[ { "path": ".github/ISSUE_TEMPLATE/new-issue-.md", "content": "---\nname: 'New Issue '\nabout: Create a report to help us improve\ntitle: ''\nlabels: ''\nassignees: ''\n\n---\n**Please Read** \nIf you have questions or problems with your CMAQ simulation please visit the CMAS User Forum for support from EPA and CMAS scientists: **https://forum.cmascenter.org/t/please-read-before-posting/1321**\n\nIf you have identified an error in CMAQ source code or documentation please fill out and submit the form below, or, alternatively, contact us directly at CMAQ_Team@epa.gov. Thank you for your contributions to the CMAQ Community!\n\n**Description**\nA clear and concise description of the issue.\n\n**Scope and Impact**\nA description of how other users might be impacted by this issue.\n\n**Solution**\nIs there a known solution for the issue? If so, how/when will it be shared with other users. \n\n**Additional context**\nAdd any other context about the problem here.\n" }, { "path": ".github/PULL_REQUEST_TEMPLATE.md", "content": "**Contact:** \nDevelopers name and affiliation \n\n**Type of code change:** \nFor example, bug fix, enhancement, new feature, documentation.\n\n**Description of changes:** \nClear and concise description of the problem, solution, and required changes. \n\n**Issue:** \nIf this resolves a known issue, include the link to the GitHub Issue number. \n\n**Summary of Impact:** \nPlease state whether this update changes the results of the core model predictions in terms of concentration, deposition, etc. \nPlease state the approximate impact this update has on model runtime, if any. \n\n**Tests conducted:** \nDescribe tests that were conducted including domain and time period (e.g. BLDCHECK; June 1-2 2016 SEBENCH; Jan 2017 12US1) and results of the tests. Include plots of relevant results. \n" }, { "path": ".gitignore", "content": "# general files to ignore\n\n### Fortran ###\n# Prerequisites\n*.d\n\n# Compiled Object files\n*.slo\n*.lo\n*.o\n*.obj\n\n# Precompiled Headers\n*.gch\n*.pch\n\n# Compiled Dynamic libraries\n*.so\n*.dylib\n*.dll\n\n# Fortran module files\n*.mod\n*.smod\n\n# Compiled Static libraries\n*.lai\n*.la\n*.a\n*.lib\n\n# Executables\n*.exe\n*.out\n*.app\n\n#archives\n*.tar\n*.gz\n\n#temporary files\n*.swp\n*~\n\n#library symbolic links\nlib/\n\n#file unique to repository\nCTM_LOG*\nBLD*\n*.log\n*_bak\nBLDMAKE*\nCHEMMECH*\nJPROC_*\nICON_*\nBCON_*\nUTIL/chemmech/input\nUTIL/chemmech/output\nUTIL/create_ebi/output\nUTIL/create_ebi/input\nUTIL/inline_phot_preproc/output\nUTIL/inline_phot_preproc/input\nUTIL/inline_phot_preproc/bldrun.log\n\n#user specific scripts\n/scripts/\n\n\n#unique to user; below section unlikely to add and commit to repository\nbldit_project.csh\n\n\n" }, { "path": "CCTM/README.md", "content": "CMAQ Chemistry Transport Model (CCTM)\n========\n\n## Overview\nCCTM is the Eulerian chemistry and transport component of CMAQ. It uses input data produced by the other CMAQ programs and from meteorological and emissions models. CCTM produces multiple output files for each simulation. The basic CCTM outputs include instantaneous and average hourly concentration files, wet and dry deposition files, and visibility estimates. Other CCTM outputs can include diagnostic aerosol and cloud files and processes analysis files.\n\nCCTM contains several science configurations for simulating transport, chemistry, and deposition. All of the science configuration options in CCTM, such as the chemical mechanism to be used, are set when compiling the executable. The model grid and vertical layer structure for CCTM are set at execution. The important distinction between selecting the science configuration and the model grid/layer configuration is that CCTM does not need to be recompiled when changing model grids/layers but does need to be recompiled when new science options are invoked.\n\nOptional output files are created when their associated processes are invoked in CCTM. For example, when CCTM is compiled with process analysis turned on, additional output files are created.\n\nCCTM includes options for the in-line processing of emissions and photolysis rates. In-line refers to the handling of processes that had previously been accomplished outside of CCTM, such as emissions processing with SMOKE, with algorithms internal to CCTM. The benefits of in-line emissions processing include the integration of higher time-resolution meteorology in the computation of biogenic emissions and plume rise from point sources and the avoidance of the large data storage burden required for emissions data. The benefit of in-line photolysis rate calculations is the inclusion of predicted gas and aerosol concentrations in the rate calculations.\n\nBoth in-line emissions and photolysis are invoked through compile-time configuration options for CCTM. When CCTM is instrumented for in-line emissions calculations, a series of additional input files and environment variables are required at execution. The details of these additional inputs are provided below. In-line photolysis does not require any additional inputs as CCTM includes all of the photolysis rate data internal to the in-line instrumented version of the model.\n\n## Directories\n* **scripts**: build and run scripts\n* **src**: model source code\n\n## Documentation\n* CMAQ Science Options are discussed in [Chapter 6 of the User's Guide](../DOCS/Users_Guide/CMAQ_UG_ch06_model_configuration_options.md).\n* Description of CCTM environment variables are provided in comments in the CCTM build and run scripts and as well as [Appendix A of the User's Guide](../DOCS/Users_Guide/Appendix/CMAQ_UG_appendixA_model_options.md).\n" }, { "path": "CCTM/scripts/bldit_cctm.csh", "content": "#!/bin/csh -f\n\n# ======================= CCTMv5.5.X Build Script ========================= \n# Usage: bldit_cctm.csh >&! bldit.cctm.log \n# Requirements: I/O API & netCDF libraries, a Fortran compiler, \n# and MPI for multiprocessor computing \n#\n# To report problems or request help with this script/program: \n# http://www.cmascenter.org\n# ========================================================================= \n\n#> Set Compiler Identity by User Input: Options -> intel | pgi | gcc\n if ( $#argv == 1 ) then\n setenv compiler $argv[1]\n setenv compilerVrsn Empty\n else if ( $#argv == 2 ) then\n #> Compiler Name and Version have been provided\n setenv compiler $1\n setenv compilerVrsn $2\n else\n echo \"usage: $0 \"\n echo \" where is intel, pgi or gcc\"\n exit(2)\n endif\n \n#> Source the config.cmaq file to set the build environment\n cd ../..\n source ./config_cmaq.csh\n\n set echo\n\n# =======================================================================\n#> Begin User Input Section\n# =======================================================================\n\n#> Source Code Locations\n setenv CCTM_SRC ${CMAQ_REPO}/CCTM/src #> location of the CCTM source code\n set GlobInc = $CCTM_SRC/ICL #> location of the global include files\n set Mechs = $CCTM_SRC/MECHS #> location of the chemistry mechanism include files\n setenv REPOROOT $CCTM_SRC\n\n#> Controls for managing the source code and MPI compilation\nset CompileBLDMAKE #> Recompile the BLDMAKE utility from source\n #> comment out to use an existing BLDMAKE executable\nset CopySrc #> copy the source files into the build directory\n#set CopySrcTree #> copy the source files and directory tree into the build directory\n#set MakeFileOnly #> uncomment to build a Makefile, but do not compile; \n #> comment out to compile the model (default if not set)\n#set build_mech #> uncomment to build mechanism source code files using the \n #> chemmech utility.\n\n#> Below are chemmech options for revising the mechanism definitions file. The option needs information on the\n#> composition of each chemistry. See UTIL/chemmech/README.md for more information.\n#> Uncomment to use.\n#> Rewrite reactions by appending them with changes in tracked atoms or elements from reactants to products\n #setenv COMPUTE_DELTA_ATOMS F\n#> The species namelist contains the composition information as comments at the end of lines defining species.\n#> Note that if a defining line does not have an ending comment, the species is taken to have none of the tacked atoms.\n#> If NAMELISTS_LIST_ATOMS equals F, an additional ASCII file contains the information.\n #setenv NAMELISTS_LIST_ATOMS T\n\n#set clobber_mech #> when commented, the bldit_mech.csh script will halt if \n #> newly created mechanism files are attempting replace\n #> existing ones. When uncommented, the existing files\n #> will be overwritten.\nset ParOpt #> uncomment to build a multiple processor (MPI) executable; \n #> comment out for a single processor (serial) executable\n#set DistrEnv #> uncomment to distribute environmental variables to multiple machines\n #> comment out for a single processor (serial) executable (MPI only)\n#set build_parallel_io #> uncomment to build with parallel I/O (pnetcdf); \n #> comment out to use standard netCDF I/O\n#set Debug_CCTM #> uncomment to compile CCTM with debug option equal to TRUE\n #> comment out to use standard, optimized compile process\nset make_options = \"-j\" #> additional options for make command if MakeFileOnly is not set\n #> comment out if no additional options are wanted.\n\n#> Integrated Source Apportionment Method (ISAM)\n#set ISAM_CCTM #> uncomment to compile CCTM with ISAM activated\n #> comment out to use standard process\n\n#set DDM3D_CCTM #> uncomment to compile CCTM with DDM-3D activated\n #> comment out to use standard process\n#> Two-way WRF-CMAQ \n#set build_twoway #> uncomment to build WRF-CMAQ twoway; \n #> comment out for off-line chemistry \n\n#> Working directory and Version IDs\n if ( $?ISAM_CCTM ) then\n set VRSN = v55_ISAM #> model configuration ID for CMAQ_ISAM\n else if ( $?DDM3D_CCTM ) then\n set VRSN = v55_DDM3D #> model configuration ID for CMAQ_DDM\n else\n set VRSN = v55 #> model configuration ID for CMAQ\n endif\n \n set EXEC = CCTM_${VRSN}.exe #> executable name\n set CFG = CCTM_${VRSN}.cfg #> configuration file name\n\n if ( $?build_twoway ) then # WRF Version used for WRF-CMAQ Model (must be v4.4+)\n set WRF_VRSN = v4.4\n endif \n\n#========================================================================\n#> CCTM Science Modules\n#========================================================================\n#> NOTE: For the modules with multiple options, a note is \n#> provided on where to look in the CCTM source code \n#> archive for a list of the possible settings. Users \n#> may also refer to the CMAQ documentation.\n\n set ModGrid = grid/cartesian #> grid configuration module \n \n set DepMod = m3dry #> m3dry or stage\n#set DepMod = stage\n set ModAdv = wrf_cons #> 3-D Advection Scheme [Options: wrf_cons (default), local_cons]\n set ModHdiff = hdiff/multiscale #> horizontal diffusion module\n set ModVdiff = vdiff/acm2_${DepMod} #> vertical diffusion module (see $CMAQ_MODEL/CCTM/src/vdiff)\n set ModDepv = depv/${DepMod} #> deposition velocity calculation module \n #> (see $CMAQ_MODEL/CCTM/src/depv)\n set ModEmis = emis/emis #> in-line emissions module\n set ModBiog = biog/beis4 #> BEIS4 in-line emissions module \n\n set ModMegBiog = biog/megan3 #> MEGAN3 in-line emissions module\n\n set ModPlmrs = plrise/smoke #> in-line emissions plume rise\n set ModCgrds = spcs/cgrid_spcs_nml #> chemistry species configuration module \n #> (see $CMAQ_MODEL/CCTM/src/spcs)\n set ModPhot = phot/inline #> photolysis calculation module \n #> (see $CMAQ_MODEL/CCTM/src/phot)\n\n setenv Mechanism cb6r5_ae7_aq #> chemical mechanism (see $CMAQ_MODEL/CCTM/src/MECHS) \n set ModMech = MECHS/${Mechanism}\n\n if ( ${Mechanism} =~ *ae7* ) then #> ae7 family of aero and cloud chem\n set ModAero = aero/aero7 # > aerosol chemistry module (see $CMAQ_MODEL/CCTM/src/aero)\n set ModCloud = cloud/acm_ae7 # > cloud chemistry module (see $CMAQ_MODEL/CCTM/src/cloud)\n else if ( ${Mechanism} =~ *ae6* ) then #> ae6 family of aero and cloud chem\n set ModAero = aero/aero6 # > aerosol chemistry module (see $CMAQ_MODEL/CCTM/src/aero)\n set ModCloud = cloud/acm_ae6 # > cloud chemistry module (see $CMAQ_MODEL/CCTM/src/cloud)\n else if ( ${Mechanism} =~ *cracmm* ) then #> CRACMM family of aero and cloud chem\n set ModAero = aero/cracmm # > aerosol chemistry module (see $CMAQ_MODEL/CCTM/src/aero)\n set ModCloud = cloud/acm_cracmm # > cloud chemistry module (see $CMAQ_MODEL/CCTM/src/cloud)\n endif\n\n # Special cloud modules for kmt versions\n if( ${Mechanism} == cb6r5_ae7_aqkmt2 ) then\n set ModCloud = cloud/acm_ae7_kmt2\n else if( ${Mechanism} == saprc07tic_ae7i_aqkmt2 ) then\n set ModCloud = cloud/acm_ae7_kmt2\n endif\n\n # Gas chem solver\n if ( ${Mechanism} == cb6r5m_ae7_aq ) then #> Gas-phase chemistry solver options ($CMAQ_MODEL/CCTM/src/gas)\n setenv ChemSolver ros3 #> ros3 (or smvgear) are system independent\n else \n setenv ChemSolver ebi #> [ default for most mechanisms: ebi ]\n endif\n \n if ( $ChemSolver == ebi ) then \n set ModGas = gas/${ChemSolver}_${Mechanism}\n \n else\n set ModGas = gas/${ChemSolver}\n endif\n \n set ModUtil = util/util #> CCTM utility modules\n set ModDiag = diag #> CCTM diagnostic modules\n set Tracer = trac0 #> tracer configuration directory under \n #> $CMAQ_MODEL/CCTM/src/MECHS [ default: no tracer species ]\n set ModPa = procan/pa #> CCTM process analysis\n set ModPvO3 = pv_o3 #> potential vorticity from the free troposphere\n set ModISAM = isam #> CCTM Integrated Source Apportionment Method\n set ModDDM3D = ddm3d #> Decoupled Direct Method in 3D\n set ModDegrade = reactive_tracers #> Linear Chemical Loss for a fixed set of species treated as reactive tracers\n\n#============================================================================================\n#> Computing System Configuration:\n#> Most of these settings are done in config.cmaq\n#============================================================================================\n\n setenv FC ${myFC} #> path of Fortan compiler; set in config.cmaq\n set FP = $FC #> path of Fortan preprocessor; set in config.cmaq\n set CC = ${myCC} #> path of C compiler; set in config.cmaq\n setenv BLDER ${CMAQ_HOME}/UTIL/bldmake/bldmake_${compilerString}.exe #> name of model builder executable\n\n#> Libraries/include files\n#set LIOAPI = \"${IOAPI_DIR}/lib ${ioapi_lib}\" #> I/O API library directory\n#set IOAPIMOD = \"${IOAPI_DIR}/include\" #> I/O API module directory\n set NETCDF = \"${NETCDF_DIR}/lib ${netcdf_lib}\" #> netCDF C library directory\n set NETCDFF = \"${NETCDFF_DIR}/lib ${netcdff_lib}\" #> netCDF Fortran library directory\n set PNETCDF = \"${PNETCDF_DIR}/lib ${pnetcdf_lib}\" #> Parallel netCDF library directory\n#set PIO_INC = \"${IOAPI_DIR}/src\"\n\n#> Compiler flags set in config.cmaq\n set FSTD = \"${myFSTD}\"\n set DBG = \"${myDBG}\"\n setenv F_FLAGS \"${myFFLAGS}\" #> F77 flags\n set F90_FLAGS = \"${myFRFLAGS}\" #> F90 flags\n set CPP_FLAGS = \"\" #> Fortran preprocessor flags\n set C_FLAGS = \"${myCFLAGS} -DFLDMN -I\" #> C flags\n set LINK_FLAGS = \"${myLINK_FLAG}\" # Link flags\n\n\n#============================================================================================\n#> Implement User Input\n#============================================================================================\n\n#> Check for CMAQ_REPO and CMAQ_LIB settings:\n if ( ! -e $CMAQ_REPO || ! -e $CMAQ_LIB ) then\n echo \" $CMAQ_REPO or $CMAQ_LIB directory not found\"\n exit 1\n endif\n echo \" Model repository base path: $CMAQ_REPO\"\n echo \" library path: $CMAQ_LIB\"\n\n#> If $CMAQ_MODEL is not set, default to $CMAQ_REPO\n if ( $?CMAQ_MODEL ) then\n echo \" Model repository path: $CMAQ_MODEL\"\n else\n setenv CMAQ_MODEL $CMAQ_REPO\n echo \" default Model repository path: $CMAQ_MODEL\"\n endif\n\n#> This script was written for Linux hosts only. If\n#> the host system is not Linux, produce an error and stop\n set BLD_OS = `uname -s` \n if ($BLD_OS != 'Linux') then\n echo \" $BLD_OS -> wrong bldit script for host!\"\n exit 1\n endif\n\n#> If the two-way, coupled WRF-CMAQ model is being built,\n#> then just generate the Makefile. Don't compile.\n if ( $?build_twoway ) then\n set MakeFileOnly \n set ModTwoway = twoway\n endif\n\n#> If parallel-io is selected, then make sure the multiprocessor\n#> option is also set.\n if ( $?build_parallel_io ) then\n if ( ! $?ParOpt ) then\n echo \"*** ParOpt is not set: required for the build_parallel_io option\"\n exit 1\n endif\n set PIO = ( -Dparallel_io )\n else\n set PIO = \"\"\n endif\n\n if ($DepMod == m3dry) then\n set cpp_depmod = '-Dm3dry_opt'\n else if ($DepMod == stage) then\n set cpp_depmod = '-Dstage_opt'\n if ( $?DDM3D_CCTM ) then\n echo \"*** DDM3D is not compatible with the STAGE deposition model\"\n exit 1\n endif\n endif\n\n#> Set variables needed for multiprocessor and serial builds\n if ( $?ParOpt ) then \n #Multiprocessor system configuration\n echo \" Parallel; set MPI flags\"\n set ModStenex = STENEX/se\n set ModPario = PARIO\n set ModPar = par/mpi\n set PARIO = ${CMAQ_MODEL}/PARIO\n set STENEX = ${CMAQ_MODEL}/STENEX\n # MPI_INC is set in config.cmaq\n # set PIO_INC = \"${IOAPI_DIR}/src/fixed_src\"\n set PAR = ( -Dparallel )\n set Popt = SE\n set seL = se_snl\n set LIB2 = \"${ioapi_lib}\"\n set LIB3 = \"${mpi_lib} ${extra_lib}\"\n set Str1 = (// Parallel / Include message passing definitions)\n set Str2 = (include SUBST_MPI mpif.h;)\n # Distribute Environment to different machines if not done automatically \n if ( $?DistrEnv ) then\n set PAR = ($PAR -Dcluster) \n endif\n else\n #Serial system configuration\n echo \" Not Parallel; set Serial (no-op) flags\"\n set ModStenex = STENEX/noop\n set ModPar = par/par_noop\n set PARIO = \".\"\n set STENEX = ${CMAQ_MODEL}/STENEX/noop\n set MPI_INC = \".\"\n # set PIO_INC = \".\"\n set PAR = \"\"\n set Popt = NOOP\n set seL = sef90_noop\n set LIB2 = \"${ioapi_lib} ${extra_lib}\"\n set Str1 =\n set Str2 =\n endif \n\n#> if DDM-3D is set, add the pre-processor flag for it.\n if ( $?DDM3D_CCTM ) then\n set SENS = ( -Dsens )\n else\n set SENS = \"\"\n endif\n \n#> Build Mechanism Files and instruct build-make to look\n#> in the CHEMMECH output folder for the files\n if ( $?build_mech ) then\n\n # Note: modifying existing or creating new chemical mechanisms\n # can lead to unstable or highly inaccurate representations of \n # atmospheric chemical predictions when applying the EBI solvers.\n # EBI solvers are highly characterized and tested before \n # application. The CMAQ development team recommends using the \n # generalized solvers, Rosenbrock or Gear, with user-defined\n # mechanisms.\n\n # Because the bldit_cctm script is executing the bldit_mech\n # processor, we will assume that the source location for the new \n # mechanism files is in the CMAQ repo. There will also be an \n # error check for overwriting an existing mechanism that can be\n # disabled using the mech_clobber variable above.\n setenv MECH_SRC ${CMAQ_REPO}/CCTM/src/${ModMech}\n setenv TRAC_NML ${CMAQ_REPO}/CCTM/src/MECHS/trac0/Species_Table_TR_0.nml\n setenv MECH_OUT ${CMAQ_REPO}/CCTM/src/${ModMech}\n setenv EBI_SOLVER_OUT ${CMAQ_REPO}/CCTM/src/${ModGas}\n if ( $?clobber_mech ) then\n setenv CLOBBER_MECH TRUE\n else\n setenv CLOBBER_MECH FALSE\n endif\n\n cd ${CMAQ_HOME}/CCTM/scripts\n ./bldit_mech.csh ${compiler} ${compilerVrsn}\n if ( $? != 0 ) then\n echo \"\"\n echo \"bldit_mech did not finish correctly --> Build Process Halted\"\n exit 1\n endif\n endif\n\n#> Tracer configuration files\n set ModTrac = MECHS/$Tracer\n\n#> Set and create the \"BLD\" directory for checking out and compiling \n#> source code. Move current directory to that build directory.\n if ( $?Debug_CCTM ) then\n set Bld = $CMAQ_HOME/CCTM/scripts/BLD_CCTM_${VRSN}_${compilerString}_${Mechanism}_${DepMod}_debug\n else\n set Bld = $CMAQ_HOME/CCTM/scripts/BLD_CCTM_${VRSN}_${compilerString}_${Mechanism}_${DepMod}\n endif\n\n\n if ( ! -e \"$Bld\" ) then\n mkdir $Bld\n else\n if ( ! -d \"$Bld\" ) then\n echo \" *** target exists, but not a directory ***\"\n exit 1\n endif\n endif\n cd $Bld\n\n#> Set locations for the include files of various modules\n set ICL_PAR = $GlobInc/fixed/mpi \n set ICL_CONST = $GlobInc/fixed/const \n set ICL_FILES = $GlobInc/fixed/filenames\n set ICL_EMCTL = $GlobInc/fixed/emctrl\n#set ICL_PA = $GlobInc/procan/$PAOpt\n\n #Test with xlib commented out\n if ( $?ParOpt ) then\n set ICL_MPI = . #$xLib_Base/$xLib_3\n endif\n\n\n#> If the source code is being copied to the build directory,\n#> then move the include files as well and direct the Makefile\n#> to the current directory.\n if ( $?CopySrc ) then\n /bin/cp -fp ${ICL_PAR}/* ${Bld}\n /bin/cp -fp ${ICL_CONST}/* ${Bld}\n /bin/cp -fp ${ICL_FILES}/* ${Bld}\n /bin/cp -fp ${ICL_EMCTL}/* ${Bld}\n #/bin/cp -fp ${ICL_PA}/* ${Bld}\n if ( $?ParOpt ) then\n /bin/cp -fp ${ICL_MPI}/mpif.h ${Bld}\n endif\n\n set ICL_PAR = .\n set ICL_CONST = .\n set ICL_FILES = .\n set ICL_EMCTL = .\n #set ICL_PA = .\n if ( $?ParOpt ) then\n set ICL_MPI = .\n endif\n endif\n\n\n set STX1 = ( -DSUBST_BARRIER=${Popt}_BARRIER\\\n -DSUBST_GLOBAL_MAX=${Popt}_GLOBAL_MAX\\\n -DSUBST_GLOBAL_MIN=${Popt}_GLOBAL_MIN\\\n -DSUBST_GLOBAL_MIN_DATA=${Popt}_GLOBAL_MIN_DATA\\\n -DSUBST_GLOBAL_TO_LOCAL_COORD=${Popt}_GLOBAL_TO_LOCAL_COORD\\\n -DSUBST_GLOBAL_SUM=${Popt}_GLOBAL_SUM\\\n -DSUBST_GLOBAL_LOGICAL=${Popt}_GLOBAL_LOGICAL\\\n -DSUBST_GLOBAL_GATHER=${Popt}_GLOBAL_GATHER\\\n -DSUBST_GLOBAL_BCAST=${Popt}_GLOBAL_BCAST\\\n -DSUBST_LOOP_INDEX=${Popt}_LOOP_INDEX\\\n -DSUBST_SUBGRID_INDEX=${Popt}_SUBGRID_INDEX )\n set STX2 = ( -DSUBST_HI_LO_BND_PE=${Popt}_HI_LO_BND_PE\\\n -DSUBST_SUM_CHK=${Popt}_SUM_CHK\\\n -DSUBST_SE_INIT=${Popt}_INIT\\\n -DSUBST_INIT_ARRAY=${Popt}_INIT_ARRAY\\\n -DSUBST_COMM=${Popt}_COMM\\\n -DSUBST_MY_REGION=${Popt}_MY_REGION\\\n -DSUBST_SLICE=${Popt}_SLICE\\\n -DSUBST_GATHER=${Popt}_GATHER\\\n -DSUBST_DATA_COPY=${Popt}_DATA_COPY\\\n -DSUBST_IN_SYN=${Popt}_IN_SYN )\n\n\n#> 3-D Advection Options\n if ( $ModAdv == wrf_cons ) then\n set ModCpl = couple/gencoor_wrf_cons #> unit conversion and concentration coupling module \n #> (see $CMAQ_MODEL/CCTM/src/couple)\n set ModHadv = hadv/ppm #> horizontal advection module \n set ModVadv = vadv/wrf_cons #> Vertical advection module \n else if ($ModAdv == local_cons) then\n set ModCpl = couple/gencoor_local_cons #> unit conversion and concentration coupling module \n #> (see $CMAQ_MODEL/CCTM/src/couple)\n set ModHadv = hadv/ppm #> horizontal advection module\n set ModVadv = vadv/local_cons #> Vertical advection module\n endif\n\n # Retrieve git repository sha ID for this source code version\n set shaID = `git --git-dir=${CMAQ_REPO}/.git rev-parse --short=10 HEAD`\n if ( $? != 0 ) then\n set shaID = \"not_a_repo\"\n endif\n\n# ============================================================================\n#> Create Config File \n# ============================================================================\n\nset Cfile = ${Bld}/${CFG}.bld # Config Filename\n set quote = '\"'\n\n echo > $Cfile\n if ( $?make_options ) then\n echo \"make_options $quote$make_options$quote;\" >> $Cfile\n echo >> $Cfile\n endif\n echo \"model $EXEC;\" >> $Cfile\n echo >> $Cfile\n echo \"repo $CCTM_SRC;\" >> $Cfile\n echo >> $Cfile\n echo \"sha_ID $shaID;\" >> $Cfile\n echo >> $Cfile\n echo \"mechanism $Mechanism;\" >> $Cfile\n echo >> $Cfile\n echo \"lib_base $CMAQ_LIB;\" >> $Cfile\n echo >> $Cfile\n echo \"lib_1 ioapi/lib;\" >> $Cfile\n echo >> $Cfile\n echo \"lib_2 ioapi/include_files;\" >> $Cfile\n echo >> $Cfile\n if ( $?ParOpt ) then\n echo \"lib_3 ${quote}mpi -I.$quote;\" >> $Cfile\n echo >> $Cfile\n endif\n echo >> $Cfile\n echo \"lib_4 ioapi/lib;\" >> $Cfile\n echo >> $Cfile\n set text = \"$quote$CPP_FLAGS $PAR $SENS $PIO $cpp_depmod $STX1 $STX2$quote;\"\n echo \"cpp_flags $text\" >> $Cfile\n echo >> $Cfile\n echo \"f_compiler $FC;\" >> $Cfile\n echo >> $Cfile\n echo \"fstd $quote$FSTD$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"dbg $quote$DBG$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"f_flags $quote$F_FLAGS$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"f90_flags $quote$F90_FLAGS$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"c_compiler $CC;\" >> $Cfile\n echo >> $Cfile\n echo \"c_flags $quote$C_FLAGS$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"link_flags $quote$LINK_FLAGS$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"ioapi $quote$LIB2$quote; \" >> $Cfile\n echo >> $Cfile\n echo \"netcdf $quote$netcdf_lib$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"netcdff $quote$netcdff_lib$quote;\" >> $Cfile\n echo >> $Cfile\n if ( $?ParOpt ) then\n echo \"mpich $quote$LIB3$quote;\" >> $Cfile\n echo >> $Cfile\n endif\n echo \"include SUBST_PE_COMM $ICL_PAR/PE_COMM.EXT;\" >> $Cfile\n echo \"include SUBST_CONST $ICL_CONST/CONST.EXT;\" >> $Cfile\n echo \"include SUBST_FILES_ID $ICL_FILES/FILES_CTM.EXT;\" >> $Cfile\n echo \"include SUBST_EMISPRM $ICL_EMCTL/EMISPRM.EXT;\" >> $Cfile\n echo >> $Cfile\n\n if ( $?ParOpt ) then\n echo \"$Str1\" >> $Cfile\n echo \"include SUBST_MPI ./mpif.h;\" >> $Cfile\n endif\n echo >> $Cfile\n\n set text = \"stenex or se_noop\"\n echo \"// options are\" $text >> $Cfile\n echo \"Module ${ModStenex};\" >> $Cfile\n if ( $?ParOpt ) then\n set text = \"// parallel executable; stenex and pario included\"\n echo $text >> $Cfile\n echo \"Module ${ModPario};\" >> $Cfile\n else\n set text = \"serial executable; noop stenex\"\n echo $text >> $Cfile\n endif\n echo >> $Cfile\n\n set text = \"par, par_nodistr and par_noop\"\n echo \"// options are\" $text >> $Cfile\n if ( $?ParOpt ) then\n echo \"Module ${ModPar};\" >> $Cfile\n endif\n echo >> $Cfile\n\n if ( $?build_twoway ) then\n echo \"// option set for WRF-CMAQ twoway\" >> $Cfile\n echo \"Module ${ModTwoway};\" >> $Cfile\n echo >> $Cfile\n endif\n\n set text = \"driver\"\n echo \"// options are\" $text >> $Cfile\n echo \"Module driver;\" >> $Cfile\n echo >> $Cfile\n\n set text = \"cartesian\"\n echo \"// options are\" $text >> $Cfile\n echo \"Module ${ModGrid};\" >> $Cfile\n echo >> $Cfile\n\n set text = \"Init\"\n echo \"// options are\" $text >> $Cfile\n echo \"Module init;\" >> $Cfile\n echo >> $Cfile\n\n set text = \"gencoor_wrf_cons and gencoor_local_cons\"\n echo \"// options are\" $text >> $Cfile\n echo \"Module ${ModCpl};\" >> $Cfile\n echo >> $Cfile\n\n set text = \"ppm\"\n echo \"// options are\" $text >> $Cfile\n echo \"Module ${ModHadv};\" >> $Cfile\n echo >> $Cfile\n\n set text = \"wrf_cons and local_cons\"\n echo \"// options are\" $text >> $Cfile\n echo \"Module ${ModVadv};\" >> $Cfile\n echo >> $Cfile\n\n set text = \"multiscale\"\n echo \"// options are\" $text >> $Cfile\n echo \"Module ${ModHdiff};\" >> $Cfile\n echo >> $Cfile\n\n set text = \"acm2_m3dry or acm2_stage\"\n echo \"// options are\" $text >> $Cfile\n echo \"Module ${ModVdiff};\" >> $Cfile\n echo >> $Cfile\n\n set text = \"m3dry or stage\"\n echo \"// options are\" $text >> $Cfile\n echo \"Module ${ModDepv};\" >> $Cfile\n echo >> $Cfile\n\n set text = \"emis\"\n echo \"// options are\" $text >> $Cfile\n echo \"Module ${ModEmis};\" >> $Cfile\n echo >> $Cfile\n\n set text = \"beis4\"\n echo \"// options are\" $text >> $Cfile\n echo \"Module ${ModBiog};\" >> $Cfile\n echo >> $Cfile\n\n set text = \"megan3\"\n echo \"// options are\" $text >> $Cfile\n echo \"Module ${ModMegBiog};\" >> $Cfile\n echo \n\n set text = \"smoke\"\n echo \"// options are\" $text >> $Cfile\n echo \"Module ${ModPlmrs};\" >> $Cfile\n echo >> $Cfile\n\n set text = \"cgrid_spcs_nml and cgrid_spcs_icl\"\n echo \"// options are\" $text >> $Cfile\n echo \"Module ${ModCgrds};\" >> $Cfile\n echo >> $Cfile\n\n set text = \"inline and table\"\n echo \"// options are\" $text >> $Cfile\n echo \"Module ${ModPhot};\" >> $Cfile\n echo >> $Cfile\n\n set text = \"degrade\"\n echo \"// reactive_tracer options are\" $text >> $Cfile\n echo \"Module ${ModDegrade};\" >> $Cfile\n echo >> $Cfile\n\n set text = \"gas chemistry solvers\"\n echo \"// \" $text >> $Cfile\n set text = \"smvgear, ros3, and ebi; see 'gas chemistry mechanisms' for \"\n echo \"// options are\" $text >> $Cfile\n echo \"Module ${ModGas};\" >> $Cfile\n echo >> $Cfile\n\n set MechList = \"cb6r5hap_ae7_aq, cb6r3_ae7_aq, cb6r5_ae7_aq, cb6r5_ae7_aqkmt2, cb6r5m_ae7_aq, racm2_ae6_aq, saprc07tc_ae6_aq, saprc07tic_ae7i_aq, saprc07tic_ae7i_aqkmt2\"\n\n set text = \"gas chemistry mechanisms\"\n echo \"// \" $text >> $Cfile\n set text = \"$MechList\"\n echo \"// options are\" $text >> $Cfile\n echo \"Module ${ModMech};\" >> $Cfile\n echo >> $Cfile\n\n set text = \"tracer modules\"\n echo \"// \" $text >> $Cfile\n echo \"// options are trac0, trac1\" >> $Cfile\n echo \"Module ${ModTrac};\" >> $Cfile\n echo \n\n set text = \"use potential vorticity free-troposphere O3 scaling\"\n echo \"// options are\" $text >> $Cfile\n echo \"Module ${ModPvO3};\" >> $Cfile\n echo >> $Cfile\n\n set text = \"aero6\"\n echo \"// options are\" $text >> $Cfile\n echo \"Module ${ModAero};\" >> $Cfile\n echo >> $Cfile\n\n set text = \"acm_ae6, acm_ae6_kmt, acm_ae7_kmt2, acm_ae6_mp, acm_ae7\"\n echo \"// options are\" $text >> $Cfile\n echo \"Module ${ModCloud};\" >> $Cfile\n echo >> $Cfile\n\n set text = \"// compile for inline process analysis\"\n echo $text >> $Cfile\n echo \"Module ${ModPa};\" >> $Cfile\n echo >> $Cfile\n\n set text = \"// compile for integrated source apportionment method\"\n echo $text >> $Cfile\n echo \"Module ${ModISAM};\" >> $Cfile\n echo >> $Cfile\n\n if ( $?DDM3D_CCTM ) then\n set text = \"// compile for decoupled direct method in 3d\"\n echo $text >> $Cfile\n echo \"Module ${ModDDM3D};\" >> $Cfile\n echo >> $Cfile\n endif\n\n set text = \"util\"\n echo \"// options are\" $text >> $Cfile\n echo \"Module ${ModUtil};\" >> $Cfile\n echo >> $Cfile\n\n set text = \"diag\"\n echo \"// options are\" $text >> $Cfile\n echo \"Module ${ModDiag};\" >> $Cfile\n echo >> $Cfile\n\n set text = \"stm\"\n echo \"// options are\" $text >> $Cfile\n echo \"Module stm;\" >> $Cfile\n echo >> $Cfile\n\n set text = \"cio\"\n echo \"// options are\" $text >> $Cfile\n echo \"Module cio;\" >> $Cfile\n echo >> $Cfile\n\n if ( $?ModMisc ) then\n echo \"Module ${ModMisc};\" >> $Cfile\n echo >> $Cfile\n endif\n\n# ============================================================================\n#> Create Makefile and Model Executable\n# ============================================================================\n unalias mv rm\n\n#> Recompile BLDMAKE from source if requested or if it does not exist\n if ( $?CompileBLDMAKE || ! -f $BLDER ) then\n cd ${CMAQ_REPO}/UTIL/bldmake/scripts\n ./bldit_bldmake.csh\n endif\n\n#> Relocate to the BLD_* directory \n cd $Bld\n\n#> Set multiprocessor/serial options for BLDMAKE execution\n if ( $?ParOpt ) then\n set Blder = \"$BLDER -verbose\"\n else\n set Blder = \"$BLDER -serial -verbose\"\n endif\n\n#> Run BLDMAKE Utility\n set bld_flags = \"\"\n if ( $?MakeFileOnly ) then # Do not compile the Model\n set bld_flags = \"${bld_flags} -makefo\"\n endif\n\n if ( $?CopySrc ) then\n set bld_flags = \"${bld_flags}\"\n else if ( $?CopySrcTree ) then \n set bld_flags = \"${bld_flags} -co\"\n else \n set bld_flags = \"{bld_flags} -git_local\" # Run BLDMAKE with source code in \n # version-controlled git repo\n # $Cfile = ${CFG}.bld\n endif\n\n if ( $?Debug_CCTM ) then\n set bld_flags = \"${bld_flags} -debug_cctm\"\n endif\n\n if ( $?ISAM_CCTM ) then\n set bld_flags = \"${bld_flags} -isam_cctm\"\n endif\n\n if ( $?build_twoway ) then\n set bld_flags = \"${bld_flags} -twoway\"\n endif\n\n#> Run BLDMAKE with source code in build directory\n $Blder $bld_flags $Cfile \n\n#> Rename Makefile to specify compiler option and link back to Makefile\n if ( ! $?build_twoway ) then\n mv Makefile Makefile.$compilerString\n if ( -e Makefile.$compilerString && -e Makefile ) rm Makefile\n ln -s Makefile.$compilerString Makefile\n endif\n\n#> Alert user of error in BLDMAKE if it ocurred\n if ( $status != 0 ) then\n echo \" *** failure in $Blder ***\"\n exit 1\n endif\n\n#> Preserve old Config file, if it exists, before moving new one to \n#> build directory.\n if ( -e \"$Bld/${CFG}\" ) then\n echo \" >>> previous ${CFG} exists, re-naming to ${CFG}.old <<<\"\n mv $Bld/${CFG} $Bld/${CFG}.old\n endif\n mv ${CFG}.bld $Bld/${CFG}\n\n#> If a CRACMM mechanism is used and the compiler is gcc, remove trailing\n#> comments in species namelist files (or else model will not run)\n if ( ${Mechanism} =~ *cracmm* && ${compiler} == gcc ) then\n echo \" >>> removing trailing comments from species namelists <<<\"\n sed -i 's/,\\!.*/,/' $Bld/GC_${Mechanism}.nml\n sed -i 's/,\\!.*/,/' $Bld/AE_${Mechanism}.nml\n sed -i 's/,\\!.*/,/' $Bld/NR_${Mechanism}.nml\n endif\n\n#> If Building WRF-CMAQ, download WRF, download auxillary files and build\n#> model\n if ( $?build_twoway ) then\n\n#> Check if the user has git installed on their system\n git --version >& /dev/null\n \n if ($? == 0) then\n set git_check\n endif\n \n if ($?git_check) then\n\n cd $CMAQ_HOME/CCTM/scripts\n \n # Downlad WRF repository from GitHub and put CMAQv5.5 into it\n set WRF_BLD = BLD_WRF${WRF_VRSN}_CCTM_${VRSN}_${compilerString}\n setenv wrf_path ${CMAQ_HOME}/CCTM/scripts/${WRF_BLD}\n setenv WRF_CMAQ 1\n\n if ( ! -d $WRF_BLD ) then \n git clone --branch ${WRF_VRSN} https://github.com/wrf-model/WRF.git ./$WRF_BLD >& /dev/null\n cd $wrf_path\n mv $Bld ./cmaq\n \n # Configure WRF\n ./configure <&! bldit_mech.log \n# Requirements: I/O API & netCDF libraries, a Fortran compiler, \n# and MPI for multiprocessor computing \n#\n# To report problems or request help with this script/program: \n# http://www.cmascenter.org\n# ======================================================================= \n\n#> Set Compiler Identity by User Input: Options -> intel | pgi | gcc\n if ( $#argv == 1 ) then\n setenv compiler $argv[1]\n setenv compilerVrsn Empty\n else if ( $#argv == 2 ) then\n #> Compiler Name and Version have been provided\n setenv compiler $1\n setenv compilerVrsn $2\n else\n echo \"usage: $0 \"\n echo \" where is intel, pgi or gcc\"\n exit(2)\n endif\n \n#> Source the config.cmaq file to set the build environment\n cd ../..\n source ./config_cmaq.csh\n\n# =======================================================================\n#> Begin User Input Section\n# =======================================================================\n\n#> Source Code Locations \n if ( ! $?Mechanism ) then\n # Manually set name of mechanism if not inherited\n setenv Mechanism cb6r5_ae7_aq \n endif\n setenv MECH $Mechanism\n\n if ( ! $?ChemSolver ) then\n # Manually set solver approach\n setenv ChemSolver ebi #> options: ros3, smvgear, ebi\n\n # Warning: If you are building a new mechanism or modifying an existing\n # one, the ebi solver approach could very possibly encounter convergence\n # or other issues that will lead to inaccuracies. The CMAQ development\n # team recommends using one of the generalized solvers (ros3 or smvgear).\n # If you would like to use ebi anyway, please benchmark your results for\n # important constituents like O3, NO, NO2, OH etc with the generalized\n # solvers and compare your results using ebi to these benchmarks.\n endif\n\n if ( ! $?MECH_SRC ) then\n # Manually set location of input mechanism files\n setenv MECH_SRC ${CMAQ_HOME}/CCTM/scripts/${Mechanism}\n endif\n\n if ( ! $?TRAC_NML ) then\n # Manually set location of input tracer files\n setenv TRAC_NML ${CMAQ_HOME}/CCTM/scripts/${Mechanism}/Species_Table_TR_0.nml\n endif\n\n if ( ! $?MECH_OUT ) then\n # Manually set location of output mechanism files\n setenv MECH_OUT ${CMAQ_HOME}/CCTM/scripts/${Mechanism}\n endif\n\n if ( ! $?EBI_SOLVER_OUT ) then\n # Manually set location of EBI solver output files. If\n # you are using Ros3 (rosenbrock) or Smvgear, then you \n # can ignore this option\n setenv EBI_SOLVER_OUT ${CMAQ_HOME}/CCTM/scripts/ebi_${Mechanism}\n endif\n\n if ( ! $?CLOBBER_MECH ) then\n # Manually set user preference for overwriting existing mechanism\n # files. If CLOBBER_MECH is FALSE, then if files exist, the \n # program will halt.\n set CLOBBER_MECH = FALSE\n endif\n\n\n\n###################### CHEMMECH Processor #############################\n#> Build Mechanism Files and instruct build-make to look\n#> in the CHEMMECH output folder for the files\n if ( ! -e ${MECH_SRC} ) then\n echo \"bldit_mech.csh: $Mechanism input folder cannot be found. \"\n echo \" Please select a valid mechanism input location.\"\n exit 1\n endif\n if ( ! -e ${TRAC_NML} ) then\n echo \"bldit_mech.csh: ${TRAC_NML} file cannot be found. \"\n echo \" Please select a valid file.\"\n exit 1\n endif\n mkdir -p ${MECH_OUT} # Create Output Folder if it Does not Already Exist\n\n cd ${CMAQ_HOME}/UTIL/chemmech/scripts\n ./bldit_chemmech.csh $compiler\n if ( $? != 0 ) then\n echo \"CHEMMECH did not build correctly --> Build Process Halted\"\n exit 1\n endif\n \n # Copy files from MECH_SRC to the CHEMMECH input folder\n setenv CHEMMECH_INPUT ${CMAQ_HOME}/UTIL/chemmech/input/${MECH}\n mkdir -p $CHEMMECH_INPUT\n cp -f ${MECH_SRC}/* ${CHEMMECH_INPUT}/\n cp -f ${TRAC_NML} ${CHEMMECH_INPUT}/\n \n # Run CHEMMECH\n cd ${CMAQ_HOME}/UTIL/chemmech/scripts\n ./run_chemmech.csh\n if ( $? != 0 ) then\n echo \"CHEMMECH did not run correctly --> Build Process Halted\"\n exit 1\n endif\n\n # Error out if the RXNS modules weren't created\n set CHEMMECH_OUTPUT = ${CMAQ_HOME}/UTIL/chemmech/output/${MECH}\n if ( ! -e ${CHEMMECH_OUTPUT}/RXNS_DATA_MODULE.F90 \\\n || ! -e ${CHEMMECH_OUTPUT}/RXNS_FUNC_MODULE.F90 ) then\n echo \"Mechanism module not created for ${Mechanism}\"\n exit 1\n endif\n\n if ( ${CLOBBER_MECH} == 'FALSE' ) then\n # Error out if RXNS modules already exist in destination directory\n if ( -e ${MECH_OUT}/RXNS_DATA_MODULE.F90 \\\n || -e ${MECH_OUT}/RXNS_FUNC_MODULE.F90 ) then\n echo \"\"\n echo \"Mechanism files already exist in the destination directory.\"\n echo \"If you would like to overwrite them, uncomment clobber_mech\"\n echo \"if you are using the bldit_cctm script or set CLOBBER_MECH \"\n echo \"to TRUE if you are using bldit_mech stand-alone.\"\n echo \"\"\n exit 1\n endif\n endif\n \n #> Copy Files Back to Mechanism location\n cp -f ${CHEMMECH_OUTPUT}/RXNS*MODULE.F90 ${MECH_OUT}/.\n cp -f ${CHEMMECH_OUTPUT}/[A,E,G,N]*.nml ${MECH_OUT}/.\nif ( $?COMPUTE_DELTA_ATOMS ) then\n if( ${COMPUTE_DELTA_ATOMS} == \"T\" )then\n cp -f ${CHEMMECH_OUTPUT}/mech*.def ${MECH_OUT}/.\n endif\nendif\n\n#################### CSQY Photolysis Processor ##########################\n\n#> Copy Inputs to Inline Phot Preprocessor\n set CSQY_INPUT = ${CMAQ_HOME}/UTIL/inline_phot_preproc/input/${MECH}\n mkdir -p ${CSQY_INPUT}\n cp -f ${MECH_OUT}/RXNS_DATA_MODULE.F90 ${CSQY_INPUT}/.\n\n#> Build CSQY Data Table for Inline Photolysis\n cd ${CMAQ_HOME}/UTIL/inline_phot_preproc/scripts\n ./bldrun.inline_phot_preproc.csh $compiler\n if ( $? != 0 ) then\n echo \"Preparation of CSQY Table did not build or run correctly --> Build Process Halted\"\n exit 1\n endif\n\n # Error out if the CSQY Data files weren't created\n set CSQY_OUTPUT = ${CMAQ_HOME}/UTIL/inline_phot_preproc/output/${MECH}\n if ( ! -e ${CSQY_OUTPUT}/CSQY_DATA_${MECH} ) then\n echo \"CSQY_${MECH} not created\"\n exit 1\n endif\n \n if ( ${CLOBBER_MECH} == 'FALSE' ) then\n # Error out if RXNS modules already exist in destination directory\n if ( -e ${MECH_OUT}/CSQY_DATA_${MECH} ) then\n echo \"\"\n echo \"CSQY Data file already exists in the destination directory.\"\n echo \"If you would like to overwrite it, uncomment clobber_mech\"\n echo \"if you are using the bldit_cctm script or set CLOBBER_MECH \"\n echo \"to TRUE if you are using bldit_mech stand-alone.\"\n echo \"\"\n exit 1\n endif\n endif\n \n #> Copy Files Back to Mechanism Location\n cp -f ${CSQY_OUTPUT}/CSQY_DATA_${MECH} ${MECH_OUT}/.\n\n\n#################### EBI Solver Processor ##########################\n\n#> if EBI (Euler Backward-Iterative) Chemical Solver is set, build \n#> mechanism-dependent EBI files and instruct build-make to look in \n#> the create-ebi output folder for the files.\n if ( ${ChemSolver} == ebi ) then\n\n #> Copy Inputs to EBI Input Folder\n set EBI_INPUT = ${CMAQ_HOME}/UTIL/create_ebi/input/${MECH}\n mkdir -p ${EBI_INPUT}\n cp -f ${MECH_OUT}/RXNS_DATA_MODULE.F90 ${EBI_INPUT}/.\n \n # Build and Run Create_EBI\n cd ${CMAQ_HOME}/UTIL/create_ebi/scripts\n ./bldrun_create_ebi.csh $compiler\n if ( $? != 0 ) then\n echo \"CREATE_EBI did not build or run correctly --> Build Process Halted\"\n exit 1\n endif\n\n # Error Out if the EBI output files weren't created\n set EBI_OUTPUT = ${CMAQ_HOME}/UTIL/create_ebi/output/ebi_${MECH}\n if ( ! -e ${EBI_OUTPUT}/hrrates.F ) then\n echo \"EBI solver not created for ${Mechanism}\"\n exit 1\n endif\n\n mkdir -p ${EBI_SOLVER_OUT} # Create EBI Solver output folder\n\n if ( ${CLOBBER_MECH} == 'FALSE' ) then\n # Error out if RXNS modules already exist in destination directory\n if ( -e ${EBI_SOLVER_OUT}/hrrates.F ) then\n echo \"\"\n echo \"EBI solver files already exist in the destination directory.\"\n echo \"If you would like to overwrite it, uncomment clobber_mech\"\n echo \"if you are using the bldit_cctm script or set CLOBBER_MECH \"\n echo \"to TRUE if you are using bldit_mech stand-alone.\"\n echo \"\"\n exit 1\n endif\n endif\n \n # Copy EBI files to EBI_SOLVER_OUT directory\n cp -f ${EBI_OUTPUT}/hr*.F ${EBI_SOLVER_OUT}/.\n endif\n\nexit\n" }, { "path": "CCTM/scripts/isam_control.2018_12NE3.txt", "content": "!!! CMAQ-ISAM tag definition control file\n!!! (lines begining with !!! - three exclamation marks - are ignored by the text parser)!!!\n!!!\n!!! Example file provided with CMAQ v5.5 release\n!!! 14 September 2022: Sergey L. Napelenok\n!!!\n!!! The \"TAG CLASSES\" line defines the tag classes to track for the simulation. Species in NITRATE and VOC classes depend on the\n!!! the chemical mechanism used. The below definitions apply for the cb6r3_ae7_aq mechanism. These species will be tracked for\n!!! each user-defined source.\n!!! Choose any/all from the list:\n!!! SULFATE - ASO4, SO2, SULF, SULRXN\n!!! NITRATE - ANO3, HNO3, NO, NO2, NO3, HONO, N2O5, PNA, PAN, PANX, NTR1, NTR2, INTR, CLNO2, CLNO3\n!!! AMMONIUM - ANH4, NH3\n!!! EC - AEC\n!!! OA_TOT - Total Primary and Seocndary Organic Aerosol Species\n!!! NVPOA - Primary Organic Aerosol Species APOC, APNCOM\n!!! VOC - Various species depending on mechanism. Now includes CO. (see CCTM/src/isam/SA_DEFN.F for complete list)\n!!! PM_TOT - All PM Species. ACL,ANA,AMG,AK,ACA,AFE,AAL,ASI,ATI,AMN,AOTHR\n!!! and TAGCLASSES SULFATE, NITRATE, AMMONIUM, EC, OC, and VOC\n!!! PM_IONS - ANA, AMG, AK, ACA, AFE, AAL, ASI, ATI, AMN, AOTHR\n!!! OZONE - O3, all NITRATE species, and all VOC species\n!!! CHLORINE - ACL, HCL\n!!! HAP_GAS - Gas-phase Hazardous Air Pollutant Species\n!!! HAP_AERO - Aerosol-Phase Hazardous Air Pollutant Species\n!!! HAP_TOT - Total Gas and Aerosol HAPs\n!!! PAH_TEQ - Nonreactive TEQ PAH species\n!!! BENAPYRENE- BENAPY and ABENAPY\n!!! MERCURY - HG, HGIIGAS, HGIIAER, APHG\n!!! ALL - All available modeled species\n\nTAG CLASSES |SULFATE, OZONE\n\n!!! The following are source definition text blocks in the format. Provide a 3-line block for each source you want to track.\n!!! Do not assign the same source of mass in more than 1 source definition block. \n!!! TAG NAME |Three character text string (unique to each source definition)\n!!! REGION(S) |Keyword EVERYWHERE or variable names from the region file (multiple regions need to be comma delimited)\n!!! FILENAME(S) |Emissions labels (multiple labels need to be comma delimited)\n\nTAG NAME |EGU\nREGION(S) |EVERYWHERE\nEMIS STREAM(S) |PT_EGU\n\nTAG NAME |BIO\nREGION(S) |NY\nEMIS STREAM(S) |BIOG\n\nENDLIST eof \n" }, { "path": "CCTM/scripts/lonlat.csv", "content": "4 # number of lon/lat pairs that follow\n-84.5684 32.8372\n-83.1034 33.7499\n-81.603 34.6438\n-80.0667 35.5179\n" }, { "path": "CCTM/scripts/run_cctm_2018_12US1_v55_Base_STAGE_EM_CRACMM.csh", "content": "#!/bin/csh -f\n\n# ============== CCTMv5.5.X STAGE EM CRACMM 12US1 Run Script ================\n# Usage: run_cctm_2018_12US1_v54_Base_STAGE_EM_CRACMM.csh >&! cctm_2018_12US1_CRACMM.log & \n#\n# To report problems or request help with this script/program:\n# http://www.epa.gov/cmaq (EPA CMAQ Website)\n# http://www.cmascenter.org (CMAS Website)\n# =========================================================================== \n\n\n# ===================================================================\n#> Runtime Environment Options\n# ===================================================================\n\necho 'Start Model Run At ' `date`\n\n#> Toggle Diagnostic Mode which will print verbose information to \n#> standard output\n setenv CTM_DIAG_LVL 0\n\n#> Choose compiler and set up CMAQ environment with correct \n#> libraries using config.cmaq. Options: intel | gcc | pgi\n if ( ! $?compiler ) then\n setenv compiler intel\n endif\n if ( ! $?compilerVrsn ) then\n setenv compilerVrsn Empty\n endif\n\n#> Source the config.cmaq file to set the build environment\ncd ../..\nsource ./config_cmaq.csh $compiler $compilerVrsn\ncd CCTM/scripts\n\n#> Set General Parameters for Configuring the Simulation\n set VRSN = v55 #> Code Version\n set PROC = mpi #> serial or mpi\n set MECH = cracmm2 #> Mechanism ID\n set EMIS = WR705_2018gc2 #> Emission Inventory Details\n set APPL = STAGE_EM_2018_12US1 #> Application Name (e.g. Gridname)\n\n#> Define RUNID as any combination of parameters above or others. By default,\n#> this information will be collected into this one string, $RUNID, for easy\n#> referencing in output binaries and log files as well as in other scripts.\n setenv RUNID ${VRSN}_${compilerString}_${APPL}\n\n#> Set the build directory (this is where the CMAQ executable\n#> is located by default).\n set BLD = ${CMAQ_HOME}/CCTM/scripts/BLD_CCTM_${VRSN}_${compilerString}\n set EXEC = CCTM_${VRSN}.exe \n\n#> Output Each line of Runscript to Log File\n if ( $CTM_DIAG_LVL != 0 ) set echo \n\n#> Set Working, Input, and Output Directories\n\n setenv WORKDIR ${CMAQ_HOME}/CCTM/scripts #> Working Directory. Where the runscript is.\n setenv OUTDIR ${CMAQ_DATA}/output_CCTM_${RUNID} #> Output Directory\n setenv INPDIR ${CMAQ_DATA}/2018_12US1 #Input Directory\n setenv LOGDIR ${OUTDIR}/LOGS #> Log Directory Location\n setenv NMLpath ${BLD} #> Location of Namelists. Common places are: \n #> ${WORKDIR} | ${CCTM_SRC}/MECHS/${MECH} | ${BLD}\n\n echo \"\"\n echo \"Working Directory is $WORKDIR\"\n echo \"Build Directory is $BLD\"\n echo \"Output Directory is $OUTDIR\"\n echo \"Log Directory is $LOGDIR\"\n echo \"Executable Name is $EXEC\"\n\n# =====================================================================\n#> CCTM Configuration Options\n# =====================================================================\n\n#> Set Start and End Days for looping\n setenv NEW_START TRUE #> Set to FALSE for model restart\n set START_DATE = \"2018-07-01\" #> beginning date (July 1, 2018)\n set END_DATE = \"2018-07-02\" #> ending date (July 2, 2018)\n\n#> Set Timestepping Parameters\nset STTIME = 000000 #> beginning GMT time (HHMMSS)\nset NSTEPS = 240000 #> time duration (HHMMSS) for this run\nset TSTEP = 010000 #> output time step interval (HHMMSS)\n\n\n#> Horizontal domain decomposition\nif ( $PROC == serial ) then\n setenv NPCOL_NPROW \"1 1\"; set NPROCS = 1 # single processor setting\nelse\n @ NPCOL = 16; @ NPROW = 8 \n @ NPROCS = $NPCOL * $NPROW\n setenv NPCOL_NPROW \"$NPCOL $NPROW\"; \nendif\n\n#> Define Execution ID: e.g. [CMAQ-Version-Info]_[User]_[Date]_[Time]\nif ( ! -e ${BLD}/CCTM_${VRSN}.cfg ) then\n set SHAID = \"\"\nelse\n set SHAID = `grep \"sha_ID\" ${BLD}/CCTM_${VRSN}.cfg | cut -c 13-22`\n if ( $SHAID == not_a_repo ) then\n set SHAID = \"\"\n else\n set SHAID = \"_sha=\"$SHAID\n endif\nendif\nsetenv EXECUTION_ID \"CMAQ_CCTM${VRSN}_`id -u -n`_`date -u +%Y%m%d_%H%M%S_%N`\" #> Inform IO/API of the Execution ID\necho \"\"\necho \"---CMAQ EXECUTION ID: $EXECUTION_ID ---\"\n\n#> Keep or Delete Existing Output Files\nset CLOBBER_DATA = FALSE\n\n#> Logfile Options\n#> Master Log File Name; uncomment to write standard output to a log, otherwise write to screen\n#setenv LOGFILE $CMAQ_HOME/$RUNID.log \nif (! -e $LOGDIR ) then\n mkdir -p $LOGDIR\nendif\nsetenv PRINT_PROC_TIME Y #> Print timing for all science subprocesses to Logfile\n #> [ default: TRUE or Y ]\nsetenv STDOUT T #> Override I/O-API trying to write information to both the processor \n #> logs and STDOUT [ options: T | F ]\n\nsetenv GRID_NAME 12US1 #> check GRIDDESC file for GRID_NAME options\nsetenv GRIDDESC ${INPDIR}/GRIDDESC #> grid description file\n\n#> Retrieve the number of columns, rows, and layers in this simulation\nset NZ = 35\nset NX = `grep -A 1 ${GRID_NAME} ${GRIDDESC} | tail -1 | sed 's/ */ /g' | cut -d' ' -f6`\nset NY = `grep -A 1 ${GRID_NAME} ${GRIDDESC} | tail -1 | sed 's/ */ /g' | cut -d' ' -f7`\nset NCELLS = `echo \"${NX} * ${NY} * ${NZ}\" | bc -l`\n\n#> Output Species and Layer Options\n #> CONC file species; comment or set to \"ALL\" to write all species to CONC\n setenv CONC_SPCS \"CO SO2 O3 NO ANO3I ANO3J NO2 NO3 HNO3 ISO GLY NH3 ANH4I ANH4J ASO4I ASO4J\"\n setenv CONC_BLEV_ELEV \" 1 1\" #> CONC file layer range; comment to write all layers to CONC\n\n #> ACONC file species; comment or set to \"ALL\" to write all species to ACONC\n #setenv AVG_CONC_SPCS \"O3 NO CO NO2 ASO4I ASO4J NH3\" \n setenv AVG_CONC_SPCS \"ALL\" \n setenv ACONC_BLEV_ELEV \" 1 1\" #> ACONC file layer range; comment to write all layers to ACONC\n setenv AVG_FILE_ENDTIME N #> override default beginning ACONC timestamp [ default: N ]\n\n#> Synchronization Time Step and Tolerance Options\nsetenv CTM_MAXSYNC 300 #> max sync time step (sec) [ default: 720 ]\nsetenv CTM_MINSYNC 60 #> min sync time step (sec) [ default: 60 ]\nsetenv SIGMA_SYNC_TOP 0.7 #> top sigma level thru which sync step determined [ default: 0.7 ] \n#setenv ADV_HDIV_LIM 0.95 #> maximum horiz. div. limit for adv step adjust [ default: 0.9 ]\nsetenv CTM_ADV_CFL 0.95 #> max CFL [ default: 0.75]\n#setenv RB_ATOL 1.0E-09 #> global ROS3 solver absolute tolerance [ default: 1.0E-07 ] \n\n#> Science Options\nsetenv CTM_OCEAN_CHEM Y #> Flag for ocean halogen chemistry and sea spray aerosol emissions [ default: Y ]\n\nsetenv CTM_WB_DUST N #> use inline windblown dust emissions [ default: Y ]\nsetenv CTM_LTNG_NO Y #> turn on lightning NOx [ default: N ]\nsetenv KZMIN Y #> use Min Kz option in edyintb [ default: Y ], \n #> otherwise revert to Kz0UT\nsetenv PX_VERSION Y #> WRF PX LSM\nsetenv CLM_VERSION N #> WRF CLM LSM\nsetenv NOAH_VERSION N #> WRF NOAH LSM\nsetenv CTM_ABFLUX Y #> ammonia bi-directional flux for in-line deposition \n #> velocities [ default: N ]\nsetenv CTM_BIDI_FERT_NH3 T #> subtract fertilizer NH3 from emissions because it will be handled\n #> by the BiDi calculation [ default: Y ]\nsetenv CTM_HGBIDI N #> mercury bi-directional flux for in-line deposition \n #> velocities [ default: N ]\nsetenv CTM_SFC_HONO Y #> surface HONO interaction [ default: Y ]\n #> please see user guide (6.10.4 Nitrous Acid (HONO))\n #> for dependency on percent urban fraction dataset\nsetenv CTM_GRAV_SETL Y #> vdiff aerosol gravitational sedimentation [ default: Y ]\nsetenv CTM_PVO3 N #> consider potential vorticity module for O3 transport from the stratosphere\n #> [default: N]\n\n\nsetenv CTM_BIOGEMIS_BE Y #> calculate in-line biogenic emissions with BEIS [ default: N ]\nsetenv CTM_BIOGEMIS_MG N #> turns on MEGAN biogenic emission [ default: N ]\nsetenv BDSNP_MEGAN N #> turns on BDSNP soil NO emissions [ default: N ]\n\nsetenv AEROSOL_OPTICS 3 #> sets method for determining aerosol optics affecting photolysis\n #> frequencies ( 3 is the default value )\n #> VALUES 1 thru 3 determined Uniformly Volume Mixed spherical\n #> (1-Tabular Mie; 2-Mie Calculation; 3-Case Approx to Mie Theory)\n #> VALUES 4 thru 6 attempts to use core-shell mixing model when the\n #> aerosol mode has signficant black carbon core otherwise use Volume Mixed\n #> model where optics determined by\n #> (4-Tabular Mie; 5-Mie Calculation; 6-Case Approx to Mie Theory)\n\nsetenv IC_AERO_M2WET F #> Specify whether or not initial condition aerosol size distribution\n #> is wet or dry [ default: F = dry ]\nsetenv BC_AERO_M2WET F #> Specify whether or not boundary condition aerosol size distribution\n #> is wet or dry [ default: F = dry ]\nsetenv IC_AERO_M2USE T #> Specify whether or not to use aerosol surface area from initial\n #> conditions [ default: T = use aerosol surface area ]\nsetenv BC_AERO_M2USE T #> Specify whether or not to use aerosol surface area from boundary\n #> conditions [ default: T = use aerosol surface area ]\n\n\n#> Surface Tiled Aerosol and Gaseous Exchange Options\n#> Only active if DepMod=stage at compile time\nsetenv CTM_MOSAIC N #> Output landuse specific deposition velocities [ default: N ]\nsetenv CTM_STAGE_P22 N #> Pleim et al. 2022 Aerosol deposition model [default: N]\nsetenv CTM_STAGE_E20 Y #> Emerson et al. 2020 Aerosol deposition model [default: Y]\nsetenv CTM_STAGE_S22 N #> Shu et al. 2022 (CMAQ v5.3) Aerosol deposition model [default: N]\n\n\n#> Vertical Extraction Options\nsetenv VERTEXT N\nsetenv VERTEXT_COORD_PATH ${WORKDIR}/lonlat.csv\n\n#> I/O Controls\nsetenv IOAPI_LOG_WRITE F #> turn on excess WRITE3 logging [ options: T | F ]\nsetenv FL_ERR_STOP N #> stop on inconsistent input files\nsetenv PROMPTFLAG F #> turn on I/O-API PROMPT*FILE interactive mode [ options: T | F ]\nsetenv IOAPI_OFFSET_64 YES #> support large timestep records (>2GB/timestep record) [ options: YES | NO ]\nsetenv IOAPI_CHECK_HEADERS N #> check file headers [ options: Y | N ]\nsetenv CTM_EMISCHK N #> Abort CMAQ if missing surrogates from emissions Input files\n\n#> Diagnostic Output Flags\nsetenv CTM_CKSUM Y #> checksum report [ default: Y ]\nsetenv CLD_DIAG N #> cloud diagnostic file [ default: N ]\n\nsetenv CTM_PHOTDIAG Y #> photolysis diagnostic file [ default: N ]\nsetenv NLAYS_PHOTDIAG \"1\" #> Number of layers for PHOTDIAG2 and PHOTDIAG3 from \n #> Layer 1 to NLAYS_PHOTDIAG [ default: all layers ] \n#setenv NWAVE_PHOTDIAG \"294 303 310 316 333 381 607\" #> Wavelengths written for variables\n #> in PHOTDIAG2 and PHOTDIAG3 \n #> [ default: all wavelengths ]\n\nsetenv CTM_SSEMDIAG N #> sea-spray emissions diagnostic file [ default: N ]\nsetenv CTM_DUSTEM_DIAG N #> windblown dust emissions diagnostic file [ default: N ]; \n #> Ignore if CTM_WB_DUST = N\nsetenv CTM_DEPV_FILE N #> deposition velocities diagnostic file [ default: N ]\nsetenv VDIFF_DIAG_FILE N #> vdiff & possibly aero grav. sedimentation diagnostic file [ default: N ]\nsetenv LTNGDIAG N #> lightning diagnostic file [ default: N ]\nsetenv B3GTS_DIAG N #> BEIS mass emissions diagnostic file [ default: N ]\nsetenv CTM_WVEL Y #> save derived vertical velocity component to conc\n #> file [ default: Y ]\n\n\n# =====================================================================\n#> Input Directories and Filenames\n# =====================================================================\n\nset ICpath = $INPDIR/icbc #> initial conditions input directory\nset BCpath = $INPDIR/icbc #> boundary conditions input directory\nset EMISpath = $INPDIR/emis/WR705_2018gc2_cracmmv1/cmaq_ready/merged_nobeis_norwc #> surface emissions input directory\nset EMISpath2 = $INPDIR/emis/WR705_2018gc2_cracmmv1/premerged/rwc\t#> surface residential wood combustion emissions directory\nset IN_PTpath = $INPDIR/emis/WR705_2018gc2_cracmmv1/cmaq_ready #> elevated emissions input directory (in-line point only)\nset IN_LTpath = $INPDIR/met/lightning #> lightning NOx input directory\nset METpath = $INPDIR/met/WRFv4.3.3_LTNG_MCIP5.3.3_compressed #> meteorology input directory\n#set JVALpath = $INPDIR/jproc #> offline photolysis rate table directory\nset OMIpath = $BLD #> ozone column data for the photolysis model\nset EPICpath = $INPDIR/surface #> EPIC putput for bidirectional NH3\nset LUpath = $INPDIR/surface #> BELD landuse data for windblown dust model\nset SZpath = $INPDIR/surface #> surf zone file for in-line seaspray emissions\n\n# =====================================================================\n#> Begin Loop Through Simulation Days\n# =====================================================================\nset rtarray = \"\"\n\nset TODAYG = ${START_DATE}\nset TODAYJ = `date -ud \"${START_DATE}\" +%Y%j` #> Convert YYYY-MM-DD to YYYYJJJ\nset START_DAY = ${TODAYJ} \nset STOP_DAY = `date -ud \"${END_DATE}\" +%Y%j` #> Convert YYYY-MM-DD to YYYYJJJ\nset NDAYS = 0\n\nwhile ($TODAYJ <= $STOP_DAY ) #>Compare dates in terms of YYYYJJJ\n \n set NDAYS = `echo \"${NDAYS} + 1\" | bc -l`\n\n #> Retrieve Calendar day Information\n set YYYYMMDD = `date -ud \"${TODAYG}\" +%Y%m%d` #> Convert YYYY-MM-DD to YYYYMMDD\n set YYYYMM = `date -ud \"${TODAYG}\" +%Y%m` #> Convert YYYY-MM-DD to YYYYMM\n set YYYY = `date -ud \"${TODAYG}\" +%Y` #> Convert YYYY-MM-DD to YYYY\n set YYMMDD = `date -ud \"${TODAYG}\" +%y%m%d` #> Convert YYYY-MM-DD to YYMMDD\n set MM = `date -ud \"${TODAYG}\" +%m`\n set YYYYJJJ = $TODAYJ\n set MMDD = `date -ud \"${TODAYG}\" +%m%d`\n\n #> Calculate Yesterday's Date\n set YESTERDAY = `date -ud \"${TODAYG}-1days\" +%Y%m%d` #> Convert YYYY-MM-DD to YYYYJJJ\n\n# =====================================================================\n#> Set Output String and Propagate Model Configuration Documentation\n# =====================================================================\n echo \"\"\n echo \"Set up input and output files for Day ${TODAYG}.\"\n\n #> set output file name extensions\n setenv CTM_APPL ${RUNID}_${YYYYMMDD} \n \n #> Copy Model Configuration To Output Folder\n if ( ! -d \"$OUTDIR\" ) mkdir -p $OUTDIR\n cp $BLD/CCTM_${VRSN}.cfg $OUTDIR/CCTM_${CTM_APPL}.cfg\n\n# =====================================================================\n#> Input Files (Some are Day-Dependent)\n# =====================================================================\n\n #> Initial conditions\n if ($NEW_START == true || $NEW_START == TRUE ) then\n setenv ICFILE CCTM_CGRID_${RUNID}_${YESTERDAY}.nc \n setenv INIT_MEDC_1 notused\n else\n set ICpath = $OUTDIR\n setenv ICFILE CCTM_CGRID_${RUNID}_${YESTERDAY}.nc\n setenv INIT_MEDC_1 $ICpath/CCTM_MEDIA_CONC_${RUNID}_${YESTERDAY}.nc\n endif\n\n #> Boundary conditions, use STAGE files if CCTM uses the stage option for depv\n set BCFILE = BCON_CONC_12US1_CMAQv54_2018_108NHEMI_CRACCM1_FROM_CB6R5M_STAGE_EMERSON_regrid_${YYYYMM}.nc\n\n #> Off-line photolysis rates \n #set JVALfile = JTABLE_${YYYYJJJ}\n\n #> Ozone column data\n set OMIfile = OMI_1979_to_2019.dat\n\n #> Optics file\n set OPTfile = PHOT_OPTICS.dat\n\n #> MCIP meteorology files\n setenv GRID_BDY_2D $METpath/GRIDBDY2D_$YYYYMMDD.nc4\n setenv GRID_CRO_2D $METpath/GRIDCRO2D_$YYYYMMDD.nc4\n setenv GRID_CRO_3D $METpath/GRIDCRO3D_$YYYYMMDD.nc4\n setenv GRID_DOT_2D $METpath/GRIDDOT2D_$YYYYMMDD.nc4\n setenv MET_CRO_2D $METpath/METCRO2D_$YYYYMMDD.nc4\n setenv MET_CRO_3D $METpath/METCRO3D_$YYYYMMDD.nc4\n setenv MET_DOT_3D $METpath/METDOT3D_$YYYYMMDD.nc4\n setenv MET_BDY_3D $METpath/METBDY3D_$YYYYMMDD.nc4\n setenv LUFRAC_CRO $METpath/LUFRAC_CRO_$YYYYMMDD.nc4\n\n #> Control Files\n #>\n #> IMPORTANT NOTE\n #>\n #> The DESID control files defined below are an integral part of controlling the behavior of the model simulation.\n #> Among other things, they control the mapping of species in the emission files to chemical species in the model and\n #> several aspects related to the simulation of organic aerosols.\n #> Please carefully review the DESID control files to ensure that they are configured to be consistent with the assumptions\n #> made when creating the emission files defined below and the desired representation of organic aerosols.\n #> For further information, please see:\n #> + AERO7 Release Notes section on 'Required emission updates':\n #> https://github.com/USEPA/CMAQ/blob/master/DOCS/Release_Notes/aero7_overview.md\n #> + CMAQ User's Guide section 6.9.3 on 'Emission Compatability':\n #> https://github.com/USEPA/CMAQ/blob/master/DOCS/Users_Guide/CMAQ_UG_ch06_model_configuration_options.md#6.9.3_Emission_Compatability\n #> + Emission Control (DESID) Documentation in the CMAQ User's Guide:\n #> https://github.com/USEPA/CMAQ/blob/master/DOCS/Users_Guide/Appendix/CMAQ_UG_appendixB_emissions_control.md\n #>\n\n setenv DESID_CTRL_NML ${BLD}/CMAQ_Control_DESID.nml\n setenv DESID_CHEM_CTRL_NML ${BLD}/CMAQ_Control_DESID_${MECH}.nml\n\n #> The following namelist configures aggregated output (via the Explicit and Lumped\n #> Air Quality Model Output (ELMO) Module), domain-wide budget output, and chemical\n #> family output.\n setenv MISC_CTRL_NML ${BLD}/CMAQ_Control_Misc.nml\n\n #> The following namelist controls the mapping of meteorological land use types and the NH3 and Hg emission\n #> potentials\n setenv STAGECTRL_NML ${BLD}/CMAQ_Control_STAGE.nml\n\n #> Spatial Masks For Emissions Scaling\n setenv CMAQ_MASKS $SZpath/OCEAN_${MM}_L3m_MC_CHL_chlor_a_12US1.nc\n\n #> Determine Representative Emission Days\n set EMDATES = $INPDIR/emis/emis_dates/smk_merge_dates_${YYYYMM}.txt\n set intable = `grep \"^${YYYYMMDD}\" $EMDATES`\n set Date = `echo $intable[1] | cut -d, -f1`\n set aveday_N = `echo $intable[2] | cut -d, -f1`\n set aveday_Y = `echo $intable[3] | cut -d, -f1`\n set mwdss_N = `echo $intable[4] | cut -d, -f1`\n set mwdss_Y = `echo $intable[5] | cut -d, -f1`\n set week_N = `echo $intable[6] | cut -d, -f1`\n set week_Y = `echo $intable[7] | cut -d, -f1`\n set all = `echo $intable[8] | cut -d, -f1`\n\n #> Gridded Emissions files\n setenv N_EMIS_GR 2\n set EMISfile = emis_mole_all_${YYYYMMDD}_12US1_nobeis_norwc_WR705_2018gc2.ncf \n setenv GR_EMIS_001 ${EMISpath}/${EMISfile}\n setenv GR_EMIS_LAB_001 GRIDDED_EMIS\n setenv GR_EM_SYM_DATE_001 T # To change default behaviour please see Users Guide for EMIS_SYM_DATE\n\n set EMISfile = emis_mole_rwc_${YYYYMMDD}_12US1_cmaq_cracmmv1_WR705_2018gc2.ncf\n setenv GR_EMIS_002 ${EMISpath2}/${EMISfile}\n setenv GR_EMIS_LAB_002 GR_RES_FIRES \n setenv GR_EM_SYM_DATE_002 T # To change default behaviour please see Users Guide for EMIS_SYM_DATE\n \n #> In-Line Point Emissions Files\n setenv N_EMIS_PT 10 #> Number of elevated source groups\n\n set STKCASEE = 12US1_cmaq_cracmmv1_WR705_2018gc2 # In-line Emission Rate File Suffix\n set STKCASEG = 12US1_WR705_2018gc2 # Stack parameter File Suffix\n\n setenv STK_GRPS_001 $IN_PTpath/ptnonipm/stack_groups_ptnonipm_${STKCASEG}.ncf\n setenv STK_GRPS_002 $IN_PTpath/ptegu/stack_groups_ptegu_${STKCASEG}.ncf\n setenv STK_GRPS_003 $IN_PTpath/othpt/stack_groups_othpt_${STKCASEG}.ncf\n setenv STK_GRPS_004 $IN_PTpath/ptagfire/stack_groups_ptagfire_2018${MMDD}_${STKCASEG}.ncf\n setenv STK_GRPS_005 $IN_PTpath/ptfire/stack_groups_ptfire_2018${MMDD}_${STKCASEG}.ncf\n setenv STK_GRPS_006 $IN_PTpath/ptfire_grass/stack_groups_ptfire_grass_2018${MMDD}_${STKCASEG}.ncf\n setenv STK_GRPS_007 $IN_PTpath/ptfire_othna/stack_groups_ptfire_othna_2018${MMDD}_${STKCASEG}.ncf\n setenv STK_GRPS_008 $IN_PTpath/pt_oilgas/stack_groups_pt_oilgas_${STKCASEG}.ncf\n setenv STK_GRPS_009 $IN_PTpath/cmv_c1c2_12/stack_groups_cmv_c1c2_12_${STKCASEG}.ncf\n setenv STK_GRPS_010 $IN_PTpath/cmv_c3_12/stack_groups_cmv_c3_12_${STKCASEG}.ncf\n\n setenv STK_EMIS_001 $IN_PTpath/ptnonipm/inln_mole_ptnonipm_${mwdss_Y}_${STKCASEE}.ncf\n setenv STK_EMIS_002 $IN_PTpath/ptegu/inln_mole_ptegu_2018${MMDD}_${STKCASEE}.ncf\n setenv STK_EMIS_003 $IN_PTpath/othpt/inln_mole_othpt_${mwdss_N}_${STKCASEE}.ncf\n setenv STK_EMIS_004 $IN_PTpath/ptagfire/inln_mole_ptagfire_2018${MMDD}_${STKCASEE}.ncf\n setenv STK_EMIS_005 $IN_PTpath/ptfire/inln_mole_ptfire_2018${MMDD}_${STKCASEE}.ncf\n setenv STK_EMIS_006 $IN_PTpath/ptfire_grass/inln_mole_ptfire_grass_2018${MMDD}_${STKCASEE}.ncf\n setenv STK_EMIS_007 $IN_PTpath/ptfire_othna/inln_mole_ptfire_othna_2018${MMDD}_${STKCASEE}.ncf\n setenv STK_EMIS_008 $IN_PTpath/pt_oilgas/inln_mole_pt_oilgas_${mwdss_Y}_${STKCASEE}.ncf\n setenv STK_EMIS_009 $IN_PTpath/cmv_c1c2_12/inln_mole_cmv_c1c2_12_2018${MMDD}_${STKCASEE}.ncf\n setenv STK_EMIS_010 $IN_PTpath/cmv_c3_12/inln_mole_cmv_c3_12_2018${MMDD}_${STKCASEE}.ncf\n\n # Label Each Emissions Stream\n setenv STK_EMIS_LAB_001 PT_NONEGU\n setenv STK_EMIS_LAB_002 PT_EGU\n setenv STK_EMIS_LAB_003 PT_OTHER\n setenv STK_EMIS_LAB_004 PT_AGFIRES\n setenv STK_EMIS_LAB_005 PT_FIRES\n setenv STK_EMIS_LAB_006 PT_RXFIRES\n setenv STK_EMIS_LAB_007 PT_OTHFIRES\n setenv STK_EMIS_LAB_008 PT_OILGAS\n setenv STK_EMIS_LAB_009 PT_CMV_C1C2\n setenv STK_EMIS_LAB_010 PT_CMV_C3\n\n # Allow CMAQ to Use Point Source files with dates that do not\n # match the internal model date\n # To change default behaviour please see Users Guide for EMIS_SYM_DATE\n setenv STK_EM_SYM_DATE_001 T\n setenv STK_EM_SYM_DATE_002 T\n setenv STK_EM_SYM_DATE_003 T\n setenv STK_EM_SYM_DATE_004 T\n setenv STK_EM_SYM_DATE_005 T\n setenv STK_EM_SYM_DATE_006 T\n setenv STK_EM_SYM_DATE_007 T\n setenv STK_EM_SYM_DATE_008 T\n setenv STK_EM_SYM_DATE_009 T\n setenv STK_EM_SYM_DATE_010 T\n\n #> Lightning NOx configuration\n if ( $CTM_LTNG_NO == 'Y' ) then\n setenv LTNGNO \"InLine\" #> set LTNGNO to \"Inline\" to activate in-line calculation\n\n #> In-line lightning NOx options\n setenv USE_NLDN Y #> use hourly NLDN strike file [ default: Y ]\n if ( $USE_NLDN == Y ) then\n setenv NLDN_STRIKES ${IN_LTpath}/NLDN_12km_60min_${YYYYMMDD}.ioapi\n endif\n setenv LTNGPARMS_FILE ${IN_LTpath}/LTNG_AllParms_12US1.ncf #> lightning parameter file; ignore if LTNGPARAM = N\n endif\n\n #> In-line biogenic emissions configuration\n if ( $CTM_BIOGEMIS_MG == 'Y' ) then\n setenv MEGAN_SOILINP $OUTDIR/CCTM_MSOILOUT_${RUNID}_${YESTERDAY}.nc\n #> Biogenic NO soil input file; ignore if INITIAL_RUN = Y\n #> ; ignore if IGNORE_SOILINP = Y\n setenv MEGAN_CTS /work/MOD3DATA/2016_12US1/surface/megan3.2/CT3_CONUS.ncf\n setenv MEGAN_EFS /work/MOD3DATA/2016_12US1/surface/megan3.2/EFMAPS_CONUS.ncf\n setenv MEGAN_LDF /work/MOD3DATA/2016_12US1/surface/megan3.2/LDF_CONUS.ncf\n if ($BDSNP_MEGAN == 'Y') then\n setenv BDSNPINP $OUTDIR/CCTM_BDSNPOUT_${RUNID}_${YESTERDAY}.nc\n setenv BDSNP_FFILE /work/MOD3DATA/2016_12US1/surface/megan3.2/FERT_CONUS.ncf\n setenv BDSNP_NFILE /work/MOD3DATA/2016_12US1/surface/megan3.2/NDEP_CONUS.ncf\n setenv BDSNP_LFILE /work/MOD3DATA/2016_12US1/surface/megan3.2/LANDTYPE_CONUS.ncf\n setenv BDSNP_AFILE /work/MOD3DATA/2016_12US1/surface/megan3.2/ARID_CONUS.ncf\n setenv BDSNP_NAFILE /work/MOD3DATA/2016_12US1/surface/megan3.2/NONARID_CONUS.ncf\n endif\n endif\n if ( $CTM_BIOGEMIS_BE == 'Y' ) then \n set IN_BEISpath = ${INPDIR}/surface \n setenv GSPRO \t\t${BLD}/gspro_biogenics.txt\n setenv BEIS_NORM_EMIS $IN_BEISpath/beis4_beld6_norm_emis.12US1.ncf \n setenv BEIS_SOILINP $OUTDIR/CCTM_BSOILOUT_${RUNID}_${YESTERDAY}.nc \n #> Biogenic NO soil input file; ignore if INITIAL_RUN = Y\n endif\n\n \n #> In-line sea spray emissions configuration\n setenv OCEAN_1 $SZpath/OCEAN_${MM}_L3m_MC_CHL_chlor_a_12US1.nc\n\n #> Bidirectional ammonia configuration\n if ( $CTM_ABFLUX == 'Y' ) then\n # need to modify for FEST-C v1.4.\n setenv E2C_SOIL ${EPICpath}/${YYYY}r1_EPIC0509_12US1_soil.nc4\n setenv E2C_CHEM ${EPICpath}/${YYYY}r1_EPIC0509_12US1_time${YYYYMMDD}.nc4\n setenv E2C_LU ${EPICpath}/beld4_12US1_2011.nc4\n endif\n\n#> Inline Process Analysis \n setenv CTM_PROCAN N #> use process analysis [ default: N]\n if ( $?CTM_PROCAN ) then # $CTM_PROCAN is defined\n if ( $CTM_PROCAN == 'Y' || $CTM_PROCAN == 'T' ) then\n#> process analysis global column, row and layer ranges\n# setenv PA_BCOL_ECOL \"10 90\" # default: all columns\n# setenv PA_BROW_EROW \"10 80\" # default: all rows\n# setenv PA_BLEV_ELEV \"1 4\" # default: all levels\n setenv PACM_INFILE ${NMLpath}/pa_${MECH}.ctl\n setenv PACM_REPORT $OUTDIR/\"PA_REPORT\".${YYYYMMDD}\n endif\n endif\n\n#> Integrated Source Apportionment Method (ISAM) Options\n setenv CTM_ISAM N\n if ( $?CTM_ISAM ) then\n if ( $CTM_ISAM == 'Y' || $CTM_ISAM == 'T' ) then\n setenv SA_IOLIST ${WORKDIR}/isam_control.txt\n setenv ISAM_BLEV_ELEV \" 1 1\"\n setenv AISAM_BLEV_ELEV \" 1 1\"\n\n #> Set Up ISAM Initial Condition Flags\n if ($NEW_START == true || $NEW_START == TRUE ) then\n setenv ISAM_NEW_START Y\n setenv ISAM_PREVDAY\n else\n setenv ISAM_NEW_START N\n setenv ISAM_PREVDAY \"$OUTDIR/CCTM_SA_CGRID_${RUNID}_${YESTERDAY}.nc\"\n endif\n\n #> Set Up ISAM Output Filenames\n setenv SA_ACONC_1 \"$OUTDIR/CCTM_SA_ACONC_${CTM_APPL}.nc -v\"\n setenv SA_CONC_1 \"$OUTDIR/CCTM_SA_CONC_${CTM_APPL}.nc -v\"\n setenv SA_DD_1 \"$OUTDIR/CCTM_SA_DRYDEP_${CTM_APPL}.nc -v\"\n setenv SA_WD_1 \"$OUTDIR/CCTM_SA_WETDEP_${CTM_APPL}.nc -v\"\n setenv SA_CGRID_1 \"$OUTDIR/CCTM_SA_CGRID_${CTM_APPL}.nc -v\"\n\n #> Set optional ISAM regions files\n# setenv ISAM_REGIONS /work/MOD3EVAL/nsu/isam_v53/CCTM/scripts/input/RGN_ISAM.nc\n\n endif\n endif\n\n#> Sulfur Tracking Model (STM)\n setenv STM_SO4TRACK N #> sulfur tracking [ default: N ]\n if ( $?STM_SO4TRACK ) then\n if ( $STM_SO4TRACK == 'Y' || $STM_SO4TRACK == 'T' ) then\n\n #> option to normalize sulfate tracers [ default: Y ]\n setenv STM_ADJSO4 Y\n\n endif\n endif\n\n#> CMAQ-DDM-3D\n setenv CTM_DDM3D N\n set NPMAX = 1\n setenv SEN_INPUT ${WORKDIR}/sensinput.dat\n\n setenv DDM3D_HIGH N # allow higher-order sensitivity parameters [ T | Y | F | N ] (default is N/F)\n\n if ($NEW_START == true || $NEW_START == TRUE ) then\n setenv DDM3D_RST N # begins from sensitivities from a restart file [ T | Y | F | N ] (default is Y/T)\n set S_ICpath =\n set S_ICfile =\n else\n setenv DDM3D_RST Y\n set S_ICpath = $OUTDIR\n set S_ICfile = CCTM_SENGRID_${RUNID}_${YESTERDAY}.nc\n endif\n\n setenv DDM3D_BCS F # use sensitivity bc file for nested runs [ T | Y | F | N ] (default is N/F)\n set S_BCpath = /asm/MOD3DATA/CMAQv53_TS/2018_12US1/icbc/CMAQv53_TS_108NHEMI_SHAKEOUT\n set S_BCfile = BCON_CONC_12US1_CMAQv53_TS_regrid_${YYYYMM}.nc\n\n setenv CTM_NPMAX $NPMAX\n setenv CTM_SENS_1 \"$OUTDIR/CCTM_SENGRID_${CTM_APPL}.nc -v\"\n setenv A_SENS_1 \"$OUTDIR/CCTM_ASENS_${CTM_APPL}.nc -v\"\n setenv CTM_SWETDEP_1 \"$OUTDIR/CCTM_SENWDEP_${CTM_APPL}.nc -v\"\n setenv CTM_SDRYDEP_1 \"$OUTDIR/CCTM_SENDDEP_${CTM_APPL}.nc -v\"\n setenv CTM_NPMAX $NPMAX\n setenv INIT_SENS_1 $S_ICpath/$S_ICfile\n setenv BNDY_SENS_1 $S_BCpath/$S_BCfile\n \n# =====================================================================\n#> Output Files\n# =====================================================================\n\n #> set output file names\n setenv S_CGRID \"$OUTDIR/CCTM_CGRID_${CTM_APPL}.nc\" #> 3D Inst. Concentrations\n setenv CTM_CONC_1 \"$OUTDIR/CCTM_CONC_${CTM_APPL}.nc -v\" #> On-Hour Concentrations\n setenv A_CONC_1 \"$OUTDIR/CCTM_ACONC_${CTM_APPL}.nc -v\" #> Hourly Avg. Concentrations\n setenv MEDIA_CONC \"$OUTDIR/CCTM_MEDIA_CONC_${CTM_APPL}.nc -v\" #> NH3 Conc. in Media\n setenv CTM_DRY_DEP_1 \"$OUTDIR/CCTM_DRYDEP_${CTM_APPL}.nc -v\" #> Hourly Dry Deposition\n setenv CTM_DEPV_DIAG \"$OUTDIR/CCTM_DEPV_${CTM_APPL}.nc -v\" #> Dry Deposition Velocities\n setenv B3GTS_S \"$OUTDIR/CCTM_B3GTS_S_${CTM_APPL}.nc -v\" #> Biogenic Emissions\n setenv BDSNPOUT \"$OUTDIR/CCTM_BDSNPOUT_${CTM_APPL}.nc\" #> Soil Emissions\n setenv BEIS_SOILOUT \"$OUTDIR/CCTM_BSOILOUT_${CTM_APPL}.nc\" #> Soil Emissions\n setenv MEGAN_SOILOUT \"$OUTDIR/CCTM_MSOILOUT_${CTM_APPL}.nc\" #> Soil Emissions\n setenv CTM_WET_DEP_1 \"$OUTDIR/CCTM_WETDEP1_${CTM_APPL}.nc -v\" #> Wet Dep From All Clouds\n setenv CTM_WET_DEP_2 \"$OUTDIR/CCTM_WETDEP2_${CTM_APPL}.nc -v\" #> Wet Dep From SubGrid Clouds\n setenv CTM_ELMO_1 \"$OUTDIR/CCTM_ELMO_${CTM_APPL}.nc -v\" #> On-Hour Particle Diagnostics\n setenv CTM_AELMO_1 \"$OUTDIR/CCTM_AELMO_${CTM_APPL}.nc -v\" #> Hourly Avg. Particle Diagnostics\n setenv CTM_RJ_1 \"$OUTDIR/CCTM_PHOTDIAG1_${CTM_APPL}.nc -v\" #> 2D Surface Summary from Inline Photolysis\n setenv CTM_RJ_2 \"$OUTDIR/CCTM_PHOTDIAG2_${CTM_APPL}.nc -v\" #> 3D Photolysis Rates\n setenv CTM_RJ_3 \"$OUTDIR/CCTM_PHOTDIAG3_${CTM_APPL}.nc -v\" #> 3D Optical and Radiative Results from Photolysis\n setenv CTM_SSEMIS_1 \"$OUTDIR/CCTM_SSEMIS_${CTM_APPL}.nc -v\" #> Sea Spray Emissions\n setenv CTM_DUST_EMIS_1 \"$OUTDIR/CCTM_DUSTEMIS_${CTM_APPL}.nc -v\" #> Dust Emissions\n setenv CTM_BUDGET \"$OUTDIR/CCTM_BUDGET_${CTM_APPL}.txt -v\" #> Budget\n setenv CTM_IPR_1 \"$OUTDIR/CCTM_PA_1_${CTM_APPL}.nc -v\" #> Process Analysis\n setenv CTM_IPR_2 \"$OUTDIR/CCTM_PA_2_${CTM_APPL}.nc -v\" #> Process Analysis\n setenv CTM_IPR_3 \"$OUTDIR/CCTM_PA_3_${CTM_APPL}.nc -v\" #> Process Analysis\n setenv CTM_IRR_1 \"$OUTDIR/CCTM_IRR_1_${CTM_APPL}.nc -v\" #> Chem Process Analysis\n setenv CTM_IRR_2 \"$OUTDIR/CCTM_IRR_2_${CTM_APPL}.nc -v\" #> Chem Process Analysis\n setenv CTM_IRR_3 \"$OUTDIR/CCTM_IRR_3_${CTM_APPL}.nc -v\" #> Chem Process Analysis\n setenv CTM_DRY_DEP_MOS \"$OUTDIR/CCTM_DDMOS_${CTM_APPL}.nc -v\" #> Dry Dep\n setenv CTM_DEPV_MOS \"$OUTDIR/CCTM_DEPVMOS_${CTM_APPL}.nc -v\" #> Dry Dep Velocity\n setenv CTM_VDIFF_DIAG \"$OUTDIR/CCTM_VDIFF_DIAG_${CTM_APPL}.nc -v\" #> Vertical Dispersion Diagnostic\n setenv CTM_VSED_DIAG \"$OUTDIR/CCTM_VSED_DIAG_${CTM_APPL}.nc -v\" #> Particle Grav. Settling Velocity\n setenv CTM_LTNGDIAG_1 \"$OUTDIR/CCTM_LTNGHRLY_${CTM_APPL}.nc -v\" #> Hourly Avg Lightning NO\n setenv CTM_LTNGDIAG_2 \"$OUTDIR/CCTM_LTNGCOL_${CTM_APPL}.nc -v\" #> Column Total Lightning NO\n setenv CTM_VEXT_1 \"$OUTDIR/CCTM_VEXT_${CTM_APPL}.nc -v\" #> On-Hour 3D Concs at select sites\n \n #> set floor file (neg concs)\n setenv FLOOR_FILE ${OUTDIR}/FLOOR_${CTM_APPL}.txt\n\n #> look for existing log files and output files\n ( ls CTM_LOG_???.${CTM_APPL} > buff.txt ) >& /dev/null\n ( ls ${LOGDIR}/CTM_LOG_???.${CTM_APPL} >> buff.txt ) >& /dev/null\n set log_test = `cat buff.txt`; rm -f buff.txt\n\n set OUT_FILES = (${FLOOR_FILE} ${S_CGRID} ${CTM_CONC_1} ${A_CONC_1} ${MEDIA_CONC} \\\n ${CTM_DRY_DEP_1} $CTM_DEPV_DIAG $B3GTS_S $MEGAN_SOILOUT $BEIS_SOILOUT $BDSNPOUT \\\n $CTM_WET_DEP_1 $CTM_WET_DEP_2 $CTM_ELMO_1 $CTM_AELMO_1 \\\n $CTM_RJ_1 $CTM_RJ_2 $CTM_RJ_3 $CTM_SSEMIS_1 $CTM_DUST_EMIS_1 $CTM_IPR_1 $CTM_IPR_2 \\\n $CTM_IPR_3 $CTM_BUDGET $CTM_IRR_1 $CTM_IRR_2 $CTM_IRR_3 $CTM_DRY_DEP_MOS \\\n $CTM_DEPV_MOS $CTM_VDIFF_DIAG $CTM_VSED_DIAG $CTM_LTNGDIAG_1 $CTM_LTNGDIAG_2 $CTM_VEXT_1 )\n if ( $?CTM_ISAM ) then\n if ( $CTM_ISAM == 'Y' || $CTM_ISAM == 'T' ) then\n set OUT_FILES = (${OUT_FILES} ${SA_ACONC_1} ${SA_CONC_1} ${SA_DD_1} ${SA_WD_1} \\\n ${SA_CGRID_1} )\n endif\n endif\n if ( $?CTM_DDM3D ) then\n if ( $CTM_DDM3D == 'Y' || $CTM_DDM3D == 'T' ) then\n set OUT_FILES = (${OUT_FILES} ${CTM_SENS_1} ${A_SENS_1} ${CTM_SWETDEP_1} ${CTM_SDRYDEP_1} )\n endif\n endif\n set OUT_FILES = `echo $OUT_FILES | sed \"s; -v;;g\" `\n ( ls $OUT_FILES > buff.txt ) >& /dev/null\n set out_test = `cat buff.txt`; rm -f buff.txt\n\n #> delete previous output if requested\n if ( $CLOBBER_DATA == true || $CLOBBER_DATA == TRUE ) then\n echo \n echo \"Existing Logs and Output Files for Day ${TODAYG} Will Be Deleted\"\n\n #> remove previous log files\n foreach file ( ${log_test} )\n #echo \"Deleting log file: $file\"\n /bin/rm -f $file \n end\n \n #> remove previous output files\n foreach file ( ${out_test} )\n #echo \"Deleting output file: $file\"\n /bin/rm -f $file \n end\n /bin/rm -f ${OUTDIR}/CCTM_DESID*${CTM_APPL}.nc\n\n else\n #> error if previous log files exist\n if ( \"$log_test\" != \"\" ) then\n echo \"*** Logs exist - run ABORTED ***\"\n echo \"*** To overide, set CLOBBER_DATA = TRUE in run_cctm.csh ***\"\n echo \"*** and these files will be automatically deleted. ***\"\n exit 1\n endif\n \n #> error if previous output files exist\n if ( \"$out_test\" != \"\" ) then\n echo \"*** Output Files Exist - run will be ABORTED ***\"\n foreach file ( $out_test )\n echo \" cannot delete $file\"\n end\n echo \"*** To overide, set CLOBBER_DATA = TRUE in run_cctm.csh ***\"\n echo \"*** and these files will be automatically deleted. ***\"\n exit 1\n endif\n endif\n\n #> for the run control ...\n setenv CTM_STDATE $YYYYJJJ\n setenv CTM_STTIME $STTIME\n setenv CTM_RUNLEN $NSTEPS\n setenv CTM_TSTEP $TSTEP\n setenv INIT_CONC_1 $ICpath/$ICFILE\n setenv BNDY_CONC_1 $BCpath/$BCFILE\n setenv OMI $OMIpath/$OMIfile\n setenv OPTICS_DATA $OMIpath/$OPTfile\n #setenv XJ_DATA $JVALpath/$JVALfile\n \n #> species defn & photolysis\n setenv gc_matrix_nml ${NMLpath}/GC_$MECH.nml\n setenv ae_matrix_nml ${NMLpath}/AE_$MECH.nml\n setenv nr_matrix_nml ${NMLpath}/NR_$MECH.nml\n setenv tr_matrix_nml ${NMLpath}/Species_Table_TR_0.nml\n\n #> check for photolysis input data\n setenv CSQY_DATA ${NMLpath}/CSQY_DATA_$MECH\n\n if (! (-e $CSQY_DATA ) ) then\n echo \" $CSQY_DATA not found \"\n exit 1\n endif\n if (! (-e $OPTICS_DATA ) ) then\n echo \" $OPTICS_DATA not found \"\n exit 1\n endif\n\n# ===================================================================\n#> Execution Portion\n# ===================================================================\n\n #> Print attributes of the executable\n if ( $CTM_DIAG_LVL != 0 ) then\n ls -l $BLD/$EXEC\n size $BLD/$EXEC\n unlimit\n limit\n endif\n\n #> Print Startup Dialogue Information to Standard Out\n echo \n echo \"CMAQ Processing of Day $YYYYMMDD Began at `date`\"\n echo \n\n #> Executable call for single PE, uncomment to invoke\n #( /usr/bin/time -p $BLD/$EXEC ) |& tee buff_${EXECUTION_ID}.txt\n\n #> Executable call for multi PE, configure for your system \n # set MPI = /usr/local/intel/impi/3.2.2.006/bin64\n # set MPIRUN = $MPI/mpirun\n ( /usr/bin/time -p mpirun -np $NPROCS $BLD/$EXEC ) |& tee buff_${EXECUTION_ID}.txt\n\n #> Harvest Timing Output so that it may be reported below\n set rtarray = \"${rtarray} `tail -3 buff_${EXECUTION_ID}.txt | grep -Eo '[+-]?[0-9]+([.][0-9]+)?' | head -1` \"\n rm -rf buff_${EXECUTION_ID}.txt\n\n #> Abort script if abnormal termination\n if ( ! -e $S_CGRID ) then\n echo \"\"\n echo \"**************************************************************\"\n echo \"** Runscript Detected an Error: CGRID file was not written. **\"\n echo \"** This indicates that CMAQ was interrupted or an issue **\"\n echo \"** exists with writing output. The runscript will now **\"\n echo \"** abort rather than proceeding to subsequent days. **\"\n echo \"**************************************************************\"\n break\n endif\n\n\t\t #> Print Concluding Text\n echo \n echo \"CMAQ Processing of Day $YYYYMMDD Finished at `date`\"\n echo\n echo \"\\\\\\\\\\=====\\\\\\\\\\=====\\\\\\\\\\=====\\\\\\\\\\=====/////=====/////=====/////=====/////\"\n echo\n\n\n# ===================================================================\n#> Finalize Run for This Day and Loop to Next Day\n# ===================================================================\n\n #> Save Log Files and Move on to Next Simulation Day\n mv CTM_LOG_???.${CTM_APPL} $LOGDIR\n if ( $CTM_DIAG_LVL != 0 ) then\n mv CTM_DIAG_???.${CTM_APPL} $LOGDIR\n endif\n\n #> The next simulation day will, by definition, be a restart\n setenv NEW_START false\n\n #> Increment both Gregorian and Julian Days\n set TODAYG = `date -ud \"${TODAYG}+1days\" +%Y-%m-%d` #> Add a day for tomorrow\n set TODAYJ = `date -ud \"${TODAYG}\" +%Y%j` #> Convert YYYY-MM-DD to YYYYJJJ\n\nend #Loop to the next Simulation Day\n\n# ===================================================================\n#> Generate Timing Report\n# ===================================================================\nset RTMTOT = 0\nforeach it ( `seq ${NDAYS}` )\n set rt = `echo ${rtarray} | cut -d' ' -f${it}`\n set RTMTOT = `echo \"${RTMTOT} + ${rt}\" | bc -l`\nend\n\nset RTMAVG = `echo \"scale=2; ${RTMTOT} / ${NDAYS}\" | bc -l`\nset RTMTOT = `echo \"scale=2; ${RTMTOT} / 1\" | bc -l`\n\necho\necho \"==================================\"\necho \" ***** CMAQ TIMING REPORT *****\"\necho \"==================================\"\necho \"Start Day: ${START_DATE}\"\necho \"End Day: ${END_DATE}\"\necho \"Number of Simulation Days: ${NDAYS}\"\necho \"Domain Name: ${GRID_NAME}\"\necho \"Number of Grid Cells: ${NCELLS} (ROW x COL x LAY)\"\necho \"Number of Layers: ${NZ}\"\necho \"Number of Processes: ${NPROCS}\"\necho \" All times are in seconds.\"\necho\necho \"Num Day Wall Time\"\nset d = 0\nset day = ${START_DATE}\nforeach it ( `seq ${NDAYS}` )\n # Set the right day and format it\n set d = `echo \"${d} + 1\" | bc -l`\n set n = `printf \"%02d\" ${d}`\n\n # Choose the correct time variables\n set rt = `echo ${rtarray} | cut -d' ' -f${it}`\n\n # Write out row of timing data\n echo \"${n} ${day} ${rt}\"\n\n # Increment day for next loop\n set day = `date -ud \"${day}+1days\" +%Y-%m-%d`\nend\necho \" Total Time = ${RTMTOT}\"\necho \" Avg. Time = ${RTMAVG}\"\n\nexit\n" }, { "path": "CCTM/scripts/run_cctm_Bench_2018_12NE3.WRFCMAQ.csh", "content": "#!/bin/csh -f\n\n\n# ===================== WRF-CMAQ Run Script =========================\n# Usage: run_cctm_Bench_2018_12NE3.WRFCMAQ.csh >& run_cctm_Bench_2018_12NE3.WRFCMAQ.log &\n# Slurm Usage: sbatch run_cctm_Bench_2018_12NE3.WRFCMAQ.csh \n#\n# To report problems or request help with this script/program:\n# http://www.epa.gov/cmaq (EPA CMAQ Website)\n# http://www.cmascenter.org (CMAS Website)\n# ===================================================================\n\nset NPROCS = 32\n\nset wrfv = 4.5.1\nset version = sw_feedback\nset option = 3\n\n# ===================================================================\n#> Runtime Environment Options\n# ===================================================================\n\necho 'Start Model Run At ' `date`\n\n#> Choose compiler and set up CMAQ environment with correct \n#> libraries using config.cmaq. Options: intel | gcc | pgi\n if ( ! $?compiler ) then\n setenv compiler gcc\n endif\n if ( ! $?compilerVrsn ) then\n setenv compilerVrsn Empty\n endif\n\n#> Source the config.cmaq file to set the build environment\n cd ../..\n source ./config_cmaq.csh $compiler $compilerVrsn\n cd CCTM/scripts\n\n#> Toggle Diagnostic Mode which will print verbose information to \n#> standard output\nsetenv CTM_DIAG_LVL 0 \n\n#> Set General Parameters and Labels for Configuring the Simulation\nset VRSN = ${wrfv}55 #> Code Version\nset PROC = mpi #> serial or mpi\nset MECH = cb6r5_ae7_aq #> Mechanism ID\nset APPL = Bench_2018_12NE3 #> Application Name (e.g. Domain)\n\n#> Define RUNID as any combination of parameters above or others. By default,\n#> this information will be collected into this one string, $RUNID, for easy\n#> referencing in output binaries and log files as well as in other scripts.\nsetenv RUNID ${VRSN}_${APPL}\n\nset EXEC = wrf.exe\n\n#> Output Each line of Runscript to Log File\n if ( $CTM_DIAG_LVL != 0 ) set echo\n\n# Set Working, Input, and Output Directories\nset WORKDIR = ${PWD} # Pathname of current Working Directory\nset WRF_DIR = $WORKDIR/BLD_WRFv${wrfv}_CCTM_v55_gcc # Location of WRF-CMAQ Install\nset INPDIR = ${CMAQ_DATA}/2018_12NE3 # Input directory for WRF & CMAQ\nset OUTPUT_ROOT = $WORKDIR # output root directory\nset output_direct_name = WRFCMAQ-output-${version} # Output Directory Name\nsetenv OUTDIR ${CMAQ_DATA}/$output_direct_name # output files and directories\nset NMLpath = $WRF_DIR/cmaq # path with *.nml file mechanism dependent\n\necho \"\"\necho \"Working Directory is $WORKDIR\"\necho \"Output Root Directory is $OUTPUT_ROOT\"\necho \"Executable Name is $EXEC\"\n\n# =====================================================================\n# WRF-CMAQ coupled Configuration Options\n# =====================================================================\n\n#> Set Start and End Days for looping\nsetenv NEW_START TRUE # Set to FALSE for model restart\nset START_DATE = \"2018-07-01\" # beginning date (July 1, 2016)\nset END_DATE = \"2018-07-02\" # ending date (July 14, 2016)\n\n#> Set Timestepping Parameters\nset STTIME = 000000 # beginning GMT time (HHMMSS)\nset NSTEPS = 240000 # time duration (HHMMSS) for this run\nset TSTEP = 010000 # output time step interval (HHMMSS)\n\nset resolution = 12000 # domain resolution in meter\n\nset wrf_cmaq_option = ${option} # 0 = run WRF only\n # 1 = run WRF only and produce GRID and MET files as well\n # 2 = run WRF-CMAQ coupled model w/o producing GRID and MET files\n # 3 = run WRF-CMAQ coupled model w producing GRID and MET files\nset direct_sw_feedback = .true. # direct Shortwave aerosol feedback effect [.false]\nset wrf_cmaq_freq = 5 # WRF-CMAQ couple model frequency [1]\n\nset cont_from_spinup_run = T # indicates whether a wrf spinup run prior to the twoway model run\nset wrf_tstep = 60 # WRF model time-step\nset NUM_LAND_USE_TYPE = 40 # MODIS IS 20, USGS is 24, NCLD50 is 50, NCLD40 is 40\nset radt = 20 # radiation module time step\nset met_file_tstep = 10000\n\nset ltg_assim = .false. # Option for lightning assimilation in Kain-Fritsch when cu_physics=1 [ .false. ]\nset suppress_opt = 0 # Suppression option if ltg assim used. \n # 0 = nosuppress\n # 1 = fullsuppress\n # 2 = shallonly\nsetenv CTM_LTNG_OPTION 0 # 0 - use nothing\n # 1 - use WRF convective cloud calculation currently\n # this only work with two-way coupled model\n # 2 - use lightning flashes data\n # 3 - use lightning parameter\n # 4 - use NOx emission data file\n\nif ($$direct_sw_feedback == .true.) then\n set feedback = sf\nelse\n set feedback = nf\nendif\n \n#> Keep or Delete Existing Output Files\nset CLOBBER_DATA = TRUE \n\nsetenv PRINT_PROC_TIME Y # Print timing for all science subprocesses to Logfile\n # [ TRUE or Y ]\nsetenv STDOUT T # Override I/O-API trying to write information to both the processor \n # logs and STDOUT [ options: T | F ]\n\nsetenv GRID_NAME 2018_12NE3 # check GRIDDESC file for GRID_NAME options\nsetenv GRIDDESC $OUTDIR/GRIDDESC # grid description file\n\n#> WRF-CMAQ number of columns, rows and layers \nsetenv WRF_COL_DIM 113 # wrf west_east_stag\nsetenv WRF_ROW_DIM 118 # wrf south_north_stag\nsetenv WRF_LAY_DIM 36 # wrf bottom_top_stag\n\nsetenv CMAQ_COL_DIM 100 # CMAQ Domain Columns\nsetenv CMAQ_ROW_DIM 105 # CMAQ Domain Rows\nsetenv TWOWAY_DELTA_X 6 # distance between the wrf and cmaq lower left corner in the x-direction\nsetenv TWOWAY_DELTA_Y 6 # distance between the wrf and cmaq lower left corner in the y-direction\n\nsetenv WRF_LC_REF_LAT 40.0 # WRF Lambert conformal reference latitude\n\nif (! -e $OUTDIR ) then\n mkdir -p $OUTDIR\nendif\n\n# convert STTIME to WRF format HH:MM::SS\n@ second = $STTIME % 100\n@ minute = ($STTIME / 100) % 100\n@ hour = $STTIME / 10000\n\nset wrf_sttime = `date -ud \"$hour\":\"$minute\":\"$second\" +%H:%M:%S`\n\nset wrf_hr = $NSTEPS\n\n#> setup wrf start hour, minute, and second\n@ wrf_sec = $NSTEPS % 100\n@ wrf_min = ($NSTEPS / 100) % 100\n@ wrf_hr = $NSTEPS / 10000\n\n@ wrf_restart_interval = $wrf_min + ($wrf_hr * 60)\n\n# Output Species and Layer Options\n# CONC file species; comment or set to \"ALL\" to write all species to CONC\n#setenv CONC_SPCS \"O3 NO ANO3I ANO3J NO2 FORM ISOP NH3 ANH4I ANH4J ASO4I ASO4J\" \n#setenv CONC_BLEV_ELEV \" 1 1\" # CONC file layer range; comment to write all layers to CONC\n\n# ACONC file species; comment or set to \"ALL\" to write all species to ACONC\n# setenv AVG_CONC_SPCS \"O3 NO CO NO2 ASO4I ASO4J NH3\" \nsetenv AVG_CONC_SPCS \"ALL\" \nsetenv ACONC_BLEV_ELEV \" 1 1\" # ACONC file layer range; comment to write all layers to ACONC\nsetenv AVG_FILE_ENDTIME N # override default beginning ACONC timestamp [ default: N ]\n\n# Synchronization Time Step and Tolerance Options\nsetenv CTM_MAXSYNC 300 #> max sync time step (sec) [ default: 720 ]\nsetenv CTM_MINSYNC 60 #> min sync time step (sec) [ default: 60 ]\nsetenv SIGMA_SYNC_TOP 0.7 #> top sigma level thru which sync step determined [ default: 0.7 ]\n#setenv ADV_HDIV_LIM 0.95 #> maximum horiz. div. limit for adv step adjust [ default: 0.9 ]\nsetenv CTM_ADV_CFL 0.95 #> max CFL [ default: 0.75]\n#setenv RB_ATOL 1.0E-09 #> global ROS3 solver absolute tolerance [ default: 1.0E-07 ]\n\n# Science Options\nsetenv CTM_OCEAN_CHEM Y #> Flag for ocean halogen chemistry, sea spray aerosol emissions,\n #> and enhanced ozone deposition over ocean waters [ default: Y ]\nsetenv CTM_WB_DUST N #> use inline windblown dust emissions [ Y ]\nsetenv CTM_LTNG_NO N #> turn on lightning NOx [ N ]\nsetenv KZMIN Y #> use Min Kz option in edyintb [ Y ],\n #> otherwise revert to Kz0UT\nsetenv PX_VERSION Y #> WRF PX LSM\nsetenv CLM_VERSION N #> WRF CLM LSM\nsetenv NOAH_VERSION N #> WRF NOAH LSM\nsetenv CTM_ABFLUX Y #> ammonia bi-directional flux for in-line deposition velocities [ N ]\nsetenv CTM_BIDI_FERT_NH3 T #> subtract fertilizer NH3 from emissions because it will be handled\n #> by the BiDi calculation [ Y ]\nsetenv CTM_HGBIDI N #> mercury bi-directional flux for in-line deposition velocities [ N ]\nsetenv CTM_SFC_HONO Y #> surface HONO interaction [ Y ]\nsetenv CTM_GRAV_SETL Y #> vdiff aerosol gravitational sedimentation [ Y ]\nsetenv CTM_PVO3 N #> consider potential vorticity module for O3 transport from the stratosphere\n #> In WRF-CMAQ model, option also can activate calculating potential vorticity\n #> [default: N]\n\nsetenv CTM_BIOGEMIS_BE Y #> calculate in-line biogenic emissions with BEIS [ default: N ]\nsetenv CTM_BIOGEMIS_MG N #> turns on MEGAN biogenic emission [ default: N ]\nsetenv BDSNP_MEGAN N #> turns on BDSNP soil NO emissions [ default: N ]\n\nsetenv AEROSOL_OPTICS 3 #> sets method for determining aerosol optics affecting photolysis\n #> frequencies ( 3 is the default value )\n #> VALUES 1 thru 3 determined Uniformly Volume Mixed spherical\n #> (1-Tabular Mie; 2-Mie Calculation; 3-Case Approx to Mie Theory)\n #> VALUES 4 thru 6 attempts to use core-shell mixing model when the\n #> aerosol mode has signficant black carbon core otherwise use Volume Mixed\n #> model where optics determined by\n #> (4-Tabular Mie; 5-Mie Calculation; 6-Case Approx to Mie Theory)\n\nsetenv CTM_TURN_ON_PV N # WRF-CMAQ ONLY turn on/off PV [ N -- make sure compiled with pv on ]\n\n#> Surface Tiled Aerosol and Gaseous Exchange Options\n#> Only active if DepMod=stage at compile time\nsetenv CTM_MOSAIC N #> Output landuse specific deposition velocities [ default: N ]\nsetenv CTM_STAGE_P22 N #> Pleim et al. 2022 Aerosol deposition model [default: N]\nsetenv CTM_STAGE_E20 Y #> Emerson et al. 2020 Aerosol deposition model [default: Y]\nsetenv CTM_STAGE_S22 N #> Shu et al. 2022 (CMAQ v5.3) Aerosol deposition model [default: N]\n\nsetenv IC_AERO_M2WET F #> Specify whether or not initial condition aerosol size distribution \n #> is wet or dry [ default: F = dry ]\nsetenv BC_AERO_M2WET F #> Specify whether or not boundary condition aerosol size distribution \n #> is wet or dry [ default: F = dry ]\nsetenv IC_AERO_M2USE F #> Specify whether or not to use aerosol surface area from initial \n #> conditions [ default: T = use aerosol surface area ]\nsetenv BC_AERO_M2USE F #> Specify whether or not to use aerosol surface area from boundary \n #> conditions [ default: T = use aerosol surface area ]\n\n#> Vertical Extraction Options\nsetenv VERTEXT N\n# setenv VERTEXT_COORD_PATH ${WORKDIR}/lonlat.csv\n\n#> I/O Controls\nsetenv IOAPI_LOG_WRITE F #> turn on excess WRITE3 logging [ options: T | F ]\nsetenv FL_ERR_STOP N #> stop on inconsistent input files\nsetenv PROMPTFLAG F #> turn on I/O-API PROMPT*FILE interactive mode [ options: T | F ]\nsetenv IOAPI_OFFSET_64 YES #> support large timestep records (>2GB/timestep record) [ options: YES | NO ]\nsetenv IOAPI_CHECK_HEADERS N #> check file headers [ options: Y | N ]\nsetenv CTM_EMISCHK N #> Abort CMAQ if missing surrogates from emissions Input files\n\n#> Diagnostic Output Flags\nsetenv CTM_CKSUM Y #> checksum report [ Y ]\nsetenv CLD_DIAG N #> cloud diagnostic file [ N ]\n\nsetenv CTM_PHOTDIAG N #> photolysis diagnostic file [ N ]\nsetenv NLAYS_PHOTDIAG \"1\" #> Number of layers for PHOTDIAG2 and PHOTDIAG3 from\n #> Layer 1 to NLAYS_PHOTDIAG [ default: all layers ]\n#setenv NWAVE_PHOTDIAG \"294 303 310 316 333 381 607\" # Wavelengths written for variables\n # in PHOTDIAG2 and PHOTDIAG3 \n # [ default: all wavelengths ]\n\nsetenv CTM_SSEMDIAG N #> sea-spray emissions diagnostic file [ N ]\nsetenv CTM_DUSTEM_DIAG N #> windblown dust emissions diagnostic file [ N ];\n #> Ignore if CTM_WB_DUST = N\nsetenv CTM_DEPV_FILE N #> deposition velocities diagnostic file [ N ]\nsetenv VDIFF_DIAG_FILE N #> vdiff & possibly aero grav. sedimentation diagnostic file [ N ]\nsetenv LTNGDIAG N #> lightning diagnostic file [ N ]\nsetenv B3GTS_DIAG N #> BEIS mass emissions diagnostic file [ N ]\nsetenv CTM_WVEL Y #> save derived vertical velocity component to conc file [ Y ]\n\nsetenv SD_TIME_SERIES F # WRF-CMAQ sub domain time series output option [F]\n#setenv SD_SCOL 241 # WRF-CMAQ sub domain time series starting column\n#setenv SD_ECOL 248 # WRF-CMAQ sub domain time series ending column\n#setenv SD_SROW 160 # WRF-CMAQ sub domain time series starting row\n#setenv SD_EROW 169 # WRF-CMAQ sub domain time series ending row\n#setenv SD_CONC_SPCS \"NO2 NO O3 NO3 CO ASO4J ASO4I ANH4J ANH4I ANO3J ANO3I AORGAJ AORGAI AORGPAJ AORGPAI AORGBJ AORGBI AECJ AECI A25J A25I ACORS ASEAS ASOIL\" #> sub domain time series species subset list\n\nsetenv FILE_TIME_STEP $met_file_tstep\n\n# =====================================================================\n#> Input Directories and Filenames\n# =====================================================================\n\nset ICpath = $INPDIR/icbc #> initial conditions input directory \nset BCpath = $INPDIR/icbc #> boundary conditions input directory\nset EMISpath = $INPDIR/emis #> gridded emissions input directory\nset IN_PTpath = $INPDIR/emis #> point source emissions input directory\nset IN_LTpath = $INPDIR/lightning #> lightning NOx input directory\nset METpath = $INPDIR/met/wrfv4.4_inputs #> meteorology input directory \n#set JVALpath = $INPDIR/jproc #> offline photolysis rate table directory\nset OMIpath = $WRF_DIR/cmaq #> ozone column data for the photolysis model\nset EPICpath = $INPDIR/epic #> EPIC putput for bidirectional NH3\nset SZpath = $INPDIR/surface #> surf zone file for in-line seaspray emissions\n\n# =====================================================================\n#> Begin Loop Through Simulation Days\n# =====================================================================\nset rtarray = \"\"\n\nset TODAYG = ${START_DATE}\nset TODAYJ = `date -ud \"${START_DATE}\" +%Y%j` #> Convert YYYY-MM-DD to YYYYJJJ\nset START_DAY = ${TODAYJ} \nset STOP_DAY = `date -ud \"${END_DATE}\" +%Y%j` #> Convert YYYY-MM-DD to YYYYJJJ\nset NDAYS = 0\n\nwhile ($TODAYJ <= $STOP_DAY ) #>Compare dates in terms of YYYYJJJ\n \n set NDAYS = `echo \"${NDAYS} + 1\" | bc -l`\n\n #> Retrieve Calendar day Information\n set YYYYMMDD = `date -ud \"${TODAYG}\" +%Y%m%d` #> Convert YYYY-MM-DD to YYYYMMDD\n set YYYYMM = `date -ud \"${TODAYG}\" +%Y%m` #> Convert YYYY-MM-DD to YYYYMM\n set YYMMDD = `date -ud \"${TODAYG}\" +%y%m%d` #> Convert YYYY-MM-DD to YYMMDD\n set YYYYJJJ = $TODAYJ\n\n #> Calculate Yesterday's Date\n set YESTERDAY = `date -ud \"${TODAYG}-1days\" +%Y%m%d`\n\n# =====================================================================\n#> Set Output String and Propagate Model Configuration Documentation\n# =====================================================================\n echo \"\"\n echo \"Set up input and output files for Day ${TODAYG}.\"\n\n #> set output file name extensions\n setenv CTM_APPL ${RUNID}_${YYYYMMDD} \n setenv CTM_APPL_yesterday ${RUNID}_${YESTERDAY}\n \n #> Copy Model Configuration To Output Folder\n if ( ! -d \"$OUTDIR\" ) mkdir -p $OUTDIR\n\n# cp $BLD/cmaq/CCTM_${VRSN}.cfg $OUTDIR/CCTM_${CTM_APPL}.cfg\n\n# =====================================================================\n#> Input Files (Some are Day-Dependent)\n# =====================================================================\n\n #> Initial conditions\n if ($NEW_START == true || $NEW_START == TRUE ) then\n setenv ICFILE CCTM_ICON_v54_${MECH}_12NE3_20180701.nc\n setenv INIT_MEDC_1 notused\n\n #> WRF-CMAQ Configuration\n set feedback_restart = .false. # indicates no CMAQ aerosol information in the initial step\n if ($cont_from_spinup_run == T) then\n setenv WRF_RSTFLAG .TRUE. # indicates WRF restart file exist\n set pxlsm_smois_init = 0 # Init PX Soil Moisture from prevoius run\n else\n setenv WRF_RSTFLAG .false. # indicates WRF restart file does not exist\n set pxlsm_smois_init = 1 # Init PX Soil Moisture from TBL method \n endif\n else\n set ICpath = $OUTDIR\n setenv ICFILE CCTM_CGRID_${RUNID}_${YESTERDAY}.nc\n setenv INIT_MEDC_1 $ICpath/CCTM_MEDIA_CONC_${RUNID}_${YESTERDAY}.nc\n\n #> WRF-CMAQ Configuration\n setenv WRF_RSTFLAG .true. # indicates WRF restart file exist\n set feedback_restart = .true. # indicates CMAQ aerosol information is available\n set pxlsm_smois_init = 0 # Init PX Soil Moisture from prevoius run\n endif\n\n #> Boundary conditions\n set BCFILE = CCTM_BCON_v54_${MECH}_12NE3_${YYYYMMDD}.nc\n\n #> Off-line photolysis rates \n #set JVALfile = JTABLE_${YYYYJJJ}\n\n #> Ozone column data\n set OMIfile = OMI_1979_to_2019.dat\n\n #> Optics file\n set OPTfile = PHOT_OPTICS.dat\n\n #> MCIP meteorology files \n setenv GRID_BDY_2D BUFFERED # GRID files are static, not day-specific\n setenv GRID_CRO_2D BUFFERED\n setenv GRID_CRO_3D BUFFERED\n setenv GRID_DOT_2D BUFFERED\n setenv MET_CRO_2D BUFFERED \n setenv MET_CRO_3D BUFFERED\n setenv MET_DOT_3D BUFFERED\n setenv MET_BDY_3D BUFFERED\n #setenv LUFRAC_CRO BUFFERED\n\n #> Control Files\n #>\n #> IMPORTANT NOTE\n #>\n #> The DESID control files defined below are an integral part of controlling the behavior of the model simulation.\n #> Among other things, they control the mapping of species in the emission files to chemical species in the model and\n #> several aspects related to the simulation of organic aerosols.\n #> Please carefully review the DESID control files to ensure that they are configured to be consistent with the assumptions\n #> made when creating the emission files defined below and the desired representation of organic aerosols.\n #> For further information, please see:\n #> + AERO7 Release Notes section on 'Required emission updates':\n #> https://github.com/USEPA/CMAQ/blob/master/DOCS/Release_Notes/aero7_overview.md\n #> + CMAQ User's Guide section 6.9.3 on 'Emission Compatability':\n #> https://github.com/USEPA/CMAQ/blob/master/DOCS/Users_Guide/CMAQ_UG_ch06_model_configuration_options.md#6.9.3_Emission_Compatability\n #> + Emission Control (DESID) Documentation in the CMAQ User's Guide:\n #> https://github.com/USEPA/CMAQ/blob/master/DOCS/Users_Guide/Appendix/CMAQ_UG_appendixB_emissions_control.md\n #>\n setenv DESID_CTRL_NML ${WRF_DIR}/cmaq/CMAQ_Control_DESID.nml\n setenv DESID_CHEM_CTRL_NML ${WRF_DIR}/cmaq/CMAQ_Control_DESID_${MECH}.nml\n\n #> The following namelist configures aggregated output (via the Explicit and Lumped\n #> Air Quality Model Output (ELMO) Module), domain-wide budget output, and chemical\n #> family output.\n setenv MISC_CTRL_NML ${WRF_DIR}/cmaq/CMAQ_Control_Misc.nml\n\n #> The following namelist controls the mapping of meteorological land use types and the NH3 and Hg emission\n #> potentials\n setenv STAGECTRL_NML ${WRF_DIR}/cmaq/CMAQ_Control_STAGE.nml\n \n #> Spatial Masks For Emissions Scaling\n setenv CMAQ_MASKS $SZpath/OCEAN_07_L3m_MC_CHL_chlor_a_12NE3.nc #> horizontal grid-dependent ocean file\n\n #> Gridded Emissions Files \n setenv N_EMIS_GR 2\n set EMISfile = emis_mole_all_${YYYYMMDD}_12NE3_nobeis_norwc_2018gc_cb6_18j.ncf\n setenv GR_EMIS_001 ${EMISpath}/merged_nobeis_norwc/${EMISfile}\n setenv GR_EMIS_LAB_001 GRIDDED_EMIS\n setenv GR_EM_SYM_DATE_001 F # To change default behaviour please see Users Guide for EMIS_SYM_DATE\n\n set EMISfile = emis_mole_rwc_${YYYYMMDD}_12NE3_cmaq_cb6ae7_2018gc_cb6_18j.ncf\n setenv GR_EMIS_002 ${EMISpath}/rwc/${EMISfile}\n setenv GR_EMIS_LAB_002 GR_RES_FIRES\n setenv GR_EM_SYM_DATE_002 F # To change default behaviour please see Users Guide for EMIS_SYM_DATE\n\n #> In-line point emissions configuration\n setenv N_EMIS_PT 10 #> Number of elevated source groups\n\n set STKCASEG = 12US1_2018gc_cb6_18j # Stack Group Version Label\n set STKCASEE = 12US1_cmaq_cb6ae7_2018gc_cb6_18j # Stack Emission Version Label\n\n # Time-Independent Stack Parameters for Inline Point Sources\n setenv STK_GRPS_001 $IN_PTpath/ptnonipm/stack_groups_ptnonipm_${STKCASEG}.ncf\n setenv STK_GRPS_002 $IN_PTpath/ptegu/stack_groups_ptegu_${STKCASEG}.ncf\n setenv STK_GRPS_003 $IN_PTpath/othpt/stack_groups_othpt_${STKCASEG}.ncf\n setenv STK_GRPS_004 $IN_PTpath/ptagfire/stack_groups_ptagfire_${YYYYMMDD}_${STKCASEG}.ncf\n setenv STK_GRPS_005 $IN_PTpath/ptfire-rx/stack_groups_ptfire-rx_${YYYYMMDD}_${STKCASEG}.ncf\n setenv STK_GRPS_006 $IN_PTpath/ptfire-wild/stack_groups_ptfire-wild_${YYYYMMDD}_${STKCASEG}.ncf\n setenv STK_GRPS_007 $IN_PTpath/ptfire_othna/stack_groups_ptfire_othna_${YYYYMMDD}_${STKCASEG}.ncf\n setenv STK_GRPS_008 $IN_PTpath/pt_oilgas/stack_groups_pt_oilgas_${STKCASEG}.ncf\n setenv STK_GRPS_009 $IN_PTpath/cmv_c3_12/stack_groups_cmv_c3_12_${STKCASEG}.ncf\n setenv STK_GRPS_010 $IN_PTpath/cmv_c1c2_12/stack_groups_cmv_c1c2_12_${STKCASEG}.ncf\n\n # Emission Rates for Inline Point Sources\n setenv STK_EMIS_001 $IN_PTpath/ptnonipm/inln_mole_ptnonipm_${YYYYMMDD}_${STKCASEE}.ncf\n setenv STK_EMIS_002 $IN_PTpath/ptegu/inln_mole_ptegu_${YYYYMMDD}_${STKCASEE}.ncf\n setenv STK_EMIS_003 $IN_PTpath/othpt/inln_mole_othpt_${YYYYMMDD}_${STKCASEE}.ncf\n setenv STK_EMIS_004 $IN_PTpath/ptagfire/inln_mole_ptagfire_${YYYYMMDD}_${STKCASEE}.ncf\n setenv STK_EMIS_005 $IN_PTpath/ptfire-rx/inln_mole_ptfire-rx_${YYYYMMDD}_${STKCASEE}.ncf\n setenv STK_EMIS_006 $IN_PTpath/ptfire-wild/inln_mole_ptfire-wild_${YYYYMMDD}_${STKCASEE}.ncf\n setenv STK_EMIS_007 $IN_PTpath/ptfire_othna/inln_mole_ptfire_othna_${YYYYMMDD}_${STKCASEE}.ncf\n setenv STK_EMIS_008 $IN_PTpath/pt_oilgas/inln_mole_pt_oilgas_${YYYYMMDD}_${STKCASEE}.ncf\n setenv STK_EMIS_009 $IN_PTpath/cmv_c3_12/inln_mole_cmv_c3_12_${YYYYMMDD}_${STKCASEE}.ncf\n setenv STK_EMIS_010 $IN_PTpath/cmv_c1c2_12/inln_mole_cmv_c1c2_12_${YYYYMMDD}_${STKCASEE}.ncf\n\n # Label Each Emissions Stream\n setenv STK_EMIS_LAB_001 PT_NONEGU\n setenv STK_EMIS_LAB_002 PT_EGU\n setenv STK_EMIS_LAB_003 PT_OTHER\n setenv STK_EMIS_LAB_004 PT_AGFIRES\n setenv STK_EMIS_LAB_005 PT_RXFIRES\n setenv STK_EMIS_LAB_006 PT_WILDFIRES\n setenv STK_EMIS_LAB_007 PT_OTHFIRES\n setenv STK_EMIS_LAB_008 PT_OILGAS\n setenv STK_EMIS_LAB_009 PT_CMV_C3\n setenv STK_EMIS_LAB_010 PT_CMV_C1C2\n\n # Allow CMAQ to Use Point Source files with dates that do not\n # match the internal model date\n # To change default behaviour please see Users Guide for EMIS_SYM_DATE\n setenv STK_EM_SYM_DATE_001 F\n setenv STK_EM_SYM_DATE_002 F\n setenv STK_EM_SYM_DATE_003 F\n setenv STK_EM_SYM_DATE_004 F\n setenv STK_EM_SYM_DATE_005 F\n setenv STK_EM_SYM_DATE_006 F\n setenv STK_EM_SYM_DATE_007 F\n setenv STK_EM_SYM_DATE_008 F\n\n #> Lightning NOx configuration\n if ( $CTM_LTNG_NO == 'Y' ) then\n setenv LTNGNO \"InLine\" #> set LTNGNO to \"Inline\" to activate in-line calculation\n\n #> In-line lightning NOx options\n setenv USE_NLDN Y #> use hourly NLDN strike file [ default: Y ]\n if ( $USE_NLDN == Y ) then\n setenv NLDN_STRIKES ${IN_LTpath}/NLDN.12US1.${YYYYMMDD}.ioapi\n endif\n setenv LTNGPARMS_FILE ${IN_LTpath}/LTNG_AllParms_12NE3.nc #> lightning parameter file\n endif\n\n #> In-line biogenic emissions configuration\n if ( $CTM_BIOGEMIS_BE == 'Y' ) then\n set IN_BEISpath = ${INPDIR}/surface\n setenv GSPRO ${WRF_DIR}/cmaq/gspro_biogenics.txt\n setenv BEIS_NORM_EMIS $IN_BEISpath/beis4_beld6_norm_emis.12NE3.nc\n setenv BEIS_SOILINP $OUTDIR/CCTM_BSOILOUT_${RUNID}_${YESTERDAY}.nc\n #> Biogenic NO soil input file; ignore if NEW_START = TRUE\n endif\n if ( $CTM_BIOGEMIS_MG == 'Y' ) then\n setenv MEGAN_SOILINP $OUTDIR/CCTM_MSOILOUT_${RUNID}_${YESTERDAY}.nc\n #> Biogenic NO soil input file; ignore if INITIAL_RUN = Y\n #> ; ignore if IGNORE_SOILINP = Y\n setenv MEGAN_CTS $SZpath/megan3.2/CT3_CONUS.ncf\n setenv MEGAN_EFS $SZpath/megan3.2/EFMAPS_CONUS.ncf\n setenv MEGAN_LDF $SZpath/megan3.2/LDF_CONUS.ncf\n if ($BDSNP_MEGAN == 'Y') then\n setenv BDSNPINP $OUTDIR/CCTM_BDSNPOUT_${RUNID}_${YESTERDAY}.nc\n setenv BDSNP_FFILE $SZpath/megan3.2/FERT_tceq_12km.ncf\n setenv BDSNP_NFILE $SZpath/megan3.2/NDEP_tceq_12km.ncf\n setenv BDSNP_LFILE $SZpath/megan3.2/LANDTYPE_tceq_12km.ncf\n setenv BDSNP_AFILE $SZpath/megan3.2/ARID_tceq_12km.ncf\n setenv BDSNP_NAFILE $SZpath/megan3.2/NONARID_tceq_12km.ncf\n endif\n endif\n\n #> In-line sea spray emissions configuration\n setenv OCEAN_1 $SZpath/OCEAN_07_L3m_MC_CHL_chlor_a_12NE3.nc #> horizontal grid-dependent ocean file\n\n #> Bidirectional ammonia configuration\n if ( $CTM_ABFLUX == 'Y' ) then\n setenv E2C_SOIL ${EPICpath}/2018r1_EPIC0509_12NE3_soil.nc\n setenv E2C_CHEM ${EPICpath}/2018r1_EPIC0509_12NE3_time${YYYYMMDD}.nc\n setenv E2C_CHEM_YEST ${EPICpath}/2018r1_EPIC0509_12NE3_time${YESTERDAY}.nc\n setenv E2C_LU ${EPICpath}/beld4_12NE3_2011.nc\n endif\n\n#> Inline Process Analysis \n setenv CTM_PROCAN N #> use process analysis [ default: N]\n if ( $?CTM_PROCAN ) then # $CTM_PROCAN is defined\n if ( $CTM_PROCAN == 'Y' || $CTM_PROCAN == 'T' ) then\n#> process analysis global column, row and layer ranges\n# setenv PA_BCOL_ECOL \"10 90\" # default: all columns\n# setenv PA_BROW_EROW \"10 80\" # default: all rows\n# setenv PA_BLEV_ELEV \"1 4\" # default: all levels\n setenv PACM_INFILE ${NMLpath}/pa_${MECH}.ctl\n setenv PACM_REPORT $OUTDIR/\"PA_REPORT\".${YYYYMMDD}\n endif\n endif\n\n#> Integrated Source Apportionment Method (ISAM) Options\n setenv CTM_ISAM N\n if ( $?CTM_ISAM ) then\n if ( $CTM_ISAM == 'Y' || $CTM_ISAM == 'T' ) then\n setenv SA_IOLIST ${WORKDIR}/isam_control.txt\n setenv ISAM_BLEV_ELEV \" 1 1\"\n setenv AISAM_BLEV_ELEV \" 1 1\"\n\n #> Set Up ISAM Initial Condition Flags\n if ($NEW_START == true || $NEW_START == TRUE ) then\n setenv ISAM_NEW_START Y\n setenv ISAM_PREVDAY\n else\n setenv ISAM_NEW_START N\n setenv ISAM_PREVDAY \"$OUTDIR/CCTM_SA_CGRID_${RUNID}_${YESTERDAY}.nc\"\n endif\n\n #> Set Up ISAM Output Filenames\n setenv SA_ACONC_1 \"$OUTDIR/CCTM_SA_ACONC_${CTM_APPL}.nc -v\"\n setenv SA_CONC_1 \"$OUTDIR/CCTM_SA_CONC_${CTM_APPL}.nc -v\"\n setenv SA_DD_1 \"$OUTDIR/CCTM_SA_DRYDEP_${CTM_APPL}.nc -v\"\n setenv SA_WD_1 \"$OUTDIR/CCTM_SA_WETDEP_${CTM_APPL}.nc -v\"\n setenv SA_CGRID_1 \"$OUTDIR/CCTM_SA_CGRID_${CTM_APPL}.nc -v\"\n\n #> Set optional ISAM regions files\n #setenv ISAM_REGIONS $INPDIR/GRIDMASK_STATES_12SE1.nc\n\n #> Options used to favor tracked species in reaction for Ozone-NOx chemistry\n setenv ISAM_O3_WEIGHTS 5 # weights for tracked species Default is 5\n # OPTIONS\n # 1 does not weight any species\n # 2 weights NOx and subset of NOz species\n # 3 uses with from option 2 plus weight OVOC species, organic radicals and operators\n # 4 weight OVOC species, organic radicals and operators\n # 5 toggles between two weighting set based on VOC and NOx limited ozone production\n # Below options only used if ISAM_O3_WEIGHTS set to 5\n setenv ISAM_NOX_CASE 2 # weights for tracked species when ozone production is NOx limited. Default is 2\n setenv ISAM_VOC_CASE 4 # weights for tracked species when ozone production is VOC limited. Default is 4\n setenv VOC_NOX_TRANS 0.35 # value of Prod H2O2 over Prod HNO3 less than where\n # ISAM_VOC_CASE weights are used. Otherwise, ISAM_NOX_CASE\n # weights are used. Default is 0.35\n\n endif\n endif\n\n\n#> Sulfur Tracking Model (STM)\n setenv STM_SO4TRACK N #> sulfur tracking [ default: N ]\n if ( $?STM_SO4TRACK ) then\n if ( $STM_SO4TRACK == 'Y' || $STM_SO4TRACK == 'T' ) then\n\n #> option to normalize sulfate tracers [ default: Y ]\n setenv STM_ADJSO4 Y\n\n endif\n endif\n\n#> Decoupled Direct Method in 3D (DDM-3D) Options\n setenv CTM_DDM3D N # Sets up requisite script settings for DDM-3D (default is N/F)\n # Additionally requires for CCTM to be compiled for DDM-3D simulations\n\n set NPMAX = 1 # Number of sensitivity parameters defined in SEN_INPUT\n setenv SEN_INPUT ${WORKDIR}/sensinput.dat\n\n setenv DDM3D_HIGH N # allow higher-order sensitivity parameters in SEN_INPUT [ T | Y | F | N ] (default is N/F)\n\n if ($NEW_START == true || $NEW_START == TRUE ) then\n setenv DDM3D_RST N # begins from sensitivities from a restart file [ T | Y | F | N ] (default is Y/T)\n set S_ICpath = # sensitivity fields are initialized to 0.0 on the first hour of the first day\n set S_ICfile =\n else\n setenv DDM3D_RST Y # begins from sensitivities from a restart file [ T | Y | F | N ] (default is Y/T) \n set S_ICpath = $OUTDIR\n set S_ICfile = CCTM_SENGRID_${RUNID}_${YESTERDAY}.nc\n endif\n\n setenv CTM_NPMAX $NPMAX\n setenv CTM_SENS_1 \"$OUTDIR/CCTM_SENGRID_${CTM_APPL}.nc -v\"\n setenv A_SENS_1 \"$OUTDIR/CCTM_ASENS_${CTM_APPL}.nc -v\"\n setenv CTM_SWETDEP_1 \"$OUTDIR/CCTM_SENWDEP_${CTM_APPL}.nc -v\"\n setenv CTM_SDRYDEP_1 \"$OUTDIR/CCTM_SENDDEP_${CTM_APPL}.nc -v\"\n setenv INIT_SENS_1 $S_ICpath/$S_ICfile\n \n# =====================================================================\n#> Output Files\n# =====================================================================\n\n #> set output file names\n setenv S_CGRID \"$OUTDIR/CCTM_CGRID_${CTM_APPL}.nc\" #> 3D Inst. Concentrations\n setenv CTM_CONC_1 \"$OUTDIR/CCTM_CONC_${CTM_APPL}.nc -v\" #> On-Hour Concentrations\n setenv A_CONC_1 \"$OUTDIR/CCTM_ACONC_${CTM_APPL}.nc -v\" #> Hourly Avg. Concentrations\n setenv MEDIA_CONC \"$OUTDIR/CCTM_MEDIA_CONC_${CTM_APPL}.nc -v\" #> NH3 Conc. in Media\n setenv CTM_DRY_DEP_1 \"$OUTDIR/CCTM_DRYDEP_${CTM_APPL}.nc -v\" #> Hourly Dry Deposition\n setenv CTM_DEPV_DIAG \"$OUTDIR/CCTM_DEPV_${CTM_APPL}.nc -v\" #> Dry Deposition Velocities\n setenv B3GTS_S \"$OUTDIR/CCTM_B3GTS_S_${CTM_APPL}.nc -v\" #> Biogenic Emissions\n setenv BEIS_SOILOUT \"$OUTDIR/CCTM_BSOILOUT_${CTM_APPL}.nc\" #> Soil Emissions\n setenv MEGAN_SOILOUT \"$OUTDIR/CCTM_MSOILOUT_${CTM_APPL}.nc\" #> Soil Emissions\n setenv BDSNPOUT \"$OUTDIR/CCTM_BDSNPOUT_${CTM_APPL}.nc\" #> Soil Emissions\n setenv CTM_WET_DEP_1 \"$OUTDIR/CCTM_WETDEP1_${CTM_APPL}.nc -v\" #> Wet Dep From All Clouds\n setenv CTM_WET_DEP_2 \"$OUTDIR/CCTM_WETDEP2_${CTM_APPL}.nc -v\" #> Wet Dep From SubGrid Clouds\n setenv CTM_ELMO_1 \"$OUTDIR/CCTM_ELMO_${CTM_APPL}.nc -v\" #> On-Hour Particle Diagnostics\n setenv CTM_AELMO_1 \"$OUTDIR/CCTM_AELMO_${CTM_APPL}.nc -v\" #> Hourly Avg. Particle Diagnostics\n setenv CTM_RJ_1 \"$OUTDIR/CCTM_PHOTDIAG1_${CTM_APPL}.nc -v\" #> 2D Surface Summary from Inline Photolysis\n setenv CTM_RJ_2 \"$OUTDIR/CCTM_PHOTDIAG2_${CTM_APPL}.nc -v\" #> 3D Photolysis Rates \n setenv CTM_RJ_3 \"$OUTDIR/CCTM_PHOTDIAG3_${CTM_APPL}.nc -v\" #> 3D Optical and Radiative Results from Photolysis\n setenv CTM_SSEMIS_1 \"$OUTDIR/CCTM_SSEMIS_${CTM_APPL}.nc -v\" #> Sea Spray Emissions\n setenv CTM_DUST_EMIS_1 \"$OUTDIR/CCTM_DUSTEMIS_${CTM_APPL}.nc -v\" #> Dust Emissions\n setenv CTM_BUDGET \"$OUTDIR/CCTM_BUDGET_${CTM_APPL}.txt -v\" #> Budget [Default Off]\n setenv CTM_IPR_1 \"$OUTDIR/CCTM_PA_1_${CTM_APPL}.nc -v\" #> Process Analysis\n setenv CTM_IPR_2 \"$OUTDIR/CCTM_PA_2_${CTM_APPL}.nc -v\" #> Process Analysis\n setenv CTM_IPR_3 \"$OUTDIR/CCTM_PA_3_${CTM_APPL}.nc -v\" #> Process Analysis\n setenv CTM_IRR_1 \"$OUTDIR/CCTM_IRR_1_${CTM_APPL}.nc -v\" #> Chem Process Analysis\n setenv CTM_IRR_2 \"$OUTDIR/CCTM_IRR_2_${CTM_APPL}.nc -v\" #> Chem Process Analysis\n setenv CTM_IRR_3 \"$OUTDIR/CCTM_IRR_3_${CTM_APPL}.nc -v\" #> Chem Process Analysis\n setenv CTM_DRY_DEP_MOS \"$OUTDIR/CCTM_DDMOS_${CTM_APPL}.nc -v\" #> Dry Dep\n setenv CTM_DEPV_MOS \"$OUTDIR/CCTM_DEPVMOS_${CTM_APPL}.nc -v\" #> Dry Dep Velocity\n setenv CTM_VDIFF_DIAG \"$OUTDIR/CCTM_VDIFF_DIAG_${CTM_APPL}.nc -v\" #> Vertical Dispersion Diagnostic\n setenv CTM_VSED_DIAG \"$OUTDIR/CCTM_VSED_DIAG_${CTM_APPL}.nc -v\" #> Particle Grav. Settling Velocity\n setenv CTM_LTNGDIAG_1 \"$OUTDIR/CCTM_LTNGHRLY_${CTM_APPL}.nc -v\" #> Hourly Avg Lightning NO\n setenv CTM_LTNGDIAG_2 \"$OUTDIR/CCTM_LTNGCOL_${CTM_APPL}.nc -v\" #> Column Total Lightning NO\n setenv CTM_VEXT_1 \"$OUTDIR/CCTM_VEXT_${CTM_APPL}.nc -v\" #> On-Hour 3D Concs at select sites\n \n# this is for creating physical files\n setenv PGRID_DOT_2D \"$OUTDIR/GRID_DOT_2D_${CTM_APPL}.nc -v\"\n setenv PGRID_CRO_2D \"$OUTDIR/GRID_CRO_2D_${CTM_APPL}.nc -v\"\n setenv PMET_CRO_2D \"$OUTDIR/MET_CRO_2D_${CTM_APPL}.nc -v\"\n setenv PMET_DOT_3D \"$OUTDIR/MET_DOT_2D_${CTM_APPL}.nc -v\"\n setenv PMET_CRO_3D \"$OUTDIR/MET_CRO_3D_${CTM_APPL}.nc -v\"\n# WRF-CMAQ Files\n if ($SD_TIME_SERIES == T) then\n setenv CTM_SD_TS \"$OUTDIR/SD_TSfile_${CTM_APPL}.nc -v\"\n endif\n setenv LAYER_FILE MET_CRO_3D\n @ n = 0\n while ($n < $NPROCS)\n set name = `printf \"_%3.3d\\n\" $n`\n setenv feed_back$name BUFFERED # for feedback file\n @ n++\n end\n\n #> set floor file (neg concs)\n setenv FLOOR_FILE ${OUTDIR}/FLOOR_${CTM_APPL}.txt\n\n #> look for existing log files and output files\n ( ls CTM_LOG_???.${CTM_APPL} > buff.txt ) >& /dev/null\n ( ls ${OUTDIR}/CTM_LOG_???.${CTM_APPL} >> buff.txt ) >& /dev/null\n set log_test = `cat buff.txt`; rm -f buff.txt\n\n set OUT_FILES = (${FLOOR_FILE} ${S_CGRID} ${CTM_CONC_1} ${A_CONC_1} ${MEDIA_CONC} \\\n ${CTM_DRY_DEP_1} $CTM_DEPV_DIAG $B3GTS_S $MEGAN_SOILOUT $BEIS_SOILOUT $BDSNPOUT \\\n $CTM_WET_DEP_1 $CTM_WET_DEP_2 $CTM_ELMO_1 $CTM_AELMO_1 \\\n $CTM_RJ_1 $CTM_RJ_2 $CTM_RJ_3 $CTM_SSEMIS_1 $CTM_DUST_EMIS_1 $CTM_IPR_1 $CTM_IPR_2 \\\n $CTM_IPR_3 $CTM_BUDGET $CTM_IRR_1 $CTM_IRR_2 $CTM_IRR_3 $CTM_DRY_DEP_MOS \\\n $CTM_DEPV_MOS $CTM_VDIFF_DIAG $CTM_VSED_DIAG $CTM_LTNGDIAG_1 $CTM_LTNGDIAG_2 $CTM_VEXT_1 )\n if ( $?CTM_ISAM ) then\n if ( $CTM_ISAM == 'Y' || $CTM_ISAM == 'T' ) then\n set OUT_FILES = (${OUT_FILES} ${SA_ACONC_1} ${SA_CONC_1} ${SA_DD_1} ${SA_WD_1} \\\n ${SA_CGRID_1} )\n endif\n endif\n if ( $?CTM_DDM3D ) then\n if ( $CTM_DDM3D == 'Y' || $CTM_DDM3D == 'T' ) then\n set OUT_FILES = (${OUT_FILES} ${CTM_SENS_1} ${A_SENS_1} ${CTM_SWETDEP_1} ${CTM_SDRYDEP_1} )\n endif\n endif\n set OUT_FILES = `echo $OUT_FILES | sed \"s; -v;;g\" | sed \"s;MPI:;;g\" `\n ( ls $OUT_FILES > buff.txt ) >& /dev/null\n set out_test = `cat buff.txt`; rm -f buff.txt\n \n #> delete previous output if requested\n if ( $CLOBBER_DATA == true || $CLOBBER_DATA == TRUE ) then\n echo \n echo \"Existing Logs and Output Files for Day ${TODAYG} Will Be Deleted\"\n\n #> remove previous log files\n foreach file ( ${log_test} )\n #echo \"Deleting log file: $file\"\n /bin/rm -f $file \n end\n \n #> remove previous output files\n foreach file ( ${out_test} )\n #echo \"Deleting output file: $file\"\n /bin/rm -f $file \n end\n /bin/rm -f ${OUTDIR}/CCTM_DESID*${CTM_APPL}.nc\n\n else\n #> error if previous log files exist\n if ( \"$log_test\" != \"\" ) then\n echo \"*** Logs exist - run ABORTED ***\"\n echo \"*** To overide, set CLOBBER_DATA = TRUE in run_cctm.csh ***\"\n echo \"*** and these files will be automatically deleted. ***\"\n exit 1\n endif\n \n #> error if previous output files exist\n if ( \"$out_test\" != \"\" ) then\n echo \"*** Output Files Exist - run will be ABORTED ***\"\n foreach file ( $out_test )\n echo \" cannot delete $file\"\n end\n echo \"*** To overide, set CLOBBER_DATA = TRUE in run_cctm.csh ***\"\n echo \"*** and these files will be automatically deleted. ***\"\n exit 1\n endif\n endif\n\n #> for the run control ...\n setenv CTM_STDATE $YYYYJJJ\n setenv CTM_STTIME $STTIME\n setenv CTM_RUNLEN $NSTEPS\n setenv CTM_TSTEP $TSTEP\n setenv INIT_CONC_1 $ICpath/$ICFILE\n setenv BNDY_CONC_1 $BCpath/$BCFILE\n setenv OMI $OMIpath/$OMIfile\n setenv MIE_TABLE $OUTDIR/mie_table_coeffs_${compilerString}.txt\n setenv OPTICS_DATA $OMIpath/$OPTfile\n #setenv XJ_DATA $JVALpath/$JVALfile\n set TR_DVpath = $METpath\n set TR_DVfile = $MET_CRO_2D\n \n #> species defn & photolysis\n setenv gc_matrix_nml ${NMLpath}/GC_$MECH.nml\n setenv ae_matrix_nml ${NMLpath}/AE_$MECH.nml\n setenv nr_matrix_nml ${NMLpath}/NR_$MECH.nml\n setenv tr_matrix_nml ${NMLpath}/Species_Table_TR_0.nml\n \n #> check for photolysis input data\n setenv CSQY_DATA ${NMLpath}/CSQY_DATA_$MECH\n \n cd $OUTDIR\n\n# ===================================================================\n#> Building WRF Namelist. \n# ===================================================================\n\n if ( -f namelist.input ) rm -f namelist.input\n\n cat << End_Of_Namelist > namelist.input\n\n &time_control\n run_hours = $wrf_hr,\t\t\t \n run_minutes = $wrf_min,\n run_seconds = $wrf_sec,\n start_year = `date -ud \"${TODAYG}\" +%Y`, \n start_month = `date -ud \"${TODAYG}\" +%m`,\n start_day = `date -ud \"${TODAYG}\" +%d`,\n start_hour = `date -ud \"$wrf_sttime\" +%H`,\n start_minute = `date -ud \"$wrf_sttime\" +%M`, \n start_second = `date -ud \"$wrf_sttime\" +%S`, \n interval_seconds = 10800,\n input_from_file = .true.,\n HISTORY_INTERVAL = 60,\n FRAMES_PER_OUTFILE = 25,\n restart = $WRF_RSTFLAG,\n restart_interval = $wrf_restart_interval,\n write_hist_at_0h_rst = .true.,\n io_form_history = 2,\n io_form_restart = 2,\n io_form_input = 2,\n io_form_boundary = 2,\n io_form_auxinput2 = 2,\n io_form_auxinput4 = 2,\n debug_level = 0,\n auxinput4_inname = \"wrflowinp_d01\",\n auxinput4_interval = 360,\n auxinput4_end_h = 1000000,\n reset_simulation_start = .false.,\n/\n\n &wrf_cmaq\n wrf_cmaq_option = $wrf_cmaq_option,\n wrf_cmaq_freq = $wrf_cmaq_freq,\n met_file_tstep = $met_file_tstep,\n direct_sw_feedback = $direct_sw_feedback,\n feedback_restart = $feedback_restart,\n/\n\n &domains\n time_step = $wrf_tstep,\n time_step_fract_num = 0,\n time_step_fract_den = 1,\n max_dom = 1,\n s_we = 1, \n e_we = $WRF_COL_DIM, \n s_sn = 1, \n e_sn = $WRF_ROW_DIM, \n s_vert = 1, \n e_vert = $WRF_LAY_DIM,\n p_top_requested = 5000,\n eta_levels = 1.000, 0.9975, 0.995, 0.990, 0.985,\n 0.980, 0.970, 0.960, 0.950,\n 0.940, 0.930, 0.920, 0.910,\n 0.900, 0.880, 0.860, 0.840,\n 0.820, 0.800, 0.770, 0.740,\n 0.700, 0.650, 0.600, 0.550,\n 0.500, 0.450, 0.400, 0.350,\n 0.300, 0.250, 0.200, 0.150,\n 0.100, 0.050, 0.000\n num_metgrid_levels = 40,\n dx = $resolution, \n dy = $resolution,\n grid_id = 1, \n parent_id = 0, \n i_parent_start = 0, \n j_parent_start = 0, \n parent_grid_ratio = 1, \n parent_time_step_ratio = 1, \n feedback = 1,\n smooth_option = 0,\n /\n\n &physics\n mp_physics = 10, \n mp_zero_out = 2,\n mp_zero_out_thresh = 1.0e-8,\n ra_lw_physics = 4, \n ra_sw_physics = 4, \n radt = $radt, \n co2tf = 1, \n sf_sfclay_physics = 7, \n num_soil_layers = 2,\n pxlsm_smois_init = $pxlsm_smois_init,\n pxlsm_modis_veg = 1,\n sf_surface_physics = 7, \n sf_urban_physics = 0,\n bl_pbl_physics = 7, \n bldt = 0, \n cu_physics = 1, \n kfeta_trigger = 2\n cudt = 0, \n ishallow = 0,\n shcu_physics = 0,\n prec_acc_dt = 60,\n isfflx = 1,\n ifsnow = 1,\n icloud = 1,\n cu_rad_feedback = .true.,\n surface_input_source = 1,\n num_land_cat = $NUM_LAND_USE_TYPE,\n num_soil_cat = 16,\n sst_update = 1,\n seaice_threshold = 100,\n slope_rad = 1,\n topo_shading = 1,\n shadlen = 25000.,\n do_radar_ref = 1,\n grav_settling = 0,\n /\n\n &fdda\n grid_fdda = 1, \n grid_sfdda = 1,\n gfdda_inname = \"wrffdda_d01\",\n sgfdda_inname = \"wrfsfdda_d01\",\n pxlsm_soil_nudge = 1,\n sgfdda_end_h = 1000000,\n sgfdda_interval_m = 180,\n GFDDA_END_H = 1000000,\n gfdda_interval_m = 180, \n fgdt = 0, \n if_no_pbl_nudging_uv = 1, \n if_no_pbl_nudging_t = 1, \n if_no_pbl_nudging_q = 1, \n if_zfac_uv = 0, \n k_zfac_uv = 13, \n if_zfac_t = 0, \n k_zfac_t = 13, \n if_zfac_q = 0, \n k_zfac_q = 13, \n guv = 0.0001, \n gt = 0.0001, \n gq = 0.00001, \n guv_sfc = 0.0000,\n gt_sfc = 0.0000,\n gq_sfc = 0.0000,\n if_ramping = 1,\n dtramp_min = 60.0,\n io_form_gfdda = 2,\n rinblw = 250.0\n /\n\n &dynamics\n hybrid_opt = 2,\n w_damping = 1,\n diff_opt = 1,\n km_opt = 4,\n diff_6th_opt = 2,\n diff_6th_factor = 0.12,\n damp_opt = 3,\n base_temp = 290.\n zdamp = 5000., \n dampcoef = 0.05, \n khdif = 0, \n kvdif = 0, \n non_hydrostatic = .true., \n moist_adv_opt = 2,\n tke_adv_opt = 2,\n scalar_adv_opt = 2,\n use_theta_m = 1,\n /\n\n &bdy_control\n spec_bdy_width = 5,\n spec_zone = 1,\n relax_zone = 4,\n specified = .true., \n spec_exp = 0.0,\n nested = .false.,\n /\n\n &grib2\n /\n\n &namelist_quilt\n nio_tasks_per_group = 0,\n nio_groups = 1,\n /\n \nEnd_Of_Namelist\n\n rm -f wrfbdy_d01 wrffdda_d01 wrfsfdda_d01 wrfinput_d01 wrflowinp_d01\n ln -sf $METpath/wrfbdy_d01 wrfbdy_d01\n ln -sf $METpath/wrffdda_d01 wrffdda_d01\n ln -sf $METpath/wrfsfdda_d01 wrfsfdda_d01\n if (${WRF_RSTFLAG} == .false.) then\n \t ln -sf $METpath/wrfinput_d01 wrfinput_d01\n else if (${WRF_RSTFLAG} == .TRUE.) then\n\t ln -sf $METpath/wrfrst_d01_${TODAYG}_00:00:00\n endif\n ln -sf $METpath/wrflowinp_d01 wrflowinp_d01\n\n#-----------------------------------------------------------------------\n# Set up and run WRF-EM executable.\n#-----------------------------------------------------------------------\n\n if ( -f wrf.exe ) rm -f wrf.exe\n\n if ( -f ETAMPNEW_DATA ) rm -f ETAMPNEW_DATA\n if ( -f GENPARM.TBL ) rm -f GENPARM.TBL\n if ( -f landFilenames ) rm -f landFilenames\n if ( -f LANDUSE.TBL ) rm -f LANDUSE.TBL\n if ( -f RRTM_DATA ) rm -f RRTM_DATA\n if ( -f SOILPARM.TBL ) rm -f SOILPARM.TBL\n if ( -f tr49t67 ) rm -f tr49t67\n if ( -f tr49t85 ) rm -f tr49t85\n if ( -f tr67t85 ) rm -f tr67t85\n if ( -f VEGPARM.TBL ) rm -f VEGPARM.TBL\n\n ln -s $WRF_DIR/main/wrf.exe wrf.exe\n\n ln -s $WRF_DIR/test/em_real/ETAMPNEW_DATA ETAMPNEW_DATA\n ln -s $WRF_DIR/test/em_real/GENPARM.TBL GENPARM.TBL\n ln -s $WRF_DIR/test/em_real/landFilenames landFilenames\n ln -s $WRF_DIR/test/em_real/LANDUSE.TBL LANDUSE.TBL\n ln -s $WRF_DIR/test/em_real/RRTM_DATA RRTM_DATA\n ln -s $WRF_DIR/test/em_real/RRTMG_SW_DATA RRTMG_SW_DATA\n ln -s $WRF_DIR/test/em_real/RRTMG_LW_DATA RRTMG_LW_DATA\n ln -s $WRF_DIR/test/em_real/SOILPARM.TBL SOILPARM.TBL\n ln -s $WRF_DIR/test/em_real/tr49t67 tr49t67\n ln -s $WRF_DIR/test/em_real/tr49t85 tr49t85\n ln -s $WRF_DIR/test/em_real/tr67t85 tr67t85\n ln -s $WRF_DIR/test/em_real/VEGPARM.TBL VEGPARM.TBL\n ln -s $WRF_DIR/test/em_real/ozone_plev.formatted ozone_plev.formatted\n ln -s $WRF_DIR/test/em_real/ozone_lat.formatted ozone_lat.formatted\n ln -s $WRF_DIR/test/em_real/ozone.formatted ozone.formatted\n ln -s $WRF_DIR/test/em_real/CAMtr_volume_mixing_ratio CAMtr_volume_mixing_ratio\n# ===================================================================\n#> Execution Portion\n# ===================================================================\n\n #> Print Startup Dialogue Information to Standard Out\n echo \n echo \"CMAQ Processing of Day $YYYYMMDD Began at `date`\"\n echo \n\n ls -al ${OUTDIR}/wrf.exe\n\n date\n time mpirun -np $NPROCS ${OUTDIR}/wrf.exe\n date\n \n #> Harvest Timing Output so that it may be reported below\n# set rtarray = \"${rtarray} `tail -3 buff_${EXECUTION_ID}.txt | grep -Eo '[+-]?[0-9]+([.][0-9]+)?' | head -1` \"\n# rm -rf buff_${EXECUTION_ID}.txt\n\n #> Abort script if abnormal termination\n if ($wrf_cmaq_option > 1) then\n if ( ! -e $OUTDIR/CCTM_CGRID_${CTM_APPL}.nc ) then\n echo \"\"\n echo \"**************************************************************\"\n echo \"** Runscript Detected an Error: CGRID file was not written. **\"\n echo \"** This indicates that CMAQ was interrupted or an issue **\"\n echo \"** exists with writing output. The runscript will now **\"\n echo \"** abort rather than proceeding to subsequent days. **\"\n echo \"**************************************************************\"\n break\n endif\n\n #> Print Concluding Text\n echo\n echo \"CMAQ Processing of Day $YYYYMMDD Finished at `date`\"\n echo\n echo \"\\\\\\\\\\=====\\\\\\\\\\=====\\\\\\\\\\=====\\\\\\\\\\=====/////=====/////=====/////=====/////\"\n echo\n endif\n\n# ===================================================================\n#> Finalize Run for This Day and Loop to Next Day\n# ===================================================================\n\n #> Save Log Files and Move on to Next Simulation Day\n #mv CTM_LOG_???.${CTM_APPL} $OUTDIR\n #> WRF-CMAQ LOGS are combined into WRF_LOGS no CTM_LOGS_* will be generated \n if ( ! -e $OUTDIR/${TODAYJ}) then\n mkdir $OUTDIR/${TODAYJ} \n endif\n mv rsl.* $OUTDIR/${TODAYJ}\n if (($wrf_cmaq_option == 1) || ($wrf_cmaq_option == 3)) then\n mv MET* $OUTDIR/${TODAYJ}\n mv GRI* $OUTDIR/${TODAYJ}\n endif\n \n if ( $CTM_DIAG_LVL != 0 ) then\n mv CTM_DIAG_???.${CTM_APPL} $OUTDIR\n endif\n\n #> The next simulation day will, by definition, be a restart\n setenv NEW_START false\n\n #> Increment both Gregorian and Julian Days\n set TODAYG = `date -ud \"${TODAYG}+1days\" +%Y-%m-%d` #> Add a day for tomorrow\n set TODAYJ = `date -ud \"${TODAYG}\" +%Y%j` #> Convert YYYY-MM-DD to YYYYJJJ\n\nend #Loop to the next Simulation Day\n\n# ===================================================================\n#> Generate Timing Report\n# ===================================================================\nset RTMTOT = 0\nforeach it ( `seq ${NDAYS}` )\n set rt = `echo ${rtarray} | cut -d' ' -f${it}`\n set RTMTOT = `echo \"${RTMTOT} + ${rt}\" | bc -l`\nend\n\nset RTMAVG = `echo \"scale=2; ${RTMTOT} / ${NDAYS}\" | bc -l`\nset RTMTOT = `echo \"scale=2; ${RTMTOT} / 1\" | bc -l`\n\necho\necho \"==================================\"\necho \" ***** CMAQ TIMING REPORT *****\"\necho \"==================================\"\necho \"Start Day: ${START_DATE}\"\necho \"End Day: ${END_DATE}\"\necho \"Number of Simulation Days: ${NDAYS}\"\necho \"Domain Name: ${GRID_NAME}\"\necho \"Number of Processes: ${NPROCS}\"\necho \" All times are in seconds.\"\necho\necho \"Num Day Wall Time\"\nset d = 0\nset day = ${START_DATE}\nforeach it ( `seq ${NDAYS}` )\n # Set the right day and format it\n set d = `echo \"${d} + 1\" | bc -l`\n set n = `printf \"%02d\" ${d}`\n\n # Choose the correct time variables\n set rt = `echo ${rtarray} | cut -d' ' -f${it}`\n\n # Write out row of timing data\n echo \"${n} ${day} ${rt}\"\n\n # Increment day for next loop\n set day = `date -ud \"${day}+1days\" +%Y-%m-%d`\nend\necho \" Total Time = ${RTMTOT}\"\necho \" Avg. Time = ${RTMAVG}\"\n\nexit\n" }, { "path": "CCTM/scripts/run_cctm_Bench_2018_12NE3_CB6R5.csh", "content": "#!/bin/csh -f\n\n# ===================== CCTMv5.5.X Run Script ========================= \n# Usage: run_cctm_Bench_2018_12NE3.csh >&! cctm_Bench_2018_12NE3.log & \n# Slurm Usage: sbatch run_cctm_Bench_2018_12NE3.csh\n#\n# To report problems or request help with this script/program: \n# http://www.epa.gov/cmaq (EPA CMAQ Website)\n# http://www.cmascenter.org (CMAS Website)\n# =================================================================== \n\n# ===================================================================\n#> Runtime Environment Options\n# ===================================================================\n\necho 'Start Model Run At ' `date`\n\n#> Toggle Diagnostic Mode which will print verbose information to \n#> standard output\n setenv CTM_DIAG_LVL 0\n\n#> Choose compiler and set up CMAQ environment with correct \n#> libraries using config.cmaq. Options: intel | gcc | pgi\n if ( ! $?compiler ) then\n setenv compiler intel\n endif\n if ( ! $?compilerVrsn ) then\n setenv compilerVrsn Empty\n endif\n\n#> Source the config.cmaq file to set the build environment\n cd ../..\n source ./config_cmaq.csh $compiler $compilerVrsn\n cd CCTM/scripts\n\n#> Set General Parameters for Configuring the Simulation\n set VRSN = v55 #> Code Version\n set PROC = mpi #> serial or mpi\n set MECH = cb6r5_ae7_aq #> Mechanism ID, depends on the bldit_cctm.csh settings\n set DEP = m3dry #> m3dry or stage, depending on bldit_cctm.csh settings\n set APPL = Bench_2018_12NE3_${MECH}_${DEP} #> Application Name (e.g. Gridname)\n \n#> Define RUNID as any combination of parameters above or others. By default,\n#> this information will be collected into this one string, $RUNID, for easy\n#> referencing in output binaries and log files as well as in other scripts.\n setenv RUNID ${VRSN}_${compilerString}_${APPL}\n\n#> Set the build directory (this is where the CMAQ executable\n#> is located by default).\n set BLD = ${CMAQ_HOME}/CCTM/scripts/BLD_CCTM_${VRSN}_${compilerString}_${MECH}_${DEP}\n set EXEC = CCTM_${VRSN}.exe \n\n#> Output Each line of Runscript to Log File\n if ( $CTM_DIAG_LVL != 0 ) set echo \n\n#> Set Working, Input, and Output Directories\n setenv WORKDIR ${CMAQ_HOME}/CCTM/scripts #> Working Directory. Where the runscript is.\n setenv OUTDIR ${CMAQ_DATA}/output_CCTM_${RUNID} #> Output Directory\n setenv INPDIR ${CMAQ_DATA}/CMAQv5.4_2018_12NE3_Benchmark_2Day_Input/2018_12NE3 #> Input Directory\n setenv LOGDIR ${OUTDIR}/LOGS #> Log Directory Location\n setenv NMLpath ${BLD} #> Location of Namelists. Common places are: \n #> ${WORKDIR} | ${CCTM_SRC}/MECHS/${MECH} | ${BLD}\n\n echo \"\"\n echo \"Working Directory is $WORKDIR\"\n echo \"Build Directory is $BLD\"\n echo \"Output Directory is $OUTDIR\"\n echo \"Log Directory is $LOGDIR\"\n echo \"Executable Name is $EXEC\"\n\n# =====================================================================\n#> CCTM Configuration Options\n# =====================================================================\n\n#> Set Start and End Days for looping\n setenv NEW_START TRUE #> Set to FALSE for model restart\n set START_DATE = \"2018-07-01\" #> beginning date (July 1, 2016)\n set END_DATE = \"2018-07-02\" #> ending date (July 1, 2016)\n\n#> Set Timestepping Parameters\nset STTIME = 000000 #> beginning GMT time (HHMMSS)\nset NSTEPS = 240000 #> time duration (HHMMSS) for this run\nset TSTEP = 010000 #> output time step interval (HHMMSS)\n\n#> Horizontal domain decomposition\nif ( $PROC == serial ) then\n setenv NPCOL_NPROW \"1 1\"; set NPROCS = 1 # single processor setting\nelse\n @ NPCOL = 8; @ NPROW = 4\n @ NPROCS = $NPCOL * $NPROW\n setenv NPCOL_NPROW \"$NPCOL $NPROW\"; \nendif\n\n#> Define Execution ID: e.g. [CMAQ-Version-Info]_[User]_[Date]_[Time]\nif ( ! -e ${BLD}/CCTM_${VRSN}.cfg ) then\n set SHAID = \"\"\nelse\n set SHAID = `grep \"sha_ID\" ${BLD}/CCTM_${VRSN}.cfg | cut -c 13-22`\n if ( $SHAID == not_a_repo ) then\n set SHAID = \"\"\n else\n set SHAID = \"_sha=\"$SHAID\n endif\nendif\nsetenv EXECUTION_ID \"CMAQ_CCTM${VRSN}${SHAID}_`id -u -n`_`date -u +%Y%m%d_%H%M%S_%N`\" #> Inform IO/API of the Execution ID\necho \"\"\necho \"---CMAQ EXECUTION ID: $EXECUTION_ID ---\"\n\n#> Keep or Delete Existing Output Files\nset CLOBBER_DATA = TRUE \n\n#> Logfile Options\n#> Master Log File Name; uncomment to write standard output to a log, otherwise write to screen\n#setenv LOGFILE $CMAQ_HOME/$RUNID.log \nif (! -e $LOGDIR ) then\n mkdir -p $LOGDIR\nendif\nsetenv PRINT_PROC_TIME Y #> Print timing for all science subprocesses to Logfile\n #> [ default: TRUE or Y ]\nsetenv STDOUT T #> Override I/O-API trying to write information to both the processor \n #> logs and STDOUT [ options: T | F ]\n\nsetenv GRID_NAME 2018_12NE3 #> check GRIDDESC file for GRID_NAME options\nsetenv GRIDDESC $INPDIR/GRIDDESC #> grid description file\n\n#> Retrieve the number of columns, rows, and layers in this simulation\nset NZ = 35\nset NX = `grep -A 1 ${GRID_NAME} ${GRIDDESC} | tail -1 | sed 's/ */ /g' | cut -d' ' -f6`\nset NY = `grep -A 1 ${GRID_NAME} ${GRIDDESC} | tail -1 | sed 's/ */ /g' | cut -d' ' -f7`\nset NCELLS = `echo \"${NX} * ${NY} * ${NZ}\" | bc -l`\n\n#> Output Species and Layer Options\n #> CONC file species; comment or set to \"ALL\" to write all species to CONC\n # setenv CONC_SPCS \"O3 NO ANO3I ANO3J NO2 FORM ISOP NH3 ANH4I ANH4J ASO4I ASO4J\" \n # setenv CONC_BLEV_ELEV \" 1 1\" #> CONC file layer range; comment to write all layers to CONC\n\n #> ACONC file species; comment or set to \"ALL\" to write all species to ACONC\n #setenv AVG_CONC_SPCS \"O3 NO CO NO2 ASO4I ASO4J NH3\" \n setenv AVG_CONC_SPCS \"ALL\" \n setenv ACONC_BLEV_ELEV \" 1 1\" #> ACONC file layer range; comment to write all layers to ACONC\n setenv AVG_FILE_ENDTIME N #> override default beginning ACONC timestamp [ default: N ]\n\n#> Synchronization Time Step and Tolerance Options\nsetenv CTM_MAXSYNC 300 #> max sync time step (sec) [ default: 720 ]\nsetenv CTM_MINSYNC 60 #> min sync time step (sec) [ default: 60 ]\nsetenv SIGMA_SYNC_TOP 0.7 #> top sigma level thru which sync step determined [ default: 0.7 ] \n#setenv ADV_HDIV_LIM 0.95 #> maximum horiz. div. limit for adv step adjust [ default: 0.9 ]\nsetenv CTM_ADV_CFL 0.95 #> max CFL [ default: 0.75]\n#setenv RB_ATOL 1.0E-09 #> global ROS3 solver absolute tolerance [ default: 1.0E-07 ] \n\n#> Science Options\nsetenv CTM_OCEAN_CHEM Y #> Flag for ocean halogen chemistry, sea spray aerosol emissions,\n #> and enhanced ozone deposition over ocean waters [ default: Y ]\nsetenv CTM_WB_DUST N #> use inline windblown dust emissions (only for use with PX) [ default: N ]\nsetenv CTM_LTNG_NO N #> turn on lightning NOx [ default: N ]\nsetenv KZMIN Y #> use Min Kz option in edyintb [ default: Y ], \n #> otherwise revert to Kz0UT\nsetenv PX_VERSION Y #> WRF PX LSM\nsetenv CLM_VERSION N #> WRF CLM LSM\nsetenv NOAH_VERSION N #> WRF NOAH LSM\nsetenv CTM_ABFLUX Y #> ammonia bi-directional flux for in-line deposition \n #> velocities [ default: N ]\nsetenv CTM_BIDI_FERT_NH3 T #> subtract fertilizer NH3 from emissions because it will be handled\n #> by the BiDi calculation [ default: Y ]\nsetenv CTM_HGBIDI N #> mercury bi-directional flux for in-line deposition \n #> velocities [ default: N ]\nsetenv CTM_SFC_HONO Y #> surface HONO interaction [ default: Y ]\n #> please see user guide (6.10.4 Nitrous Acid (HONO)) \n #> for dependency on percent urban fraction dataset\nsetenv CTM_GRAV_SETL Y #> vdiff aerosol gravitational sedimentation [ default: Y ]\nsetenv CTM_PVO3 N #> consider potential vorticity module for O3 transport from the stratosphere \n #> [default: N]\n\nsetenv CTM_BIOGEMIS_BE Y #> calculate in-line biogenic emissions with BEIS [ default: N ]\nsetenv CTM_BIOGEMIS_MG N #> turns on MEGAN biogenic emission [ default: N ]\nsetenv BDSNP_MEGAN N #> turns on BDSNP soil NO emissions [ default: N ]\n\nsetenv AEROSOL_OPTICS 3 #> sets method for determining aerosol optics affecting photolysis\n #> frequencies ( 3 is the default value )\n #> VALUES 1 thru 3 determined Uniformly Volume Mixed spherical\n #> (1-Tabular Mie; 2-Mie Calculation; 3-Case Approx to Mie Theory)\n #> VALUES 4 thru 6 attempts to use core-shell mixing model when the\n #> aerosol mode has signficant black carbon core otherwise use Volume Mixed\n #> model where optics determined by\n #> (4-Tabular Mie; 5-Mie Calculation; 6-Case Approx to Mie Theory)\n\n#> Surface Tiled Aerosol and Gaseous Exchange Options\n#> Only active if DepMod=stage at compile time\nsetenv CTM_MOSAIC N #> Output landuse specific deposition velocities [ default: N ]\nsetenv CTM_STAGE_P22 N #> Pleim et al. 2022 Aerosol deposition model [default: N]\nsetenv CTM_STAGE_E20 Y #> Emerson et al. 2020 Aerosol deposition model [default: Y]\nsetenv CTM_STAGE_S22 N #> Shu et al. 2022 (CMAQ v5.3) Aerosol deposition model [default: N]\n\nsetenv IC_AERO_M2WET F #> Specify whether or not initial condition aerosol size distribution \n #> is wet or dry [ default: F = dry ]\nsetenv BC_AERO_M2WET F #> Specify whether or not boundary condition aerosol size distribution \n #> is wet or dry [ default: F = dry ]\nsetenv IC_AERO_M2USE F #> Specify whether or not to use aerosol surface area from initial \n #> conditions [ default: T = use aerosol surface area ]\nsetenv BC_AERO_M2USE F #> Specify whether or not to use aerosol surface area from boundary \n #> conditions [ default: T = use aerosol surface area ]\n\n\n#> Vertical Extraction Options\nsetenv VERTEXT N\nsetenv VERTEXT_COORD_PATH ${WORKDIR}/lonlat.csv\n\n#> I/O Controls\nsetenv IOAPI_LOG_WRITE F #> turn on excess WRITE3 logging [ options: T | F ]\nsetenv FL_ERR_STOP N #> stop on inconsistent input files\nsetenv PROMPTFLAG F #> turn on I/O-API PROMPT*FILE interactive mode [ options: T | F ]\nsetenv IOAPI_OFFSET_64 YES #> support large timestep records (>2GB/timestep record) [ options: YES | NO ]\nsetenv IOAPI_CHECK_HEADERS N #> check file headers [ options: Y | N ]\nsetenv CTM_EMISCHK N #> Abort CMAQ if missing surrogates from emissions Input files\n\n#> Diagnostic Output Flags\nsetenv CTM_CKSUM Y #> checksum report [ default: Y ]\nsetenv CLD_DIAG N #> cloud diagnostic file [ default: N ]\n\nsetenv CTM_PHOTDIAG N #> photolysis diagnostic file [ default: N ]\nsetenv NLAYS_PHOTDIAG \"1\" #> Number of layers for PHOTDIAG2 and PHOTDIAG3 from \n #> Layer 1 to NLAYS_PHOTDIAG [ default: all layers ] \n#setenv NWAVE_PHOTDIAG \"294 303 310 316 333 381 607\" #> Wavelengths written for variables\n #> in PHOTDIAG2 and PHOTDIAG3 \n #> [ default: all wavelengths ]\n\nsetenv CTM_SSEMDIAG N #> sea-spray emissions diagnostic file [ default: N ]\nsetenv CTM_DUSTEM_DIAG N #> windblown dust emissions diagnostic file [ default: N ]; \n #> Ignore if CTM_WB_DUST = N\nsetenv CTM_DEPV_FILE N #> deposition velocities diagnostic file [ default: N ]\nsetenv VDIFF_DIAG_FILE N #> vdiff & possibly aero grav. sedimentation diagnostic file [ default: N ]\nsetenv LTNGDIAG N #> lightning diagnostic file [ default: N ]\nsetenv B3GTS_DIAG N #> BEIS mass emissions diagnostic file [ default: N ]\nsetenv CTM_WVEL Y #> save derived vertical velocity component to conc \n #> file [ default: Y ]\n\n# =====================================================================\n#> Input Directories and Filenames\n# =====================================================================\n\nset ICpath = $INPDIR/icbc #> initial conditions input directory \nset BCpath = $INPDIR/icbc #> boundary conditions input directory\nset EMISpath = $INPDIR/emis #> gridded emissions input directory\nset IN_PTpath = $INPDIR/emis #> point source emissions input directory\nset IN_LTpath = $INPDIR/lightning #> lightning NOx input directory\nset METpath = $INPDIR/met/mcipv5.4 #> meteorology input directory \n#set JVALpath = $INPDIR/jproc #> offline photolysis rate table directory\nset OMIpath = $BLD #> ozone column data for the photolysis model\nset EPICpath = $INPDIR/epic #> EPIC putput for bidirectional NH3\nset SZpath = $INPDIR/surface #> surf zone file for in-line seaspray emissions\n\n# =====================================================================\n#> Begin Loop Through Simulation Days\n# =====================================================================\nset rtarray = \"\"\n\nset TODAYG = ${START_DATE}\nset TODAYJ = `date -ud \"${START_DATE}\" +%Y%j` #> Convert YYYY-MM-DD to YYYYJJJ\nset START_DAY = ${TODAYJ} \nset STOP_DAY = `date -ud \"${END_DATE}\" +%Y%j` #> Convert YYYY-MM-DD to YYYYJJJ\nset NDAYS = 0\n\nwhile ($TODAYJ <= $STOP_DAY ) #>Compare dates in terms of YYYYJJJ\n \n set NDAYS = `echo \"${NDAYS} + 1\" | bc -l`\n\n #> Retrieve Calendar day Information\n set YYYYMMDD = `date -ud \"${TODAYG}\" +%Y%m%d` #> Convert YYYY-MM-DD to YYYYMMDD\n set YYYYMM = `date -ud \"${TODAYG}\" +%Y%m` #> Convert YYYY-MM-DD to YYYYMM\n set YYMMDD = `date -ud \"${TODAYG}\" +%y%m%d` #> Convert YYYY-MM-DD to YYMMDD\n set MM = `date -ud \"${TODAYG}\" +%m` #> Convert YYYY-MM-DD to MM \n set YYYYJJJ = $TODAYJ\n\n #> Calculate Yesterday's Date\n set YESTERDAY = `date -ud \"${TODAYG}-1days\" +%Y%m%d` #> Convert YYYY-MM-DD to YYYYJJJ\n\n# =====================================================================\n#> Set Output String and Propagate Model Configuration Documentation\n# =====================================================================\n echo \"\"\n echo \"Set up input and output files for Day ${TODAYG}.\"\n\n #> set output file name extensions\n setenv CTM_APPL ${RUNID}_${YYYYMMDD} \n \n #> Copy Model Configuration To Output Folder\n if ( ! -d \"$OUTDIR\" ) mkdir -p $OUTDIR\n cp $BLD/CCTM_${VRSN}.cfg $OUTDIR/CCTM_${CTM_APPL}.cfg\n\n# =====================================================================\n#> Input Files (Some are Day-Dependent)\n# =====================================================================\n\n #> Initial conditions\n if ($NEW_START == true || $NEW_START == TRUE ) then\n setenv ICFILE CCTM_ICON_v54_${MECH}_12NE3_20180701.nc\n setenv INIT_MEDC_1 notused\n else\n set ICpath = $OUTDIR\n setenv ICFILE CCTM_CGRID_${RUNID}_${YESTERDAY}.nc\n setenv INIT_MEDC_1 $ICpath/CCTM_MEDIA_CONC_${RUNID}_${YESTERDAY}.nc\n endif\n\n #> Boundary conditions\n set BCFILE = CCTM_BCON_v54_${MECH}_12NE3_${YYYYMMDD}.nc\n\n #> Off-line photolysis rates \n #set JVALfile = JTABLE_${YYYYJJJ}\n\n #> Ozone column data\n set OMIfile = OMI_1979_to_2019.dat\n\n #> Optics file\n set OPTfile = PHOT_OPTICS.dat\n\n #> MCIP meteorology files \n setenv GRID_BDY_2D $METpath/GRIDBDY2D_12NE3_${YYYYMMDD}.nc # GRID files are static, not day-specific\n setenv GRID_CRO_2D $METpath/GRIDCRO2D_12NE3_${YYYYMMDD}.nc\n setenv GRID_CRO_3D $METpath/GRIDCRO3D_12NE3_${YYYYMMDD}.nc\n setenv GRID_DOT_2D $METpath/GRIDDOT2D_12NE3_${YYYYMMDD}.nc\n setenv MET_CRO_2D $METpath/METCRO2D_12NE3_${YYYYMMDD}.nc\n setenv MET_CRO_3D $METpath/METCRO3D_12NE3_${YYYYMMDD}.nc\n setenv MET_DOT_3D $METpath/METDOT3D_12NE3_${YYYYMMDD}.nc\n setenv MET_BDY_3D $METpath/METBDY3D_12NE3_${YYYYMMDD}.nc\n setenv LUFRAC_CRO $METpath/LUFRAC_CRO_12NE3_${YYYYMMDD}.nc\n\n #> Control Files\n #>\n #> IMPORTANT NOTE\n #>\n #> The DESID control files defined below are an integral part of controlling the behavior of the model simulation.\n #> Among other things, they control the mapping of species in the emission files to chemical species in the model and\n #> several aspects related to the simulation of organic aerosols.\n #> Please carefully review the DESID control files to ensure that they are configured to be consistent with the assumptions\n #> made when creating the emission files defined below and the desired representation of organic aerosols.\n #> For further information, please see:\n #> + AERO7 Release Notes section on 'Required emission updates':\n #> https://github.com/USEPA/CMAQ/blob/master/DOCS/Release_Notes/aero7_overview.md\n #> + CMAQ User's Guide section 6.9.3 on 'Emission Compatability':\n #> https://github.com/USEPA/CMAQ/blob/master/DOCS/Users_Guide/CMAQ_UG_ch06_model_configuration_options.md#6.9.3_Emission_Compatability\n #> + Emission Control (DESID) Documentation in the CMAQ User's Guide:\n #> https://github.com/USEPA/CMAQ/blob/master/DOCS/Users_Guide/Appendix/CMAQ_UG_appendixB_emissions_control.md\n #>\n setenv DESID_CTRL_NML ${BLD}/CMAQ_Control_DESID.nml\n setenv DESID_CHEM_CTRL_NML ${BLD}/CMAQ_Control_DESID_${MECH}.nml\n\n #> The following namelist configures aggregated output (via the Explicit and Lumped\n #> Air Quality Model Output (ELMO) Module), domain-wide budget output, and chemical\n #> family output.\n setenv MISC_CTRL_NML ${BLD}/CMAQ_Control_Misc.nml\n\n #> The following namelist controls the mapping of meteorological land use types and the NH3 and Hg emission\n #> potentials\n setenv STAGECTRL_NML ${BLD}/CMAQ_Control_STAGE.nml\n \n #> Spatial Masks For Emissions Scaling\n #setenv CMAQ_MASKS $SZpath/OCEAN_${MM}_L3m_MC_CHL_chlor_a_12NE3.nc #> horizontal grid-dependent ocean file\n setenv CMAQ_MASKS $INPDIR/GRIDMASK_STATES_12NE3.nc\n\n #> Gridded Emissions Files \n setenv N_EMIS_GR 2\n set EMISfile = emis_mole_all_${YYYYMMDD}_12NE3_nobeis_norwc_2018gc_cb6_18j.ncf\n setenv GR_EMIS_001 ${EMISpath}/merged_nobeis_norwc/${EMISfile}\n setenv GR_EMIS_LAB_001 GRIDDED_EMIS\n setenv GR_EM_SYM_DATE_001 F # To change default behaviour please see Users Guide for EMIS_SYM_DATE\n\n set EMISfile = emis_mole_rwc_${YYYYMMDD}_12NE3_cmaq_cb6ae7_2018gc_cb6_18j.ncf\n setenv GR_EMIS_002 ${EMISpath}/rwc/${EMISfile}\n setenv GR_EMIS_LAB_002 GR_RES_FIRES\n setenv GR_EM_SYM_DATE_002 F # To change default behaviour please see Users Guide for EMIS_SYM_DATE\n\n #> In-line point emissions configuration\n setenv N_EMIS_PT 10 #> Number of elevated source groups\n\n set STKCASEG = 12US1_2018gc_cb6_18j # Stack Group Version Label\n set STKCASEE = 12US1_cmaq_cb6ae7_2018gc_cb6_18j # Stack Emission Version Label\n\n # Time-Independent Stack Parameters for Inline Point Sources\n setenv STK_GRPS_001 $IN_PTpath/ptnonipm/stack_groups_ptnonipm_${STKCASEG}.ncf\n setenv STK_GRPS_002 $IN_PTpath/ptegu/stack_groups_ptegu_${STKCASEG}.ncf\n setenv STK_GRPS_003 $IN_PTpath/othpt/stack_groups_othpt_${STKCASEG}.ncf\n setenv STK_GRPS_004 $IN_PTpath/ptagfire/stack_groups_ptagfire_${YYYYMMDD}_${STKCASEG}.ncf\n setenv STK_GRPS_005 $IN_PTpath/ptfire-rx/stack_groups_ptfire-rx_${YYYYMMDD}_${STKCASEG}.ncf\n setenv STK_GRPS_006 $IN_PTpath/ptfire-wild/stack_groups_ptfire-wild_${YYYYMMDD}_${STKCASEG}.ncf\n setenv STK_GRPS_007 $IN_PTpath/ptfire_othna/stack_groups_ptfire_othna_${YYYYMMDD}_${STKCASEG}.ncf\n setenv STK_GRPS_008 $IN_PTpath/pt_oilgas/stack_groups_pt_oilgas_${STKCASEG}.ncf\n setenv STK_GRPS_009 $IN_PTpath/cmv_c3_12/stack_groups_cmv_c3_12_${STKCASEG}.ncf\n setenv STK_GRPS_010 $IN_PTpath/cmv_c1c2_12/stack_groups_cmv_c1c2_12_${STKCASEG}.ncf\n\n # Emission Rates for Inline Point Sources\n setenv STK_EMIS_001 $IN_PTpath/ptnonipm/inln_mole_ptnonipm_${YYYYMMDD}_${STKCASEE}.ncf\n setenv STK_EMIS_002 $IN_PTpath/ptegu/inln_mole_ptegu_${YYYYMMDD}_${STKCASEE}.ncf\n setenv STK_EMIS_003 $IN_PTpath/othpt/inln_mole_othpt_${YYYYMMDD}_${STKCASEE}.ncf\n setenv STK_EMIS_004 $IN_PTpath/ptagfire/inln_mole_ptagfire_${YYYYMMDD}_${STKCASEE}.ncf\n setenv STK_EMIS_005 $IN_PTpath/ptfire-rx/inln_mole_ptfire-rx_${YYYYMMDD}_${STKCASEE}.ncf\n setenv STK_EMIS_006 $IN_PTpath/ptfire-wild/inln_mole_ptfire-wild_${YYYYMMDD}_${STKCASEE}.ncf\n setenv STK_EMIS_007 $IN_PTpath/ptfire_othna/inln_mole_ptfire_othna_${YYYYMMDD}_${STKCASEE}.ncf\n setenv STK_EMIS_008 $IN_PTpath/pt_oilgas/inln_mole_pt_oilgas_${YYYYMMDD}_${STKCASEE}.ncf\n setenv STK_EMIS_009 $IN_PTpath/cmv_c3_12/inln_mole_cmv_c3_12_${YYYYMMDD}_${STKCASEE}.ncf\n setenv STK_EMIS_010 $IN_PTpath/cmv_c1c2_12/inln_mole_cmv_c1c2_12_${YYYYMMDD}_${STKCASEE}.ncf\n\n # Label Each Emissions Stream\n setenv STK_EMIS_LAB_001 PT_NONEGU\n setenv STK_EMIS_LAB_002 PT_EGU\n setenv STK_EMIS_LAB_003 PT_OTHER\n setenv STK_EMIS_LAB_004 PT_AGFIRES\n setenv STK_EMIS_LAB_005 PT_RXFIRES\n setenv STK_EMIS_LAB_006 PT_WILDFIRES\n setenv STK_EMIS_LAB_007 PT_OTHFIRES\n setenv STK_EMIS_LAB_008 PT_OILGAS\n setenv STK_EMIS_LAB_009 PT_CMV_C3\n setenv STK_EMIS_LAB_010 PT_CMV_C1C2\n\n # Allow CMAQ to Use Point Source files with dates that do not\n # match the internal model date\n # To change default behaviour please see Users Guide for EMIS_SYM_DATE\n setenv STK_EM_SYM_DATE_001 F\n setenv STK_EM_SYM_DATE_002 F\n setenv STK_EM_SYM_DATE_003 F\n setenv STK_EM_SYM_DATE_004 F\n setenv STK_EM_SYM_DATE_005 F\n setenv STK_EM_SYM_DATE_006 F\n setenv STK_EM_SYM_DATE_007 F\n setenv STK_EM_SYM_DATE_008 F\n\n #> Lightning NOx configuration\n if ( $CTM_LTNG_NO == 'Y' ) then\n setenv LTNGNO \"InLine\" #> set LTNGNO to \"Inline\" to activate in-line calculation\n\n #> In-line lightning NOx options\n setenv USE_NLDN Y #> use hourly NLDN strike file [ default: Y ]\n if ( $USE_NLDN == Y ) then\n setenv NLDN_STRIKES ${IN_LTpath}/NLDN_12km_60min_${YYYYMMDD}.ioapi\n endif\n setenv LTNGPARMS_FILE ${IN_LTpath}/LTNG_AllParms_12NE3.nc #> lightning parameter file\n endif\n\n #> In-line biogenic emissions configuration\n if ( $CTM_BIOGEMIS_BE == 'Y' ) then\n set IN_BEISpath = ${INPDIR}/surface\n setenv GSPRO $BLD/gspro_biogenics.txt\n setenv BEIS_NORM_EMIS $IN_BEISpath/beis4_beld6_norm_emis.12NE3.nc\n setenv BEIS_SOILINP $OUTDIR/CCTM_BSOILOUT_${RUNID}_${YESTERDAY}.nc\n #> Biogenic NO soil input file; ignore if NEW_START = TRUE\n endif\n if ( $CTM_BIOGEMIS_MG == 'Y' ) then\n setenv MEGAN_SOILINP $OUTDIR/CCTM_MSOILOUT_${RUNID}_${YESTERDAY}.nc\n #> Biogenic NO soil input file; ignore if INITIAL_RUN = Y\n #> ; ignore if IGNORE_SOILINP = Y\n setenv MEGAN_CTS $SZpath/megan3.2/CT3_CONUS.ncf\n setenv MEGAN_EFS $SZpath/megan3.2/EFMAPS_CONUS.ncf\n setenv MEGAN_LDF $SZpath/megan3.2/LDF_CONUS.ncf\n if ($BDSNP_MEGAN == 'Y') then\n setenv BDSNPINP $OUTDIR/CCTM_BDSNPOUT_${RUNID}_${YESTERDAY}.nc\n setenv BDSNP_FFILE $SZpath/megan3.2/FERT_tceq_12km.ncf\n setenv BDSNP_NFILE $SZpath/megan3.2/NDEP_tceq_12km.ncf\n setenv BDSNP_LFILE $SZpath/megan3.2/LANDTYPE_tceq_12km.ncf\n setenv BDSNP_AFILE $SZpath/megan3.2/ARID_tceq_12km.ncf\n setenv BDSNP_NAFILE $SZpath/megan3.2/NONARID_tceq_12km.ncf\n endif\n endif\n\n #> In-line sea spray emissions configuration\n setenv OCEAN_1 $SZpath/OCEAN_${MM}_L3m_MC_CHL_chlor_a_12NE3.nc #> horizontal grid-dependent ocean file\n\n #> Bidirectional ammonia configuration\n if ( $CTM_ABFLUX == 'Y' ) then\n setenv E2C_SOIL ${EPICpath}/2018r1_EPIC0509_12NE3_soil.nc\n setenv E2C_CHEM ${EPICpath}/2018r1_EPIC0509_12NE3_time${YYYYMMDD}.nc\n setenv E2C_CHEM_YEST ${EPICpath}/2018r1_EPIC0509_12NE3_time${YESTERDAY}.nc\n setenv E2C_LU ${EPICpath}/beld4_12NE3_2011.nc\n endif\n\n#> Inline Process Analysis \n setenv CTM_PROCAN N #> use process analysis [ default: N]\n if ( $?CTM_PROCAN ) then # $CTM_PROCAN is defined\n if ( $CTM_PROCAN == 'Y' || $CTM_PROCAN == 'T' ) then\n#> process analysis global column, row and layer ranges\n# setenv PA_BCOL_ECOL \"10 90\" # default: all columns\n# setenv PA_BROW_EROW \"10 80\" # default: all rows\n# setenv PA_BLEV_ELEV \"1 4\" # default: all levels\n setenv PACM_INFILE ${NMLpath}/pa_${MECH}.ctl\n setenv PACM_REPORT $OUTDIR/\"PA_REPORT\".${YYYYMMDD}\n endif\n endif\n\n#> Integrated Source Apportionment Method (ISAM) Options\n setenv CTM_ISAM N\n if ( $?CTM_ISAM ) then\n if ( $CTM_ISAM == 'Y' || $CTM_ISAM == 'T' ) then\n setenv SA_IOLIST ${WORKDIR}/isam_control.2018_12NE3.txt\n setenv ISAM_BLEV_ELEV \" 1 1\"\n setenv AISAM_BLEV_ELEV \" 1 1\"\n\n #> Set Up ISAM Initial Condition Flags\n if ($NEW_START == true || $NEW_START == TRUE ) then\n setenv ISAM_NEW_START Y\n setenv ISAM_PREVDAY\n else\n setenv ISAM_NEW_START N\n setenv ISAM_PREVDAY \"$OUTDIR/CCTM_SA_CGRID_${RUNID}_${YESTERDAY}.nc\"\n endif\n\n #> Set Up ISAM Output Filenames\n setenv SA_ACONC_1 \"$OUTDIR/CCTM_SA_ACONC_${CTM_APPL}.nc -v\"\n setenv SA_CONC_1 \"$OUTDIR/CCTM_SA_CONC_${CTM_APPL}.nc -v\"\n setenv SA_DD_1 \"$OUTDIR/CCTM_SA_DRYDEP_${CTM_APPL}.nc -v\"\n setenv SA_WD_1 \"$OUTDIR/CCTM_SA_WETDEP_${CTM_APPL}.nc -v\"\n setenv SA_CGRID_1 \"$OUTDIR/CCTM_SA_CGRID_${CTM_APPL}.nc -v\"\n\n #> Set optional ISAM regions files\n setenv ISAM_REGIONS $INPDIR/GRIDMASK_STATES_12NE3.nc\n\n #> Options used to favor tracked species in reaction for Ozone-NOx chemistry\n setenv ISAM_O3_WEIGHTS 5 # weights for tracked species Default is 5\n # OPTIONS\n # 1 does not weight any species\n # 2 weights NOx and subset of NOz species\n # 3 uses with from option 2 plus weight OVOC species, organic radicals and operators\n # 4 weight OVOC species, organic radicals and operators\n # 5 toggles between two weighting set based on VOC and NOx limited ozone production\n # Below options only used if ISAM_O3_WEIGHTS set to 5\n setenv ISAM_NOX_CASE 2 # weights for tracked species when ozone production is NOx limited. Default is 2\n setenv ISAM_VOC_CASE 4 # weights for tracked species when ozone production is VOC limited. Default is 4\n setenv VOC_NOX_TRANS 0.35 # value of Prod H2O2 over Prod HNO3 less than where\n # ISAM_VOC_CASE weights are used. Otherwise, ISAM_NOX_CASE\n # weights are used. Default is 0.35\n\n endif\n endif\n\n\n#> Sulfur Tracking Model (STM)\n setenv STM_SO4TRACK N #> sulfur tracking [ default: N ]\n if ( $?STM_SO4TRACK ) then\n if ( $STM_SO4TRACK == 'Y' || $STM_SO4TRACK == 'T' ) then\n\n #> option to normalize sulfate tracers [ default: Y ]\n setenv STM_ADJSO4 Y\n\n endif\n endif\n\n#> Decoupled Direct Method in 3D (DDM-3D) Options\n setenv CTM_DDM3D N # Sets up requisite script settings for DDM-3D (default is N/F)\n # Additionally requires for CCTM to be compiled for DDM-3D simulations\n\n set NPMAX = 1 # Number of sensitivity parameters defined in SEN_INPUT\n setenv SEN_INPUT ${WORKDIR}/sensinput.2018_12NE3.dat\n\n setenv DDM3D_HIGH N # allow higher-order sensitivity parameters in SEN_INPUT [ T | Y | F | N ] (default is N/F)\n\n if ($NEW_START == true || $NEW_START == TRUE ) then\n setenv DDM3D_RST N # begins from sensitivities from a restart file [ T | Y | F | N ] (default is Y/T)\n set S_ICpath = # sensitivity fields are initialized to 0.0 on the first hour of the first day\n set S_ICfile =\n else\n setenv DDM3D_RST Y # begins from sensitivities from a restart file [ T | Y | F | N ] (default is Y/T) \n set S_ICpath = $OUTDIR\n set S_ICfile = CCTM_SENGRID_${RUNID}_${YESTERDAY}.nc\n endif\n\n setenv CTM_NPMAX $NPMAX\n setenv CTM_SENS_1 \"$OUTDIR/CCTM_SENGRID_${CTM_APPL}.nc -v\"\n setenv A_SENS_1 \"$OUTDIR/CCTM_ASENS_${CTM_APPL}.nc -v\"\n setenv CTM_SWETDEP_1 \"$OUTDIR/CCTM_SENWDEP_${CTM_APPL}.nc -v\"\n setenv CTM_SDRYDEP_1 \"$OUTDIR/CCTM_SENDDEP_${CTM_APPL}.nc -v\"\n setenv INIT_SENS_1 $S_ICpath/$S_ICfile\n \n \n# =====================================================================\n#> Output Files\n# =====================================================================\n\n #> set output file names\n setenv S_CGRID \"$OUTDIR/CCTM_CGRID_${CTM_APPL}.nc\" #> 3D Inst. Concentrations\n setenv CTM_CONC_1 \"$OUTDIR/CCTM_CONC_${CTM_APPL}.nc -v\" #> On-Hour Concentrations\n setenv A_CONC_1 \"$OUTDIR/CCTM_ACONC_${CTM_APPL}.nc -v\" #> Hourly Avg. Concentrations\n setenv MEDIA_CONC \"$OUTDIR/CCTM_MEDIA_CONC_${CTM_APPL}.nc -v\" #> NH3 Conc. in Media\n setenv CTM_DRY_DEP_1 \"$OUTDIR/CCTM_DRYDEP_${CTM_APPL}.nc -v\" #> Hourly Dry Deposition\n setenv CTM_DEPV_DIAG \"$OUTDIR/CCTM_DEPV_${CTM_APPL}.nc -v\" #> Dry Deposition Velocities\n setenv B3GTS_S \"$OUTDIR/CCTM_B3GTS_S_${CTM_APPL}.nc -v\" #> Biogenic Emissions\n setenv BEIS_SOILOUT \"$OUTDIR/CCTM_BSOILOUT_${CTM_APPL}.nc\" #> Soil Emissions\n setenv MEGAN_SOILOUT \"$OUTDIR/CCTM_MSOILOUT_${CTM_APPL}.nc\" #> Soil Emissions\n setenv BDSNPOUT \"$OUTDIR/CCTM_BDSNPOUT_${CTM_APPL}.nc\" #> Soil Emissions\n setenv CTM_WET_DEP_1 \"$OUTDIR/CCTM_WETDEP1_${CTM_APPL}.nc -v\" #> Wet Dep From All Clouds\n setenv CTM_WET_DEP_2 \"$OUTDIR/CCTM_WETDEP2_${CTM_APPL}.nc -v\" #> Wet Dep From SubGrid Clouds\n setenv CTM_ELMO_1 \"$OUTDIR/CCTM_ELMO_${CTM_APPL}.nc -v\" #> On-Hour Particle Diagnostics\n setenv CTM_AELMO_1 \"$OUTDIR/CCTM_AELMO_${CTM_APPL}.nc -v\" #> Hourly Avg. Particle Diagnostics\n setenv CTM_RJ_1 \"$OUTDIR/CCTM_PHOTDIAG1_${CTM_APPL}.nc -v\" #> 2D Surface Summary from Inline Photolysis\n setenv CTM_RJ_2 \"$OUTDIR/CCTM_PHOTDIAG2_${CTM_APPL}.nc -v\" #> 3D Photolysis Rates \n setenv CTM_RJ_3 \"$OUTDIR/CCTM_PHOTDIAG3_${CTM_APPL}.nc -v\" #> 3D Optical and Radiative Results from Photolysis\n setenv CTM_SSEMIS_1 \"$OUTDIR/CCTM_SSEMIS_${CTM_APPL}.nc -v\" #> Sea Spray Emissions\n setenv CTM_DUST_EMIS_1 \"$OUTDIR/CCTM_DUSTEMIS_${CTM_APPL}.nc -v\" #> Dust Emissions\n setenv CTM_BUDGET \"$OUTDIR/CCTM_BUDGET_${CTM_APPL}.txt -v\" #> Budget [Default Off]\n setenv CTM_IPR_1 \"$OUTDIR/CCTM_PA_1_${CTM_APPL}.nc -v\" #> Process Analysis\n setenv CTM_IPR_2 \"$OUTDIR/CCTM_PA_2_${CTM_APPL}.nc -v\" #> Process Analysis\n setenv CTM_IPR_3 \"$OUTDIR/CCTM_PA_3_${CTM_APPL}.nc -v\" #> Process Analysis\n setenv CTM_IRR_1 \"$OUTDIR/CCTM_IRR_1_${CTM_APPL}.nc -v\" #> Chem Process Analysis\n setenv CTM_IRR_2 \"$OUTDIR/CCTM_IRR_2_${CTM_APPL}.nc -v\" #> Chem Process Analysis\n setenv CTM_IRR_3 \"$OUTDIR/CCTM_IRR_3_${CTM_APPL}.nc -v\" #> Chem Process Analysis\n setenv CTM_DRY_DEP_MOS \"$OUTDIR/CCTM_DDMOS_${CTM_APPL}.nc -v\" #> Dry Dep\n setenv CTM_DEPV_MOS \"$OUTDIR/CCTM_DEPVMOS_${CTM_APPL}.nc -v\" #> Dry Dep Velocity\n setenv CTM_VDIFF_DIAG \"$OUTDIR/CCTM_VDIFF_DIAG_${CTM_APPL}.nc -v\" #> Vertical Dispersion Diagnostic\n setenv CTM_VSED_DIAG \"$OUTDIR/CCTM_VSED_DIAG_${CTM_APPL}.nc -v\" #> Particle Grav. Settling Velocity\n setenv CTM_LTNGDIAG_1 \"$OUTDIR/CCTM_LTNGHRLY_${CTM_APPL}.nc -v\" #> Hourly Avg Lightning NO\n setenv CTM_LTNGDIAG_2 \"$OUTDIR/CCTM_LTNGCOL_${CTM_APPL}.nc -v\" #> Column Total Lightning NO\n setenv CTM_VEXT_1 \"$OUTDIR/CCTM_VEXT_${CTM_APPL}.nc -v\" #> On-Hour 3D Concs at select sites\n\n #> set floor file (neg concs)\n setenv FLOOR_FILE ${OUTDIR}/FLOOR_${CTM_APPL}.txt\n\n #> look for existing log files and output files\n ( ls CTM_LOG_???.${CTM_APPL} > buff.txt ) >& /dev/null\n ( ls ${LOGDIR}/CTM_LOG_???.${CTM_APPL} >> buff.txt ) >& /dev/null\n set log_test = `cat buff.txt`; rm -f buff.txt\n\n set OUT_FILES = (${FLOOR_FILE} ${S_CGRID} ${CTM_CONC_1} ${A_CONC_1} ${MEDIA_CONC} \\\n ${CTM_DRY_DEP_1} $CTM_DEPV_DIAG $B3GTS_S $MEGAN_SOILOUT $BEIS_SOILOUT $BDSNPOUT \\\n $CTM_WET_DEP_1 $CTM_WET_DEP_2 $CTM_ELMO_1 $CTM_AELMO_1 \\\n $CTM_RJ_1 $CTM_RJ_2 $CTM_RJ_3 $CTM_SSEMIS_1 $CTM_DUST_EMIS_1 $CTM_IPR_1 $CTM_IPR_2 \\\n $CTM_IPR_3 $CTM_BUDGET $CTM_IRR_1 $CTM_IRR_2 $CTM_IRR_3 $CTM_DRY_DEP_MOS \\\n $CTM_DEPV_MOS $CTM_VDIFF_DIAG $CTM_VSED_DIAG $CTM_LTNGDIAG_1 $CTM_LTNGDIAG_2 $CTM_VEXT_1 )\n if ( $?CTM_ISAM ) then\n if ( $CTM_ISAM == 'Y' || $CTM_ISAM == 'T' ) then\n set OUT_FILES = (${OUT_FILES} ${SA_ACONC_1} ${SA_CONC_1} ${SA_DD_1} ${SA_WD_1} \\\n ${SA_CGRID_1} )\n endif\n endif\n if ( $?CTM_DDM3D ) then\n if ( $CTM_DDM3D == 'Y' || $CTM_DDM3D == 'T' ) then\n set OUT_FILES = (${OUT_FILES} ${CTM_SENS_1} ${A_SENS_1} ${CTM_SWETDEP_1} ${CTM_SDRYDEP_1} )\n endif\n endif\n set OUT_FILES = `echo $OUT_FILES | sed \"s; -v;;g\" | sed \"s;MPI:;;g\" `\n ( ls $OUT_FILES > buff.txt ) >& /dev/null\n set out_test = `cat buff.txt`; rm -f buff.txt\n \n #> delete previous output if requested\n if ( $CLOBBER_DATA == true || $CLOBBER_DATA == TRUE ) then\n echo \n echo \"Existing Logs and Output Files for Day ${TODAYG} Will Be Deleted\"\n\n #> remove previous log files\n foreach file ( ${log_test} )\n #echo \"Deleting log file: $file\"\n /bin/rm -f $file \n end\n \n #> remove previous output files\n foreach file ( ${out_test} )\n #echo \"Deleting output file: $file\"\n /bin/rm -f $file \n end\n /bin/rm -f ${OUTDIR}/CCTM_DESID*${CTM_APPL}.nc\n\n else\n #> error if previous log files exist\n if ( \"$log_test\" != \"\" ) then\n echo \"*** Logs exist - run ABORTED ***\"\n echo \"*** To overide, set CLOBBER_DATA = TRUE in run_cctm.csh ***\"\n echo \"*** and these files will be automatically deleted. ***\"\n exit 1\n endif\n \n #> error if previous output files exist\n if ( \"$out_test\" != \"\" ) then\n echo \"*** Output Files Exist - run will be ABORTED ***\"\n foreach file ( $out_test )\n echo \" cannot delete $file\"\n end\n echo \"*** To overide, set CLOBBER_DATA = TRUE in run_cctm.csh ***\"\n echo \"*** and these files will be automatically deleted. ***\"\n exit 1\n endif\n endif\n\n #> for the run control ...\n setenv CTM_STDATE $YYYYJJJ\n setenv CTM_STTIME $STTIME\n setenv CTM_RUNLEN $NSTEPS\n setenv CTM_TSTEP $TSTEP\n setenv INIT_CONC_1 $ICpath/$ICFILE\n setenv BNDY_CONC_1 $BCpath/$BCFILE\n setenv OMI $OMIpath/$OMIfile\n setenv MIE_TABLE $OUTDIR/mie_table_coeffs_${compilerString}.txt\n setenv OPTICS_DATA $OMIpath/$OPTfile\n #setenv XJ_DATA $JVALpath/$JVALfile\n \n #> species defn & photolysis\n setenv gc_matrix_nml ${NMLpath}/GC_$MECH.nml\n setenv ae_matrix_nml ${NMLpath}/AE_$MECH.nml\n setenv nr_matrix_nml ${NMLpath}/NR_$MECH.nml\n setenv tr_matrix_nml ${NMLpath}/Species_Table_TR_0.nml\n \n #> check for photolysis input data\n setenv CSQY_DATA ${NMLpath}/CSQY_DATA_$MECH\n\n if (! (-e $CSQY_DATA ) ) then\n echo \" $CSQY_DATA not found \"\n exit 1\n endif\n if (! (-e $OPTICS_DATA ) ) then\n echo \" $OPTICS_DATA not found \"\n exit 1\n endif\n\n# ===================================================================\n#> Execution Portion\n# ===================================================================\n\n #> Print attributes of the executable\n if ( $CTM_DIAG_LVL != 0 ) then\n ls -l $BLD/$EXEC\n size $BLD/$EXEC\n unlimit\n limit\n endif\n\n #> Print Startup Dialogue Information to Standard Out\n echo \n echo \"CMAQ Processing of Day $YYYYMMDD Began at `date`\"\n echo \n\n #> Executable call for single PE, uncomment to invoke\n #( /usr/bin/time -p $BLD/$EXEC ) |& tee buff_${EXECUTION_ID}.txt\n\n #> Executable call for multi PE, configure for your system \n # set MPI = /usr/local/intel/impi/3.2.2.006/bin64\n # set MPIRUN = $MPI/mpirun\n ( /usr/bin/time -p mpirun -np $NPROCS $BLD/$EXEC ) |& tee buff_${EXECUTION_ID}.txt\n \n #> Harvest Timing Output so that it may be reported below\n set rtarray = \"${rtarray} `tail -3 buff_${EXECUTION_ID}.txt | grep -Eo '[+-]?[0-9]+([.][0-9]+)?' | head -1` \"\n rm -rf buff_${EXECUTION_ID}.txt\n\n #> Abort script if abnormal termination\n if ( ! -e $OUTDIR/CCTM_CGRID_${CTM_APPL}.nc ) then\n echo \"\"\n echo \"**************************************************************\"\n echo \"** Runscript Detected an Error: CGRID file was not written. **\"\n echo \"** This indicates that CMAQ was interrupted or an issue **\"\n echo \"** exists with writing output. The runscript will now **\"\n echo \"** abort rather than proceeding to subsequent days. **\"\n echo \"**************************************************************\"\n break\n endif\n\n #> Print Concluding Text\n echo \n echo \"CMAQ Processing of Day $YYYYMMDD Finished at `date`\"\n echo\n echo \"\\\\\\\\\\=====\\\\\\\\\\=====\\\\\\\\\\=====\\\\\\\\\\=====/////=====/////=====/////=====/////\"\n echo\n\n# ===================================================================\n#> Finalize Run for This Day and Loop to Next Day\n# ===================================================================\n\n #> Save Log Files and Move on to Next Simulation Day\n mv CTM_LOG_???.${CTM_APPL} $LOGDIR\n if ( $CTM_DIAG_LVL != 0 ) then\n mv CTM_DIAG_???.${CTM_APPL} $LOGDIR\n endif\n\n #> The next simulation day will, by definition, be a restart\n setenv NEW_START false\n\n #> Increment both Gregorian and Julian Days\n set TODAYG = `date -ud \"${TODAYG}+1days\" +%Y-%m-%d` #> Add a day for tomorrow\n set TODAYJ = `date -ud \"${TODAYG}\" +%Y%j` #> Convert YYYY-MM-DD to YYYYJJJ\n\nend #Loop to the next Simulation Day\n\n# ===================================================================\n#> Generate Timing Report\n# ===================================================================\nset RTMTOT = 0\nforeach it ( `seq ${NDAYS}` )\n set rt = `echo ${rtarray} | cut -d' ' -f${it}`\n set RTMTOT = `echo \"${RTMTOT} + ${rt}\" | bc -l`\nend\n\nset RTMAVG = `echo \"scale=2; ${RTMTOT} / ${NDAYS}\" | bc -l`\nset RTMTOT = `echo \"scale=2; ${RTMTOT} / 1\" | bc -l`\n\necho\necho \"==================================\"\necho \" ***** CMAQ TIMING REPORT *****\"\necho \"==================================\"\necho \"Start Day: ${START_DATE}\"\necho \"End Day: ${END_DATE}\"\necho \"Number of Simulation Days: ${NDAYS}\"\necho \"Domain Name: ${GRID_NAME}\"\necho \"Number of Grid Cells: ${NCELLS} (ROW x COL x LAY)\"\necho \"Number of Layers: ${NZ}\"\necho \"Number of Processes: ${NPROCS}\"\necho \" All times are in seconds.\"\necho\necho \"Num Day Wall Time\"\nset d = 0\nset day = ${START_DATE}\nforeach it ( `seq ${NDAYS}` )\n # Set the right day and format it\n set d = `echo \"${d} + 1\" | bc -l`\n set n = `printf \"%02d\" ${d}`\n\n # Choose the correct time variables\n set rt = `echo ${rtarray} | cut -d' ' -f${it}`\n\n # Write out row of timing data\n echo \"${n} ${day} ${rt}\"\n\n # Increment day for next loop\n set day = `date -ud \"${day}+1days\" +%Y-%m-%d`\nend\necho \" Total Time = ${RTMTOT}\"\necho \" Avg. Time = ${RTMAVG}\"\n\nexit\n" }, { "path": "CCTM/scripts/run_cctm_Bench_2018_12NE3_CRACMM2.csh", "content": "#!/bin/csh -f\n\n\n# ===================== CCTMv5.5.X STAGE CRACMM 12NE3 Run Script ========================= \n# Usage: run_cctm_2018_12NE3_v54_Base_STAGE_CRACMM.csh >&! cctm_2018_12NE3_CRACMM.log & \n#\n# To report problems or request help with this script/program: \n# http://www.epa.gov/cmaq (EPA CMAQ Website)\n# http://www.cmascenter.org (CMAS Website)\n# =================================================================== \n\n# ===================================================================\n#> Runtime Environment Options\n# ===================================================================\n\necho 'Start Model Run At ' `date`\n\n#> Toggle Diagnostic Mode which will print verbose information to \n#> standard output\n setenv CTM_DIAG_LVL 0\n\n#> Choose compiler and set up CMAQ environment with correct \n#> libraries using config.cmaq. Options: intel | gcc | pgi\n if ( ! $?compiler ) then\n setenv compiler gcc \n endif\n if ( ! $?compilerVrsn ) then\n setenv compilerVrsn Empty\n endif\n\n#> Source the config.cmaq file to set the build environment\n cd ../..\n source ./config_cmaq.csh $compiler $compilerVrsn\n cd CCTM/scripts\n\n#> Set General Parameters for Configuring the Simulation\n set VRSN = v55 #> Code Version\n set PROC = mpi #> serial or mpi\n set MECH = cracmm2 #> Mechanism ID\n set DEP = stage\n set APPL = Bench_2018_12NE3_${MECH}_${DEP} #> Application Name (e.g. Gridname)\n \n#> Define RUNID as any combination of parameters above or others. By default,\n#> this information will be collected into this one string, $RUNID, for easy\n#> referencing in output binaries and log files as well as in other scripts.\n setenv RUNID ${VRSN}_${compilerString}_${APPL}\n\n#> Set the build directory (this is where the CMAQ executable\n#> is located by default).\n set BLD = ${CMAQ_HOME}/CCTM/scripts/BLD_CCTM_${VRSN}_${compilerString}_${MECH}_${DEP}\n set EXEC = CCTM_${VRSN}.exe \n\n#> Output Each line of Runscript to Log File\n if ( $CTM_DIAG_LVL != 0 ) set echo \n\n#> Set Working, Input, and Output Directories\n setenv WORKDIR ${CMAQ_HOME}/CCTM/scripts #> Working Directory. Where the runscript is.\n setenv OUTDIR ${CMAQ_DATA}/output_CCTM_${RUNID} #> Output Directory\n setenv INPDIR ${CMAQ_DATA}/CMAQv5.5_2018_12NE3_Benchmark_cracmm2_stage_2Day_Input/2018_12NE3 #Input Directory\n setenv LOGDIR ${OUTDIR}/LOGS #> Log Directory Location\n setenv NMLpath ${BLD} #> Location of Namelists. Common places are: \n #> ${WORKDIR} | ${CCTM_SRC}/MECHS/${MECH} | ${BLD}\n\n echo \"\"\n echo \"Working Directory is $WORKDIR\"\n echo \"Build Directory is $BLD\"\n echo \"Output Directory is $OUTDIR\"\n echo \"Log Directory is $LOGDIR\"\n echo \"Executable Name is $EXEC\"\n\n# =====================================================================\n#> CCTM Configuration Options\n# =====================================================================\n\n#> Set Start and End Days for looping\n setenv NEW_START TRUE #> Set to FALSE for model restart\n set START_DATE = \"2018-07-01\" #> beginning date (July 1, 2016)\n set END_DATE = \"2018-07-02\" #> ending date (July 1, 2016)\n\n#> Set Timestepping Parameters\nset STTIME = 000000 #> beginning GMT time (HHMMSS)\nset NSTEPS = 240000 #> time duration (HHMMSS) for this run\nset TSTEP = 010000 #> output time step interval (HHMMSS)\n\n#> Horizontal domain decomposition\nif ( $PROC == serial ) then\n setenv NPCOL_NPROW \"1 1\"; set NPROCS = 1 # single processor setting\nelse\n @ NPCOL = 8; @ NPROW = 4\n @ NPROCS = $NPCOL * $NPROW\n setenv NPCOL_NPROW \"$NPCOL $NPROW\"; \nendif\n\n#> Define Execution ID: e.g. [CMAQ-Version-Info]_[User]_[Date]_[Time]\nif ( ! -e ${BLD}/CCTM_${VRSN}.cfg ) then\n set SHAID = \"\"\nelse\n set SHAID = `grep \"sha_ID\" ${BLD}/CCTM_${VRSN}.cfg | cut -c 13-22`\n if ( $SHAID == not_a_repo ) then\n set SHAID = \"\"\n else\n set SHAID = \"_sha=\"$SHAID\n endif\nendif\nsetenv EXECUTION_ID \"CMAQ_CCTM${VRSN}${SHAID}_`id -u -n`_`date -u +%Y%m%d_%H%M%S_%N`\" #> Inform IO/API of the Execution ID\necho \"\"\necho \"---CMAQ EXECUTION ID: $EXECUTION_ID ---\"\n\n#> Keep or Delete Existing Output Files\nset CLOBBER_DATA = TRUE \n\n#> Logfile Options\n#> Master Log File Name; uncomment to write standard output to a log, otherwise write to screen\n#setenv LOGFILE $CMAQ_HOME/$RUNID.log \nif (! -e $LOGDIR ) then\n mkdir -p $LOGDIR\nendif\nsetenv PRINT_PROC_TIME Y #> Print timing for all science subprocesses to Logfile\n #> [ default: TRUE or Y ]\nsetenv STDOUT T #> Override I/O-API trying to write information to both the processor \n #> logs and STDOUT [ options: T | F ]\n\nsetenv GRID_NAME 2018_12NE3 #> check GRIDDESC file for GRID_NAME options\nsetenv GRIDDESC $INPDIR/GRIDDESC #> grid description file\n\n#> Retrieve the number of columns, rows, and layers in this simulation\nset NZ = 35\nset NX = `grep -A 1 ${GRID_NAME} ${GRIDDESC} | tail -1 | sed 's/ */ /g' | cut -d' ' -f6`\nset NY = `grep -A 1 ${GRID_NAME} ${GRIDDESC} | tail -1 | sed 's/ */ /g' | cut -d' ' -f7`\nset NCELLS = `echo \"${NX} * ${NY} * ${NZ}\" | bc -l`\n\n#> Output Species and Layer Options\n #> CONC file species; comment or set to \"ALL\" to write all species to CONC\n #setenv CONC_SPCS \"O3 NO ANO3I ANO3J NO2 HCHO ISOP NH3 ANH4I ANH4J ASO4I ASO4J\" \n #setenv CONC_BLEV_ELEV \" 1 1\" #> CONC file layer range; comment to write all layers to CONC\n\n #> ACONC file species; comment or set to \"ALL\" to write all species to ACONC\n #setenv AVG_CONC_SPCS \"O3 NO CO NO2 ASO4I ASO4J NH3\" \n setenv AVG_CONC_SPCS \"ALL\" \n setenv ACONC_BLEV_ELEV \" 1 1\" #> ACONC file layer range; comment to write all layers to ACONC\n setenv AVG_FILE_ENDTIME N #> override default beginning ACONC timestamp [ default: N ]\n\n#> Synchronization Time Step and Tolerance Options\nsetenv CTM_MAXSYNC 300 #> max sync time step (sec) [ default: 720 ]\nsetenv CTM_MINSYNC 60 #> min sync time step (sec) [ default: 60 ]\nsetenv SIGMA_SYNC_TOP 0.7 #> top sigma level thru which sync step determined [ default: 0.7 ] \n#setenv ADV_HDIV_LIM 0.95 #> maximum horiz. div. limit for adv step adjust [ default: 0.9 ]\nsetenv CTM_ADV_CFL 0.95 #> max CFL [ default: 0.75]\n#setenv RB_ATOL 1.0E-09 #> global ROS3 solver absolute tolerance [ default: 1.0E-07 ] \n\n#> Science Options\nsetenv CTM_OCEAN_CHEM Y #> Flag for ocean halogen chemistry, sea spray aerosol emissions,\n #> and enhanced ozone deposition over ocean waters [ default: Y ]\nsetenv CTM_WB_DUST N #> use inline windblown dust emissions (only for use with PX) [ default: N ]\nsetenv CTM_LTNG_NO N #> turn on lightning NOx [ default: N ]\nsetenv KZMIN Y #> use Min Kz option in edyintb [ default: Y ], \n #> otherwise revert to Kz0UT\nsetenv PX_VERSION Y #> WRF PX LSM\nsetenv CLM_VERSION N #> WRF CLM LSM\nsetenv NOAH_VERSION N #> WRF NOAH LSM\nsetenv CTM_ABFLUX Y #> ammonia bi-directional flux for in-line deposition \n #> velocities [ default: N ]\nsetenv CTM_BIDI_FERT_NH3 T #> subtract fertilizer NH3 from emissions because it will be handled\n #> by the BiDi calculation [ default: Y ]\nsetenv CTM_HGBIDI N #> mercury bi-directional flux for in-line deposition \n #> velocities [ default: N ]\nsetenv CTM_SFC_HONO Y #> surface HONO interaction [ default: Y ]\n #> please see user guide (6.10.4 Nitrous Acid (HONO)) \n #> for dependency on percent urban fraction dataset\nsetenv CTM_GRAV_SETL Y #> vdiff aerosol gravitational sedimentation [ default: Y ]\nsetenv CTM_PVO3 N #> consider potential vorticity module for O3 transport from the stratosphere \n #> [default: N]\n\nsetenv CTM_BIOGEMIS_BE Y #> calculate in-line biogenic emissions with BEIS [ default: N ]\nsetenv CTM_BIOGEMIS_MG N #> turns on MEGAN biogenic emission [ default: N ]\nsetenv BDSNP_MEGAN N #> turns on BDSNP soil NO emissions [ default: N ]\n\nsetenv AEROSOL_OPTICS 3 #> sets method for determining aerosol optics affecting photolysis\n #> frequencies ( 3 is the default value )\n #> VALUES 1 thru 3 determined Uniformly Volume Mixed spherical\n #> (1-Tabular Mie; 2-Mie Calculation; 3-Case Approx to Mie Theory)\n #> VALUES 4 thru 6 attempts to use core-shell mixing model when the\n #> aerosol mode has signficant black carbon core otherwise use Volume Mixed\n #> model where optics determined by\n #> (4-Tabular Mie; 5-Mie Calculation; 6-Case Approx to Mie Theory)\n\n#> Surface Tiled Aerosol and Gaseous Exchange Options\n#> Only active if DepMod=stage at compile time\nsetenv CTM_MOSAIC N #> Output landuse specific deposition velocities [ default: N ]\nsetenv CTM_STAGE_P22 N #> Pleim et al. 2022 Aerosol deposition model [default: N]\nsetenv CTM_STAGE_E20 Y #> Emerson et al. 2020 Aerosol deposition model [default: Y]\nsetenv CTM_STAGE_S22 N #> Shu et al. 2022 (CMAQ v5.3) Aerosol deposition model [default: N]\n\nsetenv IC_AERO_M2WET F #> Specify whether or not initial condition aerosol size distribution \n #> is wet or dry [ default: F = dry ]\nsetenv BC_AERO_M2WET F #> Specify whether or not boundary condition aerosol size distribution \n #> is wet or dry [ default: F = dry ]\nsetenv IC_AERO_M2USE F #> Specify whether or not to use aerosol surface area from initial \n #> conditions [ default: T = use aerosol surface area ]\nsetenv BC_AERO_M2USE F #> Specify whether or not to use aerosol surface area from boundary \n #> conditions [ default: T = use aerosol surface area ]\n\n\n#> Vertical Extraction Options\nsetenv VERTEXT N\nsetenv VERTEXT_COORD_PATH ${WORKDIR}/lonlat.csv\n\n#> I/O Controls\nsetenv IOAPI_LOG_WRITE F #> turn on excess WRITE3 logging [ options: T | F ]\nsetenv FL_ERR_STOP N #> stop on inconsistent input files\nsetenv PROMPTFLAG F #> turn on I/O-API PROMPT*FILE interactive mode [ options: T | F ]\nsetenv IOAPI_OFFSET_64 YES #> support large timestep records (>2GB/timestep record) [ options: YES | NO ]\nsetenv IOAPI_CHECK_HEADERS N #> check file headers [ options: Y | N ]\nsetenv CTM_EMISCHK N #> Abort CMAQ if missing surrogates from emissions Input files\n\n#> Diagnostic Output Flags\nsetenv CTM_CKSUM Y #> checksum report [ default: Y ]\nsetenv CLD_DIAG N #> cloud diagnostic file [ default: N ]\n\nsetenv CTM_PHOTDIAG N #> photolysis diagnostic file [ default: N ]\nsetenv NLAYS_PHOTDIAG \"1\" #> Number of layers for PHOTDIAG2 and PHOTDIAG3 from \n #> Layer 1 to NLAYS_PHOTDIAG [ default: all layers ] \n#setenv NWAVE_PHOTDIAG \"294 303 310 316 333 381 607\" #> Wavelengths written for variables\n #> in PHOTDIAG2 and PHOTDIAG3 \n #> [ default: all wavelengths ]\n\nsetenv CTM_SSEMDIAG N #> sea-spray emissions diagnostic file [ default: N ]\nsetenv CTM_DUSTEM_DIAG N #> windblown dust emissions diagnostic file [ default: N ]; \n #> Ignore if CTM_WB_DUST = N\nsetenv CTM_DEPV_FILE N #> deposition velocities diagnostic file [ default: N ]\nsetenv VDIFF_DIAG_FILE N #> vdiff & possibly aero grav. sedimentation diagnostic file [ default: N ]\nsetenv LTNGDIAG N #> lightning diagnostic file [ default: N ]\nsetenv B3GTS_DIAG N #> BEIS mass emissions diagnostic file [ default: N ]\nsetenv CTM_WVEL Y #> save derived vertical velocity component to conc \n #> file [ default: Y ]\n\n# =====================================================================\n#> Input Directories and Filenames\n# =====================================================================\n\nset ICpath = $INPDIR/icbc #> initial conditions input directory \nset BCpath = $INPDIR/icbc #> boundary conditions input directory\nset EMISpath = $INPDIR/emis #> gridded emissions input directory\nset IN_PTpath = $INPDIR/emis #> point source emissions input directory\nset IN_LTpath = $INPDIR/lightning #> lightning NOx input directory\nset METpath = $INPDIR/met/mcipv5.4 #> meteorology input directory \n#set JVALpath = $INPDIR/jproc #> offline photolysis rate table directory\nset OMIpath = $BLD #> ozone column data for the photolysis model\nset EPICpath = $INPDIR/epic #> EPIC putput for bidirectional NH3\nset SZpath = $INPDIR/surface #> surf zone file for in-line seaspray emissions\n\n# =====================================================================\n#> Begin Loop Through Simulation Days\n# =====================================================================\nset rtarray = \"\"\n\nset TODAYG = ${START_DATE}\nset TODAYJ = `date -ud \"${START_DATE}\" +%Y%j` #> Convert YYYY-MM-DD to YYYYJJJ\nset START_DAY = ${TODAYJ} \nset STOP_DAY = `date -ud \"${END_DATE}\" +%Y%j` #> Convert YYYY-MM-DD to YYYYJJJ\nset NDAYS = 0\n\nwhile ($TODAYJ <= $STOP_DAY ) #>Compare dates in terms of YYYYJJJ\n \n set NDAYS = `echo \"${NDAYS} + 1\" | bc -l`\n\n #> Retrieve Calendar day Information\n set YYYYMMDD = `date -ud \"${TODAYG}\" +%Y%m%d` #> Convert YYYY-MM-DD to YYYYMMDD\n set YYYYMM = `date -ud \"${TODAYG}\" +%Y%m` #> Convert YYYY-MM-DD to YYYYMM\n set YYMMDD = `date -ud \"${TODAYG}\" +%y%m%d` #> Convert YYYY-MM-DD to YYMMDD\n set MM = `date -ud \"${TODAYG}\" +%m` #> Convert YYYY-MM-DD to MM \n set YYYYJJJ = $TODAYJ\n\n #> Calculate Yesterday's Date\n set YESTERDAY = `date -ud \"${TODAYG}-1days\" +%Y%m%d` #> Convert YYYY-MM-DD to YYYYJJJ\n\n# =====================================================================\n#> Set Output String and Propagate Model Configuration Documentation\n# =====================================================================\n echo \"\"\n echo \"Set up input and output files for Day ${TODAYG}.\"\n\n #> set output file name extensions\n setenv CTM_APPL ${RUNID}_${YYYYMMDD} \n \n #> Copy Model Configuration To Output Folder\n if ( ! -d \"$OUTDIR\" ) mkdir -p $OUTDIR\n cp $BLD/CCTM_${VRSN}.cfg $OUTDIR/CCTM_${CTM_APPL}.cfg\n\n# =====================================================================\n#> Input Files (Some are Day-Dependent)\n# =====================================================================\n\n #> Initial conditions\n if ($NEW_START == true || $NEW_START == TRUE ) then\n setenv ICFILE CCTM_ICON_v55_CRACMM2_STAGE_12NE3_20180701.nc \n setenv INIT_MEDC_1 notused\n else\n set ICpath = $OUTDIR\n setenv ICFILE CCTM_CGRID_${RUNID}_${YESTERDAY}.nc\n setenv INIT_MEDC_1 $ICpath/CCTM_MEDIA_CONC_${RUNID}_${YESTERDAY}.nc\n endif\n\n #> Boundary conditions\n set BCFILE = BCON_v55_CRACMM2_STAGE_2018_12NE3_${YYYYMMDD}.nc\n\n #> Off-line photolysis rates \n #set JVALfile = JTABLE_${YYYYJJJ}\n\n #> Ozone column data\n set OMIfile = OMI_1979_to_2019.dat\n\n #> Optics file\n set OPTfile = PHOT_OPTICS.dat\n\n #> MCIP meteorology files \n setenv GRID_BDY_2D $METpath/GRIDBDY2D_12NE3_${YYYYMMDD}.nc # GRID files are static, not day-specific\n setenv GRID_CRO_2D $METpath/GRIDCRO2D_12NE3_${YYYYMMDD}.nc\n setenv GRID_CRO_3D $METpath/GRIDCRO3D_12NE3_${YYYYMMDD}.nc\n setenv GRID_DOT_2D $METpath/GRIDDOT2D_12NE3_${YYYYMMDD}.nc\n setenv MET_CRO_2D $METpath/METCRO2D_12NE3_${YYYYMMDD}.nc\n setenv MET_CRO_3D $METpath/METCRO3D_12NE3_${YYYYMMDD}.nc\n setenv MET_DOT_3D $METpath/METDOT3D_12NE3_${YYYYMMDD}.nc\n setenv MET_BDY_3D $METpath/METBDY3D_12NE3_${YYYYMMDD}.nc\n setenv LUFRAC_CRO $METpath/LUFRAC_CRO_12NE3_${YYYYMMDD}.nc\n\n #> Control Files\n #>\n #> IMPORTANT NOTE\n #>\n #> The DESID control files defined below are an integral part of controlling the behavior of the model simulation.\n #> Among other things, they control the mapping of species in the emission files to chemical species in the model and\n #> several aspects related to the simulation of organic aerosols.\n #> Please carefully review the DESID control files to ensure that they are configured to be consistent with the assumptions\n #> made when creating the emission files defined below and the desired representation of organic aerosols.\n #> For further information, please see:\n #> + AERO7 Release Notes section on 'Required emission updates':\n #> https://github.com/USEPA/CMAQ/blob/master/DOCS/Release_Notes/aero7_overview.md\n #> + CMAQ User's Guide section 6.9.3 on 'Emission Compatability':\n #> https://github.com/USEPA/CMAQ/blob/master/DOCS/Users_Guide/CMAQ_UG_ch06_model_configuration_options.md#6.9.3_Emission_Compatability\n #> + Emission Control (DESID) Documentation in the CMAQ User's Guide:\n #> https://github.com/USEPA/CMAQ/blob/master/DOCS/Users_Guide/Appendix/CMAQ_UG_appendixB_emissions_control.md\n #>\n setenv DESID_CTRL_NML ${BLD}/CMAQ_Control_DESID.nml\n setenv DESID_CHEM_CTRL_NML ${BLD}/CMAQ_Control_DESID_${MECH}.nml\n\n #> The following namelist configures aggregated output (via the Explicit and Lumped\n #> Air Quality Model Output (ELMO) Module), domain-wide budget output, and chemical\n #> family output.\n setenv MISC_CTRL_NML ${BLD}/CMAQ_Control_Misc.nml\n\n #> The following namelist controls the mapping of meteorological land use types and the NH3 and Hg emission\n #> potentials\n setenv STAGECTRL_NML ${BLD}/CMAQ_Control_STAGE.nml\n \n #> Spatial Masks For Emissions Scaling\n #setenv CMAQ_MASKS $SZpath/OCEAN_${MM}_L3m_MC_CHL_chlor_a_12NE3.nc #> horizontal grid-dependent ocean file\n setenv CMAQ_MASKS $INPDIR/surface/GRIDMASK_STATES_12NE3.nc\n\n #> Gridded Emissions Files \n setenv N_EMIS_GR 2\n set EMISfile = emis_mole_all_${YYYYMMDD}_12NE3_nobeis_norwc_WR705_2018gc2.ncf\n setenv GR_EMIS_001 ${EMISpath}/merged_nobeis_norwc/${EMISfile}\n setenv GR_EMIS_LAB_001 GRIDDED_EMIS\n setenv GR_EM_SYM_DATE_001 F # To change default behaviour please see Users Guide for EMIS_SYM_DATE\n\n set EMISfile = emis_mole_rwc_${YYYYMMDD}_12NE3_cmaq_cracmmv2_WR705_2018gc2.ncf\n setenv GR_EMIS_002 ${EMISpath}/rwc/${EMISfile}\n setenv GR_EMIS_LAB_002 GR_RES_FIRES\n setenv GR_EM_SYM_DATE_002 F # To change default behaviour please see Users Guide for EMIS_SYM_DATE\n\n #> In-line point emissions configuration\n setenv N_EMIS_PT 10 #> Number of elevated source groups\n\n set STKCASEE = 12US1_cmaq_cracmmv2_WR705_2018gc2 # In-line Emission Rate File Suffix\n set STKCASEG = 12US1_WR705_2018gc2 # Stack parameter File Suffix\n\n # Time-Independent Stack Parameters for Inline Point Sources\n setenv STK_GRPS_001 $IN_PTpath/ptnonipm/stack_groups_ptnonipm_${STKCASEG}.ncf\n setenv STK_GRPS_002 $IN_PTpath/ptegu/stack_groups_ptegu_${STKCASEG}.ncf\n setenv STK_GRPS_003 $IN_PTpath/othpt/stack_groups_othpt_${STKCASEG}.ncf\n setenv STK_GRPS_004 $IN_PTpath/ptagfire/stack_groups_ptagfire_${YYYYMMDD}_${STKCASEG}.ncf\n setenv STK_GRPS_005 $IN_PTpath/ptfire_grass/stack_groups_ptfire_grass_${YYYYMMDD}_${STKCASEG}.ncf\n setenv STK_GRPS_006 $IN_PTpath/ptfire/stack_groups_ptfire_${YYYYMMDD}_${STKCASEG}.ncf\n setenv STK_GRPS_007 $IN_PTpath/ptfire_othna/stack_groups_ptfire_othna_${YYYYMMDD}_${STKCASEG}.ncf\n setenv STK_GRPS_008 $IN_PTpath/pt_oilgas/stack_groups_pt_oilgas_${STKCASEG}.ncf\n setenv STK_GRPS_009 $IN_PTpath/cmv_c3_12/stack_groups_cmv_c3_12_${STKCASEG}.ncf\n setenv STK_GRPS_010 $IN_PTpath/cmv_c1c2_12/stack_groups_cmv_c1c2_12_${STKCASEG}.ncf\n\n # Emission Rates for Inline Point Sources\n setenv STK_EMIS_001 $IN_PTpath/ptnonipm/inln_mole_ptnonipm_${YYYYMMDD}_${STKCASEE}.ncf\n setenv STK_EMIS_002 $IN_PTpath/ptegu/inln_mole_ptegu_${YYYYMMDD}_${STKCASEE}.ncf\n setenv STK_EMIS_003 $IN_PTpath/othpt/inln_mole_othpt_${YYYYMMDD}_${STKCASEE}.ncf\n setenv STK_EMIS_004 $IN_PTpath/ptagfire/inln_mole_ptagfire_${YYYYMMDD}_${STKCASEE}.ncf\n setenv STK_EMIS_005 $IN_PTpath/ptfire_grass/inln_mole_ptfire_grass_${YYYYMMDD}_${STKCASEE}.ncf\n setenv STK_EMIS_006 $IN_PTpath/ptfire/inln_mole_ptfire_${YYYYMMDD}_${STKCASEE}.ncf\n setenv STK_EMIS_007 $IN_PTpath/ptfire_othna/inln_mole_ptfire_othna_${YYYYMMDD}_${STKCASEE}.ncf\n setenv STK_EMIS_008 $IN_PTpath/pt_oilgas/inln_mole_pt_oilgas_${YYYYMMDD}_${STKCASEE}.ncf\n setenv STK_EMIS_009 $IN_PTpath/cmv_c3_12/inln_mole_cmv_c3_12_${YYYYMMDD}_${STKCASEE}.ncf\n setenv STK_EMIS_010 $IN_PTpath/cmv_c1c2_12/inln_mole_cmv_c1c2_12_${YYYYMMDD}_${STKCASEE}.ncf\n\n # Label Each Emissions Stream\n setenv STK_EMIS_LAB_001 PT_NONEGU\n setenv STK_EMIS_LAB_002 PT_EGU\n setenv STK_EMIS_LAB_003 PT_OTHER\n setenv STK_EMIS_LAB_004 PT_AGFIRES\n setenv STK_EMIS_LAB_005 PT_RXFIRES\n setenv STK_EMIS_LAB_006 PT_FIRES\n setenv STK_EMIS_LAB_007 PT_OTHFIRES\n setenv STK_EMIS_LAB_008 PT_OILGAS\n setenv STK_EMIS_LAB_009 PT_CMV_C3\n setenv STK_EMIS_LAB_010 PT_CMV_C1C2\n\n # Allow CMAQ to Use Point Source files with dates that do not\n # match the internal model date\n # To change default behaviour please see Users Guide for EMIS_SYM_DATE\n setenv STK_EM_SYM_DATE_001 F\n setenv STK_EM_SYM_DATE_002 F\n setenv STK_EM_SYM_DATE_003 F\n setenv STK_EM_SYM_DATE_004 F\n setenv STK_EM_SYM_DATE_005 F\n setenv STK_EM_SYM_DATE_006 F\n setenv STK_EM_SYM_DATE_007 F\n setenv STK_EM_SYM_DATE_008 F\n\n #> Lightning NOx configuration\n if ( $CTM_LTNG_NO == 'Y' ) then\n setenv LTNGNO \"InLine\" #> set LTNGNO to \"Inline\" to activate in-line calculation\n\n #> In-line lightning NOx options\n setenv USE_NLDN Y #> use hourly NLDN strike file [ default: Y ]\n if ( $USE_NLDN == Y ) then\n setenv NLDN_STRIKES ${IN_LTpath}/NLDN_12km_60min_${YYYYMMDD}.ioapi\n endif\n setenv LTNGPARMS_FILE ${IN_LTpath}/LTNG_AllParms_12NE3.nc #> lightning parameter file\n endif\n\n #> In-line biogenic emissions configuration\n if ( $CTM_BIOGEMIS_BE == 'Y' ) then\n set IN_BEISpath = ${INPDIR}/surface\n setenv GSPRO $BLD/gspro_biogenics.txt\n setenv BEIS_NORM_EMIS $IN_BEISpath/beis4_beld6_norm_emis.12NE3.nc\n setenv BEIS_SOILINP $OUTDIR/CCTM_BSOILOUT_${RUNID}_${YESTERDAY}.nc\n #> Biogenic NO soil input file; ignore if NEW_START = TRUE\n endif\n if ( $CTM_BIOGEMIS_MG == 'Y' ) then\n setenv MEGAN_SOILINP $OUTDIR/CCTM_MSOILOUT_${RUNID}_${YESTERDAY}.nc\n #> Biogenic NO soil input file; ignore if INITIAL_RUN = Y\n #> ; ignore if IGNORE_SOILINP = Y\n setenv MEGAN_CTS $SZpath/megan3.2/CT3_CONUS.ncf\n setenv MEGAN_EFS $SZpath/megan3.2/EFMAPS_CONUS.ncf\n setenv MEGAN_LDF $SZpath/megan3.2/LDF_CONUS.ncf\n if ($BDSNP_MEGAN == 'Y') then\n setenv BDSNPINP $OUTDIR/CCTM_BDSNPOUT_${RUNID}_${YESTERDAY}.nc\n setenv BDSNP_FFILE $SZpath/megan3.2/FERT_tceq_12km.ncf\n setenv BDSNP_NFILE $SZpath/megan3.2/NDEP_tceq_12km.ncf\n setenv BDSNP_LFILE $SZpath/megan3.2/LANDTYPE_tceq_12km.ncf\n setenv BDSNP_AFILE $SZpath/megan3.2/ARID_tceq_12km.ncf\n setenv BDSNP_NAFILE $SZpath/megan3.2/NONARID_tceq_12km.ncf\n endif\n endif\n\n #> In-line sea spray emissions configuration\n setenv OCEAN_1 $SZpath/OCEAN_${MM}_L3m_MC_CHL_chlor_a_12NE3.nc #> horizontal grid-dependent ocean file\n\n #> Bidirectional ammonia configuration\n if ( $CTM_ABFLUX == 'Y' ) then\n setenv E2C_SOIL ${EPICpath}/2018r1_EPIC0509_12NE3_soil.nc\n setenv E2C_CHEM ${EPICpath}/2018r1_EPIC0509_12NE3_time${YYYYMMDD}.nc\n setenv E2C_CHEM_YEST ${EPICpath}/2018r1_EPIC0509_12NE3_time${YESTERDAY}.nc\n setenv E2C_LU ${EPICpath}/beld4_12NE3_2011.nc\n endif\n\n#> Inline Process Analysis \n setenv CTM_PROCAN N #> use process analysis [ default: N]\n if ( $?CTM_PROCAN ) then # $CTM_PROCAN is defined\n if ( $CTM_PROCAN == 'Y' || $CTM_PROCAN == 'T' ) then\n#> process analysis global column, row and layer ranges\n# setenv PA_BCOL_ECOL \"10 90\" # default: all columns\n# setenv PA_BROW_EROW \"10 80\" # default: all rows\n# setenv PA_BLEV_ELEV \"1 4\" # default: all levels\n setenv PACM_INFILE ${NMLpath}/pa_${MECH}.ctl\n setenv PACM_REPORT $OUTDIR/\"PA_REPORT\".${YYYYMMDD}\n endif\n endif\n\n#> Integrated Source Apportionment Method (ISAM) Options\n setenv CTM_ISAM N\n if ( $?CTM_ISAM ) then\n if ( $CTM_ISAM == 'Y' || $CTM_ISAM == 'T' ) then\n setenv SA_IOLIST ${WORKDIR}/isam_control.2018_12NE3.txt\n setenv ISAM_BLEV_ELEV \" 1 1\"\n setenv AISAM_BLEV_ELEV \" 1 1\"\n\n #> Set Up ISAM Initial Condition Flags\n if ($NEW_START == true || $NEW_START == TRUE ) then\n setenv ISAM_NEW_START Y\n setenv ISAM_PREVDAY\n else\n setenv ISAM_NEW_START N\n setenv ISAM_PREVDAY \"$OUTDIR/CCTM_SA_CGRID_${RUNID}_${YESTERDAY}.nc\"\n endif\n\n #> Set Up ISAM Output Filenames\n setenv SA_ACONC_1 \"$OUTDIR/CCTM_SA_ACONC_${CTM_APPL}.nc -v\"\n setenv SA_CONC_1 \"$OUTDIR/CCTM_SA_CONC_${CTM_APPL}.nc -v\"\n setenv SA_DD_1 \"$OUTDIR/CCTM_SA_DRYDEP_${CTM_APPL}.nc -v\"\n setenv SA_WD_1 \"$OUTDIR/CCTM_SA_WETDEP_${CTM_APPL}.nc -v\"\n setenv SA_CGRID_1 \"$OUTDIR/CCTM_SA_CGRID_${CTM_APPL}.nc -v\"\n\n #> Set optional ISAM regions files\n setenv ISAM_REGIONS $INPDIR/surface/GRIDMASK_STATES_12NE3.nc\n\n #> Options used to favor tracked species in reaction for Ozone-NOx chemistry\n setenv ISAM_O3_WEIGHTS 5 # weights for tracked species Default is 5\n # OPTIONS\n # 1 does not weight any species\n # 2 weights NOx and subset of NOz species\n # 3 uses with from option 2 plus weight OVOC species, organic radicals and operators\n # 4 weight OVOC species, organic radicals and operators\n # 5 toggles between two weighting set based on VOC and NOx limited ozone production\n # Below options only used if ISAM_O3_WEIGHTS set to 5\n setenv ISAM_NOX_CASE 2 # weights for tracked species when ozone production is NOx limited. Default is 2\n setenv ISAM_VOC_CASE 4 # weights for tracked species when ozone production is VOC limited. Default is 4\n setenv VOC_NOX_TRANS 0.35 # value of Prod H2O2 over Prod HNO3 less than where\n # ISAM_VOC_CASE weights are used. Otherwise, ISAM_NOX_CASE\n # weights are used. Default is 0.35\n\n endif\n endif\n\n\n#> Sulfur Tracking Model (STM)\n setenv STM_SO4TRACK N #> sulfur tracking [ default: N ]\n if ( $?STM_SO4TRACK ) then\n if ( $STM_SO4TRACK == 'Y' || $STM_SO4TRACK == 'T' ) then\n\n #> option to normalize sulfate tracers [ default: Y ]\n setenv STM_ADJSO4 Y\n\n endif\n endif\n\n#> Decoupled Direct Method in 3D (DDM-3D) Options\n setenv CTM_DDM3D N # Sets up requisite script settings for DDM-3D (default is N/F)\n # Additionally requires for CCTM to be compiled for DDM-3D simulations\n\n set NPMAX = 1 # Number of sensitivity parameters defined in SEN_INPUT\n setenv SEN_INPUT ${WORKDIR}/sensinput.2018_12NE3.dat\n\n setenv DDM3D_HIGH N # allow higher-order sensitivity parameters in SEN_INPUT [ T | Y | F | N ] (default is N/F)\n\n if ($NEW_START == true || $NEW_START == TRUE ) then\n setenv DDM3D_RST N # begins from sensitivities from a restart file [ T | Y | F | N ] (default is Y/T)\n set S_ICpath = # sensitivity fields are initialized to 0.0 on the first hour of the first day\n set S_ICfile =\n else\n setenv DDM3D_RST Y # begins from sensitivities from a restart file [ T | Y | F | N ] (default is Y/T) \n set S_ICpath = $OUTDIR\n set S_ICfile = CCTM_SENGRID_${RUNID}_${YESTERDAY}.nc\n endif\n\n setenv CTM_NPMAX $NPMAX\n setenv CTM_SENS_1 \"$OUTDIR/CCTM_SENGRID_${CTM_APPL}.nc -v\"\n setenv A_SENS_1 \"$OUTDIR/CCTM_ASENS_${CTM_APPL}.nc -v\"\n setenv CTM_SWETDEP_1 \"$OUTDIR/CCTM_SENWDEP_${CTM_APPL}.nc -v\"\n setenv CTM_SDRYDEP_1 \"$OUTDIR/CCTM_SENDDEP_${CTM_APPL}.nc -v\"\n setenv INIT_SENS_1 $S_ICpath/$S_ICfile\n \n \n# =====================================================================\n#> Output Files\n# =====================================================================\n\n #> set output file names\n setenv S_CGRID \"$OUTDIR/CCTM_CGRID_${CTM_APPL}.nc\" #> 3D Inst. Concentrations\n setenv CTM_CONC_1 \"$OUTDIR/CCTM_CONC_${CTM_APPL}.nc -v\" #> On-Hour Concentrations\n setenv A_CONC_1 \"$OUTDIR/CCTM_ACONC_${CTM_APPL}.nc -v\" #> Hourly Avg. Concentrations\n setenv MEDIA_CONC \"$OUTDIR/CCTM_MEDIA_CONC_${CTM_APPL}.nc -v\" #> NH3 Conc. in Media\n setenv CTM_DRY_DEP_1 \"$OUTDIR/CCTM_DRYDEP_${CTM_APPL}.nc -v\" #> Hourly Dry Deposition\n setenv CTM_DEPV_DIAG \"$OUTDIR/CCTM_DEPV_${CTM_APPL}.nc -v\" #> Dry Deposition Velocities\n setenv B3GTS_S \"$OUTDIR/CCTM_B3GTS_S_${CTM_APPL}.nc -v\" #> Biogenic Emissions\n setenv BEIS_SOILOUT \"$OUTDIR/CCTM_BSOILOUT_${CTM_APPL}.nc\" #> Soil Emissions\n setenv MEGAN_SOILOUT \"$OUTDIR/CCTM_MSOILOUT_${CTM_APPL}.nc\" #> Soil Emissions\n setenv BDSNPOUT \"$OUTDIR/CCTM_BDSNPOUT_${CTM_APPL}.nc\" #> Soil Emissions\n setenv CTM_WET_DEP_1 \"$OUTDIR/CCTM_WETDEP1_${CTM_APPL}.nc -v\" #> Wet Dep From All Clouds\n setenv CTM_WET_DEP_2 \"$OUTDIR/CCTM_WETDEP2_${CTM_APPL}.nc -v\" #> Wet Dep From SubGrid Clouds\n setenv CTM_ELMO_1 \"$OUTDIR/CCTM_ELMO_${CTM_APPL}.nc -v\" #> On-Hour Particle Diagnostics\n setenv CTM_AELMO_1 \"$OUTDIR/CCTM_AELMO_${CTM_APPL}.nc -v\" #> Hourly Avg. Particle Diagnostics\n setenv CTM_RJ_1 \"$OUTDIR/CCTM_PHOTDIAG1_${CTM_APPL}.nc -v\" #> 2D Surface Summary from Inline Photolysis\n setenv CTM_RJ_2 \"$OUTDIR/CCTM_PHOTDIAG2_${CTM_APPL}.nc -v\" #> 3D Photolysis Rates \n setenv CTM_RJ_3 \"$OUTDIR/CCTM_PHOTDIAG3_${CTM_APPL}.nc -v\" #> 3D Optical and Radiative Results from Photolysis\n setenv CTM_SSEMIS_1 \"$OUTDIR/CCTM_SSEMIS_${CTM_APPL}.nc -v\" #> Sea Spray Emissions\n setenv CTM_DUST_EMIS_1 \"$OUTDIR/CCTM_DUSTEMIS_${CTM_APPL}.nc -v\" #> Dust Emissions\n setenv CTM_BUDGET \"$OUTDIR/CCTM_BUDGET_${CTM_APPL}.txt -v\" #> Budget [Default Off]\n setenv CTM_IPR_1 \"$OUTDIR/CCTM_PA_1_${CTM_APPL}.nc -v\" #> Process Analysis\n setenv CTM_IPR_2 \"$OUTDIR/CCTM_PA_2_${CTM_APPL}.nc -v\" #> Process Analysis\n setenv CTM_IPR_3 \"$OUTDIR/CCTM_PA_3_${CTM_APPL}.nc -v\" #> Process Analysis\n setenv CTM_IRR_1 \"$OUTDIR/CCTM_IRR_1_${CTM_APPL}.nc -v\" #> Chem Process Analysis\n setenv CTM_IRR_2 \"$OUTDIR/CCTM_IRR_2_${CTM_APPL}.nc -v\" #> Chem Process Analysis\n setenv CTM_IRR_3 \"$OUTDIR/CCTM_IRR_3_${CTM_APPL}.nc -v\" #> Chem Process Analysis\n setenv CTM_DRY_DEP_MOS \"$OUTDIR/CCTM_DDMOS_${CTM_APPL}.nc -v\" #> Dry Dep\n setenv CTM_DEPV_MOS \"$OUTDIR/CCTM_DEPVMOS_${CTM_APPL}.nc -v\" #> Dry Dep Velocity\n setenv CTM_VDIFF_DIAG \"$OUTDIR/CCTM_VDIFF_DIAG_${CTM_APPL}.nc -v\" #> Vertical Dispersion Diagnostic\n setenv CTM_VSED_DIAG \"$OUTDIR/CCTM_VSED_DIAG_${CTM_APPL}.nc -v\" #> Particle Grav. Settling Velocity\n setenv CTM_LTNGDIAG_1 \"$OUTDIR/CCTM_LTNGHRLY_${CTM_APPL}.nc -v\" #> Hourly Avg Lightning NO\n setenv CTM_LTNGDIAG_2 \"$OUTDIR/CCTM_LTNGCOL_${CTM_APPL}.nc -v\" #> Column Total Lightning NO\n setenv CTM_VEXT_1 \"$OUTDIR/CCTM_VEXT_${CTM_APPL}.nc -v\" #> On-Hour 3D Concs at select sites\n\n #> set floor file (neg concs)\n setenv FLOOR_FILE ${OUTDIR}/FLOOR_${CTM_APPL}.txt\n\n #> look for existing log files and output files\n ( ls CTM_LOG_???.${CTM_APPL} > buff.txt ) >& /dev/null\n ( ls ${LOGDIR}/CTM_LOG_???.${CTM_APPL} >> buff.txt ) >& /dev/null\n set log_test = `cat buff.txt`; rm -f buff.txt\n\n set OUT_FILES = (${FLOOR_FILE} ${S_CGRID} ${CTM_CONC_1} ${A_CONC_1} ${MEDIA_CONC} \\\n ${CTM_DRY_DEP_1} $CTM_DEPV_DIAG $B3GTS_S $MEGAN_SOILOUT $BEIS_SOILOUT $BDSNPOUT \\\n $CTM_WET_DEP_1 $CTM_WET_DEP_2 $CTM_ELMO_1 $CTM_AELMO_1 \\\n $CTM_RJ_1 $CTM_RJ_2 $CTM_RJ_3 $CTM_SSEMIS_1 $CTM_DUST_EMIS_1 $CTM_IPR_1 $CTM_IPR_2 \\\n $CTM_IPR_3 $CTM_BUDGET $CTM_IRR_1 $CTM_IRR_2 $CTM_IRR_3 $CTM_DRY_DEP_MOS \\\n $CTM_DEPV_MOS $CTM_VDIFF_DIAG $CTM_VSED_DIAG $CTM_LTNGDIAG_1 $CTM_LTNGDIAG_2 $CTM_VEXT_1 )\n if ( $?CTM_ISAM ) then\n if ( $CTM_ISAM == 'Y' || $CTM_ISAM == 'T' ) then\n set OUT_FILES = (${OUT_FILES} ${SA_ACONC_1} ${SA_CONC_1} ${SA_DD_1} ${SA_WD_1} \\\n ${SA_CGRID_1} )\n endif\n endif\n if ( $?CTM_DDM3D ) then\n if ( $CTM_DDM3D == 'Y' || $CTM_DDM3D == 'T' ) then\n set OUT_FILES = (${OUT_FILES} ${CTM_SENS_1} ${A_SENS_1} ${CTM_SWETDEP_1} ${CTM_SDRYDEP_1} )\n endif\n endif\n set OUT_FILES = `echo $OUT_FILES | sed \"s; -v;;g\" | sed \"s;MPI:;;g\" `\n ( ls $OUT_FILES > buff.txt ) >& /dev/null\n set out_test = `cat buff.txt`; rm -f buff.txt\n \n #> delete previous output if requested\n if ( $CLOBBER_DATA == true || $CLOBBER_DATA == TRUE ) then\n echo \n echo \"Existing Logs and Output Files for Day ${TODAYG} Will Be Deleted\"\n\n #> remove previous log files\n foreach file ( ${log_test} )\n #echo \"Deleting log file: $file\"\n /bin/rm -f $file \n end\n \n #> remove previous output files\n foreach file ( ${out_test} )\n #echo \"Deleting output file: $file\"\n /bin/rm -f $file \n end\n /bin/rm -f ${OUTDIR}/CCTM_DESID*${CTM_APPL}.nc\n\n else\n #> error if previous log files exist\n if ( \"$log_test\" != \"\" ) then\n echo \"*** Logs exist - run ABORTED ***\"\n echo \"*** To overide, set CLOBBER_DATA = TRUE in run_cctm.csh ***\"\n echo \"*** and these files will be automatically deleted. ***\"\n exit 1\n endif\n \n #> error if previous output files exist\n if ( \"$out_test\" != \"\" ) then\n echo \"*** Output Files Exist - run will be ABORTED ***\"\n foreach file ( $out_test )\n echo \" cannot delete $file\"\n end\n echo \"*** To overide, set CLOBBER_DATA = TRUE in run_cctm.csh ***\"\n echo \"*** and these files will be automatically deleted. ***\"\n exit 1\n endif\n endif\n\n #> for the run control ...\n setenv CTM_STDATE $YYYYJJJ\n setenv CTM_STTIME $STTIME\n setenv CTM_RUNLEN $NSTEPS\n setenv CTM_TSTEP $TSTEP\n setenv INIT_CONC_1 $ICpath/$ICFILE\n setenv BNDY_CONC_1 $BCpath/$BCFILE\n setenv OMI $OMIpath/$OMIfile\n setenv MIE_TABLE $OUTDIR/mie_table_coeffs_${compilerString}.txt\n setenv OPTICS_DATA $OMIpath/$OPTfile\n #setenv XJ_DATA $JVALpath/$JVALfile\n \n #> species defn & photolysis\n setenv gc_matrix_nml ${NMLpath}/GC_$MECH.nml\n setenv ae_matrix_nml ${NMLpath}/AE_$MECH.nml\n setenv nr_matrix_nml ${NMLpath}/NR_$MECH.nml\n setenv tr_matrix_nml ${NMLpath}/Species_Table_TR_0.nml\n \n #> check for photolysis input data\n setenv CSQY_DATA ${NMLpath}/CSQY_DATA_$MECH\n\n if (! (-e $CSQY_DATA ) ) then\n echo \" $CSQY_DATA not found \"\n exit 1\n endif\n if (! (-e $OPTICS_DATA ) ) then\n echo \" $OPTICS_DATA not found \"\n exit 1\n endif\n\n# ===================================================================\n#> Execution Portion\n# ===================================================================\n\n #> Print attributes of the executable\n if ( $CTM_DIAG_LVL != 0 ) then\n ls -l $BLD/$EXEC\n size $BLD/$EXEC\n unlimit\n limit\n endif\n\n #> Print Startup Dialogue Information to Standard Out\n echo \n echo \"CMAQ Processing of Day $YYYYMMDD Began at `date`\"\n echo \n\n #> Executable call for single PE, uncomment to invoke\n #( /usr/bin/time -p $BLD/$EXEC ) |& tee buff_${EXECUTION_ID}.txt\n\n #> Executable call for multi PE, configure for your system \n # set MPI = /usr/local/intel/impi/3.2.2.006/bin64\n # set MPIRUN = $MPI/mpirun\n ( /usr/bin/time -p mpirun -np $NPROCS $BLD/$EXEC ) |& tee buff_${EXECUTION_ID}.txt\n \n #> Harvest Timing Output so that it may be reported below\n set rtarray = \"${rtarray} `tail -3 buff_${EXECUTION_ID}.txt | grep -Eo '[+-]?[0-9]+([.][0-9]+)?' | head -1` \"\n rm -rf buff_${EXECUTION_ID}.txt\n\n #> Abort script if abnormal termination\n if ( ! -e $OUTDIR/CCTM_CGRID_${CTM_APPL}.nc ) then\n echo \"\"\n echo \"**************************************************************\"\n echo \"** Runscript Detected an Error: CGRID file was not written. **\"\n echo \"** This indicates that CMAQ was interrupted or an issue **\"\n echo \"** exists with writing output. The runscript will now **\"\n echo \"** abort rather than proceeding to subsequent days. **\"\n echo \"**************************************************************\"\n break\n endif\n\n #> Print Concluding Text\n echo \n echo \"CMAQ Processing of Day $YYYYMMDD Finished at `date`\"\n echo\n echo \"\\\\\\\\\\=====\\\\\\\\\\=====\\\\\\\\\\=====\\\\\\\\\\=====/////=====/////=====/////=====/////\"\n echo\n\n# ===================================================================\n#> Finalize Run for This Day and Loop to Next Day\n# ===================================================================\n\n #> Save Log Files and Move on to Next Simulation Day\n mv CTM_LOG_???.${CTM_APPL} $LOGDIR\n if ( $CTM_DIAG_LVL != 0 ) then\n mv CTM_DIAG_???.${CTM_APPL} $LOGDIR\n endif\n\n #> The next simulation day will, by definition, be a restart\n setenv NEW_START false\n\n #> Increment both Gregorian and Julian Days\n set TODAYG = `date -ud \"${TODAYG}+1days\" +%Y-%m-%d` #> Add a day for tomorrow\n set TODAYJ = `date -ud \"${TODAYG}\" +%Y%j` #> Convert YYYY-MM-DD to YYYYJJJ\n\nend #Loop to the next Simulation Day\n\n# ===================================================================\n#> Generate Timing Report\n# ===================================================================\nset RTMTOT = 0\nforeach it ( `seq ${NDAYS}` )\n set rt = `echo ${rtarray} | cut -d' ' -f${it}`\n set RTMTOT = `echo \"${RTMTOT} + ${rt}\" | bc -l`\nend\n\nset RTMAVG = `echo \"scale=2; ${RTMTOT} / ${NDAYS}\" | bc -l`\nset RTMTOT = `echo \"scale=2; ${RTMTOT} / 1\" | bc -l`\n\necho\necho \"==================================\"\necho \" ***** CMAQ TIMING REPORT *****\"\necho \"==================================\"\necho \"Start Day: ${START_DATE}\"\necho \"End Day: ${END_DATE}\"\necho \"Number of Simulation Days: ${NDAYS}\"\necho \"Domain Name: ${GRID_NAME}\"\necho \"Number of Grid Cells: ${NCELLS} (ROW x COL x LAY)\"\necho \"Number of Layers: ${NZ}\"\necho \"Number of Processes: ${NPROCS}\"\necho \" All times are in seconds.\"\necho\necho \"Num Day Wall Time\"\nset d = 0\nset day = ${START_DATE}\nforeach it ( `seq ${NDAYS}` )\n # Set the right day and format it\n set d = `echo \"${d} + 1\" | bc -l`\n set n = `printf \"%02d\" ${d}`\n\n # Choose the correct time variables\n set rt = `echo ${rtarray} | cut -d' ' -f${it}`\n\n # Write out row of timing data\n echo \"${n} ${day} ${rt}\"\n\n # Increment day for next loop\n set day = `date -ud \"${day}+1days\" +%Y-%m-%d`\nend\necho \" Total Time = ${RTMTOT}\"\necho \" Avg. Time = ${RTMAVG}\"\n\nexit\n" }, { "path": "CCTM/scripts/run_cctm_Bench_2018_12NE3_cb6r5_m3dry_ddm.csh", "content": "#!/bin/csh -f\n\n# ===================== CCTMv5.5.X Run Script ========================= \n# Usage: run.cctm >&! cctm_Bench.log & \n#\n# To report problems or request help with this script/program: \n# http://www.epa.gov/cmaq (EPA CMAQ Website)\n# http://www.cmascenter.org (CMAS Website)\n# =================================================================== \n\n# ===================================================================\n#> Runtime Environment Options\n# ===================================================================\n\necho 'Start Model Run At ' `date`\n\n#> Toggle Diagnostic Mode which will print verbose information to \n#> standard output\n setenv CTM_DIAG_LVL 0\n\n#> Choose compiler and set up CMAQ environment with correct \n#> libraries using config.cmaq. Options: intel | gcc | pgi\n if ( ! $?compiler ) then\n setenv compiler intel\n endif\n if ( ! $?compilerVrsn ) then\n setenv compilerVrsn Empty\n endif\n\n#> Source the config.cmaq file to set the build environment\n cd ../..\n source ./config_cmaq.csh $compiler $compilerVrsn\n cd CCTM/scripts\n\n#> Set General Parameters for Configuring the Simulation\n set VRSN = v55_DDM3D #> Code Version\n set PROC = mpi #> serial or mpi\n set MECH = cb6r5_ae7_aq #> Mechanism ID, depends on the bldit_cctm.csh settings\n set DEP = m3dry #> m3dry or stage, depending on bldit_cctm.csh settings \n set APPL = Bench_2018_12NE3_${MECH}_${DEP} #> Application Name (e.g. Gridname)\n \n#> Define RUNID as any combination of parameters above or others. By default,\n#> this information will be collected into this one string, $RUNID, for easy\n#> referencing in output binaries and log files as well as in other scripts.\n setenv RUNID ${VRSN}_${compilerString}_${APPL}\n\n#> Set the build directory (this is where the CMAQ executable\n#> is located by default).\n set BLD = ${CMAQ_HOME}/CCTM/scripts/BLD_CCTM_${VRSN}_${compilerString}_${MECH}_${DEP}\n set EXEC = CCTM_${VRSN}.exe \n\n#> Output Each line of Runscript to Log File\n if ( $CTM_DIAG_LVL != 0 ) set echo \n\n#> Set Working, Input, and Output Directories\n setenv WORKDIR ${CMAQ_HOME}/CCTM/scripts #> Working Directory. Where the runscript is.\n setenv OUTDIR ${CMAQ_DATA}/output_CCTM_${RUNID} #> Output Directory\n setenv INPDIR ${CMAQ_DATA}/CMAQv5.4_2018_12NE3_Benchmark_2Day_Input/2018_12NE3 #> Input Directory\n setenv LOGDIR ${OUTDIR}/LOGS #> Log Directory Location\n setenv NMLpath ${BLD} #> Location of Namelists. Common places are: \n #> ${WORKDIR} | ${CCTM_SRC}/MECHS/${MECH} | ${BLD}\n\n echo \"\"\n echo \"Working Directory is $WORKDIR\"\n echo \"Build Directory is $BLD\"\n echo \"Output Directory is $OUTDIR\"\n echo \"Log Directory is $LOGDIR\"\n echo \"Executable Name is $EXEC\"\n\n# =====================================================================\n#> CCTM Configuration Options\n# =====================================================================\n\n#> Set Start and End Days for looping\n setenv NEW_START TRUE #> Set to FALSE for model restart\n set START_DATE = \"2018-07-01\" #> beginning date (July 1, 2016)\n set END_DATE = \"2018-07-02\" #> ending date (July 1, 2016)\n\n#> Set Timestepping Parameters\nset STTIME = 000000 #> beginning GMT time (HHMMSS)\nset NSTEPS = 240000 #> time duration (HHMMSS) for this run\nset TSTEP = 010000 #> output time step interval (HHMMSS)\n\n#> Horizontal domain decomposition\nif ( $PROC == serial ) then\n setenv NPCOL_NPROW \"1 1\"; set NPROCS = 1 # single processor setting\nelse\n @ NPCOL = 8; @ NPROW = 4\n @ NPROCS = $NPCOL * $NPROW\n setenv NPCOL_NPROW \"$NPCOL $NPROW\"; \nendif\n\n#> Define Execution ID: e.g. [CMAQ-Version-Info]_[User]_[Date]_[Time]\nif ( ! -e ${BLD}/CCTM_${VRSN}.cfg ) then\n set SHAID = \"\"\nelse\n set SHAID = `grep \"sha_ID\" ${BLD}/CCTM_${VRSN}.cfg | cut -c 13-22`\n if ( $SHAID == not_a_repo ) then\n set SHAID = \"\"\n else\n set SHAID = \"_sha=\"$SHAID\n endif\nendif\nsetenv EXECUTION_ID \"CMAQ_CCTM${VRSN}${SHAID}_`id -u -n`_`date -u +%Y%m%d_%H%M%S_%N`\" #> Inform IO/API of the Execution ID\necho \"\"\necho \"---CMAQ EXECUTION ID: $EXECUTION_ID ---\"\n\n#> Keep or Delete Existing Output Files\nset CLOBBER_DATA = TRUE \n\n#> Logfile Options\n#> Master Log File Name; uncomment to write standard output to a log, otherwise write to screen\n#setenv LOGFILE $CMAQ_HOME/$RUNID.log \nif (! -e $LOGDIR ) then\n mkdir -p $LOGDIR\nendif\nsetenv PRINT_PROC_TIME Y #> Print timing for all science subprocesses to Logfile\n #> [ default: TRUE or Y ]\nsetenv STDOUT T #> Override I/O-API trying to write information to both the processor \n #> logs and STDOUT [ options: T | F ]\n\nsetenv GRID_NAME 2018_12NE3 #> check GRIDDESC file for GRID_NAME options\nsetenv GRIDDESC $INPDIR/GRIDDESC #> grid description file\n\n#> Retrieve the number of columns, rows, and layers in this simulation\nset NZ = 35\nset NX = `grep -A 1 ${GRID_NAME} ${GRIDDESC} | tail -1 | sed 's/ */ /g' | cut -d' ' -f6`\nset NY = `grep -A 1 ${GRID_NAME} ${GRIDDESC} | tail -1 | sed 's/ */ /g' | cut -d' ' -f7`\nset NCELLS = `echo \"${NX} * ${NY} * ${NZ}\" | bc -l`\n\n#> Output Species and Layer Options\n #> CONC file species; comment or set to \"ALL\" to write all species to CONC\n # setenv CONC_SPCS \"O3 NO ANO3I ANO3J NO2 FORM ISOP NH3 ANH4I ANH4J ASO4I ASO4J\" \n #setenv CONC_BLEV_ELEV \" 1 1\" #> CONC file layer range; comment to write all layers to CONC\n\n #> ACONC file species; comment or set to \"ALL\" to write all species to ACONC\n #setenv AVG_CONC_SPCS \"O3 NO CO NO2 ASO4I ASO4J NH3\" \n setenv AVG_CONC_SPCS \"ALL\" \n setenv ACONC_BLEV_ELEV \" 1 1\" #> ACONC file layer range; comment to write all layers to ACONC\n setenv AVG_FILE_ENDTIME N #> override default beginning ACONC timestamp [ default: N ]\n\n#> Synchronization Time Step and Tolerance Options\nsetenv CTM_MAXSYNC 300 #> max sync time step (sec) [ default: 720 ]\nsetenv CTM_MINSYNC 60 #> min sync time step (sec) [ default: 60 ]\nsetenv SIGMA_SYNC_TOP 0.7 #> top sigma level thru which sync step determined [ default: 0.7 ] \n#setenv ADV_HDIV_LIM 0.95 #> maximum horiz. div. limit for adv step adjust [ default: 0.9 ]\nsetenv CTM_ADV_CFL 0.95 #> max CFL [ default: 0.75]\n#setenv RB_ATOL 1.0E-09 #> global ROS3 solver absolute tolerance [ default: 1.0E-07 ] \n\n#> Science Options\nsetenv CTM_OCEAN_CHEM Y #> Flag for ocean halogen chemistry, sea spray aerosol emissions,\n #> and enhanced ozone deposition over ocean waters [ default: Y ]\nsetenv CTM_WB_DUST N #> use inline windblown dust emissions (only for use with PX) [ default: N ]\nsetenv CTM_LTNG_NO N #> turn on lightning NOx [ default: N ]\nsetenv KZMIN Y #> use Min Kz option in edyintb [ default: Y ], \n #> otherwise revert to Kz0UT\nsetenv PX_VERSION Y #> WRF PX LSM\nsetenv CLM_VERSION N #> WRF CLM LSM\nsetenv NOAH_VERSION N #> WRF NOAH LSM\nsetenv CTM_ABFLUX Y #> ammonia bi-directional flux for in-line deposition \n #> velocities [ default: N ]\nsetenv CTM_BIDI_FERT_NH3 T #> subtract fertilizer NH3 from emissions because it will be handled\n #> by the BiDi calculation [ default: Y ]\nsetenv CTM_HGBIDI N #> mercury bi-directional flux for in-line deposition \n #> velocities [ default: N ]\nsetenv CTM_SFC_HONO Y #> surface HONO interaction [ default: Y ]\n #> please see user guide (6.10.4 Nitrous Acid (HONO)) \n #> for dependency on percent urban fraction dataset\nsetenv CTM_GRAV_SETL Y #> vdiff aerosol gravitational sedimentation [ default: Y ]\nsetenv CTM_PVO3 N #> consider potential vorticity module for O3 transport from the stratosphere \n #> [default: N]\n\nsetenv CTM_BIOGEMIS_BE Y #> calculate in-line biogenic emissions with BEIS [ default: N ]\nsetenv CTM_BIOGEMIS_MG N #> turns on MEGAN biogenic emission [ default: N ]\nsetenv BDSNP_MEGAN N #> turns on BDSNP soil NO emissions [ default: N ]\n\nsetenv AEROSOL_OPTICS 3 #> sets method for determining aerosol optics affecting photolysis\n #> frequencies ( 3 is the default value )\n #> VALUES 1 thru 3 determined Uniformly Volume Mixed spherical\n #> (1-Tabular Mie; 2-Mie Calculation; 3-Case Approx to Mie Theory)\n #> VALUES 4 thru 6 attempts to use core-shell mixing model when the\n #> aerosol mode has signficant black carbon core otherwise use Volume Mixed\n #> model where optics determined by\n #> (4-Tabular Mie; 5-Mie Calculation; 6-Case Approx to Mie Theory)\n\n#> Surface Tiled Aerosol and Gaseous Exchange Options\n#> Only active if DepMod=stage at compile time\nsetenv CTM_MOSAIC N #> Output landuse specific deposition velocities [ default: N ]\nsetenv CTM_STAGE_P22 N #> Pleim et al. 2022 Aerosol deposition model [default: N]\nsetenv CTM_STAGE_E20 Y #> Emerson et al. 2020 Aerosol deposition model [default: Y]\nsetenv CTM_STAGE_S22 N #> Shu et al. 2022 (CMAQ v5.3) Aerosol deposition model [default: N]\n\nsetenv IC_AERO_M2WET F #> Specify whether or not initial condition aerosol size distribution \n #> is wet or dry [ default: F = dry ]\nsetenv BC_AERO_M2WET F #> Specify whether or not boundary condition aerosol size distribution \n #> is wet or dry [ default: F = dry ]\nsetenv IC_AERO_M2USE F #> Specify whether or not to use aerosol surface area from initial \n #> conditions [ default: T = use aerosol surface area ]\nsetenv BC_AERO_M2USE F #> Specify whether or not to use aerosol surface area from boundary \n #> conditions [ default: T = use aerosol surface area ]\n\n\n#> Vertical Extraction Options\nsetenv VERTEXT N\nsetenv VERTEXT_COORD_PATH ${WORKDIR}/lonlat.csv\n\n#> I/O Controls\nsetenv IOAPI_LOG_WRITE F #> turn on excess WRITE3 logging [ options: T | F ]\nsetenv FL_ERR_STOP N #> stop on inconsistent input files\nsetenv PROMPTFLAG F #> turn on I/O-API PROMPT*FILE interactive mode [ options: T | F ]\nsetenv IOAPI_OFFSET_64 YES #> support large timestep records (>2GB/timestep record) [ options: YES | NO ]\nsetenv IOAPI_CHECK_HEADERS N #> check file headers [ options: Y | N ]\nsetenv CTM_EMISCHK N #> Abort CMAQ if missing surrogates from emissions Input files\n\n#> Diagnostic Output Flags\nsetenv CTM_CKSUM Y #> checksum report [ default: Y ]\nsetenv CLD_DIAG N #> cloud diagnostic file [ default: N ]\n\nsetenv CTM_PHOTDIAG N #> photolysis diagnostic file [ default: N ]\nsetenv NLAYS_PHOTDIAG \"1\" #> Number of layers for PHOTDIAG2 and PHOTDIAG3 from \n #> Layer 1 to NLAYS_PHOTDIAG [ default: all layers ] \n#setenv NWAVE_PHOTDIAG \"294 303 310 316 333 381 607\" #> Wavelengths written for variables\n #> in PHOTDIAG2 and PHOTDIAG3 \n #> [ default: all wavelengths ]\n\nsetenv CTM_SSEMDIAG N #> sea-spray emissions diagnostic file [ default: N ]\nsetenv CTM_DUSTEM_DIAG N #> windblown dust emissions diagnostic file [ default: N ]; \n #> Ignore if CTM_WB_DUST = N\nsetenv CTM_DEPV_FILE N #> deposition velocities diagnostic file [ default: N ]\nsetenv VDIFF_DIAG_FILE N #> vdiff & possibly aero grav. sedimentation diagnostic file [ default: N ]\nsetenv LTNGDIAG N #> lightning diagnostic file [ default: N ]\nsetenv B3GTS_DIAG N #> BEIS mass emissions diagnostic file [ default: N ]\nsetenv CTM_WVEL Y #> save derived vertical velocity component to conc \n #> file [ default: Y ]\n\n# =====================================================================\n#> Input Directories and Filenames\n# =====================================================================\n\nset ICpath = $INPDIR/icbc #> initial conditions input directory \nset BCpath = $INPDIR/icbc #> boundary conditions input directory\nset EMISpath = $INPDIR/emis #> gridded emissions input directory\nset IN_PTpath = $INPDIR/emis #> point source emissions input directory\nset IN_LTpath = $INPDIR/lightning #> lightning NOx input directory\nset METpath = $INPDIR/met/mcipv5.4 #> meteorology input directory \n#set JVALpath = $INPDIR/jproc #> offline photolysis rate table directory\nset OMIpath = $BLD #> ozone column data for the photolysis model\nset EPICpath = $INPDIR/epic #> EPIC putput for bidirectional NH3\nset SZpath = $INPDIR/surface #> surf zone file for in-line seaspray emissions\n\n# =====================================================================\n#> Begin Loop Through Simulation Days\n# =====================================================================\nset rtarray = \"\"\n\nset TODAYG = ${START_DATE}\nset TODAYJ = `date -ud \"${START_DATE}\" +%Y%j` #> Convert YYYY-MM-DD to YYYYJJJ\nset START_DAY = ${TODAYJ} \nset STOP_DAY = `date -ud \"${END_DATE}\" +%Y%j` #> Convert YYYY-MM-DD to YYYYJJJ\nset NDAYS = 0\n\nwhile ($TODAYJ <= $STOP_DAY ) #>Compare dates in terms of YYYYJJJ\n \n set NDAYS = `echo \"${NDAYS} + 1\" | bc -l`\n\n #> Retrieve Calendar day Information\n set YYYYMMDD = `date -ud \"${TODAYG}\" +%Y%m%d` #> Convert YYYY-MM-DD to YYYYMMDD\n set YYYYMM = `date -ud \"${TODAYG}\" +%Y%m` #> Convert YYYY-MM-DD to YYYYMM\n set YYMMDD = `date -ud \"${TODAYG}\" +%y%m%d` #> Convert YYYY-MM-DD to YYMMDD\n set MM = `date -ud \"${TODAYG}\" +%m` #> Convert YYYY-MM-DD to MM \n set YYYYJJJ = $TODAYJ\n\n #> Calculate Yesterday's Date\n set YESTERDAY = `date -ud \"${TODAYG}-1days\" +%Y%m%d` #> Convert YYYY-MM-DD to YYYYJJJ\n\n# =====================================================================\n#> Set Output String and Propagate Model Configuration Documentation\n# =====================================================================\n echo \"\"\n echo \"Set up input and output files for Day ${TODAYG}.\"\n\n #> set output file name extensions\n setenv CTM_APPL ${RUNID}_${YYYYMMDD} \n \n #> Copy Model Configuration To Output Folder\n if ( ! -d \"$OUTDIR\" ) mkdir -p $OUTDIR\n cp $BLD/CCTM_${VRSN}.cfg $OUTDIR/CCTM_${CTM_APPL}.cfg\n\n# =====================================================================\n#> Input Files (Some are Day-Dependent)\n# =====================================================================\n\n #> Initial conditions\n if ($NEW_START == true || $NEW_START == TRUE ) then\n setenv ICFILE CCTM_ICON_v54_${MECH}_12NE3_20180701.nc\n setenv INIT_MEDC_1 notused\n else\n set ICpath = $OUTDIR\n setenv ICFILE CCTM_CGRID_${RUNID}_${YESTERDAY}.nc\n setenv INIT_MEDC_1 $ICpath/CCTM_MEDIA_CONC_${RUNID}_${YESTERDAY}.nc\n endif\n\n #> Boundary conditions\n set BCFILE = CCTM_BCON_v54_${MECH}_12NE3_${YYYYMMDD}.nc\n\n #> Off-line photolysis rates \n #set JVALfile = JTABLE_${YYYYJJJ}\n\n #> Ozone column data\n set OMIfile = OMI_1979_to_2019.dat\n\n #> Optics file\n set OPTfile = PHOT_OPTICS.dat\n\n #> MCIP meteorology files \n setenv GRID_BDY_2D $METpath/GRIDBDY2D_12NE3_${YYYYMMDD}.nc # GRID files are static, not day-specific\n setenv GRID_CRO_2D $METpath/GRIDCRO2D_12NE3_${YYYYMMDD}.nc\n setenv GRID_CRO_3D $METpath/GRIDCRO3D_12NE3_${YYYYMMDD}.nc\n setenv GRID_DOT_2D $METpath/GRIDDOT2D_12NE3_${YYYYMMDD}.nc\n setenv MET_CRO_2D $METpath/METCRO2D_12NE3_${YYYYMMDD}.nc\n setenv MET_CRO_3D $METpath/METCRO3D_12NE3_${YYYYMMDD}.nc\n setenv MET_DOT_3D $METpath/METDOT3D_12NE3_${YYYYMMDD}.nc\n setenv MET_BDY_3D $METpath/METBDY3D_12NE3_${YYYYMMDD}.nc\n setenv LUFRAC_CRO $METpath/LUFRAC_CRO_12NE3_${YYYYMMDD}.nc\n\n #> Control Files\n #>\n #> IMPORTANT NOTE\n #>\n #> The DESID control files defined below are an integral part of controlling the behavior of the model simulation.\n #> Among other things, they control the mapping of species in the emission files to chemical species in the model and\n #> several aspects related to the simulation of organic aerosols.\n #> Please carefully review the DESID control files to ensure that they are configured to be consistent with the assumptions\n #> made when creating the emission files defined below and the desired representation of organic aerosols.\n #> For further information, please see:\n #> + AERO7 Release Notes section on 'Required emission updates':\n #> https://github.com/USEPA/CMAQ/blob/master/DOCS/Release_Notes/aero7_overview.md\n #> + CMAQ User's Guide section 6.9.3 on 'Emission Compatability':\n #> https://github.com/USEPA/CMAQ/blob/master/DOCS/Users_Guide/CMAQ_UG_ch06_model_configuration_options.md#6.9.3_Emission_Compatability\n #> + Emission Control (DESID) Documentation in the CMAQ User's Guide:\n #> https://github.com/USEPA/CMAQ/blob/master/DOCS/Users_Guide/Appendix/CMAQ_UG_appendixB_emissions_control.md\n #>\n setenv DESID_CTRL_NML ${BLD}/CMAQ_Control_DESID.nml\n setenv DESID_CHEM_CTRL_NML ${BLD}/CMAQ_Control_DESID_${MECH}.nml\n\n #> The following namelist configures aggregated output (via the Explicit and Lumped\n #> Air Quality Model Output (ELMO) Module), domain-wide budget output, and chemical\n #> family output.\n setenv MISC_CTRL_NML ${BLD}/CMAQ_Control_Misc.nml\n\n #> The following namelist controls the mapping of meteorological land use types and the NH3 and Hg emission\n #> potentials\n setenv STAGECTRL_NML ${BLD}/CMAQ_Control_STAGE.nml\n \n #> Spatial Masks For Emissions Scaling\n #setenv CMAQ_MASKS $SZpath/OCEAN_${MM}_L3m_MC_CHL_chlor_a_12NE3.nc #> horizontal grid-dependent ocean file\n setenv CMAQ_MASKS $INPDIR/GRIDMASK_STATES_12NE3.nc\n\n #> Gridded Emissions Files \n setenv N_EMIS_GR 2\n set EMISfile = emis_mole_all_${YYYYMMDD}_12NE3_nobeis_norwc_2018gc_cb6_18j.ncf\n setenv GR_EMIS_001 ${EMISpath}/merged_nobeis_norwc/${EMISfile}\n setenv GR_EMIS_LAB_001 GRIDDED_EMIS\n setenv GR_EM_SYM_DATE_001 F # To change default behaviour please see Users Guide for EMIS_SYM_DATE\n\n set EMISfile = emis_mole_rwc_${YYYYMMDD}_12NE3_cmaq_cb6ae7_2018gc_cb6_18j.ncf\n setenv GR_EMIS_002 ${EMISpath}/rwc/${EMISfile}\n setenv GR_EMIS_LAB_002 GR_RES_FIRES\n setenv GR_EM_SYM_DATE_002 F # To change default behaviour please see Users Guide for EMIS_SYM_DATE\n\n #> In-line point emissions configuration\n setenv N_EMIS_PT 10 #> Number of elevated source groups\n\n set STKCASEG = 12US1_2018gc_cb6_18j # Stack Group Version Label\n set STKCASEE = 12US1_cmaq_cb6ae7_2018gc_cb6_18j # Stack Emission Version Label\n\n # Time-Independent Stack Parameters for Inline Point Sources\n setenv STK_GRPS_001 $IN_PTpath/ptnonipm/stack_groups_ptnonipm_${STKCASEG}.ncf\n setenv STK_GRPS_002 $IN_PTpath/ptegu/stack_groups_ptegu_${STKCASEG}.ncf\n setenv STK_GRPS_003 $IN_PTpath/othpt/stack_groups_othpt_${STKCASEG}.ncf\n setenv STK_GRPS_004 $IN_PTpath/ptagfire/stack_groups_ptagfire_${YYYYMMDD}_${STKCASEG}.ncf\n setenv STK_GRPS_005 $IN_PTpath/ptfire-rx/stack_groups_ptfire-rx_${YYYYMMDD}_${STKCASEG}.ncf\n setenv STK_GRPS_006 $IN_PTpath/ptfire-wild/stack_groups_ptfire-wild_${YYYYMMDD}_${STKCASEG}.ncf\n setenv STK_GRPS_007 $IN_PTpath/ptfire_othna/stack_groups_ptfire_othna_${YYYYMMDD}_${STKCASEG}.ncf\n setenv STK_GRPS_008 $IN_PTpath/pt_oilgas/stack_groups_pt_oilgas_${STKCASEG}.ncf\n setenv STK_GRPS_009 $IN_PTpath/cmv_c3_12/stack_groups_cmv_c3_12_${STKCASEG}.ncf\n setenv STK_GRPS_010 $IN_PTpath/cmv_c1c2_12/stack_groups_cmv_c1c2_12_${STKCASEG}.ncf\n\n # Emission Rates for Inline Point Sources\n setenv STK_EMIS_001 $IN_PTpath/ptnonipm/inln_mole_ptnonipm_${YYYYMMDD}_${STKCASEE}.ncf\n setenv STK_EMIS_002 $IN_PTpath/ptegu/inln_mole_ptegu_${YYYYMMDD}_${STKCASEE}.ncf\n setenv STK_EMIS_003 $IN_PTpath/othpt/inln_mole_othpt_${YYYYMMDD}_${STKCASEE}.ncf\n setenv STK_EMIS_004 $IN_PTpath/ptagfire/inln_mole_ptagfire_${YYYYMMDD}_${STKCASEE}.ncf\n setenv STK_EMIS_005 $IN_PTpath/ptfire-rx/inln_mole_ptfire-rx_${YYYYMMDD}_${STKCASEE}.ncf\n setenv STK_EMIS_006 $IN_PTpath/ptfire-wild/inln_mole_ptfire-wild_${YYYYMMDD}_${STKCASEE}.ncf\n setenv STK_EMIS_007 $IN_PTpath/ptfire_othna/inln_mole_ptfire_othna_${YYYYMMDD}_${STKCASEE}.ncf\n setenv STK_EMIS_008 $IN_PTpath/pt_oilgas/inln_mole_pt_oilgas_${YYYYMMDD}_${STKCASEE}.ncf\n setenv STK_EMIS_009 $IN_PTpath/cmv_c3_12/inln_mole_cmv_c3_12_${YYYYMMDD}_${STKCASEE}.ncf\n setenv STK_EMIS_010 $IN_PTpath/cmv_c1c2_12/inln_mole_cmv_c1c2_12_${YYYYMMDD}_${STKCASEE}.ncf\n\n # Label Each Emissions Stream\n setenv STK_EMIS_LAB_001 PT_NONEGU\n setenv STK_EMIS_LAB_002 PT_EGU\n setenv STK_EMIS_LAB_003 PT_OTHER\n setenv STK_EMIS_LAB_004 PT_AGFIRES\n setenv STK_EMIS_LAB_005 PT_RXFIRES\n setenv STK_EMIS_LAB_006 PT_WILDFIRES\n setenv STK_EMIS_LAB_007 PT_OTHFIRES\n setenv STK_EMIS_LAB_008 PT_OILGAS\n setenv STK_EMIS_LAB_009 PT_CMV_C3\n setenv STK_EMIS_LAB_010 PT_CMV_C1C2\n\n # Allow CMAQ to Use Point Source files with dates that do not\n # match the internal model date\n # To change default behaviour please see Users Guide for EMIS_SYM_DATE\n setenv STK_EM_SYM_DATE_001 F\n setenv STK_EM_SYM_DATE_002 F\n setenv STK_EM_SYM_DATE_003 F\n setenv STK_EM_SYM_DATE_004 F\n setenv STK_EM_SYM_DATE_005 F\n setenv STK_EM_SYM_DATE_006 F\n setenv STK_EM_SYM_DATE_007 F\n setenv STK_EM_SYM_DATE_008 F\n\n #> Lightning NOx configuration\n if ( $CTM_LTNG_NO == 'Y' ) then\n setenv LTNGNO \"InLine\" #> set LTNGNO to \"Inline\" to activate in-line calculation\n\n #> In-line lightning NOx options\n setenv USE_NLDN Y #> use hourly NLDN strike file [ default: Y ]\n if ( $USE_NLDN == Y ) then\n setenv NLDN_STRIKES ${IN_LTpath}/NLDN_12km_60min_${YYYYMMDD}.ioapi\n endif\n setenv LTNGPARMS_FILE ${IN_LTpath}/LTNG_AllParms_12NE3.nc #> lightning parameter file\n endif\n\n #> In-line biogenic emissions configuration\n if ( $CTM_BIOGEMIS_BE == 'Y' ) then\n set IN_BEISpath = ${INPDIR}/surface\n setenv GSPRO $BLD/gspro_biogenics.txt\n setenv BEIS_NORM_EMIS $IN_BEISpath/beis4_beld6_norm_emis.12NE3.nc\n setenv BEIS_SOILINP $OUTDIR/CCTM_BSOILOUT_${RUNID}_${YESTERDAY}.nc\n #> Biogenic NO soil input file; ignore if NEW_START = TRUE\n endif\n if ( $CTM_BIOGEMIS_MG == 'Y' ) then\n setenv MEGAN_SOILINP $OUTDIR/CCTM_MSOILOUT_${RUNID}_${YESTERDAY}.nc\n #> Biogenic NO soil input file; ignore if INITIAL_RUN = Y\n #> ; ignore if IGNORE_SOILINP = Y\n setenv MEGAN_CTS $SZpath/megan3.2/CT3_CONUS.ncf\n setenv MEGAN_EFS $SZpath/megan3.2/EFMAPS_CONUS.ncf\n setenv MEGAN_LDF $SZpath/megan3.2/LDF_CONUS.ncf\n if ($BDSNP_MEGAN == 'Y') then\n setenv BDSNPINP $OUTDIR/CCTM_BDSNPOUT_${RUNID}_${YESTERDAY}.nc\n setenv BDSNP_FFILE $SZpath/megan3.2/FERT_tceq_12km.ncf\n setenv BDSNP_NFILE $SZpath/megan3.2/NDEP_tceq_12km.ncf\n setenv BDSNP_LFILE $SZpath/megan3.2/LANDTYPE_tceq_12km.ncf\n setenv BDSNP_AFILE $SZpath/megan3.2/ARID_tceq_12km.ncf\n setenv BDSNP_NAFILE $SZpath/megan3.2/NONARID_tceq_12km.ncf\n endif\n endif\n\n #> In-line sea spray emissions configuration\n setenv OCEAN_1 $SZpath/OCEAN_${MM}_L3m_MC_CHL_chlor_a_12NE3.nc #> horizontal grid-dependent ocean file\n\n #> Bidirectional ammonia configuration\n if ( $CTM_ABFLUX == 'Y' ) then\n setenv E2C_SOIL ${EPICpath}/2018r1_EPIC0509_12NE3_soil.nc\n setenv E2C_CHEM ${EPICpath}/2018r1_EPIC0509_12NE3_time${YYYYMMDD}.nc\n setenv E2C_CHEM_YEST ${EPICpath}/2018r1_EPIC0509_12NE3_time${YESTERDAY}.nc\n setenv E2C_LU ${EPICpath}/beld4_12NE3_2011.nc\n endif\n\n#> Inline Process Analysis \n setenv CTM_PROCAN N #> use process analysis [ default: N]\n if ( $?CTM_PROCAN ) then # $CTM_PROCAN is defined\n if ( $CTM_PROCAN == 'Y' || $CTM_PROCAN == 'T' ) then\n#> process analysis global column, row and layer ranges\n# setenv PA_BCOL_ECOL \"10 90\" # default: all columns\n# setenv PA_BROW_EROW \"10 80\" # default: all rows\n# setenv PA_BLEV_ELEV \"1 4\" # default: all levels\n setenv PACM_INFILE ${NMLpath}/pa_${MECH}.ctl\n setenv PACM_REPORT $OUTDIR/\"PA_REPORT\".${YYYYMMDD}\n endif\n endif\n\n#> Integrated Source Apportionment Method (ISAM) Options\n setenv CTM_ISAM N\n if ( $?CTM_ISAM ) then\n if ( $CTM_ISAM == 'Y' || $CTM_ISAM == 'T' ) then\n setenv SA_IOLIST ${WORKDIR}/isam_control.2018_12NE3.txt\n setenv ISAM_BLEV_ELEV \" 1 1\"\n setenv AISAM_BLEV_ELEV \" 1 1\"\n\n #> Set Up ISAM Initial Condition Flags\n if ($NEW_START == true || $NEW_START == TRUE ) then\n setenv ISAM_NEW_START Y\n setenv ISAM_PREVDAY\n else\n setenv ISAM_NEW_START N\n setenv ISAM_PREVDAY \"$OUTDIR/CCTM_SA_CGRID_${RUNID}_${YESTERDAY}.nc\"\n endif\n\n #> Set Up ISAM Output Filenames\n setenv SA_ACONC_1 \"$OUTDIR/CCTM_SA_ACONC_${CTM_APPL}.nc -v\"\n setenv SA_CONC_1 \"$OUTDIR/CCTM_SA_CONC_${CTM_APPL}.nc -v\"\n setenv SA_DD_1 \"$OUTDIR/CCTM_SA_DRYDEP_${CTM_APPL}.nc -v\"\n setenv SA_WD_1 \"$OUTDIR/CCTM_SA_WETDEP_${CTM_APPL}.nc -v\"\n setenv SA_CGRID_1 \"$OUTDIR/CCTM_SA_CGRID_${CTM_APPL}.nc -v\"\n\n #> Set optional ISAM regions files\n setenv ISAM_REGIONS $INPDIR/GRIDMASK_STATES_12NE3.nc\n\n #> Options used to favor tracked species in reaction for Ozone-NOx chemistry\n setenv ISAM_O3_WEIGHTS 5 # weights for tracked species Default is 5\n # OPTIONS\n # 1 does not weight any species\n # 2 weights NOx and subset of NOz species\n # 3 uses with from option 2 plus weight OVOC species, organic radicals and operators\n # 4 weight OVOC species, organic radicals and operators\n # 5 toggles between two weighting set based on VOC and NOx limited ozone production\n # Below options only used if ISAM_O3_WEIGHTS set to 5\n setenv ISAM_NOX_CASE 2 # weights for tracked species when ozone production is NOx limited. Default is 2\n setenv ISAM_VOC_CASE 4 # weights for tracked species when ozone production is VOC limited. Default is 4\n setenv VOC_NOX_TRANS 0.35 # value of Prod H2O2 over Prod HNO3 less than where\n # ISAM_VOC_CASE weights are used. Otherwise, ISAM_NOX_CASE\n # weights are used. Default is 0.35\n\n endif\n endif\n\n\n#> Sulfur Tracking Model (STM)\n setenv STM_SO4TRACK N #> sulfur tracking [ default: N ]\n if ( $?STM_SO4TRACK ) then\n if ( $STM_SO4TRACK == 'Y' || $STM_SO4TRACK == 'T' ) then\n\n #> option to normalize sulfate tracers [ default: Y ]\n setenv STM_ADJSO4 Y\n\n endif\n endif\n\n#> Decoupled Direct Method in 3D (DDM-3D) Options\n setenv CTM_DDM3D Y # Sets up requisite script settings for DDM-3D (default is N/F)\n # Additionally requires for CCTM to be compiled for DDM-3D simulations\n\n set NPMAX = 2 # Number of sensitivity parameters defined in SEN_INPUT\n setenv SEN_INPUT ${WORKDIR}/sensinput.2018_12NE3.dat\n\n setenv DDM3D_HIGH N # allow higher-order sensitivity parameters in SEN_INPUT [ T | Y | F | N ] (default is N/F)\n\n if ($NEW_START == true || $NEW_START == TRUE ) then\n setenv DDM3D_RST N # begins from sensitivities from a restart file [ T | Y | F | N ] (default is Y/T)\n set S_ICpath = # sensitivity fields are initialized to 0.0 on the first hour of the first day\n set S_ICfile =\n else\n setenv DDM3D_RST Y # begins from sensitivities from a restart file [ T | Y | F | N ] (default is Y/T) \n set S_ICpath = $OUTDIR\n set S_ICfile = CCTM_SENGRID_${RUNID}_${YESTERDAY}.nc\n endif\n\n setenv CTM_NPMAX $NPMAX\n setenv CTM_SENS_1 \"$OUTDIR/CCTM_SENGRID_${CTM_APPL}.nc -v\"\n setenv A_SENS_1 \"$OUTDIR/CCTM_ASENS_${CTM_APPL}.nc -v\"\n setenv CTM_SWETDEP_1 \"$OUTDIR/CCTM_SENWDEP_${CTM_APPL}.nc -v\"\n setenv CTM_SDRYDEP_1 \"$OUTDIR/CCTM_SENDDEP_${CTM_APPL}.nc -v\"\n setenv INIT_SENS_1 $S_ICpath/$S_ICfile\n \n \n# =====================================================================\n#> Output Files\n# =====================================================================\n\n #> set output file names\n setenv S_CGRID \"$OUTDIR/CCTM_CGRID_${CTM_APPL}.nc\" #> 3D Inst. Concentrations\n setenv CTM_CONC_1 \"$OUTDIR/CCTM_CONC_${CTM_APPL}.nc -v\" #> On-Hour Concentrations\n setenv A_CONC_1 \"$OUTDIR/CCTM_ACONC_${CTM_APPL}.nc -v\" #> Hourly Avg. Concentrations\n setenv MEDIA_CONC \"$OUTDIR/CCTM_MEDIA_CONC_${CTM_APPL}.nc -v\" #> NH3 Conc. in Media\n setenv CTM_DRY_DEP_1 \"$OUTDIR/CCTM_DRYDEP_${CTM_APPL}.nc -v\" #> Hourly Dry Deposition\n setenv CTM_DEPV_DIAG \"$OUTDIR/CCTM_DEPV_${CTM_APPL}.nc -v\" #> Dry Deposition Velocities\n setenv B3GTS_S \"$OUTDIR/CCTM_B3GTS_S_${CTM_APPL}.nc -v\" #> Biogenic Emissions\n setenv BEIS_SOILOUT \"$OUTDIR/CCTM_BSOILOUT_${CTM_APPL}.nc\" #> Soil Emissions\n setenv MEGAN_SOILOUT \"$OUTDIR/CCTM_MSOILOUT_${CTM_APPL}.nc\" #> Soil Emissions\n setenv BDSNPOUT \"$OUTDIR/CCTM_BDSNPOUT_${CTM_APPL}.nc\" #> Soil Emissions\n setenv CTM_WET_DEP_1 \"$OUTDIR/CCTM_WETDEP1_${CTM_APPL}.nc -v\" #> Wet Dep From All Clouds\n setenv CTM_WET_DEP_2 \"$OUTDIR/CCTM_WETDEP2_${CTM_APPL}.nc -v\" #> Wet Dep From SubGrid Clouds\n setenv CTM_ELMO_1 \"$OUTDIR/CCTM_ELMO_${CTM_APPL}.nc -v\" #> On-Hour Particle Diagnostics\n setenv CTM_AELMO_1 \"$OUTDIR/CCTM_AELMO_${CTM_APPL}.nc -v\" #> Hourly Avg. Particle Diagnostics\n setenv CTM_RJ_1 \"$OUTDIR/CCTM_PHOTDIAG1_${CTM_APPL}.nc -v\" #> 2D Surface Summary from Inline Photolysis\n setenv CTM_RJ_2 \"$OUTDIR/CCTM_PHOTDIAG2_${CTM_APPL}.nc -v\" #> 3D Photolysis Rates \n setenv CTM_RJ_3 \"$OUTDIR/CCTM_PHOTDIAG3_${CTM_APPL}.nc -v\" #> 3D Optical and Radiative Results from Photolysis\n setenv CTM_SSEMIS_1 \"$OUTDIR/CCTM_SSEMIS_${CTM_APPL}.nc -v\" #> Sea Spray Emissions\n setenv CTM_DUST_EMIS_1 \"$OUTDIR/CCTM_DUSTEMIS_${CTM_APPL}.nc -v\" #> Dust Emissions\n setenv CTM_BUDGET \"$OUTDIR/CCTM_BUDGET_${CTM_APPL}.txt -v\" #> Budget [Default Off]\n setenv CTM_IPR_1 \"$OUTDIR/CCTM_PA_1_${CTM_APPL}.nc -v\" #> Process Analysis\n setenv CTM_IPR_2 \"$OUTDIR/CCTM_PA_2_${CTM_APPL}.nc -v\" #> Process Analysis\n setenv CTM_IPR_3 \"$OUTDIR/CCTM_PA_3_${CTM_APPL}.nc -v\" #> Process Analysis\n setenv CTM_IRR_1 \"$OUTDIR/CCTM_IRR_1_${CTM_APPL}.nc -v\" #> Chem Process Analysis\n setenv CTM_IRR_2 \"$OUTDIR/CCTM_IRR_2_${CTM_APPL}.nc -v\" #> Chem Process Analysis\n setenv CTM_IRR_3 \"$OUTDIR/CCTM_IRR_3_${CTM_APPL}.nc -v\" #> Chem Process Analysis\n setenv CTM_DRY_DEP_MOS \"$OUTDIR/CCTM_DDMOS_${CTM_APPL}.nc -v\" #> Dry Dep\n setenv CTM_DEPV_MOS \"$OUTDIR/CCTM_DEPVMOS_${CTM_APPL}.nc -v\" #> Dry Dep Velocity\n setenv CTM_VDIFF_DIAG \"$OUTDIR/CCTM_VDIFF_DIAG_${CTM_APPL}.nc -v\" #> Vertical Dispersion Diagnostic\n setenv CTM_VSED_DIAG \"$OUTDIR/CCTM_VSED_DIAG_${CTM_APPL}.nc -v\" #> Particle Grav. Settling Velocity\n setenv CTM_LTNGDIAG_1 \"$OUTDIR/CCTM_LTNGHRLY_${CTM_APPL}.nc -v\" #> Hourly Avg Lightning NO\n setenv CTM_LTNGDIAG_2 \"$OUTDIR/CCTM_LTNGCOL_${CTM_APPL}.nc -v\" #> Column Total Lightning NO\n setenv CTM_VEXT_1 \"$OUTDIR/CCTM_VEXT_${CTM_APPL}.nc -v\" #> On-Hour 3D Concs at select sites\n\n #> set floor file (neg concs)\n setenv FLOOR_FILE ${OUTDIR}/FLOOR_${CTM_APPL}.txt\n\n #> look for existing log files and output files\n ( ls CTM_LOG_???.${CTM_APPL} > buff.txt ) >& /dev/null\n ( ls ${LOGDIR}/CTM_LOG_???.${CTM_APPL} >> buff.txt ) >& /dev/null\n set log_test = `cat buff.txt`; rm -f buff.txt\n\n set OUT_FILES = (${FLOOR_FILE} ${S_CGRID} ${CTM_CONC_1} ${A_CONC_1} ${MEDIA_CONC} \\\n ${CTM_DRY_DEP_1} $CTM_DEPV_DIAG $B3GTS_S $MEGAN_SOILOUT $BEIS_SOILOUT $BDSNPOUT \\\n $CTM_WET_DEP_1 $CTM_WET_DEP_2 $CTM_ELMO_1 $CTM_AELMO_1 \\\n $CTM_RJ_1 $CTM_RJ_2 $CTM_RJ_3 $CTM_SSEMIS_1 $CTM_DUST_EMIS_1 $CTM_IPR_1 $CTM_IPR_2 \\\n $CTM_IPR_3 $CTM_BUDGET $CTM_IRR_1 $CTM_IRR_2 $CTM_IRR_3 $CTM_DRY_DEP_MOS \\\n $CTM_DEPV_MOS $CTM_VDIFF_DIAG $CTM_VSED_DIAG $CTM_LTNGDIAG_1 $CTM_LTNGDIAG_2 $CTM_VEXT_1 )\n if ( $?CTM_ISAM ) then\n if ( $CTM_ISAM == 'Y' || $CTM_ISAM == 'T' ) then\n set OUT_FILES = (${OUT_FILES} ${SA_ACONC_1} ${SA_CONC_1} ${SA_DD_1} ${SA_WD_1} \\\n ${SA_CGRID_1} )\n endif\n endif\n if ( $?CTM_DDM3D ) then\n if ( $CTM_DDM3D == 'Y' || $CTM_DDM3D == 'T' ) then\n set OUT_FILES = (${OUT_FILES} ${CTM_SENS_1} ${A_SENS_1} ${CTM_SWETDEP_1} ${CTM_SDRYDEP_1} )\n endif\n endif\n set OUT_FILES = `echo $OUT_FILES | sed \"s; -v;;g\" | sed \"s;MPI:;;g\" `\n ( ls $OUT_FILES > buff.txt ) >& /dev/null\n set out_test = `cat buff.txt`; rm -f buff.txt\n \n #> delete previous output if requested\n if ( $CLOBBER_DATA == true || $CLOBBER_DATA == TRUE ) then\n echo \n echo \"Existing Logs and Output Files for Day ${TODAYG} Will Be Deleted\"\n\n #> remove previous log files\n foreach file ( ${log_test} )\n #echo \"Deleting log file: $file\"\n /bin/rm -f $file \n end\n \n #> remove previous output files\n foreach file ( ${out_test} )\n #echo \"Deleting output file: $file\"\n /bin/rm -f $file \n end\n /bin/rm -f ${OUTDIR}/CCTM_DESID*${CTM_APPL}.nc\n\n else\n #> error if previous log files exist\n if ( \"$log_test\" != \"\" ) then\n echo \"*** Logs exist - run ABORTED ***\"\n echo \"*** To overide, set CLOBBER_DATA = TRUE in run_cctm.csh ***\"\n echo \"*** and these files will be automatically deleted. ***\"\n exit 1\n endif\n \n #> error if previous output files exist\n if ( \"$out_test\" != \"\" ) then\n echo \"*** Output Files Exist - run will be ABORTED ***\"\n foreach file ( $out_test )\n echo \" cannot delete $file\"\n end\n echo \"*** To overide, set CLOBBER_DATA = TRUE in run_cctm.csh ***\"\n echo \"*** and these files will be automatically deleted. ***\"\n exit 1\n endif\n endif\n\n #> for the run control ...\n setenv CTM_STDATE $YYYYJJJ\n setenv CTM_STTIME $STTIME\n setenv CTM_RUNLEN $NSTEPS\n setenv CTM_TSTEP $TSTEP\n setenv INIT_CONC_1 $ICpath/$ICFILE\n setenv BNDY_CONC_1 $BCpath/$BCFILE\n setenv OMI $OMIpath/$OMIfile\n setenv MIE_TABLE $OUTDIR/mie_table_coeffs_${compilerString}.txt\n setenv OPTICS_DATA $OMIpath/$OPTfile\n #setenv XJ_DATA $JVALpath/$JVALfile\n \n #> species defn & photolysis\n setenv gc_matrix_nml ${NMLpath}/GC_$MECH.nml\n setenv ae_matrix_nml ${NMLpath}/AE_$MECH.nml\n setenv nr_matrix_nml ${NMLpath}/NR_$MECH.nml\n setenv tr_matrix_nml ${NMLpath}/Species_Table_TR_0.nml\n \n #> check for photolysis input data\n setenv CSQY_DATA ${NMLpath}/CSQY_DATA_$MECH\n\n if (! (-e $CSQY_DATA ) ) then\n echo \" $CSQY_DATA not found \"\n exit 1\n endif\n if (! (-e $OPTICS_DATA ) ) then\n echo \" $OPTICS_DATA not found \"\n exit 1\n endif\n\n# ===================================================================\n#> Execution Portion\n# ===================================================================\n\n #> Print attributes of the executable\n if ( $CTM_DIAG_LVL != 0 ) then\n ls -l $BLD/$EXEC\n size $BLD/$EXEC\n unlimit\n limit\n endif\n\n #> Print Startup Dialogue Information to Standard Out\n echo \n echo \"CMAQ Processing of Day $YYYYMMDD Began at `date`\"\n echo \n\n #> Executable call for single PE, uncomment to invoke\n #( /usr/bin/time -p $BLD/$EXEC ) |& tee buff_${EXECUTION_ID}.txt\n\n #> Executable call for multi PE, configure for your system \n # set MPI = /usr/local/intel/impi/3.2.2.006/bin64\n # set MPIRUN = $MPI/mpirun\n ( /usr/bin/time -p mpirun -np $NPROCS $BLD/$EXEC ) |& tee buff_${EXECUTION_ID}.txt\n \n #> Harvest Timing Output so that it may be reported below\n set rtarray = \"${rtarray} `tail -3 buff_${EXECUTION_ID}.txt | grep -Eo '[+-]?[0-9]+([.][0-9]+)?' | head -1` \"\n rm -rf buff_${EXECUTION_ID}.txt\n\n #> Abort script if abnormal termination\n if ( ! -e $OUTDIR/CCTM_CGRID_${CTM_APPL}.nc ) then\n echo \"\"\n echo \"**************************************************************\"\n echo \"** Runscript Detected an Error: CGRID file was not written. **\"\n echo \"** This indicates that CMAQ was interrupted or an issue **\"\n echo \"** exists with writing output. The runscript will now **\"\n echo \"** abort rather than proceeding to subsequent days. **\"\n echo \"**************************************************************\"\n break\n endif\n\n #> Print Concluding Text\n echo \n echo \"CMAQ Processing of Day $YYYYMMDD Finished at `date`\"\n echo\n echo \"\\\\\\\\\\=====\\\\\\\\\\=====\\\\\\\\\\=====\\\\\\\\\\=====/////=====/////=====/////=====/////\"\n echo\n\n# ===================================================================\n#> Finalize Run for This Day and Loop to Next Day\n# ===================================================================\n\n #> Save Log Files and Move on to Next Simulation Day\n mv CTM_LOG_???.${CTM_APPL} $LOGDIR\n if ( $CTM_DIAG_LVL != 0 ) then\n mv CTM_DIAG_???.${CTM_APPL} $LOGDIR\n endif\n\n #> The next simulation day will, by definition, be a restart\n setenv NEW_START false\n\n #> Increment both Gregorian and Julian Days\n set TODAYG = `date -ud \"${TODAYG}+1days\" +%Y-%m-%d` #> Add a day for tomorrow\n set TODAYJ = `date -ud \"${TODAYG}\" +%Y%j` #> Convert YYYY-MM-DD to YYYYJJJ\n\nend #Loop to the next Simulation Day\n\n# ===================================================================\n#> Generate Timing Report\n# ===================================================================\nset RTMTOT = 0\nforeach it ( `seq ${NDAYS}` )\n set rt = `echo ${rtarray} | cut -d' ' -f${it}`\n set RTMTOT = `echo \"${RTMTOT} + ${rt}\" | bc -l`\nend\n\nset RTMAVG = `echo \"scale=2; ${RTMTOT} / ${NDAYS}\" | bc -l`\nset RTMTOT = `echo \"scale=2; ${RTMTOT} / 1\" | bc -l`\n\necho\necho \"==================================\"\necho \" ***** CMAQ TIMING REPORT *****\"\necho \"==================================\"\necho \"Start Day: ${START_DATE}\"\necho \"End Day: ${END_DATE}\"\necho \"Number of Simulation Days: ${NDAYS}\"\necho \"Domain Name: ${GRID_NAME}\"\necho \"Number of Grid Cells: ${NCELLS} (ROW x COL x LAY)\"\necho \"Number of Layers: ${NZ}\"\necho \"Number of Processes: ${NPROCS}\"\necho \" All times are in seconds.\"\necho\necho \"Num Day Wall Time\"\nset d = 0\nset day = ${START_DATE}\nforeach it ( `seq ${NDAYS}` )\n # Set the right day and format it\n set d = `echo \"${d} + 1\" | bc -l`\n set n = `printf \"%02d\" ${d}`\n\n # Choose the correct time variables\n set rt = `echo ${rtarray} | cut -d' ' -f${it}`\n\n # Write out row of timing data\n echo \"${n} ${day} ${rt}\"\n\n # Increment day for next loop\n set day = `date -ud \"${day}+1days\" +%Y-%m-%d`\nend\necho \" Total Time = ${RTMTOT}\"\necho \" Avg. Time = ${RTMAVG}\"\n\nexit\n" }, { "path": "CCTM/src/ICL/fixed/const/CONST.EXT", "content": "\n!.......................................................................\n \n! INCLUDE FILE CONST.EXT\n \n! Contains: Fundamental constants for air quality modeling\n \n! Dependent Upon: none\n \n! Revision History: \n \n! Adapted 6/92 by CJC from ROM's PI.EXT.\n \n! 3/1/93 John McHenry - include constants needed by LCM aqueous chemistry\n! 9/93 by John McHenry - include additional constants needed for FMEM clouds\n! and aqueous chemistry\n \n! 3/4/96 Dr. Francis S. Binkowski - reflect current Models3 view that MKS\n! units should be used wherever possible and that sources be documented.\n! Some variables have been added, names changed, and values revised.\n \n! 3/7/96 - add universal gas constant and compute gas constant in chemical\n! form. TWOPI is now calculated rather than input. \n \n! 3/13/96 - group declarations and parameter statements\n! 9/13/96 - include more physical constants\n! 12/24/96 - eliminate silly EPSILON, AMISS\n! 1/06/97 - eliminate most derived constants - YOJ\n! 1/17/97 (comments only) to provide numerical values as reference - DWB \n! 4/30/08 - Changed REARTH to match default value in MM5 and WRF - TLO\n! 12/22/11 - upgraded non-standard code to F95\n \n! FSB References:\n \n! CRC76, \"CRC Handbook of Chemistry and Physics (76th Ed)\",\n! CRC Press, 1995 \n! Hobbs, P.V. \"Basic Physical Chemistry for the Atmospheric Sciences\",\n! Cambridge Univ. Press, 206 pp, 1995. \n! Snyder, J.P., \"Map Projections-A Working Manual, U.S. Geological Survey\n! Paper 1395 U.S.GPO, Washington, DC, 1987.\n! Stull, R. B., \"An Introduction to Bounday Layer Meteorology\", Kluwer, \n! Dordrecht, 1988\n!.......................................................................\n\n\n! Geometric Constants:\n\n REAL, PARAMETER :: PI = 3.14159265\n REAL( 8 ), PARAMETER :: DPI = 3.14159265358979324D0\n \n! pi/180 [ rad/deg ]\n REAL, PARAMETER :: PI180 = PI / 180.0\n\n! Geodetic Constants:\n \n! radius of the earth [ m ]\n! FSB: radius of sphere having same surface area as\n! Clarke ellipsoid of 1866 ( Source: Snyder, 1987)\n! REAL, PARAMETER :: REARTH = 6370997.0\n REAL, PARAMETER :: REARTH = 6370000.0 ! default Re in MM5 and WRF\n \n! length of a sidereal day [ sec ]\n! FSB: Source: CRC76 pp. 14-6 \n REAL, PARAMETER :: SIDAY = 86164.09\n \n! mean gravitational acceleration [ m/sec**2 ]\n! FSB: Value is mean of polar and equatorial values.\n! Source: CRC Handbook (76th Ed) pp. 14-6\n REAL, PARAMETER :: GRAV = 9.80622\n\n! latitude degrees to meters\n REAL, PARAMETER :: DG2M = REARTH * PI180\n\n! Solar Constant: \n! Solar constant [ W/m**2 ], p14-2 CRC76\n REAL, PARAMETER :: SOLCNST = 1373.0\n\n! Fundamental Constants: ( Source: CRC76, pp. 1-1 to 1-6)\n\n! Avogadro's Constant [ number/mol ]\n REAL, PARAMETER :: AVO = 6.0221367E23\n! The NIST Reference on Constants, Units, and Uncertainty. US National\n! Institute of Standards and Technology. June 2015. Retrieved 2017-04-21.\n! http://physics.nist.gov/cgi-bin/cuu/Value?na\n REAL( 8 ), PARAMETER :: DAVO = 6.02214085774D23\n\n! universal gas constant [ J/mol-K ]\n REAL, PARAMETER :: RGASUNIV = 8.314510\n! The NIST Reference on Constants, Units, and Uncertainty. US National\n! Institute of Standards and Technology. June 2015. Retrieved 2017-04-21.\n! http://physics.nist.gov/cgi-bin/cuu/Value?r\n REAL( 8 ), PARAMETER :: DRGASUNIV = 8.314459848D0\n\n! standard atmosphere [ Pa ]\n REAL, PARAMETER :: STDATMPA = 101325.0\n\n! Standard Temperature [ K ]\n REAL, PARAMETER :: STDTEMP = 273.15\n\n! Stefan-Boltzmann [ W/(m**2 K**4) ]\n REAL, PARAMETER :: STFBLZ = 5.67051E-8\n\n! FSB Non-MKS\n\n! Molar volume at STP [ L/mol ] Non MKS units \n REAL, PARAMETER :: MOLVOL = 22.41410\n\n! Atmospheric Constants: \n\n! mean molecular weight for dry air [ g/mol ]\n! FSB: 78.06% N2, 21% O2, and 0.943% A on a mole \n! fraction basis ( Source : Hobbs, 1995) pp. 69-70\n REAL, PARAMETER :: MWAIR = 28.9628\n\n! dry-air gas constant [ J / kg-K ]\n REAL, PARAMETER :: RDGAS = 1.0E3 * RGASUNIV / MWAIR ! 287.07548994\n\n! mean molecular weight for water vapor [ g/mol ]\n REAL, PARAMETER :: MWWAT = 18.0153\n\n! gas constant for water vapor [ J/kg-K ]\n REAL, PARAMETER :: RWVAP = 1.0E3 * RGASUNIV / MWWAT ! 461.52492604\n\n! FSB NOTE: CPD, CVD, CPWVAP and CVWVAP are calculated assuming dry air and\n! water vapor are classical ideal gases, i.e. vibration does not contribute\n! to internal energy.\n\n! specific heat of dry air at constant pressure [ J/kg-K ]\n REAL, PARAMETER :: CPD = 7.0 * RDGAS / 2.0 ! 1004.7642148 \n\n! specific heat of dry air at constant volume [ J/kg-K ]\n REAL, PARAMETER :: CVD = 5.0 * RDGAS / 2.0 ! 717.68872485\n\n! specific heat for water vapor at constant pressure [ J/kg-K ]\n REAL, PARAMETER :: CPWVAP = 4.0 * RWVAP ! 1846.0997042\n\n! specific heat for water vapor at constant volume [ J/kg-K ]\n REAL, PARAMETER :: CVWVAP = 3.0 * RWVAP ! 1384.5747781\n\n! vapor press of water at 0 C [ Pa ] Source: CRC76 pp. 6-15\n REAL, PARAMETER :: VP0 = 611.29\n\n! FSB The following values are taken from p. 641 of Stull (1988):\n\n! latent heat of vaporization of water at 0 C [ J/kg ]\n REAL, PARAMETER :: LV0 = 2.501E6\n\n! Rate of change of latent heat of vaporization with\n! respect to temperature [ J/kg-K ]\n REAL, PARAMETER :: DLVDT = 2370.0\n\n! latent heat of fusion of water at 0 C [ J/kg ]\n REAL, PARAMETER :: LF0 = 3.34E5\n\n!.......................................................................\n" }, { "path": "CCTM/src/ICL/fixed/emctrl/EMISPRM.EXT", "content": "\nC.......................................................................\nC Include File EMISPRM.EXT\n \nC Contains: Gas chemistry emissions processing control parameters\n \nC Revision History: initial\nC 3 Apr 09 J.Young: replace EMISPRM.vdif.EXT, EMISPRM.chem.EXT include\nC files with simpler implementation\nC.......................................................................\n\n LOGICAL, SAVE :: EMISVD ! gas chem emis processing in vert. diff\n INTEGER, SAVE :: NEMIS ! no. of gas chem emis species for vdiff\n\nC.......................................................................\n" }, { "path": "CCTM/src/ICL/fixed/filenames/FILES_CTM.EXT", "content": "\n! RCS file, release, date & time of last delta, author, state, [and locker]\n! $Header: /project/yoj/arc/ICL/src/fixed/filenames/FILES_CTM.EXT,v 1.4 2011/09/29 20:24:42 sjr Exp $ \n\n! what(1) key, module and SID; SCCS file; date and time of last delta:\n! @(#)FILES_CTM.EXT 2.2 /project/mod3/ICL/src/fixed/filenames/SCCS/s.FILES_CTM.EXT 25 Jul 1997 13:38:00\n\n!.......................................................................\n! Include File FILES3_CTM.EXT\n!\n! Contains: Standard logical name variables set in the model executing\n! shell environment\n \n! Dependent Upon: none\n \n! Revision History:\n! Prototype 5/93 by CJC\n! Feb, Mar 96, May 97 by Jeff\n! 24 July 97, Jeff, change PARAMETER to DATA\n! 31 Oct 2003, Jeff: F90-ize\n! 16 May 2005, P.Bhave, add OCEAN input and SSEMIS output files\n! 25 July 2008, S.Roselle: removed files associated with PING\n! 13 Aug 2008, S.Napelenok, added files for ddm-3d\n! 28 Feb 2011, J.Bash, Added files for NH3 bidi and MOSAIC\n! 11 May 11 D.Wong: added files for sub-domain time series\n! 14 Aug 14 J.Young: added vdiff and grav. settling diagnostic files\n! 3 Nov 2015 G. Sarwar deleted CHLOROPHYLL since it is not used\n! 3 Nov 2015 G. Sarwar added CTM_MGEM_1 output files\n! 1 Feb 2017 D. Kang Added CTM_LTNGDIAG_1 and CTM_LTNGDIAG_2 for Lightning\n! 29 Apr 2019 S.Napelenok: removed unused isam files\n! 20 May 2019 F. Sidi : Organized Files into input and output sections\n! 9 Jul 2019 T. Spero: added LUFRAC_CRO.\n! 17 Jul 2019 S. Roselle: replaced species-group IC and BC files with \n! INIT_CONC_1 and BNDY_CONC_1\n! 13 Dec 2019 S.Napelenok: updated sensitivity files to INIT_SENS_1 and \n! BNDY_SENS_1, remove REGIONS_1\n!.......................................................................\n\n INTEGER, PARAMETER :: N_FILES = 62\n\n CHARACTER( 16 ) :: LGCL_NAME( N_FILES ) \n LOGICAL IN_MODE( N_FILES )\n\n\n! CCTM Input Files:\n\n CHARACTER( 16 ) :: GRID_DOT_2D ! MCIP Generated File\n CHARACTER( 16 ) :: GRID_CRO_2D ! MCIP Generated File\n CHARACTER( 16 ) :: GRID_CRO_3D ! MCIP Generated File\n CHARACTER( 16 ) :: GRID_BDY_2D ! MCIP Generated File, Not used by CCTM anymore\n CHARACTER( 16 ) :: LUFRAC_CRO ! MCIP Generated File\n CHARACTER( 16 ) :: MET_BDY_2D ! MCIP Generated File, Not used by CCTM anymore\n CHARACTER( 16 ) :: MET_BDY_3D ! MCIP Generated File\n CHARACTER( 16 ) :: MET_DOT_3D ! MCIP Generated File \n CHARACTER( 16 ) :: MET_CRO_2D ! MCIP Generated File\n CHARACTER( 16 ) :: MET_CRO_3D ! MCIP Generated File\n CHARACTER( 16 ) :: OCEAN_1 ! OCEAN File\n CHARACTER( 16 ) :: INIT_CONC_1 ! IC FILE for all Species\n CHARACTER( 16 ) :: BNDY_CONC_1 ! BC FILE for all Species\n CHARACTER( 16 ) :: E2C_CHEM ! BIDI NH3 Config.\n CHARACTER( 16 ) :: E2C_CHEM_YEST ! BIDI NH3 Config.\n CHARACTER( 16 ) :: E2C_SOIL ! BIDI NH3 Config.\n CHARACTER( 16 ) :: E2C_LU ! BIDI NH3 Config.\n\n\n! CCTM Output Files:\n\n CHARACTER( 16 ) :: CTM_CONC_1 ! On-Hour Concentrations\n CHARACTER( 16 ) :: CTM_VEXT_1 ! On-Hour 3D Concentration at select sites\n CHARACTER( 16 ) :: CTM_DRY_DEP_1 ! Hourly Dry Deposition\n CHARACTER( 16 ) :: CTM_WET_DEP_1 ! Wet Deposition from all Clouds\n CHARACTER( 16 ) :: CTM_WET_DEP_2 ! Wet Deposition from SubGrid Clouds\n CHARACTER( 16 ) :: CTM_SSEMIS_1 ! Sea Spray Emissions\n CHARACTER( 16 ) :: CTM_MGEM_1 ! Marine Gas Emissions\n CHARACTER( 16 ) :: CTM_DUST_EMIS_1 ! Dust Emissions \n CHARACTER( 16 ) :: CTM_ELMO_1 ! On-Hour Particle Diagnostics \n CHARACTER( 16 ) :: CTM_AELMO_1 ! Hourly Avg. Particle Diagnostics\n CHARACTER( 16 ) :: CTM_LTNGDIAG_1 ! Hourly Avg Lightning NO\n CHARACTER( 16 ) :: CTM_LTNGDIAG_2 ! Column Total Lightning NO\n CHARACTER( 16 ) :: A_CONC_1 ! Hourly Avg. Concentrations\n CHARACTER( 16 ) :: CTM_DEPV_DIAG ! Dry Deposition Velocities\n CHARACTER( 16 ) :: CTM_PT3D_DIAG ! Point Source Emissions by Layer\n CHARACTER( 16 ) :: CTM_RJ_1 ! 2D Surface Summary from Inline Photolysis\n CHARACTER( 16 ) :: CTM_RJ_2 ! 3D Photolysis Rates\n CHARACTER( 16 ) :: CTM_RJ_3 ! 3D Optical and Radiative Results from Photolysis\n CHARACTER( 16 ) :: MEDIA_CONC ! NH3 Concentration in Media\n CHARACTER( 16 ) :: CTM_DEPV_MOS ! Dry Dep Velocity\n CHARACTER( 16 ) :: CTM_DRY_DEP_MOS ! Dry Dep\n CHARACTER( 16 ) :: CTM_VDIFF_DIAG ! Vertical Dispersion Diagnostic\n CHARACTER( 16 ) :: CTM_VSED_DIAG ! Particle Grav. Settling Velocity \n \n \n! CCTM Restart Files: \n\n CHARACTER( 16 ) :: S_CGRID ! 3D Inst. Concentrations\n CHARACTER( 16 ) :: INIT_MEDC_1 ! IC FILE\n \n\n! Process Analysis (PA) Output: \n \n CHARACTER( 16 ) :: CTM_IPR_1 \n CHARACTER( 16 ) :: CTM_IPR_2 \n CHARACTER( 16 ) :: CTM_IPR_3 \n CHARACTER( 16 ) :: CTM_IRR_1 ! Chem. Process Analysis\n CHARACTER( 16 ) :: CTM_IRR_2 ! Chem. Process Analysis\n CHARACTER( 16 ) :: CTM_IRR_3 ! Chem. Process Analysis\n \n\n! Two Way Output: \n \n CHARACTER( 16 ) :: CTM_SD_TS ! Sub Domain Time Step\n\n\n! DDM Files:\n\n CHARACTER( 16 ) :: INIT_SENS_1\n CHARACTER( 16 ) :: BNDY_SENS_1\n CHARACTER( 16 ) :: CTM_SENS_1\n CHARACTER( 16 ) :: A_SENS_1\n CHARACTER( 16 ) :: CTM_SWETDEP_1\n CHARACTER( 16 ) :: CTM_SDRYDEP_1\n\n\n!.....Source Apportionment (SA) Output files that contain tagged concentrations.....\n!.....Roger Kwok, Jul 2012:\n\n CHARACTER( 16 ) :: SA_CONC_1\n CHARACTER( 16 ) :: SA_CGRID_1\n CHARACTER( 16 ) :: SA_ACONC_1\n CHARACTER( 16 ) :: SA_DD_1\n CHARACTER( 16 ) :: SA_WD_1\n\n DATA GRID_DOT_2D / 'GRID_DOT_2D ' /\n DATA GRID_CRO_2D / 'GRID_CRO_2D ' /\n DATA GRID_CRO_3D / 'GRID_CRO_3D ' /\n DATA GRID_BDY_2D / 'GRID_BDY_2D ' /\n DATA LUFRAC_CRO / 'LUFRAC_CRO ' /\n DATA OCEAN_1 / 'OCEAN_1 ' /\n DATA MET_BDY_2D / 'MET_BDY_2D ' /\n DATA MET_BDY_3D / 'MET_BDY_3D ' /\n DATA MET_DOT_3D / 'MET_DOT_3D ' /\n DATA MET_CRO_2D / 'MET_CRO_2D ' /\n DATA MET_CRO_3D / 'MET_CRO_3D ' /\n DATA CTM_CONC_1 / 'CTM_CONC_1 ' /\n DATA CTM_VEXT_1 / 'CTM_VEXT_1 ' /\n DATA CTM_DRY_DEP_1 / 'CTM_DRY_DEP_1 ' /\n DATA CTM_WET_DEP_1 / 'CTM_WET_DEP_1 ' /\n DATA CTM_WET_DEP_2 / 'CTM_WET_DEP_2 ' /\n DATA CTM_SSEMIS_1 / 'CTM_SSEMIS_1 ' /\n DATA CTM_MGEM_1 / 'CTM_MGEM_1 ' /\n DATA CTM_DUST_EMIS_1 / 'CTM_DUST_EMIS_1 ' /\n DATA CTM_ELMO_1 / 'CTM_ELMO_1 ' /\n DATA CTM_AELMO_1 / 'CTM_AELMO_1 ' /\n DATA CTM_LTNGDIAG_1 / 'CTM_LTNGDIAG_1 ' /\n DATA CTM_LTNGDIAG_2 / 'CTM_LTNGDIAG_2 ' /\n DATA CTM_IPR_1 / 'CTM_IPR_1 ' /\n DATA CTM_IPR_2 / 'CTM_IPR_2 ' /\n DATA CTM_IPR_3 / 'CTM_IPR_3 ' /\n DATA CTM_IRR_1 / 'CTM_IRR_1 ' /\n DATA CTM_IRR_2 / 'CTM_IRR_2 ' /\n DATA CTM_IRR_3 / 'CTM_IRR_3 ' /\n DATA A_CONC_1 / 'A_CONC_1 ' /\n DATA S_CGRID / 'S_CGRID ' /\n DATA INIT_CONC_1 / 'INIT_CONC_1 ' /\n DATA BNDY_CONC_1 / 'BNDY_CONC_1 ' /\n DATA CTM_DEPV_DIAG / 'CTM_DEPV_DIAG ' /\n DATA CTM_PT3D_DIAG / 'CTM_PT3D_DIAG ' /\n DATA CTM_RJ_1 / 'CTM_RJ_1 ' /\n DATA CTM_RJ_2 / 'CTM_RJ_2 ' /\n DATA CTM_RJ_3 / 'CTM_RJ_3 ' /\n DATA INIT_MEDC_1 / 'INIT_MEDC_1 ' /\n DATA MEDIA_CONC / 'MEDIA_CONC ' /\n DATA INIT_SENS_1 / 'INIT_SENS_1 ' /\n DATA BNDY_SENS_1 / 'BNDY_SENS_1 ' /\n DATA CTM_SENS_1 / 'CTM_SENS_1 ' /\n DATA A_SENS_1 / 'A_SENS_1 ' /\n DATA CTM_SWETDEP_1 / 'CTM_SWETDEP_1 ' /\n DATA CTM_SDRYDEP_1 / 'CTM_SDRYDEP_1 ' /\n DATA CTM_DEPV_MOS / 'CTM_DEPV_MOS ' /\n DATA CTM_DRY_DEP_MOS / 'CTM_DRY_DEP_MOS ' /\n DATA E2C_CHEM / 'E2C_CHEM ' /\n DATA E2C_CHEM_YEST / 'E2C_CHEM_YEST ' /\n DATA E2C_SOIL / 'E2C_SOIL ' /\n DATA E2C_LU / 'E2C_LU ' /\n DATA CTM_SD_TS / 'CTM_SD_TS ' /\n DATA CTM_VDIFF_DIAG / 'CTM_VDIFF_DIAG ' /\n DATA CTM_VSED_DIAG / 'CTM_VSED_DIAG ' /\n DATA SA_CONC_1 / 'SA_CONC_1 ' /\n DATA SA_CGRID_1 / 'SA_CGRID_1 ' /\n DATA SA_ACONC_1 / 'SA_ACONC_1 ' /\n DATA SA_DD_1 / 'SA_DD_1 ' /\n DATA SA_WD_1 / 'SA_WD_1 ' /\n\n DATA LGCL_NAME( 1 ), IN_MODE( 1 ) / 'GRID_DOT_2D ', .TRUE. /\n DATA LGCL_NAME( 2 ), IN_MODE( 2 ) / 'GRID_CRO_2D ', .TRUE. /\n DATA LGCL_NAME( 3 ), IN_MODE( 3 ) / 'GRID_CRO_3D ', .TRUE. /\n DATA LGCL_NAME( 4 ), IN_MODE( 4 ) / 'GRID_BDY_2D ', .TRUE. /\n DATA LGCL_NAME( 5 ), IN_MODE( 5 ) / 'LUFRAC_CRO ', .TRUE. /\n DATA LGCL_NAME( 6 ), IN_MODE( 6 ) / 'OCEAN_1 ', .TRUE. /\n DATA LGCL_NAME( 7 ), IN_MODE( 7 ) / 'MET_BDY_2D ', .TRUE. /\n DATA LGCL_NAME( 8 ), IN_MODE( 8 ) / 'MET_BDY_3D ', .TRUE. /\n DATA LGCL_NAME( 9 ), IN_MODE( 9 ) / 'MET_DOT_3D ', .TRUE. /\n DATA LGCL_NAME( 10 ), IN_MODE( 10 ) / 'MET_CRO_2D ', .TRUE. /\n DATA LGCL_NAME( 11 ), IN_MODE( 11 ) / 'MET_CRO_3D ', .TRUE. /\n DATA LGCL_NAME( 12 ), IN_MODE( 12 ) / 'CTM_CONC_1 ', .FALSE. /\n DATA LGCL_NAME( 13 ), IN_MODE( 13 ) / 'CTM_VEXT_1 ', .FALSE. /\n DATA LGCL_NAME( 14 ), IN_MODE( 14 ) / 'CTM_DRY_DEP_1 ', .FALSE. /\n DATA LGCL_NAME( 15 ), IN_MODE( 15 ) / 'CTM_WET_DEP_1 ', .FALSE. /\n DATA LGCL_NAME( 16 ), IN_MODE( 16 ) / 'CTM_WET_DEP_2 ', .FALSE. /\n DATA LGCL_NAME( 17 ), IN_MODE( 17 ) / 'CTM_SSEMIS_1 ', .FALSE. /\n DATA LGCL_NAME( 18 ), IN_MODE( 18 ) / 'CTM_MGEM_1 ', .FALSE. /\n DATA LGCL_NAME( 19 ), IN_MODE( 19 ) / 'CTM_DUST_EMIS_1 ', .FALSE. /\n DATA LGCL_NAME( 20 ), IN_MODE( 20 ) / 'CTM_ELMO_1 ', .FALSE. /\n DATA LGCL_NAME( 21 ), IN_MODE( 21 ) / 'CTM_AELMO_1 ', .FALSE. /\n DATA LGCL_NAME( 22 ), IN_MODE( 22 ) / 'CTM_LTNGDIAG_1 ', .FALSE. /\n DATA LGCL_NAME( 23 ), IN_MODE( 23 ) / 'CTM_LTNGDIAG_2 ', .FALSE. /\n DATA LGCL_NAME( 24 ), IN_MODE( 24 ) / 'CTM_IPR_1 ', .FALSE. /\n DATA LGCL_NAME( 25 ), IN_MODE( 25 ) / 'CTM_IPR_2 ', .FALSE. /\n DATA LGCL_NAME( 26 ), IN_MODE( 26 ) / 'CTM_IPR_3 ', .FALSE. /\n DATA LGCL_NAME( 27 ), IN_MODE( 27 ) / 'CTM_IRR_1 ', .FALSE. /\n DATA LGCL_NAME( 28 ), IN_MODE( 28 ) / 'CTM_IRR_2 ', .FALSE. /\n DATA LGCL_NAME( 29 ), IN_MODE( 29 ) / 'CTM_IRR_3 ', .FALSE. /\n DATA LGCL_NAME( 30 ), IN_MODE( 30 ) / 'A_CONC_1 ', .FALSE. /\n DATA LGCL_NAME( 31 ), IN_MODE( 31 ) / 'S_CGRID ', .FALSE. /\n DATA LGCL_NAME( 32 ), IN_MODE( 32 ) / 'INIT_CONC_1 ', .FALSE. /\n DATA LGCL_NAME( 33 ), IN_MODE( 33 ) / 'BNDY_CONC_1 ', .FALSE. /\n DATA LGCL_NAME( 34 ), IN_MODE( 34 ) / 'CTM_DEPV_DIAG ', .FALSE. /\n DATA LGCL_NAME( 35 ), IN_MODE( 35 ) / 'CTM_PT3D_DIAG ', .FALSE. /\n DATA LGCL_NAME( 36 ), IN_MODE( 36 ) / 'CTM_RJ_1 ', .FALSE. /\n DATA LGCL_NAME( 37 ), IN_MODE( 37 ) / 'CTM_RJ_2 ', .FALSE. /\n DATA LGCL_NAME( 38 ), IN_MODE( 38 ) / 'CTM_RJ_3 ', .FALSE. /\n DATA LGCL_NAME( 39 ), IN_MODE( 39 ) / 'INIT_MEDC_1 ', .FALSE. /\n DATA LGCL_NAME( 40 ), IN_MODE( 40 ) / 'MEDIA_CONC ', .FALSE. /\n DATA LGCL_NAME( 41 ), IN_MODE( 41 ) / 'INIT_SENS_1 ', .FALSE. /\n DATA LGCL_NAME( 42 ), IN_MODE( 42 ) / 'BNDY_SENS_1 ', .FALSE. /\n DATA LGCL_NAME( 43 ), IN_MODE( 43 ) / 'CTM_SENS_1 ', .FALSE. /\n DATA LGCL_NAME( 44 ), IN_MODE( 44 ) / 'A_SENS_1 ', .FALSE. /\n DATA LGCL_NAME( 45 ), IN_MODE( 45 ) / 'CTM_SWETDEP_1 ', .FALSE. /\n DATA LGCL_NAME( 46 ), IN_MODE( 46 ) / 'CTM_SDRYDEP_1 ', .FALSE. /\n DATA LGCL_NAME( 47 ), IN_MODE( 47 ) / 'CTM_DEPV_MOS ', .FALSE. /\n DATA LGCL_NAME( 48 ), IN_MODE( 48 ) / 'CTM_DRY_DEP_MOS ', .FALSE. /\n DATA LGCL_NAME( 49 ), IN_MODE( 49 ) / 'CTM_DRY_DEP_FST ', .FALSE. /\n DATA LGCL_NAME( 50 ), IN_MODE( 50 ) / 'CTM_DEPV_FST ', .FALSE. /\n DATA LGCL_NAME( 51 ), IN_MODE( 51 ) / 'E2C_CHEM ', .FALSE. /\n DATA LGCL_NAME( 52 ), IN_MODE( 52 ) / 'E2C_CHEM_YEST ', .FALSE. /\n DATA LGCL_NAME( 53 ), IN_MODE( 53 ) / 'E2C_SOIL ', .FALSE. /\n DATA LGCL_NAME( 54 ), IN_MODE( 54 ) / 'E2C_LU ', .FALSE. /\n DATA LGCL_NAME( 55 ), IN_MODE( 55 ) / 'CTM_SD_TS ', .FALSE. /\n DATA LGCL_NAME( 56 ), IN_MODE( 56 ) / 'CTM_VDIFF_DIAG ', .FALSE. /\n DATA LGCL_NAME( 57 ), IN_MODE( 57 ) / 'CTM_VSED_DIAG ', .FALSE. /\n DATA LGCL_NAME( 58 ), IN_MODE( 58 ) / 'SA_CONC_1 ', .FALSE. /\n DATA LGCL_NAME( 59 ), IN_MODE( 59 ) / 'SA_CGRID_1 ', .FALSE. /\n DATA LGCL_NAME( 60 ), IN_MODE( 60 ) / 'SA_ACONC_1 ', .FALSE. /\n DATA LGCL_NAME( 61 ), IN_MODE( 61 ) / 'SA_DD_1 ', .FALSE. /\n DATA LGCL_NAME( 62 ), IN_MODE( 62 ) / 'SA_WD_1 ', .FALSE. /\n\n!................ end FILES_CTM.EXT .............................\n" }, { "path": "CCTM/src/ICL/fixed/mpi/PE_COMM.EXT", "content": "C PE communication displacement and direction masks\nC NOTE: NE, NW, SE, SW stencils not used in CMAQ\n\nC.......................................................................\n\n! CHARACTER( 12 ) :: DSPL_N0_E0_S0_W0 = ' 0 0 0 0'\n CHARACTER( 12 ) :: DSPL_N0_E0_S0_W1 = ' 0 0 0 1'\n CHARACTER( 12 ) :: DSPL_N0_E0_S1_W0 = ' 0 0 1 0'\n CHARACTER( 12 ) :: DSPL_N0_E0_S1_W1 = ' 0 0 1 1'\n CHARACTER( 12 ) :: DSPL_N0_E1_S0_W0 = ' 0 1 0 0'\n CHARACTER( 12 ) :: DSPL_N0_E1_S0_W1 = ' 0 1 0 1'\n CHARACTER( 12 ) :: DSPL_N0_E1_S1_W0 = ' 0 1 1 0'\n CHARACTER( 12 ) :: DSPL_N0_E1_S1_W1 = ' 0 1 1 1'\n CHARACTER( 12 ) :: DSPL_N1_E0_S0_W0 = ' 1 0 0 0'\n CHARACTER( 12 ) :: DSPL_N1_E0_S0_W1 = ' 1 0 0 1'\n CHARACTER( 12 ) :: DSPL_N1_E0_S1_W0 = ' 1 0 1 0'\n CHARACTER( 12 ) :: DSPL_N1_E0_S1_W1 = ' 1 0 1 1'\n CHARACTER( 12 ) :: DSPL_N1_E1_S0_W0 = ' 1 1 0 0'\n CHARACTER( 12 ) :: DSPL_N1_E1_S0_W1 = ' 1 1 0 1'\n CHARACTER( 12 ) :: DSPL_N1_E1_S1_W0 = ' 1 1 1 0'\n CHARACTER( 12 ) :: DSPL_N1_E1_S1_W1 = ' 1 1 1 1'\n\n CHARACTER( 12 ) :: DSPL_N1_E0_S2_W0 = ' 1 0 2 0'\n CHARACTER( 12 ) :: DSPL_N2_E0_S2_W0 = ' 2 0 2 0'\n CHARACTER( 12 ) :: DSPL_N2_E0_S1_W0 = ' 2 0 1 0'\n CHARACTER( 12 ) :: DSPL_N0_E1_S0_W2 = ' 0 1 0 2'\n CHARACTER( 12 ) :: DSPL_N0_E2_S0_W2 = ' 0 2 0 2'\n\n! CHARACTER( 16 ) :: DRCN = ' 0 0 0 0 0 0 0 0'\n CHARACTER( 16 ) :: DRCN_NW = ' 0 0 0 0 0 0 0 1'\n CHARACTER( 16 ) :: DRCN_W = ' 0 0 0 0 0 0 1 0'\n CHARACTER( 16 ) :: DRCN_W_NW = ' 0 0 0 0 0 0 1 1'\n CHARACTER( 16 ) :: DRCN_SW = ' 0 0 0 0 0 1 0 0'\n CHARACTER( 16 ) :: DRCN_SW_NW = ' 0 0 0 0 0 1 0 1'\n CHARACTER( 16 ) :: DRCN_SW_W = ' 0 0 0 0 0 1 1 0'\n CHARACTER( 16 ) :: DRCN_SW_W_NW = ' 0 0 0 0 0 1 1 1'\n CHARACTER( 16 ) :: DRCN_S = ' 0 0 0 0 1 0 0 0'\n CHARACTER( 16 ) :: DRCN_S_NW = ' 0 0 0 0 1 0 0 1'\n CHARACTER( 16 ) :: DRCN_S_W = ' 0 0 0 0 1 0 1 0'\n CHARACTER( 16 ) :: DRCN_S_W_NW = ' 0 0 0 0 1 0 1 1'\n CHARACTER( 16 ) :: DRCN_S_SW = ' 0 0 0 0 1 1 0 0'\n CHARACTER( 16 ) :: DRCN_S_SW_NW = ' 0 0 0 0 1 1 0 1'\n CHARACTER( 16 ) :: DRCN_S_SW_W = ' 0 0 0 0 1 1 1 0'\n CHARACTER( 16 ) :: DRCN_S_SW_W_NW = ' 0 0 0 0 1 1 1 1'\n CHARACTER( 16 ) :: DRCN_SE = ' 0 0 0 1 0 0 0 0'\n CHARACTER( 16 ) :: DRCN_SE_NW = ' 0 0 0 1 0 0 0 1'\n CHARACTER( 16 ) :: DRCN_SE_W = ' 0 0 0 1 0 0 1 0'\n CHARACTER( 16 ) :: DRCN_SE_W_NW = ' 0 0 0 1 0 0 1 1'\n CHARACTER( 16 ) :: DRCN_SE_SW = ' 0 0 0 1 0 1 0 0'\n CHARACTER( 16 ) :: DRCN_SE_SW_NW = ' 0 0 0 1 0 1 0 1'\n CHARACTER( 16 ) :: DRCN_SE_SW_W = ' 0 0 0 1 0 1 1 0'\n CHARACTER( 16 ) :: DRCN_SE_SW_W_NW = ' 0 0 0 1 0 1 1 1'\n CHARACTER( 16 ) :: DRCN_SE_S = ' 0 0 0 1 1 0 0 0'\n CHARACTER( 16 ) :: DRCN_SE_S_NW = ' 0 0 0 1 1 0 0 1'\n CHARACTER( 16 ) :: DRCN_SE_S_W = ' 0 0 0 1 1 0 1 0'\n CHARACTER( 16 ) :: DRCN_SE_S_W_NW = ' 0 0 0 1 1 0 1 1'\n CHARACTER( 16 ) :: DRCN_SE_S_SW = ' 0 0 0 1 1 1 0 0'\n CHARACTER( 16 ) :: DRCN_SE_S_SW_NW = ' 0 0 0 1 1 1 0 1'\n CHARACTER( 16 ) :: DRCN_SE_S_SW_W = ' 0 0 0 1 1 1 1 0'\n CHARACTER( 16 ) :: DRCN_SE_S_SW_W_NW = ' 0 0 0 1 1 1 1 1'\n CHARACTER( 16 ) :: DRCN_E = ' 0 0 1 0 0 0 0 0'\n CHARACTER( 16 ) :: DRCN_E_NW = ' 0 0 1 0 0 0 0 1'\n CHARACTER( 16 ) :: DRCN_E_W = ' 0 0 1 0 0 0 1 0'\n CHARACTER( 16 ) :: DRCN_E_W_NW = ' 0 0 1 0 0 0 1 1'\n CHARACTER( 16 ) :: DRCN_E_SW = ' 0 0 1 0 0 1 0 0'\n CHARACTER( 16 ) :: DRCN_E_SW_NW = ' 0 0 1 0 0 1 0 1'\n CHARACTER( 16 ) :: DRCN_E_SW_W = ' 0 0 1 0 0 1 1 0'\n CHARACTER( 16 ) :: DRCN_E_SW_W_NW = ' 0 0 1 0 0 1 1 1'\n CHARACTER( 16 ) :: DRCN_E_S = ' 0 0 1 0 1 0 0 0'\n CHARACTER( 16 ) :: DRCN_E_S_NW = ' 0 0 1 0 1 0 0 1'\n CHARACTER( 16 ) :: DRCN_E_S_W = ' 0 0 1 0 1 0 1 0'\n CHARACTER( 16 ) :: DRCN_E_S_W_NW = ' 0 0 1 0 1 0 1 1'\n CHARACTER( 16 ) :: DRCN_E_S_SW = ' 0 0 1 0 1 1 0 0'\n CHARACTER( 16 ) :: DRCN_E_S_SW_NW = ' 0 0 1 0 1 1 0 1'\n CHARACTER( 16 ) :: DRCN_E_S_SW_W = ' 0 0 1 0 1 1 1 0'\n CHARACTER( 16 ) :: DRCN_E_S_SW_W_NW = ' 0 0 1 0 1 1 1 1'\n CHARACTER( 16 ) :: DRCN_E_SE = ' 0 0 1 1 0 0 0 0'\n CHARACTER( 16 ) :: DRCN_E_SE_NW = ' 0 0 1 1 0 0 0 1'\n CHARACTER( 16 ) :: DRCN_E_SE_W = ' 0 0 1 1 0 0 1 0'\n CHARACTER( 16 ) :: DRCN_E_SE_W_NW = ' 0 0 1 1 0 0 1 1'\n CHARACTER( 16 ) :: DRCN_E_SE_SW = ' 0 0 1 1 0 1 0 0'\n CHARACTER( 16 ) :: DRCN_E_SE_SW_NW = ' 0 0 1 1 0 1 0 1'\n CHARACTER( 16 ) :: DRCN_E_SE_SW_W = ' 0 0 1 1 0 1 1 0'\n CHARACTER( 16 ) :: DRCN_E_SE_SW_W_NW = ' 0 0 1 1 0 1 1 1'\n CHARACTER( 16 ) :: DRCN_E_SE_S = ' 0 0 1 1 1 0 0 0'\n CHARACTER( 16 ) :: DRCN_E_SE_S_NW = ' 0 0 1 1 1 0 0 1'\n CHARACTER( 16 ) :: DRCN_E_SE_S_W = ' 0 0 1 1 1 0 1 0'\n CHARACTER( 16 ) :: DRCN_E_SE_S_W_NW = ' 0 0 1 1 1 0 1 1'\n CHARACTER( 16 ) :: DRCN_E_SE_S_SW = ' 0 0 1 1 1 1 0 0'\n CHARACTER( 16 ) :: DRCN_E_SE_S_SW_NW = ' 0 0 1 1 1 1 0 1'\n CHARACTER( 16 ) :: DRCN_E_SE_S_SW_W = ' 0 0 1 1 1 1 1 0'\n CHARACTER( 16 ) :: DRCN_E_SE_S_SW_W_NW = ' 0 0 1 1 1 1 1 1'\n CHARACTER( 16 ) :: DRCN_NE = ' 0 1 0 0 0 0 0 0'\n CHARACTER( 16 ) :: DRCN_NE_NW = ' 0 1 0 0 0 0 0 1'\n CHARACTER( 16 ) :: DRCN_NE_W = ' 0 1 0 0 0 0 1 0'\n CHARACTER( 16 ) :: DRCN_NE_W_NW = ' 0 1 0 0 0 0 1 1'\n CHARACTER( 16 ) :: DRCN_NE_SW = ' 0 1 0 0 0 1 0 0'\n CHARACTER( 16 ) :: DRCN_NE_SW_NW = ' 0 1 0 0 0 1 0 1'\n CHARACTER( 16 ) :: DRCN_NE_SW_W = ' 0 1 0 0 0 1 1 0'\n CHARACTER( 16 ) :: DRCN_NE_SW_W_NW = ' 0 1 0 0 0 1 1 1'\n CHARACTER( 16 ) :: DRCN_NE_S = ' 0 1 0 0 1 0 0 0'\n CHARACTER( 16 ) :: DRCN_NE_S_NW = ' 0 1 0 0 1 0 0 1'\n CHARACTER( 16 ) :: DRCN_NE_S_W = ' 0 1 0 0 1 0 1 0'\n CHARACTER( 16 ) :: DRCN_NE_S_W_NW = ' 0 1 0 0 1 0 1 1'\n CHARACTER( 16 ) :: DRCN_NE_S_SW = ' 0 1 0 0 1 1 0 0'\n CHARACTER( 16 ) :: DRCN_NE_S_SW_NW = ' 0 1 0 0 1 1 0 1'\n CHARACTER( 16 ) :: DRCN_NE_S_SW_W = ' 0 1 0 0 1 1 1 0'\n CHARACTER( 16 ) :: DRCN_NE_S_SW_W_NW = ' 0 1 0 0 1 1 1 1'\n CHARACTER( 16 ) :: DRCN_NE_SE = ' 0 1 0 1 0 0 0 0'\n CHARACTER( 16 ) :: DRCN_NE_SE_NW = ' 0 1 0 1 0 0 0 1'\n CHARACTER( 16 ) :: DRCN_NE_SE_W = ' 0 1 0 1 0 0 1 0'\n CHARACTER( 16 ) :: DRCN_NE_SE_W_NW = ' 0 1 0 1 0 0 1 1'\n CHARACTER( 16 ) :: DRCN_NE_SE_SW = ' 0 1 0 1 0 1 0 0'\n CHARACTER( 16 ) :: DRCN_NE_SE_SW_NW = ' 0 1 0 1 0 1 0 1'\n CHARACTER( 16 ) :: DRCN_NE_SE_SW_W = ' 0 1 0 1 0 1 1 0'\n CHARACTER( 16 ) :: DRCN_NE_SE_SW_W_NW = ' 0 1 0 1 0 1 1 1'\n CHARACTER( 16 ) :: DRCN_NE_SE_S = ' 0 1 0 1 1 0 0 0'\n CHARACTER( 16 ) :: DRCN_NE_SE_S_NW = ' 0 1 0 1 1 0 0 1'\n CHARACTER( 16 ) :: DRCN_NE_SE_S_W = ' 0 1 0 1 1 0 1 0'\n CHARACTER( 16 ) :: DRCN_NE_SE_S_W_NW = ' 0 1 0 1 1 0 1 1'\n CHARACTER( 16 ) :: DRCN_NE_SE_S_SW = ' 0 1 0 1 1 1 0 0'\n CHARACTER( 16 ) :: DRCN_NE_SE_S_SW_NW = ' 0 1 0 1 1 1 0 1'\n CHARACTER( 16 ) :: DRCN_NE_SE_S_SW_W = ' 0 1 0 1 1 1 1 0'\n CHARACTER( 16 ) :: DRCN_NE_SE_S_SW_W_NW = ' 0 1 0 1 1 1 1 1'\n CHARACTER( 16 ) :: DRCN_NE_E = ' 0 1 1 0 0 0 0 0'\n CHARACTER( 16 ) :: DRCN_NE_E_NW = ' 0 1 1 0 0 0 0 1'\n CHARACTER( 16 ) :: DRCN_NE_E_W = ' 0 1 1 0 0 0 1 0'\n CHARACTER( 16 ) :: DRCN_NE_E_W_NW = ' 0 1 1 0 0 0 1 1'\n CHARACTER( 16 ) :: DRCN_NE_E_SW = ' 0 1 1 0 0 1 0 0'\n CHARACTER( 16 ) :: DRCN_NE_E_SW_NW = ' 0 1 1 0 0 1 0 1'\n CHARACTER( 16 ) :: DRCN_NE_E_SW_W = ' 0 1 1 0 0 1 1 0'\n CHARACTER( 16 ) :: DRCN_NE_E_SW_W_NW = ' 0 1 1 0 0 1 1 1'\n CHARACTER( 16 ) :: DRCN_NE_E_S = ' 0 1 1 0 1 0 0 0'\n CHARACTER( 16 ) :: DRCN_NE_E_S_NW = ' 0 1 1 0 1 0 0 1'\n CHARACTER( 16 ) :: DRCN_NE_E_S_W = ' 0 1 1 0 1 0 1 0'\n CHARACTER( 16 ) :: DRCN_NE_E_S_W_NW = ' 0 1 1 0 1 0 1 1'\n CHARACTER( 16 ) :: DRCN_NE_E_S_SW = ' 0 1 1 0 1 1 0 0'\n CHARACTER( 16 ) :: DRCN_NE_E_S_SW_NW = ' 0 1 1 0 1 1 0 1'\n CHARACTER( 16 ) :: DRCN_NE_E_S_SW_W = ' 0 1 1 0 1 1 1 0'\n CHARACTER( 16 ) :: DRCN_NE_E_S_SW_W_NW = ' 0 1 1 0 1 1 1 1'\n CHARACTER( 16 ) :: DRCN_NE_E_SE = ' 0 1 1 1 0 0 0 0'\n CHARACTER( 16 ) :: DRCN_NE_E_SE_NW = ' 0 1 1 1 0 0 0 1'\n CHARACTER( 16 ) :: DRCN_NE_E_SE_W = ' 0 1 1 1 0 0 1 0'\n CHARACTER( 16 ) :: DRCN_NE_E_SE_W_NW = ' 0 1 1 1 0 0 1 1'\n CHARACTER( 16 ) :: DRCN_NE_E_SE_SW = ' 0 1 1 1 0 1 0 0'\n CHARACTER( 16 ) :: DRCN_NE_E_SE_SW_NW = ' 0 1 1 1 0 1 0 1'\n CHARACTER( 16 ) :: DRCN_NE_E_SE_SW_W = ' 0 1 1 1 0 1 1 0'\n CHARACTER( 16 ) :: DRCN_NE_E_SE_SW_W_NW = ' 0 1 1 1 0 1 1 1'\n CHARACTER( 16 ) :: DRCN_NE_E_SE_S = ' 0 1 1 1 1 0 0 0'\n CHARACTER( 16 ) :: DRCN_NE_E_SE_S_NW = ' 0 1 1 1 1 0 0 1'\n CHARACTER( 16 ) :: DRCN_NE_E_SE_S_W = ' 0 1 1 1 1 0 1 0'\n CHARACTER( 16 ) :: DRCN_NE_E_SE_S_W_NW = ' 0 1 1 1 1 0 1 1'\n CHARACTER( 16 ) :: DRCN_NE_E_SE_S_SW = ' 0 1 1 1 1 1 0 0'\n CHARACTER( 16 ) :: DRCN_NE_E_SE_S_SW_NW = ' 0 1 1 1 1 1 0 1'\n CHARACTER( 16 ) :: DRCN_NE_E_SE_S_SW_W = ' 0 1 1 1 1 1 1 0'\n CHARACTER( 16 ) :: DRCN_NE_E_SE_S_SW_W_NW = ' 0 1 1 1 1 1 1 1'\n CHARACTER( 16 ) :: DRCN_N = ' 1 0 0 0 0 0 0 0'\n CHARACTER( 16 ) :: DRCN_N_NW = ' 1 0 0 0 0 0 0 1'\n CHARACTER( 16 ) :: DRCN_N_W = ' 1 0 0 0 0 0 1 0'\n CHARACTER( 16 ) :: DRCN_N_W_NW = ' 1 0 0 0 0 0 1 1'\n CHARACTER( 16 ) :: DRCN_N_SW = ' 1 0 0 0 0 1 0 0'\n CHARACTER( 16 ) :: DRCN_N_SW_NW = ' 1 0 0 0 0 1 0 1'\n CHARACTER( 16 ) :: DRCN_N_SW_W = ' 1 0 0 0 0 1 1 0'\n CHARACTER( 16 ) :: DRCN_N_SW_W_NW = ' 1 0 0 0 0 1 1 1'\n CHARACTER( 16 ) :: DRCN_N_S = ' 1 0 0 0 1 0 0 0'\n CHARACTER( 16 ) :: DRCN_N_S_NW = ' 1 0 0 0 1 0 0 1'\n CHARACTER( 16 ) :: DRCN_N_S_W = ' 1 0 0 0 1 0 1 0'\n CHARACTER( 16 ) :: DRCN_N_S_W_NW = ' 1 0 0 0 1 0 1 1'\n CHARACTER( 16 ) :: DRCN_N_S_SW = ' 1 0 0 0 1 1 0 0'\n CHARACTER( 16 ) :: DRCN_N_S_SW_NW = ' 1 0 0 0 1 1 0 1'\n CHARACTER( 16 ) :: DRCN_N_S_SW_W = ' 1 0 0 0 1 1 1 0'\n CHARACTER( 16 ) :: DRCN_N_S_SW_W_NW = ' 1 0 0 0 1 1 1 1'\n CHARACTER( 16 ) :: DRCN_N_SE = ' 1 0 0 1 0 0 0 0'\n CHARACTER( 16 ) :: DRCN_N_SE_NW = ' 1 0 0 1 0 0 0 1'\n CHARACTER( 16 ) :: DRCN_N_SE_W = ' 1 0 0 1 0 0 1 0'\n CHARACTER( 16 ) :: DRCN_N_SE_W_NW = ' 1 0 0 1 0 0 1 1'\n CHARACTER( 16 ) :: DRCN_N_SE_SW = ' 1 0 0 1 0 1 0 0'\n CHARACTER( 16 ) :: DRCN_N_SE_SW_NW = ' 1 0 0 1 0 1 0 1'\n CHARACTER( 16 ) :: DRCN_N_SE_SW_W = ' 1 0 0 1 0 1 1 0'\n CHARACTER( 16 ) :: DRCN_N_SE_SW_W_NW = ' 1 0 0 1 0 1 1 1'\n CHARACTER( 16 ) :: DRCN_N_SE_S = ' 1 0 0 1 1 0 0 0'\n CHARACTER( 16 ) :: DRCN_N_SE_S_NW = ' 1 0 0 1 1 0 0 1'\n CHARACTER( 16 ) :: DRCN_N_SE_S_W = ' 1 0 0 1 1 0 1 0'\n CHARACTER( 16 ) :: DRCN_N_SE_S_W_NW = ' 1 0 0 1 1 0 1 1'\n CHARACTER( 16 ) :: DRCN_N_SE_S_SW = ' 1 0 0 1 1 1 0 0'\n CHARACTER( 16 ) :: DRCN_N_SE_S_SW_NW = ' 1 0 0 1 1 1 0 1'\n CHARACTER( 16 ) :: DRCN_N_SE_S_SW_W = ' 1 0 0 1 1 1 1 0'\n CHARACTER( 16 ) :: DRCN_N_SE_S_SW_W_NW = ' 1 0 0 1 1 1 1 1'\n CHARACTER( 16 ) :: DRCN_N_E = ' 1 0 1 0 0 0 0 0'\n CHARACTER( 16 ) :: DRCN_N_E_NW = ' 1 0 1 0 0 0 0 1'\n CHARACTER( 16 ) :: DRCN_N_E_W = ' 1 0 1 0 0 0 1 0'\n CHARACTER( 16 ) :: DRCN_N_E_W_NW = ' 1 0 1 0 0 0 1 1'\n CHARACTER( 16 ) :: DRCN_N_E_SW = ' 1 0 1 0 0 1 0 0'\n CHARACTER( 16 ) :: DRCN_N_E_SW_NW = ' 1 0 1 0 0 1 0 1'\n CHARACTER( 16 ) :: DRCN_N_E_SW_W = ' 1 0 1 0 0 1 1 0'\n CHARACTER( 16 ) :: DRCN_N_E_SW_W_NW = ' 1 0 1 0 0 1 1 1'\n CHARACTER( 16 ) :: DRCN_N_E_S = ' 1 0 1 0 1 0 0 0'\n CHARACTER( 16 ) :: DRCN_N_E_S_NW = ' 1 0 1 0 1 0 0 1'\n CHARACTER( 16 ) :: DRCN_N_E_S_W = ' 1 0 1 0 1 0 1 0'\n! for backward compatiblity\n CHARACTER( 16 ) :: DRCN_NESW = ' 1 0 1 0 1 0 1 0'\n CHARACTER( 16 ) :: DRCN_N_E_S_W_NW = ' 1 0 1 0 1 0 1 1'\n CHARACTER( 16 ) :: DRCN_N_E_S_SW = ' 1 0 1 0 1 1 0 0'\n CHARACTER( 16 ) :: DRCN_N_E_S_SW_NW = ' 1 0 1 0 1 1 0 1'\n CHARACTER( 16 ) :: DRCN_N_E_S_SW_W = ' 1 0 1 0 1 1 1 0'\n CHARACTER( 16 ) :: DRCN_N_E_S_SW_W_NW = ' 1 0 1 0 1 1 1 1'\n CHARACTER( 16 ) :: DRCN_N_E_SE = ' 1 0 1 1 0 0 0 0'\n CHARACTER( 16 ) :: DRCN_N_E_SE_NW = ' 1 0 1 1 0 0 0 1'\n CHARACTER( 16 ) :: DRCN_N_E_SE_W = ' 1 0 1 1 0 0 1 0'\n CHARACTER( 16 ) :: DRCN_N_E_SE_W_NW = ' 1 0 1 1 0 0 1 1'\n CHARACTER( 16 ) :: DRCN_N_E_SE_SW = ' 1 0 1 1 0 1 0 0'\n CHARACTER( 16 ) :: DRCN_N_E_SE_SW_NW = ' 1 0 1 1 0 1 0 1'\n CHARACTER( 16 ) :: DRCN_N_E_SE_SW_W = ' 1 0 1 1 0 1 1 0'\n CHARACTER( 16 ) :: DRCN_N_E_SE_SW_W_NW = ' 1 0 1 1 0 1 1 1'\n CHARACTER( 16 ) :: DRCN_N_E_SE_S = ' 1 0 1 1 1 0 0 0'\n CHARACTER( 16 ) :: DRCN_N_E_SE_S_NW = ' 1 0 1 1 1 0 0 1'\n CHARACTER( 16 ) :: DRCN_N_E_SE_S_W = ' 1 0 1 1 1 0 1 0'\n CHARACTER( 16 ) :: DRCN_N_E_SE_S_W_NW = ' 1 0 1 1 1 0 1 1'\n CHARACTER( 16 ) :: DRCN_N_E_SE_S_SW = ' 1 0 1 1 1 1 0 0'\n CHARACTER( 16 ) :: DRCN_N_E_SE_S_SW_NW = ' 1 0 1 1 1 1 0 1'\n CHARACTER( 16 ) :: DRCN_N_E_SE_S_SW_W = ' 1 0 1 1 1 1 1 0'\n CHARACTER( 16 ) :: DRCN_N_E_SE_S_SW_W_NW = ' 1 0 1 1 1 1 1 1'\n CHARACTER( 16 ) :: DRCN_N_NE = ' 1 1 0 0 0 0 0 0'\n CHARACTER( 16 ) :: DRCN_N_NE_NW = ' 1 1 0 0 0 0 0 1'\n CHARACTER( 16 ) :: DRCN_N_NE_W = ' 1 1 0 0 0 0 1 0'\n CHARACTER( 16 ) :: DRCN_N_NE_W_NW = ' 1 1 0 0 0 0 1 1'\n CHARACTER( 16 ) :: DRCN_N_NE_SW = ' 1 1 0 0 0 1 0 0'\n CHARACTER( 16 ) :: DRCN_N_NE_SW_NW = ' 1 1 0 0 0 1 0 1'\n CHARACTER( 16 ) :: DRCN_N_NE_SW_W = ' 1 1 0 0 0 1 1 0'\n CHARACTER( 16 ) :: DRCN_N_NE_SW_W_NW = ' 1 1 0 0 0 1 1 1'\n CHARACTER( 16 ) :: DRCN_N_NE_S = ' 1 1 0 0 1 0 0 0'\n CHARACTER( 16 ) :: DRCN_N_NE_S_NW = ' 1 1 0 0 1 0 0 1'\n CHARACTER( 16 ) :: DRCN_N_NE_S_W = ' 1 1 0 0 1 0 1 0'\n CHARACTER( 16 ) :: DRCN_N_NE_S_W_NW = ' 1 1 0 0 1 0 1 1'\n CHARACTER( 16 ) :: DRCN_N_NE_S_SW = ' 1 1 0 0 1 1 0 0'\n CHARACTER( 16 ) :: DRCN_N_NE_S_SW_NW = ' 1 1 0 0 1 1 0 1'\n CHARACTER( 16 ) :: DRCN_N_NE_S_SW_W = ' 1 1 0 0 1 1 1 0'\n CHARACTER( 16 ) :: DRCN_N_NE_S_SW_W_NW = ' 1 1 0 0 1 1 1 1'\n CHARACTER( 16 ) :: DRCN_N_NE_SE = ' 1 1 0 1 0 0 0 0'\n CHARACTER( 16 ) :: DRCN_N_NE_SE_NW = ' 1 1 0 1 0 0 0 1'\n CHARACTER( 16 ) :: DRCN_N_NE_SE_W = ' 1 1 0 1 0 0 1 0'\n CHARACTER( 16 ) :: DRCN_N_NE_SE_W_NW = ' 1 1 0 1 0 0 1 1'\n CHARACTER( 16 ) :: DRCN_N_NE_SE_SW = ' 1 1 0 1 0 1 0 0'\n CHARACTER( 16 ) :: DRCN_N_NE_SE_SW_NW = ' 1 1 0 1 0 1 0 1'\n CHARACTER( 16 ) :: DRCN_N_NE_SE_SW_W = ' 1 1 0 1 0 1 1 0'\n CHARACTER( 16 ) :: DRCN_N_NE_SE_SW_W_NW = ' 1 1 0 1 0 1 1 1'\n CHARACTER( 16 ) :: DRCN_N_NE_SE_S = ' 1 1 0 1 1 0 0 0'\n CHARACTER( 16 ) :: DRCN_N_NE_SE_S_NW = ' 1 1 0 1 1 0 0 1'\n CHARACTER( 16 ) :: DRCN_N_NE_SE_S_W = ' 1 1 0 1 1 0 1 0'\n CHARACTER( 16 ) :: DRCN_N_NE_SE_S_W_NW = ' 1 1 0 1 1 0 1 1'\n CHARACTER( 16 ) :: DRCN_N_NE_SE_S_SW = ' 1 1 0 1 1 1 0 0'\n CHARACTER( 16 ) :: DRCN_N_NE_SE_S_SW_NW = ' 1 1 0 1 1 1 0 1'\n CHARACTER( 16 ) :: DRCN_N_NE_SE_S_SW_W = ' 1 1 0 1 1 1 1 0'\n CHARACTER( 16 ) :: DRCN_N_NE_SE_S_SW_W_NW = ' 1 1 0 1 1 1 1 1'\n CHARACTER( 16 ) :: DRCN_N_NE_E = ' 1 1 1 0 0 0 0 0'\n CHARACTER( 16 ) :: DRCN_N_NE_E_NW = ' 1 1 1 0 0 0 0 1'\n CHARACTER( 16 ) :: DRCN_N_NE_E_W = ' 1 1 1 0 0 0 1 0'\n CHARACTER( 16 ) :: DRCN_N_NE_E_W_NW = ' 1 1 1 0 0 0 1 1'\n CHARACTER( 16 ) :: DRCN_N_NE_E_SW = ' 1 1 1 0 0 1 0 0'\n CHARACTER( 16 ) :: DRCN_N_NE_E_SW_NW = ' 1 1 1 0 0 1 0 1'\n CHARACTER( 16 ) :: DRCN_N_NE_E_SW_W = ' 1 1 1 0 0 1 1 0'\n CHARACTER( 16 ) :: DRCN_N_NE_E_SW_W_NW = ' 1 1 1 0 0 1 1 1'\n CHARACTER( 16 ) :: DRCN_N_NE_E_S = ' 1 1 1 0 1 0 0 0'\n CHARACTER( 16 ) :: DRCN_N_NE_E_S_NW = ' 1 1 1 0 1 0 0 1'\n CHARACTER( 16 ) :: DRCN_N_NE_E_S_W = ' 1 1 1 0 1 0 1 0'\n CHARACTER( 16 ) :: DRCN_N_NE_E_S_W_NW = ' 1 1 1 0 1 0 1 1'\n CHARACTER( 16 ) :: DRCN_N_NE_E_S_SW = ' 1 1 1 0 1 1 0 0'\n CHARACTER( 16 ) :: DRCN_N_NE_E_S_SW_NW = ' 1 1 1 0 1 1 0 1'\n CHARACTER( 16 ) :: DRCN_N_NE_E_S_SW_W = ' 1 1 1 0 1 1 1 0'\n CHARACTER( 16 ) :: DRCN_N_NE_E_S_SW_W_NW = ' 1 1 1 0 1 1 1 1'\n CHARACTER( 16 ) :: DRCN_N_NE_E_SE = ' 1 1 1 1 0 0 0 0'\n CHARACTER( 16 ) :: DRCN_N_NE_E_SE_NW = ' 1 1 1 1 0 0 0 1'\n CHARACTER( 16 ) :: DRCN_N_NE_E_SE_W = ' 1 1 1 1 0 0 1 0'\n CHARACTER( 16 ) :: DRCN_N_NE_E_SE_W_NW = ' 1 1 1 1 0 0 1 1'\n CHARACTER( 16 ) :: DRCN_N_NE_E_SE_SW = ' 1 1 1 1 0 1 0 0'\n CHARACTER( 16 ) :: DRCN_N_NE_E_SE_SW_NW = ' 1 1 1 1 0 1 0 1'\n CHARACTER( 16 ) :: DRCN_N_NE_E_SE_SW_W = ' 1 1 1 1 0 1 1 0'\n CHARACTER( 16 ) :: DRCN_N_NE_E_SE_SW_W_NW = ' 1 1 1 1 0 1 1 1'\n CHARACTER( 16 ) :: DRCN_N_NE_E_SE_S = ' 1 1 1 1 1 0 0 0'\n CHARACTER( 16 ) :: DRCN_N_NE_E_SE_S_NW = ' 1 1 1 1 1 0 0 1'\n CHARACTER( 16 ) :: DRCN_N_NE_E_SE_S_W = ' 1 1 1 1 1 0 1 0'\n CHARACTER( 16 ) :: DRCN_N_NE_E_SE_S_W_NW = ' 1 1 1 1 1 0 1 1'\n CHARACTER( 16 ) :: DRCN_N_NE_E_SE_S_SW = ' 1 1 1 1 1 1 0 0'\n CHARACTER( 16 ) :: DRCN_N_NE_E_SE_S_SW_NW = ' 1 1 1 1 1 1 0 1'\n CHARACTER( 16 ) :: DRCN_N_NE_E_SE_S_SW_W = ' 1 1 1 1 1 1 1 0'\n CHARACTER( 16 ) :: DRCN_N_NE_E_SE_S_SW_W_NW = ' 1 1 1 1 1 1 1 1'\n CHARACTER( 16 ) :: DRCN_ALL = ' 1 1 1 1 1 1 1 1'\nC.......................................................................\n" }, { "path": "CCTM/src/MECHS/README.md", "content": "\n### CMAQ Chemical Mechanisms\n\nThe CMAQ modeling system accounts for chemistry in three phases: gas, aerosol, and cloud droplets. Available mechanisms include variations of three photochemistry schemes such as different representations of secondary organic aerosols, additional model species representing Hazardous Air Pollutants, inclusion of dimethyl sulfide chemistry or detailed isoprene chemistry. Please consult the release notes for changes to mechanisms available in a specific version of CMAQ. \n\nFortran modules and namelists define a chemical mechanisms for the CMAQ model. Subdirectories of the $CMAQ_MODEL/CCTM/src/MECHS directory contain the files for available mechanisms. The species and emission control namelists enable setting runtime options for a mechanism. Species namelists define names, molecular weights and atmospheric processes (e.g., transport, cloud chemistry, and deposition). The files also determine whether the species concentrations and deposition results are written to output files. Emission control namelists define the emission inputs for model species. Two Fortran modules, RXNS_DATA_MODULE.F90 and RXNS_FUNC_MODULE.F90, define photochemistry for a mechanism. The data module specifies reactions and parameters. The functions module initializes photochemistry and calculates reaction rates constants. Because model source code define photochemistry for a mechanism, an executable version of the CMAQ model has a fixed photochemistry. \nTo modify or change photochemistry, requires modifying or replacing the modules then recompiling. The approach may not work because data hardcoded within the photochemistry solver is not correct, _if using an Euler Backward Interative (EBI) solver_, or because data used to calculate photolysis rates is not complete.\n\n### Using predefined chemical mechanisms\n\nTo select a predefined mechanism configuration in CMAQ, set the *Mechanism* variable in the build scripts to a one of the mechanism subdirectories located under $CMAQ_MODEL/CCTM/src/MECHS. The below table lists mechanisms available in this version of the CMAQ model.\n\nTable 1. CMAQv5.4 Chemical Mechanisms\n\n|**Mechanism Name** | **Photochemistry** | **Model Species1,2** | **Cloud Chemistry Module3** |\n| ----------------- | ---------------------------------------------------- | -------------------- | ---------------------- |\n| cb6r3_ae7_aq | [Carbon Bond 6 version r3 with aero7 treatment of SOA](mechanism_information/cb6r3_ae7_aq/mech_cb6r3_ae7_aq.md) | [species table](mechanism_information/cb6r3_ae7_aq/cb6r3_ae7_aq_species_table.md) | acm_ae7 |\n| cb6r5_ae7_aq | [Carbon Bond 6 version r5 with aero7 treatment of SOA](mechanism_information/cb6r5_ae7_aq/mech_cb6r5_ae7_aq.md) | [species table](mechanism_information/cb6r5_ae7_aq/cb6r5_ae7_aq_species_table.md) | acm_ae7 |\n| cb6r5hap_ae7_aq | [Carbon Bond 6 version r5 with air toxics and aero7 treatment of SOA](mechanism_information/cb6r5_ae7_aq/mech_cb6r5_ae7_aq.md) | [species table](mechanism_information/cb6r5hap_ae7_aq/cb6r5hap_ae7_aq_species_table.md) | acm_ae7 |\n| cb6r5_ae7_aqkmt2 | [Carbon Bond 6 version r5 with aero7 treatment of SOA](mechanism_information/cb6r5_ae7_aq/mech_cb6r5_ae7_aq.md) | [species table](mechanism_information/cb6r5_ae7_aq/cb6r5_ae7_aq_species_table.md) | acm_ae7_kmt2 |\n| cb6r5m_ae7_aq | [Carbon Bond 6 version r5 with aero7 treatment of SOA and DMS and marine halogen chemistry](mechanism_information/cb6r5m_ae7_aq/mech_cb6r5m_ae7_aq.md) | [species table](mechanism_information/cb6r5m_ae7_aq/cb6r5m_ae7_aq_species_table.md) | acm_ae7_aq |\n| racm2_ae6_aq | [Regional Atmospheric Chemistry Mechanism version 2 with aero6 treatment of SOA](mechanism_information/racm2_ae6_aq/mech_racm2_ae6_aq.md) | [species table](mechanism_information/racm2_ae6_aq/racm2_ae6_aq_species_table.md) | acm_ae6 |\n| saprc07tic_ae7i_aq | [State Air Pollution Research Center version 07tc with extended isoprene chemistry and aero7i treatment of SOA]( mechanism_information/saprc07tic_ae7i_aq/mech_saprc07tic_ae7i_aq.md) | [species table](mechanism_information/saprc07tic_ae7i_aq/saprc07tic_ae7i_aq_species_table.md) | acm_ae7 |\n| saprc07tic_ae7i_aqkmt2 | [State Air Pollution Research Center version 07tc with extended isoprene chemistry and aero7i treatment of SOA](mechanism_information/saprc07tic_ae7i_aq/mech_saprc07tic_ae7i_aq.md) | [species table](mechanism_information/saprc07tic_ae7i_aq/saprc07tic_ae7i_aq_species_table.md) | acm_ae7_kmt2 |\n| saprc07tc_ae6_aq | [State Air Pollution Research Center version 07tc with aero6 treatment of SOA](mechanism_information/saprc07tc_ae6_aq/mech_saprc07tc_ae6_aq.md) | [species table](mechanism_information/saprc07tc_ae6_aq/saprc07tc_ae6_aq_species_table.md) | acm_ae6 | \n| cracmm1_aq | [Community Regional Atmospheric Chemistry Multiphase Mechanism version 1.0](mechanism_information/cracmm1_aq/mech_cracmm1_aq.md) | [species table](mechanism_information/cracmm1_aq/cracmm1_aq_species_table.md) | acm | \n| cracmm1amore_aq | [Community Regional Atmospheric Chemistry Multiphase Mechanism version 1.0 with AMORE isoprene condensation](mechanism_information/cracmm1amore_aq/mech_cracmm1amore_aq.md) | [species table](mechanism_information/cracmm1amore_aq/cracmm1amore_aq_species_table.md) | acm | \n| cracmm2 | [Community Regional Atmospheric Chemistry Multiphase Mechanism version 2](mechanism_information/cracmm2/mech_cracmm2.md) | [species table](mechanism_information/cracmm2/cracmm2_species_table.md) | acm |\n\n1. mechanisms can share the same model species but differ cloud chemistry\n2. species tables define model species in a mechanism's GC, AE, and NR namelists.\n3. _kmt_ and _acm_ refers to the kinetic mass transfer to cloud droplets and the convective cloud/transport representation, respectively\n\n\n### Creating or modifying a mechanism's photochemistry\n\nEditing a mechanism's Fortran modules is one way to make simple changes to thhe photochemistry scheme. More complex changes (_adding reactions and model species_) or creating a new scheme requires 1) creating new namelists with a text editor (_if adding new model species_) and 2) using the CMAQ chemical mechanism utility, CHEMMECH, to produce new Fortran modules. The CHEMMECH utility translates an ASCII file listing reactions for photochemistry into the Fortran modules used by CMAQ. For more information, consult the README file under $CMAQ_MODEL/UTIL/chemmech.\nCreating new mechanism modules may not be the last steps for the CMAQ model to use the photochemistry update. If changes add a new photolysis rate(s), the inline_phot_preproc or jproc utility has to create CMAQ input file(s) for the photolysis module used. If CMAQ is using an EBI solver to solve photochemistry, the create_ebi utility has to be used to create a new solver. These three utilities use the mechanism data module produced by the CHEMMECH utility. \n\n### Using species namelist files\n\nSpecies namelists define the four groups of model species: gas (GC), aerosol (AE), non-reactive (NR), and tracer (TR) species simulated by the CMAQ model.\nIt reads namelists to define processes determining concentrations. For example, species namelists can be used to apply uniform scaling factors to several physical processes. Dry deposition of NO can be reduced by 50% by applying a factor of 0.5 to the dry deposition velocity for NO. Similarly, the boundary conditions of O3 can be increased by 50% by applying a factor of 1.5. The gas, aerosol, and non-reactive namelists define a specific mechanism. \nThe tracer namelist is generally interchangable between mechanisms. It can be employed for transport and deposition studies. \nExample tracer namelists are under $CMAQ_MODEL/CCTM/src/MECHS/trac0 (_the version most often used_) and $CMAQ_MODEL/CCTM/src/MECHS/trac1.\n\n### Points to emphasize on chemical mechanisms\n\n- The Euler Backward Iterative (EBI) solver for photochemistry is hardcoded to the Fortran data module representing photochemistry and specific names in the species namelists. If either change, a new or different EBI solver source code is needed.\n- The Rosenbrock and SMVGEAR photochemistry solvers are not hardcoded the above files so they are more easily allow changing these files.\n\n### Sulfur Tracking Method (STM) option\n\nThis release of CMAQ includes a runtime option that provides detailed information on the modeled sulfur budget. This option, referred to as the \"Sulfur Tracking Method (STM)\", tracks sulfate production from gas- and aqueous-phase chemical reactions, as well as contributions from emissions and initial and boundary conditions. The STM option is activated by setting an environment variable in the CTM runscript:\n\n```\nsetenv STM_SO4TRACK Y\n```\n\nSulfur tracking species are added to the AE and NR groups at runtime if you enable this option. Table 2 provides a list of inorganic sulfur tracking species. Table 3 lists additional tracking species for the loss of inorganic sulfate to organosulfate for chemical mechanisms that include this loss pathway (SAPRC07TIC_AE6I, SAPRC07TIC_AE7I, CB6R3_AE7, or CB6R5M_AE7 mechanisms).\n\nTable 2. Sulfur Tracking Species\n\n|Species Group|Species Name| MW | Description |\n|:------------|:-----------|:-----|:------------|\n|AE |ASO4AQH2O2J | 96.0 |Accumulation mode sulfate (ASO4J) produced by aqueous-phase hydrogen peroxide oxidation reaction: H2O2 + S(IV) -> S(VI) + H2O |\n|AE |ASO4AQO3J | 96.0 |ASO4J produced by aqueous-phase ozone oxidation reaction: O3 + S(IV) -> S(VI) + O2 |\n|AE |ASO4AQFEMNJ | 96.0 |ASO4J produced by aqueous-phase oxygen catalyzed by Fe3+ and Mn2+ oxidation reaction: O2 + S(IV) -> S(VI) |\n|AE |ASO4AQMHPJ | 96.0 |ASO4J produced by aqueous-phase methyl hydrogen peroxide oxidation reaction: MHP + S(IV) -> S(VI) |\n|AE |ASO4AQPAAJ | 96.0 |ASO4J produced by aqueous-phase peroxyacetic acid oxidation reaction: PAA + S(IV) -> S(VI) |\n|AE |ASO4GASJ | 96.0 |ASO4J condensation following gas-phase reaction: OH + SO2 -> SULF + HO2 |\n|AE |ASO4EMISJ | 96.0 |ASO4J from source emissions |\n|AE |ASO4ICBCJ | 96.0 |ASO4J from boundary and initial conditions |\n|AE |ASO4GASI | 96.0 |Aitken mode sulfate (ASO4I) nucleation and/or condensation following gas-phase reaction: OH + SO2 -> SULF + HO2 |\n|AE |ASO4EMISI | 96.0 |ASO4I from source emissions |\n|AE |ASO4ICBCI | 96.0 |ASO4I from boundary and initial conditions |\n|AE |ASO4GASK | 96.0 |Coarse mode sulfate (ASO4K) condensation following gas-phase reaction: OH + SO2 -> SULF + HO2 |\n|AE |ASO4EMISK | 96.0 |ASO4K from source emissions |\n|AE |ASO4ICBCK | 96.0 |ASO4K from boundary and initial conditions |\n|NR |SULF_ICBC | 98.0 |Sulfuric acid vapor (SULF) from boundary and initial conditions |\n\nTable 3. Additional Tracking Species Representing Loss of Inorganic Sulfate to Organosulfate (only included if using SAPRC07TIC_AE6I, SAPRC07TIC_AE7I, CB6R3_AE7, or CB6R5M_AE7 mechanisms).\n\n|Species Group|Species Name| MW | Description |\n|:------------|:-----------|:-----|:------------|\n|AE |OSO4J | 96.0 |Loss of ASO4J to organosulfate |\n|AE |OSO4AQH2O2J | 96.0 |Loss of ASO4AQH2O2J to organosulfate |\n|AE |OSO4AQO3J | 96.0 |Loss of ASO4AQO3J to organosulfate |\n|AE |OSO4AQFEMNJ | 96.0 |Loss of ASO4AQFEMNJ to organosulfate |\n|AE |OSO4AQMHPJ | 96.0 |Loss of ASO4AQMHPJ to organosulfate |\n|AE |OSO4AQPAAJ | 96.0 |Loss of ASO4AQPAAJ to organosulfate |\n|AE |OSO4GASJ | 96.0 |Loss of ASO4GASJ to organosulfate |\n|AE |OSO4EMISJ | 96.0 |Loss of ASO4EMISJ to organosulfate |\n|AE |OSO4ICBCJ | 96.0 |Loss of ASO4ICBCJ to organosulfate |\n" }, { "path": "CCTM/src/MECHS/cb6r3_ae7_aq/AE_cb6r3_ae7_aq.nml", "content": "&AE_nml\n\nAE_SPECIES_DATA = \n\n!SPECIES ,MOLWT ,Aitken ,Accum ,Coarse ,OPTICS ,IC ,ICFAC ,BC ,BC_FAC ,DRYDEP SURR ,FAC ,WET-SCAV SURR ,FAC ,AE2AQ SURR ,TRNS ,DDEP ,WDEP ,CONC\n'ASO4' , 96.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'SO4' , 1 ,'SO4' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ANH4' , 18.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'NH4' , 1 ,'NH4' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ANO3' , 62.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'NO3' , 1 ,'NO3' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ANA' , 23.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'NA' , 1 ,'NA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ACL' , 35.50 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'CL' , 1 ,'CL' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AISO1' ,132.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AISO2' ,133.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASQT' ,273.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AORGC' ,177.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'AORGC' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AEC' , 12.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'EC' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AOTHR' ,200.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'PRI' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AFE' , 55.80 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'FE' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AAL' , 27.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'PRI' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASI' , 28.10 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'PRI' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ATI' , 47.90 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'PRI' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ACA' , 40.10 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'CA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMG' , 24.30 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'MG' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AK' , 39.10 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'K' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMN' , 54.90 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'MN' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ACORS' ,100.00 ,F ,F ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'ANTH' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASOIL' ,100.00 ,F ,F ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'SOIL' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'NUM' , 1.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VNUM' , 1 ,'NUM' , 1 ,'NUM' ,'Yes' ,'' ,'' ,'Yes',\n'SRF' , 1.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VSRF' , 1 ,'SRF' , 1 ,'SRF' ,'Yes' ,'' ,'' ,'Yes',\n'AORGH2O' , 18.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'H2O' , 1 ,'H2O' ,'Yes' ,'' ,'' ,'Yes',\n'AH2O' , 18.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'H2O' , 1 ,'H2O' ,'Yes' ,'' ,'' ,'Yes',\n'AH3OP' , 19.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'' ,-1 ,'' ,'Yes' ,'' ,'' ,'Yes',\n'ASEACAT' , 23.75 ,F ,F ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'SEAS' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AISO3' ,168.20 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AOLGA' ,206.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AOLGB' ,248.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AGLY' , 66.40 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMTNO3' ,231.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMTHYD' ,168.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'APOC' ,220.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes', \n'APNCOM' ,220.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes', \n'APCSO' ,170.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ALVPO1' ,218.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASVPO1' ,230.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASVPO2' ,241.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASVPO3' ,253.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AIVPO1' ,266.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ALVOO1' ,136.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ALVOO2' ,136.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASVOO1' ,135.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASVOO2' ,135.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASVOO3' ,134.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AAVB1' ,198.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AAVB2' ,179.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AAVB3' ,169.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AAVB4' ,158.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMT1' ,300.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMT2' ,200.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMT3' ,186.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMT4' ,184.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMT5' ,170.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMT6' ,168.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n/\n" }, { "path": "CCTM/src/MECHS/cb6r3_ae7_aq/CMAQ_Control_DESID_cb6r3_ae7_aq.nml", "content": "!------------------------------------------------------------------------------!\n! Emission Control Interface !\n! for the !\n! Detailed Emissions Scaling, Isolation, and Diagnostics (DESID) Module, !\n! part of the !\n! Community Multiscale Air Quality (CMAQ) Model !\n! developed and maintained by the !\n! Center for Environmental Measurement and Modeling (CEMM), !\n! Office of Research and Development (ORD) !\n! U.S. Environmental Protection Agency (USEPA) !\n! !\n! This namelist is consistent with CMAQv5.4 (Release AUGUST 2022) !\n! !\n! See CMAQ User's Guide Appendix B (https://github.com/USEPA/CMAQ/blob/main/ !\n! DOCS/Users_Guide/Appendix/CMAQ_UG_appendixB_emissions_control.md) !\n! and Murphy et al., Geoscientific Model Development, 14, 3407-3420, !\n! https://doi.org/10.5194/gmd-14-3407-2021, 2021. !\n!------------------------------------------------------------------------------!\n\n!------------------------------------------------------------------------------!\n! Emissions Scaling Rule Specification Component !\n! Each rule is presented as a row of inputs. The syntax of the !\n! emissions scaling rules is the following: !\n! EM_INSTR(I) = 'Region Label', 'Stream Label', 'Emission-Species', !\n! 'CMAQ-Species', 'Phase/Mode', 'Scale Factor', 'Basis', !\n! 'Operation' !\n! !\n! See the User's Guide for detailed definitions of each field. !\n! !\n! You may confirm the effect of the (default and custom) rules below by !\n! inspecting the processor-dependent log files (\"CTM_LOG_XXX...\") !\n! !\n! Note: If no rules are provided for a species, then there is no emission !\n! of that species. !\n!------------------------------------------------------------------------------!\n&Desid_ScalingVars\n Desid_Max_Rules = 2000\n/\n\n&Desid_Scaling\n Desid_Rules_nml =\n\n ! Region | Stream Label |Emission | CMAQ- |Phase/|Scale |Basis |Op \n ! Label | |Species | Species |Mode |Factor| | \n \n ! Gases \n 'EVERYWHERE', 'ALL' ,'NO2' ,'NO2' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'NO' ,'NO' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'HONO' ,'HONO' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'SO2' ,'SO2' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'NH3' ,'NH3' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'AACD' ,'AACD' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ALD2' ,'ALD2' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'FORM' ,'FORM' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'MEOH' ,'MEOH' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'FACD' ,'FACD' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'CO' ,'CO' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ALDX' ,'ALDX' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ETHA' ,'ETHA' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ETOH' ,'ETOH' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'KET' ,'KET' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PAR' ,'PAR' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ACET' ,'ACET' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PRPA' ,'PRPA' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ETHY' ,'ETHY' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ETH' ,'ETH' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'OLE' ,'OLE' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'IOLE' ,'IOLE' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ISOP' ,'ISOP' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'APIN' ,'APIN' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'TERP' ,'TERP' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'BENZ' ,'BENZENE' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'TOL' ,'TOL' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'XYLMN' ,'XYLMN' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'NAPH' ,'NAPH' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'CH4' ,'ECH4' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'CL2' ,'CL2' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'HCL' ,'HCL' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'SESQ' ,'SESQ' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'SOAALK' ,'SOAALK' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ACROLEIN','ACROLEIN' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ALD2_PRIMARY','ALD2_PRIMARY','GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'FORM_PRIMARY','FORM_PRIMARY','GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ACROLEIN','ACRO_PRIMARY','GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'BUTADIENE13','BUTADIENE13' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'SULF' ,'SULF' ,'GAS' ,0. ,'UNIT','a', \n\n ! Fine-Mode Aerosols\n 'EVERYWHERE', 'ALL' ,'SULF' ,'ASO4' ,'FINE' ,1. ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PSO4' ,'ASO4' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PNH4' ,'ANH4' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PNO3' ,'ANO3' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PCL' ,'ACL' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PNA' ,'ANA' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PEC' ,'AEC' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMOTHR' ,'AOTHR' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PFE' ,'AFE' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PAL' ,'AAL' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PSI' ,'ASI' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PTI' ,'ATI' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PCA' ,'ACA' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMG' ,'AMG' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PK' ,'AK' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMN' ,'AMN' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PH2O' ,'AH2O' ,'FINE' ,1. ,'UNIT','a', \n \n ! Coarse-Mode Inorganic Ions Scaling \n 'EVERYWHERE', 'ALL' ,'PMC' ,'ACORS' ,'COARSE',0.99675,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMC' ,'ASO4' ,'COARSE',0.001 ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMC' ,'ANO3' ,'COARSE',0.00048,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMC' ,'ACL' ,'COARSE',0.00145,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMC' ,'AH2O' ,'COARSE',0.00032,'UNIT','a', \n\n ! Fine-Mode Primary Organic Aerosol Scaling\n ! --> Nonvolatile POA\n 'EVERYWHERE', 'ALL' ,'POC' ,'APOC' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'APNCOM' ,'FINE',0. ,'MASS','a', \n ! --> Semivolatile POA (see CMAQ User's Guide Appendix B.2.2.1)\n 'EVERYWHERE', 'ALL' ,'POC' ,'VSVPO1' ,'GAS' ,0.045,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'VSVPO1' ,'GAS' ,0.045,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'POC' ,'VSVPO2' ,'GAS' ,0.14 ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'VSVPO2' ,'GAS' ,0.14 ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'POC' ,'VSVPO3' ,'GAS' ,0.18 ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'VSVPO3' ,'GAS' ,0.18 ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'POC' ,'VIVPO1' ,'GAS' ,0.50 ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'VIVPO1' ,'GAS' ,0.50 ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'POC' ,'ALVPO1' ,'FINE',0.09 ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'ALVPO1' ,'FINE',0.09 ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'POC' ,'ASVPO1' ,'FINE',0.045,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'ASVPO1' ,'FINE',0.045,'MASS','a', \n \n ! pcSOA is a CMAQ species introduced to account for missing pathways for SOA\n ! formation from combustion sources. It accounts for IVOC oxidation as well as \n ! other phenomena (Murphy et al., ACP, 2017). It was parameterized based on data\n ! primarily from Los Angeles, where vehicle exhaust continues to dominate.\n 'EVERYWHERE', 'ALL' ,'POC' ,'PCVOC' ,'GAS' ,6.579,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'PCVOC' ,'GAS' ,6.579,'MASS','a', \n\n ! However, the added pcSOA is probably inappropriate for Fire sources, especially\n ! in its current configuration. This pathway should be zeroed out for all fire\n ! and wood-burning related sources.\n 'EVERYWHERE', 'PT_FIRES' ,'ALL' ,'PCVOC' ,'GAS' ,0.0 ,'MASS','o', \n 'EVERYWHERE', 'PT_RXFIRES' ,'ALL' ,'PCVOC' ,'GAS' ,0.0 ,'MASS','o', \n 'EVERYWHERE', 'PT_WILDFIRES' ,'ALL' ,'PCVOC' ,'GAS' ,0.0 ,'MASS','o', \n 'EVERYWHERE', 'PT_AGFIRES' ,'ALL' ,'PCVOC' ,'GAS' ,0.0 ,'MASS','o', \n 'EVERYWHERE', 'PT_OTHFIRES' ,'ALL' ,'PCVOC' ,'GAS' ,0.0 ,'MASS','o', \n 'EVERYWHERE', 'PT_FIRES_MXCA','ALL' ,'PCVOC' ,'GAS' ,0.0 ,'MASS','o', \n 'EVERYWHERE', 'GR_RES_FIRES' ,'ALL' ,'PCVOC' ,'GAS' ,0.0 ,'MASS','o', \n \n ! Wind-Blown Dust and Sea Spray Scaling\n ! Fine Components\n 'EVERYWHERE', 'ALL' ,'PMFINE_LVPO1','ALVPO1' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_LVOO1','ALVOO1' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_SO4' ,'ASO4' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_NO3' ,'ANO3' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_CL' ,'ACL' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_NH4' ,'ANH4' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_NA' ,'ANA' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_CA' ,'ACA' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_MG' ,'AMG' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_K' ,'AK' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_FE' ,'AFE' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_AL' ,'AAL' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_SI' ,'ASI' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_TI' ,'ATI' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_MN' ,'AMN' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_H2O' ,'AH2O' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_OTHR' ,'AOTHR' ,'FINE',1. ,'UNIT','a', \n\n ! :Scaling of Fine-Mode POA from Wind-Blown Dust or Sea Spray. Either the \n ! :Nonvolatile POA should be propagated to the transport model, or the Low \n ! :Volatility POA should be propagated, not both.\n\n ! Wind-Blown Dust and Sea Spray Scaling\n ! Coarse Components \n 'EVERYWHERE', 'ALL' ,'PMCOARSE_SO4','ASO4' ,'COARSE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMCOARSE_NO3','ANO3' ,'COARSE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMCOARSE_CL' ,'ACL' ,'COARSE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMCOARSE_H2O','AH2O' ,'COARSE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMCOARSE_SOIL','ASOIL' ,'COARSE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMCOARSE_SEACAT','ASEACAT' ,'COARSE',1. ,'UNIT','a', \n \n/\n\n" }, { "path": "CCTM/src/MECHS/cb6r3_ae7_aq/CSQY_DATA_cb6r3_ae7_aq", "content": "Table for Mechanism = CB6R3_AE7_AQ \nNPHOTAB = 32\n!Individual rates listed below:\nNO2_IUPAC10 \nO3_O3P_IUPAC10 \nO3_O1D_IUPAC10 \nH2O2_IUPAC10 \nNO3NO2_06 \nNO3NO_06 \nN2O5_IUPAC10 \nHONO_IUPAC10 \nHNO3_IUPAC10 \nPNA_IUPAC10 \nPAN_IUPAC10 \nMEPX_IUPAC10 \nNTR_IUPAC10 \nFORM_R_IUPAC10 \nFORM_M_IUPAC10 \nALD2_R_IUPAC10 \nALDX_R_IUPAC10 \nGLYD_IUPAC10 \nGLY_R_IUPAC10 \nMGLY_IUPAC10 \nKET_IUPAC10 \nACET_IUPAC10 \nISPD \nHPALD \nCL2_IUPAC04 \nHOCL_IUPAC04 \nFMCL_IUPAC04 \nCLNO2_IUPAC13 \nCLONO2_1 \nCLONO2_2 \nIC3ONO2 \nACRO_09 \nNTEMP = 6\n! I TEMP( I ) K\n 1 210.00\n 2 230.00\n 3 250.00\n 4 270.00\n 5 290.00\n 6 310.00\n! Wavelength and Photolysis Rate Parameters for CMAQ In-Line Photolysis\n! calculation . The values are determined by averaging technique over the below\n! number of wavelength bins. The technique employs an approach used by the FASTJX\n! versions 6 and 7.\n!References:\n! 1) Bian, H. S. and Prather, M. J.: Fast-J2: accurate simulation of stratospheric\n! photolysis in global chemical models, J. Atmos. Chem., 41, 281-296\n doi:10.1023/A:1014980619462, 2002.\n! 2) Hsu, J. and Prather, M. J.: Stratospheric variability and tropospheric ozone,\n! J. Geophys. Res., 114, D06102, doi:10.1029/2008JD010942, 2009.\n! 3) Prather, M. J.: Fast-JX versions and utilities, available at:\n! http://www.ess.uci.edu/researchgrp/prather/scholar_software/fast-jx\n! (last accessed: 24 January 2014), 2014.\n! Wave bands and Solar Flux\n! \nN_INLINE_BAND = 7\n! I, START_WL_BIN(nm), EFFECT_WL_BIN_(nm), END_WL_BIN_(nm), photon_flux(cm-2*s-1), \n 1, 291.000, 294.590, 298.300, 5.8828E+14, \n 2, 298.300, 303.151, 307.500, 7.6354E+14, \n 3, 307.500, 310.007, 312.500, 5.0412E+14, \n 4, 312.500, 316.434, 320.300, 8.9628E+14, \n 5, 320.300, 333.076, 345.000, 3.8537E+15, \n 6, 345.000, 381.997, 412.500, 1.5457E+16, \n 7, 412.500, 607.723, 850.000, 2.1307E+17, \n!... CS = absorption cross sections averaged over UCI Solar Flux\n!... QY = quantum yields averaged over UCI Solar Flux\n!... EQY = eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n!PHOTAB QUANTITY TEMP WBIN( 1) WBIN( 2) WBIN( 3) WBIN( 4) WBIN( 5) WBIN( 6) WBIN( 7)\nNO2_IUPAC10 CS 210.000 9.420958E-20 1.354622E-19 1.774391E-19 2.174503E-19 3.547179E-19 5.767915E-19 3.786790E-21\nNO2_IUPAC10 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 7.963594E-01 4.393946E-02\nNO2_IUPAC10 CS 230.000 9.434513E-20 1.353973E-19 1.770686E-19 2.162921E-19 3.512878E-19 5.752929E-19 3.777024E-21\nNO2_IUPAC10 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 7.963594E-01 4.393946E-02\nNO2_IUPAC10 CS 250.000 9.461621E-20 1.352675E-19 1.763276E-19 2.139758E-19 3.444275E-19 5.722957E-19 3.757493E-21\nNO2_IUPAC10 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 7.971660E-01 4.545939E-02\nNO2_IUPAC10 CS 270.000 9.488729E-20 1.351377E-19 1.755867E-19 2.116595E-19 3.375671E-19 5.692984E-19 3.737961E-21\nNO2_IUPAC10 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 8.052323E-01 6.065865E-02\nNO2_IUPAC10 CS 290.000 9.515838E-20 1.350079E-19 1.748457E-19 2.093432E-19 3.307068E-19 5.663012E-19 3.718430E-21\nNO2_IUPAC10 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 8.132986E-01 7.585791E-02\nNO2_IUPAC10 CS 310.000 9.521259E-20 1.349819E-19 1.746975E-19 2.088799E-19 3.293347E-19 5.657017E-19 3.714523E-21\nNO2_IUPAC10 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 8.165251E-01 8.193760E-02\nO3_O3P_IUPAC10 CS 210.000 8.051318E-19 2.408910E-19 9.055385E-20 3.615927E-20 4.571664E-21 4.615212E-23 1.523765E-21\nO3_O3P_IUPAC10 EQY 210.000 1.000000E-01 1.027219E-01 4.447545E-01 8.027972E-01 8.946853E-01 9.211782E-01 9.999820E-01\nO3_O3P_IUPAC10 CS 230.000 8.171868E-19 2.460948E-19 9.334247E-20 3.770529E-20 4.888574E-21 4.615212E-23 1.523765E-21\nO3_O3P_IUPAC10 EQY 230.000 1.000000E-01 1.027219E-01 4.402074E-01 8.051998E-01 8.946853E-01 9.211782E-01 9.999820E-01\nO3_O3P_IUPAC10 CS 250.000 8.372787E-19 2.547678E-19 9.799016E-20 4.028199E-20 5.416759E-21 4.615212E-23 1.523765E-21\nO3_O3P_IUPAC10 EQY 250.000 1.000000E-01 1.027219E-01 4.327254E-01 8.061814E-01 8.946853E-01 9.211782E-01 9.999820E-01\nO3_O3P_IUPAC10 CS 270.000 8.573704E-19 2.634407E-19 1.026379E-19 4.285869E-20 5.944944E-21 4.615212E-23 1.523765E-21\nO3_O3P_IUPAC10 EQY 270.000 1.000000E-01 1.027219E-01 4.200289E-01 8.006186E-01 8.946853E-01 9.211782E-01 9.999820E-01\nO3_O3P_IUPAC10 CS 290.000 8.774622E-19 2.721137E-19 1.072856E-19 4.543539E-20 6.473128E-21 4.615212E-23 1.523765E-21\nO3_O3P_IUPAC10 EQY 290.000 1.000000E-01 1.027219E-01 3.979119E-01 7.767363E-01 8.946853E-01 9.211782E-01 9.999820E-01\nO3_O3P_IUPAC10 CS 310.000 8.804761E-19 2.734146E-19 1.079827E-19 4.582189E-20 6.552356E-21 4.615212E-23 1.523765E-21\nO3_O3P_IUPAC10 EQY 310.000 1.000000E-01 1.027219E-01 3.582713E-01 7.092118E-01 8.946853E-01 9.211782E-01 9.999820E-01\nO3_O1D_IUPAC10 CS 210.000 8.051318E-19 2.408910E-19 9.055385E-20 3.615927E-20 4.571664E-21 4.615212E-23 1.523765E-21\nO3_O1D_IUPAC10 EQY 210.000 9.000000E-01 8.972781E-01 5.552455E-01 1.972028E-01 1.053147E-01 7.882178E-02 1.800060E-05\nO3_O1D_IUPAC10 CS 230.000 8.171868E-19 2.460948E-19 9.334247E-20 3.770529E-20 4.888574E-21 4.615212E-23 1.523765E-21\nO3_O1D_IUPAC10 EQY 230.000 9.000000E-01 8.972781E-01 5.597926E-01 1.948002E-01 1.053147E-01 7.882178E-02 1.800060E-05\nO3_O1D_IUPAC10 CS 250.000 8.372787E-19 2.547678E-19 9.799016E-20 4.028199E-20 5.416759E-21 4.615212E-23 1.523765E-21\nO3_O1D_IUPAC10 EQY 250.000 9.000000E-01 8.972781E-01 5.672746E-01 1.938186E-01 1.053147E-01 7.882178E-02 1.800060E-05\nO3_O1D_IUPAC10 CS 270.000 8.573704E-19 2.634407E-19 1.026379E-19 4.285869E-20 5.944944E-21 4.615212E-23 1.523765E-21\nO3_O1D_IUPAC10 EQY 270.000 9.000000E-01 8.972781E-01 5.799711E-01 1.993814E-01 1.053147E-01 7.882178E-02 1.800060E-05\nO3_O1D_IUPAC10 CS 290.000 8.774622E-19 2.721137E-19 1.072856E-19 4.543539E-20 6.473128E-21 4.615212E-23 1.523765E-21\nO3_O1D_IUPAC10 EQY 290.000 9.000000E-01 8.972781E-01 6.020881E-01 2.232637E-01 1.053147E-01 7.882178E-02 1.800060E-05\nO3_O1D_IUPAC10 CS 310.000 8.804761E-19 2.734146E-19 1.079827E-19 4.582189E-20 6.552356E-21 4.615212E-23 1.523765E-21\nO3_O1D_IUPAC10 EQY 310.000 9.000000E-01 8.972781E-01 6.417287E-01 2.907882E-01 1.053147E-01 7.882178E-02 1.800060E-05\nH2O2_IUPAC10 CS 210.000 9.663063E-21 5.877752E-21 3.837687E-21 2.660469E-21 1.015675E-21 5.105271E-23 0.000000E+00\nH2O2_IUPAC10 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.986846E-01 0.000000E+00\nH2O2_IUPAC10 CS 230.000 9.802651E-21 5.987925E-21 3.927030E-21 2.734720E-21 1.056133E-21 5.105271E-23 0.000000E+00\nH2O2_IUPAC10 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.986846E-01 0.000000E+00\nH2O2_IUPAC10 CS 250.000 9.991126E-21 6.136684E-21 4.047665E-21 2.834977E-21 1.110760E-21 5.105271E-23 0.000000E+00\nH2O2_IUPAC10 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.986846E-01 0.000000E+00\nH2O2_IUPAC10 CS 270.000 1.023066E-20 6.325741E-21 4.200981E-21 2.962393E-21 1.180187E-21 5.105271E-23 0.000000E+00\nH2O2_IUPAC10 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.986846E-01 0.000000E+00\nH2O2_IUPAC10 CS 290.000 1.052111E-20 6.554984E-21 4.386883E-21 3.116892E-21 1.264370E-21 5.105271E-23 0.000000E+00\nH2O2_IUPAC10 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.986846E-01 0.000000E+00\nH2O2_IUPAC10 CS 310.000 1.086042E-20 6.822793E-21 4.604061E-21 3.297382E-21 1.362715E-21 5.105271E-23 0.000000E+00\nH2O2_IUPAC10 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.986846E-01 0.000000E+00\nNO3NO2_06 CS 210.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 5.262113E-21 1.613590E-18\nNO3NO2_06 EQY 210.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00 5.942736E-01\nNO3NO2_06 CS 230.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.993950E-21 1.531360E-18\nNO3NO2_06 EQY 230.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00 6.050572E-01\nNO3NO2_06 CS 250.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.713711E-21 1.445427E-18\nNO3NO2_06 EQY 250.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00 6.142171E-01\nNO3NO2_06 CS 270.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.425707E-21 1.357113E-18\nNO3NO2_06 EQY 270.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00 6.233770E-01\nNO3NO2_06 CS 290.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.133394E-21 1.267477E-18\nNO3NO2_06 EQY 290.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00 6.325368E-01\nNO3NO2_06 CS 310.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 3.839497E-21 1.177355E-18\nNO3NO2_06 EQY 310.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00 6.362008E-01\nNO3NO_06 CS 210.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 5.262113E-21 1.613590E-18\nNO3NO_06 EQY 210.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 8.130509E-02\nNO3NO_06 CS 230.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.993950E-21 1.531360E-18\nNO3NO_06 EQY 230.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 8.048424E-02\nNO3NO_06 CS 250.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.713711E-21 1.445427E-18\nNO3NO_06 EQY 250.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 8.024673E-02\nNO3NO_06 CS 270.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.425707E-21 1.357113E-18\nNO3NO_06 EQY 270.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 8.000923E-02\nNO3NO_06 CS 290.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.133394E-21 1.267477E-18\nNO3NO_06 EQY 290.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 7.977173E-02\nNO3NO_06 CS 310.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 3.839497E-21 1.177355E-18\nNO3NO_06 EQY 310.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 7.967671E-02\nN2O5_IUPAC10 CS 210.000 5.286138E-20 3.282404E-20 2.191359E-20 1.511474E-20 6.060293E-21 6.152397E-22 0.000000E+00\nN2O5_IUPAC10 EQY 210.000 9.185266E-01 9.975538E-01 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nN2O5_IUPAC10 CS 230.000 5.286896E-20 3.282982E-20 2.191831E-20 1.511860E-20 6.062690E-21 6.157666E-22 0.000000E+00\nN2O5_IUPAC10 EQY 230.000 9.185266E-01 9.975538E-01 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nN2O5_IUPAC10 CS 250.000 5.287533E-20 3.283467E-20 2.192227E-20 1.512185E-20 6.064704E-21 6.162096E-22 0.000000E+00\nN2O5_IUPAC10 EQY 250.000 9.185266E-01 9.975538E-01 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nN2O5_IUPAC10 CS 270.000 5.288076E-20 3.283881E-20 2.192564E-20 1.512461E-20 6.066420E-21 6.165872E-22 0.000000E+00\nN2O5_IUPAC10 EQY 270.000 9.185266E-01 9.975538E-01 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nN2O5_IUPAC10 CS 290.000 5.288543E-20 3.284238E-20 2.192855E-20 1.512700E-20 6.067900E-21 6.169129E-22 0.000000E+00\nN2O5_IUPAC10 EQY 290.000 9.185266E-01 9.975538E-01 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nN2O5_IUPAC10 CS 310.000 5.288754E-20 3.284398E-20 2.192985E-20 1.512807E-20 6.068566E-21 6.170595E-22 0.000000E+00\nN2O5_IUPAC10 EQY 310.000 9.185266E-01 9.975538E-01 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHONO_IUPAC10 CS 210.000 1.874562E-20 6.161052E-21 1.172420E-20 2.303942E-20 8.731945E-20 7.564806E-20 0.000000E+00\nHONO_IUPAC10 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.999840E-01 0.000000E+00\nHONO_IUPAC10 CS 230.000 1.874562E-20 6.161052E-21 1.172420E-20 2.303942E-20 8.731945E-20 7.564806E-20 0.000000E+00\nHONO_IUPAC10 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.999840E-01 0.000000E+00\nHONO_IUPAC10 CS 250.000 1.874562E-20 6.161052E-21 1.172420E-20 2.303942E-20 8.731945E-20 7.564806E-20 0.000000E+00\nHONO_IUPAC10 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.999840E-01 0.000000E+00\nHONO_IUPAC10 CS 270.000 1.874562E-20 6.161052E-21 1.172420E-20 2.303942E-20 8.731945E-20 7.564806E-20 0.000000E+00\nHONO_IUPAC10 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.999840E-01 0.000000E+00\nHONO_IUPAC10 CS 290.000 1.874562E-20 6.161052E-21 1.172420E-20 2.303942E-20 8.731945E-20 7.564806E-20 0.000000E+00\nHONO_IUPAC10 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.999840E-01 0.000000E+00\nHONO_IUPAC10 CS 310.000 1.874562E-20 6.161052E-21 1.172420E-20 2.303942E-20 8.731945E-20 7.564806E-20 0.000000E+00\nHONO_IUPAC10 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.999840E-01 0.000000E+00\nHNO3_IUPAC10 CS 210.000 4.166234E-21 1.877995E-21 7.805607E-22 3.243519E-22 2.838103E-23 3.550938E-25 0.000000E+00\nHNO3_IUPAC10 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.983369E-01 0.000000E+00\nHNO3_IUPAC10 CS 230.000 4.388597E-21 2.011394E-21 8.503601E-22 3.623056E-22 3.431827E-23 3.587909E-25 0.000000E+00\nHNO3_IUPAC10 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.983369E-01 0.000000E+00\nHNO3_IUPAC10 CS 250.000 4.622829E-21 2.154269E-21 9.264013E-22 4.047005E-22 4.149756E-23 3.625265E-25 0.000000E+00\nHNO3_IUPAC10 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.983369E-01 0.000000E+00\nHNO3_IUPAC10 CS 270.000 4.869561E-21 2.307292E-21 1.009242E-21 4.520562E-22 5.017875E-23 3.663011E-25 0.000000E+00\nHNO3_IUPAC10 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.983369E-01 0.000000E+00\nHNO3_IUPAC10 CS 290.000 5.129463E-21 2.471185E-21 1.099491E-21 5.049532E-22 6.067601E-23 3.701149E-25 0.000000E+00\nHNO3_IUPAC10 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.983369E-01 0.000000E+00\nHNO3_IUPAC10 CS 310.000 5.403236E-21 2.646719E-21 1.197810E-21 5.640399E-22 7.336928E-23 3.739684E-25 0.000000E+00\nHNO3_IUPAC10 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.983369E-01 0.000000E+00\nPNA_IUPAC10 CS 210.000 2.768231E-20 1.086640E-20 4.753695E-21 2.705257E-21 3.427064E-22 0.000000E+00 0.000000E+00\nPNA_IUPAC10 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.993055E-01 0.000000E+00 0.000000E+00\nPNA_IUPAC10 CS 230.000 2.825610E-20 1.126199E-20 5.012977E-21 2.902247E-21 3.888219E-22 0.000000E+00 0.000000E+00\nPNA_IUPAC10 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.993055E-01 0.000000E+00 0.000000E+00\nPNA_IUPAC10 CS 250.000 2.908251E-20 1.183175E-20 5.386413E-21 3.185963E-21 4.552405E-22 0.000000E+00 0.000000E+00\nPNA_IUPAC10 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.993055E-01 0.000000E+00 0.000000E+00\nPNA_IUPAC10 CS 270.000 3.019241E-20 1.259695E-20 5.887948E-21 3.567003E-21 5.444426E-22 0.000000E+00 0.000000E+00\nPNA_IUPAC10 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.993055E-01 0.000000E+00 0.000000E+00\nPNA_IUPAC10 CS 290.000 3.160436E-20 1.357040E-20 6.525974E-21 4.051742E-21 6.579210E-22 0.000000E+00 0.000000E+00\nPNA_IUPAC10 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.993055E-01 0.000000E+00 0.000000E+00\nPNA_IUPAC10 CS 310.000 3.332532E-20 1.475689E-20 7.303630E-21 4.642564E-21 7.962334E-22 0.000000E+00 0.000000E+00\nPNA_IUPAC10 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.993055E-01 0.000000E+00 0.000000E+00\nPAN_IUPAC10 CS 210.000 1.945595E-21 7.375681E-22 3.339314E-22 1.711848E-22 3.676151E-23 1.420572E-24 0.000000E+00\nPAN_IUPAC10 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.982885E-01 0.000000E+00\nPAN_IUPAC10 CS 230.000 2.279872E-21 8.774045E-22 4.009705E-22 2.076227E-22 4.614925E-23 1.435982E-24 0.000000E+00\nPAN_IUPAC10 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.982885E-01 0.000000E+00\nPAN_IUPAC10 CS 250.000 2.671583E-21 1.043752E-21 4.814681E-22 2.518166E-22 5.793432E-23 1.451559E-24 0.000000E+00\nPAN_IUPAC10 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.982885E-01 0.000000E+00\nPAN_IUPAC10 CS 270.000 3.130594E-21 1.241639E-21 5.781261E-22 3.054176E-22 7.272892E-23 1.467305E-24 0.000000E+00\nPAN_IUPAC10 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.982885E-01 0.000000E+00\nPAN_IUPAC10 CS 290.000 3.668470E-21 1.477042E-21 6.941890E-22 3.704279E-22 9.130162E-23 1.483222E-24 0.000000E+00\nPAN_IUPAC10 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.982885E-01 0.000000E+00\nPAN_IUPAC10 CS 310.000 4.298759E-21 1.757076E-21 8.335523E-22 4.492761E-22 1.146172E-22 1.499311E-24 0.000000E+00\nPAN_IUPAC10 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.982885E-01 0.000000E+00\nMEPX_IUPAC10 CS 210.000 6.280529E-21 4.060546E-21 2.741565E-21 1.980587E-21 8.228210E-22 5.779768E-23 0.000000E+00\nMEPX_IUPAC10 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.995850E-01 0.000000E+00\nMEPX_IUPAC10 CS 230.000 6.280529E-21 4.060546E-21 2.741565E-21 1.980587E-21 8.228210E-22 5.779768E-23 0.000000E+00\nMEPX_IUPAC10 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.995850E-01 0.000000E+00\nMEPX_IUPAC10 CS 250.000 6.280529E-21 4.060546E-21 2.741565E-21 1.980587E-21 8.228210E-22 5.779768E-23 0.000000E+00\nMEPX_IUPAC10 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.995850E-01 0.000000E+00\nMEPX_IUPAC10 CS 270.000 6.280529E-21 4.060546E-21 2.741565E-21 1.980587E-21 8.228210E-22 5.779768E-23 0.000000E+00\nMEPX_IUPAC10 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.995850E-01 0.000000E+00\nMEPX_IUPAC10 CS 290.000 6.280529E-21 4.060546E-21 2.741565E-21 1.980587E-21 8.228210E-22 5.779768E-23 0.000000E+00\nMEPX_IUPAC10 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.995850E-01 0.000000E+00\nMEPX_IUPAC10 CS 310.000 6.280529E-21 4.060546E-21 2.741565E-21 1.980587E-21 8.228210E-22 5.779768E-23 0.000000E+00\nMEPX_IUPAC10 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.995850E-01 0.000000E+00\nNTR_IUPAC10 CS 210.000 1.076218E-20 5.464268E-21 2.614017E-21 1.242460E-21 1.566121E-22 1.627988E-24 0.000000E+00\nNTR_IUPAC10 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.998643E-01 0.000000E+00\nNTR_IUPAC10 CS 230.000 1.076218E-20 5.464268E-21 2.614017E-21 1.242460E-21 1.566121E-22 1.627988E-24 0.000000E+00\nNTR_IUPAC10 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.998643E-01 0.000000E+00\nNTR_IUPAC10 CS 250.000 1.128924E-20 5.792141E-21 2.800412E-21 1.353672E-21 1.751516E-22 1.627988E-24 0.000000E+00\nNTR_IUPAC10 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.998643E-01 0.000000E+00\nNTR_IUPAC10 CS 270.000 1.242207E-20 6.508089E-21 3.214023E-21 1.606851E-21 2.190747E-22 1.627988E-24 0.000000E+00\nNTR_IUPAC10 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.998643E-01 0.000000E+00\nNTR_IUPAC10 CS 290.000 1.366857E-20 7.312533E-21 3.688722E-21 1.907382E-21 2.740124E-22 1.627988E-24 0.000000E+00\nNTR_IUPAC10 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.998643E-01 0.000000E+00\nNTR_IUPAC10 CS 310.000 1.504015E-20 8.216412E-21 4.233534E-21 2.264122E-21 3.427270E-22 1.627988E-24 0.000000E+00\nNTR_IUPAC10 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.998643E-01 0.000000E+00\nFORM_R_IUPAC10 CS 210.000 3.016736E-20 3.407197E-20 1.568985E-20 3.238252E-20 1.829643E-20 7.861401E-22 0.000000E+00\nFORM_R_IUPAC10 EQY 210.000 6.880879E-01 7.231423E-01 7.194253E-01 6.869270E-01 3.142517E-01 0.000000E+00 0.000000E+00\nFORM_R_IUPAC10 CS 230.000 3.013878E-20 3.406970E-20 1.568104E-20 3.240564E-20 1.830688E-20 7.856302E-22 0.000000E+00\nFORM_R_IUPAC10 EQY 230.000 6.880879E-01 7.231423E-01 7.194253E-01 6.869270E-01 3.142517E-01 0.000000E+00 0.000000E+00\nFORM_R_IUPAC10 CS 250.000 3.011020E-20 3.406742E-20 1.567224E-20 3.242876E-20 1.831733E-20 7.851202E-22 0.000000E+00\nFORM_R_IUPAC10 EQY 250.000 6.880879E-01 7.231423E-01 7.194253E-01 6.869270E-01 3.142517E-01 0.000000E+00 0.000000E+00\nFORM_R_IUPAC10 CS 270.000 3.008162E-20 3.406515E-20 1.566343E-20 3.245189E-20 1.832778E-20 7.846103E-22 0.000000E+00\nFORM_R_IUPAC10 EQY 270.000 6.880879E-01 7.231423E-01 7.194253E-01 6.869270E-01 3.142517E-01 0.000000E+00 0.000000E+00\nFORM_R_IUPAC10 CS 290.000 3.005305E-20 3.406287E-20 1.565463E-20 3.247501E-20 1.833823E-20 7.841004E-22 0.000000E+00\nFORM_R_IUPAC10 EQY 290.000 6.880879E-01 7.231423E-01 7.194253E-01 6.869270E-01 3.142517E-01 0.000000E+00 0.000000E+00\nFORM_R_IUPAC10 CS 310.000 3.003875E-20 3.406174E-20 1.565022E-20 3.248657E-20 1.834346E-20 7.838454E-22 0.000000E+00\nFORM_R_IUPAC10 EQY 310.000 6.880879E-01 7.231423E-01 7.194253E-01 6.869270E-01 3.142517E-01 0.000000E+00 0.000000E+00\nFORM_M_IUPAC10 CS 210.000 3.016736E-20 3.407197E-20 1.568985E-20 3.238252E-20 1.829643E-20 7.858541E-22 0.000000E+00\nFORM_M_IUPAC10 EQY 210.000 2.921963E-01 2.751352E-01 2.807963E-01 3.135067E-01 5.269461E-01 2.222071E-01 0.000000E+00\nFORM_M_IUPAC10 CS 230.000 3.013878E-20 3.406970E-20 1.568104E-20 3.240564E-20 1.830688E-20 7.853445E-22 0.000000E+00\nFORM_M_IUPAC10 EQY 230.000 2.921963E-01 2.751352E-01 2.807963E-01 3.135067E-01 5.229684E-01 2.135576E-01 0.000000E+00\nFORM_M_IUPAC10 CS 250.000 3.011020E-20 3.406742E-20 1.567224E-20 3.242876E-20 1.831733E-20 7.848347E-22 0.000000E+00\nFORM_M_IUPAC10 EQY 250.000 2.921963E-01 2.751352E-01 2.807963E-01 3.135067E-01 5.147454E-01 1.978278E-01 0.000000E+00\nFORM_M_IUPAC10 CS 270.000 3.008162E-20 3.406515E-20 1.566343E-20 3.245189E-20 1.832778E-20 7.843250E-22 0.000000E+00\nFORM_M_IUPAC10 EQY 270.000 2.921963E-01 2.751352E-01 2.807963E-01 3.135067E-01 5.063055E-01 1.840914E-01 0.000000E+00\nFORM_M_IUPAC10 CS 290.000 3.005305E-20 3.406287E-20 1.565463E-20 3.247501E-20 1.833823E-20 7.838152E-22 0.000000E+00\nFORM_M_IUPAC10 EQY 290.000 2.921963E-01 2.751352E-01 2.807963E-01 3.135067E-01 4.976940E-01 1.720293E-01 0.000000E+00\nFORM_M_IUPAC10 CS 310.000 3.003875E-20 3.406174E-20 1.565022E-20 3.248657E-20 1.834346E-20 7.835604E-22 0.000000E+00\nFORM_M_IUPAC10 EQY 310.000 2.921963E-01 2.751352E-01 2.807963E-01 3.135067E-01 4.933168E-01 1.665162E-01 0.000000E+00\nALD2_R_IUPAC10 CS 210.000 4.459135E-20 3.773280E-20 3.017348E-20 2.156331E-20 3.903332E-21 0.000000E+00 0.000000E+00\nALD2_R_IUPAC10 EQY 210.000 4.899745E-01 3.998092E-01 2.956010E-01 1.673639E-01 5.199931E-02 0.000000E+00 0.000000E+00\nALD2_R_IUPAC10 CS 230.000 4.459135E-20 3.773280E-20 3.017348E-20 2.156331E-20 3.903332E-21 0.000000E+00 0.000000E+00\nALD2_R_IUPAC10 EQY 230.000 4.899745E-01 3.998092E-01 2.956010E-01 1.673639E-01 5.199931E-02 0.000000E+00 0.000000E+00\nALD2_R_IUPAC10 CS 250.000 4.459135E-20 3.773280E-20 3.017348E-20 2.156331E-20 3.903332E-21 0.000000E+00 0.000000E+00\nALD2_R_IUPAC10 EQY 250.000 4.899745E-01 3.998092E-01 2.956010E-01 1.673639E-01 5.199931E-02 0.000000E+00 0.000000E+00\nALD2_R_IUPAC10 CS 270.000 4.459135E-20 3.773280E-20 3.017348E-20 2.156331E-20 3.903332E-21 0.000000E+00 0.000000E+00\nALD2_R_IUPAC10 EQY 270.000 4.899745E-01 3.998092E-01 2.956010E-01 1.673639E-01 5.199931E-02 0.000000E+00 0.000000E+00\nALD2_R_IUPAC10 CS 290.000 4.459135E-20 3.773280E-20 3.017348E-20 2.156331E-20 3.903332E-21 0.000000E+00 0.000000E+00\nALD2_R_IUPAC10 EQY 290.000 4.899745E-01 3.998092E-01 2.956010E-01 1.673639E-01 5.199931E-02 0.000000E+00 0.000000E+00\nALD2_R_IUPAC10 CS 310.000 4.459135E-20 3.773280E-20 3.017348E-20 2.156331E-20 3.903332E-21 0.000000E+00 0.000000E+00\nALD2_R_IUPAC10 EQY 310.000 4.899745E-01 3.998092E-01 2.956010E-01 1.673639E-01 5.199931E-02 0.000000E+00 0.000000E+00\nALDX_R_IUPAC10 CS 210.000 3.166360E-20 4.710848E-20 3.611882E-20 2.543345E-20 6.159184E-21 0.000000E+00 0.000000E+00\nALDX_R_IUPAC10 EQY 210.000 7.734550E-01 6.582294E-01 3.752134E-01 2.049571E-01 5.996180E-02 0.000000E+00 0.000000E+00\nALDX_R_IUPAC10 CS 230.000 3.166360E-20 4.710848E-20 3.611882E-20 2.543345E-20 6.159184E-21 0.000000E+00 0.000000E+00\nALDX_R_IUPAC10 EQY 230.000 7.734550E-01 6.582294E-01 3.752134E-01 2.049571E-01 5.996180E-02 0.000000E+00 0.000000E+00\nALDX_R_IUPAC10 CS 250.000 3.166360E-20 4.710848E-20 3.611882E-20 2.543345E-20 6.159184E-21 0.000000E+00 0.000000E+00\nALDX_R_IUPAC10 EQY 250.000 7.734550E-01 6.582294E-01 3.752134E-01 2.049571E-01 5.996180E-02 0.000000E+00 0.000000E+00\nALDX_R_IUPAC10 CS 270.000 3.166360E-20 4.710848E-20 3.611882E-20 2.543345E-20 6.159184E-21 0.000000E+00 0.000000E+00\nALDX_R_IUPAC10 EQY 270.000 7.734550E-01 6.582294E-01 3.752134E-01 2.049571E-01 5.996180E-02 0.000000E+00 0.000000E+00\nALDX_R_IUPAC10 CS 290.000 3.166360E-20 4.710848E-20 3.611882E-20 2.543345E-20 6.159184E-21 0.000000E+00 0.000000E+00\nALDX_R_IUPAC10 EQY 290.000 7.734550E-01 6.582294E-01 3.752134E-01 2.049571E-01 5.996180E-02 0.000000E+00 0.000000E+00\nALDX_R_IUPAC10 CS 310.000 3.166360E-20 4.710848E-20 3.611882E-20 2.543345E-20 6.159184E-21 0.000000E+00 0.000000E+00\nALDX_R_IUPAC10 EQY 310.000 7.734550E-01 6.582294E-01 3.752134E-01 2.049571E-01 5.996180E-02 0.000000E+00 0.000000E+00\nGLYD_IUPAC10 CS 210.000 3.704782E-20 2.277373E-20 1.257586E-20 5.852344E-21 6.507965E-22 0.000000E+00 0.000000E+00\nGLYD_IUPAC10 EQY 210.000 7.500000E-01 7.500000E-01 7.500000E-01 7.500000E-01 7.500000E-01 0.000000E+00 0.000000E+00\nGLYD_IUPAC10 CS 230.000 3.704782E-20 2.277373E-20 1.257586E-20 5.852344E-21 6.507965E-22 0.000000E+00 0.000000E+00\nGLYD_IUPAC10 EQY 230.000 7.500000E-01 7.500000E-01 7.500000E-01 7.500000E-01 7.500000E-01 0.000000E+00 0.000000E+00\nGLYD_IUPAC10 CS 250.000 3.704782E-20 2.277373E-20 1.257586E-20 5.852344E-21 6.507965E-22 0.000000E+00 0.000000E+00\nGLYD_IUPAC10 EQY 250.000 7.500000E-01 7.500000E-01 7.500000E-01 7.500000E-01 7.500000E-01 0.000000E+00 0.000000E+00\nGLYD_IUPAC10 CS 270.000 3.704782E-20 2.277373E-20 1.257586E-20 5.852344E-21 6.507965E-22 0.000000E+00 0.000000E+00\nGLYD_IUPAC10 EQY 270.000 7.500000E-01 7.500000E-01 7.500000E-01 7.500000E-01 7.500000E-01 0.000000E+00 0.000000E+00\nGLYD_IUPAC10 CS 290.000 3.704782E-20 2.277373E-20 1.257586E-20 5.852344E-21 6.507965E-22 0.000000E+00 0.000000E+00\nGLYD_IUPAC10 EQY 290.000 7.500000E-01 7.500000E-01 7.500000E-01 7.500000E-01 7.500000E-01 0.000000E+00 0.000000E+00\nGLYD_IUPAC10 CS 310.000 3.704782E-20 2.277373E-20 1.257586E-20 5.852344E-21 6.507965E-22 0.000000E+00 0.000000E+00\nGLYD_IUPAC10 EQY 310.000 7.500000E-01 7.500000E-01 7.500000E-01 7.500000E-01 7.500000E-01 0.000000E+00 0.000000E+00\nGLY_R_IUPAC10 CS 210.000 3.790312E-20 3.572568E-20 3.193592E-20 2.574332E-20 1.107792E-20 2.757578E-20 1.066401E-20\nGLY_R_IUPAC10 EQY 210.000 9.967219E-01 9.926980E-01 9.859577E-01 9.761513E-01 9.177929E-01 1.356775E-01 5.195657E-17\nGLY_R_IUPAC10 CS 230.000 3.790312E-20 3.572568E-20 3.193592E-20 2.574332E-20 1.107792E-20 2.757578E-20 1.066401E-20\nGLY_R_IUPAC10 EQY 230.000 9.958482E-01 9.909940E-01 9.832090E-01 9.720629E-01 9.094443E-01 1.429276E-01 6.259819E-16\nGLY_R_IUPAC10 CS 250.000 3.790312E-20 3.572568E-20 3.193592E-20 2.574332E-20 1.107792E-20 2.757578E-20 1.066401E-20\nGLY_R_IUPAC10 EQY 250.000 9.949115E-01 9.892465E-01 9.804909E-01 9.681613E-01 9.022884E-01 1.502220E-01 1.248587E-09\nGLY_R_IUPAC10 CS 270.000 3.790312E-20 3.572568E-20 3.193592E-20 2.574332E-20 1.107792E-20 2.757578E-20 1.066401E-20\nGLY_R_IUPAC10 EQY 270.000 9.939302E-01 9.874880E-01 9.778448E-01 9.644851E-01 8.962001E-01 1.575783E-01 5.390683E-06\nGLY_R_IUPAC10 CS 290.000 3.790312E-20 3.572568E-20 3.193592E-20 2.574332E-20 1.107792E-20 2.757578E-20 1.066401E-20\nGLY_R_IUPAC10 EQY 290.000 9.929207E-01 9.857442E-01 9.752997E-01 9.610549E-01 8.910552E-01 1.649268E-01 7.041833E-04\nGLY_R_IUPAC10 CS 310.000 3.790312E-20 3.572568E-20 3.193592E-20 2.574332E-20 1.107792E-20 2.757578E-20 1.066401E-20\nGLY_R_IUPAC10 EQY 310.000 9.918970E-01 9.840348E-01 9.728748E-01 9.578785E-01 8.867379E-01 1.722405E-01 1.457921E-02\nMGLY_IUPAC10 CS 210.000 4.623980E-20 3.737641E-20 2.838188E-20 2.024261E-20 7.313774E-21 3.354496E-20 8.017686E-21\nMGLY_IUPAC10 EQY 210.000 9.424525E-01 9.055298E-01 8.638632E-01 8.161852E-01 6.723635E-01 1.057406E-01 2.062893E-02\nMGLY_IUPAC10 CS 230.000 4.623980E-20 3.737641E-20 2.838188E-20 2.024261E-20 7.313774E-21 3.354496E-20 8.017686E-21\nMGLY_IUPAC10 EQY 230.000 9.424612E-01 9.055434E-01 8.638818E-01 8.162095E-01 6.724034E-01 1.057492E-01 2.062893E-02\nMGLY_IUPAC10 CS 250.000 4.623980E-20 3.737641E-20 2.838188E-20 2.024261E-20 7.313774E-21 3.354496E-20 8.017686E-21\nMGLY_IUPAC10 EQY 250.000 9.424697E-01 9.055570E-01 8.639004E-01 8.162335E-01 6.724433E-01 1.057578E-01 2.062893E-02\nMGLY_IUPAC10 CS 270.000 4.623980E-20 3.737641E-20 2.838188E-20 2.024261E-20 7.313774E-21 3.354496E-20 8.017686E-21\nMGLY_IUPAC10 EQY 270.000 9.424782E-01 9.055706E-01 8.639192E-01 8.162577E-01 6.724831E-01 1.057665E-01 2.062893E-02\nMGLY_IUPAC10 CS 290.000 4.623980E-20 3.737641E-20 2.838188E-20 2.024261E-20 7.313774E-21 3.354496E-20 8.017686E-21\nMGLY_IUPAC10 EQY 290.000 9.424869E-01 9.055842E-01 8.639378E-01 8.162817E-01 6.725230E-01 1.057751E-01 2.062893E-02\nMGLY_IUPAC10 CS 310.000 4.623980E-20 3.737641E-20 2.838188E-20 2.024261E-20 7.313774E-21 3.354496E-20 8.017686E-21\nMGLY_IUPAC10 EQY 310.000 9.424955E-01 9.055978E-01 8.639566E-01 8.163059E-01 6.725629E-01 1.057837E-01 2.062893E-02\nKET_IUPAC10 CS 210.000 4.244734E-20 2.775264E-20 1.650076E-20 8.235885E-21 8.879242E-22 2.161979E-25 0.000000E+00\nKET_IUPAC10 EQY 210.000 3.557317E-01 2.281597E-01 9.456919E-02 4.449943E-02 1.703344E-02 2.980055E-03 0.000000E+00\nKET_IUPAC10 CS 230.000 4.244734E-20 2.775264E-20 1.650076E-20 8.235885E-21 8.879242E-22 2.161979E-25 0.000000E+00\nKET_IUPAC10 EQY 230.000 3.557317E-01 2.281597E-01 9.456919E-02 4.449943E-02 1.703344E-02 2.980055E-03 0.000000E+00\nKET_IUPAC10 CS 250.000 4.244734E-20 2.775264E-20 1.650076E-20 8.235885E-21 8.879242E-22 2.161979E-25 0.000000E+00\nKET_IUPAC10 EQY 250.000 3.557317E-01 2.281597E-01 9.456919E-02 4.449943E-02 1.703344E-02 2.980055E-03 0.000000E+00\nKET_IUPAC10 CS 270.000 4.244734E-20 2.775264E-20 1.650076E-20 8.235885E-21 8.879242E-22 2.161979E-25 0.000000E+00\nKET_IUPAC10 EQY 270.000 3.557317E-01 2.281597E-01 9.456919E-02 4.449943E-02 1.703344E-02 2.980055E-03 0.000000E+00\nKET_IUPAC10 CS 290.000 4.244734E-20 2.775264E-20 1.650076E-20 8.235885E-21 8.879242E-22 2.161979E-25 0.000000E+00\nKET_IUPAC10 EQY 290.000 3.557317E-01 2.281597E-01 9.456919E-02 4.449943E-02 1.703344E-02 2.980055E-03 0.000000E+00\nKET_IUPAC10 CS 310.000 4.244734E-20 2.775264E-20 1.650076E-20 8.235885E-21 8.879242E-22 2.161979E-25 0.000000E+00\nKET_IUPAC10 EQY 310.000 3.557317E-01 2.281597E-01 9.456919E-02 4.449943E-02 1.703344E-02 2.980055E-03 0.000000E+00\nACET_IUPAC10 CS 210.000 3.154020E-20 1.990274E-20 1.121114E-20 5.714158E-21 4.839526E-22 9.619963E-25 0.000000E+00\nACET_IUPAC10 EQY 210.000 3.142315E-01 9.508523E-02 1.347957E-02 2.101419E-03 4.774525E-05 2.883126E-03 0.000000E+00\nACET_IUPAC10 CS 230.000 3.210615E-20 2.065870E-20 1.200334E-20 6.223282E-21 5.288214E-22 9.615415E-25 0.000000E+00\nACET_IUPAC10 EQY 230.000 2.892200E-01 1.028149E-01 1.893153E-02 3.808953E-03 1.663003E-04 2.883126E-03 0.000000E+00\nACET_IUPAC10 CS 250.000 3.284215E-20 2.146998E-20 1.277972E-20 6.735570E-21 6.082958E-22 9.633595E-25 0.000000E+00\nACET_IUPAC10 EQY 250.000 2.868186E-01 1.209827E-01 2.841206E-02 7.388534E-03 7.029614E-04 2.883126E-03 0.000000E+00\nACET_IUPAC10 CS 270.000 3.374994E-20 2.230310E-20 1.348986E-20 7.221250E-21 7.267921E-22 9.679524E-25 0.000000E+00\nACET_IUPAC10 EQY 270.000 3.030808E-01 1.525401E-01 4.579334E-02 1.553840E-02 3.012870E-03 2.883126E-03 0.000000E+00\nACET_IUPAC10 CS 290.000 3.483127E-20 2.312459E-20 1.408336E-20 7.650557E-21 8.887266E-22 9.758227E-25 0.000000E+00\nACET_IUPAC10 EQY 290.000 3.373500E-01 2.015979E-01 7.683466E-02 3.310391E-02 1.071987E-02 2.883126E-03 0.000000E+00\nACET_IUPAC10 CS 310.000 3.608787E-20 2.390098E-20 1.450979E-20 7.993726E-21 1.098516E-21 9.874724E-25 0.000000E+00\nACET_IUPAC10 EQY 310.000 3.878387E-01 2.703615E-01 1.273605E-01 6.627605E-02 3.052155E-02 2.883126E-03 0.000000E+00\nISPD CS 210.000 2.840289E-20 4.154632E-20 5.213074E-20 6.122464E-20 6.678539E-20 1.408010E-20 0.000000E+00\nISPD EQY 210.000 5.009691E-02 5.009691E-02 5.009691E-02 5.009691E-02 5.009691E-02 5.009691E-02 0.000000E+00\nISPD CS 230.000 2.840289E-20 4.154632E-20 5.213074E-20 6.122464E-20 6.678539E-20 1.408010E-20 0.000000E+00\nISPD EQY 230.000 5.009691E-02 5.009691E-02 5.009691E-02 5.009691E-02 5.009691E-02 5.009691E-02 0.000000E+00\nISPD CS 250.000 2.840289E-20 4.154632E-20 5.213074E-20 6.122464E-20 6.678539E-20 1.408010E-20 0.000000E+00\nISPD EQY 250.000 5.009691E-02 5.009691E-02 5.009691E-02 5.009691E-02 5.009691E-02 5.009691E-02 0.000000E+00\nISPD CS 270.000 2.840289E-20 4.154632E-20 5.213074E-20 6.122464E-20 6.678539E-20 1.408010E-20 0.000000E+00\nISPD EQY 270.000 5.009691E-02 5.009691E-02 5.009691E-02 5.009691E-02 5.009691E-02 5.009691E-02 0.000000E+00\nISPD CS 290.000 2.840289E-20 4.154632E-20 5.213074E-20 6.122464E-20 6.678539E-20 1.408010E-20 0.000000E+00\nISPD EQY 290.000 5.009691E-02 5.009691E-02 5.009691E-02 5.009691E-02 5.009691E-02 5.009691E-02 0.000000E+00\nISPD CS 310.000 2.840289E-20 4.154632E-20 5.213074E-20 6.122464E-20 6.678539E-20 1.408010E-20 0.000000E+00\nISPD EQY 310.000 5.009691E-02 5.009691E-02 5.009691E-02 5.009691E-02 5.009691E-02 5.009691E-02 0.000000E+00\nHPALD CS 210.000 2.639069E-20 3.936243E-20 4.989643E-20 5.926228E-20 6.528440E-20 1.326810E-20 0.000000E+00\nHPALD EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHPALD CS 230.000 2.639069E-20 3.936243E-20 4.989643E-20 5.926228E-20 6.528440E-20 1.326810E-20 0.000000E+00\nHPALD EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHPALD CS 250.000 2.639069E-20 3.936243E-20 4.989643E-20 5.926228E-20 6.528440E-20 1.326810E-20 0.000000E+00\nHPALD EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHPALD CS 270.000 2.639069E-20 3.936243E-20 4.989643E-20 5.926228E-20 6.528440E-20 1.326810E-20 0.000000E+00\nHPALD EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHPALD CS 290.000 2.639069E-20 3.936243E-20 4.989643E-20 5.926228E-20 6.528440E-20 1.326810E-20 0.000000E+00\nHPALD EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHPALD CS 310.000 2.639069E-20 3.936243E-20 4.989643E-20 5.926228E-20 6.528440E-20 1.326810E-20 0.000000E+00\nHPALD EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCL2_IUPAC04 CS 210.000 8.459998E-20 1.387449E-19 1.859079E-19 2.232772E-19 2.484952E-19 6.038539E-20 6.788245E-22\nCL2_IUPAC04 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nCL2_IUPAC04 CS 230.000 8.524757E-20 1.389977E-19 1.856245E-19 2.224567E-19 2.471989E-19 6.124574E-20 6.788245E-22\nCL2_IUPAC04 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nCL2_IUPAC04 CS 250.000 8.601563E-20 1.392877E-19 1.852748E-19 2.214706E-19 2.456518E-19 6.228141E-20 6.788245E-22\nCL2_IUPAC04 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nCL2_IUPAC04 CS 270.000 8.688803E-20 1.396037E-19 1.848591E-19 2.203326E-19 2.438807E-19 6.347855E-20 6.788245E-22\nCL2_IUPAC04 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nCL2_IUPAC04 CS 290.000 8.784630E-20 1.399339E-19 1.843792E-19 2.190595E-19 2.419169E-19 6.481979E-20 6.788245E-22\nCL2_IUPAC04 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nCL2_IUPAC04 CS 310.000 8.835163E-20 1.401007E-19 1.841159E-19 2.183779E-19 2.408728E-19 6.553857E-20 6.788245E-22\nCL2_IUPAC04 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nHOCL_IUPAC04 CS 210.000 5.570117E-20 6.066934E-20 5.958161E-20 5.377945E-20 3.120855E-20 6.545254E-21 1.170137E-23\nHOCL_IUPAC04 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nHOCL_IUPAC04 CS 230.000 5.570117E-20 6.066934E-20 5.958161E-20 5.377945E-20 3.120855E-20 6.545254E-21 1.170137E-23\nHOCL_IUPAC04 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nHOCL_IUPAC04 CS 250.000 5.570117E-20 6.066934E-20 5.958161E-20 5.377945E-20 3.120855E-20 6.545254E-21 1.170137E-23\nHOCL_IUPAC04 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nHOCL_IUPAC04 CS 270.000 5.570117E-20 6.066934E-20 5.958161E-20 5.377945E-20 3.120855E-20 6.545254E-21 1.170137E-23\nHOCL_IUPAC04 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nHOCL_IUPAC04 CS 290.000 5.570117E-20 6.066934E-20 5.958161E-20 5.377945E-20 3.120855E-20 6.545254E-21 1.170137E-23\nHOCL_IUPAC04 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nHOCL_IUPAC04 CS 310.000 5.570117E-20 6.066934E-20 5.958161E-20 5.377945E-20 3.120855E-20 6.545254E-21 1.170137E-23\nHOCL_IUPAC04 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nFMCL_IUPAC04 CS 210.000 5.320050E-21 1.421323E-21 2.242342E-22 8.338288E-23 0.000000E+00 0.000000E+00 0.000000E+00\nFMCL_IUPAC04 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00\nFMCL_IUPAC04 CS 230.000 5.320050E-21 1.421323E-21 2.242342E-22 8.338288E-23 0.000000E+00 0.000000E+00 0.000000E+00\nFMCL_IUPAC04 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00\nFMCL_IUPAC04 CS 250.000 5.320050E-21 1.421323E-21 2.242342E-22 8.338288E-23 0.000000E+00 0.000000E+00 0.000000E+00\nFMCL_IUPAC04 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00\nFMCL_IUPAC04 CS 270.000 5.320050E-21 1.421323E-21 2.242342E-22 8.338288E-23 0.000000E+00 0.000000E+00 0.000000E+00\nFMCL_IUPAC04 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00\nFMCL_IUPAC04 CS 290.000 5.320050E-21 1.421323E-21 2.242342E-22 8.338288E-23 0.000000E+00 0.000000E+00 0.000000E+00\nFMCL_IUPAC04 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00\nFMCL_IUPAC04 CS 310.000 5.320050E-21 1.421323E-21 2.242342E-22 8.338288E-23 0.000000E+00 0.000000E+00 0.000000E+00\nFMCL_IUPAC04 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00\nCLNO2_IUPAC13 CS 210.000 1.630885E-19 1.401581E-19 1.165449E-19 9.197057E-20 4.058577E-20 2.506084E-21 1.666845E-23\nCLNO2_IUPAC13 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nCLNO2_IUPAC13 CS 230.000 1.600463E-19 1.384247E-19 1.162092E-19 9.282048E-20 4.270499E-20 3.014832E-21 1.684379E-23\nCLNO2_IUPAC13 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nCLNO2_IUPAC13 CS 250.000 1.583382E-19 1.376411E-19 1.165927E-19 9.421802E-20 4.513980E-20 3.671099E-21 1.713705E-23\nCLNO2_IUPAC13 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nCLNO2_IUPAC13 CS 270.000 1.579640E-19 1.378072E-19 1.176955E-19 9.616322E-20 4.789021E-20 4.474883E-21 1.754824E-23\nCLNO2_IUPAC13 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nCLNO2_IUPAC13 CS 290.000 1.589238E-19 1.389231E-19 1.195174E-19 9.865609E-20 5.095621E-20 5.426186E-21 1.807737E-23\nCLNO2_IUPAC13 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nCLNO2_IUPAC13 CS 310.000 1.594719E-19 1.394430E-19 1.202042E-19 9.951074E-20 5.193755E-20 5.740343E-21 1.825910E-23\nCLNO2_IUPAC13 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nCLONO2_1 CS 210.000 3.530556E-20 1.872070E-20 1.123545E-20 7.141706E-21 3.111550E-21 9.743237E-22 9.489116E-24\nCLONO2_1 EQY 210.000 4.000000E-01 3.992096E-01 3.837866E-01 3.420477E-01 2.361424E-01 2.718547E-02 0.000000E+00\nCLONO2_1 CS 230.000 3.756278E-20 2.004876E-20 1.210488E-20 7.706714E-21 3.240199E-21 1.038511E-21 9.491610E-24\nCLONO2_1 EQY 230.000 4.000000E-01 3.992096E-01 3.837866E-01 3.420477E-01 2.361424E-01 2.718547E-02 0.000000E+00\nCLONO2_1 CS 250.000 3.999382E-20 2.155965E-20 1.312916E-20 8.405717E-21 3.464433E-21 1.097813E-21 9.504681E-24\nCLONO2_1 EQY 250.000 4.000000E-01 3.992096E-01 3.837866E-01 3.420477E-01 2.361424E-01 2.718547E-02 0.000000E+00\nCLONO2_1 CS 270.000 4.259870E-20 2.325335E-20 1.430828E-20 9.238715E-21 3.784253E-21 1.152229E-21 9.528331E-24\nCLONO2_1 EQY 270.000 4.000000E-01 3.992096E-01 3.837866E-01 3.420477E-01 2.361424E-01 2.718547E-02 0.000000E+00\nCLONO2_1 CS 290.000 4.537742E-20 2.512988E-20 1.564224E-20 1.020571E-20 4.199657E-21 1.201758E-21 9.562558E-24\nCLONO2_1 EQY 290.000 4.000000E-01 3.992096E-01 3.837866E-01 3.420477E-01 2.361424E-01 2.718547E-02 0.000000E+00\nCLONO2_1 CS 310.000 4.832995E-20 2.718922E-20 1.713105E-20 1.130669E-20 4.710647E-21 1.246402E-21 9.607363E-24\nCLONO2_1 EQY 310.000 4.000000E-01 3.992096E-01 3.837866E-01 3.420477E-01 2.361424E-01 2.718547E-02 0.000000E+00\nCLONO2_2 CS 210.000 3.530556E-20 1.872070E-20 1.123545E-20 7.141706E-21 3.111550E-21 9.743237E-22 9.489116E-24\nCLONO2_2 EQY 210.000 6.000000E-01 6.007904E-01 6.162134E-01 6.579523E-01 7.638576E-01 9.728145E-01 1.000000E+00\nCLONO2_2 CS 230.000 3.756278E-20 2.004876E-20 1.210488E-20 7.706714E-21 3.240199E-21 1.038511E-21 9.491610E-24\nCLONO2_2 EQY 230.000 6.000000E-01 6.007904E-01 6.162134E-01 6.579523E-01 7.638576E-01 9.728145E-01 1.000000E+00\nCLONO2_2 CS 250.000 3.999382E-20 2.155965E-20 1.312916E-20 8.405717E-21 3.464433E-21 1.097813E-21 9.504681E-24\nCLONO2_2 EQY 250.000 6.000000E-01 6.007904E-01 6.162134E-01 6.579523E-01 7.638576E-01 9.728145E-01 1.000000E+00\nCLONO2_2 CS 270.000 4.259870E-20 2.325335E-20 1.430828E-20 9.238715E-21 3.784253E-21 1.152229E-21 9.528331E-24\nCLONO2_2 EQY 270.000 6.000000E-01 6.007904E-01 6.162134E-01 6.579523E-01 7.638576E-01 9.728145E-01 1.000000E+00\nCLONO2_2 CS 290.000 4.537742E-20 2.512988E-20 1.564224E-20 1.020571E-20 4.199657E-21 1.201758E-21 9.562558E-24\nCLONO2_2 EQY 290.000 6.000000E-01 6.007904E-01 6.162134E-01 6.579523E-01 7.638576E-01 9.728145E-01 1.000000E+00\nCLONO2_2 CS 310.000 4.832995E-20 2.718922E-20 1.713105E-20 1.130669E-20 4.710647E-21 1.246402E-21 9.607363E-24\nCLONO2_2 EQY 310.000 6.000000E-01 6.007904E-01 6.162134E-01 6.579523E-01 7.638576E-01 9.728145E-01 1.000000E+00\nIC3ONO2 CS 210.000 9.514298E-21 4.530419E-21 2.204171E-21 1.039935E-21 1.393909E-22 0.000000E+00 0.000000E+00\nIC3ONO2 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nIC3ONO2 CS 230.000 9.514298E-21 4.530419E-21 2.204171E-21 1.039935E-21 1.393909E-22 0.000000E+00 0.000000E+00\nIC3ONO2 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nIC3ONO2 CS 250.000 9.980248E-21 4.802258E-21 2.361341E-21 1.133020E-21 1.558919E-22 0.000000E+00 0.000000E+00\nIC3ONO2 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nIC3ONO2 CS 270.000 1.098172E-20 5.395850E-21 2.710103E-21 1.344930E-21 1.949851E-22 0.000000E+00 0.000000E+00\nIC3ONO2 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nIC3ONO2 CS 290.000 1.208369E-20 6.062813E-21 3.110376E-21 1.596473E-21 2.438819E-22 0.000000E+00 0.000000E+00\nIC3ONO2 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nIC3ONO2 CS 310.000 1.329624E-20 6.812218E-21 3.569767E-21 1.895064E-21 3.050405E-22 0.000000E+00 0.000000E+00\nIC3ONO2 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nACRO_09 CS 210.000 1.856128E-20 2.787986E-20 3.602616E-20 4.321518E-20 5.371941E-20 1.543856E-20 0.000000E+00\nACRO_09 EQY 210.000 5.269045E-02 3.293790E-02 2.264026E-02 1.595375E-02 6.767500E-03 1.624741E-03 0.000000E+00\nACRO_09 CS 230.000 1.856128E-20 2.787986E-20 3.602616E-20 4.321518E-20 5.371941E-20 1.543856E-20 0.000000E+00\nACRO_09 EQY 230.000 5.269045E-02 3.293790E-02 2.264026E-02 1.595375E-02 6.767500E-03 1.624741E-03 0.000000E+00\nACRO_09 CS 250.000 1.856128E-20 2.787986E-20 3.602616E-20 4.321518E-20 5.371941E-20 1.543856E-20 0.000000E+00\nACRO_09 EQY 250.000 5.269045E-02 3.293790E-02 2.264026E-02 1.595375E-02 6.767500E-03 1.624741E-03 0.000000E+00\nACRO_09 CS 270.000 1.856128E-20 2.787986E-20 3.602616E-20 4.321518E-20 5.371941E-20 1.543856E-20 0.000000E+00\nACRO_09 EQY 270.000 5.269045E-02 3.293790E-02 2.264026E-02 1.595375E-02 6.767500E-03 1.624741E-03 0.000000E+00\nACRO_09 CS 290.000 1.856128E-20 2.787986E-20 3.602616E-20 4.321518E-20 5.371941E-20 1.543856E-20 0.000000E+00\nACRO_09 EQY 290.000 5.269045E-02 3.293790E-02 2.264026E-02 1.595375E-02 6.767500E-03 1.624741E-03 0.000000E+00\nACRO_09 CS 310.000 1.856128E-20 2.787986E-20 3.602616E-20 4.321518E-20 5.371941E-20 1.543856E-20 0.000000E+00\nACRO_09 EQY 310.000 5.269045E-02 3.293790E-02 2.264026E-02 1.595375E-02 6.767500E-03 1.624741E-03 0.000000E+00\n! Ozone Cross-Section for Stratospheric Opacity based on Table 4-5 in\n! Chemical Kinetics and Photochemical Data for Use in Atmospheric\n! Studies Evaluation Number 15. Sander et. al: NASA-JPL 2006 \nNTEMP_STRAT = 6\n! QUANTITY TEMP WBIN( 1) WBIN( 2) WBIN( 3) WBIN( 4) WBIN( 5) WBIN( 6) WBIN( 7)\nO3_STRAT CS 180.000 6.113743E-19 2.263004E-19 8.354117E-20 3.417408E-20 3.688351E-21 4.086261E-23 1.663175E-21\nO3_STRAT CS 260.000 6.434133E-19 2.434104E-19 9.254548E-20 3.928807E-20 4.583227E-21 4.086261E-23 1.663175E-21\nO3_STRAT CS 300.000 6.685868E-19 2.568540E-19 9.962031E-20 4.330621E-20 5.286344E-21 4.086261E-23 1.663175E-21\nO3_STRAT CS 340.000 6.685868E-19 2.568540E-19 9.962031E-20 4.330621E-20 5.286344E-21 4.086261E-23 1.663175E-21\nO3_STRAT CS 380.000 6.685868E-19 2.568540E-19 9.962031E-20 4.330621E-20 5.286344E-21 4.086261E-23 1.663175E-21\nO3_STRAT CS 420.000 6.685868E-19 2.568540E-19 9.962031E-20 4.330621E-20 5.286344E-21 4.086261E-23 1.663175E-21\n" }, { "path": "CCTM/src/MECHS/cb6r3_ae7_aq/GC_cb6r3_ae7_aq.nml", "content": "&GC_nml\n\nGC_SPECIES_DATA = \n\n!SPECIES ,MOLWT ,IC ,IC_FAC,BC ,BC_FAC ,DRYDEP SURR ,FAC ,WET-SCAV SURR ,FAC ,GC2AE SURR ,GC2AQ SURR,TRNS ,DDEP ,WDEP ,CONC\n'NO2' , 46.0 ,'' ,-1 ,'' ,-1 ,'VD_NO2' , 1 ,'NO2' , 1 ,'NO2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'NO' , 30.0 ,'' ,-1 ,'' ,-1 ,'VD_NO' , 1 ,'NO' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'O' , 16.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'O3' , 48.0 ,'' ,-1 ,'' ,-1 ,'VD_O3' , 1 ,'O3' , 1 ,'' ,'O3' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'NO3' , 62.0 ,'' ,-1 ,'' ,-1 ,'VD_NO3' , 1 ,'NO3' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'O1D' , 16.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'OH' , 17.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'OH' ,'HO' ,'' ,'' ,'' ,'Yes',\n'HO2' , 33.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'H2O2' , 34.0 ,'' ,-1 ,'' ,-1 ,'VD_H2O2' , 1 ,'H2O2' , 1 ,'' ,'H2O2' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'N2O5' ,108.0 ,'' ,-1 ,'' ,-1 ,'VD_N2O5' , 1 ,'N2O5' , 1 ,'N2O5' ,'N2O5' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'HNO3' , 63.0 ,'' ,-1 ,'' ,-1 ,'VD_HNO3' , 1 ,'HNO3' , 1 ,'HNO3' ,'HNO3' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'HONO' , 47.0 ,'' ,-1 ,'' ,-1 ,'VD_HONO' , 1 ,'HNO2' , 1 ,'HONO' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'PNA' , 79.0 ,'' ,-1 ,'' ,-1 ,'VD_PNA' , 1 ,'HNO4' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SO2' , 64.0 ,'' ,-1 ,'' ,-1 ,'VD_SO2' , 1 ,'SO2' , 1 ,'' ,'SO2' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SULF' , 98.0 ,'' ,-1 ,'' ,-1 ,'VD_SULF' , 1 ,'H2SO4' , 1 ,'SULF' ,'H2SO4' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SULRXN' , 98.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'SULPRD' ,'' ,'' ,'' ,'' ,'' ,\n'C2O3' , 75.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'MEO2' , 47.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'RO2' , 87.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'PAN' ,121.0 ,'' ,-1 ,'' ,-1 ,'VD_PAN' , 1 ,'PAN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'PACD' , 76.0 ,'' ,-1 ,'' ,-1 ,'VD_PAA' , 1 ,'PEROXYACETIC_ACI', 1 ,'' ,'PAA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AACD' , 60.0 ,'' ,-1 ,'' ,-1 ,'VD_ORA' , 1 ,'ACETIC_ACID' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'CXO3' , 89.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'ALD2' , 44.0 ,'' ,-1 ,'' ,-1 ,'VD_ALD' , 1 ,'ACETALDEHYDE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'XO2H' , 87.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'PANX' ,135.0 ,'' ,-1 ,'' ,-1 ,'VD_PPN' , 1 ,'PPN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'FORM' , 30.0 ,'' ,-1 ,'' ,-1 ,'VD_HCHO' , 1 ,'FORMALDEHYDE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'MEPX' , 48.0 ,'' ,-1 ,'' ,-1 ,'VD_OP' , 1 ,'METHYLHYDROPEROX', 1 ,'' ,'MHP' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'MEOH' , 32.0 ,'' ,-1 ,'' ,-1 ,'VD_METHANOL' , 1 ,'METHANOL' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ROOH' , 90.1 ,'' ,-1 ,'' ,-1 ,'VD_ROOH' , 1 ,'METHYLHYDROPEROX', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'XO2' , 87.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'XO2N' , 87.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'XPAR' , 45.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'XPRP' , 89.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'NTR1' ,119.1 ,'' ,-1 ,'' ,-1 ,'VD_NTRALK' , 1 ,'NTR_ALK' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'NTR2' ,135.1 ,'' ,-1 ,'' ,-1 ,'VD_NTROH' , 1 ,'NTR_OH' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'FACD' , 46.0 ,'' ,-1 ,'' ,-1 ,'VD_FACD' , 1 ,'FORMIC_ACID' , 1 ,'' ,'FOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'CO' , 28.0 ,'' ,-1 ,'' ,-1 ,'VD_CO' , 1 ,'CO' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'HCO3' , 63.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'ALDX' , 58.1 ,'' ,-1 ,'' ,-1 ,'VD_GEN_ALD' , 1 ,'GENERIC_ALDEHYDE', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'GLYD' , 60.0 ,'' ,-1 ,'' ,-1 ,'VD_GLYD' , 1 ,'GLYOXAL' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'GLY' , 58.0 ,'' ,-1 ,'' ,-1 ,'VD_GLY' , 1 ,'GLYOXAL' , 1 ,'' ,'GLY' ,'Yes' ,'Yes' ,'' ,'Yes',\n'MGLY' , 72.0 ,'' ,-1 ,'' ,-1 ,'VD_MGLY' , 1 ,'METHYL_GLYOXAL' , 1 ,'' ,'MGLY' ,'Yes' ,'Yes' ,'' ,'Yes',\n'ETHA' , 30.1 ,'' ,-1 ,'' ,-1 ,'VD_ETHA' , 1 ,'ETHANE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'ETOH' , 46.1 ,'' ,-1 ,'' ,-1 ,'VD_ETOH' , 1 ,'ETHANOL' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'KET' , 72.1 ,'' ,-1 ,'' ,-1 ,'VD_KET' , 1 ,'MEK' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'PAR' , 14.0 ,'' ,-1 ,'' ,-1 ,'VD_PAR' , 1 ,'ETHANE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'ACET' , 58.1 ,'' ,-1 ,'' ,-1 ,'VD_ACET' , 1 ,'ACETONE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'PRPA' , 44.1 ,'' ,-1 ,'' ,-1 ,'VD_PRPA' , 1 ,'PROPANE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'ROR' , 29.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'ETHY' , 26.0 ,'' ,-1 ,'' ,-1 ,'VD_ETHY' , 1 ,'ACETYLENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'ETH' , 28.0 ,'' ,-1 ,'' ,-1 ,'VD_ETH' , 1 ,'ETHENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'OLE' , 42.1 ,'' ,-1 ,'' ,-1 ,'VD_OLE' , 1 ,'ETHENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'IOLE' , 56.1 ,'' ,-1 ,'' ,-1 ,'VD_IOLE' , 1 ,'ETHENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'ISOP' , 68.1 ,'' ,-1 ,'' ,-1 ,'VD_ISOP' , 1 ,'ISOPRENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'ISO2' ,117.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'ISOPRXN' , 68.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'ISOPRXN' ,'' ,'' ,'' ,'' ,'' ,\n'ISPD' , 70.1 ,'' ,-1 ,'' ,-1 ,'VD_ISPD' , 1 ,'METHACROLEIN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'INTR' ,147.1 ,'' ,-1 ,'' ,-1 ,'VD_INTR' , 1 ,'NTR_OH' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ISPX' ,118.1 ,'' ,-1 ,'' ,-1 ,'VD_ISPX' , 1 ,'METHYLHYDROPEROX', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'HPLD' ,116.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'OPO3' ,115.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'EPOX' ,118.1 ,'' ,-1 ,'' ,-1 ,'VD_IEPOX' , 1 ,'MEK' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'IEPOXP' ,118.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes', \n'EPX2' ,149.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'TERP' ,136.2 ,'' ,-1 ,'' ,-1 ,'VD_TERP' , 1 ,'PINENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'APIN' ,136.2 ,'' ,-1 ,'' ,-1 ,'VD_TERP' , 1 ,'PINENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'TERPNRO2' ,197.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'MTNO3' ,231.0 ,'' ,-1 ,'' ,-1 ,'VD_MTNO3' , 1 ,'MTNO3' , 1 ,'MTNO3' ,'MTNO3' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'TRPRXN' ,136.2 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'TRPRXN' ,'' ,'' ,'' ,'' ,'' ,\n'BENZENE' , 78.1 ,'' ,-1 ,'' ,-1 ,'VD_BENZ' , 1 ,'BENZENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'CRES' ,108.1 ,'' ,-1 ,'' ,-1 ,'VD_CRES' , 1 ,'2-CRESOL' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'BZO2' ,159.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'OPEN' , 84.0 ,'' ,-1 ,'' ,-1 ,'VD_OPEN' , 1 ,'METHACROLEIN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'BENZRO2' ,127.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'TOL' , 92.1 ,'' ,-1 ,'' ,-1 ,'VD_TOL' , 1 ,'TOLUENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'TO2' ,173.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'TOLRO2' ,141.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'XOPN' , 98.1 ,'' ,-1 ,'' ,-1 ,'VD_XOPN' , 1 ,'MEK' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'XYLMN' ,106.2 ,'' ,-1 ,'' ,-1 ,'VD_XYLMN' , 1 ,'O-XYLENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'XLO2' ,187.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'XYLRO2' ,155.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'NAPH' ,128.2 ,'' ,-1 ,'' ,-1 ,'VD_NAPH' , 1 ,'O-XYLENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'PAHRO2' ,187.2 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'CRO' ,107.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'CAT1' ,124.1 ,'' ,-1 ,'' ,-1 ,'VD_CAT1' , 1 ,'PHENOL' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'CRON' ,153.1 ,'' ,-1 ,'' ,-1 ,'VD_METH_NIT_PHEN', 1 ,'6_NITRO_O_CRESOL', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'OPAN' ,161.0 ,'' ,-1 ,'' ,-1 ,'VD_MPAN' , 1 ,'MPAN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ECH4' , 16.0 ,'' ,-1 ,'' ,-1 ,'VD_METHANE' , 1 ,'METHANE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'CL2' , 71.0 ,'' ,-1 ,'' ,-1 ,'VD_CL2' , 1 ,'CL2' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'CL' , 35.5 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'HOCL' , 52.5 ,'' ,-1 ,'' ,-1 ,'VD_HOCL' , 1 ,'HOCL' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'CLO' , 51.5 ,'' ,-1 ,'' ,-1 ,'VD_CLO' , 1 ,'CLO' , 1 ,'' ,'' ,'YES' ,'' ,'' ,'Yes',\n'FMCL' , 64.5 ,'' ,-1 ,'' ,-1 ,'VD_FMCL' , 1 ,'FMCL' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'HCL' , 36.5 ,'' ,-1 ,'' ,-1 ,'VD_HCL' , 1 ,'HCL' , 1 ,'HCL' ,'HCL' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'CLNO2' , 81.5 ,'' ,-1 ,'' ,-1 ,'VD_CLNO2' , 1 ,'NITRYL_CHLORIDE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'CLNO3' , 97.5 ,'' ,-1 ,'' ,-1 ,'VD_CLNO3' , 1 ,'CLNO3' , 1 ,'CLNO3' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SESQ' ,204.0 ,'' ,-1 ,'' ,-1 ,'VD_SESQ' , 1 ,'PINENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'SESQRXN' ,204.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'SESQRXN' ,'' ,'' ,'' ,'' ,'' ,\n'SOAALK' ,112.0 ,'' ,-1 ,'' ,-1 ,'VD_SOAALK' , 1 ,'DECANE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'H2NO3PIJ' , 64.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'H2NO3PK' , 64.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'VLVPO1' ,218.0 ,'' ,-1 ,'' ,-1 ,'VD_VLVPO1' , 1 ,'ADIPIC_ACID' , 1 ,'VLVPO1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VSVPO1' ,230.0 ,'' ,-1 ,'' ,-1 ,'VD_VSVPO1' , 1 ,'ADIPIC_ACID' , 1 ,'VSVPO1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VSVPO2' ,241.0 ,'' ,-1 ,'' ,-1 ,'VD_VSVPO2' , 1 ,'ADIPIC_ACID' , 1 ,'VSVPO2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VSVPO3' ,253.0 ,'' ,-1 ,'' ,-1 ,'VD_VSVPO3' , 1 ,'ADIPIC_ACID' , 1 ,'VSVPO3' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VIVPO1' ,266.0 ,'' ,-1 ,'' ,-1 ,'VD_VIVPO1' , 1 ,'ADIPIC_ACID' , 1 ,'VIVPO1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VLVOO1' ,136.0 ,'' ,-1 ,'' ,-1 ,'VD_VLVOO1' , 1 ,'ADIPIC_ACID' , 1 ,'VLVOO1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VLVOO2' ,136.0 ,'' ,-1 ,'' ,-1 ,'VD_VLVOO2' , 1 ,'ADIPIC_ACID' , 1 ,'VLVOO2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VSVOO1' ,135.0 ,'' ,-1 ,'' ,-1 ,'VD_VSVOO1' , 1 ,'ADIPIC_ACID' , 1 ,'VSVOO1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VSVOO2' ,135.0 ,'' ,-1 ,'' ,-1 ,'VD_VSVOO2' , 1 ,'ADIPIC_ACID' , 1 ,'VSVOO2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VSVOO3' ,134.0 ,'' ,-1 ,'' ,-1 ,'VD_VSVOO3' , 1 ,'ADIPIC_ACID' , 1 ,'VSVOO3' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'PCVOC' ,170.0 ,'' ,-1 ,'' ,-1 ,'VD_PCVOC' , 1 ,'GENERIC_ALDEHYDE', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'PCSOARXN' ,170.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'PCSOARXN' ,'' ,'' ,'' ,'' ,'' ,\n'FORM_PRIMARY' , 30.0 ,'' ,-1 ,'' ,-1 ,'VD_HCHO' , 1 ,'FORMALDEHYDE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ALD2_PRIMARY' , 44.0 ,'' ,-1 ,'' ,-1 ,'VD_ALD' , 1 ,'ACETALDEHYDE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'BUTADIENE13' , 54.0 ,'' ,-1 ,'' ,-1 ,'VD_BUTADIENE13' , 1 ,'13-BUTADIENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'ACROLEIN' , 56.1 ,'' ,-1 ,'' ,-1 ,'VD_ACROLEIN' , 1 ,'ACROLEIN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'ACRO_PRIMARY' , 56.1 ,'' ,-1 ,'' ,-1 ,'VD_ACROLEIN' , 1 ,'ACROLEIN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'TOLU' , 92.0 ,'' ,-1 ,'' ,-1 ,'VD_TOL' , 1 ,'TOLUENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'HG' ,200.6 ,'' ,-1 ,'' ,-1 ,'VD_HG' , 1 ,'HG' , 1 ,'' ,'HG' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'HGIIAER' ,200.6 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'PHGRXN' ,'' ,'' ,'' ,'' ,'' ,\n'HGIIGAS' ,271.5 ,'' ,-1 ,'' ,-1 ,'VD_HGIIGAS' , 1 ,'HGIIGAS' , 1 ,'' ,'HGIIGAS' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVAVB1' ,198.0 ,'' ,-1 ,'' ,-1 ,'VD_SVAVB1' , 1 ,'SVAVB1' , 1 ,'SVAVB1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVAVB2' ,179.0 ,'' ,-1 ,'' ,-1 ,'VD_SVAVB2' , 1 ,'SVAVB2' , 1 ,'SVAVB2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVAVB3' ,169.0 ,'' ,-1 ,'' ,-1 ,'VD_SVAVB3' , 1 ,'SVAVB3' , 1 ,'SVAVB3' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVAVB4' ,158.0 ,'' ,-1 ,'' ,-1 ,'VD_SVAVB4' , 1 ,'SVAVB4' , 1 ,'SVAVB4' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n/\n" }, { "path": "CCTM/src/MECHS/cb6r3_ae7_aq/NR_cb6r3_ae7_aq.nml", "content": "&NR_nml\n\nNR_SPECIES_DATA = \n\n!SPECIES ,MOLWT ,IC ,IC_FAC ,BC ,BC_FAC ,DRYDEP SURR ,FAC ,WET-SCAV SURR ,FAC ,NR2AE SURR ,NR2AQ SURR,TRNS ,DDEP ,WDEP ,CONC\n'NH3' , 17.0 ,'' ,-1 ,'' ,-1 ,'VD_NH3' , 1 ,'NH3' , 1 ,'NH3' ,'NH3' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVISO1' ,132.0 ,'' ,-1 ,'' ,-1 ,'VD_SVISO1' , 1 ,'SVISO1' , 1 ,'SVISO1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVISO2' ,133.0 ,'' ,-1 ,'' ,-1 ,'VD_SVISO2' , 1 ,'SVISO2' , 1 ,'SVISO2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVSQT' ,273.0 ,'' ,-1 ,'' ,-1 ,'VD_SVSQT' , 1 ,'SVSQT' , 1 ,'SVSQT' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'LVPCSOG',170.0 ,'' ,-1 ,'' ,-1 ,'VD_LVPCSOG' , 1 ,'ADIPIC_ACID' , 1 ,'LVPCSOG' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'SVMT1' ,300.0 ,'' ,-1 ,'' ,-1 ,'VD_SVMT1' , 1 ,'SVMT1' , 1 ,'SVMT1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVMT2' ,200.0 ,'' ,-1 ,'' ,-1 ,'VD_SVMT2' , 1 ,'SVMT2' , 1 ,'SVMT2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVMT3' ,186.0 ,'' ,-1 ,'' ,-1 ,'VD_SVMT3' , 1 ,'SVMT3' , 1 ,'SVMT3' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVMT4' ,184.0 ,'' ,-1 ,'' ,-1 ,'VD_SVMT4' , 1 ,'SVMT4' , 1 ,'SVMT4' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVMT5' ,170.0 ,'' ,-1 ,'' ,-1 ,'VD_SVMT5' , 1 ,'SVMT5' , 1 ,'SVMT5' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVMT6' ,168.0 ,'' ,-1 ,'' ,-1 ,'VD_SVMT6' , 1 ,'SVMT6' , 1 ,'SVMT6' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n/\n" }, { "path": "CCTM/src/MECHS/cb6r3_ae7_aq/RXNS_DATA_MODULE.F90", "content": " MODULE RXNS_DATA\n\n\n IMPLICIT NONE\n\n\n\n! --------- Photochemical Mechanism Reactions, Rates, etc. DAT ---------\n! Source file: /home/bmurphy/cmaq_projects/bicicle_1.7/UTIL/chemmech/input/cb6r3_ae7_aq/mech_cb6r3_ae7_aq.def\n! for Mechanism Name: CB6R3_AE7_AQ \n\n! This file is used to create mechanism data and functions\n\n! The following are reserved symbols declared in this file:\n! MECHNAME = Mechanism name\n! N_GAS_CHEM_SPC = Total number of gas species in chemical mechanism\n! NUMB_MECH_SPC = Total number of species in chemical mechanism\n! N_ACT_SP = Number of active (determined by ODE solver) species in mechanism\n! GAS_CHEM_SPC = Names of gas species in chemical mechanism\n! CHEMISTRY_SPC = Names of species in chemical mechanism\n! CGRID_INDEX = CGRID Index of species in chemical mechanism\n! SPECIES_TYPE = Group or type of species \n! SPECIES_MOLWT = Molecular Weight of species (gm/mole)\n! NRXNS = Number of mechanism reactions\n! ZERO_REACT_REACTIONS = number zero reactant reactions\n! ONE_REACT_REACTIONS = number one reactant reactions\n! TWO_REACT_REACTIONS = number second order reactions\n! THREE_REACT_REACTIONS = number three reactant reactions\n! NSUNLIGHT_RXNS = Number of mechanism reactions requiring sunlight\n! NTHERMAL_RXNS = Number of mechanism reactions not requiring sunlight\n! KUNITS = Units of mechanism reactions\n! KTYPE = Reaction type\n! IRXBITS = Bit test mask vector for selected reactions\n! IORDER = Order of the reaction\n! NTERMS_JACOB = Maximum number of nonzero terms in day/night Jacobian\n! MSTEPS_JACOB = Maximum number of LU Decomposition steps to solve each Jacobian\n! KTN1 = Number of type 1 reactions\n! KRX1 = Reactions list pointer to type 1 reactions\n! KTN2 = Number of type 2 reactions\n! KRX2 = Reactions list pointer to type 2 reactions\n! KTN3 = Number of type 3 reactions\n! KRX3 = Reactions list pointer to type 3 reactions\n! KTN4 = Number of type 4 reactions\n! KRX4 = Reactions list pointer to type 4 reactions\n! KTN5 = Number of type 5 reactions\n! KRX5 = Reactions list pointer to type 5 reactions\n! KTN6 = Number of type 6 reactions\n! KRX6 = Reactions list pointer to type 6 reactions\n! KTN7 = Number of type 7 reactions\n! KRX7 = Reactions list pointer to type 7 reactions\n\n! NWM = Number of air 3-body reactions\n! NRXWM = Reactions list pointer to air 3-body reactions\n! ATM_AIR = air 3-body reactions concentration\n! NWW = Number of H2O 3-body reactions\n! NRXWW = Reactions list pointer to H2O 3-body reactions\n! NWO2 = Number of reactions with O2\n! NRXWO2 = Reactions list pointer to O2 reactions\n! ATM_O2 = Oxygen reactions concentration\n! NWN2 = Number of N2 3-body reactions\n! NRXWN2 = Reactions list pointer to N2 3-body reactions\n! ATM_N2 = Nitrogen 3-body reactions concentration\n! NWCH4 = Number of reactions with CH4\n! NRXWCH4 = Reactions list pointer to CH4 reactions\n! ATM_CH4 = Methane reactions concentration\n! NWH2 = Number of reactions with H2\n! NRXWH2 = Reactions list pointer to H2 reactions\n! ATM_H2 = Hydrogen reactions concentration\n\n! MXPRD = Maximum number of mechanism reaction products\n! IRR = Reactions list pointer to reactants and products\n! RTDAT = Kinetic reaction rates expressions components\n! NFALLOFFF = Number of falloff reactions\n! IRRFALL = Reactions list pointer to falloff reactions\n! RFDAT = Falloff reaction rates expressions components\n! SC = Stoichiometric coefficients\n! NREACT = Number of reactants in each mechanism reaction\n! NPRDCT = Number of products in each mechanism reaction\n! RXLABEL = Character label list for mechanism reactions\n! NMPHOT = Number of mechanism photolytic reactions\n! NPHOTAB = Number of photolytic reactions tables\n! IPH = Reactions list pointer to photolytic reactions and tables\n! MHETERO = Number of mechanism heteorogenous reactions\n! NHETERO = Number of unique heteorogenous rate constants\n! IHETERO = Reactions list pointer to heteorogenous reactions and tables\n\n CHARACTER( 32 ), PARAMETER :: MECHNAME = 'CB6R3_AE7_AQ'\n\n INTEGER, PARAMETER :: N_GAS_CHEM_SPC = 127\n INTEGER, PARAMETER :: NUMB_MECH_SPC = 147\n\n CHARACTER( 16 ) :: GAS_CHEM_SPC( N_GAS_CHEM_SPC )\n CHARACTER( 16 ) :: CHEMISTRY_SPC( NUMB_MECH_SPC )\n CHARACTER( 16 ) :: SPECIES_TYPE( NUMB_MECH_SPC )\n INTEGER :: CGRID_INDEX ( NUMB_MECH_SPC )\n INTEGER :: TYPE_INDEX ( NUMB_MECH_SPC )\n REAL( 8 ) :: SPECIES_MOLWT( NUMB_MECH_SPC )\n LOGICAL :: CONVERT_CONC( NUMB_MECH_SPC )\n\n! The below character and integer arrays list the model species names used in the \n! chemical mechanism. The gas species and their order should agree with \n! the GC_SPC array for the gas phase chemistry to work correctly. \n! If present, the CHEMISTRY_SPC names and species type should agree with the CGRID_SPCS module\n\n DATA GAS_CHEM_SPC( 1 ) / 'NO2 ' /\n DATA GAS_CHEM_SPC( 2 ) / 'NO ' /\n DATA GAS_CHEM_SPC( 3 ) / 'O ' /\n DATA GAS_CHEM_SPC( 4 ) / 'O3 ' /\n DATA GAS_CHEM_SPC( 5 ) / 'NO3 ' /\n DATA GAS_CHEM_SPC( 6 ) / 'O1D ' /\n DATA GAS_CHEM_SPC( 7 ) / 'OH ' /\n DATA GAS_CHEM_SPC( 8 ) / 'HO2 ' /\n DATA GAS_CHEM_SPC( 9 ) / 'H2O2 ' /\n DATA GAS_CHEM_SPC( 10 ) / 'N2O5 ' /\n DATA GAS_CHEM_SPC( 11 ) / 'HNO3 ' /\n DATA GAS_CHEM_SPC( 12 ) / 'HONO ' /\n DATA GAS_CHEM_SPC( 13 ) / 'PNA ' /\n DATA GAS_CHEM_SPC( 14 ) / 'SO2 ' /\n DATA GAS_CHEM_SPC( 15 ) / 'SULF ' /\n DATA GAS_CHEM_SPC( 16 ) / 'SULRXN ' /\n DATA GAS_CHEM_SPC( 17 ) / 'C2O3 ' /\n DATA GAS_CHEM_SPC( 18 ) / 'MEO2 ' /\n DATA GAS_CHEM_SPC( 19 ) / 'RO2 ' /\n DATA GAS_CHEM_SPC( 20 ) / 'PAN ' /\n DATA GAS_CHEM_SPC( 21 ) / 'PACD ' /\n DATA GAS_CHEM_SPC( 22 ) / 'AACD ' /\n DATA GAS_CHEM_SPC( 23 ) / 'CXO3 ' /\n DATA GAS_CHEM_SPC( 24 ) / 'ALD2 ' /\n DATA GAS_CHEM_SPC( 25 ) / 'XO2H ' /\n DATA GAS_CHEM_SPC( 26 ) / 'PANX ' /\n DATA GAS_CHEM_SPC( 27 ) / 'FORM ' /\n DATA GAS_CHEM_SPC( 28 ) / 'MEPX ' /\n DATA GAS_CHEM_SPC( 29 ) / 'MEOH ' /\n DATA GAS_CHEM_SPC( 30 ) / 'ROOH ' /\n DATA GAS_CHEM_SPC( 31 ) / 'XO2 ' /\n DATA GAS_CHEM_SPC( 32 ) / 'XO2N ' /\n DATA GAS_CHEM_SPC( 33 ) / 'NTR1 ' /\n DATA GAS_CHEM_SPC( 34 ) / 'NTR2 ' /\n DATA GAS_CHEM_SPC( 35 ) / 'FACD ' /\n DATA GAS_CHEM_SPC( 36 ) / 'CO ' /\n DATA GAS_CHEM_SPC( 37 ) / 'HCO3 ' /\n DATA GAS_CHEM_SPC( 38 ) / 'ALDX ' /\n DATA GAS_CHEM_SPC( 39 ) / 'GLYD ' /\n DATA GAS_CHEM_SPC( 40 ) / 'GLY ' /\n DATA GAS_CHEM_SPC( 41 ) / 'MGLY ' /\n DATA GAS_CHEM_SPC( 42 ) / 'ETHA ' /\n DATA GAS_CHEM_SPC( 43 ) / 'ETOH ' /\n DATA GAS_CHEM_SPC( 44 ) / 'KET ' /\n DATA GAS_CHEM_SPC( 45 ) / 'PAR ' /\n DATA GAS_CHEM_SPC( 46 ) / 'ACET ' /\n DATA GAS_CHEM_SPC( 47 ) / 'PRPA ' /\n DATA GAS_CHEM_SPC( 48 ) / 'XPRP ' /\n DATA GAS_CHEM_SPC( 49 ) / 'XPAR ' /\n DATA GAS_CHEM_SPC( 50 ) / 'ROR ' /\n DATA GAS_CHEM_SPC( 51 ) / 'ETHY ' /\n DATA GAS_CHEM_SPC( 52 ) / 'ETH ' /\n DATA GAS_CHEM_SPC( 53 ) / 'OLE ' /\n DATA GAS_CHEM_SPC( 54 ) / 'IOLE ' /\n DATA GAS_CHEM_SPC( 55 ) / 'ISOP ' /\n DATA GAS_CHEM_SPC( 56 ) / 'ISO2 ' /\n DATA GAS_CHEM_SPC( 57 ) / 'ISOPRXN ' /\n DATA GAS_CHEM_SPC( 58 ) / 'ISPD ' /\n DATA GAS_CHEM_SPC( 59 ) / 'INTR ' /\n DATA GAS_CHEM_SPC( 60 ) / 'ISPX ' /\n DATA GAS_CHEM_SPC( 61 ) / 'HPLD ' /\n DATA GAS_CHEM_SPC( 62 ) / 'OPO3 ' /\n DATA GAS_CHEM_SPC( 63 ) / 'EPOX ' /\n DATA GAS_CHEM_SPC( 64 ) / 'EPX2 ' /\n DATA GAS_CHEM_SPC( 65 ) / 'TERP ' /\n DATA GAS_CHEM_SPC( 66 ) / 'TRPRXN ' /\n DATA GAS_CHEM_SPC( 67 ) / 'TERPNRO2 ' /\n DATA GAS_CHEM_SPC( 68 ) / 'APIN ' /\n DATA GAS_CHEM_SPC( 69 ) / 'BENZENE ' /\n DATA GAS_CHEM_SPC( 70 ) / 'CRES ' /\n DATA GAS_CHEM_SPC( 71 ) / 'BZO2 ' /\n DATA GAS_CHEM_SPC( 72 ) / 'OPEN ' /\n DATA GAS_CHEM_SPC( 73 ) / 'BENZRO2 ' /\n DATA GAS_CHEM_SPC( 74 ) / 'TOL ' /\n DATA GAS_CHEM_SPC( 75 ) / 'TO2 ' /\n DATA GAS_CHEM_SPC( 76 ) / 'TOLRO2 ' /\n DATA GAS_CHEM_SPC( 77 ) / 'XOPN ' /\n DATA GAS_CHEM_SPC( 78 ) / 'XYLMN ' /\n DATA GAS_CHEM_SPC( 79 ) / 'XLO2 ' /\n DATA GAS_CHEM_SPC( 80 ) / 'XYLRO2 ' /\n DATA GAS_CHEM_SPC( 81 ) / 'NAPH ' /\n DATA GAS_CHEM_SPC( 82 ) / 'PAHRO2 ' /\n DATA GAS_CHEM_SPC( 83 ) / 'CRO ' /\n DATA GAS_CHEM_SPC( 84 ) / 'CAT1 ' /\n DATA GAS_CHEM_SPC( 85 ) / 'CRON ' /\n DATA GAS_CHEM_SPC( 86 ) / 'OPAN ' /\n DATA GAS_CHEM_SPC( 87 ) / 'ECH4 ' /\n DATA GAS_CHEM_SPC( 88 ) / 'CL2 ' /\n DATA GAS_CHEM_SPC( 89 ) / 'CL ' /\n DATA GAS_CHEM_SPC( 90 ) / 'HOCL ' /\n DATA GAS_CHEM_SPC( 91 ) / 'CLO ' /\n DATA GAS_CHEM_SPC( 92 ) / 'FMCL ' /\n DATA GAS_CHEM_SPC( 93 ) / 'HCL ' /\n DATA GAS_CHEM_SPC( 94 ) / 'CLNO2 ' /\n DATA GAS_CHEM_SPC( 95 ) / 'CLNO3 ' /\n DATA GAS_CHEM_SPC( 96 ) / 'SVAVB2 ' /\n DATA GAS_CHEM_SPC( 97 ) / 'SVAVB3 ' /\n DATA GAS_CHEM_SPC( 98 ) / 'SVAVB4 ' /\n DATA GAS_CHEM_SPC( 99 ) / 'SVAVB1 ' /\n DATA GAS_CHEM_SPC( 100 ) / 'SESQ ' /\n DATA GAS_CHEM_SPC( 101 ) / 'SESQRXN ' /\n DATA GAS_CHEM_SPC( 102 ) / 'SOAALK ' /\n DATA GAS_CHEM_SPC( 103 ) / 'H2NO3PIJ ' /\n DATA GAS_CHEM_SPC( 104 ) / 'H2NO3PK ' /\n DATA GAS_CHEM_SPC( 105 ) / 'IEPOXP ' /\n DATA GAS_CHEM_SPC( 106 ) / 'MTNO3 ' /\n DATA GAS_CHEM_SPC( 107 ) / 'PCVOC ' /\n DATA GAS_CHEM_SPC( 108 ) / 'PCSOARXN ' /\n DATA GAS_CHEM_SPC( 109 ) / 'VLVPO1 ' /\n DATA GAS_CHEM_SPC( 110 ) / 'VSVPO1 ' /\n DATA GAS_CHEM_SPC( 111 ) / 'VSVPO2 ' /\n DATA GAS_CHEM_SPC( 112 ) / 'VSVPO3 ' /\n DATA GAS_CHEM_SPC( 113 ) / 'VIVPO1 ' /\n DATA GAS_CHEM_SPC( 114 ) / 'VLVOO1 ' /\n DATA GAS_CHEM_SPC( 115 ) / 'VLVOO2 ' /\n DATA GAS_CHEM_SPC( 116 ) / 'VSVOO2 ' /\n DATA GAS_CHEM_SPC( 117 ) / 'VSVOO3 ' /\n DATA GAS_CHEM_SPC( 118 ) / 'VSVOO1 ' /\n DATA GAS_CHEM_SPC( 119 ) / 'FORM_PRIMARY ' /\n DATA GAS_CHEM_SPC( 120 ) / 'ALD2_PRIMARY ' /\n DATA GAS_CHEM_SPC( 121 ) / 'BUTADIENE13 ' /\n DATA GAS_CHEM_SPC( 122 ) / 'ACROLEIN ' /\n DATA GAS_CHEM_SPC( 123 ) / 'ACRO_PRIMARY ' /\n DATA GAS_CHEM_SPC( 124 ) / 'TOLU ' /\n DATA GAS_CHEM_SPC( 125 ) / 'HG ' /\n DATA GAS_CHEM_SPC( 126 ) / 'HGIIAER ' /\n DATA GAS_CHEM_SPC( 127 ) / 'HGIIGAS ' /\n\n\n\n\n LOGICAL :: HALOGEN_PARAMETER = .TRUE. \n\n\n! The below character and integer arrays list the model species names used in the \n! chemical mechanism. The gas species and their order should agree with \n! the GC_SPC array for the gas phase chemistry to work correctly. \n! If present, the CHEMISTRY_SPC names and species type should agree with the CGRID_SPCS module\n\n\n! MAPPED_TO_CGRID declares whether CMAQ namelists were used to determine \n! the below values of CGRID_INDEX, SPECIES_TYPE, SPECIES_MOLWT, and CONVERT_CONC\n LOGICAL, PARAMETER, PRIVATE :: F = .FALSE.\n LOGICAL, PARAMETER, PRIVATE :: T = .TRUE.\n\n\n LOGICAL :: MAPPED_TO_CGRID = .FALSE. \n\n TYPE MEMBER\n CHARACTER( 16 ) :: CHEMISTRY_SPC\n INTEGER :: CGRID_INDEX\n CHARACTER( 2 ) :: SPECIES_TYPE\n REAL( 8 ) :: SPECIES_MOLWT\n LOGICAL :: CONVERT_CONC\n END TYPE MEMBER\n TYPE( MEMBER ) :: SPECIES_LIST( NUMB_MECH_SPC ) = (/ &\n & MEMBER(\"NO2 \", 1, \"GC\", 46.00D0, F), &\n & MEMBER(\"NO \", 2, \"GC\", 30.00D0, F), &\n & MEMBER(\"O \", 3, \"GC\", 16.00D0, F), &\n & MEMBER(\"O3 \", 4, \"GC\", 48.00D0, F), &\n & MEMBER(\"NO3 \", 5, \"GC\", 62.00D0, F), &\n & MEMBER(\"O1D \", 6, \"GC\", 16.00D0, F), &\n & MEMBER(\"OH \", 7, \"GC\", 17.00D0, F), &\n & MEMBER(\"HO2 \", 8, \"GC\", 33.00D0, F), &\n & MEMBER(\"H2O2 \", 9, \"GC\", 34.00D0, F), &\n & MEMBER(\"N2O5 \", 10, \"GC\", 108.00D0, F), &\n & MEMBER(\"HNO3 \", 11, \"GC\", 63.00D0, F), &\n & MEMBER(\"HONO \", 12, \"GC\", 47.00D0, F), &\n & MEMBER(\"PNA \", 13, \"GC\", 79.00D0, F), &\n & MEMBER(\"SO2 \", 14, \"GC\", 64.00D0, F), &\n & MEMBER(\"SULF \", 15, \"GC\", 98.00D0, F), &\n & MEMBER(\"SULRXN \", 16, \"GC\", 98.00D0, F), &\n & MEMBER(\"C2O3 \", 17, \"GC\", 75.00D0, F), &\n & MEMBER(\"MEO2 \", 18, \"GC\", 47.00D0, F), &\n & MEMBER(\"RO2 \", 19, \"GC\", 87.10D0, F), &\n & MEMBER(\"PAN \", 20, \"GC\", 121.00D0, F), &\n & MEMBER(\"PACD \", 21, \"GC\", 76.00D0, F), &\n & MEMBER(\"AACD \", 22, \"GC\", 60.00D0, F), &\n & MEMBER(\"CXO3 \", 23, \"GC\", 89.00D0, F), &\n & MEMBER(\"ALD2 \", 24, \"GC\", 44.00D0, F), &\n & MEMBER(\"XO2H \", 25, \"GC\", 87.10D0, F), &\n & MEMBER(\"PANX \", 26, \"GC\", 135.00D0, F), &\n & MEMBER(\"FORM \", 27, \"GC\", 30.00D0, F), &\n & MEMBER(\"MEPX \", 28, \"GC\", 48.00D0, F), &\n & MEMBER(\"MEOH \", 29, \"GC\", 32.00D0, F), &\n & MEMBER(\"ROOH \", 30, \"GC\", 90.10D0, F), &\n & MEMBER(\"XO2 \", 31, \"GC\", 87.10D0, F), &\n & MEMBER(\"XO2N \", 32, \"GC\", 87.10D0, F), &\n & MEMBER(\"NTR1 \", 35, \"GC\", 119.10D0, F), &\n & MEMBER(\"NTR2 \", 36, \"GC\", 135.10D0, F), &\n & MEMBER(\"FACD \", 37, \"GC\", 46.00D0, F), &\n & MEMBER(\"CO \", 38, \"GC\", 28.00D0, F), &\n & MEMBER(\"HCO3 \", 39, \"GC\", 63.00D0, F), &\n & MEMBER(\"ALDX \", 40, \"GC\", 58.10D0, F), &\n & MEMBER(\"GLYD \", 41, \"GC\", 60.00D0, F), &\n & MEMBER(\"GLY \", 42, \"GC\", 58.00D0, F), &\n & MEMBER(\"MGLY \", 43, \"GC\", 72.00D0, F), &\n & MEMBER(\"ETHA \", 44, \"GC\", 30.10D0, F), &\n & MEMBER(\"ETOH \", 45, \"GC\", 46.10D0, F), &\n & MEMBER(\"KET \", 46, \"GC\", 72.10D0, F), &\n & MEMBER(\"PAR \", 47, \"GC\", 14.00D0, F), &\n & MEMBER(\"ACET \", 48, \"GC\", 58.10D0, F), &\n & MEMBER(\"PRPA \", 49, \"GC\", 44.10D0, F), &\n & MEMBER(\"XPRP \", 34, \"GC\", 89.10D0, F), &\n & MEMBER(\"XPAR \", 33, \"GC\", 45.00D0, F), &\n & MEMBER(\"ROR \", 50, \"GC\", 29.00D0, F), &\n & MEMBER(\"ETHY \", 51, \"GC\", 26.00D0, F), &\n & MEMBER(\"ETH \", 52, \"GC\", 28.00D0, F), &\n & MEMBER(\"OLE \", 53, \"GC\", 42.10D0, F), &\n & MEMBER(\"IOLE \", 54, \"GC\", 56.10D0, F), &\n & MEMBER(\"ISOP \", 55, \"GC\", 68.10D0, F), &\n & MEMBER(\"ISO2 \", 56, \"GC\", 117.10D0, F), &\n & MEMBER(\"ISOPRXN \", 57, \"GC\", 68.10D0, F), &\n & MEMBER(\"ISPD \", 58, \"GC\", 70.10D0, F), &\n & MEMBER(\"INTR \", 59, \"GC\", 147.10D0, F), &\n & MEMBER(\"ISPX \", 60, \"GC\", 118.10D0, F), &\n & MEMBER(\"HPLD \", 61, \"GC\", 116.10D0, F), &\n & MEMBER(\"OPO3 \", 62, \"GC\", 115.00D0, F), &\n & MEMBER(\"EPOX \", 63, \"GC\", 118.10D0, F), &\n & MEMBER(\"EPX2 \", 65, \"GC\", 149.10D0, F), &\n & MEMBER(\"TERP \", 66, \"GC\", 136.20D0, F), &\n & MEMBER(\"TRPRXN \", 70, \"GC\", 136.20D0, F), &\n & MEMBER(\"TERPNRO2 \", 68, \"GC\", 197.00D0, F), &\n & MEMBER(\"APIN \", 67, \"GC\", 136.20D0, F), &\n & MEMBER(\"BENZENE \", 71, \"GC\", 78.10D0, F), &\n & MEMBER(\"CRES \", 72, \"GC\", 108.10D0, F), &\n & MEMBER(\"BZO2 \", 73, \"GC\", 159.10D0, F), &\n & MEMBER(\"OPEN \", 74, \"GC\", 84.00D0, F), &\n & MEMBER(\"BENZRO2 \", 75, \"GC\", 127.00D0, F), &\n & MEMBER(\"TOL \", 76, \"GC\", 92.10D0, F), &\n & MEMBER(\"TO2 \", 77, \"GC\", 173.10D0, F), &\n & MEMBER(\"TOLRO2 \", 78, \"GC\", 141.00D0, F), &\n & MEMBER(\"XOPN \", 79, \"GC\", 98.10D0, F), &\n & MEMBER(\"XYLMN \", 80, \"GC\", 106.20D0, F), &\n & MEMBER(\"XLO2 \", 81, \"GC\", 187.10D0, F), &\n & MEMBER(\"XYLRO2 \", 82, \"GC\", 155.00D0, F), &\n & MEMBER(\"NAPH \", 83, \"GC\", 128.20D0, F), &\n & MEMBER(\"PAHRO2 \", 84, \"GC\", 187.20D0, F), &\n & MEMBER(\"CRO \", 85, \"GC\", 107.10D0, F), &\n & MEMBER(\"CAT1 \", 86, \"GC\", 124.10D0, F), &\n & MEMBER(\"CRON \", 87, \"GC\", 153.10D0, F), &\n & MEMBER(\"OPAN \", 88, \"GC\", 161.00D0, F), &\n & MEMBER(\"ECH4 \", 89, \"GC\", 16.00D0, F), &\n & MEMBER(\"CL2 \", 90, \"GC\", 71.00D0, F), &\n & MEMBER(\"CL \", 91, \"GC\", 35.50D0, F), &\n & MEMBER(\"HOCL \", 92, \"GC\", 52.50D0, F), &\n & MEMBER(\"CLO \", 93, \"GC\", 51.50D0, F), &\n & MEMBER(\"FMCL \", 94, \"GC\", 64.50D0, F), &\n & MEMBER(\"HCL \", 95, \"GC\", 36.50D0, F), &\n & MEMBER(\"CLNO2 \", 96, \"GC\", 81.50D0, F), &\n & MEMBER(\"CLNO3 \", 97, \"GC\", 97.50D0, F), &\n & MEMBER(\"SVAVB2 \", 125, \"GC\", 179.00D0, F), &\n & MEMBER(\"SVAVB3 \", 126, \"GC\", 169.00D0, F), &\n & MEMBER(\"SVAVB4 \", 127, \"GC\", 158.00D0, F), &\n & MEMBER(\"SVAVB1 \", 124, \"GC\", 198.00D0, F), &\n & MEMBER(\"SESQ \", 98, \"GC\", 204.00D0, F), &\n & MEMBER(\"SESQRXN \", 99, \"GC\", 204.00D0, F), &\n & MEMBER(\"SOAALK \", 100, \"GC\", 112.00D0, F), &\n & MEMBER(\"H2NO3PIJ \", 101, \"GC\", 64.00D0, F), &\n & MEMBER(\"H2NO3PK \", 102, \"GC\", 64.00D0, F), &\n & MEMBER(\"ACLI \", 140, \"AE\", 35.50D0, T), &\n & MEMBER(\"ACLJ \", 141, \"AE\", 35.50D0, T), &\n & MEMBER(\"ACLK \", 142, \"AE\", 35.50D0, T), &\n & MEMBER(\"IEPOXP \", 64, \"GC\", 118.10D0, F), &\n & MEMBER(\"ASO4J \", 130, \"AE\", 96.00D0, T), &\n & MEMBER(\"AISO3J \", 175, \"AE\", 168.20D0, T), &\n & MEMBER(\"AGLYJ \", 178, \"AE\", 66.40D0, T), &\n & MEMBER(\"MTNO3 \", 69, \"GC\", 231.00D0, F), &\n & MEMBER(\"AMTNO3J \", 179, \"AE\", 231.00D0, T), &\n & MEMBER(\"AMTHYDJ \", 180, \"AE\", 168.00D0, T), &\n & MEMBER(\"AAVB2J \", 204, \"AE\", 179.00D0, T), &\n & MEMBER(\"AOLGAJ \", 176, \"AE\", 206.00D0, T), &\n & MEMBER(\"AAVB3J \", 205, \"AE\", 169.00D0, T), &\n & MEMBER(\"AAVB4J \", 206, \"AE\", 158.00D0, T), &\n & MEMBER(\"AISO1J \", 143, \"AE\", 132.00D0, T), &\n & MEMBER(\"AOLGBJ \", 177, \"AE\", 248.00D0, T), &\n & MEMBER(\"AISO2J \", 144, \"AE\", 133.00D0, T), &\n & MEMBER(\"ASQTJ \", 145, \"AE\", 273.00D0, T), &\n & MEMBER(\"APOCI \", 181, \"AE\", 220.00D0, T), &\n & MEMBER(\"APNCOMI \", 183, \"AE\", 220.00D0, T), &\n & MEMBER(\"APOCJ \", 182, \"AE\", 220.00D0, T), &\n & MEMBER(\"APNCOMJ \", 184, \"AE\", 220.00D0, T), &\n & MEMBER(\"PCVOC \", 113, \"GC\", 170.00D0, F), &\n & MEMBER(\"PCSOARXN \", 114, \"GC\", 170.00D0, F), &\n & MEMBER(\"VLVPO1 \", 103, \"GC\", 218.00D0, F), &\n & MEMBER(\"VSVPO1 \", 104, \"GC\", 230.00D0, F), &\n & MEMBER(\"VSVPO2 \", 105, \"GC\", 241.00D0, F), &\n & MEMBER(\"VSVPO3 \", 106, \"GC\", 253.00D0, F), &\n & MEMBER(\"VIVPO1 \", 107, \"GC\", 266.00D0, F), &\n & MEMBER(\"VLVOO1 \", 108, \"GC\", 136.00D0, F), &\n & MEMBER(\"VLVOO2 \", 109, \"GC\", 136.00D0, F), &\n & MEMBER(\"VSVOO2 \", 111, \"GC\", 135.00D0, F), &\n & MEMBER(\"VSVOO3 \", 112, \"GC\", 134.00D0, F), &\n & MEMBER(\"VSVOO1 \", 110, \"GC\", 135.00D0, F), &\n & MEMBER(\"FORM_PRIMARY \", 115, \"GC\", 30.00D0, F), &\n & MEMBER(\"ALD2_PRIMARY \", 116, \"GC\", 44.00D0, F), &\n & MEMBER(\"BUTADIENE13 \", 117, \"GC\", 54.00D0, F), &\n & MEMBER(\"ACROLEIN \", 118, \"GC\", 56.10D0, F), &\n & MEMBER(\"ACRO_PRIMARY \", 119, \"GC\", 56.10D0, F), &\n & MEMBER(\"TOLU \", 120, \"GC\", 92.00D0, F), &\n & MEMBER(\"HG \", 121, \"GC\", 200.60D0, F), &\n & MEMBER(\"HGIIAER \", 122, \"GC\", 200.60D0, F), &\n & MEMBER(\"HGIIGAS \", 123, \"GC\", 271.50D0, F) /)\n\n DATA CHEMISTRY_SPC( 1 ), SPECIES_MOLWT( 1 ) / 'NO2 ', 46.00D0 /\n DATA CHEMISTRY_SPC( 2 ), SPECIES_MOLWT( 2 ) / 'NO ', 30.00D0 /\n DATA CHEMISTRY_SPC( 3 ), SPECIES_MOLWT( 3 ) / 'O ', 16.00D0 /\n DATA CHEMISTRY_SPC( 4 ), SPECIES_MOLWT( 4 ) / 'O3 ', 48.00D0 /\n DATA CHEMISTRY_SPC( 5 ), SPECIES_MOLWT( 5 ) / 'NO3 ', 62.00D0 /\n DATA CHEMISTRY_SPC( 6 ), SPECIES_MOLWT( 6 ) / 'O1D ', 16.00D0 /\n DATA CHEMISTRY_SPC( 7 ), SPECIES_MOLWT( 7 ) / 'OH ', 17.00D0 /\n DATA CHEMISTRY_SPC( 8 ), SPECIES_MOLWT( 8 ) / 'HO2 ', 33.00D0 /\n DATA CHEMISTRY_SPC( 9 ), SPECIES_MOLWT( 9 ) / 'H2O2 ', 34.00D0 /\n DATA CHEMISTRY_SPC( 10 ), SPECIES_MOLWT( 10 ) / 'N2O5 ', 108.00D0 /\n DATA CHEMISTRY_SPC( 11 ), SPECIES_MOLWT( 11 ) / 'HNO3 ', 63.00D0 /\n DATA CHEMISTRY_SPC( 12 ), SPECIES_MOLWT( 12 ) / 'HONO ', 47.00D0 /\n DATA CHEMISTRY_SPC( 13 ), SPECIES_MOLWT( 13 ) / 'PNA ', 79.00D0 /\n DATA CHEMISTRY_SPC( 14 ), SPECIES_MOLWT( 14 ) / 'SO2 ', 64.00D0 /\n DATA CHEMISTRY_SPC( 15 ), SPECIES_MOLWT( 15 ) / 'SULF ', 98.00D0 /\n DATA CHEMISTRY_SPC( 16 ), SPECIES_MOLWT( 16 ) / 'SULRXN ', 98.00D0 /\n DATA CHEMISTRY_SPC( 17 ), SPECIES_MOLWT( 17 ) / 'C2O3 ', 75.00D0 /\n DATA CHEMISTRY_SPC( 18 ), SPECIES_MOLWT( 18 ) / 'MEO2 ', 47.00D0 /\n DATA CHEMISTRY_SPC( 19 ), SPECIES_MOLWT( 19 ) / 'RO2 ', 87.10D0 /\n DATA CHEMISTRY_SPC( 20 ), SPECIES_MOLWT( 20 ) / 'PAN ', 121.00D0 /\n DATA CHEMISTRY_SPC( 21 ), SPECIES_MOLWT( 21 ) / 'PACD ', 76.00D0 /\n DATA CHEMISTRY_SPC( 22 ), SPECIES_MOLWT( 22 ) / 'AACD ', 60.00D0 /\n DATA CHEMISTRY_SPC( 23 ), SPECIES_MOLWT( 23 ) / 'CXO3 ', 89.00D0 /\n DATA CHEMISTRY_SPC( 24 ), SPECIES_MOLWT( 24 ) / 'ALD2 ', 44.00D0 /\n DATA CHEMISTRY_SPC( 25 ), SPECIES_MOLWT( 25 ) / 'XO2H ', 87.10D0 /\n DATA CHEMISTRY_SPC( 26 ), SPECIES_MOLWT( 26 ) / 'PANX ', 135.00D0 /\n DATA CHEMISTRY_SPC( 27 ), SPECIES_MOLWT( 27 ) / 'FORM ', 30.00D0 /\n DATA CHEMISTRY_SPC( 28 ), SPECIES_MOLWT( 28 ) / 'MEPX ', 48.00D0 /\n DATA CHEMISTRY_SPC( 29 ), SPECIES_MOLWT( 29 ) / 'MEOH ', 32.00D0 /\n DATA CHEMISTRY_SPC( 30 ), SPECIES_MOLWT( 30 ) / 'ROOH ', 90.10D0 /\n DATA CHEMISTRY_SPC( 31 ), SPECIES_MOLWT( 31 ) / 'XO2 ', 87.10D0 /\n DATA CHEMISTRY_SPC( 32 ), SPECIES_MOLWT( 32 ) / 'XO2N ', 87.10D0 /\n DATA CHEMISTRY_SPC( 33 ), SPECIES_MOLWT( 33 ) / 'NTR1 ', 119.10D0 /\n DATA CHEMISTRY_SPC( 34 ), SPECIES_MOLWT( 34 ) / 'NTR2 ', 135.10D0 /\n DATA CHEMISTRY_SPC( 35 ), SPECIES_MOLWT( 35 ) / 'FACD ', 46.00D0 /\n DATA CHEMISTRY_SPC( 36 ), SPECIES_MOLWT( 36 ) / 'CO ', 28.00D0 /\n DATA CHEMISTRY_SPC( 37 ), SPECIES_MOLWT( 37 ) / 'HCO3 ', 63.00D0 /\n DATA CHEMISTRY_SPC( 38 ), SPECIES_MOLWT( 38 ) / 'ALDX ', 58.10D0 /\n DATA CHEMISTRY_SPC( 39 ), SPECIES_MOLWT( 39 ) / 'GLYD ', 60.00D0 /\n DATA CHEMISTRY_SPC( 40 ), SPECIES_MOLWT( 40 ) / 'GLY ', 58.00D0 /\n DATA CHEMISTRY_SPC( 41 ), SPECIES_MOLWT( 41 ) / 'MGLY ', 72.00D0 /\n DATA CHEMISTRY_SPC( 42 ), SPECIES_MOLWT( 42 ) / 'ETHA ', 30.10D0 /\n DATA CHEMISTRY_SPC( 43 ), SPECIES_MOLWT( 43 ) / 'ETOH ', 46.10D0 /\n DATA CHEMISTRY_SPC( 44 ), SPECIES_MOLWT( 44 ) / 'KET ', 72.10D0 /\n DATA CHEMISTRY_SPC( 45 ), SPECIES_MOLWT( 45 ) / 'PAR ', 14.00D0 /\n DATA CHEMISTRY_SPC( 46 ), SPECIES_MOLWT( 46 ) / 'ACET ', 58.10D0 /\n DATA CHEMISTRY_SPC( 47 ), SPECIES_MOLWT( 47 ) / 'PRPA ', 44.10D0 /\n DATA CHEMISTRY_SPC( 48 ), SPECIES_MOLWT( 48 ) / 'XPRP ', 89.10D0 /\n DATA CHEMISTRY_SPC( 49 ), SPECIES_MOLWT( 49 ) / 'XPAR ', 45.00D0 /\n DATA CHEMISTRY_SPC( 50 ), SPECIES_MOLWT( 50 ) / 'ROR ', 29.00D0 /\n DATA CHEMISTRY_SPC( 51 ), SPECIES_MOLWT( 51 ) / 'ETHY ', 26.00D0 /\n DATA CHEMISTRY_SPC( 52 ), SPECIES_MOLWT( 52 ) / 'ETH ', 28.00D0 /\n DATA CHEMISTRY_SPC( 53 ), SPECIES_MOLWT( 53 ) / 'OLE ', 42.10D0 /\n DATA CHEMISTRY_SPC( 54 ), SPECIES_MOLWT( 54 ) / 'IOLE ', 56.10D0 /\n DATA CHEMISTRY_SPC( 55 ), SPECIES_MOLWT( 55 ) / 'ISOP ', 68.10D0 /\n DATA CHEMISTRY_SPC( 56 ), SPECIES_MOLWT( 56 ) / 'ISO2 ', 117.10D0 /\n DATA CHEMISTRY_SPC( 57 ), SPECIES_MOLWT( 57 ) / 'ISOPRXN ', 68.10D0 /\n DATA CHEMISTRY_SPC( 58 ), SPECIES_MOLWT( 58 ) / 'ISPD ', 70.10D0 /\n DATA CHEMISTRY_SPC( 59 ), SPECIES_MOLWT( 59 ) / 'INTR ', 147.10D0 /\n DATA CHEMISTRY_SPC( 60 ), SPECIES_MOLWT( 60 ) / 'ISPX ', 118.10D0 /\n DATA CHEMISTRY_SPC( 61 ), SPECIES_MOLWT( 61 ) / 'HPLD ', 116.10D0 /\n DATA CHEMISTRY_SPC( 62 ), SPECIES_MOLWT( 62 ) / 'OPO3 ', 115.00D0 /\n DATA CHEMISTRY_SPC( 63 ), SPECIES_MOLWT( 63 ) / 'EPOX ', 118.10D0 /\n DATA CHEMISTRY_SPC( 64 ), SPECIES_MOLWT( 64 ) / 'EPX2 ', 149.10D0 /\n DATA CHEMISTRY_SPC( 65 ), SPECIES_MOLWT( 65 ) / 'TERP ', 136.20D0 /\n DATA CHEMISTRY_SPC( 66 ), SPECIES_MOLWT( 66 ) / 'TRPRXN ', 136.20D0 /\n DATA CHEMISTRY_SPC( 67 ), SPECIES_MOLWT( 67 ) / 'TERPNRO2 ', 197.00D0 /\n DATA CHEMISTRY_SPC( 68 ), SPECIES_MOLWT( 68 ) / 'APIN ', 136.20D0 /\n DATA CHEMISTRY_SPC( 69 ), SPECIES_MOLWT( 69 ) / 'BENZENE ', 78.10D0 /\n DATA CHEMISTRY_SPC( 70 ), SPECIES_MOLWT( 70 ) / 'CRES ', 108.10D0 /\n DATA CHEMISTRY_SPC( 71 ), SPECIES_MOLWT( 71 ) / 'BZO2 ', 159.10D0 /\n DATA CHEMISTRY_SPC( 72 ), SPECIES_MOLWT( 72 ) / 'OPEN ', 84.00D0 /\n DATA CHEMISTRY_SPC( 73 ), SPECIES_MOLWT( 73 ) / 'BENZRO2 ', 127.00D0 /\n DATA CHEMISTRY_SPC( 74 ), SPECIES_MOLWT( 74 ) / 'TOL ', 92.10D0 /\n DATA CHEMISTRY_SPC( 75 ), SPECIES_MOLWT( 75 ) / 'TO2 ', 173.10D0 /\n DATA CHEMISTRY_SPC( 76 ), SPECIES_MOLWT( 76 ) / 'TOLRO2 ', 141.00D0 /\n DATA CHEMISTRY_SPC( 77 ), SPECIES_MOLWT( 77 ) / 'XOPN ', 98.10D0 /\n DATA CHEMISTRY_SPC( 78 ), SPECIES_MOLWT( 78 ) / 'XYLMN ', 106.20D0 /\n DATA CHEMISTRY_SPC( 79 ), SPECIES_MOLWT( 79 ) / 'XLO2 ', 187.10D0 /\n DATA CHEMISTRY_SPC( 80 ), SPECIES_MOLWT( 80 ) / 'XYLRO2 ', 155.00D0 /\n DATA CHEMISTRY_SPC( 81 ), SPECIES_MOLWT( 81 ) / 'NAPH ', 128.20D0 /\n DATA CHEMISTRY_SPC( 82 ), SPECIES_MOLWT( 82 ) / 'PAHRO2 ', 187.20D0 /\n DATA CHEMISTRY_SPC( 83 ), SPECIES_MOLWT( 83 ) / 'CRO ', 107.10D0 /\n DATA CHEMISTRY_SPC( 84 ), SPECIES_MOLWT( 84 ) / 'CAT1 ', 124.10D0 /\n DATA CHEMISTRY_SPC( 85 ), SPECIES_MOLWT( 85 ) / 'CRON ', 153.10D0 /\n DATA CHEMISTRY_SPC( 86 ), SPECIES_MOLWT( 86 ) / 'OPAN ', 161.00D0 /\n DATA CHEMISTRY_SPC( 87 ), SPECIES_MOLWT( 87 ) / 'ECH4 ', 16.00D0 /\n DATA CHEMISTRY_SPC( 88 ), SPECIES_MOLWT( 88 ) / 'CL2 ', 71.00D0 /\n DATA CHEMISTRY_SPC( 89 ), SPECIES_MOLWT( 89 ) / 'CL ', 35.50D0 /\n DATA CHEMISTRY_SPC( 90 ), SPECIES_MOLWT( 90 ) / 'HOCL ', 52.50D0 /\n DATA CHEMISTRY_SPC( 91 ), SPECIES_MOLWT( 91 ) / 'CLO ', 51.50D0 /\n DATA CHEMISTRY_SPC( 92 ), SPECIES_MOLWT( 92 ) / 'FMCL ', 64.50D0 /\n DATA CHEMISTRY_SPC( 93 ), SPECIES_MOLWT( 93 ) / 'HCL ', 36.50D0 /\n DATA CHEMISTRY_SPC( 94 ), SPECIES_MOLWT( 94 ) / 'CLNO2 ', 81.50D0 /\n DATA CHEMISTRY_SPC( 95 ), SPECIES_MOLWT( 95 ) / 'CLNO3 ', 97.50D0 /\n DATA CHEMISTRY_SPC( 96 ), SPECIES_MOLWT( 96 ) / 'SVAVB2 ', 179.00D0 /\n DATA CHEMISTRY_SPC( 97 ), SPECIES_MOLWT( 97 ) / 'SVAVB3 ', 169.00D0 /\n DATA CHEMISTRY_SPC( 98 ), SPECIES_MOLWT( 98 ) / 'SVAVB4 ', 158.00D0 /\n DATA CHEMISTRY_SPC( 99 ), SPECIES_MOLWT( 99 ) / 'SVAVB1 ', 198.00D0 /\n DATA CHEMISTRY_SPC( 100 ), SPECIES_MOLWT( 100 ) / 'SESQ ', 204.00D0 /\n DATA CHEMISTRY_SPC( 101 ), SPECIES_MOLWT( 101 ) / 'SESQRXN ', 204.00D0 /\n DATA CHEMISTRY_SPC( 102 ), SPECIES_MOLWT( 102 ) / 'SOAALK ', 112.00D0 /\n DATA CHEMISTRY_SPC( 103 ), SPECIES_MOLWT( 103 ) / 'H2NO3PIJ ', 64.00D0 /\n DATA CHEMISTRY_SPC( 104 ), SPECIES_MOLWT( 104 ) / 'H2NO3PK ', 64.00D0 /\n DATA CHEMISTRY_SPC( 105 ), SPECIES_MOLWT( 105 ) / 'ACLI ', 35.50D0 /\n DATA CHEMISTRY_SPC( 106 ), SPECIES_MOLWT( 106 ) / 'ACLJ ', 35.50D0 /\n DATA CHEMISTRY_SPC( 107 ), SPECIES_MOLWT( 107 ) / 'ACLK ', 35.50D0 /\n DATA CHEMISTRY_SPC( 108 ), SPECIES_MOLWT( 108 ) / 'IEPOXP ', 118.10D0 /\n DATA CHEMISTRY_SPC( 109 ), SPECIES_MOLWT( 109 ) / 'ASO4J ', 96.00D0 /\n DATA CHEMISTRY_SPC( 110 ), SPECIES_MOLWT( 110 ) / 'AISO3J ', 168.20D0 /\n DATA CHEMISTRY_SPC( 111 ), SPECIES_MOLWT( 111 ) / 'AGLYJ ', 66.40D0 /\n DATA CHEMISTRY_SPC( 112 ), SPECIES_MOLWT( 112 ) / 'MTNO3 ', 231.00D0 /\n DATA CHEMISTRY_SPC( 113 ), SPECIES_MOLWT( 113 ) / 'AMTNO3J ', 231.00D0 /\n DATA CHEMISTRY_SPC( 114 ), SPECIES_MOLWT( 114 ) / 'AMTHYDJ ', 168.00D0 /\n DATA CHEMISTRY_SPC( 115 ), SPECIES_MOLWT( 115 ) / 'AAVB2J ', 179.00D0 /\n DATA CHEMISTRY_SPC( 116 ), SPECIES_MOLWT( 116 ) / 'AOLGAJ ', 206.00D0 /\n DATA CHEMISTRY_SPC( 117 ), SPECIES_MOLWT( 117 ) / 'AAVB3J ', 169.00D0 /\n DATA CHEMISTRY_SPC( 118 ), SPECIES_MOLWT( 118 ) / 'AAVB4J ', 158.00D0 /\n DATA CHEMISTRY_SPC( 119 ), SPECIES_MOLWT( 119 ) / 'AISO1J ', 132.00D0 /\n DATA CHEMISTRY_SPC( 120 ), SPECIES_MOLWT( 120 ) / 'AOLGBJ ', 248.00D0 /\n DATA CHEMISTRY_SPC( 121 ), SPECIES_MOLWT( 121 ) / 'AISO2J ', 133.00D0 /\n DATA CHEMISTRY_SPC( 122 ), SPECIES_MOLWT( 122 ) / 'ASQTJ ', 273.00D0 /\n DATA CHEMISTRY_SPC( 123 ), SPECIES_MOLWT( 123 ) / 'APOCI ', 220.00D0 /\n DATA CHEMISTRY_SPC( 124 ), SPECIES_MOLWT( 124 ) / 'APNCOMI ', 220.00D0 /\n DATA CHEMISTRY_SPC( 125 ), SPECIES_MOLWT( 125 ) / 'APOCJ ', 220.00D0 /\n DATA CHEMISTRY_SPC( 126 ), SPECIES_MOLWT( 126 ) / 'APNCOMJ ', 220.00D0 /\n DATA CHEMISTRY_SPC( 127 ), SPECIES_MOLWT( 127 ) / 'PCVOC ', 170.00D0 /\n DATA CHEMISTRY_SPC( 128 ), SPECIES_MOLWT( 128 ) / 'PCSOARXN ', 170.00D0 /\n DATA CHEMISTRY_SPC( 129 ), SPECIES_MOLWT( 129 ) / 'VLVPO1 ', 218.00D0 /\n DATA CHEMISTRY_SPC( 130 ), SPECIES_MOLWT( 130 ) / 'VSVPO1 ', 230.00D0 /\n DATA CHEMISTRY_SPC( 131 ), SPECIES_MOLWT( 131 ) / 'VSVPO2 ', 241.00D0 /\n DATA CHEMISTRY_SPC( 132 ), SPECIES_MOLWT( 132 ) / 'VSVPO3 ', 253.00D0 /\n DATA CHEMISTRY_SPC( 133 ), SPECIES_MOLWT( 133 ) / 'VIVPO1 ', 266.00D0 /\n DATA CHEMISTRY_SPC( 134 ), SPECIES_MOLWT( 134 ) / 'VLVOO1 ', 136.00D0 /\n DATA CHEMISTRY_SPC( 135 ), SPECIES_MOLWT( 135 ) / 'VLVOO2 ', 136.00D0 /\n DATA CHEMISTRY_SPC( 136 ), SPECIES_MOLWT( 136 ) / 'VSVOO2 ', 135.00D0 /\n DATA CHEMISTRY_SPC( 137 ), SPECIES_MOLWT( 137 ) / 'VSVOO3 ', 134.00D0 /\n DATA CHEMISTRY_SPC( 138 ), SPECIES_MOLWT( 138 ) / 'VSVOO1 ', 135.00D0 /\n DATA CHEMISTRY_SPC( 139 ), SPECIES_MOLWT( 139 ) / 'FORM_PRIMARY ', 30.00D0 /\n DATA CHEMISTRY_SPC( 140 ), SPECIES_MOLWT( 140 ) / 'ALD2_PRIMARY ', 44.00D0 /\n DATA CHEMISTRY_SPC( 141 ), SPECIES_MOLWT( 141 ) / 'BUTADIENE13 ', 54.00D0 /\n DATA CHEMISTRY_SPC( 142 ), SPECIES_MOLWT( 142 ) / 'ACROLEIN ', 56.10D0 /\n DATA CHEMISTRY_SPC( 143 ), SPECIES_MOLWT( 143 ) / 'ACRO_PRIMARY ', 56.10D0 /\n DATA CHEMISTRY_SPC( 144 ), SPECIES_MOLWT( 144 ) / 'TOLU ', 92.00D0 /\n DATA CHEMISTRY_SPC( 145 ), SPECIES_MOLWT( 145 ) / 'HG ', 200.60D0 /\n DATA CHEMISTRY_SPC( 146 ), SPECIES_MOLWT( 146 ) / 'HGIIAER ', 200.60D0 /\n DATA CHEMISTRY_SPC( 147 ), SPECIES_MOLWT( 147 ) / 'HGIIGAS ', 271.50D0 /\n\n\n DATA CGRID_INDEX( 1 ), SPECIES_TYPE( 1 ), CONVERT_CONC( 1 ) / 1, 'GC', F / ! NO2\n DATA CGRID_INDEX( 2 ), SPECIES_TYPE( 2 ), CONVERT_CONC( 2 ) / 2, 'GC', F / ! NO\n DATA CGRID_INDEX( 3 ), SPECIES_TYPE( 3 ), CONVERT_CONC( 3 ) / 3, 'GC', F / ! O\n DATA CGRID_INDEX( 4 ), SPECIES_TYPE( 4 ), CONVERT_CONC( 4 ) / 4, 'GC', F / ! O3\n DATA CGRID_INDEX( 5 ), SPECIES_TYPE( 5 ), CONVERT_CONC( 5 ) / 5, 'GC', F / ! NO3\n DATA CGRID_INDEX( 6 ), SPECIES_TYPE( 6 ), CONVERT_CONC( 6 ) / 6, 'GC', F / ! O1D\n DATA CGRID_INDEX( 7 ), SPECIES_TYPE( 7 ), CONVERT_CONC( 7 ) / 7, 'GC', F / ! OH\n DATA CGRID_INDEX( 8 ), SPECIES_TYPE( 8 ), CONVERT_CONC( 8 ) / 8, 'GC', F / ! HO2\n DATA CGRID_INDEX( 9 ), SPECIES_TYPE( 9 ), CONVERT_CONC( 9 ) / 9, 'GC', F / ! H2O2\n DATA CGRID_INDEX( 10 ), SPECIES_TYPE( 10 ), CONVERT_CONC( 10 ) / 10, 'GC', F / ! N2O5\n DATA CGRID_INDEX( 11 ), SPECIES_TYPE( 11 ), CONVERT_CONC( 11 ) / 11, 'GC', F / ! HNO3\n DATA CGRID_INDEX( 12 ), SPECIES_TYPE( 12 ), CONVERT_CONC( 12 ) / 12, 'GC', F / ! HONO\n DATA CGRID_INDEX( 13 ), SPECIES_TYPE( 13 ), CONVERT_CONC( 13 ) / 13, 'GC', F / ! PNA\n DATA CGRID_INDEX( 14 ), SPECIES_TYPE( 14 ), CONVERT_CONC( 14 ) / 14, 'GC', F / ! SO2\n DATA CGRID_INDEX( 15 ), SPECIES_TYPE( 15 ), CONVERT_CONC( 15 ) / 15, 'GC', F / ! SULF\n DATA CGRID_INDEX( 16 ), SPECIES_TYPE( 16 ), CONVERT_CONC( 16 ) / 16, 'GC', F / ! SULRXN\n DATA CGRID_INDEX( 17 ), SPECIES_TYPE( 17 ), CONVERT_CONC( 17 ) / 17, 'GC', F / ! C2O3\n DATA CGRID_INDEX( 18 ), SPECIES_TYPE( 18 ), CONVERT_CONC( 18 ) / 18, 'GC', F / ! MEO2\n DATA CGRID_INDEX( 19 ), SPECIES_TYPE( 19 ), CONVERT_CONC( 19 ) / 19, 'GC', F / ! RO2\n DATA CGRID_INDEX( 20 ), SPECIES_TYPE( 20 ), CONVERT_CONC( 20 ) / 20, 'GC', F / ! PAN\n DATA CGRID_INDEX( 21 ), SPECIES_TYPE( 21 ), CONVERT_CONC( 21 ) / 21, 'GC', F / ! PACD\n DATA CGRID_INDEX( 22 ), SPECIES_TYPE( 22 ), CONVERT_CONC( 22 ) / 22, 'GC', F / ! AACD\n DATA CGRID_INDEX( 23 ), SPECIES_TYPE( 23 ), CONVERT_CONC( 23 ) / 23, 'GC', F / ! CXO3\n DATA CGRID_INDEX( 24 ), SPECIES_TYPE( 24 ), CONVERT_CONC( 24 ) / 24, 'GC', F / ! ALD2\n DATA CGRID_INDEX( 25 ), SPECIES_TYPE( 25 ), CONVERT_CONC( 25 ) / 25, 'GC', F / ! XO2H\n DATA CGRID_INDEX( 26 ), SPECIES_TYPE( 26 ), CONVERT_CONC( 26 ) / 26, 'GC', F / ! PANX\n DATA CGRID_INDEX( 27 ), SPECIES_TYPE( 27 ), CONVERT_CONC( 27 ) / 27, 'GC', F / ! FORM\n DATA CGRID_INDEX( 28 ), SPECIES_TYPE( 28 ), CONVERT_CONC( 28 ) / 28, 'GC', F / ! MEPX\n DATA CGRID_INDEX( 29 ), SPECIES_TYPE( 29 ), CONVERT_CONC( 29 ) / 29, 'GC', F / ! MEOH\n DATA CGRID_INDEX( 30 ), SPECIES_TYPE( 30 ), CONVERT_CONC( 30 ) / 30, 'GC', F / ! ROOH\n DATA CGRID_INDEX( 31 ), SPECIES_TYPE( 31 ), CONVERT_CONC( 31 ) / 31, 'GC', F / ! XO2\n DATA CGRID_INDEX( 32 ), SPECIES_TYPE( 32 ), CONVERT_CONC( 32 ) / 32, 'GC', F / ! XO2N\n DATA CGRID_INDEX( 33 ), SPECIES_TYPE( 33 ), CONVERT_CONC( 33 ) / 35, 'GC', F / ! NTR1\n DATA CGRID_INDEX( 34 ), SPECIES_TYPE( 34 ), CONVERT_CONC( 34 ) / 36, 'GC', F / ! NTR2\n DATA CGRID_INDEX( 35 ), SPECIES_TYPE( 35 ), CONVERT_CONC( 35 ) / 37, 'GC', F / ! FACD\n DATA CGRID_INDEX( 36 ), SPECIES_TYPE( 36 ), CONVERT_CONC( 36 ) / 38, 'GC', F / ! CO\n DATA CGRID_INDEX( 37 ), SPECIES_TYPE( 37 ), CONVERT_CONC( 37 ) / 39, 'GC', F / ! HCO3\n DATA CGRID_INDEX( 38 ), SPECIES_TYPE( 38 ), CONVERT_CONC( 38 ) / 40, 'GC', F / ! ALDX\n DATA CGRID_INDEX( 39 ), SPECIES_TYPE( 39 ), CONVERT_CONC( 39 ) / 41, 'GC', F / ! GLYD\n DATA CGRID_INDEX( 40 ), SPECIES_TYPE( 40 ), CONVERT_CONC( 40 ) / 42, 'GC', F / ! GLY\n DATA CGRID_INDEX( 41 ), SPECIES_TYPE( 41 ), CONVERT_CONC( 41 ) / 43, 'GC', F / ! MGLY\n DATA CGRID_INDEX( 42 ), SPECIES_TYPE( 42 ), CONVERT_CONC( 42 ) / 44, 'GC', F / ! ETHA\n DATA CGRID_INDEX( 43 ), SPECIES_TYPE( 43 ), CONVERT_CONC( 43 ) / 45, 'GC', F / ! ETOH\n DATA CGRID_INDEX( 44 ), SPECIES_TYPE( 44 ), CONVERT_CONC( 44 ) / 46, 'GC', F / ! KET\n DATA CGRID_INDEX( 45 ), SPECIES_TYPE( 45 ), CONVERT_CONC( 45 ) / 47, 'GC', F / ! PAR\n DATA CGRID_INDEX( 46 ), SPECIES_TYPE( 46 ), CONVERT_CONC( 46 ) / 48, 'GC', F / ! ACET\n DATA CGRID_INDEX( 47 ), SPECIES_TYPE( 47 ), CONVERT_CONC( 47 ) / 49, 'GC', F / ! PRPA\n DATA CGRID_INDEX( 48 ), SPECIES_TYPE( 48 ), CONVERT_CONC( 48 ) / 34, 'GC', F / ! XPRP\n DATA CGRID_INDEX( 49 ), SPECIES_TYPE( 49 ), CONVERT_CONC( 49 ) / 33, 'GC', F / ! XPAR\n DATA CGRID_INDEX( 50 ), SPECIES_TYPE( 50 ), CONVERT_CONC( 50 ) / 50, 'GC', F / ! ROR\n DATA CGRID_INDEX( 51 ), SPECIES_TYPE( 51 ), CONVERT_CONC( 51 ) / 51, 'GC', F / ! ETHY\n DATA CGRID_INDEX( 52 ), SPECIES_TYPE( 52 ), CONVERT_CONC( 52 ) / 52, 'GC', F / ! ETH\n DATA CGRID_INDEX( 53 ), SPECIES_TYPE( 53 ), CONVERT_CONC( 53 ) / 53, 'GC', F / ! OLE\n DATA CGRID_INDEX( 54 ), SPECIES_TYPE( 54 ), CONVERT_CONC( 54 ) / 54, 'GC', F / ! IOLE\n DATA CGRID_INDEX( 55 ), SPECIES_TYPE( 55 ), CONVERT_CONC( 55 ) / 55, 'GC', F / ! ISOP\n DATA CGRID_INDEX( 56 ), SPECIES_TYPE( 56 ), CONVERT_CONC( 56 ) / 56, 'GC', F / ! ISO2\n DATA CGRID_INDEX( 57 ), SPECIES_TYPE( 57 ), CONVERT_CONC( 57 ) / 57, 'GC', F / ! ISOPRXN\n DATA CGRID_INDEX( 58 ), SPECIES_TYPE( 58 ), CONVERT_CONC( 58 ) / 58, 'GC', F / ! ISPD\n DATA CGRID_INDEX( 59 ), SPECIES_TYPE( 59 ), CONVERT_CONC( 59 ) / 59, 'GC', F / ! INTR\n DATA CGRID_INDEX( 60 ), SPECIES_TYPE( 60 ), CONVERT_CONC( 60 ) / 60, 'GC', F / ! ISPX\n DATA CGRID_INDEX( 61 ), SPECIES_TYPE( 61 ), CONVERT_CONC( 61 ) / 61, 'GC', F / ! HPLD\n DATA CGRID_INDEX( 62 ), SPECIES_TYPE( 62 ), CONVERT_CONC( 62 ) / 62, 'GC', F / ! OPO3\n DATA CGRID_INDEX( 63 ), SPECIES_TYPE( 63 ), CONVERT_CONC( 63 ) / 63, 'GC', F / ! EPOX\n DATA CGRID_INDEX( 64 ), SPECIES_TYPE( 64 ), CONVERT_CONC( 64 ) / 65, 'GC', F / ! EPX2\n DATA CGRID_INDEX( 65 ), SPECIES_TYPE( 65 ), CONVERT_CONC( 65 ) / 66, 'GC', F / ! TERP\n DATA CGRID_INDEX( 66 ), SPECIES_TYPE( 66 ), CONVERT_CONC( 66 ) / 70, 'GC', F / ! TRPRXN\n DATA CGRID_INDEX( 67 ), SPECIES_TYPE( 67 ), CONVERT_CONC( 67 ) / 68, 'GC', F / ! TERPNRO2\n DATA CGRID_INDEX( 68 ), SPECIES_TYPE( 68 ), CONVERT_CONC( 68 ) / 67, 'GC', F / ! APIN\n DATA CGRID_INDEX( 69 ), SPECIES_TYPE( 69 ), CONVERT_CONC( 69 ) / 71, 'GC', F / ! BENZENE\n DATA CGRID_INDEX( 70 ), SPECIES_TYPE( 70 ), CONVERT_CONC( 70 ) / 72, 'GC', F / ! CRES\n DATA CGRID_INDEX( 71 ), SPECIES_TYPE( 71 ), CONVERT_CONC( 71 ) / 73, 'GC', F / ! BZO2\n DATA CGRID_INDEX( 72 ), SPECIES_TYPE( 72 ), CONVERT_CONC( 72 ) / 74, 'GC', F / ! OPEN\n DATA CGRID_INDEX( 73 ), SPECIES_TYPE( 73 ), CONVERT_CONC( 73 ) / 75, 'GC', F / ! BENZRO2\n DATA CGRID_INDEX( 74 ), SPECIES_TYPE( 74 ), CONVERT_CONC( 74 ) / 76, 'GC', F / ! TOL\n DATA CGRID_INDEX( 75 ), SPECIES_TYPE( 75 ), CONVERT_CONC( 75 ) / 77, 'GC', F / ! TO2\n DATA CGRID_INDEX( 76 ), SPECIES_TYPE( 76 ), CONVERT_CONC( 76 ) / 78, 'GC', F / ! TOLRO2\n DATA CGRID_INDEX( 77 ), SPECIES_TYPE( 77 ), CONVERT_CONC( 77 ) / 79, 'GC', F / ! XOPN\n DATA CGRID_INDEX( 78 ), SPECIES_TYPE( 78 ), CONVERT_CONC( 78 ) / 80, 'GC', F / ! XYLMN\n DATA CGRID_INDEX( 79 ), SPECIES_TYPE( 79 ), CONVERT_CONC( 79 ) / 81, 'GC', F / ! XLO2\n DATA CGRID_INDEX( 80 ), SPECIES_TYPE( 80 ), CONVERT_CONC( 80 ) / 82, 'GC', F / ! XYLRO2\n DATA CGRID_INDEX( 81 ), SPECIES_TYPE( 81 ), CONVERT_CONC( 81 ) / 83, 'GC', F / ! NAPH\n DATA CGRID_INDEX( 82 ), SPECIES_TYPE( 82 ), CONVERT_CONC( 82 ) / 84, 'GC', F / ! PAHRO2\n DATA CGRID_INDEX( 83 ), SPECIES_TYPE( 83 ), CONVERT_CONC( 83 ) / 85, 'GC', F / ! CRO\n DATA CGRID_INDEX( 84 ), SPECIES_TYPE( 84 ), CONVERT_CONC( 84 ) / 86, 'GC', F / ! CAT1\n DATA CGRID_INDEX( 85 ), SPECIES_TYPE( 85 ), CONVERT_CONC( 85 ) / 87, 'GC', F / ! CRON\n DATA CGRID_INDEX( 86 ), SPECIES_TYPE( 86 ), CONVERT_CONC( 86 ) / 88, 'GC', F / ! OPAN\n DATA CGRID_INDEX( 87 ), SPECIES_TYPE( 87 ), CONVERT_CONC( 87 ) / 89, 'GC', F / ! ECH4\n DATA CGRID_INDEX( 88 ), SPECIES_TYPE( 88 ), CONVERT_CONC( 88 ) / 90, 'GC', F / ! CL2\n DATA CGRID_INDEX( 89 ), SPECIES_TYPE( 89 ), CONVERT_CONC( 89 ) / 91, 'GC', F / ! CL\n DATA CGRID_INDEX( 90 ), SPECIES_TYPE( 90 ), CONVERT_CONC( 90 ) / 92, 'GC', F / ! HOCL\n DATA CGRID_INDEX( 91 ), SPECIES_TYPE( 91 ), CONVERT_CONC( 91 ) / 93, 'GC', F / ! CLO\n DATA CGRID_INDEX( 92 ), SPECIES_TYPE( 92 ), CONVERT_CONC( 92 ) / 94, 'GC', F / ! FMCL\n DATA CGRID_INDEX( 93 ), SPECIES_TYPE( 93 ), CONVERT_CONC( 93 ) / 95, 'GC', F / ! HCL\n DATA CGRID_INDEX( 94 ), SPECIES_TYPE( 94 ), CONVERT_CONC( 94 ) / 96, 'GC', F / ! CLNO2\n DATA CGRID_INDEX( 95 ), SPECIES_TYPE( 95 ), CONVERT_CONC( 95 ) / 97, 'GC', F / ! CLNO3\n DATA CGRID_INDEX( 96 ), SPECIES_TYPE( 96 ), CONVERT_CONC( 96 ) / 125, 'GC', F / ! SVAVB2\n DATA CGRID_INDEX( 97 ), SPECIES_TYPE( 97 ), CONVERT_CONC( 97 ) / 126, 'GC', F / ! SVAVB3\n DATA CGRID_INDEX( 98 ), SPECIES_TYPE( 98 ), CONVERT_CONC( 98 ) / 127, 'GC', F / ! SVAVB4\n DATA CGRID_INDEX( 99 ), SPECIES_TYPE( 99 ), CONVERT_CONC( 99 ) / 124, 'GC', F / ! SVAVB1\n DATA CGRID_INDEX( 100 ), SPECIES_TYPE( 100 ), CONVERT_CONC( 100 ) / 98, 'GC', F / ! SESQ\n DATA CGRID_INDEX( 101 ), SPECIES_TYPE( 101 ), CONVERT_CONC( 101 ) / 99, 'GC', F / ! SESQRXN\n DATA CGRID_INDEX( 102 ), SPECIES_TYPE( 102 ), CONVERT_CONC( 102 ) / 100, 'GC', F / ! SOAALK\n DATA CGRID_INDEX( 103 ), SPECIES_TYPE( 103 ), CONVERT_CONC( 103 ) / 101, 'GC', F / ! H2NO3PIJ\n DATA CGRID_INDEX( 104 ), SPECIES_TYPE( 104 ), CONVERT_CONC( 104 ) / 102, 'GC', F / ! H2NO3PK\n DATA CGRID_INDEX( 105 ), SPECIES_TYPE( 105 ), CONVERT_CONC( 105 ) / 140, 'AE', T / ! ACLI\n DATA CGRID_INDEX( 106 ), SPECIES_TYPE( 106 ), CONVERT_CONC( 106 ) / 141, 'AE', T / ! ACLJ\n DATA CGRID_INDEX( 107 ), SPECIES_TYPE( 107 ), CONVERT_CONC( 107 ) / 142, 'AE', T / ! ACLK\n DATA CGRID_INDEX( 108 ), SPECIES_TYPE( 108 ), CONVERT_CONC( 108 ) / 64, 'GC', F / ! IEPOXP\n DATA CGRID_INDEX( 109 ), SPECIES_TYPE( 109 ), CONVERT_CONC( 109 ) / 130, 'AE', T / ! ASO4J\n DATA CGRID_INDEX( 110 ), SPECIES_TYPE( 110 ), CONVERT_CONC( 110 ) / 175, 'AE', T / ! AISO3J\n DATA CGRID_INDEX( 111 ), SPECIES_TYPE( 111 ), CONVERT_CONC( 111 ) / 178, 'AE', T / ! AGLYJ\n DATA CGRID_INDEX( 112 ), SPECIES_TYPE( 112 ), CONVERT_CONC( 112 ) / 69, 'GC', F / ! MTNO3\n DATA CGRID_INDEX( 113 ), SPECIES_TYPE( 113 ), CONVERT_CONC( 113 ) / 179, 'AE', T / ! AMTNO3J\n DATA CGRID_INDEX( 114 ), SPECIES_TYPE( 114 ), CONVERT_CONC( 114 ) / 180, 'AE', T / ! AMTHYDJ\n DATA CGRID_INDEX( 115 ), SPECIES_TYPE( 115 ), CONVERT_CONC( 115 ) / 204, 'AE', T / ! AAVB2J\n DATA CGRID_INDEX( 116 ), SPECIES_TYPE( 116 ), CONVERT_CONC( 116 ) / 176, 'AE', T / ! AOLGAJ\n DATA CGRID_INDEX( 117 ), SPECIES_TYPE( 117 ), CONVERT_CONC( 117 ) / 205, 'AE', T / ! AAVB3J\n DATA CGRID_INDEX( 118 ), SPECIES_TYPE( 118 ), CONVERT_CONC( 118 ) / 206, 'AE', T / ! AAVB4J\n DATA CGRID_INDEX( 119 ), SPECIES_TYPE( 119 ), CONVERT_CONC( 119 ) / 143, 'AE', T / ! AISO1J\n DATA CGRID_INDEX( 120 ), SPECIES_TYPE( 120 ), CONVERT_CONC( 120 ) / 177, 'AE', T / ! AOLGBJ\n DATA CGRID_INDEX( 121 ), SPECIES_TYPE( 121 ), CONVERT_CONC( 121 ) / 144, 'AE', T / ! AISO2J\n DATA CGRID_INDEX( 122 ), SPECIES_TYPE( 122 ), CONVERT_CONC( 122 ) / 145, 'AE', T / ! ASQTJ\n DATA CGRID_INDEX( 123 ), SPECIES_TYPE( 123 ), CONVERT_CONC( 123 ) / 181, 'AE', T / ! APOCI\n DATA CGRID_INDEX( 124 ), SPECIES_TYPE( 124 ), CONVERT_CONC( 124 ) / 183, 'AE', T / ! APNCOMI\n DATA CGRID_INDEX( 125 ), SPECIES_TYPE( 125 ), CONVERT_CONC( 125 ) / 182, 'AE', T / ! APOCJ\n DATA CGRID_INDEX( 126 ), SPECIES_TYPE( 126 ), CONVERT_CONC( 126 ) / 184, 'AE', T / ! APNCOMJ\n DATA CGRID_INDEX( 127 ), SPECIES_TYPE( 127 ), CONVERT_CONC( 127 ) / 113, 'GC', F / ! PCVOC\n DATA CGRID_INDEX( 128 ), SPECIES_TYPE( 128 ), CONVERT_CONC( 128 ) / 114, 'GC', F / ! PCSOARXN\n DATA CGRID_INDEX( 129 ), SPECIES_TYPE( 129 ), CONVERT_CONC( 129 ) / 103, 'GC', F / ! VLVPO1\n DATA CGRID_INDEX( 130 ), SPECIES_TYPE( 130 ), CONVERT_CONC( 130 ) / 104, 'GC', F / ! VSVPO1\n DATA CGRID_INDEX( 131 ), SPECIES_TYPE( 131 ), CONVERT_CONC( 131 ) / 105, 'GC', F / ! VSVPO2\n DATA CGRID_INDEX( 132 ), SPECIES_TYPE( 132 ), CONVERT_CONC( 132 ) / 106, 'GC', F / ! VSVPO3\n DATA CGRID_INDEX( 133 ), SPECIES_TYPE( 133 ), CONVERT_CONC( 133 ) / 107, 'GC', F / ! VIVPO1\n DATA CGRID_INDEX( 134 ), SPECIES_TYPE( 134 ), CONVERT_CONC( 134 ) / 108, 'GC', F / ! VLVOO1\n DATA CGRID_INDEX( 135 ), SPECIES_TYPE( 135 ), CONVERT_CONC( 135 ) / 109, 'GC', F / ! VLVOO2\n DATA CGRID_INDEX( 136 ), SPECIES_TYPE( 136 ), CONVERT_CONC( 136 ) / 111, 'GC', F / ! VSVOO2\n DATA CGRID_INDEX( 137 ), SPECIES_TYPE( 137 ), CONVERT_CONC( 137 ) / 112, 'GC', F / ! VSVOO3\n DATA CGRID_INDEX( 138 ), SPECIES_TYPE( 138 ), CONVERT_CONC( 138 ) / 110, 'GC', F / ! VSVOO1\n DATA CGRID_INDEX( 139 ), SPECIES_TYPE( 139 ), CONVERT_CONC( 139 ) / 115, 'GC', F / ! FORM_PRIMARY\n DATA CGRID_INDEX( 140 ), SPECIES_TYPE( 140 ), CONVERT_CONC( 140 ) / 116, 'GC', F / ! ALD2_PRIMARY\n DATA CGRID_INDEX( 141 ), SPECIES_TYPE( 141 ), CONVERT_CONC( 141 ) / 117, 'GC', F / ! BUTADIENE13\n DATA CGRID_INDEX( 142 ), SPECIES_TYPE( 142 ), CONVERT_CONC( 142 ) / 118, 'GC', F / ! ACROLEIN\n DATA CGRID_INDEX( 143 ), SPECIES_TYPE( 143 ), CONVERT_CONC( 143 ) / 119, 'GC', F / ! ACRO_PRIMARY\n DATA CGRID_INDEX( 144 ), SPECIES_TYPE( 144 ), CONVERT_CONC( 144 ) / 120, 'GC', F / ! TOLU\n DATA CGRID_INDEX( 145 ), SPECIES_TYPE( 145 ), CONVERT_CONC( 145 ) / 121, 'GC', F / ! HG\n DATA CGRID_INDEX( 146 ), SPECIES_TYPE( 146 ), CONVERT_CONC( 146 ) / 122, 'GC', F / ! HGIIAER\n DATA CGRID_INDEX( 147 ), SPECIES_TYPE( 147 ), CONVERT_CONC( 147 ) / 123, 'GC', F / ! HGIIGAS\n\n! The below integers define the locations of mechanism species in the solver\n! concentration array.\n\n INTEGER :: INDEX_NO2 = 1\n INTEGER :: INDEX_NO = 2\n INTEGER :: INDEX_O = 3\n INTEGER :: INDEX_O3 = 4\n INTEGER :: INDEX_NO3 = 5\n INTEGER :: INDEX_O1D = 6\n INTEGER :: INDEX_OH = 7\n INTEGER :: INDEX_HO2 = 8\n INTEGER :: INDEX_H2O2 = 9\n INTEGER :: INDEX_N2O5 = 10\n INTEGER :: INDEX_HNO3 = 11\n INTEGER :: INDEX_HONO = 12\n INTEGER :: INDEX_PNA = 13\n INTEGER :: INDEX_SO2 = 14\n INTEGER :: INDEX_SULF = 15\n INTEGER :: INDEX_SULRXN = 16\n INTEGER :: INDEX_C2O3 = 17\n INTEGER :: INDEX_MEO2 = 18\n INTEGER :: INDEX_RO2 = 19\n INTEGER :: INDEX_PAN = 20\n INTEGER :: INDEX_PACD = 21\n INTEGER :: INDEX_AACD = 22\n INTEGER :: INDEX_CXO3 = 23\n INTEGER :: INDEX_ALD2 = 24\n INTEGER :: INDEX_XO2H = 25\n INTEGER :: INDEX_PANX = 26\n INTEGER :: INDEX_FORM = 27\n INTEGER :: INDEX_MEPX = 28\n INTEGER :: INDEX_MEOH = 29\n INTEGER :: INDEX_ROOH = 30\n INTEGER :: INDEX_XO2 = 31\n INTEGER :: INDEX_XO2N = 32\n INTEGER :: INDEX_NTR1 = 33\n INTEGER :: INDEX_NTR2 = 34\n INTEGER :: INDEX_FACD = 35\n INTEGER :: INDEX_CO = 36\n INTEGER :: INDEX_HCO3 = 37\n INTEGER :: INDEX_ALDX = 38\n INTEGER :: INDEX_GLYD = 39\n INTEGER :: INDEX_GLY = 40\n INTEGER :: INDEX_MGLY = 41\n INTEGER :: INDEX_ETHA = 42\n INTEGER :: INDEX_ETOH = 43\n INTEGER :: INDEX_KET = 44\n INTEGER :: INDEX_PAR = 45\n INTEGER :: INDEX_ACET = 46\n INTEGER :: INDEX_PRPA = 47\n INTEGER :: INDEX_XPRP = 48\n INTEGER :: INDEX_XPAR = 49\n INTEGER :: INDEX_ROR = 50\n INTEGER :: INDEX_ETHY = 51\n INTEGER :: INDEX_ETH = 52\n INTEGER :: INDEX_OLE = 53\n INTEGER :: INDEX_IOLE = 54\n INTEGER :: INDEX_ISOP = 55\n INTEGER :: INDEX_ISO2 = 56\n INTEGER :: INDEX_ISOPRXN = 57\n INTEGER :: INDEX_ISPD = 58\n INTEGER :: INDEX_INTR = 59\n INTEGER :: INDEX_ISPX = 60\n INTEGER :: INDEX_HPLD = 61\n INTEGER :: INDEX_OPO3 = 62\n INTEGER :: INDEX_EPOX = 63\n INTEGER :: INDEX_EPX2 = 64\n INTEGER :: INDEX_TERP = 65\n INTEGER :: INDEX_TRPRXN = 66\n INTEGER :: INDEX_TERPNRO2 = 67\n INTEGER :: INDEX_APIN = 68\n INTEGER :: INDEX_BENZENE = 69\n INTEGER :: INDEX_CRES = 70\n INTEGER :: INDEX_BZO2 = 71\n INTEGER :: INDEX_OPEN = 72\n INTEGER :: INDEX_BENZRO2 = 73\n INTEGER :: INDEX_TOL = 74\n INTEGER :: INDEX_TO2 = 75\n INTEGER :: INDEX_TOLRO2 = 76\n INTEGER :: INDEX_XOPN = 77\n INTEGER :: INDEX_XYLMN = 78\n INTEGER :: INDEX_XLO2 = 79\n INTEGER :: INDEX_XYLRO2 = 80\n INTEGER :: INDEX_NAPH = 81\n INTEGER :: INDEX_PAHRO2 = 82\n INTEGER :: INDEX_CRO = 83\n INTEGER :: INDEX_CAT1 = 84\n INTEGER :: INDEX_CRON = 85\n INTEGER :: INDEX_OPAN = 86\n INTEGER :: INDEX_ECH4 = 87\n INTEGER :: INDEX_CL2 = 88\n INTEGER :: INDEX_CL = 89\n INTEGER :: INDEX_HOCL = 90\n INTEGER :: INDEX_CLO = 91\n INTEGER :: INDEX_FMCL = 92\n INTEGER :: INDEX_HCL = 93\n INTEGER :: INDEX_CLNO2 = 94\n INTEGER :: INDEX_CLNO3 = 95\n INTEGER :: INDEX_SVAVB2 = 96\n INTEGER :: INDEX_SVAVB3 = 97\n INTEGER :: INDEX_SVAVB4 = 98\n INTEGER :: INDEX_SVAVB1 = 99\n INTEGER :: INDEX_SESQ = 100\n INTEGER :: INDEX_SESQRXN = 101\n INTEGER :: INDEX_SOAALK = 102\n INTEGER :: INDEX_H2NO3PIJ = 103\n INTEGER :: INDEX_H2NO3PK = 104\n INTEGER :: INDEX_ACLI = 105\n INTEGER :: INDEX_ACLJ = 106\n INTEGER :: INDEX_ACLK = 107\n INTEGER :: INDEX_IEPOXP = 108\n INTEGER :: INDEX_ASO4J = 109\n INTEGER :: INDEX_AISO3J = 110\n INTEGER :: INDEX_AGLYJ = 111\n INTEGER :: INDEX_MTNO3 = 112\n INTEGER :: INDEX_AMTNO3J = 113\n INTEGER :: INDEX_AMTHYDJ = 114\n INTEGER :: INDEX_AAVB2J = 115\n INTEGER :: INDEX_AOLGAJ = 116\n INTEGER :: INDEX_AAVB3J = 117\n INTEGER :: INDEX_AAVB4J = 118\n INTEGER :: INDEX_AISO1J = 119\n INTEGER :: INDEX_AOLGBJ = 120\n INTEGER :: INDEX_AISO2J = 121\n INTEGER :: INDEX_ASQTJ = 122\n INTEGER :: INDEX_APOCI = 123\n INTEGER :: INDEX_APNCOMI = 124\n INTEGER :: INDEX_APOCJ = 125\n INTEGER :: INDEX_APNCOMJ = 126\n INTEGER :: INDEX_PCVOC = 127\n INTEGER :: INDEX_PCSOARXN = 128\n INTEGER :: INDEX_VLVPO1 = 129\n INTEGER :: INDEX_VSVPO1 = 130\n INTEGER :: INDEX_VSVPO2 = 131\n INTEGER :: INDEX_VSVPO3 = 132\n INTEGER :: INDEX_VIVPO1 = 133\n INTEGER :: INDEX_VLVOO1 = 134\n INTEGER :: INDEX_VLVOO2 = 135\n INTEGER :: INDEX_VSVOO2 = 136\n INTEGER :: INDEX_VSVOO3 = 137\n INTEGER :: INDEX_VSVOO1 = 138\n INTEGER :: INDEX_FORM_PRIMARY = 139\n INTEGER :: INDEX_ALD2_PRIMARY = 140\n INTEGER :: INDEX_BUTADIENE13 = 141\n INTEGER :: INDEX_ACROLEIN = 142\n INTEGER :: INDEX_ACRO_PRIMARY = 143\n INTEGER :: INDEX_TOLU = 144\n INTEGER :: INDEX_HG = 145\n INTEGER :: INDEX_HGIIAER = 146\n INTEGER :: INDEX_HGIIGAS = 147\n\n INTEGER, PARAMETER :: N_ACT_SP = 147\n\n INTEGER, PARAMETER :: NRXNS = 343\n\n INTEGER, PARAMETER :: ONE_REACT_REACTIONS = 0\n\n INTEGER, PARAMETER :: TWO_REACT_REACTIONS = 0\n\n INTEGER, PARAMETER :: THREE_REACT_REACTIONS = 0\n\n INTEGER, PARAMETER :: ZERO_REACT_REACTIONS = 0\n\n LOGICAL, PARAMETER :: UNITARY_REACTIONS = .FALSE.\n\n INTEGER, PARAMETER :: ONE_REACT_START = 0\n\n INTEGER, PARAMETER :: ONE_REACT_STOP = -1\n\n LOGICAL, PARAMETER :: BINARY_REACTIONS = .FALSE.\n\n INTEGER, PARAMETER :: TWO_REACT_START = 0\n\n INTEGER, PARAMETER :: TWO_REACT_STOP = -1\n\n LOGICAL, PARAMETER :: TERNARY_REACTIONS = .FALSE.\n\n INTEGER, PARAMETER :: THREE_REACT_START = 0\n\n INTEGER, PARAMETER :: THREE_REACT_STOP = -1\n\n LOGICAL, PARAMETER :: NULL_REACTIONS = .FALSE.\n\n INTEGER, PARAMETER :: ZERO_REACT_START = 0\n\n INTEGER, PARAMETER :: ZERO_REACT_STOP = -1\n\n INTEGER, PARAMETER :: NSUNLIGHT_RXNS = 42\n\n INTEGER, PARAMETER :: NTHERMAL_RXNS = 301\n\n INTEGER, PARAMETER :: KUNITS = 2\n\n INTEGER :: IRXXN\n\n INTEGER, PARAMETER :: NMPHOT = 41\n INTEGER :: IPH( NMPHOT,3 )\n\n DATA ( IPH( IRXXN,1 ), IRXXN = 1, NMPHOT ) / & \n & 1, 8, 9, 21, 27, 28, 38, 43, 47, 50, & \n & 56, 64, 88, 90, 92, 97, 98, 108, 112, 114, & \n & 117, 119, 128, 129, 161, 163, 201, 202, 206, 225, & \n & 226, 233, 251, 253, 254, 289, 315, 316, 321, 330, & \n & 335/\n\n DATA ( IPH( IRXXN,2 ), IRXXN = 1, NMPHOT ) / & \n & 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, & \n & 11, 11, 12, 12, 13, 14, 15, 16, 17, 18, & \n & 19, 20, 21, 22, 23, 24, 13, 1, 1, 25, & \n & 26, 27, 28, 29, 30, 31, 14, 15, 16, 32, & \n & 32/\n\n DATA ( IPH( IRXXN,3 ), IRXXN = 1, NMPHOT ) / & \n & 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, & \n & 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, & \n & 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, & \n & 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, & \n & 41/\n\n REAL( 8 ) :: RTDAT( 3,NRXNS )\n\n INTEGER, PARAMETER :: NFALLOFF = 22\n REAL( 8 ) :: RFDAT( 5,NFALLOFF )\n\n INTEGER :: KTYPE( NRXNS )\n\n DATA ( KTYPE( IRXXN ), IRXXN = 1, NRXNS ) / & \n & 0, 2, 3, 2, 3, 10, 3, 0, 0, 3, & ! O \n & 1, 3, 4, 3, 3, 4, 10, 3, 9, 9, & ! 1 \n & 0, 3, 3, 3, 3, 3, 0, 0, 3, 3, & ! 2 \n & 1, 1, 1, 1, 3, 10, 10, 0, 1, 10, & ! 3 \n & 1, 1, 0, 3, 10, 8, 0, 10, 10, 0, & ! 4 \n & 3, 10, 3, 10, 10, 0, 3, 3, 3, 3, & ! 5 \n & 3, 6, 6, 0, 3, 3, 3, 3, 3, 3, & ! 6 \n & 3, 3, 3, 6, 3, 3, 6, 6, 6, 6, & ! 7 \n & 6, 6, 6, 6, 6, 6, 3, 0, 3, 0, & ! 8 \n & 1, 0, 1, 3, 3, 3, 0, 0, 3, 1, & ! 9 \n & 3, 3, 1, 3, 3, 3, 3, 0, 3, 3, & ! O \n & 1, 0, 1, 0, 3, 3, 0, 3, 0, 3, & ! 1 \n & 3, 3, 9, 3, 3, 3, 3, 0, 0, 3, & ! 2 \n & 3, 1, 3, 3, 3, 10, 3, 10, 3, 3, & ! 3 \n & 3, 10, 3, 3, 1, 3, 3, 1, 3, 1, & ! 4 \n & 3, 3, 6, 6, 3, 3, 3, 3, 3, 3, & ! 5 \n & 0, 3, 0, 3, 3, 3, 3, 6, 6, 1, & ! 6 \n & 1, 3, 3, 3, 1, 3, 3, 3, 3, 3, & ! 7 \n & 6, 3, 6, 3, 3, 6, 3, 6, 1, 1, & ! 8 \n & 3, 3, 6, 6, 3, 1, 1, 1, 1, 1, & ! 9 \n & 0, 0, 1, 3, 1, 0, 1, 3, 1, 1, & ! O \n & 1, 1, 6, 6, 6, 6, 6, 1, 1, 3, & ! 1 \n & 10, 1, 10, 1, 0, 0, 3, 1, 3, 3, & ! 2 \n & 3, 1, 0, 3, 1, 1, 3, 1, 1, 1, & ! 3 \n & 1, 3, 1, 1, 1, 3, 4, 1, 1, 1, & ! 4 \n & 0, 10, 0, 0, -1, 3, 3, 3, 3, 3, & ! 5 \n & 3, 1, 1, 1, 3, 3, 3, -1, -1, -1, & ! 6 \n & -1, -1, -1, -1, -1, -1, 12, -1, -1, -1, & ! 7 \n & -1, -1, 3, 3, 1, 1, 1, 1, 0, 1, & ! 8 \n & 1, 1, 1, 1, 1, 1, 1, -1, 1, -1, & ! 9 \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! O \n & 1, 3, 1, 3, 0, 0, 3, 3, 3, 3, & ! 1 \n & 0, 1, 3, 3, 1, 1, 1, 1, 1, 0, & ! 2 \n & 1, 1, 1, 1, 0, 1, 3, 1, 3, 1, & ! 3 \n & 1, 1, 3/ ! 4 \n\n INTEGER :: IRXBITS( NRXNS )\n\n DATA ( IRXBITS( IRXXN ), IRXXN = 1, NRXNS ) / & \n & 2, 276, 0, 260, 0, 1, 0, 2, 2, 260, & ! O \n & 8, 0, 0, 0, 0, 0, 1, 0, 0, 8, & ! 1 \n & 2, 0, 0, 16, 0, 0, 2, 2, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 1, 1, 2, 8, 1, & ! 3 \n & 8, 0, 2, 0, 1, 0, 2, 1, 1, 2, & ! 4 \n & 0, 1, 0, 1, 1, 2, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 2, 0, 2, & ! 8 \n & 0, 2, 0, 0, 0, 0, 2, 2, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, & ! O \n & 0, 2, 0, 2, 0, 0, 2, 0, 2, 0, & ! 1 \n & 0, 128, 0, 64, 0, 0, 0, 2, 2, 0, & ! 2 \n & 0, 0, 0, 16, 0, 1, 0, 1, 0, 0, & ! 3 \n & 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 2, 0, 2, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 2, 2, 0, 0, 0, 2, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 1, 0, 1, 0, 2, 2, 0, 0, 0, 0, & ! 2 \n & 0, 0, 2, 64, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 2, 1, 2, 2, 1, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, & ! 6 \n & 1, 1, 1, 1, 1, 1, 2, 1, 1, 1, & ! 7 \n & 1, 1, 0, 0, 0, 0, 0, 0, 2, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 2, 2, 0, 0, 0, 0, & ! 1 \n & 2, 0, 0, 0, 0, 0, 0, 0, 0, 2, & ! 2 \n & 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 260/ ! 4 \n\n INTEGER, PARAMETER :: NTERMS_JACOB = 21609\n\n INTEGER, PARAMETER :: NSTEPS_JACOB = 686\n\n INTEGER :: IORDER( NRXNS )\n\n DATA ( IORDER( IRXXN ), IRXXN = 1, NRXNS ) / & \n & 1, 3, 2, 3, 2, 2, 2, 1, 1, 2, & ! O \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 3, & ! 1 \n & 1, 2, 2, 3, 2, 2, 1, 1, 2, 2, & ! 2 \n & 2, 2, 2, 2, 2, 2, 1, 1, 2, 2, & ! 3 \n & 3, 2, 1, 2, 2, 2, 1, 2, 1, 1, & ! 4 \n & 2, 2, 2, 2, 1, 1, 2, 2, 2, 2, & ! 5 \n & 2, 2, 1, 1, 2, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 1, 2, 1, & ! 8 \n & 2, 1, 2, 2, 2, 2, 1, 1, 2, 2, & ! 9 \n & 2, 1, 2, 2, 2, 2, 2, 1, 2, 2, & ! O \n & 2, 1, 2, 1, 2, 2, 1, 2, 1, 2, & ! 1 \n & 2, 2, 2, 2, 2, 2, 2, 1, 1, 2, & ! 2 \n & 2, 2, 1, 2, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 1, 2, 2, 2, 2, 2, & ! 5 \n & 1, 2, 1, 2, 2, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 9 \n & 1, 1, 2, 2, 2, 1, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 1, 2, 2, 2, 2, 2, 2, & ! 1 \n & 1, 1, 1, 1, 1, 1, 2, 2, 2, 2, & ! 2 \n & 2, 2, 1, 2, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 1, 2, 1, 1, 1, 2, 2, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 2, 2, 2, 1, 1, 1, & ! 6 \n & 1, 1, 2, 2, 2, 1, 1, 1, 2, 1, & ! 7 \n & 1, 1, 2, 2, 2, 2, 2, 2, 1, 1, & ! 8 \n & 1, 1, 1, 1, 1, 1, 2, 2, 2, 2, & ! 9 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 1, 1, 2, 2, 2, 2, & ! 1 \n & 1, 2, 2, 2, 2, 2, 2, 2, 2, 1, & ! 2 \n & 2, 2, 2, 2, 1, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 3/ ! 4 \n\n INTEGER, PARAMETER :: KTN1 = 96\n INTEGER :: KRX1( KTN1 )\n\n DATA ( KRX1( IRXXN ), IRXXN = 1, KTN1 ) / & \n & 11, 31, 32, 33, 34, 39, 41, 42, 91, 93, & ! O \n & 100, 103, 111, 113, 132, 145, 148, 150, 170, 171, & ! 1 \n & 175, 189, 190, 196, 197, 198, 199, 200, 203, 205, & ! 2 \n & 207, 209, 210, 211, 212, 218, 219, 222, 224, 228, & ! 3 \n & 232, 235, 236, 238, 239, 240, 241, 243, 244, 245, & ! 4 \n & 248, 249, 250, 262, 263, 264, 285, 286, 287, 288, & ! 5 \n & 290, 291, 292, 293, 294, 295, 296, 297, 299, 301, & ! 6 \n & 302, 303, 304, 305, 306, 307, 308, 309, 310, 311, & ! 7 \n & 313, 322, 325, 326, 327, 328, 329, 331, 332, 333, & ! 8 \n & 334, 336, 338, 340, 341, 342/ ! 9 \n\n INTEGER, PARAMETER :: KTN2 = 2\n INTEGER :: KRX2( KTN2 )\n\n DATA ( KRX2( IRXXN ), IRXXN = 1, KTN2 ) / & \n & 2, 4/\n\n INTEGER, PARAMETER :: KTN3 = 134\n INTEGER :: KRX3( KTN3 )\n\n DATA ( KRX3( IRXXN ), IRXXN = 1, KTN3 ) / & \n & 3, 5, 7, 10, 12, 14, 15, 18, 22, 23, & ! O \n & 24, 25, 26, 29, 30, 35, 44, 51, 53, 57, & ! 1 \n & 58, 59, 60, 61, 65, 66, 67, 68, 69, 70, & ! 2 \n & 71, 72, 73, 75, 76, 87, 89, 94, 95, 96, & ! 3 \n & 99, 101, 102, 104, 105, 106, 107, 109, 110, 115, & ! 4 \n & 116, 118, 120, 121, 122, 124, 125, 126, 127, 130, & ! 5 \n & 131, 133, 134, 135, 137, 139, 140, 141, 143, 144, & ! 6 \n & 146, 147, 149, 151, 152, 155, 156, 157, 158, 159, & ! 7 \n & 160, 162, 164, 165, 166, 167, 172, 173, 174, 176, & ! 8 \n & 177, 178, 179, 180, 182, 184, 185, 187, 191, 192, & ! 9 \n & 195, 204, 208, 220, 227, 229, 230, 231, 234, 237, & ! O \n & 242, 246, 256, 257, 258, 259, 260, 261, 265, 266, & ! 1 \n & 267, 283, 284, 312, 314, 317, 318, 319, 320, 323, & ! 2 \n & 324, 337, 339, 343/ ! 3 \n\n INTEGER, PARAMETER :: KTN4 = 3\n INTEGER :: KRX4( KTN4 )\n\n DATA ( KRX4( IRXXN ), IRXXN = 1, KTN4 ) / & \n & 13, 16, 247/\n\n INTEGER, PARAMETER :: KTN5 = 0\n INTEGER :: KRX5( 1 )\n\n DATA KRX5( 1 ) / 0 /\n\n INTEGER, PARAMETER :: KTN6 = 28\n INTEGER :: KRX6( KTN6 )\n\n DATA ( KRX6( IRXXN ), IRXXN = 1, KTN6 ) / & \n & 62, 63, 74, 77, 78, 79, 80, 81, 82, 83, & \n & 84, 85, 86, 153, 154, 168, 169, 181, 183, 186, & \n & 188, 193, 194, 213, 214, 215, 216, 217/\n\n INTEGER, PARAMETER :: KTN7 = 0\n INTEGER :: KRX7( 1 )\n\n DATA KRX7( 1 ) / 0 /\n\n INTEGER, PARAMETER :: NWM = 4\n INTEGER :: NRXWM( NWM )\n\n DATA ( NRXWM( IRXXN ), IRXXN = 1, NWM ) / & \n & 2, 4, 10, 343/\n REAL( 8 ), PARAMETER :: ATM_AIR = 1.00000D+06\n\n INTEGER, PARAMETER :: NWW = 4\n INTEGER :: NRXWW( NWW )\n\n DATA ( NRXWW( IRXXN ), IRXXN = 1, NWW ) / & \n & 11, 20, 39, 41/\n\n INTEGER, PARAMETER :: NWO2 = 3\n INTEGER :: NRXWO2( NWO2 )\n\n DATA ( NRXWO2( IRXXN ), IRXXN = 1, NWO2 ) / & \n & 2, 24, 134/\n REAL( 8 ), PARAMETER :: ATM_O2 = 2.09500D+05\n\n INTEGER, PARAMETER :: NWN2 = 0\n INTEGER :: NRXWN2( 1 )\n\n DATA NRXWN2( 1 ) / 0 /\n REAL( 8 ), PARAMETER :: ATM_N2 = 7.80800D+05\n\n INTEGER, PARAMETER :: NWCH4 = 2\n INTEGER :: NRXWCH4( NWCH4 )\n\n DATA ( NRXWCH4( IRXXN ), IRXXN = 1, NWCH4 ) / & \n & 124, 234/\n REAL( 8 ), PARAMETER :: ATM_CH4 = 1.85000D+00\n\n INTEGER, PARAMETER :: NWH2 = 1\n INTEGER :: NRXWH2( NWH2 )\n\n DATA ( NRXWH2( IRXXN ), IRXXN = 1, NWH2 ) / & \n & 122/\n REAL( 8 ), PARAMETER :: ATM_H2 = 5.60000D-01\n\n INTEGER, PARAMETER :: MXPRD = 14\n INTEGER :: IRR( NRXNS,MXPRD+3 )\n\n DATA ( IRR( IRXXN, 1 ), IRXXN = 1, NRXNS ) / & \n & 1, 3, 4, 3, 3, 3, 3, 4, 4, 6, & ! O \n & 6, 4, 4, 7, 8, 7, 7, 7, 8, 8, & ! 1 \n & 9, 9, 9, 2, 8, 1, 5, 5, 5, 5, & ! 2 \n & 5, 5, 5, 5, 5, 5, 10, 10, 10, 2, & ! 3 \n & 2, 12, 12, 12, 1, 11, 11, 8, 13, 13, & ! 4 \n & 13, 14, 17, 17, 20, 20, 17, 17, 17, 17, & ! 5 \n & 23, 23, 26, 26, 23, 23, 23, 19, 19, 19, & ! 6 \n & 18, 18, 18, 18, 25, 25, 25, 25, 31, 31, & ! 7 \n & 31, 31, 32, 32, 32, 32, 28, 28, 30, 30, & ! 8 \n & 33, 33, 35, 22, 21, 27, 27, 27, 27, 27, & ! 9 \n & 27, 37, 37, 37, 24, 24, 24, 24, 38, 38, & ! O \n & 38, 38, 39, 39, 39, 40, 40, 40, 41, 41, & ! 1 \n & 41, 7, 36, 7, 42, 29, 43, 44, 46, 46, & ! 2 \n & 47, 45, 50, 50, 50, 51, 52, 52, 52, 52, & ! 3 \n & 53, 53, 53, 53, 54, 54, 54, 54, 55, 55, & ! 4 \n & 56, 56, 56, 56, 56, 55, 55, 58, 58, 58, & ! 5 \n & 58, 60, 61, 61, 63, 64, 64, 64, 64, 59, & ! 6 \n & 65, 65, 65, 65, 68, 68, 68, 68, 69, 71, & ! 7 \n & 71, 71, 71, 74, 75, 75, 75, 75, 78, 81, & ! 8 \n & 79, 79, 79, 79, 70, 70, 83, 83, 85, 85, & ! 9 \n & 85, 77, 77, 77, 77, 72, 72, 72, 72, 84, & ! O \n & 84, 62, 62, 86, 62, 62, 62, 86, 26, 87, & ! 1 \n & 48, 48, 49, 49, 88, 90, 89, 91, 91, 91, & ! 2 \n & 91, 7, 92, 89, 89, 89, 89, 89, 89, 89, & ! 3 \n & 89, 89, 89, 89, 89, 89, 93, 89, 89, 89, & ! 4 \n & 94, 91, 95, 95, 95, 76, 76, 80, 80, 73, & ! 5 \n & 73, 100, 100, 100, 82, 82, 102, 34, 10, 10, & ! 6 \n & 103, 104, 103, 103, 104, 1, 4, 63, 108, 108, & ! 7 \n & 40, 41, 67, 67, 67, 67, 112, 112, 112, 113, & ! 8 \n & 115, 117, 118, 119, 121, 122, 123, 124, 125, 126, & ! 9 \n & 127, 129, 130, 131, 132, 133, 134, 135, 138, 136, & ! O \n & 137, 139, 139, 139, 139, 139, 139, 140, 140, 140, & ! 1 \n & 140, 140, 141, 141, 141, 141, 143, 143, 143, 143, & ! 2 \n & 143, 142, 142, 142, 142, 142, 144, 144, 145, 145, & ! 3 \n & 145, 145, 145/ ! 4 \n\n DATA ( IRR( IRXXN, 2 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 2, 2, 1, 1, 4, 0, 0, 0, & ! O \n & 0, 7, 8, 3, 3, 7, 7, 8, 8, 8, & ! 1 \n & 0, 7, 3, 2, 2, 4, 0, 0, 2, 1, & ! 2 \n & 3, 7, 8, 4, 5, 1, 0, 0, 0, 7, & ! 3 \n & 1, 12, 0, 7, 7, 7, 0, 1, 0, 0, & ! 4 \n & 7, 7, 2, 1, 0, 0, 8, 19, 17, 23, & ! 5 \n & 2, 1, 0, 0, 8, 19, 23, 2, 8, 19, & ! 6 \n & 2, 8, 17, 19, 2, 8, 17, 19, 2, 8, & ! 7 \n & 17, 19, 2, 8, 17, 19, 7, 0, 7, 0, & ! 8 \n & 7, 0, 7, 7, 7, 7, 0, 0, 3, 5, & ! 9 \n & 8, 0, 2, 8, 3, 7, 5, 0, 3, 7, & ! O \n & 5, 0, 7, 0, 5, 7, 0, 5, 0, 5, & ! 1 \n & 7, 0, 7, 0, 7, 7, 7, 0, 0, 7, & ! 2 \n & 7, 7, 0, 0, 1, 7, 3, 7, 4, 5, & ! 3 \n & 3, 7, 4, 5, 3, 7, 4, 5, 7, 3, & ! 4 \n & 2, 8, 17, 19, 0, 4, 5, 7, 4, 5, & ! 5 \n & 0, 7, 0, 5, 7, 8, 2, 17, 19, 7, & ! 6 \n & 3, 7, 4, 5, 3, 7, 4, 5, 7, 2, & ! 7 \n & 17, 8, 19, 7, 2, 17, 8, 19, 7, 7, & ! 8 \n & 2, 8, 17, 19, 7, 5, 1, 8, 7, 5, & ! 9 \n & 0, 0, 7, 4, 5, 0, 7, 4, 5, 7, & ! O \n & 5, 2, 1, 0, 8, 17, 19, 7, 7, 7, & ! 1 \n & 0, 0, 0, 0, 0, 0, 4, 91, 2, 8, & ! 2 \n & 18, 92, 0, 0, 45, 47, 42, 52, 53, 54, & ! 3 \n & 55, 27, 24, 38, 29, 43, 7, 74, 78, 81, & ! 4 \n & 0, 1, 0, 0, 0, 2, 8, 2, 8, 2, & ! 5 \n & 8, 4, 7, 5, 2, 8, 7, 0, 0, 0, & ! 6 \n & 0, 0, 105, 106, 107, 0, 0, 0, 109, 0, & ! 7 \n & 0, 0, 2, 8, 5, 19, 89, 7, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 7, 7, 7, 7, & ! 9 \n & 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, & ! O \n & 7, 7, 5, 3, 0, 0, 89, 7, 5, 3, & ! 1 \n & 0, 89, 7, 4, 5, 89, 7, 4, 5, 0, & ! 2 \n & 89, 7, 4, 5, 0, 89, 7, 89, 4, 88, & ! 3 \n & 9, 7, 89/ ! 4 \n\n DATA ( IRR( IRXXN, 3 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0/ ! 4 \n\n DATA ( IRR( IRXXN, 4 ), IRXXN = 1, NRXNS ) / & \n & 2, 4, 1, 1, 2, 5, 0, 3, 6, 3, & ! O \n & 7, 8, 7, 8, 7, 3, 9, 0, 9, 9, & ! 1 \n & 7, 8, 7, 1, 7, 5, 1, 2, 1, 2, & ! 2 \n & 1, 8, 7, 1, 1, 10, 5, 1, 11, 12, & ! 3 \n & 12, 2, 2, 1, 11, 5, 7, 13, 8, 8, & ! 4 \n & 1, 15, 1, 20, 1, 1, 21, 17, 18, 18, & ! 5 \n & 1, 26, 1, 1, 21, 24, 24, 2, 8, 0, & ! 6 \n & 27, 28, 27, 27, 1, 30, 8, 8, 1, 30, & ! 7 \n & 18, 19, 33, 30, 8, 19, 18, 18, 25, 8, & ! 8 \n & 34, 1, 8, 18, 17, 8, 8, 36, 7, 11, & ! 9 \n & 37, 27, 35, 28, 17, 17, 17, 18, 23, 23, & ! O \n & 23, 24, 40, 27, 11, 36, 8, 11, 17, 11, & ! 1 \n & 17, 8, 8, 18, 24, 27, 24, 24, 36, 27, & ! 2 \n & 48, 49, 44, 44, 33, 40, 27, 25, 27, 1, & ! 3 \n & 24, 27, 24, 1, 24, 24, 24, 1, 56, 58, & ! 4 \n & 59, 60, 27, 27, 8, 27, 1, 32, 24, 11, & ! 5 \n & 8, 63, 7, 11, 64, 39, 39, 39, 39, 31, & ! 6 \n & 38, 25, 7, 1, 38, 25, 7, 1, 70, 1, & ! 7 \n & 40, 0, 40, 70, 1, 40, 0, 40, 70, 70, & ! 8 \n & 1, 0, 40, 40, 40, 83, 85, 70, 34, 34, & ! 9 \n & 12, 40, 41, 41, 1, 62, 62, 40, 62, 27, & ! O \n & 83, 1, 86, 62, 21, 18, 25, 1, 24, 18, & ! 1 \n & 32, 46, 32, 38, 89, 7, 91, 88, 89, 90, & ! 2 \n & 89, 89, 89, 93, 93, 93, 93, 92, 92, 93, & ! 3 \n & 92, 93, 93, 93, 93, 93, 89, 93, 93, 93, & ! 4 \n & 89, 95, 91, 89, 90, 2, 8, 2, 8, 2, & ! 5 \n & 8, 4, 7, 5, 2, 8, 7, 11, 11, 11, & ! 6 \n & 11, 11, 94, 94, 94, 12, 0, 108, 110, 110, & ! 7 \n & 111, 111, 2, 8, 5, 19, 89, 7, 0, 114, & ! 8 \n & 116, 116, 116, 120, 120, 120, 124, 7, 126, 7, & ! 9 \n & 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, & ! O \n & 7, 7, 5, 3, 0, 0, 89, 7, 5, 3, & ! 1 \n & 0, 89, 7, 4, 5, 89, 7, 4, 5, 0, & ! 2 \n & 89, 7, 4, 5, 0, 89, 7, 89, 146, 147, & ! 3 \n & 147, 146, 145/ ! 4 \n\n DATA ( IRR( IRXXN, 5 ), IRXXN = 1, NRXNS ) / & \n & 3, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 8, 0, 1, 0, 3, 0, 0, 1, & ! 2 \n & 0, 1, 1, 0, 0, 0, 1, 5, 0, 0, & ! 3 \n & 0, 1, 7, 0, 0, 0, 1, 0, 1, 1, & ! 4 \n & 0, 8, 18, 0, 17, 17, 22, 0, 19, 24, & ! 5 \n & 24, 0, 23, 23, 22, 25, 25, 0, 0, 0, & ! 6 \n & 8, 27, 8, 29, 8, 0, 18, 19, 0, 0, & ! 7 \n & 22, 0, 34, 0, 18, 0, 19, 19, 32, 7, & ! 8 \n & 0, 0, 0, 19, 0, 36, 36, 0, 8, 8, & ! 9 \n & 0, 8, 1, 35, 7, 0, 11, 19, 7, 0, & ! O \n & 11, 25, 8, 36, 17, 31, 36, 36, 8, 17, & ! 1 \n & 36, 0, 0, 19, 25, 8, 8, 17, 18, 17, & ! 2 \n & 0, 0, 46, 8, 0, 7, 8, 19, 36, 33, & ! 3 \n & 38, 24, 27, 33, 38, 38, 38, 33, 19, 27, & ! 4 \n & 1, 7, 58, 58, 61, 58, 34, 31, 27, 34, & ! 5 \n & 25, 7, 58, 58, 19, 40, 40, 40, 40, 25, & ! 6 \n & 45, 31, 25, 25, 45, 31, 25, 25, 71, 34, & ! 7 \n & 72, 0, 72, 75, 34, 41, 0, 41, 79, 79, & ! 8 \n & 34, 0, 41, 41, 72, 11, 0, 0, 83, 83, & ! 9 \n & 8, 25, 40, 7, 34, 8, 25, 41, 11, 8, & ! O \n & 11, 40, 0, 1, 22, 31, 38, 40, 1, 19, & ! 1 \n & 19, 38, 19, 50, 0, 89, 0, 89, 1, 0, & ! 2 \n & 27, 36, 36, 18, 49, 46, 24, 31, 24, 92, & ! 3 \n & 58, 8, 17, 23, 8, 8, 0, 70, 70, 70, & ! 4 \n & 1, 0, 1, 5, 11, 96, 99, 96, 99, 96, & ! 5 \n & 99, 101, 101, 101, 96, 99, 96, 0, 103, 104, & ! 6 \n & 0, 0, 0, 0, 0, 11, 0, 0, 0, 0, & ! 7 \n & 0, 0, 112, 112, 112, 112, 112, 112, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 123, 0, 125, 0, & ! 9 \n & 128, 129, 129, 129, 129, 129, 134, 134, 134, 134, & ! O \n & 134, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 142, 142, 142, 142, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 147, 88, & ! 3 \n & 9, 147, 147/ ! 4 \n\n DATA ( IRR( IRXXN, 6 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 7, & ! 4 \n & 0, 16, 19, 0, 0, 5, 4, 0, 0, 25, & ! 5 \n & 25, 0, 0, 5, 4, 19, 19, 0, 0, 0, & ! 6 \n & 1, 0, 18, 8, 0, 0, 22, 0, 0, 0, & ! 7 \n & 19, 0, 0, 0, 22, 0, 27, 7, 19, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 36, 36, & ! 9 \n & 0, 0, 8, 7, 0, 0, 0, 36, 0, 0, & ! O \n & 0, 19, 17, 8, 0, 19, 0, 31, 36, 31, & ! 1 \n & 0, 0, 0, 0, 32, 0, 25, 25, 19, 31, & ! 2 \n & 0, 0, 24, 0, 0, 35, 36, 27, 8, 25, & ! 3 \n & 8, 38, 38, 31, 25, 25, 27, 31, 57, 31, & ! 4 \n & 27, 8, 8, 8, 0, 38, 25, 41, 41, 1, & ! 5 \n & 31, 56, 0, 0, 0, 41, 41, 41, 41, 19, & ! 6 \n & 66, 32, 31, 31, 66, 32, 31, 31, 19, 40, & ! 7 \n & 8, 0, 8, 19, 40, 72, 0, 72, 19, 19, & ! 8 \n & 40, 0, 72, 72, 8, 31, 0, 0, 0, 11, & ! 9 \n & 27, 8, 25, 17, 25, 36, 19, 7, 0, 83, & ! O \n & 0, 36, 0, 0, 4, 38, 19, 36, 0, 0, & ! 1 \n & 0, 45, 0, 25, 0, 0, 0, 0, 0, 0, & ! 2 \n & 8, 0, 8, 19, 0, 25, 25, 8, 38, 24, & ! 3 \n & 25, 36, 0, 0, 27, 24, 0, 75, 79, 79, & ! 4 \n & 0, 0, 0, 0, 0, 97, 0, 97, 0, 98, & ! 5 \n & 0, 0, 0, 0, 97, 0, 97, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 7, 0, 7, 0, & ! 9 \n & 0, 130, 130, 130, 130, 130, 135, 135, 135, 135, & ! O \n & 135, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 4, 0, & ! 3 \n & 0, 7, 89/ ! 4 \n\n DATA ( IRR( IRXXN, 7 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 5, & ! 4 \n & 0, 0, 0, 0, 0, 18, 18, 0, 0, 19, & ! 5 \n & 19, 0, 0, 24, 24, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 22, 19, 0, 0, 19, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 19, 0, 7, 0, 7, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 8, 0, 0, 0, 8, 0, 0, & ! O \n & 0, 36, 0, 29, 0, 8, 0, 19, 0, 19, & ! 1 \n & 0, 0, 0, 0, 19, 0, 19, 23, 17, 19, & ! 2 \n & 0, 0, 38, 0, 0, 36, 25, 39, 7, 31, & ! 3 \n & 25, 25, 25, 25, 19, 19, 36, 25, 0, 19, & ! 4 \n & 58, 27, 25, 25, 0, 23, 31, 18, 40, 31, & ! 5 \n & 18, 19, 0, 0, 0, 7, 7, 7, 7, 1, & ! 6 \n & 0, 19, 32, 32, 0, 19, 32, 32, 72, 72, & ! 7 \n & 18, 0, 19, 72, 41, 77, 0, 77, 77, 77, & ! 8 \n & 41, 0, 77, 77, 83, 25, 0, 0, 0, 0, & ! 9 \n & 72, 36, 19, 24, 31, 0, 40, 17, 0, 0, & ! O \n & 0, 8, 0, 0, 38, 19, 22, 34, 0, 0, & ! 1 \n & 0, 25, 0, 31, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 32, 32, 27, 31, 38, & ! 3 \n & 32, 0, 0, 0, 0, 0, 0, 19, 19, 19, & ! 4 \n & 0, 0, 0, 0, 0, 98, 0, 98, 0, 0, & ! 5 \n & 0, 0, 0, 0, 98, 0, 98, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 131, 131, 131, 131, 131, 138, 138, 138, 138, & ! O \n & 138, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0/ ! 4 \n\n DATA ( IRR( IRXXN, 8 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 19, 19, 0, 0, 0, & ! 5 \n & 0, 0, 0, 25, 25, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 19, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 8, 0, 7, 0, 0, 0, 8, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 27, 18, 0, 0, & ! 2 \n & 0, 0, 32, 0, 0, 8, 19, 0, 35, 19, & ! 3 \n & 36, 31, 19, 32, 36, 0, 7, 32, 0, 8, & ! 4 \n & 8, 58, 18, 19, 0, 45, 32, 39, 46, 25, & ! 5 \n & 17, 54, 0, 0, 0, 8, 8, 8, 8, 5, & ! 6 \n & 0, 27, 19, 19, 0, 27, 19, 19, 7, 8, & ! 7 \n & 19, 0, 0, 7, 72, 8, 0, 8, 7, 7, & ! 8 \n & 72, 0, 8, 8, 84, 40, 0, 0, 0, 0, & ! 9 \n & 0, 17, 0, 36, 32, 0, 0, 27, 0, 0, & ! O \n & 0, 23, 0, 0, 25, 0, 0, 0, 0, 0, & ! 1 \n & 0, 19, 0, 19, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 19, 19, 0, 8, 53, & ! 3 \n & 19, 0, 0, 0, 0, 0, 0, 72, 77, 77, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 132, 132, 132, 132, 134, 136, 136, 136, 136, & ! O \n & 136, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0/ ! 4 \n\n DATA ( IRR( IRXXN, 9 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 7, 0, 0, 0, & ! 5 \n & 0, 0, 0, 19, 19, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 40, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 39, 19, 0, 0, & ! 2 \n & 0, 0, 25, 0, 0, 0, 7, 0, 0, 27, & ! 3 \n & 27, 32, 7, 19, 45, 0, 25, 19, 0, 23, & ! 4 \n & 25, 0, 22, 0, 0, 7, 19, 17, 36, 39, & ! 5 \n & 27, 38, 0, 0, 0, 27, 27, 27, 27, 59, & ! 6 \n & 0, 45, 27, 38, 0, 45, 27, 38, 8, 0, & ! 7 \n & 0, 0, 0, 25, 77, 18, 0, 19, 25, 25, & ! 8 \n & 77, 0, 18, 19, 32, 41, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 25, 19, 0, 0, 24, 0, 0, & ! O \n & 0, 0, 0, 0, 19, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 45, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 45, 45, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 7, 7, 7, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 133, 134, 134, 134, 135, 137, 137, 137, 137, & ! O \n & 137, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0/ ! 4 \n\n DATA ( IRR( IRXXN, 10 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 7, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 25, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 45, 0, 0, & ! 2 \n & 0, 0, 19, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 32, 19, 8, 27, 0, 0, 19, 24, 0, 45, & ! 4 \n & 19, 0, 19, 0, 0, 31, 27, 62, 7, 41, & ! 5 \n & 53, 0, 0, 0, 0, 35, 1, 36, 36, 27, & ! 6 \n & 0, 38, 36, 34, 0, 38, 36, 34, 73, 0, & ! 7 \n & 0, 0, 0, 8, 8, 19, 0, 0, 8, 8, & ! 8 \n & 8, 0, 19, 0, 19, 62, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 19, 72, 0, 0, 36, 0, 0, & ! O \n & 0, 0, 0, 0, 7, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 31, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 25, 25, 25, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 134, 135, 135, 135, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0/ ! 4 \n\n DATA ( IRR( IRXXN, 11 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 19, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 50, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 19, 45, 36, 24, 0, 0, 40, 38, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 19, 58, 45, 35, 45, & ! 5 \n & 45, 0, 0, 0, 0, 36, 36, 45, 45, 39, & ! 6 \n & 0, 66, 45, 67, 0, 66, 45, 0, 0, 0, & ! 7 \n & 0, 0, 0, 76, 0, 0, 0, 0, 80, 82, & ! 8 \n & 0, 0, 0, 0, 0, 32, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 41, 0, 0, 8, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 8, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 8, 8, 8, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 135, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0/ ! 4 \n\n DATA ( IRR( IRXXN, 12 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 45, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 45, 0, 40, 38, 0, 0, 41, 45, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 8, 57, 46, 8, 23, & ! 5 \n & 46, 0, 0, 0, 0, 45, 45, 18, 19, 35, & ! 6 \n & 0, 0, 38, 0, 0, 0, 38, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 19, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 76, 80, 82, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 136, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0/ ! 4 \n\n DATA ( IRR( IRXXN, 13 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 7, 0, 41, 45, 0, 0, 45, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 36, 0, 36, 17, 19, & ! 5 \n & 39, 0, 0, 0, 0, 0, 0, 22, 0, 45, & ! 6 \n & 0, 0, 23, 0, 0, 0, 23, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 137, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0/ ! 4 \n\n DATA ( IRR( IRXXN, 14 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 35, 0, 0, 0, 22, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 8, 0, 0, & ! 5 \n & 19, 0, 0, 0, 0, 0, 0, 19, 0, 53, & ! 6 \n & 0, 0, 66, 0, 0, 0, 66, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0/ ! 4 \n\n DATA ( IRR( IRXXN, 15 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 22, 0, 0, 0, 9, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 19, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 38, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0/ ! 4 \n\n DATA ( IRR( IRXXN, 16 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 9, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 34, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0/ ! 4 \n\n DATA ( IRR( IRXXN, 17 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 45, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0/ ! 4 \n\n DATA ( RTDAT( 1,IRXXN ), IRXXN = 1, NRXNS ) / & \n & 1.0000D+00, 5.6800D-34, 1.4000D-12, 1.0000D-31, 5.5000D-12, & ! O \n & 1.3000D-31, 8.0000D-12, 1.0000D+00, 1.0000D+00, 2.2300D-11, & ! + \n & 2.1400D-10, 1.7000D-12, 2.0300D-16, 2.4000D-11, 2.7000D-11, & ! 1 \n & 6.2000D-14, 6.9000D-31, 4.8000D-11, 2.2000D-13, 3.0800D-34, & ! + \n & 1.0000D+00, 2.9000D-12, 1.4000D-12, 3.3000D-39, 3.4500D-12, & ! 2 \n & 1.4000D-13, 1.0000D+00, 1.0000D+00, 1.8000D-11, 4.5000D-14, & ! + \n & 1.7000D-11, 2.0000D-11, 4.0000D-12, 1.0000D-17, 8.5000D-13, & ! 3 \n & 3.6000D-30, 1.3000D-03, 1.0000D+00, 1.0000D-22, 7.4000D-31, & ! + \n & 5.0000D-40, 1.0000D-20, 1.0000D+00, 2.5000D-12, 1.8000D-30, & ! 4 \n & 2.4000D-14, 1.0000D+00, 1.8000D-31, 4.1000D-05, 1.0000D+00, & ! + \n & 3.2000D-13, 4.5000D-31, 7.5000D-12, 2.7000D-28, 4.9000D-03, & ! 5 \n & 1.0000D+00, 5.2000D-13, 8.9000D-13, 2.9000D-12, 2.9000D-12, & ! + \n & 6.7000D-12, 1.0000D+00, 1.0000D+00, 1.0000D+00, 5.2000D-13, & ! 6 \n & 8.9000D-13, 3.2000D-12, 2.4000D-12, 4.8000D-13, 6.5000D-14, & ! + \n & 2.3000D-12, 3.8000D-13, 2.0000D-12, 1.0000D+00, 2.7000D-12, & ! 7 \n & 6.8000D-13, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 8 \n & 1.0000D+00, 5.3000D-12, 1.0000D+00, 5.3000D-12, 1.0000D+00, & ! + \n & 2.0000D-12, 1.0000D+00, 4.5000D-13, 4.0000D-14, 5.3000D-12, & ! 9 \n & 5.4000D-12, 1.0000D+00, 1.0000D+00, 3.4000D-11, 5.5000D-16, & ! + \n & 9.7000D-15, 2.4000D+12, 5.6000D-12, 5.6000D-15, 1.8000D-11, & ! O \n & 4.7000D-12, 1.4000D-12, 1.0000D+00, 1.3000D-11, 4.9000D-12, & ! + \n & 6.3000D-15, 1.0000D+00, 8.0000D-12, 1.0000D+00, 1.4000D-12, & ! 1 \n & 3.1000D-12, 1.0000D+00, 1.4000D-12, 1.0000D+00, 1.4000D-12, & ! + \n & 1.9000D-12, 7.7000D-12, 1.4400D-13, 1.8500D-12, 6.9000D-12, & ! 2 \n & 2.8500D-12, 3.0000D-12, 1.0000D+00, 1.0000D+00, 1.4100D-12, & ! + \n & 7.6000D-12, 8.1000D-13, 5.7000D+12, 1.5000D-14, 8.6000D-12, & ! 3 \n & 5.0000D-30, 1.0400D-11, 8.6000D-29, 9.1000D-15, 3.3000D-12, & ! + \n & 1.0000D-11, 8.0000D-27, 5.5000D-15, 4.6000D-13, 2.3000D-11, & ! 4 \n & 1.0500D-11, 4.7000D-15, 3.7000D-13, 2.7000D-11, 3.0000D-11, & ! + \n & 2.3900D-12, 7.4300D-13, 1.0000D+00, 1.0000D+00, 3.3000D+09, & ! 5 \n & 1.0300D-14, 3.0300D-12, 5.5800D-12, 3.8800D-15, 4.1000D-12, & ! + \n & 1.0000D+00, 2.2300D-11, 1.0000D+00, 6.0000D-12, 5.7800D-11, & ! 6 \n & 7.4300D-13, 2.3900D-12, 1.0000D+00, 1.0000D+00, 3.1000D-11, & ! + \n & 3.6000D-11, 1.5000D-11, 1.2000D-15, 3.7000D-12, 3.6000D-11, & ! 7 \n & 1.5000D-11, 1.2000D-15, 3.7000D-12, 2.3000D-12, 2.7000D-12, & ! + \n & 1.0000D+00, 1.9000D-13, 1.0000D+00, 1.8000D-12, 2.7000D-12, & ! 8 \n & 1.0000D+00, 1.9000D-13, 1.0000D+00, 1.8500D-11, 1.8500D-11, & ! + \n & 2.7000D-12, 1.9000D-13, 1.0000D+00, 1.0000D+00, 1.7000D-12, & ! 9 \n & 1.4000D-11, 2.1000D-12, 5.5000D-12, 1.5300D-12, 3.8000D-12, & ! + \n & 1.0000D+00, 5.0000D-02, 9.0000D-11, 1.0800D-16, 3.0000D-12, & ! O \n & 2.8000D-02, 4.4000D-11, 5.4000D-17, 3.8000D-12, 5.0000D-11, & ! + \n & 1.7000D-10, 1.0000D-11, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 1 \n & 1.0000D+00, 1.0000D+00, 3.6000D-11, 3.0000D-12, 1.8500D-12, & ! + \n & 2.3700D-21, 1.0000D+00, 4.8100D-20, 1.0000D+00, 1.0000D+00, & ! 2 \n & 1.0000D+00, 2.3000D-11, 1.6300D-14, 6.4000D-12, 2.2000D-12, & ! + \n & 3.2000D-12, 5.0000D-13, 1.0000D+00, 6.6000D-12, 5.0000D-11, & ! 3 \n & 1.4000D-10, 8.3000D-11, 1.0700D-10, 2.5000D-10, 3.5000D-10, & ! + \n & 4.3000D-10, 8.2000D-11, 7.9000D-11, 1.3000D-10, 5.5000D-11, & ! 4 \n & 8.2000D-11, 6.5800D-13, 6.1000D-11, 1.2000D-10, 1.2000D-10, & ! + \n & 1.0000D+00, 1.8000D-31, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 5 \n & 2.7000D-12, 1.9000D-13, 2.7000D-12, 1.9000D-13, 2.7000D-12, & ! + \n & 1.9000D-13, 1.1600D-14, 1.9700D-10, 1.9000D-11, 2.7000D-12, & ! 6 \n & 1.9000D-13, 2.7000D-12, 1.4000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 7 \n & 1.0000D+00, 6.7006D-11, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 2.6000D-12, 2.6500D-13, 2.3000D-12, & ! 8 \n & 3.5000D-14, 1.9200D-10, 7.2000D-12, 1.0000D+00, 9.2590D-05, & ! + \n & 9.4882D-06, 9.4882D-06, 9.4882D-06, 9.4882D-06, 9.4882D-06, & ! 9 \n & 9.4882D-06, 2.5000D-12, 1.0000D+00, 2.5000D-12, 1.0000D+00, & ! + \n & 1.2500D-11, 4.0000D-11, 4.0000D-11, 4.0000D-11, 4.0000D-11, & ! O \n & 4.0000D-11, 4.0000D-11, 4.0000D-11, 4.0000D-11, 4.0000D-11, & ! + \n & 4.0000D-11, 5.4000D-12, 5.5000D-16, 3.4000D-11, 1.0000D+00, & ! 1 \n & 1.0000D+00, 8.2000D-11, 4.7000D-12, 1.4000D-12, 1.8000D-11, & ! + \n & 1.0000D+00, 7.9000D-11, 1.4800D-11, 1.3400D-14, 1.7900D-13, & ! 2 \n & 2.5100D-10, 2.0000D-11, 2.6100D-19, 1.1500D-15, 1.0000D+00, & ! + \n & 2.3700D-10, 2.0000D-11, 2.6100D-19, 1.1500D-15, 1.0000D+00, & ! 3 \n & 2.3700D-10, 1.8000D-12, 6.1000D-11, 2.1100D-18, 2.6000D-18, & ! + \n & 8.5000D-19, 7.7000D-14, 2.2500D-33/ ! 4 \n\n DATA ( RTDAT( 2,IRXXN ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00,-2.6000D+00, 0.0000D+00,-1.6000D+00, 0.0000D+00, & ! O \n & -1.5000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 4.5700D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 2.6000D+00,-8.0000D-01, 0.0000D+00, 6.0000D+02, 2.8000D+03, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & -4.1000D+00,-3.5000D+00, 0.0000D+00, 0.0000D+00,-2.4000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00,-3.0000D+00, & ! 4 \n & 4.6000D+02, 0.0000D+00,-3.2000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00,-3.9000D+00, 0.0000D+00,-7.1000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 5.4000D+01, 5.5000D+01, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 7.0000D+01, 0.0000D+00, & ! 7 \n & 0.0000D+00, 5.8000D+01, 7.0000D+01, 7.5000D+01, 7.6000D+01, & ! + \n & 5.8000D+01, 7.0000D+01, 7.5000D+01, 7.6000D+01, 5.8000D+01, & ! 8 \n & 7.0000D+01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & -1.5000D+00, 0.0000D+00,-3.1000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00,-3.5000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 5.8000D+01, 7.0000D+01, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 5.8000D+01, 7.0000D+01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 5.8000D+01, 0.0000D+00, 7.0000D+01, 0.0000D+00, 0.0000D+00, & ! 8 \n & 5.8000D+01, 0.0000D+00, 7.0000D+01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 5.8000D+01, 7.0000D+01, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 5.4000D+01, 5.5000D+01, 5.7000D+01, & ! 1 \n & 5.9000D+01, 5.8000D+01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 1.1600D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00,-3.4000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 3.4153D-08, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00/ ! 4 \n\n DATA ( RTDAT( 3,IRXXN ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00,-1.3100D+03, 0.0000D+00, 1.8800D+02, & ! O \n & 0.0000D+00,-2.0600D+03, 0.0000D+00, 0.0000D+00, 1.1500D+02, & ! + \n & 0.0000D+00,-9.4000D+02, 6.9300D+02, 1.1000D+02, 2.2400D+02, & ! 1 \n & 9.4500D+02, 0.0000D+00, 2.5000D+02, 1.9000D-33, 2.6600D-54, & ! + \n & 0.0000D+00,-1.6000D+02,-2.0000D+03, 5.3000D+02, 2.7000D+02, & ! 2 \n & -2.4700D+03, 0.0000D+00, 0.0000D+00, 1.1000D+02,-1.2600D+03, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00,-2.4500D+03, & ! 3 \n & 0.0000D+00,-1.1000D+04, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.6000D+02, 0.0000D+00, & ! 4 \n & 2.7000D-17, 0.0000D+00, 0.0000D+00,-1.0650D+04, 0.0000D+00, & ! + \n & 6.9000D+02, 0.0000D+00, 2.9000D+02, 0.0000D+00,-1.2100D+04, & ! 5 \n & 0.0000D+00, 9.8000D+02, 8.0000D+02, 5.0000D+02, 5.0000D+02, & ! + \n & 3.4000D+02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 9.8000D+02, & ! 6 \n & 8.0000D+02, 5.0000D+02, 3.6000D+02, 8.0000D+02, 5.0000D+02, & ! + \n & 3.6000D+02, 7.8000D+02, 5.0000D+02, 0.0000D+00, 3.6000D+02, & ! 7 \n & 8.0000D+02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 1.9000D+02, 0.0000D+00, 1.9000D+02, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 8.5000D+02, 1.9000D+02, & ! 9 \n & 1.3500D+02, 0.0000D+00, 0.0000D+00,-1.6000D+03, 0.0000D+00, & ! + \n & 6.2500D+02,-7.0000D+03, 0.0000D+00, 2.3000D+03,-1.1000D+03, & ! O \n & 3.4500D+02,-1.8600D+03, 0.0000D+00,-8.7000D+02, 4.0500D+02, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00,-1.8600D+03, & ! 1 \n & 3.4000D+02, 0.0000D+00,-1.8600D+03, 0.0000D+00,-1.8600D+03, & ! + \n & 5.7500D+02,-2.1000D+03, 3.4300D-33,-1.6900D+03,-1.0000D+03, & ! 2 \n & -3.4500D+02, 2.0000D+01, 0.0000D+00, 0.0000D+00,-6.2060D+02, & ! + \n & -5.8500D+02, 0.0000D+00,-5.7800D+03,-2.0000D+02, 4.0000D+02, & ! 3 \n & 0.0000D+00,-7.9200D+02, 0.0000D+00,-2.5800D+03,-2.8800D+03, & ! + \n & -2.8000D+02, 0.0000D+00,-1.8800D+03,-1.1550D+03, 0.0000D+00, & ! 4 \n & 5.1900D+02,-1.0130D+03, 0.0000D+00, 3.9000D+02, 0.0000D+00, & ! + \n & 3.6500D+02, 7.0000D+02, 0.0000D+00, 0.0000D+00,-8.3000D+03, & ! 5 \n & -1.9950D+03,-4.4800D+02, 5.1100D+02,-1.7700D+03,-1.8600D+03, & ! + \n & 0.0000D+00, 3.7200D+02, 0.0000D+00,-1.8600D+03,-4.0000D+02, & ! 6 \n & 7.0000D+02, 3.6500D+02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 4.4900D+02,-8.2100D+02, 1.7500D+02, 0.0000D+00, & ! 7 \n & 4.4900D+02,-8.2100D+02, 1.7500D+02,-1.9000D+02, 3.6000D+02, & ! + \n & 0.0000D+00, 1.3000D+03, 0.0000D+00, 3.4000D+02, 3.6000D+02, & ! 8 \n & 0.0000D+00, 1.3000D+03, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 3.6000D+02, 1.3000D+03, 0.0000D+00, 0.0000D+00, 9.5000D+02, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00,-5.0000D+02, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00,-5.0000D+02, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00,-1.6900D+03, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00,-2.0000D+02, 0.0000D+00, 2.9000D+02, 3.4000D+02, & ! + \n & -1.1000D+02, 0.0000D+00, 0.0000D+00,-1.2400D+03, 0.0000D+00, & ! 3 \n & 0.0000D+00,-1.0000D+02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00,-3.4000D+01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 4.5000D+01, 5.8000D+01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 3.6000D+02, 1.3000D+03, 3.6000D+02, 1.3000D+03, 3.6000D+02, & ! + \n & 1.3000D+03, 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.6000D+02, & ! 6 \n & 1.3000D+03, 3.7400D+02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 2.0000D-06, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 3.8000D+02, 1.3000D+03, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.3500D+02, 0.0000D+00,-1.6000D+03, 0.0000D+00, & ! 1 \n & 0.0000D+00,-3.4000D+01, 3.4500D+02,-1.8600D+03,-1.1000D+03, & ! + \n & 0.0000D+00, 0.0000D+00, 4.4800D+02,-2.2830D+03, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 3.4000D+02, 0.0000D+00,-1.2565D+03, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 6.8000D+02/ ! 4 \n INTEGER :: IRRFALL( NFALLOFF )\n\n DATA ( IRRFALL( IRXXN ), IRXXN = 1, NFALLOFF ) / & \n & 6, 17, 19, 20, 36, 37, 40, 45, 46, 48, & \n & 49, 52, 54, 55, 123, 136, 138, 142, 221, 223, & \n & 252, 277/\n\n DATA ( RFDAT( 1,IRXXN ), IRXXN = 1, NFALLOFF ) / & \n & 2.3000D-11, 2.6000D-11, 9.8000D+02, 3.1800D+03, 1.9000D-12, & \n & 9.7000D+14, 3.3000D-11, 2.8000D-11, 2.1990D+03, 4.7000D-12, & \n & 4.8000D+15, 1.3000D-12, 1.2000D-11, 5.4000D+16, 0.0000D+00, & \n & 1.0000D-12, 9.0000D-12, 3.0000D-11, 4.3000D-01, 4.3000D-01, & \n & 1.5000D-11, 1.0743D+01/\n\n DATA ( RFDAT( 2,IRXXN ), IRXXN = 1, NFALLOFF ) / & \n & 2.4000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.0000D-01, & \n & 1.0000D-01,-3.0000D-01, 0.0000D+00, 6.5000D-34, 0.0000D+00, & \n & 0.0000D+00,-7.0000D-01,-9.0000D-01, 0.0000D+00, 0.0000D+00, & \n & 0.0000D+00,-8.5000D-01,-1.0000D+00,-8.0000D+00,-8.0000D+00, & \n & -1.9000D+00,-6.7130D-01/\n\n DATA ( RFDAT( 3,IRXXN ), IRXXN = 1, NFALLOFF ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & \n & -1.1080D+04, 0.0000D+00, 0.0000D+00, 1.3350D+03, 0.0000D+00, & \n & -1.1170D+04, 0.0000D+00, 0.0000D+00,-1.3830D+04, 0.0000D+00, & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & \n & 0.0000D+00, 0.0000D+00/\n\n DATA ( RFDAT( 4,IRXXN ), IRXXN = 1, NFALLOFF ) / & \n & 6.0000D-01, 5.0000D-01, 0.0000D+00, 0.0000D+00, 3.5000D-01, & \n & 3.5000D-01, 8.1000D-01, 6.0000D-01, 0.0000D+00, 6.0000D-01, & \n & 6.0000D-01, 5.3000D-01, 3.0000D-01, 3.0000D-01, 0.0000D+00, & \n & 3.7000D-01, 4.8000D-01, 5.0000D-01, 4.1000D-01, 4.1000D-01, & \n & 6.0000D-01, 0.0000D+00/\n\n DATA ( RFDAT( 5,IRXXN ), IRXXN = 1, NFALLOFF ) / & \n & 1.0000D+00, 1.1300D+00, 0.0000D+00, 0.0000D+00, 1.3300D+00, & \n & 1.3300D+00, 8.7000D-01, 1.0000D+00, 0.0000D+00, 1.0000D+00, & \n & 1.0000D+00, 1.1000D+00, 1.4100D+00, 1.4100D+00, 0.0000D+00, & \n & 1.3000D+00, 1.1500D+00, 1.1300D+00, 1.0000D+00, 1.0000D+00, & \n & 1.0000D+00, 0.0000D+00/\n\n REAL( 8 ) :: SC( NRXNS,MXPRD )\n\n DATA ( SC( IRXXN, 1 ), IRXXN = 1, NRXNS ) / & \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! O \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 2.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 1 \n & 1.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 2.0000D+00, 1.0000D+00, 1.0000D+00, 2.0000D+00, 1.0000D+00, & ! 2 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 2.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 2.0000D+00, & ! 3 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 2.0000D+00, 1.0000D+00, & ! + \n & 2.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 4 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 5.9000D-01, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 5 \n & 6.0000D-01, 4.1000D-01, 1.0000D+00, 2.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 6.0000D-01, 4.1000D-01, & ! 6 \n & 8.0000D-01, 2.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, & ! + \n & 1.0000D+00, 9.0000D-01, 1.0000D+00, 6.8500D-01, 1.0000D+00, & ! 7 \n & 1.0000D+00, 8.0000D-01, 6.0000D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 8.0000D-01, 1.0000D+00, 5.0000D-01, 1.0000D+00, 8.0000D-01, & ! 8 \n & 1.0000D+00, 6.0000D-01, 1.0000D+00, 5.4000D-01, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 9 \n & 1.0000D+00, 2.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 5.0000D-01, 1.0000D+00, & ! O \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 2.0000D-01, 7.4000D-01, 1.0000D+00, & ! 1 \n & 1.8000D+00, 2.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 9.9100D-01, & ! 2 \n & 1.0000D+00, 9.5000D-01, 5.0000D-01, 3.8000D-01, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 2.0000D-01, 1.0000D+00, 1.0000D+00, & ! 3 \n & 7.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 5.0000D-01, & ! + \n & 2.0000D-01, 7.8100D-01, 2.9500D-01, 5.0000D-01, 1.2400D+00, & ! 4 \n & 1.3000D+00, 7.3200D-01, 5.0000D-01, 1.0000D+00, 7.5000D-01, & ! + \n & 1.0000D-01, 8.8000D-01, 5.9800D-01, 5.9800D-01, 1.0000D+00, & ! 5 \n & 6.0000D-01, 3.5000D-01, 2.2000D-02, 4.0000D-02, 7.1700D-01, & ! + \n & 7.6000D-01, 9.0400D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 6 \n & 2.7500D-01, 2.7500D-01, 2.2000D-01, 2.7500D-01, 6.3000D-01, & ! + \n & 1.5000D-01, 7.5000D-01, 5.7000D-01, 4.7000D-01, 1.5000D-01, & ! 7 \n & 7.5000D-01, 5.7000D-01, 4.7000D-01, 5.3000D-01, 9.1800D-01, & ! + \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 1.8000D-01, 8.6000D-01, & ! 8 \n & 4.8000D-01, 0.0000D+00, 4.8000D-01, 1.5500D-01, 1.5500D-01, & ! + \n & 8.6000D-01, 0.0000D+00, 2.6000D-01, 2.6000D-01, 2.5000D-02, & ! 9 \n & 3.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 4.0000D-01, 1.0000D+00, 1.2000D+00, 5.0000D-01, & ! O \n & 1.0000D+00, 6.0000D-01, 1.4000D+00, 1.0000D+00, 1.4000D-01, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 4.1000D-01, & ! 1 \n & 1.0000D+00, 8.0000D-01, 5.0000D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 7.3200D-01, 1.0000D+00, 1.2600D-01, 2.0000D+00, & ! 2 \n & 1.0000D+00, 1.0000D+00, 3.0000D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 3 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 3.0000D-01, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 4 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 5 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 6 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 7 \n & 5.0000D-01, 0.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 8 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, & ! + \n & 9.0700D-01, 9.2500D-01, 9.4300D-01, 5.0000D-01, 5.0000D-01, & ! 9 \n & 1.5000D+00, 1.2500D+00, 1.0000D+00, 1.2500D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! O \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 2 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, & ! 3 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 5.0000D-01, 1.0000D+00, & ! + \n & 1.0000D+00, 5.0000D-01, 5.0000D-01/ ! 4 \n\n DATA ( SC( IRXXN, 2 ), IRXXN = 1, NRXNS ) / & \n & 1.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, & ! 2 \n & 0.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, 5.9000D-01, & ! + \n & 0.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, & ! 5 \n & 6.0000D-01, 1.5000D-01, 0.0000D+00, 2.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 6.0000D-01, 1.5000D-01, & ! 6 \n & 8.0000D-01, 2.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 1.0000D+00, 1.0000D-01, 9.0000D-01, 3.1500D-01, 1.0000D+00, & ! 7 \n & 0.0000D+00, 8.0000D-01, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 2.0000D-01, 0.0000D+00, 5.0000D-01, 0.0000D+00, 8.0000D-01, & ! 8 \n & 0.0000D+00, 6.0000D-01, 1.0000D+00, 6.0000D-02, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! 9 \n & 1.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 1.0000D+00, 5.0000D-01, 1.0000D+00, & ! O \n & 0.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 2.0000D-01, 8.9000D-01, 1.0000D+00, & ! 1 \n & 2.0000D-01, 2.0000D+00, 1.5000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 9.9100D-01, & ! 2 \n & 1.0000D+00, 9.0000D-01, 5.0000D-01, 1.3800D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 4.2000D-01, 1.0000D+00, 0.0000D+00, & ! 3 \n & 7.0000D-01, 1.0000D+00, 1.0000D+00, 5.1000D-01, 5.0000D-01, & ! + \n & 3.0000D-01, 4.8800D-01, 5.5500D-01, 5.0000D-01, 6.6000D-01, & ! 4 \n & 7.0000D-01, 4.4200D-01, 5.0000D-01, 1.0000D+00, 5.0000D-01, & ! + \n & 9.0000D-01, 1.2000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 5 \n & 6.5000D-01, 6.5000D-01, 5.2100D-01, 2.3100D-01, 1.4200D-01, & ! + \n & 3.4000D-01, 9.3300D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 6 \n & 2.7500D-01, 2.7500D-01, 2.2000D-01, 2.7500D-01, 3.7000D-01, & ! + \n & 5.1200D+00, 5.0000D-01, 7.0000D-02, 2.8000D-01, 5.1200D+00, & ! 7 \n & 5.0000D-01, 7.0000D-02, 2.8000D-01, 3.5200D-01, 8.2000D-02, & ! + \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 6.5000D-01, 1.4000D-01, & ! 8 \n & 5.2000D-01, 0.0000D+00, 5.2000D-01, 5.4400D-01, 5.4400D-01, & ! + \n & 1.4000D-01, 0.0000D+00, 7.7000D-01, 7.7000D-01, 2.5000D-02, & ! 9 \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 5.0000D-01, 5.0000D-01, & ! + \n & 1.0000D+00, 1.0000D+00, 4.0000D-01, 5.0000D-01, 5.0000D-01, & ! O \n & 1.0000D+00, 4.0000D-01, 2.4000D-01, 1.0000D+00, 2.0000D-01, & ! + \n & 1.0000D+00, 5.0000D-01, 0.0000D+00, 1.0000D+00, 1.5000D-01, & ! 1 \n & 1.0000D+00, 8.0000D-01, 5.0000D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 2.6800D-01, 1.0000D+00, 8.7400D-01, 0.0000D+00, & ! 2 \n & 1.0000D+00, 0.0000D+00, 1.4000D+00, 1.0000D+00, 0.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 3 \n & 1.0000D+00, 9.9100D-01, 2.0000D+00, 3.3000D-01, 7.0000D-01, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 4 \n & 1.0000D+00, 0.0000D+00, 1.8000D-01, 1.5500D-01, 1.5500D-01, & ! + \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 5 \n & 1.6000D-02, 1.4000D-01, 1.5000D-02, 1.9300D-01, 3.4000D-02, & ! + \n & 1.4600D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 2.8000D-02, & ! 6 \n & 4.7300D-01, 6.0000D-03, 0.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 5.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 6.8800D-01, 1.0000D+00, 4.2200D-01, & ! 8 \n & 7.1100D-01, 3.7000D-01, 2.4000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! + \n & 1.0000D+00, 4.8570D-01, 3.0030D-01, 3.8560D-01, 2.1810D-01, & ! O \n & 2.4120D-01, 6.6640D-01, 2.8580D-01, 3.3030D-01, 3.4440D-01, & ! + \n & 3.8860D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 5.8000D-01, 5.2000D-01, 4.5000D-02, & ! 2 \n & 5.8000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 5.0000D-01, 1.0000D+00, & ! + \n & 1.0000D+00, 5.0000D-01, 5.0000D-01/ ! 4 \n\n DATA ( SC( IRXXN, 3 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.1000D-01, & ! + \n & 0.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 4.0000D-01, 1.5000D-01, 0.0000D+00, 0.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 4.0000D-01, 1.5000D-01, & ! 6 \n & 8.0000D-01, 2.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 9.0000D-01, 3.7000D-01, 0.0000D+00, & ! 7 \n & 0.0000D+00, 2.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 8.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.0000D-01, & ! 8 \n & 0.0000D+00, 4.0000D-01, 1.0000D+00, 6.0000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 2.0000D-01, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 8.0000D-01, 1.4000D+00, 0.0000D+00, & ! 1 \n & 2.0000D-01, 0.0000D+00, 5.0000D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 9.0000D-03, & ! 2 \n & 0.0000D+00, 1.0000D-01, 5.0000D-01, 1.3800D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 7.4000D-01, 0.0000D+00, 0.0000D+00, & ! 3 \n & 3.0000D-01, 1.0000D+00, 1.5600D+00, 1.6000D-01, 5.0000D-01, & ! + \n & 1.0000D-01, 4.8800D-01, 2.7000D-01, 4.8000D-01, 1.0000D-01, & ! 4 \n & 1.0000D+00, 1.2800D-01, 4.8000D-01, 1.0000D+00, 2.5000D-01, & ! + \n & 6.7300D-01, 1.2000D-01, 7.2800D-01, 7.2800D-01, 0.0000D+00, & ! 5 \n & 1.5000D-01, 6.4000D-01, 1.1500D-01, 5.3100D-01, 1.4200D-01, & ! + \n & 1.6000D-01, 6.7000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 2.7500D-01, 2.7500D-01, 2.2000D-01, 2.7500D-01, 1.0000D+00, & ! + \n & 1.0000D+00, 2.5000D-01, 6.9000D-01, 7.5000D-01, 1.0000D+00, & ! 7 \n & 2.5000D-01, 6.9000D-01, 7.5000D-01, 3.5200D-01, 9.1800D-01, & ! + \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 7.2000D-01, 4.1700D-01, & ! 8 \n & 7.7000D-01, 0.0000D+00, 7.7000D-01, 6.0200D-01, 6.0200D-01, & ! + \n & 2.2100D-01, 0.0000D+00, 3.5000D-01, 3.5000D-01, 1.0000D+00, & ! 9 \n & 4.8000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 7.0000D-01, 2.0000D+00, 6.0000D-01, 4.5000D-01, & ! O \n & 1.0000D+00, 4.0000D-01, 5.0000D-01, 0.0000D+00, 5.0000D-01, & ! + \n & 0.0000D+00, 5.0000D-01, 0.0000D+00, 0.0000D+00, 1.5000D-01, & ! 1 \n & 1.0000D+00, 1.8000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 2.6800D-01, 0.0000D+00, 1.2600D-01, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, & ! 3 \n & 9.7000D-01, 9.9100D-01, 1.0000D+00, 6.7000D-01, 4.5000D-01, & ! + \n & 9.6000D-01, 1.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, & ! 4 \n & 1.0000D+00, 0.0000D+00, 6.5000D-01, 5.4400D-01, 5.4400D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 5.1000D-02, 0.0000D+00, 2.3000D-02, 0.0000D+00, 3.9200D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.2500D-01, & ! 6 \n & 0.0000D+00, 5.2000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 6.2000D-03, 2.8620D-01, 9.5000D-02, 3.0630D-01, & ! O \n & 2.0890D-01, 1.4300D-02, 3.9310D-01, 2.2720D-01, 2.7490D-01, & ! + \n & 2.4210D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 1.0000D+00/ ! 4 \n\n DATA ( SC( IRXXN, 4 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.1000D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 4.0000D-01, 4.4000D-01, 0.0000D+00, 0.0000D+00, 2.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 4.0000D-01, 4.4000D-01, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.0000D-01, 1.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 8.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 8.0000D-01, & ! 8 \n & 0.0000D+00, 4.0000D-01, 0.0000D+00, 4.0000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.0000D-01, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 0.0000D+00, 1.5000D-01, 0.0000D+00, & ! 1 \n & 1.0000D+00, 0.0000D+00, 5.0000D-01, 0.0000D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, & ! 2 \n & 0.0000D+00, 1.0000D-01, 5.0000D-01, 6.2000D-01, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 3.7000D-01, 0.0000D+00, 0.0000D+00, & ! 3 \n & 3.0000D-01, 7.0000D-01, 2.2000D-01, 1.6000D-01, 5.0000D-01, & ! + \n & 2.0000D-01, 9.7600D-01, 1.5000D-01, 4.8000D-01, 1.0000D-01, & ! 4 \n & 1.0000D+00, 2.4500D-01, 4.8000D-01, 0.0000D+00, 2.5000D-01, & ! + \n & 9.0000D-01, 1.2000D-01, 7.2000D-02, 7.2000D-02, 0.0000D+00, & ! 5 \n & 2.0000D-01, 3.3000D-01, 1.1500D-01, 1.7000D-01, 1.4200D-01, & ! + \n & 3.4000D-01, 6.7000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 1.1250D+00, 1.2500D-01, 1.0000D-01, 1.2500D-01, 4.4400D-01, & ! + \n & 0.0000D+00, 1.5000D+00, 1.8000D-01, 2.5000D-01, 0.0000D+00, & ! 7 \n & 1.5000D+00, 1.8000D-01, 2.5000D-01, 1.1800D-01, 9.1800D-01, & ! + \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D-01, 4.4300D-01, & ! 8 \n & 2.3000D-01, 0.0000D+00, 2.3000D-01, 2.4400D-01, 2.4400D-01, & ! + \n & 6.7500D-01, 0.0000D+00, 6.5000D-01, 6.5000D-01, 2.0000D-01, & ! 9 \n & 1.2000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 1.0000D+00, 7.0000D-01, 2.0000D+00, 1.0000D-01, 4.5000D-01, & ! O \n & 0.0000D+00, 4.0000D-01, 1.2000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 8.0000D-01, 0.0000D+00, 0.0000D+00, 4.4000D-01, & ! 1 \n & 2.0000D+00, 2.0000D-01, 5.0000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 0.0000D+00, 8.7400D-01, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 3.0000D-02, 9.0000D-03, 1.0000D+00, 2.0000D+00, 5.5000D-01, & ! + \n & 4.0000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 7.2000D-01, 6.0200D-01, 6.0200D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 4.7000D-02, 0.0000D+00, 6.0000D-02, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.9100D-01, & ! 6 \n & 0.0000D+00, 8.1000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 2.5000D-03, 4.1000D-03, 1.3730D-01, 1.5300D-02, & ! O \n & 3.0000D-01, 1.2300D-02, 1.3900D-02, 2.6070D-01, 4.9100D-02, & ! + \n & 6.4000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.0000D+00/ ! 4 \n\n DATA ( SC( IRXXN, 5 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 4.0000D-01, 4.4000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.0000D-01, 4.4000D-01, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 9.0000D-01, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 0.0000D+00, 1.9000D-01, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 7.8000D-02, 5.0000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 4.0000D-02, 0.0000D+00, 0.0000D+00, & ! 3 \n & 3.0000D-01, 7.0000D-01, 0.0000D+00, 3.7000D-01, 1.0000D+00, & ! + \n & 2.0000D-01, 1.9500D-01, 1.5000D-01, 4.0000D-02, 1.0000D-01, & ! 4 \n & 0.0000D+00, 5.0000D-01, 4.0000D-02, 0.0000D+00, 2.5000D-01, & ! + \n & 8.1800D-01, 1.2000D-01, 8.0000D-01, 1.0720D+00, 0.0000D+00, & ! 5 \n & 3.5000D-01, 3.0000D-02, 2.6900D-01, 1.7000D-01, 1.4200D-01, & ! + \n & 2.0800D-01, 2.9000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 8.2500D-01, 8.2500D-01, 6.6000D-01, 8.2500D-01, 1.8500D-01, & ! + \n & 0.0000D+00, 2.8000D-01, 9.4000D-01, 1.2800D+00, 0.0000D+00, & ! 7 \n & 2.8000D-01, 9.4000D-01, 1.2800D+00, 1.1800D-01, 9.1800D-01, & ! + \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D-01, 6.6000D-01, & ! 8 \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 2.4400D-01, 2.4400D-01, & ! + \n & 3.0000D-01, 0.0000D+00, 1.0000D+00, 1.0000D+00, 7.3200D-01, & ! 9 \n & 2.4000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 3.0000D-01, 0.0000D+00, 5.0000D-01, 1.0000D-01, & ! O \n & 0.0000D+00, 0.0000D+00, 8.0000D-02, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 2.0000D-01, 0.0000D+00, 0.0000D+00, 4.4000D-01, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 1.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, 3.0000D-01, & ! + \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 1.0000D-01, 2.4400D-01, 2.4400D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 2.6000D-03, 3.5000D-03, 5.0000D-04, 1.0430D-01, & ! O \n & 2.0280D-01, 1.2390D-01, 1.0270D-01, 7.0200D-02, 2.5770D-01, & ! + \n & 3.8500D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00/ ! 4 \n\n DATA ( SC( IRXXN, 6 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 4.4000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.0000D-01, 4.4000D-01, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.1000D-01, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 1.1000D-02, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 9.4000D-01, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 3.0000D-01, 0.0000D+00, 0.0000D+00, 1.1250D+00, & ! + \n & 2.0000D-01, 2.4000D-02, 3.3400D-01, 1.0000D+00, 1.0000D-01, & ! 4 \n & 0.0000D+00, 3.0000D-01, 1.0000D+00, 0.0000D+00, 2.5000D-01, & ! + \n & 8.2000D-02, 0.0000D+00, 2.0000D-01, 0.0000D+00, 0.0000D+00, & ! 5 \n & 2.6600D-01, 1.0000D+00, 2.6900D-01, 5.4300D-01, 1.1300D-01, & ! + \n & 2.6000D-01, 2.9000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 3.7500D-01, 3.7500D-01, 3.0000D-01, 3.7500D-01, 1.0400D-01, & ! + \n & 0.0000D+00, 1.6600D+00, 2.4000D-01, 4.7000D-01, 0.0000D+00, & ! 7 \n & 1.6600D+00, 2.4000D-01, 4.7000D-01, 5.3000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 7.0000D-02, 2.0000D-01, & ! 8 \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 5.8000D-02, 5.8000D-02, & ! + \n & 5.6000D-01, 0.0000D+00, 1.0000D+00, 1.0000D+00, 2.0000D-02, & ! 9 \n & 2.4000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.0000D-01, 1.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 2.0000D-02, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.4000D-01, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00,-1.2600D-01, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00,-1.0000D+00, 3.0000D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 1.0000D-01, 2.4400D-01, 2.4400D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 2.3000D-03, 2.2390D-01, 2.0510D-01, 1.8930D-01, & ! O \n & 4.7100D-02, 1.8310D-01, 2.0450D-01, 1.1160D-01, 7.3900D-02, & ! + \n & 2.6670D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00/ ! 4 \n\n DATA ( SC( IRXXN, 7 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.4000D-01, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.1000D-01, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00,-2.5000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 9.8000D-01, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 1.0000D-02, 1.1950D+00, 8.0000D-02, 5.0000D-01, 0.0000D+00, & ! 4 \n & 0.0000D+00, 3.0000D-01, 5.0000D-01, 0.0000D+00, 2.5000D-01, & ! + \n & 8.2000D-02, 0.0000D+00, 8.7200D-01, 0.0000D+00, 0.0000D+00, & ! 5 \n & 2.0000D-01, 3.5000D-01, 4.5700D-01, 4.6100D-01, 1.1300D-01, & ! + \n & 2.4000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 7.4000D-02, 1.0000D+00, 2.0000D-01, 2.5100D-01, 5.9200D-01, & ! + \n & 0.0000D+00, 4.7000D-01, 1.0000D-03, 5.3000D-01, 0.0000D+00, & ! 7 \n & 4.7000D-01, 1.0000D-03, 5.3000D-01, 1.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.8000D-01, 8.6000D-01, & ! 8 \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 1.5500D-01, 1.5500D-01, & ! + \n & 8.6000D-01, 0.0000D+00, 1.0000D+00, 0.0000D+00, 2.0000D-02, & ! 9 \n & 4.8000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.0000D-01, 2.5000D-01, & ! O \n & 0.0000D+00, 0.0000D+00, 1.9800D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.4000D-01, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.7000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 7.0000D-02, 5.8000D-02, 5.8000D-02, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 2.9440D-01, 1.8200D-01, 1.7640D-01, 1.6680D-01, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00/ ! 4 \n\n DATA ( SC( IRXXN, 8 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.1000D-01, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 2.0000D-02, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 2.1000D-01,-7.3000D-01, 3.7800D-01, 2.5000D-01, 0.0000D+00, & ! 4 \n & 0.0000D+00, 2.4000D-01, 6.2500D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 2.0000D-01, 3.5000D-01, 1.1700D-01, 1.5000D-01, 7.1700D-01, & ! + \n & 2.4000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 2.5100D-01, 2.5100D-01, 1.7400D+00, 2.1750D+00, 3.3100D-01, & ! + \n & 0.0000D+00, 1.0000D+00, 7.0000D+00, 1.0000D+00, 0.0000D+00, & ! 7 \n & 1.0000D+00, 7.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 1.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.5000D-01, & ! O \n & 0.0000D+00, 0.0000D+00, 5.6000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 1.8000D-01, 1.5500D-01, 1.5500D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 2.0210D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00/ ! 4 \n\n DATA ( SC( IRXXN, 9 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00,-2.7000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 2.0000D-01, 0.0000D+00, 7.5000D-02, 3.7500D-01, 0.0000D+00, & ! 4 \n & 0.0000D+00, 6.0000D-02, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 6.6000D-02, 1.0000D+00, 1.3700D-01, 3.9800D-01, 7.1700D-01, & ! + \n & 1.7000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 2.1750D+00, 2.1750D+00, 8.0000D-01, 1.0000D+00, 1.8500D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 2.1000D-01, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 2.1000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 7.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.9000D-03, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00/ ! 4 \n\n DATA ( SC( IRXXN, 10 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 1.0000D-01, 0.0000D+00, 7.5000D-02,-1.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 2.9000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 6.6000D-02, 0.0000D+00, 1.3700D-01, 1.4300D-01, 2.8400D-01, & ! + \n & 1.2800D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 2.0000D-01, 0.0000D+00, 2.7000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 3.9000D-01, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 3.9000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 2.3000D-03, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00/ ! 4 \n\n DATA ( SC( IRXXN, 11 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 9.0000D-02, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 8.0000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 1.3700D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 8.4000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 8.0000D-01, 0.0000D+00, 9.8000D-02, & ! + \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00/ ! 4 \n\n DATA ( SC( IRXXN, 12 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.3000D-01, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 8.0000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 6.5800D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 7.8000D-02, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00/ ! 4 \n\n DATA ( SC( IRXXN, 13 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 4.0000D-02, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.6600D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00/ ! 4 \n\n DATA ( SC( IRXXN, 14 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00,-7.9000D-01, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00/ ! 4 \n\n INTEGER :: NREACT( NRXNS )\n\n DATA ( NREACT( IRXXN ), IRXXN = 1, NRXNS ) / & \n & 1, 1, 2, 2, 2, 2, 2, 1, 1, 1, & ! O \n & 1, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 1 \n & 1, 2, 2, 2, 2, 2, 1, 1, 2, 2, & ! 2 \n & 2, 2, 2, 2, 2, 2, 1, 1, 1, 2, & ! 3 \n & 2, 2, 1, 2, 2, 2, 1, 2, 1, 1, & ! 4 \n & 2, 2, 2, 2, 1, 1, 2, 2, 2, 2, & ! 5 \n & 2, 2, 1, 1, 2, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 1, 2, 1, & ! 8 \n & 2, 1, 2, 2, 2, 2, 1, 1, 2, 2, & ! 9 \n & 2, 1, 2, 2, 2, 2, 2, 1, 2, 2, & ! O \n & 2, 1, 2, 1, 2, 2, 1, 2, 1, 2, & ! 1 \n & 2, 1, 2, 1, 2, 2, 2, 1, 1, 2, & ! 2 \n & 2, 2, 1, 1, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 1, 2, 2, 2, 2, 2, & ! 5 \n & 1, 2, 1, 2, 2, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 9 \n & 1, 1, 2, 2, 2, 1, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 1, 2, 2, 2, 2, 2, 2, & ! 1 \n & 1, 1, 1, 1, 1, 1, 2, 2, 2, 2, & ! 2 \n & 2, 2, 1, 1, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 1, 2, 1, 1, 1, 2, 2, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 2, 2, 2, 1, 1, 1, & ! 6 \n & 1, 1, 2, 2, 2, 1, 1, 1, 2, 1, & ! 7 \n & 1, 1, 2, 2, 2, 2, 2, 2, 1, 1, & ! 8 \n & 1, 1, 1, 1, 1, 1, 2, 2, 2, 2, & ! 9 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 1, 1, 2, 2, 2, 2, & ! 1 \n & 1, 2, 2, 2, 2, 2, 2, 2, 2, 1, & ! 2 \n & 2, 2, 2, 2, 1, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2/ ! 4 \n INTEGER :: NPRDCT( NRXNS )\n\n DATA ( NPRDCT( IRXXN ), IRXXN = 1, NRXNS ) / & \n & 2, 1, 1, 1, 1, 1, 0, 1, 1, 1, & ! O \n & 1, 1, 1, 1, 1, 1, 1, 0, 1, 1, & ! 1 \n & 1, 1, 2, 1, 2, 1, 2, 1, 1, 2, & ! 2 \n & 1, 2, 2, 1, 1, 1, 2, 2, 1, 1, & ! 3 \n & 1, 2, 2, 1, 1, 1, 2, 1, 2, 4, & ! 4 \n & 1, 3, 3, 1, 2, 5, 6, 1, 2, 4, & ! 5 \n & 4, 1, 2, 6, 7, 3, 3, 1, 1, 0, & ! 6 \n & 3, 2, 5, 4, 2, 1, 4, 2, 1, 1, & ! 7 \n & 3, 1, 2, 1, 4, 1, 4, 3, 4, 2, & ! 8 \n & 1, 1, 1, 2, 1, 2, 2, 1, 3, 3, & ! 9 \n & 1, 2, 3, 4, 2, 1, 2, 4, 2, 1, & ! O \n & 2, 5, 3, 8, 2, 4, 2, 5, 3, 4, & ! 1 \n & 2, 1, 1, 2, 4, 2, 6, 7, 4, 4, & ! 2 \n & 1, 1, 9, 2, 1, 5, 6, 4, 5, 6, & ! 3 \n & 10, 8, 14, 10, 6, 4, 12, 9, 3, 7, & ! 4 \n & 7, 5, 7, 5, 2, 10, 9, 12, 10, 10, & ! 5 \n & 11, 6, 2, 2, 2, 9, 9, 11, 9, 13, & ! 6 \n & 3, 8, 11, 8, 3, 8, 11, 7, 7, 5, & ! 7 \n & 5, 0, 4, 8, 7, 7, 0, 6, 8, 8, & ! 8 \n & 7, 0, 7, 6, 7, 9, 1, 1, 2, 3, & ! 9 \n & 4, 5, 4, 7, 8, 3, 4, 8, 2, 3, & ! O \n & 2, 5, 1, 2, 7, 4, 4, 4, 2, 2, & ! 1 \n & 2, 5, 2, 6, 1, 2, 1, 2, 2, 1, & ! 2 \n & 3, 2, 3, 3, 2, 5, 5, 4, 6, 8, & ! 3 \n & 5, 3, 2, 2, 3, 3, 1, 9, 9, 9, & ! 4 \n & 2, 1, 2, 2, 2, 4, 2, 4, 2, 3, & ! 5 \n & 2, 2, 2, 2, 4, 2, 4, 1, 2, 2, & ! 6 \n & 1, 1, 1, 1, 1, 2, 0, 1, 1, 1, & ! 7 \n & 1, 1, 2, 2, 2, 2, 2, 2, 0, 1, & ! 8 \n & 1, 1, 1, 1, 1, 1, 3, 1, 3, 1, & ! 9 \n & 2, 10, 7, 7, 7, 6, 6, 6, 6, 6, & ! O \n & 6, 1, 1, 1, 0, 0, 1, 1, 1, 1, & ! 1 \n & 0, 1, 2, 2, 2, 2, 1, 1, 1, 0, & ! 2 \n & 1, 1, 1, 1, 0, 1, 1, 1, 3, 2, & ! 3 \n & 2, 3, 3/ ! 4 \n\n INTEGER, PARAMETER :: MHETERO = 17\n INTEGER :: IHETERO( MHETERO,2 )\n\n DATA ( IHETERO( IRXXN,1 ), IRXXN = 1, MHETERO ) / & \n & 255, 268, 269, 270, 271, 272, 273, 274, 275, 276, & \n & 278, 279, 280, 281, 282, 298, 300/\n\n DATA ( IHETERO( IRXXN,2 ), IRXXN = 1, MHETERO ) / & \n & 1, 2, 3, 4, 5, 6, 7, 7, 8, 9, & \n & 10, 11, 12, 13, 14, 15, 16/\n\n INTEGER, PARAMETER :: NPHOTAB = 32\n CHARACTER( 16 ) :: PHOTAB( NPHOTAB )\n\n DATA ( PHOTAB( IRXXN ), IRXXN = 1, NPHOTAB ) / & \n & 'NO2_IUPAC10 ', 'O3_O3P_IUPAC10 ', 'O3_O1D_IUPAC10 ', & \n & 'H2O2_IUPAC10 ', 'NO3NO2_06 ', 'NO3NO_06 ', & \n & 'N2O5_IUPAC10 ', 'HONO_IUPAC10 ', 'HNO3_IUPAC10 ', & \n & 'PNA_IUPAC10 ', 'PAN_IUPAC10 ', 'MEPX_IUPAC10 ', & \n & 'NTR_IUPAC10 ', 'FORM_R_IUPAC10 ', 'FORM_M_IUPAC10 ', & \n & 'ALD2_R_IUPAC10 ', 'ALDX_R_IUPAC10 ', 'GLYD_IUPAC10 ', & \n & 'GLY_R_IUPAC10 ', 'MGLY_IUPAC10 ', 'KET_IUPAC10 ', & \n & 'ACET_IUPAC10 ', 'ISPD ', 'HPALD ', & \n & 'CL2_IUPAC04 ', 'HOCL_IUPAC04 ', 'FMCL_IUPAC04 ', & \n & 'CLNO2_IUPAC13 ', 'CLONO2_1 ', 'CLONO2_2 ', & \n & 'IC3ONO2 ', 'ACRO_09 '/\n\n INTEGER, PARAMETER :: NHETERO = 16\n CHARACTER( 16 ) :: HETERO( NHETERO )\n\n DATA ( HETERO( IRXXN ), IRXXN = 1, NHETERO ) / & \n & 'HETERO_CLNO3_WAJ', 'HETERO_NTR2 ', 'HETERO_N2O5IJ ', &\n & 'HETERO_N2O5K ', 'HETERO_H2NO3PAIJ', 'HETERO_H2NO3PAK ', &\n & 'HETERO_H2NO3PBIJ', 'HETERO_H2NO3PBK ', 'HETERO_NO2 ', &\n & 'HETERO_IEPOX ', 'HETERO_IEPOXOS ', 'HETERO_TETROL ', &\n & 'HETERO_GLY ', 'HETERO_MGLY ', 'HETERO_PNCOMLI ', &\n & 'HETERO_PNCOMLJ '/\n\n CHARACTER( 16 ) :: RXLABEL( NRXNS )\n\n DATA ( RXLABEL( IRXXN ), IRXXN = 1, NRXNS ) / & \n & 'R1 ', 'R2 ', 'R3 ', & ! 0 \n & 'R4 ', 'R5 ', 'R6 ', & ! 1 \n & 'R7 ', 'R8 ', 'R9 ', & ! 2 \n & 'R10 ', 'R11 ', 'R12 ', & ! 3 \n & 'R13 ', 'R14 ', 'R15 ', & ! 4 \n & 'R16 ', 'R17 ', 'R18 ', & ! 5 \n & 'R19 ', 'R20 ', 'R21 ', & ! 6 \n & 'R22 ', 'R23 ', 'R24 ', & ! 7 \n & 'R25 ', 'R26 ', 'R27 ', & ! 8 \n & 'R28 ', 'R29 ', 'R30 ', & ! 9 \n & 'R31 ', 'R32 ', 'R33 ', & ! 0 \n & 'R34 ', 'R35 ', 'R36 ', & ! 1 \n & 'R37 ', 'R38 ', 'R39 ', & ! 2 \n & 'R40 ', 'R41 ', 'R42 ', & ! 3 \n & 'R43 ', 'R44 ', 'R45 ', & ! 4 \n & 'R46 ', 'R47 ', 'R48 ', & ! 5 \n & 'R49 ', 'R50 ', 'R51 ', & ! 6 \n & 'R52 ', 'R53 ', 'R54 ', & ! 7 \n & 'R55 ', 'R56 ', 'R57 ', & ! 8 \n & 'R58 ', 'R59 ', 'R60 ', & ! 9 \n & 'R61 ', 'R62 ', 'R63 ', & ! 0 \n & 'R64 ', 'R65 ', 'R66 ', & ! 1 \n & 'R67 ', 'R68 ', 'R69 ', & ! 2 \n & 'R70 ', 'R71 ', 'R72 ', & ! 3 \n & 'R73 ', 'R74 ', 'R75 ', & ! 4 \n & 'R76 ', 'R77 ', 'R78 ', & ! 5 \n & 'R79 ', 'R80 ', 'R81 ', & ! 6 \n & 'R82 ', 'R83 ', 'R84 ', & ! 7 \n & 'R85 ', 'R86 ', 'R87 ', & ! 8 \n & 'R88 ', 'R89 ', 'R90 ', & ! 9 \n & 'R91 ', 'R92 ', 'R93 ', & ! 0 \n & 'R94 ', 'R95 ', 'R96 ', & ! 1 \n & 'R97 ', 'R98 ', 'R99 ', & ! 2 \n & 'R100 ', 'R101 ', 'R102 ', & ! 3 \n & 'R103 ', 'R104 ', 'R105 ', & ! 4 \n & 'R106 ', 'R107 ', 'R108 ', & ! 5 \n & 'R109 ', 'R110 ', 'R111 ', & ! 6 \n & 'R112 ', 'R113 ', 'R114 ', & ! 7 \n & 'R115 ', 'R116 ', 'R117 ', & ! 8 \n & 'R118 ', 'R119 ', 'R120 ', & ! 9 \n & 'R121 ', 'R122 ', 'R123 ', & ! 0 \n & 'R124 ', 'R125 ', 'R126 ', & ! 1 \n & 'R127 ', 'R128 ', 'R129 ', & ! 2 \n & 'R130 ', 'R131 ', 'R132 ', & ! 3 \n & 'R133 ', 'R134 ', 'R135 ', & ! 4 \n & 'R136 ', 'R137 ', 'R138 ', & ! 5 \n & 'R139 ', 'R140 ', 'R141 ', & ! 6 \n & 'R142 ', 'R143 ', 'R144 ', & ! 7 \n & 'R145 ', 'R146 ', 'R147 ', & ! 8 \n & 'R148 ', 'R149 ', 'R150 ', & ! 9 \n & 'R151 ', 'R152 ', 'R153 ', & ! 0 \n & 'R154 ', 'R155 ', 'R156 ', & ! 1 \n & 'R157 ', 'R158 ', 'R159 ', & ! 2 \n & 'R160 ', 'R161 ', 'R162 ', & ! 3 \n & 'R163 ', 'R164 ', 'R165 ', & ! 4 \n & 'R166 ', 'R167 ', 'R168 ', & ! 5 \n & 'R169 ', 'R170 ', 'R171 ', & ! 6 \n & 'R172 ', 'R173 ', 'R174 ', & ! 7 \n & 'R171a ', 'R172a ', 'R173a ', & ! 8 \n & 'R174a ', 'R175 ', 'R176 ', & ! 9 \n & 'R177 ', 'R178 ', 'R179 ', & ! 0 \n & 'R180 ', 'R181 ', 'R182 ', & ! 1 \n & 'R183 ', 'R184 ', 'R185 ', & ! 2 \n & 'R185a ', 'R186 ', 'R187 ', & ! 3 \n & 'R188 ', 'R189 ', 'R190 ', & ! 4 \n & 'R191 ', 'R192 ', 'R193 ', & ! 5 \n & 'R194 ', 'R195 ', 'R196 ', & ! 6 \n & 'R197 ', 'R198 ', 'R199 ', & ! 7 \n & 'R200 ', 'R201 ', 'R202 ', & ! 8 \n & 'R203 ', 'R204 ', 'R205 ', & ! 9 \n & 'R206 ', 'R207 ', 'R208 ', & ! 0 \n & 'R209 ', 'R210 ', 'R211 ', & ! 1 \n & 'R212 ', 'R213 ', 'R214 ', & ! 2 \n & 'R216 ', 'R217 ', 'R218 ', & ! 3 \n & 'R219 ', 'R220 ', 'CL1 ', & ! 4 \n & 'CL2 ', 'CL3 ', 'CL4 ', & ! 5 \n & 'CL5 ', 'CL6 ', 'CL7 ', & ! 6 \n & 'CL8 ', 'CL9 ', 'CL10 ', & ! 7 \n & 'CL11 ', 'CL12 ', 'CL13 ', & ! 8 \n & 'CL14 ', 'CL15 ', 'CL16 ', & ! 9 \n & 'CL17 ', 'CL18 ', 'CL19 ', & ! 0 \n & 'CL20 ', 'CL21 ', 'CL22 ', & ! 1 \n & 'CL23 ', 'CL24 ', 'CL25 ', & ! 2 \n & 'CL26 ', 'CL27 ', 'CL28 ', & ! 3 \n & 'CL30 ', 'CL31 ', 'HET_CLNO3_WAJ ', & ! 4 \n & 'SA01 ', 'SA02 ', 'SA03 ', & ! 5 \n & 'SA04 ', 'SA06 ', 'SA07 ', & ! 6 \n & 'SA08 ', 'SA09 ', 'SA10 ', & ! 7 \n & 'SA11 ', 'SA12 ', 'SA13 ', & ! 8 \n & 'HET_NTR2 ', 'HET_N2O5IJ ', 'HET_N2O5K ', & ! 9 \n & 'HET_H2NO3PIJA ', 'HET_H2NO3PKA ', 'HET_H2NO3PIB ', & ! 0 \n & 'HET_H2NO3PJB ', 'HET_H2NO3PKB ', 'HET_N02 ', & ! 1 \n & 'HAL_Ozone ', 'HET_IEPOX ', 'HET_IEPOXOS ', & ! 2 \n & 'HET_TETROL ', 'HET_GLY ', 'HET_MGLY ', & ! 3 \n & 'BL18a ', 'BL18b ', 'BL18c ', & ! 4 \n & 'BL18d ', 'CP07mtp ', 'BP70mtp ', & ! 5 \n & 'BP71mtp ', 'HYD_MT ', 'OLIG_AROMATIC1 ', & ! 6 \n & 'OLIG_AROMATIC2 ', 'OLIG_AROMATIC3 ', 'OLIG_ISOPRENE1 ', & ! 7 \n & 'OLIG_ISOPRENE2 ', 'OLIG_SESQT1 ', 'RPOAGEPI ', & ! 8 \n & 'RPOAGELI ', 'RPOAGEPJ ', 'RPOAGELJ ', & ! 9 \n & 'PCSOA ', 'POA_AGE1 ', 'POA_AGE2 ', & ! 0 \n & 'POA_AGE3 ', 'POA_AGE4 ', 'POA_AGE5 ', & ! 1 \n & 'POA_AGE6 ', 'POA_AGE7 ', 'POA_AGE8 ', & ! 2 \n & 'POA_AGE9 ', 'POA_AGE10 ', 'T01 ', & ! 3 \n & 'T02 ', 'T03 ', 'T04 ', & ! 4 \n & 'T05 ', 'TCL1 ', 'T06 ', & ! 5 \n & 'T07 ', 'T08 ', 'T09 ', & ! 6 \n & 'TCL2 ', 'T10 ', 'T11 ', & ! 7 \n & 'T12 ', 'TCL3 ', 'T13 ', & ! 8 \n & 'T14 ', 'T15 ', 'T16 ', & ! 9 \n & 'TCL4 ', 'T17 ', 'T18 ', & ! 0 \n & 'T19 ', 'T20 ', 'TCL5 ', & ! 1 \n & 'T21 ', 'TCL6 ', 'HG1 ', & ! 2 \n & 'HG2 ', 'HG3 ', 'HG4 ', & ! 3 \n & 'HG5 '/ ! 4 \n\n! NSPECIAL = Number of special rate coefficients\n! SPECIAL = Names of special rate coefficients\n! NSPECIAL_RXN = Number of reactions with special rates\n! ISPECIAL = Pointers to reactions using special rates and their special rate coefficients\n! MAXSPECTERMS = Max Number of terms type used by special rate coefficients\n! KC_COEFFS = Coefficients of standard rate coefficients times concentration terms \n! INDEX_KTERMS = Pointers to standard rate coefficients in special rate coefficients\n! INDEX_CTERMS = Pointers to species concentrations in special rate coefficients\n! OPERATOR_COEFFS = Coefficients of preceeding special rate coefficients used in special coefficient \n! OPERATORS = Pointers to preceeding special rate coefficients used in special coefficient \n\n! Special Rate information not available ..\n INTEGER, PARAMETER :: NSPECIAL_RXN = 0\n INTEGER :: ISPECIAL( 1, 2 )\n\n! Special Rate information not available ...\n INTEGER, PARAMETER :: NSPECIAL = 0\n\n! Special Rate information not available ...\n CHARACTER( 16 ) :: SPECIAL( 1 )\n\n INTEGER, PARAMETER :: MAXSPECTERMS = 1\n REAL( 8 ) :: KC_COEFFS( NSPECIAL + 1, MAXSPECTERMS)\n INTEGER :: INDEX_KTERMS( NSPECIAL + 1, MAXSPECTERMS)\n INTEGER :: INDEX_CTERMS( NSPECIAL + 1, MAXSPECTERMS)\n REAL( 8 ) :: OPERATOR_COEFFS( NSPECIAL + 1, MAXSPECTERMS)\n INTEGER :: OPERATORS( NSPECIAL + 1, MAXSPECTERMS)\n\n\n! Steady-state species section\n! N_SS_SPC = Number of species assumed to be in steady-state\n! SS_SPC_DIM = Dimension paramete for steady-state species\n! SS_SPC = Names of species assumed to be in steady-state\n! MAX_SS_LOSS = Max no. of SS loss rxns for any SS species\n! MAX_SS_PROD = Max no. of SS prod rxns for any SS species\n! N_LOSS_RXNS = No. of SS loss rxns for each SS species\n! N_PROD_RXNS = No. of SS prod rxns for each SS species\n! SS_LOSS_RXNS = List of SS loss rxns for each SS species\n! SS_PROD_RXNS = List of SS prod rxns for each SS species\n! SS_PROD_COEF = List of SS prod yields for each SS species\n! SS_RCT_IND = SS species index if it is a rxn reactant\n\n INTEGER, PARAMETER :: N_SS_SPC = 0\n\n INTEGER, PARAMETER :: SS_SPC_DIM = 1\n\n INTEGER, PARAMETER :: MAX_SS_LOSS = 0\n\n INTEGER, PARAMETER :: MAX_SS_PROD = 0\n\n CHARACTER( 16 ) :: SS_SPC( 1 )\n\n INTEGER :: N_LOSS_RXNS( 1 )\n INTEGER :: N_PROD_RXNS( 1 )\n INTEGER :: SS_LOSS_RXNS( 1, 1 )\n INTEGER :: SS_PROD_RXNS( 1, 1 )\n INTEGER :: SS_RCT_IND( 1 )\n\n REAL :: SS_PROD_COEF( 1,1 ) \n LOGICAL, PARAMETER :: USE_SPECIAL_RATES = .FALSE.\n! pointers and names to specific photolysis rates\n INTEGER, PARAMETER :: IJ_NO2_IUPAC10 = 1\n INTEGER, PARAMETER :: IJ_O3_O3P_IUPAC10 = 2\n INTEGER, PARAMETER :: IJ_O3_O1D_IUPAC10 = 3\n INTEGER, PARAMETER :: IJ_H2O2_IUPAC10 = 4\n INTEGER, PARAMETER :: IJ_NO3NO2_06 = 5\n INTEGER, PARAMETER :: IJ_NO3NO_06 = 6\n INTEGER, PARAMETER :: IJ_N2O5_IUPAC10 = 7\n INTEGER, PARAMETER :: IJ_HONO_IUPAC10 = 8\n INTEGER, PARAMETER :: IJ_HNO3_IUPAC10 = 9\n INTEGER, PARAMETER :: IJ_PNA_IUPAC10 = 10\n INTEGER, PARAMETER :: IJ_PAN_IUPAC10 = 11\n INTEGER, PARAMETER :: IJ_MEPX_IUPAC10 = 12\n INTEGER, PARAMETER :: IJ_NTR_IUPAC10 = 13\n INTEGER, PARAMETER :: IJ_FORM_R_IUPAC10 = 14\n INTEGER, PARAMETER :: IJ_FORM_M_IUPAC10 = 15\n INTEGER, PARAMETER :: IJ_ALD2_R_IUPAC10 = 16\n INTEGER, PARAMETER :: IJ_ALDX_R_IUPAC10 = 17\n INTEGER, PARAMETER :: IJ_GLYD_IUPAC10 = 18\n INTEGER, PARAMETER :: IJ_GLY_R_IUPAC10 = 19\n INTEGER, PARAMETER :: IJ_MGLY_IUPAC10 = 20\n INTEGER, PARAMETER :: IJ_KET_IUPAC10 = 21\n INTEGER, PARAMETER :: IJ_ACET_IUPAC10 = 22\n INTEGER, PARAMETER :: IJ_ISPD = 23\n INTEGER, PARAMETER :: IJ_HPALD = 24\n INTEGER, PARAMETER :: IJ_CL2_IUPAC04 = 25\n INTEGER, PARAMETER :: IJ_HOCL_IUPAC04 = 26\n INTEGER, PARAMETER :: IJ_FMCL_IUPAC04 = 27\n INTEGER, PARAMETER :: IJ_CLNO2_IUPAC13 = 28\n INTEGER, PARAMETER :: IJ_CLONO2_1 = 29\n INTEGER, PARAMETER :: IJ_CLONO2_2 = 30\n INTEGER, PARAMETER :: IJ_IC3ONO2 = 31\n INTEGER, PARAMETER :: IJ_ACRO_09 = 32\n INTEGER, PARAMETER :: IK_HETERO_CLNO3_WAJ = 1\n INTEGER, PARAMETER :: IK_HETERO_NTR2 = 2\n INTEGER, PARAMETER :: IK_HETERO_N2O5IJ = 3\n INTEGER, PARAMETER :: IK_HETERO_N2O5K = 4\n INTEGER, PARAMETER :: IK_HETERO_H2NO3PAIJ = 5\n INTEGER, PARAMETER :: IK_HETERO_H2NO3PAK = 6\n INTEGER, PARAMETER :: IK_HETERO_H2NO3PBIJ = 7\n INTEGER, PARAMETER :: IK_HETERO_H2NO3PBK = 8\n INTEGER, PARAMETER :: IK_HETERO_NO2 = 9\n INTEGER, PARAMETER :: IK_HETERO_IEPOX = 10\n INTEGER, PARAMETER :: IK_HETERO_IEPOXOS = 11\n INTEGER, PARAMETER :: IK_HETERO_TETROL = 12\n INTEGER, PARAMETER :: IK_HETERO_GLY = 13\n INTEGER, PARAMETER :: IK_HETERO_MGLY = 14\n INTEGER, PARAMETER :: IK_HETERO_PNCOMLI = 15\n INTEGER, PARAMETER :: IK_HETERO_PNCOMLJ = 16\n END MODULE RXNS_DATA\n" }, { "path": "CCTM/src/MECHS/cb6r3_ae7_aq/RXNS_FUNC_MODULE.F90", "content": " MODULE RXNS_FUNCTION\n\n\n IMPLICIT NONE\n\n\n\n! Name of Mechanism CB6R3_AE7_AQ\n\n PUBLIC :: CALC_RCONST, SPECIAL_RATES, MAP_CHEMISTRY_SPECIES\n\n CONTAINS\n\n\n REAL( 8 ) FUNCTION POWER_T02( TEMPOT300,A0,B0 )\n IMPLICIT NONE\n! rate constant for CMAQ Arrhenuis reaction type 2\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: TEMPOT300\n REAL( 8 ), INTENT( IN ) :: A0\n REAL( 8 ), INTENT( IN ) :: B0\n ! Local: None\n POWER_T02 = A0 * TEMPOT300**B0\n RETURN\n END FUNCTION POWER_T02\n REAL( 8 ) FUNCTION ARRHENUIS_T04( INV_TEMP,TEMPOT300,A0,B0,C0 )\n IMPLICIT NONE\n! rate constant for CMAQ Arrhenuis reaction type 4\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: INV_TEMP\n REAL( 8 ), INTENT( IN ) :: TEMPOT300\n REAL( 8 ), INTENT( IN ) :: A0\n REAL( 8 ), INTENT( IN ) :: B0\n REAL( 8 ), INTENT( IN ) :: C0\n ! Local:\n INTRINSIC DEXP\n ARRHENUIS_T04 = A0 * DEXP( B0 * INV_TEMP ) * TEMPOT300**C0\n RETURN\n END FUNCTION ARRHENUIS_T04\n REAL( 8 ) FUNCTION ARRHENUIS_T03( INV_TEMP,A0,B0 )\n! rate constant for CMAQ Arrhenuis reaction type 3\n IMPLICIT NONE\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: INV_TEMP\n REAL( 8 ), INTENT(IN) :: A0\n REAL( 8 ), INTENT(IN) :: B0\n ! Local:\n INTRINSIC DEXP\n ARRHENUIS_T03 = A0 * DEXP( B0 * INV_TEMP )\n RETURN\n END FUNCTION ARRHENUIS_T03 \n REAL( 8 ) FUNCTION FALLOFF_T08(INV_TEMP,CAIR,A0,C0,A2,C2,A3,C3)\n! rate constant for CMAQ fall off reaction type 8\n IMPLICIT NONE\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: INV_TEMP\n REAL( 8 ), INTENT( IN ) :: CAIR\n REAL( 8 ), INTENT( IN ) :: A0\n REAL( 8 ), INTENT( IN ) :: C0\n REAL( 8 ), INTENT( IN ) :: A2\n REAL( 8 ), INTENT( IN ) :: C2\n REAL( 8 ), INTENT( IN ) :: A3\n REAL( 8 ), INTENT( IN ) :: C3\n ! Local:\n REAL( 8 ) K0\n REAL( 8 ) K2\n REAL( 8 ) K3\n INTRINSIC DEXP\n K0 = A0 * DEXP( C0 * INV_TEMP )\n K2 = A2 * DEXP( C2 * INV_TEMP )\n K3 = A3 * DEXP( C3 * INV_TEMP )\n K3 = K3 * CAIR\n FALLOFF_T08 = K0 + K3/( 1.0D0 + K3/K2 )\n RETURN\n END FUNCTION FALLOFF_T08\n REAL( 8 ) FUNCTION FALLOFF_T09(INV_TEMP,CAIR,A1,C1,A2,C2)\n! rate constant for CMAQ fall off reaction type 9\n IMPLICIT NONE\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: INV_TEMP\n REAL( 8 ), INTENT( IN ) :: CAIR\n REAL( 8 ), INTENT( IN ) :: A1\n REAL( 8 ), INTENT( IN ) :: C1\n REAL( 8 ), INTENT( IN ) :: A2\n REAL( 8 ), INTENT( IN ) :: C2\n ! Local:\n REAL( 8 ) K1\n REAL( 8 ) K2\n INTRINSIC DEXP\n K1 = A1 * DEXP( C1 * INV_TEMP )\n K2 = A2 * DEXP( C2 * INV_TEMP )\n FALLOFF_T09 = K1 + K2 * CAIR\n RETURN\n END FUNCTION FALLOFF_T09\n REAL( 8 ) FUNCTION FALLOFF_T10(INV_TEMP,TEMPOT300,CAIR,A0,B0,C0,A1,B1,C1,CE,CF)\n IMPLICIT NONE\n! rate constant for CMAQ fall off reaction type 10\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: INV_TEMP\n REAL( 8 ), INTENT( IN ) :: TEMPOT300\n REAL( 8 ), INTENT( IN ) :: CAIR\n REAL( 8 ), INTENT( IN ) :: A0\n REAL( 8 ), INTENT( IN ) :: B0\n REAL( 8 ), INTENT( IN ) :: C0\n REAL( 8 ), INTENT( IN ) :: A1\n REAL( 8 ), INTENT( IN ) :: B1\n REAL( 8 ), INTENT( IN ) :: C1\n REAL( 8 ), INTENT( IN ) :: CE\n REAL( 8 ), INTENT( IN ) :: CF\n ! Local:\n REAL( 8 ) K0\n REAL( 8 ) K1\n REAL( 8 ) KEND\n K0 = A0 * CAIR * DEXP(B0*INV_TEMP)* TEMPOT300**C0\n K1 = A1 * DEXP(B1*INV_TEMP) * TEMPOT300**C1\n KEND = ( ( 1.0D0 + ( ( 1.0D0 / CE ) * DLOG10( K0 / K1 ) ) ** 2.0D0 ) )\n KEND = 1.0D0 / KEND\n FALLOFF_T10 = ( K0 / ( 1.0D0 + K0/K1 ) ) * CF ** KEND\n RETURN\n END FUNCTION FALLOFF_T10\n REAL( 8 ) FUNCTION FALLOFF_T11(INV_TEMP,TEMPOT300,CAIR,A1,B1,C1,A2, B2, C2, D1, D2)\n! rate constant for CMAQ fall off reaction type 11\n! actually expanded form of type 9\n IMPLICIT NONE\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: INV_TEMP\n REAL( 8 ), INTENT( IN ) :: TEMPOT300\n REAL( 8 ), INTENT( IN ) :: CAIR\n REAL( 8 ), INTENT( IN ) :: A1\n REAL( 8 ), INTENT( IN ) :: B1\n REAL( 8 ), INTENT( IN ) :: C1\n REAL( 8 ), INTENT( IN ) :: A2\n REAL( 8 ), INTENT( IN ) :: B2\n REAL( 8 ), INTENT( IN ) :: C2\n REAL( 8 ), INTENT( IN ) :: D1\n REAL( 8 ), INTENT( IN ) :: D2\n ! Local:\n REAL( 8 ) K1\n REAL( 8 ) K2\n REAL( 8 ) K3\n INTRINSIC DEXP\n K1 = A1 * DEXP( C1 * INV_TEMP ) * TEMPOT300**B1\n K2 = A2 * DEXP( C2 * INV_TEMP ) * TEMPOT300**B2\n K3 = D1 * DEXP( D2 * INV_TEMP )\n FALLOFF_T11 = K1 + K2 * CAIR + K3\n RETURN\n END FUNCTION FALLOFF_T11\n REAL( 8 ) FUNCTION HALOGEN_FALLOFF(PRESS,A1,B1,A2,B2,A3)\n IMPLICIT NONE\n REAL( 8 ), INTENT( IN ) :: PRESS\n REAL( 8 ), INTENT( IN ) :: A1\n REAL( 8 ), INTENT( IN ) :: B1\n REAL( 8 ), INTENT( IN ) :: A2\n REAL( 8 ), INTENT( IN ) :: B2\n REAL( 8 ), INTENT( IN ) :: A3 ! Maximum loss rate (1/sec)\n INTRINSIC DEXP\n HALOGEN_FALLOFF = A1 * DEXP( B1 * PRESS ) + A2 * DEXP( B2 * PRESS )\n HALOGEN_FALLOFF = DMIN1 (A3, HALOGEN_FALLOFF )\n RETURN\n END FUNCTION HALOGEN_FALLOFF\n\n SUBROUTINE SPECIAL_RATES( NUMCELLS, Y, TEMP, DENS, RKI )\n! Purpose: calculate special rate operators and update\n! appropriate rate constants\n\n USE RXNS_DATA\n IMPLICIT NONE\n\n! Arguments:\n INTEGER, INTENT( IN ) :: NUMCELLS ! Number of cells in block \n REAL( 8 ), INTENT( IN ) :: Y( :, : ) ! species concs\n REAL( 8 ), INTENT( IN ) :: TEMP( : ) ! air temperature, K \n REAL( 8 ), INTENT( IN ) :: DENS( : ) ! air density, Kg/m3\n REAL( 8 ), INTENT( INOUT ) :: RKI( :, : ) ! reaction rate constant, ppm/min \n! Local:\n REAL( 8 ), PARAMETER :: DENSITY_TO_NUMBER = 2.07930D+19 ! Kg/m3 to molecules/cm3\n\n INTEGER :: NCELL\n REAL( 8 ) :: INV_TEMP\n REAL( 8 ) :: CAIR\n REAL( 8 ) :: CFACT ! scales operator if not multiplied by RKI, cm^3/(molecule) to 1/(ppm)\n REAL( 8 ) :: CFACT_SQU ! scales operator if not multiplied by RKI, cm^6/(molec^2) to 1/(ppm^2)\n! special rate operators listed below\n\n\n\n DO NCELL = 1, NUMCELLS\n INV_TEMP = 1.0D0 / TEMP( NCELL )\n CAIR = DENSITY_TO_NUMBER * DENS( NCELL )\n CFACT = 1.0D-06 * CAIR\n CFACT_SQU = 1.0D-12 * CAIR * CAIR\n\n\n! define special rate operators\n\n\n! define rate constants in terms of special rate operators \n\n END DO\n\n RETURN\n END SUBROUTINE SPECIAL_RATES\n \n SUBROUTINE CALC_RCONST( BLKTEMP, BLKPRES, BLKH2O, RJBLK, BLKHET, LSUNLIGHT, SEAWATER, RKI, NUMCELLS )\n\n!**********************************************************************\n\n! Function: To compute thermal and photolytic reaction rate\n! coefficients for each reaction.\n\n! Preconditions: Photolysis rates for individual species must have\n! been calculated and stored in RJPHOT. Expects\n! temperature in deg K, pressure in atm., water\n! vapor in ppmV, and J-values in /min.\n! Key Subroutines/Functions Called: POWER_02, ARRHRENUIS_T0*, FALLOFF_T*, HALOGEN_FALLOFF \n!***********************************************************************\n\n\n\n\n USE RXNS_DATA\n\n IMPLICIT NONE \n\n! Arguements: None \n\n REAL( 8 ), INTENT( IN ) :: BLKTEMP( : ) ! temperature, deg K \n REAL( 8 ), INTENT( IN ) :: BLKPRES( : ) ! pressure, Atm\n REAL( 8 ), INTENT( IN ) :: BLKH2O ( : ) ! water mixing ratio, ppm \n REAL( 8 ), INTENT( IN ) :: RJBLK ( :, : ) ! photolysis rates, 1/min \n REAL( 8 ), INTENT( IN ) :: BLKHET ( :, : ) ! heterogeneous rate constants, ???/min\n INTEGER, INTENT( IN ) :: NUMCELLS ! Number of cells in block \n LOGICAL, INTENT( IN ) :: LSUNLIGHT ! Is there sunlight? \n REAL( 8 ), INTENT( IN ) :: SEAWATER( : ) ! fractional area of OPEN+SURF \n REAL( 8 ), INTENT( OUT ) :: RKI ( :, : ) ! reaction rate constant, ppm/min \n!..Parameters: \n\n REAL( 8 ), PARAMETER :: COEF1 = 7.33981D+15 ! Molec/cc to ppm conv factor \n REAL( 8 ), PARAMETER :: CONSTC = 0.6D+0 ! Constant for reaction type 7\n REAL( 8 ), PARAMETER :: TI300 = 1.0D+0/300.0D+0 ! reciprocal of 300 deg K\n REAL( 8 ), PARAMETER :: SFACT = 60.D+0 ! seconds per minute \n!..External Functions: None\n\n!..Local Variables:\n\n INTEGER :: NRT ! Loop index for reaction types \n INTEGER :: IRXN ! Reaction number\n INTEGER :: JNUM ! J-value species # from PHOT)\n INTEGER :: KNUM ! Reaction # for a relative rate coeff.\n INTEGER :: N ! Loop index for reactions\n INTEGER :: NCELL ! Loop index for # of cells in the block\n REAL( 8 ) :: CAIR ! air number density (wet) [molec/cm^3]\n REAL( 8 ) :: CFACT ! Convertor cm^3/(molec*sec) to 1/(ppm*min)\n REAL( 8 ) :: CFACT_SQU ! Convertor cm^6/(molec^2*sec) to 1/(ppm^2*min)\n REAL( 8 ) :: INV_CFACT ! ppm/min to molec/(cm^3*sec)\n REAL( 8 ) :: TEMPOT300 ! temperature divided by 300 K, dimensionaless \n REAL( 8 ) :: INV_TEMP ! reciprocal of air temperature, K-1\n REAL( 8 ) :: INV_CAIR ! reciprocal of air number density (wet), [cm^3/molec]\n REAL( 8 ) :: TEMP ! air temperature, K\n REAL( 8 ) :: PRESS ! pressure [Atm] \n REAL( 8 ) :: INV_RFACT ! ppm/min to molec/(cm^3*min)\n REAL( 8 ) :: RFACT_SQU ! cm^6/(molec^2*min) to 1/(ppm^2*min)\n REAL( 8 ) :: RFACT ! cm^3/(molec*min) to 1/(ppm*min)\n REAL( 8 ) :: H2O ! concentration, [molec/cm^3] \n\n RKI = 0.0D0 \n\n! All rate constants converted from molec/cm3 to ppm\n! and 1/sec to 1/min\n\n IF( LSUNLIGHT )THEN \n DO NCELL = 1, NUMCELLS \n\n! Reaction Label R1 \n RKI( NCELL, 1) = RJBLK( NCELL, IJ_NO2_IUPAC10 )\n! Reaction Label R8 \n RKI( NCELL, 8) = RJBLK( NCELL, IJ_O3_O3P_IUPAC10 )\n! Reaction Label R9 \n RKI( NCELL, 9) = RJBLK( NCELL, IJ_O3_O1D_IUPAC10 )\n! Reaction Label R21 \n RKI( NCELL, 21) = RJBLK( NCELL, IJ_H2O2_IUPAC10 )\n! Reaction Label R27 \n RKI( NCELL, 27) = RJBLK( NCELL, IJ_NO3NO2_06 )\n! Reaction Label R28 \n RKI( NCELL, 28) = RJBLK( NCELL, IJ_NO3NO_06 )\n! Reaction Label R38 \n RKI( NCELL, 38) = RJBLK( NCELL, IJ_N2O5_IUPAC10 )\n! Reaction Label R43 \n RKI( NCELL, 43) = RJBLK( NCELL, IJ_HONO_IUPAC10 )\n! Reaction Label R47 \n RKI( NCELL, 47) = RJBLK( NCELL, IJ_HNO3_IUPAC10 )\n! Reaction Label R50 \n RKI( NCELL, 50) = RJBLK( NCELL, IJ_PNA_IUPAC10 )\n! Reaction Label R56 \n RKI( NCELL, 56) = RJBLK( NCELL, IJ_PAN_IUPAC10 )\n! Reaction Label R64 \n RKI( NCELL, 64) = RJBLK( NCELL, IJ_PAN_IUPAC10 )\n! Reaction Label R88 \n RKI( NCELL, 88) = RJBLK( NCELL, IJ_MEPX_IUPAC10 )\n! Reaction Label R90 \n RKI( NCELL, 90) = RJBLK( NCELL, IJ_MEPX_IUPAC10 )\n! Reaction Label R92 \n RKI( NCELL, 92) = RJBLK( NCELL, IJ_NTR_IUPAC10 )\n! Reaction Label R97 \n RKI( NCELL, 97) = RJBLK( NCELL, IJ_FORM_R_IUPAC10 )\n! Reaction Label R98 \n RKI( NCELL, 98) = RJBLK( NCELL, IJ_FORM_M_IUPAC10 )\n! Reaction Label R108 \n RKI( NCELL, 108) = RJBLK( NCELL, IJ_ALD2_R_IUPAC10 )\n! Reaction Label R112 \n RKI( NCELL, 112) = RJBLK( NCELL, IJ_ALDX_R_IUPAC10 )\n! Reaction Label R114 \n RKI( NCELL, 114) = RJBLK( NCELL, IJ_GLYD_IUPAC10 )\n! Reaction Label R117 \n RKI( NCELL, 117) = RJBLK( NCELL, IJ_GLY_R_IUPAC10 )\n! Reaction Label R119 \n RKI( NCELL, 119) = RJBLK( NCELL, IJ_MGLY_IUPAC10 )\n! Reaction Label R128 \n RKI( NCELL, 128) = RJBLK( NCELL, IJ_KET_IUPAC10 )\n! Reaction Label R129 \n RKI( NCELL, 129) = RJBLK( NCELL, IJ_ACET_IUPAC10 )\n! Reaction Label R161 \n RKI( NCELL, 161) = RJBLK( NCELL, IJ_ISPD )\n! Reaction Label R163 \n RKI( NCELL, 163) = RJBLK( NCELL, IJ_HPALD )\n! Reaction Label R196 \n RKI( NCELL, 201) = RJBLK( NCELL, IJ_NTR_IUPAC10 )\n! Reaction Label R197 \n RKI( NCELL, 202) = 5.0000D-02 * RJBLK( NCELL, IJ_NO2_IUPAC10 )\n! Reaction Label R201 \n RKI( NCELL, 206) = 2.8000D-02 * RJBLK( NCELL, IJ_NO2_IUPAC10 )\n! Reaction Label CL1 \n RKI( NCELL, 225) = RJBLK( NCELL, IJ_CL2_IUPAC04 )\n! Reaction Label CL2 \n RKI( NCELL, 226) = RJBLK( NCELL, IJ_HOCL_IUPAC04 )\n! Reaction Label CL9 \n RKI( NCELL, 233) = RJBLK( NCELL, IJ_FMCL_IUPAC04 )\n! Reaction Label CL27 \n RKI( NCELL, 251) = RJBLK( NCELL, IJ_CLNO2_IUPAC13 )\n! Reaction Label CL30 \n RKI( NCELL, 253) = RJBLK( NCELL, IJ_CLONO2_1 )\n! Reaction Label CL31 \n RKI( NCELL, 254) = RJBLK( NCELL, IJ_CLONO2_2 )\n! Reaction Label BP71mtp \n RKI( NCELL, 289) = RJBLK( NCELL, IJ_IC3ONO2 )\n! Reaction Label T04 \n RKI( NCELL, 315) = RJBLK( NCELL, IJ_FORM_R_IUPAC10 )\n! Reaction Label T05 \n RKI( NCELL, 316) = RJBLK( NCELL, IJ_FORM_M_IUPAC10 )\n! Reaction Label T09 \n RKI( NCELL, 321) = RJBLK( NCELL, IJ_ALD2_R_IUPAC10 )\n! Reaction Label T16 \n RKI( NCELL, 330) = RJBLK( NCELL, IJ_ACRO_09 )\n! Reaction Label T20 \n RKI( NCELL, 335) = RJBLK( NCELL, IJ_ACRO_09 )\n\n IF ( SEAWATER (NCELL) .GT. 0.001D0 ) THEN\n! Reaction Label HAL_Ozone \n RKI( NCELL, 277) = SEAWATER (NCELL) * SFACT * HALOGEN_FALLOFF( BLKPRES( NCELL ), 6.7006D-11, 1.0743D+01, & \n & 3.4153D-08, -6.7130D-01, 2.0000D-06 )\n ELSE\n RKI( NCELL, 277) = 0.0D0 \n END IF\n\n END DO \n END IF \n\n DO NCELL = 1, NUMCELLS \n! Set-up conversion factors \n INV_TEMP = 1.0D+00 / BLKTEMP( NCELL ) \n CAIR = 1.0D+06 * COEF1 * BLKPRES( NCELL ) * INV_TEMP \n CFACT = 6.0D-05 * CAIR\n CFACT_SQU = 6.0D-11 * CAIR * CAIR \n INV_CAIR = 1.0D0 / CAIR \n INV_CFACT = 6.0D+07 * INV_CAIR \n TEMP = BLKTEMP( NCELL ) \n TEMPOT300 = BLKTEMP( NCELL ) * TI300 \n RFACT = 1.0D+06 * INV_CAIR \n RFACT_SQU = 1.0D+12 * INV_CAIR * INV_CAIR \n\n! Reaction Label R2 \n RKI( NCELL, 2) = CFACT_SQU * POWER_T02( TEMPOT300, 5.6800D-34, -2.6000D+00 )\n! Reaction Label R3 \n RKI( NCELL, 3) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.4000D-12, -1.3100D+03 )\n! Reaction Label R4 \n RKI( NCELL, 4) = CFACT_SQU * POWER_T02( TEMPOT300, 1.0000D-31, -1.6000D+00 )\n! Reaction Label R5 \n RKI( NCELL, 5) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.5000D-12, 1.8800D+02 )\n! Reaction Label R6 \n RKI( NCELL, 6) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 1.3000D-31, 0.0000D+00, -1.5000D+00, & \n & 2.3000D-11, 0.0000D+00, 2.4000D-01, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label R7 \n RKI( NCELL, 7) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.0000D-12, -2.0600D+03 )\n! Reaction Label R10 \n RKI( NCELL, 10) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.2300D-11, 1.1500D+02 )\n! Reaction Label R11 \n RKI( NCELL, 11) = 2.1400D-10 * CFACT \n! Reaction Label R12 \n RKI( NCELL, 12) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.7000D-12, -9.4000D+02 )\n! Reaction Label R13 \n RKI( NCELL, 13) = CFACT * ARRHENUIS_T04( INV_TEMP, TEMPOT300, & \n & 2.0300D-16, 6.9300D+02, 4.5700D+00 )\n! Reaction Label R14 \n RKI( NCELL, 14) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.4000D-11, 1.1000D+02 )\n! Reaction Label R15 \n RKI( NCELL, 15) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-11, 2.2400D+02 )\n! Reaction Label R16 \n RKI( NCELL, 16) = CFACT * ARRHENUIS_T04( INV_TEMP, TEMPOT300, & \n & 6.2000D-14, 9.4500D+02, 2.6000D+00 )\n! Reaction Label R17 \n RKI( NCELL, 17) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 6.9000D-31, 0.0000D+00, -8.0000D-01, & \n & 2.6000D-11, 0.0000D+00, 0.0000D+00, & \n & 1.1300D+00, 5.0000D-01 )\n! Reaction Label R18 \n RKI( NCELL, 18) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.8000D-11, 2.5000D+02 )\n! Reaction Label R19 \n RKI( NCELL, 19) = CFACT * FALLOFF_T09( INV_TEMP, CAIR, & \n & 2.2000D-13, 6.0000D+02, 1.9000D-33, & \n & 9.8000D+02 )\n! Reaction Label R20 \n RKI( NCELL, 20) = CFACT_SQU * FALLOFF_T09( INV_TEMP, CAIR, & \n & 3.0800D-34, 2.8000D+03, 2.6600D-54, & \n & 3.1800D+03 )\n! Reaction Label R22 \n RKI( NCELL, 22) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9000D-12, -1.6000D+02 )\n! Reaction Label R23 \n RKI( NCELL, 23) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.4000D-12, -2.0000D+03 )\n! Reaction Label R24 \n RKI( NCELL, 24) = CFACT_SQU * ARRHENUIS_T03( INV_TEMP, 3.3000D-39, 5.3000D+02 )\n! Reaction Label R25 \n RKI( NCELL, 25) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.4500D-12, 2.7000D+02 )\n! Reaction Label R26 \n RKI( NCELL, 26) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.4000D-13, -2.4700D+03 )\n! Reaction Label R29 \n RKI( NCELL, 29) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.8000D-11, 1.1000D+02 )\n! Reaction Label R30 \n RKI( NCELL, 30) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.5000D-14, -1.2600D+03 )\n! Reaction Label R31 \n RKI( NCELL, 31) = 1.7000D-11 * CFACT \n! Reaction Label R32 \n RKI( NCELL, 32) = 2.0000D-11 * CFACT \n! Reaction Label R33 \n RKI( NCELL, 33) = 4.0000D-12 * CFACT \n! Reaction Label R34 \n RKI( NCELL, 34) = 1.0000D-17 * CFACT \n! Reaction Label R35 \n RKI( NCELL, 35) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.5000D-13, -2.4500D+03 )\n! Reaction Label R36 \n RKI( NCELL, 36) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 3.6000D-30, 0.0000D+00, -4.1000D+00, & \n & 1.9000D-12, 0.0000D+00, 2.0000D-01, & \n & 1.3300D+00, 3.5000D-01 )\n! Reaction Label R37 \n RKI( NCELL, 37) = SFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 1.3000D-03, -1.1000D+04, -3.5000D+00, & \n & 9.7000D+14, -1.1080D+04, 1.0000D-01, & \n & 1.3300D+00, 3.5000D-01 )\n! Reaction Label R39 \n RKI( NCELL, 39) = 1.0000D-22 * CFACT \n! Reaction Label R40 \n RKI( NCELL, 40) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 7.4000D-31, 0.0000D+00, -2.4000D+00, & \n & 3.3000D-11, 0.0000D+00, -3.0000D-01, & \n & 8.7000D-01, 8.1000D-01 )\n! Reaction Label R41 \n RKI( NCELL, 41) = 5.0000D-40 * CFACT_SQU \n! Reaction Label R42 \n RKI( NCELL, 42) = 1.0000D-20 * CFACT \n! Reaction Label R44 \n RKI( NCELL, 44) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.5000D-12, 2.6000D+02 )\n! Reaction Label R45 \n RKI( NCELL, 45) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 1.8000D-30, 0.0000D+00, -3.0000D+00, & \n & 2.8000D-11, 0.0000D+00, 0.0000D+00, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label R46 \n RKI( NCELL, 46) = CFACT * FALLOFF_T08( INV_TEMP, CAIR, & \n & 2.4000D-14, 4.6000D+02, 2.7000D-17, & \n & 2.1990D+03, 6.5000D-34, 1.3350D+03 )\n! Reaction Label R48 \n RKI( NCELL, 48) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 1.8000D-31, 0.0000D+00, -3.2000D+00, & \n & 4.7000D-12, 0.0000D+00, 0.0000D+00, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label R49 \n RKI( NCELL, 49) = SFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 4.1000D-05, -1.0650D+04, 0.0000D+00, & \n & 4.8000D+15, -1.1170D+04, 0.0000D+00, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label R51 \n RKI( NCELL, 51) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.2000D-13, 6.9000D+02 )\n! Reaction Label R52 \n RKI( NCELL, 52) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 4.5000D-31, 0.0000D+00, -3.9000D+00, & \n & 1.3000D-12, 0.0000D+00, -7.0000D-01, & \n & 1.1000D+00, 5.3000D-01 )\n! Reaction Label R53 \n RKI( NCELL, 53) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.5000D-12, 2.9000D+02 )\n! Reaction Label R54 \n RKI( NCELL, 54) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 2.7000D-28, 0.0000D+00, -7.1000D+00, & \n & 1.2000D-11, 0.0000D+00, -9.0000D-01, & \n & 1.4100D+00, 3.0000D-01 )\n! Reaction Label R55 \n RKI( NCELL, 55) = SFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 4.9000D-03, -1.2100D+04, 0.0000D+00, & \n & 5.4000D+16, -1.3830D+04, 0.0000D+00, & \n & 1.4100D+00, 3.0000D-01 )\n! Reaction Label R57 \n RKI( NCELL, 57) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.2000D-13, 9.8000D+02 )\n! Reaction Label R58 \n RKI( NCELL, 58) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.9000D-13, 8.0000D+02 )\n! Reaction Label R59 \n RKI( NCELL, 59) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9000D-12, 5.0000D+02 )\n! Reaction Label R60 \n RKI( NCELL, 60) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9000D-12, 5.0000D+02 )\n! Reaction Label R61 \n RKI( NCELL, 61) = CFACT * ARRHENUIS_T03( INV_TEMP, 6.7000D-12, 3.4000D+02 )\n! Reaction Label R62 \n RKI( NCELL, 62) = RKI( NCELL, 54 ) \n! Reaction Label R63 \n RKI( NCELL, 63) = RKI( NCELL, 55 ) \n! Reaction Label R65 \n RKI( NCELL, 65) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.2000D-13, 9.8000D+02 )\n! Reaction Label R66 \n RKI( NCELL, 66) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.9000D-13, 8.0000D+02 )\n! Reaction Label R67 \n RKI( NCELL, 67) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.2000D-12, 5.0000D+02 )\n! Reaction Label R68 \n RKI( NCELL, 68) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.4000D-12, 3.6000D+02 )\n! Reaction Label R69 \n RKI( NCELL, 69) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.8000D-13, 8.0000D+02 )\n! Reaction Label R70 \n RKI( NCELL, 70) = CFACT * ARRHENUIS_T03( INV_TEMP, 6.5000D-14, 5.0000D+02 )\n! Reaction Label R71 \n RKI( NCELL, 71) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.3000D-12, 3.6000D+02 )\n! Reaction Label R72 \n RKI( NCELL, 72) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.8000D-13, 7.8000D+02 )\n! Reaction Label R73 \n RKI( NCELL, 73) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.0000D-12, 5.0000D+02 )\n! Reaction Label R74 \n RKI( NCELL, 74) = RKI( NCELL, 70 ) \n! Reaction Label R75 \n RKI( NCELL, 75) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label R76 \n RKI( NCELL, 76) = CFACT * ARRHENUIS_T03( INV_TEMP, 6.8000D-13, 8.0000D+02 )\n! Reaction Label R77 \n RKI( NCELL, 77) = RKI( NCELL, 58 ) \n! Reaction Label R78 \n RKI( NCELL, 78) = RKI( NCELL, 70 ) \n! Reaction Label R79 \n RKI( NCELL, 79) = RKI( NCELL, 75 ) \n! Reaction Label R80 \n RKI( NCELL, 80) = RKI( NCELL, 76 ) \n! Reaction Label R81 \n RKI( NCELL, 81) = RKI( NCELL, 58 ) \n! Reaction Label R82 \n RKI( NCELL, 82) = RKI( NCELL, 70 ) \n! Reaction Label R83 \n RKI( NCELL, 83) = RKI( NCELL, 75 ) \n! Reaction Label R84 \n RKI( NCELL, 84) = RKI( NCELL, 76 ) \n! Reaction Label R85 \n RKI( NCELL, 85) = RKI( NCELL, 58 ) \n! Reaction Label R86 \n RKI( NCELL, 86) = RKI( NCELL, 70 ) \n! Reaction Label R87 \n RKI( NCELL, 87) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.3000D-12, 1.9000D+02 )\n! Reaction Label R89 \n RKI( NCELL, 89) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.3000D-12, 1.9000D+02 )\n! Reaction Label R91 \n RKI( NCELL, 91) = 2.0000D-12 * CFACT \n! Reaction Label R93 \n RKI( NCELL, 93) = 4.5000D-13 * CFACT \n! Reaction Label R94 \n RKI( NCELL, 94) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.0000D-14, 8.5000D+02 )\n! Reaction Label R95 \n RKI( NCELL, 95) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.3000D-12, 1.9000D+02 )\n! Reaction Label R96 \n RKI( NCELL, 96) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.4000D-12, 1.3500D+02 )\n! Reaction Label R99 \n RKI( NCELL, 99) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.4000D-11, -1.6000D+03 )\n! Reaction Label R100 \n RKI( NCELL, 100) = 5.5000D-16 * CFACT \n! Reaction Label R101 \n RKI( NCELL, 101) = CFACT * ARRHENUIS_T03( INV_TEMP, 9.7000D-15, 6.2500D+02 )\n! Reaction Label R102 \n RKI( NCELL, 102) = SFACT * ARRHENUIS_T03( INV_TEMP, 2.4000D+12, -7.0000D+03 )\n! Reaction Label R103 \n RKI( NCELL, 103) = 5.6000D-12 * CFACT \n! Reaction Label R104 \n RKI( NCELL, 104) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.6000D-15, 2.3000D+03 )\n! Reaction Label R105 \n RKI( NCELL, 105) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.8000D-11, -1.1000D+03 )\n! Reaction Label R106 \n RKI( NCELL, 106) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.7000D-12, 3.4500D+02 )\n! Reaction Label R107 \n RKI( NCELL, 107) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.4000D-12, -1.8600D+03 )\n! Reaction Label R109 \n RKI( NCELL, 109) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.3000D-11, -8.7000D+02 )\n! Reaction Label R110 \n RKI( NCELL, 110) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.9000D-12, 4.0500D+02 )\n! Reaction Label R111 \n RKI( NCELL, 111) = 6.3000D-15 * CFACT \n! Reaction Label R113 \n RKI( NCELL, 113) = 8.0000D-12 * CFACT \n! Reaction Label R115 \n RKI( NCELL, 115) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.4000D-12, -1.8600D+03 )\n! Reaction Label R116 \n RKI( NCELL, 116) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.1000D-12, 3.4000D+02 )\n! Reaction Label R118 \n RKI( NCELL, 118) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.4000D-12, -1.8600D+03 )\n! Reaction Label R120 \n RKI( NCELL, 120) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.4000D-12, -1.8600D+03 )\n! Reaction Label R121 \n RKI( NCELL, 121) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.9000D-12, 5.7500D+02 )\n! Reaction Label R122 \n RKI( NCELL, 122) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.7000D-12, -2.1000D+03 )\n! Reaction Label R123 \n RKI( NCELL, 123) = CFACT * FALLOFF_T09( INV_TEMP, CAIR, & \n & 1.4400D-13, 0.0000D+00, 3.4300D-33, & \n & 0.0000D+00 )\n! Reaction Label R124 \n RKI( NCELL, 124) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.8500D-12, -1.6900D+03 )\n! Reaction Label R125 \n RKI( NCELL, 125) = CFACT * ARRHENUIS_T03( INV_TEMP, 6.9000D-12, -1.0000D+03 )\n! Reaction Label R126 \n RKI( NCELL, 126) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.8500D-12, -3.4500D+02 )\n! Reaction Label R127 \n RKI( NCELL, 127) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.0000D-12, 2.0000D+01 )\n! Reaction Label R130 \n RKI( NCELL, 130) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.4100D-12, -6.2060D+02 )\n! Reaction Label R131 \n RKI( NCELL, 131) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.6000D-12, -5.8500D+02 )\n! Reaction Label R132 \n RKI( NCELL, 132) = 8.1000D-13 * CFACT \n! Reaction Label R133 \n RKI( NCELL, 133) = SFACT * ARRHENUIS_T03( INV_TEMP, 5.7000D+12, -5.7800D+03 )\n! Reaction Label R134 \n RKI( NCELL, 134) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.5000D-14, -2.0000D+02 )\n! Reaction Label R135 \n RKI( NCELL, 135) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.6000D-12, 4.0000D+02 )\n! Reaction Label R136 \n RKI( NCELL, 136) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 5.0000D-30, 0.0000D+00, -1.5000D+00, & \n & 1.0000D-12, 0.0000D+00, 0.0000D+00, & \n & 1.3000D+00, 3.7000D-01 )\n! Reaction Label R137 \n RKI( NCELL, 137) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.0400D-11, -7.9200D+02 )\n! Reaction Label R138 \n RKI( NCELL, 138) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 8.6000D-29, 0.0000D+00, -3.1000D+00, & \n & 9.0000D-12, 0.0000D+00, -8.5000D-01, & \n & 1.1500D+00, 4.8000D-01 )\n! Reaction Label R139 \n RKI( NCELL, 139) = CFACT * ARRHENUIS_T03( INV_TEMP, 9.1000D-15, -2.5800D+03 )\n! Reaction Label R140 \n RKI( NCELL, 140) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.3000D-12, -2.8800D+03 )\n! Reaction Label R141 \n RKI( NCELL, 141) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.0000D-11, -2.8000D+02 )\n! Reaction Label R142 \n RKI( NCELL, 142) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 8.0000D-27, 0.0000D+00, -3.5000D+00, & \n & 3.0000D-11, 0.0000D+00, -1.0000D+00, & \n & 1.1300D+00, 5.0000D-01 )\n! Reaction Label R143 \n RKI( NCELL, 143) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.5000D-15, -1.8800D+03 )\n! Reaction Label R144 \n RKI( NCELL, 144) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.6000D-13, -1.1550D+03 )\n! Reaction Label R145 \n RKI( NCELL, 145) = 2.3000D-11 * CFACT \n! Reaction Label R146 \n RKI( NCELL, 146) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.0500D-11, 5.1900D+02 )\n! Reaction Label R147 \n RKI( NCELL, 147) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.7000D-15, -1.0130D+03 )\n! Reaction Label R148 \n RKI( NCELL, 148) = 3.7000D-13 * CFACT \n! Reaction Label R149 \n RKI( NCELL, 149) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-11, 3.9000D+02 )\n! Reaction Label R150 \n RKI( NCELL, 150) = 3.0000D-11 * CFACT \n! Reaction Label R151 \n RKI( NCELL, 151) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.3900D-12, 3.6500D+02 )\n! Reaction Label R152 \n RKI( NCELL, 152) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4300D-13, 7.0000D+02 )\n! Reaction Label R153 \n RKI( NCELL, 153) = RKI( NCELL, 58 ) \n! Reaction Label R154 \n RKI( NCELL, 154) = RKI( NCELL, 70 ) \n! Reaction Label R155 \n RKI( NCELL, 155) = SFACT * ARRHENUIS_T03( INV_TEMP, 3.3000D+09, -8.3000D+03 )\n! Reaction Label R156 \n RKI( NCELL, 156) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.0300D-14, -1.9950D+03 )\n! Reaction Label R157 \n RKI( NCELL, 157) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.0300D-12, -4.4800D+02 )\n! Reaction Label R158 \n RKI( NCELL, 158) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.5800D-12, 5.1100D+02 )\n! Reaction Label R159 \n RKI( NCELL, 159) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.8800D-15, -1.7700D+03 )\n! Reaction Label R160 \n RKI( NCELL, 160) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.1000D-12, -1.8600D+03 )\n! Reaction Label R162 \n RKI( NCELL, 162) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.2300D-11, 3.7200D+02 )\n! Reaction Label R164 \n RKI( NCELL, 164) = CFACT * ARRHENUIS_T03( INV_TEMP, 6.0000D-12, -1.8600D+03 )\n! Reaction Label R165 \n RKI( NCELL, 165) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.7800D-11, -4.0000D+02 )\n! Reaction Label R166 \n RKI( NCELL, 166) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4300D-13, 7.0000D+02 )\n! Reaction Label R167 \n RKI( NCELL, 167) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.3900D-12, 3.6500D+02 )\n! Reaction Label R168 \n RKI( NCELL, 168) = RKI( NCELL, 58 ) \n! Reaction Label R169 \n RKI( NCELL, 169) = RKI( NCELL, 70 ) \n! Reaction Label R170 \n RKI( NCELL, 170) = 3.1000D-11 * CFACT \n! Reaction Label R171 \n RKI( NCELL, 171) = 3.6000D-11 * CFACT \n! Reaction Label R172 \n RKI( NCELL, 172) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.5000D-11, 4.4900D+02 )\n! Reaction Label R173 \n RKI( NCELL, 173) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.2000D-15, -8.2100D+02 )\n! Reaction Label R174 \n RKI( NCELL, 174) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.7000D-12, 1.7500D+02 )\n! Reaction Label R171a \n RKI( NCELL, 175) = 3.6000D-11 * CFACT \n! Reaction Label R172a \n RKI( NCELL, 176) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.5000D-11, 4.4900D+02 )\n! Reaction Label R173a \n RKI( NCELL, 177) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.2000D-15, -8.2100D+02 )\n! Reaction Label R174a \n RKI( NCELL, 178) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.7000D-12, 1.7500D+02 )\n! Reaction Label R175 \n RKI( NCELL, 179) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.3000D-12, -1.9000D+02 )\n! Reaction Label R176 \n RKI( NCELL, 180) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label R177 \n RKI( NCELL, 181) = RKI( NCELL, 58 ) \n! Reaction Label R178 \n RKI( NCELL, 182) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.9000D-13, 1.3000D+03 )\n! Reaction Label R179 \n RKI( NCELL, 183) = RKI( NCELL, 70 ) \n! Reaction Label R180 \n RKI( NCELL, 184) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.8000D-12, 3.4000D+02 )\n! Reaction Label R181 \n RKI( NCELL, 185) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label R182 \n RKI( NCELL, 186) = RKI( NCELL, 58 ) \n! Reaction Label R183 \n RKI( NCELL, 187) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.9000D-13, 1.3000D+03 )\n! Reaction Label R184 \n RKI( NCELL, 188) = RKI( NCELL, 70 ) \n! Reaction Label R185 \n RKI( NCELL, 189) = 1.8500D-11 * CFACT \n! Reaction Label R185a \n RKI( NCELL, 190) = 1.8500D-11 * CFACT \n! Reaction Label R186 \n RKI( NCELL, 191) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label R187 \n RKI( NCELL, 192) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.9000D-13, 1.3000D+03 )\n! Reaction Label R188 \n RKI( NCELL, 193) = RKI( NCELL, 58 ) \n! Reaction Label R189 \n RKI( NCELL, 194) = RKI( NCELL, 70 ) \n! Reaction Label R190 \n RKI( NCELL, 195) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.7000D-12, 9.5000D+02 )\n! Reaction Label R191 \n RKI( NCELL, 196) = 1.4000D-11 * CFACT \n! Reaction Label R192 \n RKI( NCELL, 197) = 2.1000D-12 * CFACT \n! Reaction Label R193 \n RKI( NCELL, 198) = 5.5000D-12 * CFACT \n! Reaction Label R194 \n RKI( NCELL, 199) = 1.5300D-12 * CFACT \n! Reaction Label R195 \n RKI( NCELL, 200) = 3.8000D-12 * CFACT \n! Reaction Label R198 \n RKI( NCELL, 203) = 9.0000D-11 * CFACT \n! Reaction Label R199 \n RKI( NCELL, 204) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.0800D-16, -5.0000D+02 )\n! Reaction Label R200 \n RKI( NCELL, 205) = 3.0000D-12 * CFACT \n! Reaction Label R202 \n RKI( NCELL, 207) = 4.4000D-11 * CFACT \n! Reaction Label R203 \n RKI( NCELL, 208) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.4000D-17, -5.0000D+02 )\n! Reaction Label R204 \n RKI( NCELL, 209) = 3.8000D-12 * CFACT \n! Reaction Label R205 \n RKI( NCELL, 210) = 5.0000D-11 * CFACT \n! Reaction Label R206 \n RKI( NCELL, 211) = 1.7000D-10 * CFACT \n! Reaction Label R207 \n RKI( NCELL, 212) = 1.0000D-11 * CFACT \n! Reaction Label R208 \n RKI( NCELL, 213) = RKI( NCELL, 54 ) \n! Reaction Label R209 \n RKI( NCELL, 214) = RKI( NCELL, 55 ) \n! Reaction Label R210 \n RKI( NCELL, 215) = RKI( NCELL, 57 ) \n! Reaction Label R211 \n RKI( NCELL, 216) = RKI( NCELL, 59 ) \n! Reaction Label R212 \n RKI( NCELL, 217) = RKI( NCELL, 58 ) \n! Reaction Label R213 \n RKI( NCELL, 218) = 3.6000D-11 * CFACT \n! Reaction Label R214 \n RKI( NCELL, 219) = 3.0000D-12 * CFACT \n! Reaction Label R216 \n RKI( NCELL, 220) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.8500D-12, -1.6900D+03 )\n! Reaction Label R217 \n RKI( NCELL, 221) = SFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 2.3700D-21, 0.0000D+00, 0.0000D+00, & \n & 4.3000D-01, 0.0000D+00, -8.0000D+00, & \n & 1.0000D+00, 4.1000D-01 )\n! Reaction Label R218 \n RKI( NCELL, 222) = 1.0000D+00 * SFACT \n! Reaction Label R219 \n RKI( NCELL, 223) = SFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 4.8100D-20, 0.0000D+00, 0.0000D+00, & \n & 4.3000D-01, 0.0000D+00, -8.0000D+00, & \n & 1.0000D+00, 4.1000D-01 )\n! Reaction Label R220 \n RKI( NCELL, 224) = 1.0000D+00 * SFACT \n! Reaction Label CL3 \n RKI( NCELL, 227) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.3000D-11, -2.0000D+02 )\n! Reaction Label CL4 \n RKI( NCELL, 228) = 1.6300D-14 * CFACT \n! Reaction Label CL5 \n RKI( NCELL, 229) = CFACT * ARRHENUIS_T03( INV_TEMP, 6.4000D-12, 2.9000D+02 )\n! Reaction Label CL6 \n RKI( NCELL, 230) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.2000D-12, 3.4000D+02 )\n! Reaction Label CL7 \n RKI( NCELL, 231) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.2000D-12, -1.1000D+02 )\n! Reaction Label CL8 \n RKI( NCELL, 232) = 5.0000D-13 * CFACT \n! Reaction Label CL10 \n RKI( NCELL, 234) = CFACT * ARRHENUIS_T03( INV_TEMP, 6.6000D-12, -1.2400D+03 )\n! Reaction Label CL11 \n RKI( NCELL, 235) = 5.0000D-11 * CFACT \n! Reaction Label CL12 \n RKI( NCELL, 236) = 1.4000D-10 * CFACT \n! Reaction Label CL13 \n RKI( NCELL, 237) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.3000D-11, -1.0000D+02 )\n! Reaction Label CL14 \n RKI( NCELL, 238) = 1.0700D-10 * CFACT \n! Reaction Label CL15 \n RKI( NCELL, 239) = 2.5000D-10 * CFACT \n! Reaction Label CL16 \n RKI( NCELL, 240) = 3.5000D-10 * CFACT \n! Reaction Label CL17 \n RKI( NCELL, 241) = 4.3000D-10 * CFACT \n! Reaction Label CL18 \n RKI( NCELL, 242) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.2000D-11, -3.4000D+01 )\n! Reaction Label CL19 \n RKI( NCELL, 243) = 7.9000D-11 * CFACT \n! Reaction Label CL20 \n RKI( NCELL, 244) = 1.3000D-10 * CFACT \n! Reaction Label CL21 \n RKI( NCELL, 245) = 5.5000D-11 * CFACT \n! Reaction Label CL22 \n RKI( NCELL, 246) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.2000D-11, 4.5000D+01 )\n! Reaction Label CL23 \n RKI( NCELL, 247) = CFACT * ARRHENUIS_T04( INV_TEMP, TEMPOT300, & \n & 6.5800D-13, 5.8000D+01, 1.1600D+00 )\n! Reaction Label CL24 \n RKI( NCELL, 248) = 6.1000D-11 * CFACT \n! Reaction Label CL25 \n RKI( NCELL, 249) = 1.2000D-10 * CFACT \n! Reaction Label CL26 \n RKI( NCELL, 250) = 1.2000D-10 * CFACT \n! Reaction Label CL28 \n RKI( NCELL, 252) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 1.8000D-31, 0.0000D+00, -3.4000D+00, & \n & 1.5000D-11, 0.0000D+00, -1.9000D+00, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label HET_CLNO3_WAJ \n RKI( NCELL, 255) = BLKHET( NCELL, IK_HETERO_CLNO3_WAJ )\n! Reaction Label SA01 \n RKI( NCELL, 256) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label SA02 \n RKI( NCELL, 257) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.9000D-13, 1.3000D+03 )\n! Reaction Label SA03 \n RKI( NCELL, 258) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label SA04 \n RKI( NCELL, 259) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.9000D-13, 1.3000D+03 )\n! Reaction Label SA06 \n RKI( NCELL, 260) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label SA07 \n RKI( NCELL, 261) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.9000D-13, 1.3000D+03 )\n! Reaction Label SA08 \n RKI( NCELL, 262) = 1.1600D-14 * CFACT \n! Reaction Label SA09 \n RKI( NCELL, 263) = 1.9700D-10 * CFACT \n! Reaction Label SA10 \n RKI( NCELL, 264) = 1.9000D-11 * CFACT \n! Reaction Label SA11 \n RKI( NCELL, 265) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label SA12 \n RKI( NCELL, 266) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.9000D-13, 1.3000D+03 )\n! Reaction Label SA13 \n RKI( NCELL, 267) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.7400D+02 )\n! Reaction Label HET_NTR2 \n RKI( NCELL, 268) = 1.4000D+00 * BLKHET( NCELL, IK_HETERO_NTR2 )\n! Reaction Label HET_N2O5IJ \n RKI( NCELL, 269) = BLKHET( NCELL, IK_HETERO_N2O5IJ )\n! Reaction Label HET_N2O5K \n RKI( NCELL, 270) = BLKHET( NCELL, IK_HETERO_N2O5K )\n! Reaction Label HET_H2NO3PIJA \n RKI( NCELL, 271) = BLKHET( NCELL, IK_HETERO_H2NO3PAIJ )\n! Reaction Label HET_H2NO3PKA \n RKI( NCELL, 272) = BLKHET( NCELL, IK_HETERO_H2NO3PAK )\n! Reaction Label HET_H2NO3PIB \n RKI( NCELL, 273) = BLKHET( NCELL, IK_HETERO_H2NO3PBIJ )\n! Reaction Label HET_H2NO3PJB \n RKI( NCELL, 274) = BLKHET( NCELL, IK_HETERO_H2NO3PBIJ )\n! Reaction Label HET_H2NO3PKB \n RKI( NCELL, 275) = BLKHET( NCELL, IK_HETERO_H2NO3PBK )\n! Reaction Label HET_N02 \n RKI( NCELL, 276) = BLKHET( NCELL, IK_HETERO_NO2 )\n! Reaction Label HET_IEPOX \n RKI( NCELL, 278) = BLKHET( NCELL, IK_HETERO_IEPOX )\n! Reaction Label HET_IEPOXOS \n RKI( NCELL, 279) = BLKHET( NCELL, IK_HETERO_IEPOXOS )\n! Reaction Label HET_TETROL \n RKI( NCELL, 280) = BLKHET( NCELL, IK_HETERO_TETROL )\n! Reaction Label HET_GLY \n RKI( NCELL, 281) = BLKHET( NCELL, IK_HETERO_GLY )\n! Reaction Label HET_MGLY \n RKI( NCELL, 282) = BLKHET( NCELL, IK_HETERO_MGLY )\n! Reaction Label BL18a \n RKI( NCELL, 283) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.6000D-12, 3.8000D+02 )\n! Reaction Label BL18b \n RKI( NCELL, 284) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.6500D-13, 1.3000D+03 )\n! Reaction Label BL18c \n RKI( NCELL, 285) = 2.3000D-12 * CFACT \n! Reaction Label BL18d \n RKI( NCELL, 286) = 3.5000D-14 * CFACT \n! Reaction Label CP07mtp \n RKI( NCELL, 287) = 1.9200D-10 * CFACT \n! Reaction Label BP70mtp \n RKI( NCELL, 288) = 7.2000D-12 * CFACT \n! Reaction Label HYD_MT \n RKI( NCELL, 290) = 9.2590D-05 * SFACT \n! Reaction Label OLIG_AROMATIC1 \n RKI( NCELL, 291) = 9.4882D-06 * SFACT \n! Reaction Label OLIG_AROMATIC2 \n RKI( NCELL, 292) = 9.4882D-06 * SFACT \n! Reaction Label OLIG_AROMATIC3 \n RKI( NCELL, 293) = 9.4882D-06 * SFACT \n! Reaction Label OLIG_ISOPRENE1 \n RKI( NCELL, 294) = 9.4882D-06 * SFACT \n! Reaction Label OLIG_ISOPRENE2 \n RKI( NCELL, 295) = 9.4882D-06 * SFACT \n! Reaction Label OLIG_SESQT1 \n RKI( NCELL, 296) = 9.4882D-06 * SFACT \n! Reaction Label RPOAGEPI \n RKI( NCELL, 297) = 2.5000D-12 * CFACT \n! Reaction Label RPOAGELI \n RKI( NCELL, 298) = BLKHET( NCELL, IK_HETERO_PNCOMLI )\n! Reaction Label RPOAGEPJ \n RKI( NCELL, 299) = 2.5000D-12 * CFACT \n! Reaction Label RPOAGELJ \n RKI( NCELL, 300) = BLKHET( NCELL, IK_HETERO_PNCOMLJ )\n! Reaction Label PCSOA \n RKI( NCELL, 301) = 1.2500D-11 * CFACT \n! Reaction Label POA_AGE1 \n RKI( NCELL, 302) = 4.0000D-11 * CFACT \n! Reaction Label POA_AGE2 \n RKI( NCELL, 303) = 4.0000D-11 * CFACT \n! Reaction Label POA_AGE3 \n RKI( NCELL, 304) = 4.0000D-11 * CFACT \n! Reaction Label POA_AGE4 \n RKI( NCELL, 305) = 4.0000D-11 * CFACT \n! Reaction Label POA_AGE5 \n RKI( NCELL, 306) = 4.0000D-11 * CFACT \n! Reaction Label POA_AGE6 \n RKI( NCELL, 307) = 4.0000D-11 * CFACT \n! Reaction Label POA_AGE7 \n RKI( NCELL, 308) = 4.0000D-11 * CFACT \n! Reaction Label POA_AGE8 \n RKI( NCELL, 309) = 4.0000D-11 * CFACT \n! Reaction Label POA_AGE9 \n RKI( NCELL, 310) = 4.0000D-11 * CFACT \n! Reaction Label POA_AGE10 \n RKI( NCELL, 311) = 4.0000D-11 * CFACT \n! Reaction Label T01 \n RKI( NCELL, 312) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.4000D-12, 1.3500D+02 )\n! Reaction Label T02 \n RKI( NCELL, 313) = 5.5000D-16 * CFACT \n! Reaction Label T03 \n RKI( NCELL, 314) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.4000D-11, -1.6000D+03 )\n! Reaction Label TCL1 \n RKI( NCELL, 317) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.2000D-11, -3.4000D+01 )\n! Reaction Label T06 \n RKI( NCELL, 318) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.7000D-12, 3.4500D+02 )\n! Reaction Label T07 \n RKI( NCELL, 319) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.4000D-12, -1.8600D+03 )\n! Reaction Label T08 \n RKI( NCELL, 320) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.8000D-11, -1.1000D+03 )\n! Reaction Label TCL2 \n RKI( NCELL, 322) = 7.9000D-11 * CFACT \n! Reaction Label T10 \n RKI( NCELL, 323) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.4800D-11, 4.4800D+02 )\n! Reaction Label T11 \n RKI( NCELL, 324) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.3400D-14, -2.2830D+03 )\n! Reaction Label T12 \n RKI( NCELL, 325) = 1.7900D-13 * CFACT \n! Reaction Label TCL3 \n RKI( NCELL, 326) = 2.5100D-10 * CFACT \n! Reaction Label T13 \n RKI( NCELL, 327) = 2.0000D-11 * CFACT \n! Reaction Label T14 \n RKI( NCELL, 328) = 2.6100D-19 * CFACT \n! Reaction Label T15 \n RKI( NCELL, 329) = 1.1500D-15 * CFACT \n! Reaction Label TCL4 \n RKI( NCELL, 331) = 2.3700D-10 * CFACT \n! Reaction Label T17 \n RKI( NCELL, 332) = 2.0000D-11 * CFACT \n! Reaction Label T18 \n RKI( NCELL, 333) = 2.6100D-19 * CFACT \n! Reaction Label T19 \n RKI( NCELL, 334) = 1.1500D-15 * CFACT \n! Reaction Label TCL5 \n RKI( NCELL, 336) = 2.3700D-10 * CFACT \n! Reaction Label T21 \n RKI( NCELL, 337) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.8000D-12, 3.4000D+02 )\n! Reaction Label TCL6 \n RKI( NCELL, 338) = 6.1000D-11 * CFACT \n! Reaction Label HG1 \n RKI( NCELL, 339) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.1100D-18, -1.2565D+03 )\n! Reaction Label HG2 \n RKI( NCELL, 340) = 2.6000D-18 * CFACT \n! Reaction Label HG3 \n RKI( NCELL, 341) = 8.5000D-19 * CFACT \n! Reaction Label HG4 \n RKI( NCELL, 342) = 7.7000D-14 * CFACT \n! Reaction Label HG5 \n RKI( NCELL, 343) = CFACT_SQU * ARRHENUIS_T03( INV_TEMP, 2.2500D-33, 6.8000D+02 )\n\n END DO \n! Multiply rate constants by [M], [O2], [N2], [H2O], [H2], or [CH4]\n! where needed and return\n IF ( NWM .GT. 0 ) THEN\n DO NRT = 1, NWM\n IRXN = NRXWM( NRT )\n DO NCELL = 1, NUMCELLS\n RKI( NCELL,IRXN ) = RKI( NCELL,IRXN ) * ATM_AIR\n END DO\n END DO\n END IF\n IF ( NWO2 .GT. 0 ) THEN\n DO NRT = 1, NWO2\n IRXN = NRXWO2( NRT )\n DO NCELL = 1, NUMCELLS\n RKI( NCELL,IRXN ) = RKI( NCELL,IRXN ) * ATM_O2\n END DO\n END DO\n END IF\n IF ( NWN2 .GT. 0 ) THEN\n DO NRT = 1, NWN2\n IRXN = NRXWN2( NRT )\n DO NCELL = 1, NUMCELLS\n RKI( NCELL,IRXN ) = RKI( NCELL,IRXN ) * ATM_N2\n END DO\n END DO\n END IF\n IF ( NWW .GT. 0 ) THEN\n DO NRT = 1, NWW\n IRXN = NRXWW( NRT )\n DO NCELL = 1, NUMCELLS\n RKI( NCELL,IRXN ) = RKI( NCELL,IRXN ) * BLKH2O( NCELL )\n END DO\n END DO\n END IF\n IF ( NWH2 .GT. 0 ) THEN\n DO NRT = 1, NWH2\n IRXN = NRXWH2( NRT )\n DO NCELL = 1, NUMCELLS\n RKI( NCELL,IRXN ) = RKI( NCELL,IRXN ) * ATM_H2\n END DO\n END DO\n END IF\n IF ( NWCH4 .GT. 0 ) THEN\n DO NRT = 1, NWCH4\n IRXN = NRXWCH4( NRT )\n DO NCELL = 1, NUMCELLS\n RKI( NCELL,IRXN ) = RKI( NCELL,IRXN ) * ATM_CH4\n END DO\n END DO\n END IF\n RETURN\n END SUBROUTINE CALC_RCONST\n FUNCTION MAP_CHEMISTRY_SPECIES() RESULT ( SUCCESS )\n\n! Purpose find or test the CGRID Index, Species Type, and Conversion Factor\n! for the Mechanism against the CMAQ namelists\n\n USE UTILIO_DEFN\n USE CGRID_SPCS\n USE RXNS_DATA\n\n IMPLICIT NONE\n\n!Parameters:\n CHARACTER( 1 ), PARAMETER :: BL = ' '\n INTEGER, PARAMETER :: SPC_DIM = 200\n!Local:\n\n LOGICAL SUCCESS\n INTEGER I, IOS, J\n INTEGER I1, I2, I3, I4 ! SURROGATE TYPE 1 COUNTERS\n INTEGER J1, J2 ! SURROGATE TYPE 2 COUNTERS\n INTEGER K1, K2, K3, K4, K5 ! CONTROL TYPE COUNTERS\n INTEGER ICALL\n\n LOGICAL :: ORDER = .TRUE.\n LOGICAL :: FOUND = .TRUE.\n\n CHARACTER( 120 ) :: XMSG\n\n CHARACTER( 16 ), ALLOCATABLE :: CGRID_SPC ( : )\n CHARACTER( 16 ), ALLOCATABLE :: NML_SPC ( : )\n CHARACTER( 2 ), ALLOCATABLE :: NML_TYPE ( : )\n INTEGER, ALLOCATABLE :: NML_INDEX ( : )\n LOGICAL, ALLOCATABLE :: NML_CONVERT( : )\n REAL, ALLOCATABLE :: NML_MOLWT ( : )\n REAL :: DELTA ! fractional difference\n\n LOGICAL, SAVE :: INITIALIZED = .FALSE.\n\n IF( INITIALIZED )RETURN\n\n INITIALIZED = .TRUE.\n SUCCESS = .TRUE.\n\n\n ALLOCATE ( CGRID_SPC( NSPCSD - 1 ), &\n & NML_SPC ( NSPCSD - 1 ), &\n & NML_INDEX( NSPCSD - 1 ), &\n & NML_TYPE( NSPCSD - 1 ), &\n & NML_CONVERT( NSPCSD - 1 ), &\n & NML_MOLWT( NSPCSD - 1 ), &\n & STAT = IOS )\n\n\n J = 0\n\n\n NML_INDEX = -1\n TYPE_INDEX = -1\n NML_TYPE = '??'\n NML_CONVERT = .FALSE.\n\n DO I = 1, N_GC_SPC ! load gc names and indices\n J = J + 1\n CGRID_SPC( I ) = GC_SPC( I )\n NML_INDEX( J ) = I + GC_STRT -1\n NML_TYPE( J ) = 'GC'\n NML_MOLWT( J ) = GC_MOLWT( I )\n END DO\n\n DO I = 1, N_AE_SPC ! load ae names and indices\n J = J + 1\n CGRID_SPC( J ) = AE_SPC( I )\n NML_INDEX( J ) = I + AE_STRT - 1\n NML_TYPE( J ) = 'AE'\n NML_CONVERT( J ) = .TRUE.\n NML_MOLWT( J ) = AE_MOLWT( I )\n END DO\n\n DO I = 1, N_NR_SPC ! load nr names and indices\n J = J + 1\n CGRID_SPC( J ) = NR_SPC( I )\n NML_INDEX( J ) = I + NR_STRT - 1\n NML_TYPE( J ) = 'NR'\n NML_MOLWT( J ) = NR_MOLWT( I )\n END DO\n\n DO I = 1, N_TR_SPC ! load tr names and indices\n J = J + 1\n CGRID_SPC( J ) = TR_SPC( I )\n NML_INDEX( J ) = I + TR_STRT - 1\n NML_TYPE( J ) = 'TR'\n NML_MOLWT( J ) = TR_MOLWT( I )\n END DO\n\n NML_SPC( 1:(NSPCSD-1) ) = CGRID_SPC( 1:(NSPCSD-1) )\n\n\n! determine if mechanism species are in cgrid species\n\n DO I = 1, NUMB_MECH_SPC\n! set species informations arrays using SPECIES_LIST array before mapping\n CHEMISTRY_SPC( I ) = SPECIES_LIST( I )%CHEMISTRY_SPC\n CGRID_INDEX ( I ) = SPECIES_LIST( I )%CGRID_INDEX\n SPECIES_TYPE ( I ) = SPECIES_LIST( I )%SPECIES_TYPE\n CONVERT_CONC ( I ) = SPECIES_LIST( I )%CONVERT_CONC\n SPECIES_MOLWT( I ) = SPECIES_LIST( I )%SPECIES_MOLWT\n\n I1 = INDEX1R( CHEMISTRY_SPC( I ), (NSPCSD-1), CGRID_SPC )\n IF ( I1 .LT. 1 ) THEN\n FOUND = .FALSE.\n ELSE\n FOUND = .TRUE.\n IF( .NOT. MAPPED_TO_CGRID )THEN\n CGRID_INDEX( I ) = NML_INDEX( I1 )\n SPECIES_TYPE( I ) = NML_TYPE ( I1 )\n SPECIES_MOLWT( I ) = NML_MOLWT( I1 )\n CONVERT_CONC( I ) = NML_CONVERT( I1 )\n ELSE\n IF(CGRID_INDEX( I ) .NE. NML_INDEX( I1 ))THEN\n SUCCESS = .FALSE.\n XMSG = '*** For Species ' // TRIM( CHEMISTRY_SPC( I ) ) &\n & // ' cgrid index does not match mechanism value.'\n WRITE( LOGDEV,'( /5X, A )' ) TRIM( XMSG )\n WRITE( XMSG,'(A,I3,1X,I3)')'CGRID Indices: Mechanism and NML Values are ', &\n & CGRID_INDEX( I ),NML_INDEX( I1 )\n WRITE( LOGDEV,'( 5X, A )' )XMSG\n END IF\n IF(CONVERT_CONC( I ) .NEQV. NML_CONVERT( I1 ))THEN\n SUCCESS = .FALSE.\n XMSG = '*** For Species ' // TRIM( CHEMISTRY_SPC( I ) ) &\n & // ' species unit conversion flag does not match mechanism value.'\n WRITE( LOGDEV,'( /5X, A )' ) TRIM( XMSG )\n WRITE( XMSG,'(A,1X,L21X,L2)')'CONVERSION FLAGS: Mechanism and NML Values are ', &\n & CONVERT_CONC( I ),NML_CONVERT( I1 )\n WRITE( LOGDEV,'( 5X, A )' )XMSG\n WRITE( XMSG,'(A,1X,A3,1X,A3)')'SPECIES TYPE: Mechanism and NML Values are ', &\n & SPECIES_TYPE( I ),NML_TYPE( I1 )\n WRITE( LOGDEV,'( 5X, A )' )XMSG\n END IF\n DELTA = ( SPECIES_MOLWT( I ) - NML_MOLWT( I1 ) )/MAX(NML_MOLWT( I1 ),1.0E-20)\n IF( ABS( DELTA ) .GE. 0.05 )THEN\n IF( CONVERT_CONC( I ) )SUCCESS = .FALSE.\n XMSG = '*** For Species ' // TRIM( CHEMISTRY_SPC( I ) ) &\n & // ' species molecular weight does not match mechanism value.'\n WRITE( LOGDEV,'( /5X, A )' ) TRIM( XMSG )\n WRITE( XMSG,'(A,2(ES12.4,1X))')'Molecular Weight: Mechanism and NML Values are ', &\n & SPECIES_MOLWT( I ), NML_MOLWT( I1 )\n WRITE( LOGDEV,'( 5X, A )' )XMSG\n END IF\n END IF\n END IF\n IF( INDEX( CHEMISTRY_SPC( I ), 'SRF') .GT. 0 )THEN\n SUCCESS = .FALSE.\n XMSG = '*** reactions cannot use modal aerosol surface area as species'\n WRITE( LOGDEV,'( /5X, A )' ) TRIM( XMSG )\n XMSG = TRIM( CHEMISTRY_SPC( I ) )\n WRITE( LOGDEV,'( 2X, A )' ) TRIM( XMSG )\n END IF\n IF( INDEX( CHEMISTRY_SPC( I ), 'NUM') .GT. 0 )THEN\n SUCCESS = .FALSE.\n XMSG = '*** reactions cannot use modal aerosol number density as species'\n WRITE( LOGDEV,'( /5X, A )' ) TRIM( XMSG )\n XMSG = TRIM( CHEMISTRY_SPC( I ) )\n WRITE( LOGDEV,'( 2X, A )' ) TRIM( XMSG )\n END IF\n IF ( .NOT. FOUND ) THEN\n XMSG = 'Fatal error: Mechanism Species found not in species namelist:'\n WRITE( LOGDEV,'( /5X, A )', ADVANCE = 'NO' ) TRIM( XMSG )\n XMSG = TRIM( CHEMISTRY_SPC( I ) )\n WRITE( LOGDEV,'( 2X, A )' ) TRIM( XMSG )\n SUCCESS = .FALSE.\n END IF\n END DO\n\n IF( SUCCESS )RETURN\n\n WRITE(LOGDEV,99901)TRIM( MECHNAME )\n XMSG = 'The FATAL errors found in namelist used. Check ' &\n & // 'the log of exiting processor if more details are needed.'\n CALL M3WARN('MAP_CHEMISTRY_SPECIES',0,0,XMSG)\n\n\n99901 FORMAT( / 'FATAL error(s) found in the namelists used. Check that ' &\n & / 'these namelists contain the above data as the respective files ' &\n & / 'in the respository version of the mechanism: ' , A )\n\n RETURN\n\n END FUNCTION MAP_CHEMISTRY_SPECIES\n!----------------------------------------------------------------------------------------\n INTEGER FUNCTION INDEX1R ( NAME, N, NLIST )\n IMPLICIT NONE\n CHARACTER( * ) NAME ! character string being searched for\n INTEGER N ! length of array to be searched\n CHARACTER( * ) NLIST( : ) ! array to be searched\n\n INTEGER I\n\n DO I = 1, N\n IF ( NAME .EQ. NLIST( I ) ) THEN\n INDEX1R = I\n RETURN\n END IF\n END DO\n INDEX1R = 0\n RETURN\n\n END FUNCTION INDEX1R\n SUBROUTINE RESET_SPECIES_POINTERS( IOLD2NEW )\n\n USE RXNS_DATA\n IMPLICIT NONE\n INTEGER, INTENT( IN ) :: IOLD2NEW( :,: ) \n\n\n INDEX_NO2 = IOLD2NEW( INDEX_NO2 , 1 )\n INDEX_NO = IOLD2NEW( INDEX_NO , 1 )\n INDEX_O = IOLD2NEW( INDEX_O , 1 )\n INDEX_O3 = IOLD2NEW( INDEX_O3 , 1 )\n INDEX_NO3 = IOLD2NEW( INDEX_NO3 , 1 )\n INDEX_O1D = IOLD2NEW( INDEX_O1D , 1 )\n INDEX_OH = IOLD2NEW( INDEX_OH , 1 )\n INDEX_HO2 = IOLD2NEW( INDEX_HO2 , 1 )\n INDEX_H2O2 = IOLD2NEW( INDEX_H2O2 , 1 )\n INDEX_N2O5 = IOLD2NEW( INDEX_N2O5 , 1 )\n INDEX_HNO3 = IOLD2NEW( INDEX_HNO3 , 1 )\n INDEX_HONO = IOLD2NEW( INDEX_HONO , 1 )\n INDEX_PNA = IOLD2NEW( INDEX_PNA , 1 )\n INDEX_SO2 = IOLD2NEW( INDEX_SO2 , 1 )\n INDEX_SULF = IOLD2NEW( INDEX_SULF , 1 )\n INDEX_SULRXN = IOLD2NEW( INDEX_SULRXN , 1 )\n INDEX_C2O3 = IOLD2NEW( INDEX_C2O3 , 1 )\n INDEX_MEO2 = IOLD2NEW( INDEX_MEO2 , 1 )\n INDEX_RO2 = IOLD2NEW( INDEX_RO2 , 1 )\n INDEX_PAN = IOLD2NEW( INDEX_PAN , 1 )\n INDEX_PACD = IOLD2NEW( INDEX_PACD , 1 )\n INDEX_AACD = IOLD2NEW( INDEX_AACD , 1 )\n INDEX_CXO3 = IOLD2NEW( INDEX_CXO3 , 1 )\n INDEX_ALD2 = IOLD2NEW( INDEX_ALD2 , 1 )\n INDEX_XO2H = IOLD2NEW( INDEX_XO2H , 1 )\n INDEX_PANX = IOLD2NEW( INDEX_PANX , 1 )\n INDEX_FORM = IOLD2NEW( INDEX_FORM , 1 )\n INDEX_MEPX = IOLD2NEW( INDEX_MEPX , 1 )\n INDEX_MEOH = IOLD2NEW( INDEX_MEOH , 1 )\n INDEX_ROOH = IOLD2NEW( INDEX_ROOH , 1 )\n INDEX_XO2 = IOLD2NEW( INDEX_XO2 , 1 )\n INDEX_XO2N = IOLD2NEW( INDEX_XO2N , 1 )\n INDEX_NTR1 = IOLD2NEW( INDEX_NTR1 , 1 )\n INDEX_NTR2 = IOLD2NEW( INDEX_NTR2 , 1 )\n INDEX_FACD = IOLD2NEW( INDEX_FACD , 1 )\n INDEX_CO = IOLD2NEW( INDEX_CO , 1 )\n INDEX_HCO3 = IOLD2NEW( INDEX_HCO3 , 1 )\n INDEX_ALDX = IOLD2NEW( INDEX_ALDX , 1 )\n INDEX_GLYD = IOLD2NEW( INDEX_GLYD , 1 )\n INDEX_GLY = IOLD2NEW( INDEX_GLY , 1 )\n INDEX_MGLY = IOLD2NEW( INDEX_MGLY , 1 )\n INDEX_ETHA = IOLD2NEW( INDEX_ETHA , 1 )\n INDEX_ETOH = IOLD2NEW( INDEX_ETOH , 1 )\n INDEX_KET = IOLD2NEW( INDEX_KET , 1 )\n INDEX_PAR = IOLD2NEW( INDEX_PAR , 1 )\n INDEX_ACET = IOLD2NEW( INDEX_ACET , 1 )\n INDEX_PRPA = IOLD2NEW( INDEX_PRPA , 1 )\n INDEX_XPRP = IOLD2NEW( INDEX_XPRP , 1 )\n INDEX_XPAR = IOLD2NEW( INDEX_XPAR , 1 )\n INDEX_ROR = IOLD2NEW( INDEX_ROR , 1 )\n INDEX_ETHY = IOLD2NEW( INDEX_ETHY , 1 )\n INDEX_ETH = IOLD2NEW( INDEX_ETH , 1 )\n INDEX_OLE = IOLD2NEW( INDEX_OLE , 1 )\n INDEX_IOLE = IOLD2NEW( INDEX_IOLE , 1 )\n INDEX_ISOP = IOLD2NEW( INDEX_ISOP , 1 )\n INDEX_ISO2 = IOLD2NEW( INDEX_ISO2 , 1 )\n INDEX_ISOPRXN = IOLD2NEW( INDEX_ISOPRXN , 1 )\n INDEX_ISPD = IOLD2NEW( INDEX_ISPD , 1 )\n INDEX_INTR = IOLD2NEW( INDEX_INTR , 1 )\n INDEX_ISPX = IOLD2NEW( INDEX_ISPX , 1 )\n INDEX_HPLD = IOLD2NEW( INDEX_HPLD , 1 )\n INDEX_OPO3 = IOLD2NEW( INDEX_OPO3 , 1 )\n INDEX_EPOX = IOLD2NEW( INDEX_EPOX , 1 )\n INDEX_EPX2 = IOLD2NEW( INDEX_EPX2 , 1 )\n INDEX_TERP = IOLD2NEW( INDEX_TERP , 1 )\n INDEX_TRPRXN = IOLD2NEW( INDEX_TRPRXN , 1 )\n INDEX_TERPNRO2 = IOLD2NEW( INDEX_TERPNRO2 , 1 )\n INDEX_APIN = IOLD2NEW( INDEX_APIN , 1 )\n INDEX_BENZENE = IOLD2NEW( INDEX_BENZENE , 1 )\n INDEX_CRES = IOLD2NEW( INDEX_CRES , 1 )\n INDEX_BZO2 = IOLD2NEW( INDEX_BZO2 , 1 )\n INDEX_OPEN = IOLD2NEW( INDEX_OPEN , 1 )\n INDEX_BENZRO2 = IOLD2NEW( INDEX_BENZRO2 , 1 )\n INDEX_TOL = IOLD2NEW( INDEX_TOL , 1 )\n INDEX_TO2 = IOLD2NEW( INDEX_TO2 , 1 )\n INDEX_TOLRO2 = IOLD2NEW( INDEX_TOLRO2 , 1 )\n INDEX_XOPN = IOLD2NEW( INDEX_XOPN , 1 )\n INDEX_XYLMN = IOLD2NEW( INDEX_XYLMN , 1 )\n INDEX_XLO2 = IOLD2NEW( INDEX_XLO2 , 1 )\n INDEX_XYLRO2 = IOLD2NEW( INDEX_XYLRO2 , 1 )\n INDEX_NAPH = IOLD2NEW( INDEX_NAPH , 1 )\n INDEX_PAHRO2 = IOLD2NEW( INDEX_PAHRO2 , 1 )\n INDEX_CRO = IOLD2NEW( INDEX_CRO , 1 )\n INDEX_CAT1 = IOLD2NEW( INDEX_CAT1 , 1 )\n INDEX_CRON = IOLD2NEW( INDEX_CRON , 1 )\n INDEX_OPAN = IOLD2NEW( INDEX_OPAN , 1 )\n INDEX_ECH4 = IOLD2NEW( INDEX_ECH4 , 1 )\n INDEX_CL2 = IOLD2NEW( INDEX_CL2 , 1 )\n INDEX_CL = IOLD2NEW( INDEX_CL , 1 )\n INDEX_HOCL = IOLD2NEW( INDEX_HOCL , 1 )\n INDEX_CLO = IOLD2NEW( INDEX_CLO , 1 )\n INDEX_FMCL = IOLD2NEW( INDEX_FMCL , 1 )\n INDEX_HCL = IOLD2NEW( INDEX_HCL , 1 )\n INDEX_CLNO2 = IOLD2NEW( INDEX_CLNO2 , 1 )\n INDEX_CLNO3 = IOLD2NEW( INDEX_CLNO3 , 1 )\n INDEX_SVAVB2 = IOLD2NEW( INDEX_SVAVB2 , 1 )\n INDEX_SVAVB3 = IOLD2NEW( INDEX_SVAVB3 , 1 )\n INDEX_SVAVB4 = IOLD2NEW( INDEX_SVAVB4 , 1 )\n INDEX_SVAVB1 = IOLD2NEW( INDEX_SVAVB1 , 1 )\n INDEX_SESQ = IOLD2NEW( INDEX_SESQ , 1 )\n INDEX_SESQRXN = IOLD2NEW( INDEX_SESQRXN , 1 )\n INDEX_SOAALK = IOLD2NEW( INDEX_SOAALK , 1 )\n INDEX_H2NO3PIJ = IOLD2NEW( INDEX_H2NO3PIJ , 1 )\n INDEX_H2NO3PK = IOLD2NEW( INDEX_H2NO3PK , 1 )\n INDEX_ACLI = IOLD2NEW( INDEX_ACLI , 1 )\n INDEX_ACLJ = IOLD2NEW( INDEX_ACLJ , 1 )\n INDEX_ACLK = IOLD2NEW( INDEX_ACLK , 1 )\n INDEX_IEPOXP = IOLD2NEW( INDEX_IEPOXP , 1 )\n INDEX_ASO4J = IOLD2NEW( INDEX_ASO4J , 1 )\n INDEX_AISO3J = IOLD2NEW( INDEX_AISO3J , 1 )\n INDEX_AGLYJ = IOLD2NEW( INDEX_AGLYJ , 1 )\n INDEX_MTNO3 = IOLD2NEW( INDEX_MTNO3 , 1 )\n INDEX_AMTNO3J = IOLD2NEW( INDEX_AMTNO3J , 1 )\n INDEX_AMTHYDJ = IOLD2NEW( INDEX_AMTHYDJ , 1 )\n INDEX_AAVB2J = IOLD2NEW( INDEX_AAVB2J , 1 )\n INDEX_AOLGAJ = IOLD2NEW( INDEX_AOLGAJ , 1 )\n INDEX_AAVB3J = IOLD2NEW( INDEX_AAVB3J , 1 )\n INDEX_AAVB4J = IOLD2NEW( INDEX_AAVB4J , 1 )\n INDEX_AISO1J = IOLD2NEW( INDEX_AISO1J , 1 )\n INDEX_AOLGBJ = IOLD2NEW( INDEX_AOLGBJ , 1 )\n INDEX_AISO2J = IOLD2NEW( INDEX_AISO2J , 1 )\n INDEX_ASQTJ = IOLD2NEW( INDEX_ASQTJ , 1 )\n INDEX_APOCI = IOLD2NEW( INDEX_APOCI , 1 )\n INDEX_APNCOMI = IOLD2NEW( INDEX_APNCOMI , 1 )\n INDEX_APOCJ = IOLD2NEW( INDEX_APOCJ , 1 )\n INDEX_APNCOMJ = IOLD2NEW( INDEX_APNCOMJ , 1 )\n INDEX_PCVOC = IOLD2NEW( INDEX_PCVOC , 1 )\n INDEX_PCSOARXN = IOLD2NEW( INDEX_PCSOARXN , 1 )\n INDEX_VLVPO1 = IOLD2NEW( INDEX_VLVPO1 , 1 )\n INDEX_VSVPO1 = IOLD2NEW( INDEX_VSVPO1 , 1 )\n INDEX_VSVPO2 = IOLD2NEW( INDEX_VSVPO2 , 1 )\n INDEX_VSVPO3 = IOLD2NEW( INDEX_VSVPO3 , 1 )\n INDEX_VIVPO1 = IOLD2NEW( INDEX_VIVPO1 , 1 )\n INDEX_VLVOO1 = IOLD2NEW( INDEX_VLVOO1 , 1 )\n INDEX_VLVOO2 = IOLD2NEW( INDEX_VLVOO2 , 1 )\n INDEX_VSVOO2 = IOLD2NEW( INDEX_VSVOO2 , 1 )\n INDEX_VSVOO3 = IOLD2NEW( INDEX_VSVOO3 , 1 )\n INDEX_VSVOO1 = IOLD2NEW( INDEX_VSVOO1 , 1 )\n INDEX_FORM_PRIMARY = IOLD2NEW( INDEX_FORM_PRIMARY, 1 )\n INDEX_ALD2_PRIMARY = IOLD2NEW( INDEX_ALD2_PRIMARY, 1 )\n INDEX_BUTADIENE13 = IOLD2NEW( INDEX_BUTADIENE13 , 1 )\n INDEX_ACROLEIN = IOLD2NEW( INDEX_ACROLEIN , 1 )\n INDEX_ACRO_PRIMARY = IOLD2NEW( INDEX_ACRO_PRIMARY, 1 )\n INDEX_TOLU = IOLD2NEW( INDEX_TOLU , 1 )\n INDEX_HG = IOLD2NEW( INDEX_HG , 1 )\n INDEX_HGIIAER = IOLD2NEW( INDEX_HGIIAER , 1 )\n INDEX_HGIIGAS = IOLD2NEW( INDEX_HGIIGAS , 1 )\n END SUBROUTINE RESET_SPECIES_POINTERS\n END MODULE RXNS_FUNCTION\n" }, { "path": "CCTM/src/MECHS/cb6r3_ae7_aq/SpecDef_Conc_cb6r3_ae7_aq.txt", "content": "!#start YYYYJJJ 010000\n!#end YYYYJJJ 000000\n#layer 1\n\n/\n! This Species Definition File is for Use with the COMBINE tool built for \n! post-processing CMAQ output. It is compatible with CMAQv5.4.\n! Date: May 12 2017\n\n! Output variables that begin with 'PM' represent those in which a size cut was \n! applied based on modeled aerosol mode parameters. For example, PM25_NA is all \n! sodium that falls below 2.5 um diameter. These 'PM' variables are used for \n! comparisons at IMPROVE and CSN sites.\n\n! Output variables that begin with 'PMAMS' represent the mass that would have\n! been detected by an Aerosol Mass Spectrometer.\n\n! Output variables beginning with 'A' (aside from AIR_DENS) represent a \n! combination of aerosol species in which no size cut was applied. For example, \n! ASO4IJ is the sum of i-mode and j-mode sulfate. These 'A' variables are used \n! for comparisons at CASTNet sites.\n\n! Output variables beginning with 'PMC' refer to the coarse fraction of total PM,\n! computed by summing all modes and subtracting the PM2.5 fraction. These 'PMC'\n! variables are used for comparisons at SEARCH sites.\n\n! This Species Definition File is just for use with the uncoupled, offline CMAQ,\n! model. If you are processing WRF-CMAQ results, a different Species Definition\n! file is required.\n\n/ File [1]: CMAQ conc/aconc file\n/ File [2]: METCRO3D file\n/ File [3]: ELMO/AELMO file\n/ File [4]: METCRO2D file\n/\n/new species ,units ,expression\n \n!-------------------------------------------!\n!------------- Meteorology -----------------!\n!-------------------------------------------!\nAIR_DENS ,kg m-3 ,DENS[2]\nRH ,% ,100.00*RH[3]\nSFC_TMP ,C ,(TEMP2[4]-273.15)\nPBLH ,m ,PBL[4]\nSOL_RAD ,W m-2 ,RGRND[4]\nprecip ,cm ,RC[4]>=0 ? RN[4]+RC[4] : RN[4]\nWSPD10 ,m s-1 ,WSPD10[4]\nWDIR10 ,deg ,WDIR10[4]\n\n!-------------------------------------------!\n!--------------- Gases ---------------------!\n!-------------------------------------------!\nALD2 ,ppbV ,1000.0*ALD2[1]\nBENZENE ,ppbV ,1000.0*BENZENE[1]\nCO ,ppbV ,1000.0*CO[1]\nETH ,ppbV ,1000.0*ETH[1]\nETHA ,ppbV ,1000.0*ETHA[1]\nFORM ,ppbV ,1000.0*FORM[1]\nH2O2 ,ppbV ,1000.0*H2O2[1]\nHNO3 ,ppbV ,1000.0*HNO3[1]\nHNO3_UGM3 ,ug m-3 ,1000.0*(HNO3[1]*2.1756*DENS[2])\nHONO ,ppbV ,1000.0*HONO[1]\nHOX ,ppbV ,1000.0*(OH[1]+HO2[1])\nOH ,ppbV ,1000.0*(OH[1])\nISOP ,ppbV ,1000.0*ISOP[1]\nN2O5 ,ppbV ,1000.0*N2O5[1]\nNH3 ,ppbV ,1000.0*NH3[1]\nNH3_UGM3 ,ug m-3 ,1000.0*(NH3[1]*0.5880*DENS[2])\nNHX ,ug m-3 ,1000.0*(NH3[1]*0.5880*DENS[2])+ANH4I[1]+ANH4J[1]+ANH4K[1]\nNO ,ppbV ,1000.0*NO[1]\nNO2 ,ppbV ,1000.0*NO2[1]\nNOX ,ppbV ,1000.0*(NO[1] + NO2[1])\nANO3_PPB ,ppbV ,(ANO3I[1]+ANO3J[1]+ANO3K[1])/(DENS[2]*(62.0/28.97))\nNTR ,ppbV ,1000.0*(NTR1[1]+NTR2[1]+INTR[1])\nPANS ,ppbV ,1000.0*(PAN[1]+PANX[1]+OPAN[1])\nNOY ,ppbV ,1000.0* (NO[1]+NO2[1]+NO3[1]+2*N2O5[1]+HONO[1]+HNO3[1]+PNA[1] \\\n +CRON[1]+CLNO2[1]+CLNO3[1]) \\\n +PANS[0]+NTR[0]+ANO3_PPB[0]\nO3 ,ppbV ,1000.0*O3[1]\nSO2 ,ppbV ,1000.0*SO2[1]\nSO2_UGM3 ,ug m-3 ,1000.0*(SO2[1]*2.2118*DENS[2])\nTERP ,ppbV ,1000.0*TERP[1]\nTOL ,ppbV ,1000.0*TOL[1]\nXYL ,ppbV ,1000.0*XYLMN[1]\n\n!Additional Toxic gases\n!ACROLEIN ,ug m-3 ,1000.0*(ACROLEIN[1]*1.9365*DENS[2])\n!ACRO_PRIMARY ,ug m-3 ,1000.0*(ACRO_PRIMARY*1.9365*DENS[2])\n!ALD2_PRIMARY ,ug m-3 ,1000.0*(ALD2_PRIMARY[1]*1.5188*DENS[2])\n!FORM_PRIMARY ,ug m-3 ,1000.0*(FORM_PRIMARY[1]*1.0356*DENS[2])\n!BUTADIENE13 ,ug m-3 ,1000.0*(BUTADIENE13[1]*1.8674*DENS[2])\n!HCL ,ppbV ,1000.0*HCL[1]\n!TOLUENE ,ppbV ,1000.0*TOLU[1]\n\n!Mercuric gas species\n!HG_0 ,ng/m3 ,1000.0*(HG[1]*8.3330*DENS[2]*1000.0) \n!HG_II ,ng/m3 ,1000.0*(HGIIGAS[1]*8.3330*DENS[2]*1000.0) \n\n!! Unused Gases. Presented Here for illustration. Users can uncomment\n!! them if they choose.\n!ALDX ,ppbV ,1000.0*ALDX[1]\n!IOLE ,ppbV ,1000.0*IOLE[1]\n!OLE ,ppbV ,1000.0*OLE[1]\n!PAR ,ppbV ,1000.0*PAR[1]\n!PAN ,ppbV ,1000.0*PAN[1]\n!SULF ,ppbV ,1000.0*SULF[1]\n! emitted VOCs\n!VOC ,ppbC ,1000.0* (PAR[1] +2.0*ETHA[1] +3.0*PRPA[1] +MEOH[1]\\\n! +2.0*ETH[1] +2.0*ETOH[1] +2.0*OLE[1] +3.0*ACET[1] \\\n! +7.0*TOL[1] +8.0*XYLMN[1] +6.0*BENZENE[1] \\\n! +FORM[1] +3.0*GLY[1] +4.0*KET[1] +2.0*ETHY[1] \\\n! +2.0*ALD2[1] + 4.0*IOLE[1] + 2.0*ALDX[1] \\\n! +5.0*ISOP[1] + 10.0*TERP[1]+ 10.0*NAPH[1] +10.*APIN[1])\n\n!-------------------------------------------!\n!--------------- Particles -----------------!\n!-------------------------------------------!\n!! Crustal Elements\nAFEJ ,ug m-3 ,AFEJ[1]\nAALJ ,ug m-3 ,AALJ[1]\nASIJ ,ug m-3 ,ASIJ[1]\nATIJ ,ug m-3 ,ATIJ[1]\nACAJ ,ug m-3 ,ACAJ[1]\nAMGJ ,ug m-3 ,AMGJ[1]\nAKJ ,ug m-3 ,AKJ[1]\nAMNJ ,ug m-3 ,AMNJ[1]\nASOILJ ,ug m-3 ,2.20*AALJ[1]+2.49*ASIJ[1]+1.63*ACAJ[1]+2.42*AFEJ[1]+1.94*ATIJ[1]\n\n!! Non-Crustal Inorganic Particle Species\nAHPLUSIJ ,umol m-3 ,(AH3OPI[1]+AH3OPJ[1])*1.0/19.0\nANAK ,ug m-3 ,0.8373*ASEACAT[1]+0.0626*ASOIL[1]+0.0023*ACORS[1]\nAMGK ,ug m-3 ,0.0997*ASEACAT[1]+0.0170*ASOIL[1]+0.0032*ACORS[1]\nAKK ,ug m-3 ,0.0310*ASEACAT[1]+0.0242*ASOIL[1]+0.0176*ACORS[1]\nACAK ,ug m-3 ,0.0320*ASEACAT[1]+0.0838*ASOIL[1]+0.0562*ACORS[1]\nACLIJ ,ug m-3 ,ACLI[1]+ACLJ[1]\nAECIJ ,ug m-3 ,AECI[1]+AECJ[1]\nANAIJ ,ug m-3 ,ANAJ[1]+ANAI[1]\nANO3IJ ,ug m-3 ,ANO3I[1]+ANO3J[1]\nANO3K ,ug m-3 ,ANO3K[1]\nTNO3 ,ug m-3 ,2175.6*(HNO3[1]*DENS[2])+ANO3I[1]+ANO3J[1]+ANO3K[1]\nANH4IJ ,ug m-3 ,ANH4I[1]+ANH4J[1]\nANH4K ,ug m-3 ,ANH4K[1]\nASO4IJ ,ug m-3 ,ASO4I[1]+ASO4J[1]\nASO4K ,ug m-3 ,ASO4K[1]\n\n!! Organic Particle Species\nAPOCI ,ugC m-3 ,ALVPO1I[1]/1.39 + ASVPO1I[1]/1.32 + ASVPO2I[1]/1.26 \\\n +APOCI[1]\nAPOCJ ,ugC m-3 ,ALVPO1J[1]/1.39 + ASVPO1J[1]/1.32 + ASVPO2J[1]/1.26 \\\n +ASVPO3J[1]/1.21 + AIVPO1J[1]/1.17 + APOCJ[1]\nAPOCIJ ,ugC m-3 ,APOCI[0] + APOCJ[0]\n\nAPOMI ,ug m-3 ,ALVPO1I[1] + ASVPO1I[1] + ASVPO2I[1] + APOCI[1] \\\n +APNCOMI[1]\nAPOMJ ,ug m-3 ,ALVPO1J[1] + ASVPO1J[1] + ASVPO2J[1] + APOCJ[1] \\\n +ASVPO3J[1] + AIVPO1J[1] + APNCOMJ[1]\nAPOMIJ ,ug m-3 ,APOMI[0] + APOMJ[0]\n\nASOCI ,ugC m-3 ,ALVOO1I[1]/2.27 + ALVOO2I[1]/2.06 \\\n +ASVOO1I[1]/1.88 + ASVOO2I[1]/1.73\nASOCJ ,ugC m-3 ,AISO1J[1]/2.20 + AISO2J[1]/2.23 + AISO3J[1]/2.80 \\\n +AMT1J[1]/1.67 + AMT2J[1]/1.67 + AMT3J[1]/1.72 \\\n +AMT4J[1]/1.53 + AMT5J[1]/1.57 + AMT6J[1]/1.40 \\\n +AMTNO3J[1]/1.90 + AMTHYDJ[1]/1.54 \\\n +AGLYJ[1]/2.13 + ASQTJ[1]/1.52 \\\n +AORGCJ[1]/2.00 + AOLGBJ[1]/2.10 + AOLGAJ[1]/2.50 \\\n +ALVOO1J[1]/2.27 + ALVOO2J[1]/2.06 + ASVOO1J[1]/1.88 \\\n +ASVOO2J[1]/1.73 + ASVOO3J[1]/1.60 \\\n +AAVB1J[1]/2.70 + AAVB2J[1]/2.35 + AAVB3J[1]/2.17 \\\n +AAVB4J[1]/1.99 + APCSOJ[1]/2.00\nASOCIJ ,ugC m-3 ,ASOCI[0] + ASOCJ[0]\n\nASOMI ,ug m-3 ,ALVOO1I[1] + ALVOO2I[1] + ASVOO1I[1] + ASVOO2I[1] \nASOMJ ,ug m-3 ,+AISO1J[1]+ AISO2J[1] + AISO3J[1] \\\n +AMT1J[1] + AMT2J[1] + AMT3J[1] \\\n +AMT4J[1] + AMT5J[1] + AMT6J[1] \\\n +AMTNO3J[1] + AMTHYDJ[1] \\\n +AGLYJ[1] + ASQTJ[1] \\\n +AORGCJ[1] + AOLGBJ[1] + AOLGAJ[1] \\\n +ALVOO1J[1] + ALVOO2J[1] + ASVOO1J[1] \\\n +ASVOO2J[1] + ASVOO3J[1] + APCSOJ[1] \\\n +AAVB1J[1] + AAVB2J[1] + AAVB3J[1] \\\n +AAVB4J[1]\nASOMIJ ,ug m-3 ,ASOMI[0] + ASOMJ[0]\n \nAOCI ,ugC m-3 ,APOCI[0] + ASOCI[0]\nAOCJ ,ugC m-3 ,APOCJ[0] + ASOCJ[0]\n\nAOCIJ ,ugC m-3 ,APOCIJ[0] + ASOCIJ[0]\n\n\nAOMI ,ug m-3 ,APOMI[0] + ASOMI[0]\nAOMJ ,ug m-3 ,APOMJ[0] + ASOMJ[0]\n\nAOMIJ ,ug m-3 ,APOMIJ[0] + ASOMIJ[0]\n\n!!! Anthropogenic-VOC Derived Organic Aerosol\nAORGAI ,ug m-3 ,ALVOO1I[1] + ALVOO2I[1] + ASVOO1I[1] \\ \n +ASVOO2I[1]\nAORGAJ ,ug m-3 ,ALVOO1J[1] + ALVOO2J[1] \\\n +ASVOO1J[1] + ASVOO2J[1] + ASVOO3J[1] \\\n +AAVB1J[1] + AAVB2J[1] + AAVB3J[1] \\\n +AAVB4J[1] + AOLGAJ[1] + APCSOJ[1] \nAORGAIJ ,ug m-3 ,AORGAI[0] + AORGAJ[0] \n\n!!! Biogenic-VOC Derived Organic Aerosol\nAORGBIJ ,ug m-3 ,AMT1J[1] + AMT2J[1] + AMT3J[1] + AMT4J[1] \\\n +AMT5J[1] + AMT6J[1] + AMTNO3J[1] \\\n +AMTHYDJ[1] + AISO1J[1] + AISO2J[1] \\\n +AISO3J[1] + ASQTJ[1] + AOLGBJ[1] \n\n!!! Cloud-Processed SOA\nAORGCJ ,ug m-3 ,AORGCJ[1]\n!!! Remaining SOA\nAGLYJ ,ug m-3 ,AGLYJ[1]\n\n!!! OM/OC ratios\nAOMOCRAT_TOT , ,AOMIJ[0]/AOCIJ[0]\n\n!! Total PM Aggregates\nATOTI ,ug m-3 ,ASO4I[1] + ANH4I[1] + ANO3I[1] + ANAI[1] \\\n +ACLI[1] + AECI[1] + AOMI[0] + AOTHRI[1] \nATOTJ ,ug m-3 ,ASO4J[1] + ANH4J[1] + ANO3J[1] + ANAJ[1] \\\n +ACLJ[1] + AECJ[1] + AOMJ[0] + AOTHRJ[1] \\\n +AFEJ[1] + AALJ[1] + ASIJ[1] + ATIJ[1] \\\n +ACAJ[1] + AMGJ[1] + AKJ[1] + AMNJ[1] \n \nATOTK ,ug m-3 ,ASO4K[1] + ANH4K[1] + ANO3K[1] + ACLK[1] \\\n +ACORS[1] + ASOIL[1] + ASEACAT[1] \nATOTIJ ,ug m-3 ,ATOTI[0] + ATOTJ[0] \nATOTIJK ,ug m-3 ,ATOTI[0] + ATOTJ[0] + ATOTK[0]\n\n!! Unspeciated PM including non-carbon organic mass\nAUNSPEC1IJ ,ug m-3 ,ATOTIJ[0] - (ASO4IJ[0] + ANO3IJ[0] \\\n +ANH4IJ[0] + ACLIJ[0] \\\n +ANAIJ[0] + AECIJ[0] \\\n +AOCIJ[0] + ASOILJ[0]) \n!! Non-Carbon Organic Mass\nANCOMIJ ,ug m-3 ,AOMIJ[0] - AOCIJ[0]\n\n!! Unspeciated PM excluding non-carbon organic mass\nAUNSPEC2IJ ,ug m-3 ,AUNSPEC1IJ[0] - ANCOMIJ[0]\n\n!! AMS Projection of Output Concentrations\nPMAMS_CL ,ug m-3 ,ACLI[1] *FAMSAIT[3] +ACLJ[1]*FAMSACC[3]+ACLK[1] *FAMSCOR[3]\nPMAMS_NH4 ,ug m-3 ,ANH4I[1]*FAMSAIT[3]+ANH4J[1]*FAMSACC[3]+ANH4K[1]*FAMSCOR[3]\nPMAMS_NO3 ,ug m-3 ,ANO3I[1]*FAMSAIT[3]+ANO3J[1]*FAMSACC[3]+ANO3K[1]*FAMSCOR[3]\nPMAMS_OA ,ug m-3 ,AOMI[0] *FAMSAIT[3]+AOMJ[0] *FAMSACC[3]\nPMAMS_SO4 ,ug m-3 ,ASO4I[1]*FAMSAIT[3]+ASO4J[1]*FAMSACC[3]+ASO4K[1]*FAMSCOR[3]\n\n!! PM1 Cutoff Output\nPM1_TOT ,ug m-3 ,ATOTI[0]*FPM1AIT[3]+ATOTJ[0]*FPM1ACC[3]+ATOTK[0]*FPM1COR[3]\n\n!! Unused PM1 Species. Included Here for demonstration\n!PM1_EC ,ug m-3 ,AECI[1] *FPM1AIT[3] +AECJ[1] *FPM1ACC[3]\n!PM1_OC ,ugC m-3 ,AOCI[0] *FPM1AIT[3] +AOCJ[0] *FPM1ACC[3]\n!PM1_OM ,ug m-3 ,AOMI[0] *FPM1AIT[3] +AOMJ[0] *FPM1ACC[3]\n!PM1_SO4 ,ug m-3 ,ASO4I[1]*FPM1AIT[3] +ASO4J[1]*FPM1ACC[3] +ASO4K[1]*FPM1COR[3]\n!PM1_CL ,ug m-3 ,ACLI[1] *FPM1AIT[3] +ACLJ[1] *FPM1ACC[3] +ACLK[1] *FPM1COR[3]\n!PM1_NA ,ug m-3 ,ANAI[1] *FPM1AIT[3] +ANAJ[1] *FPM1ACC[3] +ANAK[0] *FPM1COR[3]\n!PM1_MG ,ug m-3 , AMGJ[1] *FPM1ACC[3] +AMGK[0] *FPM1COR[3]\n!PM1_K ,ug m-3 , AKJ[1] *FPM1ACC[3] +AKK[0] *FPM1COR[3]\n!PM1_CA ,ug m-3 , ACAJ[1] *FPM1ACC[3] +ACAK[0] *FPM1COR[3]\n!PM1_NH4 ,ug m-3 ,ANH4I[1] *FPM1AIT[3]+ANH4J[1]*FPM1ACC[3] +ANH4K[1]*FPM1COR[3]\n!PM1_NO3 ,ug m-3 ,ANO3I[1] *FPM1AIT[3]+ANO3J[1]*FPM1ACC[3] +ANO3K[1]*FPM1COR[3] \n!PM1_SOIL ,ug m-3 ,ASOILJ[0]*FPM1ACC[3]+(ASOIL[1]+ACORS[1])*FPM1COR[3]\n!PM1_UNSPEC1 ,ug m-3 ,PM1_TOT[0] - (PM1_CL[0] + PM1_EC[0]+ PM1_NA[0] + PM1_NH4[0] + \\\n! PM1_NO3[0]+ PM1_OC[0]+ PM1_SOIL[0]+ PM1_SO4[0] ) \n!PM1_UNSPCRS ,ug m-3 ,ATOTK[0] *FPM1COR[3] - (ASO4K[1]*FPM1COR[3] \\\n! +ACLK[1]*FPM1COR[3] \\\n! +ANAK[0]*FPM1COR[3] \\\n! +AMGK[0]*FPM1COR[3] \\\n! +AKK[0]*FPM1COR[3] \\\n! +ACAK[0]*FPM1COR[3] \\\n! +ANH4K[1]*FPM1COR[3] \\\n! +ANO3K[1]*FPM1COR[3]) \n \n!! PM2.5 species computed using modeled size distribution\nPM25_HP ,ug m-3 ,(AH3OPI[1]*FPM25AIT[3]+AH3OPJ[1]*FPM25ACC[3]+AH3OPK[1]*FPM25COR[3])*1.0/19.0\nPM25_CL ,ug m-3 ,ACLI[1]*FPM25AIT[3]+ACLJ[1]*FPM25ACC[3]+ACLK[1]*FPM25COR[3]\nPM25_EC ,ug m-3 ,AECI[1]*FPM25AIT[3]+AECJ[1]*FPM25ACC[3]\nPM25_NA ,ug m-3 ,ANAI[1]*FPM25AIT[3]+ANAJ[1]*FPM25ACC[3]+ANAK[0]*FPM25COR[3]\nPM25_MG ,ug m-3 , AMGJ[1]*FPM25ACC[3]+AMGK[0]*FPM25COR[3]\nPM25_K ,ug m-3 , AKJ[1] *FPM25ACC[3]+AKK[0] *FPM25COR[3]\nPM25_CA ,ug m-3 , ACAJ[1]*FPM25ACC[3]+ACAK[0]*FPM25COR[3]\nPM25_NH4 ,ug m-3 ,ANH4I[1]*FPM25AIT[3]+ANH4J[1]*FPM25ACC[3]+ANH4K[1]*FPM25COR[3]\nPM25_NO3 ,ug m-3 ,ANO3I[1]*FPM25AIT[3]+ANO3J[1]*FPM25ACC[3]+ANO3K[1]*FPM25COR[3]\nPM25_OC ,ugC m-3 ,AOCI[0] *FPM25AIT[3]+AOCJ[0]*FPM25ACC[3]\nPM25_OM ,ug m-3 ,AOMI[0] *FPM25AIT[3]+AOMJ[0]*FPM25ACC[3]\nPM25_SOIL ,ug m-3 ,ASOILJ[0]*FPM25ACC[3]+ASOIL[1]*FPM25COR[3]\nPM25_SO4 ,ug m-3 ,ASO4I[1]*FPM25AIT[3]+ASO4J[1]*FPM25ACC[3]+ASO4K[1]*FPM25COR[3]\nPM25_TOT ,ug m-3 ,ATOTI[0]*FPM25AIT[3]+ATOTJ[0]*FPM25ACC[3]+ATOTK[0]*FPM25COR[3]\nPM25_UNSPEC1 ,ug m-3 ,PM25_TOT[0]-(PM25_CL[0]+PM25_EC[0]+PM25_NA[0]+PM25_NH4[0] \\\n +PM25_NO3[0]+PM25_OC[0]+PM25_SOIL[0]+PM25_SO4[0])\nPM25_UNSPCRS ,ug m-3 ,ATOTK[0]*FPM25COR[3] - (ASO4K[1]*FPM25COR[3] \\\n +ACLK[1]*FPM25COR[3] \\\n +ANAK[0]*FPM25COR[3] \\\n +AMGK[0]*FPM25COR[3] \\\n +AKK[0]*FPM25COR[3] \\\n +ACAK[0]*FPM25COR[3] \\\n +ANH4K[1]*FPM25COR[3] \\\n +ANO3K[1]*FPM25COR[3]) \n\n\n!! Fine particle acidity (pH). pH is undefined if there is no aerosol water. \n!Do not trust predictions when hourly water is <0.01 ug m-3. FINEPHF will \n!have large negative value (-9.999E36) when pH is not to be trusted.\n!AH2OIJ ,ug m-3 ,AH2OI[1]+AH2OJ[1]\n!HPMOLAL ,mol kg-1 ,AHPLUSIJ[0]/AH2OIJ[0]*1000.0\n!ACIDITYTEMP , ,-1*LOG10(HPMOLAL[0])\n!FINEPHF , ,AH2OIJ[0]>0.01 ? ACIDITYTEMP[0] : -9.999E36\n\n!! PM10.0 and Coarse-Sized Species\nPM10 ,ug m-3 ,ATOTI[0]*FPM10AIT[3]+ATOTJ[0]*FPM10ACC[3]+ATOTK[0]*FPM10COR[3]\n\nPMC_CL ,ug m-3 ,ACLI[1]*FPM10AIT[3] +ACLJ[1]*FPM10ACC[3] +ACLK[1]*FPM10COR[3] -PM25_CL[0]\nPMC_NA ,ug m-3 ,ANAI[1]*FPM10AIT[3] +ANAJ[1]*FPM10ACC[3] +ANAK[0]*FPM10COR[3] -PM25_NA[0]\nPMC_NH4 ,ug m-3 ,ANH4I[1]*FPM10AIT[3]+ANH4J[1]*FPM10ACC[3]+ANH4K[1]*FPM10COR[3]-PM25_NH4[0]\nPMC_NO3 ,ug m-3 ,ANO3I[1]*FPM10AIT[3]+ANO3J[1]*FPM10ACC[3]+ANO3K[1]*FPM10COR[3]-PM25_NO3[0]\nPMC_SO4 ,ug m-3 ,ASO4I[1]*FPM10AIT[3]+ASO4J[1]*FPM10ACC[3]+ASO4K[1]*FPM10COR[3]-PM25_SO4[0]\nPMC_TOT ,ug m-3 ,PM10[0]-PM25_TOT[0]\n\n!! FRM PM Equivalent Calculation\n!! This section calculates the FRM applicable PM species, PMIJ_FRM and\n!! PM25_FRM. The intermediate variablse K...ANH4IJ_loss are needed to \n!! calculate the final quantities.\nK ,ppb2 ,exp(118.87-24084/TEMP2[4]-6.025*log(TEMP2[4]))\nP1 , ,exp(8763/TEMP2[4]+19.12*log(TEMP2[4])-135.94)\nP2 , ,exp(9969/TEMP2[4]+16.22*log(TEMP2[4])-122.65)\nP3 , ,exp(13875/TEMP2[4]+24.46*log(TEMP2[4])-182.61)\na , ,1-RH[0]/100\nK_prime ,ppb2 ,(P1[0]-P2[0]*a[0]+(P3[0]*a[0]*a[0]))*(a[0]^1.75)*K[0]\nsqrt_Ki ,ppb ,sqrt(RH[0]<=61 ? K[0] : K_prime[0])\nmax_NO3_loss ,ug m-3 ,745.7/TEMP2[4]*sqrt_Ki[0]\nPM25_NO3_loss ,ug m-3 ,max_NO3_loss[0]<=PM25_NO3[0] ? max_NO3_loss[0] : PM25_NO3[0]\nANO3IJ_loss ,ug m-3 ,max_NO3_loss[0]<=ANO3IJ[0] ? max_NO3_loss[0] : ANO3IJ[0]\nPM25_NH4_loss ,ug m-3 ,PM25_NO3_loss[0]*(18/62)\nANH4IJ_loss ,ug m-3 ,ANO3IJ_loss[0]*(18/62)\nPMIJ_FRM ,ug m-3 ,ATOTIJ[0]-(ANO3IJ_loss[0]+ANH4IJ_loss[0]) \\\n +0.24*(ASO4IJ[0]+ANH4IJ[0]-ANH4IJ_loss[0])+0.5\nPM25_FRM ,ug m-3 ,PM25_TOT[0]-(PM25_NO3_loss[0]+PM25_NH4_loss[0]) \\\n +0.24*(PM25_SO4[0]+PM25_NH4[0]-PM25_NH4_loss[0])+0.5\n" }, { "path": "CCTM/src/MECHS/cb6r3_ae7_aq/SpecDef_Dep_cb6r3_ae7_aq.txt", "content": "!#start YYYYJJJ\n!#end YYYYJJJ\n#layer 1\n\n/ File [1]: DRYDEP\n/ File [2]: WETDEP\n/ File [3]: METCRO2D\n/\n/new species ,units ,expression\n\nRT ,cm ,RC[3]>=0 ? RN[3]+RC[3] : RN[3]\n\n!---------------------------------------------------!\n!--------------- Gas Deposition --------------------!\n!---------------------------------------------------!\nDDEP_NO2 ,kg ha-1 ,NO2[1]\nWDEP_NO2 ,kg ha-1 ,NO2[2]\nDDEP_NO ,kg ha-1 ,NO[1]\nWDEP_NO ,kg ha-1 ,NO[2]\nDDEP_FORM\t ,kg ha-1 ,FORM[1]\nWDEP_FORM\t ,kg ha-1 ,FORM[2]\nDDEP_H2O2\t ,kg ha-1 ,H2O2[1]\nWDEP_H2O2 ,kg ha-1 ,H2O2[2]\nDDEP_N2O5 ,kg ha-1 ,N2O5[1]\nWDEP_N2O5 ,kg ha-1 ,N2O5[2]\nDDEP_HONO ,kg ha-1 ,HONO[1]\nWDEP_HONO ,kg ha-1 ,HONO[2]\nDDEP_HNO3 ,kg ha-1 ,HNO3[1]\nWDEP_HNO3 ,kg ha-1 ,HNO3[2]\nDDEP_NO3 ,kg ha-1 ,NO3[1]\nWDEP_NO3 ,kg ha-1 ,NO3[2]\nDDEP_CLNO2 ,kg ha-1 ,CLNO2[1]\nWDEP_CLNO2 ,kg ha-1 ,CLNO2[2]\nDDEP_CLNO3 ,kg ha-1 ,CLNO3[1]\nWDEP_CLNO3 ,kg ha-1 ,CLNO3[2]\nDDEP_NTR ,kg ha-1 ,NTR1[1]+NTR2[1]+INTR[1]\nWDEP_NTR ,kg ha-1 ,NTR1[2]+NTR2[2]+INTR[2]\nDDEP_PANT ,kg ha-1 ,PAN[1] + PANX[1] + OPAN[1]\nWDEP_PANT ,kg ha-1 ,PAN[2] + PANX[2] + OPAN[2]\nDDEP_NH3 ,kg ha-1 ,NH3[1]\nWDEP_NH3 ,kg ha-1 ,NH3[2]\nDDEP_SO2 ,kg ha-1 ,SO2[1]\nDDEP_O3 ,kg ha-1 ,O3[1]\nWDEP_O3 ,kg ha-1 ,O3[2]\nDDEP_PNA ,kg ha-1 ,PNA[1] \nWDEP_PNA ,kg ha-1 ,PNA[2] \n\n!---------------------------------------------------!\n!------------- Aerosol Deposition ------------------!\n!---------------------------------------------------!\nDDEP_ANO3IJ ,kg ha-1 ,ANO3I[1] + ANO3J[1]\nDDEP_ANO3K ,kg ha-1 ,ANO3K[1]\nWDEP_ANO3IJK ,kg ha-1 ,ANO3I[2] + ANO3J[2] + ANO3K[2]\nDDEP_TNO3 ,kg ha-1 ,ANO3I[1] + ANO3J[1] + ANO3K[1] + 0.984*HNO3[1] + NO3[1]\nWDEP_TNO3 ,kg ha-1 ,ANO3I[2] + ANO3J[2] + ANO3K[2] + 0.984*HNO3[2] + NO3[2]\nDDEP_ANH4IJ ,kg ha-1 ,ANH4I[1] + ANH4J[1]\nDDEP_ANH4K ,kg ha-1 ,ANH4K[1]\nWDEP_ANH4IJK ,kg ha-1 ,ANH4I[2] + ANH4J[2] + ANH4K[2]\nDDEP_AMTNO3J ,kg ha-1 ,AMTNO3J[1]\nWDEP_AMTNO3J ,kg ha-1 ,AMTNO3J[2]\nDDEP_ASO4IJ ,kg ha-1 ,ASO4I[1] + ASO4J[1]\nDDEP_ASO4K ,kg ha-1 ,ASO4K[1]\nWDEP_ASO4IJK ,kg ha-1 ,ASO4I[2] + ASO4J[2] + ASO4K[2]\nDDEP_AECIJ\t ,kg ha-1 ,AECI[1] +AECJ[1]\nDDEP_AOCIJ ,kgC ha-1 ,ALVPO1I[1]/1.39 + ASVPO1I[1]/1.32 + ASVPO2I[1]/1.26 \\\n +ALVPO1J[1]/1.39 + ASVPO1J[1]/1.32 + ASVPO2J[1]/1.26 \\\n +ASVPO3J[1]/1.21 + AIVPO1J[1]/1.17 \\\n +ALVOO1I[1]/2.27 + ALVOO2I[1]/2.06 \\\n +ASVOO1I[1]/1.88 + ASVOO2I[1]/1.73 \\\n +AISO1J[1]/2.20 + AISO2J[1]/2.23 + AISO3J[1]/2.80 \\\n +AMT1J[1]/1.67 + AMT2J[1]/1.67 + AMT3J[1]/1.72 \\\n +AMT4J[1]/1.53 + AMT5J[1]/1.57 + AMT6J[1]/1.40 \\\n +AMTNO3J[1]/1.90 + AMTHYDJ[1]/1.54 \\\n +AGLYJ[1]/2.13 + ASQTJ[1]/1.52 \\\n +AORGCJ[1]/2.00 + AOLGBJ[1]/2.10 + AOLGAJ[1]/2.50 \\\n +ALVOO1J[1]/2.27+ ALVOO2J[1]/2.06+ ASVOO1J[1]/1.88 \\\n +ASVOO2J[1]/1.73+ ASVOO3J[1]/1.60 \\\n +APCSOJ[1] /2.00+ AAVB1J[1]/2.70 + AAVB2J[1]/2.35 \\\n +AAVB3J[1]/2.17 + AAVB4J[1]/1.99 \n\n!DDEP_SSSO4J ,kg ha-1 ,0.2514*ANAJ[1]\n!DDEP_SSSO4K ,kg ha-1 ,0.2514*DDEP_ANAK[0]\n!WDEP_SSSO4JK ,kg ha-1 ,0.2514*ANAJ[2] + 0.2514*WDEP_ANAK[0]\n\n\n!-----------------------------------------------------!\n!-------- Total (Gas + Aerosol) Deposition -----------!\n!-----------------------------------------------------!\nDDEP_NHX ,kg ha-1 ,ANH4I[1] + ANH4J[1] + ANH4K[1] + 1.059*NH3[1]\nWDEP_NHX ,kg ha-1 ,ANH4I[2] + ANH4J[2] + ANH4K[2] + 1.059*NH3[2]\nWDEP_TSO4 ,kg ha-1 ,ASO4I[2] + ASO4J[2] + ASO4K[2] + 1.5*SO2[2]\n\n!! Sodium\nDDEP_ANAJ ,kg ha-1 ,ANAJ[1]\nDDEP_ANAK ,kg ha-1 ,0.8373*ASEACAT[1]+0.0626*ASOIL[1]+0.0023*ACORS[1]\nDDEP_ANAJK ,kg ha-1 ,DDEP_ANAJ[0] + DDEP_ANAK[0]\nWDEP_ANAK ,kg ha-1 ,0.8373*ASEACAT[2]+0.0626*ASOIL[2]+0.0023*ACORS[2]\nWDEP_ANAJK ,kg ha-1 ,ANAJ[2] + WDEP_ANAK[0]\nTDEP_ANAJK ,kg ha-1 ,DDEP_ANAJK[0] + WDEP_ANAJK[0]\n\n!! Chloride\nDDEP_ACLJ ,kg ha-1 ,ACLJ[1]\nDDEP_ACLK ,kg ha-1 ,ACLK[1]\nDDEP_ACLJK ,kg ha-1 ,ACLJ[1] + ACLK[1]\nWDEP_TCL ,kg ha-1 ,0.972*HCL[2]+CL2[2] + ACLJ[2] + ACLK[2] + 0.6758*HOCL[1]\nTDEP_CL ,kg ha-1 ,DDEP_ACLJK[0] + WDEP_TCL[0]\n\n!! Calcium\nDDEP_CAJ\t ,kg ha-1 ,ACAJ[1]\nWDEP_CAJ\t ,kg ha-1 ,ACAJ[2]\nDDEP_CAK ,kg ha-1 ,0.0320*ASEACAT[1]+0.0838*ASOIL[1]+0.0562*ACORS[1]\nWDEP_CAK ,kg ha-1 ,0.0320*ASEACAT[2]+0.0838*ASOIL[2]+0.0562*ACORS[2]\nDDEP_CAJK\t ,kg ha-1 ,ACAJ[1]+DDEP_CAK[0]\nWDEP_CAJK\t ,kg ha-1 ,ACAJ[2]+WDEP_CAK[0]\n\n!! Iron\nDDEP_FEJ\t ,kg ha-1 ,AFEJ[1]\nWDEP_FEJ\t ,kg ha-1 ,AFEJ[2]\n\n!! Aluminum\nDDEP_ALJ\t ,kg ha-1 ,AALJ[1]\nWDEP_ALJ ,kg ha-1 ,AALJ[2]\n\n!! Silicon\nDDEP_SIJ ,kg ha-1 ,ASIJ[1]\nWDEP_SIJ ,kg ha-1 ,ASIJ[2]\n\n!! Titanium\nDDEP_TIJ ,kg ha-1 ,ATIJ[1]\nWDEP_TIJ ,kg ha-1 ,ATIJ[2]\n\n!! Magnesium\nDDEP_MGJ ,kg ha-1 ,AMGJ[1]\nWDEP_MGJ ,kg ha-1 ,AMGJ[2]\nDDEP_MGK ,kg ha-1 ,0.0997*ASEACAT[1]+0.0170*ASOIL[1]+0.0032*ACORS[1]\nWDEP_MGK ,kg ha-1 ,0.0997*ASEACAT[2]+0.0170*ASOIL[2]+0.0032*ACORS[2]\nDDEP_MGJK ,kg ha-1 ,AMGJ[1]+DDEP_MGK[0]\nWDEP_MGJK ,kg ha-1 ,AMGJ[2]+WDEP_MGK[0]\n\n!! Potassium\nDDEP_KJ ,kg ha-1 ,AKJ[1]\nWDEP_KJ ,kg ha-1 ,AKJ[2]\nDDEP_KK ,kg ha-1 ,0.0310*ASEACAT[1]+0.0242*ASOIL[1]+0.0176*ACORS[1]\nWDEP_KK ,kg ha-1 ,0.0310*ASEACAT[2]+0.0242*ASOIL[2]+0.0176*ACORS[2]\nDDEP_KJK ,kg ha-1 ,AKJ[1]+DDEP_KK[0]\nWDEP_KJK ,kg ha-1 ,AKJ[2]+WDEP_KK[0]\n\n!! Manganese\nDDEP_MNJ ,kg ha-1 ,AMNJ[1]\nWDEP_MNJ ,kg ha-1 ,AMNJ[2]\n\n\n!---------------------------------------------------!\n!------------- Nitrogen Deposition -----------------!\n!---------------------------------------------------!\nDD_OXN_NOX ,kgN ha-1 ,0.30435*NO2[1] + 0.46667*NO[1]\nWD_OXN_NOX ,kgN ha-1 ,0.30435*NO2[2] + 0.46667*NO[2]\nDD_OXN_TNO3 ,kgN ha-1 ,0.22581*DDEP_TNO3[0]\nWD_OXN_TNO3 ,kgN ha-1 ,0.22581*WDEP_TNO3[0]\nDD_OXN_PANT ,kgN ha-1 ,0.11570*PAN[1] + 0.11570*PANX[1] + 0.11570*OPAN[1]\nWD_OXN_PANT ,kgN ha-1 ,0.11570*PAN[2] + 0.11570*PANX[2] + 0.11570*OPAN[2]\nDD_OXN_ORGN ,kgN ha-1 ,0.10770*(NTR1[1]+NTR2[1]+INTR[1])+0.06061*DDEP_AMTNO3J[0]+DD_OXN_PANT[0]\nWD_OXN_ORGN ,kgN ha-1 ,0.10770*(NTR1[2]+NTR2[2]+INTR[2])+0.06061*WDEP_AMTNO3J[0]+WD_OXN_PANT[0]\nDD_OXN_OTHR ,kgN ha-1 ,0.25926*N2O5[1] + 0.29787*HONO[1]+0.17720*PNA[1]+0.1717*CLNO2[1]+0.1436*CLNO3[1]\nWD_OXN_OTHR ,kgN ha-1 ,0.25926*N2O5[2] + 0.29787*HONO[2]+0.17720*PNA[2]+0.1717*CLNO2[2]+0.1436*CLNO3[2]\nDD_OXN_TOT ,kgN ha-1 ,DD_OXN_NOX[0] + DD_OXN_TNO3[0] + DD_OXN_ORGN[0] + DD_OXN_OTHR[0]\nWD_OXN_TOT ,kgN ha-1 ,WD_OXN_NOX[0] + WD_OXN_TNO3[0] + WD_OXN_ORGN[0] + WD_OXN_OTHR[0]\n\nTD_OXN_TOT ,kgN ha-1 ,DD_OXN_TOT[0] + WD_OXN_TOT[0]\nDD_REDN_TOT ,kgN ha-1 ,0.7777*DDEP_NHX[0]\nWD_REDN_TOT ,kgN ha-1 ,0.7777*WDEP_NHX[0]\nTD_REDN_TOT ,kgN ha-1 ,DD_REDN_TOT[0] + WD_REDN_TOT[0]\n\nDD_N_TOT ,kgN ha-1 ,DD_OXN_TOT[0] + DD_REDN_TOT[0]\nWD_N_TOT ,kgN ha-1 ,WD_OXN_TOT[0] + WD_REDN_TOT[0]\nTD_N_TOT ,kgN ha-1 ,DD_N_TOT[0] + WD_N_TOT[0]\n\n!! Nitrogen Deposition in milliequivalents Nitrogen\n!DD_OXN_TOTMEQ ,meqN m-2 ,7.14*DD_OXN_TOT[0]\n!WD_OXN_TOTMEQ ,meqN m-2 ,7.14*WD_OXN_TOT[0]\n!TD_OXN_TOTMEQ ,meqN m-2 ,DD_OXN_TOTMEQ[0] + WD_OXN_TOTMEQ[0]\n!DD_REDN_TOTMEQ ,meqN m-2 ,7.14*DD_REDN_TOT[0]\n!WD_REDN_TOTMEQ ,meqN m-2 ,7.14*WD_REDN_TOT[0]\n!TD_REDN_TOTMEQ ,meqN m-2 ,DD_REDN_TOTMEQ[0] + WD_REDN_TOTMEQ[0]\n!DD_N_TOTMEQ ,meqN m-2 ,DD_OXN_TOTMEQ[0] + DD_REDN_TOTMEQ[0]\n!WD_N_TOTMEQ ,meqN m-2 ,WD_OXN_TOTMEQ[0] + WD_REDN_TOTMEQ[0]\n!TD_N_TOTMEQ ,meqN m-2 ,DD_N_TOTMEQ[0] + WD_N_TOTMEQ[0]\n\n!-------------------------------------------------!\n!------------- Sulfur Deposition -----------------!\n!-------------------------------------------------!\nDD_S_TOT ,kgS ha-1 ,0.5*SO2[1] + 0.33333*ASO4I[1] + 0.33333*ASO4J[1] + 0.33333*ASO4K[1]\nWD_S_TOT ,kgS ha-1 ,0.33333*WDEP_TSO4[0]\nTD_S_TOT ,kgS ha-1 ,DD_S_TOT[0] + WD_S_TOT[0]\n!DD_S_SeaS ,kgS ha-1 ,0.33333*DDEP_SSSO4J[0] + 0.33333*DDEP_SSSO4K[0]\n!WD_S_SeaS ,kgS ha-1 ,0.33333*WDEP_SSSO4JK[0]\n!TD_S_SeaS ,kgS ha-1 ,DD_S_SeaS[0] + WD_S_SeaS[0]\n\n!! Sulfur Deposition in milliequivalents Sulfur\n!DD_S_TOTMEQ ,meqS m-2 ,6.24*DD_S_TOT[0]\n!WD_S_TOTMEQ ,meqS m-2 ,6.24*WD_S_TOT[0]\n!TD_S_TOTMEQ ,meqS m-2 ,DD_S_TOTMEQ[0] + WD_S_TOTMEQ[0]\n!DD_S_SeaSMEQ ,meqS m-2 ,6.24*DD_S_SeaS[0]\n!WD_S_SeaSMEQ ,meqS m-2 ,6.24*WD_S_SeaS[0]\n!TD_S_SeaSMEQ ,meqS m-2 ,DD_S_SeaSMEQ[0] + WD_S_SeaSMEQ[0]\n" }, { "path": "CCTM/src/MECHS/cb6r3_ae7_aq/SpecDef_cb6r3_ae7_aq.txt", "content": "!#start YYYYJJJ 010000\n!#end YYYYJJJ 000000\n#layer 1\n\n/\n! This Species Definition File is for Use with the COMBINE tool built for \n! post-processing CMAQ output. It is compatible with CMAQv5.2.\n! Date: May 12 2017\n\n! Output variables that begin with 'PM' represent those in which a size cut was \n! applied based on modeled aerosol mode parameters. For example, PM25_NA is all \n! sodium that falls below 2.5 um diameter. These 'PM' variables are used for \n! comparisons at IMPROVE and CSN sites.\n\n! Output variables that begin with 'PMAMS' represent the mass that would have\n! been detected by an Aerosol Mass Spectrometer.\n\n! Output variables beginning with 'A' (aside from AIR_DENS) represent a \n! combination of aerosol species in which no size cut was applied. For example, \n! ASO4IJ is the sum of i-mode and j-mode sulfate. These 'A' variables are used \n! for comparisons at CASTNet sites.\n\n! Output variables beginning with 'PMC' refer to the coarse fraction of total PM,\n! computed by summing all modes and subtracting the PM2.5 fraction. These 'PMC'\n! variables are used for comparisons at SEARCH sites.\n\n! This Species Definition File is just for use with the uncoupled, offline CMAQ,\n! model. If you are processing WRF-CMAQ results, a different Species Definition\n! file is required.\n\n/ File [1]: CMAQ conc/aconc file\n/ File [2]: METCRO3D file\n/ File [3]: ELMO/AELMO file\n/ File [4]: METCRO2D file\n/\n/new species ,units ,expression\n \n!-------------------------------------------!\n!------------- Meteorology -----------------!\n!-------------------------------------------!\nAIR_DENS ,kg m-3 ,DENS[2]\nRH ,% ,100.00*RH[3]\nSFC_TMP ,C ,(TEMP2[4]-273.15)\nPBLH ,m ,PBL[4]\nSOL_RAD ,W m-2 ,RGRND[4]\nprecip ,cm ,RC[4]>=0 ? RN[4]+RC[4] : RN[4]\nWSPD10 ,m s-1 ,WSPD10[4]\nWDIR10 ,deg ,WDIR10[4]\n\n!-------------------------------------------!\n!--------------- Gases ---------------------!\n!-------------------------------------------!\nALD2 ,ppbV ,1000.0*ALD2[1]\nBENZENE ,ppbV ,1000.0*BENZENE[1]\nCO ,ppbV ,1000.0*CO[1]\nETH ,ppbV ,1000.0*ETH[1]\nETHA ,ppbV ,1000.0*ETHA[1]\nFORM ,ppbV ,1000.0*FORM[1]\nH2O2 ,ppbV ,1000.0*H2O2[1]\nHNO3 ,ppbV ,1000.0*HNO3[1]\nHNO3_UGM3 ,ug m-3 ,1000.0*(HNO3[1]*2.1756*DENS[2])\nHONO ,ppbV ,1000.0*HONO[1]\nHOX ,ppbV ,1000.0*(OH[1]+HO2[1])\nOH ,ppbV ,1000.0*(OH[1])\nISOP ,ppbV ,1000.0*ISOP[1]\nN2O5 ,ppbV ,1000.0*N2O5[1]\nNH3 ,ppbV ,1000.0*NH3[1]\nNH3_UGM3 ,ug m-3 ,1000.0*(NH3[1]*0.5880*DENS[2])\nNHX ,ug m-3 ,1000.0*(NH3[1]*0.5880*DENS[2])+ANH4I[1]+ANH4J[1]+ANH4K[1]\nNO ,ppbV ,1000.0*NO[1]\nNO2 ,ppbV ,1000.0*NO2[1]\nNOX ,ppbV ,1000.0*(NO[1] + NO2[1])\nANO3_PPB ,ppbV ,(ANO3I[1]+ANO3J[1]+ANO3K[1])/(DENS[2]*(62.0/28.97))\nNTR ,ppbV ,1000.0*(NTR1[1]+NTR2[1]+INTR[1])\nPANS ,ppbV ,1000.0*(PAN[1]+PANX[1]+OPAN[1])\nNOY ,ppbV ,1000.0* (NO[1]+NO2[1]+NO3[1]+2*N2O5[1]+HONO[1]+HNO3[1]+PNA[1] \\\n +CRON[1]+CLNO2[1]+CLNO3[1]) \\\n +PANS[0]+NTR[0]+ANO3_PPB[0]\nO3 ,ppbV ,1000.0*O3[1]\nSO2 ,ppbV ,1000.0*SO2[1]\nSO2_UGM3 ,ug m-3 ,1000.0*(SO2[1]*2.2118*DENS[2])\nTERP ,ppbV ,1000.0*TERP[1]\nTOL ,ppbV ,1000.0*TOL[1]\nXYL ,ppbV ,1000.0*XYLMN[1]\n\n!Additional Toxic gases\n!ACROLEIN ,ug m-3 ,1000.0*(ACROLEIN[1]*1.9365*DENS[2])\n!ACRO_PRIMARY ,ug m-3 ,1000.0*(ACRO_PRIMARY*1.9365*DENS[2])\n!ALD2_PRIMARY ,ug m-3 ,1000.0*(ALD2_PRIMARY[1]*1.5188*DENS[2])\n!FORM_PRIMARY ,ug m-3 ,1000.0*(FORM_PRIMARY[1]*1.0356*DENS[2])\n!BUTADIENE13 ,ug m-3 ,1000.0*(BUTADIENE13[1]*1.8674*DENS[2])\n!HCL ,ppbV ,1000.0*HCL[1]\n!TOLUENE ,ppbV ,1000.0*TOLU[1]\n\n!Mercuric gas species\n!HG_0 ,ng/m3 ,1000.0*(HG[1]*8.3330*DENS[2]*1000.0) \n!HG_II ,ng/m3 ,1000.0*(HGIIGAS[1]*8.3330*DENS[2]*1000.0) \n\n!! Unused Gases. Presented Here for illustration. Users can uncomment\n!! them if they choose.\n!ALDX ,ppbV ,1000.0*ALDX[1]\n!IOLE ,ppbV ,1000.0*IOLE[1]\n!OLE ,ppbV ,1000.0*OLE[1]\n!PAR ,ppbV ,1000.0*PAR[1]\n!PAN ,ppbV ,1000.0*PAN[1]\n!SULF ,ppbV ,1000.0*SULF[1]\n! emitted VOCs\n!VOC ,ppbC ,1000.0* (PAR[1] +2.0*ETHA[1] +3.0*PRPA[1] +MEOH[1]\\\n! +2.0*ETH[1] +2.0*ETOH[1] +2.0*OLE[1] +3.0*ACET[1] \\\n! +7.0*TOL[1] +8.0*XYLMN[1] +6.0*BENZENE[1] \\\n! +FORM[1] +3.0*GLY[1] +4.0*KET[1] +2.0*ETHY[1] \\\n! +2.0*ALD2[1] + 4.0*IOLE[1] + 2.0*ALDX[1] \\\n! +5.0*ISOP[1] + 10.0*TERP[1]+ 10.0*NAPH[1] +10.*APIN[1])\n\n\n\n!-------------------------------------------!\n!--------------- Particles -----------------!\n!-------------------------------------------!\n!! Crustal Elements\nAFEJ ,ug m-3 ,PMF_FE[3]\nAALJ ,ug m-3 ,PMF_AL[3]\nASIJ ,ug m-3 ,PMF_SI[3]\nATIJ ,ug m-3 ,PMF_TI[3]\nACAJ ,ug m-3 ,PMF_CA[3]\nAMGJ ,ug m-3 ,PMF_MG[3]\nAKJ ,ug m-3 ,PMF_K[3]\nAMNJ ,ug m-3 ,PMF_MN[3]\nASOILJ ,ug m-3 ,PMF_SOILIMPV[3]\n\n!! Non-Crustal Inorganic Particle Species\nAHPLUSIJ ,umol m-3 ,PMF_HP[3]\nANAK ,ug m-3 ,PMC_NA[3]\nAMGK ,ug m-3 ,PMC_MG[3]\nAKK ,ug m-3 ,PMC_K[3]\nACAK ,ug m-3 ,PMC_CA[3]\nACLIJ ,ug m-3 ,PMF_CL[3]\nAECIJ ,ug m-3 ,PMF_EC[3]\nANAIJ ,ug m-3 ,PMF_NA[3]\nANO3IJ ,ug m-3 ,PMF_NO3[3]\nANO3K ,ug m-3 ,PMC_NO3[3]\nTNO3 ,ug m-3 ,TNO3[3]\nANH4IJ ,ug m-3 ,PMF_NH4[3]\nANH4K ,ug m-3 ,PMC_NH4[3]\nASO4IJ ,ug m-3 ,PMF_SO4[3]\nASO4K ,ug m-3 ,PMC_SO4[3]\n\n!! Organic Particle Species\nAPOCIJ ,ugC m-3 ,PMF_POC[3]\nAPOMIJ ,ug m-3 ,PMF_POA[3]\nASOCIJ ,ugC m-3 ,PMF_SOC[3]\nASOMIJ ,ug m-3 ,PMF_SOA[3]\nAOCIJ ,ugC m-3 ,PMF_OC[3]\nAOMIJ ,ug m-3 ,PMF_OA[3]\n\n!!! Anthropogenic-VOC Derived Organic Aerosol\nAORGAIJ ,ug m-3 ,PMF_ASOA[3]\n\n!!! Biogenic-VOC Derived Organic Aerosol\nAORGBIJ ,ug m-3 ,PMF_BSOA[3]\n\n!!! Cloud-Processed SOA\nAORGCJ ,ug m-3 ,AORGCJ[1]\n\n!!! OM/OC ratios\nAOMOCRAT_TOT , ,PMF_OMOC[3]\n\n!! Total PM Aggregates\nATOTI ,ug m-3 ,PMAIT_MASS[3]\nATOTJ ,ug m-3 ,PMACC_MASS[3]\nATOTK ,ug m-3 ,PMC_MASS[3]\nATOTIJ ,ug m-3 ,PMF_MASS[3]\nATOTIJK ,ug m-3 ,PM_MASS[3]\n\n!! Unspeciated PM including non-carbon organic mass\nAUNSPEC1IJ ,ug m-3 ,PMF_UN_IMPV1[3]\n!! Non-Carbon Organic Mass\nANCOMIJ ,ug m-3 ,PMF_NCOM[3]\n\n!! Unspeciated PM excluding non-carbon organic mass\nAUNSPEC2IJ ,ug m-3 ,PMF_UN_IMPV2[3]\n\n!! AMS Projection of Output Concentrations\nPMAMS_CL ,ug m-3 ,PMAMS_CL[3]\nPMAMS_NH4 ,ug m-3 ,PMAMS_NH4[3]\nPMAMS_NO3 ,ug m-3 ,PMAMS_NO3[3]\nPMAMS_OA ,ug m-3 ,PMAMS_OA[3]\nPMAMS_SO4 ,ug m-3 ,PMAMS_SO4[3]\n\n!! PM1 Cutoff Output\nPM1_TOT ,ug m-3 ,PM1[3]\n\n!! Unused PM1 Species. Included Here for demonstration\n!PM1_EC ,ug m-3 ,PM1_EC[3]\n!PM1_OC ,ugC m-3 ,PM1_OC[3]\n!PM1_OM ,ug m-3 ,PM1_OA[3]\n!PM1_SO4 ,ug m-3 ,PM1_SO4[3]\n!PM1_CL ,ug m-3 ,PM1_CL[3]\n!PM1_NA ,ug m-3 ,PM1_NA[3]\n!PM1_MG ,ug m-3 ,PM1_MG[3]\n!PM1_K ,ug m-3 ,PM1_K[3]\n!PM1_CA ,ug m-3 ,PM1_CA[3]\n!PM1_NH4 ,ug m-3 ,PM1_NH4[3]\n!PM1_NO3 ,ug m-3 ,PM1_NO3[3]\n!PM1_SOIL ,ug m-3 ,PM1_SOIL[3]\n!PM1_UNSPEC1 ,ug m-3 ,PM1_UNSP1[3]\n!PM1_UNSPCRS ,ug m-3 ,PM1_UNSPCRS[3]\n\n!! PM2.5 species computed using modeled size distribution\nPM25_HP ,ug m-3 ,PM25_HP[3]\nPM25_CL ,ug m-3 ,PM25_CL[3] \nPM25_EC ,ug m-3 ,PM25_EC[3] \nPM25_NA ,ug m-3 ,PM25_NA[3] \nPM25_MG ,ug m-3 ,PM25_MG[3] \nPM25_K ,ug m-3 ,PM25_K[3] \nPM25_CA ,ug m-3 ,PM25_CA[3] \nPM25_NH4 ,ug m-3 ,PM25_NH4[3] \nPM25_NO3 ,ug m-3 ,PM25_NO3[3] \nPM25_OC ,ugC m-3 ,PM25_OC[3] \nPM25_OM ,ug m-3 ,PM25_OA[3] \nPM25_SOIL ,ug m-3 ,PM25_SOIL[3] \nPM25_SO4 ,ug m-3 ,PM25_SO4[3] \nPM25_TOT ,ug m-3 ,PM25[3] \nPM25_UNSPEC1 ,ug m-3 ,PM25_UNSP1[3] \nPM25_UNSPCRS ,ug m-3 ,PM25_UNSPCRS[3] \n \n\n!! Fine particle acidity (pH). pH is undefined if there is no aerosol water. \n!Do not trust predictions when hourly water is <0.01 ug m-3. FINEPHF will \n!have large negative value (-9.999E36) when pH is not to be trusted.\n!AH2OIJ ,ug m-3 ,AH2OI[1]+AH2OJ[1]\n!HPMOLAL ,mol kg-1 ,AHPLUSIJ[0]/AH2OIJ[0]*1000.0\n!ACIDITYTEMP , ,-1*LOG10(HPMOLAL[0])\n!FINEPHF , ,AH2OIJ[0]>0.01 ? ACIDITYTEMP[0] : -9.999E36\n\n!! PM10.0 and Coarse-Sized Species\nPM10 ,ug m-3 ,PM10[3]\n \nPMC_CL ,ug m-3 ,PM25TO10_CL[3]\nPMC_NA ,ug m-3 ,PM25TO10_NA[3]\nPMC_NH4 ,ug m-3 ,PM25TO10_NH4[3] \nPMC_NO3 ,ug m-3 ,PM25TO10_NO3[3] \nPMC_SO4 ,ug m-3 ,PM25TO10_SO4[3] \nPMC_TOT ,ug m-3 ,PM25TO10[3] \n \n!! FRM PM Equivalent Calculation\nPMIJ_FRM ,ug m-3 ,PMF_FRM[3]\nPM25_FRM ,ug m-3 ,PM25_FRM[3]\n" }, { "path": "CCTM/src/MECHS/cb6r3_ae7_aq/mech_cb6r3_ae7_aq.def", "content": "!CB6r3 for CMAQ\n! created for CMAQv5.2 and released in June 2017\n! documented in https://www.epa.gov/cmaq\n! Changes made for CMAQv5.3:\n! For SE US study with Ng Group, Gatech (HOT Pye 2017):\n! Remove TRPRXN formation from NO3 reactions\n! Split APIN from other monoterpenes\n! Add MTNO3 formation following Pye et al. 2015 (from SAPRC07tic implementation)\n! Update TRPRXN SOA yields in SOA_DEFN.F\n! Documentation in Xu et al. 2018 ACPD: https://doi.org/10.5194/acp-2017-1109\n! 03-04-21 G.Sarwar\n! updated \n! 080118 DJL\n! 1. Modified chlorine reactions ( to ) to match CB6r2, mimic\n! similar reactions in CB6r3, or updated to IUPAC\n! 2. Added new species, CLNO3 and reactions of CLNO3\n! 3. New heterogeneous reactions ( and ) from\n! hemispheric halogen chemical mechanism\n! 4. implemented temperature and pressure-dependent CS/QY for CLNO2\n! 040319 HOT Pye: IEPOX uptake now consumes inorganic sulfate\n!\n!---------------------------------\nCB6R3_AE7_AQ\n\nREACTIONS[CM] =\n\n NO2 = NO + O # 1.0/;\n O + O2 + M = O3 + M # 5.68E-34^-2.6;\n O3 + NO = NO2 # 1.40E-12@1310;\n O + NO + M = NO2 + M # 1.00E-31^-1.6;\n O + NO2 = NO # 5.50E-12@-188;\n O + NO2 = NO3 # 1.30E-31^-1.5 & 2.30E-11^0.24 &0.6 &1;\n O + O3 = # 8.00E-12@2060;\n O3 = O # 1.0/;\n O3 = O1D # 1.0/;\n O1D + M = O + M # 2.23E-11@-115;\n O1D + H2O = 2.0*OH # 2.14E-10;\n O3 + OH = HO2 # 1.70E-12@940;\n O3 + HO2 = OH # 2.03E-16^4.57@-693;\n OH + O = HO2 # 2.40E-11@-110;\n HO2 + O = OH # 2.70E-11@-224;\n OH + OH = O # 6.20E-14^2.6@-945;\n OH + OH = H2O2 # 6.90E-31^-0.8 & 2.60E-11 &0.5 &1.13;\n OH + HO2 = # 4.80E-11@-250;\n HO2 + HO2 = H2O2 %3 # 2.20E-13@-600 & 1.90E-33@-980;\n HO2 + HO2 + H2O = H2O2 %3 # 3.08E-34@-2800 & 2.66E-54@-3180;\n H2O2 = 2.0*OH # 1.0/;\n H2O2 + OH = HO2 # 2.90E-12@160;\n H2O2 + O = OH + HO2 # 1.40E-12@2000;\n NO + NO + O2 = 2.0*NO2 # 3.30E-39@-530;\n HO2 + NO = OH + NO2 # 3.45E-12@-270;\n NO2 + O3 = NO3 # 1.40E-13@2470;\n NO3 = NO2 + O # 1.0/;\n NO3 = NO # 1.0/;\n NO3 + NO = 2.0*NO2 # 1.80E-11@-110;\n NO3 + NO2 = NO + NO2 # 4.50E-14@1260;\n NO3 + O = NO2 # 1.70E-11;\n NO3 + OH = HO2 + NO2 # 2.00E-11;\n NO3 + HO2 = OH + NO2 # 4.00E-12;\n NO3 + O3 = NO2 # 1.00E-17;\n NO3 + NO3 = 2.0*NO2 # 8.50E-13@2450;\n NO3 + NO2 = N2O5 # 3.60E-30^-4.1 & 1.90E-12^0.2 &0.35 &1.33;\n N2O5 = NO3 + NO2 # 1.30E-3^-3.5@11000 & 9.70E+14^0.1@11080 &0.35 &1.33;\n N2O5 = NO2 + NO3 # 1.0/;\n N2O5 + H2O = 2.0*HNO3 # 1.00E-22;\n NO + OH = HONO # 7.40E-31^-2.4 & 3.30E-11^-0.3 &0.81 &0.87;\n NO + NO2 + H2O = 2.0*HONO # 5.00E-40;\n HONO + HONO = NO + NO2 # 1.00E-20;\n HONO = NO + OH # 1.0/;\n HONO + OH = NO2 # 2.50E-12@-260;\n NO2 + OH = HNO3 # 1.80E-30^-3 & 2.80E-11 &0.6 &1;\n HNO3 + OH = NO3 %2 # 2.40E-14@-460 & 2.70E-17@-2199 & 6.50E-34@-1335;\n HNO3 = OH + NO2 # 1.0/;\n HO2 + NO2 = PNA # 1.80E-31^-3.2 & 4.70E-12 &0.6 &1;\n PNA = HO2 + NO2 # 4.10E-5@10650 & 4.80E+15@11170 &0.6 &1;\n PNA = 0.59*HO2 + 0.59*NO2 + 0.41*OH + 0.41*NO3 # 1.0/;\n PNA + OH = NO2 # 3.20E-13@-690;\n! Added SULRXN to SO2+OH\n SO2 + OH = SULF + HO2 + SULRXN # 4.50E-31^-3.9 & 1.30E-12^-0.7 &0.53 &1.1;\n C2O3 + NO = NO2 + MEO2 + RO2 # 7.50E-12@-290;\n C2O3 + NO2 = PAN # 2.70E-28^-7.1 & 1.20E-11^-0.9 &0.3 &1.41;\n PAN = NO2 + C2O3 # 4.90E-3@12100 & 5.40E+16@13830 &0.3 &1.41;\n PAN = 0.6*NO2 + 0.6*C2O3 + 0.4*NO3 + 0.4*MEO2 +0.4*RO2 #1.0/;\n C2O3 + HO2 = 0.41*PACD + 0.15*AACD + 0.15*O3 + 0.44*MEO2 + 0.44*RO2 \n + 0.44*OH # 5.20E-13@-980;\n C2O3 + RO2 = C2O3 # 8.90E-13@-800;\n C2O3 + C2O3 = 2.0*MEO2 + 2.0*RO2 # 2.90E-12@-500;\n C2O3 + CXO3 = MEO2 + ALD2 + XO2H + 2.0*RO2 # 2.90E-12@-500;\n CXO3 + NO = NO2 + ALD2 + XO2H + RO2 # 6.70E-12@-340;\n CXO3 + NO2 = PANX # 1.00E+0*K;\n PANX = NO2 + CXO3 # 1.00E+0*K;\n PANX = 0.6*NO2 +0.6*CXO3 +0.4*NO3 +0.4*ALD2 +0.4*XO2H +0.4*RO2 \n #1.0/;\n CXO3 + HO2 = 0.41*PACD + 0.15*AACD + 0.15*O3 + 0.44*ALD2 + 0.44*XO2H \n + 0.44*RO2 + 0.44*OH # 5.20E-13@-980;\n CXO3 + RO2 = 0.8*ALD2 + 0.8*XO2H + 0.8*RO2 # 8.90E-13@-800;\n CXO3 + CXO3 = 2.0*ALD2 + 2.0*XO2H + 2.0*RO2 # 3.20E-12@-500;\n RO2 + NO = NO # 2.40E-12@-360;\n RO2 + HO2 = HO2 # 4.80E-13@-800;\n RO2 + RO2 = # 6.50E-14@-500;\n MEO2 + NO = FORM + HO2 + NO2 # 2.30E-12@-360;\n MEO2 + HO2 = 0.9*MEPX + 0.1*FORM # 3.80E-13@-780;\n MEO2 + C2O3 = FORM + 0.9*HO2 + 0.9*MEO2 + 0.1*AACD +0.9*RO2 # 2.E-12@-500;\n MEO2 + RO2 = 0.685*FORM + 0.315*MEOH + 0.37*HO2 + RO2 # 1.0*K;\n XO2H + NO = NO2 + HO2 # 2.70E-12@-360;\n XO2H + HO2 = ROOH # 6.80E-13@-800;\n XO2H + C2O3 = 0.8*HO2 + 0.8*MEO2 + 0.2*AACD + 0.8*RO2 # 1.0*K;\n XO2H + RO2 = 0.6*HO2 + RO2 # 1.00E+0*K;\n XO2 + NO = NO2 # 1.00E+0*K;\n XO2 + HO2 = ROOH # 1.00E+0*K;\n XO2 + C2O3 = 0.8*MEO2 + 0.2*AACD + 0.8*RO2 # 1.0*K;\n XO2 + RO2 = RO2 # 1.00E+0*K;\n XO2N + NO = 0.5*NTR1 + 0.5*NTR2 # 1.00E+0*K;\n XO2N + HO2 = ROOH # 1.00E+0*K;\n XO2N + C2O3 = 0.8*HO2 + 0.8*MEO2 + 0.2*AACD + 0.8*RO2 # 1.0*K;\n XO2N + RO2 = RO2 # 1.00E+0*K;\n MEPX + OH = 0.6*MEO2 + 0.6*RO2 + 0.4*FORM + 0.4*OH # 5.30E-12@-190;\n MEPX = MEO2 + RO2 + OH # 1.0/;\n ROOH + OH = 0.54*XO2H + 0.06*XO2N + 0.6*RO2 + 0.4*OH # 5.30E-12@-190;\n ROOH = HO2 + OH # 1.0/;\n NTR1 + OH = NTR2 # 2.00E-12;\n NTR1 = NO2 # 1.0/;\n!BK NTR1 = NO2 # 0.0/;\n!BK NTR1 = NO2 # 0.0/;\n FACD + OH = HO2 # 4.50E-13;\n AACD + OH = MEO2 + RO2 # 4.00E-14@-850;\n PACD + OH = C2O3 # 5.30E-12@-190;\n FORM + OH = HO2 + CO # 5.40E-12@-135;\n FORM = 2.0*HO2 + CO # 1.0/;\n FORM = CO # 1.0/;\n FORM + O = OH + HO2 + CO # 3.40E-11@1600;\n FORM + NO3 = HNO3 + HO2 + CO # 5.50E-16;\n FORM + HO2 = HCO3 # 9.70E-15@-625;\n HCO3 = FORM + HO2 # 2.40E+12@7000;\n HCO3 + NO = FACD + NO2 + HO2 # 5.60E-12;\n HCO3 + HO2 = 0.5*MEPX + 0.5*FACD + 0.2*OH + 0.2*HO2 # 5.60E-15@-2300;\n ALD2 + O = C2O3 + OH # 1.80E-11@1100;\n ALD2 + OH = C2O3 # 4.70E-12@-345;\n ALD2 + NO3 = C2O3 + HNO3 # 1.40E-12@1860;\n ALD2 = MEO2 + RO2 + CO + HO2 # 1.0/;\n ALDX + O = CXO3 + OH # 1.30E-11@870;\n ALDX + OH = CXO3 # 4.90E-12@-405;\n ALDX + NO3 = CXO3 + HNO3 # 6.30E-15;\n ALDX = ALD2 + XO2H + RO2 + CO + HO2 # 1.0/;\n GLYD + OH = 0.2*GLY + 0.2*HO2 + 0.8*C2O3 # 8.00E-12;\n GLYD = 0.74*FORM + 0.89*CO + 1.4*HO2 + 0.15*MEOH + 0.19*OH + 0.11*GLY \n + 0.11*XO2H + 0.11*RO2 # 1.0/;\n GLYD + NO3 = HNO3 + C2O3 # 1.40E-12@1860;\n GLY + OH = 1.8*CO + 0.2*XO2 + 0.2*RO2 + HO2 # 3.10E-12@-340;\n GLY = 2.0*HO2 + 2.0*CO # 1.0/;\n GLY + NO3 = HNO3 + 1.5*CO + 0.5*XO2 + 0.5*RO2 + HO2 # 1.40E-12@1860;\n MGLY = C2O3 + HO2 + CO # 1.0/;\n MGLY + NO3 = HNO3 + C2O3 + XO2 + RO2 # 1.40E-12@1860;\n MGLY + OH = C2O3 + CO # 1.90E-12@-575;\n H2 + OH = HO2 # 7.70E-12@2100;\n CO + OH = HO2 %3 # 1.44E-13@0.0 &3.43E-33@0.0;\n CH4 + OH = MEO2 + RO2 # 1.85E-12@1690;\n ETHA + OH = 0.991*ALD2 + 0.991*XO2H + 0.009*XO2N + RO2 # 6.90E-12@1000;\n MEOH + OH = FORM + HO2 # 2.85E-12@345;\n ETOH + OH = 0.95*ALD2 + 0.9*HO2 + 0.1*XO2H + 0.1*RO2 + 0.078*FORM \n + 0.011*GLYD # 3.00E-12@-20;\n KET = 0.5*ALD2 + 0.5*C2O3 + 0.5*XO2H + 0.5*CXO3 + 0.5*MEO2 + RO2 \n -2.5*PAR # 1.0/;\n ACET = 0.38*CO + 1.38*MEO2 + 1.38*RO2 + 0.62*C2O3 # 1.0/;\n ACET + OH = FORM + C2O3 + XO2 + RO2 # 1.41E-12@620.6;\n PRPA + OH = XPRP # 7.60E-12@585;\n PAR + OH = XPAR # 8.10E-13;\n ROR = 0.2*KET + 0.42*ACET + 0.74*ALD2 + 0.37*ALDX + 0.04*XO2N \n +0.94*XO2H + 0.98*RO2 + 0.02*ROR -2.7*PAR # 5.70E+12@5780;\n ROR + O2 = KET + HO2 # 1.50E-14@200;\n ROR + NO2 = NTR1 # 8.60E-12@-400;\n ETHY + OH = 0.7*GLY + 0.7*OH + 0.3*FACD + 0.3*CO +0.3*HO2 \n # 5.E-30^-1.5 & 1.00E-12 &0.37 &1.3;\n ETH + O = FORM + HO2 + CO + 0.7*XO2H + 0.7*RO2 + 0.3*OH # 1.04E-11@792;\n ETH + OH = XO2H + RO2 + 1.56*FORM + 0.22*GLYD \n # 8.60E-29^-3.1 & 9.00E-12^-0.85 &0.48 &1.15;\n ETH + O3 = FORM + 0.51*CO + 0.16*HO2 + 0.16*OH +0.37*FACD #9.1E-15@2580;\n ETH + NO3 = 0.5*NO2 + 0.5*NTR1 + 0.5*XO2H + 0.5*XO2 + RO2 + 1.125*FORM \n # 3.30E-12@2880;\n OLE + O = 0.2*ALD2 + 0.3*ALDX + 0.1*HO2 + 0.2*XO2H + 0.2*CO + 0.2*FORM \n + 0.01*XO2N + 0.21*RO2 + 0.2*PAR + 0.1*OH # 1.00E-11@280;\n OLE + OH = 0.781*FORM + 0.488*ALD2 + 0.488*ALDX + 0.976*XO2H + 0.195*XO2\n + 0.024*XO2N + 1.195*RO2 -0.73*PAR # 8.E-27^-3.5&3.00E-11^-1 &0.5 &1.13; \n OLE + O3 = 0.295*ALD2 + 0.555*FORM + 0.27*ALDX + 0.15*XO2H + 0.15*RO2 \n + 0.334*OH + 0.08*HO2 + 0.378*CO + 0.075*GLY + 0.075*MGLY \n + 0.09*FACD + 0.13*AACD + 0.04*H2O2 -0.79*PAR # 5.50E-15@1880;\n OLE + NO3 = 0.5*NO2 + 0.5*NTR1 + 0.48*XO2 + 0.48*XO2H + 0.04*XO2N \n + RO2 + 0.5*FORM + 0.25*ALD2 + 0.375*ALDX -1.0*PAR # 4.60E-13@1155;\n IOLE + O = 1.24*ALD2 + 0.66*ALDX + 0.1*XO2H + 0.1*RO2 + 0.1*CO + 0.1*PAR \n # 2.30E-11;\n IOLE + OH = 1.3*ALD2 + 0.7*ALDX + XO2H + RO2 # 1.05E-11@-519;\n IOLE + O3 = 0.732*ALD2 + 0.442*ALDX + 0.128*FORM + 0.245*CO + 0.5*OH \n + 0.3*XO2H + 0.3*RO2 + 0.24*GLY + 0.06*MGLY + 0.29*PAR \n + 0.08*AACD + 0.08*H2O2 # 4.70E-15@1013;\n IOLE + NO3 = 0.5*NO2 + 0.5*NTR1 + 0.48*XO2 + 0.48*XO2H + 0.04*XO2N \n + RO2 + 0.5*ALD2 + 0.625*ALDX + PAR # 3.70E-13;\n! added ISOPRXN to ISOP+OH\n ISOP + OH = ISO2 + RO2 + ISOPRXN # 2.70E-11@-390;\n ISOP + O = 0.75*ISPD + 0.5*FORM + 0.25*XO2 + 0.25*RO2 + 0.25*HO2 \n + 0.25*CXO3 + 0.25*PAR # 3.00E-11;\n ISO2 + NO = 0.1*INTR + 0.9*NO2 + 0.673*FORM + 0.9*ISPD + 0.818*HO2 \n + 0.082*XO2H + 0.082*RO2 # 2.39E-12@-365;\n ISO2 + HO2 = 0.88*ISPX + 0.12*OH + 0.12*HO2 + 0.12*FORM + 0.12*ISPD \n # 7.43E-13@-700;\n ISO2 + C2O3 = 0.598*FORM + 1.0*ISPD + 0.728*HO2 + 0.072*XO2H + 0.8*MEO2 \n + 0.2*AACD + 0.872*RO2 # 1.00E+0*K;\n ISO2 + RO2 = 0.598*FORM + 1.0*ISPD + 0.728*HO2 + 0.072*XO2H + 1.072*RO2 \n # 1.0*K;\n ISO2 = HO2 + HPLD # 3.30E+9@8300;\n ISOP + O3 = 0.6*FORM + 0.65*ISPD + 0.15*ALDX + 0.2*CXO3 + 0.35*PAR \n + 0.266*OH + 0.2*XO2 + 0.2*RO2 + 0.066*HO2 + 0.066*CO # 1.03E-14@1995;\n ISOP + NO3 = 0.35*NO2 + 0.65*NTR2 + 0.64*XO2H + 0.33*XO2 + 0.03*XO2N \n + RO2 + 0.35*FORM + 0.35*ISPD + ISOPRXN # 3.03E-12@448;\n ISPD + OH = 0.022*XO2N + 0.521*XO2 + 0.115*MGLY + 0.115*MEO2 \n + 0.269*GLYD + 0.269*C2O3 + 0.457*OPO3 + 0.117*PAR + 0.137*ACET\n + 0.137*CO + 0.137*HO2 + 0.658*RO2 # 5.58E-12@-511;\n ISPD + O3 = 0.04*ALD2 + 0.231*FORM + 0.531*MGLY + 0.17*GLY + 0.17*ACET \n + 0.543*CO + 0.461*OH + 0.15*FACD + 0.398*HO2 + 0.143*C2O3 # 3.88E-15@1770;\n ISPD + NO3 = 0.717*HNO3 + 0.142*NTR2 + 0.142*NO2 + 0.142*XO2 \n + 0.142*XO2H + 0.113*GLYD + 0.113*MGLY + 0.717*PAR \n + 0.717*CXO3 + 0.284*RO2 # 4.10E-12@1860;\n ISPD = 0.76*HO2 + 0.34*XO2H + 0.16*XO2 + 0.34*MEO2 + 0.208*C2O3 \n + 0.26*FORM + 0.24*OLE + 0.24*PAR + 0.17*ACET + 0.128*GLYD \n + 0.84*RO2 # 1.0/;\n ISPX + OH = 0.904*EPOX + 0.933*OH + 0.067*ISO2 + 0.067*RO2 + 0.029*IOLE \n + 0.029*ALDX # 2.23E-11@-372;\n HPLD = OH + ISPD # 1.0/;\n HPLD + NO3 = HNO3 + ISPD # 6.00E-12@1860;\n EPOX + OH = EPX2 + RO2 # 5.78E-11@400;\n EPX2 + HO2 = 0.275*GLYD + 0.275*GLY + 0.275*MGLY + 1.125*OH + 0.825*HO2 \n + 0.375*FORM + 0.074*FACD + 0.251*CO + 2.175*PAR # 7.43E-13@-700;\n EPX2 + NO = 0.275*GLYD + 0.275*GLY + 0.275*MGLY + 0.125*OH + 0.825*HO2 \n + 0.375*FORM + NO2 + 0.251*CO + 2.175*PAR # 2.39E-12@-365;\n EPX2 + C2O3 = 0.22*GLYD + 0.22*GLY + 0.22*MGLY + 0.1*OH + 0.66*HO2 \n + 0.3*FORM + 0.2*CO +1.74*PAR + 0.8*MEO2 + 0.2*AACD +0.8*RO2 # 1.0*K;\n EPX2 + RO2 = 0.275*GLYD + 0.275*GLY + 0.275*MGLY + 0.125*OH + 0.825*HO2 \n + 0.375*FORM + 0.251*CO + 2.175*PAR + RO2 # 1.0*K;\n INTR + OH = 0.63*XO2 + 0.37*XO2H + RO2 + 0.444*NO2 + 0.185*NO3 \n + 0.104*INTR + 0.592*FORM + 0.331*GLYD + 0.185*FACD + 2.7*PAR \n + 0.098*OLE + 0.078*ALDX + 0.266*NTR2 # 3.10E-11;\n! added TRPRXN to TERP+ O, OH, O3 and NO3\n TERP + O = 0.15*ALDX + 5.12*PAR + TRPRXN # 3.60E-11;\n TERP + OH = 0.75*XO2H + 0.5*XO2 + 0.25*XO2N + 1.5*RO2 + 0.28*FORM \n + 1.66*PAR + 0.47*ALDX + TRPRXN # 1.50E-11@-449;\n TERP + O3 = 0.57*OH + 0.07*XO2H + 0.69*XO2 + 0.18*XO2N + 0.94*RO2\n + 0.24*FORM + 0.001*CO + 7.0*PAR + 0.21*ALDX + 0.39*CXO3 \n + TRPRXN # 1.20E-15@821;\n TERP + NO3 = 0.47*NO2 + 0.28*XO2H + 0.75*XO2 + 0.25*XO2N + 1.28*RO2 \n + 0.47*ALDX + 0.53*NTR2 + 1.0*TERPNRO2 # 3.70E-12@-175;\n! Separate APIN (alpha-pinene)\n APIN + O = 0.15*ALDX + 5.12*PAR + TRPRXN # 3.60E-11;\n APIN + OH = 0.75*XO2H + 0.5*XO2 + 0.25*XO2N + 1.5*RO2 + 0.28*FORM \n + 1.66*PAR + 0.47*ALDX + TRPRXN # 1.50E-11@-449;\n APIN + O3 = 0.57*OH + 0.07*XO2H + 0.69*XO2 + 0.18*XO2N + 0.94*RO2\n + 0.24*FORM + 0.001*CO + 7.0*PAR + 0.21*ALDX + 0.39*CXO3 \n + TRPRXN # 1.20E-15@821;\n APIN + NO3 = 0.47*NO2 + 0.28*XO2H + 0.75*XO2 + 0.25*XO2N + 1.28*RO2 \n + 0.47*ALDX + 0.53*NTR2 # 3.70E-12@-175;\n! added BENZRO2 as tracer for SOA products from BENZENE - used later to account\n! for high vs. low NOx influence on SOA\n BENZENE + OH = 0.53*CRES + 0.352*BZO2 + 0.352*RO2 + 0.118*OPEN + 0.118*OH \n + 0.53*HO2 + BENZRO2 # 2.30E-12@190;\n BZO2 + NO = 0.918*NO2 + 0.082*NTR2 + 0.918*GLY + 0.918*OPEN + 0.918*HO2 \n # 2.70E-12@-360;\n BZO2 + C2O3 = GLY + OPEN + HO2 + MEO2 + RO2 # 1.0*K;\n BZO2 + HO2 = # 1.90E-13@-1300;\n BZO2 + RO2 = GLY + OPEN + HO2 + RO2 # 1.0*K;\n! added TOLRO2 tracer for SOA production - used at end of mechanism file to \n! account for low vs. high NOx dependance of SOA precursors (TOLRXN)\n TOL + OH = 0.18*CRES + 0.65*TO2 + 0.72*RO2 + 0.1*OPEN + 0.1*OH \n + 0.07*XO2H + 0.18*HO2 + TOLRO2 # 1.80E-12@-340;\n TO2 + NO = 0.86*NO2 + 0.14*NTR2 + 0.417*GLY + 0.443*MGLY + 0.66*OPEN \n + 0.2*XOPN + 0.86*HO2 # 2.70E-12@-360;\n TO2 + C2O3 = 0.48*GLY + 0.52*MGLY + 0.77*OPEN + 0.23*XOPN + HO2 + MEO2 \n + RO2 # 1.0*K;\n TO2 + HO2 = # 1.90E-13@-1300;\n TO2 + RO2 = 0.48*GLY + 0.52*MGLY + 0.77*OPEN + 0.23*XOPN + HO2 + RO2 \n # 1.0*K;\n! added XYLRO2 tracer for SOA production - used at end of mechanism file to \n! account for low vs. high NOx dependance of SOA precursors\n XYLMN + OH = 0.155*CRES + 0.544*XLO2 + 0.602*RO2 + 0.244*XOPN + 0.244*OH \n + 0.058*XO2H + 0.155*HO2 + XYLRO2 # 1.85E-11;\n NAPH + OH = 0.155*CRES + 0.544*XLO2 + 0.602*RO2 + 0.244*XOPN + 0.244*OH \n + 0.058*XO2H + 0.155*HO2 + PAHRO2 # 1.85E-11;\n XLO2 + NO = 0.86*NO2 + 0.14*NTR2 + 0.221*GLY + 0.675*MGLY + 0.3*OPEN \n + 0.56*XOPN + 0.86*HO2 # 2.70E-12@-360;\n XLO2 + HO2 = # 1.90E-13@-1300;\n XLO2 + C2O3 = 0.26*GLY + 0.77*MGLY + 0.35*OPEN + 0.65*XOPN + HO2 + MEO2 \n + RO2 # 1.0*K;\n XLO2 + RO2 = 0.26*GLY + 0.77*MGLY + 0.35*OPEN + 0.65*XOPN + HO2 + RO2 \n # 1.0*K;\n CRES + OH = 0.025*GLY + 0.025*OPEN + HO2 + 0.2*CRO + 0.732*CAT1 \n + 0.02*XO2N + 0.02*RO2 # 1.70E-12@-950;\n CRES + NO3 = 0.3*CRO + HNO3 + 0.48*XO2 + 0.12*XO2H + 0.24*GLY \n + 0.24*MGLY + 0.48*OPO3 + 0.1*XO2N + 0.7*RO2 # 1.40E-11;\n CRO + NO2 = CRON # 2.10E-12;\n CRO + HO2 = CRES # 5.50E-12;\n CRON + OH = NTR2 + 0.5*CRO # 1.53E-12;\n CRON + NO3 = NTR2 + 0.5*CRO + HNO3 # 3.80E-12;\n CRON = HONO + HO2 + FORM + OPEN # 1.0/;\n XOPN = 0.4*GLY + XO2H + 0.7*HO2 + 0.7*CO + 0.3*C2O3 #0.05/;\n XOPN + OH = MGLY + 0.4*GLY + 2.0*XO2H + 2.0*RO2 # 9.00E-11;\n XOPN + O3 = 1.2*MGLY + 0.5*OH + 0.6*C2O3 + 0.1*ALD2 + 0.5*CO + 0.3*XO2H \n + 0.3*RO2 # 1.08E-16@500;\n XOPN + NO3 = 0.5*NO2 + 0.5*NTR2 + 0.45*XO2H + 0.45*XO2 + 0.1*XO2N + RO2 \n + 0.25*OPEN + 0.25*MGLY # 3.00E-12;\n OPEN = OPO3 + HO2 + CO # 0.028/;\n OPEN + OH = 0.6*OPO3 + 0.4*XO2H + 0.4*RO2 + 0.4*GLY # 4.40E-11;\n OPEN + O3 = 1.4*GLY + 0.24*MGLY + 0.5*OH + 0.12*C2O3 + 0.08*FORM \n + 0.02*ALD2 + 1.98*CO + 0.56*HO2 # 5.40E-17@500;\n OPEN + NO3 = OPO3 + HNO3 # 3.80E-12;\n CAT1 + OH = 0.14*FORM + 0.2*HO2 + 0.5*CRO # 5.00E-11;\n CAT1 + NO3 = CRO + HNO3 # 1.70E-10;\n OPO3 + NO = NO2 + 0.5*GLY + 0.5*CO + 0.8*HO2 + 0.2*CXO3 # 1.00E-11;\n OPO3 + NO2 = OPAN # 1.00E+0*K;\n OPAN = OPO3 + NO2 # 1.00E+0*K;\n OPO3 + HO2 = 0.41*PACD + 0.15*AACD + 0.15*O3 + 0.44*ALDX + 0.44*XO2H \n + 0.44*RO2 + 0.44*OH # 1.00E+0*K;\n OPO3 + C2O3 = MEO2 + XO2 + ALDX + 2.0*RO2 # 1.00E+0*K;\n OPO3 + RO2 = 0.8*XO2H + 0.8*ALDX + 1.8*RO2 + 0.2*AACD # 1.00E+0*K;\n OPAN + OH = 0.5*NO2 + 0.5*GLY + CO + 0.5*NTR2 # 3.60E-11;\n PANX + OH = ALD2 + NO2 # 3.00E-12;\n!BK NTR2 = HNO3 # 2.30E-5;\n ECH4 + OH = MEO2 + RO2 # 1.85E-12@1690;\n XPRP = XO2N + RO2 # 2.37E-21 & 4.30E-01^-8.0 &0.41 &1.0;\n XPRP = 0.732*ACET + 0.268*ALDX + 0.268*PAR + XO2H\n + RO2 # 1.00E+00;\n XPAR = XO2N + RO2 # 4.81E-20 & 4.30E-01^-8.0 &0.41 &1.0;\n XPAR = 0.126*ALDX + 0.874*ROR + 0.126*XO2H + 0.874*XO2\n + RO2 -0.126*PAR # 1.00E+00;\n!\n! Chlorine reactions added from base CB05tucl and updated\n!\n\n CL2 = 2.000*CL # 1.0/;\n HOCL = OH + CL # 1.0/;\n\n CL + O3 = CLO # 2.3E-11 @ 200;\n CLO + CLO = 0.300*CL2 + 1.400*CL # 1.63E-14;\n CLO + NO = CL + NO2 # 6.4E-12 @ -290;\n CLO + HO2 = HOCL # 2.2E-12 @ -340;\n CLO + MEO2 = CL + FORM + HO2 # 3.2E-12@110;\n OH + FMCL = CL + CO # 5.0E-13;\n FMCL = CL + CO + HO2 # 1.0/;\n CL + CH4 = HCL + MEO2 + RO2 # 6.6E-12 @ 1240;\n CL + PAR = HCL + XPAR # 5.0E-11;\n CL + PRPA = HCL + ACET + 0.97*XO2H + 0.03*XO2N + RO2 # 1.4E-10;\n CL + ETHA = HCL\n + 0.991*ALD2\n + 0.991*XO2H\n + 0.009*XO2N\n + RO2 # 8.3-11 @ 100;\n CL + ETH = FMCL\n + 2.000*XO2\n + 1.000*HO2\n + 1.000*FORM # 1.07E-10;\n CL + OLE = FMCL\n + 0.330*ALD2\n + 0.670*ALDX\n + 2.000*XO2\n + 1.000*HO2\n - 1.000*PAR # 2.5E-10;\n CL + IOLE = 0.300*HCL\n + 0.700*FMCL\n + 0.450*ALD2\n + 0.550*ALDX\n + 0.300*OLE\n + 0.300*PAR\n + 1.700*XO2\n + 1.000*HO2 # 3.5E-10;\n CL + ISOP = FMCL + ISPD + 0.96*XO2H + 0.04*XO2N + RO2 # 4.3E-10;\n CL + FORM = HCL + 1.00*HO2 + 1.00*CO # 8.2E-11 @ 34;\n CL + ALD2 = HCL + 1.000*C2O3 # 7.9E-11;\n CL + ALDX = HCL + 1.000*CXO3 # 1.3E-10;\n CL + MEOH = HCL + 1.00*HO2 + 1.00*FORM # 5.5E-11;\n CL + ETOH = HCL + 1.00*HO2 + 1.00*ALD2 # 8.2E-11 @ -45;\n HCL + OH = CL # 6.58E-13^1.16 @ -58;\n\n CL + TOL = HCL + 0.18*CRES + 0.65*TO2 + 0.72*RO2 + 0.1*OPEN\n + 0.1*OH + 0.07*XO2H + 0.18*HO2 + TOLRO2 # 6.1E-11;\n CL + XYLMN = HCL + 0.155*CRES + 0.544*XLO2 + 0.602*RO2 + 0.244*XOPN\n + 0.244*OH + 0.058*XO2H + 0.155*HO2 + XYLRO2 # 1.2E-10;\n CL + NAPH = HCL + 0.155*CRES + 0.544*XLO2 + 0.602*RO2 + 0.244*XOPN\n + 0.244*OH + 0.058*XO2H + 0.155*HO2 + PAHRO2 # 1.2E-10;\n CLNO2 = CL + NO2 #1.0/;\n! add new reactions for chlorine nitrate\n CLO + NO2 = CLNO3 #1.8E-31^-3.4&1.5E-11^-1.9&0.6;\n! CLNO3 = CLO + NO2 #4.48E-5^-1.0@12530&3.71E+15^3.5@12530&0.6;\n CLNO3 = CLO + NO2 # 1.0/;\n CLNO3 = CL + NO3 # 1.0/;\n\n! heterogeneous reactions from CB05eh51\n\n CLNO3 = HOCL + HNO3 # 1.0~;\n\n! SOA counter species and semivolatiles formed\n TOLRO2 + NO = NO + 0.016*SVAVB2 + 0.051*SVAVB3 +\n 0.047*SVAVB4 # 2.70e-12@-360;\n TOLRO2 + HO2 = HO2 + 0.14*SVAVB1 # 1.90e-13@-1300;\n XYLRO2 + NO = NO + 0.015*SVAVB2 + 0.023*SVAVB3 +\n 0.06*SVAVB4 # 2.70e-12@-360;\n XYLRO2 + HO2 = HO2 + 0.193*SVAVB1 # 1.90e-13@-1300; \n BENZRO2 + NO = NO + 0.034*SVAVB2 + 0.392*SVAVB4 # 2.70e-12@-360;\n BENZRO2 + HO2 = HO2 + 0.146*SVAVB1 # 1.90e-13@-1300;\n SESQ + O3 = O3 + SESQRXN # 1.16E-14;\n SESQ + OH = OH + SESQRXN # 1.97E-10;\n SESQ + NO3 = NO3 + SESQRXN # 1.90E-11;\n PAHRO2 + NO = NO + 0.028*SVAVB2 + 0.225*SVAVB3 +\n 0.191*SVAVB4 # 2.70e-12@-360;\n PAHRO2 + HO2 = HO2 + 0.473*SVAVB1 # 1.90e-13@-1300;\n SOAALK + OH = OH + 0.006*SVAVB2 + 0.052*SVAVB3 + \n 0.081*SVAVB4 # 2.70e-12@-374;\n\n\n! iorganic heteorogeneous reactions from hetchem version 5.0.2\n! included F_NTR2_ON factor here, rather than in AEROSOL_CHEM.F\n\n NTR2 = HNO3 # 1.4~;\n\n N2O5 = HNO3 + H2NO3PIJ # 1.0~;\n N2O5 = HNO3 + H2NO3PK # 1.0~;\n\n H2NO3PIJ = HNO3 # 1.0~;\n H2NO3PK = HNO3 # 1.0~;\n\n H2NO3PIJ + ACLI = CLNO2 # 1.0~;\n H2NO3PIJ + ACLJ = CLNO2 # 1.0~;\n H2NO3PK + ACLK = CLNO2 # 1.0~;\n\n NO2 = 0.5*HONO + 0.5*HNO3 # 1.0~;\n\n! updated reaction rate \n O3 = %H # 6.7006E-11@-10.7435 & 3.4153E-08@0.6713\n & 2.0E-6;\n\n! heterogeneous acid-catalyzed uptake of isoprene-epoxydiols \n EPOX = IEPOXP # 1.0~;\n IEPOXP + ASO4J = AISO3J # 1.0~;\n IEPOXP = AISO3J # 1.0~;\n\n! GLY and MGLY uptake\n GLY = AGLYJ # 1.0~;\n MGLY = AGLYJ # 1.0~;\n\n! MTNO3 formation and reaction\n TERPNRO2 + NO = 1.0*NO + 0.688*MTNO3 # 2.60e-12@-380;\n TERPNRO2 + HO2 = 1.0*HO2 + 1.0*MTNO3 # 2.65e-13@-1300;\n TERPNRO2 + NO3 = 1.0*NO3 + 0.422*MTNO3 # 2.30e-12;\n! 50% alkoxy radical yield from TERPNRO2 + RO2\n TERPNRO2 + RO2 = 1.0*RO2 + 0.711*MTNO3 # 3.50e-14;\n! Reaction with OH, Cl is followed 50/50 by HO2 (N releasing) and NO (N retaining)\n MTNO3 + CL = CL + 0.37*MTNO3 # 1.92e-10;\n MTNO3 + OH = OH + 0.24*MTNO3 # 7.20e-12;\n! photolysis releases all nitrate\n MTNO3 = # 1.0/;\n\n! MTNO3 aerosol hydrolysis\n AMTNO3J = 1.00*AMTHYDJ #9.259E-5;\n\n! oligomerization reaction for secondary organic aerosols\n AAVB2J = 0.907*AOLGAJ # 9.48816E-6;\n AAVB3J = 0.925*AOLGAJ # 9.48816E-6;\n AAVB4J = 0.943*AOLGAJ # 9.48816E-6;\n AISO1J = 0.50*AOLGBJ # 9.48816E-6;\n AISO2J = 0.50*AOLGBJ # 9.48816E-6;\n ASQTJ = 1.50*AOLGBJ # 9.48816E-6;\n\n!aging reactions for primary organic carbon\n APOCI + OH = 1.25*APNCOMI + APOCI + OH # 2.5E-12;\n APNCOMI + OH = OH # 1.0~;\n APOCJ + OH = 1.25*APNCOMJ + APOCJ + OH # 2.5E-12;\n APNCOMJ + OH = OH # 1.0~;\n\n! Formation of Potential Combustion SOA (pcSOA)\n PCVOC + OH = OH + PCSOARXN # 1.25E-11;\n\n! Aging with Func. and Frag. (Donahue et al. 2012)\n VLVPO1 + OH = OH \n + 0.4857 * VLVPO1 + 0.0062 * VSVPO1\n + 0.0025 * VSVPO2 + 0.0026 * VSVPO3\n + 0.0023 * VIVPO1 + 0.2944 * VLVOO1\n + 0.2021 * VLVOO2 + 0.0019 * VSVOO2\n + 0.0023 * VSVOO3 #4.0e-11;\n VSVPO1 + OH = OH \n + 0.3003 * VLVPO1 + 0.2862 * VSVPO1\n + 0.0041 * VSVPO2 + 0.0035 * VSVPO3\n + 0.2239 * VLVOO1 + 0.1820 * VLVOO2 #4.0e-11;\n VSVPO2 + OH = OH \n + 0.3856 * VLVPO1 + 0.0950 * VSVPO1\n + 0.1373 * VSVPO2 + 0.0005 * VSVPO3\n + 0.2051 * VLVOO1 + 0.1764 * VLVOO2 #4.0e-11;\n VSVPO3 + OH = OH \n + 0.2181 * VLVPO1 + 0.3063 * VSVPO1\n + 0.0153 * VSVPO2 + 0.1043 * VSVPO3\n + 0.1893 * VLVOO1 + 0.1668 * VLVOO2 #4.0e-11;\n VIVPO1 + OH = OH \n + 0.2412 * VLVPO1 + 0.2089 * VSVPO1\n + 0.3000 * VSVPO2 + 0.2028 * VLVOO1\n + 0.0471 * VLVOO2 #4.0e-11;\n VLVOO1 + OH = OH \n + 0.6664 * VLVOO1 + 0.0143 * VLVOO2\n + 0.0123 * VSVOO1 + 0.1239 * VSVOO2\n + 0.1831 * VSVOO3 #4.0e-11;\n VLVOO2 + OH = OH \n + 0.2858 * VLVOO1 + 0.3931 * VLVOO2\n + 0.0139 * VSVOO1 + 0.1027 * VSVOO2\n + 0.2045 * VSVOO3 #4.0e-11;\n VSVOO1 + OH = OH \n + 0.3303 * VLVOO1 + 0.2272 * VLVOO2\n + 0.2607 * VSVOO1 + 0.0702 * VSVOO2\n + 0.1116 * VSVOO3 #4.0e-11;\n VSVOO2 + OH = OH \n + 0.3444 * VLVOO1 + 0.2749 * VLVOO2\n + 0.0491 * VSVOO1 + 0.2577 * VSVOO2\n + 0.0739 * VSVOO3 #4.0e-11;\n VSVOO3 + OH = OH \n + 0.3886 * VLVOO1 + 0.2421 * VLVOO2\n + 0.0640 * VSVOO1 + 0.0385 * VSVOO2\n + 0.2667 * VSVOO3 #4.0e-11; \n\n! MP extra species\n< T01> FORM_PRIMARY + OH = OH # 5.40E-12@-135;\n< T02> FORM_PRIMARY + NO3 = NO3 # 5.50E-16;\n< T03> FORM_PRIMARY + O = O # 3.4E-11 @ 1600;\n< T04> FORM_PRIMARY = # 1.0/;\n< T05> FORM_PRIMARY = # 1.0/;\n FORM_PRIMARY + CL = CL # 8.2E-11 @ 34;\n< T06> ALD2_PRIMARY + OH = OH # 4.70E-12@-345;\n< T07> ALD2_PRIMARY + NO3 = NO3 # 1.40E-12@1860;\n< T08> ALD2_PRIMARY + O = O # 1.8E-11 @ 1100;\n< T09> ALD2_PRIMARY = # 1.0/;\n ALD2_PRIMARY + CL = CL # 7.9E-11;\n< T10> BUTADIENE13 + OH = OH + 0.58*ACROLEIN # 1.48E-11@-448.;\n< T11> BUTADIENE13 + O3 = O3 + 0.52*ACROLEIN # 1.34E-14@2283.;\n< T12> BUTADIENE13 + NO3 = NO3 + 0.045*ACROLEIN # 1.79E-13;\n BUTADIENE13 + CL = CL + 0.58*ACROLEIN # 2.51E-10;\n< T13> ACRO_PRIMARY + OH = OH # 2.0E-11;\n< T14> ACRO_PRIMARY + O3 = O3 # 2.61E-19;\n< T15> ACRO_PRIMARY + NO3 = NO3 # 1.15E-15;\n< T16> ACRO_PRIMARY = # 1.0/;\n ACRO_PRIMARY + CL = CL # 2.37E-10;\n< T17> ACROLEIN + OH = OH # 2.0E-11;\n< T18> ACROLEIN + O3 = O3 # 2.61E-19;\n< T19> ACROLEIN + NO3 = NO3 # 1.15E-15;\n< T20> ACROLEIN = # 1.0/;\n ACROLEIN + CL = CL # 2.37E-10;\n< T21> TOLU + OH = OH # 1.80E-12@-340.;\n TOLU + CL = CL # 6.1E-11;\n HG + O3 = 0.5*HGIIAER + 0.5*HGIIGAS + O3 # 2.11E-18 @ 1256.5;\n HG + CL2 = HGIIGAS + CL2 # 2.6E-18;\n HG + H2O2 = HGIIGAS + H2O2 # 8.5E-19;\n HG + OH = 0.5*HGIIAER + 0.5*HGIIGAS + OH # 7.7E-14;\n HG + CL + M = 0.5*HG + 0.5*HGIIGAS + M + CL # 2.25E-33 @ -680.0;\n\n\nEND MECH\n\nCONSTANTS\n ATM_AIR = 1.0E+06\n ATM_H2 = 0.56\n ATM_N2 = 0.7808E+06\n ATM_O2 = 0.2095E+06\n ATM_CH4 = 1.85\nEND CONSTANTS\n\n" }, { "path": "CCTM/src/MECHS/cb6r3_ae7_aq/pa_cb6r3_ae7_aq.ctl", "content": "! for CB6_cl2\n!\nIRRTYPE = PARTIAL;\nDEFINE FAMILY NOX = NO + NO2;\nDEFINE FAMILY NTR = NTR1 +NTR2 +INTR;\nDEFINE FAMILY PANy = PAN +PANX +OPAN;\nDEFINE FAMILY NOZ = PAN +PANX +OPAN +HONO +PNA +2*N2O5 +NTR1 +NTR2 +INTR +HNO3\n +CLNO2 +CLNO3 +CRON;\nDEFINE FAMILY OX = O3 +NO2 +2*NO3 +O +O1D +PAN +3*N2O5 +PNA +PANX +OPAN;\nDEFINE FAMILY HOX = OH + HO2;\nDEFINE FAMILY aRO2s = C2O3 +CXO3 +OPO3;\nDEFINE FAMILY RO2s = MEO2 +XO2 +XO2H +XO2N +ISO2 +EPX2 +BZO2 +TO2\n +XLO2;\nDEFINE FAMILY aVOC = FORM +ALD2 +ALDX +PAR +ETHA +PRPA +MEOH +ETOH +ETH +OLE\n +IOLE +ACET +TOL +XYLMN +GLYD +GLY +MGLY +KET +CRON +NTR1 +OPEN +CAT1 +CRES\n +XOPN +NAPH;\nDEFINE FAMILY bVOC = ISOP + ISPD + INTR + HPLD + EPOX + TERP;\n!!=======================================================================\n! Reaction Sum Definitions \n!=======================================================================\n\nDEFINE CYCLE PANcyc = PAN;\nDEFINE CYCLE PANXcyc = PANX;\nDEFINE CYCLE OPANcyc = OPAN;\nDEFINE CYCLE PNAcyc = PNA;\nDEFINE RXNSUM PNAHO2cyc = 0.59* + - ;\nDEFINE RXNSUM HONOcyc = + 2.0* - 2.0* - - ;\nDEFINE RXNSUM NO3cyc = - ;\nDEFINE RXNSUM MEPXcyc = - 0.9*;\nDEFINE RXNSUM ROOHcyc = - - - ;\nDEFINE RXNSUM N2O5cyc = - ;\nDEFINE RXNSUM H2O2_OHcyc = - --;\nDEFINE RXNSUM HOXcyc = -;\nDEFINE RXNSUM HCO3cyc = - ;\nDEFINE RXNSUM CLNO3cyc = - ;\n!=======================================================================\n! IPR_OUTPUTS\n!=======================================================================\nIPR_OUTPUT O3 = CHEM+DDEP+CLDS+AERO+TRNM;\nIPR_OUTPUT HNO3 = CHEM+DDEP+CLDS+AERO;\nIPR_OUTPUT PAN = CHEM+DDEP+CLDS+AERO+TRNM;\nIPR_OUTPUT N2O5 = CHEM+DDEP+CLDS+AERO;\n\nDEFINE FAMILY EC = AECI + AECJ;\nIPR_OUTPUT EC = COAG + EMIS + HADV;\nIPR_OUTPUT ASO4J = COND + COAG + EMIS + CHEM + VDIF + CLDS;\nIPR_OUTPUT ASO4I = NPF + COND + COAG + EMIS + CHEM + VDIF +CLDS;\nIPR_OUTPUT NUMATKN;\n!IPR_OUTPUT NUMACC;\n!IPR_OUTPUT NUMCOR;\n!=======================================================================\n! IRR_OUTPUTS\n! OX prod and loss\n!\nIRR_OUTPUT OxPROD = NETP[OX];\nIRR_OUTPUT OxLOSS = NETL[OX];\nIRR_OUTPUT OxLOSSHAL = ;\n\n! factors influencing PAN and N2O5 concentrations\n!\nIRR_OUTPUT PANprod = PANcyc[POSONLY];\nIRR_OUTPUT PANloss= PANcyc[NEGONLY] + ;\n\n! RO2 fate\nIRR_OUTPUT RO2withNOtoNO2 = PROD[NO2] FROM [RO2s] AND [NO]\n+ PROD[NO2] FROM [aRO2s] AND [NO];\nIRR_OUTPUT RO2withNOtoNTR = PROD[NTR] FROM [RO2s] AND [NO];\nIRR_OUTPUT RO2withNO2toPAN = PROD[PANy] FROM [aRO2s] AND [NO2];\nIRR_OUTPUT RO2withHO2 = LOSS [RO2s] AND [HO2] + LOSS [aRO2s] AND [HO2];\nIRR_OUTPUT RO2withRO2 = LOSS [RO2s] AND [RO2] + LOSS [aRO2s] AND [RO2]\n + LOSS [RO2s] AND [aRO2s];\n! VOC fate\nIRR_OUTPUT aVOCwithOH = LOSS[aVOC] AND [OH];\nIRR_OUTPUT aVOCwithO3 = LOSS[aVOC] AND [O3];\nIRR_OUTPUT aVOCwithNO3 = LOSS[aVOC] AND [NO3];\nIRR_OUTPUT aVOCwithCL = LOSS[aVOC] AND [CL];\nIRR_OUTPUT bVOCwithOH = LOSS[bVOC] AND [OH];\nIRR_OUTPUT bVOCwithO3 = LOSS[bVOC] AND [O3];\nIRR_OUTPUT bVOCwithNO3 = LOSS[bVOC] AND [NO3];\nIRR_OUTPUT bVOCwithCL = LOSS[bVOC] AND [CL];\n\n! New radicals\n\nIRR_OUTPUT OHfrO1D = PROD [OH] FROM [O1D];\n!\nIRR_OUTPUT NewHOxfromHCHO =2.0*; \nIRR_OUTPUT NewHOxfromH2O2 =2.0*H2O2_OHcyc[POSONLY];\nIRR_OUTPUT NewHOxfromHONO = HONOcyc[NEGONLY]; \n! from photolysis not including HCHO\nIRR_OUTPUT NewHOxfromhv = + + 2.0* + 2.0* + \n + 1.59* + 2.0* + + 0.76* + + 0.7* \n + + ;\n! from O3+alkene reactions\nIRR_OUTPUT NewHOxfromO3 =0.32* + 0.414* + 0.5* +0.332*\n +0.859* +0.57* + 1.06*; \n\n! chlorine\nIRR_OUTPUT NewClrad = 2.0* + + + + ;\nIRR_OUTPUT ClfromCLNO2 = ;\nIRR_OUTPUT ClfromCLNO3 = ;\n\n! NOz production rates\n\nIRR_OUTPUT NOZfrNOX = PANcyc[POSONLY] + PANXcyc[POSONLY] + OPANcyc[POSONLY] \n + HONOcyc[POSONLY] + PNAcyc[POSONLY] + NO3cyc[POSONLY] + N2O5cyc[POSONLY]\n + CLNO3cyc[POSONLY] +PROD[NTR] FROM [NOX] + PROD[HNO3] FROM [NOX];\n! O3 production efficiency = p(O3)/p(NOz)= O3prod/NOZfromNOX\nIRR_OUTPUT O3prod = NETP[O3];\n\n! HNO3 formation pathways\nIRR_OUTPUT HNO3prod = PROD[HNO3];\nIRR_OUTPUT HNO3fromOHNO2 = ;\nIRR_OUTPUT HNO3fromhetNTR = ;\nIRR_OUTPUT HNO3fromN2O5 = + + \n +;\nIRR_OUTPUT HNO3fromNO3 = PROD[HNO3] FROM [NO3];\nIRR_OUTPUT HNO3frCLNO3 = ;\n\n! alkyl nitrate pathways\n!\nIRR_OUTPUT NTRprod = NETP[NTR];\nIRR_OUTPUT NTRfromISOP = PROD[NTR] FROM [ISOP] + PROD[NTR] FROM [ISPD];\nIRR_OUTPUT NTRfromTERP = PROD[NTR] FROM [TERP];\nIRR_OUTPUT XO2NfromISOP = PROD[XO2N] FROM [ISOP] + PROD[XO2N] FROM [ISPD];\nIRR_OUTPUT XO2NfromTERP = PROD[XO2N] FROM [TERP];\nIRR_OUTPUT XO2NfromALKx = PROD[XO2N] FROM [PAR];\nIRR_OUTPUT XO2Nprod = PROD[XO2N];\nIRR_OUTPUT NTRfromXO2N = PROD[NTR] FROM [XO2N];\n!\nENDPA;\n" }, { "path": "CCTM/src/MECHS/cb6r5_ae7_aq/AE_cb6r5_ae7_aq.nml", "content": "&AE_nml\n\nAE_SPECIES_DATA = \n \n!SPECIES ,MOLWT ,Aitken ,Accum ,Coarse ,OPTICS ,IC ,ICFAC ,BC ,BC_FAC ,DRYDEP SURR ,FAC ,WET-SCAV SURR ,FAC ,AE2AQ SURR ,TRNS ,DDEP ,WDEP ,CONC\n'ASO4' , 96.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'SO4' , 1 ,'SO4' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ANH4' , 18.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'NH4' , 1 ,'NH4' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ANO3' , 62.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'NO3' , 1 ,'NO3' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ANA' , 23.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'NA' , 1 ,'NA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ACL' , 35.50 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'CL' , 1 ,'CL' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AISO1' ,132.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AISO2' ,133.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASQT' ,273.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AORGC' ,177.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'AORGC' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AEC' , 12.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'EC' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AOTHR' ,200.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'PRI' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AFE' , 55.80 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'FE' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AAL' , 27.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'PRI' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASI' , 28.10 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'PRI' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ATI' , 47.90 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'PRI' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ACA' , 40.10 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'CA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMG' , 24.30 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'MG' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AK' , 39.10 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'K' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMN' , 54.90 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'MN' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ACORS' ,100.00 ,F ,F ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'ANTH' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASOIL' ,100.00 ,F ,F ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'SOIL' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'NUM' , 1.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VNUM' , 1 ,'NUM' , 1 ,'NUM' ,'Yes' ,'' ,'' ,'Yes',\n'SRF' , 1.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VSRF' , 1 ,'SRF' , 1 ,'SRF' ,'Yes' ,'' ,'' ,'Yes',\n'AORGH2O' , 18.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'H2O' , 1 ,'H2O' ,'Yes' ,'' ,'' ,'Yes',\n'AH2O' , 18.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'H2O' , 1 ,'H2O' ,'Yes' ,'' ,'' ,'Yes',\n'AH3OP' , 19.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'' ,-1 ,'' ,'Yes' ,'' ,'' ,'Yes',\n'ASEACAT' , 23.75 ,F ,F ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'SEAS' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AISO3' ,168.20 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AOLGA' ,206.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AOLGB' ,248.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AGLY' , 66.40 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMTNO3' ,231.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMTHYD' ,168.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'APOC' ,220.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes', \n'APNCOM' ,220.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes', \n'APCSO' ,170.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ALVPO1' ,218.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASVPO1' ,230.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASVPO2' ,241.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASVPO3' ,253.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AIVPO1' ,266.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ALVOO1' ,136.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ALVOO2' ,136.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASVOO1' ,135.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASVOO2' ,135.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASVOO3' ,134.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AAVB1' ,198.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AAVB2' ,179.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AAVB3' ,169.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AAVB4' ,158.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMT1' ,300.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMT2' ,200.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMT3' ,186.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMT4' ,184.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMT5' ,170.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMT6' ,168.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n/\n" }, { "path": "CCTM/src/MECHS/cb6r5_ae7_aq/CMAQ_Control_DESID_cb6r5_ae7_aq.nml", "content": "!------------------------------------------------------------------------------!\n! Emission Control Interface !\n! for the !\n! Detailed Emissions Scaling, Isolation, and Diagnostics (DESID) Module, !\n! part of the !\n! Community Multiscale Air Quality (CMAQ) Model !\n! developed and maintained by the !\n! Center for Environmental Measurement and Modeling (CEMM), !\n! Office of Research and Development (ORD) !\n! U.S. Environmental Protection Agency (USEPA) !\n! !\n! This namelist is consistent with CMAQv5.4 (Release AUGUST 2022) !\n! !\n! See CMAQ User's Guide Appendix B (https://github.com/USEPA/CMAQ/blob/main/ !\n! DOCS/Users_Guide/Appendix/CMAQ_UG_appendixB_emissions_control.md) !\n! and Murphy et al., Geoscientific Model Development, 14, 3407-3420, !\n! https://doi.org/10.5194/gmd-14-3407-2021, 2021. !\n!------------------------------------------------------------------------------!\n\n!------------------------------------------------------------------------------!\n! Emissions Scaling Rule Specification Component !\n! Each rule is presented as a row of inputs. The syntax of the !\n! emissions scaling rules is the following: !\n! EM_INSTR(I) = 'Region Label', 'Stream Label', 'Emission-Species', !\n! 'CMAQ-Species', 'Phase/Mode', 'Scale Factor', 'Basis', !\n! 'Operation' !\n! !\n! See the User's Guide for detailed definitions of each field. !\n! !\n! You may confirm the effect of the (default and custom) rules below by !\n! inspecting the processor-dependent log files (\"CTM_LOG_XXX...\") !\n! !\n! Note: If no rules are provided for a species, then there is no emission !\n! of that species. !\n!------------------------------------------------------------------------------!\n&Desid_ScalingVars\n Desid_Max_Rules = 2000\n/\n\n&Desid_Scaling\n Desid_Rules_nml =\n\n ! Region | Stream Label |Emission | CMAQ- |Phase/|Scale |Basis |Op \n ! Label | |Species | Species |Mode |Factor| | \n \n ! Gases \n 'EVERYWHERE', 'ALL' ,'NO2' ,'NO2' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'NO' ,'NO' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'HONO' ,'HONO' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'SO2' ,'SO2' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'NH3' ,'NH3' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'AACD' ,'AACD' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ALD2' ,'ALD2' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'FORM' ,'FORM' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'MEOH' ,'MEOH' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'FACD' ,'FACD' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'CO' ,'CO' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ALDX' ,'ALDX' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ETHA' ,'ETHA' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ETOH' ,'ETOH' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'KET' ,'KET' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PAR' ,'PAR' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ACET' ,'ACET' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PRPA' ,'PRPA' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ETHY' ,'ETHY' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ETH' ,'ETH' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'OLE' ,'OLE' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'IOLE' ,'IOLE' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ISOP' ,'ISOP' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'APIN' ,'APIN' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'TERP' ,'TERP' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'BENZ' ,'BENZENE' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'TOL' ,'TOL' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'XYLMN' ,'XYLMN' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'NAPH' ,'NAPH' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'CH4' ,'ECH4' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'CL2' ,'CL2' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'HCL' ,'HCL' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'SESQ' ,'SESQ' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'SOAALK' ,'SOAALK' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ACROLEIN','ACROLEIN' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ALD2_PRIMARY','ALD2_PRIMARY','GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'FORM_PRIMARY','FORM_PRIMARY','GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ACROLEIN','ACRO_PRIMARY','GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'BUTADIENE13','BUTADIENE13' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'SULF' ,'SULF' ,'GAS' ,0. ,'UNIT','a', \n\n ! Marine Halogen Chemistry\n 'EVERYWHERE', 'ALL' ,'DMS' ,'DMS' ,'GAS' ,1. ,'UNIT','a',\n\n ! Fine-Mode Aerosols\n 'EVERYWHERE', 'ALL' ,'SULF' ,'ASO4' ,'FINE' ,1. ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PSO4' ,'ASO4' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PNH4' ,'ANH4' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PNO3' ,'ANO3' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PCL' ,'ACL' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PNA' ,'ANA' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PEC' ,'AEC' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMOTHR' ,'AOTHR' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PFE' ,'AFE' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PAL' ,'AAL' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PSI' ,'ASI' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PTI' ,'ATI' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PCA' ,'ACA' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMG' ,'AMG' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PK' ,'AK' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMN' ,'AMN' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PH2O' ,'AH2O' ,'FINE' ,1. ,'UNIT','a', \n \n ! Coarse-Mode Inorganic Ions Scaling \n 'EVERYWHERE', 'ALL' ,'PMC' ,'ACORS' ,'COARSE',0.99675,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMC' ,'ASO4' ,'COARSE',0.001 ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMC' ,'ANO3' ,'COARSE',0.00048,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMC' ,'ACL' ,'COARSE',0.00145,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMC' ,'AH2O' ,'COARSE',0.00032,'UNIT','a', \n\n ! Fine-Mode Primary Organic Aerosol Scaling\n ! --> Nonvolatile POA\n 'EVERYWHERE', 'ALL' ,'POC' ,'APOC' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'APNCOM' ,'FINE',0. ,'MASS','a', \n ! --> Semivolatile POA (see CMAQ User's Guide Appendix B.2.2.1)\n 'EVERYWHERE', 'ALL' ,'POC' ,'VSVPO1' ,'GAS' ,0.045,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'VSVPO1' ,'GAS' ,0.045,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'POC' ,'VSVPO2' ,'GAS' ,0.14 ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'VSVPO2' ,'GAS' ,0.14 ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'POC' ,'VSVPO3' ,'GAS' ,0.18 ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'VSVPO3' ,'GAS' ,0.18 ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'POC' ,'VIVPO1' ,'GAS' ,0.50 ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'VIVPO1' ,'GAS' ,0.50 ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'POC' ,'ALVPO1' ,'FINE',0.09 ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'ALVPO1' ,'FINE',0.09 ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'POC' ,'ASVPO1' ,'FINE',0.045,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'ASVPO1' ,'FINE',0.045,'MASS','a', \n \n ! pcSOA is a CMAQ species introduced to account for missing pathways for SOA\n ! formation from combustion sources. It accounts for IVOC oxidation as well as \n ! other phenomena (Murphy et al., ACP, 2017). It was parameterized based on data\n ! primarily from Los Angeles, where vehicle exhaust continues to dominate.\n 'EVERYWHERE', 'ALL' ,'POC' ,'PCVOC' ,'GAS' ,6.579,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'PCVOC' ,'GAS' ,6.579,'MASS','a', \n\n ! However, the added pcSOA is probably inappropriate for Fire sources, especially\n ! in its current configuration. This pathway should be zeroed out for all fire\n ! and wood-burning related sources.\n 'EVERYWHERE', 'PT_FIRES' ,'ALL' ,'PCVOC' ,'GAS' ,0.0 ,'MASS','o', \n 'EVERYWHERE', 'PT_RXFIRES' ,'ALL' ,'PCVOC' ,'GAS' ,0.0 ,'MASS','o', \n 'EVERYWHERE', 'PT_WILDFIRES' ,'ALL' ,'PCVOC' ,'GAS' ,0.0 ,'MASS','o', \n 'EVERYWHERE', 'PT_AGFIRES' ,'ALL' ,'PCVOC' ,'GAS' ,0.0 ,'MASS','o', \n 'EVERYWHERE', 'PT_OTHFIRES' ,'ALL' ,'PCVOC' ,'GAS' ,0.0 ,'MASS','o', \n 'EVERYWHERE', 'PT_FIRES_MXCA','ALL' ,'PCVOC' ,'GAS' ,0.0 ,'MASS','o', \n 'EVERYWHERE', 'GR_RES_FIRES' ,'ALL' ,'PCVOC' ,'GAS' ,0.0 ,'MASS','o', \n \n ! Wind-Blown Dust and Sea Spray Scaling\n ! Fine Components\n 'EVERYWHERE', 'ALL' ,'PMFINE_LVPO1','ALVPO1' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_LVOO1','ALVOO1' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_SO4' ,'ASO4' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_NO3' ,'ANO3' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_CL' ,'ACL' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_NH4' ,'ANH4' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_NA' ,'ANA' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_CA' ,'ACA' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_MG' ,'AMG' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_K' ,'AK' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_FE' ,'AFE' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_AL' ,'AAL' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_SI' ,'ASI' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_TI' ,'ATI' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_MN' ,'AMN' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_H2O' ,'AH2O' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_OTHR' ,'AOTHR' ,'FINE',1. ,'UNIT','a', \n\n ! Wind-Blown Dust and Sea Spray Scaling\n ! Coarse Components \n 'EVERYWHERE', 'ALL' ,'PMCOARSE_SO4','ASO4' ,'COARSE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMCOARSE_NO3','ANO3' ,'COARSE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMCOARSE_CL' ,'ACL' ,'COARSE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMCOARSE_H2O','AH2O' ,'COARSE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMCOARSE_SOIL','ASOIL' ,'COARSE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMCOARSE_SEACAT','ASEACAT' ,'COARSE',1. ,'UNIT','a', \n \n/\n\n" }, { "path": "CCTM/src/MECHS/cb6r5_ae7_aq/CSQY_DATA_cb6r5_ae7_aq", "content": "Table for Mechanism = CB6R5_AE7_AQ \nNPHOTAB = 32\n!Individual rates listed below:\nNO2_IUPAC10 \nO3_O3P_IUPAC10 \nO3_O1D_IUPAC10 \nH2O2_IUPAC10 \nNO3NO2_06 \nNO3NO_06 \nN2O5_IUPAC10 \nHONO_IUPAC10 \nHNO3_IUPAC10 \nPNA_IUPAC10 \nPAN_IUPAC10 \nMEPX_IUPAC10 \nNTR_IUPAC10 \nFORM_R_IUPAC13 \nFORM_M_IUPAC13 \nALD2_R_IUPAC13 \nALDX_R_IUPAC13 \nGLYD_IUPAC13 \nGLY_R_IUPAC13 \nMGLY_IUPAC10 \nKET_IUPAC10 \nACET_IUPAC10 \nISPD \nHPALD \nCL2_IUPAC04 \nHOCL_IUPAC04 \nFMCL_IUPAC04 \nCLNO2_IUPAC13 \nCLONO2_1 \nCLONO2_2 \nIC3ONO2 \nACRO_09 \nNTEMP = 6\n! I TEMP( I ) K\n 1 210.00\n 2 230.00\n 3 250.00\n 4 270.00\n 5 290.00\n 6 310.00\n! Wavelength and Photolysis Rate Parameters for CMAQ In-Line Photolysis\n! calculation . The values are determined by averaging technique over the below\n! number of wavelength bins. The technique employs an approach used by the FASTJX\n! versions 6 and 7.\n!References:\n! 1) Bian, H. S. and Prather, M. J.: Fast-J2: accurate simulation of stratospheric\n! photolysis in global chemical models, J. Atmos. Chem., 41, 281-296\n doi:10.1023/A:1014980619462, 2002.\n! 2) Hsu, J. and Prather, M. J.: Stratospheric variability and tropospheric ozone,\n! J. Geophys. Res., 114, D06102, doi:10.1029/2008JD010942, 2009.\n! 3) Prather, M. J.: Fast-JX versions and utilities, available at:\n! http://www.ess.uci.edu/researchgrp/prather/scholar_software/fast-jx\n! (last accessed: 24 January 2014), 2014.\n! Wave bands and Solar Flux\n! \nN_INLINE_BAND = 7\n! I, START_WL_BIN(nm), EFFECT_WL_BIN_(nm), END_WL_BIN_(nm), photon_flux(cm-2*s-1), \n 1, 291.000, 294.590, 298.300, 5.8828E+14, \n 2, 298.300, 303.151, 307.500, 7.6354E+14, \n 3, 307.500, 310.007, 312.500, 5.0412E+14, \n 4, 312.500, 316.434, 320.300, 8.9628E+14, \n 5, 320.300, 333.076, 345.000, 3.8537E+15, \n 6, 345.000, 381.997, 412.500, 1.5457E+16, \n 7, 412.500, 607.723, 850.000, 2.1307E+17, \n!... CS = absorption cross sections averaged over UCI Solar Flux\n!... QY = quantum yields averaged over UCI Solar Flux\n!... EQY = eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n!PHOTAB QUANTITY TEMP WBIN( 1) WBIN( 2) WBIN( 3) WBIN( 4) WBIN( 5) WBIN( 6) WBIN( 7)\nNO2_IUPAC10 CS 210.000 9.420958E-20 1.354622E-19 1.774391E-19 2.174503E-19 3.547179E-19 5.767915E-19 3.786790E-21\nNO2_IUPAC10 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 7.963594E-01 4.393946E-02\nNO2_IUPAC10 CS 230.000 9.434513E-20 1.353973E-19 1.770686E-19 2.162921E-19 3.512878E-19 5.752929E-19 3.777024E-21\nNO2_IUPAC10 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 7.963594E-01 4.393946E-02\nNO2_IUPAC10 CS 250.000 9.461621E-20 1.352675E-19 1.763276E-19 2.139758E-19 3.444275E-19 5.722957E-19 3.757493E-21\nNO2_IUPAC10 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 7.971660E-01 4.545939E-02\nNO2_IUPAC10 CS 270.000 9.488729E-20 1.351377E-19 1.755867E-19 2.116595E-19 3.375671E-19 5.692984E-19 3.737961E-21\nNO2_IUPAC10 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 8.052323E-01 6.065865E-02\nNO2_IUPAC10 CS 290.000 9.515838E-20 1.350079E-19 1.748457E-19 2.093432E-19 3.307068E-19 5.663012E-19 3.718430E-21\nNO2_IUPAC10 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 8.132986E-01 7.585791E-02\nNO2_IUPAC10 CS 310.000 9.521259E-20 1.349819E-19 1.746975E-19 2.088799E-19 3.293347E-19 5.657017E-19 3.714523E-21\nNO2_IUPAC10 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 8.165251E-01 8.193760E-02\nO3_O3P_IUPAC10 CS 210.000 8.051318E-19 2.408910E-19 9.055385E-20 3.615927E-20 4.571664E-21 4.615212E-23 1.523765E-21\nO3_O3P_IUPAC10 EQY 210.000 1.000000E-01 1.027219E-01 4.447545E-01 8.027972E-01 8.946853E-01 9.211782E-01 9.999820E-01\nO3_O3P_IUPAC10 CS 230.000 8.171868E-19 2.460948E-19 9.334247E-20 3.770529E-20 4.888574E-21 4.615212E-23 1.523765E-21\nO3_O3P_IUPAC10 EQY 230.000 1.000000E-01 1.027219E-01 4.402074E-01 8.051998E-01 8.946853E-01 9.211782E-01 9.999820E-01\nO3_O3P_IUPAC10 CS 250.000 8.372787E-19 2.547678E-19 9.799016E-20 4.028199E-20 5.416759E-21 4.615212E-23 1.523765E-21\nO3_O3P_IUPAC10 EQY 250.000 1.000000E-01 1.027219E-01 4.327254E-01 8.061814E-01 8.946853E-01 9.211782E-01 9.999820E-01\nO3_O3P_IUPAC10 CS 270.000 8.573704E-19 2.634407E-19 1.026379E-19 4.285869E-20 5.944944E-21 4.615212E-23 1.523765E-21\nO3_O3P_IUPAC10 EQY 270.000 1.000000E-01 1.027219E-01 4.200289E-01 8.006186E-01 8.946853E-01 9.211782E-01 9.999820E-01\nO3_O3P_IUPAC10 CS 290.000 8.774622E-19 2.721137E-19 1.072856E-19 4.543539E-20 6.473128E-21 4.615212E-23 1.523765E-21\nO3_O3P_IUPAC10 EQY 290.000 1.000000E-01 1.027219E-01 3.979119E-01 7.767363E-01 8.946853E-01 9.211782E-01 9.999820E-01\nO3_O3P_IUPAC10 CS 310.000 8.804761E-19 2.734146E-19 1.079827E-19 4.582189E-20 6.552356E-21 4.615212E-23 1.523765E-21\nO3_O3P_IUPAC10 EQY 310.000 1.000000E-01 1.027219E-01 3.582713E-01 7.092118E-01 8.946853E-01 9.211782E-01 9.999820E-01\nO3_O1D_IUPAC10 CS 210.000 8.051318E-19 2.408910E-19 9.055385E-20 3.615927E-20 4.571664E-21 4.615212E-23 1.523765E-21\nO3_O1D_IUPAC10 EQY 210.000 9.000000E-01 8.972781E-01 5.552455E-01 1.972028E-01 1.053147E-01 7.882178E-02 1.800060E-05\nO3_O1D_IUPAC10 CS 230.000 8.171868E-19 2.460948E-19 9.334247E-20 3.770529E-20 4.888574E-21 4.615212E-23 1.523765E-21\nO3_O1D_IUPAC10 EQY 230.000 9.000000E-01 8.972781E-01 5.597926E-01 1.948002E-01 1.053147E-01 7.882178E-02 1.800060E-05\nO3_O1D_IUPAC10 CS 250.000 8.372787E-19 2.547678E-19 9.799016E-20 4.028199E-20 5.416759E-21 4.615212E-23 1.523765E-21\nO3_O1D_IUPAC10 EQY 250.000 9.000000E-01 8.972781E-01 5.672746E-01 1.938186E-01 1.053147E-01 7.882178E-02 1.800060E-05\nO3_O1D_IUPAC10 CS 270.000 8.573704E-19 2.634407E-19 1.026379E-19 4.285869E-20 5.944944E-21 4.615212E-23 1.523765E-21\nO3_O1D_IUPAC10 EQY 270.000 9.000000E-01 8.972781E-01 5.799711E-01 1.993814E-01 1.053147E-01 7.882178E-02 1.800060E-05\nO3_O1D_IUPAC10 CS 290.000 8.774622E-19 2.721137E-19 1.072856E-19 4.543539E-20 6.473128E-21 4.615212E-23 1.523765E-21\nO3_O1D_IUPAC10 EQY 290.000 9.000000E-01 8.972781E-01 6.020881E-01 2.232637E-01 1.053147E-01 7.882178E-02 1.800060E-05\nO3_O1D_IUPAC10 CS 310.000 8.804761E-19 2.734146E-19 1.079827E-19 4.582189E-20 6.552356E-21 4.615212E-23 1.523765E-21\nO3_O1D_IUPAC10 EQY 310.000 9.000000E-01 8.972781E-01 6.417287E-01 2.907882E-01 1.053147E-01 7.882178E-02 1.800060E-05\nH2O2_IUPAC10 CS 210.000 9.663063E-21 5.877752E-21 3.837687E-21 2.660469E-21 1.015675E-21 5.105271E-23 0.000000E+00\nH2O2_IUPAC10 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.986846E-01 0.000000E+00\nH2O2_IUPAC10 CS 230.000 9.802651E-21 5.987925E-21 3.927030E-21 2.734720E-21 1.056133E-21 5.105271E-23 0.000000E+00\nH2O2_IUPAC10 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.986846E-01 0.000000E+00\nH2O2_IUPAC10 CS 250.000 9.991126E-21 6.136684E-21 4.047665E-21 2.834977E-21 1.110760E-21 5.105271E-23 0.000000E+00\nH2O2_IUPAC10 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.986846E-01 0.000000E+00\nH2O2_IUPAC10 CS 270.000 1.023066E-20 6.325741E-21 4.200981E-21 2.962393E-21 1.180187E-21 5.105271E-23 0.000000E+00\nH2O2_IUPAC10 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.986846E-01 0.000000E+00\nH2O2_IUPAC10 CS 290.000 1.052111E-20 6.554984E-21 4.386883E-21 3.116892E-21 1.264370E-21 5.105271E-23 0.000000E+00\nH2O2_IUPAC10 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.986846E-01 0.000000E+00\nH2O2_IUPAC10 CS 310.000 1.086042E-20 6.822793E-21 4.604061E-21 3.297382E-21 1.362715E-21 5.105271E-23 0.000000E+00\nH2O2_IUPAC10 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.986846E-01 0.000000E+00\nNO3NO2_06 CS 210.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 5.262113E-21 1.613590E-18\nNO3NO2_06 EQY 210.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00 5.942736E-01\nNO3NO2_06 CS 230.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.993950E-21 1.531360E-18\nNO3NO2_06 EQY 230.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00 6.050572E-01\nNO3NO2_06 CS 250.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.713711E-21 1.445427E-18\nNO3NO2_06 EQY 250.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00 6.142171E-01\nNO3NO2_06 CS 270.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.425707E-21 1.357113E-18\nNO3NO2_06 EQY 270.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00 6.233770E-01\nNO3NO2_06 CS 290.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.133394E-21 1.267477E-18\nNO3NO2_06 EQY 290.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00 6.325368E-01\nNO3NO2_06 CS 310.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 3.839497E-21 1.177355E-18\nNO3NO2_06 EQY 310.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00 6.362008E-01\nNO3NO_06 CS 210.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 5.262113E-21 1.613590E-18\nNO3NO_06 EQY 210.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 8.130509E-02\nNO3NO_06 CS 230.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.993950E-21 1.531360E-18\nNO3NO_06 EQY 230.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 8.048424E-02\nNO3NO_06 CS 250.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.713711E-21 1.445427E-18\nNO3NO_06 EQY 250.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 8.024673E-02\nNO3NO_06 CS 270.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.425707E-21 1.357113E-18\nNO3NO_06 EQY 270.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 8.000923E-02\nNO3NO_06 CS 290.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.133394E-21 1.267477E-18\nNO3NO_06 EQY 290.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 7.977173E-02\nNO3NO_06 CS 310.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 3.839497E-21 1.177355E-18\nNO3NO_06 EQY 310.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 7.967671E-02\nN2O5_IUPAC10 CS 210.000 5.286138E-20 3.282404E-20 2.191359E-20 1.511474E-20 6.060293E-21 6.152397E-22 0.000000E+00\nN2O5_IUPAC10 EQY 210.000 9.185266E-01 9.975538E-01 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nN2O5_IUPAC10 CS 230.000 5.286896E-20 3.282982E-20 2.191831E-20 1.511860E-20 6.062690E-21 6.157666E-22 0.000000E+00\nN2O5_IUPAC10 EQY 230.000 9.185266E-01 9.975538E-01 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nN2O5_IUPAC10 CS 250.000 5.287533E-20 3.283467E-20 2.192227E-20 1.512185E-20 6.064704E-21 6.162096E-22 0.000000E+00\nN2O5_IUPAC10 EQY 250.000 9.185266E-01 9.975538E-01 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nN2O5_IUPAC10 CS 270.000 5.288076E-20 3.283881E-20 2.192564E-20 1.512461E-20 6.066420E-21 6.165872E-22 0.000000E+00\nN2O5_IUPAC10 EQY 270.000 9.185266E-01 9.975538E-01 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nN2O5_IUPAC10 CS 290.000 5.288543E-20 3.284238E-20 2.192855E-20 1.512700E-20 6.067900E-21 6.169129E-22 0.000000E+00\nN2O5_IUPAC10 EQY 290.000 9.185266E-01 9.975538E-01 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nN2O5_IUPAC10 CS 310.000 5.288754E-20 3.284398E-20 2.192985E-20 1.512807E-20 6.068566E-21 6.170595E-22 0.000000E+00\nN2O5_IUPAC10 EQY 310.000 9.185266E-01 9.975538E-01 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHONO_IUPAC10 CS 210.000 1.874562E-20 6.161052E-21 1.172420E-20 2.303942E-20 8.731945E-20 7.564806E-20 0.000000E+00\nHONO_IUPAC10 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.999840E-01 0.000000E+00\nHONO_IUPAC10 CS 230.000 1.874562E-20 6.161052E-21 1.172420E-20 2.303942E-20 8.731945E-20 7.564806E-20 0.000000E+00\nHONO_IUPAC10 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.999840E-01 0.000000E+00\nHONO_IUPAC10 CS 250.000 1.874562E-20 6.161052E-21 1.172420E-20 2.303942E-20 8.731945E-20 7.564806E-20 0.000000E+00\nHONO_IUPAC10 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.999840E-01 0.000000E+00\nHONO_IUPAC10 CS 270.000 1.874562E-20 6.161052E-21 1.172420E-20 2.303942E-20 8.731945E-20 7.564806E-20 0.000000E+00\nHONO_IUPAC10 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.999840E-01 0.000000E+00\nHONO_IUPAC10 CS 290.000 1.874562E-20 6.161052E-21 1.172420E-20 2.303942E-20 8.731945E-20 7.564806E-20 0.000000E+00\nHONO_IUPAC10 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.999840E-01 0.000000E+00\nHONO_IUPAC10 CS 310.000 1.874562E-20 6.161052E-21 1.172420E-20 2.303942E-20 8.731945E-20 7.564806E-20 0.000000E+00\nHONO_IUPAC10 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.999840E-01 0.000000E+00\nHNO3_IUPAC10 CS 210.000 4.166234E-21 1.877995E-21 7.805607E-22 3.243519E-22 2.838103E-23 3.550938E-25 0.000000E+00\nHNO3_IUPAC10 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.983369E-01 0.000000E+00\nHNO3_IUPAC10 CS 230.000 4.388597E-21 2.011394E-21 8.503601E-22 3.623056E-22 3.431827E-23 3.587909E-25 0.000000E+00\nHNO3_IUPAC10 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.983369E-01 0.000000E+00\nHNO3_IUPAC10 CS 250.000 4.622829E-21 2.154269E-21 9.264013E-22 4.047005E-22 4.149756E-23 3.625265E-25 0.000000E+00\nHNO3_IUPAC10 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.983369E-01 0.000000E+00\nHNO3_IUPAC10 CS 270.000 4.869561E-21 2.307292E-21 1.009242E-21 4.520562E-22 5.017875E-23 3.663011E-25 0.000000E+00\nHNO3_IUPAC10 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.983369E-01 0.000000E+00\nHNO3_IUPAC10 CS 290.000 5.129463E-21 2.471185E-21 1.099491E-21 5.049532E-22 6.067601E-23 3.701149E-25 0.000000E+00\nHNO3_IUPAC10 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.983369E-01 0.000000E+00\nHNO3_IUPAC10 CS 310.000 5.403236E-21 2.646719E-21 1.197810E-21 5.640399E-22 7.336928E-23 3.739684E-25 0.000000E+00\nHNO3_IUPAC10 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.983369E-01 0.000000E+00\nPNA_IUPAC10 CS 210.000 2.768231E-20 1.086640E-20 4.753695E-21 2.705257E-21 3.427064E-22 0.000000E+00 0.000000E+00\nPNA_IUPAC10 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.993055E-01 0.000000E+00 0.000000E+00\nPNA_IUPAC10 CS 230.000 2.825610E-20 1.126199E-20 5.012977E-21 2.902247E-21 3.888219E-22 0.000000E+00 0.000000E+00\nPNA_IUPAC10 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.993055E-01 0.000000E+00 0.000000E+00\nPNA_IUPAC10 CS 250.000 2.908251E-20 1.183175E-20 5.386413E-21 3.185963E-21 4.552405E-22 0.000000E+00 0.000000E+00\nPNA_IUPAC10 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.993055E-01 0.000000E+00 0.000000E+00\nPNA_IUPAC10 CS 270.000 3.019241E-20 1.259695E-20 5.887948E-21 3.567003E-21 5.444426E-22 0.000000E+00 0.000000E+00\nPNA_IUPAC10 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.993055E-01 0.000000E+00 0.000000E+00\nPNA_IUPAC10 CS 290.000 3.160436E-20 1.357040E-20 6.525974E-21 4.051742E-21 6.579210E-22 0.000000E+00 0.000000E+00\nPNA_IUPAC10 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.993055E-01 0.000000E+00 0.000000E+00\nPNA_IUPAC10 CS 310.000 3.332532E-20 1.475689E-20 7.303630E-21 4.642564E-21 7.962334E-22 0.000000E+00 0.000000E+00\nPNA_IUPAC10 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.993055E-01 0.000000E+00 0.000000E+00\nPAN_IUPAC10 CS 210.000 1.945595E-21 7.375681E-22 3.339314E-22 1.711848E-22 3.676151E-23 1.420572E-24 0.000000E+00\nPAN_IUPAC10 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.982885E-01 0.000000E+00\nPAN_IUPAC10 CS 230.000 2.279872E-21 8.774045E-22 4.009705E-22 2.076227E-22 4.614925E-23 1.435982E-24 0.000000E+00\nPAN_IUPAC10 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.982885E-01 0.000000E+00\nPAN_IUPAC10 CS 250.000 2.671583E-21 1.043752E-21 4.814681E-22 2.518166E-22 5.793432E-23 1.451559E-24 0.000000E+00\nPAN_IUPAC10 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.982885E-01 0.000000E+00\nPAN_IUPAC10 CS 270.000 3.130594E-21 1.241639E-21 5.781261E-22 3.054176E-22 7.272892E-23 1.467305E-24 0.000000E+00\nPAN_IUPAC10 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.982885E-01 0.000000E+00\nPAN_IUPAC10 CS 290.000 3.668470E-21 1.477042E-21 6.941890E-22 3.704279E-22 9.130162E-23 1.483222E-24 0.000000E+00\nPAN_IUPAC10 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.982885E-01 0.000000E+00\nPAN_IUPAC10 CS 310.000 4.298759E-21 1.757076E-21 8.335523E-22 4.492761E-22 1.146172E-22 1.499311E-24 0.000000E+00\nPAN_IUPAC10 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.982885E-01 0.000000E+00\nMEPX_IUPAC10 CS 210.000 6.280529E-21 4.060546E-21 2.741565E-21 1.980587E-21 8.228210E-22 5.779768E-23 0.000000E+00\nMEPX_IUPAC10 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.995850E-01 0.000000E+00\nMEPX_IUPAC10 CS 230.000 6.280529E-21 4.060546E-21 2.741565E-21 1.980587E-21 8.228210E-22 5.779768E-23 0.000000E+00\nMEPX_IUPAC10 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.995850E-01 0.000000E+00\nMEPX_IUPAC10 CS 250.000 6.280529E-21 4.060546E-21 2.741565E-21 1.980587E-21 8.228210E-22 5.779768E-23 0.000000E+00\nMEPX_IUPAC10 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.995850E-01 0.000000E+00\nMEPX_IUPAC10 CS 270.000 6.280529E-21 4.060546E-21 2.741565E-21 1.980587E-21 8.228210E-22 5.779768E-23 0.000000E+00\nMEPX_IUPAC10 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.995850E-01 0.000000E+00\nMEPX_IUPAC10 CS 290.000 6.280529E-21 4.060546E-21 2.741565E-21 1.980587E-21 8.228210E-22 5.779768E-23 0.000000E+00\nMEPX_IUPAC10 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.995850E-01 0.000000E+00\nMEPX_IUPAC10 CS 310.000 6.280529E-21 4.060546E-21 2.741565E-21 1.980587E-21 8.228210E-22 5.779768E-23 0.000000E+00\nMEPX_IUPAC10 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.995850E-01 0.000000E+00\nNTR_IUPAC10 CS 210.000 1.076218E-20 5.464268E-21 2.614017E-21 1.242460E-21 1.566121E-22 1.627988E-24 0.000000E+00\nNTR_IUPAC10 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.998643E-01 0.000000E+00\nNTR_IUPAC10 CS 230.000 1.076218E-20 5.464268E-21 2.614017E-21 1.242460E-21 1.566121E-22 1.627988E-24 0.000000E+00\nNTR_IUPAC10 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.998643E-01 0.000000E+00\nNTR_IUPAC10 CS 250.000 1.128924E-20 5.792141E-21 2.800412E-21 1.353672E-21 1.751516E-22 1.627988E-24 0.000000E+00\nNTR_IUPAC10 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.998643E-01 0.000000E+00\nNTR_IUPAC10 CS 270.000 1.242207E-20 6.508089E-21 3.214023E-21 1.606851E-21 2.190747E-22 1.627988E-24 0.000000E+00\nNTR_IUPAC10 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.998643E-01 0.000000E+00\nNTR_IUPAC10 CS 290.000 1.366857E-20 7.312533E-21 3.688722E-21 1.907382E-21 2.740124E-22 1.627988E-24 0.000000E+00\nNTR_IUPAC10 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.998643E-01 0.000000E+00\nNTR_IUPAC10 CS 310.000 1.504015E-20 8.216412E-21 4.233534E-21 2.264122E-21 3.427270E-22 1.627988E-24 0.000000E+00\nNTR_IUPAC10 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.998643E-01 0.000000E+00\nFORM_R_IUPAC13 CS 210.000 3.183341E-20 3.299377E-20 1.538316E-20 3.249054E-20 1.927902E-20 7.819422E-22 0.000000E+00\nFORM_R_IUPAC13 EQY 210.000 7.325943E-01 7.020468E-01 6.968195E-01 6.939636E-01 2.062342E-01 4.642611E-03 0.000000E+00\nFORM_R_IUPAC13 CS 230.000 3.180326E-20 3.299156E-20 1.537452E-20 3.251374E-20 1.929003E-20 7.814351E-22 0.000000E+00\nFORM_R_IUPAC13 EQY 230.000 7.325943E-01 7.020468E-01 6.968195E-01 6.939636E-01 2.062342E-01 4.642611E-03 0.000000E+00\nFORM_R_IUPAC13 CS 250.000 3.177310E-20 3.298936E-20 1.536589E-20 3.253694E-20 1.930104E-20 7.809278E-22 0.000000E+00\nFORM_R_IUPAC13 EQY 250.000 7.325943E-01 7.020468E-01 6.968195E-01 6.939636E-01 2.062342E-01 4.642611E-03 0.000000E+00\nFORM_R_IUPAC13 CS 270.000 3.174294E-20 3.298716E-20 1.535726E-20 3.256014E-20 1.931205E-20 7.804207E-22 0.000000E+00\nFORM_R_IUPAC13 EQY 270.000 7.325943E-01 7.020468E-01 6.968195E-01 6.939636E-01 2.062342E-01 4.642611E-03 0.000000E+00\nFORM_R_IUPAC13 CS 290.000 3.171278E-20 3.298495E-20 1.534863E-20 3.258335E-20 1.932306E-20 7.799134E-22 0.000000E+00\nFORM_R_IUPAC13 EQY 290.000 7.325943E-01 7.020468E-01 6.968195E-01 6.939636E-01 2.062342E-01 4.642611E-03 0.000000E+00\nFORM_R_IUPAC13 CS 310.000 3.169770E-20 3.298385E-20 1.534431E-20 3.259494E-20 1.932857E-20 7.796598E-22 0.000000E+00\nFORM_R_IUPAC13 EQY 310.000 7.325943E-01 7.020468E-01 6.968195E-01 6.939636E-01 2.062342E-01 4.642611E-03 0.000000E+00\nFORM_M_IUPAC13 CS 210.000 3.183341E-20 3.299377E-20 1.538316E-20 3.249054E-20 1.927902E-20 7.819422E-22 0.000000E+00\nFORM_M_IUPAC13 EQY 210.000 2.674058E-01 2.979532E-01 3.031805E-01 3.060364E-01 6.197889E-01 3.249540E-01 0.000000E+00\nFORM_M_IUPAC13 CS 230.000 3.180326E-20 3.299156E-20 1.537452E-20 3.251374E-20 1.929003E-20 7.814351E-22 0.000000E+00\nFORM_M_IUPAC13 EQY 230.000 2.674058E-01 2.979532E-01 3.031805E-01 3.060364E-01 6.151104E-01 3.123051E-01 0.000000E+00\nFORM_M_IUPAC13 CS 250.000 3.177310E-20 3.298936E-20 1.536589E-20 3.253694E-20 1.930104E-20 7.809278E-22 0.000000E+00\nFORM_M_IUPAC13 EQY 250.000 2.674058E-01 2.979532E-01 3.031805E-01 3.060364E-01 6.054386E-01 2.893018E-01 0.000000E+00\nFORM_M_IUPAC13 CS 270.000 3.174294E-20 3.298716E-20 1.535726E-20 3.256014E-20 1.931205E-20 7.804207E-22 0.000000E+00\nFORM_M_IUPAC13 EQY 270.000 2.674058E-01 2.979532E-01 3.031805E-01 3.060364E-01 5.955116E-01 2.692139E-01 0.000000E+00\nFORM_M_IUPAC13 CS 290.000 3.171278E-20 3.298495E-20 1.534863E-20 3.258335E-20 1.932306E-20 7.799134E-22 0.000000E+00\nFORM_M_IUPAC13 EQY 290.000 2.674058E-01 2.979532E-01 3.031805E-01 3.060364E-01 5.853828E-01 2.515744E-01 0.000000E+00\nFORM_M_IUPAC13 CS 310.000 3.169770E-20 3.298385E-20 1.534431E-20 3.259494E-20 1.932857E-20 7.796598E-22 0.000000E+00\nFORM_M_IUPAC13 EQY 310.000 2.674058E-01 2.979532E-01 3.031805E-01 3.060364E-01 5.802345E-01 2.435120E-01 0.000000E+00\nALD2_R_IUPAC13 CS 210.000 4.432586E-20 3.717937E-20 2.933103E-20 2.105459E-20 5.353235E-21 1.388418E-23 0.000000E+00\nALD2_R_IUPAC13 EQY 210.000 5.721845E-01 4.517220E-01 3.206589E-01 1.785219E-01 3.513154E-02 0.000000E+00 0.000000E+00\nALD2_R_IUPAC13 CS 230.000 4.432586E-20 3.717937E-20 2.933103E-20 2.105459E-20 5.353235E-21 1.388418E-23 0.000000E+00\nALD2_R_IUPAC13 EQY 230.000 5.721845E-01 4.517220E-01 3.206589E-01 1.785219E-01 3.513154E-02 0.000000E+00 0.000000E+00\nALD2_R_IUPAC13 CS 250.000 4.432586E-20 3.717937E-20 2.933103E-20 2.105459E-20 5.353235E-21 1.388418E-23 0.000000E+00\nALD2_R_IUPAC13 EQY 250.000 5.721845E-01 4.517220E-01 3.206589E-01 1.785219E-01 3.513154E-02 0.000000E+00 0.000000E+00\nALD2_R_IUPAC13 CS 270.000 4.432586E-20 3.717937E-20 2.933103E-20 2.105459E-20 5.353235E-21 1.388418E-23 0.000000E+00\nALD2_R_IUPAC13 EQY 270.000 5.721845E-01 4.517220E-01 3.206589E-01 1.785219E-01 3.513154E-02 0.000000E+00 0.000000E+00\nALD2_R_IUPAC13 CS 290.000 4.432586E-20 3.717937E-20 2.933103E-20 2.105459E-20 5.353235E-21 1.388418E-23 0.000000E+00\nALD2_R_IUPAC13 EQY 290.000 5.721845E-01 4.517220E-01 3.206589E-01 1.785219E-01 3.513154E-02 0.000000E+00 0.000000E+00\nALD2_R_IUPAC13 CS 310.000 4.432586E-20 3.717937E-20 2.933103E-20 2.105459E-20 5.353235E-21 1.388418E-23 0.000000E+00\nALD2_R_IUPAC13 EQY 310.000 5.721845E-01 4.517220E-01 3.206589E-01 1.785219E-01 3.513154E-02 0.000000E+00 0.000000E+00\nALDX_R_IUPAC13 CS 210.000 5.852983E-20 5.282509E-20 4.273233E-20 3.228716E-20 8.347573E-21 0.000000E+00 0.000000E+00\nALDX_R_IUPAC13 EQY 210.000 8.779770E-01 9.973180E-01 1.000000E+00 1.000000E+00 8.999137E-01 0.000000E+00 0.000000E+00\nALDX_R_IUPAC13 CS 230.000 5.852983E-20 5.282509E-20 4.273233E-20 3.228716E-20 8.347573E-21 0.000000E+00 0.000000E+00\nALDX_R_IUPAC13 EQY 230.000 8.779770E-01 9.973180E-01 1.000000E+00 1.000000E+00 8.999137E-01 0.000000E+00 0.000000E+00\nALDX_R_IUPAC13 CS 250.000 5.852983E-20 5.282509E-20 4.273233E-20 3.228716E-20 8.347573E-21 0.000000E+00 0.000000E+00\nALDX_R_IUPAC13 EQY 250.000 8.779770E-01 9.973180E-01 1.000000E+00 1.000000E+00 8.999137E-01 0.000000E+00 0.000000E+00\nALDX_R_IUPAC13 CS 270.000 5.852983E-20 5.282509E-20 4.273233E-20 3.228716E-20 8.347573E-21 0.000000E+00 0.000000E+00\nALDX_R_IUPAC13 EQY 270.000 8.779770E-01 9.973180E-01 1.000000E+00 1.000000E+00 8.999137E-01 0.000000E+00 0.000000E+00\nALDX_R_IUPAC13 CS 290.000 5.852983E-20 5.282509E-20 4.273233E-20 3.228716E-20 8.347573E-21 0.000000E+00 0.000000E+00\nALDX_R_IUPAC13 EQY 290.000 8.779770E-01 9.973180E-01 1.000000E+00 1.000000E+00 8.999137E-01 0.000000E+00 0.000000E+00\nALDX_R_IUPAC13 CS 310.000 5.852983E-20 5.282509E-20 4.273233E-20 3.228716E-20 8.347573E-21 0.000000E+00 0.000000E+00\nALDX_R_IUPAC13 EQY 310.000 8.779770E-01 9.973180E-01 1.000000E+00 1.000000E+00 8.999137E-01 0.000000E+00 0.000000E+00\nGLYD_IUPAC13 CS 210.000 3.704782E-20 2.277373E-20 1.257586E-20 5.852344E-21 6.507965E-22 0.000000E+00 0.000000E+00\nGLYD_IUPAC13 EQY 210.000 7.500000E-01 7.500000E-01 7.500000E-01 7.500000E-01 7.500000E-01 0.000000E+00 0.000000E+00\nGLYD_IUPAC13 CS 230.000 3.704782E-20 2.277373E-20 1.257586E-20 5.852344E-21 6.507965E-22 0.000000E+00 0.000000E+00\nGLYD_IUPAC13 EQY 230.000 7.500000E-01 7.500000E-01 7.500000E-01 7.500000E-01 7.500000E-01 0.000000E+00 0.000000E+00\nGLYD_IUPAC13 CS 250.000 3.704782E-20 2.277373E-20 1.257586E-20 5.852344E-21 6.507965E-22 0.000000E+00 0.000000E+00\nGLYD_IUPAC13 EQY 250.000 7.500000E-01 7.500000E-01 7.500000E-01 7.500000E-01 7.500000E-01 0.000000E+00 0.000000E+00\nGLYD_IUPAC13 CS 270.000 3.704782E-20 2.277373E-20 1.257586E-20 5.852344E-21 6.507965E-22 0.000000E+00 0.000000E+00\nGLYD_IUPAC13 EQY 270.000 7.500000E-01 7.500000E-01 7.500000E-01 7.500000E-01 7.500000E-01 0.000000E+00 0.000000E+00\nGLYD_IUPAC13 CS 290.000 3.704782E-20 2.277373E-20 1.257586E-20 5.852344E-21 6.507965E-22 0.000000E+00 0.000000E+00\nGLYD_IUPAC13 EQY 290.000 7.500000E-01 7.500000E-01 7.500000E-01 7.500000E-01 7.500000E-01 0.000000E+00 0.000000E+00\nGLYD_IUPAC13 CS 310.000 3.704782E-20 2.277373E-20 1.257586E-20 5.852344E-21 6.507965E-22 0.000000E+00 0.000000E+00\nGLYD_IUPAC13 EQY 310.000 7.500000E-01 7.500000E-01 7.500000E-01 7.500000E-01 7.500000E-01 0.000000E+00 0.000000E+00\nGLY_R_IUPAC13 CS 210.000 3.792117E-20 3.572108E-20 3.194423E-20 2.574261E-20 1.106789E-20 2.757124E-20 1.066760E-20\nGLY_R_IUPAC13 EQY 210.000 5.417586E-01 5.282888E-01 5.425920E-01 5.719462E-01 6.539832E-01 1.335054E-01 5.191700E-17\nGLY_R_IUPAC13 CS 230.000 3.792117E-20 3.572108E-20 3.194423E-20 2.574261E-20 1.106789E-20 2.757124E-20 1.066760E-20\nGLY_R_IUPAC13 EQY 230.000 5.412837E-01 5.273820E-01 5.410793E-01 5.695508E-01 6.480343E-01 1.406395E-01 6.255050E-16\nGLY_R_IUPAC13 CS 250.000 3.792117E-20 3.572108E-20 3.194423E-20 2.574261E-20 1.106789E-20 2.757124E-20 1.066760E-20\nGLY_R_IUPAC13 EQY 250.000 5.407746E-01 5.264520E-01 5.395834E-01 5.672647E-01 6.429353E-01 1.478171E-01 1.247636E-09\nGLY_R_IUPAC13 CS 270.000 3.792117E-20 3.572108E-20 3.194423E-20 2.574261E-20 1.106789E-20 2.757124E-20 1.066760E-20\nGLY_R_IUPAC13 EQY 270.000 5.402412E-01 5.255162E-01 5.381273E-01 5.651107E-01 6.385970E-01 1.550556E-01 5.386577E-06\nGLY_R_IUPAC13 CS 290.000 3.792117E-20 3.572108E-20 3.194423E-20 2.574261E-20 1.106789E-20 2.757124E-20 1.066760E-20\nGLY_R_IUPAC13 EQY 290.000 5.396925E-01 5.245881E-01 5.367267E-01 5.631009E-01 6.349310E-01 1.622865E-01 7.036469E-04\nGLY_R_IUPAC13 CS 310.000 3.792117E-20 3.572108E-20 3.194423E-20 2.574261E-20 1.106789E-20 2.757124E-20 1.066760E-20\nGLY_R_IUPAC13 EQY 310.000 5.391361E-01 5.236784E-01 5.353922E-01 5.612398E-01 6.318546E-01 1.694831E-01 1.456810E-02\nMGLY_IUPAC10 CS 210.000 4.623980E-20 3.737641E-20 2.838188E-20 2.024261E-20 7.313774E-21 3.354496E-20 8.017686E-21\nMGLY_IUPAC10 EQY 210.000 9.424525E-01 9.055298E-01 8.638632E-01 8.161852E-01 6.723635E-01 1.057406E-01 2.062893E-02\nMGLY_IUPAC10 CS 230.000 4.623980E-20 3.737641E-20 2.838188E-20 2.024261E-20 7.313774E-21 3.354496E-20 8.017686E-21\nMGLY_IUPAC10 EQY 230.000 9.424612E-01 9.055434E-01 8.638818E-01 8.162095E-01 6.724034E-01 1.057492E-01 2.062893E-02\nMGLY_IUPAC10 CS 250.000 4.623980E-20 3.737641E-20 2.838188E-20 2.024261E-20 7.313774E-21 3.354496E-20 8.017686E-21\nMGLY_IUPAC10 EQY 250.000 9.424697E-01 9.055570E-01 8.639004E-01 8.162335E-01 6.724433E-01 1.057578E-01 2.062893E-02\nMGLY_IUPAC10 CS 270.000 4.623980E-20 3.737641E-20 2.838188E-20 2.024261E-20 7.313774E-21 3.354496E-20 8.017686E-21\nMGLY_IUPAC10 EQY 270.000 9.424782E-01 9.055706E-01 8.639192E-01 8.162577E-01 6.724831E-01 1.057665E-01 2.062893E-02\nMGLY_IUPAC10 CS 290.000 4.623980E-20 3.737641E-20 2.838188E-20 2.024261E-20 7.313774E-21 3.354496E-20 8.017686E-21\nMGLY_IUPAC10 EQY 290.000 9.424869E-01 9.055842E-01 8.639378E-01 8.162817E-01 6.725230E-01 1.057751E-01 2.062893E-02\nMGLY_IUPAC10 CS 310.000 4.623980E-20 3.737641E-20 2.838188E-20 2.024261E-20 7.313774E-21 3.354496E-20 8.017686E-21\nMGLY_IUPAC10 EQY 310.000 9.424955E-01 9.055978E-01 8.639566E-01 8.163059E-01 6.725629E-01 1.057837E-01 2.062893E-02\nKET_IUPAC10 CS 210.000 4.244734E-20 2.775264E-20 1.650076E-20 8.235885E-21 8.879242E-22 2.161979E-25 0.000000E+00\nKET_IUPAC10 EQY 210.000 3.557317E-01 2.281597E-01 9.456919E-02 4.449943E-02 1.703344E-02 2.980055E-03 0.000000E+00\nKET_IUPAC10 CS 230.000 4.244734E-20 2.775264E-20 1.650076E-20 8.235885E-21 8.879242E-22 2.161979E-25 0.000000E+00\nKET_IUPAC10 EQY 230.000 3.557317E-01 2.281597E-01 9.456919E-02 4.449943E-02 1.703344E-02 2.980055E-03 0.000000E+00\nKET_IUPAC10 CS 250.000 4.244734E-20 2.775264E-20 1.650076E-20 8.235885E-21 8.879242E-22 2.161979E-25 0.000000E+00\nKET_IUPAC10 EQY 250.000 3.557317E-01 2.281597E-01 9.456919E-02 4.449943E-02 1.703344E-02 2.980055E-03 0.000000E+00\nKET_IUPAC10 CS 270.000 4.244734E-20 2.775264E-20 1.650076E-20 8.235885E-21 8.879242E-22 2.161979E-25 0.000000E+00\nKET_IUPAC10 EQY 270.000 3.557317E-01 2.281597E-01 9.456919E-02 4.449943E-02 1.703344E-02 2.980055E-03 0.000000E+00\nKET_IUPAC10 CS 290.000 4.244734E-20 2.775264E-20 1.650076E-20 8.235885E-21 8.879242E-22 2.161979E-25 0.000000E+00\nKET_IUPAC10 EQY 290.000 3.557317E-01 2.281597E-01 9.456919E-02 4.449943E-02 1.703344E-02 2.980055E-03 0.000000E+00\nKET_IUPAC10 CS 310.000 4.244734E-20 2.775264E-20 1.650076E-20 8.235885E-21 8.879242E-22 2.161979E-25 0.000000E+00\nKET_IUPAC10 EQY 310.000 3.557317E-01 2.281597E-01 9.456919E-02 4.449943E-02 1.703344E-02 2.980055E-03 0.000000E+00\nACET_IUPAC10 CS 210.000 3.154020E-20 1.990274E-20 1.121114E-20 5.714158E-21 4.839526E-22 9.619963E-25 0.000000E+00\nACET_IUPAC10 EQY 210.000 3.142315E-01 9.508523E-02 1.347957E-02 2.101419E-03 4.774525E-05 2.883126E-03 0.000000E+00\nACET_IUPAC10 CS 230.000 3.210615E-20 2.065870E-20 1.200334E-20 6.223282E-21 5.288214E-22 9.615415E-25 0.000000E+00\nACET_IUPAC10 EQY 230.000 2.892200E-01 1.028149E-01 1.893153E-02 3.808953E-03 1.663003E-04 2.883126E-03 0.000000E+00\nACET_IUPAC10 CS 250.000 3.284215E-20 2.146998E-20 1.277972E-20 6.735570E-21 6.082958E-22 9.633595E-25 0.000000E+00\nACET_IUPAC10 EQY 250.000 2.868186E-01 1.209827E-01 2.841206E-02 7.388534E-03 7.029614E-04 2.883126E-03 0.000000E+00\nACET_IUPAC10 CS 270.000 3.374994E-20 2.230310E-20 1.348986E-20 7.221250E-21 7.267921E-22 9.679524E-25 0.000000E+00\nACET_IUPAC10 EQY 270.000 3.030808E-01 1.525401E-01 4.579334E-02 1.553840E-02 3.012870E-03 2.883126E-03 0.000000E+00\nACET_IUPAC10 CS 290.000 3.483127E-20 2.312459E-20 1.408336E-20 7.650557E-21 8.887266E-22 9.758227E-25 0.000000E+00\nACET_IUPAC10 EQY 290.000 3.373500E-01 2.015979E-01 7.683466E-02 3.310391E-02 1.071987E-02 2.883126E-03 0.000000E+00\nACET_IUPAC10 CS 310.000 3.608787E-20 2.390098E-20 1.450979E-20 7.993726E-21 1.098516E-21 9.874724E-25 0.000000E+00\nACET_IUPAC10 EQY 310.000 3.878387E-01 2.703615E-01 1.273605E-01 6.627605E-02 3.052155E-02 2.883126E-03 0.000000E+00\nISPD CS 210.000 2.840289E-20 4.154632E-20 5.213074E-20 6.122464E-20 6.678539E-20 1.408010E-20 0.000000E+00\nISPD EQY 210.000 5.009691E-02 5.009691E-02 5.009691E-02 5.009691E-02 5.009691E-02 5.009691E-02 0.000000E+00\nISPD CS 230.000 2.840289E-20 4.154632E-20 5.213074E-20 6.122464E-20 6.678539E-20 1.408010E-20 0.000000E+00\nISPD EQY 230.000 5.009691E-02 5.009691E-02 5.009691E-02 5.009691E-02 5.009691E-02 5.009691E-02 0.000000E+00\nISPD CS 250.000 2.840289E-20 4.154632E-20 5.213074E-20 6.122464E-20 6.678539E-20 1.408010E-20 0.000000E+00\nISPD EQY 250.000 5.009691E-02 5.009691E-02 5.009691E-02 5.009691E-02 5.009691E-02 5.009691E-02 0.000000E+00\nISPD CS 270.000 2.840289E-20 4.154632E-20 5.213074E-20 6.122464E-20 6.678539E-20 1.408010E-20 0.000000E+00\nISPD EQY 270.000 5.009691E-02 5.009691E-02 5.009691E-02 5.009691E-02 5.009691E-02 5.009691E-02 0.000000E+00\nISPD CS 290.000 2.840289E-20 4.154632E-20 5.213074E-20 6.122464E-20 6.678539E-20 1.408010E-20 0.000000E+00\nISPD EQY 290.000 5.009691E-02 5.009691E-02 5.009691E-02 5.009691E-02 5.009691E-02 5.009691E-02 0.000000E+00\nISPD CS 310.000 2.840289E-20 4.154632E-20 5.213074E-20 6.122464E-20 6.678539E-20 1.408010E-20 0.000000E+00\nISPD EQY 310.000 5.009691E-02 5.009691E-02 5.009691E-02 5.009691E-02 5.009691E-02 5.009691E-02 0.000000E+00\nHPALD CS 210.000 2.639069E-20 3.936243E-20 4.989643E-20 5.926228E-20 6.528440E-20 1.326810E-20 0.000000E+00\nHPALD EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHPALD CS 230.000 2.639069E-20 3.936243E-20 4.989643E-20 5.926228E-20 6.528440E-20 1.326810E-20 0.000000E+00\nHPALD EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHPALD CS 250.000 2.639069E-20 3.936243E-20 4.989643E-20 5.926228E-20 6.528440E-20 1.326810E-20 0.000000E+00\nHPALD EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHPALD CS 270.000 2.639069E-20 3.936243E-20 4.989643E-20 5.926228E-20 6.528440E-20 1.326810E-20 0.000000E+00\nHPALD EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHPALD CS 290.000 2.639069E-20 3.936243E-20 4.989643E-20 5.926228E-20 6.528440E-20 1.326810E-20 0.000000E+00\nHPALD EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHPALD CS 310.000 2.639069E-20 3.936243E-20 4.989643E-20 5.926228E-20 6.528440E-20 1.326810E-20 0.000000E+00\nHPALD EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCL2_IUPAC04 CS 210.000 8.459998E-20 1.387449E-19 1.859079E-19 2.232772E-19 2.484952E-19 6.038539E-20 6.788245E-22\nCL2_IUPAC04 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nCL2_IUPAC04 CS 230.000 8.524757E-20 1.389977E-19 1.856245E-19 2.224567E-19 2.471989E-19 6.124574E-20 6.788245E-22\nCL2_IUPAC04 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nCL2_IUPAC04 CS 250.000 8.601563E-20 1.392877E-19 1.852748E-19 2.214706E-19 2.456518E-19 6.228141E-20 6.788245E-22\nCL2_IUPAC04 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nCL2_IUPAC04 CS 270.000 8.688803E-20 1.396037E-19 1.848591E-19 2.203326E-19 2.438807E-19 6.347855E-20 6.788245E-22\nCL2_IUPAC04 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nCL2_IUPAC04 CS 290.000 8.784630E-20 1.399339E-19 1.843792E-19 2.190595E-19 2.419169E-19 6.481979E-20 6.788245E-22\nCL2_IUPAC04 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nCL2_IUPAC04 CS 310.000 8.835163E-20 1.401007E-19 1.841159E-19 2.183779E-19 2.408728E-19 6.553857E-20 6.788245E-22\nCL2_IUPAC04 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nHOCL_IUPAC04 CS 210.000 5.570117E-20 6.066934E-20 5.958161E-20 5.377945E-20 3.120855E-20 6.545254E-21 1.170137E-23\nHOCL_IUPAC04 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nHOCL_IUPAC04 CS 230.000 5.570117E-20 6.066934E-20 5.958161E-20 5.377945E-20 3.120855E-20 6.545254E-21 1.170137E-23\nHOCL_IUPAC04 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nHOCL_IUPAC04 CS 250.000 5.570117E-20 6.066934E-20 5.958161E-20 5.377945E-20 3.120855E-20 6.545254E-21 1.170137E-23\nHOCL_IUPAC04 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nHOCL_IUPAC04 CS 270.000 5.570117E-20 6.066934E-20 5.958161E-20 5.377945E-20 3.120855E-20 6.545254E-21 1.170137E-23\nHOCL_IUPAC04 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nHOCL_IUPAC04 CS 290.000 5.570117E-20 6.066934E-20 5.958161E-20 5.377945E-20 3.120855E-20 6.545254E-21 1.170137E-23\nHOCL_IUPAC04 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nHOCL_IUPAC04 CS 310.000 5.570117E-20 6.066934E-20 5.958161E-20 5.377945E-20 3.120855E-20 6.545254E-21 1.170137E-23\nHOCL_IUPAC04 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nFMCL_IUPAC04 CS 210.000 5.320050E-21 1.421323E-21 2.242342E-22 8.338288E-23 0.000000E+00 0.000000E+00 0.000000E+00\nFMCL_IUPAC04 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00\nFMCL_IUPAC04 CS 230.000 5.320050E-21 1.421323E-21 2.242342E-22 8.338288E-23 0.000000E+00 0.000000E+00 0.000000E+00\nFMCL_IUPAC04 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00\nFMCL_IUPAC04 CS 250.000 5.320050E-21 1.421323E-21 2.242342E-22 8.338288E-23 0.000000E+00 0.000000E+00 0.000000E+00\nFMCL_IUPAC04 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00\nFMCL_IUPAC04 CS 270.000 5.320050E-21 1.421323E-21 2.242342E-22 8.338288E-23 0.000000E+00 0.000000E+00 0.000000E+00\nFMCL_IUPAC04 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00\nFMCL_IUPAC04 CS 290.000 5.320050E-21 1.421323E-21 2.242342E-22 8.338288E-23 0.000000E+00 0.000000E+00 0.000000E+00\nFMCL_IUPAC04 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00\nFMCL_IUPAC04 CS 310.000 5.320050E-21 1.421323E-21 2.242342E-22 8.338288E-23 0.000000E+00 0.000000E+00 0.000000E+00\nFMCL_IUPAC04 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00\nCLNO2_IUPAC13 CS 210.000 1.630885E-19 1.401581E-19 1.165449E-19 9.197057E-20 4.058577E-20 2.506084E-21 1.666845E-23\nCLNO2_IUPAC13 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nCLNO2_IUPAC13 CS 230.000 1.600463E-19 1.384247E-19 1.162092E-19 9.282048E-20 4.270499E-20 3.014832E-21 1.684379E-23\nCLNO2_IUPAC13 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nCLNO2_IUPAC13 CS 250.000 1.583382E-19 1.376411E-19 1.165927E-19 9.421802E-20 4.513980E-20 3.671099E-21 1.713705E-23\nCLNO2_IUPAC13 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nCLNO2_IUPAC13 CS 270.000 1.579640E-19 1.378072E-19 1.176955E-19 9.616322E-20 4.789021E-20 4.474883E-21 1.754824E-23\nCLNO2_IUPAC13 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nCLNO2_IUPAC13 CS 290.000 1.589238E-19 1.389231E-19 1.195174E-19 9.865609E-20 5.095621E-20 5.426186E-21 1.807737E-23\nCLNO2_IUPAC13 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nCLNO2_IUPAC13 CS 310.000 1.594719E-19 1.394430E-19 1.202042E-19 9.951074E-20 5.193755E-20 5.740343E-21 1.825910E-23\nCLNO2_IUPAC13 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nCLONO2_1 CS 210.000 3.530556E-20 1.872070E-20 1.123545E-20 7.141706E-21 3.111550E-21 9.743237E-22 9.489116E-24\nCLONO2_1 EQY 210.000 4.000000E-01 3.992096E-01 3.837866E-01 3.420477E-01 2.361424E-01 2.718547E-02 0.000000E+00\nCLONO2_1 CS 230.000 3.756278E-20 2.004876E-20 1.210488E-20 7.706714E-21 3.240199E-21 1.038511E-21 9.491610E-24\nCLONO2_1 EQY 230.000 4.000000E-01 3.992096E-01 3.837866E-01 3.420477E-01 2.361424E-01 2.718547E-02 0.000000E+00\nCLONO2_1 CS 250.000 3.999382E-20 2.155965E-20 1.312916E-20 8.405717E-21 3.464433E-21 1.097813E-21 9.504681E-24\nCLONO2_1 EQY 250.000 4.000000E-01 3.992096E-01 3.837866E-01 3.420477E-01 2.361424E-01 2.718547E-02 0.000000E+00\nCLONO2_1 CS 270.000 4.259870E-20 2.325335E-20 1.430828E-20 9.238715E-21 3.784253E-21 1.152229E-21 9.528331E-24\nCLONO2_1 EQY 270.000 4.000000E-01 3.992096E-01 3.837866E-01 3.420477E-01 2.361424E-01 2.718547E-02 0.000000E+00\nCLONO2_1 CS 290.000 4.537742E-20 2.512988E-20 1.564224E-20 1.020571E-20 4.199657E-21 1.201758E-21 9.562558E-24\nCLONO2_1 EQY 290.000 4.000000E-01 3.992096E-01 3.837866E-01 3.420477E-01 2.361424E-01 2.718547E-02 0.000000E+00\nCLONO2_1 CS 310.000 4.832995E-20 2.718922E-20 1.713105E-20 1.130669E-20 4.710647E-21 1.246402E-21 9.607363E-24\nCLONO2_1 EQY 310.000 4.000000E-01 3.992096E-01 3.837866E-01 3.420477E-01 2.361424E-01 2.718547E-02 0.000000E+00\nCLONO2_2 CS 210.000 3.530556E-20 1.872070E-20 1.123545E-20 7.141706E-21 3.111550E-21 9.743237E-22 9.489116E-24\nCLONO2_2 EQY 210.000 6.000000E-01 6.007904E-01 6.162134E-01 6.579523E-01 7.638576E-01 9.728145E-01 1.000000E+00\nCLONO2_2 CS 230.000 3.756278E-20 2.004876E-20 1.210488E-20 7.706714E-21 3.240199E-21 1.038511E-21 9.491610E-24\nCLONO2_2 EQY 230.000 6.000000E-01 6.007904E-01 6.162134E-01 6.579523E-01 7.638576E-01 9.728145E-01 1.000000E+00\nCLONO2_2 CS 250.000 3.999382E-20 2.155965E-20 1.312916E-20 8.405717E-21 3.464433E-21 1.097813E-21 9.504681E-24\nCLONO2_2 EQY 250.000 6.000000E-01 6.007904E-01 6.162134E-01 6.579523E-01 7.638576E-01 9.728145E-01 1.000000E+00\nCLONO2_2 CS 270.000 4.259870E-20 2.325335E-20 1.430828E-20 9.238715E-21 3.784253E-21 1.152229E-21 9.528331E-24\nCLONO2_2 EQY 270.000 6.000000E-01 6.007904E-01 6.162134E-01 6.579523E-01 7.638576E-01 9.728145E-01 1.000000E+00\nCLONO2_2 CS 290.000 4.537742E-20 2.512988E-20 1.564224E-20 1.020571E-20 4.199657E-21 1.201758E-21 9.562558E-24\nCLONO2_2 EQY 290.000 6.000000E-01 6.007904E-01 6.162134E-01 6.579523E-01 7.638576E-01 9.728145E-01 1.000000E+00\nCLONO2_2 CS 310.000 4.832995E-20 2.718922E-20 1.713105E-20 1.130669E-20 4.710647E-21 1.246402E-21 9.607363E-24\nCLONO2_2 EQY 310.000 6.000000E-01 6.007904E-01 6.162134E-01 6.579523E-01 7.638576E-01 9.728145E-01 1.000000E+00\nIC3ONO2 CS 210.000 9.514298E-21 4.530419E-21 2.204171E-21 1.039935E-21 1.393909E-22 0.000000E+00 0.000000E+00\nIC3ONO2 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nIC3ONO2 CS 230.000 9.514298E-21 4.530419E-21 2.204171E-21 1.039935E-21 1.393909E-22 0.000000E+00 0.000000E+00\nIC3ONO2 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nIC3ONO2 CS 250.000 9.980248E-21 4.802258E-21 2.361341E-21 1.133020E-21 1.558919E-22 0.000000E+00 0.000000E+00\nIC3ONO2 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nIC3ONO2 CS 270.000 1.098172E-20 5.395850E-21 2.710103E-21 1.344930E-21 1.949851E-22 0.000000E+00 0.000000E+00\nIC3ONO2 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nIC3ONO2 CS 290.000 1.208369E-20 6.062813E-21 3.110376E-21 1.596473E-21 2.438819E-22 0.000000E+00 0.000000E+00\nIC3ONO2 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nIC3ONO2 CS 310.000 1.329624E-20 6.812218E-21 3.569767E-21 1.895064E-21 3.050405E-22 0.000000E+00 0.000000E+00\nIC3ONO2 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nACRO_09 CS 210.000 1.856128E-20 2.787986E-20 3.602616E-20 4.321518E-20 5.371941E-20 1.543856E-20 0.000000E+00\nACRO_09 EQY 210.000 5.269045E-02 3.293790E-02 2.264026E-02 1.595375E-02 6.767500E-03 1.624741E-03 0.000000E+00\nACRO_09 CS 230.000 1.856128E-20 2.787986E-20 3.602616E-20 4.321518E-20 5.371941E-20 1.543856E-20 0.000000E+00\nACRO_09 EQY 230.000 5.269045E-02 3.293790E-02 2.264026E-02 1.595375E-02 6.767500E-03 1.624741E-03 0.000000E+00\nACRO_09 CS 250.000 1.856128E-20 2.787986E-20 3.602616E-20 4.321518E-20 5.371941E-20 1.543856E-20 0.000000E+00\nACRO_09 EQY 250.000 5.269045E-02 3.293790E-02 2.264026E-02 1.595375E-02 6.767500E-03 1.624741E-03 0.000000E+00\nACRO_09 CS 270.000 1.856128E-20 2.787986E-20 3.602616E-20 4.321518E-20 5.371941E-20 1.543856E-20 0.000000E+00\nACRO_09 EQY 270.000 5.269045E-02 3.293790E-02 2.264026E-02 1.595375E-02 6.767500E-03 1.624741E-03 0.000000E+00\nACRO_09 CS 290.000 1.856128E-20 2.787986E-20 3.602616E-20 4.321518E-20 5.371941E-20 1.543856E-20 0.000000E+00\nACRO_09 EQY 290.000 5.269045E-02 3.293790E-02 2.264026E-02 1.595375E-02 6.767500E-03 1.624741E-03 0.000000E+00\nACRO_09 CS 310.000 1.856128E-20 2.787986E-20 3.602616E-20 4.321518E-20 5.371941E-20 1.543856E-20 0.000000E+00\nACRO_09 EQY 310.000 5.269045E-02 3.293790E-02 2.264026E-02 1.595375E-02 6.767500E-03 1.624741E-03 0.000000E+00\n! Ozone Cross-Section for Stratospheric Opacity based on Table 4-5 in\n! Chemical Kinetics and Photochemical Data for Use in Atmospheric\n! Studies Evaluation Number 15. Sander et. al: NASA-JPL 2006 \nNTEMP_STRAT = 6\n! QUANTITY TEMP WBIN( 1) WBIN( 2) WBIN( 3) WBIN( 4) WBIN( 5) WBIN( 6) WBIN( 7)\nO3_STRAT CS 180.000 6.113743E-19 2.263004E-19 8.354117E-20 3.417408E-20 3.688351E-21 4.086261E-23 1.663175E-21\nO3_STRAT CS 260.000 6.434133E-19 2.434104E-19 9.254548E-20 3.928807E-20 4.583227E-21 4.086261E-23 1.663175E-21\nO3_STRAT CS 300.000 6.685868E-19 2.568540E-19 9.962031E-20 4.330621E-20 5.286344E-21 4.086261E-23 1.663175E-21\nO3_STRAT CS 340.000 6.685868E-19 2.568540E-19 9.962031E-20 4.330621E-20 5.286344E-21 4.086261E-23 1.663175E-21\nO3_STRAT CS 380.000 6.685868E-19 2.568540E-19 9.962031E-20 4.330621E-20 5.286344E-21 4.086261E-23 1.663175E-21\nO3_STRAT CS 420.000 6.685868E-19 2.568540E-19 9.962031E-20 4.330621E-20 5.286344E-21 4.086261E-23 1.663175E-21\n" }, { "path": "CCTM/src/MECHS/cb6r5_ae7_aq/GC_cb6r5_ae7_aq.nml", "content": "&GC_nml\n\nGC_SPECIES_DATA = \n\n!SPECIES ,MOLWT ,IC ,IC_FAC,BC ,BC_FAC ,DRYDEP SURR ,FAC ,WET-SCAV SURR ,FAC ,GC2AE SURR ,GC2AQ SURR,TRNS ,DDEP ,WDEP ,CONC\n'NO2' , 46.0 ,'' ,-1 ,'' ,-1 ,'VD_NO2' , 1 ,'NO2' , 1 ,'NO2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'NO' , 30.0 ,'' ,-1 ,'' ,-1 ,'VD_NO' , 1 ,'NO' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'O' , 16.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'O3' , 48.0 ,'' ,-1 ,'' ,-1 ,'VD_O3' , 1 ,'O3' , 1 ,'' ,'O3' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'NO3' , 62.0 ,'' ,-1 ,'' ,-1 ,'VD_NO3' , 1 ,'NO3' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'O1D' , 16.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'OH' , 17.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'OH' ,'HO' ,'' ,'' ,'' ,'Yes',\n'HO2' , 33.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'H2O2' , 34.0 ,'' ,-1 ,'' ,-1 ,'VD_H2O2' , 1 ,'H2O2' , 1 ,'' ,'H2O2' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'N2O5' ,108.0 ,'' ,-1 ,'' ,-1 ,'VD_N2O5' , 1 ,'N2O5' , 1 ,'N2O5' ,'N2O5' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'HNO3' , 63.0 ,'' ,-1 ,'' ,-1 ,'VD_HNO3' , 1 ,'HNO3' , 1 ,'HNO3' ,'HNO3' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'HONO' , 47.0 ,'' ,-1 ,'' ,-1 ,'VD_HONO' , 1 ,'HNO2' , 1 ,'HONO' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'PNA' , 79.0 ,'' ,-1 ,'' ,-1 ,'VD_PNA' , 1 ,'HNO4' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SO2' , 64.0 ,'' ,-1 ,'' ,-1 ,'VD_SO2' , 1 ,'SO2' , 1 ,'' ,'SO2' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SULF' , 98.0 ,'' ,-1 ,'' ,-1 ,'VD_SULF' , 1 ,'H2SO4' , 1 ,'SULF' ,'H2SO4' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SULRXN' , 98.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'SULPRD' ,'' ,'' ,'' ,'' ,'' ,\n'C2O3' , 75.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'MEO2' , 47.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'RO2' , 87.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'PAN' ,121.0 ,'' ,-1 ,'' ,-1 ,'VD_PAN' , 1 ,'PAN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'PACD' , 76.0 ,'' ,-1 ,'' ,-1 ,'VD_PAA' , 1 ,'PEROXYACETIC_ACI', 1 ,'' ,'PAA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AACD' , 60.0 ,'' ,-1 ,'' ,-1 ,'VD_ORA' , 1 ,'ACETIC_ACID' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'CXO3' , 89.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'ALD2' , 44.0 ,'' ,-1 ,'' ,-1 ,'VD_ALD' , 1 ,'ACETALDEHYDE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'XO2H' , 87.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'PANX' ,135.0 ,'' ,-1 ,'' ,-1 ,'VD_PPN' , 1 ,'PPN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'FORM' , 30.0 ,'' ,-1 ,'' ,-1 ,'VD_HCHO' , 1 ,'FORMALDEHYDE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'MEPX' , 48.0 ,'' ,-1 ,'' ,-1 ,'VD_OP' , 1 ,'METHYLHYDROPEROX', 1 ,'' ,'MHP' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'MEOH' , 32.0 ,'' ,-1 ,'' ,-1 ,'VD_METHANOL' , 1 ,'METHANOL' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ROOH' , 90.1 ,'' ,-1 ,'' ,-1 ,'VD_ROOH' , 1 ,'METHYLHYDROPEROX', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'XO2' , 87.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'XO2N' , 87.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'XPAR' , 45.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'XPRP' , 89.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'NTR1' ,119.1 ,'' ,-1 ,'' ,-1 ,'VD_NTRALK' , 1 ,'NTR_ALK' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'NTR2' ,135.1 ,'' ,-1 ,'' ,-1 ,'VD_NTROH' , 1 ,'NTR_OH' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'FACD' , 46.0 ,'' ,-1 ,'' ,-1 ,'VD_FACD' , 1 ,'FORMIC_ACID' , 1 ,'' ,'FOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'CO' , 28.0 ,'' ,-1 ,'' ,-1 ,'VD_CO' , 1 ,'CO' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'HCO3' , 63.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'ALDX' , 58.1 ,'' ,-1 ,'' ,-1 ,'VD_GEN_ALD' , 1 ,'GENERIC_ALDEHYDE', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'GLYD' , 60.0 ,'' ,-1 ,'' ,-1 ,'VD_GLYD' , 1 ,'GLYOXAL' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'GLY' , 58.0 ,'' ,-1 ,'' ,-1 ,'VD_GLY' , 1 ,'GLYOXAL' , 1 ,'' ,'GLY' ,'Yes' ,'Yes' ,'' ,'Yes',\n'MGLY' , 72.0 ,'' ,-1 ,'' ,-1 ,'VD_MGLY' , 1 ,'METHYL_GLYOXAL' , 1 ,'' ,'MGLY' ,'Yes' ,'Yes' ,'' ,'Yes',\n'ETHA' , 30.1 ,'' ,-1 ,'' ,-1 ,'VD_ETHA' , 1 ,'ETHANE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'ETOH' , 46.1 ,'' ,-1 ,'' ,-1 ,'VD_ETOH' , 1 ,'ETHANOL' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'KET' , 72.1 ,'' ,-1 ,'' ,-1 ,'VD_KET' , 1 ,'MEK' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'PAR' , 14.0 ,'' ,-1 ,'' ,-1 ,'VD_PAR' , 1 ,'ETHANE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'ACET' , 58.1 ,'' ,-1 ,'' ,-1 ,'VD_ACET' , 1 ,'ACETONE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'PRPA' , 44.1 ,'' ,-1 ,'' ,-1 ,'VD_PRPA' , 1 ,'PROPANE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'ROR' , 29.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'ETHY' , 26.0 ,'' ,-1 ,'' ,-1 ,'VD_ETHY' , 1 ,'ACETYLENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'ETH' , 28.0 ,'' ,-1 ,'' ,-1 ,'VD_ETH' , 1 ,'ETHENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'OLE' , 42.1 ,'' ,-1 ,'' ,-1 ,'VD_OLE' , 1 ,'ETHENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'IOLE' , 56.1 ,'' ,-1 ,'' ,-1 ,'VD_IOLE' , 1 ,'ETHENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'ISOP' , 68.1 ,'' ,-1 ,'' ,-1 ,'VD_ISOP' , 1 ,'ISOPRENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'ISO2' ,117.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'ISOPRXN' , 68.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'ISOPRXN' ,'' ,'' ,'' ,'' ,'' ,\n'ISPD' , 70.1 ,'' ,-1 ,'' ,-1 ,'VD_ISPD' , 1 ,'METHACROLEIN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'INTR' ,147.1 ,'' ,-1 ,'' ,-1 ,'VD_INTR' , 1 ,'NTR_OH' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ISPX' ,118.1 ,'' ,-1 ,'' ,-1 ,'VD_ISPX' , 1 ,'METHYLHYDROPEROX', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'HPLD' ,116.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'OPO3' ,115.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'EPOX' ,118.1 ,'' ,-1 ,'' ,-1 ,'VD_IEPOX' , 1 ,'MEK' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'IEPOXP' ,118.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes', \n'EPX2' ,149.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'TERP' ,136.2 ,'' ,-1 ,'' ,-1 ,'VD_TERP' , 1 ,'PINENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'APIN' ,136.2 ,'' ,-1 ,'' ,-1 ,'VD_TERP' , 1 ,'PINENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'TERPNRO2' ,197.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'MTNO3' ,231.0 ,'' ,-1 ,'' ,-1 ,'VD_MTNO3' , 1 ,'MTNO3' , 1 ,'MTNO3' ,'MTNO3' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'TRPRXN' ,136.2 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'TRPRXN' ,'' ,'' ,'' ,'' ,'' ,\n'BENZENE' , 78.1 ,'' ,-1 ,'' ,-1 ,'VD_BENZ' , 1 ,'BENZENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'CRES' ,108.1 ,'' ,-1 ,'' ,-1 ,'VD_CRES' , 1 ,'2-CRESOL' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'BZO2' ,159.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'OPEN' , 84.0 ,'' ,-1 ,'' ,-1 ,'VD_OPEN' , 1 ,'METHACROLEIN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'BENZRO2' ,127.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'TOL' , 92.1 ,'' ,-1 ,'' ,-1 ,'VD_TOL' , 1 ,'TOLUENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'TO2' ,173.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'TOLRO2' ,141.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'XOPN' , 98.1 ,'' ,-1 ,'' ,-1 ,'VD_XOPN' , 1 ,'MEK' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'XYLMN' ,106.2 ,'' ,-1 ,'' ,-1 ,'VD_XYLMN' , 1 ,'O-XYLENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'XLO2' ,187.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'XYLRO2' ,155.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'NAPH' ,128.2 ,'' ,-1 ,'' ,-1 ,'VD_NAPH' , 1 ,'O-XYLENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'PAHRO2' ,187.2 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'CRO' ,107.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'CAT1' ,124.1 ,'' ,-1 ,'' ,-1 ,'VD_CAT1' , 1 ,'PHENOL' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'CRON' ,153.1 ,'' ,-1 ,'' ,-1 ,'VD_METH_NIT_PHEN', 1 ,'6_NITRO_O_CRESOL', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'OPAN' ,161.0 ,'' ,-1 ,'' ,-1 ,'VD_MPAN' , 1 ,'MPAN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ECH4' , 16.0 ,'' ,-1 ,'' ,-1 ,'VD_METHANE' , 1 ,'METHANE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'CL2' , 71.0 ,'' ,-1 ,'' ,-1 ,'VD_CL2' , 1 ,'CL2' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'CL' , 35.5 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'HOCL' , 52.5 ,'' ,-1 ,'' ,-1 ,'VD_HOCL' , 1 ,'HOCL' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'CLO' , 51.5 ,'' ,-1 ,'' ,-1 ,'VD_CLO' , 1 ,'CLO' , 1 ,'' ,'' ,'YES' ,'' ,'' ,'Yes',\n'FMCL' , 64.5 ,'' ,-1 ,'' ,-1 ,'VD_FMCL' , 1 ,'FMCL' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'HCL' , 36.5 ,'' ,-1 ,'' ,-1 ,'VD_HCL' , 1 ,'HCL' , 1 ,'HCL' ,'HCL' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'CLNO2' , 81.5 ,'' ,-1 ,'' ,-1 ,'VD_CLNO2' , 1 ,'NITRYL_CHLORIDE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'CLNO3' , 97.5 ,'' ,-1 ,'' ,-1 ,'VD_CLNO3' , 1 ,'CLNO3' , 1 ,'CLNO3' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SESQ' ,204.0 ,'' ,-1 ,'' ,-1 ,'VD_SESQ' , 1 ,'PINENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'SESQRXN' ,204.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'SESQRXN' ,'' ,'' ,'' ,'' ,'' ,\n'SOAALK' ,112.0 ,'' ,-1 ,'' ,-1 ,'VD_SOAALK' , 1 ,'DECANE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'H2NO3PIJ' , 64.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'H2NO3PK' , 64.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'VLVPO1' ,218.0 ,'' ,-1 ,'' ,-1 ,'VD_VLVPO1' , 1 ,'ADIPIC_ACID' , 1 ,'VLVPO1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VSVPO1' ,230.0 ,'' ,-1 ,'' ,-1 ,'VD_VSVPO1' , 1 ,'ADIPIC_ACID' , 1 ,'VSVPO1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VSVPO2' ,241.0 ,'' ,-1 ,'' ,-1 ,'VD_VSVPO2' , 1 ,'ADIPIC_ACID' , 1 ,'VSVPO2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VSVPO3' ,253.0 ,'' ,-1 ,'' ,-1 ,'VD_VSVPO3' , 1 ,'ADIPIC_ACID' , 1 ,'VSVPO3' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VIVPO1' ,266.0 ,'' ,-1 ,'' ,-1 ,'VD_VIVPO1' , 1 ,'ADIPIC_ACID' , 1 ,'VIVPO1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VLVOO1' ,136.0 ,'' ,-1 ,'' ,-1 ,'VD_VLVOO1' , 1 ,'ADIPIC_ACID' , 1 ,'VLVOO1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VLVOO2' ,136.0 ,'' ,-1 ,'' ,-1 ,'VD_VLVOO2' , 1 ,'ADIPIC_ACID' , 1 ,'VLVOO2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VSVOO1' ,135.0 ,'' ,-1 ,'' ,-1 ,'VD_VSVOO1' , 1 ,'ADIPIC_ACID' , 1 ,'VSVOO1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VSVOO2' ,135.0 ,'' ,-1 ,'' ,-1 ,'VD_VSVOO2' , 1 ,'ADIPIC_ACID' , 1 ,'VSVOO2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VSVOO3' ,134.0 ,'' ,-1 ,'' ,-1 ,'VD_VSVOO3' , 1 ,'ADIPIC_ACID' , 1 ,'VSVOO3' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'PCVOC' ,170.0 ,'' ,-1 ,'' ,-1 ,'VD_PCVOC' , 1 ,'GENERIC_ALDEHYDE', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'PCSOARXN' ,170.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'PCSOARXN' ,'' ,'' ,'' ,'' ,'' ,\n'FORM_PRIMARY' , 30.0 ,'' ,-1 ,'' ,-1 ,'VD_HCHO' , 1 ,'FORMALDEHYDE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ALD2_PRIMARY' , 44.0 ,'' ,-1 ,'' ,-1 ,'VD_ALD' , 1 ,'ACETALDEHYDE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'BUTADIENE13' , 54.0 ,'' ,-1 ,'' ,-1 ,'VD_BUTADIENE13' , 1 ,'13-BUTADIENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'ACROLEIN' , 56.1 ,'' ,-1 ,'' ,-1 ,'VD_ACROLEIN' , 1 ,'ACROLEIN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'ACRO_PRIMARY' , 56.1 ,'' ,-1 ,'' ,-1 ,'VD_ACROLEIN' , 1 ,'ACROLEIN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'TOLU' , 92.0 ,'' ,-1 ,'' ,-1 ,'VD_TOL' , 1 ,'TOLUENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'HG' ,200.6 ,'' ,-1 ,'' ,-1 ,'VD_HG' , 1 ,'HG' , 1 ,'' ,'HG' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'HGIIAER' ,200.6 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'PHGRXN' ,'' ,'' ,'' ,'' ,'' ,\n'HGIIGAS' ,271.5 ,'' ,-1 ,'' ,-1 ,'VD_HGIIGAS' , 1 ,'HGIIGAS' , 1 ,'' ,'HGIIGAS' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVAVB1' ,198.0 ,'' ,-1 ,'' ,-1 ,'VD_SVAVB1' , 1 ,'SVAVB1' , 1 ,'SVAVB1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVAVB2' ,179.0 ,'' ,-1 ,'' ,-1 ,'VD_SVAVB2' , 1 ,'SVAVB2' , 1 ,'SVAVB2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVAVB3' ,169.0 ,'' ,-1 ,'' ,-1 ,'VD_SVAVB3' , 1 ,'SVAVB3' , 1 ,'SVAVB3' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVAVB4' ,158.0 ,'' ,-1 ,'' ,-1 ,'VD_SVAVB4' , 1 ,'SVAVB4' , 1 ,'SVAVB4' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'DMS' , 62.0 ,'' ,-1 ,'' ,-1 ,'VD_DMS' , 1 ,'DMS' , 1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'MSA' , 96.0 ,'' ,-1 ,'' ,-1 ,'VD_MSA' , 1 ,'MSA' , 1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n/\n" }, { "path": "CCTM/src/MECHS/cb6r5_ae7_aq/NR_cb6r5_ae7_aq.nml", "content": "&NR_nml\n\nNR_SPECIES_DATA = \n\n!SPECIES ,MOLWT ,IC ,IC_FAC ,BC ,BC_FAC ,DRYDEP SURR ,FAC ,WET-SCAV SURR ,FAC ,NR2AE SURR ,NR2AQ SURR,TRNS ,DDEP ,WDEP ,CONC\n'NH3' , 17.0 ,'' ,-1 ,'' ,-1 ,'VD_NH3' , 1 ,'NH3' , 1 ,'NH3' ,'NH3' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVISO1' ,132.0 ,'' ,-1 ,'' ,-1 ,'VD_SVISO1' , 1 ,'SVISO1' , 1 ,'SVISO1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVISO2' ,133.0 ,'' ,-1 ,'' ,-1 ,'VD_SVISO2' , 1 ,'SVISO2' , 1 ,'SVISO2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVSQT' ,273.0 ,'' ,-1 ,'' ,-1 ,'VD_SVSQT' , 1 ,'SVSQT' , 1 ,'SVSQT' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'LVPCSOG',170.0 ,'' ,-1 ,'' ,-1 ,'VD_LVPCSOG' , 1 ,'ADIPIC_ACID' , 1 ,'LVPCSOG' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'SVMT1' ,300.0 ,'' ,-1 ,'' ,-1 ,'VD_SVMT1' , 1 ,'SVMT1' , 1 ,'SVMT1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVMT2' ,200.0 ,'' ,-1 ,'' ,-1 ,'VD_SVMT2' , 1 ,'SVMT2' , 1 ,'SVMT2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVMT3' ,186.0 ,'' ,-1 ,'' ,-1 ,'VD_SVMT3' , 1 ,'SVMT3' , 1 ,'SVMT3' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVMT4' ,184.0 ,'' ,-1 ,'' ,-1 ,'VD_SVMT4' , 1 ,'SVMT4' , 1 ,'SVMT4' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVMT5' ,170.0 ,'' ,-1 ,'' ,-1 ,'VD_SVMT5' , 1 ,'SVMT5' , 1 ,'SVMT5' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVMT6' ,168.0 ,'' ,-1 ,'' ,-1 ,'VD_SVMT6' , 1 ,'SVMT6' , 1 ,'SVMT6' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n/\n" }, { "path": "CCTM/src/MECHS/cb6r5_ae7_aq/RXNS_DATA_MODULE.F90", "content": " MODULE RXNS_DATA\n\n\n IMPLICIT NONE\n\n\n\n! --------- Photochemical Mechanism Reactions, Rates, etc. DAT ---------\n! Source file: /home/bmurphy/cmaq_projects/bicicle_1.7/UTIL/chemmech/input/cb6r5_ae7_aq/mech_cb6r5_ae7_aq.def\n! for Mechanism Name: CB6R5_AE7_AQ \n\n! This file is used to create mechanism data and functions\n\n! The following are reserved symbols declared in this file:\n! MECHNAME = Mechanism name\n! N_GAS_CHEM_SPC = Total number of gas species in chemical mechanism\n! NUMB_MECH_SPC = Total number of species in chemical mechanism\n! N_ACT_SP = Number of active (determined by ODE solver) species in mechanism\n! GAS_CHEM_SPC = Names of gas species in chemical mechanism\n! CHEMISTRY_SPC = Names of species in chemical mechanism\n! CGRID_INDEX = CGRID Index of species in chemical mechanism\n! SPECIES_TYPE = Group or type of species \n! SPECIES_MOLWT = Molecular Weight of species (gm/mole)\n! NRXNS = Number of mechanism reactions\n! ZERO_REACT_REACTIONS = number zero reactant reactions\n! ONE_REACT_REACTIONS = number one reactant reactions\n! TWO_REACT_REACTIONS = number second order reactions\n! THREE_REACT_REACTIONS = number three reactant reactions\n! NSUNLIGHT_RXNS = Number of mechanism reactions requiring sunlight\n! NTHERMAL_RXNS = Number of mechanism reactions not requiring sunlight\n! KUNITS = Units of mechanism reactions\n! KTYPE = Reaction type\n! IRXBITS = Bit test mask vector for selected reactions\n! IORDER = Order of the reaction\n! NTERMS_JACOB = Maximum number of nonzero terms in day/night Jacobian\n! MSTEPS_JACOB = Maximum number of LU Decomposition steps to solve each Jacobian\n! KTN1 = Number of type 1 reactions\n! KRX1 = Reactions list pointer to type 1 reactions\n! KTN2 = Number of type 2 reactions\n! KRX2 = Reactions list pointer to type 2 reactions\n! KTN3 = Number of type 3 reactions\n! KRX3 = Reactions list pointer to type 3 reactions\n! KTN4 = Number of type 4 reactions\n! KRX4 = Reactions list pointer to type 4 reactions\n! KTN5 = Number of type 5 reactions\n! KRX5 = Reactions list pointer to type 5 reactions\n! KTN6 = Number of type 6 reactions\n! KRX6 = Reactions list pointer to type 6 reactions\n! KTN7 = Number of type 7 reactions\n! KRX7 = Reactions list pointer to type 7 reactions\n\n! NWM = Number of air 3-body reactions\n! NRXWM = Reactions list pointer to air 3-body reactions\n! ATM_AIR = air 3-body reactions concentration\n! NWW = Number of H2O 3-body reactions\n! NRXWW = Reactions list pointer to H2O 3-body reactions\n! NWO2 = Number of reactions with O2\n! NRXWO2 = Reactions list pointer to O2 reactions\n! ATM_O2 = Oxygen reactions concentration\n! NWN2 = Number of N2 3-body reactions\n! NRXWN2 = Reactions list pointer to N2 3-body reactions\n! ATM_N2 = Nitrogen 3-body reactions concentration\n! NWCH4 = Number of reactions with CH4\n! NRXWCH4 = Reactions list pointer to CH4 reactions\n! ATM_CH4 = Methane reactions concentration\n! NWH2 = Number of reactions with H2\n! NRXWH2 = Reactions list pointer to H2 reactions\n! ATM_H2 = Hydrogen reactions concentration\n\n! MXPRD = Maximum number of mechanism reaction products\n! IRR = Reactions list pointer to reactants and products\n! RTDAT = Kinetic reaction rates expressions components\n! NFALLOFFF = Number of falloff reactions\n! IRRFALL = Reactions list pointer to falloff reactions\n! RFDAT = Falloff reaction rates expressions components\n! SC = Stoichiometric coefficients\n! NREACT = Number of reactants in each mechanism reaction\n! NPRDCT = Number of products in each mechanism reaction\n! RXLABEL = Character label list for mechanism reactions\n! NMPHOT = Number of mechanism photolytic reactions\n! NPHOTAB = Number of photolytic reactions tables\n! IPH = Reactions list pointer to photolytic reactions and tables\n! MHETERO = Number of mechanism heteorogenous reactions\n! NHETERO = Number of unique heteorogenous rate constants\n! IHETERO = Reactions list pointer to heteorogenous reactions and tables\n\n CHARACTER( 32 ), PARAMETER :: MECHNAME = 'CB6R5_AE7_AQ'\n\n INTEGER, PARAMETER :: N_GAS_CHEM_SPC = 129\n INTEGER, PARAMETER :: NUMB_MECH_SPC = 149\n\n CHARACTER( 16 ) :: GAS_CHEM_SPC( N_GAS_CHEM_SPC )\n CHARACTER( 16 ) :: CHEMISTRY_SPC( NUMB_MECH_SPC )\n CHARACTER( 16 ) :: SPECIES_TYPE( NUMB_MECH_SPC )\n INTEGER :: CGRID_INDEX ( NUMB_MECH_SPC )\n INTEGER :: TYPE_INDEX ( NUMB_MECH_SPC )\n REAL( 8 ) :: SPECIES_MOLWT( NUMB_MECH_SPC )\n LOGICAL :: CONVERT_CONC( NUMB_MECH_SPC )\n\n! The below character and integer arrays list the model species names used in the \n! chemical mechanism. The gas species and their order should agree with \n! the GC_SPC array for the gas phase chemistry to work correctly. \n! If present, the CHEMISTRY_SPC names and species type should agree with the CGRID_SPCS module\n\n DATA GAS_CHEM_SPC( 1 ) / 'NO2 ' /\n DATA GAS_CHEM_SPC( 2 ) / 'NO ' /\n DATA GAS_CHEM_SPC( 3 ) / 'O ' /\n DATA GAS_CHEM_SPC( 4 ) / 'O3 ' /\n DATA GAS_CHEM_SPC( 5 ) / 'NO3 ' /\n DATA GAS_CHEM_SPC( 6 ) / 'O1D ' /\n DATA GAS_CHEM_SPC( 7 ) / 'OH ' /\n DATA GAS_CHEM_SPC( 8 ) / 'HO2 ' /\n DATA GAS_CHEM_SPC( 9 ) / 'H2O2 ' /\n DATA GAS_CHEM_SPC( 10 ) / 'N2O5 ' /\n DATA GAS_CHEM_SPC( 11 ) / 'HNO3 ' /\n DATA GAS_CHEM_SPC( 12 ) / 'HONO ' /\n DATA GAS_CHEM_SPC( 13 ) / 'PNA ' /\n DATA GAS_CHEM_SPC( 14 ) / 'SO2 ' /\n DATA GAS_CHEM_SPC( 15 ) / 'SULF ' /\n DATA GAS_CHEM_SPC( 16 ) / 'SULRXN ' /\n DATA GAS_CHEM_SPC( 17 ) / 'C2O3 ' /\n DATA GAS_CHEM_SPC( 18 ) / 'MEO2 ' /\n DATA GAS_CHEM_SPC( 19 ) / 'RO2 ' /\n DATA GAS_CHEM_SPC( 20 ) / 'PAN ' /\n DATA GAS_CHEM_SPC( 21 ) / 'PACD ' /\n DATA GAS_CHEM_SPC( 22 ) / 'AACD ' /\n DATA GAS_CHEM_SPC( 23 ) / 'CXO3 ' /\n DATA GAS_CHEM_SPC( 24 ) / 'ALD2 ' /\n DATA GAS_CHEM_SPC( 25 ) / 'XO2H ' /\n DATA GAS_CHEM_SPC( 26 ) / 'PANX ' /\n DATA GAS_CHEM_SPC( 27 ) / 'FORM ' /\n DATA GAS_CHEM_SPC( 28 ) / 'MEPX ' /\n DATA GAS_CHEM_SPC( 29 ) / 'MEOH ' /\n DATA GAS_CHEM_SPC( 30 ) / 'ROOH ' /\n DATA GAS_CHEM_SPC( 31 ) / 'XO2 ' /\n DATA GAS_CHEM_SPC( 32 ) / 'XO2N ' /\n DATA GAS_CHEM_SPC( 33 ) / 'NTR1 ' /\n DATA GAS_CHEM_SPC( 34 ) / 'NTR2 ' /\n DATA GAS_CHEM_SPC( 35 ) / 'FACD ' /\n DATA GAS_CHEM_SPC( 36 ) / 'CO ' /\n DATA GAS_CHEM_SPC( 37 ) / 'HCO3 ' /\n DATA GAS_CHEM_SPC( 38 ) / 'ALDX ' /\n DATA GAS_CHEM_SPC( 39 ) / 'GLYD ' /\n DATA GAS_CHEM_SPC( 40 ) / 'GLY ' /\n DATA GAS_CHEM_SPC( 41 ) / 'MGLY ' /\n DATA GAS_CHEM_SPC( 42 ) / 'ETHA ' /\n DATA GAS_CHEM_SPC( 43 ) / 'ETOH ' /\n DATA GAS_CHEM_SPC( 44 ) / 'KET ' /\n DATA GAS_CHEM_SPC( 45 ) / 'PAR ' /\n DATA GAS_CHEM_SPC( 46 ) / 'ACET ' /\n DATA GAS_CHEM_SPC( 47 ) / 'PRPA ' /\n DATA GAS_CHEM_SPC( 48 ) / 'XPRP ' /\n DATA GAS_CHEM_SPC( 49 ) / 'XPAR ' /\n DATA GAS_CHEM_SPC( 50 ) / 'ROR ' /\n DATA GAS_CHEM_SPC( 51 ) / 'ETHY ' /\n DATA GAS_CHEM_SPC( 52 ) / 'ETH ' /\n DATA GAS_CHEM_SPC( 53 ) / 'OLE ' /\n DATA GAS_CHEM_SPC( 54 ) / 'IOLE ' /\n DATA GAS_CHEM_SPC( 55 ) / 'ISOP ' /\n DATA GAS_CHEM_SPC( 56 ) / 'ISO2 ' /\n DATA GAS_CHEM_SPC( 57 ) / 'ISOPRXN ' /\n DATA GAS_CHEM_SPC( 58 ) / 'ISPD ' /\n DATA GAS_CHEM_SPC( 59 ) / 'INTR ' /\n DATA GAS_CHEM_SPC( 60 ) / 'ISPX ' /\n DATA GAS_CHEM_SPC( 61 ) / 'HPLD ' /\n DATA GAS_CHEM_SPC( 62 ) / 'OPO3 ' /\n DATA GAS_CHEM_SPC( 63 ) / 'EPOX ' /\n DATA GAS_CHEM_SPC( 64 ) / 'EPX2 ' /\n DATA GAS_CHEM_SPC( 65 ) / 'TERP ' /\n DATA GAS_CHEM_SPC( 66 ) / 'TRPRXN ' /\n DATA GAS_CHEM_SPC( 67 ) / 'TERPNRO2 ' /\n DATA GAS_CHEM_SPC( 68 ) / 'APIN ' /\n DATA GAS_CHEM_SPC( 69 ) / 'BENZENE ' /\n DATA GAS_CHEM_SPC( 70 ) / 'CRES ' /\n DATA GAS_CHEM_SPC( 71 ) / 'BZO2 ' /\n DATA GAS_CHEM_SPC( 72 ) / 'OPEN ' /\n DATA GAS_CHEM_SPC( 73 ) / 'BENZRO2 ' /\n DATA GAS_CHEM_SPC( 74 ) / 'TOL ' /\n DATA GAS_CHEM_SPC( 75 ) / 'TO2 ' /\n DATA GAS_CHEM_SPC( 76 ) / 'TOLRO2 ' /\n DATA GAS_CHEM_SPC( 77 ) / 'XOPN ' /\n DATA GAS_CHEM_SPC( 78 ) / 'XYLMN ' /\n DATA GAS_CHEM_SPC( 79 ) / 'XLO2 ' /\n DATA GAS_CHEM_SPC( 80 ) / 'XYLRO2 ' /\n DATA GAS_CHEM_SPC( 81 ) / 'NAPH ' /\n DATA GAS_CHEM_SPC( 82 ) / 'PAHRO2 ' /\n DATA GAS_CHEM_SPC( 83 ) / 'CRO ' /\n DATA GAS_CHEM_SPC( 84 ) / 'CAT1 ' /\n DATA GAS_CHEM_SPC( 85 ) / 'CRON ' /\n DATA GAS_CHEM_SPC( 86 ) / 'OPAN ' /\n DATA GAS_CHEM_SPC( 87 ) / 'ECH4 ' /\n DATA GAS_CHEM_SPC( 88 ) / 'CL2 ' /\n DATA GAS_CHEM_SPC( 89 ) / 'CL ' /\n DATA GAS_CHEM_SPC( 90 ) / 'HOCL ' /\n DATA GAS_CHEM_SPC( 91 ) / 'CLO ' /\n DATA GAS_CHEM_SPC( 92 ) / 'FMCL ' /\n DATA GAS_CHEM_SPC( 93 ) / 'HCL ' /\n DATA GAS_CHEM_SPC( 94 ) / 'CLNO2 ' /\n DATA GAS_CHEM_SPC( 95 ) / 'CLNO3 ' /\n DATA GAS_CHEM_SPC( 96 ) / 'SVAVB2 ' /\n DATA GAS_CHEM_SPC( 97 ) / 'SVAVB3 ' /\n DATA GAS_CHEM_SPC( 98 ) / 'SVAVB4 ' /\n DATA GAS_CHEM_SPC( 99 ) / 'SVAVB1 ' /\n DATA GAS_CHEM_SPC( 100 ) / 'SESQ ' /\n DATA GAS_CHEM_SPC( 101 ) / 'SESQRXN ' /\n DATA GAS_CHEM_SPC( 102 ) / 'SOAALK ' /\n DATA GAS_CHEM_SPC( 103 ) / 'H2NO3PIJ ' /\n DATA GAS_CHEM_SPC( 104 ) / 'H2NO3PK ' /\n DATA GAS_CHEM_SPC( 105 ) / 'IEPOXP ' /\n DATA GAS_CHEM_SPC( 106 ) / 'MTNO3 ' /\n DATA GAS_CHEM_SPC( 107 ) / 'PCVOC ' /\n DATA GAS_CHEM_SPC( 108 ) / 'PCSOARXN ' /\n DATA GAS_CHEM_SPC( 109 ) / 'VLVPO1 ' /\n DATA GAS_CHEM_SPC( 110 ) / 'VSVPO1 ' /\n DATA GAS_CHEM_SPC( 111 ) / 'VSVPO2 ' /\n DATA GAS_CHEM_SPC( 112 ) / 'VSVPO3 ' /\n DATA GAS_CHEM_SPC( 113 ) / 'VIVPO1 ' /\n DATA GAS_CHEM_SPC( 114 ) / 'VLVOO1 ' /\n DATA GAS_CHEM_SPC( 115 ) / 'VLVOO2 ' /\n DATA GAS_CHEM_SPC( 116 ) / 'VSVOO2 ' /\n DATA GAS_CHEM_SPC( 117 ) / 'VSVOO3 ' /\n DATA GAS_CHEM_SPC( 118 ) / 'VSVOO1 ' /\n DATA GAS_CHEM_SPC( 119 ) / 'FORM_PRIMARY ' /\n DATA GAS_CHEM_SPC( 120 ) / 'ALD2_PRIMARY ' /\n DATA GAS_CHEM_SPC( 121 ) / 'BUTADIENE13 ' /\n DATA GAS_CHEM_SPC( 122 ) / 'ACROLEIN ' /\n DATA GAS_CHEM_SPC( 123 ) / 'ACRO_PRIMARY ' /\n DATA GAS_CHEM_SPC( 124 ) / 'TOLU ' /\n DATA GAS_CHEM_SPC( 125 ) / 'HG ' /\n DATA GAS_CHEM_SPC( 126 ) / 'HGIIAER ' /\n DATA GAS_CHEM_SPC( 127 ) / 'HGIIGAS ' /\n DATA GAS_CHEM_SPC( 128 ) / 'DMS ' /\n DATA GAS_CHEM_SPC( 129 ) / 'MSA ' /\n\n\n\n\n LOGICAL :: HALOGEN_PARAMETER = .TRUE. \n\n\n! The below character and integer arrays list the model species names used in the \n! chemical mechanism. The gas species and their order should agree with \n! the GC_SPC array for the gas phase chemistry to work correctly. \n! If present, the CHEMISTRY_SPC names and species type should agree with the CGRID_SPCS module\n\n\n! MAPPED_TO_CGRID declares whether CMAQ namelists were used to determine \n! the below values of CGRID_INDEX, SPECIES_TYPE, SPECIES_MOLWT, and CONVERT_CONC\n LOGICAL, PARAMETER, PRIVATE :: F = .FALSE.\n LOGICAL, PARAMETER, PRIVATE :: T = .TRUE.\n\n\n LOGICAL :: MAPPED_TO_CGRID = .FALSE. \n\n TYPE MEMBER\n CHARACTER( 16 ) :: CHEMISTRY_SPC\n INTEGER :: CGRID_INDEX\n CHARACTER( 2 ) :: SPECIES_TYPE\n REAL( 8 ) :: SPECIES_MOLWT\n LOGICAL :: CONVERT_CONC\n END TYPE MEMBER\n TYPE( MEMBER ) :: SPECIES_LIST( NUMB_MECH_SPC ) = (/ &\n & MEMBER(\"NO2 \", 1, \"GC\", 46.00D0, F), &\n & MEMBER(\"NO \", 2, \"GC\", 30.00D0, F), &\n & MEMBER(\"O \", 3, \"GC\", 16.00D0, F), &\n & MEMBER(\"O3 \", 4, \"GC\", 48.00D0, F), &\n & MEMBER(\"NO3 \", 5, \"GC\", 62.00D0, F), &\n & MEMBER(\"O1D \", 6, \"GC\", 16.00D0, F), &\n & MEMBER(\"OH \", 7, \"GC\", 17.00D0, F), &\n & MEMBER(\"HO2 \", 8, \"GC\", 33.00D0, F), &\n & MEMBER(\"H2O2 \", 9, \"GC\", 34.00D0, F), &\n & MEMBER(\"N2O5 \", 10, \"GC\", 108.00D0, F), &\n & MEMBER(\"HNO3 \", 11, \"GC\", 63.00D0, F), &\n & MEMBER(\"HONO \", 12, \"GC\", 47.00D0, F), &\n & MEMBER(\"PNA \", 13, \"GC\", 79.00D0, F), &\n & MEMBER(\"SO2 \", 14, \"GC\", 64.00D0, F), &\n & MEMBER(\"SULF \", 15, \"GC\", 98.00D0, F), &\n & MEMBER(\"SULRXN \", 16, \"GC\", 98.00D0, F), &\n & MEMBER(\"C2O3 \", 17, \"GC\", 75.00D0, F), &\n & MEMBER(\"MEO2 \", 18, \"GC\", 47.00D0, F), &\n & MEMBER(\"RO2 \", 19, \"GC\", 87.10D0, F), &\n & MEMBER(\"PAN \", 20, \"GC\", 121.00D0, F), &\n & MEMBER(\"PACD \", 21, \"GC\", 76.00D0, F), &\n & MEMBER(\"AACD \", 22, \"GC\", 60.00D0, F), &\n & MEMBER(\"CXO3 \", 23, \"GC\", 89.00D0, F), &\n & MEMBER(\"ALD2 \", 24, \"GC\", 44.00D0, F), &\n & MEMBER(\"XO2H \", 25, \"GC\", 87.10D0, F), &\n & MEMBER(\"PANX \", 26, \"GC\", 135.00D0, F), &\n & MEMBER(\"FORM \", 27, \"GC\", 30.00D0, F), &\n & MEMBER(\"MEPX \", 28, \"GC\", 48.00D0, F), &\n & MEMBER(\"MEOH \", 29, \"GC\", 32.00D0, F), &\n & MEMBER(\"ROOH \", 30, \"GC\", 90.10D0, F), &\n & MEMBER(\"XO2 \", 31, \"GC\", 87.10D0, F), &\n & MEMBER(\"XO2N \", 32, \"GC\", 87.10D0, F), &\n & MEMBER(\"NTR1 \", 35, \"GC\", 119.10D0, F), &\n & MEMBER(\"NTR2 \", 36, \"GC\", 135.10D0, F), &\n & MEMBER(\"FACD \", 37, \"GC\", 46.00D0, F), &\n & MEMBER(\"CO \", 38, \"GC\", 28.00D0, F), &\n & MEMBER(\"HCO3 \", 39, \"GC\", 63.00D0, F), &\n & MEMBER(\"ALDX \", 40, \"GC\", 58.10D0, F), &\n & MEMBER(\"GLYD \", 41, \"GC\", 60.00D0, F), &\n & MEMBER(\"GLY \", 42, \"GC\", 58.00D0, F), &\n & MEMBER(\"MGLY \", 43, \"GC\", 72.00D0, F), &\n & MEMBER(\"ETHA \", 44, \"GC\", 30.10D0, F), &\n & MEMBER(\"ETOH \", 45, \"GC\", 46.10D0, F), &\n & MEMBER(\"KET \", 46, \"GC\", 72.10D0, F), &\n & MEMBER(\"PAR \", 47, \"GC\", 14.00D0, F), &\n & MEMBER(\"ACET \", 48, \"GC\", 58.10D0, F), &\n & MEMBER(\"PRPA \", 49, \"GC\", 44.10D0, F), &\n & MEMBER(\"XPRP \", 34, \"GC\", 89.10D0, F), &\n & MEMBER(\"XPAR \", 33, \"GC\", 45.00D0, F), &\n & MEMBER(\"ROR \", 50, \"GC\", 29.00D0, F), &\n & MEMBER(\"ETHY \", 51, \"GC\", 26.00D0, F), &\n & MEMBER(\"ETH \", 52, \"GC\", 28.00D0, F), &\n & MEMBER(\"OLE \", 53, \"GC\", 42.10D0, F), &\n & MEMBER(\"IOLE \", 54, \"GC\", 56.10D0, F), &\n & MEMBER(\"ISOP \", 55, \"GC\", 68.10D0, F), &\n & MEMBER(\"ISO2 \", 56, \"GC\", 117.10D0, F), &\n & MEMBER(\"ISOPRXN \", 57, \"GC\", 68.10D0, F), &\n & MEMBER(\"ISPD \", 58, \"GC\", 70.10D0, F), &\n & MEMBER(\"INTR \", 59, \"GC\", 147.10D0, F), &\n & MEMBER(\"ISPX \", 60, \"GC\", 118.10D0, F), &\n & MEMBER(\"HPLD \", 61, \"GC\", 116.10D0, F), &\n & MEMBER(\"OPO3 \", 62, \"GC\", 115.00D0, F), &\n & MEMBER(\"EPOX \", 63, \"GC\", 118.10D0, F), &\n & MEMBER(\"EPX2 \", 65, \"GC\", 149.10D0, F), &\n & MEMBER(\"TERP \", 66, \"GC\", 136.20D0, F), &\n & MEMBER(\"TRPRXN \", 70, \"GC\", 136.20D0, F), &\n & MEMBER(\"TERPNRO2 \", 68, \"GC\", 197.00D0, F), &\n & MEMBER(\"APIN \", 67, \"GC\", 136.20D0, F), &\n & MEMBER(\"BENZENE \", 71, \"GC\", 78.10D0, F), &\n & MEMBER(\"CRES \", 72, \"GC\", 108.10D0, F), &\n & MEMBER(\"BZO2 \", 73, \"GC\", 159.10D0, F), &\n & MEMBER(\"OPEN \", 74, \"GC\", 84.00D0, F), &\n & MEMBER(\"BENZRO2 \", 75, \"GC\", 127.00D0, F), &\n & MEMBER(\"TOL \", 76, \"GC\", 92.10D0, F), &\n & MEMBER(\"TO2 \", 77, \"GC\", 173.10D0, F), &\n & MEMBER(\"TOLRO2 \", 78, \"GC\", 141.00D0, F), &\n & MEMBER(\"XOPN \", 79, \"GC\", 98.10D0, F), &\n & MEMBER(\"XYLMN \", 80, \"GC\", 106.20D0, F), &\n & MEMBER(\"XLO2 \", 81, \"GC\", 187.10D0, F), &\n & MEMBER(\"XYLRO2 \", 82, \"GC\", 155.00D0, F), &\n & MEMBER(\"NAPH \", 83, \"GC\", 128.20D0, F), &\n & MEMBER(\"PAHRO2 \", 84, \"GC\", 187.20D0, F), &\n & MEMBER(\"CRO \", 85, \"GC\", 107.10D0, F), &\n & MEMBER(\"CAT1 \", 86, \"GC\", 124.10D0, F), &\n & MEMBER(\"CRON \", 87, \"GC\", 153.10D0, F), &\n & MEMBER(\"OPAN \", 88, \"GC\", 161.00D0, F), &\n & MEMBER(\"ECH4 \", 89, \"GC\", 16.00D0, F), &\n & MEMBER(\"CL2 \", 90, \"GC\", 71.00D0, F), &\n & MEMBER(\"CL \", 91, \"GC\", 35.50D0, F), &\n & MEMBER(\"HOCL \", 92, \"GC\", 52.50D0, F), &\n & MEMBER(\"CLO \", 93, \"GC\", 51.50D0, F), &\n & MEMBER(\"FMCL \", 94, \"GC\", 64.50D0, F), &\n & MEMBER(\"HCL \", 95, \"GC\", 36.50D0, F), &\n & MEMBER(\"CLNO2 \", 96, \"GC\", 81.50D0, F), &\n & MEMBER(\"CLNO3 \", 97, \"GC\", 97.50D0, F), &\n & MEMBER(\"SVAVB2 \", 125, \"GC\", 179.00D0, F), &\n & MEMBER(\"SVAVB3 \", 126, \"GC\", 169.00D0, F), &\n & MEMBER(\"SVAVB4 \", 127, \"GC\", 158.00D0, F), &\n & MEMBER(\"SVAVB1 \", 124, \"GC\", 198.00D0, F), &\n & MEMBER(\"SESQ \", 98, \"GC\", 204.00D0, F), &\n & MEMBER(\"SESQRXN \", 99, \"GC\", 204.00D0, F), &\n & MEMBER(\"SOAALK \", 100, \"GC\", 112.00D0, F), &\n & MEMBER(\"H2NO3PIJ \", 101, \"GC\", 64.00D0, F), &\n & MEMBER(\"H2NO3PK \", 102, \"GC\", 64.00D0, F), &\n & MEMBER(\"ACLI \", 142, \"AE\", 35.50D0, T), &\n & MEMBER(\"ACLJ \", 143, \"AE\", 35.50D0, T), &\n & MEMBER(\"ACLK \", 144, \"AE\", 35.50D0, T), &\n & MEMBER(\"IEPOXP \", 64, \"GC\", 118.10D0, F), &\n & MEMBER(\"ASO4J \", 132, \"AE\", 96.00D0, T), &\n & MEMBER(\"AISO3J \", 177, \"AE\", 168.20D0, T), &\n & MEMBER(\"AGLYJ \", 180, \"AE\", 66.40D0, T), &\n & MEMBER(\"MTNO3 \", 69, \"GC\", 231.00D0, F), &\n & MEMBER(\"AMTNO3J \", 181, \"AE\", 231.00D0, T), &\n & MEMBER(\"AMTHYDJ \", 182, \"AE\", 168.00D0, T), &\n & MEMBER(\"AAVB2J \", 206, \"AE\", 179.00D0, T), &\n & MEMBER(\"AOLGAJ \", 178, \"AE\", 206.00D0, T), &\n & MEMBER(\"AAVB3J \", 207, \"AE\", 169.00D0, T), &\n & MEMBER(\"AAVB4J \", 208, \"AE\", 158.00D0, T), &\n & MEMBER(\"AISO1J \", 145, \"AE\", 132.00D0, T), &\n & MEMBER(\"AOLGBJ \", 179, \"AE\", 248.00D0, T), &\n & MEMBER(\"AISO2J \", 146, \"AE\", 133.00D0, T), &\n & MEMBER(\"ASQTJ \", 147, \"AE\", 273.00D0, T), &\n & MEMBER(\"APOCI \", 183, \"AE\", 220.00D0, T), &\n & MEMBER(\"APNCOMI \", 185, \"AE\", 220.00D0, T), &\n & MEMBER(\"APOCJ \", 184, \"AE\", 220.00D0, T), &\n & MEMBER(\"APNCOMJ \", 186, \"AE\", 220.00D0, T), &\n & MEMBER(\"PCVOC \", 113, \"GC\", 170.00D0, F), &\n & MEMBER(\"PCSOARXN \", 114, \"GC\", 170.00D0, F), &\n & MEMBER(\"VLVPO1 \", 103, \"GC\", 218.00D0, F), &\n & MEMBER(\"VSVPO1 \", 104, \"GC\", 230.00D0, F), &\n & MEMBER(\"VSVPO2 \", 105, \"GC\", 241.00D0, F), &\n & MEMBER(\"VSVPO3 \", 106, \"GC\", 253.00D0, F), &\n & MEMBER(\"VIVPO1 \", 107, \"GC\", 266.00D0, F), &\n & MEMBER(\"VLVOO1 \", 108, \"GC\", 136.00D0, F), &\n & MEMBER(\"VLVOO2 \", 109, \"GC\", 136.00D0, F), &\n & MEMBER(\"VSVOO2 \", 111, \"GC\", 135.00D0, F), &\n & MEMBER(\"VSVOO3 \", 112, \"GC\", 134.00D0, F), &\n & MEMBER(\"VSVOO1 \", 110, \"GC\", 135.00D0, F), &\n & MEMBER(\"FORM_PRIMARY \", 115, \"GC\", 30.00D0, F), &\n & MEMBER(\"ALD2_PRIMARY \", 116, \"GC\", 44.00D0, F), &\n & MEMBER(\"BUTADIENE13 \", 117, \"GC\", 54.00D0, F), &\n & MEMBER(\"ACROLEIN \", 118, \"GC\", 56.10D0, F), &\n & MEMBER(\"ACRO_PRIMARY \", 119, \"GC\", 56.10D0, F), &\n & MEMBER(\"TOLU \", 120, \"GC\", 92.00D0, F), &\n & MEMBER(\"HG \", 121, \"GC\", 200.60D0, F), &\n & MEMBER(\"HGIIAER \", 122, \"GC\", 200.60D0, F), &\n & MEMBER(\"HGIIGAS \", 123, \"GC\", 271.50D0, F), &\n & MEMBER(\"DMS \", 128, \"GC\", 62.00D0, F), &\n & MEMBER(\"MSA \", 129, \"GC\", 96.00D0, F) /)\n\n DATA CHEMISTRY_SPC( 1 ), SPECIES_MOLWT( 1 ) / 'NO2 ', 46.00D0 /\n DATA CHEMISTRY_SPC( 2 ), SPECIES_MOLWT( 2 ) / 'NO ', 30.00D0 /\n DATA CHEMISTRY_SPC( 3 ), SPECIES_MOLWT( 3 ) / 'O ', 16.00D0 /\n DATA CHEMISTRY_SPC( 4 ), SPECIES_MOLWT( 4 ) / 'O3 ', 48.00D0 /\n DATA CHEMISTRY_SPC( 5 ), SPECIES_MOLWT( 5 ) / 'NO3 ', 62.00D0 /\n DATA CHEMISTRY_SPC( 6 ), SPECIES_MOLWT( 6 ) / 'O1D ', 16.00D0 /\n DATA CHEMISTRY_SPC( 7 ), SPECIES_MOLWT( 7 ) / 'OH ', 17.00D0 /\n DATA CHEMISTRY_SPC( 8 ), SPECIES_MOLWT( 8 ) / 'HO2 ', 33.00D0 /\n DATA CHEMISTRY_SPC( 9 ), SPECIES_MOLWT( 9 ) / 'H2O2 ', 34.00D0 /\n DATA CHEMISTRY_SPC( 10 ), SPECIES_MOLWT( 10 ) / 'N2O5 ', 108.00D0 /\n DATA CHEMISTRY_SPC( 11 ), SPECIES_MOLWT( 11 ) / 'HNO3 ', 63.00D0 /\n DATA CHEMISTRY_SPC( 12 ), SPECIES_MOLWT( 12 ) / 'HONO ', 47.00D0 /\n DATA CHEMISTRY_SPC( 13 ), SPECIES_MOLWT( 13 ) / 'PNA ', 79.00D0 /\n DATA CHEMISTRY_SPC( 14 ), SPECIES_MOLWT( 14 ) / 'SO2 ', 64.00D0 /\n DATA CHEMISTRY_SPC( 15 ), SPECIES_MOLWT( 15 ) / 'SULF ', 98.00D0 /\n DATA CHEMISTRY_SPC( 16 ), SPECIES_MOLWT( 16 ) / 'SULRXN ', 98.00D0 /\n DATA CHEMISTRY_SPC( 17 ), SPECIES_MOLWT( 17 ) / 'C2O3 ', 75.00D0 /\n DATA CHEMISTRY_SPC( 18 ), SPECIES_MOLWT( 18 ) / 'MEO2 ', 47.00D0 /\n DATA CHEMISTRY_SPC( 19 ), SPECIES_MOLWT( 19 ) / 'RO2 ', 87.10D0 /\n DATA CHEMISTRY_SPC( 20 ), SPECIES_MOLWT( 20 ) / 'PAN ', 121.00D0 /\n DATA CHEMISTRY_SPC( 21 ), SPECIES_MOLWT( 21 ) / 'PACD ', 76.00D0 /\n DATA CHEMISTRY_SPC( 22 ), SPECIES_MOLWT( 22 ) / 'AACD ', 60.00D0 /\n DATA CHEMISTRY_SPC( 23 ), SPECIES_MOLWT( 23 ) / 'CXO3 ', 89.00D0 /\n DATA CHEMISTRY_SPC( 24 ), SPECIES_MOLWT( 24 ) / 'ALD2 ', 44.00D0 /\n DATA CHEMISTRY_SPC( 25 ), SPECIES_MOLWT( 25 ) / 'XO2H ', 87.10D0 /\n DATA CHEMISTRY_SPC( 26 ), SPECIES_MOLWT( 26 ) / 'PANX ', 135.00D0 /\n DATA CHEMISTRY_SPC( 27 ), SPECIES_MOLWT( 27 ) / 'FORM ', 30.00D0 /\n DATA CHEMISTRY_SPC( 28 ), SPECIES_MOLWT( 28 ) / 'MEPX ', 48.00D0 /\n DATA CHEMISTRY_SPC( 29 ), SPECIES_MOLWT( 29 ) / 'MEOH ', 32.00D0 /\n DATA CHEMISTRY_SPC( 30 ), SPECIES_MOLWT( 30 ) / 'ROOH ', 90.10D0 /\n DATA CHEMISTRY_SPC( 31 ), SPECIES_MOLWT( 31 ) / 'XO2 ', 87.10D0 /\n DATA CHEMISTRY_SPC( 32 ), SPECIES_MOLWT( 32 ) / 'XO2N ', 87.10D0 /\n DATA CHEMISTRY_SPC( 33 ), SPECIES_MOLWT( 33 ) / 'NTR1 ', 119.10D0 /\n DATA CHEMISTRY_SPC( 34 ), SPECIES_MOLWT( 34 ) / 'NTR2 ', 135.10D0 /\n DATA CHEMISTRY_SPC( 35 ), SPECIES_MOLWT( 35 ) / 'FACD ', 46.00D0 /\n DATA CHEMISTRY_SPC( 36 ), SPECIES_MOLWT( 36 ) / 'CO ', 28.00D0 /\n DATA CHEMISTRY_SPC( 37 ), SPECIES_MOLWT( 37 ) / 'HCO3 ', 63.00D0 /\n DATA CHEMISTRY_SPC( 38 ), SPECIES_MOLWT( 38 ) / 'ALDX ', 58.10D0 /\n DATA CHEMISTRY_SPC( 39 ), SPECIES_MOLWT( 39 ) / 'GLYD ', 60.00D0 /\n DATA CHEMISTRY_SPC( 40 ), SPECIES_MOLWT( 40 ) / 'GLY ', 58.00D0 /\n DATA CHEMISTRY_SPC( 41 ), SPECIES_MOLWT( 41 ) / 'MGLY ', 72.00D0 /\n DATA CHEMISTRY_SPC( 42 ), SPECIES_MOLWT( 42 ) / 'ETHA ', 30.10D0 /\n DATA CHEMISTRY_SPC( 43 ), SPECIES_MOLWT( 43 ) / 'ETOH ', 46.10D0 /\n DATA CHEMISTRY_SPC( 44 ), SPECIES_MOLWT( 44 ) / 'KET ', 72.10D0 /\n DATA CHEMISTRY_SPC( 45 ), SPECIES_MOLWT( 45 ) / 'PAR ', 14.00D0 /\n DATA CHEMISTRY_SPC( 46 ), SPECIES_MOLWT( 46 ) / 'ACET ', 58.10D0 /\n DATA CHEMISTRY_SPC( 47 ), SPECIES_MOLWT( 47 ) / 'PRPA ', 44.10D0 /\n DATA CHEMISTRY_SPC( 48 ), SPECIES_MOLWT( 48 ) / 'XPRP ', 89.10D0 /\n DATA CHEMISTRY_SPC( 49 ), SPECIES_MOLWT( 49 ) / 'XPAR ', 45.00D0 /\n DATA CHEMISTRY_SPC( 50 ), SPECIES_MOLWT( 50 ) / 'ROR ', 29.00D0 /\n DATA CHEMISTRY_SPC( 51 ), SPECIES_MOLWT( 51 ) / 'ETHY ', 26.00D0 /\n DATA CHEMISTRY_SPC( 52 ), SPECIES_MOLWT( 52 ) / 'ETH ', 28.00D0 /\n DATA CHEMISTRY_SPC( 53 ), SPECIES_MOLWT( 53 ) / 'OLE ', 42.10D0 /\n DATA CHEMISTRY_SPC( 54 ), SPECIES_MOLWT( 54 ) / 'IOLE ', 56.10D0 /\n DATA CHEMISTRY_SPC( 55 ), SPECIES_MOLWT( 55 ) / 'ISOP ', 68.10D0 /\n DATA CHEMISTRY_SPC( 56 ), SPECIES_MOLWT( 56 ) / 'ISO2 ', 117.10D0 /\n DATA CHEMISTRY_SPC( 57 ), SPECIES_MOLWT( 57 ) / 'ISOPRXN ', 68.10D0 /\n DATA CHEMISTRY_SPC( 58 ), SPECIES_MOLWT( 58 ) / 'ISPD ', 70.10D0 /\n DATA CHEMISTRY_SPC( 59 ), SPECIES_MOLWT( 59 ) / 'INTR ', 147.10D0 /\n DATA CHEMISTRY_SPC( 60 ), SPECIES_MOLWT( 60 ) / 'ISPX ', 118.10D0 /\n DATA CHEMISTRY_SPC( 61 ), SPECIES_MOLWT( 61 ) / 'HPLD ', 116.10D0 /\n DATA CHEMISTRY_SPC( 62 ), SPECIES_MOLWT( 62 ) / 'OPO3 ', 115.00D0 /\n DATA CHEMISTRY_SPC( 63 ), SPECIES_MOLWT( 63 ) / 'EPOX ', 118.10D0 /\n DATA CHEMISTRY_SPC( 64 ), SPECIES_MOLWT( 64 ) / 'EPX2 ', 149.10D0 /\n DATA CHEMISTRY_SPC( 65 ), SPECIES_MOLWT( 65 ) / 'TERP ', 136.20D0 /\n DATA CHEMISTRY_SPC( 66 ), SPECIES_MOLWT( 66 ) / 'TRPRXN ', 136.20D0 /\n DATA CHEMISTRY_SPC( 67 ), SPECIES_MOLWT( 67 ) / 'TERPNRO2 ', 197.00D0 /\n DATA CHEMISTRY_SPC( 68 ), SPECIES_MOLWT( 68 ) / 'APIN ', 136.20D0 /\n DATA CHEMISTRY_SPC( 69 ), SPECIES_MOLWT( 69 ) / 'BENZENE ', 78.10D0 /\n DATA CHEMISTRY_SPC( 70 ), SPECIES_MOLWT( 70 ) / 'CRES ', 108.10D0 /\n DATA CHEMISTRY_SPC( 71 ), SPECIES_MOLWT( 71 ) / 'BZO2 ', 159.10D0 /\n DATA CHEMISTRY_SPC( 72 ), SPECIES_MOLWT( 72 ) / 'OPEN ', 84.00D0 /\n DATA CHEMISTRY_SPC( 73 ), SPECIES_MOLWT( 73 ) / 'BENZRO2 ', 127.00D0 /\n DATA CHEMISTRY_SPC( 74 ), SPECIES_MOLWT( 74 ) / 'TOL ', 92.10D0 /\n DATA CHEMISTRY_SPC( 75 ), SPECIES_MOLWT( 75 ) / 'TO2 ', 173.10D0 /\n DATA CHEMISTRY_SPC( 76 ), SPECIES_MOLWT( 76 ) / 'TOLRO2 ', 141.00D0 /\n DATA CHEMISTRY_SPC( 77 ), SPECIES_MOLWT( 77 ) / 'XOPN ', 98.10D0 /\n DATA CHEMISTRY_SPC( 78 ), SPECIES_MOLWT( 78 ) / 'XYLMN ', 106.20D0 /\n DATA CHEMISTRY_SPC( 79 ), SPECIES_MOLWT( 79 ) / 'XLO2 ', 187.10D0 /\n DATA CHEMISTRY_SPC( 80 ), SPECIES_MOLWT( 80 ) / 'XYLRO2 ', 155.00D0 /\n DATA CHEMISTRY_SPC( 81 ), SPECIES_MOLWT( 81 ) / 'NAPH ', 128.20D0 /\n DATA CHEMISTRY_SPC( 82 ), SPECIES_MOLWT( 82 ) / 'PAHRO2 ', 187.20D0 /\n DATA CHEMISTRY_SPC( 83 ), SPECIES_MOLWT( 83 ) / 'CRO ', 107.10D0 /\n DATA CHEMISTRY_SPC( 84 ), SPECIES_MOLWT( 84 ) / 'CAT1 ', 124.10D0 /\n DATA CHEMISTRY_SPC( 85 ), SPECIES_MOLWT( 85 ) / 'CRON ', 153.10D0 /\n DATA CHEMISTRY_SPC( 86 ), SPECIES_MOLWT( 86 ) / 'OPAN ', 161.00D0 /\n DATA CHEMISTRY_SPC( 87 ), SPECIES_MOLWT( 87 ) / 'ECH4 ', 16.00D0 /\n DATA CHEMISTRY_SPC( 88 ), SPECIES_MOLWT( 88 ) / 'CL2 ', 71.00D0 /\n DATA CHEMISTRY_SPC( 89 ), SPECIES_MOLWT( 89 ) / 'CL ', 35.50D0 /\n DATA CHEMISTRY_SPC( 90 ), SPECIES_MOLWT( 90 ) / 'HOCL ', 52.50D0 /\n DATA CHEMISTRY_SPC( 91 ), SPECIES_MOLWT( 91 ) / 'CLO ', 51.50D0 /\n DATA CHEMISTRY_SPC( 92 ), SPECIES_MOLWT( 92 ) / 'FMCL ', 64.50D0 /\n DATA CHEMISTRY_SPC( 93 ), SPECIES_MOLWT( 93 ) / 'HCL ', 36.50D0 /\n DATA CHEMISTRY_SPC( 94 ), SPECIES_MOLWT( 94 ) / 'CLNO2 ', 81.50D0 /\n DATA CHEMISTRY_SPC( 95 ), SPECIES_MOLWT( 95 ) / 'CLNO3 ', 97.50D0 /\n DATA CHEMISTRY_SPC( 96 ), SPECIES_MOLWT( 96 ) / 'SVAVB2 ', 179.00D0 /\n DATA CHEMISTRY_SPC( 97 ), SPECIES_MOLWT( 97 ) / 'SVAVB3 ', 169.00D0 /\n DATA CHEMISTRY_SPC( 98 ), SPECIES_MOLWT( 98 ) / 'SVAVB4 ', 158.00D0 /\n DATA CHEMISTRY_SPC( 99 ), SPECIES_MOLWT( 99 ) / 'SVAVB1 ', 198.00D0 /\n DATA CHEMISTRY_SPC( 100 ), SPECIES_MOLWT( 100 ) / 'SESQ ', 204.00D0 /\n DATA CHEMISTRY_SPC( 101 ), SPECIES_MOLWT( 101 ) / 'SESQRXN ', 204.00D0 /\n DATA CHEMISTRY_SPC( 102 ), SPECIES_MOLWT( 102 ) / 'SOAALK ', 112.00D0 /\n DATA CHEMISTRY_SPC( 103 ), SPECIES_MOLWT( 103 ) / 'H2NO3PIJ ', 64.00D0 /\n DATA CHEMISTRY_SPC( 104 ), SPECIES_MOLWT( 104 ) / 'H2NO3PK ', 64.00D0 /\n DATA CHEMISTRY_SPC( 105 ), SPECIES_MOLWT( 105 ) / 'ACLI ', 35.50D0 /\n DATA CHEMISTRY_SPC( 106 ), SPECIES_MOLWT( 106 ) / 'ACLJ ', 35.50D0 /\n DATA CHEMISTRY_SPC( 107 ), SPECIES_MOLWT( 107 ) / 'ACLK ', 35.50D0 /\n DATA CHEMISTRY_SPC( 108 ), SPECIES_MOLWT( 108 ) / 'IEPOXP ', 118.10D0 /\n DATA CHEMISTRY_SPC( 109 ), SPECIES_MOLWT( 109 ) / 'ASO4J ', 96.00D0 /\n DATA CHEMISTRY_SPC( 110 ), SPECIES_MOLWT( 110 ) / 'AISO3J ', 168.20D0 /\n DATA CHEMISTRY_SPC( 111 ), SPECIES_MOLWT( 111 ) / 'AGLYJ ', 66.40D0 /\n DATA CHEMISTRY_SPC( 112 ), SPECIES_MOLWT( 112 ) / 'MTNO3 ', 231.00D0 /\n DATA CHEMISTRY_SPC( 113 ), SPECIES_MOLWT( 113 ) / 'AMTNO3J ', 231.00D0 /\n DATA CHEMISTRY_SPC( 114 ), SPECIES_MOLWT( 114 ) / 'AMTHYDJ ', 168.00D0 /\n DATA CHEMISTRY_SPC( 115 ), SPECIES_MOLWT( 115 ) / 'AAVB2J ', 179.00D0 /\n DATA CHEMISTRY_SPC( 116 ), SPECIES_MOLWT( 116 ) / 'AOLGAJ ', 206.00D0 /\n DATA CHEMISTRY_SPC( 117 ), SPECIES_MOLWT( 117 ) / 'AAVB3J ', 169.00D0 /\n DATA CHEMISTRY_SPC( 118 ), SPECIES_MOLWT( 118 ) / 'AAVB4J ', 158.00D0 /\n DATA CHEMISTRY_SPC( 119 ), SPECIES_MOLWT( 119 ) / 'AISO1J ', 132.00D0 /\n DATA CHEMISTRY_SPC( 120 ), SPECIES_MOLWT( 120 ) / 'AOLGBJ ', 248.00D0 /\n DATA CHEMISTRY_SPC( 121 ), SPECIES_MOLWT( 121 ) / 'AISO2J ', 133.00D0 /\n DATA CHEMISTRY_SPC( 122 ), SPECIES_MOLWT( 122 ) / 'ASQTJ ', 273.00D0 /\n DATA CHEMISTRY_SPC( 123 ), SPECIES_MOLWT( 123 ) / 'APOCI ', 220.00D0 /\n DATA CHEMISTRY_SPC( 124 ), SPECIES_MOLWT( 124 ) / 'APNCOMI ', 220.00D0 /\n DATA CHEMISTRY_SPC( 125 ), SPECIES_MOLWT( 125 ) / 'APOCJ ', 220.00D0 /\n DATA CHEMISTRY_SPC( 126 ), SPECIES_MOLWT( 126 ) / 'APNCOMJ ', 220.00D0 /\n DATA CHEMISTRY_SPC( 127 ), SPECIES_MOLWT( 127 ) / 'PCVOC ', 170.00D0 /\n DATA CHEMISTRY_SPC( 128 ), SPECIES_MOLWT( 128 ) / 'PCSOARXN ', 170.00D0 /\n DATA CHEMISTRY_SPC( 129 ), SPECIES_MOLWT( 129 ) / 'VLVPO1 ', 218.00D0 /\n DATA CHEMISTRY_SPC( 130 ), SPECIES_MOLWT( 130 ) / 'VSVPO1 ', 230.00D0 /\n DATA CHEMISTRY_SPC( 131 ), SPECIES_MOLWT( 131 ) / 'VSVPO2 ', 241.00D0 /\n DATA CHEMISTRY_SPC( 132 ), SPECIES_MOLWT( 132 ) / 'VSVPO3 ', 253.00D0 /\n DATA CHEMISTRY_SPC( 133 ), SPECIES_MOLWT( 133 ) / 'VIVPO1 ', 266.00D0 /\n DATA CHEMISTRY_SPC( 134 ), SPECIES_MOLWT( 134 ) / 'VLVOO1 ', 136.00D0 /\n DATA CHEMISTRY_SPC( 135 ), SPECIES_MOLWT( 135 ) / 'VLVOO2 ', 136.00D0 /\n DATA CHEMISTRY_SPC( 136 ), SPECIES_MOLWT( 136 ) / 'VSVOO2 ', 135.00D0 /\n DATA CHEMISTRY_SPC( 137 ), SPECIES_MOLWT( 137 ) / 'VSVOO3 ', 134.00D0 /\n DATA CHEMISTRY_SPC( 138 ), SPECIES_MOLWT( 138 ) / 'VSVOO1 ', 135.00D0 /\n DATA CHEMISTRY_SPC( 139 ), SPECIES_MOLWT( 139 ) / 'FORM_PRIMARY ', 30.00D0 /\n DATA CHEMISTRY_SPC( 140 ), SPECIES_MOLWT( 140 ) / 'ALD2_PRIMARY ', 44.00D0 /\n DATA CHEMISTRY_SPC( 141 ), SPECIES_MOLWT( 141 ) / 'BUTADIENE13 ', 54.00D0 /\n DATA CHEMISTRY_SPC( 142 ), SPECIES_MOLWT( 142 ) / 'ACROLEIN ', 56.10D0 /\n DATA CHEMISTRY_SPC( 143 ), SPECIES_MOLWT( 143 ) / 'ACRO_PRIMARY ', 56.10D0 /\n DATA CHEMISTRY_SPC( 144 ), SPECIES_MOLWT( 144 ) / 'TOLU ', 92.00D0 /\n DATA CHEMISTRY_SPC( 145 ), SPECIES_MOLWT( 145 ) / 'HG ', 200.60D0 /\n DATA CHEMISTRY_SPC( 146 ), SPECIES_MOLWT( 146 ) / 'HGIIAER ', 200.60D0 /\n DATA CHEMISTRY_SPC( 147 ), SPECIES_MOLWT( 147 ) / 'HGIIGAS ', 271.50D0 /\n DATA CHEMISTRY_SPC( 148 ), SPECIES_MOLWT( 148 ) / 'DMS ', 62.00D0 /\n DATA CHEMISTRY_SPC( 149 ), SPECIES_MOLWT( 149 ) / 'MSA ', 96.00D0 /\n\n\n DATA CGRID_INDEX( 1 ), SPECIES_TYPE( 1 ), CONVERT_CONC( 1 ) / 1, 'GC', F / ! NO2\n DATA CGRID_INDEX( 2 ), SPECIES_TYPE( 2 ), CONVERT_CONC( 2 ) / 2, 'GC', F / ! NO\n DATA CGRID_INDEX( 3 ), SPECIES_TYPE( 3 ), CONVERT_CONC( 3 ) / 3, 'GC', F / ! O\n DATA CGRID_INDEX( 4 ), SPECIES_TYPE( 4 ), CONVERT_CONC( 4 ) / 4, 'GC', F / ! O3\n DATA CGRID_INDEX( 5 ), SPECIES_TYPE( 5 ), CONVERT_CONC( 5 ) / 5, 'GC', F / ! NO3\n DATA CGRID_INDEX( 6 ), SPECIES_TYPE( 6 ), CONVERT_CONC( 6 ) / 6, 'GC', F / ! O1D\n DATA CGRID_INDEX( 7 ), SPECIES_TYPE( 7 ), CONVERT_CONC( 7 ) / 7, 'GC', F / ! OH\n DATA CGRID_INDEX( 8 ), SPECIES_TYPE( 8 ), CONVERT_CONC( 8 ) / 8, 'GC', F / ! HO2\n DATA CGRID_INDEX( 9 ), SPECIES_TYPE( 9 ), CONVERT_CONC( 9 ) / 9, 'GC', F / ! H2O2\n DATA CGRID_INDEX( 10 ), SPECIES_TYPE( 10 ), CONVERT_CONC( 10 ) / 10, 'GC', F / ! N2O5\n DATA CGRID_INDEX( 11 ), SPECIES_TYPE( 11 ), CONVERT_CONC( 11 ) / 11, 'GC', F / ! HNO3\n DATA CGRID_INDEX( 12 ), SPECIES_TYPE( 12 ), CONVERT_CONC( 12 ) / 12, 'GC', F / ! HONO\n DATA CGRID_INDEX( 13 ), SPECIES_TYPE( 13 ), CONVERT_CONC( 13 ) / 13, 'GC', F / ! PNA\n DATA CGRID_INDEX( 14 ), SPECIES_TYPE( 14 ), CONVERT_CONC( 14 ) / 14, 'GC', F / ! SO2\n DATA CGRID_INDEX( 15 ), SPECIES_TYPE( 15 ), CONVERT_CONC( 15 ) / 15, 'GC', F / ! SULF\n DATA CGRID_INDEX( 16 ), SPECIES_TYPE( 16 ), CONVERT_CONC( 16 ) / 16, 'GC', F / ! SULRXN\n DATA CGRID_INDEX( 17 ), SPECIES_TYPE( 17 ), CONVERT_CONC( 17 ) / 17, 'GC', F / ! C2O3\n DATA CGRID_INDEX( 18 ), SPECIES_TYPE( 18 ), CONVERT_CONC( 18 ) / 18, 'GC', F / ! MEO2\n DATA CGRID_INDEX( 19 ), SPECIES_TYPE( 19 ), CONVERT_CONC( 19 ) / 19, 'GC', F / ! RO2\n DATA CGRID_INDEX( 20 ), SPECIES_TYPE( 20 ), CONVERT_CONC( 20 ) / 20, 'GC', F / ! PAN\n DATA CGRID_INDEX( 21 ), SPECIES_TYPE( 21 ), CONVERT_CONC( 21 ) / 21, 'GC', F / ! PACD\n DATA CGRID_INDEX( 22 ), SPECIES_TYPE( 22 ), CONVERT_CONC( 22 ) / 22, 'GC', F / ! AACD\n DATA CGRID_INDEX( 23 ), SPECIES_TYPE( 23 ), CONVERT_CONC( 23 ) / 23, 'GC', F / ! CXO3\n DATA CGRID_INDEX( 24 ), SPECIES_TYPE( 24 ), CONVERT_CONC( 24 ) / 24, 'GC', F / ! ALD2\n DATA CGRID_INDEX( 25 ), SPECIES_TYPE( 25 ), CONVERT_CONC( 25 ) / 25, 'GC', F / ! XO2H\n DATA CGRID_INDEX( 26 ), SPECIES_TYPE( 26 ), CONVERT_CONC( 26 ) / 26, 'GC', F / ! PANX\n DATA CGRID_INDEX( 27 ), SPECIES_TYPE( 27 ), CONVERT_CONC( 27 ) / 27, 'GC', F / ! FORM\n DATA CGRID_INDEX( 28 ), SPECIES_TYPE( 28 ), CONVERT_CONC( 28 ) / 28, 'GC', F / ! MEPX\n DATA CGRID_INDEX( 29 ), SPECIES_TYPE( 29 ), CONVERT_CONC( 29 ) / 29, 'GC', F / ! MEOH\n DATA CGRID_INDEX( 30 ), SPECIES_TYPE( 30 ), CONVERT_CONC( 30 ) / 30, 'GC', F / ! ROOH\n DATA CGRID_INDEX( 31 ), SPECIES_TYPE( 31 ), CONVERT_CONC( 31 ) / 31, 'GC', F / ! XO2\n DATA CGRID_INDEX( 32 ), SPECIES_TYPE( 32 ), CONVERT_CONC( 32 ) / 32, 'GC', F / ! XO2N\n DATA CGRID_INDEX( 33 ), SPECIES_TYPE( 33 ), CONVERT_CONC( 33 ) / 35, 'GC', F / ! NTR1\n DATA CGRID_INDEX( 34 ), SPECIES_TYPE( 34 ), CONVERT_CONC( 34 ) / 36, 'GC', F / ! NTR2\n DATA CGRID_INDEX( 35 ), SPECIES_TYPE( 35 ), CONVERT_CONC( 35 ) / 37, 'GC', F / ! FACD\n DATA CGRID_INDEX( 36 ), SPECIES_TYPE( 36 ), CONVERT_CONC( 36 ) / 38, 'GC', F / ! CO\n DATA CGRID_INDEX( 37 ), SPECIES_TYPE( 37 ), CONVERT_CONC( 37 ) / 39, 'GC', F / ! HCO3\n DATA CGRID_INDEX( 38 ), SPECIES_TYPE( 38 ), CONVERT_CONC( 38 ) / 40, 'GC', F / ! ALDX\n DATA CGRID_INDEX( 39 ), SPECIES_TYPE( 39 ), CONVERT_CONC( 39 ) / 41, 'GC', F / ! GLYD\n DATA CGRID_INDEX( 40 ), SPECIES_TYPE( 40 ), CONVERT_CONC( 40 ) / 42, 'GC', F / ! GLY\n DATA CGRID_INDEX( 41 ), SPECIES_TYPE( 41 ), CONVERT_CONC( 41 ) / 43, 'GC', F / ! MGLY\n DATA CGRID_INDEX( 42 ), SPECIES_TYPE( 42 ), CONVERT_CONC( 42 ) / 44, 'GC', F / ! ETHA\n DATA CGRID_INDEX( 43 ), SPECIES_TYPE( 43 ), CONVERT_CONC( 43 ) / 45, 'GC', F / ! ETOH\n DATA CGRID_INDEX( 44 ), SPECIES_TYPE( 44 ), CONVERT_CONC( 44 ) / 46, 'GC', F / ! KET\n DATA CGRID_INDEX( 45 ), SPECIES_TYPE( 45 ), CONVERT_CONC( 45 ) / 47, 'GC', F / ! PAR\n DATA CGRID_INDEX( 46 ), SPECIES_TYPE( 46 ), CONVERT_CONC( 46 ) / 48, 'GC', F / ! ACET\n DATA CGRID_INDEX( 47 ), SPECIES_TYPE( 47 ), CONVERT_CONC( 47 ) / 49, 'GC', F / ! PRPA\n DATA CGRID_INDEX( 48 ), SPECIES_TYPE( 48 ), CONVERT_CONC( 48 ) / 34, 'GC', F / ! XPRP\n DATA CGRID_INDEX( 49 ), SPECIES_TYPE( 49 ), CONVERT_CONC( 49 ) / 33, 'GC', F / ! XPAR\n DATA CGRID_INDEX( 50 ), SPECIES_TYPE( 50 ), CONVERT_CONC( 50 ) / 50, 'GC', F / ! ROR\n DATA CGRID_INDEX( 51 ), SPECIES_TYPE( 51 ), CONVERT_CONC( 51 ) / 51, 'GC', F / ! ETHY\n DATA CGRID_INDEX( 52 ), SPECIES_TYPE( 52 ), CONVERT_CONC( 52 ) / 52, 'GC', F / ! ETH\n DATA CGRID_INDEX( 53 ), SPECIES_TYPE( 53 ), CONVERT_CONC( 53 ) / 53, 'GC', F / ! OLE\n DATA CGRID_INDEX( 54 ), SPECIES_TYPE( 54 ), CONVERT_CONC( 54 ) / 54, 'GC', F / ! IOLE\n DATA CGRID_INDEX( 55 ), SPECIES_TYPE( 55 ), CONVERT_CONC( 55 ) / 55, 'GC', F / ! ISOP\n DATA CGRID_INDEX( 56 ), SPECIES_TYPE( 56 ), CONVERT_CONC( 56 ) / 56, 'GC', F / ! ISO2\n DATA CGRID_INDEX( 57 ), SPECIES_TYPE( 57 ), CONVERT_CONC( 57 ) / 57, 'GC', F / ! ISOPRXN\n DATA CGRID_INDEX( 58 ), SPECIES_TYPE( 58 ), CONVERT_CONC( 58 ) / 58, 'GC', F / ! ISPD\n DATA CGRID_INDEX( 59 ), SPECIES_TYPE( 59 ), CONVERT_CONC( 59 ) / 59, 'GC', F / ! INTR\n DATA CGRID_INDEX( 60 ), SPECIES_TYPE( 60 ), CONVERT_CONC( 60 ) / 60, 'GC', F / ! ISPX\n DATA CGRID_INDEX( 61 ), SPECIES_TYPE( 61 ), CONVERT_CONC( 61 ) / 61, 'GC', F / ! HPLD\n DATA CGRID_INDEX( 62 ), SPECIES_TYPE( 62 ), CONVERT_CONC( 62 ) / 62, 'GC', F / ! OPO3\n DATA CGRID_INDEX( 63 ), SPECIES_TYPE( 63 ), CONVERT_CONC( 63 ) / 63, 'GC', F / ! EPOX\n DATA CGRID_INDEX( 64 ), SPECIES_TYPE( 64 ), CONVERT_CONC( 64 ) / 65, 'GC', F / ! EPX2\n DATA CGRID_INDEX( 65 ), SPECIES_TYPE( 65 ), CONVERT_CONC( 65 ) / 66, 'GC', F / ! TERP\n DATA CGRID_INDEX( 66 ), SPECIES_TYPE( 66 ), CONVERT_CONC( 66 ) / 70, 'GC', F / ! TRPRXN\n DATA CGRID_INDEX( 67 ), SPECIES_TYPE( 67 ), CONVERT_CONC( 67 ) / 68, 'GC', F / ! TERPNRO2\n DATA CGRID_INDEX( 68 ), SPECIES_TYPE( 68 ), CONVERT_CONC( 68 ) / 67, 'GC', F / ! APIN\n DATA CGRID_INDEX( 69 ), SPECIES_TYPE( 69 ), CONVERT_CONC( 69 ) / 71, 'GC', F / ! BENZENE\n DATA CGRID_INDEX( 70 ), SPECIES_TYPE( 70 ), CONVERT_CONC( 70 ) / 72, 'GC', F / ! CRES\n DATA CGRID_INDEX( 71 ), SPECIES_TYPE( 71 ), CONVERT_CONC( 71 ) / 73, 'GC', F / ! BZO2\n DATA CGRID_INDEX( 72 ), SPECIES_TYPE( 72 ), CONVERT_CONC( 72 ) / 74, 'GC', F / ! OPEN\n DATA CGRID_INDEX( 73 ), SPECIES_TYPE( 73 ), CONVERT_CONC( 73 ) / 75, 'GC', F / ! BENZRO2\n DATA CGRID_INDEX( 74 ), SPECIES_TYPE( 74 ), CONVERT_CONC( 74 ) / 76, 'GC', F / ! TOL\n DATA CGRID_INDEX( 75 ), SPECIES_TYPE( 75 ), CONVERT_CONC( 75 ) / 77, 'GC', F / ! TO2\n DATA CGRID_INDEX( 76 ), SPECIES_TYPE( 76 ), CONVERT_CONC( 76 ) / 78, 'GC', F / ! TOLRO2\n DATA CGRID_INDEX( 77 ), SPECIES_TYPE( 77 ), CONVERT_CONC( 77 ) / 79, 'GC', F / ! XOPN\n DATA CGRID_INDEX( 78 ), SPECIES_TYPE( 78 ), CONVERT_CONC( 78 ) / 80, 'GC', F / ! XYLMN\n DATA CGRID_INDEX( 79 ), SPECIES_TYPE( 79 ), CONVERT_CONC( 79 ) / 81, 'GC', F / ! XLO2\n DATA CGRID_INDEX( 80 ), SPECIES_TYPE( 80 ), CONVERT_CONC( 80 ) / 82, 'GC', F / ! XYLRO2\n DATA CGRID_INDEX( 81 ), SPECIES_TYPE( 81 ), CONVERT_CONC( 81 ) / 83, 'GC', F / ! NAPH\n DATA CGRID_INDEX( 82 ), SPECIES_TYPE( 82 ), CONVERT_CONC( 82 ) / 84, 'GC', F / ! PAHRO2\n DATA CGRID_INDEX( 83 ), SPECIES_TYPE( 83 ), CONVERT_CONC( 83 ) / 85, 'GC', F / ! CRO\n DATA CGRID_INDEX( 84 ), SPECIES_TYPE( 84 ), CONVERT_CONC( 84 ) / 86, 'GC', F / ! CAT1\n DATA CGRID_INDEX( 85 ), SPECIES_TYPE( 85 ), CONVERT_CONC( 85 ) / 87, 'GC', F / ! CRON\n DATA CGRID_INDEX( 86 ), SPECIES_TYPE( 86 ), CONVERT_CONC( 86 ) / 88, 'GC', F / ! OPAN\n DATA CGRID_INDEX( 87 ), SPECIES_TYPE( 87 ), CONVERT_CONC( 87 ) / 89, 'GC', F / ! ECH4\n DATA CGRID_INDEX( 88 ), SPECIES_TYPE( 88 ), CONVERT_CONC( 88 ) / 90, 'GC', F / ! CL2\n DATA CGRID_INDEX( 89 ), SPECIES_TYPE( 89 ), CONVERT_CONC( 89 ) / 91, 'GC', F / ! CL\n DATA CGRID_INDEX( 90 ), SPECIES_TYPE( 90 ), CONVERT_CONC( 90 ) / 92, 'GC', F / ! HOCL\n DATA CGRID_INDEX( 91 ), SPECIES_TYPE( 91 ), CONVERT_CONC( 91 ) / 93, 'GC', F / ! CLO\n DATA CGRID_INDEX( 92 ), SPECIES_TYPE( 92 ), CONVERT_CONC( 92 ) / 94, 'GC', F / ! FMCL\n DATA CGRID_INDEX( 93 ), SPECIES_TYPE( 93 ), CONVERT_CONC( 93 ) / 95, 'GC', F / ! HCL\n DATA CGRID_INDEX( 94 ), SPECIES_TYPE( 94 ), CONVERT_CONC( 94 ) / 96, 'GC', F / ! CLNO2\n DATA CGRID_INDEX( 95 ), SPECIES_TYPE( 95 ), CONVERT_CONC( 95 ) / 97, 'GC', F / ! CLNO3\n DATA CGRID_INDEX( 96 ), SPECIES_TYPE( 96 ), CONVERT_CONC( 96 ) / 125, 'GC', F / ! SVAVB2\n DATA CGRID_INDEX( 97 ), SPECIES_TYPE( 97 ), CONVERT_CONC( 97 ) / 126, 'GC', F / ! SVAVB3\n DATA CGRID_INDEX( 98 ), SPECIES_TYPE( 98 ), CONVERT_CONC( 98 ) / 127, 'GC', F / ! SVAVB4\n DATA CGRID_INDEX( 99 ), SPECIES_TYPE( 99 ), CONVERT_CONC( 99 ) / 124, 'GC', F / ! SVAVB1\n DATA CGRID_INDEX( 100 ), SPECIES_TYPE( 100 ), CONVERT_CONC( 100 ) / 98, 'GC', F / ! SESQ\n DATA CGRID_INDEX( 101 ), SPECIES_TYPE( 101 ), CONVERT_CONC( 101 ) / 99, 'GC', F / ! SESQRXN\n DATA CGRID_INDEX( 102 ), SPECIES_TYPE( 102 ), CONVERT_CONC( 102 ) / 100, 'GC', F / ! SOAALK\n DATA CGRID_INDEX( 103 ), SPECIES_TYPE( 103 ), CONVERT_CONC( 103 ) / 101, 'GC', F / ! H2NO3PIJ\n DATA CGRID_INDEX( 104 ), SPECIES_TYPE( 104 ), CONVERT_CONC( 104 ) / 102, 'GC', F / ! H2NO3PK\n DATA CGRID_INDEX( 105 ), SPECIES_TYPE( 105 ), CONVERT_CONC( 105 ) / 142, 'AE', T / ! ACLI\n DATA CGRID_INDEX( 106 ), SPECIES_TYPE( 106 ), CONVERT_CONC( 106 ) / 143, 'AE', T / ! ACLJ\n DATA CGRID_INDEX( 107 ), SPECIES_TYPE( 107 ), CONVERT_CONC( 107 ) / 144, 'AE', T / ! ACLK\n DATA CGRID_INDEX( 108 ), SPECIES_TYPE( 108 ), CONVERT_CONC( 108 ) / 64, 'GC', F / ! IEPOXP\n DATA CGRID_INDEX( 109 ), SPECIES_TYPE( 109 ), CONVERT_CONC( 109 ) / 132, 'AE', T / ! ASO4J\n DATA CGRID_INDEX( 110 ), SPECIES_TYPE( 110 ), CONVERT_CONC( 110 ) / 177, 'AE', T / ! AISO3J\n DATA CGRID_INDEX( 111 ), SPECIES_TYPE( 111 ), CONVERT_CONC( 111 ) / 180, 'AE', T / ! AGLYJ\n DATA CGRID_INDEX( 112 ), SPECIES_TYPE( 112 ), CONVERT_CONC( 112 ) / 69, 'GC', F / ! MTNO3\n DATA CGRID_INDEX( 113 ), SPECIES_TYPE( 113 ), CONVERT_CONC( 113 ) / 181, 'AE', T / ! AMTNO3J\n DATA CGRID_INDEX( 114 ), SPECIES_TYPE( 114 ), CONVERT_CONC( 114 ) / 182, 'AE', T / ! AMTHYDJ\n DATA CGRID_INDEX( 115 ), SPECIES_TYPE( 115 ), CONVERT_CONC( 115 ) / 206, 'AE', T / ! AAVB2J\n DATA CGRID_INDEX( 116 ), SPECIES_TYPE( 116 ), CONVERT_CONC( 116 ) / 178, 'AE', T / ! AOLGAJ\n DATA CGRID_INDEX( 117 ), SPECIES_TYPE( 117 ), CONVERT_CONC( 117 ) / 207, 'AE', T / ! AAVB3J\n DATA CGRID_INDEX( 118 ), SPECIES_TYPE( 118 ), CONVERT_CONC( 118 ) / 208, 'AE', T / ! AAVB4J\n DATA CGRID_INDEX( 119 ), SPECIES_TYPE( 119 ), CONVERT_CONC( 119 ) / 145, 'AE', T / ! AISO1J\n DATA CGRID_INDEX( 120 ), SPECIES_TYPE( 120 ), CONVERT_CONC( 120 ) / 179, 'AE', T / ! AOLGBJ\n DATA CGRID_INDEX( 121 ), SPECIES_TYPE( 121 ), CONVERT_CONC( 121 ) / 146, 'AE', T / ! AISO2J\n DATA CGRID_INDEX( 122 ), SPECIES_TYPE( 122 ), CONVERT_CONC( 122 ) / 147, 'AE', T / ! ASQTJ\n DATA CGRID_INDEX( 123 ), SPECIES_TYPE( 123 ), CONVERT_CONC( 123 ) / 183, 'AE', T / ! APOCI\n DATA CGRID_INDEX( 124 ), SPECIES_TYPE( 124 ), CONVERT_CONC( 124 ) / 185, 'AE', T / ! APNCOMI\n DATA CGRID_INDEX( 125 ), SPECIES_TYPE( 125 ), CONVERT_CONC( 125 ) / 184, 'AE', T / ! APOCJ\n DATA CGRID_INDEX( 126 ), SPECIES_TYPE( 126 ), CONVERT_CONC( 126 ) / 186, 'AE', T / ! APNCOMJ\n DATA CGRID_INDEX( 127 ), SPECIES_TYPE( 127 ), CONVERT_CONC( 127 ) / 113, 'GC', F / ! PCVOC\n DATA CGRID_INDEX( 128 ), SPECIES_TYPE( 128 ), CONVERT_CONC( 128 ) / 114, 'GC', F / ! PCSOARXN\n DATA CGRID_INDEX( 129 ), SPECIES_TYPE( 129 ), CONVERT_CONC( 129 ) / 103, 'GC', F / ! VLVPO1\n DATA CGRID_INDEX( 130 ), SPECIES_TYPE( 130 ), CONVERT_CONC( 130 ) / 104, 'GC', F / ! VSVPO1\n DATA CGRID_INDEX( 131 ), SPECIES_TYPE( 131 ), CONVERT_CONC( 131 ) / 105, 'GC', F / ! VSVPO2\n DATA CGRID_INDEX( 132 ), SPECIES_TYPE( 132 ), CONVERT_CONC( 132 ) / 106, 'GC', F / ! VSVPO3\n DATA CGRID_INDEX( 133 ), SPECIES_TYPE( 133 ), CONVERT_CONC( 133 ) / 107, 'GC', F / ! VIVPO1\n DATA CGRID_INDEX( 134 ), SPECIES_TYPE( 134 ), CONVERT_CONC( 134 ) / 108, 'GC', F / ! VLVOO1\n DATA CGRID_INDEX( 135 ), SPECIES_TYPE( 135 ), CONVERT_CONC( 135 ) / 109, 'GC', F / ! VLVOO2\n DATA CGRID_INDEX( 136 ), SPECIES_TYPE( 136 ), CONVERT_CONC( 136 ) / 111, 'GC', F / ! VSVOO2\n DATA CGRID_INDEX( 137 ), SPECIES_TYPE( 137 ), CONVERT_CONC( 137 ) / 112, 'GC', F / ! VSVOO3\n DATA CGRID_INDEX( 138 ), SPECIES_TYPE( 138 ), CONVERT_CONC( 138 ) / 110, 'GC', F / ! VSVOO1\n DATA CGRID_INDEX( 139 ), SPECIES_TYPE( 139 ), CONVERT_CONC( 139 ) / 115, 'GC', F / ! FORM_PRIMARY\n DATA CGRID_INDEX( 140 ), SPECIES_TYPE( 140 ), CONVERT_CONC( 140 ) / 116, 'GC', F / ! ALD2_PRIMARY\n DATA CGRID_INDEX( 141 ), SPECIES_TYPE( 141 ), CONVERT_CONC( 141 ) / 117, 'GC', F / ! BUTADIENE13\n DATA CGRID_INDEX( 142 ), SPECIES_TYPE( 142 ), CONVERT_CONC( 142 ) / 118, 'GC', F / ! ACROLEIN\n DATA CGRID_INDEX( 143 ), SPECIES_TYPE( 143 ), CONVERT_CONC( 143 ) / 119, 'GC', F / ! ACRO_PRIMARY\n DATA CGRID_INDEX( 144 ), SPECIES_TYPE( 144 ), CONVERT_CONC( 144 ) / 120, 'GC', F / ! TOLU\n DATA CGRID_INDEX( 145 ), SPECIES_TYPE( 145 ), CONVERT_CONC( 145 ) / 121, 'GC', F / ! HG\n DATA CGRID_INDEX( 146 ), SPECIES_TYPE( 146 ), CONVERT_CONC( 146 ) / 122, 'GC', F / ! HGIIAER\n DATA CGRID_INDEX( 147 ), SPECIES_TYPE( 147 ), CONVERT_CONC( 147 ) / 123, 'GC', F / ! HGIIGAS\n DATA CGRID_INDEX( 148 ), SPECIES_TYPE( 148 ), CONVERT_CONC( 148 ) / 128, 'GC', F / ! DMS\n DATA CGRID_INDEX( 149 ), SPECIES_TYPE( 149 ), CONVERT_CONC( 149 ) / 129, 'GC', F / ! MSA\n\n! The below integers define the locations of mechanism species in the solver\n! concentration array.\n\n INTEGER :: INDEX_NO2 = 1\n INTEGER :: INDEX_NO = 2\n INTEGER :: INDEX_O = 3\n INTEGER :: INDEX_O3 = 4\n INTEGER :: INDEX_NO3 = 5\n INTEGER :: INDEX_O1D = 6\n INTEGER :: INDEX_OH = 7\n INTEGER :: INDEX_HO2 = 8\n INTEGER :: INDEX_H2O2 = 9\n INTEGER :: INDEX_N2O5 = 10\n INTEGER :: INDEX_HNO3 = 11\n INTEGER :: INDEX_HONO = 12\n INTEGER :: INDEX_PNA = 13\n INTEGER :: INDEX_SO2 = 14\n INTEGER :: INDEX_SULF = 15\n INTEGER :: INDEX_SULRXN = 16\n INTEGER :: INDEX_C2O3 = 17\n INTEGER :: INDEX_MEO2 = 18\n INTEGER :: INDEX_RO2 = 19\n INTEGER :: INDEX_PAN = 20\n INTEGER :: INDEX_PACD = 21\n INTEGER :: INDEX_AACD = 22\n INTEGER :: INDEX_CXO3 = 23\n INTEGER :: INDEX_ALD2 = 24\n INTEGER :: INDEX_XO2H = 25\n INTEGER :: INDEX_PANX = 26\n INTEGER :: INDEX_FORM = 27\n INTEGER :: INDEX_MEPX = 28\n INTEGER :: INDEX_MEOH = 29\n INTEGER :: INDEX_ROOH = 30\n INTEGER :: INDEX_XO2 = 31\n INTEGER :: INDEX_XO2N = 32\n INTEGER :: INDEX_NTR1 = 33\n INTEGER :: INDEX_NTR2 = 34\n INTEGER :: INDEX_FACD = 35\n INTEGER :: INDEX_CO = 36\n INTEGER :: INDEX_HCO3 = 37\n INTEGER :: INDEX_ALDX = 38\n INTEGER :: INDEX_GLYD = 39\n INTEGER :: INDEX_GLY = 40\n INTEGER :: INDEX_MGLY = 41\n INTEGER :: INDEX_ETHA = 42\n INTEGER :: INDEX_ETOH = 43\n INTEGER :: INDEX_KET = 44\n INTEGER :: INDEX_PAR = 45\n INTEGER :: INDEX_ACET = 46\n INTEGER :: INDEX_PRPA = 47\n INTEGER :: INDEX_XPRP = 48\n INTEGER :: INDEX_XPAR = 49\n INTEGER :: INDEX_ROR = 50\n INTEGER :: INDEX_ETHY = 51\n INTEGER :: INDEX_ETH = 52\n INTEGER :: INDEX_OLE = 53\n INTEGER :: INDEX_IOLE = 54\n INTEGER :: INDEX_ISOP = 55\n INTEGER :: INDEX_ISO2 = 56\n INTEGER :: INDEX_ISOPRXN = 57\n INTEGER :: INDEX_ISPD = 58\n INTEGER :: INDEX_INTR = 59\n INTEGER :: INDEX_ISPX = 60\n INTEGER :: INDEX_HPLD = 61\n INTEGER :: INDEX_OPO3 = 62\n INTEGER :: INDEX_EPOX = 63\n INTEGER :: INDEX_EPX2 = 64\n INTEGER :: INDEX_TERP = 65\n INTEGER :: INDEX_TRPRXN = 66\n INTEGER :: INDEX_TERPNRO2 = 67\n INTEGER :: INDEX_APIN = 68\n INTEGER :: INDEX_BENZENE = 69\n INTEGER :: INDEX_CRES = 70\n INTEGER :: INDEX_BZO2 = 71\n INTEGER :: INDEX_OPEN = 72\n INTEGER :: INDEX_BENZRO2 = 73\n INTEGER :: INDEX_TOL = 74\n INTEGER :: INDEX_TO2 = 75\n INTEGER :: INDEX_TOLRO2 = 76\n INTEGER :: INDEX_XOPN = 77\n INTEGER :: INDEX_XYLMN = 78\n INTEGER :: INDEX_XLO2 = 79\n INTEGER :: INDEX_XYLRO2 = 80\n INTEGER :: INDEX_NAPH = 81\n INTEGER :: INDEX_PAHRO2 = 82\n INTEGER :: INDEX_CRO = 83\n INTEGER :: INDEX_CAT1 = 84\n INTEGER :: INDEX_CRON = 85\n INTEGER :: INDEX_OPAN = 86\n INTEGER :: INDEX_ECH4 = 87\n INTEGER :: INDEX_CL2 = 88\n INTEGER :: INDEX_CL = 89\n INTEGER :: INDEX_HOCL = 90\n INTEGER :: INDEX_CLO = 91\n INTEGER :: INDEX_FMCL = 92\n INTEGER :: INDEX_HCL = 93\n INTEGER :: INDEX_CLNO2 = 94\n INTEGER :: INDEX_CLNO3 = 95\n INTEGER :: INDEX_SVAVB2 = 96\n INTEGER :: INDEX_SVAVB3 = 97\n INTEGER :: INDEX_SVAVB4 = 98\n INTEGER :: INDEX_SVAVB1 = 99\n INTEGER :: INDEX_SESQ = 100\n INTEGER :: INDEX_SESQRXN = 101\n INTEGER :: INDEX_SOAALK = 102\n INTEGER :: INDEX_H2NO3PIJ = 103\n INTEGER :: INDEX_H2NO3PK = 104\n INTEGER :: INDEX_ACLI = 105\n INTEGER :: INDEX_ACLJ = 106\n INTEGER :: INDEX_ACLK = 107\n INTEGER :: INDEX_IEPOXP = 108\n INTEGER :: INDEX_ASO4J = 109\n INTEGER :: INDEX_AISO3J = 110\n INTEGER :: INDEX_AGLYJ = 111\n INTEGER :: INDEX_MTNO3 = 112\n INTEGER :: INDEX_AMTNO3J = 113\n INTEGER :: INDEX_AMTHYDJ = 114\n INTEGER :: INDEX_AAVB2J = 115\n INTEGER :: INDEX_AOLGAJ = 116\n INTEGER :: INDEX_AAVB3J = 117\n INTEGER :: INDEX_AAVB4J = 118\n INTEGER :: INDEX_AISO1J = 119\n INTEGER :: INDEX_AOLGBJ = 120\n INTEGER :: INDEX_AISO2J = 121\n INTEGER :: INDEX_ASQTJ = 122\n INTEGER :: INDEX_APOCI = 123\n INTEGER :: INDEX_APNCOMI = 124\n INTEGER :: INDEX_APOCJ = 125\n INTEGER :: INDEX_APNCOMJ = 126\n INTEGER :: INDEX_PCVOC = 127\n INTEGER :: INDEX_PCSOARXN = 128\n INTEGER :: INDEX_VLVPO1 = 129\n INTEGER :: INDEX_VSVPO1 = 130\n INTEGER :: INDEX_VSVPO2 = 131\n INTEGER :: INDEX_VSVPO3 = 132\n INTEGER :: INDEX_VIVPO1 = 133\n INTEGER :: INDEX_VLVOO1 = 134\n INTEGER :: INDEX_VLVOO2 = 135\n INTEGER :: INDEX_VSVOO2 = 136\n INTEGER :: INDEX_VSVOO3 = 137\n INTEGER :: INDEX_VSVOO1 = 138\n INTEGER :: INDEX_FORM_PRIMARY = 139\n INTEGER :: INDEX_ALD2_PRIMARY = 140\n INTEGER :: INDEX_BUTADIENE13 = 141\n INTEGER :: INDEX_ACROLEIN = 142\n INTEGER :: INDEX_ACRO_PRIMARY = 143\n INTEGER :: INDEX_TOLU = 144\n INTEGER :: INDEX_HG = 145\n INTEGER :: INDEX_HGIIAER = 146\n INTEGER :: INDEX_HGIIGAS = 147\n INTEGER :: INDEX_DMS = 148\n INTEGER :: INDEX_MSA = 149\n\n INTEGER, PARAMETER :: N_ACT_SP = 149\n\n INTEGER, PARAMETER :: NRXNS = 349\n\n INTEGER, PARAMETER :: ONE_REACT_REACTIONS = 0\n\n INTEGER, PARAMETER :: TWO_REACT_REACTIONS = 0\n\n INTEGER, PARAMETER :: THREE_REACT_REACTIONS = 0\n\n INTEGER, PARAMETER :: ZERO_REACT_REACTIONS = 0\n\n LOGICAL, PARAMETER :: UNITARY_REACTIONS = .FALSE.\n\n INTEGER, PARAMETER :: ONE_REACT_START = 0\n\n INTEGER, PARAMETER :: ONE_REACT_STOP = -1\n\n LOGICAL, PARAMETER :: BINARY_REACTIONS = .FALSE.\n\n INTEGER, PARAMETER :: TWO_REACT_START = 0\n\n INTEGER, PARAMETER :: TWO_REACT_STOP = -1\n\n LOGICAL, PARAMETER :: TERNARY_REACTIONS = .FALSE.\n\n INTEGER, PARAMETER :: THREE_REACT_START = 0\n\n INTEGER, PARAMETER :: THREE_REACT_STOP = -1\n\n LOGICAL, PARAMETER :: NULL_REACTIONS = .FALSE.\n\n INTEGER, PARAMETER :: ZERO_REACT_START = 0\n\n INTEGER, PARAMETER :: ZERO_REACT_STOP = -1\n\n INTEGER, PARAMETER :: NSUNLIGHT_RXNS = 42\n\n INTEGER, PARAMETER :: NTHERMAL_RXNS = 307\n\n INTEGER, PARAMETER :: KUNITS = 2\n\n INTEGER :: IRXXN\n\n INTEGER, PARAMETER :: NMPHOT = 41\n INTEGER :: IPH( NMPHOT,3 )\n\n DATA ( IPH( IRXXN,1 ), IRXXN = 1, NMPHOT ) / & \n & 1, 8, 9, 21, 27, 28, 38, 43, 47, 50, & \n & 56, 64, 88, 90, 92, 97, 98, 108, 112, 114, & \n & 117, 119, 128, 129, 161, 163, 201, 202, 206, 226, & \n & 227, 234, 252, 254, 255, 291, 317, 318, 323, 332, & \n & 337/\n\n DATA ( IPH( IRXXN,2 ), IRXXN = 1, NMPHOT ) / & \n & 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, & \n & 11, 11, 12, 12, 13, 14, 15, 16, 17, 18, & \n & 19, 20, 21, 22, 23, 24, 13, 1, 1, 25, & \n & 26, 27, 28, 29, 30, 31, 14, 15, 16, 32, & \n & 32/\n\n DATA ( IPH( IRXXN,3 ), IRXXN = 1, NMPHOT ) / & \n & 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, & \n & 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, & \n & 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, & \n & 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, & \n & 41/\n\n REAL( 8 ) :: RTDAT( 3,NRXNS )\n\n INTEGER, PARAMETER :: NFALLOFF = 24\n REAL( 8 ) :: RFDAT( 5,NFALLOFF )\n\n INTEGER :: KTYPE( NRXNS )\n\n DATA ( KTYPE( IRXXN ), IRXXN = 1, NRXNS ) / & \n & 0, 2, 3, 10, 3, 10, 3, 0, 0, 3, & ! O \n & 1, 3, 4, 3, 3, 4, 10, 3, 9, 9, & ! 1 \n & 0, 1, 3, 3, 3, 3, 0, 0, 3, 3, & ! 2 \n & 1, 1, 1, 1, 3, 10, 10, 0, 1, 10, & ! 3 \n & 1, 1, 0, 3, 10, 8, 0, 10, 10, 0, & ! 4 \n & 3, 10, 3, 10, 10, 0, 3, 3, 3, 6, & ! 5 \n & 3, 6, 6, 0, 6, 6, 6, 3, 3, 3, & ! 6 \n & 3, 3, 3, 6, 3, 3, 6, 6, 6, 6, & ! 7 \n & 6, 6, 6, 6, 6, 6, 3, 0, 3, 0, & ! 8 \n & 1, 0, 1, 3, 3, 3, 0, 0, 3, 1, & ! 9 \n & 3, 3, 1, 3, 3, 3, 3, 0, 3, 3, & ! O \n & 1, 0, 1, 0, 6, 3, 0, 1, 0, 1, & ! 1 \n & 3, 3, 9, 3, 3, 3, 3, 0, 0, 3, & ! 2 \n & 3, 1, 3, 3, 3, 10, 3, 10, 3, 3, & ! 3 \n & 3, 10, 3, 3, 1, 3, 3, 1, 3, 1, & ! 4 \n & 3, 3, 6, 6, 3, 3, 3, 3, 3, 3, & ! 5 \n & 0, 3, 0, 3, 3, 3, 3, 6, 6, 1, & ! 6 \n & 1, 3, 3, 3, 1, 3, 3, 3, 3, 3, & ! 7 \n & 6, 3, 6, 3, 3, 6, 3, 6, 1, 1, & ! 8 \n & 3, 3, 6, 6, 3, 1, 1, 1, 1, 1, & ! 9 \n & 0, 0, 1, 3, 1, 0, 1, 3, 1, 1, & ! O \n & 1, 6, 6, 6, 6, 6, 6, 1, 1, 3, & ! 1 \n & 10, 1, 10, 1, 1, 0, 0, 3, 1, 3, & ! 2 \n & 3, 3, 1, 0, 3, 1, 1, 3, 1, 1, & ! 3 \n & 1, 1, 3, 1, 1, 1, 3, 4, 1, 1, & ! 4 \n & 1, 0, 10, 0, 0, -1, -1, 3, 3, 3, & ! 5 \n & 3, 3, 3, 1, 1, 1, 3, 3, 3, -1, & ! 6 \n & -1, -1, -1, -1, -1, -1, -1, -1, 12, -1, & ! 7 \n & -1, -1, -1, -1, 3, 3, 1, 1, 1, 1, & ! 8 \n & 0, 1, 1, 1, 1, 1, 1, 1, 1, -1, & ! 9 \n & 1, -1, 1, 1, 1, 1, 1, 1, 1, 1, & ! O \n & 1, 1, 1, 3, 1, 3, 0, 0, 3, 3, & ! 1 \n & 3, 3, 0, 1, 3, 3, 1, 1, 1, 1, & ! 2 \n & 1, 0, 1, 1, 1, 1, 0, 1, 3, 1, & ! 3 \n & 3, 1, 1, 1, 3, 3, 10, 3, 3/ !4 \n\n INTEGER :: IRXBITS( NRXNS )\n\n DATA ( IRXBITS( IRXXN ), IRXXN = 1, NRXNS ) / & \n & 2, 276, 0, 1, 0, 1, 0, 2, 2, 260, & ! O \n & 8, 0, 0, 0, 0, 0, 1, 0, 0, 8, & ! 1 \n & 2, 0, 0, 16, 0, 0, 2, 2, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 1, 1, 2, 8, 1, & ! 3 \n & 8, 0, 2, 0, 1, 0, 2, 1, 1, 2, & ! 4 \n & 0, 1, 0, 1, 1, 2, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 2, 0, 2, & ! 8 \n & 0, 2, 0, 0, 0, 0, 2, 2, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, & ! O \n & 0, 2, 0, 2, 0, 0, 2, 0, 2, 0, & ! 1 \n & 0, 128, 0, 64, 0, 0, 0, 2, 2, 0, & ! 2 \n & 0, 0, 0, 16, 0, 1, 0, 1, 0, 0, & ! 3 \n & 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 2, 0, 2, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 2, 2, 0, 0, 0, 2, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 1, 0, 1, 0, 8, 2, 2, 0, 0, 0, & ! 2 \n & 0, 0, 0, 2, 64, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 2, 1, 2, 2, 1, 1, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, & ! 6 \n & 1, 1, 1, 1, 1, 1, 1, 1, 2, 1, & ! 7 \n & 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, & ! 8 \n & 2, 0, 0, 0, 0, 0, 0, 0, 0, 1, & ! 9 \n & 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 2, 2, 0, 0, & ! 1 \n & 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 2, 0, 0, 0, 0, 2, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 260, 0, 1, 0, 0/ !4 \n\n INTEGER, PARAMETER :: NTERMS_JACOB = 22201\n\n INTEGER, PARAMETER :: NSTEPS_JACOB = 698\n\n INTEGER :: IORDER( NRXNS )\n\n DATA ( IORDER( IRXXN ), IRXXN = 1, NRXNS ) / & \n & 1, 3, 2, 2, 2, 2, 2, 1, 1, 2, & ! O \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 3, & ! 1 \n & 1, 2, 2, 3, 2, 2, 1, 1, 2, 2, & ! 2 \n & 2, 2, 2, 2, 2, 2, 1, 1, 2, 2, & ! 3 \n & 3, 2, 1, 2, 2, 2, 1, 2, 1, 1, & ! 4 \n & 2, 2, 2, 2, 1, 1, 2, 2, 2, 2, & ! 5 \n & 2, 2, 1, 1, 2, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 1, 2, 1, & ! 8 \n & 2, 1, 2, 2, 2, 2, 1, 1, 2, 2, & ! 9 \n & 2, 1, 2, 2, 2, 2, 2, 1, 2, 2, & ! O \n & 2, 1, 2, 1, 2, 2, 1, 2, 1, 2, & ! 1 \n & 2, 2, 2, 2, 2, 2, 2, 1, 1, 2, & ! 2 \n & 2, 2, 1, 2, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 1, 2, 2, 2, 2, 2, & ! 5 \n & 1, 2, 1, 2, 2, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 9 \n & 1, 1, 2, 2, 2, 1, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 1, 2, 2, 2, 2, 2, 2, & ! 1 \n & 1, 1, 1, 1, 3, 1, 1, 2, 2, 2, & ! 2 \n & 2, 2, 2, 1, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 1, 2, 1, 1, 1, 1, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 1, & ! 6 \n & 1, 1, 1, 1, 2, 2, 2, 1, 1, 1, & ! 7 \n & 2, 1, 1, 1, 2, 2, 2, 2, 2, 2, & ! 8 \n & 1, 1, 1, 1, 1, 1, 1, 1, 2, 2, & ! 9 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 2, 2, 1, 1, 2, 2, & ! 1 \n & 2, 2, 1, 2, 2, 2, 2, 2, 2, 2, & ! 2 \n & 2, 1, 2, 2, 2, 2, 1, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 3, 2, 2, 2, 2/ !4 \n\n INTEGER, PARAMETER :: KTN1 = 99\n INTEGER :: KRX1( KTN1 )\n\n DATA ( KRX1( IRXXN ), IRXXN = 1, KTN1 ) / & \n & 11, 22, 31, 32, 33, 34, 39, 41, 42, 91, & ! O \n & 93, 100, 103, 111, 113, 118, 120, 132, 145, 148, & ! 1 \n & 150, 170, 171, 175, 189, 190, 196, 197, 198, 199, & ! 2 \n & 200, 203, 205, 207, 209, 210, 211, 218, 219, 222, & ! 3 \n & 224, 225, 229, 233, 236, 237, 239, 240, 241, 242, & ! 4 \n & 244, 245, 246, 249, 250, 251, 264, 265, 266, 287, & ! 5 \n & 288, 289, 290, 292, 293, 294, 295, 296, 297, 298, & ! 6 \n & 299, 301, 303, 304, 305, 306, 307, 308, 309, 310, & ! 7 \n & 311, 312, 313, 315, 324, 327, 328, 329, 330, 331, & ! 8 \n & 333, 334, 335, 336, 338, 340, 342, 343, 344/ !9 \n\n INTEGER, PARAMETER :: KTN2 = 1\n INTEGER :: KRX2( KTN2 )\n\n DATA ( KRX2( IRXXN ), IRXXN = 1, KTN2 ) / & \n & 2/\n\n INTEGER, PARAMETER :: KTN3 = 129\n INTEGER :: KRX3( KTN3 )\n\n DATA ( KRX3( IRXXN ), IRXXN = 1, KTN3 ) / & \n & 3, 5, 7, 10, 12, 14, 15, 18, 23, 24, & ! O \n & 25, 26, 29, 30, 35, 44, 51, 53, 57, 58, & ! 1 \n & 59, 61, 68, 69, 70, 71, 72, 73, 75, 76, & ! 2 \n & 87, 89, 94, 95, 96, 99, 101, 102, 104, 105, & ! 3 \n & 106, 107, 109, 110, 116, 121, 122, 124, 125, 126, & ! 4 \n & 127, 130, 131, 133, 134, 135, 137, 139, 140, 141, & ! 5 \n & 143, 144, 146, 147, 149, 151, 152, 155, 156, 157, & ! 6 \n & 158, 159, 160, 162, 164, 165, 166, 167, 172, 173, & ! 7 \n & 174, 176, 177, 178, 179, 180, 182, 184, 185, 187, & ! 8 \n & 191, 192, 195, 204, 208, 220, 228, 230, 231, 232, & ! 9 \n & 235, 238, 243, 247, 258, 259, 260, 261, 262, 263, & ! O \n & 267, 268, 269, 285, 286, 314, 316, 319, 320, 321, & ! 1 \n & 322, 325, 326, 339, 341, 345, 346, 348, 349/ !2 \n\n INTEGER, PARAMETER :: KTN4 = 3\n INTEGER :: KRX4( KTN4 )\n\n DATA ( KRX4( IRXXN ), IRXXN = 1, KTN4 ) / & \n & 13, 16, 248/\n\n INTEGER, PARAMETER :: KTN5 = 0\n INTEGER :: KRX5( 1 )\n\n DATA KRX5( 1 ) / 0 /\n\n INTEGER, PARAMETER :: KTN6 = 34\n INTEGER :: KRX6( KTN6 )\n\n DATA ( KRX6( IRXXN ), IRXXN = 1, KTN6 ) / & \n & 60, 62, 63, 65, 66, 67, 74, 77, 78, 79, & \n & 80, 81, 82, 83, 84, 85, 86, 115, 153, 154, & \n & 168, 169, 181, 183, 186, 188, 193, 194, 212, 213, & \n & 214, 215, 216, 217/\n\n INTEGER, PARAMETER :: KTN7 = 0\n INTEGER :: KRX7( 1 )\n\n DATA KRX7( 1 ) / 0 /\n\n INTEGER, PARAMETER :: NWM = 3\n INTEGER :: NRXWM( NWM )\n\n DATA ( NRXWM( IRXXN ), IRXXN = 1, NWM ) / & \n & 2, 10, 345/\n REAL( 8 ), PARAMETER :: ATM_AIR = 1.00000D+06\n\n INTEGER, PARAMETER :: NWW = 5\n INTEGER :: NRXWW( NWW )\n\n DATA ( NRXWW( IRXXN ), IRXXN = 1, NWW ) / & \n & 11, 20, 39, 41, 225/\n\n INTEGER, PARAMETER :: NWO2 = 3\n INTEGER :: NRXWO2( NWO2 )\n\n DATA ( NRXWO2( IRXXN ), IRXXN = 1, NWO2 ) / & \n & 2, 24, 134/\n REAL( 8 ), PARAMETER :: ATM_O2 = 2.09500D+05\n\n INTEGER, PARAMETER :: NWN2 = 0\n INTEGER :: NRXWN2( 1 )\n\n DATA NRXWN2( 1 ) / 0 /\n REAL( 8 ), PARAMETER :: ATM_N2 = 7.80800D+05\n\n INTEGER, PARAMETER :: NWCH4 = 2\n INTEGER :: NRXWCH4( NWCH4 )\n\n DATA ( NRXWCH4( IRXXN ), IRXXN = 1, NWCH4 ) / & \n & 124, 235/\n REAL( 8 ), PARAMETER :: ATM_CH4 = 1.85000D+00\n\n INTEGER, PARAMETER :: NWH2 = 1\n INTEGER :: NRXWH2( NWH2 )\n\n DATA ( NRXWH2( IRXXN ), IRXXN = 1, NWH2 ) / & \n & 122/\n REAL( 8 ), PARAMETER :: ATM_H2 = 5.60000D-01\n\n INTEGER, PARAMETER :: MXPRD = 14\n INTEGER :: IRR( NRXNS,MXPRD+3 )\n\n DATA ( IRR( IRXXN, 1 ), IRXXN = 1, NRXNS ) / & \n & 1, 3, 4, 3, 3, 3, 3, 4, 4, 6, & ! O \n & 6, 4, 4, 7, 8, 7, 7, 7, 8, 8, & ! 1 \n & 9, 9, 9, 2, 8, 1, 5, 5, 5, 5, & ! 2 \n & 5, 5, 5, 5, 5, 5, 10, 10, 10, 2, & ! 3 \n & 2, 12, 12, 12, 1, 11, 11, 8, 13, 13, & ! 4 \n & 13, 14, 17, 17, 20, 20, 17, 17, 17, 17, & ! 5 \n & 23, 23, 26, 26, 23, 23, 23, 19, 19, 19, & ! 6 \n & 18, 18, 18, 18, 25, 25, 25, 25, 31, 31, & ! 7 \n & 31, 31, 32, 32, 32, 32, 28, 28, 30, 30, & ! 8 \n & 33, 33, 35, 22, 21, 27, 27, 27, 27, 27, & ! 9 \n & 27, 37, 37, 37, 24, 24, 24, 24, 38, 38, & ! O \n & 38, 38, 39, 39, 39, 40, 40, 40, 41, 41, & ! 1 \n & 41, 7, 36, 7, 42, 29, 43, 44, 46, 46, & ! 2 \n & 47, 45, 50, 50, 50, 51, 52, 52, 52, 52, & ! 3 \n & 53, 53, 53, 53, 54, 54, 54, 54, 55, 55, & ! 4 \n & 56, 56, 56, 56, 56, 55, 55, 58, 58, 58, & ! 5 \n & 58, 60, 61, 61, 63, 64, 64, 64, 64, 59, & ! 6 \n & 65, 65, 65, 65, 68, 68, 68, 68, 69, 71, & ! 7 \n & 71, 71, 71, 74, 75, 75, 75, 75, 78, 81, & ! 8 \n & 79, 79, 79, 79, 70, 70, 83, 83, 85, 85, & ! 9 \n & 85, 77, 77, 77, 77, 72, 72, 72, 72, 84, & ! O \n & 84, 62, 62, 86, 62, 62, 62, 86, 26, 87, & ! 1 \n & 48, 48, 49, 49, 1, 88, 90, 89, 91, 91, & ! 2 \n & 91, 91, 7, 92, 89, 89, 89, 89, 89, 89, & ! 3 \n & 89, 89, 89, 89, 89, 89, 89, 93, 89, 89, & ! 4 \n & 89, 94, 91, 95, 95, 95, 95, 76, 76, 80, & ! 5 \n & 80, 73, 73, 100, 100, 100, 82, 82, 102, 34, & ! 6 \n & 10, 10, 103, 104, 103, 103, 104, 1, 4, 63, & ! 7 \n & 108, 108, 40, 41, 67, 67, 67, 67, 112, 112, & ! 8 \n & 112, 113, 115, 117, 118, 119, 121, 122, 123, 124, & ! 9 \n & 125, 126, 127, 129, 130, 131, 132, 133, 134, 135, & ! O \n & 138, 136, 137, 139, 139, 139, 139, 139, 139, 140, & ! 1 \n & 140, 140, 140, 140, 141, 141, 141, 141, 143, 143, & ! 2 \n & 143, 143, 143, 142, 142, 142, 142, 142, 144, 144, & ! 3 \n & 145, 145, 145, 145, 145, 148, 148, 148, 148/ !4 \n\n DATA ( IRR( IRXXN, 2 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 2, 2, 1, 1, 4, 0, 0, 0, & ! O \n & 0, 7, 8, 3, 3, 7, 7, 8, 8, 8, & ! 1 \n & 0, 7, 3, 2, 2, 4, 0, 0, 2, 1, & ! 2 \n & 3, 7, 8, 4, 5, 1, 0, 0, 0, 7, & ! 3 \n & 1, 12, 0, 7, 7, 7, 0, 1, 0, 0, & ! 4 \n & 7, 7, 2, 1, 0, 0, 8, 19, 17, 23, & ! 5 \n & 2, 1, 0, 0, 8, 19, 23, 2, 8, 19, & ! 6 \n & 2, 8, 17, 19, 2, 8, 17, 19, 2, 8, & ! 7 \n & 17, 19, 2, 8, 17, 19, 7, 0, 7, 0, & ! 8 \n & 7, 0, 7, 7, 7, 7, 0, 0, 3, 5, & ! 9 \n & 8, 0, 2, 8, 3, 7, 5, 0, 3, 7, & ! O \n & 5, 0, 7, 0, 5, 7, 0, 5, 0, 5, & ! 1 \n & 7, 0, 7, 0, 7, 7, 7, 0, 0, 7, & ! 2 \n & 7, 7, 0, 0, 1, 7, 3, 7, 4, 5, & ! 3 \n & 3, 7, 4, 5, 3, 7, 4, 5, 7, 3, & ! 4 \n & 2, 8, 17, 19, 0, 4, 5, 7, 4, 5, & ! 5 \n & 0, 7, 0, 5, 7, 8, 2, 17, 19, 7, & ! 6 \n & 3, 7, 4, 5, 3, 7, 4, 5, 7, 2, & ! 7 \n & 17, 8, 19, 7, 2, 17, 8, 19, 7, 7, & ! 8 \n & 2, 8, 17, 19, 7, 5, 1, 8, 7, 5, & ! 9 \n & 0, 0, 7, 4, 5, 0, 7, 4, 5, 7, & ! O \n & 5, 2, 1, 0, 8, 17, 19, 7, 7, 7, & ! 1 \n & 0, 0, 0, 0, 7, 0, 0, 4, 91, 2, & ! 2 \n & 8, 18, 92, 0, 0, 45, 47, 42, 52, 53, & ! 3 \n & 54, 55, 27, 24, 38, 29, 43, 7, 74, 78, & ! 4 \n & 81, 0, 1, 0, 0, 0, 0, 2, 8, 2, & ! 5 \n & 8, 2, 8, 4, 7, 5, 2, 8, 7, 0, & ! 6 \n & 0, 0, 0, 0, 105, 106, 107, 0, 0, 0, & ! 7 \n & 109, 0, 0, 0, 2, 8, 5, 19, 89, 7, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 7, 7, & ! 9 \n & 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, & ! O \n & 7, 7, 7, 7, 5, 3, 0, 0, 89, 7, & ! 1 \n & 5, 3, 0, 89, 7, 4, 5, 89, 7, 4, & ! 2 \n & 5, 0, 89, 7, 4, 5, 0, 89, 7, 89, & ! 3 \n & 4, 88, 9, 7, 89, 7, 7, 5, 89/ !4 \n\n DATA ( IRR( IRXXN, 3 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0/ !4 \n\n DATA ( IRR( IRXXN, 4 ), IRXXN = 1, NRXNS ) / & \n & 2, 4, 1, 1, 2, 5, 0, 3, 6, 3, & ! O \n & 7, 8, 7, 8, 7, 3, 9, 0, 9, 9, & ! 1 \n & 7, 8, 7, 1, 7, 5, 1, 2, 1, 2, & ! 2 \n & 1, 8, 7, 1, 1, 10, 5, 1, 11, 12, & ! 3 \n & 12, 2, 2, 1, 11, 5, 7, 13, 8, 8, & ! 4 \n & 1, 15, 1, 20, 1, 1, 21, 18, 18, 18, & ! 5 \n & 1, 26, 1, 1, 21, 18, 18, 2, 8, 0, & ! 6 \n & 27, 28, 27, 27, 1, 30, 8, 8, 1, 30, & ! 7 \n & 18, 19, 33, 30, 8, 19, 18, 18, 25, 8, & ! 8 \n & 34, 1, 8, 18, 17, 8, 8, 36, 7, 11, & ! 9 \n & 37, 27, 35, 28, 17, 17, 17, 18, 23, 23, & ! O \n & 23, 24, 40, 27, 11, 36, 8, 11, 17, 11, & ! 1 \n & 17, 8, 8, 18, 24, 27, 24, 24, 36, 27, & ! 2 \n & 48, 49, 44, 44, 33, 40, 27, 25, 27, 1, & ! 3 \n & 24, 27, 24, 1, 24, 24, 24, 1, 56, 58, & ! 4 \n & 59, 60, 27, 27, 8, 27, 1, 32, 24, 11, & ! 5 \n & 8, 63, 7, 11, 64, 39, 39, 39, 39, 31, & ! 6 \n & 38, 25, 7, 1, 38, 25, 7, 1, 70, 1, & ! 7 \n & 40, 0, 40, 70, 1, 40, 0, 40, 70, 70, & ! 8 \n & 1, 0, 40, 40, 40, 83, 85, 70, 34, 34, & ! 9 \n & 12, 40, 41, 41, 1, 62, 62, 40, 62, 27, & ! O \n & 83, 1, 86, 62, 21, 18, 25, 1, 24, 18, & ! 1 \n & 32, 46, 32, 38, 11, 89, 7, 91, 88, 89, & ! 2 \n & 90, 89, 89, 89, 93, 93, 93, 93, 92, 92, & ! 3 \n & 93, 92, 93, 93, 93, 93, 93, 89, 93, 93, & ! 4 \n & 93, 89, 95, 91, 89, 90, 90, 2, 8, 2, & ! 5 \n & 8, 2, 8, 4, 7, 5, 2, 8, 7, 11, & ! 6 \n & 11, 11, 11, 11, 94, 94, 94, 12, 0, 108, & ! 7 \n & 110, 110, 111, 111, 2, 8, 5, 19, 89, 7, & ! 8 \n & 0, 114, 116, 116, 116, 120, 120, 120, 124, 7, & ! 9 \n & 126, 7, 7, 7, 7, 7, 7, 7, 7, 7, & ! O \n & 7, 7, 7, 7, 5, 3, 0, 0, 89, 7, & ! 1 \n & 5, 3, 0, 89, 7, 4, 5, 89, 7, 4, & ! 2 \n & 5, 0, 89, 7, 4, 5, 0, 89, 7, 89, & ! 3 \n & 146, 147, 147, 146, 145, 14, 14, 14, 14/ !4 \n\n DATA ( IRR( IRXXN, 5 ), IRXXN = 1, NRXNS ) / & \n & 3, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 8, 0, 1, 0, 3, 0, 0, 1, & ! 2 \n & 0, 1, 1, 0, 0, 0, 1, 5, 0, 0, & ! 3 \n & 0, 1, 7, 0, 0, 0, 1, 0, 1, 1, & ! 4 \n & 0, 8, 18, 0, 17, 17, 22, 0, 19, 24, & ! 5 \n & 24, 0, 23, 23, 22, 0, 19, 0, 0, 0, & ! 6 \n & 8, 27, 8, 29, 8, 0, 18, 19, 0, 0, & ! 7 \n & 22, 0, 34, 0, 18, 0, 19, 19, 32, 7, & ! 8 \n & 0, 0, 0, 19, 0, 36, 36, 0, 8, 8, & ! 9 \n & 0, 8, 1, 35, 7, 0, 11, 19, 7, 0, & ! O \n & 11, 25, 8, 36, 17, 31, 36, 36, 8, 17, & ! 1 \n & 36, 0, 0, 19, 25, 8, 8, 17, 18, 17, & ! 2 \n & 0, 0, 46, 8, 0, 7, 8, 19, 36, 33, & ! 3 \n & 38, 24, 27, 33, 38, 38, 38, 33, 19, 27, & ! 4 \n & 1, 7, 58, 58, 61, 58, 34, 31, 27, 34, & ! 5 \n & 25, 7, 58, 58, 19, 40, 40, 40, 40, 25, & ! 6 \n & 45, 31, 25, 25, 45, 31, 25, 25, 71, 34, & ! 7 \n & 72, 0, 72, 75, 34, 41, 0, 41, 79, 79, & ! 8 \n & 34, 0, 41, 41, 72, 11, 0, 0, 83, 83, & ! 9 \n & 8, 25, 40, 7, 34, 8, 25, 41, 11, 8, & ! O \n & 11, 40, 0, 1, 22, 31, 38, 40, 1, 19, & ! 1 \n & 19, 38, 19, 50, 0, 0, 89, 0, 89, 1, & ! 2 \n & 0, 27, 36, 36, 18, 49, 46, 24, 31, 24, & ! 3 \n & 92, 58, 8, 17, 23, 8, 8, 0, 70, 70, & ! 4 \n & 70, 1, 0, 1, 5, 11, 11, 96, 99, 96, & ! 5 \n & 99, 96, 99, 101, 101, 101, 96, 99, 96, 0, & ! 6 \n & 103, 104, 0, 0, 0, 0, 0, 11, 0, 0, & ! 7 \n & 0, 0, 0, 0, 112, 112, 112, 112, 112, 112, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 123, 0, & ! 9 \n & 125, 0, 128, 129, 129, 129, 129, 129, 134, 134, & ! O \n & 134, 134, 134, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 142, 142, 142, 142, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 147, 88, 9, 147, 147, 18, 149, 11, 18/ !4 \n\n DATA ( IRR( IRXXN, 6 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 7, & ! 4 \n & 0, 16, 19, 0, 0, 5, 4, 0, 0, 25, & ! 5 \n & 25, 0, 0, 5, 4, 0, 0, 0, 0, 0, & ! 6 \n & 1, 0, 18, 8, 0, 0, 22, 0, 0, 0, & ! 7 \n & 19, 0, 0, 0, 22, 0, 27, 7, 19, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 36, 36, & ! 9 \n & 0, 0, 8, 7, 0, 0, 0, 36, 0, 0, & ! O \n & 0, 19, 17, 8, 0, 19, 0, 31, 36, 31, & ! 1 \n & 0, 0, 0, 0, 32, 0, 25, 25, 19, 31, & ! 2 \n & 0, 0, 24, 0, 0, 35, 36, 27, 8, 25, & ! 3 \n & 8, 38, 38, 31, 25, 25, 27, 31, 57, 31, & ! 4 \n & 27, 8, 8, 8, 0, 38, 25, 41, 41, 1, & ! 5 \n & 31, 56, 0, 0, 0, 41, 41, 41, 41, 19, & ! 6 \n & 66, 32, 31, 31, 66, 32, 31, 31, 19, 40, & ! 7 \n & 8, 0, 8, 19, 40, 72, 0, 72, 19, 19, & ! 8 \n & 40, 0, 72, 72, 8, 31, 0, 0, 0, 11, & ! 9 \n & 27, 8, 25, 17, 25, 36, 19, 7, 0, 83, & ! O \n & 0, 36, 0, 0, 4, 38, 19, 36, 0, 0, & ! 1 \n & 0, 45, 0, 25, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 8, 0, 8, 19, 0, 25, 25, 8, 38, & ! 3 \n & 24, 25, 36, 0, 0, 27, 24, 0, 75, 79, & ! 4 \n & 79, 0, 0, 0, 0, 0, 0, 97, 0, 97, & ! 5 \n & 0, 98, 0, 0, 0, 0, 97, 0, 97, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 7, 0, & ! 9 \n & 7, 0, 0, 130, 130, 130, 130, 130, 135, 135, & ! O \n & 135, 135, 135, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 4, 0, 0, 7, 89, 27, 18, 18, 27/ !4 \n\n DATA ( IRR( IRXXN, 7 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 5, & ! 4 \n & 0, 0, 0, 0, 0, 18, 18, 0, 0, 19, & ! 5 \n & 19, 0, 0, 24, 7, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 22, 19, 0, 0, 19, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 19, 0, 7, 0, 7, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 8, 0, 0, 0, 8, 0, 0, & ! O \n & 0, 36, 0, 29, 0, 8, 0, 19, 0, 19, & ! 1 \n & 0, 0, 0, 0, 19, 0, 19, 23, 17, 19, & ! 2 \n & 0, 0, 38, 0, 0, 36, 25, 39, 7, 31, & ! 3 \n & 25, 25, 25, 25, 19, 19, 36, 25, 0, 19, & ! 4 \n & 58, 27, 25, 25, 0, 23, 31, 18, 40, 31, & ! 5 \n & 18, 19, 0, 0, 0, 7, 7, 7, 7, 1, & ! 6 \n & 0, 19, 32, 32, 0, 19, 32, 32, 72, 72, & ! 7 \n & 18, 0, 19, 72, 41, 77, 0, 77, 77, 77, & ! 8 \n & 41, 0, 77, 77, 83, 25, 0, 0, 0, 0, & ! 9 \n & 72, 36, 19, 24, 31, 0, 40, 17, 0, 0, & ! O \n & 0, 8, 0, 0, 7, 19, 22, 34, 0, 0, & ! 1 \n & 0, 25, 0, 31, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 32, 32, 27, 31, & ! 3 \n & 38, 32, 0, 0, 0, 0, 0, 0, 19, 19, & ! 4 \n & 19, 0, 0, 0, 0, 0, 0, 98, 0, 98, & ! 5 \n & 0, 0, 0, 0, 0, 0, 98, 0, 98, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 131, 131, 131, 131, 131, 138, 138, & ! O \n & 138, 138, 138, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 27, 93/ !4 \n\n DATA ( IRR( IRXXN, 8 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 19, 19, 0, 0, 0, & ! 5 \n & 0, 0, 0, 25, 18, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 19, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 8, 0, 7, 0, 0, 0, 8, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 27, 18, 0, 0, & ! 2 \n & 0, 0, 32, 0, 0, 8, 19, 0, 35, 19, & ! 3 \n & 36, 31, 19, 32, 36, 0, 7, 32, 0, 8, & ! 4 \n & 8, 58, 18, 19, 0, 45, 32, 39, 46, 25, & ! 5 \n & 17, 54, 0, 0, 0, 8, 8, 8, 8, 5, & ! 6 \n & 0, 27, 19, 19, 0, 27, 19, 19, 7, 8, & ! 7 \n & 19, 0, 0, 7, 72, 8, 0, 8, 7, 7, & ! 8 \n & 72, 0, 8, 8, 84, 40, 0, 0, 0, 0, & ! 9 \n & 0, 17, 0, 36, 32, 0, 0, 27, 0, 0, & ! O \n & 0, 23, 0, 0, 18, 0, 0, 0, 0, 0, & ! 1 \n & 0, 19, 0, 19, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 19, 19, 0, 8, & ! 3 \n & 53, 19, 0, 0, 0, 0, 0, 0, 72, 77, & ! 4 \n & 77, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 132, 132, 132, 132, 134, 136, 136, & ! O \n & 136, 136, 136, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 149/ !4 \n\n DATA ( IRR( IRXXN, 9 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 7, 0, 0, 0, & ! 5 \n & 0, 0, 0, 19, 19, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 40, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 39, 19, 0, 0, & ! 2 \n & 0, 0, 25, 0, 0, 0, 7, 0, 0, 27, & ! 3 \n & 27, 32, 7, 19, 45, 0, 25, 19, 0, 23, & ! 4 \n & 25, 0, 22, 0, 0, 7, 19, 17, 36, 39, & ! 5 \n & 27, 38, 0, 0, 0, 27, 27, 27, 27, 59, & ! 6 \n & 0, 45, 27, 38, 0, 45, 27, 38, 8, 0, & ! 7 \n & 0, 0, 0, 25, 77, 18, 0, 19, 25, 25, & ! 8 \n & 77, 0, 18, 19, 32, 41, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 25, 19, 0, 0, 24, 0, 0, & ! O \n & 0, 0, 0, 0, 19, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 45, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 45, & ! 3 \n & 45, 0, 0, 0, 0, 0, 0, 0, 7, 7, & ! 4 \n & 7, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 133, 134, 134, 134, 135, 137, 137, & ! O \n & 137, 137, 137, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 91/ !4 \n\n DATA ( IRR( IRXXN, 10 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 25, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 45, 0, 0, & ! 2 \n & 0, 0, 19, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 32, 19, 8, 27, 0, 0, 19, 24, 0, 45, & ! 4 \n & 19, 0, 19, 0, 0, 31, 27, 62, 7, 41, & ! 5 \n & 53, 0, 0, 0, 0, 35, 1, 36, 36, 27, & ! 6 \n & 0, 38, 36, 34, 0, 38, 36, 34, 73, 0, & ! 7 \n & 0, 0, 0, 8, 8, 19, 0, 0, 8, 8, & ! 8 \n & 8, 0, 19, 0, 19, 62, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 19, 72, 0, 0, 36, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 31, 0, 0, 0, 0, 0, 0, 0, 25, 25, & ! 4 \n & 25, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 134, 135, 135, 135, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0/ !4 \n\n DATA ( IRR( IRXXN, 11 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 19, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 50, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 19, 45, 36, 24, 0, 0, 40, 38, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 19, 58, 45, 35, 45, & ! 5 \n & 45, 0, 0, 0, 0, 36, 36, 45, 45, 39, & ! 6 \n & 0, 66, 45, 67, 0, 66, 45, 0, 0, 0, & ! 7 \n & 0, 0, 0, 76, 0, 0, 0, 0, 80, 82, & ! 8 \n & 0, 0, 0, 0, 0, 32, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 41, 0, 0, 8, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 8, 0, 0, 0, 0, 0, 0, 0, 8, 8, & ! 4 \n & 8, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 135, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0/ !4 \n\n DATA ( IRR( IRXXN, 12 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 45, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 45, 0, 40, 38, 0, 0, 41, 45, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 8, 57, 46, 8, 23, & ! 5 \n & 46, 0, 0, 0, 0, 45, 45, 18, 19, 35, & ! 6 \n & 0, 0, 38, 0, 0, 0, 38, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 19, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 76, 80, & ! 4 \n & 82, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 136, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0/ !4 \n\n DATA ( IRR( IRXXN, 13 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 7, 0, 41, 45, 0, 0, 45, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 36, 0, 36, 17, 19, & ! 5 \n & 39, 0, 0, 0, 0, 0, 0, 22, 0, 45, & ! 6 \n & 0, 0, 23, 0, 0, 0, 23, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 137, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0/ !4 \n\n DATA ( IRR( IRXXN, 14 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 35, 0, 0, 0, 22, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 8, 0, 0, & ! 5 \n & 19, 0, 0, 0, 0, 0, 0, 19, 0, 53, & ! 6 \n & 0, 0, 66, 0, 0, 0, 66, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0/ !4 \n\n DATA ( IRR( IRXXN, 15 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 22, 0, 0, 0, 9, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 19, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 38, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0/ !4 \n\n DATA ( IRR( IRXXN, 16 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 9, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 34, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0/ !4 \n\n DATA ( IRR( IRXXN, 17 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 45, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0/ !4 \n\n DATA ( RTDAT( 1,IRXXN ), IRXXN = 1, NRXNS ) / & \n & 1.0000D+00, 6.0000D-34, 2.0700D-12, 1.0000D-31, 5.1000D-12, & ! O \n & 1.3000D-31, 8.0000D-12, 1.0000D+00, 1.0000D+00, 2.2300D-11, & ! + \n & 2.1400D-10, 1.7000D-12, 2.0300D-16, 2.4000D-11, 3.0000D-11, & ! 1 \n & 6.2000D-14, 9.0000D-31, 4.8000D-11, 2.2000D-13, 3.0800D-34, & ! + \n & 1.0000D+00, 1.8000D-12, 1.4000D-12, 4.2500D-39, 3.4500D-12, & ! 2 \n & 1.4000D-13, 1.0000D+00, 1.0000D+00, 1.8000D-11, 4.5000D-14, & ! + \n & 1.7000D-11, 2.0000D-11, 4.0000D-12, 1.0000D-17, 8.5000D-13, & ! 3 \n & 3.6000D-30, 1.3000D-03, 1.0000D+00, 1.0000D-22, 7.4000D-31, & ! + \n & 5.0000D-40, 1.0000D-20, 1.0000D+00, 2.5000D-12, 1.8000D-30, & ! 4 \n & 2.4000D-14, 1.0000D+00, 1.4000D-31, 4.1000D-05, 1.0000D+00, & ! + \n & 3.2000D-13, 2.8000D-31, 7.5000D-12, 3.6100D-28, 1.1000D-05, & ! 5 \n & 1.0000D+00, 3.1400D-12, 4.4000D-13, 2.9000D-12, 1.0000D+00, & ! + \n & 6.7000D-12, 8.4000D-01, 8.4000D-01, 1.0000D+00, 1.0000D+00, & ! 6 \n & 1.0000D+00, 1.0000D+00, 2.4000D-12, 4.8000D-13, 6.5000D-14, & ! + \n & 2.3000D-12, 3.8000D-13, 2.0000D-12, 1.0000D+00, 2.7000D-12, & ! 7 \n & 6.8000D-13, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 8 \n & 1.0000D+00, 5.3000D-12, 1.0000D+00, 5.3000D-12, 1.0000D+00, & ! + \n & 2.0000D-12, 1.0000D+00, 4.5000D-13, 4.0000D-14, 5.3000D-12, & ! 9 \n & 5.4000D-12, 1.0000D+00, 1.0000D+00, 3.4000D-11, 5.5000D-16, & ! + \n & 9.7000D-15, 2.4000D+12, 5.6000D-12, 5.6000D-15, 1.8000D-11, & ! O \n & 4.7000D-12, 1.4000D-12, 1.0000D+00, 1.3000D-11, 4.9000D-12, & ! + \n & 6.3000D-15, 1.0000D+00, 8.0000D-12, 1.0000D+00, 1.0000D+00, & ! 1 \n & 3.1000D-12, 1.0000D+00, 4.0000D-16, 1.0000D+00, 5.0000D-16, & ! + \n & 1.9000D-12, 7.7000D-12, 1.4400D-13, 1.8500D-12, 6.9000D-12, & ! 2 \n & 2.8500D-12, 3.0000D-12, 1.0000D+00, 1.0000D+00, 1.4100D-12, & ! + \n & 7.6000D-12, 8.1000D-13, 5.7000D+12, 1.5000D-14, 8.6000D-12, & ! 3 \n & 5.0000D-30, 1.0400D-11, 8.6000D-29, 6.8200D-15, 3.3000D-12, & ! + \n & 1.0000D-11, 8.0000D-27, 5.5000D-15, 4.6000D-13, 2.3000D-11, & ! 4 \n & 1.0500D-11, 4.7000D-15, 3.7000D-13, 2.7000D-11, 3.0000D-11, & ! + \n & 2.3900D-12, 7.4300D-13, 1.0000D+00, 1.0000D+00, 3.3000D+09, & ! 5 \n & 1.0300D-14, 3.0300D-12, 5.5800D-12, 3.8800D-15, 4.1000D-12, & ! + \n & 1.0000D+00, 2.2300D-11, 1.0000D+00, 6.0000D-12, 5.7800D-11, & ! 6 \n & 7.4300D-13, 2.3900D-12, 1.0000D+00, 1.0000D+00, 3.1000D-11, & ! + \n & 3.6000D-11, 1.5000D-11, 1.2000D-15, 3.7000D-12, 3.6000D-11, & ! 7 \n & 1.5000D-11, 1.2000D-15, 3.7000D-12, 2.3000D-12, 2.7000D-12, & ! + \n & 1.0000D+00, 1.9000D-13, 1.0000D+00, 1.8000D-12, 2.7000D-12, & ! 8 \n & 1.0000D+00, 1.9000D-13, 1.0000D+00, 1.8500D-11, 1.8500D-11, & ! + \n & 2.7000D-12, 1.9000D-13, 1.0000D+00, 1.0000D+00, 1.7000D-12, & ! 9 \n & 1.4000D-11, 2.1000D-12, 5.5000D-12, 1.5300D-12, 3.8000D-12, & ! + \n & 1.0000D+00, 5.0000D-02, 9.0000D-11, 1.0800D-16, 3.0000D-12, & ! O \n & 2.8000D-02, 4.4000D-11, 5.4000D-17, 3.8000D-12, 5.0000D-11, & ! + \n & 1.7000D-10, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 1 \n & 1.0000D+00, 1.0000D+00, 3.6000D-11, 3.0000D-12, 1.8500D-12, & ! + \n & 2.3700D-21, 1.0000D+00, 4.8100D-20, 1.0000D+00, 1.1000D-30, & ! 2 \n & 1.0000D+00, 1.0000D+00, 2.3000D-11, 1.6300D-14, 6.4000D-12, & ! + \n & 2.2000D-12, 3.2000D-12, 5.0000D-13, 1.0000D+00, 6.6000D-12, & ! 3 \n & 5.0000D-11, 1.4000D-10, 8.3000D-11, 1.0700D-10, 2.5000D-10, & ! + \n & 3.5000D-10, 4.3000D-10, 8.2000D-11, 7.9000D-11, 1.3000D-10, & ! 4 \n & 5.5000D-11, 8.2000D-11, 6.5800D-13, 6.1000D-11, 1.2000D-10, & ! + \n & 1.2000D-10, 1.0000D+00, 1.8000D-31, 1.0000D+00, 1.0000D+00, & ! 5 \n & 1.0000D+00, 1.0000D+00, 2.7000D-12, 1.9000D-13, 2.7000D-12, & ! + \n & 1.9000D-13, 2.7000D-12, 1.9000D-13, 1.1600D-14, 1.9700D-10, & ! 6 \n & 1.9000D-11, 2.7000D-12, 1.9000D-13, 2.7000D-12, 1.4000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 7 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 6.7006D-11, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 2.6000D-12, & ! 8 \n & 2.6500D-13, 2.3000D-12, 3.5000D-14, 1.9200D-10, 7.2000D-12, & ! + \n & 1.0000D+00, 9.2590D-05, 9.4882D-06, 9.4882D-06, 9.4882D-06, & ! 9 \n & 9.4882D-06, 9.4882D-06, 9.4882D-06, 2.5000D-12, 1.0000D+00, & ! + \n & 2.5000D-12, 1.0000D+00, 1.2500D-11, 4.0000D-11, 4.0000D-11, & ! O \n & 4.0000D-11, 4.0000D-11, 4.0000D-11, 4.0000D-11, 4.0000D-11, & ! + \n & 4.0000D-11, 4.0000D-11, 4.0000D-11, 5.4000D-12, 5.5000D-16, & ! 1 \n & 3.4000D-11, 1.0000D+00, 1.0000D+00, 8.2000D-11, 4.7000D-12, & ! + \n & 1.4000D-12, 1.8000D-11, 1.0000D+00, 7.9000D-11, 1.4800D-11, & ! 2 \n & 1.3400D-14, 1.7900D-13, 2.5100D-10, 2.0000D-11, 2.6100D-19, & ! + \n & 1.1500D-15, 1.0000D+00, 2.3700D-10, 2.0000D-11, 2.6100D-19, & ! 3 \n & 1.1500D-15, 1.0000D+00, 2.3700D-10, 1.8000D-12, 6.1000D-11, & ! + \n & 2.1100D-18, 2.6000D-18, 8.5000D-19, 7.7000D-14, 2.2500D-33, & ! 4 \n & 1.1200D-11, 1.9900D-39, 1.9000D-13, 3.4000D-13/ !+ \n\n DATA ( RTDAT( 2,IRXXN ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00,-2.6000D+00, 0.0000D+00,-1.6000D+00, 0.0000D+00, & ! O \n & -1.5000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 4.5700D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 2.6000D+00,-3.2000D+00, 0.0000D+00, 6.0000D+02, 2.8000D+03, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & -4.1000D+00,-3.5000D+00, 0.0000D+00, 0.0000D+00,-2.4000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00,-3.0000D+00, & ! 4 \n & 4.6000D+02, 0.0000D+00,-3.1000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00,-2.6000D+00, 0.0000D+00,-6.8700D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 5.9000D+01, & ! + \n & 0.0000D+00, 5.4000D+01, 5.5000D+01, 0.0000D+00, 5.7000D+01, & ! 6 \n & 5.8000D+01, 5.9000D+01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 7.0000D+01, 0.0000D+00, & ! 7 \n & 0.0000D+00, 5.8000D+01, 7.0000D+01, 7.5000D+01, 7.6000D+01, & ! + \n & 5.8000D+01, 7.0000D+01, 7.5000D+01, 7.6000D+01, 5.8000D+01, & ! 8 \n & 7.0000D+01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0700D+02, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & -1.5000D+00, 0.0000D+00,-3.1000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00,-3.5000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 5.8000D+01, 7.0000D+01, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 5.8000D+01, 7.0000D+01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 5.8000D+01, 0.0000D+00, 7.0000D+01, 0.0000D+00, 0.0000D+00, & ! 8 \n & 5.8000D+01, 0.0000D+00, 7.0000D+01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 5.8000D+01, 7.0000D+01, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 6.1000D+01, 6.2000D+01, 6.3000D+01, 5.7000D+01, & ! 1 \n & 5.9000D+01, 5.8000D+01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 1.1600D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00,-3.4000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.4153D-08, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00/ !+ \n\n DATA ( RTDAT( 3,IRXXN ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00,-1.4000D+03, 0.0000D+00, 1.9800D+02, & ! O \n & 0.0000D+00,-2.0600D+03, 0.0000D+00, 0.0000D+00, 1.1500D+02, & ! + \n & 0.0000D+00,-9.4000D+02, 6.9300D+02, 1.1000D+02, 2.0000D+02, & ! 1 \n & 9.4500D+02, 0.0000D+00, 2.5000D+02, 1.9000D-33, 2.6600D-54, & ! + \n & 0.0000D+00, 0.0000D+00,-2.0000D+03, 6.6400D+02, 2.7000D+02, & ! 2 \n & -2.4700D+03, 0.0000D+00, 0.0000D+00, 1.1000D+02,-1.2600D+03, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00,-2.4500D+03, & ! 3 \n & 0.0000D+00,-1.1000D+04, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.6000D+02, 0.0000D+00, & ! 4 \n & 2.7000D-17, 0.0000D+00, 0.0000D+00,-1.0650D+04, 0.0000D+00, & ! + \n & 6.9000D+02, 0.0000D+00, 2.9000D+02, 0.0000D+00,-1.0100D+04, & ! 5 \n & 0.0000D+00, 5.8000D+02, 1.0700D+03, 5.0000D+02, 0.0000D+00, & ! + \n & 3.4000D+02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 3.6000D+02, 8.0000D+02, 5.0000D+02, & ! + \n & 3.6000D+02, 7.8000D+02, 5.0000D+02, 0.0000D+00, 3.6000D+02, & ! 7 \n & 8.0000D+02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 1.9000D+02, 0.0000D+00, 1.9000D+02, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 8.5000D+02, 1.9000D+02, & ! 9 \n & 1.3500D+02, 0.0000D+00, 0.0000D+00,-1.6000D+03, 0.0000D+00, & ! + \n & 6.2500D+02,-7.0000D+03, 0.0000D+00, 2.3000D+03,-1.1000D+03, & ! O \n & 3.4500D+02,-1.8600D+03, 0.0000D+00,-8.7000D+02, 4.0500D+02, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 3.4000D+02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 5.7500D+02,-2.1000D+03, 3.4300D-33,-1.6900D+03,-1.0000D+03, & ! 2 \n & -3.4500D+02, 2.0000D+01, 0.0000D+00, 0.0000D+00,-6.2060D+02, & ! + \n & -5.8500D+02, 0.0000D+00,-5.7800D+03,-2.0000D+02, 4.0000D+02, & ! 3 \n & 0.0000D+00,-7.9200D+02, 0.0000D+00,-2.5000D+03,-2.8800D+03, & ! + \n & -2.8000D+02, 0.0000D+00,-1.8800D+03,-1.1550D+03, 0.0000D+00, & ! 4 \n & 5.1900D+02,-1.0130D+03, 0.0000D+00, 3.9000D+02, 0.0000D+00, & ! + \n & 3.6500D+02, 7.0000D+02, 0.0000D+00, 0.0000D+00,-8.3000D+03, & ! 5 \n & -1.9950D+03,-4.4800D+02, 5.1100D+02,-1.7700D+03,-1.8600D+03, & ! + \n & 0.0000D+00, 3.7200D+02, 0.0000D+00,-1.8600D+03,-4.0000D+02, & ! 6 \n & 7.0000D+02, 3.6500D+02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 4.4900D+02,-8.2100D+02, 1.7500D+02, 0.0000D+00, & ! 7 \n & 4.4900D+02,-8.2100D+02, 1.7500D+02,-1.9000D+02, 3.6000D+02, & ! + \n & 0.0000D+00, 1.3000D+03, 0.0000D+00, 3.4000D+02, 3.6000D+02, & ! 8 \n & 0.0000D+00, 1.3000D+03, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 3.6000D+02, 1.3000D+03, 0.0000D+00, 0.0000D+00, 9.5000D+02, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00,-5.0000D+02, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00,-5.0000D+02, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00,-1.6900D+03, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00,-2.0000D+02, 0.0000D+00, 2.9000D+02, & ! + \n & 3.4000D+02,-1.1000D+02, 0.0000D+00, 0.0000D+00,-1.2400D+03, & ! 3 \n & 0.0000D+00, 0.0000D+00,-1.0000D+02, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00,-3.4000D+01, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 4.5000D+01, 5.8000D+01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 3.6000D+02, 1.3000D+03, 3.6000D+02, & ! + \n & 1.3000D+03, 3.6000D+02, 1.3000D+03, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 3.6000D+02, 1.3000D+03, 3.7400D+02, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.0000D-06, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.8000D+02, & ! 8 \n & 1.3000D+03, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.3500D+02, 0.0000D+00, & ! 1 \n & -1.6000D+03, 0.0000D+00, 0.0000D+00,-3.4000D+01, 3.4500D+02, & ! + \n & -1.8600D+03,-1.1000D+03, 0.0000D+00, 0.0000D+00, 4.4800D+02, & ! 2 \n & -2.2830D+03, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.4000D+02, 0.0000D+00, & ! + \n & -1.2565D+03, 0.0000D+00, 0.0000D+00, 0.0000D+00, 6.8000D+02, & ! 4 \n & -2.5000D+02, 5.2700D+03, 5.2000D+02, 2.0810D+03/ !+ \n INTEGER :: IRRFALL( NFALLOFF )\n\n DATA ( IRRFALL( IRXXN ), IRXXN = 1, NFALLOFF ) / & \n & 4, 6, 17, 19, 20, 36, 37, 40, 45, 46, & \n & 48, 49, 52, 54, 55, 123, 136, 138, 142, 221, & \n & 223, 253, 279, 347/\n\n DATA ( RFDAT( 1,IRXXN ), IRXXN = 1, NFALLOFF ) / & \n & 5.0000D-11, 2.3000D-11, 3.9000D-11, 9.8000D+02, 3.1800D+03, & \n & 1.9000D-12, 9.7000D+14, 3.3000D-11, 2.8000D-11, 2.1990D+03, & \n & 4.0000D-12, 6.0000D+15, 2.0000D-12, 1.2400D-11, 1.9000D+17, & \n & 0.0000D+00, 1.0000D-12, 9.0000D-12, 3.0000D-11, 4.0700D-01, & \n & 4.0700D-01, 1.5000D-11, 1.0743D+01, 1.2600D-10/\n\n DATA ( RFDAT( 2,IRXXN ), IRXXN = 1, NFALLOFF ) / & \n & 3.0000D-01, 2.4000D-01,-4.7000D-01, 0.0000D+00, 0.0000D+00, & \n & 2.0000D-01, 1.0000D-01,-3.0000D-01, 0.0000D+00, 6.5000D-34, & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00,-1.1050D+00, 0.0000D+00, & \n & 0.0000D+00, 0.0000D+00,-8.5000D-01,-1.0000D+00,-8.0000D+00, & \n & -8.0000D+00,-1.9000D+00,-6.7130D-01, 0.0000D+00/\n\n DATA ( RFDAT( 3,IRXXN ), IRXXN = 1, NFALLOFF ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & \n & 0.0000D+00,-1.1080D+04, 0.0000D+00, 0.0000D+00, 1.3350D+03, & \n & 0.0000D+00,-1.1170D+04, 0.0000D+00, 0.0000D+00,-1.4100D+04, & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00,-3.4000D+02/\n\n DATA ( RFDAT( 4,IRXXN ), IRXXN = 1, NFALLOFF ) / & \n & 8.5000D-01, 6.0000D-01, 4.2000D-01, 0.0000D+00, 0.0000D+00, & \n & 3.5000D-01, 3.5000D-01, 8.1000D-01, 6.0000D-01, 0.0000D+00, & \n & 4.0000D-01, 4.0000D-01, 5.3000D-01, 3.0000D-01, 3.0000D-01, & \n & 0.0000D+00, 3.7000D-01, 4.8000D-01, 5.0000D-01, 4.1000D-01, & \n & 4.1000D-01, 6.0000D-01, 0.0000D+00, 1.0000D+00/\n\n DATA ( RFDAT( 5,IRXXN ), IRXXN = 1, NFALLOFF ) / & \n & 8.4000D-01, 1.0300D+00, 1.2300D+00, 0.0000D+00, 0.0000D+00, & \n & 1.3300D+00, 1.3300D+00, 8.7000D-01, 1.0000D+00, 0.0000D+00, & \n & 1.2600D+00, 1.2600D+00, 1.1000D+00, 1.4100D+00, 1.4100D+00, & \n & 0.0000D+00, 1.3000D+00, 1.1500D+00, 1.1300D+00, 1.0000D+00, & \n & 1.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00/\n\n REAL( 8 ) :: SC( NRXNS,MXPRD )\n\n DATA ( SC( IRXXN, 1 ), IRXXN = 1, NRXNS ) / & \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! O \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 2.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 1 \n & 1.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 2.0000D+00, 1.0000D+00, 1.0000D+00, 2.0000D+00, 1.0000D+00, & ! 2 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 2.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 2.0000D+00, & ! 3 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 2.0000D+00, 1.0000D+00, & ! + \n & 2.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 4 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 5.9000D-01, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 5 \n & 6.0000D-01, 3.7000D-01, 1.0000D+00, 2.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 6.0000D-01, 3.7000D-01, & ! 6 \n & 1.0000D+00, 2.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, & ! + \n & 1.0000D+00, 9.0000D-01, 1.0000D+00, 6.8500D-01, 1.0000D+00, & ! 7 \n & 1.0000D+00, 8.0000D-01, 6.0000D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 8.0000D-01, 1.0000D+00, 5.0000D-01, 1.0000D+00, 8.0000D-01, & ! 8 \n & 1.0000D+00, 6.0000D-01, 1.0000D+00, 5.4000D-01, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 9 \n & 1.0000D+00, 2.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 5.0000D-01, 1.0000D+00, & ! O \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 2.0000D-01, 7.4000D-01, 1.0000D+00, & ! 1 \n & 1.8000D+00, 2.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 9.9100D-01, & ! 2 \n & 1.0000D+00, 9.5000D-01, 5.0000D-01, 3.8000D-01, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 2.0000D-01, 1.0000D+00, 1.0000D+00, & ! 3 \n & 7.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 5.0000D-01, & ! + \n & 2.0000D-01, 7.8100D-01, 2.9500D-01, 5.0000D-01, 1.2400D+00, & ! 4 \n & 1.3000D+00, 7.3200D-01, 5.0000D-01, 1.0000D+00, 7.5000D-01, & ! + \n & 1.0000D-01, 8.8000D-01, 5.9800D-01, 5.9800D-01, 1.0000D+00, & ! 5 \n & 6.0000D-01, 3.5000D-01, 2.2000D-02, 4.0000D-02, 7.1700D-01, & ! + \n & 7.6000D-01, 9.0400D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 6 \n & 2.7500D-01, 2.7500D-01, 2.2000D-01, 2.7500D-01, 6.3000D-01, & ! + \n & 1.5000D-01, 7.5000D-01, 5.7000D-01, 4.7000D-01, 1.5000D-01, & ! 7 \n & 7.5000D-01, 5.7000D-01, 4.7000D-01, 5.3000D-01, 9.1800D-01, & ! + \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 1.8000D-01, 8.6000D-01, & ! 8 \n & 4.8000D-01, 0.0000D+00, 4.8000D-01, 1.5500D-01, 1.5500D-01, & ! + \n & 8.6000D-01, 0.0000D+00, 2.6000D-01, 2.6000D-01, 2.5000D-02, & ! 9 \n & 3.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 4.0000D-01, 1.0000D+00, 1.2000D+00, 5.0000D-01, & ! O \n & 1.0000D+00, 6.0000D-01, 1.4000D+00, 1.0000D+00, 1.4000D-01, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 3.7000D-01, & ! 1 \n & 1.0000D+00, 8.0000D-01, 5.0000D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 7.3200D-01, 1.0000D+00, 1.2600D-01, 1.0000D+00, & ! 2 \n & 2.0000D+00, 1.0000D+00, 1.0000D+00, 3.0000D-01, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 3 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 3.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 4 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 5 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 6 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 7 \n & 1.0000D+00, 1.0000D+00, 5.0000D-01, 0.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 8 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 9.0700D-01, 9.2500D-01, 9.4300D-01, & ! 9 \n & 5.0000D-01, 5.0000D-01, 1.5000D+00, 1.2500D+00, 1.0000D+00, & ! + \n & 1.2500D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! O \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 1 \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, & ! 2 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 3 \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 5.0000D-01, 1.0000D+00, 1.0000D+00, 5.0000D-01, 5.0000D-01, & ! 4 \n & 1.0000D+00, 7.5000D-01, 1.0000D+00, 8.6000D-01/ !+ \n\n DATA ( SC( IRXXN, 2 ), IRXXN = 1, NRXNS ) / & \n & 1.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, & ! 2 \n & 0.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, 5.9000D-01, & ! + \n & 0.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, & ! 5 \n & 6.0000D-01, 1.3000D-01, 0.0000D+00, 2.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 6.0000D-01, 1.3000D-01, & ! 6 \n & 0.0000D+00, 2.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 1.0000D+00, 1.0000D-01, 9.0000D-01, 3.1500D-01, 1.0000D+00, & ! 7 \n & 0.0000D+00, 8.0000D-01, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 2.0000D-01, 0.0000D+00, 5.0000D-01, 0.0000D+00, 8.0000D-01, & ! 8 \n & 0.0000D+00, 6.0000D-01, 1.0000D+00, 6.0000D-02, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! 9 \n & 1.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 1.0000D+00, 5.0000D-01, 1.0000D+00, & ! O \n & 0.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 2.0000D-01, 8.9000D-01, 1.0000D+00, & ! 1 \n & 2.0000D-01, 2.0000D+00, 1.5000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 9.9100D-01, & ! 2 \n & 1.0000D+00, 9.0000D-01, 5.0000D-01, 1.3800D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 4.2000D-01, 1.0000D+00, 0.0000D+00, & ! 3 \n & 7.0000D-01, 1.0000D+00, 1.0000D+00, 3.5000D-01, 5.0000D-01, & ! + \n & 3.0000D-01, 4.8800D-01, 5.5500D-01, 5.0000D-01, 6.6000D-01, & ! 4 \n & 7.0000D-01, 4.4200D-01, 5.0000D-01, 1.0000D+00, 5.0000D-01, & ! + \n & 9.0000D-01, 1.2000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 5 \n & 6.5000D-01, 6.5000D-01, 5.2100D-01, 2.3100D-01, 1.4200D-01, & ! + \n & 3.4000D-01, 9.3300D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 6 \n & 2.7500D-01, 2.7500D-01, 2.2000D-01, 2.7500D-01, 3.7000D-01, & ! + \n & 5.1200D+00, 5.0000D-01, 7.0000D-02, 2.8000D-01, 5.1200D+00, & ! 7 \n & 5.0000D-01, 7.0000D-02, 2.8000D-01, 3.5200D-01, 8.2000D-02, & ! + \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 6.5000D-01, 1.4000D-01, & ! 8 \n & 5.2000D-01, 0.0000D+00, 5.2000D-01, 5.4400D-01, 5.4400D-01, & ! + \n & 1.4000D-01, 0.0000D+00, 7.7000D-01, 7.7000D-01, 2.5000D-02, & ! 9 \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 5.0000D-01, 5.0000D-01, & ! + \n & 1.0000D+00, 1.0000D+00, 4.0000D-01, 5.0000D-01, 5.0000D-01, & ! O \n & 1.0000D+00, 4.0000D-01, 2.4000D-01, 1.0000D+00, 2.0000D-01, & ! + \n & 1.0000D+00, 5.0000D-01, 0.0000D+00, 1.0000D+00, 1.3000D-01, & ! 1 \n & 1.0000D+00, 8.0000D-01, 5.0000D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 2.6800D-01, 1.0000D+00, 8.7400D-01, 0.0000D+00, & ! 2 \n & 0.0000D+00, 1.0000D+00, 0.0000D+00, 1.4000D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 3 \n & 1.0000D+00, 1.0000D+00, 9.9100D-01, 2.0000D+00, 3.3000D-01, & ! + \n & 7.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 4 \n & 1.0000D+00, 1.0000D+00, 0.0000D+00, 1.8000D-01, 1.5500D-01, & ! + \n & 1.5500D-01, 1.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, & ! 5 \n & 1.0000D+00, 1.0000D+00, 1.6000D-02, 1.4000D-01, 1.5000D-02, & ! + \n & 1.9300D-01, 3.4000D-02, 1.4600D-01, 1.0000D+00, 1.0000D+00, & ! 6 \n & 1.0000D+00, 2.8000D-02, 4.7300D-01, 6.0000D-03, 0.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 5.0000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 6.8800D-01, & ! 8 \n & 1.0000D+00, 4.2200D-01, 7.1100D-01, 3.7000D-01, 2.4000D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 4.8570D-01, 3.0030D-01, & ! O \n & 3.8560D-01, 2.1810D-01, 2.4120D-01, 6.6640D-01, 2.8580D-01, & ! + \n & 3.3030D-01, 3.4440D-01, 3.8860D-01, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 5.8000D-01, & ! 2 \n & 5.2000D-01, 4.5000D-02, 5.8000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 5.0000D-01, 1.0000D+00, 1.0000D+00, 5.0000D-01, 5.0000D-01, & ! 4 \n & 1.0000D+00, 2.5000D-01, 1.0000D+00, 1.0000D+00/ !+ \n\n DATA ( SC( IRXXN, 3 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.1000D-01, & ! + \n & 0.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 4.0000D-01, 1.3000D-01, 0.0000D+00, 0.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 4.0000D-01, 1.3000D-01, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 9.0000D-01, 3.7000D-01, 0.0000D+00, & ! 7 \n & 0.0000D+00, 2.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 8.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.0000D-01, & ! 8 \n & 0.0000D+00, 4.0000D-01, 1.0000D+00, 6.0000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 2.0000D-01, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 8.0000D-01, 1.4000D+00, 0.0000D+00, & ! 1 \n & 2.0000D-01, 0.0000D+00, 5.0000D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 9.0000D-03, & ! 2 \n & 0.0000D+00, 1.0000D-01, 5.0000D-01, 1.3800D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 7.4000D-01, 0.0000D+00, 0.0000D+00, & ! 3 \n & 3.0000D-01, 1.0000D+00, 1.5600D+00, 2.7000D-01, 5.0000D-01, & ! + \n & 1.0000D-01, 4.8800D-01, 2.7000D-01, 4.8000D-01, 1.0000D-01, & ! 4 \n & 1.0000D+00, 1.2800D-01, 4.8000D-01, 1.0000D+00, 2.5000D-01, & ! + \n & 6.7300D-01, 1.2000D-01, 7.2800D-01, 7.2800D-01, 0.0000D+00, & ! 5 \n & 1.5000D-01, 6.4000D-01, 1.1500D-01, 5.3100D-01, 1.4200D-01, & ! + \n & 1.6000D-01, 6.7000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 2.7500D-01, 2.7500D-01, 2.2000D-01, 2.7500D-01, 1.0000D+00, & ! + \n & 1.0000D+00, 2.5000D-01, 6.9000D-01, 7.5000D-01, 1.0000D+00, & ! 7 \n & 2.5000D-01, 6.9000D-01, 7.5000D-01, 3.5200D-01, 9.1800D-01, & ! + \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 7.2000D-01, 4.1700D-01, & ! 8 \n & 7.7000D-01, 0.0000D+00, 7.7000D-01, 6.0200D-01, 6.0200D-01, & ! + \n & 2.2100D-01, 0.0000D+00, 3.5000D-01, 3.5000D-01, 1.0000D+00, & ! 9 \n & 4.8000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 7.0000D-01, 2.0000D+00, 6.0000D-01, 4.5000D-01, & ! O \n & 1.0000D+00, 4.0000D-01, 5.0000D-01, 0.0000D+00, 5.0000D-01, & ! + \n & 0.0000D+00, 5.0000D-01, 0.0000D+00, 0.0000D+00, 1.3000D-01, & ! 1 \n & 1.0000D+00, 1.8000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 2.6800D-01, 0.0000D+00, 1.2600D-01, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, & ! 3 \n & 0.0000D+00, 9.7000D-01, 9.9100D-01, 1.0000D+00, 6.7000D-01, & ! + \n & 4.5000D-01, 9.6000D-01, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 1.0000D+00, 1.0000D+00, 0.0000D+00, 6.5000D-01, 5.4400D-01, & ! + \n & 5.4400D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 5.1000D-02, 0.0000D+00, 2.3000D-02, & ! + \n & 0.0000D+00, 3.9200D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 2.2500D-01, 0.0000D+00, 5.2000D-02, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 6.2000D-03, 2.8620D-01, & ! O \n & 9.5000D-02, 3.0630D-01, 2.0890D-01, 1.4300D-02, 3.9310D-01, & ! + \n & 2.2720D-01, 2.7490D-01, 2.4210D-01, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, & ! 4 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 4.5000D-01/ !+ \n\n DATA ( SC( IRXXN, 4 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.1000D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 4.0000D-01, 5.0000D-01, 0.0000D+00, 0.0000D+00, 2.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 4.0000D-01, 5.0000D-01, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.0000D-01, 1.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 8.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 8.0000D-01, & ! 8 \n & 0.0000D+00, 4.0000D-01, 0.0000D+00, 4.0000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.0000D-01, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 0.0000D+00, 1.5000D-01, 0.0000D+00, & ! 1 \n & 1.0000D+00, 0.0000D+00, 5.0000D-01, 0.0000D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, & ! 2 \n & 0.0000D+00, 1.0000D-01, 5.0000D-01, 6.2000D-01, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 3.7000D-01, 0.0000D+00, 0.0000D+00, & ! 3 \n & 3.0000D-01, 7.0000D-01, 2.2000D-01, 1.7000D-01, 5.0000D-01, & ! + \n & 2.0000D-01, 9.7600D-01, 1.5000D-01, 4.8000D-01, 1.0000D-01, & ! 4 \n & 1.0000D+00, 2.4500D-01, 4.8000D-01, 0.0000D+00, 2.5000D-01, & ! + \n & 9.0000D-01, 1.2000D-01, 7.2000D-02, 7.2000D-02, 0.0000D+00, & ! 5 \n & 2.0000D-01, 3.3000D-01, 1.1500D-01, 1.7000D-01, 1.4200D-01, & ! + \n & 3.4000D-01, 6.7000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 1.1250D+00, 1.2500D-01, 1.0000D-01, 1.2500D-01, 4.4400D-01, & ! + \n & 0.0000D+00, 1.5000D+00, 1.8000D-01, 2.5000D-01, 0.0000D+00, & ! 7 \n & 1.5000D+00, 1.8000D-01, 2.5000D-01, 1.1800D-01, 9.1800D-01, & ! + \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D-01, 4.4300D-01, & ! 8 \n & 2.3000D-01, 0.0000D+00, 2.3000D-01, 2.4400D-01, 2.4400D-01, & ! + \n & 6.7500D-01, 0.0000D+00, 6.5000D-01, 6.5000D-01, 2.0000D-01, & ! 9 \n & 1.2000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 1.0000D+00, 7.0000D-01, 2.0000D+00, 1.0000D-01, 4.5000D-01, & ! O \n & 0.0000D+00, 4.0000D-01, 1.2000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 8.0000D-01, 0.0000D+00, 0.0000D+00, 5.0000D-01, & ! 1 \n & 2.0000D+00, 2.0000D-01, 5.0000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 0.0000D+00, 8.7400D-01, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 3.0000D-02, 9.0000D-03, 1.0000D+00, 2.0000D+00, & ! + \n & 5.5000D-01, 4.0000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 7.2000D-01, 6.0200D-01, & ! + \n & 6.0200D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 4.7000D-02, 0.0000D+00, 6.0000D-02, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 1.9100D-01, 0.0000D+00, 8.1000D-02, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.5000D-03, 4.1000D-03, & ! O \n & 1.3730D-01, 1.5300D-02, 3.0000D-01, 1.2300D-02, 1.3900D-02, & ! + \n & 2.6070D-01, 4.9100D-02, 6.4000D-02, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 4.5000D-01/ !+ \n\n DATA ( SC( IRXXN, 5 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 4.0000D-01, 5.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.0000D-01, 5.0000D-01, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 9.0000D-01, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 0.0000D+00, 1.9000D-01, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 7.8000D-02, 5.0000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 4.0000D-02, 0.0000D+00, 0.0000D+00, & ! 3 \n & 3.0000D-01, 7.0000D-01, 0.0000D+00, 4.2000D-01, 1.0000D+00, & ! + \n & 2.0000D-01, 1.9500D-01, 1.5000D-01, 4.0000D-02, 1.0000D-01, & ! 4 \n & 0.0000D+00, 5.0000D-01, 4.0000D-02, 0.0000D+00, 2.5000D-01, & ! + \n & 8.1800D-01, 1.2000D-01, 8.0000D-01, 1.0720D+00, 0.0000D+00, & ! 5 \n & 3.5000D-01, 3.0000D-02, 2.6900D-01, 1.7000D-01, 1.4200D-01, & ! + \n & 2.0800D-01, 2.9000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 8.2500D-01, 8.2500D-01, 6.6000D-01, 8.2500D-01, 1.8500D-01, & ! + \n & 0.0000D+00, 2.8000D-01, 9.4000D-01, 1.2800D+00, 0.0000D+00, & ! 7 \n & 2.8000D-01, 9.4000D-01, 1.2800D+00, 1.1800D-01, 9.1800D-01, & ! + \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D-01, 6.6000D-01, & ! 8 \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 2.4400D-01, 2.4400D-01, & ! + \n & 3.0000D-01, 0.0000D+00, 1.0000D+00, 1.0000D+00, 7.3200D-01, & ! 9 \n & 2.4000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 3.0000D-01, 0.0000D+00, 5.0000D-01, 1.0000D-01, & ! O \n & 0.0000D+00, 0.0000D+00, 8.0000D-02, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 2.0000D-01, 0.0000D+00, 0.0000D+00, 5.0000D-01, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, & ! + \n & 3.0000D-01, 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D-01, 2.4400D-01, & ! + \n & 2.4400D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.6000D-03, 3.5000D-03, & ! O \n & 5.0000D-04, 1.0430D-01, 2.0280D-01, 1.2390D-01, 1.0270D-01, & ! + \n & 7.0200D-02, 2.5770D-01, 3.8500D-02, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.4000D-01/ !+ \n\n DATA ( SC( IRXXN, 6 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 5.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.0000D-01, 5.0000D-01, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.1000D-01, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 1.1000D-02, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 9.4000D-01, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 3.0000D-01, 0.0000D+00, 0.0000D+00, 1.1250D+00, & ! + \n & 2.0000D-01, 2.4000D-02, 3.3400D-01, 1.0000D+00, 1.0000D-01, & ! 4 \n & 0.0000D+00, 3.0000D-01, 1.0000D+00, 0.0000D+00, 2.5000D-01, & ! + \n & 8.2000D-02, 0.0000D+00, 2.0000D-01, 0.0000D+00, 0.0000D+00, & ! 5 \n & 2.6600D-01, 1.0000D+00, 2.6900D-01, 5.4300D-01, 1.1300D-01, & ! + \n & 2.6000D-01, 2.9000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 3.7500D-01, 3.7500D-01, 3.0000D-01, 3.7500D-01, 1.0400D-01, & ! + \n & 0.0000D+00, 1.6600D+00, 2.4000D-01, 4.7000D-01, 0.0000D+00, & ! 7 \n & 1.6600D+00, 2.4000D-01, 4.7000D-01, 5.3000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 7.0000D-02, 2.0000D-01, & ! 8 \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 5.8000D-02, 5.8000D-02, & ! + \n & 5.6000D-01, 0.0000D+00, 1.0000D+00, 1.0000D+00, 2.0000D-02, & ! 9 \n & 2.4000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.0000D-01, 1.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 2.0000D-02, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 5.0000D-01, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00,-1.2600D-01, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00,-1.0000D+00, & ! + \n & 3.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D-01, 2.4400D-01, & ! + \n & 2.4400D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.3000D-03, 2.2390D-01, & ! O \n & 2.0510D-01, 1.8930D-01, 4.7100D-02, 1.8310D-01, 2.0450D-01, & ! + \n & 1.1160D-01, 7.3900D-02, 2.6670D-01, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 5.5000D-01/ !+ \n\n DATA ( SC( IRXXN, 7 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.1000D-01, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00,-2.5000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 9.8000D-01, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 1.0000D-02, 1.1950D+00, 8.0000D-02, 5.0000D-01, 0.0000D+00, & ! 4 \n & 0.0000D+00, 3.0000D-01, 5.0000D-01, 0.0000D+00, 2.5000D-01, & ! + \n & 8.2000D-02, 0.0000D+00, 8.7200D-01, 0.0000D+00, 0.0000D+00, & ! 5 \n & 2.0000D-01, 3.5000D-01, 4.5700D-01, 4.6100D-01, 1.1300D-01, & ! + \n & 2.4000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 7.4000D-02, 1.0000D+00, 2.0000D-01, 2.5100D-01, 5.9200D-01, & ! + \n & 0.0000D+00, 4.7000D-01, 1.0000D-03, 5.3000D-01, 0.0000D+00, & ! 7 \n & 4.7000D-01, 1.0000D-03, 5.3000D-01, 1.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.8000D-01, 8.6000D-01, & ! 8 \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 1.5500D-01, 1.5500D-01, & ! + \n & 8.6000D-01, 0.0000D+00, 1.0000D+00, 0.0000D+00, 2.0000D-02, & ! 9 \n & 4.8000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.0000D-01, 2.5000D-01, & ! O \n & 0.0000D+00, 0.0000D+00, 1.9800D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 1.7000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 7.0000D-02, 5.8000D-02, & ! + \n & 5.8000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.9440D-01, 1.8200D-01, & ! O \n & 1.7640D-01, 1.6680D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00/ !+ \n\n DATA ( SC( IRXXN, 8 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.1000D-01, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 2.0000D-02, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 2.1000D-01,-7.3000D-01, 3.7800D-01, 2.5000D-01, 0.0000D+00, & ! 4 \n & 0.0000D+00, 2.4000D-01, 6.2500D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 2.0000D-01, 3.5000D-01, 1.1700D-01, 1.5000D-01, 7.1700D-01, & ! + \n & 2.4000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 2.5100D-01, 2.5100D-01, 1.7400D+00, 2.1750D+00, 3.3100D-01, & ! + \n & 0.0000D+00, 1.0000D+00, 7.0000D+00, 1.0000D+00, 0.0000D+00, & ! 7 \n & 1.0000D+00, 7.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 1.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.5000D-01, & ! O \n & 0.0000D+00, 0.0000D+00, 5.6000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.8000D-01, 1.5500D-01, & ! + \n & 1.5500D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.0210D-01, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00/ !+ \n\n DATA ( SC( IRXXN, 9 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00,-2.7000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 2.0000D-01, 0.0000D+00, 7.5000D-02, 3.7500D-01, 0.0000D+00, & ! 4 \n & 0.0000D+00, 6.0000D-02, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 6.6000D-02, 1.0000D+00, 1.3700D-01, 3.9800D-01, 7.1700D-01, & ! + \n & 1.7000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 2.1750D+00, 2.1750D+00, 8.0000D-01, 1.0000D+00, 1.8500D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 2.1000D-01, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 2.1000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 7.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.9000D-03, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00/ !+ \n\n DATA ( SC( IRXXN, 10 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 1.0000D-01, 0.0000D+00, 7.5000D-02,-1.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 2.9000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 6.6000D-02, 0.0000D+00, 1.3700D-01, 1.4300D-01, 2.8400D-01, & ! + \n & 1.2800D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 2.0000D-01, 0.0000D+00, 2.7000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 3.9000D-01, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 3.9000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.3000D-03, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00/ !+ \n\n DATA ( SC( IRXXN, 11 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 9.0000D-02, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 8.0000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 1.3700D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 8.4000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 8.0000D-01, 0.0000D+00, 9.8000D-02, & ! + \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00/ !+ \n\n DATA ( SC( IRXXN, 12 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.3000D-01, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 8.0000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 6.5800D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 7.8000D-02, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00/ !+ \n\n DATA ( SC( IRXXN, 13 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 4.0000D-02, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.6600D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00/ !+ \n\n DATA ( SC( IRXXN, 14 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00,-7.9000D-01, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00/ !+ \n\n INTEGER :: NREACT( NRXNS )\n\n DATA ( NREACT( IRXXN ), IRXXN = 1, NRXNS ) / & \n & 1, 1, 2, 2, 2, 2, 2, 1, 1, 1, & ! O \n & 1, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 1 \n & 1, 2, 2, 2, 2, 2, 1, 1, 2, 2, & ! 2 \n & 2, 2, 2, 2, 2, 2, 1, 1, 1, 2, & ! 3 \n & 2, 2, 1, 2, 2, 2, 1, 2, 1, 1, & ! 4 \n & 2, 2, 2, 2, 1, 1, 2, 2, 2, 2, & ! 5 \n & 2, 2, 1, 1, 2, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 1, 2, 1, & ! 8 \n & 2, 1, 2, 2, 2, 2, 1, 1, 2, 2, & ! 9 \n & 2, 1, 2, 2, 2, 2, 2, 1, 2, 2, & ! O \n & 2, 1, 2, 1, 2, 2, 1, 2, 1, 2, & ! 1 \n & 2, 1, 2, 1, 2, 2, 2, 1, 1, 2, & ! 2 \n & 2, 2, 1, 1, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 1, 2, 2, 2, 2, 2, & ! 5 \n & 1, 2, 1, 2, 2, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 9 \n & 1, 1, 2, 2, 2, 1, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 1, 2, 2, 2, 2, 2, 2, & ! 1 \n & 1, 1, 1, 1, 2, 1, 1, 2, 2, 2, & ! 2 \n & 2, 2, 2, 1, 1, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 1, 2, 1, 1, 1, 1, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 1, & ! 6 \n & 1, 1, 1, 1, 2, 2, 2, 1, 1, 1, & ! 7 \n & 2, 1, 1, 1, 2, 2, 2, 2, 2, 2, & ! 8 \n & 1, 1, 1, 1, 1, 1, 1, 1, 2, 2, & ! 9 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 2, 2, 1, 1, 2, 2, & ! 1 \n & 2, 2, 1, 2, 2, 2, 2, 2, 2, 2, & ! 2 \n & 2, 1, 2, 2, 2, 2, 1, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2/ !4 \n INTEGER :: NPRDCT( NRXNS )\n\n DATA ( NPRDCT( IRXXN ), IRXXN = 1, NRXNS ) / & \n & 2, 1, 1, 1, 1, 1, 0, 1, 1, 1, & ! O \n & 1, 1, 1, 1, 1, 1, 1, 0, 1, 1, & ! 1 \n & 1, 1, 2, 1, 2, 1, 2, 1, 1, 2, & ! 2 \n & 1, 2, 2, 1, 1, 1, 2, 2, 1, 1, & ! 3 \n & 1, 2, 2, 1, 1, 1, 2, 1, 2, 4, & ! 4 \n & 1, 3, 3, 1, 2, 5, 6, 1, 2, 4, & ! 5 \n & 4, 1, 2, 6, 6, 1, 2, 1, 1, 0, & ! 6 \n & 3, 2, 5, 4, 2, 1, 4, 2, 1, 1, & ! 7 \n & 3, 1, 2, 1, 4, 1, 4, 3, 4, 2, & ! 8 \n & 1, 1, 1, 2, 1, 2, 2, 1, 3, 3, & ! 9 \n & 1, 2, 3, 4, 2, 1, 2, 4, 2, 1, & ! O \n & 2, 5, 3, 8, 2, 4, 2, 5, 3, 4, & ! 1 \n & 2, 1, 1, 2, 4, 2, 6, 7, 4, 4, & ! 2 \n & 1, 1, 9, 2, 1, 5, 6, 4, 5, 6, & ! 3 \n & 10, 8, 14, 10, 6, 4, 12, 9, 3, 7, & ! 4 \n & 7, 5, 7, 5, 2, 10, 9, 12, 10, 10, & ! 5 \n & 11, 6, 2, 2, 2, 9, 9, 11, 9, 13, & ! 6 \n & 3, 8, 11, 8, 3, 8, 11, 7, 7, 5, & ! 7 \n & 5, 0, 4, 8, 7, 7, 0, 6, 8, 8, & ! 8 \n & 7, 0, 7, 6, 7, 9, 1, 1, 2, 3, & ! 9 \n & 4, 5, 4, 7, 8, 3, 4, 8, 2, 3, & ! O \n & 2, 5, 1, 2, 6, 4, 4, 4, 2, 2, & ! 1 \n & 2, 5, 2, 6, 1, 1, 2, 1, 2, 2, & ! 2 \n & 1, 3, 2, 3, 3, 2, 5, 5, 4, 6, & ! 3 \n & 8, 5, 3, 2, 2, 3, 3, 1, 9, 9, & ! 4 \n & 9, 2, 1, 2, 2, 2, 2, 4, 2, 4, & ! 5 \n & 2, 3, 2, 2, 2, 2, 4, 2, 4, 1, & ! 6 \n & 2, 2, 1, 1, 1, 1, 1, 2, 0, 1, & ! 7 \n & 1, 1, 1, 1, 2, 2, 2, 2, 2, 2, & ! 8 \n & 0, 1, 1, 1, 1, 1, 1, 1, 3, 1, & ! 9 \n & 3, 1, 2, 10, 7, 7, 7, 6, 6, 6, & ! O \n & 6, 6, 6, 1, 1, 1, 0, 0, 1, 1, & ! 1 \n & 1, 1, 0, 1, 2, 2, 2, 2, 1, 1, & ! 2 \n & 1, 0, 1, 1, 1, 1, 0, 1, 1, 1, & ! 3 \n & 3, 2, 2, 3, 3, 3, 3, 4, 6/ !4 \n\n INTEGER, PARAMETER :: MHETERO = 18\n INTEGER :: IHETERO( MHETERO,2 )\n\n DATA ( IHETERO( IRXXN,1 ), IRXXN = 1, MHETERO ) / & \n & 256, 257, 270, 271, 272, 273, 274, 275, 276, 277, & \n & 278, 280, 281, 282, 283, 284, 300, 302/\n\n DATA ( IHETERO( IRXXN,2 ), IRXXN = 1, MHETERO ) / & \n & 1, 2, 3, 4, 5, 6, 7, 8, 8, 9, & \n & 10, 11, 12, 13, 14, 15, 16, 17/\n\n INTEGER, PARAMETER :: NPHOTAB = 32\n CHARACTER( 16 ) :: PHOTAB( NPHOTAB )\n\n DATA ( PHOTAB( IRXXN ), IRXXN = 1, NPHOTAB ) / & \n & 'NO2_IUPAC10 ', 'O3_O3P_IUPAC10 ', 'O3_O1D_IUPAC10 ', & \n & 'H2O2_IUPAC10 ', 'NO3NO2_06 ', 'NO3NO_06 ', & \n & 'N2O5_IUPAC10 ', 'HONO_IUPAC10 ', 'HNO3_IUPAC10 ', & \n & 'PNA_IUPAC10 ', 'PAN_IUPAC10 ', 'MEPX_IUPAC10 ', & \n & 'NTR_IUPAC10 ', 'FORM_R_IUPAC13 ', 'FORM_M_IUPAC13 ', & \n & 'ALD2_R_IUPAC13 ', 'ALDX_R_IUPAC13 ', 'GLYD_IUPAC13 ', & \n & 'GLY_R_IUPAC13 ', 'MGLY_IUPAC10 ', 'KET_IUPAC10 ', & \n & 'ACET_IUPAC10 ', 'ISPD ', 'HPALD ', & \n & 'CL2_IUPAC04 ', 'HOCL_IUPAC04 ', 'FMCL_IUPAC04 ', & \n & 'CLNO2_IUPAC13 ', 'CLONO2_1 ', 'CLONO2_2 ', & \n & 'IC3ONO2 ', 'ACRO_09 '/\n\n INTEGER, PARAMETER :: NHETERO = 17\n CHARACTER( 16 ) :: HETERO( NHETERO )\n\n DATA ( HETERO( IRXXN ), IRXXN = 1, NHETERO ) / & \n & 'HETERO_CLNO3_WAI', 'HETERO_CLNO3_WAJ', 'HETERO_NTR2 ', &\n & 'HETERO_N2O5IJ ', 'HETERO_N2O5K ', 'HETERO_H2NO3PAIJ', &\n & 'HETERO_H2NO3PAK ', 'HETERO_H2NO3PBIJ', 'HETERO_H2NO3PBK ', &\n & 'HETERO_NO2 ', 'HETERO_IEPOX ', 'HETERO_IEPOXOS ', &\n & 'HETERO_TETROL ', 'HETERO_GLY ', 'HETERO_MGLY ', &\n & 'HETERO_PNCOMLI ', 'HETERO_PNCOMLJ '/\n\n CHARACTER( 16 ) :: RXLABEL( NRXNS )\n\n DATA ( RXLABEL( IRXXN ), IRXXN = 1, NRXNS ) / & \n & 'R1 ', 'R2 ', 'R3 ', & ! 0 \n & 'R4 ', 'R5 ', 'R6 ', & ! 1 \n & 'R7 ', 'R8 ', 'R9 ', & ! 2 \n & 'R10 ', 'R11 ', 'R12 ', & ! 3 \n & 'R13 ', 'R14 ', 'R15 ', & ! 4 \n & 'R16 ', 'R17 ', 'R18 ', & ! 5 \n & 'R19 ', 'R20 ', 'R21 ', & ! 6 \n & 'R22 ', 'R23 ', 'R24 ', & ! 7 \n & 'R25 ', 'R26 ', 'R27 ', & ! 8 \n & 'R28 ', 'R29 ', 'R30 ', & ! 9 \n & 'R31 ', 'R32 ', 'R33 ', & ! 0 \n & 'R34 ', 'R35 ', 'R36 ', & ! 1 \n & 'R37 ', 'R38 ', 'R39 ', & ! 2 \n & 'R40 ', 'R41 ', 'R42 ', & ! 3 \n & 'R43 ', 'R44 ', 'R45 ', & ! 4 \n & 'R46 ', 'R47 ', 'R48 ', & ! 5 \n & 'R49 ', 'R50 ', 'R51 ', & ! 6 \n & 'R52 ', 'R53 ', 'R54 ', & ! 7 \n & 'R55 ', 'R56 ', 'R57 ', & ! 8 \n & 'R58 ', 'R59 ', 'R60 ', & ! 9 \n & 'R61 ', 'R62 ', 'R63 ', & ! 0 \n & 'R64 ', 'R65 ', 'R66 ', & ! 1 \n & 'R67 ', 'R68 ', 'R69 ', & ! 2 \n & 'R70 ', 'R71 ', 'R72 ', & ! 3 \n & 'R73 ', 'R74 ', 'R75 ', & ! 4 \n & 'R76 ', 'R77 ', 'R78 ', & ! 5 \n & 'R79 ', 'R80 ', 'R81 ', & ! 6 \n & 'R82 ', 'R83 ', 'R84 ', & ! 7 \n & 'R85 ', 'R86 ', 'R87 ', & ! 8 \n & 'R88 ', 'R89 ', 'R90 ', & ! 9 \n & 'R91 ', 'R92 ', 'R93 ', & ! 0 \n & 'R94 ', 'R95 ', 'R96 ', & ! 1 \n & 'R97 ', 'R98 ', 'R99 ', & ! 2 \n & 'R100 ', 'R101 ', 'R102 ', & ! 3 \n & 'R103 ', 'R104 ', 'R105 ', & ! 4 \n & 'R106 ', 'R107 ', 'R108 ', & ! 5 \n & 'R109 ', 'R110 ', 'R111 ', & ! 6 \n & 'R112 ', 'R113 ', 'R114 ', & ! 7 \n & 'R115 ', 'R116 ', 'R117 ', & ! 8 \n & 'R118 ', 'R119 ', 'R120 ', & ! 9 \n & 'R121 ', 'R122 ', 'R123 ', & ! 0 \n & 'R124 ', 'R125 ', 'R126 ', & ! 1 \n & 'R127 ', 'R128 ', 'R129 ', & ! 2 \n & 'R130 ', 'R131 ', 'R132 ', & ! 3 \n & 'R133 ', 'R134 ', 'R135 ', & ! 4 \n & 'R136 ', 'R137 ', 'R138 ', & ! 5 \n & 'R139 ', 'R140 ', 'R141 ', & ! 6 \n & 'R142 ', 'R143 ', 'R144 ', & ! 7 \n & 'R145 ', 'R146 ', 'R147 ', & ! 8 \n & 'R148 ', 'R149 ', 'R150 ', & ! 9 \n & 'R151 ', 'R152 ', 'R153 ', & ! 0 \n & 'R154 ', 'R155 ', 'R156 ', & ! 1 \n & 'R157 ', 'R158 ', 'R159 ', & ! 2 \n & 'R160 ', 'R161 ', 'R162 ', & ! 3 \n & 'R163 ', 'R164 ', 'R165 ', & ! 4 \n & 'R166 ', 'R167 ', 'R168 ', & ! 5 \n & 'R169 ', 'R170 ', 'R171 ', & ! 6 \n & 'R172 ', 'R173 ', 'R174 ', & ! 7 \n & 'R171a ', 'R172a ', 'R173a ', & ! 8 \n & 'R174a ', 'R175 ', 'R176 ', & ! 9 \n & 'R177 ', 'R178 ', 'R179 ', & ! 0 \n & 'R180 ', 'R181 ', 'R182 ', & ! 1 \n & 'R183 ', 'R184 ', 'R185 ', & ! 2 \n & 'R185a ', 'R186 ', 'R187 ', & ! 3 \n & 'R188 ', 'R189 ', 'R190 ', & ! 4 \n & 'R191 ', 'R192 ', 'R193 ', & ! 5 \n & 'R194 ', 'R195 ', 'R196 ', & ! 6 \n & 'R197 ', 'R198 ', 'R199 ', & ! 7 \n & 'R200 ', 'R201 ', 'R202 ', & ! 8 \n & 'R203 ', 'R204 ', 'R205 ', & ! 9 \n & 'R206 ', 'R207 ', 'R208 ', & ! 0 \n & 'R209 ', 'R210 ', 'R211 ', & ! 1 \n & 'R212 ', 'R213 ', 'R214 ', & ! 2 \n & 'R216 ', 'R217 ', 'R218 ', & ! 3 \n & 'R219 ', 'R220 ', 'R221 ', & ! 4 \n & 'CL1 ', 'CL2 ', 'CL3 ', & ! 5 \n & 'CL4 ', 'CL5 ', 'CL6 ', & ! 6 \n & 'CL7 ', 'CL8 ', 'CL9 ', & ! 7 \n & 'CL10 ', 'CL11 ', 'CL12 ', & ! 8 \n & 'CL13 ', 'CL14 ', 'CL15 ', & ! 9 \n & 'CL16 ', 'CL17 ', 'CL18 ', & ! 0 \n & 'CL19 ', 'CL20 ', 'CL21 ', & ! 1 \n & 'CL22 ', 'CL23 ', 'CL24 ', & ! 2 \n & 'CL25 ', 'CL26 ', 'CL27 ', & ! 3 \n & 'CL28 ', 'CL30 ', 'CL31 ', & ! 4 \n & 'HET_CLNO3_WAI ', 'HET_CLNO3_WAJ ', 'SA01 ', & ! 5 \n & 'SA02 ', 'SA03 ', 'SA04 ', & ! 6 \n & 'SA06 ', 'SA07 ', 'SA08 ', & ! 7 \n & 'SA09 ', 'SA10 ', 'SA11 ', & ! 8 \n & 'SA12 ', 'SA13 ', 'HET_NTR2 ', & ! 9 \n & 'HET_N2O5IJ ', 'HET_N2O5K ', 'HET_H2NO3PIJA ', & ! 0 \n & 'HET_H2NO3PKA ', 'HET_H2NO3PIB ', 'HET_H2NO3PJB ', & ! 1 \n & 'HET_H2NO3PKB ', 'HET_N02 ', 'HAL_Ozone ', & ! 2 \n & 'HET_IEPOX ', 'HET_IEPOXOS ', 'HET_TETROL ', & ! 3 \n & 'HET_GLY ', 'HET_MGLY ', 'BL18a ', & ! 4 \n & 'BL18b ', 'BL18c ', 'BL18d ', & ! 5 \n & 'CP07mtp ', 'BP70mtp ', 'BP71mtp ', & ! 6 \n & 'HYD_MT ', 'OLIG_AROMATIC1 ', 'OLIG_AROMATIC2 ', & ! 7 \n & 'OLIG_AROMATIC3 ', 'OLIG_ISOPRENE1 ', 'OLIG_ISOPRENE2 ', & ! 8 \n & 'OLIG_SESQT1 ', 'RPOAGEPI ', 'RPOAGELI ', & ! 9 \n & 'RPOAGEPJ ', 'RPOAGELJ ', 'PCSOA ', & ! 0 \n & 'POA_AGE1 ', 'POA_AGE2 ', 'POA_AGE3 ', & ! 1 \n & 'POA_AGE4 ', 'POA_AGE5 ', 'POA_AGE6 ', & ! 2 \n & 'POA_AGE7 ', 'POA_AGE8 ', 'POA_AGE9 ', & ! 3 \n & 'POA_AGE10 ', 'T01 ', 'T02 ', & ! 4 \n & 'T03 ', 'T04 ', 'T05 ', & ! 5 \n & 'TCL1 ', 'T06 ', 'T07 ', & ! 6 \n & 'T08 ', 'T09 ', 'TCL2 ', & ! 7 \n & 'T10 ', 'T11 ', 'T12 ', & ! 8 \n & 'TCL3 ', 'T13 ', 'T14 ', & ! 9 \n & 'T15 ', 'T16 ', 'TCL4 ', & ! 0 \n & 'T17 ', 'T18 ', 'T19 ', & ! 1 \n & 'T20 ', 'TCL5 ', 'T21 ', & ! 2 \n & 'TCL6 ', 'HG1 ', 'HG2 ', & ! 3 \n & 'HG3 ', 'HG4 ', 'HG5 ', & ! 4 \n & 'DMS1 ', 'DMS2 ', 'DMS3 ', & ! 5 \n & 'DMS4 '/ ! 6 \n\n! NSPECIAL = Number of special rate coefficients\n! SPECIAL = Names of special rate coefficients\n! NSPECIAL_RXN = Number of reactions with special rates\n! ISPECIAL = Pointers to reactions using special rates and their special rate coefficients\n! MAXSPECTERMS = Max Number of terms type used by special rate coefficients\n! KC_COEFFS = Coefficients of standard rate coefficients times concentration terms \n! INDEX_KTERMS = Pointers to standard rate coefficients in special rate coefficients\n! INDEX_CTERMS = Pointers to species concentrations in special rate coefficients\n! OPERATOR_COEFFS = Coefficients of preceeding special rate coefficients used in special coefficient \n! OPERATORS = Pointers to preceeding special rate coefficients used in special coefficient \n\n! Special Rate information not available ..\n INTEGER, PARAMETER :: NSPECIAL_RXN = 0\n INTEGER :: ISPECIAL( 1, 2 )\n\n! Special Rate information not available ...\n INTEGER, PARAMETER :: NSPECIAL = 0\n\n! Special Rate information not available ...\n CHARACTER( 16 ) :: SPECIAL( 1 )\n\n INTEGER, PARAMETER :: MAXSPECTERMS = 1\n REAL( 8 ) :: KC_COEFFS( NSPECIAL + 1, MAXSPECTERMS)\n INTEGER :: INDEX_KTERMS( NSPECIAL + 1, MAXSPECTERMS)\n INTEGER :: INDEX_CTERMS( NSPECIAL + 1, MAXSPECTERMS)\n REAL( 8 ) :: OPERATOR_COEFFS( NSPECIAL + 1, MAXSPECTERMS)\n INTEGER :: OPERATORS( NSPECIAL + 1, MAXSPECTERMS)\n\n\n! Steady-state species section\n! N_SS_SPC = Number of species assumed to be in steady-state\n! SS_SPC_DIM = Dimension paramete for steady-state species\n! SS_SPC = Names of species assumed to be in steady-state\n! MAX_SS_LOSS = Max no. of SS loss rxns for any SS species\n! MAX_SS_PROD = Max no. of SS prod rxns for any SS species\n! N_LOSS_RXNS = No. of SS loss rxns for each SS species\n! N_PROD_RXNS = No. of SS prod rxns for each SS species\n! SS_LOSS_RXNS = List of SS loss rxns for each SS species\n! SS_PROD_RXNS = List of SS prod rxns for each SS species\n! SS_PROD_COEF = List of SS prod yields for each SS species\n! SS_RCT_IND = SS species index if it is a rxn reactant\n\n INTEGER, PARAMETER :: N_SS_SPC = 0\n\n INTEGER, PARAMETER :: SS_SPC_DIM = 1\n\n INTEGER, PARAMETER :: MAX_SS_LOSS = 0\n\n INTEGER, PARAMETER :: MAX_SS_PROD = 0\n\n CHARACTER( 16 ) :: SS_SPC( 1 )\n\n INTEGER :: N_LOSS_RXNS( 1 )\n INTEGER :: N_PROD_RXNS( 1 )\n INTEGER :: SS_LOSS_RXNS( 1, 1 )\n INTEGER :: SS_PROD_RXNS( 1, 1 )\n INTEGER :: SS_RCT_IND( 1 )\n\n REAL :: SS_PROD_COEF( 1,1 ) \n LOGICAL, PARAMETER :: USE_SPECIAL_RATES = .FALSE.\n! pointers and names to specific photolysis rates\n INTEGER, PARAMETER :: IJ_NO2_IUPAC10 = 1\n INTEGER, PARAMETER :: IJ_O3_O3P_IUPAC10 = 2\n INTEGER, PARAMETER :: IJ_O3_O1D_IUPAC10 = 3\n INTEGER, PARAMETER :: IJ_H2O2_IUPAC10 = 4\n INTEGER, PARAMETER :: IJ_NO3NO2_06 = 5\n INTEGER, PARAMETER :: IJ_NO3NO_06 = 6\n INTEGER, PARAMETER :: IJ_N2O5_IUPAC10 = 7\n INTEGER, PARAMETER :: IJ_HONO_IUPAC10 = 8\n INTEGER, PARAMETER :: IJ_HNO3_IUPAC10 = 9\n INTEGER, PARAMETER :: IJ_PNA_IUPAC10 = 10\n INTEGER, PARAMETER :: IJ_PAN_IUPAC10 = 11\n INTEGER, PARAMETER :: IJ_MEPX_IUPAC10 = 12\n INTEGER, PARAMETER :: IJ_NTR_IUPAC10 = 13\n INTEGER, PARAMETER :: IJ_FORM_R_IUPAC13 = 14\n INTEGER, PARAMETER :: IJ_FORM_M_IUPAC13 = 15\n INTEGER, PARAMETER :: IJ_ALD2_R_IUPAC13 = 16\n INTEGER, PARAMETER :: IJ_ALDX_R_IUPAC13 = 17\n INTEGER, PARAMETER :: IJ_GLYD_IUPAC13 = 18\n INTEGER, PARAMETER :: IJ_GLY_R_IUPAC13 = 19\n INTEGER, PARAMETER :: IJ_MGLY_IUPAC10 = 20\n INTEGER, PARAMETER :: IJ_KET_IUPAC10 = 21\n INTEGER, PARAMETER :: IJ_ACET_IUPAC10 = 22\n INTEGER, PARAMETER :: IJ_ISPD = 23\n INTEGER, PARAMETER :: IJ_HPALD = 24\n INTEGER, PARAMETER :: IJ_CL2_IUPAC04 = 25\n INTEGER, PARAMETER :: IJ_HOCL_IUPAC04 = 26\n INTEGER, PARAMETER :: IJ_FMCL_IUPAC04 = 27\n INTEGER, PARAMETER :: IJ_CLNO2_IUPAC13 = 28\n INTEGER, PARAMETER :: IJ_CLONO2_1 = 29\n INTEGER, PARAMETER :: IJ_CLONO2_2 = 30\n INTEGER, PARAMETER :: IJ_IC3ONO2 = 31\n INTEGER, PARAMETER :: IJ_ACRO_09 = 32\n INTEGER, PARAMETER :: IK_HETERO_CLNO3_WAI = 1\n INTEGER, PARAMETER :: IK_HETERO_CLNO3_WAJ = 2\n INTEGER, PARAMETER :: IK_HETERO_NTR2 = 3\n INTEGER, PARAMETER :: IK_HETERO_N2O5IJ = 4\n INTEGER, PARAMETER :: IK_HETERO_N2O5K = 5\n INTEGER, PARAMETER :: IK_HETERO_H2NO3PAIJ = 6\n INTEGER, PARAMETER :: IK_HETERO_H2NO3PAK = 7\n INTEGER, PARAMETER :: IK_HETERO_H2NO3PBIJ = 8\n INTEGER, PARAMETER :: IK_HETERO_H2NO3PBK = 9\n INTEGER, PARAMETER :: IK_HETERO_NO2 = 10\n INTEGER, PARAMETER :: IK_HETERO_IEPOX = 11\n INTEGER, PARAMETER :: IK_HETERO_IEPOXOS = 12\n INTEGER, PARAMETER :: IK_HETERO_TETROL = 13\n INTEGER, PARAMETER :: IK_HETERO_GLY = 14\n INTEGER, PARAMETER :: IK_HETERO_MGLY = 15\n INTEGER, PARAMETER :: IK_HETERO_PNCOMLI = 16\n INTEGER, PARAMETER :: IK_HETERO_PNCOMLJ = 17\n END MODULE RXNS_DATA\n" }, { "path": "CCTM/src/MECHS/cb6r5_ae7_aq/RXNS_FUNC_MODULE.F90", "content": " MODULE RXNS_FUNCTION\n\n\n IMPLICIT NONE\n\n\n\n! Name of Mechanism CB6R5_AE7_AQ\n\n PUBLIC :: CALC_RCONST, SPECIAL_RATES, MAP_CHEMISTRY_SPECIES\n\n CONTAINS\n\n\n REAL( 8 ) FUNCTION POWER_T02( TEMPOT300,A0,B0 )\n IMPLICIT NONE\n! rate constant for CMAQ Arrhenuis reaction type 2\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: TEMPOT300\n REAL( 8 ), INTENT( IN ) :: A0\n REAL( 8 ), INTENT( IN ) :: B0\n ! Local: None\n POWER_T02 = A0 * TEMPOT300**B0\n RETURN\n END FUNCTION POWER_T02\n REAL( 8 ) FUNCTION ARRHENUIS_T04( INV_TEMP,TEMPOT300,A0,B0,C0 )\n IMPLICIT NONE\n! rate constant for CMAQ Arrhenuis reaction type 4\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: INV_TEMP\n REAL( 8 ), INTENT( IN ) :: TEMPOT300\n REAL( 8 ), INTENT( IN ) :: A0\n REAL( 8 ), INTENT( IN ) :: B0\n REAL( 8 ), INTENT( IN ) :: C0\n ! Local:\n INTRINSIC DEXP\n ARRHENUIS_T04 = A0 * DEXP( B0 * INV_TEMP ) * TEMPOT300**C0\n RETURN\n END FUNCTION ARRHENUIS_T04\n REAL( 8 ) FUNCTION ARRHENUIS_T03( INV_TEMP,A0,B0 )\n! rate constant for CMAQ Arrhenuis reaction type 3\n IMPLICIT NONE\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: INV_TEMP\n REAL( 8 ), INTENT(IN) :: A0\n REAL( 8 ), INTENT(IN) :: B0\n ! Local:\n INTRINSIC DEXP\n ARRHENUIS_T03 = A0 * DEXP( B0 * INV_TEMP )\n RETURN\n END FUNCTION ARRHENUIS_T03 \n REAL( 8 ) FUNCTION FALLOFF_T08(INV_TEMP,CAIR,A0,C0,A2,C2,A3,C3)\n! rate constant for CMAQ fall off reaction type 8\n IMPLICIT NONE\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: INV_TEMP\n REAL( 8 ), INTENT( IN ) :: CAIR\n REAL( 8 ), INTENT( IN ) :: A0\n REAL( 8 ), INTENT( IN ) :: C0\n REAL( 8 ), INTENT( IN ) :: A2\n REAL( 8 ), INTENT( IN ) :: C2\n REAL( 8 ), INTENT( IN ) :: A3\n REAL( 8 ), INTENT( IN ) :: C3\n ! Local:\n REAL( 8 ) K0\n REAL( 8 ) K2\n REAL( 8 ) K3\n INTRINSIC DEXP\n K0 = A0 * DEXP( C0 * INV_TEMP )\n K2 = A2 * DEXP( C2 * INV_TEMP )\n K3 = A3 * DEXP( C3 * INV_TEMP )\n K3 = K3 * CAIR\n FALLOFF_T08 = K0 + K3/( 1.0D0 + K3/K2 )\n RETURN\n END FUNCTION FALLOFF_T08\n REAL( 8 ) FUNCTION FALLOFF_T09(INV_TEMP,CAIR,A1,C1,A2,C2)\n! rate constant for CMAQ fall off reaction type 9\n IMPLICIT NONE\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: INV_TEMP\n REAL( 8 ), INTENT( IN ) :: CAIR\n REAL( 8 ), INTENT( IN ) :: A1\n REAL( 8 ), INTENT( IN ) :: C1\n REAL( 8 ), INTENT( IN ) :: A2\n REAL( 8 ), INTENT( IN ) :: C2\n ! Local:\n REAL( 8 ) K1\n REAL( 8 ) K2\n INTRINSIC DEXP\n K1 = A1 * DEXP( C1 * INV_TEMP )\n K2 = A2 * DEXP( C2 * INV_TEMP )\n FALLOFF_T09 = K1 + K2 * CAIR\n RETURN\n END FUNCTION FALLOFF_T09\n REAL( 8 ) FUNCTION FALLOFF_T10(INV_TEMP,TEMPOT300,CAIR,A0,B0,C0,A1,B1,C1,CE,CF)\n IMPLICIT NONE\n! rate constant for CMAQ fall off reaction type 10\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: INV_TEMP\n REAL( 8 ), INTENT( IN ) :: TEMPOT300\n REAL( 8 ), INTENT( IN ) :: CAIR\n REAL( 8 ), INTENT( IN ) :: A0\n REAL( 8 ), INTENT( IN ) :: B0\n REAL( 8 ), INTENT( IN ) :: C0\n REAL( 8 ), INTENT( IN ) :: A1\n REAL( 8 ), INTENT( IN ) :: B1\n REAL( 8 ), INTENT( IN ) :: C1\n REAL( 8 ), INTENT( IN ) :: CE\n REAL( 8 ), INTENT( IN ) :: CF\n ! Local:\n REAL( 8 ) K0\n REAL( 8 ) K1\n REAL( 8 ) KEND\n K0 = A0 * CAIR * DEXP(B0*INV_TEMP)* TEMPOT300**C0\n K1 = A1 * DEXP(B1*INV_TEMP) * TEMPOT300**C1\n KEND = ( ( 1.0D0 + ( ( 1.0D0 / CE ) * DLOG10( K0 / K1 ) ) ** 2.0D0 ) )\n KEND = 1.0D0 / KEND\n FALLOFF_T10 = ( K0 / ( 1.0D0 + K0/K1 ) ) * CF ** KEND\n RETURN\n END FUNCTION FALLOFF_T10\n REAL( 8 ) FUNCTION FALLOFF_T11(INV_TEMP,TEMPOT300,CAIR,A1,B1,C1,A2, B2, C2, D1, D2)\n! rate constant for CMAQ fall off reaction type 11\n! actually expanded form of type 9\n IMPLICIT NONE\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: INV_TEMP\n REAL( 8 ), INTENT( IN ) :: TEMPOT300\n REAL( 8 ), INTENT( IN ) :: CAIR\n REAL( 8 ), INTENT( IN ) :: A1\n REAL( 8 ), INTENT( IN ) :: B1\n REAL( 8 ), INTENT( IN ) :: C1\n REAL( 8 ), INTENT( IN ) :: A2\n REAL( 8 ), INTENT( IN ) :: B2\n REAL( 8 ), INTENT( IN ) :: C2\n REAL( 8 ), INTENT( IN ) :: D1\n REAL( 8 ), INTENT( IN ) :: D2\n ! Local:\n REAL( 8 ) K1\n REAL( 8 ) K2\n REAL( 8 ) K3\n INTRINSIC DEXP\n K1 = A1 * DEXP( C1 * INV_TEMP ) * TEMPOT300**B1\n K2 = A2 * DEXP( C2 * INV_TEMP ) * TEMPOT300**B2\n K3 = D1 * DEXP( D2 * INV_TEMP )\n FALLOFF_T11 = K1 + K2 * CAIR + K3\n RETURN\n END FUNCTION FALLOFF_T11\n REAL( 8 ) FUNCTION HALOGEN_FALLOFF(PRESS,A1,B1,A2,B2,A3)\n IMPLICIT NONE\n REAL( 8 ), INTENT( IN ) :: PRESS\n REAL( 8 ), INTENT( IN ) :: A1\n REAL( 8 ), INTENT( IN ) :: B1\n REAL( 8 ), INTENT( IN ) :: A2\n REAL( 8 ), INTENT( IN ) :: B2\n REAL( 8 ), INTENT( IN ) :: A3 ! Maximum loss rate (1/sec)\n INTRINSIC DEXP\n HALOGEN_FALLOFF = A1 * DEXP( B1 * PRESS ) + A2 * DEXP( B2 * PRESS )\n HALOGEN_FALLOFF = DMIN1 (A3, HALOGEN_FALLOFF )\n RETURN\n END FUNCTION HALOGEN_FALLOFF\n\n SUBROUTINE SPECIAL_RATES( NUMCELLS, Y, TEMP, DENS, RKI )\n! Purpose: calculate special rate operators and update\n! appropriate rate constants\n\n USE RXNS_DATA\n IMPLICIT NONE\n\n! Arguments:\n INTEGER, INTENT( IN ) :: NUMCELLS ! Number of cells in block \n REAL( 8 ), INTENT( IN ) :: Y( :, : ) ! species concs\n REAL( 8 ), INTENT( IN ) :: TEMP( : ) ! air temperature, K \n REAL( 8 ), INTENT( IN ) :: DENS( : ) ! air density, Kg/m3\n REAL( 8 ), INTENT( INOUT ) :: RKI( :, : ) ! reaction rate constant, ppm/min \n! Local:\n REAL( 8 ), PARAMETER :: DENSITY_TO_NUMBER = 2.07930D+19 ! Kg/m3 to molecules/cm3\n\n INTEGER :: NCELL\n REAL( 8 ) :: INV_TEMP\n REAL( 8 ) :: CAIR\n REAL( 8 ) :: CFACT ! scales operator if not multiplied by RKI, cm^3/(molecule) to 1/(ppm)\n REAL( 8 ) :: CFACT_SQU ! scales operator if not multiplied by RKI, cm^6/(molec^2) to 1/(ppm^2)\n! special rate operators listed below\n\n\n\n DO NCELL = 1, NUMCELLS\n INV_TEMP = 1.0D0 / TEMP( NCELL )\n CAIR = DENSITY_TO_NUMBER * DENS( NCELL )\n CFACT = 1.0D-06 * CAIR\n CFACT_SQU = 1.0D-12 * CAIR * CAIR\n\n\n! define special rate operators\n\n\n! define rate constants in terms of special rate operators \n\n END DO\n\n RETURN\n END SUBROUTINE SPECIAL_RATES\n \n SUBROUTINE CALC_RCONST( BLKTEMP, BLKPRES, BLKH2O, RJBLK, BLKHET, LSUNLIGHT, SEAWATER, RKI, NUMCELLS )\n\n!**********************************************************************\n\n! Function: To compute thermal and photolytic reaction rate\n! coefficients for each reaction.\n\n! Preconditions: Photolysis rates for individual species must have\n! been calculated and stored in RJPHOT. Expects\n! temperature in deg K, pressure in atm., water\n! vapor in ppmV, and J-values in /min.\n! Key Subroutines/Functions Called: POWER_02, ARRHRENUIS_T0*, FALLOFF_T*, HALOGEN_FALLOFF \n!***********************************************************************\n\n\n\n\n USE RXNS_DATA\n\n IMPLICIT NONE \n\n! Arguements: None \n\n REAL( 8 ), INTENT( IN ) :: BLKTEMP( : ) ! temperature, deg K \n REAL( 8 ), INTENT( IN ) :: BLKPRES( : ) ! pressure, Atm\n REAL( 8 ), INTENT( IN ) :: BLKH2O ( : ) ! water mixing ratio, ppm \n REAL( 8 ), INTENT( IN ) :: RJBLK ( :, : ) ! photolysis rates, 1/min \n REAL( 8 ), INTENT( IN ) :: BLKHET ( :, : ) ! heterogeneous rate constants, ???/min\n INTEGER, INTENT( IN ) :: NUMCELLS ! Number of cells in block \n LOGICAL, INTENT( IN ) :: LSUNLIGHT ! Is there sunlight? \n REAL( 8 ), INTENT( IN ) :: SEAWATER( : ) ! fractional area of OPEN+SURF \n REAL( 8 ), INTENT( OUT ) :: RKI ( :, : ) ! reaction rate constant, ppm/min \n!..Parameters: \n\n REAL( 8 ), PARAMETER :: COEF1 = 7.33981D+15 ! Molec/cc to ppm conv factor \n REAL( 8 ), PARAMETER :: CONSTC = 0.6D+0 ! Constant for reaction type 7\n REAL( 8 ), PARAMETER :: TI300 = 1.0D+0/300.0D+0 ! reciprocal of 300 deg K\n REAL( 8 ), PARAMETER :: SFACT = 60.D+0 ! seconds per minute \n!..External Functions: None\n\n!..Local Variables:\n\n INTEGER :: NRT ! Loop index for reaction types \n INTEGER :: IRXN ! Reaction number\n INTEGER :: JNUM ! J-value species # from PHOT)\n INTEGER :: KNUM ! Reaction # for a relative rate coeff.\n INTEGER :: N ! Loop index for reactions\n INTEGER :: NCELL ! Loop index for # of cells in the block\n REAL( 8 ) :: CAIR ! air number density (wet) [molec/cm^3]\n REAL( 8 ) :: CFACT ! Convertor cm^3/(molec*sec) to 1/(ppm*min)\n REAL( 8 ) :: CFACT_SQU ! Convertor cm^6/(molec^2*sec) to 1/(ppm^2*min)\n REAL( 8 ) :: INV_CFACT ! ppm/min to molec/(cm^3*sec)\n REAL( 8 ) :: TEMPOT300 ! temperature divided by 300 K, dimensionaless \n REAL( 8 ) :: INV_TEMP ! reciprocal of air temperature, K-1\n REAL( 8 ) :: INV_CAIR ! reciprocal of air number density (wet), [cm^3/molec]\n REAL( 8 ) :: TEMP ! air temperature, K\n REAL( 8 ) :: PRESS ! pressure [Atm] \n REAL( 8 ) :: INV_RFACT ! ppm/min to molec/(cm^3*min)\n REAL( 8 ) :: RFACT_SQU ! cm^6/(molec^2*min) to 1/(ppm^2*min)\n REAL( 8 ) :: RFACT ! cm^3/(molec*min) to 1/(ppm*min)\n REAL( 8 ) :: H2O ! concentration, [molec/cm^3] \n\n RKI = 0.0D0 \n\n! All rate constants converted from molec/cm3 to ppm\n! and 1/sec to 1/min\n\n IF( LSUNLIGHT )THEN \n DO NCELL = 1, NUMCELLS \n\n! Reaction Label R1 \n RKI( NCELL, 1) = RJBLK( NCELL, IJ_NO2_IUPAC10 )\n! Reaction Label R8 \n RKI( NCELL, 8) = RJBLK( NCELL, IJ_O3_O3P_IUPAC10 )\n! Reaction Label R9 \n RKI( NCELL, 9) = RJBLK( NCELL, IJ_O3_O1D_IUPAC10 )\n! Reaction Label R21 \n RKI( NCELL, 21) = RJBLK( NCELL, IJ_H2O2_IUPAC10 )\n! Reaction Label R27 \n RKI( NCELL, 27) = RJBLK( NCELL, IJ_NO3NO2_06 )\n! Reaction Label R28 \n RKI( NCELL, 28) = RJBLK( NCELL, IJ_NO3NO_06 )\n! Reaction Label R38 \n RKI( NCELL, 38) = RJBLK( NCELL, IJ_N2O5_IUPAC10 )\n! Reaction Label R43 \n RKI( NCELL, 43) = RJBLK( NCELL, IJ_HONO_IUPAC10 )\n! Reaction Label R47 \n RKI( NCELL, 47) = RJBLK( NCELL, IJ_HNO3_IUPAC10 )\n! Reaction Label R50 \n RKI( NCELL, 50) = RJBLK( NCELL, IJ_PNA_IUPAC10 )\n! Reaction Label R56 \n RKI( NCELL, 56) = RJBLK( NCELL, IJ_PAN_IUPAC10 )\n! Reaction Label R64 \n RKI( NCELL, 64) = RJBLK( NCELL, IJ_PAN_IUPAC10 )\n! Reaction Label R88 \n RKI( NCELL, 88) = RJBLK( NCELL, IJ_MEPX_IUPAC10 )\n! Reaction Label R90 \n RKI( NCELL, 90) = RJBLK( NCELL, IJ_MEPX_IUPAC10 )\n! Reaction Label R92 \n RKI( NCELL, 92) = RJBLK( NCELL, IJ_NTR_IUPAC10 )\n! Reaction Label R97 \n RKI( NCELL, 97) = RJBLK( NCELL, IJ_FORM_R_IUPAC13 )\n! Reaction Label R98 \n RKI( NCELL, 98) = RJBLK( NCELL, IJ_FORM_M_IUPAC13 )\n! Reaction Label R108 \n RKI( NCELL, 108) = RJBLK( NCELL, IJ_ALD2_R_IUPAC13 )\n! Reaction Label R112 \n RKI( NCELL, 112) = RJBLK( NCELL, IJ_ALDX_R_IUPAC13 )\n! Reaction Label R114 \n RKI( NCELL, 114) = RJBLK( NCELL, IJ_GLYD_IUPAC13 )\n! Reaction Label R117 \n RKI( NCELL, 117) = RJBLK( NCELL, IJ_GLY_R_IUPAC13 )\n! Reaction Label R119 \n RKI( NCELL, 119) = RJBLK( NCELL, IJ_MGLY_IUPAC10 )\n! Reaction Label R128 \n RKI( NCELL, 128) = RJBLK( NCELL, IJ_KET_IUPAC10 )\n! Reaction Label R129 \n RKI( NCELL, 129) = RJBLK( NCELL, IJ_ACET_IUPAC10 )\n! Reaction Label R161 \n RKI( NCELL, 161) = RJBLK( NCELL, IJ_ISPD )\n! Reaction Label R163 \n RKI( NCELL, 163) = RJBLK( NCELL, IJ_HPALD )\n! Reaction Label R196 \n RKI( NCELL, 201) = RJBLK( NCELL, IJ_NTR_IUPAC10 )\n! Reaction Label R197 \n RKI( NCELL, 202) = 5.0000D-02 * RJBLK( NCELL, IJ_NO2_IUPAC10 )\n! Reaction Label R201 \n RKI( NCELL, 206) = 2.8000D-02 * RJBLK( NCELL, IJ_NO2_IUPAC10 )\n! Reaction Label CL1 \n RKI( NCELL, 226) = RJBLK( NCELL, IJ_CL2_IUPAC04 )\n! Reaction Label CL2 \n RKI( NCELL, 227) = RJBLK( NCELL, IJ_HOCL_IUPAC04 )\n! Reaction Label CL9 \n RKI( NCELL, 234) = RJBLK( NCELL, IJ_FMCL_IUPAC04 )\n! Reaction Label CL27 \n RKI( NCELL, 252) = RJBLK( NCELL, IJ_CLNO2_IUPAC13 )\n! Reaction Label CL30 \n RKI( NCELL, 254) = RJBLK( NCELL, IJ_CLONO2_1 )\n! Reaction Label CL31 \n RKI( NCELL, 255) = RJBLK( NCELL, IJ_CLONO2_2 )\n! Reaction Label BP71mtp \n RKI( NCELL, 291) = RJBLK( NCELL, IJ_IC3ONO2 )\n! Reaction Label T04 \n RKI( NCELL, 317) = RJBLK( NCELL, IJ_FORM_R_IUPAC13 )\n! Reaction Label T05 \n RKI( NCELL, 318) = RJBLK( NCELL, IJ_FORM_M_IUPAC13 )\n! Reaction Label T09 \n RKI( NCELL, 323) = RJBLK( NCELL, IJ_ALD2_R_IUPAC13 )\n! Reaction Label T16 \n RKI( NCELL, 332) = RJBLK( NCELL, IJ_ACRO_09 )\n! Reaction Label T20 \n RKI( NCELL, 337) = RJBLK( NCELL, IJ_ACRO_09 )\n\n IF ( SEAWATER (NCELL) .GT. 0.001D0 ) THEN\n! Reaction Label HAL_Ozone \n RKI( NCELL, 279) = SEAWATER (NCELL) * SFACT * HALOGEN_FALLOFF( BLKPRES( NCELL ), 6.7006D-11, 1.0743D+01, & \n & 3.4153D-08, -6.7130D-01, 2.0000D-06 )\n ELSE\n RKI( NCELL, 279) = 0.0D0 \n END IF\n\n END DO \n END IF \n\n DO NCELL = 1, NUMCELLS \n! Set-up conversion factors \n INV_TEMP = 1.0D+00 / BLKTEMP( NCELL ) \n CAIR = 1.0D+06 * COEF1 * BLKPRES( NCELL ) * INV_TEMP \n CFACT = 6.0D-05 * CAIR\n CFACT_SQU = 6.0D-11 * CAIR * CAIR \n INV_CAIR = 1.0D0 / CAIR \n INV_CFACT = 6.0D+07 * INV_CAIR \n TEMP = BLKTEMP( NCELL ) \n TEMPOT300 = BLKTEMP( NCELL ) * TI300 \n RFACT = 1.0D+06 * INV_CAIR \n RFACT_SQU = 1.0D+12 * INV_CAIR * INV_CAIR \n\n! Reaction Label R2 \n RKI( NCELL, 2) = CFACT_SQU * POWER_T02( TEMPOT300, 6.0000D-34, -2.6000D+00 )\n! Reaction Label R3 \n RKI( NCELL, 3) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.0700D-12, -1.4000D+03 )\n! Reaction Label R4 \n RKI( NCELL, 4) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 1.0000D-31, 0.0000D+00, -1.6000D+00, & \n & 5.0000D-11, 0.0000D+00, 3.0000D-01, & \n & 8.4000D-01, 8.5000D-01 )\n! Reaction Label R5 \n RKI( NCELL, 5) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.1000D-12, 1.9800D+02 )\n! Reaction Label R6 \n RKI( NCELL, 6) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 1.3000D-31, 0.0000D+00, -1.5000D+00, & \n & 2.3000D-11, 0.0000D+00, 2.4000D-01, & \n & 1.0300D+00, 6.0000D-01 )\n! Reaction Label R7 \n RKI( NCELL, 7) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.0000D-12, -2.0600D+03 )\n! Reaction Label R10 \n RKI( NCELL, 10) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.2300D-11, 1.1500D+02 )\n! Reaction Label R11 \n RKI( NCELL, 11) = 2.1400D-10 * CFACT \n! Reaction Label R12 \n RKI( NCELL, 12) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.7000D-12, -9.4000D+02 )\n! Reaction Label R13 \n RKI( NCELL, 13) = CFACT * ARRHENUIS_T04( INV_TEMP, TEMPOT300, & \n & 2.0300D-16, 6.9300D+02, 4.5700D+00 )\n! Reaction Label R14 \n RKI( NCELL, 14) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.4000D-11, 1.1000D+02 )\n! Reaction Label R15 \n RKI( NCELL, 15) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.0000D-11, 2.0000D+02 )\n! Reaction Label R16 \n RKI( NCELL, 16) = CFACT * ARRHENUIS_T04( INV_TEMP, TEMPOT300, & \n & 6.2000D-14, 9.4500D+02, 2.6000D+00 )\n! Reaction Label R17 \n RKI( NCELL, 17) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 9.0000D-31, 0.0000D+00, -3.2000D+00, & \n & 3.9000D-11, 0.0000D+00, -4.7000D-01, & \n & 1.2300D+00, 4.2000D-01 )\n! Reaction Label R18 \n RKI( NCELL, 18) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.8000D-11, 2.5000D+02 )\n! Reaction Label R19 \n RKI( NCELL, 19) = CFACT * FALLOFF_T09( INV_TEMP, CAIR, & \n & 2.2000D-13, 6.0000D+02, 1.9000D-33, & \n & 9.8000D+02 )\n! Reaction Label R20 \n RKI( NCELL, 20) = CFACT_SQU * FALLOFF_T09( INV_TEMP, CAIR, & \n & 3.0800D-34, 2.8000D+03, 2.6600D-54, & \n & 3.1800D+03 )\n! Reaction Label R22 \n RKI( NCELL, 22) = 1.8000D-12 * CFACT \n! Reaction Label R23 \n RKI( NCELL, 23) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.4000D-12, -2.0000D+03 )\n! Reaction Label R24 \n RKI( NCELL, 24) = CFACT_SQU * ARRHENUIS_T03( INV_TEMP, 4.2500D-39, 6.6400D+02 )\n! Reaction Label R25 \n RKI( NCELL, 25) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.4500D-12, 2.7000D+02 )\n! Reaction Label R26 \n RKI( NCELL, 26) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.4000D-13, -2.4700D+03 )\n! Reaction Label R29 \n RKI( NCELL, 29) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.8000D-11, 1.1000D+02 )\n! Reaction Label R30 \n RKI( NCELL, 30) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.5000D-14, -1.2600D+03 )\n! Reaction Label R31 \n RKI( NCELL, 31) = 1.7000D-11 * CFACT \n! Reaction Label R32 \n RKI( NCELL, 32) = 2.0000D-11 * CFACT \n! Reaction Label R33 \n RKI( NCELL, 33) = 4.0000D-12 * CFACT \n! Reaction Label R34 \n RKI( NCELL, 34) = 1.0000D-17 * CFACT \n! Reaction Label R35 \n RKI( NCELL, 35) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.5000D-13, -2.4500D+03 )\n! Reaction Label R36 \n RKI( NCELL, 36) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 3.6000D-30, 0.0000D+00, -4.1000D+00, & \n & 1.9000D-12, 0.0000D+00, 2.0000D-01, & \n & 1.3300D+00, 3.5000D-01 )\n! Reaction Label R37 \n RKI( NCELL, 37) = SFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 1.3000D-03, -1.1000D+04, -3.5000D+00, & \n & 9.7000D+14, -1.1080D+04, 1.0000D-01, & \n & 1.3300D+00, 3.5000D-01 )\n! Reaction Label R39 \n RKI( NCELL, 39) = 1.0000D-22 * CFACT \n! Reaction Label R40 \n RKI( NCELL, 40) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 7.4000D-31, 0.0000D+00, -2.4000D+00, & \n & 3.3000D-11, 0.0000D+00, -3.0000D-01, & \n & 8.7000D-01, 8.1000D-01 )\n! Reaction Label R41 \n RKI( NCELL, 41) = 5.0000D-40 * CFACT_SQU \n! Reaction Label R42 \n RKI( NCELL, 42) = 1.0000D-20 * CFACT \n! Reaction Label R44 \n RKI( NCELL, 44) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.5000D-12, 2.6000D+02 )\n! Reaction Label R45 \n RKI( NCELL, 45) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 1.8000D-30, 0.0000D+00, -3.0000D+00, & \n & 2.8000D-11, 0.0000D+00, 0.0000D+00, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label R46 \n RKI( NCELL, 46) = CFACT * FALLOFF_T08( INV_TEMP, CAIR, & \n & 2.4000D-14, 4.6000D+02, 2.7000D-17, & \n & 2.1990D+03, 6.5000D-34, 1.3350D+03 )\n! Reaction Label R48 \n RKI( NCELL, 48) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 1.4000D-31, 0.0000D+00, -3.1000D+00, & \n & 4.0000D-12, 0.0000D+00, 0.0000D+00, & \n & 1.2600D+00, 4.0000D-01 )\n! Reaction Label R49 \n RKI( NCELL, 49) = SFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 4.1000D-05, -1.0650D+04, 0.0000D+00, & \n & 6.0000D+15, -1.1170D+04, 0.0000D+00, & \n & 1.2600D+00, 4.0000D-01 )\n! Reaction Label R51 \n RKI( NCELL, 51) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.2000D-13, 6.9000D+02 )\n! Reaction Label R52 \n RKI( NCELL, 52) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 2.8000D-31, 0.0000D+00, -2.6000D+00, & \n & 2.0000D-12, 0.0000D+00, 0.0000D+00, & \n & 1.1000D+00, 5.3000D-01 )\n! Reaction Label R53 \n RKI( NCELL, 53) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.5000D-12, 2.9000D+02 )\n! Reaction Label R54 \n RKI( NCELL, 54) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 3.6100D-28, 0.0000D+00, -6.8700D+00, & \n & 1.2400D-11, 0.0000D+00, -1.1050D+00, & \n & 1.4100D+00, 3.0000D-01 )\n! Reaction Label R55 \n RKI( NCELL, 55) = SFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 1.1000D-05, -1.0100D+04, 0.0000D+00, & \n & 1.9000D+17, -1.4100D+04, 0.0000D+00, & \n & 1.4100D+00, 3.0000D-01 )\n! Reaction Label R57 \n RKI( NCELL, 57) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.1400D-12, 5.8000D+02 )\n! Reaction Label R58 \n RKI( NCELL, 58) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.4000D-13, 1.0700D+03 )\n! Reaction Label R59 \n RKI( NCELL, 59) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9000D-12, 5.0000D+02 )\n! Reaction Label R60 \n RKI( NCELL, 60) = RKI( NCELL, 59 ) \n! Reaction Label R61 \n RKI( NCELL, 61) = CFACT * ARRHENUIS_T03( INV_TEMP, 6.7000D-12, 3.4000D+02 )\n! Reaction Label R62 \n RKI( NCELL, 62) = 8.4000D-01 * RKI( NCELL, 54 ) \n! Reaction Label R63 \n RKI( NCELL, 63) = 8.4000D-01 * RKI( NCELL, 55 ) \n! Reaction Label R65 \n RKI( NCELL, 65) = RKI( NCELL, 57 ) \n! Reaction Label R66 \n RKI( NCELL, 66) = RKI( NCELL, 58 ) \n! Reaction Label R67 \n RKI( NCELL, 67) = RKI( NCELL, 59 ) \n! Reaction Label R68 \n RKI( NCELL, 68) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.4000D-12, 3.6000D+02 )\n! Reaction Label R69 \n RKI( NCELL, 69) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.8000D-13, 8.0000D+02 )\n! Reaction Label R70 \n RKI( NCELL, 70) = CFACT * ARRHENUIS_T03( INV_TEMP, 6.5000D-14, 5.0000D+02 )\n! Reaction Label R71 \n RKI( NCELL, 71) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.3000D-12, 3.6000D+02 )\n! Reaction Label R72 \n RKI( NCELL, 72) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.8000D-13, 7.8000D+02 )\n! Reaction Label R73 \n RKI( NCELL, 73) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.0000D-12, 5.0000D+02 )\n! Reaction Label R74 \n RKI( NCELL, 74) = RKI( NCELL, 70 ) \n! Reaction Label R75 \n RKI( NCELL, 75) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label R76 \n RKI( NCELL, 76) = CFACT * ARRHENUIS_T03( INV_TEMP, 6.8000D-13, 8.0000D+02 )\n! Reaction Label R77 \n RKI( NCELL, 77) = RKI( NCELL, 58 ) \n! Reaction Label R78 \n RKI( NCELL, 78) = RKI( NCELL, 70 ) \n! Reaction Label R79 \n RKI( NCELL, 79) = RKI( NCELL, 75 ) \n! Reaction Label R80 \n RKI( NCELL, 80) = RKI( NCELL, 76 ) \n! Reaction Label R81 \n RKI( NCELL, 81) = RKI( NCELL, 58 ) \n! Reaction Label R82 \n RKI( NCELL, 82) = RKI( NCELL, 70 ) \n! Reaction Label R83 \n RKI( NCELL, 83) = RKI( NCELL, 75 ) \n! Reaction Label R84 \n RKI( NCELL, 84) = RKI( NCELL, 76 ) \n! Reaction Label R85 \n RKI( NCELL, 85) = RKI( NCELL, 58 ) \n! Reaction Label R86 \n RKI( NCELL, 86) = RKI( NCELL, 70 ) \n! Reaction Label R87 \n RKI( NCELL, 87) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.3000D-12, 1.9000D+02 )\n! Reaction Label R89 \n RKI( NCELL, 89) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.3000D-12, 1.9000D+02 )\n! Reaction Label R91 \n RKI( NCELL, 91) = 2.0000D-12 * CFACT \n! Reaction Label R93 \n RKI( NCELL, 93) = 4.5000D-13 * CFACT \n! Reaction Label R94 \n RKI( NCELL, 94) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.0000D-14, 8.5000D+02 )\n! Reaction Label R95 \n RKI( NCELL, 95) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.3000D-12, 1.9000D+02 )\n! Reaction Label R96 \n RKI( NCELL, 96) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.4000D-12, 1.3500D+02 )\n! Reaction Label R99 \n RKI( NCELL, 99) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.4000D-11, -1.6000D+03 )\n! Reaction Label R100 \n RKI( NCELL, 100) = 5.5000D-16 * CFACT \n! Reaction Label R101 \n RKI( NCELL, 101) = CFACT * ARRHENUIS_T03( INV_TEMP, 9.7000D-15, 6.2500D+02 )\n! Reaction Label R102 \n RKI( NCELL, 102) = SFACT * ARRHENUIS_T03( INV_TEMP, 2.4000D+12, -7.0000D+03 )\n! Reaction Label R103 \n RKI( NCELL, 103) = 5.6000D-12 * CFACT \n! Reaction Label R104 \n RKI( NCELL, 104) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.6000D-15, 2.3000D+03 )\n! Reaction Label R105 \n RKI( NCELL, 105) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.8000D-11, -1.1000D+03 )\n! Reaction Label R106 \n RKI( NCELL, 106) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.7000D-12, 3.4500D+02 )\n! Reaction Label R107 \n RKI( NCELL, 107) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.4000D-12, -1.8600D+03 )\n! Reaction Label R109 \n RKI( NCELL, 109) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.3000D-11, -8.7000D+02 )\n! Reaction Label R110 \n RKI( NCELL, 110) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.9000D-12, 4.0500D+02 )\n! Reaction Label R111 \n RKI( NCELL, 111) = 6.3000D-15 * CFACT \n! Reaction Label R113 \n RKI( NCELL, 113) = 8.0000D-12 * CFACT \n! Reaction Label R115 \n RKI( NCELL, 115) = RKI( NCELL, 107 ) \n! Reaction Label R116 \n RKI( NCELL, 116) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.1000D-12, 3.4000D+02 )\n! Reaction Label R118 \n RKI( NCELL, 118) = 4.0000D-16 * CFACT \n! Reaction Label R120 \n RKI( NCELL, 120) = 5.0000D-16 * CFACT \n! Reaction Label R121 \n RKI( NCELL, 121) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.9000D-12, 5.7500D+02 )\n! Reaction Label R122 \n RKI( NCELL, 122) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.7000D-12, -2.1000D+03 )\n! Reaction Label R123 \n RKI( NCELL, 123) = CFACT * FALLOFF_T09( INV_TEMP, CAIR, & \n & 1.4400D-13, 0.0000D+00, 3.4300D-33, & \n & 0.0000D+00 )\n! Reaction Label R124 \n RKI( NCELL, 124) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.8500D-12, -1.6900D+03 )\n! Reaction Label R125 \n RKI( NCELL, 125) = CFACT * ARRHENUIS_T03( INV_TEMP, 6.9000D-12, -1.0000D+03 )\n! Reaction Label R126 \n RKI( NCELL, 126) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.8500D-12, -3.4500D+02 )\n! Reaction Label R127 \n RKI( NCELL, 127) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.0000D-12, 2.0000D+01 )\n! Reaction Label R130 \n RKI( NCELL, 130) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.4100D-12, -6.2060D+02 )\n! Reaction Label R131 \n RKI( NCELL, 131) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.6000D-12, -5.8500D+02 )\n! Reaction Label R132 \n RKI( NCELL, 132) = 8.1000D-13 * CFACT \n! Reaction Label R133 \n RKI( NCELL, 133) = SFACT * ARRHENUIS_T03( INV_TEMP, 5.7000D+12, -5.7800D+03 )\n! Reaction Label R134 \n RKI( NCELL, 134) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.5000D-14, -2.0000D+02 )\n! Reaction Label R135 \n RKI( NCELL, 135) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.6000D-12, 4.0000D+02 )\n! Reaction Label R136 \n RKI( NCELL, 136) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 5.0000D-30, 0.0000D+00, -1.5000D+00, & \n & 1.0000D-12, 0.0000D+00, 0.0000D+00, & \n & 1.3000D+00, 3.7000D-01 )\n! Reaction Label R137 \n RKI( NCELL, 137) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.0400D-11, -7.9200D+02 )\n! Reaction Label R138 \n RKI( NCELL, 138) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 8.6000D-29, 0.0000D+00, -3.1000D+00, & \n & 9.0000D-12, 0.0000D+00, -8.5000D-01, & \n & 1.1500D+00, 4.8000D-01 )\n! Reaction Label R139 \n RKI( NCELL, 139) = CFACT * ARRHENUIS_T03( INV_TEMP, 6.8200D-15, -2.5000D+03 )\n! Reaction Label R140 \n RKI( NCELL, 140) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.3000D-12, -2.8800D+03 )\n! Reaction Label R141 \n RKI( NCELL, 141) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.0000D-11, -2.8000D+02 )\n! Reaction Label R142 \n RKI( NCELL, 142) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 8.0000D-27, 0.0000D+00, -3.5000D+00, & \n & 3.0000D-11, 0.0000D+00, -1.0000D+00, & \n & 1.1300D+00, 5.0000D-01 )\n! Reaction Label R143 \n RKI( NCELL, 143) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.5000D-15, -1.8800D+03 )\n! Reaction Label R144 \n RKI( NCELL, 144) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.6000D-13, -1.1550D+03 )\n! Reaction Label R145 \n RKI( NCELL, 145) = 2.3000D-11 * CFACT \n! Reaction Label R146 \n RKI( NCELL, 146) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.0500D-11, 5.1900D+02 )\n! Reaction Label R147 \n RKI( NCELL, 147) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.7000D-15, -1.0130D+03 )\n! Reaction Label R148 \n RKI( NCELL, 148) = 3.7000D-13 * CFACT \n! Reaction Label R149 \n RKI( NCELL, 149) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-11, 3.9000D+02 )\n! Reaction Label R150 \n RKI( NCELL, 150) = 3.0000D-11 * CFACT \n! Reaction Label R151 \n RKI( NCELL, 151) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.3900D-12, 3.6500D+02 )\n! Reaction Label R152 \n RKI( NCELL, 152) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4300D-13, 7.0000D+02 )\n! Reaction Label R153 \n RKI( NCELL, 153) = RKI( NCELL, 58 ) \n! Reaction Label R154 \n RKI( NCELL, 154) = RKI( NCELL, 70 ) \n! Reaction Label R155 \n RKI( NCELL, 155) = SFACT * ARRHENUIS_T03( INV_TEMP, 3.3000D+09, -8.3000D+03 )\n! Reaction Label R156 \n RKI( NCELL, 156) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.0300D-14, -1.9950D+03 )\n! Reaction Label R157 \n RKI( NCELL, 157) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.0300D-12, -4.4800D+02 )\n! Reaction Label R158 \n RKI( NCELL, 158) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.5800D-12, 5.1100D+02 )\n! Reaction Label R159 \n RKI( NCELL, 159) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.8800D-15, -1.7700D+03 )\n! Reaction Label R160 \n RKI( NCELL, 160) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.1000D-12, -1.8600D+03 )\n! Reaction Label R162 \n RKI( NCELL, 162) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.2300D-11, 3.7200D+02 )\n! Reaction Label R164 \n RKI( NCELL, 164) = CFACT * ARRHENUIS_T03( INV_TEMP, 6.0000D-12, -1.8600D+03 )\n! Reaction Label R165 \n RKI( NCELL, 165) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.7800D-11, -4.0000D+02 )\n! Reaction Label R166 \n RKI( NCELL, 166) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4300D-13, 7.0000D+02 )\n! Reaction Label R167 \n RKI( NCELL, 167) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.3900D-12, 3.6500D+02 )\n! Reaction Label R168 \n RKI( NCELL, 168) = RKI( NCELL, 58 ) \n! Reaction Label R169 \n RKI( NCELL, 169) = RKI( NCELL, 70 ) \n! Reaction Label R170 \n RKI( NCELL, 170) = 3.1000D-11 * CFACT \n! Reaction Label R171 \n RKI( NCELL, 171) = 3.6000D-11 * CFACT \n! Reaction Label R172 \n RKI( NCELL, 172) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.5000D-11, 4.4900D+02 )\n! Reaction Label R173 \n RKI( NCELL, 173) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.2000D-15, -8.2100D+02 )\n! Reaction Label R174 \n RKI( NCELL, 174) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.7000D-12, 1.7500D+02 )\n! Reaction Label R171a \n RKI( NCELL, 175) = 3.6000D-11 * CFACT \n! Reaction Label R172a \n RKI( NCELL, 176) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.5000D-11, 4.4900D+02 )\n! Reaction Label R173a \n RKI( NCELL, 177) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.2000D-15, -8.2100D+02 )\n! Reaction Label R174a \n RKI( NCELL, 178) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.7000D-12, 1.7500D+02 )\n! Reaction Label R175 \n RKI( NCELL, 179) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.3000D-12, -1.9000D+02 )\n! Reaction Label R176 \n RKI( NCELL, 180) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label R177 \n RKI( NCELL, 181) = RKI( NCELL, 58 ) \n! Reaction Label R178 \n RKI( NCELL, 182) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.9000D-13, 1.3000D+03 )\n! Reaction Label R179 \n RKI( NCELL, 183) = RKI( NCELL, 70 ) \n! Reaction Label R180 \n RKI( NCELL, 184) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.8000D-12, 3.4000D+02 )\n! Reaction Label R181 \n RKI( NCELL, 185) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label R182 \n RKI( NCELL, 186) = RKI( NCELL, 58 ) \n! Reaction Label R183 \n RKI( NCELL, 187) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.9000D-13, 1.3000D+03 )\n! Reaction Label R184 \n RKI( NCELL, 188) = RKI( NCELL, 70 ) \n! Reaction Label R185 \n RKI( NCELL, 189) = 1.8500D-11 * CFACT \n! Reaction Label R185a \n RKI( NCELL, 190) = 1.8500D-11 * CFACT \n! Reaction Label R186 \n RKI( NCELL, 191) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label R187 \n RKI( NCELL, 192) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.9000D-13, 1.3000D+03 )\n! Reaction Label R188 \n RKI( NCELL, 193) = RKI( NCELL, 58 ) \n! Reaction Label R189 \n RKI( NCELL, 194) = RKI( NCELL, 70 ) \n! Reaction Label R190 \n RKI( NCELL, 195) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.7000D-12, 9.5000D+02 )\n! Reaction Label R191 \n RKI( NCELL, 196) = 1.4000D-11 * CFACT \n! Reaction Label R192 \n RKI( NCELL, 197) = 2.1000D-12 * CFACT \n! Reaction Label R193 \n RKI( NCELL, 198) = 5.5000D-12 * CFACT \n! Reaction Label R194 \n RKI( NCELL, 199) = 1.5300D-12 * CFACT \n! Reaction Label R195 \n RKI( NCELL, 200) = 3.8000D-12 * CFACT \n! Reaction Label R198 \n RKI( NCELL, 203) = 9.0000D-11 * CFACT \n! Reaction Label R199 \n RKI( NCELL, 204) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.0800D-16, -5.0000D+02 )\n! Reaction Label R200 \n RKI( NCELL, 205) = 3.0000D-12 * CFACT \n! Reaction Label R202 \n RKI( NCELL, 207) = 4.4000D-11 * CFACT \n! Reaction Label R203 \n RKI( NCELL, 208) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.4000D-17, -5.0000D+02 )\n! Reaction Label R204 \n RKI( NCELL, 209) = 3.8000D-12 * CFACT \n! Reaction Label R205 \n RKI( NCELL, 210) = 5.0000D-11 * CFACT \n! Reaction Label R206 \n RKI( NCELL, 211) = 1.7000D-10 * CFACT \n! Reaction Label R207 \n RKI( NCELL, 212) = RKI( NCELL, 61 ) \n! Reaction Label R208 \n RKI( NCELL, 213) = RKI( NCELL, 62 ) \n! Reaction Label R209 \n RKI( NCELL, 214) = RKI( NCELL, 63 ) \n! Reaction Label R210 \n RKI( NCELL, 215) = RKI( NCELL, 57 ) \n! Reaction Label R211 \n RKI( NCELL, 216) = RKI( NCELL, 59 ) \n! Reaction Label R212 \n RKI( NCELL, 217) = RKI( NCELL, 58 ) \n! Reaction Label R213 \n RKI( NCELL, 218) = 3.6000D-11 * CFACT \n! Reaction Label R214 \n RKI( NCELL, 219) = 3.0000D-12 * CFACT \n! Reaction Label R216 \n RKI( NCELL, 220) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.8500D-12, -1.6900D+03 )\n! Reaction Label R217 \n RKI( NCELL, 221) = SFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 2.3700D-21, 0.0000D+00, 0.0000D+00, & \n & 4.0700D-01, 0.0000D+00, -8.0000D+00, & \n & 1.0000D+00, 4.1000D-01 )\n! Reaction Label R218 \n RKI( NCELL, 222) = 1.0000D+00 * SFACT \n! Reaction Label R219 \n RKI( NCELL, 223) = SFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 4.8100D-20, 0.0000D+00, 0.0000D+00, & \n & 4.0700D-01, 0.0000D+00, -8.0000D+00, & \n & 1.0000D+00, 4.1000D-01 )\n! Reaction Label R220 \n RKI( NCELL, 224) = 1.0000D+00 * SFACT \n! Reaction Label R221 \n RKI( NCELL, 225) = 1.1000D-30 * CFACT_SQU \n! Reaction Label CL3 \n RKI( NCELL, 228) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.3000D-11, -2.0000D+02 )\n! Reaction Label CL4 \n RKI( NCELL, 229) = 1.6300D-14 * CFACT \n! Reaction Label CL5 \n RKI( NCELL, 230) = CFACT * ARRHENUIS_T03( INV_TEMP, 6.4000D-12, 2.9000D+02 )\n! Reaction Label CL6 \n RKI( NCELL, 231) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.2000D-12, 3.4000D+02 )\n! Reaction Label CL7 \n RKI( NCELL, 232) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.2000D-12, -1.1000D+02 )\n! Reaction Label CL8 \n RKI( NCELL, 233) = 5.0000D-13 * CFACT \n! Reaction Label CL10 \n RKI( NCELL, 235) = CFACT * ARRHENUIS_T03( INV_TEMP, 6.6000D-12, -1.2400D+03 )\n! Reaction Label CL11 \n RKI( NCELL, 236) = 5.0000D-11 * CFACT \n! Reaction Label CL12 \n RKI( NCELL, 237) = 1.4000D-10 * CFACT \n! Reaction Label CL13 \n RKI( NCELL, 238) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.3000D-11, -1.0000D+02 )\n! Reaction Label CL14 \n RKI( NCELL, 239) = 1.0700D-10 * CFACT \n! Reaction Label CL15 \n RKI( NCELL, 240) = 2.5000D-10 * CFACT \n! Reaction Label CL16 \n RKI( NCELL, 241) = 3.5000D-10 * CFACT \n! Reaction Label CL17 \n RKI( NCELL, 242) = 4.3000D-10 * CFACT \n! Reaction Label CL18 \n RKI( NCELL, 243) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.2000D-11, -3.4000D+01 )\n! Reaction Label CL19 \n RKI( NCELL, 244) = 7.9000D-11 * CFACT \n! Reaction Label CL20 \n RKI( NCELL, 245) = 1.3000D-10 * CFACT \n! Reaction Label CL21 \n RKI( NCELL, 246) = 5.5000D-11 * CFACT \n! Reaction Label CL22 \n RKI( NCELL, 247) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.2000D-11, 4.5000D+01 )\n! Reaction Label CL23 \n RKI( NCELL, 248) = CFACT * ARRHENUIS_T04( INV_TEMP, TEMPOT300, & \n & 6.5800D-13, 5.8000D+01, 1.1600D+00 )\n! Reaction Label CL24 \n RKI( NCELL, 249) = 6.1000D-11 * CFACT \n! Reaction Label CL25 \n RKI( NCELL, 250) = 1.2000D-10 * CFACT \n! Reaction Label CL26 \n RKI( NCELL, 251) = 1.2000D-10 * CFACT \n! Reaction Label CL28 \n RKI( NCELL, 253) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 1.8000D-31, 0.0000D+00, -3.4000D+00, & \n & 1.5000D-11, 0.0000D+00, -1.9000D+00, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label HET_CLNO3_WAI \n RKI( NCELL, 256) = BLKHET( NCELL, IK_HETERO_CLNO3_WAI )\n! Reaction Label HET_CLNO3_WAJ \n RKI( NCELL, 257) = BLKHET( NCELL, IK_HETERO_CLNO3_WAJ )\n! Reaction Label SA01 \n RKI( NCELL, 258) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label SA02 \n RKI( NCELL, 259) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.9000D-13, 1.3000D+03 )\n! Reaction Label SA03 \n RKI( NCELL, 260) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label SA04 \n RKI( NCELL, 261) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.9000D-13, 1.3000D+03 )\n! Reaction Label SA06 \n RKI( NCELL, 262) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label SA07 \n RKI( NCELL, 263) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.9000D-13, 1.3000D+03 )\n! Reaction Label SA08 \n RKI( NCELL, 264) = 1.1600D-14 * CFACT \n! Reaction Label SA09 \n RKI( NCELL, 265) = 1.9700D-10 * CFACT \n! Reaction Label SA10 \n RKI( NCELL, 266) = 1.9000D-11 * CFACT \n! Reaction Label SA11 \n RKI( NCELL, 267) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label SA12 \n RKI( NCELL, 268) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.9000D-13, 1.3000D+03 )\n! Reaction Label SA13 \n RKI( NCELL, 269) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.7400D+02 )\n! Reaction Label HET_NTR2 \n RKI( NCELL, 270) = 1.4000D+00 * BLKHET( NCELL, IK_HETERO_NTR2 )\n! Reaction Label HET_N2O5IJ \n RKI( NCELL, 271) = BLKHET( NCELL, IK_HETERO_N2O5IJ )\n! Reaction Label HET_N2O5K \n RKI( NCELL, 272) = BLKHET( NCELL, IK_HETERO_N2O5K )\n! Reaction Label HET_H2NO3PIJA \n RKI( NCELL, 273) = BLKHET( NCELL, IK_HETERO_H2NO3PAIJ )\n! Reaction Label HET_H2NO3PKA \n RKI( NCELL, 274) = BLKHET( NCELL, IK_HETERO_H2NO3PAK )\n! Reaction Label HET_H2NO3PIB \n RKI( NCELL, 275) = BLKHET( NCELL, IK_HETERO_H2NO3PBIJ )\n! Reaction Label HET_H2NO3PJB \n RKI( NCELL, 276) = BLKHET( NCELL, IK_HETERO_H2NO3PBIJ )\n! Reaction Label HET_H2NO3PKB \n RKI( NCELL, 277) = BLKHET( NCELL, IK_HETERO_H2NO3PBK )\n! Reaction Label HET_N02 \n RKI( NCELL, 278) = BLKHET( NCELL, IK_HETERO_NO2 )\n! Reaction Label HET_IEPOX \n RKI( NCELL, 280) = BLKHET( NCELL, IK_HETERO_IEPOX )\n! Reaction Label HET_IEPOXOS \n RKI( NCELL, 281) = BLKHET( NCELL, IK_HETERO_IEPOXOS )\n! Reaction Label HET_TETROL \n RKI( NCELL, 282) = BLKHET( NCELL, IK_HETERO_TETROL )\n! Reaction Label HET_GLY \n RKI( NCELL, 283) = BLKHET( NCELL, IK_HETERO_GLY )\n! Reaction Label HET_MGLY \n RKI( NCELL, 284) = BLKHET( NCELL, IK_HETERO_MGLY )\n! Reaction Label BL18a \n RKI( NCELL, 285) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.6000D-12, 3.8000D+02 )\n! Reaction Label BL18b \n RKI( NCELL, 286) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.6500D-13, 1.3000D+03 )\n! Reaction Label BL18c \n RKI( NCELL, 287) = 2.3000D-12 * CFACT \n! Reaction Label BL18d \n RKI( NCELL, 288) = 3.5000D-14 * CFACT \n! Reaction Label CP07mtp \n RKI( NCELL, 289) = 1.9200D-10 * CFACT \n! Reaction Label BP70mtp \n RKI( NCELL, 290) = 7.2000D-12 * CFACT \n! Reaction Label HYD_MT \n RKI( NCELL, 292) = 9.2590D-05 * SFACT \n! Reaction Label OLIG_AROMATIC1 \n RKI( NCELL, 293) = 9.4882D-06 * SFACT \n! Reaction Label OLIG_AROMATIC2 \n RKI( NCELL, 294) = 9.4882D-06 * SFACT \n! Reaction Label OLIG_AROMATIC3 \n RKI( NCELL, 295) = 9.4882D-06 * SFACT \n! Reaction Label OLIG_ISOPRENE1 \n RKI( NCELL, 296) = 9.4882D-06 * SFACT \n! Reaction Label OLIG_ISOPRENE2 \n RKI( NCELL, 297) = 9.4882D-06 * SFACT \n! Reaction Label OLIG_SESQT1 \n RKI( NCELL, 298) = 9.4882D-06 * SFACT \n! Reaction Label RPOAGEPI \n RKI( NCELL, 299) = 2.5000D-12 * CFACT \n! Reaction Label RPOAGELI \n RKI( NCELL, 300) = BLKHET( NCELL, IK_HETERO_PNCOMLI )\n! Reaction Label RPOAGEPJ \n RKI( NCELL, 301) = 2.5000D-12 * CFACT \n! Reaction Label RPOAGELJ \n RKI( NCELL, 302) = BLKHET( NCELL, IK_HETERO_PNCOMLJ )\n! Reaction Label PCSOA \n RKI( NCELL, 303) = 1.2500D-11 * CFACT \n! Reaction Label POA_AGE1 \n RKI( NCELL, 304) = 4.0000D-11 * CFACT \n! Reaction Label POA_AGE2 \n RKI( NCELL, 305) = 4.0000D-11 * CFACT \n! Reaction Label POA_AGE3 \n RKI( NCELL, 306) = 4.0000D-11 * CFACT \n! Reaction Label POA_AGE4 \n RKI( NCELL, 307) = 4.0000D-11 * CFACT \n! Reaction Label POA_AGE5 \n RKI( NCELL, 308) = 4.0000D-11 * CFACT \n! Reaction Label POA_AGE6 \n RKI( NCELL, 309) = 4.0000D-11 * CFACT \n! Reaction Label POA_AGE7 \n RKI( NCELL, 310) = 4.0000D-11 * CFACT \n! Reaction Label POA_AGE8 \n RKI( NCELL, 311) = 4.0000D-11 * CFACT \n! Reaction Label POA_AGE9 \n RKI( NCELL, 312) = 4.0000D-11 * CFACT \n! Reaction Label POA_AGE10 \n RKI( NCELL, 313) = 4.0000D-11 * CFACT \n! Reaction Label T01 \n RKI( NCELL, 314) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.4000D-12, 1.3500D+02 )\n! Reaction Label T02 \n RKI( NCELL, 315) = 5.5000D-16 * CFACT \n! Reaction Label T03 \n RKI( NCELL, 316) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.4000D-11, -1.6000D+03 )\n! Reaction Label TCL1 \n RKI( NCELL, 319) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.2000D-11, -3.4000D+01 )\n! Reaction Label T06 \n RKI( NCELL, 320) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.7000D-12, 3.4500D+02 )\n! Reaction Label T07 \n RKI( NCELL, 321) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.4000D-12, -1.8600D+03 )\n! Reaction Label T08 \n RKI( NCELL, 322) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.8000D-11, -1.1000D+03 )\n! Reaction Label TCL2 \n RKI( NCELL, 324) = 7.9000D-11 * CFACT \n! Reaction Label T10 \n RKI( NCELL, 325) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.4800D-11, 4.4800D+02 )\n! Reaction Label T11 \n RKI( NCELL, 326) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.3400D-14, -2.2830D+03 )\n! Reaction Label T12 \n RKI( NCELL, 327) = 1.7900D-13 * CFACT \n! Reaction Label TCL3 \n RKI( NCELL, 328) = 2.5100D-10 * CFACT \n! Reaction Label T13 \n RKI( NCELL, 329) = 2.0000D-11 * CFACT \n! Reaction Label T14 \n RKI( NCELL, 330) = 2.6100D-19 * CFACT \n! Reaction Label T15 \n RKI( NCELL, 331) = 1.1500D-15 * CFACT \n! Reaction Label TCL4 \n RKI( NCELL, 333) = 2.3700D-10 * CFACT \n! Reaction Label T17 \n RKI( NCELL, 334) = 2.0000D-11 * CFACT \n! Reaction Label T18 \n RKI( NCELL, 335) = 2.6100D-19 * CFACT \n! Reaction Label T19 \n RKI( NCELL, 336) = 1.1500D-15 * CFACT \n! Reaction Label TCL5 \n RKI( NCELL, 338) = 2.3700D-10 * CFACT \n! Reaction Label T21 \n RKI( NCELL, 339) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.8000D-12, 3.4000D+02 )\n! Reaction Label TCL6 \n RKI( NCELL, 340) = 6.1000D-11 * CFACT \n! Reaction Label HG1 \n RKI( NCELL, 341) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.1100D-18, -1.2565D+03 )\n! Reaction Label HG2 \n RKI( NCELL, 342) = 2.6000D-18 * CFACT \n! Reaction Label HG3 \n RKI( NCELL, 343) = 8.5000D-19 * CFACT \n! Reaction Label HG4 \n RKI( NCELL, 344) = 7.7000D-14 * CFACT \n! Reaction Label HG5 \n RKI( NCELL, 345) = CFACT_SQU * ARRHENUIS_T03( INV_TEMP, 2.2500D-33, 6.8000D+02 )\n! Reaction Label DMS1 \n RKI( NCELL, 346) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.1200D-11, -2.5000D+02 )\n! Reaction Label DMS2 \n RKI( NCELL, 347) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 1.9900D-39, 5.2700D+03, 0.0000D+00, & \n & 1.2600D-10, -3.4000D+02, 0.0000D+00, & \n & 1.0000D+00, 1.0000D+00 )\n! Reaction Label DMS3 \n RKI( NCELL, 348) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.9000D-13, 5.2000D+02 )\n! Reaction Label DMS4 \n RKI( NCELL, 349) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.4000D-13, 2.0810D+03 )\n\n END DO \n! Multiply rate constants by [M], [O2], [N2], [H2O], [H2], or [CH4]\n! where needed and return\n IF ( NWM .GT. 0 ) THEN\n DO NRT = 1, NWM\n IRXN = NRXWM( NRT )\n DO NCELL = 1, NUMCELLS\n RKI( NCELL,IRXN ) = RKI( NCELL,IRXN ) * ATM_AIR\n END DO\n END DO\n END IF\n IF ( NWO2 .GT. 0 ) THEN\n DO NRT = 1, NWO2\n IRXN = NRXWO2( NRT )\n DO NCELL = 1, NUMCELLS\n RKI( NCELL,IRXN ) = RKI( NCELL,IRXN ) * ATM_O2\n END DO\n END DO\n END IF\n IF ( NWN2 .GT. 0 ) THEN\n DO NRT = 1, NWN2\n IRXN = NRXWN2( NRT )\n DO NCELL = 1, NUMCELLS\n RKI( NCELL,IRXN ) = RKI( NCELL,IRXN ) * ATM_N2\n END DO\n END DO\n END IF\n IF ( NWW .GT. 0 ) THEN\n DO NRT = 1, NWW\n IRXN = NRXWW( NRT )\n DO NCELL = 1, NUMCELLS\n RKI( NCELL,IRXN ) = RKI( NCELL,IRXN ) * BLKH2O( NCELL )\n END DO\n END DO\n END IF\n IF ( NWH2 .GT. 0 ) THEN\n DO NRT = 1, NWH2\n IRXN = NRXWH2( NRT )\n DO NCELL = 1, NUMCELLS\n RKI( NCELL,IRXN ) = RKI( NCELL,IRXN ) * ATM_H2\n END DO\n END DO\n END IF\n IF ( NWCH4 .GT. 0 ) THEN\n DO NRT = 1, NWCH4\n IRXN = NRXWCH4( NRT )\n DO NCELL = 1, NUMCELLS\n RKI( NCELL,IRXN ) = RKI( NCELL,IRXN ) * ATM_CH4\n END DO\n END DO\n END IF\n RETURN\n END SUBROUTINE CALC_RCONST\n FUNCTION MAP_CHEMISTRY_SPECIES() RESULT ( SUCCESS )\n\n! Purpose find or test the CGRID Index, Species Type, and Conversion Factor\n! for the Mechanism against the CMAQ namelists\n\n USE UTILIO_DEFN\n USE CGRID_SPCS\n USE RXNS_DATA\n\n IMPLICIT NONE\n\n!Parameters:\n CHARACTER( 1 ), PARAMETER :: BL = ' '\n INTEGER, PARAMETER :: SPC_DIM = 200\n!Local:\n\n LOGICAL SUCCESS\n INTEGER I, IOS, J\n INTEGER I1, I2, I3, I4 ! SURROGATE TYPE 1 COUNTERS\n INTEGER J1, J2 ! SURROGATE TYPE 2 COUNTERS\n INTEGER K1, K2, K3, K4, K5 ! CONTROL TYPE COUNTERS\n INTEGER ICALL\n\n LOGICAL :: ORDER = .TRUE.\n LOGICAL :: FOUND = .TRUE.\n\n CHARACTER( 120 ) :: XMSG\n\n CHARACTER( 16 ), ALLOCATABLE :: CGRID_SPC ( : )\n CHARACTER( 16 ), ALLOCATABLE :: NML_SPC ( : )\n CHARACTER( 2 ), ALLOCATABLE :: NML_TYPE ( : )\n INTEGER, ALLOCATABLE :: NML_INDEX ( : )\n LOGICAL, ALLOCATABLE :: NML_CONVERT( : )\n REAL, ALLOCATABLE :: NML_MOLWT ( : )\n REAL :: DELTA ! fractional difference\n\n LOGICAL, SAVE :: INITIALIZED = .FALSE.\n\n IF( INITIALIZED )RETURN\n\n INITIALIZED = .TRUE.\n SUCCESS = .TRUE.\n\n\n ALLOCATE ( CGRID_SPC( NSPCSD - 1 ), &\n & NML_SPC ( NSPCSD - 1 ), &\n & NML_INDEX( NSPCSD - 1 ), &\n & NML_TYPE( NSPCSD - 1 ), &\n & NML_CONVERT( NSPCSD - 1 ), &\n & NML_MOLWT( NSPCSD - 1 ), &\n & STAT = IOS )\n\n\n J = 0\n\n\n NML_INDEX = -1\n TYPE_INDEX = -1\n NML_TYPE = '??'\n NML_CONVERT = .FALSE.\n\n DO I = 1, N_GC_SPC ! load gc names and indices\n J = J + 1\n CGRID_SPC( I ) = GC_SPC( I )\n NML_INDEX( J ) = I + GC_STRT -1\n NML_TYPE( J ) = 'GC'\n NML_MOLWT( J ) = GC_MOLWT( I )\n END DO\n\n DO I = 1, N_AE_SPC ! load ae names and indices\n J = J + 1\n CGRID_SPC( J ) = AE_SPC( I )\n NML_INDEX( J ) = I + AE_STRT - 1\n NML_TYPE( J ) = 'AE'\n NML_CONVERT( J ) = .TRUE.\n NML_MOLWT( J ) = AE_MOLWT( I )\n END DO\n\n DO I = 1, N_NR_SPC ! load nr names and indices\n J = J + 1\n CGRID_SPC( J ) = NR_SPC( I )\n NML_INDEX( J ) = I + NR_STRT - 1\n NML_TYPE( J ) = 'NR'\n NML_MOLWT( J ) = NR_MOLWT( I )\n END DO\n\n DO I = 1, N_TR_SPC ! load tr names and indices\n J = J + 1\n CGRID_SPC( J ) = TR_SPC( I )\n NML_INDEX( J ) = I + TR_STRT - 1\n NML_TYPE( J ) = 'TR'\n NML_MOLWT( J ) = TR_MOLWT( I )\n END DO\n\n NML_SPC( 1:(NSPCSD-1) ) = CGRID_SPC( 1:(NSPCSD-1) )\n\n\n! determine if mechanism species are in cgrid species\n\n DO I = 1, NUMB_MECH_SPC\n! set species informations arrays using SPECIES_LIST array before mapping\n CHEMISTRY_SPC( I ) = SPECIES_LIST( I )%CHEMISTRY_SPC\n CGRID_INDEX ( I ) = SPECIES_LIST( I )%CGRID_INDEX\n SPECIES_TYPE ( I ) = SPECIES_LIST( I )%SPECIES_TYPE\n CONVERT_CONC ( I ) = SPECIES_LIST( I )%CONVERT_CONC\n SPECIES_MOLWT( I ) = SPECIES_LIST( I )%SPECIES_MOLWT\n\n I1 = INDEX1R( CHEMISTRY_SPC( I ), (NSPCSD-1), CGRID_SPC )\n IF ( I1 .LT. 1 ) THEN\n FOUND = .FALSE.\n ELSE\n FOUND = .TRUE.\n IF( .NOT. MAPPED_TO_CGRID )THEN\n CGRID_INDEX( I ) = NML_INDEX( I1 )\n SPECIES_TYPE( I ) = NML_TYPE ( I1 )\n SPECIES_MOLWT( I ) = NML_MOLWT( I1 )\n CONVERT_CONC( I ) = NML_CONVERT( I1 )\n ELSE\n IF(CGRID_INDEX( I ) .NE. NML_INDEX( I1 ))THEN\n SUCCESS = .FALSE.\n XMSG = '*** For Species ' // TRIM( CHEMISTRY_SPC( I ) ) &\n & // ' cgrid index does not match mechanism value.'\n WRITE( LOGDEV,'( /5X, A )' ) TRIM( XMSG )\n WRITE( XMSG,'(A,I3,1X,I3)')'CGRID Indices: Mechanism and NML Values are ', &\n & CGRID_INDEX( I ),NML_INDEX( I1 )\n WRITE( LOGDEV,'( 5X, A )' )XMSG\n END IF\n IF(CONVERT_CONC( I ) .NEQV. NML_CONVERT( I1 ))THEN\n SUCCESS = .FALSE.\n XMSG = '*** For Species ' // TRIM( CHEMISTRY_SPC( I ) ) &\n & // ' species unit conversion flag does not match mechanism value.'\n WRITE( LOGDEV,'( /5X, A )' ) TRIM( XMSG )\n WRITE( XMSG,'(A,1X,L21X,L2)')'CONVERSION FLAGS: Mechanism and NML Values are ', &\n & CONVERT_CONC( I ),NML_CONVERT( I1 )\n WRITE( LOGDEV,'( 5X, A )' )XMSG\n WRITE( XMSG,'(A,1X,A3,1X,A3)')'SPECIES TYPE: Mechanism and NML Values are ', &\n & SPECIES_TYPE( I ),NML_TYPE( I1 )\n WRITE( LOGDEV,'( 5X, A )' )XMSG\n END IF\n DELTA = ( SPECIES_MOLWT( I ) - NML_MOLWT( I1 ) )/MAX(NML_MOLWT( I1 ),1.0E-20)\n IF( ABS( DELTA ) .GE. 0.05 )THEN\n IF( CONVERT_CONC( I ) )SUCCESS = .FALSE.\n XMSG = '*** For Species ' // TRIM( CHEMISTRY_SPC( I ) ) &\n & // ' species molecular weight does not match mechanism value.'\n WRITE( LOGDEV,'( /5X, A )' ) TRIM( XMSG )\n WRITE( XMSG,'(A,2(ES12.4,1X))')'Molecular Weight: Mechanism and NML Values are ', &\n & SPECIES_MOLWT( I ), NML_MOLWT( I1 )\n WRITE( LOGDEV,'( 5X, A )' )XMSG\n END IF\n END IF\n END IF\n IF( INDEX( CHEMISTRY_SPC( I ), 'SRF') .GT. 0 )THEN\n SUCCESS = .FALSE.\n XMSG = '*** reactions cannot use modal aerosol surface area as species'\n WRITE( LOGDEV,'( /5X, A )' ) TRIM( XMSG )\n XMSG = TRIM( CHEMISTRY_SPC( I ) )\n WRITE( LOGDEV,'( 2X, A )' ) TRIM( XMSG )\n END IF\n IF( INDEX( CHEMISTRY_SPC( I ), 'NUM') .GT. 0 )THEN\n SUCCESS = .FALSE.\n XMSG = '*** reactions cannot use modal aerosol number density as species'\n WRITE( LOGDEV,'( /5X, A )' ) TRIM( XMSG )\n XMSG = TRIM( CHEMISTRY_SPC( I ) )\n WRITE( LOGDEV,'( 2X, A )' ) TRIM( XMSG )\n END IF\n IF ( .NOT. FOUND ) THEN\n XMSG = 'Fatal error: Mechanism Species found not in species namelist:'\n WRITE( LOGDEV,'( /5X, A )', ADVANCE = 'NO' ) TRIM( XMSG )\n XMSG = TRIM( CHEMISTRY_SPC( I ) )\n WRITE( LOGDEV,'( 2X, A )' ) TRIM( XMSG )\n SUCCESS = .FALSE.\n END IF\n END DO\n\n IF( SUCCESS )RETURN\n\n WRITE(LOGDEV,99901)TRIM( MECHNAME )\n XMSG = 'The FATAL errors found in namelist used. Check ' &\n & // 'the log of exiting processor if more details are needed.'\n CALL M3WARN('MAP_CHEMISTRY_SPECIES',0,0,XMSG)\n\n\n99901 FORMAT( / 'FATAL error(s) found in the namelists used. Check that ' &\n & / 'these namelists contain the above data as the respective files ' &\n & / 'in the respository version of the mechanism: ' , A )\n\n RETURN\n\n END FUNCTION MAP_CHEMISTRY_SPECIES\n!----------------------------------------------------------------------------------------\n INTEGER FUNCTION INDEX1R ( NAME, N, NLIST )\n IMPLICIT NONE\n CHARACTER( * ) NAME ! character string being searched for\n INTEGER N ! length of array to be searched\n CHARACTER( * ) NLIST( : ) ! array to be searched\n\n INTEGER I\n\n DO I = 1, N\n IF ( NAME .EQ. NLIST( I ) ) THEN\n INDEX1R = I\n RETURN\n END IF\n END DO\n INDEX1R = 0\n RETURN\n\n END FUNCTION INDEX1R\n SUBROUTINE RESET_SPECIES_POINTERS( IOLD2NEW )\n\n USE RXNS_DATA\n IMPLICIT NONE\n INTEGER, INTENT( IN ) :: IOLD2NEW( :,: ) \n\n\n INDEX_NO2 = IOLD2NEW( INDEX_NO2 , 1 )\n INDEX_NO = IOLD2NEW( INDEX_NO , 1 )\n INDEX_O = IOLD2NEW( INDEX_O , 1 )\n INDEX_O3 = IOLD2NEW( INDEX_O3 , 1 )\n INDEX_NO3 = IOLD2NEW( INDEX_NO3 , 1 )\n INDEX_O1D = IOLD2NEW( INDEX_O1D , 1 )\n INDEX_OH = IOLD2NEW( INDEX_OH , 1 )\n INDEX_HO2 = IOLD2NEW( INDEX_HO2 , 1 )\n INDEX_H2O2 = IOLD2NEW( INDEX_H2O2 , 1 )\n INDEX_N2O5 = IOLD2NEW( INDEX_N2O5 , 1 )\n INDEX_HNO3 = IOLD2NEW( INDEX_HNO3 , 1 )\n INDEX_HONO = IOLD2NEW( INDEX_HONO , 1 )\n INDEX_PNA = IOLD2NEW( INDEX_PNA , 1 )\n INDEX_SO2 = IOLD2NEW( INDEX_SO2 , 1 )\n INDEX_SULF = IOLD2NEW( INDEX_SULF , 1 )\n INDEX_SULRXN = IOLD2NEW( INDEX_SULRXN , 1 )\n INDEX_C2O3 = IOLD2NEW( INDEX_C2O3 , 1 )\n INDEX_MEO2 = IOLD2NEW( INDEX_MEO2 , 1 )\n INDEX_RO2 = IOLD2NEW( INDEX_RO2 , 1 )\n INDEX_PAN = IOLD2NEW( INDEX_PAN , 1 )\n INDEX_PACD = IOLD2NEW( INDEX_PACD , 1 )\n INDEX_AACD = IOLD2NEW( INDEX_AACD , 1 )\n INDEX_CXO3 = IOLD2NEW( INDEX_CXO3 , 1 )\n INDEX_ALD2 = IOLD2NEW( INDEX_ALD2 , 1 )\n INDEX_XO2H = IOLD2NEW( INDEX_XO2H , 1 )\n INDEX_PANX = IOLD2NEW( INDEX_PANX , 1 )\n INDEX_FORM = IOLD2NEW( INDEX_FORM , 1 )\n INDEX_MEPX = IOLD2NEW( INDEX_MEPX , 1 )\n INDEX_MEOH = IOLD2NEW( INDEX_MEOH , 1 )\n INDEX_ROOH = IOLD2NEW( INDEX_ROOH , 1 )\n INDEX_XO2 = IOLD2NEW( INDEX_XO2 , 1 )\n INDEX_XO2N = IOLD2NEW( INDEX_XO2N , 1 )\n INDEX_NTR1 = IOLD2NEW( INDEX_NTR1 , 1 )\n INDEX_NTR2 = IOLD2NEW( INDEX_NTR2 , 1 )\n INDEX_FACD = IOLD2NEW( INDEX_FACD , 1 )\n INDEX_CO = IOLD2NEW( INDEX_CO , 1 )\n INDEX_HCO3 = IOLD2NEW( INDEX_HCO3 , 1 )\n INDEX_ALDX = IOLD2NEW( INDEX_ALDX , 1 )\n INDEX_GLYD = IOLD2NEW( INDEX_GLYD , 1 )\n INDEX_GLY = IOLD2NEW( INDEX_GLY , 1 )\n INDEX_MGLY = IOLD2NEW( INDEX_MGLY , 1 )\n INDEX_ETHA = IOLD2NEW( INDEX_ETHA , 1 )\n INDEX_ETOH = IOLD2NEW( INDEX_ETOH , 1 )\n INDEX_KET = IOLD2NEW( INDEX_KET , 1 )\n INDEX_PAR = IOLD2NEW( INDEX_PAR , 1 )\n INDEX_ACET = IOLD2NEW( INDEX_ACET , 1 )\n INDEX_PRPA = IOLD2NEW( INDEX_PRPA , 1 )\n INDEX_XPRP = IOLD2NEW( INDEX_XPRP , 1 )\n INDEX_XPAR = IOLD2NEW( INDEX_XPAR , 1 )\n INDEX_ROR = IOLD2NEW( INDEX_ROR , 1 )\n INDEX_ETHY = IOLD2NEW( INDEX_ETHY , 1 )\n INDEX_ETH = IOLD2NEW( INDEX_ETH , 1 )\n INDEX_OLE = IOLD2NEW( INDEX_OLE , 1 )\n INDEX_IOLE = IOLD2NEW( INDEX_IOLE , 1 )\n INDEX_ISOP = IOLD2NEW( INDEX_ISOP , 1 )\n INDEX_ISO2 = IOLD2NEW( INDEX_ISO2 , 1 )\n INDEX_ISOPRXN = IOLD2NEW( INDEX_ISOPRXN , 1 )\n INDEX_ISPD = IOLD2NEW( INDEX_ISPD , 1 )\n INDEX_INTR = IOLD2NEW( INDEX_INTR , 1 )\n INDEX_ISPX = IOLD2NEW( INDEX_ISPX , 1 )\n INDEX_HPLD = IOLD2NEW( INDEX_HPLD , 1 )\n INDEX_OPO3 = IOLD2NEW( INDEX_OPO3 , 1 )\n INDEX_EPOX = IOLD2NEW( INDEX_EPOX , 1 )\n INDEX_EPX2 = IOLD2NEW( INDEX_EPX2 , 1 )\n INDEX_TERP = IOLD2NEW( INDEX_TERP , 1 )\n INDEX_TRPRXN = IOLD2NEW( INDEX_TRPRXN , 1 )\n INDEX_TERPNRO2 = IOLD2NEW( INDEX_TERPNRO2 , 1 )\n INDEX_APIN = IOLD2NEW( INDEX_APIN , 1 )\n INDEX_BENZENE = IOLD2NEW( INDEX_BENZENE , 1 )\n INDEX_CRES = IOLD2NEW( INDEX_CRES , 1 )\n INDEX_BZO2 = IOLD2NEW( INDEX_BZO2 , 1 )\n INDEX_OPEN = IOLD2NEW( INDEX_OPEN , 1 )\n INDEX_BENZRO2 = IOLD2NEW( INDEX_BENZRO2 , 1 )\n INDEX_TOL = IOLD2NEW( INDEX_TOL , 1 )\n INDEX_TO2 = IOLD2NEW( INDEX_TO2 , 1 )\n INDEX_TOLRO2 = IOLD2NEW( INDEX_TOLRO2 , 1 )\n INDEX_XOPN = IOLD2NEW( INDEX_XOPN , 1 )\n INDEX_XYLMN = IOLD2NEW( INDEX_XYLMN , 1 )\n INDEX_XLO2 = IOLD2NEW( INDEX_XLO2 , 1 )\n INDEX_XYLRO2 = IOLD2NEW( INDEX_XYLRO2 , 1 )\n INDEX_NAPH = IOLD2NEW( INDEX_NAPH , 1 )\n INDEX_PAHRO2 = IOLD2NEW( INDEX_PAHRO2 , 1 )\n INDEX_CRO = IOLD2NEW( INDEX_CRO , 1 )\n INDEX_CAT1 = IOLD2NEW( INDEX_CAT1 , 1 )\n INDEX_CRON = IOLD2NEW( INDEX_CRON , 1 )\n INDEX_OPAN = IOLD2NEW( INDEX_OPAN , 1 )\n INDEX_ECH4 = IOLD2NEW( INDEX_ECH4 , 1 )\n INDEX_CL2 = IOLD2NEW( INDEX_CL2 , 1 )\n INDEX_CL = IOLD2NEW( INDEX_CL , 1 )\n INDEX_HOCL = IOLD2NEW( INDEX_HOCL , 1 )\n INDEX_CLO = IOLD2NEW( INDEX_CLO , 1 )\n INDEX_FMCL = IOLD2NEW( INDEX_FMCL , 1 )\n INDEX_HCL = IOLD2NEW( INDEX_HCL , 1 )\n INDEX_CLNO2 = IOLD2NEW( INDEX_CLNO2 , 1 )\n INDEX_CLNO3 = IOLD2NEW( INDEX_CLNO3 , 1 )\n INDEX_SVAVB2 = IOLD2NEW( INDEX_SVAVB2 , 1 )\n INDEX_SVAVB3 = IOLD2NEW( INDEX_SVAVB3 , 1 )\n INDEX_SVAVB4 = IOLD2NEW( INDEX_SVAVB4 , 1 )\n INDEX_SVAVB1 = IOLD2NEW( INDEX_SVAVB1 , 1 )\n INDEX_SESQ = IOLD2NEW( INDEX_SESQ , 1 )\n INDEX_SESQRXN = IOLD2NEW( INDEX_SESQRXN , 1 )\n INDEX_SOAALK = IOLD2NEW( INDEX_SOAALK , 1 )\n INDEX_H2NO3PIJ = IOLD2NEW( INDEX_H2NO3PIJ , 1 )\n INDEX_H2NO3PK = IOLD2NEW( INDEX_H2NO3PK , 1 )\n INDEX_ACLI = IOLD2NEW( INDEX_ACLI , 1 )\n INDEX_ACLJ = IOLD2NEW( INDEX_ACLJ , 1 )\n INDEX_ACLK = IOLD2NEW( INDEX_ACLK , 1 )\n INDEX_IEPOXP = IOLD2NEW( INDEX_IEPOXP , 1 )\n INDEX_ASO4J = IOLD2NEW( INDEX_ASO4J , 1 )\n INDEX_AISO3J = IOLD2NEW( INDEX_AISO3J , 1 )\n INDEX_AGLYJ = IOLD2NEW( INDEX_AGLYJ , 1 )\n INDEX_MTNO3 = IOLD2NEW( INDEX_MTNO3 , 1 )\n INDEX_AMTNO3J = IOLD2NEW( INDEX_AMTNO3J , 1 )\n INDEX_AMTHYDJ = IOLD2NEW( INDEX_AMTHYDJ , 1 )\n INDEX_AAVB2J = IOLD2NEW( INDEX_AAVB2J , 1 )\n INDEX_AOLGAJ = IOLD2NEW( INDEX_AOLGAJ , 1 )\n INDEX_AAVB3J = IOLD2NEW( INDEX_AAVB3J , 1 )\n INDEX_AAVB4J = IOLD2NEW( INDEX_AAVB4J , 1 )\n INDEX_AISO1J = IOLD2NEW( INDEX_AISO1J , 1 )\n INDEX_AOLGBJ = IOLD2NEW( INDEX_AOLGBJ , 1 )\n INDEX_AISO2J = IOLD2NEW( INDEX_AISO2J , 1 )\n INDEX_ASQTJ = IOLD2NEW( INDEX_ASQTJ , 1 )\n INDEX_APOCI = IOLD2NEW( INDEX_APOCI , 1 )\n INDEX_APNCOMI = IOLD2NEW( INDEX_APNCOMI , 1 )\n INDEX_APOCJ = IOLD2NEW( INDEX_APOCJ , 1 )\n INDEX_APNCOMJ = IOLD2NEW( INDEX_APNCOMJ , 1 )\n INDEX_PCVOC = IOLD2NEW( INDEX_PCVOC , 1 )\n INDEX_PCSOARXN = IOLD2NEW( INDEX_PCSOARXN , 1 )\n INDEX_VLVPO1 = IOLD2NEW( INDEX_VLVPO1 , 1 )\n INDEX_VSVPO1 = IOLD2NEW( INDEX_VSVPO1 , 1 )\n INDEX_VSVPO2 = IOLD2NEW( INDEX_VSVPO2 , 1 )\n INDEX_VSVPO3 = IOLD2NEW( INDEX_VSVPO3 , 1 )\n INDEX_VIVPO1 = IOLD2NEW( INDEX_VIVPO1 , 1 )\n INDEX_VLVOO1 = IOLD2NEW( INDEX_VLVOO1 , 1 )\n INDEX_VLVOO2 = IOLD2NEW( INDEX_VLVOO2 , 1 )\n INDEX_VSVOO2 = IOLD2NEW( INDEX_VSVOO2 , 1 )\n INDEX_VSVOO3 = IOLD2NEW( INDEX_VSVOO3 , 1 )\n INDEX_VSVOO1 = IOLD2NEW( INDEX_VSVOO1 , 1 )\n INDEX_FORM_PRIMARY = IOLD2NEW( INDEX_FORM_PRIMARY, 1 )\n INDEX_ALD2_PRIMARY = IOLD2NEW( INDEX_ALD2_PRIMARY, 1 )\n INDEX_BUTADIENE13 = IOLD2NEW( INDEX_BUTADIENE13 , 1 )\n INDEX_ACROLEIN = IOLD2NEW( INDEX_ACROLEIN , 1 )\n INDEX_ACRO_PRIMARY = IOLD2NEW( INDEX_ACRO_PRIMARY, 1 )\n INDEX_TOLU = IOLD2NEW( INDEX_TOLU , 1 )\n INDEX_HG = IOLD2NEW( INDEX_HG , 1 )\n INDEX_HGIIAER = IOLD2NEW( INDEX_HGIIAER , 1 )\n INDEX_HGIIGAS = IOLD2NEW( INDEX_HGIIGAS , 1 )\n INDEX_DMS = IOLD2NEW( INDEX_DMS , 1 )\n INDEX_MSA = IOLD2NEW( INDEX_MSA , 1 )\n END SUBROUTINE RESET_SPECIES_POINTERS\n END MODULE RXNS_FUNCTION\n" }, { "path": "CCTM/src/MECHS/cb6r5_ae7_aq/SpecDef_Conc_cb6r5_ae7_aq.txt", "content": "!#start YYYYJJJ 010000\n!#end YYYYJJJ 000000\n#layer 1\n\n/\n! This Species Definition File is for Use with the COMBINE tool built for \n! post-processing CMAQ output. It is compatible with CMAQv5.4.\n! Date: May 12 2017\n\n! Output variables that begin with 'PM' represent those in which a size cut was \n! applied based on modeled aerosol mode parameters. For example, PM25_NA is all \n! sodium that falls below 2.5 um diameter. These 'PM' variables are used for \n! comparisons at IMPROVE and CSN sites.\n\n! Output variables that begin with 'PMAMS' represent the mass that would have\n! been detected by an Aerosol Mass Spectrometer.\n\n! Output variables beginning with 'A' (aside from AIR_DENS) represent a \n! combination of aerosol species in which no size cut was applied. For example, \n! ASO4IJ is the sum of i-mode and j-mode sulfate. These 'A' variables are used \n! for comparisons at CASTNet sites.\n\n! Output variables beginning with 'PMC' refer to the coarse fraction of total PM,\n! computed by summing all modes and subtracting the PM2.5 fraction. These 'PMC'\n! variables are used for comparisons at SEARCH sites.\n\n! This Species Definition File is just for use with the uncoupled, offline CMAQ,\n! model. If you are processing WRF-CMAQ results, a different Species Definition\n! file is required.\n\n/ File [1]: CMAQ conc/aconc file\n/ File [2]: METCRO3D file\n/ File [3]: ELMO/AELMO file\n/ File [4]: METCRO2D file\n/\n/new species ,units ,expression\n \n!-------------------------------------------!\n!------------- Meteorology -----------------!\n!-------------------------------------------!\nAIR_DENS ,kg m-3 ,DENS[2]\nRH ,% ,100.00*RH[3]\nSFC_TMP ,C ,(TEMP2[4]-273.15)\nPBLH ,m ,PBL[4]\nSOL_RAD ,W m-2 ,RGRND[4]\nprecip ,cm ,RC[4]>=0 ? RN[4]+RC[4] : RN[4]\nWSPD10 ,m s-1 ,WSPD10[4]\nWDIR10 ,deg ,WDIR10[4]\n\n!-------------------------------------------!\n!--------------- Gases ---------------------!\n!-------------------------------------------!\nALD2 ,ppbV ,1000.0*ALD2[1]\nBENZENE ,ppbV ,1000.0*BENZENE[1]\nCO ,ppbV ,1000.0*CO[1]\nETH ,ppbV ,1000.0*ETH[1]\nETHA ,ppbV ,1000.0*ETHA[1]\nFORM ,ppbV ,1000.0*FORM[1]\nH2O2 ,ppbV ,1000.0*H2O2[1]\nHNO3 ,ppbV ,1000.0*HNO3[1]\nHNO3_UGM3 ,ug m-3 ,1000.0*(HNO3[1]*2.1756*DENS[2])\nHONO ,ppbV ,1000.0*HONO[1]\nHOX ,ppbV ,1000.0*(OH[1]+HO2[1])\nOH ,ppbV ,1000.0*(OH[1])\nISOP ,ppbV ,1000.0*ISOP[1]\nN2O5 ,ppbV ,1000.0*N2O5[1]\nNH3 ,ppbV ,1000.0*NH3[1]\nNH3_UGM3 ,ug m-3 ,1000.0*(NH3[1]*0.5880*DENS[2])\nNHX ,ug m-3 ,1000.0*(NH3[1]*0.5880*DENS[2])+ANH4I[1]+ANH4J[1]+ANH4K[1]\nNO ,ppbV ,1000.0*NO[1]\nNO2 ,ppbV ,1000.0*NO2[1]\nNOX ,ppbV ,1000.0*(NO[1] + NO2[1])\nANO3_PPB ,ppbV ,(ANO3I[1]+ANO3J[1]+ANO3K[1])/(DENS[2]*(62.0/28.97))\nNTR ,ppbV ,1000.0*(NTR1[1]+NTR2[1]+INTR[1])\nPANS ,ppbV ,1000.0*(PAN[1]+PANX[1]+OPAN[1])\nNOY ,ppbV ,1000.0* (NO[1]+NO2[1]+NO3[1]+2*N2O5[1]+HONO[1]+HNO3[1]+PNA[1] \\\n +CRON[1]+CLNO2[1]+CLNO3[1]) \\\n +PANS[0]+NTR[0]+ANO3_PPB[0]\nO3 ,ppbV ,1000.0*O3[1]\nSO2 ,ppbV ,1000.0*SO2[1]\nSO2_UGM3 ,ug m-3 ,1000.0*(SO2[1]*2.2118*DENS[2])\nTERP ,ppbV ,1000.0*TERP[1]\nTOL ,ppbV ,1000.0*TOL[1]\nXYL ,ppbV ,1000.0*XYLMN[1]\n\n!Additional Toxic gases\n!ACROLEIN ,ug m-3 ,1000.0*(ACROLEIN[1]*1.9365*DENS[2])\n!ACRO_PRIMARY ,ug m-3 ,1000.0*(ACRO_PRIMARY*1.9365*DENS[2])\n!ALD2_PRIMARY ,ug m-3 ,1000.0*(ALD2_PRIMARY[1]*1.5188*DENS[2])\n!FORM_PRIMARY ,ug m-3 ,1000.0*(FORM_PRIMARY[1]*1.0356*DENS[2])\n!BUTADIENE13 ,ug m-3 ,1000.0*(BUTADIENE13[1]*1.8674*DENS[2])\n!HCL ,ppbV ,1000.0*HCL[1]\n!TOLUENE ,ppbV ,1000.0*TOLU[1]\n\n!Mercuric gas species\n!HG_0 ,ng/m3 ,1000.0*(HG[1]*8.3330*DENS[2]*1000.0) \n!HG_II ,ng/m3 ,1000.0*(HGIIGAS[1]*8.3330*DENS[2]*1000.0) \n\n!! Unused Gases. Presented Here for illustration. Users can uncomment\n!! them if they choose.\n!ALDX ,ppbV ,1000.0*ALDX[1]\n!IOLE ,ppbV ,1000.0*IOLE[1]\n!OLE ,ppbV ,1000.0*OLE[1]\n!PAR ,ppbV ,1000.0*PAR[1]\n!PAN ,ppbV ,1000.0*PAN[1]\n!SULF ,ppbV ,1000.0*SULF[1]\n! emitted VOCs\n!VOC ,ppbC ,1000.0* (PAR[1] +2.0*ETHA[1] +3.0*PRPA[1] +MEOH[1]\\\n! +2.0*ETH[1] +2.0*ETOH[1] +2.0*OLE[1] +3.0*ACET[1] \\\n! +7.0*TOL[1] +8.0*XYLMN[1] +6.0*BENZENE[1] \\\n! +FORM[1] +3.0*GLY[1] +4.0*KET[1] +2.0*ETHY[1] \\\n! +2.0*ALD2[1] + 4.0*IOLE[1] + 2.0*ALDX[1] \\\n! +5.0*ISOP[1] + 10.0*TERP[1]+ 10.0*NAPH[1] +10.*APIN[1])\n\n!! DMS and MSA. Users can uncomment them if they choose.\nDMS ,ppbV ,1000.0*DMS[1]\nMSA ,ppbV ,1000.0*MSA[1]\n\n!-------------------------------------------!\n!--------------- Particles -----------------!\n!-------------------------------------------!\n!! Crustal Elements\nAFEJ ,ug m-3 ,AFEJ[1]\nAALJ ,ug m-3 ,AALJ[1]\nASIJ ,ug m-3 ,ASIJ[1]\nATIJ ,ug m-3 ,ATIJ[1]\nACAJ ,ug m-3 ,ACAJ[1]\nAMGJ ,ug m-3 ,AMGJ[1]\nAKJ ,ug m-3 ,AKJ[1]\nAMNJ ,ug m-3 ,AMNJ[1]\nASOILJ ,ug m-3 ,2.20*AALJ[1]+2.49*ASIJ[1]+1.63*ACAJ[1]+2.42*AFEJ[1]+1.94*ATIJ[1]\n\n!! Non-Crustal Inorganic Particle Species\nAHPLUSIJ ,umol m-3 ,(AH3OPI[1]+AH3OPJ[1])*1.0/19.0\nANAK ,ug m-3 ,0.8373*ASEACAT[1]+0.0626*ASOIL[1]+0.0023*ACORS[1]\nAMGK ,ug m-3 ,0.0997*ASEACAT[1]+0.0170*ASOIL[1]+0.0032*ACORS[1]\nAKK ,ug m-3 ,0.0310*ASEACAT[1]+0.0242*ASOIL[1]+0.0176*ACORS[1]\nACAK ,ug m-3 ,0.0320*ASEACAT[1]+0.0838*ASOIL[1]+0.0562*ACORS[1]\nACLIJ ,ug m-3 ,ACLI[1]+ACLJ[1]\nAECIJ ,ug m-3 ,AECI[1]+AECJ[1]\nANAIJ ,ug m-3 ,ANAJ[1]+ANAI[1]\nANO3IJ ,ug m-3 ,ANO3I[1]+ANO3J[1]\nANO3K ,ug m-3 ,ANO3K[1]\nTNO3 ,ug m-3 ,2175.6*(HNO3[1]*DENS[2])+ANO3I[1]+ANO3J[1]+ANO3K[1]\nANH4IJ ,ug m-3 ,ANH4I[1]+ANH4J[1]\nANH4K ,ug m-3 ,ANH4K[1]\nASO4IJ ,ug m-3 ,ASO4I[1]+ASO4J[1]\nASO4K ,ug m-3 ,ASO4K[1]\n\n!! Organic Particle Species\nAPOCI ,ugC m-3 ,ALVPO1I[1]/1.39 + ASVPO1I[1]/1.32 + ASVPO2I[1]/1.26 \\\n +APOCI[1]\nAPOCJ ,ugC m-3 ,ALVPO1J[1]/1.39 + ASVPO1J[1]/1.32 + ASVPO2J[1]/1.26 \\\n +ASVPO3J[1]/1.21 + AIVPO1J[1]/1.17 + APOCJ[1]\nAPOCIJ ,ugC m-3 ,APOCI[0] + APOCJ[0]\n\nAPOMI ,ug m-3 ,ALVPO1I[1] + ASVPO1I[1] + ASVPO2I[1] + APOCI[1] \\\n +APNCOMI[1]\nAPOMJ ,ug m-3 ,ALVPO1J[1] + ASVPO1J[1] + ASVPO2J[1] + APOCJ[1] \\\n +ASVPO3J[1] + AIVPO1J[1] + APNCOMJ[1]\nAPOMIJ ,ug m-3 ,APOMI[0] + APOMJ[0]\n\nASOCI ,ugC m-3 ,ALVOO1I[1]/2.27 + ALVOO2I[1]/2.06 \\\n +ASVOO1I[1]/1.88 + ASVOO2I[1]/1.73\nASOCJ ,ugC m-3 ,AISO1J[1]/2.20 + AISO2J[1]/2.23 + AISO3J[1]/2.80 \\\n +AMT1J[1]/1.67 + AMT2J[1]/1.67 + AMT3J[1]/1.72 \\\n +AMT4J[1]/1.53 + AMT5J[1]/1.57 + AMT6J[1]/1.40 \\\n +AMTNO3J[1]/1.90 + AMTHYDJ[1]/1.54 \\\n +AGLYJ[1]/2.13 + ASQTJ[1]/1.52 \\\n +AORGCJ[1]/2.00 + AOLGBJ[1]/2.10 + AOLGAJ[1]/2.50 \\\n +ALVOO1J[1]/2.27 + ALVOO2J[1]/2.06 + ASVOO1J[1]/1.88 \\\n +ASVOO2J[1]/1.73 + ASVOO3J[1]/1.60 \\\n +AAVB1J[1]/2.70 + AAVB2J[1]/2.35 + AAVB3J[1]/2.17 \\\n +AAVB4J[1]/1.99 + APCSOJ[1]/2.00\nASOCIJ ,ugC m-3 ,ASOCI[0] + ASOCJ[0]\n\nASOMI ,ug m-3 ,ALVOO1I[1] + ALVOO2I[1] + ASVOO1I[1] + ASVOO2I[1] \nASOMJ ,ug m-3 ,+AISO1J[1]+ AISO2J[1] + AISO3J[1] \\\n +AMT1J[1] + AMT2J[1] + AMT3J[1] \\\n +AMT4J[1] + AMT5J[1] + AMT6J[1] \\\n +AMTNO3J[1] + AMTHYDJ[1] \\\n +AGLYJ[1] + ASQTJ[1] \\\n +AORGCJ[1] + AOLGBJ[1] + AOLGAJ[1] \\\n +ALVOO1J[1] + ALVOO2J[1] + ASVOO1J[1] \\\n +ASVOO2J[1] + ASVOO3J[1] + APCSOJ[1] \\\n +AAVB1J[1] + AAVB2J[1] + AAVB3J[1] \\\n +AAVB4J[1]\nASOMIJ ,ug m-3 ,ASOMI[0] + ASOMJ[0]\n \nAOCI ,ugC m-3 ,APOCI[0] + ASOCI[0]\nAOCJ ,ugC m-3 ,APOCJ[0] + ASOCJ[0]\n\nAOCIJ ,ugC m-3 ,APOCIJ[0] + ASOCIJ[0]\n\n\nAOMI ,ug m-3 ,APOMI[0] + ASOMI[0]\nAOMJ ,ug m-3 ,APOMJ[0] + ASOMJ[0]\n\nAOMIJ ,ug m-3 ,APOMIJ[0] + ASOMIJ[0]\n\n!!! Anthropogenic-VOC Derived Organic Aerosol\nAORGAI ,ug m-3 ,ALVOO1I[1] + ALVOO2I[1] + ASVOO1I[1] \\ \n +ASVOO2I[1]\nAORGAJ ,ug m-3 ,ALVOO1J[1] + ALVOO2J[1] \\\n +ASVOO1J[1] + ASVOO2J[1] + ASVOO3J[1] \\\n +AAVB1J[1] + AAVB2J[1] + AAVB3J[1] \\\n +AAVB4J[1] + AOLGAJ[1] + APCSOJ[1] \nAORGAIJ ,ug m-3 ,AORGAI[0] + AORGAJ[0] \n\n!!! Biogenic-VOC Derived Organic Aerosol\nAORGBIJ ,ug m-3 ,AMT1J[1] + AMT2J[1] + AMT3J[1] + AMT4J[1] \\\n +AMT5J[1] + AMT6J[1] + AMTNO3J[1] \\\n +AMTHYDJ[1] + AISO1J[1] + AISO2J[1] \\\n +AISO3J[1] + ASQTJ[1] + AOLGBJ[1] \n\n!!! Cloud-Processed SOA\nAORGCJ ,ug m-3 ,AORGCJ[1]\n!!! Remaining SOA\nAGLYJ ,ug m-3 ,AGLYJ[1]\n\n!!! OM/OC ratios\nAOMOCRAT_TOT , ,AOMIJ[0]/AOCIJ[0]\n\n!! Total PM Aggregates\nATOTI ,ug m-3 ,ASO4I[1] + ANH4I[1] + ANO3I[1] + ANAI[1] \\\n +ACLI[1] + AECI[1] + AOMI[0] + AOTHRI[1] \nATOTJ ,ug m-3 ,ASO4J[1] + ANH4J[1] + ANO3J[1] + ANAJ[1] \\\n +ACLJ[1] + AECJ[1] + AOMJ[0] + AOTHRJ[1] \\\n +AFEJ[1] + AALJ[1] + ASIJ[1] + ATIJ[1] \\\n +ACAJ[1] + AMGJ[1] + AKJ[1] + AMNJ[1] \n \nATOTK ,ug m-3 ,ASO4K[1] + ANH4K[1] + ANO3K[1] + ACLK[1] \\\n +ACORS[1] + ASOIL[1] + ASEACAT[1] \nATOTIJ ,ug m-3 ,ATOTI[0] + ATOTJ[0] \nATOTIJK ,ug m-3 ,ATOTI[0] + ATOTJ[0] + ATOTK[0]\n\n!! Unspeciated PM including non-carbon organic mass\nAUNSPEC1IJ ,ug m-3 ,ATOTIJ[0] - (ASO4IJ[0] + ANO3IJ[0] \\\n +ANH4IJ[0] + ACLIJ[0] \\\n +ANAIJ[0] + AECIJ[0] \\\n +AOCIJ[0] + ASOILJ[0]) \n!! Non-Carbon Organic Mass\nANCOMIJ ,ug m-3 ,AOMIJ[0] - AOCIJ[0]\n\n!! Unspeciated PM excluding non-carbon organic mass\nAUNSPEC2IJ ,ug m-3 ,AUNSPEC1IJ[0] - ANCOMIJ[0]\n\n!! AMS Projection of Output Concentrations\nPMAMS_CL ,ug m-3 ,ACLI[1] *FAMSAIT[3] +ACLJ[1]*FAMSACC[3]+ACLK[1] *FAMSCOR[3]\nPMAMS_NH4 ,ug m-3 ,ANH4I[1]*FAMSAIT[3]+ANH4J[1]*FAMSACC[3]+ANH4K[1]*FAMSCOR[3]\nPMAMS_NO3 ,ug m-3 ,ANO3I[1]*FAMSAIT[3]+ANO3J[1]*FAMSACC[3]+ANO3K[1]*FAMSCOR[3]\nPMAMS_OA ,ug m-3 ,AOMI[0] *FAMSAIT[3]+AOMJ[0] *FAMSACC[3]\nPMAMS_SO4 ,ug m-3 ,ASO4I[1]*FAMSAIT[3]+ASO4J[1]*FAMSACC[3]+ASO4K[1]*FAMSCOR[3]\n\n!! PM1 Cutoff Output\nPM1_TOT ,ug m-3 ,ATOTI[0]*FPM1AIT[3]+ATOTJ[0]*FPM1ACC[3]+ATOTK[0]*FPM1COR[3]\n\n!! Unused PM1 Species. Included Here for demonstration\n!PM1_EC ,ug m-3 ,AECI[1] *FPM1AIT[3] +AECJ[1] *FPM1ACC[3]\n!PM1_OC ,ugC m-3 ,AOCI[0] *FPM1AIT[3] +AOCJ[0] *FPM1ACC[3]\n!PM1_OM ,ug m-3 ,AOMI[0] *FPM1AIT[3] +AOMJ[0] *FPM1ACC[3]\n!PM1_SO4 ,ug m-3 ,ASO4I[1]*FPM1AIT[3] +ASO4J[1]*FPM1ACC[3] +ASO4K[1]*FPM1COR[3]\n!PM1_CL ,ug m-3 ,ACLI[1] *FPM1AIT[3] +ACLJ[1] *FPM1ACC[3] +ACLK[1] *FPM1COR[3]\n!PM1_NA ,ug m-3 ,ANAI[1] *FPM1AIT[3] +ANAJ[1] *FPM1ACC[3] +ANAK[0] *FPM1COR[3]\n!PM1_MG ,ug m-3 , AMGJ[1] *FPM1ACC[3] +AMGK[0] *FPM1COR[3]\n!PM1_K ,ug m-3 , AKJ[1] *FPM1ACC[3] +AKK[0] *FPM1COR[3]\n!PM1_CA ,ug m-3 , ACAJ[1] *FPM1ACC[3] +ACAK[0] *FPM1COR[3]\n!PM1_NH4 ,ug m-3 ,ANH4I[1] *FPM1AIT[3]+ANH4J[1]*FPM1ACC[3] +ANH4K[1]*FPM1COR[3]\n!PM1_NO3 ,ug m-3 ,ANO3I[1] *FPM1AIT[3]+ANO3J[1]*FPM1ACC[3] +ANO3K[1]*FPM1COR[3] \n!PM1_SOIL ,ug m-3 ,ASOILJ[0]*FPM1ACC[3]+(ASOIL[1]+ACORS[1])*FPM1COR[3]\n!PM1_UNSPEC1 ,ug m-3 ,PM1_TOT[0] - (PM1_CL[0] + PM1_EC[0]+ PM1_NA[0] + PM1_NH4[0] + \\\n! PM1_NO3[0]+ PM1_OC[0]+ PM1_SOIL[0]+ PM1_SO4[0] ) \n!PM1_UNSPCRS ,ug m-3 ,ATOTK[0] *FPM1COR[3] - (ASO4K[1]*FPM1COR[3] \\\n! +ACLK[1]*FPM1COR[3] \\\n! +ANAK[0]*FPM1COR[3] \\\n! +AMGK[0]*FPM1COR[3] \\\n! +AKK[0]*FPM1COR[3] \\\n! +ACAK[0]*FPM1COR[3] \\\n! +ANH4K[1]*FPM1COR[3] \\\n! +ANO3K[1]*FPM1COR[3]) \n \n!! PM2.5 species computed using modeled size distribution\nPM25_HP ,ug m-3 ,(AH3OPI[1]*FPM25AIT[3]+AH3OPJ[1]*FPM25ACC[3]+AH3OPK[1]*FPM25COR[3])*1.0/19.0\nPM25_CL ,ug m-3 ,ACLI[1]*FPM25AIT[3]+ACLJ[1]*FPM25ACC[3]+ACLK[1]*FPM25COR[3]\nPM25_EC ,ug m-3 ,AECI[1]*FPM25AIT[3]+AECJ[1]*FPM25ACC[3]\nPM25_NA ,ug m-3 ,ANAI[1]*FPM25AIT[3]+ANAJ[1]*FPM25ACC[3]+ANAK[0]*FPM25COR[3]\nPM25_MG ,ug m-3 , AMGJ[1]*FPM25ACC[3]+AMGK[0]*FPM25COR[3]\nPM25_K ,ug m-3 , AKJ[1] *FPM25ACC[3]+AKK[0] *FPM25COR[3]\nPM25_CA ,ug m-3 , ACAJ[1]*FPM25ACC[3]+ACAK[0]*FPM25COR[3]\nPM25_NH4 ,ug m-3 ,ANH4I[1]*FPM25AIT[3]+ANH4J[1]*FPM25ACC[3]+ANH4K[1]*FPM25COR[3]\nPM25_NO3 ,ug m-3 ,ANO3I[1]*FPM25AIT[3]+ANO3J[1]*FPM25ACC[3]+ANO3K[1]*FPM25COR[3]\nPM25_OC ,ugC m-3 ,AOCI[0] *FPM25AIT[3]+AOCJ[0]*FPM25ACC[3]\nPM25_OM ,ug m-3 ,AOMI[0] *FPM25AIT[3]+AOMJ[0]*FPM25ACC[3]\nPM25_SOIL ,ug m-3 ,ASOILJ[0]*FPM25ACC[3]+ASOIL[1]*FPM25COR[3]\nPM25_SO4 ,ug m-3 ,ASO4I[1]*FPM25AIT[3]+ASO4J[1]*FPM25ACC[3]+ASO4K[1]*FPM25COR[3]\nPM25_TOT ,ug m-3 ,ATOTI[0]*FPM25AIT[3]+ATOTJ[0]*FPM25ACC[3]+ATOTK[0]*FPM25COR[3]\nPM25_UNSPEC1 ,ug m-3 ,PM25_TOT[0]-(PM25_CL[0]+PM25_EC[0]+PM25_NA[0]+PM25_NH4[0] \\\n +PM25_NO3[0]+PM25_OC[0]+PM25_SOIL[0]+PM25_SO4[0])\nPM25_UNSPCRS ,ug m-3 ,ATOTK[0]*FPM25COR[3] - (ASO4K[1]*FPM25COR[3] \\\n +ACLK[1]*FPM25COR[3] \\\n +ANAK[0]*FPM25COR[3] \\\n +AMGK[0]*FPM25COR[3] \\\n +AKK[0]*FPM25COR[3] \\\n +ACAK[0]*FPM25COR[3] \\\n +ANH4K[1]*FPM25COR[3] \\\n +ANO3K[1]*FPM25COR[3]) \n\n\n!! Fine particle acidity (pH). pH is undefined if there is no aerosol water. \n!Do not trust predictions when hourly water is <0.01 ug m-3. FINEPHF will \n!have large negative value (-9.999E36) when pH is not to be trusted.\n!AH2OIJ ,ug m-3 ,AH2OI[1]+AH2OJ[1]\n!HPMOLAL ,mol kg-1 ,AHPLUSIJ[0]/AH2OIJ[0]*1000.0\n!ACIDITYTEMP , ,-1*LOG10(HPMOLAL[0])\n!FINEPHF , ,AH2OIJ[0]>0.01 ? ACIDITYTEMP[0] : -9.999E36\n\n!! PM10.0 and Coarse-Sized Species\nPM10 ,ug m-3 ,ATOTI[0]*FPM10AIT[3]+ATOTJ[0]*FPM10ACC[3]+ATOTK[0]*FPM10COR[3]\n\nPMC_CL ,ug m-3 ,ACLI[1]*FPM10AIT[3] +ACLJ[1]*FPM10ACC[3] +ACLK[1]*FPM10COR[3] -PM25_CL[0]\nPMC_NA ,ug m-3 ,ANAI[1]*FPM10AIT[3] +ANAJ[1]*FPM10ACC[3] +ANAK[0]*FPM10COR[3] -PM25_NA[0]\nPMC_NH4 ,ug m-3 ,ANH4I[1]*FPM10AIT[3]+ANH4J[1]*FPM10ACC[3]+ANH4K[1]*FPM10COR[3]-PM25_NH4[0]\nPMC_NO3 ,ug m-3 ,ANO3I[1]*FPM10AIT[3]+ANO3J[1]*FPM10ACC[3]+ANO3K[1]*FPM10COR[3]-PM25_NO3[0]\nPMC_SO4 ,ug m-3 ,ASO4I[1]*FPM10AIT[3]+ASO4J[1]*FPM10ACC[3]+ASO4K[1]*FPM10COR[3]-PM25_SO4[0]\nPMC_TOT ,ug m-3 ,PM10[0]-PM25_TOT[0]\n\n!! FRM PM Equivalent Calculation\n!! This section calculates the FRM applicable PM species, PMIJ_FRM and\n!! PM25_FRM. The intermediate variablse K...ANH4IJ_loss are needed to \n!! calculate the final quantities.\nK ,ppb2 ,exp(118.87-24084/TEMP2[4]-6.025*log(TEMP2[4]))\nP1 , ,exp(8763/TEMP2[4]+19.12*log(TEMP2[4])-135.94)\nP2 , ,exp(9969/TEMP2[4]+16.22*log(TEMP2[4])-122.65)\nP3 , ,exp(13875/TEMP2[4]+24.46*log(TEMP2[4])-182.61)\na , ,1-RH[0]/100\nK_prime ,ppb2 ,(P1[0]-P2[0]*a[0]+(P3[0]*a[0]*a[0]))*(a[0]^1.75)*K[0]\nsqrt_Ki ,ppb ,sqrt(RH[0]<=61 ? K[0] : K_prime[0])\nmax_NO3_loss ,ug m-3 ,745.7/TEMP2[4]*sqrt_Ki[0]\nPM25_NO3_loss ,ug m-3 ,max_NO3_loss[0]<=PM25_NO3[0] ? max_NO3_loss[0] : PM25_NO3[0]\nANO3IJ_loss ,ug m-3 ,max_NO3_loss[0]<=ANO3IJ[0] ? max_NO3_loss[0] : ANO3IJ[0]\nPM25_NH4_loss ,ug m-3 ,PM25_NO3_loss[0]*(18/62)\nANH4IJ_loss ,ug m-3 ,ANO3IJ_loss[0]*(18/62)\nPMIJ_FRM ,ug m-3 ,ATOTIJ[0]-(ANO3IJ_loss[0]+ANH4IJ_loss[0]) \\\n +0.24*(ASO4IJ[0]+ANH4IJ[0]-ANH4IJ_loss[0])+0.5\nPM25_FRM ,ug m-3 ,PM25_TOT[0]-(PM25_NO3_loss[0]+PM25_NH4_loss[0]) \\\n +0.24*(PM25_SO4[0]+PM25_NH4[0]-PM25_NH4_loss[0])+0.5\n" }, { "path": "CCTM/src/MECHS/cb6r5_ae7_aq/SpecDef_Dep_cb6r5_ae7_aq.txt", "content": "!#start YYYYJJJ\n!#end YYYYJJJ\n#layer 1\n\n/ File [1]: DRYDEP\n/ File [2]: WETDEP\n/ File [3]: METCRO2D\n/\n/new species ,units ,expression\n\nRT ,cm ,RC[3]>=0 ? RN[3]+RC[3] : RN[3]\n\n!---------------------------------------------------!\n!--------------- Gas Deposition --------------------!\n!---------------------------------------------------!\nDDEP_NO2 ,kg ha-1 ,NO2[1]\nWDEP_NO2 ,kg ha-1 ,NO2[2]\nDDEP_NO ,kg ha-1 ,NO[1]\nWDEP_NO ,kg ha-1 ,NO[2]\nDDEP_FORM\t ,kg ha-1 ,FORM[1]\nWDEP_FORM\t ,kg ha-1 ,FORM[2]\nDDEP_H2O2\t ,kg ha-1 ,H2O2[1]\nWDEP_H2O2 ,kg ha-1 ,H2O2[2]\nDDEP_N2O5 ,kg ha-1 ,N2O5[1]\nWDEP_N2O5 ,kg ha-1 ,N2O5[2]\nDDEP_HONO ,kg ha-1 ,HONO[1]\nWDEP_HONO ,kg ha-1 ,HONO[2]\nDDEP_HNO3 ,kg ha-1 ,HNO3[1]\nWDEP_HNO3 ,kg ha-1 ,HNO3[2]\nDDEP_NO3 ,kg ha-1 ,NO3[1]\nWDEP_NO3 ,kg ha-1 ,NO3[2]\nDDEP_CLNO2 ,kg ha-1 ,CLNO2[1]\nWDEP_CLNO2 ,kg ha-1 ,CLNO2[2]\nDDEP_CLNO3 ,kg ha-1 ,CLNO3[1]\nWDEP_CLNO3 ,kg ha-1 ,CLNO3[2]\nDDEP_NTR ,kg ha-1 ,NTR1[1]+NTR2[1]+INTR[1]\nWDEP_NTR ,kg ha-1 ,NTR1[2]+NTR2[2]+INTR[2]\nDDEP_PANT ,kg ha-1 ,PAN[1] + PANX[1] + OPAN[1]\nWDEP_PANT ,kg ha-1 ,PAN[2] + PANX[2] + OPAN[2]\nDDEP_NH3 ,kg ha-1 ,NH3[1]\nWDEP_NH3 ,kg ha-1 ,NH3[2]\nDDEP_SO2 ,kg ha-1 ,SO2[1]\nDDEP_O3 ,kg ha-1 ,O3[1]\nWDEP_O3 ,kg ha-1 ,O3[2]\nDDEP_PNA ,kg ha-1 ,PNA[1] \nWDEP_PNA ,kg ha-1 ,PNA[2] \n\n!---------------------------------------------------!\n!------------- Aerosol Deposition ------------------!\n!---------------------------------------------------!\nDDEP_ANO3IJ ,kg ha-1 ,ANO3I[1] + ANO3J[1]\nDDEP_ANO3K ,kg ha-1 ,ANO3K[1]\nWDEP_ANO3IJK ,kg ha-1 ,ANO3I[2] + ANO3J[2] + ANO3K[2]\nDDEP_TNO3 ,kg ha-1 ,ANO3I[1] + ANO3J[1] + ANO3K[1] + 0.984*HNO3[1] + NO3[1]\nWDEP_TNO3 ,kg ha-1 ,ANO3I[2] + ANO3J[2] + ANO3K[2] + 0.984*HNO3[2] + NO3[2]\nDDEP_ANH4IJ ,kg ha-1 ,ANH4I[1] + ANH4J[1]\nDDEP_ANH4K ,kg ha-1 ,ANH4K[1]\nWDEP_ANH4IJK ,kg ha-1 ,ANH4I[2] + ANH4J[2] + ANH4K[2]\nDDEP_AMTNO3J ,kg ha-1 ,AMTNO3J[1]\nWDEP_AMTNO3J ,kg ha-1 ,AMTNO3J[2]\nDDEP_ASO4IJ ,kg ha-1 ,ASO4I[1] + ASO4J[1]\nDDEP_ASO4K ,kg ha-1 ,ASO4K[1]\nWDEP_ASO4IJK ,kg ha-1 ,ASO4I[2] + ASO4J[2] + ASO4K[2]\nDDEP_AECIJ\t ,kg ha-1 ,AECI[1] +AECJ[1]\nDDEP_AOCIJ ,kgC ha-1 ,ALVPO1I[1]/1.39 + ASVPO1I[1]/1.32 + ASVPO2I[1]/1.26 \\\n +ALVPO1J[1]/1.39 + ASVPO1J[1]/1.32 + ASVPO2J[1]/1.26 \\\n +ASVPO3J[1]/1.21 + AIVPO1J[1]/1.17 \\\n +ALVOO1I[1]/2.27 + ALVOO2I[1]/2.06 \\\n +ASVOO1I[1]/1.88 + ASVOO2I[1]/1.73 \\\n +AISO1J[1]/2.20 + AISO2J[1]/2.23 + AISO3J[1]/2.80 \\\n +AMT1J[1]/1.67 + AMT2J[1]/1.67 + AMT3J[1]/1.72 \\\n +AMT4J[1]/1.53 + AMT5J[1]/1.57 + AMT6J[1]/1.40 \\\n +AMTNO3J[1]/1.90 + AMTHYDJ[1]/1.54 \\\n +AGLYJ[1]/2.13 + ASQTJ[1]/1.52 \\\n +AORGCJ[1]/2.00 + AOLGBJ[1]/2.10 + AOLGAJ[1]/2.50 \\\n +ALVOO1J[1]/2.27+ ALVOO2J[1]/2.06+ ASVOO1J[1]/1.88 \\\n +ASVOO2J[1]/1.73+ ASVOO3J[1]/1.60 \\\n +APCSOJ[1] /2.00+ AAVB1J[1]/2.70 + AAVB2J[1]/2.35 \\\n +AAVB3J[1]/2.17 + AAVB4J[1]/1.99 \n\n!DDEP_SSSO4J ,kg ha-1 ,0.2514*ANAJ[1]\n!DDEP_SSSO4K ,kg ha-1 ,0.2514*DDEP_ANAK[0]\n!WDEP_SSSO4JK ,kg ha-1 ,0.2514*ANAJ[2] + 0.2514*WDEP_ANAK[0]\n\n\n!-----------------------------------------------------!\n!-------- Total (Gas + Aerosol) Deposition -----------!\n!-----------------------------------------------------!\nDDEP_NHX ,kg ha-1 ,ANH4I[1] + ANH4J[1] + ANH4K[1] + 1.059*NH3[1]\nWDEP_NHX ,kg ha-1 ,ANH4I[2] + ANH4J[2] + ANH4K[2] + 1.059*NH3[2]\nWDEP_TSO4 ,kg ha-1 ,ASO4I[2] + ASO4J[2] + ASO4K[2] + 1.5*SO2[2]\n\n!! Sodium\nDDEP_ANAJ ,kg ha-1 ,ANAJ[1]\nDDEP_ANAK ,kg ha-1 ,0.8373*ASEACAT[1]+0.0626*ASOIL[1]+0.0023*ACORS[1]\nDDEP_ANAJK ,kg ha-1 ,DDEP_ANAJ[0] + DDEP_ANAK[0]\nWDEP_ANAK ,kg ha-1 ,0.8373*ASEACAT[2]+0.0626*ASOIL[2]+0.0023*ACORS[2]\nWDEP_ANAJK ,kg ha-1 ,ANAJ[2] + WDEP_ANAK[0]\nTDEP_ANAJK ,kg ha-1 ,DDEP_ANAJK[0] + WDEP_ANAJK[0]\n\n!! Chloride\nDDEP_ACLJ ,kg ha-1 ,ACLJ[1]\nDDEP_ACLK ,kg ha-1 ,ACLK[1]\nDDEP_ACLJK ,kg ha-1 ,ACLJ[1] + ACLK[1]\nWDEP_TCL ,kg ha-1 ,0.972*HCL[2]+CL2[2] + ACLJ[2] + ACLK[2] + 0.6758*HOCL[1]\nTDEP_CL ,kg ha-1 ,DDEP_ACLJK[0] + WDEP_TCL[0]\n\n!! Calcium\nDDEP_CAJ\t ,kg ha-1 ,ACAJ[1]\nWDEP_CAJ\t ,kg ha-1 ,ACAJ[2]\nDDEP_CAK ,kg ha-1 ,0.0320*ASEACAT[1]+0.0838*ASOIL[1]+0.0562*ACORS[1]\nWDEP_CAK ,kg ha-1 ,0.0320*ASEACAT[2]+0.0838*ASOIL[2]+0.0562*ACORS[2]\nDDEP_CAJK\t ,kg ha-1 ,ACAJ[1]+DDEP_CAK[0]\nWDEP_CAJK\t ,kg ha-1 ,ACAJ[2]+WDEP_CAK[0]\n\n!! Iron\nDDEP_FEJ\t ,kg ha-1 ,AFEJ[1]\nWDEP_FEJ\t ,kg ha-1 ,AFEJ[2]\n\n!! Aluminum\nDDEP_ALJ\t ,kg ha-1 ,AALJ[1]\nWDEP_ALJ ,kg ha-1 ,AALJ[2]\n\n!! Silicon\nDDEP_SIJ ,kg ha-1 ,ASIJ[1]\nWDEP_SIJ ,kg ha-1 ,ASIJ[2]\n\n!! Titanium\nDDEP_TIJ ,kg ha-1 ,ATIJ[1]\nWDEP_TIJ ,kg ha-1 ,ATIJ[2]\n\n!! Magnesium\nDDEP_MGJ ,kg ha-1 ,AMGJ[1]\nWDEP_MGJ ,kg ha-1 ,AMGJ[2]\nDDEP_MGK ,kg ha-1 ,0.0997*ASEACAT[1]+0.0170*ASOIL[1]+0.0032*ACORS[1]\nWDEP_MGK ,kg ha-1 ,0.0997*ASEACAT[2]+0.0170*ASOIL[2]+0.0032*ACORS[2]\nDDEP_MGJK ,kg ha-1 ,AMGJ[1]+DDEP_MGK[0]\nWDEP_MGJK ,kg ha-1 ,AMGJ[2]+WDEP_MGK[0]\n\n!! Potassium\nDDEP_KJ ,kg ha-1 ,AKJ[1]\nWDEP_KJ ,kg ha-1 ,AKJ[2]\nDDEP_KK ,kg ha-1 ,0.0310*ASEACAT[1]+0.0242*ASOIL[1]+0.0176*ACORS[1]\nWDEP_KK ,kg ha-1 ,0.0310*ASEACAT[2]+0.0242*ASOIL[2]+0.0176*ACORS[2]\nDDEP_KJK ,kg ha-1 ,AKJ[1]+DDEP_KK[0]\nWDEP_KJK ,kg ha-1 ,AKJ[2]+WDEP_KK[0]\n\n!! Manganese\nDDEP_MNJ ,kg ha-1 ,AMNJ[1]\nWDEP_MNJ ,kg ha-1 ,AMNJ[2]\n\n\n!---------------------------------------------------!\n!------------- Nitrogen Deposition -----------------!\n!---------------------------------------------------!\nDD_OXN_NOX ,kgN ha-1 ,0.30435*NO2[1] + 0.46667*NO[1]\nWD_OXN_NOX ,kgN ha-1 ,0.30435*NO2[2] + 0.46667*NO[2]\nDD_OXN_TNO3 ,kgN ha-1 ,0.22581*DDEP_TNO3[0]\nWD_OXN_TNO3 ,kgN ha-1 ,0.22581*WDEP_TNO3[0]\nDD_OXN_PANT ,kgN ha-1 ,0.11570*PAN[1] + 0.11570*PANX[1] + 0.11570*OPAN[1]\nWD_OXN_PANT ,kgN ha-1 ,0.11570*PAN[2] + 0.11570*PANX[2] + 0.11570*OPAN[2]\nDD_OXN_ORGN ,kgN ha-1 ,0.10770*(NTR1[1]+NTR2[1]+INTR[1])+0.06061*DDEP_AMTNO3J[0]+DD_OXN_PANT[0]\nWD_OXN_ORGN ,kgN ha-1 ,0.10770*(NTR1[2]+NTR2[2]+INTR[2])+0.06061*WDEP_AMTNO3J[0]+WD_OXN_PANT[0]\nDD_OXN_OTHR ,kgN ha-1 ,0.25926*N2O5[1] + 0.29787*HONO[1]+0.17720*PNA[1]+0.1717*CLNO2[1]+0.1436*CLNO3[1]\nWD_OXN_OTHR ,kgN ha-1 ,0.25926*N2O5[2] + 0.29787*HONO[2]+0.17720*PNA[2]+0.1717*CLNO2[2]+0.1436*CLNO3[2]\nDD_OXN_TOT ,kgN ha-1 ,DD_OXN_NOX[0] + DD_OXN_TNO3[0] + DD_OXN_ORGN[0] + DD_OXN_OTHR[0]\nWD_OXN_TOT ,kgN ha-1 ,WD_OXN_NOX[0] + WD_OXN_TNO3[0] + WD_OXN_ORGN[0] + WD_OXN_OTHR[0]\n\nTD_OXN_TOT ,kgN ha-1 ,DD_OXN_TOT[0] + WD_OXN_TOT[0]\nDD_REDN_TOT ,kgN ha-1 ,0.7777*DDEP_NHX[0]\nWD_REDN_TOT ,kgN ha-1 ,0.7777*WDEP_NHX[0]\nTD_REDN_TOT ,kgN ha-1 ,DD_REDN_TOT[0] + WD_REDN_TOT[0]\n\nDD_N_TOT ,kgN ha-1 ,DD_OXN_TOT[0] + DD_REDN_TOT[0]\nWD_N_TOT ,kgN ha-1 ,WD_OXN_TOT[0] + WD_REDN_TOT[0]\nTD_N_TOT ,kgN ha-1 ,DD_N_TOT[0] + WD_N_TOT[0]\n\n!! Nitrogen Deposition in milliequivalents Nitrogen\n!DD_OXN_TOTMEQ ,meqN m-2 ,7.14*DD_OXN_TOT[0]\n!WD_OXN_TOTMEQ ,meqN m-2 ,7.14*WD_OXN_TOT[0]\n!TD_OXN_TOTMEQ ,meqN m-2 ,DD_OXN_TOTMEQ[0] + WD_OXN_TOTMEQ[0]\n!DD_REDN_TOTMEQ ,meqN m-2 ,7.14*DD_REDN_TOT[0]\n!WD_REDN_TOTMEQ ,meqN m-2 ,7.14*WD_REDN_TOT[0]\n!TD_REDN_TOTMEQ ,meqN m-2 ,DD_REDN_TOTMEQ[0] + WD_REDN_TOTMEQ[0]\n!DD_N_TOTMEQ ,meqN m-2 ,DD_OXN_TOTMEQ[0] + DD_REDN_TOTMEQ[0]\n!WD_N_TOTMEQ ,meqN m-2 ,WD_OXN_TOTMEQ[0] + WD_REDN_TOTMEQ[0]\n!TD_N_TOTMEQ ,meqN m-2 ,DD_N_TOTMEQ[0] + WD_N_TOTMEQ[0]\n\n!-------------------------------------------------!\n!------------- Sulfur Deposition -----------------!\n!-------------------------------------------------!\nDD_S_TOT ,kgS ha-1 ,0.5*SO2[1] + 0.33333*ASO4I[1] + 0.33333*ASO4J[1] + 0.33333*ASO4K[1]\nWD_S_TOT ,kgS ha-1 ,0.33333*WDEP_TSO4[0]\nTD_S_TOT ,kgS ha-1 ,DD_S_TOT[0] + WD_S_TOT[0]\n!DD_S_SeaS ,kgS ha-1 ,0.33333*DDEP_SSSO4J[0] + 0.33333*DDEP_SSSO4K[0]\n!WD_S_SeaS ,kgS ha-1 ,0.33333*WDEP_SSSO4JK[0]\n!TD_S_SeaS ,kgS ha-1 ,DD_S_SeaS[0] + WD_S_SeaS[0]\n\n!! Sulfur Deposition in milliequivalents Sulfur\n!DD_S_TOTMEQ ,meqS m-2 ,6.24*DD_S_TOT[0]\n!WD_S_TOTMEQ ,meqS m-2 ,6.24*WD_S_TOT[0]\n!TD_S_TOTMEQ ,meqS m-2 ,DD_S_TOTMEQ[0] + WD_S_TOTMEQ[0]\n!DD_S_SeaSMEQ ,meqS m-2 ,6.24*DD_S_SeaS[0]\n!WD_S_SeaSMEQ ,meqS m-2 ,6.24*WD_S_SeaS[0]\n!TD_S_SeaSMEQ ,meqS m-2 ,DD_S_SeaSMEQ[0] + WD_S_SeaSMEQ[0]\n" }, { "path": "CCTM/src/MECHS/cb6r5_ae7_aq/SpecDef_cb6r5_ae7_aq.txt", "content": "!#start YYYYJJJ 010000\n!#end YYYYJJJ 000000\n#layer 1\n\n/\n! This Species Definition File is for Use with the COMBINE tool built for \n! post-processing CMAQ output. It is compatible with CMAQv5.2.\n! Date: May 12 2017\n\n! Output variables that begin with 'PM' represent those in which a size cut was \n! applied based on modeled aerosol mode parameters. For example, PM25_NA is all \n! sodium that falls below 2.5 um diameter. These 'PM' variables are used for \n! comparisons at IMPROVE and CSN sites.\n\n! Output variables that begin with 'PMAMS' represent the mass that would have\n! been detected by an Aerosol Mass Spectrometer.\n\n! Output variables beginning with 'A' (aside from AIR_DENS) represent a \n! combination of aerosol species in which no size cut was applied. For example, \n! ASO4IJ is the sum of i-mode and j-mode sulfate. These 'A' variables are used \n! for comparisons at CASTNet sites.\n\n! Output variables beginning with 'PMC' refer to the coarse fraction of total PM,\n! computed by summing all modes and subtracting the PM2.5 fraction. These 'PMC'\n! variables are used for comparisons at SEARCH sites.\n\n! This Species Definition File is just for use with the uncoupled, offline CMAQ,\n! model. If you are processing WRF-CMAQ results, a different Species Definition\n! file is required.\n\n/ File [1]: CMAQ conc/aconc file\n/ File [2]: METCRO3D file\n/ File [3]: ELMO/AELMO file\n/ File [4]: METCRO2D file\n/\n/new species ,units ,expression\n \n!-------------------------------------------!\n!------------- Meteorology -----------------!\n!-------------------------------------------!\nAIR_DENS ,kg m-3 ,DENS[2]\nRH ,% ,100.00*RH[3]\nSFC_TMP ,C ,(TEMP2[4]-273.15)\nPBLH ,m ,PBL[4]\nSOL_RAD ,W m-2 ,RGRND[4]\nprecip ,cm ,RC[4]>=0 ? RN[4]+RC[4] : RN[4]\nWSPD10 ,m s-1 ,WSPD10[4]\nWDIR10 ,deg ,WDIR10[4]\n\n!-------------------------------------------!\n!--------------- Gases ---------------------!\n!-------------------------------------------!\nALD2 ,ppbV ,1000.0*ALD2[1]\nBENZENE ,ppbV ,1000.0*BENZENE[1]\nCO ,ppbV ,1000.0*CO[1]\nETH ,ppbV ,1000.0*ETH[1]\nETHA ,ppbV ,1000.0*ETHA[1]\nFORM ,ppbV ,1000.0*FORM[1]\nH2O2 ,ppbV ,1000.0*H2O2[1]\nHNO3 ,ppbV ,1000.0*HNO3[1]\nHNO3_UGM3 ,ug m-3 ,1000.0*(HNO3[1]*2.1756*DENS[2])\nHONO ,ppbV ,1000.0*HONO[1]\nHOX ,ppbV ,1000.0*(OH[1]+HO2[1])\nOH ,ppbV ,1000.0*(OH[1])\nISOP ,ppbV ,1000.0*ISOP[1]\nN2O5 ,ppbV ,1000.0*N2O5[1]\nNH3 ,ppbV ,1000.0*NH3[1]\nNH3_UGM3 ,ug m-3 ,1000.0*(NH3[1]*0.5880*DENS[2])\nNHX ,ug m-3 ,1000.0*(NH3[1]*0.5880*DENS[2])+ANH4I[1]+ANH4J[1]+ANH4K[1]\nNO ,ppbV ,1000.0*NO[1]\nNO2 ,ppbV ,1000.0*NO2[1]\nNOX ,ppbV ,1000.0*(NO[1] + NO2[1])\nANO3_PPB ,ppbV ,(ANO3I[1]+ANO3J[1]+ANO3K[1])/(DENS[2]*(62.0/28.97))\nNTR ,ppbV ,1000.0*(NTR1[1]+NTR2[1]+INTR[1])\nPANS ,ppbV ,1000.0*(PAN[1]+PANX[1]+OPAN[1])\nNOY ,ppbV ,1000.0* (NO[1]+NO2[1]+NO3[1]+2*N2O5[1]+HONO[1]+HNO3[1]+PNA[1] \\\n +CRON[1]+CLNO2[1]+CLNO3[1]) \\\n +PANS[0]+NTR[0]+ANO3_PPB[0]\nO3 ,ppbV ,1000.0*O3[1]\nSO2 ,ppbV ,1000.0*SO2[1]\nSO2_UGM3 ,ug m-3 ,1000.0*(SO2[1]*2.2118*DENS[2])\nTERP ,ppbV ,1000.0*TERP[1]\nTOL ,ppbV ,1000.0*TOL[1]\nXYL ,ppbV ,1000.0*XYLMN[1]\n\n!Additional Toxic gases\n!ACROLEIN ,ug m-3 ,1000.0*(ACROLEIN[1]*1.9365*DENS[2])\n!ACRO_PRIMARY ,ug m-3 ,1000.0*(ACRO_PRIMARY*1.9365*DENS[2])\n!ALD2_PRIMARY ,ug m-3 ,1000.0*(ALD2_PRIMARY[1]*1.5188*DENS[2])\n!FORM_PRIMARY ,ug m-3 ,1000.0*(FORM_PRIMARY[1]*1.0356*DENS[2])\n!BUTADIENE13 ,ug m-3 ,1000.0*(BUTADIENE13[1]*1.8674*DENS[2])\n!HCL ,ppbV ,1000.0*HCL[1]\n!TOLUENE ,ppbV ,1000.0*TOLU[1]\n\n!Mercuric gas species\n!HG_0 ,ng/m3 ,1000.0*(HG[1]*8.3330*DENS[2]*1000.0) \n!HG_II ,ng/m3 ,1000.0*(HGIIGAS[1]*8.3330*DENS[2]*1000.0) \n\n!! Unused Gases. Presented Here for illustration. Users can uncomment\n!! them if they choose.\n!ALDX ,ppbV ,1000.0*ALDX[1]\n!IOLE ,ppbV ,1000.0*IOLE[1]\n!OLE ,ppbV ,1000.0*OLE[1]\n!PAR ,ppbV ,1000.0*PAR[1]\n!PAN ,ppbV ,1000.0*PAN[1]\n!SULF ,ppbV ,1000.0*SULF[1]\n! emitted VOCs\n!VOC ,ppbC ,1000.0* (PAR[1] +2.0*ETHA[1] +3.0*PRPA[1] +MEOH[1]\\\n! +2.0*ETH[1] +2.0*ETOH[1] +2.0*OLE[1] +3.0*ACET[1] \\\n! +7.0*TOL[1] +8.0*XYLMN[1] +6.0*BENZENE[1] \\\n! +FORM[1] +3.0*GLY[1] +4.0*KET[1] +2.0*ETHY[1] \\\n! +2.0*ALD2[1] + 4.0*IOLE[1] + 2.0*ALDX[1] \\\n! +5.0*ISOP[1] + 10.0*TERP[1]+ 10.0*NAPH[1] +10.*APIN[1])\n\n!! DMS and MSA. Users can uncomment them if they choose.\nDMS ,ppbV ,1000.0*DMS[1]\nMSA ,ppbV ,1000.0*MSA[1]\n\n!-------------------------------------------!\n!--------------- Particles -----------------!\n!-------------------------------------------!\n!! Crustal Elements\nAFEJ ,ug m-3 ,PMF_FE[3]\nAALJ ,ug m-3 ,PMF_AL[3]\nASIJ ,ug m-3 ,PMF_SI[3]\nATIJ ,ug m-3 ,PMF_TI[3]\nACAJ ,ug m-3 ,PMF_CA[3]\nAMGJ ,ug m-3 ,PMF_MG[3]\nAKJ ,ug m-3 ,PMF_K[3]\nAMNJ ,ug m-3 ,PMF_MN[3]\nASOILJ ,ug m-3 ,PMF_SOILIMPV[3]\n\n!! Non-Crustal Inorganic Particle Species\nAHPLUSIJ ,umol m-3 ,PMF_HP[3]\nANAK ,ug m-3 ,PMC_NA[3]\nAMGK ,ug m-3 ,PMC_MG[3]\nAKK ,ug m-3 ,PMC_K[3]\nACAK ,ug m-3 ,PMC_CA[3]\nACLIJ ,ug m-3 ,PMF_CL[3]\nAECIJ ,ug m-3 ,PMF_EC[3]\nANAIJ ,ug m-3 ,PMF_NA[3]\nANO3IJ ,ug m-3 ,PMF_NO3[3]\nANO3K ,ug m-3 ,PMC_NO3[3]\nTNO3 ,ug m-3 ,TNO3[3]\nANH4IJ ,ug m-3 ,PMF_NH4[3]\nANH4K ,ug m-3 ,PMC_NH4[3]\nASO4IJ ,ug m-3 ,PMF_SO4[3]\nASO4K ,ug m-3 ,PMC_SO4[3]\n\n!! Organic Particle Species\nAPOCIJ ,ugC m-3 ,PMF_POC[3]\nAPOMIJ ,ug m-3 ,PMF_POA[3]\nASOCIJ ,ugC m-3 ,PMF_SOC[3]\nASOMIJ ,ug m-3 ,PMF_SOA[3]\nAOCIJ ,ugC m-3 ,PMF_OC[3]\nAOMIJ ,ug m-3 ,PMF_OA[3]\n\n!!! Anthropogenic-VOC Derived Organic Aerosol\nAORGAIJ ,ug m-3 ,PMF_ASOA[3]\n\n!!! Biogenic-VOC Derived Organic Aerosol\nAORGBIJ ,ug m-3 ,PMF_BSOA[3]\n\n!!! Cloud-Processed SOA\nAORGCJ ,ug m-3 ,AORGCJ[1]\n\n!!! OM/OC ratios\nAOMOCRAT_TOT , ,PMF_OMOC[3]\n\n!! Total PM Aggregates\nATOTI ,ug m-3 ,PMAIT_MASS[3]\nATOTJ ,ug m-3 ,PMACC_MASS[3]\nATOTK ,ug m-3 ,PMC_MASS[3]\nATOTIJ ,ug m-3 ,PMF_MASS[3]\nATOTIJK ,ug m-3 ,PM_MASS[3]\n\n!! Unspeciated PM including non-carbon organic mass\nAUNSPEC1IJ ,ug m-3 ,PMF_UN_IMPV1[3]\n!! Non-Carbon Organic Mass\nANCOMIJ ,ug m-3 ,PMF_NCOM[3]\n\n!! Unspeciated PM excluding non-carbon organic mass\nAUNSPEC2IJ ,ug m-3 ,PMF_UN_IMPV2[3]\n\n!! AMS Projection of Output Concentrations\nPMAMS_CL ,ug m-3 ,PMAMS_CL[3]\nPMAMS_NH4 ,ug m-3 ,PMAMS_NH4[3]\nPMAMS_NO3 ,ug m-3 ,PMAMS_NO3[3]\nPMAMS_OA ,ug m-3 ,PMAMS_OA[3]\nPMAMS_SO4 ,ug m-3 ,PMAMS_SO4[3]\n\n!! PM1 Cutoff Output\nPM1_TOT ,ug m-3 ,PM1[3]\n\n!! Unused PM1 Species. Included Here for demonstration\n!PM1_EC ,ug m-3 ,PM1_EC[3]\n!PM1_OC ,ugC m-3 ,PM1_OC[3]\n!PM1_OM ,ug m-3 ,PM1_OA[3]\n!PM1_SO4 ,ug m-3 ,PM1_SO4[3]\n!PM1_CL ,ug m-3 ,PM1_CL[3]\n!PM1_NA ,ug m-3 ,PM1_NA[3]\n!PM1_MG ,ug m-3 ,PM1_MG[3]\n!PM1_K ,ug m-3 ,PM1_K[3]\n!PM1_CA ,ug m-3 ,PM1_CA[3]\n!PM1_NH4 ,ug m-3 ,PM1_NH4[3]\n!PM1_NO3 ,ug m-3 ,PM1_NO3[3]\n!PM1_SOIL ,ug m-3 ,PM1_SOIL[3]\n!PM1_UNSPEC1 ,ug m-3 ,PM1_UNSP1[3]\n!PM1_UNSPCRS ,ug m-3 ,PM1_UNSPCRS[3]\n\n!! PM2.5 species computed using modeled size distribution\nPM25_HP ,ug m-3 ,PM25_HP[3]\nPM25_CL ,ug m-3 ,PM25_CL[3] \nPM25_EC ,ug m-3 ,PM25_EC[3] \nPM25_NA ,ug m-3 ,PM25_NA[3] \nPM25_MG ,ug m-3 ,PM25_MG[3] \nPM25_K ,ug m-3 ,PM25_K[3] \nPM25_CA ,ug m-3 ,PM25_CA[3] \nPM25_NH4 ,ug m-3 ,PM25_NH4[3] \nPM25_NO3 ,ug m-3 ,PM25_NO3[3] \nPM25_OC ,ugC m-3 ,PM25_OC[3] \nPM25_OM ,ug m-3 ,PM25_OA[3] \nPM25_SOIL ,ug m-3 ,PM25_SOIL[3] \nPM25_SO4 ,ug m-3 ,PM25_SO4[3] \nPM25_TOT ,ug m-3 ,PM25[3] \nPM25_UNSPEC1 ,ug m-3 ,PM25_UNSP1[3] \nPM25_UNSPCRS ,ug m-3 ,PM25_UNSPCRS[3] \n \n\n!! Fine particle acidity (pH). pH is undefined if there is no aerosol water. \n!Do not trust predictions when hourly water is <0.01 ug m-3. FINEPHF will \n!have large negative value (-9.999E36) when pH is not to be trusted.\n!AH2OIJ ,ug m-3 ,AH2OI[1]+AH2OJ[1]\n!HPMOLAL ,mol kg-1 ,AHPLUSIJ[0]/AH2OIJ[0]*1000.0\n!ACIDITYTEMP , ,-1*LOG10(HPMOLAL[0])\n!FINEPHF , ,AH2OIJ[0]>0.01 ? ACIDITYTEMP[0] : -9.999E36\n\n!! PM10.0 and Coarse-Sized Species\nPM10 ,ug m-3 ,PM10[3]\n \nPMC_CL ,ug m-3 ,PM25TO10_CL[3]\nPMC_NA ,ug m-3 ,PM25TO10_NA[3]\nPMC_NH4 ,ug m-3 ,PM25TO10_NH4[3] \nPMC_NO3 ,ug m-3 ,PM25TO10_NO3[3] \nPMC_SO4 ,ug m-3 ,PM25TO10_SO4[3] \nPMC_TOT ,ug m-3 ,PM25TO10[3] \n \n!! FRM PM Equivalent Calculation\nPMIJ_FRM ,ug m-3 ,PMF_FRM[3]\nPM25_FRM ,ug m-3 ,PM25_FRM[3]\n" }, { "path": "CCTM/src/MECHS/cb6r5_ae7_aq/mech_cb6r5_ae7_aq.def", "content": "!CB6r3 for CMAQ\n! created for CMAQv5.2 and released in June 2017\n! documented in https://www.epa.gov/cmaq\n! Changes made for CMAQv5.3:\n! For SE US study with Ng Group, Gatech (HOT Pye 2017):\n! Remove TRPRXN formation from NO3 reactions\n! Split APIN from other monoterpenes\n! Add MTNO3 formation following Pye et al. 2015 (from SAPRC07tic implementation)\n! Update TRPRXN SOA yields in SOA_DEFN.F\n! Documentation in Xu et al. 2018 ACPD: https://doi.org/10.5194/acp-2017-1109\n! 06-19-18 G.Sarwar\n! updated \n! 080118 DJL\n! 1. Modified chlorine reactions ( to ) to match CB6r2, mimic\n! similar reactions in CB6r3, or updated to IUPAC\n! 2. Added new species, CLNO3 and reactions of CLNO3\n! 3. New heterogeneous reactions ( and ) from\n! hemispheric halogen chemical mechanism\n! 4. implemented temperature and pressure-dependent CS/QY for CLNO2\n! 040319 HOT Pye: IEPOX uptake now consumes inorganic sulfate\n! 2-9-21 G Sarwar, added a reaction for CB6r5 and updated many rate constants and some yeilds following Ramboll Report to TCEQ (07/30/2020)\n! 4-29-21 G Sarwar, added heterogeneous hydrolysis of ClNO3 on fine-mode aerosol ()\n! 3-3-22 G Sarwar, DMS chemistry (DMS1-DMS4)\n!---------------------------------\nCB6R5_AE7_AQ\n\nREACTIONS[CM] =\n\n NO2 = NO + O # 1.0/;\n O + O2 + M = O3 + M # 6.00E-34^-2.6;\n O3 + NO = NO2 # 2.07E-12@1400;\n O + NO = NO2 # 1.00E-31^-1.6 & 5.00E-11^0.30 &0.85 &0.84;\n O + NO2 = NO # 5.10E-12@-198;\n O + NO2 = NO3 # 1.30E-31^-1.5 & 2.30E-11^0.24 &0.6 &1.03;\n O + O3 = # 8.00E-12@2060;\n O3 = O # 1.0/;\n O3 = O1D # 1.0/;\n O1D + M = O + M # 2.23E-11@-115;\n O1D + H2O = 2.0*OH # 2.14E-10;\n O3 + OH = HO2 # 1.70E-12@940;\n O3 + HO2 = OH # 2.03E-16^4.57@-693;\n OH + O = HO2 # 2.40E-11@-110;\n HO2 + O = OH # 3.00E-11@-200;\n OH + OH = O # 6.20E-14^2.6@-945;\n OH + OH = H2O2 # 9.00E-31^-3.2 & 3.90E-11^-0.47 &0.42 &1.23;\n OH + HO2 = # 4.80E-11@-250;\n HO2 + HO2 = H2O2 %3 # 2.20E-13@-600 & 1.90E-33@-980;\n HO2 + HO2 + H2O = H2O2 %3 # 3.08E-34@-2800 & 2.66E-54@-3180;\n H2O2 = 2.0*OH # 1.0/;\n H2O2 + OH = HO2 # 1.80E-12;\n H2O2 + O = OH + HO2 # 1.40E-12@2000;\n NO + NO + O2 = 2.0*NO2 # 4.25E-39@-664;\n HO2 + NO = OH + NO2 # 3.45E-12@-270;\n NO2 + O3 = NO3 # 1.40E-13@2470;\n NO3 = NO2 + O # 1.0/;\n NO3 = NO # 1.0/;\n NO3 + NO = 2.0*NO2 # 1.80E-11@-110;\n NO3 + NO2 = NO + NO2 # 4.50E-14@1260;\n NO3 + O = NO2 # 1.70E-11;\n NO3 + OH = HO2 + NO2 # 2.00E-11;\n NO3 + HO2 = OH + NO2 # 4.00E-12;\n NO3 + O3 = NO2 # 1.00E-17;\n NO3 + NO3 = 2.0*NO2 # 8.50E-13@2450;\n NO3 + NO2 = N2O5 # 3.60E-30^-4.1 & 1.90E-12^0.2 &0.35 &1.33;\n N2O5 = NO3 + NO2 # 1.30E-3^-3.5@11000 & 9.70E+14^0.1@11080 &0.35 &1.33;\n N2O5 = NO2 + NO3 # 1.0/;\n N2O5 + H2O = 2.0*HNO3 # 1.00E-22;\n NO + OH = HONO # 7.40E-31^-2.4 & 3.30E-11^-0.3 &0.81 &0.87;\n NO + NO2 + H2O = 2.0*HONO # 5.00E-40;\n HONO + HONO = NO + NO2 # 1.00E-20;\n HONO = NO + OH # 1.0/;\n HONO + OH = NO2 # 2.50E-12@-260;\n NO2 + OH = HNO3 # 1.80E-30^-3 & 2.80E-11 &0.6 &1;\n HNO3 + OH = NO3 %2 # 2.40E-14@-460 & 2.70E-17@-2199 & 6.50E-34@-1335;\n HNO3 = OH + NO2 # 1.0/;\n HO2 + NO2 = PNA # 1.40E-31^-3.1 & 4.00E-12 &0.4 &1.26;\n PNA = HO2 + NO2 # 4.10E-5@10650 & 6.00E+15@11170 &0.4 &1.26;\n PNA = 0.59*HO2 + 0.59*NO2 + 0.41*OH + 0.41*NO3 # 1.0/;\n PNA + OH = NO2 # 3.20E-13@-690;\n! Added SULRXN to SO2+OH\n SO2 + OH = SULF + HO2 + SULRXN # 2.80E-31^-2.6 & 2.00E-12 &0.53 &1.1;\n C2O3 + NO = NO2 + MEO2 + RO2 # 7.50E-12@-290;\n C2O3 + NO2 = PAN # 3.61E-28^-6.87 & 1.24E-11^-1.105 &0.3 &1.41;\n PAN = NO2 + C2O3 # 1.10E-5@10100 & 1.90E+17@14100 &0.3 &1.41;\n PAN = 0.6*NO2 + 0.6*C2O3 + 0.4*NO3 + 0.4*MEO2 +0.4*RO2 #1.0/;\n C2O3 + HO2 = 0.37*PACD + 0.13*AACD + 0.13*O3 + 0.5*MEO2 + 0.5*RO2\n + 0.50*OH # 3.14E-12@-580;\n C2O3 + RO2 = MEO2 # 4.40E-13@-1070;\n C2O3 + C2O3 = 2.0*MEO2 + 2.0*RO2 # 2.90E-12@-500;\n C2O3 + CXO3 = MEO2 + ALD2 + XO2H + 2.0*RO2 # 1.00E+0*K;\n CXO3 + NO = NO2 + ALD2 + XO2H + RO2 # 6.70E-12@-340;\n CXO3 + NO2 = PANX # 8.4E-1*K;\n PANX = NO2 + CXO3 # 8.4E-1*K;\n PANX = 0.6*NO2 +0.6*CXO3 +0.4*NO3 +0.4*ALD2 +0.4*XO2H +0.4*RO2 \n #1.0/;\n CXO3 + HO2 = 0.37*PACD + 0.13*AACD + 0.13*O3 + 0.5*OH + 0.5*MEO2\n + 0.5*RO2 # 1.00E+0*K;\n CXO3 + RO2 = MEO2 # 1.00E+0*K;\n CXO3 + CXO3 = 2.0*MEO2 + 2.0*RO2 # 1.00E+0*K;\n RO2 + NO = NO # 2.40E-12@-360;\n RO2 + HO2 = HO2 # 4.80E-13@-800;\n RO2 + RO2 = # 6.50E-14@-500;\n MEO2 + NO = FORM + HO2 + NO2 # 2.30E-12@-360;\n MEO2 + HO2 = 0.9*MEPX + 0.1*FORM # 3.80E-13@-780;\n MEO2 + C2O3 = FORM + 0.9*HO2 + 0.9*MEO2 + 0.1*AACD +0.9*RO2 # 2.E-12@-500;\n MEO2 + RO2 = 0.685*FORM + 0.315*MEOH + 0.37*HO2 + RO2 # 1.0*K;\n XO2H + NO = NO2 + HO2 # 2.70E-12@-360;\n XO2H + HO2 = ROOH # 6.80E-13@-800;\n XO2H + C2O3 = 0.8*HO2 + 0.8*MEO2 + 0.2*AACD + 0.8*RO2 # 1.0*K;\n XO2H + RO2 = 0.6*HO2 + RO2 # 1.00E+0*K;\n XO2 + NO = NO2 # 1.00E+0*K;\n XO2 + HO2 = ROOH # 1.00E+0*K;\n XO2 + C2O3 = 0.8*MEO2 + 0.2*AACD + 0.8*RO2 # 1.0*K;\n XO2 + RO2 = RO2 # 1.00E+0*K;\n XO2N + NO = 0.5*NTR1 + 0.5*NTR2 # 1.00E+0*K;\n XO2N + HO2 = ROOH # 1.00E+0*K;\n XO2N + C2O3 = 0.8*HO2 + 0.8*MEO2 + 0.2*AACD + 0.8*RO2 # 1.0*K;\n XO2N + RO2 = RO2 # 1.00E+0*K;\n MEPX + OH = 0.6*MEO2 + 0.6*RO2 + 0.4*FORM + 0.4*OH # 5.30E-12@-190;\n MEPX = MEO2 + RO2 + OH # 1.0/;\n ROOH + OH = 0.54*XO2H + 0.06*XO2N + 0.6*RO2 + 0.4*OH # 5.30E-12@-190;\n ROOH = HO2 + OH # 1.0/;\n NTR1 + OH = NTR2 # 2.00E-12;\n NTR1 = NO2 # 1.0/;\n!BK NTR1 = NO2 # 0.0/;\n!BK NTR1 = NO2 # 0.0/;\n FACD + OH = HO2 # 4.50E-13;\n AACD + OH = MEO2 + RO2 # 4.00E-14@-850;\n PACD + OH = C2O3 # 5.30E-12@-190;\n FORM + OH = HO2 + CO # 5.40E-12@-135;\n FORM = 2.0*HO2 + CO # 1.0/;\n FORM = CO # 1.0/;\n FORM + O = OH + HO2 + CO # 3.40E-11@1600;\n FORM + NO3 = HNO3 + HO2 + CO # 5.50E-16;\n FORM + HO2 = HCO3 # 9.70E-15@-625;\n HCO3 = FORM + HO2 # 2.40E+12@7000;\n HCO3 + NO = FACD + NO2 + HO2 # 5.60E-12;\n HCO3 + HO2 = 0.5*MEPX + 0.5*FACD + 0.2*OH + 0.2*HO2 # 5.60E-15@-2300;\n ALD2 + O = C2O3 + OH # 1.80E-11@1100;\n ALD2 + OH = C2O3 # 4.70E-12@-345;\n ALD2 + NO3 = C2O3 + HNO3 # 1.40E-12@1860;\n ALD2 = MEO2 + RO2 + CO + HO2 # 1.0/;\n ALDX + O = CXO3 + OH # 1.30E-11@870;\n ALDX + OH = CXO3 # 4.90E-12@-405;\n ALDX + NO3 = CXO3 + HNO3 # 6.30E-15;\n ALDX = ALD2 + XO2H + RO2 + CO + HO2 # 1.0/;\n GLYD + OH = 0.2*GLY + 0.2*HO2 + 0.8*C2O3 # 8.00E-12;\n GLYD = 0.74*FORM + 0.89*CO + 1.4*HO2 + 0.15*MEOH + 0.19*OH + 0.11*GLY \n + 0.11*XO2H + 0.11*RO2 # 1.0/;\n GLYD + NO3 = HNO3 + C2O3 # 1.00E+0*K;\n GLY + OH = 1.8*CO + 0.2*XO2 + 0.2*RO2 + HO2 # 3.10E-12@-340;\n GLY = 2.0*HO2 + 2.0*CO # 1.0/;\n GLY + NO3 = HNO3 + 1.5*CO + 0.5*XO2 + 0.5*RO2 + HO2 # 4.00E-16;\n MGLY = C2O3 + HO2 + CO # 1.0/;\n MGLY + NO3 = HNO3 + C2O3 + XO2 + RO2 # 5.00E-16;\n MGLY + OH = C2O3 + CO # 1.90E-12@-575;\n H2 + OH = HO2 # 7.70E-12@2100;\n CO + OH = HO2 %3 # 1.44E-13@0.0 &3.43E-33@0.0;\n CH4 + OH = MEO2 + RO2 # 1.85E-12@1690;\n ETHA + OH = 0.991*ALD2 + 0.991*XO2H + 0.009*XO2N + RO2 # 6.90E-12@1000;\n MEOH + OH = FORM + HO2 # 2.85E-12@345;\n ETOH + OH = 0.95*ALD2 + 0.9*HO2 + 0.1*XO2H + 0.1*RO2 + 0.078*FORM \n + 0.011*GLYD # 3.00E-12@-20;\n KET = 0.5*ALD2 + 0.5*C2O3 + 0.5*XO2H + 0.5*CXO3 + 0.5*MEO2 + RO2 \n -2.5*PAR # 1.0/;\n ACET = 0.38*CO + 1.38*MEO2 + 1.38*RO2 + 0.62*C2O3 # 1.0/;\n ACET + OH = FORM + C2O3 + XO2 + RO2 # 1.41E-12@620.6;\n PRPA + OH = XPRP # 7.60E-12@585;\n PAR + OH = XPAR # 8.10E-13;\n ROR = 0.2*KET + 0.42*ACET + 0.74*ALD2 + 0.37*ALDX + 0.04*XO2N \n +0.94*XO2H + 0.98*RO2 + 0.02*ROR -2.7*PAR # 5.70E+12@5780;\n ROR + O2 = KET + HO2 # 1.50E-14@200;\n ROR + NO2 = NTR1 # 8.60E-12@-400;\n ETHY + OH = 0.7*GLY + 0.7*OH + 0.3*FACD + 0.3*CO +0.3*HO2 \n # 5.E-30^-1.5 & 1.00E-12 &0.37 &1.3;\n ETH + O = FORM + HO2 + CO + 0.7*XO2H + 0.7*RO2 + 0.3*OH # 1.04E-11@792;\n ETH + OH = XO2H + RO2 + 1.56*FORM + 0.22*GLYD \n # 8.60E-29^-3.1 & 9.00E-12^-0.85 &0.48 &1.15;\n ETH + O3 = FORM + 0.35*CO + 0.27*HO2 + 0.17*OH +0.42*FACD #6.82E-15@2500;\n ETH + NO3 = 0.5*NO2 + 0.5*NTR1 + 0.5*XO2H + 0.5*XO2 + RO2 + 1.125*FORM \n # 3.30E-12@2880;\n OLE + O = 0.2*ALD2 + 0.3*ALDX + 0.1*HO2 + 0.2*XO2H + 0.2*CO + 0.2*FORM \n + 0.01*XO2N + 0.21*RO2 + 0.2*PAR + 0.1*OH # 1.00E-11@280;\n OLE + OH = 0.781*FORM + 0.488*ALD2 + 0.488*ALDX + 0.976*XO2H + 0.195*XO2\n + 0.024*XO2N + 1.195*RO2 -0.73*PAR # 8.E-27^-3.5&3.00E-11^-1 &0.5 &1.13; \n OLE + O3 = 0.295*ALD2 + 0.555*FORM + 0.27*ALDX + 0.15*XO2H + 0.15*RO2 \n + 0.334*OH + 0.08*HO2 + 0.378*CO + 0.075*GLY + 0.075*MGLY \n + 0.09*FACD + 0.13*AACD + 0.04*H2O2 -0.79*PAR # 5.50E-15@1880;\n OLE + NO3 = 0.5*NO2 + 0.5*NTR1 + 0.48*XO2 + 0.48*XO2H + 0.04*XO2N \n + RO2 + 0.5*FORM + 0.25*ALD2 + 0.375*ALDX -1.0*PAR # 4.60E-13@1155;\n IOLE + O = 1.24*ALD2 + 0.66*ALDX + 0.1*XO2H + 0.1*RO2 + 0.1*CO + 0.1*PAR \n # 2.30E-11;\n IOLE + OH = 1.3*ALD2 + 0.7*ALDX + XO2H + RO2 # 1.05E-11@-519;\n IOLE + O3 = 0.732*ALD2 + 0.442*ALDX + 0.128*FORM + 0.245*CO + 0.5*OH \n + 0.3*XO2H + 0.3*RO2 + 0.24*GLY + 0.06*MGLY + 0.29*PAR \n + 0.08*AACD + 0.08*H2O2 # 4.70E-15@1013;\n IOLE + NO3 = 0.5*NO2 + 0.5*NTR1 + 0.48*XO2 + 0.48*XO2H + 0.04*XO2N \n + RO2 + 0.5*ALD2 + 0.625*ALDX + PAR # 3.70E-13;\n! added ISOPRXN to ISOP+OH\n ISOP + OH = ISO2 + RO2 + ISOPRXN # 2.70E-11@-390;\n ISOP + O = 0.75*ISPD + 0.5*FORM + 0.25*XO2 + 0.25*RO2 + 0.25*HO2 \n + 0.25*CXO3 + 0.25*PAR # 3.00E-11;\n ISO2 + NO = 0.1*INTR + 0.9*NO2 + 0.673*FORM + 0.9*ISPD + 0.818*HO2 \n + 0.082*XO2H + 0.082*RO2 # 2.39E-12@-365;\n ISO2 + HO2 = 0.88*ISPX + 0.12*OH + 0.12*HO2 + 0.12*FORM + 0.12*ISPD \n # 7.43E-13@-700;\n ISO2 + C2O3 = 0.598*FORM + 1.0*ISPD + 0.728*HO2 + 0.072*XO2H + 0.8*MEO2 \n + 0.2*AACD + 0.872*RO2 # 1.00E+0*K;\n ISO2 + RO2 = 0.598*FORM + 1.0*ISPD + 0.728*HO2 + 0.072*XO2H + 1.072*RO2 \n # 1.0*K;\n ISO2 = HO2 + HPLD # 3.30E+9@8300;\n ISOP + O3 = 0.6*FORM + 0.65*ISPD + 0.15*ALDX + 0.2*CXO3 + 0.35*PAR \n + 0.266*OH + 0.2*XO2 + 0.2*RO2 + 0.066*HO2 + 0.066*CO # 1.03E-14@1995;\n ISOP + NO3 = 0.35*NO2 + 0.65*NTR2 + 0.64*XO2H + 0.33*XO2 + 0.03*XO2N \n + RO2 + 0.35*FORM + 0.35*ISPD + ISOPRXN # 3.03E-12@448;\n ISPD + OH = 0.022*XO2N + 0.521*XO2 + 0.115*MGLY + 0.115*MEO2 \n + 0.269*GLYD + 0.269*C2O3 + 0.457*OPO3 + 0.117*PAR + 0.137*ACET\n + 0.137*CO + 0.137*HO2 + 0.658*RO2 # 5.58E-12@-511;\n ISPD + O3 = 0.04*ALD2 + 0.231*FORM + 0.531*MGLY + 0.17*GLY + 0.17*ACET \n + 0.543*CO + 0.461*OH + 0.15*FACD + 0.398*HO2 + 0.143*C2O3 # 3.88E-15@1770;\n ISPD + NO3 = 0.717*HNO3 + 0.142*NTR2 + 0.142*NO2 + 0.142*XO2 \n + 0.142*XO2H + 0.113*GLYD + 0.113*MGLY + 0.717*PAR \n + 0.717*CXO3 + 0.284*RO2 # 4.10E-12@1860;\n ISPD = 0.76*HO2 + 0.34*XO2H + 0.16*XO2 + 0.34*MEO2 + 0.208*C2O3 \n + 0.26*FORM + 0.24*OLE + 0.24*PAR + 0.17*ACET + 0.128*GLYD \n + 0.84*RO2 # 1.0/;\n ISPX + OH = 0.904*EPOX + 0.933*OH + 0.067*ISO2 + 0.067*RO2 + 0.029*IOLE \n + 0.029*ALDX # 2.23E-11@-372;\n HPLD = OH + ISPD # 1.0/;\n HPLD + NO3 = HNO3 + ISPD # 6.00E-12@1860;\n EPOX + OH = EPX2 + RO2 # 5.78E-11@400;\n EPX2 + HO2 = 0.275*GLYD + 0.275*GLY + 0.275*MGLY + 1.125*OH + 0.825*HO2 \n + 0.375*FORM + 0.074*FACD + 0.251*CO + 2.175*PAR # 7.43E-13@-700;\n EPX2 + NO = 0.275*GLYD + 0.275*GLY + 0.275*MGLY + 0.125*OH + 0.825*HO2 \n + 0.375*FORM + NO2 + 0.251*CO + 2.175*PAR # 2.39E-12@-365;\n EPX2 + C2O3 = 0.22*GLYD + 0.22*GLY + 0.22*MGLY + 0.1*OH + 0.66*HO2 \n + 0.3*FORM + 0.2*CO +1.74*PAR + 0.8*MEO2 + 0.2*AACD +0.8*RO2 # 1.0*K;\n EPX2 + RO2 = 0.275*GLYD + 0.275*GLY + 0.275*MGLY + 0.125*OH + 0.825*HO2 \n + 0.375*FORM + 0.251*CO + 2.175*PAR + RO2 # 1.0*K;\n INTR + OH = 0.63*XO2 + 0.37*XO2H + RO2 + 0.444*NO2 + 0.185*NO3 \n + 0.104*INTR + 0.592*FORM + 0.331*GLYD + 0.185*FACD + 2.7*PAR \n + 0.098*OLE + 0.078*ALDX + 0.266*NTR2 # 3.10E-11;\n! added TRPRXN to TERP+ O, OH, O3 and NO3\n TERP + O = 0.15*ALDX + 5.12*PAR + TRPRXN # 3.60E-11;\n TERP + OH = 0.75*XO2H + 0.5*XO2 + 0.25*XO2N + 1.5*RO2 + 0.28*FORM \n + 1.66*PAR + 0.47*ALDX + TRPRXN # 1.50E-11@-449;\n TERP + O3 = 0.57*OH + 0.07*XO2H + 0.69*XO2 + 0.18*XO2N + 0.94*RO2\n + 0.24*FORM + 0.001*CO + 7.0*PAR + 0.21*ALDX + 0.39*CXO3 \n + TRPRXN # 1.20E-15@821;\n TERP + NO3 = 0.47*NO2 + 0.28*XO2H + 0.75*XO2 + 0.25*XO2N + 1.28*RO2 \n + 0.47*ALDX + 0.53*NTR2 + 1.0*TERPNRO2 # 3.70E-12@-175;\n! Separate APIN (alpha-pinene)\n APIN + O = 0.15*ALDX + 5.12*PAR + TRPRXN # 3.60E-11;\n APIN + OH = 0.75*XO2H + 0.5*XO2 + 0.25*XO2N + 1.5*RO2 + 0.28*FORM \n + 1.66*PAR + 0.47*ALDX + TRPRXN # 1.50E-11@-449;\n APIN + O3 = 0.57*OH + 0.07*XO2H + 0.69*XO2 + 0.18*XO2N + 0.94*RO2\n + 0.24*FORM + 0.001*CO + 7.0*PAR + 0.21*ALDX + 0.39*CXO3 \n + TRPRXN # 1.20E-15@821;\n APIN + NO3 = 0.47*NO2 + 0.28*XO2H + 0.75*XO2 + 0.25*XO2N + 1.28*RO2 \n + 0.47*ALDX + 0.53*NTR2 # 3.70E-12@-175;\n! added BENZRO2 as tracer for SOA products from BENZENE - used later to account\n! for high vs. low NOx influence on SOA\n BENZENE + OH = 0.53*CRES + 0.352*BZO2 + 0.352*RO2 + 0.118*OPEN + 0.118*OH \n + 0.53*HO2 + BENZRO2 # 2.30E-12@190;\n BZO2 + NO = 0.918*NO2 + 0.082*NTR2 + 0.918*GLY + 0.918*OPEN + 0.918*HO2 \n # 2.70E-12@-360;\n BZO2 + C2O3 = GLY + OPEN + HO2 + MEO2 + RO2 # 1.0*K;\n BZO2 + HO2 = # 1.90E-13@-1300;\n BZO2 + RO2 = GLY + OPEN + HO2 + RO2 # 1.0*K;\n! added TOLRO2 tracer for SOA production - used at end of mechanism file to \n! account for low vs. high NOx dependance of SOA precursors (TOLRXN)\n TOL + OH = 0.18*CRES + 0.65*TO2 + 0.72*RO2 + 0.1*OPEN + 0.1*OH \n + 0.07*XO2H + 0.18*HO2 + TOLRO2 # 1.80E-12@-340;\n TO2 + NO = 0.86*NO2 + 0.14*NTR2 + 0.417*GLY + 0.443*MGLY + 0.66*OPEN \n + 0.2*XOPN + 0.86*HO2 # 2.70E-12@-360;\n TO2 + C2O3 = 0.48*GLY + 0.52*MGLY + 0.77*OPEN + 0.23*XOPN + HO2 + MEO2 \n + RO2 # 1.0*K;\n TO2 + HO2 = # 1.90E-13@-1300;\n TO2 + RO2 = 0.48*GLY + 0.52*MGLY + 0.77*OPEN + 0.23*XOPN + HO2 + RO2 \n # 1.0*K;\n! added XYLRO2 tracer for SOA production - used at end of mechanism file to \n! account for low vs. high NOx dependance of SOA precursors\n XYLMN + OH = 0.155*CRES + 0.544*XLO2 + 0.602*RO2 + 0.244*XOPN + 0.244*OH \n + 0.058*XO2H + 0.155*HO2 + XYLRO2 # 1.85E-11;\n NAPH + OH = 0.155*CRES + 0.544*XLO2 + 0.602*RO2 + 0.244*XOPN + 0.244*OH \n + 0.058*XO2H + 0.155*HO2 + PAHRO2 # 1.85E-11;\n XLO2 + NO = 0.86*NO2 + 0.14*NTR2 + 0.221*GLY + 0.675*MGLY + 0.3*OPEN \n + 0.56*XOPN + 0.86*HO2 # 2.70E-12@-360;\n XLO2 + HO2 = # 1.90E-13@-1300;\n XLO2 + C2O3 = 0.26*GLY + 0.77*MGLY + 0.35*OPEN + 0.65*XOPN + HO2 + MEO2 \n + RO2 # 1.0*K;\n XLO2 + RO2 = 0.26*GLY + 0.77*MGLY + 0.35*OPEN + 0.65*XOPN + HO2 + RO2 \n # 1.0*K;\n CRES + OH = 0.025*GLY + 0.025*OPEN + HO2 + 0.2*CRO + 0.732*CAT1 \n + 0.02*XO2N + 0.02*RO2 # 1.70E-12@-950;\n CRES + NO3 = 0.3*CRO + HNO3 + 0.48*XO2 + 0.12*XO2H + 0.24*GLY \n + 0.24*MGLY + 0.48*OPO3 + 0.1*XO2N + 0.7*RO2 # 1.40E-11;\n CRO + NO2 = CRON # 2.10E-12;\n CRO + HO2 = CRES # 5.50E-12;\n CRON + OH = NTR2 + 0.5*CRO # 1.53E-12;\n CRON + NO3 = NTR2 + 0.5*CRO + HNO3 # 3.80E-12;\n CRON = HONO + HO2 + FORM + OPEN # 1.0/;\n XOPN = 0.4*GLY + XO2H + 0.7*HO2 + 0.7*CO + 0.3*C2O3 #0.05/;\n XOPN + OH = MGLY + 0.4*GLY + 2.0*XO2H + 2.0*RO2 # 9.00E-11;\n XOPN + O3 = 1.2*MGLY + 0.5*OH + 0.6*C2O3 + 0.1*ALD2 + 0.5*CO + 0.3*XO2H \n + 0.3*RO2 # 1.08E-16@500;\n XOPN + NO3 = 0.5*NO2 + 0.5*NTR2 + 0.45*XO2H + 0.45*XO2 + 0.1*XO2N + RO2 \n + 0.25*OPEN + 0.25*MGLY # 3.00E-12;\n OPEN = OPO3 + HO2 + CO # 0.028/;\n OPEN + OH = 0.6*OPO3 + 0.4*XO2H + 0.4*RO2 + 0.4*GLY # 4.40E-11;\n OPEN + O3 = 1.4*GLY + 0.24*MGLY + 0.5*OH + 0.12*C2O3 + 0.08*FORM \n + 0.02*ALD2 + 1.98*CO + 0.56*HO2 # 5.40E-17@500;\n OPEN + NO3 = OPO3 + HNO3 # 3.80E-12;\n CAT1 + OH = 0.14*FORM + 0.2*HO2 + 0.5*CRO # 5.00E-11;\n CAT1 + NO3 = CRO + HNO3 # 1.70E-10;\n OPO3 + NO = NO2 + 0.5*GLY + 0.5*CO + 0.8*HO2 + 0.2*CXO3 # 1.00E+0*K;\n OPO3 + NO2 = OPAN # 1.00E+0*K;\n OPAN = OPO3 + NO2 # 1.00E+0*K;\n OPO3 + HO2 = 0.37*PACD + 0.13*AACD + 0.13*O3 + 0.5*OH + 0.5*MEO2\n + 0.5*RO2 # 1.00E+0*K;\n OPO3 + C2O3 = MEO2 + XO2 + ALDX + 2.0*RO2 # 1.00E+0*K;\n OPO3 + RO2 = 0.8*XO2H + 0.8*ALDX + 1.8*RO2 + 0.2*AACD # 1.00E+0*K;\n OPAN + OH = 0.5*NO2 + 0.5*GLY + CO + 0.5*NTR2 # 3.60E-11;\n PANX + OH = ALD2 + NO2 # 3.00E-12;\n!BK NTR2 = HNO3 # 2.30E-5;\n ECH4 + OH = MEO2 + RO2 # 1.85E-12@1690;\n XPRP = XO2N + RO2 # 2.37E-21 & 4.07E-01^-8.0 &0.41 &1.0;\n XPRP = 0.732*ACET + 0.268*ALDX + 0.268*PAR + XO2H\n + RO2 # 1.00E+00;\n XPAR = XO2N + RO2 # 4.81E-20 & 4.07E-01^-8.0 &0.41 &1.0;\n XPAR = 0.126*ALDX + 0.874*ROR + 0.126*XO2H + 0.874*XO2\n + RO2 -0.126*PAR # 1.00E+00;\n NO2 + OH + H2O = HNO3 # 1.10E-30; \n!\n! Chlorine reactions added from base CB05tucl and updated\n!\n\n CL2 = 2.000*CL # 1.0/;\n HOCL = OH + CL # 1.0/;\n\n CL + O3 = CLO # 2.3E-11 @ 200;\n CLO + CLO = 0.300*CL2 + 1.400*CL # 1.63E-14;\n CLO + NO = CL + NO2 # 6.4E-12 @ -290;\n CLO + HO2 = HOCL # 2.2E-12 @ -340;\n CLO + MEO2 = CL + FORM + HO2 # 3.2E-12@110;\n OH + FMCL = CL + CO # 5.0E-13;\n FMCL = CL + CO + HO2 # 1.0/;\n CL + CH4 = HCL + MEO2 + RO2 # 6.6E-12 @ 1240;\n CL + PAR = HCL + XPAR # 5.0E-11;\n CL + PRPA = HCL + ACET + 0.97*XO2H + 0.03*XO2N + RO2 # 1.4E-10;\n CL + ETHA = HCL\n + 0.991*ALD2\n + 0.991*XO2H\n + 0.009*XO2N\n + RO2 # 8.3-11 @ 100;\n CL + ETH = FMCL\n + 2.000*XO2\n + 1.000*HO2\n + 1.000*FORM # 1.07E-10;\n CL + OLE = FMCL\n + 0.330*ALD2\n + 0.670*ALDX\n + 2.000*XO2\n + 1.000*HO2\n - 1.000*PAR # 2.5E-10;\n CL + IOLE = 0.300*HCL\n + 0.700*FMCL\n + 0.450*ALD2\n + 0.550*ALDX\n + 0.300*OLE\n + 0.300*PAR\n + 1.700*XO2\n + 1.000*HO2 # 3.5E-10;\n CL + ISOP = FMCL + ISPD + 0.96*XO2H + 0.04*XO2N + RO2 # 4.3E-10;\n CL + FORM = HCL + 1.00*HO2 + 1.00*CO # 8.2E-11 @ 34;\n CL + ALD2 = HCL + 1.000*C2O3 # 7.9E-11;\n CL + ALDX = HCL + 1.000*CXO3 # 1.3E-10;\n CL + MEOH = HCL + 1.00*HO2 + 1.00*FORM # 5.5E-11;\n CL + ETOH = HCL + 1.00*HO2 + 1.00*ALD2 # 8.2E-11 @ -45;\n HCL + OH = CL # 6.58E-13^1.16 @ -58;\n\n CL + TOL = HCL + 0.18*CRES + 0.65*TO2 + 0.72*RO2 + 0.1*OPEN\n + 0.1*OH + 0.07*XO2H + 0.18*HO2 + TOLRO2 # 6.1E-11;\n CL + XYLMN = HCL + 0.155*CRES + 0.544*XLO2 + 0.602*RO2 + 0.244*XOPN\n + 0.244*OH + 0.058*XO2H + 0.155*HO2 + XYLRO2 # 1.2E-10;\n CL + NAPH = HCL + 0.155*CRES + 0.544*XLO2 + 0.602*RO2 + 0.244*XOPN\n + 0.244*OH + 0.058*XO2H + 0.155*HO2 + PAHRO2 # 1.2E-10;\n CLNO2 = CL + NO2 #1.0/;\n! add new reactions for chlorine nitrate\n CLO + NO2 = CLNO3 #1.8E-31^-3.4&1.5E-11^-1.9&0.6;\n! CLNO3 = CLO + NO2 #4.48E-5^-1.0@12530&3.71E+15^3.5@12530&0.6;\n CLNO3 = CLO + NO2 # 1.0/;\n CLNO3 = CL + NO3 # 1.0/;\n\n! heterogeneous reactions\n CLNO3 = HOCL + HNO3 # 1.0~;\n CLNO3 = HOCL + HNO3 # 1.0~;\n\n! SOA counter species and semivolatiles formed\n TOLRO2 + NO = NO + 0.016*SVAVB2 + 0.051*SVAVB3 +\n 0.047*SVAVB4 # 2.70e-12@-360;\n TOLRO2 + HO2 = HO2 + 0.14*SVAVB1 # 1.90e-13@-1300;\n XYLRO2 + NO = NO + 0.015*SVAVB2 + 0.023*SVAVB3 +\n 0.06*SVAVB4 # 2.70e-12@-360;\n XYLRO2 + HO2 = HO2 + 0.193*SVAVB1 # 1.90e-13@-1300; \n BENZRO2 + NO = NO + 0.034*SVAVB2 + 0.392*SVAVB4 # 2.70e-12@-360;\n BENZRO2 + HO2 = HO2 + 0.146*SVAVB1 # 1.90e-13@-1300;\n SESQ + O3 = O3 + SESQRXN # 1.16E-14;\n SESQ + OH = OH + SESQRXN # 1.97E-10;\n SESQ + NO3 = NO3 + SESQRXN # 1.90E-11;\n PAHRO2 + NO = NO + 0.028*SVAVB2 + 0.225*SVAVB3 +\n 0.191*SVAVB4 # 2.70e-12@-360;\n PAHRO2 + HO2 = HO2 + 0.473*SVAVB1 # 1.90e-13@-1300;\n SOAALK + OH = OH + 0.006*SVAVB2 + 0.052*SVAVB3 + \n 0.081*SVAVB4 # 2.70e-12@-374;\n\n\n! iorganic heteorogeneous reactions from hetchem version 5.0.2\n! included F_NTR2_ON factor here, rather than in AEROSOL_CHEM.F\n\n NTR2 = HNO3 # 1.4~;\n\n N2O5 = HNO3 + H2NO3PIJ # 1.0~;\n N2O5 = HNO3 + H2NO3PK # 1.0~;\n\n H2NO3PIJ = HNO3 # 1.0~;\n H2NO3PK = HNO3 # 1.0~;\n\n H2NO3PIJ + ACLI = CLNO2 # 1.0~;\n H2NO3PIJ + ACLJ = CLNO2 # 1.0~;\n H2NO3PK + ACLK = CLNO2 # 1.0~;\n\n NO2 = 0.5*HONO + 0.5*HNO3 # 1.0~;\n\n! updated reaction rate \n O3 = %H # 6.7006E-11@-10.7435 & 3.4153E-08@0.6713\n & 2.0E-6;\n\n! heterogeneous acid-catalyzed uptake of isoprene-epoxydiols \n EPOX = IEPOXP # 1.0~;\n IEPOXP + ASO4J = AISO3J # 1.0~;\n IEPOXP = AISO3J # 1.0~;\n\n! GLY and MGLY uptake\n GLY = AGLYJ # 1.0~;\n MGLY = AGLYJ # 1.0~;\n\n! MTNO3 formation and reaction\n TERPNRO2 + NO = 1.0*NO + 0.688*MTNO3 # 2.60e-12@-380;\n TERPNRO2 + HO2 = 1.0*HO2 + 1.0*MTNO3 # 2.65e-13@-1300;\n TERPNRO2 + NO3 = 1.0*NO3 + 0.422*MTNO3 # 2.30e-12;\n! 50% alkoxy radical yield from TERPNRO2 + RO2\n TERPNRO2 + RO2 = 1.0*RO2 + 0.711*MTNO3 # 3.50e-14;\n! Reaction with OH, Cl is followed 50/50 by HO2 (N releasing) and NO (N retaining)\n MTNO3 + CL = CL + 0.37*MTNO3 # 1.92e-10;\n MTNO3 + OH = OH + 0.24*MTNO3 # 7.20e-12;\n! photolysis releases all nitrate\n MTNO3 = # 1.0/;\n\n! MTNO3 aerosol hydrolysis\n AMTNO3J = 1.00*AMTHYDJ #9.259E-5;\n\n! oligomerization reaction for secondary organic aerosols\n AAVB2J = 0.907*AOLGAJ # 9.48816E-6;\n AAVB3J = 0.925*AOLGAJ # 9.48816E-6;\n AAVB4J = 0.943*AOLGAJ # 9.48816E-6;\n AISO1J = 0.50*AOLGBJ # 9.48816E-6;\n AISO2J = 0.50*AOLGBJ # 9.48816E-6;\n ASQTJ = 1.50*AOLGBJ # 9.48816E-6;\n\n!aging reactions for primary organic carbon\n APOCI + OH = 1.25*APNCOMI + APOCI + OH # 2.5E-12;\n APNCOMI + OH = OH # 1.0~;\n APOCJ + OH = 1.25*APNCOMJ + APOCJ + OH # 2.5E-12;\n APNCOMJ + OH = OH # 1.0~;\n\n! Formation of Potential Combustion SOA (pcSOA)\n PCVOC + OH = OH + PCSOARXN # 1.25E-11;\n\n! Aging with Func. and Frag. (Donahue et al. 2012)\n VLVPO1 + OH = OH \n + 0.4857 * VLVPO1 + 0.0062 * VSVPO1\n + 0.0025 * VSVPO2 + 0.0026 * VSVPO3\n + 0.0023 * VIVPO1 + 0.2944 * VLVOO1\n + 0.2021 * VLVOO2 + 0.0019 * VSVOO2\n + 0.0023 * VSVOO3 #4.0e-11;\n VSVPO1 + OH = OH \n + 0.3003 * VLVPO1 + 0.2862 * VSVPO1\n + 0.0041 * VSVPO2 + 0.0035 * VSVPO3\n + 0.2239 * VLVOO1 + 0.1820 * VLVOO2 #4.0e-11;\n VSVPO2 + OH = OH \n + 0.3856 * VLVPO1 + 0.0950 * VSVPO1\n + 0.1373 * VSVPO2 + 0.0005 * VSVPO3\n + 0.2051 * VLVOO1 + 0.1764 * VLVOO2 #4.0e-11;\n VSVPO3 + OH = OH \n + 0.2181 * VLVPO1 + 0.3063 * VSVPO1\n + 0.0153 * VSVPO2 + 0.1043 * VSVPO3\n + 0.1893 * VLVOO1 + 0.1668 * VLVOO2 #4.0e-11;\n VIVPO1 + OH = OH \n + 0.2412 * VLVPO1 + 0.2089 * VSVPO1\n + 0.3000 * VSVPO2 + 0.2028 * VLVOO1\n + 0.0471 * VLVOO2 #4.0e-11;\n VLVOO1 + OH = OH \n + 0.6664 * VLVOO1 + 0.0143 * VLVOO2\n + 0.0123 * VSVOO1 + 0.1239 * VSVOO2\n + 0.1831 * VSVOO3 #4.0e-11;\n VLVOO2 + OH = OH \n + 0.2858 * VLVOO1 + 0.3931 * VLVOO2\n + 0.0139 * VSVOO1 + 0.1027 * VSVOO2\n + 0.2045 * VSVOO3 #4.0e-11;\n VSVOO1 + OH = OH \n + 0.3303 * VLVOO1 + 0.2272 * VLVOO2\n + 0.2607 * VSVOO1 + 0.0702 * VSVOO2\n + 0.1116 * VSVOO3 #4.0e-11;\n VSVOO2 + OH = OH \n + 0.3444 * VLVOO1 + 0.2749 * VLVOO2\n + 0.0491 * VSVOO1 + 0.2577 * VSVOO2\n + 0.0739 * VSVOO3 #4.0e-11;\n VSVOO3 + OH = OH \n + 0.3886 * VLVOO1 + 0.2421 * VLVOO2\n + 0.0640 * VSVOO1 + 0.0385 * VSVOO2\n + 0.2667 * VSVOO3 #4.0e-11; \n\n! MP extra species\n< T01> FORM_PRIMARY + OH = OH # 5.40E-12@-135;\n< T02> FORM_PRIMARY + NO3 = NO3 # 5.50E-16;\n< T03> FORM_PRIMARY + O = O # 3.4E-11 @ 1600;\n< T04> FORM_PRIMARY = # 1.0/;\n< T05> FORM_PRIMARY = # 1.0/;\n FORM_PRIMARY + CL = CL # 8.2E-11 @ 34;\n< T06> ALD2_PRIMARY + OH = OH # 4.70E-12@-345;\n< T07> ALD2_PRIMARY + NO3 = NO3 # 1.40E-12@1860;\n< T08> ALD2_PRIMARY + O = O # 1.8E-11 @ 1100;\n< T09> ALD2_PRIMARY = # 1.0/;\n ALD2_PRIMARY + CL = CL # 7.9E-11;\n< T10> BUTADIENE13 + OH = OH + 0.58*ACROLEIN # 1.48E-11@-448.;\n< T11> BUTADIENE13 + O3 = O3 + 0.52*ACROLEIN # 1.34E-14@2283.;\n< T12> BUTADIENE13 + NO3 = NO3 + 0.045*ACROLEIN # 1.79E-13;\n BUTADIENE13 + CL = CL + 0.58*ACROLEIN # 2.51E-10;\n< T13> ACRO_PRIMARY + OH = OH # 2.0E-11;\n< T14> ACRO_PRIMARY + O3 = O3 # 2.61E-19;\n< T15> ACRO_PRIMARY + NO3 = NO3 # 1.15E-15;\n< T16> ACRO_PRIMARY = # 1.0/;\n ACRO_PRIMARY + CL = CL # 2.37E-10;\n< T17> ACROLEIN + OH = OH # 2.0E-11;\n< T18> ACROLEIN + O3 = O3 # 2.61E-19;\n< T19> ACROLEIN + NO3 = NO3 # 1.15E-15;\n< T20> ACROLEIN = # 1.0/;\n ACROLEIN + CL = CL # 2.37E-10;\n< T21> TOLU + OH = OH # 1.80E-12@-340.;\n TOLU + CL = CL # 6.1E-11;\n HG + O3 = 0.5*HGIIAER + 0.5*HGIIGAS + O3 # 2.11E-18 @ 1256.5;\n HG + CL2 = HGIIGAS + CL2 # 2.6E-18;\n HG + H2O2 = HGIIGAS + H2O2 # 8.5E-19;\n HG + OH = 0.5*HGIIAER + 0.5*HGIIGAS + OH # 7.7E-14;\n HG + CL + M = 0.5*HG + 0.5*HGIIGAS + M + CL # 2.25E-33 @ -680.0;\n\n! DMS chemistry (IUPAC except DMS4 which is from Somariva and Glasow, 2012 )\n DMS + OH = SO2 + MEO2\n + FORM # 1.12E-11@250;\n DMS + OH = 0.75*SO2 + 0.25*MSA\n + MEO2 # 1.99E-39@-5270\n & 1.26E-10@+340 &1.0 &1;\n DMS + NO3 = SO2 + HNO3\n + MEO2\n + FORM # 1.9E-13@-520;\n DMS + CL = 0.86*SO2 + MEO2\n + 0.45*FORM\n + 0.45*HCL\n + 0.14*MSA\n + 0.55*CLO # 3.4E-13@-2081;\n\nEND MECH\n\nCONSTANTS\n ATM_AIR = 1.0E+06\n ATM_H2 = 0.56\n ATM_N2 = 0.7808E+06\n ATM_O2 = 0.2095E+06\n ATM_CH4 = 1.85\nEND CONSTANTS\n\n" }, { "path": "CCTM/src/MECHS/cb6r5_ae7_aq/pa_cb6r5_ae7_aq.ctl", "content": "! for CB6_cl2\n!\nIRRTYPE = PARTIAL;\nDEFINE FAMILY NOX = NO + NO2;\nDEFINE FAMILY NTR = NTR1 +NTR2 +INTR;\nDEFINE FAMILY PANy = PAN +PANX +OPAN;\nDEFINE FAMILY NOZ = PAN +PANX +OPAN +HONO +PNA +2*N2O5 +NTR1 +NTR2 +INTR +HNO3\n +CLNO2 +CLNO3 +CRON;\nDEFINE FAMILY OX = O3 +NO2 +2*NO3 +O +O1D +PAN +3*N2O5 +PNA +PANX +OPAN;\nDEFINE FAMILY HOX = OH + HO2;\nDEFINE FAMILY aRO2s = C2O3 +CXO3 +OPO3;\nDEFINE FAMILY RO2s = MEO2 +XO2 +XO2H +XO2N +ISO2 +EPX2 +BZO2 +TO2\n +XLO2;\nDEFINE FAMILY aVOC = FORM +ALD2 +ALDX +PAR +ETHA +PRPA +MEOH +ETOH +ETH +OLE\n +IOLE +ACET +TOL +XYLMN +GLYD +GLY +MGLY +KET +CRON +NTR1 +OPEN +CAT1 +CRES\n +XOPN +NAPH;\nDEFINE FAMILY bVOC = ISOP + ISPD + INTR + HPLD + EPOX + TERP;\n!!=======================================================================\n! Reaction Sum Definitions \n!=======================================================================\n\nDEFINE CYCLE PANcyc = PAN;\nDEFINE CYCLE PANXcyc = PANX;\nDEFINE CYCLE OPANcyc = OPAN;\nDEFINE CYCLE PNAcyc = PNA;\nDEFINE RXNSUM PNAHO2cyc = 0.59* + - ;\nDEFINE RXNSUM HONOcyc = + 2.0* - 2.0* - - ;\nDEFINE RXNSUM NO3cyc = - ;\nDEFINE RXNSUM MEPXcyc = - 0.9*;\nDEFINE RXNSUM ROOHcyc = - - - ;\nDEFINE RXNSUM N2O5cyc = - ;\nDEFINE RXNSUM H2O2_OHcyc = - --;\nDEFINE RXNSUM HOXcyc = -;\nDEFINE RXNSUM HCO3cyc = - ;\nDEFINE RXNSUM CLNO3cyc = - ;\n!=======================================================================\n! IPR_OUTPUTS\n!=======================================================================\nIPR_OUTPUT O3 = CHEM+DDEP+CLDS+AERO+TRNM;\nIPR_OUTPUT HNO3 = CHEM+DDEP+CLDS+AERO;\nIPR_OUTPUT PAN = CHEM+DDEP+CLDS+AERO+TRNM;\nIPR_OUTPUT N2O5 = CHEM+DDEP+CLDS+AERO;\n\nDEFINE FAMILY EC = AECI + AECJ;\nIPR_OUTPUT EC = COAG + EMIS + HADV;\nIPR_OUTPUT ASO4J = COND + COAG + EMIS + CHEM + VDIF + CLDS;\nIPR_OUTPUT ASO4I = NPF + COND + COAG + EMIS + CHEM + VDIF +CLDS;\nIPR_OUTPUT NUMATKN;\n!IPR_OUTPUT NUMACC;\n!IPR_OUTPUT NUMCOR;\n!=======================================================================\n! IRR_OUTPUTS\n! OX prod and loss\n!\nIRR_OUTPUT OxPROD = NETP[OX];\nIRR_OUTPUT OxLOSS = NETL[OX];\nIRR_OUTPUT OxLOSSHAL = ;\n\n! factors influencing PAN and N2O5 concentrations\n!\nIRR_OUTPUT PANprod = PANcyc[POSONLY];\nIRR_OUTPUT PANloss= PANcyc[NEGONLY] + ;\n\n! RO2 fate\nIRR_OUTPUT RO2withNOtoNO2 = PROD[NO2] FROM [RO2s] AND [NO]\n+ PROD[NO2] FROM [aRO2s] AND [NO];\nIRR_OUTPUT RO2withNOtoNTR = PROD[NTR] FROM [RO2s] AND [NO];\nIRR_OUTPUT RO2withNO2toPAN = PROD[PANy] FROM [aRO2s] AND [NO2];\nIRR_OUTPUT RO2withHO2 = LOSS [RO2s] AND [HO2] + LOSS [aRO2s] AND [HO2];\nIRR_OUTPUT RO2withRO2 = LOSS [RO2s] AND [RO2] + LOSS [aRO2s] AND [RO2]\n + LOSS [RO2s] AND [aRO2s];\n! VOC fate\nIRR_OUTPUT aVOCwithOH = LOSS[aVOC] AND [OH];\nIRR_OUTPUT aVOCwithO3 = LOSS[aVOC] AND [O3];\nIRR_OUTPUT aVOCwithNO3 = LOSS[aVOC] AND [NO3];\nIRR_OUTPUT aVOCwithCL = LOSS[aVOC] AND [CL];\nIRR_OUTPUT bVOCwithOH = LOSS[bVOC] AND [OH];\nIRR_OUTPUT bVOCwithO3 = LOSS[bVOC] AND [O3];\nIRR_OUTPUT bVOCwithNO3 = LOSS[bVOC] AND [NO3];\nIRR_OUTPUT bVOCwithCL = LOSS[bVOC] AND [CL];\n\n! New radicals\n\nIRR_OUTPUT OHfrO1D = PROD [OH] FROM [O1D];\n!\nIRR_OUTPUT NewHOxfromHCHO =2.0*; \nIRR_OUTPUT NewHOxfromH2O2 =2.0*H2O2_OHcyc[POSONLY];\nIRR_OUTPUT NewHOxfromHONO = HONOcyc[NEGONLY]; \n! from photolysis not including HCHO\nIRR_OUTPUT NewHOxfromhv = + + 2.0* + 2.0* + \n + 1.59* + 2.0* + + 0.76* + + 0.7* \n + + ;\n! from O3+alkene reactions\nIRR_OUTPUT NewHOxfromO3 =0.44* + 0.414* + 0.5* +0.332*\n +0.859* +0.57* + 1.06*; \n\n! chlorine\nIRR_OUTPUT NewClrad = 2.0* + + + + ;\nIRR_OUTPUT ClfromCLNO2 = ;\nIRR_OUTPUT ClfromCLNO3 = ;\n\n! NOz production rates\n\nIRR_OUTPUT NOZfrNOX = PANcyc[POSONLY] + PANXcyc[POSONLY] + OPANcyc[POSONLY] \n + HONOcyc[POSONLY] + PNAcyc[POSONLY] + NO3cyc[POSONLY] + N2O5cyc[POSONLY]\n + CLNO3cyc[POSONLY] +PROD[NTR] FROM [NOX] + PROD[HNO3] FROM [NOX];\n! O3 production efficiency = p(O3)/p(NOz)= O3prod/NOZfromNOX\nIRR_OUTPUT O3prod = NETP[O3];\n\n! HNO3 formation pathways\nIRR_OUTPUT HNO3prod = PROD[HNO3];\nIRR_OUTPUT HNO3fromOHNO2 = ;\nIRR_OUTPUT HNO3fromhetNTR = ;\nIRR_OUTPUT HNO3fromN2O5 = + + \n +;\nIRR_OUTPUT HNO3fromNO3 = PROD[HNO3] FROM [NO3];\nIRR_OUTPUT HNO3frCLNO3 = + ;\n\n! alkyl nitrate pathways\n!\nIRR_OUTPUT NTRprod = NETP[NTR];\nIRR_OUTPUT NTRfromISOP = PROD[NTR] FROM [ISOP] + PROD[NTR] FROM [ISPD];\nIRR_OUTPUT NTRfromTERP = PROD[NTR] FROM [TERP];\nIRR_OUTPUT XO2NfromISOP = PROD[XO2N] FROM [ISOP] + PROD[XO2N] FROM [ISPD];\nIRR_OUTPUT XO2NfromTERP = PROD[XO2N] FROM [TERP];\nIRR_OUTPUT XO2NfromALKx = PROD[XO2N] FROM [PAR];\nIRR_OUTPUT XO2Nprod = PROD[XO2N];\nIRR_OUTPUT NTRfromXO2N = PROD[NTR] FROM [XO2N];\n!\nENDPA;\n" }, { "path": "CCTM/src/MECHS/cb6r5_ae7_aqkmt2/AE_cb6r5_ae7_aq.nml", "content": "&AE_nml\n\nAE_SPECIES_DATA = \n\n!SPECIES ,MOLWT ,Aitken ,Accum ,Coarse ,OPTICS ,IC ,ICFAC ,BC ,BC_FAC ,DRYDEP SURR ,FAC ,WET-SCAV SURR ,FAC ,AE2AQ SURR ,TRNS ,DDEP ,WDEP ,CONC\n'ASO4' , 96.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'SO4' , 1 ,'SO4' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ANH4' , 18.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'NH4' , 1 ,'NH4' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ANO3' , 62.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'NO3' , 1 ,'NO3' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ANA' , 23.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'NA' , 1 ,'NA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ACL' , 35.50 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'CL' , 1 ,'CL' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AISO1' ,132.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AISO2' ,133.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASQT' ,273.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AORGC' ,177.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'AORGC' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AEC' , 12.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'EC' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AOTHR' ,200.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'PRI' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AFE' , 55.80 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'FE' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AAL' , 27.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'PRI' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASI' , 28.10 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'PRI' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ATI' , 47.90 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'PRI' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ACA' , 40.10 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'CA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMG' , 24.30 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'MG' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AK' , 39.10 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'K' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMN' , 54.90 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'MN' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ACORS' ,100.00 ,F ,F ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'ANTH' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASOIL' ,100.00 ,F ,F ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'SOIL' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'NUM' , 1.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VNUM' , 1 ,'NUM' , 1 ,'NUM' ,'Yes' ,'' ,'' ,'Yes',\n'SRF' , 1.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VSRF' , 1 ,'SRF' , 1 ,'SRF' ,'Yes' ,'' ,'' ,'Yes',\n'AORGH2O' , 18.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'H2O' , 1 ,'H2O' ,'Yes' ,'' ,'' ,'Yes',\n'AH2O' , 18.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'H2O' , 1 ,'H2O' ,'Yes' ,'' ,'' ,'Yes',\n'AH3OP' , 19.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'' ,-1 ,'' ,'Yes' ,'' ,'' ,'Yes',\n'ASEACAT' , 23.75 ,F ,F ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'SEAS' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AISO3' ,168.20 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'ISO3' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AOLGA' ,206.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AOLGB' ,248.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AGLY' , 66.40 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMTNO3' ,231.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMTHYD' ,168.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'APOC' ,220.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes', \n'APNCOM' ,220.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes', \n'APCSO' ,170.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ALVPO1' ,218.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASVPO1' ,230.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASVPO2' ,241.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASVPO3' ,253.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AIVPO1' ,266.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ALVOO1' ,136.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ALVOO2' ,136.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASVOO1' ,135.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASVOO2' ,135.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASVOO3' ,134.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AAVB1' ,198.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AAVB2' ,179.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AAVB3' ,169.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AAVB4' ,158.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMT1' ,300.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMT2' ,200.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMT3' ,186.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMT4' ,184.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMT5' ,170.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMT6' ,168.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n/\n" }, { "path": "CCTM/src/MECHS/cb6r5_ae7_aqkmt2/GC_cb6r5_ae7_aq.nml", "content": "&GC_nml\n\nGC_SPECIES_DATA = \n\n!SPECIES ,MOLWT ,IC ,IC_FAC ,BC ,BC_FAC ,DRYDEP SURR ,FAC ,WET-SCAV SURR ,FAC ,GC2AE SURR ,GC2AQ SURR,TRNS ,DDEP ,WDEP ,CONC\n'NO2' , 46.0 ,'' ,-1 ,'' ,-1 ,'VD_NO2' , 1 ,'NO2' , 1 ,'NO2' ,'NO2' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'NO' , 30.0 ,'' ,-1 ,'' ,-1 ,'VD_NO' , 1 ,'NO' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'O' , 16.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'O3' , 48.0 ,'' ,-1 ,'' ,-1 ,'VD_O3' , 1 ,'O3' , 1 ,'' ,'O3' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'NO3' , 62.0 ,'' ,-1 ,'' ,-1 ,'VD_NO3' , 1 ,'NO3' , 1 ,'' ,'NO3RAD' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'O1D' , 16.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'OH' , 17.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'OH' ,'HO' ,'' ,'' ,'' ,'Yes',\n'HO2' , 33.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'HO2' ,'' ,'' ,'' ,'Yes',\n'H2O2' , 34.0 ,'' ,-1 ,'' ,-1 ,'VD_H2O2' , 1 ,'H2O2' , 1 ,'' ,'H2O2' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'N2O5' ,108.0 ,'' ,-1 ,'' ,-1 ,'VD_N2O5' , 1 ,'N2O5' , 1 ,'N2O5' ,'N2O5' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'HNO3' , 63.0 ,'' ,-1 ,'' ,-1 ,'VD_HNO3' , 1 ,'HNO3' , 1 ,'HNO3' ,'HNO3' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'HONO' , 47.0 ,'' ,-1 ,'' ,-1 ,'VD_HONO' , 1 ,'HNO2' , 1 ,'HONO' ,'HONO' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'PNA' , 79.0 ,'' ,-1 ,'' ,-1 ,'VD_PNA' , 1 ,'HNO4' , 1 ,'' ,'HNO4' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SO2' , 64.0 ,'' ,-1 ,'' ,-1 ,'VD_SO2' , 1 ,'SO2' , 1 ,'' ,'SO2' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SULF' , 98.0 ,'' ,-1 ,'' ,-1 ,'VD_SULF' , 1 ,'H2SO4' , 1 ,'SULF' ,'H2SO4' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SULRXN' , 98.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'SULPRD' ,'' ,'' ,'' ,'' ,'' ,\n'C2O3' , 75.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'MEO2' , 47.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'CH3O2' ,'' ,'' ,'' ,'Yes',\n'RO2' , 87.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'PAN' ,121.0 ,'' ,-1 ,'' ,-1 ,'VD_PAN' , 1 ,'PAN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'PACD' , 76.0 ,'' ,-1 ,'' ,-1 ,'VD_PAA' , 1 ,'PEROXYACETIC_ACI', 1 ,'' ,'PAA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AACD' , 60.0 ,'' ,-1 ,'' ,-1 ,'VD_ORA' , 1 ,'ACETIC_ACID' , 1 ,'' ,'CCOOH' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'CXO3' , 89.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'ALD2' , 44.0 ,'' ,-1 ,'' ,-1 ,'VD_ALD' , 1 ,'ACETALDEHYDE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'XO2H' , 87.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'PANX' ,135.0 ,'' ,-1 ,'' ,-1 ,'VD_PPN' , 1 ,'PPN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'FORM' , 30.0 ,'' ,-1 ,'' ,-1 ,'VD_HCHO' , 1 ,'FORMALDEHYDE' , 1 ,'' ,'HCHO' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'MEPX' , 48.0 ,'' ,-1 ,'' ,-1 ,'VD_OP' , 1 ,'METHYLHYDROPEROX', 1 ,'' ,'MHP' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'MEOH' , 32.0 ,'' ,-1 ,'' ,-1 ,'VD_METHANOL' , 1 ,'METHANOL' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ROOH' , 90.1 ,'' ,-1 ,'' ,-1 ,'VD_ROOH' , 1 ,'METHYLHYDROPEROX', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'XO2' , 87.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'XO2N' , 87.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'XPAR' , 45.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'XPRP' , 89.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'NTR1' ,119.1 ,'' ,-1 ,'' ,-1 ,'VD_NTRALK' , 1 ,'NTR_ALK' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'NTR2' ,135.1 ,'' ,-1 ,'' ,-1 ,'VD_NTROH' , 1 ,'NTR_OH' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'FACD' , 46.0 ,'' ,-1 ,'' ,-1 ,'VD_FACD' , 1 ,'FORMIC_ACID' , 1 ,'' ,'FOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'CO' , 28.0 ,'' ,-1 ,'' ,-1 ,'VD_CO' , 1 ,'CO' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'HCO3' , 63.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'ALDX' , 58.1 ,'' ,-1 ,'' ,-1 ,'VD_GEN_ALD' , 1 ,'GENERIC_ALDEHYDE', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'GLYD' , 60.0 ,'' ,-1 ,'' ,-1 ,'VD_GLYD' , 1 ,'GLYOXAL' , 1 ,'' ,'GCOL' ,'Yes' ,'Yes' ,'' ,'Yes',\n'GLY' , 58.0 ,'' ,-1 ,'' ,-1 ,'VD_GLY' , 1 ,'GLYOXAL' , 1 ,'' ,'GLY' ,'Yes' ,'Yes' ,'' ,'Yes',\n'MGLY' , 72.0 ,'' ,-1 ,'' ,-1 ,'VD_MGLY' , 1 ,'METHYL_GLYOXAL' , 1 ,'' ,'MGLY' ,'Yes' ,'Yes' ,'' ,'Yes',\n'ETHA' , 30.1 ,'' ,-1 ,'' ,-1 ,'VD_ETHA' , 1 ,'ETHANE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'ETOH' , 46.1 ,'' ,-1 ,'' ,-1 ,'VD_ETOH' , 1 ,'ETHANOL' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'KET' , 72.1 ,'' ,-1 ,'' ,-1 ,'VD_KET' , 1 ,'MEK' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'PAR' , 14.0 ,'' ,-1 ,'' ,-1 ,'VD_PAR' , 1 ,'ETHANE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'ACET' , 58.1 ,'' ,-1 ,'' ,-1 ,'VD_ACET' , 1 ,'ACETONE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'PRPA' , 44.1 ,'' ,-1 ,'' ,-1 ,'VD_PRPA' , 1 ,'PROPANE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'ROR' , 29.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'ETHY' , 26.0 ,'' ,-1 ,'' ,-1 ,'VD_ETHY' , 1 ,'ACETYLENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'ETH' , 28.0 ,'' ,-1 ,'' ,-1 ,'VD_ETH' , 1 ,'ETHENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'OLE' , 42.1 ,'' ,-1 ,'' ,-1 ,'VD_OLE' , 1 ,'ETHENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'IOLE' , 56.1 ,'' ,-1 ,'' ,-1 ,'VD_IOLE' , 1 ,'ETHENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'ISOP' , 68.1 ,'' ,-1 ,'' ,-1 ,'VD_ISOP' , 1 ,'ISOPRENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'ISO2' ,117.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'ISOPRXN' , 68.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'ISOPRXN' ,'' ,'' ,'' ,'' ,'' ,\n'ISPD' , 70.1 ,'' ,-1 ,'' ,-1 ,'VD_ISPD' , 1 ,'METHACROLEIN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'INTR' ,147.1 ,'' ,-1 ,'' ,-1 ,'VD_INTR' , 1 ,'NTR_OH' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ISPX' ,118.1 ,'' ,-1 ,'' ,-1 ,'VD_ISPX' , 1 ,'METHYLHYDROPEROX', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'HPLD' ,116.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'OPO3' ,115.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'EPOX' ,118.1 ,'' ,-1 ,'' ,-1 ,'VD_IEPOX' , 1 ,'MEK' , 1 ,'' ,'IEPOX' ,'Yes' ,'Yes' ,'' ,'Yes',\n'IEPOXP' ,118.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes', \n'EPX2' ,149.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'TERP' ,136.2 ,'' ,-1 ,'' ,-1 ,'VD_TERP' , 1 ,'PINENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'APIN' ,136.2 ,'' ,-1 ,'' ,-1 ,'VD_TERP' , 1 ,'PINENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'TERPNRO2' ,197.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'MTNO3' ,231.0 ,'' ,-1 ,'' ,-1 ,'VD_MTNO3' , 1 ,'MTNO3' , 1 ,'MTNO3' ,'MTNO3' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'TRPRXN' ,136.2 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'TRPRXN' ,'' ,'' ,'' ,'' ,'' ,\n'BENZENE' , 78.1 ,'' ,-1 ,'' ,-1 ,'VD_BENZ' , 1 ,'BENZENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'CRES' ,108.1 ,'' ,-1 ,'' ,-1 ,'VD_CRES' , 1 ,'2-CRESOL' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'BZO2' ,159.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'OPEN' , 84.0 ,'' ,-1 ,'' ,-1 ,'VD_OPEN' , 1 ,'METHACROLEIN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'BENZRO2' ,127.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'TOL' , 92.1 ,'' ,-1 ,'' ,-1 ,'VD_TOL' , 1 ,'TOLUENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'TO2' ,173.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'TOLRO2' ,141.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'XOPN' , 98.1 ,'' ,-1 ,'' ,-1 ,'VD_XOPN' , 1 ,'MEK' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'XYLMN' ,106.2 ,'' ,-1 ,'' ,-1 ,'VD_XYLMN' , 1 ,'O-XYLENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'XLO2' ,187.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'XYLRO2' ,155.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'NAPH' ,128.2 ,'' ,-1 ,'' ,-1 ,'VD_NAPH' , 1 ,'O-XYLENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'PAHRO2' ,187.2 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'CRO' ,107.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'CAT1' ,124.1 ,'' ,-1 ,'' ,-1 ,'VD_CAT1' , 1 ,'PHENOL' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'CRON' ,153.1 ,'' ,-1 ,'' ,-1 ,'VD_METH_NIT_PHEN', 1 ,'6_NITRO_O_CRESOL', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'OPAN' ,161.0 ,'' ,-1 ,'' ,-1 ,'VD_MPAN' , 1 ,'MPAN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ECH4' , 16.0 ,'' ,-1 ,'' ,-1 ,'VD_METHANE' , 1 ,'METHANE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'CL2' , 71.0 ,'' ,-1 ,'' ,-1 ,'VD_CL2' , 1 ,'CL2' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'CL' , 35.5 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'HOCL' , 52.5 ,'' ,-1 ,'' ,-1 ,'VD_HOCL' , 1 ,'HOCL' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'CLO' , 51.5 ,'' ,-1 ,'' ,-1 ,'VD_CLO' , 1 ,'CLO' , 1 ,'' ,'' ,'YES' ,'' ,'' ,'Yes',\n'FMCL' , 64.5 ,'' ,-1 ,'' ,-1 ,'VD_FMCL' , 1 ,'FMCL' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'HCL' , 36.5 ,'' ,-1 ,'' ,-1 ,'VD_HCL' , 1 ,'HCL' , 1 ,'HCL' ,'HCL' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'CLNO2' , 81.5 ,'' ,-1 ,'' ,-1 ,'VD_CLNO2' , 1 ,'NITRYL_CHLORIDE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'CLNO3' , 97.5 ,'' ,-1 ,'' ,-1 ,'VD_CLNO3' , 1 ,'CLNO3' , 1 ,'CLNO3' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SESQ' ,204.0 ,'' ,-1 ,'' ,-1 ,'VD_SESQ' , 1 ,'PINENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'SESQRXN' ,204.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'SESQRXN' ,'' ,'' ,'' ,'' ,'' ,\n'SOAALK' ,112.0 ,'' ,-1 ,'' ,-1 ,'VD_SOAALK' , 1 ,'DECANE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'H2NO3PIJ' , 64.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'H2NO3PK' , 64.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'VLVPO1' ,218.0 ,'' ,-1 ,'' ,-1 ,'VD_VLVPO1' , 1 ,'ADIPIC_ACID' , 1 ,'VLVPO1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VSVPO1' ,230.0 ,'' ,-1 ,'' ,-1 ,'VD_VSVPO1' , 1 ,'ADIPIC_ACID' , 1 ,'VSVPO1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VSVPO2' ,241.0 ,'' ,-1 ,'' ,-1 ,'VD_VSVPO2' , 1 ,'ADIPIC_ACID' , 1 ,'VSVPO2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VSVPO3' ,253.0 ,'' ,-1 ,'' ,-1 ,'VD_VSVPO3' , 1 ,'ADIPIC_ACID' , 1 ,'VSVPO3' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VIVPO1' ,266.0 ,'' ,-1 ,'' ,-1 ,'VD_VIVPO1' , 1 ,'ADIPIC_ACID' , 1 ,'VIVPO1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VLVOO1' ,136.0 ,'' ,-1 ,'' ,-1 ,'VD_VLVOO1' , 1 ,'ADIPIC_ACID' , 1 ,'VLVOO1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VLVOO2' ,136.0 ,'' ,-1 ,'' ,-1 ,'VD_VLVOO2' , 1 ,'ADIPIC_ACID' , 1 ,'VLVOO2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VSVOO1' ,135.0 ,'' ,-1 ,'' ,-1 ,'VD_VSVOO1' , 1 ,'ADIPIC_ACID' , 1 ,'VSVOO1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VSVOO2' ,135.0 ,'' ,-1 ,'' ,-1 ,'VD_VSVOO2' , 1 ,'ADIPIC_ACID' , 1 ,'VSVOO2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VSVOO3' ,134.0 ,'' ,-1 ,'' ,-1 ,'VD_VSVOO3' , 1 ,'ADIPIC_ACID' , 1 ,'VSVOO3' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'PCVOC' ,170.0 ,'' ,-1 ,'' ,-1 ,'VD_PCVOC' , 1 ,'GENERIC_ALDEHYDE', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'PCSOARXN' ,170.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'PCSOARXN' ,'' ,'' ,'' ,'' ,'' ,\n'FORM_PRIMARY' , 30.0 ,'' ,-1 ,'' ,-1 ,'VD_HCHO' , 1 ,'FORMALDEHYDE' , 1 ,'' ,'HCHOP' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ALD2_PRIMARY' , 44.0 ,'' ,-1 ,'' ,-1 ,'VD_ALD' , 1 ,'ACETALDEHYDE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'BUTADIENE13' , 54.0 ,'' ,-1 ,'' ,-1 ,'VD_BUTADIENE13' , 1 ,'13-BUTADIENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'ACROLEIN' , 56.1 ,'' ,-1 ,'' ,-1 ,'VD_ACROLEIN' , 1 ,'ACROLEIN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'ACRO_PRIMARY' , 56.1 ,'' ,-1 ,'' ,-1 ,'VD_ACROLEIN' , 1 ,'ACROLEIN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'TOLU' , 92.0 ,'' ,-1 ,'' ,-1 ,'VD_TOL' , 1 ,'TOLUENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'HG' ,200.6 ,'' ,-1 ,'' ,-1 ,'VD_HG' , 1 ,'HG' , 1 ,'' ,'HG' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'HGIIAER' ,200.6 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'PHGRXN' ,'' ,'' ,'' ,'' ,'' ,\n'HGIIGAS' ,271.5 ,'' ,-1 ,'' ,-1 ,'VD_HGIIGAS' , 1 ,'HGIIGAS' , 1 ,'' ,'HGIIGAS' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVAVB1' ,198.0 ,'' ,-1 ,'' ,-1 ,'VD_SVAVB1' , 1 ,'SVAVB1' , 1 ,'SVAVB1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVAVB2' ,179.0 ,'' ,-1 ,'' ,-1 ,'VD_SVAVB2' , 1 ,'SVAVB2' , 1 ,'SVAVB2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVAVB3' ,169.0 ,'' ,-1 ,'' ,-1 ,'VD_SVAVB3' , 1 ,'SVAVB3' , 1 ,'SVAVB3' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVAVB4' ,158.0 ,'' ,-1 ,'' ,-1 ,'VD_SVAVB4' , 1 ,'SVAVB4' , 1 ,'SVAVB4' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'DMS' , 62.0 ,'' ,-1 ,'' ,-1 ,'VD_DMS' , 1 ,'DMS' , 1 ,'' ,'' ,'Yes' , '' ,'' ,'Yes',\n'MSA' , 96.0 ,'' ,-1 ,'' ,-1 ,'VD_MSA' , 1 ,'MSA' , 1 ,'' ,'' ,'Yes' , '' ,'' ,'Yes',\n/\n" }, { "path": "CCTM/src/MECHS/cb6r5hap_ae7_aq/AE_cb6r5hap_ae7_aq.nml", "content": "&AE_nml\n\nAE_SPECIES_DATA = \n \n!SPECIES ,MOLWT ,Aitken ,Accum ,Coarse ,OPTICS ,IC ,ICFAC ,BC ,BC_FAC ,DRYDEP SURR ,FAC ,WET-SCAV SURR ,FAC ,AE2AQ SURR ,TRNS ,DDEP ,WDEP ,CONC\n'ASO4' , 96.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'SO4' , 1 ,'SO4' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ANH4' , 18.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'NH4' , 1 ,'NH4' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ANO3' , 62.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'NO3' , 1 ,'NO3' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ANA' , 23.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'NA' , 1 ,'NA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ACL' , 35.50 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'CL' , 1 ,'CL' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AISO1' ,132.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AISO2' ,133.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASQT' ,273.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AORGC' ,177.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'AORGC' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AEC' , 12.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'EC' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AOTHR' ,200.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'PRI' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AFE' , 55.80 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'FE' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AAL' , 27.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'PRI' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASI' , 28.10 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'PRI' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ATI' , 47.90 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'PRI' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ACA' , 40.10 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'CA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMG' , 24.30 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'MG' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AK' , 39.10 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'K' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMN' , 54.90 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'MN' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ACORS' ,100.00 ,F ,F ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'ANTH' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASOIL' ,100.00 ,F ,F ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'SOIL' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'NUM' , 1.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VNUM' , 1 ,'NUM' , 1 ,'NUM' ,'Yes' ,'' ,'' ,'Yes',\n'SRF' , 1.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VSRF' , 1 ,'SRF' , 1 ,'SRF' ,'Yes' ,'' ,'' ,'Yes',\n'AORGH2O' , 18.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'H2O' , 1 ,'H2O' ,'Yes' ,'' ,'' ,'Yes',\n'AH2O' , 18.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'H2O' , 1 ,'H2O' ,'Yes' ,'' ,'' ,'Yes',\n'AH3OP' , 19.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'' ,-1 ,'' ,'Yes' ,'' ,'' ,'Yes',\n'ASEACAT' , 23.75 ,F ,F ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'SEAS' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AISO3' ,168.20 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AOLGA' ,206.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AOLGB' ,248.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AGLY' , 66.40 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMTNO3' ,231.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMTHYD' ,168.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'APOC' ,220.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes', \n'APNCOM' ,220.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes', \n'APCSO' ,170.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ALVPO1' ,218.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASVPO1' ,230.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASVPO2' ,241.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASVPO3' ,253.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AIVPO1' ,266.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ALVOO1' ,136.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ALVOO2' ,136.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASVOO1' ,135.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASVOO2' ,135.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASVOO3' ,134.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AAVB1' ,198.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AAVB2' ,179.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AAVB3' ,169.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AAVB4' ,158.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMT1' ,300.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMT2' ,200.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMT3' ,186.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMT4' ,184.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMT5' ,170.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMT6' ,168.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes', \n'ANI' , 58.70 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'TRACER' , 1 ,'TRACER' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ACR_VI' , 52.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'TRACER' , 1 ,'TRACER' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ACR_III' , 52.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'TRACER' , 1 ,'TRACER' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ABE' , 9.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'TRACER' , 1 ,'TRACER' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'APB' ,207.20 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'TRACER' , 1 ,'TRACER' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ADE_OTHR',200.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'TRACER' , 1 ,'TRACER' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ADE_EC' , 12.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'TRACER' , 1 ,'TRACER' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ADE_OC' ,220.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'TRACER' , 1 ,'TRACER' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ADE_NO3' , 62.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'TRACER' , 1 ,'TRACER' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ADE_SO4' , 96.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'TRACER' , 1 ,'TRACER' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ADE_CORS',100.00 ,F ,F ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'TRACER' , 1 ,'TRACER' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ACD' ,112.40 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'TRACER' , 1 ,'TRACER' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMN_HAPS', 54.90 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'TRACER' , 1 ,'TRACER' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'APHG' ,200.50 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'TRACER' , 1 ,'PHG' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AAS' , 74.92 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'TRACER' , 1 ,'TRACER' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ABENAPY' ,252.30 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'TRACER' , 1 ,'TRACER' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n/\n" }, { "path": "CCTM/src/MECHS/cb6r5hap_ae7_aq/CMAQ_Control_DESID_cb6r5hap_ae7_aq.nml", "content": "!------------------------------------------------------------------------------!\n! Emission Control Interface !\n! for the !\n! Detailed Emissions Scaling, Isolation, and Diagnostics (DESID) Module, !\n! part of the !\n! Community Multiscale Air Quality (CMAQ) Model !\n! developed and maintained by the !\n! Center for Environmental Measurement and Modeling (CEMM), !\n! Office of Research and Development (ORD) !\n! U.S. Environmental Protection Agency (USEPA) !\n! !\n! This namelist is consistent with CMAQv5.4 (Release AUGUST 2022) !\n! !\n! See CMAQ User's Guide Appendix B (https://github.com/USEPA/CMAQ/blob/main/ !\n! DOCS/Users_Guide/Appendix/CMAQ_UG_appendixB_emissions_control.md) !\n! and Murphy et al., Geoscientific Model Development, 14, 3407-3420, !\n! https://doi.org/10.5194/gmd-14-3407-2021, 2021. !\n!------------------------------------------------------------------------------!\n\n!------------------------------------------------------------------------------!\n! Emissions Scaling Rule Specification Component !\n! Each rule is presented as a row of inputs. The syntax of the !\n! emissions scaling rules is the following: !\n! EM_INSTR(I) = 'Region Label', 'Stream Label', 'Emission-Species', !\n! 'CMAQ-Species', 'Phase/Mode', 'Scale Factor', 'Basis', !\n! 'Operation' !\n! !\n! See the User's Guide for detailed definitions of each field. !\n! !\n! You may confirm the effect of the (default and custom) rules below by !\n! inspecting the processor-dependent log files (\"CTM_LOG_XXX...\") !\n! !\n! Note: If no rules are provided for a species, then there is no emission !\n! of that species. !\n!------------------------------------------------------------------------------!\n&Desid_ScalingVars\n Desid_Max_Rules = 2000\n/\n\n&Desid_Scaling\n Desid_Rules_nml =\n\n ! Region | Stream Label |Emission | CMAQ- |Phase/|Scale |Basis |Op \n ! Label | |Species | Species |Mode |Factor| | \n \n ! Gases \n 'EVERYWHERE', 'ALL' ,'NO2' ,'NO2' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'NO' ,'NO' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'HONO' ,'HONO' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'SO2' ,'SO2' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'NH3' ,'NH3' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'AACD' ,'AACD' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ALD2' ,'ALD2' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'FORM' ,'FORM' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'MEOH' ,'MEOH' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'FACD' ,'FACD' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'CO' ,'CO' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ALDX' ,'ALDX' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ETHA' ,'ETHA' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ETOH' ,'ETOH' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'KET' ,'KET' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PAR' ,'PAR' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ACET' ,'ACET' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PRPA' ,'PRPA' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ETHY' ,'ETHY' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ETH' ,'ETH' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'OLE' ,'OLE' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'IOLE' ,'IOLE' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ISOP' ,'ISOP' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'APIN' ,'APIN' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'TERP' ,'TERP' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'BENZ' ,'BENZENE' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'TOL' ,'TOL' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'XYLMN' ,'XYLMN' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'NAPH' ,'NAPH' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'CH4' ,'ECH4' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'CL2' ,'CL2' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'HCL' ,'HCL' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'SESQ' ,'SESQ' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'SOAALK' ,'SOAALK' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ACROLEIN','ACROLEIN' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ALD2_PRIMARY','ALD2_PRIMARY','GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'FORM_PRIMARY','FORM_PRIMARY','GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ACROLEIN','ACRO_PRIMARY','GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'BUTADIENE13','BUTADIENE13' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'TOLU' ,'TOLU' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'HGNRVA' ,'HG' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'HGIIGAS','HGIIGAS' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'SULF' ,'SULF' ,'GAS' ,0. ,'UNIT','a', \n\n ! Marine Halogen Chemistry\n 'EVERYWHERE', 'ALL' ,'DMS' ,'DMS' ,'GAS' ,1. ,'UNIT','a',\n\n\n ! Optional Air Toxics in NR namelist, comment out species if the NR namelist\n ! does not include one or more of them.\n 'EVERYWHERE', 'ALL' ,'ACRYLONITRILE','ACRY_NITRILE', 'GAS' ,1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'CARBONTET','CARBONTET', 'GAS' ,1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'PROPDICHLORIDE','PROPYL_DICL', 'GAS' ,1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'DICHLOROPROPENE','DICL_PROPENE', 'GAS' ,1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'CL4_ETHANE1122','CL4_ETHANE', 'GAS' ,1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'CHCL3','CHCL3', 'GAS' ,1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'BR2_C2_12','BR2_C2_12', 'GAS' ,1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'CL2_C2_12','CL2_C2_12', 'GAS' ,1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'ETOX','ETOX', 'GAS' ,1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'CL2_ME','CL2_ME', 'GAS' ,1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'CL4_ETHE','CL4_ETHE', 'GAS' ,1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'CL3_ETHE','CL3_ETHE', 'GAS' ,1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'CL_ETHE','CL_ETHE', 'GAS' ,1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'NAPH','NAPHTHALENE', 'GAS' ,1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'QUINOLINE','QUINOLINE', 'GAS' ,1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'HEXAMETHY_DIIS','HEXMETH_DIS', 'GAS' ,1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'HYDRAZINE','HYDRAZINE', 'GAS' ,1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'MAL_ANHYDRIDE','MAL_ANHYDRID', 'GAS' ,1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'TOL_DIIS','TOL_DIIS', 'GAS' ,1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'TRIETHYLAMINE','TRIETHYLAMIN', 'GAS' ,1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'DICHLOROBENZENE','DICL_BENZENE', 'GAS' ,1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'ACETONITRILE','ACET_NITRILE', 'GAS' ,1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'XYLENES','XYLENE', 'GAS' ,1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'STYRENE','STYRENE', 'GAS' ,1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'ACRYLICACID','ACRYACID', 'GAS' ,1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'HEXANE','HEXANE', 'GAS' ,1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'METHCHLORIDE','METHCHLORIDE', 'GAS' ,1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'CARBSULFIDE','CARBSULFIDE', 'GAS' ,1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'CHLOROPRENE','CHLOROPRENE', 'GAS' ,1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'ETHYLBENZ','ETHYLBENZENE', 'GAS' ,1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'BENZOAPYRNE','BENAPY', 'GAS' ,1. ,'UNIT','a',\n! Inert Tracers of PAH congeners for simple exposure assessments\n 'EVERYWHERE', 'ALL' , 'PAH_000E0', 'PAH_000E0', 'GAS',1.0 ,'UNIT','a',\n 'EVERYWHERE', 'ALL' , 'PAH_176E5', 'PAH_176E5', 'GAS',1.0 ,'UNIT','a',\n 'EVERYWHERE', 'ALL' , 'PAH_880E5', 'PAH_880E5', 'GAS',1.0 ,'UNIT','a',\n 'EVERYWHERE', 'ALL' , 'PAH_176E4', 'PAH_176E4', 'GAS',1.0 ,'UNIT','a',\n 'EVERYWHERE', 'ALL' , 'PAH_176E3', 'PAH_176E3', 'GAS',1.0 ,'UNIT','a',\n 'EVERYWHERE', 'ALL' , 'PAH_192E3', 'PAH_192E3', 'GAS',1.0 ,'UNIT','a',\n 'EVERYWHERE', 'ALL' , 'PAH_101E2', 'PAH_101E2', 'GAS',1.0 ,'UNIT','a',\n 'EVERYWHERE', 'ALL' , 'PAH_176E2', 'PAH_176E2', 'GAS',1.0 ,'UNIT','a',\n 'EVERYWHERE', 'ALL' , 'PAH_114E1', 'PAH_114E1', 'GAS',1.0 ,'UNIT','a',\n\n ! Default Aerosols\n 'EVERYWHERE', 'ALL' ,'SULF' ,'ASO4' ,'FINE' ,1. ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PSO4' ,'ASO4' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PNH4' ,'ANH4' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PNO3' ,'ANO3' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PCL' ,'ACL' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PNA' ,'ANA' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PEC' ,'AEC' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMOTHR' ,'AOTHR' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PFE' ,'AFE' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PAL' ,'AAL' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PSI' ,'ASI' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PTI' ,'ATI' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PCA' ,'ACA' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMG' ,'AMG' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PK' ,'AK' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMN' ,'AMN' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PH2O' ,'AH2O' ,'FINE' ,1. ,'UNIT','a', \n \n ! Coarse-Mode Inorganic Ions Scaling \n 'EVERYWHERE', 'ALL' ,'PMC' ,'ACORS' ,'COARSE',0.99675,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMC' ,'ASO4' ,'COARSE',0.001 ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMC' ,'ANO3' ,'COARSE',0.00048,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMC' ,'ACL' ,'COARSE',0.00145,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMC' ,'AH2O' ,'COARSE',0.00032,'UNIT','a', \n\n ! Particulate Hazardous Air Pollutants (HAPs), can comment individual aerosol \n ! components across mode if AE namelist does not contain them\n 'EVERYWHERE', 'ALL' 'NICKEL_F','ANI' ,'FINE' ,1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' 'NICKEL_C','ANI' ,'COARSE',1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' 'CHROMHEX_F','ACR_VI' ,'FINE' ,1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' 'CHROMHEX_C','ACR_VI' ,'COARSE',1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' 'CHROMTRI_F','ACR_III' ,'FINE' ,1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' 'CHROMTRI_C','ACR_III' ,'COARSE',1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' 'BERYLLIUM_F','ABE' ,'FINE' ,1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' 'BERYLLIUM_C','ABE' ,'COARSE',1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' 'LEAD_F','APB' ,'FINE' ,1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' 'LEAD_C','APB' ,'COARSE',1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' 'DIESEL_PMFINE','ADE_OTHR','FINE' ,1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' 'DIESEL_PMEC','ADE_EC' ,'FINE' ,1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' 'DIESEL_PMOC','ADE_OC' ,'FINE' ,1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' 'DIESEL_PMNO3','ADE_NO3' ,'FINE' ,1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' 'DIESEL_PMSO4','ADE_SO4' ,'FINE' ,1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' 'DIESEL_PMC','ADE_CORS','COARSE',1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' 'CADMIUM_F','ACD' ,'FINE' ,1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' 'CADMIUM_C','ACD' ,'COARSE',1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' 'MANGANESE_F','AMN_HAPS','FINE' ,1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' 'MANGANESE_C','AMN_HAPS','COARSE',1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' 'ARSENIC_F','AAS' ,'FINE' ,1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' 'ARSENIC_C','AAS' ,'COARSE',1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' 'PHGI','APHG' ,'FINE' ,1. ,'UNIT','a',\n\n ! Fine-Mode Primary Organic Aerosol Scaling\n ! --> Nonvolatile POA\n 'EVERYWHERE', 'ALL' ,'POC' ,'APOC' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'APNCOM' ,'FINE',0. ,'MASS','a', \n ! --> Semivolatile POA (see CMAQ User's Guide Appendix B.2.2.1)\n 'EVERYWHERE', 'ALL' ,'POC' ,'VSVPO1' ,'GAS' ,0.045,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'VSVPO1' ,'GAS' ,0.045,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'POC' ,'VSVPO2' ,'GAS' ,0.14 ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'VSVPO2' ,'GAS' ,0.14 ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'POC' ,'VSVPO3' ,'GAS' ,0.18 ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'VSVPO3' ,'GAS' ,0.18 ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'POC' ,'VIVPO1' ,'GAS' ,0.50 ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'VIVPO1' ,'GAS' ,0.50 ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'POC' ,'ALVPO1' ,'FINE',0.09 ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'ALVPO1' ,'FINE',0.09 ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'POC' ,'ASVPO1' ,'FINE',0.045,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'ASVPO1' ,'FINE',0.045,'MASS','a', \n \n ! pcSOA is a CMAQ species introduced to account for missing pathways for SOA\n ! formation from combustion sources. It accounts for IVOC oxidation as well as \n ! other phenomena (Murphy et al., ACP, 2017). It was parameterized based on data\n ! primarily from Los Angeles, where vehicle exhaust continues to dominate.\n 'EVERYWHERE', 'ALL' ,'POC' ,'PCVOC' ,'GAS' ,6.579,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'PCVOC' ,'GAS' ,6.579,'MASS','a', \n\n ! However, the added pcSOA is probably inappropriate for Fire sources, especially\n ! in its current configuration. This pathway should be zeroed out for all fire\n ! and wood-burning related sources.\n 'EVERYWHERE', 'PT_FIRES' ,'ALL' ,'PCVOC' ,'GAS' ,0.0 ,'MASS','o', \n 'EVERYWHERE', 'PT_RXFIRES' ,'ALL' ,'PCVOC' ,'GAS' ,0.0 ,'MASS','o', \n 'EVERYWHERE', 'PT_WILDFIRES' ,'ALL' ,'PCVOC' ,'GAS' ,0.0 ,'MASS','o', \n 'EVERYWHERE', 'PT_AGFIRES' ,'ALL' ,'PCVOC' ,'GAS' ,0.0 ,'MASS','o', \n 'EVERYWHERE', 'PT_OTHFIRES' ,'ALL' ,'PCVOC' ,'GAS' ,0.0 ,'MASS','o', \n 'EVERYWHERE', 'PT_FIRES_MXCA','ALL' ,'PCVOC' ,'GAS' ,0.0 ,'MASS','o', \n 'EVERYWHERE', 'GR_RES_FIRES' ,'ALL' ,'PCVOC' ,'GAS' ,0.0 ,'MASS','o', \n \n ! Wind-Blown Dust and Sea Spray Scaling\n ! Fine Components\n 'EVERYWHERE', 'ALL' ,'PMFINE_LVPO1','ALVPO1' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_LVOO1','ALVOO1' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_SO4' ,'ASO4' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_NO3' ,'ANO3' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_CL' ,'ACL' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_NH4' ,'ANH4' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_NA' ,'ANA' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_CA' ,'ACA' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_MG' ,'AMG' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_K' ,'AK' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_FE' ,'AFE' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_AL' ,'AAL' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_SI' ,'ASI' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_TI' ,'ATI' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_MN' ,'AMN' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_H2O' ,'AH2O' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_OTHR' ,'AOTHR' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_CR_III' ,'ACR_III' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_CR_VI' ,'ACR_VI' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_NI' ,'ANI' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_AS' ,'AAS' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_BE' ,'ABE' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_PHG' ,'APHG' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_PB' ,'APB' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_CD' ,'ACD' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_MN_HAPS' ,'AMN_HAPS' ,'FINE',1. ,'UNIT','a', \n\n\n ! Wind-Blown Dust and Sea Spray Scaling\n ! Coarse Components \n 'EVERYWHERE', 'ALL' ,'PMCOARSE_SO4','ASO4' ,'COARSE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMCOARSE_NO3','ANO3' ,'COARSE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMCOARSE_CL' ,'ACL' ,'COARSE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMCOARSE_H2O','AH2O' ,'COARSE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMCOARSE_SOIL','ASOIL' ,'COARSE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMCOARSE_SEACAT','ASEACAT' ,'COARSE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMCOARSE_CR_III' ,'ACR_III' ,'COARSE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMCOARSE_CR_VI' ,'ACR_VI' ,'COARSE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMCOARSE_NI' ,'ANI' ,'COARSE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMCOARSE_AS' ,'AAS' ,'COARSE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMCOARSE_BE' ,'ABE' ,'COARSE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMCOARSE_PHG' ,'APHG' ,'COARSE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMCOARSE_PB' ,'APB' ,'COARSE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMCOARSE_CD' ,'ACD' ,'COARSE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMCOARSE_MN_HAPS' ,'AMN_HAPS' ,'COARSE',1. ,'UNIT','a', \n \n/\n\n" }, { "path": "CCTM/src/MECHS/cb6r5hap_ae7_aq/NR_cb6r5hap_ae7_aq.nml", "content": "&NR_nml\n\nNR_SPECIES_DATA = \n\n!SPECIES ,MOLWT ,IC ,IC_FAC ,BC ,BC_FAC ,DRYDEP SURR ,FAC ,WET-SCAV SURR ,FAC ,NR2AE SURR ,NR2AQ SURR,TRNS ,DDEP ,WDEP ,CONC\n'NH3' , 17.0 ,'' ,-1 ,'' ,-1 ,'VD_NH3' , 1 ,'NH3' , 1 ,'NH3' ,'NH3' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVISO1' ,132.0 ,'' ,-1 ,'' ,-1 ,'VD_SVISO1' , 1 ,'SVISO1' , 1 ,'SVISO1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVISO2' ,133.0 ,'' ,-1 ,'' ,-1 ,'VD_SVISO2' , 1 ,'SVISO2' , 1 ,'SVISO2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVSQT' ,273.0 ,'' ,-1 ,'' ,-1 ,'VD_SVSQT' , 1 ,'SVSQT' , 1 ,'SVSQT' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'LVPCSOG' ,170.0 ,'' ,-1 ,'' ,-1 ,'VD_LVPCSOG' , 1 ,'ADIPIC_ACID' , 1 ,'LVPCSOG' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'SVMT1' ,300.0 ,'' ,-1 ,'' ,-1 ,'VD_SVMT1' , 1 ,'SVMT1' , 1 ,'SVMT1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVMT2' ,200.0 ,'' ,-1 ,'' ,-1 ,'VD_SVMT2' , 1 ,'SVMT2' , 1 ,'SVMT2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVMT3' ,186.0 ,'' ,-1 ,'' ,-1 ,'VD_SVMT3' , 1 ,'SVMT3' , 1 ,'SVMT3' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVMT4' ,184.0 ,'' ,-1 ,'' ,-1 ,'VD_SVMT4' , 1 ,'SVMT4' , 1 ,'SVMT4' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVMT5' ,170.0 ,'' ,-1 ,'' ,-1 ,'VD_SVMT5' , 1 ,'SVMT5' , 1 ,'SVMT5' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVMT6' ,168.0 ,'' ,-1 ,'' ,-1 ,'VD_SVMT6' , 1 ,'SVMT6' , 1 ,'SVMT6' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ACRY_NITRILE' , 53.10 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'ACRYLONITRILE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'CARBONTET' ,153.80 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'CARBONTETRACHLOR', 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'PROPYL_DICL' ,113.00 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'PROPYLENE_DICHLO', 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'DICL_PROPENE' , 99.00 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'13DICHLOROPROPEN', 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'CL4_ETHANE' ,167.90 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'1122-CL4ETHANE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'CHCL3' ,119.40 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'CHLOROFORM' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'BR2_C2_12' ,187.90 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'12DIBROMOETHANE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'CL2_C2_12' , 99.00 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'12DICHLOROETHANE', 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'ETOX' , 44.10 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'ETHYLENE_OXIDE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'CL2_ME' , 84.90 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'METHYLENE_CHLORI', 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'CL4_ETHE' ,165.80 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'PERCHLOROETHYLEN', 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'CL3_ETHE' ,131.40 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'TRICHLOROETHENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'CL_ETHE' , 62.50 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'VINYL_CHLORIDE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'NAPHTHALENE' ,128.20 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'NAPHTHALENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'QUINOLINE' ,129.20 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'QUINOLINE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'HEXMETH_DIS' ,168.20 ,'' ,-1 ,'' ,-1 ,'VD_HEXMETH_DIIS' , 1 ,'HEXAMETHYLE_DIIS', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'HYDRAZINE' , 32.00 ,'' ,-1 ,'' ,-1 ,'VD_HYDRAZINE' , 1 ,'HYDRAZINE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'MAL_ANHYDRID' , 98.00 ,'' ,-1 ,'' ,-1 ,'VD_MAL_ANHYDRIDE', 1 ,'MALEIC_ANHYDRIDE', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'TOL_DIIS' ,174.20 ,'' ,-1 ,'' ,-1 ,'VD_TOLUENE_DIIS' , 1 ,'24-TOLUENE_DIIS' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'TRIETHYLAMIN' ,101.20 ,'' ,-1 ,'' ,-1 ,'VD_TRIETHYLAMINE', 1 ,'TRIETHYLAMINE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'DICL_BENZENE' ,147.00 ,'' ,-1 ,'' ,-1 ,'VD_BENZ' , 1 ,'P_DICHLOROBENZEN', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ACET_NITRILE' , 41.05 ,'' ,-1 ,'' ,-1 ,'VD_ACETONITRILE' , 1 ,'ACETONITRILE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'XYLENE' ,106.20 ,'' ,-1 ,'' ,-1 ,'VD_XYLMN' , 1 ,'M-XYLENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'STYRENE' ,104.15 ,'' ,-1 ,'' ,-1 ,'VD_TOL' , 1 ,'STYRENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ACRYACID' , 72.06 ,'' ,-1 ,'' ,-1 ,'VD_ACRYACID' , 1 ,'ACRYACID' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'HEXANE' , 86.00 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'HEXANE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'METHCHLORIDE' , 50.40 ,'' ,-1 ,'' ,-1 ,'' , 1 ,'METHCHLORIDE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'CARBSULFIDE' , 60.10 ,'' ,-1 ,'' ,-1 ,'VD_CARBSULFIDE' , 1 ,'CARBSULFIDE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'CHLOROPRENE' , 88.50 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'CHLOROPRENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'ETHYLBENZENE' ,106.00 ,'' ,-1 ,'' ,-1 ,'VD_TOL' , 1 ,'ETHYLBENZENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'BENAPY' ,252.3 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'BENAPY' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'PAH_000E0' ,186.2 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'NAPHTHALENE' ,1.0 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'PAH_176E5' ,197.7 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'NAPHTHALENE' ,1.0 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'PAH_880E5' ,197.9 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'NAPHTHALENE' ,1.0 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'PAH_176E4' ,254.4 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'NAPHTHALENE' ,1.0 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'PAH_176E3' ,259.3 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'NAPHTHALENE' ,1.0 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'PAH_192E3' ,278.3 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'NAPHTHALENE' ,1.0 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'PAH_101E2' ,268.4 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'NAPHTHALENE' ,1.0 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'PAH_176E2' ,302.4 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'NAPHTHALENE' ,1.0 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'PAH_114E1' ,256.3 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'NAPHTHALENE' ,1.0 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes'\n/\n" }, { "path": "CCTM/src/MECHS/cb6r5hap_ae7_aq/SpecDef_Conc_cb6r5hap_ae7_aq.txt", "content": "!#start YYYYJJJ 010000\n!#end YYYYJJJ 000000\n#layer 1\n\n/\n! This Species Definition File is for Use with the COMBINE tool built for \n! post-processing CMAQ output. It is compatible with CMAQv5.4.\n! Date: May 12 2017\n\n! Output variables that begin with 'PM' represent those in which a size cut was \n! applied based on modeled aerosol mode parameters. For example, PM25_NA is all \n! sodium that falls below 2.5 um diameter. These 'PM' variables are used for \n! comparisons at IMPROVE and CSN sites.\n\n! Output variables that begin with 'PMAMS' represent the mass that would have\n! been detected by an Aerosol Mass Spectrometer.\n\n! Output variables beginning with 'A' (aside from AIR_DENS) represent a \n! combination of aerosol species in which no size cut was applied. For example, \n! ASO4IJ is the sum of i-mode and j-mode sulfate. These 'A' variables are used \n! for comparisons at CASTNet sites.\n\n! Output variables beginning with 'PMC' refer to the coarse fraction of total PM,\n! computed by summing all modes and subtracting the PM2.5 fraction. These 'PMC'\n! variables are used for comparisons at SEARCH sites.\n\n! This Species Definition File is just for use with the uncoupled, offline CMAQ,\n! model. If you are processing WRF-CMAQ results, a different Species Definition\n! file is required.\n\n/ File [1]: CMAQ conc/aconc file\n/ File [2]: METCRO3D file\n/ File [3]: ELMO/AELMO file\n/ File [4]: METCRO2D file\n/\n/new species ,units ,expression\n \n!-------------------------------------------!\n!------------- Meteorology -----------------!\n!-------------------------------------------!\nAIR_DENS ,kg m-3 ,DENS[2]\nRH ,% ,100.00*RH[3]\nSFC_TMP ,C ,(TEMP2[4]-273.15)\nPBLH ,m ,PBL[4]\nSOL_RAD ,W m-2 ,RGRND[4]\nprecip ,cm ,RC[4]>=0 ? RN[4]+RC[4] : RN[4]\nWSPD10 ,m s-1 ,WSPD10[4]\nWDIR10 ,deg ,WDIR10[4]\n\n!-------------------------------------------!\n!--------------- Gases ---------------------!\n!-------------------------------------------!\nALD2 ,ppbV ,1000.0*ALD2[1]\nBENZENE ,ppbV ,1000.0*BENZENE[1]\nCO ,ppbV ,1000.0*CO[1]\nETH ,ppbV ,1000.0*ETH[1]\nETHA ,ppbV ,1000.0*ETHA[1]\nFORM ,ppbV ,1000.0*FORM[1]\nH2O2 ,ppbV ,1000.0*H2O2[1]\nHNO3 ,ppbV ,1000.0*HNO3[1]\nHNO3_UGM3 ,ug m-3 ,1000.0*(HNO3[1]*2.1756*DENS[2])\nHONO ,ppbV ,1000.0*HONO[1]\nHOX ,ppbV ,1000.0*(OH[1]+HO2[1])\nOH ,ppbV ,1000.0*(OH[1])\nISOP ,ppbV ,1000.0*ISOP[1]\nN2O5 ,ppbV ,1000.0*N2O5[1]\nNH3 ,ppbV ,1000.0*NH3[1]\nNH3_UGM3 ,ug m-3 ,1000.0*(NH3[1]*0.5880*DENS[2])\nNHX ,ug m-3 ,1000.0*(NH3[1]*0.5880*DENS[2])+ANH4I[1]+ANH4J[1]+ANH4K[1]\nNO ,ppbV ,1000.0*NO[1]\nNO2 ,ppbV ,1000.0*NO2[1]\nNOX ,ppbV ,1000.0*(NO[1] + NO2[1])\nANO3_PPB ,ppbV ,(ANO3I[1]+ANO3J[1]+ANO3K[1])/(DENS[2]*(62.0/28.97))\nNTR ,ppbV ,1000.0*(NTR1[1]+NTR2[1]+INTR[1])\nPANS ,ppbV ,1000.0*(PAN[1]+PANX[1]+OPAN[1])\nNOY ,ppbV ,1000.0* (NO[1]+NO2[1]+NO3[1]+2*N2O5[1]+HONO[1]+HNO3[1]+PNA[1] \\\n +CRON[1]+CLNO2[1]+CLNO3[1]) \\\n +PANS[0]+NTR[0]+ANO3_PPB[0]\nO3 ,ppbV ,1000.0*O3[1]\nSO2 ,ppbV ,1000.0*SO2[1]\nSO2_UGM3 ,ug m-3 ,1000.0*(SO2[1]*2.2118*DENS[2])\nTERP ,ppbV ,1000.0*TERP[1]\nTOL ,ppbV ,1000.0*TOL[1]\nXYL ,ppbV ,1000.0*XYLMN[1]\n \n!! Additional Global, Regional and Urban Toxic gases\nACROLEIN ,ug/m3 ,1000.0*(ACROLEIN[1]*1.9365*DENS[2]) \nACRY_NITRILE ,ug/m3 ,1000.0*(ACRY_NITRILE[1]*1.8329*DENS[2]) \nALD2_UGM3 ,ug/m3 ,1000.0*(ALD2[1]*1.5188*DENS[2]) \nALD2_PRIMARY ,ug/m3 ,1000.0*(ALD2_PRIMARY[1]*1.5188*DENS[2]) \nBENZENE_UGM3 ,ug/m3 ,1000.0*(BENZENE[1]*2.6959*DENS[2]) \nBR2_C2_12 ,ug/m3 ,1000.0*(BR2_C2_12[1]*6.4860*DENS[2]) \nBUTADIENE13 ,ug/m3 ,1000.0*(BUTADIENE13[1]*1.8674*DENS[2]) \nCHCL3 ,ug/m3 ,1000.0*(CHCL3[1]*4.1215*DENS[2]) \nCL_ETHE ,ug/m3 ,1000.0*(CL_ETHE[1]*2.1574*DENS[2]) \nCL2 ,ppbV ,1000.0*CL2[1] \nCL2_C2_12 ,ug/m3 ,1000.0*(CL2_C2_12[1]*3.4173*DENS[2]) \nCL2_ME ,ug/m3 ,1000.0*(CL2_ME[1]*2.9306*DENS[2]) \nCL3_ETHE ,ug/m3 ,1000.0*(CL3_ETHE[1]*4.5357*DENS[2]) \nCL4_ETHE ,ug/m3 ,1000.0*(CL4_ETHE[1]*5.7232*DENS[2]) \nCL4_ETHANE ,ug/m3 ,1000.0*(CL4_ETHANE[1]*5.7956*DENS[2]) \nCARBONTET ,ug/m3 ,1000.0*(CARBONTET[1]*5.3089*DENS[2]) \nDICL_BENZENE ,ug/m3 ,1000.0*(DICL_BENZENE[1]*5.069*DENS[2]) \nDICL_PROPENE ,ug/m3 ,1000.0*(DICL_PROPENE[1]*3.8316*DENS[2]) \nETOH ,ppbV ,1000.0*ETOH[1] \nETOX ,ug/m3 ,1000.0*(ETOX[1]*1.5223*DENS[2]) \nFORM_UGM3 ,ug/m3 ,1000.0*(FORM[1]*1.0356*DENS[2]) \nFORM_PRIMARY ,ug/m3 ,1000.0*(FORM_PRIMARY[1]*1.0356*DENS[2]) \nHCL ,ppbV ,1000.0*HCL[1] \nHEXMETH_DIS ,ug/m3 ,1000.0*(HEXMETH_DIS[1]*5.8000*DENS[2]) \nHYDRAZINE ,ug/m3 ,1000.0*(HYDRAZINE[1]*3.3793*DENS[2]) \nMEOH ,ppbV ,1000.0*MEOH[1] \nXYLENE ,ppbV ,1000.0*XYLENE[1] \nMAL_ANHYDRID ,ug/m3 ,1000.0*(MAL_ANHYDRID[1]*3.3843*DENS[2]) \nNAPHTHALENE ,ug/m3 ,1000.0*(NAPHTHALENE[1]*4.4253*DENS[2]) \nPROPY_DICL ,ug/m3 ,1000.0*(PROPYL_DICL[1]*3.9006*DENS[2]) \nQUINOLINE ,ug/m3 ,1000.0*(QUINOLINE[1]*4.4598*DENS[2]) \nTOLU ,ppbV ,1000.0*TOLU[1] \nTOL_DIIS ,ug/m3 ,1000.0*(TOL_DIIS[1]*6.0069*DENS[2]) \nTRIETHYLAMIN ,ug/m3 ,1000.0*(TRIETHYLAMIN[1]*3.4986*DENS[2]) \nACET_NITRILE ,ug/m3 ,1000.0*(ACET_NITRILE[1]*1.4155*DENS[2]) \nSTYRENE ,ug/m3 ,1000.0*(STYRENE[1]*3.5914*DENS[2]) \nACRYACID ,ug/m3 ,1000.0*(ACRYACID[1]*2.4849*DENS[2]) \nHEXANE ,ug/m3 ,1000.0*(HEXANE[1]*2.9717*DENS[2]) \nMETHCHLORIDE ,ug/m3 ,1000.0*(METHCHLORIDE[1]*1.7410*DENS[2]) \nCARBSULFIDE ,ug/m3 ,1000.0*(CARBSULFIDE[1]*2.0714*DENS[2]) \nCHLOROPRENE ,ug/m3 ,1000.0*(CHLOROPRENE[1]*3.0530*DENS[2]) \nETHYLBENZENE ,ug/m3 ,1000.0*(ETHYLBENZENE[1]*3.6610*DENS[2]) \n\n!! Inert PAH tracers\nPAH_000E0 ,ug/m3 ,1000.0*(PAH_000E0[1]*6.4340*DENS[2])\nPAH_176E5 ,ug/m3 ,1000.0*(PAH_176E5[1]*6.8314*DENS[2])\nPAH_880E5 ,ug/m3 ,1000.0*(PAH_880E5[1]*6.8383*DENS[2])\nPAH_176E4 ,ug/m3 ,1000.0*(PAH_176E4[1]*8.7907*DENS[2])\nPAH_176E3 ,ug/m3 ,1000.0*(PAH_176E3[1]*9.6166*DENS[2])\nPAH_192E3 ,ug/m3 ,1000.0*(PAH_192E3[1]*9.2745*DENS[2])\nPAH_101E2 ,ug/m3 ,1000.0*(PAH_101E2[1]*10.4493*DENS[2])\nPAH_176E2 ,ug/m3 ,1000.0*(PAH_176E2[1]*8.8556*DENS[2])\nPAH_114E1 ,ug/m3 ,1000.0*(PAH_114E1[1]*3.3793*DENS[2])\n\n!Mercuric gas species\nHG_0 ,ng/m3 ,1000.0*(HG[1]*8.3330*DENS[2]*1000.0) \nHG_II ,ng/m3 ,1000.0*(HGIIGAS[1]*8.3330*DENS[2]*1000.0) \n\n!! Unused Gases. Presented Here for illustration. Users can uncomment\n!! them if they choose.\n!ALDX ,ppbV ,1000.0*ALDX[1]\n!CLNO2 ,ppbV ,1000.0*CLNO2[1] \n!IOLE ,ppbV ,1000.0*IOLE[1]\n!OLE ,ppbV ,1000.0*OLE[1]\n!PAR ,ppbV ,1000.0*PAR[1]\n!PAN ,ppbV ,1000.0*PAN[1]\n!PANX ,ppbV ,1000.0*PANX[1]\n!SULF ,ppbV ,1000.0*SULF[1]\n!VOC ,ppbC ,1000.0* ( PAR[1] + 2.0*ETH[1] + MEOH[1] + 2.0*ETOH[1] \\\n! +2.0*OLE[1] + 7.0*TOL[1] + 8.0*XYLMN[1]+ FORM[1] \\\n! +2.0*ALD2[1] + 2.0*ETHA[1] + 4.0*IOLE[1] + 2.0*ALDX[1] \\\n! +5.0*ISOP[1] + 10.0*TERP[1]+ 10.0*NAPH[1])\n \n!! DMS and MSA. Users can uncomment them if they choose.\nDMS ,ppbV ,1000.0*DMS[1]\nMSA ,ppbV ,1000.0*MSA[1]\n\n!-------------------------------------------!\n!--------------- Particles -----------------!\n!-------------------------------------------!\n!! Crustal Elements\nAFEJ ,ug m-3 ,AFEJ[1]\nAALJ ,ug m-3 ,AALJ[1]\nASIJ ,ug m-3 ,ASIJ[1]\nATIJ ,ug m-3 ,ATIJ[1]\nACAJ ,ug m-3 ,ACAJ[1]\nAMGJ ,ug m-3 ,AMGJ[1]\nAKJ ,ug m-3 ,AKJ[1]\nAMNJ ,ug m-3 ,AMNJ[1]\nASOILJ ,ug m-3 ,2.20*AALJ[1]+2.49*ASIJ[1]+1.63*ACAJ[1]+2.42*AFEJ[1]+1.94*ATIJ[1]\n\n!! Non-Crustal Inorganic Particle Species\nAHPLUSIJ ,umol m-3 ,(AH3OPI[1]+AH3OPJ[1])*1.0/19.0\nANAK ,ug m-3 ,0.8373*ASEACAT[1]+0.0626*ASOIL[1]+0.0023*ACORS[1]\nAMGK ,ug m-3 ,0.0997*ASEACAT[1]+0.0170*ASOIL[1]+0.0032*ACORS[1]\nAKK ,ug m-3 ,0.0310*ASEACAT[1]+0.0242*ASOIL[1]+0.0176*ACORS[1]\nACAK ,ug m-3 ,0.0320*ASEACAT[1]+0.0838*ASOIL[1]+0.0562*ACORS[1]\nACLIJ ,ug m-3 ,ACLI[1]+ACLJ[1]\nAECIJ ,ug m-3 ,AECI[1]+AECJ[1]\nANAIJ ,ug m-3 ,ANAJ[1]+ANAI[1]\nANO3IJ ,ug m-3 ,ANO3I[1]+ANO3J[1]\nANO3K ,ug m-3 ,ANO3K[1]\nTNO3 ,ug m-3 ,2175.6*(HNO3[1]*DENS[2])+ANO3I[1]+ANO3J[1]+ANO3K[1]\nANH4IJ ,ug m-3 ,ANH4I[1]+ANH4J[1]\nANH4K ,ug m-3 ,ANH4K[1]\nASO4IJ ,ug m-3 ,ASO4I[1]+ASO4J[1]\nASO4K ,ug m-3 ,ASO4K[1]\n\n!! Organic Particle Species\nAPOCI ,ugC m-3 ,ALVPO1I[1]/1.39 + ASVPO1I[1]/1.32 + ASVPO2I[1]/1.26 \\\n +APOCI[1]\nAPOCJ ,ugC m-3 ,ALVPO1J[1]/1.39 + ASVPO1J[1]/1.32 + ASVPO2J[1]/1.26 \\\n +ASVPO3J[1]/1.21 + AIVPO1J[1]/1.17 + APOCJ[1]\nAPOCIJ ,ugC m-3 ,APOCI[0] + APOCJ[0]\n\nAPOMI ,ug m-3 ,ALVPO1I[1] + ASVPO1I[1] + ASVPO2I[1] + APOCI[1] \\\n +APNCOMI[1]\nAPOMJ ,ug m-3 ,ALVPO1J[1] + ASVPO1J[1] + ASVPO2J[1] + APOCJ[1] \\\n +ASVPO3J[1] + AIVPO1J[1] + APNCOMJ[1]\nAPOMIJ ,ug m-3 ,APOMI[0] + APOMJ[0]\n\nASOCI ,ugC m-3 ,ALVOO1I[1]/2.27 + ALVOO2I[1]/2.06 \\\n +ASVOO1I[1]/1.88 + ASVOO2I[1]/1.73\nASOCJ ,ugC m-3 ,AISO1J[1]/2.20 + AISO2J[1]/2.23 + AISO3J[1]/2.80 \\\n +AMT1J[1]/1.67 + AMT2J[1]/1.67 + AMT3J[1]/1.72 \\\n +AMT4J[1]/1.53 + AMT5J[1]/1.57 + AMT6J[1]/1.40 \\\n +AMTNO3J[1]/1.90 + AMTHYDJ[1]/1.54 \\\n +AGLYJ[1]/2.13 + ASQTJ[1]/1.52 \\\n +AORGCJ[1]/2.00 + AOLGBJ[1]/2.10 + AOLGAJ[1]/2.50 \\\n +ALVOO1J[1]/2.27 + ALVOO2J[1]/2.06 + ASVOO1J[1]/1.88 \\\n +ASVOO2J[1]/1.73 + ASVOO3J[1]/1.60 \\\n +AAVB1J[1]/2.70 + AAVB2J[1]/2.35 + AAVB3J[1]/2.17 \\\n +AAVB4J[1]/1.99 + APCSOJ[1]/2.00\nASOCIJ ,ugC m-3 ,ASOCI[0] + ASOCJ[0]\n\nASOMI ,ug m-3 ,ALVOO1I[1] + ALVOO2I[1] + ASVOO1I[1] + ASVOO2I[1] \nASOMJ ,ug m-3 ,+AISO1J[1]+ AISO2J[1] + AISO3J[1] \\\n +AMT1J[1] + AMT2J[1] + AMT3J[1] \\\n +AMT4J[1] + AMT5J[1] + AMT6J[1] \\\n +AMTNO3J[1] + AMTHYDJ[1] \\\n +AGLYJ[1] + ASQTJ[1] \\\n +AORGCJ[1] + AOLGBJ[1] + AOLGAJ[1] \\\n +ALVOO1J[1] + ALVOO2J[1] + ASVOO1J[1] \\\n +ASVOO2J[1] + ASVOO3J[1] + APCSOJ[1] \\\n +AAVB1J[1] + AAVB2J[1] + AAVB3J[1] \\\n +AAVB4J[1]\nASOMIJ ,ug m-3 ,ASOMI[0] + ASOMJ[0]\n \nAOCI ,ugC m-3 ,APOCI[0] + ASOCI[0]\nAOCJ ,ugC m-3 ,APOCJ[0] + ASOCJ[0]\n\nAOCIJ ,ugC m-3 ,APOCIJ[0] + ASOCIJ[0]\n\n\nAOMI ,ug m-3 ,APOMI[0] + ASOMI[0]\nAOMJ ,ug m-3 ,APOMJ[0] + ASOMJ[0]\n\nAOMIJ ,ug m-3 ,APOMIJ[0] + ASOMIJ[0]\n\n!!! Anthropogenic-VOC Derived Organic Aerosol\nAORGAI ,ug m-3 ,ALVOO1I[1] + ALVOO2I[1] + ASVOO1I[1] \\ \n +ASVOO2I[1]\nAORGAJ ,ug m-3 ,ALVOO1J[1] + ALVOO2J[1] \\\n +ASVOO1J[1] + ASVOO2J[1] + ASVOO3J[1] \\\n +AAVB1J[1] + AAVB2J[1] + AAVB3J[1] \\\n +AAVB4J[1] + AOLGAJ[1] + APCSOJ[1] \nAORGAIJ ,ug m-3 ,AORGAI[0] + AORGAJ[0] \n\n!!! Biogenic-VOC Derived Organic Aerosol\nAORGBIJ ,ug m-3 ,AMT1J[1] + AMT2J[1] + AMT3J[1] + AMT4J[1] \\\n +AMT5J[1] + AMT6J[1] + AMTNO3J[1] \\\n +AMTHYDJ[1] + AISO1J[1] + AISO2J[1] \\\n +AISO3J[1] + ASQTJ[1] + AOLGBJ[1] \n\n!!! Cloud-Processed SOA\nAORGCJ ,ug m-3 ,AORGCJ[1]\n!!! Remaining SOA\nAGLYJ ,ug m-3 ,AGLYJ[1]\n\n!!! OM/OC ratios\nAOMOCRAT_TOT , ,AOMIJ[0]/AOCIJ[0]\n\n!! Total PM Aggregates\nATOTI ,ug m-3 ,ASO4I[1] + ANH4I[1] + ANO3I[1] + ANAI[1] \\\n +ACLI[1] + AECI[1] + AOMI[0] + AOTHRI[1] \nATOTJ ,ug m-3 ,ASO4J[1] + ANH4J[1] + ANO3J[1] + ANAJ[1] \\\n +ACLJ[1] + AECJ[1] + AOMJ[0] + AOTHRJ[1] \\\n +AFEJ[1] + AALJ[1] + ASIJ[1] + ATIJ[1] \\\n +ACAJ[1] + AMGJ[1] + AKJ[1] + AMNJ[1] \n \nATOTK ,ug m-3 ,ASO4K[1] + ANH4K[1] + ANO3K[1] + ACLK[1] \\\n +ACORS[1] + ASOIL[1] + ASEACAT[1] \nATOTIJ ,ug m-3 ,ATOTI[0] + ATOTJ[0] \nATOTIJK ,ug m-3 ,ATOTI[0] + ATOTJ[0] + ATOTK[0]\n\n!! Unspeciated PM including non-carbon organic mass\nAUNSPEC1IJ ,ug m-3 ,ATOTIJ[0] - (ASO4IJ[0] + ANO3IJ[0] \\\n +ANH4IJ[0] + ACLIJ[0] \\\n +ANAIJ[0] + AECIJ[0] \\\n +AOCIJ[0] + ASOILJ[0]) \n!! Non-Carbon Organic Mass\nANCOMIJ ,ug m-3 ,AOMIJ[0] - AOCIJ[0]\n\n!! Unspeciated PM excluding non-carbon organic mass\nAUNSPEC2IJ ,ug m-3 ,AUNSPEC1IJ[0] - ANCOMIJ[0]\n\n!! AMS Projection of Output Concentrations\nPMAMS_CL ,ug m-3 ,ACLI[1] *FAMSAIT[3] +ACLJ[1]*FAMSACC[3]+ACLK[1] *FAMSCOR[3]\nPMAMS_NH4 ,ug m-3 ,ANH4I[1]*FAMSAIT[3]+ANH4J[1]*FAMSACC[3]+ANH4K[1]*FAMSCOR[3]\nPMAMS_NO3 ,ug m-3 ,ANO3I[1]*FAMSAIT[3]+ANO3J[1]*FAMSACC[3]+ANO3K[1]*FAMSCOR[3]\nPMAMS_OA ,ug m-3 ,AOMI[0] *FAMSAIT[3]+AOMJ[0] *FAMSACC[3]\nPMAMS_SO4 ,ug m-3 ,ASO4I[1]*FAMSAIT[3]+ASO4J[1]*FAMSACC[3]+ASO4K[1]*FAMSCOR[3]\n\n!! PM1 Cutoff Output\nPM1_TOT ,ug m-3 ,ATOTI[0]*FPM1AIT[3]+ATOTJ[0]*FPM1ACC[3]+ATOTK[0]*FPM1COR[3]\n\n!! Unused PM1 Species. Included Here for demonstration\n!PM1_EC ,ug m-3 ,AECI[1] *FPM1AIT[3] +AECJ[1] *FPM1ACC[3]\n!PM1_OC ,ugC m-3 ,AOCI[0] *FPM1AIT[3] +AOCJ[0] *FPM1ACC[3]\n!PM1_OM ,ug m-3 ,AOMI[0] *FPM1AIT[3] +AOMJ[0] *FPM1ACC[3]\n!PM1_SO4 ,ug m-3 ,ASO4I[1]*FPM1AIT[3] +ASO4J[1]*FPM1ACC[3] +ASO4K[1]*FPM1COR[3]\n!PM1_CL ,ug m-3 ,ACLI[1] *FPM1AIT[3] +ACLJ[1] *FPM1ACC[3] +ACLK[1] *FPM1COR[3]\n!PM1_NA ,ug m-3 ,ANAI[1] *FPM1AIT[3] +ANAJ[1] *FPM1ACC[3] +ANAK[0] *FPM1COR[3]\n!PM1_MG ,ug m-3 , AMGJ[1] *FPM1ACC[3] +AMGK[0] *FPM1COR[3]\n!PM1_K ,ug m-3 , AKJ[1] *FPM1ACC[3] +AKK[0] *FPM1COR[3]\n!PM1_CA ,ug m-3 , ACAJ[1] *FPM1ACC[3] +ACAK[0] *FPM1COR[3]\n!PM1_NH4 ,ug m-3 ,ANH4I[1] *FPM1AIT[3]+ANH4J[1]*FPM1ACC[3] +ANH4K[1]*FPM1COR[3]\n!PM1_NO3 ,ug m-3 ,ANO3I[1] *FPM1AIT[3]+ANO3J[1]*FPM1ACC[3] +ANO3K[1]*FPM1COR[3] \n!PM1_SOIL ,ug m-3 ,ASOILJ[0]*FPM1ACC[3]+(ASOIL[1]+ACORS[1])*FPM1COR[3]\n!PM1_UNSPEC1 ,ug m-3 ,PM1_TOT[0] - (PM1_CL[0] + PM1_EC[0]+ PM1_NA[0] + PM1_NH4[0] + \\\n! PM1_NO3[0]+ PM1_OC[0]+ PM1_SOIL[0]+ PM1_SO4[0] ) \n!PM1_UNSPCRS ,ug m-3 ,ATOTK[0] *FPM1COR[3] - (ASO4K[1]*FPM1COR[3] \\\n! +ACLK[1]*FPM1COR[3] \\\n! +ANAK[0]*FPM1COR[3] \\\n! +AMGK[0]*FPM1COR[3] \\\n! +AKK[0]*FPM1COR[3] \\\n! +ACAK[0]*FPM1COR[3] \\\n! +ANH4K[1]*FPM1COR[3] \\\n! +ANO3K[1]*FPM1COR[3]) \n \n!! PM2.5 species computed using modeled size distribution\nPM25_HP ,ug m-3 ,(AH3OPI[1]*FPM25AIT[3]+AH3OPJ[1]*FPM25ACC[3]+AH3OPK[1]*FPM25COR[3])*1.0/19.0\nPM25_CL ,ug m-3 ,ACLI[1]*FPM25AIT[3]+ACLJ[1]*FPM25ACC[3]+ACLK[1]*FPM25COR[3]\nPM25_EC ,ug m-3 ,AECI[1]*FPM25AIT[3]+AECJ[1]*FPM25ACC[3]\nPM25_NA ,ug m-3 ,ANAI[1]*FPM25AIT[3]+ANAJ[1]*FPM25ACC[3]+ANAK[0]*FPM25COR[3]\nPM25_MG ,ug m-3 , AMGJ[1]*FPM25ACC[3]+AMGK[0]*FPM25COR[3]\nPM25_K ,ug m-3 , AKJ[1] *FPM25ACC[3]+AKK[0] *FPM25COR[3]\nPM25_CA ,ug m-3 , ACAJ[1]*FPM25ACC[3]+ACAK[0]*FPM25COR[3]\nPM25_NH4 ,ug m-3 ,ANH4I[1]*FPM25AIT[3]+ANH4J[1]*FPM25ACC[3]+ANH4K[1]*FPM25COR[3]\nPM25_NO3 ,ug m-3 ,ANO3I[1]*FPM25AIT[3]+ANO3J[1]*FPM25ACC[3]+ANO3K[1]*FPM25COR[3]\nPM25_OC ,ugC m-3 ,AOCI[0] *FPM25AIT[3]+AOCJ[0]*FPM25ACC[3]\nPM25_OM ,ug m-3 ,AOMI[0] *FPM25AIT[3]+AOMJ[0]*FPM25ACC[3]\nPM25_SOIL ,ug m-3 ,ASOILJ[0]*FPM25ACC[3]+ASOIL[1]*FPM25COR[3]\nPM25_SO4 ,ug m-3 ,ASO4I[1]*FPM25AIT[3]+ASO4J[1]*FPM25ACC[3]+ASO4K[1]*FPM25COR[3]\nPM25_TOT ,ug m-3 ,ATOTI[0]*FPM25AIT[3]+ATOTJ[0]*FPM25ACC[3]+ATOTK[0]*FPM25COR[3]\nPM25_UNSPEC1 ,ug m-3 ,PM25_TOT[0]-(PM25_CL[0]+PM25_EC[0]+PM25_NA[0]+PM25_NH4[0] \\\n +PM25_NO3[0]+PM25_OC[0]+PM25_SOIL[0]+PM25_SO4[0])\nPM25_UNSPCRS ,ug m-3 ,ATOTK[0]*FPM25COR[3] - (ASO4K[1]*FPM25COR[3] \\\n +ACLK[1]*FPM25COR[3] \\\n +ANAK[0]*FPM25COR[3] \\\n +AMGK[0]*FPM25COR[3] \\\n +AKK[0]*FPM25COR[3] \\\n +ACAK[0]*FPM25COR[3] \\\n +ANH4K[1]*FPM25COR[3] \\\n +ANO3K[1]*FPM25COR[3]) \n\n\n!! Fine particle acidity (pH). pH is undefined if there is no aerosol water. \n!Do not trust predictions when hourly water is <0.01 ug m-3. FINEPHF will \n!have large negative value (-9.999E36) when pH is not to be trusted.\n!AH2OIJ ,ug m-3 ,AH2OI[1]+AH2OJ[1]\n!HPMOLAL ,mol kg-1 ,AHPLUSIJ[0]/AH2OIJ[0]*1000.0\n!ACIDITYTEMP , ,-1*LOG10(HPMOLAL[0])\n!FINEPHF , ,AH2OIJ[0]>0.01 ? ACIDITYTEMP[0] : -9.999E36\n\n!! PM10.0 and Coarse-Sized Species\nPM10 ,ug m-3 ,ATOTI[0]*FPM10AIT[3]+ATOTJ[0]*FPM10ACC[3]+ATOTK[0]*FPM10COR[3]\n\nPMC_CL ,ug m-3 ,ACLI[1]*FPM10AIT[3] +ACLJ[1]*FPM10ACC[3] +ACLK[1]*FPM10COR[3] -PM25_CL[0]\nPMC_NA ,ug m-3 ,ANAI[1]*FPM10AIT[3] +ANAJ[1]*FPM10ACC[3] +ANAK[0]*FPM10COR[3] -PM25_NA[0]\nPMC_NH4 ,ug m-3 ,ANH4I[1]*FPM10AIT[3]+ANH4J[1]*FPM10ACC[3]+ANH4K[1]*FPM10COR[3]-PM25_NH4[0]\nPMC_NO3 ,ug m-3 ,ANO3I[1]*FPM10AIT[3]+ANO3J[1]*FPM10ACC[3]+ANO3K[1]*FPM10COR[3]-PM25_NO3[0]\nPMC_SO4 ,ug m-3 ,ASO4I[1]*FPM10AIT[3]+ASO4J[1]*FPM10ACC[3]+ASO4K[1]*FPM10COR[3]-PM25_SO4[0]\nPMC_TOT ,ug m-3 ,PM10[0]-PM25_TOT[0]\n\n!! Deisel PM Species\nDIESEL_PM10 ,ug m-3 ,ADE_OTHRI[1]*FPM10AIT[3] + ADE_OTHRJ[1]*FPM10ACC[3] \\\n +ADE_ECI[1] *FPM10AIT[3] + ADE_ECJ[1] *FPM10ACC[3] \\\n +ADE_OCI[1] *FPM10AIT[3] + ADE_OCJ[1] *FPM10ACC[3] \\\n + ADE_SO4J[1] *FPM10ACC[3] \\\n + ADE_NO3J[1] *FPM10ACC[3] \\\n + ADE_CORS[1] *FPM10COR[3] \nDIESEL_PM25 ,ug m-3 ,ADE_OTHRI[1]*FPM25AIT[3] + ADE_OTHRJ[1]*FPM25ACC[3] \\\n +ADE_ECI[1] *FPM25AIT[3] + ADE_ECJ[1] *FPM25ACC[3] \\\n +ADE_OCI[1] *FPM25AIT[3] + ADE_OCJ[1] *FPM25ACC[3] \\\n + ADE_SO4J[1] *FPM25ACC[3] \\\n + ADE_NO3J[1] *FPM25ACC[3] \\\n + ADE_CORS[1] *FPM25COR[3] \n \n!!Benzo-A-Pyrene, gas and aerosol species\nBAP_GAS ,ng/m3 ,1.0e6*8.7017*BENAPY[1]*DENS[2] , gas phase benzo-a-pyrene\nBAP_AERO ,ng/m3 ,1000.0*(ABENAPYI[1]+ABENAPYJ[1]) , fine aerosol phase benzo-a-pyrene\nBAP_FAERO , ,BAP_AERO[0]/(BAP_AERO[0]+BAP_GAS[0]), aerosol fraction benzo-a-pyrene\nBAP_PM10 ,ng/m3 ,1000.0*(ABENAPYI[1]*FPM10AIT[3] + ABENAPYJ[1]*FPM10ACC[3])\nBAP_PM25 ,ng/m3 ,1000.0*(ABENAPYI[1]*FPM25AIT[3] + ABENAPYJ[1]*FPM25ACC[3])\n \n!Toxic Metallic PM species\nBERYLLIUM_PM10 ,ng m-3 ,1000.0*(ABEI[1]*FPM10AIT[3] + ABEJ[1]*FPM10ACC[3])\nBERYLLIUM_PM25 ,ng m-3 ,1000.0*(ABEI[1]*FPM25AIT[3] + ABEJ[1]*FPM25ACC[3])\nCADMIUM_PM10 ,ng m-3 ,1000.0*(ACDI[1]*FPM10AIT[3] + ACDJ[1]*FPM10ACC[3])\nCADMIUM_PM25 ,ng m-3 ,1000.0*(ACDI[1]*FPM25AIT[3] + ACDJ[1]*FPM25ACC[3])\nCR_III_PM10 ,ng m-3 ,1000.0*(ACR_IIII[1]*FPM10AIT[3] + ACR_IIIJ[1]*FPM10ACC[3])\nCR_III_PM25 ,ng m-3 ,1000.0*(ACR_IIII[1]*FPM25AIT[3] + ACR_IIIJ[1]*FPM25ACC[3])\nCR_VI_PM10 ,ng m-3 ,1000.0*(ACR_VII[1]*FPM10AIT[3] + ACR_VIJ[1]*FPM10ACC[3])\nCR_VI_PM25 ,ng m-3 ,1000.0*(ACR_VII[1]*FPM25AIT[3] + ACR_VIJ[1]*FPM25ACC[3])\nCHROMIUM_PM10 ,ng m-3 ,CR_III_PM10[0] + CR_VI_PM10[0]\nCHROMIUM_PM25 ,ng m-3 ,CR_III_PM25[0] + CR_VI_PM25[0]\nLEAD_PM10 ,ng m-3 ,1000.0*(APBI[1]*FPM10AIT[3] + APBJ[1]*FPM10ACC[3])\nLEAD_PM25 ,ng m-3 ,1000.0*(APBI[1]*FPM25AIT[3] + APBJ[1]*FPM25ACC[3])\nMANGANESE_PM10 ,ng m-3 ,1000.0*(AMN_HAPSI[1]*FPM10AIT[3] + AMN_HAPSJ[1]*FPM10ACC[3])\nMANGANESE_PM25 ,ng m-3 ,1000.0*(AMN_HAPSI[1]*FPM25AIT[3] + AMN_HAPSJ[1]*FPM25ACC[3])\nNICKEL_PM10 ,ng m-3 ,1000.0*(ANII[1]*FPM10AIT[3] + ANIJ[1]*FPM10ACC[3])\nNICKEL_PM25 ,ng m-3 ,1000.0*(ANII[1]*FPM25AIT[3] + ANIJ[1]*FPM25ACC[3])\nARSENIC_PM10 ,ng m-3 ,1000.0*(AASI[1]*FPM10AIT[3] + AASJ[1]*FPM10ACC[3])\nARSENIC_PM25 ,ng m-3 ,1000.0*(AASI[1]*FPM25AIT[3] + AASJ[1]*FPM25ACC[3])\n\n!Mercuric PM species\nHG_PM10 ,ng m-3 ,1000.0*(APHGI[1]*FPM10AIT[3] + APHGJ[1]*FPM10ACC[3])\nHG_PM25 ,ng m-3 ,1000.0*(APHGI[1]*FPM25AIT[3] + APHGJ[1]*FPM25ACC[3])\n \n!! FRM PM Equivalent Calculation\n!! This section calculates the FRM applicable PM species, PMIJ_FRM and\n!! PM25_FRM. The intermediate variablse K...ANH4IJ_loss are needed to \n!! calculate the final quantities.\nK ,ppb2 ,exp(118.87-24084/TEMP2[4]-6.025*log(TEMP2[4]))\nP1 , ,exp(8763/TEMP2[4]+19.12*log(TEMP2[4])-135.94)\nP2 , ,exp(9969/TEMP2[4]+16.22*log(TEMP2[4])-122.65)\nP3 , ,exp(13875/TEMP2[4]+24.46*log(TEMP2[4])-182.61)\na , ,1-RH[0]/100\nK_prime ,ppb2 ,(P1[0]-P2[0]*a[0]+(P3[0]*a[0]*a[0]))*(a[0]^1.75)*K[0]\nsqrt_Ki ,ppb ,sqrt(RH[0]<=61 ? K[0] : K_prime[0])\nmax_NO3_loss ,ug m-3 ,745.7/TEMP2[4]*sqrt_Ki[0]\nPM25_NO3_loss ,ug m-3 ,max_NO3_loss[0]<=PM25_NO3[0] ? max_NO3_loss[0] : PM25_NO3[0]\nANO3IJ_loss ,ug m-3 ,max_NO3_loss[0]<=ANO3IJ[0] ? max_NO3_loss[0] : ANO3IJ[0]\nPM25_NH4_loss ,ug m-3 ,PM25_NO3_loss[0]*(18/62)\nANH4IJ_loss ,ug m-3 ,ANO3IJ_loss[0]*(18/62)\nPMIJ_FRM ,ug m-3 ,ATOTIJ[0]-(ANO3IJ_loss[0]+ANH4IJ_loss[0]) \\\n +0.24*(ASO4IJ[0]+ANH4IJ[0]-ANH4IJ_loss[0])+0.5\nPM25_FRM ,ug m-3 ,PM25_TOT[0]-(PM25_NO3_loss[0]+PM25_NH4_loss[0]) \\\n +0.24*(PM25_SO4[0]+PM25_NH4[0]-PM25_NH4_loss[0])+0.5\n" }, { "path": "CCTM/src/MECHS/cb6r5hap_ae7_aq/SpecDef_Dep_cb6r5hap_ae7_aq.txt", "content": "!#start YYYYJJJ\n!#end YYYYJJJ\n#layer 1\n\n/ File [1]: DRYDEP\n/ File [2]: WETDEP\n/ File [3]: METCRO2D\n/\n/new species ,units ,expression\n\nRT ,cm ,RC[3]>=0 ? RN[3]+RC[3] : RN[3]\n\n!---------------------------------------------------!\n!--------------- Gas Deposition --------------------!\n!---------------------------------------------------!\nDDEP_NO2 ,kg ha-1 ,NO2[1]\nWDEP_NO2 ,kg ha-1 ,NO2[2]\nDDEP_NO ,kg ha-1 ,NO[1]\nWDEP_NO ,kg ha-1 ,NO[2]\nDDEP_FORM\t ,kg ha-1 ,FORM[1]\nWDEP_FORM\t ,kg ha-1 ,FORM[2]\nDDEP_H2O2\t ,kg ha-1 ,H2O2[1]\nWDEP_H2O2 ,kg ha-1 ,H2O2[2]\nDDEP_N2O5 ,kg ha-1 ,N2O5[1]\nWDEP_N2O5 ,kg ha-1 ,N2O5[2]\nDDEP_HONO ,kg ha-1 ,HONO[1]\nWDEP_HONO ,kg ha-1 ,HONO[2]\nDDEP_HNO3 ,kg ha-1 ,HNO3[1]\nWDEP_HNO3 ,kg ha-1 ,HNO3[2]\nDDEP_NO3 ,kg ha-1 ,NO3[1]\nWDEP_NO3 ,kg ha-1 ,NO3[2]\nDDEP_CLNO2 ,kg ha-1 ,CLNO2[1]\nWDEP_CLNO2 ,kg ha-1 ,CLNO2[2]\nDDEP_CLNO3 ,kg ha-1 ,CLNO3[1]\nWDEP_CLNO3 ,kg ha-1 ,CLNO3[2]\nDDEP_NTR ,kg ha-1 ,NTR1[1]+NTR2[1]+INTR[1]\nWDEP_NTR ,kg ha-1 ,NTR1[2]+NTR2[2]+INTR[2]\nDDEP_PANT ,kg ha-1 ,PAN[1] + PANX[1] + OPAN[1]\nWDEP_PANT ,kg ha-1 ,PAN[2] + PANX[2] + OPAN[2]\nDDEP_NH3 ,kg ha-1 ,NH3[1]\nWDEP_NH3 ,kg ha-1 ,NH3[2]\nDDEP_SO2 ,kg ha-1 ,SO2[1]\nDDEP_O3 ,kg ha-1 ,O3[1]\nWDEP_O3 ,kg ha-1 ,O3[2]\nDDEP_PNA ,kg ha-1 ,PNA[1] \nWDEP_PNA ,kg ha-1 ,PNA[2] \nDDEP_BENZENE ,kg ha-1 ,BENZENE[1] \nWDEP_BENZENE ,kg ha-1 ,BENZENE[2] \nDDEP_TOLUENE ,kg ha-1 ,TOLU[1] \nWDEP_TOLUENE ,kg ha-1 ,TOLU[2] \nDDEP_ETHYLBENZENE ,kg ha-1 ,ETHYLBENZENE[1] \nWDEP_ETHYLBENZENE ,kg ha-1 ,ETHYLBENZENE[2] \nDDEP_DICLORBENZENE ,kg ha-1 ,DICL_BENZENE[1] \nWDEP_DICLORBENZENE ,kg ha-1 ,DICL_BENZENE[2] \nDDEP_STYRENE ,kg ha-1 ,STYRENE[1] \nWDEP_STYRENE ,kg ha-1 ,STYRENE[2] \nDDEP_XYLENE ,kg ha-1 ,XYLENE[1] \nWDEP_XYLENE ,kg ha-1 ,XYLENE[2] \n\n\n!---------------------------------------------------!\n!------------- Aerosol Deposition ------------------!\n!---------------------------------------------------!\nDDEP_ANO3IJ ,kg ha-1 ,ANO3I[1] + ANO3J[1]\nDDEP_ANO3K ,kg ha-1 ,ANO3K[1]\nWDEP_ANO3IJK ,kg ha-1 ,ANO3I[2] + ANO3J[2] + ANO3K[2]\nDDEP_TNO3 ,kg ha-1 ,ANO3I[1] + ANO3J[1] + ANO3K[1] + 0.984*HNO3[1] + NO3[1]\nWDEP_TNO3 ,kg ha-1 ,ANO3I[2] + ANO3J[2] + ANO3K[2] + 0.984*HNO3[2] + NO3[2]\nDDEP_ANH4IJ ,kg ha-1 ,ANH4I[1] + ANH4J[1]\nDDEP_ANH4K ,kg ha-1 ,ANH4K[1]\nWDEP_ANH4IJK ,kg ha-1 ,ANH4I[2] + ANH4J[2] + ANH4K[2]\nDDEP_AMTNO3J ,kg ha-1 ,AMTNO3J[1]\nWDEP_AMTNO3J ,kg ha-1 ,AMTNO3J[2]\nDDEP_ASO4IJ ,kg ha-1 ,ASO4I[1] + ASO4J[1]\nDDEP_ASO4K ,kg ha-1 ,ASO4K[1]\nWDEP_ASO4IJK ,kg ha-1 ,ASO4I[2] + ASO4J[2] + ASO4K[2]\nDDEP_AECIJ\t ,kg ha-1 ,AECI[1] +AECJ[1]\nDDEP_AOCIJ ,kgC ha-1 ,ALVPO1I[1]/1.39 + ASVPO1I[1]/1.32 + ASVPO2I[1]/1.26 \\\n +ALVPO1J[1]/1.39 + ASVPO1J[1]/1.32 + ASVPO2J[1]/1.26 \\\n +ASVPO3J[1]/1.21 + AIVPO1J[1]/1.17 \\\n +ALVOO1I[1]/2.27 + ALVOO2I[1]/2.06 \\\n +ASVOO1I[1]/1.88 + ASVOO2I[1]/1.73 \\\n +AISO1J[1]/2.20 + AISO2J[1]/2.23 + AISO3J[1]/2.80 \\\n +AMT1J[1]/1.67 + AMT2J[1]/1.67 + AMT3J[1]/1.72 \\\n +AMT4J[1]/1.53 + AMT5J[1]/1.57 + AMT6J[1]/1.40 \\\n +AMTNO3J[1]/1.90 + AMTHYDJ[1]/1.54 \\\n +AGLYJ[1]/2.13 + ASQTJ[1]/1.52 \\\n +AORGCJ[1]/2.00 + AOLGBJ[1]/2.10 + AOLGAJ[1]/2.50 \\\n +ALVOO1J[1]/2.27+ ALVOO2J[1]/2.06+ ASVOO1J[1]/1.88 \\\n +ASVOO2J[1]/1.73+ ASVOO3J[1]/1.60 \\\n +APCSOJ[1] /2.00+ AAVB1J[1]/2.70 + AAVB2J[1]/2.35 \\\n +AAVB3J[1]/2.17 + AAVB4J[1]/1.99 \n\n!DDEP_SSSO4J ,kg ha-1 ,0.2514*ANAJ[1]\n!DDEP_SSSO4K ,kg ha-1 ,0.2514*DDEP_ANAK[0]\n!WDEP_SSSO4JK ,kg ha-1 ,0.2514*ANAJ[2] + 0.2514*WDEP_ANAK[0]\n\n\n!-----------------------------------------------------!\n!-------- Total (Gas + Aerosol) Deposition -----------!\n!-----------------------------------------------------!\nDDEP_NHX ,kg ha-1 ,ANH4I[1] + ANH4J[1] + ANH4K[1] + 1.059*NH3[1]\nWDEP_NHX ,kg ha-1 ,ANH4I[2] + ANH4J[2] + ANH4K[2] + 1.059*NH3[2]\nWDEP_TSO4 ,kg ha-1 ,ASO4I[2] + ASO4J[2] + ASO4K[2] + 1.5*SO2[2]\n\n!! Sodium\nDDEP_ANAJ ,kg ha-1 ,ANAJ[1]\nDDEP_ANAK ,kg ha-1 ,0.8373*ASEACAT[1]+0.0626*ASOIL[1]+0.0023*ACORS[1]\nDDEP_ANAJK ,kg ha-1 ,DDEP_ANAJ[0] + DDEP_ANAK[0]\nWDEP_ANAK ,kg ha-1 ,0.8373*ASEACAT[2]+0.0626*ASOIL[2]+0.0023*ACORS[2]\nWDEP_ANAJK ,kg ha-1 ,ANAJ[2] + WDEP_ANAK[0]\nTDEP_ANAJK ,kg ha-1 ,DDEP_ANAJK[0] + WDEP_ANAJK[0]\n\n!! Chloride\nDDEP_ACLJ ,kg ha-1 ,ACLJ[1]\nDDEP_ACLK ,kg ha-1 ,ACLK[1]\nDDEP_ACLJK ,kg ha-1 ,ACLJ[1] + ACLK[1]\nWDEP_TCL ,kg ha-1 ,0.972*HCL[2]+CL2[2] + ACLJ[2] + ACLK[2] + 0.6758*HOCL[1]\nTDEP_CL ,kg ha-1 ,DDEP_ACLJK[0] + WDEP_TCL[0]\n\n!! Calcium\nDDEP_CAJ\t ,kg ha-1 ,ACAJ[1]\nWDEP_CAJ\t ,kg ha-1 ,ACAJ[2]\nDDEP_CAK ,kg ha-1 ,0.0320*ASEACAT[1]+0.0838*ASOIL[1]+0.0562*ACORS[1]\nWDEP_CAK ,kg ha-1 ,0.0320*ASEACAT[2]+0.0838*ASOIL[2]+0.0562*ACORS[2]\nDDEP_CAJK\t ,kg ha-1 ,ACAJ[1]+DDEP_CAK[0]\nWDEP_CAJK\t ,kg ha-1 ,ACAJ[2]+WDEP_CAK[0]\n\n!! Iron\nDDEP_FEJ\t ,kg ha-1 ,AFEJ[1]\nWDEP_FEJ\t ,kg ha-1 ,AFEJ[2]\n\n!! Aluminum\nDDEP_ALJ\t ,kg ha-1 ,AALJ[1]\nWDEP_ALJ ,kg ha-1 ,AALJ[2]\n\n!! Silicon\nDDEP_SIJ ,kg ha-1 ,ASIJ[1]\nWDEP_SIJ ,kg ha-1 ,ASIJ[2]\n\n!! Titanium\nDDEP_TIJ ,kg ha-1 ,ATIJ[1]\nWDEP_TIJ ,kg ha-1 ,ATIJ[2]\n\n!! Magnesium\nDDEP_MGJ ,kg ha-1 ,AMGJ[1]\nWDEP_MGJ ,kg ha-1 ,AMGJ[2]\nDDEP_MGK ,kg ha-1 ,0.0997*ASEACAT[1]+0.0170*ASOIL[1]+0.0032*ACORS[1]\nWDEP_MGK ,kg ha-1 ,0.0997*ASEACAT[2]+0.0170*ASOIL[2]+0.0032*ACORS[2]\nDDEP_MGJK ,kg ha-1 ,AMGJ[1]+DDEP_MGK[0]\nWDEP_MGJK ,kg ha-1 ,AMGJ[2]+WDEP_MGK[0]\n\n!! Potassium\nDDEP_KJ ,kg ha-1 ,AKJ[1]\nWDEP_KJ ,kg ha-1 ,AKJ[2]\nDDEP_KK ,kg ha-1 ,0.0310*ASEACAT[1]+0.0242*ASOIL[1]+0.0176*ACORS[1]\nWDEP_KK ,kg ha-1 ,0.0310*ASEACAT[2]+0.0242*ASOIL[2]+0.0176*ACORS[2]\nDDEP_KJK ,kg ha-1 ,AKJ[1]+DDEP_KK[0]\nWDEP_KJK ,kg ha-1 ,AKJ[2]+WDEP_KK[0]\n\n!! Manganese\nDDEP_MNJ ,kg ha-1 ,AMNJ[1]\nWDEP_MNJ ,kg ha-1 ,AMNJ[2]\n\n! lead\nDDEP_LEAD ,kg ha-1 ,APBI[1] + APBJ[1] + APBK[1]\nWDEP_LEAD ,kg ha-1 ,APBI[2] + APBJ[2] + APBK[2]\n\n! Manganese for Air Toxics Inventory\nDDEP_MN_HAPS ,kg ha-1 ,AMN_HAPSI[1] + AMN_HAPSJ[1] + AMN_HAPSK[1]\nWDEP_MN_HAPS ,kg ha-1 ,AMN_HAPSI[2] + AMN_HAPSJ[2] + AMN_HAPSK[2]\n\n! Arsenic\nDDEP_ARSENIC ,kg ha-1 ,AASI[1] + AASJ[1] + AASK[1]\nWDEP_ARSENIC ,kg ha-1 ,AASI[2] + AASJ[2] + AASK[2]\n\n! Trivalent Chromium\nDDEP_CRIII ,kg ha-1 ,ACR_IIII[1] + ACR_IIIJ[1] + ACR_IIIK[1]\nWDEP_CRIII ,kg ha-1 ,ACR_IIII[2] + ACR_IIIJ[2] + ACR_IIIK[2]\n\n! Hexavalent Chromium\nDDEP_CRVI ,kg ha-1 ,ACR_VII[1] + ACR_VIJ[1] + ACR_VIK[1]\nWDEP_CRVI ,kg ha-1 ,ACR_VII[2] + ACR_VIJ[2] + ACR_VIK[2]\n\n! BERYLLIUM\nDDEP_BERYLLIUM ,kg ha-1 ,ABEI[1] + ABEJ[1] + ABEK[1]\nWDEP_BERYLLIUM ,kg ha-1 ,ABEI[2] + ABEJ[2] + ABEK[2]\n\n! CADMIUM\nDDEP_CADMIUM ,kg ha-1 ,ACDI[1] + ACDJ[1] + ACDK[1]\nWDEP_CADMIUM ,kg ha-1 ,ACDI[2] + ACDJ[2] + ACDK[2]\n\n! NICKLE\nDDEP_NICKLE ,kg ha-1 ,ANII[1] + ANIJ[1] + ANIK[1]\nWDEP_NICKLE ,kg ha-1 ,ANII[2] + ANIJ[2] + ANIK[2]\n\n! Total Chromium\nDDEP_CHROMIUM ,kg ha-1 ,DDEP_CRIII[0] + DDEP_CRVI[0]\nWDEP_CHROMIUM ,kg ha-1 ,WDEP_CRIII[0] + WDEP_CRVI[0]\n\n! Gas plus Aerosol Mercury Deposition\nDDEP_HG ,kg ha-1 ,APHGI[1] + APHGJ[1] + APHGK[1] + HG[1] + HGIIGAS[1]\nWDEP_HG ,kg ha-1 ,APHGI[2] + APHGJ[2] + APHGK[2] + HG[2] + HGIIGAS[2]\n\n! Gas plus Aerosol Benzo-A-Pyrene Deposition\nDDEP_BENAPY ,kg ha-1 ,ABENAPYI[1] + ABENAPYJ[1]\nWDEP_BENAPY ,kg ha-1 ,ABENAPYI[2] + ABENAPYJ[2] + BENAPY[2]\n\n!---------------------------------------------------!\n!------------- Nitrogen Deposition -----------------!\n!---------------------------------------------------!\nDD_OXN_NOX ,kgN ha-1 ,0.30435*NO2[1] + 0.46667*NO[1]\nWD_OXN_NOX ,kgN ha-1 ,0.30435*NO2[2] + 0.46667*NO[2]\nDD_OXN_TNO3 ,kgN ha-1 ,0.22581*DDEP_TNO3[0]\nWD_OXN_TNO3 ,kgN ha-1 ,0.22581*WDEP_TNO3[0]\nDD_OXN_PANT ,kgN ha-1 ,0.11570*PAN[1] + 0.11570*PANX[1] + 0.11570*OPAN[1]\nWD_OXN_PANT ,kgN ha-1 ,0.11570*PAN[2] + 0.11570*PANX[2] + 0.11570*OPAN[2]\nDD_OXN_ORGN ,kgN ha-1 ,0.10770*(NTR1[1]+NTR2[1]+INTR[1])+0.06061*DDEP_AMTNO3J[0]+DD_OXN_PANT[0]\nWD_OXN_ORGN ,kgN ha-1 ,0.10770*(NTR1[2]+NTR2[2]+INTR[2])+0.06061*WDEP_AMTNO3J[0]+WD_OXN_PANT[0]\nDD_OXN_OTHR ,kgN ha-1 ,0.25926*N2O5[1] + 0.29787*HONO[1]+0.17720*PNA[1]+0.1717*CLNO2[1]+0.1436*CLNO3[1]\nWD_OXN_OTHR ,kgN ha-1 ,0.25926*N2O5[2] + 0.29787*HONO[2]+0.17720*PNA[2]+0.1717*CLNO2[2]+0.1436*CLNO3[2]\nDD_OXN_TOT ,kgN ha-1 ,DD_OXN_NOX[0] + DD_OXN_TNO3[0] + DD_OXN_ORGN[0] + DD_OXN_OTHR[0]\nWD_OXN_TOT ,kgN ha-1 ,WD_OXN_NOX[0] + WD_OXN_TNO3[0] + WD_OXN_ORGN[0] + WD_OXN_OTHR[0]\n\nTD_OXN_TOT ,kgN ha-1 ,DD_OXN_TOT[0] + WD_OXN_TOT[0]\nDD_REDN_TOT ,kgN ha-1 ,0.7777*DDEP_NHX[0]\nWD_REDN_TOT ,kgN ha-1 ,0.7777*WDEP_NHX[0]\nTD_REDN_TOT ,kgN ha-1 ,DD_REDN_TOT[0] + WD_REDN_TOT[0]\n\nDD_N_TOT ,kgN ha-1 ,DD_OXN_TOT[0] + DD_REDN_TOT[0]\nWD_N_TOT ,kgN ha-1 ,WD_OXN_TOT[0] + WD_REDN_TOT[0]\nTD_N_TOT ,kgN ha-1 ,DD_N_TOT[0] + WD_N_TOT[0]\n\n!! Nitrogen Deposition in milliequivalents Nitrogen\n!DD_OXN_TOTMEQ ,meqN m-2 ,7.14*DD_OXN_TOT[0]\n!WD_OXN_TOTMEQ ,meqN m-2 ,7.14*WD_OXN_TOT[0]\n!TD_OXN_TOTMEQ ,meqN m-2 ,DD_OXN_TOTMEQ[0] + WD_OXN_TOTMEQ[0]\n!DD_REDN_TOTMEQ ,meqN m-2 ,7.14*DD_REDN_TOT[0]\n!WD_REDN_TOTMEQ ,meqN m-2 ,7.14*WD_REDN_TOT[0]\n!TD_REDN_TOTMEQ ,meqN m-2 ,DD_REDN_TOTMEQ[0] + WD_REDN_TOTMEQ[0]\n!DD_N_TOTMEQ ,meqN m-2 ,DD_OXN_TOTMEQ[0] + DD_REDN_TOTMEQ[0]\n!WD_N_TOTMEQ ,meqN m-2 ,WD_OXN_TOTMEQ[0] + WD_REDN_TOTMEQ[0]\n!TD_N_TOTMEQ ,meqN m-2 ,DD_N_TOTMEQ[0] + WD_N_TOTMEQ[0]\n\n!-------------------------------------------------!\n!------------- Sulfur Deposition -----------------!\n!-------------------------------------------------!\nDD_S_TOT ,kgS ha-1 ,0.5*SO2[1] + 0.33333*ASO4I[1] + 0.33333*ASO4J[1] + 0.33333*ASO4K[1]\nWD_S_TOT ,kgS ha-1 ,0.33333*WDEP_TSO4[0]\nTD_S_TOT ,kgS ha-1 ,DD_S_TOT[0] + WD_S_TOT[0]\n!DD_S_SeaS ,kgS ha-1 ,0.33333*DDEP_SSSO4J[0] + 0.33333*DDEP_SSSO4K[0]\n!WD_S_SeaS ,kgS ha-1 ,0.33333*WDEP_SSSO4JK[0]\n!TD_S_SeaS ,kgS ha-1 ,DD_S_SeaS[0] + WD_S_SeaS[0]\n\n!! Sulfur Deposition in milliequivalents Sulfur\n!DD_S_TOTMEQ ,meqS m-2 ,6.24*DD_S_TOT[0]\n!WD_S_TOTMEQ ,meqS m-2 ,6.24*WD_S_TOT[0]\n!TD_S_TOTMEQ ,meqS m-2 ,DD_S_TOTMEQ[0] + WD_S_TOTMEQ[0]\n!DD_S_SeaSMEQ ,meqS m-2 ,6.24*DD_S_SeaS[0]\n!WD_S_SeaSMEQ ,meqS m-2 ,6.24*WD_S_SeaS[0]\n!TD_S_SeaSMEQ ,meqS m-2 ,DD_S_SeaSMEQ[0] + WD_S_SeaSMEQ[0]\n" }, { "path": "CCTM/src/MECHS/cb6r5hap_ae7_aq/SpecDef_cb6r5hap_ae7_aq.txt", "content": "!#start YYYYJJJ 010000\n!#end YYYYJJJ 000000\n#layer 1\n\n/\n! This Species Definition File is for Use with the COMBINE tool built for \n! post-processing CMAQ output. It is compatible with CMAQv5.2.\n! Date: May 12 2017\n\n! Output variables that begin with 'PM' represent those in which a size cut was \n! applied based on modeled aerosol mode parameters. For example, PM25_NA is all \n! sodium that falls below 2.5 um diameter. These 'PM' variables are used for \n! comparisons at IMPROVE and CSN sites.\n\n! Output variables that begin with 'PMAMS' represent the mass that would have\n! been detected by an Aerosol Mass Spectrometer.\n\n! Output variables beginning with 'A' (aside from AIR_DENS) represent a \n! combination of aerosol species in which no size cut was applied. For example, \n! ASO4IJ is the sum of i-mode and j-mode sulfate. These 'A' variables are used \n! for comparisons at CASTNet sites.\n\n! Output variables beginning with 'PMC' refer to the coarse fraction of total PM,\n! computed by summing all modes and subtracting the PM2.5 fraction. These 'PMC'\n! variables are used for comparisons at SEARCH sites.\n\n! This Species Definition File is just for use with the uncoupled, offline CMAQ,\n! model. If you are processing WRF-CMAQ results, a different Species Definition\n! file is required.\n\n/ File [1]: CMAQ conc/aconc file\n/ File [2]: METCRO3D file\n/ File [3]: ELMO/AELMO file\n/ File [4]: METCRO2D file\n/\n/new species ,units ,expression\n \n!-------------------------------------------!\n!------------- Meteorology -----------------!\n!-------------------------------------------!\nAIR_DENS ,kg m-3 ,DENS[2]\nRH ,% ,100.00*RH[3]\nSFC_TMP ,C ,(TEMP2[4]-273.15)\nPBLH ,m ,PBL[4]\nSOL_RAD ,W m-2 ,RGRND[4]\nprecip ,cm ,RC[4]>=0 ? RN[4]+RC[4] : RN[4]\nWSPD10 ,m s-1 ,WSPD10[4]\nWDIR10 ,deg ,WDIR10[4]\n\n!-------------------------------------------!\n!--------------- Gases ---------------------!\n!-------------------------------------------!\nALD2 ,ppbV ,1000.0*ALD2[1]\nBENZENE ,ppbV ,1000.0*BENZENE[1]\nCO ,ppbV ,1000.0*CO[1]\nETH ,ppbV ,1000.0*ETH[1]\nETHA ,ppbV ,1000.0*ETHA[1]\nFORM ,ppbV ,1000.0*FORM[1]\nH2O2 ,ppbV ,1000.0*H2O2[1]\nHNO3 ,ppbV ,1000.0*HNO3[1]\nHNO3_UGM3 ,ug m-3 ,1000.0*(HNO3[1]*2.1756*DENS[2])\nHONO ,ppbV ,1000.0*HONO[1]\nHOX ,ppbV ,1000.0*(OH[1]+HO2[1])\nOH\t ,ppbV ,1000.0*(OH[1])\nISOP ,ppbV ,1000.0*ISOP[1]\nN2O5 ,ppbV ,1000.0*N2O5[1]\nNH3 ,ppbV ,1000.0*NH3[1]\nNH3_UGM3 ,ug m-3 ,1000.0*(NH3[1]*0.5880*DENS[2])\nNHX ,ug m-3 ,1000.0*(NH3[1]*0.5880*DENS[2])+ANH4I[1]+ANH4J[1]+ANH4K[1]\nNO ,ppbV ,1000.0*NO[1]\nNO2 ,ppbV ,1000.0*NO2[1]\nNOX ,ppbV ,1000.0*(NO[1] + NO2[1])\nANO3_PPB\t,ppbV ,(ANO3I[1]+ANO3J[1]+ANO3K[1])/(DENS[2]*(62.0/28.97))\nNTR ,ppbV ,1000.0*(NTR1[1]+NTR2[1]+INTR[1])\nPANS ,ppbV ,1000.0*(PAN[1]+PANX[1]+OPAN[1])\nNOY ,ppbV ,1000.0* (NO[1]+NO2[1]+NO3[1]+2*N2O5[1]+HONO[1]+HNO3[1]+PNA[1] \\\n +CRON[1]+CLNO2[1]+CLNO3[1]) \\\n +PANS[0]+NTR[0]+ANO3_PPB[0]\nO3 ,ppbV ,1000.0*O3[1]\nSO2 ,ppbV ,1000.0*SO2[1]\nSO2_UGM3 ,ug m-3 ,1000.0*(SO2[1]*2.2118*DENS[2])\nTERP ,ppbV ,1000.0*TERP[1]\nTOL ,ppbV ,1000.0*TOL[1]\nXYL ,ppbV ,1000.0*XYLMN[1]\n\n!! Additional Global, Regional and Urban Toxic gases\nACROLEIN ,ug/m3 ,1000.0*(ACROLEIN[1]*1.9365*DENS[2]) \nACRY_NITRILE ,ug/m3 ,1000.0*(ACRY_NITRILE[1]*1.8329*DENS[2]) \nALD2_UGM3 ,ug/m3 ,1000.0*(ALD2[1]*1.5188*DENS[2]) \nALD2_PRIMARY ,ug/m3 ,1000.0*(ALD2_PRIMARY[1]*1.5188*DENS[2]) \nBENZENE_UGM3 ,ug/m3 ,1000.0*(BENZENE[1]*2.6959*DENS[2]) \nBR2_C2_12 ,ug/m3 ,1000.0*(BR2_C2_12[1]*6.4860*DENS[2]) \nBUTADIENE13 ,ug/m3 ,1000.0*(BUTADIENE13[1]*1.8674*DENS[2]) \nCHCL3 ,ug/m3 ,1000.0*(CHCL3[1]*4.1215*DENS[2]) \nCL_ETHE ,ug/m3 ,1000.0*(CL_ETHE[1]*2.1574*DENS[2]) \nCL2 ,ppbV ,1000.0*CL2[1] \nCL2_C2_12 ,ug/m3 ,1000.0*(CL2_C2_12[1]*3.4173*DENS[2]) \nCL2_ME ,ug/m3 ,1000.0*(CL2_ME[1]*2.9306*DENS[2]) \nCL3_ETHE ,ug/m3 ,1000.0*(CL3_ETHE[1]*4.5357*DENS[2]) \nCL4_ETHE ,ug/m3 ,1000.0*(CL4_ETHE[1]*5.7232*DENS[2]) \nCL4_ETHANE ,ug/m3 ,1000.0*(CL4_ETHANE[1]*5.7956*DENS[2]) \nCARBONTET ,ug/m3 ,1000.0*(CARBONTET[1]*5.3089*DENS[2]) \nDICL_BENZENE ,ug/m3 ,1000.0*(DICL_BENZENE[1]*5.069*DENS[2]) \nDICL_PROPENE ,ug/m3 ,1000.0*(DICL_PROPENE[1]*3.8316*DENS[2]) \nETOH ,ppbV ,1000.0*ETOH[1] \nETOX ,ug/m3 ,1000.0*(ETOX[1]*1.5223*DENS[2]) \nFORM_UGM3 ,ug/m3 ,1000.0*(FORM[1]*1.0356*DENS[2]) \nFORM_PRIMARY ,ug/m3 ,1000.0*(FORM_PRIMARY[1]*1.0356*DENS[2]) \nHCL ,ppbV ,1000.0*HCL[1] \nHEXMETH_DIS ,ug/m3 ,1000.0*(HEXMETH_DIS[1]*5.8000*DENS[2]) \nHYDRAZINE ,ug/m3 ,1000.0*(HYDRAZINE[1]*3.3793*DENS[2]) \nMEOH ,ppbV ,1000.0*MEOH[1] \nXYLENE ,ppbV ,1000.0*XYLENE[1] \nMAL_ANHYDRID ,ug/m3 ,1000.0*(MAL_ANHYDRID[1]*3.3843*DENS[2]) \nNAPHTHALENE ,ug/m3 ,1000.0*(NAPHTHALENE[1]*4.4253*DENS[2]) \nPROPY_DICL ,ug/m3 ,1000.0*(PROPYL_DICL[1]*3.9006*DENS[2]) \nQUINOLINE ,ug/m3 ,1000.0*(QUINOLINE[1]*4.4598*DENS[2]) \nTOLU ,ppbV ,1000.0*TOLU[1] \nTOL_DIIS ,ug/m3 ,1000.0*(TOL_DIIS[1]*6.0069*DENS[2]) \nTRIETHYLAMIN ,ug/m3 ,1000.0*(TRIETHYLAMIN[1]*3.4986*DENS[2]) \nACET_NITRILE ,ug/m3 ,1000.0*(ACET_NITRILE[1]*1.4155*DENS[2]) \nSTYRENE ,ug/m3 ,1000.0*(STYRENE[1]*3.5914*DENS[2]) \nACRYACID ,ug/m3 ,1000.0*(ACRYACID[1]*2.4849*DENS[2]) \nHEXANE ,ug/m3 ,1000.0*(HEXANE[1]*2.9717*DENS[2]) \nMETHCHLORIDE ,ug/m3 ,1000.0*(METHCHLORIDE[1]*1.7410*DENS[2]) \nCARBSULFIDE ,ug/m3 ,1000.0*(CARBSULFIDE[1]*2.0714*DENS[2]) \nCHLOROPRENE ,ug/m3 ,1000.0*(CHLOROPRENE[1]*3.0530*DENS[2]) \nETHYLBENZENE ,ug/m3 ,1000.0*(ETHYLBENZENE[1]*3.6610*DENS[2]) \n\n!! Inert PAH tracers\nPAH_000E0 ,ug/m3 ,1000.0*(PAH_000E0[1]*6.4340*DENS[2])\nPAH_176E5 ,ug/m3 ,1000.0*(PAH_176E5[1]*6.8314*DENS[2])\nPAH_880E5 ,ug/m3 ,1000.0*(PAH_880E5[1]*6.8383*DENS[2])\nPAH_176E4 ,ug/m3 ,1000.0*(PAH_176E4[1]*8.7907*DENS[2])\nPAH_176E3 ,ug/m3 ,1000.0*(PAH_176E3[1]*9.6166*DENS[2])\nPAH_192E3 ,ug/m3 ,1000.0*(PAH_192E3[1]*9.2745*DENS[2])\nPAH_101E2 ,ug/m3 ,1000.0*(PAH_101E2[1]*10.4493*DENS[2])\nPAH_176E2 ,ug/m3 ,1000.0*(PAH_176E2[1]*8.8556*DENS[2])\nPAH_114E1 ,ug/m3 ,1000.0*(PAH_114E1[1]*3.3793*DENS[2])\n\n!Mercuric gas species\nHG_0 ,ng/m3 ,1000.0*(HG[1]*8.3330*DENS[2]*1000.0) \nHG_II ,ng/m3 ,1000.0*(HGIIGAS[1]*8.3330*DENS[2]*1000.0) \n\n!! Unused Gases. Presented Here for illustration. Users can uncomment\n!! them if they choose.\n!ALDX ,ppbV ,1000.0*ALDX[1]\n!CLNO2 ,ppbV ,1000.0*CLNO2[1] \n!IOLE ,ppbV ,1000.0*IOLE[1]\n!OLE ,ppbV ,1000.0*OLE[1]\n!PAR ,ppbV ,1000.0*PAR[1]\n!PAN ,ppbV ,1000.0*PAN[1]\n!PANX ,ppbV ,1000.0*PANX[1]\n!SULF ,ppbV ,1000.0*SULF[1]\n!VOC ,ppbC ,1000.0* ( PAR[1] + 2.0*ETH[1] + MEOH[1] + 2.0*ETOH[1] \\\n! +2.0*OLE[1] + 7.0*TOL[1] + 8.0*XYLMN[1]+ FORM[1] \\\n! +2.0*ALD2[1] + 2.0*ETHA[1] + 4.0*IOLE[1] + 2.0*ALDX[1] \\\n! +5.0*ISOP[1] + 10.0*TERP[1]+ 10.0*NAPH[1])\n\n\n!-------------------------------------------!\n!--------------- Particles -----------------!\n!-------------------------------------------!\n!! Crustal Elements\nAFEJ ,ug m-3 ,PMF_FE[3]\nAALJ ,ug m-3 ,PMF_AL[3]\nASIJ ,ug m-3 ,PMF_SI[3]\nATIJ ,ug m-3 ,PMF_TI[3]\nACAJ ,ug m-3 ,PMF_CA[3]\nAMGJ ,ug m-3 ,PMF_MG[3]\nAKJ ,ug m-3 ,PMF_K[3]\nAMNJ ,ug m-3 ,PMF_MN[3]\nASOILJ ,ug m-3 ,PMF_SOILIMPV[3]\n\n!! Non-Crustal Inorganic Particle Species\nAHPLUSIJ ,umol m-3 ,PMF_HP[3]\nANAK ,ug m-3 ,PMC_NA[3]\nAMGK ,ug m-3 ,PMC_MG[3]\nAKK ,ug m-3 ,PMC_K[3]\nACAK ,ug m-3 ,PMC_CA[3]\nACLIJ ,ug m-3 ,PMF_CL[3]\nAECIJ ,ug m-3 ,PMF_EC[3]\nANAIJ ,ug m-3 ,PMF_NA[3]\nANO3IJ ,ug m-3 ,PMF_NO3[3]\nANO3K ,ug m-3 ,PMC_NO3[3]\nTNO3 ,ug m-3 ,TNO3[3]\nANH4IJ ,ug m-3 ,PMF_NH4[3]\nANH4K ,ug m-3 ,PMC_NH4[3]\nASO4IJ ,ug m-3 ,PMF_SO4[3]\nASO4K ,ug m-3 ,PMC_SO4[3]\n\n!! Organic Particle Species\nAPOCIJ ,ugC m-3 ,PMF_POC[3]\nAPOMIJ ,ug m-3 ,PMF_POA[3]\nASOCIJ ,ugC m-3 ,PMF_SOC[3]\nASOMIJ ,ug m-3 ,PMF_SOA[3]\nAOCIJ ,ugC m-3 ,PMF_OC[3]\nAOMIJ ,ug m-3 ,PMF_OA[3]\n\n!!! Anthropogenic-VOC Derived Organic Aerosol\nAORGAIJ ,ug m-3 ,PMF_ASOA[3]\n\n!!! Biogenic-VOC Derived Organic Aerosol\nAORGBIJ ,ug m-3 ,PMF_BSOA[3]\n\n!!! Cloud-Processed SOA\nAORGCJ ,ug m-3 ,AORGCJ[1]\n\n!!! OM/OC ratios\nAOMOCRAT_TOT , ,PMF_OMOC[3]\n\n!! Total PM Aggregates\nATOTI ,ug m-3 ,PMAIT_MASS[3]\nATOTJ ,ug m-3 ,PMACC_MASS[3]\nATOTK ,ug m-3 ,PMC_MASS[3]\nATOTIJ ,ug m-3 ,PMF_MASS[3]\nATOTIJK ,ug m-3 ,PM_MASS[3]\n\n!! Unspeciated PM including non-carbon organic mass\nAUNSPEC1IJ ,ug m-3 ,PMF_UN_IMPV1[3]\n!! Non-Carbon Organic Mass\nANCOMIJ ,ug m-3 ,PMF_NCOM[3]\n\n!! Unspeciated PM excluding non-carbon organic mass\nAUNSPEC2IJ ,ug m-3 ,PMF_UN_IMPV2[3]\n\n!! AMS Projection of Output Concentrations\nPMAMS_CL ,ug m-3 ,PMAMS_CL[3]\nPMAMS_NH4 ,ug m-3 ,PMAMS_NH4[3]\nPMAMS_NO3 ,ug m-3 ,PMAMS_NO3[3]\nPMAMS_OA ,ug m-3 ,PMAMS_OA[3]\nPMAMS_SO4 ,ug m-3 ,PMAMS_SO4[3]\n\n!! PM1 Cutoff Output\nPM1_TOT ,ug m-3 ,PM1[3]\n\n!! Unused PM1 Species. Included Here for demonstration\n!PM1_EC ,ug m-3 ,PM1_EC[3]\n!PM1_OC ,ugC m-3 ,PM1_OC[3]\n!PM1_OM ,ug m-3 ,PM1_OA[3]\n!PM1_SO4 ,ug m-3 ,PM1_SO4[3]\n!PM1_CL ,ug m-3 ,PM1_CL[3]\n!PM1_NA ,ug m-3 ,PM1_NA[3]\n!PM1_MG ,ug m-3 ,PM1_MG[3]\n!PM1_K ,ug m-3 ,PM1_K[3]\n!PM1_CA ,ug m-3 ,PM1_CA[3]\n!PM1_NH4 ,ug m-3 ,PM1_NH4[3]\n!PM1_NO3 ,ug m-3 ,PM1_NO3[3]\n!PM1_SOIL ,ug m-3 ,PM1_SOIL[3]\n!PM1_UNSPEC1 ,ug m-3 ,PM1_UNSP1[3]\n!PM1_UNSPCRS ,ug m-3 ,PM1_UNSPCRS[3]\n\n!! PM2.5 species computed using modeled size distribution\nPM25_HP ,ug m-3 ,PM25_HP[3]\nPM25_CL ,ug m-3 ,PM25_CL[3] \nPM25_EC ,ug m-3 ,PM25_EC[3] \nPM25_NA ,ug m-3 ,PM25_NA[3] \nPM25_MG ,ug m-3 ,PM25_MG[3] \nPM25_K ,ug m-3 ,PM25_K[3] \nPM25_CA ,ug m-3 ,PM25_CA[3] \nPM25_NH4 ,ug m-3 ,PM25_NH4[3] \nPM25_NO3 ,ug m-3 ,PM25_NO3[3] \nPM25_OC ,ugC m-3 ,PM25_OC[3] \nPM25_OM ,ug m-3 ,PM25_OA[3] \nPM25_SOIL ,ug m-3 ,PM25_SOIL[3] \nPM25_SO4 ,ug m-3 ,PM25_SO4[3] \nPM25_TOT ,ug m-3 ,PM25[3] \nPM25_UNSPEC1 ,ug m-3 ,PM25_UNSP1[3] \nPM25_UNSPCRS ,ug m-3 ,PM25_UNSPCRS[3] \n \n\n!! PM10.0 and Coarse-Sized Species\nPM10 ,ug m-3 ,PM10[3]\n\nPMC_CL ,ug m-3 ,PM25TO10_CL[3]\nPMC_NA ,ug m-3 ,PM25TO10_NA[3]\nPMC_NH4 ,ug m-3 ,PM25TO10_NH4[3] \nPMC_NO3 ,ug m-3 ,PM25TO10_NO3[3] \nPMC_SO4 ,ug m-3 ,PM25TO10_SO4[3] \nPMC_TOT ,ug m-3 ,PM25TO10[3] \n\n!! Deisel PM Species\nDIESEL_PM10 ,ug m-3 ,PM10_HDIESEL[3]\nDIESEL_PM25 \t ,ug m-3 ,PM25_HDIESEL[3]\n \n!!Benzo-A-Pyrene, gas and aerosol species\nBAP_GAS ,ng/m3 ,1000.0*GAS_BENAPY[3], gas phase benzo-a-pyrene\nBAP_AERO ,ng/m3 ,1000.0*PMF_BENAPY[3], fine aerosol phase benzo-a-pyrene\nBAP_FAERO , ,BENAPY_FAERO[3], aerosol fraction benzo-a-pyrene\nBAP_PM10 ,ng/m3 ,1000.0*PM10_BENAPY[3] \nBAP_PM25 ,ng/m3 ,1000.0*PM25_BENAPY[3] \n \n!Toxic Metallic PM species\nBERYLLIUM_PM10 ,ng m-3 ,1000.0*PM10_HBE[3]\nBERYLLIUM_PM25 ,ng m-3 ,1000.0*PM25_HBE[3]\nCADMIUM_PM10 ,ng m-3 ,1000.0*PM10_HCD[3]\nCADMIUM_PM25 ,ng m-3 ,1000.0*PM25_HCD[3]\nCR_III_PM10 ,ng m-3 ,1000.0*PM10_HCR3[3]\nCR_III_PM25 ,ng m-3 ,1000.0*PM25_HCR3[3]\nCR_VI_PM10 ,ng m-3 ,1000.0*PM10_HCR6[3]\nCR_VI_PM25 ,ng m-3 ,1000.0*PM25_HCR6[3]\nCHROMIUM_PM10 ,ng m-3 ,1000.0*PM10_HCR[3]\nCHROMIUM_PM25 ,ng m-3 ,1000.0*PM25_HCR[3]\nLEAD_PM10 ,ng m-3 ,1000.0*PM10_HPB[3]\nLEAD_PM25 ,ng m-3 ,1000.0*PM25_HPB[3]\nMANGANESE_PM10 ,ng m-3 ,1000.0*PM10_HMN[3]\nMANGANESE_PM25 ,ng m-3 ,1000.0*PM25_HMN[3]\nNICKEL_PM10 ,ng m-3 ,1000.0*PM10_HNI[3]\nNICKEL_PM25 ,ng m-3 ,1000.0*PM25_HNI[3]\nARSENIC_PM10 ,ng m-3 ,1000.0*PM10_HAS[3]\nARSENIC_PM25 ,ng m-3 ,1000.0*PM25_HAS[3]\n\n!Mercuric PM species\nHG_PM10 ,ng m-3 ,1000.0*PM10_HG[3]\nHG_PM25 ,ng m-3 ,1000.0*PM25_HG[3]\n \n!! FRM PM Equivalent Calculation\nPMIJ_FRM ,ug m-3 ,PMF_FRM[3]\nPM25_FRM ,ug m-3 ,PM25_FRM[3]\n" }, { "path": "CCTM/src/MECHS/cb6r5m_ae7_aq/AE_cb6r5m_ae7_aq.nml", "content": "&AE_nml\n\nAE_SPECIES_DATA = \n\n!SPECIES ,MOLWT ,Aitken ,Accum ,Coarse ,OPTICS ,IC ,ICFAC ,BC ,BC_FAC ,DRYDEP SURR ,FAC ,WET-SCAV SURR ,FAC ,AE2AQ SURR ,TRNS ,DDEP ,WDEP ,CONC\n'ASO4' , 96.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'SO4' , 1 ,'SO4' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ANH4' , 18.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'NH4' , 1 ,'NH4' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ANO3' , 62.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'NO3' , 1 ,'NO3' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ANA' , 23.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'NA' , 1 ,'NA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ACL' , 35.50 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'CL' , 1 ,'CL' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AISO1' ,132.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AISO2' ,133.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASQT' ,273.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AORGC' ,177.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'AORGC' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AEC' , 12.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'EC' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AOTHR' ,200.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'PRI' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AFE' , 55.80 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'FE' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AAL' , 27.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'PRI' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASI' , 28.10 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'PRI' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ATI' , 47.90 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'PRI' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ACA' , 40.10 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'CA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMG' , 24.30 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'MG' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AK' , 39.10 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'K' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMN' , 54.90 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'MN' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ACORS' ,100.00 ,F ,F ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'ANTH' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASOIL' ,100.00 ,F ,F ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'SOIL' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'NUM' , 1.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VNUM' , 1 ,'NUM' , 1 ,'NUM' ,'Yes' ,'' ,'' ,'Yes',\n'SRF' , 1.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VSRF' , 1 ,'SRF' , 1 ,'SRF' ,'Yes' ,'' ,'' ,'Yes',\n'AORGH2O' , 18.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'H2O' , 1 ,'H2O' ,'Yes' ,'' ,'' ,'Yes',\n'AH2O' , 18.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'H2O' , 1 ,'H2O' ,'Yes' ,'' ,'' ,'Yes',\n'AH3OP' , 19.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'' ,-1 ,'' ,'Yes' ,'' ,'' ,'Yes',\n'ASEACAT' , 23.75 ,F ,F ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'SEAS' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AISO3' ,168.20 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AOLGA' ,206.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AOLGB' ,248.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AGLY' , 66.40 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMTNO3' ,231.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMTHYD' ,168.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'APOC' ,220.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes', \n'APNCOM' ,220.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes', \n'APCSO' ,170.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ALVPO1' ,218.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASVPO1' ,230.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASVPO2' ,241.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASVPO3' ,253.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AIVPO1' ,266.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ALVOO1' ,136.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ALVOO2' ,136.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASVOO1' ,135.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASVOO2' ,135.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASVOO3' ,134.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AAVB1' ,198.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AAVB2' ,179.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AAVB3' ,169.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AAVB4' ,158.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMT1' ,300.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMT2' ,200.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMT3' ,186.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMT4' ,184.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMT5' ,170.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMT6' ,168.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes', \n'ABR' , 79.90 ,F ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'TRACER' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n/\n" }, { "path": "CCTM/src/MECHS/cb6r5m_ae7_aq/CMAQ_Control_DESID_cb6r5m_ae7_aq.nml", "content": "!------------------------------------------------------------------------------!\n! Emission Control Interface !\n! for the !\n! Detailed Emissions Scaling, Isolation, and Diagnostics (DESID) Module, !\n! part of the !\n! Community Multiscale Air Quality (CMAQ) Model !\n! developed and maintained by the !\n! Center for Environmental Measurement and Modeling (CEMM), !\n! Office of Research and Development (ORD) !\n! U.S. Environmental Protection Agency (USEPA) !\n! !\n! This namelist is consistent with CMAQv5.4 (Release AUGUST 2022) !\n! !\n! See CMAQ User's Guide Appendix B (https://github.com/USEPA/CMAQ/blob/main/ !\n! DOCS/Users_Guide/Appendix/CMAQ_UG_appendixB_emissions_control.md) !\n! and Murphy et al., Geoscientific Model Development, 14, 3407-3420, !\n! https://doi.org/10.5194/gmd-14-3407-2021, 2021. !\n!------------------------------------------------------------------------------!\n\n!------------------------------------------------------------------------------!\n! Emissions Scaling Rule Specification Component !\n! Each rule is presented as a row of inputs. The syntax of the !\n! emissions scaling rules is the following: !\n! EM_INSTR(I) = 'Region Label', 'Stream Label', 'Emission-Species', !\n! 'CMAQ-Species', 'Phase/Mode', 'Scale Factor', 'Basis', !\n! 'Operation' !\n! !\n! See the User's Guide for detailed definitions of each field. !\n! !\n! You may confirm the effect of the (default and custom) rules below by !\n! inspecting the processor-dependent log files (\"CTM_LOG_XXX...\") !\n! !\n! Note: If no rules are provided for a species, then there is no emission !\n! of that species. !\n!------------------------------------------------------------------------------!\n&Desid_ScalingVars\n Desid_Max_Rules = 2000\n/\n\n&Desid_Scaling\n Desid_Rules_nml =\n\n ! Region | Stream Label |Emission | CMAQ- |Phase/|Scale |Basis |Op \n ! Label | |Species | Species |Mode |Factor| | \n \n ! Gases \n 'EVERYWHERE', 'ALL' ,'NO2' ,'NO2' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'NO' ,'NO' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'HONO' ,'HONO' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'SO2' ,'SO2' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'NH3' ,'NH3' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'AACD' ,'AACD' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ALD2' ,'ALD2' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'FORM' ,'FORM' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'MEOH' ,'MEOH' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'FACD' ,'FACD' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'CO' ,'CO' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ALDX' ,'ALDX' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ETHA' ,'ETHA' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ETOH' ,'ETOH' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'KET' ,'KET' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PAR' ,'PAR' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ACET' ,'ACET' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PRPA' ,'PRPA' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ETHY' ,'ETHY' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ETH' ,'ETH' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'OLE' ,'OLE' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'IOLE' ,'IOLE' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ISOP' ,'ISOP' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'APIN' ,'APIN' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'TERP' ,'TERP' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'BENZ' ,'BENZENE' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'TOL' ,'TOL' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'XYLMN' ,'XYLMN' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'NAPH' ,'NAPH' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'CH4' ,'ECH4' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'CL2' ,'CL2' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'HCL' ,'HCL' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'SESQ' ,'SESQ' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'SOAALK' ,'SOAALK' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ACROLEIN','ACROLEIN' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ALD2_PRIMARY','ALD2_PRIMARY','GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'FORM_PRIMARY','FORM_PRIMARY','GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ACROLEIN','ACRO_PRIMARY','GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'BUTADIENE13','BUTADIENE13' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'SULF' ,'SULF' ,'GAS' ,0. ,'UNIT','a', \n\n ! Marine Halogen Chemistry\n 'EVERYWHERE', 'ALL' ,'HOI' ,'HOI' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'DMS' ,'DMS' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'CH3I' ,'CH3I' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'MI2' ,'MI2' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'MIB' ,'MIB' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'MIC' ,'MIC' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'BR2' ,'BR2' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'MB3' ,'MB3' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'MB2' ,'MB2' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'MB2C' ,'MB2C' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'MBC2' ,'MBC2' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'MBC' ,'MBC' ,'GAS' ,1. ,'UNIT','a', \n\n ! Default Aerosols\n 'EVERYWHERE', 'ALL' ,'SULF' ,'ASO4' ,'FINE' ,1. ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PSO4' ,'ASO4' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PNH4' ,'ANH4' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PNO3' ,'ANO3' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PCL' ,'ACL' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PNA' ,'ANA' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PEC' ,'AEC' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMOTHR' ,'AOTHR' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PFE' ,'AFE' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PAL' ,'AAL' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PSI' ,'ASI' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PTI' ,'ATI' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PCA' ,'ACA' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMG' ,'AMG' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PK' ,'AK' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMN' ,'AMN' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PH2O' ,'AH2O' ,'FINE' ,1. ,'UNIT','a', \n \n ! Coarse-Mode Inorganic Ions Scaling \n 'EVERYWHERE', 'ALL' ,'PMC' ,'ACORS' ,'COARSE',0.99675,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMC' ,'ASO4' ,'COARSE',0.001 ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMC' ,'ANO3' ,'COARSE',0.00048,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMC' ,'ACL' ,'COARSE',0.00145,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMC' ,'AH2O' ,'COARSE',0.00032,'UNIT','a', \n\n ! Fine-Mode Primary Organic Aerosol Scaling\n ! --> Nonvolatile POA\n 'EVERYWHERE', 'ALL' ,'POC' ,'APOC' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'APNCOM' ,'FINE',0. ,'MASS','a', \n ! --> Semivolatile POA (see CMAQ User's Guide Appendix B.2.2.1)\n 'EVERYWHERE', 'ALL' ,'POC' ,'VSVPO1' ,'GAS' ,0.045,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'VSVPO1' ,'GAS' ,0.045,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'POC' ,'VSVPO2' ,'GAS' ,0.14 ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'VSVPO2' ,'GAS' ,0.14 ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'POC' ,'VSVPO3' ,'GAS' ,0.18 ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'VSVPO3' ,'GAS' ,0.18 ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'POC' ,'VIVPO1' ,'GAS' ,0.50 ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'VIVPO1' ,'GAS' ,0.50 ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'POC' ,'ALVPO1' ,'FINE',0.09 ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'ALVPO1' ,'FINE',0.09 ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'POC' ,'ASVPO1' ,'FINE',0.045,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'ASVPO1' ,'FINE',0.045,'MASS','a', \n \n ! pcSOA is a CMAQ species introduced to account for missing pathways for SOA\n ! formation from combustion sources. It accounts for IVOC oxidation as well as \n ! other phenomena (Murphy et al., ACP, 2017). It was parameterized based on data\n ! primarily from Los Angeles, where vehicle exhaust continues to dominate.\n 'EVERYWHERE', 'ALL' ,'POC' ,'PCVOC' ,'GAS' ,6.579,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'PCVOC' ,'GAS' ,6.579,'MASS','a', \n\n ! However, the added pcSOA is probably inappropriate for Fire sources, especially\n ! in its current configuration. This pathway should be zeroed out for all fire\n ! and wood-burning related sources.\n 'EVERYWHERE', 'PT_FIRES' ,'ALL' ,'PCVOC' ,'GAS' ,0.0 ,'MASS','o', \n 'EVERYWHERE', 'PT_RXFIRES' ,'ALL' ,'PCVOC' ,'GAS' ,0.0 ,'MASS','o', \n 'EVERYWHERE', 'PT_WILDFIRES' ,'ALL' ,'PCVOC' ,'GAS' ,0.0 ,'MASS','o', \n 'EVERYWHERE', 'PT_AGFIRES' ,'ALL' ,'PCVOC' ,'GAS' ,0.0 ,'MASS','o', \n 'EVERYWHERE', 'PT_OTHFIRES' ,'ALL' ,'PCVOC' ,'GAS' ,0.0 ,'MASS','o', \n 'EVERYWHERE', 'PT_FIRES_MXCA','ALL' ,'PCVOC' ,'GAS' ,0.0 ,'MASS','o', \n 'EVERYWHERE', 'GR_RES_FIRES' ,'ALL' ,'PCVOC' ,'GAS' ,0.0 ,'MASS','o', \n \n ! Wind-Blown Dust and Sea Spray Scaling\n ! Fine Components\n 'EVERYWHERE', 'ALL' ,'PMFINE_LVPO1','ALVPO1' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_LVOO1','ALVOO1' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_SO4' ,'ASO4' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_NO3' ,'ANO3' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_CL' ,'ACL' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_NH4' ,'ANH4' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_NA' ,'ANA' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_CA' ,'ACA' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_MG' ,'AMG' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_K' ,'AK' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_FE' ,'AFE' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_AL' ,'AAL' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_SI' ,'ASI' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_TI' ,'ATI' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_MN' ,'AMN' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_H2O' ,'AH2O' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_OTHR' ,'AOTHR' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_BR' ,'ABR' ,'FINE',1. ,'UNIT','a', \n\n ! :Scaling of Fine-Mode POA from Wind-Blown Dust or Sea Spray. Either the \n ! :Nonvolatile POA should be propagated to the transport model, or the Low \n ! :Volatility POA should be propagated, not both.\n\n ! Wind-Blown Dust and Sea Spray Scaling\n ! Coarse Components \n 'EVERYWHERE', 'ALL' ,'PMCOARSE_SO4','ASO4' ,'COARSE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMCOARSE_NO3','ANO3' ,'COARSE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMCOARSE_CL' ,'ACL' ,'COARSE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMCOARSE_H2O','AH2O' ,'COARSE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMCOARSE_SOIL','ASOIL' ,'COARSE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMCOARSE_SEACAT','ASEACAT' ,'COARSE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMCOARSE_BR' ,'ABR' ,'COARSE',1. ,'UNIT','a', \n \n/\n\n" }, { "path": "CCTM/src/MECHS/cb6r5m_ae7_aq/CSQY_DATA_cb6r5m_ae7_aq", "content": "Table for Mechanism = CB6R5M_AE7_AQ \nNPHOTAB = 56\n!Individual rates listed below:\nNO2_IUPAC10 \nO3_O3P_IUPAC10 \nO3_O1D_IUPAC10 \nH2O2_IUPAC10 \nNO3NO2_06 \nNO3NO_06 \nN2O5_IUPAC10 \nHONO_IUPAC10 \nHNO3_IUPAC10 \nPNA_IUPAC10 \nPAN_IUPAC10 \nMEPX_IUPAC10 \nNTR_IUPAC10 \nFORM_R_IUPAC13 \nFORM_M_IUPAC13 \nALD2_R_IUPAC13 \nALDX_R_IUPAC13 \nGLYD_IUPAC13 \nGLY_R_IUPAC13 \nMGLY_IUPAC10 \nKET_IUPAC10 \nACET_IUPAC10 \nISPD \nHPALD \nCL2_IUPAC04 \nHOCL_IUPAC04 \nFMCL_IUPAC04 \nCLNO2_IUPAC13 \nCLONO2_1 \nCLONO2_2 \nIC3ONO2 \nACRO_09 \nBR2_IUPAC10 \nHOBR_IUPAC10 \nBRO_IUPAC10 \nBRNO2_IUPAC10 \nBRONO2_M_IUPAC10\nBRONO2_R_IUPAC10\nBRCL_IUPAC10 \nCOHBR_JPL2010 \nMB3_IUPAC10 \nMB2C_BLIDE98 \nMBC2_BLIDE98 \nI2_IUPAC10 \nHOI_IUPAC10 \nIO_IUPAC10 \nOIO_06 \nINO_06 \nINO2_06 \nIONO2_06 \nICL_IUPAC10 \nIBR_IUPAC10 \nCH3I_IUPAC10 \nMI2_IUPAC10 \nMIB_IUPAC10 \nMIC_IUPAC10 \nNTEMP = 6\n! I TEMP( I ) K\n 1 210.00\n 2 230.00\n 3 250.00\n 4 270.00\n 5 290.00\n 6 310.00\n! Wavelength and Photolysis Rate Parameters for CMAQ In-Line Photolysis\n! calculation . The values are determined by averaging technique over the below\n! number of wavelength bins. The technique employs an approach used by the FASTJX\n! versions 6 and 7.\n!References:\n! 1) Bian, H. S. and Prather, M. J.: Fast-J2: accurate simulation of stratospheric\n! photolysis in global chemical models, J. Atmos. Chem., 41, 281-296\n doi:10.1023/A:1014980619462, 2002.\n! 2) Hsu, J. and Prather, M. J.: Stratospheric variability and tropospheric ozone,\n! J. Geophys. Res., 114, D06102, doi:10.1029/2008JD010942, 2009.\n! 3) Prather, M. J.: Fast-JX versions and utilities, available at:\n! http://www.ess.uci.edu/researchgrp/prather/scholar_software/fast-jx\n! (last accessed: 24 January 2014), 2014.\n! Wave bands and Solar Flux\n! \nN_INLINE_BAND = 7\n! I, START_WL_BIN(nm), EFFECT_WL_BIN_(nm), END_WL_BIN_(nm), photon_flux(cm-2*s-1), \n 1, 291.000, 294.590, 298.300, 5.8828E+14, \n 2, 298.300, 303.151, 307.500, 7.6354E+14, \n 3, 307.500, 310.007, 312.500, 5.0412E+14, \n 4, 312.500, 316.434, 320.300, 8.9628E+14, \n 5, 320.300, 333.076, 345.000, 3.8537E+15, \n 6, 345.000, 381.997, 412.500, 1.5457E+16, \n 7, 412.500, 607.723, 850.000, 2.1307E+17, \n!... CS = absorption cross sections averaged over UCI Solar Flux\n!... QY = quantum yields averaged over UCI Solar Flux\n!... EQY = eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n!PHOTAB QUANTITY TEMP WBIN( 1) WBIN( 2) WBIN( 3) WBIN( 4) WBIN( 5) WBIN( 6) WBIN( 7)\nNO2_IUPAC10 CS 210.000 9.420958E-20 1.354622E-19 1.774391E-19 2.174503E-19 3.547179E-19 5.767915E-19 3.786790E-21\nNO2_IUPAC10 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 7.963594E-01 4.393946E-02\nNO2_IUPAC10 CS 230.000 9.434513E-20 1.353973E-19 1.770686E-19 2.162921E-19 3.512878E-19 5.752929E-19 3.777024E-21\nNO2_IUPAC10 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 7.963594E-01 4.393946E-02\nNO2_IUPAC10 CS 250.000 9.461621E-20 1.352675E-19 1.763276E-19 2.139758E-19 3.444275E-19 5.722957E-19 3.757493E-21\nNO2_IUPAC10 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 7.971660E-01 4.545939E-02\nNO2_IUPAC10 CS 270.000 9.488729E-20 1.351377E-19 1.755867E-19 2.116595E-19 3.375671E-19 5.692984E-19 3.737961E-21\nNO2_IUPAC10 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 8.052323E-01 6.065865E-02\nNO2_IUPAC10 CS 290.000 9.515838E-20 1.350079E-19 1.748457E-19 2.093432E-19 3.307068E-19 5.663012E-19 3.718430E-21\nNO2_IUPAC10 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 8.132986E-01 7.585791E-02\nNO2_IUPAC10 CS 310.000 9.521259E-20 1.349819E-19 1.746975E-19 2.088799E-19 3.293347E-19 5.657017E-19 3.714523E-21\nNO2_IUPAC10 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 8.165251E-01 8.193760E-02\nO3_O3P_IUPAC10 CS 210.000 8.051318E-19 2.408910E-19 9.055385E-20 3.615927E-20 4.571664E-21 4.615212E-23 1.523765E-21\nO3_O3P_IUPAC10 EQY 210.000 1.000000E-01 1.027219E-01 4.447545E-01 8.027972E-01 8.946853E-01 9.211782E-01 9.999820E-01\nO3_O3P_IUPAC10 CS 230.000 8.171868E-19 2.460948E-19 9.334247E-20 3.770529E-20 4.888574E-21 4.615212E-23 1.523765E-21\nO3_O3P_IUPAC10 EQY 230.000 1.000000E-01 1.027219E-01 4.402074E-01 8.051998E-01 8.946853E-01 9.211782E-01 9.999820E-01\nO3_O3P_IUPAC10 CS 250.000 8.372787E-19 2.547678E-19 9.799016E-20 4.028199E-20 5.416759E-21 4.615212E-23 1.523765E-21\nO3_O3P_IUPAC10 EQY 250.000 1.000000E-01 1.027219E-01 4.327254E-01 8.061814E-01 8.946853E-01 9.211782E-01 9.999820E-01\nO3_O3P_IUPAC10 CS 270.000 8.573704E-19 2.634407E-19 1.026379E-19 4.285869E-20 5.944944E-21 4.615212E-23 1.523765E-21\nO3_O3P_IUPAC10 EQY 270.000 1.000000E-01 1.027219E-01 4.200289E-01 8.006186E-01 8.946853E-01 9.211782E-01 9.999820E-01\nO3_O3P_IUPAC10 CS 290.000 8.774622E-19 2.721137E-19 1.072856E-19 4.543539E-20 6.473128E-21 4.615212E-23 1.523765E-21\nO3_O3P_IUPAC10 EQY 290.000 1.000000E-01 1.027219E-01 3.979119E-01 7.767363E-01 8.946853E-01 9.211782E-01 9.999820E-01\nO3_O3P_IUPAC10 CS 310.000 8.804761E-19 2.734146E-19 1.079827E-19 4.582189E-20 6.552356E-21 4.615212E-23 1.523765E-21\nO3_O3P_IUPAC10 EQY 310.000 1.000000E-01 1.027219E-01 3.582713E-01 7.092118E-01 8.946853E-01 9.211782E-01 9.999820E-01\nO3_O1D_IUPAC10 CS 210.000 8.051318E-19 2.408910E-19 9.055385E-20 3.615927E-20 4.571664E-21 4.615212E-23 1.523765E-21\nO3_O1D_IUPAC10 EQY 210.000 9.000000E-01 8.972781E-01 5.552455E-01 1.972028E-01 1.053147E-01 7.882178E-02 1.800060E-05\nO3_O1D_IUPAC10 CS 230.000 8.171868E-19 2.460948E-19 9.334247E-20 3.770529E-20 4.888574E-21 4.615212E-23 1.523765E-21\nO3_O1D_IUPAC10 EQY 230.000 9.000000E-01 8.972781E-01 5.597926E-01 1.948002E-01 1.053147E-01 7.882178E-02 1.800060E-05\nO3_O1D_IUPAC10 CS 250.000 8.372787E-19 2.547678E-19 9.799016E-20 4.028199E-20 5.416759E-21 4.615212E-23 1.523765E-21\nO3_O1D_IUPAC10 EQY 250.000 9.000000E-01 8.972781E-01 5.672746E-01 1.938186E-01 1.053147E-01 7.882178E-02 1.800060E-05\nO3_O1D_IUPAC10 CS 270.000 8.573704E-19 2.634407E-19 1.026379E-19 4.285869E-20 5.944944E-21 4.615212E-23 1.523765E-21\nO3_O1D_IUPAC10 EQY 270.000 9.000000E-01 8.972781E-01 5.799711E-01 1.993814E-01 1.053147E-01 7.882178E-02 1.800060E-05\nO3_O1D_IUPAC10 CS 290.000 8.774622E-19 2.721137E-19 1.072856E-19 4.543539E-20 6.473128E-21 4.615212E-23 1.523765E-21\nO3_O1D_IUPAC10 EQY 290.000 9.000000E-01 8.972781E-01 6.020881E-01 2.232637E-01 1.053147E-01 7.882178E-02 1.800060E-05\nO3_O1D_IUPAC10 CS 310.000 8.804761E-19 2.734146E-19 1.079827E-19 4.582189E-20 6.552356E-21 4.615212E-23 1.523765E-21\nO3_O1D_IUPAC10 EQY 310.000 9.000000E-01 8.972781E-01 6.417287E-01 2.907882E-01 1.053147E-01 7.882178E-02 1.800060E-05\nH2O2_IUPAC10 CS 210.000 9.663063E-21 5.877752E-21 3.837687E-21 2.660469E-21 1.015675E-21 5.105271E-23 0.000000E+00\nH2O2_IUPAC10 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.986846E-01 0.000000E+00\nH2O2_IUPAC10 CS 230.000 9.802651E-21 5.987925E-21 3.927030E-21 2.734720E-21 1.056133E-21 5.105271E-23 0.000000E+00\nH2O2_IUPAC10 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.986846E-01 0.000000E+00\nH2O2_IUPAC10 CS 250.000 9.991126E-21 6.136684E-21 4.047665E-21 2.834977E-21 1.110760E-21 5.105271E-23 0.000000E+00\nH2O2_IUPAC10 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.986846E-01 0.000000E+00\nH2O2_IUPAC10 CS 270.000 1.023066E-20 6.325741E-21 4.200981E-21 2.962393E-21 1.180187E-21 5.105271E-23 0.000000E+00\nH2O2_IUPAC10 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.986846E-01 0.000000E+00\nH2O2_IUPAC10 CS 290.000 1.052111E-20 6.554984E-21 4.386883E-21 3.116892E-21 1.264370E-21 5.105271E-23 0.000000E+00\nH2O2_IUPAC10 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.986846E-01 0.000000E+00\nH2O2_IUPAC10 CS 310.000 1.086042E-20 6.822793E-21 4.604061E-21 3.297382E-21 1.362715E-21 5.105271E-23 0.000000E+00\nH2O2_IUPAC10 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.986846E-01 0.000000E+00\nNO3NO2_06 CS 210.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 5.262113E-21 1.613590E-18\nNO3NO2_06 EQY 210.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00 5.942736E-01\nNO3NO2_06 CS 230.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.993950E-21 1.531360E-18\nNO3NO2_06 EQY 230.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00 6.050572E-01\nNO3NO2_06 CS 250.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.713711E-21 1.445427E-18\nNO3NO2_06 EQY 250.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00 6.142171E-01\nNO3NO2_06 CS 270.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.425707E-21 1.357113E-18\nNO3NO2_06 EQY 270.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00 6.233770E-01\nNO3NO2_06 CS 290.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.133394E-21 1.267477E-18\nNO3NO2_06 EQY 290.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00 6.325368E-01\nNO3NO2_06 CS 310.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 3.839497E-21 1.177355E-18\nNO3NO2_06 EQY 310.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00 6.362008E-01\nNO3NO_06 CS 210.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 5.262113E-21 1.613590E-18\nNO3NO_06 EQY 210.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 8.130509E-02\nNO3NO_06 CS 230.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.993950E-21 1.531360E-18\nNO3NO_06 EQY 230.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 8.048424E-02\nNO3NO_06 CS 250.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.713711E-21 1.445427E-18\nNO3NO_06 EQY 250.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 8.024673E-02\nNO3NO_06 CS 270.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.425707E-21 1.357113E-18\nNO3NO_06 EQY 270.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 8.000923E-02\nNO3NO_06 CS 290.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.133394E-21 1.267477E-18\nNO3NO_06 EQY 290.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 7.977173E-02\nNO3NO_06 CS 310.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 3.839497E-21 1.177355E-18\nNO3NO_06 EQY 310.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 7.967671E-02\nN2O5_IUPAC10 CS 210.000 5.286138E-20 3.282404E-20 2.191359E-20 1.511474E-20 6.060293E-21 6.152397E-22 0.000000E+00\nN2O5_IUPAC10 EQY 210.000 9.185266E-01 9.975538E-01 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nN2O5_IUPAC10 CS 230.000 5.286896E-20 3.282982E-20 2.191831E-20 1.511860E-20 6.062690E-21 6.157666E-22 0.000000E+00\nN2O5_IUPAC10 EQY 230.000 9.185266E-01 9.975538E-01 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nN2O5_IUPAC10 CS 250.000 5.287533E-20 3.283467E-20 2.192227E-20 1.512185E-20 6.064704E-21 6.162096E-22 0.000000E+00\nN2O5_IUPAC10 EQY 250.000 9.185266E-01 9.975538E-01 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nN2O5_IUPAC10 CS 270.000 5.288076E-20 3.283881E-20 2.192564E-20 1.512461E-20 6.066420E-21 6.165872E-22 0.000000E+00\nN2O5_IUPAC10 EQY 270.000 9.185266E-01 9.975538E-01 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nN2O5_IUPAC10 CS 290.000 5.288543E-20 3.284238E-20 2.192855E-20 1.512700E-20 6.067900E-21 6.169129E-22 0.000000E+00\nN2O5_IUPAC10 EQY 290.000 9.185266E-01 9.975538E-01 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nN2O5_IUPAC10 CS 310.000 5.288754E-20 3.284398E-20 2.192985E-20 1.512807E-20 6.068566E-21 6.170595E-22 0.000000E+00\nN2O5_IUPAC10 EQY 310.000 9.185266E-01 9.975538E-01 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHONO_IUPAC10 CS 210.000 1.874562E-20 6.161052E-21 1.172420E-20 2.303942E-20 8.731945E-20 7.564806E-20 0.000000E+00\nHONO_IUPAC10 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.999840E-01 0.000000E+00\nHONO_IUPAC10 CS 230.000 1.874562E-20 6.161052E-21 1.172420E-20 2.303942E-20 8.731945E-20 7.564806E-20 0.000000E+00\nHONO_IUPAC10 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.999840E-01 0.000000E+00\nHONO_IUPAC10 CS 250.000 1.874562E-20 6.161052E-21 1.172420E-20 2.303942E-20 8.731945E-20 7.564806E-20 0.000000E+00\nHONO_IUPAC10 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.999840E-01 0.000000E+00\nHONO_IUPAC10 CS 270.000 1.874562E-20 6.161052E-21 1.172420E-20 2.303942E-20 8.731945E-20 7.564806E-20 0.000000E+00\nHONO_IUPAC10 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.999840E-01 0.000000E+00\nHONO_IUPAC10 CS 290.000 1.874562E-20 6.161052E-21 1.172420E-20 2.303942E-20 8.731945E-20 7.564806E-20 0.000000E+00\nHONO_IUPAC10 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.999840E-01 0.000000E+00\nHONO_IUPAC10 CS 310.000 1.874562E-20 6.161052E-21 1.172420E-20 2.303942E-20 8.731945E-20 7.564806E-20 0.000000E+00\nHONO_IUPAC10 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.999840E-01 0.000000E+00\nHNO3_IUPAC10 CS 210.000 4.166234E-21 1.877995E-21 7.805607E-22 3.243519E-22 2.838103E-23 3.550938E-25 0.000000E+00\nHNO3_IUPAC10 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.983369E-01 0.000000E+00\nHNO3_IUPAC10 CS 230.000 4.388597E-21 2.011394E-21 8.503601E-22 3.623056E-22 3.431827E-23 3.587909E-25 0.000000E+00\nHNO3_IUPAC10 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.983369E-01 0.000000E+00\nHNO3_IUPAC10 CS 250.000 4.622829E-21 2.154269E-21 9.264013E-22 4.047005E-22 4.149756E-23 3.625265E-25 0.000000E+00\nHNO3_IUPAC10 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.983369E-01 0.000000E+00\nHNO3_IUPAC10 CS 270.000 4.869561E-21 2.307292E-21 1.009242E-21 4.520562E-22 5.017875E-23 3.663011E-25 0.000000E+00\nHNO3_IUPAC10 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.983369E-01 0.000000E+00\nHNO3_IUPAC10 CS 290.000 5.129463E-21 2.471185E-21 1.099491E-21 5.049532E-22 6.067601E-23 3.701149E-25 0.000000E+00\nHNO3_IUPAC10 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.983369E-01 0.000000E+00\nHNO3_IUPAC10 CS 310.000 5.403236E-21 2.646719E-21 1.197810E-21 5.640399E-22 7.336928E-23 3.739684E-25 0.000000E+00\nHNO3_IUPAC10 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.983369E-01 0.000000E+00\nPNA_IUPAC10 CS 210.000 2.768231E-20 1.086640E-20 4.753695E-21 2.705257E-21 3.427064E-22 0.000000E+00 0.000000E+00\nPNA_IUPAC10 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.993055E-01 0.000000E+00 0.000000E+00\nPNA_IUPAC10 CS 230.000 2.825610E-20 1.126199E-20 5.012977E-21 2.902247E-21 3.888219E-22 0.000000E+00 0.000000E+00\nPNA_IUPAC10 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.993055E-01 0.000000E+00 0.000000E+00\nPNA_IUPAC10 CS 250.000 2.908251E-20 1.183175E-20 5.386413E-21 3.185963E-21 4.552405E-22 0.000000E+00 0.000000E+00\nPNA_IUPAC10 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.993055E-01 0.000000E+00 0.000000E+00\nPNA_IUPAC10 CS 270.000 3.019241E-20 1.259695E-20 5.887948E-21 3.567003E-21 5.444426E-22 0.000000E+00 0.000000E+00\nPNA_IUPAC10 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.993055E-01 0.000000E+00 0.000000E+00\nPNA_IUPAC10 CS 290.000 3.160436E-20 1.357040E-20 6.525974E-21 4.051742E-21 6.579210E-22 0.000000E+00 0.000000E+00\nPNA_IUPAC10 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.993055E-01 0.000000E+00 0.000000E+00\nPNA_IUPAC10 CS 310.000 3.332532E-20 1.475689E-20 7.303630E-21 4.642564E-21 7.962334E-22 0.000000E+00 0.000000E+00\nPNA_IUPAC10 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.993055E-01 0.000000E+00 0.000000E+00\nPAN_IUPAC10 CS 210.000 1.945595E-21 7.375681E-22 3.339314E-22 1.711848E-22 3.676151E-23 1.420572E-24 0.000000E+00\nPAN_IUPAC10 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.982885E-01 0.000000E+00\nPAN_IUPAC10 CS 230.000 2.279872E-21 8.774045E-22 4.009705E-22 2.076227E-22 4.614925E-23 1.435982E-24 0.000000E+00\nPAN_IUPAC10 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.982885E-01 0.000000E+00\nPAN_IUPAC10 CS 250.000 2.671583E-21 1.043752E-21 4.814681E-22 2.518166E-22 5.793432E-23 1.451559E-24 0.000000E+00\nPAN_IUPAC10 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.982885E-01 0.000000E+00\nPAN_IUPAC10 CS 270.000 3.130594E-21 1.241639E-21 5.781261E-22 3.054176E-22 7.272892E-23 1.467305E-24 0.000000E+00\nPAN_IUPAC10 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.982885E-01 0.000000E+00\nPAN_IUPAC10 CS 290.000 3.668470E-21 1.477042E-21 6.941890E-22 3.704279E-22 9.130162E-23 1.483222E-24 0.000000E+00\nPAN_IUPAC10 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.982885E-01 0.000000E+00\nPAN_IUPAC10 CS 310.000 4.298759E-21 1.757076E-21 8.335523E-22 4.492761E-22 1.146172E-22 1.499311E-24 0.000000E+00\nPAN_IUPAC10 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.982885E-01 0.000000E+00\nMEPX_IUPAC10 CS 210.000 6.280529E-21 4.060546E-21 2.741565E-21 1.980587E-21 8.228210E-22 5.779768E-23 0.000000E+00\nMEPX_IUPAC10 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.995850E-01 0.000000E+00\nMEPX_IUPAC10 CS 230.000 6.280529E-21 4.060546E-21 2.741565E-21 1.980587E-21 8.228210E-22 5.779768E-23 0.000000E+00\nMEPX_IUPAC10 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.995850E-01 0.000000E+00\nMEPX_IUPAC10 CS 250.000 6.280529E-21 4.060546E-21 2.741565E-21 1.980587E-21 8.228210E-22 5.779768E-23 0.000000E+00\nMEPX_IUPAC10 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.995850E-01 0.000000E+00\nMEPX_IUPAC10 CS 270.000 6.280529E-21 4.060546E-21 2.741565E-21 1.980587E-21 8.228210E-22 5.779768E-23 0.000000E+00\nMEPX_IUPAC10 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.995850E-01 0.000000E+00\nMEPX_IUPAC10 CS 290.000 6.280529E-21 4.060546E-21 2.741565E-21 1.980587E-21 8.228210E-22 5.779768E-23 0.000000E+00\nMEPX_IUPAC10 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.995850E-01 0.000000E+00\nMEPX_IUPAC10 CS 310.000 6.280529E-21 4.060546E-21 2.741565E-21 1.980587E-21 8.228210E-22 5.779768E-23 0.000000E+00\nMEPX_IUPAC10 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.995850E-01 0.000000E+00\nNTR_IUPAC10 CS 210.000 1.076218E-20 5.464268E-21 2.614017E-21 1.242460E-21 1.566121E-22 1.627988E-24 0.000000E+00\nNTR_IUPAC10 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.998643E-01 0.000000E+00\nNTR_IUPAC10 CS 230.000 1.076218E-20 5.464268E-21 2.614017E-21 1.242460E-21 1.566121E-22 1.627988E-24 0.000000E+00\nNTR_IUPAC10 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.998643E-01 0.000000E+00\nNTR_IUPAC10 CS 250.000 1.128924E-20 5.792141E-21 2.800412E-21 1.353672E-21 1.751516E-22 1.627988E-24 0.000000E+00\nNTR_IUPAC10 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.998643E-01 0.000000E+00\nNTR_IUPAC10 CS 270.000 1.242207E-20 6.508089E-21 3.214023E-21 1.606851E-21 2.190747E-22 1.627988E-24 0.000000E+00\nNTR_IUPAC10 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.998643E-01 0.000000E+00\nNTR_IUPAC10 CS 290.000 1.366857E-20 7.312533E-21 3.688722E-21 1.907382E-21 2.740124E-22 1.627988E-24 0.000000E+00\nNTR_IUPAC10 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.998643E-01 0.000000E+00\nNTR_IUPAC10 CS 310.000 1.504015E-20 8.216412E-21 4.233534E-21 2.264122E-21 3.427270E-22 1.627988E-24 0.000000E+00\nNTR_IUPAC10 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.998643E-01 0.000000E+00\nFORM_R_IUPAC13 CS 210.000 3.183341E-20 3.299377E-20 1.538316E-20 3.249054E-20 1.927902E-20 7.819422E-22 0.000000E+00\nFORM_R_IUPAC13 EQY 210.000 7.325943E-01 7.020468E-01 6.968195E-01 6.939636E-01 2.062342E-01 4.642611E-03 0.000000E+00\nFORM_R_IUPAC13 CS 230.000 3.180326E-20 3.299156E-20 1.537452E-20 3.251374E-20 1.929003E-20 7.814351E-22 0.000000E+00\nFORM_R_IUPAC13 EQY 230.000 7.325943E-01 7.020468E-01 6.968195E-01 6.939636E-01 2.062342E-01 4.642611E-03 0.000000E+00\nFORM_R_IUPAC13 CS 250.000 3.177310E-20 3.298936E-20 1.536589E-20 3.253694E-20 1.930104E-20 7.809278E-22 0.000000E+00\nFORM_R_IUPAC13 EQY 250.000 7.325943E-01 7.020468E-01 6.968195E-01 6.939636E-01 2.062342E-01 4.642611E-03 0.000000E+00\nFORM_R_IUPAC13 CS 270.000 3.174294E-20 3.298716E-20 1.535726E-20 3.256014E-20 1.931205E-20 7.804207E-22 0.000000E+00\nFORM_R_IUPAC13 EQY 270.000 7.325943E-01 7.020468E-01 6.968195E-01 6.939636E-01 2.062342E-01 4.642611E-03 0.000000E+00\nFORM_R_IUPAC13 CS 290.000 3.171278E-20 3.298495E-20 1.534863E-20 3.258335E-20 1.932306E-20 7.799134E-22 0.000000E+00\nFORM_R_IUPAC13 EQY 290.000 7.325943E-01 7.020468E-01 6.968195E-01 6.939636E-01 2.062342E-01 4.642611E-03 0.000000E+00\nFORM_R_IUPAC13 CS 310.000 3.169770E-20 3.298385E-20 1.534431E-20 3.259494E-20 1.932857E-20 7.796598E-22 0.000000E+00\nFORM_R_IUPAC13 EQY 310.000 7.325943E-01 7.020468E-01 6.968195E-01 6.939636E-01 2.062342E-01 4.642611E-03 0.000000E+00\nFORM_M_IUPAC13 CS 210.000 3.183341E-20 3.299377E-20 1.538316E-20 3.249054E-20 1.927902E-20 7.819422E-22 0.000000E+00\nFORM_M_IUPAC13 EQY 210.000 2.674058E-01 2.979532E-01 3.031805E-01 3.060364E-01 6.197889E-01 3.249540E-01 0.000000E+00\nFORM_M_IUPAC13 CS 230.000 3.180326E-20 3.299156E-20 1.537452E-20 3.251374E-20 1.929003E-20 7.814351E-22 0.000000E+00\nFORM_M_IUPAC13 EQY 230.000 2.674058E-01 2.979532E-01 3.031805E-01 3.060364E-01 6.151104E-01 3.123051E-01 0.000000E+00\nFORM_M_IUPAC13 CS 250.000 3.177310E-20 3.298936E-20 1.536589E-20 3.253694E-20 1.930104E-20 7.809278E-22 0.000000E+00\nFORM_M_IUPAC13 EQY 250.000 2.674058E-01 2.979532E-01 3.031805E-01 3.060364E-01 6.054386E-01 2.893018E-01 0.000000E+00\nFORM_M_IUPAC13 CS 270.000 3.174294E-20 3.298716E-20 1.535726E-20 3.256014E-20 1.931205E-20 7.804207E-22 0.000000E+00\nFORM_M_IUPAC13 EQY 270.000 2.674058E-01 2.979532E-01 3.031805E-01 3.060364E-01 5.955116E-01 2.692139E-01 0.000000E+00\nFORM_M_IUPAC13 CS 290.000 3.171278E-20 3.298495E-20 1.534863E-20 3.258335E-20 1.932306E-20 7.799134E-22 0.000000E+00\nFORM_M_IUPAC13 EQY 290.000 2.674058E-01 2.979532E-01 3.031805E-01 3.060364E-01 5.853828E-01 2.515744E-01 0.000000E+00\nFORM_M_IUPAC13 CS 310.000 3.169770E-20 3.298385E-20 1.534431E-20 3.259494E-20 1.932857E-20 7.796598E-22 0.000000E+00\nFORM_M_IUPAC13 EQY 310.000 2.674058E-01 2.979532E-01 3.031805E-01 3.060364E-01 5.802345E-01 2.435120E-01 0.000000E+00\nALD2_R_IUPAC13 CS 210.000 4.432586E-20 3.717937E-20 2.933103E-20 2.105459E-20 5.353235E-21 1.388418E-23 0.000000E+00\nALD2_R_IUPAC13 EQY 210.000 5.721845E-01 4.517220E-01 3.206589E-01 1.785219E-01 3.513154E-02 0.000000E+00 0.000000E+00\nALD2_R_IUPAC13 CS 230.000 4.432586E-20 3.717937E-20 2.933103E-20 2.105459E-20 5.353235E-21 1.388418E-23 0.000000E+00\nALD2_R_IUPAC13 EQY 230.000 5.721845E-01 4.517220E-01 3.206589E-01 1.785219E-01 3.513154E-02 0.000000E+00 0.000000E+00\nALD2_R_IUPAC13 CS 250.000 4.432586E-20 3.717937E-20 2.933103E-20 2.105459E-20 5.353235E-21 1.388418E-23 0.000000E+00\nALD2_R_IUPAC13 EQY 250.000 5.721845E-01 4.517220E-01 3.206589E-01 1.785219E-01 3.513154E-02 0.000000E+00 0.000000E+00\nALD2_R_IUPAC13 CS 270.000 4.432586E-20 3.717937E-20 2.933103E-20 2.105459E-20 5.353235E-21 1.388418E-23 0.000000E+00\nALD2_R_IUPAC13 EQY 270.000 5.721845E-01 4.517220E-01 3.206589E-01 1.785219E-01 3.513154E-02 0.000000E+00 0.000000E+00\nALD2_R_IUPAC13 CS 290.000 4.432586E-20 3.717937E-20 2.933103E-20 2.105459E-20 5.353235E-21 1.388418E-23 0.000000E+00\nALD2_R_IUPAC13 EQY 290.000 5.721845E-01 4.517220E-01 3.206589E-01 1.785219E-01 3.513154E-02 0.000000E+00 0.000000E+00\nALD2_R_IUPAC13 CS 310.000 4.432586E-20 3.717937E-20 2.933103E-20 2.105459E-20 5.353235E-21 1.388418E-23 0.000000E+00\nALD2_R_IUPAC13 EQY 310.000 5.721845E-01 4.517220E-01 3.206589E-01 1.785219E-01 3.513154E-02 0.000000E+00 0.000000E+00\nALDX_R_IUPAC13 CS 210.000 5.852983E-20 5.282509E-20 4.273233E-20 3.228716E-20 8.347573E-21 0.000000E+00 0.000000E+00\nALDX_R_IUPAC13 EQY 210.000 8.779770E-01 9.973180E-01 1.000000E+00 1.000000E+00 8.999137E-01 0.000000E+00 0.000000E+00\nALDX_R_IUPAC13 CS 230.000 5.852983E-20 5.282509E-20 4.273233E-20 3.228716E-20 8.347573E-21 0.000000E+00 0.000000E+00\nALDX_R_IUPAC13 EQY 230.000 8.779770E-01 9.973180E-01 1.000000E+00 1.000000E+00 8.999137E-01 0.000000E+00 0.000000E+00\nALDX_R_IUPAC13 CS 250.000 5.852983E-20 5.282509E-20 4.273233E-20 3.228716E-20 8.347573E-21 0.000000E+00 0.000000E+00\nALDX_R_IUPAC13 EQY 250.000 8.779770E-01 9.973180E-01 1.000000E+00 1.000000E+00 8.999137E-01 0.000000E+00 0.000000E+00\nALDX_R_IUPAC13 CS 270.000 5.852983E-20 5.282509E-20 4.273233E-20 3.228716E-20 8.347573E-21 0.000000E+00 0.000000E+00\nALDX_R_IUPAC13 EQY 270.000 8.779770E-01 9.973180E-01 1.000000E+00 1.000000E+00 8.999137E-01 0.000000E+00 0.000000E+00\nALDX_R_IUPAC13 CS 290.000 5.852983E-20 5.282509E-20 4.273233E-20 3.228716E-20 8.347573E-21 0.000000E+00 0.000000E+00\nALDX_R_IUPAC13 EQY 290.000 8.779770E-01 9.973180E-01 1.000000E+00 1.000000E+00 8.999137E-01 0.000000E+00 0.000000E+00\nALDX_R_IUPAC13 CS 310.000 5.852983E-20 5.282509E-20 4.273233E-20 3.228716E-20 8.347573E-21 0.000000E+00 0.000000E+00\nALDX_R_IUPAC13 EQY 310.000 8.779770E-01 9.973180E-01 1.000000E+00 1.000000E+00 8.999137E-01 0.000000E+00 0.000000E+00\nGLYD_IUPAC13 CS 210.000 3.704782E-20 2.277373E-20 1.257586E-20 5.852344E-21 6.507965E-22 0.000000E+00 0.000000E+00\nGLYD_IUPAC13 EQY 210.000 7.500000E-01 7.500000E-01 7.500000E-01 7.500000E-01 7.500000E-01 0.000000E+00 0.000000E+00\nGLYD_IUPAC13 CS 230.000 3.704782E-20 2.277373E-20 1.257586E-20 5.852344E-21 6.507965E-22 0.000000E+00 0.000000E+00\nGLYD_IUPAC13 EQY 230.000 7.500000E-01 7.500000E-01 7.500000E-01 7.500000E-01 7.500000E-01 0.000000E+00 0.000000E+00\nGLYD_IUPAC13 CS 250.000 3.704782E-20 2.277373E-20 1.257586E-20 5.852344E-21 6.507965E-22 0.000000E+00 0.000000E+00\nGLYD_IUPAC13 EQY 250.000 7.500000E-01 7.500000E-01 7.500000E-01 7.500000E-01 7.500000E-01 0.000000E+00 0.000000E+00\nGLYD_IUPAC13 CS 270.000 3.704782E-20 2.277373E-20 1.257586E-20 5.852344E-21 6.507965E-22 0.000000E+00 0.000000E+00\nGLYD_IUPAC13 EQY 270.000 7.500000E-01 7.500000E-01 7.500000E-01 7.500000E-01 7.500000E-01 0.000000E+00 0.000000E+00\nGLYD_IUPAC13 CS 290.000 3.704782E-20 2.277373E-20 1.257586E-20 5.852344E-21 6.507965E-22 0.000000E+00 0.000000E+00\nGLYD_IUPAC13 EQY 290.000 7.500000E-01 7.500000E-01 7.500000E-01 7.500000E-01 7.500000E-01 0.000000E+00 0.000000E+00\nGLYD_IUPAC13 CS 310.000 3.704782E-20 2.277373E-20 1.257586E-20 5.852344E-21 6.507965E-22 0.000000E+00 0.000000E+00\nGLYD_IUPAC13 EQY 310.000 7.500000E-01 7.500000E-01 7.500000E-01 7.500000E-01 7.500000E-01 0.000000E+00 0.000000E+00\nGLY_R_IUPAC13 CS 210.000 3.792117E-20 3.572108E-20 3.194423E-20 2.574261E-20 1.106789E-20 2.757124E-20 1.066760E-20\nGLY_R_IUPAC13 EQY 210.000 5.417586E-01 5.282888E-01 5.425920E-01 5.719462E-01 6.539832E-01 1.335054E-01 5.191700E-17\nGLY_R_IUPAC13 CS 230.000 3.792117E-20 3.572108E-20 3.194423E-20 2.574261E-20 1.106789E-20 2.757124E-20 1.066760E-20\nGLY_R_IUPAC13 EQY 230.000 5.412837E-01 5.273820E-01 5.410793E-01 5.695508E-01 6.480343E-01 1.406395E-01 6.255050E-16\nGLY_R_IUPAC13 CS 250.000 3.792117E-20 3.572108E-20 3.194423E-20 2.574261E-20 1.106789E-20 2.757124E-20 1.066760E-20\nGLY_R_IUPAC13 EQY 250.000 5.407746E-01 5.264520E-01 5.395834E-01 5.672647E-01 6.429353E-01 1.478171E-01 1.247636E-09\nGLY_R_IUPAC13 CS 270.000 3.792117E-20 3.572108E-20 3.194423E-20 2.574261E-20 1.106789E-20 2.757124E-20 1.066760E-20\nGLY_R_IUPAC13 EQY 270.000 5.402412E-01 5.255162E-01 5.381273E-01 5.651107E-01 6.385970E-01 1.550556E-01 5.386577E-06\nGLY_R_IUPAC13 CS 290.000 3.792117E-20 3.572108E-20 3.194423E-20 2.574261E-20 1.106789E-20 2.757124E-20 1.066760E-20\nGLY_R_IUPAC13 EQY 290.000 5.396925E-01 5.245881E-01 5.367267E-01 5.631009E-01 6.349310E-01 1.622865E-01 7.036469E-04\nGLY_R_IUPAC13 CS 310.000 3.792117E-20 3.572108E-20 3.194423E-20 2.574261E-20 1.106789E-20 2.757124E-20 1.066760E-20\nGLY_R_IUPAC13 EQY 310.000 5.391361E-01 5.236784E-01 5.353922E-01 5.612398E-01 6.318546E-01 1.694831E-01 1.456810E-02\nMGLY_IUPAC10 CS 210.000 4.623980E-20 3.737641E-20 2.838188E-20 2.024261E-20 7.313774E-21 3.354496E-20 8.017686E-21\nMGLY_IUPAC10 EQY 210.000 9.424525E-01 9.055298E-01 8.638632E-01 8.161852E-01 6.723635E-01 1.057406E-01 2.062893E-02\nMGLY_IUPAC10 CS 230.000 4.623980E-20 3.737641E-20 2.838188E-20 2.024261E-20 7.313774E-21 3.354496E-20 8.017686E-21\nMGLY_IUPAC10 EQY 230.000 9.424612E-01 9.055434E-01 8.638818E-01 8.162095E-01 6.724034E-01 1.057492E-01 2.062893E-02\nMGLY_IUPAC10 CS 250.000 4.623980E-20 3.737641E-20 2.838188E-20 2.024261E-20 7.313774E-21 3.354496E-20 8.017686E-21\nMGLY_IUPAC10 EQY 250.000 9.424697E-01 9.055570E-01 8.639004E-01 8.162335E-01 6.724433E-01 1.057578E-01 2.062893E-02\nMGLY_IUPAC10 CS 270.000 4.623980E-20 3.737641E-20 2.838188E-20 2.024261E-20 7.313774E-21 3.354496E-20 8.017686E-21\nMGLY_IUPAC10 EQY 270.000 9.424782E-01 9.055706E-01 8.639192E-01 8.162577E-01 6.724831E-01 1.057665E-01 2.062893E-02\nMGLY_IUPAC10 CS 290.000 4.623980E-20 3.737641E-20 2.838188E-20 2.024261E-20 7.313774E-21 3.354496E-20 8.017686E-21\nMGLY_IUPAC10 EQY 290.000 9.424869E-01 9.055842E-01 8.639378E-01 8.162817E-01 6.725230E-01 1.057751E-01 2.062893E-02\nMGLY_IUPAC10 CS 310.000 4.623980E-20 3.737641E-20 2.838188E-20 2.024261E-20 7.313774E-21 3.354496E-20 8.017686E-21\nMGLY_IUPAC10 EQY 310.000 9.424955E-01 9.055978E-01 8.639566E-01 8.163059E-01 6.725629E-01 1.057837E-01 2.062893E-02\nKET_IUPAC10 CS 210.000 4.244734E-20 2.775264E-20 1.650076E-20 8.235885E-21 8.879242E-22 2.161979E-25 0.000000E+00\nKET_IUPAC10 EQY 210.000 3.557317E-01 2.281597E-01 9.456919E-02 4.449943E-02 1.703344E-02 2.980055E-03 0.000000E+00\nKET_IUPAC10 CS 230.000 4.244734E-20 2.775264E-20 1.650076E-20 8.235885E-21 8.879242E-22 2.161979E-25 0.000000E+00\nKET_IUPAC10 EQY 230.000 3.557317E-01 2.281597E-01 9.456919E-02 4.449943E-02 1.703344E-02 2.980055E-03 0.000000E+00\nKET_IUPAC10 CS 250.000 4.244734E-20 2.775264E-20 1.650076E-20 8.235885E-21 8.879242E-22 2.161979E-25 0.000000E+00\nKET_IUPAC10 EQY 250.000 3.557317E-01 2.281597E-01 9.456919E-02 4.449943E-02 1.703344E-02 2.980055E-03 0.000000E+00\nKET_IUPAC10 CS 270.000 4.244734E-20 2.775264E-20 1.650076E-20 8.235885E-21 8.879242E-22 2.161979E-25 0.000000E+00\nKET_IUPAC10 EQY 270.000 3.557317E-01 2.281597E-01 9.456919E-02 4.449943E-02 1.703344E-02 2.980055E-03 0.000000E+00\nKET_IUPAC10 CS 290.000 4.244734E-20 2.775264E-20 1.650076E-20 8.235885E-21 8.879242E-22 2.161979E-25 0.000000E+00\nKET_IUPAC10 EQY 290.000 3.557317E-01 2.281597E-01 9.456919E-02 4.449943E-02 1.703344E-02 2.980055E-03 0.000000E+00\nKET_IUPAC10 CS 310.000 4.244734E-20 2.775264E-20 1.650076E-20 8.235885E-21 8.879242E-22 2.161979E-25 0.000000E+00\nKET_IUPAC10 EQY 310.000 3.557317E-01 2.281597E-01 9.456919E-02 4.449943E-02 1.703344E-02 2.980055E-03 0.000000E+00\nACET_IUPAC10 CS 210.000 3.154020E-20 1.990274E-20 1.121114E-20 5.714158E-21 4.839526E-22 9.619963E-25 0.000000E+00\nACET_IUPAC10 EQY 210.000 3.142315E-01 9.508523E-02 1.347957E-02 2.101419E-03 4.774525E-05 2.883126E-03 0.000000E+00\nACET_IUPAC10 CS 230.000 3.210615E-20 2.065870E-20 1.200334E-20 6.223282E-21 5.288214E-22 9.615415E-25 0.000000E+00\nACET_IUPAC10 EQY 230.000 2.892200E-01 1.028149E-01 1.893153E-02 3.808953E-03 1.663003E-04 2.883126E-03 0.000000E+00\nACET_IUPAC10 CS 250.000 3.284215E-20 2.146998E-20 1.277972E-20 6.735570E-21 6.082958E-22 9.633595E-25 0.000000E+00\nACET_IUPAC10 EQY 250.000 2.868186E-01 1.209827E-01 2.841206E-02 7.388534E-03 7.029614E-04 2.883126E-03 0.000000E+00\nACET_IUPAC10 CS 270.000 3.374994E-20 2.230310E-20 1.348986E-20 7.221250E-21 7.267921E-22 9.679524E-25 0.000000E+00\nACET_IUPAC10 EQY 270.000 3.030808E-01 1.525401E-01 4.579334E-02 1.553840E-02 3.012870E-03 2.883126E-03 0.000000E+00\nACET_IUPAC10 CS 290.000 3.483127E-20 2.312459E-20 1.408336E-20 7.650557E-21 8.887266E-22 9.758227E-25 0.000000E+00\nACET_IUPAC10 EQY 290.000 3.373500E-01 2.015979E-01 7.683466E-02 3.310391E-02 1.071987E-02 2.883126E-03 0.000000E+00\nACET_IUPAC10 CS 310.000 3.608787E-20 2.390098E-20 1.450979E-20 7.993726E-21 1.098516E-21 9.874724E-25 0.000000E+00\nACET_IUPAC10 EQY 310.000 3.878387E-01 2.703615E-01 1.273605E-01 6.627605E-02 3.052155E-02 2.883126E-03 0.000000E+00\nISPD CS 210.000 2.840289E-20 4.154632E-20 5.213074E-20 6.122464E-20 6.678539E-20 1.408010E-20 0.000000E+00\nISPD EQY 210.000 5.009691E-02 5.009691E-02 5.009691E-02 5.009691E-02 5.009691E-02 5.009691E-02 0.000000E+00\nISPD CS 230.000 2.840289E-20 4.154632E-20 5.213074E-20 6.122464E-20 6.678539E-20 1.408010E-20 0.000000E+00\nISPD EQY 230.000 5.009691E-02 5.009691E-02 5.009691E-02 5.009691E-02 5.009691E-02 5.009691E-02 0.000000E+00\nISPD CS 250.000 2.840289E-20 4.154632E-20 5.213074E-20 6.122464E-20 6.678539E-20 1.408010E-20 0.000000E+00\nISPD EQY 250.000 5.009691E-02 5.009691E-02 5.009691E-02 5.009691E-02 5.009691E-02 5.009691E-02 0.000000E+00\nISPD CS 270.000 2.840289E-20 4.154632E-20 5.213074E-20 6.122464E-20 6.678539E-20 1.408010E-20 0.000000E+00\nISPD EQY 270.000 5.009691E-02 5.009691E-02 5.009691E-02 5.009691E-02 5.009691E-02 5.009691E-02 0.000000E+00\nISPD CS 290.000 2.840289E-20 4.154632E-20 5.213074E-20 6.122464E-20 6.678539E-20 1.408010E-20 0.000000E+00\nISPD EQY 290.000 5.009691E-02 5.009691E-02 5.009691E-02 5.009691E-02 5.009691E-02 5.009691E-02 0.000000E+00\nISPD CS 310.000 2.840289E-20 4.154632E-20 5.213074E-20 6.122464E-20 6.678539E-20 1.408010E-20 0.000000E+00\nISPD EQY 310.000 5.009691E-02 5.009691E-02 5.009691E-02 5.009691E-02 5.009691E-02 5.009691E-02 0.000000E+00\nHPALD CS 210.000 2.639069E-20 3.936243E-20 4.989643E-20 5.926228E-20 6.528440E-20 1.326810E-20 0.000000E+00\nHPALD EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHPALD CS 230.000 2.639069E-20 3.936243E-20 4.989643E-20 5.926228E-20 6.528440E-20 1.326810E-20 0.000000E+00\nHPALD EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHPALD CS 250.000 2.639069E-20 3.936243E-20 4.989643E-20 5.926228E-20 6.528440E-20 1.326810E-20 0.000000E+00\nHPALD EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHPALD CS 270.000 2.639069E-20 3.936243E-20 4.989643E-20 5.926228E-20 6.528440E-20 1.326810E-20 0.000000E+00\nHPALD EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHPALD CS 290.000 2.639069E-20 3.936243E-20 4.989643E-20 5.926228E-20 6.528440E-20 1.326810E-20 0.000000E+00\nHPALD EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHPALD CS 310.000 2.639069E-20 3.936243E-20 4.989643E-20 5.926228E-20 6.528440E-20 1.326810E-20 0.000000E+00\nHPALD EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCL2_IUPAC04 CS 210.000 8.459998E-20 1.387449E-19 1.859079E-19 2.232772E-19 2.484952E-19 6.038539E-20 6.788245E-22\nCL2_IUPAC04 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nCL2_IUPAC04 CS 230.000 8.524757E-20 1.389977E-19 1.856245E-19 2.224567E-19 2.471989E-19 6.124574E-20 6.788245E-22\nCL2_IUPAC04 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nCL2_IUPAC04 CS 250.000 8.601563E-20 1.392877E-19 1.852748E-19 2.214706E-19 2.456518E-19 6.228141E-20 6.788245E-22\nCL2_IUPAC04 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nCL2_IUPAC04 CS 270.000 8.688803E-20 1.396037E-19 1.848591E-19 2.203326E-19 2.438807E-19 6.347855E-20 6.788245E-22\nCL2_IUPAC04 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nCL2_IUPAC04 CS 290.000 8.784630E-20 1.399339E-19 1.843792E-19 2.190595E-19 2.419169E-19 6.481979E-20 6.788245E-22\nCL2_IUPAC04 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nCL2_IUPAC04 CS 310.000 8.835163E-20 1.401007E-19 1.841159E-19 2.183779E-19 2.408728E-19 6.553857E-20 6.788245E-22\nCL2_IUPAC04 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nHOCL_IUPAC04 CS 210.000 5.570117E-20 6.066934E-20 5.958161E-20 5.377945E-20 3.120855E-20 6.545254E-21 1.170137E-23\nHOCL_IUPAC04 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nHOCL_IUPAC04 CS 230.000 5.570117E-20 6.066934E-20 5.958161E-20 5.377945E-20 3.120855E-20 6.545254E-21 1.170137E-23\nHOCL_IUPAC04 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nHOCL_IUPAC04 CS 250.000 5.570117E-20 6.066934E-20 5.958161E-20 5.377945E-20 3.120855E-20 6.545254E-21 1.170137E-23\nHOCL_IUPAC04 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nHOCL_IUPAC04 CS 270.000 5.570117E-20 6.066934E-20 5.958161E-20 5.377945E-20 3.120855E-20 6.545254E-21 1.170137E-23\nHOCL_IUPAC04 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nHOCL_IUPAC04 CS 290.000 5.570117E-20 6.066934E-20 5.958161E-20 5.377945E-20 3.120855E-20 6.545254E-21 1.170137E-23\nHOCL_IUPAC04 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nHOCL_IUPAC04 CS 310.000 5.570117E-20 6.066934E-20 5.958161E-20 5.377945E-20 3.120855E-20 6.545254E-21 1.170137E-23\nHOCL_IUPAC04 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nFMCL_IUPAC04 CS 210.000 5.320050E-21 1.421323E-21 2.242342E-22 8.338288E-23 0.000000E+00 0.000000E+00 0.000000E+00\nFMCL_IUPAC04 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00\nFMCL_IUPAC04 CS 230.000 5.320050E-21 1.421323E-21 2.242342E-22 8.338288E-23 0.000000E+00 0.000000E+00 0.000000E+00\nFMCL_IUPAC04 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00\nFMCL_IUPAC04 CS 250.000 5.320050E-21 1.421323E-21 2.242342E-22 8.338288E-23 0.000000E+00 0.000000E+00 0.000000E+00\nFMCL_IUPAC04 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00\nFMCL_IUPAC04 CS 270.000 5.320050E-21 1.421323E-21 2.242342E-22 8.338288E-23 0.000000E+00 0.000000E+00 0.000000E+00\nFMCL_IUPAC04 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00\nFMCL_IUPAC04 CS 290.000 5.320050E-21 1.421323E-21 2.242342E-22 8.338288E-23 0.000000E+00 0.000000E+00 0.000000E+00\nFMCL_IUPAC04 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00\nFMCL_IUPAC04 CS 310.000 5.320050E-21 1.421323E-21 2.242342E-22 8.338288E-23 0.000000E+00 0.000000E+00 0.000000E+00\nFMCL_IUPAC04 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00\nCLNO2_IUPAC13 CS 210.000 1.630885E-19 1.401581E-19 1.165449E-19 9.197057E-20 4.058577E-20 2.506084E-21 1.666845E-23\nCLNO2_IUPAC13 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nCLNO2_IUPAC13 CS 230.000 1.600463E-19 1.384247E-19 1.162092E-19 9.282048E-20 4.270499E-20 3.014832E-21 1.684379E-23\nCLNO2_IUPAC13 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nCLNO2_IUPAC13 CS 250.000 1.583382E-19 1.376411E-19 1.165927E-19 9.421802E-20 4.513980E-20 3.671099E-21 1.713705E-23\nCLNO2_IUPAC13 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nCLNO2_IUPAC13 CS 270.000 1.579640E-19 1.378072E-19 1.176955E-19 9.616322E-20 4.789021E-20 4.474883E-21 1.754824E-23\nCLNO2_IUPAC13 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nCLNO2_IUPAC13 CS 290.000 1.589238E-19 1.389231E-19 1.195174E-19 9.865609E-20 5.095621E-20 5.426186E-21 1.807737E-23\nCLNO2_IUPAC13 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nCLNO2_IUPAC13 CS 310.000 1.594719E-19 1.394430E-19 1.202042E-19 9.951074E-20 5.193755E-20 5.740343E-21 1.825910E-23\nCLNO2_IUPAC13 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nCLONO2_1 CS 210.000 3.530556E-20 1.872070E-20 1.123545E-20 7.141706E-21 3.111550E-21 9.743237E-22 9.489116E-24\nCLONO2_1 EQY 210.000 4.000000E-01 3.992096E-01 3.837866E-01 3.420477E-01 2.361424E-01 2.718547E-02 0.000000E+00\nCLONO2_1 CS 230.000 3.756278E-20 2.004876E-20 1.210488E-20 7.706714E-21 3.240199E-21 1.038511E-21 9.491610E-24\nCLONO2_1 EQY 230.000 4.000000E-01 3.992096E-01 3.837866E-01 3.420477E-01 2.361424E-01 2.718547E-02 0.000000E+00\nCLONO2_1 CS 250.000 3.999382E-20 2.155965E-20 1.312916E-20 8.405717E-21 3.464433E-21 1.097813E-21 9.504681E-24\nCLONO2_1 EQY 250.000 4.000000E-01 3.992096E-01 3.837866E-01 3.420477E-01 2.361424E-01 2.718547E-02 0.000000E+00\nCLONO2_1 CS 270.000 4.259870E-20 2.325335E-20 1.430828E-20 9.238715E-21 3.784253E-21 1.152229E-21 9.528331E-24\nCLONO2_1 EQY 270.000 4.000000E-01 3.992096E-01 3.837866E-01 3.420477E-01 2.361424E-01 2.718547E-02 0.000000E+00\nCLONO2_1 CS 290.000 4.537742E-20 2.512988E-20 1.564224E-20 1.020571E-20 4.199657E-21 1.201758E-21 9.562558E-24\nCLONO2_1 EQY 290.000 4.000000E-01 3.992096E-01 3.837866E-01 3.420477E-01 2.361424E-01 2.718547E-02 0.000000E+00\nCLONO2_1 CS 310.000 4.832995E-20 2.718922E-20 1.713105E-20 1.130669E-20 4.710647E-21 1.246402E-21 9.607363E-24\nCLONO2_1 EQY 310.000 4.000000E-01 3.992096E-01 3.837866E-01 3.420477E-01 2.361424E-01 2.718547E-02 0.000000E+00\nCLONO2_2 CS 210.000 3.530556E-20 1.872070E-20 1.123545E-20 7.141706E-21 3.111550E-21 9.743237E-22 9.489116E-24\nCLONO2_2 EQY 210.000 6.000000E-01 6.007904E-01 6.162134E-01 6.579523E-01 7.638576E-01 9.728145E-01 1.000000E+00\nCLONO2_2 CS 230.000 3.756278E-20 2.004876E-20 1.210488E-20 7.706714E-21 3.240199E-21 1.038511E-21 9.491610E-24\nCLONO2_2 EQY 230.000 6.000000E-01 6.007904E-01 6.162134E-01 6.579523E-01 7.638576E-01 9.728145E-01 1.000000E+00\nCLONO2_2 CS 250.000 3.999382E-20 2.155965E-20 1.312916E-20 8.405717E-21 3.464433E-21 1.097813E-21 9.504681E-24\nCLONO2_2 EQY 250.000 6.000000E-01 6.007904E-01 6.162134E-01 6.579523E-01 7.638576E-01 9.728145E-01 1.000000E+00\nCLONO2_2 CS 270.000 4.259870E-20 2.325335E-20 1.430828E-20 9.238715E-21 3.784253E-21 1.152229E-21 9.528331E-24\nCLONO2_2 EQY 270.000 6.000000E-01 6.007904E-01 6.162134E-01 6.579523E-01 7.638576E-01 9.728145E-01 1.000000E+00\nCLONO2_2 CS 290.000 4.537742E-20 2.512988E-20 1.564224E-20 1.020571E-20 4.199657E-21 1.201758E-21 9.562558E-24\nCLONO2_2 EQY 290.000 6.000000E-01 6.007904E-01 6.162134E-01 6.579523E-01 7.638576E-01 9.728145E-01 1.000000E+00\nCLONO2_2 CS 310.000 4.832995E-20 2.718922E-20 1.713105E-20 1.130669E-20 4.710647E-21 1.246402E-21 9.607363E-24\nCLONO2_2 EQY 310.000 6.000000E-01 6.007904E-01 6.162134E-01 6.579523E-01 7.638576E-01 9.728145E-01 1.000000E+00\nIC3ONO2 CS 210.000 9.514298E-21 4.530419E-21 2.204171E-21 1.039935E-21 1.393909E-22 0.000000E+00 0.000000E+00\nIC3ONO2 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nIC3ONO2 CS 230.000 9.514298E-21 4.530419E-21 2.204171E-21 1.039935E-21 1.393909E-22 0.000000E+00 0.000000E+00\nIC3ONO2 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nIC3ONO2 CS 250.000 9.980248E-21 4.802258E-21 2.361341E-21 1.133020E-21 1.558919E-22 0.000000E+00 0.000000E+00\nIC3ONO2 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nIC3ONO2 CS 270.000 1.098172E-20 5.395850E-21 2.710103E-21 1.344930E-21 1.949851E-22 0.000000E+00 0.000000E+00\nIC3ONO2 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nIC3ONO2 CS 290.000 1.208369E-20 6.062813E-21 3.110376E-21 1.596473E-21 2.438819E-22 0.000000E+00 0.000000E+00\nIC3ONO2 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nIC3ONO2 CS 310.000 1.329624E-20 6.812218E-21 3.569767E-21 1.895064E-21 3.050405E-22 0.000000E+00 0.000000E+00\nIC3ONO2 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nACRO_09 CS 210.000 1.856128E-20 2.787986E-20 3.602616E-20 4.321518E-20 5.371941E-20 1.543856E-20 0.000000E+00\nACRO_09 EQY 210.000 5.269045E-02 3.293790E-02 2.264026E-02 1.595375E-02 6.767500E-03 1.624741E-03 0.000000E+00\nACRO_09 CS 230.000 1.856128E-20 2.787986E-20 3.602616E-20 4.321518E-20 5.371941E-20 1.543856E-20 0.000000E+00\nACRO_09 EQY 230.000 5.269045E-02 3.293790E-02 2.264026E-02 1.595375E-02 6.767500E-03 1.624741E-03 0.000000E+00\nACRO_09 CS 250.000 1.856128E-20 2.787986E-20 3.602616E-20 4.321518E-20 5.371941E-20 1.543856E-20 0.000000E+00\nACRO_09 EQY 250.000 5.269045E-02 3.293790E-02 2.264026E-02 1.595375E-02 6.767500E-03 1.624741E-03 0.000000E+00\nACRO_09 CS 270.000 1.856128E-20 2.787986E-20 3.602616E-20 4.321518E-20 5.371941E-20 1.543856E-20 0.000000E+00\nACRO_09 EQY 270.000 5.269045E-02 3.293790E-02 2.264026E-02 1.595375E-02 6.767500E-03 1.624741E-03 0.000000E+00\nACRO_09 CS 290.000 1.856128E-20 2.787986E-20 3.602616E-20 4.321518E-20 5.371941E-20 1.543856E-20 0.000000E+00\nACRO_09 EQY 290.000 5.269045E-02 3.293790E-02 2.264026E-02 1.595375E-02 6.767500E-03 1.624741E-03 0.000000E+00\nACRO_09 CS 310.000 1.856128E-20 2.787986E-20 3.602616E-20 4.321518E-20 5.371941E-20 1.543856E-20 0.000000E+00\nACRO_09 EQY 310.000 5.269045E-02 3.293790E-02 2.264026E-02 1.595375E-02 6.767500E-03 1.624741E-03 0.000000E+00\nBR2_IUPAC10 CS 210.000 1.903162E-22 1.146476E-22 1.488999E-22 3.944532E-22 6.862573E-21 3.595826E-19 8.682861E-20\nBR2_IUPAC10 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nBR2_IUPAC10 CS 230.000 1.903162E-22 1.146476E-22 1.488999E-22 3.944532E-22 6.862573E-21 3.595826E-19 8.682861E-20\nBR2_IUPAC10 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nBR2_IUPAC10 CS 250.000 1.903162E-22 1.146476E-22 1.488999E-22 3.944532E-22 6.862573E-21 3.595826E-19 8.682861E-20\nBR2_IUPAC10 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nBR2_IUPAC10 CS 270.000 1.903162E-22 1.146476E-22 1.488999E-22 3.944532E-22 6.862573E-21 3.595826E-19 8.682861E-20\nBR2_IUPAC10 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nBR2_IUPAC10 CS 290.000 1.903162E-22 1.146476E-22 1.488999E-22 3.944532E-22 6.862573E-21 3.595826E-19 8.682861E-20\nBR2_IUPAC10 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nBR2_IUPAC10 CS 310.000 1.903162E-22 1.146476E-22 1.488999E-22 3.944532E-22 6.862573E-21 3.595826E-19 8.682861E-20\nBR2_IUPAC10 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nHOBR_IUPAC10 CS 210.000 2.139690E-19 1.725353E-19 1.369808E-19 1.157725E-19 1.126976E-19 6.209873E-20 2.755955E-21\nHOBR_IUPAC10 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nHOBR_IUPAC10 CS 230.000 2.139690E-19 1.725353E-19 1.369808E-19 1.157725E-19 1.126976E-19 6.209873E-20 2.755955E-21\nHOBR_IUPAC10 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nHOBR_IUPAC10 CS 250.000 2.139690E-19 1.725353E-19 1.369808E-19 1.157725E-19 1.126976E-19 6.209873E-20 2.755955E-21\nHOBR_IUPAC10 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nHOBR_IUPAC10 CS 270.000 2.139690E-19 1.725353E-19 1.369808E-19 1.157725E-19 1.126976E-19 6.209873E-20 2.755955E-21\nHOBR_IUPAC10 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nHOBR_IUPAC10 CS 290.000 2.139690E-19 1.725353E-19 1.369808E-19 1.157725E-19 1.126976E-19 6.209873E-20 2.755955E-21\nHOBR_IUPAC10 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nHOBR_IUPAC10 CS 310.000 2.139690E-19 1.725353E-19 1.369808E-19 1.157725E-19 1.126976E-19 6.209873E-20 2.755955E-21\nHOBR_IUPAC10 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nBRO_IUPAC10 CS 210.000 0.000000E+00 1.520704E-18 3.755615E-18 4.380887E-18 6.081778E-18 6.102367E-19 0.000000E+00\nBRO_IUPAC10 EQY 210.000 0.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nBRO_IUPAC10 CS 230.000 0.000000E+00 1.520704E-18 3.755615E-18 4.380887E-18 6.081778E-18 6.102367E-19 0.000000E+00\nBRO_IUPAC10 EQY 230.000 0.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nBRO_IUPAC10 CS 250.000 0.000000E+00 1.520704E-18 3.755615E-18 4.380887E-18 6.081778E-18 6.102367E-19 0.000000E+00\nBRO_IUPAC10 EQY 250.000 0.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nBRO_IUPAC10 CS 270.000 0.000000E+00 1.520704E-18 3.755615E-18 4.380887E-18 6.081778E-18 6.102367E-19 0.000000E+00\nBRO_IUPAC10 EQY 270.000 0.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nBRO_IUPAC10 CS 290.000 0.000000E+00 1.520704E-18 3.755615E-18 4.380887E-18 6.081778E-18 6.102367E-19 0.000000E+00\nBRO_IUPAC10 EQY 290.000 0.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nBRO_IUPAC10 CS 310.000 0.000000E+00 1.520704E-18 3.755615E-18 4.380887E-18 6.081778E-18 6.102367E-19 0.000000E+00\nBRO_IUPAC10 EQY 310.000 0.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nBRNO2_IUPAC10 CS 210.000 3.168737E-19 1.703734E-19 1.151504E-19 1.063179E-19 1.368589E-19 1.577582E-19 6.037620E-21\nBRNO2_IUPAC10 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nBRNO2_IUPAC10 CS 230.000 3.168737E-19 1.703734E-19 1.151504E-19 1.063179E-19 1.368589E-19 1.577582E-19 6.037620E-21\nBRNO2_IUPAC10 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nBRNO2_IUPAC10 CS 250.000 3.168737E-19 1.703734E-19 1.151504E-19 1.063179E-19 1.368589E-19 1.577582E-19 6.037620E-21\nBRNO2_IUPAC10 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nBRNO2_IUPAC10 CS 270.000 3.168737E-19 1.703734E-19 1.151504E-19 1.063179E-19 1.368589E-19 1.577582E-19 6.037620E-21\nBRNO2_IUPAC10 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nBRNO2_IUPAC10 CS 290.000 3.168737E-19 1.703734E-19 1.151504E-19 1.063179E-19 1.368589E-19 1.577582E-19 6.037620E-21\nBRNO2_IUPAC10 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nBRNO2_IUPAC10 CS 310.000 3.168737E-19 1.703734E-19 1.151504E-19 1.063179E-19 1.368589E-19 1.577582E-19 6.037620E-21\nBRNO2_IUPAC10 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nBRONO2_M_IUPAC10 CS 210.000 2.101862E-19 1.727726E-19 1.452083E-19 1.232743E-19 9.009326E-20 3.843551E-20 1.444378E-21\nBRONO2_M_IUPAC10 EQY 210.000 7.100000E-01 7.100000E-01 7.100000E-01 7.100000E-01 7.100000E-01 7.100000E-01 7.100000E-01\nBRONO2_M_IUPAC10 CS 230.000 2.101862E-19 1.727726E-19 1.452083E-19 1.232743E-19 9.009326E-20 3.843551E-20 1.444378E-21\nBRONO2_M_IUPAC10 EQY 230.000 7.100000E-01 7.100000E-01 7.100000E-01 7.100000E-01 7.100000E-01 7.100000E-01 7.100000E-01\nBRONO2_M_IUPAC10 CS 250.000 2.101862E-19 1.727726E-19 1.452083E-19 1.232743E-19 9.009326E-20 3.843551E-20 1.444378E-21\nBRONO2_M_IUPAC10 EQY 250.000 7.100000E-01 7.100000E-01 7.100000E-01 7.100000E-01 7.100000E-01 7.100000E-01 7.100000E-01\nBRONO2_M_IUPAC10 CS 270.000 2.101862E-19 1.727726E-19 1.452083E-19 1.232743E-19 9.009326E-20 3.843551E-20 1.444378E-21\nBRONO2_M_IUPAC10 EQY 270.000 7.100000E-01 7.100000E-01 7.100000E-01 7.100000E-01 7.100000E-01 7.100000E-01 7.100000E-01\nBRONO2_M_IUPAC10 CS 290.000 2.101862E-19 1.727726E-19 1.452083E-19 1.232743E-19 9.009326E-20 3.843551E-20 1.444378E-21\nBRONO2_M_IUPAC10 EQY 290.000 7.100000E-01 7.100000E-01 7.100000E-01 7.100000E-01 7.100000E-01 7.100000E-01 7.100000E-01\nBRONO2_M_IUPAC10 CS 310.000 2.101862E-19 1.727726E-19 1.452083E-19 1.232743E-19 9.009326E-20 3.843551E-20 1.444378E-21\nBRONO2_M_IUPAC10 EQY 310.000 7.100000E-01 7.100000E-01 7.100000E-01 7.100000E-01 7.100000E-01 7.100000E-01 7.100000E-01\nBRONO2_R_IUPAC10 CS 210.000 2.101862E-19 1.727726E-19 1.452083E-19 1.232743E-19 9.009326E-20 3.843551E-20 1.444378E-21\nBRONO2_R_IUPAC10 EQY 210.000 2.900000E-01 2.900000E-01 2.900000E-01 2.900000E-01 2.900000E-01 2.900000E-01 2.900000E-01\nBRONO2_R_IUPAC10 CS 230.000 2.101862E-19 1.727726E-19 1.452083E-19 1.232743E-19 9.009326E-20 3.843551E-20 1.444378E-21\nBRONO2_R_IUPAC10 EQY 230.000 2.900000E-01 2.900000E-01 2.900000E-01 2.900000E-01 2.900000E-01 2.900000E-01 2.900000E-01\nBRONO2_R_IUPAC10 CS 250.000 2.101862E-19 1.727726E-19 1.452083E-19 1.232743E-19 9.009326E-20 3.843551E-20 1.444378E-21\nBRONO2_R_IUPAC10 EQY 250.000 2.900000E-01 2.900000E-01 2.900000E-01 2.900000E-01 2.900000E-01 2.900000E-01 2.900000E-01\nBRONO2_R_IUPAC10 CS 270.000 2.101862E-19 1.727726E-19 1.452083E-19 1.232743E-19 9.009326E-20 3.843551E-20 1.444378E-21\nBRONO2_R_IUPAC10 EQY 270.000 2.900000E-01 2.900000E-01 2.900000E-01 2.900000E-01 2.900000E-01 2.900000E-01 2.900000E-01\nBRONO2_R_IUPAC10 CS 290.000 2.101862E-19 1.727726E-19 1.452083E-19 1.232743E-19 9.009326E-20 3.843551E-20 1.444378E-21\nBRONO2_R_IUPAC10 EQY 290.000 2.900000E-01 2.900000E-01 2.900000E-01 2.900000E-01 2.900000E-01 2.900000E-01 2.900000E-01\nBRONO2_R_IUPAC10 CS 310.000 2.101862E-19 1.727726E-19 1.452083E-19 1.232743E-19 9.009326E-20 3.843551E-20 1.444378E-21\nBRONO2_R_IUPAC10 EQY 310.000 2.900000E-01 2.900000E-01 2.900000E-01 2.900000E-01 2.900000E-01 2.900000E-01 2.900000E-01\nBRCL_IUPAC10 CS 210.000 4.682875E-21 8.722435E-21 1.617152E-20 3.163336E-20 1.228206E-19 3.199842E-19 2.043871E-20\nBRCL_IUPAC10 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nBRCL_IUPAC10 CS 230.000 4.682875E-21 8.722435E-21 1.617152E-20 3.163336E-20 1.228206E-19 3.199842E-19 2.043871E-20\nBRCL_IUPAC10 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nBRCL_IUPAC10 CS 250.000 4.682875E-21 8.722435E-21 1.617152E-20 3.163336E-20 1.228206E-19 3.199842E-19 2.043871E-20\nBRCL_IUPAC10 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nBRCL_IUPAC10 CS 270.000 4.682875E-21 8.722435E-21 1.617152E-20 3.163336E-20 1.228206E-19 3.199842E-19 2.043871E-20\nBRCL_IUPAC10 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nBRCL_IUPAC10 CS 290.000 4.682875E-21 8.722435E-21 1.617152E-20 3.163336E-20 1.228206E-19 3.199842E-19 2.043871E-20\nBRCL_IUPAC10 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nBRCL_IUPAC10 CS 310.000 4.682875E-21 8.722435E-21 1.617152E-20 3.163336E-20 1.228206E-19 3.199842E-19 2.043871E-20\nBRCL_IUPAC10 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nCOHBR_JPL2010 CS 210.000 1.021708E-19 4.139140E-20 1.707018E-20 7.518262E-21 4.649972E-22 0.000000E+00 0.000000E+00\nCOHBR_JPL2010 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nCOHBR_JPL2010 CS 230.000 1.021708E-19 4.139140E-20 1.707018E-20 7.518262E-21 4.649972E-22 0.000000E+00 0.000000E+00\nCOHBR_JPL2010 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nCOHBR_JPL2010 CS 250.000 1.021708E-19 4.139140E-20 1.707018E-20 7.518262E-21 4.649972E-22 0.000000E+00 0.000000E+00\nCOHBR_JPL2010 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nCOHBR_JPL2010 CS 270.000 1.021708E-19 4.139140E-20 1.707018E-20 7.518262E-21 4.649972E-22 0.000000E+00 0.000000E+00\nCOHBR_JPL2010 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nCOHBR_JPL2010 CS 290.000 1.021708E-19 4.139140E-20 1.707018E-20 7.518262E-21 4.649972E-22 0.000000E+00 0.000000E+00\nCOHBR_JPL2010 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nCOHBR_JPL2010 CS 310.000 1.021708E-19 4.139140E-20 1.707018E-20 7.518262E-21 4.649972E-22 0.000000E+00 0.000000E+00\nCOHBR_JPL2010 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nMB3_IUPAC10 CS 210.000 1.625868E-20 4.862740E-21 1.746326E-21 7.069317E-22 8.551163E-23 0.000000E+00 0.000000E+00\nMB3_IUPAC10 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nMB3_IUPAC10 CS 230.000 1.625868E-20 4.862740E-21 1.746326E-21 7.069317E-22 8.551163E-23 0.000000E+00 0.000000E+00\nMB3_IUPAC10 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nMB3_IUPAC10 CS 250.000 1.625868E-20 4.862740E-21 1.746326E-21 7.069317E-22 8.551163E-23 0.000000E+00 0.000000E+00\nMB3_IUPAC10 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nMB3_IUPAC10 CS 270.000 1.625868E-20 4.862740E-21 1.746326E-21 7.069317E-22 8.551163E-23 0.000000E+00 0.000000E+00\nMB3_IUPAC10 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nMB3_IUPAC10 CS 290.000 1.625868E-20 4.862740E-21 1.746326E-21 7.069317E-22 8.551163E-23 0.000000E+00 0.000000E+00\nMB3_IUPAC10 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nMB3_IUPAC10 CS 310.000 1.625868E-20 4.862740E-21 1.746326E-21 7.069317E-22 8.551163E-23 0.000000E+00 0.000000E+00\nMB3_IUPAC10 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nMB2C_BLIDE98 CS 210.000 6.776396E-21 2.161088E-21 4.670897E-22 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00\nMB2C_BLIDE98 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00\nMB2C_BLIDE98 CS 230.000 6.776396E-21 2.161088E-21 4.670897E-22 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00\nMB2C_BLIDE98 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00\nMB2C_BLIDE98 CS 250.000 6.776396E-21 2.161088E-21 4.670897E-22 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00\nMB2C_BLIDE98 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00\nMB2C_BLIDE98 CS 270.000 6.776396E-21 2.161088E-21 4.670897E-22 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00\nMB2C_BLIDE98 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00\nMB2C_BLIDE98 CS 290.000 6.776396E-21 2.161088E-21 4.670897E-22 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00\nMB2C_BLIDE98 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00\nMB2C_BLIDE98 CS 310.000 6.776396E-21 2.161088E-21 4.670897E-22 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00\nMB2C_BLIDE98 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00\nMBC2_BLIDE98 CS 210.000 3.118455E-21 1.169366E-21 6.493162E-22 3.280297E-22 0.000000E+00 0.000000E+00 0.000000E+00\nMBC2_BLIDE98 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00\nMBC2_BLIDE98 CS 230.000 3.118455E-21 1.169366E-21 6.493162E-22 3.280297E-22 0.000000E+00 0.000000E+00 0.000000E+00\nMBC2_BLIDE98 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00\nMBC2_BLIDE98 CS 250.000 3.118455E-21 1.169366E-21 6.493162E-22 3.280297E-22 0.000000E+00 0.000000E+00 0.000000E+00\nMBC2_BLIDE98 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00\nMBC2_BLIDE98 CS 270.000 3.118455E-21 1.169366E-21 6.493162E-22 3.280297E-22 0.000000E+00 0.000000E+00 0.000000E+00\nMBC2_BLIDE98 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00\nMBC2_BLIDE98 CS 290.000 3.118455E-21 1.169366E-21 6.493162E-22 3.280297E-22 0.000000E+00 0.000000E+00 0.000000E+00\nMBC2_BLIDE98 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00\nMBC2_BLIDE98 CS 310.000 3.118455E-21 1.169366E-21 6.493162E-22 3.280297E-22 0.000000E+00 0.000000E+00 0.000000E+00\nMBC2_BLIDE98 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00\nI2_IUPAC10 CS 210.000 3.313148E-19 2.464001E-19 1.834931E-19 1.426881E-19 7.183280E-20 2.110795E-20 6.544204E-19\nI2_IUPAC10 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nI2_IUPAC10 CS 230.000 3.313148E-19 2.464001E-19 1.834931E-19 1.426881E-19 7.183280E-20 2.110795E-20 6.544204E-19\nI2_IUPAC10 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nI2_IUPAC10 CS 250.000 3.313148E-19 2.464001E-19 1.834931E-19 1.426881E-19 7.183280E-20 2.110795E-20 6.544204E-19\nI2_IUPAC10 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nI2_IUPAC10 CS 270.000 3.313148E-19 2.464001E-19 1.834931E-19 1.426881E-19 7.183280E-20 2.110795E-20 6.544204E-19\nI2_IUPAC10 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nI2_IUPAC10 CS 290.000 3.313148E-19 2.464001E-19 1.834931E-19 1.426881E-19 7.183280E-20 2.110795E-20 6.544204E-19\nI2_IUPAC10 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nI2_IUPAC10 CS 310.000 3.313148E-19 2.464001E-19 1.834931E-19 1.426881E-19 7.183280E-20 2.110795E-20 6.544204E-19\nI2_IUPAC10 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nHOI_IUPAC10 CS 210.000 1.411445E-20 4.601361E-20 9.453306E-20 1.637880E-19 3.361345E-19 2.783061E-19 1.366458E-20\nHOI_IUPAC10 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nHOI_IUPAC10 CS 230.000 1.411445E-20 4.601361E-20 9.453306E-20 1.637880E-19 3.361345E-19 2.783061E-19 1.366458E-20\nHOI_IUPAC10 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nHOI_IUPAC10 CS 250.000 1.411445E-20 4.601361E-20 9.453306E-20 1.637880E-19 3.361345E-19 2.783061E-19 1.366458E-20\nHOI_IUPAC10 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nHOI_IUPAC10 CS 270.000 1.411445E-20 4.601361E-20 9.453306E-20 1.637880E-19 3.361345E-19 2.783061E-19 1.366458E-20\nHOI_IUPAC10 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nHOI_IUPAC10 CS 290.000 1.411445E-20 4.601361E-20 9.453306E-20 1.637880E-19 3.361345E-19 2.783061E-19 1.366458E-20\nHOI_IUPAC10 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nHOI_IUPAC10 CS 310.000 1.411445E-20 4.601361E-20 9.453306E-20 1.637880E-19 3.361345E-19 2.783061E-19 1.366458E-20\nHOI_IUPAC10 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nIO_IUPAC10 CS 210.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.564031E-18 3.896229E-19\nIO_IUPAC10 EQY 210.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00 1.000000E+00\nIO_IUPAC10 CS 230.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.564031E-18 3.896229E-19\nIO_IUPAC10 EQY 230.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00 1.000000E+00\nIO_IUPAC10 CS 250.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.564031E-18 3.896229E-19\nIO_IUPAC10 EQY 250.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00 1.000000E+00\nIO_IUPAC10 CS 270.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.564031E-18 3.896229E-19\nIO_IUPAC10 EQY 270.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00 1.000000E+00\nIO_IUPAC10 CS 290.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.564031E-18 3.896229E-19\nIO_IUPAC10 EQY 290.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00 1.000000E+00\nIO_IUPAC10 CS 310.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.564031E-18 3.896229E-19\nIO_IUPAC10 EQY 310.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00 1.000000E+00\nOIO_06 CS 210.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 8.188757E-19\nOIO_06 EQY 210.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00\nOIO_06 CS 230.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 8.188757E-19\nOIO_06 EQY 230.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00\nOIO_06 CS 250.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 8.188757E-19\nOIO_06 EQY 250.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00\nOIO_06 CS 270.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 8.188757E-19\nOIO_06 EQY 270.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00\nOIO_06 CS 290.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 8.188757E-19\nOIO_06 EQY 290.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00\nOIO_06 CS 310.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 8.188757E-19\nOIO_06 EQY 310.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00\nINO_06 CS 210.000 1.432511E-18 7.642592E-19 4.433596E-19 4.151605E-19 4.285753E-19 7.389162E-19 7.098315E-20\nINO_06 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nINO_06 CS 230.000 1.432511E-18 7.642592E-19 4.433596E-19 4.151605E-19 4.285753E-19 7.389162E-19 7.098315E-20\nINO_06 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nINO_06 CS 250.000 1.432511E-18 7.642592E-19 4.433596E-19 4.151605E-19 4.285753E-19 7.389162E-19 7.098315E-20\nINO_06 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nINO_06 CS 270.000 1.432511E-18 7.642592E-19 4.433596E-19 4.151605E-19 4.285753E-19 7.389162E-19 7.098315E-20\nINO_06 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nINO_06 CS 290.000 1.432511E-18 7.642592E-19 4.433596E-19 4.151605E-19 4.285753E-19 7.389162E-19 7.098315E-20\nINO_06 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nINO_06 CS 310.000 1.432511E-18 7.642592E-19 4.433596E-19 4.151605E-19 4.285753E-19 7.389162E-19 7.098315E-20\nINO_06 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nINO2_06 CS 210.000 6.267140E-19 3.370751E-19 2.553803E-19 2.596610E-19 3.392447E-19 8.969386E-20 0.000000E+00\nINO2_06 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nINO2_06 CS 230.000 6.267140E-19 3.370751E-19 2.553803E-19 2.596610E-19 3.392447E-19 8.969386E-20 0.000000E+00\nINO2_06 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nINO2_06 CS 250.000 6.267140E-19 3.370751E-19 2.553803E-19 2.596610E-19 3.392447E-19 8.969386E-20 0.000000E+00\nINO2_06 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nINO2_06 CS 270.000 6.267140E-19 3.370751E-19 2.553803E-19 2.596610E-19 3.392447E-19 8.969386E-20 0.000000E+00\nINO2_06 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nINO2_06 CS 290.000 6.267140E-19 3.370751E-19 2.553803E-19 2.596610E-19 3.392447E-19 8.969386E-20 0.000000E+00\nINO2_06 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nINO2_06 CS 310.000 6.267140E-19 3.370751E-19 2.553803E-19 2.596610E-19 3.392447E-19 8.969386E-20 0.000000E+00\nINO2_06 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nIONO2_06 CS 210.000 5.815553E-18 5.063538E-18 4.634877E-18 4.289858E-18 3.755398E-18 1.715507E-18 1.935343E-21\nIONO2_06 EQY 210.000 2.100000E-01 2.100000E-01 2.100000E-01 2.100000E-01 2.100000E-01 2.100000E-01 2.100000E-01\nIONO2_06 CS 230.000 5.815553E-18 5.063538E-18 4.634877E-18 4.289858E-18 3.755398E-18 1.715507E-18 1.935343E-21\nIONO2_06 EQY 230.000 2.100000E-01 2.100000E-01 2.100000E-01 2.100000E-01 2.100000E-01 2.100000E-01 2.100000E-01\nIONO2_06 CS 250.000 5.815553E-18 5.063538E-18 4.634877E-18 4.289858E-18 3.755398E-18 1.715507E-18 1.935343E-21\nIONO2_06 EQY 250.000 2.100000E-01 2.100000E-01 2.100000E-01 2.100000E-01 2.100000E-01 2.100000E-01 2.100000E-01\nIONO2_06 CS 270.000 5.815553E-18 5.063538E-18 4.634877E-18 4.289858E-18 3.755398E-18 1.715507E-18 1.935343E-21\nIONO2_06 EQY 270.000 2.100000E-01 2.100000E-01 2.100000E-01 2.100000E-01 2.100000E-01 2.100000E-01 2.100000E-01\nIONO2_06 CS 290.000 5.815553E-18 5.063538E-18 4.634877E-18 4.289858E-18 3.755398E-18 1.715507E-18 1.935343E-21\nIONO2_06 EQY 290.000 2.100000E-01 2.100000E-01 2.100000E-01 2.100000E-01 2.100000E-01 2.100000E-01 2.100000E-01\nIONO2_06 CS 310.000 5.815553E-18 5.063538E-18 4.634877E-18 4.289858E-18 3.755398E-18 1.715507E-18 1.935343E-21\nIONO2_06 EQY 310.000 2.100000E-01 2.100000E-01 2.100000E-01 2.100000E-01 2.100000E-01 2.100000E-01 2.100000E-01\nICL_IUPAC10 CS 210.000 7.876486E-20 5.632666E-20 4.647792E-20 4.216053E-20 3.551420E-20 1.240425E-19 8.889141E-20\nICL_IUPAC10 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nICL_IUPAC10 CS 230.000 7.876486E-20 5.632666E-20 4.647792E-20 4.216053E-20 3.551420E-20 1.240425E-19 8.889141E-20\nICL_IUPAC10 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nICL_IUPAC10 CS 250.000 7.876486E-20 5.632666E-20 4.647792E-20 4.216053E-20 3.551420E-20 1.240425E-19 8.889141E-20\nICL_IUPAC10 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nICL_IUPAC10 CS 270.000 7.876486E-20 5.632666E-20 4.647792E-20 4.216053E-20 3.551420E-20 1.240425E-19 8.889141E-20\nICL_IUPAC10 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nICL_IUPAC10 CS 290.000 7.876486E-20 5.632666E-20 4.647792E-20 4.216053E-20 3.551420E-20 1.240425E-19 8.889141E-20\nICL_IUPAC10 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nICL_IUPAC10 CS 310.000 7.876486E-20 5.632666E-20 4.647792E-20 4.216053E-20 3.551420E-20 1.240425E-19 8.889141E-20\nICL_IUPAC10 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nIBR_IUPAC10 CS 210.000 1.479834E-19 1.100719E-19 8.070108E-20 6.299054E-20 3.124231E-20 8.015162E-20 2.887729E-19\nIBR_IUPAC10 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nIBR_IUPAC10 CS 230.000 1.479834E-19 1.100719E-19 8.070108E-20 6.299054E-20 3.124231E-20 8.015162E-20 2.887729E-19\nIBR_IUPAC10 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nIBR_IUPAC10 CS 250.000 1.479834E-19 1.100719E-19 8.070108E-20 6.299054E-20 3.124231E-20 8.015162E-20 2.887729E-19\nIBR_IUPAC10 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nIBR_IUPAC10 CS 270.000 1.479834E-19 1.100719E-19 8.070108E-20 6.299054E-20 3.124231E-20 8.015162E-20 2.887729E-19\nIBR_IUPAC10 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nIBR_IUPAC10 CS 290.000 1.479834E-19 1.100719E-19 8.070108E-20 6.299054E-20 3.124231E-20 8.015162E-20 2.887729E-19\nIBR_IUPAC10 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nIBR_IUPAC10 CS 310.000 1.479834E-19 1.100719E-19 8.070108E-20 6.299054E-20 3.124231E-20 8.015162E-20 2.887729E-19\nIBR_IUPAC10 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nCH3I_IUPAC10 CS 210.000 4.513597E-20 1.493555E-20 6.450626E-21 3.252768E-21 6.570483E-22 9.573097E-24 0.000000E+00\nCH3I_IUPAC10 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCH3I_IUPAC10 CS 230.000 4.513597E-20 1.493555E-20 6.450626E-21 3.252768E-21 6.570483E-22 9.573097E-24 0.000000E+00\nCH3I_IUPAC10 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCH3I_IUPAC10 CS 250.000 4.513597E-20 1.493555E-20 6.450626E-21 3.252768E-21 6.570483E-22 9.573097E-24 0.000000E+00\nCH3I_IUPAC10 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCH3I_IUPAC10 CS 270.000 4.513597E-20 1.493555E-20 6.450626E-21 3.252768E-21 6.570483E-22 9.573097E-24 0.000000E+00\nCH3I_IUPAC10 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCH3I_IUPAC10 CS 290.000 4.513597E-20 1.493555E-20 6.450626E-21 3.252768E-21 6.570483E-22 9.573097E-24 0.000000E+00\nCH3I_IUPAC10 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCH3I_IUPAC10 CS 310.000 4.513597E-20 1.493555E-20 6.450626E-21 3.252768E-21 6.570483E-22 9.573097E-24 0.000000E+00\nCH3I_IUPAC10 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nMI2_IUPAC10 CS 210.000 3.718381E-18 3.444709E-18 3.126194E-18 2.693818E-18 1.374565E-18 5.902298E-20 0.000000E+00\nMI2_IUPAC10 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nMI2_IUPAC10 CS 230.000 3.718381E-18 3.444709E-18 3.126194E-18 2.693818E-18 1.374565E-18 5.902298E-20 0.000000E+00\nMI2_IUPAC10 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nMI2_IUPAC10 CS 250.000 3.718381E-18 3.444709E-18 3.126194E-18 2.693818E-18 1.374565E-18 5.902298E-20 0.000000E+00\nMI2_IUPAC10 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nMI2_IUPAC10 CS 270.000 3.718381E-18 3.444709E-18 3.126194E-18 2.693818E-18 1.374565E-18 5.902298E-20 0.000000E+00\nMI2_IUPAC10 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nMI2_IUPAC10 CS 290.000 3.718381E-18 3.444709E-18 3.126194E-18 2.693818E-18 1.374565E-18 5.902298E-20 0.000000E+00\nMI2_IUPAC10 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nMI2_IUPAC10 CS 310.000 3.718381E-18 3.444709E-18 3.126194E-18 2.693818E-18 1.374565E-18 5.902298E-20 0.000000E+00\nMI2_IUPAC10 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nMIB_IUPAC10 CS 210.000 8.548617E-19 4.993029E-19 3.178933E-19 2.143944E-19 7.134427E-20 2.624053E-21 0.000000E+00\nMIB_IUPAC10 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nMIB_IUPAC10 CS 230.000 8.548617E-19 4.993029E-19 3.178933E-19 2.143944E-19 7.134427E-20 2.624053E-21 0.000000E+00\nMIB_IUPAC10 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nMIB_IUPAC10 CS 250.000 8.548617E-19 4.993029E-19 3.178933E-19 2.143944E-19 7.134427E-20 2.624053E-21 0.000000E+00\nMIB_IUPAC10 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nMIB_IUPAC10 CS 270.000 8.548617E-19 4.993029E-19 3.178933E-19 2.143944E-19 7.134427E-20 2.624053E-21 0.000000E+00\nMIB_IUPAC10 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nMIB_IUPAC10 CS 290.000 8.548617E-19 4.993029E-19 3.178933E-19 2.143944E-19 7.134427E-20 2.624053E-21 0.000000E+00\nMIB_IUPAC10 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nMIB_IUPAC10 CS 310.000 8.548617E-19 4.993029E-19 3.178933E-19 2.143944E-19 7.134427E-20 2.624053E-21 0.000000E+00\nMIB_IUPAC10 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nMIC_IUPAC10 CS 210.000 4.188511E-19 2.043662E-19 1.115502E-19 6.587160E-20 1.929429E-20 6.854085E-22 0.000000E+00\nMIC_IUPAC10 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nMIC_IUPAC10 CS 230.000 4.188511E-19 2.043662E-19 1.115502E-19 6.587160E-20 1.929429E-20 6.854085E-22 0.000000E+00\nMIC_IUPAC10 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nMIC_IUPAC10 CS 250.000 4.188511E-19 2.043662E-19 1.115502E-19 6.587160E-20 1.929429E-20 6.854085E-22 0.000000E+00\nMIC_IUPAC10 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nMIC_IUPAC10 CS 270.000 4.188511E-19 2.043662E-19 1.115502E-19 6.587160E-20 1.929429E-20 6.854085E-22 0.000000E+00\nMIC_IUPAC10 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nMIC_IUPAC10 CS 290.000 4.188511E-19 2.043662E-19 1.115502E-19 6.587160E-20 1.929429E-20 6.854085E-22 0.000000E+00\nMIC_IUPAC10 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nMIC_IUPAC10 CS 310.000 4.188511E-19 2.043662E-19 1.115502E-19 6.587160E-20 1.929429E-20 6.854085E-22 0.000000E+00\nMIC_IUPAC10 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\n! Ozone Cross-Section for Stratospheric Opacity based on Table 4-5 in\n! Chemical Kinetics and Photochemical Data for Use in Atmospheric\n! Studies Evaluation Number 15. Sander et. al: NASA-JPL 2006 \nNTEMP_STRAT = 6\n! QUANTITY TEMP WBIN( 1) WBIN( 2) WBIN( 3) WBIN( 4) WBIN( 5) WBIN( 6) WBIN( 7)\nO3_STRAT CS 180.000 6.113743E-19 2.263004E-19 8.354117E-20 3.417408E-20 3.688351E-21 4.086261E-23 1.663175E-21\nO3_STRAT CS 260.000 6.434133E-19 2.434104E-19 9.254548E-20 3.928807E-20 4.583227E-21 4.086261E-23 1.663175E-21\nO3_STRAT CS 300.000 6.685868E-19 2.568540E-19 9.962031E-20 4.330621E-20 5.286344E-21 4.086261E-23 1.663175E-21\nO3_STRAT CS 340.000 6.685868E-19 2.568540E-19 9.962031E-20 4.330621E-20 5.286344E-21 4.086261E-23 1.663175E-21\nO3_STRAT CS 380.000 6.685868E-19 2.568540E-19 9.962031E-20 4.330621E-20 5.286344E-21 4.086261E-23 1.663175E-21\nO3_STRAT CS 420.000 6.685868E-19 2.568540E-19 9.962031E-20 4.330621E-20 5.286344E-21 4.086261E-23 1.663175E-21\n" }, { "path": "CCTM/src/MECHS/cb6r5m_ae7_aq/GC_cb6r5m_ae7_aq.nml", "content": "&GC_nml\n\nGC_SPECIES_DATA = \n\n!SPECIES ,MOLWT ,IC ,IC_FAC ,BC ,BC_FAC ,DRYDEP SURR ,FAC ,WET-SCAV SURR ,FAC ,GC2AE SURR ,GC2AQ SURR,TRNS ,DDEP ,WDEP ,CONC\n'NO2' , 46.0 ,'' ,-1 ,'' ,-1 ,'VD_NO2' , 1 ,'NO2' , 1 ,'NO2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'NO' , 30.0 ,'' ,-1 ,'' ,-1 ,'VD_NO' , 1 ,'NO' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'O' , 16.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'O3' , 48.0 ,'' ,-1 ,'' ,-1 ,'VD_O3' , 1 ,'O3' , 1 ,'' ,'O3' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'NO3' , 62.0 ,'' ,-1 ,'' ,-1 ,'VD_NO3' , 1 ,'NO3' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'O1D' , 16.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'OH' , 17.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'OH' ,'HO' ,'' ,'' ,'' ,'Yes',\n'HO2' , 33.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'H2O2' , 34.0 ,'' ,-1 ,'' ,-1 ,'VD_H2O2' , 1 ,'H2O2' , 1 ,'' ,'H2O2' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'N2O5' ,108.0 ,'' ,-1 ,'' ,-1 ,'VD_N2O5' , 1 ,'N2O5' , 1 ,'N2O5' ,'N2O5' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'HNO3' , 63.0 ,'' ,-1 ,'' ,-1 ,'VD_HNO3' , 1 ,'HNO3' , 1 ,'HNO3' ,'HNO3' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'HONO' , 47.0 ,'' ,-1 ,'' ,-1 ,'VD_HONO' , 1 ,'HNO2' , 1 ,'HONO' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'PNA' , 79.0 ,'' ,-1 ,'' ,-1 ,'VD_PNA' , 1 ,'HNO4' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SO2' , 64.0 ,'' ,-1 ,'' ,-1 ,'VD_SO2' , 1 ,'SO2' , 1 ,'' ,'SO2' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SULF' , 98.0 ,'' ,-1 ,'' ,-1 ,'VD_SULF' , 1 ,'H2SO4' , 1 ,'SULF' ,'H2SO4' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SULRXN' , 98.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'SULPRD' ,'' ,'' ,'' ,'' ,'' ,\n'C2O3' , 75.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'MEO2' , 47.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'RO2' , 87.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'PAN' ,121.0 ,'' ,-1 ,'' ,-1 ,'VD_PAN' , 1 ,'PAN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'PACD' , 76.0 ,'' ,-1 ,'' ,-1 ,'VD_PAA' , 1 ,'PEROXYACETIC_ACI', 1 ,'' ,'PAA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AACD' , 60.0 ,'' ,-1 ,'' ,-1 ,'VD_ORA' , 1 ,'ACETIC_ACID' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'CXO3' , 89.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'ALD2' , 44.0 ,'' ,-1 ,'' ,-1 ,'VD_ALD' , 1 ,'ACETALDEHYDE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'XO2H' , 87.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'PANX' ,135.0 ,'' ,-1 ,'' ,-1 ,'VD_PPN' , 1 ,'PPN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'FORM' , 30.0 ,'' ,-1 ,'' ,-1 ,'VD_HCHO' , 1 ,'FORMALDEHYDE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'MEPX' , 48.0 ,'' ,-1 ,'' ,-1 ,'VD_OP' , 1 ,'METHYLHYDROPEROX', 1 ,'' ,'MHP' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'MEOH' , 32.0 ,'' ,-1 ,'' ,-1 ,'VD_METHANOL' , 1 ,'METHANOL' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ROOH' , 90.1 ,'' ,-1 ,'' ,-1 ,'VD_ROOH' , 1 ,'METHYLHYDROPEROX', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'XO2' , 87.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'XO2N' , 87.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'XPAR' , 45.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'XPRP' , 89.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'NTR1' ,119.1 ,'' ,-1 ,'' ,-1 ,'VD_NTRALK' , 1 ,'NTR_ALK' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'NTR2' ,135.1 ,'' ,-1 ,'' ,-1 ,'VD_NTROH' , 1 ,'NTR_OH' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'FACD' , 46.0 ,'' ,-1 ,'' ,-1 ,'VD_FACD' , 1 ,'FORMIC_ACID' , 1 ,'' ,'FOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'CO' , 28.0 ,'' ,-1 ,'' ,-1 ,'VD_CO' , 1 ,'CO' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'HCO3' , 63.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'ALDX' , 58.1 ,'' ,-1 ,'' ,-1 ,'VD_GEN_ALD' , 1 ,'GENERIC_ALDEHYDE', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'GLYD' , 60.0 ,'' ,-1 ,'' ,-1 ,'VD_GLYD' , 1 ,'GLYOXAL' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'GLY' , 58.0 ,'' ,-1 ,'' ,-1 ,'VD_GLY' , 1 ,'GLYOXAL' , 1 ,'' ,'GLY' ,'Yes' ,'Yes' ,'' ,'Yes',\n'MGLY' , 72.0 ,'' ,-1 ,'' ,-1 ,'VD_MGLY' , 1 ,'METHYL_GLYOXAL' , 1 ,'' ,'MGLY' ,'Yes' ,'Yes' ,'' ,'Yes',\n'ETHA' , 30.1 ,'' ,-1 ,'' ,-1 ,'VD_ETHA' , 1 ,'ETHANE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'ETOH' , 46.1 ,'' ,-1 ,'' ,-1 ,'VD_ETOH' , 1 ,'ETHANOL' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'KET' , 72.1 ,'' ,-1 ,'' ,-1 ,'VD_KET' , 1 ,'MEK' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'PAR' , 14.0 ,'' ,-1 ,'' ,-1 ,'VD_PAR' , 1 ,'ETHANE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'ACET' , 58.1 ,'' ,-1 ,'' ,-1 ,'VD_ACET' , 1 ,'ACETONE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'PRPA' , 44.1 ,'' ,-1 ,'' ,-1 ,'VD_PRPA' , 1 ,'PROPANE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'ROR' , 29.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'ETHY' , 26.0 ,'' ,-1 ,'' ,-1 ,'VD_ETHY' , 1 ,'ACETYLENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'ETH' , 28.0 ,'' ,-1 ,'' ,-1 ,'VD_ETH' , 1 ,'ETHENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'OLE' , 42.1 ,'' ,-1 ,'' ,-1 ,'VD_OLE' , 1 ,'ETHENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'IOLE' , 56.1 ,'' ,-1 ,'' ,-1 ,'VD_IOLE' , 1 ,'ETHENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'ISOP' , 68.1 ,'' ,-1 ,'' ,-1 ,'VD_ISOP' , 1 ,'ISOPRENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'ISO2' ,117.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'ISOPRXN' , 68.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'ISOPRXN' ,'' ,'' ,'' ,'' ,'' ,\n'ISPD' , 70.1 ,'' ,-1 ,'' ,-1 ,'VD_ISPD' , 1 ,'METHACROLEIN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'INTR' ,147.1 ,'' ,-1 ,'' ,-1 ,'VD_INTR' , 1 ,'NTR_OH' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ISPX' ,118.1 ,'' ,-1 ,'' ,-1 ,'VD_ISPX' , 1 ,'METHYLHYDROPEROX', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'HPLD' ,116.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'OPO3' ,115.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'EPOX' ,118.1 ,'' ,-1 ,'' ,-1 ,'VD_IEPOX' , 1 ,'MEK' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'IEPOXP' ,118.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes', \n'EPX2' ,149.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'TERP' ,136.2 ,'' ,-1 ,'' ,-1 ,'VD_TERP' , 1 ,'PINENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'APIN' ,136.2 ,'' ,-1 ,'' ,-1 ,'VD_TERP' , 1 ,'PINENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'TERPNRO2' ,197.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'MTNO3' ,231.0 ,'' ,-1 ,'' ,-1 ,'VD_MTNO3' , 1 ,'MTNO3' , 1 ,'MTNO3' ,'MTNO3' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'TRPRXN' ,136.2 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'TRPRXN' ,'' ,'' ,'' ,'' ,'' ,\n'BENZENE' , 78.1 ,'' ,-1 ,'' ,-1 ,'VD_BENZ' , 1 ,'BENZENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'CRES' ,108.1 ,'' ,-1 ,'' ,-1 ,'VD_CRES' , 1 ,'2-CRESOL' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'BZO2' ,159.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'OPEN' , 84.0 ,'' ,-1 ,'' ,-1 ,'VD_OPEN' , 1 ,'METHACROLEIN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'BENZRO2' ,127.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'TOL' , 92.1 ,'' ,-1 ,'' ,-1 ,'VD_TOL' , 1 ,'TOLUENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'TO2' ,173.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'TOLRO2' ,141.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'XOPN' , 98.1 ,'' ,-1 ,'' ,-1 ,'VD_XOPN' , 1 ,'MEK' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'XYLMN' ,106.2 ,'' ,-1 ,'' ,-1 ,'VD_XYLMN' , 1 ,'O-XYLENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'XLO2' ,187.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'XYLRO2' ,155.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'NAPH' ,128.2 ,'' ,-1 ,'' ,-1 ,'VD_NAPH' , 1 ,'O-XYLENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'PAHRO2' ,187.2 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'CRO' ,107.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'CAT1' ,124.1 ,'' ,-1 ,'' ,-1 ,'VD_CAT1' , 1 ,'PHENOL' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'CRON' ,153.1 ,'' ,-1 ,'' ,-1 ,'VD_METH_NIT_PHEN', 1 ,'6_NITRO_O_CRESOL', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'OPAN' ,161.0 ,'' ,-1 ,'' ,-1 ,'VD_MPAN' , 1 ,'MPAN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ECH4' , 16.0 ,'' ,-1 ,'' ,-1 ,'VD_METHANE' , 1 ,'METHANE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'CL2' , 71.0 ,'' ,-1 ,'' ,-1 ,'VD_CL2' , 1 ,'CL2' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'CL' , 35.5 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'HOCL' , 52.5 ,'' ,-1 ,'' ,-1 ,'VD_HOCL' , 1 ,'HOCL' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'CLO' , 51.5 ,'' ,-1 ,'' ,-1 ,'VD_CLO' , 1 ,'CLO' , 1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'FMCL' , 64.5 ,'' ,-1 ,'' ,-1 ,'VD_FMCL' , 1 ,'FMCL' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'HCL' , 36.5 ,'' ,-1 ,'' ,-1 ,'VD_HCL' , 1 ,'HCL' , 1 ,'HCL' ,'HCL' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'CLNO2' , 81.5 ,'' ,-1 ,'' ,-1 ,'VD_CLNO2' , 1 ,'NITRYL_CHLORIDE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'CLNO3' , 97.5 ,'' ,-1 ,'' ,-1 ,'VD_CLNO3' , 1 ,'CLNO3' , 1 ,'CLNO3' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SESQ' ,204.0 ,'' ,-1 ,'' ,-1 ,'VD_SESQ' , 1 ,'PINENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'SESQRXN' ,204.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'SESQRXN' ,'' ,'' ,'' ,'' ,'' ,\n'SOAALK' ,112.0 ,'' ,-1 ,'' ,-1 ,'VD_SOAALK' , 1 ,'DECANE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'H2NO3PIJ' , 64.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'H2NO3PK' , 64.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'VLVPO1' ,218.0 ,'' ,-1 ,'' ,-1 ,'VD_VLVPO1' , 1 ,'ADIPIC_ACID' , 1 ,'VLVPO1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VSVPO1' ,230.0 ,'' ,-1 ,'' ,-1 ,'VD_VSVPO1' , 1 ,'ADIPIC_ACID' , 1 ,'VSVPO1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VSVPO2' ,241.0 ,'' ,-1 ,'' ,-1 ,'VD_VSVPO2' , 1 ,'ADIPIC_ACID' , 1 ,'VSVPO2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VSVPO3' ,253.0 ,'' ,-1 ,'' ,-1 ,'VD_VSVPO3' , 1 ,'ADIPIC_ACID' , 1 ,'VSVPO3' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VIVPO1' ,266.0 ,'' ,-1 ,'' ,-1 ,'VD_VIVPO1' , 1 ,'ADIPIC_ACID' , 1 ,'VIVPO1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VLVOO1' ,136.0 ,'' ,-1 ,'' ,-1 ,'VD_VLVOO1' , 1 ,'ADIPIC_ACID' , 1 ,'VLVOO1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VLVOO2' ,136.0 ,'' ,-1 ,'' ,-1 ,'VD_VLVOO2' , 1 ,'ADIPIC_ACID' , 1 ,'VLVOO2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VSVOO1' ,135.0 ,'' ,-1 ,'' ,-1 ,'VD_VSVOO1' , 1 ,'ADIPIC_ACID' , 1 ,'VSVOO1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VSVOO2' ,135.0 ,'' ,-1 ,'' ,-1 ,'VD_VSVOO2' , 1 ,'ADIPIC_ACID' , 1 ,'VSVOO2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VSVOO3' ,134.0 ,'' ,-1 ,'' ,-1 ,'VD_VSVOO3' , 1 ,'ADIPIC_ACID' , 1 ,'VSVOO3' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'PCVOC' ,170.0 ,'' ,-1 ,'' ,-1 ,'VD_PCVOC' , 1 ,'GENERIC_ALDEHYDE', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'PCSOARXN' ,170.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'PCSOARXN' ,'' ,'' ,'' ,'' ,'' ,\n'FORM_PRIMARY' , 30.0 ,'' ,-1 ,'' ,-1 ,'VD_HCHO' , 1 ,'FORMALDEHYDE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ALD2_PRIMARY' , 44.0 ,'' ,-1 ,'' ,-1 ,'VD_ALD' , 1 ,'ACETALDEHYDE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'BUTADIENE13' , 54.0 ,'' ,-1 ,'' ,-1 ,'VD_BUTADIENE13' , 1 ,'13-BUTADIENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'ACROLEIN' , 56.1 ,'' ,-1 ,'' ,-1 ,'VD_ACROLEIN' , 1 ,'ACROLEIN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'ACRO_PRIMARY' , 56.1 ,'' ,-1 ,'' ,-1 ,'VD_ACROLEIN' , 1 ,'ACROLEIN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'TOLU' , 92.0 ,'' ,-1 ,'' ,-1 ,'VD_TOL' , 1 ,'TOLUENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'' ,'Yes',\n'HG' ,200.6 ,'' ,-1 ,'' ,-1 ,'VD_HG' , 1 ,'HG' , 1 ,'' ,'HG' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'HGIIAER' ,200.6 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'PHGRXN' ,'' ,'' ,'' ,'' ,'' ,\n'HGIIGAS' ,271.5 ,'' ,-1 ,'' ,-1 ,'VD_HGIIGAS' , 1 ,'HGIIGAS' , 1 ,'' ,'HGIIGAS' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVAVB1' ,198.0 ,'' ,-1 ,'' ,-1 ,'VD_SVAVB1' , 1 ,'SVAVB1' , 1 ,'SVAVB1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVAVB2' ,179.0 ,'' ,-1 ,'' ,-1 ,'VD_SVAVB2' , 1 ,'SVAVB2' , 1 ,'SVAVB2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVAVB3' ,169.0 ,'' ,-1 ,'' ,-1 ,'VD_SVAVB3' , 1 ,'SVAVB3' , 1 ,'SVAVB3' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVAVB4' ,158.0 ,'' ,-1 ,'' ,-1 ,'VD_SVAVB4' , 1 ,'SVAVB4' , 1 ,'SVAVB4' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'BR' , 79.9 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'BRO' , 95.9 ,'' ,-1 ,'' ,-1 ,'VD_BRO' , 1 ,'BRO' , 1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'HOBR' , 96.9 ,'' ,-1 ,'' ,-1 ,'VD_HOBR' , 1 ,'HOBR' , 1 ,'HOBR' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'HBR' , 80.9 ,'' ,-1 ,'' ,-1 ,'VD_HBR' , 1 ,'HBR' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'BR2' ,159.8 ,'' ,-1 ,'' ,-1 ,'VD_BR2' , 1 ,'BR2' , 1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'BRNO3' ,141.9 ,'' ,-1 ,'' ,-1 ,'VD_BRNO3' , 1 ,'BRNO3' , 1 ,'BRNO3' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'BRNO2' ,125.9 ,'' ,-1 ,'' ,-1 ,'VD_BRNO2' , 1 ,'BRNO2' , 1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'FMBR' ,108.9 ,'' ,-1 ,'' ,-1 ,'VD_FMBR' , 1 ,'FMBR' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'MB3' ,252.7 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'MB3' , 1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'MB2' ,173.8 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'MB2' , 1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'MB2C' ,208.3 ,'' ,-1 ,'' ,-1 ,'VD_MB2C' , 1 ,'MB2C' , 1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'MBC2' ,243.8 ,'' ,-1 ,'' ,-1 ,'VD_MBC2' , 1 ,'MBC2' , 1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'MBC' ,129.4 ,'' ,-1 ,'' ,-1 ,'VD_MBC' , 1 ,'MBC' , 1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'DMS' , 62.0 ,'' ,-1 ,'' ,-1 ,'VD_DMS' , 1 ,'DMS' , 1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'MSA' , 96.0 ,'' ,-1 ,'' ,-1 ,'VD_MSA' , 1 ,'MSA' , 1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'BRCL' ,115.4 ,'' ,-1 ,'' ,-1 ,'VD_BRCL' , 1 ,'BRCL' , 1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'I' ,126.9 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'IO' ,142.9 ,'' ,-1 ,'' ,-1 ,'VD_IO' , 1 ,'IO' , 1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'HI' ,127.9 ,'' ,-1 ,'' ,-1 ,'VD_HI' , 1 ,'HI' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'I2' ,253.8 ,'' ,-1 ,'' ,-1 ,'VD_I2' , 1 ,'I2' , 1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'HOI' ,143.9 ,'' ,-1 ,'' ,-1 ,'VD_HOI' , 1 ,'HOI' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'INO' ,156.9 ,'' ,-1 ,'' ,-1 ,'VD_INO' , 1 ,'INO' , 1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'INO2' ,172.9 ,'' ,-1 ,'' ,-1 ,'VD_INO2' , 1 ,'INO2' , 1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'INO3' ,188.9 ,'' ,-1 ,'' ,-1 ,'VD_INO3' , 1 ,'INO3' , 1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'OIO' ,158.9 ,'' ,-1 ,'' ,-1 ,'VD_OIO' , 1 ,'OIO' , 1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'I2O4' ,317.8 ,'' ,-1 ,'' ,-1 ,'VD_I2O4' , 1 ,'I2O4' , 1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'I2O2' ,285.8 ,'' ,-1 ,'' ,-1 ,'VD_I2O2' , 1 ,'I2O2' , 1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'I2O3' ,301.8 ,'' ,-1 ,'' ,-1 ,'VD_I2O3' , 1 ,'I2O3' , 1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'CH3I' ,141.9 ,'' ,-1 ,'' ,-1 ,'VD_CH3I' , 1 ,'CH3I' , 1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'ICL' ,162.4 ,'' ,-1 ,'' ,-1 ,'VD_ICL' , 1 ,'ICL' , 1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'IBR' ,206.8 ,'' ,-1 ,'' ,-1 ,'VD_IBR' , 1 ,'IBR' , 1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'MI2' ,267.8 ,'' ,-1 ,'' ,-1 ,'VD_MI2' , 1 ,'MI2' , 1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'MIB' ,219.9 ,'' ,-1 ,'' ,-1 ,'VD_MIB' , 1 ,'MIB' , 1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'MIC' ,176.4 ,'' ,-1 ,'' ,-1 ,'VD_MIC' , 1 ,'MIC' , 1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n/\n" }, { "path": "CCTM/src/MECHS/cb6r5m_ae7_aq/NR_cb6r5m_ae7_aq.nml", "content": "&NR_nml\n\nNR_SPECIES_DATA = \n\n!SPECIES ,MOLWT ,IC ,IC_FAC ,BC ,BC_FAC ,DRYDEP SURR ,FAC ,WET-SCAV SURR ,FAC ,NR2AE SURR ,NR2AQ SURR,TRNS ,DDEP ,WDEP ,CONC\n'NH3' , 17.0 ,'' ,-1 ,'' ,-1 ,'VD_NH3' , 1 ,'NH3' , 1 ,'NH3' ,'NH3' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVISO1' ,132.0 ,'' ,-1 ,'' ,-1 ,'VD_SVISO1' , 1 ,'SVISO1' , 1 ,'SVISO1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVISO2' ,133.0 ,'' ,-1 ,'' ,-1 ,'VD_SVISO2' , 1 ,'SVISO2' , 1 ,'SVISO2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVSQT' ,273.0 ,'' ,-1 ,'' ,-1 ,'VD_SVSQT' , 1 ,'SVSQT' , 1 ,'SVSQT' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'LVPCSOG' ,170.0 ,'' ,-1 ,'' ,-1 ,'VD_LVPCSOG' , 1 ,'ADIPIC_ACID' , 1 ,'LVPCSOG' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'SVMT1' ,300.0 ,'' ,-1 ,'' ,-1 ,'VD_SVMT1' , 1 ,'SVMT1' , 1 ,'SVMT1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVMT2' ,200.0 ,'' ,-1 ,'' ,-1 ,'VD_SVMT2' , 1 ,'SVMT2' , 1 ,'SVMT2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVMT3' ,186.0 ,'' ,-1 ,'' ,-1 ,'VD_SVMT3' , 1 ,'SVMT3' , 1 ,'SVMT3' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVMT4' ,184.0 ,'' ,-1 ,'' ,-1 ,'VD_SVMT4' , 1 ,'SVMT4' , 1 ,'SVMT4' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVMT5' ,170.0 ,'' ,-1 ,'' ,-1 ,'VD_SVMT5' , 1 ,'SVMT5' , 1 ,'SVMT5' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVMT6' ,168.0 ,'' ,-1 ,'' ,-1 ,'VD_SVMT6' , 1 ,'SVMT6' , 1 ,'SVMT6' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n/\n" }, { "path": "CCTM/src/MECHS/cb6r5m_ae7_aq/RXNS_DATA_MODULE.F90", "content": " MODULE RXNS_DATA\n\n\n IMPLICIT NONE\n\n\n\n! --------- Photochemical Mechanism Reactions, Rates, etc. DAT ---------\n! Source file: /home/bmurphy/cmaq_projects/bicicle_1.6/UTIL/chemmech/input/cb6r5m_ae7_aq/mech_cb6r5m_ae7_aq.def\n! for Mechanism Name: CB6R5M_AE7_AQ \n\n! This file is used to create mechanism data and functions\n\n! The following are reserved symbols declared in this file:\n! MECHNAME = Mechanism name\n! N_GAS_CHEM_SPC = Total number of gas species in chemical mechanism\n! NUMB_MECH_SPC = Total number of species in chemical mechanism\n! N_ACT_SP = Number of active (determined by ODE solver) species in mechanism\n! GAS_CHEM_SPC = Names of gas species in chemical mechanism\n! CHEMISTRY_SPC = Names of species in chemical mechanism\n! CGRID_INDEX = CGRID Index of species in chemical mechanism\n! SPECIES_TYPE = Group or type of species \n! SPECIES_MOLWT = Molecular Weight of species (gm/mole)\n! NRXNS = Number of mechanism reactions\n! ZERO_REACT_REACTIONS = number zero reactant reactions\n! ONE_REACT_REACTIONS = number one reactant reactions\n! TWO_REACT_REACTIONS = number second order reactions\n! THREE_REACT_REACTIONS = number three reactant reactions\n! NSUNLIGHT_RXNS = Number of mechanism reactions requiring sunlight\n! NTHERMAL_RXNS = Number of mechanism reactions not requiring sunlight\n! KUNITS = Units of mechanism reactions\n! KTYPE = Reaction type\n! IRXBITS = Bit test mask vector for selected reactions\n! IORDER = Order of the reaction\n! NTERMS_JACOB = Maximum number of nonzero terms in day/night Jacobian\n! MSTEPS_JACOB = Maximum number of LU Decomposition steps to solve each Jacobian\n! KTN1 = Number of type 1 reactions\n! KRX1 = Reactions list pointer to type 1 reactions\n! KTN2 = Number of type 2 reactions\n! KRX2 = Reactions list pointer to type 2 reactions\n! KTN3 = Number of type 3 reactions\n! KRX3 = Reactions list pointer to type 3 reactions\n! KTN4 = Number of type 4 reactions\n! KRX4 = Reactions list pointer to type 4 reactions\n! KTN5 = Number of type 5 reactions\n! KRX5 = Reactions list pointer to type 5 reactions\n! KTN6 = Number of type 6 reactions\n! KRX6 = Reactions list pointer to type 6 reactions\n! KTN7 = Number of type 7 reactions\n! KRX7 = Reactions list pointer to type 7 reactions\n\n! NWM = Number of air 3-body reactions\n! NRXWM = Reactions list pointer to air 3-body reactions\n! ATM_AIR = air 3-body reactions concentration\n! NWW = Number of H2O 3-body reactions\n! NRXWW = Reactions list pointer to H2O 3-body reactions\n! NWO2 = Number of reactions with O2\n! NRXWO2 = Reactions list pointer to O2 reactions\n! ATM_O2 = Oxygen reactions concentration\n! NWN2 = Number of N2 3-body reactions\n! NRXWN2 = Reactions list pointer to N2 3-body reactions\n! ATM_N2 = Nitrogen 3-body reactions concentration\n! NWCH4 = Number of reactions with CH4\n! NRXWCH4 = Reactions list pointer to CH4 reactions\n! ATM_CH4 = Methane reactions concentration\n! NWH2 = Number of reactions with H2\n! NRXWH2 = Reactions list pointer to H2 reactions\n! ATM_H2 = Hydrogen reactions concentration\n\n! MXPRD = Maximum number of mechanism reaction products\n! IRR = Reactions list pointer to reactants and products\n! RTDAT = Kinetic reaction rates expressions components\n! NFALLOFFF = Number of falloff reactions\n! IRRFALL = Reactions list pointer to falloff reactions\n! RFDAT = Falloff reaction rates expressions components\n! SC = Stoichiometric coefficients\n! NREACT = Number of reactants in each mechanism reaction\n! NPRDCT = Number of products in each mechanism reaction\n! RXLABEL = Character label list for mechanism reactions\n! NMPHOT = Number of mechanism photolytic reactions\n! NPHOTAB = Number of photolytic reactions tables\n! IPH = Reactions list pointer to photolytic reactions and tables\n! MHETERO = Number of mechanism heteorogenous reactions\n! NHETERO = Number of unique heteorogenous rate constants\n! IHETERO = Reactions list pointer to heteorogenous reactions and tables\n\n CHARACTER( 32 ), PARAMETER :: MECHNAME = 'CB6R5M_AE7_AQ'\n\n INTEGER, PARAMETER :: N_GAS_CHEM_SPC = 161\n INTEGER, PARAMETER :: NUMB_MECH_SPC = 182\n\n CHARACTER( 16 ) :: GAS_CHEM_SPC( N_GAS_CHEM_SPC )\n CHARACTER( 16 ) :: CHEMISTRY_SPC( NUMB_MECH_SPC )\n CHARACTER( 16 ) :: SPECIES_TYPE( NUMB_MECH_SPC )\n INTEGER :: CGRID_INDEX ( NUMB_MECH_SPC )\n INTEGER :: TYPE_INDEX ( NUMB_MECH_SPC )\n REAL( 8 ) :: SPECIES_MOLWT( NUMB_MECH_SPC )\n LOGICAL :: CONVERT_CONC( NUMB_MECH_SPC )\n\n! The below character and integer arrays list the model species names used in the \n! chemical mechanism. The gas species and their order should agree with \n! the GC_SPC array for the gas phase chemistry to work correctly. \n! If present, the CHEMISTRY_SPC names and species type should agree with the CGRID_SPCS module\n\n DATA GAS_CHEM_SPC( 1 ) / 'NO2 ' /\n DATA GAS_CHEM_SPC( 2 ) / 'NO ' /\n DATA GAS_CHEM_SPC( 3 ) / 'O ' /\n DATA GAS_CHEM_SPC( 4 ) / 'O3 ' /\n DATA GAS_CHEM_SPC( 5 ) / 'NO3 ' /\n DATA GAS_CHEM_SPC( 6 ) / 'O1D ' /\n DATA GAS_CHEM_SPC( 7 ) / 'OH ' /\n DATA GAS_CHEM_SPC( 8 ) / 'HO2 ' /\n DATA GAS_CHEM_SPC( 9 ) / 'H2O2 ' /\n DATA GAS_CHEM_SPC( 10 ) / 'N2O5 ' /\n DATA GAS_CHEM_SPC( 11 ) / 'HNO3 ' /\n DATA GAS_CHEM_SPC( 12 ) / 'HONO ' /\n DATA GAS_CHEM_SPC( 13 ) / 'PNA ' /\n DATA GAS_CHEM_SPC( 14 ) / 'SO2 ' /\n DATA GAS_CHEM_SPC( 15 ) / 'SULF ' /\n DATA GAS_CHEM_SPC( 16 ) / 'SULRXN ' /\n DATA GAS_CHEM_SPC( 17 ) / 'C2O3 ' /\n DATA GAS_CHEM_SPC( 18 ) / 'MEO2 ' /\n DATA GAS_CHEM_SPC( 19 ) / 'RO2 ' /\n DATA GAS_CHEM_SPC( 20 ) / 'PAN ' /\n DATA GAS_CHEM_SPC( 21 ) / 'PACD ' /\n DATA GAS_CHEM_SPC( 22 ) / 'AACD ' /\n DATA GAS_CHEM_SPC( 23 ) / 'CXO3 ' /\n DATA GAS_CHEM_SPC( 24 ) / 'ALD2 ' /\n DATA GAS_CHEM_SPC( 25 ) / 'XO2H ' /\n DATA GAS_CHEM_SPC( 26 ) / 'PANX ' /\n DATA GAS_CHEM_SPC( 27 ) / 'FORM ' /\n DATA GAS_CHEM_SPC( 28 ) / 'MEPX ' /\n DATA GAS_CHEM_SPC( 29 ) / 'MEOH ' /\n DATA GAS_CHEM_SPC( 30 ) / 'ROOH ' /\n DATA GAS_CHEM_SPC( 31 ) / 'XO2 ' /\n DATA GAS_CHEM_SPC( 32 ) / 'XO2N ' /\n DATA GAS_CHEM_SPC( 33 ) / 'NTR1 ' /\n DATA GAS_CHEM_SPC( 34 ) / 'NTR2 ' /\n DATA GAS_CHEM_SPC( 35 ) / 'FACD ' /\n DATA GAS_CHEM_SPC( 36 ) / 'CO ' /\n DATA GAS_CHEM_SPC( 37 ) / 'HCO3 ' /\n DATA GAS_CHEM_SPC( 38 ) / 'ALDX ' /\n DATA GAS_CHEM_SPC( 39 ) / 'GLYD ' /\n DATA GAS_CHEM_SPC( 40 ) / 'GLY ' /\n DATA GAS_CHEM_SPC( 41 ) / 'MGLY ' /\n DATA GAS_CHEM_SPC( 42 ) / 'ETHA ' /\n DATA GAS_CHEM_SPC( 43 ) / 'ETOH ' /\n DATA GAS_CHEM_SPC( 44 ) / 'KET ' /\n DATA GAS_CHEM_SPC( 45 ) / 'PAR ' /\n DATA GAS_CHEM_SPC( 46 ) / 'ACET ' /\n DATA GAS_CHEM_SPC( 47 ) / 'PRPA ' /\n DATA GAS_CHEM_SPC( 48 ) / 'XPRP ' /\n DATA GAS_CHEM_SPC( 49 ) / 'XPAR ' /\n DATA GAS_CHEM_SPC( 50 ) / 'ROR ' /\n DATA GAS_CHEM_SPC( 51 ) / 'ETHY ' /\n DATA GAS_CHEM_SPC( 52 ) / 'ETH ' /\n DATA GAS_CHEM_SPC( 53 ) / 'OLE ' /\n DATA GAS_CHEM_SPC( 54 ) / 'IOLE ' /\n DATA GAS_CHEM_SPC( 55 ) / 'ISOP ' /\n DATA GAS_CHEM_SPC( 56 ) / 'ISO2 ' /\n DATA GAS_CHEM_SPC( 57 ) / 'ISOPRXN ' /\n DATA GAS_CHEM_SPC( 58 ) / 'ISPD ' /\n DATA GAS_CHEM_SPC( 59 ) / 'INTR ' /\n DATA GAS_CHEM_SPC( 60 ) / 'ISPX ' /\n DATA GAS_CHEM_SPC( 61 ) / 'HPLD ' /\n DATA GAS_CHEM_SPC( 62 ) / 'OPO3 ' /\n DATA GAS_CHEM_SPC( 63 ) / 'EPOX ' /\n DATA GAS_CHEM_SPC( 64 ) / 'EPX2 ' /\n DATA GAS_CHEM_SPC( 65 ) / 'TERP ' /\n DATA GAS_CHEM_SPC( 66 ) / 'TRPRXN ' /\n DATA GAS_CHEM_SPC( 67 ) / 'TERPNRO2 ' /\n DATA GAS_CHEM_SPC( 68 ) / 'APIN ' /\n DATA GAS_CHEM_SPC( 69 ) / 'BENZENE ' /\n DATA GAS_CHEM_SPC( 70 ) / 'CRES ' /\n DATA GAS_CHEM_SPC( 71 ) / 'BZO2 ' /\n DATA GAS_CHEM_SPC( 72 ) / 'OPEN ' /\n DATA GAS_CHEM_SPC( 73 ) / 'BENZRO2 ' /\n DATA GAS_CHEM_SPC( 74 ) / 'TOL ' /\n DATA GAS_CHEM_SPC( 75 ) / 'TO2 ' /\n DATA GAS_CHEM_SPC( 76 ) / 'TOLRO2 ' /\n DATA GAS_CHEM_SPC( 77 ) / 'XOPN ' /\n DATA GAS_CHEM_SPC( 78 ) / 'XYLMN ' /\n DATA GAS_CHEM_SPC( 79 ) / 'XLO2 ' /\n DATA GAS_CHEM_SPC( 80 ) / 'XYLRO2 ' /\n DATA GAS_CHEM_SPC( 81 ) / 'NAPH ' /\n DATA GAS_CHEM_SPC( 82 ) / 'PAHRO2 ' /\n DATA GAS_CHEM_SPC( 83 ) / 'CRO ' /\n DATA GAS_CHEM_SPC( 84 ) / 'CAT1 ' /\n DATA GAS_CHEM_SPC( 85 ) / 'CRON ' /\n DATA GAS_CHEM_SPC( 86 ) / 'OPAN ' /\n DATA GAS_CHEM_SPC( 87 ) / 'ECH4 ' /\n DATA GAS_CHEM_SPC( 88 ) / 'CL2 ' /\n DATA GAS_CHEM_SPC( 89 ) / 'CL ' /\n DATA GAS_CHEM_SPC( 90 ) / 'HOCL ' /\n DATA GAS_CHEM_SPC( 91 ) / 'CLO ' /\n DATA GAS_CHEM_SPC( 92 ) / 'FMCL ' /\n DATA GAS_CHEM_SPC( 93 ) / 'HCL ' /\n DATA GAS_CHEM_SPC( 94 ) / 'CLNO2 ' /\n DATA GAS_CHEM_SPC( 95 ) / 'CLNO3 ' /\n DATA GAS_CHEM_SPC( 96 ) / 'SVAVB2 ' /\n DATA GAS_CHEM_SPC( 97 ) / 'SVAVB3 ' /\n DATA GAS_CHEM_SPC( 98 ) / 'SVAVB4 ' /\n DATA GAS_CHEM_SPC( 99 ) / 'SVAVB1 ' /\n DATA GAS_CHEM_SPC( 100 ) / 'SESQ ' /\n DATA GAS_CHEM_SPC( 101 ) / 'SESQRXN ' /\n DATA GAS_CHEM_SPC( 102 ) / 'SOAALK ' /\n DATA GAS_CHEM_SPC( 103 ) / 'H2NO3PIJ ' /\n DATA GAS_CHEM_SPC( 104 ) / 'H2NO3PK ' /\n DATA GAS_CHEM_SPC( 105 ) / 'IEPOXP ' /\n DATA GAS_CHEM_SPC( 106 ) / 'MTNO3 ' /\n DATA GAS_CHEM_SPC( 107 ) / 'PCVOC ' /\n DATA GAS_CHEM_SPC( 108 ) / 'PCSOARXN ' /\n DATA GAS_CHEM_SPC( 109 ) / 'VLVPO1 ' /\n DATA GAS_CHEM_SPC( 110 ) / 'VSVPO1 ' /\n DATA GAS_CHEM_SPC( 111 ) / 'VSVPO2 ' /\n DATA GAS_CHEM_SPC( 112 ) / 'VSVPO3 ' /\n DATA GAS_CHEM_SPC( 113 ) / 'VIVPO1 ' /\n DATA GAS_CHEM_SPC( 114 ) / 'VLVOO1 ' /\n DATA GAS_CHEM_SPC( 115 ) / 'VLVOO2 ' /\n DATA GAS_CHEM_SPC( 116 ) / 'VSVOO2 ' /\n DATA GAS_CHEM_SPC( 117 ) / 'VSVOO3 ' /\n DATA GAS_CHEM_SPC( 118 ) / 'VSVOO1 ' /\n DATA GAS_CHEM_SPC( 119 ) / 'FORM_PRIMARY ' /\n DATA GAS_CHEM_SPC( 120 ) / 'ALD2_PRIMARY ' /\n DATA GAS_CHEM_SPC( 121 ) / 'BUTADIENE13 ' /\n DATA GAS_CHEM_SPC( 122 ) / 'ACROLEIN ' /\n DATA GAS_CHEM_SPC( 123 ) / 'ACRO_PRIMARY ' /\n DATA GAS_CHEM_SPC( 124 ) / 'TOLU ' /\n DATA GAS_CHEM_SPC( 125 ) / 'HG ' /\n DATA GAS_CHEM_SPC( 126 ) / 'HGIIAER ' /\n DATA GAS_CHEM_SPC( 127 ) / 'HGIIGAS ' /\n DATA GAS_CHEM_SPC( 128 ) / 'BR ' /\n DATA GAS_CHEM_SPC( 129 ) / 'BRO ' /\n DATA GAS_CHEM_SPC( 130 ) / 'HOBR ' /\n DATA GAS_CHEM_SPC( 131 ) / 'HBR ' /\n DATA GAS_CHEM_SPC( 132 ) / 'BR2 ' /\n DATA GAS_CHEM_SPC( 133 ) / 'BRNO3 ' /\n DATA GAS_CHEM_SPC( 134 ) / 'BRNO2 ' /\n DATA GAS_CHEM_SPC( 135 ) / 'FMBR ' /\n DATA GAS_CHEM_SPC( 136 ) / 'MB3 ' /\n DATA GAS_CHEM_SPC( 137 ) / 'MB2 ' /\n DATA GAS_CHEM_SPC( 138 ) / 'MB2C ' /\n DATA GAS_CHEM_SPC( 139 ) / 'MBC2 ' /\n DATA GAS_CHEM_SPC( 140 ) / 'MBC ' /\n DATA GAS_CHEM_SPC( 141 ) / 'DMS ' /\n DATA GAS_CHEM_SPC( 142 ) / 'MSA ' /\n DATA GAS_CHEM_SPC( 143 ) / 'BRCL ' /\n DATA GAS_CHEM_SPC( 144 ) / 'I ' /\n DATA GAS_CHEM_SPC( 145 ) / 'IO ' /\n DATA GAS_CHEM_SPC( 146 ) / 'HI ' /\n DATA GAS_CHEM_SPC( 147 ) / 'I2 ' /\n DATA GAS_CHEM_SPC( 148 ) / 'HOI ' /\n DATA GAS_CHEM_SPC( 149 ) / 'INO ' /\n DATA GAS_CHEM_SPC( 150 ) / 'INO2 ' /\n DATA GAS_CHEM_SPC( 151 ) / 'INO3 ' /\n DATA GAS_CHEM_SPC( 152 ) / 'OIO ' /\n DATA GAS_CHEM_SPC( 153 ) / 'I2O4 ' /\n DATA GAS_CHEM_SPC( 154 ) / 'I2O2 ' /\n DATA GAS_CHEM_SPC( 155 ) / 'I2O3 ' /\n DATA GAS_CHEM_SPC( 156 ) / 'CH3I ' /\n DATA GAS_CHEM_SPC( 157 ) / 'ICL ' /\n DATA GAS_CHEM_SPC( 158 ) / 'IBR ' /\n DATA GAS_CHEM_SPC( 159 ) / 'MI2 ' /\n DATA GAS_CHEM_SPC( 160 ) / 'MIB ' /\n DATA GAS_CHEM_SPC( 161 ) / 'MIC ' /\n\n\n\n\n LOGICAL :: HALOGEN_PARMAETER = .FALSE. \n\n\n! The below character and integer arrays list the model species names used in the \n! chemical mechanism. The gas species and their order should agree with \n! the GC_SPC array for the gas phase chemistry to work correctly. \n! If present, the CHEMISTRY_SPC names and species type should agree with the CGRID_SPCS module\n\n\n! MAPPED_TO_CGRID declares whether CMAQ namelists were used to determine \n! the below values of CGRID_INDEX, SPECIES_TYPE, SPECIES_MOLWT, and CONVERT_CONC\n LOGICAL, PARAMETER, PRIVATE :: F = .FALSE.\n LOGICAL, PARAMETER, PRIVATE :: T = .TRUE.\n\n\n LOGICAL :: MAPPED_TO_CGRID = .FALSE. \n\n TYPE MEMBER\n CHARACTER( 16 ) :: CHEMISTRY_SPC\n INTEGER :: CGRID_INDEX\n CHARACTER( 2 ) :: SPECIES_TYPE\n REAL( 8 ) :: SPECIES_MOLWT\n LOGICAL :: CONVERT_CONC\n END TYPE MEMBER\n TYPE( MEMBER ) :: SPECIES_LIST( NUMB_MECH_SPC ) = (/ &\n & MEMBER(\"NO2 \", 1, \"GC\", 46.00D0, F), &\n & MEMBER(\"NO \", 2, \"GC\", 30.00D0, F), &\n & MEMBER(\"O \", 3, \"GC\", 16.00D0, F), &\n & MEMBER(\"O3 \", 4, \"GC\", 48.00D0, F), &\n & MEMBER(\"NO3 \", 5, \"GC\", 62.00D0, F), &\n & MEMBER(\"O1D \", 6, \"GC\", 16.00D0, F), &\n & MEMBER(\"OH \", 7, \"GC\", 17.00D0, F), &\n & MEMBER(\"HO2 \", 8, \"GC\", 33.00D0, F), &\n & MEMBER(\"H2O2 \", 9, \"GC\", 34.00D0, F), &\n & MEMBER(\"N2O5 \", 10, \"GC\", 108.00D0, F), &\n & MEMBER(\"HNO3 \", 11, \"GC\", 63.00D0, F), &\n & MEMBER(\"HONO \", 12, \"GC\", 47.00D0, F), &\n & MEMBER(\"PNA \", 13, \"GC\", 79.00D0, F), &\n & MEMBER(\"SO2 \", 14, \"GC\", 64.00D0, F), &\n & MEMBER(\"SULF \", 15, \"GC\", 98.00D0, F), &\n & MEMBER(\"SULRXN \", 16, \"GC\", 98.00D0, F), &\n & MEMBER(\"C2O3 \", 17, \"GC\", 75.00D0, F), &\n & MEMBER(\"MEO2 \", 18, \"GC\", 47.00D0, F), &\n & MEMBER(\"RO2 \", 19, \"GC\", 87.10D0, F), &\n & MEMBER(\"PAN \", 20, \"GC\", 121.00D0, F), &\n & MEMBER(\"PACD \", 21, \"GC\", 76.00D0, F), &\n & MEMBER(\"AACD \", 22, \"GC\", 60.00D0, F), &\n & MEMBER(\"CXO3 \", 23, \"GC\", 89.00D0, F), &\n & MEMBER(\"ALD2 \", 24, \"GC\", 44.00D0, F), &\n & MEMBER(\"XO2H \", 25, \"GC\", 87.10D0, F), &\n & MEMBER(\"PANX \", 26, \"GC\", 135.00D0, F), &\n & MEMBER(\"FORM \", 27, \"GC\", 30.00D0, F), &\n & MEMBER(\"MEPX \", 28, \"GC\", 48.00D0, F), &\n & MEMBER(\"MEOH \", 29, \"GC\", 32.00D0, F), &\n & MEMBER(\"ROOH \", 30, \"GC\", 90.10D0, F), &\n & MEMBER(\"XO2 \", 31, \"GC\", 87.10D0, F), &\n & MEMBER(\"XO2N \", 32, \"GC\", 87.10D0, F), &\n & MEMBER(\"NTR1 \", 35, \"GC\", 119.10D0, F), &\n & MEMBER(\"NTR2 \", 36, \"GC\", 135.10D0, F), &\n & MEMBER(\"FACD \", 37, \"GC\", 46.00D0, F), &\n & MEMBER(\"CO \", 38, \"GC\", 28.00D0, F), &\n & MEMBER(\"HCO3 \", 39, \"GC\", 63.00D0, F), &\n & MEMBER(\"ALDX \", 40, \"GC\", 58.10D0, F), &\n & MEMBER(\"GLYD \", 41, \"GC\", 60.00D0, F), &\n & MEMBER(\"GLY \", 42, \"GC\", 58.00D0, F), &\n & MEMBER(\"MGLY \", 43, \"GC\", 72.00D0, F), &\n & MEMBER(\"ETHA \", 44, \"GC\", 30.10D0, F), &\n & MEMBER(\"ETOH \", 45, \"GC\", 46.10D0, F), &\n & MEMBER(\"KET \", 46, \"GC\", 72.10D0, F), &\n & MEMBER(\"PAR \", 47, \"GC\", 14.00D0, F), &\n & MEMBER(\"ACET \", 48, \"GC\", 58.10D0, F), &\n & MEMBER(\"PRPA \", 49, \"GC\", 44.10D0, F), &\n & MEMBER(\"XPRP \", 34, \"GC\", 89.10D0, F), &\n & MEMBER(\"XPAR \", 33, \"GC\", 45.00D0, F), &\n & MEMBER(\"ROR \", 50, \"GC\", 29.00D0, F), &\n & MEMBER(\"ETHY \", 51, \"GC\", 26.00D0, F), &\n & MEMBER(\"ETH \", 52, \"GC\", 28.00D0, F), &\n & MEMBER(\"OLE \", 53, \"GC\", 42.10D0, F), &\n & MEMBER(\"IOLE \", 54, \"GC\", 56.10D0, F), &\n & MEMBER(\"ISOP \", 55, \"GC\", 68.10D0, F), &\n & MEMBER(\"ISO2 \", 56, \"GC\", 117.10D0, F), &\n & MEMBER(\"ISOPRXN \", 57, \"GC\", 68.10D0, F), &\n & MEMBER(\"ISPD \", 58, \"GC\", 70.10D0, F), &\n & MEMBER(\"INTR \", 59, \"GC\", 147.10D0, F), &\n & MEMBER(\"ISPX \", 60, \"GC\", 118.10D0, F), &\n & MEMBER(\"HPLD \", 61, \"GC\", 116.10D0, F), &\n & MEMBER(\"OPO3 \", 62, \"GC\", 115.00D0, F), &\n & MEMBER(\"EPOX \", 63, \"GC\", 118.10D0, F), &\n & MEMBER(\"EPX2 \", 65, \"GC\", 149.10D0, F), &\n & MEMBER(\"TERP \", 66, \"GC\", 136.20D0, F), &\n & MEMBER(\"TRPRXN \", 70, \"GC\", 136.20D0, F), &\n & MEMBER(\"TERPNRO2 \", 68, \"GC\", 197.00D0, F), &\n & MEMBER(\"APIN \", 67, \"GC\", 136.20D0, F), &\n & MEMBER(\"BENZENE \", 71, \"GC\", 78.10D0, F), &\n & MEMBER(\"CRES \", 72, \"GC\", 108.10D0, F), &\n & MEMBER(\"BZO2 \", 73, \"GC\", 159.10D0, F), &\n & MEMBER(\"OPEN \", 74, \"GC\", 84.00D0, F), &\n & MEMBER(\"BENZRO2 \", 75, \"GC\", 127.00D0, F), &\n & MEMBER(\"TOL \", 76, \"GC\", 92.10D0, F), &\n & MEMBER(\"TO2 \", 77, \"GC\", 173.10D0, F), &\n & MEMBER(\"TOLRO2 \", 78, \"GC\", 141.00D0, F), &\n & MEMBER(\"XOPN \", 79, \"GC\", 98.10D0, F), &\n & MEMBER(\"XYLMN \", 80, \"GC\", 106.20D0, F), &\n & MEMBER(\"XLO2 \", 81, \"GC\", 187.10D0, F), &\n & MEMBER(\"XYLRO2 \", 82, \"GC\", 155.00D0, F), &\n & MEMBER(\"NAPH \", 83, \"GC\", 128.20D0, F), &\n & MEMBER(\"PAHRO2 \", 84, \"GC\", 187.20D0, F), &\n & MEMBER(\"CRO \", 85, \"GC\", 107.10D0, F), &\n & MEMBER(\"CAT1 \", 86, \"GC\", 124.10D0, F), &\n & MEMBER(\"CRON \", 87, \"GC\", 153.10D0, F), &\n & MEMBER(\"OPAN \", 88, \"GC\", 161.00D0, F), &\n & MEMBER(\"ECH4 \", 89, \"GC\", 16.00D0, F), &\n & MEMBER(\"CL2 \", 90, \"GC\", 71.00D0, F), &\n & MEMBER(\"CL \", 91, \"GC\", 35.50D0, F), &\n & MEMBER(\"HOCL \", 92, \"GC\", 52.50D0, F), &\n & MEMBER(\"CLO \", 93, \"GC\", 51.50D0, F), &\n & MEMBER(\"FMCL \", 94, \"GC\", 64.50D0, F), &\n & MEMBER(\"HCL \", 95, \"GC\", 36.50D0, F), &\n & MEMBER(\"CLNO2 \", 96, \"GC\", 81.50D0, F), &\n & MEMBER(\"CLNO3 \", 97, \"GC\", 97.50D0, F), &\n & MEMBER(\"SVAVB2 \", 125, \"GC\", 179.00D0, F), &\n & MEMBER(\"SVAVB3 \", 126, \"GC\", 169.00D0, F), &\n & MEMBER(\"SVAVB4 \", 127, \"GC\", 158.00D0, F), &\n & MEMBER(\"SVAVB1 \", 124, \"GC\", 198.00D0, F), &\n & MEMBER(\"SESQ \", 98, \"GC\", 204.00D0, F), &\n & MEMBER(\"SESQRXN \", 99, \"GC\", 204.00D0, F), &\n & MEMBER(\"SOAALK \", 100, \"GC\", 112.00D0, F), &\n & MEMBER(\"H2NO3PIJ \", 101, \"GC\", 64.00D0, F), &\n & MEMBER(\"H2NO3PK \", 102, \"GC\", 64.00D0, F), &\n & MEMBER(\"ACLI \", 174, \"AE\", 35.50D0, T), &\n & MEMBER(\"ACLJ \", 175, \"AE\", 35.50D0, T), &\n & MEMBER(\"ACLK \", 176, \"AE\", 35.50D0, T), &\n & MEMBER(\"IEPOXP \", 64, \"GC\", 118.10D0, F), &\n & MEMBER(\"ASO4J \", 164, \"AE\", 96.00D0, T), &\n & MEMBER(\"AISO3J \", 209, \"AE\", 168.20D0, T), &\n & MEMBER(\"AGLYJ \", 212, \"AE\", 66.40D0, T), &\n & MEMBER(\"MTNO3 \", 69, \"GC\", 231.00D0, F), &\n & MEMBER(\"AMTNO3J \", 213, \"AE\", 231.00D0, T), &\n & MEMBER(\"AMTHYDJ \", 214, \"AE\", 168.00D0, T), &\n & MEMBER(\"AAVB2J \", 238, \"AE\", 179.00D0, T), &\n & MEMBER(\"AOLGAJ \", 210, \"AE\", 206.00D0, T), &\n & MEMBER(\"AAVB3J \", 239, \"AE\", 169.00D0, T), &\n & MEMBER(\"AAVB4J \", 240, \"AE\", 158.00D0, T), &\n & MEMBER(\"AISO1J \", 177, \"AE\", 132.00D0, T), &\n & MEMBER(\"AOLGBJ \", 211, \"AE\", 248.00D0, T), &\n & MEMBER(\"AISO2J \", 178, \"AE\", 133.00D0, T), &\n & MEMBER(\"ASQTJ \", 179, \"AE\", 273.00D0, T), &\n & MEMBER(\"APOCI \", 215, \"AE\", 220.00D0, T), &\n & MEMBER(\"APNCOMI \", 217, \"AE\", 220.00D0, T), &\n & MEMBER(\"APOCJ \", 216, \"AE\", 220.00D0, T), &\n & MEMBER(\"APNCOMJ \", 218, \"AE\", 220.00D0, T), &\n & MEMBER(\"PCVOC \", 113, \"GC\", 170.00D0, F), &\n & MEMBER(\"PCSOARXN \", 114, \"GC\", 170.00D0, F), &\n & MEMBER(\"VLVPO1 \", 103, \"GC\", 218.00D0, F), &\n & MEMBER(\"VSVPO1 \", 104, \"GC\", 230.00D0, F), &\n & MEMBER(\"VSVPO2 \", 105, \"GC\", 241.00D0, F), &\n & MEMBER(\"VSVPO3 \", 106, \"GC\", 253.00D0, F), &\n & MEMBER(\"VIVPO1 \", 107, \"GC\", 266.00D0, F), &\n & MEMBER(\"VLVOO1 \", 108, \"GC\", 136.00D0, F), &\n & MEMBER(\"VLVOO2 \", 109, \"GC\", 136.00D0, F), &\n & MEMBER(\"VSVOO2 \", 111, \"GC\", 135.00D0, F), &\n & MEMBER(\"VSVOO3 \", 112, \"GC\", 134.00D0, F), &\n & MEMBER(\"VSVOO1 \", 110, \"GC\", 135.00D0, F), &\n & MEMBER(\"FORM_PRIMARY \", 115, \"GC\", 30.00D0, F), &\n & MEMBER(\"ALD2_PRIMARY \", 116, \"GC\", 44.00D0, F), &\n & MEMBER(\"BUTADIENE13 \", 117, \"GC\", 54.00D0, F), &\n & MEMBER(\"ACROLEIN \", 118, \"GC\", 56.10D0, F), &\n & MEMBER(\"ACRO_PRIMARY \", 119, \"GC\", 56.10D0, F), &\n & MEMBER(\"TOLU \", 120, \"GC\", 92.00D0, F), &\n & MEMBER(\"HG \", 121, \"GC\", 200.60D0, F), &\n & MEMBER(\"HGIIAER \", 122, \"GC\", 200.60D0, F), &\n & MEMBER(\"HGIIGAS \", 123, \"GC\", 271.50D0, F), &\n & MEMBER(\"BR \", 128, \"GC\", 79.90D0, F), &\n & MEMBER(\"BRO \", 129, \"GC\", 95.90D0, F), &\n & MEMBER(\"HOBR \", 130, \"GC\", 96.90D0, F), &\n & MEMBER(\"HBR \", 131, \"GC\", 80.90D0, F), &\n & MEMBER(\"BR2 \", 132, \"GC\", 159.80D0, F), &\n & MEMBER(\"BRNO3 \", 133, \"GC\", 141.90D0, F), &\n & MEMBER(\"BRNO2 \", 134, \"GC\", 125.90D0, F), &\n & MEMBER(\"FMBR \", 135, \"GC\", 108.90D0, F), &\n & MEMBER(\"MB3 \", 136, \"GC\", 252.70D0, F), &\n & MEMBER(\"MB2 \", 137, \"GC\", 173.80D0, F), &\n & MEMBER(\"MB2C \", 138, \"GC\", 208.30D0, F), &\n & MEMBER(\"MBC2 \", 139, \"GC\", 243.80D0, F), &\n & MEMBER(\"MBC \", 140, \"GC\", 129.40D0, F), &\n & MEMBER(\"DMS \", 141, \"GC\", 62.00D0, F), &\n & MEMBER(\"MSA \", 142, \"GC\", 96.00D0, F), &\n & MEMBER(\"BRCL \", 143, \"GC\", 115.40D0, F), &\n & MEMBER(\"ABRJ \", 247, \"AE\", 79.90D0, T), &\n & MEMBER(\"I \", 144, \"GC\", 126.90D0, F), &\n & MEMBER(\"IO \", 145, \"GC\", 142.90D0, F), &\n & MEMBER(\"HI \", 146, \"GC\", 127.90D0, F), &\n & MEMBER(\"I2 \", 147, \"GC\", 253.80D0, F), &\n & MEMBER(\"HOI \", 148, \"GC\", 143.90D0, F), &\n & MEMBER(\"INO \", 149, \"GC\", 156.90D0, F), &\n & MEMBER(\"INO2 \", 150, \"GC\", 172.90D0, F), &\n & MEMBER(\"INO3 \", 151, \"GC\", 188.90D0, F), &\n & MEMBER(\"OIO \", 152, \"GC\", 158.90D0, F), &\n & MEMBER(\"I2O4 \", 153, \"GC\", 317.80D0, F), &\n & MEMBER(\"I2O2 \", 154, \"GC\", 285.80D0, F), &\n & MEMBER(\"I2O3 \", 155, \"GC\", 301.80D0, F), &\n & MEMBER(\"CH3I \", 156, \"GC\", 141.90D0, F), &\n & MEMBER(\"ICL \", 157, \"GC\", 162.40D0, F), &\n & MEMBER(\"IBR \", 158, \"GC\", 206.80D0, F), &\n & MEMBER(\"MI2 \", 159, \"GC\", 267.80D0, F), &\n & MEMBER(\"MIB \", 160, \"GC\", 219.90D0, F), &\n & MEMBER(\"MIC \", 161, \"GC\", 176.40D0, F) /)\n\n DATA CHEMISTRY_SPC( 1 ), SPECIES_MOLWT( 1 ) / 'NO2 ', 46.00D0 /\n DATA CHEMISTRY_SPC( 2 ), SPECIES_MOLWT( 2 ) / 'NO ', 30.00D0 /\n DATA CHEMISTRY_SPC( 3 ), SPECIES_MOLWT( 3 ) / 'O ', 16.00D0 /\n DATA CHEMISTRY_SPC( 4 ), SPECIES_MOLWT( 4 ) / 'O3 ', 48.00D0 /\n DATA CHEMISTRY_SPC( 5 ), SPECIES_MOLWT( 5 ) / 'NO3 ', 62.00D0 /\n DATA CHEMISTRY_SPC( 6 ), SPECIES_MOLWT( 6 ) / 'O1D ', 16.00D0 /\n DATA CHEMISTRY_SPC( 7 ), SPECIES_MOLWT( 7 ) / 'OH ', 17.00D0 /\n DATA CHEMISTRY_SPC( 8 ), SPECIES_MOLWT( 8 ) / 'HO2 ', 33.00D0 /\n DATA CHEMISTRY_SPC( 9 ), SPECIES_MOLWT( 9 ) / 'H2O2 ', 34.00D0 /\n DATA CHEMISTRY_SPC( 10 ), SPECIES_MOLWT( 10 ) / 'N2O5 ', 108.00D0 /\n DATA CHEMISTRY_SPC( 11 ), SPECIES_MOLWT( 11 ) / 'HNO3 ', 63.00D0 /\n DATA CHEMISTRY_SPC( 12 ), SPECIES_MOLWT( 12 ) / 'HONO ', 47.00D0 /\n DATA CHEMISTRY_SPC( 13 ), SPECIES_MOLWT( 13 ) / 'PNA ', 79.00D0 /\n DATA CHEMISTRY_SPC( 14 ), SPECIES_MOLWT( 14 ) / 'SO2 ', 64.00D0 /\n DATA CHEMISTRY_SPC( 15 ), SPECIES_MOLWT( 15 ) / 'SULF ', 98.00D0 /\n DATA CHEMISTRY_SPC( 16 ), SPECIES_MOLWT( 16 ) / 'SULRXN ', 98.00D0 /\n DATA CHEMISTRY_SPC( 17 ), SPECIES_MOLWT( 17 ) / 'C2O3 ', 75.00D0 /\n DATA CHEMISTRY_SPC( 18 ), SPECIES_MOLWT( 18 ) / 'MEO2 ', 47.00D0 /\n DATA CHEMISTRY_SPC( 19 ), SPECIES_MOLWT( 19 ) / 'RO2 ', 87.10D0 /\n DATA CHEMISTRY_SPC( 20 ), SPECIES_MOLWT( 20 ) / 'PAN ', 121.00D0 /\n DATA CHEMISTRY_SPC( 21 ), SPECIES_MOLWT( 21 ) / 'PACD ', 76.00D0 /\n DATA CHEMISTRY_SPC( 22 ), SPECIES_MOLWT( 22 ) / 'AACD ', 60.00D0 /\n DATA CHEMISTRY_SPC( 23 ), SPECIES_MOLWT( 23 ) / 'CXO3 ', 89.00D0 /\n DATA CHEMISTRY_SPC( 24 ), SPECIES_MOLWT( 24 ) / 'ALD2 ', 44.00D0 /\n DATA CHEMISTRY_SPC( 25 ), SPECIES_MOLWT( 25 ) / 'XO2H ', 87.10D0 /\n DATA CHEMISTRY_SPC( 26 ), SPECIES_MOLWT( 26 ) / 'PANX ', 135.00D0 /\n DATA CHEMISTRY_SPC( 27 ), SPECIES_MOLWT( 27 ) / 'FORM ', 30.00D0 /\n DATA CHEMISTRY_SPC( 28 ), SPECIES_MOLWT( 28 ) / 'MEPX ', 48.00D0 /\n DATA CHEMISTRY_SPC( 29 ), SPECIES_MOLWT( 29 ) / 'MEOH ', 32.00D0 /\n DATA CHEMISTRY_SPC( 30 ), SPECIES_MOLWT( 30 ) / 'ROOH ', 90.10D0 /\n DATA CHEMISTRY_SPC( 31 ), SPECIES_MOLWT( 31 ) / 'XO2 ', 87.10D0 /\n DATA CHEMISTRY_SPC( 32 ), SPECIES_MOLWT( 32 ) / 'XO2N ', 87.10D0 /\n DATA CHEMISTRY_SPC( 33 ), SPECIES_MOLWT( 33 ) / 'NTR1 ', 119.10D0 /\n DATA CHEMISTRY_SPC( 34 ), SPECIES_MOLWT( 34 ) / 'NTR2 ', 135.10D0 /\n DATA CHEMISTRY_SPC( 35 ), SPECIES_MOLWT( 35 ) / 'FACD ', 46.00D0 /\n DATA CHEMISTRY_SPC( 36 ), SPECIES_MOLWT( 36 ) / 'CO ', 28.00D0 /\n DATA CHEMISTRY_SPC( 37 ), SPECIES_MOLWT( 37 ) / 'HCO3 ', 63.00D0 /\n DATA CHEMISTRY_SPC( 38 ), SPECIES_MOLWT( 38 ) / 'ALDX ', 58.10D0 /\n DATA CHEMISTRY_SPC( 39 ), SPECIES_MOLWT( 39 ) / 'GLYD ', 60.00D0 /\n DATA CHEMISTRY_SPC( 40 ), SPECIES_MOLWT( 40 ) / 'GLY ', 58.00D0 /\n DATA CHEMISTRY_SPC( 41 ), SPECIES_MOLWT( 41 ) / 'MGLY ', 72.00D0 /\n DATA CHEMISTRY_SPC( 42 ), SPECIES_MOLWT( 42 ) / 'ETHA ', 30.10D0 /\n DATA CHEMISTRY_SPC( 43 ), SPECIES_MOLWT( 43 ) / 'ETOH ', 46.10D0 /\n DATA CHEMISTRY_SPC( 44 ), SPECIES_MOLWT( 44 ) / 'KET ', 72.10D0 /\n DATA CHEMISTRY_SPC( 45 ), SPECIES_MOLWT( 45 ) / 'PAR ', 14.00D0 /\n DATA CHEMISTRY_SPC( 46 ), SPECIES_MOLWT( 46 ) / 'ACET ', 58.10D0 /\n DATA CHEMISTRY_SPC( 47 ), SPECIES_MOLWT( 47 ) / 'PRPA ', 44.10D0 /\n DATA CHEMISTRY_SPC( 48 ), SPECIES_MOLWT( 48 ) / 'XPRP ', 89.10D0 /\n DATA CHEMISTRY_SPC( 49 ), SPECIES_MOLWT( 49 ) / 'XPAR ', 45.00D0 /\n DATA CHEMISTRY_SPC( 50 ), SPECIES_MOLWT( 50 ) / 'ROR ', 29.00D0 /\n DATA CHEMISTRY_SPC( 51 ), SPECIES_MOLWT( 51 ) / 'ETHY ', 26.00D0 /\n DATA CHEMISTRY_SPC( 52 ), SPECIES_MOLWT( 52 ) / 'ETH ', 28.00D0 /\n DATA CHEMISTRY_SPC( 53 ), SPECIES_MOLWT( 53 ) / 'OLE ', 42.10D0 /\n DATA CHEMISTRY_SPC( 54 ), SPECIES_MOLWT( 54 ) / 'IOLE ', 56.10D0 /\n DATA CHEMISTRY_SPC( 55 ), SPECIES_MOLWT( 55 ) / 'ISOP ', 68.10D0 /\n DATA CHEMISTRY_SPC( 56 ), SPECIES_MOLWT( 56 ) / 'ISO2 ', 117.10D0 /\n DATA CHEMISTRY_SPC( 57 ), SPECIES_MOLWT( 57 ) / 'ISOPRXN ', 68.10D0 /\n DATA CHEMISTRY_SPC( 58 ), SPECIES_MOLWT( 58 ) / 'ISPD ', 70.10D0 /\n DATA CHEMISTRY_SPC( 59 ), SPECIES_MOLWT( 59 ) / 'INTR ', 147.10D0 /\n DATA CHEMISTRY_SPC( 60 ), SPECIES_MOLWT( 60 ) / 'ISPX ', 118.10D0 /\n DATA CHEMISTRY_SPC( 61 ), SPECIES_MOLWT( 61 ) / 'HPLD ', 116.10D0 /\n DATA CHEMISTRY_SPC( 62 ), SPECIES_MOLWT( 62 ) / 'OPO3 ', 115.00D0 /\n DATA CHEMISTRY_SPC( 63 ), SPECIES_MOLWT( 63 ) / 'EPOX ', 118.10D0 /\n DATA CHEMISTRY_SPC( 64 ), SPECIES_MOLWT( 64 ) / 'EPX2 ', 149.10D0 /\n DATA CHEMISTRY_SPC( 65 ), SPECIES_MOLWT( 65 ) / 'TERP ', 136.20D0 /\n DATA CHEMISTRY_SPC( 66 ), SPECIES_MOLWT( 66 ) / 'TRPRXN ', 136.20D0 /\n DATA CHEMISTRY_SPC( 67 ), SPECIES_MOLWT( 67 ) / 'TERPNRO2 ', 197.00D0 /\n DATA CHEMISTRY_SPC( 68 ), SPECIES_MOLWT( 68 ) / 'APIN ', 136.20D0 /\n DATA CHEMISTRY_SPC( 69 ), SPECIES_MOLWT( 69 ) / 'BENZENE ', 78.10D0 /\n DATA CHEMISTRY_SPC( 70 ), SPECIES_MOLWT( 70 ) / 'CRES ', 108.10D0 /\n DATA CHEMISTRY_SPC( 71 ), SPECIES_MOLWT( 71 ) / 'BZO2 ', 159.10D0 /\n DATA CHEMISTRY_SPC( 72 ), SPECIES_MOLWT( 72 ) / 'OPEN ', 84.00D0 /\n DATA CHEMISTRY_SPC( 73 ), SPECIES_MOLWT( 73 ) / 'BENZRO2 ', 127.00D0 /\n DATA CHEMISTRY_SPC( 74 ), SPECIES_MOLWT( 74 ) / 'TOL ', 92.10D0 /\n DATA CHEMISTRY_SPC( 75 ), SPECIES_MOLWT( 75 ) / 'TO2 ', 173.10D0 /\n DATA CHEMISTRY_SPC( 76 ), SPECIES_MOLWT( 76 ) / 'TOLRO2 ', 141.00D0 /\n DATA CHEMISTRY_SPC( 77 ), SPECIES_MOLWT( 77 ) / 'XOPN ', 98.10D0 /\n DATA CHEMISTRY_SPC( 78 ), SPECIES_MOLWT( 78 ) / 'XYLMN ', 106.20D0 /\n DATA CHEMISTRY_SPC( 79 ), SPECIES_MOLWT( 79 ) / 'XLO2 ', 187.10D0 /\n DATA CHEMISTRY_SPC( 80 ), SPECIES_MOLWT( 80 ) / 'XYLRO2 ', 155.00D0 /\n DATA CHEMISTRY_SPC( 81 ), SPECIES_MOLWT( 81 ) / 'NAPH ', 128.20D0 /\n DATA CHEMISTRY_SPC( 82 ), SPECIES_MOLWT( 82 ) / 'PAHRO2 ', 187.20D0 /\n DATA CHEMISTRY_SPC( 83 ), SPECIES_MOLWT( 83 ) / 'CRO ', 107.10D0 /\n DATA CHEMISTRY_SPC( 84 ), SPECIES_MOLWT( 84 ) / 'CAT1 ', 124.10D0 /\n DATA CHEMISTRY_SPC( 85 ), SPECIES_MOLWT( 85 ) / 'CRON ', 153.10D0 /\n DATA CHEMISTRY_SPC( 86 ), SPECIES_MOLWT( 86 ) / 'OPAN ', 161.00D0 /\n DATA CHEMISTRY_SPC( 87 ), SPECIES_MOLWT( 87 ) / 'ECH4 ', 16.00D0 /\n DATA CHEMISTRY_SPC( 88 ), SPECIES_MOLWT( 88 ) / 'CL2 ', 71.00D0 /\n DATA CHEMISTRY_SPC( 89 ), SPECIES_MOLWT( 89 ) / 'CL ', 35.50D0 /\n DATA CHEMISTRY_SPC( 90 ), SPECIES_MOLWT( 90 ) / 'HOCL ', 52.50D0 /\n DATA CHEMISTRY_SPC( 91 ), SPECIES_MOLWT( 91 ) / 'CLO ', 51.50D0 /\n DATA CHEMISTRY_SPC( 92 ), SPECIES_MOLWT( 92 ) / 'FMCL ', 64.50D0 /\n DATA CHEMISTRY_SPC( 93 ), SPECIES_MOLWT( 93 ) / 'HCL ', 36.50D0 /\n DATA CHEMISTRY_SPC( 94 ), SPECIES_MOLWT( 94 ) / 'CLNO2 ', 81.50D0 /\n DATA CHEMISTRY_SPC( 95 ), SPECIES_MOLWT( 95 ) / 'CLNO3 ', 97.50D0 /\n DATA CHEMISTRY_SPC( 96 ), SPECIES_MOLWT( 96 ) / 'SVAVB2 ', 179.00D0 /\n DATA CHEMISTRY_SPC( 97 ), SPECIES_MOLWT( 97 ) / 'SVAVB3 ', 169.00D0 /\n DATA CHEMISTRY_SPC( 98 ), SPECIES_MOLWT( 98 ) / 'SVAVB4 ', 158.00D0 /\n DATA CHEMISTRY_SPC( 99 ), SPECIES_MOLWT( 99 ) / 'SVAVB1 ', 198.00D0 /\n DATA CHEMISTRY_SPC( 100 ), SPECIES_MOLWT( 100 ) / 'SESQ ', 204.00D0 /\n DATA CHEMISTRY_SPC( 101 ), SPECIES_MOLWT( 101 ) / 'SESQRXN ', 204.00D0 /\n DATA CHEMISTRY_SPC( 102 ), SPECIES_MOLWT( 102 ) / 'SOAALK ', 112.00D0 /\n DATA CHEMISTRY_SPC( 103 ), SPECIES_MOLWT( 103 ) / 'H2NO3PIJ ', 64.00D0 /\n DATA CHEMISTRY_SPC( 104 ), SPECIES_MOLWT( 104 ) / 'H2NO3PK ', 64.00D0 /\n DATA CHEMISTRY_SPC( 105 ), SPECIES_MOLWT( 105 ) / 'ACLI ', 35.50D0 /\n DATA CHEMISTRY_SPC( 106 ), SPECIES_MOLWT( 106 ) / 'ACLJ ', 35.50D0 /\n DATA CHEMISTRY_SPC( 107 ), SPECIES_MOLWT( 107 ) / 'ACLK ', 35.50D0 /\n DATA CHEMISTRY_SPC( 108 ), SPECIES_MOLWT( 108 ) / 'IEPOXP ', 118.10D0 /\n DATA CHEMISTRY_SPC( 109 ), SPECIES_MOLWT( 109 ) / 'ASO4J ', 96.00D0 /\n DATA CHEMISTRY_SPC( 110 ), SPECIES_MOLWT( 110 ) / 'AISO3J ', 168.20D0 /\n DATA CHEMISTRY_SPC( 111 ), SPECIES_MOLWT( 111 ) / 'AGLYJ ', 66.40D0 /\n DATA CHEMISTRY_SPC( 112 ), SPECIES_MOLWT( 112 ) / 'MTNO3 ', 231.00D0 /\n DATA CHEMISTRY_SPC( 113 ), SPECIES_MOLWT( 113 ) / 'AMTNO3J ', 231.00D0 /\n DATA CHEMISTRY_SPC( 114 ), SPECIES_MOLWT( 114 ) / 'AMTHYDJ ', 168.00D0 /\n DATA CHEMISTRY_SPC( 115 ), SPECIES_MOLWT( 115 ) / 'AAVB2J ', 179.00D0 /\n DATA CHEMISTRY_SPC( 116 ), SPECIES_MOLWT( 116 ) / 'AOLGAJ ', 206.00D0 /\n DATA CHEMISTRY_SPC( 117 ), SPECIES_MOLWT( 117 ) / 'AAVB3J ', 169.00D0 /\n DATA CHEMISTRY_SPC( 118 ), SPECIES_MOLWT( 118 ) / 'AAVB4J ', 158.00D0 /\n DATA CHEMISTRY_SPC( 119 ), SPECIES_MOLWT( 119 ) / 'AISO1J ', 132.00D0 /\n DATA CHEMISTRY_SPC( 120 ), SPECIES_MOLWT( 120 ) / 'AOLGBJ ', 248.00D0 /\n DATA CHEMISTRY_SPC( 121 ), SPECIES_MOLWT( 121 ) / 'AISO2J ', 133.00D0 /\n DATA CHEMISTRY_SPC( 122 ), SPECIES_MOLWT( 122 ) / 'ASQTJ ', 273.00D0 /\n DATA CHEMISTRY_SPC( 123 ), SPECIES_MOLWT( 123 ) / 'APOCI ', 220.00D0 /\n DATA CHEMISTRY_SPC( 124 ), SPECIES_MOLWT( 124 ) / 'APNCOMI ', 220.00D0 /\n DATA CHEMISTRY_SPC( 125 ), SPECIES_MOLWT( 125 ) / 'APOCJ ', 220.00D0 /\n DATA CHEMISTRY_SPC( 126 ), SPECIES_MOLWT( 126 ) / 'APNCOMJ ', 220.00D0 /\n DATA CHEMISTRY_SPC( 127 ), SPECIES_MOLWT( 127 ) / 'PCVOC ', 170.00D0 /\n DATA CHEMISTRY_SPC( 128 ), SPECIES_MOLWT( 128 ) / 'PCSOARXN ', 170.00D0 /\n DATA CHEMISTRY_SPC( 129 ), SPECIES_MOLWT( 129 ) / 'VLVPO1 ', 218.00D0 /\n DATA CHEMISTRY_SPC( 130 ), SPECIES_MOLWT( 130 ) / 'VSVPO1 ', 230.00D0 /\n DATA CHEMISTRY_SPC( 131 ), SPECIES_MOLWT( 131 ) / 'VSVPO2 ', 241.00D0 /\n DATA CHEMISTRY_SPC( 132 ), SPECIES_MOLWT( 132 ) / 'VSVPO3 ', 253.00D0 /\n DATA CHEMISTRY_SPC( 133 ), SPECIES_MOLWT( 133 ) / 'VIVPO1 ', 266.00D0 /\n DATA CHEMISTRY_SPC( 134 ), SPECIES_MOLWT( 134 ) / 'VLVOO1 ', 136.00D0 /\n DATA CHEMISTRY_SPC( 135 ), SPECIES_MOLWT( 135 ) / 'VLVOO2 ', 136.00D0 /\n DATA CHEMISTRY_SPC( 136 ), SPECIES_MOLWT( 136 ) / 'VSVOO2 ', 135.00D0 /\n DATA CHEMISTRY_SPC( 137 ), SPECIES_MOLWT( 137 ) / 'VSVOO3 ', 134.00D0 /\n DATA CHEMISTRY_SPC( 138 ), SPECIES_MOLWT( 138 ) / 'VSVOO1 ', 135.00D0 /\n DATA CHEMISTRY_SPC( 139 ), SPECIES_MOLWT( 139 ) / 'FORM_PRIMARY ', 30.00D0 /\n DATA CHEMISTRY_SPC( 140 ), SPECIES_MOLWT( 140 ) / 'ALD2_PRIMARY ', 44.00D0 /\n DATA CHEMISTRY_SPC( 141 ), SPECIES_MOLWT( 141 ) / 'BUTADIENE13 ', 54.00D0 /\n DATA CHEMISTRY_SPC( 142 ), SPECIES_MOLWT( 142 ) / 'ACROLEIN ', 56.10D0 /\n DATA CHEMISTRY_SPC( 143 ), SPECIES_MOLWT( 143 ) / 'ACRO_PRIMARY ', 56.10D0 /\n DATA CHEMISTRY_SPC( 144 ), SPECIES_MOLWT( 144 ) / 'TOLU ', 92.00D0 /\n DATA CHEMISTRY_SPC( 145 ), SPECIES_MOLWT( 145 ) / 'HG ', 200.60D0 /\n DATA CHEMISTRY_SPC( 146 ), SPECIES_MOLWT( 146 ) / 'HGIIAER ', 200.60D0 /\n DATA CHEMISTRY_SPC( 147 ), SPECIES_MOLWT( 147 ) / 'HGIIGAS ', 271.50D0 /\n DATA CHEMISTRY_SPC( 148 ), SPECIES_MOLWT( 148 ) / 'BR ', 79.90D0 /\n DATA CHEMISTRY_SPC( 149 ), SPECIES_MOLWT( 149 ) / 'BRO ', 95.90D0 /\n DATA CHEMISTRY_SPC( 150 ), SPECIES_MOLWT( 150 ) / 'HOBR ', 96.90D0 /\n DATA CHEMISTRY_SPC( 151 ), SPECIES_MOLWT( 151 ) / 'HBR ', 80.90D0 /\n DATA CHEMISTRY_SPC( 152 ), SPECIES_MOLWT( 152 ) / 'BR2 ', 159.80D0 /\n DATA CHEMISTRY_SPC( 153 ), SPECIES_MOLWT( 153 ) / 'BRNO3 ', 141.90D0 /\n DATA CHEMISTRY_SPC( 154 ), SPECIES_MOLWT( 154 ) / 'BRNO2 ', 125.90D0 /\n DATA CHEMISTRY_SPC( 155 ), SPECIES_MOLWT( 155 ) / 'FMBR ', 108.90D0 /\n DATA CHEMISTRY_SPC( 156 ), SPECIES_MOLWT( 156 ) / 'MB3 ', 252.70D0 /\n DATA CHEMISTRY_SPC( 157 ), SPECIES_MOLWT( 157 ) / 'MB2 ', 173.80D0 /\n DATA CHEMISTRY_SPC( 158 ), SPECIES_MOLWT( 158 ) / 'MB2C ', 208.30D0 /\n DATA CHEMISTRY_SPC( 159 ), SPECIES_MOLWT( 159 ) / 'MBC2 ', 243.80D0 /\n DATA CHEMISTRY_SPC( 160 ), SPECIES_MOLWT( 160 ) / 'MBC ', 129.40D0 /\n DATA CHEMISTRY_SPC( 161 ), SPECIES_MOLWT( 161 ) / 'DMS ', 62.00D0 /\n DATA CHEMISTRY_SPC( 162 ), SPECIES_MOLWT( 162 ) / 'MSA ', 96.00D0 /\n DATA CHEMISTRY_SPC( 163 ), SPECIES_MOLWT( 163 ) / 'BRCL ', 115.40D0 /\n DATA CHEMISTRY_SPC( 164 ), SPECIES_MOLWT( 164 ) / 'ABRJ ', 79.90D0 /\n DATA CHEMISTRY_SPC( 165 ), SPECIES_MOLWT( 165 ) / 'I ', 126.90D0 /\n DATA CHEMISTRY_SPC( 166 ), SPECIES_MOLWT( 166 ) / 'IO ', 142.90D0 /\n DATA CHEMISTRY_SPC( 167 ), SPECIES_MOLWT( 167 ) / 'HI ', 127.90D0 /\n DATA CHEMISTRY_SPC( 168 ), SPECIES_MOLWT( 168 ) / 'I2 ', 253.80D0 /\n DATA CHEMISTRY_SPC( 169 ), SPECIES_MOLWT( 169 ) / 'HOI ', 143.90D0 /\n DATA CHEMISTRY_SPC( 170 ), SPECIES_MOLWT( 170 ) / 'INO ', 156.90D0 /\n DATA CHEMISTRY_SPC( 171 ), SPECIES_MOLWT( 171 ) / 'INO2 ', 172.90D0 /\n DATA CHEMISTRY_SPC( 172 ), SPECIES_MOLWT( 172 ) / 'INO3 ', 188.90D0 /\n DATA CHEMISTRY_SPC( 173 ), SPECIES_MOLWT( 173 ) / 'OIO ', 158.90D0 /\n DATA CHEMISTRY_SPC( 174 ), SPECIES_MOLWT( 174 ) / 'I2O4 ', 317.80D0 /\n DATA CHEMISTRY_SPC( 175 ), SPECIES_MOLWT( 175 ) / 'I2O2 ', 285.80D0 /\n DATA CHEMISTRY_SPC( 176 ), SPECIES_MOLWT( 176 ) / 'I2O3 ', 301.80D0 /\n DATA CHEMISTRY_SPC( 177 ), SPECIES_MOLWT( 177 ) / 'CH3I ', 141.90D0 /\n DATA CHEMISTRY_SPC( 178 ), SPECIES_MOLWT( 178 ) / 'ICL ', 162.40D0 /\n DATA CHEMISTRY_SPC( 179 ), SPECIES_MOLWT( 179 ) / 'IBR ', 206.80D0 /\n DATA CHEMISTRY_SPC( 180 ), SPECIES_MOLWT( 180 ) / 'MI2 ', 267.80D0 /\n DATA CHEMISTRY_SPC( 181 ), SPECIES_MOLWT( 181 ) / 'MIB ', 219.90D0 /\n DATA CHEMISTRY_SPC( 182 ), SPECIES_MOLWT( 182 ) / 'MIC ', 176.40D0 /\n\n\n DATA CGRID_INDEX( 1 ), SPECIES_TYPE( 1 ), CONVERT_CONC( 1 ) / 1, 'GC', F / ! NO2\n DATA CGRID_INDEX( 2 ), SPECIES_TYPE( 2 ), CONVERT_CONC( 2 ) / 2, 'GC', F / ! NO\n DATA CGRID_INDEX( 3 ), SPECIES_TYPE( 3 ), CONVERT_CONC( 3 ) / 3, 'GC', F / ! O\n DATA CGRID_INDEX( 4 ), SPECIES_TYPE( 4 ), CONVERT_CONC( 4 ) / 4, 'GC', F / ! O3\n DATA CGRID_INDEX( 5 ), SPECIES_TYPE( 5 ), CONVERT_CONC( 5 ) / 5, 'GC', F / ! NO3\n DATA CGRID_INDEX( 6 ), SPECIES_TYPE( 6 ), CONVERT_CONC( 6 ) / 6, 'GC', F / ! O1D\n DATA CGRID_INDEX( 7 ), SPECIES_TYPE( 7 ), CONVERT_CONC( 7 ) / 7, 'GC', F / ! OH\n DATA CGRID_INDEX( 8 ), SPECIES_TYPE( 8 ), CONVERT_CONC( 8 ) / 8, 'GC', F / ! HO2\n DATA CGRID_INDEX( 9 ), SPECIES_TYPE( 9 ), CONVERT_CONC( 9 ) / 9, 'GC', F / ! H2O2\n DATA CGRID_INDEX( 10 ), SPECIES_TYPE( 10 ), CONVERT_CONC( 10 ) / 10, 'GC', F / ! N2O5\n DATA CGRID_INDEX( 11 ), SPECIES_TYPE( 11 ), CONVERT_CONC( 11 ) / 11, 'GC', F / ! HNO3\n DATA CGRID_INDEX( 12 ), SPECIES_TYPE( 12 ), CONVERT_CONC( 12 ) / 12, 'GC', F / ! HONO\n DATA CGRID_INDEX( 13 ), SPECIES_TYPE( 13 ), CONVERT_CONC( 13 ) / 13, 'GC', F / ! PNA\n DATA CGRID_INDEX( 14 ), SPECIES_TYPE( 14 ), CONVERT_CONC( 14 ) / 14, 'GC', F / ! SO2\n DATA CGRID_INDEX( 15 ), SPECIES_TYPE( 15 ), CONVERT_CONC( 15 ) / 15, 'GC', F / ! SULF\n DATA CGRID_INDEX( 16 ), SPECIES_TYPE( 16 ), CONVERT_CONC( 16 ) / 16, 'GC', F / ! SULRXN\n DATA CGRID_INDEX( 17 ), SPECIES_TYPE( 17 ), CONVERT_CONC( 17 ) / 17, 'GC', F / ! C2O3\n DATA CGRID_INDEX( 18 ), SPECIES_TYPE( 18 ), CONVERT_CONC( 18 ) / 18, 'GC', F / ! MEO2\n DATA CGRID_INDEX( 19 ), SPECIES_TYPE( 19 ), CONVERT_CONC( 19 ) / 19, 'GC', F / ! RO2\n DATA CGRID_INDEX( 20 ), SPECIES_TYPE( 20 ), CONVERT_CONC( 20 ) / 20, 'GC', F / ! PAN\n DATA CGRID_INDEX( 21 ), SPECIES_TYPE( 21 ), CONVERT_CONC( 21 ) / 21, 'GC', F / ! PACD\n DATA CGRID_INDEX( 22 ), SPECIES_TYPE( 22 ), CONVERT_CONC( 22 ) / 22, 'GC', F / ! AACD\n DATA CGRID_INDEX( 23 ), SPECIES_TYPE( 23 ), CONVERT_CONC( 23 ) / 23, 'GC', F / ! CXO3\n DATA CGRID_INDEX( 24 ), SPECIES_TYPE( 24 ), CONVERT_CONC( 24 ) / 24, 'GC', F / ! ALD2\n DATA CGRID_INDEX( 25 ), SPECIES_TYPE( 25 ), CONVERT_CONC( 25 ) / 25, 'GC', F / ! XO2H\n DATA CGRID_INDEX( 26 ), SPECIES_TYPE( 26 ), CONVERT_CONC( 26 ) / 26, 'GC', F / ! PANX\n DATA CGRID_INDEX( 27 ), SPECIES_TYPE( 27 ), CONVERT_CONC( 27 ) / 27, 'GC', F / ! FORM\n DATA CGRID_INDEX( 28 ), SPECIES_TYPE( 28 ), CONVERT_CONC( 28 ) / 28, 'GC', F / ! MEPX\n DATA CGRID_INDEX( 29 ), SPECIES_TYPE( 29 ), CONVERT_CONC( 29 ) / 29, 'GC', F / ! MEOH\n DATA CGRID_INDEX( 30 ), SPECIES_TYPE( 30 ), CONVERT_CONC( 30 ) / 30, 'GC', F / ! ROOH\n DATA CGRID_INDEX( 31 ), SPECIES_TYPE( 31 ), CONVERT_CONC( 31 ) / 31, 'GC', F / ! XO2\n DATA CGRID_INDEX( 32 ), SPECIES_TYPE( 32 ), CONVERT_CONC( 32 ) / 32, 'GC', F / ! XO2N\n DATA CGRID_INDEX( 33 ), SPECIES_TYPE( 33 ), CONVERT_CONC( 33 ) / 35, 'GC', F / ! NTR1\n DATA CGRID_INDEX( 34 ), SPECIES_TYPE( 34 ), CONVERT_CONC( 34 ) / 36, 'GC', F / ! NTR2\n DATA CGRID_INDEX( 35 ), SPECIES_TYPE( 35 ), CONVERT_CONC( 35 ) / 37, 'GC', F / ! FACD\n DATA CGRID_INDEX( 36 ), SPECIES_TYPE( 36 ), CONVERT_CONC( 36 ) / 38, 'GC', F / ! CO\n DATA CGRID_INDEX( 37 ), SPECIES_TYPE( 37 ), CONVERT_CONC( 37 ) / 39, 'GC', F / ! HCO3\n DATA CGRID_INDEX( 38 ), SPECIES_TYPE( 38 ), CONVERT_CONC( 38 ) / 40, 'GC', F / ! ALDX\n DATA CGRID_INDEX( 39 ), SPECIES_TYPE( 39 ), CONVERT_CONC( 39 ) / 41, 'GC', F / ! GLYD\n DATA CGRID_INDEX( 40 ), SPECIES_TYPE( 40 ), CONVERT_CONC( 40 ) / 42, 'GC', F / ! GLY\n DATA CGRID_INDEX( 41 ), SPECIES_TYPE( 41 ), CONVERT_CONC( 41 ) / 43, 'GC', F / ! MGLY\n DATA CGRID_INDEX( 42 ), SPECIES_TYPE( 42 ), CONVERT_CONC( 42 ) / 44, 'GC', F / ! ETHA\n DATA CGRID_INDEX( 43 ), SPECIES_TYPE( 43 ), CONVERT_CONC( 43 ) / 45, 'GC', F / ! ETOH\n DATA CGRID_INDEX( 44 ), SPECIES_TYPE( 44 ), CONVERT_CONC( 44 ) / 46, 'GC', F / ! KET\n DATA CGRID_INDEX( 45 ), SPECIES_TYPE( 45 ), CONVERT_CONC( 45 ) / 47, 'GC', F / ! PAR\n DATA CGRID_INDEX( 46 ), SPECIES_TYPE( 46 ), CONVERT_CONC( 46 ) / 48, 'GC', F / ! ACET\n DATA CGRID_INDEX( 47 ), SPECIES_TYPE( 47 ), CONVERT_CONC( 47 ) / 49, 'GC', F / ! PRPA\n DATA CGRID_INDEX( 48 ), SPECIES_TYPE( 48 ), CONVERT_CONC( 48 ) / 34, 'GC', F / ! XPRP\n DATA CGRID_INDEX( 49 ), SPECIES_TYPE( 49 ), CONVERT_CONC( 49 ) / 33, 'GC', F / ! XPAR\n DATA CGRID_INDEX( 50 ), SPECIES_TYPE( 50 ), CONVERT_CONC( 50 ) / 50, 'GC', F / ! ROR\n DATA CGRID_INDEX( 51 ), SPECIES_TYPE( 51 ), CONVERT_CONC( 51 ) / 51, 'GC', F / ! ETHY\n DATA CGRID_INDEX( 52 ), SPECIES_TYPE( 52 ), CONVERT_CONC( 52 ) / 52, 'GC', F / ! ETH\n DATA CGRID_INDEX( 53 ), SPECIES_TYPE( 53 ), CONVERT_CONC( 53 ) / 53, 'GC', F / ! OLE\n DATA CGRID_INDEX( 54 ), SPECIES_TYPE( 54 ), CONVERT_CONC( 54 ) / 54, 'GC', F / ! IOLE\n DATA CGRID_INDEX( 55 ), SPECIES_TYPE( 55 ), CONVERT_CONC( 55 ) / 55, 'GC', F / ! ISOP\n DATA CGRID_INDEX( 56 ), SPECIES_TYPE( 56 ), CONVERT_CONC( 56 ) / 56, 'GC', F / ! ISO2\n DATA CGRID_INDEX( 57 ), SPECIES_TYPE( 57 ), CONVERT_CONC( 57 ) / 57, 'GC', F / ! ISOPRXN\n DATA CGRID_INDEX( 58 ), SPECIES_TYPE( 58 ), CONVERT_CONC( 58 ) / 58, 'GC', F / ! ISPD\n DATA CGRID_INDEX( 59 ), SPECIES_TYPE( 59 ), CONVERT_CONC( 59 ) / 59, 'GC', F / ! INTR\n DATA CGRID_INDEX( 60 ), SPECIES_TYPE( 60 ), CONVERT_CONC( 60 ) / 60, 'GC', F / ! ISPX\n DATA CGRID_INDEX( 61 ), SPECIES_TYPE( 61 ), CONVERT_CONC( 61 ) / 61, 'GC', F / ! HPLD\n DATA CGRID_INDEX( 62 ), SPECIES_TYPE( 62 ), CONVERT_CONC( 62 ) / 62, 'GC', F / ! OPO3\n DATA CGRID_INDEX( 63 ), SPECIES_TYPE( 63 ), CONVERT_CONC( 63 ) / 63, 'GC', F / ! EPOX\n DATA CGRID_INDEX( 64 ), SPECIES_TYPE( 64 ), CONVERT_CONC( 64 ) / 65, 'GC', F / ! EPX2\n DATA CGRID_INDEX( 65 ), SPECIES_TYPE( 65 ), CONVERT_CONC( 65 ) / 66, 'GC', F / ! TERP\n DATA CGRID_INDEX( 66 ), SPECIES_TYPE( 66 ), CONVERT_CONC( 66 ) / 70, 'GC', F / ! TRPRXN\n DATA CGRID_INDEX( 67 ), SPECIES_TYPE( 67 ), CONVERT_CONC( 67 ) / 68, 'GC', F / ! TERPNRO2\n DATA CGRID_INDEX( 68 ), SPECIES_TYPE( 68 ), CONVERT_CONC( 68 ) / 67, 'GC', F / ! APIN\n DATA CGRID_INDEX( 69 ), SPECIES_TYPE( 69 ), CONVERT_CONC( 69 ) / 71, 'GC', F / ! BENZENE\n DATA CGRID_INDEX( 70 ), SPECIES_TYPE( 70 ), CONVERT_CONC( 70 ) / 72, 'GC', F / ! CRES\n DATA CGRID_INDEX( 71 ), SPECIES_TYPE( 71 ), CONVERT_CONC( 71 ) / 73, 'GC', F / ! BZO2\n DATA CGRID_INDEX( 72 ), SPECIES_TYPE( 72 ), CONVERT_CONC( 72 ) / 74, 'GC', F / ! OPEN\n DATA CGRID_INDEX( 73 ), SPECIES_TYPE( 73 ), CONVERT_CONC( 73 ) / 75, 'GC', F / ! BENZRO2\n DATA CGRID_INDEX( 74 ), SPECIES_TYPE( 74 ), CONVERT_CONC( 74 ) / 76, 'GC', F / ! TOL\n DATA CGRID_INDEX( 75 ), SPECIES_TYPE( 75 ), CONVERT_CONC( 75 ) / 77, 'GC', F / ! TO2\n DATA CGRID_INDEX( 76 ), SPECIES_TYPE( 76 ), CONVERT_CONC( 76 ) / 78, 'GC', F / ! TOLRO2\n DATA CGRID_INDEX( 77 ), SPECIES_TYPE( 77 ), CONVERT_CONC( 77 ) / 79, 'GC', F / ! XOPN\n DATA CGRID_INDEX( 78 ), SPECIES_TYPE( 78 ), CONVERT_CONC( 78 ) / 80, 'GC', F / ! XYLMN\n DATA CGRID_INDEX( 79 ), SPECIES_TYPE( 79 ), CONVERT_CONC( 79 ) / 81, 'GC', F / ! XLO2\n DATA CGRID_INDEX( 80 ), SPECIES_TYPE( 80 ), CONVERT_CONC( 80 ) / 82, 'GC', F / ! XYLRO2\n DATA CGRID_INDEX( 81 ), SPECIES_TYPE( 81 ), CONVERT_CONC( 81 ) / 83, 'GC', F / ! NAPH\n DATA CGRID_INDEX( 82 ), SPECIES_TYPE( 82 ), CONVERT_CONC( 82 ) / 84, 'GC', F / ! PAHRO2\n DATA CGRID_INDEX( 83 ), SPECIES_TYPE( 83 ), CONVERT_CONC( 83 ) / 85, 'GC', F / ! CRO\n DATA CGRID_INDEX( 84 ), SPECIES_TYPE( 84 ), CONVERT_CONC( 84 ) / 86, 'GC', F / ! CAT1\n DATA CGRID_INDEX( 85 ), SPECIES_TYPE( 85 ), CONVERT_CONC( 85 ) / 87, 'GC', F / ! CRON\n DATA CGRID_INDEX( 86 ), SPECIES_TYPE( 86 ), CONVERT_CONC( 86 ) / 88, 'GC', F / ! OPAN\n DATA CGRID_INDEX( 87 ), SPECIES_TYPE( 87 ), CONVERT_CONC( 87 ) / 89, 'GC', F / ! ECH4\n DATA CGRID_INDEX( 88 ), SPECIES_TYPE( 88 ), CONVERT_CONC( 88 ) / 90, 'GC', F / ! CL2\n DATA CGRID_INDEX( 89 ), SPECIES_TYPE( 89 ), CONVERT_CONC( 89 ) / 91, 'GC', F / ! CL\n DATA CGRID_INDEX( 90 ), SPECIES_TYPE( 90 ), CONVERT_CONC( 90 ) / 92, 'GC', F / ! HOCL\n DATA CGRID_INDEX( 91 ), SPECIES_TYPE( 91 ), CONVERT_CONC( 91 ) / 93, 'GC', F / ! CLO\n DATA CGRID_INDEX( 92 ), SPECIES_TYPE( 92 ), CONVERT_CONC( 92 ) / 94, 'GC', F / ! FMCL\n DATA CGRID_INDEX( 93 ), SPECIES_TYPE( 93 ), CONVERT_CONC( 93 ) / 95, 'GC', F / ! HCL\n DATA CGRID_INDEX( 94 ), SPECIES_TYPE( 94 ), CONVERT_CONC( 94 ) / 96, 'GC', F / ! CLNO2\n DATA CGRID_INDEX( 95 ), SPECIES_TYPE( 95 ), CONVERT_CONC( 95 ) / 97, 'GC', F / ! CLNO3\n DATA CGRID_INDEX( 96 ), SPECIES_TYPE( 96 ), CONVERT_CONC( 96 ) / 125, 'GC', F / ! SVAVB2\n DATA CGRID_INDEX( 97 ), SPECIES_TYPE( 97 ), CONVERT_CONC( 97 ) / 126, 'GC', F / ! SVAVB3\n DATA CGRID_INDEX( 98 ), SPECIES_TYPE( 98 ), CONVERT_CONC( 98 ) / 127, 'GC', F / ! SVAVB4\n DATA CGRID_INDEX( 99 ), SPECIES_TYPE( 99 ), CONVERT_CONC( 99 ) / 124, 'GC', F / ! SVAVB1\n DATA CGRID_INDEX( 100 ), SPECIES_TYPE( 100 ), CONVERT_CONC( 100 ) / 98, 'GC', F / ! SESQ\n DATA CGRID_INDEX( 101 ), SPECIES_TYPE( 101 ), CONVERT_CONC( 101 ) / 99, 'GC', F / ! SESQRXN\n DATA CGRID_INDEX( 102 ), SPECIES_TYPE( 102 ), CONVERT_CONC( 102 ) / 100, 'GC', F / ! SOAALK\n DATA CGRID_INDEX( 103 ), SPECIES_TYPE( 103 ), CONVERT_CONC( 103 ) / 101, 'GC', F / ! H2NO3PIJ\n DATA CGRID_INDEX( 104 ), SPECIES_TYPE( 104 ), CONVERT_CONC( 104 ) / 102, 'GC', F / ! H2NO3PK\n DATA CGRID_INDEX( 105 ), SPECIES_TYPE( 105 ), CONVERT_CONC( 105 ) / 174, 'AE', T / ! ACLI\n DATA CGRID_INDEX( 106 ), SPECIES_TYPE( 106 ), CONVERT_CONC( 106 ) / 175, 'AE', T / ! ACLJ\n DATA CGRID_INDEX( 107 ), SPECIES_TYPE( 107 ), CONVERT_CONC( 107 ) / 176, 'AE', T / ! ACLK\n DATA CGRID_INDEX( 108 ), SPECIES_TYPE( 108 ), CONVERT_CONC( 108 ) / 64, 'GC', F / ! IEPOXP\n DATA CGRID_INDEX( 109 ), SPECIES_TYPE( 109 ), CONVERT_CONC( 109 ) / 164, 'AE', T / ! ASO4J\n DATA CGRID_INDEX( 110 ), SPECIES_TYPE( 110 ), CONVERT_CONC( 110 ) / 209, 'AE', T / ! AISO3J\n DATA CGRID_INDEX( 111 ), SPECIES_TYPE( 111 ), CONVERT_CONC( 111 ) / 212, 'AE', T / ! AGLYJ\n DATA CGRID_INDEX( 112 ), SPECIES_TYPE( 112 ), CONVERT_CONC( 112 ) / 69, 'GC', F / ! MTNO3\n DATA CGRID_INDEX( 113 ), SPECIES_TYPE( 113 ), CONVERT_CONC( 113 ) / 213, 'AE', T / ! AMTNO3J\n DATA CGRID_INDEX( 114 ), SPECIES_TYPE( 114 ), CONVERT_CONC( 114 ) / 214, 'AE', T / ! AMTHYDJ\n DATA CGRID_INDEX( 115 ), SPECIES_TYPE( 115 ), CONVERT_CONC( 115 ) / 238, 'AE', T / ! AAVB2J\n DATA CGRID_INDEX( 116 ), SPECIES_TYPE( 116 ), CONVERT_CONC( 116 ) / 210, 'AE', T / ! AOLGAJ\n DATA CGRID_INDEX( 117 ), SPECIES_TYPE( 117 ), CONVERT_CONC( 117 ) / 239, 'AE', T / ! AAVB3J\n DATA CGRID_INDEX( 118 ), SPECIES_TYPE( 118 ), CONVERT_CONC( 118 ) / 240, 'AE', T / ! AAVB4J\n DATA CGRID_INDEX( 119 ), SPECIES_TYPE( 119 ), CONVERT_CONC( 119 ) / 177, 'AE', T / ! AISO1J\n DATA CGRID_INDEX( 120 ), SPECIES_TYPE( 120 ), CONVERT_CONC( 120 ) / 211, 'AE', T / ! AOLGBJ\n DATA CGRID_INDEX( 121 ), SPECIES_TYPE( 121 ), CONVERT_CONC( 121 ) / 178, 'AE', T / ! AISO2J\n DATA CGRID_INDEX( 122 ), SPECIES_TYPE( 122 ), CONVERT_CONC( 122 ) / 179, 'AE', T / ! ASQTJ\n DATA CGRID_INDEX( 123 ), SPECIES_TYPE( 123 ), CONVERT_CONC( 123 ) / 215, 'AE', T / ! APOCI\n DATA CGRID_INDEX( 124 ), SPECIES_TYPE( 124 ), CONVERT_CONC( 124 ) / 217, 'AE', T / ! APNCOMI\n DATA CGRID_INDEX( 125 ), SPECIES_TYPE( 125 ), CONVERT_CONC( 125 ) / 216, 'AE', T / ! APOCJ\n DATA CGRID_INDEX( 126 ), SPECIES_TYPE( 126 ), CONVERT_CONC( 126 ) / 218, 'AE', T / ! APNCOMJ\n DATA CGRID_INDEX( 127 ), SPECIES_TYPE( 127 ), CONVERT_CONC( 127 ) / 113, 'GC', F / ! PCVOC\n DATA CGRID_INDEX( 128 ), SPECIES_TYPE( 128 ), CONVERT_CONC( 128 ) / 114, 'GC', F / ! PCSOARXN\n DATA CGRID_INDEX( 129 ), SPECIES_TYPE( 129 ), CONVERT_CONC( 129 ) / 103, 'GC', F / ! VLVPO1\n DATA CGRID_INDEX( 130 ), SPECIES_TYPE( 130 ), CONVERT_CONC( 130 ) / 104, 'GC', F / ! VSVPO1\n DATA CGRID_INDEX( 131 ), SPECIES_TYPE( 131 ), CONVERT_CONC( 131 ) / 105, 'GC', F / ! VSVPO2\n DATA CGRID_INDEX( 132 ), SPECIES_TYPE( 132 ), CONVERT_CONC( 132 ) / 106, 'GC', F / ! VSVPO3\n DATA CGRID_INDEX( 133 ), SPECIES_TYPE( 133 ), CONVERT_CONC( 133 ) / 107, 'GC', F / ! VIVPO1\n DATA CGRID_INDEX( 134 ), SPECIES_TYPE( 134 ), CONVERT_CONC( 134 ) / 108, 'GC', F / ! VLVOO1\n DATA CGRID_INDEX( 135 ), SPECIES_TYPE( 135 ), CONVERT_CONC( 135 ) / 109, 'GC', F / ! VLVOO2\n DATA CGRID_INDEX( 136 ), SPECIES_TYPE( 136 ), CONVERT_CONC( 136 ) / 111, 'GC', F / ! VSVOO2\n DATA CGRID_INDEX( 137 ), SPECIES_TYPE( 137 ), CONVERT_CONC( 137 ) / 112, 'GC', F / ! VSVOO3\n DATA CGRID_INDEX( 138 ), SPECIES_TYPE( 138 ), CONVERT_CONC( 138 ) / 110, 'GC', F / ! VSVOO1\n DATA CGRID_INDEX( 139 ), SPECIES_TYPE( 139 ), CONVERT_CONC( 139 ) / 115, 'GC', F / ! FORM_PRIMARY\n DATA CGRID_INDEX( 140 ), SPECIES_TYPE( 140 ), CONVERT_CONC( 140 ) / 116, 'GC', F / ! ALD2_PRIMARY\n DATA CGRID_INDEX( 141 ), SPECIES_TYPE( 141 ), CONVERT_CONC( 141 ) / 117, 'GC', F / ! BUTADIENE13\n DATA CGRID_INDEX( 142 ), SPECIES_TYPE( 142 ), CONVERT_CONC( 142 ) / 118, 'GC', F / ! ACROLEIN\n DATA CGRID_INDEX( 143 ), SPECIES_TYPE( 143 ), CONVERT_CONC( 143 ) / 119, 'GC', F / ! ACRO_PRIMARY\n DATA CGRID_INDEX( 144 ), SPECIES_TYPE( 144 ), CONVERT_CONC( 144 ) / 120, 'GC', F / ! TOLU\n DATA CGRID_INDEX( 145 ), SPECIES_TYPE( 145 ), CONVERT_CONC( 145 ) / 121, 'GC', F / ! HG\n DATA CGRID_INDEX( 146 ), SPECIES_TYPE( 146 ), CONVERT_CONC( 146 ) / 122, 'GC', F / ! HGIIAER\n DATA CGRID_INDEX( 147 ), SPECIES_TYPE( 147 ), CONVERT_CONC( 147 ) / 123, 'GC', F / ! HGIIGAS\n DATA CGRID_INDEX( 148 ), SPECIES_TYPE( 148 ), CONVERT_CONC( 148 ) / 128, 'GC', F / ! BR\n DATA CGRID_INDEX( 149 ), SPECIES_TYPE( 149 ), CONVERT_CONC( 149 ) / 129, 'GC', F / ! BRO\n DATA CGRID_INDEX( 150 ), SPECIES_TYPE( 150 ), CONVERT_CONC( 150 ) / 130, 'GC', F / ! HOBR\n DATA CGRID_INDEX( 151 ), SPECIES_TYPE( 151 ), CONVERT_CONC( 151 ) / 131, 'GC', F / ! HBR\n DATA CGRID_INDEX( 152 ), SPECIES_TYPE( 152 ), CONVERT_CONC( 152 ) / 132, 'GC', F / ! BR2\n DATA CGRID_INDEX( 153 ), SPECIES_TYPE( 153 ), CONVERT_CONC( 153 ) / 133, 'GC', F / ! BRNO3\n DATA CGRID_INDEX( 154 ), SPECIES_TYPE( 154 ), CONVERT_CONC( 154 ) / 134, 'GC', F / ! BRNO2\n DATA CGRID_INDEX( 155 ), SPECIES_TYPE( 155 ), CONVERT_CONC( 155 ) / 135, 'GC', F / ! FMBR\n DATA CGRID_INDEX( 156 ), SPECIES_TYPE( 156 ), CONVERT_CONC( 156 ) / 136, 'GC', F / ! MB3\n DATA CGRID_INDEX( 157 ), SPECIES_TYPE( 157 ), CONVERT_CONC( 157 ) / 137, 'GC', F / ! MB2\n DATA CGRID_INDEX( 158 ), SPECIES_TYPE( 158 ), CONVERT_CONC( 158 ) / 138, 'GC', F / ! MB2C\n DATA CGRID_INDEX( 159 ), SPECIES_TYPE( 159 ), CONVERT_CONC( 159 ) / 139, 'GC', F / ! MBC2\n DATA CGRID_INDEX( 160 ), SPECIES_TYPE( 160 ), CONVERT_CONC( 160 ) / 140, 'GC', F / ! MBC\n DATA CGRID_INDEX( 161 ), SPECIES_TYPE( 161 ), CONVERT_CONC( 161 ) / 141, 'GC', F / ! DMS\n DATA CGRID_INDEX( 162 ), SPECIES_TYPE( 162 ), CONVERT_CONC( 162 ) / 142, 'GC', F / ! MSA\n DATA CGRID_INDEX( 163 ), SPECIES_TYPE( 163 ), CONVERT_CONC( 163 ) / 143, 'GC', F / ! BRCL\n DATA CGRID_INDEX( 164 ), SPECIES_TYPE( 164 ), CONVERT_CONC( 164 ) / 247, 'AE', T / ! ABRJ\n DATA CGRID_INDEX( 165 ), SPECIES_TYPE( 165 ), CONVERT_CONC( 165 ) / 144, 'GC', F / ! I\n DATA CGRID_INDEX( 166 ), SPECIES_TYPE( 166 ), CONVERT_CONC( 166 ) / 145, 'GC', F / ! IO\n DATA CGRID_INDEX( 167 ), SPECIES_TYPE( 167 ), CONVERT_CONC( 167 ) / 146, 'GC', F / ! HI\n DATA CGRID_INDEX( 168 ), SPECIES_TYPE( 168 ), CONVERT_CONC( 168 ) / 147, 'GC', F / ! I2\n DATA CGRID_INDEX( 169 ), SPECIES_TYPE( 169 ), CONVERT_CONC( 169 ) / 148, 'GC', F / ! HOI\n DATA CGRID_INDEX( 170 ), SPECIES_TYPE( 170 ), CONVERT_CONC( 170 ) / 149, 'GC', F / ! INO\n DATA CGRID_INDEX( 171 ), SPECIES_TYPE( 171 ), CONVERT_CONC( 171 ) / 150, 'GC', F / ! INO2\n DATA CGRID_INDEX( 172 ), SPECIES_TYPE( 172 ), CONVERT_CONC( 172 ) / 151, 'GC', F / ! INO3\n DATA CGRID_INDEX( 173 ), SPECIES_TYPE( 173 ), CONVERT_CONC( 173 ) / 152, 'GC', F / ! OIO\n DATA CGRID_INDEX( 174 ), SPECIES_TYPE( 174 ), CONVERT_CONC( 174 ) / 153, 'GC', F / ! I2O4\n DATA CGRID_INDEX( 175 ), SPECIES_TYPE( 175 ), CONVERT_CONC( 175 ) / 154, 'GC', F / ! I2O2\n DATA CGRID_INDEX( 176 ), SPECIES_TYPE( 176 ), CONVERT_CONC( 176 ) / 155, 'GC', F / ! I2O3\n DATA CGRID_INDEX( 177 ), SPECIES_TYPE( 177 ), CONVERT_CONC( 177 ) / 156, 'GC', F / ! CH3I\n DATA CGRID_INDEX( 178 ), SPECIES_TYPE( 178 ), CONVERT_CONC( 178 ) / 157, 'GC', F / ! ICL\n DATA CGRID_INDEX( 179 ), SPECIES_TYPE( 179 ), CONVERT_CONC( 179 ) / 158, 'GC', F / ! IBR\n DATA CGRID_INDEX( 180 ), SPECIES_TYPE( 180 ), CONVERT_CONC( 180 ) / 159, 'GC', F / ! MI2\n DATA CGRID_INDEX( 181 ), SPECIES_TYPE( 181 ), CONVERT_CONC( 181 ) / 160, 'GC', F / ! MIB\n DATA CGRID_INDEX( 182 ), SPECIES_TYPE( 182 ), CONVERT_CONC( 182 ) / 161, 'GC', F / ! MIC\n\n! The below integers define the locations of mechanism species in the solver\n! concentration array.\n\n INTEGER :: INDEX_NO2 = 1\n INTEGER :: INDEX_NO = 2\n INTEGER :: INDEX_O = 3\n INTEGER :: INDEX_O3 = 4\n INTEGER :: INDEX_NO3 = 5\n INTEGER :: INDEX_O1D = 6\n INTEGER :: INDEX_OH = 7\n INTEGER :: INDEX_HO2 = 8\n INTEGER :: INDEX_H2O2 = 9\n INTEGER :: INDEX_N2O5 = 10\n INTEGER :: INDEX_HNO3 = 11\n INTEGER :: INDEX_HONO = 12\n INTEGER :: INDEX_PNA = 13\n INTEGER :: INDEX_SO2 = 14\n INTEGER :: INDEX_SULF = 15\n INTEGER :: INDEX_SULRXN = 16\n INTEGER :: INDEX_C2O3 = 17\n INTEGER :: INDEX_MEO2 = 18\n INTEGER :: INDEX_RO2 = 19\n INTEGER :: INDEX_PAN = 20\n INTEGER :: INDEX_PACD = 21\n INTEGER :: INDEX_AACD = 22\n INTEGER :: INDEX_CXO3 = 23\n INTEGER :: INDEX_ALD2 = 24\n INTEGER :: INDEX_XO2H = 25\n INTEGER :: INDEX_PANX = 26\n INTEGER :: INDEX_FORM = 27\n INTEGER :: INDEX_MEPX = 28\n INTEGER :: INDEX_MEOH = 29\n INTEGER :: INDEX_ROOH = 30\n INTEGER :: INDEX_XO2 = 31\n INTEGER :: INDEX_XO2N = 32\n INTEGER :: INDEX_NTR1 = 33\n INTEGER :: INDEX_NTR2 = 34\n INTEGER :: INDEX_FACD = 35\n INTEGER :: INDEX_CO = 36\n INTEGER :: INDEX_HCO3 = 37\n INTEGER :: INDEX_ALDX = 38\n INTEGER :: INDEX_GLYD = 39\n INTEGER :: INDEX_GLY = 40\n INTEGER :: INDEX_MGLY = 41\n INTEGER :: INDEX_ETHA = 42\n INTEGER :: INDEX_ETOH = 43\n INTEGER :: INDEX_KET = 44\n INTEGER :: INDEX_PAR = 45\n INTEGER :: INDEX_ACET = 46\n INTEGER :: INDEX_PRPA = 47\n INTEGER :: INDEX_XPRP = 48\n INTEGER :: INDEX_XPAR = 49\n INTEGER :: INDEX_ROR = 50\n INTEGER :: INDEX_ETHY = 51\n INTEGER :: INDEX_ETH = 52\n INTEGER :: INDEX_OLE = 53\n INTEGER :: INDEX_IOLE = 54\n INTEGER :: INDEX_ISOP = 55\n INTEGER :: INDEX_ISO2 = 56\n INTEGER :: INDEX_ISOPRXN = 57\n INTEGER :: INDEX_ISPD = 58\n INTEGER :: INDEX_INTR = 59\n INTEGER :: INDEX_ISPX = 60\n INTEGER :: INDEX_HPLD = 61\n INTEGER :: INDEX_OPO3 = 62\n INTEGER :: INDEX_EPOX = 63\n INTEGER :: INDEX_EPX2 = 64\n INTEGER :: INDEX_TERP = 65\n INTEGER :: INDEX_TRPRXN = 66\n INTEGER :: INDEX_TERPNRO2 = 67\n INTEGER :: INDEX_APIN = 68\n INTEGER :: INDEX_BENZENE = 69\n INTEGER :: INDEX_CRES = 70\n INTEGER :: INDEX_BZO2 = 71\n INTEGER :: INDEX_OPEN = 72\n INTEGER :: INDEX_BENZRO2 = 73\n INTEGER :: INDEX_TOL = 74\n INTEGER :: INDEX_TO2 = 75\n INTEGER :: INDEX_TOLRO2 = 76\n INTEGER :: INDEX_XOPN = 77\n INTEGER :: INDEX_XYLMN = 78\n INTEGER :: INDEX_XLO2 = 79\n INTEGER :: INDEX_XYLRO2 = 80\n INTEGER :: INDEX_NAPH = 81\n INTEGER :: INDEX_PAHRO2 = 82\n INTEGER :: INDEX_CRO = 83\n INTEGER :: INDEX_CAT1 = 84\n INTEGER :: INDEX_CRON = 85\n INTEGER :: INDEX_OPAN = 86\n INTEGER :: INDEX_ECH4 = 87\n INTEGER :: INDEX_CL2 = 88\n INTEGER :: INDEX_CL = 89\n INTEGER :: INDEX_HOCL = 90\n INTEGER :: INDEX_CLO = 91\n INTEGER :: INDEX_FMCL = 92\n INTEGER :: INDEX_HCL = 93\n INTEGER :: INDEX_CLNO2 = 94\n INTEGER :: INDEX_CLNO3 = 95\n INTEGER :: INDEX_SVAVB2 = 96\n INTEGER :: INDEX_SVAVB3 = 97\n INTEGER :: INDEX_SVAVB4 = 98\n INTEGER :: INDEX_SVAVB1 = 99\n INTEGER :: INDEX_SESQ = 100\n INTEGER :: INDEX_SESQRXN = 101\n INTEGER :: INDEX_SOAALK = 102\n INTEGER :: INDEX_H2NO3PIJ = 103\n INTEGER :: INDEX_H2NO3PK = 104\n INTEGER :: INDEX_ACLI = 105\n INTEGER :: INDEX_ACLJ = 106\n INTEGER :: INDEX_ACLK = 107\n INTEGER :: INDEX_IEPOXP = 108\n INTEGER :: INDEX_ASO4J = 109\n INTEGER :: INDEX_AISO3J = 110\n INTEGER :: INDEX_AGLYJ = 111\n INTEGER :: INDEX_MTNO3 = 112\n INTEGER :: INDEX_AMTNO3J = 113\n INTEGER :: INDEX_AMTHYDJ = 114\n INTEGER :: INDEX_AAVB2J = 115\n INTEGER :: INDEX_AOLGAJ = 116\n INTEGER :: INDEX_AAVB3J = 117\n INTEGER :: INDEX_AAVB4J = 118\n INTEGER :: INDEX_AISO1J = 119\n INTEGER :: INDEX_AOLGBJ = 120\n INTEGER :: INDEX_AISO2J = 121\n INTEGER :: INDEX_ASQTJ = 122\n INTEGER :: INDEX_APOCI = 123\n INTEGER :: INDEX_APNCOMI = 124\n INTEGER :: INDEX_APOCJ = 125\n INTEGER :: INDEX_APNCOMJ = 126\n INTEGER :: INDEX_PCVOC = 127\n INTEGER :: INDEX_PCSOARXN = 128\n INTEGER :: INDEX_VLVPO1 = 129\n INTEGER :: INDEX_VSVPO1 = 130\n INTEGER :: INDEX_VSVPO2 = 131\n INTEGER :: INDEX_VSVPO3 = 132\n INTEGER :: INDEX_VIVPO1 = 133\n INTEGER :: INDEX_VLVOO1 = 134\n INTEGER :: INDEX_VLVOO2 = 135\n INTEGER :: INDEX_VSVOO2 = 136\n INTEGER :: INDEX_VSVOO3 = 137\n INTEGER :: INDEX_VSVOO1 = 138\n INTEGER :: INDEX_FORM_PRIMARY = 139\n INTEGER :: INDEX_ALD2_PRIMARY = 140\n INTEGER :: INDEX_BUTADIENE13 = 141\n INTEGER :: INDEX_ACROLEIN = 142\n INTEGER :: INDEX_ACRO_PRIMARY = 143\n INTEGER :: INDEX_TOLU = 144\n INTEGER :: INDEX_HG = 145\n INTEGER :: INDEX_HGIIAER = 146\n INTEGER :: INDEX_HGIIGAS = 147\n INTEGER :: INDEX_BR = 148\n INTEGER :: INDEX_BRO = 149\n INTEGER :: INDEX_HOBR = 150\n INTEGER :: INDEX_HBR = 151\n INTEGER :: INDEX_BR2 = 152\n INTEGER :: INDEX_BRNO3 = 153\n INTEGER :: INDEX_BRNO2 = 154\n INTEGER :: INDEX_FMBR = 155\n INTEGER :: INDEX_MB3 = 156\n INTEGER :: INDEX_MB2 = 157\n INTEGER :: INDEX_MB2C = 158\n INTEGER :: INDEX_MBC2 = 159\n INTEGER :: INDEX_MBC = 160\n INTEGER :: INDEX_DMS = 161\n INTEGER :: INDEX_MSA = 162\n INTEGER :: INDEX_BRCL = 163\n INTEGER :: INDEX_ABRJ = 164\n INTEGER :: INDEX_I = 165\n INTEGER :: INDEX_IO = 166\n INTEGER :: INDEX_HI = 167\n INTEGER :: INDEX_I2 = 168\n INTEGER :: INDEX_HOI = 169\n INTEGER :: INDEX_INO = 170\n INTEGER :: INDEX_INO2 = 171\n INTEGER :: INDEX_INO3 = 172\n INTEGER :: INDEX_OIO = 173\n INTEGER :: INDEX_I2O4 = 174\n INTEGER :: INDEX_I2O2 = 175\n INTEGER :: INDEX_I2O3 = 176\n INTEGER :: INDEX_CH3I = 177\n INTEGER :: INDEX_ICL = 178\n INTEGER :: INDEX_IBR = 179\n INTEGER :: INDEX_MI2 = 180\n INTEGER :: INDEX_MIB = 181\n INTEGER :: INDEX_MIC = 182\n\n INTEGER, PARAMETER :: N_ACT_SP = 182\n\n INTEGER, PARAMETER :: NRXNS = 453\n\n INTEGER, PARAMETER :: ONE_REACT_REACTIONS = 0\n\n INTEGER, PARAMETER :: TWO_REACT_REACTIONS = 0\n\n INTEGER, PARAMETER :: THREE_REACT_REACTIONS = 0\n\n INTEGER, PARAMETER :: ZERO_REACT_REACTIONS = 0\n\n LOGICAL, PARAMETER :: UNITARY_REACTIONS = .FALSE.\n\n INTEGER, PARAMETER :: ONE_REACT_START = 0\n\n INTEGER, PARAMETER :: ONE_REACT_STOP = -1\n\n LOGICAL, PARAMETER :: BINARY_REACTIONS = .FALSE.\n\n INTEGER, PARAMETER :: TWO_REACT_START = 0\n\n INTEGER, PARAMETER :: TWO_REACT_STOP = -1\n\n LOGICAL, PARAMETER :: TERNARY_REACTIONS = .FALSE.\n\n INTEGER, PARAMETER :: THREE_REACT_START = 0\n\n INTEGER, PARAMETER :: THREE_REACT_STOP = -1\n\n LOGICAL, PARAMETER :: NULL_REACTIONS = .FALSE.\n\n INTEGER, PARAMETER :: ZERO_REACT_START = 0\n\n INTEGER, PARAMETER :: ZERO_REACT_STOP = -1\n\n INTEGER, PARAMETER :: NSUNLIGHT_RXNS = 68\n\n INTEGER, PARAMETER :: NTHERMAL_RXNS = 385\n\n INTEGER, PARAMETER :: KUNITS = 2\n\n INTEGER :: IRXXN\n\n INTEGER, PARAMETER :: NMPHOT = 68\n INTEGER :: IPH( NMPHOT,3 )\n\n DATA ( IPH( IRXXN,1 ), IRXXN = 1, NMPHOT ) / & \n & 1, 8, 9, 21, 27, 28, 38, 43, 47, 50, & ! O \n & 56, 64, 88, 90, 92, 97, 98, 108, 112, 114, & ! 1 \n & 117, 119, 128, 129, 161, 163, 201, 202, 206, 226, & ! 2 \n & 227, 234, 252, 254, 255, 290, 316, 317, 322, 331, & ! 3 \n & 336, 371, 372, 373, 374, 375, 376, 377, 378, 379, & ! 4 \n & 380, 381, 419, 420, 421, 422, 423, 424, 425, 426, & ! 5 \n & 427, 428, 429, 430, 431, 432, 433, 434/ ! 6 \n\n DATA ( IPH( IRXXN,2 ), IRXXN = 1, NMPHOT ) / & \n & 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, & ! O \n & 11, 11, 12, 12, 13, 14, 15, 16, 17, 18, & ! 1 \n & 19, 20, 21, 22, 23, 24, 13, 1, 1, 25, & ! 2 \n & 26, 27, 28, 29, 30, 31, 14, 15, 16, 32, & ! 3 \n & 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, & ! 4 \n & 42, 43, 44, 45, 46, 47, 48, 49, 50, 50, & ! 5 \n & 50, 50, 51, 52, 53, 54, 55, 56/ ! 6 \n\n DATA ( IPH( IRXXN,3 ), IRXXN = 1, NMPHOT ) / & \n & 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, & ! O \n & 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, & ! 1 \n & 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, & ! 2 \n & 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, & ! 3 \n & 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, & ! 4 \n & 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, & ! 5 \n & 61, 62, 63, 64, 65, 66, 67, 68/ ! 6 \n\n REAL( 8 ) :: RTDAT( 3,NRXNS )\n\n INTEGER, PARAMETER :: NFALLOFF = 28\n REAL( 8 ) :: RFDAT( 5,NFALLOFF )\n\n INTEGER :: KTYPE( NRXNS )\n\n DATA ( KTYPE( IRXXN ), IRXXN = 1, NRXNS ) / & \n & 0, 2, 3, 10, 3, 10, 3, 0, 0, 3, & ! O \n & 1, 3, 4, 3, 3, 4, 10, 3, 9, 9, & ! 1 \n & 0, 1, 3, 3, 3, 3, 0, 0, 3, 3, & ! 2 \n & 1, 1, 1, 1, 3, 10, 10, 0, 1, 10, & ! 3 \n & 1, 1, 0, 3, 10, 8, 0, 10, 10, 0, & ! 4 \n & 3, 10, 3, 10, 10, 0, 3, 3, 3, 6, & ! 5 \n & 3, 6, 6, 0, 6, 6, 6, 3, 3, 3, & ! 6 \n & 3, 3, 3, 6, 3, 3, 6, 6, 6, 6, & ! 7 \n & 6, 6, 6, 6, 6, 6, 3, 0, 3, 0, & ! 8 \n & 1, 0, 1, 3, 3, 3, 0, 0, 3, 1, & ! 9 \n & 3, 3, 1, 3, 3, 3, 3, 0, 3, 3, & ! O \n & 1, 0, 1, 0, 6, 3, 0, 1, 0, 1, & ! 1 \n & 3, 3, 9, 3, 3, 3, 3, 0, 0, 3, & ! 2 \n & 3, 1, 3, 3, 3, 10, 3, 10, 3, 3, & ! 3 \n & 3, 10, 3, 3, 1, 3, 3, 1, 3, 1, & ! 4 \n & 3, 3, 6, 6, 3, 3, 3, 3, 3, 3, & ! 5 \n & 0, 3, 0, 3, 3, 3, 3, 6, 6, 1, & ! 6 \n & 1, 3, 3, 3, 1, 3, 3, 3, 3, 3, & ! 7 \n & 6, 3, 6, 3, 3, 6, 3, 6, 1, 1, & ! 8 \n & 3, 3, 6, 6, 3, 1, 1, 1, 1, 1, & ! 9 \n & 0, 0, 1, 3, 1, 0, 1, 3, 1, 1, & ! O \n & 1, 6, 6, 6, 6, 6, 6, 1, 1, 3, & ! 1 \n & 10, 1, 10, 1, 1, 0, 0, 3, 1, 3, & ! 2 \n & 3, 3, 1, 0, 3, 1, 1, 3, 1, 1, & ! 3 \n & 1, 1, 3, 1, 1, 1, 3, 4, 1, 1, & ! 4 \n & 1, 0, 10, 0, 0, -1, -1, 3, 3, 3, & ! 5 \n & 3, 3, 3, 1, 1, 1, 3, 3, 3, -1, & ! 6 \n & -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, & ! 7 \n & -1, -1, -1, 3, 3, 1, 1, 1, 1, 0, & ! 8 \n & 1, 1, 1, 1, 1, 1, 1, 1, -1, 1, & ! 9 \n & -1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! O \n & 1, 1, 3, 1, 3, 0, 0, 3, 3, 3, & ! 1 \n & 3, 0, 1, 3, 3, 1, 1, 1, 1, 1, & ! 2 \n & 0, 1, 1, 1, 1, 0, 1, 3, 1, 3, & ! 3 \n & 1, 1, 1, 3, 3, 3, 3, 3, 3, 3, & ! 4 \n & 3, 3, 3, 3, 3, 10, 10, 3, 3, 3, & ! 5 \n & 1, 1, 1, 3, 3, 3, 3, 3, 3, 3, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, -1, -1, -1, -1, -1, -1, -1, -1, -1, & ! 8 \n & 3, 3, 1, 3, 1, 3, 3, 3, 3, 1, & ! 9 \n & 3, 1, 1, 3, 3, 3, 3, 3, 3, 3, & ! O \n & 3, 3, 3, 10, 10, 10, 3, 3, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 2, 3, -1, -1, -1, -1, & ! 3 \n & -1, -1, -1, -1, -1, -1, -1, -1, 3, 10, & ! 4 \n & 3, 3, 3/ ! 5 \n\n INTEGER :: IRXBITS( NRXNS )\n\n DATA ( IRXBITS( IRXXN ), IRXXN = 1, NRXNS ) / & \n & 2, 276, 0, 1, 0, 1, 0, 2, 2, 260, & ! O \n & 8, 0, 0, 0, 0, 0, 1, 0, 0, 8, & ! 1 \n & 2, 0, 0, 16, 0, 0, 2, 2, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 1, 1, 2, 8, 1, & ! 3 \n & 8, 0, 2, 0, 1, 0, 2, 1, 1, 2, & ! 4 \n & 0, 1, 0, 1, 1, 2, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 2, 0, 2, & ! 8 \n & 0, 2, 0, 0, 0, 0, 2, 2, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, & ! O \n & 0, 2, 0, 2, 0, 0, 2, 0, 2, 0, & ! 1 \n & 0, 128, 0, 64, 0, 0, 0, 2, 2, 0, & ! 2 \n & 0, 0, 0, 16, 0, 1, 0, 1, 0, 0, & ! 3 \n & 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 2, 0, 2, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 2, 2, 0, 0, 0, 2, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 1, 0, 1, 0, 8, 2, 2, 0, 0, 0, & ! 2 \n & 0, 0, 0, 2, 64, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 2, 1, 2, 2, 1, 1, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, & ! 6 \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! 7 \n & 1, 1, 1, 0, 0, 0, 0, 0, 0, 2, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, & ! 9 \n & 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 2, 2, 0, 0, 0, & ! 1 \n & 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 2, 0, 0, 0, 0, 2, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 260, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 1, 1, 1, 0, 0, 2, 2, & ! 1 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 2 \n & 2, 2, 2, 2, 0, 0, 1, 1, 1, 1, & ! 3 \n & 1, 1, 1, 1, 1, 1, 1, 1, 0, 1, & ! 4 \n & 0, 0, 0/ ! 5 \n\n INTEGER, PARAMETER :: NTERMS_JACOB = 33124\n\n INTEGER, PARAMETER :: NSTEPS_JACOB = 906\n\n INTEGER :: IORDER( NRXNS )\n\n DATA ( IORDER( IRXXN ), IRXXN = 1, NRXNS ) / & \n & 1, 3, 2, 2, 2, 2, 2, 1, 1, 2, & ! O \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 3, & ! 1 \n & 1, 2, 2, 3, 2, 2, 1, 1, 2, 2, & ! 2 \n & 2, 2, 2, 2, 2, 2, 1, 1, 2, 2, & ! 3 \n & 3, 2, 1, 2, 2, 2, 1, 2, 1, 1, & ! 4 \n & 2, 2, 2, 2, 1, 1, 2, 2, 2, 2, & ! 5 \n & 2, 2, 1, 1, 2, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 1, 2, 1, & ! 8 \n & 2, 1, 2, 2, 2, 2, 1, 1, 2, 2, & ! 9 \n & 2, 1, 2, 2, 2, 2, 2, 1, 2, 2, & ! O \n & 2, 1, 2, 1, 2, 2, 1, 2, 1, 2, & ! 1 \n & 2, 2, 2, 2, 2, 2, 2, 1, 1, 2, & ! 2 \n & 2, 2, 1, 2, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 1, 2, 2, 2, 2, 2, & ! 5 \n & 1, 2, 1, 2, 2, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 9 \n & 1, 1, 2, 2, 2, 1, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 1, 2, 2, 2, 2, 2, 2, & ! 1 \n & 1, 1, 1, 1, 3, 1, 1, 2, 2, 2, & ! 2 \n & 2, 2, 2, 1, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 1, 2, 1, 1, 1, 1, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 1, & ! 6 \n & 1, 1, 1, 1, 2, 2, 2, 1, 1, 2, & ! 7 \n & 1, 1, 1, 2, 2, 2, 2, 2, 2, 1, & ! 8 \n & 1, 1, 1, 1, 1, 1, 1, 2, 2, 2, & ! 9 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 2, 1, 1, 2, 2, 2, & ! 1 \n & 2, 1, 2, 2, 2, 2, 2, 2, 2, 2, & ! 2 \n & 1, 2, 2, 2, 2, 1, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 3, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 6 \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! 7 \n & 1, 1, 1, 2, 2, 2, 2, 2, 2, 1, & ! 8 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 9 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 1, & ! O \n & 1, 1, 1, 2, 2, 2, 2, 2, 1, 1, & ! 1 \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! 2 \n & 1, 1, 1, 1, 2, 1, 1, 1, 1, 1, & ! 3 \n & 1, 1, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2/ ! 5 \n\n INTEGER, PARAMETER :: KTN1 = 107\n INTEGER :: KRX1( KTN1 )\n\n DATA ( KRX1( IRXXN ), IRXXN = 1, KTN1 ) / & \n & 11, 22, 31, 32, 33, 34, 39, 41, 42, 91, & ! O \n & 93, 100, 103, 111, 113, 118, 120, 132, 145, 148, & ! 1 \n & 150, 170, 171, 175, 189, 190, 196, 197, 198, 199, & ! 2 \n & 200, 203, 205, 207, 209, 210, 211, 218, 219, 222, & ! 3 \n & 224, 225, 229, 233, 236, 237, 239, 240, 241, 242, & ! 4 \n & 244, 245, 246, 249, 250, 251, 264, 265, 266, 286, & ! 5 \n & 287, 288, 289, 291, 292, 293, 294, 295, 296, 297, & ! 6 \n & 298, 300, 302, 303, 304, 305, 306, 307, 308, 309, & ! 7 \n & 310, 311, 312, 314, 323, 326, 327, 328, 329, 330, & ! 8 \n & 332, 333, 334, 335, 337, 339, 341, 342, 343, 361, & ! 9 \n & 362, 363, 393, 395, 400, 402, 403/ ! O \n\n INTEGER, PARAMETER :: KTN2 = 2\n INTEGER :: KRX2( KTN2 )\n\n DATA ( KRX2( IRXXN ), IRXXN = 1, KTN2 ) / & \n & 2, 435/\n\n INTEGER, PARAMETER :: KTN3 = 172\n INTEGER :: KRX3( KTN3 )\n\n DATA ( KRX3( IRXXN ), IRXXN = 1, KTN3 ) / & \n & 3, 5, 7, 10, 12, 14, 15, 18, 23, 24, & ! O \n & 25, 26, 29, 30, 35, 44, 51, 53, 57, 58, & ! 1 \n & 59, 61, 68, 69, 70, 71, 72, 73, 75, 76, & ! 2 \n & 87, 89, 94, 95, 96, 99, 101, 102, 104, 105, & ! 3 \n & 106, 107, 109, 110, 116, 121, 122, 124, 125, 126, & ! 4 \n & 127, 130, 131, 133, 134, 135, 137, 139, 140, 141, & ! 5 \n & 143, 144, 146, 147, 149, 151, 152, 155, 156, 157, & ! 6 \n & 158, 159, 160, 162, 164, 165, 166, 167, 172, 173, & ! 7 \n & 174, 176, 177, 178, 179, 180, 182, 184, 185, 187, & ! 8 \n & 191, 192, 195, 204, 208, 220, 228, 230, 231, 232, & ! 9 \n & 235, 238, 243, 247, 258, 259, 260, 261, 262, 263, & ! O \n & 267, 268, 269, 284, 285, 313, 315, 318, 319, 320, & ! 1 \n & 321, 324, 325, 338, 340, 344, 345, 346, 347, 348, & ! 2 \n & 349, 350, 351, 352, 353, 354, 355, 358, 359, 360, & ! 3 \n & 364, 365, 366, 367, 368, 369, 370, 391, 392, 394, & ! 4 \n & 396, 397, 398, 399, 401, 404, 405, 406, 407, 408, & ! 5 \n & 409, 410, 411, 412, 413, 417, 418, 436, 449, 451, & ! 6 \n & 452, 453/ ! 7 \n\n INTEGER, PARAMETER :: KTN4 = 3\n INTEGER :: KRX4( KTN4 )\n\n DATA ( KRX4( IRXXN ), IRXXN = 1, KTN4 ) / & \n & 13, 16, 248/\n\n INTEGER, PARAMETER :: KTN5 = 0\n INTEGER :: KRX5( 1 )\n\n DATA KRX5( 1 ) / 0 /\n\n INTEGER, PARAMETER :: KTN6 = 34\n INTEGER :: KRX6( KTN6 )\n\n DATA ( KRX6( IRXXN ), IRXXN = 1, KTN6 ) / & \n & 60, 62, 63, 65, 66, 67, 74, 77, 78, 79, & \n & 80, 81, 82, 83, 84, 85, 86, 115, 153, 154, & \n & 168, 169, 181, 183, 186, 188, 193, 194, 212, 213, & \n & 214, 215, 216, 217/\n\n INTEGER, PARAMETER :: KTN7 = 0\n INTEGER :: KRX7( 1 )\n\n DATA KRX7( 1 ) / 0 /\n\n INTEGER, PARAMETER :: NWM = 3\n INTEGER :: NRXWM( NWM )\n\n DATA ( NRXWM( IRXXN ), IRXXN = 1, NWM ) / & \n & 2, 10, 344/\n REAL( 8 ), PARAMETER :: ATM_AIR = 1.00000D+06\n\n INTEGER, PARAMETER :: NWW = 5\n INTEGER :: NRXWW( NWW )\n\n DATA ( NRXWW( IRXXN ), IRXXN = 1, NWW ) / & \n & 11, 20, 39, 41, 225/\n\n INTEGER, PARAMETER :: NWO2 = 3\n INTEGER :: NRXWO2( NWO2 )\n\n DATA ( NRXWO2( IRXXN ), IRXXN = 1, NWO2 ) / & \n & 2, 24, 134/\n REAL( 8 ), PARAMETER :: ATM_O2 = 2.09500D+05\n\n INTEGER, PARAMETER :: NWN2 = 0\n INTEGER :: NRXWN2( 1 )\n\n DATA NRXWN2( 1 ) / 0 /\n REAL( 8 ), PARAMETER :: ATM_N2 = 7.80800D+05\n\n INTEGER, PARAMETER :: NWCH4 = 2\n INTEGER :: NRXWCH4( NWCH4 )\n\n DATA ( NRXWCH4( IRXXN ), IRXXN = 1, NWCH4 ) / & \n & 124, 235/\n REAL( 8 ), PARAMETER :: ATM_CH4 = 1.85000D+00\n\n INTEGER, PARAMETER :: NWH2 = 1\n INTEGER :: NRXWH2( NWH2 )\n\n DATA ( NRXWH2( IRXXN ), IRXXN = 1, NWH2 ) / & \n & 122/\n REAL( 8 ), PARAMETER :: ATM_H2 = 5.60000D-01\n\n INTEGER, PARAMETER :: MXPRD = 14\n INTEGER :: IRR( NRXNS,MXPRD+3 )\n\n DATA ( IRR( IRXXN, 1 ), IRXXN = 1, NRXNS ) / & \n & 1, 3, 4, 3, 3, 3, 3, 4, 4, 6, & ! O \n & 6, 4, 4, 7, 8, 7, 7, 7, 8, 8, & ! 1 \n & 9, 9, 9, 2, 8, 1, 5, 5, 5, 5, & ! 2 \n & 5, 5, 5, 5, 5, 5, 10, 10, 10, 2, & ! 3 \n & 2, 12, 12, 12, 1, 11, 11, 8, 13, 13, & ! 4 \n & 13, 14, 17, 17, 20, 20, 17, 17, 17, 17, & ! 5 \n & 23, 23, 26, 26, 23, 23, 23, 19, 19, 19, & ! 6 \n & 18, 18, 18, 18, 25, 25, 25, 25, 31, 31, & ! 7 \n & 31, 31, 32, 32, 32, 32, 28, 28, 30, 30, & ! 8 \n & 33, 33, 35, 22, 21, 27, 27, 27, 27, 27, & ! 9 \n & 27, 37, 37, 37, 24, 24, 24, 24, 38, 38, & ! O \n & 38, 38, 39, 39, 39, 40, 40, 40, 41, 41, & ! 1 \n & 41, 7, 36, 7, 42, 29, 43, 44, 46, 46, & ! 2 \n & 47, 45, 50, 50, 50, 51, 52, 52, 52, 52, & ! 3 \n & 53, 53, 53, 53, 54, 54, 54, 54, 55, 55, & ! 4 \n & 56, 56, 56, 56, 56, 55, 55, 58, 58, 58, & ! 5 \n & 58, 60, 61, 61, 63, 64, 64, 64, 64, 59, & ! 6 \n & 65, 65, 65, 65, 68, 68, 68, 68, 69, 71, & ! 7 \n & 71, 71, 71, 74, 75, 75, 75, 75, 78, 81, & ! 8 \n & 79, 79, 79, 79, 70, 70, 83, 83, 85, 85, & ! 9 \n & 85, 77, 77, 77, 77, 72, 72, 72, 72, 84, & ! O \n & 84, 62, 62, 86, 62, 62, 62, 86, 26, 87, & ! 1 \n & 48, 48, 49, 49, 1, 88, 90, 89, 91, 91, & ! 2 \n & 91, 91, 7, 92, 89, 89, 89, 89, 89, 89, & ! 3 \n & 89, 89, 89, 89, 89, 89, 89, 93, 89, 89, & ! 4 \n & 89, 94, 91, 95, 95, 95, 95, 76, 76, 80, & ! 5 \n & 80, 73, 73, 100, 100, 100, 82, 82, 102, 34, & ! 6 \n & 10, 10, 103, 104, 103, 103, 104, 1, 63, 108, & ! 7 \n & 108, 40, 41, 67, 67, 67, 67, 112, 112, 112, & ! 8 \n & 113, 115, 117, 118, 119, 121, 122, 123, 124, 125, & ! 9 \n & 126, 127, 129, 130, 131, 132, 133, 134, 135, 138, & ! O \n & 136, 137, 139, 139, 139, 139, 139, 139, 140, 140, & ! 1 \n & 140, 140, 140, 141, 141, 141, 141, 143, 143, 143, & ! 2 \n & 143, 143, 142, 142, 142, 142, 142, 144, 144, 145, & ! 3 \n & 145, 145, 145, 145, 148, 149, 148, 151, 149, 149, & ! 4 \n & 149, 148, 152, 149, 148, 149, 148, 149, 27, 24, & ! 5 \n & 53, 55, 155, 149, 156, 157, 158, 159, 160, 161, & ! 6 \n & 152, 150, 149, 154, 153, 153, 163, 155, 156, 158, & ! 7 \n & 159, 153, 153, 150, 150, 153, 153, 154, 154, 151, & ! 8 \n & 165, 165, 168, 167, 169, 166, 166, 170, 171, 168, & ! 9 \n & 172, 165, 166, 166, 166, 173, 173, 166, 166, 175, & ! O \n & 174, 171, 172, 165, 165, 166, 177, 161, 168, 169, & ! 1 \n & 166, 173, 170, 171, 172, 175, 176, 174, 178, 179, & ! 2 \n & 177, 180, 181, 182, 169, 175, 175, 175, 176, 176, & ! 3 \n & 174, 174, 172, 172, 171, 171, 169, 169, 161, 161, & ! 4 \n & 161, 161, 161/ ! 5 \n\n DATA ( IRR( IRXXN, 2 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 2, 2, 1, 1, 4, 0, 0, 0, & ! O \n & 0, 7, 8, 3, 3, 7, 7, 8, 8, 8, & ! 1 \n & 0, 7, 3, 2, 2, 4, 0, 0, 2, 1, & ! 2 \n & 3, 7, 8, 4, 5, 1, 0, 0, 0, 7, & ! 3 \n & 1, 12, 0, 7, 7, 7, 0, 1, 0, 0, & ! 4 \n & 7, 7, 2, 1, 0, 0, 8, 19, 17, 23, & ! 5 \n & 2, 1, 0, 0, 8, 19, 23, 2, 8, 19, & ! 6 \n & 2, 8, 17, 19, 2, 8, 17, 19, 2, 8, & ! 7 \n & 17, 19, 2, 8, 17, 19, 7, 0, 7, 0, & ! 8 \n & 7, 0, 7, 7, 7, 7, 0, 0, 3, 5, & ! 9 \n & 8, 0, 2, 8, 3, 7, 5, 0, 3, 7, & ! O \n & 5, 0, 7, 0, 5, 7, 0, 5, 0, 5, & ! 1 \n & 7, 0, 7, 0, 7, 7, 7, 0, 0, 7, & ! 2 \n & 7, 7, 0, 0, 1, 7, 3, 7, 4, 5, & ! 3 \n & 3, 7, 4, 5, 3, 7, 4, 5, 7, 3, & ! 4 \n & 2, 8, 17, 19, 0, 4, 5, 7, 4, 5, & ! 5 \n & 0, 7, 0, 5, 7, 8, 2, 17, 19, 7, & ! 6 \n & 3, 7, 4, 5, 3, 7, 4, 5, 7, 2, & ! 7 \n & 17, 8, 19, 7, 2, 17, 8, 19, 7, 7, & ! 8 \n & 2, 8, 17, 19, 7, 5, 1, 8, 7, 5, & ! 9 \n & 0, 0, 7, 4, 5, 0, 7, 4, 5, 7, & ! O \n & 5, 2, 1, 0, 8, 17, 19, 7, 7, 7, & ! 1 \n & 0, 0, 0, 0, 7, 0, 0, 4, 91, 2, & ! 2 \n & 8, 18, 92, 0, 0, 45, 47, 42, 52, 53, & ! 3 \n & 54, 55, 27, 24, 38, 29, 43, 7, 74, 78, & ! 4 \n & 81, 0, 1, 0, 0, 0, 0, 2, 8, 2, & ! 5 \n & 8, 2, 8, 4, 7, 5, 2, 8, 7, 0, & ! 6 \n & 0, 0, 0, 0, 105, 106, 107, 0, 0, 109, & ! 7 \n & 0, 0, 0, 2, 8, 5, 19, 89, 7, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 7, 7, 7, & ! 9 \n & 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, & ! O \n & 7, 7, 7, 5, 3, 0, 0, 89, 7, 5, & ! 1 \n & 3, 0, 89, 7, 4, 5, 89, 7, 4, 5, & ! 2 \n & 0, 89, 7, 4, 5, 0, 89, 7, 89, 4, & ! 3 \n & 88, 9, 7, 89, 4, 8, 8, 7, 149, 149, & ! 4 \n & 2, 153, 7, 7, 5, 1, 1, 91, 148, 148, & ! 5 \n & 148, 148, 7, 18, 7, 7, 7, 7, 7, 149, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 106, 164, 106, 164, 106, 164, 0, & ! 8 \n & 4, 8, 7, 7, 7, 8, 2, 170, 171, 5, & ! 9 \n & 165, 149, 148, 149, 91, 173, 2, 166, 173, 0, & ! O \n & 0, 0, 0, 2, 1, 1, 7, 166, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 5, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 106, 164, 106, 164, 106, 164, 7, 7, & ! 4 \n & 5, 89, 91/ ! 5 \n\n DATA ( IRR( IRXXN, 3 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0/ ! 5 \n\n DATA ( IRR( IRXXN, 4 ), IRXXN = 1, NRXNS ) / & \n & 2, 4, 1, 1, 2, 5, 0, 3, 6, 3, & ! O \n & 7, 8, 7, 8, 7, 3, 9, 0, 9, 9, & ! 1 \n & 7, 8, 7, 1, 7, 5, 1, 2, 1, 2, & ! 2 \n & 1, 8, 7, 1, 1, 10, 5, 1, 11, 12, & ! 3 \n & 12, 2, 2, 1, 11, 5, 7, 13, 8, 8, & ! 4 \n & 1, 15, 1, 20, 1, 1, 21, 18, 18, 18, & ! 5 \n & 1, 26, 1, 1, 21, 18, 18, 2, 8, 0, & ! 6 \n & 27, 28, 27, 27, 1, 30, 8, 8, 1, 30, & ! 7 \n & 18, 19, 33, 30, 8, 19, 18, 18, 25, 8, & ! 8 \n & 34, 1, 8, 18, 17, 8, 8, 36, 7, 11, & ! 9 \n & 37, 27, 35, 28, 17, 17, 17, 18, 23, 23, & ! O \n & 23, 24, 40, 27, 11, 36, 8, 11, 17, 11, & ! 1 \n & 17, 8, 8, 18, 24, 27, 24, 24, 36, 27, & ! 2 \n & 48, 49, 44, 44, 33, 40, 27, 25, 27, 1, & ! 3 \n & 24, 27, 24, 1, 24, 24, 24, 1, 56, 58, & ! 4 \n & 59, 60, 27, 27, 8, 27, 1, 32, 24, 11, & ! 5 \n & 8, 63, 7, 11, 64, 39, 39, 39, 39, 31, & ! 6 \n & 38, 25, 7, 1, 38, 25, 7, 1, 70, 1, & ! 7 \n & 40, 0, 40, 70, 1, 40, 0, 40, 70, 70, & ! 8 \n & 1, 0, 40, 40, 40, 83, 85, 70, 34, 34, & ! 9 \n & 12, 40, 41, 41, 1, 62, 62, 40, 62, 27, & ! O \n & 83, 1, 86, 62, 21, 18, 25, 1, 24, 18, & ! 1 \n & 32, 46, 32, 38, 11, 89, 7, 91, 88, 89, & ! 2 \n & 90, 89, 89, 89, 93, 93, 93, 93, 92, 92, & ! 3 \n & 93, 92, 93, 93, 93, 93, 93, 89, 93, 93, & ! 4 \n & 93, 89, 95, 91, 89, 90, 90, 2, 8, 2, & ! 5 \n & 8, 2, 8, 4, 7, 5, 2, 8, 7, 11, & ! 6 \n & 11, 11, 11, 11, 94, 94, 94, 12, 108, 110, & ! 7 \n & 110, 111, 111, 2, 8, 5, 19, 89, 7, 0, & ! 8 \n & 114, 116, 116, 116, 120, 120, 120, 124, 7, 126, & ! 9 \n & 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, & ! O \n & 7, 7, 7, 5, 3, 0, 0, 89, 7, 5, & ! 1 \n & 3, 0, 89, 7, 4, 5, 89, 7, 4, 5, & ! 2 \n & 0, 89, 7, 4, 5, 0, 89, 7, 89, 146, & ! 3 \n & 147, 147, 146, 145, 149, 150, 151, 148, 148, 152, & ! 4 \n & 148, 152, 150, 148, 149, 153, 154, 148, 151, 151, & ! 5 \n & 155, 155, 148, 150, 148, 148, 148, 148, 148, 14, & ! 6 \n & 148, 7, 148, 148, 149, 148, 148, 148, 148, 148, & ! 7 \n & 148, 150, 150, 163, 152, 163, 152, 163, 152, 164, & ! 8 \n & 166, 167, 169, 165, 166, 169, 165, 168, 168, 165, & ! 9 \n & 168, 166, 165, 148, 165, 174, 166, 173, 176, 173, & ! O \n & 173, 165, 166, 170, 171, 172, 165, 14, 165, 165, & ! 1 \n & 165, 165, 165, 165, 165, 165, 166, 173, 165, 165, & ! 2 \n & 165, 165, 165, 165, 166, 166, 0, 0, 0, 0, & ! 3 \n & 0, 0, 178, 179, 178, 179, 178, 179, 14, 14, & ! 4 \n & 14, 14, 14/ ! 5 \n\n DATA ( IRR( IRXXN, 5 ), IRXXN = 1, NRXNS ) / & \n & 3, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 8, 0, 1, 0, 3, 0, 0, 1, & ! 2 \n & 0, 1, 1, 0, 0, 0, 1, 5, 0, 0, & ! 3 \n & 0, 1, 7, 0, 0, 0, 1, 0, 1, 1, & ! 4 \n & 0, 8, 18, 0, 17, 17, 22, 0, 19, 24, & ! 5 \n & 24, 0, 23, 23, 22, 0, 19, 0, 0, 0, & ! 6 \n & 8, 27, 8, 29, 8, 0, 18, 19, 0, 0, & ! 7 \n & 22, 0, 34, 0, 18, 0, 19, 19, 32, 7, & ! 8 \n & 0, 0, 0, 19, 0, 36, 36, 0, 8, 8, & ! 9 \n & 0, 8, 1, 35, 7, 0, 11, 19, 7, 0, & ! O \n & 11, 25, 8, 36, 17, 31, 36, 36, 8, 17, & ! 1 \n & 36, 0, 0, 19, 25, 8, 8, 17, 18, 17, & ! 2 \n & 0, 0, 46, 8, 0, 7, 8, 19, 36, 33, & ! 3 \n & 38, 24, 27, 33, 38, 38, 38, 33, 19, 27, & ! 4 \n & 1, 7, 58, 58, 61, 58, 34, 31, 27, 34, & ! 5 \n & 25, 7, 58, 58, 19, 40, 40, 40, 40, 25, & ! 6 \n & 45, 31, 25, 25, 45, 31, 25, 25, 71, 34, & ! 7 \n & 72, 0, 72, 75, 34, 41, 0, 41, 79, 79, & ! 8 \n & 34, 0, 41, 41, 72, 11, 0, 0, 83, 83, & ! 9 \n & 8, 25, 40, 7, 34, 8, 25, 41, 11, 8, & ! O \n & 11, 40, 0, 1, 22, 31, 38, 40, 1, 19, & ! 1 \n & 19, 38, 19, 50, 0, 0, 89, 0, 89, 1, & ! 2 \n & 0, 27, 36, 36, 18, 49, 46, 24, 31, 24, & ! 3 \n & 92, 58, 8, 17, 23, 8, 8, 0, 70, 70, & ! 4 \n & 70, 1, 0, 1, 5, 11, 11, 96, 99, 96, & ! 5 \n & 99, 96, 99, 101, 101, 101, 96, 99, 96, 0, & ! 6 \n & 103, 104, 0, 0, 0, 0, 0, 11, 0, 0, & ! 7 \n & 0, 0, 0, 112, 112, 112, 112, 112, 112, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 123, 0, 125, & ! 9 \n & 0, 128, 129, 129, 129, 129, 129, 134, 134, 134, & ! O \n & 134, 134, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 142, 142, 142, 142, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 147, & ! 3 \n & 88, 9, 147, 147, 0, 0, 0, 0, 0, 0, & ! 4 \n & 1, 5, 148, 8, 1, 0, 0, 89, 8, 17, & ! 5 \n & 24, 58, 36, 148, 36, 8, 89, 89, 89, 162, & ! 6 \n & 0, 148, 3, 1, 1, 5, 89, 36, 8, 89, & ! 7 \n & 89, 11, 11, 0, 0, 11, 11, 12, 12, 0, & ! 8 \n & 0, 0, 165, 0, 0, 0, 1, 2, 1, 172, & ! 9 \n & 5, 148, 149, 165, 89, 0, 1, 165, 0, 165, & ! O \n & 0, 1, 1, 0, 0, 0, 27, 162, 0, 7, & ! 1 \n & 3, 0, 2, 1, 5, 173, 173, 0, 89, 148, & ! 2 \n & 18, 27, 148, 89, 11, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 11, 11, 12, 12, 0, 0, 18, 162, & ! 4 \n & 11, 18, 162/ ! 5 \n\n DATA ( IRR( IRXXN, 6 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 7, & ! 4 \n & 0, 16, 19, 0, 0, 5, 4, 0, 0, 25, & ! 5 \n & 25, 0, 0, 5, 4, 0, 0, 0, 0, 0, & ! 6 \n & 1, 0, 18, 8, 0, 0, 22, 0, 0, 0, & ! 7 \n & 19, 0, 0, 0, 22, 0, 27, 7, 19, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 36, 36, & ! 9 \n & 0, 0, 8, 7, 0, 0, 0, 36, 0, 0, & ! O \n & 0, 19, 17, 8, 0, 19, 0, 31, 36, 31, & ! 1 \n & 0, 0, 0, 0, 32, 0, 25, 25, 19, 31, & ! 2 \n & 0, 0, 24, 0, 0, 35, 36, 27, 8, 25, & ! 3 \n & 8, 38, 38, 31, 25, 25, 27, 31, 57, 31, & ! 4 \n & 27, 8, 8, 8, 0, 38, 25, 41, 41, 1, & ! 5 \n & 31, 56, 0, 0, 0, 41, 41, 41, 41, 19, & ! 6 \n & 66, 32, 31, 31, 66, 32, 31, 31, 19, 40, & ! 7 \n & 8, 0, 8, 19, 40, 72, 0, 72, 19, 19, & ! 8 \n & 40, 0, 72, 72, 8, 31, 0, 0, 0, 11, & ! 9 \n & 27, 8, 25, 17, 25, 36, 19, 7, 0, 83, & ! O \n & 0, 36, 0, 0, 4, 38, 19, 36, 0, 0, & ! 1 \n & 0, 45, 0, 25, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 8, 0, 8, 19, 0, 25, 25, 8, 38, & ! 3 \n & 24, 25, 36, 0, 0, 27, 24, 0, 75, 79, & ! 4 \n & 79, 0, 0, 0, 0, 0, 0, 97, 0, 97, & ! 5 \n & 0, 98, 0, 0, 0, 0, 97, 0, 97, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 7, 0, 7, & ! 9 \n & 0, 0, 130, 130, 130, 130, 130, 135, 135, 135, & ! O \n & 135, 135, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 4, & ! 3 \n & 0, 0, 7, 89, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 36, 0, & ! 5 \n & 25, 25, 0, 27, 0, 36, 36, 36, 36, 18, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 8, 36, 8, & ! 7 \n & 8, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 175, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 18, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 27, 27, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 27, 18, & ! 4 \n & 18, 27, 18/ ! 5 \n\n DATA ( IRR( IRXXN, 7 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 5, & ! 4 \n & 0, 0, 0, 0, 0, 18, 18, 0, 0, 19, & ! 5 \n & 19, 0, 0, 24, 7, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 22, 19, 0, 0, 19, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 19, 0, 7, 0, 7, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 8, 0, 0, 0, 8, 0, 0, & ! O \n & 0, 36, 0, 29, 0, 8, 0, 19, 0, 19, & ! 1 \n & 0, 0, 0, 0, 19, 0, 19, 23, 17, 19, & ! 2 \n & 0, 0, 38, 0, 0, 36, 25, 39, 7, 31, & ! 3 \n & 25, 25, 25, 25, 19, 19, 36, 25, 0, 19, & ! 4 \n & 58, 27, 25, 25, 0, 23, 31, 18, 40, 31, & ! 5 \n & 18, 19, 0, 0, 0, 7, 7, 7, 7, 1, & ! 6 \n & 0, 19, 32, 32, 0, 19, 32, 32, 72, 72, & ! 7 \n & 18, 0, 19, 72, 41, 77, 0, 77, 77, 77, & ! 8 \n & 41, 0, 77, 77, 83, 25, 0, 0, 0, 0, & ! 9 \n & 72, 36, 19, 24, 31, 0, 40, 17, 0, 0, & ! O \n & 0, 8, 0, 0, 7, 19, 22, 34, 0, 0, & ! 1 \n & 0, 25, 0, 31, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 32, 32, 27, 31, & ! 3 \n & 38, 32, 0, 0, 0, 0, 0, 0, 19, 19, & ! 4 \n & 19, 0, 0, 0, 0, 0, 0, 98, 0, 98, & ! 5 \n & 0, 0, 0, 0, 0, 0, 98, 0, 98, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 131, 131, 131, 131, 131, 138, 138, 138, & ! O \n & 138, 138, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 45, 32, 0, 0, 0, 0, 0, 0, 8, 148, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 36, & ! 7 \n & 36, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 165, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 27, 93, 89/ ! 5 \n\n DATA ( IRR( IRXXN, 8 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 19, 19, 0, 0, 0, & ! 5 \n & 0, 0, 0, 25, 18, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 19, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 8, 0, 7, 0, 0, 0, 8, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 27, 18, 0, 0, & ! 2 \n & 0, 0, 32, 0, 0, 8, 19, 0, 35, 19, & ! 3 \n & 36, 31, 19, 32, 36, 0, 7, 32, 0, 8, & ! 4 \n & 8, 58, 18, 19, 0, 45, 32, 39, 46, 25, & ! 5 \n & 17, 54, 0, 0, 0, 8, 8, 8, 8, 5, & ! 6 \n & 0, 27, 19, 19, 0, 27, 19, 19, 7, 8, & ! 7 \n & 19, 0, 0, 7, 72, 8, 0, 8, 7, 7, & ! 8 \n & 72, 0, 8, 8, 84, 40, 0, 0, 0, 0, & ! 9 \n & 0, 17, 0, 36, 32, 0, 0, 27, 0, 0, & ! O \n & 0, 23, 0, 0, 18, 0, 0, 0, 0, 0, & ! 1 \n & 0, 19, 0, 19, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 19, 19, 0, 8, & ! 3 \n & 53, 19, 0, 0, 0, 0, 0, 0, 72, 77, & ! 4 \n & 77, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 132, 132, 132, 132, 134, 136, 136, 136, & ! O \n & 136, 136, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 19, 19, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 162, 0/ ! 5 \n\n DATA ( IRR( IRXXN, 9 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 7, 0, 0, 0, & ! 5 \n & 0, 0, 0, 19, 19, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 40, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 39, 19, 0, 0, & ! 2 \n & 0, 0, 25, 0, 0, 0, 7, 0, 0, 27, & ! 3 \n & 27, 32, 7, 19, 45, 0, 25, 19, 0, 23, & ! 4 \n & 25, 0, 22, 0, 0, 7, 19, 17, 36, 39, & ! 5 \n & 27, 38, 0, 0, 0, 27, 27, 27, 27, 59, & ! 6 \n & 0, 45, 27, 38, 0, 45, 27, 38, 8, 0, & ! 7 \n & 0, 0, 0, 25, 77, 18, 0, 19, 25, 25, & ! 8 \n & 77, 0, 18, 19, 32, 41, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 25, 19, 0, 0, 24, 0, 0, & ! O \n & 0, 0, 0, 0, 19, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 45, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 45, & ! 3 \n & 45, 0, 0, 0, 0, 0, 0, 0, 7, 7, & ! 4 \n & 7, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 133, 134, 134, 134, 135, 137, 137, 137, & ! O \n & 137, 137, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 91, 0/ ! 5 \n\n DATA ( IRR( IRXXN, 10 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 25, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 45, 0, 0, & ! 2 \n & 0, 0, 19, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 32, 19, 8, 27, 0, 0, 19, 24, 0, 45, & ! 4 \n & 19, 0, 19, 0, 0, 31, 27, 62, 7, 41, & ! 5 \n & 53, 0, 0, 0, 0, 35, 1, 36, 36, 27, & ! 6 \n & 0, 38, 36, 34, 0, 38, 36, 34, 73, 0, & ! 7 \n & 0, 0, 0, 8, 8, 19, 0, 0, 8, 8, & ! 8 \n & 8, 0, 19, 0, 19, 62, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 19, 72, 0, 0, 36, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 31, 0, 0, 0, 0, 0, 0, 0, 25, 25, & ! 4 \n & 25, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 134, 135, 135, 135, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0/ ! 5 \n\n DATA ( IRR( IRXXN, 11 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 19, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 50, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 19, 45, 36, 24, 0, 0, 40, 38, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 19, 58, 45, 35, 45, & ! 5 \n & 45, 0, 0, 0, 0, 36, 36, 45, 45, 39, & ! 6 \n & 0, 66, 45, 67, 0, 66, 45, 0, 0, 0, & ! 7 \n & 0, 0, 0, 76, 0, 0, 0, 0, 80, 82, & ! 8 \n & 0, 0, 0, 0, 0, 32, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 41, 0, 0, 8, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 8, 0, 0, 0, 0, 0, 0, 0, 8, 8, & ! 4 \n & 8, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 135, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0/ ! 5 \n\n DATA ( IRR( IRXXN, 12 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 45, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 45, 0, 40, 38, 0, 0, 41, 45, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 8, 57, 46, 8, 23, & ! 5 \n & 46, 0, 0, 0, 0, 45, 45, 18, 19, 35, & ! 6 \n & 0, 0, 38, 0, 0, 0, 38, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 19, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 76, 80, & ! 4 \n & 82, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 136, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0/ ! 5 \n\n DATA ( IRR( IRXXN, 13 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 7, 0, 41, 45, 0, 0, 45, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 36, 0, 36, 17, 19, & ! 5 \n & 39, 0, 0, 0, 0, 0, 0, 22, 0, 45, & ! 6 \n & 0, 0, 23, 0, 0, 0, 23, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 137, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0/ ! 5 \n\n DATA ( IRR( IRXXN, 14 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 35, 0, 0, 0, 22, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 8, 0, 0, & ! 5 \n & 19, 0, 0, 0, 0, 0, 0, 19, 0, 53, & ! 6 \n & 0, 0, 66, 0, 0, 0, 66, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0/ ! 5 \n\n DATA ( IRR( IRXXN, 15 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 22, 0, 0, 0, 9, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 19, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 38, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0/ ! 5 \n\n DATA ( IRR( IRXXN, 16 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 9, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 34, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0/ ! 5 \n\n DATA ( IRR( IRXXN, 17 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 45, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0/ ! 5 \n\n DATA ( RTDAT( 1,IRXXN ), IRXXN = 1, NRXNS ) / & \n & 1.0000D+00, 6.0000D-34, 2.0700D-12, 1.0000D-31, 5.1000D-12, & ! O \n & 1.3000D-31, 8.0000D-12, 1.0000D+00, 1.0000D+00, 2.2300D-11, & ! + \n & 2.1400D-10, 1.7000D-12, 2.0300D-16, 2.4000D-11, 3.0000D-11, & ! 1 \n & 6.2000D-14, 9.0000D-31, 4.8000D-11, 2.2000D-13, 3.0800D-34, & ! + \n & 1.0000D+00, 1.8000D-12, 1.4000D-12, 4.2500D-39, 3.4500D-12, & ! 2 \n & 1.4000D-13, 1.0000D+00, 1.0000D+00, 1.8000D-11, 4.5000D-14, & ! + \n & 1.7000D-11, 2.0000D-11, 4.0000D-12, 1.0000D-17, 8.5000D-13, & ! 3 \n & 3.6000D-30, 1.3000D-03, 1.0000D+00, 1.0000D-22, 7.4000D-31, & ! + \n & 5.0000D-40, 1.0000D-20, 1.0000D+00, 2.5000D-12, 1.8000D-30, & ! 4 \n & 2.4000D-14, 1.0000D+00, 1.4000D-31, 4.1000D-05, 1.0000D+00, & ! + \n & 3.2000D-13, 2.8000D-31, 7.5000D-12, 3.6100D-28, 1.1000D-05, & ! 5 \n & 1.0000D+00, 3.1400D-12, 4.4000D-13, 2.9000D-12, 1.0000D+00, & ! + \n & 6.7000D-12, 8.4000D-01, 8.4000D-01, 1.0000D+00, 1.0000D+00, & ! 6 \n & 1.0000D+00, 1.0000D+00, 2.4000D-12, 4.8000D-13, 6.5000D-14, & ! + \n & 2.3000D-12, 3.8000D-13, 2.0000D-12, 1.0000D+00, 2.7000D-12, & ! 7 \n & 6.8000D-13, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 8 \n & 1.0000D+00, 5.3000D-12, 1.0000D+00, 5.3000D-12, 1.0000D+00, & ! + \n & 2.0000D-12, 1.0000D+00, 4.5000D-13, 4.0000D-14, 5.3000D-12, & ! 9 \n & 5.4000D-12, 1.0000D+00, 1.0000D+00, 3.4000D-11, 5.5000D-16, & ! + \n & 9.7000D-15, 2.4000D+12, 5.6000D-12, 5.6000D-15, 1.8000D-11, & ! O \n & 4.7000D-12, 1.4000D-12, 1.0000D+00, 1.3000D-11, 4.9000D-12, & ! + \n & 6.3000D-15, 1.0000D+00, 8.0000D-12, 1.0000D+00, 1.0000D+00, & ! 1 \n & 3.1000D-12, 1.0000D+00, 4.0000D-16, 1.0000D+00, 5.0000D-16, & ! + \n & 1.9000D-12, 7.7000D-12, 1.4400D-13, 1.8500D-12, 6.9000D-12, & ! 2 \n & 2.8500D-12, 3.0000D-12, 1.0000D+00, 1.0000D+00, 1.4100D-12, & ! + \n & 7.6000D-12, 8.1000D-13, 5.7000D+12, 1.5000D-14, 8.6000D-12, & ! 3 \n & 5.0000D-30, 1.0400D-11, 8.6000D-29, 6.8200D-15, 3.3000D-12, & ! + \n & 1.0000D-11, 8.0000D-27, 5.5000D-15, 4.6000D-13, 2.3000D-11, & ! 4 \n & 1.0500D-11, 4.7000D-15, 3.7000D-13, 2.7000D-11, 3.0000D-11, & ! + \n & 2.3900D-12, 7.4300D-13, 1.0000D+00, 1.0000D+00, 3.3000D+09, & ! 5 \n & 1.0300D-14, 3.0300D-12, 5.5800D-12, 3.8800D-15, 4.1000D-12, & ! + \n & 1.0000D+00, 2.2300D-11, 1.0000D+00, 6.0000D-12, 5.7800D-11, & ! 6 \n & 7.4300D-13, 2.3900D-12, 1.0000D+00, 1.0000D+00, 3.1000D-11, & ! + \n & 3.6000D-11, 1.5000D-11, 1.2000D-15, 3.7000D-12, 3.6000D-11, & ! 7 \n & 1.5000D-11, 1.2000D-15, 3.7000D-12, 2.3000D-12, 2.7000D-12, & ! + \n & 1.0000D+00, 1.9000D-13, 1.0000D+00, 1.8000D-12, 2.7000D-12, & ! 8 \n & 1.0000D+00, 1.9000D-13, 1.0000D+00, 1.8500D-11, 1.8500D-11, & ! + \n & 2.7000D-12, 1.9000D-13, 1.0000D+00, 1.0000D+00, 1.7000D-12, & ! 9 \n & 1.4000D-11, 2.1000D-12, 5.5000D-12, 1.5300D-12, 3.8000D-12, & ! + \n & 1.0000D+00, 5.0000D-02, 9.0000D-11, 1.0800D-16, 3.0000D-12, & ! O \n & 2.8000D-02, 4.4000D-11, 5.4000D-17, 3.8000D-12, 5.0000D-11, & ! + \n & 1.7000D-10, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 1 \n & 1.0000D+00, 1.0000D+00, 3.6000D-11, 3.0000D-12, 1.8500D-12, & ! + \n & 2.3700D-21, 1.0000D+00, 4.8100D-20, 1.0000D+00, 1.1000D-30, & ! 2 \n & 1.0000D+00, 1.0000D+00, 2.3000D-11, 1.6300D-14, 6.4000D-12, & ! + \n & 2.2000D-12, 3.2000D-12, 5.0000D-13, 1.0000D+00, 6.6000D-12, & ! 3 \n & 5.0000D-11, 1.4000D-10, 8.3000D-11, 1.0700D-10, 2.5000D-10, & ! + \n & 3.5000D-10, 4.3000D-10, 8.2000D-11, 7.9000D-11, 1.3000D-10, & ! 4 \n & 5.5000D-11, 8.2000D-11, 6.5800D-13, 6.1000D-11, 1.2000D-10, & ! + \n & 1.2000D-10, 1.0000D+00, 1.8000D-31, 1.0000D+00, 1.0000D+00, & ! 5 \n & 1.0000D+00, 1.0000D+00, 2.7000D-12, 1.9000D-13, 2.7000D-12, & ! + \n & 1.9000D-13, 2.7000D-12, 1.9000D-13, 1.1600D-14, 1.9700D-10, & ! 6 \n & 1.9000D-11, 2.7000D-12, 1.9000D-13, 2.7000D-12, 1.4000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 7 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 2.6000D-12, 2.6500D-13, & ! 8 \n & 2.3000D-12, 3.5000D-14, 1.9200D-10, 7.2000D-12, 1.0000D+00, & ! + \n & 9.2590D-05, 9.4882D-06, 9.4882D-06, 9.4882D-06, 9.4882D-06, & ! 9 \n & 9.4882D-06, 9.4882D-06, 2.5000D-12, 1.0000D+00, 2.5000D-12, & ! + \n & 1.0000D+00, 1.2500D-11, 4.0000D-11, 4.0000D-11, 4.0000D-11, & ! O \n & 4.0000D-11, 4.0000D-11, 4.0000D-11, 4.0000D-11, 4.0000D-11, & ! + \n & 4.0000D-11, 4.0000D-11, 5.4000D-12, 5.5000D-16, 3.4000D-11, & ! 1 \n & 1.0000D+00, 1.0000D+00, 8.2000D-11, 4.7000D-12, 1.4000D-12, & ! + \n & 1.8000D-11, 1.0000D+00, 7.9000D-11, 1.4800D-11, 1.3400D-14, & ! 2 \n & 1.7900D-13, 2.5100D-10, 2.0000D-11, 2.6100D-19, 1.1500D-15, & ! + \n & 1.0000D+00, 2.3700D-10, 2.0000D-11, 2.6100D-19, 1.1500D-15, & ! 3 \n & 1.0000D+00, 2.3700D-10, 1.8000D-12, 6.1000D-11, 2.1100D-18, & ! + \n & 2.6000D-18, 8.5000D-19, 7.7000D-14, 2.2500D-33, 1.6000D-11, & ! 4 \n & 4.5000D-12, 4.8000D-12, 6.7000D-12, 1.4000D-12, 2.9000D-14, & ! + \n & 8.8000D-12, 4.9000D-11, 2.1000D-11, 1.7000D-11, 1.6000D-11, & ! 5 \n & 5.2000D-31, 4.2000D-31, 4.7000D-12, 1.7000D-11, 1.3000D-11, & ! + \n & 3.6000D-12, 5.0000D-12, 5.0000D-12, 2.7000D-14, 1.0000D-12, & ! 6 \n & 2.0000D-12, 9.0000D-13, 9.4000D-13, 2.1000D-12, 1.5000D-14, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 7 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 8 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 2.1000D-11, 1.5000D-11, 2.1000D-10, 1.6000D-11, 5.0000D-12, & ! 9 \n & 1.4000D-11, 7.1500D-12, 8.4000D-11, 4.7000D-13, 1.5000D-12, & ! + \n & 9.1000D-11, 1.2000D-11, 2.7000D-11, 1.5000D-11, 4.7000D-12, & ! O \n & 1.5000D-10, 1.1000D-12, 5.4000D-11, 1.5000D-10, 2.5000D+14, & ! + \n & 3.8000D-02, 9.9400D+17, 2.1000D+15, 1.8000D-32, 3.0000D-31, & ! 1 \n & 7.7000D-31, 4.3000D-12, 3.3000D-13, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 2 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 2.7000D-12, & ! 3 \n & 1.0000D+12, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 4 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.1200D-11, 1.9900D-39, & ! + \n & 1.9000D-13, 3.4000D-13, 1.7000D-15/ ! 5 \n\n DATA ( RTDAT( 2,IRXXN ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00,-2.6000D+00, 0.0000D+00,-1.6000D+00, 0.0000D+00, & ! O \n & -1.5000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 4.5700D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 2.6000D+00,-3.2000D+00, 0.0000D+00, 6.0000D+02, 2.8000D+03, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & -4.1000D+00,-3.5000D+00, 0.0000D+00, 0.0000D+00,-2.4000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00,-3.0000D+00, & ! 4 \n & 4.6000D+02, 0.0000D+00,-3.1000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00,-2.6000D+00, 0.0000D+00,-6.8700D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 5.9000D+01, & ! + \n & 0.0000D+00, 5.4000D+01, 5.5000D+01, 0.0000D+00, 5.7000D+01, & ! 6 \n & 5.8000D+01, 5.9000D+01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 7.0000D+01, 0.0000D+00, & ! 7 \n & 0.0000D+00, 5.8000D+01, 7.0000D+01, 7.5000D+01, 7.6000D+01, & ! + \n & 5.8000D+01, 7.0000D+01, 7.5000D+01, 7.6000D+01, 5.8000D+01, & ! 8 \n & 7.0000D+01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0700D+02, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & -1.5000D+00, 0.0000D+00,-3.1000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00,-3.5000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 5.8000D+01, 7.0000D+01, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 5.8000D+01, 7.0000D+01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 5.8000D+01, 0.0000D+00, 7.0000D+01, 0.0000D+00, 0.0000D+00, & ! 8 \n & 5.8000D+01, 0.0000D+00, 7.0000D+01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 5.8000D+01, 7.0000D+01, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 6.1000D+01, 6.2000D+01, 6.3000D+01, 5.7000D+01, & ! 1 \n & 5.9000D+01, 5.8000D+01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 1.1600D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00,-3.4000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & -3.2000D+00,-2.4000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00,-1.0000D+00,-1.0000D+00, & ! 1 \n & -5.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00,-2.6600D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00/ ! 5 \n\n DATA ( RTDAT( 3,IRXXN ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00,-1.4000D+03, 0.0000D+00, 1.9800D+02, & ! O \n & 0.0000D+00,-2.0600D+03, 0.0000D+00, 0.0000D+00, 1.1500D+02, & ! + \n & 0.0000D+00,-9.4000D+02, 6.9300D+02, 1.1000D+02, 2.0000D+02, & ! 1 \n & 9.4500D+02, 0.0000D+00, 2.5000D+02, 1.9000D-33, 2.6600D-54, & ! + \n & 0.0000D+00, 0.0000D+00,-2.0000D+03, 6.6400D+02, 2.7000D+02, & ! 2 \n & -2.4700D+03, 0.0000D+00, 0.0000D+00, 1.1000D+02,-1.2600D+03, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00,-2.4500D+03, & ! 3 \n & 0.0000D+00,-1.1000D+04, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.6000D+02, 0.0000D+00, & ! 4 \n & 2.7000D-17, 0.0000D+00, 0.0000D+00,-1.0650D+04, 0.0000D+00, & ! + \n & 6.9000D+02, 0.0000D+00, 2.9000D+02, 0.0000D+00,-1.0100D+04, & ! 5 \n & 0.0000D+00, 5.8000D+02, 1.0700D+03, 5.0000D+02, 0.0000D+00, & ! + \n & 3.4000D+02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 3.6000D+02, 8.0000D+02, 5.0000D+02, & ! + \n & 3.6000D+02, 7.8000D+02, 5.0000D+02, 0.0000D+00, 3.6000D+02, & ! 7 \n & 8.0000D+02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 1.9000D+02, 0.0000D+00, 1.9000D+02, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 8.5000D+02, 1.9000D+02, & ! 9 \n & 1.3500D+02, 0.0000D+00, 0.0000D+00,-1.6000D+03, 0.0000D+00, & ! + \n & 6.2500D+02,-7.0000D+03, 0.0000D+00, 2.3000D+03,-1.1000D+03, & ! O \n & 3.4500D+02,-1.8600D+03, 0.0000D+00,-8.7000D+02, 4.0500D+02, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 3.4000D+02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 5.7500D+02,-2.1000D+03, 3.4300D-33,-1.6900D+03,-1.0000D+03, & ! 2 \n & -3.4500D+02, 2.0000D+01, 0.0000D+00, 0.0000D+00,-6.2060D+02, & ! + \n & -5.8500D+02, 0.0000D+00,-5.7800D+03,-2.0000D+02, 4.0000D+02, & ! 3 \n & 0.0000D+00,-7.9200D+02, 0.0000D+00,-2.5000D+03,-2.8800D+03, & ! + \n & -2.8000D+02, 0.0000D+00,-1.8800D+03,-1.1550D+03, 0.0000D+00, & ! 4 \n & 5.1900D+02,-1.0130D+03, 0.0000D+00, 3.9000D+02, 0.0000D+00, & ! + \n & 3.6500D+02, 7.0000D+02, 0.0000D+00, 0.0000D+00,-8.3000D+03, & ! 5 \n & -1.9950D+03,-4.4800D+02, 5.1100D+02,-1.7700D+03,-1.8600D+03, & ! + \n & 0.0000D+00, 3.7200D+02, 0.0000D+00,-1.8600D+03,-4.0000D+02, & ! 6 \n & 7.0000D+02, 3.6500D+02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 4.4900D+02,-8.2100D+02, 1.7500D+02, 0.0000D+00, & ! 7 \n & 4.4900D+02,-8.2100D+02, 1.7500D+02,-1.9000D+02, 3.6000D+02, & ! + \n & 0.0000D+00, 1.3000D+03, 0.0000D+00, 3.4000D+02, 3.6000D+02, & ! 8 \n & 0.0000D+00, 1.3000D+03, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 3.6000D+02, 1.3000D+03, 0.0000D+00, 0.0000D+00, 9.5000D+02, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00,-5.0000D+02, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00,-5.0000D+02, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00,-1.6900D+03, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00,-2.0000D+02, 0.0000D+00, 2.9000D+02, & ! + \n & 3.4000D+02,-1.1000D+02, 0.0000D+00, 0.0000D+00,-1.2400D+03, & ! 3 \n & 0.0000D+00, 0.0000D+00,-1.0000D+02, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00,-3.4000D+01, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 4.5000D+01, 5.8000D+01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 3.6000D+02, 1.3000D+03, 3.6000D+02, & ! + \n & 1.3000D+03, 3.6000D+02, 1.3000D+03, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 3.6000D+02, 1.3000D+03, 3.7400D+02, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.8000D+02, 1.3000D+03, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.3500D+02, 0.0000D+00,-1.6000D+03, & ! 1 \n & 0.0000D+00, 0.0000D+00,-3.4000D+01, 3.4500D+02,-1.8600D+03, & ! + \n & -1.1000D+03, 0.0000D+00, 0.0000D+00, 4.4800D+02,-2.2830D+03, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 3.4000D+02, 0.0000D+00,-1.2565D+03, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 6.8000D+02,-7.8000D+02, & ! 4 \n & 4.6000D+02,-3.1000D+02, 1.5500D+02, 2.1000D+02, 8.4000D+02, & ! + \n & 2.6000D+02, 0.0000D+00, 2.4000D+02, 2.5000D+02, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 3.2000D+02,-8.0000D+02,-3.6000D+02, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.6000D+03,-3.8800D+02, & ! 6 \n & -8.4000D+02,-4.2000D+02,-5.1000D+02,-8.8000D+02, 1.0000D+03, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & -8.3000D+02,-1.0900D+03, 0.0000D+00, 4.4000D+02, 0.0000D+00, & ! 9 \n & 5.4000D+02, 3.0000D+02,-2.6200D+03,-1.6700D+03, 0.0000D+00, & ! + \n & -1.4600D+02, 0.0000D+00, 0.0000D+00, 5.1000D+02, 2.8000D+02, & ! O \n & 0.0000D+00, 5.4200D+02, 1.8000D+02, 0.0000D+00,-9.7700D+03, & ! + \n & 0.0000D+00,-1.1859D+04,-1.3670D+04, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00,-1.1200D+03,-9.2500D+02, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & -9.7700D+03, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00,-2.5000D+02, 5.2700D+03, & ! + \n & 5.2000D+02, 2.0810D+03, 3.4000D+02/ ! 5 \n INTEGER :: IRRFALL( NFALLOFF )\n\n DATA ( IRRFALL( IRXXN ), IRXXN = 1, NFALLOFF ) / & \n & 4, 6, 17, 19, 20, 36, 37, 40, 45, 46, & \n & 48, 49, 52, 54, 55, 123, 136, 138, 142, 221, & \n & 223, 253, 356, 357, 414, 415, 416, 450/\n\n DATA ( RFDAT( 1,IRXXN ), IRXXN = 1, NFALLOFF ) / & \n & 5.0000D-11, 2.3000D-11, 3.9000D-11, 9.8000D+02, 3.1800D+03, & \n & 1.9000D-12, 9.7000D+14, 3.3000D-11, 2.8000D-11, 2.1990D+03, & \n & 4.0000D-12, 6.0000D+15, 2.0000D-12, 1.2400D-11, 1.9000D+17, & \n & 0.0000D+00, 1.0000D-12, 9.0000D-12, 3.0000D-11, 4.0700D-01, & \n & 4.0700D-01, 1.5000D-11, 6.9000D-12, 2.7000D-11, 1.7000D-11, & \n & 6.6000D-11, 1.6000D-11, 1.2600D-10/\n\n DATA ( RFDAT( 2,IRXXN ), IRXXN = 1, NFALLOFF ) / & \n & 3.0000D-01, 2.4000D-01,-4.7000D-01, 0.0000D+00, 0.0000D+00, & \n & 2.0000D-01, 1.0000D-01,-3.0000D-01, 0.0000D+00, 6.5000D-34, & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00,-1.1050D+00, 0.0000D+00, & \n & 0.0000D+00, 0.0000D+00,-8.5000D-01,-1.0000D+00,-8.0000D+00, & \n & -8.0000D+00,-1.9000D+00,-2.9000D+00, 0.0000D+00, 0.0000D+00, & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00/\n\n DATA ( RFDAT( 3,IRXXN ), IRXXN = 1, NFALLOFF ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & \n & 0.0000D+00,-1.1080D+04, 0.0000D+00, 0.0000D+00, 1.3350D+03, & \n & 0.0000D+00,-1.1170D+04, 0.0000D+00, 0.0000D+00,-1.4100D+04, & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & \n & 0.0000D+00, 0.0000D+00,-3.4000D+02/\n\n DATA ( RFDAT( 4,IRXXN ), IRXXN = 1, NFALLOFF ) / & \n & 8.5000D-01, 6.0000D-01, 4.2000D-01, 0.0000D+00, 0.0000D+00, & \n & 3.5000D-01, 3.5000D-01, 8.1000D-01, 6.0000D-01, 0.0000D+00, & \n & 4.0000D-01, 4.0000D-01, 5.3000D-01, 3.0000D-01, 3.0000D-01, & \n & 0.0000D+00, 3.7000D-01, 4.8000D-01, 5.0000D-01, 4.1000D-01, & \n & 4.1000D-01, 6.0000D-01, 6.0000D-01, 6.0000D-01, 6.0000D-01, & \n & 6.3000D-01, 4.0000D-01, 1.0000D+00/\n\n DATA ( RFDAT( 5,IRXXN ), IRXXN = 1, NFALLOFF ) / & \n & 8.4000D-01, 1.0300D+00, 1.2300D+00, 0.0000D+00, 0.0000D+00, & \n & 1.3300D+00, 1.3300D+00, 8.7000D-01, 1.0000D+00, 0.0000D+00, & \n & 1.2600D+00, 1.2600D+00, 1.1000D+00, 1.4100D+00, 1.4100D+00, & \n & 0.0000D+00, 1.3000D+00, 1.1500D+00, 1.1300D+00, 1.0000D+00, & \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & \n & 1.0000D+00, 1.0000D+00, 1.0000D+00/\n\n REAL( 8 ) :: SC( NRXNS,MXPRD )\n\n DATA ( SC( IRXXN, 1 ), IRXXN = 1, NRXNS ) / & \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! O \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 2.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 1 \n & 1.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 2.0000D+00, 1.0000D+00, 1.0000D+00, 2.0000D+00, 1.0000D+00, & ! 2 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 2.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 2.0000D+00, & ! 3 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 2.0000D+00, 1.0000D+00, & ! + \n & 2.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 4 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 5.9000D-01, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 5 \n & 6.0000D-01, 3.7000D-01, 1.0000D+00, 2.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 6.0000D-01, 3.7000D-01, & ! 6 \n & 1.0000D+00, 2.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, & ! + \n & 1.0000D+00, 9.0000D-01, 1.0000D+00, 6.8500D-01, 1.0000D+00, & ! 7 \n & 1.0000D+00, 8.0000D-01, 6.0000D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 8.0000D-01, 1.0000D+00, 5.0000D-01, 1.0000D+00, 8.0000D-01, & ! 8 \n & 1.0000D+00, 6.0000D-01, 1.0000D+00, 5.4000D-01, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 9 \n & 1.0000D+00, 2.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 5.0000D-01, 1.0000D+00, & ! O \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 2.0000D-01, 7.4000D-01, 1.0000D+00, & ! 1 \n & 1.8000D+00, 2.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 9.9100D-01, & ! 2 \n & 1.0000D+00, 9.5000D-01, 5.0000D-01, 3.8000D-01, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 2.0000D-01, 1.0000D+00, 1.0000D+00, & ! 3 \n & 7.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 5.0000D-01, & ! + \n & 2.0000D-01, 7.8100D-01, 2.9500D-01, 5.0000D-01, 1.2400D+00, & ! 4 \n & 1.3000D+00, 7.3200D-01, 5.0000D-01, 1.0000D+00, 7.5000D-01, & ! + \n & 1.0000D-01, 8.8000D-01, 5.9800D-01, 5.9800D-01, 1.0000D+00, & ! 5 \n & 6.0000D-01, 3.5000D-01, 2.2000D-02, 4.0000D-02, 7.1700D-01, & ! + \n & 7.6000D-01, 9.0400D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 6 \n & 2.7500D-01, 2.7500D-01, 2.2000D-01, 2.7500D-01, 6.3000D-01, & ! + \n & 1.5000D-01, 7.5000D-01, 5.7000D-01, 4.7000D-01, 1.5000D-01, & ! 7 \n & 7.5000D-01, 5.7000D-01, 4.7000D-01, 5.3000D-01, 9.1800D-01, & ! + \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 1.8000D-01, 8.6000D-01, & ! 8 \n & 4.8000D-01, 0.0000D+00, 4.8000D-01, 1.5500D-01, 1.5500D-01, & ! + \n & 8.6000D-01, 0.0000D+00, 2.6000D-01, 2.6000D-01, 2.5000D-02, & ! 9 \n & 3.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 4.0000D-01, 1.0000D+00, 1.2000D+00, 5.0000D-01, & ! O \n & 1.0000D+00, 6.0000D-01, 1.4000D+00, 1.0000D+00, 1.4000D-01, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 3.7000D-01, & ! 1 \n & 1.0000D+00, 8.0000D-01, 5.0000D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 7.3200D-01, 1.0000D+00, 1.2600D-01, 1.0000D+00, & ! 2 \n & 2.0000D+00, 1.0000D+00, 1.0000D+00, 3.0000D-01, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 3 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 3.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 4 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 5 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 6 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 7 \n & 1.0000D+00, 1.0000D+00, 5.0000D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 8 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, & ! + \n & 1.0000D+00, 9.0700D-01, 9.2500D-01, 9.4300D-01, 5.0000D-01, & ! 9 \n & 5.0000D-01, 1.5000D+00, 1.2500D+00, 1.0000D+00, 1.2500D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! O \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 2 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 3 \n & 0.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 5.0000D-01, & ! + \n & 1.0000D+00, 1.0000D+00, 5.0000D-01, 5.0000D-01, 1.0000D+00, & ! 4 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 2.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 5 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 8.0000D-01, 3.0000D+00, & ! 6 \n & 2.0000D+00, 2.0000D+00, 1.0000D+00, 1.0000D+00, 7.5000D-01, & ! + \n & 2.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 7 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 3.0000D+00, 2.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 8 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 9 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! O \n & 1.0000D+00, 1.0000D+00, 4.0000D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 2.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 1 \n & 1.0000D+00, 1.0000D+00, 7.5000D-01, 2.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 2 \n & 1.0000D+00, 1.0000D+00, 2.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 2.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 3 \n & 2.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 4 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 7.5000D-01, & ! + \n & 1.0000D+00, 8.6000D-01, 7.5000D-01/ ! 5 \n\n DATA ( SC( IRXXN, 2 ), IRXXN = 1, NRXNS ) / & \n & 1.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, & ! 2 \n & 0.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, 5.9000D-01, & ! + \n & 0.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, & ! 5 \n & 6.0000D-01, 1.3000D-01, 0.0000D+00, 2.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 6.0000D-01, 1.3000D-01, & ! 6 \n & 0.0000D+00, 2.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 1.0000D+00, 1.0000D-01, 9.0000D-01, 3.1500D-01, 1.0000D+00, & ! 7 \n & 0.0000D+00, 8.0000D-01, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 2.0000D-01, 0.0000D+00, 5.0000D-01, 0.0000D+00, 8.0000D-01, & ! 8 \n & 0.0000D+00, 6.0000D-01, 1.0000D+00, 6.0000D-02, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! 9 \n & 1.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 1.0000D+00, 5.0000D-01, 1.0000D+00, & ! O \n & 0.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 2.0000D-01, 8.9000D-01, 1.0000D+00, & ! 1 \n & 2.0000D-01, 2.0000D+00, 1.5000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 9.9100D-01, & ! 2 \n & 1.0000D+00, 9.0000D-01, 5.0000D-01, 1.3800D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 4.2000D-01, 1.0000D+00, 0.0000D+00, & ! 3 \n & 7.0000D-01, 1.0000D+00, 1.0000D+00, 3.5000D-01, 5.0000D-01, & ! + \n & 3.0000D-01, 4.8800D-01, 5.5500D-01, 5.0000D-01, 6.6000D-01, & ! 4 \n & 7.0000D-01, 4.4200D-01, 5.0000D-01, 1.0000D+00, 5.0000D-01, & ! + \n & 9.0000D-01, 1.2000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 5 \n & 6.5000D-01, 6.5000D-01, 5.2100D-01, 2.3100D-01, 1.4200D-01, & ! + \n & 3.4000D-01, 9.3300D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 6 \n & 2.7500D-01, 2.7500D-01, 2.2000D-01, 2.7500D-01, 3.7000D-01, & ! + \n & 5.1200D+00, 5.0000D-01, 7.0000D-02, 2.8000D-01, 5.1200D+00, & ! 7 \n & 5.0000D-01, 7.0000D-02, 2.8000D-01, 3.5200D-01, 8.2000D-02, & ! + \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 6.5000D-01, 1.4000D-01, & ! 8 \n & 5.2000D-01, 0.0000D+00, 5.2000D-01, 5.4400D-01, 5.4400D-01, & ! + \n & 1.4000D-01, 0.0000D+00, 7.7000D-01, 7.7000D-01, 2.5000D-02, & ! 9 \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 5.0000D-01, 5.0000D-01, & ! + \n & 1.0000D+00, 1.0000D+00, 4.0000D-01, 5.0000D-01, 5.0000D-01, & ! O \n & 1.0000D+00, 4.0000D-01, 2.4000D-01, 1.0000D+00, 2.0000D-01, & ! + \n & 1.0000D+00, 5.0000D-01, 0.0000D+00, 1.0000D+00, 1.3000D-01, & ! 1 \n & 1.0000D+00, 8.0000D-01, 5.0000D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 2.6800D-01, 1.0000D+00, 8.7400D-01, 0.0000D+00, & ! 2 \n & 0.0000D+00, 1.0000D+00, 0.0000D+00, 1.4000D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 3 \n & 1.0000D+00, 1.0000D+00, 9.9100D-01, 2.0000D+00, 3.3000D-01, & ! + \n & 7.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 4 \n & 1.0000D+00, 1.0000D+00, 0.0000D+00, 1.8000D-01, 1.5500D-01, & ! + \n & 1.5500D-01, 1.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, & ! 5 \n & 1.0000D+00, 1.0000D+00, 1.6000D-02, 1.4000D-01, 1.5000D-02, & ! + \n & 1.9300D-01, 3.4000D-02, 1.4600D-01, 1.0000D+00, 1.0000D+00, & ! 6 \n & 1.0000D+00, 2.8000D-02, 4.7300D-01, 6.0000D-03, 0.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 5.0000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 6.8800D-01, 1.0000D+00, & ! 8 \n & 4.2200D-01, 7.1100D-01, 3.7000D-01, 2.4000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 4.8570D-01, 3.0030D-01, 3.8560D-01, & ! O \n & 2.1810D-01, 2.4120D-01, 6.6640D-01, 2.8580D-01, 3.3030D-01, & ! + \n & 3.4440D-01, 3.8860D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 5.8000D-01, 5.2000D-01, & ! 2 \n & 4.5000D-02, 5.8000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 5.0000D-01, & ! + \n & 1.0000D+00, 1.0000D+00, 5.0000D-01, 5.0000D-01, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 2.0000D-01, 1.0000D+00, & ! 6 \n & 1.0000D+00, 1.0000D+00, 2.0000D+00, 1.0000D+00, 2.5000D-01, & ! + \n & 0.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 7 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 2.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 1.0000D+00, 2.0000D+00, 2.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! O \n & 0.0000D+00, 1.0000D+00, 4.0000D-01, 0.0000D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 1.0000D+00, 2.5000D-01, 0.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 2 \n & 1.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 4 \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 2.5000D-01, & ! + \n & 1.0000D+00, 1.0000D+00, 2.5000D-01/ ! 5 \n\n DATA ( SC( IRXXN, 3 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.1000D-01, & ! + \n & 0.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 4.0000D-01, 1.3000D-01, 0.0000D+00, 0.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 4.0000D-01, 1.3000D-01, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 9.0000D-01, 3.7000D-01, 0.0000D+00, & ! 7 \n & 0.0000D+00, 2.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 8.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.0000D-01, & ! 8 \n & 0.0000D+00, 4.0000D-01, 1.0000D+00, 6.0000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 2.0000D-01, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 8.0000D-01, 1.4000D+00, 0.0000D+00, & ! 1 \n & 2.0000D-01, 0.0000D+00, 5.0000D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 9.0000D-03, & ! 2 \n & 0.0000D+00, 1.0000D-01, 5.0000D-01, 1.3800D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 7.4000D-01, 0.0000D+00, 0.0000D+00, & ! 3 \n & 3.0000D-01, 1.0000D+00, 1.5600D+00, 2.7000D-01, 5.0000D-01, & ! + \n & 1.0000D-01, 4.8800D-01, 2.7000D-01, 4.8000D-01, 1.0000D-01, & ! 4 \n & 1.0000D+00, 1.2800D-01, 4.8000D-01, 1.0000D+00, 2.5000D-01, & ! + \n & 6.7300D-01, 1.2000D-01, 7.2800D-01, 7.2800D-01, 0.0000D+00, & ! 5 \n & 1.5000D-01, 6.4000D-01, 1.1500D-01, 5.3100D-01, 1.4200D-01, & ! + \n & 1.6000D-01, 6.7000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 2.7500D-01, 2.7500D-01, 2.2000D-01, 2.7500D-01, 1.0000D+00, & ! + \n & 1.0000D+00, 2.5000D-01, 6.9000D-01, 7.5000D-01, 1.0000D+00, & ! 7 \n & 2.5000D-01, 6.9000D-01, 7.5000D-01, 3.5200D-01, 9.1800D-01, & ! + \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 7.2000D-01, 4.1700D-01, & ! 8 \n & 7.7000D-01, 0.0000D+00, 7.7000D-01, 6.0200D-01, 6.0200D-01, & ! + \n & 2.2100D-01, 0.0000D+00, 3.5000D-01, 3.5000D-01, 1.0000D+00, & ! 9 \n & 4.8000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 7.0000D-01, 2.0000D+00, 6.0000D-01, 4.5000D-01, & ! O \n & 1.0000D+00, 4.0000D-01, 5.0000D-01, 0.0000D+00, 5.0000D-01, & ! + \n & 0.0000D+00, 5.0000D-01, 0.0000D+00, 0.0000D+00, 1.3000D-01, & ! 1 \n & 1.0000D+00, 1.8000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 2.6800D-01, 0.0000D+00, 1.2600D-01, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, & ! 3 \n & 0.0000D+00, 9.7000D-01, 9.9100D-01, 1.0000D+00, 6.7000D-01, & ! + \n & 4.5000D-01, 9.6000D-01, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 1.0000D+00, 1.0000D+00, 0.0000D+00, 6.5000D-01, 5.4400D-01, & ! + \n & 5.4400D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 5.1000D-02, 0.0000D+00, 2.3000D-02, & ! + \n & 0.0000D+00, 3.9200D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 2.2500D-01, 0.0000D+00, 5.2000D-02, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 6.2000D-03, 2.8620D-01, 9.5000D-02, & ! O \n & 3.0630D-01, 2.0890D-01, 1.4300D-02, 3.9310D-01, 2.2720D-01, & ! + \n & 2.7490D-01, 2.4210D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! + \n & 1.0000D+00, 9.6000D-01, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! 6 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 6.0000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 4.5000D-01, 1.0000D+00/ ! 5 \n\n DATA ( SC( IRXXN, 4 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.1000D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 4.0000D-01, 5.0000D-01, 0.0000D+00, 0.0000D+00, 2.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 4.0000D-01, 5.0000D-01, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.0000D-01, 1.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 8.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 8.0000D-01, & ! 8 \n & 0.0000D+00, 4.0000D-01, 0.0000D+00, 4.0000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.0000D-01, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 0.0000D+00, 1.5000D-01, 0.0000D+00, & ! 1 \n & 1.0000D+00, 0.0000D+00, 5.0000D-01, 0.0000D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, & ! 2 \n & 0.0000D+00, 1.0000D-01, 5.0000D-01, 6.2000D-01, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 3.7000D-01, 0.0000D+00, 0.0000D+00, & ! 3 \n & 3.0000D-01, 7.0000D-01, 2.2000D-01, 1.7000D-01, 5.0000D-01, & ! + \n & 2.0000D-01, 9.7600D-01, 1.5000D-01, 4.8000D-01, 1.0000D-01, & ! 4 \n & 1.0000D+00, 2.4500D-01, 4.8000D-01, 0.0000D+00, 2.5000D-01, & ! + \n & 9.0000D-01, 1.2000D-01, 7.2000D-02, 7.2000D-02, 0.0000D+00, & ! 5 \n & 2.0000D-01, 3.3000D-01, 1.1500D-01, 1.7000D-01, 1.4200D-01, & ! + \n & 3.4000D-01, 6.7000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 1.1250D+00, 1.2500D-01, 1.0000D-01, 1.2500D-01, 4.4400D-01, & ! + \n & 0.0000D+00, 1.5000D+00, 1.8000D-01, 2.5000D-01, 0.0000D+00, & ! 7 \n & 1.5000D+00, 1.8000D-01, 2.5000D-01, 1.1800D-01, 9.1800D-01, & ! + \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D-01, 4.4300D-01, & ! 8 \n & 2.3000D-01, 0.0000D+00, 2.3000D-01, 2.4400D-01, 2.4400D-01, & ! + \n & 6.7500D-01, 0.0000D+00, 6.5000D-01, 6.5000D-01, 2.0000D-01, & ! 9 \n & 1.2000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 1.0000D+00, 7.0000D-01, 2.0000D+00, 1.0000D-01, 4.5000D-01, & ! O \n & 0.0000D+00, 4.0000D-01, 1.2000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 8.0000D-01, 0.0000D+00, 0.0000D+00, 5.0000D-01, & ! 1 \n & 2.0000D+00, 2.0000D-01, 5.0000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 0.0000D+00, 8.7400D-01, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 3.0000D-02, 9.0000D-03, 1.0000D+00, 2.0000D+00, & ! + \n & 5.5000D-01, 4.0000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 7.2000D-01, 6.0200D-01, & ! + \n & 6.0200D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 4.7000D-02, 0.0000D+00, 6.0000D-02, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 1.9100D-01, 0.0000D+00, 8.1000D-02, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 2.5000D-03, 4.1000D-03, 1.3730D-01, & ! O \n & 1.5300D-02, 3.0000D-01, 1.2300D-02, 1.3900D-02, 2.6070D-01, & ! + \n & 4.9100D-02, 6.4000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & -1.0000D+00, 4.0000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 1.0000D+00, 4.5000D-01, 1.0000D+00/ ! 5 \n\n DATA ( SC( IRXXN, 5 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 4.0000D-01, 5.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.0000D-01, 5.0000D-01, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 9.0000D-01, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 0.0000D+00, 1.9000D-01, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 7.8000D-02, 5.0000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 4.0000D-02, 0.0000D+00, 0.0000D+00, & ! 3 \n & 3.0000D-01, 7.0000D-01, 0.0000D+00, 4.2000D-01, 1.0000D+00, & ! + \n & 2.0000D-01, 1.9500D-01, 1.5000D-01, 4.0000D-02, 1.0000D-01, & ! 4 \n & 0.0000D+00, 5.0000D-01, 4.0000D-02, 0.0000D+00, 2.5000D-01, & ! + \n & 8.1800D-01, 1.2000D-01, 8.0000D-01, 1.0720D+00, 0.0000D+00, & ! 5 \n & 3.5000D-01, 3.0000D-02, 2.6900D-01, 1.7000D-01, 1.4200D-01, & ! + \n & 2.0800D-01, 2.9000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 8.2500D-01, 8.2500D-01, 6.6000D-01, 8.2500D-01, 1.8500D-01, & ! + \n & 0.0000D+00, 2.8000D-01, 9.4000D-01, 1.2800D+00, 0.0000D+00, & ! 7 \n & 2.8000D-01, 9.4000D-01, 1.2800D+00, 1.1800D-01, 9.1800D-01, & ! + \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D-01, 6.6000D-01, & ! 8 \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 2.4400D-01, 2.4400D-01, & ! + \n & 3.0000D-01, 0.0000D+00, 1.0000D+00, 1.0000D+00, 7.3200D-01, & ! 9 \n & 2.4000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 3.0000D-01, 0.0000D+00, 5.0000D-01, 1.0000D-01, & ! O \n & 0.0000D+00, 0.0000D+00, 8.0000D-02, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 2.0000D-01, 0.0000D+00, 0.0000D+00, 5.0000D-01, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, & ! + \n & 3.0000D-01, 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D-01, 2.4400D-01, & ! + \n & 2.4400D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 2.6000D-03, 3.5000D-03, 5.0000D-04, & ! O \n & 1.0430D-01, 2.0280D-01, 1.2390D-01, 1.0270D-01, 7.0200D-02, & ! + \n & 2.5770D-01, 3.8500D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.4000D-01, 0.0000D+00/ ! 5 \n\n DATA ( SC( IRXXN, 6 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 5.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.0000D-01, 5.0000D-01, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.1000D-01, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 1.1000D-02, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 9.4000D-01, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 3.0000D-01, 0.0000D+00, 0.0000D+00, 1.1250D+00, & ! + \n & 2.0000D-01, 2.4000D-02, 3.3400D-01, 1.0000D+00, 1.0000D-01, & ! 4 \n & 0.0000D+00, 3.0000D-01, 1.0000D+00, 0.0000D+00, 2.5000D-01, & ! + \n & 8.2000D-02, 0.0000D+00, 2.0000D-01, 0.0000D+00, 0.0000D+00, & ! 5 \n & 2.6600D-01, 1.0000D+00, 2.6900D-01, 5.4300D-01, 1.1300D-01, & ! + \n & 2.6000D-01, 2.9000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 3.7500D-01, 3.7500D-01, 3.0000D-01, 3.7500D-01, 1.0400D-01, & ! + \n & 0.0000D+00, 1.6600D+00, 2.4000D-01, 4.7000D-01, 0.0000D+00, & ! 7 \n & 1.6600D+00, 2.4000D-01, 4.7000D-01, 5.3000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 7.0000D-02, 2.0000D-01, & ! 8 \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 5.8000D-02, 5.8000D-02, & ! + \n & 5.6000D-01, 0.0000D+00, 1.0000D+00, 1.0000D+00, 2.0000D-02, & ! 9 \n & 2.4000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.0000D-01, 1.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 2.0000D-02, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 5.0000D-01, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00,-1.2600D-01, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00,-1.0000D+00, & ! + \n & 3.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D-01, 2.4400D-01, & ! + \n & 2.4400D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 2.3000D-03, 2.2390D-01, 2.0510D-01, & ! O \n & 1.8930D-01, 4.7100D-02, 1.8310D-01, 2.0450D-01, 1.1160D-01, & ! + \n & 7.3900D-02, 2.6670D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 5.5000D-01, 0.0000D+00/ ! 5 \n\n DATA ( SC( IRXXN, 7 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.1000D-01, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00,-2.5000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 9.8000D-01, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 1.0000D-02, 1.1950D+00, 8.0000D-02, 5.0000D-01, 0.0000D+00, & ! 4 \n & 0.0000D+00, 3.0000D-01, 5.0000D-01, 0.0000D+00, 2.5000D-01, & ! + \n & 8.2000D-02, 0.0000D+00, 8.7200D-01, 0.0000D+00, 0.0000D+00, & ! 5 \n & 2.0000D-01, 3.5000D-01, 4.5700D-01, 4.6100D-01, 1.1300D-01, & ! + \n & 2.4000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 7.4000D-02, 1.0000D+00, 2.0000D-01, 2.5100D-01, 5.9200D-01, & ! + \n & 0.0000D+00, 4.7000D-01, 1.0000D-03, 5.3000D-01, 0.0000D+00, & ! 7 \n & 4.7000D-01, 1.0000D-03, 5.3000D-01, 1.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.8000D-01, 8.6000D-01, & ! 8 \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 1.5500D-01, 1.5500D-01, & ! + \n & 8.6000D-01, 0.0000D+00, 1.0000D+00, 0.0000D+00, 2.0000D-02, & ! 9 \n & 4.8000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.0000D-01, 2.5000D-01, & ! O \n & 0.0000D+00, 0.0000D+00, 1.9800D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 1.7000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 7.0000D-02, 5.8000D-02, & ! + \n & 5.8000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 2.9440D-01, 1.8200D-01, 1.7640D-01, & ! O \n & 1.6680D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00/ ! 5 \n\n DATA ( SC( IRXXN, 8 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.1000D-01, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 2.0000D-02, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 2.1000D-01,-7.3000D-01, 3.7800D-01, 2.5000D-01, 0.0000D+00, & ! 4 \n & 0.0000D+00, 2.4000D-01, 6.2500D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 2.0000D-01, 3.5000D-01, 1.1700D-01, 1.5000D-01, 7.1700D-01, & ! + \n & 2.4000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 2.5100D-01, 2.5100D-01, 1.7400D+00, 2.1750D+00, 3.3100D-01, & ! + \n & 0.0000D+00, 1.0000D+00, 7.0000D+00, 1.0000D+00, 0.0000D+00, & ! 7 \n & 1.0000D+00, 7.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 1.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.5000D-01, & ! O \n & 0.0000D+00, 0.0000D+00, 5.6000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.8000D-01, 1.5500D-01, & ! + \n & 1.5500D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 2.0210D-01, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00/ ! 5 \n\n DATA ( SC( IRXXN, 9 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00,-2.7000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 2.0000D-01, 0.0000D+00, 7.5000D-02, 3.7500D-01, 0.0000D+00, & ! 4 \n & 0.0000D+00, 6.0000D-02, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 6.6000D-02, 1.0000D+00, 1.3700D-01, 3.9800D-01, 7.1700D-01, & ! + \n & 1.7000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 2.1750D+00, 2.1750D+00, 8.0000D-01, 1.0000D+00, 1.8500D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 2.1000D-01, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 2.1000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 7.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.9000D-03, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00/ ! 5 \n\n DATA ( SC( IRXXN, 10 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 1.0000D-01, 0.0000D+00, 7.5000D-02,-1.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 2.9000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 6.6000D-02, 0.0000D+00, 1.3700D-01, 1.4300D-01, 2.8400D-01, & ! + \n & 1.2800D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 2.0000D-01, 0.0000D+00, 2.7000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 3.9000D-01, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 3.9000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 2.3000D-03, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00/ ! 5 \n\n DATA ( SC( IRXXN, 11 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 9.0000D-02, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 8.0000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 1.3700D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 8.4000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 8.0000D-01, 0.0000D+00, 9.8000D-02, & ! + \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00/ ! 5 \n\n DATA ( SC( IRXXN, 12 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.3000D-01, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 8.0000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 6.5800D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 7.8000D-02, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00/ ! 5 \n\n DATA ( SC( IRXXN, 13 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 4.0000D-02, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.6600D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00/ ! 5 \n\n DATA ( SC( IRXXN, 14 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00,-7.9000D-01, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00/ ! 5 \n\n INTEGER :: NREACT( NRXNS )\n\n DATA ( NREACT( IRXXN ), IRXXN = 1, NRXNS ) / & \n & 1, 1, 2, 2, 2, 2, 2, 1, 1, 1, & ! O \n & 1, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 1 \n & 1, 2, 2, 2, 2, 2, 1, 1, 2, 2, & ! 2 \n & 2, 2, 2, 2, 2, 2, 1, 1, 1, 2, & ! 3 \n & 2, 2, 1, 2, 2, 2, 1, 2, 1, 1, & ! 4 \n & 2, 2, 2, 2, 1, 1, 2, 2, 2, 2, & ! 5 \n & 2, 2, 1, 1, 2, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 1, 2, 1, & ! 8 \n & 2, 1, 2, 2, 2, 2, 1, 1, 2, 2, & ! 9 \n & 2, 1, 2, 2, 2, 2, 2, 1, 2, 2, & ! O \n & 2, 1, 2, 1, 2, 2, 1, 2, 1, 2, & ! 1 \n & 2, 1, 2, 1, 2, 2, 2, 1, 1, 2, & ! 2 \n & 2, 2, 1, 1, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 1, 2, 2, 2, 2, 2, & ! 5 \n & 1, 2, 1, 2, 2, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 9 \n & 1, 1, 2, 2, 2, 1, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 1, 2, 2, 2, 2, 2, 2, & ! 1 \n & 1, 1, 1, 1, 2, 1, 1, 2, 2, 2, & ! 2 \n & 2, 2, 2, 1, 1, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 1, 2, 1, 1, 1, 1, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 1, & ! 6 \n & 1, 1, 1, 1, 2, 2, 2, 1, 1, 2, & ! 7 \n & 1, 1, 1, 2, 2, 2, 2, 2, 2, 1, & ! 8 \n & 1, 1, 1, 1, 1, 1, 1, 2, 2, 2, & ! 9 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 2, 1, 1, 2, 2, 2, & ! 1 \n & 2, 1, 2, 2, 2, 2, 2, 2, 2, 2, & ! 2 \n & 1, 2, 2, 2, 2, 1, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 6 \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! 7 \n & 1, 1, 1, 2, 2, 2, 2, 2, 2, 1, & ! 8 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 9 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 1, & ! O \n & 1, 1, 1, 2, 2, 2, 2, 2, 1, 1, & ! 1 \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! 2 \n & 1, 1, 1, 1, 2, 1, 1, 1, 1, 1, & ! 3 \n & 1, 1, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2/ ! 5 \n INTEGER :: NPRDCT( NRXNS )\n\n DATA ( NPRDCT( IRXXN ), IRXXN = 1, NRXNS ) / & \n & 2, 1, 1, 1, 1, 1, 0, 1, 1, 1, & ! O \n & 1, 1, 1, 1, 1, 1, 1, 0, 1, 1, & ! 1 \n & 1, 1, 2, 1, 2, 1, 2, 1, 1, 2, & ! 2 \n & 1, 2, 2, 1, 1, 1, 2, 2, 1, 1, & ! 3 \n & 1, 2, 2, 1, 1, 1, 2, 1, 2, 4, & ! 4 \n & 1, 3, 3, 1, 2, 5, 6, 1, 2, 4, & ! 5 \n & 4, 1, 2, 6, 6, 1, 2, 1, 1, 0, & ! 6 \n & 3, 2, 5, 4, 2, 1, 4, 2, 1, 1, & ! 7 \n & 3, 1, 2, 1, 4, 1, 4, 3, 4, 2, & ! 8 \n & 1, 1, 1, 2, 1, 2, 2, 1, 3, 3, & ! 9 \n & 1, 2, 3, 4, 2, 1, 2, 4, 2, 1, & ! O \n & 2, 5, 3, 8, 2, 4, 2, 5, 3, 4, & ! 1 \n & 2, 1, 1, 2, 4, 2, 6, 7, 4, 4, & ! 2 \n & 1, 1, 9, 2, 1, 5, 6, 4, 5, 6, & ! 3 \n & 10, 8, 14, 10, 6, 4, 12, 9, 3, 7, & ! 4 \n & 7, 5, 7, 5, 2, 10, 9, 12, 10, 10, & ! 5 \n & 11, 6, 2, 2, 2, 9, 9, 11, 9, 13, & ! 6 \n & 3, 8, 11, 8, 3, 8, 11, 7, 7, 5, & ! 7 \n & 5, 0, 4, 8, 7, 7, 0, 6, 8, 8, & ! 8 \n & 7, 0, 7, 6, 7, 9, 1, 1, 2, 3, & ! 9 \n & 4, 5, 4, 7, 8, 3, 4, 8, 2, 3, & ! O \n & 2, 5, 1, 2, 6, 4, 4, 4, 2, 2, & ! 1 \n & 2, 5, 2, 6, 1, 1, 2, 1, 2, 2, & ! 2 \n & 1, 3, 2, 3, 3, 2, 5, 5, 4, 6, & ! 3 \n & 8, 5, 3, 2, 2, 3, 3, 1, 9, 9, & ! 4 \n & 9, 2, 1, 2, 2, 2, 2, 4, 2, 4, & ! 5 \n & 2, 3, 2, 2, 2, 2, 4, 2, 4, 1, & ! 6 \n & 2, 2, 1, 1, 1, 1, 1, 2, 1, 1, & ! 7 \n & 1, 1, 1, 2, 2, 2, 2, 2, 2, 0, & ! 8 \n & 1, 1, 1, 1, 1, 1, 1, 3, 1, 3, & ! 9 \n & 1, 2, 10, 7, 7, 7, 6, 6, 6, 6, & ! O \n & 6, 6, 1, 1, 1, 0, 0, 1, 1, 1, & ! 1 \n & 1, 0, 1, 2, 2, 2, 2, 1, 1, 1, & ! 2 \n & 0, 1, 1, 1, 1, 0, 1, 1, 1, 3, & ! 3 \n & 2, 2, 3, 3, 1, 1, 1, 1, 1, 1, & ! 4 \n & 2, 2, 2, 2, 2, 1, 1, 2, 3, 2, & ! 5 \n & 5, 5, 2, 3, 2, 3, 3, 3, 4, 4, & ! 6 \n & 1, 2, 2, 2, 2, 2, 2, 3, 3, 4, & ! 7 \n & 4, 2, 2, 1, 1, 2, 2, 2, 2, 1, & ! 8 \n & 1, 1, 2, 1, 1, 1, 2, 2, 2, 2, & ! 9 \n & 2, 2, 2, 2, 2, 1, 2, 3, 1, 2, & ! O \n & 1, 2, 2, 1, 1, 1, 2, 4, 1, 2, & ! 1 \n & 2, 1, 2, 2, 2, 2, 2, 1, 2, 2, & ! 2 \n & 2, 2, 3, 3, 2, 1, 0, 0, 0, 0, & ! 3 \n & 0, 0, 2, 2, 2, 2, 1, 1, 3, 3, & ! 4 \n & 4, 6, 4/ ! 5 \n\n INTEGER, PARAMETER :: MHETERO = 39\n INTEGER :: IHETERO( MHETERO,2 )\n\n DATA ( IHETERO( IRXXN,1 ), IRXXN = 1, MHETERO ) / & \n & 256, 257, 270, 271, 272, 273, 274, 275, 276, 277, & \n & 278, 279, 280, 281, 282, 283, 299, 301, 382, 383, & \n & 384, 385, 386, 387, 388, 389, 390, 437, 438, 439, & \n & 440, 441, 442, 443, 444, 445, 446, 447, 448/\n\n DATA ( IHETERO( IRXXN,2 ), IRXXN = 1, MHETERO ) / & \n & 1, 2, 3, 4, 5, 6, 7, 8, 8, 9, & \n & 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, & \n & 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, & \n & 30, 31, 32, 33, 34, 35, 36, 37, 38/\n\n INTEGER, PARAMETER :: NPHOTAB = 56\n CHARACTER( 16 ) :: PHOTAB( NPHOTAB )\n\n DATA ( PHOTAB( IRXXN ), IRXXN = 1, NPHOTAB ) / & \n & 'NO2_IUPAC10 ', 'O3_O3P_IUPAC10 ', 'O3_O1D_IUPAC10 ', & \n & 'H2O2_IUPAC10 ', 'NO3NO2_06 ', 'NO3NO_06 ', & \n & 'N2O5_IUPAC10 ', 'HONO_IUPAC10 ', 'HNO3_IUPAC10 ', & \n & 'PNA_IUPAC10 ', 'PAN_IUPAC10 ', 'MEPX_IUPAC10 ', & \n & 'NTR_IUPAC10 ', 'FORM_R_IUPAC13 ', 'FORM_M_IUPAC13 ', & \n & 'ALD2_R_IUPAC13 ', 'ALDX_R_IUPAC13 ', 'GLYD_IUPAC13 ', & \n & 'GLY_R_IUPAC13 ', 'MGLY_IUPAC10 ', 'KET_IUPAC10 ', & \n & 'ACET_IUPAC10 ', 'ISPD ', 'HPALD ', & \n & 'CL2_IUPAC04 ', 'HOCL_IUPAC04 ', 'FMCL_IUPAC04 ', & \n & 'CLNO2_IUPAC13 ', 'CLONO2_1 ', 'CLONO2_2 ', & \n & 'IC3ONO2 ', 'ACRO_09 ', 'BR2_IUPAC10 ', & \n & 'HOBR_IUPAC10 ', 'BRO_IUPAC10 ', 'BRNO2_IUPAC10 ', & \n & 'BRONO2_M_IUPAC10', 'BRONO2_R_IUPAC10', 'BRCL_IUPAC10 ', & \n & 'COHBR_JPL2010 ', 'MB3_IUPAC10 ', 'MB2C_BLIDE98 ', & \n & 'MBC2_BLIDE98 ', 'I2_IUPAC10 ', 'HOI_IUPAC10 ', & \n & 'IO_IUPAC10 ', 'OIO_06 ', 'INO_06 ', & \n & 'INO2_06 ', 'IONO2_06 ', 'ICL_IUPAC10 ', & \n & 'IBR_IUPAC10 ', 'CH3I_IUPAC10 ', 'MI2_IUPAC10 ', & \n & 'MIB_IUPAC10 ', 'MIC_IUPAC10 '/\n\n INTEGER, PARAMETER :: NHETERO = 38\n CHARACTER( 16 ) :: HETERO( NHETERO )\n\n DATA ( HETERO( IRXXN ), IRXXN = 1, NHETERO ) / & \n & 'HETERO_CLNO3_WAI', 'HETERO_CLNO3_WAJ', 'HETERO_NTR2 ', &\n & 'HETERO_N2O5IJ ', 'HETERO_N2O5K ', 'HETERO_H2NO3PAIJ', &\n & 'HETERO_H2NO3PAK ', 'HETERO_H2NO3PBIJ', 'HETERO_H2NO3PBK ', &\n & 'HETERO_NO2 ', 'HETERO_IEPOX ', 'HETERO_IEPOXOS ', &\n & 'HETERO_TETROL ', 'HETERO_GLY ', 'HETERO_MGLY ', &\n & 'HETERO_PNCOMLI ', 'HETERO_PNCOMLJ ', 'HETERO_BRNO3_WAI', &\n & 'HETERO_BRNO3_WAJ', 'HETERO_HOBR_CLJ ', 'HETERO_HOBR_BRJ ', &\n & 'HETERO_BRNO3_CLJ', 'HETERO_BRNO3_BRJ', 'HETERO_BRNO2_CLJ', &\n & 'HETERO_BRNO2_BRJ', 'HETERO_HBR_BRJ ', 'HETERO_I2O2_AI ', &\n & 'HETERO_I2O2_AJ ', 'HETERO_I2O3_AI ', 'HETERO_I2O3_AJ ', &\n & 'HETERO_I2O4_AI ', 'HETERO_I2O4_AJ ', 'HETERO_INO3_CLJ ', &\n & 'HETERO_INO3_BRJ ', 'HETERO_INO2_CLJ ', 'HETERO_INO2_BRJ ', &\n & 'HETERO_HOI_CLJ ', 'HETERO_HOI_BRJ '/\n\n CHARACTER( 16 ) :: RXLABEL( NRXNS )\n\n DATA ( RXLABEL( IRXXN ), IRXXN = 1, NRXNS ) / & \n & 'R1 ', 'R2 ', 'R3 ', & ! 0 \n & 'R4 ', 'R5 ', 'R6 ', & ! 1 \n & 'R7 ', 'R8 ', 'R9 ', & ! 2 \n & 'R10 ', 'R11 ', 'R12 ', & ! 3 \n & 'R13 ', 'R14 ', 'R15 ', & ! 4 \n & 'R16 ', 'R17 ', 'R18 ', & ! 5 \n & 'R19 ', 'R20 ', 'R21 ', & ! 6 \n & 'R22 ', 'R23 ', 'R24 ', & ! 7 \n & 'R25 ', 'R26 ', 'R27 ', & ! 8 \n & 'R28 ', 'R29 ', 'R30 ', & ! 9 \n & 'R31 ', 'R32 ', 'R33 ', & ! 0 \n & 'R34 ', 'R35 ', 'R36 ', & ! 1 \n & 'R37 ', 'R38 ', 'R39 ', & ! 2 \n & 'R40 ', 'R41 ', 'R42 ', & ! 3 \n & 'R43 ', 'R44 ', 'R45 ', & ! 4 \n & 'R46 ', 'R47 ', 'R48 ', & ! 5 \n & 'R49 ', 'R50 ', 'R51 ', & ! 6 \n & 'R52 ', 'R53 ', 'R54 ', & ! 7 \n & 'R55 ', 'R56 ', 'R57 ', & ! 8 \n & 'R58 ', 'R59 ', 'R60 ', & ! 9 \n & 'R61 ', 'R62 ', 'R63 ', & ! 0 \n & 'R64 ', 'R65 ', 'R66 ', & ! 1 \n & 'R67 ', 'R68 ', 'R69 ', & ! 2 \n & 'R70 ', 'R71 ', 'R72 ', & ! 3 \n & 'R73 ', 'R74 ', 'R75 ', & ! 4 \n & 'R76 ', 'R77 ', 'R78 ', & ! 5 \n & 'R79 ', 'R80 ', 'R81 ', & ! 6 \n & 'R82 ', 'R83 ', 'R84 ', & ! 7 \n & 'R85 ', 'R86 ', 'R87 ', & ! 8 \n & 'R88 ', 'R89 ', 'R90 ', & ! 9 \n & 'R91 ', 'R92 ', 'R93 ', & ! 0 \n & 'R94 ', 'R95 ', 'R96 ', & ! 1 \n & 'R97 ', 'R98 ', 'R99 ', & ! 2 \n & 'R100 ', 'R101 ', 'R102 ', & ! 3 \n & 'R103 ', 'R104 ', 'R105 ', & ! 4 \n & 'R106 ', 'R107 ', 'R108 ', & ! 5 \n & 'R109 ', 'R110 ', 'R111 ', & ! 6 \n & 'R112 ', 'R113 ', 'R114 ', & ! 7 \n & 'R115 ', 'R116 ', 'R117 ', & ! 8 \n & 'R118 ', 'R119 ', 'R120 ', & ! 9 \n & 'R121 ', 'R122 ', 'R123 ', & ! 0 \n & 'R124 ', 'R125 ', 'R126 ', & ! 1 \n & 'R127 ', 'R128 ', 'R129 ', & ! 2 \n & 'R130 ', 'R131 ', 'R132 ', & ! 3 \n & 'R133 ', 'R134 ', 'R135 ', & ! 4 \n & 'R136 ', 'R137 ', 'R138 ', & ! 5 \n & 'R139 ', 'R140 ', 'R141 ', & ! 6 \n & 'R142 ', 'R143 ', 'R144 ', & ! 7 \n & 'R145 ', 'R146 ', 'R147 ', & ! 8 \n & 'R148 ', 'R149 ', 'R150 ', & ! 9 \n & 'R151 ', 'R152 ', 'R153 ', & ! 0 \n & 'R154 ', 'R155 ', 'R156 ', & ! 1 \n & 'R157 ', 'R158 ', 'R159 ', & ! 2 \n & 'R160 ', 'R161 ', 'R162 ', & ! 3 \n & 'R163 ', 'R164 ', 'R165 ', & ! 4 \n & 'R166 ', 'R167 ', 'R168 ', & ! 5 \n & 'R169 ', 'R170 ', 'R171 ', & ! 6 \n & 'R172 ', 'R173 ', 'R174 ', & ! 7 \n & 'R171a ', 'R172a ', 'R173a ', & ! 8 \n & 'R174a ', 'R175 ', 'R176 ', & ! 9 \n & 'R177 ', 'R178 ', 'R179 ', & ! 0 \n & 'R180 ', 'R181 ', 'R182 ', & ! 1 \n & 'R183 ', 'R184 ', 'R185 ', & ! 2 \n & 'R185a ', 'R186 ', 'R187 ', & ! 3 \n & 'R188 ', 'R189 ', 'R190 ', & ! 4 \n & 'R191 ', 'R192 ', 'R193 ', & ! 5 \n & 'R194 ', 'R195 ', 'R196 ', & ! 6 \n & 'R197 ', 'R198 ', 'R199 ', & ! 7 \n & 'R200 ', 'R201 ', 'R202 ', & ! 8 \n & 'R203 ', 'R204 ', 'R205 ', & ! 9 \n & 'R206 ', 'R207 ', 'R208 ', & ! 0 \n & 'R209 ', 'R210 ', 'R211 ', & ! 1 \n & 'R212 ', 'R213 ', 'R214 ', & ! 2 \n & 'R216 ', 'R217 ', 'R218 ', & ! 3 \n & 'R219 ', 'R220 ', 'R221 ', & ! 4 \n & 'CL1 ', 'CL2 ', 'CL3 ', & ! 5 \n & 'CL4 ', 'CL5 ', 'CL6 ', & ! 6 \n & 'CL7 ', 'CL8 ', 'CL9 ', & ! 7 \n & 'CL10 ', 'CL11 ', 'CL12 ', & ! 8 \n & 'CL13 ', 'CL14 ', 'CL15 ', & ! 9 \n & 'CL16 ', 'CL17 ', 'CL18 ', & ! 0 \n & 'CL19 ', 'CL20 ', 'CL21 ', & ! 1 \n & 'CL22 ', 'CL23 ', 'CL24 ', & ! 2 \n & 'CL25 ', 'CL26 ', 'CL27 ', & ! 3 \n & 'CL28 ', 'CL30 ', 'CL31 ', & ! 4 \n & 'HET_CLNO3_WAI ', 'HET_CLNO3_WAJ ', 'SA01 ', & ! 5 \n & 'SA02 ', 'SA03 ', 'SA04 ', & ! 6 \n & 'SA06 ', 'SA07 ', 'SA08 ', & ! 7 \n & 'SA09 ', 'SA10 ', 'SA11 ', & ! 8 \n & 'SA12 ', 'SA13 ', 'HET_NTR2 ', & ! 9 \n & 'HET_N2O5IJ ', 'HET_N2O5K ', 'HET_H2NO3PIJA ', & ! 0 \n & 'HET_H2NO3PKA ', 'HET_H2NO3PIB ', 'HET_H2NO3PJB ', & ! 1 \n & 'HET_H2NO3PKB ', 'HET_N02 ', 'HET_IEPOX ', & ! 2 \n & 'HET_IEPOXOS ', 'HET_TETROL ', 'HET_GLY ', & ! 3 \n & 'HET_MGLY ', 'BL18a ', 'BL18b ', & ! 4 \n & 'BL18c ', 'BL18d ', 'CP07mtp ', & ! 5 \n & 'BP70mtp ', 'BP71mtp ', 'HYD_MT ', & ! 6 \n & 'OLIG_AROMATIC1 ', 'OLIG_AROMATIC2 ', 'OLIG_AROMATIC3 ', & ! 7 \n & 'OLIG_ISOPRENE1 ', 'OLIG_ISOPRENE2 ', 'OLIG_SESQT1 ', & ! 8 \n & 'RPOAGEPI ', 'RPOAGELI ', 'RPOAGEPJ ', & ! 9 \n & 'RPOAGELJ ', 'PCSOA ', 'POA_AGE1 ', & ! 0 \n & 'POA_AGE2 ', 'POA_AGE3 ', 'POA_AGE4 ', & ! 1 \n & 'POA_AGE5 ', 'POA_AGE6 ', 'POA_AGE7 ', & ! 2 \n & 'POA_AGE8 ', 'POA_AGE9 ', 'POA_AGE10 ', & ! 3 \n & 'T01 ', 'T02 ', 'T03 ', & ! 4 \n & 'T04 ', 'T05 ', 'TCL1 ', & ! 5 \n & 'T06 ', 'T07 ', 'T08 ', & ! 6 \n & 'T09 ', 'TCL2 ', 'T10 ', & ! 7 \n & 'T11 ', 'T12 ', 'TCL3 ', & ! 8 \n & 'T13 ', 'T14 ', 'T15 ', & ! 9 \n & 'T16 ', 'TCL4 ', 'T17 ', & ! 0 \n & 'T18 ', 'T19 ', 'T20 ', & ! 1 \n & 'TCL5 ', 'T21 ', 'TCL6 ', & ! 2 \n & 'HG1 ', 'HG2 ', 'HG3 ', & ! 3 \n & 'HG4 ', 'HG5 ', 'BR01 ', & ! 4 \n & 'BR02 ', 'BR03 ', 'BR04 ', & ! 5 \n & 'BR05 ', 'BR06 ', 'BR07 ', & ! 6 \n & 'BR08 ', 'BR09 ', 'BR10 ', & ! 7 \n & 'BR11 ', 'BR12 ', 'BR13 ', & ! 8 \n & 'BR14 ', 'BR15 ', 'BR16 ', & ! 9 \n & 'BR17 ', 'BR18 ', 'BR19 ', & ! 0 \n & 'BR20 ', 'BR22 ', 'BR23 ', & ! 1 \n & 'BR24 ', 'BR25 ', 'BR26 ', & ! 2 \n & 'BR27 ', 'BR28 ', 'BR29 ', & ! 3 \n & 'BR30 ', 'BR31 ', 'BR32 ', & ! 4 \n & 'BR33 ', 'BR34 ', 'BR35 ', & ! 5 \n & 'BR36 ', 'BR37 ', 'BR38 ', & ! 6 \n & 'HET_BRNO3_WAI ', 'HET_BRNO3_WAJ ', 'HET_HOBR_CLJ ', & ! 7 \n & 'HET_HOBR_BRJ ', 'HET_BRNO3_CLJ ', 'HET_BRNO3_BRJ ', & ! 8 \n & 'HET_BRNO2_CLJ ', 'HET_BRNO2_BRJ ', 'HET_HBR_BRJ ', & ! 9 \n & 'IO01 ', 'IO02 ', 'IO03 ', & ! 0 \n & 'IO04 ', 'IO05 ', 'IO06 ', & ! 1 \n & 'IO07 ', 'IO08 ', 'IO09 ', & ! 2 \n & 'IO10 ', 'IO11 ', 'IO12 ', & ! 3 \n & 'IO13 ', 'IO14 ', 'IO15 ', & ! 4 \n & 'IO16 ', 'IO17 ', 'IO18 ', & ! 5 \n & 'IO19 ', 'IO20 ', 'IO21 ', & ! 6 \n & 'IO22 ', 'IO23 ', 'IO24 ', & ! 7 \n & 'IO25 ', 'IO26 ', 'IO27 ', & ! 8 \n & 'IO28 ', 'IO29 ', 'IO30 ', & ! 9 \n & 'IO31 ', 'IO32 ', 'IO33 ', & ! 0 \n & 'IO34 ', 'IO35 ', 'IO36 ', & ! 1 \n & 'IO37 ', 'IO38 ', 'IO39 ', & ! 2 \n & 'IO40 ', 'IO41 ', 'IO42 ', & ! 3 \n & 'IO43 ', 'IO44 ', 'IO45 ', & ! 4 \n & 'IO46 ', 'HET_I2O2_AI ', 'HET_I2O2_AJ ', & ! 5 \n & 'HET_I2O3_AI ', 'HET_I2O3_AJ ', 'HET_I2O4_AI ', & ! 6 \n & 'HET_I2O4_AJ ', 'HET_INO3_CLJ ', 'HET_INO3_BRJ ', & ! 7 \n & 'HET_INO2_CLJ ', 'HET_INO2_BRJ ', 'HET_HOI_CLJ ', & ! 8 \n & 'HET_HOI_BRJ ', 'DMS1 ', 'DMS2 ', & ! 9 \n & 'DMS3 ', 'DMS4 ', 'DMS5 '/! 0 \n\n! NSPECIAL = Number of special rate coefficients\n! SPECIAL = Names of special rate coefficients\n! NSPECIAL_RXN = Number of reactions with special rates\n! ISPECIAL = Pointers to reactions using special rates and their special rate coefficients\n! MAXSPECTERMS = Max Number of terms type used by special rate coefficients\n! KC_COEFFS = Coefficients of standard rate coefficients times concentration terms \n! INDEX_KTERMS = Pointers to standard rate coefficients in special rate coefficients\n! INDEX_CTERMS = Pointers to species concentrations in special rate coefficients\n! OPERATOR_COEFFS = Coefficients of preceeding special rate coefficients used in special coefficient \n! OPERATORS = Pointers to preceeding special rate coefficients used in special coefficient \n\n! Special Rate information not available ..\n INTEGER, PARAMETER :: NSPECIAL_RXN = 0\n INTEGER :: ISPECIAL( 1, 2 )\n\n! Special Rate information not available ...\n INTEGER, PARAMETER :: NSPECIAL = 0\n\n! Special Rate information not available ...\n CHARACTER( 16 ) :: SPECIAL( 1 )\n\n INTEGER, PARAMETER :: MAXSPECTERMS = 1\n REAL( 8 ) :: KC_COEFFS( NSPECIAL + 1, MAXSPECTERMS)\n INTEGER :: INDEX_KTERMS( NSPECIAL + 1, MAXSPECTERMS)\n INTEGER :: INDEX_CTERMS( NSPECIAL + 1, MAXSPECTERMS)\n REAL( 8 ) :: OPERATOR_COEFFS( NSPECIAL + 1, MAXSPECTERMS)\n INTEGER :: OPERATORS( NSPECIAL + 1, MAXSPECTERMS)\n\n\n! Steady-state species section\n! N_SS_SPC = Number of species assumed to be in steady-state\n! SS_SPC_DIM = Dimension paramete for steady-state species\n! SS_SPC = Names of species assumed to be in steady-state\n! MAX_SS_LOSS = Max no. of SS loss rxns for any SS species\n! MAX_SS_PROD = Max no. of SS prod rxns for any SS species\n! N_LOSS_RXNS = No. of SS loss rxns for each SS species\n! N_PROD_RXNS = No. of SS prod rxns for each SS species\n! SS_LOSS_RXNS = List of SS loss rxns for each SS species\n! SS_PROD_RXNS = List of SS prod rxns for each SS species\n! SS_PROD_COEF = List of SS prod yields for each SS species\n! SS_RCT_IND = SS species index if it is a rxn reactant\n\n INTEGER, PARAMETER :: N_SS_SPC = 0\n\n INTEGER, PARAMETER :: SS_SPC_DIM = 1\n\n INTEGER, PARAMETER :: MAX_SS_LOSS = 0\n\n INTEGER, PARAMETER :: MAX_SS_PROD = 0\n\n CHARACTER( 16 ) :: SS_SPC( 1 )\n\n INTEGER :: N_LOSS_RXNS( 1 )\n INTEGER :: N_PROD_RXNS( 1 )\n INTEGER :: SS_LOSS_RXNS( 1, 1 )\n INTEGER :: SS_PROD_RXNS( 1, 1 )\n INTEGER :: SS_RCT_IND( 1 )\n\n REAL :: SS_PROD_COEF( 1,1 ) \n LOGICAL, PARAMETER :: USE_SPECIAL_RATES = .FALSE.\n! pointers and names to specific photolysis rates\n INTEGER, PARAMETER :: IJ_NO2_IUPAC10 = 1\n INTEGER, PARAMETER :: IJ_O3_O3P_IUPAC10 = 2\n INTEGER, PARAMETER :: IJ_O3_O1D_IUPAC10 = 3\n INTEGER, PARAMETER :: IJ_H2O2_IUPAC10 = 4\n INTEGER, PARAMETER :: IJ_NO3NO2_06 = 5\n INTEGER, PARAMETER :: IJ_NO3NO_06 = 6\n INTEGER, PARAMETER :: IJ_N2O5_IUPAC10 = 7\n INTEGER, PARAMETER :: IJ_HONO_IUPAC10 = 8\n INTEGER, PARAMETER :: IJ_HNO3_IUPAC10 = 9\n INTEGER, PARAMETER :: IJ_PNA_IUPAC10 = 10\n INTEGER, PARAMETER :: IJ_PAN_IUPAC10 = 11\n INTEGER, PARAMETER :: IJ_MEPX_IUPAC10 = 12\n INTEGER, PARAMETER :: IJ_NTR_IUPAC10 = 13\n INTEGER, PARAMETER :: IJ_FORM_R_IUPAC13 = 14\n INTEGER, PARAMETER :: IJ_FORM_M_IUPAC13 = 15\n INTEGER, PARAMETER :: IJ_ALD2_R_IUPAC13 = 16\n INTEGER, PARAMETER :: IJ_ALDX_R_IUPAC13 = 17\n INTEGER, PARAMETER :: IJ_GLYD_IUPAC13 = 18\n INTEGER, PARAMETER :: IJ_GLY_R_IUPAC13 = 19\n INTEGER, PARAMETER :: IJ_MGLY_IUPAC10 = 20\n INTEGER, PARAMETER :: IJ_KET_IUPAC10 = 21\n INTEGER, PARAMETER :: IJ_ACET_IUPAC10 = 22\n INTEGER, PARAMETER :: IJ_ISPD = 23\n INTEGER, PARAMETER :: IJ_HPALD = 24\n INTEGER, PARAMETER :: IJ_CL2_IUPAC04 = 25\n INTEGER, PARAMETER :: IJ_HOCL_IUPAC04 = 26\n INTEGER, PARAMETER :: IJ_FMCL_IUPAC04 = 27\n INTEGER, PARAMETER :: IJ_CLNO2_IUPAC13 = 28\n INTEGER, PARAMETER :: IJ_CLONO2_1 = 29\n INTEGER, PARAMETER :: IJ_CLONO2_2 = 30\n INTEGER, PARAMETER :: IJ_IC3ONO2 = 31\n INTEGER, PARAMETER :: IJ_ACRO_09 = 32\n INTEGER, PARAMETER :: IJ_BR2_IUPAC10 = 33\n INTEGER, PARAMETER :: IJ_HOBR_IUPAC10 = 34\n INTEGER, PARAMETER :: IJ_BRO_IUPAC10 = 35\n INTEGER, PARAMETER :: IJ_BRNO2_IUPAC10 = 36\n INTEGER, PARAMETER :: IJ_BRONO2_M_IUPAC10 = 37\n INTEGER, PARAMETER :: IJ_BRONO2_R_IUPAC10 = 38\n INTEGER, PARAMETER :: IJ_BRCL_IUPAC10 = 39\n INTEGER, PARAMETER :: IJ_COHBR_JPL2010 = 40\n INTEGER, PARAMETER :: IJ_MB3_IUPAC10 = 41\n INTEGER, PARAMETER :: IJ_MB2C_BLIDE98 = 42\n INTEGER, PARAMETER :: IJ_MBC2_BLIDE98 = 43\n INTEGER, PARAMETER :: IJ_I2_IUPAC10 = 44\n INTEGER, PARAMETER :: IJ_HOI_IUPAC10 = 45\n INTEGER, PARAMETER :: IJ_IO_IUPAC10 = 46\n INTEGER, PARAMETER :: IJ_OIO_06 = 47\n INTEGER, PARAMETER :: IJ_INO_06 = 48\n INTEGER, PARAMETER :: IJ_INO2_06 = 49\n INTEGER, PARAMETER :: IJ_IONO2_06 = 50\n INTEGER, PARAMETER :: IJ_ICL_IUPAC10 = 51\n INTEGER, PARAMETER :: IJ_IBR_IUPAC10 = 52\n INTEGER, PARAMETER :: IJ_CH3I_IUPAC10 = 53\n INTEGER, PARAMETER :: IJ_MI2_IUPAC10 = 54\n INTEGER, PARAMETER :: IJ_MIB_IUPAC10 = 55\n INTEGER, PARAMETER :: IJ_MIC_IUPAC10 = 56\n INTEGER, PARAMETER :: IK_HETERO_CLNO3_WAI = 1\n INTEGER, PARAMETER :: IK_HETERO_CLNO3_WAJ = 2\n INTEGER, PARAMETER :: IK_HETERO_NTR2 = 3\n INTEGER, PARAMETER :: IK_HETERO_N2O5IJ = 4\n INTEGER, PARAMETER :: IK_HETERO_N2O5K = 5\n INTEGER, PARAMETER :: IK_HETERO_H2NO3PAIJ = 6\n INTEGER, PARAMETER :: IK_HETERO_H2NO3PAK = 7\n INTEGER, PARAMETER :: IK_HETERO_H2NO3PBIJ = 8\n INTEGER, PARAMETER :: IK_HETERO_H2NO3PBK = 9\n INTEGER, PARAMETER :: IK_HETERO_NO2 = 10\n INTEGER, PARAMETER :: IK_HETERO_IEPOX = 11\n INTEGER, PARAMETER :: IK_HETERO_IEPOXOS = 12\n INTEGER, PARAMETER :: IK_HETERO_TETROL = 13\n INTEGER, PARAMETER :: IK_HETERO_GLY = 14\n INTEGER, PARAMETER :: IK_HETERO_MGLY = 15\n INTEGER, PARAMETER :: IK_HETERO_PNCOMLI = 16\n INTEGER, PARAMETER :: IK_HETERO_PNCOMLJ = 17\n INTEGER, PARAMETER :: IK_HETERO_BRNO3_WAI = 18\n INTEGER, PARAMETER :: IK_HETERO_BRNO3_WAJ = 19\n INTEGER, PARAMETER :: IK_HETERO_HOBR_CLJ = 20\n INTEGER, PARAMETER :: IK_HETERO_HOBR_BRJ = 21\n INTEGER, PARAMETER :: IK_HETERO_BRNO3_CLJ = 22\n INTEGER, PARAMETER :: IK_HETERO_BRNO3_BRJ = 23\n INTEGER, PARAMETER :: IK_HETERO_BRNO2_CLJ = 24\n INTEGER, PARAMETER :: IK_HETERO_BRNO2_BRJ = 25\n INTEGER, PARAMETER :: IK_HETERO_HBR_BRJ = 26\n INTEGER, PARAMETER :: IK_HETERO_I2O2_AI = 27\n INTEGER, PARAMETER :: IK_HETERO_I2O2_AJ = 28\n INTEGER, PARAMETER :: IK_HETERO_I2O3_AI = 29\n INTEGER, PARAMETER :: IK_HETERO_I2O3_AJ = 30\n INTEGER, PARAMETER :: IK_HETERO_I2O4_AI = 31\n INTEGER, PARAMETER :: IK_HETERO_I2O4_AJ = 32\n INTEGER, PARAMETER :: IK_HETERO_INO3_CLJ = 33\n INTEGER, PARAMETER :: IK_HETERO_INO3_BRJ = 34\n INTEGER, PARAMETER :: IK_HETERO_INO2_CLJ = 35\n INTEGER, PARAMETER :: IK_HETERO_INO2_BRJ = 36\n INTEGER, PARAMETER :: IK_HETERO_HOI_CLJ = 37\n INTEGER, PARAMETER :: IK_HETERO_HOI_BRJ = 38\n END MODULE RXNS_DATA\n" }, { "path": "CCTM/src/MECHS/cb6r5m_ae7_aq/RXNS_FUNC_MODULE.F90", "content": " MODULE RXNS_FUNCTION\n\n\n IMPLICIT NONE\n\n\n\n! Name of Mechanism CB6R5M_AE7_AQ\n\n PUBLIC :: CALC_RCONST, SPECIAL_RATES, MAP_CHEMISTRY_SPECIES\n\n CONTAINS\n\n\n REAL( 8 ) FUNCTION POWER_T02( TEMPOT300,A0,B0 )\n IMPLICIT NONE\n! rate constant for CMAQ Arrhenuis reaction type 2\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: TEMPOT300\n REAL( 8 ), INTENT( IN ) :: A0\n REAL( 8 ), INTENT( IN ) :: B0\n ! Local: None\n POWER_T02 = A0 * TEMPOT300**B0\n RETURN\n END FUNCTION POWER_T02\n REAL( 8 ) FUNCTION ARRHENUIS_T04( INV_TEMP,TEMPOT300,A0,B0,C0 )\n IMPLICIT NONE\n! rate constant for CMAQ Arrhenuis reaction type 4\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: INV_TEMP\n REAL( 8 ), INTENT( IN ) :: TEMPOT300\n REAL( 8 ), INTENT( IN ) :: A0\n REAL( 8 ), INTENT( IN ) :: B0\n REAL( 8 ), INTENT( IN ) :: C0\n ! Local:\n INTRINSIC DEXP\n ARRHENUIS_T04 = A0 * DEXP( B0 * INV_TEMP ) * TEMPOT300**C0\n RETURN\n END FUNCTION ARRHENUIS_T04\n REAL( 8 ) FUNCTION ARRHENUIS_T03( INV_TEMP,A0,B0 )\n! rate constant for CMAQ Arrhenuis reaction type 3\n IMPLICIT NONE\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: INV_TEMP\n REAL( 8 ), INTENT(IN) :: A0\n REAL( 8 ), INTENT(IN) :: B0\n ! Local:\n INTRINSIC DEXP\n ARRHENUIS_T03 = A0 * DEXP( B0 * INV_TEMP )\n RETURN\n END FUNCTION ARRHENUIS_T03 \n REAL( 8 ) FUNCTION FALLOFF_T08(INV_TEMP,CAIR,A0,C0,A2,C2,A3,C3)\n! rate constant for CMAQ fall off reaction type 8\n IMPLICIT NONE\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: INV_TEMP\n REAL( 8 ), INTENT( IN ) :: CAIR\n REAL( 8 ), INTENT( IN ) :: A0\n REAL( 8 ), INTENT( IN ) :: C0\n REAL( 8 ), INTENT( IN ) :: A2\n REAL( 8 ), INTENT( IN ) :: C2\n REAL( 8 ), INTENT( IN ) :: A3\n REAL( 8 ), INTENT( IN ) :: C3\n ! Local:\n REAL( 8 ) K0\n REAL( 8 ) K2\n REAL( 8 ) K3\n INTRINSIC DEXP\n K0 = A0 * DEXP( C0 * INV_TEMP )\n K2 = A2 * DEXP( C2 * INV_TEMP )\n K3 = A3 * DEXP( C3 * INV_TEMP )\n K3 = K3 * CAIR\n FALLOFF_T08 = K0 + K3/( 1.0D0 + K3/K2 )\n RETURN\n END FUNCTION FALLOFF_T08\n REAL( 8 ) FUNCTION FALLOFF_T09(INV_TEMP,CAIR,A1,C1,A2,C2)\n! rate constant for CMAQ fall off reaction type 9\n IMPLICIT NONE\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: INV_TEMP\n REAL( 8 ), INTENT( IN ) :: CAIR\n REAL( 8 ), INTENT( IN ) :: A1\n REAL( 8 ), INTENT( IN ) :: C1\n REAL( 8 ), INTENT( IN ) :: A2\n REAL( 8 ), INTENT( IN ) :: C2\n ! Local:\n REAL( 8 ) K1\n REAL( 8 ) K2\n INTRINSIC DEXP\n K1 = A1 * DEXP( C1 * INV_TEMP )\n K2 = A2 * DEXP( C2 * INV_TEMP )\n FALLOFF_T09 = K1 + K2 * CAIR\n RETURN\n END FUNCTION FALLOFF_T09\n REAL( 8 ) FUNCTION FALLOFF_T10(INV_TEMP,TEMPOT300,CAIR,A0,B0,C0,A1,B1,C1,CE,CF)\n IMPLICIT NONE\n! rate constant for CMAQ fall off reaction type 10\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: INV_TEMP\n REAL( 8 ), INTENT( IN ) :: TEMPOT300\n REAL( 8 ), INTENT( IN ) :: CAIR\n REAL( 8 ), INTENT( IN ) :: A0\n REAL( 8 ), INTENT( IN ) :: B0\n REAL( 8 ), INTENT( IN ) :: C0\n REAL( 8 ), INTENT( IN ) :: A1\n REAL( 8 ), INTENT( IN ) :: B1\n REAL( 8 ), INTENT( IN ) :: C1\n REAL( 8 ), INTENT( IN ) :: CE\n REAL( 8 ), INTENT( IN ) :: CF\n ! Local:\n REAL( 8 ) K0\n REAL( 8 ) K1\n REAL( 8 ) KEND\n K0 = A0 * CAIR * DEXP(B0*INV_TEMP)* TEMPOT300**C0\n K1 = A1 * DEXP(B1*INV_TEMP) * TEMPOT300**C1\n KEND = ( ( 1.0D0 + ( ( 1.0D0 / CE ) * DLOG10( K0 / K1 ) ) ** 2.0D0 ) )\n KEND = 1.0D0 / KEND\n FALLOFF_T10 = ( K0 / ( 1.0D0 + K0/K1 ) ) * CF ** KEND\n RETURN\n END FUNCTION FALLOFF_T10\n REAL( 8 ) FUNCTION FALLOFF_T11(INV_TEMP,TEMPOT300,CAIR,A1,B1,C1,A2, B2, C2, D1, D2)\n! rate constant for CMAQ fall off reaction type 11\n! actually expanded form of type 9\n IMPLICIT NONE\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: INV_TEMP\n REAL( 8 ), INTENT( IN ) :: TEMPOT300\n REAL( 8 ), INTENT( IN ) :: CAIR\n REAL( 8 ), INTENT( IN ) :: A1\n REAL( 8 ), INTENT( IN ) :: B1\n REAL( 8 ), INTENT( IN ) :: C1\n REAL( 8 ), INTENT( IN ) :: A2\n REAL( 8 ), INTENT( IN ) :: B2\n REAL( 8 ), INTENT( IN ) :: C2\n REAL( 8 ), INTENT( IN ) :: D1\n REAL( 8 ), INTENT( IN ) :: D2\n ! Local:\n REAL( 8 ) K1\n REAL( 8 ) K2\n REAL( 8 ) K3\n INTRINSIC DEXP\n K1 = A1 * DEXP( C1 * INV_TEMP ) * TEMPOT300**B1\n K2 = A2 * DEXP( C2 * INV_TEMP ) * TEMPOT300**B2\n K3 = D1 * DEXP( D2 * INV_TEMP )\n FALLOFF_T11 = K1 + K2 * CAIR + K3\n RETURN\n END FUNCTION FALLOFF_T11\n REAL( 8 ) FUNCTION HALOGEN_FALLOFF(PRESS,A1,B1,A2,B2,A3)\n IMPLICIT NONE\n REAL( 8 ), INTENT( IN ) :: PRESS\n REAL( 8 ), INTENT( IN ) :: A1\n REAL( 8 ), INTENT( IN ) :: B1\n REAL( 8 ), INTENT( IN ) :: A2\n REAL( 8 ), INTENT( IN ) :: B2\n REAL( 8 ), INTENT( IN ) :: A3 ! Maximum loss rate (1/sec)\n INTRINSIC DEXP\n HALOGEN_FALLOFF = A1 * DEXP( B1 * PRESS ) + A2 * DEXP( B2 * PRESS )\n HALOGEN_FALLOFF = DMIN1 (A3, HALOGEN_FALLOFF )\n RETURN\n END FUNCTION HALOGEN_FALLOFF\n\n SUBROUTINE SPECIAL_RATES( NUMCELLS, Y, TEMP, DENS, RKI )\n! Purpose: calculate special rate operators and update\n! appropriate rate constants\n\n USE RXNS_DATA\n IMPLICIT NONE\n\n! Arguments:\n INTEGER, INTENT( IN ) :: NUMCELLS ! Number of cells in block \n REAL( 8 ), INTENT( IN ) :: Y( :, : ) ! species concs\n REAL( 8 ), INTENT( IN ) :: TEMP( : ) ! air temperature, K \n REAL( 8 ), INTENT( IN ) :: DENS( : ) ! air density, Kg/m3\n REAL( 8 ), INTENT( INOUT ) :: RKI( :, : ) ! reaction rate constant, ppm/min \n! Local:\n REAL( 8 ), PARAMETER :: DENSITY_TO_NUMBER = 2.07930D+19 ! Kg/m3 to molecules/cm3\n\n INTEGER :: NCELL\n REAL( 8 ) :: INV_TEMP\n REAL( 8 ) :: CAIR\n REAL( 8 ) :: CFACT ! scales operator if not multiplied by RKI, cm^3/(molecule) to 1/(ppm)\n REAL( 8 ) :: CFACT_SQU ! scales operator if not multiplied by RKI, cm^6/(molec^2) to 1/(ppm^2)\n! special rate operators listed below\n\n\n\n DO NCELL = 1, NUMCELLS\n INV_TEMP = 1.0D0 / TEMP( NCELL )\n CAIR = DENSITY_TO_NUMBER * DENS( NCELL )\n CFACT = 1.0D-06 * CAIR\n CFACT_SQU = 1.0D-12 * CAIR * CAIR\n\n\n! define special rate operators\n\n\n! define rate constants in terms of special rate operators \n\n END DO\n\n RETURN\n END SUBROUTINE SPECIAL_RATES\n \n SUBROUTINE CALC_RCONST( BLKTEMP, BLKPRES, BLKH2O, RJBLK, BLKHET, LSUNLIGHT, SEAWATER, RKI, NUMCELLS )\n\n!**********************************************************************\n\n! Function: To compute thermal and photolytic reaction rate\n! coefficients for each reaction.\n\n! Preconditions: Photolysis rates for individual species must have\n! been calculated and stored in RJPHOT. Expects\n! temperature in deg K, pressure in atm., water\n! vapor in ppmV, and J-values in /min.\n! Key Subroutines/Functions Called: POWER_02, ARRHRENUIS_T0*, FALLOFF_T*, HALOGEN_FALLOFF \n!***********************************************************************\n\n\n\n\n USE RXNS_DATA\n\n IMPLICIT NONE \n\n! Arguements: None \n\n REAL( 8 ), INTENT( IN ) :: BLKTEMP( : ) ! temperature, deg K \n REAL( 8 ), INTENT( IN ) :: BLKPRES( : ) ! pressure, Atm\n REAL( 8 ), INTENT( IN ) :: BLKH2O ( : ) ! water mixing ratio, ppm \n REAL( 8 ), INTENT( IN ) :: RJBLK ( :, : ) ! photolysis rates, 1/min \n REAL( 8 ), INTENT( IN ) :: BLKHET ( :, : ) ! heterogeneous rate constants, ???/min\n INTEGER, INTENT( IN ) :: NUMCELLS ! Number of cells in block \n LOGICAL, INTENT( IN ) :: LSUNLIGHT ! Is there sunlight? \n REAL( 8 ), INTENT( IN ) :: SEAWATER( : ) ! fractional area of OPEN+SURF \n REAL( 8 ), INTENT( OUT ) :: RKI ( :, : ) ! reaction rate constant, ppm/min \n!..Parameters: \n\n REAL( 8 ), PARAMETER :: COEF1 = 7.33981D+15 ! Molec/cc to ppm conv factor \n REAL( 8 ), PARAMETER :: CONSTC = 0.6D+0 ! Constant for reaction type 7\n REAL( 8 ), PARAMETER :: TI300 = 1.0D+0/300.0D+0 ! reciprocal of 300 deg K\n REAL( 8 ), PARAMETER :: SFACT = 60.D+0 ! seconds per minute \n!..External Functions: None\n\n!..Local Variables:\n\n INTEGER :: NRT ! Loop index for reaction types \n INTEGER :: IRXN ! Reaction number\n INTEGER :: JNUM ! J-value species # from PHOT)\n INTEGER :: KNUM ! Reaction # for a relative rate coeff.\n INTEGER :: N ! Loop index for reactions\n INTEGER :: NCELL ! Loop index for # of cells in the block\n REAL( 8 ) :: CAIR ! air number density (wet) [molec/cm^3]\n REAL( 8 ) :: CFACT ! Convertor cm^3/(molec*sec) to 1/(ppm*min)\n REAL( 8 ) :: CFACT_SQU ! Convertor cm^6/(molec^2*sec) to 1/(ppm^2*min)\n REAL( 8 ) :: INV_CFACT ! ppm/min to molec/(cm^3*sec)\n REAL( 8 ) :: TEMPOT300 ! temperature divided by 300 K, dimensionaless \n REAL( 8 ) :: INV_TEMP ! reciprocal of air temperature, K-1\n REAL( 8 ) :: INV_CAIR ! reciprocal of air number density (wet), [cm^3/molec]\n REAL( 8 ) :: TEMP ! air temperature, K\n REAL( 8 ) :: PRESS ! pressure [Atm] \n REAL( 8 ) :: INV_RFACT ! ppm/min to molec/(cm^3*min)\n REAL( 8 ) :: RFACT_SQU ! cm^6/(molec^2*min) to 1/(ppm^2*min)\n REAL( 8 ) :: RFACT ! cm^3/(molec*min) to 1/(ppm*min)\n REAL( 8 ) :: H2O ! concentration, [molec/cm^3] \n\n RKI = 0.0D0 \n\n! All rate constants converted from molec/cm3 to ppm\n! and 1/sec to 1/min\n\n IF( LSUNLIGHT )THEN \n DO NCELL = 1, NUMCELLS \n\n! Reaction Label R1 \n RKI( NCELL, 1) = RJBLK( NCELL, IJ_NO2_IUPAC10 )\n! Reaction Label R8 \n RKI( NCELL, 8) = RJBLK( NCELL, IJ_O3_O3P_IUPAC10 )\n! Reaction Label R9 \n RKI( NCELL, 9) = RJBLK( NCELL, IJ_O3_O1D_IUPAC10 )\n! Reaction Label R21 \n RKI( NCELL, 21) = RJBLK( NCELL, IJ_H2O2_IUPAC10 )\n! Reaction Label R27 \n RKI( NCELL, 27) = RJBLK( NCELL, IJ_NO3NO2_06 )\n! Reaction Label R28 \n RKI( NCELL, 28) = RJBLK( NCELL, IJ_NO3NO_06 )\n! Reaction Label R38 \n RKI( NCELL, 38) = RJBLK( NCELL, IJ_N2O5_IUPAC10 )\n! Reaction Label R43 \n RKI( NCELL, 43) = RJBLK( NCELL, IJ_HONO_IUPAC10 )\n! Reaction Label R47 \n RKI( NCELL, 47) = RJBLK( NCELL, IJ_HNO3_IUPAC10 )\n! Reaction Label R50 \n RKI( NCELL, 50) = RJBLK( NCELL, IJ_PNA_IUPAC10 )\n! Reaction Label R56 \n RKI( NCELL, 56) = RJBLK( NCELL, IJ_PAN_IUPAC10 )\n! Reaction Label R64 \n RKI( NCELL, 64) = RJBLK( NCELL, IJ_PAN_IUPAC10 )\n! Reaction Label R88 \n RKI( NCELL, 88) = RJBLK( NCELL, IJ_MEPX_IUPAC10 )\n! Reaction Label R90 \n RKI( NCELL, 90) = RJBLK( NCELL, IJ_MEPX_IUPAC10 )\n! Reaction Label R92 \n RKI( NCELL, 92) = RJBLK( NCELL, IJ_NTR_IUPAC10 )\n! Reaction Label R97 \n RKI( NCELL, 97) = RJBLK( NCELL, IJ_FORM_R_IUPAC13 )\n! Reaction Label R98 \n RKI( NCELL, 98) = RJBLK( NCELL, IJ_FORM_M_IUPAC13 )\n! Reaction Label R108 \n RKI( NCELL, 108) = RJBLK( NCELL, IJ_ALD2_R_IUPAC13 )\n! Reaction Label R112 \n RKI( NCELL, 112) = RJBLK( NCELL, IJ_ALDX_R_IUPAC13 )\n! Reaction Label R114 \n RKI( NCELL, 114) = RJBLK( NCELL, IJ_GLYD_IUPAC13 )\n! Reaction Label R117 \n RKI( NCELL, 117) = RJBLK( NCELL, IJ_GLY_R_IUPAC13 )\n! Reaction Label R119 \n RKI( NCELL, 119) = RJBLK( NCELL, IJ_MGLY_IUPAC10 )\n! Reaction Label R128 \n RKI( NCELL, 128) = RJBLK( NCELL, IJ_KET_IUPAC10 )\n! Reaction Label R129 \n RKI( NCELL, 129) = RJBLK( NCELL, IJ_ACET_IUPAC10 )\n! Reaction Label R161 \n RKI( NCELL, 161) = RJBLK( NCELL, IJ_ISPD )\n! Reaction Label R163 \n RKI( NCELL, 163) = RJBLK( NCELL, IJ_HPALD )\n! Reaction Label R196 \n RKI( NCELL, 201) = RJBLK( NCELL, IJ_NTR_IUPAC10 )\n! Reaction Label R197 \n RKI( NCELL, 202) = 5.0000D-02 * RJBLK( NCELL, IJ_NO2_IUPAC10 )\n! Reaction Label R201 \n RKI( NCELL, 206) = 2.8000D-02 * RJBLK( NCELL, IJ_NO2_IUPAC10 )\n! Reaction Label CL1 \n RKI( NCELL, 226) = RJBLK( NCELL, IJ_CL2_IUPAC04 )\n! Reaction Label CL2 \n RKI( NCELL, 227) = RJBLK( NCELL, IJ_HOCL_IUPAC04 )\n! Reaction Label CL9 \n RKI( NCELL, 234) = RJBLK( NCELL, IJ_FMCL_IUPAC04 )\n! Reaction Label CL27 \n RKI( NCELL, 252) = RJBLK( NCELL, IJ_CLNO2_IUPAC13 )\n! Reaction Label CL30 \n RKI( NCELL, 254) = RJBLK( NCELL, IJ_CLONO2_1 )\n! Reaction Label CL31 \n RKI( NCELL, 255) = RJBLK( NCELL, IJ_CLONO2_2 )\n! Reaction Label BP71mtp \n RKI( NCELL, 290) = RJBLK( NCELL, IJ_IC3ONO2 )\n! Reaction Label T04 \n RKI( NCELL, 316) = RJBLK( NCELL, IJ_FORM_R_IUPAC13 )\n! Reaction Label T05 \n RKI( NCELL, 317) = RJBLK( NCELL, IJ_FORM_M_IUPAC13 )\n! Reaction Label T09 \n RKI( NCELL, 322) = RJBLK( NCELL, IJ_ALD2_R_IUPAC13 )\n! Reaction Label T16 \n RKI( NCELL, 331) = RJBLK( NCELL, IJ_ACRO_09 )\n! Reaction Label T20 \n RKI( NCELL, 336) = RJBLK( NCELL, IJ_ACRO_09 )\n! Reaction Label BR28 \n RKI( NCELL, 371) = RJBLK( NCELL, IJ_BR2_IUPAC10 )\n! Reaction Label BR29 \n RKI( NCELL, 372) = RJBLK( NCELL, IJ_HOBR_IUPAC10 )\n! Reaction Label BR30 \n RKI( NCELL, 373) = RJBLK( NCELL, IJ_BRO_IUPAC10 )\n! Reaction Label BR31 \n RKI( NCELL, 374) = RJBLK( NCELL, IJ_BRNO2_IUPAC10 )\n! Reaction Label BR32 \n RKI( NCELL, 375) = RJBLK( NCELL, IJ_BRONO2_M_IUPAC10 )\n! Reaction Label BR33 \n RKI( NCELL, 376) = RJBLK( NCELL, IJ_BRONO2_R_IUPAC10 )\n! Reaction Label BR34 \n RKI( NCELL, 377) = RJBLK( NCELL, IJ_BRCL_IUPAC10 )\n! Reaction Label BR35 \n RKI( NCELL, 378) = RJBLK( NCELL, IJ_COHBR_JPL2010 )\n! Reaction Label BR36 \n RKI( NCELL, 379) = RJBLK( NCELL, IJ_MB3_IUPAC10 )\n! Reaction Label BR37 \n RKI( NCELL, 380) = RJBLK( NCELL, IJ_MB2C_BLIDE98 )\n! Reaction Label BR38 \n RKI( NCELL, 381) = RJBLK( NCELL, IJ_MBC2_BLIDE98 )\n! Reaction Label IO29 \n RKI( NCELL, 419) = RJBLK( NCELL, IJ_I2_IUPAC10 )\n! Reaction Label IO30 \n RKI( NCELL, 420) = RJBLK( NCELL, IJ_HOI_IUPAC10 )\n! Reaction Label IO31 \n RKI( NCELL, 421) = RJBLK( NCELL, IJ_IO_IUPAC10 )\n! Reaction Label IO32 \n RKI( NCELL, 422) = RJBLK( NCELL, IJ_OIO_06 )\n! Reaction Label IO33 \n RKI( NCELL, 423) = RJBLK( NCELL, IJ_INO_06 )\n! Reaction Label IO34 \n RKI( NCELL, 424) = RJBLK( NCELL, IJ_INO2_06 )\n! Reaction Label IO35 \n RKI( NCELL, 425) = RJBLK( NCELL, IJ_IONO2_06 )\n! Reaction Label IO36 \n RKI( NCELL, 426) = RJBLK( NCELL, IJ_IONO2_06 )\n! Reaction Label IO37 \n RKI( NCELL, 427) = RJBLK( NCELL, IJ_IONO2_06 )\n! Reaction Label IO38 \n RKI( NCELL, 428) = RJBLK( NCELL, IJ_IONO2_06 )\n! Reaction Label IO39 \n RKI( NCELL, 429) = RJBLK( NCELL, IJ_ICL_IUPAC10 )\n! Reaction Label IO40 \n RKI( NCELL, 430) = RJBLK( NCELL, IJ_IBR_IUPAC10 )\n! Reaction Label IO41 \n RKI( NCELL, 431) = RJBLK( NCELL, IJ_CH3I_IUPAC10 )\n! Reaction Label IO42 \n RKI( NCELL, 432) = RJBLK( NCELL, IJ_MI2_IUPAC10 )\n! Reaction Label IO43 \n RKI( NCELL, 433) = RJBLK( NCELL, IJ_MIB_IUPAC10 )\n! Reaction Label IO44 \n RKI( NCELL, 434) = RJBLK( NCELL, IJ_MIC_IUPAC10 )\n END DO \n END IF \n\n DO NCELL = 1, NUMCELLS \n! Set-up conversion factors \n INV_TEMP = 1.0D+00 / BLKTEMP( NCELL ) \n CAIR = 1.0D+06 * COEF1 * BLKPRES( NCELL ) * INV_TEMP \n CFACT = 6.0D-05 * CAIR\n CFACT_SQU = 6.0D-11 * CAIR * CAIR \n INV_CAIR = 1.0D0 / CAIR \n INV_CFACT = 6.0D+07 * INV_CAIR \n TEMP = BLKTEMP( NCELL ) \n TEMPOT300 = BLKTEMP( NCELL ) * TI300 \n RFACT = 1.0D+06 * INV_CAIR \n RFACT_SQU = 1.0D+12 * INV_CAIR * INV_CAIR \n\n! Reaction Label R2 \n RKI( NCELL, 2) = CFACT_SQU * POWER_T02( TEMPOT300, 6.0000D-34, -2.6000D+00 )\n! Reaction Label R3 \n RKI( NCELL, 3) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.0700D-12, -1.4000D+03 )\n! Reaction Label R4 \n RKI( NCELL, 4) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 1.0000D-31, 0.0000D+00, -1.6000D+00, & \n & 5.0000D-11, 0.0000D+00, 3.0000D-01, & \n & 8.4000D-01, 8.5000D-01 )\n! Reaction Label R5 \n RKI( NCELL, 5) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.1000D-12, 1.9800D+02 )\n! Reaction Label R6 \n RKI( NCELL, 6) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 1.3000D-31, 0.0000D+00, -1.5000D+00, & \n & 2.3000D-11, 0.0000D+00, 2.4000D-01, & \n & 1.0300D+00, 6.0000D-01 )\n! Reaction Label R7 \n RKI( NCELL, 7) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.0000D-12, -2.0600D+03 )\n! Reaction Label R10 \n RKI( NCELL, 10) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.2300D-11, 1.1500D+02 )\n! Reaction Label R11 \n RKI( NCELL, 11) = 2.1400D-10 * CFACT \n! Reaction Label R12 \n RKI( NCELL, 12) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.7000D-12, -9.4000D+02 )\n! Reaction Label R13 \n RKI( NCELL, 13) = CFACT * ARRHENUIS_T04( INV_TEMP, TEMPOT300, & \n & 2.0300D-16, 6.9300D+02, 4.5700D+00 )\n! Reaction Label R14 \n RKI( NCELL, 14) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.4000D-11, 1.1000D+02 )\n! Reaction Label R15 \n RKI( NCELL, 15) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.0000D-11, 2.0000D+02 )\n! Reaction Label R16 \n RKI( NCELL, 16) = CFACT * ARRHENUIS_T04( INV_TEMP, TEMPOT300, & \n & 6.2000D-14, 9.4500D+02, 2.6000D+00 )\n! Reaction Label R17 \n RKI( NCELL, 17) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 9.0000D-31, 0.0000D+00, -3.2000D+00, & \n & 3.9000D-11, 0.0000D+00, -4.7000D-01, & \n & 1.2300D+00, 4.2000D-01 )\n! Reaction Label R18 \n RKI( NCELL, 18) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.8000D-11, 2.5000D+02 )\n! Reaction Label R19 \n RKI( NCELL, 19) = CFACT * FALLOFF_T09( INV_TEMP, CAIR, & \n & 2.2000D-13, 6.0000D+02, 1.9000D-33, & \n & 9.8000D+02 )\n! Reaction Label R20 \n RKI( NCELL, 20) = CFACT_SQU * FALLOFF_T09( INV_TEMP, CAIR, & \n & 3.0800D-34, 2.8000D+03, 2.6600D-54, & \n & 3.1800D+03 )\n! Reaction Label R22 \n RKI( NCELL, 22) = 1.8000D-12 * CFACT \n! Reaction Label R23 \n RKI( NCELL, 23) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.4000D-12, -2.0000D+03 )\n! Reaction Label R24 \n RKI( NCELL, 24) = CFACT_SQU * ARRHENUIS_T03( INV_TEMP, 4.2500D-39, 6.6400D+02 )\n! Reaction Label R25 \n RKI( NCELL, 25) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.4500D-12, 2.7000D+02 )\n! Reaction Label R26 \n RKI( NCELL, 26) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.4000D-13, -2.4700D+03 )\n! Reaction Label R29 \n RKI( NCELL, 29) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.8000D-11, 1.1000D+02 )\n! Reaction Label R30 \n RKI( NCELL, 30) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.5000D-14, -1.2600D+03 )\n! Reaction Label R31 \n RKI( NCELL, 31) = 1.7000D-11 * CFACT \n! Reaction Label R32 \n RKI( NCELL, 32) = 2.0000D-11 * CFACT \n! Reaction Label R33 \n RKI( NCELL, 33) = 4.0000D-12 * CFACT \n! Reaction Label R34 \n RKI( NCELL, 34) = 1.0000D-17 * CFACT \n! Reaction Label R35 \n RKI( NCELL, 35) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.5000D-13, -2.4500D+03 )\n! Reaction Label R36 \n RKI( NCELL, 36) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 3.6000D-30, 0.0000D+00, -4.1000D+00, & \n & 1.9000D-12, 0.0000D+00, 2.0000D-01, & \n & 1.3300D+00, 3.5000D-01 )\n! Reaction Label R37 \n RKI( NCELL, 37) = SFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 1.3000D-03, -1.1000D+04, -3.5000D+00, & \n & 9.7000D+14, -1.1080D+04, 1.0000D-01, & \n & 1.3300D+00, 3.5000D-01 )\n! Reaction Label R39 \n RKI( NCELL, 39) = 1.0000D-22 * CFACT \n! Reaction Label R40 \n RKI( NCELL, 40) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 7.4000D-31, 0.0000D+00, -2.4000D+00, & \n & 3.3000D-11, 0.0000D+00, -3.0000D-01, & \n & 8.7000D-01, 8.1000D-01 )\n! Reaction Label R41 \n RKI( NCELL, 41) = 5.0000D-40 * CFACT_SQU \n! Reaction Label R42 \n RKI( NCELL, 42) = 1.0000D-20 * CFACT \n! Reaction Label R44 \n RKI( NCELL, 44) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.5000D-12, 2.6000D+02 )\n! Reaction Label R45 \n RKI( NCELL, 45) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 1.8000D-30, 0.0000D+00, -3.0000D+00, & \n & 2.8000D-11, 0.0000D+00, 0.0000D+00, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label R46 \n RKI( NCELL, 46) = CFACT * FALLOFF_T08( INV_TEMP, CAIR, & \n & 2.4000D-14, 4.6000D+02, 2.7000D-17, & \n & 2.1990D+03, 6.5000D-34, 1.3350D+03 )\n! Reaction Label R48 \n RKI( NCELL, 48) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 1.4000D-31, 0.0000D+00, -3.1000D+00, & \n & 4.0000D-12, 0.0000D+00, 0.0000D+00, & \n & 1.2600D+00, 4.0000D-01 )\n! Reaction Label R49 \n RKI( NCELL, 49) = SFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 4.1000D-05, -1.0650D+04, 0.0000D+00, & \n & 6.0000D+15, -1.1170D+04, 0.0000D+00, & \n & 1.2600D+00, 4.0000D-01 )\n! Reaction Label R51 \n RKI( NCELL, 51) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.2000D-13, 6.9000D+02 )\n! Reaction Label R52 \n RKI( NCELL, 52) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 2.8000D-31, 0.0000D+00, -2.6000D+00, & \n & 2.0000D-12, 0.0000D+00, 0.0000D+00, & \n & 1.1000D+00, 5.3000D-01 )\n! Reaction Label R53 \n RKI( NCELL, 53) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.5000D-12, 2.9000D+02 )\n! Reaction Label R54 \n RKI( NCELL, 54) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 3.6100D-28, 0.0000D+00, -6.8700D+00, & \n & 1.2400D-11, 0.0000D+00, -1.1050D+00, & \n & 1.4100D+00, 3.0000D-01 )\n! Reaction Label R55 \n RKI( NCELL, 55) = SFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 1.1000D-05, -1.0100D+04, 0.0000D+00, & \n & 1.9000D+17, -1.4100D+04, 0.0000D+00, & \n & 1.4100D+00, 3.0000D-01 )\n! Reaction Label R57 \n RKI( NCELL, 57) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.1400D-12, 5.8000D+02 )\n! Reaction Label R58 \n RKI( NCELL, 58) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.4000D-13, 1.0700D+03 )\n! Reaction Label R59 \n RKI( NCELL, 59) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9000D-12, 5.0000D+02 )\n! Reaction Label R60 \n RKI( NCELL, 60) = RKI( NCELL, 59 ) \n! Reaction Label R61 \n RKI( NCELL, 61) = CFACT * ARRHENUIS_T03( INV_TEMP, 6.7000D-12, 3.4000D+02 )\n! Reaction Label R62 \n RKI( NCELL, 62) = 8.4000D-01 * RKI( NCELL, 54 ) \n! Reaction Label R63 \n RKI( NCELL, 63) = 8.4000D-01 * RKI( NCELL, 55 ) \n! Reaction Label R65 \n RKI( NCELL, 65) = RKI( NCELL, 57 ) \n! Reaction Label R66 \n RKI( NCELL, 66) = RKI( NCELL, 58 ) \n! Reaction Label R67 \n RKI( NCELL, 67) = RKI( NCELL, 59 ) \n! Reaction Label R68 \n RKI( NCELL, 68) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.4000D-12, 3.6000D+02 )\n! Reaction Label R69 \n RKI( NCELL, 69) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.8000D-13, 8.0000D+02 )\n! Reaction Label R70 \n RKI( NCELL, 70) = CFACT * ARRHENUIS_T03( INV_TEMP, 6.5000D-14, 5.0000D+02 )\n! Reaction Label R71 \n RKI( NCELL, 71) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.3000D-12, 3.6000D+02 )\n! Reaction Label R72 \n RKI( NCELL, 72) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.8000D-13, 7.8000D+02 )\n! Reaction Label R73 \n RKI( NCELL, 73) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.0000D-12, 5.0000D+02 )\n! Reaction Label R74 \n RKI( NCELL, 74) = RKI( NCELL, 70 ) \n! Reaction Label R75 \n RKI( NCELL, 75) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label R76 \n RKI( NCELL, 76) = CFACT * ARRHENUIS_T03( INV_TEMP, 6.8000D-13, 8.0000D+02 )\n! Reaction Label R77 \n RKI( NCELL, 77) = RKI( NCELL, 58 ) \n! Reaction Label R78 \n RKI( NCELL, 78) = RKI( NCELL, 70 ) \n! Reaction Label R79 \n RKI( NCELL, 79) = RKI( NCELL, 75 ) \n! Reaction Label R80 \n RKI( NCELL, 80) = RKI( NCELL, 76 ) \n! Reaction Label R81 \n RKI( NCELL, 81) = RKI( NCELL, 58 ) \n! Reaction Label R82 \n RKI( NCELL, 82) = RKI( NCELL, 70 ) \n! Reaction Label R83 \n RKI( NCELL, 83) = RKI( NCELL, 75 ) \n! Reaction Label R84 \n RKI( NCELL, 84) = RKI( NCELL, 76 ) \n! Reaction Label R85 \n RKI( NCELL, 85) = RKI( NCELL, 58 ) \n! Reaction Label R86 \n RKI( NCELL, 86) = RKI( NCELL, 70 ) \n! Reaction Label R87 \n RKI( NCELL, 87) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.3000D-12, 1.9000D+02 )\n! Reaction Label R89 \n RKI( NCELL, 89) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.3000D-12, 1.9000D+02 )\n! Reaction Label R91 \n RKI( NCELL, 91) = 2.0000D-12 * CFACT \n! Reaction Label R93 \n RKI( NCELL, 93) = 4.5000D-13 * CFACT \n! Reaction Label R94 \n RKI( NCELL, 94) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.0000D-14, 8.5000D+02 )\n! Reaction Label R95 \n RKI( NCELL, 95) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.3000D-12, 1.9000D+02 )\n! Reaction Label R96 \n RKI( NCELL, 96) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.4000D-12, 1.3500D+02 )\n! Reaction Label R99 \n RKI( NCELL, 99) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.4000D-11, -1.6000D+03 )\n! Reaction Label R100 \n RKI( NCELL, 100) = 5.5000D-16 * CFACT \n! Reaction Label R101 \n RKI( NCELL, 101) = CFACT * ARRHENUIS_T03( INV_TEMP, 9.7000D-15, 6.2500D+02 )\n! Reaction Label R102 \n RKI( NCELL, 102) = SFACT * ARRHENUIS_T03( INV_TEMP, 2.4000D+12, -7.0000D+03 )\n! Reaction Label R103 \n RKI( NCELL, 103) = 5.6000D-12 * CFACT \n! Reaction Label R104 \n RKI( NCELL, 104) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.6000D-15, 2.3000D+03 )\n! Reaction Label R105 \n RKI( NCELL, 105) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.8000D-11, -1.1000D+03 )\n! Reaction Label R106 \n RKI( NCELL, 106) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.7000D-12, 3.4500D+02 )\n! Reaction Label R107 \n RKI( NCELL, 107) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.4000D-12, -1.8600D+03 )\n! Reaction Label R109 \n RKI( NCELL, 109) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.3000D-11, -8.7000D+02 )\n! Reaction Label R110 \n RKI( NCELL, 110) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.9000D-12, 4.0500D+02 )\n! Reaction Label R111 \n RKI( NCELL, 111) = 6.3000D-15 * CFACT \n! Reaction Label R113 \n RKI( NCELL, 113) = 8.0000D-12 * CFACT \n! Reaction Label R115 \n RKI( NCELL, 115) = RKI( NCELL, 107 ) \n! Reaction Label R116 \n RKI( NCELL, 116) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.1000D-12, 3.4000D+02 )\n! Reaction Label R118 \n RKI( NCELL, 118) = 4.0000D-16 * CFACT \n! Reaction Label R120 \n RKI( NCELL, 120) = 5.0000D-16 * CFACT \n! Reaction Label R121 \n RKI( NCELL, 121) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.9000D-12, 5.7500D+02 )\n! Reaction Label R122 \n RKI( NCELL, 122) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.7000D-12, -2.1000D+03 )\n! Reaction Label R123 \n RKI( NCELL, 123) = CFACT * FALLOFF_T09( INV_TEMP, CAIR, & \n & 1.4400D-13, 0.0000D+00, 3.4300D-33, & \n & 0.0000D+00 )\n! Reaction Label R124 \n RKI( NCELL, 124) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.8500D-12, -1.6900D+03 )\n! Reaction Label R125 \n RKI( NCELL, 125) = CFACT * ARRHENUIS_T03( INV_TEMP, 6.9000D-12, -1.0000D+03 )\n! Reaction Label R126 \n RKI( NCELL, 126) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.8500D-12, -3.4500D+02 )\n! Reaction Label R127 \n RKI( NCELL, 127) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.0000D-12, 2.0000D+01 )\n! Reaction Label R130 \n RKI( NCELL, 130) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.4100D-12, -6.2060D+02 )\n! Reaction Label R131 \n RKI( NCELL, 131) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.6000D-12, -5.8500D+02 )\n! Reaction Label R132 \n RKI( NCELL, 132) = 8.1000D-13 * CFACT \n! Reaction Label R133 \n RKI( NCELL, 133) = SFACT * ARRHENUIS_T03( INV_TEMP, 5.7000D+12, -5.7800D+03 )\n! Reaction Label R134 \n RKI( NCELL, 134) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.5000D-14, -2.0000D+02 )\n! Reaction Label R135 \n RKI( NCELL, 135) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.6000D-12, 4.0000D+02 )\n! Reaction Label R136 \n RKI( NCELL, 136) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 5.0000D-30, 0.0000D+00, -1.5000D+00, & \n & 1.0000D-12, 0.0000D+00, 0.0000D+00, & \n & 1.3000D+00, 3.7000D-01 )\n! Reaction Label R137 \n RKI( NCELL, 137) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.0400D-11, -7.9200D+02 )\n! Reaction Label R138 \n RKI( NCELL, 138) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 8.6000D-29, 0.0000D+00, -3.1000D+00, & \n & 9.0000D-12, 0.0000D+00, -8.5000D-01, & \n & 1.1500D+00, 4.8000D-01 )\n! Reaction Label R139 \n RKI( NCELL, 139) = CFACT * ARRHENUIS_T03( INV_TEMP, 6.8200D-15, -2.5000D+03 )\n! Reaction Label R140 \n RKI( NCELL, 140) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.3000D-12, -2.8800D+03 )\n! Reaction Label R141 \n RKI( NCELL, 141) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.0000D-11, -2.8000D+02 )\n! Reaction Label R142 \n RKI( NCELL, 142) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 8.0000D-27, 0.0000D+00, -3.5000D+00, & \n & 3.0000D-11, 0.0000D+00, -1.0000D+00, & \n & 1.1300D+00, 5.0000D-01 )\n! Reaction Label R143 \n RKI( NCELL, 143) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.5000D-15, -1.8800D+03 )\n! Reaction Label R144 \n RKI( NCELL, 144) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.6000D-13, -1.1550D+03 )\n! Reaction Label R145 \n RKI( NCELL, 145) = 2.3000D-11 * CFACT \n! Reaction Label R146 \n RKI( NCELL, 146) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.0500D-11, 5.1900D+02 )\n! Reaction Label R147 \n RKI( NCELL, 147) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.7000D-15, -1.0130D+03 )\n! Reaction Label R148 \n RKI( NCELL, 148) = 3.7000D-13 * CFACT \n! Reaction Label R149 \n RKI( NCELL, 149) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-11, 3.9000D+02 )\n! Reaction Label R150 \n RKI( NCELL, 150) = 3.0000D-11 * CFACT \n! Reaction Label R151 \n RKI( NCELL, 151) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.3900D-12, 3.6500D+02 )\n! Reaction Label R152 \n RKI( NCELL, 152) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4300D-13, 7.0000D+02 )\n! Reaction Label R153 \n RKI( NCELL, 153) = RKI( NCELL, 58 ) \n! Reaction Label R154 \n RKI( NCELL, 154) = RKI( NCELL, 70 ) \n! Reaction Label R155 \n RKI( NCELL, 155) = SFACT * ARRHENUIS_T03( INV_TEMP, 3.3000D+09, -8.3000D+03 )\n! Reaction Label R156 \n RKI( NCELL, 156) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.0300D-14, -1.9950D+03 )\n! Reaction Label R157 \n RKI( NCELL, 157) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.0300D-12, -4.4800D+02 )\n! Reaction Label R158 \n RKI( NCELL, 158) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.5800D-12, 5.1100D+02 )\n! Reaction Label R159 \n RKI( NCELL, 159) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.8800D-15, -1.7700D+03 )\n! Reaction Label R160 \n RKI( NCELL, 160) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.1000D-12, -1.8600D+03 )\n! Reaction Label R162 \n RKI( NCELL, 162) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.2300D-11, 3.7200D+02 )\n! Reaction Label R164 \n RKI( NCELL, 164) = CFACT * ARRHENUIS_T03( INV_TEMP, 6.0000D-12, -1.8600D+03 )\n! Reaction Label R165 \n RKI( NCELL, 165) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.7800D-11, -4.0000D+02 )\n! Reaction Label R166 \n RKI( NCELL, 166) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4300D-13, 7.0000D+02 )\n! Reaction Label R167 \n RKI( NCELL, 167) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.3900D-12, 3.6500D+02 )\n! Reaction Label R168 \n RKI( NCELL, 168) = RKI( NCELL, 58 ) \n! Reaction Label R169 \n RKI( NCELL, 169) = RKI( NCELL, 70 ) \n! Reaction Label R170 \n RKI( NCELL, 170) = 3.1000D-11 * CFACT \n! Reaction Label R171 \n RKI( NCELL, 171) = 3.6000D-11 * CFACT \n! Reaction Label R172 \n RKI( NCELL, 172) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.5000D-11, 4.4900D+02 )\n! Reaction Label R173 \n RKI( NCELL, 173) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.2000D-15, -8.2100D+02 )\n! Reaction Label R174 \n RKI( NCELL, 174) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.7000D-12, 1.7500D+02 )\n! Reaction Label R171a \n RKI( NCELL, 175) = 3.6000D-11 * CFACT \n! Reaction Label R172a \n RKI( NCELL, 176) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.5000D-11, 4.4900D+02 )\n! Reaction Label R173a \n RKI( NCELL, 177) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.2000D-15, -8.2100D+02 )\n! Reaction Label R174a \n RKI( NCELL, 178) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.7000D-12, 1.7500D+02 )\n! Reaction Label R175 \n RKI( NCELL, 179) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.3000D-12, -1.9000D+02 )\n! Reaction Label R176 \n RKI( NCELL, 180) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label R177 \n RKI( NCELL, 181) = RKI( NCELL, 58 ) \n! Reaction Label R178 \n RKI( NCELL, 182) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.9000D-13, 1.3000D+03 )\n! Reaction Label R179 \n RKI( NCELL, 183) = RKI( NCELL, 70 ) \n! Reaction Label R180 \n RKI( NCELL, 184) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.8000D-12, 3.4000D+02 )\n! Reaction Label R181 \n RKI( NCELL, 185) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label R182 \n RKI( NCELL, 186) = RKI( NCELL, 58 ) \n! Reaction Label R183 \n RKI( NCELL, 187) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.9000D-13, 1.3000D+03 )\n! Reaction Label R184 \n RKI( NCELL, 188) = RKI( NCELL, 70 ) \n! Reaction Label R185 \n RKI( NCELL, 189) = 1.8500D-11 * CFACT \n! Reaction Label R185a \n RKI( NCELL, 190) = 1.8500D-11 * CFACT \n! Reaction Label R186 \n RKI( NCELL, 191) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label R187 \n RKI( NCELL, 192) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.9000D-13, 1.3000D+03 )\n! Reaction Label R188 \n RKI( NCELL, 193) = RKI( NCELL, 58 ) \n! Reaction Label R189 \n RKI( NCELL, 194) = RKI( NCELL, 70 ) \n! Reaction Label R190 \n RKI( NCELL, 195) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.7000D-12, 9.5000D+02 )\n! Reaction Label R191 \n RKI( NCELL, 196) = 1.4000D-11 * CFACT \n! Reaction Label R192 \n RKI( NCELL, 197) = 2.1000D-12 * CFACT \n! Reaction Label R193 \n RKI( NCELL, 198) = 5.5000D-12 * CFACT \n! Reaction Label R194 \n RKI( NCELL, 199) = 1.5300D-12 * CFACT \n! Reaction Label R195 \n RKI( NCELL, 200) = 3.8000D-12 * CFACT \n! Reaction Label R198 \n RKI( NCELL, 203) = 9.0000D-11 * CFACT \n! Reaction Label R199 \n RKI( NCELL, 204) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.0800D-16, -5.0000D+02 )\n! Reaction Label R200 \n RKI( NCELL, 205) = 3.0000D-12 * CFACT \n! Reaction Label R202 \n RKI( NCELL, 207) = 4.4000D-11 * CFACT \n! Reaction Label R203 \n RKI( NCELL, 208) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.4000D-17, -5.0000D+02 )\n! Reaction Label R204 \n RKI( NCELL, 209) = 3.8000D-12 * CFACT \n! Reaction Label R205 \n RKI( NCELL, 210) = 5.0000D-11 * CFACT \n! Reaction Label R206 \n RKI( NCELL, 211) = 1.7000D-10 * CFACT \n! Reaction Label R207 \n RKI( NCELL, 212) = RKI( NCELL, 61 ) \n! Reaction Label R208 \n RKI( NCELL, 213) = RKI( NCELL, 62 ) \n! Reaction Label R209 \n RKI( NCELL, 214) = RKI( NCELL, 63 ) \n! Reaction Label R210 \n RKI( NCELL, 215) = RKI( NCELL, 57 ) \n! Reaction Label R211 \n RKI( NCELL, 216) = RKI( NCELL, 59 ) \n! Reaction Label R212 \n RKI( NCELL, 217) = RKI( NCELL, 58 ) \n! Reaction Label R213 \n RKI( NCELL, 218) = 3.6000D-11 * CFACT \n! Reaction Label R214 \n RKI( NCELL, 219) = 3.0000D-12 * CFACT \n! Reaction Label R216 \n RKI( NCELL, 220) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.8500D-12, -1.6900D+03 )\n! Reaction Label R217 \n RKI( NCELL, 221) = SFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 2.3700D-21, 0.0000D+00, 0.0000D+00, & \n & 4.0700D-01, 0.0000D+00, -8.0000D+00, & \n & 1.0000D+00, 4.1000D-01 )\n! Reaction Label R218 \n RKI( NCELL, 222) = 1.0000D+00 * SFACT \n! Reaction Label R219 \n RKI( NCELL, 223) = SFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 4.8100D-20, 0.0000D+00, 0.0000D+00, & \n & 4.0700D-01, 0.0000D+00, -8.0000D+00, & \n & 1.0000D+00, 4.1000D-01 )\n! Reaction Label R220 \n RKI( NCELL, 224) = 1.0000D+00 * SFACT \n! Reaction Label R221 \n RKI( NCELL, 225) = 1.1000D-30 * CFACT_SQU \n! Reaction Label CL3 \n RKI( NCELL, 228) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.3000D-11, -2.0000D+02 )\n! Reaction Label CL4 \n RKI( NCELL, 229) = 1.6300D-14 * CFACT \n! Reaction Label CL5 \n RKI( NCELL, 230) = CFACT * ARRHENUIS_T03( INV_TEMP, 6.4000D-12, 2.9000D+02 )\n! Reaction Label CL6 \n RKI( NCELL, 231) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.2000D-12, 3.4000D+02 )\n! Reaction Label CL7 \n RKI( NCELL, 232) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.2000D-12, -1.1000D+02 )\n! Reaction Label CL8 \n RKI( NCELL, 233) = 5.0000D-13 * CFACT \n! Reaction Label CL10 \n RKI( NCELL, 235) = CFACT * ARRHENUIS_T03( INV_TEMP, 6.6000D-12, -1.2400D+03 )\n! Reaction Label CL11 \n RKI( NCELL, 236) = 5.0000D-11 * CFACT \n! Reaction Label CL12 \n RKI( NCELL, 237) = 1.4000D-10 * CFACT \n! Reaction Label CL13 \n RKI( NCELL, 238) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.3000D-11, -1.0000D+02 )\n! Reaction Label CL14 \n RKI( NCELL, 239) = 1.0700D-10 * CFACT \n! Reaction Label CL15 \n RKI( NCELL, 240) = 2.5000D-10 * CFACT \n! Reaction Label CL16 \n RKI( NCELL, 241) = 3.5000D-10 * CFACT \n! Reaction Label CL17 \n RKI( NCELL, 242) = 4.3000D-10 * CFACT \n! Reaction Label CL18 \n RKI( NCELL, 243) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.2000D-11, -3.4000D+01 )\n! Reaction Label CL19 \n RKI( NCELL, 244) = 7.9000D-11 * CFACT \n! Reaction Label CL20 \n RKI( NCELL, 245) = 1.3000D-10 * CFACT \n! Reaction Label CL21 \n RKI( NCELL, 246) = 5.5000D-11 * CFACT \n! Reaction Label CL22 \n RKI( NCELL, 247) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.2000D-11, 4.5000D+01 )\n! Reaction Label CL23 \n RKI( NCELL, 248) = CFACT * ARRHENUIS_T04( INV_TEMP, TEMPOT300, & \n & 6.5800D-13, 5.8000D+01, 1.1600D+00 )\n! Reaction Label CL24 \n RKI( NCELL, 249) = 6.1000D-11 * CFACT \n! Reaction Label CL25 \n RKI( NCELL, 250) = 1.2000D-10 * CFACT \n! Reaction Label CL26 \n RKI( NCELL, 251) = 1.2000D-10 * CFACT \n! Reaction Label CL28 \n RKI( NCELL, 253) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 1.8000D-31, 0.0000D+00, -3.4000D+00, & \n & 1.5000D-11, 0.0000D+00, -1.9000D+00, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label HET_CLNO3_WAI \n RKI( NCELL, 256) = BLKHET( NCELL, IK_HETERO_CLNO3_WAI )\n! Reaction Label HET_CLNO3_WAJ \n RKI( NCELL, 257) = BLKHET( NCELL, IK_HETERO_CLNO3_WAJ )\n! Reaction Label SA01 \n RKI( NCELL, 258) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label SA02 \n RKI( NCELL, 259) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.9000D-13, 1.3000D+03 )\n! Reaction Label SA03 \n RKI( NCELL, 260) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label SA04 \n RKI( NCELL, 261) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.9000D-13, 1.3000D+03 )\n! Reaction Label SA06 \n RKI( NCELL, 262) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label SA07 \n RKI( NCELL, 263) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.9000D-13, 1.3000D+03 )\n! Reaction Label SA08 \n RKI( NCELL, 264) = 1.1600D-14 * CFACT \n! Reaction Label SA09 \n RKI( NCELL, 265) = 1.9700D-10 * CFACT \n! Reaction Label SA10 \n RKI( NCELL, 266) = 1.9000D-11 * CFACT \n! Reaction Label SA11 \n RKI( NCELL, 267) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label SA12 \n RKI( NCELL, 268) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.9000D-13, 1.3000D+03 )\n! Reaction Label SA13 \n RKI( NCELL, 269) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.7400D+02 )\n! Reaction Label HET_NTR2 \n RKI( NCELL, 270) = 1.4000D+00 * BLKHET( NCELL, IK_HETERO_NTR2 )\n! Reaction Label HET_N2O5IJ \n RKI( NCELL, 271) = BLKHET( NCELL, IK_HETERO_N2O5IJ )\n! Reaction Label HET_N2O5K \n RKI( NCELL, 272) = BLKHET( NCELL, IK_HETERO_N2O5K )\n! Reaction Label HET_H2NO3PIJA \n RKI( NCELL, 273) = BLKHET( NCELL, IK_HETERO_H2NO3PAIJ )\n! Reaction Label HET_H2NO3PKA \n RKI( NCELL, 274) = BLKHET( NCELL, IK_HETERO_H2NO3PAK )\n! Reaction Label HET_H2NO3PIB \n RKI( NCELL, 275) = BLKHET( NCELL, IK_HETERO_H2NO3PBIJ )\n! Reaction Label HET_H2NO3PJB \n RKI( NCELL, 276) = BLKHET( NCELL, IK_HETERO_H2NO3PBIJ )\n! Reaction Label HET_H2NO3PKB \n RKI( NCELL, 277) = BLKHET( NCELL, IK_HETERO_H2NO3PBK )\n! Reaction Label HET_N02 \n RKI( NCELL, 278) = BLKHET( NCELL, IK_HETERO_NO2 )\n! Reaction Label HET_IEPOX \n RKI( NCELL, 279) = BLKHET( NCELL, IK_HETERO_IEPOX )\n! Reaction Label HET_IEPOXOS \n RKI( NCELL, 280) = BLKHET( NCELL, IK_HETERO_IEPOXOS )\n! Reaction Label HET_TETROL \n RKI( NCELL, 281) = BLKHET( NCELL, IK_HETERO_TETROL )\n! Reaction Label HET_GLY \n RKI( NCELL, 282) = BLKHET( NCELL, IK_HETERO_GLY )\n! Reaction Label HET_MGLY \n RKI( NCELL, 283) = BLKHET( NCELL, IK_HETERO_MGLY )\n! Reaction Label BL18a \n RKI( NCELL, 284) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.6000D-12, 3.8000D+02 )\n! Reaction Label BL18b \n RKI( NCELL, 285) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.6500D-13, 1.3000D+03 )\n! Reaction Label BL18c \n RKI( NCELL, 286) = 2.3000D-12 * CFACT \n! Reaction Label BL18d \n RKI( NCELL, 287) = 3.5000D-14 * CFACT \n! Reaction Label CP07mtp \n RKI( NCELL, 288) = 1.9200D-10 * CFACT \n! Reaction Label BP70mtp \n RKI( NCELL, 289) = 7.2000D-12 * CFACT \n! Reaction Label HYD_MT \n RKI( NCELL, 291) = 9.2590D-05 * SFACT \n! Reaction Label OLIG_AROMATIC1 \n RKI( NCELL, 292) = 9.4882D-06 * SFACT \n! Reaction Label OLIG_AROMATIC2 \n RKI( NCELL, 293) = 9.4882D-06 * SFACT \n! Reaction Label OLIG_AROMATIC3 \n RKI( NCELL, 294) = 9.4882D-06 * SFACT \n! Reaction Label OLIG_ISOPRENE1 \n RKI( NCELL, 295) = 9.4882D-06 * SFACT \n! Reaction Label OLIG_ISOPRENE2 \n RKI( NCELL, 296) = 9.4882D-06 * SFACT \n! Reaction Label OLIG_SESQT1 \n RKI( NCELL, 297) = 9.4882D-06 * SFACT \n! Reaction Label RPOAGEPI \n RKI( NCELL, 298) = 2.5000D-12 * CFACT \n! Reaction Label RPOAGELI \n RKI( NCELL, 299) = BLKHET( NCELL, IK_HETERO_PNCOMLI )\n! Reaction Label RPOAGEPJ \n RKI( NCELL, 300) = 2.5000D-12 * CFACT \n! Reaction Label RPOAGELJ \n RKI( NCELL, 301) = BLKHET( NCELL, IK_HETERO_PNCOMLJ )\n! Reaction Label PCSOA \n RKI( NCELL, 302) = 1.2500D-11 * CFACT \n! Reaction Label POA_AGE1 \n RKI( NCELL, 303) = 4.0000D-11 * CFACT \n! Reaction Label POA_AGE2 \n RKI( NCELL, 304) = 4.0000D-11 * CFACT \n! Reaction Label POA_AGE3 \n RKI( NCELL, 305) = 4.0000D-11 * CFACT \n! Reaction Label POA_AGE4 \n RKI( NCELL, 306) = 4.0000D-11 * CFACT \n! Reaction Label POA_AGE5 \n RKI( NCELL, 307) = 4.0000D-11 * CFACT \n! Reaction Label POA_AGE6 \n RKI( NCELL, 308) = 4.0000D-11 * CFACT \n! Reaction Label POA_AGE7 \n RKI( NCELL, 309) = 4.0000D-11 * CFACT \n! Reaction Label POA_AGE8 \n RKI( NCELL, 310) = 4.0000D-11 * CFACT \n! Reaction Label POA_AGE9 \n RKI( NCELL, 311) = 4.0000D-11 * CFACT \n! Reaction Label POA_AGE10 \n RKI( NCELL, 312) = 4.0000D-11 * CFACT \n! Reaction Label T01 \n RKI( NCELL, 313) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.4000D-12, 1.3500D+02 )\n! Reaction Label T02 \n RKI( NCELL, 314) = 5.5000D-16 * CFACT \n! Reaction Label T03 \n RKI( NCELL, 315) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.4000D-11, -1.6000D+03 )\n! Reaction Label TCL1 \n RKI( NCELL, 318) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.2000D-11, -3.4000D+01 )\n! Reaction Label T06 \n RKI( NCELL, 319) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.7000D-12, 3.4500D+02 )\n! Reaction Label T07 \n RKI( NCELL, 320) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.4000D-12, -1.8600D+03 )\n! Reaction Label T08 \n RKI( NCELL, 321) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.8000D-11, -1.1000D+03 )\n! Reaction Label TCL2 \n RKI( NCELL, 323) = 7.9000D-11 * CFACT \n! Reaction Label T10 \n RKI( NCELL, 324) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.4800D-11, 4.4800D+02 )\n! Reaction Label T11 \n RKI( NCELL, 325) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.3400D-14, -2.2830D+03 )\n! Reaction Label T12 \n RKI( NCELL, 326) = 1.7900D-13 * CFACT \n! Reaction Label TCL3 \n RKI( NCELL, 327) = 2.5100D-10 * CFACT \n! Reaction Label T13 \n RKI( NCELL, 328) = 2.0000D-11 * CFACT \n! Reaction Label T14 \n RKI( NCELL, 329) = 2.6100D-19 * CFACT \n! Reaction Label T15 \n RKI( NCELL, 330) = 1.1500D-15 * CFACT \n! Reaction Label TCL4 \n RKI( NCELL, 332) = 2.3700D-10 * CFACT \n! Reaction Label T17 \n RKI( NCELL, 333) = 2.0000D-11 * CFACT \n! Reaction Label T18 \n RKI( NCELL, 334) = 2.6100D-19 * CFACT \n! Reaction Label T19 \n RKI( NCELL, 335) = 1.1500D-15 * CFACT \n! Reaction Label TCL5 \n RKI( NCELL, 337) = 2.3700D-10 * CFACT \n! Reaction Label T21 \n RKI( NCELL, 338) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.8000D-12, 3.4000D+02 )\n! Reaction Label TCL6 \n RKI( NCELL, 339) = 6.1000D-11 * CFACT \n! Reaction Label HG1 \n RKI( NCELL, 340) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.1100D-18, -1.2565D+03 )\n! Reaction Label HG2 \n RKI( NCELL, 341) = 2.6000D-18 * CFACT \n! Reaction Label HG3 \n RKI( NCELL, 342) = 8.5000D-19 * CFACT \n! Reaction Label HG4 \n RKI( NCELL, 343) = 7.7000D-14 * CFACT \n! Reaction Label HG5 \n RKI( NCELL, 344) = CFACT_SQU * ARRHENUIS_T03( INV_TEMP, 2.2500D-33, 6.8000D+02 )\n! Reaction Label BR01 \n RKI( NCELL, 345) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.6000D-11, -7.8000D+02 )\n! Reaction Label BR02 \n RKI( NCELL, 346) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.5000D-12, 4.6000D+02 )\n! Reaction Label BR03 \n RKI( NCELL, 347) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.8000D-12, -3.1000D+02 )\n! Reaction Label BR04 \n RKI( NCELL, 348) = CFACT * ARRHENUIS_T03( INV_TEMP, 6.7000D-12, 1.5500D+02 )\n! Reaction Label BR05 \n RKI( NCELL, 349) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.4000D-12, 2.1000D+02 )\n! Reaction Label BR06 \n RKI( NCELL, 350) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9000D-14, 8.4000D+02 )\n! Reaction Label BR07 \n RKI( NCELL, 351) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.8000D-12, 2.6000D+02 )\n! Reaction Label BR08 \n RKI( NCELL, 352) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.9000D-11, 0.0000D+00 )\n! Reaction Label BR09 \n RKI( NCELL, 353) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.1000D-11, 2.4000D+02 )\n! Reaction Label BR10 \n RKI( NCELL, 354) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.7000D-11, 2.5000D+02 )\n! Reaction Label BR11 \n RKI( NCELL, 355) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.6000D-11, 0.0000D+00 )\n! Reaction Label BR12 \n RKI( NCELL, 356) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 5.2000D-31, 0.0000D+00, -3.2000D+00, & \n & 6.9000D-12, 0.0000D+00, -2.9000D+00, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label BR13 \n RKI( NCELL, 357) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 4.2000D-31, 0.0000D+00, -2.4000D+00, & \n & 2.7000D-11, 0.0000D+00, 0.0000D+00, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label BR14 \n RKI( NCELL, 358) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.7000D-12, 3.2000D+02 )\n! Reaction Label BR15 \n RKI( NCELL, 359) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.7000D-11, -8.0000D+02 )\n! Reaction Label BR16 \n RKI( NCELL, 360) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.3000D-11, -3.6000D+02 )\n! Reaction Label BR17 \n RKI( NCELL, 361) = 3.6000D-12 * CFACT \n! Reaction Label BR18 \n RKI( NCELL, 362) = 5.0000D-12 * CFACT \n! Reaction Label BR19 \n RKI( NCELL, 363) = 5.0000D-12 * CFACT \n! Reaction Label BR20 \n RKI( NCELL, 364) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-14, 1.6000D+03 )\n! Reaction Label BR22 \n RKI( NCELL, 365) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.0000D-12, -3.8800D+02 )\n! Reaction Label BR23 \n RKI( NCELL, 366) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.0000D-12, -8.4000D+02 )\n! Reaction Label BR24 \n RKI( NCELL, 367) = CFACT * ARRHENUIS_T03( INV_TEMP, 9.0000D-13, -4.2000D+02 )\n! Reaction Label BR25 \n RKI( NCELL, 368) = CFACT * ARRHENUIS_T03( INV_TEMP, 9.4000D-13, -5.1000D+02 )\n! Reaction Label BR26 \n RKI( NCELL, 369) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.1000D-12, -8.8000D+02 )\n! Reaction Label BR27 \n RKI( NCELL, 370) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.5000D-14, 1.0000D+03 )\n! Reaction Label HET_BRNO3_WAI \n RKI( NCELL, 382) = BLKHET( NCELL, IK_HETERO_BRNO3_WAI )\n! Reaction Label HET_BRNO3_WAJ \n RKI( NCELL, 383) = BLKHET( NCELL, IK_HETERO_BRNO3_WAJ )\n! Reaction Label HET_HOBR_CLJ \n RKI( NCELL, 384) = BLKHET( NCELL, IK_HETERO_HOBR_CLJ )\n! Reaction Label HET_HOBR_BRJ \n RKI( NCELL, 385) = BLKHET( NCELL, IK_HETERO_HOBR_BRJ )\n! Reaction Label HET_BRNO3_CLJ \n RKI( NCELL, 386) = BLKHET( NCELL, IK_HETERO_BRNO3_CLJ )\n! Reaction Label HET_BRNO3_BRJ \n RKI( NCELL, 387) = BLKHET( NCELL, IK_HETERO_BRNO3_BRJ )\n! Reaction Label HET_BRNO2_CLJ \n RKI( NCELL, 388) = BLKHET( NCELL, IK_HETERO_BRNO2_CLJ )\n! Reaction Label HET_BRNO2_BRJ \n RKI( NCELL, 389) = BLKHET( NCELL, IK_HETERO_BRNO2_BRJ )\n! Reaction Label HET_HBR_BRJ \n RKI( NCELL, 390) = BLKHET( NCELL, IK_HETERO_HBR_BRJ )\n! Reaction Label IO01 \n RKI( NCELL, 391) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.1000D-11, -8.3000D+02 )\n! Reaction Label IO02 \n RKI( NCELL, 392) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.5000D-11, -1.0900D+03 )\n! Reaction Label IO03 \n RKI( NCELL, 393) = 2.1000D-10 * CFACT \n! Reaction Label IO04 \n RKI( NCELL, 394) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.6000D-11, 4.4000D+02 )\n! Reaction Label IO05 \n RKI( NCELL, 395) = 5.0000D-12 * CFACT \n! Reaction Label IO06 \n RKI( NCELL, 396) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.4000D-11, 5.4000D+02 )\n! Reaction Label IO07 \n RKI( NCELL, 397) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.1500D-12, 3.0000D+02 )\n! Reaction Label IO08 \n RKI( NCELL, 398) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.4000D-11, -2.6200D+03 )\n! Reaction Label IO09 \n RKI( NCELL, 399) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.7000D-13, -1.6700D+03 )\n! Reaction Label IO10 \n RKI( NCELL, 400) = 1.5000D-12 * CFACT \n! Reaction Label IO11 \n RKI( NCELL, 401) = CFACT * ARRHENUIS_T03( INV_TEMP, 9.1000D-11, -1.4600D+02 )\n! Reaction Label IO12 \n RKI( NCELL, 402) = 1.2000D-11 * CFACT \n! Reaction Label IO13 \n RKI( NCELL, 403) = 2.7000D-11 * CFACT \n! Reaction Label IO14 \n RKI( NCELL, 404) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.5000D-11, 5.1000D+02 )\n! Reaction Label IO15 \n RKI( NCELL, 405) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.7000D-12, 2.8000D+02 )\n! Reaction Label IO16 \n RKI( NCELL, 406) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.5000D-10, 0.0000D+00 )\n! Reaction Label IO17 \n RKI( NCELL, 407) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.1000D-12, 5.4200D+02 )\n! Reaction Label IO18 \n RKI( NCELL, 408) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.4000D-11, 1.8000D+02 )\n! Reaction Label IO19 \n RKI( NCELL, 409) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.5000D-10, 0.0000D+00 )\n! Reaction Label IO20 \n RKI( NCELL, 410) = SFACT * ARRHENUIS_T03( INV_TEMP, 2.5000D+14, -9.7700D+03 )\n! Reaction Label IO21 \n RKI( NCELL, 411) = SFACT * ARRHENUIS_T03( INV_TEMP, 3.8000D-02, 0.0000D+00 )\n! Reaction Label IO22 \n RKI( NCELL, 412) = SFACT * ARRHENUIS_T03( INV_TEMP, 9.9400D+17, -1.1859D+04 )\n! Reaction Label IO23 \n RKI( NCELL, 413) = SFACT * ARRHENUIS_T03( INV_TEMP, 2.1000D+15, -1.3670D+04 )\n! Reaction Label IO24 \n RKI( NCELL, 414) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 1.8000D-32, 0.0000D+00, -1.0000D+00, & \n & 1.7000D-11, 0.0000D+00, 0.0000D+00, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label IO25 \n RKI( NCELL, 415) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 3.0000D-31, 0.0000D+00, -1.0000D+00, & \n & 6.6000D-11, 0.0000D+00, 0.0000D+00, & \n & 1.0000D+00, 6.3000D-01 )\n! Reaction Label IO26 \n RKI( NCELL, 416) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 7.7000D-31, 0.0000D+00, -5.0000D+00, & \n & 1.6000D-11, 0.0000D+00, 0.0000D+00, & \n & 1.0000D+00, 4.0000D-01 )\n! Reaction Label IO27 \n RKI( NCELL, 417) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.3000D-12, -1.1200D+03 )\n! Reaction Label IO28 \n RKI( NCELL, 418) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.3000D-13, -9.2500D+02 )\n! Reaction Label IO45 \n RKI( NCELL, 435) = CFACT * POWER_T02( TEMPOT300, 2.7000D-12, -2.6600D+00 )\n! Reaction Label IO46 \n RKI( NCELL, 436) = SFACT * ARRHENUIS_T03( INV_TEMP, 1.0000D+12, -9.7700D+03 )\n! Reaction Label HET_I2O2_AI \n RKI( NCELL, 437) = BLKHET( NCELL, IK_HETERO_I2O2_AI )\n! Reaction Label HET_I2O2_AJ \n RKI( NCELL, 438) = BLKHET( NCELL, IK_HETERO_I2O2_AJ )\n! Reaction Label HET_I2O3_AI \n RKI( NCELL, 439) = BLKHET( NCELL, IK_HETERO_I2O3_AI )\n! Reaction Label HET_I2O3_AJ \n RKI( NCELL, 440) = BLKHET( NCELL, IK_HETERO_I2O3_AJ )\n! Reaction Label HET_I2O4_AI \n RKI( NCELL, 441) = BLKHET( NCELL, IK_HETERO_I2O4_AI )\n! Reaction Label HET_I2O4_AJ \n RKI( NCELL, 442) = BLKHET( NCELL, IK_HETERO_I2O4_AJ )\n! Reaction Label HET_INO3_CLJ \n RKI( NCELL, 443) = BLKHET( NCELL, IK_HETERO_INO3_CLJ )\n! Reaction Label HET_INO3_BRJ \n RKI( NCELL, 444) = BLKHET( NCELL, IK_HETERO_INO3_BRJ )\n! Reaction Label HET_INO2_CLJ \n RKI( NCELL, 445) = BLKHET( NCELL, IK_HETERO_INO2_CLJ )\n! Reaction Label HET_INO2_BRJ \n RKI( NCELL, 446) = BLKHET( NCELL, IK_HETERO_INO2_BRJ )\n! Reaction Label HET_HOI_CLJ \n RKI( NCELL, 447) = BLKHET( NCELL, IK_HETERO_HOI_CLJ )\n! Reaction Label HET_HOI_BRJ \n RKI( NCELL, 448) = BLKHET( NCELL, IK_HETERO_HOI_BRJ )\n! Reaction Label DMS1 \n RKI( NCELL, 449) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.1200D-11, -2.5000D+02 )\n! Reaction Label DMS2 \n RKI( NCELL, 450) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 1.9900D-39, 5.2700D+03, 0.0000D+00, & \n & 1.2600D-10, -3.4000D+02, 0.0000D+00, & \n & 1.0000D+00, 1.0000D+00 )\n! Reaction Label DMS3 \n RKI( NCELL, 451) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.9000D-13, 5.2000D+02 )\n! Reaction Label DMS4 \n RKI( NCELL, 452) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.4000D-13, 2.0810D+03 )\n! Reaction Label DMS5 \n RKI( NCELL, 453) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.7000D-15, 3.4000D+02 )\n\n END DO \n! Multiply rate constants by [M], [O2], [N2], [H2O], [H2], or [CH4]\n! where needed and return\n IF ( NWM .GT. 0 ) THEN\n DO NRT = 1, NWM\n IRXN = NRXWM( NRT )\n DO NCELL = 1, NUMCELLS\n RKI( NCELL,IRXN ) = RKI( NCELL,IRXN ) * ATM_AIR\n END DO\n END DO\n END IF\n IF ( NWO2 .GT. 0 ) THEN\n DO NRT = 1, NWO2\n IRXN = NRXWO2( NRT )\n DO NCELL = 1, NUMCELLS\n RKI( NCELL,IRXN ) = RKI( NCELL,IRXN ) * ATM_O2\n END DO\n END DO\n END IF\n IF ( NWN2 .GT. 0 ) THEN\n DO NRT = 1, NWN2\n IRXN = NRXWN2( NRT )\n DO NCELL = 1, NUMCELLS\n RKI( NCELL,IRXN ) = RKI( NCELL,IRXN ) * ATM_N2\n END DO\n END DO\n END IF\n IF ( NWW .GT. 0 ) THEN\n DO NRT = 1, NWW\n IRXN = NRXWW( NRT )\n DO NCELL = 1, NUMCELLS\n RKI( NCELL,IRXN ) = RKI( NCELL,IRXN ) * BLKH2O( NCELL )\n END DO\n END DO\n END IF\n IF ( NWH2 .GT. 0 ) THEN\n DO NRT = 1, NWH2\n IRXN = NRXWH2( NRT )\n DO NCELL = 1, NUMCELLS\n RKI( NCELL,IRXN ) = RKI( NCELL,IRXN ) * ATM_H2\n END DO\n END DO\n END IF\n IF ( NWCH4 .GT. 0 ) THEN\n DO NRT = 1, NWCH4\n IRXN = NRXWCH4( NRT )\n DO NCELL = 1, NUMCELLS\n RKI( NCELL,IRXN ) = RKI( NCELL,IRXN ) * ATM_CH4\n END DO\n END DO\n END IF\n RETURN\n END SUBROUTINE CALC_RCONST\n FUNCTION MAP_CHEMISTRY_SPECIES() RESULT ( SUCCESS )\n\n! Purpose find or test the CGRID Index, Species Type, and Conversion Factor\n! for the Mechanism against the CMAQ namelists\n\n USE UTILIO_DEFN\n USE CGRID_SPCS\n USE RXNS_DATA\n\n IMPLICIT NONE\n\n!Parameters:\n CHARACTER( 1 ), PARAMETER :: BL = ' '\n INTEGER, PARAMETER :: SPC_DIM = 200\n!Local:\n\n LOGICAL SUCCESS\n INTEGER I, IOS, J\n INTEGER I1, I2, I3, I4 ! SURROGATE TYPE 1 COUNTERS\n INTEGER J1, J2 ! SURROGATE TYPE 2 COUNTERS\n INTEGER K1, K2, K3, K4, K5 ! CONTROL TYPE COUNTERS\n INTEGER ICALL\n\n LOGICAL :: ORDER = .TRUE.\n LOGICAL :: FOUND = .TRUE.\n\n CHARACTER( 120 ) :: XMSG\n\n CHARACTER( 16 ), ALLOCATABLE :: CGRID_SPC ( : )\n CHARACTER( 16 ), ALLOCATABLE :: NML_SPC ( : )\n CHARACTER( 2 ), ALLOCATABLE :: NML_TYPE ( : )\n INTEGER, ALLOCATABLE :: NML_INDEX ( : )\n LOGICAL, ALLOCATABLE :: NML_CONVERT( : )\n REAL, ALLOCATABLE :: NML_MOLWT ( : )\n REAL :: DELTA ! fractional difference\n\n LOGICAL, SAVE :: INITIALIZED = .FALSE.\n\n IF( INITIALIZED )RETURN\n\n INITIALIZED = .TRUE.\n SUCCESS = .TRUE.\n\n\n ALLOCATE ( CGRID_SPC( NSPCSD - 1 ), &\n & NML_SPC ( NSPCSD - 1 ), &\n & NML_INDEX( NSPCSD - 1 ), &\n & NML_TYPE( NSPCSD - 1 ), &\n & NML_CONVERT( NSPCSD - 1 ), &\n & NML_MOLWT( NSPCSD - 1 ), &\n & STAT = IOS )\n\n\n J = 0\n\n\n NML_INDEX = -1\n TYPE_INDEX = -1\n NML_TYPE = '??'\n NML_CONVERT = .FALSE.\n\n DO I = 1, N_GC_SPC ! load gc names and indices\n J = J + 1\n CGRID_SPC( I ) = GC_SPC( I )\n NML_INDEX( J ) = I + GC_STRT -1\n NML_TYPE( J ) = 'GC'\n NML_MOLWT( J ) = GC_MOLWT( I )\n END DO\n\n DO I = 1, N_AE_SPC ! load ae names and indices\n J = J + 1\n CGRID_SPC( J ) = AE_SPC( I )\n NML_INDEX( J ) = I + AE_STRT - 1\n NML_TYPE( J ) = 'AE'\n NML_CONVERT( J ) = .TRUE.\n NML_MOLWT( J ) = AE_MOLWT( I )\n END DO\n\n DO I = 1, N_NR_SPC ! load nr names and indices\n J = J + 1\n CGRID_SPC( J ) = NR_SPC( I )\n NML_INDEX( J ) = I + NR_STRT - 1\n NML_TYPE( J ) = 'NR'\n NML_MOLWT( J ) = NR_MOLWT( I )\n END DO\n\n DO I = 1, N_TR_SPC ! load tr names and indices\n J = J + 1\n CGRID_SPC( J ) = TR_SPC( I )\n NML_INDEX( J ) = I + TR_STRT - 1\n NML_TYPE( J ) = 'TR'\n NML_MOLWT( J ) = TR_MOLWT( I )\n END DO\n\n NML_SPC( 1:(NSPCSD-1) ) = CGRID_SPC( 1:(NSPCSD-1) )\n\n\n! determine if mechanism species are in cgrid species\n\n DO I = 1, NUMB_MECH_SPC\n! set species informations arrays using SPECIES_LIST array before mapping\n CHEMISTRY_SPC( I ) = SPECIES_LIST( I )%CHEMISTRY_SPC\n CGRID_INDEX ( I ) = SPECIES_LIST( I )%CGRID_INDEX\n SPECIES_TYPE ( I ) = SPECIES_LIST( I )%SPECIES_TYPE\n CONVERT_CONC ( I ) = SPECIES_LIST( I )%CONVERT_CONC\n SPECIES_MOLWT( I ) = SPECIES_LIST( I )%SPECIES_MOLWT\n\n I1 = INDEX1R( CHEMISTRY_SPC( I ), (NSPCSD-1), CGRID_SPC )\n IF ( I1 .LT. 1 ) THEN\n FOUND = .FALSE.\n ELSE\n FOUND = .TRUE.\n IF( .NOT. MAPPED_TO_CGRID )THEN\n CGRID_INDEX( I ) = NML_INDEX( I1 )\n SPECIES_TYPE( I ) = NML_TYPE ( I1 )\n SPECIES_MOLWT( I ) = NML_MOLWT( I1 )\n CONVERT_CONC( I ) = NML_CONVERT( I1 )\n ELSE\n IF(CGRID_INDEX( I ) .NE. NML_INDEX( I1 ))THEN\n SUCCESS = .FALSE.\n XMSG = '*** For Species ' // TRIM( CHEMISTRY_SPC( I ) ) &\n & // ' cgrid index does not match mechanism value.'\n WRITE( LOGDEV,'( /5X, A )' ) TRIM( XMSG )\n WRITE( XMSG,'(A,I3,1X,I3)')'CGRID Indices: Mechanism and NML Values are ', &\n & CGRID_INDEX( I ),NML_INDEX( I1 )\n WRITE( LOGDEV,'( 5X, A )' )XMSG\n END IF\n IF(CONVERT_CONC( I ) .NEQV. NML_CONVERT( I1 ))THEN\n SUCCESS = .FALSE.\n XMSG = '*** For Species ' // TRIM( CHEMISTRY_SPC( I ) ) &\n & // ' species unit conversion flag does not match mechanism value.'\n WRITE( LOGDEV,'( /5X, A )' ) TRIM( XMSG )\n WRITE( XMSG,'(A,1X,L21X,L2)')'CONVERSION FLAGS: Mechanism and NML Values are ', &\n & CONVERT_CONC( I ),NML_CONVERT( I1 )\n WRITE( LOGDEV,'( 5X, A )' )XMSG\n WRITE( XMSG,'(A,1X,A3,1X,A3)')'SPECIES TYPE: Mechanism and NML Values are ', &\n & SPECIES_TYPE( I ),NML_TYPE( I1 )\n WRITE( LOGDEV,'( 5X, A )' )XMSG\n END IF\n DELTA = ( SPECIES_MOLWT( I ) - NML_MOLWT( I1 ) )/MAX(NML_MOLWT( I1 ),1.0E-20)\n IF( ABS( DELTA ) .GE. 0.05 )THEN\n IF( CONVERT_CONC( I ) )SUCCESS = .FALSE.\n XMSG = '*** For Species ' // TRIM( CHEMISTRY_SPC( I ) ) &\n & // ' species molecular weight does not match mechanism value.'\n WRITE( LOGDEV,'( /5X, A )' ) TRIM( XMSG )\n WRITE( XMSG,'(A,2(ES12.4,1X))')'Molecular Weight: Mechanism and NML Values are ', &\n & SPECIES_MOLWT( I ), NML_MOLWT( I1 )\n WRITE( LOGDEV,'( 5X, A )' )XMSG\n END IF\n END IF\n END IF\n IF( INDEX( CHEMISTRY_SPC( I ), 'SRF') .GT. 0 )THEN\n SUCCESS = .FALSE.\n XMSG = '*** reactions cannot use modal aerosol surface area as species'\n WRITE( LOGDEV,'( /5X, A )' ) TRIM( XMSG )\n XMSG = TRIM( CHEMISTRY_SPC( I ) )\n WRITE( LOGDEV,'( 2X, A )' ) TRIM( XMSG )\n END IF\n IF( INDEX( CHEMISTRY_SPC( I ), 'NUM') .GT. 0 )THEN\n SUCCESS = .FALSE.\n XMSG = '*** reactions cannot use modal aerosol number density as species'\n WRITE( LOGDEV,'( /5X, A )' ) TRIM( XMSG )\n XMSG = TRIM( CHEMISTRY_SPC( I ) )\n WRITE( LOGDEV,'( 2X, A )' ) TRIM( XMSG )\n END IF\n IF ( .NOT. FOUND ) THEN\n XMSG = 'Fatal error: Mechanism Species found not in species namelist:'\n WRITE( LOGDEV,'( /5X, A )', ADVANCE = 'NO' ) TRIM( XMSG )\n XMSG = TRIM( CHEMISTRY_SPC( I ) )\n WRITE( LOGDEV,'( 2X, A )' ) TRIM( XMSG )\n SUCCESS = .FALSE.\n END IF\n END DO\n\n IF( SUCCESS )RETURN\n\n WRITE(LOGDEV,99901)TRIM( MECHNAME )\n XMSG = 'The FATAL errors found in namelist used. Check ' &\n & // 'the log of exiting processor if more details are needed.'\n CALL M3WARN('MAP_CHEMISTRY_SPECIES',0,0,XMSG)\n\n\n99901 FORMAT( / 'FATAL error(s) found in the namelists used. Check that ' &\n & / 'these namelists contain the above data as the respective files ' &\n & / 'in the respository version of the mechanism: ' , A )\n\n RETURN\n\n END FUNCTION MAP_CHEMISTRY_SPECIES\n!----------------------------------------------------------------------------------------\n INTEGER FUNCTION INDEX1R ( NAME, N, NLIST )\n IMPLICIT NONE\n CHARACTER( * ) NAME ! character string being searched for\n INTEGER N ! length of array to be searched\n CHARACTER( * ) NLIST( : ) ! array to be searched\n\n INTEGER I\n\n DO I = 1, N\n IF ( NAME .EQ. NLIST( I ) ) THEN\n INDEX1R = I\n RETURN\n END IF\n END DO\n INDEX1R = 0\n RETURN\n\n END FUNCTION INDEX1R\n SUBROUTINE RESET_SPECIES_POINTERS( IOLD2NEW )\n\n USE RXNS_DATA\n IMPLICIT NONE\n INTEGER, INTENT( IN ) :: IOLD2NEW( :,: ) \n\n\n INDEX_NO2 = IOLD2NEW( INDEX_NO2 , 1 )\n INDEX_NO = IOLD2NEW( INDEX_NO , 1 )\n INDEX_O = IOLD2NEW( INDEX_O , 1 )\n INDEX_O3 = IOLD2NEW( INDEX_O3 , 1 )\n INDEX_NO3 = IOLD2NEW( INDEX_NO3 , 1 )\n INDEX_O1D = IOLD2NEW( INDEX_O1D , 1 )\n INDEX_OH = IOLD2NEW( INDEX_OH , 1 )\n INDEX_HO2 = IOLD2NEW( INDEX_HO2 , 1 )\n INDEX_H2O2 = IOLD2NEW( INDEX_H2O2 , 1 )\n INDEX_N2O5 = IOLD2NEW( INDEX_N2O5 , 1 )\n INDEX_HNO3 = IOLD2NEW( INDEX_HNO3 , 1 )\n INDEX_HONO = IOLD2NEW( INDEX_HONO , 1 )\n INDEX_PNA = IOLD2NEW( INDEX_PNA , 1 )\n INDEX_SO2 = IOLD2NEW( INDEX_SO2 , 1 )\n INDEX_SULF = IOLD2NEW( INDEX_SULF , 1 )\n INDEX_SULRXN = IOLD2NEW( INDEX_SULRXN , 1 )\n INDEX_C2O3 = IOLD2NEW( INDEX_C2O3 , 1 )\n INDEX_MEO2 = IOLD2NEW( INDEX_MEO2 , 1 )\n INDEX_RO2 = IOLD2NEW( INDEX_RO2 , 1 )\n INDEX_PAN = IOLD2NEW( INDEX_PAN , 1 )\n INDEX_PACD = IOLD2NEW( INDEX_PACD , 1 )\n INDEX_AACD = IOLD2NEW( INDEX_AACD , 1 )\n INDEX_CXO3 = IOLD2NEW( INDEX_CXO3 , 1 )\n INDEX_ALD2 = IOLD2NEW( INDEX_ALD2 , 1 )\n INDEX_XO2H = IOLD2NEW( INDEX_XO2H , 1 )\n INDEX_PANX = IOLD2NEW( INDEX_PANX , 1 )\n INDEX_FORM = IOLD2NEW( INDEX_FORM , 1 )\n INDEX_MEPX = IOLD2NEW( INDEX_MEPX , 1 )\n INDEX_MEOH = IOLD2NEW( INDEX_MEOH , 1 )\n INDEX_ROOH = IOLD2NEW( INDEX_ROOH , 1 )\n INDEX_XO2 = IOLD2NEW( INDEX_XO2 , 1 )\n INDEX_XO2N = IOLD2NEW( INDEX_XO2N , 1 )\n INDEX_NTR1 = IOLD2NEW( INDEX_NTR1 , 1 )\n INDEX_NTR2 = IOLD2NEW( INDEX_NTR2 , 1 )\n INDEX_FACD = IOLD2NEW( INDEX_FACD , 1 )\n INDEX_CO = IOLD2NEW( INDEX_CO , 1 )\n INDEX_HCO3 = IOLD2NEW( INDEX_HCO3 , 1 )\n INDEX_ALDX = IOLD2NEW( INDEX_ALDX , 1 )\n INDEX_GLYD = IOLD2NEW( INDEX_GLYD , 1 )\n INDEX_GLY = IOLD2NEW( INDEX_GLY , 1 )\n INDEX_MGLY = IOLD2NEW( INDEX_MGLY , 1 )\n INDEX_ETHA = IOLD2NEW( INDEX_ETHA , 1 )\n INDEX_ETOH = IOLD2NEW( INDEX_ETOH , 1 )\n INDEX_KET = IOLD2NEW( INDEX_KET , 1 )\n INDEX_PAR = IOLD2NEW( INDEX_PAR , 1 )\n INDEX_ACET = IOLD2NEW( INDEX_ACET , 1 )\n INDEX_PRPA = IOLD2NEW( INDEX_PRPA , 1 )\n INDEX_XPRP = IOLD2NEW( INDEX_XPRP , 1 )\n INDEX_XPAR = IOLD2NEW( INDEX_XPAR , 1 )\n INDEX_ROR = IOLD2NEW( INDEX_ROR , 1 )\n INDEX_ETHY = IOLD2NEW( INDEX_ETHY , 1 )\n INDEX_ETH = IOLD2NEW( INDEX_ETH , 1 )\n INDEX_OLE = IOLD2NEW( INDEX_OLE , 1 )\n INDEX_IOLE = IOLD2NEW( INDEX_IOLE , 1 )\n INDEX_ISOP = IOLD2NEW( INDEX_ISOP , 1 )\n INDEX_ISO2 = IOLD2NEW( INDEX_ISO2 , 1 )\n INDEX_ISOPRXN = IOLD2NEW( INDEX_ISOPRXN , 1 )\n INDEX_ISPD = IOLD2NEW( INDEX_ISPD , 1 )\n INDEX_INTR = IOLD2NEW( INDEX_INTR , 1 )\n INDEX_ISPX = IOLD2NEW( INDEX_ISPX , 1 )\n INDEX_HPLD = IOLD2NEW( INDEX_HPLD , 1 )\n INDEX_OPO3 = IOLD2NEW( INDEX_OPO3 , 1 )\n INDEX_EPOX = IOLD2NEW( INDEX_EPOX , 1 )\n INDEX_EPX2 = IOLD2NEW( INDEX_EPX2 , 1 )\n INDEX_TERP = IOLD2NEW( INDEX_TERP , 1 )\n INDEX_TRPRXN = IOLD2NEW( INDEX_TRPRXN , 1 )\n INDEX_TERPNRO2 = IOLD2NEW( INDEX_TERPNRO2 , 1 )\n INDEX_APIN = IOLD2NEW( INDEX_APIN , 1 )\n INDEX_BENZENE = IOLD2NEW( INDEX_BENZENE , 1 )\n INDEX_CRES = IOLD2NEW( INDEX_CRES , 1 )\n INDEX_BZO2 = IOLD2NEW( INDEX_BZO2 , 1 )\n INDEX_OPEN = IOLD2NEW( INDEX_OPEN , 1 )\n INDEX_BENZRO2 = IOLD2NEW( INDEX_BENZRO2 , 1 )\n INDEX_TOL = IOLD2NEW( INDEX_TOL , 1 )\n INDEX_TO2 = IOLD2NEW( INDEX_TO2 , 1 )\n INDEX_TOLRO2 = IOLD2NEW( INDEX_TOLRO2 , 1 )\n INDEX_XOPN = IOLD2NEW( INDEX_XOPN , 1 )\n INDEX_XYLMN = IOLD2NEW( INDEX_XYLMN , 1 )\n INDEX_XLO2 = IOLD2NEW( INDEX_XLO2 , 1 )\n INDEX_XYLRO2 = IOLD2NEW( INDEX_XYLRO2 , 1 )\n INDEX_NAPH = IOLD2NEW( INDEX_NAPH , 1 )\n INDEX_PAHRO2 = IOLD2NEW( INDEX_PAHRO2 , 1 )\n INDEX_CRO = IOLD2NEW( INDEX_CRO , 1 )\n INDEX_CAT1 = IOLD2NEW( INDEX_CAT1 , 1 )\n INDEX_CRON = IOLD2NEW( INDEX_CRON , 1 )\n INDEX_OPAN = IOLD2NEW( INDEX_OPAN , 1 )\n INDEX_ECH4 = IOLD2NEW( INDEX_ECH4 , 1 )\n INDEX_CL2 = IOLD2NEW( INDEX_CL2 , 1 )\n INDEX_CL = IOLD2NEW( INDEX_CL , 1 )\n INDEX_HOCL = IOLD2NEW( INDEX_HOCL , 1 )\n INDEX_CLO = IOLD2NEW( INDEX_CLO , 1 )\n INDEX_FMCL = IOLD2NEW( INDEX_FMCL , 1 )\n INDEX_HCL = IOLD2NEW( INDEX_HCL , 1 )\n INDEX_CLNO2 = IOLD2NEW( INDEX_CLNO2 , 1 )\n INDEX_CLNO3 = IOLD2NEW( INDEX_CLNO3 , 1 )\n INDEX_SVAVB2 = IOLD2NEW( INDEX_SVAVB2 , 1 )\n INDEX_SVAVB3 = IOLD2NEW( INDEX_SVAVB3 , 1 )\n INDEX_SVAVB4 = IOLD2NEW( INDEX_SVAVB4 , 1 )\n INDEX_SVAVB1 = IOLD2NEW( INDEX_SVAVB1 , 1 )\n INDEX_SESQ = IOLD2NEW( INDEX_SESQ , 1 )\n INDEX_SESQRXN = IOLD2NEW( INDEX_SESQRXN , 1 )\n INDEX_SOAALK = IOLD2NEW( INDEX_SOAALK , 1 )\n INDEX_H2NO3PIJ = IOLD2NEW( INDEX_H2NO3PIJ , 1 )\n INDEX_H2NO3PK = IOLD2NEW( INDEX_H2NO3PK , 1 )\n INDEX_ACLI = IOLD2NEW( INDEX_ACLI , 1 )\n INDEX_ACLJ = IOLD2NEW( INDEX_ACLJ , 1 )\n INDEX_ACLK = IOLD2NEW( INDEX_ACLK , 1 )\n INDEX_IEPOXP = IOLD2NEW( INDEX_IEPOXP , 1 )\n INDEX_ASO4J = IOLD2NEW( INDEX_ASO4J , 1 )\n INDEX_AISO3J = IOLD2NEW( INDEX_AISO3J , 1 )\n INDEX_AGLYJ = IOLD2NEW( INDEX_AGLYJ , 1 )\n INDEX_MTNO3 = IOLD2NEW( INDEX_MTNO3 , 1 )\n INDEX_AMTNO3J = IOLD2NEW( INDEX_AMTNO3J , 1 )\n INDEX_AMTHYDJ = IOLD2NEW( INDEX_AMTHYDJ , 1 )\n INDEX_AAVB2J = IOLD2NEW( INDEX_AAVB2J , 1 )\n INDEX_AOLGAJ = IOLD2NEW( INDEX_AOLGAJ , 1 )\n INDEX_AAVB3J = IOLD2NEW( INDEX_AAVB3J , 1 )\n INDEX_AAVB4J = IOLD2NEW( INDEX_AAVB4J , 1 )\n INDEX_AISO1J = IOLD2NEW( INDEX_AISO1J , 1 )\n INDEX_AOLGBJ = IOLD2NEW( INDEX_AOLGBJ , 1 )\n INDEX_AISO2J = IOLD2NEW( INDEX_AISO2J , 1 )\n INDEX_ASQTJ = IOLD2NEW( INDEX_ASQTJ , 1 )\n INDEX_APOCI = IOLD2NEW( INDEX_APOCI , 1 )\n INDEX_APNCOMI = IOLD2NEW( INDEX_APNCOMI , 1 )\n INDEX_APOCJ = IOLD2NEW( INDEX_APOCJ , 1 )\n INDEX_APNCOMJ = IOLD2NEW( INDEX_APNCOMJ , 1 )\n INDEX_PCVOC = IOLD2NEW( INDEX_PCVOC , 1 )\n INDEX_PCSOARXN = IOLD2NEW( INDEX_PCSOARXN , 1 )\n INDEX_VLVPO1 = IOLD2NEW( INDEX_VLVPO1 , 1 )\n INDEX_VSVPO1 = IOLD2NEW( INDEX_VSVPO1 , 1 )\n INDEX_VSVPO2 = IOLD2NEW( INDEX_VSVPO2 , 1 )\n INDEX_VSVPO3 = IOLD2NEW( INDEX_VSVPO3 , 1 )\n INDEX_VIVPO1 = IOLD2NEW( INDEX_VIVPO1 , 1 )\n INDEX_VLVOO1 = IOLD2NEW( INDEX_VLVOO1 , 1 )\n INDEX_VLVOO2 = IOLD2NEW( INDEX_VLVOO2 , 1 )\n INDEX_VSVOO2 = IOLD2NEW( INDEX_VSVOO2 , 1 )\n INDEX_VSVOO3 = IOLD2NEW( INDEX_VSVOO3 , 1 )\n INDEX_VSVOO1 = IOLD2NEW( INDEX_VSVOO1 , 1 )\n INDEX_FORM_PRIMARY = IOLD2NEW( INDEX_FORM_PRIMARY, 1 )\n INDEX_ALD2_PRIMARY = IOLD2NEW( INDEX_ALD2_PRIMARY, 1 )\n INDEX_BUTADIENE13 = IOLD2NEW( INDEX_BUTADIENE13 , 1 )\n INDEX_ACROLEIN = IOLD2NEW( INDEX_ACROLEIN , 1 )\n INDEX_ACRO_PRIMARY = IOLD2NEW( INDEX_ACRO_PRIMARY, 1 )\n INDEX_TOLU = IOLD2NEW( INDEX_TOLU , 1 )\n INDEX_HG = IOLD2NEW( INDEX_HG , 1 )\n INDEX_HGIIAER = IOLD2NEW( INDEX_HGIIAER , 1 )\n INDEX_HGIIGAS = IOLD2NEW( INDEX_HGIIGAS , 1 )\n INDEX_BR = IOLD2NEW( INDEX_BR , 1 )\n INDEX_BRO = IOLD2NEW( INDEX_BRO , 1 )\n INDEX_HOBR = IOLD2NEW( INDEX_HOBR , 1 )\n INDEX_HBR = IOLD2NEW( INDEX_HBR , 1 )\n INDEX_BR2 = IOLD2NEW( INDEX_BR2 , 1 )\n INDEX_BRNO3 = IOLD2NEW( INDEX_BRNO3 , 1 )\n INDEX_BRNO2 = IOLD2NEW( INDEX_BRNO2 , 1 )\n INDEX_FMBR = IOLD2NEW( INDEX_FMBR , 1 )\n INDEX_MB3 = IOLD2NEW( INDEX_MB3 , 1 )\n INDEX_MB2 = IOLD2NEW( INDEX_MB2 , 1 )\n INDEX_MB2C = IOLD2NEW( INDEX_MB2C , 1 )\n INDEX_MBC2 = IOLD2NEW( INDEX_MBC2 , 1 )\n INDEX_MBC = IOLD2NEW( INDEX_MBC , 1 )\n INDEX_DMS = IOLD2NEW( INDEX_DMS , 1 )\n INDEX_MSA = IOLD2NEW( INDEX_MSA , 1 )\n INDEX_BRCL = IOLD2NEW( INDEX_BRCL , 1 )\n INDEX_ABRJ = IOLD2NEW( INDEX_ABRJ , 1 )\n INDEX_I = IOLD2NEW( INDEX_I , 1 )\n INDEX_IO = IOLD2NEW( INDEX_IO , 1 )\n INDEX_HI = IOLD2NEW( INDEX_HI , 1 )\n INDEX_I2 = IOLD2NEW( INDEX_I2 , 1 )\n INDEX_HOI = IOLD2NEW( INDEX_HOI , 1 )\n INDEX_INO = IOLD2NEW( INDEX_INO , 1 )\n INDEX_INO2 = IOLD2NEW( INDEX_INO2 , 1 )\n INDEX_INO3 = IOLD2NEW( INDEX_INO3 , 1 )\n INDEX_OIO = IOLD2NEW( INDEX_OIO , 1 )\n INDEX_I2O4 = IOLD2NEW( INDEX_I2O4 , 1 )\n INDEX_I2O2 = IOLD2NEW( INDEX_I2O2 , 1 )\n INDEX_I2O3 = IOLD2NEW( INDEX_I2O3 , 1 )\n INDEX_CH3I = IOLD2NEW( INDEX_CH3I , 1 )\n INDEX_ICL = IOLD2NEW( INDEX_ICL , 1 )\n INDEX_IBR = IOLD2NEW( INDEX_IBR , 1 )\n INDEX_MI2 = IOLD2NEW( INDEX_MI2 , 1 )\n INDEX_MIB = IOLD2NEW( INDEX_MIB , 1 )\n INDEX_MIC = IOLD2NEW( INDEX_MIC , 1 )\n END SUBROUTINE RESET_SPECIES_POINTERS\n END MODULE RXNS_FUNCTION\n" }, { "path": "CCTM/src/MECHS/cb6r5m_ae7_aq/SpecDef_Conc_cb6r5m_ae7_aq.txt", "content": "!#start YYYYJJJ 010000\n!#end YYYYJJJ 000000\n#layer 1\n\n/\n! This Species Definition File is for Use with the COMBINE tool built for \n! post-processing CMAQ output. It is compatible with CMAQv5.4.\n! Date: May 12 2017\n\n! Output variables that begin with 'PM' represent those in which a size cut was \n! applied based on modeled aerosol mode parameters. For example, PM25_NA is all \n! sodium that falls below 2.5 um diameter. These 'PM' variables are used for \n! comparisons at IMPROVE and CSN sites.\n\n! Output variables that begin with 'PMAMS' represent the mass that would have\n! been detected by an Aerosol Mass Spectrometer.\n\n! Output variables beginning with 'A' (aside from AIR_DENS) represent a \n! combination of aerosol species in which no size cut was applied. For example, \n! ASO4IJ is the sum of i-mode and j-mode sulfate. These 'A' variables are used \n! for comparisons at CASTNet sites.\n\n! Output variables beginning with 'PMC' refer to the coarse fraction of total PM,\n! computed by summing all modes and subtracting the PM2.5 fraction. These 'PMC'\n! variables are used for comparisons at SEARCH sites.\n\n! This Species Definition File is just for use with the uncoupled, offline CMAQ,\n! model. If you are processing WRF-CMAQ results, a different Species Definition\n! file is required.\n\n/ File [1]: CMAQ conc/aconc file\n/ File [2]: METCRO3D file\n/ File [3]: ELMO/AELMO file\n/ File [4]: METCRO2D file\n/\n/new species ,units ,expression\n \n!-------------------------------------------!\n!------------- Meteorology -----------------!\n!-------------------------------------------!\nAIR_DENS ,kg m-3 ,DENS[2]\nRH ,% ,100.00*RH[3]\nSFC_TMP ,C ,(TEMP2[4]-273.15)\nPBLH ,m ,PBL[4]\nSOL_RAD ,W m-2 ,RGRND[4]\nprecip ,cm ,RC[4]>=0 ? RN[4]+RC[4] : RN[4]\nWSPD10 ,m s-1 ,WSPD10[4]\nWDIR10 ,deg ,WDIR10[4]\n\n!-------------------------------------------!\n!--------------- Gases ---------------------!\n!-------------------------------------------!\nALD2 ,ppbV ,1000.0*ALD2[1]\nBENZENE ,ppbV ,1000.0*BENZENE[1]\nCO ,ppbV ,1000.0*CO[1]\nETH ,ppbV ,1000.0*ETH[1]\nETHA ,ppbV ,1000.0*ETHA[1]\nFORM ,ppbV ,1000.0*FORM[1]\nH2O2 ,ppbV ,1000.0*H2O2[1]\nHNO3 ,ppbV ,1000.0*HNO3[1]\nHNO3_UGM3 ,ug m-3 ,1000.0*(HNO3[1]*2.1756*DENS[2])\nHONO ,ppbV ,1000.0*HONO[1]\nHOX ,ppbV ,1000.0*(OH[1]+HO2[1])\nOH ,ppbV ,1000.0*(OH[1])\nISOP ,ppbV ,1000.0*ISOP[1]\nN2O5 ,ppbV ,1000.0*N2O5[1]\nNH3 ,ppbV ,1000.0*NH3[1]\nNH3_UGM3 ,ug m-3 ,1000.0*(NH3[1]*0.5880*DENS[2])\nNHX ,ug m-3 ,1000.0*(NH3[1]*0.5880*DENS[2])+ANH4I[1]+ANH4J[1]+ANH4K[1]\nNO ,ppbV ,1000.0*NO[1]\nNO2 ,ppbV ,1000.0*NO2[1]\nNOX ,ppbV ,1000.0*(NO[1] + NO2[1])\nANO3_PPB ,ppbV ,(ANO3I[1]+ANO3J[1]+ANO3K[1])/(DENS[2]*(62.0/28.97))\nNTR ,ppbV ,1000.0*(NTR1[1]+NTR2[1]+INTR[1])\nPANS ,ppbV ,1000.0*(PAN[1]+PANX[1]+OPAN[1])\nNOY ,ppbV ,1000.0* (NO[1]+NO2[1]+NO3[1]+2*N2O5[1]+HONO[1]+HNO3[1]+PNA[1] \\\n +CRON[1]+CLNO2[1]+CLNO3[1] \\\n +BRNO2[1]+BRNO3[1]+INO[1]+INO2[1]+INO3[1]) \\ \n +PANS[0]+NTR[0]+ANO3_PPB[0]\nO3 ,ppbV ,1000.0*O3[1]\nSO2 ,ppbV ,1000.0*SO2[1]\nSO2_UGM3 ,ug m-3 ,1000.0*(SO2[1]*2.2118*DENS[2])\nTERP ,ppbV ,1000.0*TERP[1]\nTOL ,ppbV ,1000.0*TOL[1]\nXYL ,ppbV ,1000.0*XYLMN[1]\n\n!Additional Toxic gases\n!ACROLEIN ,ug m-3 ,1000.0*(ACROLEIN[1]*1.9365*DENS[2])\n!ACRO_PRIMARY ,ug m-3 ,1000.0*(ACRO_PRIMARY*1.9365*DENS[2])\n!ALD2_PRIMARY ,ug m-3 ,1000.0*(ALD2_PRIMARY[1]*1.5188*DENS[2])\n!FORM_PRIMARY ,ug m-3 ,1000.0*(FORM_PRIMARY[1]*1.0356*DENS[2])\n!BUTADIENE13 ,ug m-3 ,1000.0*(BUTADIENE13[1]*1.8674*DENS[2])\n!HCL ,ppbV ,1000.0*HCL[1]\n!TOLUENE ,ppbV ,1000.0*TOLU[1]\n\n!Mercuric gas species\n!HG_0 ,ng/m3 ,1000.0*(HG[1]*8.3330*DENS[2]*1000.0) \n!HG_II ,ng/m3 ,1000.0*(HGIIGAS[1]*8.3330*DENS[2]*1000.0) \n\n!! Unused Gases. Presented Here for illustration. Users can uncomment\n!! them if they choose.\n!ALDX ,ppbV ,1000.0*ALDX[1]\n!IOLE ,ppbV ,1000.0*IOLE[1]\n!OLE ,ppbV ,1000.0*OLE[1]\n!PAR ,ppbV ,1000.0*PAR[1]\n!PAN ,ppbV ,1000.0*PAN[1]\n!SULF ,ppbV ,1000.0*SULF[1]\n! emitted VOCs\n!VOC ,ppbC ,1000.0* (PAR[1] +2.0*ETHA[1] +3.0*PRPA[1] +MEOH[1]\\\n! +2.0*ETH[1] +2.0*ETOH[1] +2.0*OLE[1] +3.0*ACET[1] \\\n! +7.0*TOL[1] +8.0*XYLMN[1] +6.0*BENZENE[1] \\\n! +FORM[1] +3.0*GLY[1] +4.0*KET[1] +2.0*ETHY[1] \\\n! +2.0*ALD2[1] + 2.0*ETHA[1] + 4.0*IOLE[1] + 2.0*ALDX[1] \\\n! +5.0*ISOP[1] + 10.0*TERP[1]+ 10.0*NAPH[1] +10.*APIN[1])\n\n!! DMS and MSA. Users can uncomment them if they choose.\nDMS ,ppbV ,1000.0*DMS[1]\nMSA ,ppbV ,1000.0*MSA[1]\n\n!-------------------------------------------!\n!--------------- Particles -----------------!\n!-------------------------------------------!\n!! Crustal Elements\nAFEJ ,ug m-3 ,AFEJ[1]\nAALJ ,ug m-3 ,AALJ[1]\nASIJ ,ug m-3 ,ASIJ[1]\nATIJ ,ug m-3 ,ATIJ[1]\nACAJ ,ug m-3 ,ACAJ[1]\nAMGJ ,ug m-3 ,AMGJ[1]\nAKJ ,ug m-3 ,AKJ[1]\nAMNJ ,ug m-3 ,AMNJ[1]\nASOILJ ,ug m-3 ,2.20*AALJ[1]+2.49*ASIJ[1]+1.63*ACAJ[1]+2.42*AFEJ[1]+1.94*ATIJ[1]\n\n!! Non-Crustal Inorganic Particle Species\nAHPLUSIJ ,umol m-3 ,(AH3OPI[1]+AH3OPJ[1])*1.0/19.0\nANAK ,ug m-3 ,0.8373*ASEACAT[1]+0.0626*ASOIL[1]+0.0023*ACORS[1]\nAMGK ,ug m-3 ,0.0997*ASEACAT[1]+0.0170*ASOIL[1]+0.0032*ACORS[1]\nAKK ,ug m-3 ,0.0310*ASEACAT[1]+0.0242*ASOIL[1]+0.0176*ACORS[1]\nACAK ,ug m-3 ,0.0320*ASEACAT[1]+0.0838*ASOIL[1]+0.0562*ACORS[1]\nACLIJ ,ug m-3 ,ACLI[1]+ACLJ[1]\nAECIJ ,ug m-3 ,AECI[1]+AECJ[1]\nANAIJ ,ug m-3 ,ANAJ[1]+ANAI[1]\nANO3IJ ,ug m-3 ,ANO3I[1]+ANO3J[1]\nANO3K ,ug m-3 ,ANO3K[1]\nTNO3 ,ug m-3 ,2175.6*(HNO3[1]*DENS[2])+ANO3I[1]+ANO3J[1]+ANO3K[1]\nANH4IJ ,ug m-3 ,ANH4I[1]+ANH4J[1]\nANH4K ,ug m-3 ,ANH4K[1]\nASO4IJ ,ug m-3 ,ASO4I[1]+ASO4J[1]\nASO4K ,ug m-3 ,ASO4K[1]\n\n!! Organic Particle Species\nAPOCI ,ugC m-3 ,ALVPO1I[1]/1.39 + ASVPO1I[1]/1.32 + ASVPO2I[1]/1.26 \\\n +APOCI[1]\nAPOCJ ,ugC m-3 ,ALVPO1J[1]/1.39 + ASVPO1J[1]/1.32 + ASVPO2J[1]/1.26 \\\n +ASVPO3J[1]/1.21 + AIVPO1J[1]/1.17 + APOCJ[1]\nAPOCIJ ,ugC m-3 ,APOCI[0] + APOCJ[0]\n\nAPOMI ,ug m-3 ,ALVPO1I[1] + ASVPO1I[1] + ASVPO2I[1] + APOCI[1] \\\n +APNCOMI[1]\nAPOMJ ,ug m-3 ,ALVPO1J[1] + ASVPO1J[1] + ASVPO2J[1] + APOCJ[1] \\\n +ASVPO3J[1] + AIVPO1J[1] + APNCOMJ[1]\nAPOMIJ ,ug m-3 ,APOMI[0] + APOMJ[0]\n\nASOCI ,ugC m-3 ,ALVOO1I[1]/2.27 + ALVOO2I[1]/2.06 \\\n +ASVOO1I[1]/1.88 + ASVOO2I[1]/1.73\nASOCJ ,ugC m-3 ,AISO1J[1]/2.20 + AISO2J[1]/2.23 + AISO3J[1]/2.80 \\\n +AMT1J[1]/1.67 + AMT2J[1]/1.67 + AMT3J[1]/1.72 \\\n +AMT4J[1]/1.53 + AMT5J[1]/1.57 + AMT6J[1]/1.40 \\\n +AMTNO3J[1]/1.90 + AMTHYDJ[1]/1.54 \\\n +AGLYJ[1]/2.13 + ASQTJ[1]/1.52 \\\n +AORGCJ[1]/2.00 + AOLGBJ[1]/2.10 + AOLGAJ[1]/2.50 \\\n +ALVOO1J[1]/2.27 + ALVOO2J[1]/2.06 + ASVOO1J[1]/1.88 \\\n +ASVOO2J[1]/1.73 + ASVOO3J[1]/1.60 \\\n +AAVB1J[1]/2.70 + AAVB2J[1]/2.35 + AAVB3J[1]/2.17 \\\n +AAVB4J[1]/1.99 + APCSOJ[1]/2.00\nASOCIJ ,ugC m-3 ,ASOCI[0] + ASOCJ[0]\n\nASOMI ,ug m-3 ,ALVOO1I[1] + ALVOO2I[1] + ASVOO1I[1] + ASVOO2I[1] \nASOMJ ,ug m-3 ,+AISO1J[1]+ AISO2J[1] + AISO3J[1] \\\n +AMT1J[1] + AMT2J[1] + AMT3J[1] \\\n +AMT4J[1] + AMT5J[1] + AMT6J[1] \\\n +AMTNO3J[1] + AMTHYDJ[1] \\\n +AGLYJ[1] + ASQTJ[1] \\\n +AORGCJ[1] + AOLGBJ[1] + AOLGAJ[1] \\\n +ALVOO1J[1] + ALVOO2J[1] + ASVOO1J[1] \\\n +ASVOO2J[1] + ASVOO3J[1] + APCSOJ[1] \\\n +AAVB1J[1] + AAVB2J[1] + AAVB3J[1] \\\n +AAVB4J[1]\nASOMIJ ,ug m-3 ,ASOMI[0] + ASOMJ[0]\n \nAOCI ,ugC m-3 ,APOCI[0] + ASOCI[0]\nAOCJ ,ugC m-3 ,APOCJ[0] + ASOCJ[0]\n\nAOCIJ ,ugC m-3 ,APOCIJ[0] + ASOCIJ[0]\n\n\nAOMI ,ug m-3 ,APOMI[0] + ASOMI[0]\nAOMJ ,ug m-3 ,APOMJ[0] + ASOMJ[0]\n\nAOMIJ ,ug m-3 ,APOMIJ[0] + ASOMIJ[0]\n\n!!! Anthropogenic-VOC Derived Organic Aerosol\nAORGAI ,ug m-3 ,ALVOO1I[1] + ALVOO2I[1] + ASVOO1I[1] \\ \n +ASVOO2I[1]\nAORGAJ ,ug m-3 ,ALVOO1J[1] + ALVOO2J[1] \\\n +ASVOO1J[1] + ASVOO2J[1] + ASVOO3J[1] \\\n +AAVB1J[1] + AAVB2J[1] + AAVB3J[1] \\\n +AAVB4J[1] + AOLGAJ[1] + APCSOJ[1] \nAORGAIJ ,ug m-3 ,AORGAI[0] + AORGAJ[0] \n\n!!! Biogenic-VOC Derived Organic Aerosol\nAORGBIJ ,ug m-3 ,AMT1J[1] + AMT2J[1] + AMT3J[1] + AMT4J[1] \\\n +AMT5J[1] + AMT6J[1] + AMTNO3J[1] \\\n +AMTHYDJ[1] + AISO1J[1] + AISO2J[1] \\\n +AISO3J[1] + ASQTJ[1] + AOLGBJ[1] \n\n!!! Cloud-Processed SOA\nAORGCJ ,ug m-3 ,AORGCJ[1]\n!!! Remaining SOA\nAGLYJ ,ug m-3 ,AGLYJ[1]\n\n!!! OM/OC ratios\nAOMOCRAT_TOT , ,AOMIJ[0]/AOCIJ[0]\n\n!! Total PM Aggregates\nATOTI ,ug m-3 ,ASO4I[1] + ANH4I[1] + ANO3I[1] + ANAI[1] \\\n +ACLI[1] + AECI[1] + AOMI[0] + AOTHRI[1] \nATOTJ ,ug m-3 ,ASO4J[1] + ANH4J[1] + ANO3J[1] + ANAJ[1] \\\n +ACLJ[1] + AECJ[1] + AOMJ[0] + AOTHRJ[1] \\\n +AFEJ[1] + AALJ[1] + ASIJ[1] + ATIJ[1] \\\n +ACAJ[1] + AMGJ[1] + AKJ[1] + AMNJ[1] \n \nATOTK ,ug m-3 ,ASO4K[1] + ANH4K[1] + ANO3K[1] + ACLK[1] \\\n +ACORS[1] + ASOIL[1] + ASEACAT[1] \nATOTIJ ,ug m-3 ,ATOTI[0] + ATOTJ[0] \nATOTIJK ,ug m-3 ,ATOTI[0] + ATOTJ[0] + ATOTK[0]\n\n!! Unspeciated PM including non-carbon organic mass\nAUNSPEC1IJ ,ug m-3 ,ATOTIJ[0] - (ASO4IJ[0] + ANO3IJ[0] \\\n +ANH4IJ[0] + ACLIJ[0] \\\n +ANAIJ[0] + AECIJ[0] \\\n +AOCIJ[0] + ASOILJ[0]) \n!! Non-Carbon Organic Mass\nANCOMIJ ,ug m-3 ,AOMIJ[0] - AOCIJ[0]\n\n!! Unspeciated PM excluding non-carbon organic mass\nAUNSPEC2IJ ,ug m-3 ,AUNSPEC1IJ[0] - ANCOMIJ[0]\n\n!! AMS Projection of Output Concentrations\nPMAMS_CL ,ug m-3 ,ACLI[1] *FAMSAIT[3] +ACLJ[1]*FAMSACC[3]+ACLK[1] *FAMSCOR[3]\nPMAMS_NH4 ,ug m-3 ,ANH4I[1]*FAMSAIT[3]+ANH4J[1]*FAMSACC[3]+ANH4K[1]*FAMSCOR[3]\nPMAMS_NO3 ,ug m-3 ,ANO3I[1]*FAMSAIT[3]+ANO3J[1]*FAMSACC[3]+ANO3K[1]*FAMSCOR[3]\nPMAMS_OA ,ug m-3 ,AOMI[0] *FAMSAIT[3]+AOMJ[0] *FAMSACC[3]\nPMAMS_SO4 ,ug m-3 ,ASO4I[1]*FAMSAIT[3]+ASO4J[1]*FAMSACC[3]+ASO4K[1]*FAMSCOR[3]\n\n!! PM1 Cutoff Output\nPM1_TOT ,ug m-3 ,ATOTI[0]*FPM1AIT[3]+ATOTJ[0]*FPM1ACC[3]+ATOTK[0]*FPM1COR[3]\n\n!! Unused PM1 Species. Included Here for demonstration\n!PM1_EC ,ug m-3 ,AECI[1] *FPM1AIT[3] +AECJ[1] *FPM1ACC[3]\n!PM1_OC ,ugC m-3 ,AOCI[0] *FPM1AIT[3] +AOCJ[0] *FPM1ACC[3]\n!PM1_OM ,ug m-3 ,AOMI[0] *FPM1AIT[3] +AOMJ[0] *FPM1ACC[3]\n!PM1_SO4 ,ug m-3 ,ASO4I[1]*FPM1AIT[3] +ASO4J[1]*FPM1ACC[3] +ASO4K[1]*FPM1COR[3]\n!PM1_CL ,ug m-3 ,ACLI[1] *FPM1AIT[3] +ACLJ[1] *FPM1ACC[3] +ACLK[1] *FPM1COR[3]\n!PM1_NA ,ug m-3 ,ANAI[1] *FPM1AIT[3] +ANAJ[1] *FPM1ACC[3] +ANAK[0] *FPM1COR[3]\n!PM1_MG ,ug m-3 , AMGJ[1] *FPM1ACC[3] +AMGK[0] *FPM1COR[3]\n!PM1_K ,ug m-3 , AKJ[1] *FPM1ACC[3] +AKK[0] *FPM1COR[3]\n!PM1_CA ,ug m-3 , ACAJ[1] *FPM1ACC[3] +ACAK[0] *FPM1COR[3]\n!PM1_NH4 ,ug m-3 ,ANH4I[1] *FPM1AIT[3]+ANH4J[1]*FPM1ACC[3] +ANH4K[1]*FPM1COR[3]\n!PM1_NO3 ,ug m-3 ,ANO3I[1] *FPM1AIT[3]+ANO3J[1]*FPM1ACC[3] +ANO3K[1]*FPM1COR[3] \n!PM1_SOIL ,ug m-3 ,ASOILJ[0]*FPM1ACC[3]+(ASOIL[1]+ACORS[1])*FPM1COR[3]\n!PM1_UNSPEC1 ,ug m-3 ,PM1_TOT[0] - (PM1_CL[0] + PM1_EC[0]+ PM1_NA[0] + PM1_NH4[0] + \\\n! PM1_NO3[0]+ PM1_OC[0]+ PM1_SOIL[0]+ PM1_SO4[0] ) \n!PM1_UNSPCRS ,ug m-3 ,ATOTK[0] *FPM1COR[3] - (ASO4K[1]*FPM1COR[3] \\\n! +ACLK[1]*FPM1COR[3] \\\n! +ANAK[0]*FPM1COR[3] \\\n! +AMGK[0]*FPM1COR[3] \\\n! +AKK[0]*FPM1COR[3] \\\n! +ACAK[0]*FPM1COR[3] \\\n! +ANH4K[1]*FPM1COR[3] \\\n! +ANO3K[1]*FPM1COR[3]) \n \n!! PM2.5 species computed using modeled size distribution\nPM25_HP ,ug m-3 ,(AH3OPI[1]*FPM25AIT[3]+AH3OPJ[1]*FPM25ACC[3]+AH3OPK[1]*FPM25COR[3])*1.0/19.0\nPM25_CL ,ug m-3 ,ACLI[1]*FPM25AIT[3]+ACLJ[1]*FPM25ACC[3]+ACLK[1]*FPM25COR[3]\nPM25_EC ,ug m-3 ,AECI[1]*FPM25AIT[3]+AECJ[1]*FPM25ACC[3]\nPM25_NA ,ug m-3 ,ANAI[1]*FPM25AIT[3]+ANAJ[1]*FPM25ACC[3]+ANAK[0]*FPM25COR[3]\nPM25_MG ,ug m-3 , AMGJ[1]*FPM25ACC[3]+AMGK[0]*FPM25COR[3]\nPM25_K ,ug m-3 , AKJ[1] *FPM25ACC[3]+AKK[0] *FPM25COR[3]\nPM25_CA ,ug m-3 , ACAJ[1]*FPM25ACC[3]+ACAK[0]*FPM25COR[3]\nPM25_NH4 ,ug m-3 ,ANH4I[1]*FPM25AIT[3]+ANH4J[1]*FPM25ACC[3]+ANH4K[1]*FPM25COR[3]\nPM25_NO3 ,ug m-3 ,ANO3I[1]*FPM25AIT[3]+ANO3J[1]*FPM25ACC[3]+ANO3K[1]*FPM25COR[3]\nPM25_OC ,ugC m-3 ,AOCI[0] *FPM25AIT[3]+AOCJ[0]*FPM25ACC[3]\nPM25_OM ,ug m-3 ,AOMI[0] *FPM25AIT[3]+AOMJ[0]*FPM25ACC[3]\nPM25_SOIL ,ug m-3 ,ASOILJ[0]*FPM25ACC[3]+ASOIL[1]*FPM25COR[3]\nPM25_SO4 ,ug m-3 ,ASO4I[1]*FPM25AIT[3]+ASO4J[1]*FPM25ACC[3]+ASO4K[1]*FPM25COR[3]\nPM25_TOT ,ug m-3 ,ATOTI[0]*FPM25AIT[3]+ATOTJ[0]*FPM25ACC[3]+ATOTK[0]*FPM25COR[3]\nPM25_UNSPEC1 ,ug m-3 ,PM25_TOT[0]-(PM25_CL[0]+PM25_EC[0]+PM25_NA[0]+PM25_NH4[0] \\\n +PM25_NO3[0]+PM25_OC[0]+PM25_SOIL[0]+PM25_SO4[0])\nPM25_UNSPCRS ,ug m-3 ,ATOTK[0]*FPM25COR[3] - (ASO4K[1]*FPM25COR[3] \\\n +ACLK[1]*FPM25COR[3] \\\n +ANAK[0]*FPM25COR[3] \\\n +AMGK[0]*FPM25COR[3] \\\n +AKK[0]*FPM25COR[3] \\\n +ACAK[0]*FPM25COR[3] \\\n +ANH4K[1]*FPM25COR[3] \\\n +ANO3K[1]*FPM25COR[3]) \n\n\n!! Fine particle acidity (pH). pH is undefined if there is no aerosol water. \n!Do not trust predictions when hourly water is <0.01 ug m-3. FINEPHF will \n!have large negative value (-9.999E36) when pH is not to be trusted.\n!AH2OIJ ,ug m-3 ,AH2OI[1]+AH2OJ[1]\n!HPMOLAL ,mol kg-1 ,AHPLUSIJ[0]/AH2OIJ[0]*1000.0\n!ACIDITYTEMP , ,-1*LOG10(HPMOLAL[0])\n!FINEPHF , ,AH2OIJ[0]>0.01 ? ACIDITYTEMP[0] : -9.999E36\n\n!! PM10.0 and Coarse-Sized Species\nPM10 ,ug m-3 ,ATOTI[0]*FPM10AIT[3]+ATOTJ[0]*FPM10ACC[3]+ATOTK[0]*FPM10COR[3]\n\nPMC_CL ,ug m-3 ,ACLI[1]*FPM10AIT[3] +ACLJ[1]*FPM10ACC[3] +ACLK[1]*FPM10COR[3] -PM25_CL[0]\nPMC_NA ,ug m-3 ,ANAI[1]*FPM10AIT[3] +ANAJ[1]*FPM10ACC[3] +ANAK[0]*FPM10COR[3] -PM25_NA[0]\nPMC_NH4 ,ug m-3 ,ANH4I[1]*FPM10AIT[3]+ANH4J[1]*FPM10ACC[3]+ANH4K[1]*FPM10COR[3]-PM25_NH4[0]\nPMC_NO3 ,ug m-3 ,ANO3I[1]*FPM10AIT[3]+ANO3J[1]*FPM10ACC[3]+ANO3K[1]*FPM10COR[3]-PM25_NO3[0]\nPMC_SO4 ,ug m-3 ,ASO4I[1]*FPM10AIT[3]+ASO4J[1]*FPM10ACC[3]+ASO4K[1]*FPM10COR[3]-PM25_SO4[0]\nPMC_TOT ,ug m-3 ,PM10[0]-PM25_TOT[0]\n\n!! FRM PM Equivalent Calculation\n!! This section calculates the FRM applicable PM species, PMIJ_FRM and\n!! PM25_FRM. The intermediate variablse K...ANH4IJ_loss are needed to \n!! calculate the final quantities.\nK ,ppb2 ,exp(118.87-24084/TEMP2[4]-6.025*log(TEMP2[4]))\nP1 , ,exp(8763/TEMP2[4]+19.12*log(TEMP2[4])-135.94)\nP2 , ,exp(9969/TEMP2[4]+16.22*log(TEMP2[4])-122.65)\nP3 , ,exp(13875/TEMP2[4]+24.46*log(TEMP2[4])-182.61)\na , ,1-RH[0]/100\nK_prime ,ppb2 ,(P1[0]-P2[0]*a[0]+(P3[0]*a[0]*a[0]))*(a[0]^1.75)*K[0]\nsqrt_Ki ,ppb ,sqrt(RH[0]<=61 ? K[0] : K_prime[0])\nmax_NO3_loss ,ug m-3 ,745.7/TEMP2[4]*sqrt_Ki[0]\nPM25_NO3_loss ,ug m-3 ,max_NO3_loss[0]<=PM25_NO3[0] ? max_NO3_loss[0] : PM25_NO3[0]\nANO3IJ_loss ,ug m-3 ,max_NO3_loss[0]<=ANO3IJ[0] ? max_NO3_loss[0] : ANO3IJ[0]\nPM25_NH4_loss ,ug m-3 ,PM25_NO3_loss[0]*(18/62)\nANH4IJ_loss ,ug m-3 ,ANO3IJ_loss[0]*(18/62)\nPMIJ_FRM ,ug m-3 ,ATOTIJ[0]-(ANO3IJ_loss[0]+ANH4IJ_loss[0]) \\\n +0.24*(ASO4IJ[0]+ANH4IJ[0]-ANH4IJ_loss[0])+0.5\nPM25_FRM ,ug m-3 ,PM25_TOT[0]-(PM25_NO3_loss[0]+PM25_NH4_loss[0]) \\\n +0.24*(PM25_SO4[0]+PM25_NH4[0]-PM25_NH4_loss[0])+0.5\n" }, { "path": "CCTM/src/MECHS/cb6r5m_ae7_aq/SpecDef_Dep_cb6r5m_ae7_aq.txt", "content": "!#start YYYYJJJ\n!#end YYYYJJJ\n#layer 1\n\n/ File [1]: DRYDEP\n/ File [2]: WETDEP\n/ File [3]: METCRO2D\n/\n/new species ,units ,expression\n\nRT ,cm ,RC[3]>=0 ? RN[3]+RC[3] : RN[3]\n\n!---------------------------------------------------!\n!--------------- Gas Deposition --------------------!\n!---------------------------------------------------!\nDDEP_NO2 ,kg ha-1 ,NO2[1]\nWDEP_NO2 ,kg ha-1 ,NO2[2]\nDDEP_NO ,kg ha-1 ,NO[1]\nWDEP_NO ,kg ha-1 ,NO[2]\nDDEP_FORM\t ,kg ha-1 ,FORM[1]\nWDEP_FORM\t ,kg ha-1 ,FORM[2]\nDDEP_H2O2\t ,kg ha-1 ,H2O2[1]\nWDEP_H2O2 ,kg ha-1 ,H2O2[2]\nDDEP_N2O5 ,kg ha-1 ,N2O5[1]\nWDEP_N2O5 ,kg ha-1 ,N2O5[2]\nDDEP_HONO ,kg ha-1 ,HONO[1]\nWDEP_HONO ,kg ha-1 ,HONO[2]\nDDEP_HNO3 ,kg ha-1 ,HNO3[1]\nWDEP_HNO3 ,kg ha-1 ,HNO3[2]\nDDEP_NO3 ,kg ha-1 ,NO3[1]\nWDEP_NO3 ,kg ha-1 ,NO3[2]\nDDEP_CLNO2 ,kg ha-1 ,CLNO2[1]\nWDEP_CLNO2 ,kg ha-1 ,CLNO2[2]\nDDEP_CLNO3 ,kg ha-1 ,CLNO3[1]\nWDEP_CLNO3 ,kg ha-1 ,CLNO3[2]\nDDEP_NTR ,kg ha-1 ,NTR1[1]+NTR2[1]+INTR[1]\nWDEP_NTR ,kg ha-1 ,NTR1[2]+NTR2[2]+INTR[2]\nDDEP_PANT ,kg ha-1 ,PAN[1] + PANX[1] + OPAN[1]\nWDEP_PANT ,kg ha-1 ,PAN[2] + PANX[2] + OPAN[2]\nDDEP_NH3 ,kg ha-1 ,NH3[1]\nWDEP_NH3 ,kg ha-1 ,NH3[2]\nDDEP_SO2 ,kg ha-1 ,SO2[1]\nDDEP_O3 ,kg ha-1 ,O3[1]\nWDEP_O3 ,kg ha-1 ,O3[2]\nWDEP_PNA ,kg ha-1 ,PNA[2] \nDDEP_PNA ,kg ha-1 ,PNA[1] \n\n!---------------------------------------------------!\n!------------- Aerosol Deposition ------------------!\n!---------------------------------------------------!\nDDEP_ANO3IJ ,kg ha-1 ,ANO3I[1] + ANO3J[1]\nDDEP_ANO3K ,kg ha-1 ,ANO3K[1]\nWDEP_ANO3IJK ,kg ha-1 ,ANO3I[2] + ANO3J[2] + ANO3K[2]\nDDEP_TNO3 ,kg ha-1 ,ANO3I[1] + ANO3J[1] + ANO3K[1] + 0.984*HNO3[1] + NO3[1]\nWDEP_TNO3 ,kg ha-1 ,ANO3I[2] + ANO3J[2] + ANO3K[2] + 0.984*HNO3[2] + NO3[2]\nDDEP_ANH4IJ ,kg ha-1 ,ANH4I[1] + ANH4J[1]\nDDEP_ANH4K ,kg ha-1 ,ANH4K[1]\nWDEP_ANH4IJK ,kg ha-1 ,ANH4I[2] + ANH4J[2] + ANH4K[2]\nDDEP_AMTNO3J ,kg ha-1 ,AMTNO3J[1]\nWDEP_AMTNO3J ,kg ha-1 ,AMTNO3J[2]\nDDEP_ASO4IJ ,kg ha-1 ,ASO4I[1] + ASO4J[1]\nDDEP_ASO4K ,kg ha-1 ,ASO4K[1]\nWDEP_ASO4IJK ,kg ha-1 ,ASO4I[2] + ASO4J[2] + ASO4K[2]\nDDEP_AECIJ\t ,kg ha-1 ,AECI[1] +AECJ[1]\nDDEP_AOCIJ ,kgC ha-1 ,ALVPO1I[1]/1.39 + ASVPO1I[1]/1.32 + ASVPO2I[1]/1.26 \\\n +ALVPO1J[1]/1.39 + ASVPO1J[1]/1.32 + ASVPO2J[1]/1.26 \\\n +ASVPO3J[1]/1.21 + AIVPO1J[1]/1.17 \\\n +ALVOO1I[1]/2.27 + ALVOO2I[1]/2.06 \\\n +ASVOO1I[1]/1.88 + ASVOO2I[1]/1.73 \\\n +AISO1J[1]/2.20 + AISO2J[1]/2.23 + AISO3J[1]/2.80 \\\n +AMT1J[1]/1.67 + AMT2J[1]/1.67 + AMT3J[1]/1.72 \\\n +AMT4J[1]/1.53 + AMT5J[1]/1.57 + AMT6J[1]/1.40 \\\n +AMTNO3J[1]/1.90 + AMTHYDJ[1]/1.54 \\\n +AGLYJ[1]/2.13 + ASQTJ[1]/1.52 \\\n +AORGCJ[1]/2.00 + AOLGBJ[1]/2.10 + AOLGAJ[1]/2.50 \\\n +ALVOO1J[1]/2.27+ ALVOO2J[1]/2.06+ ASVOO1J[1]/1.88 \\\n +ASVOO2J[1]/1.73+ ASVOO3J[1]/1.60 \\\n +APCSOJ[1] /2.00+ AAVB1J[1]/2.70 + AAVB2J[1]/2.35 \\\n +AAVB3J[1]/2.17 + AAVB4J[1]/1.99 \n\n!DDEP_SSSO4J ,kg ha-1 ,0.2514*ANAJ[1]\n!DDEP_SSSO4K ,kg ha-1 ,0.2514*DDEP_ANAK[0]\n!WDEP_SSSO4JK ,kg ha-1 ,0.2514*ANAJ[2] + 0.2514*WDEP_ANAK[0]\n\n\n!-----------------------------------------------------!\n!-------- Total (Gas + Aerosol) Deposition -----------!\n!-----------------------------------------------------!\nDDEP_NHX ,kg ha-1 ,ANH4I[1] + ANH4J[1] + ANH4K[1] + 1.059*NH3[1]\nWDEP_NHX ,kg ha-1 ,ANH4I[2] + ANH4J[2] + ANH4K[2] + 1.059*NH3[2]\nWDEP_TSO4 ,kg ha-1 ,ASO4I[2] + ASO4J[2] + ASO4K[2] + 1.5*SO2[2]\n\n!! Sodium\nDDEP_ANAJ ,kg ha-1 ,ANAJ[1]\nDDEP_ANAK ,kg ha-1 ,0.8373*ASEACAT[1]+0.0626*ASOIL[1]+0.0023*ACORS[1]\nDDEP_ANAJK ,kg ha-1 ,DDEP_ANAJ[0] + DDEP_ANAK[0]\nWDEP_ANAK ,kg ha-1 ,0.8373*ASEACAT[2]+0.0626*ASOIL[2]+0.0023*ACORS[2]\nWDEP_ANAJK ,kg ha-1 ,ANAJ[2] + WDEP_ANAK[0]\nTDEP_ANAJK ,kg ha-1 ,DDEP_ANAJK[0] + WDEP_ANAJK[0]\n\n!! Chloride\nDDEP_ACLJ ,kg ha-1 ,ACLJ[1]\nDDEP_ACLK ,kg ha-1 ,ACLK[1]\nDDEP_ACLJK ,kg ha-1 ,ACLJ[1] + ACLK[1]\nWDEP_TCL ,kg ha-1 ,0.972*HCL[2]+CL2[2] + ACLJ[2] + ACLK[2] + 0.6758*HOCL[1]\nTDEP_CL ,kg ha-1 ,DDEP_ACLJK[0] + WDEP_TCL[0]\n\n!! Calcium\nDDEP_CAJ\t ,kg ha-1 ,ACAJ[1]\nWDEP_CAJ\t ,kg ha-1 ,ACAJ[2]\nDDEP_CAK ,kg ha-1 ,0.0320*ASEACAT[1]+0.0838*ASOIL[1]+0.0562*ACORS[1]\nWDEP_CAK ,kg ha-1 ,0.0320*ASEACAT[2]+0.0838*ASOIL[2]+0.0562*ACORS[2]\nDDEP_CAJK\t ,kg ha-1 ,ACAJ[1]+DDEP_CAK[0]\nWDEP_CAJK\t ,kg ha-1 ,ACAJ[2]+WDEP_CAK[0]\n\n!! Iron\nDDEP_FEJ\t ,kg ha-1 ,AFEJ[1]\nWDEP_FEJ\t ,kg ha-1 ,AFEJ[2]\n\n!! Aluminum\nDDEP_ALJ\t ,kg ha-1 ,AALJ[1]\nWDEP_ALJ ,kg ha-1 ,AALJ[2]\n\n!! Silicon\nDDEP_SIJ ,kg ha-1 ,ASIJ[1]\nWDEP_SIJ ,kg ha-1 ,ASIJ[2]\n\n!! Titanium\nDDEP_TIJ ,kg ha-1 ,ATIJ[1]\nWDEP_TIJ ,kg ha-1 ,ATIJ[2]\n\n!! Magnesium\nDDEP_MGJ ,kg ha-1 ,AMGJ[1]\nWDEP_MGJ ,kg ha-1 ,AMGJ[2]\nDDEP_MGK ,kg ha-1 ,0.0997*ASEACAT[1]+0.0170*ASOIL[1]+0.0032*ACORS[1]\nWDEP_MGK ,kg ha-1 ,0.0997*ASEACAT[2]+0.0170*ASOIL[2]+0.0032*ACORS[2]\nDDEP_MGJK ,kg ha-1 ,AMGJ[1]+DDEP_MGK[0]\nWDEP_MGJK ,kg ha-1 ,AMGJ[2]+WDEP_MGK[0]\n\n!! Potassium\nDDEP_KJ ,kg ha-1 ,AKJ[1]\nWDEP_KJ ,kg ha-1 ,AKJ[2]\nDDEP_KK ,kg ha-1 ,0.0310*ASEACAT[1]+0.0242*ASOIL[1]+0.0176*ACORS[1]\nWDEP_KK ,kg ha-1 ,0.0310*ASEACAT[2]+0.0242*ASOIL[2]+0.0176*ACORS[2]\nDDEP_KJK ,kg ha-1 ,AKJ[1]+DDEP_KK[0]\nWDEP_KJK ,kg ha-1 ,AKJ[2]+WDEP_KK[0]\n\n!! Manganese\nDDEP_MNJ ,kg ha-1 ,AMNJ[1]\nWDEP_MNJ ,kg ha-1 ,AMNJ[2]\n\n\n!---------------------------------------------------!\n!------------- Nitrogen Deposition -----------------!\n!---------------------------------------------------!\nDD_OXN_NOX ,kgN ha-1 ,0.30435*NO2[1] + 0.46667*NO[1]\nWD_OXN_NOX ,kgN ha-1 ,0.30435*NO2[2] + 0.46667*NO[2]\nDD_OXN_TNO3 ,kgN ha-1 ,0.22581*DDEP_TNO3[0]\nWD_OXN_TNO3 ,kgN ha-1 ,0.22581*WDEP_TNO3[0]\nDD_OXN_PANT ,kgN ha-1 ,0.11570*PAN[1] + 0.11570*PANX[1] + 0.11570*OPAN[1]\nWD_OXN_PANT ,kgN ha-1 ,0.11570*PAN[2] + 0.11570*PANX[2] + 0.11570*OPAN[2]\nDD_OXN_ORGN ,kgN ha-1 ,0.10770*(NTR1[1]+NTR2[1]+INTR[1])+0.06061*DDEP_AMTNO3J[0]+DD_OXN_PANT[0]\nWD_OXN_ORGN ,kgN ha-1 ,0.10770*(NTR1[2]+NTR2[2]+INTR[2])+0.06061*WDEP_AMTNO3J[0]+WD_OXN_PANT[0]\nDD_OXN_OTHR ,kgN ha-1 ,0.25926*N2O5[1] + 0.29787*HONO[1]+0.17720*PNA[1]+0.1717*CLNO2[1]+0.1436*CLNO3[1]\nWD_OXN_OTHR ,kgN ha-1 ,0.25926*N2O5[2] + 0.29787*HONO[2]+0.17720*PNA[2]+0.1717*CLNO2[2]+0.1436*CLNO3[2]\nDD_OXN_TOT ,kgN ha-1 ,DD_OXN_NOX[0] + DD_OXN_TNO3[0] + DD_OXN_ORGN[0] + DD_OXN_OTHR[0]\nWD_OXN_TOT ,kgN ha-1 ,WD_OXN_NOX[0] + WD_OXN_TNO3[0] + WD_OXN_ORGN[0] + WD_OXN_OTHR[0]\n\nTD_OXN_TOT ,kgN ha-1 ,DD_OXN_TOT[0] + WD_OXN_TOT[0]\nDD_REDN_TOT ,kgN ha-1 ,0.7777*DDEP_NHX[0]\nWD_REDN_TOT ,kgN ha-1 ,0.7777*WDEP_NHX[0]\nTD_REDN_TOT ,kgN ha-1 ,DD_REDN_TOT[0] + WD_REDN_TOT[0]\n\nDD_N_TOT ,kgN ha-1 ,DD_OXN_TOT[0] + DD_REDN_TOT[0]\nWD_N_TOT ,kgN ha-1 ,WD_OXN_TOT[0] + WD_REDN_TOT[0]\nTD_N_TOT ,kgN ha-1 ,DD_N_TOT[0] + WD_N_TOT[0]\n\n!! Nitrogen Deposition in milliequivalents Nitrogen\n!DD_OXN_TOTMEQ ,meqN m-2 ,7.14*DD_OXN_TOT[0]\n!WD_OXN_TOTMEQ ,meqN m-2 ,7.14*WD_OXN_TOT[0]\n!TD_OXN_TOTMEQ ,meqN m-2 ,DD_OXN_TOTMEQ[0] + WD_OXN_TOTMEQ[0]\n!DD_REDN_TOTMEQ ,meqN m-2 ,7.14*DD_REDN_TOT[0]\n!WD_REDN_TOTMEQ ,meqN m-2 ,7.14*WD_REDN_TOT[0]\n!TD_REDN_TOTMEQ ,meqN m-2 ,DD_REDN_TOTMEQ[0] + WD_REDN_TOTMEQ[0]\n!DD_N_TOTMEQ ,meqN m-2 ,DD_OXN_TOTMEQ[0] + DD_REDN_TOTMEQ[0]\n!WD_N_TOTMEQ ,meqN m-2 ,WD_OXN_TOTMEQ[0] + WD_REDN_TOTMEQ[0]\n!TD_N_TOTMEQ ,meqN m-2 ,DD_N_TOTMEQ[0] + WD_N_TOTMEQ[0]\n\n!-------------------------------------------------!\n!------------- Sulfur Deposition -----------------!\n!-------------------------------------------------!\nDD_S_TOT ,kgS ha-1 ,0.5*SO2[1] + 0.33333*ASO4I[1] + 0.33333*ASO4J[1] + 0.33333*ASO4K[1]\nWD_S_TOT ,kgS ha-1 ,0.33333*WDEP_TSO4[0]\nTD_S_TOT ,kgS ha-1 ,DD_S_TOT[0] + WD_S_TOT[0]\n!DD_S_SeaS ,kgS ha-1 ,0.33333*DDEP_SSSO4J[0] + 0.33333*DDEP_SSSO4K[0]\n!WD_S_SeaS ,kgS ha-1 ,0.33333*WDEP_SSSO4JK[0]\n!TD_S_SeaS ,kgS ha-1 ,DD_S_SeaS[0] + WD_S_SeaS[0]\n\n!! Sulfur Deposition in milliequivalents Sulfur\n!DD_S_TOTMEQ ,meqS m-2 ,6.24*DD_S_TOT[0]\n!WD_S_TOTMEQ ,meqS m-2 ,6.24*WD_S_TOT[0]\n!TD_S_TOTMEQ ,meqS m-2 ,DD_S_TOTMEQ[0] + WD_S_TOTMEQ[0]\n!DD_S_SeaSMEQ ,meqS m-2 ,6.24*DD_S_SeaS[0]\n!WD_S_SeaSMEQ ,meqS m-2 ,6.24*WD_S_SeaS[0]\n!TD_S_SeaSMEQ ,meqS m-2 ,DD_S_SeaSMEQ[0] + WD_S_SeaSMEQ[0]\n" }, { "path": "CCTM/src/MECHS/cb6r5m_ae7_aq/SpecDef_cb6r5m_ae7_aq.txt", "content": "!#start YYYYJJJ 010000\n!#end YYYYJJJ 000000\n#layer 1\n\n/\n! This Species Definition File is for Use with the COMBINE tool built for \n! post-processing CMAQ output. It is compatible with CMAQv5.2.\n! Date: May 12 2017\n\n! Output variables that begin with 'PM' represent those in which a size cut was \n! applied based on modeled aerosol mode parameters. For example, PM25_NA is all \n! sodium that falls below 2.5 um diameter. These 'PM' variables are used for \n! comparisons at IMPROVE and CSN sites.\n\n! Output variables that begin with 'PMAMS' represent the mass that would have\n! been detected by an Aerosol Mass Spectrometer.\n\n! Output variables beginning with 'A' (aside from AIR_DENS) represent a \n! combination of aerosol species in which no size cut was applied. For example, \n! ASO4IJ is the sum of i-mode and j-mode sulfate. These 'A' variables are used \n! for comparisons at CASTNet sites.\n\n! Output variables beginning with 'PMC' refer to the coarse fraction of total PM,\n! computed by summing all modes and subtracting the PM2.5 fraction. These 'PMC'\n! variables are used for comparisons at SEARCH sites.\n\n! This Species Definition File is just for use with the uncoupled, offline CMAQ,\n! model. If you are processing WRF-CMAQ results, a different Species Definition\n! file is required.\n\n/ File [1]: CMAQ conc/aconc file\n/ File [2]: METCRO3D file\n/ File [3]: ELMO/AELMO file\n/ File [4]: METCRO2D file\n/\n/new species ,units ,expression\n \n!-------------------------------------------!\n!------------- Meteorology -----------------!\n!-------------------------------------------!\nAIR_DENS ,kg m-3 ,DENS[2]\nRH ,% ,100.00*RH[3]\nSFC_TMP ,C ,(TEMP2[4]-273.15)\nPBLH ,m ,PBL[4]\nSOL_RAD ,W m-2 ,RGRND[4]\nprecip ,cm ,RC[4]>=0 ? RN[4]+RC[4] : RN[4]\nWSPD10 ,m s-1 ,WSPD10[4]\nWDIR10 ,deg ,WDIR10[4]\n\n!-------------------------------------------!\n!--------------- Gases ---------------------!\n!-------------------------------------------!\nALD2 ,ppbV ,1000.0*ALD2[1]\nBENZENE ,ppbV ,1000.0*BENZENE[1]\nCO ,ppbV ,1000.0*CO[1]\nETH ,ppbV ,1000.0*ETH[1]\nETHA ,ppbV ,1000.0*ETHA[1]\nFORM ,ppbV ,1000.0*FORM[1]\nH2O2 ,ppbV ,1000.0*H2O2[1]\nHNO3 ,ppbV ,1000.0*HNO3[1]\nHNO3_UGM3 ,ug m-3 ,1000.0*(HNO3[1]*2.1756*DENS[2])\nHONO ,ppbV ,1000.0*HONO[1]\nHOX ,ppbV ,1000.0*(OH[1]+HO2[1])\nOH ,ppbV ,1000.0*(OH[1])\nISOP ,ppbV ,1000.0*ISOP[1]\nN2O5 ,ppbV ,1000.0*N2O5[1]\nNH3 ,ppbV ,1000.0*NH3[1]\nNH3_UGM3 ,ug m-3 ,1000.0*(NH3[1]*0.5880*DENS[2])\nNHX ,ug m-3 ,1000.0*(NH3[1]*0.5880*DENS[2])+ANH4I[1]+ANH4J[1]+ANH4K[1]\nNO ,ppbV ,1000.0*NO[1]\nNO2 ,ppbV ,1000.0*NO2[1]\nNOX ,ppbV ,1000.0*(NO[1] + NO2[1])\nANO3_PPB ,ppbV ,(ANO3I[1]+ANO3J[1]+ANO3K[1])/(DENS[2]*(62.0/28.97))\nNTR ,ppbV ,1000.0*(NTR1[1]+NTR2[1]+INTR[1])\nPANS ,ppbV ,1000.0*(PAN[1]+PANX[1]+OPAN[1])\nNOY ,ppbV ,1000.0* (NO[1]+NO2[1]+NO3[1]+2*N2O5[1]+HONO[1]+HNO3[1]+PNA[1] \\\n +CRON[1]+CLNO2[1]+CLNO3[1] \\\n +BRNO2[1]+BRNO3[1]+INO[1]+INO2[1]+INO3[1]) \\ \n +PANS[0]+NTR[0]+ANO3_PPB[0]\nO3 ,ppbV ,1000.0*O3[1]\nSO2 ,ppbV ,1000.0*SO2[1]\nSO2_UGM3 ,ug m-3 ,1000.0*(SO2[1]*2.2118*DENS[2])\nTERP ,ppbV ,1000.0*TERP[1]\nTOL ,ppbV ,1000.0*TOL[1]\nXYL ,ppbV ,1000.0*XYLMN[1]\n\n!Additional Toxic gases\n!ACROLEIN ,ug m-3 ,1000.0*(ACROLEIN[1]*1.9365*DENS[2])\n!ACRO_PRIMARY ,ug m-3 ,1000.0*(ACRO_PRIMARY*1.9365*DENS[2])\n!ALD2_PRIMARY ,ug m-3 ,1000.0*(ALD2_PRIMARY[1]*1.5188*DENS[2])\n!FORM_PRIMARY ,ug m-3 ,1000.0*(FORM_PRIMARY[1]*1.0356*DENS[2])\n!BUTADIENE13 ,ug m-3 ,1000.0*(BUTADIENE13[1]*1.8674*DENS[2])\n!HCL ,ppbV ,1000.0*HCL[1]\n!TOLUENE ,ppbV ,1000.0*TOLU[1]\n\n!Mercuric gas species\n!HG_0 ,ng/m3 ,1000.0*(HG[1]*8.3330*DENS[2]*1000.0) \n!HG_II ,ng/m3 ,1000.0*(HGIIGAS[1]*8.3330*DENS[2]*1000.0) \n\n!! Unused Gases. Presented Here for illustration. Users can uncomment\n!! them if they choose.\n!ALDX ,ppbV ,1000.0*ALDX[1]\n!IOLE ,ppbV ,1000.0*IOLE[1]\n!OLE ,ppbV ,1000.0*OLE[1]\n!PAR ,ppbV ,1000.0*PAR[1]\n!PAN ,ppbV ,1000.0*PAN[1]\n!SULF ,ppbV ,1000.0*SULF[1]\n! emitted VOCs\n!VOC ,ppbC ,1000.0* (PAR[1] +2.0*ETHA[1] +3.0*PRPA[1] +MEOH[1]\\\n! +2.0*ETH[1] +2.0*ETOH[1] +2.0*OLE[1] +3.0*ACET[1] \\\n! +7.0*TOL[1] +8.0*XYLMN[1] +6.0*BENZENE[1] \\\n! +FORM[1] +3.0*GLY[1] +4.0*KET[1] +2.0*ETHY[1] \\\n! +2.0*ALD2[1] + 2.0*ETHA[1] + 4.0*IOLE[1] + 2.0*ALDX[1] \\\n! +5.0*ISOP[1] + 10.0*TERP[1]+ 10.0*NAPH[1] +10.*APIN[1])\n\n!! DMS and MSA. Users can uncomment them if they choose.\nDMS ,ppbV ,1000.0*DMS[1]\nMSA ,ppbV ,1000.0*MSA[1]\n\n!-------------------------------------------!\n!--------------- Particles -----------------!\n!-------------------------------------------!\n!! Crustal Elements\nAFEJ ,ug m-3 ,PMF_FE[3]\nAALJ ,ug m-3 ,PMF_AL[3]\nASIJ ,ug m-3 ,PMF_SI[3]\nATIJ ,ug m-3 ,PMF_TI[3]\nACAJ ,ug m-3 ,PMF_CA[3]\nAMGJ ,ug m-3 ,PMF_MG[3]\nAKJ ,ug m-3 ,PMF_K[3]\nAMNJ ,ug m-3 ,PMF_MN[3]\nASOILJ ,ug m-3 ,PMF_SOILIMPV[3]\n\n!! Non-Crustal Inorganic Particle Species\nAHPLUSIJ ,umol m-3 ,PMF_HP[3]\nANAK ,ug m-3 ,PMC_NA[3]\nAMGK ,ug m-3 ,PMC_MG[3]\nAKK ,ug m-3 ,PMC_K[3]\nACAK ,ug m-3 ,PMC_CA[3]\nACLIJ ,ug m-3 ,PMF_CL[3]\nAECIJ ,ug m-3 ,PMF_EC[3]\nANAIJ ,ug m-3 ,PMF_NA[3]\nANO3IJ ,ug m-3 ,PMF_NO3[3]\nANO3K ,ug m-3 ,PMC_NO3[3]\nTNO3 ,ug m-3 ,TNO3[3]\nANH4IJ ,ug m-3 ,PMF_NH4[3]\nANH4K ,ug m-3 ,PMC_NH4[3]\nASO4IJ ,ug m-3 ,PMF_SO4[3]\nASO4K ,ug m-3 ,PMC_SO4[3]\n\n!! Organic Particle Species\nAPOCIJ ,ugC m-3 ,PMF_POC[3]\nAPOMIJ ,ug m-3 ,PMF_POA[3]\nASOCIJ ,ugC m-3 ,PMF_SOC[3]\nASOMIJ ,ug m-3 ,PMF_SOA[3]\nAOCIJ ,ugC m-3 ,PMF_OC[3]\nAOMIJ ,ug m-3 ,PMF_OA[3]\n\n!!! Anthropogenic-VOC Derived Organic Aerosol\nAORGAIJ ,ug m-3 ,PMF_ASOA[3]\n\n!!! Biogenic-VOC Derived Organic Aerosol\nAORGBIJ ,ug m-3 ,PMF_BSOA[3]\n\n!!! Cloud-Processed SOA\nAORGCJ ,ug m-3 ,AORGCJ[1]\n\n!!! OM/OC ratios\nAOMOCRAT_TOT , ,PMF_OMOC[3]\n\n!! Total PM Aggregates\nATOTI ,ug m-3 ,PMAIT_MASS[3]\nATOTJ ,ug m-3 ,PMACC_MASS[3]\nATOTK ,ug m-3 ,PMC_MASS[3]\nATOTIJ ,ug m-3 ,PMF_MASS[3]\nATOTIJK ,ug m-3 ,PM_MASS[3]\n\n!! Unspeciated PM including non-carbon organic mass\nAUNSPEC1IJ ,ug m-3 ,PMF_UN_IMPV1[3]\n!! Non-Carbon Organic Mass\nANCOMIJ ,ug m-3 ,PMF_NCOM[3]\n\n!! Unspeciated PM excluding non-carbon organic mass\nAUNSPEC2IJ ,ug m-3 ,PMF_UN_IMPV2[3]\n\n!! AMS Projection of Output Concentrations\nPMAMS_CL ,ug m-3 ,PMAMS_CL[3]\nPMAMS_NH4 ,ug m-3 ,PMAMS_NH4[3]\nPMAMS_NO3 ,ug m-3 ,PMAMS_NO3[3]\nPMAMS_OA ,ug m-3 ,PMAMS_OA[3]\nPMAMS_SO4 ,ug m-3 ,PMAMS_SO4[3]\n\n!! PM1 Cutoff Output\nPM1_TOT ,ug m-3 ,PM1[3]\n\n!! Unused PM1 Species. Included Here for demonstration\n!PM1_EC ,ug m-3 ,PM1_EC[3]\n!PM1_OC ,ugC m-3 ,PM1_OC[3]\n!PM1_OM ,ug m-3 ,PM1_OA[3]\n!PM1_SO4 ,ug m-3 ,PM1_SO4[3]\n!PM1_CL ,ug m-3 ,PM1_CL[3]\n!PM1_NA ,ug m-3 ,PM1_NA[3]\n!PM1_MG ,ug m-3 ,PM1_MG[3]\n!PM1_K ,ug m-3 ,PM1_K[3]\n!PM1_CA ,ug m-3 ,PM1_CA[3]\n!PM1_NH4 ,ug m-3 ,PM1_NH4[3]\n!PM1_NO3 ,ug m-3 ,PM1_NO3[3]\n!PM1_SOIL ,ug m-3 ,PM1_SOIL[3]\n!PM1_UNSPEC1 ,ug m-3 ,PM1_UNSP1[3]\n!PM1_UNSPCRS ,ug m-3 ,PM1_UNSPCRS[3]\n\n!! PM2.5 species computed using modeled size distribution\nPM25_HP ,ug m-3 ,PM25_HP[3]\nPM25_CL ,ug m-3 ,PM25_CL[3] \nPM25_EC ,ug m-3 ,PM25_EC[3] \nPM25_NA ,ug m-3 ,PM25_NA[3] \nPM25_MG ,ug m-3 ,PM25_MG[3] \nPM25_K ,ug m-3 ,PM25_K[3] \nPM25_CA ,ug m-3 ,PM25_CA[3] \nPM25_NH4 ,ug m-3 ,PM25_NH4[3] \nPM25_NO3 ,ug m-3 ,PM25_NO3[3] \nPM25_OC ,ugC m-3 ,PM25_OC[3] \nPM25_OM ,ug m-3 ,PM25_OA[3] \nPM25_SOIL ,ug m-3 ,PM25_SOIL[3] \nPM25_SO4 ,ug m-3 ,PM25_SO4[3] \nPM25_TOT ,ug m-3 ,PM25[3] \nPM25_UNSPEC1 ,ug m-3 ,PM25_UNSP1[3] \nPM25_UNSPCRS ,ug m-3 ,PM25_UNSPCRS[3] \n \n\n!! Fine particle acidity (pH). pH is undefined if there is no aerosol water.\n!Do not trust predictions when hourly water is <0.01 ug m-3. FINEPHF will\n!have large negative value (-9.999E36) when pH is not to be trusted.\n!AH2OIJ ,ug m-3 ,AH2OI[1]+AH2OJ[1]\n!HPMOLAL ,mol kg-1 ,AHPLUSIJ[0]/AH2OIJ[0]*1000.0\n!ACIDITYTEMP , ,-1*LOG10(HPMOLAL[0])\n!FINEPHF , ,AH2OIJ[0]>0.01 ? ACIDITYTEMP[0] : -9.999E36\n\n!! PM10.0 and Coarse-Sized Species\nPM10 ,ug m-3 ,PM10[3]\n \nPMC_CL ,ug m-3 ,PM25TO10_CL[3]\nPMC_NA ,ug m-3 ,PM25TO10_NA[3]\nPMC_NH4 ,ug m-3 ,PM25TO10_NH4[3] \nPMC_NO3 ,ug m-3 ,PM25TO10_NO3[3] \nPMC_SO4 ,ug m-3 ,PM25TO10_SO4[3] \nPMC_TOT ,ug m-3 ,PM25TO10[3] \n \n!! FRM PM Equivalent Calculation\nPMIJ_FRM ,ug m-3 ,PMF_FRM[3]\nPM25_FRM ,ug m-3 ,PM25_FRM[3]\n" }, { "path": "CCTM/src/MECHS/cb6r5m_ae7_aq/mech_cb6r5m_ae7_aq.def", "content": "!CB6r3 for CMAQ\n! created for CMAQv5.2 and released in June 2017\n! documented in https://www.epa.gov/cmaq\n! Changes made for CMAQv5.3:\n! For SE US study with Ng Group, Gatech (HOT Pye 2017):\n! Remove TRPRXN formation from NO3 reactions\n! Split APIN from other monoterpenes\n! Add MTNO3 formation following Pye et al. 2015 (from SAPRC07tic implementation)\n! Update TRPRXN SOA yields in SOA_DEFN.F\n! Documentation in Xu et al. 2018 ACPD: https://doi.org/10.5194/acp-2017-1109\n! 06-19-18 G.Sarwar\n! updated \n! 080118 DJL\n! 1. Modified chlorine reactions ( to ) to match CB6r2, mimic\n! similar reactions in CB6r3, or updated to IUPAC\n! 2. Added new species, CLNO3 and reactions of CLNO3\n! 3. New heterogeneous reactions ( and ) from\n! hemispheric halogen chemical mechanism\n! 4. implemented temperature and pressure-dependent CS/QY for CLNO2\n!\n! 07-16-18 G.Sarwar, removed condensed halogen chemistry and added bromine/iodine and DMS chemistry\n! 040319 HOT Pye: IEPOX uptake now consumes inorganic sulfate\n!\n! 07-04-20 G Sarwar, added an iodine reaction - (IO45)\n! 01/08/21 G Sarwar, removed the reaction of CH3BR ; there are no emissions (BR21)\n! 12-20-20 G Sarwar, added a reaction for CB6r5 and updated many rate constants and some yields following Ramboll Report to TCEQ (07/30/2020)\n!\n!---------------------------------\nCB6R5M_AE7_AQ\n\nREACTIONS[CM] =\n\n NO2 = NO + O # 1.0/;\n O + O2 + M = O3 + M # 6.00E-34^-2.6;\n O3 + NO = NO2 # 2.07E-12@1400;\n O + NO = NO2 # 1.00E-31^-1.6 & 5.00E-11^0.30 &0.85 &0.84;\n O + NO2 = NO # 5.10E-12@-198;\n O + NO2 = NO3 # 1.30E-31^-1.5 & 2.30E-11^0.24 &0.6 &1.03;\n O + O3 = # 8.00E-12@2060;\n O3 = O # 1.0/;\n O3 = O1D # 1.0/;\n O1D + M = O + M # 2.23E-11@-115;\n O1D + H2O = 2.0*OH # 2.14E-10;\n O3 + OH = HO2 # 1.70E-12@940;\n O3 + HO2 = OH # 2.03E-16^4.57@-693;\n OH + O = HO2 # 2.40E-11@-110;\n HO2 + O = OH # 3.00E-11@-200;\n OH + OH = O # 6.20E-14^2.6@-945;\n OH + OH = H2O2 # 9.00E-31^-3.2 & 3.90E-11^-0.47 &0.42 &1.23;\n OH + HO2 = # 4.80E-11@-250;\n HO2 + HO2 = H2O2 %3 # 2.20E-13@-600 & 1.90E-33@-980;\n HO2 + HO2 + H2O = H2O2 %3 # 3.08E-34@-2800 & 2.66E-54@-3180;\n H2O2 = 2.0*OH # 1.0/;\n H2O2 + OH = HO2 # 1.80E-12;\n H2O2 + O = OH + HO2 # 1.40E-12@2000;\n NO + NO + O2 = 2.0*NO2 # 4.25E-39@-664;\n HO2 + NO = OH + NO2 # 3.45E-12@-270;\n NO2 + O3 = NO3 # 1.40E-13@2470;\n NO3 = NO2 + O # 1.0/;\n NO3 = NO # 1.0/;\n NO3 + NO = 2.0*NO2 # 1.80E-11@-110;\n NO3 + NO2 = NO + NO2 # 4.50E-14@1260;\n NO3 + O = NO2 # 1.70E-11;\n NO3 + OH = HO2 + NO2 # 2.00E-11;\n NO3 + HO2 = OH + NO2 # 4.00E-12;\n NO3 + O3 = NO2 # 1.00E-17;\n NO3 + NO3 = 2.0*NO2 # 8.50E-13@2450;\n NO3 + NO2 = N2O5 # 3.60E-30^-4.1 & 1.90E-12^0.2 &0.35 &1.33;\n N2O5 = NO3 + NO2 # 1.30E-3^-3.5@11000 & 9.70E+14^0.1@11080 &0.35 &1.33;\n N2O5 = NO2 + NO3 # 1.0/;\n N2O5 + H2O = 2.0*HNO3 # 1.00E-22;\n NO + OH = HONO # 7.40E-31^-2.4 & 3.30E-11^-0.3 &0.81 &0.87;\n NO + NO2 + H2O = 2.0*HONO # 5.00E-40;\n HONO + HONO = NO + NO2 # 1.00E-20;\n HONO = NO + OH # 1.0/;\n HONO + OH = NO2 # 2.50E-12@-260;\n NO2 + OH = HNO3 # 1.80E-30^-3 & 2.80E-11 &0.6 &1;\n HNO3 + OH = NO3 %2 # 2.40E-14@-460 & 2.70E-17@-2199 & 6.50E-34@-1335;\n HNO3 = OH + NO2 # 1.0/;\n HO2 + NO2 = PNA # 1.40E-31^-3.1 & 4.00E-12 &0.4 &1.26;\n PNA = HO2 + NO2 # 4.10E-5@10650 & 6.00E+15@11170 &0.4 &1.26;\n PNA = 0.59*HO2 + 0.59*NO2 + 0.41*OH + 0.41*NO3 # 1.0/;\n PNA + OH = NO2 # 3.20E-13@-690;\n! Added SULRXN to SO2+OH\n SO2 + OH = SULF + HO2 + SULRXN # 2.80E-31^-2.6 & 2.00E-12 &0.53 &1.1;\n C2O3 + NO = NO2 + MEO2 + RO2 # 7.50E-12@-290;\n C2O3 + NO2 = PAN # 3.61E-28^-6.87 & 1.24E-11^-1.105 &0.3 &1.41;\n PAN = NO2 + C2O3 # 1.10E-5@10100 & 1.90E+17@14100 &0.3 &1.41;\n PAN = 0.6*NO2 + 0.6*C2O3 + 0.4*NO3 + 0.4*MEO2 +0.4*RO2 #1.0/;\n C2O3 + HO2 = 0.37*PACD + 0.13*AACD + 0.13*O3 + 0.5*MEO2 + 0.5*RO2 \n + 0.50*OH # 3.14E-12@-580;\n C2O3 + RO2 = MEO2 # 4.40E-13@-1070;\n C2O3 + C2O3 = 2.0*MEO2 + 2.0*RO2 # 2.90E-12@-500;\n C2O3 + CXO3 = MEO2 + ALD2 + XO2H + 2.0*RO2 # 1.00E+0*K; \n CXO3 + NO = NO2 + ALD2 + XO2H + RO2 # 6.70E-12@-340;\n CXO3 + NO2 = PANX # 8.4E-1*K;\n PANX = NO2 + CXO3 # 8.4E-1*K; \n PANX = 0.6*NO2 +0.6*CXO3 +0.4*NO3 +0.4*ALD2 +0.4*XO2H +0.4*RO2 \n #1.0/; \n CXO3 + HO2 = 0.37*PACD + 0.13*AACD + 0.13*O3 + 0.5*OH + 0.5*MEO2 \n + 0.5*RO2 # 1.00E+0*K; \n CXO3 + RO2 = MEO2 # 1.00E+0*K; \n CXO3 + CXO3 = 2.0*MEO2 + 2.0*RO2 # 1.00E+0*K;\n RO2 + NO = NO # 2.40E-12@-360;\n RO2 + HO2 = HO2 # 4.80E-13@-800;\n RO2 + RO2 = # 6.50E-14@-500;\n MEO2 + NO = FORM + HO2 + NO2 # 2.30E-12@-360;\n MEO2 + HO2 = 0.9*MEPX + 0.1*FORM # 3.80E-13@-780;\n MEO2 + C2O3 = FORM + 0.9*HO2 + 0.9*MEO2 + 0.1*AACD +0.9*RO2 # 2.E-12@-500;\n MEO2 + RO2 = 0.685*FORM + 0.315*MEOH + 0.37*HO2 + RO2 # 1.0*K;\n XO2H + NO = NO2 + HO2 # 2.70E-12@-360;\n XO2H + HO2 = ROOH # 6.80E-13@-800;\n XO2H + C2O3 = 0.8*HO2 + 0.8*MEO2 + 0.2*AACD + 0.8*RO2 # 1.0*K;\n XO2H + RO2 = 0.6*HO2 + RO2 # 1.00E+0*K;\n XO2 + NO = NO2 # 1.00E+0*K;\n XO2 + HO2 = ROOH # 1.00E+0*K;\n XO2 + C2O3 = 0.8*MEO2 + 0.2*AACD + 0.8*RO2 # 1.0*K;\n XO2 + RO2 = RO2 # 1.00E+0*K;\n XO2N + NO = 0.5*NTR1 + 0.5*NTR2 # 1.00E+0*K;\n XO2N + HO2 = ROOH # 1.00E+0*K;\n XO2N + C2O3 = 0.8*HO2 + 0.8*MEO2 + 0.2*AACD + 0.8*RO2 # 1.0*K;\n XO2N + RO2 = RO2 # 1.00E+0*K;\n MEPX + OH = 0.6*MEO2 + 0.6*RO2 + 0.4*FORM + 0.4*OH # 5.30E-12@-190;\n MEPX = MEO2 + RO2 + OH # 1.0/;\n ROOH + OH = 0.54*XO2H + 0.06*XO2N + 0.6*RO2 + 0.4*OH # 5.30E-12@-190;\n ROOH = HO2 + OH # 1.0/;\n NTR1 + OH = NTR2 # 2.00E-12;\n NTR1 = NO2 # 1.0/;\n!BK NTR1 = NO2 # 0.0/;\n!BK NTR1 = NO2 # 0.0/;\n FACD + OH = HO2 # 4.50E-13;\n AACD + OH = MEO2 + RO2 # 4.00E-14@-850;\n PACD + OH = C2O3 # 5.30E-12@-190;\n FORM + OH = HO2 + CO # 5.40E-12@-135;\n FORM = 2.0*HO2 + CO # 1.0/;\n FORM = CO # 1.0/;\n FORM + O = OH + HO2 + CO # 3.40E-11@1600;\n FORM + NO3 = HNO3 + HO2 + CO # 5.50E-16;\n FORM + HO2 = HCO3 # 9.70E-15@-625;\n HCO3 = FORM + HO2 # 2.40E+12@7000;\n HCO3 + NO = FACD + NO2 + HO2 # 5.60E-12;\n HCO3 + HO2 = 0.5*MEPX + 0.5*FACD + 0.2*OH + 0.2*HO2 # 5.60E-15@-2300;\n ALD2 + O = C2O3 + OH # 1.80E-11@1100;\n ALD2 + OH = C2O3 # 4.70E-12@-345;\n ALD2 + NO3 = C2O3 + HNO3 # 1.40E-12@1860;\n ALD2 = MEO2 + RO2 + CO + HO2 # 1.0/;\n ALDX + O = CXO3 + OH # 1.30E-11@870;\n ALDX + OH = CXO3 # 4.90E-12@-405;\n ALDX + NO3 = CXO3 + HNO3 # 6.30E-15;\n ALDX = ALD2 + XO2H + RO2 + CO + HO2 # 1.0/;\n GLYD + OH = 0.2*GLY + 0.2*HO2 + 0.8*C2O3 # 8.00E-12;\n GLYD = 0.74*FORM + 0.89*CO + 1.4*HO2 + 0.15*MEOH + 0.19*OH + 0.11*GLY \n + 0.11*XO2H + 0.11*RO2 # 1.0/;\n GLYD + NO3 = HNO3 + C2O3 # 1.00E+0*K;\n GLY + OH = 1.8*CO + 0.2*XO2 + 0.2*RO2 + HO2 # 3.10E-12@-340;\n GLY = 2.0*HO2 + 2.0*CO # 1.0/;\n GLY + NO3 = HNO3 + 1.5*CO + 0.5*XO2 + 0.5*RO2 + HO2 # 4.00E-16;\n MGLY = C2O3 + HO2 + CO # 1.0/;\n MGLY + NO3 = HNO3 + C2O3 + XO2 + RO2 # 5.00E-16;\n MGLY + OH = C2O3 + CO # 1.90E-12@-575;\n H2 + OH = HO2 # 7.70E-12@2100;\n CO + OH = HO2 %3 # 1.44E-13@0.0 &3.43E-33@0.0;\n CH4 + OH = MEO2 + RO2 # 1.85E-12@1690;\n ETHA + OH = 0.991*ALD2 + 0.991*XO2H + 0.009*XO2N + RO2 # 6.90E-12@1000;\n MEOH + OH = FORM + HO2 # 2.85E-12@345;\n ETOH + OH = 0.95*ALD2 + 0.9*HO2 + 0.1*XO2H + 0.1*RO2 + 0.078*FORM \n + 0.011*GLYD # 3.00E-12@-20;\n KET = 0.5*ALD2 + 0.5*C2O3 + 0.5*XO2H + 0.5*CXO3 + 0.5*MEO2 + RO2 \n -2.5*PAR # 1.0/;\n ACET = 0.38*CO + 1.38*MEO2 + 1.38*RO2 + 0.62*C2O3 # 1.0/;\n ACET + OH = FORM + C2O3 + XO2 + RO2 # 1.41E-12@620.6;\n PRPA + OH = XPRP # 7.60E-12@585;\n PAR + OH = XPAR # 8.10E-13;\n ROR = 0.2*KET + 0.42*ACET + 0.74*ALD2 + 0.37*ALDX + 0.04*XO2N \n +0.94*XO2H + 0.98*RO2 + 0.02*ROR -2.7*PAR # 5.70E+12@5780;\n ROR + O2 = KET + HO2 # 1.50E-14@200;\n ROR + NO2 = NTR1 # 8.60E-12@-400;\n ETHY + OH = 0.7*GLY + 0.7*OH + 0.3*FACD + 0.3*CO +0.3*HO2 \n # 5.E-30^-1.5 & 1.00E-12 &0.37 &1.3;\n ETH + O = FORM + HO2 + CO + 0.7*XO2H + 0.7*RO2 + 0.3*OH # 1.04E-11@792;\n ETH + OH = XO2H + RO2 + 1.56*FORM + 0.22*GLYD \n # 8.60E-29^-3.1 & 9.00E-12^-0.85 &0.48 &1.15;\n ETH + O3 = FORM + 0.35*CO + 0.27*HO2 + 0.17*OH +0.42*FACD #6.82E-15@2500;\n ETH + NO3 = 0.5*NO2 + 0.5*NTR1 + 0.5*XO2H + 0.5*XO2 + RO2 + 1.125*FORM \n # 3.30E-12@2880;\n OLE + O = 0.2*ALD2 + 0.3*ALDX + 0.1*HO2 + 0.2*XO2H + 0.2*CO + 0.2*FORM \n + 0.01*XO2N + 0.21*RO2 + 0.2*PAR + 0.1*OH # 1.00E-11@280;\n OLE + OH = 0.781*FORM + 0.488*ALD2 + 0.488*ALDX + 0.976*XO2H + 0.195*XO2\n + 0.024*XO2N + 1.195*RO2 -0.73*PAR # 8.E-27^-3.5&3.00E-11^-1 &0.5 &1.13; \n OLE + O3 = 0.295*ALD2 + 0.555*FORM + 0.27*ALDX + 0.15*XO2H + 0.15*RO2 \n + 0.334*OH + 0.08*HO2 + 0.378*CO + 0.075*GLY + 0.075*MGLY \n + 0.09*FACD + 0.13*AACD + 0.04*H2O2 -0.79*PAR # 5.50E-15@1880;\n OLE + NO3 = 0.5*NO2 + 0.5*NTR1 + 0.48*XO2 + 0.48*XO2H + 0.04*XO2N \n + RO2 + 0.5*FORM + 0.25*ALD2 + 0.375*ALDX -1.0*PAR # 4.60E-13@1155;\n IOLE + O = 1.24*ALD2 + 0.66*ALDX + 0.1*XO2H + 0.1*RO2 + 0.1*CO + 0.1*PAR \n # 2.30E-11;\n IOLE + OH = 1.3*ALD2 + 0.7*ALDX + XO2H + RO2 # 1.05E-11@-519;\n IOLE + O3 = 0.732*ALD2 + 0.442*ALDX + 0.128*FORM + 0.245*CO + 0.5*OH \n + 0.3*XO2H + 0.3*RO2 + 0.24*GLY + 0.06*MGLY + 0.29*PAR \n + 0.08*AACD + 0.08*H2O2 # 4.70E-15@1013;\n IOLE + NO3 = 0.5*NO2 + 0.5*NTR1 + 0.48*XO2 + 0.48*XO2H + 0.04*XO2N \n + RO2 + 0.5*ALD2 + 0.625*ALDX + PAR # 3.70E-13;\n! added ISOPRXN to ISOP+OH\n ISOP + OH = ISO2 + RO2 + ISOPRXN # 2.70E-11@-390;\n ISOP + O = 0.75*ISPD + 0.5*FORM + 0.25*XO2 + 0.25*RO2 + 0.25*HO2 \n + 0.25*CXO3 + 0.25*PAR # 3.00E-11;\n ISO2 + NO = 0.1*INTR + 0.9*NO2 + 0.673*FORM + 0.9*ISPD + 0.818*HO2 \n + 0.082*XO2H + 0.082*RO2 # 2.39E-12@-365;\n ISO2 + HO2 = 0.88*ISPX + 0.12*OH + 0.12*HO2 + 0.12*FORM + 0.12*ISPD \n # 7.43E-13@-700;\n ISO2 + C2O3 = 0.598*FORM + 1.0*ISPD + 0.728*HO2 + 0.072*XO2H + 0.8*MEO2 \n + 0.2*AACD + 0.872*RO2 # 1.00E+0*K;\n ISO2 + RO2 = 0.598*FORM + 1.0*ISPD + 0.728*HO2 + 0.072*XO2H + 1.072*RO2 \n # 1.0*K;\n ISO2 = HO2 + HPLD # 3.30E+9@8300;\n ISOP + O3 = 0.6*FORM + 0.65*ISPD + 0.15*ALDX + 0.2*CXO3 + 0.35*PAR \n + 0.266*OH + 0.2*XO2 + 0.2*RO2 + 0.066*HO2 + 0.066*CO # 1.03E-14@1995;\n ISOP + NO3 = 0.35*NO2 + 0.65*NTR2 + 0.64*XO2H + 0.33*XO2 + 0.03*XO2N \n + RO2 + 0.35*FORM + 0.35*ISPD + ISOPRXN # 3.03E-12@448;\n ISPD + OH = 0.022*XO2N + 0.521*XO2 + 0.115*MGLY + 0.115*MEO2 \n + 0.269*GLYD + 0.269*C2O3 + 0.457*OPO3 + 0.117*PAR + 0.137*ACET\n + 0.137*CO + 0.137*HO2 + 0.658*RO2 # 5.58E-12@-511;\n ISPD + O3 = 0.04*ALD2 + 0.231*FORM + 0.531*MGLY + 0.17*GLY + 0.17*ACET \n + 0.543*CO + 0.461*OH + 0.15*FACD + 0.398*HO2 + 0.143*C2O3 # 3.88E-15@1770;\n ISPD + NO3 = 0.717*HNO3 + 0.142*NTR2 + 0.142*NO2 + 0.142*XO2 \n + 0.142*XO2H + 0.113*GLYD + 0.113*MGLY + 0.717*PAR \n + 0.717*CXO3 + 0.284*RO2 # 4.10E-12@1860;\n ISPD = 0.76*HO2 + 0.34*XO2H + 0.16*XO2 + 0.34*MEO2 + 0.208*C2O3 \n + 0.26*FORM + 0.24*OLE + 0.24*PAR + 0.17*ACET + 0.128*GLYD \n + 0.84*RO2 # 1.0/;\n ISPX + OH = 0.904*EPOX + 0.933*OH + 0.067*ISO2 + 0.067*RO2 + 0.029*IOLE \n + 0.029*ALDX # 2.23E-11@-372;\n HPLD = OH + ISPD # 1.0/;\n HPLD + NO3 = HNO3 + ISPD # 6.00E-12@1860;\n EPOX + OH = EPX2 + RO2 # 5.78E-11@400;\n EPX2 + HO2 = 0.275*GLYD + 0.275*GLY + 0.275*MGLY + 1.125*OH + 0.825*HO2 \n + 0.375*FORM + 0.074*FACD + 0.251*CO + 2.175*PAR # 7.43E-13@-700;\n EPX2 + NO = 0.275*GLYD + 0.275*GLY + 0.275*MGLY + 0.125*OH + 0.825*HO2 \n + 0.375*FORM + NO2 + 0.251*CO + 2.175*PAR # 2.39E-12@-365;\n EPX2 + C2O3 = 0.22*GLYD + 0.22*GLY + 0.22*MGLY + 0.1*OH + 0.66*HO2 \n + 0.3*FORM + 0.2*CO +1.74*PAR + 0.8*MEO2 + 0.2*AACD +0.8*RO2 # 1.0*K;\n EPX2 + RO2 = 0.275*GLYD + 0.275*GLY + 0.275*MGLY + 0.125*OH + 0.825*HO2 \n + 0.375*FORM + 0.251*CO + 2.175*PAR + RO2 # 1.0*K;\n INTR + OH = 0.63*XO2 + 0.37*XO2H + RO2 + 0.444*NO2 + 0.185*NO3 \n + 0.104*INTR + 0.592*FORM + 0.331*GLYD + 0.185*FACD + 2.7*PAR \n + 0.098*OLE + 0.078*ALDX + 0.266*NTR2 # 3.10E-11;\n! added TRPRXN to TERP+ O, OH, O3 and NO3\n TERP + O = 0.15*ALDX + 5.12*PAR + TRPRXN # 3.60E-11;\n TERP + OH = 0.75*XO2H + 0.5*XO2 + 0.25*XO2N + 1.5*RO2 + 0.28*FORM \n + 1.66*PAR + 0.47*ALDX + TRPRXN # 1.50E-11@-449;\n TERP + O3 = 0.57*OH + 0.07*XO2H + 0.69*XO2 + 0.18*XO2N + 0.94*RO2\n + 0.24*FORM + 0.001*CO + 7.0*PAR + 0.21*ALDX + 0.39*CXO3 \n + TRPRXN # 1.20E-15@821;\n TERP + NO3 = 0.47*NO2 + 0.28*XO2H + 0.75*XO2 + 0.25*XO2N + 1.28*RO2 \n + 0.47*ALDX + 0.53*NTR2 + 1.0*TERPNRO2 # 3.70E-12@-175;\n! Separate APIN (alpha-pinene)\n APIN + O = 0.15*ALDX + 5.12*PAR + TRPRXN # 3.60E-11;\n APIN + OH = 0.75*XO2H + 0.5*XO2 + 0.25*XO2N + 1.5*RO2 + 0.28*FORM \n + 1.66*PAR + 0.47*ALDX + TRPRXN # 1.50E-11@-449;\n APIN + O3 = 0.57*OH + 0.07*XO2H + 0.69*XO2 + 0.18*XO2N + 0.94*RO2\n + 0.24*FORM + 0.001*CO + 7.0*PAR + 0.21*ALDX + 0.39*CXO3 \n + TRPRXN # 1.20E-15@821;\n APIN + NO3 = 0.47*NO2 + 0.28*XO2H + 0.75*XO2 + 0.25*XO2N + 1.28*RO2 \n + 0.47*ALDX + 0.53*NTR2 # 3.70E-12@-175;\n! added BENZRO2 as tracer for SOA products from BENZENE - used later to account\n! for high vs. low NOx influence on SOA\n BENZENE + OH = 0.53*CRES + 0.352*BZO2 + 0.352*RO2 + 0.118*OPEN + 0.118*OH \n + 0.53*HO2 + BENZRO2 # 2.30E-12@190;\n BZO2 + NO = 0.918*NO2 + 0.082*NTR2 + 0.918*GLY + 0.918*OPEN + 0.918*HO2 \n # 2.70E-12@-360;\n BZO2 + C2O3 = GLY + OPEN + HO2 + MEO2 + RO2 # 1.0*K;\n BZO2 + HO2 = # 1.90E-13@-1300;\n BZO2 + RO2 = GLY + OPEN + HO2 + RO2 # 1.0*K;\n! added TOLRO2 tracer for SOA production - used at end of mechanism file to \n! account for low vs. high NOx dependance of SOA precursors (TOLRXN)\n TOL + OH = 0.18*CRES + 0.65*TO2 + 0.72*RO2 + 0.1*OPEN + 0.1*OH \n + 0.07*XO2H + 0.18*HO2 + TOLRO2 # 1.80E-12@-340;\n TO2 + NO = 0.86*NO2 + 0.14*NTR2 + 0.417*GLY + 0.443*MGLY + 0.66*OPEN \n + 0.2*XOPN + 0.86*HO2 # 2.70E-12@-360;\n TO2 + C2O3 = 0.48*GLY + 0.52*MGLY + 0.77*OPEN + 0.23*XOPN + HO2 + MEO2 \n + RO2 # 1.0*K;\n TO2 + HO2 = # 1.90E-13@-1300;\n TO2 + RO2 = 0.48*GLY + 0.52*MGLY + 0.77*OPEN + 0.23*XOPN + HO2 + RO2 \n # 1.0*K;\n! added XYLRO2 tracer for SOA production - used at end of mechanism file to \n! account for low vs. high NOx dependance of SOA precursors\n XYLMN + OH = 0.155*CRES + 0.544*XLO2 + 0.602*RO2 + 0.244*XOPN + 0.244*OH \n + 0.058*XO2H + 0.155*HO2 + XYLRO2 # 1.85E-11;\n NAPH + OH = 0.155*CRES + 0.544*XLO2 + 0.602*RO2 + 0.244*XOPN + 0.244*OH \n + 0.058*XO2H + 0.155*HO2 + PAHRO2 # 1.85E-11;\n XLO2 + NO = 0.86*NO2 + 0.14*NTR2 + 0.221*GLY + 0.675*MGLY + 0.3*OPEN \n + 0.56*XOPN + 0.86*HO2 # 2.70E-12@-360;\n XLO2 + HO2 = # 1.90E-13@-1300;\n XLO2 + C2O3 = 0.26*GLY + 0.77*MGLY + 0.35*OPEN + 0.65*XOPN + HO2 + MEO2 \n + RO2 # 1.0*K;\n XLO2 + RO2 = 0.26*GLY + 0.77*MGLY + 0.35*OPEN + 0.65*XOPN + HO2 + RO2 \n # 1.0*K;\n CRES + OH = 0.025*GLY + 0.025*OPEN + HO2 + 0.2*CRO + 0.732*CAT1 \n + 0.02*XO2N + 0.02*RO2 # 1.70E-12@-950;\n CRES + NO3 = 0.3*CRO + HNO3 + 0.48*XO2 + 0.12*XO2H + 0.24*GLY \n + 0.24*MGLY + 0.48*OPO3 + 0.1*XO2N + 0.7*RO2 # 1.40E-11;\n CRO + NO2 = CRON # 2.10E-12;\n CRO + HO2 = CRES # 5.50E-12;\n CRON + OH = NTR2 + 0.5*CRO # 1.53E-12;\n CRON + NO3 = NTR2 + 0.5*CRO + HNO3 # 3.80E-12;\n CRON = HONO + HO2 + FORM + OPEN # 1.0/;\n XOPN = 0.4*GLY + XO2H + 0.7*HO2 + 0.7*CO + 0.3*C2O3 #0.05/;\n XOPN + OH = MGLY + 0.4*GLY + 2.0*XO2H + 2.0*RO2 # 9.00E-11;\n XOPN + O3 = 1.2*MGLY + 0.5*OH + 0.6*C2O3 + 0.1*ALD2 + 0.5*CO + 0.3*XO2H \n + 0.3*RO2 # 1.08E-16@500;\n XOPN + NO3 = 0.5*NO2 + 0.5*NTR2 + 0.45*XO2H + 0.45*XO2 + 0.1*XO2N + RO2 \n + 0.25*OPEN + 0.25*MGLY # 3.00E-12;\n OPEN = OPO3 + HO2 + CO # 0.028/;\n OPEN + OH = 0.6*OPO3 + 0.4*XO2H + 0.4*RO2 + 0.4*GLY # 4.40E-11;\n OPEN + O3 = 1.4*GLY + 0.24*MGLY + 0.5*OH + 0.12*C2O3 + 0.08*FORM \n + 0.02*ALD2 + 1.98*CO + 0.56*HO2 # 5.40E-17@500;\n OPEN + NO3 = OPO3 + HNO3 # 3.80E-12;\n CAT1 + OH = 0.14*FORM + 0.2*HO2 + 0.5*CRO # 5.00E-11;\n CAT1 + NO3 = CRO + HNO3 # 1.70E-10;\n OPO3 + NO = NO2 + 0.5*GLY + 0.5*CO + 0.8*HO2 + 0.2*CXO3 # 1.00E+0*K; \n OPO3 + NO2 = OPAN # 1.00E+0*K; \n OPAN = OPO3 + NO2 # 1.00E+0*K; \n OPO3 + HO2 = 0.37*PACD + 0.13*AACD + 0.13*O3 + 0.5*OH + 0.5*MEO2 \n + 0.5*RO2 # 1.00E+0*K;\n OPO3 + C2O3 = MEO2 + XO2 + ALDX + 2.0*RO2 # 1.00E+0*K;\n OPO3 + RO2 = 0.8*XO2H + 0.8*ALDX + 1.8*RO2 + 0.2*AACD # 1.00E+0*K;\n OPAN + OH = 0.5*NO2 + 0.5*GLY + CO + 0.5*NTR2 # 3.60E-11;\n PANX + OH = ALD2 + NO2 # 3.00E-12;\n!BK NTR2 = HNO3 # 2.30E-5;\n ECH4 + OH = MEO2 + RO2 # 1.85E-12@1690;\n XPRP = XO2N + RO2 # 2.37E-21 & 4.07E-01^-8.0 &0.41 &1.0;\n XPRP = 0.732*ACET + 0.268*ALDX + 0.268*PAR + XO2H\n + RO2 # 1.00E+00;\n XPAR = XO2N + RO2 # 4.81E-20 & 4.07E-01^-8.0 &0.41 &1.0;\n XPAR = 0.126*ALDX + 0.874*ROR + 0.126*XO2H + 0.874*XO2\n + RO2 -0.126*PAR # 1.00E+00;\n NO2 + OH + H2O = HNO3 # 1.10E-30; \n!\n! Chlorine reactions added from base CB05tucl and updated\n!\n\n CL2 = 2.000*CL # 1.0/;\n HOCL = OH + CL # 1.0/;\n\n CL + O3 = CLO # 2.3E-11 @ 200;\n CLO + CLO = 0.300*CL2 + 1.400*CL # 1.63E-14;\n CLO + NO = CL + NO2 # 6.4E-12 @ -290;\n CLO + HO2 = HOCL # 2.2E-12 @ -340;\n CLO + MEO2 = CL + FORM + HO2 # 3.2E-12@110;\n OH + FMCL = CL + CO # 5.0E-13;\n FMCL = CL + CO + HO2 # 1.0/;\n CL + CH4 = HCL + MEO2 + RO2 # 6.6E-12 @ 1240;\n CL + PAR = HCL + XPAR # 5.0E-11;\n CL + PRPA = HCL + ACET + 0.97*XO2H + 0.03*XO2N + RO2 # 1.4E-10;\n CL + ETHA = HCL\n + 0.991*ALD2\n + 0.991*XO2H\n + 0.009*XO2N\n + RO2 # 8.3-11 @ 100;\n CL + ETH = FMCL\n + 2.000*XO2\n + 1.000*HO2\n + 1.000*FORM # 1.07E-10;\n CL + OLE = FMCL\n + 0.330*ALD2\n + 0.670*ALDX\n + 2.000*XO2\n + 1.000*HO2\n - 1.000*PAR # 2.5E-10;\n CL + IOLE = 0.300*HCL\n + 0.700*FMCL\n + 0.450*ALD2\n + 0.550*ALDX\n + 0.300*OLE\n + 0.300*PAR\n + 1.700*XO2\n + 1.000*HO2 # 3.5E-10;\n CL + ISOP = FMCL + ISPD + 0.96*XO2H + 0.04*XO2N + RO2 # 4.3E-10;\n CL + FORM = HCL + 1.00*HO2 + 1.00*CO # 8.2E-11 @ 34;\n CL + ALD2 = HCL + 1.000*C2O3 # 7.9E-11;\n CL + ALDX = HCL + 1.000*CXO3 # 1.3E-10;\n CL + MEOH = HCL + 1.00*HO2 + 1.00*FORM # 5.5E-11;\n CL + ETOH = HCL + 1.00*HO2 + 1.00*ALD2 # 8.2E-11 @ -45;\n HCL + OH = CL # 6.58E-13^1.16 @ -58;\n\n CL + TOL = HCL + 0.18*CRES + 0.65*TO2 + 0.72*RO2 + 0.1*OPEN\n + 0.1*OH + 0.07*XO2H + 0.18*HO2 + TOLRO2 # 6.1E-11;\n CL + XYLMN = HCL + 0.155*CRES + 0.544*XLO2 + 0.602*RO2 + 0.244*XOPN\n + 0.244*OH + 0.058*XO2H + 0.155*HO2 + XYLRO2 # 1.2E-10;\n CL + NAPH = HCL + 0.155*CRES + 0.544*XLO2 + 0.602*RO2 + 0.244*XOPN\n + 0.244*OH + 0.058*XO2H + 0.155*HO2 + PAHRO2 # 1.2E-10;\n CLNO2 = CL + NO2 #1.0/;\n! add new reactions for chlorine nitrate\n CLO + NO2 = CLNO3 #1.8E-31^-3.4&1.5E-11^-1.9&0.6;\n! CLNO3 = CLO + NO2 #4.48E-5^-1.0@12530&3.71E+15^3.5@12530&0.6;\n CLNO3 = CLO + NO2 # 1.0/;\n CLNO3 = CL + NO3 # 1.0/;\n\n! heterogeneous reactions \n CLNO3 = HOCL + HNO3 # 1.0~;\n CLNO3 = HOCL + HNO3 # 1.0~;\n\n! SOA counter species and semivolatiles formed\n TOLRO2 + NO = NO + 0.016*SVAVB2 + 0.051*SVAVB3 +\n 0.047*SVAVB4 # 2.70e-12@-360;\n TOLRO2 + HO2 = HO2 + 0.14*SVAVB1 # 1.90e-13@-1300;\n XYLRO2 + NO = NO + 0.015*SVAVB2 + 0.023*SVAVB3 +\n 0.06*SVAVB4 # 2.70e-12@-360;\n XYLRO2 + HO2 = HO2 + 0.193*SVAVB1 # 1.90e-13@-1300;\n BENZRO2 + NO = NO + 0.034*SVAVB2 + 0.392*SVAVB4 # 2.70e-12@-360;\n BENZRO2 + HO2 = HO2 + 0.146*SVAVB1 # 1.90e-13@-1300;\n SESQ + O3 = O3 + SESQRXN # 1.16E-14;\n SESQ + OH = OH + SESQRXN # 1.97E-10;\n SESQ + NO3 = NO3 + SESQRXN # 1.90E-11;\n PAHRO2 + NO = NO + 0.028*SVAVB2 + 0.225*SVAVB3 +\n 0.191*SVAVB4 # 2.70e-12@-360;\n PAHRO2 + HO2 = HO2 + 0.473*SVAVB1 # 1.90e-13@-1300;\n SOAALK + OH = OH + 0.006*SVAVB2 + 0.052*SVAVB3 +\n 0.081*SVAVB4 # 2.70e-12@-374;\n\n! iorganic heteorogeneous reactions from hetchem version 5.0.2\n! included F_NTR2_ON factor here, rather than in AEROSOL_CHEM.F\n\n NTR2 = HNO3 # 1.4~;\n\n N2O5 = HNO3 + H2NO3PIJ # 1.0~;\n N2O5 = HNO3 + H2NO3PK # 1.0~;\n H2NO3PIJ = HNO3 # 1.0~;\n H2NO3PK = HNO3 # 1.0~;\n H2NO3PIJ + ACLI = CLNO2 # 1.0~;\n H2NO3PIJ + ACLJ = CLNO2 # 1.0~;\n H2NO3PK + ACLK = CLNO2 # 1.0~;\n\n NO2 = 0.5*HONO + 0.5*HNO3 # 1.0~;\n\n! heterogeneous acid-catalyzed uptake of isoprene-epoxydiols \n EPOX = IEPOXP # 1.0~;\n IEPOXP + ASO4J = AISO3J # 1.0~;\n IEPOXP = AISO3J # 1.0~;\n\n! GLY and MGLY uptake\n GLY = AGLYJ # 1.0~;\n MGLY = AGLYJ # 1.0~;\n\n! MTNO3 formation and reaction\n TERPNRO2 + NO = 1.0*NO + 0.688*MTNO3 # 2.60e-12@-380;\n TERPNRO2 + HO2 = 1.0*HO2 + 1.0*MTNO3 # 2.65e-13@-1300;\n TERPNRO2 + NO3 = 1.0*NO3 + 0.422*MTNO3 # 2.30e-12;\n! 50% alkoxy radical yield from TERPNRO2 + RO2\n TERPNRO2 + RO2 = 1.0*RO2 + 0.711*MTNO3 # 3.50e-14;\n! Reaction with OH, Cl is followed 50/50 by HO2 (N releasing) and NO (N retaining)\n MTNO3 + CL = CL + 0.37*MTNO3 # 1.92e-10;\n MTNO3 + OH = OH + 0.24*MTNO3 # 7.20e-12;\n! photolysis releases all nitrate\n MTNO3 = # 1.0/;\n\n! MTNO3 aerosol hydrolysis\n AMTNO3J = 1.00*AMTHYDJ #9.259E-5;\n\n! oligomerization reaction for secondary organic aerosols\n AAVB2J = 0.907*AOLGAJ # 9.48816E-6;\n AAVB3J = 0.925*AOLGAJ # 9.48816E-6;\n AAVB4J = 0.943*AOLGAJ # 9.48816E-6;\n AISO1J = 0.50*AOLGBJ # 9.48816E-6;\n AISO2J = 0.50*AOLGBJ # 9.48816E-6;\n ASQTJ = 1.50*AOLGBJ # 9.48816E-6;\n\n!aging reactions for primary organic carbon\n APOCI + OH = 1.25*APNCOMI + APOCI + OH # 2.5E-12;\n APNCOMI + OH = OH # 1.0~;\n APOCJ + OH = 1.25*APNCOMJ + APOCJ + OH # 2.5E-12;\n APNCOMJ + OH = OH # 1.0~;\n\n! Formation of Potential Combustion SOA (pcSOA)\n PCVOC + OH = OH + PCSOARXN # 1.25E-11;\n\n! Aging with Func. and Frag. (Donahue et al. 2012)\n VLVPO1 + OH = OH \n + 0.4857 * VLVPO1 + 0.0062 * VSVPO1\n + 0.0025 * VSVPO2 + 0.0026 * VSVPO3\n + 0.0023 * VIVPO1 + 0.2944 * VLVOO1\n + 0.2021 * VLVOO2 + 0.0019 * VSVOO2\n + 0.0023 * VSVOO3 #4.0e-11;\n VSVPO1 + OH = OH \n + 0.3003 * VLVPO1 + 0.2862 * VSVPO1\n + 0.0041 * VSVPO2 + 0.0035 * VSVPO3\n + 0.2239 * VLVOO1 + 0.1820 * VLVOO2 #4.0e-11;\n VSVPO2 + OH = OH \n + 0.3856 * VLVPO1 + 0.0950 * VSVPO1\n + 0.1373 * VSVPO2 + 0.0005 * VSVPO3\n + 0.2051 * VLVOO1 + 0.1764 * VLVOO2 #4.0e-11;\n VSVPO3 + OH = OH \n + 0.2181 * VLVPO1 + 0.3063 * VSVPO1\n + 0.0153 * VSVPO2 + 0.1043 * VSVPO3\n + 0.1893 * VLVOO1 + 0.1668 * VLVOO2 #4.0e-11;\n VIVPO1 + OH = OH \n + 0.2412 * VLVPO1 + 0.2089 * VSVPO1\n + 0.3000 * VSVPO2 + 0.2028 * VLVOO1\n + 0.0471 * VLVOO2 #4.0e-11;\n VLVOO1 + OH = OH \n + 0.6664 * VLVOO1 + 0.0143 * VLVOO2\n + 0.0123 * VSVOO1 + 0.1239 * VSVOO2\n + 0.1831 * VSVOO3 #4.0e-11;\n VLVOO2 + OH = OH \n + 0.2858 * VLVOO1 + 0.3931 * VLVOO2\n + 0.0139 * VSVOO1 + 0.1027 * VSVOO2\n + 0.2045 * VSVOO3 #4.0e-11;\n VSVOO1 + OH = OH \n + 0.3303 * VLVOO1 + 0.2272 * VLVOO2\n + 0.2607 * VSVOO1 + 0.0702 * VSVOO2\n + 0.1116 * VSVOO3 #4.0e-11;\n VSVOO2 + OH = OH \n + 0.3444 * VLVOO1 + 0.2749 * VLVOO2\n + 0.0491 * VSVOO1 + 0.2577 * VSVOO2\n + 0.0739 * VSVOO3 #4.0e-11;\n VSVOO3 + OH = OH \n + 0.3886 * VLVOO1 + 0.2421 * VLVOO2\n + 0.0640 * VSVOO1 + 0.0385 * VSVOO2\n + 0.2667 * VSVOO3 #4.0e-11; \n\n! MP extra species\n< T01> FORM_PRIMARY + OH = OH # 5.40E-12@-135;\n< T02> FORM_PRIMARY + NO3 = NO3 # 5.50E-16;\n< T03> FORM_PRIMARY + O = O # 3.4E-11 @ 1600;\n< T04> FORM_PRIMARY = # 1.0/;\n< T05> FORM_PRIMARY = # 1.0/;\n FORM_PRIMARY + CL = CL # 8.2E-11 @ 34;\n< T06> ALD2_PRIMARY + OH = OH # 4.70E-12@-345;\n< T07> ALD2_PRIMARY + NO3 = NO3 # 1.40E-12@1860;\n< T08> ALD2_PRIMARY + O = O # 1.8E-11 @ 1100;\n< T09> ALD2_PRIMARY = # 1.0/;\n ALD2_PRIMARY + CL = CL # 7.9E-11;\n< T10> BUTADIENE13 + OH = OH + 0.58*ACROLEIN # 1.48E-11@-448.;\n< T11> BUTADIENE13 + O3 = O3 + 0.52*ACROLEIN # 1.34E-14@2283.;\n< T12> BUTADIENE13 + NO3 = NO3 + 0.045*ACROLEIN # 1.79E-13;\n BUTADIENE13 + CL = CL + 0.58*ACROLEIN # 2.51E-10;\n< T13> ACRO_PRIMARY + OH = OH # 2.0E-11;\n< T14> ACRO_PRIMARY + O3 = O3 # 2.61E-19;\n< T15> ACRO_PRIMARY + NO3 = NO3 # 1.15E-15;\n< T16> ACRO_PRIMARY = # 1.0/;\n ACRO_PRIMARY + CL = CL # 2.37E-10;\n< T17> ACROLEIN + OH = OH # 2.0E-11;\n< T18> ACROLEIN + O3 = O3 # 2.61E-19;\n< T19> ACROLEIN + NO3 = NO3 # 1.15E-15;\n< T20> ACROLEIN = # 1.0/;\n ACROLEIN + CL = CL # 2.37E-10;\n< T21> TOLU + OH = OH # 1.80E-12@-340.;\n TOLU + CL = CL # 6.1E-11;\n HG + O3 = 0.5*HGIIAER + 0.5*HGIIGAS + O3 # 2.11E-18 @ 1256.5;\n HG + CL2 = HGIIGAS + CL2 # 2.6E-18;\n HG + H2O2 = HGIIGAS + H2O2 # 8.5E-19;\n HG + OH = 0.5*HGIIAER + 0.5*HGIIGAS + OH # 7.7E-14;\n HG + CL + M = 0.5*HG + 0.5*HGIIGAS + M + CL # 2.25E-33 @ -680.0;\n\n! Bromine chemistry\n\n BR + O3 = BRO # 1.6E-11 @ 780;\n BRO + HO2 = HOBR # 4.5E-12 @-460;\n BR + HO2 = HBR # 4.8E-12 @ 310;\n HBR + OH = BR # 6.7E-12 @-155;\n BRO + BRO = 2.0*BR # 1.4E-12 @-210;\n BRO + BRO = BR2 # 2.9E-14 @-840;\n BRO + NO = BR + NO2 # 8.8E-12 @-260;\n BR + BRNO3 = BR2 + NO3 # 4.9E-11 @ 0;\n BR2 + OH = HOBR + BR # 2.1E-11 @-240;\n BRO + OH = BR + HO2 # 1.7E-11 @-250;\n BR + NO3 = BRO + NO2 # 1.6E-11 @ 0.0;\n BRO + NO2 = BRNO3 # 5.2E-31^-3.2@0.0 &\n 6.9E-12^-2.9@0.0 &\n 0.6 & 1.0;\n BR + NO2 = BRNO2 # 4.2E-31^-2.4@0.0 &\n 2.7E-11^0.0@0.0 &\n 0.6 & 1.0;\n BRO + CLO = BR + CL # 4.7E-12@-320;\n FORM + BR = HBR + HO2 + CO # 1.7E-11 @ 800;\n ALD2 + BR = HBR + C2O3 # 1.3E-11 @ 360;\n OLE + BR = FMBR + ALD2\n + XO2H\n - 1.0 * PAR\n + RO2 # 3.6E-12;\n ISOP + BR = FMBR + ISPD\n + 0.96 * XO2H\n + 0.04 * XO2N\n + RO2 # 5.0E-12;\n FMBR + OH = BR + CO # 5.0E-12;\n BRO + MEO2 = 0.8*HOBR + 0.2*BR\n + FORM # 2.7E-14 @-1600;\n MB3 + OH = 3*BR + CO # 1.0E-12 @ 388;\n MB2 + OH = 2*BR + HO2 + CO # 2.0E-12 @ 840;\n MB2C + OH = 2*BR + CL + CO # 9.0E-13 @ 420;\n MBC2 + OH = BR + 2*CL + CO # 9.4E-13 @ 510;\n MBC + OH = BR + CL + CO + HO2 # 2.1E-12 @ 880;\n DMS + BRO = 0.75*SO2 + 0.25*MSA\n + MEO2\n + BR # 1.50E-14@-1000;\n! phtolysis\n BR2 = 2*BR # 1.0/;\n HOBR = OH + BR # 1.0/;\n BRO = BR + O # 1.0/;\n BRNO2 = BR + NO2 # 1.0/;\n BRNO3 = BRO + NO2 # 1.0/;\n BRNO3 = BR + NO3 # 1.0/;\n BRCL = BR + CL # 1.0/;\n FMBR = BR + CO + HO2 # 1.0/;\n MB3 = 3*BR + HO2 + CO # 1.0/;\n MB2C = 2*BR + CL + HO2 + CO # 1.0/;\n MBC2 = BR + 2*CL + HO2 + CO # 1.0/;\n\n! Heterogeneous reactions\n BRNO3 = HOBR + HNO3 # 1.0~;\n BRNO3 = HOBR + HNO3 # 1.0~;\n HOBR + ACLJ = BRCL # 1.0~;\n HOBR + ABRJ = BR2 # 1.0~;\n BRNO3 + ACLJ = BRCL + HNO3 # 1.0~;\n BRNO3 + ABRJ = BR2 + HNO3 # 1.0~;\n BRNO2 + ACLJ = BRCL + HONO # 1.0~;\n BRNO2 + ABRJ = BR2 + HONO # 1.0~;\n\n! Heterogeneous reaction of HBR\n HBR = ABRJ # 1.0~;\n\n! Iodine chemistry\n\n I + O3 = IO # 2.10E-11 @ 830;\n I + HO2 = HI # 1.50E-11 @ 1090;\n I2 + OH = HOI + I # 2.10E-10;\n HI + OH = I # 1.60E-11 @ -440;\n HOI + OH = IO # 5.0E-12;\n IO + HO2 = HOI # 1.40E-11 @ -540;\n IO + NO = I + NO2 # 7.15E-12 @ -300;\n INO + INO = I2 + 2*NO # 8.40E-11 @ 2620;\n INO2 + INO2 = I2 + 2*NO2 # 4.7E-13 @ 1670;\n I2 + NO3 = I + INO3 # 1.50E-12;\n INO3 + I = I2 + NO3 # 9.10E-11 @ 146;\n I + BRO = IO + BR # 1.20E-11;\n IO + BR = I + BRO # 2.70E-11;\n IO + BRO = BR + I # 1.5E-11 @-510;\n IO + CLO = I + CL # 4.70E-12 @ -280;\n OIO + OIO = I2O4 # 1.50E-10 @ 0;\n OIO + NO = IO + NO2 # 1.10E-12 @ -542;\n IO + IO = 0.4*OIO + 0.4*I +\n 0.6*I2O2 # 5.40E-11 @ -180;\n IO + OIO = I2O3 # 1.50E-10 @ 0;\n I2O2 = OIO + I # 2.50E+14 @ 9770;\n I2O4 = 2*OIO # 3.80E-02 @ 0;\n INO2 = I + NO2 # 9.94E17 @ 11859;\n INO3 = IO + NO2 # 2.10E+15 @ 13670;\n I + NO = INO # 1.8E-32^-1.0 &\n 1.7E-11^0.0 &\n 0.60 & 1.0;\n I + NO2 = INO2 # 3.0E-31^-1.0 &\n 6.6E-11^0.00 &\n 0.63 & 1.0;\n IO + NO2 = INO3 # 7.7-31^-5.0 &\n 1.6E-11^0.0 &\n 0.40 & 1.0;\n CH3I + OH = I + FORM # 4.3E-12 @1120;\n DMS + IO = 0.75*SO2 + 0.25*MSA\n + MEO2\n + I # 3.3E-13@925;\n! phtolysis\n I2 = 2.0*I # 1.0/;\n HOI = I + OH # 1.0/;\n IO = I + O # 1.0/;\n OIO = I # 1.0/;\n INO = I + NO # 1.0/;\n INO2 = I + NO2 # 1.0/;\n INO3 = I + NO3 # 1.0/;\n I2O2 = I + OIO # 1.0/;\n I2O3 = IO + OIO # 1.0/;\n I2O4 = 2*OIO # 1.0/;\n ICL = I + CL # 1.0/;\n IBR = I + BR # 1.0/;\n CH3I = I + MEO2 # 1.0/;\n MI2 = 2.0*I + FORM # 1.0/;\n MIB = I + BR + FORM # 1.0/;\n MIC = I + CL + FORM # 1.0/;\n HOI + NO3 = IO + HNO3 # 2.7E-12 ^ -2.66;\n I2O2 = IO + IO # 1.00E+12 @ 9770;\n\n! heterogeneous reactions\n I2O2 = # 1.0~;\n I2O2 = # 1.0~;\n I2O3 = # 1.0~;\n I2O3 = # 1.0~;\n I2O4 = # 1.0~;\n I2O4 = # 1.0~;\n INO3 + ACLJ = ICL + HNO3 # 1.0~;\n INO3 + ABRJ = IBR + HNO3 # 1.0~;\n INO2 + ACLJ = ICL + HONO # 1.0~;\n INO2 + ABRJ = IBR + HONO # 1.0~;\n HOI + ACLJ = ICL # 1.0~;\n HOI + ABRJ = IBR # 1.0~;\n\n! DMS chemistry (IUPAC except DMS4 which is from Somariva and Glasow, 2012 )\n DMS + OH = SO2 + MEO2\n + FORM # 1.12E-11@250;\n DMS + OH = 0.75*SO2 + 0.25*MSA\n + MEO2 # 1.99E-39@-5270\n & 1.26E-10@+340 &1.0 &1;\n DMS + NO3 = SO2 + HNO3\n + MEO2\n + FORM # 1.9E-13@-520;\n DMS + CL = 0.86*SO2 + MEO2\n + 0.45*FORM\n + 0.45*HCL\n + 0.14*MSA\n + 0.55*CLO # 3.4E-13@-2081;\n DMS + CLO = 0.75*SO2 + 0.25*MSA\n + MEO2\n + CL # 1.7E-15@-340;\n\nEND MECH\n\nCONSTANTS\n ATM_AIR = 1.0E+06\n ATM_H2 = 0.56\n ATM_N2 = 0.7808E+06\n ATM_O2 = 0.2095E+06\n ATM_CH4 = 1.85\nEND CONSTANTS\n\n" }, { "path": "CCTM/src/MECHS/cb6r5m_ae7_aq/pa_cb6r5m_ae7_aq.ctl", "content": "! for CB6_cl2\n!\n!=======================================================================\n! IPR_OUTPUTS\n!=======================================================================\nIPR_OUTPUT O3 = CHEM+DDEP+CLDS+AERO+TRNM;\nIPR_OUTPUT HNO3 = CHEM+DDEP+CLDS+AERO;\nIPR_OUTPUT PAN = CHEM+DDEP+CLDS+AERO+TRNM;\nIPR_OUTPUT N2O5 = CHEM+DDEP+CLDS+AERO;\n\nDEFINE FAMILY EC = AECI + AECJ;\nIPR_OUTPUT EC = COAG + EMIS + HADV;\nIPR_OUTPUT ASO4J = COND + COAG + EMIS + CHEM + VDIF + CLDS;\nIPR_OUTPUT ASO4I = NPF + COND + COAG + EMIS + CHEM + VDIF +CLDS;\nIPR_OUTPUT NUMATKN;\n!IPR_OUTPUT NUMACC;\n!IPR_OUTPUT NUMCOR;\n!\nENDPA;\n" }, { "path": "CCTM/src/MECHS/cracmm1_aq/AE_cracmm1_aq.nml", "content": "&AE_nml\n\nAE_SPECIES_DATA = \n\n!SPECIES ,MOLWT ,Aitken ,Accum ,Coarse ,OPTICS ,IC ,IC_FAC ,BC ,BC_FAC ,DRYDEP SURR ,FAC ,WET-SCAV SURR,FAC ,AE2AQ SURR ,TRNS ,DDEP ,WDEP ,CONC,!RepCmp,ExplicitorLumped,DTXSID,SMILES\n'ASO4' , 96.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'SO4' , 1 ,'SO4' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Sulfate ion,L,DTXSID3042425,[O-]S(=O)(=O)[O-]\n'ANH4' , 18.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'NH4' , 1 ,'NH4' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Ammonium ion,E,DTXSID5043974,[NH4+]\n'ANO3' , 62.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'NO3' , 1 ,'NO3' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Nitrate ion,E,DTXSID5024217,[N+](=O)([O-])[O-]\n'ASOAT' ,200.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!3;4;5;6;7-Pentahydroxyheptan-2-one,L,DTXSID80956455,CC(=O)C(C(C(C(CO)O)O)O)O\n'AGLY' , 66.40 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!2-(4;5-dihydroxy-1;3-dioxolan-2-yl)-1;3-dioxolane-4;5-diol,L,NA,OC2OC(C1OC(O)C(O)O1)OC2O\n'AHOM' ,250.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!NA,NA,NA,NA\n'AELHOM' ,402.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!NA,NA,NA,NA\n'AORGC' ,177.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'AORGC' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!2-(4;5-dihydroxy-1;3-dioxolan-2-yl)-1;3-dioxolane-4;5-diol,L,NA,OC2OC(C1OC(O)C(O)O1)OC2O\n'AEC' , 12.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'EC' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Carbon,L,NA,[C]\n'AOTHR' ,200.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'PRI' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Unspeciated PM,L,NA,NA\n'AFE' , 55.80 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'FE' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Iron ion,E,DTXSID4042672,[Fe++]\n'AAL' , 27.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'PRI' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Aluminum ion,E,DTXSID70912343,[Al+3]\n'ASI' , 28.10 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'PRI' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Total Silicon,E,DTXSID0051441,[Si]\n'ATI' , 47.90 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'PRI' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Total Titanium,E,DTXSID3047764,[Ti]\n'ACA' , 40.10 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'CA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Calcium ion,E,DTXSID7037638,[Ca++]\n'AMG' , 24.30 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'MG' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Magnesium ion,E,NA,[Mg++]\n'AK' , 39.10 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'K' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Potassium ion,E,DTXSID9042671,[K+]\n'AMN' , 54.90 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'MN' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Manganese ions,L,DTXSID00167687,[Mn++]\n'ACORS' ,100.00 ,F ,F ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'ANTH' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Coarse PM,L,NA,NA\n'ASOIL' ,100.00 ,F ,F ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'SOIL' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Crustal species,L,NA,NA\n'NUM' , 1.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VNUM' , 1 ,'NUM' , 1 ,'NUM' ,'Yes' ,'' ,'' ,'Yes',!Number of particles,L,NA,NA\n'SRF' , 1.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VSRF' , 1 ,'SRF' , 1 ,'SRF' ,'Yes' ,'' ,'' ,'Yes',!Surface area of particles,L,NA,NA\n'AORGH2O' , 18.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'H2O' , 1 ,'H2O' ,'Yes' ,'' ,'' ,'Yes',!Water,E,DTXSID6026296,O\n'AH2O' , 18.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'H2O' , 1 ,'H2O' ,'Yes' ,'' ,'' ,'Yes',!Water,E,DTXSID6026296,O\n'AH3OP' , 19.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'' ,-1 ,'' ,'Yes' ,'' ,'' ,'Yes',!Hydronium ion,E,DTXSID20893597,[OH3+]\n'ANA' , 23.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'NA' , 1 ,'NA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Sodium ion,E,DTXSID8037671,[Na+]\n'ACL' , 35.50 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'CL' , 1 ,'CL' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Chloride ion,E,DTXSID6043969,[Cl-]\n'ASEACAT' , 23.75 ,F ,F ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'SEAS' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Coarse sea spray cations,L,NA,NA\n'APOC' ,220.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Organic carbon,L,NA,NA \n'APNCOM' ,220.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Non-carbon organic matter,L,NA,NA\n'AOP3' ,176.2 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!NA,NA,NA,NA\n'AROCN2ALK' ,422.83 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!NA,NA,NA,NA\n'AROCN1ALK' ,408.80 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!NA,NA,NA,NA\n'AROCP0ALK' ,394.77 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!NA,NA,NA,NA\n'AROCP1ALK' ,380.75 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!NA,NA,NA,NA\n'AROCP2ALK' ,338.66 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!NA,NA,NA,NA\n'AROCP3ALK' ,296.58 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!NA,NA,NA,NA\n'AROCN2OXY2',282.4 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!NA,NA,NA,NA\n'AROCN2OXY4',232.3 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!NA,NA,NA,NA\n'AROCN2OXY8',194.2 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!NA,NA,NA,NA\n'AROCN1OXY1',312.5 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!NA,NA,NA,NA\n'AROCN1OXY3',230.3 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!NA,NA,NA,NA\n'AROCN1OXY6',190.2 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!NA,NA,NA,NA\n'AROCP0OXY2',242.4 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!NA,NA,NA,NA\n'AROCP0OXY4',202.3 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!NA,NA,NA,NA\n'AROCP1OXY1',270.5 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!NA,NA,NA,NA\n'AROCP1OXY3',202.3 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!NA,NA,NA,NA\n'AROCP2OXY2',200.3 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!NA,NA,NA,NA\n'AROCP3OXY2',186.3 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!NA,NA,NA,NA\n'AISO3NOS' ,136.20 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!2-methylbutane-1;2;3;4-tetrol,L,NA,C(O)C(O)(C)C(O)CO\n'AISO3OS' ,216.20 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!(1;3;4-trihydroxy-2-methylbutan-2-yl)oxysulfonic acid,L,NA,C(O)C(OS(O)(=O)(=O))(C)C(O)CO\n/ \n" }, { "path": "CCTM/src/MECHS/cracmm1_aq/CMAQ_Control_DESID_cracmm1_aq.nml", "content": "!------------------------------------------------------------------------------!\n! Emission Control Interface !\n! for the !\n! Detailed Emissions Scaling, Isolation, and Diagnostics (DESID) Module, !\n! part of the !\n! Community Multiscale Air Quality (CMAQ) Model !\n! developed and maintained by the !\n! Center for Environmental Measurement and Modeling (CEMM), !\n! Office of Research and Development (ORD) !\n! U.S. Environmental Protection Agency (USEPA) !\n! !\n! This namelist is consistent with CMAQv5.4 (Release AUGUST 2022) !\n! !\n! See CMAQ User's Guide Appendix B (https://github.com/USEPA/CMAQ/blob/main/ !\n! DOCS/Users_Guide/Appendix/CMAQ_UG_appendixB_emissions_control.md) !\n! and Murphy et al., Geoscientific Model Development, 14, 3407-3420, !\n! https://doi.org/10.5194/gmd-14-3407-2021, 2021. !\n!------------------------------------------------------------------------------!\n\n!------------------------------------------------------------------------------!\n! Emissions Scaling Rule Specification Component !\n! Each rule is presented as a row of inputs. The syntax of the !\n! emissions scaling rules is the following: !\n! EM_INSTR(I) = 'Region Label', 'Stream Label', 'Emission-Species', !\n! 'CMAQ-Species', 'Phase/Mode', 'Scale Factor', 'Basis', !\n! 'Operation' !\n! !\n! See the User's Guide for detailed definitions of each field. !\n! !\n! You may confirm the effect of the (default and custom) rules below by !\n! inspecting the processor-dependent log files (\"CTM_LOG_XXX...\") !\n! !\n! Note: If no rules are provided for a species, then there is no emission !\n! of that species. !\n!------------------------------------------------------------------------------!\n&Desid_ScalingVars\n Desid_Max_Rules = 2500\n/\n\n&Desid_Scaling\n Desid_Rules_nml =\n ! Region | Stream Label |Emission | CMAQ- |Phase/|Scale |Basis |Op \n ! Label | |Surrogate| Species |Mode |Factor| | \n \n !> DEFAULT MAPPING Semivolatile POA - apply meat cooking profile by default for sources\n ! that are not treated with a specific volatility profile (GENERAL_POA family).\n ! Based on Woody et al., 2016: https://doi.org/10.5194/acp-16-4081-2016\n ! O:C Ratio of 0.1 (or lowest available OXY species) based on \n ! Mohr et al. 2009 https://pubs.acs.org/doi/10.1021/es8011518\n 'EVERYWHERE', 'GRIDDED_EMIS' ,'PMOCN2' ,'VROCN2OXY2' ,'GAS' ,0. ,'MASS','a', \n 'EVERYWHERE', 'GRIDDED_EMIS' ,'PMNCOMN2','VROCN2OXY2' ,'GAS' ,0. ,'MASS','a', \n 'EVERYWHERE', 'GRIDDED_EMIS' ,'PMOCN2' ,'VROCP0OXY2' ,'GAS' ,0.175,'MASS','a', \n 'EVERYWHERE', 'GRIDDED_EMIS' ,'PMNCOMN2','VROCP0OXY2' ,'GAS' ,0.175,'MASS','a', \n 'EVERYWHERE', 'GRIDDED_EMIS' ,'PMOCN2' ,'VROCP1OXY1' ,'GAS' ,0.091,'MASS','a', \n 'EVERYWHERE', 'GRIDDED_EMIS' ,'PMNCOMN2','VROCP1OXY1' ,'GAS' ,0.091,'MASS','a', \n 'EVERYWHERE', 'GRIDDED_EMIS' ,'PMOCN2' ,'VROCP2OXY2' ,'GAS' ,0.100,'MASS','a', \n 'EVERYWHERE', 'GRIDDED_EMIS' ,'PMNCOMN2','VROCP2OXY2' ,'GAS' ,0.100,'MASS','a', \n 'EVERYWHERE', 'GRIDDED_EMIS' ,'PMOCN2' ,'VROCP3OXY2' ,'GAS' ,0.100,'MASS','a', \n 'EVERYWHERE', 'GRIDDED_EMIS' ,'PMNCOMN2','VROCP3OXY2' ,'GAS' ,0.100,'MASS','a', \n 'EVERYWHERE', 'GRIDDED_EMIS' ,'PMOCN2' ,'AROCN2OXY2' ,'FINE',0.35 ,'MASS','a', \n 'EVERYWHERE', 'GRIDDED_EMIS' ,'PMNCOMN2','AROCN2OXY2' ,'FINE',0.35 ,'MASS','a', \n 'EVERYWHERE', 'GRIDDED_EMIS' ,'PMOCN2','AROCP0OXY2' ,'FINE',0.175,'MASS','a', \n 'EVERYWHERE', 'GRIDDED_EMIS' ,'PMNCOMN2','AROCP0OXY2' ,'FINE',0.175,'MASS','a', \n 'EVERYWHERE', 'GRIDDED_EMIS' ,'PMOCN2' ,'AROCP1OXY1' ,'FINE',0.009,'MASS','a', \n 'EVERYWHERE', 'GRIDDED_EMIS' ,'PMNCOMN2','AROCP1OXY1' ,'FINE',0.009,'MASS','a', \n 'EVERYWHERE', 'GRIDDED_EMIS' ,'PMOCN2' ,'AROCP2OXY2' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'GRIDDED_EMIS' ,'PMNCOMN2','AROCP2OXY2' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'GRIDDED_EMIS' ,'PMOCN2' ,'VROCP3OXY2' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'GRIDDED_EMIS' ,'PMNCOMN2','VROCP3OXY2' ,'FINE',0. ,'MASS','a', \n\n 'EVERYWHERE', 'PT_NONEGU' ,'PMOCN2' ,'VROCN2OXY2' ,'GAS' ,0. ,'MASS','a', \n 'EVERYWHERE', 'PT_NONEGU' ,'PMNCOMN2','VROCN2OXY2' ,'GAS' ,0. ,'MASS','a', \n 'EVERYWHERE', 'PT_NONEGU' ,'PMOCN2' ,'VROCP0OXY2' ,'GAS' ,0.175,'MASS','a', \n 'EVERYWHERE', 'PT_NONEGU' ,'PMNCOMN2','VROCP0OXY2' ,'GAS' ,0.175,'MASS','a', \n 'EVERYWHERE', 'PT_NONEGU' ,'PMOCN2' ,'VROCP1OXY1' ,'GAS' ,0.091,'MASS','a', \n 'EVERYWHERE', 'PT_NONEGU' ,'PMNCOMN2','VROCP1OXY1' ,'GAS' ,0.091,'MASS','a', \n 'EVERYWHERE', 'PT_NONEGU' ,'PMOCN2' ,'VROCP2OXY2' ,'GAS' ,0.100,'MASS','a', \n 'EVERYWHERE', 'PT_NONEGU' ,'PMNCOMN2','VROCP2OXY2' ,'GAS' ,0.100,'MASS','a', \n 'EVERYWHERE', 'PT_NONEGU' ,'PMOCN2' ,'VROCP3OXY2' ,'GAS' ,0.100,'MASS','a', \n 'EVERYWHERE', 'PT_NONEGU' ,'PMNCOMN2','VROCP3OXY2' ,'GAS' ,0.100,'MASS','a', \n 'EVERYWHERE', 'PT_NONEGU' ,'PMOCN2' ,'AROCN2OXY2' ,'FINE',0.35 ,'MASS','a', \n 'EVERYWHERE', 'PT_NONEGU' ,'PMNCOMN2','AROCN2OXY2' ,'FINE',0.35 ,'MASS','a', \n 'EVERYWHERE', 'PT_NONEGU' ,'PMOCN2','AROCP0OXY2' ,'FINE',0.175,'MASS','a', \n 'EVERYWHERE', 'PT_NONEGU' ,'PMNCOMN2','AROCP0OXY2' ,'FINE',0.175,'MASS','a', \n 'EVERYWHERE', 'PT_NONEGU' ,'PMOCN2' ,'AROCP1OXY1' ,'FINE',0.009,'MASS','a', \n 'EVERYWHERE', 'PT_NONEGU' ,'PMNCOMN2','AROCP1OXY1' ,'FINE',0.009,'MASS','a', \n 'EVERYWHERE', 'PT_NONEGU' ,'PMOCN2' ,'AROCP2OXY2' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'PT_NONEGU' ,'PMNCOMN2','AROCP2OXY2' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'PT_NONEGU' ,'PMOCN2' ,'VROCP3OXY2' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'PT_NONEGU' ,'PMNCOMN2','VROCP3OXY2' ,'FINE',0. ,'MASS','a', \n\n\n 'EVERYWHERE', 'PT_EGU' ,'PMOCN2' ,'VROCN2OXY2' ,'GAS' ,0. ,'MASS','a', \n 'EVERYWHERE', 'PT_EGU' ,'PMNCOMN2','VROCN2OXY2' ,'GAS' ,0. ,'MASS','a', \n 'EVERYWHERE', 'PT_EGU' ,'PMOCN2' ,'VROCP0OXY2' ,'GAS' ,0.175,'MASS','a', \n 'EVERYWHERE', 'PT_EGU' ,'PMNCOMN2','VROCP0OXY2' ,'GAS' ,0.175,'MASS','a', \n 'EVERYWHERE', 'PT_EGU' ,'PMOCN2' ,'VROCP1OXY1' ,'GAS' ,0.091,'MASS','a', \n 'EVERYWHERE', 'PT_EGU' ,'PMNCOMN2','VROCP1OXY1' ,'GAS' ,0.091,'MASS','a', \n 'EVERYWHERE', 'PT_EGU' ,'PMOCN2' ,'VROCP2OXY2' ,'GAS' ,0.100,'MASS','a', \n 'EVERYWHERE', 'PT_EGU' ,'PMNCOMN2','VROCP2OXY2' ,'GAS' ,0.100,'MASS','a', \n 'EVERYWHERE', 'PT_EGU' ,'PMOCN2' ,'VROCP3OXY2' ,'GAS' ,0.100,'MASS','a', \n 'EVERYWHERE', 'PT_EGU' ,'PMNCOMN2','VROCP3OXY2' ,'GAS' ,0.100,'MASS','a', \n 'EVERYWHERE', 'PT_EGU' ,'PMOCN2' ,'AROCN2OXY2' ,'FINE',0.35 ,'MASS','a', \n 'EVERYWHERE', 'PT_EGU' ,'PMNCOMN2','AROCN2OXY2' ,'FINE',0.35 ,'MASS','a', \n 'EVERYWHERE', 'PT_EGU' ,'PMOCN2','AROCP0OXY2' ,'FINE',0.175,'MASS','a', \n 'EVERYWHERE', 'PT_EGU' ,'PMNCOMN2','AROCP0OXY2' ,'FINE',0.175,'MASS','a', \n 'EVERYWHERE', 'PT_EGU' ,'PMOCN2' ,'AROCP1OXY1' ,'FINE',0.009,'MASS','a', \n 'EVERYWHERE', 'PT_EGU' ,'PMNCOMN2','AROCP1OXY1' ,'FINE',0.009,'MASS','a', \n 'EVERYWHERE', 'PT_EGU' ,'PMOCN2' ,'AROCP2OXY2' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'PT_EGU' ,'PMNCOMN2','AROCP2OXY2' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'PT_EGU' ,'PMOCN2' ,'VROCP3OXY2' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'PT_EGU' ,'PMNCOMN2','VROCP3OXY2' ,'FINE',0. ,'MASS','a', \n\n 'EVERYWHERE', 'PT_OTHER' ,'PMOCN2' ,'VROCN2OXY2' ,'GAS' ,0. ,'MASS','a', \n 'EVERYWHERE', 'PT_OTHER' ,'PMNCOMN2','VROCN2OXY2' ,'GAS' ,0. ,'MASS','a', \n 'EVERYWHERE', 'PT_OTHER' ,'PMOCN2' ,'VROCP0OXY2' ,'GAS' ,0.175,'MASS','a', \n 'EVERYWHERE', 'PT_OTHER' ,'PMNCOMN2','VROCP0OXY2' ,'GAS' ,0.175,'MASS','a', \n 'EVERYWHERE', 'PT_OTHER' ,'PMOCN2' ,'VROCP1OXY1' ,'GAS' ,0.091,'MASS','a', \n 'EVERYWHERE', 'PT_OTHER' ,'PMNCOMN2','VROCP1OXY1' ,'GAS' ,0.091,'MASS','a', \n 'EVERYWHERE', 'PT_OTHER' ,'PMOCN2' ,'VROCP2OXY2' ,'GAS' ,0.100,'MASS','a', \n 'EVERYWHERE', 'PT_OTHER' ,'PMNCOMN2','VROCP2OXY2' ,'GAS' ,0.100,'MASS','a', \n 'EVERYWHERE', 'PT_OTHER' ,'PMOCN2' ,'VROCP3OXY2' ,'GAS' ,0.100,'MASS','a', \n 'EVERYWHERE', 'PT_OTHER' ,'PMNCOMN2','VROCP3OXY2' ,'GAS' ,0.100,'MASS','a', \n 'EVERYWHERE', 'PT_OTHER' ,'PMOCN2' ,'AROCN2OXY2' ,'FINE',0.35 ,'MASS','a', \n 'EVERYWHERE', 'PT_OTHER' ,'PMNCOMN2','AROCN2OXY2' ,'FINE',0.35 ,'MASS','a', \n 'EVERYWHERE', 'PT_OTHER' ,'PMOCN2','AROCP0OXY2' ,'FINE',0.175,'MASS','a', \n 'EVERYWHERE', 'PT_OTHER' ,'PMNCOMN2','AROCP0OXY2' ,'FINE',0.175,'MASS','a', \n 'EVERYWHERE', 'PT_OTHER' ,'PMOCN2' ,'AROCP1OXY1' ,'FINE',0.009,'MASS','a', \n 'EVERYWHERE', 'PT_OTHER' ,'PMNCOMN2','AROCP1OXY1' ,'FINE',0.009,'MASS','a', \n 'EVERYWHERE', 'PT_OTHER' ,'PMOCN2' ,'AROCP2OXY2' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'PT_OTHER' ,'PMNCOMN2','AROCP2OXY2' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'PT_OTHER' ,'PMOCN2' ,'VROCP3OXY2' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'PT_OTHER' ,'PMNCOMN2','VROCP3OXY2' ,'FINE',0. ,'MASS','a', \n\n 'EVERYWHERE', 'PT_OILGAS' ,'PMOCN2' ,'VROCN2OXY2' ,'GAS' ,0. ,'MASS','a', \n 'EVERYWHERE', 'PT_OILGAS' ,'PMNCOMN2','VROCN2OXY2' ,'GAS' ,0. ,'MASS','a', \n 'EVERYWHERE', 'PT_OILGAS' ,'PMOCN2' ,'VROCP0OXY2' ,'GAS' ,0.175,'MASS','a', \n 'EVERYWHERE', 'PT_OILGAS' ,'PMNCOMN2','VROCP0OXY2' ,'GAS' ,0.175,'MASS','a', \n 'EVERYWHERE', 'PT_OILGAS' ,'PMOCN2' ,'VROCP1OXY1' ,'GAS' ,0.091,'MASS','a', \n 'EVERYWHERE', 'PT_OILGAS' ,'PMNCOMN2','VROCP1OXY1' ,'GAS' ,0.091,'MASS','a', \n 'EVERYWHERE', 'PT_OILGAS' ,'PMOCN2' ,'VROCP2OXY2' ,'GAS' ,0.100,'MASS','a', \n 'EVERYWHERE', 'PT_OILGAS' ,'PMNCOMN2','VROCP2OXY2' ,'GAS' ,0.100,'MASS','a', \n 'EVERYWHERE', 'PT_OILGAS' ,'PMOCN2' ,'VROCP3OXY2' ,'GAS' ,0.100,'MASS','a', \n 'EVERYWHERE', 'PT_OILGAS' ,'PMNCOMN2','VROCP3OXY2' ,'GAS' ,0.100,'MASS','a', \n 'EVERYWHERE', 'PT_OILGAS' ,'PMOCN2' ,'AROCN2OXY2' ,'FINE',0.35 ,'MASS','a', \n 'EVERYWHERE', 'PT_OILGAS' ,'PMNCOMN2','AROCN2OXY2' ,'FINE',0.35 ,'MASS','a', \n 'EVERYWHERE', 'PT_OILGAS' ,'PMOCN2','AROCP0OXY2' ,'FINE',0.175,'MASS','a', \n 'EVERYWHERE', 'PT_OILGAS' ,'PMNCOMN2','AROCP0OXY2' ,'FINE',0.175,'MASS','a', \n 'EVERYWHERE', 'PT_OILGAS' ,'PMOCN2' ,'AROCP1OXY1' ,'FINE',0.009,'MASS','a', \n 'EVERYWHERE', 'PT_OILGAS' ,'PMNCOMN2','AROCP1OXY1' ,'FINE',0.009,'MASS','a', \n 'EVERYWHERE', 'PT_OILGAS' ,'PMOCN2' ,'AROCP2OXY2' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'PT_OILGAS' ,'PMNCOMN2','AROCP2OXY2' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'PT_OILGAS' ,'PMOCN2' ,'VROCP3OXY2' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'PT_OILGAS' ,'PMNCOMN2','VROCP3OXY2' ,'FINE',0. ,'MASS','a', \n\n ! Diesel Family Volatility Distribution (Mostly Onroad and Offroad Sources and CMV)\n 'EVERYWHERE', 'PT_CMV_C1C2' ,'PMOCN2' ,'AROCN1ALK' ,'FINE',0.187,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C1C2' ,'PMNCOMN2','AROCN1ALK' ,'FINE',0.187,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C1C2' ,'PMOCN2' ,'AROCP0ALK' ,'FINE',0.043,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C1C2' ,'PMNCOMN2','AROCP0ALK' ,'FINE',0.043,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C1C2' ,'PMOCN2' ,'VROCP0ALK' ,'GAS' ,0.043,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C1C2' ,'PMNCOMN2','VROCP0ALK' ,'GAS' ,0.043,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C1C2' ,'PMOCN2' ,'VROCP1ALK' ,'GAS' ,0.364,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C1C2' ,'PMNCOMN2','VROCP1ALK' ,'GAS' ,0.364,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C1C2' ,'PMOCN2' ,'VROCP2ALK' ,'GAS' ,0.363,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C1C2' ,'PMNCOMN2','VROCP2ALK' ,'GAS' ,0.363,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C1C2' ,'PMOCN2' ,'VROCP3ALK' ,'GAS' ,0.0 ,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C1C2' ,'PMNCOMN2','VROCP3ALK' ,'GAS' ,0.0 ,'MASS','a',\n\n 'EVERYWHERE', 'PT_CMV_C1C2' ,'NMOG' ,'VROCP3ALK' ,'GAS' ,0.0536,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C1C2' ,'NMOG' ,'VROCP4ALK' ,'GAS' ,0.1486,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C1C2' ,'NMOG' ,'VROCP5ALK' ,'GAS' ,0.1869,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C1C2' ,'NMOG' ,'VROCP6ALK' ,'GAS' ,0.1588,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C1C2' ,'NMOG' ,'VROCP5ARO' ,'GAS' ,0.0043,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C1C2' ,'NMOG' ,'VROCP6ARO' ,'GAS' ,0.0025,'MASS','a',\n\n 'EVERYWHERE', 'PT_CMV_C3' ,'PMOCN2' ,'AROCN1ALK' ,'FINE',0.187,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C3' ,'PMNCOMN2','AROCN1ALK' ,'FINE',0.187,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C3' ,'PMOCN2' ,'AROCP0ALK' ,'FINE',0.043,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C3' ,'PMNCOMN2','AROCP0ALK' ,'FINE',0.043,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C3' ,'PMOCN2' ,'VROCP0ALK' ,'GAS' ,0.043,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C3' ,'PMNCOMN2','VROCP0ALK' ,'GAS' ,0.043,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C3' ,'PMOCN2' ,'VROCP1ALK' ,'GAS' ,0.364,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C3' ,'PMNCOMN2','VROCP1ALK' ,'GAS' ,0.364,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C3' ,'PMOCN2' ,'VROCP2ALK' ,'GAS' ,0.363,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C3' ,'PMNCOMN2','VROCP2ALK' ,'GAS' ,0.363,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C3' ,'PMOCN2' ,'VROCP3ALK' ,'GAS' ,0.0 ,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C3' ,'PMNCOMN2','VROCP3ALK' ,'GAS' ,0.0 ,'MASS','a',\n\n 'EVERYWHERE', 'PT_CMV_C3' ,'NMOG' ,'VROCP3ALK' ,'GAS' ,0.0536,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C3' ,'NMOG' ,'VROCP4ALK' ,'GAS' ,0.1486,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C3' ,'NMOG' ,'VROCP5ALK' ,'GAS' ,0.1869,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C3' ,'NMOG' ,'VROCP6ALK' ,'GAS' ,0.1588,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C3' ,'NMOG' ,'VROCP5ARO' ,'GAS' ,0.0043,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C3' ,'NMOG' ,'VROCP6ARO' ,'GAS' ,0.0025,'MASS','a',\n\n\n\n ! --> Semivolatile POA - Use Woody et al. 2016 biomass burning for Fires\n ! O:C ratio of 0.4 (or similar) used based on OM/OC of 1.7 and \n ! Canagaratna et al. 2015 ACP relationship (OM/OC =1.29*O:C+1.17)\n 'EVERYWHERE', 'PT_AGFIRES' ,'PMOCN2' ,'VROCN2OXY4' ,'GAS' ,0. ,'MASS','a', \n 'EVERYWHERE', 'PT_AGFIRES' ,'PMNCOMN2','VROCN2OXY4' ,'GAS' ,0. ,'MASS','a', \n 'EVERYWHERE', 'PT_AGFIRES' ,'PMOCN2' ,'VROCP0OXY4' ,'GAS' ,0.05 ,'MASS','a', \n 'EVERYWHERE', 'PT_AGFIRES' ,'PMNCOMN2','VROCP0OXY4' ,'GAS' ,0.05 ,'MASS','a', \n 'EVERYWHERE', 'PT_AGFIRES' ,'PMOCN2' ,'VROCP1OXY3' ,'GAS' ,0.091,'MASS','a', \n 'EVERYWHERE', 'PT_AGFIRES' ,'PMNCOMN2','VROCP1OXY3' ,'GAS' ,0.091,'MASS','a', \n 'EVERYWHERE', 'PT_AGFIRES' ,'PMOCN2' ,'VROCP2OXY2' ,'GAS' ,0.200,'MASS','a', \n 'EVERYWHERE', 'PT_AGFIRES' ,'PMNCOMN2','VROCP2OXY2' ,'GAS' ,0.200,'MASS','a', \n 'EVERYWHERE', 'PT_AGFIRES' ,'PMOCN2' ,'VROCP3OXY2' ,'GAS' ,0.400,'MASS','a', \n 'EVERYWHERE', 'PT_AGFIRES' ,'PMNCOMN2','VROCP3OXY2' ,'GAS' ,0.400,'MASS','a', \n 'EVERYWHERE', 'PT_AGFIRES' ,'PMOCN2' ,'AROCN2OXY4' ,'FINE',0.20 ,'MASS','a', \n 'EVERYWHERE', 'PT_AGFIRES' ,'PMNCOMN2','AROCN2OXY4' ,'FINE',0.20 ,'MASS','a', \n 'EVERYWHERE', 'PT_AGFIRES' ,'PMOCN2','AROCP0OXY4' ,'FINE',0.05 ,'MASS','a', \n 'EVERYWHERE', 'PT_AGFIRES' ,'PMNCOMN2','AROCP0OXY4' ,'FINE',0.05 ,'MASS','a', \n 'EVERYWHERE', 'PT_AGFIRES' ,'PMOCN2' ,'AROCP1OXY3' ,'FINE',0.009,'MASS','a', \n 'EVERYWHERE', 'PT_AGFIRES' ,'PMNCOMN2','AROCP1OXY3' ,'FINE',0.009,'MASS','a', \n 'EVERYWHERE', 'PT_AGFIRES' ,'PMOCN2' ,'AROCP2OXY2' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'PT_AGFIRES' ,'PMNCOMN2','AROCP2OXY2' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'PT_AGFIRES' ,'PMOCN2' ,'VROCP3OXY2' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'PT_AGFIRES' ,'PMNCOMN2','VROCP3OXY2' ,'FINE',0. ,'MASS','a',\n\n 'EVERYWHERE', 'PT_FIRES' ,'PMOCN2' ,'VROCN2OXY4' ,'GAS' ,0. ,'MASS','a', \n 'EVERYWHERE', 'PT_FIRES' ,'PMNCOMN2','VROCN2OXY4' ,'GAS' ,0. ,'MASS','a', \n 'EVERYWHERE', 'PT_FIRES' ,'PMOCN2' ,'VROCP0OXY4' ,'GAS' ,0.05 ,'MASS','a', \n 'EVERYWHERE', 'PT_FIRES' ,'PMNCOMN2','VROCP0OXY4' ,'GAS' ,0.05 ,'MASS','a', \n 'EVERYWHERE', 'PT_FIRES' ,'PMOCN2' ,'VROCP1OXY3' ,'GAS' ,0.091,'MASS','a', \n 'EVERYWHERE', 'PT_FIRES' ,'PMNCOMN2','VROCP1OXY3' ,'GAS' ,0.091,'MASS','a', \n 'EVERYWHERE', 'PT_FIRES' ,'PMOCN2' ,'VROCP2OXY2' ,'GAS' ,0.200,'MASS','a', \n 'EVERYWHERE', 'PT_FIRES' ,'PMNCOMN2','VROCP2OXY2' ,'GAS' ,0.200,'MASS','a', \n 'EVERYWHERE', 'PT_FIRES' ,'PMOCN2' ,'VROCP3OXY2' ,'GAS' ,0.400,'MASS','a', \n 'EVERYWHERE', 'PT_FIRES' ,'PMNCOMN2','VROCP3OXY2' ,'GAS' ,0.400,'MASS','a', \n 'EVERYWHERE', 'PT_FIRES' ,'PMOCN2' ,'AROCN2OXY4' ,'FINE',0.20 ,'MASS','a', \n 'EVERYWHERE', 'PT_FIRES' ,'PMNCOMN2','AROCN2OXY4' ,'FINE',0.20 ,'MASS','a', \n 'EVERYWHERE', 'PT_FIRES' ,'PMOCN2','AROCP0OXY4' ,'FINE',0.05 ,'MASS','a', \n 'EVERYWHERE', 'PT_FIRES' ,'PMNCOMN2','AROCP0OXY4' ,'FINE',0.05 ,'MASS','a', \n 'EVERYWHERE', 'PT_FIRES' ,'PMOCN2' ,'AROCP1OXY3' ,'FINE',0.009,'MASS','a', \n 'EVERYWHERE', 'PT_FIRES' ,'PMNCOMN2','AROCP1OXY3' ,'FINE',0.009,'MASS','a', \n 'EVERYWHERE', 'PT_FIRES' ,'PMOCN2' ,'AROCP2OXY2' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'PT_FIRES' ,'PMNCOMN2','AROCP2OXY2' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'PT_FIRES' ,'PMOCN2' ,'VROCP3OXY2' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'PT_FIRES' ,'PMNCOMN2','VROCP3OXY2' ,'FINE',0. ,'MASS','a',\n \n 'EVERYWHERE', 'PT_RXFIRES' ,'PMOCN2' ,'VROCN2OXY4' ,'GAS' ,0. ,'MASS','a', \n 'EVERYWHERE', 'PT_RXFIRES' ,'PMNCOMN2','VROCN2OXY4' ,'GAS' ,0. ,'MASS','a', \n 'EVERYWHERE', 'PT_RXFIRES' ,'PMOCN2' ,'VROCP0OXY4' ,'GAS' ,0.05 ,'MASS','a', \n 'EVERYWHERE', 'PT_RXFIRES' ,'PMNCOMN2','VROCP0OXY4' ,'GAS' ,0.05 ,'MASS','a', \n 'EVERYWHERE', 'PT_RXFIRES' ,'PMOCN2' ,'VROCP1OXY3' ,'GAS' ,0.091,'MASS','a', \n 'EVERYWHERE', 'PT_RXFIRES' ,'PMNCOMN2','VROCP1OXY3' ,'GAS' ,0.091,'MASS','a', \n 'EVERYWHERE', 'PT_RXFIRES' ,'PMOCN2' ,'VROCP2OXY2' ,'GAS' ,0.200,'MASS','a', \n 'EVERYWHERE', 'PT_RXFIRES' ,'PMNCOMN2','VROCP2OXY2' ,'GAS' ,0.200,'MASS','a', \n 'EVERYWHERE', 'PT_RXFIRES' ,'PMOCN2' ,'VROCP3OXY2' ,'GAS' ,0.400,'MASS','a', \n 'EVERYWHERE', 'PT_RXFIRES' ,'PMNCOMN2','VROCP3OXY2' ,'GAS' ,0.400,'MASS','a', \n 'EVERYWHERE', 'PT_RXFIRES' ,'PMOCN2' ,'AROCN2OXY4' ,'FINE',0.20 ,'MASS','a', \n 'EVERYWHERE', 'PT_RXFIRES' ,'PMNCOMN2','AROCN2OXY4' ,'FINE',0.20 ,'MASS','a', \n 'EVERYWHERE', 'PT_RXFIRES' ,'PMOCN2','AROCP0OXY4' ,'FINE',0.05 ,'MASS','a', \n 'EVERYWHERE', 'PT_RXFIRES' ,'PMNCOMN2','AROCP0OXY4' ,'FINE',0.05 ,'MASS','a', \n 'EVERYWHERE', 'PT_RXFIRES' ,'PMOCN2' ,'AROCP1OXY3' ,'FINE',0.009,'MASS','a', \n 'EVERYWHERE', 'PT_RXFIRES' ,'PMNCOMN2','AROCP1OXY3' ,'FINE',0.009,'MASS','a', \n 'EVERYWHERE', 'PT_RXFIRES' ,'PMOCN2' ,'AROCP2OXY2' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'PT_RXFIRES' ,'PMNCOMN2','AROCP2OXY2' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'PT_RXFIRES' ,'PMOCN2' ,'VROCP3OXY2' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'PT_RXFIRES' ,'PMNCOMN2','VROCP3OXY2' ,'FINE',0. ,'MASS','a',\n \n 'EVERYWHERE', 'PT_OTHFIRES' ,'PMOCN2' ,'VROCN2OXY4' ,'GAS' ,0. ,'MASS','a', \n 'EVERYWHERE', 'PT_OTHFIRES' ,'PMNCOMN2','VROCN2OXY4' ,'GAS' ,0. ,'MASS','a', \n 'EVERYWHERE', 'PT_OTHFIRES' ,'PMOCN2' ,'VROCP0OXY4' ,'GAS' ,0.05 ,'MASS','a', \n 'EVERYWHERE', 'PT_OTHFIRES' ,'PMNCOMN2','VROCP0OXY4' ,'GAS' ,0.05 ,'MASS','a', \n 'EVERYWHERE', 'PT_OTHFIRES' ,'PMOCN2' ,'VROCP1OXY3' ,'GAS' ,0.091,'MASS','a', \n 'EVERYWHERE', 'PT_OTHFIRES' ,'PMNCOMN2','VROCP1OXY3' ,'GAS' ,0.091,'MASS','a', \n 'EVERYWHERE', 'PT_OTHFIRES' ,'PMOCN2' ,'VROCP2OXY2' ,'GAS' ,0.200,'MASS','a', \n 'EVERYWHERE', 'PT_OTHFIRES' ,'PMNCOMN2','VROCP2OXY2' ,'GAS' ,0.200,'MASS','a', \n 'EVERYWHERE', 'PT_OTHFIRES' ,'PMOCN2' ,'VROCP3OXY2' ,'GAS' ,0.400,'MASS','a', \n 'EVERYWHERE', 'PT_OTHFIRES' ,'PMNCOMN2','VROCP3OXY2' ,'GAS' ,0.400,'MASS','a', \n 'EVERYWHERE', 'PT_OTHFIRES' ,'PMOCN2' ,'AROCN2OXY4' ,'FINE',0.20 ,'MASS','a', \n 'EVERYWHERE', 'PT_OTHFIRES' ,'PMNCOMN2','AROCN2OXY4' ,'FINE',0.20 ,'MASS','a', \n 'EVERYWHERE', 'PT_OTHFIRES' ,'PMOCN2','AROCP0OXY4' ,'FINE',0.05 ,'MASS','a', \n 'EVERYWHERE', 'PT_OTHFIRES' ,'PMNCOMN2','AROCP0OXY4' ,'FINE',0.05 ,'MASS','a', \n 'EVERYWHERE', 'PT_OTHFIRES' ,'PMOCN2' ,'AROCP1OXY3' ,'FINE',0.009,'MASS','a', \n 'EVERYWHERE', 'PT_OTHFIRES' ,'PMNCOMN2','AROCP1OXY3' ,'FINE',0.009,'MASS','a', \n 'EVERYWHERE', 'PT_OTHFIRES' ,'PMOCN2' ,'AROCP2OXY2' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'PT_OTHFIRES' ,'PMNCOMN2','AROCP2OXY2' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'PT_OTHFIRES' ,'PMOCN2' ,'VROCP3OXY2' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'PT_OTHFIRES' ,'PMNCOMN2','VROCP3OXY2' ,'FINE',0. ,'MASS','a',\n \n 'EVERYWHERE', 'GR_RES_FIRES' ,'PMOCN2' ,'VROCN2OXY4' ,'GAS' ,0. ,'MASS','a', \n 'EVERYWHERE', 'GR_RES_FIRES' ,'PMNCOMN2','VROCN2OXY4' ,'GAS' ,0. ,'MASS','a', \n 'EVERYWHERE', 'GR_RES_FIRES' ,'PMOCN2' ,'VROCP0OXY4' ,'GAS' ,0.05 ,'MASS','a', \n 'EVERYWHERE', 'GR_RES_FIRES' ,'PMNCOMN2','VROCP0OXY4' ,'GAS' ,0.05 ,'MASS','a', \n 'EVERYWHERE', 'GR_RES_FIRES' ,'PMOCN2' ,'VROCP1OXY3' ,'GAS' ,0.091,'MASS','a', \n 'EVERYWHERE', 'GR_RES_FIRES' ,'PMNCOMN2','VROCP1OXY3' ,'GAS' ,0.091,'MASS','a', \n 'EVERYWHERE', 'GR_RES_FIRES' ,'PMOCN2' ,'VROCP2OXY2' ,'GAS' ,0.200,'MASS','a', \n 'EVERYWHERE', 'GR_RES_FIRES' ,'PMNCOMN2','VROCP2OXY2' ,'GAS' ,0.200,'MASS','a', \n 'EVERYWHERE', 'GR_RES_FIRES' ,'PMOCN2' ,'VROCP3OXY2' ,'GAS' ,0.400,'MASS','a', \n 'EVERYWHERE', 'GR_RES_FIRES' ,'PMNCOMN2','VROCP3OXY2' ,'GAS' ,0.400,'MASS','a', \n 'EVERYWHERE', 'GR_RES_FIRES' ,'PMOCN2' ,'AROCN2OXY4' ,'FINE',0.20 ,'MASS','a', \n 'EVERYWHERE', 'GR_RES_FIRES' ,'PMNCOMN2','AROCN2OXY4' ,'FINE',0.20 ,'MASS','a', \n 'EVERYWHERE', 'GR_RES_FIRES' ,'PMOCN2','AROCP0OXY4' ,'FINE',0.05 ,'MASS','a', \n 'EVERYWHERE', 'GR_RES_FIRES' ,'PMNCOMN2','AROCP0OXY4' ,'FINE',0.05 ,'MASS','a', \n 'EVERYWHERE', 'GR_RES_FIRES' ,'PMOCN2' ,'AROCP1OXY3' ,'FINE',0.009,'MASS','a', \n 'EVERYWHERE', 'GR_RES_FIRES' ,'PMNCOMN2','AROCP1OXY3' ,'FINE',0.009,'MASS','a', \n 'EVERYWHERE', 'GR_RES_FIRES' ,'PMOCN2' ,'AROCP2OXY2' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'GR_RES_FIRES' ,'PMNCOMN2','AROCP2OXY2' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'GR_RES_FIRES' ,'PMOCN2' ,'VROCP3OXY2' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'GR_RES_FIRES' ,'PMNCOMN2','VROCP3OXY2' ,'FINE',0. ,'MASS','a',\n \n \n! ! Gasoline-Source Volatility Distribution (Mostly Onroad and Offroad Vehicles)\n! 'EVERYWHERE', 'GRIDDED_GASOLINE','PMOCN2' ,'AROCN1ALK' ,'FINE',0.228,'MASS','a', \n! 'EVERYWHERE', 'GRIDDED_GASOLINE','PMNCOMN2','AROCN1ALK' ,'FINE',0.228,'MASS','a', \n! 'EVERYWHERE', 'GRIDDED_GASOLINE','PMOCN2' ,'AROCP0ALK' ,'FINE',0.054,'MASS','a', \n! 'EVERYWHERE', 'GRIDDED_GASOLINE','PMNCOMN2','AROCP0ALK' ,'FINE',0.054,'MASS','a', \n! 'EVERYWHERE', 'GRIDDED_GASOLINE','PMOCN2' ,'VROCP0ALK' ,'GAS' ,0.054,'MASS','a', \n! 'EVERYWHERE', 'GRIDDED_GASOLINE','PMNCOMN2','VROCP0ALK' ,'GAS' ,0.054,'MASS','a', \n! 'EVERYWHERE', 'GRIDDED_GASOLINE','PMOCN2' ,'VROCP1ALK' ,'GAS' ,0.515,'MASS','a', \n! 'EVERYWHERE', 'GRIDDED_GASOLINE','PMNCOMN2','VROCP1ALK' ,'GAS' ,0.515,'MASS','a', \n! 'EVERYWHERE', 'GRIDDED_GASOLINE','PMOCN2' ,'VROCP2ALK' ,'GAS' ,0.550,'MASS','a', \n! 'EVERYWHERE', 'GRIDDED_GASOLINE','PMNCOMN2','VROCP2ALK' ,'GAS' ,0.550,'MASS','a', \n! 'EVERYWHERE', 'GRIDDED_GASOLINE','PMOCN2 ' ,'VROCP3ALK' ,'GAS' ,0.0 ,'MASS','a', \n! 'EVERYWHERE', 'GRIDDED_GASOLINE','PMNCOMN2','VROCP3ALK' ,'GAS' ,0.0 ,'MASS','a', \n!\n! 'EVERYWHERE', 'GRIDDED_GASOLINE','NMOG' ,'VROCP3ALK' ,'GAS' ,0.0032,'MASS','a',\n! 'EVERYWHERE', 'GRIDDED_GASOLINE','NMOG' ,'VROCP4ALK' ,'GAS' ,0.0034,'MASS','a',\n! 'EVERYWHERE', 'GRIDDED_GASOLINE','NMOG' ,'VROCP5ALK' ,'GAS' ,0.0019,'MASS','a',\n! 'EVERYWHERE', 'GRIDDED_GASOLINE','NMOG' ,'VROCP6ALK' ,'GAS' ,0.0064,'MASS','a',\n! 'EVERYWHERE', 'GRIDDED_GASOLINE','NMOG' ,'VROCP5ARO' ,'GAS' ,0.0060,'MASS','a',\n! 'EVERYWHERE', 'GRIDDED_GASOLINE','NMOG' ,'VROCP6ARO' ,'GAS' ,0.0253,'MASS','a',\n\n \n! ! Aircraft Family Turbine Engine Volatility Distribution\n! 'EVERYWHERE', 'AIRCRAFT' ,'PMOCN2' ,'AROCN1ALK' ,'FINE',0.149,'MASS','a', \n! 'EVERYWHERE', 'AIRCRAFT' ,'PMNCOMN2','AROCN1ALK' ,'FINE',0.149,'MASS','a', \n! 'EVERYWHERE', 'AIRCRAFT' ,'PMOCN2' ,'AROCP0ALK' ,'FINE',0.130,'MASS','a', \n! 'EVERYWHERE', 'AIRCRAFT' ,'PMNCOMN2','AROCP0ALK' ,'FINE',0.130,'MASS','a', \n! 'EVERYWHERE', 'AIRCRAFT' ,'PMOCN2' ,'VROCP0ALK' ,'GAS' ,0.130,'MASS','a', \n! 'EVERYWHERE', 'AIRCRAFT' ,'PMNCOMN2','VROCP0ALK' ,'GAS' ,0.130,'MASS','a', \n! 'EVERYWHERE', 'AIRCRAFT' ,'PMOCN2' ,'VROCP1ALK' ,'GAS' ,0.384,'MASS','a', \n! 'EVERYWHERE', 'AIRCRAFT' ,'PMNCOMN2','VROCP1ALK' ,'GAS' ,0.384,'MASS','a', \n! 'EVERYWHERE', 'AIRCRAFT' ,'PMOCN2' ,'VROCP2ALK' ,'GAS' ,0.208,'MASS','a', \n! 'EVERYWHERE', 'AIRCRAFT' ,'PMNCOMN2','VROCP2ALK' ,'GAS' ,0.208,'MASS','a', \n! 'EVERYWHERE', 'AIRCRAFT' ,'PMOCN2' ,'VROCP3ALK' ,'GAS' ,0.0 ,'MASS','a', \n! 'EVERYWHERE', 'AIRCRAFT' ,'PMNCOMN2','VROCP3ALK' ,'GAS' ,0.0 ,'MASS','a', \n\n ! Semivolatile POA from the inventory via SPECIATE and SMOKE.\n ! These species are not populated with mass for LISTOS, but in the future\n ! the following species will have mass. Map them for safety.\n 'EVERYWHERE', 'ALL' ,'POCN2' ,'AROCN2ALK' ,'FINE',1.0,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'POCN1' ,'AROCN1ALK' ,'FINE',1.0,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'POCP0' ,'AROCP0ALK' ,'FINE',1.0,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'POCP1' ,'AROCP1ALK' ,'FINE',1.0,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'POCP2' ,'AROCP2ALK' ,'FINE',1.0,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PNCOMN2' ,'AROCN2ALK' ,'FINE',1.0,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PNCOMN1' ,'AROCN1ALK' ,'FINE',1.0,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PNCOMP0' ,'AROCP0ALK' ,'FINE',1.0,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PNCOMP1' ,'AROCP1ALK' ,'FINE',1.0,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PNCOMP2' ,'AROCP2ALK' ,'FINE',1.0,'UNIT','a', \n\n ! pcSOA is a CMAQ species introduced to account for missing pathways for SOA\n ! formation from combustion sources. It includes IVOC oxidation as well as other\n ! phenomena (Murphy et al., ACP, 2017). It was parameterized primarily in LA,\n ! where vehicle exhaust continues to dominate.\n ! pcSOA is deprecated in CRACMM\n\n ! Wind-Blown Dust and Sea Spray Scaling\n ! Fine Components\n 'EVERYWHERE', 'ALL' ,'PMFINE_SO4' ,'ASO4' ,'FINE',1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'PMFINE_NO3' ,'ANO3' ,'FINE',1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'PMFINE_CL' ,'ACL' ,'FINE',1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'PMFINE_NH4' ,'ANH4' ,'FINE',1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'PMFINE_NA' ,'ANA' ,'FINE',1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'PMFINE_CA' ,'ACA' ,'FINE',1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'PMFINE_MG' ,'AMG' ,'FINE',1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'PMFINE_K' ,'AK' ,'FINE',1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'PMFINE_FE' ,'AFE' ,'FINE',1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'PMFINE_AL' ,'AAL' ,'FINE',1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'PMFINE_SI' ,'ASI' ,'FINE',1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'PMFINE_TI' ,'ATI' ,'FINE',1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'PMFINE_MN' ,'AMN' ,'FINE',1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'PMFINE_H2O' ,'AH2O' ,'FINE',1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'PMFINE_OTHR' ,'AOTHR' ,'FINE',1. ,'UNIT','a',\n\n\n ! Wind-Blown Dust and Sea Spray Scaling\n ! Coarse Components\n 'EVERYWHERE', 'ALL' ,'PMCOARSE_SO4','ASO4' ,'COARSE',1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'PMCOARSE_NO3','ANO3' ,'COARSE',1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'PMCOARSE_CL' ,'ACL' ,'COARSE',1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'PMCOARSE_H2O','AH2O' ,'COARSE',1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'PMCOARSE_SOIL','ASOIL' ,'COARSE',1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'PMCOARSE_SEACAT','ASEACAT' ,'COARSE',1. ,'UNIT','a',\n\n/\n" }, { "path": "CCTM/src/MECHS/cracmm1_aq/CSQY_DATA_cracmm1_aq", "content": "Table for Mechanism = CRACMM1_AQ \nNPHOTAB = 32\n!Individual rates listed below:\nO3O3P_NASA06 \nO3O1D_NASA06 \nH2O2_RACM2 \nNO2_RACM2 \nNO3NO_RACM2 \nNO3NO2_RACM2 \nHONO_RACM2 \nHNO3_RACM2 \nHNO4_RACM2 \nHCHO_MOL_JPL19 \nHCHO_RAD_JPL19 \nCH3CHO_RACM2 \nALD_JPL19 \nCH3COCH3A_JPL19 \nCH3COCH3B_JPL19 \nUALD_RACM2 \nMEK_JGR19 \nKET_JGR19 \nHKET_RACM2 \nMACR_RACM2 \nMVK_RACM2 \nGLYH2_RACM2 \nGLYF_RACM2 \nGLYHX_RACM2 \nMGLY_RACM2 \nBALD_RACM2 \nOP1_RACM2 \nPAA_RACM2 \nONIT_RACM2 \nPAN1_RACM2 \nPAN2_RACM2 \nACRO_09 \nNTEMP = 6\n! I TEMP( I ) K\n 1 210.00\n 2 230.00\n 3 250.00\n 4 270.00\n 5 290.00\n 6 310.00\n! Wavelength and Photolysis Rate Parameters for CMAQ In-Line Photolysis\n! calculation . The values are determined by averaging technique over the below\n! number of wavelength bins. The technique employs an approach used by the FASTJX\n! versions 6 and 7.\n!References:\n! 1) Bian, H. S. and Prather, M. J.: Fast-J2: accurate simulation of stratospheric\n! photolysis in global chemical models, J. Atmos. Chem., 41, 281-296\n doi:10.1023/A:1014980619462, 2002.\n! 2) Hsu, J. and Prather, M. J.: Stratospheric variability and tropospheric ozone,\n! J. Geophys. Res., 114, D06102, doi:10.1029/2008JD010942, 2009.\n! 3) Prather, M. J.: Fast-JX versions and utilities, available at:\n! http://www.ess.uci.edu/researchgrp/prather/scholar_software/fast-jx\n! (last accessed: 24 January 2014), 2014.\n! Wave bands and Solar Flux\n! \nN_INLINE_BAND = 7\n! I, START_WL_BIN(nm), EFFECT_WL_BIN_(nm), END_WL_BIN_(nm), photon_flux(cm-2*s-1), \n 1, 291.000, 294.590, 298.300, 5.8828E+14, \n 2, 298.300, 303.151, 307.500, 7.6354E+14, \n 3, 307.500, 310.007, 312.500, 5.0412E+14, \n 4, 312.500, 316.434, 320.300, 8.9628E+14, \n 5, 320.300, 333.076, 345.000, 3.8537E+15, \n 6, 345.000, 381.997, 412.500, 1.5457E+16, \n 7, 412.500, 607.723, 850.000, 2.1307E+17, \n!... CS = absorption cross sections averaged over UCI Solar Flux\n!... QY = quantum yields averaged over UCI Solar Flux\n!... EQY = eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n!PHOTAB QUANTITY TEMP WBIN( 1) WBIN( 2) WBIN( 3) WBIN( 4) WBIN( 5) WBIN( 6) WBIN( 7)\nO3O3P_NASA06 CS 210.000 7.688467E-19 2.422055E-19 8.920470E-20 3.650450E-20 4.746825E-21 6.139220E-23 1.666851E-21\nO3O3P_NASA06 EQY 210.000 1.000000E-01 1.041791E-01 4.952917E-01 8.153871E-01 8.979595E-01 9.291306E-01 1.000000E+00\nO3O3P_NASA06 CS 230.000 7.803585E-19 2.474376E-19 9.195177E-20 3.806528E-20 5.075878E-21 6.139220E-23 1.666851E-21\nO3O3P_NASA06 EQY 230.000 1.000000E-01 1.041791E-01 4.902279E-01 8.178273E-01 8.979595E-01 9.291306E-01 1.000000E+00\nO3O3P_NASA06 CS 250.000 7.995448E-19 2.561579E-19 9.653022E-20 4.066658E-20 5.624299E-21 6.139220E-23 1.666851E-21\nO3O3P_NASA06 EQY 250.000 1.000000E-01 1.041791E-01 4.818958E-01 8.188244E-01 8.979595E-01 9.291306E-01 1.000000E+00\nO3O3P_NASA06 CS 270.000 8.187311E-19 2.648782E-19 1.011087E-19 4.326788E-20 6.172721E-21 6.139220E-23 1.666851E-21\nO3O3P_NASA06 EQY 270.000 1.000000E-01 1.041791E-01 4.677566E-01 8.131744E-01 8.979595E-01 9.291306E-01 1.000000E+00\nO3O3P_NASA06 CS 290.000 8.379175E-19 2.735984E-19 1.056871E-19 4.586918E-20 6.721143E-21 6.139220E-23 1.666851E-21\nO3O3P_NASA06 EQY 290.000 1.000000E-01 1.041791E-01 4.431264E-01 7.889175E-01 8.979595E-01 9.291306E-01 1.000000E+00\nO3O3P_NASA06 CS 310.000 8.407954E-19 2.749065E-19 1.063739E-19 4.625938E-20 6.803406E-21 6.139220E-23 1.666851E-21\nO3O3P_NASA06 EQY 310.000 1.000000E-01 1.041791E-01 3.989815E-01 7.203341E-01 8.979595E-01 9.291306E-01 1.000000E+00\nO3O1D_NASA06 CS 210.000 7.808049E-19 2.423500E-19 8.920470E-20 3.650450E-20 4.604240E-21 5.459842E-23 0.000000E+00\nO3O1D_NASA06 EQY 210.000 9.000000E-01 8.958209E-01 5.047083E-01 1.846129E-01 1.020405E-01 7.086939E-02 0.000000E+00\nO3O1D_NASA06 CS 230.000 7.924958E-19 2.475853E-19 9.195177E-20 3.806528E-20 4.923409E-21 5.459842E-23 0.000000E+00\nO3O1D_NASA06 EQY 230.000 9.000000E-01 8.958209E-01 5.097721E-01 1.821727E-01 1.020405E-01 7.086939E-02 0.000000E+00\nO3O1D_NASA06 CS 250.000 8.119805E-19 2.563108E-19 9.653022E-20 4.066658E-20 5.455358E-21 5.459842E-23 0.000000E+00\nO3O1D_NASA06 EQY 250.000 9.000000E-01 8.958209E-01 5.181042E-01 1.811756E-01 1.020405E-01 7.086939E-02 0.000000E+00\nO3O1D_NASA06 CS 270.000 8.314653E-19 2.650363E-19 1.011087E-19 4.326788E-20 5.987306E-21 5.459842E-23 0.000000E+00\nO3O1D_NASA06 EQY 270.000 9.000000E-01 8.958209E-01 5.322434E-01 1.868256E-01 1.020405E-01 7.086939E-02 0.000000E+00\nO3O1D_NASA06 CS 290.000 8.509500E-19 2.737617E-19 1.056871E-19 4.586918E-20 6.519254E-21 5.459842E-23 0.000000E+00\nO3O1D_NASA06 EQY 290.000 9.000000E-01 8.958209E-01 5.568736E-01 2.110825E-01 1.020405E-01 7.086939E-02 0.000000E+00\nO3O1D_NASA06 CS 310.000 8.538727E-19 2.750705E-19 1.063739E-19 4.625938E-20 6.599046E-21 5.459842E-23 0.000000E+00\nO3O1D_NASA06 EQY 310.000 9.000000E-01 8.958209E-01 6.010185E-01 2.796659E-01 1.020405E-01 7.086939E-02 0.000000E+00\nH2O2_RACM2 CS 210.000 8.527608E-21 5.100901E-21 3.367998E-21 2.275936E-21 8.877982E-22 3.606306E-23 0.000000E+00\nH2O2_RACM2 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nH2O2_RACM2 CS 230.000 8.650794E-21 5.196512E-21 3.446407E-21 2.339455E-21 9.231624E-22 3.606306E-23 0.000000E+00\nH2O2_RACM2 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nH2O2_RACM2 CS 250.000 8.817123E-21 5.325610E-21 3.552278E-21 2.425221E-21 9.709122E-22 3.606306E-23 0.000000E+00\nH2O2_RACM2 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nH2O2_RACM2 CS 270.000 9.028511E-21 5.489680E-21 3.686830E-21 2.534221E-21 1.031598E-21 3.606306E-23 0.000000E+00\nH2O2_RACM2 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nH2O2_RACM2 CS 290.000 9.284830E-21 5.688624E-21 3.849979E-21 2.666389E-21 1.105182E-21 3.606306E-23 0.000000E+00\nH2O2_RACM2 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nH2O2_RACM2 CS 310.000 9.584270E-21 5.921037E-21 4.040577E-21 2.820792E-21 1.191145E-21 3.606306E-23 0.000000E+00\nH2O2_RACM2 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nNO2_RACM2 CS 210.000 1.058805E-19 1.460434E-19 1.905840E-19 2.362586E-19 3.715161E-19 5.867486E-19 1.088657E-19\nNO2_RACM2 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 7.961922E-01 2.423882E-03\nNO2_RACM2 CS 230.000 1.060328E-19 1.459734E-19 1.901860E-19 2.350003E-19 3.679235E-19 5.852241E-19 1.085850E-19\nNO2_RACM2 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 7.961922E-01 2.423882E-03\nNO2_RACM2 CS 250.000 1.063375E-19 1.458335E-19 1.893902E-19 2.324836E-19 3.607383E-19 5.821752E-19 1.080235E-19\nNO2_RACM2 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 7.969987E-01 2.507727E-03\nNO2_RACM2 CS 270.000 1.066422E-19 1.456936E-19 1.885943E-19 2.299669E-19 3.535530E-19 5.791262E-19 1.074620E-19\nNO2_RACM2 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 8.050633E-01 3.346181E-03\nNO2_RACM2 CS 290.000 1.069468E-19 1.455536E-19 1.877985E-19 2.274503E-19 3.463678E-19 5.760772E-19 1.069005E-19\nNO2_RACM2 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 8.131279E-01 4.184634E-03\nNO2_RACM2 CS 310.000 1.070078E-19 1.455256E-19 1.876393E-19 2.269469E-19 3.449308E-19 5.754674E-19 1.067882E-19\nNO2_RACM2 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 8.163537E-01 4.520015E-03\nNO3NO_RACM2 CS 210.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 5.348470E-21 1.872219E-18\nNO3NO_RACM2 EQY 210.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 6.767835E-02\nNO3NO_RACM2 CS 230.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 5.075907E-21 1.776809E-18\nNO3NO_RACM2 EQY 230.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 6.699507E-02\nNO3NO_RACM2 CS 250.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.791067E-21 1.677102E-18\nNO3NO_RACM2 EQY 250.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 6.679738E-02\nNO3NO_RACM2 CS 270.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.498338E-21 1.574633E-18\nNO3NO_RACM2 EQY 270.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 6.659967E-02\nNO3NO_RACM2 CS 290.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.201227E-21 1.470630E-18\nNO3NO_RACM2 EQY 290.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 6.640198E-02\nNO3NO_RACM2 CS 310.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 3.902507E-21 1.366063E-18\nNO3NO_RACM2 EQY 310.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 6.632289E-02\nNO3NO2_RACM2 CS 210.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 5.348470E-21 1.872219E-18\nNO3NO2_RACM2 EQY 210.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00 5.038201E-01\nNO3NO2_RACM2 CS 230.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 5.075907E-21 1.776809E-18\nNO3NO2_RACM2 EQY 230.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00 5.129623E-01\nNO3NO2_RACM2 CS 250.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.791067E-21 1.677102E-18\nNO3NO2_RACM2 EQY 250.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00 5.207280E-01\nNO3NO2_RACM2 CS 270.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.498338E-21 1.574633E-18\nNO3NO2_RACM2 EQY 270.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00 5.284936E-01\nNO3NO2_RACM2 CS 290.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.201227E-21 1.470630E-18\nNO3NO2_RACM2 EQY 290.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00 5.362592E-01\nNO3NO2_RACM2 CS 310.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 3.902507E-21 1.366063E-18\nNO3NO2_RACM2 EQY 310.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00 5.393655E-01\nHONO_RACM2 CS 210.000 5.628977E-21 9.694364E-21 1.881716E-20 2.969466E-20 7.453932E-20 6.563367E-20 0.000000E+00\nHONO_RACM2 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHONO_RACM2 CS 230.000 5.628977E-21 9.694364E-21 1.881716E-20 2.969466E-20 7.453932E-20 6.563367E-20 0.000000E+00\nHONO_RACM2 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHONO_RACM2 CS 250.000 5.628977E-21 9.694364E-21 1.881716E-20 2.969466E-20 7.453932E-20 6.563367E-20 0.000000E+00\nHONO_RACM2 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHONO_RACM2 CS 270.000 5.628977E-21 9.694364E-21 1.881716E-20 2.969466E-20 7.453932E-20 6.563367E-20 0.000000E+00\nHONO_RACM2 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHONO_RACM2 CS 290.000 5.628977E-21 9.694364E-21 1.881716E-20 2.969466E-20 7.453932E-20 6.563367E-20 0.000000E+00\nHONO_RACM2 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHONO_RACM2 CS 310.000 5.628977E-21 9.694364E-21 1.881716E-20 2.969466E-20 7.453932E-20 6.563367E-20 0.000000E+00\nHONO_RACM2 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHNO3_RACM2 CS 210.000 3.477740E-21 1.421362E-21 5.692533E-22 2.194328E-22 2.062589E-23 3.797806E-25 0.000000E+00\nHNO3_RACM2 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHNO3_RACM2 CS 230.000 3.663356E-21 1.522325E-21 6.201572E-22 2.451096E-22 2.494077E-23 3.837348E-25 0.000000E+00\nHNO3_RACM2 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHNO3_RACM2 CS 250.000 3.858879E-21 1.630460E-21 6.756130E-22 2.737909E-22 3.015831E-23 3.877301E-25 0.000000E+00\nHNO3_RACM2 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHNO3_RACM2 CS 270.000 4.064837E-21 1.746275E-21 7.360279E-22 3.058283E-22 3.646735E-23 3.917671E-25 0.000000E+00\nHNO3_RACM2 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHNO3_RACM2 CS 290.000 4.281789E-21 1.870318E-21 8.018451E-22 3.416145E-22 4.409623E-23 3.958460E-25 0.000000E+00\nHNO3_RACM2 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHNO3_RACM2 CS 310.000 4.510320E-21 2.003171E-21 8.735479E-22 3.815883E-22 5.332105E-23 3.999674E-25 0.000000E+00\nHNO3_RACM2 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHNO4_RACM2 CS 210.000 2.329949E-20 9.144530E-21 3.983048E-21 1.967534E-21 3.976035E-22 3.285247E-24 0.000000E+00\nHNO4_RACM2 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHNO4_RACM2 CS 230.000 2.378244E-20 9.477436E-21 4.200296E-21 2.110804E-21 4.511061E-22 4.554065E-24 0.000000E+00\nHNO4_RACM2 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHNO4_RACM2 CS 250.000 2.447801E-20 9.956912E-21 4.513192E-21 2.317151E-21 5.281641E-22 6.381496E-24 0.000000E+00\nHNO4_RACM2 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHNO4_RACM2 CS 270.000 2.541218E-20 1.060086E-20 4.933421E-21 2.594282E-21 6.316551E-22 8.835790E-24 0.000000E+00\nHNO4_RACM2 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHNO4_RACM2 CS 290.000 2.660059E-20 1.142006E-20 5.468013E-21 2.946832E-21 7.633113E-22 1.195802E-23 0.000000E+00\nHNO4_RACM2 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHNO4_RACM2 CS 310.000 2.804907E-20 1.241853E-20 6.119599E-21 3.376538E-21 9.237795E-22 1.576353E-23 0.000000E+00\nHNO4_RACM2 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHCHO_MOL_JPL19 CS 210.000 3.436202E-20 3.561495E-20 1.661439E-20 3.505164E-20 1.949427E-20 8.453695E-22 0.000000E+00\nHCHO_MOL_JPL19 EQY 210.000 2.573368E-01 2.406493E-01 2.610733E-01 3.312798E-01 6.395736E-01 3.544923E-01 0.000000E+00\nHCHO_MOL_JPL19 CS 230.000 3.432947E-20 3.561257E-20 1.660507E-20 3.507666E-20 1.950541E-20 8.448212E-22 0.000000E+00\nHCHO_MOL_JPL19 EQY 230.000 2.573368E-01 2.406493E-01 2.610733E-01 3.312798E-01 6.347457E-01 3.406936E-01 0.000000E+00\nHCHO_MOL_JPL19 CS 250.000 3.429692E-20 3.561019E-20 1.659575E-20 3.510169E-20 1.951654E-20 8.442728E-22 0.000000E+00\nHCHO_MOL_JPL19 EQY 250.000 2.573368E-01 2.406493E-01 2.610733E-01 3.312798E-01 6.247651E-01 3.155994E-01 0.000000E+00\nHCHO_MOL_JPL19 CS 270.000 3.426437E-20 3.560782E-20 1.658643E-20 3.512672E-20 1.952767E-20 8.437245E-22 0.000000E+00\nHCHO_MOL_JPL19 EQY 270.000 2.573368E-01 2.406493E-01 2.610733E-01 3.312798E-01 6.145213E-01 2.936854E-01 0.000000E+00\nHCHO_MOL_JPL19 CS 290.000 3.423181E-20 3.560544E-20 1.657710E-20 3.515175E-20 1.953881E-20 8.431761E-22 0.000000E+00\nHCHO_MOL_JPL19 EQY 290.000 2.573368E-01 2.406493E-01 2.610733E-01 3.312798E-01 6.040692E-01 2.744425E-01 0.000000E+00\nHCHO_MOL_JPL19 CS 310.000 3.421553E-20 3.560425E-20 1.657244E-20 3.516426E-20 1.954437E-20 8.429019E-22 0.000000E+00\nHCHO_MOL_JPL19 EQY 310.000 2.573368E-01 2.406493E-01 2.610733E-01 3.312798E-01 5.987564E-01 2.656473E-01 0.000000E+00\nHCHO_RAD_JPL19 CS 210.000 3.436202E-20 3.561495E-20 1.661439E-20 3.505164E-20 1.949427E-20 8.453695E-22 0.000000E+00\nHCHO_RAD_JPL19 EQY 210.000 7.308307E-01 7.593507E-01 7.389267E-01 6.687202E-01 2.626862E-01 0.000000E+00 0.000000E+00\nHCHO_RAD_JPL19 CS 230.000 3.432947E-20 3.561257E-20 1.660507E-20 3.507666E-20 1.950541E-20 8.448212E-22 0.000000E+00\nHCHO_RAD_JPL19 EQY 230.000 7.308307E-01 7.593507E-01 7.389267E-01 6.687202E-01 2.626862E-01 0.000000E+00 0.000000E+00\nHCHO_RAD_JPL19 CS 250.000 3.429692E-20 3.561019E-20 1.659575E-20 3.510169E-20 1.951654E-20 8.442728E-22 0.000000E+00\nHCHO_RAD_JPL19 EQY 250.000 7.308307E-01 7.593507E-01 7.389267E-01 6.687202E-01 2.626862E-01 0.000000E+00 0.000000E+00\nHCHO_RAD_JPL19 CS 270.000 3.426437E-20 3.560782E-20 1.658643E-20 3.512672E-20 1.952767E-20 8.437245E-22 0.000000E+00\nHCHO_RAD_JPL19 EQY 270.000 7.308307E-01 7.593507E-01 7.389267E-01 6.687202E-01 2.626862E-01 0.000000E+00 0.000000E+00\nHCHO_RAD_JPL19 CS 290.000 3.423181E-20 3.560544E-20 1.657710E-20 3.515175E-20 1.953881E-20 8.431761E-22 0.000000E+00\nHCHO_RAD_JPL19 EQY 290.000 7.308307E-01 7.593507E-01 7.389267E-01 6.687202E-01 2.626862E-01 0.000000E+00 0.000000E+00\nHCHO_RAD_JPL19 CS 310.000 3.421553E-20 3.560425E-20 1.657244E-20 3.516426E-20 1.954437E-20 8.429019E-22 0.000000E+00\nHCHO_RAD_JPL19 EQY 310.000 7.308307E-01 7.593507E-01 7.389267E-01 6.687202E-01 2.626862E-01 0.000000E+00 0.000000E+00\nCH3CHO_RACM2 CS 210.000 4.432880E-20 3.689178E-20 2.913527E-20 2.067145E-20 5.819010E-21 1.448852E-23 0.000000E+00\nCH3CHO_RACM2 EQY 210.000 4.909960E-01 3.900005E-01 2.794830E-01 1.560880E-01 3.457768E-02 0.000000E+00 0.000000E+00\nCH3CHO_RACM2 CS 230.000 4.432880E-20 3.689178E-20 2.913527E-20 2.067145E-20 5.819010E-21 1.448852E-23 0.000000E+00\nCH3CHO_RACM2 EQY 230.000 4.909960E-01 3.900005E-01 2.794830E-01 1.560880E-01 3.457768E-02 0.000000E+00 0.000000E+00\nCH3CHO_RACM2 CS 250.000 4.432880E-20 3.689178E-20 2.913527E-20 2.067145E-20 5.819010E-21 1.448852E-23 0.000000E+00\nCH3CHO_RACM2 EQY 250.000 4.909960E-01 3.900005E-01 2.794830E-01 1.560880E-01 3.457768E-02 0.000000E+00 0.000000E+00\nCH3CHO_RACM2 CS 270.000 4.432880E-20 3.689178E-20 2.913527E-20 2.067145E-20 5.819010E-21 1.448852E-23 0.000000E+00\nCH3CHO_RACM2 EQY 270.000 4.909960E-01 3.900005E-01 2.794830E-01 1.560880E-01 3.457768E-02 0.000000E+00 0.000000E+00\nCH3CHO_RACM2 CS 290.000 4.432880E-20 3.689178E-20 2.913527E-20 2.067145E-20 5.819010E-21 1.448852E-23 0.000000E+00\nCH3CHO_RACM2 EQY 290.000 4.909960E-01 3.900005E-01 2.794830E-01 1.560880E-01 3.457768E-02 0.000000E+00 0.000000E+00\nCH3CHO_RACM2 CS 310.000 4.432880E-20 3.689178E-20 2.913527E-20 2.067145E-20 5.819010E-21 1.448852E-23 0.000000E+00\nCH3CHO_RACM2 EQY 310.000 4.909960E-01 3.900005E-01 2.794830E-01 1.560880E-01 3.457768E-02 0.000000E+00 0.000000E+00\nALD_JPL19 CS 210.000 5.545019E-20 4.634689E-20 3.579653E-20 2.441742E-20 5.836673E-21 1.243216E-23 0.000000E+00\nALD_JPL19 EQY 210.000 7.650582E-01 4.959521E-01 3.110854E-01 1.880053E-01 5.620141E-02 3.880543E-04 0.000000E+00\nALD_JPL19 CS 230.000 5.545019E-20 4.634689E-20 3.579653E-20 2.441742E-20 5.836673E-21 1.243216E-23 0.000000E+00\nALD_JPL19 EQY 230.000 7.650582E-01 4.959521E-01 3.110854E-01 1.880053E-01 5.620141E-02 3.880543E-04 0.000000E+00\nALD_JPL19 CS 250.000 5.545019E-20 4.634689E-20 3.579653E-20 2.441742E-20 5.836673E-21 1.243216E-23 0.000000E+00\nALD_JPL19 EQY 250.000 7.650582E-01 4.959521E-01 3.110854E-01 1.880053E-01 5.620141E-02 3.880543E-04 0.000000E+00\nALD_JPL19 CS 270.000 5.545019E-20 4.634689E-20 3.579653E-20 2.441742E-20 5.836673E-21 1.243216E-23 0.000000E+00\nALD_JPL19 EQY 270.000 7.650582E-01 4.959521E-01 3.110854E-01 1.880053E-01 5.620141E-02 3.880543E-04 0.000000E+00\nALD_JPL19 CS 290.000 5.545019E-20 4.634689E-20 3.579653E-20 2.441742E-20 5.836673E-21 1.243216E-23 0.000000E+00\nALD_JPL19 EQY 290.000 7.650582E-01 4.959521E-01 3.110854E-01 1.880053E-01 5.620141E-02 3.880543E-04 0.000000E+00\nALD_JPL19 CS 310.000 5.545019E-20 4.634689E-20 3.579653E-20 2.441742E-20 5.836673E-21 1.243216E-23 0.000000E+00\nALD_JPL19 EQY 310.000 7.650582E-01 4.959521E-01 3.110854E-01 1.880053E-01 5.620141E-02 3.880543E-04 0.000000E+00\nCH3COCH3A_JPL19 CS 210.000 3.093982E-20 1.932871E-20 1.074082E-20 5.401566E-21 3.042770E-22 0.000000E+00 0.000000E+00\nCH3COCH3A_JPL19 EQY 210.000 3.050471E-01 8.750076E-02 1.202798E-02 1.958962E-03 1.000649E-04 0.000000E+00 0.000000E+00\nCH3COCH3A_JPL19 CS 230.000 3.149499E-20 2.006286E-20 1.149978E-20 5.882838E-21 3.324875E-22 0.000000E+00 0.000000E+00\nCH3COCH3A_JPL19 EQY 230.000 2.787375E-01 9.397311E-02 1.661723E-02 3.420933E-03 2.896750E-04 0.000000E+00 0.000000E+00\nCH3COCH3A_JPL19 CS 250.000 3.221698E-20 2.085074E-20 1.224359E-20 6.367100E-21 3.824558E-22 0.000000E+00 0.000000E+00\nCH3COCH3A_JPL19 EQY 250.000 2.691839E-01 1.077206E-01 2.349230E-02 5.851198E-03 7.538323E-04 0.000000E+00 0.000000E+00\nCH3COCH3A_JPL19 CS 270.000 3.310749E-20 2.165984E-20 1.292394E-20 6.826211E-21 4.569583E-22 0.000000E+00 0.000000E+00\nCH3COCH3A_JPL19 EQY 270.000 2.670556E-01 1.277864E-01 3.342436E-02 9.777799E-03 1.796207E-03 0.000000E+00 0.000000E+00\nCH3COCH3A_JPL19 CS 290.000 3.416823E-20 2.245764E-20 1.349254E-20 7.232033E-21 5.587719E-22 0.000000E+00 0.000000E+00\nCH3COCH3A_JPL19 EQY 290.000 2.665285E-01 1.530424E-01 4.715588E-02 1.588624E-02 3.968139E-03 0.000000E+00 0.000000E+00\nCH3COCH3A_JPL19 CS 310.000 3.540091E-20 2.321163E-20 1.390108E-20 7.556429E-21 6.906736E-22 0.000000E+00 0.000000E+00\nCH3COCH3A_JPL19 EQY 310.000 2.639931E-01 1.814900E-01 6.511231E-02 2.493997E-02 8.189921E-03 0.000000E+00 0.000000E+00\nCH3COCH3B_JPL19 CS 210.000 3.093982E-20 1.932871E-20 1.074082E-20 5.401566E-21 3.042770E-22 0.000000E+00 0.000000E+00\nCH3COCH3B_JPL19 EQY 210.000 3.229218E-04 7.721466E-05 2.367151E-05 8.249256E-06 9.221447E-07 0.000000E+00 0.000000E+00\nCH3COCH3B_JPL19 CS 230.000 3.149499E-20 2.006286E-20 1.149978E-20 5.882838E-21 3.324875E-22 0.000000E+00 0.000000E+00\nCH3COCH3B_JPL19 EQY 230.000 2.173083E-03 7.072018E-04 2.773263E-04 1.217087E-04 2.470983E-05 0.000000E+00 0.000000E+00\nCH3COCH3B_JPL19 CS 250.000 3.221698E-20 2.085074E-20 1.224359E-20 6.367100E-21 3.824558E-22 0.000000E+00 0.000000E+00\nCH3COCH3B_JPL19 EQY 250.000 8.847268E-03 3.614042E-03 1.697250E-03 8.814140E-04 2.763485E-04 0.000000E+00 0.000000E+00\nCH3COCH3B_JPL19 CS 270.000 3.310749E-20 2.165984E-20 1.292394E-20 6.826211E-21 4.569583E-22 0.000000E+00 0.000000E+00\nCH3COCH3B_JPL19 EQY 270.000 2.542563E-02 1.237548E-02 6.667331E-03 3.932365E-03 1.708441E-03 0.000000E+00 0.000000E+00\nCH3COCH3B_JPL19 CS 290.000 3.416823E-20 2.245764E-20 1.349254E-20 7.232033E-21 5.587719E-22 0.000000E+00 0.000000E+00\nCH3COCH3B_JPL19 EQY 290.000 5.670215E-02 3.177502E-02 1.909137E-02 1.244460E-02 6.963594E-03 0.000000E+00 0.000000E+00\nCH3COCH3B_JPL19 CS 310.000 3.540091E-20 2.321163E-20 1.390108E-20 7.556429E-21 6.906736E-22 0.000000E+00 0.000000E+00\nCH3COCH3B_JPL19 EQY 310.000 1.044077E-01 6.573535E-02 4.320569E-02 3.056103E-02 2.096195E-02 0.000000E+00 0.000000E+00\nUALD_RACM2 CS 210.000 2.726167E-20 3.900286E-20 4.799106E-20 5.560386E-20 5.993363E-20 1.199965E-20 0.000000E+00\nUALD_RACM2 EQY 210.000 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 0.000000E+00\nUALD_RACM2 CS 230.000 2.726167E-20 3.900286E-20 4.799106E-20 5.560386E-20 5.993363E-20 1.199965E-20 0.000000E+00\nUALD_RACM2 EQY 230.000 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 0.000000E+00\nUALD_RACM2 CS 250.000 2.726167E-20 3.900286E-20 4.799106E-20 5.560386E-20 5.993363E-20 1.199965E-20 0.000000E+00\nUALD_RACM2 EQY 250.000 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 0.000000E+00\nUALD_RACM2 CS 270.000 2.726167E-20 3.900286E-20 4.799106E-20 5.560386E-20 5.993363E-20 1.199965E-20 0.000000E+00\nUALD_RACM2 EQY 270.000 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 0.000000E+00\nUALD_RACM2 CS 290.000 2.726167E-20 3.900286E-20 4.799106E-20 5.560386E-20 5.993363E-20 1.199965E-20 0.000000E+00\nUALD_RACM2 EQY 290.000 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 0.000000E+00\nUALD_RACM2 CS 310.000 2.726167E-20 3.900286E-20 4.799106E-20 5.560386E-20 5.993363E-20 1.199965E-20 0.000000E+00\nUALD_RACM2 EQY 310.000 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 0.000000E+00\nMEK_JGR19 CS 210.000 4.136901E-20 2.660165E-20 1.555986E-20 7.628035E-21 7.691484E-22 0.000000E+00 0.000000E+00\nMEK_JGR19 EQY 210.000 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 0.000000E+00 0.000000E+00\nMEK_JGR19 CS 230.000 4.136901E-20 2.660165E-20 1.555986E-20 7.628035E-21 7.691484E-22 0.000000E+00 0.000000E+00\nMEK_JGR19 EQY 230.000 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 0.000000E+00 0.000000E+00\nMEK_JGR19 CS 250.000 4.136901E-20 2.660165E-20 1.555986E-20 7.628035E-21 7.691484E-22 0.000000E+00 0.000000E+00\nMEK_JGR19 EQY 250.000 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 0.000000E+00 0.000000E+00\nMEK_JGR19 CS 270.000 4.136901E-20 2.660165E-20 1.555986E-20 7.628035E-21 7.691484E-22 0.000000E+00 0.000000E+00\nMEK_JGR19 EQY 270.000 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 0.000000E+00 0.000000E+00\nMEK_JGR19 CS 290.000 4.136901E-20 2.660165E-20 1.555986E-20 7.628035E-21 7.691484E-22 0.000000E+00 0.000000E+00\nMEK_JGR19 EQY 290.000 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 0.000000E+00 0.000000E+00\nMEK_JGR19 CS 310.000 4.136901E-20 2.660165E-20 1.555986E-20 7.628035E-21 7.691484E-22 0.000000E+00 0.000000E+00\nMEK_JGR19 EQY 310.000 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 0.000000E+00 0.000000E+00\nKET_JGR19 CS 210.000 4.752487E-20 3.017679E-20 1.668608E-20 8.110916E-21 7.302181E-22 0.000000E+00 0.000000E+00\nKET_JGR19 EQY 210.000 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 0.000000E+00 0.000000E+00\nKET_JGR19 CS 230.000 4.752487E-20 3.017679E-20 1.668608E-20 8.110916E-21 7.302181E-22 0.000000E+00 0.000000E+00\nKET_JGR19 EQY 230.000 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 0.000000E+00 0.000000E+00\nKET_JGR19 CS 250.000 4.752487E-20 3.017679E-20 1.668608E-20 8.110916E-21 7.302181E-22 0.000000E+00 0.000000E+00\nKET_JGR19 EQY 250.000 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 0.000000E+00 0.000000E+00\nKET_JGR19 CS 270.000 4.752487E-20 3.017679E-20 1.668608E-20 8.110916E-21 7.302181E-22 0.000000E+00 0.000000E+00\nKET_JGR19 EQY 270.000 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 0.000000E+00 0.000000E+00\nKET_JGR19 CS 290.000 4.752487E-20 3.017679E-20 1.668608E-20 8.110916E-21 7.302181E-22 0.000000E+00 0.000000E+00\nKET_JGR19 EQY 290.000 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 0.000000E+00 0.000000E+00\nKET_JGR19 CS 310.000 4.752487E-20 3.017679E-20 1.668608E-20 8.110916E-21 7.302181E-22 0.000000E+00 0.000000E+00\nKET_JGR19 EQY 310.000 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 0.000000E+00 0.000000E+00\nHKET_RACM2 CS 210.000 1.992923E-20 7.535076E-21 2.932970E-21 1.413067E-21 3.523287E-22 0.000000E+00 0.000000E+00\nHKET_RACM2 EQY 210.000 6.500000E-01 6.500000E-01 6.500000E-01 6.500000E-01 6.500000E-01 0.000000E+00 0.000000E+00\nHKET_RACM2 CS 230.000 1.992923E-20 7.535076E-21 2.932970E-21 1.413067E-21 3.523287E-22 0.000000E+00 0.000000E+00\nHKET_RACM2 EQY 230.000 6.500000E-01 6.500000E-01 6.500000E-01 6.500000E-01 6.500000E-01 0.000000E+00 0.000000E+00\nHKET_RACM2 CS 250.000 1.992923E-20 7.535076E-21 2.932970E-21 1.413067E-21 3.523287E-22 0.000000E+00 0.000000E+00\nHKET_RACM2 EQY 250.000 6.500000E-01 6.500000E-01 6.500000E-01 6.500000E-01 6.500000E-01 0.000000E+00 0.000000E+00\nHKET_RACM2 CS 270.000 1.992923E-20 7.535076E-21 2.932970E-21 1.413067E-21 3.523287E-22 0.000000E+00 0.000000E+00\nHKET_RACM2 EQY 270.000 6.500000E-01 6.500000E-01 6.500000E-01 6.500000E-01 6.500000E-01 0.000000E+00 0.000000E+00\nHKET_RACM2 CS 290.000 1.992923E-20 7.535076E-21 2.932970E-21 1.413067E-21 3.523287E-22 0.000000E+00 0.000000E+00\nHKET_RACM2 EQY 290.000 6.500000E-01 6.500000E-01 6.500000E-01 6.500000E-01 6.500000E-01 0.000000E+00 0.000000E+00\nHKET_RACM2 CS 310.000 1.992923E-20 7.535076E-21 2.932970E-21 1.413067E-21 3.523287E-22 0.000000E+00 0.000000E+00\nHKET_RACM2 EQY 310.000 6.500000E-01 6.500000E-01 6.500000E-01 6.500000E-01 6.500000E-01 0.000000E+00 0.000000E+00\nMACR_RACM2 CS 210.000 2.653810E-20 3.941266E-20 4.989643E-20 5.893396E-20 6.529031E-20 1.389067E-20 0.000000E+00\nMACR_RACM2 EQY 210.000 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 0.000000E+00\nMACR_RACM2 CS 230.000 2.653810E-20 3.941266E-20 4.989643E-20 5.893396E-20 6.529031E-20 1.389067E-20 0.000000E+00\nMACR_RACM2 EQY 230.000 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 0.000000E+00\nMACR_RACM2 CS 250.000 2.653810E-20 3.941266E-20 4.989643E-20 5.893396E-20 6.529031E-20 1.389067E-20 0.000000E+00\nMACR_RACM2 EQY 250.000 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 0.000000E+00\nMACR_RACM2 CS 270.000 2.653810E-20 3.941266E-20 4.989643E-20 5.893396E-20 6.529031E-20 1.389067E-20 0.000000E+00\nMACR_RACM2 EQY 270.000 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 0.000000E+00\nMACR_RACM2 CS 290.000 2.653810E-20 3.941266E-20 4.989643E-20 5.893396E-20 6.529031E-20 1.389067E-20 0.000000E+00\nMACR_RACM2 EQY 290.000 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 0.000000E+00\nMACR_RACM2 CS 310.000 2.653810E-20 3.941266E-20 4.989643E-20 5.893396E-20 6.529031E-20 1.389067E-20 0.000000E+00\nMACR_RACM2 EQY 310.000 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 0.000000E+00\nMVK_RACM2 CS 210.000 3.026195E-20 4.372470E-20 5.436504E-20 6.304111E-20 6.815623E-20 1.494179E-20 0.000000E+00\nMVK_RACM2 EQY 210.000 1.750145E-02 1.106229E-02 7.572843E-03 5.008090E-03 2.251655E-03 4.698719E-04 0.000000E+00\nMVK_RACM2 CS 230.000 3.026195E-20 4.372470E-20 5.436504E-20 6.304111E-20 6.815623E-20 1.494179E-20 0.000000E+00\nMVK_RACM2 EQY 230.000 1.750145E-02 1.106229E-02 7.572843E-03 5.008090E-03 2.251655E-03 4.698719E-04 0.000000E+00\nMVK_RACM2 CS 250.000 3.026195E-20 4.372470E-20 5.436504E-20 6.304111E-20 6.815623E-20 1.494179E-20 0.000000E+00\nMVK_RACM2 EQY 250.000 1.750145E-02 1.106229E-02 7.572843E-03 5.008090E-03 2.251655E-03 4.698719E-04 0.000000E+00\nMVK_RACM2 CS 270.000 3.026195E-20 4.372470E-20 5.436504E-20 6.304111E-20 6.815623E-20 1.494179E-20 0.000000E+00\nMVK_RACM2 EQY 270.000 1.750145E-02 1.106229E-02 7.572843E-03 5.008090E-03 2.251655E-03 4.698719E-04 0.000000E+00\nMVK_RACM2 CS 290.000 3.026195E-20 4.372470E-20 5.436504E-20 6.304111E-20 6.815623E-20 1.494179E-20 0.000000E+00\nMVK_RACM2 EQY 290.000 1.750145E-02 1.106229E-02 7.572843E-03 5.008090E-03 2.251655E-03 4.698719E-04 0.000000E+00\nMVK_RACM2 CS 310.000 3.026195E-20 4.372470E-20 5.436504E-20 6.304111E-20 6.815623E-20 1.494179E-20 0.000000E+00\nMVK_RACM2 EQY 310.000 1.750145E-02 1.106229E-02 7.572843E-03 5.008090E-03 2.251655E-03 4.698719E-04 0.000000E+00\nGLYH2_RACM2 CS 210.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYH2_RACM2 EQY 210.000 2.083945E-01 1.741676E-01 1.458094E-01 1.226219E-01 7.896682E-02 4.675626E-04 0.000000E+00\nGLYH2_RACM2 CS 230.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYH2_RACM2 EQY 230.000 2.083945E-01 1.741676E-01 1.458094E-01 1.226219E-01 7.896682E-02 4.675626E-04 0.000000E+00\nGLYH2_RACM2 CS 250.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYH2_RACM2 EQY 250.000 2.083945E-01 1.741676E-01 1.458094E-01 1.226219E-01 7.896682E-02 4.675626E-04 0.000000E+00\nGLYH2_RACM2 CS 270.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYH2_RACM2 EQY 270.000 2.083945E-01 1.741676E-01 1.458094E-01 1.226219E-01 7.896682E-02 4.675626E-04 0.000000E+00\nGLYH2_RACM2 CS 290.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYH2_RACM2 EQY 290.000 2.083945E-01 1.741676E-01 1.458094E-01 1.226219E-01 7.896682E-02 4.675626E-04 0.000000E+00\nGLYH2_RACM2 CS 310.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYH2_RACM2 EQY 310.000 2.083945E-01 1.741676E-01 1.458094E-01 1.226219E-01 7.896682E-02 4.675626E-04 0.000000E+00\nGLYF_RACM2 CS 210.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYF_RACM2 EQY 210.000 4.492523E-01 4.582704E-01 4.575158E-01 4.464855E-01 3.643574E-01 9.914810E-03 6.082142E-05\nGLYF_RACM2 CS 230.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYF_RACM2 EQY 230.000 4.492523E-01 4.582704E-01 4.575158E-01 4.464855E-01 3.643574E-01 9.914810E-03 6.082142E-05\nGLYF_RACM2 CS 250.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYF_RACM2 EQY 250.000 4.492523E-01 4.582704E-01 4.575158E-01 4.464855E-01 3.643574E-01 9.914810E-03 6.082142E-05\nGLYF_RACM2 CS 270.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYF_RACM2 EQY 270.000 4.492523E-01 4.582704E-01 4.575158E-01 4.464855E-01 3.643574E-01 9.914810E-03 6.082142E-05\nGLYF_RACM2 CS 290.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYF_RACM2 EQY 290.000 4.492523E-01 4.582704E-01 4.575158E-01 4.464855E-01 3.643574E-01 9.914810E-03 6.082142E-05\nGLYF_RACM2 CS 310.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYF_RACM2 EQY 310.000 4.492523E-01 4.582704E-01 4.575158E-01 4.464855E-01 3.643574E-01 9.914810E-03 6.082142E-05\nGLYHX_RACM2 CS 210.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYHX_RACM2 EQY 210.000 3.424615E-01 3.676233E-01 3.968463E-01 4.307733E-01 5.451978E-01 6.424549E-02 3.251833E-03\nGLYHX_RACM2 CS 230.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYHX_RACM2 EQY 230.000 3.424615E-01 3.676233E-01 3.968463E-01 4.307733E-01 5.451978E-01 6.424549E-02 3.251833E-03\nGLYHX_RACM2 CS 250.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYHX_RACM2 EQY 250.000 3.424615E-01 3.676233E-01 3.968463E-01 4.307733E-01 5.451978E-01 6.424549E-02 3.251833E-03\nGLYHX_RACM2 CS 270.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYHX_RACM2 EQY 270.000 3.424615E-01 3.676233E-01 3.968463E-01 4.307733E-01 5.451978E-01 6.424549E-02 3.251833E-03\nGLYHX_RACM2 CS 290.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYHX_RACM2 EQY 290.000 3.424615E-01 3.676233E-01 3.968463E-01 4.307733E-01 5.451978E-01 6.424549E-02 3.251833E-03\nGLYHX_RACM2 CS 310.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYHX_RACM2 EQY 310.000 3.424615E-01 3.676233E-01 3.968463E-01 4.307733E-01 5.451978E-01 6.424549E-02 3.251833E-03\nMGLY_RACM2 CS 210.000 4.369065E-20 3.468163E-20 2.431083E-20 1.791723E-20 6.182988E-21 3.703444E-20 7.886681E-21\nMGLY_RACM2 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 6.094060E-01 1.339466E-01\nMGLY_RACM2 CS 230.000 4.369065E-20 3.468163E-20 2.431083E-20 1.791723E-20 6.182988E-21 3.703444E-20 7.886681E-21\nMGLY_RACM2 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 6.094060E-01 1.339466E-01\nMGLY_RACM2 CS 250.000 4.369065E-20 3.468163E-20 2.431083E-20 1.791723E-20 6.182988E-21 3.703444E-20 7.886681E-21\nMGLY_RACM2 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 6.094060E-01 1.339466E-01\nMGLY_RACM2 CS 270.000 4.369065E-20 3.468163E-20 2.431083E-20 1.791723E-20 6.182988E-21 3.703444E-20 7.886681E-21\nMGLY_RACM2 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 6.094060E-01 1.339466E-01\nMGLY_RACM2 CS 290.000 4.369065E-20 3.468163E-20 2.431083E-20 1.791723E-20 6.182988E-21 3.703444E-20 7.886681E-21\nMGLY_RACM2 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 6.094060E-01 1.339466E-01\nMGLY_RACM2 CS 310.000 4.369065E-20 3.468163E-20 2.431083E-20 1.791723E-20 6.182988E-21 3.703444E-20 7.886681E-21\nMGLY_RACM2 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 6.094060E-01 1.339466E-01\nBALD_RACM2 CS 210.000 4.785295E-19 7.446018E-20 7.090561E-20 8.511820E-20 9.190661E-20 1.652288E-20 0.000000E+00\nBALD_RACM2 EQY 210.000 6.000000E-02 6.000000E-02 6.000000E-02 6.000000E-02 6.000000E-02 5.654883E-02 0.000000E+00\nBALD_RACM2 CS 230.000 4.785295E-19 7.446018E-20 7.090561E-20 8.511820E-20 9.190661E-20 1.652288E-20 0.000000E+00\nBALD_RACM2 EQY 230.000 6.000000E-02 6.000000E-02 6.000000E-02 6.000000E-02 6.000000E-02 5.654883E-02 0.000000E+00\nBALD_RACM2 CS 250.000 4.785295E-19 7.446018E-20 7.090561E-20 8.511820E-20 9.190661E-20 1.652288E-20 0.000000E+00\nBALD_RACM2 EQY 250.000 6.000000E-02 6.000000E-02 6.000000E-02 6.000000E-02 6.000000E-02 5.654883E-02 0.000000E+00\nBALD_RACM2 CS 270.000 4.785295E-19 7.446018E-20 7.090561E-20 8.511820E-20 9.190661E-20 1.652288E-20 0.000000E+00\nBALD_RACM2 EQY 270.000 6.000000E-02 6.000000E-02 6.000000E-02 6.000000E-02 6.000000E-02 5.654883E-02 0.000000E+00\nBALD_RACM2 CS 290.000 4.785295E-19 7.446018E-20 7.090561E-20 8.511820E-20 9.190661E-20 1.652288E-20 0.000000E+00\nBALD_RACM2 EQY 290.000 6.000000E-02 6.000000E-02 6.000000E-02 6.000000E-02 6.000000E-02 5.654883E-02 0.000000E+00\nBALD_RACM2 CS 310.000 4.785295E-19 7.446018E-20 7.090561E-20 8.511820E-20 9.190661E-20 1.652288E-20 0.000000E+00\nBALD_RACM2 EQY 310.000 6.000000E-02 6.000000E-02 6.000000E-02 6.000000E-02 6.000000E-02 5.654883E-02 0.000000E+00\nOP1_RACM2 CS 210.000 5.502859E-21 3.521580E-21 2.407395E-21 1.698535E-21 7.264998E-22 4.583933E-23 0.000000E+00\nOP1_RACM2 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nOP1_RACM2 CS 230.000 5.502859E-21 3.521580E-21 2.407395E-21 1.698535E-21 7.264998E-22 4.583933E-23 0.000000E+00\nOP1_RACM2 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nOP1_RACM2 CS 250.000 5.502859E-21 3.521580E-21 2.407395E-21 1.698535E-21 7.264998E-22 4.583933E-23 0.000000E+00\nOP1_RACM2 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nOP1_RACM2 CS 270.000 5.502859E-21 3.521580E-21 2.407395E-21 1.698535E-21 7.264998E-22 4.583933E-23 0.000000E+00\nOP1_RACM2 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nOP1_RACM2 CS 290.000 5.502859E-21 3.521580E-21 2.407395E-21 1.698535E-21 7.264998E-22 4.583933E-23 0.000000E+00\nOP1_RACM2 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nOP1_RACM2 CS 310.000 5.502859E-21 3.521580E-21 2.407395E-21 1.698535E-21 7.264998E-22 4.583933E-23 0.000000E+00\nOP1_RACM2 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nPAA_RACM2 CS 210.000 1.925838E-21 1.009150E-21 5.907156E-22 3.670602E-22 1.041377E-22 0.000000E+00 0.000000E+00\nPAA_RACM2 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nPAA_RACM2 CS 230.000 1.925838E-21 1.009150E-21 5.907156E-22 3.670602E-22 1.041377E-22 0.000000E+00 0.000000E+00\nPAA_RACM2 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nPAA_RACM2 CS 250.000 1.925838E-21 1.009150E-21 5.907156E-22 3.670602E-22 1.041377E-22 0.000000E+00 0.000000E+00\nPAA_RACM2 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nPAA_RACM2 CS 270.000 1.925838E-21 1.009150E-21 5.907156E-22 3.670602E-22 1.041377E-22 0.000000E+00 0.000000E+00\nPAA_RACM2 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nPAA_RACM2 CS 290.000 1.925838E-21 1.009150E-21 5.907156E-22 3.670602E-22 1.041377E-22 0.000000E+00 0.000000E+00\nPAA_RACM2 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nPAA_RACM2 CS 310.000 1.925838E-21 1.009150E-21 5.907156E-22 3.670602E-22 1.041377E-22 0.000000E+00 0.000000E+00\nPAA_RACM2 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nONIT_RACM2 CS 210.000 9.713560E-21 4.546408E-21 2.120818E-21 9.214405E-22 1.152105E-22 1.219897E-24 0.000000E+00\nONIT_RACM2 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nONIT_RACM2 CS 230.000 9.713560E-21 4.546408E-21 2.120818E-21 9.214405E-22 1.152105E-22 1.219897E-24 0.000000E+00\nONIT_RACM2 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nONIT_RACM2 CS 250.000 1.018927E-20 4.819206E-21 2.272045E-21 1.003918E-21 1.288490E-22 1.219897E-24 0.000000E+00\nONIT_RACM2 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nONIT_RACM2 CS 270.000 1.121172E-20 5.414893E-21 2.607618E-21 1.191682E-21 1.611607E-22 1.219897E-24 0.000000E+00\nONIT_RACM2 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nONIT_RACM2 CS 290.000 1.233676E-20 6.084210E-21 2.992754E-21 1.414564E-21 2.015753E-22 1.219897E-24 0.000000E+00\nONIT_RACM2 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nONIT_RACM2 CS 310.000 1.357470E-20 6.836260E-21 3.434773E-21 1.679132E-21 2.521246E-22 1.219897E-24 0.000000E+00\nONIT_RACM2 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nPAN1_RACM2 CS 210.000 1.768018E-21 6.646887E-22 3.009928E-22 1.566195E-22 3.492933E-23 1.494937E-24 0.000000E+00\nPAN1_RACM2 EQY 210.000 8.000000E-01 8.000000E-01 6.922216E-01 6.000000E-01 6.000000E-01 6.000000E-01 0.000000E+00\nPAN1_RACM2 CS 230.000 2.071785E-21 7.907078E-22 3.614192E-22 1.899570E-22 4.384918E-23 1.511154E-24 0.000000E+00\nPAN1_RACM2 EQY 230.000 8.000000E-01 8.000000E-01 6.922216E-01 6.000000E-01 6.000000E-01 6.000000E-01 0.000000E+00\nPAN1_RACM2 CS 250.000 2.427744E-21 9.406189E-22 4.339766E-22 2.303907E-22 5.504689E-23 1.527546E-24 0.000000E+00\nPAN1_RACM2 EQY 250.000 8.000000E-01 8.000000E-01 6.922216E-01 6.000000E-01 6.000000E-01 6.000000E-01 0.000000E+00\nPAN1_RACM2 CS 270.000 2.844861E-21 1.118952E-21 5.211004E-22 2.794310E-22 6.910414E-23 1.544117E-24 0.000000E+00\nPAN1_RACM2 EQY 270.000 8.000000E-01 8.000000E-01 6.922216E-01 6.000000E-01 6.000000E-01 6.000000E-01 0.000000E+00\nPAN1_RACM2 CS 290.000 3.333644E-21 1.331095E-21 6.257149E-22 3.389099E-22 8.675118E-23 1.560867E-24 0.000000E+00\nPAN1_RACM2 EQY 290.000 8.000000E-01 8.000000E-01 6.922216E-01 6.000000E-01 6.000000E-01 6.000000E-01 0.000000E+00\nPAN1_RACM2 CS 310.000 3.906406E-21 1.583459E-21 7.513316E-22 4.110492E-22 1.089047E-22 1.577798E-24 0.000000E+00\nPAN1_RACM2 EQY 310.000 8.000000E-01 8.000000E-01 6.922216E-01 6.000000E-01 6.000000E-01 6.000000E-01 0.000000E+00\nPAN2_RACM2 CS 210.000 1.768018E-21 6.646887E-22 3.009928E-22 1.566195E-22 3.492933E-23 1.494937E-24 0.000000E+00\nPAN2_RACM2 EQY 210.000 2.000000E-01 2.000000E-01 3.077784E-01 4.000000E-01 4.000000E-01 4.000000E-01 0.000000E+00\nPAN2_RACM2 CS 230.000 2.071785E-21 7.907078E-22 3.614192E-22 1.899570E-22 4.384918E-23 1.511154E-24 0.000000E+00\nPAN2_RACM2 EQY 230.000 2.000000E-01 2.000000E-01 3.077784E-01 4.000000E-01 4.000000E-01 4.000000E-01 0.000000E+00\nPAN2_RACM2 CS 250.000 2.427744E-21 9.406189E-22 4.339766E-22 2.303907E-22 5.504689E-23 1.527546E-24 0.000000E+00\nPAN2_RACM2 EQY 250.000 2.000000E-01 2.000000E-01 3.077784E-01 4.000000E-01 4.000000E-01 4.000000E-01 0.000000E+00\nPAN2_RACM2 CS 270.000 2.844861E-21 1.118952E-21 5.211004E-22 2.794310E-22 6.910414E-23 1.544117E-24 0.000000E+00\nPAN2_RACM2 EQY 270.000 2.000000E-01 2.000000E-01 3.077784E-01 4.000000E-01 4.000000E-01 4.000000E-01 0.000000E+00\nPAN2_RACM2 CS 290.000 3.333644E-21 1.331095E-21 6.257149E-22 3.389099E-22 8.675118E-23 1.560867E-24 0.000000E+00\nPAN2_RACM2 EQY 290.000 2.000000E-01 2.000000E-01 3.077784E-01 4.000000E-01 4.000000E-01 4.000000E-01 0.000000E+00\nPAN2_RACM2 CS 310.000 3.906406E-21 1.583459E-21 7.513316E-22 4.110492E-22 1.089047E-22 1.577798E-24 0.000000E+00\nPAN2_RACM2 EQY 310.000 2.000000E-01 2.000000E-01 3.077784E-01 4.000000E-01 4.000000E-01 4.000000E-01 0.000000E+00\nACRO_09 CS 210.000 1.856128E-20 2.787986E-20 3.602616E-20 4.321518E-20 5.371941E-20 1.543856E-20 0.000000E+00\nACRO_09 EQY 210.000 5.269045E-02 3.293790E-02 2.264026E-02 1.595375E-02 6.767500E-03 1.624741E-03 0.000000E+00\nACRO_09 CS 230.000 1.856128E-20 2.787986E-20 3.602616E-20 4.321518E-20 5.371941E-20 1.543856E-20 0.000000E+00\nACRO_09 EQY 230.000 5.269045E-02 3.293790E-02 2.264026E-02 1.595375E-02 6.767500E-03 1.624741E-03 0.000000E+00\nACRO_09 CS 250.000 1.856128E-20 2.787986E-20 3.602616E-20 4.321518E-20 5.371941E-20 1.543856E-20 0.000000E+00\nACRO_09 EQY 250.000 5.269045E-02 3.293790E-02 2.264026E-02 1.595375E-02 6.767500E-03 1.624741E-03 0.000000E+00\nACRO_09 CS 270.000 1.856128E-20 2.787986E-20 3.602616E-20 4.321518E-20 5.371941E-20 1.543856E-20 0.000000E+00\nACRO_09 EQY 270.000 5.269045E-02 3.293790E-02 2.264026E-02 1.595375E-02 6.767500E-03 1.624741E-03 0.000000E+00\nACRO_09 CS 290.000 1.856128E-20 2.787986E-20 3.602616E-20 4.321518E-20 5.371941E-20 1.543856E-20 0.000000E+00\nACRO_09 EQY 290.000 5.269045E-02 3.293790E-02 2.264026E-02 1.595375E-02 6.767500E-03 1.624741E-03 0.000000E+00\nACRO_09 CS 310.000 1.856128E-20 2.787986E-20 3.602616E-20 4.321518E-20 5.371941E-20 1.543856E-20 0.000000E+00\nACRO_09 EQY 310.000 5.269045E-02 3.293790E-02 2.264026E-02 1.595375E-02 6.767500E-03 1.624741E-03 0.000000E+00\n! Ozone Cross-Section for Stratospheric Opacity based on Table 4-5 in\n! Chemical Kinetics and Photochemical Data for Use in Atmospheric\n! Studies Evaluation Number 15. Sander et. al: NASA-JPL 2006 \nNTEMP_STRAT = 6\n! QUANTITY TEMP WBIN( 1) WBIN( 2) WBIN( 3) WBIN( 4) WBIN( 5) WBIN( 6) WBIN( 7)\nO3_STRAT CS 180.000 6.113743E-19 2.263004E-19 8.354117E-20 3.417408E-20 3.688351E-21 4.086261E-23 1.663175E-21\nO3_STRAT CS 260.000 6.434133E-19 2.434104E-19 9.254548E-20 3.928807E-20 4.583227E-21 4.086261E-23 1.663175E-21\nO3_STRAT CS 300.000 6.685868E-19 2.568540E-19 9.962031E-20 4.330621E-20 5.286344E-21 4.086261E-23 1.663175E-21\nO3_STRAT CS 340.000 6.685868E-19 2.568540E-19 9.962031E-20 4.330621E-20 5.286344E-21 4.086261E-23 1.663175E-21\nO3_STRAT CS 380.000 6.685868E-19 2.568540E-19 9.962031E-20 4.330621E-20 5.286344E-21 4.086261E-23 1.663175E-21\nO3_STRAT CS 420.000 6.685868E-19 2.568540E-19 9.962031E-20 4.330621E-20 5.286344E-21 4.086261E-23 1.663175E-21\n" }, { "path": "CCTM/src/MECHS/cracmm1_aq/GC_cracmm1_aq.nml", "content": "&GC_nml\n\nGC_SPECIES_DATA = \n\n!SPECIES ,MOLWT ,IC ,IC_FAC ,BC ,BC_FAC ,DRYDEP SURR ,FAC ,WET-SCAV SURR ,FAC ,GC2AE SURR ,GC2AQ SURR,TRNS ,DDEP ,WDEP ,CONC ,!RepCmp,ExplicitorLumped,DTXSID,SMILES\n'O3' , 48.0 ,'' ,-1 ,'' ,-1 ,'VD_O3' , 1 ,'O3' , 1 ,'' ,'O3' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Ozone,E,DTXSID0021098,[O-][O+]=O\n'O3P' , 16.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!Ground state oxygen,E,DTXSID00170378,[O]\n'O1D' , 16.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!Excited oxygen,E,DTXSID00170378,[O]\n'H2O2' , 34.0 ,'' ,-1 ,'' ,-1 ,'VD_H2O2' , 1 ,'H2O2' , 1 ,'' ,'H2O2' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Hydrogen peroxide,E,DTXSID2020715,OO\n'HO' , 17.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'OH' ,'HO' ,'' ,'' ,'' ,'Yes',!Hydroxyl radical,E,NA,[OH]\n'NO2' , 46.0 ,'' ,-1 ,'' ,-1 ,'VD_NO2' , 1 ,'NO2' , 1 ,'NO2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Nitrogen dioxide,E,DTXSID7020974,N(=O)[O]\n'NO' , 30.0 ,'' ,-1 ,'' ,-1 ,'VD_NO' , 1 ,'NO' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Nitric oxide,E,DTXSID1020938,[N]=O\n'NO3' , 62.0 ,'' ,-1 ,'' ,-1 ,'VD_NO3' , 1 ,'NO3' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Nitrate radical,E,NA,[O]N(=O)=O\n'HONO' , 47.0 ,'' ,-1 ,'' ,-1 ,'VD_HONO' , 1 ,'HNO2' , 1 ,'HONO' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Nitrous acid,E,DTXSID7064813,N(=O)O\n'HNO3' , 63.0 ,'' ,-1 ,'' ,-1 ,'VD_HNO3' , 1 ,'HNO3' , 1 ,'HNO3' ,'HNO3' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Nitric acid,E,DTXSID5029685,[N+](=O)(O)[O-]\n'HNO4' , 79.0 ,'' ,-1 ,'' ,-1 ,'VD_PNA' , 1 ,'HNO4' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Hydroxy nitrate,E,DTXSID201030501,[N+](=O)([O-])OO\n'HO2' , 33.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!Hydroperoxy,E,DTXSID30894777,O[O-]\n'HCHO' , 30.0 ,'' ,-1 ,'' ,-1 ,'VD_HCHO' , 1 ,'FORMALDEHYDE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Formaldehyde,E,DTXSID7020637,C=O\n'CO' , 28.0 ,'' ,-1 ,'' ,-1 ,'VD_CO' , 1 ,'CO' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Carbon monoxide,E,DTXSID5027273,[C-]#[O+]\n'ACD' , 44.0 ,'' ,-1 ,'' ,-1 ,'VD_ACD' , 1 ,'ACETALDEHYDE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Acetaldehyde,E,DTXSID5039224,CC=O\n'MO2' , 47.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!Methylperoxy,E,DTXSID10944007,CO[O]\n'ALD' , 58.0 ,'' ,-1 ,'' ,-1 ,'VD_ALD' , 1 ,'GENERIC_ALDEHYDE', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Propanal,L,DTXSID2021658,CCC=O\n'ETHP' , 61.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!Ethylperoxy,L,DTXSID90953652,CCO[O]\n'ACT' , 58.0 ,'' ,-1 ,'' ,-1 ,'VD_ACT' , 1 ,'ACETONE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Acetone,E,DTXSID8021482,CC(C)=O\n'ACO3' , 75.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!Acetylperoxy,E,DTXSID40957943,CC(=O)O[O]\n'UALD' , 84.1 ,'' ,-1 ,'' ,-1 ,'VD_UALD' , 1 ,'UALDOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!2-Methylbut-2-enal,L,DTXSID00859414,CC=C(C)C=O\n'KET' , 86.0 ,'' ,-1 ,'' ,-1 ,'VD_KET' , 1 ,'DIETHYLKETONE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Diethylketone,L,DTXSID6021820,CCC(=O)CC\n'MEK' , 72.1 ,'' ,-1 ,'' ,-1 ,'VD_MEK' , 1 ,'MEK' , 1 ,'' ,'' ,'Yes' ,'Yes','Yes' ,'Yes',!Methyl ethyl ketone,E,DTXSID3021516,CCC(C)=O\n'HKET' , 74.0 ,'' ,-1 ,'' ,-1 ,'VD_HKET' , 1 ,'HYDROXY-ACETONE' , 1 ,'' ,'' ,'Yes' ,'Yes','Yes' ,'Yes',!Hydroxy acetone,L,DTXSID8051590,CC(=O)CO\n'MACR' , 70.0 ,'' ,-1 ,'' ,-1 ,'VD_MACR' , 1 ,'METHACROLEIN' , 1 ,'' ,'' ,'Yes' ,'Yes','Yes' ,'Yes',!Methacrolein,L,DTXSID0052540,CC(=C)C=O\n'MACP' ,101.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(2-methylprop-2-enoyl)peroxy,L,NA,CC(=C)C(=O)O[O]\n'XO2' , 1.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!NA,NA,NA,NA\n'MVK' , 70.1 ,'' ,-1 ,'' ,-1 ,'VD_MVK' , 1 ,'MVK' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Methyl vinyl ketone,E,DTXSID3025671,CC(=O)C=C\n'GLY' , 58.0 ,'' ,-1 ,'' ,-1 ,'VD_GLY' , 1 ,'GLYOXAL' , 1 ,'' ,'GLY' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Glyoxal,L,DTXSID5025364,O=CC=O\n'MGLY' , 72.0 ,'' ,-1 ,'' ,-1 ,'VD_MGLY' , 1 ,'METHYL_GLYOXAL' , 1 ,'' ,'MGLY' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Methyl glyoxal,L,DTXSID0021628,CC(=O)C=O\n'DCB1' , 98.0 ,'' ,-1 ,'' ,-1 ,'VD_DCB1' , 1 ,'METHACROLEIN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!2-methylbut-2-enedial,L,NA,O=CC=C(C)C=O\n'DCB2' ,112.1 ,'' ,-1 ,'' ,-1 ,'VD_DCB2' , 1 ,'METHACROLEIN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!2-methyl-4-oxopent-2-enal,L,NA,O=CC(=CC(=O)C)C\n'BALD' ,106.0 ,'' ,-1 ,'' ,-1 ,'VD_BALD' , 1 ,'BENZALDEHYDE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Benzaldehyde,L,DTXSID8039241,O=CC1=CC=CC=C1\n'CHO' ,139.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!4-hydroxy-3;5-dimethylcyclohexa-2;5-dien-1-yloxidanyl,L,NA,[O]C1C=C(C)C(O)C(=C1)C\n'OP1' , 48.0 ,'' ,-1 ,'' ,-1 ,'VD_OP1' , 1 ,'METHYLHYDROPEROX', 1 ,'' ,'MHP' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Methyl hydroperoxide,E,DTXSID10184401,COO\n'OP2' , 62.0 ,'' ,-1 ,'' ,-1 ,'VD_OP2' , 1 ,'METHYLHYDROPEROX', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Ethyl hydroperoxide,L,DTXSID70184402,CCOO\n'OPB' ,186.2 ,'' ,-1 ,'' ,-1 ,'VD_OPB' , 1 ,'METHYLHYDROPEROX', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!2-hydroperoxy-2;6;6-trimethylbicyclo[3.1.1]heptan-3-ol,L,NA,OOC1(C)C(O)CC2CC1C2(C)C\n'OP3' ,176.2 ,'' ,-1 ,'' ,-1 ,'VD_OP3' , 1 ,'METHYLHYDROPEROX', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!5-hydroperoxy-6-hydroxyoctan-3-one,L,NA,CCC(=O)CC(OO)C(O)CC\n'PAA' , 76.0 ,'' ,-1 ,'' ,-1 ,'VD_PAA' , 1 ,'PEROXYACETIC_ACI', 1 ,'' ,'PAA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Peroxyacetic acid,L,DTXSID1025853,CC(=O)OO\n'ONIT' ,119.0 ,'' ,-1 ,'' ,-1 ,'VD_ONIT' , 1 ,'MPAN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Butan-2-yl nitrate,L,DTXSID00871813,CCC(C)O[N+](=O)[O-]\n'PAN' ,121.0 ,'' ,-1 ,'' ,-1 ,'VD_PAN' , 1 ,'PAN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Peroxyacetyl nitrate,L,DTXSID4062301,CC(=O)OON(=O)=O\n'N2O5' ,108.0 ,'' ,-1 ,'' ,-1 ,'VD_N2O5' , 1 ,'N2O5' , 1 ,'N2O5' ,'N2O5' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Dinitrogen pentoxide,E,DTXSID90143672,[N+](=O)([O-])O[N+](=O)[O-]\n'SO2' , 64.0 ,'' ,-1 ,'' ,-1 ,'VD_SO2' , 1 ,'SO2' , 1 ,'' ,'SO2' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Sulfur dioxide,E,DTXSID6029672,O=S=O\n'SULF' , 98.0 ,'' ,-1 ,'' ,-1 ,'VD_SULF' , 1 ,'H2SO4' , 1 ,'SULF' ,'H2SO4' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Sulfuric acid,E,DTXSID5029683,OS(=O)(=O)O\n'SULRXN' , 98.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'SULPRD' ,'' ,'' ,'' ,'' ,'' ,!NA,NA,NA,NA\n'ETH' , 30.1 ,'' ,-1 ,'' ,-1 ,'VD_ETH' , 1 ,'ETHANE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Ethane,E,DTXSID6026377,CC\n'HC3' , 44.1 ,'' ,-1 ,'' ,-1 ,'VD_HC3' , 1 ,'HC3OPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Propane,L,DTXSID5026386,CCC\n'HC3P' , 75.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!Isopropyl peroxy,L,NA,CC(C)O[O]\n'HC5' , 72.1 ,'' ,-1 ,'' ,-1 ,'VD_HC5' , 1 ,'HC5OPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Pentane,L,DTXSID2025846,CCCCC\n'HC5P' ,103.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!Pentan-3-ylperoxy,L,NA,CCC(O[O])CC\n'HC10' ,142.28 ,'' ,-1 ,'' ,-1 ,'VD_HC10' , 1 ,'HC10OPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Decane,L,DTXSID6024913,CCCCCCCCCC\n'HC10P' ,173.27 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!Decan-3-ylperoxy,L,NA,CCCCCCCC(CC)O[O]\n'HC10P2' ,189.27 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(8-hydroxydecan-5-yl)peroxy,L,NA,CCCCC(O[O])CCC(O)CC\n'ETE' , 28.1 ,'' ,-1 ,'' ,-1 ,'VD_ETE' , 1 ,'ETHENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Ethylene,E,DTXSID1026378,C=C\n'ETEP' , 77.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(2-hydroxyethyl)peroxy,E,NA,OCCO[O]\n'OLT' , 42.0 ,'' ,-1 ,'' ,-1 ,'VD_OLT' , 1 ,'OLTOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!1-Propene,L,DTXSID5021205,CC=C\n'OLTP' , 91.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(1-hydroxypropan-2-yl)peroxy,L,NA,CC(CO)O[O]\n'OLI' , 70.1 ,'' ,-1 ,'' ,-1 ,'VD_OLI' , 1 ,'OLIOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!2-Methyl-2-butene,L,DTXSID8027165,CC=C(C)C\n'OLIP' ,119.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(3-hydroxy-2-methylbutan-2-yl)peroxy,L,NA,[O]OC(C)(C)C(C)O\n'ACE' , 26.0 ,'' ,-1 ,'' ,-1 ,'VD_ACE' , 1 ,'ACETYLENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Acetylene,E,DTXSID6026379,C#C\n'ORA1' , 46.0 ,'' ,-1 ,'' ,-1 ,'VD_ORA1' , 1 ,'ORA1OPERA' , 1 ,'' ,'FOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Formic acid,E,DTXSID2024115,OC=O\n'BEN' , 78.11 ,'' ,-1 ,'' ,-1 ,'VD_BEN' , 1 ,'BENOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Benzene,E,DTXSID3039242,C1=CC=CC=C1\n'BENP' ,159.12 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!{8-hydroxy-6;7-dioxabicyclo[3.2.1]oct-3-en-2-yl}peroxy,L,NA,[O]OC1C=CC2OOC1C2O\n'PHEN' ,110.1 ,'' ,-1 ,'' ,-1 ,'VD_PHEN' , 1 ,'PHENOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Resorcinol,L,DTXSID2021238,OC1=CC(O)=CC=C1\n'TOL' ,92.14 ,'' ,-1 ,'' ,-1 ,'VD_TOL' , 1 ,'TOLOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Toluene,E,DTXSID7021360,CC1=CC=CC=C1\n'CSL' ,136.2 ,'' ,-1 ,'' ,-1 ,'VD_CSL' , 1 ,'CSLOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!2-Phenylpropan-2-ol,L,DTXSID3027247,CC(C)(O)C1=CC=CC=C1\n'XYM' ,106.2 ,'' ,-1 ,'' ,-1 ,'VD_XYM' , 1 ,'XYMOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!m-Xylene,L,DTXSID6026298,CC1=CC(C)=CC=C1\n'XYE' ,106.2 ,'' ,-1 ,'' ,-1 ,'VD_XYE' , 1 ,'XYEOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Ethylbenzene,L,DTXSID3020596,CCC1=CC=CC=C1\n'TOLP' ,173.14 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!{8-hydroxy-5-methyl-6;7-dioxabicyclo[3.2.1]oct-3-en-2-yl}peroxy,L,NA,[O]OC1C=CC2(C)OOC1C2O\n'XYMP' ,187.17 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!{8-hydroxy-1;5-dimethyl-6;7-dioxabicyclo[3.2.1]oct-3-en-2-yl}peroxy,L,NA,[O]OC1C=CC2(C)OOC1(C)C2O\n'XYEP' ,187.17 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!{5-ethyl-8-hydroxy-6;7-dioxabicyclo[3.2.1]oct-3-en-2-yl}peroxy,L,NA,[O]OC1C=CC2(CC)OOC1C2O\n'ISO' , 68.1 ,'' ,-1 ,'' ,-1 ,'VD_ISO' , 1 ,'ISOOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Isoprene,E,DTXSID2020761,CC(=C)C=C\n'ISOP' ,117.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(1-hydroxy-3-methylbut-3-en-2-yl)peroxy,L,NA,OCC(O[O])C(C)=C\n'API' ,136.4 ,'' ,-1 ,'' ,-1 ,'VD_API' , 1 ,'APIOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!alpha-pinene,L,DTXSID4026501,CC1=CCC2CC1C2(C)C\n'APIP1' ,185.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!{3-hydroxy-2;6;6-trimethylbicyclo[3.1.1]heptan-2-yl}peroxy,L,NA,[O]OC1(C)C(O)CC2CC1C2(C)C\n'APIP2' ,185.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!{3-hydroxy-2;6;6-trimethylbicyclo[3.1.1]heptan-2-yl}peroxy,L,NA,[O]OC1(C)C(O)CC2CC1C2(C)C\n'APINP1' ,230.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',![2;6;6-trimethyl-3-(nitrooxy)bicyclo[3.1.1]heptan-2-yl]peroxy,L,NA,[O]OC1(C)C(ON(=O)=O)CC2CC1C2(C)C\n'APINP2' ,230.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',![2;6;6-trimethyl-3-(nitrooxy)bicyclo[3.1.1]heptan-2-yl]peroxy,L,NA,[O]OC1(C)C(ON(=O)=O)CC2CC1C2(C)C\n'PINAL' ,168.0 ,'' ,-1 ,'' ,-1 ,'VD_PINAL' , 1 ,'GENERIC_ALDEHYDE', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Pinonaldehyde,L,NA,O=CCC1CC(C(=O)C)C1(C)C\n'PINALP' ,199.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',![3-acetyl-2;2-dimethyl-1-(2-oxoethyl)cyclobutyl]peroxy,L,NA,O=CCC1(O[O])CC(C(=O)C)C1(C)C\n'LIM' ,136.3 ,'' ,-1 ,'' ,-1 ,'VD_LIM' , 1 ,'LIMOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!D-Limonene,L,DTXSID1020778,CC(=C)[C@@H]1CCC(C)=CC1\n'LIMP1' ,185.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',![2-hydroxy-1-methyl-4-(prop-1-en-2-yl)cyclohexyl]peroxy,L,NA,[O]OC1(C)CCC(CC1O)C(=C)C\n'LIMP2' ,185.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',![2-hydroxy-1-methyl-4-(prop-1-en-2-yl)cyclohexyl]peroxy,L,NA,[O]OC1(C)CCC(CC1O)C(=C)C\n'LIMNP1' ,230.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',![1-methyl-2-(nitrooxy)-4-(prop-1-en-2-yl)cyclohexyl]peroxy,L,NA,[O-][N+](=O)OC1CC(CCC1(C)O[O])C(=C)C\n'LIMNP2' ,230.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',![1-methyl-2-(nitrooxy)-4-(prop-1-en-2-yl)cyclohexyl]peroxy,L,NA,[O-][N+](=O)OC1CC(CCC1(C)O[O])C(=C)C\n'LIMAL' ,168.0 ,'' ,-1 ,'' ,-1 ,'VD_LIMAL' , 1 ,'UALDOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Limonaldehyde,L,NA,O=CCC(CCC(=O)C)C(=C)C\n'LIMALP' ,217.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',![1-hydroxy-2-methyl-5-oxo-3-(3-oxobutyl)pentan-2-yl]peroxy,L,NA,O=CCC(CCC(=O)C)C(C)(CO)O[O]\n'HOM' ,250.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'HOM' ,'' ,'' ,'' ,'' ,'Yes',!6;7-dihydroperoxy-3;3;6-trimethyl-tetrahydro-3aH-1;2-benzodioxol-5-ol,L,NA,OC1CC2C(OOC2(C)C)C(OO)C1(C)OO\n'ELHOM' ,402.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'ELHOM' ,'' ,'' ,'' ,'' ,'Yes',!6-hydroperoxy-7-({3-hydroxy-2;6;6-trimethylbicyclo[3.1.1]heptan-2-yl}peroxy)-3;3;6-trimethyl-tetrahydro-3aH-1;2-benzodioxol-5-ol,L,NA,OC1CC2C(OOC2(C)C)C(OOC3(C)C4C(C)(C)C(C4)CC3O)C1(C)OO\n'RCO3' , 89.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!Propanoylperoxy,L,NA,CCC(=O)O[O]\n'ACTP' , 89.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(2-oxopropyl)peroxy,E,NA,CC(=O)CO[O]\n'MEKP' ,103.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(3-oxobutyl)peroxy,L,NA,[O]OCCC(=O)C\n'KETP' ,117.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(3-oxopentan-2-yl)peroxy,L,NA,CCC(C(C)O[O])=O\n'MCP' ,119.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(1-hydroxy-2-methyl-3-oxopropan-2-yl)peroxy,L,NA,OCC(C)(O[O])C=O\n'MVKP' ,119.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(2-hydroxy-3-oxobutyl)peroxy,L,NA,CC(=O)C(O)CO[O]\n'UALP' ,133.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(3-hydroxy-3-methyl-4-oxobutan-2-yl)peroxy,L,NA,CC(O[O])C(C)(O)C=O\n'DCB3' , 84.0 ,'' ,-1 ,'' ,-1 ,'VD_DCB3' , 1 ,'METHACROLEIN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!but-2-enedial,L,NA,O=CC=CC=O\n'BALP' ,137.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!benzoylperoxy,L,NA,O=C(O[O])C1=CC=CC=C1\n'ADDC' ,125.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!3-methyl-5-oxocyclohex-3-en-1-yloxidanyl,L,NA,CC1=CC(O)=CC([O])C1\n'MCT' ,124.1 ,'' ,-1 ,'' ,-1 ,'VD_MCT' , 1 ,'MCTOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!4-Methylcatechol,L,DTXSID5020861,CC1=CC(O)=C(O)C=C1\n'MCTO' ,123.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!3-hydroxy-5-methylphenyloxidanyl,L,NA,CC1=CC(O)=CC([O])=C1\n'MOH' , 32.0 ,'' ,-1 ,'' ,-1 ,'VD_MOH' , 1 ,'METHANOL' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Methanol,E,DTXSID2021731,CO\n'EOH' , 46.1 ,'' ,-1 ,'' ,-1 ,'VD_EOH' , 1 ,'ETHANOL' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Ethanol,E,DTXSID9020584,CCO\n'ROH' , 60.0 ,'' ,-1 ,'' ,-1 ,'VD_ROH' , 1 ,'N-PROPANOL' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Propanol,L,DTXSID2021739,CCCO\n'ETEG' , 62.1 ,'' ,-1 ,'' ,-1 ,'VD_ETEG' , 1 ,'ETHYLENEGLYCOL' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Ethylene glycol,E,DTXSID8020597,OCCO\n'ISHP' ,118.0 ,'' ,-1 ,'' ,-1 ,'VD_ISHP' , 1 ,'METHACROLEIN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!2-hydroperoxy-2-methylbut-3-en-1-ol,L,NA,C=CC(OO)(CO)C\n'IEPOX' ,118.1 ,'' ,-1 ,'' ,-1 ,'VD_IEPOX' , 1 ,'HYDROXY_PEROXIDE', 1 ,'IEPOX' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Isoprene epoxydiol,E,NA,OCC1OC1(C)CO\n'IEPOXP' ,118.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!NA,NA,NA,NA\n'MAHP' ,102.0 ,'' ,-1 ,'' ,-1 ,'VD_MAHP' , 1 ,'METHACROLEIN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!2-methylprop-2-eneperoxoic acid,L,NA,C=C(C)C(OO)=O\n'ORA2' , 60.2 ,'' ,-1 ,'' ,-1 ,'VD_ORA2' , 1 ,'ORA2OPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Acetic acid,L,DTXSID5024394,CC(O)=O\n'ORAP' , 91.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(carboxymethyl)peroxy,L,NA,[O]OCC(=O)O\n'PPN' ,135.0 ,'' ,-1 ,'' ,-1 ,'VD_PPN' , 1 ,'PPN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Peroxypopionyl nitrate,E,DTXSID90206675,CCC(=O)OO[N+](=O)[O-]\n'MPAN' ,147.1 ,'' ,-1 ,'' ,-1 ,'VD_MPAN' , 1 ,'MPAN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Peroxymethacryloyl nitrate,L,DTXSID10236878,O=N(=O)OOC(=O)C(=C)C\n'NALD' ,105.0 ,'' ,-1 ,'' ,-1 ,'VD_NALD' , 1 ,'2NITRO_1BUTNL' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!1-(nitrooxy)acetaldehyde,E,NA,O=CCON(=O)=O\n'ISON' ,147.0 ,'' ,-1 ,'' ,-1 ,'VD_ISON' , 1 ,'2NITRO_1BUTNL' , 1 ,'ISON' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!2-methyl-2-(nitrooxy)but-3-en-1-ol,L,NA,OCC(C)(C=C)ON(=O)=O \n'TRPN' ,215.0 ,'' ,-1 ,'' ,-1 ,'VD_TRPN' , 1 ,'2NITRO_1BUTNL' , 1 ,'TRPN' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!3-hydroxy-2;6;6-trimethylbicyclo[3.1.1]heptan-2-yl nitrate,L,NA,O=N(=O)OC1(C)C(O)CC2CC1C2(C)C\n'MCTP' ,172.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!C7H8O5 Biradical,L,NA,CC(/C=C\\[C](O[O])O)=C/C(O)=O\n'OLNN' ,136.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',![1-(nitrooxy)propan-2-yl]peroxy,L,NA,CC(O[O])CO[N+]([O-])=O\n'OLND' ,136.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',![1-(nitrooxy)propan-2-yl]peroxy,L,NA,CC(O[O])CO[N+]([O-])=O\n'ADCN' ,155.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!4-oxocyclohex-2-en-1-yl nitrate,L,NA,OC1=C[C]C(O[N+]([O-])=O)C=C1\n'BAL1' ,123.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(4-methylphenyl)peroxy,L, NA, [O]OC1=CC=C(C)C=C1\n'BAL2' ,109.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!phenylperoxy,L, NA, [O]OC1=CC=CC=C1\n'ACRO' , 56.1 ,'' ,-1 ,'' ,-1 ,'VD_ACRO' , 1 ,'ACROOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Acrolein,E,DTXSID5020023,C=CC=O\n'BDE13' , 54.1 ,'' ,-1 ,'' ,-1 ,'VD_BDE13' , 1 ,'BDE13OPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!1;3-Butadiene,E,DTXSID3020203,C=CC=C\n'BDE13P' ,103.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' , 1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(1-hydroxybut-3-en-2-yl)peroxy,L,NA,C=CC(O[O])CO\n'PROG' , 76.1 ,'' ,-1 ,'' ,-1 ,'VD_PROG' , 1 ,'PROGOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!1;2-Propylene glycol,E,DTXSID0021206,CC(O)CO\n'FURAN' , 96.1 ,'' ,-1 ,'' ,-1 ,'VD_FURAN' , 1 ,'FURANOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Furfural,L,DTXSID1020647,O=CC1=CC=CO1\n'FURANO2' ,145.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' , 1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(2-formyl-5-hydroxy-5H-furan-2-yl)peroxy,L,NA,OC1C=CC(O1)(O[O])(C=O)\n'FURANONE' ,100.1 ,'' ,-1 ,'' ,-1 ,'VD_FURANONE' , 1 ,'FURANONEOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!2-hydroxy-2H-furan-5-one,L,DTXSID10930763,C1=CC(=O)OC1O\n'VROCIOXY' ,247.0 ,'' ,-1 ,'' ,-1 ,'VD_VROCIOXY' , 1 ,'ROCIOXYOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Decamethylcyclopentasiloxane,L,DTXSID1027184,C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1\n'SLOWROC' , 75.4 ,'' ,-1 ,'' ,-1 ,'VD_SLOWROC' , 1 ,'SLOWROCOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Hydrogen cyanide,L,DTXSID9024148,C#N\n'SESQ' ,204.4 ,'' ,-1 ,'' ,-1 ,'VD_SESQ' , 1 ,'SESQOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!b-caryophyllene,L,DTXSID8024739,C/C1=C/CCC(=C)C2CC(C)(C)C2CC\\1\n'SESQRO2' ,253.4 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!{5-hydroxy-4;11;11-trimethyl-8-methylidenebicyclo[7.2.0]undecan-4-yl}peroxy,L,NA,[O]OC1(C)CCC2C(CC2(C)C)C(=C)CCC1O\n'SESQNRO2' ,298.4 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',![4;11;11-trimethyl-8-methylidene-5-(nitrooxy)bicyclo[7.2.0]undecan-4-yl]peroxy,L,NA,[O]OC1(C)CCC2C(CC2(C)C)C(=C)CCC1O[N+](=O)[O-]\n'NAPH' ,128.17 ,'' ,-1 ,'' ,-1 ,'VD_NAPH' , 1 ,'NAPHOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Naphthalene,L,DTXSID8020913,C1=CC2=CC=CC=C2C=C1\n'NAPHP' ,209.17 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!{8-hydroxy-10;11-dioxatricyclo[7.2.1.0^{2;7}]dodeca-2;4;6-trien-12-yl}peroxy,L,NA,C12=CC=CC=C1C3OOC(C3O[O])C2(O)\n'VROCP5ARO' ,190.33 ,'' ,-1 ,'' ,-1 ,'VD_VROCP5ARO' , 1 ,'VROCP5AROOPERA' , 1 ,'VROCP5ARO' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Benzene; octyl-,L, DTXSID2062240, CCCCCCCCC1=CC=CC=C1\n'VROCP6ARO' ,176.30 ,'' ,-1 ,'' ,-1 ,'VD_VROCP6ARO' , 1 ,'VROCP6AROOPERA' , 1 ,'VROCP6ARO' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!1-Hexyl-4-methylbenzene,L, DTXSID30333914, CCCCCCC1=CC=C(C)C=C1\n'VROCP5AROP' ,271.33 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' , -1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!{8-hydroxy-5-octyl-6;7-dioxabicyclo[3.2.1]oct-3-en-2-yl}peroxy,L,NA,CCCCCCCCC1(OO2)C=CC(O[O])C2C1O\n'VROCP6AROP' ,257.30 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' , -1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!{2-hexyl-8-hydroxy-5-methyl-6;7-dioxabicyclo[3.2.1]oct-3-en-2-yl}peroxy,L, NA, OC1C2C(CCCCCC)(O[O])C=CC1(C)OO2\n'VROCN2ALK' ,422.83 ,'' ,-1 ,'' ,-1 ,'VD_VROCN2ALK' , 1 ,'VROCN2ALKOPERA' , 1 ,'VROCN2ALK' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Triacontane,L, DTXSID0060935, CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC\n'VROCN1ALK' ,408.80 ,'' ,-1 ,'' ,-1 ,'VD_VROCN1ALK' , 1 ,'VROCN1ALKOPERA' , 1 ,'VROCN1ALK' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!5;9-Dimethylheptacosane,L, DTXSID40823452, CCCCCCCCCCCCCCCCCCC(C)CCCC(C)CCCC\n'VROCP0ALK' ,394.77 ,'' ,-1 ,'' ,-1 ,'VD_VROCP0ALK' , 1 ,'VROCP0ALKOPERA' , 1 ,'VROCP0ALK' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!11-Methylheptacosane,L, DTXSID40333900, CCCCCCCCCCCCCCCCC(C)CCCCCCCCCC\n'VROCP1ALK' ,380.75 ,'' ,-1 ,'' ,-1 ,'VD_VROCP1ALK' , 1 ,'VROCP1ALKOPERA' , 1 ,'VROCP1ALK' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Heptacosane,L, DTXSID6058637, CCCCCCCCCCCCCCCCCCCCCCCCCCC\n'VROCP2ALK' ,338.66 ,'' ,-1 ,'' ,-1 ,'VD_VROCP2ALK' , 1 ,'VROCP2ALKOPERA' , 1 ,'VROCP2ALK' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Tetracosane,L, DTXSID8060955, CCCCCCCCCCCCCCCCCCCCCCCC\n'VROCP3ALK' ,296.58 ,'' ,-1 ,'' ,-1 ,'VD_VROCP3ALK' , 1 ,'VROCP3ALKOPERA' , 1 ,'VROCP3ALK' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Heneicosane,L, DTXSID9047097, CCCCCCCCCCCCCCCCCCCCC\n'VROCP4ALK' ,254.50 ,'' ,-1 ,'' ,-1 ,'VD_VROCP4ALK' , 1 ,'VROCP4ALKOPERA' , 1 ,'VROCP4ALK' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Octadecane,L, DTXSID9047172, CCCCCCCCCCCCCCCCCC\n'VROCP5ALK' ,198.39 ,'' ,-1 ,'' ,-1 ,'VD_VROCP5ALK' , 1 ,'VROCP5ALKOPERA' , 1 ,'VROCP5ALK' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Tetradecane,L, DTXSID1027267, CCCCCCCCCCCCCC\n'VROCP6ALK' ,184.37 ,'' ,-1 ,'' ,-1 ,'VD_VROCP6ALK' , 1 ,'VROCP6ALKOPERA' , 1 ,'VROCP6ALK' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Tridecane,L, DTXSID6027266, CCCCCCCCCCCCC\n'VROCP1ALKP' ,411.74 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' , -1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!heptacosan-3-ylperoxy,L,NA,CCCCCCCCCCCCCCCCCCCCCCCCC(CC)O[O]\n'VROCP2ALKP' ,369.65 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' , -1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!tetracosan-3-ylperoxy,L,NA,CCCCCCCCCCCCCCCCCCCCCC(CC)O[O]\n'VROCP3ALKP' ,327.57 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' , -1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!henicosan-3-ylperoxy,L,NA,CCCCCCCCCCCCCCCCCCC(CC)O[O]\n'VROCP4ALKP' ,285.49 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' , -1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!octadecan-3-ylperoxy,L,NA,CCCCCCCCCCCCCCCC(CC)O[O]\n'VROCP5ALKP' ,229.38 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' , -1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!tetradecan-3-ylperoxy,L,NA,CCCCCCCCCCCC(CC)O[O]\n'VROCP6ALKP' ,215.36 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' , -1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!tridecan-3-ylperoxy,L,NA,CCCCCCCCCCC(CC)O[O]\n'VROCP1ALKP2' ,427.73 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' , -1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(3-hydroxyheptacosan-6-yl)peroxy,L,NA,CCCCCCCCCCCCCCCCCCCCCC(O[O])CCC(O)CC\n'VROCP2ALKP2' ,385.65 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' , -1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(3-hydroxytetracosan-6-yl)peroxy,L,NA,CCCCCCCCCCCCCCCCCCC(O[O])CCC(O)CC\n'VROCP3ALKP2' ,343.57 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' , -1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(3-hydroxyhenicosan-6-yl)peroxy,L,NA,CCCCCCCCCCCCCCCC(O[O])CCC(O)CC\n'VROCP4ALKP2' ,301.49 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' , -1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(3-hydroxyoctadecan-6-yl)peroxy,L,NA,CCCCCCCCCCCCC(O[O])CCC(O)CC\n'VROCP5ALKP2' ,245.38 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' , -1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(3-hydroxytetradecan-6-yl)peroxy,L,NA,CCCCCCCCC(O[O])CCC(O)CC\n'VROCP6ALKP2' ,231.36 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' , -1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(3-hydroxytridecan-6-yl)peroxy,L,NA,CCCCCCCC(O[O])CCC(O)CC\n'VROCN2OXY2' ,282.4 ,'' ,-1 ,'' ,-1 ,'VD_VROCN2OXY2' , 1 ,'VROCN2OXY2OPERA', 1 ,'VROCN2OXY2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!12(S)-hydroxy-16-Heptadecynoic Acid,L,NA,C#CCCC[C@H](CCCCCCCCCCC(=O)O)O\n'VROCN2OXY4' ,232.3 ,'' ,-1 ,'' ,-1 ,'VD_VROCN2OXY4' , 1 ,'VROCN2OXY4OPERA', 1 ,'VROCN2OXY4' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!2-HYDROXYUNDECANEDIOIC ACID,L,DTXSID90726525,C(CCCCC(=O)O)CCCC(C(=O)O)O\n'VROCN2OXY8' ,194.2 ,'' ,-1 ,'' ,-1 ,'VD_VROCN2OXY8' , 1 ,'VROCN2OXY8OPERA', 1 ,'VROCN2OXY8' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!3;4;5;6;7-Pentahydroxyheptan-2-one,L,DTXSID80956455,CC(=O)C(C(C(C(CO)O)O)O)O\n'VROCN1OXY1' ,312.5 ,'' ,-1 ,'' ,-1 ,'VD_VROCN1OXY1' , 1 ,'VROCN1OXY1OPERA', 1 ,'VROCN1OXY1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Arachidic Acid,L,DTXSID1060134,CCCCCCCCCCCCCCCCCCCC(=O)O\n'VROCN1OXY3' ,230.3 ,'' ,-1 ,'' ,-1 ,'VD_VROCN1OXY3' , 1 ,'VROCN1OXY3OPERA', 1 ,'VROCN1OXY3' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!DODECANEDIOIC ACID,L,DTXSID3027297,C(CCCCCC(=O)O)CCCCC(=O)O\n'VROCN1OXY6' ,190.2 ,'' ,-1 ,'' ,-1 ,'VD_VROCN1OXY6' , 1 ,'VROCN1OXY6OPERA', 1 ,'VROCN1OXY6' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!2-hydroxy-octanedioic acid,L,NA,C(CCC(C(=O)O)O)CCC(=O)O\n'VROCP0OXY2' ,242.4 ,'' ,-1 ,'' ,-1 ,'VD_VROCP0OXY2' , 1 ,'VROCP0OXY2OPERA', 1 ,'VROCP0OXY2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!3-oxotetradecanoic acid,L,DTXSID10332384,CCCCCCCCCCCC(=O)CC(=O)O\n'VROCP0OXY4' ,202.3 ,'' ,-1 ,'' ,-1 ,'VD_VROCP0OXY4' , 1 ,'VROCP0OXY4OPERA', 1 ,'VROCP0OXY4' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!DECANEDIOIC ACID,L,DTXSID7026867,C(CCCCC(=O)O)CCCC(=O)O\n'VROCP1OXY1' ,270.5 ,'' ,-1 ,'' ,-1 ,'VD_VROCP1OXY1' , 1 ,'VROCP1OXY1OPERA', 1 ,'VROCP1OXY1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!HEPTADECANOIC ACID,L,DTXSID5021596,CCCCCCCCCCCCCCCCC(=O)O\n'VROCP1OXY3' ,202.3 ,'' ,-1 ,'' ,-1 ,'VD_VROCP1OXY3' , 1 ,'VROCP1OXY3OPERA', 1 ,'VROCP1OXY3' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!11-hydroxyundecanoic acid,L,DTXSID40190136,C(CCCCCO)CCCCC(=O)O\n'VROCP2OXY2' ,200.3 ,'' ,-1 ,'' ,-1 ,'VD_VROCP2OXY2' , 1 ,'VROCP2OXY2OPERA', 1 ,'VROCP2OXY2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Dodecanoic Acid,L,DTXSID5021590,CCCCCCCCCCCC(=O)O\n'VROCP3OXY2' ,186.3 ,'' ,-1 ,'' ,-1 ,'VD_VROCP3OXY2' , 1 ,'VROCP3OXY2OPERA', 1 ,'VROCP3OXY2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!11-hydroxyundecanal,L,NA,C(CCCCCO)CCCCC=O\n'VROCP4OXY2' ,158.2 ,'' ,-1 ,'' ,-1 ,'VD_VROCP4OXY2' , 1 ,'VROCP4OXY2OPERA', 1 ,'VROCP4OXY2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!2-Ethylheptanoic Acid,L,DTXSID40880929,CCCCCC(CC)C(=O)O\n'VROCP5OXY1' ,170.3 ,'' ,-1 ,'' ,-1 ,'VD_VROCP5OXY1' , 1 ,'VROCP5OXY1OPERA', 1 ,'VROCP5OXY1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Undecanal,L,DTXSID4021688,CCCCCCCCCCC=O\n'VROCP6OXY1' ,142.2 ,'' ,-1 ,'' ,-1 ,'VD_VROCP6OXY1' , 1 ,'VROCP6OXY1OPERA', 1 ,'VROCP6OXY1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Nonanal,L,DTXSID9021639,CCCCCCCCC=O\n/\n" }, { "path": "CCTM/src/MECHS/cracmm1_aq/NR_cracmm1_aq.nml", "content": "&NR_nml\n\nNR_SPECIES_DATA = \n\n!SPECIES ,MOLWT ,IC ,IC_FAC ,BC ,BC_FAC ,DRYDEP SURR ,FAC ,WET-SCAV SURR ,FAC ,NR2AE SURR ,NR2AQ SURR,TRNS ,DDEP ,WDEP ,CONC ,!RepCmp,ExplicitorLumped,DTXSID,SMILES\n'NH3' , 17.0 ,'' ,-1 ,'' ,-1 ,'VD_NH3' , 1 ,'NH3' , 1 ,'NH3' ,'NH3' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Ammonia,E,DTXSID0023872,N\n'HCL' , 36.0 ,'' ,-1 ,'' ,-1 ,'VD_HCL' , 1 ,'HCL' , 1 ,'HCL' ,'HCL' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Hydrochloric acid,E,DTXSID2020711,Cl\n/\n" }, { "path": "CCTM/src/MECHS/cracmm1_aq/RXNS_DATA_MODULE.F90", "content": " MODULE RXNS_DATA\n\n\n IMPLICIT NONE\n\n\n\n! --------- Photochemical Mechanism Reactions, Rates, etc. DAT ---------\n! Source file: /home/hwo/CCTM_git_repository/UTIL/chemmech/input/cracmm1_aq/mech_cracmm1_aq.def\n! for Mechanism Name: CRACMM1_AQ \n\n! This file is used to create mechanism data and functions\n\n! The following are reserved symbols declared in this file:\n! MECHNAME = Mechanism name\n! N_GAS_CHEM_SPC = Total number of gas species in chemical mechanism\n! NUMB_MECH_SPC = Total number of species in chemical mechanism\n! N_ACT_SP = Number of active (determined by ODE solver) species in mechanism\n! GAS_CHEM_SPC = Names of gas species in chemical mechanism\n! CHEMISTRY_SPC = Names of species in chemical mechanism\n! CGRID_INDEX = CGRID Index of species in chemical mechanism\n! SPECIES_TYPE = Group or type of species \n! SPECIES_MOLWT = Molecular Weight of species (gm/mole)\n! NRXNS = Number of mechanism reactions\n! ZERO_REACT_REACTIONS = number zero reactant reactions\n! ONE_REACT_REACTIONS = number one reactant reactions\n! TWO_REACT_REACTIONS = number second order reactions\n! THREE_REACT_REACTIONS = number three reactant reactions\n! NSUNLIGHT_RXNS = Number of mechanism reactions requiring sunlight\n! NTHERMAL_RXNS = Number of mechanism reactions not requiring sunlight\n! KUNITS = Units of mechanism reactions\n! KTYPE = Reaction type\n! IRXBITS = Bit test mask vector for selected reactions\n! IORDER = Order of the reaction\n! NTERMS_JACOB = Maximum number of nonzero terms in day/night Jacobian\n! MSTEPS_JACOB = Maximum number of LU Decomposition steps to solve each Jacobian\n! KTN1 = Number of type 1 reactions\n! KRX1 = Reactions list pointer to type 1 reactions\n! KTN2 = Number of type 2 reactions\n! KRX2 = Reactions list pointer to type 2 reactions\n! KTN3 = Number of type 3 reactions\n! KRX3 = Reactions list pointer to type 3 reactions\n! KTN4 = Number of type 4 reactions\n! KRX4 = Reactions list pointer to type 4 reactions\n! KTN5 = Number of type 5 reactions\n! KRX5 = Reactions list pointer to type 5 reactions\n! KTN6 = Number of type 6 reactions\n! KRX6 = Reactions list pointer to type 6 reactions\n! KTN7 = Number of type 7 reactions\n! KRX7 = Reactions list pointer to type 7 reactions\n\n! NWM = Number of air 3-body reactions\n! NRXWM = Reactions list pointer to air 3-body reactions\n! ATM_AIR = air 3-body reactions concentration\n! NWW = Number of H2O 3-body reactions\n! NRXWW = Reactions list pointer to H2O 3-body reactions\n! NWO2 = Number of reactions with O2\n! NRXWO2 = Reactions list pointer to O2 reactions\n! ATM_O2 = Oxygen reactions concentration\n! NWN2 = Number of N2 3-body reactions\n! NRXWN2 = Reactions list pointer to N2 3-body reactions\n! ATM_N2 = Nitrogen 3-body reactions concentration\n! NWCH4 = Number of reactions with CH4\n! NRXWCH4 = Reactions list pointer to CH4 reactions\n! ATM_CH4 = Methane reactions concentration\n! NWH2 = Number of reactions with H2\n! NRXWH2 = Reactions list pointer to H2 reactions\n! ATM_H2 = Hydrogen reactions concentration\n\n! MXPRD = Maximum number of mechanism reaction products\n! IRR = Reactions list pointer to reactants and products\n! RTDAT = Kinetic reaction rates expressions components\n! NFALLOFFF = Number of falloff reactions\n! IRRFALL = Reactions list pointer to falloff reactions\n! RFDAT = Falloff reaction rates expressions components\n! SC = Stoichiometric coefficients\n! NREACT = Number of reactants in each mechanism reaction\n! NPRDCT = Number of products in each mechanism reaction\n! RXLABEL = Character label list for mechanism reactions\n! NMPHOT = Number of mechanism photolytic reactions\n! NPHOTAB = Number of photolytic reactions tables\n! IPH = Reactions list pointer to photolytic reactions and tables\n! MHETERO = Number of mechanism heteorogenous reactions\n! NHETERO = Number of unique heteorogenous rate constants\n! IHETERO = Reactions list pointer to heteorogenous reactions and tables\n\n CHARACTER( 32 ), PARAMETER :: MECHNAME = 'CRACMM1_AQ'\n\n INTEGER, PARAMETER :: N_GAS_CHEM_SPC = 173\n INTEGER, PARAMETER :: NUMB_MECH_SPC = 178\n\n CHARACTER( 16 ) :: GAS_CHEM_SPC( N_GAS_CHEM_SPC )\n CHARACTER( 16 ) :: CHEMISTRY_SPC( NUMB_MECH_SPC )\n CHARACTER( 16 ) :: SPECIES_TYPE( NUMB_MECH_SPC )\n INTEGER :: CGRID_INDEX ( NUMB_MECH_SPC )\n INTEGER :: TYPE_INDEX ( NUMB_MECH_SPC )\n REAL( 8 ) :: SPECIES_MOLWT( NUMB_MECH_SPC )\n LOGICAL :: CONVERT_CONC( NUMB_MECH_SPC )\n\n! The below character and integer arrays list the model species names used in the \n! chemical mechanism. The gas species and their order should agree with \n! the GC_SPC array for the gas phase chemistry to work correctly. \n! If present, the CHEMISTRY_SPC names and species type should agree with the CGRID_SPCS module\n\n DATA GAS_CHEM_SPC( 1 ) / 'O3 ' /\n DATA GAS_CHEM_SPC( 2 ) / 'O3P ' /\n DATA GAS_CHEM_SPC( 3 ) / 'O1D ' /\n DATA GAS_CHEM_SPC( 4 ) / 'H2O2 ' /\n DATA GAS_CHEM_SPC( 5 ) / 'HO ' /\n DATA GAS_CHEM_SPC( 6 ) / 'NO2 ' /\n DATA GAS_CHEM_SPC( 7 ) / 'NO ' /\n DATA GAS_CHEM_SPC( 8 ) / 'NO3 ' /\n DATA GAS_CHEM_SPC( 9 ) / 'HONO ' /\n DATA GAS_CHEM_SPC( 10 ) / 'HNO3 ' /\n DATA GAS_CHEM_SPC( 11 ) / 'HNO4 ' /\n DATA GAS_CHEM_SPC( 12 ) / 'HO2 ' /\n DATA GAS_CHEM_SPC( 13 ) / 'HCHO ' /\n DATA GAS_CHEM_SPC( 14 ) / 'CO ' /\n DATA GAS_CHEM_SPC( 15 ) / 'ACD ' /\n DATA GAS_CHEM_SPC( 16 ) / 'MO2 ' /\n DATA GAS_CHEM_SPC( 17 ) / 'ALD ' /\n DATA GAS_CHEM_SPC( 18 ) / 'ETHP ' /\n DATA GAS_CHEM_SPC( 19 ) / 'ACT ' /\n DATA GAS_CHEM_SPC( 20 ) / 'ACO3 ' /\n DATA GAS_CHEM_SPC( 21 ) / 'UALD ' /\n DATA GAS_CHEM_SPC( 22 ) / 'KET ' /\n DATA GAS_CHEM_SPC( 23 ) / 'PINAL ' /\n DATA GAS_CHEM_SPC( 24 ) / 'HC10P ' /\n DATA GAS_CHEM_SPC( 25 ) / 'LIMAL ' /\n DATA GAS_CHEM_SPC( 26 ) / 'MEK ' /\n DATA GAS_CHEM_SPC( 27 ) / 'HKET ' /\n DATA GAS_CHEM_SPC( 28 ) / 'MACR ' /\n DATA GAS_CHEM_SPC( 29 ) / 'MACP ' /\n DATA GAS_CHEM_SPC( 30 ) / 'XO2 ' /\n DATA GAS_CHEM_SPC( 31 ) / 'MVK ' /\n DATA GAS_CHEM_SPC( 32 ) / 'GLY ' /\n DATA GAS_CHEM_SPC( 33 ) / 'MGLY ' /\n DATA GAS_CHEM_SPC( 34 ) / 'DCB1 ' /\n DATA GAS_CHEM_SPC( 35 ) / 'DCB2 ' /\n DATA GAS_CHEM_SPC( 36 ) / 'BALD ' /\n DATA GAS_CHEM_SPC( 37 ) / 'CHO ' /\n DATA GAS_CHEM_SPC( 38 ) / 'OP1 ' /\n DATA GAS_CHEM_SPC( 39 ) / 'OP2 ' /\n DATA GAS_CHEM_SPC( 40 ) / 'OPB ' /\n DATA GAS_CHEM_SPC( 41 ) / 'OP3 ' /\n DATA GAS_CHEM_SPC( 42 ) / 'PAA ' /\n DATA GAS_CHEM_SPC( 43 ) / 'ONIT ' /\n DATA GAS_CHEM_SPC( 44 ) / 'PAN ' /\n DATA GAS_CHEM_SPC( 45 ) / 'N2O5 ' /\n DATA GAS_CHEM_SPC( 46 ) / 'SO2 ' /\n DATA GAS_CHEM_SPC( 47 ) / 'SULF ' /\n DATA GAS_CHEM_SPC( 48 ) / 'SULRXN ' /\n DATA GAS_CHEM_SPC( 49 ) / 'ETH ' /\n DATA GAS_CHEM_SPC( 50 ) / 'HC3 ' /\n DATA GAS_CHEM_SPC( 51 ) / 'HC3P ' /\n DATA GAS_CHEM_SPC( 52 ) / 'HC5 ' /\n DATA GAS_CHEM_SPC( 53 ) / 'HC5P ' /\n DATA GAS_CHEM_SPC( 54 ) / 'ETE ' /\n DATA GAS_CHEM_SPC( 55 ) / 'ETEP ' /\n DATA GAS_CHEM_SPC( 56 ) / 'OLT ' /\n DATA GAS_CHEM_SPC( 57 ) / 'OLTP ' /\n DATA GAS_CHEM_SPC( 58 ) / 'OLI ' /\n DATA GAS_CHEM_SPC( 59 ) / 'OLIP ' /\n DATA GAS_CHEM_SPC( 60 ) / 'ACE ' /\n DATA GAS_CHEM_SPC( 61 ) / 'ORA1 ' /\n DATA GAS_CHEM_SPC( 62 ) / 'BEN ' /\n DATA GAS_CHEM_SPC( 63 ) / 'BENP ' /\n DATA GAS_CHEM_SPC( 64 ) / 'PHEN ' /\n DATA GAS_CHEM_SPC( 65 ) / 'TOL ' /\n DATA GAS_CHEM_SPC( 66 ) / 'TOLP ' /\n DATA GAS_CHEM_SPC( 67 ) / 'CSL ' /\n DATA GAS_CHEM_SPC( 68 ) / 'XYM ' /\n DATA GAS_CHEM_SPC( 69 ) / 'XYMP ' /\n DATA GAS_CHEM_SPC( 70 ) / 'XYE ' /\n DATA GAS_CHEM_SPC( 71 ) / 'XYEP ' /\n DATA GAS_CHEM_SPC( 72 ) / 'ISO ' /\n DATA GAS_CHEM_SPC( 73 ) / 'ISOP ' /\n DATA GAS_CHEM_SPC( 74 ) / 'API ' /\n DATA GAS_CHEM_SPC( 75 ) / 'APIP1 ' /\n DATA GAS_CHEM_SPC( 76 ) / 'APIP2 ' /\n DATA GAS_CHEM_SPC( 77 ) / 'LIM ' /\n DATA GAS_CHEM_SPC( 78 ) / 'LIMP1 ' /\n DATA GAS_CHEM_SPC( 79 ) / 'LIMP2 ' /\n DATA GAS_CHEM_SPC( 80 ) / 'PINALP ' /\n DATA GAS_CHEM_SPC( 81 ) / 'RCO3 ' /\n DATA GAS_CHEM_SPC( 82 ) / 'LIMALP ' /\n DATA GAS_CHEM_SPC( 83 ) / 'ACTP ' /\n DATA GAS_CHEM_SPC( 84 ) / 'MEKP ' /\n DATA GAS_CHEM_SPC( 85 ) / 'KETP ' /\n DATA GAS_CHEM_SPC( 86 ) / 'MCP ' /\n DATA GAS_CHEM_SPC( 87 ) / 'MVKP ' /\n DATA GAS_CHEM_SPC( 88 ) / 'UALP ' /\n DATA GAS_CHEM_SPC( 89 ) / 'DCB3 ' /\n DATA GAS_CHEM_SPC( 90 ) / 'BALP ' /\n DATA GAS_CHEM_SPC( 91 ) / 'ADDC ' /\n DATA GAS_CHEM_SPC( 92 ) / 'MCT ' /\n DATA GAS_CHEM_SPC( 93 ) / 'MCTO ' /\n DATA GAS_CHEM_SPC( 94 ) / 'MOH ' /\n DATA GAS_CHEM_SPC( 95 ) / 'EOH ' /\n DATA GAS_CHEM_SPC( 96 ) / 'ROH ' /\n DATA GAS_CHEM_SPC( 97 ) / 'ETEG ' /\n DATA GAS_CHEM_SPC( 98 ) / 'ISHP ' /\n DATA GAS_CHEM_SPC( 99 ) / 'IEPOX ' /\n DATA GAS_CHEM_SPC( 100 ) / 'MAHP ' /\n DATA GAS_CHEM_SPC( 101 ) / 'ORA2 ' /\n DATA GAS_CHEM_SPC( 102 ) / 'ORAP ' /\n DATA GAS_CHEM_SPC( 103 ) / 'PPN ' /\n DATA GAS_CHEM_SPC( 104 ) / 'MPAN ' /\n DATA GAS_CHEM_SPC( 105 ) / 'TRPN ' /\n DATA GAS_CHEM_SPC( 106 ) / 'HOM ' /\n DATA GAS_CHEM_SPC( 107 ) / 'NALD ' /\n DATA GAS_CHEM_SPC( 108 ) / 'ISON ' /\n DATA GAS_CHEM_SPC( 109 ) / 'MCTP ' /\n DATA GAS_CHEM_SPC( 110 ) / 'OLNN ' /\n DATA GAS_CHEM_SPC( 111 ) / 'OLND ' /\n DATA GAS_CHEM_SPC( 112 ) / 'APINP1 ' /\n DATA GAS_CHEM_SPC( 113 ) / 'APINP2 ' /\n DATA GAS_CHEM_SPC( 114 ) / 'LIMNP1 ' /\n DATA GAS_CHEM_SPC( 115 ) / 'LIMNP2 ' /\n DATA GAS_CHEM_SPC( 116 ) / 'ADCN ' /\n DATA GAS_CHEM_SPC( 117 ) / 'VROCP4OXY2 ' /\n DATA GAS_CHEM_SPC( 118 ) / 'VROCN1OXY6 ' /\n DATA GAS_CHEM_SPC( 119 ) / 'FURANONE ' /\n DATA GAS_CHEM_SPC( 120 ) / 'VROCP3OXY2 ' /\n DATA GAS_CHEM_SPC( 121 ) / 'VROCP0OXY4 ' /\n DATA GAS_CHEM_SPC( 122 ) / 'BAL1 ' /\n DATA GAS_CHEM_SPC( 123 ) / 'BAL2 ' /\n DATA GAS_CHEM_SPC( 124 ) / 'ELHOM ' /\n DATA GAS_CHEM_SPC( 125 ) / 'VROCIOXY ' /\n DATA GAS_CHEM_SPC( 126 ) / 'SLOWROC ' /\n DATA GAS_CHEM_SPC( 127 ) / 'ACRO ' /\n DATA GAS_CHEM_SPC( 128 ) / 'BDE13 ' /\n DATA GAS_CHEM_SPC( 129 ) / 'BDE13P ' /\n DATA GAS_CHEM_SPC( 130 ) / 'FURAN ' /\n DATA GAS_CHEM_SPC( 131 ) / 'FURANO2 ' /\n DATA GAS_CHEM_SPC( 132 ) / 'PROG ' /\n DATA GAS_CHEM_SPC( 133 ) / 'SESQ ' /\n DATA GAS_CHEM_SPC( 134 ) / 'SESQNRO2 ' /\n DATA GAS_CHEM_SPC( 135 ) / 'VROCN2OXY2 ' /\n DATA GAS_CHEM_SPC( 136 ) / 'SESQRO2 ' /\n DATA GAS_CHEM_SPC( 137 ) / 'VROCP0OXY2 ' /\n DATA GAS_CHEM_SPC( 138 ) / 'VROCP1OXY3 ' /\n DATA GAS_CHEM_SPC( 139 ) / 'IEPOXP ' /\n DATA GAS_CHEM_SPC( 140 ) / 'VROCP6ALK ' /\n DATA GAS_CHEM_SPC( 141 ) / 'VROCP6ALKP ' /\n DATA GAS_CHEM_SPC( 142 ) / 'VROCP5ALK ' /\n DATA GAS_CHEM_SPC( 143 ) / 'VROCP5ALKP ' /\n DATA GAS_CHEM_SPC( 144 ) / 'VROCP4ALK ' /\n DATA GAS_CHEM_SPC( 145 ) / 'VROCP4ALKP ' /\n DATA GAS_CHEM_SPC( 146 ) / 'VROCP3ALK ' /\n DATA GAS_CHEM_SPC( 147 ) / 'VROCP3ALKP ' /\n DATA GAS_CHEM_SPC( 148 ) / 'VROCP2ALK ' /\n DATA GAS_CHEM_SPC( 149 ) / 'VROCP2ALKP ' /\n DATA GAS_CHEM_SPC( 150 ) / 'VROCP1ALK ' /\n DATA GAS_CHEM_SPC( 151 ) / 'VROCP1ALKP ' /\n DATA GAS_CHEM_SPC( 152 ) / 'HC10 ' /\n DATA GAS_CHEM_SPC( 153 ) / 'VROCP6ALKP2 ' /\n DATA GAS_CHEM_SPC( 154 ) / 'VROCP5ALKP2 ' /\n DATA GAS_CHEM_SPC( 155 ) / 'VROCP4ALKP2 ' /\n DATA GAS_CHEM_SPC( 156 ) / 'VROCP2OXY2 ' /\n DATA GAS_CHEM_SPC( 157 ) / 'VROCP3ALKP2 ' /\n DATA GAS_CHEM_SPC( 158 ) / 'VROCP1OXY1 ' /\n DATA GAS_CHEM_SPC( 159 ) / 'VROCP2ALKP2 ' /\n DATA GAS_CHEM_SPC( 160 ) / 'VROCP1ALKP2 ' /\n DATA GAS_CHEM_SPC( 161 ) / 'VROCN1OXY1 ' /\n DATA GAS_CHEM_SPC( 162 ) / 'HC10P2 ' /\n DATA GAS_CHEM_SPC( 163 ) / 'VROCP6ARO ' /\n DATA GAS_CHEM_SPC( 164 ) / 'VROCP6AROP ' /\n DATA GAS_CHEM_SPC( 165 ) / 'VROCN2OXY4 ' /\n DATA GAS_CHEM_SPC( 166 ) / 'VROCN1OXY3 ' /\n DATA GAS_CHEM_SPC( 167 ) / 'VROCP5ARO ' /\n DATA GAS_CHEM_SPC( 168 ) / 'VROCP5AROP ' /\n DATA GAS_CHEM_SPC( 169 ) / 'NAPH ' /\n DATA GAS_CHEM_SPC( 170 ) / 'NAPHP ' /\n DATA GAS_CHEM_SPC( 171 ) / 'VROCN2OXY8 ' /\n DATA GAS_CHEM_SPC( 172 ) / 'VROCP5OXY1 ' /\n DATA GAS_CHEM_SPC( 173 ) / 'VROCP6OXY1 ' /\n\n\n\n\n LOGICAL :: HALOGEN_PARAMETER = .TRUE. \n\n\n! The below character and integer arrays list the model species names used in the \n! chemical mechanism. The gas species and their order should agree with \n! the GC_SPC array for the gas phase chemistry to work correctly. \n! If present, the CHEMISTRY_SPC names and species type should agree with the CGRID_SPCS module\n\n\n! MAPPED_TO_CGRID declares whether CMAQ namelists were used to determine \n! the below values of CGRID_INDEX, SPECIES_TYPE, SPECIES_MOLWT, and CONVERT_CONC\n LOGICAL, PARAMETER, PRIVATE :: F = .FALSE.\n LOGICAL, PARAMETER, PRIVATE :: T = .TRUE.\n\n\n LOGICAL :: MAPPED_TO_CGRID = .FALSE. \n\n TYPE MEMBER\n CHARACTER( 16 ) :: CHEMISTRY_SPC\n INTEGER :: CGRID_INDEX\n CHARACTER( 2 ) :: SPECIES_TYPE\n REAL( 8 ) :: SPECIES_MOLWT\n LOGICAL :: CONVERT_CONC\n END TYPE MEMBER\n TYPE( MEMBER ) :: SPECIES_LIST( NUMB_MECH_SPC ) = (/ &\n & MEMBER(\"O3 \", 1, \"GC\", 48.00D0, F), &\n & MEMBER(\"O3P \", 2, \"GC\", 16.00D0, F), &\n & MEMBER(\"O1D \", 3, \"GC\", 16.00D0, F), &\n & MEMBER(\"H2O2 \", 4, \"GC\", 34.00D0, F), &\n & MEMBER(\"HO \", 5, \"GC\", 17.00D0, F), &\n & MEMBER(\"NO2 \", 6, \"GC\", 46.00D0, F), &\n & MEMBER(\"NO \", 7, \"GC\", 30.00D0, F), &\n & MEMBER(\"NO3 \", 8, \"GC\", 62.00D0, F), &\n & MEMBER(\"HONO \", 9, \"GC\", 47.00D0, F), &\n & MEMBER(\"HNO3 \", 10, \"GC\", 63.00D0, F), &\n & MEMBER(\"HNO4 \", 11, \"GC\", 79.00D0, F), &\n & MEMBER(\"HO2 \", 12, \"GC\", 33.00D0, F), &\n & MEMBER(\"HCHO \", 13, \"GC\", 30.00D0, F), &\n & MEMBER(\"CO \", 14, \"GC\", 28.00D0, F), &\n & MEMBER(\"ACD \", 15, \"GC\", 44.00D0, F), &\n & MEMBER(\"MO2 \", 16, \"GC\", 47.00D0, F), &\n & MEMBER(\"ALD \", 17, \"GC\", 58.00D0, F), &\n & MEMBER(\"ETHP \", 18, \"GC\", 61.00D0, F), &\n & MEMBER(\"ACT \", 19, \"GC\", 58.00D0, F), &\n & MEMBER(\"ACO3 \", 20, \"GC\", 75.00D0, F), &\n & MEMBER(\"UALD \", 21, \"GC\", 84.10D0, F), &\n & MEMBER(\"KET \", 22, \"GC\", 86.00D0, F), &\n & MEMBER(\"PINAL \", 79, \"GC\", 168.00D0, F), &\n & MEMBER(\"HC10P \", 52, \"GC\", 173.27D0, F), &\n & MEMBER(\"LIMAL \", 86, \"GC\", 168.00D0, F), &\n & MEMBER(\"MEK \", 23, \"GC\", 72.10D0, F), &\n & MEMBER(\"HKET \", 24, \"GC\", 74.00D0, F), &\n & MEMBER(\"MACR \", 25, \"GC\", 70.00D0, F), &\n & MEMBER(\"MACP \", 26, \"GC\", 101.00D0, F), &\n & MEMBER(\"XO2 \", 27, \"GC\", 1.00D0, F), &\n & MEMBER(\"MVK \", 28, \"GC\", 70.10D0, F), &\n & MEMBER(\"GLY \", 29, \"GC\", 58.00D0, F), &\n & MEMBER(\"MGLY \", 30, \"GC\", 72.00D0, F), &\n & MEMBER(\"DCB1 \", 31, \"GC\", 98.00D0, F), &\n & MEMBER(\"DCB2 \", 32, \"GC\", 112.10D0, F), &\n & MEMBER(\"BALD \", 33, \"GC\", 106.00D0, F), &\n & MEMBER(\"CHO \", 34, \"GC\", 139.00D0, F), &\n & MEMBER(\"OP1 \", 35, \"GC\", 48.00D0, F), &\n & MEMBER(\"OP2 \", 36, \"GC\", 62.00D0, F), &\n & MEMBER(\"OPB \", 37, \"GC\", 186.20D0, F), &\n & MEMBER(\"OP3 \", 38, \"GC\", 176.20D0, F), &\n & MEMBER(\"PAA \", 39, \"GC\", 76.00D0, F), &\n & MEMBER(\"ONIT \", 40, \"GC\", 119.00D0, F), &\n & MEMBER(\"PAN \", 41, \"GC\", 121.00D0, F), &\n & MEMBER(\"N2O5 \", 42, \"GC\", 108.00D0, F), &\n & MEMBER(\"SO2 \", 43, \"GC\", 64.00D0, F), &\n & MEMBER(\"SULF \", 44, \"GC\", 98.00D0, F), &\n & MEMBER(\"SULRXN \", 45, \"GC\", 98.00D0, F), &\n & MEMBER(\"ETH \", 46, \"GC\", 30.10D0, F), &\n & MEMBER(\"HC3 \", 47, \"GC\", 44.10D0, F), &\n & MEMBER(\"HC3P \", 48, \"GC\", 75.00D0, F), &\n & MEMBER(\"ASOATJ \", 187, \"AE\", 200.00D0, T), &\n & MEMBER(\"HC5 \", 49, \"GC\", 72.10D0, F), &\n & MEMBER(\"HC5P \", 50, \"GC\", 103.00D0, F), &\n & MEMBER(\"ETE \", 54, \"GC\", 28.10D0, F), &\n & MEMBER(\"ETEP \", 55, \"GC\", 77.00D0, F), &\n & MEMBER(\"OLT \", 56, \"GC\", 42.00D0, F), &\n & MEMBER(\"OLTP \", 57, \"GC\", 91.00D0, F), &\n & MEMBER(\"OLI \", 58, \"GC\", 70.10D0, F), &\n & MEMBER(\"OLIP \", 59, \"GC\", 119.00D0, F), &\n & MEMBER(\"ACE \", 60, \"GC\", 26.00D0, F), &\n & MEMBER(\"ORA1 \", 61, \"GC\", 46.00D0, F), &\n & MEMBER(\"BEN \", 62, \"GC\", 78.11D0, F), &\n & MEMBER(\"BENP \", 63, \"GC\", 159.12D0, F), &\n & MEMBER(\"PHEN \", 64, \"GC\", 110.10D0, F), &\n & MEMBER(\"TOL \", 65, \"GC\", 92.14D0, F), &\n & MEMBER(\"TOLP \", 69, \"GC\", 173.14D0, F), &\n & MEMBER(\"CSL \", 66, \"GC\", 136.20D0, F), &\n & MEMBER(\"XYM \", 67, \"GC\", 106.20D0, F), &\n & MEMBER(\"XYMP \", 70, \"GC\", 187.17D0, F), &\n & MEMBER(\"XYE \", 68, \"GC\", 106.20D0, F), &\n & MEMBER(\"XYEP \", 71, \"GC\", 187.17D0, F), &\n & MEMBER(\"ISO \", 72, \"GC\", 68.10D0, F), &\n & MEMBER(\"ISOP \", 73, \"GC\", 117.00D0, F), &\n & MEMBER(\"API \", 74, \"GC\", 136.40D0, F), &\n & MEMBER(\"APIP1 \", 75, \"GC\", 185.00D0, F), &\n & MEMBER(\"APIP2 \", 76, \"GC\", 185.00D0, F), &\n & MEMBER(\"LIM \", 81, \"GC\", 136.30D0, F), &\n & MEMBER(\"LIMP1 \", 82, \"GC\", 185.00D0, F), &\n & MEMBER(\"LIMP2 \", 83, \"GC\", 185.00D0, F), &\n & MEMBER(\"PINALP \", 80, \"GC\", 199.00D0, F), &\n & MEMBER(\"RCO3 \", 90, \"GC\", 89.00D0, F), &\n & MEMBER(\"LIMALP \", 87, \"GC\", 217.00D0, F), &\n & MEMBER(\"ACTP \", 91, \"GC\", 89.00D0, F), &\n & MEMBER(\"MEKP \", 92, \"GC\", 103.00D0, F), &\n & MEMBER(\"KETP \", 93, \"GC\", 117.00D0, F), &\n & MEMBER(\"MCP \", 94, \"GC\", 119.00D0, F), &\n & MEMBER(\"MVKP \", 95, \"GC\", 119.00D0, F), &\n & MEMBER(\"UALP \", 96, \"GC\", 133.00D0, F), &\n & MEMBER(\"DCB3 \", 97, \"GC\", 84.00D0, F), &\n & MEMBER(\"BALP \", 98, \"GC\", 137.00D0, F), &\n & MEMBER(\"ADDC \", 99, \"GC\", 125.00D0, F), &\n & MEMBER(\"MCT \", 100, \"GC\", 124.10D0, F), &\n & MEMBER(\"MCTO \", 101, \"GC\", 123.00D0, F), &\n & MEMBER(\"MOH \", 102, \"GC\", 32.00D0, F), &\n & MEMBER(\"EOH \", 103, \"GC\", 46.10D0, F), &\n & MEMBER(\"ROH \", 104, \"GC\", 60.00D0, F), &\n & MEMBER(\"ETEG \", 105, \"GC\", 62.10D0, F), &\n & MEMBER(\"ISHP \", 106, \"GC\", 118.00D0, F), &\n & MEMBER(\"IEPOX \", 107, \"GC\", 118.10D0, F), &\n & MEMBER(\"MAHP \", 109, \"GC\", 102.00D0, F), &\n & MEMBER(\"ORA2 \", 110, \"GC\", 60.20D0, F), &\n & MEMBER(\"ORAP \", 111, \"GC\", 91.00D0, F), &\n & MEMBER(\"PPN \", 112, \"GC\", 135.00D0, F), &\n & MEMBER(\"MPAN \", 113, \"GC\", 147.10D0, F), &\n & MEMBER(\"TRPN \", 116, \"GC\", 215.00D0, F), &\n & MEMBER(\"HOM \", 88, \"GC\", 250.00D0, F), &\n & MEMBER(\"NALD \", 114, \"GC\", 105.00D0, F), &\n & MEMBER(\"ISON \", 115, \"GC\", 147.00D0, F), &\n & MEMBER(\"MCTP \", 117, \"GC\", 172.00D0, F), &\n & MEMBER(\"OLNN \", 118, \"GC\", 136.00D0, F), &\n & MEMBER(\"OLND \", 119, \"GC\", 136.00D0, F), &\n & MEMBER(\"APINP1 \", 77, \"GC\", 230.00D0, F), &\n & MEMBER(\"APINP2 \", 78, \"GC\", 230.00D0, F), &\n & MEMBER(\"LIMNP1 \", 84, \"GC\", 230.00D0, F), &\n & MEMBER(\"LIMNP2 \", 85, \"GC\", 230.00D0, F), &\n & MEMBER(\"ADCN \", 120, \"GC\", 155.00D0, F), &\n & MEMBER(\"VROCP4OXY2 \", 174, \"GC\", 158.20D0, F), &\n & MEMBER(\"VROCN1OXY6 \", 167, \"GC\", 190.20D0, F), &\n & MEMBER(\"FURANONE \", 129, \"GC\", 100.10D0, F), &\n & MEMBER(\"VROCP3OXY2 \", 173, \"GC\", 186.30D0, F), &\n & MEMBER(\"VROCP0OXY4 \", 169, \"GC\", 202.30D0, F), &\n & MEMBER(\"BAL1 \", 121, \"GC\", 123.00D0, F), &\n & MEMBER(\"BAL2 \", 122, \"GC\", 109.00D0, F), &\n & MEMBER(\"ELHOM \", 89, \"GC\", 402.00D0, F), &\n & MEMBER(\"VROCIOXY \", 130, \"GC\", 247.00D0, F), &\n & MEMBER(\"SLOWROC \", 131, \"GC\", 75.40D0, F), &\n & MEMBER(\"ACRO \", 123, \"GC\", 56.10D0, F), &\n & MEMBER(\"BDE13 \", 124, \"GC\", 54.10D0, F), &\n & MEMBER(\"BDE13P \", 125, \"GC\", 103.00D0, F), &\n & MEMBER(\"FURAN \", 127, \"GC\", 96.10D0, F), &\n & MEMBER(\"FURANO2 \", 128, \"GC\", 145.10D0, F), &\n & MEMBER(\"PROG \", 126, \"GC\", 76.10D0, F), &\n & MEMBER(\"SESQ \", 132, \"GC\", 204.40D0, F), &\n & MEMBER(\"SESQNRO2 \", 134, \"GC\", 298.40D0, F), &\n & MEMBER(\"VROCN2OXY2 \", 162, \"GC\", 282.40D0, F), &\n & MEMBER(\"SESQRO2 \", 133, \"GC\", 253.40D0, F), &\n & MEMBER(\"VROCP0OXY2 \", 168, \"GC\", 242.40D0, F), &\n & MEMBER(\"VROCP1OXY3 \", 171, \"GC\", 202.30D0, F), &\n & MEMBER(\"AGLYJ \", 188, \"AE\", 66.40D0, T), &\n & MEMBER(\"IEPOXP \", 108, \"GC\", 118.10D0, F), &\n & MEMBER(\"AISO3NOSJ \", 262, \"AE\", 136.20D0, T), &\n & MEMBER(\"ASO4J \", 179, \"AE\", 96.00D0, T), &\n & MEMBER(\"AISO3OSJ \", 263, \"AE\", 216.20D0, T), &\n & MEMBER(\"VROCP6ALK \", 149, \"GC\", 184.37D0, F), &\n & MEMBER(\"VROCP6ALKP \", 155, \"GC\", 215.36D0, F), &\n & MEMBER(\"VROCP5ALK \", 148, \"GC\", 198.39D0, F), &\n & MEMBER(\"VROCP5ALKP \", 154, \"GC\", 229.38D0, F), &\n & MEMBER(\"VROCP4ALK \", 147, \"GC\", 254.50D0, F), &\n & MEMBER(\"VROCP4ALKP \", 153, \"GC\", 285.49D0, F), &\n & MEMBER(\"VROCP3ALK \", 146, \"GC\", 296.58D0, F), &\n & MEMBER(\"VROCP3ALKP \", 152, \"GC\", 327.57D0, F), &\n & MEMBER(\"VROCP2ALK \", 145, \"GC\", 338.66D0, F), &\n & MEMBER(\"VROCP2ALKP \", 151, \"GC\", 369.65D0, F), &\n & MEMBER(\"VROCP1ALK \", 144, \"GC\", 380.75D0, F), &\n & MEMBER(\"VROCP1ALKP \", 150, \"GC\", 411.74D0, F), &\n & MEMBER(\"HC10 \", 51, \"GC\", 142.28D0, F), &\n & MEMBER(\"VROCP6ALKP2 \", 161, \"GC\", 231.36D0, F), &\n & MEMBER(\"VROCP5ALKP2 \", 160, \"GC\", 245.38D0, F), &\n & MEMBER(\"VROCP4ALKP2 \", 159, \"GC\", 301.49D0, F), &\n & MEMBER(\"VROCP2OXY2 \", 172, \"GC\", 200.30D0, F), &\n & MEMBER(\"VROCP3ALKP2 \", 158, \"GC\", 343.57D0, F), &\n & MEMBER(\"VROCP1OXY1 \", 170, \"GC\", 270.50D0, F), &\n & MEMBER(\"VROCP2ALKP2 \", 157, \"GC\", 385.65D0, F), &\n & MEMBER(\"VROCP1ALKP2 \", 156, \"GC\", 427.73D0, F), &\n & MEMBER(\"VROCN1OXY1 \", 165, \"GC\", 312.50D0, F), &\n & MEMBER(\"HC10P2 \", 53, \"GC\", 189.27D0, F), &\n & MEMBER(\"VROCP6ARO \", 138, \"GC\", 176.30D0, F), &\n & MEMBER(\"VROCP6AROP \", 140, \"GC\", 257.30D0, F), &\n & MEMBER(\"VROCN2OXY4 \", 163, \"GC\", 232.30D0, F), &\n & MEMBER(\"VROCN1OXY3 \", 166, \"GC\", 230.30D0, F), &\n & MEMBER(\"VROCP5ARO \", 137, \"GC\", 190.33D0, F), &\n & MEMBER(\"VROCP5AROP \", 139, \"GC\", 271.33D0, F), &\n & MEMBER(\"NAPH \", 135, \"GC\", 128.17D0, F), &\n & MEMBER(\"NAPHP \", 136, \"GC\", 209.17D0, F), &\n & MEMBER(\"VROCN2OXY8 \", 164, \"GC\", 194.20D0, F), &\n & MEMBER(\"VROCP5OXY1 \", 175, \"GC\", 170.30D0, F), &\n & MEMBER(\"VROCP6OXY1 \", 176, \"GC\", 142.20D0, F) /)\n\n DATA CHEMISTRY_SPC( 1 ), SPECIES_MOLWT( 1 ) / 'O3 ', 48.00D0 /\n DATA CHEMISTRY_SPC( 2 ), SPECIES_MOLWT( 2 ) / 'O3P ', 16.00D0 /\n DATA CHEMISTRY_SPC( 3 ), SPECIES_MOLWT( 3 ) / 'O1D ', 16.00D0 /\n DATA CHEMISTRY_SPC( 4 ), SPECIES_MOLWT( 4 ) / 'H2O2 ', 34.00D0 /\n DATA CHEMISTRY_SPC( 5 ), SPECIES_MOLWT( 5 ) / 'HO ', 17.00D0 /\n DATA CHEMISTRY_SPC( 6 ), SPECIES_MOLWT( 6 ) / 'NO2 ', 46.00D0 /\n DATA CHEMISTRY_SPC( 7 ), SPECIES_MOLWT( 7 ) / 'NO ', 30.00D0 /\n DATA CHEMISTRY_SPC( 8 ), SPECIES_MOLWT( 8 ) / 'NO3 ', 62.00D0 /\n DATA CHEMISTRY_SPC( 9 ), SPECIES_MOLWT( 9 ) / 'HONO ', 47.00D0 /\n DATA CHEMISTRY_SPC( 10 ), SPECIES_MOLWT( 10 ) / 'HNO3 ', 63.00D0 /\n DATA CHEMISTRY_SPC( 11 ), SPECIES_MOLWT( 11 ) / 'HNO4 ', 79.00D0 /\n DATA CHEMISTRY_SPC( 12 ), SPECIES_MOLWT( 12 ) / 'HO2 ', 33.00D0 /\n DATA CHEMISTRY_SPC( 13 ), SPECIES_MOLWT( 13 ) / 'HCHO ', 30.00D0 /\n DATA CHEMISTRY_SPC( 14 ), SPECIES_MOLWT( 14 ) / 'CO ', 28.00D0 /\n DATA CHEMISTRY_SPC( 15 ), SPECIES_MOLWT( 15 ) / 'ACD ', 44.00D0 /\n DATA CHEMISTRY_SPC( 16 ), SPECIES_MOLWT( 16 ) / 'MO2 ', 47.00D0 /\n DATA CHEMISTRY_SPC( 17 ), SPECIES_MOLWT( 17 ) / 'ALD ', 58.00D0 /\n DATA CHEMISTRY_SPC( 18 ), SPECIES_MOLWT( 18 ) / 'ETHP ', 61.00D0 /\n DATA CHEMISTRY_SPC( 19 ), SPECIES_MOLWT( 19 ) / 'ACT ', 58.00D0 /\n DATA CHEMISTRY_SPC( 20 ), SPECIES_MOLWT( 20 ) / 'ACO3 ', 75.00D0 /\n DATA CHEMISTRY_SPC( 21 ), SPECIES_MOLWT( 21 ) / 'UALD ', 84.10D0 /\n DATA CHEMISTRY_SPC( 22 ), SPECIES_MOLWT( 22 ) / 'KET ', 86.00D0 /\n DATA CHEMISTRY_SPC( 23 ), SPECIES_MOLWT( 23 ) / 'PINAL ', 168.00D0 /\n DATA CHEMISTRY_SPC( 24 ), SPECIES_MOLWT( 24 ) / 'HC10P ', 173.27D0 /\n DATA CHEMISTRY_SPC( 25 ), SPECIES_MOLWT( 25 ) / 'LIMAL ', 168.00D0 /\n DATA CHEMISTRY_SPC( 26 ), SPECIES_MOLWT( 26 ) / 'MEK ', 72.10D0 /\n DATA CHEMISTRY_SPC( 27 ), SPECIES_MOLWT( 27 ) / 'HKET ', 74.00D0 /\n DATA CHEMISTRY_SPC( 28 ), SPECIES_MOLWT( 28 ) / 'MACR ', 70.00D0 /\n DATA CHEMISTRY_SPC( 29 ), SPECIES_MOLWT( 29 ) / 'MACP ', 101.00D0 /\n DATA CHEMISTRY_SPC( 30 ), SPECIES_MOLWT( 30 ) / 'XO2 ', 1.00D0 /\n DATA CHEMISTRY_SPC( 31 ), SPECIES_MOLWT( 31 ) / 'MVK ', 70.10D0 /\n DATA CHEMISTRY_SPC( 32 ), SPECIES_MOLWT( 32 ) / 'GLY ', 58.00D0 /\n DATA CHEMISTRY_SPC( 33 ), SPECIES_MOLWT( 33 ) / 'MGLY ', 72.00D0 /\n DATA CHEMISTRY_SPC( 34 ), SPECIES_MOLWT( 34 ) / 'DCB1 ', 98.00D0 /\n DATA CHEMISTRY_SPC( 35 ), SPECIES_MOLWT( 35 ) / 'DCB2 ', 112.10D0 /\n DATA CHEMISTRY_SPC( 36 ), SPECIES_MOLWT( 36 ) / 'BALD ', 106.00D0 /\n DATA CHEMISTRY_SPC( 37 ), SPECIES_MOLWT( 37 ) / 'CHO ', 139.00D0 /\n DATA CHEMISTRY_SPC( 38 ), SPECIES_MOLWT( 38 ) / 'OP1 ', 48.00D0 /\n DATA CHEMISTRY_SPC( 39 ), SPECIES_MOLWT( 39 ) / 'OP2 ', 62.00D0 /\n DATA CHEMISTRY_SPC( 40 ), SPECIES_MOLWT( 40 ) / 'OPB ', 186.20D0 /\n DATA CHEMISTRY_SPC( 41 ), SPECIES_MOLWT( 41 ) / 'OP3 ', 176.20D0 /\n DATA CHEMISTRY_SPC( 42 ), SPECIES_MOLWT( 42 ) / 'PAA ', 76.00D0 /\n DATA CHEMISTRY_SPC( 43 ), SPECIES_MOLWT( 43 ) / 'ONIT ', 119.00D0 /\n DATA CHEMISTRY_SPC( 44 ), SPECIES_MOLWT( 44 ) / 'PAN ', 121.00D0 /\n DATA CHEMISTRY_SPC( 45 ), SPECIES_MOLWT( 45 ) / 'N2O5 ', 108.00D0 /\n DATA CHEMISTRY_SPC( 46 ), SPECIES_MOLWT( 46 ) / 'SO2 ', 64.00D0 /\n DATA CHEMISTRY_SPC( 47 ), SPECIES_MOLWT( 47 ) / 'SULF ', 98.00D0 /\n DATA CHEMISTRY_SPC( 48 ), SPECIES_MOLWT( 48 ) / 'SULRXN ', 98.00D0 /\n DATA CHEMISTRY_SPC( 49 ), SPECIES_MOLWT( 49 ) / 'ETH ', 30.10D0 /\n DATA CHEMISTRY_SPC( 50 ), SPECIES_MOLWT( 50 ) / 'HC3 ', 44.10D0 /\n DATA CHEMISTRY_SPC( 51 ), SPECIES_MOLWT( 51 ) / 'HC3P ', 75.00D0 /\n DATA CHEMISTRY_SPC( 52 ), SPECIES_MOLWT( 52 ) / 'ASOATJ ', 200.00D0 /\n DATA CHEMISTRY_SPC( 53 ), SPECIES_MOLWT( 53 ) / 'HC5 ', 72.10D0 /\n DATA CHEMISTRY_SPC( 54 ), SPECIES_MOLWT( 54 ) / 'HC5P ', 103.00D0 /\n DATA CHEMISTRY_SPC( 55 ), SPECIES_MOLWT( 55 ) / 'ETE ', 28.10D0 /\n DATA CHEMISTRY_SPC( 56 ), SPECIES_MOLWT( 56 ) / 'ETEP ', 77.00D0 /\n DATA CHEMISTRY_SPC( 57 ), SPECIES_MOLWT( 57 ) / 'OLT ', 42.00D0 /\n DATA CHEMISTRY_SPC( 58 ), SPECIES_MOLWT( 58 ) / 'OLTP ', 91.00D0 /\n DATA CHEMISTRY_SPC( 59 ), SPECIES_MOLWT( 59 ) / 'OLI ', 70.10D0 /\n DATA CHEMISTRY_SPC( 60 ), SPECIES_MOLWT( 60 ) / 'OLIP ', 119.00D0 /\n DATA CHEMISTRY_SPC( 61 ), SPECIES_MOLWT( 61 ) / 'ACE ', 26.00D0 /\n DATA CHEMISTRY_SPC( 62 ), SPECIES_MOLWT( 62 ) / 'ORA1 ', 46.00D0 /\n DATA CHEMISTRY_SPC( 63 ), SPECIES_MOLWT( 63 ) / 'BEN ', 78.11D0 /\n DATA CHEMISTRY_SPC( 64 ), SPECIES_MOLWT( 64 ) / 'BENP ', 159.12D0 /\n DATA CHEMISTRY_SPC( 65 ), SPECIES_MOLWT( 65 ) / 'PHEN ', 110.10D0 /\n DATA CHEMISTRY_SPC( 66 ), SPECIES_MOLWT( 66 ) / 'TOL ', 92.14D0 /\n DATA CHEMISTRY_SPC( 67 ), SPECIES_MOLWT( 67 ) / 'TOLP ', 173.14D0 /\n DATA CHEMISTRY_SPC( 68 ), SPECIES_MOLWT( 68 ) / 'CSL ', 136.20D0 /\n DATA CHEMISTRY_SPC( 69 ), SPECIES_MOLWT( 69 ) / 'XYM ', 106.20D0 /\n DATA CHEMISTRY_SPC( 70 ), SPECIES_MOLWT( 70 ) / 'XYMP ', 187.17D0 /\n DATA CHEMISTRY_SPC( 71 ), SPECIES_MOLWT( 71 ) / 'XYE ', 106.20D0 /\n DATA CHEMISTRY_SPC( 72 ), SPECIES_MOLWT( 72 ) / 'XYEP ', 187.17D0 /\n DATA CHEMISTRY_SPC( 73 ), SPECIES_MOLWT( 73 ) / 'ISO ', 68.10D0 /\n DATA CHEMISTRY_SPC( 74 ), SPECIES_MOLWT( 74 ) / 'ISOP ', 117.00D0 /\n DATA CHEMISTRY_SPC( 75 ), SPECIES_MOLWT( 75 ) / 'API ', 136.40D0 /\n DATA CHEMISTRY_SPC( 76 ), SPECIES_MOLWT( 76 ) / 'APIP1 ', 185.00D0 /\n DATA CHEMISTRY_SPC( 77 ), SPECIES_MOLWT( 77 ) / 'APIP2 ', 185.00D0 /\n DATA CHEMISTRY_SPC( 78 ), SPECIES_MOLWT( 78 ) / 'LIM ', 136.30D0 /\n DATA CHEMISTRY_SPC( 79 ), SPECIES_MOLWT( 79 ) / 'LIMP1 ', 185.00D0 /\n DATA CHEMISTRY_SPC( 80 ), SPECIES_MOLWT( 80 ) / 'LIMP2 ', 185.00D0 /\n DATA CHEMISTRY_SPC( 81 ), SPECIES_MOLWT( 81 ) / 'PINALP ', 199.00D0 /\n DATA CHEMISTRY_SPC( 82 ), SPECIES_MOLWT( 82 ) / 'RCO3 ', 89.00D0 /\n DATA CHEMISTRY_SPC( 83 ), SPECIES_MOLWT( 83 ) / 'LIMALP ', 217.00D0 /\n DATA CHEMISTRY_SPC( 84 ), SPECIES_MOLWT( 84 ) / 'ACTP ', 89.00D0 /\n DATA CHEMISTRY_SPC( 85 ), SPECIES_MOLWT( 85 ) / 'MEKP ', 103.00D0 /\n DATA CHEMISTRY_SPC( 86 ), SPECIES_MOLWT( 86 ) / 'KETP ', 117.00D0 /\n DATA CHEMISTRY_SPC( 87 ), SPECIES_MOLWT( 87 ) / 'MCP ', 119.00D0 /\n DATA CHEMISTRY_SPC( 88 ), SPECIES_MOLWT( 88 ) / 'MVKP ', 119.00D0 /\n DATA CHEMISTRY_SPC( 89 ), SPECIES_MOLWT( 89 ) / 'UALP ', 133.00D0 /\n DATA CHEMISTRY_SPC( 90 ), SPECIES_MOLWT( 90 ) / 'DCB3 ', 84.00D0 /\n DATA CHEMISTRY_SPC( 91 ), SPECIES_MOLWT( 91 ) / 'BALP ', 137.00D0 /\n DATA CHEMISTRY_SPC( 92 ), SPECIES_MOLWT( 92 ) / 'ADDC ', 125.00D0 /\n DATA CHEMISTRY_SPC( 93 ), SPECIES_MOLWT( 93 ) / 'MCT ', 124.10D0 /\n DATA CHEMISTRY_SPC( 94 ), SPECIES_MOLWT( 94 ) / 'MCTO ', 123.00D0 /\n DATA CHEMISTRY_SPC( 95 ), SPECIES_MOLWT( 95 ) / 'MOH ', 32.00D0 /\n DATA CHEMISTRY_SPC( 96 ), SPECIES_MOLWT( 96 ) / 'EOH ', 46.10D0 /\n DATA CHEMISTRY_SPC( 97 ), SPECIES_MOLWT( 97 ) / 'ROH ', 60.00D0 /\n DATA CHEMISTRY_SPC( 98 ), SPECIES_MOLWT( 98 ) / 'ETEG ', 62.10D0 /\n DATA CHEMISTRY_SPC( 99 ), SPECIES_MOLWT( 99 ) / 'ISHP ', 118.00D0 /\n DATA CHEMISTRY_SPC( 100 ), SPECIES_MOLWT( 100 ) / 'IEPOX ', 118.10D0 /\n DATA CHEMISTRY_SPC( 101 ), SPECIES_MOLWT( 101 ) / 'MAHP ', 102.00D0 /\n DATA CHEMISTRY_SPC( 102 ), SPECIES_MOLWT( 102 ) / 'ORA2 ', 60.20D0 /\n DATA CHEMISTRY_SPC( 103 ), SPECIES_MOLWT( 103 ) / 'ORAP ', 91.00D0 /\n DATA CHEMISTRY_SPC( 104 ), SPECIES_MOLWT( 104 ) / 'PPN ', 135.00D0 /\n DATA CHEMISTRY_SPC( 105 ), SPECIES_MOLWT( 105 ) / 'MPAN ', 147.10D0 /\n DATA CHEMISTRY_SPC( 106 ), SPECIES_MOLWT( 106 ) / 'TRPN ', 215.00D0 /\n DATA CHEMISTRY_SPC( 107 ), SPECIES_MOLWT( 107 ) / 'HOM ', 250.00D0 /\n DATA CHEMISTRY_SPC( 108 ), SPECIES_MOLWT( 108 ) / 'NALD ', 105.00D0 /\n DATA CHEMISTRY_SPC( 109 ), SPECIES_MOLWT( 109 ) / 'ISON ', 147.00D0 /\n DATA CHEMISTRY_SPC( 110 ), SPECIES_MOLWT( 110 ) / 'MCTP ', 172.00D0 /\n DATA CHEMISTRY_SPC( 111 ), SPECIES_MOLWT( 111 ) / 'OLNN ', 136.00D0 /\n DATA CHEMISTRY_SPC( 112 ), SPECIES_MOLWT( 112 ) / 'OLND ', 136.00D0 /\n DATA CHEMISTRY_SPC( 113 ), SPECIES_MOLWT( 113 ) / 'APINP1 ', 230.00D0 /\n DATA CHEMISTRY_SPC( 114 ), SPECIES_MOLWT( 114 ) / 'APINP2 ', 230.00D0 /\n DATA CHEMISTRY_SPC( 115 ), SPECIES_MOLWT( 115 ) / 'LIMNP1 ', 230.00D0 /\n DATA CHEMISTRY_SPC( 116 ), SPECIES_MOLWT( 116 ) / 'LIMNP2 ', 230.00D0 /\n DATA CHEMISTRY_SPC( 117 ), SPECIES_MOLWT( 117 ) / 'ADCN ', 155.00D0 /\n DATA CHEMISTRY_SPC( 118 ), SPECIES_MOLWT( 118 ) / 'VROCP4OXY2 ', 158.20D0 /\n DATA CHEMISTRY_SPC( 119 ), SPECIES_MOLWT( 119 ) / 'VROCN1OXY6 ', 190.20D0 /\n DATA CHEMISTRY_SPC( 120 ), SPECIES_MOLWT( 120 ) / 'FURANONE ', 100.10D0 /\n DATA CHEMISTRY_SPC( 121 ), SPECIES_MOLWT( 121 ) / 'VROCP3OXY2 ', 186.30D0 /\n DATA CHEMISTRY_SPC( 122 ), SPECIES_MOLWT( 122 ) / 'VROCP0OXY4 ', 202.30D0 /\n DATA CHEMISTRY_SPC( 123 ), SPECIES_MOLWT( 123 ) / 'BAL1 ', 123.00D0 /\n DATA CHEMISTRY_SPC( 124 ), SPECIES_MOLWT( 124 ) / 'BAL2 ', 109.00D0 /\n DATA CHEMISTRY_SPC( 125 ), SPECIES_MOLWT( 125 ) / 'ELHOM ', 402.00D0 /\n DATA CHEMISTRY_SPC( 126 ), SPECIES_MOLWT( 126 ) / 'VROCIOXY ', 247.00D0 /\n DATA CHEMISTRY_SPC( 127 ), SPECIES_MOLWT( 127 ) / 'SLOWROC ', 75.40D0 /\n DATA CHEMISTRY_SPC( 128 ), SPECIES_MOLWT( 128 ) / 'ACRO ', 56.10D0 /\n DATA CHEMISTRY_SPC( 129 ), SPECIES_MOLWT( 129 ) / 'BDE13 ', 54.10D0 /\n DATA CHEMISTRY_SPC( 130 ), SPECIES_MOLWT( 130 ) / 'BDE13P ', 103.00D0 /\n DATA CHEMISTRY_SPC( 131 ), SPECIES_MOLWT( 131 ) / 'FURAN ', 96.10D0 /\n DATA CHEMISTRY_SPC( 132 ), SPECIES_MOLWT( 132 ) / 'FURANO2 ', 145.10D0 /\n DATA CHEMISTRY_SPC( 133 ), SPECIES_MOLWT( 133 ) / 'PROG ', 76.10D0 /\n DATA CHEMISTRY_SPC( 134 ), SPECIES_MOLWT( 134 ) / 'SESQ ', 204.40D0 /\n DATA CHEMISTRY_SPC( 135 ), SPECIES_MOLWT( 135 ) / 'SESQNRO2 ', 298.40D0 /\n DATA CHEMISTRY_SPC( 136 ), SPECIES_MOLWT( 136 ) / 'VROCN2OXY2 ', 282.40D0 /\n DATA CHEMISTRY_SPC( 137 ), SPECIES_MOLWT( 137 ) / 'SESQRO2 ', 253.40D0 /\n DATA CHEMISTRY_SPC( 138 ), SPECIES_MOLWT( 138 ) / 'VROCP0OXY2 ', 242.40D0 /\n DATA CHEMISTRY_SPC( 139 ), SPECIES_MOLWT( 139 ) / 'VROCP1OXY3 ', 202.30D0 /\n DATA CHEMISTRY_SPC( 140 ), SPECIES_MOLWT( 140 ) / 'AGLYJ ', 66.40D0 /\n DATA CHEMISTRY_SPC( 141 ), SPECIES_MOLWT( 141 ) / 'IEPOXP ', 118.10D0 /\n DATA CHEMISTRY_SPC( 142 ), SPECIES_MOLWT( 142 ) / 'AISO3NOSJ ', 136.20D0 /\n DATA CHEMISTRY_SPC( 143 ), SPECIES_MOLWT( 143 ) / 'ASO4J ', 96.00D0 /\n DATA CHEMISTRY_SPC( 144 ), SPECIES_MOLWT( 144 ) / 'AISO3OSJ ', 216.20D0 /\n DATA CHEMISTRY_SPC( 145 ), SPECIES_MOLWT( 145 ) / 'VROCP6ALK ', 184.37D0 /\n DATA CHEMISTRY_SPC( 146 ), SPECIES_MOLWT( 146 ) / 'VROCP6ALKP ', 215.36D0 /\n DATA CHEMISTRY_SPC( 147 ), SPECIES_MOLWT( 147 ) / 'VROCP5ALK ', 198.39D0 /\n DATA CHEMISTRY_SPC( 148 ), SPECIES_MOLWT( 148 ) / 'VROCP5ALKP ', 229.38D0 /\n DATA CHEMISTRY_SPC( 149 ), SPECIES_MOLWT( 149 ) / 'VROCP4ALK ', 254.50D0 /\n DATA CHEMISTRY_SPC( 150 ), SPECIES_MOLWT( 150 ) / 'VROCP4ALKP ', 285.49D0 /\n DATA CHEMISTRY_SPC( 151 ), SPECIES_MOLWT( 151 ) / 'VROCP3ALK ', 296.58D0 /\n DATA CHEMISTRY_SPC( 152 ), SPECIES_MOLWT( 152 ) / 'VROCP3ALKP ', 327.57D0 /\n DATA CHEMISTRY_SPC( 153 ), SPECIES_MOLWT( 153 ) / 'VROCP2ALK ', 338.66D0 /\n DATA CHEMISTRY_SPC( 154 ), SPECIES_MOLWT( 154 ) / 'VROCP2ALKP ', 369.65D0 /\n DATA CHEMISTRY_SPC( 155 ), SPECIES_MOLWT( 155 ) / 'VROCP1ALK ', 380.75D0 /\n DATA CHEMISTRY_SPC( 156 ), SPECIES_MOLWT( 156 ) / 'VROCP1ALKP ', 411.74D0 /\n DATA CHEMISTRY_SPC( 157 ), SPECIES_MOLWT( 157 ) / 'HC10 ', 142.28D0 /\n DATA CHEMISTRY_SPC( 158 ), SPECIES_MOLWT( 158 ) / 'VROCP6ALKP2 ', 231.36D0 /\n DATA CHEMISTRY_SPC( 159 ), SPECIES_MOLWT( 159 ) / 'VROCP5ALKP2 ', 245.38D0 /\n DATA CHEMISTRY_SPC( 160 ), SPECIES_MOLWT( 160 ) / 'VROCP4ALKP2 ', 301.49D0 /\n DATA CHEMISTRY_SPC( 161 ), SPECIES_MOLWT( 161 ) / 'VROCP2OXY2 ', 200.30D0 /\n DATA CHEMISTRY_SPC( 162 ), SPECIES_MOLWT( 162 ) / 'VROCP3ALKP2 ', 343.57D0 /\n DATA CHEMISTRY_SPC( 163 ), SPECIES_MOLWT( 163 ) / 'VROCP1OXY1 ', 270.50D0 /\n DATA CHEMISTRY_SPC( 164 ), SPECIES_MOLWT( 164 ) / 'VROCP2ALKP2 ', 385.65D0 /\n DATA CHEMISTRY_SPC( 165 ), SPECIES_MOLWT( 165 ) / 'VROCP1ALKP2 ', 427.73D0 /\n DATA CHEMISTRY_SPC( 166 ), SPECIES_MOLWT( 166 ) / 'VROCN1OXY1 ', 312.50D0 /\n DATA CHEMISTRY_SPC( 167 ), SPECIES_MOLWT( 167 ) / 'HC10P2 ', 189.27D0 /\n DATA CHEMISTRY_SPC( 168 ), SPECIES_MOLWT( 168 ) / 'VROCP6ARO ', 176.30D0 /\n DATA CHEMISTRY_SPC( 169 ), SPECIES_MOLWT( 169 ) / 'VROCP6AROP ', 257.30D0 /\n DATA CHEMISTRY_SPC( 170 ), SPECIES_MOLWT( 170 ) / 'VROCN2OXY4 ', 232.30D0 /\n DATA CHEMISTRY_SPC( 171 ), SPECIES_MOLWT( 171 ) / 'VROCN1OXY3 ', 230.30D0 /\n DATA CHEMISTRY_SPC( 172 ), SPECIES_MOLWT( 172 ) / 'VROCP5ARO ', 190.33D0 /\n DATA CHEMISTRY_SPC( 173 ), SPECIES_MOLWT( 173 ) / 'VROCP5AROP ', 271.33D0 /\n DATA CHEMISTRY_SPC( 174 ), SPECIES_MOLWT( 174 ) / 'NAPH ', 128.17D0 /\n DATA CHEMISTRY_SPC( 175 ), SPECIES_MOLWT( 175 ) / 'NAPHP ', 209.17D0 /\n DATA CHEMISTRY_SPC( 176 ), SPECIES_MOLWT( 176 ) / 'VROCN2OXY8 ', 194.20D0 /\n DATA CHEMISTRY_SPC( 177 ), SPECIES_MOLWT( 177 ) / 'VROCP5OXY1 ', 170.30D0 /\n DATA CHEMISTRY_SPC( 178 ), SPECIES_MOLWT( 178 ) / 'VROCP6OXY1 ', 142.20D0 /\n\n\n DATA CGRID_INDEX( 1 ), SPECIES_TYPE( 1 ), CONVERT_CONC( 1 ) / 1, 'GC', F / ! O3\n DATA CGRID_INDEX( 2 ), SPECIES_TYPE( 2 ), CONVERT_CONC( 2 ) / 2, 'GC', F / ! O3P\n DATA CGRID_INDEX( 3 ), SPECIES_TYPE( 3 ), CONVERT_CONC( 3 ) / 3, 'GC', F / ! O1D\n DATA CGRID_INDEX( 4 ), SPECIES_TYPE( 4 ), CONVERT_CONC( 4 ) / 4, 'GC', F / ! H2O2\n DATA CGRID_INDEX( 5 ), SPECIES_TYPE( 5 ), CONVERT_CONC( 5 ) / 5, 'GC', F / ! HO\n DATA CGRID_INDEX( 6 ), SPECIES_TYPE( 6 ), CONVERT_CONC( 6 ) / 6, 'GC', F / ! NO2\n DATA CGRID_INDEX( 7 ), SPECIES_TYPE( 7 ), CONVERT_CONC( 7 ) / 7, 'GC', F / ! NO\n DATA CGRID_INDEX( 8 ), SPECIES_TYPE( 8 ), CONVERT_CONC( 8 ) / 8, 'GC', F / ! NO3\n DATA CGRID_INDEX( 9 ), SPECIES_TYPE( 9 ), CONVERT_CONC( 9 ) / 9, 'GC', F / ! HONO\n DATA CGRID_INDEX( 10 ), SPECIES_TYPE( 10 ), CONVERT_CONC( 10 ) / 10, 'GC', F / ! HNO3\n DATA CGRID_INDEX( 11 ), SPECIES_TYPE( 11 ), CONVERT_CONC( 11 ) / 11, 'GC', F / ! HNO4\n DATA CGRID_INDEX( 12 ), SPECIES_TYPE( 12 ), CONVERT_CONC( 12 ) / 12, 'GC', F / ! HO2\n DATA CGRID_INDEX( 13 ), SPECIES_TYPE( 13 ), CONVERT_CONC( 13 ) / 13, 'GC', F / ! HCHO\n DATA CGRID_INDEX( 14 ), SPECIES_TYPE( 14 ), CONVERT_CONC( 14 ) / 14, 'GC', F / ! CO\n DATA CGRID_INDEX( 15 ), SPECIES_TYPE( 15 ), CONVERT_CONC( 15 ) / 15, 'GC', F / ! ACD\n DATA CGRID_INDEX( 16 ), SPECIES_TYPE( 16 ), CONVERT_CONC( 16 ) / 16, 'GC', F / ! MO2\n DATA CGRID_INDEX( 17 ), SPECIES_TYPE( 17 ), CONVERT_CONC( 17 ) / 17, 'GC', F / ! ALD\n DATA CGRID_INDEX( 18 ), SPECIES_TYPE( 18 ), CONVERT_CONC( 18 ) / 18, 'GC', F / ! ETHP\n DATA CGRID_INDEX( 19 ), SPECIES_TYPE( 19 ), CONVERT_CONC( 19 ) / 19, 'GC', F / ! ACT\n DATA CGRID_INDEX( 20 ), SPECIES_TYPE( 20 ), CONVERT_CONC( 20 ) / 20, 'GC', F / ! ACO3\n DATA CGRID_INDEX( 21 ), SPECIES_TYPE( 21 ), CONVERT_CONC( 21 ) / 21, 'GC', F / ! UALD\n DATA CGRID_INDEX( 22 ), SPECIES_TYPE( 22 ), CONVERT_CONC( 22 ) / 22, 'GC', F / ! KET\n DATA CGRID_INDEX( 23 ), SPECIES_TYPE( 23 ), CONVERT_CONC( 23 ) / 79, 'GC', F / ! PINAL\n DATA CGRID_INDEX( 24 ), SPECIES_TYPE( 24 ), CONVERT_CONC( 24 ) / 52, 'GC', F / ! HC10P\n DATA CGRID_INDEX( 25 ), SPECIES_TYPE( 25 ), CONVERT_CONC( 25 ) / 86, 'GC', F / ! LIMAL\n DATA CGRID_INDEX( 26 ), SPECIES_TYPE( 26 ), CONVERT_CONC( 26 ) / 23, 'GC', F / ! MEK\n DATA CGRID_INDEX( 27 ), SPECIES_TYPE( 27 ), CONVERT_CONC( 27 ) / 24, 'GC', F / ! HKET\n DATA CGRID_INDEX( 28 ), SPECIES_TYPE( 28 ), CONVERT_CONC( 28 ) / 25, 'GC', F / ! MACR\n DATA CGRID_INDEX( 29 ), SPECIES_TYPE( 29 ), CONVERT_CONC( 29 ) / 26, 'GC', F / ! MACP\n DATA CGRID_INDEX( 30 ), SPECIES_TYPE( 30 ), CONVERT_CONC( 30 ) / 27, 'GC', F / ! XO2\n DATA CGRID_INDEX( 31 ), SPECIES_TYPE( 31 ), CONVERT_CONC( 31 ) / 28, 'GC', F / ! MVK\n DATA CGRID_INDEX( 32 ), SPECIES_TYPE( 32 ), CONVERT_CONC( 32 ) / 29, 'GC', F / ! GLY\n DATA CGRID_INDEX( 33 ), SPECIES_TYPE( 33 ), CONVERT_CONC( 33 ) / 30, 'GC', F / ! MGLY\n DATA CGRID_INDEX( 34 ), SPECIES_TYPE( 34 ), CONVERT_CONC( 34 ) / 31, 'GC', F / ! DCB1\n DATA CGRID_INDEX( 35 ), SPECIES_TYPE( 35 ), CONVERT_CONC( 35 ) / 32, 'GC', F / ! DCB2\n DATA CGRID_INDEX( 36 ), SPECIES_TYPE( 36 ), CONVERT_CONC( 36 ) / 33, 'GC', F / ! BALD\n DATA CGRID_INDEX( 37 ), SPECIES_TYPE( 37 ), CONVERT_CONC( 37 ) / 34, 'GC', F / ! CHO\n DATA CGRID_INDEX( 38 ), SPECIES_TYPE( 38 ), CONVERT_CONC( 38 ) / 35, 'GC', F / ! OP1\n DATA CGRID_INDEX( 39 ), SPECIES_TYPE( 39 ), CONVERT_CONC( 39 ) / 36, 'GC', F / ! OP2\n DATA CGRID_INDEX( 40 ), SPECIES_TYPE( 40 ), CONVERT_CONC( 40 ) / 37, 'GC', F / ! OPB\n DATA CGRID_INDEX( 41 ), SPECIES_TYPE( 41 ), CONVERT_CONC( 41 ) / 38, 'GC', F / ! OP3\n DATA CGRID_INDEX( 42 ), SPECIES_TYPE( 42 ), CONVERT_CONC( 42 ) / 39, 'GC', F / ! PAA\n DATA CGRID_INDEX( 43 ), SPECIES_TYPE( 43 ), CONVERT_CONC( 43 ) / 40, 'GC', F / ! ONIT\n DATA CGRID_INDEX( 44 ), SPECIES_TYPE( 44 ), CONVERT_CONC( 44 ) / 41, 'GC', F / ! PAN\n DATA CGRID_INDEX( 45 ), SPECIES_TYPE( 45 ), CONVERT_CONC( 45 ) / 42, 'GC', F / ! N2O5\n DATA CGRID_INDEX( 46 ), SPECIES_TYPE( 46 ), CONVERT_CONC( 46 ) / 43, 'GC', F / ! SO2\n DATA CGRID_INDEX( 47 ), SPECIES_TYPE( 47 ), CONVERT_CONC( 47 ) / 44, 'GC', F / ! SULF\n DATA CGRID_INDEX( 48 ), SPECIES_TYPE( 48 ), CONVERT_CONC( 48 ) / 45, 'GC', F / ! SULRXN\n DATA CGRID_INDEX( 49 ), SPECIES_TYPE( 49 ), CONVERT_CONC( 49 ) / 46, 'GC', F / ! ETH\n DATA CGRID_INDEX( 50 ), SPECIES_TYPE( 50 ), CONVERT_CONC( 50 ) / 47, 'GC', F / ! HC3\n DATA CGRID_INDEX( 51 ), SPECIES_TYPE( 51 ), CONVERT_CONC( 51 ) / 48, 'GC', F / ! HC3P\n DATA CGRID_INDEX( 52 ), SPECIES_TYPE( 52 ), CONVERT_CONC( 52 ) / 187, 'AE', T / ! ASOATJ\n DATA CGRID_INDEX( 53 ), SPECIES_TYPE( 53 ), CONVERT_CONC( 53 ) / 49, 'GC', F / ! HC5\n DATA CGRID_INDEX( 54 ), SPECIES_TYPE( 54 ), CONVERT_CONC( 54 ) / 50, 'GC', F / ! HC5P\n DATA CGRID_INDEX( 55 ), SPECIES_TYPE( 55 ), CONVERT_CONC( 55 ) / 54, 'GC', F / ! ETE\n DATA CGRID_INDEX( 56 ), SPECIES_TYPE( 56 ), CONVERT_CONC( 56 ) / 55, 'GC', F / ! ETEP\n DATA CGRID_INDEX( 57 ), SPECIES_TYPE( 57 ), CONVERT_CONC( 57 ) / 56, 'GC', F / ! OLT\n DATA CGRID_INDEX( 58 ), SPECIES_TYPE( 58 ), CONVERT_CONC( 58 ) / 57, 'GC', F / ! OLTP\n DATA CGRID_INDEX( 59 ), SPECIES_TYPE( 59 ), CONVERT_CONC( 59 ) / 58, 'GC', F / ! OLI\n DATA CGRID_INDEX( 60 ), SPECIES_TYPE( 60 ), CONVERT_CONC( 60 ) / 59, 'GC', F / ! OLIP\n DATA CGRID_INDEX( 61 ), SPECIES_TYPE( 61 ), CONVERT_CONC( 61 ) / 60, 'GC', F / ! ACE\n DATA CGRID_INDEX( 62 ), SPECIES_TYPE( 62 ), CONVERT_CONC( 62 ) / 61, 'GC', F / ! ORA1\n DATA CGRID_INDEX( 63 ), SPECIES_TYPE( 63 ), CONVERT_CONC( 63 ) / 62, 'GC', F / ! BEN\n DATA CGRID_INDEX( 64 ), SPECIES_TYPE( 64 ), CONVERT_CONC( 64 ) / 63, 'GC', F / ! BENP\n DATA CGRID_INDEX( 65 ), SPECIES_TYPE( 65 ), CONVERT_CONC( 65 ) / 64, 'GC', F / ! PHEN\n DATA CGRID_INDEX( 66 ), SPECIES_TYPE( 66 ), CONVERT_CONC( 66 ) / 65, 'GC', F / ! TOL\n DATA CGRID_INDEX( 67 ), SPECIES_TYPE( 67 ), CONVERT_CONC( 67 ) / 69, 'GC', F / ! TOLP\n DATA CGRID_INDEX( 68 ), SPECIES_TYPE( 68 ), CONVERT_CONC( 68 ) / 66, 'GC', F / ! CSL\n DATA CGRID_INDEX( 69 ), SPECIES_TYPE( 69 ), CONVERT_CONC( 69 ) / 67, 'GC', F / ! XYM\n DATA CGRID_INDEX( 70 ), SPECIES_TYPE( 70 ), CONVERT_CONC( 70 ) / 70, 'GC', F / ! XYMP\n DATA CGRID_INDEX( 71 ), SPECIES_TYPE( 71 ), CONVERT_CONC( 71 ) / 68, 'GC', F / ! XYE\n DATA CGRID_INDEX( 72 ), SPECIES_TYPE( 72 ), CONVERT_CONC( 72 ) / 71, 'GC', F / ! XYEP\n DATA CGRID_INDEX( 73 ), SPECIES_TYPE( 73 ), CONVERT_CONC( 73 ) / 72, 'GC', F / ! ISO\n DATA CGRID_INDEX( 74 ), SPECIES_TYPE( 74 ), CONVERT_CONC( 74 ) / 73, 'GC', F / ! ISOP\n DATA CGRID_INDEX( 75 ), SPECIES_TYPE( 75 ), CONVERT_CONC( 75 ) / 74, 'GC', F / ! API\n DATA CGRID_INDEX( 76 ), SPECIES_TYPE( 76 ), CONVERT_CONC( 76 ) / 75, 'GC', F / ! APIP1\n DATA CGRID_INDEX( 77 ), SPECIES_TYPE( 77 ), CONVERT_CONC( 77 ) / 76, 'GC', F / ! APIP2\n DATA CGRID_INDEX( 78 ), SPECIES_TYPE( 78 ), CONVERT_CONC( 78 ) / 81, 'GC', F / ! LIM\n DATA CGRID_INDEX( 79 ), SPECIES_TYPE( 79 ), CONVERT_CONC( 79 ) / 82, 'GC', F / ! LIMP1\n DATA CGRID_INDEX( 80 ), SPECIES_TYPE( 80 ), CONVERT_CONC( 80 ) / 83, 'GC', F / ! LIMP2\n DATA CGRID_INDEX( 81 ), SPECIES_TYPE( 81 ), CONVERT_CONC( 81 ) / 80, 'GC', F / ! PINALP\n DATA CGRID_INDEX( 82 ), SPECIES_TYPE( 82 ), CONVERT_CONC( 82 ) / 90, 'GC', F / ! RCO3\n DATA CGRID_INDEX( 83 ), SPECIES_TYPE( 83 ), CONVERT_CONC( 83 ) / 87, 'GC', F / ! LIMALP\n DATA CGRID_INDEX( 84 ), SPECIES_TYPE( 84 ), CONVERT_CONC( 84 ) / 91, 'GC', F / ! ACTP\n DATA CGRID_INDEX( 85 ), SPECIES_TYPE( 85 ), CONVERT_CONC( 85 ) / 92, 'GC', F / ! MEKP\n DATA CGRID_INDEX( 86 ), SPECIES_TYPE( 86 ), CONVERT_CONC( 86 ) / 93, 'GC', F / ! KETP\n DATA CGRID_INDEX( 87 ), SPECIES_TYPE( 87 ), CONVERT_CONC( 87 ) / 94, 'GC', F / ! MCP\n DATA CGRID_INDEX( 88 ), SPECIES_TYPE( 88 ), CONVERT_CONC( 88 ) / 95, 'GC', F / ! MVKP\n DATA CGRID_INDEX( 89 ), SPECIES_TYPE( 89 ), CONVERT_CONC( 89 ) / 96, 'GC', F / ! UALP\n DATA CGRID_INDEX( 90 ), SPECIES_TYPE( 90 ), CONVERT_CONC( 90 ) / 97, 'GC', F / ! DCB3\n DATA CGRID_INDEX( 91 ), SPECIES_TYPE( 91 ), CONVERT_CONC( 91 ) / 98, 'GC', F / ! BALP\n DATA CGRID_INDEX( 92 ), SPECIES_TYPE( 92 ), CONVERT_CONC( 92 ) / 99, 'GC', F / ! ADDC\n DATA CGRID_INDEX( 93 ), SPECIES_TYPE( 93 ), CONVERT_CONC( 93 ) / 100, 'GC', F / ! MCT\n DATA CGRID_INDEX( 94 ), SPECIES_TYPE( 94 ), CONVERT_CONC( 94 ) / 101, 'GC', F / ! MCTO\n DATA CGRID_INDEX( 95 ), SPECIES_TYPE( 95 ), CONVERT_CONC( 95 ) / 102, 'GC', F / ! MOH\n DATA CGRID_INDEX( 96 ), SPECIES_TYPE( 96 ), CONVERT_CONC( 96 ) / 103, 'GC', F / ! EOH\n DATA CGRID_INDEX( 97 ), SPECIES_TYPE( 97 ), CONVERT_CONC( 97 ) / 104, 'GC', F / ! ROH\n DATA CGRID_INDEX( 98 ), SPECIES_TYPE( 98 ), CONVERT_CONC( 98 ) / 105, 'GC', F / ! ETEG\n DATA CGRID_INDEX( 99 ), SPECIES_TYPE( 99 ), CONVERT_CONC( 99 ) / 106, 'GC', F / ! ISHP\n DATA CGRID_INDEX( 100 ), SPECIES_TYPE( 100 ), CONVERT_CONC( 100 ) / 107, 'GC', F / ! IEPOX\n DATA CGRID_INDEX( 101 ), SPECIES_TYPE( 101 ), CONVERT_CONC( 101 ) / 109, 'GC', F / ! MAHP\n DATA CGRID_INDEX( 102 ), SPECIES_TYPE( 102 ), CONVERT_CONC( 102 ) / 110, 'GC', F / ! ORA2\n DATA CGRID_INDEX( 103 ), SPECIES_TYPE( 103 ), CONVERT_CONC( 103 ) / 111, 'GC', F / ! ORAP\n DATA CGRID_INDEX( 104 ), SPECIES_TYPE( 104 ), CONVERT_CONC( 104 ) / 112, 'GC', F / ! PPN\n DATA CGRID_INDEX( 105 ), SPECIES_TYPE( 105 ), CONVERT_CONC( 105 ) / 113, 'GC', F / ! MPAN\n DATA CGRID_INDEX( 106 ), SPECIES_TYPE( 106 ), CONVERT_CONC( 106 ) / 116, 'GC', F / ! TRPN\n DATA CGRID_INDEX( 107 ), SPECIES_TYPE( 107 ), CONVERT_CONC( 107 ) / 88, 'GC', F / ! HOM\n DATA CGRID_INDEX( 108 ), SPECIES_TYPE( 108 ), CONVERT_CONC( 108 ) / 114, 'GC', F / ! NALD\n DATA CGRID_INDEX( 109 ), SPECIES_TYPE( 109 ), CONVERT_CONC( 109 ) / 115, 'GC', F / ! ISON\n DATA CGRID_INDEX( 110 ), SPECIES_TYPE( 110 ), CONVERT_CONC( 110 ) / 117, 'GC', F / ! MCTP\n DATA CGRID_INDEX( 111 ), SPECIES_TYPE( 111 ), CONVERT_CONC( 111 ) / 118, 'GC', F / ! OLNN\n DATA CGRID_INDEX( 112 ), SPECIES_TYPE( 112 ), CONVERT_CONC( 112 ) / 119, 'GC', F / ! OLND\n DATA CGRID_INDEX( 113 ), SPECIES_TYPE( 113 ), CONVERT_CONC( 113 ) / 77, 'GC', F / ! APINP1\n DATA CGRID_INDEX( 114 ), SPECIES_TYPE( 114 ), CONVERT_CONC( 114 ) / 78, 'GC', F / ! APINP2\n DATA CGRID_INDEX( 115 ), SPECIES_TYPE( 115 ), CONVERT_CONC( 115 ) / 84, 'GC', F / ! LIMNP1\n DATA CGRID_INDEX( 116 ), SPECIES_TYPE( 116 ), CONVERT_CONC( 116 ) / 85, 'GC', F / ! LIMNP2\n DATA CGRID_INDEX( 117 ), SPECIES_TYPE( 117 ), CONVERT_CONC( 117 ) / 120, 'GC', F / ! ADCN\n DATA CGRID_INDEX( 118 ), SPECIES_TYPE( 118 ), CONVERT_CONC( 118 ) / 174, 'GC', F / ! VROCP4OXY2\n DATA CGRID_INDEX( 119 ), SPECIES_TYPE( 119 ), CONVERT_CONC( 119 ) / 167, 'GC', F / ! VROCN1OXY6\n DATA CGRID_INDEX( 120 ), SPECIES_TYPE( 120 ), CONVERT_CONC( 120 ) / 129, 'GC', F / ! FURANONE\n DATA CGRID_INDEX( 121 ), SPECIES_TYPE( 121 ), CONVERT_CONC( 121 ) / 173, 'GC', F / ! VROCP3OXY2\n DATA CGRID_INDEX( 122 ), SPECIES_TYPE( 122 ), CONVERT_CONC( 122 ) / 169, 'GC', F / ! VROCP0OXY4\n DATA CGRID_INDEX( 123 ), SPECIES_TYPE( 123 ), CONVERT_CONC( 123 ) / 121, 'GC', F / ! BAL1\n DATA CGRID_INDEX( 124 ), SPECIES_TYPE( 124 ), CONVERT_CONC( 124 ) / 122, 'GC', F / ! BAL2\n DATA CGRID_INDEX( 125 ), SPECIES_TYPE( 125 ), CONVERT_CONC( 125 ) / 89, 'GC', F / ! ELHOM\n DATA CGRID_INDEX( 126 ), SPECIES_TYPE( 126 ), CONVERT_CONC( 126 ) / 130, 'GC', F / ! VROCIOXY\n DATA CGRID_INDEX( 127 ), SPECIES_TYPE( 127 ), CONVERT_CONC( 127 ) / 131, 'GC', F / ! SLOWROC\n DATA CGRID_INDEX( 128 ), SPECIES_TYPE( 128 ), CONVERT_CONC( 128 ) / 123, 'GC', F / ! ACRO\n DATA CGRID_INDEX( 129 ), SPECIES_TYPE( 129 ), CONVERT_CONC( 129 ) / 124, 'GC', F / ! BDE13\n DATA CGRID_INDEX( 130 ), SPECIES_TYPE( 130 ), CONVERT_CONC( 130 ) / 125, 'GC', F / ! BDE13P\n DATA CGRID_INDEX( 131 ), SPECIES_TYPE( 131 ), CONVERT_CONC( 131 ) / 127, 'GC', F / ! FURAN\n DATA CGRID_INDEX( 132 ), SPECIES_TYPE( 132 ), CONVERT_CONC( 132 ) / 128, 'GC', F / ! FURANO2\n DATA CGRID_INDEX( 133 ), SPECIES_TYPE( 133 ), CONVERT_CONC( 133 ) / 126, 'GC', F / ! PROG\n DATA CGRID_INDEX( 134 ), SPECIES_TYPE( 134 ), CONVERT_CONC( 134 ) / 132, 'GC', F / ! SESQ\n DATA CGRID_INDEX( 135 ), SPECIES_TYPE( 135 ), CONVERT_CONC( 135 ) / 134, 'GC', F / ! SESQNRO2\n DATA CGRID_INDEX( 136 ), SPECIES_TYPE( 136 ), CONVERT_CONC( 136 ) / 162, 'GC', F / ! VROCN2OXY2\n DATA CGRID_INDEX( 137 ), SPECIES_TYPE( 137 ), CONVERT_CONC( 137 ) / 133, 'GC', F / ! SESQRO2\n DATA CGRID_INDEX( 138 ), SPECIES_TYPE( 138 ), CONVERT_CONC( 138 ) / 168, 'GC', F / ! VROCP0OXY2\n DATA CGRID_INDEX( 139 ), SPECIES_TYPE( 139 ), CONVERT_CONC( 139 ) / 171, 'GC', F / ! VROCP1OXY3\n DATA CGRID_INDEX( 140 ), SPECIES_TYPE( 140 ), CONVERT_CONC( 140 ) / 188, 'AE', T / ! AGLYJ\n DATA CGRID_INDEX( 141 ), SPECIES_TYPE( 141 ), CONVERT_CONC( 141 ) / 108, 'GC', F / ! IEPOXP\n DATA CGRID_INDEX( 142 ), SPECIES_TYPE( 142 ), CONVERT_CONC( 142 ) / 262, 'AE', T / ! AISO3NOSJ\n DATA CGRID_INDEX( 143 ), SPECIES_TYPE( 143 ), CONVERT_CONC( 143 ) / 179, 'AE', T / ! ASO4J\n DATA CGRID_INDEX( 144 ), SPECIES_TYPE( 144 ), CONVERT_CONC( 144 ) / 263, 'AE', T / ! AISO3OSJ\n DATA CGRID_INDEX( 145 ), SPECIES_TYPE( 145 ), CONVERT_CONC( 145 ) / 149, 'GC', F / ! VROCP6ALK\n DATA CGRID_INDEX( 146 ), SPECIES_TYPE( 146 ), CONVERT_CONC( 146 ) / 155, 'GC', F / ! VROCP6ALKP\n DATA CGRID_INDEX( 147 ), SPECIES_TYPE( 147 ), CONVERT_CONC( 147 ) / 148, 'GC', F / ! VROCP5ALK\n DATA CGRID_INDEX( 148 ), SPECIES_TYPE( 148 ), CONVERT_CONC( 148 ) / 154, 'GC', F / ! VROCP5ALKP\n DATA CGRID_INDEX( 149 ), SPECIES_TYPE( 149 ), CONVERT_CONC( 149 ) / 147, 'GC', F / ! VROCP4ALK\n DATA CGRID_INDEX( 150 ), SPECIES_TYPE( 150 ), CONVERT_CONC( 150 ) / 153, 'GC', F / ! VROCP4ALKP\n DATA CGRID_INDEX( 151 ), SPECIES_TYPE( 151 ), CONVERT_CONC( 151 ) / 146, 'GC', F / ! VROCP3ALK\n DATA CGRID_INDEX( 152 ), SPECIES_TYPE( 152 ), CONVERT_CONC( 152 ) / 152, 'GC', F / ! VROCP3ALKP\n DATA CGRID_INDEX( 153 ), SPECIES_TYPE( 153 ), CONVERT_CONC( 153 ) / 145, 'GC', F / ! VROCP2ALK\n DATA CGRID_INDEX( 154 ), SPECIES_TYPE( 154 ), CONVERT_CONC( 154 ) / 151, 'GC', F / ! VROCP2ALKP\n DATA CGRID_INDEX( 155 ), SPECIES_TYPE( 155 ), CONVERT_CONC( 155 ) / 144, 'GC', F / ! VROCP1ALK\n DATA CGRID_INDEX( 156 ), SPECIES_TYPE( 156 ), CONVERT_CONC( 156 ) / 150, 'GC', F / ! VROCP1ALKP\n DATA CGRID_INDEX( 157 ), SPECIES_TYPE( 157 ), CONVERT_CONC( 157 ) / 51, 'GC', F / ! HC10\n DATA CGRID_INDEX( 158 ), SPECIES_TYPE( 158 ), CONVERT_CONC( 158 ) / 161, 'GC', F / ! VROCP6ALKP2\n DATA CGRID_INDEX( 159 ), SPECIES_TYPE( 159 ), CONVERT_CONC( 159 ) / 160, 'GC', F / ! VROCP5ALKP2\n DATA CGRID_INDEX( 160 ), SPECIES_TYPE( 160 ), CONVERT_CONC( 160 ) / 159, 'GC', F / ! VROCP4ALKP2\n DATA CGRID_INDEX( 161 ), SPECIES_TYPE( 161 ), CONVERT_CONC( 161 ) / 172, 'GC', F / ! VROCP2OXY2\n DATA CGRID_INDEX( 162 ), SPECIES_TYPE( 162 ), CONVERT_CONC( 162 ) / 158, 'GC', F / ! VROCP3ALKP2\n DATA CGRID_INDEX( 163 ), SPECIES_TYPE( 163 ), CONVERT_CONC( 163 ) / 170, 'GC', F / ! VROCP1OXY1\n DATA CGRID_INDEX( 164 ), SPECIES_TYPE( 164 ), CONVERT_CONC( 164 ) / 157, 'GC', F / ! VROCP2ALKP2\n DATA CGRID_INDEX( 165 ), SPECIES_TYPE( 165 ), CONVERT_CONC( 165 ) / 156, 'GC', F / ! VROCP1ALKP2\n DATA CGRID_INDEX( 166 ), SPECIES_TYPE( 166 ), CONVERT_CONC( 166 ) / 165, 'GC', F / ! VROCN1OXY1\n DATA CGRID_INDEX( 167 ), SPECIES_TYPE( 167 ), CONVERT_CONC( 167 ) / 53, 'GC', F / ! HC10P2\n DATA CGRID_INDEX( 168 ), SPECIES_TYPE( 168 ), CONVERT_CONC( 168 ) / 138, 'GC', F / ! VROCP6ARO\n DATA CGRID_INDEX( 169 ), SPECIES_TYPE( 169 ), CONVERT_CONC( 169 ) / 140, 'GC', F / ! VROCP6AROP\n DATA CGRID_INDEX( 170 ), SPECIES_TYPE( 170 ), CONVERT_CONC( 170 ) / 163, 'GC', F / ! VROCN2OXY4\n DATA CGRID_INDEX( 171 ), SPECIES_TYPE( 171 ), CONVERT_CONC( 171 ) / 166, 'GC', F / ! VROCN1OXY3\n DATA CGRID_INDEX( 172 ), SPECIES_TYPE( 172 ), CONVERT_CONC( 172 ) / 137, 'GC', F / ! VROCP5ARO\n DATA CGRID_INDEX( 173 ), SPECIES_TYPE( 173 ), CONVERT_CONC( 173 ) / 139, 'GC', F / ! VROCP5AROP\n DATA CGRID_INDEX( 174 ), SPECIES_TYPE( 174 ), CONVERT_CONC( 174 ) / 135, 'GC', F / ! NAPH\n DATA CGRID_INDEX( 175 ), SPECIES_TYPE( 175 ), CONVERT_CONC( 175 ) / 136, 'GC', F / ! NAPHP\n DATA CGRID_INDEX( 176 ), SPECIES_TYPE( 176 ), CONVERT_CONC( 176 ) / 164, 'GC', F / ! VROCN2OXY8\n DATA CGRID_INDEX( 177 ), SPECIES_TYPE( 177 ), CONVERT_CONC( 177 ) / 175, 'GC', F / ! VROCP5OXY1\n DATA CGRID_INDEX( 178 ), SPECIES_TYPE( 178 ), CONVERT_CONC( 178 ) / 176, 'GC', F / ! VROCP6OXY1\n\n! The below integers define the locations of mechanism species in the solver\n! concentration array.\n\n INTEGER :: INDEX_O3 = 1\n INTEGER :: INDEX_O3P = 2\n INTEGER :: INDEX_O1D = 3\n INTEGER :: INDEX_H2O2 = 4\n INTEGER :: INDEX_HO = 5\n INTEGER :: INDEX_NO2 = 6\n INTEGER :: INDEX_NO = 7\n INTEGER :: INDEX_NO3 = 8\n INTEGER :: INDEX_HONO = 9\n INTEGER :: INDEX_HNO3 = 10\n INTEGER :: INDEX_HNO4 = 11\n INTEGER :: INDEX_HO2 = 12\n INTEGER :: INDEX_HCHO = 13\n INTEGER :: INDEX_CO = 14\n INTEGER :: INDEX_ACD = 15\n INTEGER :: INDEX_MO2 = 16\n INTEGER :: INDEX_ALD = 17\n INTEGER :: INDEX_ETHP = 18\n INTEGER :: INDEX_ACT = 19\n INTEGER :: INDEX_ACO3 = 20\n INTEGER :: INDEX_UALD = 21\n INTEGER :: INDEX_KET = 22\n INTEGER :: INDEX_PINAL = 23\n INTEGER :: INDEX_HC10P = 24\n INTEGER :: INDEX_LIMAL = 25\n INTEGER :: INDEX_MEK = 26\n INTEGER :: INDEX_HKET = 27\n INTEGER :: INDEX_MACR = 28\n INTEGER :: INDEX_MACP = 29\n INTEGER :: INDEX_XO2 = 30\n INTEGER :: INDEX_MVK = 31\n INTEGER :: INDEX_GLY = 32\n INTEGER :: INDEX_MGLY = 33\n INTEGER :: INDEX_DCB1 = 34\n INTEGER :: INDEX_DCB2 = 35\n INTEGER :: INDEX_BALD = 36\n INTEGER :: INDEX_CHO = 37\n INTEGER :: INDEX_OP1 = 38\n INTEGER :: INDEX_OP2 = 39\n INTEGER :: INDEX_OPB = 40\n INTEGER :: INDEX_OP3 = 41\n INTEGER :: INDEX_PAA = 42\n INTEGER :: INDEX_ONIT = 43\n INTEGER :: INDEX_PAN = 44\n INTEGER :: INDEX_N2O5 = 45\n INTEGER :: INDEX_SO2 = 46\n INTEGER :: INDEX_SULF = 47\n INTEGER :: INDEX_SULRXN = 48\n INTEGER :: INDEX_ETH = 49\n INTEGER :: INDEX_HC3 = 50\n INTEGER :: INDEX_HC3P = 51\n INTEGER :: INDEX_ASOATJ = 52\n INTEGER :: INDEX_HC5 = 53\n INTEGER :: INDEX_HC5P = 54\n INTEGER :: INDEX_ETE = 55\n INTEGER :: INDEX_ETEP = 56\n INTEGER :: INDEX_OLT = 57\n INTEGER :: INDEX_OLTP = 58\n INTEGER :: INDEX_OLI = 59\n INTEGER :: INDEX_OLIP = 60\n INTEGER :: INDEX_ACE = 61\n INTEGER :: INDEX_ORA1 = 62\n INTEGER :: INDEX_BEN = 63\n INTEGER :: INDEX_BENP = 64\n INTEGER :: INDEX_PHEN = 65\n INTEGER :: INDEX_TOL = 66\n INTEGER :: INDEX_TOLP = 67\n INTEGER :: INDEX_CSL = 68\n INTEGER :: INDEX_XYM = 69\n INTEGER :: INDEX_XYMP = 70\n INTEGER :: INDEX_XYE = 71\n INTEGER :: INDEX_XYEP = 72\n INTEGER :: INDEX_ISO = 73\n INTEGER :: INDEX_ISOP = 74\n INTEGER :: INDEX_API = 75\n INTEGER :: INDEX_APIP1 = 76\n INTEGER :: INDEX_APIP2 = 77\n INTEGER :: INDEX_LIM = 78\n INTEGER :: INDEX_LIMP1 = 79\n INTEGER :: INDEX_LIMP2 = 80\n INTEGER :: INDEX_PINALP = 81\n INTEGER :: INDEX_RCO3 = 82\n INTEGER :: INDEX_LIMALP = 83\n INTEGER :: INDEX_ACTP = 84\n INTEGER :: INDEX_MEKP = 85\n INTEGER :: INDEX_KETP = 86\n INTEGER :: INDEX_MCP = 87\n INTEGER :: INDEX_MVKP = 88\n INTEGER :: INDEX_UALP = 89\n INTEGER :: INDEX_DCB3 = 90\n INTEGER :: INDEX_BALP = 91\n INTEGER :: INDEX_ADDC = 92\n INTEGER :: INDEX_MCT = 93\n INTEGER :: INDEX_MCTO = 94\n INTEGER :: INDEX_MOH = 95\n INTEGER :: INDEX_EOH = 96\n INTEGER :: INDEX_ROH = 97\n INTEGER :: INDEX_ETEG = 98\n INTEGER :: INDEX_ISHP = 99\n INTEGER :: INDEX_IEPOX = 100\n INTEGER :: INDEX_MAHP = 101\n INTEGER :: INDEX_ORA2 = 102\n INTEGER :: INDEX_ORAP = 103\n INTEGER :: INDEX_PPN = 104\n INTEGER :: INDEX_MPAN = 105\n INTEGER :: INDEX_TRPN = 106\n INTEGER :: INDEX_HOM = 107\n INTEGER :: INDEX_NALD = 108\n INTEGER :: INDEX_ISON = 109\n INTEGER :: INDEX_MCTP = 110\n INTEGER :: INDEX_OLNN = 111\n INTEGER :: INDEX_OLND = 112\n INTEGER :: INDEX_APINP1 = 113\n INTEGER :: INDEX_APINP2 = 114\n INTEGER :: INDEX_LIMNP1 = 115\n INTEGER :: INDEX_LIMNP2 = 116\n INTEGER :: INDEX_ADCN = 117\n INTEGER :: INDEX_VROCP4OXY2 = 118\n INTEGER :: INDEX_VROCN1OXY6 = 119\n INTEGER :: INDEX_FURANONE = 120\n INTEGER :: INDEX_VROCP3OXY2 = 121\n INTEGER :: INDEX_VROCP0OXY4 = 122\n INTEGER :: INDEX_BAL1 = 123\n INTEGER :: INDEX_BAL2 = 124\n INTEGER :: INDEX_ELHOM = 125\n INTEGER :: INDEX_VROCIOXY = 126\n INTEGER :: INDEX_SLOWROC = 127\n INTEGER :: INDEX_ACRO = 128\n INTEGER :: INDEX_BDE13 = 129\n INTEGER :: INDEX_BDE13P = 130\n INTEGER :: INDEX_FURAN = 131\n INTEGER :: INDEX_FURANO2 = 132\n INTEGER :: INDEX_PROG = 133\n INTEGER :: INDEX_SESQ = 134\n INTEGER :: INDEX_SESQNRO2 = 135\n INTEGER :: INDEX_VROCN2OXY2 = 136\n INTEGER :: INDEX_SESQRO2 = 137\n INTEGER :: INDEX_VROCP0OXY2 = 138\n INTEGER :: INDEX_VROCP1OXY3 = 139\n INTEGER :: INDEX_AGLYJ = 140\n INTEGER :: INDEX_IEPOXP = 141\n INTEGER :: INDEX_AISO3NOSJ = 142\n INTEGER :: INDEX_ASO4J = 143\n INTEGER :: INDEX_AISO3OSJ = 144\n INTEGER :: INDEX_VROCP6ALK = 145\n INTEGER :: INDEX_VROCP6ALKP = 146\n INTEGER :: INDEX_VROCP5ALK = 147\n INTEGER :: INDEX_VROCP5ALKP = 148\n INTEGER :: INDEX_VROCP4ALK = 149\n INTEGER :: INDEX_VROCP4ALKP = 150\n INTEGER :: INDEX_VROCP3ALK = 151\n INTEGER :: INDEX_VROCP3ALKP = 152\n INTEGER :: INDEX_VROCP2ALK = 153\n INTEGER :: INDEX_VROCP2ALKP = 154\n INTEGER :: INDEX_VROCP1ALK = 155\n INTEGER :: INDEX_VROCP1ALKP = 156\n INTEGER :: INDEX_HC10 = 157\n INTEGER :: INDEX_VROCP6ALKP2 = 158\n INTEGER :: INDEX_VROCP5ALKP2 = 159\n INTEGER :: INDEX_VROCP4ALKP2 = 160\n INTEGER :: INDEX_VROCP2OXY2 = 161\n INTEGER :: INDEX_VROCP3ALKP2 = 162\n INTEGER :: INDEX_VROCP1OXY1 = 163\n INTEGER :: INDEX_VROCP2ALKP2 = 164\n INTEGER :: INDEX_VROCP1ALKP2 = 165\n INTEGER :: INDEX_VROCN1OXY1 = 166\n INTEGER :: INDEX_HC10P2 = 167\n INTEGER :: INDEX_VROCP6ARO = 168\n INTEGER :: INDEX_VROCP6AROP = 169\n INTEGER :: INDEX_VROCN2OXY4 = 170\n INTEGER :: INDEX_VROCN1OXY3 = 171\n INTEGER :: INDEX_VROCP5ARO = 172\n INTEGER :: INDEX_VROCP5AROP = 173\n INTEGER :: INDEX_NAPH = 174\n INTEGER :: INDEX_NAPHP = 175\n INTEGER :: INDEX_VROCN2OXY8 = 176\n INTEGER :: INDEX_VROCP5OXY1 = 177\n INTEGER :: INDEX_VROCP6OXY1 = 178\n\n INTEGER, PARAMETER :: N_ACT_SP = 178\n\n INTEGER, PARAMETER :: NRXNS = 508\n\n INTEGER, PARAMETER :: ONE_REACT_REACTIONS = 0\n\n INTEGER, PARAMETER :: TWO_REACT_REACTIONS = 0\n\n INTEGER, PARAMETER :: THREE_REACT_REACTIONS = 0\n\n INTEGER, PARAMETER :: ZERO_REACT_REACTIONS = 0\n\n LOGICAL, PARAMETER :: UNITARY_REACTIONS = .FALSE.\n\n INTEGER, PARAMETER :: ONE_REACT_START = 0\n\n INTEGER, PARAMETER :: ONE_REACT_STOP = -1\n\n LOGICAL, PARAMETER :: BINARY_REACTIONS = .FALSE.\n\n INTEGER, PARAMETER :: TWO_REACT_START = 0\n\n INTEGER, PARAMETER :: TWO_REACT_STOP = -1\n\n LOGICAL, PARAMETER :: TERNARY_REACTIONS = .FALSE.\n\n INTEGER, PARAMETER :: THREE_REACT_START = 0\n\n INTEGER, PARAMETER :: THREE_REACT_STOP = -1\n\n LOGICAL, PARAMETER :: NULL_REACTIONS = .FALSE.\n\n INTEGER, PARAMETER :: ZERO_REACT_START = 0\n\n INTEGER, PARAMETER :: ZERO_REACT_STOP = -1\n\n INTEGER, PARAMETER :: NSUNLIGHT_RXNS = 40\n\n INTEGER, PARAMETER :: NTHERMAL_RXNS = 468\n\n INTEGER, PARAMETER :: KUNITS = 2\n\n INTEGER :: IRXXN\n\n INTEGER, PARAMETER :: NMPHOT = 39\n INTEGER :: IPH( NMPHOT,3 )\n\n DATA ( IPH( IRXXN,1 ), IRXXN = 1, NMPHOT ) / & \n & 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, & \n & 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, & \n & 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, & \n & 31, 32, 33, 34, 35, 36, 37, 38, 386/\n\n DATA ( IPH( IRXXN,2 ), IRXXN = 1, NMPHOT ) / & \n & 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, & \n & 11, 12, 13, 14, 15, 16, 13, 13, 17, 18, & \n & 19, 20, 21, 22, 23, 24, 25, 25, 25, 26, & \n & 27, 27, 27, 27, 28, 29, 30, 31, 32/\n\n DATA ( IPH( IRXXN,3 ), IRXXN = 1, NMPHOT ) / & \n & 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, & \n & 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, & \n & 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, & \n & 31, 32, 33, 34, 35, 36, 37, 38, 39/\n\n REAL( 8 ) :: RTDAT( 3,NRXNS )\n\n INTEGER, PARAMETER :: NFALLOFF = 17\n REAL( 8 ) :: RFDAT( 5,NFALLOFF )\n\n INTEGER :: KTYPE( NRXNS )\n\n DATA ( KTYPE( IRXXN ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 3, 3, & ! 3 \n & 3, 3, 2, 3, 3, 3, 3, 3, 3, 9, & ! 4 \n & 9, 3, 10, 10, 3, 9, 3, 3, 3, 10, & ! 5 \n & 10, 8, 1, 1, 3, 3, 3, 10, 5, 1, & ! 6 \n & 10, 5, 3, 10, 9, 3, 3, 3, 3, 10, & ! 7 \n & 3, 3, 10, 3, 3, 1, 1, 3, 3, 3, & ! 8 \n & 3, 1, 3, 3, 3, 4, 3, 3, 1, 3, & ! 9 \n & 3, 3, 1, 3, 3, 3, 1, 3, 3, 3, & ! O \n & 3, 3, 3, 3, 1, 3, 3, 3, 3, 1, & ! 1 \n & 1, 1, 3, 3, 1, 1, 1, 3, 1, 3, & ! 2 \n & 1, 3, 3, 3, 3, 3, 3, 1, 1, 3, & ! 3 \n & 3, 1, 1, 1, 1, 1, 4, 3, 3, 3, & ! 4 \n & 3, 1, 3, 3, 3, 3, 1, 3, 3, 3, & ! 5 \n & 1, 1, 1, 3, 1, 1, 10, 5, 10, 5, & ! 6 \n & 3, 3, 3, 3, 1, 1, 1, 1, 1, 3, & ! 7 \n & 3, 3, 3, 3, 1, 1, 1, 1, 1, 1, & ! 8 \n & 1, 1, 3, 3, 3, 3, 3, 1, 1, 3, & ! 9 \n & 3, 3, 3, 1, 1, 3, 3, 1, 1, 1, & ! O \n & 3, 1, 1, 1, 1, 3, 3, 3, 3, 3, & ! 1 \n & 3, 3, 3, 3, 3, 3, 3, 1, 1, 1, & ! 2 \n & 1, 1, 1, 1, 1, 3, 3, 3, 3, 3, & ! 3 \n & 3, 3, 3, 3, 3, 3, 3, 1, 3, 3, & ! 4 \n & 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, & ! 5 \n & 3, 3, 3, 3, 3, 3, 3, 1, 3, 1, & ! 6 \n & 3, 1, 3, 1, 3, 3, 3, 3, 3, 3, & ! 7 \n & 3, 1, 3, 3, 3, 3, 3, 3, 3, 3, & ! 8 \n & 1, 3, 3, 3, 3, 3, 3, 3, 3, 3, & ! 9 \n & 3, 3, 3, 3, 1, 3, 1, 3, 1, 3, & ! O \n & 1, 3, 3, 3, 3, 3, 3, 3, 3, 3, & ! 1 \n & 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, & ! 2 \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! 3 \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! 4 \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! 5 \n & 1, 3, 3, 3, 1, 3, 3, 1, 1, 1, & ! 6 \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 3, & ! 7 \n & 1, 1, 3, 1, 1, 0, 3, 1, 1, 1, & ! 8 \n & 1, 1, 3, 1, 1, 3, 3, 1, 1, 1, & ! 9 \n & 1, 1, 3, 3, 1, 1, 1, 3, 1, 3, & ! O \n & -1, -1, -1, -1, 12, -1, -1, -1, 1, 1, & ! 1 \n & 1, 1, 1, 1, 1, 3, 3, 3, 3, 3, & ! 2 \n & 3, 3, 1, 1, 1, 1, 1, 1, 1, 1, & ! 3 \n & 1, 1, 1, 1, 1, 3, 1, 1, 1, 1, & ! 4 \n & 1, 1, 1, 3, 3, 3, 3, 3, 3, 3, & ! 5 \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! 6 \n & 1, 1, 1, 3, 1, 3, 3, 1, 3, 3, & ! 7 \n & 1, 3, 3, 1, 3, 3, 1, 3, 3, 1, & ! 8 \n & 3, 3, 1, 1, 1, 1, 1, 1, 1, 1, & ! 9 \n & 1, 1, 1, 1, 1, 1, 1, 1/ ! O \n\n INTEGER :: IRXBITS( NRXNS )\n\n DATA ( IRXBITS( IRXXN ), IRXXN = 1, NRXNS ) / & \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 1 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 2 \n & 2, 2, 2, 2, 2, 2, 2, 2, 0, 0, & ! 3 \n & 0, 0, 20, 0, 16, 32, 8, 128, 0, 0, & ! 4 \n & 8, 0, 1, 1, 0, 0, 16, 0, 0, 1, & ! 5 \n & 1, 0, 0, 0, 0, 0, 0, 1, 0, 8, & ! 6 \n & 1, 0, 0, 1, 0, 64, 0, 0, 0, 1, & ! 7 \n & 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 1, 1, 1, 1, 2, 1, 1, 1, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0/ ! O \n\n INTEGER, PARAMETER :: NTERMS_JACOB = 31684\n\n INTEGER, PARAMETER :: NSTEPS_JACOB = 1016\n\n INTEGER :: IORDER( NRXNS )\n\n DATA ( IORDER( IRXXN ), IRXXN = 1, NRXNS ) / & \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! O \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! 1 \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! 2 \n & 1, 1, 1, 1, 1, 1, 1, 1, 2, 2, & ! 3 \n & 2, 2, 3, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 3, 2, 2, 2, 2, 2, 3, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 2, 2, 2, 2, 1, 2, & ! 6 \n & 2, 1, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 9 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 1 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 2 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 1, 1, 2, 1, 2, 1, & ! 6 \n & 2, 1, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 9 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 1 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 2 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 9 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 1 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 2 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 1, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 9 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 1, 1, 1, 1, 1, 1, 1, 2, 2, 2, & ! 1 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 2 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 1, 1, 1, 1, & ! 4 \n & 1, 1, 1, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 9 \n & 2, 2, 2, 2, 2, 2, 2, 2/ ! O \n\n INTEGER, PARAMETER :: KTN1 = 201\n INTEGER :: KRX1( KTN1 )\n\n DATA ( KRX1( IRXXN ), IRXXN = 1, KTN1 ) / & \n & 63, 64, 70, 86, 87, 92, 99, 103, 107, 115, & ! O \n & 120, 121, 122, 125, 126, 127, 129, 131, 138, 139, & ! 1 \n & 142, 143, 144, 145, 146, 152, 157, 161, 162, 163, & ! 2 \n & 165, 166, 175, 176, 177, 178, 179, 185, 186, 187, & ! 3 \n & 188, 189, 190, 191, 192, 198, 199, 204, 205, 208, & ! 4 \n & 209, 210, 212, 213, 214, 215, 228, 229, 230, 231, & ! 5 \n & 232, 233, 234, 235, 248, 268, 270, 272, 274, 282, & ! 6 \n & 291, 305, 307, 309, 311, 331, 332, 333, 334, 335, & ! 7 \n & 336, 337, 338, 339, 340, 341, 342, 343, 344, 345, & ! 8 \n & 346, 347, 348, 349, 350, 351, 352, 353, 354, 355, & ! 9 \n & 356, 357, 358, 359, 360, 361, 365, 368, 369, 370, & ! O \n & 371, 372, 373, 374, 375, 376, 377, 378, 379, 381, & ! 1 \n & 382, 384, 385, 388, 389, 390, 391, 392, 394, 395, & ! 2 \n & 398, 399, 400, 401, 402, 405, 406, 407, 409, 419, & ! 3 \n & 420, 421, 422, 423, 424, 425, 433, 434, 435, 436, & ! 4 \n & 437, 438, 439, 440, 441, 442, 443, 444, 445, 447, & ! 5 \n & 448, 449, 450, 451, 452, 453, 461, 462, 463, 464, & ! 6 \n & 465, 466, 467, 468, 469, 470, 471, 472, 473, 475, & ! 7 \n & 478, 481, 484, 487, 490, 493, 494, 495, 496, 497, & ! 8 \n & 498, 499, 500, 501, 502, 503, 504, 505, 506, 507, & ! 9 \n & 508/ ! O \n\n INTEGER, PARAMETER :: KTN2 = 1\n INTEGER :: KRX2( KTN2 )\n\n DATA ( KRX2( IRXXN ), IRXXN = 1, KTN2 ) / & \n & 43/\n\n INTEGER, PARAMETER :: KTN3 = 237\n INTEGER :: KRX3( KTN3 )\n\n DATA ( KRX3( IRXXN ), IRXXN = 1, KTN3 ) / & \n & 39, 40, 41, 42, 44, 45, 46, 47, 48, 49, & ! O \n & 52, 55, 57, 58, 59, 65, 66, 67, 73, 76, & ! 1 \n & 77, 78, 79, 81, 82, 84, 85, 88, 89, 90, & ! 2 \n & 91, 93, 94, 95, 97, 98, 100, 101, 102, 104, & ! 3 \n & 105, 106, 108, 109, 110, 111, 112, 113, 114, 116, & ! 4 \n & 117, 118, 119, 123, 124, 128, 130, 132, 133, 134, & ! 5 \n & 135, 136, 137, 140, 141, 148, 149, 150, 151, 153, & ! 6 \n & 154, 155, 156, 158, 159, 160, 164, 171, 172, 173, & ! 7 \n & 174, 180, 181, 182, 183, 184, 193, 194, 195, 196, & ! 8 \n & 197, 200, 201, 202, 203, 206, 207, 211, 216, 217, & ! 9 \n & 218, 219, 220, 221, 222, 223, 224, 225, 226, 227, & ! O \n & 236, 237, 238, 239, 240, 241, 242, 243, 244, 245, & ! 1 \n & 246, 247, 249, 250, 251, 252, 253, 254, 255, 256, & ! 2 \n & 257, 258, 259, 260, 261, 262, 263, 264, 265, 266, & ! 3 \n & 267, 269, 271, 273, 275, 276, 277, 278, 279, 280, & ! 4 \n & 281, 283, 284, 285, 286, 287, 288, 289, 290, 292, & ! 5 \n & 293, 294, 295, 296, 297, 298, 299, 300, 301, 302, & ! 6 \n & 303, 304, 306, 308, 310, 312, 313, 314, 315, 316, & ! 7 \n & 317, 318, 319, 320, 321, 322, 323, 324, 325, 326, & ! 8 \n & 327, 328, 329, 330, 362, 363, 364, 366, 367, 380, & ! 9 \n & 383, 387, 393, 396, 397, 403, 404, 408, 410, 426, & ! O \n & 427, 428, 429, 430, 431, 432, 446, 454, 455, 456, & ! 1 \n & 457, 458, 459, 460, 474, 476, 477, 479, 480, 482, & ! 2 \n & 483, 485, 486, 488, 489, 491, 492/ ! 3 \n\n INTEGER, PARAMETER :: KTN4 = 2\n INTEGER :: KRX4( KTN4 )\n\n DATA ( KRX4( IRXXN ), IRXXN = 1, KTN4 ) / & \n & 96, 147/\n\n INTEGER, PARAMETER :: KTN5 = 4\n INTEGER :: KRX5( KTN5 )\n\n DATA ( KRX5( IRXXN ), IRXXN = 1, KTN5 ) / & \n & 69, 72, 168, 170/\n\n INTEGER, PARAMETER :: KTN6 = 0\n INTEGER :: KRX6( 1 )\n\n DATA KRX6( 1 ) / 0 /\n\n INTEGER, PARAMETER :: KTN7 = 0\n INTEGER :: KRX7( 1 )\n\n DATA KRX7( 1 ) / 0 /\n\n INTEGER, PARAMETER :: NWM = 1\n INTEGER :: NRXWM( NWM )\n\n DATA ( NRXWM( IRXXN ), IRXXN = 1, NWM ) / & \n & 43/\n REAL( 8 ), PARAMETER :: ATM_AIR = 1.00000D+06\n\n INTEGER, PARAMETER :: NWW = 3\n INTEGER :: NRXWW( NWW )\n\n DATA ( NRXWW( IRXXN ), IRXXN = 1, NWW ) / & \n & 47, 51, 70/\n\n INTEGER, PARAMETER :: NWO2 = 3\n INTEGER :: NRXWO2( NWO2 )\n\n DATA ( NRXWO2( IRXXN ), IRXXN = 1, NWO2 ) / & \n & 43, 45, 57/\n REAL( 8 ), PARAMETER :: ATM_O2 = 2.09500D+05\n\n INTEGER, PARAMETER :: NWN2 = 1\n INTEGER :: NRXWN2( NWN2 )\n\n DATA ( NRXWN2( IRXXN ), IRXXN = 1, NWN2 ) / & \n & 46/\n REAL( 8 ), PARAMETER :: ATM_N2 = 7.80800D+05\n\n INTEGER, PARAMETER :: NWCH4 = 1\n INTEGER :: NRXWCH4( NWCH4 )\n\n DATA ( NRXWCH4( IRXXN ), IRXXN = 1, NWCH4 ) / & \n & 76/\n REAL( 8 ), PARAMETER :: ATM_CH4 = 1.85000D+00\n\n INTEGER, PARAMETER :: NWH2 = 1\n INTEGER :: NRXWH2( NWH2 )\n\n DATA ( NRXWH2( IRXXN ), IRXXN = 1, NWH2 ) / & \n & 48/\n REAL( 8 ), PARAMETER :: ATM_H2 = 5.60000D-01\n\n INTEGER, PARAMETER :: MXPRD = 28\n INTEGER :: IRR( NRXNS,MXPRD+3 )\n\n DATA ( IRR( IRXXN, 1 ), IRXXN = 1, NRXNS ) / & \n & 1, 1, 4, 6, 8, 8, 9, 10, 11, 13, & ! O \n & 13, 15, 17, 19, 19, 21, 23, 25, 26, 22, & ! 1 \n & 27, 28, 31, 32, 32, 32, 33, 34, 35, 36, & ! 2 \n & 38, 39, 40, 41, 42, 43, 44, 44, 1, 1, & ! 3 \n & 1, 1, 2, 2, 3, 3, 3, 5, 5, 12, & ! 4 \n & 12, 4, 7, 7, 7, 7, 7, 9, 6, 6, & ! 5 \n & 6, 10, 8, 8, 8, 8, 8, 8, 45, 45, & ! 6 \n & 6, 11, 11, 46, 14, 5, 49, 50, 53, 55, & ! 7 \n & 57, 59, 61, 63, 66, 69, 71, 73, 75, 78, & ! 8 \n & 23, 25, 13, 15, 17, 19, 26, 22, 27, 28, & ! 9 \n & 31, 21, 32, 33, 34, 35, 90, 36, 65, 68, & ! O \n & 93, 95, 96, 97, 98, 38, 39, 40, 41, 99, & ! 1 \n & 101, 62, 102, 42, 44, 104, 105, 43, 106, 108, & ! 2 \n & 109, 55, 57, 59, 73, 75, 78, 25, 106, 28, & ! 3 \n & 31, 21, 34, 35, 90, 94, 55, 57, 59, 73, & ! 4 \n & 75, 78, 106, 13, 15, 17, 28, 21, 32, 33, & ! 5 \n & 65, 68, 93, 105, 81, 83, 20, 44, 82, 104, & ! 6 \n & 29, 105, 16, 18, 51, 54, 56, 58, 60, 64, & ! 7 \n & 67, 70, 72, 74, 76, 77, 113, 114, 79, 80, & ! 8 \n & 115, 116, 81, 83, 20, 82, 84, 85, 86, 29, & ! 9 \n & 87, 88, 89, 91, 123, 92, 110, 103, 111, 112, & ! O \n & 117, 30, 124, 37, 94, 16, 18, 51, 54, 56, & ! 1 \n & 58, 60, 64, 67, 70, 72, 74, 76, 77, 113, & ! 2 \n & 114, 79, 80, 115, 116, 81, 83, 20, 82, 84, & ! 3 \n & 85, 86, 29, 87, 88, 89, 92, 37, 110, 103, & ! 4 \n & 111, 112, 117, 30, 16, 18, 51, 54, 56, 58, & ! 5 \n & 60, 64, 67, 70, 72, 74, 76, 77, 113, 114, & ! 6 \n & 79, 80, 115, 116, 20, 82, 84, 85, 86, 29, & ! 7 \n & 87, 88, 89, 91, 123, 92, 110, 103, 111, 112, & ! 8 \n & 117, 30, 18, 51, 54, 56, 58, 60, 64, 67, & ! 9 \n & 70, 72, 74, 76, 77, 113, 114, 79, 80, 115, & ! O \n & 116, 20, 82, 84, 85, 86, 29, 87, 88, 89, & ! 1 \n & 91, 123, 92, 110, 103, 111, 112, 117, 30, 82, & ! 2 \n & 16, 18, 51, 54, 56, 58, 60, 64, 67, 70, & ! 3 \n & 72, 74, 76, 79, 20, 82, 84, 85, 86, 29, & ! 4 \n & 87, 88, 89, 91, 123, 92, 110, 103, 111, 112, & ! 5 \n & 117, 111, 111, 112, 30, 30, 30, 77, 77, 77, & ! 6 \n & 80, 80, 80, 114, 114, 114, 116, 116, 116, 100, & ! 7 \n & 126, 127, 128, 128, 128, 128, 129, 130, 130, 130, & ! 8 \n & 130, 130, 129, 129, 131, 132, 132, 120, 131, 131, & ! 9 \n & 133, 134, 135, 135, 135, 134, 134, 137, 137, 137, & ! O \n & 32, 33, 45, 6, 1, 100, 141, 141, 145, 147, & ! 1 \n & 149, 151, 153, 155, 157, 146, 148, 150, 152, 154, & ! 2 \n & 156, 24, 146, 148, 150, 152, 154, 156, 24, 146, & ! 3 \n & 148, 150, 152, 154, 156, 24, 158, 159, 160, 162, & ! 4 \n & 164, 165, 167, 158, 159, 160, 162, 164, 165, 167, & ! 5 \n & 158, 159, 160, 162, 164, 165, 167, 158, 159, 160, & ! 6 \n & 162, 164, 165, 167, 168, 169, 169, 169, 169, 169, & ! 7 \n & 172, 173, 173, 173, 173, 173, 174, 175, 175, 175, & ! 8 \n & 175, 175, 176, 170, 136, 119, 171, 166, 122, 138, & ! 9 \n & 139, 163, 161, 121, 118, 177, 178, 41/ ! O \n\n DATA ( IRR( IRXXN, 2 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 5, 12, & ! 3 \n & 7, 6, 0, 1, 0, 0, 0, 0, 12, 12, & ! 4 \n & 12, 5, 2, 5, 12, 12, 7, 5, 2, 2, & ! 5 \n & 5, 5, 5, 12, 7, 6, 8, 6, 0, 0, & ! 6 \n & 12, 0, 5, 5, 5, 0, 5, 5, 5, 5, & ! 7 \n & 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, & ! 8 \n & 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, & ! 9 \n & 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, & ! O \n & 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, & ! 1 \n & 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, & ! 2 \n & 5, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! 3 \n & 1, 1, 1, 1, 1, 1, 8, 8, 8, 8, & ! 4 \n & 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, & ! 5 \n & 8, 8, 8, 8, 0, 0, 6, 0, 6, 0, & ! 6 \n & 6, 0, 7, 7, 7, 7, 7, 7, 7, 7, & ! 7 \n & 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, & ! 8 \n & 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, & ! 9 \n & 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, & ! O \n & 7, 7, 6, 6, 6, 12, 12, 12, 12, 12, & ! 1 \n & 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, & ! 2 \n & 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, & ! 3 \n & 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, & ! 4 \n & 12, 12, 12, 12, 16, 16, 16, 16, 16, 16, & ! 5 \n & 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, & ! 6 \n & 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, & ! 7 \n & 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, & ! 8 \n & 16, 16, 20, 20, 20, 20, 20, 20, 20, 20, & ! 9 \n & 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, & ! O \n & 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, & ! 1 \n & 20, 20, 20, 20, 20, 20, 20, 20, 20, 82, & ! 2 \n & 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, & ! 3 \n & 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, & ! 4 \n & 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, & ! 5 \n & 8, 111, 112, 112, 8, 82, 30, 76, 79, 74, & ! 6 \n & 76, 79, 74, 76, 79, 74, 76, 79, 74, 5, & ! 7 \n & 5, 5, 5, 1, 8, 0, 5, 7, 8, 12, & ! 8 \n & 16, 20, 1, 8, 5, 7, 12, 5, 1, 8, & ! 9 \n & 5, 8, 12, 7, 8, 1, 5, 12, 8, 7, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 143, 5, 5, & ! 1 \n & 5, 5, 5, 5, 5, 7, 7, 7, 7, 7, & ! 2 \n & 7, 7, 8, 8, 8, 8, 8, 8, 8, 12, & ! 3 \n & 12, 12, 12, 12, 12, 12, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 7, 7, 7, 7, 7, 7, 7, & ! 5 \n & 8, 8, 8, 8, 8, 8, 8, 12, 12, 12, & ! 6 \n & 12, 12, 12, 12, 5, 12, 7, 8, 16, 20, & ! 7 \n & 5, 12, 7, 8, 16, 20, 5, 12, 7, 8, & ! 8 \n & 16, 20, 5, 5, 5, 5, 5, 5, 5, 5, & ! 9 \n & 5, 5, 5, 5, 5, 5, 5, 5/ ! O \n\n DATA ( IRR( IRXXN, 3 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0/ ! O \n\n DATA ( IRR( IRXXN, 4 ), IRXXN = 1, NRXNS ) / & \n & 2, 3, 5, 2, 7, 2, 5, 5, 5, 14, & ! O \n & 12, 12, 12, 16, 16, 12, 12, 12, 16, 18, & ! 1 \n & 12, 5, 16, 14, 13, 12, 12, 12, 12, 37, & ! 2 \n & 5, 5, 5, 5, 5, 12, 20, 16, 12, 5, & ! 3 \n & 6, 8, 1, 0, 2, 2, 5, 12, 0, 4, & ! 4 \n & 4, 12, 6, 9, 6, 10, 6, 6, 7, 8, & ! 5 \n & 10, 8, 12, 5, 6, 7, 6, 45, 6, 10, & ! 6 \n & 11, 12, 6, 12, 12, 16, 18, 51, 54, 56, & ! 7 \n & 58, 60, 5, 64, 67, 70, 72, 74, 76, 79, & ! 8 \n & 81, 83, 12, 20, 82, 84, 85, 86, 12, 29, & ! 9 \n & 88, 20, 12, 20, 12, 12, 12, 91, 52, 52, & ! O \n & 94, 12, 12, 12, 12, 5, 5, 5, 5, 5, & ! 1 \n & 29, 12, 16, 5, 30, 30, 6, 51, 107, 6, & ! 2 \n & 108, 5, 5, 5, 5, 5, 5, 5, 107, 5, & ! 3 \n & 5, 5, 5, 5, 5, 110, 111, 111, 111, 109, & ! 4 \n & 113, 115, 107, 12, 20, 82, 13, 12, 12, 20, & ! 5 \n & 52, 52, 94, 29, 107, 107, 44, 20, 104, 82, & ! 6 \n & 105, 29, 12, 12, 12, 12, 12, 12, 12, 43, & ! 7 \n & 43, 43, 43, 12, 12, 5, 6, 6, 12, 5, & ! 8 \n & 6, 6, 12, 12, 16, 18, 20, 12, 12, 16, & ! 9 \n & 6, 12, 12, 123, 124, 12, 94, 6, 6, 6, & ! O \n & 6, 6, 43, 43, 43, 38, 39, 39, 39, 39, & ! 1 \n & 39, 39, 39, 39, 39, 39, 99, 40, 107, 106, & ! 2 \n & 107, 40, 107, 106, 107, 40, 40, 5, 5, 5, & ! 3 \n & 39, 39, 101, 101, 39, 39, 39, 68, 39, 39, & ! 4 \n & 43, 43, 39, 39, 12, 12, 12, 12, 12, 12, & ! 5 \n & 12, 13, 13, 13, 13, 12, 12, 12, 12, 12, & ! 6 \n & 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, & ! 7 \n & 6, 12, 12, 12, 12, 12, 12, 13, 12, 12, & ! 8 \n & 12, 12, 12, 12, 12, 12, 12, 12, 16, 16, & ! 9 \n & 16, 16, 12, 12, 5, 6, 6, 12, 5, 6, & ! O \n & 16, 16, 16, 16, 12, 12, 102, 6, 12, 12, & ! 1 \n & 16, 16, 12, 12, 16, 12, 16, 12, 16, 18, & ! 2 \n & 12, 12, 12, 12, 12, 17, 12, 6, 6, 6, & ! 3 \n & 6, 12, 12, 12, 16, 18, 20, 12, 12, 13, & ! 4 \n & 6, 12, 12, 123, 124, 12, 6, 6, 12, 6, & ! 5 \n & 6, 12, 12, 6, 6, 18, 0, 107, 107, 107, & ! 6 \n & 107, 107, 107, 107, 107, 107, 107, 107, 107, 5, & ! 7 \n & 18, 18, 29, 14, 13, 14, 130, 12, 12, 39, & ! 8 \n & 95, 16, 128, 111, 34, 43, 39, 22, 5, 6, & ! 9 \n & 27, 135, 122, 121, 121, 121, 137, 138, 121, 139, & ! O \n & 140, 140, 10, 9, 0, 141, 142, 144, 146, 148, & ! 1 \n & 150, 152, 154, 156, 24, 158, 159, 160, 162, 164, & ! 2 \n & 165, 167, 158, 159, 160, 162, 164, 165, 167, 121, & ! 3 \n & 161, 163, 138, 166, 136, 39, 12, 12, 12, 12, & ! 4 \n & 12, 12, 12, 161, 139, 138, 166, 136, 136, 43, & ! 5 \n & 6, 6, 6, 6, 6, 6, 6, 139, 138, 166, & ! 6 \n & 136, 136, 136, 161, 169, 118, 118, 6, 13, 16, & ! 7 \n & 173, 121, 121, 6, 13, 16, 175, 121, 118, 6, & ! 8 \n & 13, 16, 5, 5, 5, 5, 5, 5, 5, 5, & ! 9 \n & 5, 5, 5, 5, 5, 5, 5, 5/ ! O \n\n DATA ( IRR( IRXXN, 5 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 7, 0, 6, 7, 6, 12, 0, & ! O \n & 14, 16, 18, 20, 14, 20, 24, 24, 18, 20, & ! 1 \n & 20, 12, 29, 0, 14, 14, 20, 20, 20, 12, & ! 2 \n & 12, 12, 12, 12, 16, 6, 6, 8, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 5, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 6, 6, 0, 6, 0, 0, 8, 0, & ! 6 \n & 0, 6, 0, 47, 0, 0, 0, 52, 52, 0, & ! 7 \n & 0, 0, 12, 65, 68, 68, 68, 0, 77, 80, & ! 8 \n & 82, 82, 14, 0, 0, 0, 0, 0, 33, 87, & ! 9 \n & 0, 89, 14, 14, 14, 14, 29, 0, 12, 12, & ! O \n & 0, 13, 15, 17, 17, 16, 51, 24, 24, 28, & ! 1 \n & 0, 0, 103, 20, 8, 8, 27, 6, 0, 30, & ! 2 \n & 27, 12, 12, 12, 12, 76, 79, 24, 0, 12, & ! 3 \n & 12, 12, 12, 12, 12, 0, 112, 112, 112, 0, & ! 4 \n & 114, 116, 0, 14, 10, 10, 29, 30, 14, 14, & ! 5 \n & 37, 37, 10, 6, 0, 0, 0, 6, 0, 6, & ! 6 \n & 0, 6, 6, 6, 16, 16, 6, 6, 6, 118, & ! 7 \n & 118, 121, 121, 6, 6, 6, 23, 5, 6, 6, & ! 8 \n & 25, 5, 6, 6, 6, 6, 6, 6, 20, 20, & ! 9 \n & 12, 20, 6, 6, 6, 6, 6, 32, 12, 13, & ! O \n & 32, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 119, 119, 41, 41, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 16, 18, 20, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 13, 13, 16, 16, 13, 13, & ! 5 \n & 13, 12, 12, 12, 12, 13, 13, 13, 6, 6, & ! 6 \n & 13, 13, 13, 13, 16, 16, 20, 13, 13, 20, & ! 7 \n & 12, 20, 14, 123, 124, 13, 94, 12, 13, 6, & ! 8 \n & 6, 13, 16, 16, 16, 16, 16, 16, 12, 12, & ! 9 \n & 12, 12, 16, 16, 16, 106, 16, 16, 16, 25, & ! O \n & 6, 0, 18, 20, 16, 16, 16, 12, 16, 16, & ! 1 \n & 123, 124, 16, 16, 32, 16, 6, 16, 0, 0, & ! 2 \n & 13, 6, 16, 16, 6, 13, 17, 12, 12, 12, & ! 3 \n & 12, 6, 6, 6, 6, 6, 6, 6, 6, 20, & ! 4 \n & 12, 20, 6, 6, 6, 6, 94, 32, 6, 13, & ! 5 \n & 32, 43, 6, 13, 0, 0, 0, 97, 97, 97, & ! 6 \n & 97, 97, 97, 97, 97, 97, 97, 97, 97, 0, & ! 7 \n & 52, 52, 87, 12, 29, 12, 21, 6, 6, 0, & ! 8 \n & 13, 102, 14, 112, 12, 6, 120, 32, 17, 34, & ! 9 \n & 17, 0, 0, 6, 6, 136, 0, 0, 0, 121, & ! O \n & 0, 0, 0, 10, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 118, 121, 161, 163, 138, & ! 2 \n & 166, 43, 6, 6, 6, 6, 6, 6, 6, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 121, 161, 163, 138, & ! 4 \n & 166, 136, 118, 6, 6, 6, 6, 6, 6, 6, & ! 5 \n & 121, 161, 163, 138, 166, 136, 22, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 12, 139, 161, 12, 12, 12, & ! 7 \n & 12, 138, 139, 12, 12, 12, 12, 139, 161, 12, & ! 8 \n & 12, 12, 176, 176, 176, 176, 176, 176, 176, 176, & ! 9 \n & 176, 176, 176, 176, 176, 170, 119, 176/ ! O \n\n DATA ( IRR( IRXXN, 6 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 6, 0, & ! O \n & 0, 14, 14, 0, 0, 14, 14, 14, 20, 14, & ! 1 \n & 13, 20, 14, 0, 0, 0, 14, 30, 30, 14, & ! 2 \n & 13, 17, 17, 17, 0, 17, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 10, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 48, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 14, 12, 12, 12, 12, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 17, 26, 14, 0, 92, 92, & ! O \n & 0, 0, 0, 15, 0, 13, 30, 30, 30, 100, & ! 1 \n & 0, 0, 0, 30, 13, 13, 0, 0, 0, 27, & ! 2 \n & 13, 14, 16, 16, 16, 77, 80, 13, 0, 20, & ! 3 \n & 20, 16, 82, 82, 14, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 10, 0, 0, 30, 14, 10, 10, & ! 5 \n & 92, 92, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 13, 15, 18, 18, 13, 13, 15, 119, & ! 7 \n & 119, 122, 122, 13, 23, 107, 0, 107, 25, 107, & ! 8 \n & 0, 107, 106, 106, 0, 0, 13, 13, 30, 6, & ! 9 \n & 13, 30, 14, 0, 0, 27, 0, 12, 43, 17, & ! O \n & 39, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 122, 122, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 102, 102, 13, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 95, 15, 18, 18, 17, 17, & ! 5 \n & 17, 95, 95, 95, 95, 28, 23, 95, 13, 95, & ! 6 \n & 25, 95, 25, 6, 13, 13, 13, 34, 34, 14, & ! 7 \n & 13, 30, 13, 13, 13, 27, 13, 32, 43, 13, & ! 8 \n & 13, 0, 15, 18, 18, 13, 13, 17, 102, 102, & ! 9 \n & 102, 102, 13, 23, 102, 23, 102, 25, 102, 106, & ! O \n & 102, 0, 0, 13, 13, 34, 20, 13, 20, 14, & ! 1 \n & 0, 0, 27, 94, 0, 43, 13, 6, 0, 0, & ! 2 \n & 6, 15, 30, 18, 13, 12, 22, 36, 36, 36, & ! 3 \n & 36, 13, 17, 59, 0, 0, 13, 13, 34, 14, & ! 4 \n & 13, 30, 14, 0, 0, 27, 0, 12, 43, 17, & ! 5 \n & 39, 0, 13, 17, 0, 0, 0, 23, 25, 13, & ! 6 \n & 23, 25, 13, 23, 25, 13, 23, 25, 13, 0, & ! 7 \n & 0, 0, 0, 5, 30, 55, 12, 128, 128, 0, & ! 8 \n & 12, 12, 12, 128, 132, 120, 5, 12, 0, 90, & ! 9 \n & 12, 0, 0, 0, 0, 0, 0, 0, 0, 6, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 6, 6, 6, 6, 6, & ! 2 \n & 6, 6, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 121, 161, 163, 138, 166, 12, 22, & ! 5 \n & 12, 12, 12, 12, 12, 12, 12, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 118, 170, 171, 36, 95, 102, & ! 7 \n & 121, 170, 170, 118, 95, 102, 121, 176, 176, 118, & ! 8 \n & 95, 102, 34, 170, 170, 170, 170, 170, 170, 170, & ! 9 \n & 170, 170, 170, 170, 170, 136, 171, 170/ ! O \n\n DATA ( IRR( IRXXN, 7 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 8, 0, & ! O \n & 0, 0, 0, 0, 0, 13, 0, 0, 14, 0, & ! 1 \n & 0, 29, 21, 0, 0, 0, 0, 14, 14, 0, & ! 2 \n & 0, 0, 0, 0, 0, 22, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 32, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 22, 32, 32, 0, 37, 37, & ! O \n & 0, 0, 0, 0, 0, 0, 17, 17, 17, 0, & ! 1 \n & 0, 0, 0, 13, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 13, 18, 18, 20, 23, 25, 22, 0, 14, & ! 3 \n & 30, 20, 30, 30, 32, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 33, 13, 0, 0, & ! 5 \n & 117, 117, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 30, 30, 17, 15, 17, 6, & ! 7 \n & 6, 6, 6, 28, 106, 0, 0, 0, 13, 0, & ! 8 \n & 0, 0, 13, 13, 0, 0, 0, 34, 6, 14, & ! 9 \n & 27, 6, 13, 0, 0, 32, 0, 0, 0, 22, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 42, 42, 39, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 95, 30, 30, 95, 22, & ! 5 \n & 22, 36, 36, 36, 36, 31, 22, 107, 23, 13, & ! 6 \n & 22, 107, 6, 95, 102, 102, 95, 95, 95, 13, & ! 7 \n & 27, 13, 17, 0, 0, 32, 0, 0, 0, 17, & ! 8 \n & 32, 0, 102, 30, 30, 17, 17, 22, 36, 36, & ! 9 \n & 36, 36, 28, 102, 107, 16, 107, 22, 107, 16, & ! O \n & 107, 0, 0, 102, 34, 102, 14, 27, 30, 13, & ! 1 \n & 0, 0, 32, 0, 0, 0, 17, 32, 0, 0, & ! 2 \n & 0, 0, 18, 30, 17, 6, 6, 32, 32, 32, & ! 3 \n & 32, 28, 22, 13, 0, 0, 0, 34, 0, 6, & ! 4 \n & 27, 6, 13, 0, 0, 32, 0, 0, 0, 22, & ! 5 \n & 0, 0, 17, 22, 0, 0, 0, 5, 5, 31, & ! 6 \n & 5, 5, 31, 6, 6, 31, 6, 6, 31, 0, & ! 7 \n & 0, 0, 0, 13, 33, 20, 0, 13, 13, 0, & ! 8 \n & 128, 128, 5, 0, 0, 12, 12, 16, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 12, 12, 12, 12, 12, 0, 12, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 6, 32, 36, 36, & ! 7 \n & 0, 0, 6, 32, 118, 118, 0, 0, 6, 32, & ! 8 \n & 118, 118, 26, 119, 136, 34, 136, 136, 119, 136, & ! 9 \n & 136, 136, 136, 136, 119, 119, 122, 119/ ! O \n\n DATA ( IRR( IRXXN, 8 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 17, 0, 0, 0, 0, & ! 1 \n & 0, 30, 0, 0, 0, 0, 0, 32, 32, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 62, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 32, 33, 33, 0, 93, 93, & ! O \n & 0, 0, 0, 0, 0, 0, 22, 22, 22, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 62, 51, 51, 29, 4, 4, 12, 0, 33, & ! 3 \n & 14, 30, 14, 14, 34, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 10, 17, 0, 0, & ! 5 \n & 10, 10, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 6, 6, 0, 17, 19, 12, & ! 7 \n & 12, 12, 12, 31, 0, 0, 0, 0, 21, 0, & ! 8 \n & 0, 0, 22, 22, 0, 0, 0, 0, 17, 13, & ! 9 \n & 0, 13, 17, 0, 0, 39, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 96, 13, 13, 98, 95, & ! 5 \n & 95, 32, 32, 32, 32, 95, 95, 0, 95, 107, & ! 6 \n & 95, 0, 95, 107, 0, 0, 97, 97, 97, 102, & ! 7 \n & 95, 17, 22, 0, 0, 39, 0, 0, 0, 22, & ! 8 \n & 39, 0, 0, 13, 13, 102, 22, 102, 32, 32, & ! 9 \n & 32, 32, 31, 22, 0, 102, 0, 102, 0, 102, & ! O \n & 0, 0, 0, 0, 102, 0, 13, 16, 13, 17, & ! 1 \n & 0, 0, 39, 0, 0, 0, 22, 39, 0, 0, & ! 2 \n & 0, 0, 6, 6, 0, 26, 19, 120, 33, 33, & ! 3 \n & 33, 31, 0, 28, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 13, 17, 0, 0, 39, 0, 0, 0, 0, & ! 5 \n & 0, 0, 22, 43, 0, 0, 0, 12, 12, 5, & ! 6 \n & 12, 12, 5, 12, 12, 6, 12, 12, 6, 0, & ! 7 \n & 0, 0, 0, 32, 10, 5, 0, 131, 131, 0, & ! 8 \n & 57, 13, 13, 0, 0, 16, 16, 14, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 12, 33, 32, 32, & ! 7 \n & 0, 0, 12, 33, 32, 32, 0, 0, 12, 33, & ! 8 \n & 32, 32, 15, 171, 119, 26, 119, 119, 171, 119, & ! 9 \n & 119, 119, 119, 119, 171, 171, 139, 122/ ! O \n\n DATA ( IRR( IRXXN, 9 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 22, 0, 0, 0, 0, & ! 1 \n & 0, 14, 0, 0, 0, 0, 0, 33, 33, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 33, 39, 39, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 54, 20, 4, 14, 14, 14, 0, 62, & ! 3 \n & 13, 14, 13, 13, 62, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 6, 43, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 15, 13, 0, 19, 22, 36, & ! 7 \n & 36, 36, 36, 109, 0, 0, 0, 0, 106, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 33, 0, & ! 9 \n & 0, 17, 32, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 17, 17, 0, 97, & ! 5 \n & 97, 120, 33, 33, 33, 97, 97, 0, 106, 0, & ! 6 \n & 97, 0, 106, 0, 0, 0, 102, 0, 0, 16, & ! 7 \n & 97, 33, 32, 0, 0, 0, 0, 0, 0, 95, & ! 8 \n & 43, 0, 0, 17, 17, 0, 102, 0, 120, 33, & ! 9 \n & 33, 33, 102, 97, 0, 0, 0, 13, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 102, 17, 22, & ! 1 \n & 0, 0, 0, 0, 0, 0, 102, 43, 0, 0, & ! 2 \n & 0, 0, 15, 13, 0, 15, 15, 35, 120, 120, & ! 3 \n & 120, 32, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 17, 22, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 43, 0, 0, 0, 0, 125, 125, 12, & ! 6 \n & 125, 125, 12, 125, 125, 12, 125, 125, 12, 0, & ! 7 \n & 0, 0, 0, 0, 6, 13, 0, 43, 0, 0, & ! 8 \n & 31, 31, 55, 0, 0, 0, 0, 52, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 36, 120, 33, 33, & ! 7 \n & 0, 0, 118, 120, 33, 33, 0, 0, 32, 120, & ! 8 \n & 33, 33, 17, 122, 171, 22, 171, 171, 122, 171, & ! 9 \n & 171, 171, 171, 171, 122, 122, 163, 34/ ! O \n\n DATA ( IRR( IRXXN, 10 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 13, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 4, 14, 14, 0, 0, 0, 0, 0, & ! 3 \n & 33, 13, 32, 32, 102, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 17, 15, 0, 26, 27, 32, & ! 7 \n & 32, 32, 32, 32, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 33, 22, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 22, 22, 0, 0, & ! 5 \n & 0, 35, 120, 120, 120, 17, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 95, & ! 7 \n & 0, 95, 33, 0, 0, 0, 0, 0, 0, 97, & ! 8 \n & 0, 0, 0, 22, 22, 0, 0, 0, 35, 120, & ! 9 \n & 120, 120, 0, 0, 0, 0, 0, 97, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 33, 32, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 17, 17, 0, 19, 27, 90, 34, 35, & ! 3 \n & 35, 27, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 33, 32, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 125, & ! 6 \n & 0, 0, 125, 0, 0, 125, 0, 0, 125, 0, & ! 7 \n & 0, 0, 0, 0, 0, 16, 0, 0, 0, 0, & ! 8 \n & 131, 131, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 32, 35, 120, 120, & ! 7 \n & 0, 0, 32, 35, 120, 120, 0, 0, 33, 35, & ! 8 \n & 120, 120, 16, 139, 166, 15, 122, 166, 161, 166, & ! 9 \n & 122, 166, 166, 122, 139, 138, 161, 26/ ! O \n\n DATA ( IRR( IRXXN, 11 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 14, 4, 13, 0, 0, 0, 0, 0, & ! 3 \n & 62, 15, 33, 33, 42, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 19, 17, 0, 43, 43, 120, & ! 7 \n & 33, 33, 33, 27, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 33, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 32, 95, 0, 0, & ! 5 \n & 0, 90, 34, 35, 35, 32, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 97, & ! 7 \n & 0, 97, 95, 0, 0, 0, 0, 0, 0, 43, & ! 8 \n & 0, 0, 0, 32, 102, 0, 0, 0, 90, 34, & ! 9 \n & 35, 35, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 102, 33, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 26, 22, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 17, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 33, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 21, 21, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 33, 0, 35, 35, & ! 7 \n & 0, 0, 33, 0, 35, 35, 0, 0, 120, 0, & ! 8 \n & 35, 35, 18, 161, 122, 17, 138, 122, 121, 122, & ! 9 \n & 138, 122, 122, 138, 163, 139, 121, 15/ ! O \n\n DATA ( IRR( IRXXN, 12 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 49, 49, 28, 0, 0, 0, 0, 0, & ! 3 \n & 102, 22, 39, 34, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 26, 26, 0, 0, 0, 35, & ! 7 \n & 120, 120, 120, 17, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 95, 97, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 27, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 102, 97, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 102, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 102, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 19, 26, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 120, 0, 0, 0, & ! 7 \n & 0, 0, 120, 0, 0, 0, 0, 0, 35, 0, & ! 8 \n & 0, 0, 51, 121, 138, 16, 139, 138, 118, 138, & ! 9 \n & 139, 138, 138, 139, 161, 163, 118, 17/ ! O \n\n DATA ( IRR( IRXXN, 13 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 50, 50, 31, 0, 0, 0, 0, 0, & ! 3 \n & 17, 32, 0, 39, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 43, 19, 0, 0, 0, 90, & ! 7 \n & 34, 35, 35, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 97, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 19, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 35, 0, 0, 0, & ! 7 \n & 0, 0, 35, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 85, 118, 139, 18, 163, 139, 39, 139, & ! 9 \n & 161, 139, 139, 163, 121, 161, 177, 16/ ! O \n\n DATA ( IRR( IRXXN, 14 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 53, 13, 62, 0, 0, 0, 0, 0, & ! 3 \n & 0, 33, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 22, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 15, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 41, 163, 51, 161, 163, 34, 163, & ! 9 \n & 121, 163, 163, 161, 118, 121, 178, 18/ ! O \n\n DATA ( IRR( IRXXN, 15 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 63, 15, 57, 0, 0, 0, 0, 0, & ! 3 \n & 0, 62, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 27, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 27, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 39, 161, 85, 121, 161, 26, 161, & ! 9 \n & 118, 161, 161, 121, 177, 118, 41, 51/ ! O \n\n DATA ( IRR( IRXXN, 16 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 13, 17, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 43, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 34, 121, 54, 118, 121, 22, 121, & ! 9 \n & 177, 121, 121, 118, 178, 177, 39, 85/ ! O \n\n DATA ( IRR( IRXXN, 17 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 15, 19, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 26, 118, 0, 177, 118, 15, 118, & ! 9 \n & 41, 118, 118, 177, 41, 178, 34, 0/ ! O \n\n DATA ( IRR( IRXXN, 18 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 17, 22, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 22, 177, 0, 39, 177, 17, 177, & ! 9 \n & 39, 177, 177, 178, 39, 41, 27, 0/ ! O \n\n DATA ( IRR( IRXXN, 19 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 19, 27, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 15, 178, 0, 34, 178, 16, 178, & ! 9 \n & 34, 178, 178, 41, 34, 39, 26, 0/ ! O \n\n DATA ( IRR( IRXXN, 20 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 36, 102, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 17, 41, 0, 27, 41, 18, 41, & ! 9 \n & 27, 41, 41, 39, 27, 34, 15, 0/ ! O \n\n DATA ( IRR( IRXXN, 21 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 26, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 16, 34, 0, 26, 39, 51, 34, & ! 9 \n & 26, 39, 39, 34, 26, 27, 17, 0/ ! O \n\n DATA ( IRR( IRXXN, 22 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 27, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 18, 27, 0, 15, 34, 85, 27, & ! 9 \n & 15, 34, 34, 27, 15, 26, 16, 0/ ! O \n\n DATA ( IRR( IRXXN, 23 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 62, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 51, 26, 0, 17, 27, 54, 26, & ! 9 \n & 17, 27, 27, 26, 17, 15, 18, 0/ ! O \n\n DATA ( IRR( IRXXN, 24 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 102, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 85, 15, 0, 16, 26, 86, 15, & ! 9 \n & 16, 26, 26, 15, 16, 17, 51, 0/ ! O \n\n DATA ( IRR( IRXXN, 25 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 54, 17, 0, 18, 15, 0, 17, & ! 9 \n & 18, 15, 15, 17, 18, 16, 85, 0/ ! O \n\n DATA ( IRR( IRXXN, 26 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 86, 16, 0, 51, 17, 0, 16, & ! 9 \n & 51, 17, 17, 16, 51, 18, 54, 0/ ! O \n\n DATA ( IRR( IRXXN, 27 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 18, 0, 85, 16, 0, 18, & ! 9 \n & 85, 16, 16, 18, 85, 51, 0, 0/ ! O \n\n DATA ( IRR( IRXXN, 28 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 51, 0, 54, 18, 0, 51, & ! 9 \n & 54, 18, 18, 51, 54, 85, 0, 0/ ! O \n\n DATA ( IRR( IRXXN, 29 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 85, 0, 0, 51, 0, 85, & ! 9 \n & 0, 51, 51, 85, 0, 54, 0, 0/ ! O \n\n DATA ( IRR( IRXXN, 30 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 54, 0, 0, 85, 0, 54, & ! 9 \n & 0, 85, 85, 54, 0, 0, 0, 0/ ! O \n\n DATA ( IRR( IRXXN, 31 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 54, 0, 0, & ! 9 \n & 0, 54, 54, 0, 0, 0, 0, 0/ ! O \n\n DATA ( RTDAT( 1,IRXXN ), IRXXN = 1, NRXNS ) / & \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! O \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 1 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 2 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 3 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.7000D-12, 1.0000D-14, & ! + \n & 3.0000D-12, 1.2000D-13, 6.1000D-34, 8.0000D-12, 3.3000D-11, & ! 4 \n & 2.1500D-11, 1.6300D-10, 2.8000D-12, 4.8000D-11, 3.0000D-13, & ! + \n & 4.2000D-34, 1.8000D-12, 9.1000D-32, 7.1000D-31, 3.4400D-12, & ! 5 \n & 6.0950D-14, 4.2500D-39, 3.0000D-12, 5.3000D-12, 3.4000D-31, & ! + \n & 1.8000D-30, 2.4000D-14, 2.0000D-11, 3.5000D-12, 1.7000D-11, & ! 6 \n & 4.3500D-14, 8.5000D-13, 2.4000D-30, 5.8000D-27, 1.0000D-22, & ! + \n & 1.9000D-31, 2.1000D-27, 4.5000D-13, 2.9000D-31, 1.4400D-13, & ! 7 \n & 2.4500D-12, 7.6600D-12, 7.6800D-12, 1.0100D-11, 1.0000D-28, & ! + \n & 5.7200D-12, 1.3300D-11, 5.5000D-30, 2.3300D-12, 1.8100D-12, & ! 8 \n & 2.3300D-11, 7.1600D-12, 2.7000D-11, 1.2100D-11, 4.2000D-11, & ! + \n & 5.2000D-12, 1.0000D-10, 5.5000D-12, 4.7000D-12, 4.9000D-12, & ! 9 \n & 4.5600D-14, 1.5000D-12, 2.8000D-12, 3.0000D-12, 8.0000D-12, & ! + \n & 2.6000D-12, 5.7700D-12, 1.1000D-11, 9.2600D-13, 2.8000D-11, & ! O \n & 2.8000D-11, 1.0000D-11, 5.3200D-12, 6.7500D-12, 4.6500D-11, & ! + \n & 2.0500D-10, 2.8500D-12, 3.0000D-12, 2.6000D-12, 1.4700D-11, & ! 1 \n & 2.9000D-12, 3.4000D-12, 3.4000D-12, 3.4000D-12, 1.0000D-10, & ! + \n & 3.0000D-11, 4.5000D-13, 4.0000D-14, 2.9300D-12, 4.0000D-14, & ! 2 \n & 4.0000D-14, 3.2000D-11, 5.3100D-12, 4.8000D-12, 5.6000D-12, & ! + \n & 1.3000D-11, 9.1400D-15, 4.3300D-15, 4.4000D-15, 7.8600D-15, & ! 3 \n & 5.0000D-16, 2.9500D-15, 8.3000D-18, 1.6700D-16, 1.3600D-15, & ! + \n & 8.5000D-16, 1.6600D-18, 2.0000D-16, 2.0000D-16, 9.0000D-17, & ! 4 \n & 2.8600D-13, 4.3920D-13, 1.7900D-13, 8.6400D-13, 3.0300D-12, & ! + \n & 1.1900D-12, 1.2200D-11, 3.1500D-14, 2.0000D-12, 1.4000D-12, & ! 5 \n & 3.7600D-12, 3.4000D-15, 5.0200D-13, 2.9000D-12, 3.7600D-12, & ! + \n & 3.7800D-12, 1.0600D-12, 2.0100D-10, 2.2000D-14, 1.0000D+00, & ! 6 \n & 1.0000D+00, 9.7000D-29, 9.0000D-29, 9.7000D-29, 9.0000D-29, & ! + \n & 2.8000D-12, 1.6000D+16, 2.8000D-12, 2.6000D-12, 4.0000D-12, & ! 7 \n & 4.0000D-12, 9.0000D-12, 4.0000D-12, 4.0000D-12, 2.7000D-12, & ! + \n & 2.7000D-12, 2.7000D-12, 2.7000D-12, 2.4300D-12, 4.0000D-12, & ! 8 \n & 4.0000D-12, 4.0000D-12, 4.0000D-12, 4.0000D-12, 4.0000D-12, & ! + \n & 4.0000D-12, 4.0000D-12, 2.7000D-12, 2.7000D-12, 8.1000D-12, & ! 9 \n & 8.1000D-12, 2.9000D-12, 4.0000D-12, 4.0000D-12, 2.5400D-12, & ! + \n & 2.5400D-12, 2.5400D-12, 2.5400D-12, 4.0000D-12, 4.0000D-12, & ! O \n & 2.7000D-12, 2.7000D-12, 4.0000D-12, 4.0000D-12, 4.0000D-12, & ! + \n & 2.7000D-12, 4.0000D-12, 2.0000D-11, 2.0000D-11, 2.0800D-12, & ! 1 \n & 4.1000D-13, 7.5000D-13, 1.6600D-13, 1.6600D-13, 1.9000D-13, & ! + \n & 1.6600D-13, 1.6600D-13, 2.9100D-13, 2.9100D-13, 2.9100D-13, & ! 2 \n & 2.9100D-13, 2.0500D-13, 1.5000D-11, 1.5000D-11, 1.5000D-11, & ! + \n & 1.5000D-11, 1.5000D-11, 1.5000D-11, 1.5000D-11, 1.5000D-11, & ! 3 \n & 2.9100D-13, 2.9100D-13, 4.3000D-13, 4.3000D-13, 1.1500D-13, & ! + \n & 1.1500D-13, 1.1500D-13, 1.8200D-13, 1.8200D-13, 2.9100D-13, & ! 4 \n & 2.9100D-13, 3.7500D-13, 1.0000D-11, 3.7500D-13, 1.1500D-13, & ! + \n & 1.6600D-13, 1.6600D-13, 3.7500D-13, 1.6600D-13, 9.5000D-14, & ! 5 \n & 1.1800D-13, 9.4600D-14, 1.0000D-13, 1.7100D-13, 1.4600D-13, & ! + \n & 9.1800D-14, 3.5600D-14, 3.5600D-14, 3.5600D-14, 3.5600D-14, & ! 6 \n & 3.4000D-14, 3.5600D-14, 1.0000D-10, 3.5600D-14, 1.0000D-10, & ! + \n & 3.5600D-14, 1.0000D-10, 3.5600D-14, 1.0000D-10, 2.0000D-11, & ! 7 \n & 2.0000D-11, 7.5000D-13, 6.9100D-13, 6.9100D-13, 3.4000D-14, & ! + \n & 3.4000D-14, 8.3700D-14, 3.4000D-14, 3.5600D-14, 3.5600D-14, & ! 8 \n & 3.5600D-14, 3.5600D-14, 7.5000D-13, 1.6000D-13, 9.6800D-14, & ! + \n & 3.5600D-14, 5.9900D-15, 1.0300D-12, 6.9000D-13, 5.5900D-13, & ! 9 \n & 9.4800D-13, 8.1100D-13, 5.0900D-13, 7.4000D-13, 7.4000D-13, & ! + \n & 7.4000D-13, 7.4000D-13, 8.4000D-14, 7.4000D-13, 1.0000D-10, & ! O \n & 7.4000D-13, 1.0000D-10, 7.4000D-13, 1.0000D-10, 7.4000D-13, & ! + \n & 1.0000D-10, 2.5000D-12, 2.5000D-12, 7.5100D-13, 7.5100D-13, & ! 1 \n & 7.5100D-13, 8.4000D-14, 8.4000D-14, 1.6800D-12, 1.6800D-12, & ! + \n & 7.4000D-13, 7.4000D-13, 7.4000D-13, 7.4000D-13, 7.5100D-13, & ! 2 \n & 8.8500D-13, 5.3700D-13, 7.4000D-13, 3.4000D-14, 2.5000D-12, & ! + \n & 1.2000D-12, 1.2000D-12, 1.2000D-12, 1.2000D-12, 1.2000D-12, & ! 3 \n & 1.2000D-12, 1.2000D-12, 2.3000D-12, 2.3000D-12, 2.3000D-12, & ! + \n & 2.3000D-12, 1.2000D-12, 1.2000D-12, 1.2000D-12, 4.0000D-12, & ! 4 \n & 4.0000D-12, 1.2000D-12, 1.2000D-12, 1.2000D-12, 1.2000D-12, & ! + \n & 1.2000D-12, 2.5000D-12, 2.5000D-12, 2.5000D-12, 2.5000D-12, & ! 5 \n & 1.2000D-12, 1.2000D-12, 1.2000D-12, 1.2000D-12, 1.2000D-12, & ! + \n & 1.2000D-12, 7.0000D-14, 4.2500D-14, 2.9600D-14, 1.2000D-12, & ! 6 \n & 2.5000D-12, 7.1300D-17, 1.0000D-10, 1.0000D-10, 1.0000D-10, & ! + \n & 1.0000D-10, 1.0000D-10, 1.0000D-10, 1.0000D-10, 1.0000D-10, & ! 7 \n & 1.0000D-10, 1.0000D-10, 1.0000D-10, 1.0000D-10, 5.7800D-11, & ! + \n & 6.8900D-12, 6.5500D-14, 8.0000D-12, 2.9000D-19, 3.4000D-15, & ! 8 \n & 1.0000D+00, 1.4800D-11, 9.0500D-12, 2.3000D-12, 1.6100D-11, & ! + \n & 2.3900D-12, 1.3700D-11, 1.3400D-14, 1.0000D-13, 5.0100D-11, & ! 9 \n & 2.7000D-12, 3.7500D-13, 4.4000D-11, 3.4300D-17, 8.9900D-12, & ! + \n & 1.2000D-11, 1.9000D-11, 2.8400D-13, 2.7000D-12, 2.3000D-12, & ! O \n & 1.2000D-14, 1.9700D-10, 2.8400D-13, 2.3000D-12, 2.7000D-12, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 6.7006D-11, & ! 1 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.5300D-11, 1.6800D-11, & ! + \n & 2.2400D-11, 2.6700D-11, 3.0900D-11, 3.3800D-11, 1.1000D-11, & ! 2 \n & 2.7000D-12, 2.7000D-12, 2.7000D-12, 2.7000D-12, 2.7000D-12, & ! + \n & 2.7000D-12, 2.7000D-12, 2.3000D-12, 2.3000D-12, 2.3000D-12, & ! 3 \n & 2.3000D-12, 2.3000D-12, 2.3000D-12, 2.3000D-12, 2.1700D-11, & ! + \n & 2.2000D-11, 2.2500D-11, 2.2600D-11, 2.2700D-11, 2.2700D-11, & ! 4 \n & 2.6600D-13, 1.8800D-01, 1.8800D-01, 1.8800D-01, 1.8800D-01, & ! + \n & 1.8800D-01, 1.8800D-01, 1.8800D-01, 2.7000D-12, 2.7000D-12, & ! 5 \n & 2.7000D-12, 2.7000D-12, 2.7000D-12, 2.7000D-12, 2.7000D-12, & ! + \n & 2.3000D-12, 2.3000D-12, 2.3000D-12, 2.3000D-12, 2.3000D-12, & ! 6 \n & 2.3000D-12, 2.3000D-12, 2.1700D-11, 2.2000D-11, 2.2500D-11, & ! + \n & 2.2600D-11, 2.2700D-11, 2.2700D-11, 2.6600D-13, 1.8100D-11, & ! 7 \n & 2.9100D-13, 2.7000D-12, 2.3000D-12, 3.5600D-14, 7.4000D-13, & ! + \n & 1.8100D-11, 2.9100D-13, 2.7000D-12, 2.3000D-12, 3.5600D-14, & ! 8 \n & 7.4000D-13, 2.3100D-11, 2.9100D-13, 2.7000D-12, 2.3000D-12, & ! + \n & 3.5600D-14, 7.4000D-13, 5.9000D-11, 6.0700D-11, 5.5400D-11, & ! 9 \n & 5.6300D-11, 5.4600D-11, 4.5000D-11, 5.1700D-11, 4.7300D-11, & ! + \n & 4.6000D-11, 3.8000D-11, 3.9300D-11, 3.5200D-11, 3.1200D-11, & ! O \n & 2.4000D-11, 2.0500D-11, 4.6900D-11/ ! + \n\n DATA ( RTDAT( 2,IRXXN ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00,-2.4000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.6000D+02, & ! + \n & 2.6600D+03, 0.0000D+00,-1.5000D+00,-2.6000D+00, 0.0000D+00, & ! 5 \n & 2.7000D+02, 0.0000D+00, 0.0000D+00, 0.0000D+00,-1.6000D+00, & ! + \n & -3.0000D+00, 4.6000D+02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00,-3.0000D+00, 1.0840D+04, 0.0000D+00, & ! + \n & -3.4000D+00, 1.0900D+04, 0.0000D+00,-4.1000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00,-4.5000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 3.6500D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 2.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00,-5.6000D+00, 1.4000D+04,-5.6000D+00, 1.4000D+04, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.4153D-08, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00/ ! + \n\n DATA ( RTDAT( 3,IRXXN ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00,-9.4000D+02,-4.9000D+02, & ! + \n & -1.5000D+03,-2.4500D+03, 0.0000D+00,-2.0600D+03, 5.5000D+01, & ! 4 \n & 1.1000D+02, 6.0000D+01,-1.8000D+03, 2.5000D+02, 2.1000D-33, & ! + \n & 2.9400D-54, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.6000D+02, & ! 5 \n & 6.8570D-34, 6.6350D+02, 2.5000D+02, 2.0000D+02, 0.0000D+00, & ! + \n & 0.0000D+00, 2.7000D-17, 0.0000D+00, 0.0000D+00, 1.2500D+02, & ! 6 \n & -1.3350D+03,-2.4500D+03, 0.0000D+00, 6.8000D+01, 0.0000D+00, & ! + \n & 0.0000D+00, 7.1000D+01, 6.1000D+02, 0.0000D+00, 2.7400D-33, & ! 7 \n & -1.7750D+03,-1.0200D+03,-3.7000D+02,-2.4500D+02, 0.0000D+00, & ! + \n & 5.0000D+02, 5.0000D+02, 0.0000D+00,-1.9300D+02, 3.5400D+02, & ! 8 \n & 0.0000D+00, 0.0000D+00, 3.9000D+02, 4.4000D+02, 4.0100D+02, & ! + \n & 6.0000D+02, 0.0000D+00, 1.2500D+02, 3.4500D+02, 4.0500D+02, & ! 9 \n & -4.2700D+02,-9.0000D+01, 1.0000D+01, 0.0000D+00, 3.8000D+02, & ! + \n & 6.1000D+02, 5.3300D+02, 0.0000D+00, 8.3000D+02, 1.7500D+02, & ! O \n & 1.7500D+02, 0.0000D+00, 2.4300D+02, 4.0500D+02, 0.0000D+00, & ! + \n & 0.0000D+00,-3.4500D+02, 2.0000D+01, 2.0000D+02, 0.0000D+00, & ! 1 \n & 1.9000D+02, 1.9000D+02, 1.9000D+02, 1.9000D+02, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 8.5000D+02, 1.9000D+02, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00,-2.6000D+02, 0.0000D+00, 2.7000D+02, & ! + \n & 0.0000D+00,-2.5800D+03,-1.8000D+03,-8.4500D+02,-1.9130D+03, & ! 3 \n & -5.3000D+02,-7.8300D+02, 0.0000D+00, 0.0000D+00,-2.1120D+03, & ! + \n & -1.5200D+03, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00,-2.2820D+03,-4.5000D+02, 4.5000D+02,-4.4600D+02, & ! + \n & 4.9000D+02, 0.0000D+00,-4.4800D+02,-2.4400D+03,-1.9000D+03, & ! 5 \n & -1.9000D+03, 0.0000D+00,-1.0760D+03,-1.9000D+03,-1.9000D+03, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00,-5.0000D+02, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 1.6700D+02, 0.0000D+00, 1.6900D+02, & ! + \n & 1.8100D+02,-1.3486D+04, 3.0000D+02, 3.6500D+02, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.6000D+02, & ! + \n & 3.6000D+02, 3.6000D+02, 3.6000D+02, 3.6000D+02, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 3.6000D+02, 3.6000D+02, 2.7000D+02, & ! 9 \n & 2.7000D+02, 3.0000D+02, 0.0000D+00, 0.0000D+00, 3.6000D+02, & ! + \n & 3.6000D+02, 3.6000D+02, 3.6000D+02, 0.0000D+00, 0.0000D+00, & ! O \n & 3.6000D+02, 3.6000D+02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 3.6000D+02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 7.5000D+02, 7.0000D+02, 1.3000D+03, 1.3000D+03, 1.3000D+03, & ! + \n & 1.3000D+03, 1.3000D+03, 1.3000D+03, 1.3000D+03, 1.3000D+03, & ! 2 \n & 1.3000D+03, 1.3000D+03, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 1.3000D+03, 1.3000D+03, 1.0400D+03, 1.0400D+03, 1.3000D+03, & ! + \n & 1.3000D+03, 1.3000D+03, 1.3000D+03, 1.3000D+03, 1.3000D+03, & ! 4 \n & 1.3000D+03, 9.8000D+02, 0.0000D+00, 9.8000D+02, 1.3000D+03, & ! + \n & 1.3000D+03, 1.3000D+03, 9.8000D+02, 1.3000D+03, 3.9000D+02, & ! 5 \n & 1.5800D+02, 4.3100D+02, 4.6700D+02, 7.0800D+02, 7.0800D+02, & ! + \n & 7.0800D+02, 7.0800D+02, 7.0800D+02, 7.0800D+02, 7.0800D+02, & ! 6 \n & 2.2100D+02, 7.0800D+02, 0.0000D+00, 7.0800D+02, 0.0000D+00, & ! + \n & 7.0800D+02, 0.0000D+00, 7.0800D+02, 0.0000D+00, 5.0000D+02, & ! 7 \n & 5.0000D+02, 5.0000D+02, 5.0800D+02, 5.0800D+02, 2.2100D+02, & ! + \n & 2.2100D+02, 0.0000D+00, 2.2100D+02, 7.0800D+02, 7.0800D+02, & ! 8 \n & 7.0800D+02, 7.0800D+02, 5.0000D+02, 7.0800D+02, 7.0800D+02, & ! + \n & 0.0000D+00, 1.5100D+03, 2.1100D+02, 4.6000D+02, 5.2200D+02, & ! 9 \n & 7.6500D+02, 7.6500D+02, 7.6500D+02, 7.6500D+02, 7.6500D+02, & ! + \n & 7.6500D+02, 7.6500D+02, 2.2100D+02, 7.6500D+02, 0.0000D+00, & ! O \n & 7.6500D+02, 0.0000D+00, 7.6500D+02, 0.0000D+00, 7.6500D+02, & ! + \n & 0.0000D+00, 5.0000D+02, 5.0000D+02, 5.6500D+02, 5.6500D+02, & ! 1 \n & 5.6500D+02, 2.2100D+02, 2.2100D+02, 5.0000D+02, 5.0000D+02, & ! + \n & 7.6500D+02, 7.6500D+02, 7.0800D+02, 7.0800D+02, 5.6500D+02, & ! 2 \n & 7.6500D+02, 7.6500D+02, 7.0800D+02, 1.5600D+03, 5.0000D+02, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+03, 1.0000D+03, 1.0000D+03, 0.0000D+00, & ! 6 \n & 5.0000D+02, 2.9500D+03, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00,-4.0000D+02, & ! + \n & 0.0000D+00, 0.0000D+00, 3.8000D+02, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 4.4800D+02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00,-2.2830D+03, 0.0000D+00, 0.0000D+00, & ! 9 \n & 3.6000D+02, 9.8000D+02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.3000D+03, 3.6000D+02, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 1.3000D+03, 0.0000D+00, 3.6000D+02, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.0000D-06, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 3.6000D+02, 3.6000D+02, 3.6000D+02, 3.6000D+02, 3.6000D+02, & ! + \n & 3.6000D+02, 3.6000D+02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 1.3000D+03, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.6000D+02, 3.6000D+02, & ! 5 \n & 3.6000D+02, 3.6000D+02, 3.6000D+02, 3.6000D+02, 3.6000D+02, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.3000D+03, 0.0000D+00, & ! 7 \n & 1.3000D+03, 3.6000D+02, 0.0000D+00, 7.0800D+02, 7.6500D+02, & ! + \n & 0.0000D+00, 1.3000D+03, 3.6000D+02, 0.0000D+00, 7.0800D+02, & ! 8 \n & 7.6500D+02, 0.0000D+00, 1.3000D+03, 3.6000D+02, 0.0000D+00, & ! + \n & 7.0800D+02, 7.6500D+02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00/ ! + \n INTEGER :: IRRFALL( NFALLOFF )\n\n DATA ( IRRFALL( IRXXN ), IRXXN = 1, NFALLOFF ) / & \n & 50, 51, 53, 54, 56, 60, 61, 62, 68, 71, & \n & 74, 75, 80, 83, 167, 169, 415/\n\n DATA ( RFDAT( 1,IRXXN ), IRXXN = 1, NFALLOFF ) / & \n & 9.2000D+02, 3.1200D+03, 3.0000D-11, 3.6000D-11, 2.7000D+02, & \n & 2.3000D-11, 2.8000D-11, 2.1990D+03, 1.6000D-12, 4.0000D-12, & \n & 1.7000D-12, 0.0000D+00, 8.8000D-12, 8.3000D-13, 9.3000D-12, & \n & 9.3000D-12, 1.0743D+01/\n\n DATA ( RFDAT( 2,IRXXN ), IRXXN = 1, NFALLOFF ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00,-1.0000D-01,-1.0000D+00, & \n & -2.0000D-01, 0.0000D+00, 6.5000D-34, 1.0000D-01,-3.0000D-01, & \n & 2.0000D-01, 0.0000D+00,-8.5000D-01, 2.0000D+00,-1.5000D+00, & \n & -1.5000D+00,-6.7130D-01/\n\n DATA ( RFDAT( 3,IRXXN ), IRXXN = 1, NFALLOFF ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, & \n & 0.0000D+00, 0.0000D+00, 1.3350D+03, 0.0000D+00, 0.0000D+00, & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & \n & 0.0000D+00, 0.0000D+00/\n\n DATA ( RFDAT( 4,IRXXN ), IRXXN = 1, NFALLOFF ) / & \n & 0.0000D+00, 0.0000D+00, 6.0000D-01, 6.0000D-01,-5.9680D-14, & \n & 6.0000D-01, 6.0000D-01, 0.0000D+00, 6.0000D-01, 6.0000D-01, & \n & 6.0000D-01, 0.0000D+00, 6.0000D-01, 6.0000D-01, 6.0000D-01, & \n & 6.0000D-01, 0.0000D+00/\n\n DATA ( RFDAT( 5,IRXXN ), IRXXN = 1, NFALLOFF ) / & \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, 2.7000D+02, & \n & 1.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, & \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & \n & 1.0000D+00, 0.0000D+00/\n\n REAL( 8 ) :: SC( NRXNS,MXPRD )\n\n DATA ( SC( IRXXN, 1 ), IRXXN = 1, NRXNS ) / & \n & 1.0000D+00, 1.0000D+00, 2.0000D+00, 1.0000D+00, 1.0000D+00, & ! O \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 2.0000D-01, 1.0000D+00, & ! + \n & 2.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 2.0000D+00, & ! 1 \n & 1.2200D+00, 1.0000D+00, 1.0000D+00, 1.0000D-01, 1.5000D+00, & ! + \n & 1.0000D+00, 3.4000D-01, 3.0000D-01, 2.0000D+00, 1.0000D+00, & ! 2 \n & 2.0000D+00, 1.0000D+00, 1.5000D+00, 1.5000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 3 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, & ! 4 \n & 1.0000D+00, 2.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 5 \n & 1.0000D+00, 2.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 7.0000D-01, 2.0000D+00, & ! 6 \n & 1.0000D+00, 2.0000D+00, 1.0000D+00, 1.0000D+00, 2.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 7 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 6.5000D-01, 4.7000D-01, 8.2000D-01, & ! 8 \n & 8.3000D-01, 8.2000D-01, 1.0000D+00, 9.7500D-01, 9.4500D-01, & ! + \n & 2.3000D-01, 7.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 9 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 5.7000D-01, & ! + \n & 1.0000D+00, 3.1300D-01, 1.0000D+00, 1.0000D+00, 5.2000D-01, & ! O \n & 5.2000D-01, 5.6000D-01, 1.0000D+00, 1.5200D-01, 2.0000D-01, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 1 \n & 3.5000D-01, 1.0000D-02, 1.0000D-02, 1.0000D-02, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 6.4000D-01, 3.5000D-01, 1.0000D+00, & ! 2 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 8.0000D-02, 2.2000D-01, 4.6000D-01, 2.5000D-01, & ! 3 \n & 9.0000D-01, 8.4000D-01, 4.0000D-02, 1.0000D+00, 1.9000D-01, & ! + \n & 1.6000D-01, 1.0000D-01, 5.0000D-02, 5.0000D-02, 5.0000D-02, & ! 4 \n & 1.0000D+00, 8.0000D-01, 4.3000D-01, 1.1000D-01, 1.0000D+00, & ! + \n & 9.7500D-01, 9.4500D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 5 \n & 1.0000D+00, 6.8000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.5200D-01, 2.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 6 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 6.6000D-01, & ! 7 \n & 2.0000D-01, 1.0000D+00, 7.8000D-01, 8.3000D-01, 0.0000D+00, & ! + \n & 2.0000D-04, 1.0000D-04, 2.0000D-04, 8.8000D-01, 8.2000D-01, & ! 8 \n & 8.2000D-01, 2.0000D+00, 8.2000D-01, 7.7000D-01, 7.7000D-01, & ! + \n & 2.0000D+00, 7.7000D-01, 9.5000D-01, 9.4000D-01, 1.0000D+00, & ! 9 \n & 1.0000D+00, 1.0000D+00, 6.7000D-01, 7.7000D-01, 6.5000D-01, & ! + \n & 1.0000D+00, 3.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! O \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 2.0000D+00, & ! + \n & 2.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 1 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 6.0210D-01, 7.1950D-01, 4.8200D-02, & ! 2 \n & 8.5400D-02, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 3 \n & 1.0000D+00, 1.0000D+00, 4.4000D-01, 4.4000D-01, 1.5000D-01, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 4 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 7.4000D-01, & ! 5 \n & 1.0000D+00, 8.9400D-01, 8.4200D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 6.8000D-01, 6.8000D-01, 6.8000D-01, 6.8000D-01, & ! 6 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 3.7000D-01, 7.5000D-01, & ! + \n & 1.0000D+00, 1.0000D+00, 3.7000D-01, 7.5000D-01, 9.0000D-01, & ! 7 \n & 9.0000D-01, 5.0000D-01, 8.3400D-01, 1.0000D+00, 5.0000D-01, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 8 \n & 2.0000D+00, 1.0000D+00, 1.0000D+00, 2.0000D+00, 5.0000D-01, & ! + \n & 1.0000D+00, 1.0000D+00, 5.0000D-01, 3.9400D-01, 3.4200D-01, & ! 9 \n & 5.0000D-01, 5.0000D-01, 5.0000D-01, 7.0000D-01, 7.0000D-01, & ! + \n & 7.0000D-01, 7.0000D-01, 5.0000D-01, 6.3000D-01, 5.0000D-01, & ! O \n & 8.6000D-01, 5.0000D-01, 6.3000D-01, 5.0000D-01, 7.0000D-01, & ! + \n & 5.0000D-01, 2.0000D+00, 1.0000D+00, 5.0000D-01, 3.3000D-01, & ! 1 \n & 5.0000D-01, 6.3500D-01, 1.0000D+00, 5.0000D-01, 5.0000D-01, & ! + \n & 1.0000D+00, 1.0000D+00, 2.0000D+00, 1.0000D+00, 1.0000D+00, & ! 2 \n & 1.0000D+00, 5.0000D-01, 1.0000D+00, 1.0000D+00, 2.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 2.5400D-01, 4.8800D-01, 1.0000D+00, & ! 3 \n & 4.7000D-01, 8.6000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 4 \n & 1.0000D+00, 1.0000D+00, 6.7000D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 3.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 5 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 2.0000D+00, & ! + \n & 2.0000D+00, 1.0000D+00, 5.0000D-01, 1.0000D+00, 1.0000D+00, & ! 6 \n & 1.0000D+00, 0.0000D+00, 9.6000D-01, 9.6000D-01, 9.6000D-01, & ! + \n & 9.6000D-01, 9.6000D-01, 9.6000D-01, 9.6000D-01, 9.6000D-01, & ! 7 \n & 9.6000D-01, 9.6000D-01, 9.6000D-01, 9.6000D-01, 1.0000D+00, & ! + \n & 8.5200D-01, 1.0000D+00, 5.7000D-01, 8.4000D-01, 6.8000D-01, & ! 8 \n & 1.0000D+00, 6.6700D-01, 9.6800D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 3.2000D-01, 7.0000D-01, 6.2000D-01, 9.0000D-01, 4.9000D-01, & ! 9 \n & 8.0000D-02, 6.0000D-01, 6.5000D-01, 2.0000D-02, 1.0000D+00, & ! + \n & 6.1300D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! O \n & 9.8200D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 2.4700D-01, & ! + \n & 1.0000D+00, 1.0000D+00, 2.0000D+00, 5.0000D-01, 0.0000D+00, & ! 1 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 2 \n & 7.2000D-01, 7.2000D-01, 7.2000D-01, 7.2000D-01, 7.2000D-01, & ! + \n & 7.2000D-01, 7.4000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 3 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 4 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.4000D-01, 1.4000D-01, & ! 5 \n & 1.4000D-01, 1.4000D-01, 1.4000D-01, 1.0000D+00, 1.2000D-01, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 6 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 8.4000D-01, & ! 7 \n & 5.9500D-02, 1.0000D-04, 1.0000D+00, 6.8000D-01, 7.0000D-01, & ! + \n & 8.4000D-01, 5.9500D-02, 1.0000D-04, 1.0000D+00, 6.8000D-01, & ! 8 \n & 7.0000D-01, 8.4000D-01, 5.9500D-02, 5.9500D-02, 1.0000D+00, & ! + \n & 6.8000D-01, 7.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 9 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! O \n & 1.0000D+00, 1.0000D+00, 1.0000D+00/ ! + \n\n DATA ( SC( IRXXN, 2 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! O \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 8.0000D-01, 0.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 1 \n & 7.8400D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 5.0000D-01, & ! + \n & 1.0000D+00, 6.6000D-01, 3.0000D-01, 0.0000D+00, 1.0000D+00, & ! 2 \n & 2.0000D+00, 1.0000D+00, 2.5000D-01, 2.5000D-01, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 3 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 7.0000D-01, 0.0000D+00, & ! 6 \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 2.8100D-05, 1.3400D-03, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 3.5000D-01, 5.3000D-01, 1.8000D-01, & ! 8 \n & 1.7000D-01, 1.8000D-01, 0.0000D+00, 2.5000D-02, 5.5000D-02, & ! + \n & 7.7000D-01, 3.0000D-01, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 4.3000D-01, & ! + \n & 0.0000D+00, 6.8700D-01, 2.0000D+00, 1.0000D+00, 3.3000D-01, & ! O \n & 3.3000D-01, 2.1000D-01, 0.0000D+00, 6.1900D-01, 5.8400D-01, & ! + \n & 0.0000D+00, 1.0000D+00, 1.0000D+00, 7.1900D-01, 1.0000D+00, & ! 1 \n & 6.5000D-01, 4.4000D-01, 4.4000D-01, 4.4000D-01, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 3.6000D-01, 6.5000D-01, 1.0000D+00, & ! 2 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, & ! + \n & 7.0000D-02, 1.5000D-01, 3.2000D-01, 7.0000D-02, 2.5000D-01, & ! 3 \n & 9.0000D-01, 8.4000D-01, 6.7000D-01, 0.0000D+00, 1.4000D-01, & ! + \n & 1.1000D-01, 7.2000D-02, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 4 \n & 0.0000D+00, 2.0000D-01, 5.7000D-01, 8.9000D-01, 0.0000D+00, & ! + \n & 2.5000D-02, 5.5000D-02, 0.0000D+00, 1.0000D+00, 1.0000D+00, & ! 5 \n & 1.0000D+00, 3.2000D-01, 1.0000D+00, 2.0000D+00, 1.0000D+00, & ! + \n & 3.3900D-01, 3.2000D-01, 1.0000D+00, 1.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.3100D-01, & ! 7 \n & 5.1000D-02, 1.0000D+00, 9.7000D-01, 9.5000D-01, 1.2000D-03, & ! + \n & 1.3000D-03, 1.3000D-03, 1.3000D-03, 8.8000D-01, 8.2000D-01, & ! 8 \n & 8.2000D-01, 1.0000D+00, 8.2000D-01, 7.7000D-01, 7.7000D-01, & ! + \n & 1.0000D+00, 7.7000D-01, 9.5000D-01, 9.4000D-01, 1.0000D+00, & ! 9 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 2.3000D-01, 3.5000D-01, & ! + \n & 5.0000D-01, 7.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! O \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 2.8700D-01, & ! + \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 3.9790D-01, 2.8050D-01, 6.7470D-01, & ! 2 \n & 6.3410D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 4.4000D-01, 4.4000D-01, 1.5000D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.3700D+00, & ! 5 \n & 7.5000D-01, 8.0000D-02, 1.8000D-02, 1.9500D+00, 1.5000D+00, & ! + \n & 7.5000D-01, 1.3700D+00, 1.2846D+00, 1.3218D+00, 1.2846D+00, & ! 6 \n & 1.3100D+00, 6.8000D-01, 7.5000D-01, 8.6000D-01, 7.5000D-01, & ! + \n & 1.0000D+00, 7.5000D-01, 6.8000D-01, 7.5000D-01, 9.0000D-01, & ! 7 \n & 9.0000D-01, 5.0000D-01, 1.0000D+00, 7.5000D-01, 2.6900D-01, & ! + \n & 1.0000D+00, 1.1600D+00, 3.0500D-01, 1.0000D+00, 1.0000D+00, & ! 8 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 5.0000D-01, & ! + \n & 7.0000D-01, 1.0000D+00, 5.0000D-01, 5.8000D-01, 5.1800D-01, & ! 9 \n & 5.0000D-01, 5.0000D-01, 5.0000D-01, 1.0000D+00, 9.1460D-01, & ! + \n & 9.5180D-01, 9.1460D-01, 5.0000D-01, 7.0000D-01, 5.0000D-01, & ! O \n & 1.4000D-01, 5.0000D-01, 7.0000D-01, 5.0000D-01, 7.0000D-01, & ! + \n & 5.0000D-01, 0.0000D+00, 1.0000D+00, 5.0000D-01, 5.0000D-01, & ! 1 \n & 5.0000D-01, 5.0000D-01, 5.0000D-01, 5.0000D-01, 5.0000D-01, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 2 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.4000D-01, 5.5000D-02, 1.0000D+00, & ! 3 \n & 7.9000D-01, 7.2000D-01, 1.0000D+00, 9.1460D-01, 9.5180D-01, & ! + \n & 9.1460D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 4 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 5.3800D-01, & ! + \n & 1.0000D+00, 7.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 5 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 2.8700D-01, & ! + \n & 1.0000D+00, 2.0000D+00, 5.0000D-01, 5.0400D-01, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 4.8000D-01, 4.8000D-01, 4.8000D-01, & ! + \n & 4.8000D-01, 4.8000D-01, 4.8000D-01, 4.8000D-01, 4.8000D-01, & ! 7 \n & 4.8000D-01, 4.8000D-01, 4.8000D-01, 4.8000D-01, 0.0000D+00, & ! + \n & 1.4900D-01, 1.0100D-03, 4.3000D-01, 5.6000D-01, 3.2000D-01, & ! 8 \n & 4.7700D-01, 3.3300D-01, 9.6800D-01, 1.0000D+00, 0.0000D+00, & ! + \n & 1.1430D+00, 3.0000D-01, 6.3000D-01, 1.0000D-01, 4.9000D-01, & ! 9 \n & 9.2000D-01, 4.0000D-01, 3.1000D-01, 1.0000D+00, 8.0000D-01, & ! + \n & 3.8700D-01, 0.0000D+00, 0.0000D+00, 2.0000D+00, 2.0000D+00, & ! O \n & 1.8000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 7.5300D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 5.0000D-01, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 2.8000D-01, 2.8000D-01, 2.8000D-01, 2.8000D-01, 2.8000D-01, & ! + \n & 2.8000D-01, 2.6000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 3 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 8.6000D-01, 8.6000D-01, & ! 5 \n & 8.6000D-01, 8.6000D-01, 8.6000D-01, 8.6000D-01, 8.8000D-01, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 6 \n & 1.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.6000D-01, & ! 7 \n & 9.0480D-01, 1.8000D-03, 9.4050D-01, 1.3105D+00, 9.4050D-01, & ! + \n & 1.6000D-01, 9.0480D-01, 1.8000D-03, 9.4050D-01, 1.3105D+00, & ! 8 \n & 9.4050D-01, 1.6000D-01, 9.0480D-01, 1.8000D-03, 9.4050D-01, & ! + \n & 1.3105D+00, 9.4050D-01, 8.5400D-02, 4.6400D-01, 1.0410D-01, & ! 9 \n & 2.0360D-01, 2.7920D-01, 7.4000D-03, 2.8220D-01, 6.5900D-02, & ! + \n & 1.7780D-01, 2.3000D-03, 4.4500D-02, 3.1700D-02, 1.1700D-02, & ! O \n & 1.0300D-02, 6.1000D-03, 1.1880D-01/ ! + \n\n DATA ( SC( IRXXN, 3 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 8.0000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 1.2200D+00, 1.0000D+00, 1.0000D+00, 9.0000D-01, 5.0000D-01, & ! + \n & 1.0000D+00, 6.7000D-01, 7.0000D-01, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 1.0000D+00, 2.0000D-01, 2.0000D-01, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, & ! 3 \n & 2.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.0000D-01, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 3.5000D-01, 5.3000D-01, 1.8000D-01, & ! 8 \n & 1.7000D-01, 1.8000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.0000D-01, & ! O \n & 1.3000D-01, 1.1000D-01, 0.0000D+00, 1.7000D-01, 1.6000D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.8400D-01, 0.0000D+00, & ! 1 \n & 3.5000D-01, 7.0000D-02, 7.0000D-02, 7.0000D-02, 9.0400D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.5000D-01, 1.0000D+00, & ! 2 \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, & ! + \n & 7.0000D-02, 4.3000D-01, 8.0000D-02, 3.2000D-01, 8.0000D-02, & ! 3 \n & 5.0000D-02, 1.1000D-01, 7.9000D-01, 0.0000D+00, 1.0000D-01, & ! + \n & 2.8000D-01, 8.0000D-03, 6.0000D-01, 6.0000D-01, 1.5000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 6.8000D-01, 6.6800D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 8.5000D-01, 8.0000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, 4.8000D-02, & ! 7 \n & 2.3100D-01, 1.6000D+00, 7.8000D-01, 8.1000D-01, 8.0000D-04, & ! + \n & 6.0000D-04, 6.0000D-04, 6.0000D-04, 2.0000D-01, 8.2000D-01, & ! 8 \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 4.9000D-01, 1.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 5.0000D-02, 6.0000D-02, 0.0000D+00, & ! 9 \n & 0.0000D+00, 1.0000D+00, 3.3000D-01, 1.6000D-01, 1.0000D+00, & ! + \n & 5.0000D-01, 7.0000D-01, 6.1000D-01, 0.0000D+00, 0.0000D+00, & ! O \n & 3.2000D-01, 0.0000D+00, 1.0000D+00, 1.0000D+00, 1.2400D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.7710D-01, & ! 2 \n & 2.8050D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 1.5000D-01, 1.5000D-01, 1.5000D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 6.3000D-01, & ! 5 \n & 7.5000D-01, 2.6000D-02, 1.4000D-01, 1.5000D-01, 7.0500D-01, & ! + \n & 1.2800D+00, 3.2000D-01, 3.2000D-01, 3.2000D-01, 3.2000D-01, & ! 6 \n & 1.5900D-01, 6.0000D-01, 2.5000D-01, 6.8000D-01, 2.5000D-01, & ! + \n & 4.2000D-01, 2.5000D-01, 7.0000D-01, 7.5000D-01, 1.0000D+00, & ! 7 \n & 1.0000D+00, 1.5000D+00, 3.3400D-01, 5.0000D-01, 5.0000D-01, & ! + \n & 1.5000D+00, 1.1600D+00, 7.7300D-01, 1.0000D+00, 1.0000D+00, & ! 8 \n & 3.2000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 9.6500D-01, & ! + \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 2.6000D-02, 1.4000D-01, & ! 9 \n & 1.6000D+00, 1.0000D+00, 1.7100D+00, 3.0000D-01, 3.0000D-01, & ! + \n & 3.0000D-01, 3.0000D-01, 1.0480D+00, 6.0000D-01, 5.0000D-01, & ! O \n & 8.6000D-01, 5.0000D-01, 4.2000D-01, 5.0000D-01, 3.0000D-01, & ! + \n & 5.0000D-01, 0.0000D+00, 0.0000D+00, 1.0000D+00, 3.3000D-01, & ! 1 \n & 5.0000D-01, 2.6900D-01, 1.0000D+00, 1.1600D+00, 5.0000D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 3.2000D-01, 1.0000D+00, 0.0000D+00, & ! 2 \n & 1.0000D+00, 2.8700D-01, 7.0000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 9.2000D-02, 2.8000D-01, 1.6000D+00, & ! 3 \n & 7.9000D-01, 1.1000D-01, 0.0000D+00, 8.5400D-02, 4.8200D-02, & ! + \n & 8.5400D-02, 7.5000D-01, 1.0000D+00, 3.8500D-01, 0.0000D+00, & ! 4 \n & 0.0000D+00, 1.0000D+00, 3.3000D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 7.0000D-01, 6.1000D-01, 0.0000D+00, 0.0000D+00, & ! 5 \n & 3.2000D-01, 0.0000D+00, 1.0000D+00, 1.0000D+00, 1.2400D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 2.0200D-01, 1.2100D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 4.8000D-01, 4.8000D-01, 4.8000D-01, & ! + \n & 4.8000D-01, 4.8000D-01, 4.8000D-01, 4.8000D-01, 4.8000D-01, & ! 7 \n & 4.8000D-01, 4.8000D-01, 4.8000D-01, 4.8000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.8000D-01, 6.8000D-01, & ! 8 \n & 2.5000D-01, 3.3300D-01, 8.9500D-01, 9.2500D-01, 0.0000D+00, & ! + \n & 8.7000D-01, 8.0000D-01, 4.2000D-01, 9.0000D-01, 5.1000D-01, & ! 9 \n & 9.2000D-01, 4.0000D-01, 6.6000D-01, 0.0000D+00, 2.0000D-01, & ! + \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 7.5300D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 7.2000D-01, 7.2000D-01, 7.2000D-01, 7.2000D-01, 7.2000D-01, & ! + \n & 7.2000D-01, 7.4000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 8.6000D-01, 8.6000D-01, & ! 5 \n & 8.6000D-01, 8.6000D-01, 8.6000D-01, 8.6000D-01, 8.8000D-01, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 6 \n & 1.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.6000D-01, & ! 7 \n & 3.5700D-02, 1.0000D-04, 5.9500D-02, 3.2000D-01, 3.0000D-01, & ! + \n & 1.6000D-01, 3.5700D-02, 1.0000D-04, 5.9500D-02, 3.2000D-01, & ! 8 \n & 3.0000D-01, 1.6000D-01, 3.5700D-02, 1.0000D-04, 5.9500D-02, & ! + \n & 3.2000D-01, 3.0000D-01, 2.5810D-01, 1.9770D-01, 5.6380D-01, & ! 9 \n & 7.1000D-03, 4.0250D-01, 1.1900D-01, 1.1650D-01, 4.5790D-01, & ! + \n & 1.9240D-01, 1.3400D-01, 1.7260D-01, 7.6500D-02, 1.6700D-02, & ! O \n & 6.0000D-04, 4.9000D-03, 8.0000D-04/ ! + \n\n DATA ( SC( IRXXN, 4 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.0000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 3.5000D-01, 0.0000D+00, 0.0000D+00, 1.0000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 3.3000D-01, 7.0000D-01, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 8.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 6.5000D-01, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 7.8000D-01, & ! O \n & 1.0000D-01, 2.7000D-01, 0.0000D+00, 5.9000D-02, 5.6000D-02, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 8.0000D-02, 8.0000D-02, 8.0000D-02, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.5000D-01, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 6.0000D-02, 7.0000D-02, 1.0000D-01, & ! 3 \n & 5.0000D-02, 5.0000D-02, 3.3000D-01, 0.0000D+00, 2.2000D-01, & ! + \n & 1.0000D-02, 2.0000D-03, 6.0000D-01, 6.0000D-01, 4.8000D-01, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 6.8000D-01, 3.3200D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 4.2400D-01, 4.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 8.9000D-02, & ! 7 \n & 2.3500D-01, 2.0000D-01, 1.2000D-02, 6.8000D-01, 9.9800D-01, & ! + \n & 9.9800D-01, 9.9800D-01, 9.9800D-01, 2.8000D-01, 1.8000D-01, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.8000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 9.5000D-01, 9.4000D-01, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 6.7000D-01, 1.0000D+00, 6.5000D-01, & ! + \n & 1.0000D+00, 1.0000D+00, 3.0000D-02, 0.0000D+00, 0.0000D+00, & ! O \n & 6.8000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.6400D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 4.1000D-01, 4.1000D-01, 8.5000D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 2.5000D-01, 2.6000D-02, 1.9100D-01, 2.5000D-01, 4.5000D-02, & ! + \n & 2.1800D-01, 0.0000D+00, 8.5400D-02, 4.8200D-02, 8.5400D-02, & ! 6 \n & 2.5000D-01, 7.0000D-02, 1.0000D+00, 8.6000D-01, 7.5000D-01, & ! + \n & 3.0000D-01, 1.0000D+00, 7.0000D-01, 2.5000D-01, 1.0000D-01, & ! 7 \n & 1.0000D-01, 2.5000D-01, 2.5000D-01, 2.5000D-01, 1.6600D+00, & ! + \n & 5.0000D-01, 1.5000D+00, 2.0300D-01, 0.0000D+00, 0.0000D+00, & ! 8 \n & 6.8000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 9.3000D-01, & ! + \n & 7.0000D-01, 0.0000D+00, 5.0000D-01, 2.6000D-02, 1.9100D-01, & ! 9 \n & 2.0000D-01, 9.4000D-01, 2.9000D-01, 0.0000D+00, 8.5400D-02, & ! + \n & 4.8200D-02, 8.5400D-02, 2.1900D-01, 3.0000D-01, 1.0000D+00, & ! O \n & 7.0000D-01, 1.0000D+00, 3.0000D-01, 1.0000D+00, 7.0000D-01, & ! + \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 7.5000D-01, 3.3400D-01, & ! 1 \n & 5.0000D-01, 5.0000D-01, 5.0000D-01, 1.1600D+00, 3.0000D-02, & ! + \n & 0.0000D+00, 0.0000D+00, 6.8000D-01, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 1.2400D+00, 7.0000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 5.0300D-01, 4.8500D-01, 2.0000D-01, & ! 3 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 5.4880D-01, 7.0430D-01, & ! + \n & 5.4880D-01, 3.1800D-01, 1.0000D+00, 3.8500D-01, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 6.7000D-01, 0.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 3.0000D-02, 0.0000D+00, 0.0000D+00, & ! 5 \n & 6.8000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.6400D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 6.4000D-01, 2.8500D-01, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 4.8000D-01, 4.8000D-01, 4.8000D-01, & ! + \n & 4.8000D-01, 4.8000D-01, 4.8000D-01, 4.8000D-01, 4.8000D-01, & ! 7 \n & 4.8000D-01, 4.8000D-01, 4.8000D-01, 4.8000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 7.2000D-01, 6.8000D-01, & ! 8 \n & 3.5400D-01, 0.0000D+00, 8.9500D-01, 9.2500D-01, 0.0000D+00, & ! + \n & 4.6300D-01, 7.4000D-01, 8.0000D-02, 0.0000D+00, 0.0000D+00, & ! 9 \n & 7.5000D-01, 3.2000D-01, 3.4000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 8.6000D-01, 8.6000D-01, & ! 5 \n & 8.6000D-01, 8.6000D-01, 8.6000D-01, 0.0000D+00, 8.8000D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 9.9800D-01, 4.7020D-01, 5.9500D-02, 5.9500D-02, & ! + \n & 0.0000D+00, 0.0000D+00, 9.9800D-01, 4.7020D-01, 5.9500D-02, & ! 8 \n & 5.9500D-02, 0.0000D+00, 0.0000D+00, 9.9800D-01, 4.7020D-01, & ! + \n & 5.9500D-02, 5.9500D-02, 2.5810D-01, 1.2100D-02, 2.1410D-01, & ! 9 \n & 1.8400D-01, 8.8000D-03, 7.2610D-01, 3.2000D-02, 1.1560D-01, & ! + \n & 4.0000D-04, 3.3490D-01, 1.0400D-02, 9.0000D-04, 4.8000D-02, & ! O \n & 9.0000D-03, 2.2400D-02, 3.9000D-02/ ! + \n\n DATA ( SC( IRXXN, 5 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 4.3400D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 3.4000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 5.0000D-01, 5.0000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 3.5000D-01, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D-01, & ! O \n & 1.0000D-02, 1.0000D-02, 0.0000D+00, 6.1900D-01, 5.8400D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 4.1000D-01, 4.1000D-01, 4.1000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 3.7000D-01, 4.0000D-02, 4.0000D-02, 1.0000D-01, & ! 3 \n & 5.0000D-02, 5.0000D-02, 4.0000D-02, 0.0000D+00, 5.0000D-01, & ! + \n & 5.6000D-01, 1.0000D-01, 1.5000D+00, 1.5000D+00, 7.0000D-01, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 3.2000D-01, 3.3200D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 4.2400D-01, 4.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 9.3500D-01, & ! 7 \n & 8.6400D-01, 0.0000D+00, 4.4000D-01, 2.0000D-01, 9.9800D-01, & ! + \n & 9.9800D-01, 9.9800D-01, 9.9800D-01, 4.4000D-01, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.8000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 9.5000D-01, 9.4000D-01, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.6000D-01, 6.5000D-01, & ! + \n & 0.0000D+00, 3.0000D-01, 2.7000D-01, 0.0000D+00, 0.0000D+00, & ! O \n & 6.8000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 2.5000D-01, 8.2700D-01, 7.7700D-01, 2.5000D-01, 2.5000D-01, & ! + \n & 2.5000D-01, 1.0000D+00, 5.4880D-01, 7.0430D-01, 5.4880D-01, & ! 6 \n & 2.5000D-01, 3.2000D-01, 0.0000D+00, 3.2000D-01, 1.0000D+00, & ! + \n & 3.2000D-01, 0.0000D+00, 3.2000D-01, 1.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 2.5000D-01, 2.5000D-01, 2.5000D-01, 6.7000D-02, & ! + \n & 2.5000D-01, 1.7500D+00, 5.2500D-01, 0.0000D+00, 0.0000D+00, & ! 8 \n & 6.8000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.4800D-01, & ! + \n & 7.0000D-01, 0.0000D+00, 0.0000D+00, 1.3000D-01, 4.2000D-02, & ! 9 \n & 5.0000D-01, 6.0000D-02, 5.0000D-01, 1.0000D+00, 5.4880D-01, & ! + \n & 7.0430D-01, 5.4880D-01, 3.0500D-01, 7.0000D-02, 0.0000D+00, & ! O \n & 3.0000D-01, 0.0000D+00, 3.0000D-01, 0.0000D+00, 3.0000D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 5.0000D-01, & ! 1 \n & 0.0000D+00, 1.0000D+00, 5.0000D-01, 1.0000D+00, 2.7000D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 6.8000D-01, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 4.6400D-01, 7.0000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, & ! 3 \n & 1.8000D-01, 2.0000D-01, 5.0000D-01, 3.6590D-01, 2.4750D-01, & ! + \n & 3.6590D-01, 5.0000D-01, 0.0000D+00, 6.1500D-01, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 3.0000D-01, 2.7000D-01, 0.0000D+00, 0.0000D+00, & ! 5 \n & 6.8000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.4900D-01, 1.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 4.8000D-01, 4.8000D-01, 4.8000D-01, & ! + \n & 4.8000D-01, 4.8000D-01, 4.8000D-01, 4.8000D-01, 4.8000D-01, & ! 7 \n & 4.8000D-01, 4.8000D-01, 4.8000D-01, 4.8000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 6.2000D-01, 3.2000D-01, & ! 8 \n & 2.0400D-01, 0.0000D+00, 7.2000D-02, 7.5000D-02, 0.0000D+00, & ! + \n & 2.5000D-01, 7.4000D-01, 8.3000D-01, 0.0000D+00, 0.0000D+00, & ! 9 \n & 1.7000D-01, 8.0000D-02, 4.3000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 9.9800D-01, 4.7020D-01, 4.7020D-01, 4.7020D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 9.9800D-01, 4.7020D-01, 4.7020D-01, & ! 8 \n & 4.7020D-01, 0.0000D+00, 0.0000D+00, 9.9800D-01, 4.7020D-01, & ! + \n & 4.7020D-01, 4.7020D-01, 2.5810D-01, 1.5200D-02, 1.5300D-02, & ! 9 \n & 1.8400D-01, 3.1900D-02, 1.2200D-02, 1.8300D-02, 3.2500D-02, & ! + \n & 7.4000D-02, 8.0000D-03, 5.1300D-02, 5.2600D-02, 2.4600D-02, & ! O \n & 1.4600D-02, 5.0300D-02, 1.1400D-02/ ! + \n\n DATA ( SC( IRXXN, 6 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 2.1600D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 6.7000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 5.0000D-01, 5.0000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D-02, & ! O \n & 7.8000D-01, 7.9000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 2.0000D-02, 9.0000D-02, 9.0000D-02, & ! 3 \n & 1.4000D-01, 1.4000D-01, 2.0000D-01, 0.0000D+00, 4.5000D-01, & ! + \n & 1.0000D-01, 2.4300D-01, 5.0000D-02, 5.0000D-02, 2.5000D-01, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 6.8000D-01, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 5.0400D-01, & ! 7 \n & 1.8000D-02, 0.0000D+00, 6.0000D-02, 9.0000D-02, 0.0000D+00, & ! + \n & 8.5200D-02, 4.8100D-02, 8.5200D-02, 1.2000D-01, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.3000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 5.4000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 7.0000D-01, 1.8000D-01, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 1.9800D-01, 2.5100D-01, 0.0000D+00, 2.5000D-01, & ! + \n & 2.5000D-01, 5.0000D-01, 3.6590D-01, 2.4750D-01, 3.6590D-01, & ! 6 \n & 2.5000D-01, 2.5000D-01, 0.0000D+00, 1.4000D-01, 0.0000D+00, & ! + \n & 2.7000D-01, 0.0000D+00, 3.0000D-01, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 1.2500D-01, 0.0000D+00, 0.0000D+00, 2.5000D-01, & ! + \n & 2.5000D-01, 5.0000D-01, 1.3500D-01, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.5000D-01, & ! + \n & 3.0000D-01, 0.0000D+00, 0.0000D+00, 2.7300D-01, 3.8100D-01, & ! 9 \n & 0.0000D+00, 5.0000D-01, 0.0000D+00, 5.0000D-01, 3.6590D-01, & ! + \n & 2.4750D-01, 3.6590D-01, 5.0000D-01, 2.5000D-01, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 3.2000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 5.0000D-01, 2.3000D+00, 7.0000D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 5.0000D-01, 3.0000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 5.1900D-01, 2.4000D-02, 0.0000D+00, & ! 3 \n & 2.0000D-02, 8.5000D-01, 2.5000D-01, 3.6590D-01, 3.5220D-01, & ! + \n & 4.5730D-01, 2.4000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 7.0000D-01, 7.0000D-01, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.5000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 4.0000D-02, 4.0000D-02, 4.8000D-01, & ! + \n & 4.0000D-02, 4.0000D-02, 4.8000D-01, 4.0000D-02, 4.0000D-02, & ! 7 \n & 4.8000D-01, 4.0000D-02, 4.0000D-02, 4.8000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 6.8000D-01, & ! 8 \n & 1.5000D-01, 0.0000D+00, 3.2000D-02, 0.0000D+00, 0.0000D+00, & ! + \n & 2.3100D-01, 1.8500D-01, 1.7000D-01, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 4.0000D-02, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 5.9400D-02, 4.7020D-01, 4.7020D-01, 4.7020D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 5.9400D-02, 4.7020D-01, 4.7020D-01, & ! 8 \n & 4.7020D-01, 0.0000D+00, 0.0000D+00, 4.6930D-01, 4.7020D-01, & ! + \n & 4.7020D-01, 4.7020D-01, 2.5810D-01, 6.2400D-02, 2.9800D-02, & ! 9 \n & 1.8400D-01, 7.6000D-03, 3.0500D-02, 1.1000D-03, 6.5700D-02, & ! + \n & 4.5200D-02, 1.1930D-01, 1.1180D-01, 4.8900D-02, 8.8100D-02, & ! O \n & 7.0200D-02, 2.2000D-03, 2.2660D-01/ ! + \n\n DATA ( SC( IRXXN, 7 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 6.7000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 6.8000D-02, 3.7000D-01, 1.4000D-01, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 5.4000D-01, 8.0000D-02, 5.0000D-02, 5.0000D-02, 2.5000D-01, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.3200D-01, & ! 7 \n & 4.5000D-02, 0.0000D+00, 1.3000D-01, 2.0000D-02, 9.9800D-01, & ! + \n & 5.4770D-01, 7.0290D-01, 5.4770D-01, 2.1000D-02, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 3.0000D-01, 7.0000D-01, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 4.9700D-01, 6.1800D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 2.5000D-01, 3.6590D-01, 3.5220D-01, 4.5730D-01, & ! 6 \n & 2.3000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.5000D-01, & ! + \n & 0.0000D+00, 2.5000D-01, 1.0500D-01, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.5000D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 6.6200D-01, 8.2400D-01, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.5000D-01, 3.6590D-01, & ! + \n & 3.5220D-01, 4.5730D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 2.7000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 5.0000D-01, 1.8000D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.4700D-01, 2.4100D-01, 0.0000D+00, & ! 3 \n & 9.0000D-02, 4.0000D-02, 2.5000D-01, 5.4880D-01, 5.9960D-01, & ! + \n & 4.5730D-01, 3.3000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 3.0000D-01, 1.8000D-01, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.0000D-02, & ! + \n & 0.0000D+00, 0.0000D+00, 4.0000D-02, 0.0000D+00, 0.0000D+00, & ! 7 \n & 4.0000D-02, 0.0000D+00, 0.0000D+00, 4.0000D-02, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 2.7000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 3.7000D-02, 6.0000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 4.6930D-01, 4.7020D-01, 4.7020D-01, 4.7020D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 4.6930D-01, 4.7020D-01, 4.7020D-01, & ! 8 \n & 4.7020D-01, 0.0000D+00, 0.0000D+00, 4.6930D-01, 4.7020D-01, & ! + \n & 4.7020D-01, 4.7020D-01, 2.5810D-01, 3.8800D-02, 9.6000D-03, & ! 9 \n & 1.8400D-01, 1.9400D-02, 7.0000D-03, 6.6000D-02, 4.6000D-03, & ! + \n & 6.3100D-02, 7.5800D-02, 1.3000D-03, 1.5500D-01, 9.1600D-02, & ! O \n & 1.5300D-02, 8.7900D-02, 2.2660D-01/ ! + \n\n DATA ( SC( IRXXN, 8 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 4.3000D-01, 2.6000D-02, 5.8000D-01, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 7.0000D-02, 4.2000D-01, 8.0000D-02, 8.0000D-02, 1.1000D-01, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.6500D-01, & ! 7 \n & 2.0300D-01, 0.0000D+00, 3.0000D-02, 5.0000D-02, 4.9900D-01, & ! + \n & 3.6510D-01, 2.4700D-01, 3.6510D-01, 2.9000D-02, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 2.1000D-01, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 5.0000D-02, 2.5000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 2.5000D-01, 5.4880D-01, 5.9960D-01, 4.5730D-01, & ! 6 \n & 1.8000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.5000D-01, & ! + \n & 0.0000D+00, 2.5000D-01, 2.5000D-01, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 5.0000D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 6.7000D-02, 5.0000D-01, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.5000D-01, 5.4880D-01, & ! + \n & 5.9960D-01, 4.5730D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0830D+00, 1.0500D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 7.5000D-02, 6.0000D-02, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 3.1000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 2.1000D-01, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 1.9000D-02, 1.5000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 4.6930D-01, 0.0000D+00, 4.7020D-01, 4.7020D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 4.6930D-01, 0.0000D+00, 4.7020D-01, & ! 8 \n & 4.7020D-01, 0.0000D+00, 0.0000D+00, 4.6930D-01, 0.0000D+00, & ! + \n & 4.7020D-01, 4.7020D-01, 2.5810D-01, 4.9100D-02, 1.8900D-02, & ! 9 \n & 1.8400D-01, 1.0400D-02, 2.9100D-02, 5.3500D-02, 3.0700D-02, & ! + \n & 7.0000D-04, 2.9200D-02, 1.3370D-01, 1.5500D-02, 7.3000D-03, & ! O \n & 1.0380D-01, 1.3840D-01, 2.2660D-01/ ! + \n\n DATA ( SC( IRXXN, 9 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 2.0000D-02, 1.0000D-02, 4.6100D-01, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 7.0000D-02, 2.8000D-02, 6.5000D-01, 7.0000D-01, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.2000D-02, & ! 7 \n & 3.3000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.4950D-01, & ! + \n & 3.6510D-01, 3.5150D-01, 4.5640D-01, 2.7000D-02, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 2.5000D-01, 2.5000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 1.6000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 2.9200D-01, 2.5000D-01, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 5.0000D-01, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 5.0000D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 9.5000D-02, 6.3000D-02, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 4.6930D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 4.6930D-01, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.6930D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 2.5810D-01, 3.9800D-02, 4.5600D-02, & ! 9 \n & 1.8400D-01, 5.1000D-02, 4.5400D-02, 2.4600D-02, 2.4000D-03, & ! + \n & 6.0000D-04, 7.6600D-02, 4.0300D-02, 1.0510D-01, 9.7200D-02, & ! O \n & 3.1000D-03, 1.4630D-01, 2.2660D-01/ ! + \n\n DATA ( SC( IRXXN, 10 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.5000D-02, 1.0000D-02, 1.8900D-01, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 1.0000D-01, 4.9100D-01, 0.0000D+00, 6.5000D-01, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 6.5000D-02, & ! 7 \n & 2.1700D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.4950D-01, & ! + \n & 5.4770D-01, 5.9840D-01, 4.5640D-01, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 2.5000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.4700D-01, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 4.6930D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 4.6930D-01, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 2.5810D-01, 1.8300D-02, 3.1400D-02, & ! 9 \n & 1.8400D-01, 7.5000D-03, 2.3400D-02, 5.4000D-03, 3.9500D-02, & ! + \n & 2.2700D-02, 2.7700D-02, 5.1100D-02, 1.3000D-03, 4.5600D-02, & ! O \n & 1.6500D-01, 4.3200D-02, 2.2660D-01/ ! + \n\n DATA ( SC( IRXXN, 11 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 6.0000D-03, 9.0000D-02, 2.8000D-01, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 3.0000D-03, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 3.3000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.8000D-02, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.0800D-02, 1.9900D-02, & ! 9 \n & 1.8400D-01, 5.1200D-02, 3.5200D-02, 1.0680D-01, 2.1500D-02, & ! + \n & 5.8500D-02, 1.1800D-02, 6.8000D-03, 5.3500D-02, 2.4000D-03, & ! O \n & 1.5660D-01, 9.5700D-02, 2.2660D-01/ ! + \n\n DATA ( SC( IRXXN, 12 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 3.2000D-02, 4.5700D-01, 1.5300D-01, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 4.4000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 2.7200D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.7500D-01, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.0000D-03, 4.5900D-02, & ! 9 \n & 1.8400D-01, 4.6200D-02, 6.2400D-02, 1.0680D-01, 5.3900D-02, & ! + \n & 6.4900D-02, 6.5100D-02, 2.3600D-02, 8.6000D-03, 4.7900D-02, & ! O \n & 7.2400D-02, 3.1600D-02, 2.2660D-01/ ! + \n\n DATA ( SC( IRXXN, 13 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 5.6000D-01, 7.3000D-01, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 1.3600D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 7.9400D-02, 4.5200D-02, & ! 9 \n & 1.8400D-01, 5.1200D-02, 5.1800D-02, 1.0680D-01, 5.1600D-02, & ! + \n & 1.7400D-02, 7.0900D-02, 2.9300D-02, 4.2600D-02, 7.4500D-02, & ! O \n & 6.2000D-03, 5.8500D-02, 2.2660D-01/ ! + \n\n DATA ( SC( IRXXN, 14 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.0000D-02, 1.1000D-01, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 7.9400D-02, 4.5500D-02, & ! 9 \n & 0.0000D+00, 1.3800D-02, 5.0900D-02, 1.0680D-01, 5.1900D-02, & ! + \n & 1.5400D-02, 6.6800D-02, 7.3300D-02, 5.8200D-02, 6.0700D-02, & ! O \n & 1.3980D-01, 5.7100D-02, 0.0000D+00/ ! + \n\n DATA ( SC( IRXXN, 15 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 4.4000D-01, 1.7000D-02, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 7.9400D-02, 3.2500D-02, & ! 9 \n & 0.0000D+00, 1.3500D-02, 3.4700D-02, 1.0680D-01, 3.7100D-02, & ! + \n & 1.7000D-02, 4.2300D-02, 5.2300D-02, 6.6100D-02, 1.5500D-02, & ! O \n & 2.1600D-02, 5.7100D-02, 0.0000D+00/ ! + \n\n DATA ( SC( IRXXN, 16 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 3.0000D-02, 4.4000D-02, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 7.9400D-02, 3.6900D-02, & ! 9 \n & 0.0000D+00, 6.4600D-02, 7.4800D-02, 1.0680D-01, 4.2100D-02, & ! + \n & 8.1800D-02, 9.1100D-02, 5.9500D-02, 5.0600D-02, 7.8600D-02, & ! O \n & 3.8400D-02, 5.7100D-02, 0.0000D+00/ ! + \n\n DATA ( SC( IRXXN, 17 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 2.0000D-02, 1.7000D-02, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 7.9400D-02, 2.6000D-03, & ! 9 \n & 0.0000D+00, 6.4600D-02, 1.6300D-02, 1.0680D-01, 1.0500D-02, & ! + \n & 8.1800D-02, 6.6000D-03, 4.1000D-03, 1.1400D-02, 7.8600D-02, & ! O \n & 5.2600D-02, 5.7100D-02, 0.0000D+00/ ! + \n\n DATA ( SC( IRXXN, 18 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 6.0000D-02, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 7.9400D-02, 3.9000D-02, & ! 9 \n & 0.0000D+00, 6.4600D-02, 6.2000D-03, 1.0680D-01, 4.4500D-02, & ! + \n & 8.1800D-02, 2.5000D-03, 2.3000D-03, 6.9800D-02, 7.8600D-02, & ! O \n & 5.2600D-02, 5.7100D-02, 0.0000D+00/ ! + \n\n DATA ( SC( IRXXN, 19 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.0000D-02, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 7.9400D-02, 3.9000D-02, & ! 9 \n & 0.0000D+00, 6.4600D-02, 2.4400D-02, 1.0680D-01, 4.4500D-02, & ! + \n & 8.1800D-02, 2.9700D-02, 6.2800D-02, 6.9800D-02, 7.8600D-02, & ! O \n & 5.2600D-02, 5.7100D-02, 0.0000D+00/ ! + \n\n DATA ( SC( IRXXN, 20 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 3.0000D-02, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 7.9400D-02, 3.9000D-02, & ! 9 \n & 0.0000D+00, 6.4600D-02, 2.4400D-02, 1.0680D-01, 4.4500D-02, & ! + \n & 8.1800D-02, 2.9700D-02, 6.2800D-02, 6.9800D-02, 7.8600D-02, & ! O \n & 5.2600D-02, 5.7100D-02, 0.0000D+00/ ! + \n\n DATA ( SC( IRXXN, 21 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 6.0000D-02, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 7.9400D-02, 3.9000D-02, & ! 9 \n & 0.0000D+00, 6.4600D-02, 2.4400D-02, 1.0680D-01, 4.4500D-02, & ! + \n & 8.1800D-02, 2.9700D-02, 6.2800D-02, 6.9800D-02, 7.8600D-02, & ! O \n & 5.2600D-02, 5.7100D-02, 0.0000D+00/ ! + \n\n DATA ( SC( IRXXN, 22 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 7.9400D-02, 3.9000D-02, & ! 9 \n & 0.0000D+00, 6.4600D-02, 2.4400D-02, 0.0000D+00, 4.4500D-02, & ! + \n & 8.1800D-02, 2.9700D-02, 6.2800D-02, 6.9800D-02, 7.8600D-02, & ! O \n & 5.2600D-02, 5.7100D-02, 0.0000D+00/ ! + \n\n DATA ( SC( IRXXN, 23 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 7.9400D-02, 3.9000D-02, & ! 9 \n & 0.0000D+00, 6.4600D-02, 2.4400D-02, 0.0000D+00, 4.4500D-02, & ! + \n & 8.1800D-02, 2.9700D-02, 6.2800D-02, 6.9800D-02, 7.8600D-02, & ! O \n & 5.2600D-02, 1.5440D-01, 0.0000D+00/ ! + \n\n DATA ( SC( IRXXN, 24 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.9000D-02, & ! 9 \n & 0.0000D+00, 6.4600D-02, 2.4400D-02, 0.0000D+00, 4.4500D-02, & ! + \n & 8.1800D-02, 2.9700D-02, 6.2800D-02, 6.9800D-02, 7.8600D-02, & ! O \n & 5.2600D-02, 0.0000D+00, 0.0000D+00/ ! + \n\n DATA ( SC( IRXXN, 25 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.9000D-02, & ! 9 \n & 0.0000D+00, 1.7530D-01, 2.4400D-02, 0.0000D+00, 4.4500D-02, & ! + \n & 2.2200D-01, 2.9700D-02, 6.2800D-02, 6.9800D-02, 1.7300D-01, & ! O \n & 5.2600D-02, 0.0000D+00, 0.0000D+00/ ! + \n\n DATA ( SC( IRXXN, 26 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.9000D-02, & ! 9 \n & 0.0000D+00, 0.0000D+00, 2.4400D-02, 0.0000D+00, 4.4500D-02, & ! + \n & 0.0000D+00, 2.9700D-02, 6.2800D-02, 6.9800D-02, 0.0000D+00, & ! O \n & 1.2800D-01, 0.0000D+00, 0.0000D+00/ ! + \n\n DATA ( SC( IRXXN, 27 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 9.2500D-02, & ! 9 \n & 0.0000D+00, 0.0000D+00, 2.4400D-02, 0.0000D+00, 1.0550D-01, & ! + \n & 0.0000D+00, 2.9700D-02, 6.2800D-02, 1.6560D-01, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00/ ! + \n\n DATA ( SC( IRXXN, 28 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 5.3700D-02, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 6.5400D-02, 1.4890D-01, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00/ ! + \n\n INTEGER :: NREACT( NRXNS )\n\n DATA ( NREACT( IRXXN ), IRXXN = 1, NRXNS ) / & \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! O \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! 1 \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! 2 \n & 1, 1, 1, 1, 1, 1, 1, 1, 2, 2, & ! 3 \n & 2, 2, 1, 2, 1, 1, 1, 1, 2, 2, & ! 4 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 2, 2, 2, 2, 1, 1, & ! 6 \n & 2, 1, 2, 2, 2, 1, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 9 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 1 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 2 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 1, 1, 2, 1, 2, 1, & ! 6 \n & 2, 1, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 9 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 1 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 2 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 9 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 1 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 2 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 1, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 9 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 1, 1, 1, 1, 1, 1, 1, 2, 2, 2, & ! 1 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 2 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 1, 1, 1, 1, & ! 4 \n & 1, 1, 1, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 9 \n & 2, 2, 2, 2, 2, 2, 2, 2/ ! O \n INTEGER :: NPRDCT( NRXNS )\n\n DATA ( NPRDCT( IRXXN ), IRXXN = 1, NRXNS ) / & \n & 1, 1, 1, 2, 1, 2, 2, 2, 4, 1, & ! O \n & 2, 3, 3, 2, 2, 6, 3, 3, 4, 3, & ! 1 \n & 3, 7, 4, 1, 2, 2, 3, 6, 6, 3, & ! 2 \n & 3, 3, 3, 3, 2, 4, 2, 2, 1, 1, & ! 3 \n & 1, 1, 1, 0, 1, 1, 1, 1, 0, 1, & ! 4 \n & 1, 1, 1, 1, 2, 1, 1, 1, 1, 1, & ! 5 \n & 1, 1, 2, 3, 1, 2, 1, 1, 2, 1, & ! 6 \n & 1, 2, 1, 3, 1, 1, 1, 2, 2, 1, & ! 7 \n & 1, 1, 5, 3, 3, 3, 3, 1, 2, 2, & ! 8 \n & 2, 2, 2, 1, 1, 1, 1, 1, 2, 2, & ! 9 \n & 1, 2, 2, 2, 6, 6, 6, 1, 5, 5, & ! O \n & 1, 2, 2, 3, 2, 3, 5, 5, 5, 3, & ! 1 \n & 1, 1, 2, 4, 3, 3, 2, 2, 1, 3, & ! 2 \n & 3, 5, 21, 17, 12, 6, 6, 6, 1, 6, & ! 3 \n & 10, 12, 9, 10, 8, 1, 2, 2, 2, 1, & ! 4 \n & 2, 2, 1, 3, 2, 2, 6, 6, 3, 3, & ! 5 \n & 5, 5, 2, 2, 1, 1, 1, 2, 1, 2, & ! 6 \n & 1, 2, 3, 3, 10, 13, 4, 8, 8, 10, & ! 7 \n & 10, 10, 10, 9, 4, 3, 2, 3, 6, 3, & ! 8 \n & 2, 3, 5, 5, 2, 2, 3, 4, 6, 5, & ! 9 \n & 4, 7, 8, 2, 2, 5, 2, 3, 3, 4, & ! O \n & 3, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! 1 \n & 1, 1, 2, 2, 3, 3, 1, 1, 1, 1, & ! 2 \n & 1, 1, 1, 1, 1, 1, 1, 4, 4, 4, & ! 3 \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! 4 \n & 1, 1, 1, 1, 3, 5, 10, 9, 5, 6, & ! 5 \n & 6, 8, 8, 8, 8, 9, 6, 4, 6, 5, & ! 6 \n & 6, 4, 6, 5, 4, 4, 6, 5, 5, 8, & ! 7 \n & 6, 9, 9, 3, 3, 5, 3, 3, 3, 8, & ! 8 \n & 6, 2, 4, 9, 8, 5, 6, 5, 8, 8, & ! 9 \n & 8, 8, 6, 6, 4, 5, 4, 7, 4, 5, & ! O \n & 4, 1, 2, 4, 5, 4, 5, 6, 8, 9, & ! 1 \n & 2, 2, 5, 3, 2, 3, 6, 6, 1, 1, & ! 2 \n & 3, 3, 9, 12, 4, 7, 7, 7, 7, 7, & ! 3 \n & 7, 8, 4, 5, 2, 2, 3, 4, 3, 4, & ! 4 \n & 4, 7, 8, 2, 2, 5, 2, 3, 3, 4, & ! 5 \n & 3, 2, 6, 5, 1, 1, 0, 6, 6, 7, & ! 6 \n & 6, 6, 7, 6, 6, 7, 6, 6, 7, 1, & ! 7 \n & 2, 2, 2, 5, 6, 7, 3, 6, 5, 1, & ! 8 \n & 8, 8, 6, 3, 3, 5, 5, 6, 2, 3, & ! 9 \n & 3, 1, 1, 2, 2, 2, 1, 1, 1, 3, & ! O \n & 1, 1, 1, 2, 0, 1, 1, 1, 1, 1, & ! 1 \n & 1, 1, 1, 1, 1, 3, 3, 3, 3, 3, & ! 2 \n & 3, 3, 2, 2, 2, 2, 2, 2, 2, 1, & ! 3 \n & 1, 1, 1, 1, 1, 1, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 4, 4, 4, 4, 4, 3, 4, & ! 5 \n & 3, 3, 3, 3, 3, 3, 3, 1, 1, 1, & ! 6 \n & 1, 1, 1, 1, 3, 3, 10, 7, 8, 8, & ! 7 \n & 3, 3, 10, 7, 8, 8, 3, 3, 9, 7, & ! 8 \n & 8, 8, 10, 23, 27, 13, 25, 28, 21, 27, & ! 9 \n & 25, 28, 28, 27, 25, 26, 23, 13/ ! O \n\n INTEGER, PARAMETER :: MHETERO = 7\n INTEGER :: IHETERO( MHETERO,2 )\n\n DATA ( IHETERO( IRXXN,1 ), IRXXN = 1, MHETERO ) / & \n & 411, 412, 413, 414, 416, 417, 418/\n\n DATA ( IHETERO( IRXXN,2 ), IRXXN = 1, MHETERO ) / & \n & 1, 2, 3, 4, 5, 6, 7/\n\n INTEGER, PARAMETER :: NPHOTAB = 32\n CHARACTER( 16 ) :: PHOTAB( NPHOTAB )\n\n DATA ( PHOTAB( IRXXN ), IRXXN = 1, NPHOTAB ) / & \n & 'O3O3P_NASA06 ', 'O3O1D_NASA06 ', 'H2O2_RACM2 ', & \n & 'NO2_RACM2 ', 'NO3NO_RACM2 ', 'NO3NO2_RACM2 ', & \n & 'HONO_RACM2 ', 'HNO3_RACM2 ', 'HNO4_RACM2 ', & \n & 'HCHO_MOL_JPL19 ', 'HCHO_RAD_JPL19 ', 'CH3CHO_RACM2 ', & \n & 'ALD_JPL19 ', 'CH3COCH3A_JPL19 ', 'CH3COCH3B_JPL19 ', & \n & 'UALD_RACM2 ', 'MEK_JGR19 ', 'KET_JGR19 ', & \n & 'HKET_RACM2 ', 'MACR_RACM2 ', 'MVK_RACM2 ', & \n & 'GLYH2_RACM2 ', 'GLYF_RACM2 ', 'GLYHX_RACM2 ', & \n & 'MGLY_RACM2 ', 'BALD_RACM2 ', 'OP1_RACM2 ', & \n & 'PAA_RACM2 ', 'ONIT_RACM2 ', 'PAN1_RACM2 ', & \n & 'PAN2_RACM2 ', 'ACRO_09 '/\n\n INTEGER, PARAMETER :: NHETERO = 7\n CHARACTER( 16 ) :: HETERO( NHETERO )\n\n DATA ( HETERO( IRXXN ), IRXXN = 1, NHETERO ) / & \n & 'HETERO_GLY ', 'HETERO_MGLY ', 'HETERO_N2O5IJ ', &\n & 'HETERO_NO2 ', 'HETERO_IEPOX ', 'HETERO_ISO3NOSJ ', &\n & 'HETERO_ISO3OSJ '/\n\n CHARACTER( 16 ) :: RXLABEL( NRXNS )\n\n DATA ( RXLABEL( IRXXN ), IRXXN = 1, NRXNS ) / & \n & 'R001 ', 'R002 ', 'R003 ', & ! 0 \n & 'R004 ', 'R005 ', 'R006 ', & ! 1 \n & 'R007 ', 'R008 ', 'R009 ', & ! 2 \n & 'R010 ', 'R011 ', 'R012 ', & ! 3 \n & 'R013 ', 'R014 ', 'R014a ', & ! 4 \n & 'R015 ', 'TRP01 ', 'TRP02 ', & ! 5 \n & 'R016 ', 'R017 ', 'R018 ', & ! 6 \n & 'R019 ', 'R020 ', 'R021 ', & ! 7 \n & 'R022 ', 'R023 ', 'R024 ', & ! 8 \n & 'R025 ', 'R026 ', 'R027 ', & ! 9 \n & 'R028 ', 'R029 ', 'TRP03 ', & ! 0 \n & 'R029a ', 'R030 ', 'R031 ', & ! 1 \n & 'R032 ', 'R033 ', 'R034 ', & ! 2 \n & 'R035 ', 'R036 ', 'R037 ', & ! 3 \n & 'R038 ', 'R039 ', 'R040 ', & ! 4 \n & 'R041 ', 'R042 ', 'R043 ', & ! 5 \n & 'R044 ', 'R045 ', 'R046 ', & ! 6 \n & 'R047 ', 'R048 ', 'R049 ', & ! 7 \n & 'R050 ', 'R051 ', 'R052 ', & ! 8 \n & 'R053 ', 'R054 ', 'R055 ', & ! 9 \n & 'R056 ', 'R057 ', 'R058 ', & ! 0 \n & 'R059 ', 'R060 ', 'R061 ', & ! 1 \n & 'R062 ', 'R063 ', 'R064 ', & ! 2 \n & 'R065 ', 'R066 ', 'R067 ', & ! 3 \n & 'R068 ', 'R069 ', 'R070 ', & ! 4 \n & 'R071 ', 'R072 ', 'R073 ', & ! 5 \n & 'R074 ', 'R076 ', 'R077 ', & ! 6 \n & 'R078 ', 'R080 ', 'ROCARO31 ', & ! 7 \n & 'ROCARO41 ', 'ROCARO51 ', 'ROCARO61 ', & ! 8 \n & 'R086 ', 'R087 ', 'R088 ', & ! 9 \n & 'TRP04 ', 'TRP05 ', 'R089 ', & ! 0 \n & 'R090 ', 'R091 ', 'R092 ', & ! 1 \n & 'R093 ', 'R094 ', 'R095 ', & ! 2 \n & 'R096 ', 'R097 ', 'R098 ', & ! 3 \n & 'R099 ', 'R100 ', 'R101 ', & ! 4 \n & 'R102 ', 'R103 ', 'R104 ', & ! 5 \n & 'R105 ', 'R106 ', 'R108 ', & ! 6 \n & 'R109 ', 'R110 ', 'R111 ', & ! 7 \n & 'R112 ', 'R113 ', 'R114 ', & ! 8 \n & 'TRP06 ', 'R114a ', 'R115 ', & ! 9 \n & 'R116 ', 'R117 ', 'R118 ', & ! 0 \n & 'R119 ', 'R120 ', 'R121 ', & ! 1 \n & 'R122 ', 'R123 ', 'TRP07 ', & ! 2 \n & 'R124 ', 'R125 ', 'R126 ', & ! 3 \n & 'R127 ', 'R128 ', 'R130 ', & ! 4 \n & 'R131 ', 'R132 ', 'TRP08 ', & ! 5 \n & 'TRP09 ', 'R133 ', 'R134 ', & ! 6 \n & 'R135 ', 'R136 ', 'R137 ', & ! 7 \n & 'R138 ', 'R140 ', 'R141 ', & ! 8 \n & 'R142 ', 'R143 ', 'R145 ', & ! 9 \n & 'R146 ', 'R147 ', 'TRP10 ', & ! 0 \n & 'R148 ', 'R149 ', 'R150 ', & ! 1 \n & 'R151 ', 'R152 ', 'R153 ', & ! 2 \n & 'R154 ', 'R155 ', 'R156 ', & ! 3 \n & 'R158 ', 'R159 ', 'TRP11 ', & ! 4 \n & 'TRP12 ', 'R166 ', 'R167 ', & ! 5 \n & 'R168 ', 'R169 ', 'R170 ', & ! 6 \n & 'R171 ', 'R172 ', 'R173 ', & ! 7 \n & 'R174 ', 'R175 ', 'R177 ', & ! 8 \n & 'R178 ', 'R179 ', 'ROCARO33 ', & ! 9 \n & 'ROCARO43 ', 'ROCARO53 ', 'ROCARO63 ', & ! 0 \n & 'R188 ', 'R189 ', 'TRP13 ', & ! 1 \n & 'TRP14 ', 'TRP15 ', 'R190 ', & ! 2 \n & 'TRP16 ', 'TRP17 ', 'TRP18 ', & ! 3 \n & 'TRP19 ', 'TRP20 ', 'R191 ', & ! 4 \n & 'R192 ', 'R193 ', 'R194 ', & ! 5 \n & 'R195 ', 'R196 ', 'R197 ', & ! 6 \n & 'R198 ', 'R199 ', 'R200 ', & ! 7 \n & 'R201 ', 'R202 ', 'R203 ', & ! 8 \n & 'R204 ', 'R205 ', 'R206 ', & ! 9 \n & 'R207 ', 'R208 ', 'R209 ', & ! 0 \n & 'R210 ', 'R211 ', 'R212 ', & ! 1 \n & 'R213 ', 'R214 ', 'R215 ', & ! 2 \n & 'R217 ', 'R218 ', 'R219 ', & ! 3 \n & 'ROCARO32 ', 'ROCARO42 ', 'ROCARO52 ', & ! 4 \n & 'ROCARO62 ', 'R228 ', 'R229 ', & ! 5 \n & 'TRP21 ', 'TRP22 ', 'TRP23 ', & ! 6 \n & 'R230 ', 'TRP24 ', 'TRP25 ', & ! 7 \n & 'TRP26 ', 'TRP27 ', 'TRP28 ', & ! 8 \n & 'R231 ', 'R232 ', 'R233 ', & ! 9 \n & 'R234 ', 'R235 ', 'R236 ', & ! 0 \n & 'R237 ', 'R238 ', 'R239 ', & ! 1 \n & 'R240 ', 'R241 ', 'R242 ', & ! 2 \n & 'R243 ', 'R244 ', 'R245 ', & ! 3 \n & 'R246 ', 'R247 ', 'R248 ', & ! 4 \n & 'R249 ', 'R250 ', 'R251 ', & ! 5 \n & 'R253 ', 'R254 ', 'R255 ', & ! 6 \n & 'ROCARO35 ', 'ROCARO45 ', 'ROCARO55 ', & ! 7 \n & 'ROCARO65 ', 'R264 ', 'R265 ', & ! 8 \n & 'TRP29 ', 'TRP30 ', 'TRP31 ', & ! 9 \n & 'R266 ', 'TRP32 ', 'TRP33 ', & ! 0 \n & 'TRP34 ', 'R267 ', 'R268 ', & ! 1 \n & 'R269 ', 'R270 ', 'R271 ', & ! 2 \n & 'R272 ', 'R273 ', 'R274 ', & ! 3 \n & 'R275 ', 'R276 ', 'R277 ', & ! 4 \n & 'R278 ', 'R279 ', 'R280 ', & ! 5 \n & 'R281 ', 'R282 ', 'R283 ', & ! 6 \n & 'R284 ', 'R285 ', 'R286 ', & ! 7 \n & 'R287 ', 'R289 ', 'R290 ', & ! 8 \n & 'R291 ', 'ROCARO36 ', 'ROCARO46 ', & ! 9 \n & 'ROCARO56 ', 'ROCARO66 ', 'R300 ', & ! 0 \n & 'R301 ', 'TRP35 ', 'TRP36 ', & ! 1 \n & 'TRP37 ', 'R302 ', 'TRP38 ', & ! 2 \n & 'TRP39 ', 'TRP40 ', 'R303 ', & ! 3 \n & 'R304 ', 'R305 ', 'R306 ', & ! 4 \n & 'R307 ', 'R308 ', 'R309 ', & ! 5 \n & 'R310 ', 'R311 ', 'R312 ', & ! 6 \n & 'R313 ', 'R314 ', 'R315 ', & ! 7 \n & 'R316 ', 'R317 ', 'R318 ', & ! 8 \n & 'R319 ', 'R320 ', 'R321 ', & ! 9 \n & 'R322 ', 'R323 ', 'R324 ', & ! 0 \n & 'R325 ', 'R327 ', 'R328 ', & ! 1 \n & 'R329 ', 'ROCARO34 ', 'ROCARO44 ', & ! 2 \n & 'ROCARO54 ', 'ROCARO64 ', 'R338 ', & ! 3 \n & 'R339 ', 'R340 ', 'R341 ', & ! 4 \n & 'R342 ', 'R343 ', 'R344 ', & ! 5 \n & 'R345 ', 'R346 ', 'R347 ', & ! 6 \n & 'R348 ', 'R349 ', 'R350 ', & ! 7 \n & 'R351 ', 'R352 ', 'R353 ', & ! 8 \n & 'R354 ', 'R355 ', 'R356 ', & ! 9 \n & 'R357 ', 'R358 ', 'R359 ', & ! 0 \n & 'R360 ', 'R361 ', 'R362 ', & ! 1 \n & 'R363 ', 'TRP41 ', 'TRP42 ', & ! 2 \n & 'TRP43 ', 'TRP44 ', 'TRP45 ', & ! 3 \n & 'TRP46 ', 'TRP47 ', 'TRP48 ', & ! 4 \n & 'TRP49 ', 'TRP50 ', 'TRP51 ', & ! 5 \n & 'TRP52 ', 'SA14 ', 'R001c ', & ! 6 \n & 'R002c ', 'T17 ', 'T18 ', & ! 7 \n & 'T19 ', 'T20 ', 'T10 ', & ! 8 \n & 'T10a ', 'T10b ', 'T10c ', & ! 9 \n & 'T10d ', 'T10e ', 'T11 ', & ! 0 \n & 'T12 ', 'R003c ', 'R004c ', & ! 1 \n & 'R005c ', 'R006c ', 'R007c ', & ! 2 \n & 'R008c ', 'R010c ', 'R011c ', & ! 3 \n & 'R012c ', 'R013c ', 'R014c ', & ! 4 \n & 'R015c ', 'R016c ', 'R017c ', & ! 5 \n & 'R019c ', 'R020c ', 'HET_GLY ', & ! 6 \n & 'HET_MGLY ', 'HET_N2O5 ', 'HET_N02 ', & ! 7 \n & 'HAL_Ozone ', 'HET_IEPOX ', 'HET_ISO3TET ', & ! 8 \n & 'HET_IEPOXOS ', 'ROCALK1c ', 'ROCALK2c ', & ! 9 \n & 'ROCALK3c ', 'ROCALK4c ', 'ROCALK5c ', & ! 0 \n & 'ROCALK6c ', 'HC1001 ', 'ROCALK7c ', & ! 1 \n & 'ROCALK8c ', 'ROCALK9c ', 'ROCALK10c ', & ! 2 \n & 'ROCALK11c ', 'ROCALK12c ', 'HC1002 ', & ! 3 \n & 'ROCALK13c ', 'ROCALK14c ', 'ROCALK15c ', & ! 4 \n & 'ROCALK16c ', 'ROCALK17c ', 'ROCALK18c ', & ! 5 \n & 'HC1003 ', 'ROCALK19c ', 'ROCALK20c ', & ! 6 \n & 'ROCALK21c ', 'ROCALK22c ', 'ROCALK23c ', & ! 7 \n & 'ROCALK24c ', 'HC1004 ', 'ROCALK25c ', & ! 8 \n & 'ROCALK26c ', 'ROCALK27c ', 'ROCALK28c ', & ! 9 \n & 'ROCALK29c ', 'ROCALK30c ', 'HC1005 ', & ! 0 \n & 'ROCALK31c ', 'ROCALK32c ', 'ROCALK33c ', & ! 1 \n & 'ROCALK34c ', 'ROCALK35c ', 'ROCALK36c ', & ! 2 \n & 'HC1006 ', 'ROCALK37c ', 'ROCALK38c ', & ! 3 \n & 'ROCALK39c ', 'ROCALK40c ', 'ROCALK41c ', & ! 4 \n & 'ROCALK42c ', 'HC1007 ', 'ROCALK43c ', & ! 5 \n & 'ROCALK44c ', 'ROCALK45c ', 'ROCALK46c ', & ! 6 \n & 'ROCALK47c ', 'ROCALK48c ', 'HC1008 ', & ! 7 \n & 'ROCARO01 ', 'ROCARO02 ', 'ROCARO03 ', & ! 8 \n & 'ROCARO04 ', 'ROCARO05 ', 'ROCARO06 ', & ! 9 \n & 'ROCARO11 ', 'ROCARO12 ', 'ROCARO13 ', & ! 0 \n & 'ROCARO14 ', 'ROCARO15 ', 'ROCARO16 ', & ! 1 \n & 'ROCARO21 ', 'ROCARO22 ', 'ROCARO23 ', & ! 2 \n & 'ROCARO24 ', 'ROCARO25 ', 'ROCARO26 ', & ! 3 \n & 'ROCOXY1c ', 'ROCOXY2c ', 'ROCOXY3c ', & ! 4 \n & 'ROCOXY4c ', 'ROCOXY5c ', 'ROCOXY6c ', & ! 5 \n & 'ROCOXY7c ', 'ROCOXY8c ', 'ROCOXY9c ', & ! 6 \n & 'ROCOXY10c ', 'ROCOXY11c ', 'ROCOXY12c ', & ! 7 \n & 'ROCOXY13c ', 'ROCOXY14c ', 'ROCOXY15c ', & ! 8 \n & 'ROCOXY16c '/ ! \n\n! NSPECIAL = Number of special rate coefficients\n! SPECIAL = Names of special rate coefficients\n! NSPECIAL_RXN = Number of reactions with special rates\n! ISPECIAL = Pointers to reactions using special rates and their special rate coefficients\n! MAXSPECTERMS = Max Number of terms type used by special rate coefficients\n! KC_COEFFS = Coefficients of standard rate coefficients times concentration terms \n! INDEX_KTERMS = Pointers to standard rate coefficients in special rate coefficients\n! INDEX_CTERMS = Pointers to species concentrations in special rate coefficients\n! OPERATOR_COEFFS = Coefficients of preceeding special rate coefficients used in special coefficient \n! OPERATORS = Pointers to preceeding special rate coefficients used in special coefficient \n\n! Special Rate information not available ..\n INTEGER, PARAMETER :: NSPECIAL_RXN = 0\n INTEGER :: ISPECIAL( 1, 2 )\n\n! Special Rate information not available ...\n INTEGER, PARAMETER :: NSPECIAL = 0\n\n! Special Rate information not available ...\n CHARACTER( 16 ) :: SPECIAL( 1 )\n\n INTEGER, PARAMETER :: MAXSPECTERMS = 1\n REAL( 8 ) :: KC_COEFFS( NSPECIAL + 1, MAXSPECTERMS)\n INTEGER :: INDEX_KTERMS( NSPECIAL + 1, MAXSPECTERMS)\n INTEGER :: INDEX_CTERMS( NSPECIAL + 1, MAXSPECTERMS)\n REAL( 8 ) :: OPERATOR_COEFFS( NSPECIAL + 1, MAXSPECTERMS)\n INTEGER :: OPERATORS( NSPECIAL + 1, MAXSPECTERMS)\n\n\n! Steady-state species section\n! N_SS_SPC = Number of species assumed to be in steady-state\n! SS_SPC_DIM = Dimension paramete for steady-state species\n! SS_SPC = Names of species assumed to be in steady-state\n! MAX_SS_LOSS = Max no. of SS loss rxns for any SS species\n! MAX_SS_PROD = Max no. of SS prod rxns for any SS species\n! N_LOSS_RXNS = No. of SS loss rxns for each SS species\n! N_PROD_RXNS = No. of SS prod rxns for each SS species\n! SS_LOSS_RXNS = List of SS loss rxns for each SS species\n! SS_PROD_RXNS = List of SS prod rxns for each SS species\n! SS_PROD_COEF = List of SS prod yields for each SS species\n! SS_RCT_IND = SS species index if it is a rxn reactant\n\n INTEGER, PARAMETER :: N_SS_SPC = 0\n\n INTEGER, PARAMETER :: SS_SPC_DIM = 1\n\n INTEGER, PARAMETER :: MAX_SS_LOSS = 0\n\n INTEGER, PARAMETER :: MAX_SS_PROD = 0\n\n CHARACTER( 16 ) :: SS_SPC( 1 )\n\n INTEGER :: N_LOSS_RXNS( 1 )\n INTEGER :: N_PROD_RXNS( 1 )\n INTEGER :: SS_LOSS_RXNS( 1, 1 )\n INTEGER :: SS_PROD_RXNS( 1, 1 )\n INTEGER :: SS_RCT_IND( 1 )\n\n REAL :: SS_PROD_COEF( 1,1 ) \n LOGICAL, PARAMETER :: USE_SPECIAL_RATES = .FALSE.\n! pointers and names to specific photolysis rates\n INTEGER, PARAMETER :: IJ_O3O3P_NASA06 = 1\n INTEGER, PARAMETER :: IJ_O3O1D_NASA06 = 2\n INTEGER, PARAMETER :: IJ_H2O2_RACM2 = 3\n INTEGER, PARAMETER :: IJ_NO2_RACM2 = 4\n INTEGER, PARAMETER :: IJ_NO3NO_RACM2 = 5\n INTEGER, PARAMETER :: IJ_NO3NO2_RACM2 = 6\n INTEGER, PARAMETER :: IJ_HONO_RACM2 = 7\n INTEGER, PARAMETER :: IJ_HNO3_RACM2 = 8\n INTEGER, PARAMETER :: IJ_HNO4_RACM2 = 9\n INTEGER, PARAMETER :: IJ_HCHO_MOL_JPL19 = 10\n INTEGER, PARAMETER :: IJ_HCHO_RAD_JPL19 = 11\n INTEGER, PARAMETER :: IJ_CH3CHO_RACM2 = 12\n INTEGER, PARAMETER :: IJ_ALD_JPL19 = 13\n INTEGER, PARAMETER :: IJ_CH3COCH3A_JPL19 = 14\n INTEGER, PARAMETER :: IJ_CH3COCH3B_JPL19 = 15\n INTEGER, PARAMETER :: IJ_UALD_RACM2 = 16\n INTEGER, PARAMETER :: IJ_MEK_JGR19 = 17\n INTEGER, PARAMETER :: IJ_KET_JGR19 = 18\n INTEGER, PARAMETER :: IJ_HKET_RACM2 = 19\n INTEGER, PARAMETER :: IJ_MACR_RACM2 = 20\n INTEGER, PARAMETER :: IJ_MVK_RACM2 = 21\n INTEGER, PARAMETER :: IJ_GLYH2_RACM2 = 22\n INTEGER, PARAMETER :: IJ_GLYF_RACM2 = 23\n INTEGER, PARAMETER :: IJ_GLYHX_RACM2 = 24\n INTEGER, PARAMETER :: IJ_MGLY_RACM2 = 25\n INTEGER, PARAMETER :: IJ_BALD_RACM2 = 26\n INTEGER, PARAMETER :: IJ_OP1_RACM2 = 27\n INTEGER, PARAMETER :: IJ_PAA_RACM2 = 28\n INTEGER, PARAMETER :: IJ_ONIT_RACM2 = 29\n INTEGER, PARAMETER :: IJ_PAN1_RACM2 = 30\n INTEGER, PARAMETER :: IJ_PAN2_RACM2 = 31\n INTEGER, PARAMETER :: IJ_ACRO_09 = 32\n INTEGER, PARAMETER :: IK_HETERO_GLY = 1\n INTEGER, PARAMETER :: IK_HETERO_MGLY = 2\n INTEGER, PARAMETER :: IK_HETERO_N2O5IJ = 3\n INTEGER, PARAMETER :: IK_HETERO_NO2 = 4\n INTEGER, PARAMETER :: IK_HETERO_IEPOX = 5\n INTEGER, PARAMETER :: IK_HETERO_ISO3NOSJ = 6\n INTEGER, PARAMETER :: IK_HETERO_ISO3OSJ = 7\n END MODULE RXNS_DATA\n" }, { "path": "CCTM/src/MECHS/cracmm1_aq/RXNS_FUNC_MODULE.F90", "content": " MODULE RXNS_FUNCTION\n\n\n IMPLICIT NONE\n\n\n\n! Name of Mechanism CRACMM1_AQ\n\n PUBLIC :: CALC_RCONST, SPECIAL_RATES, MAP_CHEMISTRY_SPECIES\n\n CONTAINS\n\n\n REAL( 8 ) FUNCTION POWER_T02( TEMPOT300,A0,B0 )\n IMPLICIT NONE\n! rate constant for CMAQ Arrhenuis reaction type 2\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: TEMPOT300\n REAL( 8 ), INTENT( IN ) :: A0\n REAL( 8 ), INTENT( IN ) :: B0\n ! Local: None\n POWER_T02 = A0 * TEMPOT300**B0\n RETURN\n END FUNCTION POWER_T02\n REAL( 8 ) FUNCTION ARRHENUIS_T04( INV_TEMP,TEMPOT300,A0,B0,C0 )\n IMPLICIT NONE\n! rate constant for CMAQ Arrhenuis reaction type 4\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: INV_TEMP\n REAL( 8 ), INTENT( IN ) :: TEMPOT300\n REAL( 8 ), INTENT( IN ) :: A0\n REAL( 8 ), INTENT( IN ) :: B0\n REAL( 8 ), INTENT( IN ) :: C0\n ! Local:\n INTRINSIC DEXP\n ARRHENUIS_T04 = A0 * DEXP( B0 * INV_TEMP ) * TEMPOT300**C0\n RETURN\n END FUNCTION ARRHENUIS_T04\n REAL( 8 ) FUNCTION ARRHENUIS_T03( INV_TEMP,A0,B0 )\n! rate constant for CMAQ Arrhenuis reaction type 3\n IMPLICIT NONE\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: INV_TEMP\n REAL( 8 ), INTENT(IN) :: A0\n REAL( 8 ), INTENT(IN) :: B0\n ! Local:\n INTRINSIC DEXP\n ARRHENUIS_T03 = A0 * DEXP( B0 * INV_TEMP )\n RETURN\n END FUNCTION ARRHENUIS_T03 \n REAL( 8 ) FUNCTION FALLOFF_T08(INV_TEMP,CAIR,A0,C0,A2,C2,A3,C3)\n! rate constant for CMAQ fall off reaction type 8\n IMPLICIT NONE\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: INV_TEMP\n REAL( 8 ), INTENT( IN ) :: CAIR\n REAL( 8 ), INTENT( IN ) :: A0\n REAL( 8 ), INTENT( IN ) :: C0\n REAL( 8 ), INTENT( IN ) :: A2\n REAL( 8 ), INTENT( IN ) :: C2\n REAL( 8 ), INTENT( IN ) :: A3\n REAL( 8 ), INTENT( IN ) :: C3\n ! Local:\n REAL( 8 ) K0\n REAL( 8 ) K2\n REAL( 8 ) K3\n INTRINSIC DEXP\n K0 = A0 * DEXP( C0 * INV_TEMP )\n K2 = A2 * DEXP( C2 * INV_TEMP )\n K3 = A3 * DEXP( C3 * INV_TEMP )\n K3 = K3 * CAIR\n FALLOFF_T08 = K0 + K3/( 1.0D0 + K3/K2 )\n RETURN\n END FUNCTION FALLOFF_T08\n REAL( 8 ) FUNCTION FALLOFF_T09(INV_TEMP,CAIR,A1,C1,A2,C2)\n! rate constant for CMAQ fall off reaction type 9\n IMPLICIT NONE\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: INV_TEMP\n REAL( 8 ), INTENT( IN ) :: CAIR\n REAL( 8 ), INTENT( IN ) :: A1\n REAL( 8 ), INTENT( IN ) :: C1\n REAL( 8 ), INTENT( IN ) :: A2\n REAL( 8 ), INTENT( IN ) :: C2\n ! Local:\n REAL( 8 ) K1\n REAL( 8 ) K2\n INTRINSIC DEXP\n K1 = A1 * DEXP( C1 * INV_TEMP )\n K2 = A2 * DEXP( C2 * INV_TEMP )\n FALLOFF_T09 = K1 + K2 * CAIR\n RETURN\n END FUNCTION FALLOFF_T09\n REAL( 8 ) FUNCTION FALLOFF_T10(INV_TEMP,TEMPOT300,CAIR,A0,B0,C0,A1,B1,C1,CE,CF)\n IMPLICIT NONE\n! rate constant for CMAQ fall off reaction type 10\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: INV_TEMP\n REAL( 8 ), INTENT( IN ) :: TEMPOT300\n REAL( 8 ), INTENT( IN ) :: CAIR\n REAL( 8 ), INTENT( IN ) :: A0\n REAL( 8 ), INTENT( IN ) :: B0\n REAL( 8 ), INTENT( IN ) :: C0\n REAL( 8 ), INTENT( IN ) :: A1\n REAL( 8 ), INTENT( IN ) :: B1\n REAL( 8 ), INTENT( IN ) :: C1\n REAL( 8 ), INTENT( IN ) :: CE\n REAL( 8 ), INTENT( IN ) :: CF\n ! Local:\n REAL( 8 ) K0\n REAL( 8 ) K1\n REAL( 8 ) KEND\n K0 = A0 * CAIR * DEXP(B0*INV_TEMP)* TEMPOT300**C0\n K1 = A1 * DEXP(B1*INV_TEMP) * TEMPOT300**C1\n KEND = ( ( 1.0D0 + ( ( 1.0D0 / CE ) * DLOG10( K0 / K1 ) ) ** 2.0D0 ) )\n KEND = 1.0D0 / KEND\n FALLOFF_T10 = ( K0 / ( 1.0D0 + K0/K1 ) ) * CF ** KEND\n RETURN\n END FUNCTION FALLOFF_T10\n REAL( 8 ) FUNCTION FALLOFF_T11(INV_TEMP,TEMPOT300,CAIR,A1,B1,C1,A2, B2, C2, D1, D2)\n! rate constant for CMAQ fall off reaction type 11\n! actually expanded form of type 9\n IMPLICIT NONE\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: INV_TEMP\n REAL( 8 ), INTENT( IN ) :: TEMPOT300\n REAL( 8 ), INTENT( IN ) :: CAIR\n REAL( 8 ), INTENT( IN ) :: A1\n REAL( 8 ), INTENT( IN ) :: B1\n REAL( 8 ), INTENT( IN ) :: C1\n REAL( 8 ), INTENT( IN ) :: A2\n REAL( 8 ), INTENT( IN ) :: B2\n REAL( 8 ), INTENT( IN ) :: C2\n REAL( 8 ), INTENT( IN ) :: D1\n REAL( 8 ), INTENT( IN ) :: D2\n ! Local:\n REAL( 8 ) K1\n REAL( 8 ) K2\n REAL( 8 ) K3\n INTRINSIC DEXP\n K1 = A1 * DEXP( C1 * INV_TEMP ) * TEMPOT300**B1\n K2 = A2 * DEXP( C2 * INV_TEMP ) * TEMPOT300**B2\n K3 = D1 * DEXP( D2 * INV_TEMP )\n FALLOFF_T11 = K1 + K2 * CAIR + K3\n RETURN\n END FUNCTION FALLOFF_T11\n REAL( 8 ) FUNCTION HALOGEN_FALLOFF(PRESS,A1,B1,A2,B2,A3)\n IMPLICIT NONE\n REAL( 8 ), INTENT( IN ) :: PRESS\n REAL( 8 ), INTENT( IN ) :: A1\n REAL( 8 ), INTENT( IN ) :: B1\n REAL( 8 ), INTENT( IN ) :: A2\n REAL( 8 ), INTENT( IN ) :: B2\n REAL( 8 ), INTENT( IN ) :: A3 ! Maximum loss rate (1/sec)\n INTRINSIC DEXP\n HALOGEN_FALLOFF = A1 * DEXP( B1 * PRESS ) + A2 * DEXP( B2 * PRESS )\n HALOGEN_FALLOFF = DMIN1 (A3, HALOGEN_FALLOFF )\n RETURN\n END FUNCTION HALOGEN_FALLOFF\n\n SUBROUTINE SPECIAL_RATES( NUMCELLS, Y, TEMP, DENS, RKI )\n! Purpose: calculate special rate operators and update\n! appropriate rate constants\n\n USE RXNS_DATA\n IMPLICIT NONE\n\n! Arguments:\n INTEGER, INTENT( IN ) :: NUMCELLS ! Number of cells in block \n REAL( 8 ), INTENT( IN ) :: Y( :, : ) ! species concs\n REAL( 8 ), INTENT( IN ) :: TEMP( : ) ! air temperature, K \n REAL( 8 ), INTENT( IN ) :: DENS( : ) ! air density, Kg/m3\n REAL( 8 ), INTENT( INOUT ) :: RKI( :, : ) ! reaction rate constant, ppm/min \n! Local:\n REAL( 8 ), PARAMETER :: DENSITY_TO_NUMBER = 2.07930D+19 ! Kg/m3 to molecules/cm3\n\n INTEGER :: NCELL\n REAL( 8 ) :: INV_TEMP\n REAL( 8 ) :: CAIR\n REAL( 8 ) :: CFACT ! scales operator if not multiplied by RKI, cm^3/(molecule) to 1/(ppm)\n REAL( 8 ) :: CFACT_SQU ! scales operator if not multiplied by RKI, cm^6/(molec^2) to 1/(ppm^2)\n! special rate operators listed below\n\n\n\n DO NCELL = 1, NUMCELLS\n INV_TEMP = 1.0D0 / TEMP( NCELL )\n CAIR = DENSITY_TO_NUMBER * DENS( NCELL )\n CFACT = 1.0D-06 * CAIR\n CFACT_SQU = 1.0D-12 * CAIR * CAIR\n\n\n! define special rate operators\n\n\n! define rate constants in terms of special rate operators \n\n END DO\n\n RETURN\n END SUBROUTINE SPECIAL_RATES\n \n SUBROUTINE CALC_RCONST( BLKTEMP, BLKPRES, BLKH2O, RJBLK, BLKHET, LSUNLIGHT, SEAWATER, RKI, NUMCELLS )\n\n!**********************************************************************\n\n! Function: To compute thermal and photolytic reaction rate\n! coefficients for each reaction.\n\n! Preconditions: Photolysis rates for individual species must have\n! been calculated and stored in RJPHOT. Expects\n! temperature in deg K, pressure in atm., water\n! vapor in ppmV, and J-values in /min.\n! Key Subroutines/Functions Called: POWER_02, ARRHRENUIS_T0*, FALLOFF_T*, HALOGEN_FALLOFF \n!***********************************************************************\n\n\n\n\n USE RXNS_DATA\n\n IMPLICIT NONE \n\n! Arguements: None \n\n REAL( 8 ), INTENT( IN ) :: BLKTEMP( : ) ! temperature, deg K \n REAL( 8 ), INTENT( IN ) :: BLKPRES( : ) ! pressure, Atm\n REAL( 8 ), INTENT( IN ) :: BLKH2O ( : ) ! water mixing ratio, ppm \n REAL( 8 ), INTENT( IN ) :: RJBLK ( :, : ) ! photolysis rates, 1/min \n REAL( 8 ), INTENT( IN ) :: BLKHET ( :, : ) ! heterogeneous rate constants, ???/min\n INTEGER, INTENT( IN ) :: NUMCELLS ! Number of cells in block \n LOGICAL, INTENT( IN ) :: LSUNLIGHT ! Is there sunlight? \n REAL( 8 ), INTENT( IN ) :: SEAWATER( : ) ! fractional area of OPEN+SURF \n REAL( 8 ), INTENT( OUT ) :: RKI ( :, : ) ! reaction rate constant, ppm/min \n!..Parameters: \n\n REAL( 8 ), PARAMETER :: COEF1 = 7.33981D+15 ! Molec/cc to ppm conv factor \n REAL( 8 ), PARAMETER :: CONSTC = 0.6D+0 ! Constant for reaction type 7\n REAL( 8 ), PARAMETER :: TI300 = 1.0D+0/300.0D+0 ! reciprocal of 300 deg K\n REAL( 8 ), PARAMETER :: SFACT = 60.D+0 ! seconds per minute \n!..External Functions: None\n\n!..Local Variables:\n\n INTEGER :: NRT ! Loop index for reaction types \n INTEGER :: IRXN ! Reaction number\n INTEGER :: JNUM ! J-value species # from PHOT)\n INTEGER :: KNUM ! Reaction # for a relative rate coeff.\n INTEGER :: N ! Loop index for reactions\n INTEGER :: NCELL ! Loop index for # of cells in the block\n REAL( 8 ) :: CAIR ! air number density (wet) [molec/cm^3]\n REAL( 8 ) :: CFACT ! Convertor cm^3/(molec*sec) to 1/(ppm*min)\n REAL( 8 ) :: CFACT_SQU ! Convertor cm^6/(molec^2*sec) to 1/(ppm^2*min)\n REAL( 8 ) :: INV_CFACT ! ppm/min to molec/(cm^3*sec)\n REAL( 8 ) :: TEMPOT300 ! temperature divided by 300 K, dimensionaless \n REAL( 8 ) :: INV_TEMP ! reciprocal of air temperature, K-1\n REAL( 8 ) :: INV_CAIR ! reciprocal of air number density (wet), [cm^3/molec]\n REAL( 8 ) :: TEMP ! air temperature, K\n REAL( 8 ) :: PRESS ! pressure [Atm] \n REAL( 8 ) :: INV_RFACT ! ppm/min to molec/(cm^3*min)\n REAL( 8 ) :: RFACT_SQU ! cm^6/(molec^2*min) to 1/(ppm^2*min)\n REAL( 8 ) :: RFACT ! cm^3/(molec*min) to 1/(ppm*min)\n REAL( 8 ) :: H2O ! concentration, [molec/cm^3] \n\n RKI = 0.0D0 \n\n! All rate constants converted from molec/cm3 to ppm\n! and 1/sec to 1/min\n\n IF( LSUNLIGHT )THEN \n DO NCELL = 1, NUMCELLS \n\n! Reaction Label R001 \n RKI( NCELL, 1) = RJBLK( NCELL, IJ_O3O3P_NASA06 )\n! Reaction Label R002 \n RKI( NCELL, 2) = RJBLK( NCELL, IJ_O3O1D_NASA06 )\n! Reaction Label R003 \n RKI( NCELL, 3) = RJBLK( NCELL, IJ_H2O2_RACM2 )\n! Reaction Label R004 \n RKI( NCELL, 4) = RJBLK( NCELL, IJ_NO2_RACM2 )\n! Reaction Label R005 \n RKI( NCELL, 5) = RJBLK( NCELL, IJ_NO3NO_RACM2 )\n! Reaction Label R006 \n RKI( NCELL, 6) = RJBLK( NCELL, IJ_NO3NO2_RACM2 )\n! Reaction Label R007 \n RKI( NCELL, 7) = RJBLK( NCELL, IJ_HONO_RACM2 )\n! Reaction Label R008 \n RKI( NCELL, 8) = RJBLK( NCELL, IJ_HNO3_RACM2 )\n! Reaction Label R009 \n RKI( NCELL, 9) = RJBLK( NCELL, IJ_HNO4_RACM2 )\n! Reaction Label R010 \n RKI( NCELL, 10) = RJBLK( NCELL, IJ_HCHO_MOL_JPL19 )\n! Reaction Label R011 \n RKI( NCELL, 11) = RJBLK( NCELL, IJ_HCHO_RAD_JPL19 )\n! Reaction Label R012 \n RKI( NCELL, 12) = RJBLK( NCELL, IJ_CH3CHO_RACM2 )\n! Reaction Label R013 \n RKI( NCELL, 13) = RJBLK( NCELL, IJ_ALD_JPL19 )\n! Reaction Label R014 \n RKI( NCELL, 14) = RJBLK( NCELL, IJ_CH3COCH3A_JPL19 )\n! Reaction Label R014a \n RKI( NCELL, 15) = RJBLK( NCELL, IJ_CH3COCH3B_JPL19 )\n! Reaction Label R015 \n RKI( NCELL, 16) = RJBLK( NCELL, IJ_UALD_RACM2 )\n! Reaction Label TRP01 \n RKI( NCELL, 17) = RJBLK( NCELL, IJ_ALD_JPL19 )\n! Reaction Label TRP02 \n RKI( NCELL, 18) = RJBLK( NCELL, IJ_ALD_JPL19 )\n! Reaction Label R016 \n RKI( NCELL, 19) = RJBLK( NCELL, IJ_MEK_JGR19 )\n! Reaction Label R017 \n RKI( NCELL, 20) = RJBLK( NCELL, IJ_KET_JGR19 )\n! Reaction Label R018 \n RKI( NCELL, 21) = RJBLK( NCELL, IJ_HKET_RACM2 )\n! Reaction Label R019 \n RKI( NCELL, 22) = RJBLK( NCELL, IJ_MACR_RACM2 )\n! Reaction Label R020 \n RKI( NCELL, 23) = RJBLK( NCELL, IJ_MVK_RACM2 )\n! Reaction Label R021 \n RKI( NCELL, 24) = RJBLK( NCELL, IJ_GLYH2_RACM2 )\n! Reaction Label R022 \n RKI( NCELL, 25) = RJBLK( NCELL, IJ_GLYF_RACM2 )\n! Reaction Label R023 \n RKI( NCELL, 26) = RJBLK( NCELL, IJ_GLYHX_RACM2 )\n! Reaction Label R024 \n RKI( NCELL, 27) = RJBLK( NCELL, IJ_MGLY_RACM2 )\n! Reaction Label R025 \n RKI( NCELL, 28) = RJBLK( NCELL, IJ_MGLY_RACM2 )\n! Reaction Label R026 \n RKI( NCELL, 29) = RJBLK( NCELL, IJ_MGLY_RACM2 )\n! Reaction Label R027 \n RKI( NCELL, 30) = RJBLK( NCELL, IJ_BALD_RACM2 )\n! Reaction Label R028 \n RKI( NCELL, 31) = RJBLK( NCELL, IJ_OP1_RACM2 )\n! Reaction Label R029 \n RKI( NCELL, 32) = RJBLK( NCELL, IJ_OP1_RACM2 )\n! Reaction Label TRP03 \n RKI( NCELL, 33) = RJBLK( NCELL, IJ_OP1_RACM2 )\n! Reaction Label R029a \n RKI( NCELL, 34) = RJBLK( NCELL, IJ_OP1_RACM2 )\n! Reaction Label R030 \n RKI( NCELL, 35) = RJBLK( NCELL, IJ_PAA_RACM2 )\n! Reaction Label R031 \n RKI( NCELL, 36) = RJBLK( NCELL, IJ_ONIT_RACM2 )\n! Reaction Label R032 \n RKI( NCELL, 37) = RJBLK( NCELL, IJ_PAN1_RACM2 )\n! Reaction Label R033 \n RKI( NCELL, 38) = RJBLK( NCELL, IJ_PAN2_RACM2 )\n! Reaction Label T20 \n RKI( NCELL, 386) = RJBLK( NCELL, IJ_ACRO_09 )\n\n IF ( SEAWATER (NCELL) .GT. 0.001D0 ) THEN\n! Reaction Label HAL_Ozone \n RKI( NCELL, 415) = SEAWATER (NCELL) * SFACT * HALOGEN_FALLOFF( BLKPRES( NCELL ), 6.7006D-11, 1.0743D+01, & \n & 3.4153D-08, -6.7130D-01, 2.0000D-06 )\n ELSE\n RKI( NCELL, 415) = 0.0D0 \n END IF\n\n END DO \n END IF \n\n DO NCELL = 1, NUMCELLS \n! Set-up conversion factors \n INV_TEMP = 1.0D+00 / BLKTEMP( NCELL ) \n CAIR = 1.0D+06 * COEF1 * BLKPRES( NCELL ) * INV_TEMP \n CFACT = 6.0D-05 * CAIR\n CFACT_SQU = 6.0D-11 * CAIR * CAIR \n INV_CAIR = 1.0D0 / CAIR \n INV_CFACT = 6.0D+07 * INV_CAIR \n TEMP = BLKTEMP( NCELL ) \n TEMPOT300 = BLKTEMP( NCELL ) * TI300 \n RFACT = 1.0D+06 * INV_CAIR \n RFACT_SQU = 1.0D+12 * INV_CAIR * INV_CAIR \n\n! Reaction Label R034 \n RKI( NCELL, 39) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.7000D-12, -9.4000D+02 )\n! Reaction Label R035 \n RKI( NCELL, 40) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.0000D-14, -4.9000D+02 )\n! Reaction Label R036 \n RKI( NCELL, 41) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.0000D-12, -1.5000D+03 )\n! Reaction Label R037 \n RKI( NCELL, 42) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.2000D-13, -2.4500D+03 )\n! Reaction Label R038 \n RKI( NCELL, 43) = CFACT_SQU * POWER_T02( TEMPOT300, 6.1000D-34, -2.4000D+00 )\n! Reaction Label R039 \n RKI( NCELL, 44) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.0000D-12, -2.0600D+03 )\n! Reaction Label R040 \n RKI( NCELL, 45) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.3000D-11, 5.5000D+01 )\n! Reaction Label R041 \n RKI( NCELL, 46) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.1500D-11, 1.1000D+02 )\n! Reaction Label R042 \n RKI( NCELL, 47) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.6300D-10, 6.0000D+01 )\n! Reaction Label R043 \n RKI( NCELL, 48) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.8000D-12, -1.8000D+03 )\n! Reaction Label R044 \n RKI( NCELL, 49) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.8000D-11, 2.5000D+02 )\n! Reaction Label R045 \n RKI( NCELL, 50) = CFACT * FALLOFF_T09( INV_TEMP, CAIR, & \n & 3.0000D-13, 4.6000D+02, 2.1000D-33, & \n & 9.2000D+02 )\n! Reaction Label R046 \n RKI( NCELL, 51) = CFACT_SQU * FALLOFF_T09( INV_TEMP, CAIR, & \n & 4.2000D-34, 2.6600D+03, 2.9400D-54, & \n & 3.1200D+03 )\n! Reaction Label R047 \n RKI( NCELL, 52) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.8000D-12, 0.0000D+00 )\n! Reaction Label R048 \n RKI( NCELL, 53) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 9.1000D-32, 0.0000D+00, -1.5000D+00, & \n & 3.0000D-11, 0.0000D+00, 0.0000D+00, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label R049 \n RKI( NCELL, 54) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 7.1000D-31, 0.0000D+00, -2.6000D+00, & \n & 3.6000D-11, 0.0000D+00, -1.0000D-01, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label R050 \n RKI( NCELL, 55) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.4400D-12, 2.6000D+02 )\n! Reaction Label R051 \n RKI( NCELL, 56) = CFACT * FALLOFF_T11( INV_TEMP,TEMPOT300,CAIR, & \n & 6.0950D-14, -1.0000D+00, 2.7000D+02, &\n & 6.8570D-34, 1.0000D+00, 2.7000D+02, & \n & -5.9680D-14, 2.7000D+02 )\n! Reaction Label R052 \n RKI( NCELL, 57) = CFACT_SQU * ARRHENUIS_T03( INV_TEMP, 4.2500D-39, 6.6350D+02 )\n! Reaction Label R053 \n RKI( NCELL, 58) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.0000D-12, 2.5000D+02 )\n! Reaction Label R054 \n RKI( NCELL, 59) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.3000D-12, 2.0000D+02 )\n! Reaction Label R055 \n RKI( NCELL, 60) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 3.4000D-31, 0.0000D+00, -1.6000D+00, & \n & 2.3000D-11, 0.0000D+00, -2.0000D-01, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label R056 \n RKI( NCELL, 61) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 1.8000D-30, 0.0000D+00, -3.0000D+00, & \n & 2.8000D-11, 0.0000D+00, 0.0000D+00, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label R057 \n RKI( NCELL, 62) = CFACT * FALLOFF_T08( INV_TEMP, CAIR, & \n & 2.4000D-14, 4.6000D+02, 2.7000D-17, & \n & 2.1990D+03, 6.5000D-34, 1.3350D+03 )\n! Reaction Label R058 \n RKI( NCELL, 63) = 2.0000D-11 * CFACT \n! Reaction Label R059 \n RKI( NCELL, 64) = 3.5000D-12 * CFACT \n! Reaction Label R060 \n RKI( NCELL, 65) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.7000D-11, 1.2500D+02 )\n! Reaction Label R061 \n RKI( NCELL, 66) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.3500D-14, -1.3350D+03 )\n! Reaction Label R062 \n RKI( NCELL, 67) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.5000D-13, -2.4500D+03 )\n! Reaction Label R063 \n RKI( NCELL, 68) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 2.4000D-30, 0.0000D+00, -3.0000D+00, & \n & 1.6000D-12, 0.0000D+00, 1.0000D-01, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label R064 \n RKI( NCELL, 69) = RFACT * RKI( NCELL, 68 ) & \n & * ( 1.7241D+26 * DEXP( -1.0840D+04 * INV_TEMP) ) \n! Reaction Label R065 \n RKI( NCELL, 70) = 1.0000D-22 * CFACT \n! Reaction Label R066 \n RKI( NCELL, 71) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 1.9000D-31, 0.0000D+00, -3.4000D+00, & \n & 4.0000D-12, 0.0000D+00, -3.0000D-01, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label R067 \n RKI( NCELL, 72) = RFACT * RKI( NCELL, 71 ) & \n & * ( 4.7619D+26 * DEXP( -1.0900D+04 * INV_TEMP) ) \n! Reaction Label R068 \n RKI( NCELL, 73) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.5000D-13, 6.1000D+02 )\n! Reaction Label R069 \n RKI( NCELL, 74) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 2.9000D-31, 0.0000D+00, -4.1000D+00, & \n & 1.7000D-12, 0.0000D+00, 2.0000D-01, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label R070 \n RKI( NCELL, 75) = CFACT * FALLOFF_T09( INV_TEMP, CAIR, & \n & 1.4400D-13, 0.0000D+00, 2.7400D-33, & \n & 0.0000D+00 )\n! Reaction Label R071 \n RKI( NCELL, 76) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.4500D-12, -1.7750D+03 )\n! Reaction Label R072 \n RKI( NCELL, 77) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.6600D-12, -1.0200D+03 )\n! Reaction Label R073 \n RKI( NCELL, 78) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.6800D-12, -3.7000D+02 )\n! Reaction Label R074 \n RKI( NCELL, 79) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.0100D-11, -2.4500D+02 )\n! Reaction Label R076 \n RKI( NCELL, 80) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 1.0000D-28, 0.0000D+00, -4.5000D+00, & \n & 8.8000D-12, 0.0000D+00, -8.5000D-01, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label R077 \n RKI( NCELL, 81) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.7200D-12, 5.0000D+02 )\n! Reaction Label R078 \n RKI( NCELL, 82) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.3300D-11, 5.0000D+02 )\n! Reaction Label R080 \n RKI( NCELL, 83) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 5.5000D-30, 0.0000D+00, 0.0000D+00, & \n & 8.3000D-13, 0.0000D+00, 2.0000D+00, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label ROCARO31 \n RKI( NCELL, 84) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.3300D-12, -1.9300D+02 )\n! Reaction Label ROCARO41 \n RKI( NCELL, 85) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.8100D-12, 3.5400D+02 )\n! Reaction Label ROCARO51 \n RKI( NCELL, 86) = 2.3300D-11 * CFACT \n! Reaction Label ROCARO61 \n RKI( NCELL, 87) = 7.1600D-12 * CFACT \n! Reaction Label R086 \n RKI( NCELL, 88) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-11, 3.9000D+02 )\n! Reaction Label R087 \n RKI( NCELL, 89) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.2100D-11, 4.4000D+02 )\n! Reaction Label R088 \n RKI( NCELL, 90) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.2000D-11, 4.0100D+02 )\n! Reaction Label TRP04 \n RKI( NCELL, 91) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.2000D-12, 6.0000D+02 )\n! Reaction Label TRP05 \n RKI( NCELL, 92) = 1.0000D-10 * CFACT \n! Reaction Label R089 \n RKI( NCELL, 93) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.5000D-12, 1.2500D+02 )\n! Reaction Label R090 \n RKI( NCELL, 94) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.7000D-12, 3.4500D+02 )\n! Reaction Label R091 \n RKI( NCELL, 95) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.9000D-12, 4.0500D+02 )\n! Reaction Label R092 \n RKI( NCELL, 96) = CFACT * ARRHENUIS_T04( INV_TEMP, TEMPOT300, & \n & 4.5600D-14, -4.2700D+02, 3.6500D+00 )\n! Reaction Label R093 \n RKI( NCELL, 97) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.5000D-12, -9.0000D+01 )\n! Reaction Label R094 \n RKI( NCELL, 98) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.8000D-12, 1.0000D+01 )\n! Reaction Label R095 \n RKI( NCELL, 99) = 3.0000D-12 * CFACT \n! Reaction Label R096 \n RKI( NCELL, 100) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.0000D-12, 3.8000D+02 )\n! Reaction Label R097 \n RKI( NCELL, 101) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.6000D-12, 6.1000D+02 )\n! Reaction Label R098 \n RKI( NCELL, 102) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.7700D-12, 5.3300D+02 )\n! Reaction Label R099 \n RKI( NCELL, 103) = 1.1000D-11 * CFACT \n! Reaction Label R100 \n RKI( NCELL, 104) = CFACT * ARRHENUIS_T03( INV_TEMP, 9.2600D-13, 8.3000D+02 )\n! Reaction Label R101 \n RKI( NCELL, 105) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.8000D-11, 1.7500D+02 )\n! Reaction Label R102 \n RKI( NCELL, 106) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.8000D-11, 1.7500D+02 )\n! Reaction Label R103 \n RKI( NCELL, 107) = 1.0000D-11 * CFACT \n! Reaction Label R104 \n RKI( NCELL, 108) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.3200D-12, 2.4300D+02 )\n! Reaction Label R105 \n RKI( NCELL, 109) = CFACT * ARRHENUIS_T03( INV_TEMP, 6.7500D-12, 4.0500D+02 )\n! Reaction Label R106 \n RKI( NCELL, 110) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.6500D-11, 0.0000D+00 )\n! Reaction Label R108 \n RKI( NCELL, 111) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.0500D-10, 0.0000D+00 )\n! Reaction Label R109 \n RKI( NCELL, 112) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.8500D-12, -3.4500D+02 )\n! Reaction Label R110 \n RKI( NCELL, 113) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.0000D-12, 2.0000D+01 )\n! Reaction Label R111 \n RKI( NCELL, 114) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.6000D-12, 2.0000D+02 )\n! Reaction Label R112 \n RKI( NCELL, 115) = 1.4700D-11 * CFACT \n! Reaction Label R113 \n RKI( NCELL, 116) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9000D-12, 1.9000D+02 )\n! Reaction Label R114 \n RKI( NCELL, 117) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.4000D-12, 1.9000D+02 )\n! Reaction Label TRP06 \n RKI( NCELL, 118) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.4000D-12, 1.9000D+02 )\n! Reaction Label R114a \n RKI( NCELL, 119) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.4000D-12, 1.9000D+02 )\n! Reaction Label R115 \n RKI( NCELL, 120) = 1.0000D-10 * CFACT \n! Reaction Label R116 \n RKI( NCELL, 121) = 3.0000D-11 * CFACT \n! Reaction Label R117 \n RKI( NCELL, 122) = 4.5000D-13 * CFACT \n! Reaction Label R118 \n RKI( NCELL, 123) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.0000D-14, 8.5000D+02 )\n! Reaction Label R119 \n RKI( NCELL, 124) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9300D-12, 1.9000D+02 )\n! Reaction Label R120 \n RKI( NCELL, 125) = 4.0000D-14 * CFACT \n! Reaction Label R121 \n RKI( NCELL, 126) = 4.0000D-14 * CFACT \n! Reaction Label R122 \n RKI( NCELL, 127) = 3.2000D-11 * CFACT \n! Reaction Label R123 \n RKI( NCELL, 128) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.3100D-12, -2.6000D+02 )\n! Reaction Label TRP07 \n RKI( NCELL, 129) = 4.8000D-12 * CFACT \n! Reaction Label R124 \n RKI( NCELL, 130) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.6000D-12, 2.7000D+02 )\n! Reaction Label R125 \n RKI( NCELL, 131) = 1.3000D-11 * CFACT \n! Reaction Label R126 \n RKI( NCELL, 132) = CFACT * ARRHENUIS_T03( INV_TEMP, 9.1400D-15, -2.5800D+03 )\n! Reaction Label R127 \n RKI( NCELL, 133) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.3300D-15, -1.8000D+03 )\n! Reaction Label R128 \n RKI( NCELL, 134) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.4000D-15, -8.4500D+02 )\n! Reaction Label R130 \n RKI( NCELL, 135) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.8600D-15, -1.9130D+03 )\n! Reaction Label R131 \n RKI( NCELL, 136) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.0000D-16, -5.3000D+02 )\n! Reaction Label R132 \n RKI( NCELL, 137) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9500D-15, -7.8300D+02 )\n! Reaction Label TRP08 \n RKI( NCELL, 138) = 8.3000D-18 * CFACT \n! Reaction Label TRP09 \n RKI( NCELL, 139) = 1.6700D-16 * CFACT \n! Reaction Label R133 \n RKI( NCELL, 140) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.3600D-15, -2.1120D+03 )\n! Reaction Label R134 \n RKI( NCELL, 141) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.5000D-16, -1.5200D+03 )\n! Reaction Label R135 \n RKI( NCELL, 142) = 1.6600D-18 * CFACT \n! Reaction Label R136 \n RKI( NCELL, 143) = 2.0000D-16 * CFACT \n! Reaction Label R137 \n RKI( NCELL, 144) = 2.0000D-16 * CFACT \n! Reaction Label R138 \n RKI( NCELL, 145) = 9.0000D-17 * CFACT \n! Reaction Label R140 \n RKI( NCELL, 146) = 2.8600D-13 * CFACT \n! Reaction Label R141 \n RKI( NCELL, 147) = CFACT * ARRHENUIS_T04( INV_TEMP, TEMPOT300, & \n & 4.3920D-13, -2.2820D+03, 2.0000D+00 )\n! Reaction Label R142 \n RKI( NCELL, 148) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.7900D-13, -4.5000D+02 )\n! Reaction Label R143 \n RKI( NCELL, 149) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.6400D-13, 4.5000D+02 )\n! Reaction Label R145 \n RKI( NCELL, 150) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.0300D-12, -4.4600D+02 )\n! Reaction Label R146 \n RKI( NCELL, 151) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.1900D-12, 4.9000D+02 )\n! Reaction Label R147 \n RKI( NCELL, 152) = 1.2200D-11 * CFACT \n! Reaction Label TRP10 \n RKI( NCELL, 153) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.1500D-14, -4.4800D+02 )\n! Reaction Label R148 \n RKI( NCELL, 154) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.0000D-12, -2.4400D+03 )\n! Reaction Label R149 \n RKI( NCELL, 155) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.4000D-12, -1.9000D+03 )\n! Reaction Label R150 \n RKI( NCELL, 156) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.7600D-12, -1.9000D+03 )\n! Reaction Label R151 \n RKI( NCELL, 157) = 3.4000D-15 * CFACT \n! Reaction Label R152 \n RKI( NCELL, 158) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.0200D-13, -1.0760D+03 )\n! Reaction Label R153 \n RKI( NCELL, 159) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9000D-12, -1.9000D+03 )\n! Reaction Label R154 \n RKI( NCELL, 160) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.7600D-12, -1.9000D+03 )\n! Reaction Label R155 \n RKI( NCELL, 161) = 3.7800D-12 * CFACT \n! Reaction Label R156 \n RKI( NCELL, 162) = 1.0600D-12 * CFACT \n! Reaction Label R158 \n RKI( NCELL, 163) = 2.0100D-10 * CFACT \n! Reaction Label R159 \n RKI( NCELL, 164) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.2000D-14, -5.0000D+02 )\n! Reaction Label TRP11 \n RKI( NCELL, 165) = 1.0000D+00 * SFACT \n! Reaction Label TRP12 \n RKI( NCELL, 166) = 1.0000D+00 * SFACT \n! Reaction Label R166 \n RKI( NCELL, 167) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 9.7000D-29, 0.0000D+00, -5.6000D+00, & \n & 9.3000D-12, 0.0000D+00, -1.5000D+00, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label R167 \n RKI( NCELL, 168) = RFACT * RKI( NCELL, 167 ) & \n & * ( 1.1111D+28 * DEXP( -1.4000D+04 * INV_TEMP) ) \n! Reaction Label R168 \n RKI( NCELL, 169) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 9.7000D-29, 0.0000D+00, -5.6000D+00, & \n & 9.3000D-12, 0.0000D+00, -1.5000D+00, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label R169 \n RKI( NCELL, 170) = RFACT * RKI( NCELL, 169 ) & \n & * ( 1.1111D+28 * DEXP( -1.4000D+04 * INV_TEMP) ) \n! Reaction Label R170 \n RKI( NCELL, 171) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.8000D-12, 1.8100D+02 )\n! Reaction Label R171 \n RKI( NCELL, 172) = SFACT * ARRHENUIS_T03( INV_TEMP, 1.6000D+16, -1.3486D+04 )\n! Reaction Label R172 \n RKI( NCELL, 173) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.8000D-12, 3.0000D+02 )\n! Reaction Label R173 \n RKI( NCELL, 174) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.6000D-12, 3.6500D+02 )\n! Reaction Label R174 \n RKI( NCELL, 175) = 4.0000D-12 * CFACT \n! Reaction Label R175 \n RKI( NCELL, 176) = 4.0000D-12 * CFACT \n! Reaction Label R177 \n RKI( NCELL, 177) = 9.0000D-12 * CFACT \n! Reaction Label R178 \n RKI( NCELL, 178) = 4.0000D-12 * CFACT \n! Reaction Label R179 \n RKI( NCELL, 179) = 4.0000D-12 * CFACT \n! Reaction Label ROCARO33 \n RKI( NCELL, 180) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label ROCARO43 \n RKI( NCELL, 181) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label ROCARO53 \n RKI( NCELL, 182) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label ROCARO63 \n RKI( NCELL, 183) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label R188 \n RKI( NCELL, 184) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.4300D-12, 3.6000D+02 )\n! Reaction Label R189 \n RKI( NCELL, 185) = 4.0000D-12 * CFACT \n! Reaction Label TRP13 \n RKI( NCELL, 186) = 4.0000D-12 * CFACT \n! Reaction Label TRP14 \n RKI( NCELL, 187) = 4.0000D-12 * CFACT \n! Reaction Label TRP15 \n RKI( NCELL, 188) = 4.0000D-12 * CFACT \n! Reaction Label R190 \n RKI( NCELL, 189) = 4.0000D-12 * CFACT \n! Reaction Label TRP16 \n RKI( NCELL, 190) = 4.0000D-12 * CFACT \n! Reaction Label TRP17 \n RKI( NCELL, 191) = 4.0000D-12 * CFACT \n! Reaction Label TRP18 \n RKI( NCELL, 192) = 4.0000D-12 * CFACT \n! Reaction Label TRP19 \n RKI( NCELL, 193) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label TRP20 \n RKI( NCELL, 194) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label R191 \n RKI( NCELL, 195) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.1000D-12, 2.7000D+02 )\n! Reaction Label R192 \n RKI( NCELL, 196) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.1000D-12, 2.7000D+02 )\n! Reaction Label R193 \n RKI( NCELL, 197) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9000D-12, 3.0000D+02 )\n! Reaction Label R194 \n RKI( NCELL, 198) = 4.0000D-12 * CFACT \n! Reaction Label R195 \n RKI( NCELL, 199) = 4.0000D-12 * CFACT \n! Reaction Label R196 \n RKI( NCELL, 200) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.5400D-12, 3.6000D+02 )\n! Reaction Label R197 \n RKI( NCELL, 201) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.5400D-12, 3.6000D+02 )\n! Reaction Label R198 \n RKI( NCELL, 202) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.5400D-12, 3.6000D+02 )\n! Reaction Label R199 \n RKI( NCELL, 203) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.5400D-12, 3.6000D+02 )\n! Reaction Label R200 \n RKI( NCELL, 204) = 4.0000D-12 * CFACT \n! Reaction Label R201 \n RKI( NCELL, 205) = 4.0000D-12 * CFACT \n! Reaction Label R202 \n RKI( NCELL, 206) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label R203 \n RKI( NCELL, 207) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label R204 \n RKI( NCELL, 208) = 4.0000D-12 * CFACT \n! Reaction Label R205 \n RKI( NCELL, 209) = 4.0000D-12 * CFACT \n! Reaction Label R206 \n RKI( NCELL, 210) = 4.0000D-12 * CFACT \n! Reaction Label R207 \n RKI( NCELL, 211) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label R208 \n RKI( NCELL, 212) = 4.0000D-12 * CFACT \n! Reaction Label R209 \n RKI( NCELL, 213) = 2.0000D-11 * CFACT \n! Reaction Label R210 \n RKI( NCELL, 214) = 2.0000D-11 * CFACT \n! Reaction Label R211 \n RKI( NCELL, 215) = 2.0800D-12 * CFACT \n! Reaction Label R212 \n RKI( NCELL, 216) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.1000D-13, 7.5000D+02 )\n! Reaction Label R213 \n RKI( NCELL, 217) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.5000D-13, 7.0000D+02 )\n! Reaction Label R214 \n RKI( NCELL, 218) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.6600D-13, 1.3000D+03 )\n! Reaction Label R215 \n RKI( NCELL, 219) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.6600D-13, 1.3000D+03 )\n! Reaction Label R217 \n RKI( NCELL, 220) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.9000D-13, 1.3000D+03 )\n! Reaction Label R218 \n RKI( NCELL, 221) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.6600D-13, 1.3000D+03 )\n! Reaction Label R219 \n RKI( NCELL, 222) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.6600D-13, 1.3000D+03 )\n! Reaction Label ROCARO32 \n RKI( NCELL, 223) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9100D-13, 1.3000D+03 )\n! Reaction Label ROCARO42 \n RKI( NCELL, 224) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9100D-13, 1.3000D+03 )\n! Reaction Label ROCARO52 \n RKI( NCELL, 225) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9100D-13, 1.3000D+03 )\n! Reaction Label ROCARO62 \n RKI( NCELL, 226) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9100D-13, 1.3000D+03 )\n! Reaction Label R228 \n RKI( NCELL, 227) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.0500D-13, 1.3000D+03 )\n! Reaction Label R229 \n RKI( NCELL, 228) = 1.5000D-11 * CFACT \n! Reaction Label TRP21 \n RKI( NCELL, 229) = 1.5000D-11 * CFACT \n! Reaction Label TRP22 \n RKI( NCELL, 230) = 1.5000D-11 * CFACT \n! Reaction Label TRP23 \n RKI( NCELL, 231) = 1.5000D-11 * CFACT \n! Reaction Label R230 \n RKI( NCELL, 232) = 1.5000D-11 * CFACT \n! Reaction Label TRP24 \n RKI( NCELL, 233) = 1.5000D-11 * CFACT \n! Reaction Label TRP25 \n RKI( NCELL, 234) = 1.5000D-11 * CFACT \n! Reaction Label TRP26 \n RKI( NCELL, 235) = 1.5000D-11 * CFACT \n! Reaction Label TRP27 \n RKI( NCELL, 236) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9100D-13, 1.3000D+03 )\n! Reaction Label TRP28 \n RKI( NCELL, 237) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9100D-13, 1.3000D+03 )\n! Reaction Label R231 \n RKI( NCELL, 238) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.3000D-13, 1.0400D+03 )\n! Reaction Label R232 \n RKI( NCELL, 239) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.3000D-13, 1.0400D+03 )\n! Reaction Label R233 \n RKI( NCELL, 240) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.1500D-13, 1.3000D+03 )\n! Reaction Label R234 \n RKI( NCELL, 241) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.1500D-13, 1.3000D+03 )\n! Reaction Label R235 \n RKI( NCELL, 242) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.1500D-13, 1.3000D+03 )\n! Reaction Label R236 \n RKI( NCELL, 243) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.8200D-13, 1.3000D+03 )\n! Reaction Label R237 \n RKI( NCELL, 244) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.8200D-13, 1.3000D+03 )\n! Reaction Label R238 \n RKI( NCELL, 245) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9100D-13, 1.3000D+03 )\n! Reaction Label R239 \n RKI( NCELL, 246) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9100D-13, 1.3000D+03 )\n! Reaction Label R240 \n RKI( NCELL, 247) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.7500D-13, 9.8000D+02 )\n! Reaction Label R241 \n RKI( NCELL, 248) = 1.0000D-11 * CFACT \n! Reaction Label R242 \n RKI( NCELL, 249) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.7500D-13, 9.8000D+02 )\n! Reaction Label R243 \n RKI( NCELL, 250) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.1500D-13, 1.3000D+03 )\n! Reaction Label R244 \n RKI( NCELL, 251) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.6600D-13, 1.3000D+03 )\n! Reaction Label R245 \n RKI( NCELL, 252) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.6600D-13, 1.3000D+03 )\n! Reaction Label R246 \n RKI( NCELL, 253) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.7500D-13, 9.8000D+02 )\n! Reaction Label R247 \n RKI( NCELL, 254) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.6600D-13, 1.3000D+03 )\n! Reaction Label R248 \n RKI( NCELL, 255) = CFACT * ARRHENUIS_T03( INV_TEMP, 9.5000D-14, 3.9000D+02 )\n! Reaction Label R249 \n RKI( NCELL, 256) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.1800D-13, 1.5800D+02 )\n! Reaction Label R250 \n RKI( NCELL, 257) = CFACT * ARRHENUIS_T03( INV_TEMP, 9.4600D-14, 4.3100D+02 )\n! Reaction Label R251 \n RKI( NCELL, 258) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.0000D-13, 4.6700D+02 )\n! Reaction Label R253 \n RKI( NCELL, 259) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.7100D-13, 7.0800D+02 )\n! Reaction Label R254 \n RKI( NCELL, 260) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.4600D-13, 7.0800D+02 )\n! Reaction Label R255 \n RKI( NCELL, 261) = CFACT * ARRHENUIS_T03( INV_TEMP, 9.1800D-14, 7.0800D+02 )\n! Reaction Label ROCARO35 \n RKI( NCELL, 262) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.5600D-14, 7.0800D+02 )\n! Reaction Label ROCARO45 \n RKI( NCELL, 263) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.5600D-14, 7.0800D+02 )\n! Reaction Label ROCARO55 \n RKI( NCELL, 264) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.5600D-14, 7.0800D+02 )\n! Reaction Label ROCARO65 \n RKI( NCELL, 265) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.5600D-14, 7.0800D+02 )\n! Reaction Label R264 \n RKI( NCELL, 266) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.4000D-14, 2.2100D+02 )\n! Reaction Label R265 \n RKI( NCELL, 267) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.5600D-14, 7.0800D+02 )\n! Reaction Label TRP29 \n RKI( NCELL, 268) = 1.0000D-10 * CFACT \n! Reaction Label TRP30 \n RKI( NCELL, 269) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.5600D-14, 7.0800D+02 )\n! Reaction Label TRP31 \n RKI( NCELL, 270) = 1.0000D-10 * CFACT \n! Reaction Label R266 \n RKI( NCELL, 271) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.5600D-14, 7.0800D+02 )\n! Reaction Label TRP32 \n RKI( NCELL, 272) = 1.0000D-10 * CFACT \n! Reaction Label TRP33 \n RKI( NCELL, 273) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.5600D-14, 7.0800D+02 )\n! Reaction Label TRP34 \n RKI( NCELL, 274) = 1.0000D-10 * CFACT \n! Reaction Label R267 \n RKI( NCELL, 275) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.0000D-11, 5.0000D+02 )\n! Reaction Label R268 \n RKI( NCELL, 276) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.0000D-11, 5.0000D+02 )\n! Reaction Label R269 \n RKI( NCELL, 277) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.5000D-13, 5.0000D+02 )\n! Reaction Label R270 \n RKI( NCELL, 278) = CFACT * ARRHENUIS_T03( INV_TEMP, 6.9100D-13, 5.0800D+02 )\n! Reaction Label R271 \n RKI( NCELL, 279) = CFACT * ARRHENUIS_T03( INV_TEMP, 6.9100D-13, 5.0800D+02 )\n! Reaction Label R272 \n RKI( NCELL, 280) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.4000D-14, 2.2100D+02 )\n! Reaction Label R273 \n RKI( NCELL, 281) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.4000D-14, 2.2100D+02 )\n! Reaction Label R274 \n RKI( NCELL, 282) = 8.3700D-14 * CFACT \n! Reaction Label R275 \n RKI( NCELL, 283) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.4000D-14, 2.2100D+02 )\n! Reaction Label R276 \n RKI( NCELL, 284) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.5600D-14, 7.0800D+02 )\n! Reaction Label R277 \n RKI( NCELL, 285) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.5600D-14, 7.0800D+02 )\n! Reaction Label R278 \n RKI( NCELL, 286) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.5600D-14, 7.0800D+02 )\n! Reaction Label R279 \n RKI( NCELL, 287) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.5600D-14, 7.0800D+02 )\n! Reaction Label R280 \n RKI( NCELL, 288) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.5000D-13, 5.0000D+02 )\n! Reaction Label R281 \n RKI( NCELL, 289) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.6000D-13, 7.0800D+02 )\n! Reaction Label R282 \n RKI( NCELL, 290) = CFACT * ARRHENUIS_T03( INV_TEMP, 9.6800D-14, 7.0800D+02 )\n! Reaction Label R283 \n RKI( NCELL, 291) = 3.5600D-14 * CFACT \n! Reaction Label R284 \n RKI( NCELL, 292) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.9900D-15, 1.5100D+03 )\n! Reaction Label R285 \n RKI( NCELL, 293) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.0300D-12, 2.1100D+02 )\n! Reaction Label R286 \n RKI( NCELL, 294) = CFACT * ARRHENUIS_T03( INV_TEMP, 6.9000D-13, 4.6000D+02 )\n! Reaction Label R287 \n RKI( NCELL, 295) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.5900D-13, 5.2200D+02 )\n! Reaction Label R289 \n RKI( NCELL, 296) = CFACT * ARRHENUIS_T03( INV_TEMP, 9.4800D-13, 7.6500D+02 )\n! Reaction Label R290 \n RKI( NCELL, 297) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.1100D-13, 7.6500D+02 )\n! Reaction Label R291 \n RKI( NCELL, 298) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.0900D-13, 7.6500D+02 )\n! Reaction Label ROCARO36 \n RKI( NCELL, 299) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4000D-13, 7.6500D+02 )\n! Reaction Label ROCARO46 \n RKI( NCELL, 300) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4000D-13, 7.6500D+02 )\n! Reaction Label ROCARO56 \n RKI( NCELL, 301) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4000D-13, 7.6500D+02 )\n! Reaction Label ROCARO66 \n RKI( NCELL, 302) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4000D-13, 7.6500D+02 )\n! Reaction Label R300 \n RKI( NCELL, 303) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.4000D-14, 2.2100D+02 )\n! Reaction Label R301 \n RKI( NCELL, 304) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4000D-13, 7.6500D+02 )\n! Reaction Label TRP35 \n RKI( NCELL, 305) = 1.0000D-10 * CFACT \n! Reaction Label TRP36 \n RKI( NCELL, 306) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4000D-13, 7.6500D+02 )\n! Reaction Label TRP37 \n RKI( NCELL, 307) = 1.0000D-10 * CFACT \n! Reaction Label R302 \n RKI( NCELL, 308) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4000D-13, 7.6500D+02 )\n! Reaction Label TRP38 \n RKI( NCELL, 309) = 1.0000D-10 * CFACT \n! Reaction Label TRP39 \n RKI( NCELL, 310) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4000D-13, 7.6500D+02 )\n! Reaction Label TRP40 \n RKI( NCELL, 311) = 1.0000D-10 * CFACT \n! Reaction Label R303 \n RKI( NCELL, 312) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.5000D-12, 5.0000D+02 )\n! Reaction Label R304 \n RKI( NCELL, 313) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.5000D-12, 5.0000D+02 )\n! Reaction Label R305 \n RKI( NCELL, 314) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.5100D-13, 5.6500D+02 )\n! Reaction Label R306 \n RKI( NCELL, 315) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.5100D-13, 5.6500D+02 )\n! Reaction Label R307 \n RKI( NCELL, 316) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.5100D-13, 5.6500D+02 )\n! Reaction Label R308 \n RKI( NCELL, 317) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.4000D-14, 2.2100D+02 )\n! Reaction Label R309 \n RKI( NCELL, 318) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.4000D-14, 2.2100D+02 )\n! Reaction Label R310 \n RKI( NCELL, 319) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.6800D-12, 5.0000D+02 )\n! Reaction Label R311 \n RKI( NCELL, 320) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.6800D-12, 5.0000D+02 )\n! Reaction Label R312 \n RKI( NCELL, 321) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4000D-13, 7.6500D+02 )\n! Reaction Label R313 \n RKI( NCELL, 322) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4000D-13, 7.6500D+02 )\n! Reaction Label R314 \n RKI( NCELL, 323) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4000D-13, 7.0800D+02 )\n! Reaction Label R315 \n RKI( NCELL, 324) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4000D-13, 7.0800D+02 )\n! Reaction Label R316 \n RKI( NCELL, 325) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.5100D-13, 5.6500D+02 )\n! Reaction Label R317 \n RKI( NCELL, 326) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.8500D-13, 7.6500D+02 )\n! Reaction Label R318 \n RKI( NCELL, 327) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.3700D-13, 7.6500D+02 )\n! Reaction Label R319 \n RKI( NCELL, 328) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4000D-13, 7.0800D+02 )\n! Reaction Label R320 \n RKI( NCELL, 329) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.4000D-14, 1.5600D+03 )\n! Reaction Label R321 \n RKI( NCELL, 330) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.5000D-12, 5.0000D+02 )\n! Reaction Label R322 \n RKI( NCELL, 331) = 1.2000D-12 * CFACT \n! Reaction Label R323 \n RKI( NCELL, 332) = 1.2000D-12 * CFACT \n! Reaction Label R324 \n RKI( NCELL, 333) = 1.2000D-12 * CFACT \n! Reaction Label R325 \n RKI( NCELL, 334) = 1.2000D-12 * CFACT \n! Reaction Label R327 \n RKI( NCELL, 335) = 1.2000D-12 * CFACT \n! Reaction Label R328 \n RKI( NCELL, 336) = 1.2000D-12 * CFACT \n! Reaction Label R329 \n RKI( NCELL, 337) = 1.2000D-12 * CFACT \n! Reaction Label ROCARO34 \n RKI( NCELL, 338) = 2.3000D-12 * CFACT \n! Reaction Label ROCARO44 \n RKI( NCELL, 339) = 2.3000D-12 * CFACT \n! Reaction Label ROCARO54 \n RKI( NCELL, 340) = 2.3000D-12 * CFACT \n! Reaction Label ROCARO64 \n RKI( NCELL, 341) = 2.3000D-12 * CFACT \n! Reaction Label R338 \n RKI( NCELL, 342) = 1.2000D-12 * CFACT \n! Reaction Label R339 \n RKI( NCELL, 343) = 1.2000D-12 * CFACT \n! Reaction Label R340 \n RKI( NCELL, 344) = 1.2000D-12 * CFACT \n! Reaction Label R341 \n RKI( NCELL, 345) = 4.0000D-12 * CFACT \n! Reaction Label R342 \n RKI( NCELL, 346) = 4.0000D-12 * CFACT \n! Reaction Label R343 \n RKI( NCELL, 347) = 1.2000D-12 * CFACT \n! Reaction Label R344 \n RKI( NCELL, 348) = 1.2000D-12 * CFACT \n! Reaction Label R345 \n RKI( NCELL, 349) = 1.2000D-12 * CFACT \n! Reaction Label R346 \n RKI( NCELL, 350) = 1.2000D-12 * CFACT \n! Reaction Label R347 \n RKI( NCELL, 351) = 1.2000D-12 * CFACT \n! Reaction Label R348 \n RKI( NCELL, 352) = 2.5000D-12 * CFACT \n! Reaction Label R349 \n RKI( NCELL, 353) = 2.5000D-12 * CFACT \n! Reaction Label R350 \n RKI( NCELL, 354) = 2.5000D-12 * CFACT \n! Reaction Label R351 \n RKI( NCELL, 355) = 2.5000D-12 * CFACT \n! Reaction Label R352 \n RKI( NCELL, 356) = 1.2000D-12 * CFACT \n! Reaction Label R353 \n RKI( NCELL, 357) = 1.2000D-12 * CFACT \n! Reaction Label R354 \n RKI( NCELL, 358) = 1.2000D-12 * CFACT \n! Reaction Label R355 \n RKI( NCELL, 359) = 1.2000D-12 * CFACT \n! Reaction Label R356 \n RKI( NCELL, 360) = 1.2000D-12 * CFACT \n! Reaction Label R357 \n RKI( NCELL, 361) = 1.2000D-12 * CFACT \n! Reaction Label R358 \n RKI( NCELL, 362) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.0000D-14, 1.0000D+03 )\n! Reaction Label R359 \n RKI( NCELL, 363) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.2500D-14, 1.0000D+03 )\n! Reaction Label R360 \n RKI( NCELL, 364) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9600D-14, 1.0000D+03 )\n! Reaction Label R361 \n RKI( NCELL, 365) = 1.2000D-12 * CFACT \n! Reaction Label R362 \n RKI( NCELL, 366) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.5000D-12, 5.0000D+02 )\n! Reaction Label R363 \n RKI( NCELL, 367) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.1300D-17, 2.9500D+03 )\n! Reaction Label TRP41 \n RKI( NCELL, 368) = 1.0000D-10 * CFACT \n! Reaction Label TRP42 \n RKI( NCELL, 369) = 1.0000D-10 * CFACT \n! Reaction Label TRP43 \n RKI( NCELL, 370) = 1.0000D-10 * CFACT \n! Reaction Label TRP44 \n RKI( NCELL, 371) = 1.0000D-10 * CFACT \n! Reaction Label TRP45 \n RKI( NCELL, 372) = 1.0000D-10 * CFACT \n! Reaction Label TRP46 \n RKI( NCELL, 373) = 1.0000D-10 * CFACT \n! Reaction Label TRP47 \n RKI( NCELL, 374) = 1.0000D-10 * CFACT \n! Reaction Label TRP48 \n RKI( NCELL, 375) = 1.0000D-10 * CFACT \n! Reaction Label TRP49 \n RKI( NCELL, 376) = 1.0000D-10 * CFACT \n! Reaction Label TRP50 \n RKI( NCELL, 377) = 1.0000D-10 * CFACT \n! Reaction Label TRP51 \n RKI( NCELL, 378) = 1.0000D-10 * CFACT \n! Reaction Label TRP52 \n RKI( NCELL, 379) = 1.0000D-10 * CFACT \n! Reaction Label SA14 \n RKI( NCELL, 380) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.7800D-11, -4.0000D+02 )\n! Reaction Label R001c \n RKI( NCELL, 381) = 6.8900D-12 * CFACT \n! Reaction Label R002c \n RKI( NCELL, 382) = 6.5500D-14 * CFACT \n! Reaction Label T17 \n RKI( NCELL, 383) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.0000D-12, 3.8000D+02 )\n! Reaction Label T18 \n RKI( NCELL, 384) = 2.9000D-19 * CFACT \n! Reaction Label T19 \n RKI( NCELL, 385) = 3.4000D-15 * CFACT \n! Reaction Label T10 \n RKI( NCELL, 387) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.4800D-11, 4.4800D+02 )\n! Reaction Label T10a \n RKI( NCELL, 388) = 9.0500D-12 * CFACT \n! Reaction Label T10b \n RKI( NCELL, 389) = 2.3000D-12 * CFACT \n! Reaction Label T10c \n RKI( NCELL, 390) = 1.6100D-11 * CFACT \n! Reaction Label T10d \n RKI( NCELL, 391) = 2.3900D-12 * CFACT \n! Reaction Label T10e \n RKI( NCELL, 392) = 1.3700D-11 * CFACT \n! Reaction Label T11 \n RKI( NCELL, 393) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.3400D-14, -2.2830D+03 )\n! Reaction Label T12 \n RKI( NCELL, 394) = 1.0000D-13 * CFACT \n! Reaction Label R003c \n RKI( NCELL, 395) = 5.0100D-11 * CFACT \n! Reaction Label R004c \n RKI( NCELL, 396) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label R005c \n RKI( NCELL, 397) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.7500D-13, 9.8000D+02 )\n! Reaction Label R006c \n RKI( NCELL, 398) = 4.4000D-11 * CFACT \n! Reaction Label R007c \n RKI( NCELL, 399) = 3.4300D-17 * CFACT \n! Reaction Label R008c \n RKI( NCELL, 400) = 8.9900D-12 * CFACT \n! Reaction Label R010c \n RKI( NCELL, 401) = 1.2000D-11 * CFACT \n! Reaction Label R011c \n RKI( NCELL, 402) = 1.9000D-11 * CFACT \n! Reaction Label R012c \n RKI( NCELL, 403) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.8400D-13, 1.3000D+03 )\n! Reaction Label R013c \n RKI( NCELL, 404) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label R014c \n RKI( NCELL, 405) = 2.3000D-12 * CFACT \n! Reaction Label R015c \n RKI( NCELL, 406) = 1.2000D-14 * CFACT \n! Reaction Label R016c \n RKI( NCELL, 407) = 1.9700D-10 * CFACT \n! Reaction Label R017c \n RKI( NCELL, 408) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.8400D-13, 1.3000D+03 )\n! Reaction Label R019c \n RKI( NCELL, 409) = 2.3000D-12 * CFACT \n! Reaction Label R020c \n RKI( NCELL, 410) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label HET_GLY \n RKI( NCELL, 411) = BLKHET( NCELL, IK_HETERO_GLY )\n! Reaction Label HET_MGLY \n RKI( NCELL, 412) = BLKHET( NCELL, IK_HETERO_MGLY )\n! Reaction Label HET_N2O5 \n RKI( NCELL, 413) = BLKHET( NCELL, IK_HETERO_N2O5IJ )\n! Reaction Label HET_N02 \n RKI( NCELL, 414) = BLKHET( NCELL, IK_HETERO_NO2 )\n! Reaction Label HET_IEPOX \n RKI( NCELL, 416) = BLKHET( NCELL, IK_HETERO_IEPOX )\n! Reaction Label HET_ISO3TET \n RKI( NCELL, 417) = BLKHET( NCELL, IK_HETERO_ISO3NOSJ )\n! Reaction Label HET_IEPOXOS \n RKI( NCELL, 418) = BLKHET( NCELL, IK_HETERO_ISO3OSJ )\n! Reaction Label ROCALK1c \n RKI( NCELL, 419) = 1.5300D-11 * CFACT \n! Reaction Label ROCALK2c \n RKI( NCELL, 420) = 1.6800D-11 * CFACT \n! Reaction Label ROCALK3c \n RKI( NCELL, 421) = 2.2400D-11 * CFACT \n! Reaction Label ROCALK4c \n RKI( NCELL, 422) = 2.6700D-11 * CFACT \n! Reaction Label ROCALK5c \n RKI( NCELL, 423) = 3.0900D-11 * CFACT \n! Reaction Label ROCALK6c \n RKI( NCELL, 424) = 3.3800D-11 * CFACT \n! Reaction Label HC1001 \n RKI( NCELL, 425) = 1.1000D-11 * CFACT \n! Reaction Label ROCALK7c \n RKI( NCELL, 426) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label ROCALK8c \n RKI( NCELL, 427) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label ROCALK9c \n RKI( NCELL, 428) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label ROCALK10c \n RKI( NCELL, 429) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label ROCALK11c \n RKI( NCELL, 430) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label ROCALK12c \n RKI( NCELL, 431) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label HC1002 \n RKI( NCELL, 432) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label ROCALK13c \n RKI( NCELL, 433) = 2.3000D-12 * CFACT \n! Reaction Label ROCALK14c \n RKI( NCELL, 434) = 2.3000D-12 * CFACT \n! Reaction Label ROCALK15c \n RKI( NCELL, 435) = 2.3000D-12 * CFACT \n! Reaction Label ROCALK16c \n RKI( NCELL, 436) = 2.3000D-12 * CFACT \n! Reaction Label ROCALK17c \n RKI( NCELL, 437) = 2.3000D-12 * CFACT \n! Reaction Label ROCALK18c \n RKI( NCELL, 438) = 2.3000D-12 * CFACT \n! Reaction Label HC1003 \n RKI( NCELL, 439) = 2.3000D-12 * CFACT \n! Reaction Label ROCALK19c \n RKI( NCELL, 440) = 2.1700D-11 * CFACT \n! Reaction Label ROCALK20c \n RKI( NCELL, 441) = 2.2000D-11 * CFACT \n! Reaction Label ROCALK21c \n RKI( NCELL, 442) = 2.2500D-11 * CFACT \n! Reaction Label ROCALK22c \n RKI( NCELL, 443) = 2.2600D-11 * CFACT \n! Reaction Label ROCALK23c \n RKI( NCELL, 444) = 2.2700D-11 * CFACT \n! Reaction Label ROCALK24c \n RKI( NCELL, 445) = 2.2700D-11 * CFACT \n! Reaction Label HC1004 \n RKI( NCELL, 446) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.6600D-13, 1.3000D+03 )\n! Reaction Label ROCALK25c \n RKI( NCELL, 447) = 1.8800D-01 * SFACT \n! Reaction Label ROCALK26c \n RKI( NCELL, 448) = 1.8800D-01 * SFACT \n! Reaction Label ROCALK27c \n RKI( NCELL, 449) = 1.8800D-01 * SFACT \n! Reaction Label ROCALK28c \n RKI( NCELL, 450) = 1.8800D-01 * SFACT \n! Reaction Label ROCALK29c \n RKI( NCELL, 451) = 1.8800D-01 * SFACT \n! Reaction Label ROCALK30c \n RKI( NCELL, 452) = 1.8800D-01 * SFACT \n! Reaction Label HC1005 \n RKI( NCELL, 453) = 1.8800D-01 * SFACT \n! Reaction Label ROCALK31c \n RKI( NCELL, 454) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label ROCALK32c \n RKI( NCELL, 455) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label ROCALK33c \n RKI( NCELL, 456) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label ROCALK34c \n RKI( NCELL, 457) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label ROCALK35c \n RKI( NCELL, 458) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label ROCALK36c \n RKI( NCELL, 459) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label HC1006 \n RKI( NCELL, 460) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label ROCALK37c \n RKI( NCELL, 461) = 2.3000D-12 * CFACT \n! Reaction Label ROCALK38c \n RKI( NCELL, 462) = 2.3000D-12 * CFACT \n! Reaction Label ROCALK39c \n RKI( NCELL, 463) = 2.3000D-12 * CFACT \n! Reaction Label ROCALK40c \n RKI( NCELL, 464) = 2.3000D-12 * CFACT \n! Reaction Label ROCALK41c \n RKI( NCELL, 465) = 2.3000D-12 * CFACT \n! Reaction Label ROCALK42c \n RKI( NCELL, 466) = 2.3000D-12 * CFACT \n! Reaction Label HC1007 \n RKI( NCELL, 467) = 2.3000D-12 * CFACT \n! Reaction Label ROCALK43c \n RKI( NCELL, 468) = 2.1700D-11 * CFACT \n! Reaction Label ROCALK44c \n RKI( NCELL, 469) = 2.2000D-11 * CFACT \n! Reaction Label ROCALK45c \n RKI( NCELL, 470) = 2.2500D-11 * CFACT \n! Reaction Label ROCALK46c \n RKI( NCELL, 471) = 2.2600D-11 * CFACT \n! Reaction Label ROCALK47c \n RKI( NCELL, 472) = 2.2700D-11 * CFACT \n! Reaction Label ROCALK48c \n RKI( NCELL, 473) = 2.2700D-11 * CFACT \n! Reaction Label HC1008 \n RKI( NCELL, 474) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.6600D-13, 1.3000D+03 )\n! Reaction Label ROCARO01 \n RKI( NCELL, 475) = 1.8100D-11 * CFACT \n! Reaction Label ROCARO02 \n RKI( NCELL, 476) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9100D-13, 1.3000D+03 )\n! Reaction Label ROCARO03 \n RKI( NCELL, 477) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label ROCARO04 \n RKI( NCELL, 478) = 2.3000D-12 * CFACT \n! Reaction Label ROCARO05 \n RKI( NCELL, 479) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.5600D-14, 7.0800D+02 )\n! Reaction Label ROCARO06 \n RKI( NCELL, 480) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4000D-13, 7.6500D+02 )\n! Reaction Label ROCARO11 \n RKI( NCELL, 481) = 1.8100D-11 * CFACT \n! Reaction Label ROCARO12 \n RKI( NCELL, 482) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9100D-13, 1.3000D+03 )\n! Reaction Label ROCARO13 \n RKI( NCELL, 483) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label ROCARO14 \n RKI( NCELL, 484) = 2.3000D-12 * CFACT \n! Reaction Label ROCARO15 \n RKI( NCELL, 485) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.5600D-14, 7.0800D+02 )\n! Reaction Label ROCARO16 \n RKI( NCELL, 486) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4000D-13, 7.6500D+02 )\n! Reaction Label ROCARO21 \n RKI( NCELL, 487) = 2.3100D-11 * CFACT \n! Reaction Label ROCARO22 \n RKI( NCELL, 488) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9100D-13, 1.3000D+03 )\n! Reaction Label ROCARO23 \n RKI( NCELL, 489) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label ROCARO24 \n RKI( NCELL, 490) = 2.3000D-12 * CFACT \n! Reaction Label ROCARO25 \n RKI( NCELL, 491) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.5600D-14, 7.0800D+02 )\n! Reaction Label ROCARO26 \n RKI( NCELL, 492) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4000D-13, 7.6500D+02 )\n! Reaction Label ROCOXY1c \n RKI( NCELL, 493) = 5.9000D-11 * CFACT \n! Reaction Label ROCOXY2c \n RKI( NCELL, 494) = 6.0700D-11 * CFACT \n! Reaction Label ROCOXY3c \n RKI( NCELL, 495) = 5.5400D-11 * CFACT \n! Reaction Label ROCOXY4c \n RKI( NCELL, 496) = 5.6300D-11 * CFACT \n! Reaction Label ROCOXY5c \n RKI( NCELL, 497) = 5.4600D-11 * CFACT \n! Reaction Label ROCOXY6c \n RKI( NCELL, 498) = 4.5000D-11 * CFACT \n! Reaction Label ROCOXY7c \n RKI( NCELL, 499) = 5.1700D-11 * CFACT \n! Reaction Label ROCOXY8c \n RKI( NCELL, 500) = 4.7300D-11 * CFACT \n! Reaction Label ROCOXY9c \n RKI( NCELL, 501) = 4.6000D-11 * CFACT \n! Reaction Label ROCOXY10c \n RKI( NCELL, 502) = 3.8000D-11 * CFACT \n! Reaction Label ROCOXY11c \n RKI( NCELL, 503) = 3.9300D-11 * CFACT \n! Reaction Label ROCOXY12c \n RKI( NCELL, 504) = 3.5200D-11 * CFACT \n! Reaction Label ROCOXY13c \n RKI( NCELL, 505) = 3.1200D-11 * CFACT \n! Reaction Label ROCOXY14c \n RKI( NCELL, 506) = 2.4000D-11 * CFACT \n! Reaction Label ROCOXY15c \n RKI( NCELL, 507) = 2.0500D-11 * CFACT \n! Reaction Label ROCOXY16c \n RKI( NCELL, 508) = 4.6900D-11 * CFACT \n\n END DO \n! Multiply rate constants by [M], [O2], [N2], [H2O], [H2], or [CH4]\n! where needed and return\n IF ( NWM .GT. 0 ) THEN\n DO NRT = 1, NWM\n IRXN = NRXWM( NRT )\n DO NCELL = 1, NUMCELLS\n RKI( NCELL,IRXN ) = RKI( NCELL,IRXN ) * ATM_AIR\n END DO\n END DO\n END IF\n IF ( NWO2 .GT. 0 ) THEN\n DO NRT = 1, NWO2\n IRXN = NRXWO2( NRT )\n DO NCELL = 1, NUMCELLS\n RKI( NCELL,IRXN ) = RKI( NCELL,IRXN ) * ATM_O2\n END DO\n END DO\n END IF\n IF ( NWN2 .GT. 0 ) THEN\n DO NRT = 1, NWN2\n IRXN = NRXWN2( NRT )\n DO NCELL = 1, NUMCELLS\n RKI( NCELL,IRXN ) = RKI( NCELL,IRXN ) * ATM_N2\n END DO\n END DO\n END IF\n IF ( NWW .GT. 0 ) THEN\n DO NRT = 1, NWW\n IRXN = NRXWW( NRT )\n DO NCELL = 1, NUMCELLS\n RKI( NCELL,IRXN ) = RKI( NCELL,IRXN ) * BLKH2O( NCELL )\n END DO\n END DO\n END IF\n IF ( NWH2 .GT. 0 ) THEN\n DO NRT = 1, NWH2\n IRXN = NRXWH2( NRT )\n DO NCELL = 1, NUMCELLS\n RKI( NCELL,IRXN ) = RKI( NCELL,IRXN ) * ATM_H2\n END DO\n END DO\n END IF\n IF ( NWCH4 .GT. 0 ) THEN\n DO NRT = 1, NWCH4\n IRXN = NRXWCH4( NRT )\n DO NCELL = 1, NUMCELLS\n RKI( NCELL,IRXN ) = RKI( NCELL,IRXN ) * ATM_CH4\n END DO\n END DO\n END IF\n RETURN\n END SUBROUTINE CALC_RCONST\n FUNCTION MAP_CHEMISTRY_SPECIES() RESULT ( SUCCESS )\n\n! Purpose find or test the CGRID Index, Species Type, and Conversion Factor\n! for the Mechanism against the CMAQ namelists\n\n USE UTILIO_DEFN\n USE CGRID_SPCS\n USE RXNS_DATA\n\n IMPLICIT NONE\n\n!Parameters:\n CHARACTER( 1 ), PARAMETER :: BL = ' '\n INTEGER, PARAMETER :: SPC_DIM = 200\n!Local:\n\n LOGICAL SUCCESS\n INTEGER I, IOS, J\n INTEGER I1, I2, I3, I4 ! SURROGATE TYPE 1 COUNTERS\n INTEGER J1, J2 ! SURROGATE TYPE 2 COUNTERS\n INTEGER K1, K2, K3, K4, K5 ! CONTROL TYPE COUNTERS\n INTEGER ICALL\n\n LOGICAL :: ORDER = .TRUE.\n LOGICAL :: FOUND = .TRUE.\n\n CHARACTER( 120 ) :: XMSG\n\n CHARACTER( 16 ), ALLOCATABLE :: CGRID_SPC ( : )\n CHARACTER( 16 ), ALLOCATABLE :: NML_SPC ( : )\n CHARACTER( 2 ), ALLOCATABLE :: NML_TYPE ( : )\n INTEGER, ALLOCATABLE :: NML_INDEX ( : )\n LOGICAL, ALLOCATABLE :: NML_CONVERT( : )\n REAL, ALLOCATABLE :: NML_MOLWT ( : )\n REAL :: DELTA ! fractional difference\n\n LOGICAL, SAVE :: INITIALIZED = .FALSE.\n\n IF( INITIALIZED )RETURN\n\n INITIALIZED = .TRUE.\n SUCCESS = .TRUE.\n\n\n ALLOCATE ( CGRID_SPC( NSPCSD - 1 ), &\n & NML_SPC ( NSPCSD - 1 ), &\n & NML_INDEX( NSPCSD - 1 ), &\n & NML_TYPE( NSPCSD - 1 ), &\n & NML_CONVERT( NSPCSD - 1 ), &\n & NML_MOLWT( NSPCSD - 1 ), &\n & STAT = IOS )\n\n\n J = 0\n\n\n NML_INDEX = -1\n TYPE_INDEX = -1\n NML_TYPE = '??'\n NML_CONVERT = .FALSE.\n\n DO I = 1, N_GC_SPC ! load gc names and indices\n J = J + 1\n CGRID_SPC( I ) = GC_SPC( I )\n NML_INDEX( J ) = I + GC_STRT -1\n NML_TYPE( J ) = 'GC'\n NML_MOLWT( J ) = GC_MOLWT( I )\n END DO\n\n DO I = 1, N_AE_SPC ! load ae names and indices\n J = J + 1\n CGRID_SPC( J ) = AE_SPC( I )\n NML_INDEX( J ) = I + AE_STRT - 1\n NML_TYPE( J ) = 'AE'\n NML_CONVERT( J ) = .TRUE.\n NML_MOLWT( J ) = AE_MOLWT( I )\n END DO\n\n DO I = 1, N_NR_SPC ! load nr names and indices\n J = J + 1\n CGRID_SPC( J ) = NR_SPC( I )\n NML_INDEX( J ) = I + NR_STRT - 1\n NML_TYPE( J ) = 'NR'\n NML_MOLWT( J ) = NR_MOLWT( I )\n END DO\n\n DO I = 1, N_TR_SPC ! load tr names and indices\n J = J + 1\n CGRID_SPC( J ) = TR_SPC( I )\n NML_INDEX( J ) = I + TR_STRT - 1\n NML_TYPE( J ) = 'TR'\n NML_MOLWT( J ) = TR_MOLWT( I )\n END DO\n\n NML_SPC( 1:(NSPCSD-1) ) = CGRID_SPC( 1:(NSPCSD-1) )\n\n\n! determine if mechanism species are in cgrid species\n\n DO I = 1, NUMB_MECH_SPC\n! set species informations arrays using SPECIES_LIST array before mapping\n CHEMISTRY_SPC( I ) = SPECIES_LIST( I )%CHEMISTRY_SPC\n CGRID_INDEX ( I ) = SPECIES_LIST( I )%CGRID_INDEX\n SPECIES_TYPE ( I ) = SPECIES_LIST( I )%SPECIES_TYPE\n CONVERT_CONC ( I ) = SPECIES_LIST( I )%CONVERT_CONC\n SPECIES_MOLWT( I ) = SPECIES_LIST( I )%SPECIES_MOLWT\n\n I1 = INDEX1R( CHEMISTRY_SPC( I ), (NSPCSD-1), CGRID_SPC )\n IF ( I1 .LT. 1 ) THEN\n FOUND = .FALSE.\n ELSE\n FOUND = .TRUE.\n IF( .NOT. MAPPED_TO_CGRID )THEN\n CGRID_INDEX( I ) = NML_INDEX( I1 )\n SPECIES_TYPE( I ) = NML_TYPE ( I1 )\n SPECIES_MOLWT( I ) = NML_MOLWT( I1 )\n CONVERT_CONC( I ) = NML_CONVERT( I1 )\n ELSE\n IF(CGRID_INDEX( I ) .NE. NML_INDEX( I1 ))THEN\n SUCCESS = .FALSE.\n XMSG = '*** For Species ' // TRIM( CHEMISTRY_SPC( I ) ) &\n & // ' cgrid index does not match mechanism value.'\n WRITE( LOGDEV,'( /5X, A )' ) TRIM( XMSG )\n WRITE( XMSG,'(A,I3,1X,I3)')'CGRID Indices: Mechanism and NML Values are ', &\n & CGRID_INDEX( I ),NML_INDEX( I1 )\n WRITE( LOGDEV,'( 5X, A )' )XMSG\n END IF\n IF(CONVERT_CONC( I ) .NEQV. NML_CONVERT( I1 ))THEN\n SUCCESS = .FALSE.\n XMSG = '*** For Species ' // TRIM( CHEMISTRY_SPC( I ) ) &\n & // ' species unit conversion flag does not match mechanism value.'\n WRITE( LOGDEV,'( /5X, A )' ) TRIM( XMSG )\n WRITE( XMSG,'(A,1X,L21X,L2)')'CONVERSION FLAGS: Mechanism and NML Values are ', &\n & CONVERT_CONC( I ),NML_CONVERT( I1 )\n WRITE( LOGDEV,'( 5X, A )' )XMSG\n WRITE( XMSG,'(A,1X,A3,1X,A3)')'SPECIES TYPE: Mechanism and NML Values are ', &\n & SPECIES_TYPE( I ),NML_TYPE( I1 )\n WRITE( LOGDEV,'( 5X, A )' )XMSG\n END IF\n DELTA = ( SPECIES_MOLWT( I ) - NML_MOLWT( I1 ) )/MAX(NML_MOLWT( I1 ),1.0E-20)\n IF( ABS( DELTA ) .GE. 0.05 )THEN\n IF( CONVERT_CONC( I ) )SUCCESS = .FALSE.\n XMSG = '*** For Species ' // TRIM( CHEMISTRY_SPC( I ) ) &\n & // ' species molecular weight does not match mechanism value.'\n WRITE( LOGDEV,'( /5X, A )' ) TRIM( XMSG )\n WRITE( XMSG,'(A,2(ES12.4,1X))')'Molecular Weight: Mechanism and NML Values are ', &\n & SPECIES_MOLWT( I ), NML_MOLWT( I1 )\n WRITE( LOGDEV,'( 5X, A )' )XMSG\n END IF\n END IF\n END IF\n IF( INDEX( CHEMISTRY_SPC( I ), 'SRF') .GT. 0 )THEN\n SUCCESS = .FALSE.\n XMSG = '*** reactions cannot use modal aerosol surface area as species'\n WRITE( LOGDEV,'( /5X, A )' ) TRIM( XMSG )\n XMSG = TRIM( CHEMISTRY_SPC( I ) )\n WRITE( LOGDEV,'( 2X, A )' ) TRIM( XMSG )\n END IF\n IF( INDEX( CHEMISTRY_SPC( I ), 'NUM') .GT. 0 )THEN\n SUCCESS = .FALSE.\n XMSG = '*** reactions cannot use modal aerosol number density as species'\n WRITE( LOGDEV,'( /5X, A )' ) TRIM( XMSG )\n XMSG = TRIM( CHEMISTRY_SPC( I ) )\n WRITE( LOGDEV,'( 2X, A )' ) TRIM( XMSG )\n END IF\n IF ( .NOT. FOUND ) THEN\n XMSG = 'Fatal error: Mechanism Species found not in species namelist:'\n WRITE( LOGDEV,'( /5X, A )', ADVANCE = 'NO' ) TRIM( XMSG )\n XMSG = TRIM( CHEMISTRY_SPC( I ) )\n WRITE( LOGDEV,'( 2X, A )' ) TRIM( XMSG )\n SUCCESS = .FALSE.\n END IF\n END DO\n\n IF( SUCCESS )RETURN\n\n WRITE(LOGDEV,99901)TRIM( MECHNAME )\n XMSG = 'The FATAL errors found in namelist used. Check ' &\n & // 'the log of exiting processor if more details are needed.'\n CALL M3WARN('MAP_CHEMISTRY_SPECIES',0,0,XMSG)\n\n\n99901 FORMAT( / 'FATAL error(s) found in the namelists used. Check that ' &\n & / 'these namelists contain the above data as the respective files ' &\n & / 'in the respository version of the mechanism: ' , A )\n\n RETURN\n\n END FUNCTION MAP_CHEMISTRY_SPECIES\n!----------------------------------------------------------------------------------------\n INTEGER FUNCTION INDEX1R ( NAME, N, NLIST )\n IMPLICIT NONE\n CHARACTER( * ) NAME ! character string being searched for\n INTEGER N ! length of array to be searched\n CHARACTER( * ) NLIST( : ) ! array to be searched\n\n INTEGER I\n\n DO I = 1, N\n IF ( NAME .EQ. NLIST( I ) ) THEN\n INDEX1R = I\n RETURN\n END IF\n END DO\n INDEX1R = 0\n RETURN\n\n END FUNCTION INDEX1R\n SUBROUTINE RESET_SPECIES_POINTERS( IOLD2NEW )\n\n USE RXNS_DATA\n IMPLICIT NONE\n INTEGER, INTENT( IN ) :: IOLD2NEW( :,: ) \n\n\n INDEX_O3 = IOLD2NEW( INDEX_O3 , 1 )\n INDEX_O3P = IOLD2NEW( INDEX_O3P , 1 )\n INDEX_O1D = IOLD2NEW( INDEX_O1D , 1 )\n INDEX_H2O2 = IOLD2NEW( INDEX_H2O2 , 1 )\n INDEX_HO = IOLD2NEW( INDEX_HO , 1 )\n INDEX_NO2 = IOLD2NEW( INDEX_NO2 , 1 )\n INDEX_NO = IOLD2NEW( INDEX_NO , 1 )\n INDEX_NO3 = IOLD2NEW( INDEX_NO3 , 1 )\n INDEX_HONO = IOLD2NEW( INDEX_HONO , 1 )\n INDEX_HNO3 = IOLD2NEW( INDEX_HNO3 , 1 )\n INDEX_HNO4 = IOLD2NEW( INDEX_HNO4 , 1 )\n INDEX_HO2 = IOLD2NEW( INDEX_HO2 , 1 )\n INDEX_HCHO = IOLD2NEW( INDEX_HCHO , 1 )\n INDEX_CO = IOLD2NEW( INDEX_CO , 1 )\n INDEX_ACD = IOLD2NEW( INDEX_ACD , 1 )\n INDEX_MO2 = IOLD2NEW( INDEX_MO2 , 1 )\n INDEX_ALD = IOLD2NEW( INDEX_ALD , 1 )\n INDEX_ETHP = IOLD2NEW( INDEX_ETHP , 1 )\n INDEX_ACT = IOLD2NEW( INDEX_ACT , 1 )\n INDEX_ACO3 = IOLD2NEW( INDEX_ACO3 , 1 )\n INDEX_UALD = IOLD2NEW( INDEX_UALD , 1 )\n INDEX_KET = IOLD2NEW( INDEX_KET , 1 )\n INDEX_PINAL = IOLD2NEW( INDEX_PINAL , 1 )\n INDEX_HC10P = IOLD2NEW( INDEX_HC10P , 1 )\n INDEX_LIMAL = IOLD2NEW( INDEX_LIMAL , 1 )\n INDEX_MEK = IOLD2NEW( INDEX_MEK , 1 )\n INDEX_HKET = IOLD2NEW( INDEX_HKET , 1 )\n INDEX_MACR = IOLD2NEW( INDEX_MACR , 1 )\n INDEX_MACP = IOLD2NEW( INDEX_MACP , 1 )\n INDEX_XO2 = IOLD2NEW( INDEX_XO2 , 1 )\n INDEX_MVK = IOLD2NEW( INDEX_MVK , 1 )\n INDEX_GLY = IOLD2NEW( INDEX_GLY , 1 )\n INDEX_MGLY = IOLD2NEW( INDEX_MGLY , 1 )\n INDEX_DCB1 = IOLD2NEW( INDEX_DCB1 , 1 )\n INDEX_DCB2 = IOLD2NEW( INDEX_DCB2 , 1 )\n INDEX_BALD = IOLD2NEW( INDEX_BALD , 1 )\n INDEX_CHO = IOLD2NEW( INDEX_CHO , 1 )\n INDEX_OP1 = IOLD2NEW( INDEX_OP1 , 1 )\n INDEX_OP2 = IOLD2NEW( INDEX_OP2 , 1 )\n INDEX_OPB = IOLD2NEW( INDEX_OPB , 1 )\n INDEX_OP3 = IOLD2NEW( INDEX_OP3 , 1 )\n INDEX_PAA = IOLD2NEW( INDEX_PAA , 1 )\n INDEX_ONIT = IOLD2NEW( INDEX_ONIT , 1 )\n INDEX_PAN = IOLD2NEW( INDEX_PAN , 1 )\n INDEX_N2O5 = IOLD2NEW( INDEX_N2O5 , 1 )\n INDEX_SO2 = IOLD2NEW( INDEX_SO2 , 1 )\n INDEX_SULF = IOLD2NEW( INDEX_SULF , 1 )\n INDEX_SULRXN = IOLD2NEW( INDEX_SULRXN , 1 )\n INDEX_ETH = IOLD2NEW( INDEX_ETH , 1 )\n INDEX_HC3 = IOLD2NEW( INDEX_HC3 , 1 )\n INDEX_HC3P = IOLD2NEW( INDEX_HC3P , 1 )\n INDEX_ASOATJ = IOLD2NEW( INDEX_ASOATJ , 1 )\n INDEX_HC5 = IOLD2NEW( INDEX_HC5 , 1 )\n INDEX_HC5P = IOLD2NEW( INDEX_HC5P , 1 )\n INDEX_ETE = IOLD2NEW( INDEX_ETE , 1 )\n INDEX_ETEP = IOLD2NEW( INDEX_ETEP , 1 )\n INDEX_OLT = IOLD2NEW( INDEX_OLT , 1 )\n INDEX_OLTP = IOLD2NEW( INDEX_OLTP , 1 )\n INDEX_OLI = IOLD2NEW( INDEX_OLI , 1 )\n INDEX_OLIP = IOLD2NEW( INDEX_OLIP , 1 )\n INDEX_ACE = IOLD2NEW( INDEX_ACE , 1 )\n INDEX_ORA1 = IOLD2NEW( INDEX_ORA1 , 1 )\n INDEX_BEN = IOLD2NEW( INDEX_BEN , 1 )\n INDEX_BENP = IOLD2NEW( INDEX_BENP , 1 )\n INDEX_PHEN = IOLD2NEW( INDEX_PHEN , 1 )\n INDEX_TOL = IOLD2NEW( INDEX_TOL , 1 )\n INDEX_TOLP = IOLD2NEW( INDEX_TOLP , 1 )\n INDEX_CSL = IOLD2NEW( INDEX_CSL , 1 )\n INDEX_XYM = IOLD2NEW( INDEX_XYM , 1 )\n INDEX_XYMP = IOLD2NEW( INDEX_XYMP , 1 )\n INDEX_XYE = IOLD2NEW( INDEX_XYE , 1 )\n INDEX_XYEP = IOLD2NEW( INDEX_XYEP , 1 )\n INDEX_ISO = IOLD2NEW( INDEX_ISO , 1 )\n INDEX_ISOP = IOLD2NEW( INDEX_ISOP , 1 )\n INDEX_API = IOLD2NEW( INDEX_API , 1 )\n INDEX_APIP1 = IOLD2NEW( INDEX_APIP1 , 1 )\n INDEX_APIP2 = IOLD2NEW( INDEX_APIP2 , 1 )\n INDEX_LIM = IOLD2NEW( INDEX_LIM , 1 )\n INDEX_LIMP1 = IOLD2NEW( INDEX_LIMP1 , 1 )\n INDEX_LIMP2 = IOLD2NEW( INDEX_LIMP2 , 1 )\n INDEX_PINALP = IOLD2NEW( INDEX_PINALP , 1 )\n INDEX_RCO3 = IOLD2NEW( INDEX_RCO3 , 1 )\n INDEX_LIMALP = IOLD2NEW( INDEX_LIMALP , 1 )\n INDEX_ACTP = IOLD2NEW( INDEX_ACTP , 1 )\n INDEX_MEKP = IOLD2NEW( INDEX_MEKP , 1 )\n INDEX_KETP = IOLD2NEW( INDEX_KETP , 1 )\n INDEX_MCP = IOLD2NEW( INDEX_MCP , 1 )\n INDEX_MVKP = IOLD2NEW( INDEX_MVKP , 1 )\n INDEX_UALP = IOLD2NEW( INDEX_UALP , 1 )\n INDEX_DCB3 = IOLD2NEW( INDEX_DCB3 , 1 )\n INDEX_BALP = IOLD2NEW( INDEX_BALP , 1 )\n INDEX_ADDC = IOLD2NEW( INDEX_ADDC , 1 )\n INDEX_MCT = IOLD2NEW( INDEX_MCT , 1 )\n INDEX_MCTO = IOLD2NEW( INDEX_MCTO , 1 )\n INDEX_MOH = IOLD2NEW( INDEX_MOH , 1 )\n INDEX_EOH = IOLD2NEW( INDEX_EOH , 1 )\n INDEX_ROH = IOLD2NEW( INDEX_ROH , 1 )\n INDEX_ETEG = IOLD2NEW( INDEX_ETEG , 1 )\n INDEX_ISHP = IOLD2NEW( INDEX_ISHP , 1 )\n INDEX_IEPOX = IOLD2NEW( INDEX_IEPOX , 1 )\n INDEX_MAHP = IOLD2NEW( INDEX_MAHP , 1 )\n INDEX_ORA2 = IOLD2NEW( INDEX_ORA2 , 1 )\n INDEX_ORAP = IOLD2NEW( INDEX_ORAP , 1 )\n INDEX_PPN = IOLD2NEW( INDEX_PPN , 1 )\n INDEX_MPAN = IOLD2NEW( INDEX_MPAN , 1 )\n INDEX_TRPN = IOLD2NEW( INDEX_TRPN , 1 )\n INDEX_HOM = IOLD2NEW( INDEX_HOM , 1 )\n INDEX_NALD = IOLD2NEW( INDEX_NALD , 1 )\n INDEX_ISON = IOLD2NEW( INDEX_ISON , 1 )\n INDEX_MCTP = IOLD2NEW( INDEX_MCTP , 1 )\n INDEX_OLNN = IOLD2NEW( INDEX_OLNN , 1 )\n INDEX_OLND = IOLD2NEW( INDEX_OLND , 1 )\n INDEX_APINP1 = IOLD2NEW( INDEX_APINP1 , 1 )\n INDEX_APINP2 = IOLD2NEW( INDEX_APINP2 , 1 )\n INDEX_LIMNP1 = IOLD2NEW( INDEX_LIMNP1 , 1 )\n INDEX_LIMNP2 = IOLD2NEW( INDEX_LIMNP2 , 1 )\n INDEX_ADCN = IOLD2NEW( INDEX_ADCN , 1 )\n INDEX_VROCP4OXY2 = IOLD2NEW( INDEX_VROCP4OXY2 , 1 )\n INDEX_VROCN1OXY6 = IOLD2NEW( INDEX_VROCN1OXY6 , 1 )\n INDEX_FURANONE = IOLD2NEW( INDEX_FURANONE , 1 )\n INDEX_VROCP3OXY2 = IOLD2NEW( INDEX_VROCP3OXY2 , 1 )\n INDEX_VROCP0OXY4 = IOLD2NEW( INDEX_VROCP0OXY4 , 1 )\n INDEX_BAL1 = IOLD2NEW( INDEX_BAL1 , 1 )\n INDEX_BAL2 = IOLD2NEW( INDEX_BAL2 , 1 )\n INDEX_ELHOM = IOLD2NEW( INDEX_ELHOM , 1 )\n INDEX_VROCIOXY = IOLD2NEW( INDEX_VROCIOXY , 1 )\n INDEX_SLOWROC = IOLD2NEW( INDEX_SLOWROC , 1 )\n INDEX_ACRO = IOLD2NEW( INDEX_ACRO , 1 )\n INDEX_BDE13 = IOLD2NEW( INDEX_BDE13 , 1 )\n INDEX_BDE13P = IOLD2NEW( INDEX_BDE13P , 1 )\n INDEX_FURAN = IOLD2NEW( INDEX_FURAN , 1 )\n INDEX_FURANO2 = IOLD2NEW( INDEX_FURANO2 , 1 )\n INDEX_PROG = IOLD2NEW( INDEX_PROG , 1 )\n INDEX_SESQ = IOLD2NEW( INDEX_SESQ , 1 )\n INDEX_SESQNRO2 = IOLD2NEW( INDEX_SESQNRO2 , 1 )\n INDEX_VROCN2OXY2 = IOLD2NEW( INDEX_VROCN2OXY2 , 1 )\n INDEX_SESQRO2 = IOLD2NEW( INDEX_SESQRO2 , 1 )\n INDEX_VROCP0OXY2 = IOLD2NEW( INDEX_VROCP0OXY2 , 1 )\n INDEX_VROCP1OXY3 = IOLD2NEW( INDEX_VROCP1OXY3 , 1 )\n INDEX_AGLYJ = IOLD2NEW( INDEX_AGLYJ , 1 )\n INDEX_IEPOXP = IOLD2NEW( INDEX_IEPOXP , 1 )\n INDEX_AISO3NOSJ = IOLD2NEW( INDEX_AISO3NOSJ , 1 )\n INDEX_ASO4J = IOLD2NEW( INDEX_ASO4J , 1 )\n INDEX_AISO3OSJ = IOLD2NEW( INDEX_AISO3OSJ , 1 )\n INDEX_VROCP6ALK = IOLD2NEW( INDEX_VROCP6ALK , 1 )\n INDEX_VROCP6ALKP = IOLD2NEW( INDEX_VROCP6ALKP , 1 )\n INDEX_VROCP5ALK = IOLD2NEW( INDEX_VROCP5ALK , 1 )\n INDEX_VROCP5ALKP = IOLD2NEW( INDEX_VROCP5ALKP , 1 )\n INDEX_VROCP4ALK = IOLD2NEW( INDEX_VROCP4ALK , 1 )\n INDEX_VROCP4ALKP = IOLD2NEW( INDEX_VROCP4ALKP , 1 )\n INDEX_VROCP3ALK = IOLD2NEW( INDEX_VROCP3ALK , 1 )\n INDEX_VROCP3ALKP = IOLD2NEW( INDEX_VROCP3ALKP , 1 )\n INDEX_VROCP2ALK = IOLD2NEW( INDEX_VROCP2ALK , 1 )\n INDEX_VROCP2ALKP = IOLD2NEW( INDEX_VROCP2ALKP , 1 )\n INDEX_VROCP1ALK = IOLD2NEW( INDEX_VROCP1ALK , 1 )\n INDEX_VROCP1ALKP = IOLD2NEW( INDEX_VROCP1ALKP , 1 )\n INDEX_HC10 = IOLD2NEW( INDEX_HC10 , 1 )\n INDEX_VROCP6ALKP2 = IOLD2NEW( INDEX_VROCP6ALKP2, 1 )\n INDEX_VROCP5ALKP2 = IOLD2NEW( INDEX_VROCP5ALKP2, 1 )\n INDEX_VROCP4ALKP2 = IOLD2NEW( INDEX_VROCP4ALKP2, 1 )\n INDEX_VROCP2OXY2 = IOLD2NEW( INDEX_VROCP2OXY2 , 1 )\n INDEX_VROCP3ALKP2 = IOLD2NEW( INDEX_VROCP3ALKP2, 1 )\n INDEX_VROCP1OXY1 = IOLD2NEW( INDEX_VROCP1OXY1 , 1 )\n INDEX_VROCP2ALKP2 = IOLD2NEW( INDEX_VROCP2ALKP2, 1 )\n INDEX_VROCP1ALKP2 = IOLD2NEW( INDEX_VROCP1ALKP2, 1 )\n INDEX_VROCN1OXY1 = IOLD2NEW( INDEX_VROCN1OXY1 , 1 )\n INDEX_HC10P2 = IOLD2NEW( INDEX_HC10P2 , 1 )\n INDEX_VROCP6ARO = IOLD2NEW( INDEX_VROCP6ARO , 1 )\n INDEX_VROCP6AROP = IOLD2NEW( INDEX_VROCP6AROP , 1 )\n INDEX_VROCN2OXY4 = IOLD2NEW( INDEX_VROCN2OXY4 , 1 )\n INDEX_VROCN1OXY3 = IOLD2NEW( INDEX_VROCN1OXY3 , 1 )\n INDEX_VROCP5ARO = IOLD2NEW( INDEX_VROCP5ARO , 1 )\n INDEX_VROCP5AROP = IOLD2NEW( INDEX_VROCP5AROP , 1 )\n INDEX_NAPH = IOLD2NEW( INDEX_NAPH , 1 )\n INDEX_NAPHP = IOLD2NEW( INDEX_NAPHP , 1 )\n INDEX_VROCN2OXY8 = IOLD2NEW( INDEX_VROCN2OXY8 , 1 )\n INDEX_VROCP5OXY1 = IOLD2NEW( INDEX_VROCP5OXY1 , 1 )\n INDEX_VROCP6OXY1 = IOLD2NEW( INDEX_VROCP6OXY1 , 1 )\n END SUBROUTINE RESET_SPECIES_POINTERS\n END MODULE RXNS_FUNCTION\n" }, { "path": "CCTM/src/MECHS/cracmm1_aq/SpecDef_Conc_cracmm1_aq.txt", "content": "!#start YYYYJJJ 010000\n!#end YYYYJJJ 000000\n#layer 1\n\n/\n! This Species Definition File is for Use with the COMBINE tool built for \n! post-processing CMAQ output. It is compatible with CMAQv5.2.\n! Date: May 12 2017\n\n! Output variables that begin with 'PM' represent those in which a size cut was \n! applied based on modeled aerosol mode parameters. For example, PM25_NA is all \n! sodium that falls below 2.5 um diameter. These 'PM' variables are used for \n! comparisons at IMPROVE and CSN sites.\n\n! Output variables that begin with 'PMAMS' represent the mass that would have\n! been detected by an Aerosol Mass Spectrometer.\n\n! Output variables beginning with 'A' (aside from AIR_DENS) represent a \n! combination of aerosol species in which no size cut was applied. For example, \n! ASO4IJ is the sum of i-mode and j-mode sulfate. These 'A' variables are used \n! for comparisons at CASTNet sites.\n\n! Output variables beginning with 'PMC' refer to the coarse fraction of total PM,\n! computed by summing all modes and subtracting the PM2.5 fraction. These 'PMC'\n! variables are used for comparisons at SEARCH sites.\n\n! This Species Definition File is just for use with the uncoupled, offline CMAQ,\n! model. If you are processing WRF-CMAQ results, a different Species Definition\n! file is required.\n\n/ File [1]: CMAQ conc/aconc file\n/ File [2]: METCRO3D file\n/ File [3]: ELMO/AELMO file\n/ File [4]: METCRO2D file\n/\n/new species ,units ,expression\n \n!-------------------------------------------!\n!------------- Meteorology -----------------!\n!-------------------------------------------!\nAIR_DENS ,kg m-3 ,DENS[2]\nRH ,% ,100.00*RH[3]\nSFC_TMP ,C ,(TEMP2[4]-273.15)\nPBLH ,m ,PBL[4]\nSOL_RAD ,W m-2 ,RGRND[4]\nprecip ,cm ,RC[4]>=0 ? RN[4]+RC[4] : RN[4]\nWSPD10 ,m s-1 ,WSPD10[4]\nWDIR10 ,deg ,WDIR10[4]\n\n!-------------------------------------------!\n!--------------- Gases ---------------------!\n!-------------------------------------------!\nCO ,ppbV ,1000.0*CO[1]\nH2O2 ,ppbV ,1000.0*H2O2[1]\nHNO3 ,ppbV ,1000.0*HNO3[1]\nHNO3_UGM3 ,ug m-3 ,1000.0*(HNO3[1]*2.1756*DENS[2]) \nHONO ,ppbV ,1000.0*HONO[1]\nHOX ,ppbV ,1000.0*(HO[1]+HO2[1])\nOH ,ppbV ,1000.0*HO[1]\nN2O5 ,ppbV ,1000.0*N2O5[1]\nNH3 ,ppbV ,1000.0*NH3[1]\nNH3_UGM3 ,ug m-3 ,1000.0*(NH3[1]*0.5880*DENS[2])\nNHX ,ug m-3 ,1000.0*(NH3[1]*0.5880*DENS[2])+ANH4I[1]+ANH4J[1]+ANH4K[1]\nNO ,ppbV ,1000.0*NO[1]\nNO2 ,ppbV ,1000.0*NO2[1]\nNOX ,ppbV ,1000.0*(NO[1] + NO2[1])\nANO3_PPB ,ppbV ,(ANO3I[1]+ANO3J[1]+ANO3K[1])/(DENS[2]*(62.0/28.97))\nNTR ,ppbV ,1000.0*(ONIT[1]+ISON[1]+TRPN[1]+NALD[1]), organic nitrates in RACM2\nPANS ,ppbV ,1000.0*(PAN[1]+PPN[1]+MPAN[1])\nNOY ,ppbV ,1000.0*(NO[1]+NO2[1]+NO3[1]+2*N2O5[1]+HONO[1] \\\n +HNO3[1]+HNO4[1]+PAN[1]+PPN[1]+MPAN[1] \\\n +ISON[1]+TRPN[1]+ONIT[1]+NALD[1])+ANO3_PPB[0]\nO3 ,ppbV ,1000.0*O3[1]\nSO2 ,ppbV ,1000.0*SO2[1]\nSO2_UGM3 ,ug m-3 ,1000.0*(SO2[1]*2.2118*DENS[2])\nTERP ,ppbV ,1000.0*(API[1]+LIM[1]), a-pinene and limonene monoterpenes in RACM2\n\n! Deprecate these names in future\nETH ,ppbV ,1000.0*ETE[1], ethene is ETE in RACM2\nETHA ,ppbV ,1000.0*ETH[1], ethane is ETH in RACM2\nALD2 ,ppbV ,1000.0*ACD[1], acetaldehyde is ACD in RACM2\nFORM ,ppbV ,1000.0*HCHO[1], formaldehyde is HCHO RACM2\nISOP ,ppbV ,1000.0*ISO[1], isoprene is ISO in RACM2\nTOL ,ppbV ,1000.0*TOL[1]\n\n! Hydrocarbons for evaluation. Note an \"s\" on the end indicates a collection of species from AQS\nACETALDEHYDE ,ppbV ,1000.0*ACD[1]\nACETYLENE ,ppbV ,1000.0*ACE[1]\nACROLEIN ,ppbV ,1000.0*ACRO[1]\nACETONE ,ppbV ,1000.0*ACT[1]\nBUTADIENE13 ,ppbV ,1000.0*BDE13[1]\nBENZENE ,ppbV ,1000.0*BEN[1]\nETHYLENE ,ppbV ,1000.0*ETE[1], ethene is ETE in RACM2\nETHANE ,ppbV ,1000.0*ETH[1], ethane is ETH in RACM2\nISOPRENE ,ppbV ,1000.0*ISO[1], isoprene is ISO in RACM2\nFORMALDEHYDE ,ppbV ,1000.0*HCHO[1], formaldehyde is HCHO RACM2\nMEKETONE ,ppbV ,1000.0*MEK[1]\nTOLUENE ,ppbV ,1000.0*TOL[1]\nXYLENES ,ppbV ,1000.0*(XYE[1]+XYM[1])\nHCPROPANES ,ppbV ,1000.0*(HC3[1])\nHCPENTANES ,ppbV ,1000.0*(HC5[1])\nHCDECANES ,ppbV ,1000.0*(HC10[1]), formerly HC8\nOLEFINS ,ppbV ,1000.0*(OLI[1]+OLT[1])\nABPINENES ,ppbV ,1000.0*(API[1])\n\n!! Unused Gases. Presented Here for illustration. Users can uncomment\n!! them if they choose.\nALDX ,ppbV ,1000.0*ALD[1], C3 and higher aldehydes is ALD in RACM2\n!NOZ ,ppbV ,NOY[0]-NOX[0]\n!SULF ,ppbV ,1000.0*SULF[1]\n! SIGROC: S/IVOC alk and oxy gas species\nLSIVROC ,ppbC ,1000.0* (9.5*VROCIOXY[1] \\\n +14.0*VROCP5ARO[1]+13.0*VROCP6ARO[1] \\\n +30.0*VROCN2ALK[1]+29.0*VROCN1ALK[1] \\\n +28.0*VROCP0ALK[1]+27.0*VROCP1ALK[1] \\\n +24.0*VROCP2ALK[1]+21.0*VROCP3ALK[1] \\\n +18.0*VROCP4ALK[1]+14.0*VROCP5ALK[1] \\\n +13.0*VROCP6ALK[1]\\\n +17.0*VROCN2OXY2[1]+11.0*VROCN2OXY4[1] \\ \n +7.0*VROCN2OXY8[1]+20.0*VROCN1OXY1[1] \\ \n +12.0*VROCN1OXY3[1]+8.0*VROCN1OXY6[1] \\ \n +14.0*VROCP0OXY2[1]+10.0*VROCP0OXY4[1] \\ \n +17.0*VROCP1OXY1[1]+11.0*VROCP1OXY3[1] \\ \n +12.0*VROCP2OXY2[1]+11.0*VROCP3OXY2[1] \\ \n +9.0*VROCP4OXY2[1]+11.0*VROCP5OXY1[1] \\ \n +9.0*VROCP6OXY1[1] ), \n! VROC: Total gas-phase (vapor) reactive organic carbon (stable species only) \nVROC ,ppbC ,1000.0*(2.0*ACD[1]+2.0*ACE[1] \\\n +3.0*ACRO[1]+3.0*ACT[1]+3.0*ALD[1]+10*API[1] \\\n +7.0*BALD[1]+4.0*BDE13[1]+6.0*BEN[1] \\\n +9.0*CSL[1]+5.0*DCB1[1]+6.0*DCB2[1]+4.0*DCB3[1] \\\n +20.0*ELHOM[1] \\\n +2.0*EOH[1]+2.0*ETE[1]+2.0*ETEG[1]+2.0*ETH[1] \\\n +5.0*FURAN[1]+4.0*FURANONE[1]+2.0*GLY[1]+10.0*HOM[1] \\\n +3.0*HC3[1]+5.0*HC5[1]+10.0*HC10[1] \\\n +1.0*HCHO[1]+3.0*HKET[1] \\\n +5.0*IEPOX[1]+5.0*ISHP[1]+5.0*ISO[1]+5.0*KET[1] \\\n +10.0*LIM[1]+10.0*LIMAL[1]+4.0*MACR[1]+4*MAHP[1] \\\n +7.0*MCT[1] \\\n +4.0*MEK[1]+3.0*MGLY[1]+1.0*MOH[1]+4.0*MVK[1] \\\n +10.0*NAPH[1]+5.0*OLI[1]+3.0*OLT[1] \\\n +1.0*OP1[1]+2.0*OP2[1]+8.0*OP3[1]+10.0*OPB[1] \\\n +1.0*ORA1[1]+2.0*ORA2[1] \\\n +10.0*PINAL[1] \\\n +6.0*PHEN[1]+3.0*PROG[1] \\\n +3.0*ROH[1]+15.0*SESQ[1]+2.1*SLOWROC[1] \\\n +7.0*TOL[1]+5.0*UALD[1] \\\n +8.0*XYM[1]+8.0*XYE[1] \\\n +2.0*PAA[1]+2.0*PAN[1]+3.0*PPN[1]+4.0*MPAN[1] \\ \n +4.0*ONIT[1]+2.0*NALD[1]+5.0*ISON[1]+10.0*TRPN[1] ) \\ \n +LSIVROC[0] ,\n\n!-------------------------------------------!\n!--------------- Particles -----------------!\n!-------------------------------------------!\n!! Crustal Elements\nAFEJ ,ug m-3 ,AFEJ[1]\nAALJ ,ug m-3 ,AALJ[1]\nASIJ ,ug m-3 ,ASIJ[1]\nATIJ ,ug m-3 ,ATIJ[1]\nACAJ ,ug m-3 ,ACAJ[1]\nAMGJ ,ug m-3 ,AMGJ[1]\nAKJ ,ug m-3 ,AKJ[1]\nAMNJ ,ug m-3 ,AMNJ[1]\nASOILJ ,ug m-3 ,2.20*AALJ[1]+2.49*ASIJ[1]+1.63*ACAJ[1]+2.42*AFEJ[1]+1.94*ATIJ[1]\n\n!! Non-Crustal Inorganic Particle Species\nAHPLUSIJ ,umol m-3 ,(AH3OPI[1]+AH3OPJ[1])*1.0/19.0\nANAK ,ug m-3 ,0.8373*ASEACAT[1]+0.0626*ASOIL[1]+0.0023*ACORS[1]\nAMGK ,ug m-3 ,0.0997*ASEACAT[1]+0.0170*ASOIL[1]+0.0032*ACORS[1]\nAKK ,ug m-3 ,0.0310*ASEACAT[1]+0.0242*ASOIL[1]+0.0176*ACORS[1]\nACAK ,ug m-3 ,0.0320*ASEACAT[1]+0.0838*ASOIL[1]+0.0562*ACORS[1]\nACLIJ ,ug m-3 ,ACLI[1]+ACLJ[1]\nAECIJ ,ug m-3 ,AECI[1]+AECJ[1]\nANAIJ ,ug m-3 ,ANAJ[1]+ANAI[1]\nANO3IJ ,ug m-3 ,ANO3I[1]+ANO3J[1]\nANO3K ,ug m-3 ,ANO3K[1]\nTNO3 ,ug m-3 ,2175.6*(HNO3[1]*DENS[2])+ANO3I[1]+ANO3J[1]+ANO3K[1]\nANH4IJ ,ug m-3 ,ANH4I[1]+ANH4J[1]\nANH4K ,ug m-3 ,ANH4K[1]\nASO4IJ ,ug m-3 ,ASO4I[1]+ASO4J[1]\nASO4K ,ug m-3 ,ASO4K[1]\n\n!! Organic Particle Species\n! Why is there an APOCI and APOCJ in the output? It doesn't match below \nAPOCI ,ugC m-3, AROCN2ALKI[1]/1.39 + AROCN1ALKI[1]/1.32 \\\n + AROCP0ALKI[1]/1.17 + AROCP1ALKI[1]/1.17\nAPOCJ ,ugC m-3, AROCN2ALKJ[1]/1.39 + AROCN1ALKJ[1]/1.32 \\\n + AROCP0ALKJ[1]/1.17 + AROCP1ALKJ[1]/1.17 \\\n + AROCP2ALKJ[1]/1.17 + AROCP3ALKJ[1]/1.17\nAPOCIJ ,ugC m-3, APOCI[0] + APOCJ[0]\n\nAPOMI ,ug m-3, AROCN2ALKI[1] + AROCN1ALKI[1] \\\n + AROCP0ALKI[1] + AROCP1ALKI[1] + APNCOMI[1]\nAPOMJ ,ug m-3, AROCN2ALKJ[1] + AROCN1ALKJ[1] + AROCP0ALKJ[1] \\\n + AROCP1ALKJ[1] + AROCP2ALKJ[1] + AROCP3ALKJ[1] + APNCOMJ[1]\nAPOMIJ ,ug m-3, APOMI[0] + APOMJ[0]\nASOCI ,ugC m-3, AROCN2OXY2I[1]/1.42 + AROCN2OXY4I[1]/1.67 \\\n + AROCN2OXY8I[1]/2.17 + AROCN1OXY1I[1]/1.29 \\\n + AROCN1OXY3I[1]/1.54 + AROCN1OXY6I[1]/1.92 \\\n + AROCP0OXY2I[1]/1.42 + AROCP0OXY4I[1]/1.67 \\\n + AROCP1OXY1I[1]/1.29 + AROCP1OXY3I[1]/1.54\nASOCJ ,ugC m-3, AHOMJ[1]/2.08 + AELHOMJ[1]/1.67 + AISO3NOSJ[1]/2.27 \\\n + AISO3OSJ[1]/3.6 + AGLYJ[1]/2.13 + AORGCJ[1]/2 \\\n + AOP3J[1]/1.92 + ASOATJ[1]/2.31 + AROCN2OXY2J[1]/1.42 \\\n + AROCN2OXY4J[1]/1.67 + AROCN2OXY8J[1]/2.17 + AROCN1OXY1J[1]/1.29 \\\n + AROCN1OXY3J[1]/1.54 + AROCN1OXY6J[1]/1.92 + AROCP0OXY2J[1]/1.42 \\\n + AROCP0OXY4J[1]/1.67 + AROCP1OXY1J[1]/1.29 + AROCP1OXY3J[1]/1.54 \\\n + AROCP2OXY2J[1]/1.42 + AROCP3OXY2J[1]/1.42 \nASOCIJ ,ugC m-3, ASOCI[0] + ASOCJ[0]\n\nASOMI ,ug m-3, AROCN2OXY2I[1] + AROCN2OXY4I[1] \\\n + AROCN2OXY8I[1] + AROCN1OXY1I[1] \\\n + AROCN1OXY3I[1] + AROCN1OXY6I[1] \\\n + AROCP0OXY2I[1] + AROCP0OXY4I[1] \\\n + AROCP1OXY1I[1] + AROCP1OXY3I[1]\nASOMJ ,ug m-3, AHOMJ[1] + AELHOMJ[1] + AISO3NOSJ[1] \\\n + AISO3OSJ[1] + AGLYJ[1] + AORGCJ[1] \\\n + AOP3J[1] + ASOATJ[1] + AROCN2OXY2J[1] \\\n + AROCN2OXY4J[1] + AROCN2OXY8J[1] + AROCN1OXY1J[1] \\\n + AROCN1OXY3J[1] + AROCN1OXY6J[1] + AROCP0OXY2J[1] \\\n + AROCP0OXY4J[1] + AROCP1OXY1J[1] + AROCP1OXY3J[1] \\\n + AROCP2OXY2J[1] + AROCP3OXY2J[1]\n\nASOMIJ ,ug m-3 ,ASOMI[0] + ASOMJ[0]\n \nAOCI ,ugC m-3 ,APOCI[0] + ASOCI[0]\nAOCJ ,ugC m-3 ,APOCJ[0] + ASOCJ[0]\n\nAOCIJ ,ugC m-3 ,APOCIJ[0] + ASOCIJ[0]\n\n\nAOMI ,ug m-3 ,APOMI[0] + ASOMI[0]\nAOMJ ,ug m-3 ,APOMJ[0] + ASOMJ[0]\n\nAOMIJ ,ug m-3 ,APOMIJ[0] + ASOMIJ[0]\n\n!!! Anthropogenic-VOC Derived Organic Aerosol\nAORGAI ,ug m-3 ,AROCN2OXY2I[1]+AROCN2OXY4I[1]+AROCN2OXY8I[1]+AROCN1OXY1I[1] \\\n +AROCN1OXY3I[1]+AROCN1OXY6I[1]+AROCP0OXY2I[1]+AROCP0OXY4I[1] \\\n +AROCP1OXY1I[1]+AROCP1OXY3I[1]\n \nAORGAJ ,ug m-3 ,AROCN2OXY2J[1]+AROCN2OXY4J[1]+AROCN2OXY8J[1]+AROCN1OXY1J[1] \\\n +AROCN1OXY3J[1]+AROCN1OXY6J[1]+AROCP0OXY2J[1]+AROCP0OXY4J[1] \\\n +AROCP1OXY1J[1]+AROCP1OXY3J[1]+AROCP2OXY2J[1]+AROCP3OXY2J[1] \\\n +AOP3J[1] +ASOATJ[1]\nAORGAIJ ,ug m-3 ,AORGAI[0] + AORGAJ[0]\n\n!!! Biogenic-VOC Derived Organic Aerosol\nAORGBIJ ,ug m-3 ,AISO3NOSJ[1] +AISO3OSJ[1] +AHOMJ[1] + AELHOMJ[1]\n\n!!! Cloud-Processed SOA\nAORGCJ ,ug m-3 ,AORGCJ[1]\n!!! Remaining SOA\nAGLYJ ,ug m-3 ,AGLYJ[1]\n\n!!! OM/OC ratios\nAOMOCRAT_TOT , ,AOMIJ[0]/AOCIJ[0]\n\n!! Total PM Aggregates\nATOTI ,ug m-3 ,ASO4I[1] + ANH4I[1] + ANO3I[1] + ANAI[1] \\\n +ACLI[1] + AECI[1] + AOMI[0] + AOTHRI[1] \nATOTJ ,ug m-3 ,ASO4J[1] + ANH4J[1] + ANO3J[1] + ANAJ[1] \\\n +ACLJ[1] + AECJ[1] + AOMJ[0] + AOTHRJ[1] \\\n +AFEJ[1] + AALJ[1] + ASIJ[1] + ATIJ[1] \\\n +ACAJ[1] + AMGJ[1] + AKJ[1] + AMNJ[1] \n \nATOTK ,ug m-3 ,ASO4K[1] + ANH4K[1] + ANO3K[1] + ACLK[1] \\\n +ACORS[1] + ASOIL[1] + ASEACAT[1] \nATOTIJ ,ug m-3 ,ATOTI[0] + ATOTJ[0] \nATOTIJK ,ug m-3 ,ATOTI[0] + ATOTJ[0] + ATOTK[0]\n\n!! Unspeciated PM including non-carbon organic mass\nAUNSPEC1IJ ,ug m-3 ,ATOTIJ[0] - (ASO4IJ[0] + ANO3IJ[0] \\\n +ANH4IJ[0] + ACLIJ[0] \\\n +ANAIJ[0] + AECIJ[0] \\\n +AOCIJ[0] + ASOILJ[0]) \n!! Non-Carbon Organic Mass\nANCOMIJ ,ug m-3 ,AOMIJ[0] - AOCIJ[0]\n\n!! Unspeciated PM excluding non-carbon organic mass\nAUNSPEC2IJ ,ug m-3 ,AUNSPEC1IJ[0] - ANCOMIJ[0]\n\n!! AMS Projection of Output Concentrations\nPMAMS_CL ,ug m-3 ,ACLI[1] *FAMSAIT[3] +ACLJ[1]*FAMSACC[3]+ACLK[1] *FAMSCOR[3]\nPMAMS_NH4 ,ug m-3 ,ANH4I[1]*FAMSAIT[3]+ANH4J[1]*FAMSACC[3]+ANH4K[1]*FAMSCOR[3]\nPMAMS_NO3 ,ug m-3 ,ANO3I[1]*FAMSAIT[3]+ANO3J[1]*FAMSACC[3]+ANO3K[1]*FAMSCOR[3]\nPMAMS_OA ,ug m-3 ,AOMI[0] *FAMSAIT[3]+AOMJ[0] *FAMSACC[3]\nPMAMS_SO4 ,ug m-3 ,ASO4I[1]*FAMSAIT[3]+ASO4J[1]*FAMSACC[3]+ASO4K[1]*FAMSCOR[3]\n\n!! PM1 Cutoff Output\nPM1_TOT ,ug m-3 ,ATOTI[0]*FPM1AIT[3]+ATOTJ[0]*FPM1ACC[3]+ATOTK[0]*FPM1COR[3]\n\n!! Unused PM1 Species. Included Here for demonstration\n!PM1_EC ,ug m-3 ,AECI[1] *FPM1AIT[3] +AECJ[1] *FPM1ACC[3]\n!PM1_OC ,ugC m-3 ,AOCI[0] *FPM1AIT[3] +AOCJ[0] *FPM1ACC[3]\n!PM1_OM ,ug m-3 ,AOMI[0] *FPM1AIT[3] +AOMJ[0] *FPM1ACC[3]\n!PM1_SO4 ,ug m-3 ,ASO4I[1]*FPM1AIT[3] +ASO4J[1]*FPM1ACC[3] +ASO4K[1]*FPM1COR[3]\n!PM1_CL ,ug m-3 ,ACLI[1] *FPM1AIT[3] +ACLJ[1] *FPM1ACC[3] +ACLK[1] *FPM1COR[3]\n!PM1_NA ,ug m-3 ,ANAI[1] *FPM1AIT[3] +ANAJ[1] *FPM1ACC[3] +ANAK[0] *FPM1COR[3]\n!PM1_MG ,ug m-3 , AMGJ[1] *FPM1ACC[3] +AMGK[0] *FPM1COR[3]\n!PM1_K ,ug m-3 , AKJ[1] *FPM1ACC[3] +AKK[0] *FPM1COR[3]\n!PM1_CA ,ug m-3 , ACAJ[1] *FPM1ACC[3] +ACAK[0] *FPM1COR[3]\n!PM1_NH4 ,ug m-3 ,ANH4I[1] *FPM1AIT[3]+ANH4J[1]*FPM1ACC[3] +ANH4K[1]*FPM1COR[3]\n!PM1_NO3 ,ug m-3 ,ANO3I[1] *FPM1AIT[3]+ANO3J[1]*FPM1ACC[3] +ANO3K[1]*FPM1COR[3] \n!PM1_SOIL ,ug m-3 ,ASOILJ[0]*FPM1ACC[3]+(ASOIL[1]+ACORS[1])*FPM1COR[3]\n!PM1_UNSPEC1 ,ug m-3 ,PM1_TOT[0] - (PM1_CL[0] + PM1_EC[0]+ PM1_NA[0] + PM1_NH4[0] + \\\n! PM1_NO3[0]+ PM1_OC[0]+ PM1_SOIL[0]+ PM1_SO4[0] ) \n!PM1_UNSPCRS ,ug m-3 ,ATOTK[0] *FPM1COR[3] - (ASO4K[1]*FPM1COR[3] \\\n! +ACLK[1]*FPM1COR[3] \\\n! +ANAK[0]*FPM1COR[3] \\\n! +AMGK[0]*FPM1COR[3] \\\n! +AKK[0]*FPM1COR[3] \\\n! +ACAK[0]*FPM1COR[3] \\\n! +ANH4K[1]*FPM1COR[3] \\\n! +ANO3K[1]*FPM1COR[3]) \n \n!! PM2.5 species computed using modeled size distribution\nPM25_HP ,ug m-3 ,(AH3OPI[1]*FPM25AIT[3]+AH3OPJ[1]*FPM25ACC[3]+AH3OPK[1]*FPM25COR[3])*1.0/19.0\nPM25_CL ,ug m-3 ,ACLI[1]*FPM25AIT[3]+ACLJ[1]*FPM25ACC[3]+ACLK[1]*FPM25COR[3]\nPM25_EC ,ug m-3 ,AECI[1]*FPM25AIT[3]+AECJ[1]*FPM25ACC[3]\nPM25_NA ,ug m-3 ,ANAI[1]*FPM25AIT[3]+ANAJ[1]*FPM25ACC[3]+ANAK[0]*FPM25COR[3]\nPM25_MG ,ug m-3 , AMGJ[1]*FPM25ACC[3]+AMGK[0]*FPM25COR[3]\nPM25_K ,ug m-3 , AKJ[1] *FPM25ACC[3]+AKK[0] *FPM25COR[3]\nPM25_CA ,ug m-3 , ACAJ[1]*FPM25ACC[3]+ACAK[0]*FPM25COR[3]\nPM25_NH4 ,ug m-3 ,ANH4I[1]*FPM25AIT[3]+ANH4J[1]*FPM25ACC[3]+ANH4K[1]*FPM25COR[3]\nPM25_NO3 ,ug m-3 ,ANO3I[1]*FPM25AIT[3]+ANO3J[1]*FPM25ACC[3]+ANO3K[1]*FPM25COR[3]\nPM25_OC ,ugC m-3 ,AOCI[0] *FPM25AIT[3]+AOCJ[0]*FPM25ACC[3]\nPM25_OM ,ug m-3 ,AOMI[0] *FPM25AIT[3]+AOMJ[0]*FPM25ACC[3]\nPM25_SOIL ,ug m-3 ,ASOILJ[0]*FPM25ACC[3]+ASOIL[1]*FPM25COR[3]\nPM25_SO4 ,ug m-3 ,ASO4I[1]*FPM25AIT[3]+ASO4J[1]*FPM25ACC[3]+ASO4K[1]*FPM25COR[3]\nPM25_TOT ,ug m-3 ,ATOTI[0]*FPM25AIT[3]+ATOTJ[0]*FPM25ACC[3]+ATOTK[0]*FPM25COR[3]\nPM25_UNSPEC1 ,ug m-3 ,PM25_TOT[0]-(PM25_CL[0]+PM25_EC[0]+PM25_NA[0]+PM25_NH4[0] \\\n +PM25_NO3[0]+PM25_OC[0]+PM25_SOIL[0]+PM25_SO4[0])\nPM25_UNSPCRS ,ug m-3 ,ATOTK[0]*FPM25COR[3] - (ASO4K[1]*FPM25COR[3] \\\n +ACLK[1]*FPM25COR[3] \\\n +ANAK[0]*FPM25COR[3] \\\n +AMGK[0]*FPM25COR[3] \\\n +AKK[0]*FPM25COR[3] \\\n +ACAK[0]*FPM25COR[3] \\\n +ANH4K[1]*FPM25COR[3] \\\n +ANO3K[1]*FPM25COR[3]) \n\n\n!! Fine particle acidity (pH). pH is undefined if there is no aerosol water. \n!Do not trust predictions when hourly water is <0.01 ug m-3. FINEPHF will \n!have large negative value (-9.999E36) when pH is not to be trusted.\n!AH2OIJ ,ug m-3 ,AH2OI[1]+AH2OJ[1]\n!HPMOLAL ,mol kg-1 ,AHPLUSIJ[0]/AH2OIJ[0]*1000.0\n!ACIDITYTEMP , ,-1*LOG10(HPMOLAL[0])\n!FINEPHF , ,AH2OIJ[0]>0.01 ? ACIDITYTEMP[0] : -9.999E36\n\n!! PM10.0 and Coarse-Sized Species\nPM10 ,ug m-3 ,ATOTI[0]*FPM10AIT[3]+ATOTJ[0]*FPM10ACC[3]+ATOTK[0]*FPM10COR[3]\n\nPMC_CL ,ug m-3 ,ACLI[1]*FPM10AIT[3] +ACLJ[1]*FPM10ACC[3] +ACLK[1]*FPM10COR[3] -PM25_CL[0]\nPMC_NA ,ug m-3 ,ANAI[1]*FPM10AIT[3] +ANAJ[1]*FPM10ACC[3] +ANAK[0]*FPM10COR[3] -PM25_NA[0]\nPMC_NH4 ,ug m-3 ,ANH4I[1]*FPM10AIT[3]+ANH4J[1]*FPM10ACC[3]+ANH4K[1]*FPM10COR[3]-PM25_NH4[0]\nPMC_NO3 ,ug m-3 ,ANO3I[1]*FPM10AIT[3]+ANO3J[1]*FPM10ACC[3]+ANO3K[1]*FPM10COR[3]-PM25_NO3[0]\nPMC_SO4 ,ug m-3 ,ASO4I[1]*FPM10AIT[3]+ASO4J[1]*FPM10ACC[3]+ASO4K[1]*FPM10COR[3]-PM25_SO4[0]\nPMC_TOT ,ug m-3 ,PM10[0]-PM25_TOT[0]\n\n!! FRM PM Equivalent Calculation\n!! This section calculates the FRM applicable PM species, PMIJ_FRM and\n!! PM25_FRM. The intermediate variablse K...ANH4IJ_loss are needed to \n!! calculate the final quantities.\nK ,ppb2 ,exp(118.87-24084/TEMP2[4]-6.025*log(TEMP2[4]))\nP1 , ,exp(8763/TEMP2[4]+19.12*log(TEMP2[4])-135.94)\nP2 , ,exp(9969/TEMP2[4]+16.22*log(TEMP2[4])-122.65)\nP3 , ,exp(13875/TEMP2[4]+24.46*log(TEMP2[4])-182.61)\na , ,1-RH[0]/100\nK_prime ,ppb2 ,(P1[0]-P2[0]*a[0]+(P3[0]*a[0]*a[0]))*(a[0]^1.75)*K[0]\nsqrt_Ki ,ppb ,sqrt(RH[0]<=61 ? K[0] : K_prime[0])\nmax_NO3_loss ,ug m-3 ,745.7/TEMP2[4]*sqrt_Ki[0]\nPM25_NO3_loss ,ug m-3 ,max_NO3_loss[0]<=PM25_NO3[0] ? max_NO3_loss[0] : PM25_NO3[0]\nANO3IJ_loss ,ug m-3 ,max_NO3_loss[0]<=ANO3IJ[0] ? max_NO3_loss[0] : ANO3IJ[0]\nPM25_NH4_loss ,ug m-3 ,PM25_NO3_loss[0]*(18/62)\nANH4IJ_loss ,ug m-3 ,ANO3IJ_loss[0]*(18/62)\nPMIJ_FRM ,ug m-3 ,ATOTIJ[0]-(ANO3IJ_loss[0]+ANH4IJ_loss[0]) \\\n +0.24*(ASO4IJ[0]+ANH4IJ[0]-ANH4IJ_loss[0])+0.5\nPM25_FRM ,ug m-3 ,PM25_TOT[0]-(PM25_NO3_loss[0]+PM25_NH4_loss[0]) \\\n +0.24*(PM25_SO4[0]+PM25_NH4[0]-PM25_NH4_loss[0])+0.5\n" }, { "path": "CCTM/src/MECHS/cracmm1_aq/SpecDef_Dep_cracmm1_aq.txt", "content": "!#start YYYYJJJ\n!#end YYYYJJJ\n#layer 1\n\n/ File [1]: DRYDEP\n/ File [2]: WETDEP\n/ File [3]: METCRO2D\n/\n/new species ,units ,expression\n\nRT ,cm ,RC[3]>=0 ? RN[3]+RC[3] : RN[3]\n\n!---------------------------------------------------!\n!--------------- Gas Deposition --------------------!\n!---------------------------------------------------!\nDDEP_NO2 ,kg ha-1 ,NO2[1]\nWDEP_NO2 ,kg ha-1 ,NO2[2]\nDDEP_NO ,kg ha-1 ,NO[1]\nWDEP_NO ,kg ha-1 ,NO[2]\nDDEP_FORM ,kg ha-1 ,HCHO[1], formaldehyde is HCHO RACM2\nWDEP_FORM ,kg ha-1 ,HCHO[2], formaldehyde is HCHO RACM2\nDDEP_H2O2 ,kg ha-1 ,H2O2[1]\nWDEP_H2O2 ,kg ha-1 ,H2O2[2]\nDDEP_N2O5 ,kg ha-1 ,N2O5[1]\nWDEP_N2O5 ,kg ha-1 ,N2O5[2]\nDDEP_HONO ,kg ha-1 ,HONO[1]\nWDEP_HONO ,kg ha-1 ,HONO[2]\nDDEP_HNO3 ,kg ha-1 ,HNO3[1]\nWDEP_HNO3 ,kg ha-1 ,HNO3[2]\nDDEP_NO3 ,kg ha-1 ,NO3[1]\nWDEP_NO3 ,kg ha-1 ,NO3[2]\nDDEP_NTR ,kg ha-1 ,ONIT[1]+ISON[1]+NALD[1]+TRPN[2]\nWDEP_NTR ,kg ha-1 ,ONIT[2]+ISON[2]+NALD[2]+TRPN[2]\nDDEP_PANT ,kg ha-1 ,PAN[1]+PPN[1]+MPAN[1]\nWDEP_PANT ,kg ha-1 ,PAN[2]+PPN[2]+MPAN[2]\nDDEP_NH3 ,kg ha-1 ,NH3[1]\nWDEP_NH3 ,kg ha-1 ,NH3[2]\nDDEP_SO2 ,kg ha-1 ,SO2[1]\nDDEP_O3 ,kg ha-1 ,O3[1]\nWDEP_O3 ,kg ha-1 ,O3[2]\nDDEP_PNA ,kg ha-1 ,HNO4[1], PeroxyNitric Acid\nWDEP_PNA ,kg ha-1 ,HNO4[2], PeroxyNitric Acid\n\n!---------------------------------------------------!\n!------------- Aerosol Deposition ------------------!\n!---------------------------------------------------!\nDDEP_ANO3IJ ,kg ha-1 ,ANO3I[1] + ANO3J[1]\nDDEP_ANO3K ,kg ha-1 ,ANO3K[1]\nWDEP_ANO3IJK ,kg ha-1 ,ANO3I[2] + ANO3J[2] + ANO3K[2]\nDDEP_TNO3 ,kg ha-1 ,ANO3I[1] + ANO3J[1] + ANO3K[1] + 0.984*HNO3[1] + NO3[1]\nWDEP_TNO3 ,kg ha-1 ,ANO3I[2] + ANO3J[2] + ANO3K[2] + 0.984*HNO3[2] + NO3[2]\nDDEP_ANH4IJ ,kg ha-1 ,ANH4I[1] + ANH4J[1]\nDDEP_ANH4K ,kg ha-1 ,ANH4K[1]\nWDEP_ANH4IJK ,kg ha-1 ,ANH4I[2] + ANH4J[2] + ANH4K[2]\nDDEP_ASO4IJ ,kg ha-1 ,ASO4I[1] + ASO4J[1]\nDDEP_ASO4K ,kg ha-1 ,ASO4K[1]\nWDEP_ASO4IJK ,kg ha-1 ,ASO4I[2] + ASO4J[2] + ASO4K[2]\nDDEP_AECIJ\t ,kg ha-1 ,AECI[1] +AECJ[1]\n\n!DDEP_SSSO4J ,kg ha-1 ,0.2514*ANAJ[1]\n!DDEP_SSSO4K ,kg ha-1 ,0.2514*DDEP_ANAK[0]\n!WDEP_SSSO4JK ,kg ha-1 ,0.2514*ANAJ[2] + 0.2514*WDEP_ANAK[0]\n\n\n!-----------------------------------------------------!\n!-------- Total (Gas + Aerosol) Deposition -----------!\n!-----------------------------------------------------!\nDDEP_NHX ,kg ha-1 ,ANH4I[1] + ANH4J[1] + ANH4K[1] + 1.059*NH3[1]\nWDEP_NHX ,kg ha-1 ,ANH4I[2] + ANH4J[2] + ANH4K[2] + 1.059*NH3[2]\nWDEP_TSO4 ,kg ha-1 ,ASO4I[2] + ASO4J[2] + ASO4K[2] + 1.5*SO2[2]\n\n!! Sodium\nDDEP_ANAJ ,kg ha-1 ,ANAJ[1]\nDDEP_ANAK ,kg ha-1 ,0.8373*ASEACAT[1]+0.0626*ASOIL[1]+0.0023*ACORS[1]\nDDEP_ANAJK ,kg ha-1 ,DDEP_ANAJ[0] + DDEP_ANAK[0]\nWDEP_ANAK ,kg ha-1 ,0.8373*ASEACAT[2]+0.0626*ASOIL[2]+0.0023*ACORS[2]\nWDEP_ANAJK ,kg ha-1 ,ANAJ[2] + WDEP_ANAK[0]\nTDEP_ANAJK ,kg ha-1 ,DDEP_ANAJK[0] + WDEP_ANAJK[0]\n\n!! Chloride\nDDEP_ACLJ ,kg ha-1 ,ACLJ[1]\nDDEP_ACLK ,kg ha-1 ,ACLK[1]\nDDEP_ACLJK ,kg ha-1 ,ACLJ[1] + ACLK[1]\nWDEP_TCL ,kg ha-1 ,0.972*HCL[2] + ACLJ[2] + ACLK[2]\nTDEP_CL ,kg ha-1 ,DDEP_ACLJK[0] + WDEP_TCL[0]\n\n!! Calcium\nDDEP_CAJ\t ,kg ha-1 ,ACAJ[1]\nWDEP_CAJ\t ,kg ha-1 ,ACAJ[2]\nDDEP_CAK ,kg ha-1 ,0.0320*ASEACAT[1]+0.0838*ASOIL[1]+0.0562*ACORS[1]\nWDEP_CAK ,kg ha-1 ,0.0320*ASEACAT[2]+0.0838*ASOIL[2]+0.0562*ACORS[2]\nDDEP_CAJK\t ,kg ha-1 ,ACAJ[1]+DDEP_CAK[0]\nWDEP_CAJK\t ,kg ha-1 ,ACAJ[2]+WDEP_CAK[0]\n\n!! Iron\nDDEP_FEJ\t ,kg ha-1 ,AFEJ[1]\nWDEP_FEJ\t ,kg ha-1 ,AFEJ[2]\n\n!! Aluminum\nDDEP_ALJ\t ,kg ha-1 ,AALJ[1]\nWDEP_ALJ ,kg ha-1 ,AALJ[2]\n\n!! Silicon\nDDEP_SIJ ,kg ha-1 ,ASIJ[1]\nWDEP_SIJ ,kg ha-1 ,ASIJ[2]\n\n!! Titanium\nDDEP_TIJ ,kg ha-1 ,ATIJ[1]\nWDEP_TIJ ,kg ha-1 ,ATIJ[2]\n\n!! Magnesium\nDDEP_MGJ ,kg ha-1 ,AMGJ[1]\nWDEP_MGJ ,kg ha-1 ,AMGJ[2]\nDDEP_MGK ,kg ha-1 ,0.0997*ASEACAT[1]+0.0170*ASOIL[1]+0.0032*ACORS[1]\nWDEP_MGK ,kg ha-1 ,0.0997*ASEACAT[2]+0.0170*ASOIL[2]+0.0032*ACORS[2]\nDDEP_MGJK ,kg ha-1 ,AMGJ[1]+DDEP_MGK[0]\nWDEP_MGJK ,kg ha-1 ,AMGJ[2]+WDEP_MGK[0]\n\n!! Potassium\nDDEP_KJ ,kg ha-1 ,AKJ[1]\nWDEP_KJ ,kg ha-1 ,AKJ[2]\nDDEP_KK ,kg ha-1 ,0.0310*ASEACAT[1]+0.0242*ASOIL[1]+0.0176*ACORS[1]\nWDEP_KK ,kg ha-1 ,0.0310*ASEACAT[2]+0.0242*ASOIL[2]+0.0176*ACORS[2]\nDDEP_KJK ,kg ha-1 ,AKJ[1]+DDEP_KK[0]\nWDEP_KJK ,kg ha-1 ,AKJ[2]+WDEP_KK[0]\n\n!! Manganese\nDDEP_MNJ ,kg ha-1 ,AMNJ[1]\nWDEP_MNJ ,kg ha-1 ,AMNJ[2]\n\n\n!---------------------------------------------------!\n!------------- Nitrogen Deposition -----------------!\n!---------------------------------------------------!\nDD_OXN_NOX ,kgN ha-1 ,0.30435*NO2[1] + 0.46667*NO[1]\nWD_OXN_NOX ,kgN ha-1 ,0.30435*NO2[2] + 0.46667*NO[2]\nDD_OXN_TNO3 ,kgN ha-1 ,0.22581*DDEP_TNO3[0]\nWD_OXN_TNO3 ,kgN ha-1 ,0.22581*WDEP_TNO3[0]\nDD_OXN_PANT ,kgN ha-1 ,0.11570*PAN[1] + 0.11570*PPN[1] + 0.11570*MPAN[1]\nWD_OXN_PANT ,kgN ha-1 ,0.11570*PAN[2] + 0.11570*PPN[2] + 0.11570*MPAN[2]\nDD_OXN_ORGN ,kgN ha-1 ,0.10770*(ONIT[1]+ISON[1]+NALD[1]) + DD_OXN_PANT[0]\nWD_OXN_ORGN ,kgN ha-1 ,0.10770*(ONIT[2]+ISON[2]+NALD[2]) + WD_OXN_PANT[0]\nDD_OXN_OTHR ,kgN ha-1 ,0.25926*N2O5[1] + 0.29787*HONO[1] + 0.17720*HNO4[1]\nWD_OXN_OTHR ,kgN ha-1 ,0.25926*N2O5[2] + 0.29787*HONO[2] + 0.17720*HNO4[2]\nDD_OXN_TOT ,kgN ha-1 ,DD_OXN_NOX[0] + DD_OXN_TNO3[0] + DD_OXN_ORGN[0] + DD_OXN_OTHR[0]\nWD_OXN_TOT ,kgN ha-1 ,WD_OXN_NOX[0] + WD_OXN_TNO3[0] + WD_OXN_ORGN[0] + WD_OXN_OTHR[0]\n\nTD_OXN_TOT ,kgN ha-1 ,DD_OXN_TOT[0] + WD_OXN_TOT[0]\nDD_REDN_TOT ,kgN ha-1 ,0.7777*DDEP_NHX[0]\nWD_REDN_TOT ,kgN ha-1 ,0.7777*WDEP_NHX[0]\nTD_REDN_TOT ,kgN ha-1 ,DD_REDN_TOT[0] + WD_REDN_TOT[0]\n\nDD_N_TOT ,kgN ha-1 ,DD_OXN_TOT[0] + DD_REDN_TOT[0]\nWD_N_TOT ,kgN ha-1 ,WD_OXN_TOT[0] + WD_REDN_TOT[0]\nTD_N_TOT ,kgN ha-1 ,DD_N_TOT[0] + WD_N_TOT[0]\n\n!! Nitrogen Deposition in milliequivalents Nitrogen\n!DD_OXN_TOTMEQ ,meqN m-2 ,7.14*DD_OXN_TOT[0]\n!WD_OXN_TOTMEQ ,meqN m-2 ,7.14*WD_OXN_TOT[0]\n!TD_OXN_TOTMEQ ,meqN m-2 ,DD_OXN_TOTMEQ[0] + WD_OXN_TOTMEQ[0]\n!DD_REDN_TOTMEQ ,meqN m-2 ,7.14*DD_REDN_TOT[0]\n!WD_REDN_TOTMEQ ,meqN m-2 ,7.14*WD_REDN_TOT[0]\n!TD_REDN_TOTMEQ ,meqN m-2 ,DD_REDN_TOTMEQ[0] + WD_REDN_TOTMEQ[0]\n!DD_N_TOTMEQ ,meqN m-2 ,DD_OXN_TOTMEQ[0] + DD_REDN_TOTMEQ[0]\n!WD_N_TOTMEQ ,meqN m-2 ,WD_OXN_TOTMEQ[0] + WD_REDN_TOTMEQ[0]\n!TD_N_TOTMEQ ,meqN m-2 ,DD_N_TOTMEQ[0] + WD_N_TOTMEQ[0]\n\n!-------------------------------------------------!\n!------------- Sulfur Deposition -----------------!\n!-------------------------------------------------!\nDD_S_TOT ,kgS ha-1 ,0.5*SO2[1] + 0.33333*ASO4I[1] + 0.33333*ASO4J[1] + 0.33333*ASO4K[1]\nWD_S_TOT ,kgS ha-1 ,0.33333*WDEP_TSO4[0]\nTD_S_TOT ,kgS ha-1 ,DD_S_TOT[0] + WD_S_TOT[0]\n!DD_S_SeaS ,kgS ha-1 ,0.33333*DDEP_SSSO4J[0] + 0.33333*DDEP_SSSO4K[0]\n!WD_S_SeaS ,kgS ha-1 ,0.33333*WDEP_SSSO4JK[0]\n!TD_S_SeaS ,kgS ha-1 ,DD_S_SeaS[0] + WD_S_SeaS[0]\n\n!! Sulfur Deposition in milliequivalents Sulfur\n!DD_S_TOTMEQ ,meqS m-2 ,6.24*DD_S_TOT[0]\n!WD_S_TOTMEQ ,meqS m-2 ,6.24*WD_S_TOT[0]\n!TD_S_TOTMEQ ,meqS m-2 ,DD_S_TOTMEQ[0] + WD_S_TOTMEQ[0]\n!DD_S_SeaSMEQ ,meqS m-2 ,6.24*DD_S_SeaS[0]\n!WD_S_SeaSMEQ ,meqS m-2 ,6.24*WD_S_SeaS[0]\n!TD_S_SeaSMEQ ,meqS m-2 ,DD_S_SeaSMEQ[0] + WD_S_SeaSMEQ[0]\n" }, { "path": "CCTM/src/MECHS/cracmm1_aq/SpecDef_cracmm1_aq.txt", "content": "!#start YYYYJJJ 010000\n!#end YYYYJJJ 000000\n#layer 1\n\n/\n! This Species Definition File is for Use with the COMBINE tool built for \n! post-processing CMAQ output. It is compatible with CMAQv5.2.\n! Date: May 12 2017\n\n! Output variables that begin with 'PM' represent those in which a size cut was \n! applied based on modeled aerosol mode parameters. For example, PM25_NA is all \n! sodium that falls below 2.5 um diameter. These 'PM' variables are used for \n! comparisons at IMPROVE and CSN sites.\n\n! Output variables that begin with 'PMAMS' represent the mass that would have\n! been detected by an Aerosol Mass Spectrometer.\n\n! Output variables beginning with 'A' (aside from AIR_DENS) represent a \n! combination of aerosol species in which no size cut was applied. For example, \n! ASO4IJ is the sum of i-mode and j-mode sulfate. These 'A' variables are used \n! for comparisons at CASTNet sites.\n\n! Output variables beginning with 'PMC' refer to the coarse fraction of total PM,\n! computed by summing all modes and subtracting the PM2.5 fraction. These 'PMC'\n! variables are used for comparisons at SEARCH sites.\n\n! This Species Definition File is just for use with the uncoupled, offline CMAQ,\n! model. If you are processing WRF-CMAQ results, a different Species Definition\n! file is required.\n\n/ File [1]: CMAQ conc/aconc file\n/ File [2]: METCRO3D file\n/ File [3]: PMDIAG/APMDIAG file\n/ File [4]: METCRO2D file\n/\n/new species ,units ,expression\n \n!-------------------------------------------!\n!------------- Meteorology -----------------!\n!-------------------------------------------!\nAIR_DENS ,kg m-3 ,DENS[2]\nRH ,% ,100.00*RH[3]\nSFC_TMP ,C ,(TEMP2[4]-273.15)\nPBLH ,m ,PBL[4]\nSOL_RAD ,W m-2 ,RGRND[4]\nprecip ,cm ,RC[4]>=0 ? RN[4]+RC[4] : RN[4]\nWSPD10 ,m s-1 ,WSPD10[4]\nWDIR10 ,deg ,WDIR10[4]\n\n!-------------------------------------------!\n!--------------- Gases ---------------------!\n!-------------------------------------------!\nCO ,ppbV ,1000.0*CO[1]\nH2O2 ,ppbV ,1000.0*H2O2[1]\nHNO3 ,ppbV ,1000.0*HNO3[1]\nHNO3_UGM3 ,ug m-3 ,1000.0*(HNO3[1]*2.1756*DENS[2]) \nHONO ,ppbV ,1000.0*HONO[1]\nHOX ,ppbV ,1000.0*(HO[1]+HO2[1])\nOH ,ppbV ,1000.0*HO[1]\nN2O5 ,ppbV ,1000.0*N2O5[1]\nNH3 ,ppbV ,1000.0*NH3[1]\nNH3_UGM3 ,ug m-3 ,1000.0*(NH3[1]*0.5880*DENS[2])\nNHX ,ug m-3 ,1000.0*(NH3[1]*0.5880*DENS[2])+ANH4I[1]+ANH4J[1]+ANH4K[1]\nNO ,ppbV ,1000.0*NO[1]\nNO2 ,ppbV ,1000.0*NO2[1]\nNOX ,ppbV ,1000.0*(NO[1] + NO2[1])\nANO3_PPB ,ppbV ,(ANO3I[1]+ANO3J[1]+ANO3K[1])/(DENS[2]*(62.0/28.97))\nNTR ,ppbV ,1000.0*(ONIT[1]+ISON[1]+TRPN[1]+NALD[1]), organic nitrates in RACM2\nPANS ,ppbV ,1000.0*(PAN[1]+PPN[1]+MPAN[1])\nNOY ,ppbV ,1000.0*(NO[1]+NO2[1]+NO3[1]+2*N2O5[1]+HONO[1] \\\n +HNO3[1]+HNO4[1]+PAN[1]+PPN[1]+MPAN[1] \\\n +ISON[1]+TRPN[1]+ONIT[1]+NALD[1])+ANO3_PPB[0]\nO3 ,ppbV ,1000.0*O3[1]\nSO2 ,ppbV ,1000.0*SO2[1]\nSO2_UGM3 ,ug m-3 ,1000.0*(SO2[1]*2.2118*DENS[2])\nTERP ,ppbV ,1000.0*(API[1]+LIM[1]), a-pinene and limonene monoterpenes in RACM2\n\n! Deprecate these names in future\nETH ,ppbV ,1000.0*ETE[1], ethene is ETE in RACM2\nETHA ,ppbV ,1000.0*ETH[1], ethane is ETH in RACM2\nALD2 ,ppbV ,1000.0*ACD[1], acetaldehyde is ACD in RACM2\nFORM ,ppbV ,1000.0*HCHO[1], formaldehyde is HCHO RACM2\nISOP ,ppbV ,1000.0*ISO[1], isoprene is ISO in RACM2\nTOL ,ppbV ,1000.0*TOL[1]\n\n! Hydrocarbons for evaluation. Note an \"s\" on the end indicates a collection of species from AQS\nACETALDEHYDE ,ppbV ,1000.0*ACD[1]\nACETYLENE ,ppbV ,1000.0*ACE[1]\nACROLEIN ,ppbV ,1000.0*ACRO[1]\nACETONE ,ppbV ,1000.0*ACT[1]\nBUTADIENE13 ,ppbV ,1000.0*BDE13[1]\nBENZENE ,ppbV ,1000.0*BEN[1]\nETHYLENE ,ppbV ,1000.0*ETE[1], ethene is ETE in RACM2\nETHANE ,ppbV ,1000.0*ETH[1], ethane is ETH in RACM2\nISOPRENE ,ppbV ,1000.0*ISO[1], isoprene is ISO in RACM2\nFORMALDEHYDE ,ppbV ,1000.0*HCHO[1], formaldehyde is HCHO RACM2\nMEKETONE ,ppbV ,1000.0*MEK[1]\nTOLUENE ,ppbV ,1000.0*TOL[1]\nXYLENES ,ppbV ,1000.0*(XYE[1]+XYM[1])\nHCPROPANES ,ppbV ,1000.0*(HC3[1])\nHCPENTANES ,ppbV ,1000.0*(HC5[1])\nHCDECANES ,ppbV ,1000.0*(HC10[1]), formerly HC8\nOLEFINS ,ppbV ,1000.0*(OLI[1]+OLT[1])\nABPINENES ,ppbV ,1000.0*(API[1])\n\n!! Unused Gases. Presented Here for illustration. Users can uncomment\n!! them if they choose.\nALDX ,ppbV ,1000.0*ALD[1], C3 and higher aldehydes is ALD in RACM2\n!NOZ ,ppbV ,NOY[0]-NOX[0]\n!SULF ,ppbV ,1000.0*SULF[1]\n! SIGROC: S/IVOC alk and oxy gas species\nLSIVROC ,ppbC ,1000.0* (9.5*VROCIOXY[1] \\\n +14.0*VROCP5ARO[1]+13.0*VROCP6ARO[1] \\\n +30.0*VROCN2ALK[1]+29.0*VROCN1ALK[1] \\\n +28.0*VROCP0ALK[1]+27.0*VROCP1ALK[1] \\\n +24.0*VROCP2ALK[1]+21.0*VROCP3ALK[1] \\\n +18.0*VROCP4ALK[1]+14.0*VROCP5ALK[1] \\\n +13.0*VROCP6ALK[1]\\\n +17.0*VROCN2OXY2[1]+11.0*VROCN2OXY4[1] \\ \n +7.0*VROCN2OXY8[1]+20.0*VROCN1OXY1[1] \\ \n +12.0*VROCN1OXY3[1]+8.0*VROCN1OXY6[1] \\ \n +14.0*VROCP0OXY2[1]+10.0*VROCP0OXY4[1] \\ \n +17.0*VROCP1OXY1[1]+11.0*VROCP1OXY3[1] \\ \n +12.0*VROCP2OXY2[1]+11.0*VROCP3OXY2[1] \\ \n +9.0*VROCP4OXY2[1]+11.0*VROCP5OXY1[1] \\ \n +9.0*VROCP6OXY1[1] ), \n! VROC: Total gas-phase (vapor) reactive organic carbon (stable species only) \nVROC ,ppbC ,1000.0*(2.0*ACD[1]+2.0*ACE[1] \\\n +3.0*ACRO[1]+3.0*ACT[1]+3.0*ALD[1]+10*API[1] \\\n +7.0*BALD[1]+4.0*BDE13[1]+6.0*BEN[1] \\\n +9.0*CSL[1]+5.0*DCB1[1]+6.0*DCB2[1]+4.0*DCB3[1] \\\n +20.0*ELHOM[1] \\\n +2.0*EOH[1]+2.0*ETE[1]+2.0*ETEG[1]+2.0*ETH[1] \\\n +5.0*FURAN[1]+4.0*FURANONE[1]+2.0*GLY[1]+10.0*HOM[1] \\\n +3.0*HC3[1]+5.0*HC5[1]+10.0*HC10[1] \\\n +1.0*HCHO[1]+3.0*HKET[1] \\\n +5.0*IEPOX[1]+5.0*ISHP[1]+5.0*ISO[1]+5.0*KET[1] \\\n +10.0*LIM[1]+10.0*LIMAL[1]+4.0*MACR[1]+4*MAHP[1] \\\n +7.0*MCT[1] \\\n +4.0*MEK[1]+3.0*MGLY[1]+1.0*MOH[1]+4.0*MVK[1] \\\n +10.0*NAPH[1]+5.0*OLI[1]+3.0*OLT[1] \\\n +1.0*OP1[1]+2.0*OP2[1]+8.0*OP3[1]+10.0*OPB[1] \\\n +1.0*ORA1[1]+2.0*ORA2[1] \\\n +10.0*PINAL[1] \\\n +6.0*PHEN[1]+3.0*PROG[1] \\\n +3.0*ROH[1]+15.0*SESQ[1]+2.1*SLOWROC[1] \\\n +7.0*TOL[1]+5.0*UALD[1] \\\n +8.0*XYM[1]+8.0*XYE[1] \\\n +2.0*PAA[1]+2.0*PAN[1]+3.0*PPN[1]+4.0*MPAN[1] \\ \n +4.0*ONIT[1]+2.0*NALD[1]+5.0*ISON[1]+10.0*TRPN[1] ) \\ \n +LSIVROC[0] ,\n!-------------------------------------------!\n!--------------- Particles -----------------!\n!-------------------------------------------!\n!! Crustal Elements\nAFEJ ,ug m-3 ,PMF_FE[3]\nAALJ ,ug m-3 ,PMF_AL[3]\nASIJ ,ug m-3 ,PMF_SI[3]\nATIJ ,ug m-3 ,PMF_TI[3]\nACAJ ,ug m-3 ,PMF_CA[3]\nAMGJ ,ug m-3 ,PMF_MG[3]\nAKJ ,ug m-3 ,PMF_K[3]\nAMNJ ,ug m-3 ,PMF_MN[3]\nASOILJ ,ug m-3 ,PMF_SOILIMPV[3]\n\n!! Non-Crustal Inorganic Particle Species\nAHPLUSIJ ,ug m-3 ,PMF_HP[3]\nANAK ,ug m-3 ,PMC_NA[3]\nAMGK ,ug m-3 ,PMC_MG[3]\nAKK ,ug m-3 ,PMC_K[3]\nACAK ,ug m-3 ,PMC_CA[3]\nACLIJ ,ug m-3 ,PMF_CL[3]\nAECIJ ,ug m-3 ,PMF_EC[3]\nANAIJ ,ug m-3 ,PMF_NA[3]\nANO3IJ ,ug m-3 ,PMF_NO3[3]\nANO3K ,ug m-3 ,PMC_NO3[3]\nANH4IJ ,ug m-3 ,PMF_NH4[3]\nANH4K ,ug m-3 ,PMC_NH4[3]\nASO4IJ ,ug m-3 ,PMF_SO4[3]\nASO4K ,ug m-3 ,PMC_SO4[3]\n\n!! Organic Particle Species\nAPOCIJ ,ugC m-3 ,PMF_POC[3]\nAPOMIJ ,ug m-3 ,PMF_POA[3]\nASOCIJ ,ugC m-3 ,PMF_SOC[3]\nASOMIJ ,ug m-3 ,PMF_SOA[3]\nAOCIJ ,ugC m-3 ,PMF_OC[3]\nAOMIJ ,ug m-3 ,PMF_OA[3]\n\n!!! Anthropogenic-VOC Derived Organic Aerosol\nAORGAIJ ,ug m-3 ,PMF_ASOA[3]\n\n!!! Biogenic-VOC Derived Organic Aerosol\nAORGBIJ ,ug m-3 ,PMF_BSOA[3]\n\n!!! Cloud-Processed SOA\nAORGCJ ,ug m-3 ,AORGCJ[1]\n\n!!! OM/OC ratios\nAOMOCRAT_TOT , ,PMF_OMOC[3]\n\n!! Total PM Aggregates\nATOTI ,ug m-3 ,PMAIT_MASS[3]\nATOTJ ,ug m-3 ,PMACC_MASS[3]\nATOTK ,ug m-3 ,PMC_MASS[3]\nATOTIJ ,ug m-3 ,PMF_MASS[3]\nATOTIJK ,ug m-3 ,PM_MASS[3]\n\n!! Unspeciated PM including non-carbon organic mass\nAUNSPEC1IJ ,ug m-3 ,PMF_UN_IMPV1[3] \n!! Non-Carbon Organic Mass\nANCOMIJ ,ug m-3 ,PMF_NCOM[3]\n\n!! Unspeciated PM excluding non-carbon organic mass\nAUNSPEC2IJ ,ug m-3 ,PMF_UN_IMPV2[3]\n\n!! AMS Projection of Output Concentrations\nPMAMS_CL ,ug m-3 ,PMAMS_CL[3]\nPMAMS_NH4 ,ug m-3 ,PMAMS_NH4[3]\nPMAMS_NO3 ,ug m-3 ,PMAMS_NO3[3]\nPMAMS_OA ,ug m-3 ,PMAMS_OA[3]\nPMAMS_SO4 ,ug m-3 ,PMAMS_SO4[3]\n\n!! PM1 Cutoff Output\nPM1_TOT ,ug m-3 ,PM1[3]\n\n!! Unused PM1 Species. Included Here for demonstration\n!PM1_EC ,ug m-3 ,PM1_EC[3]\n!PM1_OC ,ugC m-3 ,PM1_OC[3]\n!PM1_OM ,ug m-3 ,PM1_OA[3]\n!PM1_SO4 ,ug m-3 ,PM1_SO4[3]\n!PM1_CL ,ug m-3 ,PM1_CL[3]\n!PM1_NA ,ug m-3 ,PM1_NA[3]\n!PM1_MG ,ug m-3 ,PM1_MG[3]\n!PM1_K ,ug m-3 ,PM1_K[3]\n!PM1_CA ,ug m-3 ,PM1_CA[3]\n!PM1_NH4 ,ug m-3 ,PM1_NH4[3]\n!PM1_NO3 ,ug m-3 ,PM1_NO3[3]\n!PM1_SOIL ,ug m-3 ,PM1_SOIL[3]\n!PM1_UNSPEC1 ,ug m-3 ,PM1_UNSP1[3]\n!PM1_UNSPCRS ,ug m-3 ,PM1_UNSPCRS[3]\n\n!! PM2.5 species computed using modeled size distribution\nPM25_HP ,ug m-3 ,PM25_HP[3]\nPM25_CL ,ug m-3 ,PM25_CL[3] \nPM25_EC ,ug m-3 ,PM25_EC[3] \nPM25_NA ,ug m-3 ,PM25_NA[3] \nPM25_MG ,ug m-3 ,PM25_MG[3] \nPM25_K ,ug m-3 ,PM25_K[3] \nPM25_CA ,ug m-3 ,PM25_CA[3] \nPM25_NH4 ,ug m-3 ,PM25_NH4[3] \nPM25_NO3 ,ug m-3 ,PM25_NO3[3] \nPM25_OC ,ugC m-3 ,PM25_OC[3] \nPM25_OM ,ug m-3 ,PM25_OA[3] \nPM25_SOIL ,ug m-3 ,PM25_SOIL[3] \nPM25_SO4 ,ug m-3 ,PM25_SO4[3] \nPM25_TOT ,ug m-3 ,PM25[3] \nPM25_UNSPEC1 ,ug m-3 ,PM25_UNSP1[3] \nPM25_UNSPCRS ,ug m-3 ,PM25_UNSPCRS[3] \n \n\n!! PM10.0 and Coarse-Sized Species\nPM10 ,ug m-3 ,PM10[3]\n \nPMC_CL ,ug m-3 ,PM25TO10_CL[3]\nPMC_NA ,ug m-3 ,PM25TO10_NA[3]\nPMC_NH4 ,ug m-3 ,PM25TO10_NH4[3] \nPMC_NO3 ,ug m-3 ,PM25TO10_NO3[3] \nPMC_SO4 ,ug m-3 ,PM25TO10_SO4[3] \nPMC_TOT ,ug m-3 ,PM25TO10[3] \n \n!! FRM PM Equivalent Calculation\nPMIJ_FRM ,ug m-3 ,PMF_FRM[3]\nPM25_FRM ,ug m-3 ,PM25_FRM[3]\n" }, { "path": "CCTM/src/MECHS/cracmm1_aq/cracmm1_aq_speciesdescription.csv", "content": "Species,Description\r\nACD,Acetaldehyde \r\nACE,Acetylene \r\nACO3,Acetyl peroxy radicals\r\nACRO,Acrolein\r\nACT,Acetone\r\nACTP,Peroxy radicals formed from ACT\r\nADCN,Aromatic-NO3 adduct from PHEN\r\nADDC,Aromatic-HO adduct from CSL\r\nALD,C3 and higher aldehydes\r\nAPI,Alpha-pinenes and other cyclic terpenes with one double bond\r\nAPINP1,Peroxy radicals from API+NO3 that do not undergo autoxidation\r\nAPINP2,Peroxy radicals from API+NO3 that undergo autoxidation\r\nAPIP1,Peroxy radicals from API+OH that do not undergo autoxidation\r\nAPIP2,Peroxy radicals from API+OH that undergo autoxidation\r\nBAL1,Peroxy radicals formed from BALD \r\nBAL2,Peroxy radicals formed from BALD \r\nBALD,Benzaldehyde and other aromatic aldehydes\r\nBALP,Peroxy radicals formed from BALD \r\nBDE13,1;3-butadiene\r\nBDE13P,Peroxy radicals from BDE13\r\nBEN,Benzene\r\nBENP,Peroxy radicals formed from benzene\r\nCHO,Phenoxy radical formed from CSL\r\nCO,Carbon monoxide\r\nCSL,Cresol and other hydroxy substituted aromatics \r\nDCB1,Unsaturated dicarbonyls\r\nDCB2,Unsaturated dicarbonyls\r\nDCB3,Unsaturated dicarbonyls\r\nELHOM,Extremely-low volatility highly oxygenated molecules from terpenes\r\nEOH,Ethanol\r\nETE,ethene \r\nETEG,Ethylene glycol\r\nETEP,Peroxy radicals formed from ETE\r\nETH,ethane \r\nETHP,Peroxy radicals formed from ethane and other species \r\nFURAN,Furans and other dienes\r\nFURANO2,Peroxy radicals from FURAN oxidation\r\nFURANONE,Ring-retaining ketone product from FURAN oxidation\r\nGLY,Glyoxal and glycoaldehydes \r\nH2O2,Hydrogen peroxide\r\nHC10,Alkanes and other species with HO rate constant greater than 6.8x10-12 cm3 s-1\r\nHC10P,Peroxy radicals formed from HC10 \r\nHC10P2,Hydroxy peroxy radicals from HC10P alkoxy product\r\nHC3,Alkanes and other species with HO rate constant less than 3.4x10-12 cm3 s-1 \r\nHC3P,Peroxy radicals formed from HC3\r\nHC5,Alkanes and other species with HO rate constant between 3.4x10-12 and 6.8x10-12 cm3 s-1 \r\nHC5P,Peroxy radicals formed from HC5\r\nHCHO,Formaldehyde \r\nHKET,Hydroxy ketone \r\nHNO3,Nitric acid\r\nHNO4,Pernitric acid \r\nHO,Hydroxy radical\r\nHO2,Hydroperoxy radical\r\nHOM,Highly oxygenated molecules from terpenes\r\nHONO,Nitrous acid \r\nIEPOX,isoprene epoxydiols \r\nISHP,Beta-hydroxy hydroperoxides from ISOP+HO2\r\nISO,Isoprene \r\nISON,Beta-hydroxyalkylnitrates from ISOP+NO alkylnitrates from ISO+NO3\r\nISOP,Peroxy radicals formed from ISO+HO \r\nKET,ketones\r\nKETP,Peroxy radicals formed from KET\r\nLIM,d-limonene and other cyclic diene-terpenes \r\nLIMAL,Limonene aldehyde and similar LIM-derived aldehydes\r\nLIMALP,Peroxy radicals from LIMAL\r\nLIMNP1,Peroxy radicals from LIM+NO3 that do not undergo autoxidation\r\nLIMNP2,Peroxy radicals from LIM+NO3 that undergo autoxidation\r\nLIMP1,Peroxy radicals from LIM+OH that do not undergo autoxidation\r\nLIMP2,Peroxy radicals from LIM+OH that undergo autoxidation\r\nMACP,Peroxy radicals formed from MACR+HO\r\nMACR,methacrolein and other C4 aldehydes \r\nMAHP,Hydroperoxides from MACP+HO2 \r\nMCP,Peroxy radical formed from MACR + HO which does not form MPAN\r\nMCT,Methyl catechol\r\nMCTO,Alkoxy radical formed from MCT+HO and MCT+NO3\r\nMCTP,Radical formed fro MCT+O3 reaction \r\nMEK,Methyl ethyl ketone\r\nMEKP,Peroxy radicals formed from MEK\r\nMGLY,Methylglyoxal and other alpha-carbonyl aldehydes \r\nMO2,Methyl peroxy radical\r\nMOH,Methanol \r\nMPAN,Peroxymethacryloylnitrate and other higher peroxyacylnitrates from isoprene oxidation\r\nMVK,Methyl vinyl ketone\r\nMVKP,Peroxy radicals formed from MVK\r\nN2O5,Dinitrogen pentoxide \r\nNALD,Nitrooxyacetaldehyde \r\nNAPH,Naphthalene and other PAHs\r\nNAPHP,Peroxy radicals from NAPH oxidation\r\nNO,Nitric oxide \r\nNO2,Nitrogen dioxide \r\nNO3,Nitrogen trioxide\r\nO1D,Excited state oxygen atom; O(1D) \r\nO3,Ozone\r\nO3P,Ground state oxygen atom; O(3P)\r\nOLI,Internal alkenes \r\nOLIP,Peroxy radicals formed from OLI\r\nOLND,NO3-alkene adduct reacting via decomposition \r\nOLNN,NO3-alkene adduct reacting to form carbonitrates + HO2 \r\nOLT,Terminal alkenes \r\nOLTP,Peroxy radicals formed from OLT\r\nONIT,Organic nitrates\r\nOP1,Methyl hydrogen peroxide \r\nOP2,Higher organic peroxides \r\nOPB,Terpene-derived peroxides\r\nORA1,Formic acid\r\nORA2,Acetic acid and higher acids \r\nORAP,Peroxy radical formed from ORA2 + HO reaction\r\nPAA,Peroxyacetic acids and higher analogs\r\nPAN,Peroxyacetyl nitrate and higher saturated PANs \r\nPHEN,phenol and benzene diols\r\nPINAL,Pinonaldehyde and similar APIN-derived aldehydes\r\nPINALP,Peroxy radicals from PINAL oxidation\r\nPPN,Peroxypropionyl nitrate\r\nPROG,Propylene glyocol and other 3 carbon dialcohols\r\nRCO3,Higher saturated acyl peroxy radicals\r\nROCIOXY,Intermediate volatility oxygenated ROC species (directly emitted)\r\nROCN1ALK,Alkane-like ROC species with C* of 10-1 ug/m3\r\nROCN1OXY1,Oxygenated ROC species with C* of 10-1 ug/m3 and O:C of 0.1\r\nROCN1OXY3,Oxygenated ROC species with C* of 10-1 ug/m3 and O:C of 0.3\r\nROCN1OXY6,Oxygenated ROC species with C* of 10-1 ug/m3 and O:C of 0.6\r\nROCN2ALK,Alkane-like ROC species with C* of 10-2 ug/m3\r\nROCN2OXY2,Oxygenated ROC species with C* of 10-1 ug/m3 and O:C of 0.2\r\nROCN2OXY4,Oxygenated ROC species with C* of 10-2 ug/m3 and O:C of 0.4\r\nROCN2OXY8,Oxygenated ROC species with C* of 10-2 ug/m3 and O:C of 0.8\r\nROCP0ALK,Alkane-like ROC species with C* of 1 ug/m3\r\nROCP0OXY2,Oxygenated ROC species with C* of 1 ug/m3 and O:C of 0.2\r\nROCP0OXY4,Oxygenated ROC species with C* of 1 ug/m3 and O:C of 0.4\r\nROCP1ALK,Alkane-like ROC species with C* of 10 ug/m3\r\nROCP1ALKP,Peroxy radicals from ROCP1ALK oxidation\r\nROCP1ALKP2,Hydroxy peroxy radicals from ROCP1ALK alkoxy product\r\nROCP1OXY1,Oxygenated ROC species with C* of 10 ug/m3 and O:C of 0.1\r\nROCP1OXY3,Oxygenated ROC species with C* of 10 ug/m3 and O:C of 0.3\r\nROCP2ALK,Alkane-like ROC species with C* of 10+2 ug/m3\r\nROCP2ALKP,Peroxy radicals from ROCP2ALK oxidation\r\nROCP2ALKP2,Hydroxy peroxy radicals from ROCP2ALK alkoxy product\r\nROCP2OXY2,Oxygenated ROC species with C* of 10+2 ug/m3 and O:C of 0.2\r\nROCP3ALK,Alkane-like ROC species with C* of 10+3 ug/m3\r\nROCP3ALKP,Peroxy radicals from ROCP3ALK oxidation\r\nROCP3ALKP2,Hydroxy peroxy radicals from ROCP3ALK alkoxy product\r\nROCP3OXY2,Oxygenated ROC species with C* of 10+3 ug/m3 and O:C of 0.2\r\nROCP4ALK,Alkane-like ROC species with C* of 10+4 ug/m3\r\nROCP4ALKP,Peroxy radicals from ROCP4ALK oxidation\r\nROCP4ALKP2,Hydroxy peroxy radicals from ROCP4ALK alkoxy product\r\nROCP4OXY2,Oxygenated ROC species with C* of 10+4 ug/m3 and O:C of 0.2\r\nROCP5ALK,Alkane-like ROC species with C* of 10+5 ug/m3\r\nROCP5ALKP,Peroxy radicals from ROCP5ALK oxidation\r\nROCP5ALKP2,Hydroxy peroxy radicals from ROCP5ALK alkoxy product\r\nROCP5ARO,Aromatic ROC species with C* of 10+5 ug/m3\r\nROCP5AROP,Peroxy radicals from ROCP5ARO oxidation\r\nROCP5OXY1,Oxygenated ROC species with C* of 10+5 ug/m3 and O:C of 0.1\r\nROCP6ALK,Alkane-like ROC species with C* of 10+6 ug/m3\r\nROCP6ALKP,Peroxy radicals from ROCP6ALK oxidation\r\nROCP6ALKP2,Hydroxy peroxy radicals from ROCP6ALK alkoxy product\r\nROCP6ARO,Aromatic ROC species with C* of 10+6 ug/m3\r\nROCP6AROP,Peroxy radicals from ROCP6ARO oxidation\r\nROCP6OXY1,Oxygenated ROC species with C* of 10+6 ug/m3 and O:C of 0.1\r\nROH,C3 and higher alcohols \r\nSESQ,Sesquiterpenes \r\nSESQNRO2,Peroxy radicals from SESQ reaction with nitrate radicals\r\nSESQRO2,Peroxy radicals from SESQ reaction with OH\r\nSLOWROC,Slowly reacting ROC with kOH< 3.5x10-13 cm3 s-1 \r\nSO2,Sulfur dioxide \r\nSULF,Sulfuric acid\r\nSULRXN,Precursor of Aerosol Sulfate (tracking species) \r\nTOL,Toluene \r\nTOLP,Peroxy radicals formed from TOL\r\nUALD,Unsaturated aldehydes\r\nUALP,Peroxy radicals formed from UALD \r\nXO2,Accounts for addition NO to NO2 conversions (tracking species)\r\nXYE,O- and p-xylene and other less reactive volatile aromatics with kOH < 1.46x10-11 cm3 s-1 \r\nXYEP,Peroxy radicals formed from XYE\r\nXYM,M-xylene and other more reactive volatile aromatics with kOH > 1.46x10-11 cm3 s-1 \r\nXYMP,Peroxy radicals formed from XYM\r\nHCL,Hydrochloric acid\r\nNH3,Ammonia\r\nASO4,Total sulfur IV as sulfate\r\nANH4,Ammonium ion\r\nANO3,Nitrate ion\r\nASOAT,An empirical SOA\r\nAGLY,SOA from reactive uptake of glyoxal on particles\r\nTRPN,Terpene nitrates\r\nAORGC,SOA from cloud processing of GLY and MGLY\r\nAEC,Elemental carbon\r\nAOTHR,Primary unspeciated fine PM\r\nAFE,Iron ion\r\nAAL,Aluminum ion\r\nASI,Silicon\r\nATI,Titanium\r\nACA,Calcium ion\r\nAMG,Magnesium ion\r\nAK,Potassium ion\r\nAMN,Manganese ion\r\nACORS,Primary unspeciated coarse PM\r\nASOIL,Lumped crustal species\r\nAORGH2O,Water associated with particulate organic compounds\r\nAH2O,Water associated with particulate inorganic compounds\r\nAH3OP,Hydronium ion tracer\r\nANA,Sodium ion\r\nACL,Chloride ion\r\nASEACAT,Sea spray cations\r\nAPOC,Primary organic carbon (legacy)\r\nAPNCOM,Primary non-carbon organic matter (legacy)\r\nAISO3NOS,Non-sulfated SOA from IEPOX uptake\r\nAISO3OS,Organosulfate SOA from IEPOX uptake\r\nNUM,Number of particles\r\nSRF,Surface area of particles\r\nOP3,Semivolatile organic peroxide\r\nIEPOXP,IEPOX intermediate (tracking species)\r\nATRPN,TRPN and its hydrolysis products\r\nAISON,ISON and its hydrolysis products\r\nIHN,Isoprene-derived hydroxy nitrates\r\nINO2,Isoprene nitrate-derived peroxy radicals\r\nIPN,Isoprene-derived peroxy nitrates\r\nIPC,Isoprene-derived hydroperoxyenals (HPALD)\r\n" }, { "path": "CCTM/src/MECHS/cracmm1_aq/mech_cracmm1_aq.def", "content": "!! CRACMM version 1.0 mechanism developed 2021 by USEPA\n!! CRACMM builds upon RACM2 and RACM\n!! **********************************************************************\n!! FILE: RACM2.5M4.mch - update MACR scheme with geos-chem\n!! DATE: Sept 4, 2012 - update MVK + O3 rxn\n!! VERSION: Final Frozen Version - all updates from reviewers\n!! ID: RACM Version 2.5M1 - updates from IUPAC JAN 2008\n!! LAST UPDATE: Sept 4, 2012\n!! --------------------------------------------------------------------\n!! Based on REGIONAL ATMOSPHERIC CHEMISTRY MECHANISM (RACM) Version 1.3\n!! Reference: W.R. Stockwell, F. Kirchner, M. Kuhn, and S. Seefeld, \"A \n!! New Mechanism for Regional Atmospheric Chemistry Modeling\", J. of\n!! Geophys. Res., 1997.\n!! --------------------------------------------------------------------\n!! FOR MORE INFORMATION REGARDING THIS MECHANISM CONTACT:\n!! Wendy S. Goliff \n!! CE-CERT\n!! UC Riverside\n!! 1084 Columbia Ave\n!! Riverside, CA 92507\n!! E-MAIL: wendyg@cert.ucr.edu\n!! Telephone: (951) 781-5665\n!! FAX: \n!! OR\n!! William R. Stockwell\n!! Department of Chemistry, Room 120\n!! Howard University\n!! 525 College Street, NW\n!! Washington DC 20059\n!! E-MAIL: William.R.Stockwell@gmail.com\n!! Telephone: (202) 806-6913\n!! FAX: (202) 806-5442 \n! **********************************************************************\n! The RACM2 mechanism is based upon the earlier Regional Atmospheric\n! Chemistry Mechanism (RACM) mechanism. It is intended to be valid for \n! conditions ranging from remote to polluted and from the Earth's\n! surface through the upper troposphere. The RACM2 mechanism includes\n! 356 reactions and 117 total species: 17 stable inorganic species, 4 \n! inorganic intermediates, 54 stable organic species (4 of these are\n! primarily of biogenic origin) and 42 organic intermediates.\n! **********************************************************************\n! **********************************************************************\n! Reformatted by Golam Sarwar in September 2012 for making it compatible with CMAQ \n! Following species have been removed from the product list since these are used as constants in CMAQ - CH4, H2, O2\n! Following species have been removed from the product list since these are used as input to CMAQ - H2O\n! Following species have been removed from the product list since CMAQ does not track these species - CO2 \n!\n!\n! Modified for incorporating secondary sulfate and SOA mechanism\n! Added SULRXN - counter species for aerosol from SO2 + OH reaction \n! Added ISOPRXN - counter species for aerosol from ISO + OH reaction \n! Added TRPRXN - counter species for aerosol from API and LIM \n! Added TOLRO2, XYLRO2, BENZRO2 - first generation products from TOL, XYL and BEN that further react with NO and NO2 to produce SVOC\n! Added two reactions for TOLRO2, added TOLNRXN, TOLHRXN - counter species for aerosol from TOL\n! Added two reactions for XYLRO2, added XYLNRXN, XYLHRXN - counter species for aerosol from XYL and XYO\n! Added two reactions for BENZRO2 added BNZNRXN, BNZHRXN - counter species for aerosol from BEN\n! Added three reactions for SESQ from sesquiterpene, added SESQRXN - counter species for aerosol from SESQ\n! BEN is changed to BENZENE since SOA module is expecting BENZENE, not BEN\n! ADDED ALK5 FOR SOA PRODUCTION from HC8\n!\n! Rate constant for R051 has a special expression \n!\n! Revised the rate constant of R65 based on IUPAC2010\n!\n! Wendy Goliff corrected type errors in R110 and R111\n!\n! B.Hutzell 07/10/14\n! added inorganic heterogeneous reactions for N2O5 and NO2, oligomerization reactions for\n! SOA species and aging reactions for primary organic carbon and non-carbon aerosol species\n! B.Hutzell 11/3/14\n! -changed ALK5RXN yield in reaction from 1.0 to 0.47 based on SOA updates\n! suggested by H. Pye's for cb05e51_ae6_aq\n! -Modified by splitting oligomerization into two reactions: one for each\n! Alkene SOA species. The new species were introduced in cb05e51_ae6_aq\n! Golam Sarwar 12/02/14\n! -Added a simple halogen chemistry over sea-water\n! Golam Sarwar 6/25/15\n! -Revised the simple halogen chemistry over sea-water using results of two-way CMAQ model and detailed halogen chemistry\n! Golam Sarwar 6/29/15\n! - Updated SOA formation; see CB05 changes done by Havala Pye for details \n! - Added ISOPRXN counter to ISO + NO3 reaction to add SOA formation \n! - Added SOAALK + OH reaction for SOA production and removed ALK5RXN from R075 \n! - Added Naphthalene reaction for SOA \n! - Added heterogeneous uptake of IEPOX on acidic aerosol \n! - Yield of XYLRO2 in R083 is reduced to 0.98 to prevent double counting of SOA production from XYM since naphthalene is also included in XYM\n! - 0.98 is the emission ratio of (XYM-NAPTH)/XYM for July 2011\n! 05-25-17 B. Hutzell\n! 1. updated the oligomerization reactions to be consistent with the \n! saprc07tic_ae6_aq mechanism.\n! 03-04-21 G. Sarwar\n! updated \n!------------------------------------------------------------------------------ \n! CRACMMv1.0 modifications\n! - XYO and XYP combined and replaced with XYE (R084c). Retains products of XYO \n! (same as XYP) but decreases kOH to surrogate (ethylbenzene) value. \n! Major contributors ethylbenzene and o-xylene.\n! - renamed BENZENE to BEN for greater consistency in name length\n! - added HAP placeholder chemistry for BDE13, ACRO. NAPH already present.\n! - added PROG based on Coggon et al. PNAS 2021 and \n! MCM http://mcm.york.ac.uk/browse.htt?species=PROPGLY\n! - Photolysis updates added per B. Hutzell\n! - FURAN chemistry added based on Wang et al. JGR 2021, Schwantes, Coggon\n! - SESQ chemistry added based on MCM per H. Pye\n! - Phenolic (PHEN, CSL) SOA added per H. Pye\n! - Monoterpene nitrates added per B. Place\n! - ACRO, BDE13 chemistry added per E. D'Ambro\n! - Oxygenated ROC (ROCOXY) chemistry added per B. Murphy\n! - Alkane ROC (ROCALK) chemistry added per K. Seltzer\n! - HC8 replaced with HC10 following ROCALK template by H. Pye\n! - Aromatic chemistry (ROCARO, NAPH, BTX) added per H. Pye\n!------------------------------------------------------------------------------ \n! 10-18-21 G. Sarwar\n! updated rate constants for inorganic reactions and three organic reactions (R70-R71)\n! added one photolysis reaction (R014a), updated reaction products for R016 and R017\n! updated photolysis rate coefficients for CH3COCH3, MEK, KET, ALD, HCHO\n!------------------------------------------------------------------------------ \nCRACMM1_AQ\n\nELIMINATE =\nXN;\nXC;\nCO2;\nEND ELIMINATE\n\nREACTIONS[CM] =\n\n O3 = O3P # 1.0/;\n O3 = O1D # 1.0/;\n H2O2 = 2.0*HO # 1.0/;\n NO2 = O3P + NO # 1.0/;\n NO3 = NO # 1.0/;\n NO3 = O3P + NO2 # 1.0/;\n HONO = HO + NO # 1.0/;\n HNO3 = HO + NO2 # 1.0/;\n HNO4 = 0.20*HO + 0.80*HO2\n + 0.80*NO2\n + 0.20*NO3 # 1.0/;\n HCHO = CO # 1.0/;\n HCHO = HO2 + HO2 \n + CO # 1.0/;\n ACD = HO2 + MO2 \n + CO # 1.0/;\n ALD = HO2 + ETHP \n + CO # 1.0/;\n ACT = MO2 + ACO3 # 1.0/;\n ACT = 2.0*MO2 + CO # 1.0/;\n UALD = 1.22*HO2 + 0.784*ACO3\n + 1.22*CO\n + 0.35*HCHO\n + 0.434*ALD\n + 0.216*KET # 1.0/;\n PINAL = HO2 + HC10P\n + CO # 1.0/;\n LIMAL = HO2 + HC10P\n + CO # 1.0/;\n MEK = 0.10*MO2 + ETHP\n + 0.9*ACO3\n + 0.1*CO # 1.0/;\n KET = 1.5*ETHP + 0.5*ACO3 \n + 0.5*CO # 1.0/;\n HKET = HO2 + ACO3 \n + HCHO # 1.0/; \n \n MACR = 0.34*HO + 0.66*HO2\n + 0.67*ACO3\n + 0.33*MACP\n + 0.34*XO2\n + 0.67*CO\n + 0.67*HCHO # 1.0/;\n MVK = 0.3*MO2 + 0.3*MACP\n + 0.7*CO\n + 0.7*UALD # 1.0/;\n GLY = 2*CO # 1.0/;\n GLY = HCHO + CO # 1.0/;\n GLY = 2*HO2 + 2*CO # 1.0/;\n MGLY = HO2 + ACO3 \n + CO # 1.0/;\n DCB1 = 1.5*HO2 + 0.25*ACO3\n + 0.2*XO2\n + CO\n + 0.5*GLY\n + 0.5*MGLY # 1.0/;\n DCB2 = 1.5*HO2 + 0.25*ACO3\n + 0.2*XO2\n + CO\n + 0.5*GLY\n + 0.5*MGLY # 1.0/;\n BALD = CHO + HO2\n + CO # 1.0/;\n OP1 = HO + HO2\n + HCHO # 1.0/;\n OP2 = HO + HO2\n + ALD # 1.0/;\n OPB = HO + HO2\n + ALD # 1.0/;\n OP3 = HO + HO2\n + ALD # 1.0/;\n PAA = HO + MO2 # 1.0/;\n ONIT = HO2 + NO2\n + 0.20*ALD \n + 0.80*KET # 1.0/;\n PAN = ACO3 + NO2 # 1.0/;\n PAN = MO2 + NO3 # 1.0/;\n O3 + HO = HO2 # 1.7E-12 @ 940.;\n O3 + HO2 = HO # 1.0E-14 @ 490.;\n O3 + NO = NO2 # 3.0E-12 @ 1500.;\n O3 + NO2 = NO3 # 1.2E-13 @ 2450.;\n O3P + O2 + M = O3 # 6.10E-34 ^ -2.4; \n O3P + O3 = # 8.0E-12 @ 2060.;\n O1D + O2 = O3P # 3.3E-11 @ -55.;\n O1D + N2 = O3P # 2.15E-11 @ -110.;\n O1D + H2O = 2.0*HO # 1.63E-10 @ -60.0;\n H2 + HO = HO2 # 2.80E-12 @ 1800.;\n HO + HO2 = # 4.8E-11 @ -250.;\n HO2 + HO2 = H2O2 %3 # 3.0E-13 @ -460. & \n 2.1E-33 @ -920.; \n HO2 + HO2 + H2O = H2O2 %3 # 4.20E-34 @ -2660. &\n 2.94E-54 @ -3120.; \n H2O2 + HO = HO2 # 1.8E-12 @ 0.;\n NO + O3P = NO2 # 9.1E-32 ^ -1.5 &\n 3.0E-11 ^ 0.0 ;\n NO + HO = HONO # 7.1E-31 ^ -2.6 &\n 3.6E-11 ^ -0.1;\n NO + HO2 = NO2 + HO # 3.44E-12 @ -260.;\n NO + HO2 = HNO3 %3 # 6.095e-14^-1.0@-270.0& \n 6.857e-34^1.0@-270.0&\n -5.968e-14@-270.0;\n NO + NO + O2 = 2.0*NO2 # 4.25E-39 @ -663.5;\n HONO + HO = NO2 # 3.0E-12 @ -250.; \n NO2 + O3P = NO # 5.3E-12 @ -200.;\n NO2 + O3P = NO3 # 3.4E-31 ^ -1.6 &\n 2.3E-11 ^ -0.2;\n NO2 + HO = HNO3 # 1.80E-30 ^ -3.0 & \n 2.80E-11 ^ 0.0; \n HNO3 + HO = NO3 %2 # 2.4E-14 @ -460 & \n 2.7E-17 @ -2199 &\n 6.5E-34 @ -1335;\n NO3 + HO = HO2 + NO2 # 2.0E-11; \n NO3 + HO2 = 0.7*HO + 0.7*NO2\n + 0.3*HNO3 # 3.50E-12; \n NO3 + NO = 2.0*NO2 # 1.7E-11 @ -125.;\n NO3 + NO2 = NO + NO2 # 4.35E-14 @ 1335.;\n NO3 + NO3 = 2.0*NO2 # 8.5E-13 @ 2450.;\n NO3 + NO2 = N2O5 # 2.40E-30 ^ -3.0 & \n 1.6E-12 ^ +0.1;\n N2O5 = NO2 + NO3 # 5.80E-27 @ -10840.0\n *E;\n N2O5 + H2O = 2.0*HNO3 # 1.0E-22;\n NO2 + HO2 = HNO4 # 1.9E-31 ^ -3.4 &\n 4.0E-12 ^ -0.3;\n HNO4 = HO2 + NO2 # 2.10E-27 @ -10900.0\n *E;\n HNO4 + HO = NO2 # 4.50E-13 @ -610.;\n SO2 + HO = HO2 + SULF \n + SULRXN # 2.9E-31 ^ -4.1 &\n 1.7E-12 ^ +0.2;\n CO + HO = HO2 %3 # 1.44E-13 @ 0.0 & \n 2.74E-33 @ 0.0; \n CH4 + HO = MO2 # 2.45E-12 @ 1775.;\n ETH + HO = ETHP # 7.66E-12 @ 1020.;\n HC3 + HO = HC3P + 0.0000281*ASOATJ # 7.68E-12 @ 370.;\n HC5 + HO = HC5P + 0.00134*ASOATJ # 1.01E-11 @ 245.;\n ETE + HO = ETEP # 1.0E-28 ^ -4.5 &\n 8.8E-12 ^ -0.85;\n OLT + HO = OLTP # 5.72E-12 @ -500.;\n OLI + HO = OLIP # 1.33E-11 @ -500.;\n ACE + HO = 0.650*HO + 0.350*HO2\n + 0.350*CO\n + 0.650*GLY\n + 0.350*ORA1 # 5.5E-30 ^ 0.0 & \n 8.3E-13 ^ 2.0;\n! MCM-based chemistry for aromatics, RACM2 rates for BEN, TOL, XYM\n BEN + HO = 0.4700*BENP + 0.5300*PHEN \n + 0.5300*HO2 # 2.33E-12 @ 193.;\n TOL + HO = 0.8200*TOLP + 0.1800*CSL \n + 0.1800*HO2 # 1.81E-12 @ -354.;\n XYM + HO = 0.8300*XYMP + 0.1700*CSL\n + 0.1700*HO2 # 2.33E-11;\n XYE + HO = 0.8200*XYEP + 0.1800*CSL\n + 0.1800*HO2 # 7.16E-12;\n ISO + HO = ISOP # 2.70E-11 @ -390.;\n API + HO = 0.975*APIP1 + 0.025*APIP2 # 1.21E-11 @ -440.;\n LIM + HO = 0.945*LIMP1 + 0.055*LIMP2 # 4.20E-11 @ -401.;\n PINAL + HO = 0.23*PINALP + 0.77*RCO3 # 5.20E-12 @ -600.;\n LIMAL + HO = 0.70*LIMALP + 0.30*RCO3 # 1.00E-10;\n HCHO + HO = HO2 + CO # 5.50E-12 @ -125.; \n ACD + HO = ACO3 # 4.70E-12 @ -345.; \n ALD + HO = RCO3 # 4.90E-12 @ -405.; \n ACT + HO = ACTP # 4.56E-14 ^ 3.65 @ 427;\n MEK + HO = MEKP # 1.5E-12 @ 90.;\n KET + HO = KETP # 2.8E-12 @ -10.; \n HKET + HO = HO2 + MGLY # 3.0E-12;\n MACR + HO = 0.57*MACP + 0.43*MCP # 8.00E-12 @ -380.;\n MVK + HO = MVKP # 2.60E-12 @ -610.;\n UALD + HO = 0.313*ACO3 + 0.687*UALP # 5.77E-12 @ -533.; \n GLY + HO = HO2 + 2.0*CO # 1.1E-11;\n MGLY + HO = ACO3 + CO # 9.26E-13 @ -830.;\n DCB1 + HO = 0.52*HO2 + 0.33*CO \n + 0.40*ALD\n + 0.78*KET \n + 0.10*GLY \n + 0.01*MGLY # 2.8E-11 @ -175.;\n DCB2 + HO = 0.52*HO2 + 0.33*CO \n + 0.13*MEK \n + 0.10*GLY \n + 0.01*MGLY \n + 0.78*OP2 # 2.8E-11 @ -175.;\n DCB3 + HO = 0.56*HO2 + 0.21*MACP \n + 0.11*CO \n + 0.27*GLY \n + 0.01*MGLY \n + 0.79*OP2 # 1.00E-11;\n BALD + HO = BALP # 5.32E-12 @ -243.;\n PHEN + HO = 0.152*ASOATJ + 0.619*HO2 \n + 0.170*ADDC \n + 0.059*CHO\n + 0.619*MCT # 6.75E-12 @ -405.;\n CSL + HO = 0.200*ASOATJ + 0.584*HO2 \n + 0.160*ADDC \n + 0.056*CHO\n + 0.584*MCT # 4.65E-11 @ 0.0;\n MCT + HO = MCTO # 2.05E-10 @ 0.0;\n MOH + HO = HO2 + HCHO # 2.85E-12 @ 345.;\n EOH + HO = HO2 + ACD # 3.0E-12 @ -20.;\n ROH + HO = HO2 + 0.719*ALD \n + 0.184*ACD # 2.6E-12 @ -200.;\n ETEG + HO = HO2 + ALD # 1.47E-11;\n OP1 + HO = 0.35*HO + 0.65*MO2\n + 0.35*HCHO # 2.9E-12 @ -190.;\n OP2 + HO = 0.01*HO + 0.44*HC3P\n + 0.07*XO2 \n + 0.08*ALD \n + 0.41*KET # 3.40E-12 @ -190.0;\n OPB + HO = 0.01*HO + 0.44*HC10P\n + 0.07*XO2\n + 0.08*ALD\n + 0.41*KET # 3.40E-12 @ -190.0;\n OP3 + HO = 0.01*HO + 0.44*HC10P\n + 0.07*XO2\n + 0.08*ALD\n + 0.41*KET # 3.40E-12 @ -190.0;\n ISHP + HO = HO + MACR\n + 0.904*IEPOX # 1.0E-10; \n MAHP + HO = MACP # 3.0E-11;\n ORA1 + HO = HO2 # 4.5E-13;\n ORA2 + HO = 0.64*MO2 + 0.36*ORAP # 4.0E-14 @ -850.;\n PAA + HO = 0.35*HO + 0.65*ACO3 \n + 0.35*XO2\n + 0.35*HCHO # 2.93E-12 @ -190.;\n PAN + HO = XO2 + NO3\n + HCHO # 4.0E-14;\n PPN + HO = XO2 + NO3\n + HCHO # 4.0E-14;\n MPAN + HO = NO2 + HKET # 3.2E-11;\n ONIT + HO = HC3P + NO2 # 5.31E-12 @ 260.;\n TRPN + HO = HOM # 4.80E-12;\n NALD + HO = NO2 + XO2 \n + HKET # 5.6E-12 @ -270.;\n ISON + HO = NALD + 0.07*HKET\n + 0.07*HCHO # 1.3E-11; \n ETE + O3 = 0.08*HO + 0.15*HO2\n + 0.43*CO\n + HCHO\n + 0.37*ORA1 # 9.14E-15 @ 2580.;\n OLT + O3 = 0.22*HO + 0.32*HO2 \n + 0.08*MO2 \n + 0.06*ETHP \n + 0.04*HC3P \n + 0.02*HC5P \n + 0.068*H2O2 \n + 0.43*CO \n + 0.02*ETH \n + 0.015*HC3 \n + 0.006*HC5 \n + 0.032*BEN \n + 0.56*HCHO \n + 0.01*ACD \n + 0.44*ALD \n + 0.03*ACT \n + 0.02*BALD \n + 0.06*MEK \n + 0.01*HKET \n + 0.03*ORA1 \n + 0.06*ORA2 # 4.33E-15 @ 1800.0;\n OLI + O3 = 0.46*HO + 0.07*HO2 \n + 0.32*MO2 \n + 0.07*ETHP \n + 0.04*HC3P \n + 0.09*ACO3 \n + 0.37*CO \n + 0.026*H2O2 \n + 0.01*ETH \n + 0.01*HC3 \n + 0.09*HCHO \n + 0.457*ACD\n + 0.73*ALD \n + 0.11*ACT \n + 0.017*KET \n + 0.044*HKET \n + 0.017*ORA2 # 4.40E-15 @ 845.0; \n ISO + O3 = 0.25*HO + 0.25*HO2\n + 0.08*MO2\n + 0.1*ACO3\n + 0.1*MACP\n + 0.09*H2O2\n + 0.14*CO\n + 0.58*HCHO\n + 0.461*MACR\n + 0.189*MVK\n + 0.28*ORA1\n + 0.153*OLT # 7.86E-15 @ 1913.;\n API + O3 = 0.90*HO + 0.90*APIP1\n + 0.05*APIP2\n + 0.05*PINAL\n + 0.05*H2O2\n + 0.14*CO # 5.0E-16 @ 530.;\n LIM + O3 = 0.84*HO + 0.84*LIMP1 \n + 0.11*LIMP2\n + 0.05*LIMAL\n + 0.05*H2O2\n + 0.14*CO # 2.95E-15 @ 783.;\n LIMAL + O3 = 0.04*HO + 0.67*HC10P\n + 0.79*HCHO\n + 0.33*KET\n + 0.04*HO2\n + 0.20*CO # 8.30E-18;\n TRPN + O3 = HOM # 1.67E-16;\n MACR + O3 = 0.19*HO + 0.14*HO2\n + 0.10*ACO3 \n + 0.22*CO\n + 0.50*MGLY \n + 0.45*ORA1 # 1.36E-15 @ 2112.;\n MVK + O3 = 0.16*HO + 0.11*HO2\n + 0.28*ACO3\n + 0.01*XO2\n + 0.56*CO\n + 0.10*HCHO\n + 0.54*MGLY\n + 0.07*ORA1\n + 0.07*ORA2\n + 0.10*ALD # 8.50E-16 @ 1520.;\n UALD + O3 = 0.100*HO + 0.072*HO2 \n + 0.008*MO2 \n + 0.002*ACO3 \n + 0.10*XO2 \n + 0.243*CO \n + 0.080*HCHO \n + 0.420*ACD \n + 0.028*KET \n + 0.491*GLY \n + 0.003*MGLY \n + 0.044*ORA1 # 1.66E-18;\n DCB1 + O3 = 0.05*HO + HO2 \n + 0.60*RCO3 \n + 0.60*XO2 \n + 1.50*CO \n + 0.05*HCHO \n + 0.05*GLY \n + 0.08*MGLY \n + 0.65*OP2 # 2.0E-16;\n DCB2 + O3 = 0.05*HO + HO2 \n + 0.60*RCO3 \n + 0.60*XO2 \n + 1.50*CO \n + 0.05*HCHO \n + 0.05*GLY \n + 0.08*MGLY \n + 0.70*DCB1 \n + 0.65*OP2 # 2.0E-16;\n DCB3 + O3 = 0.05*HO + HO2 \n + 1.50*CO \n + 0.48*GLY \n + 0.70*DCB1 \n + 0.25*ORA1 \n + 0.25*ORA2 \n + 0.11*PAA # 9.0E-17;\n MCTO + O3 = MCTP # 2.86E-13;\n ETE + NO3 = 0.80*OLNN + 0.20*OLND # 4.392E-13^2.0@2282.0; \n OLT + NO3 = 0.43*OLNN + 0.57*OLND # 1.79E-13 @ 450.;\n OLI + NO3 = 0.11*OLNN + 0.89*OLND # 8.64E-13 @ -450.;\n ISO + NO3 = ISON # 3.03E-12 @ 446.;\n API + NO3 = 0.975*APINP1 + 0.025*APINP2 # 1.19E-12 @ -490.;\n LIM + NO3 = 0.945*LIMNP1 + 0.055*LIMNP2 # 1.22E-11;\n TRPN + NO3 = HOM # 3.15E-14 @ 448.;\n HCHO + NO3 = HO2 + CO \n + HNO3 # 2.0E-12 @ 2440.;\n ACD + NO3 = ACO3 + HNO3 # 1.4E-12 @ 1900.;\n ALD + NO3 = RCO3 + HNO3 # 3.76E-12 @ 1900.;\n MACR + NO3 = 0.68*HCHO + 0.32*MACP\n + 0.68*XO2\n + 0.68*MGLY\n + 0.32*HNO3 \n + 0.68*NO2 # 3.40E-15;\n UALD + NO3 = HO2 + XO2\n + 0.668*CO\n + 0.332*HCHO\n + 0.332*ALD\n + ONIT # 5.02E-13 @ 1076.;\n GLY + NO3 = HO2 + 2.0*CO \n + HNO3 # 2.90E-12 @ 1900.;\n MGLY + NO3 = ACO3 + CO \n + HNO3 # 3.76E-12 @ 1900.;\n PHEN + NO3 = 0.152*ASOATJ + 0.339*CHO \n + 0.85*ADDC\n + 0.424*ADCN \n + 0.424*HNO3 # 3.78E-12;\n CSL + NO3 = 0.200*ASOATJ + 0.320*CHO \n + 0.08*ADDC \n + 0.4*ADCN \n + 0.4*HNO3 # 1.06E-12;\n MCT + NO3 = MCTO + HNO3 # 2.01E-10;\n MPAN + NO3 = MACP + NO2 # 2.2E-14 @ 500.;\n PINALP = HOM # 1.0;\n LIMALP = HOM # 1.0;\n ACO3 + NO2 = PAN # 9.7E-29 ^ -5.6 &\n 9.3E-12 ^ -1.5;\n PAN = ACO3 + NO2 # 9.00E-29 @ -14000.0\n *E;\n RCO3 + NO2 = PPN # 9.7E-29 ^ -5.6 &\n 9.3E-12 ^ -1.5;\n PPN = RCO3 + NO2 # 9.00E-29 @ -14000.0\n *E; \n MACP + NO2 = MPAN # 2.80E-12 @ -181.; \n MPAN = MACP + NO2 # 1.60E+16 @ 13486.; \n MO2 + NO = HO2 + NO2 \n + HCHO # 2.80E-12 @ -300.;\n ETHP + NO = HO2 + NO2\n + ACD # 2.6E-12 @ -365.;\n HC3P + NO = 0.660*HO2 + 0.131*MO2\n + 0.048*ETHP\n + 0.089*XO2\n + 0.935*NO2 \n + 0.504*ACD \n + 0.132*ALD \n + 0.165*ACT\n + 0.042*MEK\n + 0.065*ONIT # 4.0E-12;\n HC5P + NO = 0.200*HO2 + 0.051*MO2\n + 0.231*ETHP\n + 0.235*XO2\n + 0.864*NO2\n + 0.018*HCHO\n + 0.045*ACD\n + 0.203*ALD \n + 0.033*MEK\n + 0.217*ACT \n + 0.033*KET\n + 0.272*HKET \n + 0.136*ONIT # 4.0E-12;\n ETEP + NO = HO2 + NO2 \n + 1.6*HCHO \n + 0.2*ALD # 9.0E-12;\n OLTP + NO = 0.78*HO2 + 0.97*NO2 \n + 0.78*HCHO \n + 0.012*ACD \n + 0.44*ALD \n + 0.06*ACT \n + 0.13*MEK \n + 0.03*ONIT # 4.00E-12;\n OLIP + NO = 0.83*HO2 + 0.95*NO2 \n + 0.81*ACD\n + 0.68*ALD \n + 0.20*ACT \n + 0.09*KET \n + 0.02*HKET \n + 0.05*ONIT # 4.00E-12;\n! MCM-based aromatics with Lu et al. updates\n BENP + NO = 0.0000*ONIT\n + 0.0012*VROCP4OXY2\n + 0.0008*VROCN1OXY6\n + 0.9980*NO2\n + 0.9980*HO2\n + 0.0000*BALD\n + 0.9980*GLY\n + 0.4990*FURANONE\n + 0.2495*DCB2\n + 0.2495*DCB3 # 2.7E-12 @ -360.;\n TOLP + NO = 0.0002*ONIT\n + 0.0013*VROCP4OXY2\n + 0.0006*VROCN1OXY6\n + 0.9980*NO2\n + 0.9980*HO2\n + 0.0852*BALD\n + 0.5477*GLY\n + 0.3651*MGLY\n + 0.3651*FURANONE\n + 0.5477*DCB1 # 2.7E-12 @ -360.;\n XYMP + NO = 0.0001*ONIT\n + 0.0013*VROCP3OXY2\n + 0.0006*VROCP0OXY4\n + 0.9980*NO2\n + 0.9980*HO2\n + 0.0481*BALD\n + 0.7029*GLY\n + 0.2470*MGLY\n + 0.3515*FURANONE\n + 0.5984*DCB2 # 2.7E-12 @ -360.;\n XYEP + NO = 0.0002*ONIT\n + 0.0013*VROCP3OXY2\n + 0.0006*VROCP0OXY4\n + 0.9980*NO2\n + 0.9980*HO2\n + 0.0852*BALD\n + 0.5477*GLY\n + 0.3651*MGLY\n + 0.4564*FURANONE\n + 0.4564*DCB2 # 2.7E-12 @ -360.;\n\n ISOP + NO = 0.880*HO2 + 0.880*NO2\n + 0.200*HCHO\n + 0.280*MACR\n + 0.440*MVK \n + 0.120*ISON\n + 0.021*GLY\n + 0.029*HKET\n + 0.027*ALD # 2.43E-12 @ -360.;\n APIP1 + NO = 0.82*HO2 + 0.82*NO2 \n + 0.82*PINAL\n + 0.18*TRPN # 4.0E-12;\n APIP2 + NO = 0.82*HO + 0.82*NO2\n + HOM # 4.0E-12;\n APINP1 + NO = 2*NO2 + PINAL # 4.0E-12;\n APINP2 + NO = 0.82*NO2 + 0.82*HO\n + HOM # 4.0E-12;\n LIMP1 + NO = 0.77*HO2 + 0.77*NO2\n + 0.49*LIMAL\n + 0.28*HCHO\n + 0.28*UALD\n + 0.23*TRPN # 4.0E-12;\n LIMP2 + NO = 0.77*HO + 0.77*NO2\n + HOM # 4.0E-12;\n LIMNP1 + NO = 2*NO2 + LIMAL # 4.0E-12;\n LIMNP2 + NO = 0.77*NO2 + 0.77*HO\n + HOM # 4.0E-12;\n PINALP + NO = 0.95*HO2 + 0.95*NO2 \n + 0.05*TRPN\n + 0.95*HCHO\n + 0.95*KET # 2.7E-12 @ -360.;\n LIMALP + NO = 0.94*HO2 + 0.94*NO2\n + 0.06*TRPN\n + 0.94*HCHO\n + 0.94*KET # 2.7E-12 @ -360.;\n ACO3 + NO = MO2 + NO2 # 8.1E-12 @ -270.;\n RCO3 + NO = ETHP + NO2 # 8.1E-12 @ -270.;\n ACTP + NO = ACO3 + NO2\n + HCHO # 2.9E-12 @ -300.;\n MEKP + NO = 0.67*HO2 + NO2 \n + 0.33*HCHO \n + 0.67*DCB1 # 4.0E-12;\n KETP + NO = 0.77*HO2 + 0.23*ACO3\n + 0.16*XO2\n + NO2\n + 0.46*ALD\n + 0.54*MGLY # 4.0E-12;\n MACP + NO = 0.65*MO2 + 0.35*ACO3\n + NO2\n + 0.65*CO\n + 0.65*HCHO # 2.54E-12 @ -360.;\n MCP + NO = NO2 + 0.50*HO2\n + 0.50*HCHO\n + HKET # 2.54E-12 @ -360.;\n MVKP + NO = 0.3*HO2 + 0.7*ACO3 \n + 0.7*XO2\n + NO2\n + 0.3*HCHO\n + 0.7*ALD \n + 0.3*MGLY # 2.54E-12 @ -360.;\n UALP + NO = HO2 + NO2\n + 0.61*CO\n + 0.03*HCHO\n + 0.27*ALD\n + 0.18*GLY\n + 0.7*KET\n + 0.21*MGLY # 2.54E-12 @ -360.;\n BALP + NO = BAL1 + NO2 # 4.0E-12;\n BAL1 + NO = BAL2 + NO2 # 4.0E-12;\n ADDC + NO = HO2 + NO2\n + 0.32*HKET \n + 0.68*GLY\n + 0.68*OP2 # 2.7E-12 @ -360.;\n MCTP + NO = MCTO + NO2 # 2.7E-12 @ -360.;\n ORAP + NO = NO2 + GLY\n + HO2 # 4.0E-12;\n OLNN + NO = NO2 + HO2\n + ONIT # 4.0E-12;\n OLND + NO = 2.00*NO2 + 0.287*HCHO\n + 1.24*ALD \n + 0.464*KET # 4.0E-12;\n ADCN + NO = 2.0*NO2 + GLY \n + OP2 # 2.7E-12 @ -360.;\n XO2 + NO = NO2 # 4.0E-12;\n BAL2 + NO2 = ONIT # 2.0E-11;\n CHO + NO2 = ONIT # 2.0E-11;\n MCTO + NO2 = ONIT # 2.08E-12;\n MO2 + HO2 = OP1 # 4.1E-13 @ -750.;\n ETHP + HO2 = OP2 # 7.5E-13 @ -700.;\n HC3P + HO2 = OP2 # 1.66E-13 @ -1300.;\n HC5P + HO2 = OP2 # 1.66E-13 @ -1300.;\n ETEP + HO2 = OP2 # 1.90E-13 @ -1300.; \n OLTP + HO2 = OP2 # 1.66E-13 @ -1300.;\n OLIP + HO2 = OP2 # 1.66E-13 @ -1300.;\n! MCM-based aromatics\n BENP + HO2 = 0.0000*OP2\n + 0.6021*OP2\n + 0.3979*VROCN1OXY6 # 2.91E-13 @ -1300.;\n TOLP + HO2 = 0.0854*OP2\n + 0.6341*OP2\n + 0.2805*VROCN1OXY6 # 2.91E-13 @ -1300.;\n XYMP + HO2 = 0.0482*OP2\n + 0.6747*OP3\n + 0.2771*VROCP0OXY4 # 2.91E-13 @ -1300.;\n XYEP + HO2 = 0.0854*OP2\n + 0.6341*OP3\n + 0.2805*VROCP0OXY4 # 2.91E-13 @ -1300.;\n\n ISOP + HO2 = ISHP # 2.05E-13 @ -1300.;\n APIP1 + HO2 = OPB # 1.5E-11;\n APIP2 + HO2 = HOM # 1.5E-11;\n APINP1 + HO2 = TRPN # 1.5E-11;\n APINP2 + HO2 = HOM # 1.5E-11;\n LIMP1 + HO2 = OPB # 1.5E-11;\n LIMP2 + HO2 = HOM # 1.5E-11;\n LIMNP1 + HO2 = TRPN # 1.5E-11;\n LIMNP2 + HO2 = HOM # 1.5E-11;\n PINALP + HO2 = OPB # 2.91E-13 @ -1300.;\n LIMALP + HO2 = OPB # 2.91E-13 @ -1300.;\n ACO3 + HO2 = 0.44*HO + 0.44*MO2\n + 0.15*ORA2\n + 0.41*PAA # 4.3E-13 @ -1040.;\n RCO3 + HO2 = 0.44*HO + 0.44*ETHP\n + 0.15*ORA2\n + 0.41*PAA # 4.3E-13 @ -1040.;\n ACTP + HO2 = 0.150*HO + 0.150*ACO3 \n + 0.150*HCHO\n + 0.850*OP2 # 1.15E-13 @ -1300.;\n MEKP + HO2 = OP2 # 1.15E-13 @ -1300.;\n KETP + HO2 = OP2 # 1.15E-13 @ -1300.;\n MACP + HO2 = MAHP # 1.82E-13 @ -1300.;\n MCP + HO2 = MAHP # 1.82E-13 @ -1300.;\n MVKP + HO2 = OP2 # 2.91E-13 @ -1300.;\n UALP + HO2 = OP2 # 2.91E-13 @ -1300.;\n ADDC + HO2 = OP2 # 3.75E-13 @ -980.;\n CHO + HO2 = CSL # 1.00E-11;\n MCTP + HO2 = OP2 # 3.75E-13 @ -980.;\n ORAP + HO2 = OP2 # 1.15E-13 @ -1300.;\n OLNN + HO2 = ONIT # 1.66E-13 @ -1300.; \n OLND + HO2 = ONIT # 1.66E-13 @ -1300.;\n ADCN + HO2 = OP2 # 3.75E-13 @ -980.;\n XO2 + HO2 = OP2 # 1.66E-13 @ -1300.;\n MO2 + MO2 = 0.74*HO2 + 1.37*HCHO\n + 0.63*MOH # 9.5E-14 @ -390.;\n ETHP + MO2 = HO2 + 0.75*HCHO \n + 0.75*ACD\n + 0.250*MOH\n + 0.250*EOH # 1.18E-13 @ -158.;\n HC3P + MO2 = 0.894*HO2 + 0.080*MO2\n + 0.026*ETHP\n + 0.026*XO2\n + 0.827*HCHO\n + 0.198*ALD\n + 0.497*KET\n + 0.050*GLY\n + 0.250*MOH\n + 0.250*ROH # 9.46E-14 @ -431.;\n HC5P + MO2 = 0.842*HO2 + 0.018*MO2\n + 0.140*ETHP\n + 0.191*XO2\n + 0.777*HCHO\n + 0.251*ALD\n + 0.618*KET\n + 0.250*MOH\n + 0.250*ROH # 1.0E-13 @ -467.;\n ETEP + MO2 = HO2 + 1.95*HCHO \n + 0.15*ALD\n + 0.250*MOH\n + 0.250*ETEG # 1.71E-13 @ -708.;\n OLTP + MO2 = HO2 + 1.50*HCHO\n + 0.705*ALD\n + 0.045*KET\n + 0.250*MOH\n + 0.250*ROH # 1.46E-13 @ -708.;\n OLIP + MO2 = HO2 + 0.750*HCHO \n + 1.28*ALD\n + 0.218*KET\n + 0.250*MOH\n + 0.250*ROH # 9.18E-14 @ -708.;\n! MCM-based aromatics\n BENP + MO2 = 0.6800*HCHO\n + 1.3700*HO2\n + 0.3200*MOH\n + 0.0000*BALD\n + 1.0000*GLY\n + 0.5000*FURANONE\n + 0.2500*DCB2\n + 0.2500*DCB3 # 3.56E-14 @ -708.;\n TOLP + MO2 = 0.6800*HCHO\n + 1.2846*HO2\n + 0.3200*MOH\n + 0.0854*BALD\n + 0.5488*GLY\n + 0.3659*MGLY\n + 0.3659*FURANONE\n + 0.5488*DCB1 # 3.56E-14 @ -708.;\n XYMP + MO2 = 0.6800*HCHO\n + 1.3218*HO2\n + 0.3200*MOH\n + 0.0482*BALD\n + 0.7043*GLY\n + 0.2475*MGLY\n + 0.3522*FURANONE\n + 0.5996*DCB2 # 3.56E-14 @ -708.;\n XYEP + MO2 = 0.6800*HCHO\n + 1.2846*HO2\n + 0.3200*MOH\n + 0.0854*BALD\n + 0.5488*GLY\n + 0.3659*MGLY\n + 0.4573*FURANONE\n + 0.4573*DCB2 # 3.56E-14 @ -708.;\n\n ISOP + MO2 = HO2 + 1.31*HCHO \n + 0.159*MACR\n + 0.250*MVK\n + 0.250*MOH\n + 0.250*ROH\n + 0.023*ALD\n + 0.018*GLY\n + 0.016*HKET # 3.4E-14 @ -221.;\n APIP1 + MO2 = HO2 + 0.680*HCHO \n + 0.600*PINAL \n + 0.070*KET\n + 0.320*MOH\n + 0.250*ROH # 3.56E-14 @ -708.;\n APIP2 + MO2 = HO2 + 0.750*HCHO\n + 0.250*MOH\n + HOM # 1.00E-10;\n APINP1 + MO2 = 0.37*HO2 + 0.860*NO2\n + 0.680*HCHO\n + 0.860*PINAL\n + 0.320*MOH\n + 0.140*TRPN # 3.56E-14 @ -708.;\n APINP2 + MO2 = 0.75*HO2 + 0.750*NO2\n + 0.250*MOH\n + 0.750*HCHO\n + HOM # 1.00E-10;\n LIMP1 + MO2 = HO2 + HCHO \n + 0.420*LIMAL\n + 0.300*KET \n + 0.320*MOH\n + 0.270*ROH # 3.56E-14 @ -708.;\n LIMP2 + MO2 = HO2 + 0.750*HCHO\n + 0.250*MOH\n + HOM # 1.00E-10;\n LIMNP1 + MO2 = 0.37*HO2 + 0.680*HCHO\n + 0.700*LIMAL\n + 0.700*NO2\n + 0.320*MOH\n + 0.300*TRPN # 3.56E-14 @ -708.;\n LIMNP2 + MO2 = 0.75*HO2 + 0.750*HCHO\n + 0.750*NO2\n + 0.250*MOH\n + HOM # 1.00E-10;\n ACO3 + MO2 = 0.9*HO2 + 0.9*MO2\n + HCHO \n + 0.1*ORA2 # 2.0E-11 @ -500.;\n RCO3 + MO2 = 0.9*HO2 + 0.9*MO2\n + HCHO \n + 0.1*ORA2 # 2.0E-11 @ -500.;\n ACTP + MO2 = 0.50*HO2 + 0.50*ACO3\n + 1.50*HCHO\n + 0.25*MOH\n + 0.25*ROH \n + 0.125*ORA2 # 7.5E-13 @ -500.;\n MEKP + MO2 = 0.834*HO2 + HCHO \n + 0.334*DCB1 \n + 0.25*MOH\n + 0.25*ROH # 6.91E-13 @ -508.;\n KETP + MO2 = HO2 + 0.75*HCHO \n + 0.50*DCB1 \n + 0.25*MOH\n + 0.25*ROH # 6.91E-13 @ -508.; \n MACP + MO2 = 0.50*HO2 + 0.269*ACO3\n + 0.500*CO\n + 1.66*HCHO \n + 0.067*ORA2\n + 0.250*MO2\n + 0.250*MOH\n + 0.250*ROH # 3.4E-14 @ -221.;\n MCP + MO2 = NO2 + HO2\n + 1.50*HCHO \n + 0.50*HKET\n + 0.250*MOH\n + 0.250*ROH # 3.4E-14 @ -221.; \n MVKP + MO2 = HO2 + 1.16*ACO3\n + 1.16*XO2\n + 1.5*HCHO \n + 1.75*ALD\n + 0.500*MGLY\n + 0.250*MOH\n + 0.250*ROH \n + 0.292*ORA2 # 8.37E-14;\n UALP + MO2 = HO2 + 0.305*CO \n + 0.773*HCHO \n + 0.203*ALD\n + 0.525*KET\n + 0.135*GLY\n + 0.105*MGLY\n + 0.250*MOH\n + 0.250*ROH # 3.4E-14 @ -221.;\n BALP + MO2 = HO2 + BAL1 \n + HCHO # 3.56E-14 @ -708.;\n BAL1 + MO2 = HO2 + BAL2 \n + HCHO # 3.56E-14 @ -708.;\n ADDC + MO2 = 2.0*HO2 + HCHO \n + 0.32*HKET\n + 0.68*GLY\n + 0.68*OP2 # 3.56E-14 @ -708.;\n MCTP + MO2 = HO2 + MCTO \n + HCHO # 3.56E-14 @ -708.;\n ORAP + MO2 = HCHO + HO2\n + GLY # 7.50E-13 @ -500.;\n OLNN + MO2 = 2.00*HO2 + HCHO\n + ONIT # 1.6E-13 @ -708.;\n OLND + MO2 = 0.500*HO2 + 0.500*NO2 \n + 0.965*HCHO \n + 0.930*ALD\n + 0.348*KET\n + 0.250*MOH\n + 0.250*ROH\n + 0.500*ONIT # 9.68E-14 @ -708.;\n ADCN + MO2 = HO2 + 0.7*NO2\n + HCHO \n + 0.7*GLY\n + 0.7*OP2\n + 0.3*ONIT # 3.56E-14;\n XO2 + MO2 = HO2 + HCHO # 5.99E-15 @ -1510.;\n ETHP + ACO3 = 0.500*HO2 + 0.5*MO2 \n + ACD \n + 0.5*ORA2 # 1.03E-12 @ -211.;\n HC3P + ACO3 = 0.394*HO2 + 0.580*MO2\n + 0.026*ETHP\n + 0.026*XO2\n + 0.130*HCHO\n + 0.273*ALD \n + 0.662*KET\n + 0.067*GLY\n + 0.500*ORA2 # 6.9E-13 @ -460.;\n HC5P + ACO3 = 0.342*HO2 + 0.518*MO2\n + 0.140*ETHP\n + 0.191*XO2 \n + 0.042*HCHO\n + 0.381*ALD \n + 0.824*KET\n + 0.500*ORA2 # 5.59E-13 @ -522.;\n ETEP + ACO3 = 0.5*HO2 + 0.5*MO2 \n + 1.6*HCHO \n + 0.2*ALD \n + 0.5*ORA2 # 9.48E-13 @ -765.; \n OLTP + ACO3 = 0.500*HO2 + 0.500*MO2 \n + HCHO \n + 0.940*ALD \n + 0.060*KET\n + 0.500*ORA2 # 8.11E-13 @ -765.;\n OLIP + ACO3 = 0.500*HO2 + 0.500*MO2 \n + 1.71*ALD \n + 0.290*KET\n + 0.500*ORA2 # 5.09E-13 @ -765.;\n! MCM-based aromatics\n BENP + ACO3 = 0.7000*MO2\n + 1.0000*HO2\n + 0.3000*ORA2\n + 0.0000*BALD\n + 1.0000*GLY\n + 0.5000*FURANONE\n + 0.2500*DCB2\n + 0.2500*DCB3 # 7.4E-13 @ -765.;\n TOLP + ACO3 = 0.7000*MO2\n + 0.9146*HO2\n + 0.3000*ORA2\n + 0.0854*BALD\n + 0.5488*GLY\n + 0.3659*MGLY\n + 0.3659*FURANONE\n + 0.5488*DCB1 # 7.4E-13 @ -765.;\n XYMP + ACO3 = 0.7000*MO2\n + 0.9518*HO2\n + 0.3000*ORA2\n + 0.0482*BALD\n + 0.7043*GLY\n + 0.2475*MGLY\n + 0.3522*FURANONE\n + 0.5996*DCB2 # 7.4E-13 @ -765.;\n XYEP + ACO3 = 0.7000*MO2\n + 0.9146*HO2\n + 0.3000*ORA2\n + 0.0854*BALD\n + 0.5488*GLY\n + 0.3659*MGLY\n + 0.4573*FURANONE\n + 0.4573*DCB2 # 7.4E-13 @ -765.;\n\n\n ISOP + ACO3 = 0.5*HO2 + 0.5*MO2\n + 1.048*HCHO\n + 0.219*MACR\n + 0.305*MVK \n + 0.5*ORA2 # 8.4E-14 @ -221.;\n APIP1 + ACO3 = 0.63*HO2 + 0.7*MO2 \n + 0.6*PINAL\n + 0.3*ORA2 \n + 0.07*KET\n + 0.25*ROH # 7.4E-13 @ -765.;\n APIP2 + ACO3 = 0.5*HO + 0.5*MO2\n + 0.5*ORA2\n + HOM # 1.0E-10;\n APINP1 + ACO3 = 0.86*NO2 + 0.14*TRPN\n + 0.86*PINAL\n + 0.7*MO2\n + 0.3*ORA2 # 7.4E-13 @ -765.;\n APINP2 + ACO3 = 0.5*NO2 + 0.5*MO2\n + 0.5*ORA2\n + HOM # 1.0E-10;\n LIMP1 + ACO3 = 0.63*HO2 + 0.7*MO2 \n + 0.42*LIMAL\n + 0.3*KET\n + 0.3*ORA2\n + 0.32*HCHO \n + 0.27*ROH # 7.4E-13 @ -765.;\n LIMP2 + ACO3 = 0.5*HO + 0.5*MO2\n + 0.5*ORA2\n + HOM # 1.0E-10;\n LIMNP1 + ACO3 = 0.7*NO2 + 0.7*LIMAL\n + 0.3*TRPN\n + 0.7*MO2\n + 0.3*ORA2 # 7.4E-13 @ -765.;\n LIMNP2 + ACO3 = 0.5*MO2 + 0.5*NO2\n + 0.5*ORA2\n + HOM # 1.0E-10;\n ACO3 + ACO3 = 2.0*MO2 # 2.5E-12 @ -500.;\n RCO3 + ACO3 = MO2 + ETHP # 2.5E-12 @ -500.;\n ACTP + ACO3 = 0.50*MO2 + 0.50*ACO3 \n + HCHO \n + 0.75*ORA2 # 7.51E-13 @ -565.;\n MEKP + ACO3 = 0.33*HO2 + 0.50*MO2 \n + 0.33*HCHO \n + 0.334*DCB1\n + 0.50*ORA2 # 7.51E-13 @ -565.;\n KETP + ACO3 = 0.50*HO2 + 0.50*MO2 \n + 0.50*DCB1 \n + 0.50*ORA2 # 7.51E-13 @ -565.;\n MACP + ACO3 = 0.635*ORA2 + 0.50*MO2\n + 0.269*ACO3\n + 0.500*CO\n + HCHO # 8.4E-14 @ -221.; \n MCP + ACO3 = NO2 + 0.50*HO2\n + HCHO\n + 0.5*HKET\n + 0.5*MO2\n + 0.5*ORA2 # 8.4E-14 @ -221.; \n MVKP + ACO3 = 0.5*HO2 + 0.5*MO2\n + 1.16*ACO3 \n + 1.16*XO2\n + HCHO\n + 2.3*ALD\n + 0.5*MGLY\n + 1.083*ORA2 # 1.68E-12 @ -500.;\n UALP + ACO3 = 0.5*HO2 + 0.5*MO2\n + 0.5*CO\n + 0.030*HCHO\n + 0.27*ALD\n + 0.7*KET\n + 0.18*GLY\n + 0.105*MGLY\n + 0.5*ORA2 # 1.68E-12 @ -500.;\n BALP + ACO3 = MO2 + BAL1 # 7.4E-13 @ -765.;\n BAL1 + ACO3 = MO2 + BAL2 # 7.4E-13 @ -765.;\n ADDC + ACO3 = 2.00*HO2 + MO2\n + 0.32*HKET\n + 0.68*GLY\n + 0.68*OP2 # 7.4E-13 @ -708.;\n MCTP + ACO3 = HO2 + MO2 \n + MCTO # 7.4E-13 @ -708.;\n ORAP + ACO3 = MO2 + GLY # 7.51E-13 @ -565.;\n OLNN + ACO3 = HO2 + MO2 \n + ONIT # 8.85E-13 @ -765.;\n OLND + ACO3 = 0.500*MO2 + NO2 \n + 0.287*HCHO \n + 1.24*ALD \n + 0.464*KET\n + 0.500*ORA2 # 5.37E-13 @ -765.;\n ADCN + ACO3 = HO2 + MO2\n + 0.7*NO2\n + 0.7*GLY\n + 0.7*OP2\n + 0.3*ONIT # 7.4E-13 @ -708.;\n XO2 + ACO3 = MO2 # 3.4E-14 @ -1560.;\n RCO3 + RCO3 = 2.0*ETHP # 2.50E-12 @ -500.0;\n MO2 + NO3 = HO2 + HCHO\n + NO2 # 1.20E-12;\n ETHP + NO3 = HO2 + NO2 \n + ACD # 1.2E-12;\n HC3P + NO3 = 0.254*HO2 + 0.140*MO2 \n + 0.092*XO2 \n + 0.503*ETHP \n + NO2 \n + 0.519*ACD \n + 0.147*ALD \n + 0.075*MEK \n + 0.095*ACT # 1.20E-12;\n HC5P + NO3 = 0.488*HO2 + 0.055*MO2 \n + 0.280*ETHP \n + 0.485*XO2 \n + NO2 \n + 0.024*HCHO \n + 0.241*ALD \n + 0.060*KET \n + 0.063*MEK \n + 0.247*ACT \n + 0.048*ACD \n + 0.275*HKET # 1.20E-12;\n ETEP + NO3 = HO2 + NO2\n + 1.6*HCHO \n + 0.2*ALD # 1.2E-12; \n OLTP + NO3 = 0.47*ALD + 0.79*HCHO \n + 0.79*HO2 \n + NO2 \n + 0.18*MEK \n + 0.02*ACD \n + 0.09*ACT # 1.20E-12; \n OLIP + NO3 = 0.86*HO2 + 0.72*ALD \n + 0.11*KET \n + NO2 \n + 0.20*ACT \n + 0.85*ACD \n + 0.04*HKET # 1.20E-12;\n! MCM-based aromatics\n BENP + NO3 = 1.0000*NO2\n + 1.0000*HO2\n + 0.0000*BALD\n + 1.0000*GLY\n + 0.5000*FURANONE\n + 0.2500*DCB2\n + 0.2500*DCB3 # 2.3E-12;\n TOLP + NO3 = 1.0000*NO2\n + 0.9146*HO2\n + 0.0854*BALD\n + 0.5488*GLY\n + 0.3659*MGLY\n + 0.3659*FURANONE\n + 0.5488*DCB1 # 2.3E-12;\n XYMP + NO3 = 1.0000*NO2\n + 0.9518*HO2\n + 0.0482*BALD\n + 0.7043*GLY\n + 0.2475*MGLY\n + 0.3522*FURANONE\n + 0.5996*DCB2 # 2.3E-12;\n XYEP + NO3 = 1.0000*NO2\n + 0.9146*HO2\n + 0.0854*BALD\n + 0.5488*GLY\n + 0.3659*MGLY\n + 0.4573*FURANONE\n + 0.4573*DCB2 # 2.3E-12;\n\n\n ISOP + NO3 = HO2 + NO2 \n + 0.75*HCHO \n + 0.318*MACR \n + 0.500*MVK\n + 0.024*GLY\n + 0.033*HKET\n + 0.031*ALD # 1.2E-12;\n APIP1 + NO3 = HO2 + NO2\n + ALD \n + KET # 1.2E-12;\n LIMP1 + NO3 = HO2 + NO2\n + 0.385*OLI\n + 0.385*HCHO\n + 0.615*MACR # 1.2E-12;\n ACO3 + NO3 = MO2 + NO2 # 4.0E-12;\n RCO3 + NO3 = ETHP + NO2 # 4.0E-12;\n ACTP + NO3 = ACO3 + NO2\n + HCHO # 1.2E-12;\n MEKP + NO3 = 0.67*HO2 + NO2\n + 0.33*HCHO\n + 0.67*DCB1 # 1.2E-12;\n KETP + NO3 = HO2 + NO2 \n + DCB1 # 1.2E-12;\n MACP + NO3 = HCHO + 0.538*ACO3\n + CO\n + NO2 # 1.2E-12;\n MCP + NO3 = NO2 + HO2\n + HCHO\n + HKET # 1.2E-12;\n MVKP + NO3 = 0.30*HO2 + 0.70*ACO3 \n + 0.70*XO2 \n + NO2 \n + 0.30*HCHO\n + 0.70*ALD \n + 0.30*MGLY # 2.5E-12;\n UALP + NO3 = HO2 + NO2\n + 0.61*CO\n + 0.03*HCHO\n + 0.27*ALD\n + 0.7*KET\n + 0.18*GLY\n + 0.21*MGLY # 2.5E-12;\n BALP + NO3 = BAL1 + NO2 # 2.5E-12;\n BAL1 + NO3 = BAL2 + NO2 # 2.5E-12;\n ADDC + NO3 = HO2 + NO2\n + 0.32*HKET \n + 0.68*GLY\n + 0.68*OP2 # 1.2E-12;\n MCTP + NO3 = NO2 + MCTO # 1.2E-12;\n ORAP + NO3 = NO2 + GLY\n + HO2 # 1.2E-12;\n OLNN + NO3 = HO2 + NO2 \n + ONIT # 1.2E-12;\n OLND + NO3 = 2.00*NO2 + 0.287*HCHO\n + 1.24*ALD \n + 0.464*KET # 1.2E-12;\n ADCN + NO3 = 2.0*NO2 + GLY\n + OP2 # 1.2E-12;\n OLNN + OLNN = HO2 + 2.00*ONIT # 7.0E-14 @ -1000.;\n OLNN + OLND = 0.500*HO2 + 0.500*NO2 \n + 0.202*HCHO \n + 0.640*ALD \n + 0.149*KET\n + 1.50*ONIT # 4.25E-14 @ -1000.;\n OLND + OLND = NO2 + 0.504*HCHO\n + 1.21*ALD\n + 0.285*KET\n + ONIT # 2.96E-14 @ -1000.; \n XO2 + NO3 = NO2 # 1.2E-12;\n XO2 + RCO3 = ETHP # 2.5E-12 @ -500.;\n XO2 + XO2 = # 7.13E-17 @ -2950.;\n APIP2 + APIP1 = 0.96*HOM + 0.48*ROH\n + 0.48*PINAL\n + 0.48*HO\n + 0.48*HO2\n + 0.04*ELHOM #1.00E-10;\n APIP2 + LIMP1 = 0.96*HOM + 0.48*ROH\n + 0.48*LIMAL\n + 0.48*HO\n + 0.48*HO2\n + 0.04*ELHOM #1.00E-10;\n APIP2 + ISOP = 0.96*HOM + 0.48*ROH\n + 0.48*HCHO\n + 0.48*MVK\n + 0.48*HO\n + 0.48*HO2\n + 0.04*ELHOM #1.00E-10;\n LIMP2 + APIP1 = 0.96*HOM + 0.48*ROH\n + 0.48*PINAL\n + 0.48*HO\n + 0.48*HO2\n + 0.04*ELHOM #1.00E-10;\n LIMP2 + LIMP1 = 0.96*HOM + 0.48*ROH\n + 0.48*LIMAL\n + 0.48*HO\n + 0.48*HO2\n + 0.04*ELHOM #1.00E-10;\n LIMP2 + ISOP = 0.96*HOM + 0.48*ROH\n + 0.48*HCHO\n + 0.48*MVK\n + 0.48*HO\n + 0.48*HO2\n + 0.04*ELHOM #1.00E-10;\n APINP2 + APIP1 = 0.96*HOM + 0.48*ROH\n + 0.48*PINAL\n + 0.48*NO2\n + 0.48*HO2\n + 0.04*ELHOM #1.00E-10;\n APINP2 + LIMP1 = 0.96*HOM + 0.48*ROH\n + 0.48*LIMAL\n + 0.48*NO2\n + 0.48*HO2\n + 0.04*ELHOM #1.00E-10;\n APINP2 + ISOP = 0.96*HOM + 0.48*ROH\n + 0.48*HCHO\n + 0.48*MVK\n + 0.48*NO2\n + 0.48*HO2\n + 0.04*ELHOM #1.00E-10;\n LIMNP2 + APIP1 = 0.96*HOM + 0.48*ROH\n + 0.48*PINAL\n + 0.48*NO2\n + 0.48*HO2\n + 0.04*ELHOM #1.00E-10;\n LIMNP2 + LIMP1 = 0.96*HOM + 0.48*ROH\n + 0.48*LIMAL\n + 0.48*NO2\n + 0.48*HO2\n + 0.04*ELHOM #1.00E-10;\n LIMNP2 + ISOP = 0.96*HOM + 0.48*ROH\n + 0.48*HCHO\n + 0.48*MVK\n + 0.48*NO2\n + 0.48*HO2\n + 0.04*ELHOM #1.00E-10;\n\n\n!\n! SOA related reactions \n IEPOX + HO = HO # 5.78E-11@400; \n\n! VROCIOXY added with behavior like ETHP\n! 12.0% by mass (14.8% by mole) SOA yield added\n! kOH set to emission weighted value\n VROCIOXY + HO = 0.852*ETHP\n + 0.149*ASOATJ # 6.89E-12;\n! assume SLOWROC, which has effectively 2.1C, makes ethane-like RO2 with SLOWROC emission weighted kOH\n SLOWROC + HO = ETHP + 0.00101*ASOATJ # 6.55E-14;\n\n! HAP chemistry\n! ELD uncommented ACRO photolysis 11/18/21, kept photolysis rate constant that was already here\n< T17> ACRO + HO = 0.57*MACP + 0.43*MCP \n -1.0*XC # 8.E-12@-380;\n< T18> ACRO + O3 = .84*CO + .56*HO2 \n + .28*HO \n + .72*HCHO \n + .62*GLY \n + 0.2*XC # 2.9E-19;\n< T19> ACRO + NO3 = .68*HCHO + .32*MACP \n + .68*XO2 \n + .68*MGLY \n + .32*HNO3 \n + .68*NO2 \n - 0.32*XC # 3.4E-15;\n! 0.219*CH4 product removed from ACRO due to fixed CH4 conc\n< T20> ACRO = CO + .477*HO2 \n + .25*ETE \n + .246*CO2 \n + .204*ACO3 \n + .204*HO \n + .15*HCHO \n + .15*ACO3 \n + .177*XC \n + .027*MO2 # 1.0/;\n! BDE13 from SAPRC18/mechgen with MCM rate constant for T10\n< T10> BDE13 + HO = 0.667*BDE13P + 0.333*UALD \n + 0.333*HO2 \n - 0.333*XC # 1.48E-11@-448.;\n< T10a> BDE13P + NO = 0.968*HO2 + .968*NO2 \n + .895*ACRO \n + .895*HCHO \n + .072*FURAN \n + .032*ONIT \n - 0.0975*XC # 9.05E-12;\n< T10b> BDE13P + NO3 = 1.0*HO2 + 1.*NO2 \n + .925*ACRO \n + .925*HCHO \n + .075*FURAN \n - .075*XC #2.3E-12;\n< T10c> BDE13P + HO2 = 1.0*OP2 - 2.*XC # 1.61E-11;\n< T10d> BDE13P + MO2 = 0.32*MOH + 0.68*HCHO \n + 0.87*HO2 \n + .463*ACRO \n + .463*HCHO \n + .25*OLT\n + .231*MVK\n + .037*FURAN \n + .019*UALD \n - 0.056*XC # 2.39E-12;\n< T10e> BDE13P + ACO3 = 0.7*MO2 + 0.3*ORA2\n + 0.8*HO2 \n + .74*ACRO \n + .74*HCHO \n + .185*MVK \n + .06*FURAN \n + .015*UALD\n - 0.075*XC # 1.37E-11;\n< T11> BDE13 + O3 = .62*ACRO + .63*CO \n + .42*HO2 \n + .08*HO\n + .83*HCHO \n + .17*ETE \n + 3.66*XC # 1.34E-14@2283.;\n< T12> BDE13 + NO3 = 0.900*OLNN \n + 0.100*OLND \n + 0.900*ACRO # 1E-13;\n\n! Furans based on 5 species aggregate using Wang et al. JGR 2021, Schwantes, and Coggon\n! Use RACM2 o-xylene RO2+HO2, RACM2 (same as MCM) RO2+NO rate constants\n! SOA yield taken from Table S1 of Bruns et al. 2016 Sci Rep and mass removed from KET product\n FURAN + HO = 0.49*DCB1 + 0.49*HO2\n + 0.51*FURANO2 # 5.01E-11;\n FURANO2 + NO = 0.08*ONIT + 0.92*NO2\n + 0.92*FURANONE\n + 0.75*HO2\n + 0.17*MO2 # 2.7E-12 @ -360.;\n FURANO2 + HO2 = 0.6*OP2 + 0.4*FURANONE\n + 0.4*HO\n + 0.32*HO2\n + 0.08*MO2 # 3.75E-13 @ -980.;\n FURANONE + HO = 0.65*KET + 0.31*GLY\n + 0.66*HO2\n + 0.34*MO2\n + 0.43*CO\n + 0.04*ASOATJ # 4.40E-11;\n FURAN + O3 = 0.02*HO + ALD # 3.43E-17;\n FURAN + NO3 = NO2 + 0.8*DCB1\n + 0.2*DCB3 # 8.99E-12;\n\n\n! PROG based on Coggon et al. and MCM http://mcm.york.ac.uk/browse.htt?species=PROPGLY\n PROG + HO = 0.613*HKET + 0.387*ALD + HO2 #1.20E-11;\n\n! Sesquiterpenes based on MCM b-caryophyllene with autoxidation\n! added to O3 channel following Richters et al. 2016 ES&T\n SESQ + NO3 = SESQNRO2 # 1.9E-11;\n SESQNRO2 + HO2 = VROCP0OXY4 # 2.84E-13 @ -1300.0;\n SESQNRO2 + NO = VROCP3OXY2 + 2.0*NO2 # 2.70E-12 @ -360.0;\n SESQNRO2 + NO3 = VROCP3OXY2 + 2.0*NO2 # 2.3E-12;\n SESQ + O3 = 0.982*VROCP3OXY2 \n + 0.018*VROCN2OXY2 # 1.2E-14;\n SESQ + HO = SESQRO2 # 1.97E-10;\n SESQRO2 + HO2 = VROCP0OXY2 # 2.84E-13 @ -1300.0;\n SESQRO2 + NO3 = VROCP3OXY2 # 2.3E-12;\n SESQRO2 + NO = 0.247*VROCP1OXY3 \n + 0.753*VROCP3OXY2\n + 0.753*NO2 # 2.70E-12 @ -360.0;\n\n! GLY and MGLY uptake\n GLY = AGLYJ # 1.0~;\n MGLY = AGLYJ # 1.0~;\n\n! heteorogeneous reactions from hetchem and poaaging routines version 5.0.2\n\n N2O5 = 2.0*HNO3 # 1.0~;\n\n NO2 = 0.5*HONO + 0.5*HNO3 # 1.0~;\n\n! Simplified ozone loss from oceanic halogens excluding chlorine\n\n O3 = %H # 6.7006E-11@-10.7435 & 3.4153E-08@0.6713\n & 2.0E-6;\n IEPOX = IEPOXP # 1.0~;\n IEPOXP = AISO3NOSJ # 1.0~;\n IEPOXP + ASO4J = AISO3OSJ # 1.0~;\n\n\n! IEPOX = AISO3J # 1.0~;\n\n! ROCALK chemistry based on GECKO (Lannuque et al. 2018 ACP) \n! with autoxidation from Praske et al. 2018 PNAS\n! HO not regenerated due to actual radical chemistry\n VROCP6ALK + HO = 1.0000 * VROCP6ALKP # 1.53e-11;\n VROCP5ALK + HO = 1.0000 * VROCP5ALKP # 1.68e-11;\n VROCP4ALK + HO = 1.0000 * VROCP4ALKP # 2.24e-11;\n VROCP3ALK + HO = 1.0000 * VROCP3ALKP # 2.67e-11;\n VROCP2ALK + HO = 1.0000 * VROCP2ALKP # 3.09e-11;\n VROCP1ALK + HO = 1.0000 * VROCP1ALKP # 3.38e-11;\n HC10 + HO = 1.0000 * HC10P # 1.10e-11;\n\n! RO+NO updated to MCM values to include T dep\n VROCP6ALKP + NO = 0.7200 * VROCP6ALKP2\n + 0.2800 * VROCP4OXY2\n + 0.7200 * NO2 # 2.7e-12 @ -360.;\n VROCP5ALKP + NO = 0.7200 * VROCP5ALKP2 \n + 0.2800 * VROCP3OXY2\n + 0.7200 * NO2 # 2.7e-12 @ -360.;\n VROCP4ALKP + NO = 0.7200 * VROCP4ALKP2 \n + 0.2800 * VROCP2OXY2\n + 0.7200 * NO2 # 2.7e-12 @ -360.;\n VROCP3ALKP + NO = 0.7200 * VROCP3ALKP2 \n + 0.2800 * VROCP1OXY1\n + 0.7200 * NO2 # 2.7e-12 @ -360.;\n VROCP2ALKP + NO = 0.7200 * VROCP2ALKP2 \n + 0.2800 * VROCP0OXY2\n + 0.7200 * NO2 # 2.7e-12 @ -360.;\n VROCP1ALKP + NO = 0.7200 * VROCP1ALKP2 \n + 0.2800 * VROCN1OXY1\n + 0.7200 * NO2 # 2.7e-12 @ -360.;\n HC10P + NO = 0.7400 * HC10P2 \n + 0.2600 * ONIT\n + 0.7400 * NO2 # 2.7E-12 @ -360.;\n\n VROCP6ALKP + NO3 = 1.0000 * VROCP6ALKP2 \n + 1.0000 * NO2 # 2.30e-12;\n VROCP5ALKP + NO3 = 1.0000 * VROCP5ALKP2 \n + 1.0000 * NO2 # 2.30e-12;\n VROCP4ALKP + NO3 = 1.0000 * VROCP4ALKP2 \n + 1.0000 * NO2 # 2.30e-12;\n VROCP3ALKP + NO3 = 1.0000 * VROCP3ALKP2 \n + 1.0000 * NO2 # 2.30e-12;\n VROCP2ALKP + NO3 = 1.0000 * VROCP2ALKP2 \n + 1.0000 * NO2 # 2.30e-12;\n VROCP1ALKP + NO3 = 1.0000 * VROCP1ALKP2 \n + 1.0000 * NO2 # 2.30e-12;\n HC10P + NO3 = 1.0000 * HC10P2 \n + 1.0000 * NO2 # 2.30e-12;\n\n VROCP6ALKP + HO2 = 1.0000 * VROCP3OXY2 # 2.17e-11;\n VROCP5ALKP + HO2 = 1.0000 * VROCP2OXY2 # 2.20e-11;\n VROCP4ALKP + HO2 = 1.0000 * VROCP1OXY1 # 2.25e-11;\n VROCP3ALKP + HO2 = 1.0000 * VROCP0OXY2 # 2.26e-11;\n VROCP2ALKP + HO2 = 1.0000 * VROCN1OXY1 # 2.27e-11;\n VROCP1ALKP + HO2 = 1.0000 * VROCN2OXY2 # 2.27e-11;\n HC10P + HO2 = 1.0000 * OP2 # 2.66e-13 @ -1300.;\n\n VROCP6ALKP2 = 1.0000 * HO2\n + 1.0000 * VROCP3OXY2 # 1.88e-1;\n VROCP5ALKP2 = 1.0000 * HO2\n + 1.0000 * VROCP2OXY2 # 1.88e-1;\n VROCP4ALKP2 = 1.0000 * HO2\n + 1.0000 * VROCP1OXY1 # 1.88e-1;\n VROCP3ALKP2 = 1.0000 * HO2\n + 1.0000 * VROCP0OXY2 # 1.88e-1;\n VROCP2ALKP2 = 1.0000 * HO2\n + 1.0000 * VROCN1OXY1 # 1.88e-1;\n VROCP1ALKP2 = 1.0000 * HO2\n + 1.0000 * VROCN2OXY2 # 1.88e-1;\n HC10P2 = 1.0000 * HO2\n + 1.0000 * VROCP4OXY2 # 1.88e-1;\n\n! RO2+NO,NO3 products updated to assume alkoxy radical proceeds\n! entirely through ketone channel (same as MCM)\n VROCP6ALKP2 + NO = 0.1400 * VROCP2OXY2 \n + 0.8600 * NO2\n + 0.8600 * VROCP3OXY2 \n + 0.8600 * HO2 # 2.7E-12 @ -360.;\n VROCP5ALKP2 + NO = 0.1400 * VROCP1OXY3 \n + 0.8600 * NO2\n + 0.8600 * VROCP2OXY2 \n + 0.8600 * HO2 # 2.7E-12 @ -360.;\n VROCP4ALKP2 + NO = 0.1400 * VROCP0OXY2 \n + 0.8600 * NO2\n + 0.8600 * VROCP1OXY1\n + 0.8600 * HO2 # 2.7E-12 @ -360.;\n VROCP3ALKP2 + NO = 0.1400 * VROCN1OXY1 \n + 0.8600 * NO2\n + 0.8600 * VROCP0OXY2 \n + 0.8600 * HO2 # 2.7E-12 @ -360.;\n VROCP2ALKP2 + NO = 0.1400 * VROCN2OXY2 \n + 0.8600 * NO2\n + 0.8600 * VROCN1OXY1 \n + 0.8600 * HO2 # 2.7E-12 @ -360.;\n VROCP1ALKP2 + NO = 0.1400 * VROCN2OXY2 \n + 0.8600 * NO2\n + 0.8600 * VROCN2OXY2 \n + 0.8600 * HO2 # 2.7E-12 @ -360.;\n HC10P2 + NO = 0.1200 * ONIT \n + 0.8800 * NO2\n + 0.8800 * KET \n + 0.8800 * HO2 # 2.7E-12 @ -360.;\n\n VROCP6ALKP2 + NO3 = 1.0000 * NO2\n + 1.0000 * VROCP3OXY2 \n + 1.0000 * HO2 # 2.30e-12;\n VROCP5ALKP2 + NO3 = 1.0000 * NO2\n + 1.0000 * VROCP2OXY2 \n + 1.0000 * HO2 # 2.30e-12;\n VROCP4ALKP2 + NO3 = 1.0000 * NO2\n + 1.0000 * VROCP1OXY1 \n + 1.0000 * HO2 # 2.30e-12;\n VROCP3ALKP2 + NO3 = 1.0000 * NO2\n + 1.0000 * VROCP0OXY2 \n + 1.0000 * HO2 # 2.30e-12;\n VROCP2ALKP2 + NO3 = 1.0000 * NO2\n + 1.0000 * VROCN1OXY1 \n + 1.0000 * HO2 # 2.30e-12;\n VROCP1ALKP2 + NO3 = 1.0000 * NO2\n + 1.0000 * VROCN2OXY2 \n + 1.0000 * HO2 # 2.30e-12;\n HC10P2 + NO3 = 1.0000 * NO2\n + 1.0000 * KET \n + 1.0000 * HO2 # 2.30e-12;\n\n VROCP6ALKP2 + HO2 = 1.0000 * VROCP1OXY3 # 2.17e-11;\n VROCP5ALKP2 + HO2 = 1.0000 * VROCP0OXY2 # 2.20e-11;\n VROCP4ALKP2 + HO2 = 1.0000 * VROCN1OXY1 # 2.25e-11;\n VROCP3ALKP2 + HO2 = 1.0000 * VROCN2OXY2 # 2.26e-11;\n VROCP2ALKP2 + HO2 = 1.0000 * VROCN2OXY2 # 2.27e-11;\n VROCP1ALKP2 + HO2 = 1.0000 * VROCN2OXY2 # 2.27e-11;\n HC10P2 + HO2 = 1.0000 * VROCP2OXY2 # 2.66e-13 @ -1300.;\n\n! IVOC aromatic oxidation following MCM with autoxidation\n! added to bicyclic RO2 channel. Epoxide channel eliminated\n! and nitrate yield reduced following Xu et al. JPCA 2020.\n! RO2+RO2 rates from RACM2 aromatic RO2s\n! ROCP6ARO\n VROCP6ARO + HO = 0.8400*VROCP6AROP\n + 0.1600*HO2\n + 0.1600*VROCP4OXY2 # 1.81E-11;\n VROCP6AROP + HO2 = 0.0595*VROCP4OXY2\n + 0.9048*VROCP1OXY3\n + 0.0357*VROCN2OXY4 # 2.91E-13 @ -1300.;\n VROCP6AROP + NO = 0.0001*VROCP4OXY2\n + 0.0018*VROCP2OXY2\n + 0.0001*VROCN1OXY3\n + 0.9980*NO2\n + 0.9980*HO2\n + 0.0594*BALD\n + 0.4693*GLY\n + 0.4693*MGLY\n + 0.4693*FURANONE\n + 0.4693*DCB2 # 2.7E-12 @ -360.;\n VROCP6AROP + NO3 = 1.0000*NO2\n + 0.9405*HO2\n + 0.0595*BALD\n + 0.4702*GLY\n + 0.4702*MGLY\n + 0.4702*FURANONE\n + 0.4702*DCB2 # 2.3E-12;\n VROCP6AROP + MO2 = 0.6800*HCHO\n + 1.3105*HO2\n + 0.3200*MOH\n + 0.0595*BALD\n + 0.4702*GLY\n + 0.4702*MGLY\n + 0.4702*FURANONE\n + 0.4702*DCB2 # 3.56E-14 @ -708.;\n VROCP6AROP + ACO3 = 0.7000*MO2\n + 0.9405*HO2\n + 0.3000*ORA2\n + 0.0595*BALD\n + 0.4702*GLY\n + 0.4702*MGLY\n + 0.4702*FURANONE\n + 0.4702*DCB2 # 7.4E-13 @ -765.;\n! ROCP5ARO\n VROCP5ARO + HO = 0.8400*VROCP5AROP\n + 0.1600*HO2\n + 0.1600*VROCP3OXY2 # 1.81E-11;\n VROCP5AROP + HO2 = 0.0595*VROCP3OXY2\n + 0.9048*VROCP0OXY2\n + 0.0357*VROCN2OXY4 # 2.91E-13 @ -1300.;\n VROCP5AROP + NO = 0.0001*VROCP3OXY2\n + 0.0018*VROCP1OXY3\n + 0.0001*VROCN2OXY4\n + 0.9980*NO2\n + 0.9980*HO2\n + 0.0594*VROCP4OXY2\n + 0.4693*GLY\n + 0.4693*MGLY\n + 0.4693*FURANONE\n + 0.4693*DCB2 # 2.7E-12 @ -360.;\n VROCP5AROP + NO3 = 1.0000*NO2\n + 0.9405*HO2\n + 0.0595*VROCP4OXY2\n + 0.4702*GLY\n + 0.4702*MGLY\n + 0.4702*FURANONE\n + 0.4702*DCB2 # 2.3E-12;\n VROCP5AROP + MO2 = 0.6800*HCHO\n + 1.3105*HO2\n + 0.3200*MOH\n + 0.0595*VROCP4OXY2\n + 0.4702*GLY\n + 0.4702*MGLY\n + 0.4702*FURANONE\n + 0.4702*DCB2 # 3.56E-14 @ -708.;\n VROCP5AROP + ACO3 = 0.7000*MO2\n + 0.9405*HO2\n + 0.3000*ORA2\n + 0.0595*VROCP4OXY2\n + 0.4702*GLY\n + 0.4702*MGLY\n + 0.4702*FURANONE\n + 0.4702*DCB2 # 7.4E-13 @ -765.;\n\n! NAPH\n NAPH + HO = 0.8400*NAPHP\n + 0.1600*HO2\n + 0.1600*VROCP3OXY2 # 2.31E-11;\n NAPHP + HO2 = 0.0595*VROCP3OXY2\n + 0.9048*VROCP1OXY3\n + 0.0357*VROCN2OXY8 # 2.91E-13 @ -1300.;\n NAPHP + NO = 0.0001*VROCP4OXY2\n + 0.0018*VROCP2OXY2\n + 0.0001*VROCN2OXY8\n + 0.9980*NO2\n + 0.9980*HO2\n + 0.0594*VROCP4OXY2\n + 0.4693*GLY\n + 0.4693*MGLY\n + 0.4693*FURANONE\n + 0.4693*DCB2 # 2.7E-12 @ -360.;\n NAPHP + NO3 = 1.0000*NO2\n + 0.9405*HO2\n + 0.0595*VROCP4OXY2\n + 0.4702*GLY\n + 0.4702*MGLY\n + 0.4702*FURANONE\n + 0.4702*DCB2 # 2.3E-12;\n NAPHP + MO2 = 0.6800*HCHO\n + 1.3105*HO2\n + 0.3200*MOH\n + 0.0595*VROCP4OXY2\n + 0.4702*GLY\n + 0.4702*MGLY\n + 0.4702*FURANONE\n + 0.4702*DCB2 # 3.56E-14 @ -708.;\n NAPHP + ACO3 = 0.7000*MO2\n + 0.9405*HO2\n + 0.3000*ORA2\n + 0.0595*VROCP4OXY2\n + 0.4702*GLY\n + 0.4702*MGLY\n + 0.4702*FURANONE\n + 0.4702*DCB2 # 7.4E-13 @ -765.;\n\n! Multigenerational oxidation of LVOCs and SVOCs\n! Aging of ROCOXY with explicit low MW species\n VROCN2OXY8 + HO = HO \n + 0.0854 * VROCN2OXY8 + 0.2581 * DCB1\n + 0.2581 * MEK + 0.2581 * ACD\n + 0.2581 * ALD + 0.2581 * MO2\n + 0.2581 * ETHP + 0.2581 * HC3P\n + 0.2581 * MEKP # 5.90e-11;\n VROCN2OXY4 + HO = HO \n + 0.4640 * VROCN2OXY8 + 0.1977 * VROCN2OXY4\n + 0.0121 * VROCN1OXY6 + 0.0152 * VROCN1OXY3\n + 0.0624 * VROCP0OXY4 + 0.0388 * VROCP1OXY3\n + 0.0491 * VROCP2OXY2 + 0.0398 * VROCP3OXY2\n + 0.0183 * VROCP4OXY2 + 0.0308 * OP3\n + 0.0040 * OP2 + 0.0794 * DCB1\n + 0.0794 * MEK + 0.0794 * KET\n + 0.0794 * ACD + 0.0794 * ALD\n + 0.0794 * MO2 + 0.0794 * ETHP\n + 0.0794 * HC3P + 0.0794 * MEKP\n + 0.0794 * HC5P + 0.0794 * KETP # 6.07e-11;\n VROCN2OXY2 + HO = HO \n + 0.1041 * VROCN2OXY8 + 0.5638 * VROCN2OXY4\n + 0.2141 * VROCN2OXY2 + 0.0153 * VROCN1OXY6\n + 0.0298 * VROCN1OXY3 + 0.0096 * VROCN1OXY1\n + 0.0189 * VROCP0OXY4 + 0.0456 * VROCP0OXY2\n + 0.0314 * VROCP1OXY3 + 0.0199 * VROCP1OXY1\n + 0.0459 * VROCP2OXY2 + 0.0452 * VROCP3OXY2\n + 0.0455 * VROCP4OXY2 + 0.0325 * VROCP5OXY1\n + 0.0369 * VROCP6OXY1 + 0.0026 * OP3\n + 0.0390 * DCB1 + 0.0390 * HKET\n + 0.0390 * MEK + 0.0390 * ACD\n + 0.0390 * ALD + 0.0390 * MO2\n + 0.0390 * ETHP + 0.0390 * HC3P\n + 0.0390 * MEKP + 0.0925 * HC5P # 5.54e-11;\n VROCN1OXY6 + HO = HO \n + 0.2036 * VROCN2OXY8 + 0.0071 * VROCN2OXY4\n + 0.1840 * DCB1 + 0.1840 * MEK\n + 0.1840 * KET + 0.1840 * ACD\n + 0.1840 * ALD + 0.1840 * MO2\n + 0.1840 * ETHP + 0.1840 * HC3P\n + 0.1840 * MEKP + 0.1840 * HC5P # 5.63e-11;\n VROCN1OXY3 + HO = HO \n + 0.2792 * VROCN2OXY8 + 0.4025 * VROCN2OXY4\n + 0.0088 * VROCN2OXY2 + 0.0319 * VROCN1OXY6\n + 0.0076 * VROCN1OXY3 + 0.0194 * VROCP0OXY4\n + 0.0104 * VROCP0OXY2 + 0.0510 * VROCP1OXY3\n + 0.0075 * VROCP1OXY1 + 0.0512 * VROCP2OXY2\n + 0.0462 * VROCP3OXY2 + 0.0512 * VROCP4OXY2\n + 0.0138 * VROCP5OXY1 + 0.0135 * OP2\n + 0.0646 * DCB1 + 0.0646 * HKET\n + 0.0646 * MEK + 0.0646 * ACD\n + 0.0646 * ALD + 0.0646 * MO2\n + 0.0646 * ETHP + 0.0646 * HC3P\n + 0.0646 * MEKP + 0.1753 * HC5P # 5.46e-11;\n VROCN1OXY1 + HO = HO \n + 0.0074 * VROCN2OXY8 + 0.1190 * VROCN2OXY4\n + 0.7261 * VROCN2OXY2 + 0.0122 * VROCN1OXY6\n + 0.0305 * VROCN1OXY3 + 0.0070 * VROCN1OXY1\n + 0.0291 * VROCP0OXY4 + 0.0454 * VROCP0OXY2\n + 0.0234 * VROCP1OXY3 + 0.0352 * VROCP1OXY1\n + 0.0624 * VROCP2OXY2 + 0.0518 * VROCP3OXY2\n + 0.0509 * VROCP4OXY2 + 0.0347 * VROCP5OXY1\n + 0.0748 * VROCP6OXY1 + 0.0163 * OP3\n + 0.0062 * OP2 + 0.0244 * DCB1\n + 0.0244 * HKET + 0.0244 * MEK\n + 0.0244 * ACD + 0.0244 * ALD\n + 0.0244 * MO2 + 0.0244 * ETHP\n + 0.0244 * HC3P + 0.0244 * MEKP\n + 0.0537 * HC5P # 4.50e-11;\n VROCP0OXY4 + HO = HO \n + 0.2822 * VROCN2OXY8 + 0.1165 * VROCN2OXY4\n + 0.0320 * VROCN1OXY6 + 0.0183 * VROCN1OXY3\n + 0.0011 * VROCP0OXY4 + 0.0660 * VROCP2OXY2\n + 0.0535 * VROCP3OXY2 + 0.0246 * VROCP4OXY2\n + 0.0054 * OP2 + 0.1068 * DCB1\n + 0.1068 * MEK + 0.1068 * KET\n + 0.1068 * ACD + 0.1068 * ALD\n + 0.1068 * MO2 + 0.1068 * ETHP\n + 0.1068 * HC3P + 0.1068 * MEKP\n + 0.1068 * HC5P + 0.1068 * KETP # 5.17e-11;\n VROCP0OXY2 + HO = HO \n + 0.0659 * VROCN2OXY8 + 0.4579 * VROCN2OXY4\n + 0.1156 * VROCN2OXY2 + 0.0325 * VROCN1OXY6\n + 0.0657 * VROCN1OXY3 + 0.0046 * VROCN1OXY1\n + 0.0307 * VROCP0OXY4 + 0.0024 * VROCP0OXY2\n + 0.0395 * VROCP1OXY3 + 0.0215 * VROCP1OXY1\n + 0.0539 * VROCP2OXY2 + 0.0516 * VROCP3OXY2\n + 0.0519 * VROCP4OXY2 + 0.0371 * VROCP5OXY1\n + 0.0421 * VROCP6OXY1 + 0.0105 * OP3\n + 0.0445 * DCB1 + 0.0445 * HKET\n + 0.0445 * MEK + 0.0445 * ACD\n + 0.0445 * ALD + 0.0445 * MO2\n + 0.0445 * ETHP + 0.0445 * HC3P\n + 0.0445 * MEKP + 0.1055 * HC5P # 4.73e-11;\n VROCP1OXY3 + HO = HO \n + 0.1778 * VROCN2OXY8 + 0.1924 * VROCN2OXY4\n + 0.0004 * VROCN2OXY2 + 0.0740 * VROCN1OXY6\n + 0.0452 * VROCN1OXY3 + 0.0631 * VROCP0OXY4\n + 0.0007 * VROCP0OXY2 + 0.0006 * VROCP1OXY3\n + 0.0227 * VROCP2OXY2 + 0.0585 * VROCP3OXY2\n + 0.0649 * VROCP4OXY2 + 0.0174 * VROCP5OXY1\n + 0.0154 * OP3 + 0.0170 * OP2\n + 0.0818 * DCB1 + 0.0818 * HKET\n + 0.0818 * MEK + 0.0818 * ACD\n + 0.0818 * ALD + 0.0818 * MO2\n + 0.0818 * ETHP + 0.0818 * HC3P\n + 0.0818 * MEKP + 0.2220 * HC5P # 4.60e-11;\n VROCP1OXY1 + HO = HO \n + 0.0023 * VROCN2OXY8 + 0.1340 * VROCN2OXY4\n + 0.3349 * VROCN2OXY2 + 0.0080 * VROCN1OXY6\n + 0.1193 * VROCN1OXY3 + 0.0758 * VROCN1OXY1\n + 0.0292 * VROCP0OXY4 + 0.0766 * VROCP0OXY2\n + 0.0277 * VROCP1OXY3 + 0.0118 * VROCP1OXY1\n + 0.0651 * VROCP2OXY2 + 0.0709 * VROCP3OXY2\n + 0.0668 * VROCP4OXY2 + 0.0423 * VROCP5OXY1\n + 0.0911 * VROCP6OXY1 + 0.0066 * OP3\n + 0.0025 * OP2 + 0.0297 * DCB1\n + 0.0297 * HKET + 0.0297 * MEK\n + 0.0297 * ACD + 0.0297 * ALD\n + 0.0297 * MO2 + 0.0297 * ETHP\n + 0.0297 * HC3P + 0.0297 * MEKP\n + 0.0654 * HC5P # 3.80e-11;\n VROCP2OXY2 + HO = HO \n + 0.0445 * VROCN2OXY8 + 0.1726 * VROCN2OXY4\n + 0.0104 * VROCN2OXY2 + 0.0513 * VROCN1OXY6\n + 0.1118 * VROCN1OXY3 + 0.0013 * VROCN1OXY1\n + 0.1337 * VROCP0OXY4 + 0.0403 * VROCP0OXY2\n + 0.0511 * VROCP1OXY3 + 0.0068 * VROCP1OXY1\n + 0.0236 * VROCP2OXY2 + 0.0293 * VROCP3OXY2\n + 0.0733 * VROCP4OXY2 + 0.0523 * VROCP5OXY1\n + 0.0595 * VROCP6OXY1 + 0.0041 * OP3\n + 0.0023 * OP2 + 0.0628 * DCB1\n + 0.0628 * HKET + 0.0628 * MEK\n + 0.0628 * ACD + 0.0628 * ALD\n + 0.0628 * MO2 + 0.0628 * ETHP\n + 0.0628 * HC3P + 0.0628 * MEKP\n + 0.1489 * HC5P # 3.93e-11;\n VROCP3OXY2 + HO = HO \n + 0.0317 * VROCN2OXY8 + 0.0765 * VROCN2OXY4\n + 0.0009 * VROCN2OXY2 + 0.0526 * VROCN1OXY6\n + 0.0489 * VROCN1OXY3 + 0.1550 * VROCP0OXY4\n + 0.0155 * VROCP0OXY2 + 0.1051 * VROCP1OXY3\n + 0.0013 * VROCP1OXY1 + 0.0535 * VROCP2OXY2\n + 0.0086 * VROCP3OXY2 + 0.0426 * VROCP4OXY2\n + 0.0582 * VROCP5OXY1 + 0.0661 * VROCP6OXY1\n + 0.0506 * OP3 + 0.0114 * OP2\n + 0.0698 * DCB1 + 0.0698 * HKET\n + 0.0698 * MEK + 0.0698 * ACD\n + 0.0698 * ALD + 0.0698 * MO2\n + 0.0698 * ETHP + 0.0698 * HC3P\n + 0.0698 * MEKP + 0.1656 * HC5P # 3.52e-11;\n VROCP4OXY2 + HO = HO \n + 0.0117 * VROCN2OXY8 + 0.0167 * VROCN2OXY4\n + 0.0480 * VROCN1OXY6 + 0.0246 * VROCN1OXY3\n + 0.0881 * VROCP0OXY4 + 0.0916 * VROCP1OXY3\n + 0.0073 * VROCP1OXY1 + 0.0972 * VROCP2OXY2\n + 0.0456 * VROCP3OXY2 + 0.0024 * VROCP4OXY2\n + 0.0479 * VROCP5OXY1 + 0.0745 * VROCP6OXY1\n + 0.0607 * OP3 + 0.0155 * OP2\n + 0.0786 * DCB1 + 0.0786 * HKET\n + 0.0786 * MEK + 0.0786 * ACD\n + 0.0786 * ALD + 0.0786 * MO2\n + 0.0786 * ETHP + 0.0786 * HC3P\n + 0.0786 * MEKP + 0.1730 * HC5P # 3.12e-11;\n VROCP5OXY1 + HO = HO \n + 0.0103 * VROCN2OXY4 + 0.0006 * VROCN2OXY2\n + 0.0090 * VROCN1OXY6 + 0.0146 * VROCN1OXY3\n + 0.0702 * VROCP0OXY4 + 0.0153 * VROCP0OXY2\n + 0.1038 * VROCP1OXY3 + 0.0031 * VROCP1OXY1\n + 0.1650 * VROCP2OXY2 + 0.1566 * VROCP3OXY2\n + 0.0724 * VROCP4OXY2 + 0.0062 * VROCP5OXY1\n + 0.1398 * VROCP6OXY1 + 0.0216 * OP3\n + 0.0384 * OP2 + 0.0526 * DCB1\n + 0.0526 * HKET + 0.0526 * MEK\n + 0.0526 * ACD + 0.0526 * ALD\n + 0.0526 * MO2 + 0.0526 * ETHP\n + 0.0526 * HC3P + 0.0526 * MEKP\n + 0.1280 * HC5P # 2.40e-11;\n VROCP6OXY1 + HO = HO \n + 0.0061 * VROCN1OXY6 + 0.0049 * VROCN1OXY3\n + 0.0224 * VROCP0OXY4 + 0.0503 * VROCP1OXY3\n + 0.0022 * VROCP1OXY1 + 0.0879 * VROCP2OXY2\n + 0.1384 * VROCP3OXY2 + 0.1463 * VROCP4OXY2\n + 0.0432 * VROCP5OXY1 + 0.0957 * VROCP6OXY1\n + 0.0316 * OP3 + 0.0585 * OP2\n + 0.0571 * DCB1 + 0.0571 * HKET\n + 0.0571 * MEK + 0.0571 * ACD\n + 0.0571 * ALD + 0.0571 * MO2\n + 0.0571 * ETHP + 0.0571 * HC3P\n + 0.0571 * MEKP + 0.1544 * HC5P # 2.05e-11;\n OP3 + HO = HO \n + 0.1188 * VROCN2OXY8 + 0.0008 * VROCN2OXY4\n + 0.0390 * VROCN1OXY6 + 0.0114 * VROCP0OXY4\n + 0.2266 * DCB1 + 0.2266 * MEK\n + 0.2266 * ACD + 0.2266 * ALD\n + 0.2266 * MO2 + 0.2266 * ETHP\n + 0.2266 * HC3P + 0.2266 * MEKP # 4.69e-11;\n\nEND MECH\n\nCONSTANTS\n ATM_AIR = 1.0E+06\n ATM_H2 = 0.56\n ATM_N2 = 0.7808E+06\n ATM_O2 = 0.2095E+06\n ATM_CH4 = 1.85\nEND CONSTANTS\n\n\n\n" }, { "path": "CCTM/src/MECHS/cracmm1_aq/pa_cracmm1_aq.ctl", "content": "! for cracmm1_aq\n!\nIRRTYPE = PARTIAL;\nDEFINE FAMILY NOX = NO + NO2;\nDEFINE FAMILY ORG_NO3 = ADCN + ISON + OLND+ OLNN + ONIT + TRPN + NALD;\nDEFINE FAMILY PANS = PAN +PPN +MPAN;\nDEFINE FAMILY NOZ = PAN + PPN + MPAN + HONO + HNO4 + 2*N2O5 + ADCN\n+ ISON + SESQNRO2\n+ OLND+ OLNN + ONIT + TRPN + HNO3;\nDEFINE FAMILY OX = O3 +NO2 +2*NO3 + O3P + O1D +PAN +3*N2O5 + HNO4 +PPN \n+ MPAN;\nDEFINE FAMILY HOX = HO + HO2;\nDEFINE FAMILY RO3S = ACO3 + RCO3;\nDEFINE FAMILY RO2S = MO2 + ACTP + ISOP + KETP + LIMALP + LIMNP1 \n+ LIMNP2\n+ HC10P + HC10P2 + HC3P + HC5P + LIMP1 + LIMP2 + MACP + MCP + MEKP \n+ MVKP + NAPHP + OLTP \n+ XYEP + XYMP + XO2 + APINP1 + APINP2 + APIP1 + APIP2 + PINALP\n+ BAL1 + BAL2 + BALP + BDE13P + BENP + ETEP + ETHP + FURANO2\n+ VROCP5AROP + VROCP6AROP\n+ SESQNRO2 + SESQRO2 + UALP + OLIP + ORAP + TOLP\n+ VROCP6ALK + VROCP1ALKP + VROCP2ALKP + VROCP3ALKP\n+ VROCP4ALKP + VROCP5ALKP + VROCP6ALKP + VROCP1ALKP2\n+ VROCP2ALKP2 + VROCP3ALKP2 + VROCP4ALKP2 + VROCP5ALKP2\n+ VROCP6ALKP2;\n\nDEFINE FAMILY RO2NS = LIMNP1 + LIMNP2 + APINP1 + APINP2 + VROCP1ALKP2\n+ VROCP2ALKP2 + VROCP3ALKP2 + VROCP4ALKP2 + VROCP5ALKP2\n+ SESQNRO2 + VROCP6ALKP2 + HC10P2;\n\nDEFINE FAMILY RO2OS = MO2 + ACTP + ISOP + KETP\n+ HC10P + HC3P + HC5P + LIMP1 + LIMP2 + MACP + MCP + MEKP\n+ MVKP + NAPHP + OLTP\n+ VROCP5AROP + VROCP6AROP\n+ XYEP + XYMP + XO2 + APIP1 + APIP2 + PINALP\n+ BAL1 + BAL2 + BALP + BDE13P + BENP + ETEP + ETHP + FURANO2\n+ SESQRO2 + UALP + OLIP + ORAP + TOLP\n+ VROCP6ALK + VROCP1ALKP + VROCP2ALKP + VROCP3ALKP\n+ VROCP4ALKP + VROCP5ALKP + VROCP6ALKP;\n\nDEFINE FAMILY BIO_RO2S = ISOP + LIMALP + LIMNP1\n+ LIMNP2 + LIMP2 + PINALP + MACP \n+ MVKP + APINP1 + APINP2 + APIP1 + APIP2 \n+ SESQNRO2 + SESQRO2;\n\nDEFINE FAMILY AROM_RO2S = BENP + TOLP + XYEP + XYMP + NAPHP\n+ VROCP5AROP + VROCP6AROP;\n\nDEFINE FAMILY ANTHRO_VOC = HCHO + ACD + ACT + UALD + KET + TOL \n+ XYE \n+ HC5 + HC10 + XYM + ACRO + ALD + BALD + BEN + BDE13 + CSL + DCB1 \n+ EOH + HC3 + ETE + ETEG + ETH + FURAN + GLY + HKET + MACR + MCT \n+ MEK + NAPH + MGLY + MVK + OLI + OLT + ORA1 + ORA2 + PHEN + PROG\n+ VROCIOXY + ROH + SLOWROC;\n\nDEFINE FAMILY BIO_VOC = ISO + LIM + LIMAL + PINAL + API + SESQ;\n\nDEFINE FAMILY ISOPRENE_SOA = AISO3NOSJ + AISO3OSJ;\n\nDEFINE FAMILY ISOPRENE_VOC = ISHP + MVK + MACR + ISON + IEPOX;\n\nDEFINE FAMILY SVSOA_VAPALK = VROCP1ALK;\n\nDEFINE FAMILY HVSOA_VAPALK = VROCP2ALK + VROCP3ALK;\n\nDEFINE FAMILY LVSOA_VAPOXY = VROCN2OXY2 + VROCN2OXY4 + VROCN2OXY8 \n+ VROCN1OXY1 + VROCN1OXY3 + VROCN1OXY6;\n\nDEFINE FAMILY SVSOA_VAPOXY = VROCP0OXY2 + VROCP0OXY4 + VROCP1OXY1\n+ VROCP1OXY3;\n\nDEFINE FAMILY HVSOA_VAPOXY = VROCP2OXY2 + VROCP3OXY2 + OP3;\n\nDEFINE FAMILY VROC_OXYS = VROCN2OXY2 + VROCP4OXY2 + VROCN1OXY6 + VROCP3OXY2\n + VROCP0OXY4 + VROCIOXY + VROCP0OXY2 + VROCP1OXY3 + VROCP2OXY2 + VROCP1OXY1\n + VROCN1OXY1 + VROCN2OXY4 + VROCN1OXY3 + VROCN2OXY8 + VROCP5OXY1\n + VROCP6OXY1 + OP3;\n\nDEFINE FAMILY VROC_ALKS = VROCP6ALK + VROCP6ALKP + VROCP5ALK + VROCP5ALKP\n + VROCP4ALK + VROCP4ALKP + VROCP3ALK + VROCP3ALKP + VROCP2ALK + VROCP2ALKP\n + VROCP1ALK + VROCP1ALKP + VROCP6ALKP2 + VROCP5ALKP2 + VROCP4ALKP2\n + VROCP3ALKP2 + VROCP2ALKP2 + VROCP1ALKP2;\n!!=======================================================================\n! Reaction Sum Definitions \n!=======================================================================\n\nDEFINE CYCLE PANcyc = PAN;\nDEFINE CYCLE PPNcyc = PPN;\nDEFINE CYCLE MPANcyc = MPAN;\nDEFINE CYCLE HNO4cyc = HNO4;\n! need to work on cycles because reaction labels from cb6r5 if lobal number is two digits\n\nDEFINE RXNSUM HNO4_HO2cyc = 0.80* + - ;\nDEFINE RXNSUM HONOcyc = - - ;\nDEFINE RXNSUM NO3cyc = - ;\n! uncertain if only consider reaction involve HOX as reaction orproduct \nDEFINE RXNSUM CH3OO_cyc = - ;\nDEFINE RXNSUM C2H6OOcyc = - 0.780* - 0.790*\n- 0.650* - 0.650* - 0.680* - \n- - - \n- - - - 0.602* - 0.720*\n- 0.480* - 0.085* - 0.850* - - \n- - - - - - 0.680*\n- 0.700* - 0.680* - 0.700* - 0.680*\n- 0.620* - 0.720* - 0.048* - 0.085*\n- - - - - 0.004*\n- 0.013* - 0.006* - 0.005*\n- 0.017* - 0.003* - 0.011*\n- 0.013* - 0.038* - 0.059*;\nDEFINE RXNSUM N2O5cyc = - ;\nDEFINE RXNSUM H2O2_OHcyc = - - ;\nDEFINE RXNSUM HOXcyc = - ;\n\n\n!DEFINE CYCLE LVSOA_VAPALKcyc = LVSOA_VAPALK;\n!DEFINE CYCLE SVSOA_VAPALKcyc = SVSOA_VAPALK;\n!DEFINE CYCLE HVSOA_VAPALKcyc = HVSOA_VAPALK;\n!DEFINE CYCLE LVSOA_VAPOXYcyc = LVSOA_VAPOXY;\n!DEFINE CYCLE SVSOA_VAPOXYcyc = SVSOA_VAPOXY;\n!DEFINE CYCLE HVSOA_VAPOXYcyc = HVSOA_VAPOXY;\n!======================================================================\n! IPR_OUTPUTS\n!=======================================================================\nIPR_OUTPUT O3 = CHEM+DDEP+CLDS+AERO+TRNM;\nIPR_OUTPUT HNO3 = CHEM+DDEP+CLDS+AERO;\nIPR_OUTPUT PAN = CHEM+DDEP+CLDS+AERO+TRNM;\nIPR_OUTPUT N2O5 = CHEM+DDEP+CLDS+AERO;\nIPR_OUTPUT HCHO = CHEM+DDEP+CLDS+AERO;\nIPR_OUTPUT SVSOA_VAPALK = CHEM;\nIPR_OUTPUT HVSOA_VAPALK = CHEM;\nIPR_OUTPUT LVSOA_VAPOXY = CHEM;\nIPR_OUTPUT SVSOA_VAPOXY = CHEM;\nIPR_OUTPUT HVSOA_VAPOXY = CHEM;\n\n\nDEFINE FAMILY EC = AECI + AECJ;\nIPR_OUTPUT EC = COAG + EMIS + HADV;\nIPR_OUTPUT ASO4J = COND + COAG + EMIS + CHEM + VDIF + CLDS;\nIPR_OUTPUT ASO4I = NPF + COND + COAG + EMIS + CHEM + VDIF +CLDS;\n!IPR_OUTPUT NUMATKN;\n!IPR_OUTPUT NUMACC;\n!IPR_OUTPUT NUMCOR;\n!=======================================================================\n! IRR_OUTPUTS\n! OX prod and loss\n!\nIRR_OUTPUT O3prod = NETP[O3];\nIRR_OUTPUT OxPROD = NETP[OX];\nIRR_OUTPUT OxLOSS = NETL[OX];\nIRR_OUTPUT OxLOSSHAL = ;\n\n! factors influencing PAN and N2O5 concentrations\n!\nIRR_OUTPUT PANprod = PANcyc[POSONLY];\nIRR_OUTPUT PANloss = PANcyc[NEGONLY];\n\n! RO2 fate\nIRR_OUTPUT RO2withNOtoNO2 = PROD[NO2] FROM [RO2S] AND [NO]\n+ PROD[NO2] FROM [RO3S] AND [NO];\nIRR_OUTPUT NRO2withNOtoNO2 = PROD[NO2] FROM [RO2NS] AND [NO];\nIRR_OUTPUT RO2withNOtoNTR = PROD[ORG_NO3] FROM [RO2S] AND [NO];\nIRR_OUTPUT RO3withNO2toPAN = PROD[PANS] FROM [RO3S] AND [NO2];\nIRR_OUTPUT ROXwithHO2 = LOSS [RO2S] AND [HO2] + LOSS [RO3S] AND [HO2];\nIRR_OUTPUT ROXwithRO2 = LOSS [RO2S] AND [RO2S] + LOSS [RO3S] AND [RO2S];\n\n! VOC fate\nIRR_OUTPUT ANTHRO_VOC_OH = LOSS[ANTHRO_VOC] AND [HO];\nIRR_OUTPUT ANTHRO_VOC_O3 = LOSS[ANTHRO_VOC] AND [O3];\nIRR_OUTPUT ANTHRO_VOC_NO3 = LOSS[ANTHRO_VOC] AND [NO3];\nIRR_OUTPUT BIO_VOCwithOH = LOSS[BIO_VOC] AND [HO];\nIRR_OUTPUT BIO_VOCwithO3 = LOSS[BIO_VOC] AND [O3];\nIRR_OUTPUT BIO_VOCwithNO3 = LOSS[BIO_VOC] AND [NO3];\n\n! New radicals\nIRR_OUTPUT OHfrO1D = PROD [HO] FROM [O1D];\n!\nIRR_OUTPUT NewHOxfromHCHO =2.0*; \nIRR_OUTPUT NewHOxfromH2O2 =2.0*H2O2_OHcyc[POSONLY];\nIRR_OUTPUT NewHOxfromHONO = HONOcyc[NEGONLY]; \nIRR_OUTPUT NewHOxfromHNOX = HNO4cyc[NEGONLY]; \n! from photolysis not including HCHO, HNO3 and HNO4\nIRR_OUTPUT NewHOxfromhv = + + 1.22* + \n+ + 2.0* + + + + 1.5* \n+ 1.5* + + 2.0* + 2.0* + 2.0*\n+ 2.0* + + ;\n! from O3+alkene reactions\nIRR_OUTPUT NewHOxfromO3 =0.230* + 0.550* + 0.530* +0.500*\n+0.900* + 0.840*; \n\n!radical loss from heterogeneous reactions\nIRR_OUTPUT NO2_LOSS_HET = ;\n\n! NOz production rates\n! use for O3 production efficiency = p(O3)/net_prod(NOz)\nIRR_OUTPUT NOZ_net_prod = NETP[NOZ];\n\n! use for O3 production efficiency = p(O3)/net_loss(NOx)\nIRR_OUTPUT NOX_net_loss = NETL[NOX];\n\n! use for O3 production efficiency = p(O3)/(NOz)= O3prod/NOZfromNOX\nIRR_OUTPUT NOZfrNOX = PANcyc[POSONLY] + PPNcyc[POSONLY] + MPANcyc[POSONLY] \n+ HONOcyc[POSONLY] + HNO4cyc[POSONLY] + NO3cyc[POSONLY] + N2O5cyc[POSONLY]\n+ PROD[ORG_NO3] FROM [NOX] + PROD[HNO3] FROM [NOX];\n\n! ASOAT production\nIRR_OUTPUT Prod_ASOAT_tot = PROD[ASOATJ];\nIRR_OUTPUT Prod_ASOAT_NOz = PROD[ASOATJ] FROM [NOX]\n+ PROD[ASOATJ] FROM [NO3];\n\n! HNO3 formation pathways\nIRR_OUTPUT HNO3prod = NETP[HNO3];\nIRR_OUTPUT HNO3fromOHNO2 = ;\nIRR_OUTPUT HNO3fromN2O5 = ;\nIRR_OUTPUT HNO3fromNO3 = PROD[HNO3] FROM [NO3];\n\n!H2O2 production\nIRR_OUTPUT H2O2prod = NETP[H2O2];\n\n! formaldehyde production and loss\nIRR_OUTPUT HCHOprod_tot = PROD[HCHO];\nIRR_OUTPUT HCHOprod_bio = PROD[HCHO] FROM [BIO_VOC]\n+ PROD[HCHO] FROM [BIO_RO2S] + PROD[HCHO] FROM [ISOPRENE_VOC];\nIRR_OUTPUT LOSS_HCHO = LOSS[HCHO];\n\n!production and loss for acetaldehyde and acrolein\nIRR_OUTPUT PROD_CH3CHO = PROD[ACD];\nIRR_OUTPUT PROD_ACROLEIN = PROD[ACRO];\nIRR_OUTPUT LOSS_ACD = LOSS[ACD];\nIRR_OUTPUT LOSS_ACRO = LOSS[ACRO];\n\n! alkyl nitrate pathways\n!\nIRR_OUTPUT ORGNO3prod = NETP[ORG_NO3];\nIRR_OUTPUT ORGNO3viaISO = PROD[ORG_NO3] FROM [ISOP];\nIRR_OUTPUT ORGNO3viaTERP = PROD[TRPN];\nIRR_OUTPUT ISONprod = PROD[ISON];\nIRR_OUTPUT TERPNO2fromTERP = PROD[SESQNRO2] FROM [SESQ]\n+ PROD[APINP1] FROM [API] + PROD[APINP2] FROM [API] \n + PROD[LIMALP] FROM [LIMAL]+ PROD[LIMNP1] FROM [LIMAL]\n + PROD[LIMNP2] FROM [LIMAL] \n + PROD[LIMP1] FROM [LIM] + PROD[LIMP2] FROM [LIM];\nIRR_OUTPUT SOAviaISOPRENE = PROD[ISOPRENE_SOA];\n!\nENDPA;\n" }, { "path": "CCTM/src/MECHS/cracmm1amore_aq/CSQY_DATA_cracmm1amore_aq", "content": "Table for Mechanism = CRACMM1AMORE_AQ \nNPHOTAB = 33\n!Individual rates listed below:\nO3O3P_NASA06 \nO3O1D_NASA06 \nH2O2_RACM2 \nNO2_RACM2 \nNO3NO_RACM2 \nNO3NO2_RACM2 \nHONO_RACM2 \nHNO3_RACM2 \nHNO4_RACM2 \nHCHO_MOL_JPL19 \nHCHO_RAD_JPL19 \nCH3CHO_RACM2 \nALD_JPL19 \nCH3COCH3A_JPL19 \nCH3COCH3B_JPL19 \nUALD_RACM2 \nMEK_JGR19 \nKET_JGR19 \nHKET_RACM2 \nMACR_RACM2 \nMVK_RACM2 \nGLYH2_RACM2 \nGLYF_RACM2 \nGLYHX_RACM2 \nMGLY_RACM2 \nBALD_RACM2 \nOP1_RACM2 \nPAA_RACM2 \nONIT_RACM2 \nPAN1_RACM2 \nPAN2_RACM2 \nHCHO_RAD_RACM2 \nACRO_09 \nNTEMP = 6\n! I TEMP( I ) K\n 1 210.00\n 2 230.00\n 3 250.00\n 4 270.00\n 5 290.00\n 6 310.00\n! Wavelength and Photolysis Rate Parameters for CMAQ In-Line Photolysis\n! calculation . The values are determined by averaging technique over the below\n! number of wavelength bins. The technique employs an approach used by the FASTJX\n! versions 6 and 7.\n!References:\n! 1) Bian, H. S. and Prather, M. J.: Fast-J2: accurate simulation of stratospheric\n! photolysis in global chemical models, J. Atmos. Chem., 41, 281-296\n doi:10.1023/A:1014980619462, 2002.\n! 2) Hsu, J. and Prather, M. J.: Stratospheric variability and tropospheric ozone,\n! J. Geophys. Res., 114, D06102, doi:10.1029/2008JD010942, 2009.\n! 3) Prather, M. J.: Fast-JX versions and utilities, available at:\n! http://www.ess.uci.edu/researchgrp/prather/scholar_software/fast-jx\n! (last accessed: 24 January 2014), 2014.\n! Wave bands and Solar Flux\n! \nN_INLINE_BAND = 7\n! I, START_WL_BIN(nm), EFFECT_WL_BIN_(nm), END_WL_BIN_(nm), photon_flux(cm-2*s-1), \n 1, 291.000, 294.590, 298.300, 5.8828E+14, \n 2, 298.300, 303.151, 307.500, 7.6354E+14, \n 3, 307.500, 310.007, 312.500, 5.0412E+14, \n 4, 312.500, 316.434, 320.300, 8.9628E+14, \n 5, 320.300, 333.076, 345.000, 3.8537E+15, \n 6, 345.000, 381.997, 412.500, 1.5457E+16, \n 7, 412.500, 607.723, 850.000, 2.1307E+17, \n!... CS = absorption cross sections averaged over UCI Solar Flux\n!... QY = quantum yields averaged over UCI Solar Flux\n!... EQY = eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n!PHOTAB QUANTITY TEMP WBIN( 1) WBIN( 2) WBIN( 3) WBIN( 4) WBIN( 5) WBIN( 6) WBIN( 7)\nO3O3P_NASA06 CS 210.000 7.688467E-19 2.422055E-19 8.920470E-20 3.650450E-20 4.746825E-21 6.139220E-23 1.666851E-21\nO3O3P_NASA06 EQY 210.000 1.000000E-01 1.041791E-01 4.952917E-01 8.153871E-01 8.979595E-01 9.291306E-01 1.000000E+00\nO3O3P_NASA06 CS 230.000 7.803585E-19 2.474376E-19 9.195177E-20 3.806528E-20 5.075878E-21 6.139220E-23 1.666851E-21\nO3O3P_NASA06 EQY 230.000 1.000000E-01 1.041791E-01 4.902279E-01 8.178273E-01 8.979595E-01 9.291306E-01 1.000000E+00\nO3O3P_NASA06 CS 250.000 7.995448E-19 2.561579E-19 9.653022E-20 4.066658E-20 5.624299E-21 6.139220E-23 1.666851E-21\nO3O3P_NASA06 EQY 250.000 1.000000E-01 1.041791E-01 4.818958E-01 8.188244E-01 8.979595E-01 9.291306E-01 1.000000E+00\nO3O3P_NASA06 CS 270.000 8.187311E-19 2.648782E-19 1.011087E-19 4.326788E-20 6.172721E-21 6.139220E-23 1.666851E-21\nO3O3P_NASA06 EQY 270.000 1.000000E-01 1.041791E-01 4.677566E-01 8.131744E-01 8.979595E-01 9.291306E-01 1.000000E+00\nO3O3P_NASA06 CS 290.000 8.379175E-19 2.735984E-19 1.056871E-19 4.586918E-20 6.721143E-21 6.139220E-23 1.666851E-21\nO3O3P_NASA06 EQY 290.000 1.000000E-01 1.041791E-01 4.431264E-01 7.889175E-01 8.979595E-01 9.291306E-01 1.000000E+00\nO3O3P_NASA06 CS 310.000 8.407954E-19 2.749065E-19 1.063739E-19 4.625938E-20 6.803406E-21 6.139220E-23 1.666851E-21\nO3O3P_NASA06 EQY 310.000 1.000000E-01 1.041791E-01 3.989815E-01 7.203341E-01 8.979595E-01 9.291306E-01 1.000000E+00\nO3O1D_NASA06 CS 210.000 7.808049E-19 2.423500E-19 8.920470E-20 3.650450E-20 4.604240E-21 5.459842E-23 0.000000E+00\nO3O1D_NASA06 EQY 210.000 9.000000E-01 8.958209E-01 5.047083E-01 1.846129E-01 1.020405E-01 7.086939E-02 0.000000E+00\nO3O1D_NASA06 CS 230.000 7.924958E-19 2.475853E-19 9.195177E-20 3.806528E-20 4.923409E-21 5.459842E-23 0.000000E+00\nO3O1D_NASA06 EQY 230.000 9.000000E-01 8.958209E-01 5.097721E-01 1.821727E-01 1.020405E-01 7.086939E-02 0.000000E+00\nO3O1D_NASA06 CS 250.000 8.119805E-19 2.563108E-19 9.653022E-20 4.066658E-20 5.455358E-21 5.459842E-23 0.000000E+00\nO3O1D_NASA06 EQY 250.000 9.000000E-01 8.958209E-01 5.181042E-01 1.811756E-01 1.020405E-01 7.086939E-02 0.000000E+00\nO3O1D_NASA06 CS 270.000 8.314653E-19 2.650363E-19 1.011087E-19 4.326788E-20 5.987306E-21 5.459842E-23 0.000000E+00\nO3O1D_NASA06 EQY 270.000 9.000000E-01 8.958209E-01 5.322434E-01 1.868256E-01 1.020405E-01 7.086939E-02 0.000000E+00\nO3O1D_NASA06 CS 290.000 8.509500E-19 2.737617E-19 1.056871E-19 4.586918E-20 6.519254E-21 5.459842E-23 0.000000E+00\nO3O1D_NASA06 EQY 290.000 9.000000E-01 8.958209E-01 5.568736E-01 2.110825E-01 1.020405E-01 7.086939E-02 0.000000E+00\nO3O1D_NASA06 CS 310.000 8.538727E-19 2.750705E-19 1.063739E-19 4.625938E-20 6.599046E-21 5.459842E-23 0.000000E+00\nO3O1D_NASA06 EQY 310.000 9.000000E-01 8.958209E-01 6.010185E-01 2.796659E-01 1.020405E-01 7.086939E-02 0.000000E+00\nH2O2_RACM2 CS 210.000 8.527608E-21 5.100901E-21 3.367998E-21 2.275936E-21 8.877982E-22 3.606306E-23 0.000000E+00\nH2O2_RACM2 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nH2O2_RACM2 CS 230.000 8.650794E-21 5.196512E-21 3.446407E-21 2.339455E-21 9.231624E-22 3.606306E-23 0.000000E+00\nH2O2_RACM2 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nH2O2_RACM2 CS 250.000 8.817123E-21 5.325610E-21 3.552278E-21 2.425221E-21 9.709122E-22 3.606306E-23 0.000000E+00\nH2O2_RACM2 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nH2O2_RACM2 CS 270.000 9.028511E-21 5.489680E-21 3.686830E-21 2.534221E-21 1.031598E-21 3.606306E-23 0.000000E+00\nH2O2_RACM2 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nH2O2_RACM2 CS 290.000 9.284830E-21 5.688624E-21 3.849979E-21 2.666389E-21 1.105182E-21 3.606306E-23 0.000000E+00\nH2O2_RACM2 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nH2O2_RACM2 CS 310.000 9.584270E-21 5.921037E-21 4.040577E-21 2.820792E-21 1.191145E-21 3.606306E-23 0.000000E+00\nH2O2_RACM2 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nNO2_RACM2 CS 210.000 1.058805E-19 1.460434E-19 1.905840E-19 2.362586E-19 3.715161E-19 5.867486E-19 1.088657E-19\nNO2_RACM2 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 7.961922E-01 2.423882E-03\nNO2_RACM2 CS 230.000 1.060328E-19 1.459734E-19 1.901860E-19 2.350003E-19 3.679235E-19 5.852241E-19 1.085850E-19\nNO2_RACM2 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 7.961922E-01 2.423882E-03\nNO2_RACM2 CS 250.000 1.063375E-19 1.458335E-19 1.893902E-19 2.324836E-19 3.607383E-19 5.821752E-19 1.080235E-19\nNO2_RACM2 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 7.969987E-01 2.507727E-03\nNO2_RACM2 CS 270.000 1.066422E-19 1.456936E-19 1.885943E-19 2.299669E-19 3.535530E-19 5.791262E-19 1.074620E-19\nNO2_RACM2 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 8.050633E-01 3.346181E-03\nNO2_RACM2 CS 290.000 1.069468E-19 1.455536E-19 1.877985E-19 2.274503E-19 3.463678E-19 5.760772E-19 1.069005E-19\nNO2_RACM2 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 8.131279E-01 4.184634E-03\nNO2_RACM2 CS 310.000 1.070078E-19 1.455256E-19 1.876393E-19 2.269469E-19 3.449308E-19 5.754674E-19 1.067882E-19\nNO2_RACM2 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 8.163537E-01 4.520015E-03\nNO3NO_RACM2 CS 210.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 5.348470E-21 1.872219E-18\nNO3NO_RACM2 EQY 210.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 6.767835E-02\nNO3NO_RACM2 CS 230.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 5.075907E-21 1.776809E-18\nNO3NO_RACM2 EQY 230.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 6.699507E-02\nNO3NO_RACM2 CS 250.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.791067E-21 1.677102E-18\nNO3NO_RACM2 EQY 250.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 6.679738E-02\nNO3NO_RACM2 CS 270.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.498338E-21 1.574633E-18\nNO3NO_RACM2 EQY 270.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 6.659967E-02\nNO3NO_RACM2 CS 290.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.201227E-21 1.470630E-18\nNO3NO_RACM2 EQY 290.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 6.640198E-02\nNO3NO_RACM2 CS 310.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 3.902507E-21 1.366063E-18\nNO3NO_RACM2 EQY 310.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 6.632289E-02\nNO3NO2_RACM2 CS 210.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 5.348470E-21 1.872219E-18\nNO3NO2_RACM2 EQY 210.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00 5.038201E-01\nNO3NO2_RACM2 CS 230.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 5.075907E-21 1.776809E-18\nNO3NO2_RACM2 EQY 230.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00 5.129623E-01\nNO3NO2_RACM2 CS 250.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.791067E-21 1.677102E-18\nNO3NO2_RACM2 EQY 250.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00 5.207280E-01\nNO3NO2_RACM2 CS 270.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.498338E-21 1.574633E-18\nNO3NO2_RACM2 EQY 270.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00 5.284936E-01\nNO3NO2_RACM2 CS 290.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.201227E-21 1.470630E-18\nNO3NO2_RACM2 EQY 290.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00 5.362592E-01\nNO3NO2_RACM2 CS 310.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 3.902507E-21 1.366063E-18\nNO3NO2_RACM2 EQY 310.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00 5.393655E-01\nHONO_RACM2 CS 210.000 5.628977E-21 9.694364E-21 1.881716E-20 2.969466E-20 7.453932E-20 6.563367E-20 0.000000E+00\nHONO_RACM2 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHONO_RACM2 CS 230.000 5.628977E-21 9.694364E-21 1.881716E-20 2.969466E-20 7.453932E-20 6.563367E-20 0.000000E+00\nHONO_RACM2 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHONO_RACM2 CS 250.000 5.628977E-21 9.694364E-21 1.881716E-20 2.969466E-20 7.453932E-20 6.563367E-20 0.000000E+00\nHONO_RACM2 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHONO_RACM2 CS 270.000 5.628977E-21 9.694364E-21 1.881716E-20 2.969466E-20 7.453932E-20 6.563367E-20 0.000000E+00\nHONO_RACM2 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHONO_RACM2 CS 290.000 5.628977E-21 9.694364E-21 1.881716E-20 2.969466E-20 7.453932E-20 6.563367E-20 0.000000E+00\nHONO_RACM2 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHONO_RACM2 CS 310.000 5.628977E-21 9.694364E-21 1.881716E-20 2.969466E-20 7.453932E-20 6.563367E-20 0.000000E+00\nHONO_RACM2 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHNO3_RACM2 CS 210.000 3.477740E-21 1.421362E-21 5.692533E-22 2.194328E-22 2.062589E-23 3.797806E-25 0.000000E+00\nHNO3_RACM2 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHNO3_RACM2 CS 230.000 3.663356E-21 1.522325E-21 6.201572E-22 2.451096E-22 2.494077E-23 3.837348E-25 0.000000E+00\nHNO3_RACM2 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHNO3_RACM2 CS 250.000 3.858879E-21 1.630460E-21 6.756130E-22 2.737909E-22 3.015831E-23 3.877301E-25 0.000000E+00\nHNO3_RACM2 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHNO3_RACM2 CS 270.000 4.064837E-21 1.746275E-21 7.360279E-22 3.058283E-22 3.646735E-23 3.917671E-25 0.000000E+00\nHNO3_RACM2 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHNO3_RACM2 CS 290.000 4.281789E-21 1.870318E-21 8.018451E-22 3.416145E-22 4.409623E-23 3.958460E-25 0.000000E+00\nHNO3_RACM2 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHNO3_RACM2 CS 310.000 4.510320E-21 2.003171E-21 8.735479E-22 3.815883E-22 5.332105E-23 3.999674E-25 0.000000E+00\nHNO3_RACM2 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHNO4_RACM2 CS 210.000 2.329949E-20 9.144530E-21 3.983048E-21 1.967534E-21 3.976035E-22 3.285247E-24 0.000000E+00\nHNO4_RACM2 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHNO4_RACM2 CS 230.000 2.378244E-20 9.477436E-21 4.200296E-21 2.110804E-21 4.511061E-22 4.554065E-24 0.000000E+00\nHNO4_RACM2 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHNO4_RACM2 CS 250.000 2.447801E-20 9.956912E-21 4.513192E-21 2.317151E-21 5.281641E-22 6.381496E-24 0.000000E+00\nHNO4_RACM2 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHNO4_RACM2 CS 270.000 2.541218E-20 1.060086E-20 4.933421E-21 2.594282E-21 6.316551E-22 8.835790E-24 0.000000E+00\nHNO4_RACM2 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHNO4_RACM2 CS 290.000 2.660059E-20 1.142006E-20 5.468013E-21 2.946832E-21 7.633113E-22 1.195802E-23 0.000000E+00\nHNO4_RACM2 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHNO4_RACM2 CS 310.000 2.804907E-20 1.241853E-20 6.119599E-21 3.376538E-21 9.237795E-22 1.576353E-23 0.000000E+00\nHNO4_RACM2 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHCHO_MOL_JPL19 CS 210.000 3.436202E-20 3.561495E-20 1.661439E-20 3.505164E-20 1.949427E-20 8.453695E-22 0.000000E+00\nHCHO_MOL_JPL19 EQY 210.000 2.573368E-01 2.406493E-01 2.610733E-01 3.312798E-01 6.395736E-01 3.544923E-01 0.000000E+00\nHCHO_MOL_JPL19 CS 230.000 3.432947E-20 3.561257E-20 1.660507E-20 3.507666E-20 1.950541E-20 8.448212E-22 0.000000E+00\nHCHO_MOL_JPL19 EQY 230.000 2.573368E-01 2.406493E-01 2.610733E-01 3.312798E-01 6.347457E-01 3.406936E-01 0.000000E+00\nHCHO_MOL_JPL19 CS 250.000 3.429692E-20 3.561019E-20 1.659575E-20 3.510169E-20 1.951654E-20 8.442728E-22 0.000000E+00\nHCHO_MOL_JPL19 EQY 250.000 2.573368E-01 2.406493E-01 2.610733E-01 3.312798E-01 6.247651E-01 3.155994E-01 0.000000E+00\nHCHO_MOL_JPL19 CS 270.000 3.426437E-20 3.560782E-20 1.658643E-20 3.512672E-20 1.952767E-20 8.437245E-22 0.000000E+00\nHCHO_MOL_JPL19 EQY 270.000 2.573368E-01 2.406493E-01 2.610733E-01 3.312798E-01 6.145213E-01 2.936854E-01 0.000000E+00\nHCHO_MOL_JPL19 CS 290.000 3.423181E-20 3.560544E-20 1.657710E-20 3.515175E-20 1.953881E-20 8.431761E-22 0.000000E+00\nHCHO_MOL_JPL19 EQY 290.000 2.573368E-01 2.406493E-01 2.610733E-01 3.312798E-01 6.040692E-01 2.744425E-01 0.000000E+00\nHCHO_MOL_JPL19 CS 310.000 3.421553E-20 3.560425E-20 1.657244E-20 3.516426E-20 1.954437E-20 8.429019E-22 0.000000E+00\nHCHO_MOL_JPL19 EQY 310.000 2.573368E-01 2.406493E-01 2.610733E-01 3.312798E-01 5.987564E-01 2.656473E-01 0.000000E+00\nHCHO_RAD_JPL19 CS 210.000 3.436202E-20 3.561495E-20 1.661439E-20 3.505164E-20 1.949427E-20 8.453695E-22 0.000000E+00\nHCHO_RAD_JPL19 EQY 210.000 7.308307E-01 7.593507E-01 7.389267E-01 6.687202E-01 2.626862E-01 0.000000E+00 0.000000E+00\nHCHO_RAD_JPL19 CS 230.000 3.432947E-20 3.561257E-20 1.660507E-20 3.507666E-20 1.950541E-20 8.448212E-22 0.000000E+00\nHCHO_RAD_JPL19 EQY 230.000 7.308307E-01 7.593507E-01 7.389267E-01 6.687202E-01 2.626862E-01 0.000000E+00 0.000000E+00\nHCHO_RAD_JPL19 CS 250.000 3.429692E-20 3.561019E-20 1.659575E-20 3.510169E-20 1.951654E-20 8.442728E-22 0.000000E+00\nHCHO_RAD_JPL19 EQY 250.000 7.308307E-01 7.593507E-01 7.389267E-01 6.687202E-01 2.626862E-01 0.000000E+00 0.000000E+00\nHCHO_RAD_JPL19 CS 270.000 3.426437E-20 3.560782E-20 1.658643E-20 3.512672E-20 1.952767E-20 8.437245E-22 0.000000E+00\nHCHO_RAD_JPL19 EQY 270.000 7.308307E-01 7.593507E-01 7.389267E-01 6.687202E-01 2.626862E-01 0.000000E+00 0.000000E+00\nHCHO_RAD_JPL19 CS 290.000 3.423181E-20 3.560544E-20 1.657710E-20 3.515175E-20 1.953881E-20 8.431761E-22 0.000000E+00\nHCHO_RAD_JPL19 EQY 290.000 7.308307E-01 7.593507E-01 7.389267E-01 6.687202E-01 2.626862E-01 0.000000E+00 0.000000E+00\nHCHO_RAD_JPL19 CS 310.000 3.421553E-20 3.560425E-20 1.657244E-20 3.516426E-20 1.954437E-20 8.429019E-22 0.000000E+00\nHCHO_RAD_JPL19 EQY 310.000 7.308307E-01 7.593507E-01 7.389267E-01 6.687202E-01 2.626862E-01 0.000000E+00 0.000000E+00\nCH3CHO_RACM2 CS 210.000 4.432880E-20 3.689178E-20 2.913527E-20 2.067145E-20 5.819010E-21 1.448852E-23 0.000000E+00\nCH3CHO_RACM2 EQY 210.000 4.909960E-01 3.900005E-01 2.794830E-01 1.560880E-01 3.457768E-02 0.000000E+00 0.000000E+00\nCH3CHO_RACM2 CS 230.000 4.432880E-20 3.689178E-20 2.913527E-20 2.067145E-20 5.819010E-21 1.448852E-23 0.000000E+00\nCH3CHO_RACM2 EQY 230.000 4.909960E-01 3.900005E-01 2.794830E-01 1.560880E-01 3.457768E-02 0.000000E+00 0.000000E+00\nCH3CHO_RACM2 CS 250.000 4.432880E-20 3.689178E-20 2.913527E-20 2.067145E-20 5.819010E-21 1.448852E-23 0.000000E+00\nCH3CHO_RACM2 EQY 250.000 4.909960E-01 3.900005E-01 2.794830E-01 1.560880E-01 3.457768E-02 0.000000E+00 0.000000E+00\nCH3CHO_RACM2 CS 270.000 4.432880E-20 3.689178E-20 2.913527E-20 2.067145E-20 5.819010E-21 1.448852E-23 0.000000E+00\nCH3CHO_RACM2 EQY 270.000 4.909960E-01 3.900005E-01 2.794830E-01 1.560880E-01 3.457768E-02 0.000000E+00 0.000000E+00\nCH3CHO_RACM2 CS 290.000 4.432880E-20 3.689178E-20 2.913527E-20 2.067145E-20 5.819010E-21 1.448852E-23 0.000000E+00\nCH3CHO_RACM2 EQY 290.000 4.909960E-01 3.900005E-01 2.794830E-01 1.560880E-01 3.457768E-02 0.000000E+00 0.000000E+00\nCH3CHO_RACM2 CS 310.000 4.432880E-20 3.689178E-20 2.913527E-20 2.067145E-20 5.819010E-21 1.448852E-23 0.000000E+00\nCH3CHO_RACM2 EQY 310.000 4.909960E-01 3.900005E-01 2.794830E-01 1.560880E-01 3.457768E-02 0.000000E+00 0.000000E+00\nALD_JPL19 CS 210.000 5.545019E-20 4.634689E-20 3.579653E-20 2.441742E-20 5.836673E-21 1.243216E-23 0.000000E+00\nALD_JPL19 EQY 210.000 7.650582E-01 4.959521E-01 3.110854E-01 1.880053E-01 5.620141E-02 3.880543E-04 0.000000E+00\nALD_JPL19 CS 230.000 5.545019E-20 4.634689E-20 3.579653E-20 2.441742E-20 5.836673E-21 1.243216E-23 0.000000E+00\nALD_JPL19 EQY 230.000 7.650582E-01 4.959521E-01 3.110854E-01 1.880053E-01 5.620141E-02 3.880543E-04 0.000000E+00\nALD_JPL19 CS 250.000 5.545019E-20 4.634689E-20 3.579653E-20 2.441742E-20 5.836673E-21 1.243216E-23 0.000000E+00\nALD_JPL19 EQY 250.000 7.650582E-01 4.959521E-01 3.110854E-01 1.880053E-01 5.620141E-02 3.880543E-04 0.000000E+00\nALD_JPL19 CS 270.000 5.545019E-20 4.634689E-20 3.579653E-20 2.441742E-20 5.836673E-21 1.243216E-23 0.000000E+00\nALD_JPL19 EQY 270.000 7.650582E-01 4.959521E-01 3.110854E-01 1.880053E-01 5.620141E-02 3.880543E-04 0.000000E+00\nALD_JPL19 CS 290.000 5.545019E-20 4.634689E-20 3.579653E-20 2.441742E-20 5.836673E-21 1.243216E-23 0.000000E+00\nALD_JPL19 EQY 290.000 7.650582E-01 4.959521E-01 3.110854E-01 1.880053E-01 5.620141E-02 3.880543E-04 0.000000E+00\nALD_JPL19 CS 310.000 5.545019E-20 4.634689E-20 3.579653E-20 2.441742E-20 5.836673E-21 1.243216E-23 0.000000E+00\nALD_JPL19 EQY 310.000 7.650582E-01 4.959521E-01 3.110854E-01 1.880053E-01 5.620141E-02 3.880543E-04 0.000000E+00\nCH3COCH3A_JPL19 CS 210.000 3.093982E-20 1.932871E-20 1.074082E-20 5.401566E-21 3.042770E-22 0.000000E+00 0.000000E+00\nCH3COCH3A_JPL19 EQY 210.000 3.050471E-01 8.750076E-02 1.202798E-02 1.958962E-03 1.000649E-04 0.000000E+00 0.000000E+00\nCH3COCH3A_JPL19 CS 230.000 3.149499E-20 2.006286E-20 1.149978E-20 5.882838E-21 3.324875E-22 0.000000E+00 0.000000E+00\nCH3COCH3A_JPL19 EQY 230.000 2.787375E-01 9.397311E-02 1.661723E-02 3.420933E-03 2.896750E-04 0.000000E+00 0.000000E+00\nCH3COCH3A_JPL19 CS 250.000 3.221698E-20 2.085074E-20 1.224359E-20 6.367100E-21 3.824558E-22 0.000000E+00 0.000000E+00\nCH3COCH3A_JPL19 EQY 250.000 2.691839E-01 1.077206E-01 2.349230E-02 5.851198E-03 7.538323E-04 0.000000E+00 0.000000E+00\nCH3COCH3A_JPL19 CS 270.000 3.310749E-20 2.165984E-20 1.292394E-20 6.826211E-21 4.569583E-22 0.000000E+00 0.000000E+00\nCH3COCH3A_JPL19 EQY 270.000 2.670556E-01 1.277864E-01 3.342436E-02 9.777799E-03 1.796207E-03 0.000000E+00 0.000000E+00\nCH3COCH3A_JPL19 CS 290.000 3.416823E-20 2.245764E-20 1.349254E-20 7.232033E-21 5.587719E-22 0.000000E+00 0.000000E+00\nCH3COCH3A_JPL19 EQY 290.000 2.665285E-01 1.530424E-01 4.715588E-02 1.588624E-02 3.968139E-03 0.000000E+00 0.000000E+00\nCH3COCH3A_JPL19 CS 310.000 3.540091E-20 2.321163E-20 1.390108E-20 7.556429E-21 6.906736E-22 0.000000E+00 0.000000E+00\nCH3COCH3A_JPL19 EQY 310.000 2.639931E-01 1.814900E-01 6.511231E-02 2.493997E-02 8.189921E-03 0.000000E+00 0.000000E+00\nCH3COCH3B_JPL19 CS 210.000 3.093982E-20 1.932871E-20 1.074082E-20 5.401566E-21 3.042770E-22 0.000000E+00 0.000000E+00\nCH3COCH3B_JPL19 EQY 210.000 3.229218E-04 7.721466E-05 2.367151E-05 8.249256E-06 9.221447E-07 0.000000E+00 0.000000E+00\nCH3COCH3B_JPL19 CS 230.000 3.149499E-20 2.006286E-20 1.149978E-20 5.882838E-21 3.324875E-22 0.000000E+00 0.000000E+00\nCH3COCH3B_JPL19 EQY 230.000 2.173083E-03 7.072018E-04 2.773263E-04 1.217087E-04 2.470983E-05 0.000000E+00 0.000000E+00\nCH3COCH3B_JPL19 CS 250.000 3.221698E-20 2.085074E-20 1.224359E-20 6.367100E-21 3.824558E-22 0.000000E+00 0.000000E+00\nCH3COCH3B_JPL19 EQY 250.000 8.847268E-03 3.614042E-03 1.697250E-03 8.814140E-04 2.763485E-04 0.000000E+00 0.000000E+00\nCH3COCH3B_JPL19 CS 270.000 3.310749E-20 2.165984E-20 1.292394E-20 6.826211E-21 4.569583E-22 0.000000E+00 0.000000E+00\nCH3COCH3B_JPL19 EQY 270.000 2.542563E-02 1.237548E-02 6.667331E-03 3.932365E-03 1.708441E-03 0.000000E+00 0.000000E+00\nCH3COCH3B_JPL19 CS 290.000 3.416823E-20 2.245764E-20 1.349254E-20 7.232033E-21 5.587719E-22 0.000000E+00 0.000000E+00\nCH3COCH3B_JPL19 EQY 290.000 5.670215E-02 3.177502E-02 1.909137E-02 1.244460E-02 6.963594E-03 0.000000E+00 0.000000E+00\nCH3COCH3B_JPL19 CS 310.000 3.540091E-20 2.321163E-20 1.390108E-20 7.556429E-21 6.906736E-22 0.000000E+00 0.000000E+00\nCH3COCH3B_JPL19 EQY 310.000 1.044077E-01 6.573535E-02 4.320569E-02 3.056103E-02 2.096195E-02 0.000000E+00 0.000000E+00\nUALD_RACM2 CS 210.000 2.726167E-20 3.900286E-20 4.799106E-20 5.560386E-20 5.993363E-20 1.199965E-20 0.000000E+00\nUALD_RACM2 EQY 210.000 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 0.000000E+00\nUALD_RACM2 CS 230.000 2.726167E-20 3.900286E-20 4.799106E-20 5.560386E-20 5.993363E-20 1.199965E-20 0.000000E+00\nUALD_RACM2 EQY 230.000 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 0.000000E+00\nUALD_RACM2 CS 250.000 2.726167E-20 3.900286E-20 4.799106E-20 5.560386E-20 5.993363E-20 1.199965E-20 0.000000E+00\nUALD_RACM2 EQY 250.000 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 0.000000E+00\nUALD_RACM2 CS 270.000 2.726167E-20 3.900286E-20 4.799106E-20 5.560386E-20 5.993363E-20 1.199965E-20 0.000000E+00\nUALD_RACM2 EQY 270.000 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 0.000000E+00\nUALD_RACM2 CS 290.000 2.726167E-20 3.900286E-20 4.799106E-20 5.560386E-20 5.993363E-20 1.199965E-20 0.000000E+00\nUALD_RACM2 EQY 290.000 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 0.000000E+00\nUALD_RACM2 CS 310.000 2.726167E-20 3.900286E-20 4.799106E-20 5.560386E-20 5.993363E-20 1.199965E-20 0.000000E+00\nUALD_RACM2 EQY 310.000 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 0.000000E+00\nMEK_JGR19 CS 210.000 4.136901E-20 2.660165E-20 1.555986E-20 7.628035E-21 7.691484E-22 0.000000E+00 0.000000E+00\nMEK_JGR19 EQY 210.000 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 0.000000E+00 0.000000E+00\nMEK_JGR19 CS 230.000 4.136901E-20 2.660165E-20 1.555986E-20 7.628035E-21 7.691484E-22 0.000000E+00 0.000000E+00\nMEK_JGR19 EQY 230.000 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 0.000000E+00 0.000000E+00\nMEK_JGR19 CS 250.000 4.136901E-20 2.660165E-20 1.555986E-20 7.628035E-21 7.691484E-22 0.000000E+00 0.000000E+00\nMEK_JGR19 EQY 250.000 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 0.000000E+00 0.000000E+00\nMEK_JGR19 CS 270.000 4.136901E-20 2.660165E-20 1.555986E-20 7.628035E-21 7.691484E-22 0.000000E+00 0.000000E+00\nMEK_JGR19 EQY 270.000 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 0.000000E+00 0.000000E+00\nMEK_JGR19 CS 290.000 4.136901E-20 2.660165E-20 1.555986E-20 7.628035E-21 7.691484E-22 0.000000E+00 0.000000E+00\nMEK_JGR19 EQY 290.000 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 0.000000E+00 0.000000E+00\nMEK_JGR19 CS 310.000 4.136901E-20 2.660165E-20 1.555986E-20 7.628035E-21 7.691484E-22 0.000000E+00 0.000000E+00\nMEK_JGR19 EQY 310.000 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 0.000000E+00 0.000000E+00\nKET_JGR19 CS 210.000 4.752487E-20 3.017679E-20 1.668608E-20 8.110916E-21 7.302181E-22 0.000000E+00 0.000000E+00\nKET_JGR19 EQY 210.000 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 0.000000E+00 0.000000E+00\nKET_JGR19 CS 230.000 4.752487E-20 3.017679E-20 1.668608E-20 8.110916E-21 7.302181E-22 0.000000E+00 0.000000E+00\nKET_JGR19 EQY 230.000 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 0.000000E+00 0.000000E+00\nKET_JGR19 CS 250.000 4.752487E-20 3.017679E-20 1.668608E-20 8.110916E-21 7.302181E-22 0.000000E+00 0.000000E+00\nKET_JGR19 EQY 250.000 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 0.000000E+00 0.000000E+00\nKET_JGR19 CS 270.000 4.752487E-20 3.017679E-20 1.668608E-20 8.110916E-21 7.302181E-22 0.000000E+00 0.000000E+00\nKET_JGR19 EQY 270.000 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 0.000000E+00 0.000000E+00\nKET_JGR19 CS 290.000 4.752487E-20 3.017679E-20 1.668608E-20 8.110916E-21 7.302181E-22 0.000000E+00 0.000000E+00\nKET_JGR19 EQY 290.000 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 0.000000E+00 0.000000E+00\nKET_JGR19 CS 310.000 4.752487E-20 3.017679E-20 1.668608E-20 8.110916E-21 7.302181E-22 0.000000E+00 0.000000E+00\nKET_JGR19 EQY 310.000 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 0.000000E+00 0.000000E+00\nHKET_RACM2 CS 210.000 1.992923E-20 7.535076E-21 2.932970E-21 1.413067E-21 3.523287E-22 0.000000E+00 0.000000E+00\nHKET_RACM2 EQY 210.000 6.500000E-01 6.500000E-01 6.500000E-01 6.500000E-01 6.500000E-01 0.000000E+00 0.000000E+00\nHKET_RACM2 CS 230.000 1.992923E-20 7.535076E-21 2.932970E-21 1.413067E-21 3.523287E-22 0.000000E+00 0.000000E+00\nHKET_RACM2 EQY 230.000 6.500000E-01 6.500000E-01 6.500000E-01 6.500000E-01 6.500000E-01 0.000000E+00 0.000000E+00\nHKET_RACM2 CS 250.000 1.992923E-20 7.535076E-21 2.932970E-21 1.413067E-21 3.523287E-22 0.000000E+00 0.000000E+00\nHKET_RACM2 EQY 250.000 6.500000E-01 6.500000E-01 6.500000E-01 6.500000E-01 6.500000E-01 0.000000E+00 0.000000E+00\nHKET_RACM2 CS 270.000 1.992923E-20 7.535076E-21 2.932970E-21 1.413067E-21 3.523287E-22 0.000000E+00 0.000000E+00\nHKET_RACM2 EQY 270.000 6.500000E-01 6.500000E-01 6.500000E-01 6.500000E-01 6.500000E-01 0.000000E+00 0.000000E+00\nHKET_RACM2 CS 290.000 1.992923E-20 7.535076E-21 2.932970E-21 1.413067E-21 3.523287E-22 0.000000E+00 0.000000E+00\nHKET_RACM2 EQY 290.000 6.500000E-01 6.500000E-01 6.500000E-01 6.500000E-01 6.500000E-01 0.000000E+00 0.000000E+00\nHKET_RACM2 CS 310.000 1.992923E-20 7.535076E-21 2.932970E-21 1.413067E-21 3.523287E-22 0.000000E+00 0.000000E+00\nHKET_RACM2 EQY 310.000 6.500000E-01 6.500000E-01 6.500000E-01 6.500000E-01 6.500000E-01 0.000000E+00 0.000000E+00\nMACR_RACM2 CS 210.000 2.653810E-20 3.941266E-20 4.989643E-20 5.893396E-20 6.529031E-20 1.389067E-20 0.000000E+00\nMACR_RACM2 EQY 210.000 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 0.000000E+00\nMACR_RACM2 CS 230.000 2.653810E-20 3.941266E-20 4.989643E-20 5.893396E-20 6.529031E-20 1.389067E-20 0.000000E+00\nMACR_RACM2 EQY 230.000 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 0.000000E+00\nMACR_RACM2 CS 250.000 2.653810E-20 3.941266E-20 4.989643E-20 5.893396E-20 6.529031E-20 1.389067E-20 0.000000E+00\nMACR_RACM2 EQY 250.000 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 0.000000E+00\nMACR_RACM2 CS 270.000 2.653810E-20 3.941266E-20 4.989643E-20 5.893396E-20 6.529031E-20 1.389067E-20 0.000000E+00\nMACR_RACM2 EQY 270.000 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 0.000000E+00\nMACR_RACM2 CS 290.000 2.653810E-20 3.941266E-20 4.989643E-20 5.893396E-20 6.529031E-20 1.389067E-20 0.000000E+00\nMACR_RACM2 EQY 290.000 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 0.000000E+00\nMACR_RACM2 CS 310.000 2.653810E-20 3.941266E-20 4.989643E-20 5.893396E-20 6.529031E-20 1.389067E-20 0.000000E+00\nMACR_RACM2 EQY 310.000 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 0.000000E+00\nMVK_RACM2 CS 210.000 3.026195E-20 4.372470E-20 5.436504E-20 6.304111E-20 6.815623E-20 1.494179E-20 0.000000E+00\nMVK_RACM2 EQY 210.000 1.750145E-02 1.106229E-02 7.572843E-03 5.008090E-03 2.251655E-03 4.698719E-04 0.000000E+00\nMVK_RACM2 CS 230.000 3.026195E-20 4.372470E-20 5.436504E-20 6.304111E-20 6.815623E-20 1.494179E-20 0.000000E+00\nMVK_RACM2 EQY 230.000 1.750145E-02 1.106229E-02 7.572843E-03 5.008090E-03 2.251655E-03 4.698719E-04 0.000000E+00\nMVK_RACM2 CS 250.000 3.026195E-20 4.372470E-20 5.436504E-20 6.304111E-20 6.815623E-20 1.494179E-20 0.000000E+00\nMVK_RACM2 EQY 250.000 1.750145E-02 1.106229E-02 7.572843E-03 5.008090E-03 2.251655E-03 4.698719E-04 0.000000E+00\nMVK_RACM2 CS 270.000 3.026195E-20 4.372470E-20 5.436504E-20 6.304111E-20 6.815623E-20 1.494179E-20 0.000000E+00\nMVK_RACM2 EQY 270.000 1.750145E-02 1.106229E-02 7.572843E-03 5.008090E-03 2.251655E-03 4.698719E-04 0.000000E+00\nMVK_RACM2 CS 290.000 3.026195E-20 4.372470E-20 5.436504E-20 6.304111E-20 6.815623E-20 1.494179E-20 0.000000E+00\nMVK_RACM2 EQY 290.000 1.750145E-02 1.106229E-02 7.572843E-03 5.008090E-03 2.251655E-03 4.698719E-04 0.000000E+00\nMVK_RACM2 CS 310.000 3.026195E-20 4.372470E-20 5.436504E-20 6.304111E-20 6.815623E-20 1.494179E-20 0.000000E+00\nMVK_RACM2 EQY 310.000 1.750145E-02 1.106229E-02 7.572843E-03 5.008090E-03 2.251655E-03 4.698719E-04 0.000000E+00\nGLYH2_RACM2 CS 210.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYH2_RACM2 EQY 210.000 2.083945E-01 1.741676E-01 1.458094E-01 1.226219E-01 7.896682E-02 4.675626E-04 0.000000E+00\nGLYH2_RACM2 CS 230.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYH2_RACM2 EQY 230.000 2.083945E-01 1.741676E-01 1.458094E-01 1.226219E-01 7.896682E-02 4.675626E-04 0.000000E+00\nGLYH2_RACM2 CS 250.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYH2_RACM2 EQY 250.000 2.083945E-01 1.741676E-01 1.458094E-01 1.226219E-01 7.896682E-02 4.675626E-04 0.000000E+00\nGLYH2_RACM2 CS 270.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYH2_RACM2 EQY 270.000 2.083945E-01 1.741676E-01 1.458094E-01 1.226219E-01 7.896682E-02 4.675626E-04 0.000000E+00\nGLYH2_RACM2 CS 290.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYH2_RACM2 EQY 290.000 2.083945E-01 1.741676E-01 1.458094E-01 1.226219E-01 7.896682E-02 4.675626E-04 0.000000E+00\nGLYH2_RACM2 CS 310.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYH2_RACM2 EQY 310.000 2.083945E-01 1.741676E-01 1.458094E-01 1.226219E-01 7.896682E-02 4.675626E-04 0.000000E+00\nGLYF_RACM2 CS 210.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYF_RACM2 EQY 210.000 4.492523E-01 4.582704E-01 4.575158E-01 4.464855E-01 3.643574E-01 9.914810E-03 6.082142E-05\nGLYF_RACM2 CS 230.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYF_RACM2 EQY 230.000 4.492523E-01 4.582704E-01 4.575158E-01 4.464855E-01 3.643574E-01 9.914810E-03 6.082142E-05\nGLYF_RACM2 CS 250.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYF_RACM2 EQY 250.000 4.492523E-01 4.582704E-01 4.575158E-01 4.464855E-01 3.643574E-01 9.914810E-03 6.082142E-05\nGLYF_RACM2 CS 270.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYF_RACM2 EQY 270.000 4.492523E-01 4.582704E-01 4.575158E-01 4.464855E-01 3.643574E-01 9.914810E-03 6.082142E-05\nGLYF_RACM2 CS 290.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYF_RACM2 EQY 290.000 4.492523E-01 4.582704E-01 4.575158E-01 4.464855E-01 3.643574E-01 9.914810E-03 6.082142E-05\nGLYF_RACM2 CS 310.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYF_RACM2 EQY 310.000 4.492523E-01 4.582704E-01 4.575158E-01 4.464855E-01 3.643574E-01 9.914810E-03 6.082142E-05\nGLYHX_RACM2 CS 210.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYHX_RACM2 EQY 210.000 3.424615E-01 3.676233E-01 3.968463E-01 4.307733E-01 5.451978E-01 6.424549E-02 3.251833E-03\nGLYHX_RACM2 CS 230.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYHX_RACM2 EQY 230.000 3.424615E-01 3.676233E-01 3.968463E-01 4.307733E-01 5.451978E-01 6.424549E-02 3.251833E-03\nGLYHX_RACM2 CS 250.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYHX_RACM2 EQY 250.000 3.424615E-01 3.676233E-01 3.968463E-01 4.307733E-01 5.451978E-01 6.424549E-02 3.251833E-03\nGLYHX_RACM2 CS 270.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYHX_RACM2 EQY 270.000 3.424615E-01 3.676233E-01 3.968463E-01 4.307733E-01 5.451978E-01 6.424549E-02 3.251833E-03\nGLYHX_RACM2 CS 290.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYHX_RACM2 EQY 290.000 3.424615E-01 3.676233E-01 3.968463E-01 4.307733E-01 5.451978E-01 6.424549E-02 3.251833E-03\nGLYHX_RACM2 CS 310.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYHX_RACM2 EQY 310.000 3.424615E-01 3.676233E-01 3.968463E-01 4.307733E-01 5.451978E-01 6.424549E-02 3.251833E-03\nMGLY_RACM2 CS 210.000 4.369065E-20 3.468163E-20 2.431083E-20 1.791723E-20 6.182988E-21 3.703444E-20 7.886681E-21\nMGLY_RACM2 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 6.094060E-01 1.339466E-01\nMGLY_RACM2 CS 230.000 4.369065E-20 3.468163E-20 2.431083E-20 1.791723E-20 6.182988E-21 3.703444E-20 7.886681E-21\nMGLY_RACM2 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 6.094060E-01 1.339466E-01\nMGLY_RACM2 CS 250.000 4.369065E-20 3.468163E-20 2.431083E-20 1.791723E-20 6.182988E-21 3.703444E-20 7.886681E-21\nMGLY_RACM2 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 6.094060E-01 1.339466E-01\nMGLY_RACM2 CS 270.000 4.369065E-20 3.468163E-20 2.431083E-20 1.791723E-20 6.182988E-21 3.703444E-20 7.886681E-21\nMGLY_RACM2 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 6.094060E-01 1.339466E-01\nMGLY_RACM2 CS 290.000 4.369065E-20 3.468163E-20 2.431083E-20 1.791723E-20 6.182988E-21 3.703444E-20 7.886681E-21\nMGLY_RACM2 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 6.094060E-01 1.339466E-01\nMGLY_RACM2 CS 310.000 4.369065E-20 3.468163E-20 2.431083E-20 1.791723E-20 6.182988E-21 3.703444E-20 7.886681E-21\nMGLY_RACM2 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 6.094060E-01 1.339466E-01\nBALD_RACM2 CS 210.000 4.785295E-19 7.446018E-20 7.090561E-20 8.511820E-20 9.190661E-20 1.652288E-20 0.000000E+00\nBALD_RACM2 EQY 210.000 6.000000E-02 6.000000E-02 6.000000E-02 6.000000E-02 6.000000E-02 5.654883E-02 0.000000E+00\nBALD_RACM2 CS 230.000 4.785295E-19 7.446018E-20 7.090561E-20 8.511820E-20 9.190661E-20 1.652288E-20 0.000000E+00\nBALD_RACM2 EQY 230.000 6.000000E-02 6.000000E-02 6.000000E-02 6.000000E-02 6.000000E-02 5.654883E-02 0.000000E+00\nBALD_RACM2 CS 250.000 4.785295E-19 7.446018E-20 7.090561E-20 8.511820E-20 9.190661E-20 1.652288E-20 0.000000E+00\nBALD_RACM2 EQY 250.000 6.000000E-02 6.000000E-02 6.000000E-02 6.000000E-02 6.000000E-02 5.654883E-02 0.000000E+00\nBALD_RACM2 CS 270.000 4.785295E-19 7.446018E-20 7.090561E-20 8.511820E-20 9.190661E-20 1.652288E-20 0.000000E+00\nBALD_RACM2 EQY 270.000 6.000000E-02 6.000000E-02 6.000000E-02 6.000000E-02 6.000000E-02 5.654883E-02 0.000000E+00\nBALD_RACM2 CS 290.000 4.785295E-19 7.446018E-20 7.090561E-20 8.511820E-20 9.190661E-20 1.652288E-20 0.000000E+00\nBALD_RACM2 EQY 290.000 6.000000E-02 6.000000E-02 6.000000E-02 6.000000E-02 6.000000E-02 5.654883E-02 0.000000E+00\nBALD_RACM2 CS 310.000 4.785295E-19 7.446018E-20 7.090561E-20 8.511820E-20 9.190661E-20 1.652288E-20 0.000000E+00\nBALD_RACM2 EQY 310.000 6.000000E-02 6.000000E-02 6.000000E-02 6.000000E-02 6.000000E-02 5.654883E-02 0.000000E+00\nOP1_RACM2 CS 210.000 5.502859E-21 3.521580E-21 2.407395E-21 1.698535E-21 7.264998E-22 4.583933E-23 0.000000E+00\nOP1_RACM2 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nOP1_RACM2 CS 230.000 5.502859E-21 3.521580E-21 2.407395E-21 1.698535E-21 7.264998E-22 4.583933E-23 0.000000E+00\nOP1_RACM2 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nOP1_RACM2 CS 250.000 5.502859E-21 3.521580E-21 2.407395E-21 1.698535E-21 7.264998E-22 4.583933E-23 0.000000E+00\nOP1_RACM2 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nOP1_RACM2 CS 270.000 5.502859E-21 3.521580E-21 2.407395E-21 1.698535E-21 7.264998E-22 4.583933E-23 0.000000E+00\nOP1_RACM2 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nOP1_RACM2 CS 290.000 5.502859E-21 3.521580E-21 2.407395E-21 1.698535E-21 7.264998E-22 4.583933E-23 0.000000E+00\nOP1_RACM2 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nOP1_RACM2 CS 310.000 5.502859E-21 3.521580E-21 2.407395E-21 1.698535E-21 7.264998E-22 4.583933E-23 0.000000E+00\nOP1_RACM2 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nPAA_RACM2 CS 210.000 1.925838E-21 1.009150E-21 5.907156E-22 3.670602E-22 1.041377E-22 0.000000E+00 0.000000E+00\nPAA_RACM2 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nPAA_RACM2 CS 230.000 1.925838E-21 1.009150E-21 5.907156E-22 3.670602E-22 1.041377E-22 0.000000E+00 0.000000E+00\nPAA_RACM2 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nPAA_RACM2 CS 250.000 1.925838E-21 1.009150E-21 5.907156E-22 3.670602E-22 1.041377E-22 0.000000E+00 0.000000E+00\nPAA_RACM2 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nPAA_RACM2 CS 270.000 1.925838E-21 1.009150E-21 5.907156E-22 3.670602E-22 1.041377E-22 0.000000E+00 0.000000E+00\nPAA_RACM2 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nPAA_RACM2 CS 290.000 1.925838E-21 1.009150E-21 5.907156E-22 3.670602E-22 1.041377E-22 0.000000E+00 0.000000E+00\nPAA_RACM2 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nPAA_RACM2 CS 310.000 1.925838E-21 1.009150E-21 5.907156E-22 3.670602E-22 1.041377E-22 0.000000E+00 0.000000E+00\nPAA_RACM2 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nONIT_RACM2 CS 210.000 9.713560E-21 4.546408E-21 2.120818E-21 9.214405E-22 1.152105E-22 1.219897E-24 0.000000E+00\nONIT_RACM2 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nONIT_RACM2 CS 230.000 9.713560E-21 4.546408E-21 2.120818E-21 9.214405E-22 1.152105E-22 1.219897E-24 0.000000E+00\nONIT_RACM2 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nONIT_RACM2 CS 250.000 1.018927E-20 4.819206E-21 2.272045E-21 1.003918E-21 1.288490E-22 1.219897E-24 0.000000E+00\nONIT_RACM2 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nONIT_RACM2 CS 270.000 1.121172E-20 5.414893E-21 2.607618E-21 1.191682E-21 1.611607E-22 1.219897E-24 0.000000E+00\nONIT_RACM2 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nONIT_RACM2 CS 290.000 1.233676E-20 6.084210E-21 2.992754E-21 1.414564E-21 2.015753E-22 1.219897E-24 0.000000E+00\nONIT_RACM2 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nONIT_RACM2 CS 310.000 1.357470E-20 6.836260E-21 3.434773E-21 1.679132E-21 2.521246E-22 1.219897E-24 0.000000E+00\nONIT_RACM2 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nPAN1_RACM2 CS 210.000 1.768018E-21 6.646887E-22 3.009928E-22 1.566195E-22 3.492933E-23 1.494937E-24 0.000000E+00\nPAN1_RACM2 EQY 210.000 8.000000E-01 8.000000E-01 6.922216E-01 6.000000E-01 6.000000E-01 6.000000E-01 0.000000E+00\nPAN1_RACM2 CS 230.000 2.071785E-21 7.907078E-22 3.614192E-22 1.899570E-22 4.384918E-23 1.511154E-24 0.000000E+00\nPAN1_RACM2 EQY 230.000 8.000000E-01 8.000000E-01 6.922216E-01 6.000000E-01 6.000000E-01 6.000000E-01 0.000000E+00\nPAN1_RACM2 CS 250.000 2.427744E-21 9.406189E-22 4.339766E-22 2.303907E-22 5.504689E-23 1.527546E-24 0.000000E+00\nPAN1_RACM2 EQY 250.000 8.000000E-01 8.000000E-01 6.922216E-01 6.000000E-01 6.000000E-01 6.000000E-01 0.000000E+00\nPAN1_RACM2 CS 270.000 2.844861E-21 1.118952E-21 5.211004E-22 2.794310E-22 6.910414E-23 1.544117E-24 0.000000E+00\nPAN1_RACM2 EQY 270.000 8.000000E-01 8.000000E-01 6.922216E-01 6.000000E-01 6.000000E-01 6.000000E-01 0.000000E+00\nPAN1_RACM2 CS 290.000 3.333644E-21 1.331095E-21 6.257149E-22 3.389099E-22 8.675118E-23 1.560867E-24 0.000000E+00\nPAN1_RACM2 EQY 290.000 8.000000E-01 8.000000E-01 6.922216E-01 6.000000E-01 6.000000E-01 6.000000E-01 0.000000E+00\nPAN1_RACM2 CS 310.000 3.906406E-21 1.583459E-21 7.513316E-22 4.110492E-22 1.089047E-22 1.577798E-24 0.000000E+00\nPAN1_RACM2 EQY 310.000 8.000000E-01 8.000000E-01 6.922216E-01 6.000000E-01 6.000000E-01 6.000000E-01 0.000000E+00\nPAN2_RACM2 CS 210.000 1.768018E-21 6.646887E-22 3.009928E-22 1.566195E-22 3.492933E-23 1.494937E-24 0.000000E+00\nPAN2_RACM2 EQY 210.000 2.000000E-01 2.000000E-01 3.077784E-01 4.000000E-01 4.000000E-01 4.000000E-01 0.000000E+00\nPAN2_RACM2 CS 230.000 2.071785E-21 7.907078E-22 3.614192E-22 1.899570E-22 4.384918E-23 1.511154E-24 0.000000E+00\nPAN2_RACM2 EQY 230.000 2.000000E-01 2.000000E-01 3.077784E-01 4.000000E-01 4.000000E-01 4.000000E-01 0.000000E+00\nPAN2_RACM2 CS 250.000 2.427744E-21 9.406189E-22 4.339766E-22 2.303907E-22 5.504689E-23 1.527546E-24 0.000000E+00\nPAN2_RACM2 EQY 250.000 2.000000E-01 2.000000E-01 3.077784E-01 4.000000E-01 4.000000E-01 4.000000E-01 0.000000E+00\nPAN2_RACM2 CS 270.000 2.844861E-21 1.118952E-21 5.211004E-22 2.794310E-22 6.910414E-23 1.544117E-24 0.000000E+00\nPAN2_RACM2 EQY 270.000 2.000000E-01 2.000000E-01 3.077784E-01 4.000000E-01 4.000000E-01 4.000000E-01 0.000000E+00\nPAN2_RACM2 CS 290.000 3.333644E-21 1.331095E-21 6.257149E-22 3.389099E-22 8.675118E-23 1.560867E-24 0.000000E+00\nPAN2_RACM2 EQY 290.000 2.000000E-01 2.000000E-01 3.077784E-01 4.000000E-01 4.000000E-01 4.000000E-01 0.000000E+00\nPAN2_RACM2 CS 310.000 3.906406E-21 1.583459E-21 7.513316E-22 4.110492E-22 1.089047E-22 1.577798E-24 0.000000E+00\nPAN2_RACM2 EQY 310.000 2.000000E-01 2.000000E-01 3.077784E-01 4.000000E-01 4.000000E-01 4.000000E-01 0.000000E+00\nHCHO_RAD_RACM2 CS 210.000 2.909262E-20 3.408478E-20 1.539385E-20 2.593101E-20 1.680637E-20 9.199664E-22 0.000000E+00\nHCHO_RAD_RACM2 EQY 210.000 7.289106E-01 7.594289E-01 7.389182E-01 6.682277E-01 4.671569E-01 2.792120E-01 0.000000E+00\nHCHO_RAD_RACM2 CS 230.000 2.906506E-20 3.408251E-20 1.538521E-20 2.594953E-20 1.681597E-20 9.193698E-22 0.000000E+00\nHCHO_RAD_RACM2 EQY 230.000 7.289106E-01 7.594289E-01 7.389182E-01 6.682277E-01 4.671569E-01 2.792120E-01 0.000000E+00\nHCHO_RAD_RACM2 CS 250.000 2.903750E-20 3.408023E-20 1.537658E-20 2.596804E-20 1.682557E-20 9.187729E-22 0.000000E+00\nHCHO_RAD_RACM2 EQY 250.000 7.289106E-01 7.594289E-01 7.389182E-01 6.682277E-01 4.671569E-01 2.792120E-01 0.000000E+00\nHCHO_RAD_RACM2 CS 270.000 2.900994E-20 3.407795E-20 1.536794E-20 2.598656E-20 1.683517E-20 9.181762E-22 0.000000E+00\nHCHO_RAD_RACM2 EQY 270.000 7.289106E-01 7.594289E-01 7.389182E-01 6.682277E-01 4.671569E-01 2.792120E-01 0.000000E+00\nHCHO_RAD_RACM2 CS 290.000 2.898238E-20 3.407568E-20 1.535930E-20 2.600508E-20 1.684477E-20 9.175795E-22 0.000000E+00\nHCHO_RAD_RACM2 EQY 290.000 7.289106E-01 7.594289E-01 7.389182E-01 6.682277E-01 4.671569E-01 2.792120E-01 0.000000E+00\nHCHO_RAD_RACM2 CS 310.000 2.896860E-20 3.407454E-20 1.535498E-20 2.601433E-20 1.684957E-20 9.172811E-22 0.000000E+00\nHCHO_RAD_RACM2 EQY 310.000 7.289106E-01 7.594289E-01 7.389182E-01 6.682277E-01 4.671569E-01 2.792120E-01 0.000000E+00\nACRO_09 CS 210.000 1.856128E-20 2.787986E-20 3.602616E-20 4.321518E-20 5.371941E-20 1.543856E-20 0.000000E+00\nACRO_09 EQY 210.000 5.269045E-02 3.293790E-02 2.264026E-02 1.595375E-02 6.767500E-03 1.624741E-03 0.000000E+00\nACRO_09 CS 230.000 1.856128E-20 2.787986E-20 3.602616E-20 4.321518E-20 5.371941E-20 1.543856E-20 0.000000E+00\nACRO_09 EQY 230.000 5.269045E-02 3.293790E-02 2.264026E-02 1.595375E-02 6.767500E-03 1.624741E-03 0.000000E+00\nACRO_09 CS 250.000 1.856128E-20 2.787986E-20 3.602616E-20 4.321518E-20 5.371941E-20 1.543856E-20 0.000000E+00\nACRO_09 EQY 250.000 5.269045E-02 3.293790E-02 2.264026E-02 1.595375E-02 6.767500E-03 1.624741E-03 0.000000E+00\nACRO_09 CS 270.000 1.856128E-20 2.787986E-20 3.602616E-20 4.321518E-20 5.371941E-20 1.543856E-20 0.000000E+00\nACRO_09 EQY 270.000 5.269045E-02 3.293790E-02 2.264026E-02 1.595375E-02 6.767500E-03 1.624741E-03 0.000000E+00\nACRO_09 CS 290.000 1.856128E-20 2.787986E-20 3.602616E-20 4.321518E-20 5.371941E-20 1.543856E-20 0.000000E+00\nACRO_09 EQY 290.000 5.269045E-02 3.293790E-02 2.264026E-02 1.595375E-02 6.767500E-03 1.624741E-03 0.000000E+00\nACRO_09 CS 310.000 1.856128E-20 2.787986E-20 3.602616E-20 4.321518E-20 5.371941E-20 1.543856E-20 0.000000E+00\nACRO_09 EQY 310.000 5.269045E-02 3.293790E-02 2.264026E-02 1.595375E-02 6.767500E-03 1.624741E-03 0.000000E+00\n! Ozone Cross-Section for Stratospheric Opacity based on Table 4-5 in\n! Chemical Kinetics and Photochemical Data for Use in Atmospheric\n! Studies Evaluation Number 15. Sander et. al: NASA-JPL 2006 \nNTEMP_STRAT = 6\n! QUANTITY TEMP WBIN( 1) WBIN( 2) WBIN( 3) WBIN( 4) WBIN( 5) WBIN( 6) WBIN( 7)\nO3_STRAT CS 180.000 6.113743E-19 2.263004E-19 8.354117E-20 3.417408E-20 3.688351E-21 4.086261E-23 1.663175E-21\nO3_STRAT CS 260.000 6.434133E-19 2.434104E-19 9.254548E-20 3.928807E-20 4.583227E-21 4.086261E-23 1.663175E-21\nO3_STRAT CS 300.000 6.685868E-19 2.568540E-19 9.962031E-20 4.330621E-20 5.286344E-21 4.086261E-23 1.663175E-21\nO3_STRAT CS 340.000 6.685868E-19 2.568540E-19 9.962031E-20 4.330621E-20 5.286344E-21 4.086261E-23 1.663175E-21\nO3_STRAT CS 380.000 6.685868E-19 2.568540E-19 9.962031E-20 4.330621E-20 5.286344E-21 4.086261E-23 1.663175E-21\nO3_STRAT CS 420.000 6.685868E-19 2.568540E-19 9.962031E-20 4.330621E-20 5.286344E-21 4.086261E-23 1.663175E-21\n" }, { "path": "CCTM/src/MECHS/cracmm1amore_aq/GC_cracmm1amore_aq.nml", "content": "&GC_nml\n\nGC_SPECIES_DATA = \n\n!SPECIES ,MOLWT ,IC ,IC_FAC ,BC ,BC_FAC ,DRYDEP SURR ,FAC ,WET-SCAV SURR ,FAC ,GC2AE SURR ,GC2AQ SURR,TRNS ,DDEP ,WDEP ,CONC ,!RepCmp,ExplicitorLumped,DTXSID,SMILES\n'O3' , 48.0 ,'' ,-1 ,'' ,-1 ,'VD_O3' , 1 ,'O3' , 1 ,'' ,'O3' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Ozone,E,DTXSID0021098,[O-][O+]=O\n'O3P' , 16.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!Ground state oxygen,E,DTXSID00170378,[O]\n'O1D' , 16.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!Excited oxygen,E,DTXSID00170378,[O]\n'H2O2' , 34.0 ,'' ,-1 ,'' ,-1 ,'VD_H2O2' , 1 ,'H2O2' , 1 ,'' ,'H2O2' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Hydrogen peroxide,E,DTXSID2020715,OO\n'HO' , 17.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'OH' ,'HO' ,'' ,'' ,'' ,'Yes',!Hydroxyl radical,E,NA,[OH]\n'NO2' , 46.0 ,'' ,-1 ,'' ,-1 ,'VD_NO2' , 1 ,'NO2' , 1 ,'NO2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Nitrogen dioxide,E,DTXSID7020974,N(=O)[O]\n'NO' , 30.0 ,'' ,-1 ,'' ,-1 ,'VD_NO' , 1 ,'NO' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Nitric oxide,E,DTXSID1020938,[N]=O\n'NO3' , 62.0 ,'' ,-1 ,'' ,-1 ,'VD_NO3' , 1 ,'NO3' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Nitrate radical,E,NA,[O]N(=O)=O\n'HONO' , 47.0 ,'' ,-1 ,'' ,-1 ,'VD_HONO' , 1 ,'HNO2' , 1 ,'HONO' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Nitrous acid,E,DTXSID7064813,N(=O)O\n'HNO3' , 63.0 ,'' ,-1 ,'' ,-1 ,'VD_HNO3' , 1 ,'HNO3' , 1 ,'HNO3' ,'HNO3' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Nitric acid,E,DTXSID5029685,[N+](=O)(O)[O-]\n'HNO4' , 79.0 ,'' ,-1 ,'' ,-1 ,'VD_PNA' , 1 ,'HNO4' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Hydroxy nitrate,E,DTXSID201030501,[N+](=O)([O-])OO\n'HO2' , 33.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!Hydroperoxy,E,DTXSID30894777,O[O-]\n'HCHO' , 30.0 ,'' ,-1 ,'' ,-1 ,'VD_HCHO' , 1 ,'FORMALDEHYDE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Formaldehyde,E,DTXSID7020637,C=O\n'CO' , 28.0 ,'' ,-1 ,'' ,-1 ,'VD_CO' , 1 ,'CO' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Carbon monoxide,E,DTXSID5027273,[C-]#[O+]\n'ACD' , 44.0 ,'' ,-1 ,'' ,-1 ,'VD_ACD' , 1 ,'ACETALDEHYDE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Acetaldehyde,E,DTXSID5039224,CC=O\n'MO2' , 47.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!Methylperoxy,E,DTXSID10944007,CO[O]\n'ALD' , 58.0 ,'' ,-1 ,'' ,-1 ,'VD_ALD' , 1 ,'GENERIC_ALDEHYDE', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Propanal,L,DTXSID2021658,CCC=O\n'ETHP' , 61.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!Ethylperoxy,L,DTXSID90953652,CCO[O]\n'ACT' , 58.0 ,'' ,-1 ,'' ,-1 ,'VD_ACT' , 1 ,'ACETONE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Acetone,E,DTXSID8021482,CC(C)=O\n'ACO3' , 75.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!Acetylperoxy,E,DTXSID40957943,CC(=O)O[O]\n'UALD' , 84.1 ,'' ,-1 ,'' ,-1 ,'VD_UALD' , 1 ,'UALDOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!2-Methylbut-2-enal,L,DTXSID00859414,CC=C(C)C=O\n'KET' , 86.0 ,'' ,-1 ,'' ,-1 ,'VD_KET' , 1 ,'DIETHYLKETONE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Diethylketone,L,DTXSID6021820,CCC(=O)CC\n'MEK' , 72.1 ,'' ,-1 ,'' ,-1 ,'VD_MEK' , 1 ,'MEK' , 1 ,'' ,'' ,'Yes' ,'Yes','Yes' ,'Yes',!Methyl ethyl ketone,E,DTXSID3021516,CCC(C)=O\n'HKET' , 74.0 ,'' ,-1 ,'' ,-1 ,'VD_HKET' , 1 ,'HYDROXY-ACETONE' , 1 ,'' ,'' ,'Yes' ,'Yes','Yes' ,'Yes',!Hydroxy acetone,L,DTXSID8051590,CC(=O)CO\n'MACR' , 70.0 ,'' ,-1 ,'' ,-1 ,'VD_MACR' , 1 ,'METHACROLEIN' , 1 ,'' ,'' ,'Yes' ,'Yes','Yes' ,'Yes',!Methacrolein,L,DTXSID0052540,CC(=C)C=O\n'MACP' ,101.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(2-methylprop-2-enoyl)peroxy,L,NA,CC(=C)C(=O)O[O]\n'XO2' , 1.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!NA,NA,NA,NA\n'MVK' , 70.1 ,'' ,-1 ,'' ,-1 ,'VD_MVK' , 1 ,'MVK' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Methyl vinyl ketone,E,DTXSID3025671,CC(=O)C=C\n'GLY' , 58.0 ,'' ,-1 ,'' ,-1 ,'VD_GLY' , 1 ,'GLYOXAL' , 1 ,'' ,'GLY' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Glyoxal,L,DTXSID5025364,O=CC=O\n'MGLY' , 72.0 ,'' ,-1 ,'' ,-1 ,'VD_MGLY' , 1 ,'METHYL_GLYOXAL' , 1 ,'' ,'MGLY' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Methyl glyoxal,L,DTXSID0021628,CC(=O)C=O\n'DCB1' , 98.0 ,'' ,-1 ,'' ,-1 ,'VD_DCB1' , 1 ,'METHACROLEIN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!2-methylbut-2-enedial,L,NA,O=CC=C(C)C=O\n'DCB2' ,112.1 ,'' ,-1 ,'' ,-1 ,'VD_DCB2' , 1 ,'METHACROLEIN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!2-methyl-4-oxopent-2-enal,L,NA,O=CC(=CC(=O)C)C\n'BALD' ,106.0 ,'' ,-1 ,'' ,-1 ,'VD_BALD' , 1 ,'BENZALDEHYDE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Benzaldehyde,L,DTXSID8039241,O=CC1=CC=CC=C1\n'CHO' ,139.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!4-hydroxy-3;5-dimethylcyclohexa-2;5-dien-1-yloxidanyl,L,NA,[O]C1C=C(C)C(O)C(=C1)C\n'OP1' , 48.0 ,'' ,-1 ,'' ,-1 ,'VD_OP1' , 1 ,'METHYLHYDROPEROX', 1 ,'' ,'MHP' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Methyl hydroperoxide,E,DTXSID10184401,COO\n'OP2' , 62.0 ,'' ,-1 ,'' ,-1 ,'VD_OP2' , 1 ,'METHYLHYDROPEROX', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Ethyl hydroperoxide,L,DTXSID70184402,CCOO\n'OPB' ,186.2 ,'' ,-1 ,'' ,-1 ,'VD_OPB' , 1 ,'METHYLHYDROPEROX', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!2-hydroperoxy-2;6;6-trimethylbicyclo[3.1.1]heptan-3-ol,L,NA,OOC1(C)C(O)CC2CC1C2(C)C\n'OP3' ,176.2 ,'' ,-1 ,'' ,-1 ,'VD_OP3' , 1 ,'METHYLHYDROPEROX', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!5-hydroperoxy-6-hydroxyoctan-3-one,L,NA,CCC(=O)CC(OO)C(O)CC\n'PAA' , 76.0 ,'' ,-1 ,'' ,-1 ,'VD_PAA' , 1 ,'PEROXYACETIC_ACI', 1 ,'' ,'PAA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Peroxyacetic acid,L,DTXSID1025853,CC(=O)OO\n'ONIT' ,119.0 ,'' ,-1 ,'' ,-1 ,'VD_ONIT' , 1 ,'MPAN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Butan-2-yl nitrate,L,DTXSID00871813,CCC(C)O[N+](=O)[O-]\n'PAN' ,121.0 ,'' ,-1 ,'' ,-1 ,'VD_PAN' , 1 ,'PAN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Peroxyacetyl nitrate,L,DTXSID4062301,CC(=O)OON(=O)=O\n'N2O5' ,108.0 ,'' ,-1 ,'' ,-1 ,'VD_N2O5' , 1 ,'N2O5' , 1 ,'N2O5' ,'N2O5' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Dinitrogen pentoxide,E,DTXSID90143672,[N+](=O)([O-])O[N+](=O)[O-]\n'SO2' , 64.0 ,'' ,-1 ,'' ,-1 ,'VD_SO2' , 1 ,'SO2' , 1 ,'' ,'SO2' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Sulfur dioxide,E,DTXSID6029672,O=S=O\n'SULF' , 98.0 ,'' ,-1 ,'' ,-1 ,'VD_SULF' , 1 ,'H2SO4' , 1 ,'SULF' ,'H2SO4' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Sulfuric acid,E,DTXSID5029683,OS(=O)(=O)O\n'SULRXN' , 98.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'SULPRD' ,'' ,'' ,'' ,'' ,'' ,!NA,NA,NA,NA\n'ETH' , 30.1 ,'' ,-1 ,'' ,-1 ,'VD_ETH' , 1 ,'ETHANE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Ethane,E,DTXSID6026377,CC\n'HC3' , 44.1 ,'' ,-1 ,'' ,-1 ,'VD_HC3' , 1 ,'HC3OPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Propane,L,DTXSID5026386,CCC\n'HC3P' , 75.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!Isopropyl peroxy,L,NA,CC(C)O[O]\n'HC5' , 72.1 ,'' ,-1 ,'' ,-1 ,'VD_HC5' , 1 ,'HC5OPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Pentane,L,DTXSID2025846,CCCCC\n'HC5P' ,103.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!Pentan-3-ylperoxy,L,NA,CCC(O[O])CC\n'HC10' ,142.28 ,'' ,-1 ,'' ,-1 ,'VD_HC10' , 1 ,'HC10OPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Decane,L,DTXSID6024913,CCCCCCCCCC\n'HC10P' ,173.27 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!Decan-3-ylperoxy,L,NA,CCCCCCCC(CC)O[O]\n'HC10P2' ,189.27 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(8-hydroxydecan-5-yl)peroxy,L,NA,CCCCC(O[O])CCC(O)CC\n'ETE' , 28.1 ,'' ,-1 ,'' ,-1 ,'VD_ETE' , 1 ,'ETHENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Ethylene,E,DTXSID1026378,C=C\n'ETEP' , 77.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(2-hydroxyethyl)peroxy,E,NA,OCCO[O]\n'OLT' , 42.0 ,'' ,-1 ,'' ,-1 ,'VD_OLT' , 1 ,'OLTOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!1-Propene,L,DTXSID5021205,CC=C\n'OLTP' , 91.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(1-hydroxypropan-2-yl)peroxy,L,NA,CC(CO)O[O]\n'OLI' , 70.1 ,'' ,-1 ,'' ,-1 ,'VD_OLI' , 1 ,'OLIOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!2-Methyl-2-butene,L,DTXSID8027165,CC=C(C)C\n'OLIP' ,119.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(3-hydroxy-2-methylbutan-2-yl)peroxy,L,NA,[O]OC(C)(C)C(C)O\n'ACE' , 26.0 ,'' ,-1 ,'' ,-1 ,'VD_ACE' , 1 ,'ACETYLENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Acetylene,E,DTXSID6026379,C#C\n'ORA1' , 46.0 ,'' ,-1 ,'' ,-1 ,'VD_ORA1' , 1 ,'ORA1OPERA' , 1 ,'' ,'FOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Formic acid,E,DTXSID2024115,OC=O\n'BEN' , 78.11 ,'' ,-1 ,'' ,-1 ,'VD_BEN' , 1 ,'BENOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Benzene,E,DTXSID3039242,C1=CC=CC=C1\n'BENP' ,159.12 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!{8-hydroxy-6;7-dioxabicyclo[3.2.1]oct-3-en-2-yl}peroxy,L,NA,[O]OC1C=CC2OOC1C2O\n'PHEN' ,110.1 ,'' ,-1 ,'' ,-1 ,'VD_PHEN' , 1 ,'PHENOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Resorcinol,L,DTXSID2021238,OC1=CC(O)=CC=C1\n'TOL' ,92.14 ,'' ,-1 ,'' ,-1 ,'VD_TOL' , 1 ,'TOLOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Toluene,E,DTXSID7021360,CC1=CC=CC=C1\n'CSL' ,136.2 ,'' ,-1 ,'' ,-1 ,'VD_CSL' , 1 ,'CSLOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!2-Phenylpropan-2-ol,L,DTXSID3027247,CC(C)(O)C1=CC=CC=C1\n'XYM' ,106.2 ,'' ,-1 ,'' ,-1 ,'VD_XYM' , 1 ,'XYMOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!m-Xylene,L,DTXSID6026298,CC1=CC(C)=CC=C1\n'XYE' ,106.2 ,'' ,-1 ,'' ,-1 ,'VD_XYE' , 1 ,'XYEOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Ethylbenzene,L,DTXSID3020596,CCC1=CC=CC=C1\n'TOLP' ,173.14 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!{8-hydroxy-5-methyl-6;7-dioxabicyclo[3.2.1]oct-3-en-2-yl}peroxy,L,NA,[O]OC1C=CC2(C)OOC1C2O\n'XYMP' ,187.17 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!{8-hydroxy-1;5-dimethyl-6;7-dioxabicyclo[3.2.1]oct-3-en-2-yl}peroxy,L,NA,[O]OC1C=CC2(C)OOC1(C)C2O\n'XYEP' ,187.17 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!{5-ethyl-8-hydroxy-6;7-dioxabicyclo[3.2.1]oct-3-en-2-yl}peroxy,L,NA,[O]OC1C=CC2(CC)OOC1C2O\n'ISO' , 68.1 ,'' ,-1 ,'' ,-1 ,'VD_ISO' , 1 ,'ISOOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Isoprene,E,DTXSID2020761,CC(=C)C=C\n'ISOP' ,117.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(1-hydroxy-3-methylbut-3-en-2-yl)peroxy,L,NA,OCC(O[O])C(C)=C\n'API' ,136.4 ,'' ,-1 ,'' ,-1 ,'VD_API' , 1 ,'APIOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!alpha-pinene,L,DTXSID4026501,CC1=CCC2CC1C2(C)C\n'APIP1' ,185.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!{3-hydroxy-2;6;6-trimethylbicyclo[3.1.1]heptan-2-yl}peroxy,L,NA,[O]OC1(C)C(O)CC2CC1C2(C)C\n'APIP2' ,185.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!{3-hydroxy-2;6;6-trimethylbicyclo[3.1.1]heptan-2-yl}peroxy,L,NA,[O]OC1(C)C(O)CC2CC1C2(C)C\n'APINP1' ,230.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',![2;6;6-trimethyl-3-(nitrooxy)bicyclo[3.1.1]heptan-2-yl]peroxy,L,NA,[O]OC1(C)C(ON(=O)=O)CC2CC1C2(C)C\n'APINP2' ,230.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',![2;6;6-trimethyl-3-(nitrooxy)bicyclo[3.1.1]heptan-2-yl]peroxy,L,NA,[O]OC1(C)C(ON(=O)=O)CC2CC1C2(C)C\n'PINAL' ,168.0 ,'' ,-1 ,'' ,-1 ,'VD_PINAL' , 1 ,'GENERIC_ALDEHYDE', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Pinonaldehyde,L,NA,O=CCC1CC(C(=O)C)C1(C)C\n'PINALP' ,199.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',![3-acetyl-2;2-dimethyl-1-(2-oxoethyl)cyclobutyl]peroxy,L,NA,O=CCC1(O[O])CC(C(=O)C)C1(C)C\n'LIM' ,136.3 ,'' ,-1 ,'' ,-1 ,'VD_LIM' , 1 ,'LIMOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!D-Limonene,L,DTXSID1020778,CC(=C)[C@@H]1CCC(C)=CC1\n'LIMP1' ,185.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',![2-hydroxy-1-methyl-4-(prop-1-en-2-yl)cyclohexyl]peroxy,L,NA,[O]OC1(C)CCC(CC1O)C(=C)C\n'LIMP2' ,185.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',![2-hydroxy-1-methyl-4-(prop-1-en-2-yl)cyclohexyl]peroxy,L,NA,[O]OC1(C)CCC(CC1O)C(=C)C\n'LIMNP1' ,230.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',![1-methyl-2-(nitrooxy)-4-(prop-1-en-2-yl)cyclohexyl]peroxy,L,NA,[O-][N+](=O)OC1CC(CCC1(C)O[O])C(=C)C\n'LIMNP2' ,230.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',![1-methyl-2-(nitrooxy)-4-(prop-1-en-2-yl)cyclohexyl]peroxy,L,NA,[O-][N+](=O)OC1CC(CCC1(C)O[O])C(=C)C\n'LIMAL' ,168.0 ,'' ,-1 ,'' ,-1 ,'VD_LIMAL' , 1 ,'UALDOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Limonaldehyde,L,NA,O=CCC(CCC(=O)C)C(=C)C\n'LIMALP' ,217.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',![1-hydroxy-2-methyl-5-oxo-3-(3-oxobutyl)pentan-2-yl]peroxy,L,NA,O=CCC(CCC(=O)C)C(C)(CO)O[O]\n'HOM' ,250.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'HOM' ,'' ,'' ,'' ,'' ,'Yes',!6;7-dihydroperoxy-3;3;6-trimethyl-tetrahydro-3aH-1;2-benzodioxol-5-ol,L,NA,OC1CC2C(OOC2(C)C)C(OO)C1(C)OO\n'ELHOM' ,402.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'ELHOM' ,'' ,'' ,'' ,'' ,'Yes',!6-hydroperoxy-7-({3-hydroxy-2;6;6-trimethylbicyclo[3.1.1]heptan-2-yl}peroxy)-3;3;6-trimethyl-tetrahydro-3aH-1;2-benzodioxol-5-ol,L,NA,OC1CC2C(OOC2(C)C)C(OOC3(C)C4C(C)(C)C(C4)CC3O)C1(C)OO\n'RCO3' , 89.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!Propanoylperoxy,L,NA,CCC(=O)O[O]\n'ACTP' , 89.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(2-oxopropyl)peroxy,E,NA,CC(=O)CO[O]\n'MEKP' ,103.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(3-oxobutyl)peroxy,L,NA,[O]OCCC(=O)C\n'KETP' ,117.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(3-oxopentan-2-yl)peroxy,L,NA,CCC(C(C)O[O])=O\n'MCP' ,119.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(1-hydroxy-2-methyl-3-oxopropan-2-yl)peroxy,L,NA,OCC(C)(O[O])C=O\n'MVKP' ,119.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(2-hydroxy-3-oxobutyl)peroxy,L,NA,CC(=O)C(O)CO[O]\n'UALP' ,133.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(3-hydroxy-3-methyl-4-oxobutan-2-yl)peroxy,L,NA,CC(O[O])C(C)(O)C=O\n'DCB3' , 84.0 ,'' ,-1 ,'' ,-1 ,'VD_DCB3' , 1 ,'METHACROLEIN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!but-2-enedial,L,NA,O=CC=CC=O\n'BALP' ,137.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!benzoylperoxy,L,NA,O=C(O[O])C1=CC=CC=C1\n'ADDC' ,125.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!3-methyl-5-oxocyclohex-3-en-1-yloxidanyl,L,NA,CC1=CC(O)=CC([O])C1\n'MCT' ,124.1 ,'' ,-1 ,'' ,-1 ,'VD_MCT' , 1 ,'MCTOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!4-Methylcatechol,L,DTXSID5020861,CC1=CC(O)=C(O)C=C1\n'MCTO' ,123.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!3-hydroxy-5-methylphenyloxidanyl,L,NA,CC1=CC(O)=CC([O])=C1\n'MOH' , 32.0 ,'' ,-1 ,'' ,-1 ,'VD_MOH' , 1 ,'METHANOL' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Methanol,E,DTXSID2021731,CO\n'EOH' , 46.1 ,'' ,-1 ,'' ,-1 ,'VD_EOH' , 1 ,'ETHANOL' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Ethanol,E,DTXSID9020584,CCO\n'ROH' , 60.0 ,'' ,-1 ,'' ,-1 ,'VD_ROH' , 1 ,'N-PROPANOL' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Propanol,L,DTXSID2021739,CCCO\n'ETEG' , 62.1 ,'' ,-1 ,'' ,-1 ,'VD_ETEG' , 1 ,'ETHYLENEGLYCOL' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Ethylene glycol,E,DTXSID8020597,OCCO\n'ISHP' ,118.0 ,'' ,-1 ,'' ,-1 ,'VD_ISHP' , 1 ,'METHACROLEIN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!2-hydroperoxy-2-methylbut-3-en-1-ol,L,NA,C=CC(OO)(CO)C\n'IEPOX' ,118.1 ,'' ,-1 ,'' ,-1 ,'VD_IEPOX' , 1 ,'HYDROXY_PEROXIDE', 1 ,'IEPOX' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Isoprene epoxydiol,E,NA,OCC1OC1(C)CO\n'IEPOXP' ,118.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!NA,NA,NA,NA\n'MAHP' ,102.0 ,'' ,-1 ,'' ,-1 ,'VD_MAHP' , 1 ,'METHACROLEIN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!2-methylprop-2-eneperoxoic acid,L,NA,C=C(C)C(OO)=O\n'ORA2' , 60.2 ,'' ,-1 ,'' ,-1 ,'VD_ORA2' , 1 ,'ORA2OPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Acetic acid,L,DTXSID5024394,CC(O)=O\n'ORAP' , 91.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(carboxymethyl)peroxy,L,NA,[O]OCC(=O)O\n'PPN' ,135.0 ,'' ,-1 ,'' ,-1 ,'VD_PPN' , 1 ,'PPN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Peroxypopionyl nitrate,E,DTXSID90206675,CCC(=O)OO[N+](=O)[O-]\n'MPAN' ,147.1 ,'' ,-1 ,'' ,-1 ,'VD_MPAN' , 1 ,'MPAN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Peroxymethacryloyl nitrate,L,DTXSID10236878,O=N(=O)OOC(=O)C(=C)C\n'NALD' ,105.0 ,'' ,-1 ,'' ,-1 ,'VD_NALD' , 1 ,'2NITRO_1BUTNL' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!1-(nitrooxy)acetaldehyde,E,NA,O=CCON(=O)=O\n'INO2' ,162.1 ,'' ,-1 ,'' ,-1 ,'' , 1 ,'' , 1 ,'' ,'' ,'' ,'' ,'' ,'Yes',![(2E)-3-methyl-4-(nitrooxy)but-2-en-1-yl]peroxy,L,NA,C/C(=C\\CO[O])CON(=O)=O\n'ISON' ,147.0 ,'' ,-1 ,'' ,-1 ,'VD_ISON' , 1 ,'2NITRO_1BUTNL' , 1 ,'ISON' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!2-methyl-2-(nitrooxy)but-3-en-1-ol,L,NA,OCC(C)(C=C)ON(=O)=O \n'IPN' ,163.0 ,'' ,-1 ,'' ,-1 ,'VD_IPN' , 1 ,'IPNOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!(2E)-3-methyl-4-(nitrooxy)but-2-ene-1-peroxol,L,NA,C/C(=C\\COO)CON(=O)=O\n'IPC' ,116.1 ,'' ,-1 ,'' ,-1 ,'VD_IPC' , 1 ,'IPCOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!(2Z)-4-hydroperoxy-2-methylbut-2-enal,L,NA,C/C(C=O)=C/COO\n'TRPN' ,215.0 ,'' ,-1 ,'' ,-1 ,'VD_TRPN' , 1 ,'2NITRO_1BUTNL' , 1 ,'TRPN' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!3-hydroxy-2;6;6-trimethylbicyclo[3.1.1]heptan-2-yl nitrate,L,NA,O=N(=O)OC1(C)C(O)CC2CC1C2(C)C\n'MCTP' ,172.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!C7H8O5 Biradical,L,NA,CC(/C=C\\[C](O[O])O)=C/C(O)=O\n'OLNN' ,136.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',![1-(nitrooxy)propan-2-yl]peroxy,L,NA,CC(O[O])CO[N+]([O-])=O\n'OLND' ,136.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',![1-(nitrooxy)propan-2-yl]peroxy,L,NA,CC(O[O])CO[N+]([O-])=O\n'ADCN' ,155.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!4-oxocyclohex-2-en-1-yl nitrate,L,NA,OC1=C[C]C(O[N+]([O-])=O)C=C1\n'BAL1' ,123.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(4-methylphenyl)peroxy,L, NA, [O]OC1=CC=C(C)C=C1\n'BAL2' ,109.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!phenylperoxy,L, NA, [O]OC1=CC=CC=C1\n'ACRO' , 56.1 ,'' ,-1 ,'' ,-1 ,'VD_ACRO' , 1 ,'ACROOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Acrolein,E,DTXSID5020023,C=CC=O\n'BDE13' , 54.1 ,'' ,-1 ,'' ,-1 ,'VD_BDE13' , 1 ,'BDE13OPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!1;3-Butadiene,E,DTXSID3020203,C=CC=C\n'BDE13P' ,103.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' , 1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(1-hydroxybut-3-en-2-yl)peroxy,L,NA,C=CC(O[O])CO\n'PROG' , 76.1 ,'' ,-1 ,'' ,-1 ,'VD_PROG' , 1 ,'PROGOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!1;2-Propylene glycol,E,DTXSID0021206,CC(O)CO\n'FURAN' , 96.1 ,'' ,-1 ,'' ,-1 ,'VD_FURAN' , 1 ,'FURANOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Furfural,L,DTXSID1020647,O=CC1=CC=CO1\n'FURANO2' ,145.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' , 1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(2-formyl-5-hydroxy-5H-furan-2-yl)peroxy,L,NA,OC1C=CC(O1)(O[O])(C=O)\n'FURANONE' ,100.1 ,'' ,-1 ,'' ,-1 ,'VD_FURANONE' , 1 ,'FURANONEOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!2-hydroxy-2H-furan-5-one,L,DTXSID10930763,C1=CC(=O)OC1O\n'VROCIOXY' ,247.0 ,'' ,-1 ,'' ,-1 ,'VD_VROCIOXY' , 1 ,'ROCIOXYOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Decamethylcyclopentasiloxane,L,DTXSID1027184,C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1\n'SLOWROC' , 75.4 ,'' ,-1 ,'' ,-1 ,'VD_SLOWROC' , 1 ,'SLOWROCOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Hydrogen cyanide,L,DTXSID9024148,C#N\n'SESQ' ,204.4 ,'' ,-1 ,'' ,-1 ,'VD_SESQ' , 1 ,'SESQOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!b-caryophyllene,L,DTXSID8024739,C/C1=C/CCC(=C)C2CC(C)(C)C2CC\\1\n'SESQRO2' ,253.4 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!{5-hydroxy-4;11;11-trimethyl-8-methylidenebicyclo[7.2.0]undecan-4-yl}peroxy,L,NA,[O]OC1(C)CCC2C(CC2(C)C)C(=C)CCC1O\n'SESQNRO2' ,298.4 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',![4;11;11-trimethyl-8-methylidene-5-(nitrooxy)bicyclo[7.2.0]undecan-4-yl]peroxy,L,NA,[O]OC1(C)CCC2C(CC2(C)C)C(=C)CCC1O[N+](=O)[O-]\n'NAPH' ,128.17 ,'' ,-1 ,'' ,-1 ,'VD_NAPH' , 1 ,'NAPHOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Naphthalene,L,DTXSID8020913,C1=CC2=CC=CC=C2C=C1\n'NAPHP' ,209.17 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!{8-hydroxy-10;11-dioxatricyclo[7.2.1.0^{2;7}]dodeca-2;4;6-trien-12-yl}peroxy,L,NA,C12=CC=CC=C1C3OOC(C3O[O])C2(O)\n'VROCP5ARO' ,190.33 ,'' ,-1 ,'' ,-1 ,'VD_VROCP5ARO' , 1 ,'VROCP5AROOPERA' , 1 ,'VROCP5ARO' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Benzene; octyl-,L, DTXSID2062240, CCCCCCCCC1=CC=CC=C1\n'VROCP6ARO' ,176.30 ,'' ,-1 ,'' ,-1 ,'VD_VROCP6ARO' , 1 ,'VROCP6AROOPERA' , 1 ,'VROCP6ARO' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!1-Hexyl-4-methylbenzene,L, DTXSID30333914, CCCCCCC1=CC=C(C)C=C1\n'VROCP5AROP' ,271.33 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' , -1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!{8-hydroxy-5-octyl-6;7-dioxabicyclo[3.2.1]oct-3-en-2-yl}peroxy,L,NA,CCCCCCCCC1(OO2)C=CC(O[O])C2C1O\n'VROCP6AROP' ,257.30 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' , -1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!{2-hexyl-8-hydroxy-5-methyl-6;7-dioxabicyclo[3.2.1]oct-3-en-2-yl}peroxy,L, NA, OC1C2C(CCCCCC)(O[O])C=CC1(C)OO2\n'VROCN2ALK' ,422.83 ,'' ,-1 ,'' ,-1 ,'VD_VROCN2ALK' , 1 ,'VROCN2ALKOPERA' , 1 ,'VROCN2ALK' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Triacontane,L, DTXSID0060935, CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC\n'VROCN1ALK' ,408.80 ,'' ,-1 ,'' ,-1 ,'VD_VROCN1ALK' , 1 ,'VROCN1ALKOPERA' , 1 ,'VROCN1ALK' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!5;9-Dimethylheptacosane,L, DTXSID40823452, CCCCCCCCCCCCCCCCCCC(C)CCCC(C)CCCC\n'VROCP0ALK' ,394.77 ,'' ,-1 ,'' ,-1 ,'VD_VROCP0ALK' , 1 ,'VROCP0ALKOPERA' , 1 ,'VROCP0ALK' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!11-Methylheptacosane,L, DTXSID40333900, CCCCCCCCCCCCCCCCC(C)CCCCCCCCCC\n'VROCP1ALK' ,380.75 ,'' ,-1 ,'' ,-1 ,'VD_VROCP1ALK' , 1 ,'VROCP1ALKOPERA' , 1 ,'VROCP1ALK' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Heptacosane,L, DTXSID6058637, CCCCCCCCCCCCCCCCCCCCCCCCCCC\n'VROCP2ALK' ,338.66 ,'' ,-1 ,'' ,-1 ,'VD_VROCP2ALK' , 1 ,'VROCP2ALKOPERA' , 1 ,'VROCP2ALK' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Tetracosane,L, DTXSID8060955, CCCCCCCCCCCCCCCCCCCCCCCC\n'VROCP3ALK' ,296.58 ,'' ,-1 ,'' ,-1 ,'VD_VROCP3ALK' , 1 ,'VROCP3ALKOPERA' , 1 ,'VROCP3ALK' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Heneicosane,L, DTXSID9047097, CCCCCCCCCCCCCCCCCCCCC\n'VROCP4ALK' ,254.50 ,'' ,-1 ,'' ,-1 ,'VD_VROCP4ALK' , 1 ,'VROCP4ALKOPERA' , 1 ,'VROCP4ALK' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Octadecane,L, DTXSID9047172, CCCCCCCCCCCCCCCCCC\n'VROCP5ALK' ,198.39 ,'' ,-1 ,'' ,-1 ,'VD_VROCP5ALK' , 1 ,'VROCP5ALKOPERA' , 1 ,'VROCP5ALK' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Tetradecane,L, DTXSID1027267, CCCCCCCCCCCCCC\n'VROCP6ALK' ,184.37 ,'' ,-1 ,'' ,-1 ,'VD_VROCP6ALK' , 1 ,'VROCP6ALKOPERA' , 1 ,'VROCP6ALK' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Tridecane,L, DTXSID6027266, CCCCCCCCCCCCC\n'VROCP1ALKP' ,411.74 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' , -1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!heptacosan-3-ylperoxy,L,NA,CCCCCCCCCCCCCCCCCCCCCCCCC(CC)O[O]\n'VROCP2ALKP' ,369.65 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' , -1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!tetracosan-3-ylperoxy,L,NA,CCCCCCCCCCCCCCCCCCCCCC(CC)O[O]\n'VROCP3ALKP' ,327.57 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' , -1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!henicosan-3-ylperoxy,L,NA,CCCCCCCCCCCCCCCCCCC(CC)O[O]\n'VROCP4ALKP' ,285.49 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' , -1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!octadecan-3-ylperoxy,L,NA,CCCCCCCCCCCCCCCC(CC)O[O]\n'VROCP5ALKP' ,229.38 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' , -1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!tetradecan-3-ylperoxy,L,NA,CCCCCCCCCCCC(CC)O[O]\n'VROCP6ALKP' ,215.36 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' , -1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!tridecan-3-ylperoxy,L,NA,CCCCCCCCCCC(CC)O[O]\n'VROCP1ALKP2' ,427.73 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' , -1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(3-hydroxyheptacosan-6-yl)peroxy,L,NA,CCCCCCCCCCCCCCCCCCCCCC(O[O])CCC(O)CC\n'VROCP2ALKP2' ,385.65 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' , -1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(3-hydroxytetracosan-6-yl)peroxy,L,NA,CCCCCCCCCCCCCCCCCCC(O[O])CCC(O)CC\n'VROCP3ALKP2' ,343.57 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' , -1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(3-hydroxyhenicosan-6-yl)peroxy,L,NA,CCCCCCCCCCCCCCCC(O[O])CCC(O)CC\n'VROCP4ALKP2' ,301.49 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' , -1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(3-hydroxyoctadecan-6-yl)peroxy,L,NA,CCCCCCCCCCCCC(O[O])CCC(O)CC\n'VROCP5ALKP2' ,245.38 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' , -1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(3-hydroxytetradecan-6-yl)peroxy,L,NA,CCCCCCCCC(O[O])CCC(O)CC\n'VROCP6ALKP2' ,231.36 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' , -1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(3-hydroxytridecan-6-yl)peroxy,L,NA,CCCCCCCC(O[O])CCC(O)CC\n'VROCN2OXY2' ,282.4 ,'' ,-1 ,'' ,-1 ,'VD_VROCN2OXY2' , 1 ,'VROCN2OXY2OPERA', 1 ,'VROCN2OXY2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!12(S)-hydroxy-16-Heptadecynoic Acid,L,NA,C#CCCC[C@H](CCCCCCCCCCC(=O)O)O\n'VROCN2OXY4' ,232.3 ,'' ,-1 ,'' ,-1 ,'VD_VROCN2OXY4' , 1 ,'VROCN2OXY4OPERA', 1 ,'VROCN2OXY4' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!2-HYDROXYUNDECANEDIOIC ACID,L,DTXSID90726525,C(CCCCC(=O)O)CCCC(C(=O)O)O\n'VROCN2OXY8' ,194.2 ,'' ,-1 ,'' ,-1 ,'VD_VROCN2OXY8' , 1 ,'VROCN2OXY8OPERA', 1 ,'VROCN2OXY8' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!3;4;5;6;7-Pentahydroxyheptan-2-one,L,DTXSID80956455,CC(=O)C(C(C(C(CO)O)O)O)O\n'VROCN1OXY1' ,312.5 ,'' ,-1 ,'' ,-1 ,'VD_VROCN1OXY1' , 1 ,'VROCN1OXY1OPERA', 1 ,'VROCN1OXY1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Arachidic Acid,L,DTXSID1060134,CCCCCCCCCCCCCCCCCCCC(=O)O\n'VROCN1OXY3' ,230.3 ,'' ,-1 ,'' ,-1 ,'VD_VROCN1OXY3' , 1 ,'VROCN1OXY3OPERA', 1 ,'VROCN1OXY3' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!DODECANEDIOIC ACID,L,DTXSID3027297,C(CCCCCC(=O)O)CCCCC(=O)O\n'VROCN1OXY6' ,190.2 ,'' ,-1 ,'' ,-1 ,'VD_VROCN1OXY6' , 1 ,'VROCN1OXY6OPERA', 1 ,'VROCN1OXY6' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!2-hydroxy-octanedioic acid,L,NA,C(CCC(C(=O)O)O)CCC(=O)O\n'VROCP0OXY2' ,242.4 ,'' ,-1 ,'' ,-1 ,'VD_VROCP0OXY2' , 1 ,'VROCP0OXY2OPERA', 1 ,'VROCP0OXY2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!3-oxotetradecanoic acid,L,DTXSID10332384,CCCCCCCCCCCC(=O)CC(=O)O\n'VROCP0OXY4' ,202.3 ,'' ,-1 ,'' ,-1 ,'VD_VROCP0OXY4' , 1 ,'VROCP0OXY4OPERA', 1 ,'VROCP0OXY4' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!DECANEDIOIC ACID,L,DTXSID7026867,C(CCCCC(=O)O)CCCC(=O)O\n'VROCP1OXY1' ,270.5 ,'' ,-1 ,'' ,-1 ,'VD_VROCP1OXY1' , 1 ,'VROCP1OXY1OPERA', 1 ,'VROCP1OXY1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!HEPTADECANOIC ACID,L,DTXSID5021596,CCCCCCCCCCCCCCCCC(=O)O\n'VROCP1OXY3' ,202.3 ,'' ,-1 ,'' ,-1 ,'VD_VROCP1OXY3' , 1 ,'VROCP1OXY3OPERA', 1 ,'VROCP1OXY3' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!11-hydroxyundecanoic acid,L,DTXSID40190136,C(CCCCCO)CCCCC(=O)O\n'VROCP2OXY2' ,200.3 ,'' ,-1 ,'' ,-1 ,'VD_VROCP2OXY2' , 1 ,'VROCP2OXY2OPERA', 1 ,'VROCP2OXY2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Dodecanoic Acid,L,DTXSID5021590,CCCCCCCCCCCC(=O)O\n'VROCP3OXY2' ,186.3 ,'' ,-1 ,'' ,-1 ,'VD_VROCP3OXY2' , 1 ,'VROCP3OXY2OPERA', 1 ,'VROCP3OXY2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!11-hydroxyundecanal,L,NA,C(CCCCCO)CCCCC=O\n'VROCP4OXY2' ,158.2 ,'' ,-1 ,'' ,-1 ,'VD_VROCP4OXY2' , 1 ,'VROCP4OXY2OPERA', 1 ,'VROCP4OXY2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!2-Ethylheptanoic Acid,L,DTXSID40880929,CCCCCC(CC)C(=O)O\n'VROCP5OXY1' ,170.3 ,'' ,-1 ,'' ,-1 ,'VD_VROCP5OXY1' , 1 ,'VROCP5OXY1OPERA', 1 ,'VROCP5OXY1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Undecanal,L,DTXSID4021688,CCCCCCCCCCC=O\n'VROCP6OXY1' ,142.2 ,'' ,-1 ,'' ,-1 ,'VD_VROCP6OXY1' , 1 ,'VROCP6OXY1OPERA', 1 ,'VROCP6OXY1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Nonanal,L,DTXSID9021639,CCCCCCCCC=O\n/\n" }, { "path": "CCTM/src/MECHS/cracmm1amore_aq/RXNS_DATA_MODULE.F90", "content": " MODULE RXNS_DATA\n\n\n IMPLICIT NONE\n\n\n\n! --------- Photochemical Mechanism Reactions, Rates, etc. DAT ---------\n! Source file: /home/hwo/CCTM_git_repository/UTIL/chemmech/input/cracmm1amore_aq__delta_atoms/mech_cracmm1amore_aq.def\n! for Mechanism Name: CRACMM1AMORE_AQ \n\n! This file is used to create mechanism data and functions\n\n! The following are reserved symbols declared in this file:\n! MECHNAME = Mechanism name\n! N_GAS_CHEM_SPC = Total number of gas species in chemical mechanism\n! NUMB_MECH_SPC = Total number of species in chemical mechanism\n! N_ACT_SP = Number of active (determined by ODE solver) species in mechanism\n! GAS_CHEM_SPC = Names of gas species in chemical mechanism\n! CHEMISTRY_SPC = Names of species in chemical mechanism\n! CGRID_INDEX = CGRID Index of species in chemical mechanism\n! SPECIES_TYPE = Group or type of species \n! SPECIES_MOLWT = Molecular Weight of species (gm/mole)\n! NRXNS = Number of mechanism reactions\n! ZERO_REACT_REACTIONS = number zero reactant reactions\n! ONE_REACT_REACTIONS = number one reactant reactions\n! TWO_REACT_REACTIONS = number second order reactions\n! THREE_REACT_REACTIONS = number three reactant reactions\n! NSUNLIGHT_RXNS = Number of mechanism reactions requiring sunlight\n! NTHERMAL_RXNS = Number of mechanism reactions not requiring sunlight\n! KUNITS = Units of mechanism reactions\n! KTYPE = Reaction type\n! IRXBITS = Bit test mask vector for selected reactions\n! IORDER = Order of the reaction\n! NTERMS_JACOB = Maximum number of nonzero terms in day/night Jacobian\n! MSTEPS_JACOB = Maximum number of LU Decomposition steps to solve each Jacobian\n! KTN1 = Number of type 1 reactions\n! KRX1 = Reactions list pointer to type 1 reactions\n! KTN2 = Number of type 2 reactions\n! KRX2 = Reactions list pointer to type 2 reactions\n! KTN3 = Number of type 3 reactions\n! KRX3 = Reactions list pointer to type 3 reactions\n! KTN4 = Number of type 4 reactions\n! KRX4 = Reactions list pointer to type 4 reactions\n! KTN5 = Number of type 5 reactions\n! KRX5 = Reactions list pointer to type 5 reactions\n! KTN6 = Number of type 6 reactions\n! KRX6 = Reactions list pointer to type 6 reactions\n! KTN7 = Number of type 7 reactions\n! KRX7 = Reactions list pointer to type 7 reactions\n\n! NWM = Number of air 3-body reactions\n! NRXWM = Reactions list pointer to air 3-body reactions\n! ATM_AIR = air 3-body reactions concentration\n! NWW = Number of H2O 3-body reactions\n! NRXWW = Reactions list pointer to H2O 3-body reactions\n! NWO2 = Number of reactions with O2\n! NRXWO2 = Reactions list pointer to O2 reactions\n! ATM_O2 = Oxygen reactions concentration\n! NWN2 = Number of N2 3-body reactions\n! NRXWN2 = Reactions list pointer to N2 3-body reactions\n! ATM_N2 = Nitrogen 3-body reactions concentration\n! NWCH4 = Number of reactions with CH4\n! NRXWCH4 = Reactions list pointer to CH4 reactions\n! ATM_CH4 = Methane reactions concentration\n! NWH2 = Number of reactions with H2\n! NRXWH2 = Reactions list pointer to H2 reactions\n! ATM_H2 = Hydrogen reactions concentration\n\n! MXPRD = Maximum number of mechanism reaction products\n! IRR = Reactions list pointer to reactants and products\n! RTDAT = Kinetic reaction rates expressions components\n! NFALLOFFF = Number of falloff reactions\n! IRRFALL = Reactions list pointer to falloff reactions\n! RFDAT = Falloff reaction rates expressions components\n! SC = Stoichiometric coefficients\n! NREACT = Number of reactants in each mechanism reaction\n! NPRDCT = Number of products in each mechanism reaction\n! RXLABEL = Character label list for mechanism reactions\n! NMPHOT = Number of mechanism photolytic reactions\n! NPHOTAB = Number of photolytic reactions tables\n! IPH = Reactions list pointer to photolytic reactions and tables\n! MHETERO = Number of mechanism heteorogenous reactions\n! NHETERO = Number of unique heteorogenous rate constants\n! IHETERO = Reactions list pointer to heteorogenous reactions and tables\n\n CHARACTER( 32 ), PARAMETER :: MECHNAME = 'CRACMM1AMORE_AQ'\n\n INTEGER, PARAMETER :: N_GAS_CHEM_SPC = 176\n INTEGER, PARAMETER :: NUMB_MECH_SPC = 181\n\n CHARACTER( 16 ) :: GAS_CHEM_SPC( N_GAS_CHEM_SPC )\n CHARACTER( 16 ) :: CHEMISTRY_SPC( NUMB_MECH_SPC )\n CHARACTER( 16 ) :: SPECIES_TYPE( NUMB_MECH_SPC )\n INTEGER :: CGRID_INDEX ( NUMB_MECH_SPC )\n INTEGER :: TYPE_INDEX ( NUMB_MECH_SPC )\n REAL( 8 ) :: SPECIES_MOLWT( NUMB_MECH_SPC )\n LOGICAL :: CONVERT_CONC( NUMB_MECH_SPC )\n\n! The below character and integer arrays list the model species names used in the \n! chemical mechanism. The gas species and their order should agree with \n! the GC_SPC array for the gas phase chemistry to work correctly. \n! If present, the CHEMISTRY_SPC names and species type should agree with the CGRID_SPCS module\n\n DATA GAS_CHEM_SPC( 1 ) / 'O3 ' /\n DATA GAS_CHEM_SPC( 2 ) / 'O3P ' /\n DATA GAS_CHEM_SPC( 3 ) / 'O1D ' /\n DATA GAS_CHEM_SPC( 4 ) / 'H2O2 ' /\n DATA GAS_CHEM_SPC( 5 ) / 'HO ' /\n DATA GAS_CHEM_SPC( 6 ) / 'NO2 ' /\n DATA GAS_CHEM_SPC( 7 ) / 'NO ' /\n DATA GAS_CHEM_SPC( 8 ) / 'NO3 ' /\n DATA GAS_CHEM_SPC( 9 ) / 'HONO ' /\n DATA GAS_CHEM_SPC( 10 ) / 'HNO3 ' /\n DATA GAS_CHEM_SPC( 11 ) / 'HNO4 ' /\n DATA GAS_CHEM_SPC( 12 ) / 'HO2 ' /\n DATA GAS_CHEM_SPC( 13 ) / 'HCHO ' /\n DATA GAS_CHEM_SPC( 14 ) / 'CO ' /\n DATA GAS_CHEM_SPC( 15 ) / 'ACD ' /\n DATA GAS_CHEM_SPC( 16 ) / 'MO2 ' /\n DATA GAS_CHEM_SPC( 17 ) / 'ALD ' /\n DATA GAS_CHEM_SPC( 18 ) / 'ETHP ' /\n DATA GAS_CHEM_SPC( 19 ) / 'ACT ' /\n DATA GAS_CHEM_SPC( 20 ) / 'ACO3 ' /\n DATA GAS_CHEM_SPC( 21 ) / 'UALD ' /\n DATA GAS_CHEM_SPC( 22 ) / 'KET ' /\n DATA GAS_CHEM_SPC( 23 ) / 'PINAL ' /\n DATA GAS_CHEM_SPC( 24 ) / 'HC10P ' /\n DATA GAS_CHEM_SPC( 25 ) / 'LIMAL ' /\n DATA GAS_CHEM_SPC( 26 ) / 'MEK ' /\n DATA GAS_CHEM_SPC( 27 ) / 'HKET ' /\n DATA GAS_CHEM_SPC( 28 ) / 'MACR ' /\n DATA GAS_CHEM_SPC( 29 ) / 'MACP ' /\n DATA GAS_CHEM_SPC( 30 ) / 'XO2 ' /\n DATA GAS_CHEM_SPC( 31 ) / 'MVK ' /\n DATA GAS_CHEM_SPC( 32 ) / 'GLY ' /\n DATA GAS_CHEM_SPC( 33 ) / 'MGLY ' /\n DATA GAS_CHEM_SPC( 34 ) / 'DCB1 ' /\n DATA GAS_CHEM_SPC( 35 ) / 'DCB2 ' /\n DATA GAS_CHEM_SPC( 36 ) / 'BALD ' /\n DATA GAS_CHEM_SPC( 37 ) / 'CHO ' /\n DATA GAS_CHEM_SPC( 38 ) / 'OP1 ' /\n DATA GAS_CHEM_SPC( 39 ) / 'OP2 ' /\n DATA GAS_CHEM_SPC( 40 ) / 'OPB ' /\n DATA GAS_CHEM_SPC( 41 ) / 'OP3 ' /\n DATA GAS_CHEM_SPC( 42 ) / 'PAA ' /\n DATA GAS_CHEM_SPC( 43 ) / 'ONIT ' /\n DATA GAS_CHEM_SPC( 44 ) / 'PAN ' /\n DATA GAS_CHEM_SPC( 45 ) / 'N2O5 ' /\n DATA GAS_CHEM_SPC( 46 ) / 'SO2 ' /\n DATA GAS_CHEM_SPC( 47 ) / 'SULF ' /\n DATA GAS_CHEM_SPC( 48 ) / 'SULRXN ' /\n DATA GAS_CHEM_SPC( 49 ) / 'ETH ' /\n DATA GAS_CHEM_SPC( 50 ) / 'HC3 ' /\n DATA GAS_CHEM_SPC( 51 ) / 'HC3P ' /\n DATA GAS_CHEM_SPC( 52 ) / 'HC5 ' /\n DATA GAS_CHEM_SPC( 53 ) / 'HC5P ' /\n DATA GAS_CHEM_SPC( 54 ) / 'ETE ' /\n DATA GAS_CHEM_SPC( 55 ) / 'ETEP ' /\n DATA GAS_CHEM_SPC( 56 ) / 'OLT ' /\n DATA GAS_CHEM_SPC( 57 ) / 'OLTP ' /\n DATA GAS_CHEM_SPC( 58 ) / 'OLI ' /\n DATA GAS_CHEM_SPC( 59 ) / 'OLIP ' /\n DATA GAS_CHEM_SPC( 60 ) / 'ACE ' /\n DATA GAS_CHEM_SPC( 61 ) / 'ORA1 ' /\n DATA GAS_CHEM_SPC( 62 ) / 'BEN ' /\n DATA GAS_CHEM_SPC( 63 ) / 'BENP ' /\n DATA GAS_CHEM_SPC( 64 ) / 'PHEN ' /\n DATA GAS_CHEM_SPC( 65 ) / 'TOL ' /\n DATA GAS_CHEM_SPC( 66 ) / 'TOLP ' /\n DATA GAS_CHEM_SPC( 67 ) / 'CSL ' /\n DATA GAS_CHEM_SPC( 68 ) / 'XYM ' /\n DATA GAS_CHEM_SPC( 69 ) / 'XYMP ' /\n DATA GAS_CHEM_SPC( 70 ) / 'XYE ' /\n DATA GAS_CHEM_SPC( 71 ) / 'XYEP ' /\n DATA GAS_CHEM_SPC( 72 ) / 'ISO ' /\n DATA GAS_CHEM_SPC( 73 ) / 'INO2 ' /\n DATA GAS_CHEM_SPC( 74 ) / 'NALD ' /\n DATA GAS_CHEM_SPC( 75 ) / 'ISOP ' /\n DATA GAS_CHEM_SPC( 76 ) / 'ISHP ' /\n DATA GAS_CHEM_SPC( 77 ) / 'ISON ' /\n DATA GAS_CHEM_SPC( 78 ) / 'IPN ' /\n DATA GAS_CHEM_SPC( 79 ) / 'IEPOX ' /\n DATA GAS_CHEM_SPC( 80 ) / 'IPC ' /\n DATA GAS_CHEM_SPC( 81 ) / 'ROH ' /\n DATA GAS_CHEM_SPC( 82 ) / 'API ' /\n DATA GAS_CHEM_SPC( 83 ) / 'APIP1 ' /\n DATA GAS_CHEM_SPC( 84 ) / 'APIP2 ' /\n DATA GAS_CHEM_SPC( 85 ) / 'LIM ' /\n DATA GAS_CHEM_SPC( 86 ) / 'LIMP1 ' /\n DATA GAS_CHEM_SPC( 87 ) / 'LIMP2 ' /\n DATA GAS_CHEM_SPC( 88 ) / 'PINALP ' /\n DATA GAS_CHEM_SPC( 89 ) / 'RCO3 ' /\n DATA GAS_CHEM_SPC( 90 ) / 'LIMALP ' /\n DATA GAS_CHEM_SPC( 91 ) / 'ACTP ' /\n DATA GAS_CHEM_SPC( 92 ) / 'MEKP ' /\n DATA GAS_CHEM_SPC( 93 ) / 'KETP ' /\n DATA GAS_CHEM_SPC( 94 ) / 'MCP ' /\n DATA GAS_CHEM_SPC( 95 ) / 'MVKP ' /\n DATA GAS_CHEM_SPC( 96 ) / 'UALP ' /\n DATA GAS_CHEM_SPC( 97 ) / 'DCB3 ' /\n DATA GAS_CHEM_SPC( 98 ) / 'BALP ' /\n DATA GAS_CHEM_SPC( 99 ) / 'ADDC ' /\n DATA GAS_CHEM_SPC( 100 ) / 'MCT ' /\n DATA GAS_CHEM_SPC( 101 ) / 'MCTO ' /\n DATA GAS_CHEM_SPC( 102 ) / 'MOH ' /\n DATA GAS_CHEM_SPC( 103 ) / 'EOH ' /\n DATA GAS_CHEM_SPC( 104 ) / 'ETEG ' /\n DATA GAS_CHEM_SPC( 105 ) / 'MAHP ' /\n DATA GAS_CHEM_SPC( 106 ) / 'ORA2 ' /\n DATA GAS_CHEM_SPC( 107 ) / 'ORAP ' /\n DATA GAS_CHEM_SPC( 108 ) / 'PPN ' /\n DATA GAS_CHEM_SPC( 109 ) / 'MPAN ' /\n DATA GAS_CHEM_SPC( 110 ) / 'TRPN ' /\n DATA GAS_CHEM_SPC( 111 ) / 'HOM ' /\n DATA GAS_CHEM_SPC( 112 ) / 'MCTP ' /\n DATA GAS_CHEM_SPC( 113 ) / 'OLNN ' /\n DATA GAS_CHEM_SPC( 114 ) / 'OLND ' /\n DATA GAS_CHEM_SPC( 115 ) / 'APINP1 ' /\n DATA GAS_CHEM_SPC( 116 ) / 'APINP2 ' /\n DATA GAS_CHEM_SPC( 117 ) / 'LIMNP1 ' /\n DATA GAS_CHEM_SPC( 118 ) / 'LIMNP2 ' /\n DATA GAS_CHEM_SPC( 119 ) / 'ADCN ' /\n DATA GAS_CHEM_SPC( 120 ) / 'VROCP4OXY2 ' /\n DATA GAS_CHEM_SPC( 121 ) / 'VROCN1OXY6 ' /\n DATA GAS_CHEM_SPC( 122 ) / 'FURANONE ' /\n DATA GAS_CHEM_SPC( 123 ) / 'VROCP3OXY2 ' /\n DATA GAS_CHEM_SPC( 124 ) / 'VROCP0OXY4 ' /\n DATA GAS_CHEM_SPC( 125 ) / 'BAL1 ' /\n DATA GAS_CHEM_SPC( 126 ) / 'BAL2 ' /\n DATA GAS_CHEM_SPC( 127 ) / 'ELHOM ' /\n DATA GAS_CHEM_SPC( 128 ) / 'VROCIOXY ' /\n DATA GAS_CHEM_SPC( 129 ) / 'SLOWROC ' /\n DATA GAS_CHEM_SPC( 130 ) / 'ACRO ' /\n DATA GAS_CHEM_SPC( 131 ) / 'BDE13 ' /\n DATA GAS_CHEM_SPC( 132 ) / 'BDE13P ' /\n DATA GAS_CHEM_SPC( 133 ) / 'FURAN ' /\n DATA GAS_CHEM_SPC( 134 ) / 'FURANO2 ' /\n DATA GAS_CHEM_SPC( 135 ) / 'PROG ' /\n DATA GAS_CHEM_SPC( 136 ) / 'SESQ ' /\n DATA GAS_CHEM_SPC( 137 ) / 'SESQNRO2 ' /\n DATA GAS_CHEM_SPC( 138 ) / 'VROCN2OXY2 ' /\n DATA GAS_CHEM_SPC( 139 ) / 'SESQRO2 ' /\n DATA GAS_CHEM_SPC( 140 ) / 'VROCP0OXY2 ' /\n DATA GAS_CHEM_SPC( 141 ) / 'VROCP1OXY3 ' /\n DATA GAS_CHEM_SPC( 142 ) / 'IEPOXP ' /\n DATA GAS_CHEM_SPC( 143 ) / 'VROCP6ALK ' /\n DATA GAS_CHEM_SPC( 144 ) / 'VROCP6ALKP ' /\n DATA GAS_CHEM_SPC( 145 ) / 'VROCP5ALK ' /\n DATA GAS_CHEM_SPC( 146 ) / 'VROCP5ALKP ' /\n DATA GAS_CHEM_SPC( 147 ) / 'VROCP4ALK ' /\n DATA GAS_CHEM_SPC( 148 ) / 'VROCP4ALKP ' /\n DATA GAS_CHEM_SPC( 149 ) / 'VROCP3ALK ' /\n DATA GAS_CHEM_SPC( 150 ) / 'VROCP3ALKP ' /\n DATA GAS_CHEM_SPC( 151 ) / 'VROCP2ALK ' /\n DATA GAS_CHEM_SPC( 152 ) / 'VROCP2ALKP ' /\n DATA GAS_CHEM_SPC( 153 ) / 'VROCP1ALK ' /\n DATA GAS_CHEM_SPC( 154 ) / 'VROCP1ALKP ' /\n DATA GAS_CHEM_SPC( 155 ) / 'HC10 ' /\n DATA GAS_CHEM_SPC( 156 ) / 'VROCP6ALKP2 ' /\n DATA GAS_CHEM_SPC( 157 ) / 'VROCP5ALKP2 ' /\n DATA GAS_CHEM_SPC( 158 ) / 'VROCP4ALKP2 ' /\n DATA GAS_CHEM_SPC( 159 ) / 'VROCP2OXY2 ' /\n DATA GAS_CHEM_SPC( 160 ) / 'VROCP3ALKP2 ' /\n DATA GAS_CHEM_SPC( 161 ) / 'VROCP1OXY1 ' /\n DATA GAS_CHEM_SPC( 162 ) / 'VROCP2ALKP2 ' /\n DATA GAS_CHEM_SPC( 163 ) / 'VROCP1ALKP2 ' /\n DATA GAS_CHEM_SPC( 164 ) / 'VROCN1OXY1 ' /\n DATA GAS_CHEM_SPC( 165 ) / 'HC10P2 ' /\n DATA GAS_CHEM_SPC( 166 ) / 'VROCP6ARO ' /\n DATA GAS_CHEM_SPC( 167 ) / 'VROCP6AROP ' /\n DATA GAS_CHEM_SPC( 168 ) / 'VROCN2OXY4 ' /\n DATA GAS_CHEM_SPC( 169 ) / 'VROCN1OXY3 ' /\n DATA GAS_CHEM_SPC( 170 ) / 'VROCP5ARO ' /\n DATA GAS_CHEM_SPC( 171 ) / 'VROCP5AROP ' /\n DATA GAS_CHEM_SPC( 172 ) / 'NAPH ' /\n DATA GAS_CHEM_SPC( 173 ) / 'NAPHP ' /\n DATA GAS_CHEM_SPC( 174 ) / 'VROCN2OXY8 ' /\n DATA GAS_CHEM_SPC( 175 ) / 'VROCP5OXY1 ' /\n DATA GAS_CHEM_SPC( 176 ) / 'VROCP6OXY1 ' /\n\n\n\n\n LOGICAL :: HALOGEN_PARAMETER = .TRUE. \n\n\n! The below character and integer arrays list the model species names used in the \n! chemical mechanism. The gas species and their order should agree with \n! the GC_SPC array for the gas phase chemistry to work correctly. \n! If present, the CHEMISTRY_SPC names and species type should agree with the CGRID_SPCS module\n\n\n! MAPPED_TO_CGRID declares whether CMAQ namelists were used to determine \n! the below values of CGRID_INDEX, SPECIES_TYPE, SPECIES_MOLWT, and CONVERT_CONC\n LOGICAL, PARAMETER, PRIVATE :: F = .FALSE.\n LOGICAL, PARAMETER, PRIVATE :: T = .TRUE.\n\n\n LOGICAL :: MAPPED_TO_CGRID = .FALSE. \n\n TYPE MEMBER\n CHARACTER( 16 ) :: CHEMISTRY_SPC\n INTEGER :: CGRID_INDEX\n CHARACTER( 2 ) :: SPECIES_TYPE\n REAL( 8 ) :: SPECIES_MOLWT\n LOGICAL :: CONVERT_CONC\n END TYPE MEMBER\n TYPE( MEMBER ) :: SPECIES_LIST( NUMB_MECH_SPC ) = (/ &\n & MEMBER(\"O3 \", 1, \"GC\", 48.00D0, F), &\n & MEMBER(\"O3P \", 2, \"GC\", 16.00D0, F), &\n & MEMBER(\"O1D \", 3, \"GC\", 16.00D0, F), &\n & MEMBER(\"H2O2 \", 4, \"GC\", 34.00D0, F), &\n & MEMBER(\"HO \", 5, \"GC\", 17.00D0, F), &\n & MEMBER(\"NO2 \", 6, \"GC\", 46.00D0, F), &\n & MEMBER(\"NO \", 7, \"GC\", 30.00D0, F), &\n & MEMBER(\"NO3 \", 8, \"GC\", 62.00D0, F), &\n & MEMBER(\"HONO \", 9, \"GC\", 47.00D0, F), &\n & MEMBER(\"HNO3 \", 10, \"GC\", 63.00D0, F), &\n & MEMBER(\"HNO4 \", 11, \"GC\", 79.00D0, F), &\n & MEMBER(\"HO2 \", 12, \"GC\", 33.00D0, F), &\n & MEMBER(\"HCHO \", 13, \"GC\", 30.00D0, F), &\n & MEMBER(\"CO \", 14, \"GC\", 28.00D0, F), &\n & MEMBER(\"ACD \", 15, \"GC\", 44.00D0, F), &\n & MEMBER(\"MO2 \", 16, \"GC\", 47.00D0, F), &\n & MEMBER(\"ALD \", 17, \"GC\", 58.00D0, F), &\n & MEMBER(\"ETHP \", 18, \"GC\", 61.00D0, F), &\n & MEMBER(\"ACT \", 19, \"GC\", 58.00D0, F), &\n & MEMBER(\"ACO3 \", 20, \"GC\", 75.00D0, F), &\n & MEMBER(\"UALD \", 21, \"GC\", 84.10D0, F), &\n & MEMBER(\"KET \", 22, \"GC\", 86.00D0, F), &\n & MEMBER(\"PINAL \", 79, \"GC\", 168.00D0, F), &\n & MEMBER(\"HC10P \", 52, \"GC\", 173.27D0, F), &\n & MEMBER(\"LIMAL \", 86, \"GC\", 168.00D0, F), &\n & MEMBER(\"MEK \", 23, \"GC\", 72.10D0, F), &\n & MEMBER(\"HKET \", 24, \"GC\", 74.00D0, F), &\n & MEMBER(\"MACR \", 25, \"GC\", 70.00D0, F), &\n & MEMBER(\"MACP \", 26, \"GC\", 101.00D0, F), &\n & MEMBER(\"XO2 \", 27, \"GC\", 1.00D0, F), &\n & MEMBER(\"MVK \", 28, \"GC\", 70.10D0, F), &\n & MEMBER(\"GLY \", 29, \"GC\", 58.00D0, F), &\n & MEMBER(\"MGLY \", 30, \"GC\", 72.00D0, F), &\n & MEMBER(\"DCB1 \", 31, \"GC\", 98.00D0, F), &\n & MEMBER(\"DCB2 \", 32, \"GC\", 112.10D0, F), &\n & MEMBER(\"BALD \", 33, \"GC\", 106.00D0, F), &\n & MEMBER(\"CHO \", 34, \"GC\", 139.00D0, F), &\n & MEMBER(\"OP1 \", 35, \"GC\", 48.00D0, F), &\n & MEMBER(\"OP2 \", 36, \"GC\", 62.00D0, F), &\n & MEMBER(\"OPB \", 37, \"GC\", 186.20D0, F), &\n & MEMBER(\"OP3 \", 38, \"GC\", 176.20D0, F), &\n & MEMBER(\"PAA \", 39, \"GC\", 76.00D0, F), &\n & MEMBER(\"ONIT \", 40, \"GC\", 119.00D0, F), &\n & MEMBER(\"PAN \", 41, \"GC\", 121.00D0, F), &\n & MEMBER(\"N2O5 \", 42, \"GC\", 108.00D0, F), &\n & MEMBER(\"SO2 \", 43, \"GC\", 64.00D0, F), &\n & MEMBER(\"SULF \", 44, \"GC\", 98.00D0, F), &\n & MEMBER(\"SULRXN \", 45, \"GC\", 98.00D0, F), &\n & MEMBER(\"ETH \", 46, \"GC\", 30.10D0, F), &\n & MEMBER(\"HC3 \", 47, \"GC\", 44.10D0, F), &\n & MEMBER(\"HC3P \", 48, \"GC\", 75.00D0, F), &\n & MEMBER(\"ASOATJ \", 190, \"AE\", 200.00D0, T), &\n & MEMBER(\"HC5 \", 49, \"GC\", 72.10D0, F), &\n & MEMBER(\"HC5P \", 50, \"GC\", 103.00D0, F), &\n & MEMBER(\"ETE \", 54, \"GC\", 28.10D0, F), &\n & MEMBER(\"ETEP \", 55, \"GC\", 77.00D0, F), &\n & MEMBER(\"OLT \", 56, \"GC\", 42.00D0, F), &\n & MEMBER(\"OLTP \", 57, \"GC\", 91.00D0, F), &\n & MEMBER(\"OLI \", 58, \"GC\", 70.10D0, F), &\n & MEMBER(\"OLIP \", 59, \"GC\", 119.00D0, F), &\n & MEMBER(\"ACE \", 60, \"GC\", 26.00D0, F), &\n & MEMBER(\"ORA1 \", 61, \"GC\", 46.00D0, F), &\n & MEMBER(\"BEN \", 62, \"GC\", 78.11D0, F), &\n & MEMBER(\"BENP \", 63, \"GC\", 159.12D0, F), &\n & MEMBER(\"PHEN \", 64, \"GC\", 110.10D0, F), &\n & MEMBER(\"TOL \", 65, \"GC\", 92.14D0, F), &\n & MEMBER(\"TOLP \", 69, \"GC\", 173.14D0, F), &\n & MEMBER(\"CSL \", 66, \"GC\", 136.20D0, F), &\n & MEMBER(\"XYM \", 67, \"GC\", 106.20D0, F), &\n & MEMBER(\"XYMP \", 70, \"GC\", 187.17D0, F), &\n & MEMBER(\"XYE \", 68, \"GC\", 106.20D0, F), &\n & MEMBER(\"XYEP \", 71, \"GC\", 187.17D0, F), &\n & MEMBER(\"ISO \", 72, \"GC\", 68.10D0, F), &\n & MEMBER(\"INO2 \", 115, \"GC\", 162.10D0, F), &\n & MEMBER(\"NALD \", 114, \"GC\", 105.00D0, F), &\n & MEMBER(\"ISOP \", 73, \"GC\", 117.00D0, F), &\n & MEMBER(\"ISHP \", 106, \"GC\", 118.00D0, F), &\n & MEMBER(\"ISON \", 116, \"GC\", 147.00D0, F), &\n & MEMBER(\"IPN \", 117, \"GC\", 163.00D0, F), &\n & MEMBER(\"IEPOX \", 107, \"GC\", 118.10D0, F), &\n & MEMBER(\"IPC \", 118, \"GC\", 116.10D0, F), &\n & MEMBER(\"ROH \", 104, \"GC\", 60.00D0, F), &\n & MEMBER(\"API \", 74, \"GC\", 136.40D0, F), &\n & MEMBER(\"APIP1 \", 75, \"GC\", 185.00D0, F), &\n & MEMBER(\"APIP2 \", 76, \"GC\", 185.00D0, F), &\n & MEMBER(\"LIM \", 81, \"GC\", 136.30D0, F), &\n & MEMBER(\"LIMP1 \", 82, \"GC\", 185.00D0, F), &\n & MEMBER(\"LIMP2 \", 83, \"GC\", 185.00D0, F), &\n & MEMBER(\"PINALP \", 80, \"GC\", 199.00D0, F), &\n & MEMBER(\"RCO3 \", 90, \"GC\", 89.00D0, F), &\n & MEMBER(\"LIMALP \", 87, \"GC\", 217.00D0, F), &\n & MEMBER(\"ACTP \", 91, \"GC\", 89.00D0, F), &\n & MEMBER(\"MEKP \", 92, \"GC\", 103.00D0, F), &\n & MEMBER(\"KETP \", 93, \"GC\", 117.00D0, F), &\n & MEMBER(\"MCP \", 94, \"GC\", 119.00D0, F), &\n & MEMBER(\"MVKP \", 95, \"GC\", 119.00D0, F), &\n & MEMBER(\"UALP \", 96, \"GC\", 133.00D0, F), &\n & MEMBER(\"DCB3 \", 97, \"GC\", 84.00D0, F), &\n & MEMBER(\"BALP \", 98, \"GC\", 137.00D0, F), &\n & MEMBER(\"ADDC \", 99, \"GC\", 125.00D0, F), &\n & MEMBER(\"MCT \", 100, \"GC\", 124.10D0, F), &\n & MEMBER(\"MCTO \", 101, \"GC\", 123.00D0, F), &\n & MEMBER(\"MOH \", 102, \"GC\", 32.00D0, F), &\n & MEMBER(\"EOH \", 103, \"GC\", 46.10D0, F), &\n & MEMBER(\"ETEG \", 105, \"GC\", 62.10D0, F), &\n & MEMBER(\"MAHP \", 109, \"GC\", 102.00D0, F), &\n & MEMBER(\"ORA2 \", 110, \"GC\", 60.20D0, F), &\n & MEMBER(\"ORAP \", 111, \"GC\", 91.00D0, F), &\n & MEMBER(\"PPN \", 112, \"GC\", 135.00D0, F), &\n & MEMBER(\"MPAN \", 113, \"GC\", 147.10D0, F), &\n & MEMBER(\"TRPN \", 119, \"GC\", 215.00D0, F), &\n & MEMBER(\"HOM \", 88, \"GC\", 250.00D0, F), &\n & MEMBER(\"MCTP \", 120, \"GC\", 172.00D0, F), &\n & MEMBER(\"OLNN \", 121, \"GC\", 136.00D0, F), &\n & MEMBER(\"OLND \", 122, \"GC\", 136.00D0, F), &\n & MEMBER(\"APINP1 \", 77, \"GC\", 230.00D0, F), &\n & MEMBER(\"APINP2 \", 78, \"GC\", 230.00D0, F), &\n & MEMBER(\"LIMNP1 \", 84, \"GC\", 230.00D0, F), &\n & MEMBER(\"LIMNP2 \", 85, \"GC\", 230.00D0, F), &\n & MEMBER(\"ADCN \", 123, \"GC\", 155.00D0, F), &\n & MEMBER(\"VROCP4OXY2 \", 177, \"GC\", 158.20D0, F), &\n & MEMBER(\"VROCN1OXY6 \", 170, \"GC\", 190.20D0, F), &\n & MEMBER(\"FURANONE \", 132, \"GC\", 100.10D0, F), &\n & MEMBER(\"VROCP3OXY2 \", 176, \"GC\", 186.30D0, F), &\n & MEMBER(\"VROCP0OXY4 \", 172, \"GC\", 202.30D0, F), &\n & MEMBER(\"BAL1 \", 124, \"GC\", 123.00D0, F), &\n & MEMBER(\"BAL2 \", 125, \"GC\", 109.00D0, F), &\n & MEMBER(\"ELHOM \", 89, \"GC\", 402.00D0, F), &\n & MEMBER(\"VROCIOXY \", 133, \"GC\", 247.00D0, F), &\n & MEMBER(\"SLOWROC \", 134, \"GC\", 75.40D0, F), &\n & MEMBER(\"ACRO \", 126, \"GC\", 56.10D0, F), &\n & MEMBER(\"BDE13 \", 127, \"GC\", 54.10D0, F), &\n & MEMBER(\"BDE13P \", 128, \"GC\", 103.00D0, F), &\n & MEMBER(\"FURAN \", 130, \"GC\", 96.10D0, F), &\n & MEMBER(\"FURANO2 \", 131, \"GC\", 145.10D0, F), &\n & MEMBER(\"PROG \", 129, \"GC\", 76.10D0, F), &\n & MEMBER(\"SESQ \", 135, \"GC\", 204.40D0, F), &\n & MEMBER(\"SESQNRO2 \", 137, \"GC\", 298.40D0, F), &\n & MEMBER(\"VROCN2OXY2 \", 165, \"GC\", 282.40D0, F), &\n & MEMBER(\"SESQRO2 \", 136, \"GC\", 253.40D0, F), &\n & MEMBER(\"VROCP0OXY2 \", 171, \"GC\", 242.40D0, F), &\n & MEMBER(\"VROCP1OXY3 \", 174, \"GC\", 202.30D0, F), &\n & MEMBER(\"AGLYJ \", 191, \"AE\", 66.40D0, T), &\n & MEMBER(\"IEPOXP \", 108, \"GC\", 118.10D0, F), &\n & MEMBER(\"AISO3NOSJ \", 265, \"AE\", 136.20D0, T), &\n & MEMBER(\"ASO4J \", 182, \"AE\", 96.00D0, T), &\n & MEMBER(\"AISO3OSJ \", 266, \"AE\", 216.20D0, T), &\n & MEMBER(\"VROCP6ALK \", 152, \"GC\", 184.37D0, F), &\n & MEMBER(\"VROCP6ALKP \", 158, \"GC\", 215.36D0, F), &\n & MEMBER(\"VROCP5ALK \", 151, \"GC\", 198.39D0, F), &\n & MEMBER(\"VROCP5ALKP \", 157, \"GC\", 229.38D0, F), &\n & MEMBER(\"VROCP4ALK \", 150, \"GC\", 254.50D0, F), &\n & MEMBER(\"VROCP4ALKP \", 156, \"GC\", 285.49D0, F), &\n & MEMBER(\"VROCP3ALK \", 149, \"GC\", 296.58D0, F), &\n & MEMBER(\"VROCP3ALKP \", 155, \"GC\", 327.57D0, F), &\n & MEMBER(\"VROCP2ALK \", 148, \"GC\", 338.66D0, F), &\n & MEMBER(\"VROCP2ALKP \", 154, \"GC\", 369.65D0, F), &\n & MEMBER(\"VROCP1ALK \", 147, \"GC\", 380.75D0, F), &\n & MEMBER(\"VROCP1ALKP \", 153, \"GC\", 411.74D0, F), &\n & MEMBER(\"HC10 \", 51, \"GC\", 142.28D0, F), &\n & MEMBER(\"VROCP6ALKP2 \", 164, \"GC\", 231.36D0, F), &\n & MEMBER(\"VROCP5ALKP2 \", 163, \"GC\", 245.38D0, F), &\n & MEMBER(\"VROCP4ALKP2 \", 162, \"GC\", 301.49D0, F), &\n & MEMBER(\"VROCP2OXY2 \", 175, \"GC\", 200.30D0, F), &\n & MEMBER(\"VROCP3ALKP2 \", 161, \"GC\", 343.57D0, F), &\n & MEMBER(\"VROCP1OXY1 \", 173, \"GC\", 270.50D0, F), &\n & MEMBER(\"VROCP2ALKP2 \", 160, \"GC\", 385.65D0, F), &\n & MEMBER(\"VROCP1ALKP2 \", 159, \"GC\", 427.73D0, F), &\n & MEMBER(\"VROCN1OXY1 \", 168, \"GC\", 312.50D0, F), &\n & MEMBER(\"HC10P2 \", 53, \"GC\", 189.27D0, F), &\n & MEMBER(\"VROCP6ARO \", 141, \"GC\", 176.30D0, F), &\n & MEMBER(\"VROCP6AROP \", 143, \"GC\", 257.30D0, F), &\n & MEMBER(\"VROCN2OXY4 \", 166, \"GC\", 232.30D0, F), &\n & MEMBER(\"VROCN1OXY3 \", 169, \"GC\", 230.30D0, F), &\n & MEMBER(\"VROCP5ARO \", 140, \"GC\", 190.33D0, F), &\n & MEMBER(\"VROCP5AROP \", 142, \"GC\", 271.33D0, F), &\n & MEMBER(\"NAPH \", 138, \"GC\", 128.17D0, F), &\n & MEMBER(\"NAPHP \", 139, \"GC\", 209.17D0, F), &\n & MEMBER(\"VROCN2OXY8 \", 167, \"GC\", 194.20D0, F), &\n & MEMBER(\"VROCP5OXY1 \", 178, \"GC\", 170.30D0, F), &\n & MEMBER(\"VROCP6OXY1 \", 179, \"GC\", 142.20D0, F) /)\n\n DATA CHEMISTRY_SPC( 1 ), SPECIES_MOLWT( 1 ) / 'O3 ', 48.00D0 /\n DATA CHEMISTRY_SPC( 2 ), SPECIES_MOLWT( 2 ) / 'O3P ', 16.00D0 /\n DATA CHEMISTRY_SPC( 3 ), SPECIES_MOLWT( 3 ) / 'O1D ', 16.00D0 /\n DATA CHEMISTRY_SPC( 4 ), SPECIES_MOLWT( 4 ) / 'H2O2 ', 34.00D0 /\n DATA CHEMISTRY_SPC( 5 ), SPECIES_MOLWT( 5 ) / 'HO ', 17.00D0 /\n DATA CHEMISTRY_SPC( 6 ), SPECIES_MOLWT( 6 ) / 'NO2 ', 46.00D0 /\n DATA CHEMISTRY_SPC( 7 ), SPECIES_MOLWT( 7 ) / 'NO ', 30.00D0 /\n DATA CHEMISTRY_SPC( 8 ), SPECIES_MOLWT( 8 ) / 'NO3 ', 62.00D0 /\n DATA CHEMISTRY_SPC( 9 ), SPECIES_MOLWT( 9 ) / 'HONO ', 47.00D0 /\n DATA CHEMISTRY_SPC( 10 ), SPECIES_MOLWT( 10 ) / 'HNO3 ', 63.00D0 /\n DATA CHEMISTRY_SPC( 11 ), SPECIES_MOLWT( 11 ) / 'HNO4 ', 79.00D0 /\n DATA CHEMISTRY_SPC( 12 ), SPECIES_MOLWT( 12 ) / 'HO2 ', 33.00D0 /\n DATA CHEMISTRY_SPC( 13 ), SPECIES_MOLWT( 13 ) / 'HCHO ', 30.00D0 /\n DATA CHEMISTRY_SPC( 14 ), SPECIES_MOLWT( 14 ) / 'CO ', 28.00D0 /\n DATA CHEMISTRY_SPC( 15 ), SPECIES_MOLWT( 15 ) / 'ACD ', 44.00D0 /\n DATA CHEMISTRY_SPC( 16 ), SPECIES_MOLWT( 16 ) / 'MO2 ', 47.00D0 /\n DATA CHEMISTRY_SPC( 17 ), SPECIES_MOLWT( 17 ) / 'ALD ', 58.00D0 /\n DATA CHEMISTRY_SPC( 18 ), SPECIES_MOLWT( 18 ) / 'ETHP ', 61.00D0 /\n DATA CHEMISTRY_SPC( 19 ), SPECIES_MOLWT( 19 ) / 'ACT ', 58.00D0 /\n DATA CHEMISTRY_SPC( 20 ), SPECIES_MOLWT( 20 ) / 'ACO3 ', 75.00D0 /\n DATA CHEMISTRY_SPC( 21 ), SPECIES_MOLWT( 21 ) / 'UALD ', 84.10D0 /\n DATA CHEMISTRY_SPC( 22 ), SPECIES_MOLWT( 22 ) / 'KET ', 86.00D0 /\n DATA CHEMISTRY_SPC( 23 ), SPECIES_MOLWT( 23 ) / 'PINAL ', 168.00D0 /\n DATA CHEMISTRY_SPC( 24 ), SPECIES_MOLWT( 24 ) / 'HC10P ', 173.27D0 /\n DATA CHEMISTRY_SPC( 25 ), SPECIES_MOLWT( 25 ) / 'LIMAL ', 168.00D0 /\n DATA CHEMISTRY_SPC( 26 ), SPECIES_MOLWT( 26 ) / 'MEK ', 72.10D0 /\n DATA CHEMISTRY_SPC( 27 ), SPECIES_MOLWT( 27 ) / 'HKET ', 74.00D0 /\n DATA CHEMISTRY_SPC( 28 ), SPECIES_MOLWT( 28 ) / 'MACR ', 70.00D0 /\n DATA CHEMISTRY_SPC( 29 ), SPECIES_MOLWT( 29 ) / 'MACP ', 101.00D0 /\n DATA CHEMISTRY_SPC( 30 ), SPECIES_MOLWT( 30 ) / 'XO2 ', 1.00D0 /\n DATA CHEMISTRY_SPC( 31 ), SPECIES_MOLWT( 31 ) / 'MVK ', 70.10D0 /\n DATA CHEMISTRY_SPC( 32 ), SPECIES_MOLWT( 32 ) / 'GLY ', 58.00D0 /\n DATA CHEMISTRY_SPC( 33 ), SPECIES_MOLWT( 33 ) / 'MGLY ', 72.00D0 /\n DATA CHEMISTRY_SPC( 34 ), SPECIES_MOLWT( 34 ) / 'DCB1 ', 98.00D0 /\n DATA CHEMISTRY_SPC( 35 ), SPECIES_MOLWT( 35 ) / 'DCB2 ', 112.10D0 /\n DATA CHEMISTRY_SPC( 36 ), SPECIES_MOLWT( 36 ) / 'BALD ', 106.00D0 /\n DATA CHEMISTRY_SPC( 37 ), SPECIES_MOLWT( 37 ) / 'CHO ', 139.00D0 /\n DATA CHEMISTRY_SPC( 38 ), SPECIES_MOLWT( 38 ) / 'OP1 ', 48.00D0 /\n DATA CHEMISTRY_SPC( 39 ), SPECIES_MOLWT( 39 ) / 'OP2 ', 62.00D0 /\n DATA CHEMISTRY_SPC( 40 ), SPECIES_MOLWT( 40 ) / 'OPB ', 186.20D0 /\n DATA CHEMISTRY_SPC( 41 ), SPECIES_MOLWT( 41 ) / 'OP3 ', 176.20D0 /\n DATA CHEMISTRY_SPC( 42 ), SPECIES_MOLWT( 42 ) / 'PAA ', 76.00D0 /\n DATA CHEMISTRY_SPC( 43 ), SPECIES_MOLWT( 43 ) / 'ONIT ', 119.00D0 /\n DATA CHEMISTRY_SPC( 44 ), SPECIES_MOLWT( 44 ) / 'PAN ', 121.00D0 /\n DATA CHEMISTRY_SPC( 45 ), SPECIES_MOLWT( 45 ) / 'N2O5 ', 108.00D0 /\n DATA CHEMISTRY_SPC( 46 ), SPECIES_MOLWT( 46 ) / 'SO2 ', 64.00D0 /\n DATA CHEMISTRY_SPC( 47 ), SPECIES_MOLWT( 47 ) / 'SULF ', 98.00D0 /\n DATA CHEMISTRY_SPC( 48 ), SPECIES_MOLWT( 48 ) / 'SULRXN ', 98.00D0 /\n DATA CHEMISTRY_SPC( 49 ), SPECIES_MOLWT( 49 ) / 'ETH ', 30.10D0 /\n DATA CHEMISTRY_SPC( 50 ), SPECIES_MOLWT( 50 ) / 'HC3 ', 44.10D0 /\n DATA CHEMISTRY_SPC( 51 ), SPECIES_MOLWT( 51 ) / 'HC3P ', 75.00D0 /\n DATA CHEMISTRY_SPC( 52 ), SPECIES_MOLWT( 52 ) / 'ASOATJ ', 200.00D0 /\n DATA CHEMISTRY_SPC( 53 ), SPECIES_MOLWT( 53 ) / 'HC5 ', 72.10D0 /\n DATA CHEMISTRY_SPC( 54 ), SPECIES_MOLWT( 54 ) / 'HC5P ', 103.00D0 /\n DATA CHEMISTRY_SPC( 55 ), SPECIES_MOLWT( 55 ) / 'ETE ', 28.10D0 /\n DATA CHEMISTRY_SPC( 56 ), SPECIES_MOLWT( 56 ) / 'ETEP ', 77.00D0 /\n DATA CHEMISTRY_SPC( 57 ), SPECIES_MOLWT( 57 ) / 'OLT ', 42.00D0 /\n DATA CHEMISTRY_SPC( 58 ), SPECIES_MOLWT( 58 ) / 'OLTP ', 91.00D0 /\n DATA CHEMISTRY_SPC( 59 ), SPECIES_MOLWT( 59 ) / 'OLI ', 70.10D0 /\n DATA CHEMISTRY_SPC( 60 ), SPECIES_MOLWT( 60 ) / 'OLIP ', 119.00D0 /\n DATA CHEMISTRY_SPC( 61 ), SPECIES_MOLWT( 61 ) / 'ACE ', 26.00D0 /\n DATA CHEMISTRY_SPC( 62 ), SPECIES_MOLWT( 62 ) / 'ORA1 ', 46.00D0 /\n DATA CHEMISTRY_SPC( 63 ), SPECIES_MOLWT( 63 ) / 'BEN ', 78.11D0 /\n DATA CHEMISTRY_SPC( 64 ), SPECIES_MOLWT( 64 ) / 'BENP ', 159.12D0 /\n DATA CHEMISTRY_SPC( 65 ), SPECIES_MOLWT( 65 ) / 'PHEN ', 110.10D0 /\n DATA CHEMISTRY_SPC( 66 ), SPECIES_MOLWT( 66 ) / 'TOL ', 92.14D0 /\n DATA CHEMISTRY_SPC( 67 ), SPECIES_MOLWT( 67 ) / 'TOLP ', 173.14D0 /\n DATA CHEMISTRY_SPC( 68 ), SPECIES_MOLWT( 68 ) / 'CSL ', 136.20D0 /\n DATA CHEMISTRY_SPC( 69 ), SPECIES_MOLWT( 69 ) / 'XYM ', 106.20D0 /\n DATA CHEMISTRY_SPC( 70 ), SPECIES_MOLWT( 70 ) / 'XYMP ', 187.17D0 /\n DATA CHEMISTRY_SPC( 71 ), SPECIES_MOLWT( 71 ) / 'XYE ', 106.20D0 /\n DATA CHEMISTRY_SPC( 72 ), SPECIES_MOLWT( 72 ) / 'XYEP ', 187.17D0 /\n DATA CHEMISTRY_SPC( 73 ), SPECIES_MOLWT( 73 ) / 'ISO ', 68.10D0 /\n DATA CHEMISTRY_SPC( 74 ), SPECIES_MOLWT( 74 ) / 'INO2 ', 162.10D0 /\n DATA CHEMISTRY_SPC( 75 ), SPECIES_MOLWT( 75 ) / 'NALD ', 105.00D0 /\n DATA CHEMISTRY_SPC( 76 ), SPECIES_MOLWT( 76 ) / 'ISOP ', 117.00D0 /\n DATA CHEMISTRY_SPC( 77 ), SPECIES_MOLWT( 77 ) / 'ISHP ', 118.00D0 /\n DATA CHEMISTRY_SPC( 78 ), SPECIES_MOLWT( 78 ) / 'ISON ', 147.00D0 /\n DATA CHEMISTRY_SPC( 79 ), SPECIES_MOLWT( 79 ) / 'IPN ', 163.00D0 /\n DATA CHEMISTRY_SPC( 80 ), SPECIES_MOLWT( 80 ) / 'IEPOX ', 118.10D0 /\n DATA CHEMISTRY_SPC( 81 ), SPECIES_MOLWT( 81 ) / 'IPC ', 116.10D0 /\n DATA CHEMISTRY_SPC( 82 ), SPECIES_MOLWT( 82 ) / 'ROH ', 60.00D0 /\n DATA CHEMISTRY_SPC( 83 ), SPECIES_MOLWT( 83 ) / 'API ', 136.40D0 /\n DATA CHEMISTRY_SPC( 84 ), SPECIES_MOLWT( 84 ) / 'APIP1 ', 185.00D0 /\n DATA CHEMISTRY_SPC( 85 ), SPECIES_MOLWT( 85 ) / 'APIP2 ', 185.00D0 /\n DATA CHEMISTRY_SPC( 86 ), SPECIES_MOLWT( 86 ) / 'LIM ', 136.30D0 /\n DATA CHEMISTRY_SPC( 87 ), SPECIES_MOLWT( 87 ) / 'LIMP1 ', 185.00D0 /\n DATA CHEMISTRY_SPC( 88 ), SPECIES_MOLWT( 88 ) / 'LIMP2 ', 185.00D0 /\n DATA CHEMISTRY_SPC( 89 ), SPECIES_MOLWT( 89 ) / 'PINALP ', 199.00D0 /\n DATA CHEMISTRY_SPC( 90 ), SPECIES_MOLWT( 90 ) / 'RCO3 ', 89.00D0 /\n DATA CHEMISTRY_SPC( 91 ), SPECIES_MOLWT( 91 ) / 'LIMALP ', 217.00D0 /\n DATA CHEMISTRY_SPC( 92 ), SPECIES_MOLWT( 92 ) / 'ACTP ', 89.00D0 /\n DATA CHEMISTRY_SPC( 93 ), SPECIES_MOLWT( 93 ) / 'MEKP ', 103.00D0 /\n DATA CHEMISTRY_SPC( 94 ), SPECIES_MOLWT( 94 ) / 'KETP ', 117.00D0 /\n DATA CHEMISTRY_SPC( 95 ), SPECIES_MOLWT( 95 ) / 'MCP ', 119.00D0 /\n DATA CHEMISTRY_SPC( 96 ), SPECIES_MOLWT( 96 ) / 'MVKP ', 119.00D0 /\n DATA CHEMISTRY_SPC( 97 ), SPECIES_MOLWT( 97 ) / 'UALP ', 133.00D0 /\n DATA CHEMISTRY_SPC( 98 ), SPECIES_MOLWT( 98 ) / 'DCB3 ', 84.00D0 /\n DATA CHEMISTRY_SPC( 99 ), SPECIES_MOLWT( 99 ) / 'BALP ', 137.00D0 /\n DATA CHEMISTRY_SPC( 100 ), SPECIES_MOLWT( 100 ) / 'ADDC ', 125.00D0 /\n DATA CHEMISTRY_SPC( 101 ), SPECIES_MOLWT( 101 ) / 'MCT ', 124.10D0 /\n DATA CHEMISTRY_SPC( 102 ), SPECIES_MOLWT( 102 ) / 'MCTO ', 123.00D0 /\n DATA CHEMISTRY_SPC( 103 ), SPECIES_MOLWT( 103 ) / 'MOH ', 32.00D0 /\n DATA CHEMISTRY_SPC( 104 ), SPECIES_MOLWT( 104 ) / 'EOH ', 46.10D0 /\n DATA CHEMISTRY_SPC( 105 ), SPECIES_MOLWT( 105 ) / 'ETEG ', 62.10D0 /\n DATA CHEMISTRY_SPC( 106 ), SPECIES_MOLWT( 106 ) / 'MAHP ', 102.00D0 /\n DATA CHEMISTRY_SPC( 107 ), SPECIES_MOLWT( 107 ) / 'ORA2 ', 60.20D0 /\n DATA CHEMISTRY_SPC( 108 ), SPECIES_MOLWT( 108 ) / 'ORAP ', 91.00D0 /\n DATA CHEMISTRY_SPC( 109 ), SPECIES_MOLWT( 109 ) / 'PPN ', 135.00D0 /\n DATA CHEMISTRY_SPC( 110 ), SPECIES_MOLWT( 110 ) / 'MPAN ', 147.10D0 /\n DATA CHEMISTRY_SPC( 111 ), SPECIES_MOLWT( 111 ) / 'TRPN ', 215.00D0 /\n DATA CHEMISTRY_SPC( 112 ), SPECIES_MOLWT( 112 ) / 'HOM ', 250.00D0 /\n DATA CHEMISTRY_SPC( 113 ), SPECIES_MOLWT( 113 ) / 'MCTP ', 172.00D0 /\n DATA CHEMISTRY_SPC( 114 ), SPECIES_MOLWT( 114 ) / 'OLNN ', 136.00D0 /\n DATA CHEMISTRY_SPC( 115 ), SPECIES_MOLWT( 115 ) / 'OLND ', 136.00D0 /\n DATA CHEMISTRY_SPC( 116 ), SPECIES_MOLWT( 116 ) / 'APINP1 ', 230.00D0 /\n DATA CHEMISTRY_SPC( 117 ), SPECIES_MOLWT( 117 ) / 'APINP2 ', 230.00D0 /\n DATA CHEMISTRY_SPC( 118 ), SPECIES_MOLWT( 118 ) / 'LIMNP1 ', 230.00D0 /\n DATA CHEMISTRY_SPC( 119 ), SPECIES_MOLWT( 119 ) / 'LIMNP2 ', 230.00D0 /\n DATA CHEMISTRY_SPC( 120 ), SPECIES_MOLWT( 120 ) / 'ADCN ', 155.00D0 /\n DATA CHEMISTRY_SPC( 121 ), SPECIES_MOLWT( 121 ) / 'VROCP4OXY2 ', 158.20D0 /\n DATA CHEMISTRY_SPC( 122 ), SPECIES_MOLWT( 122 ) / 'VROCN1OXY6 ', 190.20D0 /\n DATA CHEMISTRY_SPC( 123 ), SPECIES_MOLWT( 123 ) / 'FURANONE ', 100.10D0 /\n DATA CHEMISTRY_SPC( 124 ), SPECIES_MOLWT( 124 ) / 'VROCP3OXY2 ', 186.30D0 /\n DATA CHEMISTRY_SPC( 125 ), SPECIES_MOLWT( 125 ) / 'VROCP0OXY4 ', 202.30D0 /\n DATA CHEMISTRY_SPC( 126 ), SPECIES_MOLWT( 126 ) / 'BAL1 ', 123.00D0 /\n DATA CHEMISTRY_SPC( 127 ), SPECIES_MOLWT( 127 ) / 'BAL2 ', 109.00D0 /\n DATA CHEMISTRY_SPC( 128 ), SPECIES_MOLWT( 128 ) / 'ELHOM ', 402.00D0 /\n DATA CHEMISTRY_SPC( 129 ), SPECIES_MOLWT( 129 ) / 'VROCIOXY ', 247.00D0 /\n DATA CHEMISTRY_SPC( 130 ), SPECIES_MOLWT( 130 ) / 'SLOWROC ', 75.40D0 /\n DATA CHEMISTRY_SPC( 131 ), SPECIES_MOLWT( 131 ) / 'ACRO ', 56.10D0 /\n DATA CHEMISTRY_SPC( 132 ), SPECIES_MOLWT( 132 ) / 'BDE13 ', 54.10D0 /\n DATA CHEMISTRY_SPC( 133 ), SPECIES_MOLWT( 133 ) / 'BDE13P ', 103.00D0 /\n DATA CHEMISTRY_SPC( 134 ), SPECIES_MOLWT( 134 ) / 'FURAN ', 96.10D0 /\n DATA CHEMISTRY_SPC( 135 ), SPECIES_MOLWT( 135 ) / 'FURANO2 ', 145.10D0 /\n DATA CHEMISTRY_SPC( 136 ), SPECIES_MOLWT( 136 ) / 'PROG ', 76.10D0 /\n DATA CHEMISTRY_SPC( 137 ), SPECIES_MOLWT( 137 ) / 'SESQ ', 204.40D0 /\n DATA CHEMISTRY_SPC( 138 ), SPECIES_MOLWT( 138 ) / 'SESQNRO2 ', 298.40D0 /\n DATA CHEMISTRY_SPC( 139 ), SPECIES_MOLWT( 139 ) / 'VROCN2OXY2 ', 282.40D0 /\n DATA CHEMISTRY_SPC( 140 ), SPECIES_MOLWT( 140 ) / 'SESQRO2 ', 253.40D0 /\n DATA CHEMISTRY_SPC( 141 ), SPECIES_MOLWT( 141 ) / 'VROCP0OXY2 ', 242.40D0 /\n DATA CHEMISTRY_SPC( 142 ), SPECIES_MOLWT( 142 ) / 'VROCP1OXY3 ', 202.30D0 /\n DATA CHEMISTRY_SPC( 143 ), SPECIES_MOLWT( 143 ) / 'AGLYJ ', 66.40D0 /\n DATA CHEMISTRY_SPC( 144 ), SPECIES_MOLWT( 144 ) / 'IEPOXP ', 118.10D0 /\n DATA CHEMISTRY_SPC( 145 ), SPECIES_MOLWT( 145 ) / 'AISO3NOSJ ', 136.20D0 /\n DATA CHEMISTRY_SPC( 146 ), SPECIES_MOLWT( 146 ) / 'ASO4J ', 96.00D0 /\n DATA CHEMISTRY_SPC( 147 ), SPECIES_MOLWT( 147 ) / 'AISO3OSJ ', 216.20D0 /\n DATA CHEMISTRY_SPC( 148 ), SPECIES_MOLWT( 148 ) / 'VROCP6ALK ', 184.37D0 /\n DATA CHEMISTRY_SPC( 149 ), SPECIES_MOLWT( 149 ) / 'VROCP6ALKP ', 215.36D0 /\n DATA CHEMISTRY_SPC( 150 ), SPECIES_MOLWT( 150 ) / 'VROCP5ALK ', 198.39D0 /\n DATA CHEMISTRY_SPC( 151 ), SPECIES_MOLWT( 151 ) / 'VROCP5ALKP ', 229.38D0 /\n DATA CHEMISTRY_SPC( 152 ), SPECIES_MOLWT( 152 ) / 'VROCP4ALK ', 254.50D0 /\n DATA CHEMISTRY_SPC( 153 ), SPECIES_MOLWT( 153 ) / 'VROCP4ALKP ', 285.49D0 /\n DATA CHEMISTRY_SPC( 154 ), SPECIES_MOLWT( 154 ) / 'VROCP3ALK ', 296.58D0 /\n DATA CHEMISTRY_SPC( 155 ), SPECIES_MOLWT( 155 ) / 'VROCP3ALKP ', 327.57D0 /\n DATA CHEMISTRY_SPC( 156 ), SPECIES_MOLWT( 156 ) / 'VROCP2ALK ', 338.66D0 /\n DATA CHEMISTRY_SPC( 157 ), SPECIES_MOLWT( 157 ) / 'VROCP2ALKP ', 369.65D0 /\n DATA CHEMISTRY_SPC( 158 ), SPECIES_MOLWT( 158 ) / 'VROCP1ALK ', 380.75D0 /\n DATA CHEMISTRY_SPC( 159 ), SPECIES_MOLWT( 159 ) / 'VROCP1ALKP ', 411.74D0 /\n DATA CHEMISTRY_SPC( 160 ), SPECIES_MOLWT( 160 ) / 'HC10 ', 142.28D0 /\n DATA CHEMISTRY_SPC( 161 ), SPECIES_MOLWT( 161 ) / 'VROCP6ALKP2 ', 231.36D0 /\n DATA CHEMISTRY_SPC( 162 ), SPECIES_MOLWT( 162 ) / 'VROCP5ALKP2 ', 245.38D0 /\n DATA CHEMISTRY_SPC( 163 ), SPECIES_MOLWT( 163 ) / 'VROCP4ALKP2 ', 301.49D0 /\n DATA CHEMISTRY_SPC( 164 ), SPECIES_MOLWT( 164 ) / 'VROCP2OXY2 ', 200.30D0 /\n DATA CHEMISTRY_SPC( 165 ), SPECIES_MOLWT( 165 ) / 'VROCP3ALKP2 ', 343.57D0 /\n DATA CHEMISTRY_SPC( 166 ), SPECIES_MOLWT( 166 ) / 'VROCP1OXY1 ', 270.50D0 /\n DATA CHEMISTRY_SPC( 167 ), SPECIES_MOLWT( 167 ) / 'VROCP2ALKP2 ', 385.65D0 /\n DATA CHEMISTRY_SPC( 168 ), SPECIES_MOLWT( 168 ) / 'VROCP1ALKP2 ', 427.73D0 /\n DATA CHEMISTRY_SPC( 169 ), SPECIES_MOLWT( 169 ) / 'VROCN1OXY1 ', 312.50D0 /\n DATA CHEMISTRY_SPC( 170 ), SPECIES_MOLWT( 170 ) / 'HC10P2 ', 189.27D0 /\n DATA CHEMISTRY_SPC( 171 ), SPECIES_MOLWT( 171 ) / 'VROCP6ARO ', 176.30D0 /\n DATA CHEMISTRY_SPC( 172 ), SPECIES_MOLWT( 172 ) / 'VROCP6AROP ', 257.30D0 /\n DATA CHEMISTRY_SPC( 173 ), SPECIES_MOLWT( 173 ) / 'VROCN2OXY4 ', 232.30D0 /\n DATA CHEMISTRY_SPC( 174 ), SPECIES_MOLWT( 174 ) / 'VROCN1OXY3 ', 230.30D0 /\n DATA CHEMISTRY_SPC( 175 ), SPECIES_MOLWT( 175 ) / 'VROCP5ARO ', 190.33D0 /\n DATA CHEMISTRY_SPC( 176 ), SPECIES_MOLWT( 176 ) / 'VROCP5AROP ', 271.33D0 /\n DATA CHEMISTRY_SPC( 177 ), SPECIES_MOLWT( 177 ) / 'NAPH ', 128.17D0 /\n DATA CHEMISTRY_SPC( 178 ), SPECIES_MOLWT( 178 ) / 'NAPHP ', 209.17D0 /\n DATA CHEMISTRY_SPC( 179 ), SPECIES_MOLWT( 179 ) / 'VROCN2OXY8 ', 194.20D0 /\n DATA CHEMISTRY_SPC( 180 ), SPECIES_MOLWT( 180 ) / 'VROCP5OXY1 ', 170.30D0 /\n DATA CHEMISTRY_SPC( 181 ), SPECIES_MOLWT( 181 ) / 'VROCP6OXY1 ', 142.20D0 /\n\n\n DATA CGRID_INDEX( 1 ), SPECIES_TYPE( 1 ), CONVERT_CONC( 1 ) / 1, 'GC', F / ! O3\n DATA CGRID_INDEX( 2 ), SPECIES_TYPE( 2 ), CONVERT_CONC( 2 ) / 2, 'GC', F / ! O3P\n DATA CGRID_INDEX( 3 ), SPECIES_TYPE( 3 ), CONVERT_CONC( 3 ) / 3, 'GC', F / ! O1D\n DATA CGRID_INDEX( 4 ), SPECIES_TYPE( 4 ), CONVERT_CONC( 4 ) / 4, 'GC', F / ! H2O2\n DATA CGRID_INDEX( 5 ), SPECIES_TYPE( 5 ), CONVERT_CONC( 5 ) / 5, 'GC', F / ! HO\n DATA CGRID_INDEX( 6 ), SPECIES_TYPE( 6 ), CONVERT_CONC( 6 ) / 6, 'GC', F / ! NO2\n DATA CGRID_INDEX( 7 ), SPECIES_TYPE( 7 ), CONVERT_CONC( 7 ) / 7, 'GC', F / ! NO\n DATA CGRID_INDEX( 8 ), SPECIES_TYPE( 8 ), CONVERT_CONC( 8 ) / 8, 'GC', F / ! NO3\n DATA CGRID_INDEX( 9 ), SPECIES_TYPE( 9 ), CONVERT_CONC( 9 ) / 9, 'GC', F / ! HONO\n DATA CGRID_INDEX( 10 ), SPECIES_TYPE( 10 ), CONVERT_CONC( 10 ) / 10, 'GC', F / ! HNO3\n DATA CGRID_INDEX( 11 ), SPECIES_TYPE( 11 ), CONVERT_CONC( 11 ) / 11, 'GC', F / ! HNO4\n DATA CGRID_INDEX( 12 ), SPECIES_TYPE( 12 ), CONVERT_CONC( 12 ) / 12, 'GC', F / ! HO2\n DATA CGRID_INDEX( 13 ), SPECIES_TYPE( 13 ), CONVERT_CONC( 13 ) / 13, 'GC', F / ! HCHO\n DATA CGRID_INDEX( 14 ), SPECIES_TYPE( 14 ), CONVERT_CONC( 14 ) / 14, 'GC', F / ! CO\n DATA CGRID_INDEX( 15 ), SPECIES_TYPE( 15 ), CONVERT_CONC( 15 ) / 15, 'GC', F / ! ACD\n DATA CGRID_INDEX( 16 ), SPECIES_TYPE( 16 ), CONVERT_CONC( 16 ) / 16, 'GC', F / ! MO2\n DATA CGRID_INDEX( 17 ), SPECIES_TYPE( 17 ), CONVERT_CONC( 17 ) / 17, 'GC', F / ! ALD\n DATA CGRID_INDEX( 18 ), SPECIES_TYPE( 18 ), CONVERT_CONC( 18 ) / 18, 'GC', F / ! ETHP\n DATA CGRID_INDEX( 19 ), SPECIES_TYPE( 19 ), CONVERT_CONC( 19 ) / 19, 'GC', F / ! ACT\n DATA CGRID_INDEX( 20 ), SPECIES_TYPE( 20 ), CONVERT_CONC( 20 ) / 20, 'GC', F / ! ACO3\n DATA CGRID_INDEX( 21 ), SPECIES_TYPE( 21 ), CONVERT_CONC( 21 ) / 21, 'GC', F / ! UALD\n DATA CGRID_INDEX( 22 ), SPECIES_TYPE( 22 ), CONVERT_CONC( 22 ) / 22, 'GC', F / ! KET\n DATA CGRID_INDEX( 23 ), SPECIES_TYPE( 23 ), CONVERT_CONC( 23 ) / 79, 'GC', F / ! PINAL\n DATA CGRID_INDEX( 24 ), SPECIES_TYPE( 24 ), CONVERT_CONC( 24 ) / 52, 'GC', F / ! HC10P\n DATA CGRID_INDEX( 25 ), SPECIES_TYPE( 25 ), CONVERT_CONC( 25 ) / 86, 'GC', F / ! LIMAL\n DATA CGRID_INDEX( 26 ), SPECIES_TYPE( 26 ), CONVERT_CONC( 26 ) / 23, 'GC', F / ! MEK\n DATA CGRID_INDEX( 27 ), SPECIES_TYPE( 27 ), CONVERT_CONC( 27 ) / 24, 'GC', F / ! HKET\n DATA CGRID_INDEX( 28 ), SPECIES_TYPE( 28 ), CONVERT_CONC( 28 ) / 25, 'GC', F / ! MACR\n DATA CGRID_INDEX( 29 ), SPECIES_TYPE( 29 ), CONVERT_CONC( 29 ) / 26, 'GC', F / ! MACP\n DATA CGRID_INDEX( 30 ), SPECIES_TYPE( 30 ), CONVERT_CONC( 30 ) / 27, 'GC', F / ! XO2\n DATA CGRID_INDEX( 31 ), SPECIES_TYPE( 31 ), CONVERT_CONC( 31 ) / 28, 'GC', F / ! MVK\n DATA CGRID_INDEX( 32 ), SPECIES_TYPE( 32 ), CONVERT_CONC( 32 ) / 29, 'GC', F / ! GLY\n DATA CGRID_INDEX( 33 ), SPECIES_TYPE( 33 ), CONVERT_CONC( 33 ) / 30, 'GC', F / ! MGLY\n DATA CGRID_INDEX( 34 ), SPECIES_TYPE( 34 ), CONVERT_CONC( 34 ) / 31, 'GC', F / ! DCB1\n DATA CGRID_INDEX( 35 ), SPECIES_TYPE( 35 ), CONVERT_CONC( 35 ) / 32, 'GC', F / ! DCB2\n DATA CGRID_INDEX( 36 ), SPECIES_TYPE( 36 ), CONVERT_CONC( 36 ) / 33, 'GC', F / ! BALD\n DATA CGRID_INDEX( 37 ), SPECIES_TYPE( 37 ), CONVERT_CONC( 37 ) / 34, 'GC', F / ! CHO\n DATA CGRID_INDEX( 38 ), SPECIES_TYPE( 38 ), CONVERT_CONC( 38 ) / 35, 'GC', F / ! OP1\n DATA CGRID_INDEX( 39 ), SPECIES_TYPE( 39 ), CONVERT_CONC( 39 ) / 36, 'GC', F / ! OP2\n DATA CGRID_INDEX( 40 ), SPECIES_TYPE( 40 ), CONVERT_CONC( 40 ) / 37, 'GC', F / ! OPB\n DATA CGRID_INDEX( 41 ), SPECIES_TYPE( 41 ), CONVERT_CONC( 41 ) / 38, 'GC', F / ! OP3\n DATA CGRID_INDEX( 42 ), SPECIES_TYPE( 42 ), CONVERT_CONC( 42 ) / 39, 'GC', F / ! PAA\n DATA CGRID_INDEX( 43 ), SPECIES_TYPE( 43 ), CONVERT_CONC( 43 ) / 40, 'GC', F / ! ONIT\n DATA CGRID_INDEX( 44 ), SPECIES_TYPE( 44 ), CONVERT_CONC( 44 ) / 41, 'GC', F / ! PAN\n DATA CGRID_INDEX( 45 ), SPECIES_TYPE( 45 ), CONVERT_CONC( 45 ) / 42, 'GC', F / ! N2O5\n DATA CGRID_INDEX( 46 ), SPECIES_TYPE( 46 ), CONVERT_CONC( 46 ) / 43, 'GC', F / ! SO2\n DATA CGRID_INDEX( 47 ), SPECIES_TYPE( 47 ), CONVERT_CONC( 47 ) / 44, 'GC', F / ! SULF\n DATA CGRID_INDEX( 48 ), SPECIES_TYPE( 48 ), CONVERT_CONC( 48 ) / 45, 'GC', F / ! SULRXN\n DATA CGRID_INDEX( 49 ), SPECIES_TYPE( 49 ), CONVERT_CONC( 49 ) / 46, 'GC', F / ! ETH\n DATA CGRID_INDEX( 50 ), SPECIES_TYPE( 50 ), CONVERT_CONC( 50 ) / 47, 'GC', F / ! HC3\n DATA CGRID_INDEX( 51 ), SPECIES_TYPE( 51 ), CONVERT_CONC( 51 ) / 48, 'GC', F / ! HC3P\n DATA CGRID_INDEX( 52 ), SPECIES_TYPE( 52 ), CONVERT_CONC( 52 ) / 190, 'AE', T / ! ASOATJ\n DATA CGRID_INDEX( 53 ), SPECIES_TYPE( 53 ), CONVERT_CONC( 53 ) / 49, 'GC', F / ! HC5\n DATA CGRID_INDEX( 54 ), SPECIES_TYPE( 54 ), CONVERT_CONC( 54 ) / 50, 'GC', F / ! HC5P\n DATA CGRID_INDEX( 55 ), SPECIES_TYPE( 55 ), CONVERT_CONC( 55 ) / 54, 'GC', F / ! ETE\n DATA CGRID_INDEX( 56 ), SPECIES_TYPE( 56 ), CONVERT_CONC( 56 ) / 55, 'GC', F / ! ETEP\n DATA CGRID_INDEX( 57 ), SPECIES_TYPE( 57 ), CONVERT_CONC( 57 ) / 56, 'GC', F / ! OLT\n DATA CGRID_INDEX( 58 ), SPECIES_TYPE( 58 ), CONVERT_CONC( 58 ) / 57, 'GC', F / ! OLTP\n DATA CGRID_INDEX( 59 ), SPECIES_TYPE( 59 ), CONVERT_CONC( 59 ) / 58, 'GC', F / ! OLI\n DATA CGRID_INDEX( 60 ), SPECIES_TYPE( 60 ), CONVERT_CONC( 60 ) / 59, 'GC', F / ! OLIP\n DATA CGRID_INDEX( 61 ), SPECIES_TYPE( 61 ), CONVERT_CONC( 61 ) / 60, 'GC', F / ! ACE\n DATA CGRID_INDEX( 62 ), SPECIES_TYPE( 62 ), CONVERT_CONC( 62 ) / 61, 'GC', F / ! ORA1\n DATA CGRID_INDEX( 63 ), SPECIES_TYPE( 63 ), CONVERT_CONC( 63 ) / 62, 'GC', F / ! BEN\n DATA CGRID_INDEX( 64 ), SPECIES_TYPE( 64 ), CONVERT_CONC( 64 ) / 63, 'GC', F / ! BENP\n DATA CGRID_INDEX( 65 ), SPECIES_TYPE( 65 ), CONVERT_CONC( 65 ) / 64, 'GC', F / ! PHEN\n DATA CGRID_INDEX( 66 ), SPECIES_TYPE( 66 ), CONVERT_CONC( 66 ) / 65, 'GC', F / ! TOL\n DATA CGRID_INDEX( 67 ), SPECIES_TYPE( 67 ), CONVERT_CONC( 67 ) / 69, 'GC', F / ! TOLP\n DATA CGRID_INDEX( 68 ), SPECIES_TYPE( 68 ), CONVERT_CONC( 68 ) / 66, 'GC', F / ! CSL\n DATA CGRID_INDEX( 69 ), SPECIES_TYPE( 69 ), CONVERT_CONC( 69 ) / 67, 'GC', F / ! XYM\n DATA CGRID_INDEX( 70 ), SPECIES_TYPE( 70 ), CONVERT_CONC( 70 ) / 70, 'GC', F / ! XYMP\n DATA CGRID_INDEX( 71 ), SPECIES_TYPE( 71 ), CONVERT_CONC( 71 ) / 68, 'GC', F / ! XYE\n DATA CGRID_INDEX( 72 ), SPECIES_TYPE( 72 ), CONVERT_CONC( 72 ) / 71, 'GC', F / ! XYEP\n DATA CGRID_INDEX( 73 ), SPECIES_TYPE( 73 ), CONVERT_CONC( 73 ) / 72, 'GC', F / ! ISO\n DATA CGRID_INDEX( 74 ), SPECIES_TYPE( 74 ), CONVERT_CONC( 74 ) / 115, 'GC', F / ! INO2\n DATA CGRID_INDEX( 75 ), SPECIES_TYPE( 75 ), CONVERT_CONC( 75 ) / 114, 'GC', F / ! NALD\n DATA CGRID_INDEX( 76 ), SPECIES_TYPE( 76 ), CONVERT_CONC( 76 ) / 73, 'GC', F / ! ISOP\n DATA CGRID_INDEX( 77 ), SPECIES_TYPE( 77 ), CONVERT_CONC( 77 ) / 106, 'GC', F / ! ISHP\n DATA CGRID_INDEX( 78 ), SPECIES_TYPE( 78 ), CONVERT_CONC( 78 ) / 116, 'GC', F / ! ISON\n DATA CGRID_INDEX( 79 ), SPECIES_TYPE( 79 ), CONVERT_CONC( 79 ) / 117, 'GC', F / ! IPN\n DATA CGRID_INDEX( 80 ), SPECIES_TYPE( 80 ), CONVERT_CONC( 80 ) / 107, 'GC', F / ! IEPOX\n DATA CGRID_INDEX( 81 ), SPECIES_TYPE( 81 ), CONVERT_CONC( 81 ) / 118, 'GC', F / ! IPC\n DATA CGRID_INDEX( 82 ), SPECIES_TYPE( 82 ), CONVERT_CONC( 82 ) / 104, 'GC', F / ! ROH\n DATA CGRID_INDEX( 83 ), SPECIES_TYPE( 83 ), CONVERT_CONC( 83 ) / 74, 'GC', F / ! API\n DATA CGRID_INDEX( 84 ), SPECIES_TYPE( 84 ), CONVERT_CONC( 84 ) / 75, 'GC', F / ! APIP1\n DATA CGRID_INDEX( 85 ), SPECIES_TYPE( 85 ), CONVERT_CONC( 85 ) / 76, 'GC', F / ! APIP2\n DATA CGRID_INDEX( 86 ), SPECIES_TYPE( 86 ), CONVERT_CONC( 86 ) / 81, 'GC', F / ! LIM\n DATA CGRID_INDEX( 87 ), SPECIES_TYPE( 87 ), CONVERT_CONC( 87 ) / 82, 'GC', F / ! LIMP1\n DATA CGRID_INDEX( 88 ), SPECIES_TYPE( 88 ), CONVERT_CONC( 88 ) / 83, 'GC', F / ! LIMP2\n DATA CGRID_INDEX( 89 ), SPECIES_TYPE( 89 ), CONVERT_CONC( 89 ) / 80, 'GC', F / ! PINALP\n DATA CGRID_INDEX( 90 ), SPECIES_TYPE( 90 ), CONVERT_CONC( 90 ) / 90, 'GC', F / ! RCO3\n DATA CGRID_INDEX( 91 ), SPECIES_TYPE( 91 ), CONVERT_CONC( 91 ) / 87, 'GC', F / ! LIMALP\n DATA CGRID_INDEX( 92 ), SPECIES_TYPE( 92 ), CONVERT_CONC( 92 ) / 91, 'GC', F / ! ACTP\n DATA CGRID_INDEX( 93 ), SPECIES_TYPE( 93 ), CONVERT_CONC( 93 ) / 92, 'GC', F / ! MEKP\n DATA CGRID_INDEX( 94 ), SPECIES_TYPE( 94 ), CONVERT_CONC( 94 ) / 93, 'GC', F / ! KETP\n DATA CGRID_INDEX( 95 ), SPECIES_TYPE( 95 ), CONVERT_CONC( 95 ) / 94, 'GC', F / ! MCP\n DATA CGRID_INDEX( 96 ), SPECIES_TYPE( 96 ), CONVERT_CONC( 96 ) / 95, 'GC', F / ! MVKP\n DATA CGRID_INDEX( 97 ), SPECIES_TYPE( 97 ), CONVERT_CONC( 97 ) / 96, 'GC', F / ! UALP\n DATA CGRID_INDEX( 98 ), SPECIES_TYPE( 98 ), CONVERT_CONC( 98 ) / 97, 'GC', F / ! DCB3\n DATA CGRID_INDEX( 99 ), SPECIES_TYPE( 99 ), CONVERT_CONC( 99 ) / 98, 'GC', F / ! BALP\n DATA CGRID_INDEX( 100 ), SPECIES_TYPE( 100 ), CONVERT_CONC( 100 ) / 99, 'GC', F / ! ADDC\n DATA CGRID_INDEX( 101 ), SPECIES_TYPE( 101 ), CONVERT_CONC( 101 ) / 100, 'GC', F / ! MCT\n DATA CGRID_INDEX( 102 ), SPECIES_TYPE( 102 ), CONVERT_CONC( 102 ) / 101, 'GC', F / ! MCTO\n DATA CGRID_INDEX( 103 ), SPECIES_TYPE( 103 ), CONVERT_CONC( 103 ) / 102, 'GC', F / ! MOH\n DATA CGRID_INDEX( 104 ), SPECIES_TYPE( 104 ), CONVERT_CONC( 104 ) / 103, 'GC', F / ! EOH\n DATA CGRID_INDEX( 105 ), SPECIES_TYPE( 105 ), CONVERT_CONC( 105 ) / 105, 'GC', F / ! ETEG\n DATA CGRID_INDEX( 106 ), SPECIES_TYPE( 106 ), CONVERT_CONC( 106 ) / 109, 'GC', F / ! MAHP\n DATA CGRID_INDEX( 107 ), SPECIES_TYPE( 107 ), CONVERT_CONC( 107 ) / 110, 'GC', F / ! ORA2\n DATA CGRID_INDEX( 108 ), SPECIES_TYPE( 108 ), CONVERT_CONC( 108 ) / 111, 'GC', F / ! ORAP\n DATA CGRID_INDEX( 109 ), SPECIES_TYPE( 109 ), CONVERT_CONC( 109 ) / 112, 'GC', F / ! PPN\n DATA CGRID_INDEX( 110 ), SPECIES_TYPE( 110 ), CONVERT_CONC( 110 ) / 113, 'GC', F / ! MPAN\n DATA CGRID_INDEX( 111 ), SPECIES_TYPE( 111 ), CONVERT_CONC( 111 ) / 119, 'GC', F / ! TRPN\n DATA CGRID_INDEX( 112 ), SPECIES_TYPE( 112 ), CONVERT_CONC( 112 ) / 88, 'GC', F / ! HOM\n DATA CGRID_INDEX( 113 ), SPECIES_TYPE( 113 ), CONVERT_CONC( 113 ) / 120, 'GC', F / ! MCTP\n DATA CGRID_INDEX( 114 ), SPECIES_TYPE( 114 ), CONVERT_CONC( 114 ) / 121, 'GC', F / ! OLNN\n DATA CGRID_INDEX( 115 ), SPECIES_TYPE( 115 ), CONVERT_CONC( 115 ) / 122, 'GC', F / ! OLND\n DATA CGRID_INDEX( 116 ), SPECIES_TYPE( 116 ), CONVERT_CONC( 116 ) / 77, 'GC', F / ! APINP1\n DATA CGRID_INDEX( 117 ), SPECIES_TYPE( 117 ), CONVERT_CONC( 117 ) / 78, 'GC', F / ! APINP2\n DATA CGRID_INDEX( 118 ), SPECIES_TYPE( 118 ), CONVERT_CONC( 118 ) / 84, 'GC', F / ! LIMNP1\n DATA CGRID_INDEX( 119 ), SPECIES_TYPE( 119 ), CONVERT_CONC( 119 ) / 85, 'GC', F / ! LIMNP2\n DATA CGRID_INDEX( 120 ), SPECIES_TYPE( 120 ), CONVERT_CONC( 120 ) / 123, 'GC', F / ! ADCN\n DATA CGRID_INDEX( 121 ), SPECIES_TYPE( 121 ), CONVERT_CONC( 121 ) / 177, 'GC', F / ! VROCP4OXY2\n DATA CGRID_INDEX( 122 ), SPECIES_TYPE( 122 ), CONVERT_CONC( 122 ) / 170, 'GC', F / ! VROCN1OXY6\n DATA CGRID_INDEX( 123 ), SPECIES_TYPE( 123 ), CONVERT_CONC( 123 ) / 132, 'GC', F / ! FURANONE\n DATA CGRID_INDEX( 124 ), SPECIES_TYPE( 124 ), CONVERT_CONC( 124 ) / 176, 'GC', F / ! VROCP3OXY2\n DATA CGRID_INDEX( 125 ), SPECIES_TYPE( 125 ), CONVERT_CONC( 125 ) / 172, 'GC', F / ! VROCP0OXY4\n DATA CGRID_INDEX( 126 ), SPECIES_TYPE( 126 ), CONVERT_CONC( 126 ) / 124, 'GC', F / ! BAL1\n DATA CGRID_INDEX( 127 ), SPECIES_TYPE( 127 ), CONVERT_CONC( 127 ) / 125, 'GC', F / ! BAL2\n DATA CGRID_INDEX( 128 ), SPECIES_TYPE( 128 ), CONVERT_CONC( 128 ) / 89, 'GC', F / ! ELHOM\n DATA CGRID_INDEX( 129 ), SPECIES_TYPE( 129 ), CONVERT_CONC( 129 ) / 133, 'GC', F / ! VROCIOXY\n DATA CGRID_INDEX( 130 ), SPECIES_TYPE( 130 ), CONVERT_CONC( 130 ) / 134, 'GC', F / ! SLOWROC\n DATA CGRID_INDEX( 131 ), SPECIES_TYPE( 131 ), CONVERT_CONC( 131 ) / 126, 'GC', F / ! ACRO\n DATA CGRID_INDEX( 132 ), SPECIES_TYPE( 132 ), CONVERT_CONC( 132 ) / 127, 'GC', F / ! BDE13\n DATA CGRID_INDEX( 133 ), SPECIES_TYPE( 133 ), CONVERT_CONC( 133 ) / 128, 'GC', F / ! BDE13P\n DATA CGRID_INDEX( 134 ), SPECIES_TYPE( 134 ), CONVERT_CONC( 134 ) / 130, 'GC', F / ! FURAN\n DATA CGRID_INDEX( 135 ), SPECIES_TYPE( 135 ), CONVERT_CONC( 135 ) / 131, 'GC', F / ! FURANO2\n DATA CGRID_INDEX( 136 ), SPECIES_TYPE( 136 ), CONVERT_CONC( 136 ) / 129, 'GC', F / ! PROG\n DATA CGRID_INDEX( 137 ), SPECIES_TYPE( 137 ), CONVERT_CONC( 137 ) / 135, 'GC', F / ! SESQ\n DATA CGRID_INDEX( 138 ), SPECIES_TYPE( 138 ), CONVERT_CONC( 138 ) / 137, 'GC', F / ! SESQNRO2\n DATA CGRID_INDEX( 139 ), SPECIES_TYPE( 139 ), CONVERT_CONC( 139 ) / 165, 'GC', F / ! VROCN2OXY2\n DATA CGRID_INDEX( 140 ), SPECIES_TYPE( 140 ), CONVERT_CONC( 140 ) / 136, 'GC', F / ! SESQRO2\n DATA CGRID_INDEX( 141 ), SPECIES_TYPE( 141 ), CONVERT_CONC( 141 ) / 171, 'GC', F / ! VROCP0OXY2\n DATA CGRID_INDEX( 142 ), SPECIES_TYPE( 142 ), CONVERT_CONC( 142 ) / 174, 'GC', F / ! VROCP1OXY3\n DATA CGRID_INDEX( 143 ), SPECIES_TYPE( 143 ), CONVERT_CONC( 143 ) / 191, 'AE', T / ! AGLYJ\n DATA CGRID_INDEX( 144 ), SPECIES_TYPE( 144 ), CONVERT_CONC( 144 ) / 108, 'GC', F / ! IEPOXP\n DATA CGRID_INDEX( 145 ), SPECIES_TYPE( 145 ), CONVERT_CONC( 145 ) / 265, 'AE', T / ! AISO3NOSJ\n DATA CGRID_INDEX( 146 ), SPECIES_TYPE( 146 ), CONVERT_CONC( 146 ) / 182, 'AE', T / ! ASO4J\n DATA CGRID_INDEX( 147 ), SPECIES_TYPE( 147 ), CONVERT_CONC( 147 ) / 266, 'AE', T / ! AISO3OSJ\n DATA CGRID_INDEX( 148 ), SPECIES_TYPE( 148 ), CONVERT_CONC( 148 ) / 152, 'GC', F / ! VROCP6ALK\n DATA CGRID_INDEX( 149 ), SPECIES_TYPE( 149 ), CONVERT_CONC( 149 ) / 158, 'GC', F / ! VROCP6ALKP\n DATA CGRID_INDEX( 150 ), SPECIES_TYPE( 150 ), CONVERT_CONC( 150 ) / 151, 'GC', F / ! VROCP5ALK\n DATA CGRID_INDEX( 151 ), SPECIES_TYPE( 151 ), CONVERT_CONC( 151 ) / 157, 'GC', F / ! VROCP5ALKP\n DATA CGRID_INDEX( 152 ), SPECIES_TYPE( 152 ), CONVERT_CONC( 152 ) / 150, 'GC', F / ! VROCP4ALK\n DATA CGRID_INDEX( 153 ), SPECIES_TYPE( 153 ), CONVERT_CONC( 153 ) / 156, 'GC', F / ! VROCP4ALKP\n DATA CGRID_INDEX( 154 ), SPECIES_TYPE( 154 ), CONVERT_CONC( 154 ) / 149, 'GC', F / ! VROCP3ALK\n DATA CGRID_INDEX( 155 ), SPECIES_TYPE( 155 ), CONVERT_CONC( 155 ) / 155, 'GC', F / ! VROCP3ALKP\n DATA CGRID_INDEX( 156 ), SPECIES_TYPE( 156 ), CONVERT_CONC( 156 ) / 148, 'GC', F / ! VROCP2ALK\n DATA CGRID_INDEX( 157 ), SPECIES_TYPE( 157 ), CONVERT_CONC( 157 ) / 154, 'GC', F / ! VROCP2ALKP\n DATA CGRID_INDEX( 158 ), SPECIES_TYPE( 158 ), CONVERT_CONC( 158 ) / 147, 'GC', F / ! VROCP1ALK\n DATA CGRID_INDEX( 159 ), SPECIES_TYPE( 159 ), CONVERT_CONC( 159 ) / 153, 'GC', F / ! VROCP1ALKP\n DATA CGRID_INDEX( 160 ), SPECIES_TYPE( 160 ), CONVERT_CONC( 160 ) / 51, 'GC', F / ! HC10\n DATA CGRID_INDEX( 161 ), SPECIES_TYPE( 161 ), CONVERT_CONC( 161 ) / 164, 'GC', F / ! VROCP6ALKP2\n DATA CGRID_INDEX( 162 ), SPECIES_TYPE( 162 ), CONVERT_CONC( 162 ) / 163, 'GC', F / ! VROCP5ALKP2\n DATA CGRID_INDEX( 163 ), SPECIES_TYPE( 163 ), CONVERT_CONC( 163 ) / 162, 'GC', F / ! VROCP4ALKP2\n DATA CGRID_INDEX( 164 ), SPECIES_TYPE( 164 ), CONVERT_CONC( 164 ) / 175, 'GC', F / ! VROCP2OXY2\n DATA CGRID_INDEX( 165 ), SPECIES_TYPE( 165 ), CONVERT_CONC( 165 ) / 161, 'GC', F / ! VROCP3ALKP2\n DATA CGRID_INDEX( 166 ), SPECIES_TYPE( 166 ), CONVERT_CONC( 166 ) / 173, 'GC', F / ! VROCP1OXY1\n DATA CGRID_INDEX( 167 ), SPECIES_TYPE( 167 ), CONVERT_CONC( 167 ) / 160, 'GC', F / ! VROCP2ALKP2\n DATA CGRID_INDEX( 168 ), SPECIES_TYPE( 168 ), CONVERT_CONC( 168 ) / 159, 'GC', F / ! VROCP1ALKP2\n DATA CGRID_INDEX( 169 ), SPECIES_TYPE( 169 ), CONVERT_CONC( 169 ) / 168, 'GC', F / ! VROCN1OXY1\n DATA CGRID_INDEX( 170 ), SPECIES_TYPE( 170 ), CONVERT_CONC( 170 ) / 53, 'GC', F / ! HC10P2\n DATA CGRID_INDEX( 171 ), SPECIES_TYPE( 171 ), CONVERT_CONC( 171 ) / 141, 'GC', F / ! VROCP6ARO\n DATA CGRID_INDEX( 172 ), SPECIES_TYPE( 172 ), CONVERT_CONC( 172 ) / 143, 'GC', F / ! VROCP6AROP\n DATA CGRID_INDEX( 173 ), SPECIES_TYPE( 173 ), CONVERT_CONC( 173 ) / 166, 'GC', F / ! VROCN2OXY4\n DATA CGRID_INDEX( 174 ), SPECIES_TYPE( 174 ), CONVERT_CONC( 174 ) / 169, 'GC', F / ! VROCN1OXY3\n DATA CGRID_INDEX( 175 ), SPECIES_TYPE( 175 ), CONVERT_CONC( 175 ) / 140, 'GC', F / ! VROCP5ARO\n DATA CGRID_INDEX( 176 ), SPECIES_TYPE( 176 ), CONVERT_CONC( 176 ) / 142, 'GC', F / ! VROCP5AROP\n DATA CGRID_INDEX( 177 ), SPECIES_TYPE( 177 ), CONVERT_CONC( 177 ) / 138, 'GC', F / ! NAPH\n DATA CGRID_INDEX( 178 ), SPECIES_TYPE( 178 ), CONVERT_CONC( 178 ) / 139, 'GC', F / ! NAPHP\n DATA CGRID_INDEX( 179 ), SPECIES_TYPE( 179 ), CONVERT_CONC( 179 ) / 167, 'GC', F / ! VROCN2OXY8\n DATA CGRID_INDEX( 180 ), SPECIES_TYPE( 180 ), CONVERT_CONC( 180 ) / 178, 'GC', F / ! VROCP5OXY1\n DATA CGRID_INDEX( 181 ), SPECIES_TYPE( 181 ), CONVERT_CONC( 181 ) / 179, 'GC', F / ! VROCP6OXY1\n\n! The below integers define the locations of mechanism species in the solver\n! concentration array.\n\n INTEGER :: INDEX_O3 = 1\n INTEGER :: INDEX_O3P = 2\n INTEGER :: INDEX_O1D = 3\n INTEGER :: INDEX_H2O2 = 4\n INTEGER :: INDEX_HO = 5\n INTEGER :: INDEX_NO2 = 6\n INTEGER :: INDEX_NO = 7\n INTEGER :: INDEX_NO3 = 8\n INTEGER :: INDEX_HONO = 9\n INTEGER :: INDEX_HNO3 = 10\n INTEGER :: INDEX_HNO4 = 11\n INTEGER :: INDEX_HO2 = 12\n INTEGER :: INDEX_HCHO = 13\n INTEGER :: INDEX_CO = 14\n INTEGER :: INDEX_ACD = 15\n INTEGER :: INDEX_MO2 = 16\n INTEGER :: INDEX_ALD = 17\n INTEGER :: INDEX_ETHP = 18\n INTEGER :: INDEX_ACT = 19\n INTEGER :: INDEX_ACO3 = 20\n INTEGER :: INDEX_UALD = 21\n INTEGER :: INDEX_KET = 22\n INTEGER :: INDEX_PINAL = 23\n INTEGER :: INDEX_HC10P = 24\n INTEGER :: INDEX_LIMAL = 25\n INTEGER :: INDEX_MEK = 26\n INTEGER :: INDEX_HKET = 27\n INTEGER :: INDEX_MACR = 28\n INTEGER :: INDEX_MACP = 29\n INTEGER :: INDEX_XO2 = 30\n INTEGER :: INDEX_MVK = 31\n INTEGER :: INDEX_GLY = 32\n INTEGER :: INDEX_MGLY = 33\n INTEGER :: INDEX_DCB1 = 34\n INTEGER :: INDEX_DCB2 = 35\n INTEGER :: INDEX_BALD = 36\n INTEGER :: INDEX_CHO = 37\n INTEGER :: INDEX_OP1 = 38\n INTEGER :: INDEX_OP2 = 39\n INTEGER :: INDEX_OPB = 40\n INTEGER :: INDEX_OP3 = 41\n INTEGER :: INDEX_PAA = 42\n INTEGER :: INDEX_ONIT = 43\n INTEGER :: INDEX_PAN = 44\n INTEGER :: INDEX_N2O5 = 45\n INTEGER :: INDEX_SO2 = 46\n INTEGER :: INDEX_SULF = 47\n INTEGER :: INDEX_SULRXN = 48\n INTEGER :: INDEX_ETH = 49\n INTEGER :: INDEX_HC3 = 50\n INTEGER :: INDEX_HC3P = 51\n INTEGER :: INDEX_ASOATJ = 52\n INTEGER :: INDEX_HC5 = 53\n INTEGER :: INDEX_HC5P = 54\n INTEGER :: INDEX_ETE = 55\n INTEGER :: INDEX_ETEP = 56\n INTEGER :: INDEX_OLT = 57\n INTEGER :: INDEX_OLTP = 58\n INTEGER :: INDEX_OLI = 59\n INTEGER :: INDEX_OLIP = 60\n INTEGER :: INDEX_ACE = 61\n INTEGER :: INDEX_ORA1 = 62\n INTEGER :: INDEX_BEN = 63\n INTEGER :: INDEX_BENP = 64\n INTEGER :: INDEX_PHEN = 65\n INTEGER :: INDEX_TOL = 66\n INTEGER :: INDEX_TOLP = 67\n INTEGER :: INDEX_CSL = 68\n INTEGER :: INDEX_XYM = 69\n INTEGER :: INDEX_XYMP = 70\n INTEGER :: INDEX_XYE = 71\n INTEGER :: INDEX_XYEP = 72\n INTEGER :: INDEX_ISO = 73\n INTEGER :: INDEX_INO2 = 74\n INTEGER :: INDEX_NALD = 75\n INTEGER :: INDEX_ISOP = 76\n INTEGER :: INDEX_ISHP = 77\n INTEGER :: INDEX_ISON = 78\n INTEGER :: INDEX_IPN = 79\n INTEGER :: INDEX_IEPOX = 80\n INTEGER :: INDEX_IPC = 81\n INTEGER :: INDEX_ROH = 82\n INTEGER :: INDEX_API = 83\n INTEGER :: INDEX_APIP1 = 84\n INTEGER :: INDEX_APIP2 = 85\n INTEGER :: INDEX_LIM = 86\n INTEGER :: INDEX_LIMP1 = 87\n INTEGER :: INDEX_LIMP2 = 88\n INTEGER :: INDEX_PINALP = 89\n INTEGER :: INDEX_RCO3 = 90\n INTEGER :: INDEX_LIMALP = 91\n INTEGER :: INDEX_ACTP = 92\n INTEGER :: INDEX_MEKP = 93\n INTEGER :: INDEX_KETP = 94\n INTEGER :: INDEX_MCP = 95\n INTEGER :: INDEX_MVKP = 96\n INTEGER :: INDEX_UALP = 97\n INTEGER :: INDEX_DCB3 = 98\n INTEGER :: INDEX_BALP = 99\n INTEGER :: INDEX_ADDC = 100\n INTEGER :: INDEX_MCT = 101\n INTEGER :: INDEX_MCTO = 102\n INTEGER :: INDEX_MOH = 103\n INTEGER :: INDEX_EOH = 104\n INTEGER :: INDEX_ETEG = 105\n INTEGER :: INDEX_MAHP = 106\n INTEGER :: INDEX_ORA2 = 107\n INTEGER :: INDEX_ORAP = 108\n INTEGER :: INDEX_PPN = 109\n INTEGER :: INDEX_MPAN = 110\n INTEGER :: INDEX_TRPN = 111\n INTEGER :: INDEX_HOM = 112\n INTEGER :: INDEX_MCTP = 113\n INTEGER :: INDEX_OLNN = 114\n INTEGER :: INDEX_OLND = 115\n INTEGER :: INDEX_APINP1 = 116\n INTEGER :: INDEX_APINP2 = 117\n INTEGER :: INDEX_LIMNP1 = 118\n INTEGER :: INDEX_LIMNP2 = 119\n INTEGER :: INDEX_ADCN = 120\n INTEGER :: INDEX_VROCP4OXY2 = 121\n INTEGER :: INDEX_VROCN1OXY6 = 122\n INTEGER :: INDEX_FURANONE = 123\n INTEGER :: INDEX_VROCP3OXY2 = 124\n INTEGER :: INDEX_VROCP0OXY4 = 125\n INTEGER :: INDEX_BAL1 = 126\n INTEGER :: INDEX_BAL2 = 127\n INTEGER :: INDEX_ELHOM = 128\n INTEGER :: INDEX_VROCIOXY = 129\n INTEGER :: INDEX_SLOWROC = 130\n INTEGER :: INDEX_ACRO = 131\n INTEGER :: INDEX_BDE13 = 132\n INTEGER :: INDEX_BDE13P = 133\n INTEGER :: INDEX_FURAN = 134\n INTEGER :: INDEX_FURANO2 = 135\n INTEGER :: INDEX_PROG = 136\n INTEGER :: INDEX_SESQ = 137\n INTEGER :: INDEX_SESQNRO2 = 138\n INTEGER :: INDEX_VROCN2OXY2 = 139\n INTEGER :: INDEX_SESQRO2 = 140\n INTEGER :: INDEX_VROCP0OXY2 = 141\n INTEGER :: INDEX_VROCP1OXY3 = 142\n INTEGER :: INDEX_AGLYJ = 143\n INTEGER :: INDEX_IEPOXP = 144\n INTEGER :: INDEX_AISO3NOSJ = 145\n INTEGER :: INDEX_ASO4J = 146\n INTEGER :: INDEX_AISO3OSJ = 147\n INTEGER :: INDEX_VROCP6ALK = 148\n INTEGER :: INDEX_VROCP6ALKP = 149\n INTEGER :: INDEX_VROCP5ALK = 150\n INTEGER :: INDEX_VROCP5ALKP = 151\n INTEGER :: INDEX_VROCP4ALK = 152\n INTEGER :: INDEX_VROCP4ALKP = 153\n INTEGER :: INDEX_VROCP3ALK = 154\n INTEGER :: INDEX_VROCP3ALKP = 155\n INTEGER :: INDEX_VROCP2ALK = 156\n INTEGER :: INDEX_VROCP2ALKP = 157\n INTEGER :: INDEX_VROCP1ALK = 158\n INTEGER :: INDEX_VROCP1ALKP = 159\n INTEGER :: INDEX_HC10 = 160\n INTEGER :: INDEX_VROCP6ALKP2 = 161\n INTEGER :: INDEX_VROCP5ALKP2 = 162\n INTEGER :: INDEX_VROCP4ALKP2 = 163\n INTEGER :: INDEX_VROCP2OXY2 = 164\n INTEGER :: INDEX_VROCP3ALKP2 = 165\n INTEGER :: INDEX_VROCP1OXY1 = 166\n INTEGER :: INDEX_VROCP2ALKP2 = 167\n INTEGER :: INDEX_VROCP1ALKP2 = 168\n INTEGER :: INDEX_VROCN1OXY1 = 169\n INTEGER :: INDEX_HC10P2 = 170\n INTEGER :: INDEX_VROCP6ARO = 171\n INTEGER :: INDEX_VROCP6AROP = 172\n INTEGER :: INDEX_VROCN2OXY4 = 173\n INTEGER :: INDEX_VROCN1OXY3 = 174\n INTEGER :: INDEX_VROCP5ARO = 175\n INTEGER :: INDEX_VROCP5AROP = 176\n INTEGER :: INDEX_NAPH = 177\n INTEGER :: INDEX_NAPHP = 178\n INTEGER :: INDEX_VROCN2OXY8 = 179\n INTEGER :: INDEX_VROCP5OXY1 = 180\n INTEGER :: INDEX_VROCP6OXY1 = 181\n\n INTEGER, PARAMETER :: N_ACT_SP = 181\n\n INTEGER, PARAMETER :: NRXNS = 516\n\n INTEGER, PARAMETER :: ONE_REACT_REACTIONS = 0\n\n INTEGER, PARAMETER :: TWO_REACT_REACTIONS = 0\n\n INTEGER, PARAMETER :: THREE_REACT_REACTIONS = 0\n\n INTEGER, PARAMETER :: ZERO_REACT_REACTIONS = 0\n\n LOGICAL, PARAMETER :: UNITARY_REACTIONS = .FALSE.\n\n INTEGER, PARAMETER :: ONE_REACT_START = 0\n\n INTEGER, PARAMETER :: ONE_REACT_STOP = -1\n\n LOGICAL, PARAMETER :: BINARY_REACTIONS = .FALSE.\n\n INTEGER, PARAMETER :: TWO_REACT_START = 0\n\n INTEGER, PARAMETER :: TWO_REACT_STOP = -1\n\n LOGICAL, PARAMETER :: TERNARY_REACTIONS = .FALSE.\n\n INTEGER, PARAMETER :: THREE_REACT_START = 0\n\n INTEGER, PARAMETER :: THREE_REACT_STOP = -1\n\n LOGICAL, PARAMETER :: NULL_REACTIONS = .FALSE.\n\n INTEGER, PARAMETER :: ZERO_REACT_START = 0\n\n INTEGER, PARAMETER :: ZERO_REACT_STOP = -1\n\n INTEGER, PARAMETER :: NSUNLIGHT_RXNS = 41\n\n INTEGER, PARAMETER :: NTHERMAL_RXNS = 475\n\n INTEGER, PARAMETER :: KUNITS = 2\n\n INTEGER :: IRXXN\n\n INTEGER, PARAMETER :: NMPHOT = 40\n INTEGER :: IPH( NMPHOT,3 )\n\n DATA ( IPH( IRXXN,1 ), IRXXN = 1, NMPHOT ) / & \n & 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, & \n & 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, & \n & 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, & \n & 31, 32, 33, 34, 35, 36, 37, 38, 99, 394/\n\n DATA ( IPH( IRXXN,2 ), IRXXN = 1, NMPHOT ) / & \n & 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, & \n & 11, 12, 13, 14, 15, 16, 13, 13, 17, 18, & \n & 19, 20, 21, 22, 23, 24, 25, 25, 25, 26, & \n & 27, 27, 27, 27, 28, 29, 30, 31, 32, 33/\n\n DATA ( IPH( IRXXN,3 ), IRXXN = 1, NMPHOT ) / & \n & 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, & \n & 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, & \n & 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, & \n & 31, 32, 33, 34, 35, 36, 37, 38, 39, 40/\n\n REAL( 8 ) :: RTDAT( 3,NRXNS )\n\n INTEGER, PARAMETER :: NFALLOFF = 17\n REAL( 8 ) :: RFDAT( 5,NFALLOFF )\n\n INTEGER :: KTYPE( NRXNS )\n\n DATA ( KTYPE( IRXXN ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 3, 3, & ! 3 \n & 3, 3, 2, 3, 3, 3, 3, 3, 3, 9, & ! 4 \n & 9, 3, 10, 10, 3, 9, 3, 3, 3, 10, & ! 5 \n & 10, 8, 1, 1, 3, 3, 3, 10, 5, 1, & ! 6 \n & 10, 5, 3, 10, 9, 3, 3, 3, 3, 10, & ! 7 \n & 3, 3, 10, 3, 3, 1, 1, 3, 3, 3, & ! 8 \n & 3, 3, 3, 3, 3, 3, 3, 3, 0, 1, & ! 9 \n & 1, 1, 1, 3, 3, 3, 1, 3, 3, 3, & ! O \n & 4, 3, 3, 1, 3, 3, 3, 1, 3, 3, & ! 1 \n & 3, 1, 3, 3, 3, 3, 3, 3, 3, 1, & ! 2 \n & 3, 3, 3, 3, 1, 1, 3, 3, 1, 1, & ! 3 \n & 1, 3, 1, 3, 3, 3, 3, 3, 1, 1, & ! 4 \n & 3, 3, 1, 1, 1, 1, 1, 4, 3, 3, & ! 5 \n & 3, 1, 3, 3, 3, 3, 1, 3, 3, 3, & ! 6 \n & 1, 1, 1, 3, 1, 1, 10, 5, 10, 5, & ! 7 \n & 3, 3, 3, 3, 1, 1, 1, 1, 1, 3, & ! 8 \n & 3, 3, 3, 1, 1, 1, 1, 1, 1, 1, & ! 9 \n & 1, 3, 3, 3, 3, 3, 1, 1, 3, 3, & ! O \n & 3, 3, 1, 1, 3, 3, 1, 1, 1, 3, & ! 1 \n & 1, 1, 1, 1, 3, 3, 3, 3, 3, 3, & ! 2 \n & 3, 3, 3, 3, 3, 1, 1, 1, 1, 1, & ! 3 \n & 1, 1, 1, 3, 3, 3, 3, 3, 3, 3, & ! 4 \n & 3, 3, 3, 3, 3, 1, 3, 3, 3, 3, & ! 5 \n & 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, & ! 6 \n & 3, 3, 3, 3, 3, 1, 3, 1, 3, 1, & ! 7 \n & 3, 1, 3, 3, 3, 3, 3, 3, 3, 1, & ! 8 \n & 3, 3, 3, 3, 3, 3, 3, 3, 1, 3, & ! 9 \n & 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, & ! O \n & 3, 3, 1, 3, 1, 3, 1, 3, 1, 3, & ! 1 \n & 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, & ! 2 \n & 3, 3, 3, 3, 3, 3, 3, 3, 1, 1, & ! 3 \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! 4 \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! 5 \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 3, & ! 6 \n & 3, 3, 1, 3, 3, 1, 1, 1, 1, 1, & ! 7 \n & 1, 1, 1, 1, 1, 1, 1, 3, 1, 1, & ! 8 \n & 3, 1, 1, 0, 3, 1, 1, 1, 1, 1, & ! 9 \n & 3, 1, 1, 3, 3, 1, 1, 1, 1, 1, & ! O \n & 3, 3, 1, 1, 1, 3, 1, 3, -1, -1, & ! 1 \n & -1, -1, 12, -1, -1, -1, 1, 1, 1, 1, & ! 2 \n & 1, 1, 1, 3, 3, 3, 3, 3, 3, 3, & ! 3 \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! 4 \n & 1, 1, 1, 3, 1, 1, 1, 1, 1, 1, & ! 5 \n & 1, 3, 3, 3, 3, 3, 3, 3, 1, 1, & ! 6 \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! 7 \n & 1, 3, 1, 3, 3, 1, 3, 3, 1, 3, & ! 8 \n & 3, 1, 3, 3, 1, 3, 3, 1, 3, 3, & ! 9 \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! O \n & 1, 1, 1, 1, 1, 1/ ! 1 \n\n INTEGER :: IRXBITS( NRXNS )\n\n DATA ( IRXBITS( IRXXN ), IRXXN = 1, NRXNS ) / & \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 1 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 2 \n & 2, 2, 2, 2, 2, 2, 2, 2, 0, 0, & ! 3 \n & 0, 0, 20, 0, 16, 32, 8, 128, 0, 0, & ! 4 \n & 8, 0, 1, 1, 0, 0, 16, 0, 0, 1, & ! 5 \n & 1, 0, 0, 0, 0, 0, 0, 1, 0, 8, & ! 6 \n & 1, 0, 0, 1, 0, 64, 0, 0, 0, 1, & ! 7 \n & 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, & ! 1 \n & 1, 1, 2, 1, 1, 1, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0/ ! 1 \n\n INTEGER, PARAMETER :: NTERMS_JACOB = 32761\n\n INTEGER, PARAMETER :: NSTEPS_JACOB = 1032\n\n INTEGER :: IORDER( NRXNS )\n\n DATA ( IORDER( IRXXN ), IRXXN = 1, NRXNS ) / & \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! O \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! 1 \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! 2 \n & 1, 1, 1, 1, 1, 1, 1, 1, 2, 2, & ! 3 \n & 2, 2, 3, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 3, 2, 2, 2, 2, 2, 3, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 2, 2, 2, 2, 1, 2, & ! 6 \n & 2, 1, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 2, 2, 1, 2, & ! 9 \n & 2, 2, 1, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 1 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 2 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 1, 1, 2, 1, 2, 1, & ! 7 \n & 2, 1, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 9 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 1 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 2 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 9 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 1 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 2 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 1, 2, 2, 2, 2, 2, 2, & ! 9 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 2, 2, 2, 2, 1, 1, & ! 1 \n & 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, & ! 2 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 1, 1, 1, 1, 1, 1, & ! 5 \n & 1, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 9 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 2, 2/ ! 1 \n\n INTEGER, PARAMETER :: KTN1 = 203\n INTEGER :: KRX1( KTN1 )\n\n DATA ( KRX1( IRXXN ), IRXXN = 1, KTN1 ) / & \n & 63, 64, 70, 86, 87, 100, 101, 102, 103, 107, & ! O \n & 114, 118, 122, 130, 135, 136, 139, 140, 141, 143, & ! 1 \n & 149, 150, 153, 154, 155, 156, 157, 162, 167, 171, & ! 2 \n & 172, 173, 175, 176, 185, 186, 187, 188, 189, 194, & ! 3 \n & 195, 196, 197, 198, 199, 200, 201, 207, 208, 213, & ! 4 \n & 214, 217, 218, 219, 221, 222, 223, 224, 236, 237, & ! 5 \n & 238, 239, 240, 241, 242, 243, 256, 276, 278, 280, & ! 6 \n & 282, 290, 299, 313, 315, 317, 319, 339, 340, 341, & ! 7 \n & 342, 343, 344, 345, 346, 347, 348, 349, 350, 351, & ! 8 \n & 352, 353, 354, 355, 356, 357, 358, 359, 360, 361, & ! 9 \n & 362, 363, 364, 365, 366, 367, 368, 369, 373, 376, & ! O \n & 377, 378, 379, 380, 381, 382, 383, 384, 385, 386, & ! 1 \n & 387, 389, 390, 392, 393, 396, 397, 398, 399, 400, & ! 2 \n & 402, 403, 406, 407, 408, 409, 410, 413, 414, 415, & ! 3 \n & 417, 427, 428, 429, 430, 431, 432, 433, 441, 442, & ! 4 \n & 443, 444, 445, 446, 447, 448, 449, 450, 451, 452, & ! 5 \n & 453, 455, 456, 457, 458, 459, 460, 461, 469, 470, & ! 6 \n & 471, 472, 473, 474, 475, 476, 477, 478, 479, 480, & ! 7 \n & 481, 483, 486, 489, 492, 495, 498, 501, 502, 503, & ! 8 \n & 504, 505, 506, 507, 508, 509, 510, 511, 512, 513, & ! 9 \n & 514, 515, 516/ ! O \n\n INTEGER, PARAMETER :: KTN2 = 1\n INTEGER :: KRX2( KTN2 )\n\n DATA ( KRX2( IRXXN ), IRXXN = 1, KTN2 ) / & \n & 43/\n\n INTEGER, PARAMETER :: KTN3 = 242\n INTEGER :: KRX3( KTN3 )\n\n DATA ( KRX3( IRXXN ), IRXXN = 1, KTN3 ) / & \n & 39, 40, 41, 42, 44, 45, 46, 47, 48, 49, & ! O \n & 52, 55, 57, 58, 59, 65, 66, 67, 73, 76, & ! 1 \n & 77, 78, 79, 81, 82, 84, 85, 88, 89, 90, & ! 2 \n & 91, 92, 93, 94, 95, 96, 97, 98, 104, 105, & ! 3 \n & 106, 108, 109, 110, 112, 113, 115, 116, 117, 119, & ! 4 \n & 120, 121, 123, 124, 125, 126, 127, 128, 129, 131, & ! 5 \n & 132, 133, 134, 137, 138, 142, 144, 145, 146, 147, & ! 6 \n & 148, 151, 152, 159, 160, 161, 163, 164, 165, 166, & ! 7 \n & 168, 169, 170, 174, 181, 182, 183, 184, 190, 191, & ! 8 \n & 192, 193, 202, 203, 204, 205, 206, 209, 210, 211, & ! 9 \n & 212, 215, 216, 220, 225, 226, 227, 228, 229, 230, & ! O \n & 231, 232, 233, 234, 235, 244, 245, 246, 247, 248, & ! 1 \n & 249, 250, 251, 252, 253, 254, 255, 257, 258, 259, & ! 2 \n & 260, 261, 262, 263, 264, 265, 266, 267, 268, 269, & ! 3 \n & 270, 271, 272, 273, 274, 275, 277, 279, 281, 283, & ! 4 \n & 284, 285, 286, 287, 288, 289, 291, 292, 293, 294, & ! 5 \n & 295, 296, 297, 298, 300, 301, 302, 303, 304, 305, & ! 6 \n & 306, 307, 308, 309, 310, 311, 312, 314, 316, 318, & ! 7 \n & 320, 321, 322, 323, 324, 325, 326, 327, 328, 329, & ! 8 \n & 330, 331, 332, 333, 334, 335, 336, 337, 338, 370, & ! 9 \n & 371, 372, 374, 375, 388, 391, 395, 401, 404, 405, & ! O \n & 411, 412, 416, 418, 434, 435, 436, 437, 438, 439, & ! 1 \n & 440, 454, 462, 463, 464, 465, 466, 467, 468, 482, & ! 2 \n & 484, 485, 487, 488, 490, 491, 493, 494, 496, 497, & ! 3 \n & 499, 500/ ! 4 \n\n INTEGER, PARAMETER :: KTN4 = 2\n INTEGER :: KRX4( KTN4 )\n\n DATA ( KRX4( IRXXN ), IRXXN = 1, KTN4 ) / & \n & 111, 158/\n\n INTEGER, PARAMETER :: KTN5 = 4\n INTEGER :: KRX5( KTN5 )\n\n DATA ( KRX5( IRXXN ), IRXXN = 1, KTN5 ) / & \n & 69, 72, 178, 180/\n\n INTEGER, PARAMETER :: KTN6 = 0\n INTEGER :: KRX6( 1 )\n\n DATA KRX6( 1 ) / 0 /\n\n INTEGER, PARAMETER :: KTN7 = 0\n INTEGER :: KRX7( 1 )\n\n DATA KRX7( 1 ) / 0 /\n\n INTEGER, PARAMETER :: NWM = 1\n INTEGER :: NRXWM( NWM )\n\n DATA ( NRXWM( IRXXN ), IRXXN = 1, NWM ) / & \n & 43/\n REAL( 8 ), PARAMETER :: ATM_AIR = 1.00000D+06\n\n INTEGER, PARAMETER :: NWW = 3\n INTEGER :: NRXWW( NWW )\n\n DATA ( NRXWW( IRXXN ), IRXXN = 1, NWW ) / & \n & 47, 51, 70/\n\n INTEGER, PARAMETER :: NWO2 = 3\n INTEGER :: NRXWO2( NWO2 )\n\n DATA ( NRXWO2( IRXXN ), IRXXN = 1, NWO2 ) / & \n & 43, 45, 57/\n REAL( 8 ), PARAMETER :: ATM_O2 = 2.09500D+05\n\n INTEGER, PARAMETER :: NWN2 = 1\n INTEGER :: NRXWN2( NWN2 )\n\n DATA ( NRXWN2( IRXXN ), IRXXN = 1, NWN2 ) / & \n & 46/\n REAL( 8 ), PARAMETER :: ATM_N2 = 7.80800D+05\n\n INTEGER, PARAMETER :: NWCH4 = 1\n INTEGER :: NRXWCH4( NWCH4 )\n\n DATA ( NRXWCH4( IRXXN ), IRXXN = 1, NWCH4 ) / & \n & 76/\n REAL( 8 ), PARAMETER :: ATM_CH4 = 1.85000D+00\n\n INTEGER, PARAMETER :: NWH2 = 1\n INTEGER :: NRXWH2( NWH2 )\n\n DATA ( NRXWH2( IRXXN ), IRXXN = 1, NWH2 ) / & \n & 48/\n REAL( 8 ), PARAMETER :: ATM_H2 = 5.60000D-01\n\n INTEGER, PARAMETER :: MXPRD = 28\n INTEGER :: IRR( NRXNS,MXPRD+3 )\n\n DATA ( IRR( IRXXN, 1 ), IRXXN = 1, NRXNS ) / & \n & 1, 1, 4, 6, 8, 8, 9, 10, 11, 13, & ! O \n & 13, 15, 17, 19, 19, 21, 23, 25, 26, 22, & ! 1 \n & 27, 28, 31, 32, 32, 32, 33, 34, 35, 36, & ! 2 \n & 38, 39, 40, 41, 42, 43, 44, 44, 1, 1, & ! 3 \n & 1, 1, 2, 2, 3, 3, 3, 5, 5, 12, & ! 4 \n & 12, 4, 7, 7, 7, 7, 7, 9, 6, 6, & ! 5 \n & 6, 10, 8, 8, 8, 8, 8, 8, 45, 45, & ! 6 \n & 6, 11, 11, 46, 14, 5, 49, 50, 53, 55, & ! 7 \n & 57, 59, 61, 63, 66, 69, 71, 73, 73, 73, & ! 8 \n & 76, 76, 77, 74, 74, 79, 78, 77, 77, 81, & ! 9 \n & 75, 75, 78, 83, 86, 23, 25, 13, 15, 17, & ! O \n & 19, 26, 22, 27, 28, 31, 21, 32, 33, 34, & ! 1 \n & 35, 98, 36, 65, 68, 101, 103, 104, 82, 105, & ! 2 \n & 38, 39, 40, 41, 106, 62, 107, 42, 44, 109, & ! 3 \n & 110, 43, 111, 55, 57, 59, 83, 86, 25, 111, & ! 4 \n & 28, 31, 21, 34, 35, 98, 102, 55, 57, 59, & ! 5 \n & 83, 86, 111, 13, 15, 17, 28, 21, 32, 33, & ! 6 \n & 65, 68, 101, 110, 89, 91, 20, 44, 90, 109, & ! 7 \n & 29, 110, 16, 18, 51, 54, 56, 58, 60, 64, & ! 8 \n & 67, 70, 72, 84, 85, 116, 117, 87, 88, 118, & ! 9 \n & 119, 89, 91, 20, 90, 92, 93, 94, 29, 95, & ! O \n & 96, 97, 99, 126, 100, 113, 108, 114, 115, 120, & ! 1 \n & 30, 127, 37, 102, 16, 18, 51, 54, 56, 58, & ! 2 \n & 60, 64, 67, 70, 72, 84, 85, 116, 117, 87, & ! 3 \n & 88, 118, 119, 89, 91, 20, 90, 92, 93, 94, & ! 4 \n & 29, 95, 96, 97, 100, 37, 113, 108, 114, 115, & ! 5 \n & 120, 30, 16, 18, 51, 54, 56, 58, 60, 64, & ! 6 \n & 67, 70, 72, 76, 84, 85, 116, 117, 87, 88, & ! 7 \n & 118, 119, 20, 90, 92, 93, 94, 29, 95, 96, & ! 8 \n & 97, 99, 126, 100, 113, 108, 114, 115, 120, 30, & ! 9 \n & 18, 51, 54, 56, 58, 60, 64, 67, 70, 72, & ! O \n & 76, 84, 85, 116, 117, 87, 88, 118, 119, 20, & ! 1 \n & 90, 92, 93, 94, 29, 95, 96, 97, 99, 126, & ! 2 \n & 100, 113, 108, 114, 115, 120, 30, 90, 16, 18, & ! 3 \n & 51, 54, 56, 58, 60, 64, 67, 70, 72, 76, & ! 4 \n & 84, 87, 20, 90, 92, 93, 94, 29, 95, 96, & ! 5 \n & 97, 99, 126, 100, 113, 108, 114, 115, 120, 114, & ! 6 \n & 114, 115, 30, 30, 30, 85, 85, 85, 88, 88, & ! 7 \n & 88, 117, 117, 117, 119, 119, 119, 80, 129, 130, & ! 8 \n & 131, 131, 131, 131, 132, 133, 133, 133, 133, 133, & ! 9 \n & 132, 132, 134, 135, 135, 123, 134, 134, 136, 137, & ! O \n & 138, 138, 138, 137, 137, 140, 140, 140, 32, 33, & ! 1 \n & 45, 6, 1, 80, 144, 144, 148, 150, 152, 154, & ! 2 \n & 156, 158, 160, 149, 151, 153, 155, 157, 159, 24, & ! 3 \n & 149, 151, 153, 155, 157, 159, 24, 149, 151, 153, & ! 4 \n & 155, 157, 159, 24, 161, 162, 163, 165, 167, 168, & ! 5 \n & 170, 161, 162, 163, 165, 167, 168, 170, 161, 162, & ! 6 \n & 163, 165, 167, 168, 170, 161, 162, 163, 165, 167, & ! 7 \n & 168, 170, 171, 172, 172, 172, 172, 172, 175, 176, & ! 8 \n & 176, 176, 176, 176, 177, 178, 178, 178, 178, 178, & ! 9 \n & 179, 173, 139, 122, 174, 169, 125, 141, 142, 166, & ! O \n & 164, 124, 121, 180, 181, 41/ ! 1 \n\n DATA ( IRR( IRXXN, 2 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 5, 12, & ! 3 \n & 7, 6, 0, 1, 0, 0, 0, 0, 12, 12, & ! 4 \n & 12, 5, 2, 5, 12, 12, 7, 5, 2, 2, & ! 5 \n & 5, 5, 5, 12, 7, 6, 8, 6, 0, 0, & ! 6 \n & 12, 0, 5, 5, 5, 0, 5, 5, 5, 5, & ! 7 \n & 5, 5, 5, 5, 5, 5, 5, 1, 8, 5, & ! 8 \n & 12, 7, 5, 12, 7, 12, 5, 5, 0, 7, & ! 9 \n & 5, 8, 0, 5, 5, 5, 5, 5, 5, 5, & ! O \n & 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, & ! 1 \n & 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, & ! 2 \n & 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, & ! 3 \n & 5, 5, 5, 1, 1, 1, 1, 1, 1, 1, & ! 4 \n & 1, 1, 1, 1, 1, 1, 1, 8, 8, 8, & ! 5 \n & 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, & ! 6 \n & 8, 8, 8, 8, 0, 0, 6, 0, 6, 0, & ! 7 \n & 6, 0, 7, 7, 7, 7, 7, 7, 7, 7, & ! 8 \n & 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, & ! 9 \n & 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, & ! O \n & 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, & ! 1 \n & 7, 6, 6, 6, 12, 12, 12, 12, 12, 12, & ! 2 \n & 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, & ! 3 \n & 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, & ! 4 \n & 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, & ! 5 \n & 12, 12, 16, 16, 16, 16, 16, 16, 16, 16, & ! 6 \n & 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, & ! 7 \n & 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, & ! 8 \n & 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, & ! 9 \n & 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, & ! O \n & 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, & ! 1 \n & 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, & ! 2 \n & 20, 20, 20, 20, 20, 20, 20, 90, 8, 8, & ! 3 \n & 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, & ! 4 \n & 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, & ! 5 \n & 8, 8, 8, 8, 8, 8, 8, 8, 8, 114, & ! 6 \n & 115, 115, 8, 90, 30, 84, 87, 76, 84, 87, & ! 7 \n & 76, 84, 87, 76, 84, 87, 76, 5, 5, 5, & ! 8 \n & 5, 1, 8, 0, 5, 7, 8, 12, 16, 20, & ! 9 \n & 1, 8, 5, 7, 12, 5, 1, 8, 5, 8, & ! O \n & 12, 7, 8, 1, 5, 12, 8, 7, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 146, 5, 5, 5, 5, & ! 2 \n & 5, 5, 5, 7, 7, 7, 7, 7, 7, 7, & ! 3 \n & 8, 8, 8, 8, 8, 8, 8, 12, 12, 12, & ! 4 \n & 12, 12, 12, 12, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 7, 7, 7, 7, 7, 7, 7, 8, 8, & ! 6 \n & 8, 8, 8, 8, 8, 12, 12, 12, 12, 12, & ! 7 \n & 12, 12, 5, 12, 7, 8, 16, 20, 5, 12, & ! 8 \n & 7, 8, 16, 20, 5, 12, 7, 8, 16, 20, & ! 9 \n & 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, & ! O \n & 5, 5, 5, 5, 5, 5/ ! 1 \n\n DATA ( IRR( IRXXN, 3 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0/ ! 1 \n\n DATA ( IRR( IRXXN, 4 ), IRXXN = 1, NRXNS ) / & \n & 2, 3, 5, 2, 7, 2, 5, 5, 5, 14, & ! O \n & 12, 12, 12, 16, 16, 12, 12, 12, 16, 18, & ! 1 \n & 12, 5, 16, 14, 13, 12, 12, 12, 12, 37, & ! 2 \n & 5, 5, 5, 5, 5, 12, 20, 16, 12, 5, & ! 3 \n & 6, 8, 1, 0, 2, 2, 5, 12, 0, 4, & ! 4 \n & 4, 12, 6, 9, 6, 10, 6, 6, 7, 8, & ! 5 \n & 10, 8, 12, 5, 6, 7, 6, 45, 6, 10, & ! 6 \n & 11, 12, 6, 12, 12, 16, 18, 51, 54, 56, & ! 7 \n & 58, 60, 5, 64, 67, 70, 72, 28, 74, 76, & ! 8 \n & 77, 78, 76, 79, 13, 6, 75, 13, 13, 6, & ! 9 \n & 14, 14, 10, 84, 87, 89, 91, 12, 20, 90, & ! O \n & 92, 93, 94, 12, 29, 96, 20, 12, 20, 12, & ! 1 \n & 12, 12, 99, 52, 52, 102, 12, 12, 12, 12, & ! 2 \n & 5, 5, 5, 5, 29, 12, 16, 5, 30, 30, & ! 3 \n & 6, 51, 112, 5, 5, 5, 5, 5, 5, 112, & ! 4 \n & 5, 5, 5, 5, 5, 5, 113, 114, 114, 114, & ! 5 \n & 116, 118, 112, 12, 20, 90, 13, 12, 12, 20, & ! 6 \n & 52, 52, 102, 29, 112, 112, 44, 20, 109, 90, & ! 7 \n & 110, 29, 12, 12, 12, 12, 12, 12, 12, 43, & ! 8 \n & 43, 43, 43, 12, 5, 6, 6, 12, 5, 6, & ! 9 \n & 6, 12, 12, 16, 18, 20, 12, 12, 16, 6, & ! O \n & 12, 12, 126, 127, 12, 102, 6, 6, 6, 6, & ! 1 \n & 6, 43, 43, 43, 38, 39, 39, 39, 39, 39, & ! 2 \n & 39, 39, 39, 39, 39, 40, 112, 111, 112, 40, & ! 3 \n & 112, 111, 112, 40, 40, 5, 5, 5, 39, 39, & ! 4 \n & 106, 106, 39, 39, 39, 68, 39, 39, 43, 43, & ! 5 \n & 39, 39, 12, 12, 12, 12, 12, 12, 12, 13, & ! 6 \n & 13, 13, 13, 12, 12, 12, 12, 12, 12, 12, & ! 7 \n & 12, 12, 12, 12, 12, 12, 12, 12, 6, 12, & ! 8 \n & 12, 12, 12, 12, 12, 13, 12, 12, 12, 12, & ! 9 \n & 12, 12, 12, 12, 12, 12, 16, 16, 16, 16, & ! O \n & 12, 12, 5, 6, 6, 12, 5, 6, 16, 16, & ! 1 \n & 16, 16, 12, 12, 107, 6, 12, 12, 16, 16, & ! 2 \n & 12, 12, 16, 12, 16, 12, 16, 18, 12, 12, & ! 3 \n & 12, 12, 12, 17, 12, 6, 6, 6, 6, 12, & ! 4 \n & 12, 12, 16, 18, 20, 12, 12, 13, 6, 12, & ! 5 \n & 12, 126, 127, 12, 6, 6, 12, 6, 6, 12, & ! 6 \n & 12, 6, 6, 18, 0, 112, 112, 112, 112, 112, & ! 7 \n & 112, 112, 112, 112, 112, 112, 112, 5, 18, 18, & ! 8 \n & 29, 14, 13, 14, 133, 12, 12, 39, 103, 16, & ! 9 \n & 131, 114, 34, 43, 39, 22, 5, 6, 27, 138, & ! O \n & 125, 124, 124, 124, 140, 141, 124, 142, 143, 143, & ! 1 \n & 10, 9, 0, 144, 145, 147, 149, 151, 153, 155, & ! 2 \n & 157, 159, 24, 161, 162, 163, 165, 167, 168, 170, & ! 3 \n & 161, 162, 163, 165, 167, 168, 170, 124, 164, 166, & ! 4 \n & 141, 169, 139, 39, 12, 12, 12, 12, 12, 12, & ! 5 \n & 12, 164, 142, 141, 169, 139, 139, 43, 6, 6, & ! 6 \n & 6, 6, 6, 6, 6, 142, 141, 169, 139, 139, & ! 7 \n & 139, 164, 172, 121, 121, 6, 13, 16, 176, 124, & ! 8 \n & 124, 6, 13, 16, 178, 124, 121, 6, 13, 16, & ! 9 \n & 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, & ! O \n & 5, 5, 5, 5, 5, 5/ ! 1 \n\n DATA ( IRR( IRXXN, 5 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 7, 0, 6, 7, 6, 12, 0, & ! O \n & 14, 16, 18, 20, 14, 20, 24, 24, 18, 20, & ! 1 \n & 20, 12, 29, 0, 14, 14, 20, 20, 20, 12, & ! 2 \n & 12, 12, 12, 12, 16, 6, 6, 8, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 5, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 6, 6, 0, 6, 0, 0, 8, 0, & ! 6 \n & 0, 6, 0, 47, 0, 0, 0, 52, 52, 0, & ! 7 \n & 0, 0, 12, 65, 68, 68, 68, 31, 13, 16, & ! 8 \n & 12, 13, 0, 5, 33, 12, 5, 33, 33, 7, & ! 9 \n & 6, 0, 82, 85, 88, 90, 90, 14, 0, 0, & ! O \n & 0, 0, 0, 33, 95, 0, 97, 14, 14, 14, & ! 1 \n & 14, 29, 0, 12, 12, 0, 13, 15, 17, 17, & ! 2 \n & 16, 51, 24, 24, 0, 0, 108, 20, 8, 8, & ! 3 \n & 27, 6, 0, 12, 12, 12, 84, 87, 24, 0, & ! 4 \n & 12, 12, 12, 12, 12, 12, 0, 115, 115, 115, & ! 5 \n & 117, 119, 0, 14, 10, 10, 29, 30, 14, 14, & ! 6 \n & 37, 37, 10, 6, 0, 0, 0, 6, 0, 6, & ! 7 \n & 0, 6, 6, 6, 16, 16, 6, 6, 6, 121, & ! 8 \n & 121, 124, 124, 6, 6, 23, 5, 6, 6, 25, & ! 9 \n & 5, 6, 6, 6, 6, 6, 6, 20, 20, 12, & ! O \n & 20, 6, 6, 6, 6, 6, 32, 12, 13, 32, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 122, 122, 41, 41, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 16, 18, 20, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 13, 13, 16, 16, 13, 13, 13, 12, & ! 6 \n & 12, 12, 12, 13, 13, 13, 6, 6, 13, 13, & ! 7 \n & 13, 13, 16, 16, 20, 13, 13, 20, 12, 20, & ! 8 \n & 14, 126, 127, 13, 102, 12, 13, 6, 6, 13, & ! 9 \n & 16, 16, 16, 16, 16, 16, 12, 12, 12, 12, & ! O \n & 16, 16, 16, 111, 16, 16, 16, 25, 6, 0, & ! 1 \n & 18, 20, 16, 16, 16, 12, 16, 16, 126, 127, & ! 2 \n & 16, 16, 32, 16, 6, 16, 0, 0, 13, 6, & ! 3 \n & 16, 16, 6, 13, 17, 12, 12, 12, 12, 6, & ! 4 \n & 6, 6, 6, 6, 6, 6, 6, 20, 12, 20, & ! 5 \n & 6, 6, 6, 6, 102, 32, 6, 13, 32, 43, & ! 6 \n & 6, 13, 0, 0, 0, 82, 82, 82, 82, 82, & ! 7 \n & 82, 82, 82, 82, 82, 82, 82, 0, 52, 52, & ! 8 \n & 95, 12, 29, 12, 21, 6, 6, 0, 13, 107, & ! 9 \n & 14, 115, 12, 6, 123, 32, 17, 34, 17, 0, & ! O \n & 0, 6, 6, 139, 0, 0, 0, 124, 0, 0, & ! 1 \n & 0, 10, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 121, 124, 164, 166, 141, 169, 43, & ! 3 \n & 6, 6, 6, 6, 6, 6, 6, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 124, 164, 166, 141, 169, 139, & ! 5 \n & 121, 6, 6, 6, 6, 6, 6, 6, 124, 164, & ! 6 \n & 166, 141, 169, 139, 22, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 12, 142, 164, 12, 12, 12, 12, 141, & ! 8 \n & 142, 12, 12, 12, 12, 142, 164, 12, 12, 12, & ! 9 \n & 179, 179, 179, 179, 179, 179, 179, 179, 179, 179, & ! O \n & 179, 179, 179, 173, 122, 179/ ! 1 \n\n DATA ( IRR( IRXXN, 6 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 6, 0, & ! O \n & 0, 14, 14, 0, 0, 14, 14, 14, 20, 14, & ! 1 \n & 13, 20, 14, 0, 0, 0, 14, 30, 30, 14, & ! 2 \n & 13, 17, 17, 17, 0, 17, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 10, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 48, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 14, 12, 12, 12, 12, 13, 6, 0, & ! 8 \n & 13, 31, 0, 0, 31, 13, 80, 28, 20, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 17, & ! 1 \n & 26, 14, 0, 100, 100, 0, 0, 0, 15, 0, & ! 2 \n & 13, 30, 30, 30, 0, 0, 0, 30, 13, 13, & ! 3 \n & 0, 0, 0, 14, 16, 16, 85, 88, 13, 0, & ! 4 \n & 20, 20, 16, 90, 90, 14, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 10, 0, 0, 30, 14, 10, 10, & ! 6 \n & 100, 100, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 13, 15, 18, 18, 13, 13, 15, 122, & ! 8 \n & 122, 125, 125, 23, 112, 0, 112, 25, 112, 0, & ! 9 \n & 112, 111, 111, 0, 0, 13, 13, 30, 6, 13, & ! O \n & 30, 14, 0, 0, 27, 0, 12, 43, 17, 39, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 125, 125, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 107, 107, 13, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 103, 15, 18, 18, 17, 17, 17, 103, & ! 6 \n & 103, 103, 103, 28, 23, 103, 13, 103, 25, 103, & ! 7 \n & 25, 6, 13, 13, 13, 34, 34, 14, 13, 30, & ! 8 \n & 13, 13, 13, 27, 13, 32, 43, 13, 13, 0, & ! 9 \n & 15, 18, 18, 13, 13, 17, 107, 107, 107, 107, & ! O \n & 13, 23, 107, 23, 107, 25, 107, 111, 107, 0, & ! 1 \n & 0, 13, 13, 34, 20, 13, 20, 14, 0, 0, & ! 2 \n & 27, 102, 0, 43, 13, 6, 0, 0, 6, 15, & ! 3 \n & 30, 18, 13, 12, 22, 36, 36, 36, 36, 13, & ! 4 \n & 17, 59, 0, 0, 13, 13, 34, 14, 13, 30, & ! 5 \n & 14, 0, 0, 27, 0, 12, 43, 17, 39, 0, & ! 6 \n & 13, 17, 0, 0, 0, 23, 25, 13, 23, 25, & ! 7 \n & 13, 23, 25, 13, 23, 25, 13, 0, 0, 0, & ! 8 \n & 0, 5, 30, 55, 12, 131, 131, 0, 12, 12, & ! 9 \n & 12, 131, 135, 123, 5, 12, 0, 98, 12, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 6, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 6, 6, 6, 6, 6, 6, 6, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 124, 164, 166, 141, 169, 12, 22, 12, 12, & ! 6 \n & 12, 12, 12, 12, 12, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 121, 173, 174, 36, 103, 107, 124, 173, & ! 8 \n & 173, 121, 103, 107, 124, 179, 179, 121, 103, 107, & ! 9 \n & 34, 173, 173, 173, 173, 173, 173, 173, 173, 173, & ! O \n & 173, 173, 173, 139, 174, 173/ ! 1 \n\n DATA ( IRR( IRXXN, 7 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 8, 0, & ! O \n & 0, 0, 0, 0, 0, 13, 0, 0, 14, 0, & ! 1 \n & 0, 29, 21, 0, 0, 0, 0, 14, 14, 0, & ! 2 \n & 0, 0, 0, 0, 0, 22, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 32, 0, 0, 0, 0, 5, 75, 0, & ! 8 \n & 0, 12, 0, 0, 6, 32, 0, 32, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 22, & ! 1 \n & 32, 32, 0, 37, 37, 0, 0, 0, 0, 0, & ! 2 \n & 0, 17, 17, 17, 0, 0, 0, 13, 0, 0, & ! 3 \n & 0, 0, 0, 13, 18, 18, 23, 25, 22, 0, & ! 4 \n & 14, 30, 20, 30, 30, 32, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 33, 13, 0, 0, & ! 6 \n & 120, 120, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 30, 30, 17, 15, 17, 6, & ! 8 \n & 6, 6, 6, 111, 0, 0, 0, 13, 0, 0, & ! 9 \n & 0, 13, 13, 0, 0, 0, 34, 6, 14, 27, & ! O \n & 6, 13, 0, 0, 32, 0, 0, 0, 22, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 42, 42, 39, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 103, 30, 30, 103, 22, 22, 36, & ! 6 \n & 36, 36, 36, 31, 22, 112, 23, 13, 22, 112, & ! 7 \n & 6, 103, 107, 107, 103, 103, 103, 13, 27, 13, & ! 8 \n & 17, 0, 0, 32, 0, 0, 0, 17, 32, 0, & ! 9 \n & 107, 30, 30, 17, 17, 22, 36, 36, 36, 36, & ! O \n & 28, 107, 112, 16, 112, 22, 112, 16, 112, 0, & ! 1 \n & 0, 107, 34, 107, 14, 27, 30, 13, 0, 0, & ! 2 \n & 32, 0, 0, 0, 17, 32, 0, 0, 0, 0, & ! 3 \n & 18, 30, 17, 6, 6, 32, 32, 32, 32, 28, & ! 4 \n & 22, 13, 0, 0, 0, 34, 0, 6, 27, 6, & ! 5 \n & 13, 0, 0, 32, 0, 0, 0, 22, 0, 0, & ! 6 \n & 17, 22, 0, 0, 0, 5, 5, 31, 5, 5, & ! 7 \n & 31, 6, 6, 31, 6, 6, 31, 0, 0, 0, & ! 8 \n & 0, 13, 33, 20, 0, 13, 13, 0, 131, 131, & ! 9 \n & 5, 0, 0, 12, 12, 16, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 12, 12, 12, 12, 12, 0, 12, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 6, 32, 36, 36, 0, 0, & ! 8 \n & 6, 32, 121, 121, 0, 0, 6, 32, 121, 121, & ! 9 \n & 26, 122, 139, 34, 139, 139, 122, 139, 139, 139, & ! O \n & 139, 139, 122, 122, 125, 122/ ! 1 \n\n DATA ( IRR( IRXXN, 8 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 17, 0, 0, 0, 0, & ! 1 \n & 0, 30, 0, 0, 0, 0, 0, 32, 32, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 62, 0, 0, 0, 0, 12, 0, 0, & ! 8 \n & 0, 6, 0, 0, 12, 33, 0, 31, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 32, & ! 1 \n & 33, 33, 0, 101, 101, 0, 0, 0, 0, 0, & ! 2 \n & 0, 22, 22, 22, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 62, 51, 51, 4, 4, 12, 0, & ! 4 \n & 33, 14, 30, 14, 14, 34, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 10, 17, 0, 0, & ! 6 \n & 10, 10, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 6, 6, 0, 17, 19, 12, & ! 8 \n & 12, 12, 12, 0, 0, 0, 0, 21, 0, 0, & ! 9 \n & 0, 22, 22, 0, 0, 0, 0, 17, 13, 0, & ! O \n & 13, 17, 0, 0, 39, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 104, 13, 13, 105, 103, 103, 32, & ! 6 \n & 32, 32, 32, 103, 103, 0, 103, 112, 103, 0, & ! 7 \n & 103, 112, 0, 0, 82, 82, 82, 107, 103, 17, & ! 8 \n & 22, 0, 0, 39, 0, 0, 0, 22, 39, 0, & ! 9 \n & 0, 13, 13, 107, 22, 107, 32, 32, 32, 32, & ! O \n & 31, 22, 0, 107, 0, 107, 0, 107, 0, 0, & ! 1 \n & 0, 0, 107, 0, 13, 16, 13, 17, 0, 0, & ! 2 \n & 39, 0, 0, 0, 22, 39, 0, 0, 0, 0, & ! 3 \n & 6, 6, 0, 26, 19, 123, 33, 33, 33, 31, & ! 4 \n & 0, 28, 0, 0, 0, 0, 0, 0, 0, 13, & ! 5 \n & 17, 0, 0, 39, 0, 0, 0, 0, 0, 0, & ! 6 \n & 22, 43, 0, 0, 0, 12, 12, 5, 12, 12, & ! 7 \n & 5, 12, 12, 6, 12, 12, 6, 0, 0, 0, & ! 8 \n & 0, 32, 10, 5, 0, 134, 134, 0, 57, 13, & ! 9 \n & 13, 0, 0, 16, 16, 14, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 12, 33, 32, 32, 0, 0, & ! 8 \n & 12, 33, 32, 32, 0, 0, 12, 33, 32, 32, & ! 9 \n & 15, 174, 122, 26, 122, 122, 174, 122, 122, 122, & ! O \n & 122, 122, 174, 174, 142, 125/ ! 1 \n\n DATA ( IRR( IRXXN, 9 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 22, 0, 0, 0, 0, & ! 1 \n & 0, 14, 0, 0, 0, 0, 0, 33, 33, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 16, 0, 0, & ! 8 \n & 0, 28, 0, 0, 75, 28, 0, 6, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 33, & ! 1 \n & 39, 39, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 54, 20, 14, 14, 14, 0, & ! 4 \n & 62, 13, 14, 13, 13, 62, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 6, 43, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 15, 13, 0, 19, 22, 36, & ! 8 \n & 36, 36, 36, 0, 0, 0, 0, 111, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 33, 0, 0, & ! O \n & 17, 32, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 17, 17, 0, 82, 82, 123, & ! 6 \n & 33, 33, 33, 82, 82, 0, 111, 0, 82, 0, & ! 7 \n & 111, 0, 0, 0, 107, 0, 0, 16, 82, 33, & ! 8 \n & 32, 0, 0, 0, 0, 0, 0, 103, 43, 0, & ! 9 \n & 0, 17, 17, 0, 107, 0, 123, 33, 33, 33, & ! O \n & 107, 82, 0, 0, 0, 13, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 107, 17, 22, 0, 0, & ! 2 \n & 0, 0, 0, 0, 107, 43, 0, 0, 0, 0, & ! 3 \n & 15, 13, 0, 15, 15, 35, 123, 123, 123, 32, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 17, & ! 5 \n & 22, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 43, 0, 0, 0, 0, 128, 128, 12, 128, 128, & ! 7 \n & 12, 128, 128, 12, 128, 128, 12, 0, 0, 0, & ! 8 \n & 0, 0, 6, 13, 0, 43, 0, 0, 31, 31, & ! 9 \n & 55, 0, 0, 0, 0, 52, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 36, 123, 33, 33, 0, 0, & ! 8 \n & 121, 123, 33, 33, 0, 0, 32, 123, 33, 33, & ! 9 \n & 17, 125, 174, 22, 174, 174, 125, 174, 174, 174, & ! O \n & 174, 174, 125, 125, 166, 34/ ! 1 \n\n DATA ( IRR( IRXXN, 10 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 13, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 20, 0, 0, & ! 8 \n & 0, 32, 0, 0, 16, 31, 0, 81, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 4, 14, 0, 0, 0, 0, & ! 4 \n & 0, 33, 13, 32, 32, 107, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 17, 15, 0, 26, 27, 32, & ! 8 \n & 32, 32, 32, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 33, 22, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 22, 22, 0, 0, 0, 35, & ! 6 \n & 123, 123, 123, 17, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 103, 0, 103, & ! 8 \n & 33, 0, 0, 0, 0, 0, 0, 82, 0, 0, & ! 9 \n & 0, 22, 22, 0, 0, 0, 35, 123, 123, 123, & ! O \n & 0, 0, 0, 0, 0, 82, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 33, 32, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 17, 17, 0, 19, 27, 98, 34, 35, 35, 27, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 33, & ! 5 \n & 32, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 128, 0, 0, & ! 7 \n & 128, 0, 0, 128, 0, 0, 128, 0, 0, 0, & ! 8 \n & 0, 0, 0, 16, 0, 0, 0, 0, 134, 134, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 32, 35, 123, 123, 0, 0, & ! 8 \n & 32, 35, 123, 123, 0, 0, 33, 35, 123, 123, & ! 9 \n & 16, 142, 169, 15, 125, 169, 164, 169, 125, 169, & ! O \n & 169, 125, 142, 141, 164, 26/ ! 1 \n\n DATA ( IRR( IRXXN, 11 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 4, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 75, 0, 80, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 14, 4, 0, 0, 0, 0, & ! 4 \n & 0, 62, 15, 33, 33, 42, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 19, 17, 0, 43, 43, 123, & ! 8 \n & 33, 33, 33, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 33, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 32, 103, 0, 0, 0, 98, & ! 6 \n & 34, 35, 35, 32, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 82, 0, 82, & ! 8 \n & 103, 0, 0, 0, 0, 0, 0, 43, 0, 0, & ! 9 \n & 0, 32, 107, 0, 0, 0, 98, 34, 35, 35, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 107, 33, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 26, 22, 0, 0, 0, 0, 0, 0, 0, 17, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 33, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 21, 21, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 33, 0, 35, 35, 0, 0, & ! 8 \n & 33, 0, 35, 35, 0, 0, 123, 0, 35, 35, & ! 9 \n & 18, 164, 125, 17, 141, 125, 124, 125, 141, 125, & ! O \n & 125, 141, 166, 142, 124, 15/ ! 1 \n\n DATA ( IRR( IRXXN, 12 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 29, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 16, 0, 5, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 49, 49, 0, 0, 0, 0, & ! 4 \n & 0, 107, 22, 39, 34, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 26, 26, 0, 0, 0, 35, & ! 8 \n & 123, 123, 123, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 103, 82, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 27, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 107, & ! 8 \n & 82, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 107, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 107, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 19, 26, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 123, 0, 0, 0, 0, 0, & ! 8 \n & 123, 0, 0, 0, 0, 0, 35, 0, 0, 0, & ! 9 \n & 51, 124, 141, 16, 142, 141, 121, 141, 142, 141, & ! O \n & 141, 142, 164, 166, 121, 17/ ! 1 \n\n DATA ( IRR( IRXXN, 13 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 14, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 50, 50, 0, 0, 0, 0, & ! 4 \n & 0, 17, 32, 0, 39, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 43, 19, 0, 0, 0, 98, & ! 8 \n & 34, 35, 35, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 82, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 19, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 35, 0, 0, 0, 0, 0, & ! 8 \n & 35, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 93, 121, 142, 18, 166, 142, 39, 142, 164, 142, & ! O \n & 142, 166, 124, 164, 180, 16/ ! 1 \n\n DATA ( IRR( IRXXN, 14 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 62, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 53, 13, 0, 0, 0, 0, & ! 4 \n & 0, 0, 33, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 22, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 15, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 41, 166, 51, 164, 166, 34, 166, 124, 166, & ! O \n & 166, 164, 121, 124, 181, 18/ ! 1 \n\n DATA ( IRR( IRXXN, 15 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 57, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 63, 15, 0, 0, 0, 0, & ! 4 \n & 0, 0, 62, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 27, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 27, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 39, 164, 93, 124, 164, 26, 164, 121, 164, & ! O \n & 164, 124, 180, 121, 41, 51/ ! 1 \n\n DATA ( IRR( IRXXN, 16 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 13, 17, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 43, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 34, 124, 54, 121, 124, 22, 124, 180, 124, & ! O \n & 124, 121, 181, 180, 39, 93/ ! 1 \n\n DATA ( IRR( IRXXN, 17 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 15, 19, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 26, 121, 0, 180, 121, 15, 121, 41, 121, & ! O \n & 121, 180, 41, 181, 34, 0/ ! 1 \n\n DATA ( IRR( IRXXN, 18 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 17, 22, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 22, 180, 0, 39, 180, 17, 180, 39, 180, & ! O \n & 180, 181, 39, 41, 27, 0/ ! 1 \n\n DATA ( IRR( IRXXN, 19 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 19, 27, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 15, 181, 0, 34, 181, 16, 181, 34, 181, & ! O \n & 181, 41, 34, 39, 26, 0/ ! 1 \n\n DATA ( IRR( IRXXN, 20 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 36, 107, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 17, 41, 0, 27, 41, 18, 41, 27, 41, & ! O \n & 41, 39, 27, 34, 15, 0/ ! 1 \n\n DATA ( IRR( IRXXN, 21 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 26, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 16, 34, 0, 26, 39, 51, 34, 26, 39, & ! O \n & 39, 34, 26, 27, 17, 0/ ! 1 \n\n DATA ( IRR( IRXXN, 22 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 27, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 18, 27, 0, 15, 34, 93, 27, 15, 34, & ! O \n & 34, 27, 15, 26, 16, 0/ ! 1 \n\n DATA ( IRR( IRXXN, 23 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 62, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 51, 26, 0, 17, 27, 54, 26, 17, 27, & ! O \n & 27, 26, 17, 15, 18, 0/ ! 1 \n\n DATA ( IRR( IRXXN, 24 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 107, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 93, 15, 0, 16, 26, 94, 15, 16, 26, & ! O \n & 26, 15, 16, 17, 51, 0/ ! 1 \n\n DATA ( IRR( IRXXN, 25 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 54, 17, 0, 18, 15, 0, 17, 18, 15, & ! O \n & 15, 17, 18, 16, 93, 0/ ! 1 \n\n DATA ( IRR( IRXXN, 26 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 94, 16, 0, 51, 17, 0, 16, 51, 17, & ! O \n & 17, 16, 51, 18, 54, 0/ ! 1 \n\n DATA ( IRR( IRXXN, 27 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 18, 0, 93, 16, 0, 18, 93, 16, & ! O \n & 16, 18, 93, 51, 0, 0/ ! 1 \n\n DATA ( IRR( IRXXN, 28 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 51, 0, 54, 18, 0, 51, 54, 18, & ! O \n & 18, 51, 54, 93, 0, 0/ ! 1 \n\n DATA ( IRR( IRXXN, 29 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 93, 0, 0, 51, 0, 93, 0, 51, & ! O \n & 51, 93, 0, 54, 0, 0/ ! 1 \n\n DATA ( IRR( IRXXN, 30 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 54, 0, 0, 93, 0, 54, 0, 93, & ! O \n & 93, 54, 0, 0, 0, 0/ ! 1 \n\n DATA ( IRR( IRXXN, 31 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 54, 0, 0, 0, 54, & ! O \n & 54, 0, 0, 0, 0, 0/ ! 1 \n\n DATA ( RTDAT( 1,IRXXN ), IRXXN = 1, NRXNS ) / & \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! O \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 1 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 2 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 3 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.7000D-12, 1.0000D-14, & ! + \n & 3.0000D-12, 1.2000D-13, 6.1000D-34, 8.0000D-12, 3.3000D-11, & ! 4 \n & 2.1500D-11, 1.6300D-10, 2.8000D-12, 4.8000D-11, 3.0000D-13, & ! + \n & 4.2000D-34, 1.8000D-12, 9.1000D-32, 7.1000D-31, 3.4400D-12, & ! 5 \n & 6.0950D-14, 4.2500D-39, 3.0000D-12, 5.3000D-12, 3.4000D-31, & ! + \n & 1.8000D-30, 2.4000D-14, 2.0000D-11, 3.5000D-12, 1.7000D-11, & ! 6 \n & 4.3500D-14, 8.5000D-13, 2.4000D-30, 5.8000D-27, 1.0000D-22, & ! + \n & 1.9000D-31, 2.1000D-27, 4.5000D-13, 2.9000D-31, 1.4400D-13, & ! 7 \n & 2.4500D-12, 7.6600D-12, 7.6800D-12, 1.0100D-11, 1.0000D-28, & ! + \n & 5.7200D-12, 1.3300D-11, 5.5000D-30, 2.3300D-12, 1.8100D-12, & ! 8 \n & 2.3300D-11, 7.1600D-12, 1.5800D-14, 2.9500D-12, 2.6900D-11, & ! + \n & 4.5000D-13, 2.7000D-12, 4.6000D-12, 3.1400D-14, 9.4200D-16, & ! 9 \n & 3.4000D-11, 2.4000D-07, 2.9700D-11, 1.0000D+00, 1.0000D-10, & ! + \n & 5.0000D-11, 2.0000D-14, 2.3000D-05, 1.2100D-11, 4.2000D-11, & ! O \n & 5.2000D-12, 1.0000D-10, 5.5000D-12, 4.7000D-12, 4.9000D-12, & ! + \n & 4.5600D-14, 1.5000D-12, 2.8000D-12, 3.0000D-12, 8.0000D-12, & ! 1 \n & 2.6000D-12, 5.7700D-12, 1.1000D-11, 9.2600D-13, 2.8000D-11, & ! + \n & 2.8000D-11, 1.0000D-11, 5.3200D-12, 6.7500D-12, 4.6500D-11, & ! 2 \n & 2.0500D-10, 2.8500D-12, 3.0000D-12, 2.6000D-12, 1.4700D-11, & ! + \n & 2.9000D-12, 3.4000D-12, 3.4000D-12, 3.4000D-12, 3.0000D-11, & ! 3 \n & 4.5000D-13, 4.0000D-14, 2.9300D-12, 4.0000D-14, 4.0000D-14, & ! + \n & 3.2000D-11, 5.3100D-12, 4.8000D-12, 9.1400D-15, 4.3300D-15, & ! 4 \n & 4.4000D-15, 5.0000D-16, 2.9500D-15, 8.3000D-18, 1.6700D-16, & ! + \n & 1.3600D-15, 8.5000D-16, 1.6600D-18, 2.0000D-16, 2.0000D-16, & ! 5 \n & 9.0000D-17, 2.8600D-13, 4.3920D-13, 1.7900D-13, 8.6400D-13, & ! + \n & 1.1900D-12, 1.2200D-11, 3.1500D-14, 2.0000D-12, 1.4000D-12, & ! 6 \n & 3.7600D-12, 3.4000D-15, 5.0200D-13, 2.9000D-12, 3.7600D-12, & ! + \n & 3.7800D-12, 1.0600D-12, 2.0100D-10, 2.2000D-14, 1.0000D+00, & ! 7 \n & 1.0000D+00, 9.7000D-29, 9.0000D-29, 9.7000D-29, 9.0000D-29, & ! + \n & 2.8000D-12, 1.6000D+16, 2.8000D-12, 2.6000D-12, 4.0000D-12, & ! 8 \n & 4.0000D-12, 9.0000D-12, 4.0000D-12, 4.0000D-12, 2.7000D-12, & ! + \n & 2.7000D-12, 2.7000D-12, 2.7000D-12, 4.0000D-12, 4.0000D-12, & ! 9 \n & 4.0000D-12, 4.0000D-12, 4.0000D-12, 4.0000D-12, 4.0000D-12, & ! + \n & 4.0000D-12, 2.7000D-12, 2.7000D-12, 8.1000D-12, 8.1000D-12, & ! O \n & 2.9000D-12, 4.0000D-12, 4.0000D-12, 2.5400D-12, 2.5400D-12, & ! + \n & 2.5400D-12, 2.5400D-12, 4.0000D-12, 4.0000D-12, 2.7000D-12, & ! 1 \n & 2.7000D-12, 4.0000D-12, 4.0000D-12, 4.0000D-12, 2.7000D-12, & ! + \n & 4.0000D-12, 2.0000D-11, 2.0000D-11, 2.0800D-12, 4.1000D-13, & ! 2 \n & 7.5000D-13, 1.6600D-13, 1.6600D-13, 1.9000D-13, 1.6600D-13, & ! + \n & 1.6600D-13, 2.9100D-13, 2.9100D-13, 2.9100D-13, 2.9100D-13, & ! 3 \n & 1.5000D-11, 1.5000D-11, 1.5000D-11, 1.5000D-11, 1.5000D-11, & ! + \n & 1.5000D-11, 1.5000D-11, 1.5000D-11, 2.9100D-13, 2.9100D-13, & ! 4 \n & 4.3000D-13, 4.3000D-13, 1.1500D-13, 1.1500D-13, 1.1500D-13, & ! + \n & 1.8200D-13, 1.8200D-13, 2.9100D-13, 2.9100D-13, 3.7500D-13, & ! 5 \n & 1.0000D-11, 3.7500D-13, 1.1500D-13, 1.6600D-13, 1.6600D-13, & ! + \n & 3.7500D-13, 1.6600D-13, 9.5000D-14, 1.1800D-13, 9.4600D-14, & ! 6 \n & 1.0000D-13, 1.7100D-13, 1.4600D-13, 9.1800D-14, 3.5600D-14, & ! + \n & 3.5600D-14, 3.5600D-14, 3.5600D-14, 3.4000D-14, 3.5600D-14, & ! 7 \n & 1.0000D-10, 3.5600D-14, 1.0000D-10, 3.5600D-14, 1.0000D-10, & ! + \n & 3.5600D-14, 1.0000D-10, 2.0000D-11, 2.0000D-11, 7.5000D-13, & ! 8 \n & 6.9100D-13, 6.9100D-13, 3.4000D-14, 3.4000D-14, 8.3700D-14, & ! + \n & 3.4000D-14, 3.5600D-14, 3.5600D-14, 3.5600D-14, 3.5600D-14, & ! 9 \n & 7.5000D-13, 1.6000D-13, 9.6800D-14, 3.5600D-14, 5.9900D-15, & ! + \n & 1.0300D-12, 6.9000D-13, 5.5900D-13, 9.4800D-13, 8.1100D-13, & ! O \n & 5.0900D-13, 7.4000D-13, 7.4000D-13, 7.4000D-13, 7.4000D-13, & ! + \n & 8.4000D-14, 7.4000D-13, 1.0000D-10, 7.4000D-13, 1.0000D-10, & ! 1 \n & 7.4000D-13, 1.0000D-10, 7.4000D-13, 1.0000D-10, 2.5000D-12, & ! + \n & 2.5000D-12, 7.5100D-13, 7.5100D-13, 7.5100D-13, 8.4000D-14, & ! 2 \n & 8.4000D-14, 1.6800D-12, 1.6800D-12, 7.4000D-13, 7.4000D-13, & ! + \n & 7.4000D-13, 7.4000D-13, 7.5100D-13, 8.8500D-13, 5.3700D-13, & ! 3 \n & 7.4000D-13, 3.4000D-14, 2.5000D-12, 1.2000D-12, 1.2000D-12, & ! + \n & 1.2000D-12, 1.2000D-12, 1.2000D-12, 1.2000D-12, 1.2000D-12, & ! 4 \n & 2.3000D-12, 2.3000D-12, 2.3000D-12, 2.3000D-12, 1.2000D-12, & ! + \n & 1.2000D-12, 1.2000D-12, 4.0000D-12, 4.0000D-12, 1.2000D-12, & ! 5 \n & 1.2000D-12, 1.2000D-12, 1.2000D-12, 1.2000D-12, 2.5000D-12, & ! + \n & 2.5000D-12, 2.5000D-12, 2.5000D-12, 1.2000D-12, 1.2000D-12, & ! 6 \n & 1.2000D-12, 1.2000D-12, 1.2000D-12, 1.2000D-12, 7.0000D-14, & ! + \n & 4.2500D-14, 2.9600D-14, 1.2000D-12, 2.5000D-12, 7.1300D-17, & ! 7 \n & 1.0000D-10, 1.0000D-10, 1.0000D-10, 1.0000D-10, 1.0000D-10, & ! + \n & 1.0000D-10, 1.0000D-10, 1.0000D-10, 1.0000D-10, 1.0000D-10, & ! 8 \n & 1.0000D-10, 1.0000D-10, 5.7800D-11, 6.8900D-12, 6.5500D-14, & ! + \n & 8.0000D-12, 2.9000D-19, 3.4000D-15, 1.0000D+00, 1.4800D-11, & ! 9 \n & 9.0500D-12, 2.3000D-12, 1.6100D-11, 2.3900D-12, 1.3700D-11, & ! + \n & 1.3400D-14, 1.0000D-13, 5.0100D-11, 2.7000D-12, 3.7500D-13, & ! O \n & 4.4000D-11, 3.4300D-17, 8.9900D-12, 1.2000D-11, 1.9000D-11, & ! + \n & 2.8400D-13, 2.7000D-12, 2.3000D-12, 1.2000D-14, 1.9700D-10, & ! 1 \n & 2.8400D-13, 2.3000D-12, 2.7000D-12, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 6.7006D-11, 1.0000D+00, 1.0000D+00, & ! 2 \n & 1.0000D+00, 1.5300D-11, 1.6800D-11, 2.2400D-11, 2.6700D-11, & ! + \n & 3.0900D-11, 3.3800D-11, 1.1000D-11, 2.7000D-12, 2.7000D-12, & ! 3 \n & 2.7000D-12, 2.7000D-12, 2.7000D-12, 2.7000D-12, 2.7000D-12, & ! + \n & 2.3000D-12, 2.3000D-12, 2.3000D-12, 2.3000D-12, 2.3000D-12, & ! 4 \n & 2.3000D-12, 2.3000D-12, 2.1700D-11, 2.2000D-11, 2.2500D-11, & ! + \n & 2.2600D-11, 2.2700D-11, 2.2700D-11, 2.6600D-13, 1.8800D-01, & ! 5 \n & 1.8800D-01, 1.8800D-01, 1.8800D-01, 1.8800D-01, 1.8800D-01, & ! + \n & 1.8800D-01, 2.7000D-12, 2.7000D-12, 2.7000D-12, 2.7000D-12, & ! 6 \n & 2.7000D-12, 2.7000D-12, 2.7000D-12, 2.3000D-12, 2.3000D-12, & ! + \n & 2.3000D-12, 2.3000D-12, 2.3000D-12, 2.3000D-12, 2.3000D-12, & ! 7 \n & 2.1700D-11, 2.2000D-11, 2.2500D-11, 2.2600D-11, 2.2700D-11, & ! + \n & 2.2700D-11, 2.6600D-13, 1.8100D-11, 2.9100D-13, 2.7000D-12, & ! 8 \n & 2.3000D-12, 3.5600D-14, 7.4000D-13, 1.8100D-11, 2.9100D-13, & ! + \n & 2.7000D-12, 2.3000D-12, 3.5600D-14, 7.4000D-13, 2.3100D-11, & ! 9 \n & 2.9100D-13, 2.7000D-12, 2.3000D-12, 3.5600D-14, 7.4000D-13, & ! + \n & 5.9000D-11, 6.0700D-11, 5.5400D-11, 5.6300D-11, 5.4600D-11, & ! O \n & 4.5000D-11, 5.1700D-11, 4.7300D-11, 4.6000D-11, 3.8000D-11, & ! + \n & 3.9300D-11, 3.5200D-11, 3.1200D-11, 2.4000D-11, 2.0500D-11, & ! 1 \n & 4.6900D-11/ ! + \n\n DATA ( RTDAT( 2,IRXXN ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00,-2.4000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.6000D+02, & ! + \n & 2.6600D+03, 0.0000D+00,-1.5000D+00,-2.6000D+00, 0.0000D+00, & ! 5 \n & 2.7000D+02, 0.0000D+00, 0.0000D+00, 0.0000D+00,-1.6000D+00, & ! + \n & -3.0000D+00, 4.6000D+02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00,-3.0000D+00, 1.0840D+04, 0.0000D+00, & ! + \n & -3.4000D+00, 1.0900D+04, 0.0000D+00,-4.1000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00,-4.5000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 3.6500D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 2.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00,-5.6000D+00, 1.4000D+04,-5.6000D+00, 1.4000D+04, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 3.4153D-08, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00/ ! + \n\n DATA ( RTDAT( 3,IRXXN ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00,-9.4000D+02,-4.9000D+02, & ! + \n & -1.5000D+03,-2.4500D+03, 0.0000D+00,-2.0600D+03, 5.5000D+01, & ! 4 \n & 1.1000D+02, 6.0000D+01,-1.8000D+03, 2.5000D+02, 2.1000D-33, & ! + \n & 2.9400D-54, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.6000D+02, & ! 5 \n & 6.8570D-34, 6.6350D+02, 2.5000D+02, 2.0000D+02, 0.0000D+00, & ! + \n & 0.0000D+00, 2.7000D-17, 0.0000D+00, 0.0000D+00, 1.2500D+02, & ! 6 \n & -1.3350D+03,-2.4500D+03, 0.0000D+00, 6.8000D+01, 0.0000D+00, & ! + \n & 0.0000D+00, 7.1000D+01, 6.1000D+02, 0.0000D+00, 2.7400D-33, & ! 7 \n & -1.7750D+03,-1.0200D+03,-3.7000D+02,-2.4500D+02, 0.0000D+00, & ! + \n & 5.0000D+02, 5.0000D+02, 0.0000D+00,-1.9300D+02, 3.5400D+02, & ! 8 \n & 0.0000D+00, 0.0000D+00,-2.0000D+03,-4.5000D+02, 3.9000D+02, & ! + \n & 1.3000D+03, 3.5000D+02, 2.0000D+02, 5.8000D+02, 5.8000D+02, & ! 9 \n & 3.9000D+02, 5.8000D+02, 3.9000D+02, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.4000D+02, 4.0100D+02, & ! O \n & 6.0000D+02, 0.0000D+00, 1.2500D+02, 3.4500D+02, 4.0500D+02, & ! + \n & -4.2700D+02,-9.0000D+01, 1.0000D+01, 0.0000D+00, 3.8000D+02, & ! 1 \n & 6.1000D+02, 5.3300D+02, 0.0000D+00, 8.3000D+02, 1.7500D+02, & ! + \n & 1.7500D+02, 0.0000D+00, 2.4300D+02, 4.0500D+02, 0.0000D+00, & ! 2 \n & 0.0000D+00,-3.4500D+02, 2.0000D+01, 2.0000D+02, 0.0000D+00, & ! + \n & 1.9000D+02, 1.9000D+02, 1.9000D+02, 1.9000D+02, 0.0000D+00, & ! 3 \n & 0.0000D+00, 8.5000D+02, 1.9000D+02, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00,-2.6000D+02, 0.0000D+00,-2.5800D+03,-1.8000D+03, & ! 4 \n & -8.4500D+02,-5.3000D+02,-7.8300D+02, 0.0000D+00, 0.0000D+00, & ! + \n & -2.1120D+03,-1.5200D+03, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00,-2.2820D+03,-4.5000D+02, 4.5000D+02, & ! + \n & 4.9000D+02, 0.0000D+00,-4.4800D+02,-2.4400D+03,-1.9000D+03, & ! 6 \n & -1.9000D+03, 0.0000D+00,-1.0760D+03,-1.9000D+03,-1.9000D+03, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00,-5.0000D+02, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 1.7700D+02, 0.0000D+00, 1.7900D+02, & ! + \n & 1.8100D+02,-1.3486D+04, 3.0000D+02, 3.6500D+02, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.6000D+02, & ! + \n & 3.6000D+02, 3.6000D+02, 3.6000D+02, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 3.6000D+02, 3.6000D+02, 2.7000D+02, 2.7000D+02, & ! O \n & 3.0000D+02, 0.0000D+00, 0.0000D+00, 3.6000D+02, 3.6000D+02, & ! + \n & 3.6000D+02, 3.6000D+02, 0.0000D+00, 0.0000D+00, 3.6000D+02, & ! 1 \n & 3.6000D+02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.6000D+02, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 7.5000D+02, & ! 2 \n & 7.0000D+02, 1.3000D+03, 1.3000D+03, 1.3000D+03, 1.3000D+03, & ! + \n & 1.3000D+03, 1.3000D+03, 1.3000D+03, 1.3000D+03, 1.3000D+03, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.3000D+03, 1.3000D+03, & ! 4 \n & 1.0400D+03, 1.0400D+03, 1.3000D+03, 1.3000D+03, 1.3000D+03, & ! + \n & 1.3000D+03, 1.3000D+03, 1.3000D+03, 1.3000D+03, 9.8000D+02, & ! 5 \n & 0.0000D+00, 9.8000D+02, 1.3000D+03, 1.3000D+03, 1.3000D+03, & ! + \n & 9.8000D+02, 1.3000D+03, 3.9000D+02, 1.5800D+02, 4.3100D+02, & ! 6 \n & 4.6700D+02, 7.0800D+02, 7.0800D+02, 7.0800D+02, 7.0800D+02, & ! + \n & 7.0800D+02, 7.0800D+02, 7.0800D+02, 2.2100D+02, 7.0800D+02, & ! 7 \n & 0.0000D+00, 7.0800D+02, 0.0000D+00, 7.0800D+02, 0.0000D+00, & ! + \n & 7.0800D+02, 0.0000D+00, 5.0000D+02, 5.0000D+02, 5.0000D+02, & ! 8 \n & 5.0800D+02, 5.0800D+02, 2.2100D+02, 2.2100D+02, 0.0000D+00, & ! + \n & 2.2100D+02, 7.0800D+02, 7.0800D+02, 7.0800D+02, 7.0800D+02, & ! 9 \n & 5.0000D+02, 7.0800D+02, 7.0800D+02, 0.0000D+00, 1.5100D+03, & ! + \n & 2.1100D+02, 4.6000D+02, 5.2200D+02, 7.6500D+02, 7.6500D+02, & ! O \n & 7.6500D+02, 7.6500D+02, 7.6500D+02, 7.6500D+02, 7.6500D+02, & ! + \n & 2.2100D+02, 7.6500D+02, 0.0000D+00, 7.6500D+02, 0.0000D+00, & ! 1 \n & 7.6500D+02, 0.0000D+00, 7.6500D+02, 0.0000D+00, 5.0000D+02, & ! + \n & 5.0000D+02, 5.6500D+02, 5.6500D+02, 5.6500D+02, 2.2100D+02, & ! 2 \n & 2.2100D+02, 5.0000D+02, 5.0000D+02, 7.6500D+02, 7.6500D+02, & ! + \n & 7.0800D+02, 7.0800D+02, 5.6500D+02, 7.6500D+02, 7.6500D+02, & ! 3 \n & 7.0800D+02, 1.5600D+03, 5.0000D+02, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+03, & ! + \n & 1.0000D+03, 1.0000D+03, 0.0000D+00, 5.0000D+02, 2.9500D+03, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00,-4.0000D+02, 0.0000D+00, 0.0000D+00, & ! + \n & 3.8000D+02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.4800D+02, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & -2.2830D+03, 0.0000D+00, 0.0000D+00, 3.6000D+02, 9.8000D+02, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 1.3000D+03, 3.6000D+02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 1.3000D+03, 0.0000D+00, 3.6000D+02, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 2.0000D-06, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.6000D+02, 3.6000D+02, & ! 3 \n & 3.6000D+02, 3.6000D+02, 3.6000D+02, 3.6000D+02, 3.6000D+02, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.3000D+03, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 3.6000D+02, 3.6000D+02, 3.6000D+02, 3.6000D+02, & ! 6 \n & 3.6000D+02, 3.6000D+02, 3.6000D+02, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.3000D+03, 0.0000D+00, 1.3000D+03, 3.6000D+02, & ! 8 \n & 0.0000D+00, 7.0800D+02, 7.6500D+02, 0.0000D+00, 1.3000D+03, & ! + \n & 3.6000D+02, 0.0000D+00, 7.0800D+02, 7.6500D+02, 0.0000D+00, & ! 9 \n & 1.3000D+03, 3.6000D+02, 0.0000D+00, 7.0800D+02, 7.6500D+02, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00/ ! + \n INTEGER :: IRRFALL( NFALLOFF )\n\n DATA ( IRRFALL( IRXXN ), IRXXN = 1, NFALLOFF ) / & \n & 50, 51, 53, 54, 56, 60, 61, 62, 68, 71, & \n & 74, 75, 80, 83, 177, 179, 423/\n\n DATA ( RFDAT( 1,IRXXN ), IRXXN = 1, NFALLOFF ) / & \n & 9.2000D+02, 3.1200D+03, 3.0000D-11, 3.6000D-11, 2.7000D+02, & \n & 2.3000D-11, 2.8000D-11, 2.1990D+03, 1.6000D-12, 4.0000D-12, & \n & 1.7000D-12, 0.0000D+00, 8.8000D-12, 8.3000D-13, 9.3000D-12, & \n & 9.3000D-12, 1.0743D+01/\n\n DATA ( RFDAT( 2,IRXXN ), IRXXN = 1, NFALLOFF ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00,-1.0000D-01,-1.0000D+00, & \n & -2.0000D-01, 0.0000D+00, 6.5000D-34, 1.0000D-01,-3.0000D-01, & \n & 2.0000D-01, 0.0000D+00,-8.5000D-01, 2.0000D+00,-1.5000D+00, & \n & -1.5000D+00,-6.7130D-01/\n\n DATA ( RFDAT( 3,IRXXN ), IRXXN = 1, NFALLOFF ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, & \n & 0.0000D+00, 0.0000D+00, 1.3350D+03, 0.0000D+00, 0.0000D+00, & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & \n & 0.0000D+00, 0.0000D+00/\n\n DATA ( RFDAT( 4,IRXXN ), IRXXN = 1, NFALLOFF ) / & \n & 0.0000D+00, 0.0000D+00, 6.0000D-01, 6.0000D-01,-5.9680D-14, & \n & 6.0000D-01, 6.0000D-01, 0.0000D+00, 6.0000D-01, 6.0000D-01, & \n & 6.0000D-01, 0.0000D+00, 6.0000D-01, 6.0000D-01, 6.0000D-01, & \n & 6.0000D-01, 0.0000D+00/\n\n DATA ( RFDAT( 5,IRXXN ), IRXXN = 1, NFALLOFF ) / & \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, 2.7000D+02, & \n & 1.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, & \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & \n & 1.0000D+00, 0.0000D+00/\n\n REAL( 8 ) :: SC( NRXNS,MXPRD )\n\n DATA ( SC( IRXXN, 1 ), IRXXN = 1, NRXNS ) / & \n & 1.0000D+00, 1.0000D+00, 2.0000D+00, 1.0000D+00, 1.0000D+00, & ! O \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 2.0000D-01, 1.0000D+00, & ! + \n & 2.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 2.0000D+00, & ! 1 \n & 1.2200D+00, 1.0000D+00, 1.0000D+00, 1.0000D-01, 1.5000D+00, & ! + \n & 1.0000D+00, 3.4000D-01, 3.0000D-01, 2.0000D+00, 1.0000D+00, & ! 2 \n & 2.0000D+00, 1.0000D+00, 1.5000D+00, 1.5000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 3 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, & ! 4 \n & 1.0000D+00, 2.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 5 \n & 1.0000D+00, 2.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 7.0000D-01, 2.0000D+00, & ! 6 \n & 1.0000D+00, 2.0000D+00, 1.0000D+00, 1.0000D+00, 2.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 7 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 6.5000D-01, 4.7000D-01, 8.2000D-01, & ! 8 \n & 8.3000D-01, 8.2000D-01, 5.3100D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.4000D-01, 1.0000D+00, 1.0000D+00, 9.0000D-01, & ! 9 \n & 8.0000D-01, 1.0000D+00, 1.5000D-01, 4.0000D-01, 3.5000D-01, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 9.7500D-01, 9.4500D-01, & ! O \n & 2.3000D-01, 7.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 5.7000D-01, & ! 1 \n & 1.0000D+00, 3.1300D-01, 1.0000D+00, 1.0000D+00, 5.2000D-01, & ! + \n & 5.2000D-01, 5.6000D-01, 1.0000D+00, 1.5200D-01, 2.0000D-01, & ! 2 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 3.5000D-01, 1.0000D-02, 1.0000D-02, 1.0000D-02, 1.0000D+00, & ! 3 \n & 1.0000D+00, 6.4000D-01, 3.5000D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 8.0000D-02, 2.2000D-01, & ! 4 \n & 4.6000D-01, 9.0000D-01, 8.4000D-01, 4.0000D-02, 1.0000D+00, & ! + \n & 1.9000D-01, 1.6000D-01, 1.0000D-01, 5.0000D-02, 5.0000D-02, & ! 5 \n & 5.0000D-02, 1.0000D+00, 8.0000D-01, 4.3000D-01, 1.1000D-01, & ! + \n & 9.7500D-01, 9.4500D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 6 \n & 1.0000D+00, 6.8000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.5200D-01, 2.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 7 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 6.6000D-01, & ! 8 \n & 2.0000D-01, 1.0000D+00, 7.8000D-01, 8.3000D-01, 0.0000D+00, & ! + \n & 2.0000D-04, 1.0000D-04, 2.0000D-04, 8.2000D-01, 8.2000D-01, & ! 9 \n & 2.0000D+00, 8.2000D-01, 7.7000D-01, 7.7000D-01, 2.0000D+00, & ! + \n & 7.7000D-01, 9.5000D-01, 9.4000D-01, 1.0000D+00, 1.0000D+00, & ! O \n & 1.0000D+00, 6.7000D-01, 7.7000D-01, 6.5000D-01, 1.0000D+00, & ! + \n & 3.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 1 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 2.0000D+00, 2.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 2 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 6.0210D-01, 7.1950D-01, 4.8200D-02, 8.5400D-02, & ! 3 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 4 \n & 4.4000D-01, 4.4000D-01, 1.5000D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 5 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 7.4000D-01, 1.0000D+00, 8.9400D-01, & ! 6 \n & 8.4200D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 6.8000D-01, & ! + \n & 6.8000D-01, 6.8000D-01, 6.8000D-01, 1.0000D+00, 1.0000D+00, & ! 7 \n & 1.0000D+00, 3.7000D-01, 7.5000D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 3.7000D-01, 7.5000D-01, 9.0000D-01, 9.0000D-01, 5.0000D-01, & ! 8 \n & 8.3400D-01, 1.0000D+00, 5.0000D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 2.0000D+00, 1.0000D+00, & ! 9 \n & 1.0000D+00, 2.0000D+00, 5.0000D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 5.0000D-01, 3.9400D-01, 3.4200D-01, 5.0000D-01, 5.0000D-01, & ! O \n & 5.0000D-01, 7.0000D-01, 7.0000D-01, 7.0000D-01, 7.0000D-01, & ! + \n & 5.0000D-01, 6.3000D-01, 5.0000D-01, 8.6000D-01, 5.0000D-01, & ! 1 \n & 6.3000D-01, 5.0000D-01, 7.0000D-01, 5.0000D-01, 2.0000D+00, & ! + \n & 1.0000D+00, 5.0000D-01, 3.3000D-01, 5.0000D-01, 6.3500D-01, & ! 2 \n & 1.0000D+00, 5.0000D-01, 5.0000D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 2.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 5.0000D-01, & ! 3 \n & 1.0000D+00, 1.0000D+00, 2.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 2.5400D-01, 4.8800D-01, 1.0000D+00, 4.7000D-01, 8.6000D-01, & ! 4 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 5 \n & 6.7000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 3.0000D-01, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 6 \n & 1.0000D+00, 1.0000D+00, 2.0000D+00, 2.0000D+00, 1.0000D+00, & ! + \n & 5.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, & ! 7 \n & 9.6000D-01, 9.6000D-01, 9.6000D-01, 9.6000D-01, 9.6000D-01, & ! + \n & 9.6000D-01, 9.6000D-01, 9.6000D-01, 9.6000D-01, 9.6000D-01, & ! 8 \n & 9.6000D-01, 9.6000D-01, 1.0000D+00, 8.5200D-01, 1.0000D+00, & ! + \n & 5.7000D-01, 8.4000D-01, 6.8000D-01, 1.0000D+00, 6.6700D-01, & ! 9 \n & 9.6800D-01, 1.0000D+00, 1.0000D+00, 3.2000D-01, 7.0000D-01, & ! + \n & 6.2000D-01, 9.0000D-01, 4.9000D-01, 8.0000D-02, 6.0000D-01, & ! O \n & 6.5000D-01, 2.0000D-02, 1.0000D+00, 6.1300D-01, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 9.8200D-01, 1.0000D+00, & ! 1 \n & 1.0000D+00, 1.0000D+00, 2.4700D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 2.0000D+00, 5.0000D-01, 0.0000D+00, 1.0000D+00, 1.0000D+00, & ! 2 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 7.2000D-01, 7.2000D-01, & ! 3 \n & 7.2000D-01, 7.2000D-01, 7.2000D-01, 7.2000D-01, 7.4000D-01, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 4 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 5 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.4000D-01, 1.4000D-01, 1.4000D-01, 1.4000D-01, & ! 6 \n & 1.4000D-01, 1.0000D+00, 1.2000D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 7 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 8.4000D-01, 5.9500D-02, 1.0000D-04, & ! 8 \n & 1.0000D+00, 6.8000D-01, 7.0000D-01, 8.4000D-01, 5.9500D-02, & ! + \n & 1.0000D-04, 1.0000D+00, 6.8000D-01, 7.0000D-01, 8.4000D-01, & ! 9 \n & 5.9500D-02, 5.9500D-02, 1.0000D+00, 6.8000D-01, 7.0000D-01, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! O \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 1 \n & 1.0000D+00/ ! + \n\n DATA ( SC( IRXXN, 2 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! O \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 8.0000D-01, 0.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 1 \n & 7.8400D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 5.0000D-01, & ! + \n & 1.0000D+00, 6.6000D-01, 3.0000D-01, 0.0000D+00, 1.0000D+00, & ! 2 \n & 2.0000D+00, 1.0000D+00, 2.5000D-01, 2.5000D-01, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 3 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 7.0000D-01, 0.0000D+00, & ! 6 \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 2.8100D-05, 1.3400D-03, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 3.5000D-01, 5.3000D-01, 1.8000D-01, & ! 8 \n & 1.7000D-01, 1.8000D-01, 1.8900D-01, 3.0000D-01, 2.0000D-02, & ! + \n & 6.0000D-01, 7.0000D-01, 0.0000D+00, 1.0000D+00, 5.0000D-01, & ! 9 \n & 1.0000D+00, 1.0000D+00, 5.0000D-02, 1.0000D-01, 8.0000D-01, & ! + \n & 1.2000D-01, 0.0000D+00, 1.0000D+00, 2.5000D-02, 5.5000D-02, & ! O \n & 7.7000D-01, 3.0000D-01, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 4.3000D-01, & ! 1 \n & 0.0000D+00, 6.8700D-01, 2.0000D+00, 1.0000D+00, 3.3000D-01, & ! + \n & 3.3000D-01, 2.1000D-01, 0.0000D+00, 6.1900D-01, 5.8400D-01, & ! 2 \n & 0.0000D+00, 1.0000D+00, 1.0000D+00, 7.1900D-01, 1.0000D+00, & ! + \n & 6.5000D-01, 4.4000D-01, 4.4000D-01, 4.4000D-01, 0.0000D+00, & ! 3 \n & 0.0000D+00, 3.6000D-01, 6.5000D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 0.0000D+00, 1.5000D-01, 3.2000D-01, & ! 4 \n & 7.0000D-02, 9.0000D-01, 8.4000D-01, 6.7000D-01, 0.0000D+00, & ! + \n & 1.4000D-01, 1.1000D-01, 7.2000D-02, 1.0000D+00, 1.0000D+00, & ! 5 \n & 1.0000D+00, 0.0000D+00, 2.0000D-01, 5.7000D-01, 8.9000D-01, & ! + \n & 2.5000D-02, 5.5000D-02, 0.0000D+00, 1.0000D+00, 1.0000D+00, & ! 6 \n & 1.0000D+00, 3.2000D-01, 1.0000D+00, 2.0000D+00, 1.0000D+00, & ! + \n & 3.3900D-01, 3.2000D-01, 1.0000D+00, 1.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.3100D-01, & ! 8 \n & 5.1000D-02, 1.0000D+00, 9.7000D-01, 9.5000D-01, 1.2000D-03, & ! + \n & 1.3000D-03, 1.3000D-03, 1.3000D-03, 8.2000D-01, 8.2000D-01, & ! 9 \n & 1.0000D+00, 8.2000D-01, 7.7000D-01, 7.7000D-01, 1.0000D+00, & ! + \n & 7.7000D-01, 9.5000D-01, 9.4000D-01, 1.0000D+00, 1.0000D+00, & ! O \n & 1.0000D+00, 1.0000D+00, 2.3000D-01, 3.5000D-01, 5.0000D-01, & ! + \n & 7.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 1 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 2.8700D-01, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 3.9790D-01, 2.8050D-01, 6.7470D-01, 6.3410D-01, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 4.4000D-01, 4.4000D-01, 1.5000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.3700D+00, 7.5000D-01, 8.0000D-02, & ! 6 \n & 1.8000D-02, 1.9500D+00, 1.5000D+00, 7.5000D-01, 1.3700D+00, & ! + \n & 1.2846D+00, 1.3218D+00, 1.2846D+00, 1.3100D+00, 6.8000D-01, & ! 7 \n & 7.5000D-01, 8.6000D-01, 7.5000D-01, 1.0000D+00, 7.5000D-01, & ! + \n & 6.8000D-01, 7.5000D-01, 9.0000D-01, 9.0000D-01, 5.0000D-01, & ! 8 \n & 1.0000D+00, 7.5000D-01, 2.6900D-01, 1.0000D+00, 1.1600D+00, & ! + \n & 3.0500D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 9 \n & 1.0000D+00, 1.0000D+00, 5.0000D-01, 7.0000D-01, 1.0000D+00, & ! + \n & 5.0000D-01, 5.8000D-01, 5.1800D-01, 5.0000D-01, 5.0000D-01, & ! O \n & 5.0000D-01, 1.0000D+00, 9.1460D-01, 9.5180D-01, 9.1460D-01, & ! + \n & 5.0000D-01, 7.0000D-01, 5.0000D-01, 1.4000D-01, 5.0000D-01, & ! 1 \n & 7.0000D-01, 5.0000D-01, 7.0000D-01, 5.0000D-01, 0.0000D+00, & ! + \n & 1.0000D+00, 5.0000D-01, 5.0000D-01, 5.0000D-01, 5.0000D-01, & ! 2 \n & 5.0000D-01, 5.0000D-01, 5.0000D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 3 \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.4000D-01, 5.5000D-02, 1.0000D+00, 7.9000D-01, 7.2000D-01, & ! 4 \n & 1.0000D+00, 9.1460D-01, 9.5180D-01, 9.1460D-01, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 5 \n & 1.0000D+00, 1.0000D+00, 5.3800D-01, 1.0000D+00, 7.0000D-01, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 6 \n & 1.0000D+00, 1.0000D+00, 2.8700D-01, 1.0000D+00, 2.0000D+00, & ! + \n & 5.0000D-01, 5.0400D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 4.8000D-01, 4.8000D-01, 4.8000D-01, 4.8000D-01, 4.8000D-01, & ! + \n & 4.8000D-01, 4.8000D-01, 4.8000D-01, 4.8000D-01, 4.8000D-01, & ! 8 \n & 4.8000D-01, 4.8000D-01, 0.0000D+00, 1.4900D-01, 1.0100D-03, & ! + \n & 4.3000D-01, 5.6000D-01, 3.2000D-01, 4.7700D-01, 3.3300D-01, & ! 9 \n & 9.6800D-01, 1.0000D+00, 0.0000D+00, 1.1430D+00, 3.0000D-01, & ! + \n & 6.3000D-01, 1.0000D-01, 4.9000D-01, 9.2000D-01, 4.0000D-01, & ! O \n & 3.1000D-01, 1.0000D+00, 8.0000D-01, 3.8700D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 2.0000D+00, 2.0000D+00, 1.8000D-02, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 7.5300D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 5.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.8000D-01, 2.8000D-01, & ! 3 \n & 2.8000D-01, 2.8000D-01, 2.8000D-01, 2.8000D-01, 2.6000D-01, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 4 \n & 1.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, & ! 5 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 8.6000D-01, 8.6000D-01, 8.6000D-01, 8.6000D-01, & ! 6 \n & 8.6000D-01, 8.6000D-01, 8.8000D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.6000D-01, 9.0480D-01, 1.8000D-03, & ! 8 \n & 9.4050D-01, 1.3105D+00, 9.4050D-01, 1.6000D-01, 9.0480D-01, & ! + \n & 1.8000D-03, 9.4050D-01, 1.3105D+00, 9.4050D-01, 1.6000D-01, & ! 9 \n & 9.0480D-01, 1.8000D-03, 9.4050D-01, 1.3105D+00, 9.4050D-01, & ! + \n & 8.5400D-02, 4.6400D-01, 1.0410D-01, 2.0360D-01, 2.7920D-01, & ! O \n & 7.4000D-03, 2.8220D-01, 6.5900D-02, 1.7780D-01, 2.3000D-03, & ! + \n & 4.4500D-02, 3.1700D-02, 1.1700D-02, 1.0300D-02, 6.1000D-03, & ! 1 \n & 1.1880D-01/ ! + \n\n DATA ( SC( IRXXN, 3 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 8.0000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 1.2200D+00, 1.0000D+00, 1.0000D+00, 9.0000D-01, 5.0000D-01, & ! + \n & 1.0000D+00, 6.7000D-01, 7.0000D-01, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 1.0000D+00, 2.0000D-01, 2.0000D-01, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, & ! 3 \n & 2.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.0000D-01, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 3.5000D-01, 5.3000D-01, 1.8000D-01, & ! 8 \n & 1.7000D-01, 1.8000D-01, 1.1600D+00, 3.0000D-01, 0.0000D+00, & ! + \n & 1.5000D-01, 4.4000D-01, 0.0000D+00, 0.0000D+00, 8.0000D-01, & ! 9 \n & 4.0000D-01, 2.0000D-01, 1.5000D-01, 6.0000D-02, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.0000D-01, & ! + \n & 1.3000D-01, 1.1000D-01, 0.0000D+00, 1.7000D-01, 1.6000D-01, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.8400D-01, 0.0000D+00, & ! + \n & 3.5000D-01, 7.0000D-02, 7.0000D-02, 7.0000D-02, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 3.5000D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.3000D-01, 8.0000D-02, & ! 4 \n & 3.2000D-01, 5.0000D-02, 1.1000D-01, 7.9000D-01, 0.0000D+00, & ! + \n & 1.0000D-01, 2.8000D-01, 8.0000D-03, 6.0000D-01, 6.0000D-01, & ! 5 \n & 1.5000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 6.8000D-01, 6.6800D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 8.5000D-01, 8.0000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, 4.8000D-02, & ! 8 \n & 2.3100D-01, 1.6000D+00, 7.8000D-01, 8.1000D-01, 8.0000D-04, & ! + \n & 6.0000D-04, 6.0000D-04, 6.0000D-04, 8.2000D-01, 1.0000D+00, & ! 9 \n & 0.0000D+00, 1.0000D+00, 4.9000D-01, 1.0000D+00, 0.0000D+00, & ! + \n & 1.0000D+00, 5.0000D-02, 6.0000D-02, 0.0000D+00, 0.0000D+00, & ! O \n & 1.0000D+00, 3.3000D-01, 1.6000D-01, 1.0000D+00, 5.0000D-01, & ! + \n & 7.0000D-01, 6.1000D-01, 0.0000D+00, 0.0000D+00, 3.2000D-01, & ! 1 \n & 0.0000D+00, 1.0000D+00, 1.0000D+00, 1.2400D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.7710D-01, 2.8050D-01, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 1.5000D-01, 1.5000D-01, 1.5000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 6.3000D-01, 7.5000D-01, 2.6000D-02, & ! 6 \n & 1.4000D-01, 1.5000D-01, 7.0500D-01, 1.2800D+00, 3.2000D-01, & ! + \n & 3.2000D-01, 3.2000D-01, 3.2000D-01, 1.5900D-01, 6.0000D-01, & ! 7 \n & 2.5000D-01, 6.8000D-01, 2.5000D-01, 4.2000D-01, 2.5000D-01, & ! + \n & 7.0000D-01, 7.5000D-01, 1.0000D+00, 1.0000D+00, 1.5000D+00, & ! 8 \n & 3.3400D-01, 5.0000D-01, 5.0000D-01, 1.5000D+00, 1.1600D+00, & ! + \n & 7.7300D-01, 1.0000D+00, 1.0000D+00, 3.2000D-01, 1.0000D+00, & ! 9 \n & 1.0000D+00, 1.0000D+00, 9.6500D-01, 1.0000D+00, 0.0000D+00, & ! + \n & 1.0000D+00, 2.6000D-02, 1.4000D-01, 1.6000D+00, 1.0000D+00, & ! O \n & 1.7100D+00, 3.0000D-01, 3.0000D-01, 3.0000D-01, 3.0000D-01, & ! + \n & 1.0480D+00, 6.0000D-01, 5.0000D-01, 8.6000D-01, 5.0000D-01, & ! 1 \n & 4.2000D-01, 5.0000D-01, 3.0000D-01, 5.0000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 3.3000D-01, 5.0000D-01, 2.6900D-01, & ! 2 \n & 1.0000D+00, 1.1600D+00, 5.0000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 3.2000D-01, 1.0000D+00, 0.0000D+00, 1.0000D+00, 2.8700D-01, & ! 3 \n & 7.0000D-01, 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 9.2000D-02, 2.8000D-01, 1.6000D+00, 7.9000D-01, 1.1000D-01, & ! 4 \n & 0.0000D+00, 8.5400D-02, 4.8200D-02, 8.5400D-02, 7.5000D-01, & ! + \n & 1.0000D+00, 3.8500D-01, 0.0000D+00, 0.0000D+00, 1.0000D+00, & ! 5 \n & 3.3000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 7.0000D-01, & ! + \n & 6.1000D-01, 0.0000D+00, 0.0000D+00, 3.2000D-01, 0.0000D+00, & ! 6 \n & 1.0000D+00, 1.0000D+00, 1.2400D+00, 1.0000D+00, 0.0000D+00, & ! + \n & 2.0200D-01, 1.2100D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 4.8000D-01, 4.8000D-01, 4.8000D-01, 4.8000D-01, 4.8000D-01, & ! + \n & 4.8000D-01, 4.8000D-01, 4.8000D-01, 4.8000D-01, 4.8000D-01, & ! 8 \n & 4.8000D-01, 4.8000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 2.8000D-01, 6.8000D-01, 2.5000D-01, 3.3300D-01, & ! 9 \n & 8.9500D-01, 9.2500D-01, 0.0000D+00, 8.7000D-01, 8.0000D-01, & ! + \n & 4.2000D-01, 9.0000D-01, 5.1000D-01, 9.2000D-01, 4.0000D-01, & ! O \n & 6.6000D-01, 0.0000D+00, 2.0000D-01, 1.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 7.5300D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 7.2000D-01, 7.2000D-01, & ! 3 \n & 7.2000D-01, 7.2000D-01, 7.2000D-01, 7.2000D-01, 7.4000D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 8.6000D-01, 8.6000D-01, 8.6000D-01, 8.6000D-01, & ! 6 \n & 8.6000D-01, 8.6000D-01, 8.8000D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.6000D-01, 3.5700D-02, 1.0000D-04, & ! 8 \n & 5.9500D-02, 3.2000D-01, 3.0000D-01, 1.6000D-01, 3.5700D-02, & ! + \n & 1.0000D-04, 5.9500D-02, 3.2000D-01, 3.0000D-01, 1.6000D-01, & ! 9 \n & 3.5700D-02, 1.0000D-04, 5.9500D-02, 3.2000D-01, 3.0000D-01, & ! + \n & 2.5810D-01, 1.9770D-01, 5.6380D-01, 7.1000D-03, 4.0250D-01, & ! O \n & 1.1900D-01, 1.1650D-01, 4.5790D-01, 1.9240D-01, 1.3400D-01, & ! + \n & 1.7260D-01, 7.6500D-02, 1.6700D-02, 6.0000D-04, 4.9000D-03, & ! 1 \n & 8.0000D-04/ ! + \n\n DATA ( SC( IRXXN, 4 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.0000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 3.5000D-01, 0.0000D+00, 0.0000D+00, 1.0000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 3.3000D-01, 7.0000D-01, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 8.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 6.5000D-01, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 2.5000D-01, 3.0000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 8.8000D-01, 0.0000D+00, 0.0000D+00, 5.0000D-01, & ! 9 \n & 5.0000D-02, 0.0000D+00, 2.0000D-02, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 7.8000D-01, & ! + \n & 1.0000D-01, 2.7000D-01, 0.0000D+00, 5.9000D-02, 5.6000D-02, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 8.0000D-02, 8.0000D-02, 8.0000D-02, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 3.5000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 6.0000D-02, & ! 4 \n & 7.0000D-02, 5.0000D-02, 5.0000D-02, 3.3000D-01, 0.0000D+00, & ! + \n & 2.2000D-01, 1.0000D-02, 2.0000D-03, 6.0000D-01, 6.0000D-01, & ! 5 \n & 4.8000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 6.8000D-01, 3.3200D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 4.2400D-01, 4.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 8.9000D-02, & ! 8 \n & 2.3500D-01, 2.0000D-01, 1.2000D-02, 6.8000D-01, 9.9800D-01, & ! + \n & 9.9800D-01, 9.9800D-01, 9.9800D-01, 1.8000D-01, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 2.8000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 9.5000D-01, 9.4000D-01, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 6.7000D-01, 1.0000D+00, 6.5000D-01, 1.0000D+00, & ! + \n & 1.0000D+00, 3.0000D-02, 0.0000D+00, 0.0000D+00, 6.8000D-01, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.6400D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 4.1000D-01, 4.1000D-01, 8.5000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.5000D-01, 2.6000D-02, & ! 6 \n & 1.9100D-01, 2.5000D-01, 4.5000D-02, 2.1800D-01, 0.0000D+00, & ! + \n & 8.5400D-02, 4.8200D-02, 8.5400D-02, 2.5000D-01, 7.0000D-02, & ! 7 \n & 1.0000D+00, 8.6000D-01, 7.5000D-01, 3.0000D-01, 1.0000D+00, & ! + \n & 7.0000D-01, 2.5000D-01, 1.0000D-01, 1.0000D-01, 2.5000D-01, & ! 8 \n & 2.5000D-01, 2.5000D-01, 1.6600D+00, 5.0000D-01, 1.5000D+00, & ! + \n & 2.0300D-01, 0.0000D+00, 0.0000D+00, 6.8000D-01, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 9.3000D-01, 7.0000D-01, 0.0000D+00, & ! + \n & 5.0000D-01, 2.6000D-02, 1.9100D-01, 2.0000D-01, 9.4000D-01, & ! O \n & 2.9000D-01, 0.0000D+00, 8.5400D-02, 4.8200D-02, 8.5400D-02, & ! + \n & 2.1900D-01, 3.0000D-01, 1.0000D+00, 7.0000D-01, 1.0000D+00, & ! 1 \n & 3.0000D-01, 1.0000D+00, 7.0000D-01, 1.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 7.5000D-01, 3.3400D-01, 5.0000D-01, 5.0000D-01, & ! 2 \n & 5.0000D-01, 1.1600D+00, 3.0000D-02, 0.0000D+00, 0.0000D+00, & ! + \n & 6.8000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.2400D+00, & ! 3 \n & 7.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 5.0300D-01, 4.8500D-01, 2.0000D-01, 1.0000D+00, 1.0000D+00, & ! 4 \n & 1.0000D+00, 5.4880D-01, 7.0430D-01, 5.4880D-01, 3.1800D-01, & ! + \n & 1.0000D+00, 3.8500D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 6.7000D-01, 0.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 3.0000D-02, 0.0000D+00, 0.0000D+00, 6.8000D-01, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 4.6400D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 6.4000D-01, 2.8500D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 4.8000D-01, 4.8000D-01, 4.8000D-01, 4.8000D-01, 4.8000D-01, & ! + \n & 4.8000D-01, 4.8000D-01, 4.8000D-01, 4.8000D-01, 4.8000D-01, & ! 8 \n & 4.8000D-01, 4.8000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 7.2000D-01, 6.8000D-01, 3.5400D-01, 0.0000D+00, & ! 9 \n & 8.9500D-01, 9.2500D-01, 0.0000D+00, 4.6300D-01, 7.4000D-01, & ! + \n & 8.0000D-02, 0.0000D+00, 0.0000D+00, 7.5000D-01, 3.2000D-01, & ! O \n & 3.4000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 8.6000D-01, 8.6000D-01, 8.6000D-01, 8.6000D-01, & ! 6 \n & 8.6000D-01, 0.0000D+00, 8.8000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 9.9800D-01, & ! 8 \n & 4.7020D-01, 5.9500D-02, 5.9500D-02, 0.0000D+00, 0.0000D+00, & ! + \n & 9.9800D-01, 4.7020D-01, 5.9500D-02, 5.9500D-02, 0.0000D+00, & ! 9 \n & 0.0000D+00, 9.9800D-01, 4.7020D-01, 5.9500D-02, 5.9500D-02, & ! + \n & 2.5810D-01, 1.2100D-02, 2.1410D-01, 1.8400D-01, 8.8000D-03, & ! O \n & 7.2610D-01, 3.2000D-02, 1.1560D-01, 4.0000D-04, 3.3490D-01, & ! + \n & 1.0400D-02, 9.0000D-04, 4.8000D-02, 9.0000D-03, 2.2400D-02, & ! 1 \n & 3.9000D-02/ ! + \n\n DATA ( SC( IRXXN, 5 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 4.3400D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 3.4000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 5.0000D-01, 5.0000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 3.5000D-01, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 2.5000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 7.8000D-01, 0.0000D+00, 0.0000D+00, 1.0000D+00, & ! 9 \n & 1.0000D-01, 0.0000D+00, 2.0000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D-01, & ! + \n & 1.0000D-02, 1.0000D-02, 0.0000D+00, 6.1900D-01, 5.8400D-01, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 4.1000D-01, 4.1000D-01, 4.1000D-01, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.7000D-01, 4.0000D-02, & ! 4 \n & 4.0000D-02, 5.0000D-02, 5.0000D-02, 4.0000D-02, 0.0000D+00, & ! + \n & 5.0000D-01, 5.6000D-01, 1.0000D-01, 1.5000D+00, 1.5000D+00, & ! 5 \n & 7.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 3.2000D-01, 3.3200D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 4.2400D-01, 4.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 9.3500D-01, & ! 8 \n & 8.6400D-01, 0.0000D+00, 4.4000D-01, 2.0000D-01, 9.9800D-01, & ! + \n & 9.9800D-01, 9.9800D-01, 9.9800D-01, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 2.8000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 9.5000D-01, 9.4000D-01, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 4.6000D-01, 6.5000D-01, 0.0000D+00, & ! + \n & 3.0000D-01, 2.7000D-01, 0.0000D+00, 0.0000D+00, 6.8000D-01, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.5000D-01, 8.2700D-01, & ! 6 \n & 7.7700D-01, 2.5000D-01, 2.5000D-01, 2.5000D-01, 1.0000D+00, & ! + \n & 5.4880D-01, 7.0430D-01, 5.4880D-01, 2.5000D-01, 3.2000D-01, & ! 7 \n & 0.0000D+00, 3.2000D-01, 1.0000D+00, 3.2000D-01, 0.0000D+00, & ! + \n & 3.2000D-01, 1.0000D+00, 0.0000D+00, 0.0000D+00, 2.5000D-01, & ! 8 \n & 2.5000D-01, 2.5000D-01, 6.7000D-02, 2.5000D-01, 1.7500D+00, & ! + \n & 5.2500D-01, 0.0000D+00, 0.0000D+00, 6.8000D-01, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 3.4800D-01, 7.0000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 1.3000D-01, 4.2000D-02, 5.0000D-01, 6.0000D-02, & ! O \n & 5.0000D-01, 1.0000D+00, 5.4880D-01, 7.0430D-01, 5.4880D-01, & ! + \n & 3.0500D-01, 7.0000D-02, 0.0000D+00, 3.0000D-01, 0.0000D+00, & ! 1 \n & 3.0000D-01, 0.0000D+00, 3.0000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 5.0000D-01, 0.0000D+00, 1.0000D+00, & ! 2 \n & 5.0000D-01, 1.0000D+00, 2.7000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 6.8000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.6400D-01, & ! 3 \n & 7.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 0.0000D+00, 1.8000D-01, 2.0000D-01, & ! 4 \n & 5.0000D-01, 3.6590D-01, 2.4750D-01, 3.6590D-01, 5.0000D-01, & ! + \n & 0.0000D+00, 6.1500D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.0000D-01, & ! + \n & 2.7000D-01, 0.0000D+00, 0.0000D+00, 6.8000D-01, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 1.4900D-01, 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 4.8000D-01, 4.8000D-01, 4.8000D-01, 4.8000D-01, 4.8000D-01, & ! + \n & 4.8000D-01, 4.8000D-01, 4.8000D-01, 4.8000D-01, 4.8000D-01, & ! 8 \n & 4.8000D-01, 4.8000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 6.2000D-01, 3.2000D-01, 2.0400D-01, 0.0000D+00, & ! 9 \n & 7.2000D-02, 7.5000D-02, 0.0000D+00, 2.5000D-01, 7.4000D-01, & ! + \n & 8.3000D-01, 0.0000D+00, 0.0000D+00, 1.7000D-01, 8.0000D-02, & ! O \n & 4.3000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 9.9800D-01, & ! 8 \n & 4.7020D-01, 4.7020D-01, 4.7020D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 9.9800D-01, 4.7020D-01, 4.7020D-01, 4.7020D-01, 0.0000D+00, & ! 9 \n & 0.0000D+00, 9.9800D-01, 4.7020D-01, 4.7020D-01, 4.7020D-01, & ! + \n & 2.5810D-01, 1.5200D-02, 1.5300D-02, 1.8400D-01, 3.1900D-02, & ! O \n & 1.2200D-02, 1.8300D-02, 3.2500D-02, 7.4000D-02, 8.0000D-03, & ! + \n & 5.1300D-02, 5.2600D-02, 2.4600D-02, 1.4600D-02, 5.0300D-02, & ! 1 \n & 1.1400D-02/ ! + \n\n DATA ( SC( IRXXN, 6 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 2.1600D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 6.7000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 5.0000D-01, 5.0000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 8.0000D-02, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 2.8000D-01, 0.0000D+00, 0.0000D+00, 2.0000D-01, & ! 9 \n & 4.0000D-01, 0.0000D+00, 4.0000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D-02, & ! + \n & 7.8000D-01, 7.9000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.0000D-02, & ! 4 \n & 9.0000D-02, 1.4000D-01, 1.4000D-01, 2.0000D-01, 0.0000D+00, & ! + \n & 4.5000D-01, 1.0000D-01, 2.4300D-01, 5.0000D-02, 5.0000D-02, & ! 5 \n & 2.5000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 6.8000D-01, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 5.0400D-01, & ! 8 \n & 1.8000D-02, 0.0000D+00, 6.0000D-02, 9.0000D-02, 0.0000D+00, & ! + \n & 8.5200D-02, 4.8100D-02, 8.5200D-02, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 2.3000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 5.4000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 7.0000D-01, 1.8000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.9800D-01, & ! 6 \n & 2.5100D-01, 0.0000D+00, 2.5000D-01, 2.5000D-01, 5.0000D-01, & ! + \n & 3.6590D-01, 2.4750D-01, 3.6590D-01, 2.5000D-01, 2.5000D-01, & ! 7 \n & 0.0000D+00, 1.4000D-01, 0.0000D+00, 2.7000D-01, 0.0000D+00, & ! + \n & 3.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.2500D-01, & ! 8 \n & 0.0000D+00, 0.0000D+00, 2.5000D-01, 2.5000D-01, 5.0000D-01, & ! + \n & 1.3500D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 2.5000D-01, 3.0000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 2.7300D-01, 3.8100D-01, 0.0000D+00, 5.0000D-01, & ! O \n & 0.0000D+00, 5.0000D-01, 3.6590D-01, 2.4750D-01, 3.6590D-01, & ! + \n & 5.0000D-01, 2.5000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 3.2000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 5.0000D-01, 2.3000D+00, 7.0000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 5.0000D-01, & ! 3 \n & 3.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 5.1900D-01, 2.4000D-02, 0.0000D+00, 2.0000D-02, 8.5000D-01, & ! 4 \n & 2.5000D-01, 3.6590D-01, 3.5220D-01, 4.5730D-01, 2.4000D-02, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 7.0000D-01, & ! + \n & 7.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 1.5000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 4.0000D-02, 4.0000D-02, 4.8000D-01, 4.0000D-02, 4.0000D-02, & ! + \n & 4.8000D-01, 4.0000D-02, 4.0000D-02, 4.8000D-01, 4.0000D-02, & ! 8 \n & 4.0000D-02, 4.8000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 6.8000D-01, 1.5000D-01, 0.0000D+00, & ! 9 \n & 3.2000D-02, 0.0000D+00, 0.0000D+00, 2.3100D-01, 1.8500D-01, & ! + \n & 1.7000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 4.0000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 5.9400D-02, & ! 8 \n & 4.7020D-01, 4.7020D-01, 4.7020D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 5.9400D-02, 4.7020D-01, 4.7020D-01, 4.7020D-01, 0.0000D+00, & ! 9 \n & 0.0000D+00, 4.6930D-01, 4.7020D-01, 4.7020D-01, 4.7020D-01, & ! + \n & 2.5810D-01, 6.2400D-02, 2.9800D-02, 1.8400D-01, 7.6000D-03, & ! O \n & 3.0500D-02, 1.1000D-03, 6.5700D-02, 4.5200D-02, 1.1930D-01, & ! + \n & 1.1180D-01, 4.8900D-02, 8.8100D-02, 7.0200D-02, 2.2000D-03, & ! 1 \n & 2.2660D-01/ ! + \n\n DATA ( SC( IRXXN, 7 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 6.7000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 1.0000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 2.1000D-02, 0.0000D+00, 0.0000D+00, 1.0000D-01, & ! 9 \n & 9.4000D-01, 0.0000D+00, 5.0000D-02, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 6.8000D-02, & ! 4 \n & 3.7000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 5.4000D-01, 8.0000D-02, 5.0000D-02, 5.0000D-02, & ! 5 \n & 2.5000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.3200D-01, & ! 8 \n & 4.5000D-02, 0.0000D+00, 1.3000D-01, 2.0000D-02, 9.9800D-01, & ! + \n & 5.4770D-01, 7.0290D-01, 5.4770D-01, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 3.0000D-01, 7.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.9700D-01, & ! 6 \n & 6.1800D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.5000D-01, & ! + \n & 3.6590D-01, 3.5220D-01, 4.5730D-01, 2.3000D-02, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 2.5000D-01, 0.0000D+00, 2.5000D-01, & ! + \n & 1.0500D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 2.5000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 6.6200D-01, 8.2400D-01, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 2.5000D-01, 3.6590D-01, 3.5220D-01, 4.5730D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 2.7000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 5.0000D-01, 1.8000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 1.4700D-01, 2.4100D-01, 0.0000D+00, 9.0000D-02, 4.0000D-02, & ! 4 \n & 2.5000D-01, 5.4880D-01, 5.9960D-01, 4.5730D-01, 3.3000D-02, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.0000D-01, & ! + \n & 1.8000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 4.0000D-02, 0.0000D+00, 0.0000D+00, & ! + \n & 4.0000D-02, 0.0000D+00, 0.0000D+00, 4.0000D-02, 0.0000D+00, & ! 8 \n & 0.0000D+00, 4.0000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.7000D-02, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.7000D-02, 6.0000D-02, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.6930D-01, & ! 8 \n & 4.7020D-01, 4.7020D-01, 4.7020D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 4.6930D-01, 4.7020D-01, 4.7020D-01, 4.7020D-01, 0.0000D+00, & ! 9 \n & 0.0000D+00, 4.6930D-01, 4.7020D-01, 4.7020D-01, 4.7020D-01, & ! + \n & 2.5810D-01, 3.8800D-02, 9.6000D-03, 1.8400D-01, 1.9400D-02, & ! O \n & 7.0000D-03, 6.6000D-02, 4.6000D-03, 6.3100D-02, 7.5800D-02, & ! + \n & 1.3000D-03, 1.5500D-01, 9.1600D-02, 1.5300D-02, 8.7900D-02, & ! 1 \n & 2.2660D-01/ ! + \n\n DATA ( SC( IRXXN, 8 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 9.0000D-02, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 2.0000D-01, 0.0000D+00, 5.8000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.3000D-01, & ! 4 \n & 2.6000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 7.0000D-02, 4.2000D-01, 8.0000D-02, 8.0000D-02, & ! 5 \n & 1.1000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.6500D-01, & ! 8 \n & 2.0300D-01, 0.0000D+00, 3.0000D-02, 5.0000D-02, 4.9900D-01, & ! + \n & 3.6510D-01, 2.4700D-01, 3.6510D-01, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 2.1000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 5.0000D-02, & ! 6 \n & 2.5000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.5000D-01, & ! + \n & 5.4880D-01, 5.9960D-01, 4.5730D-01, 1.8000D-02, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 2.5000D-01, 0.0000D+00, 2.5000D-01, & ! + \n & 2.5000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 5.0000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 6.7000D-02, 5.0000D-01, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 2.5000D-01, 5.4880D-01, 5.9960D-01, 4.5730D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 1.0830D+00, 1.0500D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 7.5000D-02, 6.0000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.1000D-02, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 2.1000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.9000D-02, 1.5000D-02, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.6930D-01, & ! 8 \n & 0.0000D+00, 4.7020D-01, 4.7020D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 4.6930D-01, 0.0000D+00, 4.7020D-01, 4.7020D-01, 0.0000D+00, & ! 9 \n & 0.0000D+00, 4.6930D-01, 0.0000D+00, 4.7020D-01, 4.7020D-01, & ! + \n & 2.5810D-01, 4.9100D-02, 1.8900D-02, 1.8400D-01, 1.0400D-02, & ! O \n & 2.9100D-02, 5.3500D-02, 3.0700D-02, 7.0000D-04, 2.9200D-02, & ! + \n & 1.3370D-01, 1.5500D-02, 7.3000D-03, 1.0380D-01, 1.3840D-01, & ! 1 \n & 2.2660D-01/ ! + \n\n DATA ( SC( IRXXN, 9 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 1.0000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 1.0000D-01, 0.0000D+00, 8.0000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.0000D-02, & ! 4 \n & 1.0000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 7.0000D-02, 2.8000D-02, 6.5000D-01, 7.0000D-01, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.2000D-02, & ! 8 \n & 3.3000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.4950D-01, & ! + \n & 3.6510D-01, 3.5150D-01, 4.5640D-01, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.5000D-01, & ! 6 \n & 2.5000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.6000D-02, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.9200D-01, & ! + \n & 2.5000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 5.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 5.0000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 9.5000D-02, 6.3000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.6930D-01, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 4.6930D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 4.6930D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 2.5810D-01, 3.9800D-02, 4.5600D-02, 1.8400D-01, 5.1000D-02, & ! O \n & 4.5400D-02, 2.4600D-02, 2.4000D-03, 6.0000D-04, 7.6600D-02, & ! + \n & 4.0300D-02, 1.0510D-01, 9.7200D-02, 3.1000D-03, 1.4630D-01, & ! 1 \n & 2.2660D-01/ ! + \n\n DATA ( SC( IRXXN, 10 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 1.4000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.5000D-02, & ! 4 \n & 1.0000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0000D-01, 4.9100D-01, 0.0000D+00, 6.5000D-01, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 6.5000D-02, & ! 8 \n & 2.1700D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.4950D-01, & ! + \n & 5.4770D-01, 5.9840D-01, 4.5640D-01, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.5000D-01, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 2.4700D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.6930D-01, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 4.6930D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 2.5810D-01, 1.8300D-02, 3.1400D-02, 1.8400D-01, 7.5000D-03, & ! O \n & 2.3400D-02, 5.4000D-03, 3.9500D-02, 2.2700D-02, 2.7700D-02, & ! + \n & 5.1100D-02, 1.3000D-03, 4.5600D-02, 1.6500D-01, 4.3200D-02, & ! 1 \n & 2.2660D-01/ ! + \n\n DATA ( SC( IRXXN, 11 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 2.8000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 6.0000D-03, & ! 4 \n & 9.0000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 3.0000D-03, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 3.3000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 4.8000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 3.0800D-02, 1.9900D-02, 1.8400D-01, 5.1200D-02, & ! O \n & 3.5200D-02, 1.0680D-01, 2.1500D-02, 5.8500D-02, 1.1800D-02, & ! + \n & 6.8000D-03, 5.3500D-02, 2.4000D-03, 1.5660D-01, 9.5700D-02, & ! 1 \n & 2.2660D-01/ ! + \n\n DATA ( SC( IRXXN, 12 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 1.5000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.2000D-02, & ! 4 \n & 4.5700D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 4.4000D-02, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 2.7200D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 2.7500D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 4.0000D-03, 4.5900D-02, 1.8400D-01, 4.6200D-02, & ! O \n & 6.2400D-02, 1.0680D-01, 5.3900D-02, 6.4900D-02, 6.5100D-02, & ! + \n & 2.3600D-02, 8.6000D-03, 4.7900D-02, 7.2400D-02, 3.1600D-02, & ! 1 \n & 2.2660D-01/ ! + \n\n DATA ( SC( IRXXN, 13 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 5.6000D-01, & ! 4 \n & 7.3000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 1.3600D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 7.9400D-02, 4.5200D-02, 1.8400D-01, 5.1200D-02, & ! O \n & 5.1800D-02, 1.0680D-01, 5.1600D-02, 1.7400D-02, 7.0900D-02, & ! + \n & 2.9300D-02, 4.2600D-02, 7.4500D-02, 6.2000D-03, 5.8500D-02, & ! 1 \n & 2.2660D-01/ ! + \n\n DATA ( SC( IRXXN, 14 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D-02, & ! 4 \n & 1.1000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 7.9400D-02, 4.5500D-02, 0.0000D+00, 1.3800D-02, & ! O \n & 5.0900D-02, 1.0680D-01, 5.1900D-02, 1.5400D-02, 6.6800D-02, & ! + \n & 7.3300D-02, 5.8200D-02, 6.0700D-02, 1.3980D-01, 5.7100D-02, & ! 1 \n & 0.0000D+00/ ! + \n\n DATA ( SC( IRXXN, 15 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.4000D-01, & ! 4 \n & 1.7000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 7.9400D-02, 3.2500D-02, 0.0000D+00, 1.3500D-02, & ! O \n & 3.4700D-02, 1.0680D-01, 3.7100D-02, 1.7000D-02, 4.2300D-02, & ! + \n & 5.2300D-02, 6.6100D-02, 1.5500D-02, 2.1600D-02, 5.7100D-02, & ! 1 \n & 0.0000D+00/ ! + \n\n DATA ( SC( IRXXN, 16 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.0000D-02, & ! 4 \n & 4.4000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 7.9400D-02, 3.6900D-02, 0.0000D+00, 6.4600D-02, & ! O \n & 7.4800D-02, 1.0680D-01, 4.2100D-02, 8.1800D-02, 9.1100D-02, & ! + \n & 5.9500D-02, 5.0600D-02, 7.8600D-02, 3.8400D-02, 5.7100D-02, & ! 1 \n & 0.0000D+00/ ! + \n\n DATA ( SC( IRXXN, 17 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.0000D-02, & ! 4 \n & 1.7000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 7.9400D-02, 2.6000D-03, 0.0000D+00, 6.4600D-02, & ! O \n & 1.6300D-02, 1.0680D-01, 1.0500D-02, 8.1800D-02, 6.6000D-03, & ! + \n & 4.1000D-03, 1.1400D-02, 7.8600D-02, 5.2600D-02, 5.7100D-02, & ! 1 \n & 0.0000D+00/ ! + \n\n DATA ( SC( IRXXN, 18 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 6.0000D-02, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 7.9400D-02, 3.9000D-02, 0.0000D+00, 6.4600D-02, & ! O \n & 6.2000D-03, 1.0680D-01, 4.4500D-02, 8.1800D-02, 2.5000D-03, & ! + \n & 2.3000D-03, 6.9800D-02, 7.8600D-02, 5.2600D-02, 5.7100D-02, & ! 1 \n & 0.0000D+00/ ! + \n\n DATA ( SC( IRXXN, 19 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D-02, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 7.9400D-02, 3.9000D-02, 0.0000D+00, 6.4600D-02, & ! O \n & 2.4400D-02, 1.0680D-01, 4.4500D-02, 8.1800D-02, 2.9700D-02, & ! + \n & 6.2800D-02, 6.9800D-02, 7.8600D-02, 5.2600D-02, 5.7100D-02, & ! 1 \n & 0.0000D+00/ ! + \n\n DATA ( SC( IRXXN, 20 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.0000D-02, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 7.9400D-02, 3.9000D-02, 0.0000D+00, 6.4600D-02, & ! O \n & 2.4400D-02, 1.0680D-01, 4.4500D-02, 8.1800D-02, 2.9700D-02, & ! + \n & 6.2800D-02, 6.9800D-02, 7.8600D-02, 5.2600D-02, 5.7100D-02, & ! 1 \n & 0.0000D+00/ ! + \n\n DATA ( SC( IRXXN, 21 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 6.0000D-02, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 7.9400D-02, 3.9000D-02, 0.0000D+00, 6.4600D-02, & ! O \n & 2.4400D-02, 1.0680D-01, 4.4500D-02, 8.1800D-02, 2.9700D-02, & ! + \n & 6.2800D-02, 6.9800D-02, 7.8600D-02, 5.2600D-02, 5.7100D-02, & ! 1 \n & 0.0000D+00/ ! + \n\n DATA ( SC( IRXXN, 22 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 7.9400D-02, 3.9000D-02, 0.0000D+00, 6.4600D-02, & ! O \n & 2.4400D-02, 0.0000D+00, 4.4500D-02, 8.1800D-02, 2.9700D-02, & ! + \n & 6.2800D-02, 6.9800D-02, 7.8600D-02, 5.2600D-02, 5.7100D-02, & ! 1 \n & 0.0000D+00/ ! + \n\n DATA ( SC( IRXXN, 23 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 7.9400D-02, 3.9000D-02, 0.0000D+00, 6.4600D-02, & ! O \n & 2.4400D-02, 0.0000D+00, 4.4500D-02, 8.1800D-02, 2.9700D-02, & ! + \n & 6.2800D-02, 6.9800D-02, 7.8600D-02, 5.2600D-02, 1.5440D-01, & ! 1 \n & 0.0000D+00/ ! + \n\n DATA ( SC( IRXXN, 24 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 3.9000D-02, 0.0000D+00, 6.4600D-02, & ! O \n & 2.4400D-02, 0.0000D+00, 4.4500D-02, 8.1800D-02, 2.9700D-02, & ! + \n & 6.2800D-02, 6.9800D-02, 7.8600D-02, 5.2600D-02, 0.0000D+00, & ! 1 \n & 0.0000D+00/ ! + \n\n DATA ( SC( IRXXN, 25 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 3.9000D-02, 0.0000D+00, 1.7530D-01, & ! O \n & 2.4400D-02, 0.0000D+00, 4.4500D-02, 2.2200D-01, 2.9700D-02, & ! + \n & 6.2800D-02, 6.9800D-02, 1.7300D-01, 5.2600D-02, 0.0000D+00, & ! 1 \n & 0.0000D+00/ ! + \n\n DATA ( SC( IRXXN, 26 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 3.9000D-02, 0.0000D+00, 0.0000D+00, & ! O \n & 2.4400D-02, 0.0000D+00, 4.4500D-02, 0.0000D+00, 2.9700D-02, & ! + \n & 6.2800D-02, 6.9800D-02, 0.0000D+00, 1.2800D-01, 0.0000D+00, & ! 1 \n & 0.0000D+00/ ! + \n\n DATA ( SC( IRXXN, 27 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 9.2500D-02, 0.0000D+00, 0.0000D+00, & ! O \n & 2.4400D-02, 0.0000D+00, 1.0550D-01, 0.0000D+00, 2.9700D-02, & ! + \n & 6.2800D-02, 1.6560D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00/ ! + \n\n DATA ( SC( IRXXN, 28 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 5.3700D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 6.5400D-02, & ! + \n & 1.4890D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00/ ! + \n\n INTEGER :: NREACT( NRXNS )\n\n DATA ( NREACT( IRXXN ), IRXXN = 1, NRXNS ) / & \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! O \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! 1 \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! 2 \n & 1, 1, 1, 1, 1, 1, 1, 1, 2, 2, & ! 3 \n & 2, 2, 1, 2, 1, 1, 1, 1, 2, 2, & ! 4 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 2, 2, 2, 2, 1, 1, & ! 6 \n & 2, 1, 2, 2, 2, 1, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 2, 2, 1, 2, & ! 9 \n & 2, 2, 1, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 1 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 2 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 1, 1, 2, 1, 2, 1, & ! 7 \n & 2, 1, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 9 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 1 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 2 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 9 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 1 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 2 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 1, 2, 2, 2, 2, 2, 2, & ! 9 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 2, 2, 2, 2, 1, 1, & ! 1 \n & 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, & ! 2 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 1, 1, 1, 1, 1, 1, & ! 5 \n & 1, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 9 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 2, 2/ ! 1 \n INTEGER :: NPRDCT( NRXNS )\n\n DATA ( NPRDCT( IRXXN ), IRXXN = 1, NRXNS ) / & \n & 1, 1, 1, 2, 1, 2, 2, 2, 4, 1, & ! O \n & 2, 3, 3, 2, 2, 6, 3, 3, 4, 3, & ! 1 \n & 3, 7, 4, 1, 2, 2, 3, 6, 6, 3, & ! 2 \n & 3, 3, 3, 3, 2, 4, 2, 2, 1, 1, & ! 3 \n & 1, 1, 1, 0, 1, 1, 1, 1, 0, 1, & ! 4 \n & 1, 1, 1, 1, 2, 1, 1, 1, 1, 1, & ! 5 \n & 1, 1, 2, 3, 1, 2, 1, 1, 2, 1, & ! 6 \n & 1, 2, 1, 3, 1, 1, 1, 2, 2, 1, & ! 7 \n & 1, 1, 5, 3, 3, 3, 3, 12, 4, 2, & ! 8 \n & 3, 7, 1, 2, 7, 9, 3, 9, 3, 2, & ! 9 \n & 2, 1, 2, 2, 2, 2, 2, 2, 1, 1, & ! O \n & 1, 1, 1, 2, 2, 1, 2, 2, 2, 6, & ! 1 \n & 6, 6, 1, 5, 5, 1, 2, 2, 3, 2, & ! 2 \n & 3, 5, 5, 5, 1, 1, 2, 4, 3, 3, & ! 3 \n & 2, 2, 1, 5, 21, 17, 6, 6, 6, 1, & ! 4 \n & 6, 10, 12, 9, 10, 8, 1, 2, 2, 2, & ! 5 \n & 2, 2, 1, 3, 2, 2, 6, 6, 3, 3, & ! 6 \n & 5, 5, 2, 2, 1, 1, 1, 2, 1, 2, & ! 7 \n & 1, 2, 3, 3, 10, 13, 4, 8, 8, 10, & ! 8 \n & 10, 10, 10, 4, 3, 2, 3, 6, 3, 2, & ! 9 \n & 3, 5, 5, 2, 2, 3, 4, 6, 5, 4, & ! O \n & 7, 8, 2, 2, 5, 2, 3, 3, 4, 3, & ! 1 \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! 2 \n & 1, 2, 2, 3, 3, 1, 1, 1, 1, 1, & ! 3 \n & 1, 1, 1, 1, 1, 4, 4, 4, 1, 1, & ! 4 \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! 5 \n & 1, 1, 3, 5, 10, 9, 5, 6, 6, 8, & ! 6 \n & 8, 8, 8, 9, 6, 4, 6, 5, 6, 4, & ! 7 \n & 6, 5, 4, 4, 6, 5, 5, 8, 6, 9, & ! 8 \n & 9, 3, 3, 5, 3, 3, 3, 8, 6, 2, & ! 9 \n & 4, 9, 8, 5, 6, 5, 8, 8, 8, 8, & ! O \n & 6, 6, 4, 5, 4, 7, 4, 5, 4, 1, & ! 1 \n & 2, 4, 5, 4, 5, 6, 8, 9, 2, 2, & ! 2 \n & 5, 3, 2, 3, 6, 6, 1, 1, 3, 3, & ! 3 \n & 9, 12, 4, 7, 7, 7, 7, 7, 7, 8, & ! 4 \n & 4, 5, 2, 2, 3, 4, 3, 4, 4, 7, & ! 5 \n & 8, 2, 2, 5, 2, 3, 3, 4, 3, 2, & ! 6 \n & 6, 5, 1, 1, 0, 6, 6, 7, 6, 6, & ! 7 \n & 7, 6, 6, 7, 6, 6, 7, 1, 2, 2, & ! 8 \n & 2, 5, 6, 7, 3, 6, 5, 1, 8, 8, & ! 9 \n & 6, 3, 3, 5, 5, 6, 2, 3, 3, 1, & ! O \n & 1, 2, 2, 2, 1, 1, 1, 3, 1, 1, & ! 1 \n & 1, 2, 0, 1, 1, 1, 1, 1, 1, 1, & ! 2 \n & 1, 1, 1, 3, 3, 3, 3, 3, 3, 3, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 1, 1, 1, & ! 4 \n & 1, 1, 1, 1, 2, 2, 2, 2, 2, 2, & ! 5 \n & 2, 4, 4, 4, 4, 4, 3, 4, 3, 3, & ! 6 \n & 3, 3, 3, 3, 3, 1, 1, 1, 1, 1, & ! 7 \n & 1, 1, 3, 3, 10, 7, 8, 8, 3, 3, & ! 8 \n & 10, 7, 8, 8, 3, 3, 9, 7, 8, 8, & ! 9 \n & 10, 23, 27, 13, 25, 28, 21, 27, 25, 28, & ! O \n & 28, 27, 25, 26, 23, 13/ ! 1 \n\n INTEGER, PARAMETER :: MHETERO = 7\n INTEGER :: IHETERO( MHETERO,2 )\n\n DATA ( IHETERO( IRXXN,1 ), IRXXN = 1, MHETERO ) / & \n & 419, 420, 421, 422, 424, 425, 426/\n\n DATA ( IHETERO( IRXXN,2 ), IRXXN = 1, MHETERO ) / & \n & 1, 2, 3, 4, 5, 6, 7/\n\n INTEGER, PARAMETER :: NPHOTAB = 33\n CHARACTER( 16 ) :: PHOTAB( NPHOTAB )\n\n DATA ( PHOTAB( IRXXN ), IRXXN = 1, NPHOTAB ) / & \n & 'O3O3P_NASA06 ', 'O3O1D_NASA06 ', 'H2O2_RACM2 ', & \n & 'NO2_RACM2 ', 'NO3NO_RACM2 ', 'NO3NO2_RACM2 ', & \n & 'HONO_RACM2 ', 'HNO3_RACM2 ', 'HNO4_RACM2 ', & \n & 'HCHO_MOL_JPL19 ', 'HCHO_RAD_JPL19 ', 'CH3CHO_RACM2 ', & \n & 'ALD_JPL19 ', 'CH3COCH3A_JPL19 ', 'CH3COCH3B_JPL19 ', & \n & 'UALD_RACM2 ', 'MEK_JGR19 ', 'KET_JGR19 ', & \n & 'HKET_RACM2 ', 'MACR_RACM2 ', 'MVK_RACM2 ', & \n & 'GLYH2_RACM2 ', 'GLYF_RACM2 ', 'GLYHX_RACM2 ', & \n & 'MGLY_RACM2 ', 'BALD_RACM2 ', 'OP1_RACM2 ', & \n & 'PAA_RACM2 ', 'ONIT_RACM2 ', 'PAN1_RACM2 ', & \n & 'PAN2_RACM2 ', 'HCHO_RAD_RACM2 ', 'ACRO_09 '/\n\n INTEGER, PARAMETER :: NHETERO = 7\n CHARACTER( 16 ) :: HETERO( NHETERO )\n\n DATA ( HETERO( IRXXN ), IRXXN = 1, NHETERO ) / & \n & 'HETERO_GLY ', 'HETERO_MGLY ', 'HETERO_N2O5IJ ', &\n & 'HETERO_NO2 ', 'HETERO_IEPOX ', 'HETERO_ISO3NOSJ ', &\n & 'HETERO_ISO3OSJ '/\n\n CHARACTER( 16 ) :: RXLABEL( NRXNS )\n\n DATA ( RXLABEL( IRXXN ), IRXXN = 1, NRXNS ) / & \n & 'R001 ', 'R002 ', 'R003 ', & ! 0 \n & 'R004 ', 'R005 ', 'R006 ', & ! 1 \n & 'R007 ', 'R008 ', 'R009 ', & ! 2 \n & 'R010 ', 'R011 ', 'R012 ', & ! 3 \n & 'R013 ', 'R014 ', 'R014a ', & ! 4 \n & 'R015 ', 'TRP01 ', 'TRP02 ', & ! 5 \n & 'R016 ', 'R017 ', 'R018 ', & ! 6 \n & 'R019 ', 'R020 ', 'R021 ', & ! 7 \n & 'R022 ', 'R023 ', 'R024 ', & ! 8 \n & 'R025 ', 'R026 ', 'R027 ', & ! 9 \n & 'R028 ', 'R029 ', 'TRP03 ', & ! 0 \n & 'R029a ', 'R030 ', 'R031 ', & ! 1 \n & 'R032 ', 'R033 ', 'R034 ', & ! 2 \n & 'R035 ', 'R036 ', 'R037 ', & ! 3 \n & 'R038 ', 'R039 ', 'R040 ', & ! 4 \n & 'R041 ', 'R042 ', 'R043 ', & ! 5 \n & 'R044 ', 'R045 ', 'R046 ', & ! 6 \n & 'R047 ', 'R048 ', 'R049 ', & ! 7 \n & 'R050 ', 'R051 ', 'R052 ', & ! 8 \n & 'R053 ', 'R054 ', 'R055 ', & ! 9 \n & 'R056 ', 'R057 ', 'R058 ', & ! 0 \n & 'R059 ', 'R060 ', 'R061 ', & ! 1 \n & 'R062 ', 'R063 ', 'R064 ', & ! 2 \n & 'R065 ', 'R066 ', 'R067 ', & ! 3 \n & 'R068 ', 'R069 ', 'R070 ', & ! 4 \n & 'R071 ', 'R072 ', 'R073 ', & ! 5 \n & 'R074 ', 'R076 ', 'R077 ', & ! 6 \n & 'R078 ', 'R080 ', 'ROCARO31 ', & ! 7 \n & 'ROCARO41 ', 'ROCARO51 ', 'ROCARO61 ', & ! 8 \n & 'RAM01 ', 'RAM02 ', 'RAM03 ', & ! 9 \n & 'RAM04 ', 'RAM05 ', 'RAM06 ', & ! 0 \n & 'RAM07 ', 'RAM08 ', 'RAM9 ', & ! 1 \n & 'RAM10 ', 'RAM11 ', 'RAM12 ', & ! 2 \n & 'RAM13 ', 'RAM14 ', 'RAM15 ', & ! 3 \n & 'RAM16 ', 'R087 ', 'R088 ', & ! 4 \n & 'TRP04 ', 'TRP05 ', 'R089 ', & ! 5 \n & 'R090 ', 'R091 ', 'R092 ', & ! 6 \n & 'R093 ', 'R094 ', 'R095 ', & ! 7 \n & 'R096 ', 'R097 ', 'R098 ', & ! 8 \n & 'R099 ', 'R100 ', 'R101 ', & ! 9 \n & 'R102 ', 'R103 ', 'R104 ', & ! 0 \n & 'R105 ', 'R106 ', 'R108 ', & ! 1 \n & 'R109 ', 'R110 ', 'R111 ', & ! 2 \n & 'R112 ', 'R113 ', 'R114 ', & ! 3 \n & 'TRP06 ', 'R114a ', 'R116 ', & ! 4 \n & 'R117 ', 'R118 ', 'R119 ', & ! 5 \n & 'R120 ', 'R121 ', 'R122 ', & ! 6 \n & 'R123 ', 'TRP07 ', 'R126 ', & ! 7 \n & 'R127 ', 'R128 ', 'R131 ', & ! 8 \n & 'R132 ', 'TRP08 ', 'TRP09 ', & ! 9 \n & 'R133 ', 'R134 ', 'R135 ', & ! 0 \n & 'R136 ', 'R137 ', 'R138 ', & ! 1 \n & 'R140 ', 'R141 ', 'R142 ', & ! 2 \n & 'R143 ', 'R146 ', 'R147 ', & ! 3 \n & 'TRP10 ', 'R148 ', 'R149 ', & ! 4 \n & 'R150 ', 'R151 ', 'R152 ', & ! 5 \n & 'R153 ', 'R154 ', 'R155 ', & ! 6 \n & 'R156 ', 'R158 ', 'R159 ', & ! 7 \n & 'TRP11 ', 'TRP12 ', 'R166 ', & ! 8 \n & 'R167 ', 'R168 ', 'R169 ', & ! 9 \n & 'R170 ', 'R171 ', 'R172 ', & ! 0 \n & 'R173 ', 'R174 ', 'R175 ', & ! 1 \n & 'R177 ', 'R178 ', 'R179 ', & ! 2 \n & 'ROCARO33 ', 'ROCARO43 ', 'ROCARO53 ', & ! 3 \n & 'ROCARO63 ', 'R189 ', 'TRP13 ', & ! 4 \n & 'TRP14 ', 'TRP15 ', 'R190 ', & ! 5 \n & 'TRP16 ', 'TRP17 ', 'TRP18 ', & ! 6 \n & 'TRP19 ', 'TRP20 ', 'R191 ', & ! 7 \n & 'R192 ', 'R193 ', 'R194 ', & ! 8 \n & 'R195 ', 'R196 ', 'R197 ', & ! 9 \n & 'R198 ', 'R199 ', 'R200 ', & ! 0 \n & 'R201 ', 'R202 ', 'R203 ', & ! 1 \n & 'R204 ', 'R205 ', 'R206 ', & ! 2 \n & 'R207 ', 'R208 ', 'R209 ', & ! 3 \n & 'R210 ', 'R211 ', 'R212 ', & ! 4 \n & 'R213 ', 'R214 ', 'R215 ', & ! 5 \n & 'R217 ', 'R218 ', 'R219 ', & ! 6 \n & 'ROCARO32 ', 'ROCARO42 ', 'ROCARO52 ', & ! 7 \n & 'ROCARO62 ', 'R229 ', 'TRP21 ', & ! 8 \n & 'TRP22 ', 'TRP23 ', 'R230 ', & ! 9 \n & 'TRP24 ', 'TRP25 ', 'TRP26 ', & ! 0 \n & 'TRP27 ', 'TRP28 ', 'R231 ', & ! 1 \n & 'R232 ', 'R233 ', 'R234 ', & ! 2 \n & 'R235 ', 'R236 ', 'R237 ', & ! 3 \n & 'R238 ', 'R239 ', 'R240 ', & ! 4 \n & 'R241 ', 'R242 ', 'R243 ', & ! 5 \n & 'R244 ', 'R245 ', 'R246 ', & ! 6 \n & 'R247 ', 'R248 ', 'R249 ', & ! 7 \n & 'R250 ', 'R251 ', 'R253 ', & ! 8 \n & 'R254 ', 'R255 ', 'ROCARO35 ', & ! 9 \n & 'ROCARO45 ', 'ROCARO55 ', 'ROCARO65 ', & ! 0 \n & 'R264 ', 'R265 ', 'TRP29 ', & ! 1 \n & 'TRP30 ', 'TRP31 ', 'R266 ', & ! 2 \n & 'TRP32 ', 'TRP33 ', 'TRP34 ', & ! 3 \n & 'R267 ', 'R268 ', 'R269 ', & ! 4 \n & 'R270 ', 'R271 ', 'R272 ', & ! 5 \n & 'R273 ', 'R274 ', 'R275 ', & ! 6 \n & 'R276 ', 'R277 ', 'R278 ', & ! 7 \n & 'R279 ', 'R280 ', 'R281 ', & ! 8 \n & 'R282 ', 'R283 ', 'R284 ', & ! 9 \n & 'R285 ', 'R286 ', 'R287 ', & ! 0 \n & 'R289 ', 'R290 ', 'R291 ', & ! 1 \n & 'ROCARO36 ', 'ROCARO46 ', 'ROCARO56 ', & ! 2 \n & 'ROCARO66 ', 'R300 ', 'R301 ', & ! 3 \n & 'TRP35 ', 'TRP36 ', 'TRP37 ', & ! 4 \n & 'R302 ', 'TRP38 ', 'TRP39 ', & ! 5 \n & 'TRP40 ', 'R303 ', 'R304 ', & ! 6 \n & 'R305 ', 'R306 ', 'R307 ', & ! 7 \n & 'R308 ', 'R309 ', 'R310 ', & ! 8 \n & 'R311 ', 'R312 ', 'R313 ', & ! 9 \n & 'R314 ', 'R315 ', 'R316 ', & ! 0 \n & 'R317 ', 'R318 ', 'R319 ', & ! 1 \n & 'R320 ', 'R321 ', 'R322 ', & ! 2 \n & 'R323 ', 'R324 ', 'R325 ', & ! 3 \n & 'R327 ', 'R328 ', 'R329 ', & ! 4 \n & 'ROCARO34 ', 'ROCARO44 ', 'ROCARO54 ', & ! 5 \n & 'ROCARO64 ', 'R338 ', 'R339 ', & ! 6 \n & 'R340 ', 'R341 ', 'R342 ', & ! 7 \n & 'R343 ', 'R344 ', 'R345 ', & ! 8 \n & 'R346 ', 'R347 ', 'R348 ', & ! 9 \n & 'R349 ', 'R350 ', 'R351 ', & ! 0 \n & 'R352 ', 'R353 ', 'R354 ', & ! 1 \n & 'R355 ', 'R356 ', 'R357 ', & ! 2 \n & 'R358 ', 'R359 ', 'R360 ', & ! 3 \n & 'R361 ', 'R362 ', 'R363 ', & ! 4 \n & 'TRP41 ', 'TRP42 ', 'TRP43 ', & ! 5 \n & 'TRP44 ', 'TRP45 ', 'TRP46 ', & ! 6 \n & 'TRP47 ', 'TRP48 ', 'TRP49 ', & ! 7 \n & 'TRP50 ', 'TRP51 ', 'TRP52 ', & ! 8 \n & 'RAM17 ', 'R001c ', 'R002c ', & ! 9 \n & 'T17 ', 'T18 ', 'T19 ', & ! 0 \n & 'T20 ', 'T10 ', 'T10a ', & ! 1 \n & 'T10b ', 'T10c ', 'T10d ', & ! 2 \n & 'T10e ', 'T11 ', 'T12 ', & ! 3 \n & 'R003c ', 'R004c ', 'R005c ', & ! 4 \n & 'R006c ', 'R007c ', 'R008c ', & ! 5 \n & 'R010c ', 'R011c ', 'R012c ', & ! 6 \n & 'R013c ', 'R014c ', 'R015c ', & ! 7 \n & 'R016c ', 'R017c ', 'R019c ', & ! 8 \n & 'R020c ', 'HET_GLY ', 'HET_MGLY ', & ! 9 \n & 'HET_N2O5 ', 'HET_N02 ', 'HAL_Ozone ', & ! 0 \n & 'HET_IEPOX ', 'HET_ISO3TET ', 'HET_IEPOXOS ', & ! 1 \n & 'ROCALK1c ', 'ROCALK2c ', 'ROCALK3c ', & ! 2 \n & 'ROCALK4c ', 'ROCALK5c ', 'ROCALK6c ', & ! 3 \n & 'HC1001 ', 'ROCALK7c ', 'ROCALK8c ', & ! 4 \n & 'ROCALK9c ', 'ROCALK10c ', 'ROCALK11c ', & ! 5 \n & 'ROCALK12c ', 'HC1002 ', 'ROCALK13c ', & ! 6 \n & 'ROCALK14c ', 'ROCALK15c ', 'ROCALK16c ', & ! 7 \n & 'ROCALK17c ', 'ROCALK18c ', 'HC1003 ', & ! 8 \n & 'ROCALK19c ', 'ROCALK20c ', 'ROCALK21c ', & ! 9 \n & 'ROCALK22c ', 'ROCALK23c ', 'ROCALK24c ', & ! 0 \n & 'HC1004 ', 'ROCALK25c ', 'ROCALK26c ', & ! 1 \n & 'ROCALK27c ', 'ROCALK28c ', 'ROCALK29c ', & ! 2 \n & 'ROCALK30c ', 'HC1005 ', 'ROCALK31c ', & ! 3 \n & 'ROCALK32c ', 'ROCALK33c ', 'ROCALK34c ', & ! 4 \n & 'ROCALK35c ', 'ROCALK36c ', 'HC1006 ', & ! 5 \n & 'ROCALK37c ', 'ROCALK38c ', 'ROCALK39c ', & ! 6 \n & 'ROCALK40c ', 'ROCALK41c ', 'ROCALK42c ', & ! 7 \n & 'HC1007 ', 'ROCALK43c ', 'ROCALK44c ', & ! 8 \n & 'ROCALK45c ', 'ROCALK46c ', 'ROCALK47c ', & ! 9 \n & 'ROCALK48c ', 'HC1008 ', 'ROCARO01 ', & ! 0 \n & 'ROCARO02 ', 'ROCARO03 ', 'ROCARO04 ', & ! 1 \n & 'ROCARO05 ', 'ROCARO06 ', 'ROCARO11 ', & ! 2 \n & 'ROCARO12 ', 'ROCARO13 ', 'ROCARO14 ', & ! 3 \n & 'ROCARO15 ', 'ROCARO16 ', 'ROCARO21 ', & ! 4 \n & 'ROCARO22 ', 'ROCARO23 ', 'ROCARO24 ', & ! 5 \n & 'ROCARO25 ', 'ROCARO26 ', 'ROCOXY1c ', & ! 6 \n & 'ROCOXY2c ', 'ROCOXY3c ', 'ROCOXY4c ', & ! 7 \n & 'ROCOXY5c ', 'ROCOXY6c ', 'ROCOXY7c ', & ! 8 \n & 'ROCOXY8c ', 'ROCOXY9c ', 'ROCOXY10c ', & ! 9 \n & 'ROCOXY11c ', 'ROCOXY12c ', 'ROCOXY13c ', & ! 0 \n & 'ROCOXY14c ', 'ROCOXY15c ', 'ROCOXY16c '/! \n\n! NSPECIAL = Number of special rate coefficients\n! SPECIAL = Names of special rate coefficients\n! NSPECIAL_RXN = Number of reactions with special rates\n! ISPECIAL = Pointers to reactions using special rates and their special rate coefficients\n! MAXSPECTERMS = Max Number of terms type used by special rate coefficients\n! KC_COEFFS = Coefficients of standard rate coefficients times concentration terms \n! INDEX_KTERMS = Pointers to standard rate coefficients in special rate coefficients\n! INDEX_CTERMS = Pointers to species concentrations in special rate coefficients\n! OPERATOR_COEFFS = Coefficients of preceeding special rate coefficients used in special coefficient \n! OPERATORS = Pointers to preceeding special rate coefficients used in special coefficient \n\n! Special Rate information not available ..\n INTEGER, PARAMETER :: NSPECIAL_RXN = 0\n INTEGER :: ISPECIAL( 1, 2 )\n\n! Special Rate information not available ...\n INTEGER, PARAMETER :: NSPECIAL = 0\n\n! Special Rate information not available ...\n CHARACTER( 16 ) :: SPECIAL( 1 )\n\n INTEGER, PARAMETER :: MAXSPECTERMS = 1\n REAL( 8 ) :: KC_COEFFS( NSPECIAL + 1, MAXSPECTERMS)\n INTEGER :: INDEX_KTERMS( NSPECIAL + 1, MAXSPECTERMS)\n INTEGER :: INDEX_CTERMS( NSPECIAL + 1, MAXSPECTERMS)\n REAL( 8 ) :: OPERATOR_COEFFS( NSPECIAL + 1, MAXSPECTERMS)\n INTEGER :: OPERATORS( NSPECIAL + 1, MAXSPECTERMS)\n\n\n! Steady-state species section\n! N_SS_SPC = Number of species assumed to be in steady-state\n! SS_SPC_DIM = Dimension paramete for steady-state species\n! SS_SPC = Names of species assumed to be in steady-state\n! MAX_SS_LOSS = Max no. of SS loss rxns for any SS species\n! MAX_SS_PROD = Max no. of SS prod rxns for any SS species\n! N_LOSS_RXNS = No. of SS loss rxns for each SS species\n! N_PROD_RXNS = No. of SS prod rxns for each SS species\n! SS_LOSS_RXNS = List of SS loss rxns for each SS species\n! SS_PROD_RXNS = List of SS prod rxns for each SS species\n! SS_PROD_COEF = List of SS prod yields for each SS species\n! SS_RCT_IND = SS species index if it is a rxn reactant\n\n INTEGER, PARAMETER :: N_SS_SPC = 0\n\n INTEGER, PARAMETER :: SS_SPC_DIM = 1\n\n INTEGER, PARAMETER :: MAX_SS_LOSS = 0\n\n INTEGER, PARAMETER :: MAX_SS_PROD = 0\n\n CHARACTER( 16 ) :: SS_SPC( 1 )\n\n INTEGER :: N_LOSS_RXNS( 1 )\n INTEGER :: N_PROD_RXNS( 1 )\n INTEGER :: SS_LOSS_RXNS( 1, 1 )\n INTEGER :: SS_PROD_RXNS( 1, 1 )\n INTEGER :: SS_RCT_IND( 1 )\n\n REAL :: SS_PROD_COEF( 1,1 ) \n LOGICAL, PARAMETER :: USE_SPECIAL_RATES = .FALSE.\n! pointers and names to specific photolysis rates\n INTEGER, PARAMETER :: IJ_O3O3P_NASA06 = 1\n INTEGER, PARAMETER :: IJ_O3O1D_NASA06 = 2\n INTEGER, PARAMETER :: IJ_H2O2_RACM2 = 3\n INTEGER, PARAMETER :: IJ_NO2_RACM2 = 4\n INTEGER, PARAMETER :: IJ_NO3NO_RACM2 = 5\n INTEGER, PARAMETER :: IJ_NO3NO2_RACM2 = 6\n INTEGER, PARAMETER :: IJ_HONO_RACM2 = 7\n INTEGER, PARAMETER :: IJ_HNO3_RACM2 = 8\n INTEGER, PARAMETER :: IJ_HNO4_RACM2 = 9\n INTEGER, PARAMETER :: IJ_HCHO_MOL_JPL19 = 10\n INTEGER, PARAMETER :: IJ_HCHO_RAD_JPL19 = 11\n INTEGER, PARAMETER :: IJ_CH3CHO_RACM2 = 12\n INTEGER, PARAMETER :: IJ_ALD_JPL19 = 13\n INTEGER, PARAMETER :: IJ_CH3COCH3A_JPL19 = 14\n INTEGER, PARAMETER :: IJ_CH3COCH3B_JPL19 = 15\n INTEGER, PARAMETER :: IJ_UALD_RACM2 = 16\n INTEGER, PARAMETER :: IJ_MEK_JGR19 = 17\n INTEGER, PARAMETER :: IJ_KET_JGR19 = 18\n INTEGER, PARAMETER :: IJ_HKET_RACM2 = 19\n INTEGER, PARAMETER :: IJ_MACR_RACM2 = 20\n INTEGER, PARAMETER :: IJ_MVK_RACM2 = 21\n INTEGER, PARAMETER :: IJ_GLYH2_RACM2 = 22\n INTEGER, PARAMETER :: IJ_GLYF_RACM2 = 23\n INTEGER, PARAMETER :: IJ_GLYHX_RACM2 = 24\n INTEGER, PARAMETER :: IJ_MGLY_RACM2 = 25\n INTEGER, PARAMETER :: IJ_BALD_RACM2 = 26\n INTEGER, PARAMETER :: IJ_OP1_RACM2 = 27\n INTEGER, PARAMETER :: IJ_PAA_RACM2 = 28\n INTEGER, PARAMETER :: IJ_ONIT_RACM2 = 29\n INTEGER, PARAMETER :: IJ_PAN1_RACM2 = 30\n INTEGER, PARAMETER :: IJ_PAN2_RACM2 = 31\n INTEGER, PARAMETER :: IJ_HCHO_RAD_RACM2 = 32\n INTEGER, PARAMETER :: IJ_ACRO_09 = 33\n INTEGER, PARAMETER :: IK_HETERO_GLY = 1\n INTEGER, PARAMETER :: IK_HETERO_MGLY = 2\n INTEGER, PARAMETER :: IK_HETERO_N2O5IJ = 3\n INTEGER, PARAMETER :: IK_HETERO_NO2 = 4\n INTEGER, PARAMETER :: IK_HETERO_IEPOX = 5\n INTEGER, PARAMETER :: IK_HETERO_ISO3NOSJ = 6\n INTEGER, PARAMETER :: IK_HETERO_ISO3OSJ = 7\n END MODULE RXNS_DATA\n" }, { "path": "CCTM/src/MECHS/cracmm1amore_aq/RXNS_FUNC_MODULE.F90", "content": " MODULE RXNS_FUNCTION\n\n\n IMPLICIT NONE\n\n\n\n! Name of Mechanism CRACMM1AMORE_AQ\n\n PUBLIC :: CALC_RCONST, SPECIAL_RATES, MAP_CHEMISTRY_SPECIES\n\n CONTAINS\n\n\n REAL( 8 ) FUNCTION POWER_T02( TEMPOT300,A0,B0 )\n IMPLICIT NONE\n! rate constant for CMAQ Arrhenuis reaction type 2\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: TEMPOT300\n REAL( 8 ), INTENT( IN ) :: A0\n REAL( 8 ), INTENT( IN ) :: B0\n ! Local: None\n POWER_T02 = A0 * TEMPOT300**B0\n RETURN\n END FUNCTION POWER_T02\n REAL( 8 ) FUNCTION ARRHENUIS_T04( INV_TEMP,TEMPOT300,A0,B0,C0 )\n IMPLICIT NONE\n! rate constant for CMAQ Arrhenuis reaction type 4\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: INV_TEMP\n REAL( 8 ), INTENT( IN ) :: TEMPOT300\n REAL( 8 ), INTENT( IN ) :: A0\n REAL( 8 ), INTENT( IN ) :: B0\n REAL( 8 ), INTENT( IN ) :: C0\n ! Local:\n INTRINSIC DEXP\n ARRHENUIS_T04 = A0 * DEXP( B0 * INV_TEMP ) * TEMPOT300**C0\n RETURN\n END FUNCTION ARRHENUIS_T04\n REAL( 8 ) FUNCTION ARRHENUIS_T03( INV_TEMP,A0,B0 )\n! rate constant for CMAQ Arrhenuis reaction type 3\n IMPLICIT NONE\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: INV_TEMP\n REAL( 8 ), INTENT(IN) :: A0\n REAL( 8 ), INTENT(IN) :: B0\n ! Local:\n INTRINSIC DEXP\n ARRHENUIS_T03 = A0 * DEXP( B0 * INV_TEMP )\n RETURN\n END FUNCTION ARRHENUIS_T03 \n REAL( 8 ) FUNCTION FALLOFF_T08(INV_TEMP,CAIR,A0,C0,A2,C2,A3,C3)\n! rate constant for CMAQ fall off reaction type 8\n IMPLICIT NONE\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: INV_TEMP\n REAL( 8 ), INTENT( IN ) :: CAIR\n REAL( 8 ), INTENT( IN ) :: A0\n REAL( 8 ), INTENT( IN ) :: C0\n REAL( 8 ), INTENT( IN ) :: A2\n REAL( 8 ), INTENT( IN ) :: C2\n REAL( 8 ), INTENT( IN ) :: A3\n REAL( 8 ), INTENT( IN ) :: C3\n ! Local:\n REAL( 8 ) K0\n REAL( 8 ) K2\n REAL( 8 ) K3\n INTRINSIC DEXP\n K0 = A0 * DEXP( C0 * INV_TEMP )\n K2 = A2 * DEXP( C2 * INV_TEMP )\n K3 = A3 * DEXP( C3 * INV_TEMP )\n K3 = K3 * CAIR\n FALLOFF_T08 = K0 + K3/( 1.0D0 + K3/K2 )\n RETURN\n END FUNCTION FALLOFF_T08\n REAL( 8 ) FUNCTION FALLOFF_T09(INV_TEMP,CAIR,A1,C1,A2,C2)\n! rate constant for CMAQ fall off reaction type 9\n IMPLICIT NONE\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: INV_TEMP\n REAL( 8 ), INTENT( IN ) :: CAIR\n REAL( 8 ), INTENT( IN ) :: A1\n REAL( 8 ), INTENT( IN ) :: C1\n REAL( 8 ), INTENT( IN ) :: A2\n REAL( 8 ), INTENT( IN ) :: C2\n ! Local:\n REAL( 8 ) K1\n REAL( 8 ) K2\n INTRINSIC DEXP\n K1 = A1 * DEXP( C1 * INV_TEMP )\n K2 = A2 * DEXP( C2 * INV_TEMP )\n FALLOFF_T09 = K1 + K2 * CAIR\n RETURN\n END FUNCTION FALLOFF_T09\n REAL( 8 ) FUNCTION FALLOFF_T10(INV_TEMP,TEMPOT300,CAIR,A0,B0,C0,A1,B1,C1,CE,CF)\n IMPLICIT NONE\n! rate constant for CMAQ fall off reaction type 10\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: INV_TEMP\n REAL( 8 ), INTENT( IN ) :: TEMPOT300\n REAL( 8 ), INTENT( IN ) :: CAIR\n REAL( 8 ), INTENT( IN ) :: A0\n REAL( 8 ), INTENT( IN ) :: B0\n REAL( 8 ), INTENT( IN ) :: C0\n REAL( 8 ), INTENT( IN ) :: A1\n REAL( 8 ), INTENT( IN ) :: B1\n REAL( 8 ), INTENT( IN ) :: C1\n REAL( 8 ), INTENT( IN ) :: CE\n REAL( 8 ), INTENT( IN ) :: CF\n ! Local:\n REAL( 8 ) K0\n REAL( 8 ) K1\n REAL( 8 ) KEND\n K0 = A0 * CAIR * DEXP(B0*INV_TEMP)* TEMPOT300**C0\n K1 = A1 * DEXP(B1*INV_TEMP) * TEMPOT300**C1\n KEND = ( ( 1.0D0 + ( ( 1.0D0 / CE ) * DLOG10( K0 / K1 ) ) ** 2.0D0 ) )\n KEND = 1.0D0 / KEND\n FALLOFF_T10 = ( K0 / ( 1.0D0 + K0/K1 ) ) * CF ** KEND\n RETURN\n END FUNCTION FALLOFF_T10\n REAL( 8 ) FUNCTION FALLOFF_T11(INV_TEMP,TEMPOT300,CAIR,A1,B1,C1,A2, B2, C2, D1, D2)\n! rate constant for CMAQ fall off reaction type 11\n! actually expanded form of type 9\n IMPLICIT NONE\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: INV_TEMP\n REAL( 8 ), INTENT( IN ) :: TEMPOT300\n REAL( 8 ), INTENT( IN ) :: CAIR\n REAL( 8 ), INTENT( IN ) :: A1\n REAL( 8 ), INTENT( IN ) :: B1\n REAL( 8 ), INTENT( IN ) :: C1\n REAL( 8 ), INTENT( IN ) :: A2\n REAL( 8 ), INTENT( IN ) :: B2\n REAL( 8 ), INTENT( IN ) :: C2\n REAL( 8 ), INTENT( IN ) :: D1\n REAL( 8 ), INTENT( IN ) :: D2\n ! Local:\n REAL( 8 ) K1\n REAL( 8 ) K2\n REAL( 8 ) K3\n INTRINSIC DEXP\n K1 = A1 * DEXP( C1 * INV_TEMP ) * TEMPOT300**B1\n K2 = A2 * DEXP( C2 * INV_TEMP ) * TEMPOT300**B2\n K3 = D1 * DEXP( D2 * INV_TEMP )\n FALLOFF_T11 = K1 + K2 * CAIR + K3\n RETURN\n END FUNCTION FALLOFF_T11\n REAL( 8 ) FUNCTION HALOGEN_FALLOFF(PRESS,A1,B1,A2,B2,A3)\n IMPLICIT NONE\n REAL( 8 ), INTENT( IN ) :: PRESS\n REAL( 8 ), INTENT( IN ) :: A1\n REAL( 8 ), INTENT( IN ) :: B1\n REAL( 8 ), INTENT( IN ) :: A2\n REAL( 8 ), INTENT( IN ) :: B2\n REAL( 8 ), INTENT( IN ) :: A3 ! Maximum loss rate (1/sec)\n INTRINSIC DEXP\n HALOGEN_FALLOFF = A1 * DEXP( B1 * PRESS ) + A2 * DEXP( B2 * PRESS )\n HALOGEN_FALLOFF = DMIN1 (A3, HALOGEN_FALLOFF )\n RETURN\n END FUNCTION HALOGEN_FALLOFF\n\n SUBROUTINE SPECIAL_RATES( NUMCELLS, Y, TEMP, DENS, RKI )\n! Purpose: calculate special rate operators and update\n! appropriate rate constants\n\n USE RXNS_DATA\n IMPLICIT NONE\n\n! Arguments:\n INTEGER, INTENT( IN ) :: NUMCELLS ! Number of cells in block \n REAL( 8 ), INTENT( IN ) :: Y( :, : ) ! species concs\n REAL( 8 ), INTENT( IN ) :: TEMP( : ) ! air temperature, K \n REAL( 8 ), INTENT( IN ) :: DENS( : ) ! air density, Kg/m3\n REAL( 8 ), INTENT( INOUT ) :: RKI( :, : ) ! reaction rate constant, ppm/min \n! Local:\n REAL( 8 ), PARAMETER :: DENSITY_TO_NUMBER = 2.07930D+19 ! Kg/m3 to molecules/cm3\n\n INTEGER :: NCELL\n REAL( 8 ) :: INV_TEMP\n REAL( 8 ) :: CAIR\n REAL( 8 ) :: CFACT ! scales operator if not multiplied by RKI, cm^3/(molecule) to 1/(ppm)\n REAL( 8 ) :: CFACT_SQU ! scales operator if not multiplied by RKI, cm^6/(molec^2) to 1/(ppm^2)\n! special rate operators listed below\n\n\n\n DO NCELL = 1, NUMCELLS\n INV_TEMP = 1.0D0 / TEMP( NCELL )\n CAIR = DENSITY_TO_NUMBER * DENS( NCELL )\n CFACT = 1.0D-06 * CAIR\n CFACT_SQU = 1.0D-12 * CAIR * CAIR\n\n\n! define special rate operators\n\n\n! define rate constants in terms of special rate operators \n\n END DO\n\n RETURN\n END SUBROUTINE SPECIAL_RATES\n \n SUBROUTINE CALC_RCONST( BLKTEMP, BLKPRES, BLKH2O, RJBLK, BLKHET, LSUNLIGHT, SEAWATER, RKI, NUMCELLS )\n\n!**********************************************************************\n\n! Function: To compute thermal and photolytic reaction rate\n! coefficients for each reaction.\n\n! Preconditions: Photolysis rates for individual species must have\n! been calculated and stored in RJPHOT. Expects\n! temperature in deg K, pressure in atm., water\n! vapor in ppmV, and J-values in /min.\n! Key Subroutines/Functions Called: POWER_02, ARRHRENUIS_T0*, FALLOFF_T*, HALOGEN_FALLOFF \n!***********************************************************************\n\n\n\n\n USE RXNS_DATA\n\n IMPLICIT NONE \n\n! Arguements: None \n\n REAL( 8 ), INTENT( IN ) :: BLKTEMP( : ) ! temperature, deg K \n REAL( 8 ), INTENT( IN ) :: BLKPRES( : ) ! pressure, Atm\n REAL( 8 ), INTENT( IN ) :: BLKH2O ( : ) ! water mixing ratio, ppm \n REAL( 8 ), INTENT( IN ) :: RJBLK ( :, : ) ! photolysis rates, 1/min \n REAL( 8 ), INTENT( IN ) :: BLKHET ( :, : ) ! heterogeneous rate constants, ???/min\n INTEGER, INTENT( IN ) :: NUMCELLS ! Number of cells in block \n LOGICAL, INTENT( IN ) :: LSUNLIGHT ! Is there sunlight? \n REAL( 8 ), INTENT( IN ) :: SEAWATER( : ) ! fractional area of OPEN+SURF \n REAL( 8 ), INTENT( OUT ) :: RKI ( :, : ) ! reaction rate constant, ppm/min \n!..Parameters: \n\n REAL( 8 ), PARAMETER :: COEF1 = 7.33981D+15 ! Molec/cc to ppm conv factor \n REAL( 8 ), PARAMETER :: CONSTC = 0.6D+0 ! Constant for reaction type 7\n REAL( 8 ), PARAMETER :: TI300 = 1.0D+0/300.0D+0 ! reciprocal of 300 deg K\n REAL( 8 ), PARAMETER :: SFACT = 60.D+0 ! seconds per minute \n!..External Functions: None\n\n!..Local Variables:\n\n INTEGER :: NRT ! Loop index for reaction types \n INTEGER :: IRXN ! Reaction number\n INTEGER :: JNUM ! J-value species # from PHOT)\n INTEGER :: KNUM ! Reaction # for a relative rate coeff.\n INTEGER :: N ! Loop index for reactions\n INTEGER :: NCELL ! Loop index for # of cells in the block\n REAL( 8 ) :: CAIR ! air number density (wet) [molec/cm^3]\n REAL( 8 ) :: CFACT ! Convertor cm^3/(molec*sec) to 1/(ppm*min)\n REAL( 8 ) :: CFACT_SQU ! Convertor cm^6/(molec^2*sec) to 1/(ppm^2*min)\n REAL( 8 ) :: INV_CFACT ! ppm/min to molec/(cm^3*sec)\n REAL( 8 ) :: TEMPOT300 ! temperature divided by 300 K, dimensionaless \n REAL( 8 ) :: INV_TEMP ! reciprocal of air temperature, K-1\n REAL( 8 ) :: INV_CAIR ! reciprocal of air number density (wet), [cm^3/molec]\n REAL( 8 ) :: TEMP ! air temperature, K\n REAL( 8 ) :: PRESS ! pressure [Atm] \n REAL( 8 ) :: INV_RFACT ! ppm/min to molec/(cm^3*min)\n REAL( 8 ) :: RFACT_SQU ! cm^6/(molec^2*min) to 1/(ppm^2*min)\n REAL( 8 ) :: RFACT ! cm^3/(molec*min) to 1/(ppm*min)\n REAL( 8 ) :: H2O ! concentration, [molec/cm^3] \n\n RKI = 0.0D0 \n\n! All rate constants converted from molec/cm3 to ppm\n! and 1/sec to 1/min\n\n IF( LSUNLIGHT )THEN \n DO NCELL = 1, NUMCELLS \n\n! Reaction Label R001 \n RKI( NCELL, 1) = RJBLK( NCELL, IJ_O3O3P_NASA06 )\n! Reaction Label R002 \n RKI( NCELL, 2) = RJBLK( NCELL, IJ_O3O1D_NASA06 )\n! Reaction Label R003 \n RKI( NCELL, 3) = RJBLK( NCELL, IJ_H2O2_RACM2 )\n! Reaction Label R004 \n RKI( NCELL, 4) = RJBLK( NCELL, IJ_NO2_RACM2 )\n! Reaction Label R005 \n RKI( NCELL, 5) = RJBLK( NCELL, IJ_NO3NO_RACM2 )\n! Reaction Label R006 \n RKI( NCELL, 6) = RJBLK( NCELL, IJ_NO3NO2_RACM2 )\n! Reaction Label R007 \n RKI( NCELL, 7) = RJBLK( NCELL, IJ_HONO_RACM2 )\n! Reaction Label R008 \n RKI( NCELL, 8) = RJBLK( NCELL, IJ_HNO3_RACM2 )\n! Reaction Label R009 \n RKI( NCELL, 9) = RJBLK( NCELL, IJ_HNO4_RACM2 )\n! Reaction Label R010 \n RKI( NCELL, 10) = RJBLK( NCELL, IJ_HCHO_MOL_JPL19 )\n! Reaction Label R011 \n RKI( NCELL, 11) = RJBLK( NCELL, IJ_HCHO_RAD_JPL19 )\n! Reaction Label R012 \n RKI( NCELL, 12) = RJBLK( NCELL, IJ_CH3CHO_RACM2 )\n! Reaction Label R013 \n RKI( NCELL, 13) = RJBLK( NCELL, IJ_ALD_JPL19 )\n! Reaction Label R014 \n RKI( NCELL, 14) = RJBLK( NCELL, IJ_CH3COCH3A_JPL19 )\n! Reaction Label R014a \n RKI( NCELL, 15) = RJBLK( NCELL, IJ_CH3COCH3B_JPL19 )\n! Reaction Label R015 \n RKI( NCELL, 16) = RJBLK( NCELL, IJ_UALD_RACM2 )\n! Reaction Label TRP01 \n RKI( NCELL, 17) = RJBLK( NCELL, IJ_ALD_JPL19 )\n! Reaction Label TRP02 \n RKI( NCELL, 18) = RJBLK( NCELL, IJ_ALD_JPL19 )\n! Reaction Label R016 \n RKI( NCELL, 19) = RJBLK( NCELL, IJ_MEK_JGR19 )\n! Reaction Label R017 \n RKI( NCELL, 20) = RJBLK( NCELL, IJ_KET_JGR19 )\n! Reaction Label R018 \n RKI( NCELL, 21) = RJBLK( NCELL, IJ_HKET_RACM2 )\n! Reaction Label R019 \n RKI( NCELL, 22) = RJBLK( NCELL, IJ_MACR_RACM2 )\n! Reaction Label R020 \n RKI( NCELL, 23) = RJBLK( NCELL, IJ_MVK_RACM2 )\n! Reaction Label R021 \n RKI( NCELL, 24) = RJBLK( NCELL, IJ_GLYH2_RACM2 )\n! Reaction Label R022 \n RKI( NCELL, 25) = RJBLK( NCELL, IJ_GLYF_RACM2 )\n! Reaction Label R023 \n RKI( NCELL, 26) = RJBLK( NCELL, IJ_GLYHX_RACM2 )\n! Reaction Label R024 \n RKI( NCELL, 27) = RJBLK( NCELL, IJ_MGLY_RACM2 )\n! Reaction Label R025 \n RKI( NCELL, 28) = RJBLK( NCELL, IJ_MGLY_RACM2 )\n! Reaction Label R026 \n RKI( NCELL, 29) = RJBLK( NCELL, IJ_MGLY_RACM2 )\n! Reaction Label R027 \n RKI( NCELL, 30) = RJBLK( NCELL, IJ_BALD_RACM2 )\n! Reaction Label R028 \n RKI( NCELL, 31) = RJBLK( NCELL, IJ_OP1_RACM2 )\n! Reaction Label R029 \n RKI( NCELL, 32) = RJBLK( NCELL, IJ_OP1_RACM2 )\n! Reaction Label TRP03 \n RKI( NCELL, 33) = RJBLK( NCELL, IJ_OP1_RACM2 )\n! Reaction Label R029a \n RKI( NCELL, 34) = RJBLK( NCELL, IJ_OP1_RACM2 )\n! Reaction Label R030 \n RKI( NCELL, 35) = RJBLK( NCELL, IJ_PAA_RACM2 )\n! Reaction Label R031 \n RKI( NCELL, 36) = RJBLK( NCELL, IJ_ONIT_RACM2 )\n! Reaction Label R032 \n RKI( NCELL, 37) = RJBLK( NCELL, IJ_PAN1_RACM2 )\n! Reaction Label R033 \n RKI( NCELL, 38) = RJBLK( NCELL, IJ_PAN2_RACM2 )\n! Reaction Label RAM12 \n RKI( NCELL, 99) = RJBLK( NCELL, IJ_HCHO_RAD_RACM2 )\n! Reaction Label T20 \n RKI( NCELL, 394) = RJBLK( NCELL, IJ_ACRO_09 )\n\n IF ( SEAWATER (NCELL) .GT. 0.001D0 ) THEN\n! Reaction Label HAL_Ozone \n RKI( NCELL, 423) = SEAWATER (NCELL) * SFACT * HALOGEN_FALLOFF( BLKPRES( NCELL ), 6.7006D-11, 1.0743D+01, & \n & 3.4153D-08, -6.7130D-01, 2.0000D-06 )\n ELSE\n RKI( NCELL, 423) = 0.0D0 \n END IF\n\n END DO \n END IF \n\n DO NCELL = 1, NUMCELLS \n! Set-up conversion factors \n INV_TEMP = 1.0D+00 / BLKTEMP( NCELL ) \n CAIR = 1.0D+06 * COEF1 * BLKPRES( NCELL ) * INV_TEMP \n CFACT = 6.0D-05 * CAIR\n CFACT_SQU = 6.0D-11 * CAIR * CAIR \n INV_CAIR = 1.0D0 / CAIR \n INV_CFACT = 6.0D+07 * INV_CAIR \n TEMP = BLKTEMP( NCELL ) \n TEMPOT300 = BLKTEMP( NCELL ) * TI300 \n RFACT = 1.0D+06 * INV_CAIR \n RFACT_SQU = 1.0D+12 * INV_CAIR * INV_CAIR \n\n! Reaction Label R034 \n RKI( NCELL, 39) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.7000D-12, -9.4000D+02 )\n! Reaction Label R035 \n RKI( NCELL, 40) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.0000D-14, -4.9000D+02 )\n! Reaction Label R036 \n RKI( NCELL, 41) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.0000D-12, -1.5000D+03 )\n! Reaction Label R037 \n RKI( NCELL, 42) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.2000D-13, -2.4500D+03 )\n! Reaction Label R038 \n RKI( NCELL, 43) = CFACT_SQU * POWER_T02( TEMPOT300, 6.1000D-34, -2.4000D+00 )\n! Reaction Label R039 \n RKI( NCELL, 44) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.0000D-12, -2.0600D+03 )\n! Reaction Label R040 \n RKI( NCELL, 45) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.3000D-11, 5.5000D+01 )\n! Reaction Label R041 \n RKI( NCELL, 46) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.1500D-11, 1.1000D+02 )\n! Reaction Label R042 \n RKI( NCELL, 47) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.6300D-10, 6.0000D+01 )\n! Reaction Label R043 \n RKI( NCELL, 48) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.8000D-12, -1.8000D+03 )\n! Reaction Label R044 \n RKI( NCELL, 49) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.8000D-11, 2.5000D+02 )\n! Reaction Label R045 \n RKI( NCELL, 50) = CFACT * FALLOFF_T09( INV_TEMP, CAIR, & \n & 3.0000D-13, 4.6000D+02, 2.1000D-33, & \n & 9.2000D+02 )\n! Reaction Label R046 \n RKI( NCELL, 51) = CFACT_SQU * FALLOFF_T09( INV_TEMP, CAIR, & \n & 4.2000D-34, 2.6600D+03, 2.9400D-54, & \n & 3.1200D+03 )\n! Reaction Label R047 \n RKI( NCELL, 52) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.8000D-12, 0.0000D+00 )\n! Reaction Label R048 \n RKI( NCELL, 53) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 9.1000D-32, 0.0000D+00, -1.5000D+00, & \n & 3.0000D-11, 0.0000D+00, 0.0000D+00, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label R049 \n RKI( NCELL, 54) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 7.1000D-31, 0.0000D+00, -2.6000D+00, & \n & 3.6000D-11, 0.0000D+00, -1.0000D-01, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label R050 \n RKI( NCELL, 55) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.4400D-12, 2.6000D+02 )\n! Reaction Label R051 \n RKI( NCELL, 56) = CFACT * FALLOFF_T11( INV_TEMP,TEMPOT300,CAIR, & \n & 6.0950D-14, -1.0000D+00, 2.7000D+02, &\n & 6.8570D-34, 1.0000D+00, 2.7000D+02, & \n & -5.9680D-14, 2.7000D+02 )\n! Reaction Label R052 \n RKI( NCELL, 57) = CFACT_SQU * ARRHENUIS_T03( INV_TEMP, 4.2500D-39, 6.6350D+02 )\n! Reaction Label R053 \n RKI( NCELL, 58) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.0000D-12, 2.5000D+02 )\n! Reaction Label R054 \n RKI( NCELL, 59) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.3000D-12, 2.0000D+02 )\n! Reaction Label R055 \n RKI( NCELL, 60) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 3.4000D-31, 0.0000D+00, -1.6000D+00, & \n & 2.3000D-11, 0.0000D+00, -2.0000D-01, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label R056 \n RKI( NCELL, 61) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 1.8000D-30, 0.0000D+00, -3.0000D+00, & \n & 2.8000D-11, 0.0000D+00, 0.0000D+00, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label R057 \n RKI( NCELL, 62) = CFACT * FALLOFF_T08( INV_TEMP, CAIR, & \n & 2.4000D-14, 4.6000D+02, 2.7000D-17, & \n & 2.1990D+03, 6.5000D-34, 1.3350D+03 )\n! Reaction Label R058 \n RKI( NCELL, 63) = 2.0000D-11 * CFACT \n! Reaction Label R059 \n RKI( NCELL, 64) = 3.5000D-12 * CFACT \n! Reaction Label R060 \n RKI( NCELL, 65) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.7000D-11, 1.2500D+02 )\n! Reaction Label R061 \n RKI( NCELL, 66) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.3500D-14, -1.3350D+03 )\n! Reaction Label R062 \n RKI( NCELL, 67) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.5000D-13, -2.4500D+03 )\n! Reaction Label R063 \n RKI( NCELL, 68) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 2.4000D-30, 0.0000D+00, -3.0000D+00, & \n & 1.6000D-12, 0.0000D+00, 1.0000D-01, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label R064 \n RKI( NCELL, 69) = RFACT * RKI( NCELL, 68 ) & \n & * ( 1.7241D+26 * DEXP( -1.0840D+04 * INV_TEMP) ) \n! Reaction Label R065 \n RKI( NCELL, 70) = 1.0000D-22 * CFACT \n! Reaction Label R066 \n RKI( NCELL, 71) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 1.9000D-31, 0.0000D+00, -3.4000D+00, & \n & 4.0000D-12, 0.0000D+00, -3.0000D-01, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label R067 \n RKI( NCELL, 72) = RFACT * RKI( NCELL, 71 ) & \n & * ( 4.7619D+26 * DEXP( -1.0900D+04 * INV_TEMP) ) \n! Reaction Label R068 \n RKI( NCELL, 73) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.5000D-13, 6.1000D+02 )\n! Reaction Label R069 \n RKI( NCELL, 74) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 2.9000D-31, 0.0000D+00, -4.1000D+00, & \n & 1.7000D-12, 0.0000D+00, 2.0000D-01, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label R070 \n RKI( NCELL, 75) = CFACT * FALLOFF_T09( INV_TEMP, CAIR, & \n & 1.4400D-13, 0.0000D+00, 2.7400D-33, & \n & 0.0000D+00 )\n! Reaction Label R071 \n RKI( NCELL, 76) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.4500D-12, -1.7750D+03 )\n! Reaction Label R072 \n RKI( NCELL, 77) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.6600D-12, -1.0200D+03 )\n! Reaction Label R073 \n RKI( NCELL, 78) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.6800D-12, -3.7000D+02 )\n! Reaction Label R074 \n RKI( NCELL, 79) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.0100D-11, -2.4500D+02 )\n! Reaction Label R076 \n RKI( NCELL, 80) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 1.0000D-28, 0.0000D+00, -4.5000D+00, & \n & 8.8000D-12, 0.0000D+00, -8.5000D-01, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label R077 \n RKI( NCELL, 81) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.7200D-12, 5.0000D+02 )\n! Reaction Label R078 \n RKI( NCELL, 82) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.3300D-11, 5.0000D+02 )\n! Reaction Label R080 \n RKI( NCELL, 83) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 5.5000D-30, 0.0000D+00, 0.0000D+00, & \n & 8.3000D-13, 0.0000D+00, 2.0000D+00, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label ROCARO31 \n RKI( NCELL, 84) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.3300D-12, -1.9300D+02 )\n! Reaction Label ROCARO41 \n RKI( NCELL, 85) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.8100D-12, 3.5400D+02 )\n! Reaction Label ROCARO51 \n RKI( NCELL, 86) = 2.3300D-11 * CFACT \n! Reaction Label ROCARO61 \n RKI( NCELL, 87) = 7.1600D-12 * CFACT \n! Reaction Label RAM01 \n RKI( NCELL, 88) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.5800D-14, -2.0000D+03 )\n! Reaction Label RAM02 \n RKI( NCELL, 89) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9500D-12, -4.5000D+02 )\n! Reaction Label RAM03 \n RKI( NCELL, 90) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.6900D-11, 3.9000D+02 )\n! Reaction Label RAM04 \n RKI( NCELL, 91) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.5000D-13, 1.3000D+03 )\n! Reaction Label RAM05 \n RKI( NCELL, 92) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.5000D+02 )\n! Reaction Label RAM06 \n RKI( NCELL, 93) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.6000D-12, 2.0000D+02 )\n! Reaction Label RAM07 \n RKI( NCELL, 94) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.1400D-14, 5.8000D+02 )\n! Reaction Label RAM08 \n RKI( NCELL, 95) = CFACT * ARRHENUIS_T03( INV_TEMP, 9.4200D-16, 5.8000D+02 )\n! Reaction Label RAM9 \n RKI( NCELL, 96) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.4000D-11, 3.9000D+02 )\n! Reaction Label RAM10 \n RKI( NCELL, 97) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.4000D-07, 5.8000D+02 )\n! Reaction Label RAM11 \n RKI( NCELL, 98) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9700D-11, 3.9000D+02 )\n! Reaction Label RAM13 \n RKI( NCELL, 100) = 1.0000D-10 * CFACT \n! Reaction Label RAM14 \n RKI( NCELL, 101) = 5.0000D-11 * CFACT \n! Reaction Label RAM15 \n RKI( NCELL, 102) = 2.0000D-14 * CFACT \n! Reaction Label RAM16 \n RKI( NCELL, 103) = 2.3000D-05 * SFACT \n! Reaction Label R087 \n RKI( NCELL, 104) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.2100D-11, 4.4000D+02 )\n! Reaction Label R088 \n RKI( NCELL, 105) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.2000D-11, 4.0100D+02 )\n! Reaction Label TRP04 \n RKI( NCELL, 106) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.2000D-12, 6.0000D+02 )\n! Reaction Label TRP05 \n RKI( NCELL, 107) = 1.0000D-10 * CFACT \n! Reaction Label R089 \n RKI( NCELL, 108) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.5000D-12, 1.2500D+02 )\n! Reaction Label R090 \n RKI( NCELL, 109) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.7000D-12, 3.4500D+02 )\n! Reaction Label R091 \n RKI( NCELL, 110) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.9000D-12, 4.0500D+02 )\n! Reaction Label R092 \n RKI( NCELL, 111) = CFACT * ARRHENUIS_T04( INV_TEMP, TEMPOT300, & \n & 4.5600D-14, -4.2700D+02, 3.6500D+00 )\n! Reaction Label R093 \n RKI( NCELL, 112) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.5000D-12, -9.0000D+01 )\n! Reaction Label R094 \n RKI( NCELL, 113) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.8000D-12, 1.0000D+01 )\n! Reaction Label R095 \n RKI( NCELL, 114) = 3.0000D-12 * CFACT \n! Reaction Label R096 \n RKI( NCELL, 115) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.0000D-12, 3.8000D+02 )\n! Reaction Label R097 \n RKI( NCELL, 116) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.6000D-12, 6.1000D+02 )\n! Reaction Label R098 \n RKI( NCELL, 117) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.7700D-12, 5.3300D+02 )\n! Reaction Label R099 \n RKI( NCELL, 118) = 1.1000D-11 * CFACT \n! Reaction Label R100 \n RKI( NCELL, 119) = CFACT * ARRHENUIS_T03( INV_TEMP, 9.2600D-13, 8.3000D+02 )\n! Reaction Label R101 \n RKI( NCELL, 120) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.8000D-11, 1.7500D+02 )\n! Reaction Label R102 \n RKI( NCELL, 121) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.8000D-11, 1.7500D+02 )\n! Reaction Label R103 \n RKI( NCELL, 122) = 1.0000D-11 * CFACT \n! Reaction Label R104 \n RKI( NCELL, 123) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.3200D-12, 2.4300D+02 )\n! Reaction Label R105 \n RKI( NCELL, 124) = CFACT * ARRHENUIS_T03( INV_TEMP, 6.7500D-12, 4.0500D+02 )\n! Reaction Label R106 \n RKI( NCELL, 125) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.6500D-11, 0.0000D+00 )\n! Reaction Label R108 \n RKI( NCELL, 126) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.0500D-10, 0.0000D+00 )\n! Reaction Label R109 \n RKI( NCELL, 127) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.8500D-12, -3.4500D+02 )\n! Reaction Label R110 \n RKI( NCELL, 128) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.0000D-12, 2.0000D+01 )\n! Reaction Label R111 \n RKI( NCELL, 129) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.6000D-12, 2.0000D+02 )\n! Reaction Label R112 \n RKI( NCELL, 130) = 1.4700D-11 * CFACT \n! Reaction Label R113 \n RKI( NCELL, 131) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9000D-12, 1.9000D+02 )\n! Reaction Label R114 \n RKI( NCELL, 132) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.4000D-12, 1.9000D+02 )\n! Reaction Label TRP06 \n RKI( NCELL, 133) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.4000D-12, 1.9000D+02 )\n! Reaction Label R114a \n RKI( NCELL, 134) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.4000D-12, 1.9000D+02 )\n! Reaction Label R116 \n RKI( NCELL, 135) = 3.0000D-11 * CFACT \n! Reaction Label R117 \n RKI( NCELL, 136) = 4.5000D-13 * CFACT \n! Reaction Label R118 \n RKI( NCELL, 137) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.0000D-14, 8.5000D+02 )\n! Reaction Label R119 \n RKI( NCELL, 138) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9300D-12, 1.9000D+02 )\n! Reaction Label R120 \n RKI( NCELL, 139) = 4.0000D-14 * CFACT \n! Reaction Label R121 \n RKI( NCELL, 140) = 4.0000D-14 * CFACT \n! Reaction Label R122 \n RKI( NCELL, 141) = 3.2000D-11 * CFACT \n! Reaction Label R123 \n RKI( NCELL, 142) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.3100D-12, -2.6000D+02 )\n! Reaction Label TRP07 \n RKI( NCELL, 143) = 4.8000D-12 * CFACT \n! Reaction Label R126 \n RKI( NCELL, 144) = CFACT * ARRHENUIS_T03( INV_TEMP, 9.1400D-15, -2.5800D+03 )\n! Reaction Label R127 \n RKI( NCELL, 145) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.3300D-15, -1.8000D+03 )\n! Reaction Label R128 \n RKI( NCELL, 146) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.4000D-15, -8.4500D+02 )\n! Reaction Label R131 \n RKI( NCELL, 147) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.0000D-16, -5.3000D+02 )\n! Reaction Label R132 \n RKI( NCELL, 148) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9500D-15, -7.8300D+02 )\n! Reaction Label TRP08 \n RKI( NCELL, 149) = 8.3000D-18 * CFACT \n! Reaction Label TRP09 \n RKI( NCELL, 150) = 1.6700D-16 * CFACT \n! Reaction Label R133 \n RKI( NCELL, 151) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.3600D-15, -2.1120D+03 )\n! Reaction Label R134 \n RKI( NCELL, 152) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.5000D-16, -1.5200D+03 )\n! Reaction Label R135 \n RKI( NCELL, 153) = 1.6600D-18 * CFACT \n! Reaction Label R136 \n RKI( NCELL, 154) = 2.0000D-16 * CFACT \n! Reaction Label R137 \n RKI( NCELL, 155) = 2.0000D-16 * CFACT \n! Reaction Label R138 \n RKI( NCELL, 156) = 9.0000D-17 * CFACT \n! Reaction Label R140 \n RKI( NCELL, 157) = 2.8600D-13 * CFACT \n! Reaction Label R141 \n RKI( NCELL, 158) = CFACT * ARRHENUIS_T04( INV_TEMP, TEMPOT300, & \n & 4.3920D-13, -2.2820D+03, 2.0000D+00 )\n! Reaction Label R142 \n RKI( NCELL, 159) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.7900D-13, -4.5000D+02 )\n! Reaction Label R143 \n RKI( NCELL, 160) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.6400D-13, 4.5000D+02 )\n! Reaction Label R146 \n RKI( NCELL, 161) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.1900D-12, 4.9000D+02 )\n! Reaction Label R147 \n RKI( NCELL, 162) = 1.2200D-11 * CFACT \n! Reaction Label TRP10 \n RKI( NCELL, 163) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.1500D-14, -4.4800D+02 )\n! Reaction Label R148 \n RKI( NCELL, 164) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.0000D-12, -2.4400D+03 )\n! Reaction Label R149 \n RKI( NCELL, 165) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.4000D-12, -1.9000D+03 )\n! Reaction Label R150 \n RKI( NCELL, 166) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.7600D-12, -1.9000D+03 )\n! Reaction Label R151 \n RKI( NCELL, 167) = 3.4000D-15 * CFACT \n! Reaction Label R152 \n RKI( NCELL, 168) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.0200D-13, -1.0760D+03 )\n! Reaction Label R153 \n RKI( NCELL, 169) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9000D-12, -1.9000D+03 )\n! Reaction Label R154 \n RKI( NCELL, 170) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.7600D-12, -1.9000D+03 )\n! Reaction Label R155 \n RKI( NCELL, 171) = 3.7800D-12 * CFACT \n! Reaction Label R156 \n RKI( NCELL, 172) = 1.0600D-12 * CFACT \n! Reaction Label R158 \n RKI( NCELL, 173) = 2.0100D-10 * CFACT \n! Reaction Label R159 \n RKI( NCELL, 174) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.2000D-14, -5.0000D+02 )\n! Reaction Label TRP11 \n RKI( NCELL, 175) = 1.0000D+00 * SFACT \n! Reaction Label TRP12 \n RKI( NCELL, 176) = 1.0000D+00 * SFACT \n! Reaction Label R166 \n RKI( NCELL, 177) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 9.7000D-29, 0.0000D+00, -5.6000D+00, & \n & 9.3000D-12, 0.0000D+00, -1.5000D+00, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label R167 \n RKI( NCELL, 178) = RFACT * RKI( NCELL, 177 ) & \n & * ( 1.1111D+28 * DEXP( -1.4000D+04 * INV_TEMP) ) \n! Reaction Label R168 \n RKI( NCELL, 179) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 9.7000D-29, 0.0000D+00, -5.6000D+00, & \n & 9.3000D-12, 0.0000D+00, -1.5000D+00, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label R169 \n RKI( NCELL, 180) = RFACT * RKI( NCELL, 179 ) & \n & * ( 1.1111D+28 * DEXP( -1.4000D+04 * INV_TEMP) ) \n! Reaction Label R170 \n RKI( NCELL, 181) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.8000D-12, 1.8100D+02 )\n! Reaction Label R171 \n RKI( NCELL, 182) = SFACT * ARRHENUIS_T03( INV_TEMP, 1.6000D+16, -1.3486D+04 )\n! Reaction Label R172 \n RKI( NCELL, 183) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.8000D-12, 3.0000D+02 )\n! Reaction Label R173 \n RKI( NCELL, 184) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.6000D-12, 3.6500D+02 )\n! Reaction Label R174 \n RKI( NCELL, 185) = 4.0000D-12 * CFACT \n! Reaction Label R175 \n RKI( NCELL, 186) = 4.0000D-12 * CFACT \n! Reaction Label R177 \n RKI( NCELL, 187) = 9.0000D-12 * CFACT \n! Reaction Label R178 \n RKI( NCELL, 188) = 4.0000D-12 * CFACT \n! Reaction Label R179 \n RKI( NCELL, 189) = 4.0000D-12 * CFACT \n! Reaction Label ROCARO33 \n RKI( NCELL, 190) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label ROCARO43 \n RKI( NCELL, 191) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label ROCARO53 \n RKI( NCELL, 192) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label ROCARO63 \n RKI( NCELL, 193) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label R189 \n RKI( NCELL, 194) = 4.0000D-12 * CFACT \n! Reaction Label TRP13 \n RKI( NCELL, 195) = 4.0000D-12 * CFACT \n! Reaction Label TRP14 \n RKI( NCELL, 196) = 4.0000D-12 * CFACT \n! Reaction Label TRP15 \n RKI( NCELL, 197) = 4.0000D-12 * CFACT \n! Reaction Label R190 \n RKI( NCELL, 198) = 4.0000D-12 * CFACT \n! Reaction Label TRP16 \n RKI( NCELL, 199) = 4.0000D-12 * CFACT \n! Reaction Label TRP17 \n RKI( NCELL, 200) = 4.0000D-12 * CFACT \n! Reaction Label TRP18 \n RKI( NCELL, 201) = 4.0000D-12 * CFACT \n! Reaction Label TRP19 \n RKI( NCELL, 202) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label TRP20 \n RKI( NCELL, 203) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label R191 \n RKI( NCELL, 204) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.1000D-12, 2.7000D+02 )\n! Reaction Label R192 \n RKI( NCELL, 205) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.1000D-12, 2.7000D+02 )\n! Reaction Label R193 \n RKI( NCELL, 206) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9000D-12, 3.0000D+02 )\n! Reaction Label R194 \n RKI( NCELL, 207) = 4.0000D-12 * CFACT \n! Reaction Label R195 \n RKI( NCELL, 208) = 4.0000D-12 * CFACT \n! Reaction Label R196 \n RKI( NCELL, 209) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.5400D-12, 3.6000D+02 )\n! Reaction Label R197 \n RKI( NCELL, 210) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.5400D-12, 3.6000D+02 )\n! Reaction Label R198 \n RKI( NCELL, 211) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.5400D-12, 3.6000D+02 )\n! Reaction Label R199 \n RKI( NCELL, 212) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.5400D-12, 3.6000D+02 )\n! Reaction Label R200 \n RKI( NCELL, 213) = 4.0000D-12 * CFACT \n! Reaction Label R201 \n RKI( NCELL, 214) = 4.0000D-12 * CFACT \n! Reaction Label R202 \n RKI( NCELL, 215) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label R203 \n RKI( NCELL, 216) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label R204 \n RKI( NCELL, 217) = 4.0000D-12 * CFACT \n! Reaction Label R205 \n RKI( NCELL, 218) = 4.0000D-12 * CFACT \n! Reaction Label R206 \n RKI( NCELL, 219) = 4.0000D-12 * CFACT \n! Reaction Label R207 \n RKI( NCELL, 220) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label R208 \n RKI( NCELL, 221) = 4.0000D-12 * CFACT \n! Reaction Label R209 \n RKI( NCELL, 222) = 2.0000D-11 * CFACT \n! Reaction Label R210 \n RKI( NCELL, 223) = 2.0000D-11 * CFACT \n! Reaction Label R211 \n RKI( NCELL, 224) = 2.0800D-12 * CFACT \n! Reaction Label R212 \n RKI( NCELL, 225) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.1000D-13, 7.5000D+02 )\n! Reaction Label R213 \n RKI( NCELL, 226) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.5000D-13, 7.0000D+02 )\n! Reaction Label R214 \n RKI( NCELL, 227) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.6600D-13, 1.3000D+03 )\n! Reaction Label R215 \n RKI( NCELL, 228) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.6600D-13, 1.3000D+03 )\n! Reaction Label R217 \n RKI( NCELL, 229) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.9000D-13, 1.3000D+03 )\n! Reaction Label R218 \n RKI( NCELL, 230) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.6600D-13, 1.3000D+03 )\n! Reaction Label R219 \n RKI( NCELL, 231) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.6600D-13, 1.3000D+03 )\n! Reaction Label ROCARO32 \n RKI( NCELL, 232) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9100D-13, 1.3000D+03 )\n! Reaction Label ROCARO42 \n RKI( NCELL, 233) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9100D-13, 1.3000D+03 )\n! Reaction Label ROCARO52 \n RKI( NCELL, 234) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9100D-13, 1.3000D+03 )\n! Reaction Label ROCARO62 \n RKI( NCELL, 235) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9100D-13, 1.3000D+03 )\n! Reaction Label R229 \n RKI( NCELL, 236) = 1.5000D-11 * CFACT \n! Reaction Label TRP21 \n RKI( NCELL, 237) = 1.5000D-11 * CFACT \n! Reaction Label TRP22 \n RKI( NCELL, 238) = 1.5000D-11 * CFACT \n! Reaction Label TRP23 \n RKI( NCELL, 239) = 1.5000D-11 * CFACT \n! Reaction Label R230 \n RKI( NCELL, 240) = 1.5000D-11 * CFACT \n! Reaction Label TRP24 \n RKI( NCELL, 241) = 1.5000D-11 * CFACT \n! Reaction Label TRP25 \n RKI( NCELL, 242) = 1.5000D-11 * CFACT \n! Reaction Label TRP26 \n RKI( NCELL, 243) = 1.5000D-11 * CFACT \n! Reaction Label TRP27 \n RKI( NCELL, 244) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9100D-13, 1.3000D+03 )\n! Reaction Label TRP28 \n RKI( NCELL, 245) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9100D-13, 1.3000D+03 )\n! Reaction Label R231 \n RKI( NCELL, 246) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.3000D-13, 1.0400D+03 )\n! Reaction Label R232 \n RKI( NCELL, 247) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.3000D-13, 1.0400D+03 )\n! Reaction Label R233 \n RKI( NCELL, 248) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.1500D-13, 1.3000D+03 )\n! Reaction Label R234 \n RKI( NCELL, 249) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.1500D-13, 1.3000D+03 )\n! Reaction Label R235 \n RKI( NCELL, 250) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.1500D-13, 1.3000D+03 )\n! Reaction Label R236 \n RKI( NCELL, 251) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.8200D-13, 1.3000D+03 )\n! Reaction Label R237 \n RKI( NCELL, 252) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.8200D-13, 1.3000D+03 )\n! Reaction Label R238 \n RKI( NCELL, 253) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9100D-13, 1.3000D+03 )\n! Reaction Label R239 \n RKI( NCELL, 254) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9100D-13, 1.3000D+03 )\n! Reaction Label R240 \n RKI( NCELL, 255) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.7500D-13, 9.8000D+02 )\n! Reaction Label R241 \n RKI( NCELL, 256) = 1.0000D-11 * CFACT \n! Reaction Label R242 \n RKI( NCELL, 257) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.7500D-13, 9.8000D+02 )\n! Reaction Label R243 \n RKI( NCELL, 258) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.1500D-13, 1.3000D+03 )\n! Reaction Label R244 \n RKI( NCELL, 259) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.6600D-13, 1.3000D+03 )\n! Reaction Label R245 \n RKI( NCELL, 260) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.6600D-13, 1.3000D+03 )\n! Reaction Label R246 \n RKI( NCELL, 261) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.7500D-13, 9.8000D+02 )\n! Reaction Label R247 \n RKI( NCELL, 262) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.6600D-13, 1.3000D+03 )\n! Reaction Label R248 \n RKI( NCELL, 263) = CFACT * ARRHENUIS_T03( INV_TEMP, 9.5000D-14, 3.9000D+02 )\n! Reaction Label R249 \n RKI( NCELL, 264) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.1800D-13, 1.5800D+02 )\n! Reaction Label R250 \n RKI( NCELL, 265) = CFACT * ARRHENUIS_T03( INV_TEMP, 9.4600D-14, 4.3100D+02 )\n! Reaction Label R251 \n RKI( NCELL, 266) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.0000D-13, 4.6700D+02 )\n! Reaction Label R253 \n RKI( NCELL, 267) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.7100D-13, 7.0800D+02 )\n! Reaction Label R254 \n RKI( NCELL, 268) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.4600D-13, 7.0800D+02 )\n! Reaction Label R255 \n RKI( NCELL, 269) = CFACT * ARRHENUIS_T03( INV_TEMP, 9.1800D-14, 7.0800D+02 )\n! Reaction Label ROCARO35 \n RKI( NCELL, 270) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.5600D-14, 7.0800D+02 )\n! Reaction Label ROCARO45 \n RKI( NCELL, 271) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.5600D-14, 7.0800D+02 )\n! Reaction Label ROCARO55 \n RKI( NCELL, 272) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.5600D-14, 7.0800D+02 )\n! Reaction Label ROCARO65 \n RKI( NCELL, 273) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.5600D-14, 7.0800D+02 )\n! Reaction Label R264 \n RKI( NCELL, 274) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.4000D-14, 2.2100D+02 )\n! Reaction Label R265 \n RKI( NCELL, 275) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.5600D-14, 7.0800D+02 )\n! Reaction Label TRP29 \n RKI( NCELL, 276) = 1.0000D-10 * CFACT \n! Reaction Label TRP30 \n RKI( NCELL, 277) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.5600D-14, 7.0800D+02 )\n! Reaction Label TRP31 \n RKI( NCELL, 278) = 1.0000D-10 * CFACT \n! Reaction Label R266 \n RKI( NCELL, 279) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.5600D-14, 7.0800D+02 )\n! Reaction Label TRP32 \n RKI( NCELL, 280) = 1.0000D-10 * CFACT \n! Reaction Label TRP33 \n RKI( NCELL, 281) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.5600D-14, 7.0800D+02 )\n! Reaction Label TRP34 \n RKI( NCELL, 282) = 1.0000D-10 * CFACT \n! Reaction Label R267 \n RKI( NCELL, 283) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.0000D-11, 5.0000D+02 )\n! Reaction Label R268 \n RKI( NCELL, 284) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.0000D-11, 5.0000D+02 )\n! Reaction Label R269 \n RKI( NCELL, 285) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.5000D-13, 5.0000D+02 )\n! Reaction Label R270 \n RKI( NCELL, 286) = CFACT * ARRHENUIS_T03( INV_TEMP, 6.9100D-13, 5.0800D+02 )\n! Reaction Label R271 \n RKI( NCELL, 287) = CFACT * ARRHENUIS_T03( INV_TEMP, 6.9100D-13, 5.0800D+02 )\n! Reaction Label R272 \n RKI( NCELL, 288) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.4000D-14, 2.2100D+02 )\n! Reaction Label R273 \n RKI( NCELL, 289) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.4000D-14, 2.2100D+02 )\n! Reaction Label R274 \n RKI( NCELL, 290) = 8.3700D-14 * CFACT \n! Reaction Label R275 \n RKI( NCELL, 291) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.4000D-14, 2.2100D+02 )\n! Reaction Label R276 \n RKI( NCELL, 292) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.5600D-14, 7.0800D+02 )\n! Reaction Label R277 \n RKI( NCELL, 293) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.5600D-14, 7.0800D+02 )\n! Reaction Label R278 \n RKI( NCELL, 294) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.5600D-14, 7.0800D+02 )\n! Reaction Label R279 \n RKI( NCELL, 295) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.5600D-14, 7.0800D+02 )\n! Reaction Label R280 \n RKI( NCELL, 296) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.5000D-13, 5.0000D+02 )\n! Reaction Label R281 \n RKI( NCELL, 297) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.6000D-13, 7.0800D+02 )\n! Reaction Label R282 \n RKI( NCELL, 298) = CFACT * ARRHENUIS_T03( INV_TEMP, 9.6800D-14, 7.0800D+02 )\n! Reaction Label R283 \n RKI( NCELL, 299) = 3.5600D-14 * CFACT \n! Reaction Label R284 \n RKI( NCELL, 300) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.9900D-15, 1.5100D+03 )\n! Reaction Label R285 \n RKI( NCELL, 301) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.0300D-12, 2.1100D+02 )\n! Reaction Label R286 \n RKI( NCELL, 302) = CFACT * ARRHENUIS_T03( INV_TEMP, 6.9000D-13, 4.6000D+02 )\n! Reaction Label R287 \n RKI( NCELL, 303) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.5900D-13, 5.2200D+02 )\n! Reaction Label R289 \n RKI( NCELL, 304) = CFACT * ARRHENUIS_T03( INV_TEMP, 9.4800D-13, 7.6500D+02 )\n! Reaction Label R290 \n RKI( NCELL, 305) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.1100D-13, 7.6500D+02 )\n! Reaction Label R291 \n RKI( NCELL, 306) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.0900D-13, 7.6500D+02 )\n! Reaction Label ROCARO36 \n RKI( NCELL, 307) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4000D-13, 7.6500D+02 )\n! Reaction Label ROCARO46 \n RKI( NCELL, 308) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4000D-13, 7.6500D+02 )\n! Reaction Label ROCARO56 \n RKI( NCELL, 309) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4000D-13, 7.6500D+02 )\n! Reaction Label ROCARO66 \n RKI( NCELL, 310) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4000D-13, 7.6500D+02 )\n! Reaction Label R300 \n RKI( NCELL, 311) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.4000D-14, 2.2100D+02 )\n! Reaction Label R301 \n RKI( NCELL, 312) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4000D-13, 7.6500D+02 )\n! Reaction Label TRP35 \n RKI( NCELL, 313) = 1.0000D-10 * CFACT \n! Reaction Label TRP36 \n RKI( NCELL, 314) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4000D-13, 7.6500D+02 )\n! Reaction Label TRP37 \n RKI( NCELL, 315) = 1.0000D-10 * CFACT \n! Reaction Label R302 \n RKI( NCELL, 316) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4000D-13, 7.6500D+02 )\n! Reaction Label TRP38 \n RKI( NCELL, 317) = 1.0000D-10 * CFACT \n! Reaction Label TRP39 \n RKI( NCELL, 318) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4000D-13, 7.6500D+02 )\n! Reaction Label TRP40 \n RKI( NCELL, 319) = 1.0000D-10 * CFACT \n! Reaction Label R303 \n RKI( NCELL, 320) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.5000D-12, 5.0000D+02 )\n! Reaction Label R304 \n RKI( NCELL, 321) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.5000D-12, 5.0000D+02 )\n! Reaction Label R305 \n RKI( NCELL, 322) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.5100D-13, 5.6500D+02 )\n! Reaction Label R306 \n RKI( NCELL, 323) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.5100D-13, 5.6500D+02 )\n! Reaction Label R307 \n RKI( NCELL, 324) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.5100D-13, 5.6500D+02 )\n! Reaction Label R308 \n RKI( NCELL, 325) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.4000D-14, 2.2100D+02 )\n! Reaction Label R309 \n RKI( NCELL, 326) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.4000D-14, 2.2100D+02 )\n! Reaction Label R310 \n RKI( NCELL, 327) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.6800D-12, 5.0000D+02 )\n! Reaction Label R311 \n RKI( NCELL, 328) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.6800D-12, 5.0000D+02 )\n! Reaction Label R312 \n RKI( NCELL, 329) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4000D-13, 7.6500D+02 )\n! Reaction Label R313 \n RKI( NCELL, 330) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4000D-13, 7.6500D+02 )\n! Reaction Label R314 \n RKI( NCELL, 331) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4000D-13, 7.0800D+02 )\n! Reaction Label R315 \n RKI( NCELL, 332) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4000D-13, 7.0800D+02 )\n! Reaction Label R316 \n RKI( NCELL, 333) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.5100D-13, 5.6500D+02 )\n! Reaction Label R317 \n RKI( NCELL, 334) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.8500D-13, 7.6500D+02 )\n! Reaction Label R318 \n RKI( NCELL, 335) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.3700D-13, 7.6500D+02 )\n! Reaction Label R319 \n RKI( NCELL, 336) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4000D-13, 7.0800D+02 )\n! Reaction Label R320 \n RKI( NCELL, 337) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.4000D-14, 1.5600D+03 )\n! Reaction Label R321 \n RKI( NCELL, 338) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.5000D-12, 5.0000D+02 )\n! Reaction Label R322 \n RKI( NCELL, 339) = 1.2000D-12 * CFACT \n! Reaction Label R323 \n RKI( NCELL, 340) = 1.2000D-12 * CFACT \n! Reaction Label R324 \n RKI( NCELL, 341) = 1.2000D-12 * CFACT \n! Reaction Label R325 \n RKI( NCELL, 342) = 1.2000D-12 * CFACT \n! Reaction Label R327 \n RKI( NCELL, 343) = 1.2000D-12 * CFACT \n! Reaction Label R328 \n RKI( NCELL, 344) = 1.2000D-12 * CFACT \n! Reaction Label R329 \n RKI( NCELL, 345) = 1.2000D-12 * CFACT \n! Reaction Label ROCARO34 \n RKI( NCELL, 346) = 2.3000D-12 * CFACT \n! Reaction Label ROCARO44 \n RKI( NCELL, 347) = 2.3000D-12 * CFACT \n! Reaction Label ROCARO54 \n RKI( NCELL, 348) = 2.3000D-12 * CFACT \n! Reaction Label ROCARO64 \n RKI( NCELL, 349) = 2.3000D-12 * CFACT \n! Reaction Label R338 \n RKI( NCELL, 350) = 1.2000D-12 * CFACT \n! Reaction Label R339 \n RKI( NCELL, 351) = 1.2000D-12 * CFACT \n! Reaction Label R340 \n RKI( NCELL, 352) = 1.2000D-12 * CFACT \n! Reaction Label R341 \n RKI( NCELL, 353) = 4.0000D-12 * CFACT \n! Reaction Label R342 \n RKI( NCELL, 354) = 4.0000D-12 * CFACT \n! Reaction Label R343 \n RKI( NCELL, 355) = 1.2000D-12 * CFACT \n! Reaction Label R344 \n RKI( NCELL, 356) = 1.2000D-12 * CFACT \n! Reaction Label R345 \n RKI( NCELL, 357) = 1.2000D-12 * CFACT \n! Reaction Label R346 \n RKI( NCELL, 358) = 1.2000D-12 * CFACT \n! Reaction Label R347 \n RKI( NCELL, 359) = 1.2000D-12 * CFACT \n! Reaction Label R348 \n RKI( NCELL, 360) = 2.5000D-12 * CFACT \n! Reaction Label R349 \n RKI( NCELL, 361) = 2.5000D-12 * CFACT \n! Reaction Label R350 \n RKI( NCELL, 362) = 2.5000D-12 * CFACT \n! Reaction Label R351 \n RKI( NCELL, 363) = 2.5000D-12 * CFACT \n! Reaction Label R352 \n RKI( NCELL, 364) = 1.2000D-12 * CFACT \n! Reaction Label R353 \n RKI( NCELL, 365) = 1.2000D-12 * CFACT \n! Reaction Label R354 \n RKI( NCELL, 366) = 1.2000D-12 * CFACT \n! Reaction Label R355 \n RKI( NCELL, 367) = 1.2000D-12 * CFACT \n! Reaction Label R356 \n RKI( NCELL, 368) = 1.2000D-12 * CFACT \n! Reaction Label R357 \n RKI( NCELL, 369) = 1.2000D-12 * CFACT \n! Reaction Label R358 \n RKI( NCELL, 370) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.0000D-14, 1.0000D+03 )\n! Reaction Label R359 \n RKI( NCELL, 371) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.2500D-14, 1.0000D+03 )\n! Reaction Label R360 \n RKI( NCELL, 372) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9600D-14, 1.0000D+03 )\n! Reaction Label R361 \n RKI( NCELL, 373) = 1.2000D-12 * CFACT \n! Reaction Label R362 \n RKI( NCELL, 374) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.5000D-12, 5.0000D+02 )\n! Reaction Label R363 \n RKI( NCELL, 375) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.1300D-17, 2.9500D+03 )\n! Reaction Label TRP41 \n RKI( NCELL, 376) = 1.0000D-10 * CFACT \n! Reaction Label TRP42 \n RKI( NCELL, 377) = 1.0000D-10 * CFACT \n! Reaction Label TRP43 \n RKI( NCELL, 378) = 1.0000D-10 * CFACT \n! Reaction Label TRP44 \n RKI( NCELL, 379) = 1.0000D-10 * CFACT \n! Reaction Label TRP45 \n RKI( NCELL, 380) = 1.0000D-10 * CFACT \n! Reaction Label TRP46 \n RKI( NCELL, 381) = 1.0000D-10 * CFACT \n! Reaction Label TRP47 \n RKI( NCELL, 382) = 1.0000D-10 * CFACT \n! Reaction Label TRP48 \n RKI( NCELL, 383) = 1.0000D-10 * CFACT \n! Reaction Label TRP49 \n RKI( NCELL, 384) = 1.0000D-10 * CFACT \n! Reaction Label TRP50 \n RKI( NCELL, 385) = 1.0000D-10 * CFACT \n! Reaction Label TRP51 \n RKI( NCELL, 386) = 1.0000D-10 * CFACT \n! Reaction Label TRP52 \n RKI( NCELL, 387) = 1.0000D-10 * CFACT \n! Reaction Label RAM17 \n RKI( NCELL, 388) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.7800D-11, -4.0000D+02 )\n! Reaction Label R001c \n RKI( NCELL, 389) = 6.8900D-12 * CFACT \n! Reaction Label R002c \n RKI( NCELL, 390) = 6.5500D-14 * CFACT \n! Reaction Label T17 \n RKI( NCELL, 391) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.0000D-12, 3.8000D+02 )\n! Reaction Label T18 \n RKI( NCELL, 392) = 2.9000D-19 * CFACT \n! Reaction Label T19 \n RKI( NCELL, 393) = 3.4000D-15 * CFACT \n! Reaction Label T10 \n RKI( NCELL, 395) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.4800D-11, 4.4800D+02 )\n! Reaction Label T10a \n RKI( NCELL, 396) = 9.0500D-12 * CFACT \n! Reaction Label T10b \n RKI( NCELL, 397) = 2.3000D-12 * CFACT \n! Reaction Label T10c \n RKI( NCELL, 398) = 1.6100D-11 * CFACT \n! Reaction Label T10d \n RKI( NCELL, 399) = 2.3900D-12 * CFACT \n! Reaction Label T10e \n RKI( NCELL, 400) = 1.3700D-11 * CFACT \n! Reaction Label T11 \n RKI( NCELL, 401) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.3400D-14, -2.2830D+03 )\n! Reaction Label T12 \n RKI( NCELL, 402) = 1.0000D-13 * CFACT \n! Reaction Label R003c \n RKI( NCELL, 403) = 5.0100D-11 * CFACT \n! Reaction Label R004c \n RKI( NCELL, 404) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label R005c \n RKI( NCELL, 405) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.7500D-13, 9.8000D+02 )\n! Reaction Label R006c \n RKI( NCELL, 406) = 4.4000D-11 * CFACT \n! Reaction Label R007c \n RKI( NCELL, 407) = 3.4300D-17 * CFACT \n! Reaction Label R008c \n RKI( NCELL, 408) = 8.9900D-12 * CFACT \n! Reaction Label R010c \n RKI( NCELL, 409) = 1.2000D-11 * CFACT \n! Reaction Label R011c \n RKI( NCELL, 410) = 1.9000D-11 * CFACT \n! Reaction Label R012c \n RKI( NCELL, 411) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.8400D-13, 1.3000D+03 )\n! Reaction Label R013c \n RKI( NCELL, 412) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label R014c \n RKI( NCELL, 413) = 2.3000D-12 * CFACT \n! Reaction Label R015c \n RKI( NCELL, 414) = 1.2000D-14 * CFACT \n! Reaction Label R016c \n RKI( NCELL, 415) = 1.9700D-10 * CFACT \n! Reaction Label R017c \n RKI( NCELL, 416) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.8400D-13, 1.3000D+03 )\n! Reaction Label R019c \n RKI( NCELL, 417) = 2.3000D-12 * CFACT \n! Reaction Label R020c \n RKI( NCELL, 418) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label HET_GLY \n RKI( NCELL, 419) = BLKHET( NCELL, IK_HETERO_GLY )\n! Reaction Label HET_MGLY \n RKI( NCELL, 420) = BLKHET( NCELL, IK_HETERO_MGLY )\n! Reaction Label HET_N2O5 \n RKI( NCELL, 421) = BLKHET( NCELL, IK_HETERO_N2O5IJ )\n! Reaction Label HET_N02 \n RKI( NCELL, 422) = BLKHET( NCELL, IK_HETERO_NO2 )\n! Reaction Label HET_IEPOX \n RKI( NCELL, 424) = BLKHET( NCELL, IK_HETERO_IEPOX )\n! Reaction Label HET_ISO3TET \n RKI( NCELL, 425) = BLKHET( NCELL, IK_HETERO_ISO3NOSJ )\n! Reaction Label HET_IEPOXOS \n RKI( NCELL, 426) = BLKHET( NCELL, IK_HETERO_ISO3OSJ )\n! Reaction Label ROCALK1c \n RKI( NCELL, 427) = 1.5300D-11 * CFACT \n! Reaction Label ROCALK2c \n RKI( NCELL, 428) = 1.6800D-11 * CFACT \n! Reaction Label ROCALK3c \n RKI( NCELL, 429) = 2.2400D-11 * CFACT \n! Reaction Label ROCALK4c \n RKI( NCELL, 430) = 2.6700D-11 * CFACT \n! Reaction Label ROCALK5c \n RKI( NCELL, 431) = 3.0900D-11 * CFACT \n! Reaction Label ROCALK6c \n RKI( NCELL, 432) = 3.3800D-11 * CFACT \n! Reaction Label HC1001 \n RKI( NCELL, 433) = 1.1000D-11 * CFACT \n! Reaction Label ROCALK7c \n RKI( NCELL, 434) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label ROCALK8c \n RKI( NCELL, 435) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label ROCALK9c \n RKI( NCELL, 436) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label ROCALK10c \n RKI( NCELL, 437) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label ROCALK11c \n RKI( NCELL, 438) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label ROCALK12c \n RKI( NCELL, 439) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label HC1002 \n RKI( NCELL, 440) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label ROCALK13c \n RKI( NCELL, 441) = 2.3000D-12 * CFACT \n! Reaction Label ROCALK14c \n RKI( NCELL, 442) = 2.3000D-12 * CFACT \n! Reaction Label ROCALK15c \n RKI( NCELL, 443) = 2.3000D-12 * CFACT \n! Reaction Label ROCALK16c \n RKI( NCELL, 444) = 2.3000D-12 * CFACT \n! Reaction Label ROCALK17c \n RKI( NCELL, 445) = 2.3000D-12 * CFACT \n! Reaction Label ROCALK18c \n RKI( NCELL, 446) = 2.3000D-12 * CFACT \n! Reaction Label HC1003 \n RKI( NCELL, 447) = 2.3000D-12 * CFACT \n! Reaction Label ROCALK19c \n RKI( NCELL, 448) = 2.1700D-11 * CFACT \n! Reaction Label ROCALK20c \n RKI( NCELL, 449) = 2.2000D-11 * CFACT \n! Reaction Label ROCALK21c \n RKI( NCELL, 450) = 2.2500D-11 * CFACT \n! Reaction Label ROCALK22c \n RKI( NCELL, 451) = 2.2600D-11 * CFACT \n! Reaction Label ROCALK23c \n RKI( NCELL, 452) = 2.2700D-11 * CFACT \n! Reaction Label ROCALK24c \n RKI( NCELL, 453) = 2.2700D-11 * CFACT \n! Reaction Label HC1004 \n RKI( NCELL, 454) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.6600D-13, 1.3000D+03 )\n! Reaction Label ROCALK25c \n RKI( NCELL, 455) = 1.8800D-01 * SFACT \n! Reaction Label ROCALK26c \n RKI( NCELL, 456) = 1.8800D-01 * SFACT \n! Reaction Label ROCALK27c \n RKI( NCELL, 457) = 1.8800D-01 * SFACT \n! Reaction Label ROCALK28c \n RKI( NCELL, 458) = 1.8800D-01 * SFACT \n! Reaction Label ROCALK29c \n RKI( NCELL, 459) = 1.8800D-01 * SFACT \n! Reaction Label ROCALK30c \n RKI( NCELL, 460) = 1.8800D-01 * SFACT \n! Reaction Label HC1005 \n RKI( NCELL, 461) = 1.8800D-01 * SFACT \n! Reaction Label ROCALK31c \n RKI( NCELL, 462) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label ROCALK32c \n RKI( NCELL, 463) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label ROCALK33c \n RKI( NCELL, 464) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label ROCALK34c \n RKI( NCELL, 465) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label ROCALK35c \n RKI( NCELL, 466) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label ROCALK36c \n RKI( NCELL, 467) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label HC1006 \n RKI( NCELL, 468) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label ROCALK37c \n RKI( NCELL, 469) = 2.3000D-12 * CFACT \n! Reaction Label ROCALK38c \n RKI( NCELL, 470) = 2.3000D-12 * CFACT \n! Reaction Label ROCALK39c \n RKI( NCELL, 471) = 2.3000D-12 * CFACT \n! Reaction Label ROCALK40c \n RKI( NCELL, 472) = 2.3000D-12 * CFACT \n! Reaction Label ROCALK41c \n RKI( NCELL, 473) = 2.3000D-12 * CFACT \n! Reaction Label ROCALK42c \n RKI( NCELL, 474) = 2.3000D-12 * CFACT \n! Reaction Label HC1007 \n RKI( NCELL, 475) = 2.3000D-12 * CFACT \n! Reaction Label ROCALK43c \n RKI( NCELL, 476) = 2.1700D-11 * CFACT \n! Reaction Label ROCALK44c \n RKI( NCELL, 477) = 2.2000D-11 * CFACT \n! Reaction Label ROCALK45c \n RKI( NCELL, 478) = 2.2500D-11 * CFACT \n! Reaction Label ROCALK46c \n RKI( NCELL, 479) = 2.2600D-11 * CFACT \n! Reaction Label ROCALK47c \n RKI( NCELL, 480) = 2.2700D-11 * CFACT \n! Reaction Label ROCALK48c \n RKI( NCELL, 481) = 2.2700D-11 * CFACT \n! Reaction Label HC1008 \n RKI( NCELL, 482) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.6600D-13, 1.3000D+03 )\n! Reaction Label ROCARO01 \n RKI( NCELL, 483) = 1.8100D-11 * CFACT \n! Reaction Label ROCARO02 \n RKI( NCELL, 484) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9100D-13, 1.3000D+03 )\n! Reaction Label ROCARO03 \n RKI( NCELL, 485) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label ROCARO04 \n RKI( NCELL, 486) = 2.3000D-12 * CFACT \n! Reaction Label ROCARO05 \n RKI( NCELL, 487) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.5600D-14, 7.0800D+02 )\n! Reaction Label ROCARO06 \n RKI( NCELL, 488) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4000D-13, 7.6500D+02 )\n! Reaction Label ROCARO11 \n RKI( NCELL, 489) = 1.8100D-11 * CFACT \n! Reaction Label ROCARO12 \n RKI( NCELL, 490) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9100D-13, 1.3000D+03 )\n! Reaction Label ROCARO13 \n RKI( NCELL, 491) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label ROCARO14 \n RKI( NCELL, 492) = 2.3000D-12 * CFACT \n! Reaction Label ROCARO15 \n RKI( NCELL, 493) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.5600D-14, 7.0800D+02 )\n! Reaction Label ROCARO16 \n RKI( NCELL, 494) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4000D-13, 7.6500D+02 )\n! Reaction Label ROCARO21 \n RKI( NCELL, 495) = 2.3100D-11 * CFACT \n! Reaction Label ROCARO22 \n RKI( NCELL, 496) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9100D-13, 1.3000D+03 )\n! Reaction Label ROCARO23 \n RKI( NCELL, 497) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label ROCARO24 \n RKI( NCELL, 498) = 2.3000D-12 * CFACT \n! Reaction Label ROCARO25 \n RKI( NCELL, 499) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.5600D-14, 7.0800D+02 )\n! Reaction Label ROCARO26 \n RKI( NCELL, 500) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4000D-13, 7.6500D+02 )\n! Reaction Label ROCOXY1c \n RKI( NCELL, 501) = 5.9000D-11 * CFACT \n! Reaction Label ROCOXY2c \n RKI( NCELL, 502) = 6.0700D-11 * CFACT \n! Reaction Label ROCOXY3c \n RKI( NCELL, 503) = 5.5400D-11 * CFACT \n! Reaction Label ROCOXY4c \n RKI( NCELL, 504) = 5.6300D-11 * CFACT \n! Reaction Label ROCOXY5c \n RKI( NCELL, 505) = 5.4600D-11 * CFACT \n! Reaction Label ROCOXY6c \n RKI( NCELL, 506) = 4.5000D-11 * CFACT \n! Reaction Label ROCOXY7c \n RKI( NCELL, 507) = 5.1700D-11 * CFACT \n! Reaction Label ROCOXY8c \n RKI( NCELL, 508) = 4.7300D-11 * CFACT \n! Reaction Label ROCOXY9c \n RKI( NCELL, 509) = 4.6000D-11 * CFACT \n! Reaction Label ROCOXY10c \n RKI( NCELL, 510) = 3.8000D-11 * CFACT \n! Reaction Label ROCOXY11c \n RKI( NCELL, 511) = 3.9300D-11 * CFACT \n! Reaction Label ROCOXY12c \n RKI( NCELL, 512) = 3.5200D-11 * CFACT \n! Reaction Label ROCOXY13c \n RKI( NCELL, 513) = 3.1200D-11 * CFACT \n! Reaction Label ROCOXY14c \n RKI( NCELL, 514) = 2.4000D-11 * CFACT \n! Reaction Label ROCOXY15c \n RKI( NCELL, 515) = 2.0500D-11 * CFACT \n! Reaction Label ROCOXY16c \n RKI( NCELL, 516) = 4.6900D-11 * CFACT \n\n END DO \n! Multiply rate constants by [M], [O2], [N2], [H2O], [H2], or [CH4]\n! where needed and return\n IF ( NWM .GT. 0 ) THEN\n DO NRT = 1, NWM\n IRXN = NRXWM( NRT )\n DO NCELL = 1, NUMCELLS\n RKI( NCELL,IRXN ) = RKI( NCELL,IRXN ) * ATM_AIR\n END DO\n END DO\n END IF\n IF ( NWO2 .GT. 0 ) THEN\n DO NRT = 1, NWO2\n IRXN = NRXWO2( NRT )\n DO NCELL = 1, NUMCELLS\n RKI( NCELL,IRXN ) = RKI( NCELL,IRXN ) * ATM_O2\n END DO\n END DO\n END IF\n IF ( NWN2 .GT. 0 ) THEN\n DO NRT = 1, NWN2\n IRXN = NRXWN2( NRT )\n DO NCELL = 1, NUMCELLS\n RKI( NCELL,IRXN ) = RKI( NCELL,IRXN ) * ATM_N2\n END DO\n END DO\n END IF\n IF ( NWW .GT. 0 ) THEN\n DO NRT = 1, NWW\n IRXN = NRXWW( NRT )\n DO NCELL = 1, NUMCELLS\n RKI( NCELL,IRXN ) = RKI( NCELL,IRXN ) * BLKH2O( NCELL )\n END DO\n END DO\n END IF\n IF ( NWH2 .GT. 0 ) THEN\n DO NRT = 1, NWH2\n IRXN = NRXWH2( NRT )\n DO NCELL = 1, NUMCELLS\n RKI( NCELL,IRXN ) = RKI( NCELL,IRXN ) * ATM_H2\n END DO\n END DO\n END IF\n IF ( NWCH4 .GT. 0 ) THEN\n DO NRT = 1, NWCH4\n IRXN = NRXWCH4( NRT )\n DO NCELL = 1, NUMCELLS\n RKI( NCELL,IRXN ) = RKI( NCELL,IRXN ) * ATM_CH4\n END DO\n END DO\n END IF\n RETURN\n END SUBROUTINE CALC_RCONST\n FUNCTION MAP_CHEMISTRY_SPECIES() RESULT ( SUCCESS )\n\n! Purpose find or test the CGRID Index, Species Type, and Conversion Factor\n! for the Mechanism against the CMAQ namelists\n\n USE UTILIO_DEFN\n USE CGRID_SPCS\n USE RXNS_DATA\n\n IMPLICIT NONE\n\n!Parameters:\n CHARACTER( 1 ), PARAMETER :: BL = ' '\n INTEGER, PARAMETER :: SPC_DIM = 200\n!Local:\n\n LOGICAL SUCCESS\n INTEGER I, IOS, J\n INTEGER I1, I2, I3, I4 ! SURROGATE TYPE 1 COUNTERS\n INTEGER J1, J2 ! SURROGATE TYPE 2 COUNTERS\n INTEGER K1, K2, K3, K4, K5 ! CONTROL TYPE COUNTERS\n INTEGER ICALL\n\n LOGICAL :: ORDER = .TRUE.\n LOGICAL :: FOUND = .TRUE.\n\n CHARACTER( 120 ) :: XMSG\n\n CHARACTER( 16 ), ALLOCATABLE :: CGRID_SPC ( : )\n CHARACTER( 16 ), ALLOCATABLE :: NML_SPC ( : )\n CHARACTER( 2 ), ALLOCATABLE :: NML_TYPE ( : )\n INTEGER, ALLOCATABLE :: NML_INDEX ( : )\n LOGICAL, ALLOCATABLE :: NML_CONVERT( : )\n REAL, ALLOCATABLE :: NML_MOLWT ( : )\n REAL :: DELTA ! fractional difference\n\n LOGICAL, SAVE :: INITIALIZED = .FALSE.\n\n IF( INITIALIZED )RETURN\n\n INITIALIZED = .TRUE.\n SUCCESS = .TRUE.\n\n\n ALLOCATE ( CGRID_SPC( NSPCSD - 1 ), &\n & NML_SPC ( NSPCSD - 1 ), &\n & NML_INDEX( NSPCSD - 1 ), &\n & NML_TYPE( NSPCSD - 1 ), &\n & NML_CONVERT( NSPCSD - 1 ), &\n & NML_MOLWT( NSPCSD - 1 ), &\n & STAT = IOS )\n\n\n J = 0\n\n\n NML_INDEX = -1\n TYPE_INDEX = -1\n NML_TYPE = '??'\n NML_CONVERT = .FALSE.\n\n DO I = 1, N_GC_SPC ! load gc names and indices\n J = J + 1\n CGRID_SPC( I ) = GC_SPC( I )\n NML_INDEX( J ) = I + GC_STRT -1\n NML_TYPE( J ) = 'GC'\n NML_MOLWT( J ) = GC_MOLWT( I )\n END DO\n\n DO I = 1, N_AE_SPC ! load ae names and indices\n J = J + 1\n CGRID_SPC( J ) = AE_SPC( I )\n NML_INDEX( J ) = I + AE_STRT - 1\n NML_TYPE( J ) = 'AE'\n NML_CONVERT( J ) = .TRUE.\n NML_MOLWT( J ) = AE_MOLWT( I )\n END DO\n\n DO I = 1, N_NR_SPC ! load nr names and indices\n J = J + 1\n CGRID_SPC( J ) = NR_SPC( I )\n NML_INDEX( J ) = I + NR_STRT - 1\n NML_TYPE( J ) = 'NR'\n NML_MOLWT( J ) = NR_MOLWT( I )\n END DO\n\n DO I = 1, N_TR_SPC ! load tr names and indices\n J = J + 1\n CGRID_SPC( J ) = TR_SPC( I )\n NML_INDEX( J ) = I + TR_STRT - 1\n NML_TYPE( J ) = 'TR'\n NML_MOLWT( J ) = TR_MOLWT( I )\n END DO\n\n NML_SPC( 1:(NSPCSD-1) ) = CGRID_SPC( 1:(NSPCSD-1) )\n\n\n! determine if mechanism species are in cgrid species\n\n DO I = 1, NUMB_MECH_SPC\n! set species informations arrays using SPECIES_LIST array before mapping\n CHEMISTRY_SPC( I ) = SPECIES_LIST( I )%CHEMISTRY_SPC\n CGRID_INDEX ( I ) = SPECIES_LIST( I )%CGRID_INDEX\n SPECIES_TYPE ( I ) = SPECIES_LIST( I )%SPECIES_TYPE\n CONVERT_CONC ( I ) = SPECIES_LIST( I )%CONVERT_CONC\n SPECIES_MOLWT( I ) = SPECIES_LIST( I )%SPECIES_MOLWT\n\n I1 = INDEX1R( CHEMISTRY_SPC( I ), (NSPCSD-1), CGRID_SPC )\n IF ( I1 .LT. 1 ) THEN\n FOUND = .FALSE.\n ELSE\n FOUND = .TRUE.\n IF( .NOT. MAPPED_TO_CGRID )THEN\n CGRID_INDEX( I ) = NML_INDEX( I1 )\n SPECIES_TYPE( I ) = NML_TYPE ( I1 )\n SPECIES_MOLWT( I ) = NML_MOLWT( I1 )\n CONVERT_CONC( I ) = NML_CONVERT( I1 )\n ELSE\n IF(CGRID_INDEX( I ) .NE. NML_INDEX( I1 ))THEN\n SUCCESS = .FALSE.\n XMSG = '*** For Species ' // TRIM( CHEMISTRY_SPC( I ) ) &\n & // ' cgrid index does not match mechanism value.'\n WRITE( LOGDEV,'( /5X, A )' ) TRIM( XMSG )\n WRITE( XMSG,'(A,I3,1X,I3)')'CGRID Indices: Mechanism and NML Values are ', &\n & CGRID_INDEX( I ),NML_INDEX( I1 )\n WRITE( LOGDEV,'( 5X, A )' )XMSG\n END IF\n IF(CONVERT_CONC( I ) .NEQV. NML_CONVERT( I1 ))THEN\n SUCCESS = .FALSE.\n XMSG = '*** For Species ' // TRIM( CHEMISTRY_SPC( I ) ) &\n & // ' species unit conversion flag does not match mechanism value.'\n WRITE( LOGDEV,'( /5X, A )' ) TRIM( XMSG )\n WRITE( XMSG,'(A,1X,L21X,L2)')'CONVERSION FLAGS: Mechanism and NML Values are ', &\n & CONVERT_CONC( I ),NML_CONVERT( I1 )\n WRITE( LOGDEV,'( 5X, A )' )XMSG\n WRITE( XMSG,'(A,1X,A3,1X,A3)')'SPECIES TYPE: Mechanism and NML Values are ', &\n & SPECIES_TYPE( I ),NML_TYPE( I1 )\n WRITE( LOGDEV,'( 5X, A )' )XMSG\n END IF\n DELTA = ( SPECIES_MOLWT( I ) - NML_MOLWT( I1 ) )/MAX(NML_MOLWT( I1 ),1.0E-20)\n IF( ABS( DELTA ) .GE. 0.05 )THEN\n IF( CONVERT_CONC( I ) )SUCCESS = .FALSE.\n XMSG = '*** For Species ' // TRIM( CHEMISTRY_SPC( I ) ) &\n & // ' species molecular weight does not match mechanism value.'\n WRITE( LOGDEV,'( /5X, A )' ) TRIM( XMSG )\n WRITE( XMSG,'(A,2(ES12.4,1X))')'Molecular Weight: Mechanism and NML Values are ', &\n & SPECIES_MOLWT( I ), NML_MOLWT( I1 )\n WRITE( LOGDEV,'( 5X, A )' )XMSG\n END IF\n END IF\n END IF\n IF( INDEX( CHEMISTRY_SPC( I ), 'SRF') .GT. 0 )THEN\n SUCCESS = .FALSE.\n XMSG = '*** reactions cannot use modal aerosol surface area as species'\n WRITE( LOGDEV,'( /5X, A )' ) TRIM( XMSG )\n XMSG = TRIM( CHEMISTRY_SPC( I ) )\n WRITE( LOGDEV,'( 2X, A )' ) TRIM( XMSG )\n END IF\n IF( INDEX( CHEMISTRY_SPC( I ), 'NUM') .GT. 0 )THEN\n SUCCESS = .FALSE.\n XMSG = '*** reactions cannot use modal aerosol number density as species'\n WRITE( LOGDEV,'( /5X, A )' ) TRIM( XMSG )\n XMSG = TRIM( CHEMISTRY_SPC( I ) )\n WRITE( LOGDEV,'( 2X, A )' ) TRIM( XMSG )\n END IF\n IF ( .NOT. FOUND ) THEN\n XMSG = 'Fatal error: Mechanism Species found not in species namelist:'\n WRITE( LOGDEV,'( /5X, A )', ADVANCE = 'NO' ) TRIM( XMSG )\n XMSG = TRIM( CHEMISTRY_SPC( I ) )\n WRITE( LOGDEV,'( 2X, A )' ) TRIM( XMSG )\n SUCCESS = .FALSE.\n END IF\n END DO\n\n IF( SUCCESS )RETURN\n\n WRITE(LOGDEV,99901)TRIM( MECHNAME )\n XMSG = 'The FATAL errors found in namelist used. Check ' &\n & // 'the log of exiting processor if more details are needed.'\n CALL M3WARN('MAP_CHEMISTRY_SPECIES',0,0,XMSG)\n\n\n99901 FORMAT( / 'FATAL error(s) found in the namelists used. Check that ' &\n & / 'these namelists contain the above data as the respective files ' &\n & / 'in the respository version of the mechanism: ' , A )\n\n RETURN\n\n END FUNCTION MAP_CHEMISTRY_SPECIES\n!----------------------------------------------------------------------------------------\n INTEGER FUNCTION INDEX1R ( NAME, N, NLIST )\n IMPLICIT NONE\n CHARACTER( * ) NAME ! character string being searched for\n INTEGER N ! length of array to be searched\n CHARACTER( * ) NLIST( : ) ! array to be searched\n\n INTEGER I\n\n DO I = 1, N\n IF ( NAME .EQ. NLIST( I ) ) THEN\n INDEX1R = I\n RETURN\n END IF\n END DO\n INDEX1R = 0\n RETURN\n\n END FUNCTION INDEX1R\n SUBROUTINE RESET_SPECIES_POINTERS( IOLD2NEW )\n\n USE RXNS_DATA\n IMPLICIT NONE\n INTEGER, INTENT( IN ) :: IOLD2NEW( :,: ) \n\n\n INDEX_O3 = IOLD2NEW( INDEX_O3 , 1 )\n INDEX_O3P = IOLD2NEW( INDEX_O3P , 1 )\n INDEX_O1D = IOLD2NEW( INDEX_O1D , 1 )\n INDEX_H2O2 = IOLD2NEW( INDEX_H2O2 , 1 )\n INDEX_HO = IOLD2NEW( INDEX_HO , 1 )\n INDEX_NO2 = IOLD2NEW( INDEX_NO2 , 1 )\n INDEX_NO = IOLD2NEW( INDEX_NO , 1 )\n INDEX_NO3 = IOLD2NEW( INDEX_NO3 , 1 )\n INDEX_HONO = IOLD2NEW( INDEX_HONO , 1 )\n INDEX_HNO3 = IOLD2NEW( INDEX_HNO3 , 1 )\n INDEX_HNO4 = IOLD2NEW( INDEX_HNO4 , 1 )\n INDEX_HO2 = IOLD2NEW( INDEX_HO2 , 1 )\n INDEX_HCHO = IOLD2NEW( INDEX_HCHO , 1 )\n INDEX_CO = IOLD2NEW( INDEX_CO , 1 )\n INDEX_ACD = IOLD2NEW( INDEX_ACD , 1 )\n INDEX_MO2 = IOLD2NEW( INDEX_MO2 , 1 )\n INDEX_ALD = IOLD2NEW( INDEX_ALD , 1 )\n INDEX_ETHP = IOLD2NEW( INDEX_ETHP , 1 )\n INDEX_ACT = IOLD2NEW( INDEX_ACT , 1 )\n INDEX_ACO3 = IOLD2NEW( INDEX_ACO3 , 1 )\n INDEX_UALD = IOLD2NEW( INDEX_UALD , 1 )\n INDEX_KET = IOLD2NEW( INDEX_KET , 1 )\n INDEX_PINAL = IOLD2NEW( INDEX_PINAL , 1 )\n INDEX_HC10P = IOLD2NEW( INDEX_HC10P , 1 )\n INDEX_LIMAL = IOLD2NEW( INDEX_LIMAL , 1 )\n INDEX_MEK = IOLD2NEW( INDEX_MEK , 1 )\n INDEX_HKET = IOLD2NEW( INDEX_HKET , 1 )\n INDEX_MACR = IOLD2NEW( INDEX_MACR , 1 )\n INDEX_MACP = IOLD2NEW( INDEX_MACP , 1 )\n INDEX_XO2 = IOLD2NEW( INDEX_XO2 , 1 )\n INDEX_MVK = IOLD2NEW( INDEX_MVK , 1 )\n INDEX_GLY = IOLD2NEW( INDEX_GLY , 1 )\n INDEX_MGLY = IOLD2NEW( INDEX_MGLY , 1 )\n INDEX_DCB1 = IOLD2NEW( INDEX_DCB1 , 1 )\n INDEX_DCB2 = IOLD2NEW( INDEX_DCB2 , 1 )\n INDEX_BALD = IOLD2NEW( INDEX_BALD , 1 )\n INDEX_CHO = IOLD2NEW( INDEX_CHO , 1 )\n INDEX_OP1 = IOLD2NEW( INDEX_OP1 , 1 )\n INDEX_OP2 = IOLD2NEW( INDEX_OP2 , 1 )\n INDEX_OPB = IOLD2NEW( INDEX_OPB , 1 )\n INDEX_OP3 = IOLD2NEW( INDEX_OP3 , 1 )\n INDEX_PAA = IOLD2NEW( INDEX_PAA , 1 )\n INDEX_ONIT = IOLD2NEW( INDEX_ONIT , 1 )\n INDEX_PAN = IOLD2NEW( INDEX_PAN , 1 )\n INDEX_N2O5 = IOLD2NEW( INDEX_N2O5 , 1 )\n INDEX_SO2 = IOLD2NEW( INDEX_SO2 , 1 )\n INDEX_SULF = IOLD2NEW( INDEX_SULF , 1 )\n INDEX_SULRXN = IOLD2NEW( INDEX_SULRXN , 1 )\n INDEX_ETH = IOLD2NEW( INDEX_ETH , 1 )\n INDEX_HC3 = IOLD2NEW( INDEX_HC3 , 1 )\n INDEX_HC3P = IOLD2NEW( INDEX_HC3P , 1 )\n INDEX_ASOATJ = IOLD2NEW( INDEX_ASOATJ , 1 )\n INDEX_HC5 = IOLD2NEW( INDEX_HC5 , 1 )\n INDEX_HC5P = IOLD2NEW( INDEX_HC5P , 1 )\n INDEX_ETE = IOLD2NEW( INDEX_ETE , 1 )\n INDEX_ETEP = IOLD2NEW( INDEX_ETEP , 1 )\n INDEX_OLT = IOLD2NEW( INDEX_OLT , 1 )\n INDEX_OLTP = IOLD2NEW( INDEX_OLTP , 1 )\n INDEX_OLI = IOLD2NEW( INDEX_OLI , 1 )\n INDEX_OLIP = IOLD2NEW( INDEX_OLIP , 1 )\n INDEX_ACE = IOLD2NEW( INDEX_ACE , 1 )\n INDEX_ORA1 = IOLD2NEW( INDEX_ORA1 , 1 )\n INDEX_BEN = IOLD2NEW( INDEX_BEN , 1 )\n INDEX_BENP = IOLD2NEW( INDEX_BENP , 1 )\n INDEX_PHEN = IOLD2NEW( INDEX_PHEN , 1 )\n INDEX_TOL = IOLD2NEW( INDEX_TOL , 1 )\n INDEX_TOLP = IOLD2NEW( INDEX_TOLP , 1 )\n INDEX_CSL = IOLD2NEW( INDEX_CSL , 1 )\n INDEX_XYM = IOLD2NEW( INDEX_XYM , 1 )\n INDEX_XYMP = IOLD2NEW( INDEX_XYMP , 1 )\n INDEX_XYE = IOLD2NEW( INDEX_XYE , 1 )\n INDEX_XYEP = IOLD2NEW( INDEX_XYEP , 1 )\n INDEX_ISO = IOLD2NEW( INDEX_ISO , 1 )\n INDEX_INO2 = IOLD2NEW( INDEX_INO2 , 1 )\n INDEX_NALD = IOLD2NEW( INDEX_NALD , 1 )\n INDEX_ISOP = IOLD2NEW( INDEX_ISOP , 1 )\n INDEX_ISHP = IOLD2NEW( INDEX_ISHP , 1 )\n INDEX_ISON = IOLD2NEW( INDEX_ISON , 1 )\n INDEX_IPN = IOLD2NEW( INDEX_IPN , 1 )\n INDEX_IEPOX = IOLD2NEW( INDEX_IEPOX , 1 )\n INDEX_IPC = IOLD2NEW( INDEX_IPC , 1 )\n INDEX_ROH = IOLD2NEW( INDEX_ROH , 1 )\n INDEX_API = IOLD2NEW( INDEX_API , 1 )\n INDEX_APIP1 = IOLD2NEW( INDEX_APIP1 , 1 )\n INDEX_APIP2 = IOLD2NEW( INDEX_APIP2 , 1 )\n INDEX_LIM = IOLD2NEW( INDEX_LIM , 1 )\n INDEX_LIMP1 = IOLD2NEW( INDEX_LIMP1 , 1 )\n INDEX_LIMP2 = IOLD2NEW( INDEX_LIMP2 , 1 )\n INDEX_PINALP = IOLD2NEW( INDEX_PINALP , 1 )\n INDEX_RCO3 = IOLD2NEW( INDEX_RCO3 , 1 )\n INDEX_LIMALP = IOLD2NEW( INDEX_LIMALP , 1 )\n INDEX_ACTP = IOLD2NEW( INDEX_ACTP , 1 )\n INDEX_MEKP = IOLD2NEW( INDEX_MEKP , 1 )\n INDEX_KETP = IOLD2NEW( INDEX_KETP , 1 )\n INDEX_MCP = IOLD2NEW( INDEX_MCP , 1 )\n INDEX_MVKP = IOLD2NEW( INDEX_MVKP , 1 )\n INDEX_UALP = IOLD2NEW( INDEX_UALP , 1 )\n INDEX_DCB3 = IOLD2NEW( INDEX_DCB3 , 1 )\n INDEX_BALP = IOLD2NEW( INDEX_BALP , 1 )\n INDEX_ADDC = IOLD2NEW( INDEX_ADDC , 1 )\n INDEX_MCT = IOLD2NEW( INDEX_MCT , 1 )\n INDEX_MCTO = IOLD2NEW( INDEX_MCTO , 1 )\n INDEX_MOH = IOLD2NEW( INDEX_MOH , 1 )\n INDEX_EOH = IOLD2NEW( INDEX_EOH , 1 )\n INDEX_ETEG = IOLD2NEW( INDEX_ETEG , 1 )\n INDEX_MAHP = IOLD2NEW( INDEX_MAHP , 1 )\n INDEX_ORA2 = IOLD2NEW( INDEX_ORA2 , 1 )\n INDEX_ORAP = IOLD2NEW( INDEX_ORAP , 1 )\n INDEX_PPN = IOLD2NEW( INDEX_PPN , 1 )\n INDEX_MPAN = IOLD2NEW( INDEX_MPAN , 1 )\n INDEX_TRPN = IOLD2NEW( INDEX_TRPN , 1 )\n INDEX_HOM = IOLD2NEW( INDEX_HOM , 1 )\n INDEX_MCTP = IOLD2NEW( INDEX_MCTP , 1 )\n INDEX_OLNN = IOLD2NEW( INDEX_OLNN , 1 )\n INDEX_OLND = IOLD2NEW( INDEX_OLND , 1 )\n INDEX_APINP1 = IOLD2NEW( INDEX_APINP1 , 1 )\n INDEX_APINP2 = IOLD2NEW( INDEX_APINP2 , 1 )\n INDEX_LIMNP1 = IOLD2NEW( INDEX_LIMNP1 , 1 )\n INDEX_LIMNP2 = IOLD2NEW( INDEX_LIMNP2 , 1 )\n INDEX_ADCN = IOLD2NEW( INDEX_ADCN , 1 )\n INDEX_VROCP4OXY2 = IOLD2NEW( INDEX_VROCP4OXY2 , 1 )\n INDEX_VROCN1OXY6 = IOLD2NEW( INDEX_VROCN1OXY6 , 1 )\n INDEX_FURANONE = IOLD2NEW( INDEX_FURANONE , 1 )\n INDEX_VROCP3OXY2 = IOLD2NEW( INDEX_VROCP3OXY2 , 1 )\n INDEX_VROCP0OXY4 = IOLD2NEW( INDEX_VROCP0OXY4 , 1 )\n INDEX_BAL1 = IOLD2NEW( INDEX_BAL1 , 1 )\n INDEX_BAL2 = IOLD2NEW( INDEX_BAL2 , 1 )\n INDEX_ELHOM = IOLD2NEW( INDEX_ELHOM , 1 )\n INDEX_VROCIOXY = IOLD2NEW( INDEX_VROCIOXY , 1 )\n INDEX_SLOWROC = IOLD2NEW( INDEX_SLOWROC , 1 )\n INDEX_ACRO = IOLD2NEW( INDEX_ACRO , 1 )\n INDEX_BDE13 = IOLD2NEW( INDEX_BDE13 , 1 )\n INDEX_BDE13P = IOLD2NEW( INDEX_BDE13P , 1 )\n INDEX_FURAN = IOLD2NEW( INDEX_FURAN , 1 )\n INDEX_FURANO2 = IOLD2NEW( INDEX_FURANO2 , 1 )\n INDEX_PROG = IOLD2NEW( INDEX_PROG , 1 )\n INDEX_SESQ = IOLD2NEW( INDEX_SESQ , 1 )\n INDEX_SESQNRO2 = IOLD2NEW( INDEX_SESQNRO2 , 1 )\n INDEX_VROCN2OXY2 = IOLD2NEW( INDEX_VROCN2OXY2 , 1 )\n INDEX_SESQRO2 = IOLD2NEW( INDEX_SESQRO2 , 1 )\n INDEX_VROCP0OXY2 = IOLD2NEW( INDEX_VROCP0OXY2 , 1 )\n INDEX_VROCP1OXY3 = IOLD2NEW( INDEX_VROCP1OXY3 , 1 )\n INDEX_AGLYJ = IOLD2NEW( INDEX_AGLYJ , 1 )\n INDEX_IEPOXP = IOLD2NEW( INDEX_IEPOXP , 1 )\n INDEX_AISO3NOSJ = IOLD2NEW( INDEX_AISO3NOSJ , 1 )\n INDEX_ASO4J = IOLD2NEW( INDEX_ASO4J , 1 )\n INDEX_AISO3OSJ = IOLD2NEW( INDEX_AISO3OSJ , 1 )\n INDEX_VROCP6ALK = IOLD2NEW( INDEX_VROCP6ALK , 1 )\n INDEX_VROCP6ALKP = IOLD2NEW( INDEX_VROCP6ALKP , 1 )\n INDEX_VROCP5ALK = IOLD2NEW( INDEX_VROCP5ALK , 1 )\n INDEX_VROCP5ALKP = IOLD2NEW( INDEX_VROCP5ALKP , 1 )\n INDEX_VROCP4ALK = IOLD2NEW( INDEX_VROCP4ALK , 1 )\n INDEX_VROCP4ALKP = IOLD2NEW( INDEX_VROCP4ALKP , 1 )\n INDEX_VROCP3ALK = IOLD2NEW( INDEX_VROCP3ALK , 1 )\n INDEX_VROCP3ALKP = IOLD2NEW( INDEX_VROCP3ALKP , 1 )\n INDEX_VROCP2ALK = IOLD2NEW( INDEX_VROCP2ALK , 1 )\n INDEX_VROCP2ALKP = IOLD2NEW( INDEX_VROCP2ALKP , 1 )\n INDEX_VROCP1ALK = IOLD2NEW( INDEX_VROCP1ALK , 1 )\n INDEX_VROCP1ALKP = IOLD2NEW( INDEX_VROCP1ALKP , 1 )\n INDEX_HC10 = IOLD2NEW( INDEX_HC10 , 1 )\n INDEX_VROCP6ALKP2 = IOLD2NEW( INDEX_VROCP6ALKP2, 1 )\n INDEX_VROCP5ALKP2 = IOLD2NEW( INDEX_VROCP5ALKP2, 1 )\n INDEX_VROCP4ALKP2 = IOLD2NEW( INDEX_VROCP4ALKP2, 1 )\n INDEX_VROCP2OXY2 = IOLD2NEW( INDEX_VROCP2OXY2 , 1 )\n INDEX_VROCP3ALKP2 = IOLD2NEW( INDEX_VROCP3ALKP2, 1 )\n INDEX_VROCP1OXY1 = IOLD2NEW( INDEX_VROCP1OXY1 , 1 )\n INDEX_VROCP2ALKP2 = IOLD2NEW( INDEX_VROCP2ALKP2, 1 )\n INDEX_VROCP1ALKP2 = IOLD2NEW( INDEX_VROCP1ALKP2, 1 )\n INDEX_VROCN1OXY1 = IOLD2NEW( INDEX_VROCN1OXY1 , 1 )\n INDEX_HC10P2 = IOLD2NEW( INDEX_HC10P2 , 1 )\n INDEX_VROCP6ARO = IOLD2NEW( INDEX_VROCP6ARO , 1 )\n INDEX_VROCP6AROP = IOLD2NEW( INDEX_VROCP6AROP , 1 )\n INDEX_VROCN2OXY4 = IOLD2NEW( INDEX_VROCN2OXY4 , 1 )\n INDEX_VROCN1OXY3 = IOLD2NEW( INDEX_VROCN1OXY3 , 1 )\n INDEX_VROCP5ARO = IOLD2NEW( INDEX_VROCP5ARO , 1 )\n INDEX_VROCP5AROP = IOLD2NEW( INDEX_VROCP5AROP , 1 )\n INDEX_NAPH = IOLD2NEW( INDEX_NAPH , 1 )\n INDEX_NAPHP = IOLD2NEW( INDEX_NAPHP , 1 )\n INDEX_VROCN2OXY8 = IOLD2NEW( INDEX_VROCN2OXY8 , 1 )\n INDEX_VROCP5OXY1 = IOLD2NEW( INDEX_VROCP5OXY1 , 1 )\n INDEX_VROCP6OXY1 = IOLD2NEW( INDEX_VROCP6OXY1 , 1 )\n END SUBROUTINE RESET_SPECIES_POINTERS\n END MODULE RXNS_FUNCTION\n" }, { "path": "CCTM/src/MECHS/cracmm1amore_aq/SpecDef_Conc_cracmm1amore_aq.txt", "content": "!#start YYYYJJJ 010000\n!#end YYYYJJJ 000000\n#layer 1\n\n/\n! This Species Definition File is for Use with the COMBINE tool built for \n! post-processing CMAQ output. It is compatible with CMAQv5.2.\n! Date: May 12 2017\n\n! Output variables that begin with 'PM' represent those in which a size cut was \n! applied based on modeled aerosol mode parameters. For example, PM25_NA is all \n! sodium that falls below 2.5 um diameter. These 'PM' variables are used for \n! comparisons at IMPROVE and CSN sites.\n\n! Output variables that begin with 'PMAMS' represent the mass that would have\n! been detected by an Aerosol Mass Spectrometer.\n\n! Output variables beginning with 'A' (aside from AIR_DENS) represent a \n! combination of aerosol species in which no size cut was applied. For example, \n! ASO4IJ is the sum of i-mode and j-mode sulfate. These 'A' variables are used \n! for comparisons at CASTNet sites.\n\n! Output variables beginning with 'PMC' refer to the coarse fraction of total PM,\n! computed by summing all modes and subtracting the PM2.5 fraction. These 'PMC'\n! variables are used for comparisons at SEARCH sites.\n\n! This Species Definition File is just for use with the uncoupled, offline CMAQ,\n! model. If you are processing WRF-CMAQ results, a different Species Definition\n! file is required.\n\n/ File [1]: CMAQ conc/aconc file\n/ File [2]: METCRO3D file\n/ File [3]: ELMO/AELMO file\n/ File [4]: METCRO2D file\n/\n/new species ,units ,expression\n \n!-------------------------------------------!\n!------------- Meteorology -----------------!\n!-------------------------------------------!\nAIR_DENS ,kg m-3 ,DENS[2]\nRH ,% ,100.00*RH[3]\nSFC_TMP ,C ,(TEMP2[4]-273.15)\nPBLH ,m ,PBL[4]\nSOL_RAD ,W m-2 ,RGRND[4]\nprecip ,cm ,RC[4]>=0 ? RN[4]+RC[4] : RN[4]\nWSPD10 ,m s-1 ,WSPD10[4]\nWDIR10 ,deg ,WDIR10[4]\n\n!-------------------------------------------!\n!--------------- Gases ---------------------!\n!-------------------------------------------!\nCO ,ppbV ,1000.0*CO[1]\nH2O2 ,ppbV ,1000.0*H2O2[1]\nHNO3 ,ppbV ,1000.0*HNO3[1]\nHNO3_UGM3 ,ug m-3 ,1000.0*(HNO3[1]*2.1756*DENS[2]) \nHONO ,ppbV ,1000.0*HONO[1]\nHOX ,ppbV ,1000.0*(HO[1]+HO2[1])\nOH ,ppbV ,1000.0*HO[1]\nN2O5 ,ppbV ,1000.0*N2O5[1]\nNH3 ,ppbV ,1000.0*NH3[1]\nNH3_UGM3 ,ug m-3 ,1000.0*(NH3[1]*0.5880*DENS[2])\nNHX ,ug m-3 ,1000.0*(NH3[1]*0.5880*DENS[2])+ANH4I[1]+ANH4J[1]+ANH4K[1]\nNO ,ppbV ,1000.0*NO[1]\nNO2 ,ppbV ,1000.0*NO2[1]\nNOX ,ppbV ,1000.0*(NO[1] + NO2[1])\nANO3_PPB ,ppbV ,(ANO3I[1]+ANO3J[1]+ANO3K[1])/(DENS[2]*(62.0/28.97))\nNTR ,ppbV ,1000.0*(ONIT[1]+ISON[1]+NALD[1]+IPN[1]+IPC[1]+TRPN[1]), organic nitrates in RACM2\nPANS ,ppbV ,1000.0*(PAN[1]+PPN[1]+MPAN[1])\nNOY ,ppbV ,1000.0*(NO[1]+NO2[1]+NO3[1]+2*N2O5[1]+HONO[1] \\\n +HNO3[1]+HNO4[1]+PAN[1]+PPN[1]+MPAN[1] \\\n +ISON[1]+NALD[1]+IPN[1]+IPC[1]+TRPN[1]+ONIT[1])+ANO3_PPB[0]\nO3 ,ppbV ,1000.0*O3[1]\nSO2 ,ppbV ,1000.0*SO2[1]\nSO2_UGM3 ,ug m-3 ,1000.0*(SO2[1]*2.2118*DENS[2])\nTERP ,ppbV ,1000.0*(API[1]+LIM[1]), a-pinene and limonene monoterpenes in RACM2\n\n! Deprecate these names in future\nETH ,ppbV ,1000.0*ETE[1], ethene is ETE in RACM2\nETHA ,ppbV ,1000.0*ETH[1], ethane is ETH in RACM2\nALD2 ,ppbV ,1000.0*ACD[1], acetaldehyde is ACD in RACM2\nFORM ,ppbV ,1000.0*HCHO[1], formaldehyde is HCHO RACM2\nISOP ,ppbV ,1000.0*ISO[1], isoprene is ISO in RACM2\nTOL ,ppbV ,1000.0*TOL[1]\n\n! Hydrocarbons for evaluation. Note an \"s\" on the end indicates a collection of species from AQS\nACETALDEHYDE ,ppbV ,1000.0*ACD[1]\nACETYLENE ,ppbV ,1000.0*ACE[1]\nACROLEIN ,ppbV ,1000.0*ACRO[1]\nACETONE ,ppbV ,1000.0*ACT[1]\nBUTADIENE13 ,ppbV ,1000.0*BDE13[1]\nBENZENE ,ppbV ,1000.0*BEN[1]\nETHYLENE ,ppbV ,1000.0*ETE[1], ethene is ETE in RACM2\nETHANE ,ppbV ,1000.0*ETH[1], ethane is ETH in RACM2\nISOPRENE ,ppbV ,1000.0*ISO[1], isoprene is ISO in RACM2\nFORMALDEHYDE ,ppbV ,1000.0*HCHO[1], formaldehyde is HCHO RACM2\nMEKETONE ,ppbV ,1000.0*MEK[1]\nTOLUENE ,ppbV ,1000.0*TOL[1]\nXYLENES ,ppbV ,1000.0*(XYE[1]+XYM[1])\nHCPROPANES ,ppbV ,1000.0*(HC3[1])\nHCPENTANES ,ppbV ,1000.0*(HC5[1])\nHCDECANES ,ppbV ,1000.0*(HC10[1]), formerly HC8\nOLEFINS ,ppbV ,1000.0*(OLI[1]+OLT[1])\nABPINENES ,ppbV ,1000.0*(API[1])\n\n!! Unused Gases. Presented Here for illustration. Users can uncomment\n!! them if they choose.\nALDX ,ppbV ,1000.0*ALD[1], C3 and higher aldehydes is ALD in RACM2\n!NOZ ,ppbV ,NOY[0]-NOX[0]\n!SULF ,ppbV ,1000.0*SULF[1]\n! SIGROC: L/S/IVOC alk and oxy gas species\nLSIVROC ,ppbC ,1000.0* (9.5*VROCIOXY[1] \\\n +14.0*VROCP5ARO[1]+13.0*VROCP6ARO[1] \\\n +30.0*VROCN2ALK[1]+29.0*VROCN1ALK[1] \\\n +28.0*VROCP0ALK[1]+27.0*VROCP1ALK[1] \\\n +24.0*VROCP2ALK[1]+21.0*VROCP3ALK[1] \\\n +18.0*VROCP4ALK[1]+14.0*VROCP5ALK[1] \\\n +13.0*VROCP6ALK[1]\\\n +17.0*VROCN2OXY2[1]+11.0*VROCN2OXY4[1] \\ \n +7.0*VROCN2OXY8[1]+20.0*VROCN1OXY1[1] \\ \n +12.0*VROCN1OXY3[1]+8.0*VROCN1OXY6[1] \\ \n +14.0*VROCP0OXY2[1]+10.0*VROCP0OXY4[1] \\ \n +17.0*VROCP1OXY1[1]+11.0*VROCP1OXY3[1] \\ \n +12.0*VROCP2OXY2[1]+11.0*VROCP3OXY2[1] \\ \n +9.0*VROCP4OXY2[1]+11.0*VROCP5OXY1[1] \\ \n +9.0*VROCP6OXY1[1] ), \n! VROC: Total gas-phase (vapor) reactive organic carbon (stable species only) \nVROC ,ppbC ,1000.0*(2.0*ACD[1]+2.0*ACE[1] \\\n +3.0*ACRO[1]+3.0*ACT[1]+3.0*ALD[1]+10*API[1] \\\n +7.0*BALD[1]+4.0*BDE13[1]+6.0*BEN[1] \\\n +9.0*CSL[1]+5.0*DCB1[1]+6.0*DCB2[1]+4.0*DCB3[1] \\\n +20.0*ELHOM[1] \\\n +2.0*EOH[1]+2.0*ETE[1]+2.0*ETEG[1]+2.0*ETH[1] \\\n +5.0*FURAN[1]+4.0*FURANONE[1]+2.0*GLY[1]+10.0*HOM[1] \\\n +3.0*HC3[1]+5.0*HC5[1]+10.0*HC10[1] \\\n +1.0*HCHO[1]+3.0*HKET[1] \\\n +5.0*IEPOX[1]+5.0*ISHP[1]\\\n +5.0*ISO[1]+5.0*KET[1] \\\n +10.0*LIM[1]+10.0*LIMAL[1]+4.0*MACR[1]+4*MAHP[1] \\\n +7.0*MCT[1] \\\n +4.0*MEK[1]+3.0*MGLY[1]+1.0*MOH[1]+4.0*MVK[1] \\\n +10.0*NAPH[1]+5.0*OLI[1]+3.0*OLT[1] \\\n +1.0*OP1[1]+2.0*OP2[1]+8.0*OP3[1]+10.0*OPB[1] \\\n +1.0*ORA1[1]+2.0*ORA2[1] \\\n +10.0*PINAL[1] \\\n +6.0*PHEN[1]+3.0*PROG[1] \\\n +3.0*ROH[1]+15.0*SESQ[1]+2.1*SLOWROC[1] \\\n +7.0*TOL[1]+5.0*UALD[1] \\\n +8.0*XYM[1]+8.0*XYE[1] \\\n +2.0*PAA[1]+2.0*PAN[1]+3.0*PPN[1]+4.0*MPAN[1] \\ \n +4.0*ONIT[1]+5.0*ISON[1] \\\n +5.0*NALD[1]+5.0*IPN[1]+5.0*IPC[1]+10.0*TRPN[1] ) \\ \n +LSIVROC[0] ,\n\n!-------------------------------------------!\n!--------------- Particles -----------------!\n!-------------------------------------------!\n!! Crustal Elements\nAFEJ ,ug m-3 ,AFEJ[1]\nAALJ ,ug m-3 ,AALJ[1]\nASIJ ,ug m-3 ,ASIJ[1]\nATIJ ,ug m-3 ,ATIJ[1]\nACAJ ,ug m-3 ,ACAJ[1]\nAMGJ ,ug m-3 ,AMGJ[1]\nAKJ ,ug m-3 ,AKJ[1]\nAMNJ ,ug m-3 ,AMNJ[1]\nASOILJ ,ug m-3 ,2.20*AALJ[1]+2.49*ASIJ[1]+1.63*ACAJ[1]+2.42*AFEJ[1]+1.94*ATIJ[1]\n\n!! Non-Crustal Inorganic Particle Species\nAHPLUSIJ ,umol m-3 ,(AH3OPI[1]+AH3OPJ[1])*1.0/19.0\nANAK ,ug m-3 ,0.8373*ASEACAT[1]+0.0626*ASOIL[1]+0.0023*ACORS[1]\nAMGK ,ug m-3 ,0.0997*ASEACAT[1]+0.0170*ASOIL[1]+0.0032*ACORS[1]\nAKK ,ug m-3 ,0.0310*ASEACAT[1]+0.0242*ASOIL[1]+0.0176*ACORS[1]\nACAK ,ug m-3 ,0.0320*ASEACAT[1]+0.0838*ASOIL[1]+0.0562*ACORS[1]\nACLIJ ,ug m-3 ,ACLI[1]+ACLJ[1]\nAECIJ ,ug m-3 ,AECI[1]+AECJ[1]\nANAIJ ,ug m-3 ,ANAJ[1]+ANAI[1]\nANO3IJ ,ug m-3 ,ANO3I[1]+ANO3J[1]\nANO3K ,ug m-3 ,ANO3K[1]\nTNO3 ,ug m-3 ,2175.6*(HNO3[1]*DENS[2])+ANO3I[1]+ANO3J[1]+ANO3K[1]\nANH4IJ ,ug m-3 ,ANH4I[1]+ANH4J[1]\nANH4K ,ug m-3 ,ANH4K[1]\nASO4IJ ,ug m-3 ,ASO4I[1]+ASO4J[1]\nASO4K ,ug m-3 ,ASO4K[1]\n\n!! Organic Particle Species\n! Why is there an APOCI and APOCJ in the output? It doesn't match below \nAPOCI ,ugC m-3, AROCN2ALKI[1]/1.39 + AROCN1ALKI[1]/1.32 \\\n + AROCP0ALKI[1]/1.17 + AROCP1ALKI[1]/1.17\nAPOCJ ,ugC m-3, AROCN2ALKJ[1]/1.39 + AROCN1ALKJ[1]/1.32 \\\n + AROCP0ALKJ[1]/1.17 + AROCP1ALKJ[1]/1.17 \\\n + AROCP2ALKJ[1]/1.17 + AROCP3ALKJ[1]/1.17\nAPOCIJ ,ugC m-3, APOCI[0] + APOCJ[0]\n\nAPOMI ,ug m-3, AROCN2ALKI[1] + AROCN1ALKI[1] \\\n + AROCP0ALKI[1] + AROCP1ALKI[1] + APNCOMI[1]\nAPOMJ ,ug m-3, AROCN2ALKJ[1] + AROCN1ALKJ[1] + AROCP0ALKJ[1] \\\n + AROCP1ALKJ[1] + AROCP2ALKJ[1] + AROCP3ALKJ[1] + APNCOMJ[1]\nAPOMIJ ,ug m-3, APOMI[0] + APOMJ[0]\nASOCI ,ugC m-3, AROCN2OXY2I[1]/1.42 + AROCN2OXY4I[1]/1.67 \\\n + AROCN2OXY8I[1]/2.17 + AROCN1OXY1I[1]/1.29 \\\n + AROCN1OXY3I[1]/1.54 + AROCN1OXY6I[1]/1.92 \\\n + AROCP0OXY2I[1]/1.42 + AROCP0OXY4I[1]/1.67 \\\n + AROCP1OXY1I[1]/1.29 + AROCP1OXY3I[1]/1.54\nASOCJ ,ugC m-3, AHOMJ[1]/2.08 + AELHOMJ[1]/1.67 + AISO3NOSJ[1]/2.27 \\\n + AISO3OSJ[1]/3.6 + AGLYJ[1]/2.13 + AORGCJ[1]/2 \\\n + AOP3J[1]/1.92 + ASOATJ[1]/2.31 + AROCN2OXY2J[1]/1.42 \\\n + AROCN2OXY4J[1]/1.67 + AROCN2OXY8J[1]/2.17 + AROCN1OXY1J[1]/1.29 \\\n + AROCN1OXY3J[1]/1.54 + AROCN1OXY6J[1]/1.92 + AROCP0OXY2J[1]/1.42 \\\n + AROCP0OXY4J[1]/1.67 + AROCP1OXY1J[1]/1.29 + AROCP1OXY3J[1]/1.54 \\\n + AROCP2OXY2J[1]/1.42 + AROCP3OXY2J[1]/1.42 \nASOCIJ ,ugC m-3, ASOCI[0] + ASOCJ[0]\n\nASOMI ,ug m-3, AROCN2OXY2I[1] + AROCN2OXY4I[1] \\\n + AROCN2OXY8I[1] + AROCN1OXY1I[1] \\\n + AROCN1OXY3I[1] + AROCN1OXY6I[1] \\\n + AROCP0OXY2I[1] + AROCP0OXY4I[1] \\\n + AROCP1OXY1I[1] + AROCP1OXY3I[1]\nASOMJ ,ug m-3, AHOMJ[1] + AELHOMJ[1] + AISO3NOSJ[1] \\\n + AISO3OSJ[1] + AGLYJ[1] + AORGCJ[1] \\\n + AOP3J[1] + ASOATJ[1] + AROCN2OXY2J[1] \\\n + AROCN2OXY4J[1] + AROCN2OXY8J[1] + AROCN1OXY1J[1] \\\n + AROCN1OXY3J[1] + AROCN1OXY6J[1] + AROCP0OXY2J[1] \\\n + AROCP0OXY4J[1] + AROCP1OXY1J[1] + AROCP1OXY3J[1] \\\n + AROCP2OXY2J[1] + AROCP3OXY2J[1]\n\nASOMIJ ,ug m-3 ,ASOMI[0] + ASOMJ[0]\n \nAOCI ,ugC m-3 ,APOCI[0] + ASOCI[0]\nAOCJ ,ugC m-3 ,APOCJ[0] + ASOCJ[0]\n\nAOCIJ ,ugC m-3 ,APOCIJ[0] + ASOCIJ[0]\n\n\nAOMI ,ug m-3 ,APOMI[0] + ASOMI[0]\nAOMJ ,ug m-3 ,APOMJ[0] + ASOMJ[0]\n\nAOMIJ ,ug m-3 ,APOMIJ[0] + ASOMIJ[0]\n\n!!! Anthropogenic-VOC Derived Organic Aerosol\nAORGAI ,ug m-3 ,AROCN2OXY2I[1]+AROCN2OXY4I[1]+AROCN2OXY8I[1]+AROCN1OXY1I[1] \\\n +AROCN1OXY3I[1]+AROCN1OXY6I[1]+AROCP0OXY2I[1]+AROCP0OXY4I[1] \\\n +AROCP1OXY1I[1]+AROCP1OXY3I[1]\n \nAORGAJ ,ug m-3 ,AROCN2OXY2J[1]+AROCN2OXY4J[1]+AROCN2OXY8J[1]+AROCN1OXY1J[1] \\\n +AROCN1OXY3J[1]+AROCN1OXY6J[1]+AROCP0OXY2J[1]+AROCP0OXY4J[1] \\\n +AROCP1OXY1J[1]+AROCP1OXY3J[1]+AROCP2OXY2J[1]+AROCP3OXY2J[1] \\\n +AOP3J[1] +ASOATJ[1]\nAORGAIJ ,ug m-3 ,AORGAI[0] + AORGAJ[0]\n\n!!! Biogenic-VOC Derived Organic Aerosol\nAORGBIJ ,ug m-3 ,AISO3NOSJ[1] +AISO3OSJ[1] +AHOMJ[1] + AELHOMJ[1]\n\n!!! Cloud-Processed SOA\nAORGCJ ,ug m-3 ,AORGCJ[1]\n!!! Remaining SOA\nAGLYJ ,ug m-3 ,AGLYJ[1]\n\n!!! OM/OC ratios\nAOMOCRAT_TOT , ,AOMIJ[0]/AOCIJ[0]\n\n!! Total PM Aggregates\nATOTI ,ug m-3 ,ASO4I[1] + ANH4I[1] + ANO3I[1] + ANAI[1] \\\n +ACLI[1] + AECI[1] + AOMI[0] + AOTHRI[1] \nATOTJ ,ug m-3 ,ASO4J[1] + ANH4J[1] + ANO3J[1] + ANAJ[1] \\\n +ACLJ[1] + AECJ[1] + AOMJ[0] + AOTHRJ[1] \\\n +AFEJ[1] + AALJ[1] + ASIJ[1] + ATIJ[1] \\\n +ACAJ[1] + AMGJ[1] + AKJ[1] + AMNJ[1] \n \nATOTK ,ug m-3 ,ASO4K[1] + ANH4K[1] + ANO3K[1] + ACLK[1] \\\n +ACORS[1] + ASOIL[1] + ASEACAT[1] \nATOTIJ ,ug m-3 ,ATOTI[0] + ATOTJ[0] \nATOTIJK ,ug m-3 ,ATOTI[0] + ATOTJ[0] + ATOTK[0]\n\n!! Unspeciated PM including non-carbon organic mass\nAUNSPEC1IJ ,ug m-3 ,ATOTIJ[0] - (ASO4IJ[0] + ANO3IJ[0] \\\n +ANH4IJ[0] + ACLIJ[0] \\\n +ANAIJ[0] + AECIJ[0] \\\n +AOCIJ[0] + ASOILJ[0]) \n!! Non-Carbon Organic Mass\nANCOMIJ ,ug m-3 ,AOMIJ[0] - AOCIJ[0]\n\n!! Unspeciated PM excluding non-carbon organic mass\nAUNSPEC2IJ ,ug m-3 ,AUNSPEC1IJ[0] - ANCOMIJ[0]\n\n!! AMS Projection of Output Concentrations\nPMAMS_CL ,ug m-3 ,ACLI[1] *FAMSAIT[3] +ACLJ[1]*FAMSACC[3]+ACLK[1] *FAMSCOR[3]\nPMAMS_NH4 ,ug m-3 ,ANH4I[1]*FAMSAIT[3]+ANH4J[1]*FAMSACC[3]+ANH4K[1]*FAMSCOR[3]\nPMAMS_NO3 ,ug m-3 ,ANO3I[1]*FAMSAIT[3]+ANO3J[1]*FAMSACC[3]+ANO3K[1]*FAMSCOR[3]\nPMAMS_OA ,ug m-3 ,AOMI[0] *FAMSAIT[3]+AOMJ[0] *FAMSACC[3]\nPMAMS_SO4 ,ug m-3 ,ASO4I[1]*FAMSAIT[3]+ASO4J[1]*FAMSACC[3]+ASO4K[1]*FAMSCOR[3]\n\n!! PM1 Cutoff Output\nPM1_TOT ,ug m-3 ,ATOTI[0]*FPM1AIT[3]+ATOTJ[0]*FPM1ACC[3]+ATOTK[0]*FPM1COR[3]\n\n!! Unused PM1 Species. Included Here for demonstration\n!PM1_EC ,ug m-3 ,AECI[1] *FPM1AIT[3] +AECJ[1] *FPM1ACC[3]\n!PM1_OC ,ugC m-3 ,AOCI[0] *FPM1AIT[3] +AOCJ[0] *FPM1ACC[3]\n!PM1_OM ,ug m-3 ,AOMI[0] *FPM1AIT[3] +AOMJ[0] *FPM1ACC[3]\n!PM1_SO4 ,ug m-3 ,ASO4I[1]*FPM1AIT[3] +ASO4J[1]*FPM1ACC[3] +ASO4K[1]*FPM1COR[3]\n!PM1_CL ,ug m-3 ,ACLI[1] *FPM1AIT[3] +ACLJ[1] *FPM1ACC[3] +ACLK[1] *FPM1COR[3]\n!PM1_NA ,ug m-3 ,ANAI[1] *FPM1AIT[3] +ANAJ[1] *FPM1ACC[3] +ANAK[0] *FPM1COR[3]\n!PM1_MG ,ug m-3 , AMGJ[1] *FPM1ACC[3] +AMGK[0] *FPM1COR[3]\n!PM1_K ,ug m-3 , AKJ[1] *FPM1ACC[3] +AKK[0] *FPM1COR[3]\n!PM1_CA ,ug m-3 , ACAJ[1] *FPM1ACC[3] +ACAK[0] *FPM1COR[3]\n!PM1_NH4 ,ug m-3 ,ANH4I[1] *FPM1AIT[3]+ANH4J[1]*FPM1ACC[3] +ANH4K[1]*FPM1COR[3]\n!PM1_NO3 ,ug m-3 ,ANO3I[1] *FPM1AIT[3]+ANO3J[1]*FPM1ACC[3] +ANO3K[1]*FPM1COR[3] \n!PM1_SOIL ,ug m-3 ,ASOILJ[0]*FPM1ACC[3]+(ASOIL[1]+ACORS[1])*FPM1COR[3]\n!PM1_UNSPEC1 ,ug m-3 ,PM1_TOT[0] - (PM1_CL[0] + PM1_EC[0]+ PM1_NA[0] + PM1_NH4[0] + \\\n! PM1_NO3[0]+ PM1_OC[0]+ PM1_SOIL[0]+ PM1_SO4[0] ) \n!PM1_UNSPCRS ,ug m-3 ,ATOTK[0] *FPM1COR[3] - (ASO4K[1]*FPM1COR[3] \\\n! +ACLK[1]*FPM1COR[3] \\\n! +ANAK[0]*FPM1COR[3] \\\n! +AMGK[0]*FPM1COR[3] \\\n! +AKK[0]*FPM1COR[3] \\\n! +ACAK[0]*FPM1COR[3] \\\n! +ANH4K[1]*FPM1COR[3] \\\n! +ANO3K[1]*FPM1COR[3]) \n \n!! PM2.5 species computed using modeled size distribution\nPM25_HP ,ug m-3 ,(AH3OPI[1]*FPM25AIT[3]+AH3OPJ[1]*FPM25ACC[3]+AH3OPK[1]*FPM25COR[3])*1.0/19.0\nPM25_CL ,ug m-3 ,ACLI[1]*FPM25AIT[3]+ACLJ[1]*FPM25ACC[3]+ACLK[1]*FPM25COR[3]\nPM25_EC ,ug m-3 ,AECI[1]*FPM25AIT[3]+AECJ[1]*FPM25ACC[3]\nPM25_NA ,ug m-3 ,ANAI[1]*FPM25AIT[3]+ANAJ[1]*FPM25ACC[3]+ANAK[0]*FPM25COR[3]\nPM25_MG ,ug m-3 , AMGJ[1]*FPM25ACC[3]+AMGK[0]*FPM25COR[3]\nPM25_K ,ug m-3 , AKJ[1] *FPM25ACC[3]+AKK[0] *FPM25COR[3]\nPM25_CA ,ug m-3 , ACAJ[1]*FPM25ACC[3]+ACAK[0]*FPM25COR[3]\nPM25_NH4 ,ug m-3 ,ANH4I[1]*FPM25AIT[3]+ANH4J[1]*FPM25ACC[3]+ANH4K[1]*FPM25COR[3]\nPM25_NO3 ,ug m-3 ,ANO3I[1]*FPM25AIT[3]+ANO3J[1]*FPM25ACC[3]+ANO3K[1]*FPM25COR[3]\nPM25_OC ,ugC m-3 ,AOCI[0] *FPM25AIT[3]+AOCJ[0]*FPM25ACC[3]\nPM25_OM ,ug m-3 ,AOMI[0] *FPM25AIT[3]+AOMJ[0]*FPM25ACC[3]\nPM25_SOIL ,ug m-3 ,ASOILJ[0]*FPM25ACC[3]+ASOIL[1]*FPM25COR[3]\nPM25_SO4 ,ug m-3 ,ASO4I[1]*FPM25AIT[3]+ASO4J[1]*FPM25ACC[3]+ASO4K[1]*FPM25COR[3]\nPM25_TOT ,ug m-3 ,ATOTI[0]*FPM25AIT[3]+ATOTJ[0]*FPM25ACC[3]+ATOTK[0]*FPM25COR[3]\nPM25_UNSPEC1 ,ug m-3 ,PM25_TOT[0]-(PM25_CL[0]+PM25_EC[0]+PM25_NA[0]+PM25_NH4[0] \\\n +PM25_NO3[0]+PM25_OC[0]+PM25_SOIL[0]+PM25_SO4[0])\nPM25_UNSPCRS ,ug m-3 ,ATOTK[0]*FPM25COR[3] - (ASO4K[1]*FPM25COR[3] \\\n +ACLK[1]*FPM25COR[3] \\\n +ANAK[0]*FPM25COR[3] \\\n +AMGK[0]*FPM25COR[3] \\\n +AKK[0]*FPM25COR[3] \\\n +ACAK[0]*FPM25COR[3] \\\n +ANH4K[1]*FPM25COR[3] \\\n +ANO3K[1]*FPM25COR[3]) \n\n\n!! Fine particle acidity (pH). pH is undefined if there is no aerosol water. \n!Do not trust predictions when hourly water is <0.01 ug m-3. FINEPHF will \n!have large negative value (-9.999E36) when pH is not to be trusted.\n!AH2OIJ ,ug m-3 ,AH2OI[1]+AH2OJ[1]\n!HPMOLAL ,mol kg-1 ,AHPLUSIJ[0]/AH2OIJ[0]*1000.0\n!ACIDITYTEMP , ,-1*LOG10(HPMOLAL[0])\n!FINEPHF , ,AH2OIJ[0]>0.01 ? ACIDITYTEMP[0] : -9.999E36\n\n!! PM10.0 and Coarse-Sized Species\nPM10 ,ug m-3 ,ATOTI[0]*FPM10AIT[3]+ATOTJ[0]*FPM10ACC[3]+ATOTK[0]*FPM10COR[3]\n\nPMC_CL ,ug m-3 ,ACLI[1]*FPM10AIT[3] +ACLJ[1]*FPM10ACC[3] +ACLK[1]*FPM10COR[3] -PM25_CL[0]\nPMC_NA ,ug m-3 ,ANAI[1]*FPM10AIT[3] +ANAJ[1]*FPM10ACC[3] +ANAK[0]*FPM10COR[3] -PM25_NA[0]\nPMC_NH4 ,ug m-3 ,ANH4I[1]*FPM10AIT[3]+ANH4J[1]*FPM10ACC[3]+ANH4K[1]*FPM10COR[3]-PM25_NH4[0]\nPMC_NO3 ,ug m-3 ,ANO3I[1]*FPM10AIT[3]+ANO3J[1]*FPM10ACC[3]+ANO3K[1]*FPM10COR[3]-PM25_NO3[0]\nPMC_SO4 ,ug m-3 ,ASO4I[1]*FPM10AIT[3]+ASO4J[1]*FPM10ACC[3]+ASO4K[1]*FPM10COR[3]-PM25_SO4[0]\nPMC_TOT ,ug m-3 ,PM10[0]-PM25_TOT[0]\n\n!! FRM PM Equivalent Calculation\n!! This section calculates the FRM applicable PM species, PMIJ_FRM and\n!! PM25_FRM. The intermediate variablse K...ANH4IJ_loss are needed to \n!! calculate the final quantities.\nK ,ppb2 ,exp(118.87-24084/TEMP2[4]-6.025*log(TEMP2[4]))\nP1 , ,exp(8763/TEMP2[4]+19.12*log(TEMP2[4])-135.94)\nP2 , ,exp(9969/TEMP2[4]+16.22*log(TEMP2[4])-122.65)\nP3 , ,exp(13875/TEMP2[4]+24.46*log(TEMP2[4])-182.61)\na , ,1-RH[0]/100\nK_prime ,ppb2 ,(P1[0]-P2[0]*a[0]+(P3[0]*a[0]*a[0]))*(a[0]^1.75)*K[0]\nsqrt_Ki ,ppb ,sqrt(RH[0]<=61 ? K[0] : K_prime[0])\nmax_NO3_loss ,ug m-3 ,745.7/TEMP2[4]*sqrt_Ki[0]\nPM25_NO3_loss ,ug m-3 ,max_NO3_loss[0]<=PM25_NO3[0] ? max_NO3_loss[0] : PM25_NO3[0]\nANO3IJ_loss ,ug m-3 ,max_NO3_loss[0]<=ANO3IJ[0] ? max_NO3_loss[0] : ANO3IJ[0]\nPM25_NH4_loss ,ug m-3 ,PM25_NO3_loss[0]*(18/62)\nANH4IJ_loss ,ug m-3 ,ANO3IJ_loss[0]*(18/62)\nPMIJ_FRM ,ug m-3 ,ATOTIJ[0]-(ANO3IJ_loss[0]+ANH4IJ_loss[0]) \\\n +0.24*(ASO4IJ[0]+ANH4IJ[0]-ANH4IJ_loss[0])+0.5\nPM25_FRM ,ug m-3 ,PM25_TOT[0]-(PM25_NO3_loss[0]+PM25_NH4_loss[0]) \\\n +0.24*(PM25_SO4[0]+PM25_NH4[0]-PM25_NH4_loss[0])+0.5\n" }, { "path": "CCTM/src/MECHS/cracmm1amore_aq/SpecDef_Dep_cracmm1amore_aq.txt", "content": "!#start YYYYJJJ\n!#end YYYYJJJ\n#layer 1\n\n/ File [1]: DRYDEP\n/ File [2]: WETDEP\n/ File [3]: METCRO2D\n/\n/new species ,units ,expression\n\nRT ,cm ,RC[3]>=0 ? RN[3]+RC[3] : RN[3]\n\n!---------------------------------------------------!\n!--------------- Gas Deposition --------------------!\n!---------------------------------------------------!\nDDEP_NO2 ,kg ha-1 ,NO2[1]\nWDEP_NO2 ,kg ha-1 ,NO2[2]\nDDEP_NO ,kg ha-1 ,NO[1]\nWDEP_NO ,kg ha-1 ,NO[2]\nDDEP_FORM ,kg ha-1 ,HCHO[1], formaldehyde is HCHO RACM2\nWDEP_FORM ,kg ha-1 ,HCHO[2], formaldehyde is HCHO RACM2\nDDEP_H2O2 ,kg ha-1 ,H2O2[1]\nWDEP_H2O2 ,kg ha-1 ,H2O2[2]\nDDEP_N2O5 ,kg ha-1 ,N2O5[1]\nWDEP_N2O5 ,kg ha-1 ,N2O5[2]\nDDEP_HONO ,kg ha-1 ,HONO[1]\nWDEP_HONO ,kg ha-1 ,HONO[2]\nDDEP_HNO3 ,kg ha-1 ,HNO3[1]\nWDEP_HNO3 ,kg ha-1 ,HNO3[2]\nDDEP_NO3 ,kg ha-1 ,NO3[1]\nWDEP_NO3 ,kg ha-1 ,NO3[2]\nDDEP_NTR ,kg ha-1 ,ONIT[1]+ISON[1]+TRPN[1]+NALD[1]+IPN[1]+IPC[1]\nWDEP_NTR ,kg ha-1 ,ONIT[2]+ISON[2]+TRPN[2]+NALD[2]+IPN[2]+IPC[2]\nDDEP_PANT ,kg ha-1 ,PAN[1]+PPN[1]+MPAN[1]\nWDEP_PANT ,kg ha-1 ,PAN[2]+PPN[2]+MPAN[2]\nDDEP_NH3 ,kg ha-1 ,NH3[1]\nWDEP_NH3 ,kg ha-1 ,NH3[2]\nDDEP_SO2 ,kg ha-1 ,SO2[1]\nDDEP_O3 ,kg ha-1 ,O3[1]\nWDEP_O3 ,kg ha-1 ,O3[2]\nDDEP_PNA ,kg ha-1 ,HNO4[1], PeroxyNitric Acid\nWDEP_PNA ,kg ha-1 ,HNO4[2], PeroxyNitric Acid\n\n!---------------------------------------------------!\n!------------- Aerosol Deposition ------------------!\n!---------------------------------------------------!\nDDEP_ANO3IJ ,kg ha-1 ,ANO3I[1] + ANO3J[1]\nDDEP_ANO3K ,kg ha-1 ,ANO3K[1]\nWDEP_ANO3IJK ,kg ha-1 ,ANO3I[2] + ANO3J[2] + ANO3K[2]\nDDEP_TNO3 ,kg ha-1 ,ANO3I[1] + ANO3J[1] + ANO3K[1] + 0.984*HNO3[1]\nWDEP_TNO3 ,kg ha-1 ,ANO3I[2] + ANO3J[2] + ANO3K[2] + 0.984*HNO3[2]\nDDEP_ANH4IJ ,kg ha-1 ,ANH4I[1] + ANH4J[1]\nDDEP_ANH4K ,kg ha-1 ,ANH4K[1]\nWDEP_ANH4IJK ,kg ha-1 ,ANH4I[2] + ANH4J[2] + ANH4K[2]\nDDEP_ASO4IJ ,kg ha-1 ,ASO4I[1] + ASO4J[1]\nDDEP_ASO4K ,kg ha-1 ,ASO4K[1]\nWDEP_ASO4IJK ,kg ha-1 ,ASO4I[2] + ASO4J[2] + ASO4K[2]\nDDEP_AECIJ\t ,kg ha-1 ,AECI[1] +AECJ[1]\n\n!DDEP_SSSO4J ,kg ha-1 ,0.2514*ANAJ[1]\n!DDEP_SSSO4K ,kg ha-1 ,0.2514*DDEP_ANAK[0]\n!WDEP_SSSO4JK ,kg ha-1 ,0.2514*ANAJ[2] + 0.2514*WDEP_ANAK[0]\n\n\n!-----------------------------------------------------!\n!-------- Total (Gas + Aerosol) Deposition -----------!\n!-----------------------------------------------------!\nDDEP_NHX ,kg ha-1 ,ANH4I[1] + ANH4J[1] + ANH4K[1] + 1.059*NH3[1]\nWDEP_NHX ,kg ha-1 ,ANH4I[2] + ANH4J[2] + ANH4K[2] + 1.059*NH3[2]\nWDEP_TSO4 ,kg ha-1 ,ASO4I[2] + ASO4J[2] + ASO4K[2] + 1.5*SO2[2]\n\n!! Sodium\nDDEP_ANAJ ,kg ha-1 ,ANAJ[1]\nDDEP_ANAK ,kg ha-1 ,0.8373*ASEACAT[1]+0.0626*ASOIL[1]+0.0023*ACORS[1]\nDDEP_ANAJK ,kg ha-1 ,DDEP_ANAJ[0] + DDEP_ANAK[0]\nWDEP_ANAK ,kg ha-1 ,0.8373*ASEACAT[2]+0.0626*ASOIL[2]+0.0023*ACORS[2]\nWDEP_ANAJK ,kg ha-1 ,ANAJ[2] + WDEP_ANAK[0]\nTDEP_ANAJK ,kg ha-1 ,DDEP_ANAJK[0] + WDEP_ANAJK[0]\n\n!! Chloride\nDDEP_ACLJ ,kg ha-1 ,ACLJ[1]\nDDEP_ACLK ,kg ha-1 ,ACLK[1]\nDDEP_ACLJK ,kg ha-1 ,ACLJ[1] + ACLK[1]\nWDEP_TCL ,kg ha-1 ,0.972*HCL[2]+ ACLJ[2] + ACLK[2]\nTDEP_CL ,kg ha-1 ,DDEP_ACLJK[0] + WDEP_TCL[0]\n\n!! Calcium\nDDEP_CAJ\t ,kg ha-1 ,ACAJ[1]\nWDEP_CAJ\t ,kg ha-1 ,ACAJ[2]\nDDEP_CAK ,kg ha-1 ,0.0320*ASEACAT[1]+0.0838*ASOIL[1]+0.0562*ACORS[1]\nWDEP_CAK ,kg ha-1 ,0.0320*ASEACAT[2]+0.0838*ASOIL[2]+0.0562*ACORS[2]\nDDEP_CAJK\t ,kg ha-1 ,ACAJ[1]+DDEP_CAK[0]\nWDEP_CAJK\t ,kg ha-1 ,ACAJ[2]+WDEP_CAK[0]\n\n!! Iron\nDDEP_FEJ\t ,kg ha-1 ,AFEJ[1]\nWDEP_FEJ\t ,kg ha-1 ,AFEJ[2]\n\n!! Aluminum\nDDEP_ALJ\t ,kg ha-1 ,AALJ[1]\nWDEP_ALJ ,kg ha-1 ,AALJ[2]\n\n!! Silicon\nDDEP_SIJ ,kg ha-1 ,ASIJ[1]\nWDEP_SIJ ,kg ha-1 ,ASIJ[2]\n\n!! Titanium\nDDEP_TIJ ,kg ha-1 ,ATIJ[1]\nWDEP_TIJ ,kg ha-1 ,ATIJ[2]\n\n!! Magnesium\nDDEP_MGJ ,kg ha-1 ,AMGJ[1]\nWDEP_MGJ ,kg ha-1 ,AMGJ[2]\nDDEP_MGK ,kg ha-1 ,0.0997*ASEACAT[1]+0.0170*ASOIL[1]+0.0032*ACORS[1]\nWDEP_MGK ,kg ha-1 ,0.0997*ASEACAT[2]+0.0170*ASOIL[2]+0.0032*ACORS[2]\nDDEP_MGJK ,kg ha-1 ,AMGJ[1]+DDEP_MGK[0]\nWDEP_MGJK ,kg ha-1 ,AMGJ[2]+WDEP_MGK[0]\n\n!! Potassium\nDDEP_KJ ,kg ha-1 ,AKJ[1]\nWDEP_KJ ,kg ha-1 ,AKJ[2]\nDDEP_KK ,kg ha-1 ,0.0310*ASEACAT[1]+0.0242*ASOIL[1]+0.0176*ACORS[1]\nWDEP_KK ,kg ha-1 ,0.0310*ASEACAT[2]+0.0242*ASOIL[2]+0.0176*ACORS[2]\nDDEP_KJK ,kg ha-1 ,AKJ[1]+DDEP_KK[0]\nWDEP_KJK ,kg ha-1 ,AKJ[2]+WDEP_KK[0]\n\n!! Manganese\nDDEP_MNJ ,kg ha-1 ,AMNJ[1]\nWDEP_MNJ ,kg ha-1 ,AMNJ[2]\n\n\n!---------------------------------------------------!\n!------------- Nitrogen Deposition -----------------!\n!---------------------------------------------------!\nDD_OXN_NOX ,kgN ha-1 ,0.30435*NO2[1] + 0.46667*NO[1]\nWD_OXN_NOX ,kgN ha-1 ,0.30435*NO2[2] + 0.46667*NO[2]\nDD_OXN_TNO3 ,kgN ha-1 ,0.22581*DDEP_TNO3[0]\nWD_OXN_TNO3 ,kgN ha-1 ,0.22581*WDEP_TNO3[0]\nDD_OXN_PANT ,kgN ha-1 ,0.11570*PAN[1] + 0.11570*PPN[1] + 0.11570*MPAN[1]\nWD_OXN_PANT ,kgN ha-1 ,0.11570*PAN[2] + 0.11570*PPN[2] + 0.11570*MPAN[2]\nDD_OXN_ORGN ,kgN ha-1 ,0.10770*(ONIT[1]+ISON[1]+TRPN[1]+NALD[1]+IPN[1]+IPC[1]) + DD_OXN_PANT[0]\nWD_OXN_ORGN ,kgN ha-1 ,0.10770*(ONIT[2]+ISON[2]+TRPN[2]+NALD[2]+IPN[2]+IPC[2]) + WD_OXN_PANT[0]\nDD_OXN_OTHR ,kgN ha-1 ,0.25926*N2O5[1] + 0.29787*HONO[1] + 0.17720*HNO4[2]\nWD_OXN_OTHR ,kgN ha-1 ,0.25926*N2O5[2] + 0.29787*HONO[2] + 0.17720*HNO4[2]\nDD_OXN_TOT ,kgN ha-1 ,DD_OXN_NOX[0] + DD_OXN_TNO3[0] + DD_OXN_ORGN[0] + DD_OXN_OTHR[0]\nWD_OXN_TOT ,kgN ha-1 ,WD_OXN_NOX[0] + WD_OXN_TNO3[0] + WD_OXN_ORGN[0] + WD_OXN_OTHR[0]\n\nTD_OXN_TOT ,kgN ha-1 ,DD_OXN_TOT[0] + WD_OXN_TOT[0]\nDD_REDN_TOT ,kgN ha-1 ,0.7777*DDEP_NHX[0]\nWD_REDN_TOT ,kgN ha-1 ,0.7777*WDEP_NHX[0]\nTD_REDN_TOT ,kgN ha-1 ,DD_REDN_TOT[0] + WD_REDN_TOT[0]\n\nDD_N_TOT ,kgN ha-1 ,DD_OXN_TOT[0] + DD_REDN_TOT[0]\nWD_N_TOT ,kgN ha-1 ,WD_OXN_TOT[0] + WD_REDN_TOT[0]\nTD_N_TOT ,kgN ha-1 ,DD_N_TOT[0] + WD_N_TOT[0]\n\n!! Nitrogen Deposition in milliequivalents Nitrogen\n!DD_OXN_TOTMEQ ,meqN m-2 ,7.14*DD_OXN_TOT[0]\n!WD_OXN_TOTMEQ ,meqN m-2 ,7.14*WD_OXN_TOT[0]\n!TD_OXN_TOTMEQ ,meqN m-2 ,DD_OXN_TOTMEQ[0] + WD_OXN_TOTMEQ[0]\n!DD_REDN_TOTMEQ ,meqN m-2 ,7.14*DD_REDN_TOT[0]\n!WD_REDN_TOTMEQ ,meqN m-2 ,7.14*WD_REDN_TOT[0]\n!TD_REDN_TOTMEQ ,meqN m-2 ,DD_REDN_TOTMEQ[0] + WD_REDN_TOTMEQ[0]\n!DD_N_TOTMEQ ,meqN m-2 ,DD_OXN_TOTMEQ[0] + DD_REDN_TOTMEQ[0]\n!WD_N_TOTMEQ ,meqN m-2 ,WD_OXN_TOTMEQ[0] + WD_REDN_TOTMEQ[0]\n!TD_N_TOTMEQ ,meqN m-2 ,DD_N_TOTMEQ[0] + WD_N_TOTMEQ[0]\n\n!-------------------------------------------------!\n!------------- Sulfur Deposition -----------------!\n!-------------------------------------------------!\nDD_S_TOT ,kgS ha-1 ,0.5*SO2[1] + 0.33333*ASO4I[1] + 0.33333*ASO4J[1] + 0.33333*ASO4K[1]\nWD_S_TOT ,kgS ha-1 ,0.33333*WDEP_TSO4[0]\nTD_S_TOT ,kgS ha-1 ,DD_S_TOT[0] + WD_S_TOT[0]\n!DD_S_SeaS ,kgS ha-1 ,0.33333*DDEP_SSSO4J[0] + 0.33333*DDEP_SSSO4K[0]\n!WD_S_SeaS ,kgS ha-1 ,0.33333*WDEP_SSSO4JK[0]\n!TD_S_SeaS ,kgS ha-1 ,DD_S_SeaS[0] + WD_S_SeaS[0]\n\n!! Sulfur Deposition in milliequivalents Sulfur\n!DD_S_TOTMEQ ,meqS m-2 ,6.24*DD_S_TOT[0]\n!WD_S_TOTMEQ ,meqS m-2 ,6.24*WD_S_TOT[0]\n!TD_S_TOTMEQ ,meqS m-2 ,DD_S_TOTMEQ[0] + WD_S_TOTMEQ[0]\n!DD_S_SeaSMEQ ,meqS m-2 ,6.24*DD_S_SeaS[0]\n!WD_S_SeaSMEQ ,meqS m-2 ,6.24*WD_S_SeaS[0]\n!TD_S_SeaSMEQ ,meqS m-2 ,DD_S_SeaSMEQ[0] + WD_S_SeaSMEQ[0]\n" }, { "path": "CCTM/src/MECHS/cracmm1amore_aq/SpecDef_cracmm1amore_aq.txt", "content": "!#start YYYYJJJ 010000\n!#end YYYYJJJ 000000\n#layer 1\n\n/\n! This Species Definition File is for Use with the COMBINE tool built for \n! post-processing CMAQ output. It is compatible with CMAQv5.2.\n! Date: May 12 2017\n\n! Output variables that begin with 'PM' represent those in which a size cut was \n! applied based on modeled aerosol mode parameters. For example, PM25_NA is all \n! sodium that falls below 2.5 um diameter. These 'PM' variables are used for \n! comparisons at IMPROVE and CSN sites.\n\n! Output variables that begin with 'PMAMS' represent the mass that would have\n! been detected by an Aerosol Mass Spectrometer.\n\n! Output variables beginning with 'A' (aside from AIR_DENS) represent a \n! combination of aerosol species in which no size cut was applied. For example, \n! ASO4IJ is the sum of i-mode and j-mode sulfate. These 'A' variables are used \n! for comparisons at CASTNet sites.\n\n! Output variables beginning with 'PMC' refer to the coarse fraction of total PM,\n! computed by summing all modes and subtracting the PM2.5 fraction. These 'PMC'\n! variables are used for comparisons at SEARCH sites.\n\n! This Species Definition File is just for use with the uncoupled, offline CMAQ,\n! model. If you are processing WRF-CMAQ results, a different Species Definition\n! file is required.\n\n/ File [1]: CMAQ conc/aconc file\n/ File [2]: METCRO3D file\n/ File [3]: PMDIAG/APMDIAG file\n/ File [4]: METCRO2D file\n/\n/new species ,units ,expression\n \n!-------------------------------------------!\n!------------- Meteorology -----------------!\n!-------------------------------------------!\nAIR_DENS ,kg m-3 ,DENS[2]\nRH ,% ,100.00*RH[3]\nSFC_TMP ,C ,(TEMP2[4]-273.15)\nPBLH ,m ,PBL[4]\nSOL_RAD ,W m-2 ,RGRND[4]\nprecip ,cm ,RC[4]>=0 ? RN[4]+RC[4] : RN[4]\nWSPD10 ,m s-1 ,WSPD10[4]\nWDIR10 ,deg ,WDIR10[4]\n\n!-------------------------------------------!\n!--------------- Gases ---------------------!\n!-------------------------------------------!\nCO ,ppbV ,1000.0*CO[1]\nH2O2 ,ppbV ,1000.0*H2O2[1]\nHNO3 ,ppbV ,1000.0*HNO3[1]\nHNO3_UGM3 ,ug m-3 ,1000.0*(HNO3[1]*2.1756*DENS[2]) \nHONO ,ppbV ,1000.0*HONO[1]\nHOX ,ppbV ,1000.0*(HO[1]+HO2[1])\nOH ,ppbV ,1000.0*HO[1]\nN2O5 ,ppbV ,1000.0*N2O5[1]\nNH3 ,ppbV ,1000.0*NH3[1]\nNH3_UGM3 ,ug m-3 ,1000.0*(NH3[1]*0.5880*DENS[2])\nNHX ,ug m-3 ,1000.0*(NH3[1]*0.5880*DENS[2])+ANH4I[1]+ANH4J[1]+ANH4K[1]\nNO ,ppbV ,1000.0*NO[1]\nNO2 ,ppbV ,1000.0*NO2[1]\nNOX ,ppbV ,1000.0*(NO[1] + NO2[1])\nANO3_PPB ,ppbV ,(ANO3I[1]+ANO3J[1]+ANO3K[1])/(DENS[2]*(62.0/28.97))\nNTR ,ppbV ,1000.0*(ONIT[1]+ISON[1]+NALD[1]+IPN[1]+IPC[1]+TRPN[1]), organic nitrates in RACM2\nPANS ,ppbV ,1000.0*(PAN[1]+PPN[1]+MPAN[1])\nNOY ,ppbV ,1000.0*(NO[1]+NO2[1]+NO3[1]+2*N2O5[1]+HONO[1] \\\n +HNO3[1]+HNO4[1]+PAN[1]+PPN[1]+MPAN[1] \\\n +ISON[1]+NALD[1]+IPN[1]+IPC[1]+TRPN[1]+ONIT[1])+ANO3_PPB[0]\nO3 ,ppbV ,1000.0*O3[1]\nSO2 ,ppbV ,1000.0*SO2[1]\nSO2_UGM3 ,ug m-3 ,1000.0*(SO2[1]*2.2118*DENS[2])\nTERP ,ppbV ,1000.0*(API[1]+LIM[1]), a-pinene and limonene monoterpenes in RACM2\n\n! Deprecate these names in future\nETH ,ppbV ,1000.0*ETE[1], ethene is ETE in RACM2\nETHA ,ppbV ,1000.0*ETH[1], ethane is ETH in RACM2\nALD2 ,ppbV ,1000.0*ACD[1], acetaldehyde is ACD in RACM2\nFORM ,ppbV ,1000.0*HCHO[1], formaldehyde is HCHO RACM2\nISOP ,ppbV ,1000.0*ISO[1], isoprene is ISO in RACM2\nTOL ,ppbV ,1000.0*TOL[1]\n\n! Hydrocarbons for evaluation. Note an \"s\" on the end indicates a collection of species from AQS\nACETALDEHYDE ,ppbV ,1000.0*ACD[1]\nACETYLENE ,ppbV ,1000.0*ACE[1]\nACROLEIN ,ppbV ,1000.0*ACRO[1]\nACETONE ,ppbV ,1000.0*ACT[1]\nBUTADIENE13 ,ppbV ,1000.0*BDE13[1]\nBENZENE ,ppbV ,1000.0*BEN[1]\nETHYLENE ,ppbV ,1000.0*ETE[1], ethene is ETE in RACM2\nETHANE ,ppbV ,1000.0*ETH[1], ethane is ETH in RACM2\nISOPRENE ,ppbV ,1000.0*ISO[1], isoprene is ISO in RACM2\nFORMALDEHYDE ,ppbV ,1000.0*HCHO[1], formaldehyde is HCHO RACM2\nMEKETONE ,ppbV ,1000.0*MEK[1]\nTOLUENE ,ppbV ,1000.0*TOL[1]\nXYLENES ,ppbV ,1000.0*(XYE[1]+XYM[1])\nHCPROPANES ,ppbV ,1000.0*(HC3[1])\nHCPENTANES ,ppbV ,1000.0*(HC5[1])\nHCDECANES ,ppbV ,1000.0*(HC10[1]), formerly HC8\nOLEFINS ,ppbV ,1000.0*(OLI[1]+OLT[1])\nABPINENES ,ppbV ,1000.0*(API[1])\n\n!! Unused Gases. Presented Here for illustration. Users can uncomment\n!! them if they choose.\nALDX ,ppbV ,1000.0*ALD[1], C3 and higher aldehydes is ALD in RACM2\n!NOZ ,ppbV ,NOY[0]-NOX[0]\n!SULF ,ppbV ,1000.0*SULF[1]\n! LSIVROC: L/S/IVOC alk and oxy gas species\nLSIVROC ,ppbC ,1000.0* (9.5*VROCIOXY[1] \\\n +14.0*VROCP5ARO[1]+13.0*VROCP6ARO[1] \\\n +30.0*VROCN2ALK[1]+29.0*VROCN1ALK[1] \\\n +28.0*VROCP0ALK[1]+27.0*VROCP1ALK[1] \\\n +24.0*VROCP2ALK[1]+21.0*VROCP3ALK[1] \\\n +18.0*VROCP4ALK[1]+14.0*VROCP5ALK[1] \\\n +13.0*VROCP6ALK[1]\\\n +17.0*VROCN2OXY2[1]+11.0*VROCN2OXY4[1] \\ \n +7.0*VROCN2OXY8[1]+20.0*VROCN1OXY1[1] \\ \n +12.0*VROCN1OXY3[1]+8.0*VROCN1OXY6[1] \\ \n +14.0*VROCP0OXY2[1]+10.0*VROCP0OXY4[1] \\ \n +17.0*VROCP1OXY1[1]+11.0*VROCP1OXY3[1] \\ \n +12.0*VROCP2OXY2[1]+11.0*VROCP3OXY2[1] \\ \n +9.0*VROCP4OXY2[1]+11.0*VROCP5OXY1[1] \\ \n +9.0*VROCP6OXY1[1] ), \n! VROC: Total gas-phase (vapor) reactive organic carbon (stable species only) \nVROC ,ppbC ,1000.0*(2.0*ACD[1]+2.0*ACE[1] \\\n +3.0*ACRO[1]+3.0*ACT[1]+3.0*ALD[1]+10*API[1] \\\n +7.0*BALD[1]+4.0*BDE13[1]+6.0*BEN[1] \\\n +9.0*CSL[1]+5.0*DCB1[1]+6.0*DCB2[1]+4.0*DCB3[1] \\\n +20.0*ELHOM[1] \\\n +2.0*EOH[1]+2.0*ETE[1]+2.0*ETEG[1]+2.0*ETH[1] \\\n +5.0*FURAN[1]+4.0*FURANONE[1]+2.0*GLY[1]+10.0*HOM[1] \\\n +3.0*HC3[1]+5.0*HC5[1]+10.0*HC10[1] \\\n +1.0*HCHO[1]+3.0*HKET[1] \\\n +5.0*IEPOX[1]+5.0*ISHP[1]\\\n +5.0*ISO[1]+5.0*KET[1] \\\n +10.0*LIM[1]+10.0*LIMAL[1]+4.0*MACR[1]+4*MAHP[1] \\\n +7.0*MCT[1] \\\n +4.0*MEK[1]+3.0*MGLY[1]+1.0*MOH[1]+4.0*MVK[1] \\\n +10.0*NAPH[1]+5.0*OLI[1]+3.0*OLT[1] \\\n +1.0*OP1[1]+2.0*OP2[1]+8.0*OP3[1]+10.0*OPB[1] \\\n +1.0*ORA1[1]+2.0*ORA2[1] \\\n +10.0*PINAL[1] \\\n +6.0*PHEN[1]+3.0*PROG[1] \\\n +3.0*ROH[1]+15.0*SESQ[1]+2.1*SLOWROC[1] \\\n +7.0*TOL[1]+5.0*UALD[1] \\\n +8.0*XYM[1]+8.0*XYE[1] \\\n +2.0*PAA[1]+2.0*PAN[1]+3.0*PPN[1]+4.0*MPAN[1] \\ \n +4.0*ONIT[1]+5.0*ISON[1] \\\n +5.0*NALD[1]+5.0*IPN[1]+5.0*IPC[1]+10.0*TRPN[1] ) \\ \n +LSIVROC[0] ,\n!-------------------------------------------!\n!--------------- Particles -----------------!\n!-------------------------------------------!\n!! Crustal Elements\nAFEJ ,ug m-3 ,PMF_FE[3]\nAALJ ,ug m-3 ,PMF_AL[3]\nASIJ ,ug m-3 ,PMF_SI[3]\nATIJ ,ug m-3 ,PMF_TI[3]\nACAJ ,ug m-3 ,PMF_CA[3]\nAMGJ ,ug m-3 ,PMF_MG[3]\nAKJ ,ug m-3 ,PMF_K[3]\nAMNJ ,ug m-3 ,PMF_MN[3]\nASOILJ ,ug m-3 ,PMF_SOILIMPV[3]\n\n!! Non-Crustal Inorganic Particle Species\nAHPLUSIJ ,ug m-3 ,PMF_HP[3]\nANAK ,ug m-3 ,PMC_NA[3]\nAMGK ,ug m-3 ,PMC_MG[3]\nAKK ,ug m-3 ,PMC_K[3]\nACAK ,ug m-3 ,PMC_CA[3]\nACLIJ ,ug m-3 ,PMF_CL[3]\nAECIJ ,ug m-3 ,PMF_EC[3]\nANAIJ ,ug m-3 ,PMF_NA[3]\nANO3IJ ,ug m-3 ,PMF_NO3[3]\nANO3K ,ug m-3 ,PMC_NO3[3]\nANH4IJ ,ug m-3 ,PMF_NH4[3]\nANH4K ,ug m-3 ,PMC_NH4[3]\nASO4IJ ,ug m-3 ,PMF_SO4[3]\nASO4K ,ug m-3 ,PMC_SO4[3]\n\n!! Organic Particle Species\nAPOCIJ ,ugC m-3 ,PMF_POC[3]\nAPOMIJ ,ug m-3 ,PMF_POA[3]\nASOCIJ ,ugC m-3 ,PMF_SOC[3]\nASOMIJ ,ug m-3 ,PMF_SOA[3]\nAOCIJ ,ugC m-3 ,PMF_OC[3]\nAOMIJ ,ug m-3 ,PMF_OA[3]\n\n!!! Anthropogenic-VOC Derived Organic Aerosol\nAORGAIJ ,ug m-3 ,PMF_ASOA[3]\n\n!!! Biogenic-VOC Derived Organic Aerosol\nAORGBIJ ,ug m-3 ,PMF_BSOA[3]\n\n!!! Cloud-Processed SOA\nAORGCJ ,ug m-3 ,AORGCJ[1]\n\n!!! OM/OC ratios\nAOMOCRAT_TOT , ,PMF_OMOC[3]\n\n!! Total PM Aggregates\nATOTI ,ug m-3 ,PMAIT_MASS[3]\nATOTJ ,ug m-3 ,PMACC_MASS[3]\nATOTK ,ug m-3 ,PMC_MASS[3]\nATOTIJ ,ug m-3 ,PMF_MASS[3]\nATOTIJK ,ug m-3 ,PM_MASS[3]\n\n!! Unspeciated PM including non-carbon organic mass\nAUNSPEC1IJ ,ug m-3 ,PMF_UN_IMPV1[3] \n!! Non-Carbon Organic Mass\nANCOMIJ ,ug m-3 ,PMF_NCOM[3]\n\n!! Unspeciated PM excluding non-carbon organic mass\nAUNSPEC2IJ ,ug m-3 ,PMF_UN_IMPV2[3]\n\n!! AMS Projection of Output Concentrations\nPMAMS_CL ,ug m-3 ,PMAMS_CL[3]\nPMAMS_NH4 ,ug m-3 ,PMAMS_NH4[3]\nPMAMS_NO3 ,ug m-3 ,PMAMS_NO3[3]\nPMAMS_OA ,ug m-3 ,PMAMS_OA[3]\nPMAMS_SO4 ,ug m-3 ,PMAMS_SO4[3]\n\n!! PM1 Cutoff Output\nPM1_TOT ,ug m-3 ,PM1[3]\n\n!! Unused PM1 Species. Included Here for demonstration\n!PM1_EC ,ug m-3 ,PM1_EC[3]\n!PM1_OC ,ugC m-3 ,PM1_OC[3]\n!PM1_OM ,ug m-3 ,PM1_OA[3]\n!PM1_SO4 ,ug m-3 ,PM1_SO4[3]\n!PM1_CL ,ug m-3 ,PM1_CL[3]\n!PM1_NA ,ug m-3 ,PM1_NA[3]\n!PM1_MG ,ug m-3 ,PM1_MG[3]\n!PM1_K ,ug m-3 ,PM1_K[3]\n!PM1_CA ,ug m-3 ,PM1_CA[3]\n!PM1_NH4 ,ug m-3 ,PM1_NH4[3]\n!PM1_NO3 ,ug m-3 ,PM1_NO3[3]\n!PM1_SOIL ,ug m-3 ,PM1_SOIL[3]\n!PM1_UNSPEC1 ,ug m-3 ,PM1_UNSP1[3]\n!PM1_UNSPCRS ,ug m-3 ,PM1_UNSPCRS[3]\n\n!! PM2.5 species computed using modeled size distribution\nPM25_HP ,ug m-3 ,PM25_HP[3]\nPM25_CL ,ug m-3 ,PM25_CL[3] \nPM25_EC ,ug m-3 ,PM25_EC[3] \nPM25_NA ,ug m-3 ,PM25_NA[3] \nPM25_MG ,ug m-3 ,PM25_MG[3] \nPM25_K ,ug m-3 ,PM25_K[3] \nPM25_CA ,ug m-3 ,PM25_CA[3] \nPM25_NH4 ,ug m-3 ,PM25_NH4[3] \nPM25_NO3 ,ug m-3 ,PM25_NO3[3] \nPM25_OC ,ugC m-3 ,PM25_OC[3] \nPM25_OM ,ug m-3 ,PM25_OA[3] \nPM25_SOIL ,ug m-3 ,PM25_SOIL[3] \nPM25_SO4 ,ug m-3 ,PM25_SO4[3] \nPM25_TOT ,ug m-3 ,PM25[3] \nPM25_UNSPEC1 ,ug m-3 ,PM25_UNSP1[3] \nPM25_UNSPCRS ,ug m-3 ,PM25_UNSPCRS[3] \n \n\n!! PM10.0 and Coarse-Sized Species\nPM10 ,ug m-3 ,PM10[3]\n \nPMC_CL ,ug m-3 ,PM25TO10_CL[3]\nPMC_NA ,ug m-3 ,PM25TO10_NA[3]\nPMC_NH4 ,ug m-3 ,PM25TO10_NH4[3] \nPMC_NO3 ,ug m-3 ,PM25TO10_NO3[3] \nPMC_SO4 ,ug m-3 ,PM25TO10_SO4[3] \nPMC_TOT ,ug m-3 ,PM25TO10[3] \n \n!! FRM PM Equivalent Calculation\nPMIJ_FRM ,ug m-3 ,PMF_FRM[3]\nPM25_FRM ,ug m-3 ,PM25_FRM[3]\n" }, { "path": "CCTM/src/MECHS/cracmm1amore_aq/mech_cracmm1amore_aq.def", "content": "!! CRACMM version 1.0 mechanism developed 2021 by USEPA\n!! CRACMM builds upon RACM2 and RACM\n!! **********************************************************************\n!! FILE: RACM2.5M4.mch - update MACR scheme with geos-chem\n!! DATE: Sept 4, 2012 - update MVK + O3 rxn\n!! VERSION: Final Frozen Version - all updates from reviewers\n!! ID: RACM Version 2.5M1 - updates from IUPAC JAN 2008\n!! LAST UPDATE: Sept 4, 2012\n!! --------------------------------------------------------------------\n!! Based on REGIONAL ATMOSPHERIC CHEMISTRY MECHANISM (RACM) Version 1.3\n!! Reference: W.R. Stockwell, F. Kirchner, M. Kuhn, and S. Seefeld, \"A \n!! New Mechanism for Regional Atmospheric Chemistry Modeling\", J. of\n!! Geophys. Res., 1997.\n!! --------------------------------------------------------------------\n!! FOR MORE INFORMATION REGARDING THIS MECHANISM CONTACT:\n!! Wendy S. Goliff \n!! CE-CERT\n!! UC Riverside\n!! 1084 Columbia Ave\n!! Riverside, CA 92507\n!! E-MAIL: wendyg@cert.ucr.edu\n!! Telephone: (951) 781-5665\n!! FAX: \n!! OR\n!! William R. Stockwell\n!! Department of Chemistry, Room 120\n!! Howard University\n!! 525 College Street, NW\n!! Washington DC 20059\n!! E-MAIL: William.R.Stockwell@gmail.com\n!! Telephone: (202) 806-6913\n!! FAX: (202) 806-5442 \n! **********************************************************************\n! The RACM2 mechanism is based upon the earlier Regional Atmospheric\n! Chemistry Mechanism (RACM) mechanism. It is intended to be valid for \n! conditions ranging from remote to polluted and from the Earth's\n! surface through the upper troposphere. The RACM2 mechanism includes\n! 356 reactions and 117 total species: 17 stable inorganic species, 4 \n! inorganic intermediates, 54 stable organic species (4 of these are\n! primarily of biogenic origin) and 42 organic intermediates.\n! **********************************************************************\n! **********************************************************************\n! Reformatted by Golam Sarwar in September 2012 for making it compatible with CMAQ \n! Following species have been removed from the product list since these are used as constants in CMAQ - CH4, H2, O2\n! Following species have been removed from the product list since these are used as input to CMAQ - H2O\n! Following species have been removed from the product list since CMAQ does not track these species - CO2 \n!\n!\n! Modified for incorporating secondary sulfate and SOA mechanism\n! Added SULRXN - counter species for aerosol from SO2 + OH reaction \n! Added ISOPRXN - counter species for aerosol from ISO + OH reaction \n! Added TRPRXN - counter species for aerosol from API and LIM \n! Added TOLRO2, XYLRO2, BENZRO2 - first generation products from TOL, XYL and BEN that further react with NO and NO2 to produce SVOC\n! Added two reactions for TOLRO2, added TOLNRXN, TOLHRXN - counter species for aerosol from TOL\n! Added two reactions for XYLRO2, added XYLNRXN, XYLHRXN - counter species for aerosol from XYL and XYO\n! Added two reactions for BENZRO2 added BNZNRXN, BNZHRXN - counter species for aerosol from BEN\n! Added three reactions for SESQ from sesquiterpene, added SESQRXN - counter species for aerosol from SESQ\n! BEN is changed to BENZENE since SOA module is expecting BENZENE, not BEN\n! ADDED ALK5 FOR SOA PRODUCTION from HC8\n!\n! Rate constant for R051 has a special expression \n!\n! Revised the rate constant of R65 based on IUPAC2010\n!\n! Wendy Goliff corrected type errors in R110 and R111\n!\n! B.Hutzell 07/10/14\n! added inorganic heterogeneous reactions for N2O5 and NO2, oligomerization reactions for\n! SOA species and aging reactions for primary organic carbon and non-carbon aerosol species\n! B.Hutzell 11/3/14\n! -changed ALK5RXN yield in reaction from 1.0 to 0.47 based on SOA updates\n! suggested by H. Pye's for cb05e51_ae6_aq\n! -Modified by splitting oligomerization into two reactions: one for each\n! Alkene SOA species. The new species were introduced in cb05e51_ae6_aq\n! Golam Sarwar 12/02/14\n! -Added a simple halogen chemistry over sea-water\n! Golam Sarwar 6/25/15\n! -Revised the simple halogen chemistry over sea-water using results of two-way CMAQ model and detailed halogen chemistry\n! Golam Sarwar 6/29/15\n! - Updated SOA formation; see CB05 changes done by Havala Pye for details \n! - Added ISOPRXN counter to ISO + NO3 reaction to add SOA formation \n! - Added SOAALK + OH reaction for SOA production and removed ALK5RXN from R075 \n! - Added Naphthalene reaction for SOA \n! - Added heterogeneous uptake of IEPOX on acidic aerosol \n! - Yield of XYLRO2 in R083 is reduced to 0.98 to prevent double counting of SOA production from XYM since naphthalene is also included in XYM\n! - 0.98 is the emission ratio of (XYM-NAPTH)/XYM for July 2011\n! 05-25-17 B. Hutzell\n! 1. updated the oligomerization reactions to be consistent with the \n! saprc07tic_ae6_aq mechanism.\n! 03-04-21 G. Sarwar\n! updated \n!------------------------------------------------------------------------------ \n! CRACMMv1.0 modifications\n! - XYO and XYP combined and replaced with XYE (R084c). Retains products of XYO \n! (same as XYP) but decreases kOH to surrogate (ethylbenzene) value. \n! Major contributors ethylbenzene and o-xylene.\n! - renamed BENZENE to BEN for greater consistency in name length\n! - added HAP placeholder chemistry for BDE13, ACRO. NAPH already present.\n! - added PROG based on Coggon et al. PNAS 2021 and \n! MCM http://mcm.york.ac.uk/browse.htt?species=PROPGLY\n! - Photolysis updates added per B. Hutzell\n! - FURAN chemistry added based on Wang et al. JGR 2021, Schwantes, Coggon\n! - SESQ chemistry added based on MCM per H. Pye\n! - Phenolic (PHEN, CSL) SOA added per H. Pye\n! - Monoterpene nitrates added per B. Place\n! - ACRO, BDE13 chemistry added per E. D'Ambro\n! - Oxygenated ROC (ROCOXY) chemistry added per B. Murphy\n! - Alkane ROC (ROCALK) chemistry added per K. Seltzer\n! - HC8 replaced with HC10 following ROCALK template by H. Pye\n! - Aromatic chemistry (ROCARO, NAPH, BTX) added per H. Pye\n! - AMORE isoprene condensation from Woods Wiser and Faye McNeill implemented by B. Place\n!------------------------------------------------------------------------------ \n! 10-18-21 G. Sarwar\n! updated rate constants for inorganic reactions and three organic reactions (R70-R71)\n! added one photolysis reaction (R014a), updated reaction products for R016 and R017\n! updated photolysis rate coefficients for CH3COCH3, MEK, KET, ALD, HCHO\n!------------------------------------------------------------------------------ \nCRACMM1AMORE_AQ\n\nELIMINATE =\nXN;\nXC;\nCO2;\nEND ELIMINATE\n\nREACTIONS[CM] =\n\n O3 = O3P # 1.0/;\n O3 = O1D # 1.0/;\n H2O2 = 2.0*HO # 1.0/;\n NO2 = O3P + NO # 1.0/;\n NO3 = NO # 1.0/;\n NO3 = O3P + NO2 # 1.0/;\n HONO = HO + NO # 1.0/;\n HNO3 = HO + NO2 # 1.0/;\n HNO4 = 0.20*HO + 0.80*HO2\n + 0.80*NO2\n + 0.20*NO3 # 1.0/;\n HCHO = CO # 1.0/;\n HCHO = HO2 + HO2 \n + CO # 1.0/;\n ACD = HO2 + MO2 \n + CO # 1.0/;\n ALD = HO2 + ETHP \n + CO # 1.0/;\n ACT = MO2 + ACO3 # 1.0/;\n ACT = 2.0*MO2 + CO # 1.0/;\n UALD = 1.22*HO2 + 0.784*ACO3\n + 1.22*CO\n + 0.35*HCHO\n + 0.434*ALD\n + 0.216*KET # 1.0/;\n PINAL = HO2 + HC10P\n + CO # 1.0/;\n LIMAL = HO2 + HC10P\n + CO # 1.0/;\n MEK = 0.10*MO2 + ETHP\n + 0.9*ACO3\n + 0.1*CO # 1.0/;\n KET = 1.5*ETHP + 0.5*ACO3 \n + 0.5*CO # 1.0/;\n HKET = HO2 + ACO3 \n + HCHO # 1.0/; \n \n MACR = 0.34*HO + 0.66*HO2\n + 0.67*ACO3\n + 0.33*MACP\n + 0.34*XO2\n + 0.67*CO\n + 0.67*HCHO # 1.0/;\n MVK = 0.3*MO2 + 0.3*MACP\n + 0.7*CO\n + 0.7*UALD # 1.0/;\n GLY = 2*CO # 1.0/;\n GLY = HCHO + CO # 1.0/;\n GLY = 2*HO2 + 2*CO # 1.0/;\n MGLY = HO2 + ACO3 \n + CO # 1.0/;\n DCB1 = 1.5*HO2 + 0.25*ACO3\n + 0.2*XO2\n + CO\n + 0.5*GLY\n + 0.5*MGLY # 1.0/;\n DCB2 = 1.5*HO2 + 0.25*ACO3\n + 0.2*XO2\n + CO\n + 0.5*GLY\n + 0.5*MGLY # 1.0/;\n BALD = CHO + HO2\n + CO # 1.0/;\n OP1 = HO + HO2\n + HCHO # 1.0/;\n OP2 = HO + HO2\n + ALD # 1.0/;\n OPB = HO + HO2\n + ALD # 1.0/;\n OP3 = HO + HO2\n + ALD # 1.0/;\n PAA = HO + MO2 # 1.0/;\n ONIT = HO2 + NO2\n + 0.20*ALD \n + 0.80*KET # 1.0/;\n PAN = ACO3 + NO2 # 1.0/;\n PAN = MO2 + NO3 # 1.0/;\n O3 + HO = HO2 # 1.7E-12 @ 940.;\n O3 + HO2 = HO # 1.0E-14 @ 490.;\n O3 + NO = NO2 # 3.0E-12 @ 1500.;\n O3 + NO2 = NO3 # 1.2E-13 @ 2450.;\n O3P + O2 + M = O3 # 6.10E-34 ^ -2.4; \n O3P + O3 = # 8.0E-12 @ 2060.;\n O1D + O2 = O3P # 3.3E-11 @ -55.;\n O1D + N2 = O3P # 2.15E-11 @ -110.;\n O1D + H2O = 2.0*HO # 1.63E-10 @ -60.0;\n H2 + HO = HO2 # 2.80E-12 @ 1800.;\n HO + HO2 = # 4.8E-11 @ -250.;\n HO2 + HO2 = H2O2 %3 # 3.0E-13 @ -460. & \n 2.1E-33 @ -920.; \n HO2 + HO2 + H2O = H2O2 %3 # 4.20E-34 @ -2660. &\n 2.94E-54 @ -3120.; \n H2O2 + HO = HO2 # 1.8E-12 @ 0.;\n NO + O3P = NO2 # 9.1E-32 ^ -1.5 &\n 3.0E-11 ^ 0.0 ;\n NO + HO = HONO # 7.1E-31 ^ -2.6 &\n 3.6E-11 ^ -0.1;\n NO + HO2 = NO2 + HO # 3.44E-12 @ -260.;\n NO + HO2 = HNO3 %3 # 6.095e-14^-1.0@-270.0& \n 6.857e-34^1.0@-270.0&\n -5.968e-14@-270.0;\n NO + NO + O2 = 2.0*NO2 # 4.25E-39 @ -663.5;\n HONO + HO = NO2 # 3.0E-12 @ -250.; \n NO2 + O3P = NO # 5.3E-12 @ -200.;\n NO2 + O3P = NO3 # 3.4E-31 ^ -1.6 &\n 2.3E-11 ^ -0.2;\n NO2 + HO = HNO3 # 1.80E-30 ^ -3.0 & \n 2.80E-11 ^ 0.0; \n HNO3 + HO = NO3 %2 # 2.4E-14 @ -460 & \n 2.7E-17 @ -2199 &\n 6.5E-34 @ -1335;\n NO3 + HO = HO2 + NO2 # 2.0E-11; \n NO3 + HO2 = 0.7*HO + 0.7*NO2\n + 0.3*HNO3 # 3.50E-12; \n NO3 + NO = 2.0*NO2 # 1.7E-11 @ -125.;\n NO3 + NO2 = NO + NO2 # 4.35E-14 @ 1335.;\n NO3 + NO3 = 2.0*NO2 # 8.5E-13 @ 2450.;\n NO3 + NO2 = N2O5 # 2.40E-30 ^ -3.0 & \n 1.6E-12 ^ +0.1;\n N2O5 = NO2 + NO3 # 5.80E-27 @ -10840.0\n *E;\n N2O5 + H2O = 2.0*HNO3 # 1.0E-22;\n NO2 + HO2 = HNO4 # 1.9E-31 ^ -3.4 &\n 4.0E-12 ^ -0.3;\n HNO4 = HO2 + NO2 # 2.10E-27 @ -10900.0\n *E;\n HNO4 + HO = NO2 # 4.50E-13 @ -610.;\n SO2 + HO = HO2 + SULF \n + SULRXN # 2.9E-31 ^ -4.1 &\n 1.7E-12 ^ +0.2;\n CO + HO = HO2 %3 # 1.44E-13 @ 0.0 & \n 2.74E-33 @ 0.0; \n CH4 + HO = MO2 # 2.45E-12 @ 1775.;\n ETH + HO = ETHP # 7.66E-12 @ 1020.;\n HC3 + HO = HC3P + 0.0000281*ASOATJ # 7.68E-12 @ 370.;\n HC5 + HO = HC5P + 0.00134*ASOATJ # 1.01E-11 @ 245.;\n ETE + HO = ETEP # 1.0E-28 ^ -4.5 &\n 8.8E-12 ^ -0.85;\n OLT + HO = OLTP # 5.72E-12 @ -500.;\n OLI + HO = OLIP # 1.33E-11 @ -500.;\n ACE + HO = 0.650*HO + 0.350*HO2\n + 0.350*CO\n + 0.650*GLY\n + 0.350*ORA1 # 5.5E-30 ^ 0.0 & \n 8.3E-13 ^ 2.0;\n! MCM-based chemistry for aromatics, RACM2 rates for BEN, TOL, XYM\n BEN + HO = 0.4700*BENP + 0.5300*PHEN \n + 0.5300*HO2 # 2.33E-12 @ 193.;\n TOL + HO = 0.8200*TOLP + 0.1800*CSL \n + 0.1800*HO2 # 1.81E-12 @ -354.;\n XYM + HO = 0.8300*XYMP + 0.1700*CSL\n + 0.1700*HO2 # 2.33E-11;\n XYE + HO = 0.8200*XYEP + 0.1800*CSL\n + 0.1800*HO2 #7.16E-12;\n!Isoprene AMORE mechanism\n ISO + O3 = 0.07*MACR + 0.189*MVK\n + 0.58*HCHO\n + 0.25*HO\n + 0.25*HO2\n + 0.58*HCHO\n + 0.08*MO2\n + 0.1*ACO3\n + 0.09*H2O2\n + 0.1*MACP\n + 0.461*MACR\n + 0.14*CO\n + 0.28*ORA1\n + 0.15*OLT # 1.58E-14 @ 2000;\n ISO + NO3 = INO2 + 0.3*HCHO \n + 0.3*NO2\n + 0.3*NALD # 2.95E-12 @ 450;\n ISO + HO = ISOP + 0.02*MO2 # 2.69E-11 @ -390;\n ISOP + HO2 = ISHP + 0.6*HO2\n + 0.15*HCHO # 4.5E-13 @ -1300;\n ISOP + NO = 0.14*ISON + 0.7*HCHO\n + 0.44*MVK\n + 0.88*HO2\n + 0.78*NO2\n + 0.28*MACR\n + 0.021*GLY # 2.7E-12 @ -350;\n ISHP + HO = ISOP # 4.6E-12 @ -200; \n INO2 + HO2 = IPN + HO # 3.14E-14 @ -580;\n INO2 + NO = 0.9*HCHO + 0.5*MGLY\n + 0.8*MVK\n + 0.5*NO2\n + 1*HO2\n + 0.2*NALD\n + 0.1*MO2 # 9.42E-16 @ -580;\n IPN + HO2 = 0.8*NO2 + 1.0*HO2\n + 0.4*HCHO\n + 0.05*GLY\n + 0.1*MGLY\n + 0.4*MACR\n + 0.94*MVK\n + 0.2*NALD\n + 0.1*MO2 # 3.4E-11 @ -390;\n ISON + HO = NALD + HO\n + 0.2*IEPOX # 2.4E-7 @ -580;\n ISHP + HO = 0.15*HCHO + 0.05*MGLY\n + 0.15*MACR\n + 0.02*GLY\n + 0.2*MVK\n + 0.4*NO2\n + 0.05*IPC\n + 0.58*IEPOX\n + 0.8*HO # 2.97E-11 @ -390;\n ISHP = 0.4*HCHO + 0.1*MGLY\n + 0.06*ACO3 # 1.0/;\n IPC + NO = 0.35*NO2 + 0.8*NO # 1.0E-10;\n NALD + HO = CO + 0.12*NO2 # 5E-11;\n NALD + NO3 = CO # 2.0E-14;\n ISON = HNO3 + ROH # 2.3E-5;\n API + HO = 0.975*APIP1 + 0.025*APIP2 # 1.21E-11 @ -440.;\n LIM + HO = 0.945*LIMP1 + 0.055*LIMP2 # 4.20E-11 @ -401.;\n PINAL + HO = 0.23*PINALP + 0.77*RCO3 # 5.20E-12 @ -600.;\n LIMAL + HO = 0.70*LIMALP + 0.30*RCO3 # 1.00E-10;\n HCHO + HO = HO2 + CO # 5.50E-12 @ -125.; \n ACD + HO = ACO3 # 4.70E-12 @ -345.; \n ALD + HO = RCO3 # 4.90E-12 @ -405.; \n ACT + HO = ACTP # 4.56E-14 ^ 3.65 @ 427;\n MEK + HO = MEKP # 1.5E-12 @ 90.;\n KET + HO = KETP # 2.8E-12 @ -10.; \n HKET + HO = HO2 + MGLY # 3.0E-12;\n MACR + HO = 0.57*MACP + 0.43*MCP # 8.00E-12 @ -380.;\n MVK + HO = MVKP # 2.60E-12 @ -610.;\n UALD + HO = 0.313*ACO3 + 0.687*UALP # 5.77E-12 @ -533.; \n GLY + HO = HO2 + 2.0*CO # 1.1E-11;\n MGLY + HO = ACO3 + CO # 9.26E-13 @ -830.;\n DCB1 + HO = 0.52*HO2 + 0.33*CO \n + 0.40*ALD\n + 0.78*KET \n + 0.10*GLY \n + 0.01*MGLY # 2.8E-11 @ -175.;\n DCB2 + HO = 0.52*HO2 + 0.33*CO \n + 0.13*MEK \n + 0.10*GLY \n + 0.01*MGLY \n + 0.78*OP2 # 2.8E-11 @ -175.;\n DCB3 + HO = 0.56*HO2 + 0.21*MACP \n + 0.11*CO \n + 0.27*GLY \n + 0.01*MGLY \n + 0.79*OP2 # 1.00E-11;\n BALD + HO = BALP # 5.32E-12 @ -243.;\n PHEN + HO = 0.152*ASOATJ + 0.619*HO2 \n + 0.170*ADDC \n + 0.059*CHO\n + 0.619*MCT # 6.75E-12 @ -405.;\n CSL + HO = 0.200*ASOATJ + 0.584*HO2 \n + 0.160*ADDC \n + 0.056*CHO\n + 0.584*MCT # 4.65E-11 @ 0.0;\n MCT + HO = MCTO # 2.05E-10 @ 0.0;\n MOH + HO = HO2 + HCHO # 2.85E-12 @ 345.;\n EOH + HO = HO2 + ACD # 3.0E-12 @ -20.;\n ROH + HO = HO2 + 0.719*ALD \n + 0.184*ACD # 2.6E-12 @ -200.;\n ETEG + HO = HO2 + ALD # 1.47E-11;\n OP1 + HO = 0.35*HO + 0.65*MO2\n + 0.35*HCHO # 2.9E-12 @ -190.;\n OP2 + HO = 0.01*HO + 0.44*HC3P\n + 0.07*XO2 \n + 0.08*ALD \n + 0.41*KET # 3.40E-12 @ -190.0;\n OPB + HO = 0.01*HO + 0.44*HC10P\n + 0.07*XO2\n + 0.08*ALD\n + 0.41*KET # 3.40E-12 @ -190.0; \n OP3 + HO = 0.01*HO + 0.44*HC10P\n + 0.07*XO2\n + 0.08*ALD\n + 0.41*KET # 3.40E-12 @ -190.0;\n MAHP + HO = MACP # 3.0E-11;\n ORA1 + HO = HO2 # 4.5E-13;\n ORA2 + HO = 0.64*MO2 + 0.36*ORAP # 4.0E-14 @ -850.;\n PAA + HO = 0.35*HO + 0.65*ACO3 \n + 0.35*XO2\n + 0.35*HCHO # 2.93E-12 @ -190.;\n PAN + HO = XO2 + NO3\n + HCHO # 4.0E-14;\n PPN + HO = XO2 + NO3\n + HCHO # 4.0E-14;\n MPAN + HO = NO2 + HKET # 3.2E-11;\n ONIT + HO = HC3P + NO2 # 5.31E-12 @ 260.;\n TRPN + HO = HOM # 4.80E-12;\n ETE + O3 = 0.08*HO + 0.15*HO2\n + 0.43*CO\n + HCHO\n + 0.37*ORA1 # 9.14E-15 @ 2580.;\n OLT + O3 = 0.22*HO + 0.32*HO2 \n + 0.08*MO2 \n + 0.06*ETHP \n + 0.04*HC3P \n + 0.02*HC5P \n + 0.068*H2O2 \n + 0.43*CO \n + 0.02*ETH \n + 0.015*HC3 \n + 0.006*HC5 \n + 0.032*BEN \n + 0.56*HCHO \n + 0.01*ACD \n + 0.44*ALD \n + 0.03*ACT \n + 0.02*BALD \n + 0.06*MEK \n + 0.01*HKET \n + 0.03*ORA1 \n + 0.06*ORA2 # 4.33E-15 @ 1800.0;\n OLI + O3 = 0.46*HO + 0.07*HO2 \n + 0.32*MO2 \n + 0.07*ETHP \n + 0.04*HC3P \n + 0.09*ACO3 \n + 0.37*CO \n + 0.026*H2O2 \n + 0.01*ETH \n + 0.01*HC3 \n + 0.09*HCHO \n + 0.457*ACD\n + 0.73*ALD \n + 0.11*ACT \n + 0.017*KET \n + 0.044*HKET \n + 0.017*ORA2 # 4.40E-15 @ 845.0; \n API + O3 = 0.90*HO + 0.90*APIP1\n + 0.05*APIP2\n + 0.05*PINAL\n + 0.05*H2O2\n + 0.14*CO # 5.0E-16 @ 530.;\n LIM + O3 = 0.84*HO + 0.84*LIMP1 \n + 0.11*LIMP2\n + 0.05*LIMAL\n + 0.05*H2O2\n + 0.14*CO # 2.95E-15 @ 783.;\n LIMAL + O3 = 0.04*HO + 0.67*HC10P\n + 0.79*HCHO\n + 0.33*KET\n + 0.04*HO2\n + 0.20*CO # 8.30E-18;\n TRPN + O3 = HOM # 1.67E-16;\n MACR + O3 = 0.19*HO + 0.14*HO2\n + 0.10*ACO3 \n + 0.22*CO\n + 0.50*MGLY \n + 0.45*ORA1 # 1.36E-15 @ 2112.;\n MVK + O3 = 0.16*HO + 0.11*HO2\n + 0.28*ACO3\n + 0.01*XO2\n + 0.56*CO\n + 0.10*HCHO\n + 0.54*MGLY\n + 0.07*ORA1\n + 0.07*ORA2\n + 0.10*ALD # 8.50E-16 @ 1520.;\n UALD + O3 = 0.100*HO + 0.072*HO2 \n + 0.008*MO2 \n + 0.002*ACO3 \n + 0.10*XO2 \n + 0.243*CO \n + 0.080*HCHO \n + 0.420*ACD \n + 0.028*KET \n + 0.491*GLY \n + 0.003*MGLY \n + 0.044*ORA1 # 1.66E-18;\n DCB1 + O3 = 0.05*HO + HO2 \n + 0.60*RCO3 \n + 0.60*XO2 \n + 1.50*CO \n + 0.05*HCHO \n + 0.05*GLY \n + 0.08*MGLY \n + 0.65*OP2 # 2.0E-16;\n DCB2 + O3 = 0.05*HO + HO2 \n + 0.60*RCO3 \n + 0.60*XO2 \n + 1.50*CO \n + 0.05*HCHO \n + 0.05*GLY \n + 0.08*MGLY \n + 0.70*DCB1 \n + 0.65*OP2 # 2.0E-16;\n DCB3 + O3 = 0.05*HO + HO2 \n + 1.50*CO \n + 0.48*GLY \n + 0.70*DCB1 \n + 0.25*ORA1 \n + 0.25*ORA2 \n + 0.11*PAA # 9.0E-17;\n MCTO + O3 = MCTP # 2.86E-13;\n ETE + NO3 = 0.80*OLNN + 0.20*OLND # 4.392E-13^2.0@2282.0; \n OLT + NO3 = 0.43*OLNN + 0.57*OLND # 1.79E-13 @ 450.;\n OLI + NO3 = 0.11*OLNN + 0.89*OLND # 8.64E-13 @ -450.;\n API + NO3 = 0.975*APINP1 + 0.025*APINP2 # 1.19E-12 @ -490.;\n LIM + NO3 = 0.945*LIMNP1 + 0.055*LIMNP2 # 1.22E-11;\n TRPN + NO3 = HOM # 3.15E-14 @ 448.;\n HCHO + NO3 = HO2 + CO \n + HNO3 # 2.0E-12 @ 2440.;\n ACD + NO3 = ACO3 + HNO3 # 1.4E-12 @ 1900.;\n ALD + NO3 = RCO3 + HNO3 # 3.76E-12 @ 1900.;\n MACR + NO3 = 0.68*HCHO + 0.32*MACP\n + 0.68*XO2\n + 0.68*MGLY\n + 0.32*HNO3 \n + 0.68*NO2 # 3.40E-15;\n UALD + NO3 = HO2 + XO2\n + 0.668*CO\n + 0.332*HCHO\n + 0.332*ALD\n + ONIT # 5.02E-13 @ 1076.;\n GLY + NO3 = HO2 + 2.0*CO \n + HNO3 # 2.90E-12 @ 1900.;\n MGLY + NO3 = ACO3 + CO \n + HNO3 # 3.76E-12 @ 1900.;\n PHEN + NO3 = 0.152*ASOATJ + 0.339*CHO \n + 0.85*ADDC\n + 0.424*ADCN \n + 0.424*HNO3 # 3.78E-12;\n CSL + NO3 = 0.200*ASOATJ + 0.320*CHO \n + 0.08*ADDC \n + 0.4*ADCN \n + 0.4*HNO3 # 1.06E-12;\n MCT + NO3 = MCTO + HNO3 # 2.01E-10;\n MPAN + NO3 = MACP + NO2 # 2.2E-14 @ 500.;\n PINALP = HOM # 1.0;\n LIMALP = HOM # 1.0;\n ACO3 + NO2 = PAN # 9.7E-29 ^ -5.6 &\n 9.3E-12 ^ -1.5;\n PAN = ACO3 + NO2 # 9.00E-29 @ -14000.0\n *E;\n RCO3 + NO2 = PPN # 9.7E-29 ^ -5.6 &\n 9.3E-12 ^ -1.5;\n PPN = RCO3 + NO2 # 9.00E-29 @ -14000.0\n *E; \n MACP + NO2 = MPAN # 2.80E-12 @ -181.; \n MPAN = MACP + NO2 # 1.60E+16 @ 13486.; \n MO2 + NO = HO2 + NO2 \n + HCHO # 2.80E-12 @ -300.;\n ETHP + NO = HO2 + NO2\n + ACD # 2.6E-12 @ -365.;\n HC3P + NO = 0.660*HO2 + 0.131*MO2\n + 0.048*ETHP\n + 0.089*XO2\n + 0.935*NO2 \n + 0.504*ACD \n + 0.132*ALD \n + 0.165*ACT\n + 0.042*MEK\n + 0.065*ONIT # 4.0E-12;\n HC5P + NO = 0.200*HO2 + 0.051*MO2\n + 0.231*ETHP\n + 0.235*XO2\n + 0.864*NO2\n + 0.018*HCHO\n + 0.045*ACD\n + 0.203*ALD \n + 0.033*MEK\n + 0.217*ACT \n + 0.033*KET\n + 0.272*HKET \n + 0.136*ONIT # 4.0E-12;\n ETEP + NO = HO2 + NO2 \n + 1.6*HCHO \n + 0.2*ALD # 9.0E-12;\n OLTP + NO = 0.78*HO2 + 0.97*NO2 \n + 0.78*HCHO \n + 0.012*ACD \n + 0.44*ALD \n + 0.06*ACT \n + 0.13*MEK \n + 0.03*ONIT # 4.00E-12;\n OLIP + NO = 0.83*HO2 + 0.95*NO2 \n + 0.81*ACD\n + 0.68*ALD \n + 0.20*ACT \n + 0.09*KET \n + 0.02*HKET \n + 0.05*ONIT # 4.00E-12;\n! MCM-based aromatics with Lu et al. updates\n BENP + NO = 0.0000*ONIT\n + 0.0012*VROCP4OXY2\n + 0.0008*VROCN1OXY6\n + 0.9980*NO2\n + 0.9980*HO2\n + 0.0000*BALD\n + 0.9980*GLY\n + 0.4990*FURANONE\n + 0.2495*DCB2\n + 0.2495*DCB3 # 2.7E-12 @ -360.;\n TOLP + NO = 0.0002*ONIT\n + 0.0013*VROCP4OXY2\n + 0.0006*VROCN1OXY6\n + 0.9980*NO2\n + 0.9980*HO2\n + 0.0852*BALD\n + 0.5477*GLY\n + 0.3651*MGLY\n + 0.3651*FURANONE\n + 0.5477*DCB1 # 2.7E-12 @ -360.;\n XYMP + NO = 0.0001*ONIT\n + 0.0013*VROCP3OXY2\n + 0.0006*VROCP0OXY4\n + 0.9980*NO2\n + 0.9980*HO2\n + 0.0481*BALD\n + 0.7029*GLY\n + 0.2470*MGLY\n + 0.3515*FURANONE\n + 0.5984*DCB2 # 2.7E-12 @ -360.;\n XYEP + NO = 0.0002*ONIT\n + 0.0013*VROCP3OXY2\n + 0.0006*VROCP0OXY4\n + 0.9980*NO2\n + 0.9980*HO2\n + 0.0852*BALD\n + 0.5477*GLY\n + 0.3651*MGLY\n + 0.4564*FURANONE\n + 0.4564*DCB2 # 2.7E-12 @ -360.;\n APIP1 + NO = 0.82*HO2 + 0.82*NO2 \n + 0.82*PINAL\n + 0.18*TRPN # 4.0E-12;\n APIP2 + NO = 0.82*HO + 0.82*NO2\n + HOM # 4.0E-12;\n APINP1 + NO = 2*NO2 + PINAL # 4.0E-12;\n APINP2 + NO = 0.82*NO2 + 0.82*HO\n + HOM # 4.0E-12;\n LIMP1 + NO = 0.77*HO2 + 0.77*NO2\n + 0.49*LIMAL\n + 0.28*HCHO\n + 0.28*UALD\n + 0.23*TRPN # 4.0E-12;\n LIMP2 + NO = 0.77*HO + 0.77*NO2\n + HOM # 4.0E-12;\n LIMNP1 + NO = 2*NO2 + LIMAL # 4.0E-12;\n LIMNP2 + NO = 0.77*NO2 + 0.77*HO\n + HOM # 4.0E-12;\n PINALP + NO = 0.95*HO2 + 0.95*NO2 \n + 0.05*TRPN\n + 0.95*HCHO\n + 0.95*KET # 2.7E-12 @ -360.;\n LIMALP + NO = 0.94*HO2 + 0.94*NO2\n + 0.06*TRPN\n + 0.94*HCHO\n + 0.94*KET # 2.7E-12 @ -360.;\n ACO3 + NO = MO2 + NO2 # 8.1E-12 @ -270.;\n RCO3 + NO = ETHP + NO2 # 8.1E-12 @ -270.;\n ACTP + NO = ACO3 + NO2\n + HCHO # 2.9E-12 @ -300.;\n MEKP + NO = 0.67*HO2 + NO2 \n + 0.33*HCHO \n + 0.67*DCB1 # 4.0E-12;\n KETP + NO = 0.77*HO2 + 0.23*ACO3\n + 0.16*XO2\n + NO2\n + 0.46*ALD\n + 0.54*MGLY # 4.0E-12;\n MACP + NO = 0.65*MO2 + 0.35*ACO3\n + NO2\n + 0.65*CO\n + 0.65*HCHO # 2.54E-12 @ -360.;\n MCP + NO = NO2 + 0.50*HO2\n + 0.50*HCHO\n + HKET # 2.54E-12 @ -360.;\n MVKP + NO = 0.3*HO2 + 0.7*ACO3 \n + 0.7*XO2\n + NO2\n + 0.3*HCHO\n + 0.7*ALD \n + 0.3*MGLY # 2.54E-12 @ -360.;\n UALP + NO = HO2 + NO2\n + 0.61*CO\n + 0.03*HCHO\n + 0.27*ALD\n + 0.18*GLY\n + 0.7*KET\n + 0.21*MGLY # 2.54E-12 @ -360.;\n BALP + NO = BAL1 + NO2 # 4.0E-12;\n BAL1 + NO = BAL2 + NO2 # 4.0E-12;\n ADDC + NO = HO2 + NO2\n + 0.32*HKET \n + 0.68*GLY\n + 0.68*OP2 # 2.7E-12 @ -360.;\n MCTP + NO = MCTO + NO2 # 2.7E-12 @ -360.;\n ORAP + NO = NO2 + GLY\n + HO2 # 4.0E-12;\n OLNN + NO = NO2 + HO2\n + ONIT # 4.0E-12;\n OLND + NO = 2.00*NO2 + 0.287*HCHO\n + 1.24*ALD \n + 0.464*KET # 4.0E-12;\n ADCN + NO = 2.0*NO2 + GLY \n + OP2 # 2.7E-12 @ -360.;\n XO2 + NO = NO2 # 4.0E-12;\n BAL2 + NO2 = ONIT # 2.0E-11;\n CHO + NO2 = ONIT # 2.0E-11;\n MCTO + NO2 = ONIT # 2.08E-12;\n MO2 + HO2 = OP1 # 4.1E-13 @ -750.;\n ETHP + HO2 = OP2 # 7.5E-13 @ -700.;\n HC3P + HO2 = OP2 # 1.66E-13 @ -1300.;\n HC5P + HO2 = OP2 # 1.66E-13 @ -1300.;\n ETEP + HO2 = OP2 # 1.90E-13 @ -1300.; \n OLTP + HO2 = OP2 # 1.66E-13 @ -1300.;\n OLIP + HO2 = OP2 # 1.66E-13 @ -1300.;\n! MCM-based aromatics\n BENP + HO2 = 0.0000*OP2\n + 0.6021*OP2\n + 0.3979*VROCN1OXY6 # 2.91E-13 @ -1300.;\n TOLP + HO2 = 0.0854*OP2\n + 0.6341*OP2\n + 0.2805*VROCN1OXY6 # 2.91E-13 @ -1300.;\n XYMP + HO2 = 0.0482*OP2\n + 0.6747*OP3\n + 0.2771*VROCP0OXY4 # 2.91E-13 @ -1300.;\n XYEP + HO2 = 0.0854*OP2\n + 0.6341*OP3\n + 0.2805*VROCP0OXY4 # 2.91E-13 @ -1300.;\n APIP1 + HO2 = OPB # 1.5E-11;\n APIP2 + HO2 = HOM # 1.5E-11;\n APINP1 + HO2 = TRPN # 1.5E-11;\n APINP2 + HO2 = HOM # 1.5E-11;\n LIMP1 + HO2 = OPB # 1.5E-11;\n LIMP2 + HO2 = HOM # 1.5E-11;\n LIMNP1 + HO2 = TRPN # 1.5E-11;\n LIMNP2 + HO2 = HOM # 1.5E-11;\n PINALP + HO2 = OPB # 2.91E-13 @ -1300.;\n LIMALP + HO2 = OPB # 2.91E-13 @ -1300.;\n ACO3 + HO2 = 0.44*HO + 0.44*MO2\n + 0.15*ORA2\n + 0.41*PAA # 4.3E-13 @ -1040.;\n RCO3 + HO2 = 0.44*HO + 0.44*ETHP\n + 0.15*ORA2\n + 0.41*PAA # 4.3E-13 @ -1040.;\n ACTP + HO2 = 0.150*HO + 0.150*ACO3 \n + 0.150*HCHO\n + 0.850*OP2 # 1.15E-13 @ -1300.;\n MEKP + HO2 = OP2 # 1.15E-13 @ -1300.;\n KETP + HO2 = OP2 # 1.15E-13 @ -1300.;\n MACP + HO2 = MAHP # 1.82E-13 @ -1300.;\n MCP + HO2 = MAHP # 1.82E-13 @ -1300.;\n MVKP + HO2 = OP2 # 2.91E-13 @ -1300.;\n UALP + HO2 = OP2 # 2.91E-13 @ -1300.;\n ADDC + HO2 = OP2 # 3.75E-13 @ -980.;\n CHO + HO2 = CSL # 1.00E-11;\n MCTP + HO2 = OP2 # 3.75E-13 @ -980.;\n ORAP + HO2 = OP2 # 1.15E-13 @ -1300.;\n OLNN + HO2 = ONIT # 1.66E-13 @ -1300.; \n OLND + HO2 = ONIT # 1.66E-13 @ -1300.;\n ADCN + HO2 = OP2 # 3.75E-13 @ -980.;\n XO2 + HO2 = OP2 # 1.66E-13 @ -1300.;\n MO2 + MO2 = 0.74*HO2 + 1.37*HCHO\n + 0.63*MOH # 9.5E-14 @ -390.;\n ETHP + MO2 = HO2 + 0.75*HCHO \n + 0.75*ACD\n + 0.250*MOH\n + 0.250*EOH # 1.18E-13 @ -158.;\n HC3P + MO2 = 0.894*HO2 + 0.080*MO2\n + 0.026*ETHP\n + 0.026*XO2\n + 0.827*HCHO\n + 0.198*ALD\n + 0.497*KET\n + 0.050*GLY\n + 0.250*MOH\n + 0.250*ROH # 9.46E-14 @ -431.;\n HC5P + MO2 = 0.842*HO2 + 0.018*MO2\n + 0.140*ETHP\n + 0.191*XO2\n + 0.777*HCHO\n + 0.251*ALD\n + 0.618*KET\n + 0.250*MOH\n + 0.250*ROH # 1.0E-13 @ -467.;\n ETEP + MO2 = HO2 + 1.95*HCHO \n + 0.15*ALD\n + 0.250*MOH\n + 0.250*ETEG # 1.71E-13 @ -708.;\n OLTP + MO2 = HO2 + 1.50*HCHO\n + 0.705*ALD\n + 0.045*KET\n + 0.250*MOH\n + 0.250*ROH # 1.46E-13 @ -708.;\n OLIP + MO2 = HO2 + 0.750*HCHO \n + 1.28*ALD\n + 0.218*KET\n + 0.250*MOH\n + 0.250*ROH # 9.18E-14 @ -708.;\n! MCM-based aromatics\n BENP + MO2 = 0.6800*HCHO\n + 1.3700*HO2\n + 0.3200*MOH\n + 0.0000*BALD\n + 1.0000*GLY\n + 0.5000*FURANONE\n + 0.2500*DCB2\n + 0.2500*DCB3 # 3.56E-14 @ -708.;\n TOLP + MO2 = 0.6800*HCHO\n + 1.2846*HO2\n + 0.3200*MOH\n + 0.0854*BALD\n + 0.5488*GLY\n + 0.3659*MGLY\n + 0.3659*FURANONE\n + 0.5488*DCB1 # 3.56E-14 @ -708.;\n XYMP + MO2 = 0.6800*HCHO\n + 1.3218*HO2\n + 0.3200*MOH\n + 0.0482*BALD\n + 0.7043*GLY\n + 0.2475*MGLY\n + 0.3522*FURANONE\n + 0.5996*DCB2 # 3.56E-14 @ -708.;\n XYEP + MO2 = 0.6800*HCHO\n + 1.2846*HO2\n + 0.3200*MOH\n + 0.0854*BALD\n + 0.5488*GLY\n + 0.3659*MGLY\n + 0.4573*FURANONE\n + 0.4573*DCB2 # 3.56E-14 @ -708.;\n\n ISOP + MO2 = HO2 + 1.31*HCHO \n + 0.159*MACR\n + 0.250*MVK\n + 0.250*MOH\n + 0.250*ROH\n + 0.023*ALD\n + 0.018*GLY\n + 0.016*HKET # 3.4E-14 @ -221.;\n APIP1 + MO2 = HO2 + 0.680*HCHO \n + 0.600*PINAL \n + 0.070*KET\n + 0.320*MOH\n + 0.250*ROH # 3.56E-14 @ -708.;\n APIP2 + MO2 = HO2 + 0.750*HCHO\n + 0.250*MOH\n + HOM # 1.00E-10;\n APINP1 + MO2 = 0.37*HO2 + 0.860*NO2\n + 0.680*HCHO\n + 0.860*PINAL\n + 0.320*MOH\n + 0.140*TRPN # 3.56E-14 @ -708.;\n APINP2 + MO2 = 0.75*HO2 + 0.750*NO2\n + 0.250*MOH\n + 0.750*HCHO\n + HOM # 1.00E-10;\n LIMP1 + MO2 = HO2 + HCHO \n + 0.420*LIMAL\n + 0.300*KET \n + 0.320*MOH\n + 0.270*ROH # 3.56E-14 @ -708.;\n LIMP2 + MO2 = HO2 + 0.750*HCHO\n + 0.250*MOH\n + HOM # 1.00E-10;\n LIMNP1 + MO2 = 0.37*HO2 + 0.680*HCHO\n + 0.700*LIMAL\n + 0.700*NO2\n + 0.320*MOH\n + 0.300*TRPN # 3.56E-14 @ -708.;\n LIMNP2 + MO2 = 0.75*HO2 + 0.750*HCHO\n + 0.750*NO2\n + 0.250*MOH\n + HOM # 1.00E-10;\n ACO3 + MO2 = 0.9*HO2 + 0.9*MO2\n + HCHO \n + 0.1*ORA2 # 2.0E-11 @ -500.;\n RCO3 + MO2 = 0.9*HO2 + 0.9*MO2\n + HCHO \n + 0.1*ORA2 # 2.0E-11 @ -500.;\n ACTP + MO2 = 0.50*HO2 + 0.50*ACO3\n + 1.50*HCHO\n + 0.25*MOH\n + 0.25*ROH \n + 0.125*ORA2 # 7.5E-13 @ -500.;\n MEKP + MO2 = 0.834*HO2 + HCHO \n + 0.334*DCB1 \n + 0.25*MOH\n + 0.25*ROH # 6.91E-13 @ -508.;\n KETP + MO2 = HO2 + 0.75*HCHO \n + 0.50*DCB1 \n + 0.25*MOH\n + 0.25*ROH # 6.91E-13 @ -508.; \n MACP + MO2 = 0.50*HO2 + 0.269*ACO3\n + 0.500*CO\n + 1.66*HCHO \n + 0.067*ORA2\n + 0.250*MO2\n + 0.250*MOH\n + 0.250*ROH # 3.4E-14 @ -221.;\n MCP + MO2 = NO2 + HO2\n + 1.50*HCHO \n + 0.50*HKET\n + 0.250*MOH\n + 0.250*ROH # 3.4E-14 @ -221.; \n MVKP + MO2 = HO2 + 1.16*ACO3\n + 1.16*XO2\n + 1.5*HCHO \n + 1.75*ALD\n + 0.500*MGLY\n + 0.250*MOH\n + 0.250*ROH \n + 0.292*ORA2 # 8.37E-14;\n UALP + MO2 = HO2 + 0.305*CO \n + 0.773*HCHO \n + 0.203*ALD\n + 0.525*KET\n + 0.135*GLY\n + 0.105*MGLY\n + 0.250*MOH\n + 0.250*ROH # 3.4E-14 @ -221.;\n BALP + MO2 = HO2 + BAL1 \n + HCHO # 3.56E-14 @ -708.;\n BAL1 + MO2 = HO2 + BAL2 \n + HCHO # 3.56E-14 @ -708.;\n ADDC + MO2 = 2.0*HO2 + HCHO \n + 0.32*HKET\n + 0.68*GLY\n + 0.68*OP2 # 3.56E-14 @ -708.;\n MCTP + MO2 = HO2 + MCTO \n + HCHO # 3.56E-14 @ -708.;\n ORAP + MO2 = HCHO + HO2\n + GLY # 7.50E-13 @ -500.;\n OLNN + MO2 = 2.00*HO2 + HCHO\n + ONIT # 1.6E-13 @ -708.;\n OLND + MO2 = 0.500*HO2 + 0.500*NO2 \n + 0.965*HCHO \n + 0.930*ALD\n + 0.348*KET\n + 0.250*MOH\n + 0.250*ROH\n + 0.500*ONIT # 9.68E-14 @ -708.;\n ADCN + MO2 = HO2 + 0.7*NO2\n + HCHO \n + 0.7*GLY\n + 0.7*OP2\n + 0.3*ONIT # 3.56E-14;\n XO2 + MO2 = HO2 + HCHO # 5.99E-15 @ -1510.;\n ETHP + ACO3 = 0.500*HO2 + 0.5*MO2 \n + ACD \n + 0.5*ORA2 # 1.03E-12 @ -211.;\n HC3P + ACO3 = 0.394*HO2 + 0.580*MO2\n + 0.026*ETHP\n + 0.026*XO2\n + 0.130*HCHO\n + 0.273*ALD \n + 0.662*KET\n + 0.067*GLY\n + 0.500*ORA2 # 6.9E-13 @ -460.;\n HC5P + ACO3 = 0.342*HO2 + 0.518*MO2\n + 0.140*ETHP\n + 0.191*XO2 \n + 0.042*HCHO\n + 0.381*ALD \n + 0.824*KET\n + 0.500*ORA2 # 5.59E-13 @ -522.;\n ETEP + ACO3 = 0.5*HO2 + 0.5*MO2 \n + 1.6*HCHO \n + 0.2*ALD \n + 0.5*ORA2 # 9.48E-13 @ -765.; \n OLTP + ACO3 = 0.500*HO2 + 0.500*MO2 \n + HCHO \n + 0.940*ALD \n + 0.060*KET\n + 0.500*ORA2 # 8.11E-13 @ -765.;\n OLIP + ACO3 = 0.500*HO2 + 0.500*MO2 \n + 1.71*ALD \n + 0.290*KET\n + 0.500*ORA2 # 5.09E-13 @ -765.;\n! MCM-based aromatics\n BENP + ACO3 = 0.7000*MO2\n + 1.0000*HO2\n + 0.3000*ORA2\n + 0.0000*BALD\n + 1.0000*GLY\n + 0.5000*FURANONE\n + 0.2500*DCB2\n + 0.2500*DCB3 # 7.4E-13 @ -765.;\n TOLP + ACO3 = 0.7000*MO2\n + 0.9146*HO2\n + 0.3000*ORA2\n + 0.0854*BALD\n + 0.5488*GLY\n + 0.3659*MGLY\n + 0.3659*FURANONE\n + 0.5488*DCB1 # 7.4E-13 @ -765.;\n XYMP + ACO3 = 0.7000*MO2\n + 0.9518*HO2\n + 0.3000*ORA2\n + 0.0482*BALD\n + 0.7043*GLY\n + 0.2475*MGLY\n + 0.3522*FURANONE\n + 0.5996*DCB2 # 7.4E-13 @ -765.;\n XYEP + ACO3 = 0.7000*MO2\n + 0.9146*HO2\n + 0.3000*ORA2\n + 0.0854*BALD\n + 0.5488*GLY\n + 0.3659*MGLY\n + 0.4573*FURANONE\n + 0.4573*DCB2 # 7.4E-13 @ -765.;\n\n\n ISOP + ACO3 = 0.5*HO2 + 0.5*MO2\n + 1.048*HCHO\n + 0.219*MACR\n + 0.305*MVK \n + 0.5*ORA2 # 8.4E-14 @ -221.;\n APIP1 + ACO3 = 0.63*HO2 + 0.7*MO2 \n + 0.6*PINAL\n + 0.3*ORA2 \n + 0.07*KET\n + 0.25*ROH # 7.4E-13 @ -765.;\n APIP2 + ACO3 = 0.5*HO + 0.5*MO2\n + 0.5*ORA2\n + HOM # 1.0E-10;\n APINP1 + ACO3 = 0.86*NO2 + 0.14*TRPN\n + 0.86*PINAL\n + 0.7*MO2\n + 0.3*ORA2 # 7.4E-13 @ -765.;\n APINP2 + ACO3 = 0.5*NO2 + 0.5*MO2\n + 0.5*ORA2\n + HOM # 1.0E-10;\n LIMP1 + ACO3 = 0.63*HO2 + 0.7*MO2 \n + 0.42*LIMAL\n + 0.3*KET\n + 0.3*ORA2\n + 0.32*HCHO \n + 0.27*ROH # 7.4E-13 @ -765.;\n LIMP2 + ACO3 = 0.5*HO + 0.5*MO2\n + 0.5*ORA2\n + HOM # 1.0E-10;\n LIMNP1 + ACO3 = 0.7*NO2 + 0.7*LIMAL\n + 0.3*TRPN\n + 0.7*MO2\n + 0.3*ORA2 # 7.4E-13 @ -765.;\n LIMNP2 + ACO3 = 0.5*MO2 + 0.5*NO2\n + 0.5*ORA2\n + HOM # 1.0E-10;\n ACO3 + ACO3 = 2.0*MO2 # 2.5E-12 @ -500.;\n RCO3 + ACO3 = MO2 + ETHP # 2.5E-12 @ -500.;\n ACTP + ACO3 = 0.50*MO2 + 0.50*ACO3 \n + HCHO \n + 0.75*ORA2 # 7.51E-13 @ -565.;\n MEKP + ACO3 = 0.33*HO2 + 0.50*MO2 \n + 0.33*HCHO \n + 0.334*DCB1\n + 0.50*ORA2 # 7.51E-13 @ -565.;\n KETP + ACO3 = 0.50*HO2 + 0.50*MO2 \n + 0.50*DCB1 \n + 0.50*ORA2 # 7.51E-13 @ -565.;\n MACP + ACO3 = 0.635*ORA2 + 0.50*MO2\n + 0.269*ACO3\n + 0.500*CO\n + HCHO # 8.4E-14 @ -221.; \n MCP + ACO3 = NO2 + 0.50*HO2\n + HCHO\n + 0.5*HKET\n + 0.5*MO2\n + 0.5*ORA2 # 8.4E-14 @ -221.; \n MVKP + ACO3 = 0.5*HO2 + 0.5*MO2\n + 1.16*ACO3 \n + 1.16*XO2\n + HCHO\n + 2.3*ALD\n + 0.5*MGLY\n + 1.083*ORA2 # 1.68E-12 @ -500.;\n UALP + ACO3 = 0.5*HO2 + 0.5*MO2\n + 0.5*CO\n + 0.030*HCHO\n + 0.27*ALD\n + 0.7*KET\n + 0.18*GLY\n + 0.105*MGLY\n + 0.5*ORA2 # 1.68E-12 @ -500.;\n BALP + ACO3 = MO2 + BAL1 # 7.4E-13 @ -765.;\n BAL1 + ACO3 = MO2 + BAL2 # 7.4E-13 @ -765.;\n ADDC + ACO3 = 2.00*HO2 + MO2\n + 0.32*HKET\n + 0.68*GLY\n + 0.68*OP2 # 7.4E-13 @ -708.;\n MCTP + ACO3 = HO2 + MO2 \n + MCTO # 7.4E-13 @ -708.;\n ORAP + ACO3 = MO2 + GLY # 7.51E-13 @ -565.;\n OLNN + ACO3 = HO2 + MO2 \n + ONIT # 8.85E-13 @ -765.;\n OLND + ACO3 = 0.500*MO2 + NO2 \n + 0.287*HCHO \n + 1.24*ALD \n + 0.464*KET\n + 0.500*ORA2 # 5.37E-13 @ -765.;\n ADCN + ACO3 = HO2 + MO2\n + 0.7*NO2\n + 0.7*GLY\n + 0.7*OP2\n + 0.3*ONIT # 7.4E-13 @ -708.;\n XO2 + ACO3 = MO2 # 3.4E-14 @ -1560.;\n RCO3 + RCO3 = 2.0*ETHP # 2.50E-12 @ -500.0;\n MO2 + NO3 = HO2 + HCHO\n + NO2 # 1.20E-12;\n ETHP + NO3 = HO2 + NO2 \n + ACD # 1.2E-12;\n HC3P + NO3 = 0.254*HO2 + 0.140*MO2 \n + 0.092*XO2 \n + 0.503*ETHP \n + NO2 \n + 0.519*ACD \n + 0.147*ALD \n + 0.075*MEK \n + 0.095*ACT # 1.20E-12;\n HC5P + NO3 = 0.488*HO2 + 0.055*MO2 \n + 0.280*ETHP \n + 0.485*XO2 \n + NO2 \n + 0.024*HCHO \n + 0.241*ALD \n + 0.060*KET \n + 0.063*MEK \n + 0.247*ACT \n + 0.048*ACD \n + 0.275*HKET # 1.20E-12;\n ETEP + NO3 = HO2 + NO2\n + 1.6*HCHO \n + 0.2*ALD # 1.2E-12; \n OLTP + NO3 = 0.47*ALD + 0.79*HCHO \n + 0.79*HO2 \n + NO2 \n + 0.18*MEK \n + 0.02*ACD \n + 0.09*ACT # 1.20E-12; \n OLIP + NO3 = 0.86*HO2 + 0.72*ALD \n + 0.11*KET \n + NO2 \n + 0.20*ACT \n + 0.85*ACD \n + 0.04*HKET # 1.20E-12;\n! MCM-based aromatics\n BENP + NO3 = 1.0000*NO2\n + 1.0000*HO2\n + 0.0000*BALD\n + 1.0000*GLY\n + 0.5000*FURANONE\n + 0.2500*DCB2\n + 0.2500*DCB3 # 2.3E-12;\n TOLP + NO3 = 1.0000*NO2\n + 0.9146*HO2\n + 0.0854*BALD\n + 0.5488*GLY\n + 0.3659*MGLY\n + 0.3659*FURANONE\n + 0.5488*DCB1 # 2.3E-12;\n XYMP + NO3 = 1.0000*NO2\n + 0.9518*HO2\n + 0.0482*BALD\n + 0.7043*GLY\n + 0.2475*MGLY\n + 0.3522*FURANONE\n + 0.5996*DCB2 # 2.3E-12;\n XYEP + NO3 = 1.0000*NO2\n + 0.9146*HO2\n + 0.0854*BALD\n + 0.5488*GLY\n + 0.3659*MGLY\n + 0.4573*FURANONE\n + 0.4573*DCB2 # 2.3E-12;\n\n\n ISOP + NO3 = HO2 + NO2 \n + 0.75*HCHO \n + 0.318*MACR \n + 0.500*MVK\n + 0.024*GLY\n + 0.033*HKET\n + 0.031*ALD # 1.2E-12;\n APIP1 + NO3 = HO2 + NO2\n + ALD \n + KET # 1.2E-12;\n LIMP1 + NO3 = HO2 + NO2\n + 0.385*OLI\n + 0.385*HCHO\n + 0.615*MACR # 1.2E-12;\n ACO3 + NO3 = MO2 + NO2 # 4.0E-12;\n RCO3 + NO3 = ETHP + NO2 # 4.0E-12;\n ACTP + NO3 = ACO3 + NO2\n + HCHO # 1.2E-12;\n MEKP + NO3 = 0.67*HO2 + NO2\n + 0.33*HCHO\n + 0.67*DCB1 # 1.2E-12;\n KETP + NO3 = HO2 + NO2 \n + DCB1 # 1.2E-12;\n MACP + NO3 = HCHO + 0.538*ACO3\n + CO\n + NO2 # 1.2E-12;\n MCP + NO3 = NO2 + HO2\n + HCHO\n + HKET # 1.2E-12;\n MVKP + NO3 = 0.30*HO2 + 0.70*ACO3 \n + 0.70*XO2 \n + NO2 \n + 0.30*HCHO\n + 0.70*ALD \n + 0.30*MGLY # 2.5E-12;\n UALP + NO3 = HO2 + NO2\n + 0.61*CO\n + 0.03*HCHO\n + 0.27*ALD\n + 0.7*KET\n + 0.18*GLY\n + 0.21*MGLY # 2.5E-12;\n BALP + NO3 = BAL1 + NO2 # 2.5E-12;\n BAL1 + NO3 = BAL2 + NO2 # 2.5E-12;\n ADDC + NO3 = HO2 + NO2\n + 0.32*HKET \n + 0.68*GLY\n + 0.68*OP2 # 1.2E-12;\n MCTP + NO3 = NO2 + MCTO # 1.2E-12;\n ORAP + NO3 = NO2 + GLY\n + HO2 # 1.2E-12;\n OLNN + NO3 = HO2 + NO2 \n + ONIT # 1.2E-12;\n OLND + NO3 = 2.00*NO2 + 0.287*HCHO\n + 1.24*ALD \n + 0.464*KET # 1.2E-12;\n ADCN + NO3 = 2.0*NO2 + GLY\n + OP2 # 1.2E-12;\n OLNN + OLNN = HO2 + 2.00*ONIT # 7.0E-14 @ -1000.;\n OLNN + OLND = 0.500*HO2 + 0.500*NO2 \n + 0.202*HCHO \n + 0.640*ALD \n + 0.149*KET\n + 1.50*ONIT # 4.25E-14 @ -1000.;\n OLND + OLND = NO2 + 0.504*HCHO\n + 1.21*ALD\n + 0.285*KET\n + ONIT # 2.96E-14 @ -1000.; \n XO2 + NO3 = NO2 # 1.2E-12;\n XO2 + RCO3 = ETHP # 2.5E-12 @ -500.;\n XO2 + XO2 = # 7.13E-17 @ -2950.;\n APIP2 + APIP1 = 0.96*HOM + 0.48*ROH\n + 0.48*PINAL\n + 0.48*HO\n + 0.48*HO2\n + 0.04*ELHOM #1.00E-10;\n APIP2 + LIMP1 = 0.96*HOM + 0.48*ROH\n + 0.48*LIMAL\n + 0.48*HO\n + 0.48*HO2\n + 0.04*ELHOM #1.00E-10;\n APIP2 + ISOP = 0.96*HOM + 0.48*ROH\n + 0.48*HCHO\n + 0.48*MVK\n + 0.48*HO\n + 0.48*HO2\n + 0.04*ELHOM #1.00E-10;\n LIMP2 + APIP1 = 0.96*HOM + 0.48*ROH\n + 0.48*PINAL\n + 0.48*HO\n + 0.48*HO2\n + 0.04*ELHOM #1.00E-10;\n LIMP2 + LIMP1 = 0.96*HOM + 0.48*ROH\n + 0.48*LIMAL\n + 0.48*HO\n + 0.48*HO2\n + 0.04*ELHOM #1.00E-10;\n LIMP2 + ISOP = 0.96*HOM + 0.48*ROH\n + 0.48*HCHO\n + 0.48*MVK\n + 0.48*HO\n + 0.48*HO2\n + 0.04*ELHOM #1.00E-10;\n APINP2 + APIP1 = 0.96*HOM + 0.48*ROH\n + 0.48*PINAL\n + 0.48*NO2\n + 0.48*HO2\n + 0.04*ELHOM #1.00E-10;\n APINP2 + LIMP1 = 0.96*HOM + 0.48*ROH\n + 0.48*LIMAL\n + 0.48*NO2\n + 0.48*HO2\n + 0.04*ELHOM #1.00E-10;\n APINP2 + ISOP = 0.96*HOM + 0.48*ROH\n + 0.48*HCHO\n + 0.48*MVK\n + 0.48*NO2\n + 0.48*HO2\n + 0.04*ELHOM #1.00E-10;\n LIMNP2 + APIP1 = 0.96*HOM + 0.48*ROH\n + 0.48*PINAL\n + 0.48*NO2\n + 0.48*HO2\n + 0.04*ELHOM #1.00E-10;\n LIMNP2 + LIMP1 = 0.96*HOM + 0.48*ROH\n + 0.48*LIMAL\n + 0.48*NO2\n + 0.48*HO2\n + 0.04*ELHOM #1.00E-10;\n LIMNP2 + ISOP = 0.96*HOM + 0.48*ROH\n + 0.48*HCHO\n + 0.48*MVK\n + 0.48*NO2\n + 0.48*HO2\n + 0.04*ELHOM #1.00E-10;\n\n\n!\n! SOA related reactions \n IEPOX + HO = HO # 5.78E-11@400; \n\n! VROCIOXY added with behavior like ETHP\n! 12.0% by mass (14.8% by mole) SOA yield added\n! kOH set to emission weighted value\n VROCIOXY + HO = 0.852*ETHP\n + 0.149*ASOATJ # 6.89E-12;\n! assume SLOWROC, which has effectively 2.1C, makes ethane-like RO2 with SLOWROC emission weighted kOH\n SLOWROC + HO = ETHP + 0.00101*ASOATJ # 6.55E-14;\n\n! HAP chemistry\n! ELD uncommented ACRO photolysis 11/18/21, kept photolysis rate constant that was already here\n< T17> ACRO + HO = 0.57*MACP + 0.43*MCP \n -1.0*XC # 8.E-12@-380;\n< T18> ACRO + O3 = .84*CO + .56*HO2 \n + .28*HO \n + .72*HCHO \n + .62*GLY \n + 0.2*XC # 2.9E-19;\n< T19> ACRO + NO3 = .68*HCHO + .32*MACP \n + .68*XO2 \n + .68*MGLY \n + .32*HNO3 \n + .68*NO2 \n - 0.32*XC # 3.4E-15;\n! 0.219*CH4 product removed from ACRO due to fixed CH4 conc\n< T20> ACRO = CO + .477*HO2 \n + .25*ETE \n + .246*CO2 \n + .204*ACO3 \n + .204*HO \n + .15*HCHO \n + .15*ACO3 \n + .177*XC \n + .027*MO2 # 1.0/;\n! BDE13 from SAPRC18/mechgen with MCM rate constant for T10\n< T10> BDE13 + HO = 0.667*BDE13P + 0.333*UALD \n + 0.333*HO2 \n - 0.333*XC # 1.48E-11@-448.;\n< T10a> BDE13P + NO = 0.968*HO2 + .968*NO2 \n + .895*ACRO \n + .895*HCHO \n + .072*FURAN \n + .032*ONIT \n - 0.0975*XC # 9.05E-12;\n< T10b> BDE13P + NO3 = 1.0*HO2 + 1.*NO2 \n + .925*ACRO \n + .925*HCHO \n + .075*FURAN \n - .075*XC #2.3E-12;\n< T10c> BDE13P + HO2 = 1.0*OP2 - 2.*XC # 1.61E-11;\n< T10d> BDE13P + MO2 = 0.32*MOH + 0.68*HCHO \n + 0.87*HO2 \n + .463*ACRO \n + .463*HCHO \n + .25*OLT\n + .231*MVK\n + .037*FURAN \n + .019*UALD \n - 0.056*XC # 2.39E-12;\n< T10e> BDE13P + ACO3 = 0.7*MO2 + 0.3*ORA2\n + 0.8*HO2 \n + .74*ACRO \n + .74*HCHO \n + .185*MVK \n + .06*FURAN \n + .015*UALD\n - 0.075*XC # 1.37E-11;\n< T11> BDE13 + O3 = .62*ACRO + .63*CO \n + .42*HO2 \n + .08*HO\n + .83*HCHO \n + .17*ETE \n + 3.66*XC # 1.34E-14@2283.;\n< T12> BDE13 + NO3 = 0.900*OLNN \n + 0.100*OLND \n + 0.900*ACRO # 1E-13;\n\n! Furans based on 5 species aggregate using Wang et al. JGR 2021, Schwantes, and Coggon\n! Use RACM2 o-xylene RO2+HO2, RACM2 (same as MCM) RO2+NO rate constants\n! SOA yield taken from Table S1 of Bruns et al. 2016 Sci Rep and mass removed from KET product\n FURAN + HO = 0.49*DCB1 + 0.49*HO2\n + 0.51*FURANO2 # 5.01E-11;\n FURANO2 + NO = 0.08*ONIT + 0.92*NO2\n + 0.92*FURANONE\n + 0.75*HO2\n + 0.17*MO2 # 2.7E-12 @ -360.;\n FURANO2 + HO2 = 0.6*OP2 + 0.4*FURANONE\n + 0.4*HO\n + 0.32*HO2\n + 0.08*MO2 # 3.75E-13 @ -980.;\n FURANONE + HO = 0.65*KET + 0.31*GLY\n + 0.66*HO2\n + 0.34*MO2\n + 0.43*CO\n + 0.04*ASOATJ # 4.40E-11;\n FURAN + O3 = 0.02*HO + ALD # 3.43E-17;\n FURAN + NO3 = NO2 + 0.8*DCB1\n + 0.2*DCB3 # 8.99E-12;\n\n\n! PROG based on Coggon et al. and MCM http://mcm.york.ac.uk/browse.htt?species=PROPGLY\n PROG + HO = 0.613*HKET + 0.387*ALD + HO2 #1.20E-11;\n\n! Sesquiterpenes based on MCM b-caryophyllene with autoxidation\n! added to O3 channel following Richters et al. 2016 ES&T\n SESQ + NO3 = SESQNRO2 # 1.9E-11;\n SESQNRO2 + HO2 = VROCP0OXY4 # 2.84E-13 @ -1300.0;\n SESQNRO2 + NO = VROCP3OXY2 + 2.0*NO2 # 2.70E-12 @ -360.0;\n SESQNRO2 + NO3 = VROCP3OXY2 + 2.0*NO2 # 2.3E-12;\n SESQ + O3 = 0.982*VROCP3OXY2 \n + 0.018*VROCN2OXY2 # 1.2E-14;\n SESQ + HO = SESQRO2 # 1.97E-10;\n SESQRO2 + HO2 = VROCP0OXY2 # 2.84E-13 @ -1300.0;\n SESQRO2 + NO3 = VROCP3OXY2 # 2.3E-12;\n SESQRO2 + NO = 0.247*VROCP1OXY3 \n + 0.753*VROCP3OXY2\n + 0.753*NO2 # 2.70E-12 @ -360.0;\n\n! GLY and MGLY uptake\n GLY = AGLYJ # 1.0~;\n MGLY = AGLYJ # 1.0~;\n\n! heteorogeneous reactions from hetchem and poaaging routines version 5.0.2\n\n N2O5 = 2.0*HNO3 # 1.0~;\n\n NO2 = 0.5*HONO + 0.5*HNO3 # 1.0~;\n\n! Simplified ozone loss from oceanic halogens excluding chlorine\n\n O3 = %H # 6.7006E-11@-10.7435 & 3.4153E-08@0.6713\n & 2.0E-6;\n IEPOX = IEPOXP # 1.0~;\n IEPOXP = AISO3NOSJ # 1.0~;\n IEPOXP + ASO4J = AISO3OSJ # 1.0~;\n\n\n! IEPOX = AISO3J # 1.0~;\n\n! ROCALK chemistry based on GECKO (Lannuque et al. 2018 ACP) \n! with autoxidation from Praske et al. 2018 PNAS\n! HO not regenerated due to actual radical chemistry\n VROCP6ALK + HO = 1.0000 * VROCP6ALKP # 1.53e-11;\n VROCP5ALK + HO = 1.0000 * VROCP5ALKP # 1.68e-11;\n VROCP4ALK + HO = 1.0000 * VROCP4ALKP # 2.24e-11;\n VROCP3ALK + HO = 1.0000 * VROCP3ALKP # 2.67e-11;\n VROCP2ALK + HO = 1.0000 * VROCP2ALKP # 3.09e-11;\n VROCP1ALK + HO = 1.0000 * VROCP1ALKP # 3.38e-11;\n HC10 + HO = 1.0000 * HC10P # 1.10e-11;\n\n! RO+NO updated to MCM values to include T dep\n VROCP6ALKP + NO = 0.7200 * VROCP6ALKP2\n + 0.2800 * VROCP4OXY2\n + 0.7200 * NO2 # 2.7e-12 @ -360.;\n VROCP5ALKP + NO = 0.7200 * VROCP5ALKP2 \n + 0.2800 * VROCP3OXY2\n + 0.7200 * NO2 # 2.7e-12 @ -360.;\n VROCP4ALKP + NO = 0.7200 * VROCP4ALKP2 \n + 0.2800 * VROCP2OXY2\n + 0.7200 * NO2 # 2.7e-12 @ -360.;\n VROCP3ALKP + NO = 0.7200 * VROCP3ALKP2 \n + 0.2800 * VROCP1OXY1\n + 0.7200 * NO2 # 2.7e-12 @ -360.;\n VROCP2ALKP + NO = 0.7200 * VROCP2ALKP2 \n + 0.2800 * VROCP0OXY2\n + 0.7200 * NO2 # 2.7e-12 @ -360.;\n VROCP1ALKP + NO = 0.7200 * VROCP1ALKP2 \n + 0.2800 * VROCN1OXY1\n + 0.7200 * NO2 # 2.7e-12 @ -360.;\n HC10P + NO = 0.7400 * HC10P2 \n + 0.2600 * ONIT\n + 0.7400 * NO2 # 2.7E-12 @ -360.;\n\n VROCP6ALKP + NO3 = 1.0000 * VROCP6ALKP2 \n + 1.0000 * NO2 # 2.30e-12;\n VROCP5ALKP + NO3 = 1.0000 * VROCP5ALKP2 \n + 1.0000 * NO2 # 2.30e-12;\n VROCP4ALKP + NO3 = 1.0000 * VROCP4ALKP2 \n + 1.0000 * NO2 # 2.30e-12;\n VROCP3ALKP + NO3 = 1.0000 * VROCP3ALKP2 \n + 1.0000 * NO2 # 2.30e-12;\n VROCP2ALKP + NO3 = 1.0000 * VROCP2ALKP2 \n + 1.0000 * NO2 # 2.30e-12;\n VROCP1ALKP + NO3 = 1.0000 * VROCP1ALKP2 \n + 1.0000 * NO2 # 2.30e-12;\n HC10P + NO3 = 1.0000 * HC10P2 \n + 1.0000 * NO2 # 2.30e-12;\n\n VROCP6ALKP + HO2 = 1.0000 * VROCP3OXY2 # 2.17e-11;\n VROCP5ALKP + HO2 = 1.0000 * VROCP2OXY2 # 2.20e-11;\n VROCP4ALKP + HO2 = 1.0000 * VROCP1OXY1 # 2.25e-11;\n VROCP3ALKP + HO2 = 1.0000 * VROCP0OXY2 # 2.26e-11;\n VROCP2ALKP + HO2 = 1.0000 * VROCN1OXY1 # 2.27e-11;\n VROCP1ALKP + HO2 = 1.0000 * VROCN2OXY2 # 2.27e-11;\n HC10P + HO2 = 1.0000 * OP2 # 2.66e-13 @ -1300.;\n\n VROCP6ALKP2 = 1.0000 * HO2\n + 1.0000 * VROCP3OXY2 # 1.88e-1;\n VROCP5ALKP2 = 1.0000 * HO2\n + 1.0000 * VROCP2OXY2 # 1.88e-1;\n VROCP4ALKP2 = 1.0000 * HO2\n + 1.0000 * VROCP1OXY1 # 1.88e-1;\n VROCP3ALKP2 = 1.0000 * HO2\n + 1.0000 * VROCP0OXY2 # 1.88e-1;\n VROCP2ALKP2 = 1.0000 * HO2\n + 1.0000 * VROCN1OXY1 # 1.88e-1;\n VROCP1ALKP2 = 1.0000 * HO2\n + 1.0000 * VROCN2OXY2 # 1.88e-1;\n HC10P2 = 1.0000 * HO2\n + 1.0000 * VROCP4OXY2 # 1.88e-1;\n\n! RO2+NO,NO3 products updated to assume alkoxy radical proceeds\n! entirely through ketone channel (same as MCM)\n VROCP6ALKP2 + NO = 0.1400 * VROCP2OXY2 \n + 0.8600 * NO2\n + 0.8600 * VROCP3OXY2 \n + 0.8600 * HO2 # 2.7E-12 @ -360.;\n VROCP5ALKP2 + NO = 0.1400 * VROCP1OXY3 \n + 0.8600 * NO2\n + 0.8600 * VROCP2OXY2 \n + 0.8600 * HO2 # 2.7E-12 @ -360.;\n VROCP4ALKP2 + NO = 0.1400 * VROCP0OXY2 \n + 0.8600 * NO2\n + 0.8600 * VROCP1OXY1\n + 0.8600 * HO2 # 2.7E-12 @ -360.;\n VROCP3ALKP2 + NO = 0.1400 * VROCN1OXY1 \n + 0.8600 * NO2\n + 0.8600 * VROCP0OXY2 \n + 0.8600 * HO2 # 2.7E-12 @ -360.;\n VROCP2ALKP2 + NO = 0.1400 * VROCN2OXY2 \n + 0.8600 * NO2\n + 0.8600 * VROCN1OXY1 \n + 0.8600 * HO2 # 2.7E-12 @ -360.;\n VROCP1ALKP2 + NO = 0.1400 * VROCN2OXY2 \n + 0.8600 * NO2\n + 0.8600 * VROCN2OXY2 \n + 0.8600 * HO2 # 2.7E-12 @ -360.;\n HC10P2 + NO = 0.1200 * ONIT \n + 0.8800 * NO2\n + 0.8800 * KET \n + 0.8800 * HO2 # 2.7E-12 @ -360.;\n\n VROCP6ALKP2 + NO3 = 1.0000 * NO2\n + 1.0000 * VROCP3OXY2 \n + 1.0000 * HO2 # 2.30e-12;\n VROCP5ALKP2 + NO3 = 1.0000 * NO2\n + 1.0000 * VROCP2OXY2 \n + 1.0000 * HO2 # 2.30e-12;\n VROCP4ALKP2 + NO3 = 1.0000 * NO2\n + 1.0000 * VROCP1OXY1 \n + 1.0000 * HO2 # 2.30e-12;\n VROCP3ALKP2 + NO3 = 1.0000 * NO2\n + 1.0000 * VROCP0OXY2 \n + 1.0000 * HO2 # 2.30e-12;\n VROCP2ALKP2 + NO3 = 1.0000 * NO2\n + 1.0000 * VROCN1OXY1 \n + 1.0000 * HO2 # 2.30e-12;\n VROCP1ALKP2 + NO3 = 1.0000 * NO2\n + 1.0000 * VROCN2OXY2 \n + 1.0000 * HO2 # 2.30e-12;\n HC10P2 + NO3 = 1.0000 * NO2\n + 1.0000 * KET \n + 1.0000 * HO2 # 2.30e-12;\n\n VROCP6ALKP2 + HO2 = 1.0000 * VROCP1OXY3 # 2.17e-11;\n VROCP5ALKP2 + HO2 = 1.0000 * VROCP0OXY2 # 2.20e-11;\n VROCP4ALKP2 + HO2 = 1.0000 * VROCN1OXY1 # 2.25e-11;\n VROCP3ALKP2 + HO2 = 1.0000 * VROCN2OXY2 # 2.26e-11;\n VROCP2ALKP2 + HO2 = 1.0000 * VROCN2OXY2 # 2.27e-11;\n VROCP1ALKP2 + HO2 = 1.0000 * VROCN2OXY2 # 2.27e-11;\n HC10P2 + HO2 = 1.0000 * VROCP2OXY2 # 2.66e-13 @ -1300.;\n\n! IVOC aromatic oxidation following MCM with autoxidation\n! added to bicyclic RO2 channel. Epoxide channel eliminated\n! and nitrate yield reduced following Xu et al. JPCA 2020.\n! RO2+RO2 rates from RACM2 aromatic RO2s\n! ROCP6ARO\n VROCP6ARO + HO = 0.8400*VROCP6AROP\n + 0.1600*HO2\n + 0.1600*VROCP4OXY2 # 1.81E-11;\n VROCP6AROP + HO2 = 0.0595*VROCP4OXY2\n + 0.9048*VROCP1OXY3\n + 0.0357*VROCN2OXY4 # 2.91E-13 @ -1300.;\n VROCP6AROP + NO = 0.0001*VROCP4OXY2\n + 0.0018*VROCP2OXY2\n + 0.0001*VROCN1OXY3\n + 0.9980*NO2\n + 0.9980*HO2\n + 0.0594*BALD\n + 0.4693*GLY\n + 0.4693*MGLY\n + 0.4693*FURANONE\n + 0.4693*DCB2 # 2.7E-12 @ -360.;\n VROCP6AROP + NO3 = 1.0000*NO2\n + 0.9405*HO2\n + 0.0595*BALD\n + 0.4702*GLY\n + 0.4702*MGLY\n + 0.4702*FURANONE\n + 0.4702*DCB2 # 2.3E-12;\n VROCP6AROP + MO2 = 0.6800*HCHO\n + 1.3105*HO2\n + 0.3200*MOH\n + 0.0595*BALD\n + 0.4702*GLY\n + 0.4702*MGLY\n + 0.4702*FURANONE\n + 0.4702*DCB2 # 3.56E-14 @ -708.;\n VROCP6AROP + ACO3 = 0.7000*MO2\n + 0.9405*HO2\n + 0.3000*ORA2\n + 0.0595*BALD\n + 0.4702*GLY\n + 0.4702*MGLY\n + 0.4702*FURANONE\n + 0.4702*DCB2 # 7.4E-13 @ -765.;\n! ROCP5ARO\n VROCP5ARO + HO = 0.8400*VROCP5AROP\n + 0.1600*HO2\n + 0.1600*VROCP3OXY2 # 1.81E-11;\n VROCP5AROP + HO2 = 0.0595*VROCP3OXY2\n + 0.9048*VROCP0OXY2\n + 0.0357*VROCN2OXY4 # 2.91E-13 @ -1300.;\n VROCP5AROP + NO = 0.0001*VROCP3OXY2\n + 0.0018*VROCP1OXY3\n + 0.0001*VROCN2OXY4\n + 0.9980*NO2\n + 0.9980*HO2\n + 0.0594*VROCP4OXY2\n + 0.4693*GLY\n + 0.4693*MGLY\n + 0.4693*FURANONE\n + 0.4693*DCB2 # 2.7E-12 @ -360.;\n VROCP5AROP + NO3 = 1.0000*NO2\n + 0.9405*HO2\n + 0.0595*VROCP4OXY2\n + 0.4702*GLY\n + 0.4702*MGLY\n + 0.4702*FURANONE\n + 0.4702*DCB2 # 2.3E-12;\n VROCP5AROP + MO2 = 0.6800*HCHO\n + 1.3105*HO2\n + 0.3200*MOH\n + 0.0595*VROCP4OXY2\n + 0.4702*GLY\n + 0.4702*MGLY\n + 0.4702*FURANONE\n + 0.4702*DCB2 # 3.56E-14 @ -708.;\n VROCP5AROP + ACO3 = 0.7000*MO2\n + 0.9405*HO2\n + 0.3000*ORA2\n + 0.0595*VROCP4OXY2\n + 0.4702*GLY\n + 0.4702*MGLY\n + 0.4702*FURANONE\n + 0.4702*DCB2 # 7.4E-13 @ -765.;\n\n! NAPH\n NAPH + HO = 0.8400*NAPHP\n + 0.1600*HO2\n + 0.1600*VROCP3OXY2 # 2.31E-11;\n NAPHP + HO2 = 0.0595*VROCP3OXY2\n + 0.9048*VROCP1OXY3\n + 0.0357*VROCN2OXY8 # 2.91E-13 @ -1300.;\n NAPHP + NO = 0.0001*VROCP4OXY2\n + 0.0018*VROCP2OXY2\n + 0.0001*VROCN2OXY8\n + 0.9980*NO2\n + 0.9980*HO2\n + 0.0594*VROCP4OXY2\n + 0.4693*GLY\n + 0.4693*MGLY\n + 0.4693*FURANONE\n + 0.4693*DCB2 # 2.7E-12 @ -360.;\n NAPHP + NO3 = 1.0000*NO2\n + 0.9405*HO2\n + 0.0595*VROCP4OXY2\n + 0.4702*GLY\n + 0.4702*MGLY\n + 0.4702*FURANONE\n + 0.4702*DCB2 # 2.3E-12;\n NAPHP + MO2 = 0.6800*HCHO\n + 1.3105*HO2\n + 0.3200*MOH\n + 0.0595*VROCP4OXY2\n + 0.4702*GLY\n + 0.4702*MGLY\n + 0.4702*FURANONE\n + 0.4702*DCB2 # 3.56E-14 @ -708.;\n NAPHP + ACO3 = 0.7000*MO2\n + 0.9405*HO2\n + 0.3000*ORA2\n + 0.0595*VROCP4OXY2\n + 0.4702*GLY\n + 0.4702*MGLY\n + 0.4702*FURANONE\n + 0.4702*DCB2 # 7.4E-13 @ -765.;\n\n! Multigenerational oxidation of LVOCs and SVOCs\n! Aging of ROCOXY with explicit low MW species\n VROCN2OXY8 + HO = HO \n + 0.0854 * VROCN2OXY8 + 0.2581 * DCB1\n + 0.2581 * MEK + 0.2581 * ACD\n + 0.2581 * ALD + 0.2581 * MO2\n + 0.2581 * ETHP + 0.2581 * HC3P\n + 0.2581 * MEKP # 5.90e-11;\n VROCN2OXY4 + HO = HO \n + 0.4640 * VROCN2OXY8 + 0.1977 * VROCN2OXY4\n + 0.0121 * VROCN1OXY6 + 0.0152 * VROCN1OXY3\n + 0.0624 * VROCP0OXY4 + 0.0388 * VROCP1OXY3\n + 0.0491 * VROCP2OXY2 + 0.0398 * VROCP3OXY2\n + 0.0183 * VROCP4OXY2 + 0.0308 * OP3\n + 0.0040 * OP2 + 0.0794 * DCB1\n + 0.0794 * MEK + 0.0794 * KET\n + 0.0794 * ACD + 0.0794 * ALD\n + 0.0794 * MO2 + 0.0794 * ETHP\n + 0.0794 * HC3P + 0.0794 * MEKP\n + 0.0794 * HC5P + 0.0794 * KETP # 6.07e-11;\n VROCN2OXY2 + HO = HO \n + 0.1041 * VROCN2OXY8 + 0.5638 * VROCN2OXY4\n + 0.2141 * VROCN2OXY2 + 0.0153 * VROCN1OXY6\n + 0.0298 * VROCN1OXY3 + 0.0096 * VROCN1OXY1\n + 0.0189 * VROCP0OXY4 + 0.0456 * VROCP0OXY2\n + 0.0314 * VROCP1OXY3 + 0.0199 * VROCP1OXY1\n + 0.0459 * VROCP2OXY2 + 0.0452 * VROCP3OXY2\n + 0.0455 * VROCP4OXY2 + 0.0325 * VROCP5OXY1\n + 0.0369 * VROCP6OXY1 + 0.0026 * OP3\n + 0.0390 * DCB1 + 0.0390 * HKET\n + 0.0390 * MEK + 0.0390 * ACD\n + 0.0390 * ALD + 0.0390 * MO2\n + 0.0390 * ETHP + 0.0390 * HC3P\n + 0.0390 * MEKP + 0.0925 * HC5P # 5.54e-11;\n VROCN1OXY6 + HO = HO \n + 0.2036 * VROCN2OXY8 + 0.0071 * VROCN2OXY4\n + 0.1840 * DCB1 + 0.1840 * MEK\n + 0.1840 * KET + 0.1840 * ACD\n + 0.1840 * ALD + 0.1840 * MO2\n + 0.1840 * ETHP + 0.1840 * HC3P\n + 0.1840 * MEKP + 0.1840 * HC5P # 5.63e-11;\n VROCN1OXY3 + HO = HO \n + 0.2792 * VROCN2OXY8 + 0.4025 * VROCN2OXY4\n + 0.0088 * VROCN2OXY2 + 0.0319 * VROCN1OXY6\n + 0.0076 * VROCN1OXY3 + 0.0194 * VROCP0OXY4\n + 0.0104 * VROCP0OXY2 + 0.0510 * VROCP1OXY3\n + 0.0075 * VROCP1OXY1 + 0.0512 * VROCP2OXY2\n + 0.0462 * VROCP3OXY2 + 0.0512 * VROCP4OXY2\n + 0.0138 * VROCP5OXY1 + 0.0135 * OP2\n + 0.0646 * DCB1 + 0.0646 * HKET\n + 0.0646 * MEK + 0.0646 * ACD\n + 0.0646 * ALD + 0.0646 * MO2\n + 0.0646 * ETHP + 0.0646 * HC3P\n + 0.0646 * MEKP + 0.1753 * HC5P # 5.46e-11;\n VROCN1OXY1 + HO = HO \n + 0.0074 * VROCN2OXY8 + 0.1190 * VROCN2OXY4\n + 0.7261 * VROCN2OXY2 + 0.0122 * VROCN1OXY6\n + 0.0305 * VROCN1OXY3 + 0.0070 * VROCN1OXY1\n + 0.0291 * VROCP0OXY4 + 0.0454 * VROCP0OXY2\n + 0.0234 * VROCP1OXY3 + 0.0352 * VROCP1OXY1\n + 0.0624 * VROCP2OXY2 + 0.0518 * VROCP3OXY2\n + 0.0509 * VROCP4OXY2 + 0.0347 * VROCP5OXY1\n + 0.0748 * VROCP6OXY1 + 0.0163 * OP3\n + 0.0062 * OP2 + 0.0244 * DCB1\n + 0.0244 * HKET + 0.0244 * MEK\n + 0.0244 * ACD + 0.0244 * ALD\n + 0.0244 * MO2 + 0.0244 * ETHP\n + 0.0244 * HC3P + 0.0244 * MEKP\n + 0.0537 * HC5P # 4.50e-11;\n VROCP0OXY4 + HO = HO \n + 0.2822 * VROCN2OXY8 + 0.1165 * VROCN2OXY4\n + 0.0320 * VROCN1OXY6 + 0.0183 * VROCN1OXY3\n + 0.0011 * VROCP0OXY4 + 0.0660 * VROCP2OXY2\n + 0.0535 * VROCP3OXY2 + 0.0246 * VROCP4OXY2\n + 0.0054 * OP2 + 0.1068 * DCB1\n + 0.1068 * MEK + 0.1068 * KET\n + 0.1068 * ACD + 0.1068 * ALD\n + 0.1068 * MO2 + 0.1068 * ETHP\n + 0.1068 * HC3P + 0.1068 * MEKP\n + 0.1068 * HC5P + 0.1068 * KETP # 5.17e-11;\n VROCP0OXY2 + HO = HO \n + 0.0659 * VROCN2OXY8 + 0.4579 * VROCN2OXY4\n + 0.1156 * VROCN2OXY2 + 0.0325 * VROCN1OXY6\n + 0.0657 * VROCN1OXY3 + 0.0046 * VROCN1OXY1\n + 0.0307 * VROCP0OXY4 + 0.0024 * VROCP0OXY2\n + 0.0395 * VROCP1OXY3 + 0.0215 * VROCP1OXY1\n + 0.0539 * VROCP2OXY2 + 0.0516 * VROCP3OXY2\n + 0.0519 * VROCP4OXY2 + 0.0371 * VROCP5OXY1\n + 0.0421 * VROCP6OXY1 + 0.0105 * OP3\n + 0.0445 * DCB1 + 0.0445 * HKET\n + 0.0445 * MEK + 0.0445 * ACD\n + 0.0445 * ALD + 0.0445 * MO2\n + 0.0445 * ETHP + 0.0445 * HC3P\n + 0.0445 * MEKP + 0.1055 * HC5P # 4.73e-11;\n VROCP1OXY3 + HO = HO \n + 0.1778 * VROCN2OXY8 + 0.1924 * VROCN2OXY4\n + 0.0004 * VROCN2OXY2 + 0.0740 * VROCN1OXY6\n + 0.0452 * VROCN1OXY3 + 0.0631 * VROCP0OXY4\n + 0.0007 * VROCP0OXY2 + 0.0006 * VROCP1OXY3\n + 0.0227 * VROCP2OXY2 + 0.0585 * VROCP3OXY2\n + 0.0649 * VROCP4OXY2 + 0.0174 * VROCP5OXY1\n + 0.0154 * OP3 + 0.0170 * OP2\n + 0.0818 * DCB1 + 0.0818 * HKET\n + 0.0818 * MEK + 0.0818 * ACD\n + 0.0818 * ALD + 0.0818 * MO2\n + 0.0818 * ETHP + 0.0818 * HC3P\n + 0.0818 * MEKP + 0.2220 * HC5P # 4.60e-11;\n VROCP1OXY1 + HO = HO \n + 0.0023 * VROCN2OXY8 + 0.1340 * VROCN2OXY4\n + 0.3349 * VROCN2OXY2 + 0.0080 * VROCN1OXY6\n + 0.1193 * VROCN1OXY3 + 0.0758 * VROCN1OXY1\n + 0.0292 * VROCP0OXY4 + 0.0766 * VROCP0OXY2\n + 0.0277 * VROCP1OXY3 + 0.0118 * VROCP1OXY1\n + 0.0651 * VROCP2OXY2 + 0.0709 * VROCP3OXY2\n + 0.0668 * VROCP4OXY2 + 0.0423 * VROCP5OXY1\n + 0.0911 * VROCP6OXY1 + 0.0066 * OP3\n + 0.0025 * OP2 + 0.0297 * DCB1\n + 0.0297 * HKET + 0.0297 * MEK\n + 0.0297 * ACD + 0.0297 * ALD\n + 0.0297 * MO2 + 0.0297 * ETHP\n + 0.0297 * HC3P + 0.0297 * MEKP\n + 0.0654 * HC5P # 3.80e-11;\n VROCP2OXY2 + HO = HO \n + 0.0445 * VROCN2OXY8 + 0.1726 * VROCN2OXY4\n + 0.0104 * VROCN2OXY2 + 0.0513 * VROCN1OXY6\n + 0.1118 * VROCN1OXY3 + 0.0013 * VROCN1OXY1\n + 0.1337 * VROCP0OXY4 + 0.0403 * VROCP0OXY2\n + 0.0511 * VROCP1OXY3 + 0.0068 * VROCP1OXY1\n + 0.0236 * VROCP2OXY2 + 0.0293 * VROCP3OXY2\n + 0.0733 * VROCP4OXY2 + 0.0523 * VROCP5OXY1\n + 0.0595 * VROCP6OXY1 + 0.0041 * OP3\n + 0.0023 * OP2 + 0.0628 * DCB1\n + 0.0628 * HKET + 0.0628 * MEK\n + 0.0628 * ACD + 0.0628 * ALD\n + 0.0628 * MO2 + 0.0628 * ETHP\n + 0.0628 * HC3P + 0.0628 * MEKP\n + 0.1489 * HC5P # 3.93e-11;\n VROCP3OXY2 + HO = HO \n + 0.0317 * VROCN2OXY8 + 0.0765 * VROCN2OXY4\n + 0.0009 * VROCN2OXY2 + 0.0526 * VROCN1OXY6\n + 0.0489 * VROCN1OXY3 + 0.1550 * VROCP0OXY4\n + 0.0155 * VROCP0OXY2 + 0.1051 * VROCP1OXY3\n + 0.0013 * VROCP1OXY1 + 0.0535 * VROCP2OXY2\n + 0.0086 * VROCP3OXY2 + 0.0426 * VROCP4OXY2\n + 0.0582 * VROCP5OXY1 + 0.0661 * VROCP6OXY1\n + 0.0506 * OP3 + 0.0114 * OP2\n + 0.0698 * DCB1 + 0.0698 * HKET\n + 0.0698 * MEK + 0.0698 * ACD\n + 0.0698 * ALD + 0.0698 * MO2\n + 0.0698 * ETHP + 0.0698 * HC3P\n + 0.0698 * MEKP + 0.1656 * HC5P # 3.52e-11;\n VROCP4OXY2 + HO = HO \n + 0.0117 * VROCN2OXY8 + 0.0167 * VROCN2OXY4\n + 0.0480 * VROCN1OXY6 + 0.0246 * VROCN1OXY3\n + 0.0881 * VROCP0OXY4 + 0.0916 * VROCP1OXY3\n + 0.0073 * VROCP1OXY1 + 0.0972 * VROCP2OXY2\n + 0.0456 * VROCP3OXY2 + 0.0024 * VROCP4OXY2\n + 0.0479 * VROCP5OXY1 + 0.0745 * VROCP6OXY1\n + 0.0607 * OP3 + 0.0155 * OP2\n + 0.0786 * DCB1 + 0.0786 * HKET\n + 0.0786 * MEK + 0.0786 * ACD\n + 0.0786 * ALD + 0.0786 * MO2\n + 0.0786 * ETHP + 0.0786 * HC3P\n + 0.0786 * MEKP + 0.1730 * HC5P # 3.12e-11;\n VROCP5OXY1 + HO = HO \n + 0.0103 * VROCN2OXY4 + 0.0006 * VROCN2OXY2\n + 0.0090 * VROCN1OXY6 + 0.0146 * VROCN1OXY3\n + 0.0702 * VROCP0OXY4 + 0.0153 * VROCP0OXY2\n + 0.1038 * VROCP1OXY3 + 0.0031 * VROCP1OXY1\n + 0.1650 * VROCP2OXY2 + 0.1566 * VROCP3OXY2\n + 0.0724 * VROCP4OXY2 + 0.0062 * VROCP5OXY1\n + 0.1398 * VROCP6OXY1 + 0.0216 * OP3\n + 0.0384 * OP2 + 0.0526 * DCB1\n + 0.0526 * HKET + 0.0526 * MEK\n + 0.0526 * ACD + 0.0526 * ALD\n + 0.0526 * MO2 + 0.0526 * ETHP\n + 0.0526 * HC3P + 0.0526 * MEKP\n + 0.1280 * HC5P # 2.40e-11;\n VROCP6OXY1 + HO = HO \n + 0.0061 * VROCN1OXY6 + 0.0049 * VROCN1OXY3\n + 0.0224 * VROCP0OXY4 + 0.0503 * VROCP1OXY3\n + 0.0022 * VROCP1OXY1 + 0.0879 * VROCP2OXY2\n + 0.1384 * VROCP3OXY2 + 0.1463 * VROCP4OXY2\n + 0.0432 * VROCP5OXY1 + 0.0957 * VROCP6OXY1\n + 0.0316 * OP3 + 0.0585 * OP2\n + 0.0571 * DCB1 + 0.0571 * HKET\n + 0.0571 * MEK + 0.0571 * ACD\n + 0.0571 * ALD + 0.0571 * MO2\n + 0.0571 * ETHP + 0.0571 * HC3P\n + 0.0571 * MEKP + 0.1544 * HC5P # 2.05e-11;\n OP3 + HO = HO \n + 0.1188 * VROCN2OXY8 + 0.0008 * VROCN2OXY4\n + 0.0390 * VROCN1OXY6 + 0.0114 * VROCP0OXY4\n + 0.2266 * DCB1 + 0.2266 * MEK\n + 0.2266 * ACD + 0.2266 * ALD\n + 0.2266 * MO2 + 0.2266 * ETHP\n + 0.2266 * HC3P + 0.2266 * MEKP # 4.69e-11;\n\nEND MECH\n\nCONSTANTS\n ATM_AIR = 1.0E+06\n ATM_H2 = 0.56\n ATM_N2 = 0.7808E+06\n ATM_O2 = 0.2095E+06\n ATM_CH4 = 1.85\nEND CONSTANTS\n\n\n\n" }, { "path": "CCTM/src/MECHS/cracmm2/AE_cracmm2.nml", "content": "&AE_nml\n\nAE_SPECIES_DATA = \n\n!SPECIES ,MOLWT ,Aitken ,Accum ,Coarse ,OPTICS ,IC ,IC_FAC ,BC ,BC_FAC ,DRYDEP SURR ,FAC ,WET-SCAV SURR,FAC ,AE2AQ SURR ,TRNS ,DDEP ,WDEP ,CONC,!RepCmp,ExplicitorLumped,DTXSID,SMILES\n'ASO4' , 96.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'SO4' , 1 ,'SO4' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Sulfate ion,L,DTXSID3042425,[O-]S(=O)(=O)[O-]\n'ANH4' , 18.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'NH4' , 1 ,'NH4' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Ammonium ion,E,DTXSID5043974,[NH4+]\n'ANO3' , 62.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'NO3' , 1 ,'NO3' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Nitrate ion,E,DTXSID5024217,[N+](=O)([O-])[O-]\n'ASOAT' ,200.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!3;4;5;6;7-Pentahydroxyheptan-2-one,L,DTXSID80956455,CC(=O)C(C(C(C(CO)O)O)O)O\n'AGLY' , 66.40 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!2-(4;5-dihydroxy-1;3-dioxolan-2-yl)-1;3-dioxolane-4;5-diol,L,NA,OC2OC(C1OC(O)C(O)O1)OC2O\n'AHOM' ,250.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!NA,NA,NA,NA\n'AELHOM' ,402.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!NA,NA,NA,NA\n'AORGC' ,177.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'AORGC' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!2-(4;5-dihydroxy-1;3-dioxolan-2-yl)-1;3-dioxolane-4;5-diol,L,NA,OC2OC(C1OC(O)C(O)O1)OC2O\n'AEC' , 12.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'EC' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Carbon,L,NA,[C]\n'AOTHR' ,200.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'PRI' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Unspeciated PM,L,NA,NA\n'AFE' , 55.80 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'FE' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Iron ion,E,DTXSID4042672,[Fe++]\n'AAL' , 27.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'PRI' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Aluminum ion,E,DTXSID70912343,[Al+3]\n'ASI' , 28.10 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'PRI' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Total Silicon,E,DTXSID0051441,[Si]\n'ATI' , 47.90 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'PRI' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Total Titanium,E,DTXSID3047764,[Ti]\n'ACA' , 40.10 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'CA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Calcium ion,E,DTXSID7037638,[Ca++]\n'AMG' , 24.30 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'MG' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Magnesium ion,E,NA,[Mg++]\n'AK' , 39.10 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'K' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Potassium ion,E,DTXSID9042671,[K+]\n'AMN' , 54.90 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'MN' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Manganese ions,L,DTXSID00167687,[Mn++]\n'ACORS' ,100.00 ,F ,F ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'ANTH' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Coarse PM,L,NA,NA\n'ASOIL' ,100.00 ,F ,F ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'SOIL' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Crustal species,L,NA,NA\n'NUM' , 1.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VNUM' , 1 ,'NUM' , 1 ,'NUM' ,'Yes' ,'' ,'' ,'Yes',!Number of particles,L,NA,NA\n'SRF' , 1.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VSRF' , 1 ,'SRF' , 1 ,'SRF' ,'Yes' ,'' ,'' ,'Yes',!Surface area of particles,L,NA,NA\n'AORGH2O' , 18.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'H2O' , 1 ,'H2O' ,'Yes' ,'' ,'' ,'Yes',!Water,E,DTXSID6026296,O\n'AH2O' , 18.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'H2O' , 1 ,'H2O' ,'Yes' ,'' ,'' ,'Yes',!Water,E,DTXSID6026296,O\n'AH3OP' , 19.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'' ,-1 ,'' ,'Yes' ,'' ,'' ,'Yes',!Hydronium ion,E,DTXSID20893597,[OH3+]\n'ANA' , 23.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'NA' , 1 ,'NA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Sodium ion,E,DTXSID8037671,[Na+]\n'ACL' , 35.50 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'CL' , 1 ,'CL' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Chloride ion,E,DTXSID6043969,[Cl-]\n'ASEACAT' , 23.75 ,F ,F ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'SEAS' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Coarse sea spray cations,L,NA,NA\n'APOC' ,220.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Organic carbon,L,NA,NA \n'APNCOM' ,220.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Non-carbon organic matter,L,NA,NA\n'AOP3' ,176.2 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!NA,NA,NA,NA\n'AROCN2ALK' ,422.83 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!NA,NA,NA,NA\n'AROCN1ALK' ,408.80 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!NA,NA,NA,NA\n'AROCP0ALK' ,394.77 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!NA,NA,NA,NA\n'AROCP1ALK' ,380.75 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!NA,NA,NA,NA\n'AROCP2ALK' ,338.66 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!NA,NA,NA,NA\n'AROCP3ALK' ,296.58 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!NA,NA,NA,NA\n'AROCN2OXY2',282.4 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!NA,NA,NA,NA\n'AROCN2OXY4',232.3 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!NA,NA,NA,NA\n'AROCN2OXY8',194.2 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!NA,NA,NA,NA\n'AROCN1OXY1',312.5 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!NA,NA,NA,NA\n'AROCN1OXY3',230.3 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!NA,NA,NA,NA\n'AROCN1OXY6',190.2 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!NA,NA,NA,NA\n'AROCP0OXY2',242.4 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!NA,NA,NA,NA\n'AROCP0OXY4',202.3 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!NA,NA,NA,NA\n'AROCP1OXY1',270.5 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!NA,NA,NA,NA\n'AROCP1OXY3',202.3 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!NA,NA,NA,NA\n'AROCP2OXY2',200.3 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!NA,NA,NA,NA\n'AROCP3OXY2',186.3 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!NA,NA,NA,NA\n'AISO3NOS' ,136.20 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!2-methylbutane-1;2;3;4-tetrol,L,NA,C(O)C(O)(C)C(O)CO\n'AISO3OS' ,216.20 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!(1;3;4-trihydroxy-2-methylbutan-2-yl)oxysulfonic acid,L,NA,C(O)C(OS(O)(=O)(=O))(C)C(O)CO\n'AISO4' ,168.1 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!4-hydroperoxy-3-methylbutane-1;1;2;3-tetrol,L,NA,CC(O)(COO)C(O)C(O)O\n'AISO5' ,150.1 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!2-hydroperoxy-3;4-dihydroxy-3-methylbutanal,L,NA,CC(O)(CO)C(OO)C=O\n'ATRPN' ,215.0 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!NA,NA,NA,NA\n'AHONIT' ,265.0 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!NA,NA,NA,NA\n/ \n" }, { "path": "CCTM/src/MECHS/cracmm2/CMAQ_Control_DESID_cracmm2.nml", "content": "!------------------------------------------------------------------------------!\n! Emission Control Interface !\n! for the !\n! Detailed Emissions Scaling, Isolation, and Diagnostics (DESID) Module, !\n! part of the !\n! Community Multiscale Air Quality (CMAQ) Model !\n! developed and maintained by the !\n! Center for Environmental Measurement and Modeling (CEMM), !\n! Office of Research and Development (ORD) !\n! U.S. Environmental Protection Agency (USEPA) !\n! !\n! This namelist is consistent with CMAQv5.4 (Release AUGUST 2022) !\n! !\n! See CMAQ User's Guide Appendix B (https://github.com/USEPA/CMAQ/blob/main/ !\n! DOCS/Users_Guide/Appendix/CMAQ_UG_appendixB_emissions_control.md) !\n! and Murphy et al., Geoscientific Model Development, 14, 3407-3420, !\n! https://doi.org/10.5194/gmd-14-3407-2021, 2021. !\n!------------------------------------------------------------------------------!\n\n!------------------------------------------------------------------------------!\n! Emissions Scaling Rule Specification Component !\n! Each rule is presented as a row of inputs. The syntax of the !\n! emissions scaling rules is the following: !\n! EM_INSTR(I) = 'Region Label', 'Stream Label', 'Emission-Species', !\n! 'CMAQ-Species', 'Phase/Mode', 'Scale Factor', 'Basis', !\n! 'Operation' !\n! !\n! See the User's Guide for detailed definitions of each field. !\n! !\n! You may confirm the effect of the (default and custom) rules below by !\n! inspecting the processor-dependent log files (\"CTM_LOG_XXX...\") !\n! !\n! Note: If no rules are provided for a species, then there is no emission !\n! of that species. !\n!------------------------------------------------------------------------------!\n&Desid_ScalingVars\n Desid_Max_Rules = 2500\n/\n\n&Desid_Scaling\n Desid_Rules_nml =\n ! Region | Stream Label |Emission | CMAQ- |Phase/|Scale |Basis |Op \n ! Label | |Surrogate| Species |Mode |Factor| | \n \n !> DEFAULT MAPPING Semivolatile POA - apply meat cooking profile by default for sources\n ! that are not treated with a specific volatility profile (GENERAL_POA family).\n ! Based on Woody et al., 2016: https://doi.org/10.5194/acp-16-4081-2016\n ! O:C Ratio of 0.1 (or lowest available OXY species) based on \n ! Mohr et al. 2009 https://pubs.acs.org/doi/10.1021/es8011518\n 'EVERYWHERE', 'GRIDDED_EMIS' ,'PMOCN2' ,'VROCN2OXY2' ,'GAS' ,0. ,'MASS','a', \n 'EVERYWHERE', 'GRIDDED_EMIS' ,'PMNCOMN2','VROCN2OXY2' ,'GAS' ,0. ,'MASS','a', \n 'EVERYWHERE', 'GRIDDED_EMIS' ,'PMOCN2' ,'VROCP0OXY2' ,'GAS' ,0.175,'MASS','a', \n 'EVERYWHERE', 'GRIDDED_EMIS' ,'PMNCOMN2','VROCP0OXY2' ,'GAS' ,0.175,'MASS','a', \n 'EVERYWHERE', 'GRIDDED_EMIS' ,'PMOCN2' ,'VROCP1OXY1' ,'GAS' ,0.091,'MASS','a', \n 'EVERYWHERE', 'GRIDDED_EMIS' ,'PMNCOMN2','VROCP1OXY1' ,'GAS' ,0.091,'MASS','a', \n 'EVERYWHERE', 'GRIDDED_EMIS' ,'PMOCN2' ,'VROCP2OXY2' ,'GAS' ,0.100,'MASS','a', \n 'EVERYWHERE', 'GRIDDED_EMIS' ,'PMNCOMN2','VROCP2OXY2' ,'GAS' ,0.100,'MASS','a', \n 'EVERYWHERE', 'GRIDDED_EMIS' ,'PMOCN2' ,'VROCP3OXY2' ,'GAS' ,0.100,'MASS','a', \n 'EVERYWHERE', 'GRIDDED_EMIS' ,'PMNCOMN2','VROCP3OXY2' ,'GAS' ,0.100,'MASS','a', \n 'EVERYWHERE', 'GRIDDED_EMIS' ,'PMOCN2' ,'AROCN2OXY2' ,'FINE',0.35 ,'MASS','a', \n 'EVERYWHERE', 'GRIDDED_EMIS' ,'PMNCOMN2','AROCN2OXY2' ,'FINE',0.35 ,'MASS','a', \n 'EVERYWHERE', 'GRIDDED_EMIS' ,'PMOCN2','AROCP0OXY2' ,'FINE',0.175,'MASS','a', \n 'EVERYWHERE', 'GRIDDED_EMIS' ,'PMNCOMN2','AROCP0OXY2' ,'FINE',0.175,'MASS','a', \n 'EVERYWHERE', 'GRIDDED_EMIS' ,'PMOCN2' ,'AROCP1OXY1' ,'FINE',0.009,'MASS','a', \n 'EVERYWHERE', 'GRIDDED_EMIS' ,'PMNCOMN2','AROCP1OXY1' ,'FINE',0.009,'MASS','a', \n 'EVERYWHERE', 'GRIDDED_EMIS' ,'PMOCN2' ,'AROCP2OXY2' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'GRIDDED_EMIS' ,'PMNCOMN2','AROCP2OXY2' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'GRIDDED_EMIS' ,'PMOCN2' ,'VROCP3OXY2' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'GRIDDED_EMIS' ,'PMNCOMN2','VROCP3OXY2' ,'FINE',0. ,'MASS','a', \n\n ! GENERAL_POA volatility profile\n 'EVERYWHERE', 'PT_NONEGU' ,'PMOCN2' ,'VROCN2OXY2' ,'GAS' ,0. ,'MASS','a', \n 'EVERYWHERE', 'PT_NONEGU' ,'PMNCOMN2','VROCN2OXY2' ,'GAS' ,0. ,'MASS','a', \n 'EVERYWHERE', 'PT_NONEGU' ,'PMOCN2' ,'VROCP0OXY2' ,'GAS' ,0.175,'MASS','a', \n 'EVERYWHERE', 'PT_NONEGU' ,'PMNCOMN2','VROCP0OXY2' ,'GAS' ,0.175,'MASS','a', \n 'EVERYWHERE', 'PT_NONEGU' ,'PMOCN2' ,'VROCP1OXY1' ,'GAS' ,0.091,'MASS','a', \n 'EVERYWHERE', 'PT_NONEGU' ,'PMNCOMN2','VROCP1OXY1' ,'GAS' ,0.091,'MASS','a', \n 'EVERYWHERE', 'PT_NONEGU' ,'PMOCN2' ,'VROCP2OXY2' ,'GAS' ,0.100,'MASS','a', \n 'EVERYWHERE', 'PT_NONEGU' ,'PMNCOMN2','VROCP2OXY2' ,'GAS' ,0.100,'MASS','a', \n 'EVERYWHERE', 'PT_NONEGU' ,'PMOCN2' ,'VROCP3OXY2' ,'GAS' ,0.100,'MASS','a', \n 'EVERYWHERE', 'PT_NONEGU' ,'PMNCOMN2','VROCP3OXY2' ,'GAS' ,0.100,'MASS','a', \n 'EVERYWHERE', 'PT_NONEGU' ,'PMOCN2' ,'AROCN2OXY2' ,'FINE',0.35 ,'MASS','a', \n 'EVERYWHERE', 'PT_NONEGU' ,'PMNCOMN2','AROCN2OXY2' ,'FINE',0.35 ,'MASS','a', \n 'EVERYWHERE', 'PT_NONEGU' ,'PMOCN2','AROCP0OXY2' ,'FINE',0.175,'MASS','a', \n 'EVERYWHERE', 'PT_NONEGU' ,'PMNCOMN2','AROCP0OXY2' ,'FINE',0.175,'MASS','a', \n 'EVERYWHERE', 'PT_NONEGU' ,'PMOCN2' ,'AROCP1OXY1' ,'FINE',0.009,'MASS','a', \n 'EVERYWHERE', 'PT_NONEGU' ,'PMNCOMN2','AROCP1OXY1' ,'FINE',0.009,'MASS','a', \n 'EVERYWHERE', 'PT_NONEGU' ,'PMOCN2' ,'AROCP2OXY2' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'PT_NONEGU' ,'PMNCOMN2','AROCP2OXY2' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'PT_NONEGU' ,'PMOCN2' ,'VROCP3OXY2' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'PT_NONEGU' ,'PMNCOMN2','VROCP3OXY2' ,'FINE',0. ,'MASS','a', \n\n ! GENERAL_POA volatility profile\n 'EVERYWHERE', 'PT_EGU' ,'PMOCN2' ,'VROCN2OXY2' ,'GAS' ,0. ,'MASS','a', \n 'EVERYWHERE', 'PT_EGU' ,'PMNCOMN2','VROCN2OXY2' ,'GAS' ,0. ,'MASS','a', \n 'EVERYWHERE', 'PT_EGU' ,'PMOCN2' ,'VROCP0OXY2' ,'GAS' ,0.175,'MASS','a', \n 'EVERYWHERE', 'PT_EGU' ,'PMNCOMN2','VROCP0OXY2' ,'GAS' ,0.175,'MASS','a', \n 'EVERYWHERE', 'PT_EGU' ,'PMOCN2' ,'VROCP1OXY1' ,'GAS' ,0.091,'MASS','a', \n 'EVERYWHERE', 'PT_EGU' ,'PMNCOMN2','VROCP1OXY1' ,'GAS' ,0.091,'MASS','a', \n 'EVERYWHERE', 'PT_EGU' ,'PMOCN2' ,'VROCP2OXY2' ,'GAS' ,0.100,'MASS','a', \n 'EVERYWHERE', 'PT_EGU' ,'PMNCOMN2','VROCP2OXY2' ,'GAS' ,0.100,'MASS','a', \n 'EVERYWHERE', 'PT_EGU' ,'PMOCN2' ,'VROCP3OXY2' ,'GAS' ,0.100,'MASS','a', \n 'EVERYWHERE', 'PT_EGU' ,'PMNCOMN2','VROCP3OXY2' ,'GAS' ,0.100,'MASS','a', \n 'EVERYWHERE', 'PT_EGU' ,'PMOCN2' ,'AROCN2OXY2' ,'FINE',0.35 ,'MASS','a', \n 'EVERYWHERE', 'PT_EGU' ,'PMNCOMN2','AROCN2OXY2' ,'FINE',0.35 ,'MASS','a', \n 'EVERYWHERE', 'PT_EGU' ,'PMOCN2','AROCP0OXY2' ,'FINE',0.175,'MASS','a', \n 'EVERYWHERE', 'PT_EGU' ,'PMNCOMN2','AROCP0OXY2' ,'FINE',0.175,'MASS','a', \n 'EVERYWHERE', 'PT_EGU' ,'PMOCN2' ,'AROCP1OXY1' ,'FINE',0.009,'MASS','a', \n 'EVERYWHERE', 'PT_EGU' ,'PMNCOMN2','AROCP1OXY1' ,'FINE',0.009,'MASS','a', \n 'EVERYWHERE', 'PT_EGU' ,'PMOCN2' ,'AROCP2OXY2' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'PT_EGU' ,'PMNCOMN2','AROCP2OXY2' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'PT_EGU' ,'PMOCN2' ,'VROCP3OXY2' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'PT_EGU' ,'PMNCOMN2','VROCP3OXY2' ,'FINE',0. ,'MASS','a', \n\n ! GENERAL_POA volatility profile\n 'EVERYWHERE', 'PT_OTHER' ,'PMOCN2' ,'VROCN2OXY2' ,'GAS' ,0. ,'MASS','a', \n 'EVERYWHERE', 'PT_OTHER' ,'PMNCOMN2','VROCN2OXY2' ,'GAS' ,0. ,'MASS','a', \n 'EVERYWHERE', 'PT_OTHER' ,'PMOCN2' ,'VROCP0OXY2' ,'GAS' ,0.175,'MASS','a', \n 'EVERYWHERE', 'PT_OTHER' ,'PMNCOMN2','VROCP0OXY2' ,'GAS' ,0.175,'MASS','a', \n 'EVERYWHERE', 'PT_OTHER' ,'PMOCN2' ,'VROCP1OXY1' ,'GAS' ,0.091,'MASS','a', \n 'EVERYWHERE', 'PT_OTHER' ,'PMNCOMN2','VROCP1OXY1' ,'GAS' ,0.091,'MASS','a', \n 'EVERYWHERE', 'PT_OTHER' ,'PMOCN2' ,'VROCP2OXY2' ,'GAS' ,0.100,'MASS','a', \n 'EVERYWHERE', 'PT_OTHER' ,'PMNCOMN2','VROCP2OXY2' ,'GAS' ,0.100,'MASS','a', \n 'EVERYWHERE', 'PT_OTHER' ,'PMOCN2' ,'VROCP3OXY2' ,'GAS' ,0.100,'MASS','a', \n 'EVERYWHERE', 'PT_OTHER' ,'PMNCOMN2','VROCP3OXY2' ,'GAS' ,0.100,'MASS','a', \n 'EVERYWHERE', 'PT_OTHER' ,'PMOCN2' ,'AROCN2OXY2' ,'FINE',0.35 ,'MASS','a', \n 'EVERYWHERE', 'PT_OTHER' ,'PMNCOMN2','AROCN2OXY2' ,'FINE',0.35 ,'MASS','a', \n 'EVERYWHERE', 'PT_OTHER' ,'PMOCN2','AROCP0OXY2' ,'FINE',0.175,'MASS','a', \n 'EVERYWHERE', 'PT_OTHER' ,'PMNCOMN2','AROCP0OXY2' ,'FINE',0.175,'MASS','a', \n 'EVERYWHERE', 'PT_OTHER' ,'PMOCN2' ,'AROCP1OXY1' ,'FINE',0.009,'MASS','a', \n 'EVERYWHERE', 'PT_OTHER' ,'PMNCOMN2','AROCP1OXY1' ,'FINE',0.009,'MASS','a', \n 'EVERYWHERE', 'PT_OTHER' ,'PMOCN2' ,'AROCP2OXY2' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'PT_OTHER' ,'PMNCOMN2','AROCP2OXY2' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'PT_OTHER' ,'PMOCN2' ,'VROCP3OXY2' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'PT_OTHER' ,'PMNCOMN2','VROCP3OXY2' ,'FINE',0. ,'MASS','a', \n\n ! GENERAL_POA volatility profile\n 'EVERYWHERE', 'PT_OILGAS' ,'PMOCN2' ,'VROCN2OXY2' ,'GAS' ,0. ,'MASS','a', \n 'EVERYWHERE', 'PT_OILGAS' ,'PMNCOMN2','VROCN2OXY2' ,'GAS' ,0. ,'MASS','a', \n 'EVERYWHERE', 'PT_OILGAS' ,'PMOCN2' ,'VROCP0OXY2' ,'GAS' ,0.175,'MASS','a', \n 'EVERYWHERE', 'PT_OILGAS' ,'PMNCOMN2','VROCP0OXY2' ,'GAS' ,0.175,'MASS','a', \n 'EVERYWHERE', 'PT_OILGAS' ,'PMOCN2' ,'VROCP1OXY1' ,'GAS' ,0.091,'MASS','a', \n 'EVERYWHERE', 'PT_OILGAS' ,'PMNCOMN2','VROCP1OXY1' ,'GAS' ,0.091,'MASS','a', \n 'EVERYWHERE', 'PT_OILGAS' ,'PMOCN2' ,'VROCP2OXY2' ,'GAS' ,0.100,'MASS','a', \n 'EVERYWHERE', 'PT_OILGAS' ,'PMNCOMN2','VROCP2OXY2' ,'GAS' ,0.100,'MASS','a', \n 'EVERYWHERE', 'PT_OILGAS' ,'PMOCN2' ,'VROCP3OXY2' ,'GAS' ,0.100,'MASS','a', \n 'EVERYWHERE', 'PT_OILGAS' ,'PMNCOMN2','VROCP3OXY2' ,'GAS' ,0.100,'MASS','a', \n 'EVERYWHERE', 'PT_OILGAS' ,'PMOCN2' ,'AROCN2OXY2' ,'FINE',0.35 ,'MASS','a', \n 'EVERYWHERE', 'PT_OILGAS' ,'PMNCOMN2','AROCN2OXY2' ,'FINE',0.35 ,'MASS','a', \n 'EVERYWHERE', 'PT_OILGAS' ,'PMOCN2','AROCP0OXY2' ,'FINE',0.175,'MASS','a', \n 'EVERYWHERE', 'PT_OILGAS' ,'PMNCOMN2','AROCP0OXY2' ,'FINE',0.175,'MASS','a', \n 'EVERYWHERE', 'PT_OILGAS' ,'PMOCN2' ,'AROCP1OXY1' ,'FINE',0.009,'MASS','a', \n 'EVERYWHERE', 'PT_OILGAS' ,'PMNCOMN2','AROCP1OXY1' ,'FINE',0.009,'MASS','a', \n 'EVERYWHERE', 'PT_OILGAS' ,'PMOCN2' ,'AROCP2OXY2' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'PT_OILGAS' ,'PMNCOMN2','AROCP2OXY2' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'PT_OILGAS' ,'PMOCN2' ,'VROCP3OXY2' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'PT_OILGAS' ,'PMNCOMN2','VROCP3OXY2' ,'FINE',0. ,'MASS','a', \n\n ! Diesel Family Volatility Distribution (Mostly Onroad and Offroad Sources and CMV)\n ! Diesel profile based on Lu et al. 2020 https://doi.org/10.5194/acp-20-4313-2020\n 'EVERYWHERE', 'PT_CMV_C1C2' ,'PMOCN2' ,'AROCN1ALK' ,'FINE',0.187,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C1C2' ,'PMNCOMN2','AROCN1ALK' ,'FINE',0.187,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C1C2' ,'PMOCN2' ,'AROCP0ALK' ,'FINE',0.043,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C1C2' ,'PMNCOMN2','AROCP0ALK' ,'FINE',0.043,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C1C2' ,'PMOCN2' ,'VROCP0ALK' ,'GAS' ,0.043,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C1C2' ,'PMNCOMN2','VROCP0ALK' ,'GAS' ,0.043,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C1C2' ,'PMOCN2' ,'VROCP1ALK' ,'GAS' ,0.364,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C1C2' ,'PMNCOMN2','VROCP1ALK' ,'GAS' ,0.364,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C1C2' ,'PMOCN2' ,'VROCP2ALK' ,'GAS' ,0.363,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C1C2' ,'PMNCOMN2','VROCP2ALK' ,'GAS' ,0.363,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C1C2' ,'PMOCN2' ,'VROCP3ALK' ,'GAS' ,0.0 ,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C1C2' ,'PMNCOMN2','VROCP3ALK' ,'GAS' ,0.0 ,'MASS','a',\n\n 'EVERYWHERE', 'PT_CMV_C1C2' ,'NMOG' ,'VROCP3ALK' ,'GAS' ,0.0536,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C1C2' ,'NMOG' ,'VROCP4ALK' ,'GAS' ,0.1486,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C1C2' ,'NMOG' ,'VROCP5ALK' ,'GAS' ,0.1869,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C1C2' ,'NMOG' ,'VROCP6ALK' ,'GAS' ,0.1588,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C1C2' ,'NMOG' ,'VROCP5ARO' ,'GAS' ,0.0043,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C1C2' ,'NMOG' ,'VROCP6ARO' ,'GAS' ,0.0025,'MASS','a',\n\n ! Diesel volatility profile\n 'EVERYWHERE', 'PT_CMV_C3' ,'PMOCN2' ,'AROCN1ALK' ,'FINE',0.187,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C3' ,'PMNCOMN2','AROCN1ALK' ,'FINE',0.187,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C3' ,'PMOCN2' ,'AROCP0ALK' ,'FINE',0.043,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C3' ,'PMNCOMN2','AROCP0ALK' ,'FINE',0.043,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C3' ,'PMOCN2' ,'VROCP0ALK' ,'GAS' ,0.043,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C3' ,'PMNCOMN2','VROCP0ALK' ,'GAS' ,0.043,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C3' ,'PMOCN2' ,'VROCP1ALK' ,'GAS' ,0.364,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C3' ,'PMNCOMN2','VROCP1ALK' ,'GAS' ,0.364,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C3' ,'PMOCN2' ,'VROCP2ALK' ,'GAS' ,0.363,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C3' ,'PMNCOMN2','VROCP2ALK' ,'GAS' ,0.363,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C3' ,'PMOCN2' ,'VROCP3ALK' ,'GAS' ,0.0 ,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C3' ,'PMNCOMN2','VROCP3ALK' ,'GAS' ,0.0 ,'MASS','a',\n\n 'EVERYWHERE', 'PT_CMV_C3' ,'NMOG' ,'VROCP3ALK' ,'GAS' ,0.0536,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C3' ,'NMOG' ,'VROCP4ALK' ,'GAS' ,0.1486,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C3' ,'NMOG' ,'VROCP5ALK' ,'GAS' ,0.1869,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C3' ,'NMOG' ,'VROCP6ALK' ,'GAS' ,0.1588,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C3' ,'NMOG' ,'VROCP5ARO' ,'GAS' ,0.0043,'MASS','a',\n 'EVERYWHERE', 'PT_CMV_C3' ,'NMOG' ,'VROCP6ARO' ,'GAS' ,0.0025,'MASS','a',\n\n\n ! --> Semivolatile POA - Use Woody et al. 2016 biomass burning for Fires\n ! O:C ratio of 0.4 (or similar) used based on OM/OC of 1.7 and \n ! Canagaratna et al. 2015 ACP relationship (OM/OC =1.29*O:C+1.17)\n 'EVERYWHERE', 'PT_AGFIRES' ,'PMOCN2' ,'VROCN2OXY4' ,'GAS' ,0. ,'MASS','a', \n 'EVERYWHERE', 'PT_AGFIRES' ,'PMNCOMN2','VROCN2OXY4' ,'GAS' ,0. ,'MASS','a', \n 'EVERYWHERE', 'PT_AGFIRES' ,'PMOCN2' ,'VROCP0OXY4' ,'GAS' ,0.05 ,'MASS','a', \n 'EVERYWHERE', 'PT_AGFIRES' ,'PMNCOMN2','VROCP0OXY4' ,'GAS' ,0.05 ,'MASS','a', \n 'EVERYWHERE', 'PT_AGFIRES' ,'PMOCN2' ,'VROCP1OXY3' ,'GAS' ,0.091,'MASS','a', \n 'EVERYWHERE', 'PT_AGFIRES' ,'PMNCOMN2','VROCP1OXY3' ,'GAS' ,0.091,'MASS','a', \n 'EVERYWHERE', 'PT_AGFIRES' ,'PMOCN2' ,'VROCP2OXY2' ,'GAS' ,0.200,'MASS','a', \n 'EVERYWHERE', 'PT_AGFIRES' ,'PMNCOMN2','VROCP2OXY2' ,'GAS' ,0.200,'MASS','a', \n 'EVERYWHERE', 'PT_AGFIRES' ,'PMOCN2' ,'VROCP3OXY2' ,'GAS' ,0.400,'MASS','a', \n 'EVERYWHERE', 'PT_AGFIRES' ,'PMNCOMN2','VROCP3OXY2' ,'GAS' ,0.400,'MASS','a', \n 'EVERYWHERE', 'PT_AGFIRES' ,'PMOCN2' ,'AROCN2OXY4' ,'FINE',0.20 ,'MASS','a', \n 'EVERYWHERE', 'PT_AGFIRES' ,'PMNCOMN2','AROCN2OXY4' ,'FINE',0.20 ,'MASS','a', \n 'EVERYWHERE', 'PT_AGFIRES' ,'PMOCN2','AROCP0OXY4' ,'FINE',0.05 ,'MASS','a', \n 'EVERYWHERE', 'PT_AGFIRES' ,'PMNCOMN2','AROCP0OXY4' ,'FINE',0.05 ,'MASS','a', \n 'EVERYWHERE', 'PT_AGFIRES' ,'PMOCN2' ,'AROCP1OXY3' ,'FINE',0.009,'MASS','a', \n 'EVERYWHERE', 'PT_AGFIRES' ,'PMNCOMN2','AROCP1OXY3' ,'FINE',0.009,'MASS','a', \n 'EVERYWHERE', 'PT_AGFIRES' ,'PMOCN2' ,'AROCP2OXY2' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'PT_AGFIRES' ,'PMNCOMN2','AROCP2OXY2' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'PT_AGFIRES' ,'PMOCN2' ,'VROCP3OXY2' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'PT_AGFIRES' ,'PMNCOMN2','VROCP3OXY2' ,'FINE',0. ,'MASS','a',\n\n ! Biomass burning volatility profile\n 'EVERYWHERE', 'PT_FIRES' ,'PMOCN2' ,'VROCN2OXY4' ,'GAS' ,0. ,'MASS','a', \n 'EVERYWHERE', 'PT_FIRES' ,'PMNCOMN2','VROCN2OXY4' ,'GAS' ,0. ,'MASS','a', \n 'EVERYWHERE', 'PT_FIRES' ,'PMOCN2' ,'VROCP0OXY4' ,'GAS' ,0.05 ,'MASS','a', \n 'EVERYWHERE', 'PT_FIRES' ,'PMNCOMN2','VROCP0OXY4' ,'GAS' ,0.05 ,'MASS','a', \n 'EVERYWHERE', 'PT_FIRES' ,'PMOCN2' ,'VROCP1OXY3' ,'GAS' ,0.091,'MASS','a', \n 'EVERYWHERE', 'PT_FIRES' ,'PMNCOMN2','VROCP1OXY3' ,'GAS' ,0.091,'MASS','a', \n 'EVERYWHERE', 'PT_FIRES' ,'PMOCN2' ,'VROCP2OXY2' ,'GAS' ,0.200,'MASS','a', \n 'EVERYWHERE', 'PT_FIRES' ,'PMNCOMN2','VROCP2OXY2' ,'GAS' ,0.200,'MASS','a', \n 'EVERYWHERE', 'PT_FIRES' ,'PMOCN2' ,'VROCP3OXY2' ,'GAS' ,0.400,'MASS','a', \n 'EVERYWHERE', 'PT_FIRES' ,'PMNCOMN2','VROCP3OXY2' ,'GAS' ,0.400,'MASS','a', \n 'EVERYWHERE', 'PT_FIRES' ,'PMOCN2' ,'AROCN2OXY4' ,'FINE',0.20 ,'MASS','a', \n 'EVERYWHERE', 'PT_FIRES' ,'PMNCOMN2','AROCN2OXY4' ,'FINE',0.20 ,'MASS','a', \n 'EVERYWHERE', 'PT_FIRES' ,'PMOCN2','AROCP0OXY4' ,'FINE',0.05 ,'MASS','a', \n 'EVERYWHERE', 'PT_FIRES' ,'PMNCOMN2','AROCP0OXY4' ,'FINE',0.05 ,'MASS','a', \n 'EVERYWHERE', 'PT_FIRES' ,'PMOCN2' ,'AROCP1OXY3' ,'FINE',0.009,'MASS','a', \n 'EVERYWHERE', 'PT_FIRES' ,'PMNCOMN2','AROCP1OXY3' ,'FINE',0.009,'MASS','a', \n 'EVERYWHERE', 'PT_FIRES' ,'PMOCN2' ,'AROCP2OXY2' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'PT_FIRES' ,'PMNCOMN2','AROCP2OXY2' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'PT_FIRES' ,'PMOCN2' ,'VROCP3OXY2' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'PT_FIRES' ,'PMNCOMN2','VROCP3OXY2' ,'FINE',0. ,'MASS','a',\n\n ! Biomass burning volatility profile\n 'EVERYWHERE', 'PT_RXFIRES' ,'PMOCN2' ,'VROCN2OXY4' ,'GAS' ,0. ,'MASS','a', \n 'EVERYWHERE', 'PT_RXFIRES' ,'PMNCOMN2','VROCN2OXY4' ,'GAS' ,0. ,'MASS','a', \n 'EVERYWHERE', 'PT_RXFIRES' ,'PMOCN2' ,'VROCP0OXY4' ,'GAS' ,0.05 ,'MASS','a', \n 'EVERYWHERE', 'PT_RXFIRES' ,'PMNCOMN2','VROCP0OXY4' ,'GAS' ,0.05 ,'MASS','a', \n 'EVERYWHERE', 'PT_RXFIRES' ,'PMOCN2' ,'VROCP1OXY3' ,'GAS' ,0.091,'MASS','a', \n 'EVERYWHERE', 'PT_RXFIRES' ,'PMNCOMN2','VROCP1OXY3' ,'GAS' ,0.091,'MASS','a', \n 'EVERYWHERE', 'PT_RXFIRES' ,'PMOCN2' ,'VROCP2OXY2' ,'GAS' ,0.200,'MASS','a', \n 'EVERYWHERE', 'PT_RXFIRES' ,'PMNCOMN2','VROCP2OXY2' ,'GAS' ,0.200,'MASS','a', \n 'EVERYWHERE', 'PT_RXFIRES' ,'PMOCN2' ,'VROCP3OXY2' ,'GAS' ,0.400,'MASS','a', \n 'EVERYWHERE', 'PT_RXFIRES' ,'PMNCOMN2','VROCP3OXY2' ,'GAS' ,0.400,'MASS','a', \n 'EVERYWHERE', 'PT_RXFIRES' ,'PMOCN2' ,'AROCN2OXY4' ,'FINE',0.20 ,'MASS','a', \n 'EVERYWHERE', 'PT_RXFIRES' ,'PMNCOMN2','AROCN2OXY4' ,'FINE',0.20 ,'MASS','a', \n 'EVERYWHERE', 'PT_RXFIRES' ,'PMOCN2','AROCP0OXY4' ,'FINE',0.05 ,'MASS','a', \n 'EVERYWHERE', 'PT_RXFIRES' ,'PMNCOMN2','AROCP0OXY4' ,'FINE',0.05 ,'MASS','a', \n 'EVERYWHERE', 'PT_RXFIRES' ,'PMOCN2' ,'AROCP1OXY3' ,'FINE',0.009,'MASS','a', \n 'EVERYWHERE', 'PT_RXFIRES' ,'PMNCOMN2','AROCP1OXY3' ,'FINE',0.009,'MASS','a', \n 'EVERYWHERE', 'PT_RXFIRES' ,'PMOCN2' ,'AROCP2OXY2' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'PT_RXFIRES' ,'PMNCOMN2','AROCP2OXY2' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'PT_RXFIRES' ,'PMOCN2' ,'VROCP3OXY2' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'PT_RXFIRES' ,'PMNCOMN2','VROCP3OXY2' ,'FINE',0. ,'MASS','a',\n \n ! Biomass burning volatility profile\n 'EVERYWHERE', 'PT_OTHFIRES' ,'PMOCN2' ,'VROCN2OXY4' ,'GAS' ,0. ,'MASS','a', \n 'EVERYWHERE', 'PT_OTHFIRES' ,'PMNCOMN2','VROCN2OXY4' ,'GAS' ,0. ,'MASS','a', \n 'EVERYWHERE', 'PT_OTHFIRES' ,'PMOCN2' ,'VROCP0OXY4' ,'GAS' ,0.05 ,'MASS','a', \n 'EVERYWHERE', 'PT_OTHFIRES' ,'PMNCOMN2','VROCP0OXY4' ,'GAS' ,0.05 ,'MASS','a', \n 'EVERYWHERE', 'PT_OTHFIRES' ,'PMOCN2' ,'VROCP1OXY3' ,'GAS' ,0.091,'MASS','a', \n 'EVERYWHERE', 'PT_OTHFIRES' ,'PMNCOMN2','VROCP1OXY3' ,'GAS' ,0.091,'MASS','a', \n 'EVERYWHERE', 'PT_OTHFIRES' ,'PMOCN2' ,'VROCP2OXY2' ,'GAS' ,0.200,'MASS','a', \n 'EVERYWHERE', 'PT_OTHFIRES' ,'PMNCOMN2','VROCP2OXY2' ,'GAS' ,0.200,'MASS','a', \n 'EVERYWHERE', 'PT_OTHFIRES' ,'PMOCN2' ,'VROCP3OXY2' ,'GAS' ,0.400,'MASS','a', \n 'EVERYWHERE', 'PT_OTHFIRES' ,'PMNCOMN2','VROCP3OXY2' ,'GAS' ,0.400,'MASS','a', \n 'EVERYWHERE', 'PT_OTHFIRES' ,'PMOCN2' ,'AROCN2OXY4' ,'FINE',0.20 ,'MASS','a', \n 'EVERYWHERE', 'PT_OTHFIRES' ,'PMNCOMN2','AROCN2OXY4' ,'FINE',0.20 ,'MASS','a', \n 'EVERYWHERE', 'PT_OTHFIRES' ,'PMOCN2','AROCP0OXY4' ,'FINE',0.05 ,'MASS','a', \n 'EVERYWHERE', 'PT_OTHFIRES' ,'PMNCOMN2','AROCP0OXY4' ,'FINE',0.05 ,'MASS','a', \n 'EVERYWHERE', 'PT_OTHFIRES' ,'PMOCN2' ,'AROCP1OXY3' ,'FINE',0.009,'MASS','a', \n 'EVERYWHERE', 'PT_OTHFIRES' ,'PMNCOMN2','AROCP1OXY3' ,'FINE',0.009,'MASS','a', \n 'EVERYWHERE', 'PT_OTHFIRES' ,'PMOCN2' ,'AROCP2OXY2' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'PT_OTHFIRES' ,'PMNCOMN2','AROCP2OXY2' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'PT_OTHFIRES' ,'PMOCN2' ,'VROCP3OXY2' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'PT_OTHFIRES' ,'PMNCOMN2','VROCP3OXY2' ,'FINE',0. ,'MASS','a',\n \n ! Biomass burning volatility profile\n 'EVERYWHERE', 'GR_RES_FIRES' ,'PMOCN2' ,'VROCN2OXY4' ,'GAS' ,0. ,'MASS','a', \n 'EVERYWHERE', 'GR_RES_FIRES' ,'PMNCOMN2','VROCN2OXY4' ,'GAS' ,0. ,'MASS','a', \n 'EVERYWHERE', 'GR_RES_FIRES' ,'PMOCN2' ,'VROCP0OXY4' ,'GAS' ,0.05 ,'MASS','a', \n 'EVERYWHERE', 'GR_RES_FIRES' ,'PMNCOMN2','VROCP0OXY4' ,'GAS' ,0.05 ,'MASS','a', \n 'EVERYWHERE', 'GR_RES_FIRES' ,'PMOCN2' ,'VROCP1OXY3' ,'GAS' ,0.091,'MASS','a', \n 'EVERYWHERE', 'GR_RES_FIRES' ,'PMNCOMN2','VROCP1OXY3' ,'GAS' ,0.091,'MASS','a', \n 'EVERYWHERE', 'GR_RES_FIRES' ,'PMOCN2' ,'VROCP2OXY2' ,'GAS' ,0.200,'MASS','a', \n 'EVERYWHERE', 'GR_RES_FIRES' ,'PMNCOMN2','VROCP2OXY2' ,'GAS' ,0.200,'MASS','a', \n 'EVERYWHERE', 'GR_RES_FIRES' ,'PMOCN2' ,'VROCP3OXY2' ,'GAS' ,0.400,'MASS','a', \n 'EVERYWHERE', 'GR_RES_FIRES' ,'PMNCOMN2','VROCP3OXY2' ,'GAS' ,0.400,'MASS','a', \n 'EVERYWHERE', 'GR_RES_FIRES' ,'PMOCN2' ,'AROCN2OXY4' ,'FINE',0.20 ,'MASS','a', \n 'EVERYWHERE', 'GR_RES_FIRES' ,'PMNCOMN2','AROCN2OXY4' ,'FINE',0.20 ,'MASS','a', \n 'EVERYWHERE', 'GR_RES_FIRES' ,'PMOCN2','AROCP0OXY4' ,'FINE',0.05 ,'MASS','a', \n 'EVERYWHERE', 'GR_RES_FIRES' ,'PMNCOMN2','AROCP0OXY4' ,'FINE',0.05 ,'MASS','a', \n 'EVERYWHERE', 'GR_RES_FIRES' ,'PMOCN2' ,'AROCP1OXY3' ,'FINE',0.009,'MASS','a', \n 'EVERYWHERE', 'GR_RES_FIRES' ,'PMNCOMN2','AROCP1OXY3' ,'FINE',0.009,'MASS','a', \n 'EVERYWHERE', 'GR_RES_FIRES' ,'PMOCN2' ,'AROCP2OXY2' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'GR_RES_FIRES' ,'PMNCOMN2','AROCP2OXY2' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'GR_RES_FIRES' ,'PMOCN2' ,'VROCP3OXY2' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'GR_RES_FIRES' ,'PMNCOMN2','VROCP3OXY2' ,'FINE',0. ,'MASS','a',\n \n \n! ! Gasoline-Source Volatility Distribution (Mostly Onroad and Offroad Vehicles)\n! ! Gasoline profile based on Lu et al. 2020 https://doi.org/10.5194/acp-20-4313-2020\n! 'EVERYWHERE', 'GRIDDED_GASOLINE','PMOCN2' ,'AROCN1ALK' ,'FINE',0.228,'MASS','a', \n! 'EVERYWHERE', 'GRIDDED_GASOLINE','PMNCOMN2','AROCN1ALK' ,'FINE',0.228,'MASS','a', \n! 'EVERYWHERE', 'GRIDDED_GASOLINE','PMOCN2' ,'AROCP0ALK' ,'FINE',0.054,'MASS','a', \n! 'EVERYWHERE', 'GRIDDED_GASOLINE','PMNCOMN2','AROCP0ALK' ,'FINE',0.054,'MASS','a', \n! 'EVERYWHERE', 'GRIDDED_GASOLINE','PMOCN2' ,'VROCP0ALK' ,'GAS' ,0.054,'MASS','a', \n! 'EVERYWHERE', 'GRIDDED_GASOLINE','PMNCOMN2','VROCP0ALK' ,'GAS' ,0.054,'MASS','a', \n! 'EVERYWHERE', 'GRIDDED_GASOLINE','PMOCN2' ,'VROCP1ALK' ,'GAS' ,0.515,'MASS','a', \n! 'EVERYWHERE', 'GRIDDED_GASOLINE','PMNCOMN2','VROCP1ALK' ,'GAS' ,0.515,'MASS','a', \n! 'EVERYWHERE', 'GRIDDED_GASOLINE','PMOCN2' ,'VROCP2ALK' ,'GAS' ,0.550,'MASS','a', \n! 'EVERYWHERE', 'GRIDDED_GASOLINE','PMNCOMN2','VROCP2ALK' ,'GAS' ,0.550,'MASS','a', \n! 'EVERYWHERE', 'GRIDDED_GASOLINE','PMOCN2 ' ,'VROCP3ALK' ,'GAS' ,0.0 ,'MASS','a', \n! 'EVERYWHERE', 'GRIDDED_GASOLINE','PMNCOMN2','VROCP3ALK' ,'GAS' ,0.0 ,'MASS','a', \n!\n! 'EVERYWHERE', 'GRIDDED_GASOLINE','NMOG' ,'VROCP3ALK' ,'GAS' ,0.0032,'MASS','a',\n! 'EVERYWHERE', 'GRIDDED_GASOLINE','NMOG' ,'VROCP4ALK' ,'GAS' ,0.0034,'MASS','a',\n! 'EVERYWHERE', 'GRIDDED_GASOLINE','NMOG' ,'VROCP5ALK' ,'GAS' ,0.0019,'MASS','a',\n! 'EVERYWHERE', 'GRIDDED_GASOLINE','NMOG' ,'VROCP6ALK' ,'GAS' ,0.0064,'MASS','a',\n! 'EVERYWHERE', 'GRIDDED_GASOLINE','NMOG' ,'VROCP5ARO' ,'GAS' ,0.0060,'MASS','a',\n! 'EVERYWHERE', 'GRIDDED_GASOLINE','NMOG' ,'VROCP6ARO' ,'GAS' ,0.0253,'MASS','a',\n\n \n! ! Aircraft Family Turbine Engine Volatility Distribution\n! ! Aircraft profile based on Lu et al. 2020 https://doi.org/10.5194/acp-20-4313-2020\n! 'EVERYWHERE', 'AIRCRAFT' ,'PMOCN2' ,'AROCN1ALK' ,'FINE',0.149,'MASS','a', \n! 'EVERYWHERE', 'AIRCRAFT' ,'PMNCOMN2','AROCN1ALK' ,'FINE',0.149,'MASS','a', \n! 'EVERYWHERE', 'AIRCRAFT' ,'PMOCN2' ,'AROCP0ALK' ,'FINE',0.130,'MASS','a', \n! 'EVERYWHERE', 'AIRCRAFT' ,'PMNCOMN2','AROCP0ALK' ,'FINE',0.130,'MASS','a', \n! 'EVERYWHERE', 'AIRCRAFT' ,'PMOCN2' ,'VROCP0ALK' ,'GAS' ,0.130,'MASS','a', \n! 'EVERYWHERE', 'AIRCRAFT' ,'PMNCOMN2','VROCP0ALK' ,'GAS' ,0.130,'MASS','a', \n! 'EVERYWHERE', 'AIRCRAFT' ,'PMOCN2' ,'VROCP1ALK' ,'GAS' ,0.384,'MASS','a', \n! 'EVERYWHERE', 'AIRCRAFT' ,'PMNCOMN2','VROCP1ALK' ,'GAS' ,0.384,'MASS','a', \n! 'EVERYWHERE', 'AIRCRAFT' ,'PMOCN2' ,'VROCP2ALK' ,'GAS' ,0.208,'MASS','a', \n! 'EVERYWHERE', 'AIRCRAFT' ,'PMNCOMN2','VROCP2ALK' ,'GAS' ,0.208,'MASS','a', \n! 'EVERYWHERE', 'AIRCRAFT' ,'PMOCN2' ,'VROCP3ALK' ,'GAS' ,0.0 ,'MASS','a', \n! 'EVERYWHERE', 'AIRCRAFT' ,'PMNCOMN2','VROCP3ALK' ,'GAS' ,0.0 ,'MASS','a', \n\n ! Volatility resolved CRACMM semivolatile POA\n 'EVERYWHERE', 'ALL' ,'POCN2' ,'AROCN2ALK' ,'FINE',1.0,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'POCN1' ,'AROCN1ALK' ,'FINE',1.0,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'POCP0' ,'AROCP0ALK' ,'FINE',1.0,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'POCP1' ,'AROCP1ALK' ,'FINE',1.0,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'POCP2' ,'AROCP2ALK' ,'FINE',1.0,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PNCOMN2' ,'AROCN2ALK' ,'FINE',1.0,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PNCOMN1' ,'AROCN1ALK' ,'FINE',1.0,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PNCOMP0' ,'AROCP0ALK' ,'FINE',1.0,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PNCOMP1' ,'AROCP1ALK' ,'FINE',1.0,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PNCOMP2' ,'AROCP2ALK' ,'FINE',1.0,'UNIT','a', \n\n ! pcSOA is a CMAQ species introduced to account for missing pathways for SOA\n ! formation from combustion sources. It includes IVOC oxidation as well as other\n ! phenomena (Murphy et al., ACP, 2017). It was parameterized primarily in LA,\n ! where vehicle exhaust continues to dominate.\n ! pcSOA is deprecated in CRACMM\n\n ! Wind-Blown Dust and Sea Spray Scaling\n ! Fine Components\n 'EVERYWHERE', 'ALL' ,'PMFINE_SO4' ,'ASO4' ,'FINE',1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'PMFINE_NO3' ,'ANO3' ,'FINE',1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'PMFINE_CL' ,'ACL' ,'FINE',1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'PMFINE_NH4' ,'ANH4' ,'FINE',1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'PMFINE_NA' ,'ANA' ,'FINE',1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'PMFINE_CA' ,'ACA' ,'FINE',1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'PMFINE_MG' ,'AMG' ,'FINE',1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'PMFINE_K' ,'AK' ,'FINE',1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'PMFINE_FE' ,'AFE' ,'FINE',1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'PMFINE_AL' ,'AAL' ,'FINE',1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'PMFINE_SI' ,'ASI' ,'FINE',1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'PMFINE_TI' ,'ATI' ,'FINE',1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'PMFINE_MN' ,'AMN' ,'FINE',1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'PMFINE_H2O' ,'AH2O' ,'FINE',1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'PMFINE_OTHR' ,'AOTHR' ,'FINE',1. ,'UNIT','a',\n\n\n ! Wind-Blown Dust and Sea Spray Scaling\n ! Coarse Components\n 'EVERYWHERE', 'ALL' ,'PMCOARSE_SO4','ASO4' ,'COARSE',1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'PMCOARSE_NO3','ANO3' ,'COARSE',1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'PMCOARSE_CL' ,'ACL' ,'COARSE',1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'PMCOARSE_H2O','AH2O' ,'COARSE',1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'PMCOARSE_SOIL','ASOIL' ,'COARSE',1. ,'UNIT','a',\n 'EVERYWHERE', 'ALL' ,'PMCOARSE_SEACAT','ASEACAT' ,'COARSE',1. ,'UNIT','a',\n\n/\n" }, { "path": "CCTM/src/MECHS/cracmm2/CSQY_DATA_cracmm2", "content": "Table for Mechanism = CRACMM2 \nNPHOTAB = 32\n!Individual rates listed below:\nO3O3P_NASA06 \nO3O1D_NASA06 \nH2O2_RACM2 \nNO2_RACM2 \nNO3NO_RACM2 \nNO3NO2_RACM2 \nHONO_RACM2 \nHNO3_RACM2 \nHNO4_RACM2 \nHCHO_MOL_JPL19 \nHCHO_RAD_JPL19 \nCH3CHO_RACM2 \nALD_JPL19 \nCH3COCH3A_JPL19 \nCH3COCH3B_JPL19 \nUALD_RACM2 \nMEK_JGR19 \nKET_JGR19 \nHKET_RACM2 \nMACR_RACM2 \nMVK_RACM2 \nGLYH2_RACM2 \nGLYF_RACM2 \nGLYHX_RACM2 \nMGLY_RACM2 \nBALD_RACM2 \nOP1_RACM2 \nPAA_RACM2 \nONIT_RACM2 \nPAN1_RACM2 \nPAN2_RACM2 \nACRO_09 \nNTEMP = 6\n! I TEMP( I ) K\n 1 210.00\n 2 230.00\n 3 250.00\n 4 270.00\n 5 290.00\n 6 310.00\n! Wavelength and Photolysis Rate Parameters for CMAQ In-Line Photolysis\n! calculation . The values are determined by averaging technique over the below\n! number of wavelength bins. The technique employs an approach used by the FASTJX\n! versions 6 and 7.\n!References:\n! 1) Bian, H. S. and Prather, M. J.: Fast-J2: accurate simulation of stratospheric\n! photolysis in global chemical models, J. Atmos. Chem., 41, 281-296\n doi:10.1023/A:1014980619462, 2002.\n! 2) Hsu, J. and Prather, M. J.: Stratospheric variability and tropospheric ozone,\n! J. Geophys. Res., 114, D06102, doi:10.1029/2008JD010942, 2009.\n! 3) Prather, M. J.: Fast-JX versions and utilities, available at:\n! http://www.ess.uci.edu/researchgrp/prather/scholar_software/fast-jx\n! (last accessed: 24 January 2014), 2014.\n! Wave bands and Solar Flux\n! \nN_INLINE_BAND = 7\n! I, START_WL_BIN(nm), EFFECT_WL_BIN_(nm), END_WL_BIN_(nm), photon_flux(cm-2*s-1), \n 1, 291.000, 294.590, 298.300, 5.8828E+14, \n 2, 298.300, 303.151, 307.500, 7.6354E+14, \n 3, 307.500, 310.007, 312.500, 5.0412E+14, \n 4, 312.500, 316.434, 320.300, 8.9628E+14, \n 5, 320.300, 333.076, 345.000, 3.8537E+15, \n 6, 345.000, 381.997, 412.500, 1.5457E+16, \n 7, 412.500, 607.723, 850.000, 2.1307E+17, \n!... CS = absorption cross sections averaged over UCI Solar Flux\n!... QY = quantum yields averaged over UCI Solar Flux\n!... EQY = eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n!PHOTAB QUANTITY TEMP WBIN( 1) WBIN( 2) WBIN( 3) WBIN( 4) WBIN( 5) WBIN( 6) WBIN( 7)\nO3O3P_NASA06 CS 210.000 7.688467E-19 2.422055E-19 8.920470E-20 3.650450E-20 4.746825E-21 6.139220E-23 1.666851E-21\nO3O3P_NASA06 EQY 210.000 1.000000E-01 1.041791E-01 4.952917E-01 8.153871E-01 8.979595E-01 9.291306E-01 1.000000E+00\nO3O3P_NASA06 CS 230.000 7.803585E-19 2.474376E-19 9.195177E-20 3.806528E-20 5.075878E-21 6.139220E-23 1.666851E-21\nO3O3P_NASA06 EQY 230.000 1.000000E-01 1.041791E-01 4.902279E-01 8.178273E-01 8.979595E-01 9.291306E-01 1.000000E+00\nO3O3P_NASA06 CS 250.000 7.995448E-19 2.561579E-19 9.653022E-20 4.066658E-20 5.624299E-21 6.139220E-23 1.666851E-21\nO3O3P_NASA06 EQY 250.000 1.000000E-01 1.041791E-01 4.818958E-01 8.188244E-01 8.979595E-01 9.291306E-01 1.000000E+00\nO3O3P_NASA06 CS 270.000 8.187311E-19 2.648782E-19 1.011087E-19 4.326788E-20 6.172721E-21 6.139220E-23 1.666851E-21\nO3O3P_NASA06 EQY 270.000 1.000000E-01 1.041791E-01 4.677566E-01 8.131744E-01 8.979595E-01 9.291306E-01 1.000000E+00\nO3O3P_NASA06 CS 290.000 8.379175E-19 2.735984E-19 1.056871E-19 4.586918E-20 6.721143E-21 6.139220E-23 1.666851E-21\nO3O3P_NASA06 EQY 290.000 1.000000E-01 1.041791E-01 4.431264E-01 7.889175E-01 8.979595E-01 9.291306E-01 1.000000E+00\nO3O3P_NASA06 CS 310.000 8.407954E-19 2.749065E-19 1.063739E-19 4.625938E-20 6.803406E-21 6.139220E-23 1.666851E-21\nO3O3P_NASA06 EQY 310.000 1.000000E-01 1.041791E-01 3.989815E-01 7.203341E-01 8.979595E-01 9.291306E-01 1.000000E+00\nO3O1D_NASA06 CS 210.000 7.808049E-19 2.423500E-19 8.920470E-20 3.650450E-20 4.604240E-21 5.459842E-23 0.000000E+00\nO3O1D_NASA06 EQY 210.000 9.000000E-01 8.958209E-01 5.047083E-01 1.846129E-01 1.020405E-01 7.086939E-02 0.000000E+00\nO3O1D_NASA06 CS 230.000 7.924958E-19 2.475853E-19 9.195177E-20 3.806528E-20 4.923409E-21 5.459842E-23 0.000000E+00\nO3O1D_NASA06 EQY 230.000 9.000000E-01 8.958209E-01 5.097721E-01 1.821727E-01 1.020405E-01 7.086939E-02 0.000000E+00\nO3O1D_NASA06 CS 250.000 8.119805E-19 2.563108E-19 9.653022E-20 4.066658E-20 5.455358E-21 5.459842E-23 0.000000E+00\nO3O1D_NASA06 EQY 250.000 9.000000E-01 8.958209E-01 5.181042E-01 1.811756E-01 1.020405E-01 7.086939E-02 0.000000E+00\nO3O1D_NASA06 CS 270.000 8.314653E-19 2.650363E-19 1.011087E-19 4.326788E-20 5.987306E-21 5.459842E-23 0.000000E+00\nO3O1D_NASA06 EQY 270.000 9.000000E-01 8.958209E-01 5.322434E-01 1.868256E-01 1.020405E-01 7.086939E-02 0.000000E+00\nO3O1D_NASA06 CS 290.000 8.509500E-19 2.737617E-19 1.056871E-19 4.586918E-20 6.519254E-21 5.459842E-23 0.000000E+00\nO3O1D_NASA06 EQY 290.000 9.000000E-01 8.958209E-01 5.568736E-01 2.110825E-01 1.020405E-01 7.086939E-02 0.000000E+00\nO3O1D_NASA06 CS 310.000 8.538727E-19 2.750705E-19 1.063739E-19 4.625938E-20 6.599046E-21 5.459842E-23 0.000000E+00\nO3O1D_NASA06 EQY 310.000 9.000000E-01 8.958209E-01 6.010185E-01 2.796659E-01 1.020405E-01 7.086939E-02 0.000000E+00\nH2O2_RACM2 CS 210.000 8.527608E-21 5.100901E-21 3.367998E-21 2.275936E-21 8.877982E-22 3.606306E-23 0.000000E+00\nH2O2_RACM2 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nH2O2_RACM2 CS 230.000 8.650794E-21 5.196512E-21 3.446407E-21 2.339455E-21 9.231624E-22 3.606306E-23 0.000000E+00\nH2O2_RACM2 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nH2O2_RACM2 CS 250.000 8.817123E-21 5.325610E-21 3.552278E-21 2.425221E-21 9.709122E-22 3.606306E-23 0.000000E+00\nH2O2_RACM2 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nH2O2_RACM2 CS 270.000 9.028511E-21 5.489680E-21 3.686830E-21 2.534221E-21 1.031598E-21 3.606306E-23 0.000000E+00\nH2O2_RACM2 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nH2O2_RACM2 CS 290.000 9.284830E-21 5.688624E-21 3.849979E-21 2.666389E-21 1.105182E-21 3.606306E-23 0.000000E+00\nH2O2_RACM2 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nH2O2_RACM2 CS 310.000 9.584270E-21 5.921037E-21 4.040577E-21 2.820792E-21 1.191145E-21 3.606306E-23 0.000000E+00\nH2O2_RACM2 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nNO2_RACM2 CS 210.000 1.058805E-19 1.460434E-19 1.905840E-19 2.362586E-19 3.715161E-19 5.867486E-19 1.088657E-19\nNO2_RACM2 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 7.961922E-01 2.423882E-03\nNO2_RACM2 CS 230.000 1.060328E-19 1.459734E-19 1.901860E-19 2.350003E-19 3.679235E-19 5.852241E-19 1.085850E-19\nNO2_RACM2 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 7.961922E-01 2.423882E-03\nNO2_RACM2 CS 250.000 1.063375E-19 1.458335E-19 1.893902E-19 2.324836E-19 3.607383E-19 5.821752E-19 1.080235E-19\nNO2_RACM2 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 7.969987E-01 2.507727E-03\nNO2_RACM2 CS 270.000 1.066422E-19 1.456936E-19 1.885943E-19 2.299669E-19 3.535530E-19 5.791262E-19 1.074620E-19\nNO2_RACM2 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 8.050633E-01 3.346181E-03\nNO2_RACM2 CS 290.000 1.069468E-19 1.455536E-19 1.877985E-19 2.274503E-19 3.463678E-19 5.760772E-19 1.069005E-19\nNO2_RACM2 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 8.131279E-01 4.184634E-03\nNO2_RACM2 CS 310.000 1.070078E-19 1.455256E-19 1.876393E-19 2.269469E-19 3.449308E-19 5.754674E-19 1.067882E-19\nNO2_RACM2 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 8.163537E-01 4.520015E-03\nNO3NO_RACM2 CS 210.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 5.348470E-21 1.872219E-18\nNO3NO_RACM2 EQY 210.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 6.767835E-02\nNO3NO_RACM2 CS 230.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 5.075907E-21 1.776809E-18\nNO3NO_RACM2 EQY 230.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 6.699507E-02\nNO3NO_RACM2 CS 250.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.791067E-21 1.677102E-18\nNO3NO_RACM2 EQY 250.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 6.679738E-02\nNO3NO_RACM2 CS 270.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.498338E-21 1.574633E-18\nNO3NO_RACM2 EQY 270.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 6.659967E-02\nNO3NO_RACM2 CS 290.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.201227E-21 1.470630E-18\nNO3NO_RACM2 EQY 290.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 6.640198E-02\nNO3NO_RACM2 CS 310.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 3.902507E-21 1.366063E-18\nNO3NO_RACM2 EQY 310.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 6.632289E-02\nNO3NO2_RACM2 CS 210.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 5.348470E-21 1.872219E-18\nNO3NO2_RACM2 EQY 210.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00 5.038201E-01\nNO3NO2_RACM2 CS 230.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 5.075907E-21 1.776809E-18\nNO3NO2_RACM2 EQY 230.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00 5.129623E-01\nNO3NO2_RACM2 CS 250.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.791067E-21 1.677102E-18\nNO3NO2_RACM2 EQY 250.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00 5.207280E-01\nNO3NO2_RACM2 CS 270.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.498338E-21 1.574633E-18\nNO3NO2_RACM2 EQY 270.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00 5.284936E-01\nNO3NO2_RACM2 CS 290.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.201227E-21 1.470630E-18\nNO3NO2_RACM2 EQY 290.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00 5.362592E-01\nNO3NO2_RACM2 CS 310.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 3.902507E-21 1.366063E-18\nNO3NO2_RACM2 EQY 310.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00 5.393655E-01\nHONO_RACM2 CS 210.000 5.628977E-21 9.694364E-21 1.881716E-20 2.969466E-20 7.453932E-20 6.563367E-20 0.000000E+00\nHONO_RACM2 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHONO_RACM2 CS 230.000 5.628977E-21 9.694364E-21 1.881716E-20 2.969466E-20 7.453932E-20 6.563367E-20 0.000000E+00\nHONO_RACM2 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHONO_RACM2 CS 250.000 5.628977E-21 9.694364E-21 1.881716E-20 2.969466E-20 7.453932E-20 6.563367E-20 0.000000E+00\nHONO_RACM2 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHONO_RACM2 CS 270.000 5.628977E-21 9.694364E-21 1.881716E-20 2.969466E-20 7.453932E-20 6.563367E-20 0.000000E+00\nHONO_RACM2 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHONO_RACM2 CS 290.000 5.628977E-21 9.694364E-21 1.881716E-20 2.969466E-20 7.453932E-20 6.563367E-20 0.000000E+00\nHONO_RACM2 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHONO_RACM2 CS 310.000 5.628977E-21 9.694364E-21 1.881716E-20 2.969466E-20 7.453932E-20 6.563367E-20 0.000000E+00\nHONO_RACM2 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHNO3_RACM2 CS 210.000 3.477740E-21 1.421362E-21 5.692533E-22 2.194328E-22 2.062589E-23 3.797806E-25 0.000000E+00\nHNO3_RACM2 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHNO3_RACM2 CS 230.000 3.663356E-21 1.522325E-21 6.201572E-22 2.451096E-22 2.494077E-23 3.837348E-25 0.000000E+00\nHNO3_RACM2 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHNO3_RACM2 CS 250.000 3.858879E-21 1.630460E-21 6.756130E-22 2.737909E-22 3.015831E-23 3.877301E-25 0.000000E+00\nHNO3_RACM2 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHNO3_RACM2 CS 270.000 4.064837E-21 1.746275E-21 7.360279E-22 3.058283E-22 3.646735E-23 3.917671E-25 0.000000E+00\nHNO3_RACM2 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHNO3_RACM2 CS 290.000 4.281789E-21 1.870318E-21 8.018451E-22 3.416145E-22 4.409623E-23 3.958460E-25 0.000000E+00\nHNO3_RACM2 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHNO3_RACM2 CS 310.000 4.510320E-21 2.003171E-21 8.735479E-22 3.815883E-22 5.332105E-23 3.999674E-25 0.000000E+00\nHNO3_RACM2 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHNO4_RACM2 CS 210.000 2.329949E-20 9.144530E-21 3.983048E-21 1.967534E-21 3.976035E-22 3.285247E-24 0.000000E+00\nHNO4_RACM2 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHNO4_RACM2 CS 230.000 2.378244E-20 9.477436E-21 4.200296E-21 2.110804E-21 4.511061E-22 4.554065E-24 0.000000E+00\nHNO4_RACM2 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHNO4_RACM2 CS 250.000 2.447801E-20 9.956912E-21 4.513192E-21 2.317151E-21 5.281641E-22 6.381496E-24 0.000000E+00\nHNO4_RACM2 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHNO4_RACM2 CS 270.000 2.541218E-20 1.060086E-20 4.933421E-21 2.594282E-21 6.316551E-22 8.835790E-24 0.000000E+00\nHNO4_RACM2 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHNO4_RACM2 CS 290.000 2.660059E-20 1.142006E-20 5.468013E-21 2.946832E-21 7.633113E-22 1.195802E-23 0.000000E+00\nHNO4_RACM2 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHNO4_RACM2 CS 310.000 2.804907E-20 1.241853E-20 6.119599E-21 3.376538E-21 9.237795E-22 1.576353E-23 0.000000E+00\nHNO4_RACM2 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHCHO_MOL_JPL19 CS 210.000 3.436202E-20 3.561495E-20 1.661439E-20 3.505164E-20 1.949427E-20 8.453695E-22 0.000000E+00\nHCHO_MOL_JPL19 EQY 210.000 2.573368E-01 2.406493E-01 2.610733E-01 3.312798E-01 6.395736E-01 3.544923E-01 0.000000E+00\nHCHO_MOL_JPL19 CS 230.000 3.432947E-20 3.561257E-20 1.660507E-20 3.507666E-20 1.950541E-20 8.448212E-22 0.000000E+00\nHCHO_MOL_JPL19 EQY 230.000 2.573368E-01 2.406493E-01 2.610733E-01 3.312798E-01 6.347457E-01 3.406936E-01 0.000000E+00\nHCHO_MOL_JPL19 CS 250.000 3.429692E-20 3.561019E-20 1.659575E-20 3.510169E-20 1.951654E-20 8.442728E-22 0.000000E+00\nHCHO_MOL_JPL19 EQY 250.000 2.573368E-01 2.406493E-01 2.610733E-01 3.312798E-01 6.247651E-01 3.155994E-01 0.000000E+00\nHCHO_MOL_JPL19 CS 270.000 3.426437E-20 3.560782E-20 1.658643E-20 3.512672E-20 1.952767E-20 8.437245E-22 0.000000E+00\nHCHO_MOL_JPL19 EQY 270.000 2.573368E-01 2.406493E-01 2.610733E-01 3.312798E-01 6.145213E-01 2.936854E-01 0.000000E+00\nHCHO_MOL_JPL19 CS 290.000 3.423181E-20 3.560544E-20 1.657710E-20 3.515175E-20 1.953881E-20 8.431761E-22 0.000000E+00\nHCHO_MOL_JPL19 EQY 290.000 2.573368E-01 2.406493E-01 2.610733E-01 3.312798E-01 6.040692E-01 2.744425E-01 0.000000E+00\nHCHO_MOL_JPL19 CS 310.000 3.421553E-20 3.560425E-20 1.657244E-20 3.516426E-20 1.954437E-20 8.429019E-22 0.000000E+00\nHCHO_MOL_JPL19 EQY 310.000 2.573368E-01 2.406493E-01 2.610733E-01 3.312798E-01 5.987564E-01 2.656473E-01 0.000000E+00\nHCHO_RAD_JPL19 CS 210.000 3.436202E-20 3.561495E-20 1.661439E-20 3.505164E-20 1.949427E-20 8.453695E-22 0.000000E+00\nHCHO_RAD_JPL19 EQY 210.000 7.308307E-01 7.593507E-01 7.389267E-01 6.687202E-01 2.626862E-01 0.000000E+00 0.000000E+00\nHCHO_RAD_JPL19 CS 230.000 3.432947E-20 3.561257E-20 1.660507E-20 3.507666E-20 1.950541E-20 8.448212E-22 0.000000E+00\nHCHO_RAD_JPL19 EQY 230.000 7.308307E-01 7.593507E-01 7.389267E-01 6.687202E-01 2.626862E-01 0.000000E+00 0.000000E+00\nHCHO_RAD_JPL19 CS 250.000 3.429692E-20 3.561019E-20 1.659575E-20 3.510169E-20 1.951654E-20 8.442728E-22 0.000000E+00\nHCHO_RAD_JPL19 EQY 250.000 7.308307E-01 7.593507E-01 7.389267E-01 6.687202E-01 2.626862E-01 0.000000E+00 0.000000E+00\nHCHO_RAD_JPL19 CS 270.000 3.426437E-20 3.560782E-20 1.658643E-20 3.512672E-20 1.952767E-20 8.437245E-22 0.000000E+00\nHCHO_RAD_JPL19 EQY 270.000 7.308307E-01 7.593507E-01 7.389267E-01 6.687202E-01 2.626862E-01 0.000000E+00 0.000000E+00\nHCHO_RAD_JPL19 CS 290.000 3.423181E-20 3.560544E-20 1.657710E-20 3.515175E-20 1.953881E-20 8.431761E-22 0.000000E+00\nHCHO_RAD_JPL19 EQY 290.000 7.308307E-01 7.593507E-01 7.389267E-01 6.687202E-01 2.626862E-01 0.000000E+00 0.000000E+00\nHCHO_RAD_JPL19 CS 310.000 3.421553E-20 3.560425E-20 1.657244E-20 3.516426E-20 1.954437E-20 8.429019E-22 0.000000E+00\nHCHO_RAD_JPL19 EQY 310.000 7.308307E-01 7.593507E-01 7.389267E-01 6.687202E-01 2.626862E-01 0.000000E+00 0.000000E+00\nCH3CHO_RACM2 CS 210.000 4.432880E-20 3.689178E-20 2.913527E-20 2.067145E-20 5.819010E-21 1.448852E-23 0.000000E+00\nCH3CHO_RACM2 EQY 210.000 4.909960E-01 3.900005E-01 2.794830E-01 1.560880E-01 3.457768E-02 0.000000E+00 0.000000E+00\nCH3CHO_RACM2 CS 230.000 4.432880E-20 3.689178E-20 2.913527E-20 2.067145E-20 5.819010E-21 1.448852E-23 0.000000E+00\nCH3CHO_RACM2 EQY 230.000 4.909960E-01 3.900005E-01 2.794830E-01 1.560880E-01 3.457768E-02 0.000000E+00 0.000000E+00\nCH3CHO_RACM2 CS 250.000 4.432880E-20 3.689178E-20 2.913527E-20 2.067145E-20 5.819010E-21 1.448852E-23 0.000000E+00\nCH3CHO_RACM2 EQY 250.000 4.909960E-01 3.900005E-01 2.794830E-01 1.560880E-01 3.457768E-02 0.000000E+00 0.000000E+00\nCH3CHO_RACM2 CS 270.000 4.432880E-20 3.689178E-20 2.913527E-20 2.067145E-20 5.819010E-21 1.448852E-23 0.000000E+00\nCH3CHO_RACM2 EQY 270.000 4.909960E-01 3.900005E-01 2.794830E-01 1.560880E-01 3.457768E-02 0.000000E+00 0.000000E+00\nCH3CHO_RACM2 CS 290.000 4.432880E-20 3.689178E-20 2.913527E-20 2.067145E-20 5.819010E-21 1.448852E-23 0.000000E+00\nCH3CHO_RACM2 EQY 290.000 4.909960E-01 3.900005E-01 2.794830E-01 1.560880E-01 3.457768E-02 0.000000E+00 0.000000E+00\nCH3CHO_RACM2 CS 310.000 4.432880E-20 3.689178E-20 2.913527E-20 2.067145E-20 5.819010E-21 1.448852E-23 0.000000E+00\nCH3CHO_RACM2 EQY 310.000 4.909960E-01 3.900005E-01 2.794830E-01 1.560880E-01 3.457768E-02 0.000000E+00 0.000000E+00\nALD_JPL19 CS 210.000 5.545019E-20 4.634689E-20 3.579653E-20 2.441742E-20 5.836673E-21 1.243216E-23 0.000000E+00\nALD_JPL19 EQY 210.000 7.650582E-01 4.959521E-01 3.110854E-01 1.880053E-01 5.620141E-02 3.880543E-04 0.000000E+00\nALD_JPL19 CS 230.000 5.545019E-20 4.634689E-20 3.579653E-20 2.441742E-20 5.836673E-21 1.243216E-23 0.000000E+00\nALD_JPL19 EQY 230.000 7.650582E-01 4.959521E-01 3.110854E-01 1.880053E-01 5.620141E-02 3.880543E-04 0.000000E+00\nALD_JPL19 CS 250.000 5.545019E-20 4.634689E-20 3.579653E-20 2.441742E-20 5.836673E-21 1.243216E-23 0.000000E+00\nALD_JPL19 EQY 250.000 7.650582E-01 4.959521E-01 3.110854E-01 1.880053E-01 5.620141E-02 3.880543E-04 0.000000E+00\nALD_JPL19 CS 270.000 5.545019E-20 4.634689E-20 3.579653E-20 2.441742E-20 5.836673E-21 1.243216E-23 0.000000E+00\nALD_JPL19 EQY 270.000 7.650582E-01 4.959521E-01 3.110854E-01 1.880053E-01 5.620141E-02 3.880543E-04 0.000000E+00\nALD_JPL19 CS 290.000 5.545019E-20 4.634689E-20 3.579653E-20 2.441742E-20 5.836673E-21 1.243216E-23 0.000000E+00\nALD_JPL19 EQY 290.000 7.650582E-01 4.959521E-01 3.110854E-01 1.880053E-01 5.620141E-02 3.880543E-04 0.000000E+00\nALD_JPL19 CS 310.000 5.545019E-20 4.634689E-20 3.579653E-20 2.441742E-20 5.836673E-21 1.243216E-23 0.000000E+00\nALD_JPL19 EQY 310.000 7.650582E-01 4.959521E-01 3.110854E-01 1.880053E-01 5.620141E-02 3.880543E-04 0.000000E+00\nCH3COCH3A_JPL19 CS 210.000 3.093982E-20 1.932871E-20 1.074082E-20 5.401566E-21 3.042770E-22 0.000000E+00 0.000000E+00\nCH3COCH3A_JPL19 EQY 210.000 3.050471E-01 8.750076E-02 1.202798E-02 1.958962E-03 1.000649E-04 0.000000E+00 0.000000E+00\nCH3COCH3A_JPL19 CS 230.000 3.149499E-20 2.006286E-20 1.149978E-20 5.882838E-21 3.324875E-22 0.000000E+00 0.000000E+00\nCH3COCH3A_JPL19 EQY 230.000 2.787375E-01 9.397311E-02 1.661723E-02 3.420933E-03 2.896750E-04 0.000000E+00 0.000000E+00\nCH3COCH3A_JPL19 CS 250.000 3.221698E-20 2.085074E-20 1.224359E-20 6.367100E-21 3.824558E-22 0.000000E+00 0.000000E+00\nCH3COCH3A_JPL19 EQY 250.000 2.691839E-01 1.077206E-01 2.349230E-02 5.851198E-03 7.538323E-04 0.000000E+00 0.000000E+00\nCH3COCH3A_JPL19 CS 270.000 3.310749E-20 2.165984E-20 1.292394E-20 6.826211E-21 4.569583E-22 0.000000E+00 0.000000E+00\nCH3COCH3A_JPL19 EQY 270.000 2.670556E-01 1.277864E-01 3.342436E-02 9.777799E-03 1.796207E-03 0.000000E+00 0.000000E+00\nCH3COCH3A_JPL19 CS 290.000 3.416823E-20 2.245764E-20 1.349254E-20 7.232033E-21 5.587719E-22 0.000000E+00 0.000000E+00\nCH3COCH3A_JPL19 EQY 290.000 2.665285E-01 1.530424E-01 4.715588E-02 1.588624E-02 3.968139E-03 0.000000E+00 0.000000E+00\nCH3COCH3A_JPL19 CS 310.000 3.540091E-20 2.321163E-20 1.390108E-20 7.556429E-21 6.906736E-22 0.000000E+00 0.000000E+00\nCH3COCH3A_JPL19 EQY 310.000 2.639931E-01 1.814900E-01 6.511231E-02 2.493997E-02 8.189921E-03 0.000000E+00 0.000000E+00\nCH3COCH3B_JPL19 CS 210.000 3.093982E-20 1.932871E-20 1.074082E-20 5.401566E-21 3.042770E-22 0.000000E+00 0.000000E+00\nCH3COCH3B_JPL19 EQY 210.000 3.229218E-04 7.721466E-05 2.367151E-05 8.249256E-06 9.221447E-07 0.000000E+00 0.000000E+00\nCH3COCH3B_JPL19 CS 230.000 3.149499E-20 2.006286E-20 1.149978E-20 5.882838E-21 3.324875E-22 0.000000E+00 0.000000E+00\nCH3COCH3B_JPL19 EQY 230.000 2.173083E-03 7.072018E-04 2.773263E-04 1.217087E-04 2.470983E-05 0.000000E+00 0.000000E+00\nCH3COCH3B_JPL19 CS 250.000 3.221698E-20 2.085074E-20 1.224359E-20 6.367100E-21 3.824558E-22 0.000000E+00 0.000000E+00\nCH3COCH3B_JPL19 EQY 250.000 8.847268E-03 3.614042E-03 1.697250E-03 8.814140E-04 2.763485E-04 0.000000E+00 0.000000E+00\nCH3COCH3B_JPL19 CS 270.000 3.310749E-20 2.165984E-20 1.292394E-20 6.826211E-21 4.569583E-22 0.000000E+00 0.000000E+00\nCH3COCH3B_JPL19 EQY 270.000 2.542563E-02 1.237548E-02 6.667331E-03 3.932365E-03 1.708441E-03 0.000000E+00 0.000000E+00\nCH3COCH3B_JPL19 CS 290.000 3.416823E-20 2.245764E-20 1.349254E-20 7.232033E-21 5.587719E-22 0.000000E+00 0.000000E+00\nCH3COCH3B_JPL19 EQY 290.000 5.670215E-02 3.177502E-02 1.909137E-02 1.244460E-02 6.963594E-03 0.000000E+00 0.000000E+00\nCH3COCH3B_JPL19 CS 310.000 3.540091E-20 2.321163E-20 1.390108E-20 7.556429E-21 6.906736E-22 0.000000E+00 0.000000E+00\nCH3COCH3B_JPL19 EQY 310.000 1.044077E-01 6.573535E-02 4.320569E-02 3.056103E-02 2.096195E-02 0.000000E+00 0.000000E+00\nUALD_RACM2 CS 210.000 2.726167E-20 3.900286E-20 4.799106E-20 5.560386E-20 5.993363E-20 1.199965E-20 0.000000E+00\nUALD_RACM2 EQY 210.000 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 0.000000E+00\nUALD_RACM2 CS 230.000 2.726167E-20 3.900286E-20 4.799106E-20 5.560386E-20 5.993363E-20 1.199965E-20 0.000000E+00\nUALD_RACM2 EQY 230.000 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 0.000000E+00\nUALD_RACM2 CS 250.000 2.726167E-20 3.900286E-20 4.799106E-20 5.560386E-20 5.993363E-20 1.199965E-20 0.000000E+00\nUALD_RACM2 EQY 250.000 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 0.000000E+00\nUALD_RACM2 CS 270.000 2.726167E-20 3.900286E-20 4.799106E-20 5.560386E-20 5.993363E-20 1.199965E-20 0.000000E+00\nUALD_RACM2 EQY 270.000 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 0.000000E+00\nUALD_RACM2 CS 290.000 2.726167E-20 3.900286E-20 4.799106E-20 5.560386E-20 5.993363E-20 1.199965E-20 0.000000E+00\nUALD_RACM2 EQY 290.000 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 0.000000E+00\nUALD_RACM2 CS 310.000 2.726167E-20 3.900286E-20 4.799106E-20 5.560386E-20 5.993363E-20 1.199965E-20 0.000000E+00\nUALD_RACM2 EQY 310.000 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 0.000000E+00\nMEK_JGR19 CS 210.000 4.136901E-20 2.660165E-20 1.555986E-20 7.628035E-21 7.691484E-22 0.000000E+00 0.000000E+00\nMEK_JGR19 EQY 210.000 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 0.000000E+00 0.000000E+00\nMEK_JGR19 CS 230.000 4.136901E-20 2.660165E-20 1.555986E-20 7.628035E-21 7.691484E-22 0.000000E+00 0.000000E+00\nMEK_JGR19 EQY 230.000 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 0.000000E+00 0.000000E+00\nMEK_JGR19 CS 250.000 4.136901E-20 2.660165E-20 1.555986E-20 7.628035E-21 7.691484E-22 0.000000E+00 0.000000E+00\nMEK_JGR19 EQY 250.000 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 0.000000E+00 0.000000E+00\nMEK_JGR19 CS 270.000 4.136901E-20 2.660165E-20 1.555986E-20 7.628035E-21 7.691484E-22 0.000000E+00 0.000000E+00\nMEK_JGR19 EQY 270.000 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 0.000000E+00 0.000000E+00\nMEK_JGR19 CS 290.000 4.136901E-20 2.660165E-20 1.555986E-20 7.628035E-21 7.691484E-22 0.000000E+00 0.000000E+00\nMEK_JGR19 EQY 290.000 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 0.000000E+00 0.000000E+00\nMEK_JGR19 CS 310.000 4.136901E-20 2.660165E-20 1.555986E-20 7.628035E-21 7.691484E-22 0.000000E+00 0.000000E+00\nMEK_JGR19 EQY 310.000 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 0.000000E+00 0.000000E+00\nKET_JGR19 CS 210.000 4.752487E-20 3.017679E-20 1.668608E-20 8.110916E-21 7.302181E-22 0.000000E+00 0.000000E+00\nKET_JGR19 EQY 210.000 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 0.000000E+00 0.000000E+00\nKET_JGR19 CS 230.000 4.752487E-20 3.017679E-20 1.668608E-20 8.110916E-21 7.302181E-22 0.000000E+00 0.000000E+00\nKET_JGR19 EQY 230.000 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 0.000000E+00 0.000000E+00\nKET_JGR19 CS 250.000 4.752487E-20 3.017679E-20 1.668608E-20 8.110916E-21 7.302181E-22 0.000000E+00 0.000000E+00\nKET_JGR19 EQY 250.000 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 0.000000E+00 0.000000E+00\nKET_JGR19 CS 270.000 4.752487E-20 3.017679E-20 1.668608E-20 8.110916E-21 7.302181E-22 0.000000E+00 0.000000E+00\nKET_JGR19 EQY 270.000 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 0.000000E+00 0.000000E+00\nKET_JGR19 CS 290.000 4.752487E-20 3.017679E-20 1.668608E-20 8.110916E-21 7.302181E-22 0.000000E+00 0.000000E+00\nKET_JGR19 EQY 290.000 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 0.000000E+00 0.000000E+00\nKET_JGR19 CS 310.000 4.752487E-20 3.017679E-20 1.668608E-20 8.110916E-21 7.302181E-22 0.000000E+00 0.000000E+00\nKET_JGR19 EQY 310.000 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 3.400000E-01 0.000000E+00 0.000000E+00\nHKET_RACM2 CS 210.000 1.992923E-20 7.535076E-21 2.932970E-21 1.413067E-21 3.523287E-22 0.000000E+00 0.000000E+00\nHKET_RACM2 EQY 210.000 6.500000E-01 6.500000E-01 6.500000E-01 6.500000E-01 6.500000E-01 0.000000E+00 0.000000E+00\nHKET_RACM2 CS 230.000 1.992923E-20 7.535076E-21 2.932970E-21 1.413067E-21 3.523287E-22 0.000000E+00 0.000000E+00\nHKET_RACM2 EQY 230.000 6.500000E-01 6.500000E-01 6.500000E-01 6.500000E-01 6.500000E-01 0.000000E+00 0.000000E+00\nHKET_RACM2 CS 250.000 1.992923E-20 7.535076E-21 2.932970E-21 1.413067E-21 3.523287E-22 0.000000E+00 0.000000E+00\nHKET_RACM2 EQY 250.000 6.500000E-01 6.500000E-01 6.500000E-01 6.500000E-01 6.500000E-01 0.000000E+00 0.000000E+00\nHKET_RACM2 CS 270.000 1.992923E-20 7.535076E-21 2.932970E-21 1.413067E-21 3.523287E-22 0.000000E+00 0.000000E+00\nHKET_RACM2 EQY 270.000 6.500000E-01 6.500000E-01 6.500000E-01 6.500000E-01 6.500000E-01 0.000000E+00 0.000000E+00\nHKET_RACM2 CS 290.000 1.992923E-20 7.535076E-21 2.932970E-21 1.413067E-21 3.523287E-22 0.000000E+00 0.000000E+00\nHKET_RACM2 EQY 290.000 6.500000E-01 6.500000E-01 6.500000E-01 6.500000E-01 6.500000E-01 0.000000E+00 0.000000E+00\nHKET_RACM2 CS 310.000 1.992923E-20 7.535076E-21 2.932970E-21 1.413067E-21 3.523287E-22 0.000000E+00 0.000000E+00\nHKET_RACM2 EQY 310.000 6.500000E-01 6.500000E-01 6.500000E-01 6.500000E-01 6.500000E-01 0.000000E+00 0.000000E+00\nMACR_RACM2 CS 210.000 2.653810E-20 3.941266E-20 4.989643E-20 5.893396E-20 6.529031E-20 1.389067E-20 0.000000E+00\nMACR_RACM2 EQY 210.000 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 0.000000E+00\nMACR_RACM2 CS 230.000 2.653810E-20 3.941266E-20 4.989643E-20 5.893396E-20 6.529031E-20 1.389067E-20 0.000000E+00\nMACR_RACM2 EQY 230.000 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 0.000000E+00\nMACR_RACM2 CS 250.000 2.653810E-20 3.941266E-20 4.989643E-20 5.893396E-20 6.529031E-20 1.389067E-20 0.000000E+00\nMACR_RACM2 EQY 250.000 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 0.000000E+00\nMACR_RACM2 CS 270.000 2.653810E-20 3.941266E-20 4.989643E-20 5.893396E-20 6.529031E-20 1.389067E-20 0.000000E+00\nMACR_RACM2 EQY 270.000 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 0.000000E+00\nMACR_RACM2 CS 290.000 2.653810E-20 3.941266E-20 4.989643E-20 5.893396E-20 6.529031E-20 1.389067E-20 0.000000E+00\nMACR_RACM2 EQY 290.000 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 0.000000E+00\nMACR_RACM2 CS 310.000 2.653810E-20 3.941266E-20 4.989643E-20 5.893396E-20 6.529031E-20 1.389067E-20 0.000000E+00\nMACR_RACM2 EQY 310.000 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 0.000000E+00\nMVK_RACM2 CS 210.000 3.026195E-20 4.372470E-20 5.436504E-20 6.304111E-20 6.815623E-20 1.494179E-20 0.000000E+00\nMVK_RACM2 EQY 210.000 1.750145E-02 1.106229E-02 7.572843E-03 5.008090E-03 2.251655E-03 4.698719E-04 0.000000E+00\nMVK_RACM2 CS 230.000 3.026195E-20 4.372470E-20 5.436504E-20 6.304111E-20 6.815623E-20 1.494179E-20 0.000000E+00\nMVK_RACM2 EQY 230.000 1.750145E-02 1.106229E-02 7.572843E-03 5.008090E-03 2.251655E-03 4.698719E-04 0.000000E+00\nMVK_RACM2 CS 250.000 3.026195E-20 4.372470E-20 5.436504E-20 6.304111E-20 6.815623E-20 1.494179E-20 0.000000E+00\nMVK_RACM2 EQY 250.000 1.750145E-02 1.106229E-02 7.572843E-03 5.008090E-03 2.251655E-03 4.698719E-04 0.000000E+00\nMVK_RACM2 CS 270.000 3.026195E-20 4.372470E-20 5.436504E-20 6.304111E-20 6.815623E-20 1.494179E-20 0.000000E+00\nMVK_RACM2 EQY 270.000 1.750145E-02 1.106229E-02 7.572843E-03 5.008090E-03 2.251655E-03 4.698719E-04 0.000000E+00\nMVK_RACM2 CS 290.000 3.026195E-20 4.372470E-20 5.436504E-20 6.304111E-20 6.815623E-20 1.494179E-20 0.000000E+00\nMVK_RACM2 EQY 290.000 1.750145E-02 1.106229E-02 7.572843E-03 5.008090E-03 2.251655E-03 4.698719E-04 0.000000E+00\nMVK_RACM2 CS 310.000 3.026195E-20 4.372470E-20 5.436504E-20 6.304111E-20 6.815623E-20 1.494179E-20 0.000000E+00\nMVK_RACM2 EQY 310.000 1.750145E-02 1.106229E-02 7.572843E-03 5.008090E-03 2.251655E-03 4.698719E-04 0.000000E+00\nGLYH2_RACM2 CS 210.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYH2_RACM2 EQY 210.000 2.083945E-01 1.741676E-01 1.458094E-01 1.226219E-01 7.896682E-02 4.675626E-04 0.000000E+00\nGLYH2_RACM2 CS 230.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYH2_RACM2 EQY 230.000 2.083945E-01 1.741676E-01 1.458094E-01 1.226219E-01 7.896682E-02 4.675626E-04 0.000000E+00\nGLYH2_RACM2 CS 250.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYH2_RACM2 EQY 250.000 2.083945E-01 1.741676E-01 1.458094E-01 1.226219E-01 7.896682E-02 4.675626E-04 0.000000E+00\nGLYH2_RACM2 CS 270.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYH2_RACM2 EQY 270.000 2.083945E-01 1.741676E-01 1.458094E-01 1.226219E-01 7.896682E-02 4.675626E-04 0.000000E+00\nGLYH2_RACM2 CS 290.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYH2_RACM2 EQY 290.000 2.083945E-01 1.741676E-01 1.458094E-01 1.226219E-01 7.896682E-02 4.675626E-04 0.000000E+00\nGLYH2_RACM2 CS 310.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYH2_RACM2 EQY 310.000 2.083945E-01 1.741676E-01 1.458094E-01 1.226219E-01 7.896682E-02 4.675626E-04 0.000000E+00\nGLYF_RACM2 CS 210.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYF_RACM2 EQY 210.000 4.492523E-01 4.582704E-01 4.575158E-01 4.464855E-01 3.643574E-01 9.914810E-03 6.082142E-05\nGLYF_RACM2 CS 230.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYF_RACM2 EQY 230.000 4.492523E-01 4.582704E-01 4.575158E-01 4.464855E-01 3.643574E-01 9.914810E-03 6.082142E-05\nGLYF_RACM2 CS 250.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYF_RACM2 EQY 250.000 4.492523E-01 4.582704E-01 4.575158E-01 4.464855E-01 3.643574E-01 9.914810E-03 6.082142E-05\nGLYF_RACM2 CS 270.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYF_RACM2 EQY 270.000 4.492523E-01 4.582704E-01 4.575158E-01 4.464855E-01 3.643574E-01 9.914810E-03 6.082142E-05\nGLYF_RACM2 CS 290.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYF_RACM2 EQY 290.000 4.492523E-01 4.582704E-01 4.575158E-01 4.464855E-01 3.643574E-01 9.914810E-03 6.082142E-05\nGLYF_RACM2 CS 310.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYF_RACM2 EQY 310.000 4.492523E-01 4.582704E-01 4.575158E-01 4.464855E-01 3.643574E-01 9.914810E-03 6.082142E-05\nGLYHX_RACM2 CS 210.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYHX_RACM2 EQY 210.000 3.424615E-01 3.676233E-01 3.968463E-01 4.307733E-01 5.451978E-01 6.424549E-02 3.251833E-03\nGLYHX_RACM2 CS 230.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYHX_RACM2 EQY 230.000 3.424615E-01 3.676233E-01 3.968463E-01 4.307733E-01 5.451978E-01 6.424549E-02 3.251833E-03\nGLYHX_RACM2 CS 250.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYHX_RACM2 EQY 250.000 3.424615E-01 3.676233E-01 3.968463E-01 4.307733E-01 5.451978E-01 6.424549E-02 3.251833E-03\nGLYHX_RACM2 CS 270.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYHX_RACM2 EQY 270.000 3.424615E-01 3.676233E-01 3.968463E-01 4.307733E-01 5.451978E-01 6.424549E-02 3.251833E-03\nGLYHX_RACM2 CS 290.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYHX_RACM2 EQY 290.000 3.424615E-01 3.676233E-01 3.968463E-01 4.307733E-01 5.451978E-01 6.424549E-02 3.251833E-03\nGLYHX_RACM2 CS 310.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYHX_RACM2 EQY 310.000 3.424615E-01 3.676233E-01 3.968463E-01 4.307733E-01 5.451978E-01 6.424549E-02 3.251833E-03\nMGLY_RACM2 CS 210.000 4.369065E-20 3.468163E-20 2.431083E-20 1.791723E-20 6.182988E-21 3.703444E-20 7.886681E-21\nMGLY_RACM2 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 6.094060E-01 1.339466E-01\nMGLY_RACM2 CS 230.000 4.369065E-20 3.468163E-20 2.431083E-20 1.791723E-20 6.182988E-21 3.703444E-20 7.886681E-21\nMGLY_RACM2 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 6.094060E-01 1.339466E-01\nMGLY_RACM2 CS 250.000 4.369065E-20 3.468163E-20 2.431083E-20 1.791723E-20 6.182988E-21 3.703444E-20 7.886681E-21\nMGLY_RACM2 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 6.094060E-01 1.339466E-01\nMGLY_RACM2 CS 270.000 4.369065E-20 3.468163E-20 2.431083E-20 1.791723E-20 6.182988E-21 3.703444E-20 7.886681E-21\nMGLY_RACM2 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 6.094060E-01 1.339466E-01\nMGLY_RACM2 CS 290.000 4.369065E-20 3.468163E-20 2.431083E-20 1.791723E-20 6.182988E-21 3.703444E-20 7.886681E-21\nMGLY_RACM2 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 6.094060E-01 1.339466E-01\nMGLY_RACM2 CS 310.000 4.369065E-20 3.468163E-20 2.431083E-20 1.791723E-20 6.182988E-21 3.703444E-20 7.886681E-21\nMGLY_RACM2 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 6.094060E-01 1.339466E-01\nBALD_RACM2 CS 210.000 4.785295E-19 7.446018E-20 7.090561E-20 8.511820E-20 9.190661E-20 1.652288E-20 0.000000E+00\nBALD_RACM2 EQY 210.000 6.000000E-02 6.000000E-02 6.000000E-02 6.000000E-02 6.000000E-02 5.654883E-02 0.000000E+00\nBALD_RACM2 CS 230.000 4.785295E-19 7.446018E-20 7.090561E-20 8.511820E-20 9.190661E-20 1.652288E-20 0.000000E+00\nBALD_RACM2 EQY 230.000 6.000000E-02 6.000000E-02 6.000000E-02 6.000000E-02 6.000000E-02 5.654883E-02 0.000000E+00\nBALD_RACM2 CS 250.000 4.785295E-19 7.446018E-20 7.090561E-20 8.511820E-20 9.190661E-20 1.652288E-20 0.000000E+00\nBALD_RACM2 EQY 250.000 6.000000E-02 6.000000E-02 6.000000E-02 6.000000E-02 6.000000E-02 5.654883E-02 0.000000E+00\nBALD_RACM2 CS 270.000 4.785295E-19 7.446018E-20 7.090561E-20 8.511820E-20 9.190661E-20 1.652288E-20 0.000000E+00\nBALD_RACM2 EQY 270.000 6.000000E-02 6.000000E-02 6.000000E-02 6.000000E-02 6.000000E-02 5.654883E-02 0.000000E+00\nBALD_RACM2 CS 290.000 4.785295E-19 7.446018E-20 7.090561E-20 8.511820E-20 9.190661E-20 1.652288E-20 0.000000E+00\nBALD_RACM2 EQY 290.000 6.000000E-02 6.000000E-02 6.000000E-02 6.000000E-02 6.000000E-02 5.654883E-02 0.000000E+00\nBALD_RACM2 CS 310.000 4.785295E-19 7.446018E-20 7.090561E-20 8.511820E-20 9.190661E-20 1.652288E-20 0.000000E+00\nBALD_RACM2 EQY 310.000 6.000000E-02 6.000000E-02 6.000000E-02 6.000000E-02 6.000000E-02 5.654883E-02 0.000000E+00\nOP1_RACM2 CS 210.000 5.502859E-21 3.521580E-21 2.407395E-21 1.698535E-21 7.264998E-22 4.583933E-23 0.000000E+00\nOP1_RACM2 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nOP1_RACM2 CS 230.000 5.502859E-21 3.521580E-21 2.407395E-21 1.698535E-21 7.264998E-22 4.583933E-23 0.000000E+00\nOP1_RACM2 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nOP1_RACM2 CS 250.000 5.502859E-21 3.521580E-21 2.407395E-21 1.698535E-21 7.264998E-22 4.583933E-23 0.000000E+00\nOP1_RACM2 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nOP1_RACM2 CS 270.000 5.502859E-21 3.521580E-21 2.407395E-21 1.698535E-21 7.264998E-22 4.583933E-23 0.000000E+00\nOP1_RACM2 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nOP1_RACM2 CS 290.000 5.502859E-21 3.521580E-21 2.407395E-21 1.698535E-21 7.264998E-22 4.583933E-23 0.000000E+00\nOP1_RACM2 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nOP1_RACM2 CS 310.000 5.502859E-21 3.521580E-21 2.407395E-21 1.698535E-21 7.264998E-22 4.583933E-23 0.000000E+00\nOP1_RACM2 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nPAA_RACM2 CS 210.000 1.925838E-21 1.009150E-21 5.907156E-22 3.670602E-22 1.041377E-22 0.000000E+00 0.000000E+00\nPAA_RACM2 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nPAA_RACM2 CS 230.000 1.925838E-21 1.009150E-21 5.907156E-22 3.670602E-22 1.041377E-22 0.000000E+00 0.000000E+00\nPAA_RACM2 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nPAA_RACM2 CS 250.000 1.925838E-21 1.009150E-21 5.907156E-22 3.670602E-22 1.041377E-22 0.000000E+00 0.000000E+00\nPAA_RACM2 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nPAA_RACM2 CS 270.000 1.925838E-21 1.009150E-21 5.907156E-22 3.670602E-22 1.041377E-22 0.000000E+00 0.000000E+00\nPAA_RACM2 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nPAA_RACM2 CS 290.000 1.925838E-21 1.009150E-21 5.907156E-22 3.670602E-22 1.041377E-22 0.000000E+00 0.000000E+00\nPAA_RACM2 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nPAA_RACM2 CS 310.000 1.925838E-21 1.009150E-21 5.907156E-22 3.670602E-22 1.041377E-22 0.000000E+00 0.000000E+00\nPAA_RACM2 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nONIT_RACM2 CS 210.000 9.713560E-21 4.546408E-21 2.120818E-21 9.214405E-22 1.152105E-22 1.219897E-24 0.000000E+00\nONIT_RACM2 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nONIT_RACM2 CS 230.000 9.713560E-21 4.546408E-21 2.120818E-21 9.214405E-22 1.152105E-22 1.219897E-24 0.000000E+00\nONIT_RACM2 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nONIT_RACM2 CS 250.000 1.018927E-20 4.819206E-21 2.272045E-21 1.003918E-21 1.288490E-22 1.219897E-24 0.000000E+00\nONIT_RACM2 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nONIT_RACM2 CS 270.000 1.121172E-20 5.414893E-21 2.607618E-21 1.191682E-21 1.611607E-22 1.219897E-24 0.000000E+00\nONIT_RACM2 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nONIT_RACM2 CS 290.000 1.233676E-20 6.084210E-21 2.992754E-21 1.414564E-21 2.015753E-22 1.219897E-24 0.000000E+00\nONIT_RACM2 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nONIT_RACM2 CS 310.000 1.357470E-20 6.836260E-21 3.434773E-21 1.679132E-21 2.521246E-22 1.219897E-24 0.000000E+00\nONIT_RACM2 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nPAN1_RACM2 CS 210.000 1.768018E-21 6.646887E-22 3.009928E-22 1.566195E-22 3.492933E-23 1.494937E-24 0.000000E+00\nPAN1_RACM2 EQY 210.000 8.000000E-01 8.000000E-01 6.922216E-01 6.000000E-01 6.000000E-01 6.000000E-01 0.000000E+00\nPAN1_RACM2 CS 230.000 2.071785E-21 7.907078E-22 3.614192E-22 1.899570E-22 4.384918E-23 1.511154E-24 0.000000E+00\nPAN1_RACM2 EQY 230.000 8.000000E-01 8.000000E-01 6.922216E-01 6.000000E-01 6.000000E-01 6.000000E-01 0.000000E+00\nPAN1_RACM2 CS 250.000 2.427744E-21 9.406189E-22 4.339766E-22 2.303907E-22 5.504689E-23 1.527546E-24 0.000000E+00\nPAN1_RACM2 EQY 250.000 8.000000E-01 8.000000E-01 6.922216E-01 6.000000E-01 6.000000E-01 6.000000E-01 0.000000E+00\nPAN1_RACM2 CS 270.000 2.844861E-21 1.118952E-21 5.211004E-22 2.794310E-22 6.910414E-23 1.544117E-24 0.000000E+00\nPAN1_RACM2 EQY 270.000 8.000000E-01 8.000000E-01 6.922216E-01 6.000000E-01 6.000000E-01 6.000000E-01 0.000000E+00\nPAN1_RACM2 CS 290.000 3.333644E-21 1.331095E-21 6.257149E-22 3.389099E-22 8.675118E-23 1.560867E-24 0.000000E+00\nPAN1_RACM2 EQY 290.000 8.000000E-01 8.000000E-01 6.922216E-01 6.000000E-01 6.000000E-01 6.000000E-01 0.000000E+00\nPAN1_RACM2 CS 310.000 3.906406E-21 1.583459E-21 7.513316E-22 4.110492E-22 1.089047E-22 1.577798E-24 0.000000E+00\nPAN1_RACM2 EQY 310.000 8.000000E-01 8.000000E-01 6.922216E-01 6.000000E-01 6.000000E-01 6.000000E-01 0.000000E+00\nPAN2_RACM2 CS 210.000 1.768018E-21 6.646887E-22 3.009928E-22 1.566195E-22 3.492933E-23 1.494937E-24 0.000000E+00\nPAN2_RACM2 EQY 210.000 2.000000E-01 2.000000E-01 3.077784E-01 4.000000E-01 4.000000E-01 4.000000E-01 0.000000E+00\nPAN2_RACM2 CS 230.000 2.071785E-21 7.907078E-22 3.614192E-22 1.899570E-22 4.384918E-23 1.511154E-24 0.000000E+00\nPAN2_RACM2 EQY 230.000 2.000000E-01 2.000000E-01 3.077784E-01 4.000000E-01 4.000000E-01 4.000000E-01 0.000000E+00\nPAN2_RACM2 CS 250.000 2.427744E-21 9.406189E-22 4.339766E-22 2.303907E-22 5.504689E-23 1.527546E-24 0.000000E+00\nPAN2_RACM2 EQY 250.000 2.000000E-01 2.000000E-01 3.077784E-01 4.000000E-01 4.000000E-01 4.000000E-01 0.000000E+00\nPAN2_RACM2 CS 270.000 2.844861E-21 1.118952E-21 5.211004E-22 2.794310E-22 6.910414E-23 1.544117E-24 0.000000E+00\nPAN2_RACM2 EQY 270.000 2.000000E-01 2.000000E-01 3.077784E-01 4.000000E-01 4.000000E-01 4.000000E-01 0.000000E+00\nPAN2_RACM2 CS 290.000 3.333644E-21 1.331095E-21 6.257149E-22 3.389099E-22 8.675118E-23 1.560867E-24 0.000000E+00\nPAN2_RACM2 EQY 290.000 2.000000E-01 2.000000E-01 3.077784E-01 4.000000E-01 4.000000E-01 4.000000E-01 0.000000E+00\nPAN2_RACM2 CS 310.000 3.906406E-21 1.583459E-21 7.513316E-22 4.110492E-22 1.089047E-22 1.577798E-24 0.000000E+00\nPAN2_RACM2 EQY 310.000 2.000000E-01 2.000000E-01 3.077784E-01 4.000000E-01 4.000000E-01 4.000000E-01 0.000000E+00\nACRO_09 CS 210.000 1.856128E-20 2.787986E-20 3.602616E-20 4.321518E-20 5.371941E-20 1.543856E-20 0.000000E+00\nACRO_09 EQY 210.000 5.269045E-02 3.293790E-02 2.264026E-02 1.595375E-02 6.767500E-03 1.624741E-03 0.000000E+00\nACRO_09 CS 230.000 1.856128E-20 2.787986E-20 3.602616E-20 4.321518E-20 5.371941E-20 1.543856E-20 0.000000E+00\nACRO_09 EQY 230.000 5.269045E-02 3.293790E-02 2.264026E-02 1.595375E-02 6.767500E-03 1.624741E-03 0.000000E+00\nACRO_09 CS 250.000 1.856128E-20 2.787986E-20 3.602616E-20 4.321518E-20 5.371941E-20 1.543856E-20 0.000000E+00\nACRO_09 EQY 250.000 5.269045E-02 3.293790E-02 2.264026E-02 1.595375E-02 6.767500E-03 1.624741E-03 0.000000E+00\nACRO_09 CS 270.000 1.856128E-20 2.787986E-20 3.602616E-20 4.321518E-20 5.371941E-20 1.543856E-20 0.000000E+00\nACRO_09 EQY 270.000 5.269045E-02 3.293790E-02 2.264026E-02 1.595375E-02 6.767500E-03 1.624741E-03 0.000000E+00\nACRO_09 CS 290.000 1.856128E-20 2.787986E-20 3.602616E-20 4.321518E-20 5.371941E-20 1.543856E-20 0.000000E+00\nACRO_09 EQY 290.000 5.269045E-02 3.293790E-02 2.264026E-02 1.595375E-02 6.767500E-03 1.624741E-03 0.000000E+00\nACRO_09 CS 310.000 1.856128E-20 2.787986E-20 3.602616E-20 4.321518E-20 5.371941E-20 1.543856E-20 0.000000E+00\nACRO_09 EQY 310.000 5.269045E-02 3.293790E-02 2.264026E-02 1.595375E-02 6.767500E-03 1.624741E-03 0.000000E+00\n! Ozone Cross-Section for Stratospheric Opacity based on Table 4-5 in\n! Chemical Kinetics and Photochemical Data for Use in Atmospheric\n! Studies Evaluation Number 15. Sander et. al: NASA-JPL 2006 \nNTEMP_STRAT = 6\n! QUANTITY TEMP WBIN( 1) WBIN( 2) WBIN( 3) WBIN( 4) WBIN( 5) WBIN( 6) WBIN( 7)\nO3_STRAT CS 180.000 6.113743E-19 2.263004E-19 8.354117E-20 3.417408E-20 3.688351E-21 4.086261E-23 1.663175E-21\nO3_STRAT CS 260.000 6.434133E-19 2.434104E-19 9.254548E-20 3.928807E-20 4.583227E-21 4.086261E-23 1.663175E-21\nO3_STRAT CS 300.000 6.685868E-19 2.568540E-19 9.962031E-20 4.330621E-20 5.286344E-21 4.086261E-23 1.663175E-21\nO3_STRAT CS 340.000 6.685868E-19 2.568540E-19 9.962031E-20 4.330621E-20 5.286344E-21 4.086261E-23 1.663175E-21\nO3_STRAT CS 380.000 6.685868E-19 2.568540E-19 9.962031E-20 4.330621E-20 5.286344E-21 4.086261E-23 1.663175E-21\nO3_STRAT CS 420.000 6.685868E-19 2.568540E-19 9.962031E-20 4.330621E-20 5.286344E-21 4.086261E-23 1.663175E-21\n" }, { "path": "CCTM/src/MECHS/cracmm2/GC_cracmm2.nml", "content": "&GC_nml\n\nGC_SPECIES_DATA = \n\n!SPECIES ,MOLWT ,IC ,IC_FAC ,BC ,BC_FAC ,DRYDEP SURR ,FAC ,WET-SCAV SURR ,FAC ,GC2AE SURR ,GC2AQ SURR,TRNS ,DDEP ,WDEP ,CONC ,!RepCmp,ExplicitorLumped,DTXSID,SMILES\n'O3' , 48.0 ,'' ,-1 ,'' ,-1 ,'VD_O3' , 1 ,'O3' , 1 ,'' ,'O3' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Ozone,E,DTXSID0021098,[O-][O+]=O\n'O3P' , 16.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!Ground state oxygen,E,DTXSID00170378,[O]\n'O1D' , 16.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!Excited oxygen,E,DTXSID00170378,[O]\n'H2O2' , 34.0 ,'' ,-1 ,'' ,-1 ,'VD_H2O2' , 1 ,'H2O2' , 1 ,'' ,'H2O2' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Hydrogen peroxide,E,DTXSID2020715,OO\n'HO' , 17.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'OH' ,'HO' ,'' ,'' ,'' ,'Yes',!Hydroxyl radical,E,NA,[OH]\n'NO2' , 46.0 ,'' ,-1 ,'' ,-1 ,'VD_NO2' , 1 ,'NO2' , 1 ,'NO2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Nitrogen dioxide,E,DTXSID7020974,N(=O)[O]\n'NO' , 30.0 ,'' ,-1 ,'' ,-1 ,'VD_NO' , 1 ,'NO' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Nitric oxide,E,DTXSID1020938,[N]=O\n'NO3' , 62.0 ,'' ,-1 ,'' ,-1 ,'VD_NO3' , 1 ,'NO3' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Nitrate radical,E,NA,[O]N(=O)=O\n'HONO' , 47.0 ,'' ,-1 ,'' ,-1 ,'VD_HONO' , 1 ,'HNO2' , 1 ,'HONO' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Nitrous acid,E,DTXSID7064813,N(=O)O\n'HNO3' , 63.0 ,'' ,-1 ,'' ,-1 ,'VD_HNO3' , 1 ,'HNO3' , 1 ,'HNO3' ,'HNO3' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Nitric acid,E,DTXSID5029685,[N+](=O)(O)[O-]\n'HNO4' , 79.0 ,'' ,-1 ,'' ,-1 ,'VD_PNA' , 1 ,'HNO4' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Hydroxy nitrate,E,DTXSID201030501,[N+](=O)([O-])OO\n'HO2' , 33.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!Hydroperoxy,E,DTXSID30894777,O[O-]\n'HCHO' , 30.0 ,'' ,-1 ,'' ,-1 ,'VD_HCHO' , 1 ,'FORMALDEHYDE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Formaldehyde,E,DTXSID7020637,C=O\n'CO' , 28.0 ,'' ,-1 ,'' ,-1 ,'VD_CO' , 1 ,'CO' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Carbon monoxide,E,DTXSID5027273,[C-]#[O+]\n'ACD' , 44.0 ,'' ,-1 ,'' ,-1 ,'VD_ACD' , 1 ,'ACETALDEHYDE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Acetaldehyde,E,DTXSID5039224,CC=O\n'MO2' , 47.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!Methylperoxy,E,DTXSID10944007,CO[O]\n'ALD' , 58.0 ,'' ,-1 ,'' ,-1 ,'VD_ALD' , 1 ,'GENERIC_ALDEHYDE', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Propanal,L,DTXSID2021658,CCC=O\n'ETHP' , 61.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!Ethylperoxy,L,DTXSID90953652,CCO[O]\n'ACT' , 58.0 ,'' ,-1 ,'' ,-1 ,'VD_ACT' , 1 ,'ACETONE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Acetone,E,DTXSID8021482,CC(C)=O\n'ACO3' , 75.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!Acetylperoxy,E,DTXSID40957943,CC(=O)O[O]\n'UALD' , 84.1 ,'' ,-1 ,'' ,-1 ,'VD_UALD' , 1 ,'UALDOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!2-Methylbut-2-enal,L,DTXSID00859414,CC=C(C)C=O\n'KET' , 86.0 ,'' ,-1 ,'' ,-1 ,'VD_KET' , 1 ,'DIETHYLKETONE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Diethylketone,L,DTXSID6021820,CCC(=O)CC\n'MEK' , 72.1 ,'' ,-1 ,'' ,-1 ,'VD_MEK' , 1 ,'MEK' , 1 ,'' ,'' ,'Yes' ,'Yes','Yes' ,'Yes',!Methyl ethyl ketone,E,DTXSID3021516,CCC(C)=O\n'HKET' , 74.0 ,'' ,-1 ,'' ,-1 ,'VD_HKET' , 1 ,'HYDROXY-ACETONE' , 1 ,'' ,'' ,'Yes' ,'Yes','Yes' ,'Yes',!Hydroxy acetone,L,DTXSID8051590,CC(=O)CO\n'MACR' , 70.0 ,'' ,-1 ,'' ,-1 ,'VD_MACR' , 1 ,'METHACROLEIN' , 1 ,'' ,'' ,'Yes' ,'Yes','Yes' ,'Yes',!Methacrolein,L,DTXSID0052540,CC(=C)C=O\n'MACP' ,101.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(2-methylprop-2-enoyl)peroxy,L,NA,CC(=C)C(=O)O[O]\n'XO2' , 1.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!NA,NA,NA,NA\n'MVK' , 70.1 ,'' ,-1 ,'' ,-1 ,'VD_MVK' , 1 ,'MVK' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Methyl vinyl ketone,E,DTXSID3025671,CC(=O)C=C\n'GLY' , 58.0 ,'' ,-1 ,'' ,-1 ,'VD_GLY' , 1 ,'GLYOXAL' , 1 ,'' ,'GLY' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Glyoxal,L,DTXSID5025364,O=CC=O\n'MGLY' , 72.0 ,'' ,-1 ,'' ,-1 ,'VD_MGLY' , 1 ,'METHYL_GLYOXAL' , 1 ,'' ,'MGLY' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Methyl glyoxal,L,DTXSID0021628,CC(=O)C=O\n'DCB1' , 98.0 ,'' ,-1 ,'' ,-1 ,'VD_DCB1' , 1 ,'METHACROLEIN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!2-methylbut-2-enedial,L,NA,O=CC=C(C)C=O\n'DCB2' ,112.1 ,'' ,-1 ,'' ,-1 ,'VD_DCB2' , 1 ,'METHACROLEIN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!2-methyl-4-oxopent-2-enal,L,NA,O=CC(=CC(=O)C)C\n'BALD' ,106.0 ,'' ,-1 ,'' ,-1 ,'VD_BALD' , 1 ,'BENZALDEHYDE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Benzaldehyde,L,DTXSID8039241,O=CC1=CC=CC=C1\n'CHO' ,139.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!4-hydroxy-3;5-dimethylcyclohexa-2;5-dien-1-yloxidanyl,L,NA,[O]C1C=C(C)C(O)C(=C1)C\n'OP1' , 48.0 ,'' ,-1 ,'' ,-1 ,'VD_OP1' , 1 ,'METHYLHYDROPEROX', 1 ,'' ,'MHP' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Methyl hydroperoxide,E,DTXSID10184401,COO\n'OP2' , 62.0 ,'' ,-1 ,'' ,-1 ,'VD_OP2' , 1 ,'METHYLHYDROPEROX', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Ethyl hydroperoxide,L,DTXSID70184402,CCOO\n'OPB' ,186.2 ,'' ,-1 ,'' ,-1 ,'VD_OPB' , 1 ,'METHYLHYDROPEROX', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!2-hydroperoxy-2;6;6-trimethylbicyclo[3.1.1]heptan-3-ol,L,NA,OOC1(C)C(O)CC2CC1C2(C)C\n'OP3' ,176.2 ,'' ,-1 ,'' ,-1 ,'VD_OP3' , 1 ,'METHYLHYDROPEROX', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!5-hydroperoxy-6-hydroxyoctan-3-one,L,NA,CCC(=O)CC(OO)C(O)CC\n'PAA' , 76.0 ,'' ,-1 ,'' ,-1 ,'VD_PAA' , 1 ,'PEROXYACETIC_ACI', 1 ,'' ,'PAA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Peroxyacetic acid,L,DTXSID1025853,CC(=O)OO\n'ONIT' ,119.0 ,'' ,-1 ,'' ,-1 ,'VD_ONIT' , 1 ,'MPAN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Butan-2-yl nitrate,L,DTXSID00871813,CCC(C)O[N+](=O)[O-]\n'PAN' ,121.0 ,'' ,-1 ,'' ,-1 ,'VD_PAN' , 1 ,'PAN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Peroxyacetyl nitrate,L,DTXSID4062301,CC(=O)OON(=O)=O\n'N2O5' ,108.0 ,'' ,-1 ,'' ,-1 ,'VD_N2O5' , 1 ,'N2O5' , 1 ,'N2O5' ,'N2O5' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Dinitrogen pentoxide,E,DTXSID90143672,[N+](=O)([O-])O[N+](=O)[O-]\n'SO2' , 64.0 ,'' ,-1 ,'' ,-1 ,'VD_SO2' , 1 ,'SO2' , 1 ,'' ,'SO2' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Sulfur dioxide,E,DTXSID6029672,O=S=O\n'SULF' , 98.0 ,'' ,-1 ,'' ,-1 ,'VD_SULF' , 1 ,'H2SO4' , 1 ,'SULF' ,'H2SO4' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Sulfuric acid,E,DTXSID5029683,OS(=O)(=O)O\n'SULRXN' , 98.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'SULPRD' ,'' ,'' ,'' ,'' ,'' ,!NA,NA,NA,NA\n'ETH' , 30.1 ,'' ,-1 ,'' ,-1 ,'VD_ETH' , 1 ,'ETHANE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Ethane,E,DTXSID6026377,CC\n'HC3' , 44.1 ,'' ,-1 ,'' ,-1 ,'VD_HC3' , 1 ,'HC3OPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Propane,L,DTXSID5026386,CCC\n'HC3P' , 75.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!Isopropyl peroxy,L,NA,CC(C)O[O]\n'HC5' , 72.1 ,'' ,-1 ,'' ,-1 ,'VD_HC5' , 1 ,'HC5OPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Pentane,L,DTXSID2025846,CCCCC\n'HC5P' ,103.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!Pentan-3-ylperoxy,L,NA,CCC(O[O])CC\n'HC10' ,142.28 ,'' ,-1 ,'' ,-1 ,'VD_HC10' , 1 ,'HC10OPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Decane,L,DTXSID6024913,CCCCCCCCCC\n'HC10P' ,173.27 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!Decan-3-ylperoxy,L,NA,CCCCCCCC(CC)O[O]\n'HC10P2' ,189.27 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(8-hydroxydecan-5-yl)peroxy,L,NA,CCCCC(O[O])CCC(O)CC\n'ETE' , 28.1 ,'' ,-1 ,'' ,-1 ,'VD_ETE' , 1 ,'ETHENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Ethylene,E,DTXSID1026378,C=C\n'ETEP' , 77.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(2-hydroxyethyl)peroxy,E,NA,OCCO[O]\n'OLT' , 42.0 ,'' ,-1 ,'' ,-1 ,'VD_OLT' , 1 ,'OLTOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!1-Propene,L,DTXSID5021205,CC=C\n'OLTP' , 91.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(1-hydroxypropan-2-yl)peroxy,L,NA,CC(CO)O[O]\n'OLI' , 70.1 ,'' ,-1 ,'' ,-1 ,'VD_OLI' , 1 ,'OLIOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!2-Methyl-2-butene,L,DTXSID8027165,CC=C(C)C\n'OLIP' ,119.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(3-hydroxy-2-methylbutan-2-yl)peroxy,L,NA,[O]OC(C)(C)C(C)O\n'ACE' , 26.0 ,'' ,-1 ,'' ,-1 ,'VD_ACE' , 1 ,'ACETYLENE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Acetylene,E,DTXSID6026379,C#C\n'ORA1' , 46.0 ,'' ,-1 ,'' ,-1 ,'VD_ORA1' , 1 ,'ORA1OPERA' , 1 ,'' ,'FOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Formic acid,E,DTXSID2024115,OC=O\n'BEN' , 78.11 ,'' ,-1 ,'' ,-1 ,'VD_BEN' , 1 ,'BENOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Benzene,E,DTXSID3039242,C1=CC=CC=C1\n'BENP' ,159.12 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!{8-hydroxy-6;7-dioxabicyclo[3.2.1]oct-3-en-2-yl}peroxy,L,NA,[O]OC1C=CC2OOC1C2O\n'PHEN' ,110.1 ,'' ,-1 ,'' ,-1 ,'VD_PHEN' , 1 ,'PHENOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Resorcinol,L,DTXSID2021238,OC1=CC(O)=CC=C1\n'TOL' ,92.14 ,'' ,-1 ,'' ,-1 ,'VD_TOL' , 1 ,'TOLOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Toluene,E,DTXSID7021360,CC1=CC=CC=C1\n'CSL' ,136.2 ,'' ,-1 ,'' ,-1 ,'VD_CSL' , 1 ,'CSLOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!2-Phenylpropan-2-ol,L,DTXSID3027247,CC(C)(O)C1=CC=CC=C1\n'XYL' ,106.2 ,'' ,-1 ,'' ,-1 ,'VD_XYL' , 1 ,'XYLOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!m-Xylene,L,DTXSID6026298,CC1=CC(C)=CC=C1\n'EBZ' ,106.2 ,'' ,-1 ,'' ,-1 ,'VD_EBZ' , 1 ,'EBZOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Ethylbenzene,L,DTXSID3020596,CCC1=CC=CC=C1\n'STY' ,104.0 ,'' ,-1 ,'' ,-1 ,'VD_STY' , 1 ,'STYOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Styrene,E,DTXSID2021284,C=CC1=CC=CC=C1\n'TOLP' ,173.14 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!{8-hydroxy-5-methyl-6;7-dioxabicyclo[3.2.1]oct-3-en-2-yl}peroxy,L,NA,[O]OC1C=CC2(C)OOC1C2O\n'XYLP' ,187.17 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!{8-hydroxy-1;5-dimethyl-6;7-dioxabicyclo[3.2.1]oct-3-en-2-yl}peroxy,L,NA,[O]OC1C=CC2(C)OOC1(C)C2O\n'EBZP' ,187.17 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!{5-ethyl-8-hydroxy-6;7-dioxabicyclo[3.2.1]oct-3-en-2-yl}peroxy,L,NA,[O]OC1C=CC2(CC)OOC1C2O\n'STYP' ,153.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(2-hydroxy-2-phenylethyl)peroxy,E,NA,[O]OCC(O)C1=CC=CC=C1\n'ISO' , 68.1 ,'' ,-1 ,'' ,-1 ,'VD_ISO' , 1 ,'ISOOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Isoprene,E,DTXSID2020761,CC(=C)C=C\n'ISOP' ,117.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(1-hydroxy-3-methylbut-3-en-2-yl)peroxy,L,NA,OCC(O[O])C(C)=C\n'API' ,136.4 ,'' ,-1 ,'' ,-1 ,'VD_API' , 1 ,'APIOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!alpha-pinene,L,DTXSID4026501,CC1=CCC2CC1C2(C)C\n'APIP1' ,185.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!{3-hydroxy-2;6;6-trimethylbicyclo[3.1.1]heptan-2-yl}peroxy,L,NA,[O]OC1(C)C(O)CC2CC1C2(C)C\n'APIP2' ,185.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!{3-hydroxy-2;6;6-trimethylbicyclo[3.1.1]heptan-2-yl}peroxy,L,NA,[O]OC1(C)C(O)CC2CC1C2(C)C\n'APINP1' ,230.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',![2;6;6-trimethyl-3-(nitrooxy)bicyclo[3.1.1]heptan-2-yl]peroxy,L,NA,[O]OC1(C)C(ON(=O)=O)CC2CC1C2(C)C\n'APINP2' ,230.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',![2;6;6-trimethyl-3-(nitrooxy)bicyclo[3.1.1]heptan-2-yl]peroxy,L,NA,[O]OC1(C)C(ON(=O)=O)CC2CC1C2(C)C\n'PINAL' ,168.0 ,'' ,-1 ,'' ,-1 ,'VD_PINAL' , 1 ,'GENERIC_ALDEHYDE', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Pinonaldehyde,L,NA,O=CCC1CC(C(=O)C)C1(C)C\n'PINALP' ,199.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',![3-acetyl-2;2-dimethyl-1-(2-oxoethyl)cyclobutyl]peroxy,L,NA,O=CCC1(O[O])CC(C(=O)C)C1(C)C\n'LIM' ,136.3 ,'' ,-1 ,'' ,-1 ,'VD_LIM' , 1 ,'LIMOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!D-Limonene,L,DTXSID1020778,CC(=C)[C@@H]1CCC(C)=CC1\n'LIMP1' ,185.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',![2-hydroxy-1-methyl-4-(prop-1-en-2-yl)cyclohexyl]peroxy,L,NA,[O]OC1(C)CCC(CC1O)C(=C)C\n'LIMP2' ,185.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',![2-hydroxy-1-methyl-4-(prop-1-en-2-yl)cyclohexyl]peroxy,L,NA,[O]OC1(C)CCC(CC1O)C(=C)C\n'LIMNP1' ,230.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',![1-methyl-2-(nitrooxy)-4-(prop-1-en-2-yl)cyclohexyl]peroxy,L,NA,[O-][N+](=O)OC1CC(CCC1(C)O[O])C(=C)C\n'LIMNP2' ,230.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',![1-methyl-2-(nitrooxy)-4-(prop-1-en-2-yl)cyclohexyl]peroxy,L,NA,[O-][N+](=O)OC1CC(CCC1(C)O[O])C(=C)C\n'LIMAL' ,168.0 ,'' ,-1 ,'' ,-1 ,'VD_LIMAL' , 1 ,'UALDOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Limonaldehyde,L,NA,O=CCC(CCC(=O)C)C(=C)C\n'LIMALP' ,217.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',![1-hydroxy-2-methyl-5-oxo-3-(3-oxobutyl)pentan-2-yl]peroxy,L,NA,O=CCC(CCC(=O)C)C(C)(CO)O[O]\n'HOM' ,250.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'HOM' ,'' ,'' ,'' ,'' ,'Yes',!6;7-dihydroperoxy-3;3;6-trimethyl-tetrahydro-3aH-1;2-benzodioxol-5-ol,L,NA,OC1CC2C(OOC2(C)C)C(OO)C1(C)OO\n'ELHOM' ,402.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'ELHOM' ,'' ,'' ,'' ,'' ,'Yes',!6-hydroperoxy-7-({3-hydroxy-2;6;6-trimethylbicyclo[3.1.1]heptan-2-yl}peroxy)-3;3;6-trimethyl-tetrahydro-3aH-1;2-benzodioxol-5-ol,L,NA,OC1CC2C(OOC2(C)C)C(OOC3(C)C4C(C)(C)C(C4)CC3O)C1(C)OO\n'RCO3' , 89.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!Propanoylperoxy,L,NA,CCC(=O)O[O]\n'ACTP' , 89.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(2-oxopropyl)peroxy,E,NA,CC(=O)CO[O]\n'MEKP' ,103.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(3-oxobutyl)peroxy,L,NA,[O]OCCC(=O)C\n'KETP' ,117.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(3-oxopentan-2-yl)peroxy,L,NA,CCC(C(C)O[O])=O\n'MCP' ,119.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(1-hydroxy-2-methyl-3-oxopropan-2-yl)peroxy,L,NA,OCC(C)(O[O])C=O\n'MVKP' ,119.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(2-hydroxy-3-oxobutyl)peroxy,L,NA,CC(=O)C(O)CO[O]\n'UALP' ,133.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(3-hydroxy-3-methyl-4-oxobutan-2-yl)peroxy,L,NA,CC(O[O])C(C)(O)C=O\n'DCB3' , 84.0 ,'' ,-1 ,'' ,-1 ,'VD_DCB3' , 1 ,'METHACROLEIN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!but-2-enedial,L,NA,O=CC=CC=O\n'BALP' ,137.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!benzoylperoxy,L,NA,O=C(O[O])C1=CC=CC=C1\n'ADDC' ,125.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!3-methyl-5-oxocyclohex-3-en-1-yloxidanyl,L,NA,CC1=CC(O)=CC([O])C1\n'MCT' ,124.1 ,'' ,-1 ,'' ,-1 ,'VD_MCT' , 1 ,'MCTOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!4-Methylcatechol,L,DTXSID5020861,CC1=CC(O)=C(O)C=C1\n'MCTO' ,123.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!3-hydroxy-5-methylphenyloxidanyl,L,NA,CC1=CC(O)=CC([O])=C1\n'MOH' , 32.0 ,'' ,-1 ,'' ,-1 ,'VD_MOH' , 1 ,'METHANOL' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Methanol,E,DTXSID2021731,CO\n'EOH' , 46.1 ,'' ,-1 ,'' ,-1 ,'VD_EOH' , 1 ,'ETHANOL' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Ethanol,E,DTXSID9020584,CCO\n'ROH' , 60.0 ,'' ,-1 ,'' ,-1 ,'VD_ROH' , 1 ,'N-PROPANOL' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Propanol,L,DTXSID2021739,CCCO\n'ETEG' , 62.1 ,'' ,-1 ,'' ,-1 ,'VD_ETEG' , 1 ,'ETHYLENEGLYCOL' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Ethylene glycol,E,DTXSID8020597,OCCO\n'ISHP' ,118.0 ,'' ,-1 ,'' ,-1 ,'VD_ISHP' , 1 ,'METHACROLEIN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!2-hydroperoxy-2-methylbut-3-en-1-ol,L,NA,C=CC(OO)(CO)C\n'IEPOX' ,118.1 ,'' ,-1 ,'' ,-1 ,'VD_IEPOX' , 1 ,'HYDROXY_PEROXIDE', 1 ,'IEPOX' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Isoprene epoxydiol,E,NA,OCC1OC1(C)CO\n'IEPOXP' ,118.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!NA,NA,NA,NA\n'MAHP' ,102.0 ,'' ,-1 ,'' ,-1 ,'VD_MAHP' , 1 ,'METHACROLEIN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!2-methylprop-2-eneperoxoic acid,L,NA,C=C(C)C(OO)=O\n'ORA2' , 60.2 ,'' ,-1 ,'' ,-1 ,'VD_ORA2' , 1 ,'ORA2OPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Acetic acid,L,DTXSID5024394,CC(O)=O\n'ORAP' , 91.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(carboxymethyl)peroxy,L,NA,[O]OCC(=O)O\n'PPN' ,135.0 ,'' ,-1 ,'' ,-1 ,'VD_PPN' , 1 ,'PPN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Peroxypopionyl nitrate,E,DTXSID90206675,CCC(=O)OO[N+](=O)[O-]\n'MPAN' ,147.1 ,'' ,-1 ,'' ,-1 ,'VD_MPAN' , 1 ,'MPAN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Peroxymethacryloyl nitrate,L,DTXSID10236878,O=N(=O)OOC(=O)C(=C)C\n'INALD' ,195.1 ,'' ,-1 ,'' ,-1 ,'VD_INALD' , 1 ,'INALDOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!2-hydroperoxy-4-hydroxy-3-methyl-3-(nitrooxy)butanal,L,NA,CC(CO)(O[N+](=O)O)C(C=O)OO\n'INO2' ,162.1 ,'' ,-1 ,'' ,-1 ,'' , 1 ,'' , 1 ,'' ,'' ,'' ,'' ,'' ,'Yes',![(2E)-3-methyl-4-(nitrooxy)but-2-en-1-yl]peroxy,L,NA,C/C(=C\\CO[O])CON(=O)=O\n'ISON' ,147.0 ,'' ,-1 ,'' ,-1 ,'VD_ISON' , 1 ,'2NITRO_1BUTNL' , 1 ,'ISON' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!2-methyl-2-(nitrooxy)but-3-en-1-ol,L,NA,OCC(C)(C=C)ON(=O)=O\n'IPX' ,150.1 ,'' ,-1 ,'' ,-1 ,'VD_IPX' , 1 ,'IPXOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!3-(1-hydroperoxy-2-hydroxypropan-2-yl)oxiran-2-ol,L,NA,CC(O)(COO)C1OC1O\n'TRPN' ,215.0 ,'' ,-1 ,'' ,-1 ,'VD_TRPN' , 1 ,'2NITRO_1BUTNL' , 1 ,'TRPN' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!3-hydroxy-2;6;6-trimethylbicyclo[3.1.1]heptan-2-yl nitrate,L,NA,O=N(=O)OC1(C)C(O)CC2CC1C2(C)C\n'HONIT' ,265.0 ,'' ,-1 ,'' ,-1 ,'VD_HONIT' , 1 ,'2NITRO_1BUTNL' , 1 ,'HONIT' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!2-(3-hydroperoxy-4;5-dihydroxy-4-methylcyclohexyl)propan-2-yl nitrate,L,NA,CC(C)(O[N+]([O-])=O)C1CC(O)C(C)(O)C(C1)OO\n'MCTP' ,172.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!C7H8O5 Biradical,L,NA,CC(/C=C\\[C](O[O])O)=C/C(O)=O\n'OLNN' ,136.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',![1-(nitrooxy)propan-2-yl]peroxy,L,NA,CC(O[O])CO[N+]([O-])=O\n'OLND' ,136.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',![1-(nitrooxy)propan-2-yl]peroxy,L,NA,CC(O[O])CO[N+]([O-])=O\n'ADCN' ,155.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!4-oxocyclohex-2-en-1-yl nitrate,L,NA,OC1=C[C]C(O[N+]([O-])=O)C=C1\n'BAL1' ,123.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(4-methylphenyl)peroxy,L, NA, [O]OC1=CC=C(C)C=C1\n'BAL2' ,109.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!phenylperoxy,L, NA, [O]OC1=CC=CC=C1\n'ACRO' , 56.1 ,'' ,-1 ,'' ,-1 ,'VD_ACRO' , 1 ,'ACROOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Acrolein,E,DTXSID5020023,C=CC=O\n'BDE13' , 54.1 ,'' ,-1 ,'' ,-1 ,'VD_BDE13' , 1 ,'BDE13OPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!1;3-Butadiene,E,DTXSID3020203,C=CC=C\n'BDE13P' ,103.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' , 1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(1-hydroxybut-3-en-2-yl)peroxy,L,NA,C=CC(O[O])CO\n'PROG' , 76.1 ,'' ,-1 ,'' ,-1 ,'VD_PROG' , 1 ,'PROGOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!1;2-Propylene glycol,E,DTXSID0021206,CC(O)CO\n'FURAN' , 96.1 ,'' ,-1 ,'' ,-1 ,'VD_FURAN' , 1 ,'FURANOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Furfural,L,DTXSID1020647,O=CC1=CC=CO1\n'FURANO2' ,145.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' , 1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(2-formyl-5-hydroxy-5H-furan-2-yl)peroxy,L,NA,OC1C=CC(O1)(O[O])(C=O)\n'FURANONE' ,100.1 ,'' ,-1 ,'' ,-1 ,'VD_FURANONE' , 1 ,'FURANONEOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!2-hydroxy-2H-furan-5-one,L,DTXSID10930763,C1=CC(=O)OC1O\n'VROCIOXY' ,247.0 ,'' ,-1 ,'' ,-1 ,'VD_VROCIOXY' , 1 ,'ROCIOXYOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Decamethylcyclopentasiloxane,L,DTXSID1027184,C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1\n'SLOWROC' , 75.4 ,'' ,-1 ,'' ,-1 ,'VD_SLOWROC' , 1 ,'SLOWROCOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Hydrogen cyanide,L,DTXSID9024148,C#N\n'SESQ' ,204.4 ,'' ,-1 ,'' ,-1 ,'VD_SESQ' , 1 ,'SESQOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!b-caryophyllene,L,DTXSID8024739,C/C1=C/CCC(=C)C2CC(C)(C)C2CC\\1\n'SESQRO2' ,253.4 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!{5-hydroxy-4;11;11-trimethyl-8-methylidenebicyclo[7.2.0]undecan-4-yl}peroxy,L,NA,[O]OC1(C)CCC2C(CC2(C)C)C(=C)CCC1O\n'SESQNRO2' ,298.4 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',![4;11;11-trimethyl-8-methylidene-5-(nitrooxy)bicyclo[7.2.0]undecan-4-yl]peroxy,L,NA,[O]OC1(C)CCC2C(CC2(C)C)C(=C)CCC1O[N+](=O)[O-]\n'NAPH' ,128.17 ,'' ,-1 ,'' ,-1 ,'VD_NAPH' , 1 ,'NAPHOPERA' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Naphthalene,L,DTXSID8020913,C1=CC2=CC=CC=C2C=C1\n'NAPHP' ,209.17 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!{8-hydroxy-10;11-dioxatricyclo[7.2.1.0^{2;7}]dodeca-2;4;6-trien-12-yl}peroxy,L,NA,C12=CC=CC=C1C3OOC(C3O[O])C2(O)\n'VROCP5ARO' ,190.33 ,'' ,-1 ,'' ,-1 ,'VD_VROCP5ARO' , 1 ,'VROCP5AROOPERA' , 1 ,'VROCP5ARO' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Benzene; octyl-,L, DTXSID2062240, CCCCCCCCC1=CC=CC=C1\n'VROCP6ARO' ,176.30 ,'' ,-1 ,'' ,-1 ,'VD_VROCP6ARO' , 1 ,'VROCP6AROOPERA' , 1 ,'VROCP6ARO' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!1-Hexyl-4-methylbenzene,L, DTXSID30333914, CCCCCCC1=CC=C(C)C=C1\n'VROCP5AROP' ,271.33 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' , -1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!{8-hydroxy-5-octyl-6;7-dioxabicyclo[3.2.1]oct-3-en-2-yl}peroxy,L,NA,CCCCCCCCC1(OO2)C=CC(O[O])C2C1O\n'VROCP6AROP' ,257.30 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' , -1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!{2-hexyl-8-hydroxy-5-methyl-6;7-dioxabicyclo[3.2.1]oct-3-en-2-yl}peroxy,L, NA, OC1C2C(CCCCCC)(O[O])C=CC1(C)OO2\n'VROCN2ALK' ,422.83 ,'' ,-1 ,'' ,-1 ,'VD_VROCN2ALK' , 1 ,'VROCN2ALKOPERA' , 1 ,'VROCN2ALK' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Triacontane,L, DTXSID0060935, CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC\n'VROCN1ALK' ,408.80 ,'' ,-1 ,'' ,-1 ,'VD_VROCN1ALK' , 1 ,'VROCN1ALKOPERA' , 1 ,'VROCN1ALK' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!5;9-Dimethylheptacosane,L, DTXSID40823452, CCCCCCCCCCCCCCCCCCC(C)CCCC(C)CCCC\n'VROCP0ALK' ,394.77 ,'' ,-1 ,'' ,-1 ,'VD_VROCP0ALK' , 1 ,'VROCP0ALKOPERA' , 1 ,'VROCP0ALK' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!11-Methylheptacosane,L, DTXSID40333900, CCCCCCCCCCCCCCCCC(C)CCCCCCCCCC\n'VROCP1ALK' ,380.75 ,'' ,-1 ,'' ,-1 ,'VD_VROCP1ALK' , 1 ,'VROCP1ALKOPERA' , 1 ,'VROCP1ALK' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Heptacosane,L, DTXSID6058637, CCCCCCCCCCCCCCCCCCCCCCCCCCC\n'VROCP2ALK' ,338.66 ,'' ,-1 ,'' ,-1 ,'VD_VROCP2ALK' , 1 ,'VROCP2ALKOPERA' , 1 ,'VROCP2ALK' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Tetracosane,L, DTXSID8060955, CCCCCCCCCCCCCCCCCCCCCCCC\n'VROCP3ALK' ,296.58 ,'' ,-1 ,'' ,-1 ,'VD_VROCP3ALK' , 1 ,'VROCP3ALKOPERA' , 1 ,'VROCP3ALK' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Heneicosane,L, DTXSID9047097, CCCCCCCCCCCCCCCCCCCCC\n'VROCP4ALK' ,254.50 ,'' ,-1 ,'' ,-1 ,'VD_VROCP4ALK' , 1 ,'VROCP4ALKOPERA' , 1 ,'VROCP4ALK' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Octadecane,L, DTXSID9047172, CCCCCCCCCCCCCCCCCC\n'VROCP5ALK' ,198.39 ,'' ,-1 ,'' ,-1 ,'VD_VROCP5ALK' , 1 ,'VROCP5ALKOPERA' , 1 ,'VROCP5ALK' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Tetradecane,L, DTXSID1027267, CCCCCCCCCCCCCC\n'VROCP6ALK' ,184.37 ,'' ,-1 ,'' ,-1 ,'VD_VROCP6ALK' , 1 ,'VROCP6ALKOPERA' , 1 ,'VROCP6ALK' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Tridecane,L, DTXSID6027266, CCCCCCCCCCCCC\n'VROCP1ALKP' ,411.74 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' , -1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!heptacosan-3-ylperoxy,L,NA,CCCCCCCCCCCCCCCCCCCCCCCCC(CC)O[O]\n'VROCP2ALKP' ,369.65 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' , -1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!tetracosan-3-ylperoxy,L,NA,CCCCCCCCCCCCCCCCCCCCCC(CC)O[O]\n'VROCP3ALKP' ,327.57 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' , -1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!henicosan-3-ylperoxy,L,NA,CCCCCCCCCCCCCCCCCCC(CC)O[O]\n'VROCP4ALKP' ,285.49 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' , -1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!octadecan-3-ylperoxy,L,NA,CCCCCCCCCCCCCCCC(CC)O[O]\n'VROCP5ALKP' ,229.38 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' , -1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!tetradecan-3-ylperoxy,L,NA,CCCCCCCCCCCC(CC)O[O]\n'VROCP6ALKP' ,215.36 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' , -1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!tridecan-3-ylperoxy,L,NA,CCCCCCCCCCC(CC)O[O]\n'VROCP1ALKP2' ,427.73 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' , -1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(3-hydroxyheptacosan-6-yl)peroxy,L,NA,CCCCCCCCCCCCCCCCCCCCCC(O[O])CCC(O)CC\n'VROCP2ALKP2' ,385.65 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' , -1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(3-hydroxytetracosan-6-yl)peroxy,L,NA,CCCCCCCCCCCCCCCCCCC(O[O])CCC(O)CC\n'VROCP3ALKP2' ,343.57 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' , -1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(3-hydroxyhenicosan-6-yl)peroxy,L,NA,CCCCCCCCCCCCCCCC(O[O])CCC(O)CC\n'VROCP4ALKP2' ,301.49 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' , -1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(3-hydroxyoctadecan-6-yl)peroxy,L,NA,CCCCCCCCCCCCC(O[O])CCC(O)CC\n'VROCP5ALKP2' ,245.38 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' , -1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(3-hydroxytetradecan-6-yl)peroxy,L,NA,CCCCCCCCC(O[O])CCC(O)CC\n'VROCP6ALKP2' ,231.36 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' , -1 ,'' ,'' ,'' ,'' ,'' ,'Yes',!(3-hydroxytridecan-6-yl)peroxy,L,NA,CCCCCCCC(O[O])CCC(O)CC\n'VROCN2OXY2' ,282.4 ,'' ,-1 ,'' ,-1 ,'VD_VROCN2OXY2' , 1 ,'VROCN2OXY2OPERA', 1 ,'VROCN2OXY2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!12(S)-hydroxy-16-Heptadecynoic Acid,L,NA,C#CCCC[C@H](CCCCCCCCCCC(=O)O)O\n'VROCN2OXY4' ,232.3 ,'' ,-1 ,'' ,-1 ,'VD_VROCN2OXY4' , 1 ,'VROCN2OXY4OPERA', 1 ,'VROCN2OXY4' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!2-HYDROXYUNDECANEDIOIC ACID,L,DTXSID90726525,C(CCCCC(=O)O)CCCC(C(=O)O)O\n'VROCN2OXY8' ,194.2 ,'' ,-1 ,'' ,-1 ,'VD_VROCN2OXY8' , 1 ,'VROCN2OXY8OPERA', 1 ,'VROCN2OXY8' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!3;4;5;6;7-Pentahydroxyheptan-2-one,L,DTXSID80956455,CC(=O)C(C(C(C(CO)O)O)O)O\n'VROCN1OXY1' ,312.5 ,'' ,-1 ,'' ,-1 ,'VD_VROCN1OXY1' , 1 ,'VROCN1OXY1OPERA', 1 ,'VROCN1OXY1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Arachidic Acid,L,DTXSID1060134,CCCCCCCCCCCCCCCCCCCC(=O)O\n'VROCN1OXY3' ,230.3 ,'' ,-1 ,'' ,-1 ,'VD_VROCN1OXY3' , 1 ,'VROCN1OXY3OPERA', 1 ,'VROCN1OXY3' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!DODECANEDIOIC ACID,L,DTXSID3027297,C(CCCCCC(=O)O)CCCCC(=O)O\n'VROCN1OXY6' ,190.2 ,'' ,-1 ,'' ,-1 ,'VD_VROCN1OXY6' , 1 ,'VROCN1OXY6OPERA', 1 ,'VROCN1OXY6' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!2-hydroxy-octanedioic acid,L,NA,C(CCC(C(=O)O)O)CCC(=O)O\n'VROCP0OXY2' ,242.4 ,'' ,-1 ,'' ,-1 ,'VD_VROCP0OXY2' , 1 ,'VROCP0OXY2OPERA', 1 ,'VROCP0OXY2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!3-oxotetradecanoic acid,L,DTXSID10332384,CCCCCCCCCCCC(=O)CC(=O)O\n'VROCP0OXY4' ,202.3 ,'' ,-1 ,'' ,-1 ,'VD_VROCP0OXY4' , 1 ,'VROCP0OXY4OPERA', 1 ,'VROCP0OXY4' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!DECANEDIOIC ACID,L,DTXSID7026867,C(CCCCC(=O)O)CCCC(=O)O\n'VROCP1OXY1' ,270.5 ,'' ,-1 ,'' ,-1 ,'VD_VROCP1OXY1' , 1 ,'VROCP1OXY1OPERA', 1 ,'VROCP1OXY1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!HEPTADECANOIC ACID,L,DTXSID5021596,CCCCCCCCCCCCCCCCC(=O)O\n'VROCP1OXY3' ,202.3 ,'' ,-1 ,'' ,-1 ,'VD_VROCP1OXY3' , 1 ,'VROCP1OXY3OPERA', 1 ,'VROCP1OXY3' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!11-hydroxyundecanoic acid,L,DTXSID40190136,C(CCCCCO)CCCCC(=O)O\n'VROCP2OXY2' ,200.3 ,'' ,-1 ,'' ,-1 ,'VD_VROCP2OXY2' , 1 ,'VROCP2OXY2OPERA', 1 ,'VROCP2OXY2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Dodecanoic Acid,L,DTXSID5021590,CCCCCCCCCCCC(=O)O\n'VROCP3OXY2' ,186.3 ,'' ,-1 ,'' ,-1 ,'VD_VROCP3OXY2' , 1 ,'VROCP3OXY2OPERA', 1 ,'VROCP3OXY2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!11-hydroxyundecanal,L,NA,C(CCCCCO)CCCCC=O\n'VROCP4OXY2' ,158.2 ,'' ,-1 ,'' ,-1 ,'VD_VROCP4OXY2' , 1 ,'VROCP4OXY2OPERA', 1 ,'VROCP4OXY2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!2-Ethylheptanoic Acid,L,DTXSID40880929,CCCCCC(CC)C(=O)O\n'VROCP5OXY1' ,170.3 ,'' ,-1 ,'' ,-1 ,'VD_VROCP5OXY1' , 1 ,'VROCP5OXY1OPERA', 1 ,'VROCP5OXY1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Undecanal,L,DTXSID4021688,CCCCCCCCCCC=O\n'VROCP6OXY1' ,142.2 ,'' ,-1 ,'' ,-1 ,'VD_VROCP6OXY1' , 1 ,'VROCP6OXY1OPERA', 1 ,'VROCP6OXY1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Nonanal,L,DTXSID9021639,CCCCCCCCC=O\n'ECH4' ,16.0 ,'' ,-1 ,'' ,-1 ,'VD_METHANE' , 1 ,'METHANE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Methane,E,DTXSID8025545,C\n/\n" }, { "path": "CCTM/src/MECHS/cracmm2/NR_cracmm2.nml", "content": "&NR_nml\n\nNR_SPECIES_DATA = \n\n!SPECIES ,MOLWT ,IC ,IC_FAC ,BC ,BC_FAC ,DRYDEP SURR ,FAC ,WET-SCAV SURR ,FAC ,NR2AE SURR ,NR2AQ SURR,TRNS ,DDEP ,WDEP ,CONC ,!RepCmp,ExplicitorLumped,DTXSID,SMILES\n'NH3' , 17.0 ,'' ,-1 ,'' ,-1 ,'VD_NH3' , 1 ,'NH3' , 1 ,'NH3' ,'NH3' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Ammonia,E,DTXSID0023872,N\n'HCL' , 36.0 ,'' ,-1 ,'' ,-1 ,'VD_HCL' , 1 ,'HCL' , 1 ,'HCL' ,'HCL' ,'Yes' ,'Yes' ,'Yes' ,'Yes',!Hydrochloric acid,E,DTXSID2020711,Cl\n/\n" }, { "path": "CCTM/src/MECHS/cracmm2/RXNS_DATA_MODULE.F90", "content": " MODULE RXNS_DATA\n\n\n IMPLICIT NONE\n\n\n\n! --------- Photochemical Mechanism Reactions, Rates, etc. DAT ---------\n! Source file: /work/MOD3DEV/tskipper/cracmm_hcho/20240315_run_chemmech/UTIL/chemmech/input/cracmm2/mech_cracmm2.def\n! for Mechanism Name: CRACMM2 \n\n! This file is used to create mechanism data and functions\n\n! The following are reserved symbols declared in this file:\n! MECHNAME = Mechanism name\n! N_GAS_CHEM_SPC = Total number of gas species in chemical mechanism\n! NUMB_MECH_SPC = Total number of species in chemical mechanism\n! N_ACT_SP = Number of active (determined by ODE solver) species in mechanism\n! GAS_CHEM_SPC = Names of gas species in chemical mechanism\n! CHEMISTRY_SPC = Names of species in chemical mechanism\n! CGRID_INDEX = CGRID Index of species in chemical mechanism\n! SPECIES_TYPE = Group or type of species \n! SPECIES_MOLWT = Molecular Weight of species (gm/mole)\n! NRXNS = Number of mechanism reactions\n! ZERO_REACT_REACTIONS = number zero reactant reactions\n! ONE_REACT_REACTIONS = number one reactant reactions\n! TWO_REACT_REACTIONS = number second order reactions\n! THREE_REACT_REACTIONS = number three reactant reactions\n! NSUNLIGHT_RXNS = Number of mechanism reactions requiring sunlight\n! NTHERMAL_RXNS = Number of mechanism reactions not requiring sunlight\n! KUNITS = Units of mechanism reactions\n! KTYPE = Reaction type\n! IRXBITS = Bit test mask vector for selected reactions\n! IORDER = Order of the reaction\n! NTERMS_JACOB = Maximum number of nonzero terms in day/night Jacobian\n! MSTEPS_JACOB = Maximum number of LU Decomposition steps to solve each Jacobian\n! KTN1 = Number of type 1 reactions\n! KRX1 = Reactions list pointer to type 1 reactions\n! KTN2 = Number of type 2 reactions\n! KRX2 = Reactions list pointer to type 2 reactions\n! KTN3 = Number of type 3 reactions\n! KRX3 = Reactions list pointer to type 3 reactions\n! KTN4 = Number of type 4 reactions\n! KRX4 = Reactions list pointer to type 4 reactions\n! KTN5 = Number of type 5 reactions\n! KRX5 = Reactions list pointer to type 5 reactions\n! KTN6 = Number of type 6 reactions\n! KRX6 = Reactions list pointer to type 6 reactions\n! KTN7 = Number of type 7 reactions\n! KRX7 = Reactions list pointer to type 7 reactions\n\n! NWM = Number of air 3-body reactions\n! NRXWM = Reactions list pointer to air 3-body reactions\n! ATM_AIR = air 3-body reactions concentration\n! NWW = Number of H2O 3-body reactions\n! NRXWW = Reactions list pointer to H2O 3-body reactions\n! NWO2 = Number of reactions with O2\n! NRXWO2 = Reactions list pointer to O2 reactions\n! ATM_O2 = Oxygen reactions concentration\n! NWN2 = Number of N2 3-body reactions\n! NRXWN2 = Reactions list pointer to N2 3-body reactions\n! ATM_N2 = Nitrogen 3-body reactions concentration\n! NWCH4 = Number of reactions with CH4\n! NRXWCH4 = Reactions list pointer to CH4 reactions\n! ATM_CH4 = Methane reactions concentration\n! NWH2 = Number of reactions with H2\n! NRXWH2 = Reactions list pointer to H2 reactions\n! ATM_H2 = Hydrogen reactions concentration\n\n! MXPRD = Maximum number of mechanism reaction products\n! IRR = Reactions list pointer to reactants and products\n! RTDAT = Kinetic reaction rates expressions components\n! NFALLOFFF = Number of falloff reactions\n! IRRFALL = Reactions list pointer to falloff reactions\n! RFDAT = Falloff reaction rates expressions components\n! SC = Stoichiometric coefficients\n! NREACT = Number of reactants in each mechanism reaction\n! NPRDCT = Number of products in each mechanism reaction\n! RXLABEL = Character label list for mechanism reactions\n! NMPHOT = Number of mechanism photolytic reactions\n! NPHOTAB = Number of photolytic reactions tables\n! IPH = Reactions list pointer to photolytic reactions and tables\n! MHETERO = Number of mechanism heteorogenous reactions\n! NHETERO = Number of unique heteorogenous rate constants\n! IHETERO = Reactions list pointer to heteorogenous reactions and tables\n\n CHARACTER( 32 ), PARAMETER :: MECHNAME = 'CRACMM2'\n\n INTEGER, PARAMETER :: N_GAS_CHEM_SPC = 179\n INTEGER, PARAMETER :: NUMB_MECH_SPC = 189\n\n CHARACTER( 16 ) :: GAS_CHEM_SPC( N_GAS_CHEM_SPC )\n CHARACTER( 16 ) :: CHEMISTRY_SPC( NUMB_MECH_SPC )\n CHARACTER( 16 ) :: SPECIES_TYPE( NUMB_MECH_SPC )\n INTEGER :: CGRID_INDEX ( NUMB_MECH_SPC )\n INTEGER :: TYPE_INDEX ( NUMB_MECH_SPC )\n REAL( 8 ) :: SPECIES_MOLWT( NUMB_MECH_SPC )\n LOGICAL :: CONVERT_CONC( NUMB_MECH_SPC )\n\n! The below character and integer arrays list the model species names used in the \n! chemical mechanism. The gas species and their order should agree with \n! the GC_SPC array for the gas phase chemistry to work correctly. \n! If present, the CHEMISTRY_SPC names and species type should agree with the CGRID_SPCS module\n\n DATA GAS_CHEM_SPC( 1 ) / 'O3 ' /\n DATA GAS_CHEM_SPC( 2 ) / 'O3P ' /\n DATA GAS_CHEM_SPC( 3 ) / 'O1D ' /\n DATA GAS_CHEM_SPC( 4 ) / 'H2O2 ' /\n DATA GAS_CHEM_SPC( 5 ) / 'HO ' /\n DATA GAS_CHEM_SPC( 6 ) / 'NO2 ' /\n DATA GAS_CHEM_SPC( 7 ) / 'NO ' /\n DATA GAS_CHEM_SPC( 8 ) / 'NO3 ' /\n DATA GAS_CHEM_SPC( 9 ) / 'HONO ' /\n DATA GAS_CHEM_SPC( 10 ) / 'HNO3 ' /\n DATA GAS_CHEM_SPC( 11 ) / 'HNO4 ' /\n DATA GAS_CHEM_SPC( 12 ) / 'HO2 ' /\n DATA GAS_CHEM_SPC( 13 ) / 'HCHO ' /\n DATA GAS_CHEM_SPC( 14 ) / 'CO ' /\n DATA GAS_CHEM_SPC( 15 ) / 'ACD ' /\n DATA GAS_CHEM_SPC( 16 ) / 'MO2 ' /\n DATA GAS_CHEM_SPC( 17 ) / 'ALD ' /\n DATA GAS_CHEM_SPC( 18 ) / 'ETHP ' /\n DATA GAS_CHEM_SPC( 19 ) / 'ACT ' /\n DATA GAS_CHEM_SPC( 20 ) / 'ACO3 ' /\n DATA GAS_CHEM_SPC( 21 ) / 'UALD ' /\n DATA GAS_CHEM_SPC( 22 ) / 'KET ' /\n DATA GAS_CHEM_SPC( 23 ) / 'PINAL ' /\n DATA GAS_CHEM_SPC( 24 ) / 'HC10P ' /\n DATA GAS_CHEM_SPC( 25 ) / 'LIMAL ' /\n DATA GAS_CHEM_SPC( 26 ) / 'MEK ' /\n DATA GAS_CHEM_SPC( 27 ) / 'HKET ' /\n DATA GAS_CHEM_SPC( 28 ) / 'MACR ' /\n DATA GAS_CHEM_SPC( 29 ) / 'MACP ' /\n DATA GAS_CHEM_SPC( 30 ) / 'XO2 ' /\n DATA GAS_CHEM_SPC( 31 ) / 'MVK ' /\n DATA GAS_CHEM_SPC( 32 ) / 'GLY ' /\n DATA GAS_CHEM_SPC( 33 ) / 'MGLY ' /\n DATA GAS_CHEM_SPC( 34 ) / 'DCB1 ' /\n DATA GAS_CHEM_SPC( 35 ) / 'DCB2 ' /\n DATA GAS_CHEM_SPC( 36 ) / 'BALD ' /\n DATA GAS_CHEM_SPC( 37 ) / 'CHO ' /\n DATA GAS_CHEM_SPC( 38 ) / 'OP1 ' /\n DATA GAS_CHEM_SPC( 39 ) / 'OP2 ' /\n DATA GAS_CHEM_SPC( 40 ) / 'OPB ' /\n DATA GAS_CHEM_SPC( 41 ) / 'OP3 ' /\n DATA GAS_CHEM_SPC( 42 ) / 'PAA ' /\n DATA GAS_CHEM_SPC( 43 ) / 'ONIT ' /\n DATA GAS_CHEM_SPC( 44 ) / 'PAN ' /\n DATA GAS_CHEM_SPC( 45 ) / 'TRPN ' /\n DATA GAS_CHEM_SPC( 46 ) / 'HONIT ' /\n DATA GAS_CHEM_SPC( 47 ) / 'N2O5 ' /\n DATA GAS_CHEM_SPC( 48 ) / 'SO2 ' /\n DATA GAS_CHEM_SPC( 49 ) / 'SULF ' /\n DATA GAS_CHEM_SPC( 50 ) / 'SULRXN ' /\n DATA GAS_CHEM_SPC( 51 ) / 'ETH ' /\n DATA GAS_CHEM_SPC( 52 ) / 'HC3 ' /\n DATA GAS_CHEM_SPC( 53 ) / 'HC3P ' /\n DATA GAS_CHEM_SPC( 54 ) / 'HC5 ' /\n DATA GAS_CHEM_SPC( 55 ) / 'HC5P ' /\n DATA GAS_CHEM_SPC( 56 ) / 'ETE ' /\n DATA GAS_CHEM_SPC( 57 ) / 'ETEP ' /\n DATA GAS_CHEM_SPC( 58 ) / 'OLT ' /\n DATA GAS_CHEM_SPC( 59 ) / 'OLTP ' /\n DATA GAS_CHEM_SPC( 60 ) / 'OLI ' /\n DATA GAS_CHEM_SPC( 61 ) / 'OLIP ' /\n DATA GAS_CHEM_SPC( 62 ) / 'ACE ' /\n DATA GAS_CHEM_SPC( 63 ) / 'ORA1 ' /\n DATA GAS_CHEM_SPC( 64 ) / 'BEN ' /\n DATA GAS_CHEM_SPC( 65 ) / 'BENP ' /\n DATA GAS_CHEM_SPC( 66 ) / 'PHEN ' /\n DATA GAS_CHEM_SPC( 67 ) / 'TOL ' /\n DATA GAS_CHEM_SPC( 68 ) / 'TOLP ' /\n DATA GAS_CHEM_SPC( 69 ) / 'CSL ' /\n DATA GAS_CHEM_SPC( 70 ) / 'XYL ' /\n DATA GAS_CHEM_SPC( 71 ) / 'XYLP ' /\n DATA GAS_CHEM_SPC( 72 ) / 'EBZ ' /\n DATA GAS_CHEM_SPC( 73 ) / 'EBZP ' /\n DATA GAS_CHEM_SPC( 74 ) / 'ISO ' /\n DATA GAS_CHEM_SPC( 75 ) / 'ISON ' /\n DATA GAS_CHEM_SPC( 76 ) / 'INO2 ' /\n DATA GAS_CHEM_SPC( 77 ) / 'ISOP ' /\n DATA GAS_CHEM_SPC( 78 ) / 'ISHP ' /\n DATA GAS_CHEM_SPC( 79 ) / 'IEPOX ' /\n DATA GAS_CHEM_SPC( 80 ) / 'IPX ' /\n DATA GAS_CHEM_SPC( 81 ) / 'INALD ' /\n DATA GAS_CHEM_SPC( 82 ) / 'ROH ' /\n DATA GAS_CHEM_SPC( 83 ) / 'API ' /\n DATA GAS_CHEM_SPC( 84 ) / 'APIP1 ' /\n DATA GAS_CHEM_SPC( 85 ) / 'APIP2 ' /\n DATA GAS_CHEM_SPC( 86 ) / 'LIM ' /\n DATA GAS_CHEM_SPC( 87 ) / 'LIMP1 ' /\n DATA GAS_CHEM_SPC( 88 ) / 'LIMP2 ' /\n DATA GAS_CHEM_SPC( 89 ) / 'PINALP ' /\n DATA GAS_CHEM_SPC( 90 ) / 'RCO3 ' /\n DATA GAS_CHEM_SPC( 91 ) / 'LIMALP ' /\n DATA GAS_CHEM_SPC( 92 ) / 'ACTP ' /\n DATA GAS_CHEM_SPC( 93 ) / 'MEKP ' /\n DATA GAS_CHEM_SPC( 94 ) / 'KETP ' /\n DATA GAS_CHEM_SPC( 95 ) / 'MCP ' /\n DATA GAS_CHEM_SPC( 96 ) / 'MVKP ' /\n DATA GAS_CHEM_SPC( 97 ) / 'UALP ' /\n DATA GAS_CHEM_SPC( 98 ) / 'DCB3 ' /\n DATA GAS_CHEM_SPC( 99 ) / 'BALP ' /\n DATA GAS_CHEM_SPC( 100 ) / 'ADDC ' /\n DATA GAS_CHEM_SPC( 101 ) / 'MCT ' /\n DATA GAS_CHEM_SPC( 102 ) / 'MCTO ' /\n DATA GAS_CHEM_SPC( 103 ) / 'MOH ' /\n DATA GAS_CHEM_SPC( 104 ) / 'EOH ' /\n DATA GAS_CHEM_SPC( 105 ) / 'ETEG ' /\n DATA GAS_CHEM_SPC( 106 ) / 'MAHP ' /\n DATA GAS_CHEM_SPC( 107 ) / 'ORA2 ' /\n DATA GAS_CHEM_SPC( 108 ) / 'ORAP ' /\n DATA GAS_CHEM_SPC( 109 ) / 'PPN ' /\n DATA GAS_CHEM_SPC( 110 ) / 'MPAN ' /\n DATA GAS_CHEM_SPC( 111 ) / 'MCTP ' /\n DATA GAS_CHEM_SPC( 112 ) / 'OLNN ' /\n DATA GAS_CHEM_SPC( 113 ) / 'OLND ' /\n DATA GAS_CHEM_SPC( 114 ) / 'APINP1 ' /\n DATA GAS_CHEM_SPC( 115 ) / 'APINP2 ' /\n DATA GAS_CHEM_SPC( 116 ) / 'LIMNP1 ' /\n DATA GAS_CHEM_SPC( 117 ) / 'LIMNP2 ' /\n DATA GAS_CHEM_SPC( 118 ) / 'ADCN ' /\n DATA GAS_CHEM_SPC( 119 ) / 'HOM ' /\n DATA GAS_CHEM_SPC( 120 ) / 'VROCP4OXY2 ' /\n DATA GAS_CHEM_SPC( 121 ) / 'VROCN1OXY6 ' /\n DATA GAS_CHEM_SPC( 122 ) / 'FURANONE ' /\n DATA GAS_CHEM_SPC( 123 ) / 'VROCP3OXY2 ' /\n DATA GAS_CHEM_SPC( 124 ) / 'VROCP0OXY4 ' /\n DATA GAS_CHEM_SPC( 125 ) / 'BAL1 ' /\n DATA GAS_CHEM_SPC( 126 ) / 'BAL2 ' /\n DATA GAS_CHEM_SPC( 127 ) / 'ELHOM ' /\n DATA GAS_CHEM_SPC( 128 ) / 'VROCIOXY ' /\n DATA GAS_CHEM_SPC( 129 ) / 'SLOWROC ' /\n DATA GAS_CHEM_SPC( 130 ) / 'ACRO ' /\n DATA GAS_CHEM_SPC( 131 ) / 'BDE13 ' /\n DATA GAS_CHEM_SPC( 132 ) / 'BDE13P ' /\n DATA GAS_CHEM_SPC( 133 ) / 'FURAN ' /\n DATA GAS_CHEM_SPC( 134 ) / 'FURANO2 ' /\n DATA GAS_CHEM_SPC( 135 ) / 'PROG ' /\n DATA GAS_CHEM_SPC( 136 ) / 'SESQ ' /\n DATA GAS_CHEM_SPC( 137 ) / 'SESQNRO2 ' /\n DATA GAS_CHEM_SPC( 138 ) / 'VROCN2OXY2 ' /\n DATA GAS_CHEM_SPC( 139 ) / 'SESQRO2 ' /\n DATA GAS_CHEM_SPC( 140 ) / 'VROCP0OXY2 ' /\n DATA GAS_CHEM_SPC( 141 ) / 'VROCP1OXY3 ' /\n DATA GAS_CHEM_SPC( 142 ) / 'IEPOXP ' /\n DATA GAS_CHEM_SPC( 143 ) / 'VROCP6ALK ' /\n DATA GAS_CHEM_SPC( 144 ) / 'VROCP6ALKP ' /\n DATA GAS_CHEM_SPC( 145 ) / 'VROCP5ALK ' /\n DATA GAS_CHEM_SPC( 146 ) / 'VROCP5ALKP ' /\n DATA GAS_CHEM_SPC( 147 ) / 'VROCP4ALK ' /\n DATA GAS_CHEM_SPC( 148 ) / 'VROCP4ALKP ' /\n DATA GAS_CHEM_SPC( 149 ) / 'VROCP3ALK ' /\n DATA GAS_CHEM_SPC( 150 ) / 'VROCP3ALKP ' /\n DATA GAS_CHEM_SPC( 151 ) / 'VROCP2ALK ' /\n DATA GAS_CHEM_SPC( 152 ) / 'VROCP2ALKP ' /\n DATA GAS_CHEM_SPC( 153 ) / 'VROCP1ALK ' /\n DATA GAS_CHEM_SPC( 154 ) / 'VROCP1ALKP ' /\n DATA GAS_CHEM_SPC( 155 ) / 'HC10 ' /\n DATA GAS_CHEM_SPC( 156 ) / 'VROCP6ALKP2 ' /\n DATA GAS_CHEM_SPC( 157 ) / 'VROCP5ALKP2 ' /\n DATA GAS_CHEM_SPC( 158 ) / 'VROCP4ALKP2 ' /\n DATA GAS_CHEM_SPC( 159 ) / 'VROCP2OXY2 ' /\n DATA GAS_CHEM_SPC( 160 ) / 'VROCP3ALKP2 ' /\n DATA GAS_CHEM_SPC( 161 ) / 'VROCP1OXY1 ' /\n DATA GAS_CHEM_SPC( 162 ) / 'VROCP2ALKP2 ' /\n DATA GAS_CHEM_SPC( 163 ) / 'VROCP1ALKP2 ' /\n DATA GAS_CHEM_SPC( 164 ) / 'VROCN1OXY1 ' /\n DATA GAS_CHEM_SPC( 165 ) / 'HC10P2 ' /\n DATA GAS_CHEM_SPC( 166 ) / 'VROCP6ARO ' /\n DATA GAS_CHEM_SPC( 167 ) / 'VROCP6AROP ' /\n DATA GAS_CHEM_SPC( 168 ) / 'VROCN2OXY4 ' /\n DATA GAS_CHEM_SPC( 169 ) / 'VROCN1OXY3 ' /\n DATA GAS_CHEM_SPC( 170 ) / 'VROCP5ARO ' /\n DATA GAS_CHEM_SPC( 171 ) / 'VROCP5AROP ' /\n DATA GAS_CHEM_SPC( 172 ) / 'NAPH ' /\n DATA GAS_CHEM_SPC( 173 ) / 'NAPHP ' /\n DATA GAS_CHEM_SPC( 174 ) / 'VROCN2OXY8 ' /\n DATA GAS_CHEM_SPC( 175 ) / 'VROCP5OXY1 ' /\n DATA GAS_CHEM_SPC( 176 ) / 'VROCP6OXY1 ' /\n DATA GAS_CHEM_SPC( 177 ) / 'ECH4 ' /\n DATA GAS_CHEM_SPC( 178 ) / 'STY ' /\n DATA GAS_CHEM_SPC( 179 ) / 'STYP ' /\n\n\n\n\n LOGICAL :: HALOGEN_PARAMETER = .TRUE. \n\n\n! The below character and integer arrays list the model species names used in the \n! chemical mechanism. The gas species and their order should agree with \n! the GC_SPC array for the gas phase chemistry to work correctly. \n! If present, the CHEMISTRY_SPC names and species type should agree with the CGRID_SPCS module\n\n\n! MAPPED_TO_CGRID declares whether CMAQ namelists were used to determine \n! the below values of CGRID_INDEX, SPECIES_TYPE, SPECIES_MOLWT, and CONVERT_CONC\n LOGICAL, PARAMETER, PRIVATE :: F = .FALSE.\n LOGICAL, PARAMETER, PRIVATE :: T = .TRUE.\n\n\n LOGICAL :: MAPPED_TO_CGRID = .FALSE. \n\n TYPE MEMBER\n CHARACTER( 16 ) :: CHEMISTRY_SPC\n INTEGER :: CGRID_INDEX\n CHARACTER( 2 ) :: SPECIES_TYPE\n REAL( 8 ) :: SPECIES_MOLWT\n LOGICAL :: CONVERT_CONC\n END TYPE MEMBER\n TYPE( MEMBER ) :: SPECIES_LIST( NUMB_MECH_SPC ) = (/ &\n & MEMBER(\"O3 \", 1, \"GC\", 48.00D0, F), &\n & MEMBER(\"O3P \", 2, \"GC\", 16.00D0, F), &\n & MEMBER(\"O1D \", 3, \"GC\", 16.00D0, F), &\n & MEMBER(\"H2O2 \", 4, \"GC\", 34.00D0, F), &\n & MEMBER(\"HO \", 5, \"GC\", 17.00D0, F), &\n & MEMBER(\"NO2 \", 6, \"GC\", 46.00D0, F), &\n & MEMBER(\"NO \", 7, \"GC\", 30.00D0, F), &\n & MEMBER(\"NO3 \", 8, \"GC\", 62.00D0, F), &\n & MEMBER(\"HONO \", 9, \"GC\", 47.00D0, F), &\n & MEMBER(\"HNO3 \", 10, \"GC\", 63.00D0, F), &\n & MEMBER(\"HNO4 \", 11, \"GC\", 79.00D0, F), &\n & MEMBER(\"HO2 \", 12, \"GC\", 33.00D0, F), &\n & MEMBER(\"HCHO \", 13, \"GC\", 30.00D0, F), &\n & MEMBER(\"CO \", 14, \"GC\", 28.00D0, F), &\n & MEMBER(\"ACD \", 15, \"GC\", 44.00D0, F), &\n & MEMBER(\"MO2 \", 16, \"GC\", 47.00D0, F), &\n & MEMBER(\"ALD \", 17, \"GC\", 58.00D0, F), &\n & MEMBER(\"ETHP \", 18, \"GC\", 61.00D0, F), &\n & MEMBER(\"ACT \", 19, \"GC\", 58.00D0, F), &\n & MEMBER(\"ACO3 \", 20, \"GC\", 75.00D0, F), &\n & MEMBER(\"UALD \", 21, \"GC\", 84.10D0, F), &\n & MEMBER(\"KET \", 22, \"GC\", 86.00D0, F), &\n & MEMBER(\"PINAL \", 81, \"GC\", 168.00D0, F), &\n & MEMBER(\"HC10P \", 52, \"GC\", 173.27D0, F), &\n & MEMBER(\"LIMAL \", 88, \"GC\", 168.00D0, F), &\n & MEMBER(\"MEK \", 23, \"GC\", 72.10D0, F), &\n & MEMBER(\"HKET \", 24, \"GC\", 74.00D0, F), &\n & MEMBER(\"MACR \", 25, \"GC\", 70.00D0, F), &\n & MEMBER(\"MACP \", 26, \"GC\", 101.00D0, F), &\n & MEMBER(\"XO2 \", 27, \"GC\", 1.00D0, F), &\n & MEMBER(\"MVK \", 28, \"GC\", 70.10D0, F), &\n & MEMBER(\"GLY \", 29, \"GC\", 58.00D0, F), &\n & MEMBER(\"MGLY \", 30, \"GC\", 72.00D0, F), &\n & MEMBER(\"DCB1 \", 31, \"GC\", 98.00D0, F), &\n & MEMBER(\"DCB2 \", 32, \"GC\", 112.10D0, F), &\n & MEMBER(\"BALD \", 33, \"GC\", 106.00D0, F), &\n & MEMBER(\"CHO \", 34, \"GC\", 139.00D0, F), &\n & MEMBER(\"OP1 \", 35, \"GC\", 48.00D0, F), &\n & MEMBER(\"OP2 \", 36, \"GC\", 62.00D0, F), &\n & MEMBER(\"OPB \", 37, \"GC\", 186.20D0, F), &\n & MEMBER(\"OP3 \", 38, \"GC\", 176.20D0, F), &\n & MEMBER(\"PAA \", 39, \"GC\", 76.00D0, F), &\n & MEMBER(\"ONIT \", 40, \"GC\", 119.00D0, F), &\n & MEMBER(\"PAN \", 41, \"GC\", 121.00D0, F), &\n & MEMBER(\"TRPN \", 120, \"GC\", 215.00D0, F), &\n & MEMBER(\"HONIT \", 121, \"GC\", 265.00D0, F), &\n & MEMBER(\"N2O5 \", 42, \"GC\", 108.00D0, F), &\n & MEMBER(\"SO2 \", 43, \"GC\", 64.00D0, F), &\n & MEMBER(\"SULF \", 44, \"GC\", 98.00D0, F), &\n & MEMBER(\"SULRXN \", 45, \"GC\", 98.00D0, F), &\n & MEMBER(\"ETH \", 46, \"GC\", 30.10D0, F), &\n & MEMBER(\"HC3 \", 47, \"GC\", 44.10D0, F), &\n & MEMBER(\"HC3P \", 48, \"GC\", 75.00D0, F), &\n & MEMBER(\"ASOATJ \", 193, \"AE\", 200.00D0, T), &\n & MEMBER(\"HC5 \", 49, \"GC\", 72.10D0, F), &\n & MEMBER(\"HC5P \", 50, \"GC\", 103.00D0, F), &\n & MEMBER(\"ETE \", 54, \"GC\", 28.10D0, F), &\n & MEMBER(\"ETEP \", 55, \"GC\", 77.00D0, F), &\n & MEMBER(\"OLT \", 56, \"GC\", 42.00D0, F), &\n & MEMBER(\"OLTP \", 57, \"GC\", 91.00D0, F), &\n & MEMBER(\"OLI \", 58, \"GC\", 70.10D0, F), &\n & MEMBER(\"OLIP \", 59, \"GC\", 119.00D0, F), &\n & MEMBER(\"ACE \", 60, \"GC\", 26.00D0, F), &\n & MEMBER(\"ORA1 \", 61, \"GC\", 46.00D0, F), &\n & MEMBER(\"BEN \", 62, \"GC\", 78.11D0, F), &\n & MEMBER(\"BENP \", 63, \"GC\", 159.12D0, F), &\n & MEMBER(\"PHEN \", 64, \"GC\", 110.10D0, F), &\n & MEMBER(\"TOL \", 65, \"GC\", 92.14D0, F), &\n & MEMBER(\"TOLP \", 70, \"GC\", 173.14D0, F), &\n & MEMBER(\"CSL \", 66, \"GC\", 136.20D0, F), &\n & MEMBER(\"XYL \", 67, \"GC\", 106.20D0, F), &\n & MEMBER(\"XYLP \", 71, \"GC\", 187.17D0, F), &\n & MEMBER(\"EBZ \", 68, \"GC\", 106.20D0, F), &\n & MEMBER(\"EBZP \", 72, \"GC\", 187.17D0, F), &\n & MEMBER(\"ISO \", 74, \"GC\", 68.10D0, F), &\n & MEMBER(\"ISON \", 118, \"GC\", 147.00D0, F), &\n & MEMBER(\"INO2 \", 117, \"GC\", 162.10D0, F), &\n & MEMBER(\"ISOP \", 75, \"GC\", 117.00D0, F), &\n & MEMBER(\"ISHP \", 108, \"GC\", 118.00D0, F), &\n & MEMBER(\"IEPOX \", 109, \"GC\", 118.10D0, F), &\n & MEMBER(\"IPX \", 119, \"GC\", 150.10D0, F), &\n & MEMBER(\"INALD \", 116, \"GC\", 195.10D0, F), &\n & MEMBER(\"ROH \", 106, \"GC\", 60.00D0, F), &\n & MEMBER(\"API \", 76, \"GC\", 136.40D0, F), &\n & MEMBER(\"APIP1 \", 77, \"GC\", 185.00D0, F), &\n & MEMBER(\"APIP2 \", 78, \"GC\", 185.00D0, F), &\n & MEMBER(\"LIM \", 83, \"GC\", 136.30D0, F), &\n & MEMBER(\"LIMP1 \", 84, \"GC\", 185.00D0, F), &\n & MEMBER(\"LIMP2 \", 85, \"GC\", 185.00D0, F), &\n & MEMBER(\"PINALP \", 82, \"GC\", 199.00D0, F), &\n & MEMBER(\"RCO3 \", 92, \"GC\", 89.00D0, F), &\n & MEMBER(\"LIMALP \", 89, \"GC\", 217.00D0, F), &\n & MEMBER(\"ACTP \", 93, \"GC\", 89.00D0, F), &\n & MEMBER(\"MEKP \", 94, \"GC\", 103.00D0, F), &\n & MEMBER(\"KETP \", 95, \"GC\", 117.00D0, F), &\n & MEMBER(\"MCP \", 96, \"GC\", 119.00D0, F), &\n & MEMBER(\"MVKP \", 97, \"GC\", 119.00D0, F), &\n & MEMBER(\"UALP \", 98, \"GC\", 133.00D0, F), &\n & MEMBER(\"DCB3 \", 99, \"GC\", 84.00D0, F), &\n & MEMBER(\"BALP \", 100, \"GC\", 137.00D0, F), &\n & MEMBER(\"ADDC \", 101, \"GC\", 125.00D0, F), &\n & MEMBER(\"MCT \", 102, \"GC\", 124.10D0, F), &\n & MEMBER(\"MCTO \", 103, \"GC\", 123.00D0, F), &\n & MEMBER(\"MOH \", 104, \"GC\", 32.00D0, F), &\n & MEMBER(\"EOH \", 105, \"GC\", 46.10D0, F), &\n & MEMBER(\"ETEG \", 107, \"GC\", 62.10D0, F), &\n & MEMBER(\"MAHP \", 111, \"GC\", 102.00D0, F), &\n & MEMBER(\"ORA2 \", 112, \"GC\", 60.20D0, F), &\n & MEMBER(\"ORAP \", 113, \"GC\", 91.00D0, F), &\n & MEMBER(\"PPN \", 114, \"GC\", 135.00D0, F), &\n & MEMBER(\"MPAN \", 115, \"GC\", 147.10D0, F), &\n & MEMBER(\"MCTP \", 122, \"GC\", 172.00D0, F), &\n & MEMBER(\"OLNN \", 123, \"GC\", 136.00D0, F), &\n & MEMBER(\"OLND \", 124, \"GC\", 136.00D0, F), &\n & MEMBER(\"APINP1 \", 79, \"GC\", 230.00D0, F), &\n & MEMBER(\"APINP2 \", 80, \"GC\", 230.00D0, F), &\n & MEMBER(\"LIMNP1 \", 86, \"GC\", 230.00D0, F), &\n & MEMBER(\"LIMNP2 \", 87, \"GC\", 230.00D0, F), &\n & MEMBER(\"ADCN \", 125, \"GC\", 155.00D0, F), &\n & MEMBER(\"HOM \", 90, \"GC\", 250.00D0, F), &\n & MEMBER(\"VROCP4OXY2 \", 179, \"GC\", 158.20D0, F), &\n & MEMBER(\"VROCN1OXY6 \", 172, \"GC\", 190.20D0, F), &\n & MEMBER(\"FURANONE \", 134, \"GC\", 100.10D0, F), &\n & MEMBER(\"VROCP3OXY2 \", 178, \"GC\", 186.30D0, F), &\n & MEMBER(\"VROCP0OXY4 \", 174, \"GC\", 202.30D0, F), &\n & MEMBER(\"BAL1 \", 126, \"GC\", 123.00D0, F), &\n & MEMBER(\"BAL2 \", 127, \"GC\", 109.00D0, F), &\n & MEMBER(\"ELHOM \", 91, \"GC\", 402.00D0, F), &\n & MEMBER(\"VROCIOXY \", 135, \"GC\", 247.00D0, F), &\n & MEMBER(\"SLOWROC \", 136, \"GC\", 75.40D0, F), &\n & MEMBER(\"ACRO \", 128, \"GC\", 56.10D0, F), &\n & MEMBER(\"BDE13 \", 129, \"GC\", 54.10D0, F), &\n & MEMBER(\"BDE13P \", 130, \"GC\", 103.00D0, F), &\n & MEMBER(\"FURAN \", 132, \"GC\", 96.10D0, F), &\n & MEMBER(\"FURANO2 \", 133, \"GC\", 145.10D0, F), &\n & MEMBER(\"PROG \", 131, \"GC\", 76.10D0, F), &\n & MEMBER(\"SESQ \", 137, \"GC\", 204.40D0, F), &\n & MEMBER(\"SESQNRO2 \", 139, \"GC\", 298.40D0, F), &\n & MEMBER(\"VROCN2OXY2 \", 167, \"GC\", 282.40D0, F), &\n & MEMBER(\"SESQRO2 \", 138, \"GC\", 253.40D0, F), &\n & MEMBER(\"VROCP0OXY2 \", 173, \"GC\", 242.40D0, F), &\n & MEMBER(\"VROCP1OXY3 \", 176, \"GC\", 202.30D0, F), &\n & MEMBER(\"AGLYJ \", 194, \"AE\", 66.40D0, T), &\n & MEMBER(\"IEPOXP \", 110, \"GC\", 118.10D0, F), &\n & MEMBER(\"AISO3NOSJ \", 268, \"AE\", 136.20D0, T), &\n & MEMBER(\"ASO4J \", 185, \"AE\", 96.00D0, T), &\n & MEMBER(\"AISO3OSJ \", 269, \"AE\", 216.20D0, T), &\n & MEMBER(\"AISO4J \", 270, \"AE\", 168.10D0, T), &\n & MEMBER(\"AISO5J \", 271, \"AE\", 150.10D0, T), &\n & MEMBER(\"VROCP6ALK \", 154, \"GC\", 184.37D0, F), &\n & MEMBER(\"VROCP6ALKP \", 160, \"GC\", 215.36D0, F), &\n & MEMBER(\"VROCP5ALK \", 153, \"GC\", 198.39D0, F), &\n & MEMBER(\"VROCP5ALKP \", 159, \"GC\", 229.38D0, F), &\n & MEMBER(\"VROCP4ALK \", 152, \"GC\", 254.50D0, F), &\n & MEMBER(\"VROCP4ALKP \", 158, \"GC\", 285.49D0, F), &\n & MEMBER(\"VROCP3ALK \", 151, \"GC\", 296.58D0, F), &\n & MEMBER(\"VROCP3ALKP \", 157, \"GC\", 327.57D0, F), &\n & MEMBER(\"VROCP2ALK \", 150, \"GC\", 338.66D0, F), &\n & MEMBER(\"VROCP2ALKP \", 156, \"GC\", 369.65D0, F), &\n & MEMBER(\"VROCP1ALK \", 149, \"GC\", 380.75D0, F), &\n & MEMBER(\"VROCP1ALKP \", 155, \"GC\", 411.74D0, F), &\n & MEMBER(\"HC10 \", 51, \"GC\", 142.28D0, F), &\n & MEMBER(\"VROCP6ALKP2 \", 166, \"GC\", 231.36D0, F), &\n & MEMBER(\"VROCP5ALKP2 \", 165, \"GC\", 245.38D0, F), &\n & MEMBER(\"VROCP4ALKP2 \", 164, \"GC\", 301.49D0, F), &\n & MEMBER(\"VROCP2OXY2 \", 177, \"GC\", 200.30D0, F), &\n & MEMBER(\"VROCP3ALKP2 \", 163, \"GC\", 343.57D0, F), &\n & MEMBER(\"VROCP1OXY1 \", 175, \"GC\", 270.50D0, F), &\n & MEMBER(\"VROCP2ALKP2 \", 162, \"GC\", 385.65D0, F), &\n & MEMBER(\"VROCP1ALKP2 \", 161, \"GC\", 427.73D0, F), &\n & MEMBER(\"VROCN1OXY1 \", 170, \"GC\", 312.50D0, F), &\n & MEMBER(\"HC10P2 \", 53, \"GC\", 189.27D0, F), &\n & MEMBER(\"VROCP6ARO \", 143, \"GC\", 176.30D0, F), &\n & MEMBER(\"VROCP6AROP \", 145, \"GC\", 257.30D0, F), &\n & MEMBER(\"VROCN2OXY4 \", 168, \"GC\", 232.30D0, F), &\n & MEMBER(\"VROCN1OXY3 \", 171, \"GC\", 230.30D0, F), &\n & MEMBER(\"VROCP5ARO \", 142, \"GC\", 190.33D0, F), &\n & MEMBER(\"VROCP5AROP \", 144, \"GC\", 271.33D0, F), &\n & MEMBER(\"NAPH \", 140, \"GC\", 128.17D0, F), &\n & MEMBER(\"NAPHP \", 141, \"GC\", 209.17D0, F), &\n & MEMBER(\"VROCN2OXY8 \", 169, \"GC\", 194.20D0, F), &\n & MEMBER(\"VROCP5OXY1 \", 180, \"GC\", 170.30D0, F), &\n & MEMBER(\"VROCP6OXY1 \", 181, \"GC\", 142.20D0, F), &\n & MEMBER(\"ECH4 \", 182, \"GC\", 16.00D0, F), &\n & MEMBER(\"ATRPNJ \", 272, \"AE\", 215.00D0, T), &\n & MEMBER(\"AHOMJ \", 195, \"AE\", 250.00D0, T), &\n & MEMBER(\"AHONITJ \", 273, \"AE\", 265.00D0, T), &\n & MEMBER(\"STY \", 69, \"GC\", 104.00D0, F), &\n & MEMBER(\"STYP \", 73, \"GC\", 153.00D0, F) /)\n\n DATA CHEMISTRY_SPC( 1 ), SPECIES_MOLWT( 1 ) / 'O3 ', 48.00D0 /\n DATA CHEMISTRY_SPC( 2 ), SPECIES_MOLWT( 2 ) / 'O3P ', 16.00D0 /\n DATA CHEMISTRY_SPC( 3 ), SPECIES_MOLWT( 3 ) / 'O1D ', 16.00D0 /\n DATA CHEMISTRY_SPC( 4 ), SPECIES_MOLWT( 4 ) / 'H2O2 ', 34.00D0 /\n DATA CHEMISTRY_SPC( 5 ), SPECIES_MOLWT( 5 ) / 'HO ', 17.00D0 /\n DATA CHEMISTRY_SPC( 6 ), SPECIES_MOLWT( 6 ) / 'NO2 ', 46.00D0 /\n DATA CHEMISTRY_SPC( 7 ), SPECIES_MOLWT( 7 ) / 'NO ', 30.00D0 /\n DATA CHEMISTRY_SPC( 8 ), SPECIES_MOLWT( 8 ) / 'NO3 ', 62.00D0 /\n DATA CHEMISTRY_SPC( 9 ), SPECIES_MOLWT( 9 ) / 'HONO ', 47.00D0 /\n DATA CHEMISTRY_SPC( 10 ), SPECIES_MOLWT( 10 ) / 'HNO3 ', 63.00D0 /\n DATA CHEMISTRY_SPC( 11 ), SPECIES_MOLWT( 11 ) / 'HNO4 ', 79.00D0 /\n DATA CHEMISTRY_SPC( 12 ), SPECIES_MOLWT( 12 ) / 'HO2 ', 33.00D0 /\n DATA CHEMISTRY_SPC( 13 ), SPECIES_MOLWT( 13 ) / 'HCHO ', 30.00D0 /\n DATA CHEMISTRY_SPC( 14 ), SPECIES_MOLWT( 14 ) / 'CO ', 28.00D0 /\n DATA CHEMISTRY_SPC( 15 ), SPECIES_MOLWT( 15 ) / 'ACD ', 44.00D0 /\n DATA CHEMISTRY_SPC( 16 ), SPECIES_MOLWT( 16 ) / 'MO2 ', 47.00D0 /\n DATA CHEMISTRY_SPC( 17 ), SPECIES_MOLWT( 17 ) / 'ALD ', 58.00D0 /\n DATA CHEMISTRY_SPC( 18 ), SPECIES_MOLWT( 18 ) / 'ETHP ', 61.00D0 /\n DATA CHEMISTRY_SPC( 19 ), SPECIES_MOLWT( 19 ) / 'ACT ', 58.00D0 /\n DATA CHEMISTRY_SPC( 20 ), SPECIES_MOLWT( 20 ) / 'ACO3 ', 75.00D0 /\n DATA CHEMISTRY_SPC( 21 ), SPECIES_MOLWT( 21 ) / 'UALD ', 84.10D0 /\n DATA CHEMISTRY_SPC( 22 ), SPECIES_MOLWT( 22 ) / 'KET ', 86.00D0 /\n DATA CHEMISTRY_SPC( 23 ), SPECIES_MOLWT( 23 ) / 'PINAL ', 168.00D0 /\n DATA CHEMISTRY_SPC( 24 ), SPECIES_MOLWT( 24 ) / 'HC10P ', 173.27D0 /\n DATA CHEMISTRY_SPC( 25 ), SPECIES_MOLWT( 25 ) / 'LIMAL ', 168.00D0 /\n DATA CHEMISTRY_SPC( 26 ), SPECIES_MOLWT( 26 ) / 'MEK ', 72.10D0 /\n DATA CHEMISTRY_SPC( 27 ), SPECIES_MOLWT( 27 ) / 'HKET ', 74.00D0 /\n DATA CHEMISTRY_SPC( 28 ), SPECIES_MOLWT( 28 ) / 'MACR ', 70.00D0 /\n DATA CHEMISTRY_SPC( 29 ), SPECIES_MOLWT( 29 ) / 'MACP ', 101.00D0 /\n DATA CHEMISTRY_SPC( 30 ), SPECIES_MOLWT( 30 ) / 'XO2 ', 1.00D0 /\n DATA CHEMISTRY_SPC( 31 ), SPECIES_MOLWT( 31 ) / 'MVK ', 70.10D0 /\n DATA CHEMISTRY_SPC( 32 ), SPECIES_MOLWT( 32 ) / 'GLY ', 58.00D0 /\n DATA CHEMISTRY_SPC( 33 ), SPECIES_MOLWT( 33 ) / 'MGLY ', 72.00D0 /\n DATA CHEMISTRY_SPC( 34 ), SPECIES_MOLWT( 34 ) / 'DCB1 ', 98.00D0 /\n DATA CHEMISTRY_SPC( 35 ), SPECIES_MOLWT( 35 ) / 'DCB2 ', 112.10D0 /\n DATA CHEMISTRY_SPC( 36 ), SPECIES_MOLWT( 36 ) / 'BALD ', 106.00D0 /\n DATA CHEMISTRY_SPC( 37 ), SPECIES_MOLWT( 37 ) / 'CHO ', 139.00D0 /\n DATA CHEMISTRY_SPC( 38 ), SPECIES_MOLWT( 38 ) / 'OP1 ', 48.00D0 /\n DATA CHEMISTRY_SPC( 39 ), SPECIES_MOLWT( 39 ) / 'OP2 ', 62.00D0 /\n DATA CHEMISTRY_SPC( 40 ), SPECIES_MOLWT( 40 ) / 'OPB ', 186.20D0 /\n DATA CHEMISTRY_SPC( 41 ), SPECIES_MOLWT( 41 ) / 'OP3 ', 176.20D0 /\n DATA CHEMISTRY_SPC( 42 ), SPECIES_MOLWT( 42 ) / 'PAA ', 76.00D0 /\n DATA CHEMISTRY_SPC( 43 ), SPECIES_MOLWT( 43 ) / 'ONIT ', 119.00D0 /\n DATA CHEMISTRY_SPC( 44 ), SPECIES_MOLWT( 44 ) / 'PAN ', 121.00D0 /\n DATA CHEMISTRY_SPC( 45 ), SPECIES_MOLWT( 45 ) / 'TRPN ', 215.00D0 /\n DATA CHEMISTRY_SPC( 46 ), SPECIES_MOLWT( 46 ) / 'HONIT ', 265.00D0 /\n DATA CHEMISTRY_SPC( 47 ), SPECIES_MOLWT( 47 ) / 'N2O5 ', 108.00D0 /\n DATA CHEMISTRY_SPC( 48 ), SPECIES_MOLWT( 48 ) / 'SO2 ', 64.00D0 /\n DATA CHEMISTRY_SPC( 49 ), SPECIES_MOLWT( 49 ) / 'SULF ', 98.00D0 /\n DATA CHEMISTRY_SPC( 50 ), SPECIES_MOLWT( 50 ) / 'SULRXN ', 98.00D0 /\n DATA CHEMISTRY_SPC( 51 ), SPECIES_MOLWT( 51 ) / 'ETH ', 30.10D0 /\n DATA CHEMISTRY_SPC( 52 ), SPECIES_MOLWT( 52 ) / 'HC3 ', 44.10D0 /\n DATA CHEMISTRY_SPC( 53 ), SPECIES_MOLWT( 53 ) / 'HC3P ', 75.00D0 /\n DATA CHEMISTRY_SPC( 54 ), SPECIES_MOLWT( 54 ) / 'ASOATJ ', 200.00D0 /\n DATA CHEMISTRY_SPC( 55 ), SPECIES_MOLWT( 55 ) / 'HC5 ', 72.10D0 /\n DATA CHEMISTRY_SPC( 56 ), SPECIES_MOLWT( 56 ) / 'HC5P ', 103.00D0 /\n DATA CHEMISTRY_SPC( 57 ), SPECIES_MOLWT( 57 ) / 'ETE ', 28.10D0 /\n DATA CHEMISTRY_SPC( 58 ), SPECIES_MOLWT( 58 ) / 'ETEP ', 77.00D0 /\n DATA CHEMISTRY_SPC( 59 ), SPECIES_MOLWT( 59 ) / 'OLT ', 42.00D0 /\n DATA CHEMISTRY_SPC( 60 ), SPECIES_MOLWT( 60 ) / 'OLTP ', 91.00D0 /\n DATA CHEMISTRY_SPC( 61 ), SPECIES_MOLWT( 61 ) / 'OLI ', 70.10D0 /\n DATA CHEMISTRY_SPC( 62 ), SPECIES_MOLWT( 62 ) / 'OLIP ', 119.00D0 /\n DATA CHEMISTRY_SPC( 63 ), SPECIES_MOLWT( 63 ) / 'ACE ', 26.00D0 /\n DATA CHEMISTRY_SPC( 64 ), SPECIES_MOLWT( 64 ) / 'ORA1 ', 46.00D0 /\n DATA CHEMISTRY_SPC( 65 ), SPECIES_MOLWT( 65 ) / 'BEN ', 78.11D0 /\n DATA CHEMISTRY_SPC( 66 ), SPECIES_MOLWT( 66 ) / 'BENP ', 159.12D0 /\n DATA CHEMISTRY_SPC( 67 ), SPECIES_MOLWT( 67 ) / 'PHEN ', 110.10D0 /\n DATA CHEMISTRY_SPC( 68 ), SPECIES_MOLWT( 68 ) / 'TOL ', 92.14D0 /\n DATA CHEMISTRY_SPC( 69 ), SPECIES_MOLWT( 69 ) / 'TOLP ', 173.14D0 /\n DATA CHEMISTRY_SPC( 70 ), SPECIES_MOLWT( 70 ) / 'CSL ', 136.20D0 /\n DATA CHEMISTRY_SPC( 71 ), SPECIES_MOLWT( 71 ) / 'XYL ', 106.20D0 /\n DATA CHEMISTRY_SPC( 72 ), SPECIES_MOLWT( 72 ) / 'XYLP ', 187.17D0 /\n DATA CHEMISTRY_SPC( 73 ), SPECIES_MOLWT( 73 ) / 'EBZ ', 106.20D0 /\n DATA CHEMISTRY_SPC( 74 ), SPECIES_MOLWT( 74 ) / 'EBZP ', 187.17D0 /\n DATA CHEMISTRY_SPC( 75 ), SPECIES_MOLWT( 75 ) / 'ISO ', 68.10D0 /\n DATA CHEMISTRY_SPC( 76 ), SPECIES_MOLWT( 76 ) / 'ISON ', 147.00D0 /\n DATA CHEMISTRY_SPC( 77 ), SPECIES_MOLWT( 77 ) / 'INO2 ', 162.10D0 /\n DATA CHEMISTRY_SPC( 78 ), SPECIES_MOLWT( 78 ) / 'ISOP ', 117.00D0 /\n DATA CHEMISTRY_SPC( 79 ), SPECIES_MOLWT( 79 ) / 'ISHP ', 118.00D0 /\n DATA CHEMISTRY_SPC( 80 ), SPECIES_MOLWT( 80 ) / 'IEPOX ', 118.10D0 /\n DATA CHEMISTRY_SPC( 81 ), SPECIES_MOLWT( 81 ) / 'IPX ', 150.10D0 /\n DATA CHEMISTRY_SPC( 82 ), SPECIES_MOLWT( 82 ) / 'INALD ', 195.10D0 /\n DATA CHEMISTRY_SPC( 83 ), SPECIES_MOLWT( 83 ) / 'ROH ', 60.00D0 /\n DATA CHEMISTRY_SPC( 84 ), SPECIES_MOLWT( 84 ) / 'API ', 136.40D0 /\n DATA CHEMISTRY_SPC( 85 ), SPECIES_MOLWT( 85 ) / 'APIP1 ', 185.00D0 /\n DATA CHEMISTRY_SPC( 86 ), SPECIES_MOLWT( 86 ) / 'APIP2 ', 185.00D0 /\n DATA CHEMISTRY_SPC( 87 ), SPECIES_MOLWT( 87 ) / 'LIM ', 136.30D0 /\n DATA CHEMISTRY_SPC( 88 ), SPECIES_MOLWT( 88 ) / 'LIMP1 ', 185.00D0 /\n DATA CHEMISTRY_SPC( 89 ), SPECIES_MOLWT( 89 ) / 'LIMP2 ', 185.00D0 /\n DATA CHEMISTRY_SPC( 90 ), SPECIES_MOLWT( 90 ) / 'PINALP ', 199.00D0 /\n DATA CHEMISTRY_SPC( 91 ), SPECIES_MOLWT( 91 ) / 'RCO3 ', 89.00D0 /\n DATA CHEMISTRY_SPC( 92 ), SPECIES_MOLWT( 92 ) / 'LIMALP ', 217.00D0 /\n DATA CHEMISTRY_SPC( 93 ), SPECIES_MOLWT( 93 ) / 'ACTP ', 89.00D0 /\n DATA CHEMISTRY_SPC( 94 ), SPECIES_MOLWT( 94 ) / 'MEKP ', 103.00D0 /\n DATA CHEMISTRY_SPC( 95 ), SPECIES_MOLWT( 95 ) / 'KETP ', 117.00D0 /\n DATA CHEMISTRY_SPC( 96 ), SPECIES_MOLWT( 96 ) / 'MCP ', 119.00D0 /\n DATA CHEMISTRY_SPC( 97 ), SPECIES_MOLWT( 97 ) / 'MVKP ', 119.00D0 /\n DATA CHEMISTRY_SPC( 98 ), SPECIES_MOLWT( 98 ) / 'UALP ', 133.00D0 /\n DATA CHEMISTRY_SPC( 99 ), SPECIES_MOLWT( 99 ) / 'DCB3 ', 84.00D0 /\n DATA CHEMISTRY_SPC( 100 ), SPECIES_MOLWT( 100 ) / 'BALP ', 137.00D0 /\n DATA CHEMISTRY_SPC( 101 ), SPECIES_MOLWT( 101 ) / 'ADDC ', 125.00D0 /\n DATA CHEMISTRY_SPC( 102 ), SPECIES_MOLWT( 102 ) / 'MCT ', 124.10D0 /\n DATA CHEMISTRY_SPC( 103 ), SPECIES_MOLWT( 103 ) / 'MCTO ', 123.00D0 /\n DATA CHEMISTRY_SPC( 104 ), SPECIES_MOLWT( 104 ) / 'MOH ', 32.00D0 /\n DATA CHEMISTRY_SPC( 105 ), SPECIES_MOLWT( 105 ) / 'EOH ', 46.10D0 /\n DATA CHEMISTRY_SPC( 106 ), SPECIES_MOLWT( 106 ) / 'ETEG ', 62.10D0 /\n DATA CHEMISTRY_SPC( 107 ), SPECIES_MOLWT( 107 ) / 'MAHP ', 102.00D0 /\n DATA CHEMISTRY_SPC( 108 ), SPECIES_MOLWT( 108 ) / 'ORA2 ', 60.20D0 /\n DATA CHEMISTRY_SPC( 109 ), SPECIES_MOLWT( 109 ) / 'ORAP ', 91.00D0 /\n DATA CHEMISTRY_SPC( 110 ), SPECIES_MOLWT( 110 ) / 'PPN ', 135.00D0 /\n DATA CHEMISTRY_SPC( 111 ), SPECIES_MOLWT( 111 ) / 'MPAN ', 147.10D0 /\n DATA CHEMISTRY_SPC( 112 ), SPECIES_MOLWT( 112 ) / 'MCTP ', 172.00D0 /\n DATA CHEMISTRY_SPC( 113 ), SPECIES_MOLWT( 113 ) / 'OLNN ', 136.00D0 /\n DATA CHEMISTRY_SPC( 114 ), SPECIES_MOLWT( 114 ) / 'OLND ', 136.00D0 /\n DATA CHEMISTRY_SPC( 115 ), SPECIES_MOLWT( 115 ) / 'APINP1 ', 230.00D0 /\n DATA CHEMISTRY_SPC( 116 ), SPECIES_MOLWT( 116 ) / 'APINP2 ', 230.00D0 /\n DATA CHEMISTRY_SPC( 117 ), SPECIES_MOLWT( 117 ) / 'LIMNP1 ', 230.00D0 /\n DATA CHEMISTRY_SPC( 118 ), SPECIES_MOLWT( 118 ) / 'LIMNP2 ', 230.00D0 /\n DATA CHEMISTRY_SPC( 119 ), SPECIES_MOLWT( 119 ) / 'ADCN ', 155.00D0 /\n DATA CHEMISTRY_SPC( 120 ), SPECIES_MOLWT( 120 ) / 'HOM ', 250.00D0 /\n DATA CHEMISTRY_SPC( 121 ), SPECIES_MOLWT( 121 ) / 'VROCP4OXY2 ', 158.20D0 /\n DATA CHEMISTRY_SPC( 122 ), SPECIES_MOLWT( 122 ) / 'VROCN1OXY6 ', 190.20D0 /\n DATA CHEMISTRY_SPC( 123 ), SPECIES_MOLWT( 123 ) / 'FURANONE ', 100.10D0 /\n DATA CHEMISTRY_SPC( 124 ), SPECIES_MOLWT( 124 ) / 'VROCP3OXY2 ', 186.30D0 /\n DATA CHEMISTRY_SPC( 125 ), SPECIES_MOLWT( 125 ) / 'VROCP0OXY4 ', 202.30D0 /\n DATA CHEMISTRY_SPC( 126 ), SPECIES_MOLWT( 126 ) / 'BAL1 ', 123.00D0 /\n DATA CHEMISTRY_SPC( 127 ), SPECIES_MOLWT( 127 ) / 'BAL2 ', 109.00D0 /\n DATA CHEMISTRY_SPC( 128 ), SPECIES_MOLWT( 128 ) / 'ELHOM ', 402.00D0 /\n DATA CHEMISTRY_SPC( 129 ), SPECIES_MOLWT( 129 ) / 'VROCIOXY ', 247.00D0 /\n DATA CHEMISTRY_SPC( 130 ), SPECIES_MOLWT( 130 ) / 'SLOWROC ', 75.40D0 /\n DATA CHEMISTRY_SPC( 131 ), SPECIES_MOLWT( 131 ) / 'ACRO ', 56.10D0 /\n DATA CHEMISTRY_SPC( 132 ), SPECIES_MOLWT( 132 ) / 'BDE13 ', 54.10D0 /\n DATA CHEMISTRY_SPC( 133 ), SPECIES_MOLWT( 133 ) / 'BDE13P ', 103.00D0 /\n DATA CHEMISTRY_SPC( 134 ), SPECIES_MOLWT( 134 ) / 'FURAN ', 96.10D0 /\n DATA CHEMISTRY_SPC( 135 ), SPECIES_MOLWT( 135 ) / 'FURANO2 ', 145.10D0 /\n DATA CHEMISTRY_SPC( 136 ), SPECIES_MOLWT( 136 ) / 'PROG ', 76.10D0 /\n DATA CHEMISTRY_SPC( 137 ), SPECIES_MOLWT( 137 ) / 'SESQ ', 204.40D0 /\n DATA CHEMISTRY_SPC( 138 ), SPECIES_MOLWT( 138 ) / 'SESQNRO2 ', 298.40D0 /\n DATA CHEMISTRY_SPC( 139 ), SPECIES_MOLWT( 139 ) / 'VROCN2OXY2 ', 282.40D0 /\n DATA CHEMISTRY_SPC( 140 ), SPECIES_MOLWT( 140 ) / 'SESQRO2 ', 253.40D0 /\n DATA CHEMISTRY_SPC( 141 ), SPECIES_MOLWT( 141 ) / 'VROCP0OXY2 ', 242.40D0 /\n DATA CHEMISTRY_SPC( 142 ), SPECIES_MOLWT( 142 ) / 'VROCP1OXY3 ', 202.30D0 /\n DATA CHEMISTRY_SPC( 143 ), SPECIES_MOLWT( 143 ) / 'AGLYJ ', 66.40D0 /\n DATA CHEMISTRY_SPC( 144 ), SPECIES_MOLWT( 144 ) / 'IEPOXP ', 118.10D0 /\n DATA CHEMISTRY_SPC( 145 ), SPECIES_MOLWT( 145 ) / 'AISO3NOSJ ', 136.20D0 /\n DATA CHEMISTRY_SPC( 146 ), SPECIES_MOLWT( 146 ) / 'ASO4J ', 96.00D0 /\n DATA CHEMISTRY_SPC( 147 ), SPECIES_MOLWT( 147 ) / 'AISO3OSJ ', 216.20D0 /\n DATA CHEMISTRY_SPC( 148 ), SPECIES_MOLWT( 148 ) / 'AISO4J ', 168.10D0 /\n DATA CHEMISTRY_SPC( 149 ), SPECIES_MOLWT( 149 ) / 'AISO5J ', 150.10D0 /\n DATA CHEMISTRY_SPC( 150 ), SPECIES_MOLWT( 150 ) / 'VROCP6ALK ', 184.37D0 /\n DATA CHEMISTRY_SPC( 151 ), SPECIES_MOLWT( 151 ) / 'VROCP6ALKP ', 215.36D0 /\n DATA CHEMISTRY_SPC( 152 ), SPECIES_MOLWT( 152 ) / 'VROCP5ALK ', 198.39D0 /\n DATA CHEMISTRY_SPC( 153 ), SPECIES_MOLWT( 153 ) / 'VROCP5ALKP ', 229.38D0 /\n DATA CHEMISTRY_SPC( 154 ), SPECIES_MOLWT( 154 ) / 'VROCP4ALK ', 254.50D0 /\n DATA CHEMISTRY_SPC( 155 ), SPECIES_MOLWT( 155 ) / 'VROCP4ALKP ', 285.49D0 /\n DATA CHEMISTRY_SPC( 156 ), SPECIES_MOLWT( 156 ) / 'VROCP3ALK ', 296.58D0 /\n DATA CHEMISTRY_SPC( 157 ), SPECIES_MOLWT( 157 ) / 'VROCP3ALKP ', 327.57D0 /\n DATA CHEMISTRY_SPC( 158 ), SPECIES_MOLWT( 158 ) / 'VROCP2ALK ', 338.66D0 /\n DATA CHEMISTRY_SPC( 159 ), SPECIES_MOLWT( 159 ) / 'VROCP2ALKP ', 369.65D0 /\n DATA CHEMISTRY_SPC( 160 ), SPECIES_MOLWT( 160 ) / 'VROCP1ALK ', 380.75D0 /\n DATA CHEMISTRY_SPC( 161 ), SPECIES_MOLWT( 161 ) / 'VROCP1ALKP ', 411.74D0 /\n DATA CHEMISTRY_SPC( 162 ), SPECIES_MOLWT( 162 ) / 'HC10 ', 142.28D0 /\n DATA CHEMISTRY_SPC( 163 ), SPECIES_MOLWT( 163 ) / 'VROCP6ALKP2 ', 231.36D0 /\n DATA CHEMISTRY_SPC( 164 ), SPECIES_MOLWT( 164 ) / 'VROCP5ALKP2 ', 245.38D0 /\n DATA CHEMISTRY_SPC( 165 ), SPECIES_MOLWT( 165 ) / 'VROCP4ALKP2 ', 301.49D0 /\n DATA CHEMISTRY_SPC( 166 ), SPECIES_MOLWT( 166 ) / 'VROCP2OXY2 ', 200.30D0 /\n DATA CHEMISTRY_SPC( 167 ), SPECIES_MOLWT( 167 ) / 'VROCP3ALKP2 ', 343.57D0 /\n DATA CHEMISTRY_SPC( 168 ), SPECIES_MOLWT( 168 ) / 'VROCP1OXY1 ', 270.50D0 /\n DATA CHEMISTRY_SPC( 169 ), SPECIES_MOLWT( 169 ) / 'VROCP2ALKP2 ', 385.65D0 /\n DATA CHEMISTRY_SPC( 170 ), SPECIES_MOLWT( 170 ) / 'VROCP1ALKP2 ', 427.73D0 /\n DATA CHEMISTRY_SPC( 171 ), SPECIES_MOLWT( 171 ) / 'VROCN1OXY1 ', 312.50D0 /\n DATA CHEMISTRY_SPC( 172 ), SPECIES_MOLWT( 172 ) / 'HC10P2 ', 189.27D0 /\n DATA CHEMISTRY_SPC( 173 ), SPECIES_MOLWT( 173 ) / 'VROCP6ARO ', 176.30D0 /\n DATA CHEMISTRY_SPC( 174 ), SPECIES_MOLWT( 174 ) / 'VROCP6AROP ', 257.30D0 /\n DATA CHEMISTRY_SPC( 175 ), SPECIES_MOLWT( 175 ) / 'VROCN2OXY4 ', 232.30D0 /\n DATA CHEMISTRY_SPC( 176 ), SPECIES_MOLWT( 176 ) / 'VROCN1OXY3 ', 230.30D0 /\n DATA CHEMISTRY_SPC( 177 ), SPECIES_MOLWT( 177 ) / 'VROCP5ARO ', 190.33D0 /\n DATA CHEMISTRY_SPC( 178 ), SPECIES_MOLWT( 178 ) / 'VROCP5AROP ', 271.33D0 /\n DATA CHEMISTRY_SPC( 179 ), SPECIES_MOLWT( 179 ) / 'NAPH ', 128.17D0 /\n DATA CHEMISTRY_SPC( 180 ), SPECIES_MOLWT( 180 ) / 'NAPHP ', 209.17D0 /\n DATA CHEMISTRY_SPC( 181 ), SPECIES_MOLWT( 181 ) / 'VROCN2OXY8 ', 194.20D0 /\n DATA CHEMISTRY_SPC( 182 ), SPECIES_MOLWT( 182 ) / 'VROCP5OXY1 ', 170.30D0 /\n DATA CHEMISTRY_SPC( 183 ), SPECIES_MOLWT( 183 ) / 'VROCP6OXY1 ', 142.20D0 /\n DATA CHEMISTRY_SPC( 184 ), SPECIES_MOLWT( 184 ) / 'ECH4 ', 16.00D0 /\n DATA CHEMISTRY_SPC( 185 ), SPECIES_MOLWT( 185 ) / 'ATRPNJ ', 215.00D0 /\n DATA CHEMISTRY_SPC( 186 ), SPECIES_MOLWT( 186 ) / 'AHOMJ ', 250.00D0 /\n DATA CHEMISTRY_SPC( 187 ), SPECIES_MOLWT( 187 ) / 'AHONITJ ', 265.00D0 /\n DATA CHEMISTRY_SPC( 188 ), SPECIES_MOLWT( 188 ) / 'STY ', 104.00D0 /\n DATA CHEMISTRY_SPC( 189 ), SPECIES_MOLWT( 189 ) / 'STYP ', 153.00D0 /\n\n\n DATA CGRID_INDEX( 1 ), SPECIES_TYPE( 1 ), CONVERT_CONC( 1 ) / 1, 'GC', F / ! O3\n DATA CGRID_INDEX( 2 ), SPECIES_TYPE( 2 ), CONVERT_CONC( 2 ) / 2, 'GC', F / ! O3P\n DATA CGRID_INDEX( 3 ), SPECIES_TYPE( 3 ), CONVERT_CONC( 3 ) / 3, 'GC', F / ! O1D\n DATA CGRID_INDEX( 4 ), SPECIES_TYPE( 4 ), CONVERT_CONC( 4 ) / 4, 'GC', F / ! H2O2\n DATA CGRID_INDEX( 5 ), SPECIES_TYPE( 5 ), CONVERT_CONC( 5 ) / 5, 'GC', F / ! HO\n DATA CGRID_INDEX( 6 ), SPECIES_TYPE( 6 ), CONVERT_CONC( 6 ) / 6, 'GC', F / ! NO2\n DATA CGRID_INDEX( 7 ), SPECIES_TYPE( 7 ), CONVERT_CONC( 7 ) / 7, 'GC', F / ! NO\n DATA CGRID_INDEX( 8 ), SPECIES_TYPE( 8 ), CONVERT_CONC( 8 ) / 8, 'GC', F / ! NO3\n DATA CGRID_INDEX( 9 ), SPECIES_TYPE( 9 ), CONVERT_CONC( 9 ) / 9, 'GC', F / ! HONO\n DATA CGRID_INDEX( 10 ), SPECIES_TYPE( 10 ), CONVERT_CONC( 10 ) / 10, 'GC', F / ! HNO3\n DATA CGRID_INDEX( 11 ), SPECIES_TYPE( 11 ), CONVERT_CONC( 11 ) / 11, 'GC', F / ! HNO4\n DATA CGRID_INDEX( 12 ), SPECIES_TYPE( 12 ), CONVERT_CONC( 12 ) / 12, 'GC', F / ! HO2\n DATA CGRID_INDEX( 13 ), SPECIES_TYPE( 13 ), CONVERT_CONC( 13 ) / 13, 'GC', F / ! HCHO\n DATA CGRID_INDEX( 14 ), SPECIES_TYPE( 14 ), CONVERT_CONC( 14 ) / 14, 'GC', F / ! CO\n DATA CGRID_INDEX( 15 ), SPECIES_TYPE( 15 ), CONVERT_CONC( 15 ) / 15, 'GC', F / ! ACD\n DATA CGRID_INDEX( 16 ), SPECIES_TYPE( 16 ), CONVERT_CONC( 16 ) / 16, 'GC', F / ! MO2\n DATA CGRID_INDEX( 17 ), SPECIES_TYPE( 17 ), CONVERT_CONC( 17 ) / 17, 'GC', F / ! ALD\n DATA CGRID_INDEX( 18 ), SPECIES_TYPE( 18 ), CONVERT_CONC( 18 ) / 18, 'GC', F / ! ETHP\n DATA CGRID_INDEX( 19 ), SPECIES_TYPE( 19 ), CONVERT_CONC( 19 ) / 19, 'GC', F / ! ACT\n DATA CGRID_INDEX( 20 ), SPECIES_TYPE( 20 ), CONVERT_CONC( 20 ) / 20, 'GC', F / ! ACO3\n DATA CGRID_INDEX( 21 ), SPECIES_TYPE( 21 ), CONVERT_CONC( 21 ) / 21, 'GC', F / ! UALD\n DATA CGRID_INDEX( 22 ), SPECIES_TYPE( 22 ), CONVERT_CONC( 22 ) / 22, 'GC', F / ! KET\n DATA CGRID_INDEX( 23 ), SPECIES_TYPE( 23 ), CONVERT_CONC( 23 ) / 81, 'GC', F / ! PINAL\n DATA CGRID_INDEX( 24 ), SPECIES_TYPE( 24 ), CONVERT_CONC( 24 ) / 52, 'GC', F / ! HC10P\n DATA CGRID_INDEX( 25 ), SPECIES_TYPE( 25 ), CONVERT_CONC( 25 ) / 88, 'GC', F / ! LIMAL\n DATA CGRID_INDEX( 26 ), SPECIES_TYPE( 26 ), CONVERT_CONC( 26 ) / 23, 'GC', F / ! MEK\n DATA CGRID_INDEX( 27 ), SPECIES_TYPE( 27 ), CONVERT_CONC( 27 ) / 24, 'GC', F / ! HKET\n DATA CGRID_INDEX( 28 ), SPECIES_TYPE( 28 ), CONVERT_CONC( 28 ) / 25, 'GC', F / ! MACR\n DATA CGRID_INDEX( 29 ), SPECIES_TYPE( 29 ), CONVERT_CONC( 29 ) / 26, 'GC', F / ! MACP\n DATA CGRID_INDEX( 30 ), SPECIES_TYPE( 30 ), CONVERT_CONC( 30 ) / 27, 'GC', F / ! XO2\n DATA CGRID_INDEX( 31 ), SPECIES_TYPE( 31 ), CONVERT_CONC( 31 ) / 28, 'GC', F / ! MVK\n DATA CGRID_INDEX( 32 ), SPECIES_TYPE( 32 ), CONVERT_CONC( 32 ) / 29, 'GC', F / ! GLY\n DATA CGRID_INDEX( 33 ), SPECIES_TYPE( 33 ), CONVERT_CONC( 33 ) / 30, 'GC', F / ! MGLY\n DATA CGRID_INDEX( 34 ), SPECIES_TYPE( 34 ), CONVERT_CONC( 34 ) / 31, 'GC', F / ! DCB1\n DATA CGRID_INDEX( 35 ), SPECIES_TYPE( 35 ), CONVERT_CONC( 35 ) / 32, 'GC', F / ! DCB2\n DATA CGRID_INDEX( 36 ), SPECIES_TYPE( 36 ), CONVERT_CONC( 36 ) / 33, 'GC', F / ! BALD\n DATA CGRID_INDEX( 37 ), SPECIES_TYPE( 37 ), CONVERT_CONC( 37 ) / 34, 'GC', F / ! CHO\n DATA CGRID_INDEX( 38 ), SPECIES_TYPE( 38 ), CONVERT_CONC( 38 ) / 35, 'GC', F / ! OP1\n DATA CGRID_INDEX( 39 ), SPECIES_TYPE( 39 ), CONVERT_CONC( 39 ) / 36, 'GC', F / ! OP2\n DATA CGRID_INDEX( 40 ), SPECIES_TYPE( 40 ), CONVERT_CONC( 40 ) / 37, 'GC', F / ! OPB\n DATA CGRID_INDEX( 41 ), SPECIES_TYPE( 41 ), CONVERT_CONC( 41 ) / 38, 'GC', F / ! OP3\n DATA CGRID_INDEX( 42 ), SPECIES_TYPE( 42 ), CONVERT_CONC( 42 ) / 39, 'GC', F / ! PAA\n DATA CGRID_INDEX( 43 ), SPECIES_TYPE( 43 ), CONVERT_CONC( 43 ) / 40, 'GC', F / ! ONIT\n DATA CGRID_INDEX( 44 ), SPECIES_TYPE( 44 ), CONVERT_CONC( 44 ) / 41, 'GC', F / ! PAN\n DATA CGRID_INDEX( 45 ), SPECIES_TYPE( 45 ), CONVERT_CONC( 45 ) / 120, 'GC', F / ! TRPN\n DATA CGRID_INDEX( 46 ), SPECIES_TYPE( 46 ), CONVERT_CONC( 46 ) / 121, 'GC', F / ! HONIT\n DATA CGRID_INDEX( 47 ), SPECIES_TYPE( 47 ), CONVERT_CONC( 47 ) / 42, 'GC', F / ! N2O5\n DATA CGRID_INDEX( 48 ), SPECIES_TYPE( 48 ), CONVERT_CONC( 48 ) / 43, 'GC', F / ! SO2\n DATA CGRID_INDEX( 49 ), SPECIES_TYPE( 49 ), CONVERT_CONC( 49 ) / 44, 'GC', F / ! SULF\n DATA CGRID_INDEX( 50 ), SPECIES_TYPE( 50 ), CONVERT_CONC( 50 ) / 45, 'GC', F / ! SULRXN\n DATA CGRID_INDEX( 51 ), SPECIES_TYPE( 51 ), CONVERT_CONC( 51 ) / 46, 'GC', F / ! ETH\n DATA CGRID_INDEX( 52 ), SPECIES_TYPE( 52 ), CONVERT_CONC( 52 ) / 47, 'GC', F / ! HC3\n DATA CGRID_INDEX( 53 ), SPECIES_TYPE( 53 ), CONVERT_CONC( 53 ) / 48, 'GC', F / ! HC3P\n DATA CGRID_INDEX( 54 ), SPECIES_TYPE( 54 ), CONVERT_CONC( 54 ) / 193, 'AE', T / ! ASOATJ\n DATA CGRID_INDEX( 55 ), SPECIES_TYPE( 55 ), CONVERT_CONC( 55 ) / 49, 'GC', F / ! HC5\n DATA CGRID_INDEX( 56 ), SPECIES_TYPE( 56 ), CONVERT_CONC( 56 ) / 50, 'GC', F / ! HC5P\n DATA CGRID_INDEX( 57 ), SPECIES_TYPE( 57 ), CONVERT_CONC( 57 ) / 54, 'GC', F / ! ETE\n DATA CGRID_INDEX( 58 ), SPECIES_TYPE( 58 ), CONVERT_CONC( 58 ) / 55, 'GC', F / ! ETEP\n DATA CGRID_INDEX( 59 ), SPECIES_TYPE( 59 ), CONVERT_CONC( 59 ) / 56, 'GC', F / ! OLT\n DATA CGRID_INDEX( 60 ), SPECIES_TYPE( 60 ), CONVERT_CONC( 60 ) / 57, 'GC', F / ! OLTP\n DATA CGRID_INDEX( 61 ), SPECIES_TYPE( 61 ), CONVERT_CONC( 61 ) / 58, 'GC', F / ! OLI\n DATA CGRID_INDEX( 62 ), SPECIES_TYPE( 62 ), CONVERT_CONC( 62 ) / 59, 'GC', F / ! OLIP\n DATA CGRID_INDEX( 63 ), SPECIES_TYPE( 63 ), CONVERT_CONC( 63 ) / 60, 'GC', F / ! ACE\n DATA CGRID_INDEX( 64 ), SPECIES_TYPE( 64 ), CONVERT_CONC( 64 ) / 61, 'GC', F / ! ORA1\n DATA CGRID_INDEX( 65 ), SPECIES_TYPE( 65 ), CONVERT_CONC( 65 ) / 62, 'GC', F / ! BEN\n DATA CGRID_INDEX( 66 ), SPECIES_TYPE( 66 ), CONVERT_CONC( 66 ) / 63, 'GC', F / ! BENP\n DATA CGRID_INDEX( 67 ), SPECIES_TYPE( 67 ), CONVERT_CONC( 67 ) / 64, 'GC', F / ! PHEN\n DATA CGRID_INDEX( 68 ), SPECIES_TYPE( 68 ), CONVERT_CONC( 68 ) / 65, 'GC', F / ! TOL\n DATA CGRID_INDEX( 69 ), SPECIES_TYPE( 69 ), CONVERT_CONC( 69 ) / 70, 'GC', F / ! TOLP\n DATA CGRID_INDEX( 70 ), SPECIES_TYPE( 70 ), CONVERT_CONC( 70 ) / 66, 'GC', F / ! CSL\n DATA CGRID_INDEX( 71 ), SPECIES_TYPE( 71 ), CONVERT_CONC( 71 ) / 67, 'GC', F / ! XYL\n DATA CGRID_INDEX( 72 ), SPECIES_TYPE( 72 ), CONVERT_CONC( 72 ) / 71, 'GC', F / ! XYLP\n DATA CGRID_INDEX( 73 ), SPECIES_TYPE( 73 ), CONVERT_CONC( 73 ) / 68, 'GC', F / ! EBZ\n DATA CGRID_INDEX( 74 ), SPECIES_TYPE( 74 ), CONVERT_CONC( 74 ) / 72, 'GC', F / ! EBZP\n DATA CGRID_INDEX( 75 ), SPECIES_TYPE( 75 ), CONVERT_CONC( 75 ) / 74, 'GC', F / ! ISO\n DATA CGRID_INDEX( 76 ), SPECIES_TYPE( 76 ), CONVERT_CONC( 76 ) / 118, 'GC', F / ! ISON\n DATA CGRID_INDEX( 77 ), SPECIES_TYPE( 77 ), CONVERT_CONC( 77 ) / 117, 'GC', F / ! INO2\n DATA CGRID_INDEX( 78 ), SPECIES_TYPE( 78 ), CONVERT_CONC( 78 ) / 75, 'GC', F / ! ISOP\n DATA CGRID_INDEX( 79 ), SPECIES_TYPE( 79 ), CONVERT_CONC( 79 ) / 108, 'GC', F / ! ISHP\n DATA CGRID_INDEX( 80 ), SPECIES_TYPE( 80 ), CONVERT_CONC( 80 ) / 109, 'GC', F / ! IEPOX\n DATA CGRID_INDEX( 81 ), SPECIES_TYPE( 81 ), CONVERT_CONC( 81 ) / 119, 'GC', F / ! IPX\n DATA CGRID_INDEX( 82 ), SPECIES_TYPE( 82 ), CONVERT_CONC( 82 ) / 116, 'GC', F / ! INALD\n DATA CGRID_INDEX( 83 ), SPECIES_TYPE( 83 ), CONVERT_CONC( 83 ) / 106, 'GC', F / ! ROH\n DATA CGRID_INDEX( 84 ), SPECIES_TYPE( 84 ), CONVERT_CONC( 84 ) / 76, 'GC', F / ! API\n DATA CGRID_INDEX( 85 ), SPECIES_TYPE( 85 ), CONVERT_CONC( 85 ) / 77, 'GC', F / ! APIP1\n DATA CGRID_INDEX( 86 ), SPECIES_TYPE( 86 ), CONVERT_CONC( 86 ) / 78, 'GC', F / ! APIP2\n DATA CGRID_INDEX( 87 ), SPECIES_TYPE( 87 ), CONVERT_CONC( 87 ) / 83, 'GC', F / ! LIM\n DATA CGRID_INDEX( 88 ), SPECIES_TYPE( 88 ), CONVERT_CONC( 88 ) / 84, 'GC', F / ! LIMP1\n DATA CGRID_INDEX( 89 ), SPECIES_TYPE( 89 ), CONVERT_CONC( 89 ) / 85, 'GC', F / ! LIMP2\n DATA CGRID_INDEX( 90 ), SPECIES_TYPE( 90 ), CONVERT_CONC( 90 ) / 82, 'GC', F / ! PINALP\n DATA CGRID_INDEX( 91 ), SPECIES_TYPE( 91 ), CONVERT_CONC( 91 ) / 92, 'GC', F / ! RCO3\n DATA CGRID_INDEX( 92 ), SPECIES_TYPE( 92 ), CONVERT_CONC( 92 ) / 89, 'GC', F / ! LIMALP\n DATA CGRID_INDEX( 93 ), SPECIES_TYPE( 93 ), CONVERT_CONC( 93 ) / 93, 'GC', F / ! ACTP\n DATA CGRID_INDEX( 94 ), SPECIES_TYPE( 94 ), CONVERT_CONC( 94 ) / 94, 'GC', F / ! MEKP\n DATA CGRID_INDEX( 95 ), SPECIES_TYPE( 95 ), CONVERT_CONC( 95 ) / 95, 'GC', F / ! KETP\n DATA CGRID_INDEX( 96 ), SPECIES_TYPE( 96 ), CONVERT_CONC( 96 ) / 96, 'GC', F / ! MCP\n DATA CGRID_INDEX( 97 ), SPECIES_TYPE( 97 ), CONVERT_CONC( 97 ) / 97, 'GC', F / ! MVKP\n DATA CGRID_INDEX( 98 ), SPECIES_TYPE( 98 ), CONVERT_CONC( 98 ) / 98, 'GC', F / ! UALP\n DATA CGRID_INDEX( 99 ), SPECIES_TYPE( 99 ), CONVERT_CONC( 99 ) / 99, 'GC', F / ! DCB3\n DATA CGRID_INDEX( 100 ), SPECIES_TYPE( 100 ), CONVERT_CONC( 100 ) / 100, 'GC', F / ! BALP\n DATA CGRID_INDEX( 101 ), SPECIES_TYPE( 101 ), CONVERT_CONC( 101 ) / 101, 'GC', F / ! ADDC\n DATA CGRID_INDEX( 102 ), SPECIES_TYPE( 102 ), CONVERT_CONC( 102 ) / 102, 'GC', F / ! MCT\n DATA CGRID_INDEX( 103 ), SPECIES_TYPE( 103 ), CONVERT_CONC( 103 ) / 103, 'GC', F / ! MCTO\n DATA CGRID_INDEX( 104 ), SPECIES_TYPE( 104 ), CONVERT_CONC( 104 ) / 104, 'GC', F / ! MOH\n DATA CGRID_INDEX( 105 ), SPECIES_TYPE( 105 ), CONVERT_CONC( 105 ) / 105, 'GC', F / ! EOH\n DATA CGRID_INDEX( 106 ), SPECIES_TYPE( 106 ), CONVERT_CONC( 106 ) / 107, 'GC', F / ! ETEG\n DATA CGRID_INDEX( 107 ), SPECIES_TYPE( 107 ), CONVERT_CONC( 107 ) / 111, 'GC', F / ! MAHP\n DATA CGRID_INDEX( 108 ), SPECIES_TYPE( 108 ), CONVERT_CONC( 108 ) / 112, 'GC', F / ! ORA2\n DATA CGRID_INDEX( 109 ), SPECIES_TYPE( 109 ), CONVERT_CONC( 109 ) / 113, 'GC', F / ! ORAP\n DATA CGRID_INDEX( 110 ), SPECIES_TYPE( 110 ), CONVERT_CONC( 110 ) / 114, 'GC', F / ! PPN\n DATA CGRID_INDEX( 111 ), SPECIES_TYPE( 111 ), CONVERT_CONC( 111 ) / 115, 'GC', F / ! MPAN\n DATA CGRID_INDEX( 112 ), SPECIES_TYPE( 112 ), CONVERT_CONC( 112 ) / 122, 'GC', F / ! MCTP\n DATA CGRID_INDEX( 113 ), SPECIES_TYPE( 113 ), CONVERT_CONC( 113 ) / 123, 'GC', F / ! OLNN\n DATA CGRID_INDEX( 114 ), SPECIES_TYPE( 114 ), CONVERT_CONC( 114 ) / 124, 'GC', F / ! OLND\n DATA CGRID_INDEX( 115 ), SPECIES_TYPE( 115 ), CONVERT_CONC( 115 ) / 79, 'GC', F / ! APINP1\n DATA CGRID_INDEX( 116 ), SPECIES_TYPE( 116 ), CONVERT_CONC( 116 ) / 80, 'GC', F / ! APINP2\n DATA CGRID_INDEX( 117 ), SPECIES_TYPE( 117 ), CONVERT_CONC( 117 ) / 86, 'GC', F / ! LIMNP1\n DATA CGRID_INDEX( 118 ), SPECIES_TYPE( 118 ), CONVERT_CONC( 118 ) / 87, 'GC', F / ! LIMNP2\n DATA CGRID_INDEX( 119 ), SPECIES_TYPE( 119 ), CONVERT_CONC( 119 ) / 125, 'GC', F / ! ADCN\n DATA CGRID_INDEX( 120 ), SPECIES_TYPE( 120 ), CONVERT_CONC( 120 ) / 90, 'GC', F / ! HOM\n DATA CGRID_INDEX( 121 ), SPECIES_TYPE( 121 ), CONVERT_CONC( 121 ) / 179, 'GC', F / ! VROCP4OXY2\n DATA CGRID_INDEX( 122 ), SPECIES_TYPE( 122 ), CONVERT_CONC( 122 ) / 172, 'GC', F / ! VROCN1OXY6\n DATA CGRID_INDEX( 123 ), SPECIES_TYPE( 123 ), CONVERT_CONC( 123 ) / 134, 'GC', F / ! FURANONE\n DATA CGRID_INDEX( 124 ), SPECIES_TYPE( 124 ), CONVERT_CONC( 124 ) / 178, 'GC', F / ! VROCP3OXY2\n DATA CGRID_INDEX( 125 ), SPECIES_TYPE( 125 ), CONVERT_CONC( 125 ) / 174, 'GC', F / ! VROCP0OXY4\n DATA CGRID_INDEX( 126 ), SPECIES_TYPE( 126 ), CONVERT_CONC( 126 ) / 126, 'GC', F / ! BAL1\n DATA CGRID_INDEX( 127 ), SPECIES_TYPE( 127 ), CONVERT_CONC( 127 ) / 127, 'GC', F / ! BAL2\n DATA CGRID_INDEX( 128 ), SPECIES_TYPE( 128 ), CONVERT_CONC( 128 ) / 91, 'GC', F / ! ELHOM\n DATA CGRID_INDEX( 129 ), SPECIES_TYPE( 129 ), CONVERT_CONC( 129 ) / 135, 'GC', F / ! VROCIOXY\n DATA CGRID_INDEX( 130 ), SPECIES_TYPE( 130 ), CONVERT_CONC( 130 ) / 136, 'GC', F / ! SLOWROC\n DATA CGRID_INDEX( 131 ), SPECIES_TYPE( 131 ), CONVERT_CONC( 131 ) / 128, 'GC', F / ! ACRO\n DATA CGRID_INDEX( 132 ), SPECIES_TYPE( 132 ), CONVERT_CONC( 132 ) / 129, 'GC', F / ! BDE13\n DATA CGRID_INDEX( 133 ), SPECIES_TYPE( 133 ), CONVERT_CONC( 133 ) / 130, 'GC', F / ! BDE13P\n DATA CGRID_INDEX( 134 ), SPECIES_TYPE( 134 ), CONVERT_CONC( 134 ) / 132, 'GC', F / ! FURAN\n DATA CGRID_INDEX( 135 ), SPECIES_TYPE( 135 ), CONVERT_CONC( 135 ) / 133, 'GC', F / ! FURANO2\n DATA CGRID_INDEX( 136 ), SPECIES_TYPE( 136 ), CONVERT_CONC( 136 ) / 131, 'GC', F / ! PROG\n DATA CGRID_INDEX( 137 ), SPECIES_TYPE( 137 ), CONVERT_CONC( 137 ) / 137, 'GC', F / ! SESQ\n DATA CGRID_INDEX( 138 ), SPECIES_TYPE( 138 ), CONVERT_CONC( 138 ) / 139, 'GC', F / ! SESQNRO2\n DATA CGRID_INDEX( 139 ), SPECIES_TYPE( 139 ), CONVERT_CONC( 139 ) / 167, 'GC', F / ! VROCN2OXY2\n DATA CGRID_INDEX( 140 ), SPECIES_TYPE( 140 ), CONVERT_CONC( 140 ) / 138, 'GC', F / ! SESQRO2\n DATA CGRID_INDEX( 141 ), SPECIES_TYPE( 141 ), CONVERT_CONC( 141 ) / 173, 'GC', F / ! VROCP0OXY2\n DATA CGRID_INDEX( 142 ), SPECIES_TYPE( 142 ), CONVERT_CONC( 142 ) / 176, 'GC', F / ! VROCP1OXY3\n DATA CGRID_INDEX( 143 ), SPECIES_TYPE( 143 ), CONVERT_CONC( 143 ) / 194, 'AE', T / ! AGLYJ\n DATA CGRID_INDEX( 144 ), SPECIES_TYPE( 144 ), CONVERT_CONC( 144 ) / 110, 'GC', F / ! IEPOXP\n DATA CGRID_INDEX( 145 ), SPECIES_TYPE( 145 ), CONVERT_CONC( 145 ) / 268, 'AE', T / ! AISO3NOSJ\n DATA CGRID_INDEX( 146 ), SPECIES_TYPE( 146 ), CONVERT_CONC( 146 ) / 185, 'AE', T / ! ASO4J\n DATA CGRID_INDEX( 147 ), SPECIES_TYPE( 147 ), CONVERT_CONC( 147 ) / 269, 'AE', T / ! AISO3OSJ\n DATA CGRID_INDEX( 148 ), SPECIES_TYPE( 148 ), CONVERT_CONC( 148 ) / 270, 'AE', T / ! AISO4J\n DATA CGRID_INDEX( 149 ), SPECIES_TYPE( 149 ), CONVERT_CONC( 149 ) / 271, 'AE', T / ! AISO5J\n DATA CGRID_INDEX( 150 ), SPECIES_TYPE( 150 ), CONVERT_CONC( 150 ) / 154, 'GC', F / ! VROCP6ALK\n DATA CGRID_INDEX( 151 ), SPECIES_TYPE( 151 ), CONVERT_CONC( 151 ) / 160, 'GC', F / ! VROCP6ALKP\n DATA CGRID_INDEX( 152 ), SPECIES_TYPE( 152 ), CONVERT_CONC( 152 ) / 153, 'GC', F / ! VROCP5ALK\n DATA CGRID_INDEX( 153 ), SPECIES_TYPE( 153 ), CONVERT_CONC( 153 ) / 159, 'GC', F / ! VROCP5ALKP\n DATA CGRID_INDEX( 154 ), SPECIES_TYPE( 154 ), CONVERT_CONC( 154 ) / 152, 'GC', F / ! VROCP4ALK\n DATA CGRID_INDEX( 155 ), SPECIES_TYPE( 155 ), CONVERT_CONC( 155 ) / 158, 'GC', F / ! VROCP4ALKP\n DATA CGRID_INDEX( 156 ), SPECIES_TYPE( 156 ), CONVERT_CONC( 156 ) / 151, 'GC', F / ! VROCP3ALK\n DATA CGRID_INDEX( 157 ), SPECIES_TYPE( 157 ), CONVERT_CONC( 157 ) / 157, 'GC', F / ! VROCP3ALKP\n DATA CGRID_INDEX( 158 ), SPECIES_TYPE( 158 ), CONVERT_CONC( 158 ) / 150, 'GC', F / ! VROCP2ALK\n DATA CGRID_INDEX( 159 ), SPECIES_TYPE( 159 ), CONVERT_CONC( 159 ) / 156, 'GC', F / ! VROCP2ALKP\n DATA CGRID_INDEX( 160 ), SPECIES_TYPE( 160 ), CONVERT_CONC( 160 ) / 149, 'GC', F / ! VROCP1ALK\n DATA CGRID_INDEX( 161 ), SPECIES_TYPE( 161 ), CONVERT_CONC( 161 ) / 155, 'GC', F / ! VROCP1ALKP\n DATA CGRID_INDEX( 162 ), SPECIES_TYPE( 162 ), CONVERT_CONC( 162 ) / 51, 'GC', F / ! HC10\n DATA CGRID_INDEX( 163 ), SPECIES_TYPE( 163 ), CONVERT_CONC( 163 ) / 166, 'GC', F / ! VROCP6ALKP2\n DATA CGRID_INDEX( 164 ), SPECIES_TYPE( 164 ), CONVERT_CONC( 164 ) / 165, 'GC', F / ! VROCP5ALKP2\n DATA CGRID_INDEX( 165 ), SPECIES_TYPE( 165 ), CONVERT_CONC( 165 ) / 164, 'GC', F / ! VROCP4ALKP2\n DATA CGRID_INDEX( 166 ), SPECIES_TYPE( 166 ), CONVERT_CONC( 166 ) / 177, 'GC', F / ! VROCP2OXY2\n DATA CGRID_INDEX( 167 ), SPECIES_TYPE( 167 ), CONVERT_CONC( 167 ) / 163, 'GC', F / ! VROCP3ALKP2\n DATA CGRID_INDEX( 168 ), SPECIES_TYPE( 168 ), CONVERT_CONC( 168 ) / 175, 'GC', F / ! VROCP1OXY1\n DATA CGRID_INDEX( 169 ), SPECIES_TYPE( 169 ), CONVERT_CONC( 169 ) / 162, 'GC', F / ! VROCP2ALKP2\n DATA CGRID_INDEX( 170 ), SPECIES_TYPE( 170 ), CONVERT_CONC( 170 ) / 161, 'GC', F / ! VROCP1ALKP2\n DATA CGRID_INDEX( 171 ), SPECIES_TYPE( 171 ), CONVERT_CONC( 171 ) / 170, 'GC', F / ! VROCN1OXY1\n DATA CGRID_INDEX( 172 ), SPECIES_TYPE( 172 ), CONVERT_CONC( 172 ) / 53, 'GC', F / ! HC10P2\n DATA CGRID_INDEX( 173 ), SPECIES_TYPE( 173 ), CONVERT_CONC( 173 ) / 143, 'GC', F / ! VROCP6ARO\n DATA CGRID_INDEX( 174 ), SPECIES_TYPE( 174 ), CONVERT_CONC( 174 ) / 145, 'GC', F / ! VROCP6AROP\n DATA CGRID_INDEX( 175 ), SPECIES_TYPE( 175 ), CONVERT_CONC( 175 ) / 168, 'GC', F / ! VROCN2OXY4\n DATA CGRID_INDEX( 176 ), SPECIES_TYPE( 176 ), CONVERT_CONC( 176 ) / 171, 'GC', F / ! VROCN1OXY3\n DATA CGRID_INDEX( 177 ), SPECIES_TYPE( 177 ), CONVERT_CONC( 177 ) / 142, 'GC', F / ! VROCP5ARO\n DATA CGRID_INDEX( 178 ), SPECIES_TYPE( 178 ), CONVERT_CONC( 178 ) / 144, 'GC', F / ! VROCP5AROP\n DATA CGRID_INDEX( 179 ), SPECIES_TYPE( 179 ), CONVERT_CONC( 179 ) / 140, 'GC', F / ! NAPH\n DATA CGRID_INDEX( 180 ), SPECIES_TYPE( 180 ), CONVERT_CONC( 180 ) / 141, 'GC', F / ! NAPHP\n DATA CGRID_INDEX( 181 ), SPECIES_TYPE( 181 ), CONVERT_CONC( 181 ) / 169, 'GC', F / ! VROCN2OXY8\n DATA CGRID_INDEX( 182 ), SPECIES_TYPE( 182 ), CONVERT_CONC( 182 ) / 180, 'GC', F / ! VROCP5OXY1\n DATA CGRID_INDEX( 183 ), SPECIES_TYPE( 183 ), CONVERT_CONC( 183 ) / 181, 'GC', F / ! VROCP6OXY1\n DATA CGRID_INDEX( 184 ), SPECIES_TYPE( 184 ), CONVERT_CONC( 184 ) / 182, 'GC', F / ! ECH4\n DATA CGRID_INDEX( 185 ), SPECIES_TYPE( 185 ), CONVERT_CONC( 185 ) / 272, 'AE', T / ! ATRPNJ\n DATA CGRID_INDEX( 186 ), SPECIES_TYPE( 186 ), CONVERT_CONC( 186 ) / 195, 'AE', T / ! AHOMJ\n DATA CGRID_INDEX( 187 ), SPECIES_TYPE( 187 ), CONVERT_CONC( 187 ) / 273, 'AE', T / ! AHONITJ\n DATA CGRID_INDEX( 188 ), SPECIES_TYPE( 188 ), CONVERT_CONC( 188 ) / 69, 'GC', F / ! STY\n DATA CGRID_INDEX( 189 ), SPECIES_TYPE( 189 ), CONVERT_CONC( 189 ) / 73, 'GC', F / ! STYP\n\n! The below integers define the locations of mechanism species in the solver\n! concentration array.\n\n INTEGER :: INDEX_O3 = 1\n INTEGER :: INDEX_O3P = 2\n INTEGER :: INDEX_O1D = 3\n INTEGER :: INDEX_H2O2 = 4\n INTEGER :: INDEX_HO = 5\n INTEGER :: INDEX_NO2 = 6\n INTEGER :: INDEX_NO = 7\n INTEGER :: INDEX_NO3 = 8\n INTEGER :: INDEX_HONO = 9\n INTEGER :: INDEX_HNO3 = 10\n INTEGER :: INDEX_HNO4 = 11\n INTEGER :: INDEX_HO2 = 12\n INTEGER :: INDEX_HCHO = 13\n INTEGER :: INDEX_CO = 14\n INTEGER :: INDEX_ACD = 15\n INTEGER :: INDEX_MO2 = 16\n INTEGER :: INDEX_ALD = 17\n INTEGER :: INDEX_ETHP = 18\n INTEGER :: INDEX_ACT = 19\n INTEGER :: INDEX_ACO3 = 20\n INTEGER :: INDEX_UALD = 21\n INTEGER :: INDEX_KET = 22\n INTEGER :: INDEX_PINAL = 23\n INTEGER :: INDEX_HC10P = 24\n INTEGER :: INDEX_LIMAL = 25\n INTEGER :: INDEX_MEK = 26\n INTEGER :: INDEX_HKET = 27\n INTEGER :: INDEX_MACR = 28\n INTEGER :: INDEX_MACP = 29\n INTEGER :: INDEX_XO2 = 30\n INTEGER :: INDEX_MVK = 31\n INTEGER :: INDEX_GLY = 32\n INTEGER :: INDEX_MGLY = 33\n INTEGER :: INDEX_DCB1 = 34\n INTEGER :: INDEX_DCB2 = 35\n INTEGER :: INDEX_BALD = 36\n INTEGER :: INDEX_CHO = 37\n INTEGER :: INDEX_OP1 = 38\n INTEGER :: INDEX_OP2 = 39\n INTEGER :: INDEX_OPB = 40\n INTEGER :: INDEX_OP3 = 41\n INTEGER :: INDEX_PAA = 42\n INTEGER :: INDEX_ONIT = 43\n INTEGER :: INDEX_PAN = 44\n INTEGER :: INDEX_TRPN = 45\n INTEGER :: INDEX_HONIT = 46\n INTEGER :: INDEX_N2O5 = 47\n INTEGER :: INDEX_SO2 = 48\n INTEGER :: INDEX_SULF = 49\n INTEGER :: INDEX_SULRXN = 50\n INTEGER :: INDEX_ETH = 51\n INTEGER :: INDEX_HC3 = 52\n INTEGER :: INDEX_HC3P = 53\n INTEGER :: INDEX_ASOATJ = 54\n INTEGER :: INDEX_HC5 = 55\n INTEGER :: INDEX_HC5P = 56\n INTEGER :: INDEX_ETE = 57\n INTEGER :: INDEX_ETEP = 58\n INTEGER :: INDEX_OLT = 59\n INTEGER :: INDEX_OLTP = 60\n INTEGER :: INDEX_OLI = 61\n INTEGER :: INDEX_OLIP = 62\n INTEGER :: INDEX_ACE = 63\n INTEGER :: INDEX_ORA1 = 64\n INTEGER :: INDEX_BEN = 65\n INTEGER :: INDEX_BENP = 66\n INTEGER :: INDEX_PHEN = 67\n INTEGER :: INDEX_TOL = 68\n INTEGER :: INDEX_TOLP = 69\n INTEGER :: INDEX_CSL = 70\n INTEGER :: INDEX_XYL = 71\n INTEGER :: INDEX_XYLP = 72\n INTEGER :: INDEX_EBZ = 73\n INTEGER :: INDEX_EBZP = 74\n INTEGER :: INDEX_ISO = 75\n INTEGER :: INDEX_ISON = 76\n INTEGER :: INDEX_INO2 = 77\n INTEGER :: INDEX_ISOP = 78\n INTEGER :: INDEX_ISHP = 79\n INTEGER :: INDEX_IEPOX = 80\n INTEGER :: INDEX_IPX = 81\n INTEGER :: INDEX_INALD = 82\n INTEGER :: INDEX_ROH = 83\n INTEGER :: INDEX_API = 84\n INTEGER :: INDEX_APIP1 = 85\n INTEGER :: INDEX_APIP2 = 86\n INTEGER :: INDEX_LIM = 87\n INTEGER :: INDEX_LIMP1 = 88\n INTEGER :: INDEX_LIMP2 = 89\n INTEGER :: INDEX_PINALP = 90\n INTEGER :: INDEX_RCO3 = 91\n INTEGER :: INDEX_LIMALP = 92\n INTEGER :: INDEX_ACTP = 93\n INTEGER :: INDEX_MEKP = 94\n INTEGER :: INDEX_KETP = 95\n INTEGER :: INDEX_MCP = 96\n INTEGER :: INDEX_MVKP = 97\n INTEGER :: INDEX_UALP = 98\n INTEGER :: INDEX_DCB3 = 99\n INTEGER :: INDEX_BALP = 100\n INTEGER :: INDEX_ADDC = 101\n INTEGER :: INDEX_MCT = 102\n INTEGER :: INDEX_MCTO = 103\n INTEGER :: INDEX_MOH = 104\n INTEGER :: INDEX_EOH = 105\n INTEGER :: INDEX_ETEG = 106\n INTEGER :: INDEX_MAHP = 107\n INTEGER :: INDEX_ORA2 = 108\n INTEGER :: INDEX_ORAP = 109\n INTEGER :: INDEX_PPN = 110\n INTEGER :: INDEX_MPAN = 111\n INTEGER :: INDEX_MCTP = 112\n INTEGER :: INDEX_OLNN = 113\n INTEGER :: INDEX_OLND = 114\n INTEGER :: INDEX_APINP1 = 115\n INTEGER :: INDEX_APINP2 = 116\n INTEGER :: INDEX_LIMNP1 = 117\n INTEGER :: INDEX_LIMNP2 = 118\n INTEGER :: INDEX_ADCN = 119\n INTEGER :: INDEX_HOM = 120\n INTEGER :: INDEX_VROCP4OXY2 = 121\n INTEGER :: INDEX_VROCN1OXY6 = 122\n INTEGER :: INDEX_FURANONE = 123\n INTEGER :: INDEX_VROCP3OXY2 = 124\n INTEGER :: INDEX_VROCP0OXY4 = 125\n INTEGER :: INDEX_BAL1 = 126\n INTEGER :: INDEX_BAL2 = 127\n INTEGER :: INDEX_ELHOM = 128\n INTEGER :: INDEX_VROCIOXY = 129\n INTEGER :: INDEX_SLOWROC = 130\n INTEGER :: INDEX_ACRO = 131\n INTEGER :: INDEX_BDE13 = 132\n INTEGER :: INDEX_BDE13P = 133\n INTEGER :: INDEX_FURAN = 134\n INTEGER :: INDEX_FURANO2 = 135\n INTEGER :: INDEX_PROG = 136\n INTEGER :: INDEX_SESQ = 137\n INTEGER :: INDEX_SESQNRO2 = 138\n INTEGER :: INDEX_VROCN2OXY2 = 139\n INTEGER :: INDEX_SESQRO2 = 140\n INTEGER :: INDEX_VROCP0OXY2 = 141\n INTEGER :: INDEX_VROCP1OXY3 = 142\n INTEGER :: INDEX_AGLYJ = 143\n INTEGER :: INDEX_IEPOXP = 144\n INTEGER :: INDEX_AISO3NOSJ = 145\n INTEGER :: INDEX_ASO4J = 146\n INTEGER :: INDEX_AISO3OSJ = 147\n INTEGER :: INDEX_AISO4J = 148\n INTEGER :: INDEX_AISO5J = 149\n INTEGER :: INDEX_VROCP6ALK = 150\n INTEGER :: INDEX_VROCP6ALKP = 151\n INTEGER :: INDEX_VROCP5ALK = 152\n INTEGER :: INDEX_VROCP5ALKP = 153\n INTEGER :: INDEX_VROCP4ALK = 154\n INTEGER :: INDEX_VROCP4ALKP = 155\n INTEGER :: INDEX_VROCP3ALK = 156\n INTEGER :: INDEX_VROCP3ALKP = 157\n INTEGER :: INDEX_VROCP2ALK = 158\n INTEGER :: INDEX_VROCP2ALKP = 159\n INTEGER :: INDEX_VROCP1ALK = 160\n INTEGER :: INDEX_VROCP1ALKP = 161\n INTEGER :: INDEX_HC10 = 162\n INTEGER :: INDEX_VROCP6ALKP2 = 163\n INTEGER :: INDEX_VROCP5ALKP2 = 164\n INTEGER :: INDEX_VROCP4ALKP2 = 165\n INTEGER :: INDEX_VROCP2OXY2 = 166\n INTEGER :: INDEX_VROCP3ALKP2 = 167\n INTEGER :: INDEX_VROCP1OXY1 = 168\n INTEGER :: INDEX_VROCP2ALKP2 = 169\n INTEGER :: INDEX_VROCP1ALKP2 = 170\n INTEGER :: INDEX_VROCN1OXY1 = 171\n INTEGER :: INDEX_HC10P2 = 172\n INTEGER :: INDEX_VROCP6ARO = 173\n INTEGER :: INDEX_VROCP6AROP = 174\n INTEGER :: INDEX_VROCN2OXY4 = 175\n INTEGER :: INDEX_VROCN1OXY3 = 176\n INTEGER :: INDEX_VROCP5ARO = 177\n INTEGER :: INDEX_VROCP5AROP = 178\n INTEGER :: INDEX_NAPH = 179\n INTEGER :: INDEX_NAPHP = 180\n INTEGER :: INDEX_VROCN2OXY8 = 181\n INTEGER :: INDEX_VROCP5OXY1 = 182\n INTEGER :: INDEX_VROCP6OXY1 = 183\n INTEGER :: INDEX_ECH4 = 184\n INTEGER :: INDEX_ATRPNJ = 185\n INTEGER :: INDEX_AHOMJ = 186\n INTEGER :: INDEX_AHONITJ = 187\n INTEGER :: INDEX_STY = 188\n INTEGER :: INDEX_STYP = 189\n\n INTEGER, PARAMETER :: N_ACT_SP = 189\n\n INTEGER, PARAMETER :: NRXNS = 531\n\n INTEGER, PARAMETER :: ONE_REACT_REACTIONS = 0\n\n INTEGER, PARAMETER :: TWO_REACT_REACTIONS = 0\n\n INTEGER, PARAMETER :: THREE_REACT_REACTIONS = 0\n\n INTEGER, PARAMETER :: ZERO_REACT_REACTIONS = 0\n\n LOGICAL, PARAMETER :: UNITARY_REACTIONS = .FALSE.\n\n INTEGER, PARAMETER :: ONE_REACT_START = 0\n\n INTEGER, PARAMETER :: ONE_REACT_STOP = -1\n\n LOGICAL, PARAMETER :: BINARY_REACTIONS = .FALSE.\n\n INTEGER, PARAMETER :: TWO_REACT_START = 0\n\n INTEGER, PARAMETER :: TWO_REACT_STOP = -1\n\n LOGICAL, PARAMETER :: TERNARY_REACTIONS = .FALSE.\n\n INTEGER, PARAMETER :: THREE_REACT_START = 0\n\n INTEGER, PARAMETER :: THREE_REACT_STOP = -1\n\n LOGICAL, PARAMETER :: NULL_REACTIONS = .FALSE.\n\n INTEGER, PARAMETER :: ZERO_REACT_START = 0\n\n INTEGER, PARAMETER :: ZERO_REACT_STOP = -1\n\n INTEGER, PARAMETER :: NSUNLIGHT_RXNS = 42\n\n INTEGER, PARAMETER :: NTHERMAL_RXNS = 489\n\n INTEGER, PARAMETER :: KUNITS = 2\n\n INTEGER :: IRXXN\n\n INTEGER, PARAMETER :: NMPHOT = 41\n INTEGER :: IPH( NMPHOT,3 )\n\n DATA ( IPH( IRXXN,1 ), IRXXN = 1, NMPHOT ) / & \n & 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, & \n & 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, & \n & 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, & \n & 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, & \n & 396/\n\n DATA ( IPH( IRXXN,2 ), IRXXN = 1, NMPHOT ) / & \n & 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, & \n & 11, 12, 13, 14, 15, 16, 13, 13, 17, 18, & \n & 19, 20, 21, 22, 23, 24, 25, 25, 25, 26, & \n & 27, 27, 27, 27, 28, 29, 30, 31, 29, 29, & \n & 32/\n\n DATA ( IPH( IRXXN,3 ), IRXXN = 1, NMPHOT ) / & \n & 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, & \n & 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, & \n & 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, & \n & 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, & \n & 41/\n\n REAL( 8 ) :: RTDAT( 3,NRXNS )\n\n INTEGER, PARAMETER :: NFALLOFF = 18\n REAL( 8 ) :: RFDAT( 5,NFALLOFF )\n\n INTEGER :: KTYPE( NRXNS )\n\n DATA ( KTYPE( IRXXN ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 3, 3, 3, 3, 2, 3, 3, 3, 3, 3, & ! 4 \n & 3, 9, 9, 3, 10, 10, 3, 9, 3, 3, & ! 5 \n & 3, 10, 10, 8, 1, 1, 3, 3, 3, 10, & ! 6 \n & 5, 1, 10, 5, 3, 10, 9, 3, 3, 3, & ! 7 \n & 3, 10, 3, 3, 10, 3, 3, 1, 1, 3, & ! 8 \n & 3, 3, 3, 3, 3, 3, 3, 3, 3, 1, & ! 9 \n & 1, 1, 3, 3, 3, 1, 3, 3, 3, 4, & ! O \n & 3, 3, 1, 3, 3, 3, 1, 3, 3, 3, & ! 1 \n & 1, 3, 3, 3, 3, 3, 3, 3, 1, 3, & ! 2 \n & 3, 3, 3, 1, 1, 3, 3, 1, 1, 1, & ! 3 \n & 3, 1, 8, 3, 3, 3, 3, 3, 1, 1, & ! 4 \n & 3, 3, 1, 1, 1, 1, 1, 4, 3, 3, & ! 5 \n & 3, 1, 3, 3, 3, 3, 1, 3, 3, 3, & ! 6 \n & 1, 1, 1, 3, 1, 1, 10, 5, 10, 5, & ! 7 \n & 3, 3, 3, 3, 1, 1, 1, 1, 1, 3, & ! 8 \n & 3, 3, 3, 3, 1, 3, 1, 3, 1, 3, & ! 9 \n & 1, 3, 3, 3, 3, 3, 1, 1, 3, 3, & ! O \n & 3, 3, 1, 1, 3, 3, 1, 1, 1, 3, & ! 1 \n & 1, 1, 1, 1, 3, 3, 3, 3, 3, 3, & ! 2 \n & 3, 3, 3, 3, 3, 3, 1, 3, 1, 3, & ! 3 \n & 1, 3, 1, 3, 3, 3, 3, 3, 3, 3, & ! 4 \n & 3, 3, 3, 3, 3, 1, 3, 3, 3, 3, & ! 5 \n & 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, & ! 6 \n & 3, 3, 3, 3, 1, 1, 1, 1, 1, 1, & ! 7 \n & 1, 1, 3, 3, 3, 3, 3, 3, 3, 1, & ! 8 \n & 3, 3, 3, 3, 3, 3, 3, 3, 1, 3, & ! 9 \n & 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, & ! O \n & 3, 3, 1, 3, 1, 3, 1, 3, 1, 3, & ! 1 \n & 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, & ! 2 \n & 3, 3, 3, 3, 3, 3, 3, 3, 1, 1, & ! 3 \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! 4 \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! 5 \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! 6 \n & 1, 3, 3, 3, 1, 3, 3, 1, 1, 1, & ! 7 \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 3, & ! 8 \n & 1, 1, 3, 1, 1, 0, 3, 1, 1, 1, & ! 9 \n & 1, 1, 3, 1, 1, 3, 3, 1, 1, 1, & ! O \n & 1, 1, 3, 3, 1, 1, 1, 3, 1, 3, & ! 1 \n & -1, -1, -1, -1, -1, -1, 12, -1, -1, -1, & ! 2 \n & -1, -1, 1, 1, 1, 1, 1, 1, 1, 3, & ! 3 \n & 3, 3, 3, 3, 3, 3, 1, 1, 1, 1, & ! 4 \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 3, & ! 5 \n & 1, 1, 1, 1, 1, 1, 1, 3, 3, 3, & ! 6 \n & 3, 3, 3, 3, 1, 1, 1, 1, 1, 1, & ! 7 \n & 1, 1, 1, 1, 1, 1, 1, 3, 1, 3, & ! 8 \n & 3, 1, 3, 3, 1, 3, 3, 1, 3, 3, & ! 9 \n & 1, 3, 3, 1, 3, 3, 1, 1, 1, 1, & ! O \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! 1 \n & 1, 1, 3, 1, 1, 1, 3, 3, 1, 1, & ! 2 \n & 1/ ! 3 \n\n INTEGER :: IRXBITS( NRXNS )\n\n DATA ( IRXBITS( IRXXN ), IRXXN = 1, NRXNS ) / & \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 1 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 2 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 3 \n & 0, 0, 0, 0, 20, 0, 16, 32, 8, 128, & ! 4 \n & 0, 0, 8, 0, 1, 1, 0, 0, 16, 0, & ! 5 \n & 0, 1, 1, 0, 0, 0, 0, 0, 0, 1, & ! 6 \n & 0, 8, 1, 0, 0, 1, 0, 64, 0, 0, & ! 7 \n & 0, 1, 0, 0, 1, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 1, 1, 1, 1, 1, 1, 2, 1, 1, 1, & ! 2 \n & 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0/ ! 3 \n\n INTEGER, PARAMETER :: NTERMS_JACOB = 35721\n\n INTEGER, PARAMETER :: NSTEPS_JACOB = 1062\n\n INTEGER :: IORDER( NRXNS )\n\n DATA ( IORDER( IRXXN ), IRXXN = 1, NRXNS ) / & \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! O \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! 1 \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! 2 \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! 3 \n & 2, 2, 2, 2, 3, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 3, 2, 2, 2, 2, 2, 3, 2, & ! 5 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 6 \n & 1, 2, 2, 1, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 9 \n & 1, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 1 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 2 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 1, 1, 2, 1, 2, 1, & ! 7 \n & 2, 1, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 9 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 1 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 2 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 9 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 1 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 2 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 1, 2, 2, 2, 2, & ! 9 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 1 \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 2, & ! 2 \n & 1, 1, 2, 2, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 1, 1, 1, 1, 1, 1, 1, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 9 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 1 \n & 2, 2, 2, 1, 1, 2, 2, 2, 2, 2, & ! 2 \n & 2/ ! 3 \n\n INTEGER, PARAMETER :: KTN1 = 206\n INTEGER :: KRX1( KTN1 )\n\n DATA ( KRX1( IRXXN ), IRXXN = 1, KTN1 ) / & \n & 65, 66, 72, 88, 89, 100, 101, 102, 106, 113, & ! O \n & 117, 121, 129, 134, 135, 138, 139, 140, 142, 149, & ! 1 \n & 150, 153, 154, 155, 156, 157, 162, 167, 171, 172, & ! 2 \n & 173, 175, 176, 185, 186, 187, 188, 189, 195, 197, & ! 3 \n & 199, 201, 207, 208, 213, 214, 217, 218, 219, 221, & ! 4 \n & 222, 223, 224, 237, 239, 241, 243, 256, 275, 276, & ! 5 \n & 277, 278, 279, 280, 281, 282, 290, 299, 313, 315, & ! 6 \n & 317, 319, 339, 340, 341, 342, 343, 344, 345, 346, & ! 7 \n & 347, 348, 349, 350, 351, 352, 353, 354, 355, 356, & ! 8 \n & 357, 358, 359, 360, 361, 362, 363, 364, 365, 366, & ! 9 \n & 367, 368, 369, 370, 371, 375, 378, 379, 380, 381, & ! O \n & 382, 383, 384, 385, 386, 387, 388, 389, 391, 392, & ! 1 \n & 394, 395, 398, 399, 400, 401, 402, 404, 405, 408, & ! 2 \n & 409, 410, 411, 412, 415, 416, 417, 419, 433, 434, & ! 3 \n & 435, 436, 437, 438, 439, 447, 448, 449, 450, 451, & ! 4 \n & 452, 453, 454, 455, 456, 457, 458, 459, 461, 462, & ! 5 \n & 463, 464, 465, 466, 467, 475, 476, 477, 478, 479, & ! 6 \n & 480, 481, 482, 483, 484, 485, 486, 487, 489, 492, & ! 7 \n & 495, 498, 501, 504, 507, 508, 509, 510, 511, 512, & ! 8 \n & 513, 514, 515, 516, 517, 518, 519, 520, 521, 522, & ! 9 \n & 524, 525, 526, 529, 530, 531/ ! O \n\n INTEGER, PARAMETER :: KTN2 = 1\n INTEGER :: KRX2( KTN2 )\n\n DATA ( KRX2( IRXXN ), IRXXN = 1, KTN2 ) / & \n & 45/\n\n INTEGER, PARAMETER :: KTN3 = 248\n INTEGER :: KRX3( KTN3 )\n\n DATA ( KRX3( IRXXN ), IRXXN = 1, KTN3 ) / & \n & 41, 42, 43, 44, 46, 47, 48, 49, 50, 51, & ! O \n & 54, 57, 59, 60, 61, 67, 68, 69, 75, 78, & ! 1 \n & 79, 80, 81, 83, 84, 86, 87, 90, 91, 92, & ! 2 \n & 93, 94, 95, 96, 97, 98, 99, 103, 104, 105, & ! 3 \n & 107, 108, 109, 111, 112, 114, 115, 116, 118, 119, & ! 4 \n & 120, 122, 123, 124, 125, 126, 127, 128, 130, 131, & ! 5 \n & 132, 133, 136, 137, 141, 144, 145, 146, 147, 148, & ! 6 \n & 151, 152, 159, 160, 161, 163, 164, 165, 166, 168, & ! 7 \n & 169, 170, 174, 181, 182, 183, 184, 190, 191, 192, & ! 8 \n & 193, 194, 196, 198, 200, 202, 203, 204, 205, 206, & ! 9 \n & 209, 210, 211, 212, 215, 216, 220, 225, 226, 227, & ! O \n & 228, 229, 230, 231, 232, 233, 234, 235, 236, 238, & ! 1 \n & 240, 242, 244, 245, 246, 247, 248, 249, 250, 251, & ! 2 \n & 252, 253, 254, 255, 257, 258, 259, 260, 261, 262, & ! 3 \n & 263, 264, 265, 266, 267, 268, 269, 270, 271, 272, & ! 4 \n & 273, 274, 283, 284, 285, 286, 287, 288, 289, 291, & ! 5 \n & 292, 293, 294, 295, 296, 297, 298, 300, 301, 302, & ! 6 \n & 303, 304, 305, 306, 307, 308, 309, 310, 311, 312, & ! 7 \n & 314, 316, 318, 320, 321, 322, 323, 324, 325, 326, & ! 8 \n & 327, 328, 329, 330, 331, 332, 333, 334, 335, 336, & ! 9 \n & 337, 338, 372, 373, 374, 376, 377, 390, 393, 397, & ! O \n & 403, 406, 407, 413, 414, 418, 420, 440, 441, 442, & ! 1 \n & 443, 444, 445, 446, 460, 468, 469, 470, 471, 472, & ! 2 \n & 473, 474, 488, 490, 491, 493, 494, 496, 497, 499, & ! 3 \n & 500, 502, 503, 505, 506, 523, 527, 528/ ! 4 \n\n INTEGER, PARAMETER :: KTN4 = 2\n INTEGER :: KRX4( KTN4 )\n\n DATA ( KRX4( IRXXN ), IRXXN = 1, KTN4 ) / & \n & 110, 158/\n\n INTEGER, PARAMETER :: KTN5 = 4\n INTEGER :: KRX5( KTN5 )\n\n DATA ( KRX5( IRXXN ), IRXXN = 1, KTN5 ) / & \n & 71, 74, 178, 180/\n\n INTEGER, PARAMETER :: KTN6 = 0\n INTEGER :: KRX6( 1 )\n\n DATA KRX6( 1 ) / 0 /\n\n INTEGER, PARAMETER :: KTN7 = 0\n INTEGER :: KRX7( 1 )\n\n DATA KRX7( 1 ) / 0 /\n\n INTEGER, PARAMETER :: NWM = 1\n INTEGER :: NRXWM( NWM )\n\n DATA ( NRXWM( IRXXN ), IRXXN = 1, NWM ) / & \n & 45/\n REAL( 8 ), PARAMETER :: ATM_AIR = 1.00000D+06\n\n INTEGER, PARAMETER :: NWW = 3\n INTEGER :: NRXWW( NWW )\n\n DATA ( NRXWW( IRXXN ), IRXXN = 1, NWW ) / & \n & 49, 53, 72/\n\n INTEGER, PARAMETER :: NWO2 = 3\n INTEGER :: NRXWO2( NWO2 )\n\n DATA ( NRXWO2( IRXXN ), IRXXN = 1, NWO2 ) / & \n & 45, 47, 59/\n REAL( 8 ), PARAMETER :: ATM_O2 = 2.09500D+05\n\n INTEGER, PARAMETER :: NWN2 = 1\n INTEGER :: NRXWN2( NWN2 )\n\n DATA ( NRXWN2( IRXXN ), IRXXN = 1, NWN2 ) / & \n & 48/\n REAL( 8 ), PARAMETER :: ATM_N2 = 7.80800D+05\n\n INTEGER, PARAMETER :: NWCH4 = 1\n INTEGER :: NRXWCH4( NWCH4 )\n\n DATA ( NRXWCH4( IRXXN ), IRXXN = 1, NWCH4 ) / & \n & 78/\n REAL( 8 ), PARAMETER :: ATM_CH4 = 1.85000D+00\n\n INTEGER, PARAMETER :: NWH2 = 1\n INTEGER :: NRXWH2( NWH2 )\n\n DATA ( NRXWH2( IRXXN ), IRXXN = 1, NWH2 ) / & \n & 50/\n REAL( 8 ), PARAMETER :: ATM_H2 = 5.60000D-01\n\n INTEGER, PARAMETER :: MXPRD = 28\n INTEGER :: IRR( NRXNS,MXPRD+3 )\n\n DATA ( IRR( IRXXN, 1 ), IRXXN = 1, NRXNS ) / & \n & 1, 1, 4, 6, 8, 8, 9, 10, 11, 13, & ! O \n & 13, 15, 17, 19, 19, 21, 23, 25, 26, 22, & ! 1 \n & 27, 28, 31, 32, 32, 32, 33, 34, 35, 36, & ! 2 \n & 38, 39, 40, 41, 42, 43, 44, 44, 45, 46, & ! 3 \n & 1, 1, 1, 1, 2, 2, 3, 3, 3, 5, & ! 4 \n & 5, 12, 12, 4, 7, 7, 7, 7, 7, 9, & ! 5 \n & 6, 6, 6, 10, 8, 8, 8, 8, 8, 8, & ! 6 \n & 47, 47, 6, 11, 11, 48, 14, 5, 51, 52, & ! 7 \n & 55, 57, 59, 61, 63, 65, 68, 71, 73, 75, & ! 8 \n & 75, 75, 78, 78, 79, 79, 77, 77, 76, 5, & ! 9 \n & 76, 81, 84, 87, 23, 25, 13, 15, 17, 19, & ! O \n & 26, 22, 27, 28, 31, 21, 32, 33, 34, 35, & ! 1 \n & 99, 36, 67, 70, 102, 104, 105, 83, 106, 38, & ! 2 \n & 39, 40, 41, 107, 64, 108, 42, 44, 110, 111, & ! 3 \n & 43, 45, 46, 57, 59, 61, 84, 87, 25, 45, & ! 4 \n & 28, 31, 21, 34, 35, 99, 103, 57, 59, 61, & ! 5 \n & 84, 87, 45, 13, 15, 17, 28, 21, 32, 33, & ! 6 \n & 67, 70, 102, 111, 90, 92, 20, 44, 91, 110, & ! 7 \n & 29, 111, 16, 18, 53, 56, 58, 60, 62, 66, & ! 8 \n & 69, 72, 74, 85, 86, 115, 116, 88, 89, 117, & ! 9 \n & 118, 90, 92, 20, 91, 93, 94, 95, 29, 96, & ! O \n & 97, 98, 100, 126, 101, 112, 109, 113, 114, 119, & ! 1 \n & 30, 127, 37, 103, 16, 18, 53, 56, 58, 60, & ! 2 \n & 62, 66, 69, 72, 74, 85, 86, 115, 116, 88, & ! 3 \n & 89, 117, 118, 90, 92, 20, 91, 93, 94, 95, & ! 4 \n & 29, 96, 97, 98, 101, 37, 112, 109, 113, 114, & ! 5 \n & 119, 30, 16, 18, 53, 56, 58, 60, 62, 66, & ! 6 \n & 69, 72, 74, 78, 85, 86, 115, 116, 88, 89, & ! 7 \n & 117, 118, 20, 91, 93, 94, 95, 29, 96, 97, & ! 8 \n & 98, 100, 126, 101, 112, 109, 113, 114, 119, 30, & ! 9 \n & 18, 53, 56, 58, 60, 62, 66, 69, 72, 74, & ! O \n & 78, 85, 86, 115, 116, 88, 89, 117, 118, 20, & ! 1 \n & 91, 93, 94, 95, 29, 96, 97, 98, 100, 126, & ! 2 \n & 101, 112, 109, 113, 114, 119, 30, 91, 16, 18, & ! 3 \n & 53, 56, 58, 60, 62, 66, 69, 72, 74, 78, & ! 4 \n & 85, 88, 115, 117, 20, 91, 93, 94, 95, 29, & ! 5 \n & 96, 97, 98, 100, 126, 101, 112, 109, 113, 114, & ! 6 \n & 119, 113, 113, 114, 30, 30, 30, 86, 86, 86, & ! 7 \n & 89, 89, 89, 116, 116, 116, 118, 118, 118, 80, & ! 8 \n & 129, 130, 131, 131, 131, 131, 132, 133, 133, 133, & ! 9 \n & 133, 133, 132, 132, 134, 135, 135, 123, 134, 134, & ! O \n & 136, 137, 138, 138, 138, 137, 137, 140, 140, 140, & ! 1 \n & 32, 33, 47, 6, 12, 8, 1, 80, 144, 144, & ! 2 \n & 81, 82, 150, 152, 154, 156, 158, 160, 162, 151, & ! 3 \n & 153, 155, 157, 159, 161, 24, 151, 153, 155, 157, & ! 4 \n & 159, 161, 24, 151, 153, 155, 157, 159, 161, 24, & ! 5 \n & 163, 164, 165, 167, 169, 170, 172, 163, 164, 165, & ! 6 \n & 167, 169, 170, 172, 163, 164, 165, 167, 169, 170, & ! 7 \n & 172, 163, 164, 165, 167, 169, 170, 172, 173, 174, & ! 8 \n & 174, 174, 174, 174, 177, 178, 178, 178, 178, 178, & ! 9 \n & 179, 180, 180, 180, 180, 180, 181, 175, 139, 122, & ! O \n & 176, 171, 125, 141, 142, 168, 166, 124, 121, 182, & ! 1 \n & 183, 41, 184, 185, 187, 188, 189, 189, 189, 189, & ! 2 \n & 189/ ! 3 \n\n DATA ( IRR( IRXXN, 2 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 5, 12, 7, 6, 0, 1, 0, 0, 0, 0, & ! 4 \n & 12, 12, 12, 5, 2, 5, 12, 12, 7, 5, & ! 5 \n & 2, 2, 5, 5, 5, 12, 7, 6, 8, 6, & ! 6 \n & 0, 0, 12, 0, 5, 5, 5, 0, 5, 5, & ! 7 \n & 5, 5, 5, 5, 5, 5, 5, 5, 5, 1, & ! 8 \n & 8, 5, 12, 7, 5, 5, 12, 7, 5, 82, & ! 9 \n & 0, 5, 5, 5, 5, 5, 5, 5, 5, 5, & ! O \n & 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, & ! 1 \n & 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, & ! 2 \n & 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, & ! 3 \n & 5, 5, 5, 1, 1, 1, 1, 1, 1, 1, & ! 4 \n & 1, 1, 1, 1, 1, 1, 1, 8, 8, 8, & ! 5 \n & 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, & ! 6 \n & 8, 8, 8, 8, 0, 0, 6, 0, 6, 0, & ! 7 \n & 6, 0, 7, 7, 7, 7, 7, 7, 7, 7, & ! 8 \n & 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, & ! 9 \n & 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, & ! O \n & 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, & ! 1 \n & 7, 6, 6, 6, 12, 12, 12, 12, 12, 12, & ! 2 \n & 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, & ! 3 \n & 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, & ! 4 \n & 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, & ! 5 \n & 12, 12, 16, 16, 16, 16, 16, 16, 16, 16, & ! 6 \n & 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, & ! 7 \n & 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, & ! 8 \n & 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, & ! 9 \n & 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, & ! O \n & 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, & ! 1 \n & 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, & ! 2 \n & 20, 20, 20, 20, 20, 20, 20, 91, 8, 8, & ! 3 \n & 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, & ! 4 \n & 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, & ! 5 \n & 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, & ! 6 \n & 8, 113, 114, 114, 8, 91, 30, 85, 88, 78, & ! 7 \n & 85, 88, 78, 85, 88, 78, 85, 88, 78, 5, & ! 8 \n & 5, 5, 5, 1, 8, 0, 5, 7, 8, 12, & ! 9 \n & 16, 20, 1, 8, 5, 7, 12, 5, 1, 8, & ! O \n & 5, 8, 12, 7, 8, 1, 5, 12, 8, 7, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 146, & ! 2 \n & 0, 0, 5, 5, 5, 5, 5, 5, 5, 7, & ! 3 \n & 7, 7, 7, 7, 7, 7, 8, 8, 8, 8, & ! 4 \n & 8, 8, 8, 12, 12, 12, 12, 12, 12, 12, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 7, 7, 7, & ! 6 \n & 7, 7, 7, 7, 8, 8, 8, 8, 8, 8, & ! 7 \n & 8, 12, 12, 12, 12, 12, 12, 12, 5, 12, & ! 8 \n & 7, 8, 16, 20, 5, 12, 7, 8, 16, 20, & ! 9 \n & 5, 12, 7, 8, 16, 20, 5, 5, 5, 5, & ! O \n & 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, & ! 1 \n & 5, 5, 5, 0, 0, 5, 12, 7, 8, 16, & ! 2 \n & 20/ ! 3 \n\n DATA ( IRR( IRXXN, 3 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0/ ! 3 \n\n DATA ( IRR( IRXXN, 4 ), IRXXN = 1, NRXNS ) / & \n & 2, 3, 5, 2, 7, 2, 5, 5, 5, 14, & ! O \n & 12, 12, 12, 16, 16, 12, 12, 12, 16, 18, & ! 1 \n & 12, 5, 16, 14, 13, 12, 12, 12, 12, 37, & ! 2 \n & 5, 5, 5, 5, 5, 12, 20, 16, 6, 27, & ! 3 \n & 12, 5, 6, 8, 1, 0, 2, 2, 5, 12, & ! 4 \n & 0, 4, 4, 12, 6, 9, 6, 10, 6, 6, & ! 5 \n & 7, 8, 10, 8, 12, 5, 6, 7, 6, 47, & ! 6 \n & 6, 10, 11, 12, 6, 12, 12, 16, 18, 53, & ! 7 \n & 56, 58, 60, 62, 5, 66, 69, 72, 74, 5, & ! 8 \n & 6, 78, 79, 76, 78, 33, 5, 31, 5, 14, & ! 9 \n & 10, 28, 85, 88, 90, 92, 12, 20, 91, 93, & ! O \n & 94, 95, 12, 29, 97, 20, 12, 20, 12, 12, & ! 1 \n & 12, 100, 54, 54, 103, 12, 12, 12, 12, 5, & ! 2 \n & 5, 5, 5, 29, 12, 16, 5, 30, 30, 6, & ! 3 \n & 53, 46, 27, 5, 5, 5, 5, 5, 5, 46, & ! 4 \n & 5, 5, 5, 5, 5, 5, 112, 113, 113, 113, & ! 5 \n & 115, 117, 46, 12, 20, 91, 13, 12, 12, 20, & ! 6 \n & 54, 54, 103, 29, 120, 120, 44, 20, 110, 91, & ! 7 \n & 111, 29, 12, 12, 12, 12, 12, 12, 12, 43, & ! 8 \n & 43, 43, 43, 45, 5, 6, 6, 45, 5, 45, & ! 9 \n & 6, 45, 45, 16, 18, 20, 12, 12, 16, 6, & ! O \n & 12, 12, 126, 127, 12, 103, 6, 6, 6, 6, & ! 1 \n & 6, 43, 43, 43, 38, 39, 39, 39, 39, 39, & ! 2 \n & 39, 39, 39, 39, 39, 19, 120, 45, 120, 40, & ! 3 \n & 120, 45, 120, 40, 40, 5, 5, 5, 39, 39, & ! 4 \n & 107, 107, 39, 39, 39, 70, 39, 39, 43, 43, & ! 5 \n & 39, 39, 12, 12, 12, 12, 12, 12, 12, 13, & ! 6 \n & 13, 13, 13, 12, 13, 12, 45, 12, 104, 12, & ! 7 \n & 45, 12, 12, 12, 12, 12, 12, 12, 6, 12, & ! 8 \n & 12, 12, 12, 12, 12, 13, 12, 12, 12, 12, & ! 9 \n & 12, 12, 12, 12, 12, 12, 16, 16, 16, 16, & ! O \n & 12, 23, 5, 6, 6, 25, 5, 16, 16, 16, & ! 1 \n & 16, 16, 12, 12, 108, 6, 12, 12, 16, 16, & ! 2 \n & 12, 12, 16, 12, 16, 12, 16, 18, 12, 12, & ! 3 \n & 12, 12, 12, 17, 12, 6, 6, 6, 6, 12, & ! 4 \n & 6, 12, 6, 6, 16, 18, 20, 12, 12, 13, & ! 5 \n & 6, 12, 12, 126, 127, 12, 6, 6, 12, 6, & ! 6 \n & 6, 12, 12, 6, 6, 18, 0, 120, 120, 120, & ! 7 \n & 120, 120, 120, 120, 120, 120, 120, 120, 120, 5, & ! 8 \n & 18, 18, 29, 14, 13, 14, 133, 12, 12, 39, & ! 9 \n & 104, 16, 131, 113, 34, 43, 39, 22, 5, 6, & ! O \n & 27, 138, 125, 124, 124, 124, 140, 141, 124, 142, & ! 1 \n & 143, 143, 10, 9, 0, 10, 0, 144, 145, 147, & ! 2 \n & 148, 149, 151, 153, 155, 157, 159, 161, 24, 163, & ! 3 \n & 164, 165, 167, 169, 170, 172, 163, 164, 165, 167, & ! 4 \n & 169, 170, 172, 124, 166, 168, 141, 171, 139, 39, & ! 5 \n & 12, 12, 12, 12, 12, 12, 12, 166, 142, 141, & ! 6 \n & 171, 139, 139, 43, 6, 6, 6, 6, 6, 6, & ! 7 \n & 6, 142, 141, 171, 139, 139, 139, 166, 174, 121, & ! 8 \n & 121, 6, 13, 16, 178, 124, 124, 6, 13, 16, & ! 9 \n & 180, 124, 121, 6, 13, 16, 5, 5, 5, 5, & ! O \n & 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, & ! 1 \n & 5, 5, 16, 186, 186, 189, 124, 6, 6, 12, & ! 2 \n & 12/ ! 3 \n\n DATA ( IRR( IRXXN, 5 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 7, 0, 6, 7, 6, 12, 0, & ! O \n & 14, 16, 18, 20, 14, 20, 24, 24, 18, 20, & ! 1 \n & 20, 12, 29, 0, 14, 14, 20, 20, 20, 12, & ! 2 \n & 12, 12, 12, 12, 16, 6, 6, 8, 22, 6, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 5, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 6, 6, 0, 6, 0, 0, & ! 6 \n & 8, 0, 0, 6, 0, 49, 0, 0, 0, 54, & ! 7 \n & 54, 0, 0, 0, 12, 67, 70, 70, 70, 12, & ! 8 \n & 76, 13, 12, 13, 0, 32, 82, 82, 82, 6, & ! 9 \n & 83, 31, 86, 89, 91, 91, 14, 0, 0, 0, & ! O \n & 0, 0, 33, 96, 0, 98, 14, 14, 14, 14, & ! 1 \n & 29, 0, 12, 12, 0, 13, 15, 17, 17, 16, & ! 2 \n & 53, 24, 24, 0, 0, 109, 20, 8, 8, 27, & ! 3 \n & 6, 6, 8, 12, 12, 12, 90, 25, 17, 6, & ! 4 \n & 12, 12, 12, 12, 12, 12, 0, 114, 114, 114, & ! 5 \n & 116, 118, 6, 14, 10, 10, 29, 30, 14, 14, & ! 6 \n & 37, 37, 10, 6, 0, 0, 0, 6, 0, 6, & ! 7 \n & 0, 6, 6, 6, 16, 16, 6, 6, 6, 121, & ! 8 \n & 121, 124, 124, 12, 6, 45, 5, 6, 6, 43, & ! 9 \n & 5, 120, 6, 6, 6, 6, 6, 20, 20, 12, & ! O \n & 20, 6, 6, 6, 6, 6, 32, 12, 13, 32, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 122, 122, 41, 41, 25, 0, 23, 0, 25, & ! 3 \n & 0, 5, 0, 5, 5, 16, 18, 20, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 13, 13, 16, 16, 13, 13, 13, 12, & ! 6 \n & 12, 12, 12, 13, 25, 13, 13, 6, 25, 13, & ! 7 \n & 13, 13, 16, 16, 20, 13, 13, 20, 12, 20, & ! 8 \n & 14, 126, 127, 13, 103, 12, 13, 6, 6, 13, & ! 9 \n & 16, 16, 16, 16, 16, 16, 12, 12, 12, 12, & ! O \n & 16, 17, 16, 23, 16, 13, 16, 6, 6, 0, & ! 1 \n & 18, 20, 16, 16, 16, 12, 16, 16, 126, 127, & ! 2 \n & 16, 16, 32, 16, 6, 16, 0, 0, 13, 6, & ! 3 \n & 16, 16, 6, 13, 17, 12, 12, 12, 12, 6, & ! 4 \n & 12, 6, 23, 25, 6, 6, 6, 6, 6, 20, & ! 5 \n & 12, 20, 6, 6, 6, 6, 103, 32, 6, 13, & ! 6 \n & 32, 43, 6, 13, 0, 0, 0, 83, 83, 83, & ! 7 \n & 83, 83, 83, 83, 83, 83, 83, 83, 83, 0, & ! 8 \n & 54, 54, 96, 12, 29, 12, 21, 6, 6, 0, & ! 9 \n & 13, 108, 14, 114, 12, 6, 123, 32, 17, 34, & ! O \n & 17, 0, 0, 6, 6, 139, 0, 0, 0, 124, & ! 1 \n & 0, 0, 0, 10, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 10, 0, 0, 0, 0, 0, 0, 0, 121, & ! 3 \n & 124, 166, 168, 141, 171, 43, 6, 6, 6, 6, & ! 4 \n & 6, 6, 6, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 124, 166, 168, 141, 171, 139, 121, 6, 6, 6, & ! 6 \n & 6, 6, 6, 6, 124, 166, 168, 141, 171, 139, & ! 7 \n & 22, 0, 0, 0, 0, 0, 0, 0, 12, 142, & ! 8 \n & 166, 12, 12, 12, 12, 141, 142, 12, 12, 12, & ! 9 \n & 12, 142, 166, 12, 12, 12, 181, 181, 181, 181, & ! O \n & 181, 181, 181, 181, 181, 181, 181, 181, 181, 175, & ! 1 \n & 122, 181, 0, 10, 10, 0, 0, 12, 12, 13, & ! 2 \n & 13/ ! 3 \n\n DATA ( IRR( IRXXN, 6 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 6, 0, & ! O \n & 0, 14, 14, 0, 0, 14, 14, 14, 20, 14, & ! 1 \n & 13, 20, 14, 0, 0, 0, 14, 30, 30, 14, & ! 2 \n & 13, 17, 17, 17, 0, 17, 0, 0, 21, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 10, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 50, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 14, 12, 12, 12, 12, 16, & ! 8 \n & 13, 28, 5, 12, 0, 31, 81, 76, 80, 12, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 17, 26, & ! 1 \n & 14, 0, 101, 101, 0, 0, 0, 15, 0, 13, & ! 2 \n & 30, 30, 30, 0, 0, 0, 30, 13, 13, 0, & ! 3 \n & 0, 23, 0, 14, 16, 16, 4, 20, 13, 23, & ! 4 \n & 20, 20, 16, 91, 91, 14, 0, 0, 0, 0, & ! 5 \n & 0, 0, 23, 10, 0, 0, 30, 14, 10, 10, & ! 6 \n & 101, 101, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 13, 15, 18, 18, 13, 13, 15, 122, & ! 8 \n & 122, 125, 125, 6, 120, 43, 120, 25, 120, 6, & ! 9 \n & 120, 6, 12, 0, 0, 13, 13, 30, 6, 13, & ! O \n & 30, 14, 0, 0, 27, 0, 12, 43, 17, 39, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 125, 125, 13, 0, 6, 0, 5, & ! 3 \n & 0, 25, 0, 120, 12, 108, 108, 13, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 104, 15, 18, 18, 17, 17, 17, 104, & ! 6 \n & 104, 104, 104, 28, 23, 104, 104, 104, 13, 104, & ! 7 \n & 104, 6, 13, 13, 13, 34, 34, 14, 13, 30, & ! 8 \n & 13, 13, 13, 27, 13, 32, 43, 13, 13, 0, & ! 9 \n & 15, 18, 18, 13, 13, 17, 108, 108, 108, 108, & ! O \n & 13, 40, 108, 16, 108, 12, 108, 25, 108, 0, & ! 1 \n & 0, 13, 13, 34, 20, 13, 20, 14, 0, 0, & ! 2 \n & 27, 103, 0, 43, 13, 6, 0, 0, 6, 15, & ! 3 \n & 30, 18, 13, 12, 22, 36, 36, 36, 36, 13, & ! 4 \n & 23, 25, 45, 45, 0, 0, 13, 13, 34, 14, & ! 5 \n & 13, 30, 14, 0, 0, 27, 0, 12, 43, 17, & ! 6 \n & 39, 0, 13, 17, 0, 0, 0, 23, 25, 13, & ! 7 \n & 23, 25, 13, 23, 25, 13, 23, 25, 13, 0, & ! 8 \n & 0, 0, 0, 5, 30, 57, 12, 131, 131, 0, & ! 9 \n & 12, 12, 12, 131, 135, 123, 5, 12, 0, 99, & ! O \n & 12, 0, 0, 0, 0, 0, 0, 0, 0, 6, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 6, & ! 3 \n & 6, 6, 6, 6, 6, 6, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 124, 166, 168, & ! 6 \n & 141, 171, 12, 22, 12, 12, 12, 12, 12, 12, & ! 7 \n & 12, 0, 0, 0, 0, 0, 0, 0, 121, 175, & ! 8 \n & 176, 36, 104, 108, 124, 175, 175, 121, 104, 108, & ! 9 \n & 124, 181, 181, 121, 104, 108, 34, 175, 175, 175, & ! O \n & 175, 175, 175, 175, 175, 175, 175, 175, 175, 139, & ! 1 \n & 176, 175, 0, 0, 0, 0, 0, 13, 13, 36, & ! 2 \n & 36/ ! 3 \n\n DATA ( IRR( IRXXN, 7 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 8, 0, & ! O \n & 0, 0, 0, 0, 0, 13, 0, 0, 14, 0, & ! 1 \n & 0, 29, 21, 0, 0, 0, 0, 14, 14, 0, & ! 2 \n & 0, 0, 0, 0, 0, 22, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 32, 0, 0, 0, 0, 20, & ! 8 \n & 77, 33, 0, 6, 0, 80, 0, 13, 6, 13, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 22, 32, & ! 1 \n & 32, 0, 37, 37, 0, 0, 0, 0, 0, 0, & ! 2 \n & 17, 17, 17, 0, 0, 0, 13, 0, 0, 0, & ! 3 \n & 0, 22, 0, 13, 18, 18, 23, 13, 38, 22, & ! 4 \n & 14, 30, 20, 30, 30, 32, 0, 0, 0, 0, & ! 5 \n & 0, 0, 22, 0, 0, 0, 33, 13, 0, 0, & ! 6 \n & 119, 119, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 30, 30, 17, 15, 17, 6, & ! 8 \n & 6, 6, 6, 23, 0, 23, 0, 12, 0, 25, & ! 9 \n & 0, 0, 13, 0, 0, 0, 34, 6, 14, 27, & ! O \n & 6, 13, 0, 0, 32, 0, 0, 0, 22, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 40, 0, 5, 0, 12, & ! 3 \n & 0, 6, 0, 0, 13, 42, 42, 39, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 104, 30, 30, 104, 22, 22, 36, & ! 6 \n & 36, 36, 36, 31, 17, 120, 12, 13, 12, 120, & ! 7 \n & 12, 104, 108, 108, 104, 104, 104, 13, 27, 13, & ! 8 \n & 17, 0, 0, 32, 0, 0, 0, 17, 32, 0, & ! 9 \n & 108, 30, 30, 17, 17, 22, 36, 36, 36, 36, & ! O \n & 28, 19, 120, 45, 120, 16, 120, 45, 120, 0, & ! 1 \n & 0, 108, 34, 108, 14, 27, 30, 13, 0, 0, & ! 2 \n & 32, 0, 0, 0, 17, 32, 0, 0, 0, 0, & ! 3 \n & 18, 30, 17, 6, 6, 32, 32, 32, 32, 28, & ! 4 \n & 17, 13, 17, 12, 0, 0, 0, 34, 0, 6, & ! 5 \n & 27, 6, 13, 0, 0, 32, 0, 0, 0, 22, & ! 6 \n & 0, 0, 17, 22, 0, 0, 0, 5, 5, 31, & ! 7 \n & 5, 5, 31, 6, 6, 31, 6, 6, 31, 0, & ! 8 \n & 0, 0, 0, 13, 33, 20, 0, 13, 13, 0, & ! 9 \n & 131, 131, 5, 0, 0, 12, 12, 16, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 12, 12, 12, & ! 6 \n & 12, 12, 0, 12, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 6, 32, 36, 36, 0, 0, 6, 32, 121, 121, & ! 9 \n & 0, 0, 6, 32, 121, 121, 26, 122, 139, 34, & ! O \n & 139, 139, 122, 139, 139, 139, 139, 139, 122, 122, & ! 1 \n & 125, 122, 0, 0, 0, 0, 0, 36, 36, 104, & ! 2 \n & 16/ ! 3 \n\n DATA ( IRR( IRXXN, 8 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 17, 0, 0, 0, 0, & ! 1 \n & 0, 30, 0, 0, 0, 0, 0, 32, 32, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 64, 0, 0, 0, 0, 29, & ! 8 \n & 31, 0, 0, 28, 0, 20, 0, 6, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 32, 33, & ! 1 \n & 33, 0, 102, 102, 0, 0, 0, 0, 0, 0, & ! 2 \n & 22, 22, 22, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 13, 0, 64, 53, 53, 108, 91, 4, 13, & ! 4 \n & 33, 14, 30, 14, 14, 34, 0, 0, 0, 0, & ! 5 \n & 0, 0, 13, 0, 0, 0, 10, 17, 0, 0, & ! 6 \n & 10, 10, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 6, 6, 0, 17, 19, 12, & ! 8 \n & 12, 12, 12, 17, 0, 17, 0, 13, 0, 12, & ! 9 \n & 0, 0, 42, 0, 0, 0, 0, 17, 13, 0, & ! O \n & 13, 17, 0, 0, 39, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 12, 0, 17, 0, 13, & ! 3 \n & 0, 12, 0, 0, 42, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 105, 13, 13, 106, 104, 104, 32, & ! 6 \n & 32, 32, 32, 104, 40, 0, 6, 120, 0, 0, & ! 7 \n & 25, 120, 0, 0, 83, 83, 83, 108, 104, 17, & ! 8 \n & 22, 0, 0, 39, 0, 0, 0, 22, 39, 0, & ! 9 \n & 0, 13, 13, 108, 22, 108, 32, 32, 32, 32, & ! O \n & 31, 25, 0, 17, 0, 0, 0, 12, 0, 0, & ! 1 \n & 0, 0, 108, 0, 13, 16, 13, 17, 0, 0, & ! 2 \n & 39, 0, 0, 0, 22, 39, 0, 0, 0, 0, & ! 3 \n & 6, 6, 0, 26, 19, 123, 33, 33, 33, 31, & ! 4 \n & 19, 0, 22, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 13, 17, 0, 0, 39, 0, 0, 0, 0, & ! 6 \n & 0, 0, 22, 43, 0, 0, 0, 12, 12, 5, & ! 7 \n & 12, 12, 5, 12, 12, 6, 12, 12, 6, 0, & ! 8 \n & 0, 0, 0, 32, 10, 5, 0, 134, 134, 0, & ! 9 \n & 59, 13, 13, 0, 0, 16, 16, 14, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 12, 33, 32, 32, 0, 0, 12, 33, 32, 32, & ! 9 \n & 0, 0, 12, 33, 32, 32, 15, 176, 122, 26, & ! O \n & 122, 122, 176, 122, 122, 122, 122, 122, 176, 176, & ! 1 \n & 142, 125, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 108/ ! 3 \n\n DATA ( IRR( IRXXN, 9 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 22, 0, 0, 0, 0, & ! 1 \n & 0, 14, 0, 0, 0, 0, 0, 33, 33, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 4, & ! 8 \n & 28, 0, 0, 31, 0, 28, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 33, 39, & ! 1 \n & 39, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 17, 0, 0, 56, 20, 12, 4, 64, 17, & ! 4 \n & 64, 13, 14, 13, 13, 64, 0, 0, 0, 0, & ! 5 \n & 0, 0, 17, 0, 0, 0, 6, 43, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 15, 13, 0, 19, 22, 36, & ! 8 \n & 36, 36, 36, 19, 0, 22, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 33, 0, 0, & ! O \n & 17, 32, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 23, 0, 22, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 17, 17, 0, 83, 83, 123, & ! 6 \n & 33, 33, 33, 83, 104, 0, 23, 0, 0, 0, & ! 7 \n & 6, 0, 0, 0, 108, 0, 0, 16, 83, 33, & ! 8 \n & 32, 0, 0, 0, 0, 0, 0, 104, 43, 0, & ! 9 \n & 0, 17, 17, 0, 108, 0, 123, 33, 33, 33, & ! O \n & 108, 13, 0, 22, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 108, 17, 22, 0, 0, & ! 2 \n & 0, 0, 0, 0, 108, 43, 0, 0, 0, 0, & ! 3 \n & 15, 13, 0, 15, 15, 35, 123, 123, 123, 32, & ! 4 \n & 25, 0, 13, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 17, 22, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 43, 0, 0, 0, 0, 128, 128, 12, & ! 7 \n & 128, 128, 12, 128, 128, 12, 128, 128, 12, 0, & ! 8 \n & 0, 0, 0, 0, 6, 13, 0, 43, 0, 0, & ! 9 \n & 31, 31, 57, 0, 0, 0, 0, 54, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 36, 123, 33, 33, 0, 0, 121, 123, 33, 33, & ! 9 \n & 0, 0, 32, 123, 33, 33, 17, 125, 176, 22, & ! O \n & 176, 176, 125, 176, 176, 176, 176, 176, 125, 125, & ! 1 \n & 168, 34, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0/ ! 3 \n\n DATA ( IRR( IRXXN, 10 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 13, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 14, & ! 8 \n & 0, 0, 0, 0, 0, 5, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 4, 14, 14, 108, 0, 0, & ! 4 \n & 0, 33, 13, 32, 32, 108, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 17, 15, 0, 26, 27, 32, & ! 8 \n & 32, 32, 32, 25, 0, 13, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 33, 22, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 5, 0, 13, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 22, 22, 0, 0, 0, 35, & ! 6 \n & 123, 123, 123, 17, 22, 0, 22, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 104, 0, 104, & ! 8 \n & 33, 0, 0, 0, 0, 0, 0, 83, 0, 0, & ! 9 \n & 0, 22, 22, 0, 0, 0, 35, 123, 123, 123, & ! O \n & 0, 12, 0, 13, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 33, 32, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 17, 17, 0, 19, 27, 99, 34, 35, 35, 27, & ! 4 \n & 13, 0, 12, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 33, 32, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 128, & ! 7 \n & 0, 0, 128, 0, 0, 128, 0, 0, 128, 0, & ! 8 \n & 0, 0, 0, 0, 0, 16, 0, 0, 0, 0, & ! 9 \n & 134, 134, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 32, 35, 123, 123, 0, 0, 32, 35, 123, 123, & ! 9 \n & 0, 0, 33, 35, 123, 123, 16, 142, 171, 15, & ! O \n & 125, 171, 166, 171, 125, 171, 171, 125, 142, 141, & ! 1 \n & 166, 26, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0/ ! 3 \n\n DATA ( IRR( IRXXN, 11 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 13, & ! 8 \n & 0, 0, 0, 0, 0, 12, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 14, 4, 13, 0, 0, 0, & ! 4 \n & 0, 64, 15, 33, 33, 42, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 19, 17, 0, 43, 43, 123, & ! 8 \n & 33, 33, 33, 13, 0, 12, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 33, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 22, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 32, 104, 0, 0, 0, 99, & ! 6 \n & 34, 35, 35, 32, 19, 0, 17, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 83, 0, 83, & ! 8 \n & 104, 0, 0, 0, 0, 0, 0, 43, 0, 0, & ! 9 \n & 0, 32, 108, 0, 0, 0, 99, 34, 35, 35, & ! O \n & 0, 16, 0, 12, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 108, 33, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 26, 22, 0, 0, 0, 0, 0, 0, 0, 17, & ! 4 \n & 40, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 33, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 21, 21, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 33, 0, 35, 35, 0, 0, 33, 0, 35, 35, & ! 9 \n & 0, 0, 123, 0, 35, 35, 18, 166, 125, 17, & ! O \n & 141, 125, 124, 125, 141, 125, 125, 141, 168, 142, & ! 1 \n & 124, 15, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0/ ! 3 \n\n DATA ( IRR( IRXXN, 12 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 28, & ! 8 \n & 0, 0, 0, 0, 0, 81, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 51, 51, 91, 0, 0, 0, & ! 4 \n & 0, 108, 22, 39, 34, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 26, 26, 0, 0, 0, 35, & ! 8 \n & 123, 123, 123, 40, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 104, 83, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 27, 12, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 108, & ! 8 \n & 83, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 108, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 22, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 108, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 19, 26, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 22, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 123, 0, 0, 0, 0, 0, 123, 0, 0, 0, & ! 9 \n & 0, 0, 35, 0, 0, 0, 53, 124, 141, 16, & ! O \n & 142, 141, 121, 141, 142, 141, 141, 142, 166, 168, & ! 1 \n & 121, 17, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0/ ! 3 \n\n DATA ( IRR( IRXXN, 13 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 31, & ! 8 \n & 0, 0, 0, 0, 0, 14, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 52, 52, 22, 0, 0, 0, & ! 4 \n & 0, 17, 32, 0, 39, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 43, 19, 0, 0, 0, 99, & ! 8 \n & 34, 35, 35, 22, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 83, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 19, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 35, 0, 0, 0, 0, 0, 35, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 94, 121, 142, 18, & ! O \n & 168, 142, 39, 142, 166, 142, 142, 168, 124, 166, & ! 1 \n & 182, 16, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0/ ! 3 \n\n DATA ( IRR( IRXXN, 14 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 64, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 55, 13, 52, 0, 0, 0, & ! 4 \n & 0, 0, 33, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 22, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 15, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 41, 168, 53, & ! O \n & 166, 168, 34, 168, 124, 168, 168, 166, 121, 124, & ! 1 \n & 183, 18, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0/ ! 3 \n\n DATA ( IRR( IRXXN, 15 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 59, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 65, 15, 38, 0, 0, 0, & ! 4 \n & 0, 0, 64, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 27, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 27, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 39, 166, 94, & ! O \n & 124, 166, 26, 166, 121, 166, 166, 124, 182, 121, & ! 1 \n & 41, 53, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0/ ! 3 \n\n DATA ( IRR( IRXXN, 16 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 13, 17, 64, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 43, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 34, 124, 56, & ! O \n & 121, 124, 22, 124, 182, 124, 124, 121, 183, 182, & ! 1 \n & 39, 94, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0/ ! 3 \n\n DATA ( IRR( IRXXN, 17 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 15, 19, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 26, 121, 0, & ! O \n & 182, 121, 15, 121, 41, 121, 121, 182, 41, 183, & ! 1 \n & 34, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0/ ! 3 \n\n DATA ( IRR( IRXXN, 18 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 17, 22, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 22, 182, 0, & ! O \n & 39, 182, 17, 182, 39, 182, 182, 183, 39, 41, & ! 1 \n & 27, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0/ ! 3 \n\n DATA ( IRR( IRXXN, 19 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 19, 27, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 15, 183, 0, & ! O \n & 34, 183, 16, 183, 34, 183, 183, 41, 34, 39, & ! 1 \n & 26, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0/ ! 3 \n\n DATA ( IRR( IRXXN, 20 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 36, 108, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 17, 41, 0, & ! O \n & 27, 41, 18, 41, 27, 41, 41, 39, 27, 34, & ! 1 \n & 15, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0/ ! 3 \n\n DATA ( IRR( IRXXN, 21 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 26, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 16, 34, 0, & ! O \n & 26, 39, 53, 34, 26, 39, 39, 34, 26, 27, & ! 1 \n & 17, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0/ ! 3 \n\n DATA ( IRR( IRXXN, 22 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 27, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 18, 27, 0, & ! O \n & 15, 34, 94, 27, 15, 34, 34, 27, 15, 26, & ! 1 \n & 16, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0/ ! 3 \n\n DATA ( IRR( IRXXN, 23 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 64, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 53, 26, 0, & ! O \n & 17, 27, 56, 26, 17, 27, 27, 26, 17, 15, & ! 1 \n & 18, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0/ ! 3 \n\n DATA ( IRR( IRXXN, 24 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 108, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 94, 15, 0, & ! O \n & 16, 26, 95, 15, 16, 26, 26, 15, 16, 17, & ! 1 \n & 53, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0/ ! 3 \n\n DATA ( IRR( IRXXN, 25 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 56, 17, 0, & ! O \n & 18, 15, 0, 17, 18, 15, 15, 17, 18, 16, & ! 1 \n & 94, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0/ ! 3 \n\n DATA ( IRR( IRXXN, 26 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 95, 16, 0, & ! O \n & 53, 17, 0, 16, 53, 17, 17, 16, 53, 18, & ! 1 \n & 56, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0/ ! 3 \n\n DATA ( IRR( IRXXN, 27 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 18, 0, & ! O \n & 94, 16, 0, 18, 94, 16, 16, 18, 94, 53, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0/ ! 3 \n\n DATA ( IRR( IRXXN, 28 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 53, 0, & ! O \n & 56, 18, 0, 53, 56, 18, 18, 53, 56, 94, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0/ ! 3 \n\n DATA ( IRR( IRXXN, 29 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 94, 0, & ! O \n & 0, 53, 0, 94, 0, 53, 53, 94, 0, 56, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0/ ! 3 \n\n DATA ( IRR( IRXXN, 30 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 56, 0, & ! O \n & 0, 94, 0, 56, 0, 94, 94, 56, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0/ ! 3 \n\n DATA ( IRR( IRXXN, 31 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 56, 0, 0, 0, 56, 56, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0/ ! 3 \n\n DATA ( RTDAT( 1,IRXXN ), IRXXN = 1, NRXNS ) / & \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! O \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 1 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 2 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 3 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.7000D-12, 1.0000D-14, 3.0000D-12, 1.2000D-13, 6.1000D-34, & ! 4 \n & 8.0000D-12, 3.3000D-11, 2.1500D-11, 1.6300D-10, 2.8000D-12, & ! + \n & 4.8000D-11, 3.0000D-13, 4.2000D-34, 1.8000D-12, 9.1000D-32, & ! 5 \n & 7.1000D-31, 3.4400D-12, 6.0950D-14, 4.2500D-39, 3.0000D-12, & ! + \n & 5.3000D-12, 3.4000D-31, 1.8000D-30, 2.4000D-14, 2.0000D-11, & ! 6 \n & 3.5000D-12, 1.7000D-11, 4.3500D-14, 8.5000D-13, 2.4000D-30, & ! + \n & 5.8000D-27, 1.0000D-22, 1.9000D-31, 2.1000D-27, 4.5000D-13, & ! 7 \n & 2.9000D-31, 1.4400D-13, 2.4500D-12, 7.6600D-12, 7.6800D-12, & ! + \n & 1.0100D-11, 1.0000D-28, 5.7200D-12, 1.3300D-11, 5.5000D-30, & ! 8 \n & 2.3300D-12, 1.8100D-12, 2.3300D-11, 7.1600D-12, 1.5800D-14, & ! + \n & 2.9500D-12, 2.6900D-11, 4.5000D-13, 6.0000D-12, 4.6000D-12, & ! 9 \n & 2.9700D-11, 3.1400D-11, 9.4200D-12, 2.4000D-11, 1.5000D-11, & ! + \n & 4.0000D-05, 3.0000D-12, 1.2100D-11, 4.2000D-11, 5.2000D-12, & ! O \n & 1.1000D-10, 5.5000D-12, 4.7000D-12, 4.9000D-12, 4.5600D-14, & ! + \n & 1.5000D-12, 2.8000D-12, 3.0000D-12, 8.0000D-12, 2.6000D-12, & ! 1 \n & 5.7700D-12, 1.1000D-11, 9.2600D-13, 2.8000D-11, 2.8000D-11, & ! + \n & 1.0000D-11, 5.3200D-12, 6.7500D-12, 4.6500D-11, 2.0500D-10, & ! 2 \n & 2.8500D-12, 3.0000D-12, 2.6000D-12, 1.4700D-11, 2.9000D-12, & ! + \n & 3.4000D-12, 3.4000D-12, 3.4000D-12, 3.0000D-11, 4.5000D-13, & ! 3 \n & 4.0000D-14, 2.9300D-12, 4.0000D-14, 4.0000D-14, 3.2000D-11, & ! + \n & 5.3100D-12, 4.8000D-12, 2.4000D-14, 9.1400D-15, 4.3300D-15, & ! 4 \n & 4.4000D-15, 8.0500D-16, 2.8000D-15, 8.3000D-18, 1.6700D-16, & ! + \n & 1.3600D-15, 8.5000D-16, 1.6600D-18, 2.0000D-16, 2.0000D-16, & ! 5 \n & 9.0000D-17, 2.8600D-13, 4.3920D-13, 1.7900D-13, 8.6400D-13, & ! + \n & 1.1900D-12, 1.2200D-11, 3.1500D-13, 2.0000D-12, 1.4000D-12, & ! 6 \n & 3.7600D-12, 3.4000D-15, 5.0200D-13, 2.9000D-12, 3.7600D-12, & ! + \n & 3.7800D-12, 1.0600D-12, 2.0100D-10, 2.2000D-14, 2.9000D-02, & ! 7 \n & 2.4000D-02, 9.7000D-29, 9.0000D-29, 9.7000D-29, 9.0000D-29, & ! + \n & 2.8000D-12, 1.6000D+16, 2.8000D-12, 2.6000D-12, 4.0000D-12, & ! 8 \n & 4.0000D-12, 9.0000D-12, 4.0000D-12, 4.0000D-12, 2.7000D-12, & ! + \n & 2.7000D-12, 2.7000D-12, 2.7000D-12, 2.7000D-12, 4.0000D-12, & ! 9 \n & 2.7000D-12, 4.0000D-12, 2.7000D-12, 4.0000D-12, 2.7000D-12, & ! + \n & 4.0000D-12, 2.7000D-12, 2.7000D-12, 8.1000D-12, 8.1000D-12, & ! O \n & 2.9000D-12, 4.0000D-12, 4.0000D-12, 2.5400D-12, 2.5400D-12, & ! + \n & 2.5400D-12, 2.5400D-12, 4.0000D-12, 4.0000D-12, 2.7000D-12, & ! 1 \n & 2.7000D-12, 4.0000D-12, 4.0000D-12, 4.0000D-12, 2.7000D-12, & ! + \n & 4.0000D-12, 2.0000D-11, 2.0000D-11, 2.0800D-12, 4.1000D-13, & ! 2 \n & 7.5000D-13, 1.6600D-13, 1.6600D-13, 1.9000D-13, 1.6600D-13, & ! + \n & 1.6600D-13, 2.9100D-13, 2.9100D-13, 2.9100D-13, 2.9100D-13, & ! 3 \n & 2.6000D-13, 1.5000D-11, 2.7100D-13, 1.5000D-11, 2.6000D-13, & ! + \n & 1.5000D-11, 2.7100D-13, 1.5000D-11, 2.7100D-13, 2.7300D-13, & ! 4 \n & 4.3000D-13, 4.3000D-13, 1.1500D-13, 1.1500D-13, 1.1500D-13, & ! + \n & 1.8200D-13, 1.8200D-13, 2.9100D-13, 2.9100D-13, 3.7500D-13, & ! 5 \n & 1.0000D-11, 3.7500D-13, 1.1500D-13, 1.6600D-13, 1.6600D-13, & ! + \n & 3.7500D-13, 1.6600D-13, 9.5000D-14, 1.1800D-13, 9.4600D-14, & ! 6 \n & 1.0000D-13, 1.7100D-13, 1.4600D-13, 9.1800D-14, 3.5600D-14, & ! + \n & 3.5600D-14, 3.5600D-14, 3.5600D-14, 3.4000D-14, 2.0000D-12, & ! 7 \n & 1.0000D-10, 2.0000D-12, 1.0000D-10, 2.0000D-12, 1.0000D-10, & ! + \n & 2.0000D-12, 1.0000D-10, 2.0000D-11, 2.0000D-11, 7.5000D-13, & ! 8 \n & 6.9100D-13, 6.9100D-13, 3.4000D-14, 3.4000D-14, 8.3700D-14, & ! + \n & 3.4000D-14, 3.5600D-14, 3.5600D-14, 3.5600D-14, 3.5600D-14, & ! 9 \n & 7.5000D-13, 1.6000D-13, 9.6800D-14, 3.5600D-14, 5.9900D-15, & ! + \n & 1.0300D-12, 6.9000D-13, 5.5900D-13, 9.4800D-13, 8.1100D-13, & ! O \n & 5.0900D-13, 7.4000D-13, 7.4000D-13, 7.4000D-13, 7.4000D-13, & ! + \n & 8.4000D-14, 2.0000D-12, 1.0000D-10, 2.0000D-12, 1.0000D-10, & ! 1 \n & 2.0000D-12, 1.0000D-10, 2.0000D-12, 1.0000D-10, 2.5000D-12, & ! + \n & 2.5000D-12, 7.5100D-13, 7.5100D-13, 7.5100D-13, 8.4000D-14, & ! 2 \n & 8.4000D-14, 1.6800D-12, 1.6800D-12, 7.4000D-13, 7.4000D-13, & ! + \n & 7.4000D-13, 7.4000D-13, 7.5100D-13, 8.8500D-13, 5.3700D-13, & ! 3 \n & 7.4000D-13, 3.4000D-14, 2.5000D-12, 1.2000D-12, 1.2000D-12, & ! + \n & 1.2000D-12, 1.2000D-12, 1.2000D-12, 1.2000D-12, 1.2000D-12, & ! 4 \n & 2.3000D-12, 2.3000D-12, 2.3000D-12, 2.3000D-12, 1.2000D-12, & ! + \n & 2.3000D-12, 2.3000D-12, 2.3000D-12, 2.3000D-12, 4.0000D-12, & ! 5 \n & 4.0000D-12, 1.2000D-12, 1.2000D-12, 1.2000D-12, 1.2000D-12, & ! + \n & 1.2000D-12, 2.5000D-12, 2.5000D-12, 2.5000D-12, 2.5000D-12, & ! 6 \n & 1.2000D-12, 1.2000D-12, 1.2000D-12, 1.2000D-12, 1.2000D-12, & ! + \n & 1.2000D-12, 7.0000D-14, 4.2500D-14, 2.9600D-14, 1.2000D-12, & ! 7 \n & 2.5000D-12, 7.1300D-17, 1.0000D-10, 1.0000D-10, 1.0000D-10, & ! + \n & 1.0000D-10, 1.0000D-10, 1.0000D-10, 1.0000D-10, 1.0000D-10, & ! 8 \n & 1.0000D-10, 1.0000D-10, 1.0000D-10, 1.0000D-10, 5.7800D-11, & ! + \n & 6.8900D-12, 6.5500D-14, 8.0000D-12, 2.9000D-19, 3.4000D-15, & ! 9 \n & 1.0000D+00, 1.4800D-11, 9.0500D-12, 2.3000D-12, 1.6100D-11, & ! + \n & 2.3900D-12, 1.3700D-11, 1.3400D-14, 1.0000D-13, 5.0100D-11, & ! O \n & 2.7000D-12, 3.7500D-13, 4.4000D-11, 3.4300D-17, 8.9900D-12, & ! + \n & 1.2000D-11, 1.9000D-11, 2.8400D-13, 2.7000D-12, 2.3000D-12, & ! 1 \n & 1.2000D-14, 1.9700D-10, 2.8400D-13, 2.3000D-12, 2.7000D-12, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 2 \n & 1.0000D+00, 6.7006D-11, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 2.0000D+00, 5.0000D-01, 1.5300D-11, 1.6800D-11, 2.2400D-11, & ! 3 \n & 2.6700D-11, 3.0900D-11, 3.3800D-11, 1.1000D-11, 2.7000D-12, & ! + \n & 2.7000D-12, 2.7000D-12, 2.7000D-12, 2.7000D-12, 2.7000D-12, & ! 4 \n & 2.7000D-12, 2.3000D-12, 2.3000D-12, 2.3000D-12, 2.3000D-12, & ! + \n & 2.3000D-12, 2.3000D-12, 2.3000D-12, 2.1700D-11, 2.2000D-11, & ! 5 \n & 2.2500D-11, 2.2600D-11, 2.2700D-11, 2.2700D-11, 2.6600D-13, & ! + \n & 1.8800D-01, 1.8800D-01, 1.8800D-01, 1.8800D-01, 1.8800D-01, & ! 6 \n & 1.8800D-01, 1.8800D-01, 2.7000D-12, 2.7000D-12, 2.7000D-12, & ! + \n & 2.7000D-12, 2.7000D-12, 2.7000D-12, 2.7000D-12, 2.3000D-12, & ! 7 \n & 2.3000D-12, 2.3000D-12, 2.3000D-12, 2.3000D-12, 2.3000D-12, & ! + \n & 2.3000D-12, 2.1700D-11, 2.2000D-11, 2.2500D-11, 2.2600D-11, & ! 8 \n & 2.2700D-11, 2.2700D-11, 2.6600D-13, 1.8100D-11, 2.9100D-13, & ! + \n & 2.7000D-12, 2.3000D-12, 3.5600D-14, 7.4000D-13, 1.8100D-11, & ! 9 \n & 2.9100D-13, 2.7000D-12, 2.3000D-12, 3.5600D-14, 7.4000D-13, & ! + \n & 2.3100D-11, 2.9100D-13, 2.7000D-12, 2.3000D-12, 3.5600D-14, & ! O \n & 7.4000D-13, 5.9000D-11, 6.0700D-11, 5.5400D-11, 5.6300D-11, & ! + \n & 5.4600D-11, 4.5000D-11, 5.1700D-11, 4.7300D-11, 4.6000D-11, & ! 1 \n & 3.8000D-11, 3.9300D-11, 3.5200D-11, 3.1200D-11, 2.4000D-11, & ! + \n & 2.0500D-11, 4.6900D-11, 2.4500D-12, 9.2600D-05, 9.2600D-05, & ! 2 \n & 5.8000D-11, 2.9100D-12, 2.7000D-12, 2.3000D-12, 2.5000D-13, & ! + \n & 2.5000D-13/ ! 3 \n\n DATA ( RTDAT( 2,IRXXN ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00,-2.4000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 4.6000D+02, 2.6600D+03, 0.0000D+00,-1.5000D+00, & ! 5 \n & -2.6000D+00, 0.0000D+00, 2.7000D+02, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00,-1.6000D+00,-3.0000D+00, 4.6000D+02, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00,-3.0000D+00, & ! + \n & 1.0840D+04, 0.0000D+00,-3.4000D+00, 1.0900D+04, 0.0000D+00, & ! 7 \n & -4.1000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00,-4.5000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.6500D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 4.6000D+02, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 2.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00,-5.6000D+00, 1.4000D+04,-5.6000D+00, 1.4000D+04, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 3.4153D-08, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00/ ! 3 \n\n DATA ( RTDAT( 3,IRXXN ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & -9.4000D+02,-4.9000D+02,-1.5000D+03,-2.4500D+03, 0.0000D+00, & ! 4 \n & -2.0600D+03, 5.5000D+01, 1.1000D+02, 6.0000D+01,-1.8000D+03, & ! + \n & 2.5000D+02, 2.1000D-33, 2.9400D-54, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 2.6000D+02, 6.8570D-34, 6.6350D+02, 2.5000D+02, & ! + \n & 2.0000D+02, 0.0000D+00, 0.0000D+00, 2.7000D-17, 0.0000D+00, & ! 6 \n & 0.0000D+00, 1.2500D+02,-1.3350D+03,-2.4500D+03, 0.0000D+00, & ! + \n & 7.0000D+01, 0.0000D+00, 0.0000D+00, 7.3000D+01, 6.1000D+02, & ! 7 \n & 0.0000D+00, 2.7400D-33,-1.7750D+03,-1.0200D+03,-3.7000D+02, & ! + \n & -2.4500D+02, 0.0000D+00, 5.0000D+02, 5.0000D+02, 0.0000D+00, & ! 8 \n & -1.9300D+02, 3.5400D+02, 0.0000D+00, 0.0000D+00,-2.0000D+03, & ! + \n & -4.5000D+02, 3.9000D+02, 1.3000D+03, 3.5000D+02, 2.0000D+02, & ! 9 \n & 3.9000D+02, 5.8000D+02, 5.8000D+02, 3.9000D+02, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 4.4000D+02, 4.0100D+02, 6.0000D+02, & ! O \n & 0.0000D+00, 1.2500D+02, 3.4500D+02, 4.0500D+02,-4.2700D+02, & ! + \n & -9.0000D+01, 1.0000D+01, 0.0000D+00, 3.8000D+02, 6.1000D+02, & ! 1 \n & 5.3300D+02, 0.0000D+00, 8.3000D+02, 1.7500D+02, 1.7500D+02, & ! + \n & 0.0000D+00, 2.4300D+02, 4.0500D+02, 0.0000D+00, 0.0000D+00, & ! 2 \n & -3.4500D+02, 2.0000D+01, 2.0000D+02, 0.0000D+00, 1.9000D+02, & ! + \n & 1.9000D+02, 1.9000D+02, 1.9000D+02, 0.0000D+00, 0.0000D+00, & ! 3 \n & 8.5000D+02, 1.9000D+02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & -2.6000D+02, 0.0000D+00, 2.7000D-17,-2.5800D+03,-1.8000D+03, & ! 4 \n & -8.4500D+02,-6.4000D+02,-7.7000D+02, 0.0000D+00, 0.0000D+00, & ! + \n & -2.1120D+03,-1.5200D+03, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00,-2.2820D+03,-4.5000D+02, 4.5000D+02, & ! + \n & 4.9000D+02, 0.0000D+00,-4.4800D+02,-2.4400D+03,-1.9000D+03, & ! 6 \n & -1.9000D+03, 0.0000D+00,-1.0760D+03,-1.9000D+03,-1.9000D+03, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00,-5.0000D+02, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 1.7700D+02, 0.0000D+00, 1.7900D+02, & ! + \n & 1.8100D+02,-1.3486D+04, 3.0000D+02, 3.6500D+02, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.6000D+02, & ! + \n & 3.6000D+02, 3.6000D+02, 3.6000D+02, 3.6000D+02, 0.0000D+00, & ! 9 \n & 3.6000D+02, 0.0000D+00, 3.6000D+02, 0.0000D+00, 3.6000D+02, & ! + \n & 0.0000D+00, 3.6000D+02, 3.6000D+02, 2.7000D+02, 2.7000D+02, & ! O \n & 3.0000D+02, 0.0000D+00, 0.0000D+00, 3.6000D+02, 3.6000D+02, & ! + \n & 3.6000D+02, 3.6000D+02, 0.0000D+00, 0.0000D+00, 3.6000D+02, & ! 1 \n & 3.6000D+02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.6000D+02, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 7.5000D+02, & ! 2 \n & 7.0000D+02, 1.3000D+03, 1.3000D+03, 1.3000D+03, 1.3000D+03, & ! + \n & 1.3000D+03, 1.3000D+03, 1.3000D+03, 1.3000D+03, 1.3000D+03, & ! 3 \n & 1.3000D+03, 0.0000D+00, 1.3000D+03, 0.0000D+00, 1.3000D+03, & ! + \n & 0.0000D+00, 1.3000D+03, 0.0000D+00, 1.3000D+03, 1.3000D+03, & ! 4 \n & 1.0400D+03, 1.0400D+03, 1.3000D+03, 1.3000D+03, 1.3000D+03, & ! + \n & 1.3000D+03, 1.3000D+03, 1.3000D+03, 1.3000D+03, 9.8000D+02, & ! 5 \n & 0.0000D+00, 9.8000D+02, 1.3000D+03, 1.3000D+03, 1.3000D+03, & ! + \n & 9.8000D+02, 1.3000D+03, 3.9000D+02, 1.5800D+02, 4.3100D+02, & ! 6 \n & 4.6700D+02, 7.0800D+02, 7.0800D+02, 7.0800D+02, 7.0800D+02, & ! + \n & 7.0800D+02, 7.0800D+02, 7.0800D+02, 2.2100D+02, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 5.0000D+02, 5.0000D+02, 5.0000D+02, & ! 8 \n & 5.0800D+02, 5.0800D+02, 2.2100D+02, 2.2100D+02, 0.0000D+00, & ! + \n & 2.2100D+02, 7.0800D+02, 7.0800D+02, 7.0800D+02, 7.0800D+02, & ! 9 \n & 5.0000D+02, 7.0800D+02, 7.0800D+02, 0.0000D+00, 1.5100D+03, & ! + \n & 2.1100D+02, 4.6000D+02, 5.2200D+02, 7.6500D+02, 7.6500D+02, & ! O \n & 7.6500D+02, 7.6500D+02, 7.6500D+02, 7.6500D+02, 7.6500D+02, & ! + \n & 2.2100D+02, 5.0000D+02, 0.0000D+00, 5.0000D+02, 0.0000D+00, & ! 1 \n & 5.0000D+02, 0.0000D+00, 5.0000D+02, 0.0000D+00, 5.0000D+02, & ! + \n & 5.0000D+02, 5.6500D+02, 5.6500D+02, 5.6500D+02, 2.2100D+02, & ! 2 \n & 2.2100D+02, 5.0000D+02, 5.0000D+02, 7.6500D+02, 7.6500D+02, & ! + \n & 7.0800D+02, 7.0800D+02, 5.6500D+02, 7.6500D+02, 7.6500D+02, & ! 3 \n & 7.0800D+02, 1.5600D+03, 5.0000D+02, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+03, 1.0000D+03, 1.0000D+03, 0.0000D+00, & ! 7 \n & 5.0000D+02, 2.9500D+03, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00,-4.0000D+02, & ! + \n & 0.0000D+00, 0.0000D+00, 3.8000D+02, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 4.4800D+02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00,-2.2830D+03, 0.0000D+00, 0.0000D+00, & ! O \n & 3.6000D+02, 9.8000D+02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.3000D+03, 3.6000D+02, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 1.3000D+03, 0.0000D+00, 3.6000D+02, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 2.0000D-06, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.6000D+02, & ! + \n & 3.6000D+02, 3.6000D+02, 3.6000D+02, 3.6000D+02, 3.6000D+02, & ! 4 \n & 3.6000D+02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.3000D+03, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 3.6000D+02, 3.6000D+02, 3.6000D+02, & ! + \n & 3.6000D+02, 3.6000D+02, 3.6000D+02, 3.6000D+02, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 1.3000D+03, 0.0000D+00, 1.3000D+03, & ! + \n & 3.6000D+02, 0.0000D+00, 7.0800D+02, 7.6500D+02, 0.0000D+00, & ! 9 \n & 1.3000D+03, 3.6000D+02, 0.0000D+00, 7.0800D+02, 7.6500D+02, & ! + \n & 0.0000D+00, 1.3000D+03, 3.6000D+02, 0.0000D+00, 7.0800D+02, & ! O \n & 7.6500D+02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00,-1.7750D+03, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 1.3000D+03, 3.6000D+02, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00/ ! 3 \n INTEGER :: IRRFALL( NFALLOFF )\n\n DATA ( IRRFALL( IRXXN ), IRXXN = 1, NFALLOFF ) / & \n & 52, 53, 55, 56, 58, 62, 63, 64, 70, 73, & \n & 76, 77, 82, 85, 143, 177, 179, 427/\n\n DATA ( RFDAT( 1,IRXXN ), IRXXN = 1, NFALLOFF ) / & \n & 9.2000D+02, 3.1200D+03, 3.0000D-11, 3.6000D-11, 2.7000D+02, & \n & 2.3000D-11, 2.8000D-11, 2.1990D+03, 1.6000D-12, 4.0000D-12, & \n & 1.7000D-12, 0.0000D+00, 8.8000D-12, 8.3000D-13, 2.1990D+03, & \n & 9.3000D-12, 9.3000D-12, 1.0743D+01/\n\n DATA ( RFDAT( 2,IRXXN ), IRXXN = 1, NFALLOFF ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00,-1.0000D-01,-1.0000D+00, & \n & -2.0000D-01, 0.0000D+00, 6.5000D-34, 1.0000D-01,-3.0000D-01, & \n & 2.0000D-01, 0.0000D+00,-8.5000D-01, 2.0000D+00, 6.5000D-34, & \n & -1.5000D+00,-1.5000D+00,-6.7130D-01/\n\n DATA ( RFDAT( 3,IRXXN ), IRXXN = 1, NFALLOFF ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, & \n & 0.0000D+00, 0.0000D+00, 1.3350D+03, 0.0000D+00, 0.0000D+00, & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.3350D+03, & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00/\n\n DATA ( RFDAT( 4,IRXXN ), IRXXN = 1, NFALLOFF ) / & \n & 0.0000D+00, 0.0000D+00, 6.0000D-01, 6.0000D-01,-5.9680D-14, & \n & 6.0000D-01, 6.0000D-01, 0.0000D+00, 6.0000D-01, 6.0000D-01, & \n & 6.0000D-01, 0.0000D+00, 6.0000D-01, 6.0000D-01, 0.0000D+00, & \n & 6.0000D-01, 6.0000D-01, 0.0000D+00/\n\n DATA ( RFDAT( 5,IRXXN ), IRXXN = 1, NFALLOFF ) / & \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, 2.7000D+02, & \n & 1.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, & \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, & \n & 1.0000D+00, 1.0000D+00, 0.0000D+00/\n\n REAL( 8 ) :: SC( NRXNS,MXPRD )\n\n DATA ( SC( IRXXN, 1 ), IRXXN = 1, NRXNS ) / & \n & 1.0000D+00, 1.0000D+00, 2.0000D+00, 1.0000D+00, 1.0000D+00, & ! O \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 2.0000D-01, 1.0000D+00, & ! + \n & 2.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 2.0000D+00, & ! 1 \n & 1.2200D+00, 1.0000D+00, 1.0000D+00, 1.0000D-01, 1.5000D+00, & ! + \n & 1.0000D+00, 3.4000D-01, 3.0000D-01, 2.0000D+00, 1.0000D+00, & ! 2 \n & 2.0000D+00, 1.0000D+00, 1.5000D+00, 1.5000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 3 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 4 \n & 0.0000D+00, 1.0000D+00, 1.0000D+00, 2.0000D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 5 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 2.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 6 \n & 7.0000D-01, 2.0000D+00, 1.0000D+00, 2.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 2.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 7 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 6.5000D-01, & ! 8 \n & 4.7000D-01, 8.2000D-01, 8.3000D-01, 8.2000D-01, 2.5000D-01, & ! + \n & 4.0000D-01, 1.0000D+00, 1.0000D+00, 1.3000D-01, 1.0000D+00, & ! 9 \n & 4.0000D-02, 4.5000D-01, 1.5000D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 5.7000D-01, 9.7500D-01, 9.4500D-01, 2.3000D-01, & ! O \n & 8.3000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 5.7000D-01, 1.0000D+00, & ! 1 \n & 3.1300D-01, 1.0000D+00, 1.0000D+00, 5.2000D-01, 5.2000D-01, & ! + \n & 5.6000D-01, 1.0000D+00, 1.5200D-01, 2.0000D-01, 1.0000D+00, & ! 2 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 3.5000D-01, & ! + \n & 1.0000D-02, 1.0000D-02, 1.0000D-02, 1.0000D+00, 1.0000D+00, & ! 3 \n & 6.4000D-01, 3.5000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 3.3000D-01, 1.0000D+00, 8.0000D-02, 2.2000D-01, & ! 4 \n & 4.6000D-01, 6.0550D-01, 6.6000D-01, 9.0000D-02, 3.3000D-01, & ! + \n & 1.9000D-01, 1.6000D-01, 1.0000D-01, 5.0000D-02, 5.0000D-02, & ! 5 \n & 5.0000D-02, 1.0000D+00, 8.0000D-01, 4.3000D-01, 1.1000D-01, & ! + \n & 9.7500D-01, 9.4500D-01, 3.3000D-01, 1.0000D+00, 1.0000D+00, & ! 6 \n & 1.0000D+00, 6.8000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.5200D-01, 2.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 7 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 6.6000D-01, & ! 8 \n & 2.0000D-01, 1.0000D+00, 7.8000D-01, 8.3000D-01, 0.0000D+00, & ! + \n & 2.0000D-04, 1.0000D-04, 2.0000D-04, 2.3700D-01, 8.2000D-01, & ! 9 \n & 1.6955D+00, 8.2000D-01, 2.3000D-01, 7.7000D-01, 5.7000D-01, & ! + \n & 7.7000D-01, 3.6000D-01, 6.4000D-01, 1.0000D+00, 1.0000D+00, & ! O \n & 1.0000D+00, 6.7000D-01, 7.7000D-01, 6.5000D-01, 1.0000D+00, & ! + \n & 3.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 1 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 2.0000D+00, 2.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 2 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 6.0210D-01, 7.1950D-01, 4.8200D-02, 8.5400D-02, & ! 3 \n & 3.9000D-02, 1.0000D+00, 4.6100D-01, 1.0000D+00, 9.0000D-01, & ! + \n & 1.0000D+00, 7.7000D-01, 1.0000D+00, 7.5000D-01, 9.0000D-01, & ! 4 \n & 4.4000D-01, 4.4000D-01, 1.5000D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 5 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 7.4000D-01, 1.0000D+00, 8.9400D-01, & ! 6 \n & 8.4200D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 6.8000D-01, & ! + \n & 6.8000D-01, 6.8000D-01, 6.8000D-01, 1.0000D+00, 1.0295D+00, & ! 7 \n & 1.0000D+00, 3.4100D-01, 7.5000D-01, 2.5000D-01, 1.0000D+00, & ! + \n & 6.9000D-01, 7.5000D-01, 9.0000D-01, 9.0000D-01, 5.0000D-01, & ! 8 \n & 8.3400D-01, 1.0000D+00, 5.0000D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 2.0000D+00, 1.0000D+00, & ! 9 \n & 1.0000D+00, 2.0000D+00, 5.0000D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 5.0000D-01, 3.9400D-01, 3.4200D-01, 5.0000D-01, 5.0000D-01, & ! O \n & 5.0000D-01, 7.0000D-01, 7.0000D-01, 7.0000D-01, 7.0000D-01, & ! + \n & 5.0000D-01, 2.5350D-01, 5.0000D-01, 8.2500D-01, 5.0000D-01, & ! 1 \n & 1.0000D+00, 5.0000D-01, 1.0000D+00, 5.0000D-01, 2.0000D+00, & ! + \n & 1.0000D+00, 5.0000D-01, 3.3000D-01, 5.0000D-01, 6.3500D-01, & ! 2 \n & 1.0000D+00, 5.0000D-01, 5.0000D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 2.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 5.0000D-01, & ! 3 \n & 1.0000D+00, 1.0000D+00, 2.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 2.5400D-01, 4.8800D-01, 1.0000D+00, 4.7000D-01, 8.6000D-01, & ! 4 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.8250D+00, 1.4600D+00, 1.0000D+00, & ! 5 \n & 1.0000D+00, 1.0000D+00, 6.7000D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 3.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 6 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 2.0000D+00, & ! + \n & 2.0000D+00, 1.0000D+00, 5.0000D-01, 1.0000D+00, 1.0000D+00, & ! 7 \n & 1.0000D+00, 0.0000D+00, 9.6000D-01, 9.6000D-01, 9.6000D-01, & ! + \n & 9.6000D-01, 9.6000D-01, 9.6000D-01, 9.6000D-01, 9.6000D-01, & ! 8 \n & 9.6000D-01, 9.6000D-01, 9.6000D-01, 9.6000D-01, 1.0000D+00, & ! + \n & 8.5200D-01, 1.0000D+00, 5.7000D-01, 8.4000D-01, 6.8000D-01, & ! 9 \n & 1.0000D+00, 6.6700D-01, 9.6800D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 3.2000D-01, 7.0000D-01, 6.2000D-01, 9.0000D-01, 4.9000D-01, & ! O \n & 8.0000D-02, 6.0000D-01, 6.5000D-01, 2.0000D-02, 1.0000D+00, & ! + \n & 6.1300D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 1 \n & 9.8200D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 2.4700D-01, & ! + \n & 1.0000D+00, 1.0000D+00, 2.0000D+00, 5.0000D-01, 0.0000D+00, & ! 2 \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 3 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 7.2000D-01, & ! + \n & 7.2000D-01, 7.2000D-01, 7.2000D-01, 7.2000D-01, 7.2000D-01, & ! 4 \n & 7.4000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 5 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 6 \n & 1.0000D+00, 1.0000D+00, 1.4000D-01, 1.4000D-01, 1.4000D-01, & ! + \n & 1.4000D-01, 1.4000D-01, 1.0000D+00, 1.2000D-01, 1.0000D+00, & ! 7 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 8 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 8.4000D-01, 5.9500D-02, & ! + \n & 1.0000D-04, 1.0000D+00, 6.8000D-01, 7.0000D-01, 8.4000D-01, & ! 9 \n & 5.9500D-02, 1.0000D-04, 1.0000D+00, 6.8000D-01, 7.0000D-01, & ! + \n & 8.4000D-01, 5.9500D-02, 5.9500D-02, 1.0000D+00, 6.8000D-01, & ! O \n & 7.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 1 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 2 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.3700D+00, & ! + \n & 1.0000D+00/ ! 3 \n\n DATA ( SC( IRXXN, 2 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! O \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 8.0000D-01, 0.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 1 \n & 7.8400D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 5.0000D-01, & ! + \n & 1.0000D+00, 6.6000D-01, 3.0000D-01, 0.0000D+00, 1.0000D+00, & ! 2 \n & 2.0000D+00, 1.0000D+00, 2.5000D-01, 2.5000D-01, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 3 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 6.7000D-01, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, & ! 6 \n & 7.0000D-01, 0.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! 7 \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.8100D-05, & ! + \n & 1.3400D-03, 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.5000D-01, & ! 8 \n & 5.3000D-01, 1.8000D-01, 1.7000D-01, 1.8000D-01, 2.5000D-01, & ! + \n & 4.5000D-02, 2.5000D-01, 7.0000D-02, 4.0000D-01, 0.0000D+00, & ! 9 \n & 2.0000D-02, 9.5000D-01, 6.5000D-01, 3.5000D-01, 1.0000D+00, & ! + \n & 1.0000D+00, 4.3000D-01, 2.5000D-02, 5.5000D-02, 7.7000D-01, & ! O \n & 1.7000D-01, 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 4.3000D-01, 0.0000D+00, & ! 1 \n & 6.8700D-01, 2.0000D+00, 1.0000D+00, 3.3000D-01, 3.3000D-01, & ! + \n & 2.1000D-01, 0.0000D+00, 6.1900D-01, 5.8400D-01, 0.0000D+00, & ! 2 \n & 1.0000D+00, 1.0000D+00, 7.1900D-01, 1.0000D+00, 6.5000D-01, & ! + \n & 4.4000D-01, 4.4000D-01, 4.4000D-01, 0.0000D+00, 0.0000D+00, & ! 3 \n & 3.6000D-01, 6.5000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 6.7000D-01, 1.0000D+00, 1.5000D-01, 3.2000D-01, & ! 4 \n & 7.0000D-02, 2.1450D-01, 6.6000D-01, 1.0000D+00, 6.7000D-01, & ! + \n & 1.4000D-01, 1.1000D-01, 7.2000D-02, 1.0000D+00, 1.0000D+00, & ! 5 \n & 1.0000D+00, 0.0000D+00, 2.0000D-01, 5.7000D-01, 8.9000D-01, & ! + \n & 2.5000D-02, 5.5000D-02, 6.7000D-01, 1.0000D+00, 1.0000D+00, & ! 6 \n & 1.0000D+00, 3.2000D-01, 1.0000D+00, 2.0000D+00, 1.0000D+00, & ! + \n & 3.3900D-01, 3.2000D-01, 1.0000D+00, 1.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.3100D-01, & ! 8 \n & 5.1000D-02, 1.0000D+00, 9.7000D-01, 9.5000D-01, 1.2000D-03, & ! + \n & 1.3000D-03, 1.3000D-03, 1.3000D-03, 7.6300D-01, 8.2000D-01, & ! 9 \n & 2.3450D-01, 8.2000D-01, 7.7000D-01, 7.7000D-01, 7.0000D-02, & ! + \n & 7.7000D-01, 6.4000D-01, 3.6000D-01, 1.0000D+00, 1.0000D+00, & ! O \n & 1.0000D+00, 1.0000D+00, 2.3000D-01, 3.5000D-01, 5.0000D-01, & ! + \n & 7.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 1 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 2.8700D-01, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 3.9790D-01, 2.8050D-01, 6.7470D-01, 6.3410D-01, & ! 3 \n & 3.9000D-02, 0.0000D+00, 4.5500D-01, 0.0000D+00, 1.0000D-01, & ! + \n & 0.0000D+00, 5.0000D-01, 0.0000D+00, 2.5000D-01, 1.0000D-01, & ! 4 \n & 4.4000D-01, 4.4000D-01, 1.5000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.3700D+00, 7.5000D-01, 8.0000D-02, & ! 6 \n & 1.8000D-02, 1.9500D+00, 1.5000D+00, 7.5000D-01, 1.3700D+00, & ! + \n & 1.2846D+00, 1.3218D+00, 1.2846D+00, 1.3100D+00, 2.2050D-01, & ! 7 \n & 7.5000D-01, 9.6400D-01, 7.5000D-01, 1.0000D+00, 7.5000D-01, & ! + \n & 9.1000D-01, 7.5000D-01, 9.0000D-01, 9.0000D-01, 5.0000D-01, & ! 8 \n & 1.0000D+00, 7.5000D-01, 2.6900D-01, 1.0000D+00, 1.1600D+00, & ! + \n & 3.0500D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 9 \n & 1.0000D+00, 1.0000D+00, 5.0000D-01, 7.0000D-01, 1.0000D+00, & ! + \n & 5.0000D-01, 5.8000D-01, 5.1800D-01, 5.0000D-01, 5.0000D-01, & ! O \n & 5.0000D-01, 1.0000D+00, 9.1460D-01, 9.5180D-01, 9.1460D-01, & ! + \n & 5.0000D-01, 3.7100D-01, 5.0000D-01, 6.5000D-01, 5.0000D-01, & ! 1 \n & 5.6000D-01, 5.0000D-01, 4.6000D-01, 5.0000D-01, 0.0000D+00, & ! + \n & 1.0000D+00, 5.0000D-01, 5.0000D-01, 5.0000D-01, 5.0000D-01, & ! 2 \n & 5.0000D-01, 5.0000D-01, 5.0000D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 3 \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.4000D-01, 5.5000D-02, 1.0000D+00, 7.9000D-01, 7.2000D-01, & ! 4 \n & 1.0000D+00, 9.1460D-01, 9.5180D-01, 9.1460D-01, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 6.5000D-01, 4.6000D-01, 1.0000D+00, & ! 5 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 5.3800D-01, & ! + \n & 1.0000D+00, 7.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 6 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 2.8700D-01, & ! + \n & 1.0000D+00, 2.0000D+00, 5.0000D-01, 5.0400D-01, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 4.8000D-01, 4.8000D-01, 4.8000D-01, & ! + \n & 4.8000D-01, 4.8000D-01, 4.8000D-01, 4.8000D-01, 4.8000D-01, & ! 8 \n & 4.8000D-01, 4.8000D-01, 4.8000D-01, 4.8000D-01, 0.0000D+00, & ! + \n & 1.4900D-01, 1.0100D-03, 4.3000D-01, 5.6000D-01, 3.2000D-01, & ! 9 \n & 4.7700D-01, 3.3300D-01, 9.6800D-01, 1.0000D+00, 0.0000D+00, & ! + \n & 1.1430D+00, 3.0000D-01, 6.3000D-01, 1.0000D-01, 4.9000D-01, & ! O \n & 9.2000D-01, 4.0000D-01, 3.1000D-01, 1.0000D+00, 8.0000D-01, & ! + \n & 3.8700D-01, 0.0000D+00, 0.0000D+00, 2.0000D+00, 2.0000D+00, & ! 1 \n & 1.8000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 7.5300D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 5.0000D-01, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.8000D-01, & ! + \n & 2.8000D-01, 2.8000D-01, 2.8000D-01, 2.8000D-01, 2.8000D-01, & ! 4 \n & 2.6000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 6 \n & 1.0000D+00, 1.0000D+00, 8.6000D-01, 8.6000D-01, 8.6000D-01, & ! + \n & 8.6000D-01, 8.6000D-01, 8.6000D-01, 8.8000D-01, 1.0000D+00, & ! 7 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.6000D-01, 9.0480D-01, & ! + \n & 1.8000D-03, 9.4050D-01, 1.3105D+00, 9.4050D-01, 1.6000D-01, & ! 9 \n & 9.0480D-01, 1.8000D-03, 9.4050D-01, 1.3105D+00, 9.4050D-01, & ! + \n & 1.6000D-01, 9.0480D-01, 1.8000D-03, 9.4050D-01, 1.3105D+00, & ! O \n & 9.4050D-01, 8.5400D-02, 4.6400D-01, 1.0410D-01, 2.0360D-01, & ! + \n & 2.7920D-01, 7.4000D-03, 2.8220D-01, 6.5900D-02, 1.7780D-01, & ! 1 \n & 2.3000D-03, 4.4500D-02, 3.1700D-02, 1.1700D-02, 1.0300D-02, & ! + \n & 6.1000D-03, 1.1880D-01, 0.0000D+00, 1.0000D+00, 1.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, 1.6800D+00, & ! + \n & 1.0000D+00/ ! 3 \n\n DATA ( SC( IRXXN, 3 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 8.0000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 1.2200D+00, 1.0000D+00, 1.0000D+00, 9.0000D-01, 5.0000D-01, & ! + \n & 1.0000D+00, 6.7000D-01, 7.0000D-01, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 1.0000D+00, 2.0000D-01, 2.0000D-01, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, & ! 3 \n & 2.0000D-01, 0.0000D+00, 0.0000D+00, 3.3000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 3.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.5000D-01, & ! 8 \n & 5.3000D-01, 1.8000D-01, 1.7000D-01, 1.8000D-01, 4.0000D-01, & ! + \n & 3.5000D-01, 3.0000D-02, 5.0000D-01, 8.8000D-01, 0.0000D+00, & ! 9 \n & 1.3000D-01, 2.0000D-02, 5.0000D-02, 1.7000D-01, 3.0000D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.0000D-01, 1.3000D-01, & ! + \n & 1.1000D-01, 0.0000D+00, 1.7000D-01, 1.6000D-01, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 1.8400D-01, 0.0000D+00, 3.5000D-01, & ! + \n & 7.0000D-02, 7.0000D-02, 7.0000D-02, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 3.5000D-01, 1.0000D+00, 1.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 2.7000D-01, 0.0000D+00, 4.3000D-01, 8.0000D-02, & ! 4 \n & 3.2000D-01, 2.5500D-01, 3.3000D-01, 6.2000D-01, 2.7000D-01, & ! + \n & 1.0000D-01, 2.8000D-01, 8.0000D-03, 6.0000D-01, 6.0000D-01, & ! 5 \n & 1.5000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 2.7000D-01, 1.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 6.8000D-01, 6.6800D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 8.5000D-01, 8.0000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, 4.8000D-02, & ! 8 \n & 2.3100D-01, 1.6000D+00, 7.8000D-01, 8.1000D-01, 8.0000D-04, & ! + \n & 6.0000D-04, 6.0000D-04, 6.0000D-04, 7.6300D-01, 1.0000D+00, & ! 9 \n & 7.0000D-02, 1.0000D+00, 7.7000D-01, 1.0000D+00, 1.3600D+00, & ! + \n & 1.0000D+00, 6.4000D-01, 3.6000D-01, 0.0000D+00, 0.0000D+00, & ! O \n & 1.0000D+00, 3.3000D-01, 1.6000D-01, 1.0000D+00, 5.0000D-01, & ! + \n & 7.0000D-01, 6.1000D-01, 0.0000D+00, 0.0000D+00, 3.2000D-01, & ! 1 \n & 0.0000D+00, 1.0000D+00, 1.0000D+00, 1.2400D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.7710D-01, 2.8050D-01, & ! 3 \n & 6.2500D-02, 0.0000D+00, 5.3900D-01, 0.0000D+00, 1.0000D-01, & ! + \n & 0.0000D+00, 2.3000D-01, 0.0000D+00, 2.5000D-01, 1.0000D-01, & ! 4 \n & 1.5000D-01, 1.5000D-01, 1.5000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 6.3000D-01, 7.5000D-01, 2.6000D-02, & ! 6 \n & 1.4000D-01, 1.5000D-01, 7.0500D-01, 1.2800D+00, 3.2000D-01, & ! + \n & 3.2000D-01, 3.2000D-01, 3.2000D-01, 1.5900D-01, 2.7300D-01, & ! 7 \n & 2.5000D-01, 4.3000D-02, 2.5000D-01, 1.0300D+00, 2.5000D-01, & ! + \n & 9.0000D-02, 7.5000D-01, 1.0000D+00, 1.0000D+00, 1.5000D+00, & ! 8 \n & 3.3400D-01, 5.0000D-01, 5.0000D-01, 1.5000D+00, 1.1600D+00, & ! + \n & 7.7300D-01, 1.0000D+00, 1.0000D+00, 3.2000D-01, 1.0000D+00, & ! 9 \n & 1.0000D+00, 1.0000D+00, 9.6500D-01, 1.0000D+00, 0.0000D+00, & ! + \n & 1.0000D+00, 2.6000D-02, 1.4000D-01, 1.6000D+00, 1.0000D+00, & ! O \n & 1.7100D+00, 3.0000D-01, 3.0000D-01, 3.0000D-01, 3.0000D-01, & ! + \n & 1.0480D+00, 9.1000D-02, 5.0000D-01, 1.0000D+00, 5.0000D-01, & ! 1 \n & 1.0000D+00, 5.0000D-01, 4.6000D-01, 5.0000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 3.3000D-01, 5.0000D-01, 2.6900D-01, & ! 2 \n & 1.0000D+00, 1.1600D+00, 5.0000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 3.2000D-01, 1.0000D+00, 0.0000D+00, 1.0000D+00, 2.8700D-01, & ! 3 \n & 7.0000D-01, 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 9.2000D-02, 2.8000D-01, 1.6000D+00, 7.9000D-01, 1.1000D-01, & ! 4 \n & 0.0000D+00, 8.5400D-02, 4.8200D-02, 8.5400D-02, 7.5000D-01, & ! + \n & 2.5350D-01, 1.0000D+00, 1.7500D-01, 5.4000D-01, 0.0000D+00, & ! 5 \n & 0.0000D+00, 1.0000D+00, 3.3000D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 7.0000D-01, 6.1000D-01, 0.0000D+00, 0.0000D+00, & ! 6 \n & 3.2000D-01, 0.0000D+00, 1.0000D+00, 1.0000D+00, 1.2400D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 2.0200D-01, 1.2100D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 4.8000D-01, 4.8000D-01, 4.8000D-01, & ! + \n & 4.8000D-01, 4.8000D-01, 4.8000D-01, 4.8000D-01, 4.8000D-01, & ! 8 \n & 4.8000D-01, 4.8000D-01, 4.8000D-01, 4.8000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.8000D-01, 6.8000D-01, & ! 9 \n & 2.5000D-01, 3.3300D-01, 8.9500D-01, 9.2500D-01, 0.0000D+00, & ! + \n & 8.7000D-01, 8.0000D-01, 4.2000D-01, 9.0000D-01, 5.1000D-01, & ! O \n & 9.2000D-01, 4.0000D-01, 6.6000D-01, 0.0000D+00, 2.0000D-01, & ! + \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 7.5300D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 7.2000D-01, & ! + \n & 7.2000D-01, 7.2000D-01, 7.2000D-01, 7.2000D-01, 7.2000D-01, & ! 4 \n & 7.4000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 8.6000D-01, 8.6000D-01, 8.6000D-01, & ! + \n & 8.6000D-01, 8.6000D-01, 8.6000D-01, 8.8000D-01, 1.0000D+00, & ! 7 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.6000D-01, 3.5700D-02, & ! + \n & 1.0000D-04, 5.9500D-02, 3.2000D-01, 3.0000D-01, 1.6000D-01, & ! 9 \n & 3.5700D-02, 1.0000D-04, 5.9500D-02, 3.2000D-01, 3.0000D-01, & ! + \n & 1.6000D-01, 3.5700D-02, 1.0000D-04, 5.9500D-02, 3.2000D-01, & ! O \n & 3.0000D-01, 2.5810D-01, 1.9770D-01, 5.6380D-01, 7.1000D-03, & ! + \n & 4.0250D-01, 1.1900D-01, 1.1650D-01, 4.5790D-01, 1.9240D-01, & ! 1 \n & 1.3400D-01, 1.7260D-01, 7.6500D-02, 1.6700D-02, 6.0000D-04, & ! + \n & 4.9000D-03, 8.0000D-04, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00/ ! 3 \n\n DATA ( SC( IRXXN, 4 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.0000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 3.5000D-01, 0.0000D+00, 0.0000D+00, 1.0000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 3.3000D-01, 7.0000D-01, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 8.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 6.5000D-01, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.8000D-02, & ! + \n & 5.5500D-01, 5.0000D-02, 0.0000D+00, 8.7000D-01, 0.0000D+00, & ! 9 \n & 4.4000D-01, 0.0000D+00, 2.0000D-01, 6.5000D-01, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 7.8000D-01, 1.0000D-01, & ! + \n & 2.7000D-01, 0.0000D+00, 5.9000D-02, 5.6000D-02, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 8.0000D-02, 8.0000D-02, 8.0000D-02, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 3.5000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 3.8000D-01, 0.0000D+00, 1.0000D+00, 6.0000D-02, & ! 4 \n & 7.0000D-02, 2.5350D-01, 3.3000D-01, 2.3000D-01, 3.8000D-01, & ! + \n & 2.2000D-01, 1.0000D-02, 2.0000D-03, 6.0000D-01, 6.0000D-01, & ! 5 \n & 4.8000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 3.8000D-01, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 6.8000D-01, 3.3200D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 4.2400D-01, 4.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 8.9000D-02, & ! 8 \n & 2.3500D-01, 2.0000D-01, 1.2000D-02, 6.8000D-01, 9.9800D-01, & ! + \n & 9.9800D-01, 9.9800D-01, 9.9800D-01, 1.9500D-01, 0.0000D+00, & ! 9 \n & 6.0450D-01, 0.0000D+00, 7.7000D-01, 0.0000D+00, 4.3000D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 3.6000D-01, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 6.7000D-01, 1.0000D+00, 6.5000D-01, 1.0000D+00, & ! + \n & 1.0000D+00, 3.0000D-02, 0.0000D+00, 0.0000D+00, 6.8000D-01, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.6400D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 7.6200D-01, 0.0000D+00, 6.1950D-01, 0.0000D+00, 1.0000D-01, & ! + \n & 0.0000D+00, 2.3000D-01, 0.0000D+00, 0.0000D+00, 1.0000D-01, & ! 4 \n & 4.1000D-01, 4.1000D-01, 8.5000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.5000D-01, 2.6000D-02, & ! 6 \n & 1.9100D-01, 2.5000D-01, 4.5000D-02, 2.1800D-01, 0.0000D+00, & ! + \n & 8.5400D-02, 4.8200D-02, 8.5400D-02, 2.5000D-01, 2.3850D-01, & ! 7 \n & 1.0000D+00, 9.1800D-01, 7.5000D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0100D+00, 2.5000D-01, 1.0000D-01, 1.0000D-01, 2.5000D-01, & ! 8 \n & 2.5000D-01, 2.5000D-01, 1.6600D+00, 5.0000D-01, 1.5000D+00, & ! + \n & 2.0300D-01, 0.0000D+00, 0.0000D+00, 6.8000D-01, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 9.3000D-01, 7.0000D-01, 0.0000D+00, & ! + \n & 5.0000D-01, 2.6000D-02, 1.9100D-01, 2.0000D-01, 9.4000D-01, & ! O \n & 2.9000D-01, 0.0000D+00, 8.5400D-02, 4.8200D-02, 8.5400D-02, & ! + \n & 2.1900D-01, 1.1650D-01, 1.0000D+00, 1.7500D-01, 1.0000D+00, & ! 1 \n & 1.0000D+00, 1.0000D+00, 5.4000D-01, 1.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 7.5000D-01, 3.3400D-01, 5.0000D-01, 5.0000D-01, & ! 2 \n & 5.0000D-01, 1.1600D+00, 3.0000D-02, 0.0000D+00, 0.0000D+00, & ! + \n & 6.8000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.2400D+00, & ! 3 \n & 7.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 5.0300D-01, 4.8500D-01, 2.0000D-01, 1.0000D+00, 1.0000D+00, & ! 4 \n & 1.0000D+00, 5.4880D-01, 7.0430D-01, 5.4880D-01, 3.1800D-01, & ! + \n & 3.7100D-01, 5.6000D-01, 1.6800D-01, 5.4000D-01, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 6.7000D-01, 0.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 3.0000D-02, 0.0000D+00, 0.0000D+00, & ! 6 \n & 6.8000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.6400D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 6.4000D-01, 2.8500D-01, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 4.8000D-01, 4.8000D-01, 4.8000D-01, & ! + \n & 4.8000D-01, 4.8000D-01, 4.8000D-01, 4.8000D-01, 4.8000D-01, & ! 8 \n & 4.8000D-01, 4.8000D-01, 4.8000D-01, 4.8000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 7.2000D-01, 6.8000D-01, & ! 9 \n & 3.5400D-01, 0.0000D+00, 8.9500D-01, 9.2500D-01, 0.0000D+00, & ! + \n & 4.6300D-01, 7.4000D-01, 8.0000D-02, 0.0000D+00, 0.0000D+00, & ! O \n & 7.5000D-01, 3.2000D-01, 3.4000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 8.6000D-01, 8.6000D-01, 8.6000D-01, & ! + \n & 8.6000D-01, 8.6000D-01, 0.0000D+00, 8.8000D-01, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 9.9800D-01, 4.7020D-01, 5.9500D-02, 5.9500D-02, 0.0000D+00, & ! 9 \n & 0.0000D+00, 9.9800D-01, 4.7020D-01, 5.9500D-02, 5.9500D-02, & ! + \n & 0.0000D+00, 0.0000D+00, 9.9800D-01, 4.7020D-01, 5.9500D-02, & ! O \n & 5.9500D-02, 2.5810D-01, 1.2100D-02, 2.1410D-01, 1.8400D-01, & ! + \n & 8.8000D-03, 7.2610D-01, 3.2000D-02, 1.1560D-01, 4.0000D-04, & ! 1 \n & 3.3490D-01, 1.0400D-02, 9.0000D-04, 4.8000D-02, 9.0000D-03, & ! + \n & 2.2400D-02, 3.9000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, 3.2000D-01, & ! + \n & 7.0000D-01/ ! 3 \n\n DATA ( SC( IRXXN, 5 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 4.3400D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 3.4000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 5.0000D-01, 5.0000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.5000D-01, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D-01, & ! + \n & 2.6000D-01, 0.0000D+00, 0.0000D+00, 1.8000D-01, 0.0000D+00, & ! 9 \n & 1.1000D-01, 0.0000D+00, 1.3000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D-01, 1.0000D-02, & ! + \n & 1.0000D-02, 0.0000D+00, 6.1900D-01, 5.8400D-01, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 4.1000D-01, 4.1000D-01, 4.1000D-01, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 2.1000D-01, 0.0000D+00, 3.7000D-01, 4.0000D-02, & ! 4 \n & 4.0000D-02, 6.5000D-03, 3.3000D-01, 2.0000D-02, 2.1000D-01, & ! + \n & 5.0000D-01, 5.6000D-01, 1.0000D-01, 1.5000D+00, 1.5000D+00, & ! 5 \n & 7.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 2.1000D-01, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 3.2000D-01, 3.3200D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 4.2400D-01, 4.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 9.3500D-01, & ! 8 \n & 8.6400D-01, 0.0000D+00, 4.4000D-01, 2.0000D-01, 9.9800D-01, & ! + \n & 9.9800D-01, 9.9800D-01, 9.9800D-01, 2.8400D-01, 0.0000D+00, & ! 9 \n & 1.5400D-01, 0.0000D+00, 4.3000D-01, 0.0000D+00, 5.0000D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 3.6000D-01, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 4.6000D-01, 6.5000D-01, 0.0000D+00, & ! + \n & 3.0000D-01, 2.7000D-01, 0.0000D+00, 0.0000D+00, 6.8000D-01, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 3.2250D-01, 0.0000D+00, 7.7000D-02, 0.0000D+00, 6.0000D-02, & ! + \n & 0.0000D+00, 2.7000D-01, 0.0000D+00, 0.0000D+00, 1.0000D-01, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.5000D-01, 8.2700D-01, & ! 6 \n & 7.7700D-01, 2.5000D-01, 2.5000D-01, 2.5000D-01, 1.0000D+00, & ! + \n & 5.4880D-01, 7.0430D-01, 5.4880D-01, 2.5000D-01, 8.4500D-02, & ! 7 \n & 0.0000D+00, 6.5900D-01, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 3.1000D-01, 1.0000D+00, 0.0000D+00, 0.0000D+00, 2.5000D-01, & ! 8 \n & 2.5000D-01, 2.5000D-01, 6.7000D-02, 2.5000D-01, 1.7500D+00, & ! + \n & 5.2500D-01, 0.0000D+00, 0.0000D+00, 6.8000D-01, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 3.4800D-01, 7.0000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 1.3000D-01, 4.2000D-02, 5.0000D-01, 6.0000D-02, & ! O \n & 5.0000D-01, 1.0000D+00, 5.4880D-01, 7.0430D-01, 5.4880D-01, & ! + \n & 3.0500D-01, 1.7250D-01, 0.0000D+00, 1.6800D-01, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 5.4000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 5.0000D-01, 0.0000D+00, 1.0000D+00, & ! 2 \n & 5.0000D-01, 1.0000D+00, 2.7000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 6.8000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.6400D-01, & ! 3 \n & 7.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 0.0000D+00, 1.8000D-01, 2.0000D-01, & ! 4 \n & 5.0000D-01, 3.6590D-01, 2.4750D-01, 3.6590D-01, 5.0000D-01, & ! + \n & 1.1650D-01, 0.0000D+00, 7.0000D-03, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 3.0000D-01, 2.7000D-01, 0.0000D+00, 0.0000D+00, & ! 6 \n & 6.8000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.4900D-01, 1.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 4.8000D-01, 4.8000D-01, 4.8000D-01, & ! + \n & 4.8000D-01, 4.8000D-01, 4.8000D-01, 4.8000D-01, 4.8000D-01, & ! 8 \n & 4.8000D-01, 4.8000D-01, 4.8000D-01, 4.8000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 6.2000D-01, 3.2000D-01, & ! 9 \n & 2.0400D-01, 0.0000D+00, 7.2000D-02, 7.5000D-02, 0.0000D+00, & ! + \n & 2.5000D-01, 7.4000D-01, 8.3000D-01, 0.0000D+00, 0.0000D+00, & ! O \n & 1.7000D-01, 8.0000D-02, 4.3000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 9.9800D-01, 4.7020D-01, 4.7020D-01, 4.7020D-01, 0.0000D+00, & ! 9 \n & 0.0000D+00, 9.9800D-01, 4.7020D-01, 4.7020D-01, 4.7020D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 9.9800D-01, 4.7020D-01, 4.7020D-01, & ! O \n & 4.7020D-01, 2.5810D-01, 1.5200D-02, 1.5300D-02, 1.8400D-01, & ! + \n & 3.1900D-02, 1.2200D-02, 1.8300D-02, 3.2500D-02, 7.4000D-02, & ! 1 \n & 8.0000D-03, 5.1300D-02, 5.2600D-02, 2.4600D-02, 1.4600D-02, & ! + \n & 5.0300D-02, 1.1400D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 3.0000D-01/ ! 3 \n\n DATA ( SC( IRXXN, 6 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 2.1600D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 6.7000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 5.0000D-01, 5.0000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 9.0000D-02, & ! + \n & 2.8000D-02, 0.0000D+00, 0.0000D+00, 5.1000D-01, 0.0000D+00, & ! 9 \n & 3.0000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D-02, 7.8000D-01, & ! + \n & 7.9000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 2.0000D-02, 0.0000D+00, 0.0000D+00, 2.0000D-02, & ! 4 \n & 9.0000D-02, 1.1050D-01, 3.3000D-01, 1.5000D-01, 2.0000D-02, & ! + \n & 4.5000D-01, 1.0000D-01, 2.4300D-01, 5.0000D-02, 5.0000D-02, & ! 5 \n & 2.5000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 2.0000D-02, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 6.8000D-01, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 5.0400D-01, & ! 8 \n & 1.8000D-02, 0.0000D+00, 6.0000D-02, 9.0000D-02, 0.0000D+00, & ! + \n & 8.5200D-02, 4.8100D-02, 8.5200D-02, 8.6500D-02, 0.0000D+00, & ! 9 \n & 7.0000D-03, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 5.4000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 7.0000D-01, 1.8000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 1.8850D-01, 0.0000D+00, 7.0000D-03, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.9800D-01, & ! 6 \n & 2.5100D-01, 0.0000D+00, 2.5000D-01, 2.5000D-01, 5.0000D-01, & ! + \n & 3.6590D-01, 2.4750D-01, 3.6590D-01, 2.5000D-01, 1.1050D-01, & ! 7 \n & 0.0000D+00, 5.3300D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 3.1000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.2500D-01, & ! 8 \n & 0.0000D+00, 0.0000D+00, 2.5000D-01, 2.5000D-01, 5.0000D-01, & ! + \n & 1.3500D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 2.5000D-01, 3.0000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 2.7300D-01, 3.8100D-01, 0.0000D+00, 5.0000D-01, & ! O \n & 0.0000D+00, 5.0000D-01, 3.6590D-01, 2.4750D-01, 3.6590D-01, & ! + \n & 5.0000D-01, 4.0300D-01, 0.0000D+00, 7.0000D-03, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 5.0000D-01, 2.3000D+00, 7.0000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 5.0000D-01, & ! 3 \n & 3.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 5.1900D-01, 2.4000D-02, 0.0000D+00, 2.0000D-02, 8.5000D-01, & ! 4 \n & 2.5000D-01, 3.6590D-01, 3.5220D-01, 4.5730D-01, 2.4000D-02, & ! + \n & 1.7250D-01, 0.0000D+00, 7.0000D-03, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 7.0000D-01, 7.0000D-01, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.5000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 4.0000D-02, 4.0000D-02, 4.8000D-01, & ! + \n & 4.0000D-02, 4.0000D-02, 4.8000D-01, 4.0000D-02, 4.0000D-02, & ! 8 \n & 4.8000D-01, 4.0000D-02, 4.0000D-02, 4.8000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 6.8000D-01, & ! 9 \n & 1.5000D-01, 0.0000D+00, 3.2000D-02, 0.0000D+00, 0.0000D+00, & ! + \n & 2.3100D-01, 1.8500D-01, 1.7000D-01, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 4.0000D-02, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 5.9400D-02, 4.7020D-01, 4.7020D-01, 4.7020D-01, 0.0000D+00, & ! 9 \n & 0.0000D+00, 5.9400D-02, 4.7020D-01, 4.7020D-01, 4.7020D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 4.6930D-01, 4.7020D-01, 4.7020D-01, & ! O \n & 4.7020D-01, 2.5810D-01, 6.2400D-02, 2.9800D-02, 1.8400D-01, & ! + \n & 7.6000D-03, 3.0500D-02, 1.1000D-03, 6.5700D-02, 4.5200D-02, & ! 1 \n & 1.1930D-01, 1.1180D-01, 4.8900D-02, 8.8100D-02, 7.0200D-02, & ! + \n & 2.2000D-03, 2.2660D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00/ ! 3 \n\n DATA ( SC( IRXXN, 7 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 6.7000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.2000D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 2.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 6.8000D-02, & ! 4 \n & 3.7000D-01, 1.1050D-01, 1.0000D-02, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 5.4000D-01, 8.0000D-02, 5.0000D-02, 5.0000D-02, & ! 5 \n & 2.5000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.3200D-01, & ! 8 \n & 4.5000D-02, 0.0000D+00, 1.3000D-01, 2.0000D-02, 9.9800D-01, & ! + \n & 5.4770D-01, 7.0290D-01, 5.4770D-01, 1.2850D-01, 0.0000D+00, & ! 9 \n & 7.0000D-03, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 3.0000D-01, 7.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 2.3800D-01, 0.0000D+00, 7.0000D-03, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.9700D-01, & ! 6 \n & 6.1800D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.5000D-01, & ! + \n & 3.6590D-01, 3.5220D-01, 4.5730D-01, 2.3000D-02, 1.8350D-01, & ! 7 \n & 0.0000D+00, 7.0000D-03, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 2.5000D-01, 0.0000D+00, 2.5000D-01, & ! + \n & 1.0500D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 2.5000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 6.6200D-01, 8.2400D-01, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 2.5000D-01, 3.6590D-01, 3.5220D-01, 4.5730D-01, & ! + \n & 0.0000D+00, 1.0000D+00, 0.0000D+00, 7.0000D-03, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 5.0000D-01, 1.8000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 1.4700D-01, 2.4100D-01, 0.0000D+00, 9.0000D-02, 4.0000D-02, & ! 4 \n & 2.5000D-01, 5.4880D-01, 5.9960D-01, 4.5730D-01, 3.3000D-02, & ! + \n & 4.0300D-01, 0.0000D+00, 1.7500D-01, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 3.0000D-01, 1.8000D-01, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.0000D-02, & ! + \n & 0.0000D+00, 0.0000D+00, 4.0000D-02, 0.0000D+00, 0.0000D+00, & ! 8 \n & 4.0000D-02, 0.0000D+00, 0.0000D+00, 4.0000D-02, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 2.7000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 3.7000D-02, 6.0000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 4.6930D-01, 4.7020D-01, 4.7020D-01, 4.7020D-01, 0.0000D+00, & ! 9 \n & 0.0000D+00, 4.6930D-01, 4.7020D-01, 4.7020D-01, 4.7020D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 4.6930D-01, 4.7020D-01, 4.7020D-01, & ! O \n & 4.7020D-01, 2.5810D-01, 3.8800D-02, 9.6000D-03, 1.8400D-01, & ! + \n & 1.9400D-02, 7.0000D-03, 6.6000D-02, 4.6000D-03, 6.3100D-02, & ! 1 \n & 7.5800D-02, 1.3000D-03, 1.5500D-01, 9.1600D-02, 1.5300D-02, & ! + \n & 8.7900D-02, 2.2660D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00/ ! 3 \n\n DATA ( SC( IRXXN, 8 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 3.4000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.3000D-01, & ! 4 \n & 2.6000D-02, 4.5900D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 7.0000D-02, 4.2000D-01, 8.0000D-02, 8.0000D-02, & ! 5 \n & 1.1000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.6500D-01, & ! 8 \n & 2.0300D-01, 0.0000D+00, 3.0000D-02, 5.0000D-02, 4.9900D-01, & ! + \n & 3.6510D-01, 2.4700D-01, 3.6510D-01, 3.0800D-01, 0.0000D+00, & ! 9 \n & 1.6450D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 2.1000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 1.0500D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 5.0000D-02, & ! 6 \n & 2.5000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.5000D-01, & ! + \n & 5.4880D-01, 5.9960D-01, 4.5730D-01, 1.8000D-02, 6.7000D-02, & ! 7 \n & 0.0000D+00, 1.1900D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 2.5000D-01, 0.0000D+00, 2.5000D-01, & ! + \n & 2.5000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 5.0000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 6.7000D-02, 5.0000D-01, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 2.5000D-01, 5.4880D-01, 5.9960D-01, 4.5730D-01, & ! + \n & 0.0000D+00, 1.0000D+00, 0.0000D+00, 1.7500D-01, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 1.0830D+00, 1.0500D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 7.5000D-02, 6.0000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.1000D-02, & ! + \n & 9.1000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 2.1000D-01, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 1.9000D-02, 1.5000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 4.6930D-01, 0.0000D+00, 4.7020D-01, 4.7020D-01, 0.0000D+00, & ! 9 \n & 0.0000D+00, 4.6930D-01, 0.0000D+00, 4.7020D-01, 4.7020D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 4.6930D-01, 0.0000D+00, 4.7020D-01, & ! O \n & 4.7020D-01, 2.5810D-01, 4.9100D-02, 1.8900D-02, 1.8400D-01, & ! + \n & 1.0400D-02, 2.9100D-02, 5.3500D-02, 3.0700D-02, 7.0000D-04, & ! 1 \n & 2.9200D-02, 1.3370D-01, 1.5500D-02, 7.3000D-03, 1.0380D-01, & ! + \n & 1.3840D-01, 2.2660D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00/ ! 3 \n\n DATA ( SC( IRXXN, 9 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.0000D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 1.4000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.0000D-02, & ! 4 \n & 1.0000D-02, 2.8050D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 7.0000D-02, 2.8000D-02, 6.5000D-01, 7.0000D-01, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.2000D-02, & ! 8 \n & 3.3000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.4950D-01, & ! + \n & 3.6510D-01, 3.5150D-01, 4.5640D-01, 7.1500D-02, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.5000D-01, & ! 6 \n & 2.5000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.6000D-02, 1.2790D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.9200D-01, & ! + \n & 2.5000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 5.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.1200D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 5.0000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 9.5000D-02, 6.3000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 1.1200D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 4.6930D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 4.6930D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 4.6930D-01, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 2.5810D-01, 3.9800D-02, 4.5600D-02, 1.8400D-01, & ! + \n & 5.1000D-02, 4.5400D-02, 2.4600D-02, 2.4000D-03, 6.0000D-04, & ! 1 \n & 7.6600D-02, 4.0300D-02, 1.0510D-01, 9.7200D-02, 3.1000D-03, & ! + \n & 1.4630D-01, 2.2660D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00/ ! 3 \n\n DATA ( SC( IRXXN, 10 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.4000D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.5000D-02, & ! 4 \n & 1.0000D-02, 1.7850D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0000D-01, 4.9100D-01, 0.0000D+00, 6.5000D-01, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 6.5000D-02, & ! 8 \n & 2.1700D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.4950D-01, & ! + \n & 5.4770D-01, 5.9840D-01, 4.5640D-01, 8.4000D-02, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.5000D-01, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 2.4700D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 4.6930D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 4.6930D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 2.5810D-01, 1.8300D-02, 3.1400D-02, 1.8400D-01, & ! + \n & 7.5000D-03, 2.3400D-02, 5.4000D-03, 3.9500D-02, 2.2700D-02, & ! 1 \n & 2.7700D-02, 5.1100D-02, 1.3000D-03, 4.5600D-02, 1.6500D-01, & ! + \n & 4.3200D-02, 2.2660D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00/ ! 3 \n\n DATA ( SC( IRXXN, 11 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.8000D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 6.0000D-03, & ! 4 \n & 9.0000D-02, 6.6500D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 3.0000D-03, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 3.3000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 4.8000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 3.0800D-02, 1.9900D-02, 1.8400D-01, & ! + \n & 5.1200D-02, 3.5200D-02, 1.0680D-01, 2.1500D-02, 5.8500D-02, & ! 1 \n & 1.1800D-02, 6.8000D-03, 5.3500D-02, 2.4000D-03, 1.5660D-01, & ! + \n & 9.5700D-02, 2.2660D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00/ ! 3 \n\n DATA ( SC( IRXXN, 12 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.5300D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.2000D-02, & ! 4 \n & 4.5700D-01, 3.8500D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 4.4000D-02, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 2.7200D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 2.7500D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 4.0000D-03, 4.5900D-02, 1.8400D-01, & ! + \n & 4.6200D-02, 6.2400D-02, 1.0680D-01, 5.3900D-02, 6.4900D-02, & ! 1 \n & 6.5100D-02, 2.3600D-02, 8.6000D-03, 4.7900D-02, 7.2400D-02, & ! + \n & 3.1600D-02, 2.2660D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00/ ! 3 \n\n DATA ( SC( IRXXN, 13 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 5.6000D-01, & ! 4 \n & 7.3000D-01, 2.8000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 1.3600D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 7.9400D-02, 4.5200D-02, 1.8400D-01, & ! + \n & 5.1200D-02, 5.1800D-02, 1.0680D-01, 5.1600D-02, 1.7400D-02, & ! 1 \n & 7.0900D-02, 2.9300D-02, 4.2600D-02, 7.4500D-02, 6.2000D-03, & ! + \n & 5.8500D-02, 2.2660D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00/ ! 3 \n\n DATA ( SC( IRXXN, 14 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D-02, & ! 4 \n & 1.1000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 7.9400D-02, 4.5500D-02, 0.0000D+00, & ! + \n & 1.3800D-02, 5.0900D-02, 1.0680D-01, 5.1900D-02, 1.5400D-02, & ! 1 \n & 6.6800D-02, 7.3300D-02, 5.8200D-02, 6.0700D-02, 1.3980D-01, & ! + \n & 5.7100D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00/ ! 3 \n\n DATA ( SC( IRXXN, 15 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.4000D-01, & ! 4 \n & 1.7000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 7.9400D-02, 3.2500D-02, 0.0000D+00, & ! + \n & 1.3500D-02, 3.4700D-02, 1.0680D-01, 3.7100D-02, 1.7000D-02, & ! 1 \n & 4.2300D-02, 5.2300D-02, 6.6100D-02, 1.5500D-02, 2.1600D-02, & ! + \n & 5.7100D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00/ ! 3 \n\n DATA ( SC( IRXXN, 16 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.0000D-02, & ! 4 \n & 4.4000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 7.9400D-02, 3.6900D-02, 0.0000D+00, & ! + \n & 6.4600D-02, 7.4800D-02, 1.0680D-01, 4.2100D-02, 8.1800D-02, & ! 1 \n & 9.1100D-02, 5.9500D-02, 5.0600D-02, 7.8600D-02, 3.8400D-02, & ! + \n & 5.7100D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00/ ! 3 \n\n DATA ( SC( IRXXN, 17 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.0000D-02, & ! 4 \n & 1.7000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 7.9400D-02, 2.6000D-03, 0.0000D+00, & ! + \n & 6.4600D-02, 1.6300D-02, 1.0680D-01, 1.0500D-02, 8.1800D-02, & ! 1 \n & 6.6000D-03, 4.1000D-03, 1.1400D-02, 7.8600D-02, 5.2600D-02, & ! + \n & 5.7100D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00/ ! 3 \n\n DATA ( SC( IRXXN, 18 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 6.0000D-02, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 7.9400D-02, 3.9000D-02, 0.0000D+00, & ! + \n & 6.4600D-02, 6.2000D-03, 1.0680D-01, 4.4500D-02, 8.1800D-02, & ! 1 \n & 2.5000D-03, 2.3000D-03, 6.9800D-02, 7.8600D-02, 5.2600D-02, & ! + \n & 5.7100D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00/ ! 3 \n\n DATA ( SC( IRXXN, 19 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D-02, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 7.9400D-02, 3.9000D-02, 0.0000D+00, & ! + \n & 6.4600D-02, 2.4400D-02, 1.0680D-01, 4.4500D-02, 8.1800D-02, & ! 1 \n & 2.9700D-02, 6.2800D-02, 6.9800D-02, 7.8600D-02, 5.2600D-02, & ! + \n & 5.7100D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00/ ! 3 \n\n DATA ( SC( IRXXN, 20 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.0000D-02, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 7.9400D-02, 3.9000D-02, 0.0000D+00, & ! + \n & 6.4600D-02, 2.4400D-02, 1.0680D-01, 4.4500D-02, 8.1800D-02, & ! 1 \n & 2.9700D-02, 6.2800D-02, 6.9800D-02, 7.8600D-02, 5.2600D-02, & ! + \n & 5.7100D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00/ ! 3 \n\n DATA ( SC( IRXXN, 21 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 6.0000D-02, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 7.9400D-02, 3.9000D-02, 0.0000D+00, & ! + \n & 6.4600D-02, 2.4400D-02, 1.0680D-01, 4.4500D-02, 8.1800D-02, & ! 1 \n & 2.9700D-02, 6.2800D-02, 6.9800D-02, 7.8600D-02, 5.2600D-02, & ! + \n & 5.7100D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00/ ! 3 \n\n DATA ( SC( IRXXN, 22 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 7.9400D-02, 3.9000D-02, 0.0000D+00, & ! + \n & 6.4600D-02, 2.4400D-02, 0.0000D+00, 4.4500D-02, 8.1800D-02, & ! 1 \n & 2.9700D-02, 6.2800D-02, 6.9800D-02, 7.8600D-02, 5.2600D-02, & ! + \n & 5.7100D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00/ ! 3 \n\n DATA ( SC( IRXXN, 23 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 7.9400D-02, 3.9000D-02, 0.0000D+00, & ! + \n & 6.4600D-02, 2.4400D-02, 0.0000D+00, 4.4500D-02, 8.1800D-02, & ! 1 \n & 2.9700D-02, 6.2800D-02, 6.9800D-02, 7.8600D-02, 5.2600D-02, & ! + \n & 1.5440D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00/ ! 3 \n\n DATA ( SC( IRXXN, 24 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.9000D-02, 0.0000D+00, & ! + \n & 6.4600D-02, 2.4400D-02, 0.0000D+00, 4.4500D-02, 8.1800D-02, & ! 1 \n & 2.9700D-02, 6.2800D-02, 6.9800D-02, 7.8600D-02, 5.2600D-02, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00/ ! 3 \n\n DATA ( SC( IRXXN, 25 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.9000D-02, 0.0000D+00, & ! + \n & 1.7530D-01, 2.4400D-02, 0.0000D+00, 4.4500D-02, 2.2200D-01, & ! 1 \n & 2.9700D-02, 6.2800D-02, 6.9800D-02, 1.7300D-01, 5.2600D-02, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00/ ! 3 \n\n DATA ( SC( IRXXN, 26 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.9000D-02, 0.0000D+00, & ! + \n & 0.0000D+00, 2.4400D-02, 0.0000D+00, 4.4500D-02, 0.0000D+00, & ! 1 \n & 2.9700D-02, 6.2800D-02, 6.9800D-02, 0.0000D+00, 1.2800D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00/ ! 3 \n\n DATA ( SC( IRXXN, 27 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 9.2500D-02, 0.0000D+00, & ! + \n & 0.0000D+00, 2.4400D-02, 0.0000D+00, 1.0550D-01, 0.0000D+00, & ! 1 \n & 2.9700D-02, 6.2800D-02, 1.6560D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00/ ! 3 \n\n DATA ( SC( IRXXN, 28 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 5.3700D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 6.5400D-02, 1.4890D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00/ ! 3 \n\n INTEGER :: NREACT( NRXNS )\n\n DATA ( NREACT( IRXXN ), IRXXN = 1, NRXNS ) / & \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! O \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! 1 \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! 2 \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! 3 \n & 2, 2, 2, 2, 1, 2, 1, 1, 1, 1, & ! 4 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 6 \n & 1, 1, 2, 1, 2, 2, 2, 1, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 9 \n & 1, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 1 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 2 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 1, 1, 2, 1, 2, 1, & ! 7 \n & 2, 1, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 9 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 1 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 2 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 9 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 1 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 2 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 1, 2, 2, 2, 2, & ! 9 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 1 \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 2, & ! 2 \n & 1, 1, 2, 2, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 1, 1, 1, 1, 1, 1, 1, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 9 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 1 \n & 2, 2, 2, 1, 1, 2, 2, 2, 2, 2, & ! 2 \n & 2/ ! 3 \n INTEGER :: NPRDCT( NRXNS )\n\n DATA ( NPRDCT( IRXXN ), IRXXN = 1, NRXNS ) / & \n & 1, 1, 1, 2, 1, 2, 2, 2, 4, 1, & ! O \n & 2, 3, 3, 2, 2, 6, 3, 3, 4, 3, & ! 1 \n & 3, 7, 4, 1, 2, 2, 3, 6, 6, 3, & ! 2 \n & 3, 3, 3, 3, 2, 4, 2, 2, 3, 2, & ! 3 \n & 1, 1, 1, 1, 1, 0, 1, 1, 1, 1, & ! 4 \n & 0, 1, 1, 1, 1, 1, 2, 1, 1, 1, & ! 5 \n & 1, 1, 1, 1, 2, 3, 1, 2, 1, 1, & ! 6 \n & 2, 1, 1, 2, 1, 3, 1, 1, 1, 2, & ! 7 \n & 2, 1, 1, 1, 5, 3, 3, 3, 3, 12, & ! 8 \n & 6, 4, 3, 6, 1, 10, 3, 5, 4, 4, & ! 9 \n & 2, 2, 2, 2, 2, 2, 2, 1, 1, 1, & ! O \n & 1, 1, 2, 2, 1, 2, 2, 2, 6, 6, & ! 1 \n & 6, 1, 5, 5, 1, 2, 2, 3, 2, 3, & ! 2 \n & 5, 5, 5, 1, 1, 2, 4, 3, 3, 2, & ! 3 \n & 2, 6, 2, 5, 21, 17, 13, 7, 6, 6, & ! 4 \n & 6, 10, 12, 9, 10, 8, 1, 2, 2, 2, & ! 5 \n & 2, 2, 6, 3, 2, 2, 6, 6, 3, 3, & ! 6 \n & 5, 5, 2, 2, 1, 1, 1, 2, 1, 2, & ! 7 \n & 1, 2, 3, 3, 10, 13, 4, 8, 8, 10, & ! 8 \n & 10, 10, 10, 10, 3, 8, 3, 5, 3, 5, & ! 9 \n & 3, 3, 5, 2, 2, 3, 4, 6, 5, 4, & ! O \n & 7, 8, 2, 2, 5, 2, 3, 3, 4, 3, & ! 1 \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! 2 \n & 1, 2, 2, 3, 3, 8, 1, 7, 1, 5, & ! 3 \n & 1, 5, 1, 3, 5, 4, 4, 4, 1, 1, & ! 4 \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! 5 \n & 1, 1, 3, 5, 10, 9, 5, 6, 6, 8, & ! 6 \n & 8, 8, 8, 9, 9, 4, 8, 5, 4, 4, & ! 7 \n & 6, 5, 4, 4, 6, 5, 5, 8, 6, 9, & ! 8 \n & 9, 3, 3, 5, 3, 3, 3, 8, 6, 2, & ! 9 \n & 4, 9, 8, 5, 6, 5, 8, 8, 8, 8, & ! O \n & 6, 9, 4, 8, 4, 4, 4, 5, 4, 1, & ! 1 \n & 2, 4, 5, 4, 5, 6, 8, 9, 2, 2, & ! 2 \n & 5, 3, 2, 3, 6, 6, 1, 1, 3, 3, & ! 3 \n & 9, 12, 4, 7, 7, 7, 7, 7, 7, 8, & ! 4 \n & 9, 4, 7, 4, 2, 2, 3, 4, 3, 4, & ! 5 \n & 4, 7, 8, 2, 2, 5, 2, 3, 3, 4, & ! 6 \n & 3, 2, 6, 5, 1, 1, 0, 6, 6, 7, & ! 7 \n & 6, 6, 7, 6, 6, 7, 6, 6, 7, 1, & ! 8 \n & 2, 2, 2, 5, 6, 7, 3, 6, 5, 1, & ! 9 \n & 8, 8, 6, 3, 3, 5, 5, 6, 2, 3, & ! O \n & 3, 1, 1, 2, 2, 2, 1, 1, 1, 3, & ! 1 \n & 1, 1, 1, 2, 0, 1, 0, 1, 1, 1, & ! 2 \n & 1, 2, 1, 1, 1, 1, 1, 1, 1, 3, & ! 3 \n & 3, 3, 3, 3, 3, 3, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 1, 1, 1, 1, 1, 1, 1, & ! 5 \n & 2, 2, 2, 2, 2, 2, 2, 4, 4, 4, & ! 6 \n & 4, 4, 3, 4, 3, 3, 3, 3, 3, 3, & ! 7 \n & 3, 1, 1, 1, 1, 1, 1, 1, 3, 3, & ! 8 \n & 10, 7, 8, 8, 3, 3, 10, 7, 8, 8, & ! 9 \n & 3, 3, 9, 7, 8, 8, 10, 23, 27, 13, & ! O \n & 25, 28, 21, 27, 25, 28, 28, 27, 25, 26, & ! 1 \n & 23, 13, 1, 2, 2, 1, 1, 4, 4, 4, & ! 2 \n & 5/ ! 3 \n\n INTEGER, PARAMETER :: MHETERO = 11\n INTEGER :: IHETERO( MHETERO,2 )\n\n DATA ( IHETERO( IRXXN,1 ), IRXXN = 1, MHETERO ) / & \n & 421, 422, 423, 424, 425, 426, 428, 429, 430, 431, & \n & 432/\n\n DATA ( IHETERO( IRXXN,2 ), IRXXN = 1, MHETERO ) / & \n & 1, 2, 3, 4, 5, 6, 7, 8, 9, 7, & \n & 7/\n\n INTEGER, PARAMETER :: NPHOTAB = 32\n CHARACTER( 16 ) :: PHOTAB( NPHOTAB )\n\n DATA ( PHOTAB( IRXXN ), IRXXN = 1, NPHOTAB ) / & \n & 'O3O3P_NASA06 ', 'O3O1D_NASA06 ', 'H2O2_RACM2 ', & \n & 'NO2_RACM2 ', 'NO3NO_RACM2 ', 'NO3NO2_RACM2 ', & \n & 'HONO_RACM2 ', 'HNO3_RACM2 ', 'HNO4_RACM2 ', & \n & 'HCHO_MOL_JPL19 ', 'HCHO_RAD_JPL19 ', 'CH3CHO_RACM2 ', & \n & 'ALD_JPL19 ', 'CH3COCH3A_JPL19 ', 'CH3COCH3B_JPL19 ', & \n & 'UALD_RACM2 ', 'MEK_JGR19 ', 'KET_JGR19 ', & \n & 'HKET_RACM2 ', 'MACR_RACM2 ', 'MVK_RACM2 ', & \n & 'GLYH2_RACM2 ', 'GLYF_RACM2 ', 'GLYHX_RACM2 ', & \n & 'MGLY_RACM2 ', 'BALD_RACM2 ', 'OP1_RACM2 ', & \n & 'PAA_RACM2 ', 'ONIT_RACM2 ', 'PAN1_RACM2 ', & \n & 'PAN2_RACM2 ', 'ACRO_09 '/\n\n INTEGER, PARAMETER :: NHETERO = 9\n CHARACTER( 16 ) :: HETERO( NHETERO )\n\n DATA ( HETERO( IRXXN ), IRXXN = 1, NHETERO ) / & \n & 'HETERO_GLY ', 'HETERO_MGLY ', 'HETERO_N2O5IJ ', &\n & 'HETERO_NO2 ', 'HETERO_HO2 ', 'HETERO_NO3 ', &\n & 'HETERO_IEPOX ', 'HETERO_ISO3NOSJ ', 'HETERO_ISO3OSJ '/\n\n CHARACTER( 16 ) :: RXLABEL( NRXNS )\n\n DATA ( RXLABEL( IRXXN ), IRXXN = 1, NRXNS ) / & \n & 'R001 ', 'R002 ', 'R003 ', & ! 0 \n & 'R004 ', 'R005 ', 'R006 ', & ! 1 \n & 'R007 ', 'R008 ', 'R009 ', & ! 2 \n & 'R010 ', 'R011 ', 'R012 ', & ! 3 \n & 'R013 ', 'R014 ', 'R014a ', & ! 4 \n & 'R015 ', 'TRP01 ', 'TRP02 ', & ! 5 \n & 'R016 ', 'R017 ', 'R018 ', & ! 6 \n & 'R019 ', 'R020 ', 'R021 ', & ! 7 \n & 'R022 ', 'R023 ', 'R024 ', & ! 8 \n & 'R025 ', 'R026 ', 'R027 ', & ! 9 \n & 'R028 ', 'R029 ', 'TRP03 ', & ! 0 \n & 'R029a ', 'R030 ', 'R031 ', & ! 1 \n & 'R032 ', 'R033 ', 'TRP55 ', & ! 2 \n & 'TRP56 ', 'R034 ', 'R035 ', & ! 3 \n & 'R036 ', 'R037 ', 'R038 ', & ! 4 \n & 'R039 ', 'R040 ', 'R041 ', & ! 5 \n & 'R042 ', 'R043 ', 'R044 ', & ! 6 \n & 'R045 ', 'R046 ', 'R047 ', & ! 7 \n & 'R048 ', 'R049 ', 'R050 ', & ! 8 \n & 'R051 ', 'R052 ', 'R053 ', & ! 9 \n & 'R054 ', 'R055 ', 'R056 ', & ! 0 \n & 'R057 ', 'R058 ', 'R059 ', & ! 1 \n & 'R060 ', 'R061 ', 'R062 ', & ! 2 \n & 'R063 ', 'R064 ', 'R065 ', & ! 3 \n & 'R066 ', 'R067 ', 'R068 ', & ! 4 \n & 'R069 ', 'R070 ', 'R071 ', & ! 5 \n & 'R072 ', 'R073 ', 'R074 ', & ! 6 \n & 'R076 ', 'R077 ', 'R078 ', & ! 7 \n & 'R080 ', 'ROCARO31 ', 'ROCARO41 ', & ! 8 \n & 'ROCARO51 ', 'ROCARO61 ', 'RAM01 ', & ! 9 \n & 'RAM02 ', 'RAM03 ', 'RAM04 ', & ! 0 \n & 'RAM05 ', 'RAM06 ', 'RAM07 ', & ! 1 \n & 'RAM08 ', 'RAM09 ', 'RAM10 ', & ! 2 \n & 'RAM11 ', 'RAM12 ', 'RAM13 ', & ! 3 \n & 'R087 ', 'R088 ', 'TRP04 ', & ! 4 \n & 'TRP05 ', 'R089 ', 'R090 ', & ! 5 \n & 'R091 ', 'R092 ', 'R093 ', & ! 6 \n & 'R094 ', 'R095 ', 'R096 ', & ! 7 \n & 'R097 ', 'R098 ', 'R099 ', & ! 8 \n & 'R100 ', 'R101 ', 'R102 ', & ! 9 \n & 'R103 ', 'R104 ', 'R105 ', & ! 0 \n & 'R106 ', 'R108 ', 'R109 ', & ! 1 \n & 'R110 ', 'R111 ', 'R112 ', & ! 2 \n & 'R113 ', 'R114 ', 'TRP06 ', & ! 3 \n & 'R114a ', 'R116 ', 'R117 ', & ! 4 \n & 'R118 ', 'R119 ', 'R120 ', & ! 5 \n & 'R121 ', 'R122 ', 'R123 ', & ! 6 \n & 'TRP07 ', 'TRP57 ', 'R126 ', & ! 7 \n & 'R127 ', 'R128 ', 'R131 ', & ! 8 \n & 'R132 ', 'TRP08 ', 'TRP09 ', & ! 9 \n & 'R133 ', 'R134 ', 'R135 ', & ! 0 \n & 'R136 ', 'R137 ', 'R138 ', & ! 1 \n & 'R140 ', 'R141 ', 'R142 ', & ! 2 \n & 'R143 ', 'R146 ', 'R147 ', & ! 3 \n & 'TRP10 ', 'R148 ', 'R149 ', & ! 4 \n & 'R150 ', 'R151 ', 'R152 ', & ! 5 \n & 'R153 ', 'R154 ', 'R155 ', & ! 6 \n & 'R156 ', 'R158 ', 'R159 ', & ! 7 \n & 'TRP11 ', 'TRP12 ', 'R166 ', & ! 8 \n & 'R167 ', 'R168 ', 'R169 ', & ! 9 \n & 'R170 ', 'R171 ', 'R172 ', & ! 0 \n & 'R173 ', 'R174 ', 'R175 ', & ! 1 \n & 'R177 ', 'R178 ', 'R179 ', & ! 2 \n & 'ROCARO33 ', 'ROCARO43 ', 'ROCARO53 ', & ! 3 \n & 'ROCARO63 ', 'R189 ', 'TRP13 ', & ! 4 \n & 'TRP14 ', 'TRP15 ', 'R190 ', & ! 5 \n & 'TRP16 ', 'TRP17 ', 'TRP18 ', & ! 6 \n & 'TRP19 ', 'TRP20 ', 'R191 ', & ! 7 \n & 'R192 ', 'R193 ', 'R194 ', & ! 8 \n & 'R195 ', 'R196 ', 'R197 ', & ! 9 \n & 'R198 ', 'R199 ', 'R200 ', & ! 0 \n & 'R201 ', 'R202 ', 'R203 ', & ! 1 \n & 'R204 ', 'R205 ', 'R206 ', & ! 2 \n & 'R207 ', 'R208 ', 'R209 ', & ! 3 \n & 'R210 ', 'R211 ', 'R212 ', & ! 4 \n & 'R213 ', 'R214 ', 'R215 ', & ! 5 \n & 'R217 ', 'R218 ', 'R219 ', & ! 6 \n & 'ROCARO32 ', 'ROCARO42 ', 'ROCARO52 ', & ! 7 \n & 'ROCARO62 ', 'R229 ', 'TRP21 ', & ! 8 \n & 'TRP22 ', 'TRP23 ', 'R230 ', & ! 9 \n & 'TRP24 ', 'TRP25 ', 'TRP26 ', & ! 0 \n & 'TRP27 ', 'TRP28 ', 'R231 ', & ! 1 \n & 'R232 ', 'R233 ', 'R234 ', & ! 2 \n & 'R235 ', 'R236 ', 'R237 ', & ! 3 \n & 'R238 ', 'R239 ', 'R240 ', & ! 4 \n & 'R241 ', 'R242 ', 'R243 ', & ! 5 \n & 'R244 ', 'R245 ', 'R246 ', & ! 6 \n & 'R247 ', 'R248 ', 'R249 ', & ! 7 \n & 'R250 ', 'R251 ', 'R253 ', & ! 8 \n & 'R254 ', 'R255 ', 'ROCARO35 ', & ! 9 \n & 'ROCARO45 ', 'ROCARO55 ', 'ROCARO65 ', & ! 0 \n & 'R264 ', 'R265 ', 'TRP29 ', & ! 1 \n & 'TRP30 ', 'TRP31 ', 'R266 ', & ! 2 \n & 'TRP32 ', 'TRP33 ', 'TRP34 ', & ! 3 \n & 'R267 ', 'R268 ', 'R269 ', & ! 4 \n & 'R270 ', 'R271 ', 'R272 ', & ! 5 \n & 'R273 ', 'R274 ', 'R275 ', & ! 6 \n & 'R276 ', 'R277 ', 'R278 ', & ! 7 \n & 'R279 ', 'R280 ', 'R281 ', & ! 8 \n & 'R282 ', 'R283 ', 'R284 ', & ! 9 \n & 'R285 ', 'R286 ', 'R287 ', & ! 0 \n & 'R289 ', 'R290 ', 'R291 ', & ! 1 \n & 'ROCARO36 ', 'ROCARO46 ', 'ROCARO56 ', & ! 2 \n & 'ROCARO66 ', 'R300 ', 'R301 ', & ! 3 \n & 'TRP35 ', 'TRP36 ', 'TRP37 ', & ! 4 \n & 'R302 ', 'TRP38 ', 'TRP39 ', & ! 5 \n & 'TRP40 ', 'R303 ', 'R304 ', & ! 6 \n & 'R305 ', 'R306 ', 'R307 ', & ! 7 \n & 'R308 ', 'R309 ', 'R310 ', & ! 8 \n & 'R311 ', 'R312 ', 'R313 ', & ! 9 \n & 'R314 ', 'R315 ', 'R316 ', & ! 0 \n & 'R317 ', 'R318 ', 'R319 ', & ! 1 \n & 'R320 ', 'R321 ', 'R322 ', & ! 2 \n & 'R323 ', 'R324 ', 'R325 ', & ! 3 \n & 'R327 ', 'R328 ', 'R329 ', & ! 4 \n & 'ROCARO34 ', 'ROCARO44 ', 'ROCARO54 ', & ! 5 \n & 'ROCARO64 ', 'R338 ', 'R339 ', & ! 6 \n & 'R340 ', 'TRP53 ', 'TRP54 ', & ! 7 \n & 'R341 ', 'R342 ', 'R343 ', & ! 8 \n & 'R344 ', 'R345 ', 'R346 ', & ! 9 \n & 'R347 ', 'R348 ', 'R349 ', & ! 0 \n & 'R350 ', 'R351 ', 'R352 ', & ! 1 \n & 'R353 ', 'R354 ', 'R355 ', & ! 2 \n & 'R356 ', 'R357 ', 'R358 ', & ! 3 \n & 'R359 ', 'R360 ', 'R361 ', & ! 4 \n & 'R362 ', 'R363 ', 'TRP41 ', & ! 5 \n & 'TRP42 ', 'TRP43 ', 'TRP44 ', & ! 6 \n & 'TRP45 ', 'TRP46 ', 'TRP47 ', & ! 7 \n & 'TRP48 ', 'TRP49 ', 'TRP50 ', & ! 8 \n & 'TRP51 ', 'TRP52 ', 'RAM17 ', & ! 9 \n & 'R001c ', 'R002c ', 'T17 ', & ! 0 \n & 'T18 ', 'T19 ', 'T20 ', & ! 1 \n & 'T10 ', 'T10a ', 'T10b ', & ! 2 \n & 'T10c ', 'T10d ', 'T10e ', & ! 3 \n & 'T11 ', 'T12 ', 'R003c ', & ! 4 \n & 'R004c ', 'R005c ', 'R006c ', & ! 5 \n & 'R007c ', 'R008c ', 'R010c ', & ! 6 \n & 'R011c ', 'R012c ', 'R013c ', & ! 7 \n & 'R014c ', 'R015c ', 'R016c ', & ! 8 \n & 'R017c ', 'R019c ', 'R020c ', & ! 9 \n & 'HET_GLY ', 'HET_MGLY ', 'HET_N2O5 ', & ! 0 \n & 'HET_NO2 ', 'HET_HO2 ', 'HET_NO3 ', & ! 1 \n & 'HAL_Ozone ', 'HET_IEPOX ', 'HET_ISO3TET ', & ! 2 \n & 'HET_IEPOXOS ', 'HET_IPX ', 'HET_INALD ', & ! 3 \n & 'ROCALK1c ', 'ROCALK2c ', 'ROCALK3c ', & ! 4 \n & 'ROCALK4c ', 'ROCALK5c ', 'ROCALK6c ', & ! 5 \n & 'HC1001 ', 'ROCALK7c ', 'ROCALK8c ', & ! 6 \n & 'ROCALK9c ', 'ROCALK10c ', 'ROCALK11c ', & ! 7 \n & 'ROCALK12c ', 'HC1002 ', 'ROCALK13c ', & ! 8 \n & 'ROCALK14c ', 'ROCALK15c ', 'ROCALK16c ', & ! 9 \n & 'ROCALK17c ', 'ROCALK18c ', 'HC1003 ', & ! 0 \n & 'ROCALK19c ', 'ROCALK20c ', 'ROCALK21c ', & ! 1 \n & 'ROCALK22c ', 'ROCALK23c ', 'ROCALK24c ', & ! 2 \n & 'HC1004 ', 'ROCALK25c ', 'ROCALK26c ', & ! 3 \n & 'ROCALK27c ', 'ROCALK28c ', 'ROCALK29c ', & ! 4 \n & 'ROCALK30c ', 'HC1005 ', 'ROCALK31c ', & ! 5 \n & 'ROCALK32c ', 'ROCALK33c ', 'ROCALK34c ', & ! 6 \n & 'ROCALK35c ', 'ROCALK36c ', 'HC1006 ', & ! 7 \n & 'ROCALK37c ', 'ROCALK38c ', 'ROCALK39c ', & ! 8 \n & 'ROCALK40c ', 'ROCALK41c ', 'ROCALK42c ', & ! 9 \n & 'HC1007 ', 'ROCALK43c ', 'ROCALK44c ', & ! 0 \n & 'ROCALK45c ', 'ROCALK46c ', 'ROCALK47c ', & ! 1 \n & 'ROCALK48c ', 'HC1008 ', 'ROCARO01 ', & ! 2 \n & 'ROCARO02 ', 'ROCARO03 ', 'ROCARO04 ', & ! 3 \n & 'ROCARO05 ', 'ROCARO06 ', 'ROCARO11 ', & ! 4 \n & 'ROCARO12 ', 'ROCARO13 ', 'ROCARO14 ', & ! 5 \n & 'ROCARO15 ', 'ROCARO16 ', 'ROCARO21 ', & ! 6 \n & 'ROCARO22 ', 'ROCARO23 ', 'ROCARO24 ', & ! 7 \n & 'ROCARO25 ', 'ROCARO26 ', 'ROCOXY1c ', & ! 8 \n & 'ROCOXY2c ', 'ROCOXY3c ', 'ROCOXY4c ', & ! 9 \n & 'ROCOXY5c ', 'ROCOXY6c ', 'ROCOXY7c ', & ! 0 \n & 'ROCOXY8c ', 'ROCOXY9c ', 'ROCOXY10c ', & ! 1 \n & 'ROCOXY11c ', 'ROCOXY12c ', 'ROCOXY13c ', & ! 2 \n & 'ROCOXY14c ', 'ROCOXY15c ', 'ROCOXY16c ', & ! 3 \n & 'R364 ', 'TRP58 ', 'TRP59 ', & ! 4 \n & 'ROCARO71 ', 'ROCARO72 ', 'ROCARO73 ', & ! 5 \n & 'ROCARO74 ', 'ROCARO75 ', 'ROCARO76 '/! 6 \n\n! NSPECIAL = Number of special rate coefficients\n! SPECIAL = Names of special rate coefficients\n! NSPECIAL_RXN = Number of reactions with special rates\n! ISPECIAL = Pointers to reactions using special rates and their special rate coefficients\n! MAXSPECTERMS = Max Number of terms type used by special rate coefficients\n! KC_COEFFS = Coefficients of standard rate coefficients times concentration terms \n! INDEX_KTERMS = Pointers to standard rate coefficients in special rate coefficients\n! INDEX_CTERMS = Pointers to species concentrations in special rate coefficients\n! OPERATOR_COEFFS = Coefficients of preceeding special rate coefficients used in special coefficient \n! OPERATORS = Pointers to preceeding special rate coefficients used in special coefficient \n\n! Special Rate information not available ..\n INTEGER, PARAMETER :: NSPECIAL_RXN = 0\n INTEGER :: ISPECIAL( 1, 2 )\n\n! Special Rate information not available ...\n INTEGER, PARAMETER :: NSPECIAL = 0\n\n! Special Rate information not available ...\n CHARACTER( 16 ) :: SPECIAL( 1 )\n\n INTEGER, PARAMETER :: MAXSPECTERMS = 1\n REAL( 8 ) :: KC_COEFFS( NSPECIAL + 1, MAXSPECTERMS)\n INTEGER :: INDEX_KTERMS( NSPECIAL + 1, MAXSPECTERMS)\n INTEGER :: INDEX_CTERMS( NSPECIAL + 1, MAXSPECTERMS)\n REAL( 8 ) :: OPERATOR_COEFFS( NSPECIAL + 1, MAXSPECTERMS)\n INTEGER :: OPERATORS( NSPECIAL + 1, MAXSPECTERMS)\n\n\n! Steady-state species section\n! N_SS_SPC = Number of species assumed to be in steady-state\n! SS_SPC_DIM = Dimension paramete for steady-state species\n! SS_SPC = Names of species assumed to be in steady-state\n! MAX_SS_LOSS = Max no. of SS loss rxns for any SS species\n! MAX_SS_PROD = Max no. of SS prod rxns for any SS species\n! N_LOSS_RXNS = No. of SS loss rxns for each SS species\n! N_PROD_RXNS = No. of SS prod rxns for each SS species\n! SS_LOSS_RXNS = List of SS loss rxns for each SS species\n! SS_PROD_RXNS = List of SS prod rxns for each SS species\n! SS_PROD_COEF = List of SS prod yields for each SS species\n! SS_RCT_IND = SS species index if it is a rxn reactant\n\n INTEGER, PARAMETER :: N_SS_SPC = 0\n\n INTEGER, PARAMETER :: SS_SPC_DIM = 1\n\n INTEGER, PARAMETER :: MAX_SS_LOSS = 0\n\n INTEGER, PARAMETER :: MAX_SS_PROD = 0\n\n CHARACTER( 16 ) :: SS_SPC( 1 )\n\n INTEGER :: N_LOSS_RXNS( 1 )\n INTEGER :: N_PROD_RXNS( 1 )\n INTEGER :: SS_LOSS_RXNS( 1, 1 )\n INTEGER :: SS_PROD_RXNS( 1, 1 )\n INTEGER :: SS_RCT_IND( 1 )\n\n REAL :: SS_PROD_COEF( 1,1 ) \n LOGICAL, PARAMETER :: USE_SPECIAL_RATES = .FALSE.\n! pointers and names to specific photolysis rates\n INTEGER, PARAMETER :: IJ_O3O3P_NASA06 = 1\n INTEGER, PARAMETER :: IJ_O3O1D_NASA06 = 2\n INTEGER, PARAMETER :: IJ_H2O2_RACM2 = 3\n INTEGER, PARAMETER :: IJ_NO2_RACM2 = 4\n INTEGER, PARAMETER :: IJ_NO3NO_RACM2 = 5\n INTEGER, PARAMETER :: IJ_NO3NO2_RACM2 = 6\n INTEGER, PARAMETER :: IJ_HONO_RACM2 = 7\n INTEGER, PARAMETER :: IJ_HNO3_RACM2 = 8\n INTEGER, PARAMETER :: IJ_HNO4_RACM2 = 9\n INTEGER, PARAMETER :: IJ_HCHO_MOL_JPL19 = 10\n INTEGER, PARAMETER :: IJ_HCHO_RAD_JPL19 = 11\n INTEGER, PARAMETER :: IJ_CH3CHO_RACM2 = 12\n INTEGER, PARAMETER :: IJ_ALD_JPL19 = 13\n INTEGER, PARAMETER :: IJ_CH3COCH3A_JPL19 = 14\n INTEGER, PARAMETER :: IJ_CH3COCH3B_JPL19 = 15\n INTEGER, PARAMETER :: IJ_UALD_RACM2 = 16\n INTEGER, PARAMETER :: IJ_MEK_JGR19 = 17\n INTEGER, PARAMETER :: IJ_KET_JGR19 = 18\n INTEGER, PARAMETER :: IJ_HKET_RACM2 = 19\n INTEGER, PARAMETER :: IJ_MACR_RACM2 = 20\n INTEGER, PARAMETER :: IJ_MVK_RACM2 = 21\n INTEGER, PARAMETER :: IJ_GLYH2_RACM2 = 22\n INTEGER, PARAMETER :: IJ_GLYF_RACM2 = 23\n INTEGER, PARAMETER :: IJ_GLYHX_RACM2 = 24\n INTEGER, PARAMETER :: IJ_MGLY_RACM2 = 25\n INTEGER, PARAMETER :: IJ_BALD_RACM2 = 26\n INTEGER, PARAMETER :: IJ_OP1_RACM2 = 27\n INTEGER, PARAMETER :: IJ_PAA_RACM2 = 28\n INTEGER, PARAMETER :: IJ_ONIT_RACM2 = 29\n INTEGER, PARAMETER :: IJ_PAN1_RACM2 = 30\n INTEGER, PARAMETER :: IJ_PAN2_RACM2 = 31\n INTEGER, PARAMETER :: IJ_ACRO_09 = 32\n INTEGER, PARAMETER :: IK_HETERO_GLY = 1\n INTEGER, PARAMETER :: IK_HETERO_MGLY = 2\n INTEGER, PARAMETER :: IK_HETERO_N2O5IJ = 3\n INTEGER, PARAMETER :: IK_HETERO_NO2 = 4\n INTEGER, PARAMETER :: IK_HETERO_HO2 = 5\n INTEGER, PARAMETER :: IK_HETERO_NO3 = 6\n INTEGER, PARAMETER :: IK_HETERO_IEPOX = 7\n INTEGER, PARAMETER :: IK_HETERO_ISO3NOSJ = 8\n INTEGER, PARAMETER :: IK_HETERO_ISO3OSJ = 9\n END MODULE RXNS_DATA\n" }, { "path": "CCTM/src/MECHS/cracmm2/RXNS_FUNC_MODULE.F90", "content": " MODULE RXNS_FUNCTION\n\n\n IMPLICIT NONE\n\n\n\n! Name of Mechanism CRACMM2\n\n PUBLIC :: CALC_RCONST, SPECIAL_RATES, MAP_CHEMISTRY_SPECIES\n\n CONTAINS\n\n\n REAL( 8 ) FUNCTION POWER_T02( TEMPOT300,A0,B0 )\n IMPLICIT NONE\n! rate constant for CMAQ Arrhenuis reaction type 2\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: TEMPOT300\n REAL( 8 ), INTENT( IN ) :: A0\n REAL( 8 ), INTENT( IN ) :: B0\n ! Local: None\n POWER_T02 = A0 * TEMPOT300**B0\n RETURN\n END FUNCTION POWER_T02\n REAL( 8 ) FUNCTION ARRHENUIS_T04( INV_TEMP,TEMPOT300,A0,B0,C0 )\n IMPLICIT NONE\n! rate constant for CMAQ Arrhenuis reaction type 4\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: INV_TEMP\n REAL( 8 ), INTENT( IN ) :: TEMPOT300\n REAL( 8 ), INTENT( IN ) :: A0\n REAL( 8 ), INTENT( IN ) :: B0\n REAL( 8 ), INTENT( IN ) :: C0\n ! Local:\n INTRINSIC DEXP\n ARRHENUIS_T04 = A0 * DEXP( B0 * INV_TEMP ) * TEMPOT300**C0\n RETURN\n END FUNCTION ARRHENUIS_T04\n REAL( 8 ) FUNCTION ARRHENUIS_T03( INV_TEMP,A0,B0 )\n! rate constant for CMAQ Arrhenuis reaction type 3\n IMPLICIT NONE\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: INV_TEMP\n REAL( 8 ), INTENT(IN) :: A0\n REAL( 8 ), INTENT(IN) :: B0\n ! Local:\n INTRINSIC DEXP\n ARRHENUIS_T03 = A0 * DEXP( B0 * INV_TEMP )\n RETURN\n END FUNCTION ARRHENUIS_T03 \n REAL( 8 ) FUNCTION FALLOFF_T08(INV_TEMP,CAIR,A0,C0,A2,C2,A3,C3)\n! rate constant for CMAQ fall off reaction type 8\n IMPLICIT NONE\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: INV_TEMP\n REAL( 8 ), INTENT( IN ) :: CAIR\n REAL( 8 ), INTENT( IN ) :: A0\n REAL( 8 ), INTENT( IN ) :: C0\n REAL( 8 ), INTENT( IN ) :: A2\n REAL( 8 ), INTENT( IN ) :: C2\n REAL( 8 ), INTENT( IN ) :: A3\n REAL( 8 ), INTENT( IN ) :: C3\n ! Local:\n REAL( 8 ) K0\n REAL( 8 ) K2\n REAL( 8 ) K3\n INTRINSIC DEXP\n K0 = A0 * DEXP( C0 * INV_TEMP )\n K2 = A2 * DEXP( C2 * INV_TEMP )\n K3 = A3 * DEXP( C3 * INV_TEMP )\n K3 = K3 * CAIR\n FALLOFF_T08 = K0 + K3/( 1.0D0 + K3/K2 )\n RETURN\n END FUNCTION FALLOFF_T08\n REAL( 8 ) FUNCTION FALLOFF_T09(INV_TEMP,CAIR,A1,C1,A2,C2)\n! rate constant for CMAQ fall off reaction type 9\n IMPLICIT NONE\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: INV_TEMP\n REAL( 8 ), INTENT( IN ) :: CAIR\n REAL( 8 ), INTENT( IN ) :: A1\n REAL( 8 ), INTENT( IN ) :: C1\n REAL( 8 ), INTENT( IN ) :: A2\n REAL( 8 ), INTENT( IN ) :: C2\n ! Local:\n REAL( 8 ) K1\n REAL( 8 ) K2\n INTRINSIC DEXP\n K1 = A1 * DEXP( C1 * INV_TEMP )\n K2 = A2 * DEXP( C2 * INV_TEMP )\n FALLOFF_T09 = K1 + K2 * CAIR\n RETURN\n END FUNCTION FALLOFF_T09\n REAL( 8 ) FUNCTION FALLOFF_T10(INV_TEMP,TEMPOT300,CAIR,A0,B0,C0,A1,B1,C1,CE,CF)\n IMPLICIT NONE\n! rate constant for CMAQ fall off reaction type 10\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: INV_TEMP\n REAL( 8 ), INTENT( IN ) :: TEMPOT300\n REAL( 8 ), INTENT( IN ) :: CAIR\n REAL( 8 ), INTENT( IN ) :: A0\n REAL( 8 ), INTENT( IN ) :: B0\n REAL( 8 ), INTENT( IN ) :: C0\n REAL( 8 ), INTENT( IN ) :: A1\n REAL( 8 ), INTENT( IN ) :: B1\n REAL( 8 ), INTENT( IN ) :: C1\n REAL( 8 ), INTENT( IN ) :: CE\n REAL( 8 ), INTENT( IN ) :: CF\n ! Local:\n REAL( 8 ) K0\n REAL( 8 ) K1\n REAL( 8 ) KEND\n K0 = A0 * CAIR * DEXP(B0*INV_TEMP)* TEMPOT300**C0\n K1 = A1 * DEXP(B1*INV_TEMP) * TEMPOT300**C1\n KEND = ( ( 1.0D0 + ( ( 1.0D0 / CE ) * DLOG10( K0 / K1 ) ) ** 2.0D0 ) )\n KEND = 1.0D0 / KEND\n FALLOFF_T10 = ( K0 / ( 1.0D0 + K0/K1 ) ) * CF ** KEND\n RETURN\n END FUNCTION FALLOFF_T10\n REAL( 8 ) FUNCTION FALLOFF_T11(INV_TEMP,TEMPOT300,CAIR,A1,B1,C1,A2, B2, C2, D1, D2)\n! rate constant for CMAQ fall off reaction type 11\n! actually expanded form of type 9\n IMPLICIT NONE\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: INV_TEMP\n REAL( 8 ), INTENT( IN ) :: TEMPOT300\n REAL( 8 ), INTENT( IN ) :: CAIR\n REAL( 8 ), INTENT( IN ) :: A1\n REAL( 8 ), INTENT( IN ) :: B1\n REAL( 8 ), INTENT( IN ) :: C1\n REAL( 8 ), INTENT( IN ) :: A2\n REAL( 8 ), INTENT( IN ) :: B2\n REAL( 8 ), INTENT( IN ) :: C2\n REAL( 8 ), INTENT( IN ) :: D1\n REAL( 8 ), INTENT( IN ) :: D2\n ! Local:\n REAL( 8 ) K1\n REAL( 8 ) K2\n REAL( 8 ) K3\n INTRINSIC DEXP\n K1 = A1 * DEXP( C1 * INV_TEMP ) * TEMPOT300**B1\n K2 = A2 * DEXP( C2 * INV_TEMP ) * TEMPOT300**B2\n K3 = D1 * DEXP( D2 * INV_TEMP )\n FALLOFF_T11 = K1 + K2 * CAIR + K3\n RETURN\n END FUNCTION FALLOFF_T11\n REAL( 8 ) FUNCTION HALOGEN_FALLOFF(PRESS,A1,B1,A2,B2,A3)\n IMPLICIT NONE\n REAL( 8 ), INTENT( IN ) :: PRESS\n REAL( 8 ), INTENT( IN ) :: A1\n REAL( 8 ), INTENT( IN ) :: B1\n REAL( 8 ), INTENT( IN ) :: A2\n REAL( 8 ), INTENT( IN ) :: B2\n REAL( 8 ), INTENT( IN ) :: A3 ! Maximum loss rate (1/sec)\n INTRINSIC DEXP\n HALOGEN_FALLOFF = A1 * DEXP( B1 * PRESS ) + A2 * DEXP( B2 * PRESS )\n HALOGEN_FALLOFF = DMIN1 (A3, HALOGEN_FALLOFF )\n RETURN\n END FUNCTION HALOGEN_FALLOFF\n\n SUBROUTINE SPECIAL_RATES( NUMCELLS, Y, TEMP, DENS, RKI )\n! Purpose: calculate special rate operators and update\n! appropriate rate constants\n\n USE RXNS_DATA\n IMPLICIT NONE\n\n! Arguments:\n INTEGER, INTENT( IN ) :: NUMCELLS ! Number of cells in block \n REAL( 8 ), INTENT( IN ) :: Y( :, : ) ! species concs\n REAL( 8 ), INTENT( IN ) :: TEMP( : ) ! air temperature, K \n REAL( 8 ), INTENT( IN ) :: DENS( : ) ! air density, Kg/m3\n REAL( 8 ), INTENT( INOUT ) :: RKI( :, : ) ! reaction rate constant, ppm/min \n! Local:\n REAL( 8 ), PARAMETER :: DENSITY_TO_NUMBER = 2.07930D+19 ! Kg/m3 to molecules/cm3\n\n INTEGER :: NCELL\n REAL( 8 ) :: INV_TEMP\n REAL( 8 ) :: CAIR\n REAL( 8 ) :: CFACT ! scales operator if not multiplied by RKI, cm^3/(molecule) to 1/(ppm)\n REAL( 8 ) :: CFACT_SQU ! scales operator if not multiplied by RKI, cm^6/(molec^2) to 1/(ppm^2)\n! special rate operators listed below\n\n\n\n DO NCELL = 1, NUMCELLS\n INV_TEMP = 1.0D0 / TEMP( NCELL )\n CAIR = DENSITY_TO_NUMBER * DENS( NCELL )\n CFACT = 1.0D-06 * CAIR\n CFACT_SQU = 1.0D-12 * CAIR * CAIR\n\n\n! define special rate operators\n\n\n! define rate constants in terms of special rate operators \n\n END DO\n\n RETURN\n END SUBROUTINE SPECIAL_RATES\n \n SUBROUTINE CALC_RCONST( BLKTEMP, BLKPRES, BLKH2O, RJBLK, BLKHET, LSUNLIGHT, SEAWATER, RKI, NUMCELLS )\n\n!**********************************************************************\n\n! Function: To compute thermal and photolytic reaction rate\n! coefficients for each reaction.\n\n! Preconditions: Photolysis rates for individual species must have\n! been calculated and stored in RJPHOT. Expects\n! temperature in deg K, pressure in atm., water\n! vapor in ppmV, and J-values in /min.\n! Key Subroutines/Functions Called: POWER_02, ARRHRENUIS_T0*, FALLOFF_T*, HALOGEN_FALLOFF \n!***********************************************************************\n\n\n\n\n USE RXNS_DATA\n\n IMPLICIT NONE \n\n! Arguements: None \n\n REAL( 8 ), INTENT( IN ) :: BLKTEMP( : ) ! temperature, deg K \n REAL( 8 ), INTENT( IN ) :: BLKPRES( : ) ! pressure, Atm\n REAL( 8 ), INTENT( IN ) :: BLKH2O ( : ) ! water mixing ratio, ppm \n REAL( 8 ), INTENT( IN ) :: RJBLK ( :, : ) ! photolysis rates, 1/min \n REAL( 8 ), INTENT( IN ) :: BLKHET ( :, : ) ! heterogeneous rate constants, ???/min\n INTEGER, INTENT( IN ) :: NUMCELLS ! Number of cells in block \n LOGICAL, INTENT( IN ) :: LSUNLIGHT ! Is there sunlight? \n REAL( 8 ), INTENT( IN ) :: SEAWATER( : ) ! fractional area of OPEN+SURF \n REAL( 8 ), INTENT( OUT ) :: RKI ( :, : ) ! reaction rate constant, ppm/min \n!..Parameters: \n\n REAL( 8 ), PARAMETER :: COEF1 = 7.33981D+15 ! Molec/cc to ppm conv factor \n REAL( 8 ), PARAMETER :: CONSTC = 0.6D+0 ! Constant for reaction type 7\n REAL( 8 ), PARAMETER :: TI300 = 1.0D+0/300.0D+0 ! reciprocal of 300 deg K\n REAL( 8 ), PARAMETER :: SFACT = 60.D+0 ! seconds per minute \n!..External Functions: None\n\n!..Local Variables:\n\n INTEGER :: NRT ! Loop index for reaction types \n INTEGER :: IRXN ! Reaction number\n INTEGER :: JNUM ! J-value species # from PHOT)\n INTEGER :: KNUM ! Reaction # for a relative rate coeff.\n INTEGER :: N ! Loop index for reactions\n INTEGER :: NCELL ! Loop index for # of cells in the block\n REAL( 8 ) :: CAIR ! air number density (wet) [molec/cm^3]\n REAL( 8 ) :: CFACT ! Convertor cm^3/(molec*sec) to 1/(ppm*min)\n REAL( 8 ) :: CFACT_SQU ! Convertor cm^6/(molec^2*sec) to 1/(ppm^2*min)\n REAL( 8 ) :: INV_CFACT ! ppm/min to molec/(cm^3*sec)\n REAL( 8 ) :: TEMPOT300 ! temperature divided by 300 K, dimensionaless \n REAL( 8 ) :: INV_TEMP ! reciprocal of air temperature, K-1\n REAL( 8 ) :: INV_CAIR ! reciprocal of air number density (wet), [cm^3/molec]\n REAL( 8 ) :: TEMP ! air temperature, K\n REAL( 8 ) :: PRESS ! pressure [Atm] \n REAL( 8 ) :: INV_RFACT ! ppm/min to molec/(cm^3*min)\n REAL( 8 ) :: RFACT_SQU ! cm^6/(molec^2*min) to 1/(ppm^2*min)\n REAL( 8 ) :: RFACT ! cm^3/(molec*min) to 1/(ppm*min)\n REAL( 8 ) :: H2O ! concentration, [molec/cm^3] \n\n RKI = 0.0D0 \n\n! All rate constants converted from molec/cm3 to ppm\n! and 1/sec to 1/min\n\n IF( LSUNLIGHT )THEN \n DO NCELL = 1, NUMCELLS \n\n! Reaction Label R001 \n RKI( NCELL, 1) = RJBLK( NCELL, IJ_O3O3P_NASA06 )\n! Reaction Label R002 \n RKI( NCELL, 2) = RJBLK( NCELL, IJ_O3O1D_NASA06 )\n! Reaction Label R003 \n RKI( NCELL, 3) = RJBLK( NCELL, IJ_H2O2_RACM2 )\n! Reaction Label R004 \n RKI( NCELL, 4) = RJBLK( NCELL, IJ_NO2_RACM2 )\n! Reaction Label R005 \n RKI( NCELL, 5) = RJBLK( NCELL, IJ_NO3NO_RACM2 )\n! Reaction Label R006 \n RKI( NCELL, 6) = RJBLK( NCELL, IJ_NO3NO2_RACM2 )\n! Reaction Label R007 \n RKI( NCELL, 7) = RJBLK( NCELL, IJ_HONO_RACM2 )\n! Reaction Label R008 \n RKI( NCELL, 8) = RJBLK( NCELL, IJ_HNO3_RACM2 )\n! Reaction Label R009 \n RKI( NCELL, 9) = RJBLK( NCELL, IJ_HNO4_RACM2 )\n! Reaction Label R010 \n RKI( NCELL, 10) = RJBLK( NCELL, IJ_HCHO_MOL_JPL19 )\n! Reaction Label R011 \n RKI( NCELL, 11) = RJBLK( NCELL, IJ_HCHO_RAD_JPL19 )\n! Reaction Label R012 \n RKI( NCELL, 12) = RJBLK( NCELL, IJ_CH3CHO_RACM2 )\n! Reaction Label R013 \n RKI( NCELL, 13) = RJBLK( NCELL, IJ_ALD_JPL19 )\n! Reaction Label R014 \n RKI( NCELL, 14) = RJBLK( NCELL, IJ_CH3COCH3A_JPL19 )\n! Reaction Label R014a \n RKI( NCELL, 15) = RJBLK( NCELL, IJ_CH3COCH3B_JPL19 )\n! Reaction Label R015 \n RKI( NCELL, 16) = RJBLK( NCELL, IJ_UALD_RACM2 )\n! Reaction Label TRP01 \n RKI( NCELL, 17) = RJBLK( NCELL, IJ_ALD_JPL19 )\n! Reaction Label TRP02 \n RKI( NCELL, 18) = RJBLK( NCELL, IJ_ALD_JPL19 )\n! Reaction Label R016 \n RKI( NCELL, 19) = RJBLK( NCELL, IJ_MEK_JGR19 )\n! Reaction Label R017 \n RKI( NCELL, 20) = RJBLK( NCELL, IJ_KET_JGR19 )\n! Reaction Label R018 \n RKI( NCELL, 21) = RJBLK( NCELL, IJ_HKET_RACM2 )\n! Reaction Label R019 \n RKI( NCELL, 22) = RJBLK( NCELL, IJ_MACR_RACM2 )\n! Reaction Label R020 \n RKI( NCELL, 23) = RJBLK( NCELL, IJ_MVK_RACM2 )\n! Reaction Label R021 \n RKI( NCELL, 24) = RJBLK( NCELL, IJ_GLYH2_RACM2 )\n! Reaction Label R022 \n RKI( NCELL, 25) = RJBLK( NCELL, IJ_GLYF_RACM2 )\n! Reaction Label R023 \n RKI( NCELL, 26) = RJBLK( NCELL, IJ_GLYHX_RACM2 )\n! Reaction Label R024 \n RKI( NCELL, 27) = RJBLK( NCELL, IJ_MGLY_RACM2 )\n! Reaction Label R025 \n RKI( NCELL, 28) = RJBLK( NCELL, IJ_MGLY_RACM2 )\n! Reaction Label R026 \n RKI( NCELL, 29) = RJBLK( NCELL, IJ_MGLY_RACM2 )\n! Reaction Label R027 \n RKI( NCELL, 30) = RJBLK( NCELL, IJ_BALD_RACM2 )\n! Reaction Label R028 \n RKI( NCELL, 31) = RJBLK( NCELL, IJ_OP1_RACM2 )\n! Reaction Label R029 \n RKI( NCELL, 32) = RJBLK( NCELL, IJ_OP1_RACM2 )\n! Reaction Label TRP03 \n RKI( NCELL, 33) = RJBLK( NCELL, IJ_OP1_RACM2 )\n! Reaction Label R029a \n RKI( NCELL, 34) = RJBLK( NCELL, IJ_OP1_RACM2 )\n! Reaction Label R030 \n RKI( NCELL, 35) = RJBLK( NCELL, IJ_PAA_RACM2 )\n! Reaction Label R031 \n RKI( NCELL, 36) = RJBLK( NCELL, IJ_ONIT_RACM2 )\n! Reaction Label R032 \n RKI( NCELL, 37) = RJBLK( NCELL, IJ_PAN1_RACM2 )\n! Reaction Label R033 \n RKI( NCELL, 38) = RJBLK( NCELL, IJ_PAN2_RACM2 )\n! Reaction Label TRP55 \n RKI( NCELL, 39) = RJBLK( NCELL, IJ_ONIT_RACM2 )\n! Reaction Label TRP56 \n RKI( NCELL, 40) = RJBLK( NCELL, IJ_ONIT_RACM2 )\n! Reaction Label T20 \n RKI( NCELL, 396) = RJBLK( NCELL, IJ_ACRO_09 )\n\n IF ( SEAWATER (NCELL) .GT. 0.001D0 ) THEN\n! Reaction Label HAL_Ozone \n RKI( NCELL, 427) = SEAWATER (NCELL) * SFACT * HALOGEN_FALLOFF( BLKPRES( NCELL ), 6.7006D-11, 1.0743D+01, & \n & 3.4153D-08, -6.7130D-01, 2.0000D-06 )\n ELSE\n RKI( NCELL, 427) = 0.0D0 \n END IF\n\n END DO \n END IF \n\n DO NCELL = 1, NUMCELLS \n! Set-up conversion factors \n INV_TEMP = 1.0D+00 / BLKTEMP( NCELL ) \n CAIR = 1.0D+06 * COEF1 * BLKPRES( NCELL ) * INV_TEMP \n CFACT = 6.0D-05 * CAIR\n CFACT_SQU = 6.0D-11 * CAIR * CAIR \n INV_CAIR = 1.0D0 / CAIR \n INV_CFACT = 6.0D+07 * INV_CAIR \n TEMP = BLKTEMP( NCELL ) \n TEMPOT300 = BLKTEMP( NCELL ) * TI300 \n RFACT = 1.0D+06 * INV_CAIR \n RFACT_SQU = 1.0D+12 * INV_CAIR * INV_CAIR \n\n! Reaction Label R034 \n RKI( NCELL, 41) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.7000D-12, -9.4000D+02 )\n! Reaction Label R035 \n RKI( NCELL, 42) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.0000D-14, -4.9000D+02 )\n! Reaction Label R036 \n RKI( NCELL, 43) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.0000D-12, -1.5000D+03 )\n! Reaction Label R037 \n RKI( NCELL, 44) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.2000D-13, -2.4500D+03 )\n! Reaction Label R038 \n RKI( NCELL, 45) = CFACT_SQU * POWER_T02( TEMPOT300, 6.1000D-34, -2.4000D+00 )\n! Reaction Label R039 \n RKI( NCELL, 46) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.0000D-12, -2.0600D+03 )\n! Reaction Label R040 \n RKI( NCELL, 47) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.3000D-11, 5.5000D+01 )\n! Reaction Label R041 \n RKI( NCELL, 48) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.1500D-11, 1.1000D+02 )\n! Reaction Label R042 \n RKI( NCELL, 49) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.6300D-10, 6.0000D+01 )\n! Reaction Label R043 \n RKI( NCELL, 50) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.8000D-12, -1.8000D+03 )\n! Reaction Label R044 \n RKI( NCELL, 51) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.8000D-11, 2.5000D+02 )\n! Reaction Label R045 \n RKI( NCELL, 52) = CFACT * FALLOFF_T09( INV_TEMP, CAIR, & \n & 3.0000D-13, 4.6000D+02, 2.1000D-33, & \n & 9.2000D+02 )\n! Reaction Label R046 \n RKI( NCELL, 53) = CFACT_SQU * FALLOFF_T09( INV_TEMP, CAIR, & \n & 4.2000D-34, 2.6600D+03, 2.9400D-54, & \n & 3.1200D+03 )\n! Reaction Label R047 \n RKI( NCELL, 54) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.8000D-12, 0.0000D+00 )\n! Reaction Label R048 \n RKI( NCELL, 55) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 9.1000D-32, 0.0000D+00, -1.5000D+00, & \n & 3.0000D-11, 0.0000D+00, 0.0000D+00, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label R049 \n RKI( NCELL, 56) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 7.1000D-31, 0.0000D+00, -2.6000D+00, & \n & 3.6000D-11, 0.0000D+00, -1.0000D-01, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label R050 \n RKI( NCELL, 57) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.4400D-12, 2.6000D+02 )\n! Reaction Label R051 \n RKI( NCELL, 58) = CFACT * FALLOFF_T11( INV_TEMP,TEMPOT300,CAIR, & \n & 6.0950D-14, -1.0000D+00, 2.7000D+02, &\n & 6.8570D-34, 1.0000D+00, 2.7000D+02, & \n & -5.9680D-14, 2.7000D+02 )\n! Reaction Label R052 \n RKI( NCELL, 59) = CFACT_SQU * ARRHENUIS_T03( INV_TEMP, 4.2500D-39, 6.6350D+02 )\n! Reaction Label R053 \n RKI( NCELL, 60) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.0000D-12, 2.5000D+02 )\n! Reaction Label R054 \n RKI( NCELL, 61) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.3000D-12, 2.0000D+02 )\n! Reaction Label R055 \n RKI( NCELL, 62) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 3.4000D-31, 0.0000D+00, -1.6000D+00, & \n & 2.3000D-11, 0.0000D+00, -2.0000D-01, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label R056 \n RKI( NCELL, 63) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 1.8000D-30, 0.0000D+00, -3.0000D+00, & \n & 2.8000D-11, 0.0000D+00, 0.0000D+00, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label R057 \n RKI( NCELL, 64) = CFACT * FALLOFF_T08( INV_TEMP, CAIR, & \n & 2.4000D-14, 4.6000D+02, 2.7000D-17, & \n & 2.1990D+03, 6.5000D-34, 1.3350D+03 )\n! Reaction Label R058 \n RKI( NCELL, 65) = 2.0000D-11 * CFACT \n! Reaction Label R059 \n RKI( NCELL, 66) = 3.5000D-12 * CFACT \n! Reaction Label R060 \n RKI( NCELL, 67) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.7000D-11, 1.2500D+02 )\n! Reaction Label R061 \n RKI( NCELL, 68) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.3500D-14, -1.3350D+03 )\n! Reaction Label R062 \n RKI( NCELL, 69) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.5000D-13, -2.4500D+03 )\n! Reaction Label R063 \n RKI( NCELL, 70) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 2.4000D-30, 0.0000D+00, -3.0000D+00, & \n & 1.6000D-12, 0.0000D+00, 1.0000D-01, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label R064 \n RKI( NCELL, 71) = RFACT * RKI( NCELL, 70 ) & \n & * ( 1.7241D+26 * DEXP( -1.0840D+04 * INV_TEMP) ) \n! Reaction Label R065 \n RKI( NCELL, 72) = 1.0000D-22 * CFACT \n! Reaction Label R066 \n RKI( NCELL, 73) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 1.9000D-31, 0.0000D+00, -3.4000D+00, & \n & 4.0000D-12, 0.0000D+00, -3.0000D-01, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label R067 \n RKI( NCELL, 74) = RFACT * RKI( NCELL, 73 ) & \n & * ( 4.7619D+26 * DEXP( -1.0900D+04 * INV_TEMP) ) \n! Reaction Label R068 \n RKI( NCELL, 75) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.5000D-13, 6.1000D+02 )\n! Reaction Label R069 \n RKI( NCELL, 76) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 2.9000D-31, 0.0000D+00, -4.1000D+00, & \n & 1.7000D-12, 0.0000D+00, 2.0000D-01, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label R070 \n RKI( NCELL, 77) = CFACT * FALLOFF_T09( INV_TEMP, CAIR, & \n & 1.4400D-13, 0.0000D+00, 2.7400D-33, & \n & 0.0000D+00 )\n! Reaction Label R071 \n RKI( NCELL, 78) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.4500D-12, -1.7750D+03 )\n! Reaction Label R072 \n RKI( NCELL, 79) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.6600D-12, -1.0200D+03 )\n! Reaction Label R073 \n RKI( NCELL, 80) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.6800D-12, -3.7000D+02 )\n! Reaction Label R074 \n RKI( NCELL, 81) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.0100D-11, -2.4500D+02 )\n! Reaction Label R076 \n RKI( NCELL, 82) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 1.0000D-28, 0.0000D+00, -4.5000D+00, & \n & 8.8000D-12, 0.0000D+00, -8.5000D-01, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label R077 \n RKI( NCELL, 83) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.7200D-12, 5.0000D+02 )\n! Reaction Label R078 \n RKI( NCELL, 84) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.3300D-11, 5.0000D+02 )\n! Reaction Label R080 \n RKI( NCELL, 85) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 5.5000D-30, 0.0000D+00, 0.0000D+00, & \n & 8.3000D-13, 0.0000D+00, 2.0000D+00, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label ROCARO31 \n RKI( NCELL, 86) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.3300D-12, -1.9300D+02 )\n! Reaction Label ROCARO41 \n RKI( NCELL, 87) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.8100D-12, 3.5400D+02 )\n! Reaction Label ROCARO51 \n RKI( NCELL, 88) = 2.3300D-11 * CFACT \n! Reaction Label ROCARO61 \n RKI( NCELL, 89) = 7.1600D-12 * CFACT \n! Reaction Label RAM01 \n RKI( NCELL, 90) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.5800D-14, -2.0000D+03 )\n! Reaction Label RAM02 \n RKI( NCELL, 91) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9500D-12, -4.5000D+02 )\n! Reaction Label RAM03 \n RKI( NCELL, 92) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.6900D-11, 3.9000D+02 )\n! Reaction Label RAM04 \n RKI( NCELL, 93) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.5000D-13, 1.3000D+03 )\n! Reaction Label RAM05 \n RKI( NCELL, 94) = CFACT * ARRHENUIS_T03( INV_TEMP, 6.0000D-12, 3.5000D+02 )\n! Reaction Label RAM06 \n RKI( NCELL, 95) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.6000D-12, 2.0000D+02 )\n! Reaction Label RAM07 \n RKI( NCELL, 96) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9700D-11, 3.9000D+02 )\n! Reaction Label RAM08 \n RKI( NCELL, 97) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.1400D-11, 5.8000D+02 )\n! Reaction Label RAM09 \n RKI( NCELL, 98) = CFACT * ARRHENUIS_T03( INV_TEMP, 9.4200D-12, 5.8000D+02 )\n! Reaction Label RAM10 \n RKI( NCELL, 99) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.4000D-11, 3.9000D+02 )\n! Reaction Label RAM11 \n RKI( NCELL, 100) = 1.5000D-11 * CFACT \n! Reaction Label RAM12 \n RKI( NCELL, 101) = 4.0000D-05 * SFACT \n! Reaction Label RAM13 \n RKI( NCELL, 102) = 3.0000D-12 * CFACT \n! Reaction Label R087 \n RKI( NCELL, 103) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.2100D-11, 4.4000D+02 )\n! Reaction Label R088 \n RKI( NCELL, 104) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.2000D-11, 4.0100D+02 )\n! Reaction Label TRP04 \n RKI( NCELL, 105) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.2000D-12, 6.0000D+02 )\n! Reaction Label TRP05 \n RKI( NCELL, 106) = 1.1000D-10 * CFACT \n! Reaction Label R089 \n RKI( NCELL, 107) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.5000D-12, 1.2500D+02 )\n! Reaction Label R090 \n RKI( NCELL, 108) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.7000D-12, 3.4500D+02 )\n! Reaction Label R091 \n RKI( NCELL, 109) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.9000D-12, 4.0500D+02 )\n! Reaction Label R092 \n RKI( NCELL, 110) = CFACT * ARRHENUIS_T04( INV_TEMP, TEMPOT300, & \n & 4.5600D-14, -4.2700D+02, 3.6500D+00 )\n! Reaction Label R093 \n RKI( NCELL, 111) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.5000D-12, -9.0000D+01 )\n! Reaction Label R094 \n RKI( NCELL, 112) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.8000D-12, 1.0000D+01 )\n! Reaction Label R095 \n RKI( NCELL, 113) = 3.0000D-12 * CFACT \n! Reaction Label R096 \n RKI( NCELL, 114) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.0000D-12, 3.8000D+02 )\n! Reaction Label R097 \n RKI( NCELL, 115) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.6000D-12, 6.1000D+02 )\n! Reaction Label R098 \n RKI( NCELL, 116) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.7700D-12, 5.3300D+02 )\n! Reaction Label R099 \n RKI( NCELL, 117) = 1.1000D-11 * CFACT \n! Reaction Label R100 \n RKI( NCELL, 118) = CFACT * ARRHENUIS_T03( INV_TEMP, 9.2600D-13, 8.3000D+02 )\n! Reaction Label R101 \n RKI( NCELL, 119) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.8000D-11, 1.7500D+02 )\n! Reaction Label R102 \n RKI( NCELL, 120) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.8000D-11, 1.7500D+02 )\n! Reaction Label R103 \n RKI( NCELL, 121) = 1.0000D-11 * CFACT \n! Reaction Label R104 \n RKI( NCELL, 122) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.3200D-12, 2.4300D+02 )\n! Reaction Label R105 \n RKI( NCELL, 123) = CFACT * ARRHENUIS_T03( INV_TEMP, 6.7500D-12, 4.0500D+02 )\n! Reaction Label R106 \n RKI( NCELL, 124) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.6500D-11, 0.0000D+00 )\n! Reaction Label R108 \n RKI( NCELL, 125) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.0500D-10, 0.0000D+00 )\n! Reaction Label R109 \n RKI( NCELL, 126) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.8500D-12, -3.4500D+02 )\n! Reaction Label R110 \n RKI( NCELL, 127) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.0000D-12, 2.0000D+01 )\n! Reaction Label R111 \n RKI( NCELL, 128) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.6000D-12, 2.0000D+02 )\n! Reaction Label R112 \n RKI( NCELL, 129) = 1.4700D-11 * CFACT \n! Reaction Label R113 \n RKI( NCELL, 130) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9000D-12, 1.9000D+02 )\n! Reaction Label R114 \n RKI( NCELL, 131) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.4000D-12, 1.9000D+02 )\n! Reaction Label TRP06 \n RKI( NCELL, 132) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.4000D-12, 1.9000D+02 )\n! Reaction Label R114a \n RKI( NCELL, 133) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.4000D-12, 1.9000D+02 )\n! Reaction Label R116 \n RKI( NCELL, 134) = 3.0000D-11 * CFACT \n! Reaction Label R117 \n RKI( NCELL, 135) = 4.5000D-13 * CFACT \n! Reaction Label R118 \n RKI( NCELL, 136) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.0000D-14, 8.5000D+02 )\n! Reaction Label R119 \n RKI( NCELL, 137) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9300D-12, 1.9000D+02 )\n! Reaction Label R120 \n RKI( NCELL, 138) = 4.0000D-14 * CFACT \n! Reaction Label R121 \n RKI( NCELL, 139) = 4.0000D-14 * CFACT \n! Reaction Label R122 \n RKI( NCELL, 140) = 3.2000D-11 * CFACT \n! Reaction Label R123 \n RKI( NCELL, 141) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.3100D-12, -2.6000D+02 )\n! Reaction Label TRP07 \n RKI( NCELL, 142) = 4.8000D-12 * CFACT \n! Reaction Label TRP57 \n RKI( NCELL, 143) = CFACT * FALLOFF_T08( INV_TEMP, CAIR, & \n & 2.4000D-14, 4.6000D+02, 2.7000D-17, & \n & 2.1990D+03, 6.5000D-34, 1.3350D+03 )\n! Reaction Label R126 \n RKI( NCELL, 144) = CFACT * ARRHENUIS_T03( INV_TEMP, 9.1400D-15, -2.5800D+03 )\n! Reaction Label R127 \n RKI( NCELL, 145) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.3300D-15, -1.8000D+03 )\n! Reaction Label R128 \n RKI( NCELL, 146) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.4000D-15, -8.4500D+02 )\n! Reaction Label R131 \n RKI( NCELL, 147) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.0500D-16, -6.4000D+02 )\n! Reaction Label R132 \n RKI( NCELL, 148) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.8000D-15, -7.7000D+02 )\n! Reaction Label TRP08 \n RKI( NCELL, 149) = 8.3000D-18 * CFACT \n! Reaction Label TRP09 \n RKI( NCELL, 150) = 1.6700D-16 * CFACT \n! Reaction Label R133 \n RKI( NCELL, 151) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.3600D-15, -2.1120D+03 )\n! Reaction Label R134 \n RKI( NCELL, 152) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.5000D-16, -1.5200D+03 )\n! Reaction Label R135 \n RKI( NCELL, 153) = 1.6600D-18 * CFACT \n! Reaction Label R136 \n RKI( NCELL, 154) = 2.0000D-16 * CFACT \n! Reaction Label R137 \n RKI( NCELL, 155) = 2.0000D-16 * CFACT \n! Reaction Label R138 \n RKI( NCELL, 156) = 9.0000D-17 * CFACT \n! Reaction Label R140 \n RKI( NCELL, 157) = 2.8600D-13 * CFACT \n! Reaction Label R141 \n RKI( NCELL, 158) = CFACT * ARRHENUIS_T04( INV_TEMP, TEMPOT300, & \n & 4.3920D-13, -2.2820D+03, 2.0000D+00 )\n! Reaction Label R142 \n RKI( NCELL, 159) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.7900D-13, -4.5000D+02 )\n! Reaction Label R143 \n RKI( NCELL, 160) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.6400D-13, 4.5000D+02 )\n! Reaction Label R146 \n RKI( NCELL, 161) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.1900D-12, 4.9000D+02 )\n! Reaction Label R147 \n RKI( NCELL, 162) = 1.2200D-11 * CFACT \n! Reaction Label TRP10 \n RKI( NCELL, 163) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.1500D-13, -4.4800D+02 )\n! Reaction Label R148 \n RKI( NCELL, 164) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.0000D-12, -2.4400D+03 )\n! Reaction Label R149 \n RKI( NCELL, 165) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.4000D-12, -1.9000D+03 )\n! Reaction Label R150 \n RKI( NCELL, 166) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.7600D-12, -1.9000D+03 )\n! Reaction Label R151 \n RKI( NCELL, 167) = 3.4000D-15 * CFACT \n! Reaction Label R152 \n RKI( NCELL, 168) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.0200D-13, -1.0760D+03 )\n! Reaction Label R153 \n RKI( NCELL, 169) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9000D-12, -1.9000D+03 )\n! Reaction Label R154 \n RKI( NCELL, 170) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.7600D-12, -1.9000D+03 )\n! Reaction Label R155 \n RKI( NCELL, 171) = 3.7800D-12 * CFACT \n! Reaction Label R156 \n RKI( NCELL, 172) = 1.0600D-12 * CFACT \n! Reaction Label R158 \n RKI( NCELL, 173) = 2.0100D-10 * CFACT \n! Reaction Label R159 \n RKI( NCELL, 174) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.2000D-14, -5.0000D+02 )\n! Reaction Label TRP11 \n RKI( NCELL, 175) = 2.9000D-02 * SFACT \n! Reaction Label TRP12 \n RKI( NCELL, 176) = 2.4000D-02 * SFACT \n! Reaction Label R166 \n RKI( NCELL, 177) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 9.7000D-29, 0.0000D+00, -5.6000D+00, & \n & 9.3000D-12, 0.0000D+00, -1.5000D+00, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label R167 \n RKI( NCELL, 178) = RFACT * RKI( NCELL, 177 ) & \n & * ( 1.1111D+28 * DEXP( -1.4000D+04 * INV_TEMP) ) \n! Reaction Label R168 \n RKI( NCELL, 179) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 9.7000D-29, 0.0000D+00, -5.6000D+00, & \n & 9.3000D-12, 0.0000D+00, -1.5000D+00, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label R169 \n RKI( NCELL, 180) = RFACT * RKI( NCELL, 179 ) & \n & * ( 1.1111D+28 * DEXP( -1.4000D+04 * INV_TEMP) ) \n! Reaction Label R170 \n RKI( NCELL, 181) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.8000D-12, 1.8100D+02 )\n! Reaction Label R171 \n RKI( NCELL, 182) = SFACT * ARRHENUIS_T03( INV_TEMP, 1.6000D+16, -1.3486D+04 )\n! Reaction Label R172 \n RKI( NCELL, 183) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.8000D-12, 3.0000D+02 )\n! Reaction Label R173 \n RKI( NCELL, 184) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.6000D-12, 3.6500D+02 )\n! Reaction Label R174 \n RKI( NCELL, 185) = 4.0000D-12 * CFACT \n! Reaction Label R175 \n RKI( NCELL, 186) = 4.0000D-12 * CFACT \n! Reaction Label R177 \n RKI( NCELL, 187) = 9.0000D-12 * CFACT \n! Reaction Label R178 \n RKI( NCELL, 188) = 4.0000D-12 * CFACT \n! Reaction Label R179 \n RKI( NCELL, 189) = 4.0000D-12 * CFACT \n! Reaction Label ROCARO33 \n RKI( NCELL, 190) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label ROCARO43 \n RKI( NCELL, 191) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label ROCARO53 \n RKI( NCELL, 192) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label ROCARO63 \n RKI( NCELL, 193) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label R189 \n RKI( NCELL, 194) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label TRP13 \n RKI( NCELL, 195) = 4.0000D-12 * CFACT \n! Reaction Label TRP14 \n RKI( NCELL, 196) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label TRP15 \n RKI( NCELL, 197) = 4.0000D-12 * CFACT \n! Reaction Label R190 \n RKI( NCELL, 198) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label TRP16 \n RKI( NCELL, 199) = 4.0000D-12 * CFACT \n! Reaction Label TRP17 \n RKI( NCELL, 200) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label TRP18 \n RKI( NCELL, 201) = 4.0000D-12 * CFACT \n! Reaction Label TRP19 \n RKI( NCELL, 202) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label TRP20 \n RKI( NCELL, 203) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label R191 \n RKI( NCELL, 204) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.1000D-12, 2.7000D+02 )\n! Reaction Label R192 \n RKI( NCELL, 205) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.1000D-12, 2.7000D+02 )\n! Reaction Label R193 \n RKI( NCELL, 206) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9000D-12, 3.0000D+02 )\n! Reaction Label R194 \n RKI( NCELL, 207) = 4.0000D-12 * CFACT \n! Reaction Label R195 \n RKI( NCELL, 208) = 4.0000D-12 * CFACT \n! Reaction Label R196 \n RKI( NCELL, 209) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.5400D-12, 3.6000D+02 )\n! Reaction Label R197 \n RKI( NCELL, 210) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.5400D-12, 3.6000D+02 )\n! Reaction Label R198 \n RKI( NCELL, 211) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.5400D-12, 3.6000D+02 )\n! Reaction Label R199 \n RKI( NCELL, 212) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.5400D-12, 3.6000D+02 )\n! Reaction Label R200 \n RKI( NCELL, 213) = 4.0000D-12 * CFACT \n! Reaction Label R201 \n RKI( NCELL, 214) = 4.0000D-12 * CFACT \n! Reaction Label R202 \n RKI( NCELL, 215) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label R203 \n RKI( NCELL, 216) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label R204 \n RKI( NCELL, 217) = 4.0000D-12 * CFACT \n! Reaction Label R205 \n RKI( NCELL, 218) = 4.0000D-12 * CFACT \n! Reaction Label R206 \n RKI( NCELL, 219) = 4.0000D-12 * CFACT \n! Reaction Label R207 \n RKI( NCELL, 220) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label R208 \n RKI( NCELL, 221) = 4.0000D-12 * CFACT \n! Reaction Label R209 \n RKI( NCELL, 222) = 2.0000D-11 * CFACT \n! Reaction Label R210 \n RKI( NCELL, 223) = 2.0000D-11 * CFACT \n! Reaction Label R211 \n RKI( NCELL, 224) = 2.0800D-12 * CFACT \n! Reaction Label R212 \n RKI( NCELL, 225) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.1000D-13, 7.5000D+02 )\n! Reaction Label R213 \n RKI( NCELL, 226) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.5000D-13, 7.0000D+02 )\n! Reaction Label R214 \n RKI( NCELL, 227) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.6600D-13, 1.3000D+03 )\n! Reaction Label R215 \n RKI( NCELL, 228) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.6600D-13, 1.3000D+03 )\n! Reaction Label R217 \n RKI( NCELL, 229) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.9000D-13, 1.3000D+03 )\n! Reaction Label R218 \n RKI( NCELL, 230) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.6600D-13, 1.3000D+03 )\n! Reaction Label R219 \n RKI( NCELL, 231) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.6600D-13, 1.3000D+03 )\n! Reaction Label ROCARO32 \n RKI( NCELL, 232) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9100D-13, 1.3000D+03 )\n! Reaction Label ROCARO42 \n RKI( NCELL, 233) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9100D-13, 1.3000D+03 )\n! Reaction Label ROCARO52 \n RKI( NCELL, 234) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9100D-13, 1.3000D+03 )\n! Reaction Label ROCARO62 \n RKI( NCELL, 235) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9100D-13, 1.3000D+03 )\n! Reaction Label R229 \n RKI( NCELL, 236) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.6000D-13, 1.3000D+03 )\n! Reaction Label TRP21 \n RKI( NCELL, 237) = 1.5000D-11 * CFACT \n! Reaction Label TRP22 \n RKI( NCELL, 238) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7100D-13, 1.3000D+03 )\n! Reaction Label TRP23 \n RKI( NCELL, 239) = 1.5000D-11 * CFACT \n! Reaction Label R230 \n RKI( NCELL, 240) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.6000D-13, 1.3000D+03 )\n! Reaction Label TRP24 \n RKI( NCELL, 241) = 1.5000D-11 * CFACT \n! Reaction Label TRP25 \n RKI( NCELL, 242) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7100D-13, 1.3000D+03 )\n! Reaction Label TRP26 \n RKI( NCELL, 243) = 1.5000D-11 * CFACT \n! Reaction Label TRP27 \n RKI( NCELL, 244) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7100D-13, 1.3000D+03 )\n! Reaction Label TRP28 \n RKI( NCELL, 245) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7300D-13, 1.3000D+03 )\n! Reaction Label R231 \n RKI( NCELL, 246) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.3000D-13, 1.0400D+03 )\n! Reaction Label R232 \n RKI( NCELL, 247) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.3000D-13, 1.0400D+03 )\n! Reaction Label R233 \n RKI( NCELL, 248) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.1500D-13, 1.3000D+03 )\n! Reaction Label R234 \n RKI( NCELL, 249) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.1500D-13, 1.3000D+03 )\n! Reaction Label R235 \n RKI( NCELL, 250) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.1500D-13, 1.3000D+03 )\n! Reaction Label R236 \n RKI( NCELL, 251) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.8200D-13, 1.3000D+03 )\n! Reaction Label R237 \n RKI( NCELL, 252) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.8200D-13, 1.3000D+03 )\n! Reaction Label R238 \n RKI( NCELL, 253) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9100D-13, 1.3000D+03 )\n! Reaction Label R239 \n RKI( NCELL, 254) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9100D-13, 1.3000D+03 )\n! Reaction Label R240 \n RKI( NCELL, 255) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.7500D-13, 9.8000D+02 )\n! Reaction Label R241 \n RKI( NCELL, 256) = 1.0000D-11 * CFACT \n! Reaction Label R242 \n RKI( NCELL, 257) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.7500D-13, 9.8000D+02 )\n! Reaction Label R243 \n RKI( NCELL, 258) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.1500D-13, 1.3000D+03 )\n! Reaction Label R244 \n RKI( NCELL, 259) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.6600D-13, 1.3000D+03 )\n! Reaction Label R245 \n RKI( NCELL, 260) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.6600D-13, 1.3000D+03 )\n! Reaction Label R246 \n RKI( NCELL, 261) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.7500D-13, 9.8000D+02 )\n! Reaction Label R247 \n RKI( NCELL, 262) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.6600D-13, 1.3000D+03 )\n! Reaction Label R248 \n RKI( NCELL, 263) = CFACT * ARRHENUIS_T03( INV_TEMP, 9.5000D-14, 3.9000D+02 )\n! Reaction Label R249 \n RKI( NCELL, 264) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.1800D-13, 1.5800D+02 )\n! Reaction Label R250 \n RKI( NCELL, 265) = CFACT * ARRHENUIS_T03( INV_TEMP, 9.4600D-14, 4.3100D+02 )\n! Reaction Label R251 \n RKI( NCELL, 266) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.0000D-13, 4.6700D+02 )\n! Reaction Label R253 \n RKI( NCELL, 267) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.7100D-13, 7.0800D+02 )\n! Reaction Label R254 \n RKI( NCELL, 268) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.4600D-13, 7.0800D+02 )\n! Reaction Label R255 \n RKI( NCELL, 269) = CFACT * ARRHENUIS_T03( INV_TEMP, 9.1800D-14, 7.0800D+02 )\n! Reaction Label ROCARO35 \n RKI( NCELL, 270) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.5600D-14, 7.0800D+02 )\n! Reaction Label ROCARO45 \n RKI( NCELL, 271) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.5600D-14, 7.0800D+02 )\n! Reaction Label ROCARO55 \n RKI( NCELL, 272) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.5600D-14, 7.0800D+02 )\n! Reaction Label ROCARO65 \n RKI( NCELL, 273) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.5600D-14, 7.0800D+02 )\n! Reaction Label R264 \n RKI( NCELL, 274) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.4000D-14, 2.2100D+02 )\n! Reaction Label R265 \n RKI( NCELL, 275) = 2.0000D-12 * CFACT \n! Reaction Label TRP29 \n RKI( NCELL, 276) = 1.0000D-10 * CFACT \n! Reaction Label TRP30 \n RKI( NCELL, 277) = 2.0000D-12 * CFACT \n! Reaction Label TRP31 \n RKI( NCELL, 278) = 1.0000D-10 * CFACT \n! Reaction Label R266 \n RKI( NCELL, 279) = 2.0000D-12 * CFACT \n! Reaction Label TRP32 \n RKI( NCELL, 280) = 1.0000D-10 * CFACT \n! Reaction Label TRP33 \n RKI( NCELL, 281) = 2.0000D-12 * CFACT \n! Reaction Label TRP34 \n RKI( NCELL, 282) = 1.0000D-10 * CFACT \n! Reaction Label R267 \n RKI( NCELL, 283) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.0000D-11, 5.0000D+02 )\n! Reaction Label R268 \n RKI( NCELL, 284) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.0000D-11, 5.0000D+02 )\n! Reaction Label R269 \n RKI( NCELL, 285) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.5000D-13, 5.0000D+02 )\n! Reaction Label R270 \n RKI( NCELL, 286) = CFACT * ARRHENUIS_T03( INV_TEMP, 6.9100D-13, 5.0800D+02 )\n! Reaction Label R271 \n RKI( NCELL, 287) = CFACT * ARRHENUIS_T03( INV_TEMP, 6.9100D-13, 5.0800D+02 )\n! Reaction Label R272 \n RKI( NCELL, 288) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.4000D-14, 2.2100D+02 )\n! Reaction Label R273 \n RKI( NCELL, 289) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.4000D-14, 2.2100D+02 )\n! Reaction Label R274 \n RKI( NCELL, 290) = 8.3700D-14 * CFACT \n! Reaction Label R275 \n RKI( NCELL, 291) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.4000D-14, 2.2100D+02 )\n! Reaction Label R276 \n RKI( NCELL, 292) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.5600D-14, 7.0800D+02 )\n! Reaction Label R277 \n RKI( NCELL, 293) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.5600D-14, 7.0800D+02 )\n! Reaction Label R278 \n RKI( NCELL, 294) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.5600D-14, 7.0800D+02 )\n! Reaction Label R279 \n RKI( NCELL, 295) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.5600D-14, 7.0800D+02 )\n! Reaction Label R280 \n RKI( NCELL, 296) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.5000D-13, 5.0000D+02 )\n! Reaction Label R281 \n RKI( NCELL, 297) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.6000D-13, 7.0800D+02 )\n! Reaction Label R282 \n RKI( NCELL, 298) = CFACT * ARRHENUIS_T03( INV_TEMP, 9.6800D-14, 7.0800D+02 )\n! Reaction Label R283 \n RKI( NCELL, 299) = 3.5600D-14 * CFACT \n! Reaction Label R284 \n RKI( NCELL, 300) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.9900D-15, 1.5100D+03 )\n! Reaction Label R285 \n RKI( NCELL, 301) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.0300D-12, 2.1100D+02 )\n! Reaction Label R286 \n RKI( NCELL, 302) = CFACT * ARRHENUIS_T03( INV_TEMP, 6.9000D-13, 4.6000D+02 )\n! Reaction Label R287 \n RKI( NCELL, 303) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.5900D-13, 5.2200D+02 )\n! Reaction Label R289 \n RKI( NCELL, 304) = CFACT * ARRHENUIS_T03( INV_TEMP, 9.4800D-13, 7.6500D+02 )\n! Reaction Label R290 \n RKI( NCELL, 305) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.1100D-13, 7.6500D+02 )\n! Reaction Label R291 \n RKI( NCELL, 306) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.0900D-13, 7.6500D+02 )\n! Reaction Label ROCARO36 \n RKI( NCELL, 307) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4000D-13, 7.6500D+02 )\n! Reaction Label ROCARO46 \n RKI( NCELL, 308) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4000D-13, 7.6500D+02 )\n! Reaction Label ROCARO56 \n RKI( NCELL, 309) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4000D-13, 7.6500D+02 )\n! Reaction Label ROCARO66 \n RKI( NCELL, 310) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4000D-13, 7.6500D+02 )\n! Reaction Label R300 \n RKI( NCELL, 311) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.4000D-14, 2.2100D+02 )\n! Reaction Label R301 \n RKI( NCELL, 312) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.0000D-12, 5.0000D+02 )\n! Reaction Label TRP35 \n RKI( NCELL, 313) = 1.0000D-10 * CFACT \n! Reaction Label TRP36 \n RKI( NCELL, 314) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.0000D-12, 5.0000D+02 )\n! Reaction Label TRP37 \n RKI( NCELL, 315) = 1.0000D-10 * CFACT \n! Reaction Label R302 \n RKI( NCELL, 316) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.0000D-12, 5.0000D+02 )\n! Reaction Label TRP38 \n RKI( NCELL, 317) = 1.0000D-10 * CFACT \n! Reaction Label TRP39 \n RKI( NCELL, 318) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.0000D-12, 5.0000D+02 )\n! Reaction Label TRP40 \n RKI( NCELL, 319) = 1.0000D-10 * CFACT \n! Reaction Label R303 \n RKI( NCELL, 320) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.5000D-12, 5.0000D+02 )\n! Reaction Label R304 \n RKI( NCELL, 321) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.5000D-12, 5.0000D+02 )\n! Reaction Label R305 \n RKI( NCELL, 322) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.5100D-13, 5.6500D+02 )\n! Reaction Label R306 \n RKI( NCELL, 323) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.5100D-13, 5.6500D+02 )\n! Reaction Label R307 \n RKI( NCELL, 324) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.5100D-13, 5.6500D+02 )\n! Reaction Label R308 \n RKI( NCELL, 325) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.4000D-14, 2.2100D+02 )\n! Reaction Label R309 \n RKI( NCELL, 326) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.4000D-14, 2.2100D+02 )\n! Reaction Label R310 \n RKI( NCELL, 327) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.6800D-12, 5.0000D+02 )\n! Reaction Label R311 \n RKI( NCELL, 328) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.6800D-12, 5.0000D+02 )\n! Reaction Label R312 \n RKI( NCELL, 329) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4000D-13, 7.6500D+02 )\n! Reaction Label R313 \n RKI( NCELL, 330) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4000D-13, 7.6500D+02 )\n! Reaction Label R314 \n RKI( NCELL, 331) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4000D-13, 7.0800D+02 )\n! Reaction Label R315 \n RKI( NCELL, 332) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4000D-13, 7.0800D+02 )\n! Reaction Label R316 \n RKI( NCELL, 333) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.5100D-13, 5.6500D+02 )\n! Reaction Label R317 \n RKI( NCELL, 334) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.8500D-13, 7.6500D+02 )\n! Reaction Label R318 \n RKI( NCELL, 335) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.3700D-13, 7.6500D+02 )\n! Reaction Label R319 \n RKI( NCELL, 336) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4000D-13, 7.0800D+02 )\n! Reaction Label R320 \n RKI( NCELL, 337) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.4000D-14, 1.5600D+03 )\n! Reaction Label R321 \n RKI( NCELL, 338) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.5000D-12, 5.0000D+02 )\n! Reaction Label R322 \n RKI( NCELL, 339) = 1.2000D-12 * CFACT \n! Reaction Label R323 \n RKI( NCELL, 340) = 1.2000D-12 * CFACT \n! Reaction Label R324 \n RKI( NCELL, 341) = 1.2000D-12 * CFACT \n! Reaction Label R325 \n RKI( NCELL, 342) = 1.2000D-12 * CFACT \n! Reaction Label R327 \n RKI( NCELL, 343) = 1.2000D-12 * CFACT \n! Reaction Label R328 \n RKI( NCELL, 344) = 1.2000D-12 * CFACT \n! Reaction Label R329 \n RKI( NCELL, 345) = 1.2000D-12 * CFACT \n! Reaction Label ROCARO34 \n RKI( NCELL, 346) = 2.3000D-12 * CFACT \n! Reaction Label ROCARO44 \n RKI( NCELL, 347) = 2.3000D-12 * CFACT \n! Reaction Label ROCARO54 \n RKI( NCELL, 348) = 2.3000D-12 * CFACT \n! Reaction Label ROCARO64 \n RKI( NCELL, 349) = 2.3000D-12 * CFACT \n! Reaction Label R338 \n RKI( NCELL, 350) = 1.2000D-12 * CFACT \n! Reaction Label R339 \n RKI( NCELL, 351) = 2.3000D-12 * CFACT \n! Reaction Label R340 \n RKI( NCELL, 352) = 2.3000D-12 * CFACT \n! Reaction Label TRP53 \n RKI( NCELL, 353) = 2.3000D-12 * CFACT \n! Reaction Label TRP54 \n RKI( NCELL, 354) = 2.3000D-12 * CFACT \n! Reaction Label R341 \n RKI( NCELL, 355) = 4.0000D-12 * CFACT \n! Reaction Label R342 \n RKI( NCELL, 356) = 4.0000D-12 * CFACT \n! Reaction Label R343 \n RKI( NCELL, 357) = 1.2000D-12 * CFACT \n! Reaction Label R344 \n RKI( NCELL, 358) = 1.2000D-12 * CFACT \n! Reaction Label R345 \n RKI( NCELL, 359) = 1.2000D-12 * CFACT \n! Reaction Label R346 \n RKI( NCELL, 360) = 1.2000D-12 * CFACT \n! Reaction Label R347 \n RKI( NCELL, 361) = 1.2000D-12 * CFACT \n! Reaction Label R348 \n RKI( NCELL, 362) = 2.5000D-12 * CFACT \n! Reaction Label R349 \n RKI( NCELL, 363) = 2.5000D-12 * CFACT \n! Reaction Label R350 \n RKI( NCELL, 364) = 2.5000D-12 * CFACT \n! Reaction Label R351 \n RKI( NCELL, 365) = 2.5000D-12 * CFACT \n! Reaction Label R352 \n RKI( NCELL, 366) = 1.2000D-12 * CFACT \n! Reaction Label R353 \n RKI( NCELL, 367) = 1.2000D-12 * CFACT \n! Reaction Label R354 \n RKI( NCELL, 368) = 1.2000D-12 * CFACT \n! Reaction Label R355 \n RKI( NCELL, 369) = 1.2000D-12 * CFACT \n! Reaction Label R356 \n RKI( NCELL, 370) = 1.2000D-12 * CFACT \n! Reaction Label R357 \n RKI( NCELL, 371) = 1.2000D-12 * CFACT \n! Reaction Label R358 \n RKI( NCELL, 372) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.0000D-14, 1.0000D+03 )\n! Reaction Label R359 \n RKI( NCELL, 373) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.2500D-14, 1.0000D+03 )\n! Reaction Label R360 \n RKI( NCELL, 374) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9600D-14, 1.0000D+03 )\n! Reaction Label R361 \n RKI( NCELL, 375) = 1.2000D-12 * CFACT \n! Reaction Label R362 \n RKI( NCELL, 376) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.5000D-12, 5.0000D+02 )\n! Reaction Label R363 \n RKI( NCELL, 377) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.1300D-17, 2.9500D+03 )\n! Reaction Label TRP41 \n RKI( NCELL, 378) = 1.0000D-10 * CFACT \n! Reaction Label TRP42 \n RKI( NCELL, 379) = 1.0000D-10 * CFACT \n! Reaction Label TRP43 \n RKI( NCELL, 380) = 1.0000D-10 * CFACT \n! Reaction Label TRP44 \n RKI( NCELL, 381) = 1.0000D-10 * CFACT \n! Reaction Label TRP45 \n RKI( NCELL, 382) = 1.0000D-10 * CFACT \n! Reaction Label TRP46 \n RKI( NCELL, 383) = 1.0000D-10 * CFACT \n! Reaction Label TRP47 \n RKI( NCELL, 384) = 1.0000D-10 * CFACT \n! Reaction Label TRP48 \n RKI( NCELL, 385) = 1.0000D-10 * CFACT \n! Reaction Label TRP49 \n RKI( NCELL, 386) = 1.0000D-10 * CFACT \n! Reaction Label TRP50 \n RKI( NCELL, 387) = 1.0000D-10 * CFACT \n! Reaction Label TRP51 \n RKI( NCELL, 388) = 1.0000D-10 * CFACT \n! Reaction Label TRP52 \n RKI( NCELL, 389) = 1.0000D-10 * CFACT \n! Reaction Label RAM17 \n RKI( NCELL, 390) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.7800D-11, -4.0000D+02 )\n! Reaction Label R001c \n RKI( NCELL, 391) = 6.8900D-12 * CFACT \n! Reaction Label R002c \n RKI( NCELL, 392) = 6.5500D-14 * CFACT \n! Reaction Label T17 \n RKI( NCELL, 393) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.0000D-12, 3.8000D+02 )\n! Reaction Label T18 \n RKI( NCELL, 394) = 2.9000D-19 * CFACT \n! Reaction Label T19 \n RKI( NCELL, 395) = 3.4000D-15 * CFACT \n! Reaction Label T10 \n RKI( NCELL, 397) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.4800D-11, 4.4800D+02 )\n! Reaction Label T10a \n RKI( NCELL, 398) = 9.0500D-12 * CFACT \n! Reaction Label T10b \n RKI( NCELL, 399) = 2.3000D-12 * CFACT \n! Reaction Label T10c \n RKI( NCELL, 400) = 1.6100D-11 * CFACT \n! Reaction Label T10d \n RKI( NCELL, 401) = 2.3900D-12 * CFACT \n! Reaction Label T10e \n RKI( NCELL, 402) = 1.3700D-11 * CFACT \n! Reaction Label T11 \n RKI( NCELL, 403) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.3400D-14, -2.2830D+03 )\n! Reaction Label T12 \n RKI( NCELL, 404) = 1.0000D-13 * CFACT \n! Reaction Label R003c \n RKI( NCELL, 405) = 5.0100D-11 * CFACT \n! Reaction Label R004c \n RKI( NCELL, 406) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label R005c \n RKI( NCELL, 407) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.7500D-13, 9.8000D+02 )\n! Reaction Label R006c \n RKI( NCELL, 408) = 4.4000D-11 * CFACT \n! Reaction Label R007c \n RKI( NCELL, 409) = 3.4300D-17 * CFACT \n! Reaction Label R008c \n RKI( NCELL, 410) = 8.9900D-12 * CFACT \n! Reaction Label R010c \n RKI( NCELL, 411) = 1.2000D-11 * CFACT \n! Reaction Label R011c \n RKI( NCELL, 412) = 1.9000D-11 * CFACT \n! Reaction Label R012c \n RKI( NCELL, 413) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.8400D-13, 1.3000D+03 )\n! Reaction Label R013c \n RKI( NCELL, 414) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label R014c \n RKI( NCELL, 415) = 2.3000D-12 * CFACT \n! Reaction Label R015c \n RKI( NCELL, 416) = 1.2000D-14 * CFACT \n! Reaction Label R016c \n RKI( NCELL, 417) = 1.9700D-10 * CFACT \n! Reaction Label R017c \n RKI( NCELL, 418) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.8400D-13, 1.3000D+03 )\n! Reaction Label R019c \n RKI( NCELL, 419) = 2.3000D-12 * CFACT \n! Reaction Label R020c \n RKI( NCELL, 420) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label HET_GLY \n RKI( NCELL, 421) = BLKHET( NCELL, IK_HETERO_GLY )\n! Reaction Label HET_MGLY \n RKI( NCELL, 422) = BLKHET( NCELL, IK_HETERO_MGLY )\n! Reaction Label HET_N2O5 \n RKI( NCELL, 423) = BLKHET( NCELL, IK_HETERO_N2O5IJ )\n! Reaction Label HET_NO2 \n RKI( NCELL, 424) = BLKHET( NCELL, IK_HETERO_NO2 )\n! Reaction Label HET_HO2 \n RKI( NCELL, 425) = BLKHET( NCELL, IK_HETERO_HO2 )\n! Reaction Label HET_NO3 \n RKI( NCELL, 426) = BLKHET( NCELL, IK_HETERO_NO3 )\n! Reaction Label HET_IEPOX \n RKI( NCELL, 428) = BLKHET( NCELL, IK_HETERO_IEPOX )\n! Reaction Label HET_ISO3TET \n RKI( NCELL, 429) = BLKHET( NCELL, IK_HETERO_ISO3NOSJ )\n! Reaction Label HET_IEPOXOS \n RKI( NCELL, 430) = BLKHET( NCELL, IK_HETERO_ISO3OSJ )\n! Reaction Label HET_IPX \n RKI( NCELL, 431) = 2.0000D+00 * BLKHET( NCELL, IK_HETERO_IEPOX )\n! Reaction Label HET_INALD \n RKI( NCELL, 432) = 5.0000D-01 * BLKHET( NCELL, IK_HETERO_IEPOX )\n! Reaction Label ROCALK1c \n RKI( NCELL, 433) = 1.5300D-11 * CFACT \n! Reaction Label ROCALK2c \n RKI( NCELL, 434) = 1.6800D-11 * CFACT \n! Reaction Label ROCALK3c \n RKI( NCELL, 435) = 2.2400D-11 * CFACT \n! Reaction Label ROCALK4c \n RKI( NCELL, 436) = 2.6700D-11 * CFACT \n! Reaction Label ROCALK5c \n RKI( NCELL, 437) = 3.0900D-11 * CFACT \n! Reaction Label ROCALK6c \n RKI( NCELL, 438) = 3.3800D-11 * CFACT \n! Reaction Label HC1001 \n RKI( NCELL, 439) = 1.1000D-11 * CFACT \n! Reaction Label ROCALK7c \n RKI( NCELL, 440) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label ROCALK8c \n RKI( NCELL, 441) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label ROCALK9c \n RKI( NCELL, 442) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label ROCALK10c \n RKI( NCELL, 443) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label ROCALK11c \n RKI( NCELL, 444) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label ROCALK12c \n RKI( NCELL, 445) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label HC1002 \n RKI( NCELL, 446) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label ROCALK13c \n RKI( NCELL, 447) = 2.3000D-12 * CFACT \n! Reaction Label ROCALK14c \n RKI( NCELL, 448) = 2.3000D-12 * CFACT \n! Reaction Label ROCALK15c \n RKI( NCELL, 449) = 2.3000D-12 * CFACT \n! Reaction Label ROCALK16c \n RKI( NCELL, 450) = 2.3000D-12 * CFACT \n! Reaction Label ROCALK17c \n RKI( NCELL, 451) = 2.3000D-12 * CFACT \n! Reaction Label ROCALK18c \n RKI( NCELL, 452) = 2.3000D-12 * CFACT \n! Reaction Label HC1003 \n RKI( NCELL, 453) = 2.3000D-12 * CFACT \n! Reaction Label ROCALK19c \n RKI( NCELL, 454) = 2.1700D-11 * CFACT \n! Reaction Label ROCALK20c \n RKI( NCELL, 455) = 2.2000D-11 * CFACT \n! Reaction Label ROCALK21c \n RKI( NCELL, 456) = 2.2500D-11 * CFACT \n! Reaction Label ROCALK22c \n RKI( NCELL, 457) = 2.2600D-11 * CFACT \n! Reaction Label ROCALK23c \n RKI( NCELL, 458) = 2.2700D-11 * CFACT \n! Reaction Label ROCALK24c \n RKI( NCELL, 459) = 2.2700D-11 * CFACT \n! Reaction Label HC1004 \n RKI( NCELL, 460) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.6600D-13, 1.3000D+03 )\n! Reaction Label ROCALK25c \n RKI( NCELL, 461) = 1.8800D-01 * SFACT \n! Reaction Label ROCALK26c \n RKI( NCELL, 462) = 1.8800D-01 * SFACT \n! Reaction Label ROCALK27c \n RKI( NCELL, 463) = 1.8800D-01 * SFACT \n! Reaction Label ROCALK28c \n RKI( NCELL, 464) = 1.8800D-01 * SFACT \n! Reaction Label ROCALK29c \n RKI( NCELL, 465) = 1.8800D-01 * SFACT \n! Reaction Label ROCALK30c \n RKI( NCELL, 466) = 1.8800D-01 * SFACT \n! Reaction Label HC1005 \n RKI( NCELL, 467) = 1.8800D-01 * SFACT \n! Reaction Label ROCALK31c \n RKI( NCELL, 468) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label ROCALK32c \n RKI( NCELL, 469) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label ROCALK33c \n RKI( NCELL, 470) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label ROCALK34c \n RKI( NCELL, 471) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label ROCALK35c \n RKI( NCELL, 472) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label ROCALK36c \n RKI( NCELL, 473) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label HC1006 \n RKI( NCELL, 474) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label ROCALK37c \n RKI( NCELL, 475) = 2.3000D-12 * CFACT \n! Reaction Label ROCALK38c \n RKI( NCELL, 476) = 2.3000D-12 * CFACT \n! Reaction Label ROCALK39c \n RKI( NCELL, 477) = 2.3000D-12 * CFACT \n! Reaction Label ROCALK40c \n RKI( NCELL, 478) = 2.3000D-12 * CFACT \n! Reaction Label ROCALK41c \n RKI( NCELL, 479) = 2.3000D-12 * CFACT \n! Reaction Label ROCALK42c \n RKI( NCELL, 480) = 2.3000D-12 * CFACT \n! Reaction Label HC1007 \n RKI( NCELL, 481) = 2.3000D-12 * CFACT \n! Reaction Label ROCALK43c \n RKI( NCELL, 482) = 2.1700D-11 * CFACT \n! Reaction Label ROCALK44c \n RKI( NCELL, 483) = 2.2000D-11 * CFACT \n! Reaction Label ROCALK45c \n RKI( NCELL, 484) = 2.2500D-11 * CFACT \n! Reaction Label ROCALK46c \n RKI( NCELL, 485) = 2.2600D-11 * CFACT \n! Reaction Label ROCALK47c \n RKI( NCELL, 486) = 2.2700D-11 * CFACT \n! Reaction Label ROCALK48c \n RKI( NCELL, 487) = 2.2700D-11 * CFACT \n! Reaction Label HC1008 \n RKI( NCELL, 488) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.6600D-13, 1.3000D+03 )\n! Reaction Label ROCARO01 \n RKI( NCELL, 489) = 1.8100D-11 * CFACT \n! Reaction Label ROCARO02 \n RKI( NCELL, 490) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9100D-13, 1.3000D+03 )\n! Reaction Label ROCARO03 \n RKI( NCELL, 491) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label ROCARO04 \n RKI( NCELL, 492) = 2.3000D-12 * CFACT \n! Reaction Label ROCARO05 \n RKI( NCELL, 493) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.5600D-14, 7.0800D+02 )\n! Reaction Label ROCARO06 \n RKI( NCELL, 494) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4000D-13, 7.6500D+02 )\n! Reaction Label ROCARO11 \n RKI( NCELL, 495) = 1.8100D-11 * CFACT \n! Reaction Label ROCARO12 \n RKI( NCELL, 496) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9100D-13, 1.3000D+03 )\n! Reaction Label ROCARO13 \n RKI( NCELL, 497) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label ROCARO14 \n RKI( NCELL, 498) = 2.3000D-12 * CFACT \n! Reaction Label ROCARO15 \n RKI( NCELL, 499) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.5600D-14, 7.0800D+02 )\n! Reaction Label ROCARO16 \n RKI( NCELL, 500) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4000D-13, 7.6500D+02 )\n! Reaction Label ROCARO21 \n RKI( NCELL, 501) = 2.3100D-11 * CFACT \n! Reaction Label ROCARO22 \n RKI( NCELL, 502) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9100D-13, 1.3000D+03 )\n! Reaction Label ROCARO23 \n RKI( NCELL, 503) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label ROCARO24 \n RKI( NCELL, 504) = 2.3000D-12 * CFACT \n! Reaction Label ROCARO25 \n RKI( NCELL, 505) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.5600D-14, 7.0800D+02 )\n! Reaction Label ROCARO26 \n RKI( NCELL, 506) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4000D-13, 7.6500D+02 )\n! Reaction Label ROCOXY1c \n RKI( NCELL, 507) = 5.9000D-11 * CFACT \n! Reaction Label ROCOXY2c \n RKI( NCELL, 508) = 6.0700D-11 * CFACT \n! Reaction Label ROCOXY3c \n RKI( NCELL, 509) = 5.5400D-11 * CFACT \n! Reaction Label ROCOXY4c \n RKI( NCELL, 510) = 5.6300D-11 * CFACT \n! Reaction Label ROCOXY5c \n RKI( NCELL, 511) = 5.4600D-11 * CFACT \n! Reaction Label ROCOXY6c \n RKI( NCELL, 512) = 4.5000D-11 * CFACT \n! Reaction Label ROCOXY7c \n RKI( NCELL, 513) = 5.1700D-11 * CFACT \n! Reaction Label ROCOXY8c \n RKI( NCELL, 514) = 4.7300D-11 * CFACT \n! Reaction Label ROCOXY9c \n RKI( NCELL, 515) = 4.6000D-11 * CFACT \n! Reaction Label ROCOXY10c \n RKI( NCELL, 516) = 3.8000D-11 * CFACT \n! Reaction Label ROCOXY11c \n RKI( NCELL, 517) = 3.9300D-11 * CFACT \n! Reaction Label ROCOXY12c \n RKI( NCELL, 518) = 3.5200D-11 * CFACT \n! Reaction Label ROCOXY13c \n RKI( NCELL, 519) = 3.1200D-11 * CFACT \n! Reaction Label ROCOXY14c \n RKI( NCELL, 520) = 2.4000D-11 * CFACT \n! Reaction Label ROCOXY15c \n RKI( NCELL, 521) = 2.0500D-11 * CFACT \n! Reaction Label ROCOXY16c \n RKI( NCELL, 522) = 4.6900D-11 * CFACT \n! Reaction Label R364 \n RKI( NCELL, 523) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.4500D-12, -1.7750D+03 )\n! Reaction Label TRP58 \n RKI( NCELL, 524) = 9.2600D-05 * SFACT \n! Reaction Label TRP59 \n RKI( NCELL, 525) = 9.2600D-05 * SFACT \n! Reaction Label ROCARO71 \n RKI( NCELL, 526) = 5.8000D-11 * CFACT \n! Reaction Label ROCARO72 \n RKI( NCELL, 527) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9100D-12, 1.3000D+03 )\n! Reaction Label ROCARO73 \n RKI( NCELL, 528) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label ROCARO74 \n RKI( NCELL, 529) = 2.3000D-12 * CFACT \n! Reaction Label ROCARO75 \n RKI( NCELL, 530) = 2.5000D-13 * CFACT \n! Reaction Label ROCARO76 \n RKI( NCELL, 531) = 2.5000D-13 * CFACT \n\n END DO \n! Multiply rate constants by [M], [O2], [N2], [H2O], [H2], or [CH4]\n! where needed and return\n IF ( NWM .GT. 0 ) THEN\n DO NRT = 1, NWM\n IRXN = NRXWM( NRT )\n DO NCELL = 1, NUMCELLS\n RKI( NCELL,IRXN ) = RKI( NCELL,IRXN ) * ATM_AIR\n END DO\n END DO\n END IF\n IF ( NWO2 .GT. 0 ) THEN\n DO NRT = 1, NWO2\n IRXN = NRXWO2( NRT )\n DO NCELL = 1, NUMCELLS\n RKI( NCELL,IRXN ) = RKI( NCELL,IRXN ) * ATM_O2\n END DO\n END DO\n END IF\n IF ( NWN2 .GT. 0 ) THEN\n DO NRT = 1, NWN2\n IRXN = NRXWN2( NRT )\n DO NCELL = 1, NUMCELLS\n RKI( NCELL,IRXN ) = RKI( NCELL,IRXN ) * ATM_N2\n END DO\n END DO\n END IF\n IF ( NWW .GT. 0 ) THEN\n DO NRT = 1, NWW\n IRXN = NRXWW( NRT )\n DO NCELL = 1, NUMCELLS\n RKI( NCELL,IRXN ) = RKI( NCELL,IRXN ) * BLKH2O( NCELL )\n END DO\n END DO\n END IF\n IF ( NWH2 .GT. 0 ) THEN\n DO NRT = 1, NWH2\n IRXN = NRXWH2( NRT )\n DO NCELL = 1, NUMCELLS\n RKI( NCELL,IRXN ) = RKI( NCELL,IRXN ) * ATM_H2\n END DO\n END DO\n END IF\n IF ( NWCH4 .GT. 0 ) THEN\n DO NRT = 1, NWCH4\n IRXN = NRXWCH4( NRT )\n DO NCELL = 1, NUMCELLS\n RKI( NCELL,IRXN ) = RKI( NCELL,IRXN ) * ATM_CH4\n END DO\n END DO\n END IF\n RETURN\n END SUBROUTINE CALC_RCONST\n FUNCTION MAP_CHEMISTRY_SPECIES() RESULT ( SUCCESS )\n\n! Purpose find or test the CGRID Index, Species Type, and Conversion Factor\n! for the Mechanism against the CMAQ namelists\n\n USE UTILIO_DEFN\n USE CGRID_SPCS\n USE RXNS_DATA\n\n IMPLICIT NONE\n\n!Parameters:\n CHARACTER( 1 ), PARAMETER :: BL = ' '\n INTEGER, PARAMETER :: SPC_DIM = 200\n!Local:\n\n LOGICAL SUCCESS\n INTEGER I, IOS, J\n INTEGER I1, I2, I3, I4 ! SURROGATE TYPE 1 COUNTERS\n INTEGER J1, J2 ! SURROGATE TYPE 2 COUNTERS\n INTEGER K1, K2, K3, K4, K5 ! CONTROL TYPE COUNTERS\n INTEGER ICALL\n\n LOGICAL :: ORDER = .TRUE.\n LOGICAL :: FOUND = .TRUE.\n\n CHARACTER( 120 ) :: XMSG\n\n CHARACTER( 16 ), ALLOCATABLE :: CGRID_SPC ( : )\n CHARACTER( 16 ), ALLOCATABLE :: NML_SPC ( : )\n CHARACTER( 2 ), ALLOCATABLE :: NML_TYPE ( : )\n INTEGER, ALLOCATABLE :: NML_INDEX ( : )\n LOGICAL, ALLOCATABLE :: NML_CONVERT( : )\n REAL, ALLOCATABLE :: NML_MOLWT ( : )\n REAL :: DELTA ! fractional difference\n\n LOGICAL, SAVE :: INITIALIZED = .FALSE.\n\n IF( INITIALIZED )RETURN\n\n INITIALIZED = .TRUE.\n SUCCESS = .TRUE.\n\n\n ALLOCATE ( CGRID_SPC( NSPCSD - 1 ), &\n & NML_SPC ( NSPCSD - 1 ), &\n & NML_INDEX( NSPCSD - 1 ), &\n & NML_TYPE( NSPCSD - 1 ), &\n & NML_CONVERT( NSPCSD - 1 ), &\n & NML_MOLWT( NSPCSD - 1 ), &\n & STAT = IOS )\n\n\n J = 0\n\n\n NML_INDEX = -1\n TYPE_INDEX = -1\n NML_TYPE = '??'\n NML_CONVERT = .FALSE.\n\n DO I = 1, N_GC_SPC ! load gc names and indices\n J = J + 1\n CGRID_SPC( I ) = GC_SPC( I )\n NML_INDEX( J ) = I + GC_STRT -1\n NML_TYPE( J ) = 'GC'\n NML_MOLWT( J ) = GC_MOLWT( I )\n END DO\n\n DO I = 1, N_AE_SPC ! load ae names and indices\n J = J + 1\n CGRID_SPC( J ) = AE_SPC( I )\n NML_INDEX( J ) = I + AE_STRT - 1\n NML_TYPE( J ) = 'AE'\n NML_CONVERT( J ) = .TRUE.\n NML_MOLWT( J ) = AE_MOLWT( I )\n END DO\n\n DO I = 1, N_NR_SPC ! load nr names and indices\n J = J + 1\n CGRID_SPC( J ) = NR_SPC( I )\n NML_INDEX( J ) = I + NR_STRT - 1\n NML_TYPE( J ) = 'NR'\n NML_MOLWT( J ) = NR_MOLWT( I )\n END DO\n\n DO I = 1, N_TR_SPC ! load tr names and indices\n J = J + 1\n CGRID_SPC( J ) = TR_SPC( I )\n NML_INDEX( J ) = I + TR_STRT - 1\n NML_TYPE( J ) = 'TR'\n NML_MOLWT( J ) = TR_MOLWT( I )\n END DO\n\n NML_SPC( 1:(NSPCSD-1) ) = CGRID_SPC( 1:(NSPCSD-1) )\n\n\n! determine if mechanism species are in cgrid species\n\n DO I = 1, NUMB_MECH_SPC\n! set species informations arrays using SPECIES_LIST array before mapping\n CHEMISTRY_SPC( I ) = SPECIES_LIST( I )%CHEMISTRY_SPC\n CGRID_INDEX ( I ) = SPECIES_LIST( I )%CGRID_INDEX\n SPECIES_TYPE ( I ) = SPECIES_LIST( I )%SPECIES_TYPE\n CONVERT_CONC ( I ) = SPECIES_LIST( I )%CONVERT_CONC\n SPECIES_MOLWT( I ) = SPECIES_LIST( I )%SPECIES_MOLWT\n\n I1 = INDEX1R( CHEMISTRY_SPC( I ), (NSPCSD-1), CGRID_SPC )\n IF ( I1 .LT. 1 ) THEN\n FOUND = .FALSE.\n ELSE\n FOUND = .TRUE.\n IF( .NOT. MAPPED_TO_CGRID )THEN\n CGRID_INDEX( I ) = NML_INDEX( I1 )\n SPECIES_TYPE( I ) = NML_TYPE ( I1 )\n SPECIES_MOLWT( I ) = NML_MOLWT( I1 )\n CONVERT_CONC( I ) = NML_CONVERT( I1 )\n ELSE\n IF(CGRID_INDEX( I ) .NE. NML_INDEX( I1 ))THEN\n SUCCESS = .FALSE.\n XMSG = '*** For Species ' // TRIM( CHEMISTRY_SPC( I ) ) &\n & // ' cgrid index does not match mechanism value.'\n WRITE( LOGDEV,'( /5X, A )' ) TRIM( XMSG )\n WRITE( XMSG,'(A,I3,1X,I3)')'CGRID Indices: Mechanism and NML Values are ', &\n & CGRID_INDEX( I ),NML_INDEX( I1 )\n WRITE( LOGDEV,'( 5X, A )' )XMSG\n END IF\n IF(CONVERT_CONC( I ) .NEQV. NML_CONVERT( I1 ))THEN\n SUCCESS = .FALSE.\n XMSG = '*** For Species ' // TRIM( CHEMISTRY_SPC( I ) ) &\n & // ' species unit conversion flag does not match mechanism value.'\n WRITE( LOGDEV,'( /5X, A )' ) TRIM( XMSG )\n WRITE( XMSG,'(A,1X,L21X,L2)')'CONVERSION FLAGS: Mechanism and NML Values are ', &\n & CONVERT_CONC( I ),NML_CONVERT( I1 )\n WRITE( LOGDEV,'( 5X, A )' )XMSG\n WRITE( XMSG,'(A,1X,A3,1X,A3)')'SPECIES TYPE: Mechanism and NML Values are ', &\n & SPECIES_TYPE( I ),NML_TYPE( I1 )\n WRITE( LOGDEV,'( 5X, A )' )XMSG\n END IF\n DELTA = ( SPECIES_MOLWT( I ) - NML_MOLWT( I1 ) )/MAX(NML_MOLWT( I1 ),1.0E-20)\n IF( ABS( DELTA ) .GE. 0.05 )THEN\n IF( CONVERT_CONC( I ) )SUCCESS = .FALSE.\n XMSG = '*** For Species ' // TRIM( CHEMISTRY_SPC( I ) ) &\n & // ' species molecular weight does not match mechanism value.'\n WRITE( LOGDEV,'( /5X, A )' ) TRIM( XMSG )\n WRITE( XMSG,'(A,2(ES12.4,1X))')'Molecular Weight: Mechanism and NML Values are ', &\n & SPECIES_MOLWT( I ), NML_MOLWT( I1 )\n WRITE( LOGDEV,'( 5X, A )' )XMSG\n END IF\n END IF\n END IF\n IF( INDEX( CHEMISTRY_SPC( I ), 'SRF') .GT. 0 )THEN\n SUCCESS = .FALSE.\n XMSG = '*** reactions cannot use modal aerosol surface area as species'\n WRITE( LOGDEV,'( /5X, A )' ) TRIM( XMSG )\n XMSG = TRIM( CHEMISTRY_SPC( I ) )\n WRITE( LOGDEV,'( 2X, A )' ) TRIM( XMSG )\n END IF\n IF( INDEX( CHEMISTRY_SPC( I ), 'NUM') .GT. 0 )THEN\n SUCCESS = .FALSE.\n XMSG = '*** reactions cannot use modal aerosol number density as species'\n WRITE( LOGDEV,'( /5X, A )' ) TRIM( XMSG )\n XMSG = TRIM( CHEMISTRY_SPC( I ) )\n WRITE( LOGDEV,'( 2X, A )' ) TRIM( XMSG )\n END IF\n IF ( .NOT. FOUND ) THEN\n XMSG = 'Fatal error: Mechanism Species found not in species namelist:'\n WRITE( LOGDEV,'( /5X, A )', ADVANCE = 'NO' ) TRIM( XMSG )\n XMSG = TRIM( CHEMISTRY_SPC( I ) )\n WRITE( LOGDEV,'( 2X, A )' ) TRIM( XMSG )\n SUCCESS = .FALSE.\n END IF\n END DO\n\n IF( SUCCESS )RETURN\n\n WRITE(LOGDEV,99901)TRIM( MECHNAME )\n XMSG = 'The FATAL errors found in namelist used. Check ' &\n & // 'the log of exiting processor if more details are needed.'\n CALL M3WARN('MAP_CHEMISTRY_SPECIES',0,0,XMSG)\n\n\n99901 FORMAT( / 'FATAL error(s) found in the namelists used. Check that ' &\n & / 'these namelists contain the above data as the respective files ' &\n & / 'in the respository version of the mechanism: ' , A )\n\n RETURN\n\n END FUNCTION MAP_CHEMISTRY_SPECIES\n!----------------------------------------------------------------------------------------\n INTEGER FUNCTION INDEX1R ( NAME, N, NLIST )\n IMPLICIT NONE\n CHARACTER( * ) NAME ! character string being searched for\n INTEGER N ! length of array to be searched\n CHARACTER( * ) NLIST( : ) ! array to be searched\n\n INTEGER I\n\n DO I = 1, N\n IF ( NAME .EQ. NLIST( I ) ) THEN\n INDEX1R = I\n RETURN\n END IF\n END DO\n INDEX1R = 0\n RETURN\n\n END FUNCTION INDEX1R\n SUBROUTINE RESET_SPECIES_POINTERS( IOLD2NEW )\n\n USE RXNS_DATA\n IMPLICIT NONE\n INTEGER, INTENT( IN ) :: IOLD2NEW( :,: ) \n\n\n INDEX_O3 = IOLD2NEW( INDEX_O3 , 1 )\n INDEX_O3P = IOLD2NEW( INDEX_O3P , 1 )\n INDEX_O1D = IOLD2NEW( INDEX_O1D , 1 )\n INDEX_H2O2 = IOLD2NEW( INDEX_H2O2 , 1 )\n INDEX_HO = IOLD2NEW( INDEX_HO , 1 )\n INDEX_NO2 = IOLD2NEW( INDEX_NO2 , 1 )\n INDEX_NO = IOLD2NEW( INDEX_NO , 1 )\n INDEX_NO3 = IOLD2NEW( INDEX_NO3 , 1 )\n INDEX_HONO = IOLD2NEW( INDEX_HONO , 1 )\n INDEX_HNO3 = IOLD2NEW( INDEX_HNO3 , 1 )\n INDEX_HNO4 = IOLD2NEW( INDEX_HNO4 , 1 )\n INDEX_HO2 = IOLD2NEW( INDEX_HO2 , 1 )\n INDEX_HCHO = IOLD2NEW( INDEX_HCHO , 1 )\n INDEX_CO = IOLD2NEW( INDEX_CO , 1 )\n INDEX_ACD = IOLD2NEW( INDEX_ACD , 1 )\n INDEX_MO2 = IOLD2NEW( INDEX_MO2 , 1 )\n INDEX_ALD = IOLD2NEW( INDEX_ALD , 1 )\n INDEX_ETHP = IOLD2NEW( INDEX_ETHP , 1 )\n INDEX_ACT = IOLD2NEW( INDEX_ACT , 1 )\n INDEX_ACO3 = IOLD2NEW( INDEX_ACO3 , 1 )\n INDEX_UALD = IOLD2NEW( INDEX_UALD , 1 )\n INDEX_KET = IOLD2NEW( INDEX_KET , 1 )\n INDEX_PINAL = IOLD2NEW( INDEX_PINAL , 1 )\n INDEX_HC10P = IOLD2NEW( INDEX_HC10P , 1 )\n INDEX_LIMAL = IOLD2NEW( INDEX_LIMAL , 1 )\n INDEX_MEK = IOLD2NEW( INDEX_MEK , 1 )\n INDEX_HKET = IOLD2NEW( INDEX_HKET , 1 )\n INDEX_MACR = IOLD2NEW( INDEX_MACR , 1 )\n INDEX_MACP = IOLD2NEW( INDEX_MACP , 1 )\n INDEX_XO2 = IOLD2NEW( INDEX_XO2 , 1 )\n INDEX_MVK = IOLD2NEW( INDEX_MVK , 1 )\n INDEX_GLY = IOLD2NEW( INDEX_GLY , 1 )\n INDEX_MGLY = IOLD2NEW( INDEX_MGLY , 1 )\n INDEX_DCB1 = IOLD2NEW( INDEX_DCB1 , 1 )\n INDEX_DCB2 = IOLD2NEW( INDEX_DCB2 , 1 )\n INDEX_BALD = IOLD2NEW( INDEX_BALD , 1 )\n INDEX_CHO = IOLD2NEW( INDEX_CHO , 1 )\n INDEX_OP1 = IOLD2NEW( INDEX_OP1 , 1 )\n INDEX_OP2 = IOLD2NEW( INDEX_OP2 , 1 )\n INDEX_OPB = IOLD2NEW( INDEX_OPB , 1 )\n INDEX_OP3 = IOLD2NEW( INDEX_OP3 , 1 )\n INDEX_PAA = IOLD2NEW( INDEX_PAA , 1 )\n INDEX_ONIT = IOLD2NEW( INDEX_ONIT , 1 )\n INDEX_PAN = IOLD2NEW( INDEX_PAN , 1 )\n INDEX_TRPN = IOLD2NEW( INDEX_TRPN , 1 )\n INDEX_HONIT = IOLD2NEW( INDEX_HONIT , 1 )\n INDEX_N2O5 = IOLD2NEW( INDEX_N2O5 , 1 )\n INDEX_SO2 = IOLD2NEW( INDEX_SO2 , 1 )\n INDEX_SULF = IOLD2NEW( INDEX_SULF , 1 )\n INDEX_SULRXN = IOLD2NEW( INDEX_SULRXN , 1 )\n INDEX_ETH = IOLD2NEW( INDEX_ETH , 1 )\n INDEX_HC3 = IOLD2NEW( INDEX_HC3 , 1 )\n INDEX_HC3P = IOLD2NEW( INDEX_HC3P , 1 )\n INDEX_ASOATJ = IOLD2NEW( INDEX_ASOATJ , 1 )\n INDEX_HC5 = IOLD2NEW( INDEX_HC5 , 1 )\n INDEX_HC5P = IOLD2NEW( INDEX_HC5P , 1 )\n INDEX_ETE = IOLD2NEW( INDEX_ETE , 1 )\n INDEX_ETEP = IOLD2NEW( INDEX_ETEP , 1 )\n INDEX_OLT = IOLD2NEW( INDEX_OLT , 1 )\n INDEX_OLTP = IOLD2NEW( INDEX_OLTP , 1 )\n INDEX_OLI = IOLD2NEW( INDEX_OLI , 1 )\n INDEX_OLIP = IOLD2NEW( INDEX_OLIP , 1 )\n INDEX_ACE = IOLD2NEW( INDEX_ACE , 1 )\n INDEX_ORA1 = IOLD2NEW( INDEX_ORA1 , 1 )\n INDEX_BEN = IOLD2NEW( INDEX_BEN , 1 )\n INDEX_BENP = IOLD2NEW( INDEX_BENP , 1 )\n INDEX_PHEN = IOLD2NEW( INDEX_PHEN , 1 )\n INDEX_TOL = IOLD2NEW( INDEX_TOL , 1 )\n INDEX_TOLP = IOLD2NEW( INDEX_TOLP , 1 )\n INDEX_CSL = IOLD2NEW( INDEX_CSL , 1 )\n INDEX_XYL = IOLD2NEW( INDEX_XYL , 1 )\n INDEX_XYLP = IOLD2NEW( INDEX_XYLP , 1 )\n INDEX_EBZ = IOLD2NEW( INDEX_EBZ , 1 )\n INDEX_EBZP = IOLD2NEW( INDEX_EBZP , 1 )\n INDEX_ISO = IOLD2NEW( INDEX_ISO , 1 )\n INDEX_ISON = IOLD2NEW( INDEX_ISON , 1 )\n INDEX_INO2 = IOLD2NEW( INDEX_INO2 , 1 )\n INDEX_ISOP = IOLD2NEW( INDEX_ISOP , 1 )\n INDEX_ISHP = IOLD2NEW( INDEX_ISHP , 1 )\n INDEX_IEPOX = IOLD2NEW( INDEX_IEPOX , 1 )\n INDEX_IPX = IOLD2NEW( INDEX_IPX , 1 )\n INDEX_INALD = IOLD2NEW( INDEX_INALD , 1 )\n INDEX_ROH = IOLD2NEW( INDEX_ROH , 1 )\n INDEX_API = IOLD2NEW( INDEX_API , 1 )\n INDEX_APIP1 = IOLD2NEW( INDEX_APIP1 , 1 )\n INDEX_APIP2 = IOLD2NEW( INDEX_APIP2 , 1 )\n INDEX_LIM = IOLD2NEW( INDEX_LIM , 1 )\n INDEX_LIMP1 = IOLD2NEW( INDEX_LIMP1 , 1 )\n INDEX_LIMP2 = IOLD2NEW( INDEX_LIMP2 , 1 )\n INDEX_PINALP = IOLD2NEW( INDEX_PINALP , 1 )\n INDEX_RCO3 = IOLD2NEW( INDEX_RCO3 , 1 )\n INDEX_LIMALP = IOLD2NEW( INDEX_LIMALP , 1 )\n INDEX_ACTP = IOLD2NEW( INDEX_ACTP , 1 )\n INDEX_MEKP = IOLD2NEW( INDEX_MEKP , 1 )\n INDEX_KETP = IOLD2NEW( INDEX_KETP , 1 )\n INDEX_MCP = IOLD2NEW( INDEX_MCP , 1 )\n INDEX_MVKP = IOLD2NEW( INDEX_MVKP , 1 )\n INDEX_UALP = IOLD2NEW( INDEX_UALP , 1 )\n INDEX_DCB3 = IOLD2NEW( INDEX_DCB3 , 1 )\n INDEX_BALP = IOLD2NEW( INDEX_BALP , 1 )\n INDEX_ADDC = IOLD2NEW( INDEX_ADDC , 1 )\n INDEX_MCT = IOLD2NEW( INDEX_MCT , 1 )\n INDEX_MCTO = IOLD2NEW( INDEX_MCTO , 1 )\n INDEX_MOH = IOLD2NEW( INDEX_MOH , 1 )\n INDEX_EOH = IOLD2NEW( INDEX_EOH , 1 )\n INDEX_ETEG = IOLD2NEW( INDEX_ETEG , 1 )\n INDEX_MAHP = IOLD2NEW( INDEX_MAHP , 1 )\n INDEX_ORA2 = IOLD2NEW( INDEX_ORA2 , 1 )\n INDEX_ORAP = IOLD2NEW( INDEX_ORAP , 1 )\n INDEX_PPN = IOLD2NEW( INDEX_PPN , 1 )\n INDEX_MPAN = IOLD2NEW( INDEX_MPAN , 1 )\n INDEX_MCTP = IOLD2NEW( INDEX_MCTP , 1 )\n INDEX_OLNN = IOLD2NEW( INDEX_OLNN , 1 )\n INDEX_OLND = IOLD2NEW( INDEX_OLND , 1 )\n INDEX_APINP1 = IOLD2NEW( INDEX_APINP1 , 1 )\n INDEX_APINP2 = IOLD2NEW( INDEX_APINP2 , 1 )\n INDEX_LIMNP1 = IOLD2NEW( INDEX_LIMNP1 , 1 )\n INDEX_LIMNP2 = IOLD2NEW( INDEX_LIMNP2 , 1 )\n INDEX_ADCN = IOLD2NEW( INDEX_ADCN , 1 )\n INDEX_HOM = IOLD2NEW( INDEX_HOM , 1 )\n INDEX_VROCP4OXY2 = IOLD2NEW( INDEX_VROCP4OXY2 , 1 )\n INDEX_VROCN1OXY6 = IOLD2NEW( INDEX_VROCN1OXY6 , 1 )\n INDEX_FURANONE = IOLD2NEW( INDEX_FURANONE , 1 )\n INDEX_VROCP3OXY2 = IOLD2NEW( INDEX_VROCP3OXY2 , 1 )\n INDEX_VROCP0OXY4 = IOLD2NEW( INDEX_VROCP0OXY4 , 1 )\n INDEX_BAL1 = IOLD2NEW( INDEX_BAL1 , 1 )\n INDEX_BAL2 = IOLD2NEW( INDEX_BAL2 , 1 )\n INDEX_ELHOM = IOLD2NEW( INDEX_ELHOM , 1 )\n INDEX_VROCIOXY = IOLD2NEW( INDEX_VROCIOXY , 1 )\n INDEX_SLOWROC = IOLD2NEW( INDEX_SLOWROC , 1 )\n INDEX_ACRO = IOLD2NEW( INDEX_ACRO , 1 )\n INDEX_BDE13 = IOLD2NEW( INDEX_BDE13 , 1 )\n INDEX_BDE13P = IOLD2NEW( INDEX_BDE13P , 1 )\n INDEX_FURAN = IOLD2NEW( INDEX_FURAN , 1 )\n INDEX_FURANO2 = IOLD2NEW( INDEX_FURANO2 , 1 )\n INDEX_PROG = IOLD2NEW( INDEX_PROG , 1 )\n INDEX_SESQ = IOLD2NEW( INDEX_SESQ , 1 )\n INDEX_SESQNRO2 = IOLD2NEW( INDEX_SESQNRO2 , 1 )\n INDEX_VROCN2OXY2 = IOLD2NEW( INDEX_VROCN2OXY2 , 1 )\n INDEX_SESQRO2 = IOLD2NEW( INDEX_SESQRO2 , 1 )\n INDEX_VROCP0OXY2 = IOLD2NEW( INDEX_VROCP0OXY2 , 1 )\n INDEX_VROCP1OXY3 = IOLD2NEW( INDEX_VROCP1OXY3 , 1 )\n INDEX_AGLYJ = IOLD2NEW( INDEX_AGLYJ , 1 )\n INDEX_IEPOXP = IOLD2NEW( INDEX_IEPOXP , 1 )\n INDEX_AISO3NOSJ = IOLD2NEW( INDEX_AISO3NOSJ , 1 )\n INDEX_ASO4J = IOLD2NEW( INDEX_ASO4J , 1 )\n INDEX_AISO3OSJ = IOLD2NEW( INDEX_AISO3OSJ , 1 )\n INDEX_AISO4J = IOLD2NEW( INDEX_AISO4J , 1 )\n INDEX_AISO5J = IOLD2NEW( INDEX_AISO5J , 1 )\n INDEX_VROCP6ALK = IOLD2NEW( INDEX_VROCP6ALK , 1 )\n INDEX_VROCP6ALKP = IOLD2NEW( INDEX_VROCP6ALKP , 1 )\n INDEX_VROCP5ALK = IOLD2NEW( INDEX_VROCP5ALK , 1 )\n INDEX_VROCP5ALKP = IOLD2NEW( INDEX_VROCP5ALKP , 1 )\n INDEX_VROCP4ALK = IOLD2NEW( INDEX_VROCP4ALK , 1 )\n INDEX_VROCP4ALKP = IOLD2NEW( INDEX_VROCP4ALKP , 1 )\n INDEX_VROCP3ALK = IOLD2NEW( INDEX_VROCP3ALK , 1 )\n INDEX_VROCP3ALKP = IOLD2NEW( INDEX_VROCP3ALKP , 1 )\n INDEX_VROCP2ALK = IOLD2NEW( INDEX_VROCP2ALK , 1 )\n INDEX_VROCP2ALKP = IOLD2NEW( INDEX_VROCP2ALKP , 1 )\n INDEX_VROCP1ALK = IOLD2NEW( INDEX_VROCP1ALK , 1 )\n INDEX_VROCP1ALKP = IOLD2NEW( INDEX_VROCP1ALKP , 1 )\n INDEX_HC10 = IOLD2NEW( INDEX_HC10 , 1 )\n INDEX_VROCP6ALKP2 = IOLD2NEW( INDEX_VROCP6ALKP2, 1 )\n INDEX_VROCP5ALKP2 = IOLD2NEW( INDEX_VROCP5ALKP2, 1 )\n INDEX_VROCP4ALKP2 = IOLD2NEW( INDEX_VROCP4ALKP2, 1 )\n INDEX_VROCP2OXY2 = IOLD2NEW( INDEX_VROCP2OXY2 , 1 )\n INDEX_VROCP3ALKP2 = IOLD2NEW( INDEX_VROCP3ALKP2, 1 )\n INDEX_VROCP1OXY1 = IOLD2NEW( INDEX_VROCP1OXY1 , 1 )\n INDEX_VROCP2ALKP2 = IOLD2NEW( INDEX_VROCP2ALKP2, 1 )\n INDEX_VROCP1ALKP2 = IOLD2NEW( INDEX_VROCP1ALKP2, 1 )\n INDEX_VROCN1OXY1 = IOLD2NEW( INDEX_VROCN1OXY1 , 1 )\n INDEX_HC10P2 = IOLD2NEW( INDEX_HC10P2 , 1 )\n INDEX_VROCP6ARO = IOLD2NEW( INDEX_VROCP6ARO , 1 )\n INDEX_VROCP6AROP = IOLD2NEW( INDEX_VROCP6AROP , 1 )\n INDEX_VROCN2OXY4 = IOLD2NEW( INDEX_VROCN2OXY4 , 1 )\n INDEX_VROCN1OXY3 = IOLD2NEW( INDEX_VROCN1OXY3 , 1 )\n INDEX_VROCP5ARO = IOLD2NEW( INDEX_VROCP5ARO , 1 )\n INDEX_VROCP5AROP = IOLD2NEW( INDEX_VROCP5AROP , 1 )\n INDEX_NAPH = IOLD2NEW( INDEX_NAPH , 1 )\n INDEX_NAPHP = IOLD2NEW( INDEX_NAPHP , 1 )\n INDEX_VROCN2OXY8 = IOLD2NEW( INDEX_VROCN2OXY8 , 1 )\n INDEX_VROCP5OXY1 = IOLD2NEW( INDEX_VROCP5OXY1 , 1 )\n INDEX_VROCP6OXY1 = IOLD2NEW( INDEX_VROCP6OXY1 , 1 )\n INDEX_ECH4 = IOLD2NEW( INDEX_ECH4 , 1 )\n INDEX_ATRPNJ = IOLD2NEW( INDEX_ATRPNJ , 1 )\n INDEX_AHOMJ = IOLD2NEW( INDEX_AHOMJ , 1 )\n INDEX_AHONITJ = IOLD2NEW( INDEX_AHONITJ , 1 )\n INDEX_STY = IOLD2NEW( INDEX_STY , 1 )\n INDEX_STYP = IOLD2NEW( INDEX_STYP , 1 )\n END SUBROUTINE RESET_SPECIES_POINTERS\n END MODULE RXNS_FUNCTION\n" }, { "path": "CCTM/src/MECHS/cracmm2/SpecDef_Conc_cracmm2.txt", "content": "!#start YYYYJJJ 010000\n!#end YYYYJJJ 000000\n#layer 1\n\n/\n! This Species Definition File is for Use with the COMBINE tool built for \n! post-processing CMAQ output. It is compatible with CMAQv5.2.\n! Date: May 12 2017\n\n! Output variables that begin with 'PM' represent those in which a size cut was \n! applied based on modeled aerosol mode parameters. For example, PM25_NA is all \n! sodium that falls below 2.5 um diameter. These 'PM' variables are used for \n! comparisons at IMPROVE and CSN sites.\n\n! Output variables that begin with 'PMAMS' represent the mass that would have\n! been detected by an Aerosol Mass Spectrometer.\n\n! Output variables beginning with 'A' (aside from AIR_DENS) represent a \n! combination of aerosol species in which no size cut was applied. For example, \n! ASO4IJ is the sum of i-mode and j-mode sulfate. These 'A' variables are used \n! for comparisons at CASTNet sites.\n\n! Output variables beginning with 'PMC' refer to the coarse fraction of total PM,\n! computed by summing all modes and subtracting the PM2.5 fraction. These 'PMC'\n! variables are used for comparisons at SEARCH sites.\n\n! This Species Definition File is just for use with the uncoupled, offline CMAQ,\n! model. If you are processing WRF-CMAQ results, a different Species Definition\n! file is required.\n\n/ File [1]: CMAQ conc/aconc file\n/ File [2]: METCRO3D file\n/ File [3]: ELMO/AELMO file\n/ File [4]: METCRO2D file\n/\n/new species ,units ,expression\n \n!-------------------------------------------!\n!------------- Meteorology -----------------!\n!-------------------------------------------!\nAIR_DENS ,kg m-3 ,DENS[2]\nRH ,% ,100.00*RH[3]\nSFC_TMP ,C ,(TEMP2[4]-273.15)\nPBLH ,m ,PBL[4]\nSOL_RAD ,W m-2 ,RGRND[4]\nprecip ,cm ,RC[4]>=0 ? RN[4]+RC[4] : RN[4]\nWSPD10 ,m s-1 ,WSPD10[4]\nWDIR10 ,deg ,WDIR10[4]\n\n!-------------------------------------------!\n!--------------- Gases ---------------------!\n!-------------------------------------------!\nCO ,ppbV ,1000.0*CO[1]\nH2O2 ,ppbV ,1000.0*H2O2[1]\nHNO3 ,ppbV ,1000.0*HNO3[1]\nHNO3_UGM3 ,ug m-3 ,1000.0*(HNO3[1]*2.1756*DENS[2]) \nHONO ,ppbV ,1000.0*HONO[1]\nHOX ,ppbV ,1000.0*(HO[1]+HO2[1])\nOH ,ppbV ,1000.0*HO[1]\nN2O5 ,ppbV ,1000.0*N2O5[1]\nNH3 ,ppbV ,1000.0*NH3[1]\nNH3_UGM3 ,ug m-3 ,1000.0*(NH3[1]*0.5880*DENS[2])\nNHX ,ug m-3 ,1000.0*(NH3[1]*0.5880*DENS[2])+ANH4I[1]+ANH4J[1]+ANH4K[1]\nNO ,ppbV ,1000.0*NO[1]\nNO2 ,ppbV ,1000.0*NO2[1]\nNOX ,ppbV ,1000.0*(NO[1] + NO2[1])\nANO3_PPB ,ppbV ,(ANO3I[1]+ANO3J[1]+ANO3K[1])/(DENS[2]*(62.0/28.97))\nNTR ,ppbV ,1000.0*(ONIT[1]+ISON[1]+INALD[1]+TRPN[1]+HONIT[1]), organic nitrates\nPANS ,ppbV ,1000.0*(PAN[1]+PPN[1]+MPAN[1])\nNOY ,ppbV ,1000.0*(NO[1]+NO2[1]+NO3[1]+2*N2O5[1]+HONO[1] \\\n +HNO3[1]+HNO4[1]+PAN[1]+PPN[1]+MPAN[1] \\\n +ISON[1]+INALD[1]+IPX[1]+TRPN[1]+ONIT[1]) \\\n +HONIT[1]+ANO3_PPB[0]\nO3 ,ppbV ,1000.0*O3[1]\nSO2 ,ppbV ,1000.0*SO2[1]\nSO2_UGM3 ,ug m-3 ,1000.0*(SO2[1]*2.2118*DENS[2])\nTERP ,ppbV ,1000.0*(API[1]+LIM[1]), a-pinene and limonene monoterpenes in CRACMM2\n\n! Deprecate these names in future\nETH ,ppbV ,1000.0*ETE[1], ethene is ETE in CRACMM\nETHA ,ppbV ,1000.0*ETH[1], ethane is ETH in CRACMM\nALD2 ,ppbV ,1000.0*ACD[1], acetaldehyde is ACD in CRACMM\nFORM ,ppbV ,1000.0*HCHO[1], formaldehyde is HCHO in CRACMM\nISOP ,ppbV ,1000.0*ISO[1], isoprene is ISO in CRACMM\nTOL ,ppbV ,1000.0*TOL[1]\n\n! Hydrocarbons for evaluation. Note an \"s\" on the end indicates a collection of species from AQS\nACETALDEHYDE ,ppbV ,1000.0*ACD[1]\nACETYLENE ,ppbV ,1000.0*ACE[1]\nACROLEIN ,ppbV ,1000.0*ACRO[1]\nACETONE ,ppbV ,1000.0*ACT[1]\nBUTADIENE13 ,ppbV ,1000.0*BDE13[1]\nBENZENE ,ppbV ,1000.0*BEN[1]\nETHYLENE ,ppbV ,1000.0*ETE[1], ethene is ETE in CRACMM\nETHANE ,ppbV ,1000.0*ETH[1], ethane is ETH in CRACMM\nISOPRENE ,ppbV ,1000.0*ISO[1], isoprene is ISO in CRACMM\nFORMALDEHYDE ,ppbV ,1000.0*HCHO[1], formaldehyde is HCHO in CRACMM\nMEKETONE ,ppbV ,1000.0*MEK[1]\nTOLUENE ,ppbV ,1000.0*TOL[1]\nXYLENES ,ppbV ,1000.0*(XYL[1]+EBZ[1]+STY[1])\nETHB ,ppbV ,1000.0*EBZ[1]\nSTYRENE ,ppbV ,1000.0*STY[1]\nHCPROPANES ,ppbV ,1000.0*(HC3[1])\nHCPENTANES ,ppbV ,1000.0*(HC5[1])\nHCDECANES ,ppbV ,1000.0*(HC10[1]), formerly HC8\nOLEFINS ,ppbV ,1000.0*(OLI[1]+OLT[1])\nABPINENES ,ppbV ,1000.0*(API[1])\n\n!! Unused Gases. Presented Here for illustration. Users can uncomment\n!! them if they choose.\nALDX ,ppbV ,1000.0*ALD[1], C3 and higher aldehydes is ALD in CRACMM\n!NOZ ,ppbV ,NOY[0]-NOX[0]\n!SULF ,ppbV ,1000.0*SULF[1]\n! SIGROC: L/S/IVOC alk and oxy gas species\nLSIVROC ,ppbC ,1000.0* (9.5*VROCIOXY[1] \\\n +14.0*VROCP5ARO[1]+13.0*VROCP6ARO[1] \\\n +30.0*VROCN2ALK[1]+29.0*VROCN1ALK[1] \\\n +28.0*VROCP0ALK[1]+27.0*VROCP1ALK[1] \\\n +24.0*VROCP2ALK[1]+21.0*VROCP3ALK[1] \\\n +18.0*VROCP4ALK[1]+14.0*VROCP5ALK[1] \\\n +13.0*VROCP6ALK[1]\\\n +17.0*VROCN2OXY2[1]+11.0*VROCN2OXY4[1] \\ \n +7.0*VROCN2OXY8[1]+20.0*VROCN1OXY1[1] \\ \n +12.0*VROCN1OXY3[1]+8.0*VROCN1OXY6[1] \\ \n +14.0*VROCP0OXY2[1]+10.0*VROCP0OXY4[1] \\ \n +17.0*VROCP1OXY1[1]+11.0*VROCP1OXY3[1] \\ \n +12.0*VROCP2OXY2[1]+11.0*VROCP3OXY2[1] \\ \n +9.0*VROCP4OXY2[1]+11.0*VROCP5OXY1[1] \\ \n +9.0*VROCP6OXY1[1] ), \n! VROC: Total gas-phase (vapor) reactive organic carbon (stable species only) \nVROC ,ppbC ,1000.0*(2.0*ACD[1]+2.0*ACE[1] \\\n +3.0*ACRO[1]+3.0*ACT[1]+3.0*ALD[1]+10*API[1] \\\n +7.0*BALD[1]+4.0*BDE13[1]+6.0*BEN[1] \\\n +9.0*CSL[1]+5.0*DCB1[1]+6.0*DCB2[1]+4.0*DCB3[1] \\\n +20.0*ELHOM[1] \\\n +2.0*EOH[1]+2.0*ETE[1]+2.0*ETEG[1]+2.0*ETH[1] \\\n +5.0*FURAN[1]+4.0*FURANONE[1]+2.0*GLY[1]+10.0*HOM[1] \\\n +3.0*HC3[1]+5.0*HC5[1]+10.0*HC10[1] \\\n +1.0*HCHO[1]+3.0*HKET[1] \\\n +5.0*IEPOX[1]+5.0*ISHP[1]\\\n +5.0*ISO[1]+5.0*KET[1] \\\n +10.0*LIM[1]+10.0*LIMAL[1]+4.0*MACR[1]+4*MAHP[1] \\\n +7.0*MCT[1] \\\n +4.0*MEK[1]+3.0*MGLY[1]+1.0*MOH[1]+4.0*MVK[1] \\\n +10.0*NAPH[1]+5.0*OLI[1]+3.0*OLT[1] \\\n +1.0*OP1[1]+2.0*OP2[1]+8.0*OP3[1]+10.0*OPB[1] \\\n +1.0*ORA1[1]+2.0*ORA2[1] \\\n +10.0*PINAL[1] \\\n +6.0*PHEN[1]+3.0*PROG[1] \\\n +3.0*ROH[1]+15.0*SESQ[1]+2.1*SLOWROC[1] \\\n +7.0*TOL[1]+5.0*UALD[1] \\\n +8.0*XYL[1]+8.0*EBZ[1]+8.0*STY[1] \\\n +2.0*PAA[1]+2.0*PAN[1]+3.0*PPN[1]+4.0*MPAN[1] \\ \n +4.0*ONIT[1]+5.0*ISON[1] \\\n +5.0*INALD[1]+5.0*IPX[1]+10.0*TRPN[1]+10.0*HONIT[1] ) \\ \n +LSIVROC[0] ,\n\n!-------------------------------------------!\n!--------------- Particles -----------------!\n!-------------------------------------------!\n!! Crustal Elements\nAFEJ ,ug m-3 ,AFEJ[1]\nAALJ ,ug m-3 ,AALJ[1]\nASIJ ,ug m-3 ,ASIJ[1]\nATIJ ,ug m-3 ,ATIJ[1]\nACAJ ,ug m-3 ,ACAJ[1]\nAMGJ ,ug m-3 ,AMGJ[1]\nAKJ ,ug m-3 ,AKJ[1]\nAMNJ ,ug m-3 ,AMNJ[1]\nASOILJ ,ug m-3 ,2.20*AALJ[1]+2.49*ASIJ[1]+1.63*ACAJ[1]+2.42*AFEJ[1]+1.94*ATIJ[1]\n\n!! Non-Crustal Inorganic Particle Species\nAHPLUSIJ ,umol m-3 ,(AH3OPI[1]+AH3OPJ[1])*1.0/19.0\nANAK ,ug m-3 ,0.8373*ASEACAT[1]+0.0626*ASOIL[1]+0.0023*ACORS[1]\nAMGK ,ug m-3 ,0.0997*ASEACAT[1]+0.0170*ASOIL[1]+0.0032*ACORS[1]\nAKK ,ug m-3 ,0.0310*ASEACAT[1]+0.0242*ASOIL[1]+0.0176*ACORS[1]\nACAK ,ug m-3 ,0.0320*ASEACAT[1]+0.0838*ASOIL[1]+0.0562*ACORS[1]\nACLIJ ,ug m-3 ,ACLI[1]+ACLJ[1]\nAECIJ ,ug m-3 ,AECI[1]+AECJ[1]\nANAIJ ,ug m-3 ,ANAJ[1]+ANAI[1]\nANO3IJ ,ug m-3 ,ANO3I[1]+ANO3J[1]\nANO3K ,ug m-3 ,ANO3K[1]\nTNO3 ,ug m-3 ,2175.6*(HNO3[1]*DENS[2])+ANO3I[1]+ANO3J[1]+ANO3K[1]\nANH4IJ ,ug m-3 ,ANH4I[1]+ANH4J[1]\nANH4K ,ug m-3 ,ANH4K[1]\nASO4IJ ,ug m-3 ,ASO4I[1]+ASO4J[1]\nASO4K ,ug m-3 ,ASO4K[1]\n\n!! Organic Particle Species\n! Why is there an APOCI and APOCJ in the output? It doesn't match below \nAPOCI ,ugC m-3, AROCN2ALKI[1]/1.39 + AROCN1ALKI[1]/1.32 \\\n + AROCP0ALKI[1]/1.17 + AROCP1ALKI[1]/1.17\nAPOCJ ,ugC m-3, AROCN2ALKJ[1]/1.39 + AROCN1ALKJ[1]/1.32 \\\n + AROCP0ALKJ[1]/1.17 + AROCP1ALKJ[1]/1.17 \\\n + AROCP2ALKJ[1]/1.17 + AROCP3ALKJ[1]/1.17\nAPOCIJ ,ugC m-3, APOCI[0] + APOCJ[0]\n\nAPOMI ,ug m-3, AROCN2ALKI[1] + AROCN1ALKI[1] \\\n + AROCP0ALKI[1] + AROCP1ALKI[1] + APNCOMI[1]\nAPOMJ ,ug m-3, AROCN2ALKJ[1] + AROCN1ALKJ[1] + AROCP0ALKJ[1] \\\n + AROCP1ALKJ[1] + AROCP2ALKJ[1] + AROCP3ALKJ[1] + APNCOMJ[1]\nAPOMIJ ,ug m-3, APOMI[0] + APOMJ[0]\nASOCI ,ugC m-3, AROCN2OXY2I[1]/1.42 + AROCN2OXY4I[1]/1.67 \\\n + AROCN2OXY8I[1]/2.17 + AROCN1OXY1I[1]/1.29 \\\n + AROCN1OXY3I[1]/1.54 + AROCN1OXY6I[1]/1.92 \\\n + AROCP0OXY2I[1]/1.42 + AROCP0OXY4I[1]/1.67 \\\n + AROCP1OXY1I[1]/1.29 + AROCP1OXY3I[1]/1.54\nASOCJ ,ugC m-3, AHOMJ[1]/2.08 + AELHOMJ[1]/1.67 + AISO3NOSJ[1]/2.27 \\\n + AISO3OSJ[1]/3.6 + AGLYJ[1]/2.13 + AORGCJ[1]/2 \\\n + AOP3J[1]/1.92 + ASOATJ[1]/2.31 + AROCN2OXY2J[1]/1.42 \\\n + AROCN2OXY4J[1]/1.67 + AROCN2OXY8J[1]/2.17 + AROCN1OXY1J[1]/1.29 \\\n + AROCN1OXY3J[1]/1.54 + AROCN1OXY6J[1]/1.92 + AROCP0OXY2J[1]/1.42 \\\n + AROCP0OXY4J[1]/1.67 + AROCP1OXY1J[1]/1.29 + AROCP1OXY3J[1]/1.54 \\\n + AROCP2OXY2J[1]/1.42 + AROCP3OXY2J[1]/1.42 \nASOCIJ ,ugC m-3, ASOCI[0] + ASOCJ[0]\n\nASOMI ,ug m-3, AROCN2OXY2I[1] + AROCN2OXY4I[1] \\\n + AROCN2OXY8I[1] + AROCN1OXY1I[1] \\\n + AROCN1OXY3I[1] + AROCN1OXY6I[1] \\\n + AROCP0OXY2I[1] + AROCP0OXY4I[1] \\\n + AROCP1OXY1I[1] + AROCP1OXY3I[1]\nASOMJ ,ug m-3, AHOMJ[1] + AELHOMJ[1] + AISO3NOSJ[1] \\\n + AISO3OSJ[1] + AGLYJ[1] + AORGCJ[1] \\\n + AOP3J[1] + ASOATJ[1] + AROCN2OXY2J[1] \\\n + AROCN2OXY4J[1] + AROCN2OXY8J[1] + AROCN1OXY1J[1] \\\n + AROCN1OXY3J[1] + AROCN1OXY6J[1] + AROCP0OXY2J[1] \\\n + AROCP0OXY4J[1] + AROCP1OXY1J[1] + AROCP1OXY3J[1] \\\n + AROCP2OXY2J[1] + AROCP3OXY2J[1]\n\nASOMIJ ,ug m-3 ,ASOMI[0] + ASOMJ[0]\n \nAOCI ,ugC m-3 ,APOCI[0] + ASOCI[0]\nAOCJ ,ugC m-3 ,APOCJ[0] + ASOCJ[0]\n\nAOCIJ ,ugC m-3 ,APOCIJ[0] + ASOCIJ[0]\n\n\nAOMI ,ug m-3 ,APOMI[0] + ASOMI[0]\nAOMJ ,ug m-3 ,APOMJ[0] + ASOMJ[0]\n\nAOMIJ ,ug m-3 ,APOMIJ[0] + ASOMIJ[0]\n\n!!! Anthropogenic-VOC Derived Organic Aerosol\nAORGAI ,ug m-3 ,AROCN2OXY2I[1]+AROCN2OXY4I[1]+AROCN2OXY8I[1]+AROCN1OXY1I[1] \\\n +AROCN1OXY3I[1]+AROCN1OXY6I[1]+AROCP0OXY2I[1]+AROCP0OXY4I[1] \\\n +AROCP1OXY1I[1]+AROCP1OXY3I[1]\n \nAORGAJ ,ug m-3 ,AROCN2OXY2J[1]+AROCN2OXY4J[1]+AROCN2OXY8J[1]+AROCN1OXY1J[1] \\\n +AROCN1OXY3J[1]+AROCN1OXY6J[1]+AROCP0OXY2J[1]+AROCP0OXY4J[1] \\\n +AROCP1OXY1J[1]+AROCP1OXY3J[1]+AROCP2OXY2J[1]+AROCP3OXY2J[1] \\\n +AOP3J[1] +ASOATJ[1]\nAORGAIJ ,ug m-3 ,AORGAI[0] + AORGAJ[0]\n\n!!! Biogenic-VOC Derived Organic Aerosol\nAORGBIJ ,ug m-3 ,AISO3NOSJ[1] +AISO3OSJ[1] +AHOMJ[1] + AELHOMJ[1]\n\n!!! Cloud-Processed SOA\nAORGCJ ,ug m-3 ,AORGCJ[1]\n!!! Remaining SOA\nAGLYJ ,ug m-3 ,AGLYJ[1]\n\n!!! OM/OC ratios\nAOMOCRAT_TOT , ,AOMIJ[0]/AOCIJ[0]\n\n!! Total PM Aggregates\nATOTI ,ug m-3 ,ASO4I[1] + ANH4I[1] + ANO3I[1] + ANAI[1] \\\n +ACLI[1] + AECI[1] + AOMI[0] + AOTHRI[1] \nATOTJ ,ug m-3 ,ASO4J[1] + ANH4J[1] + ANO3J[1] + ANAJ[1] \\\n +ACLJ[1] + AECJ[1] + AOMJ[0] + AOTHRJ[1] \\\n +AFEJ[1] + AALJ[1] + ASIJ[1] + ATIJ[1] \\\n +ACAJ[1] + AMGJ[1] + AKJ[1] + AMNJ[1] \n \nATOTK ,ug m-3 ,ASO4K[1] + ANH4K[1] + ANO3K[1] + ACLK[1] \\\n +ACORS[1] + ASOIL[1] + ASEACAT[1] \nATOTIJ ,ug m-3 ,ATOTI[0] + ATOTJ[0] \nATOTIJK ,ug m-3 ,ATOTI[0] + ATOTJ[0] + ATOTK[0]\n\n!! Unspeciated PM including non-carbon organic mass\nAUNSPEC1IJ ,ug m-3 ,ATOTIJ[0] - (ASO4IJ[0] + ANO3IJ[0] \\\n +ANH4IJ[0] + ACLIJ[0] \\\n +ANAIJ[0] + AECIJ[0] \\\n +AOCIJ[0] + ASOILJ[0]) \n!! Non-Carbon Organic Mass\nANCOMIJ ,ug m-3 ,AOMIJ[0] - AOCIJ[0]\n\n!! Unspeciated PM excluding non-carbon organic mass\nAUNSPEC2IJ ,ug m-3 ,AUNSPEC1IJ[0] - ANCOMIJ[0]\n\n!! AMS Projection of Output Concentrations\nPMAMS_CL ,ug m-3 ,ACLI[1] *FAMSAIT[3] +ACLJ[1]*FAMSACC[3]+ACLK[1] *FAMSCOR[3]\nPMAMS_NH4 ,ug m-3 ,ANH4I[1]*FAMSAIT[3]+ANH4J[1]*FAMSACC[3]+ANH4K[1]*FAMSCOR[3]\nPMAMS_NO3 ,ug m-3 ,ANO3I[1]*FAMSAIT[3]+ANO3J[1]*FAMSACC[3]+ANO3K[1]*FAMSCOR[3]\nPMAMS_OA ,ug m-3 ,AOMI[0] *FAMSAIT[3]+AOMJ[0] *FAMSACC[3]\nPMAMS_SO4 ,ug m-3 ,ASO4I[1]*FAMSAIT[3]+ASO4J[1]*FAMSACC[3]+ASO4K[1]*FAMSCOR[3]\n\n!! PM1 Cutoff Output\nPM1_TOT ,ug m-3 ,ATOTI[0]*FPM1AIT[3]+ATOTJ[0]*FPM1ACC[3]+ATOTK[0]*FPM1COR[3]\n\n!! Unused PM1 Species. Included Here for demonstration\n!PM1_EC ,ug m-3 ,AECI[1] *FPM1AIT[3] +AECJ[1] *FPM1ACC[3]\n!PM1_OC ,ugC m-3 ,AOCI[0] *FPM1AIT[3] +AOCJ[0] *FPM1ACC[3]\n!PM1_OM ,ug m-3 ,AOMI[0] *FPM1AIT[3] +AOMJ[0] *FPM1ACC[3]\n!PM1_SO4 ,ug m-3 ,ASO4I[1]*FPM1AIT[3] +ASO4J[1]*FPM1ACC[3] +ASO4K[1]*FPM1COR[3]\n!PM1_CL ,ug m-3 ,ACLI[1] *FPM1AIT[3] +ACLJ[1] *FPM1ACC[3] +ACLK[1] *FPM1COR[3]\n!PM1_NA ,ug m-3 ,ANAI[1] *FPM1AIT[3] +ANAJ[1] *FPM1ACC[3] +ANAK[0] *FPM1COR[3]\n!PM1_MG ,ug m-3 , AMGJ[1] *FPM1ACC[3] +AMGK[0] *FPM1COR[3]\n!PM1_K ,ug m-3 , AKJ[1] *FPM1ACC[3] +AKK[0] *FPM1COR[3]\n!PM1_CA ,ug m-3 , ACAJ[1] *FPM1ACC[3] +ACAK[0] *FPM1COR[3]\n!PM1_NH4 ,ug m-3 ,ANH4I[1] *FPM1AIT[3]+ANH4J[1]*FPM1ACC[3] +ANH4K[1]*FPM1COR[3]\n!PM1_NO3 ,ug m-3 ,ANO3I[1] *FPM1AIT[3]+ANO3J[1]*FPM1ACC[3] +ANO3K[1]*FPM1COR[3] \n!PM1_SOIL ,ug m-3 ,ASOILJ[0]*FPM1ACC[3]+(ASOIL[1]+ACORS[1])*FPM1COR[3]\n!PM1_UNSPEC1 ,ug m-3 ,PM1_TOT[0] - (PM1_CL[0] + PM1_EC[0]+ PM1_NA[0] + PM1_NH4[0] + \\\n! PM1_NO3[0]+ PM1_OC[0]+ PM1_SOIL[0]+ PM1_SO4[0] ) \n!PM1_UNSPCRS ,ug m-3 ,ATOTK[0] *FPM1COR[3] - (ASO4K[1]*FPM1COR[3] \\\n! +ACLK[1]*FPM1COR[3] \\\n! +ANAK[0]*FPM1COR[3] \\\n! +AMGK[0]*FPM1COR[3] \\\n! +AKK[0]*FPM1COR[3] \\\n! +ACAK[0]*FPM1COR[3] \\\n! +ANH4K[1]*FPM1COR[3] \\\n! +ANO3K[1]*FPM1COR[3]) \n \n!! PM2.5 species computed using modeled size distribution\nPM25_HP ,ug m-3 ,(AH3OPI[1]*FPM25AIT[3]+AH3OPJ[1]*FPM25ACC[3]+AH3OPK[1]*FPM25COR[3])*1.0/19.0\nPM25_CL ,ug m-3 ,ACLI[1]*FPM25AIT[3]+ACLJ[1]*FPM25ACC[3]+ACLK[1]*FPM25COR[3]\nPM25_EC ,ug m-3 ,AECI[1]*FPM25AIT[3]+AECJ[1]*FPM25ACC[3]\nPM25_NA ,ug m-3 ,ANAI[1]*FPM25AIT[3]+ANAJ[1]*FPM25ACC[3]+ANAK[0]*FPM25COR[3]\nPM25_MG ,ug m-3 , AMGJ[1]*FPM25ACC[3]+AMGK[0]*FPM25COR[3]\nPM25_K ,ug m-3 , AKJ[1] *FPM25ACC[3]+AKK[0] *FPM25COR[3]\nPM25_CA ,ug m-3 , ACAJ[1]*FPM25ACC[3]+ACAK[0]*FPM25COR[3]\nPM25_NH4 ,ug m-3 ,ANH4I[1]*FPM25AIT[3]+ANH4J[1]*FPM25ACC[3]+ANH4K[1]*FPM25COR[3]\nPM25_NO3 ,ug m-3 ,ANO3I[1]*FPM25AIT[3]+ANO3J[1]*FPM25ACC[3]+ANO3K[1]*FPM25COR[3]\nPM25_OC ,ugC m-3 ,AOCI[0] *FPM25AIT[3]+AOCJ[0]*FPM25ACC[3]\nPM25_OM ,ug m-3 ,AOMI[0] *FPM25AIT[3]+AOMJ[0]*FPM25ACC[3]\nPM25_SOIL ,ug m-3 ,ASOILJ[0]*FPM25ACC[3]+ASOIL[1]*FPM25COR[3]\nPM25_SO4 ,ug m-3 ,ASO4I[1]*FPM25AIT[3]+ASO4J[1]*FPM25ACC[3]+ASO4K[1]*FPM25COR[3]\nPM25_TOT ,ug m-3 ,ATOTI[0]*FPM25AIT[3]+ATOTJ[0]*FPM25ACC[3]+ATOTK[0]*FPM25COR[3]\nPM25_UNSPEC1 ,ug m-3 ,PM25_TOT[0]-(PM25_CL[0]+PM25_EC[0]+PM25_NA[0]+PM25_NH4[0] \\\n +PM25_NO3[0]+PM25_OC[0]+PM25_SOIL[0]+PM25_SO4[0])\nPM25_UNSPCRS ,ug m-3 ,ATOTK[0]*FPM25COR[3] - (ASO4K[1]*FPM25COR[3] \\\n +ACLK[1]*FPM25COR[3] \\\n +ANAK[0]*FPM25COR[3] \\\n +AMGK[0]*FPM25COR[3] \\\n +AKK[0]*FPM25COR[3] \\\n +ACAK[0]*FPM25COR[3] \\\n +ANH4K[1]*FPM25COR[3] \\\n +ANO3K[1]*FPM25COR[3]) \n\n\n!! Fine particle acidity (pH). pH is undefined if there is no aerosol water. \n!Do not trust predictions when hourly water is <0.01 ug m-3. FINEPHF will \n!have large negative value (-9.999E36) when pH is not to be trusted.\n!AH2OIJ ,ug m-3 ,AH2OI[1]+AH2OJ[1]\n!HPMOLAL ,mol kg-1 ,AHPLUSIJ[0]/AH2OIJ[0]*1000.0\n!ACIDITYTEMP , ,-1*LOG10(HPMOLAL[0])\n!FINEPHF , ,AH2OIJ[0]>0.01 ? ACIDITYTEMP[0] : -9.999E36\n\n!! PM10.0 and Coarse-Sized Species\nPM10 ,ug m-3 ,ATOTI[0]*FPM10AIT[3]+ATOTJ[0]*FPM10ACC[3]+ATOTK[0]*FPM10COR[3]\n\nPMC_CL ,ug m-3 ,ACLI[1]*FPM10AIT[3] +ACLJ[1]*FPM10ACC[3] +ACLK[1]*FPM10COR[3] -PM25_CL[0]\nPMC_NA ,ug m-3 ,ANAI[1]*FPM10AIT[3] +ANAJ[1]*FPM10ACC[3] +ANAK[0]*FPM10COR[3] -PM25_NA[0]\nPMC_NH4 ,ug m-3 ,ANH4I[1]*FPM10AIT[3]+ANH4J[1]*FPM10ACC[3]+ANH4K[1]*FPM10COR[3]-PM25_NH4[0]\nPMC_NO3 ,ug m-3 ,ANO3I[1]*FPM10AIT[3]+ANO3J[1]*FPM10ACC[3]+ANO3K[1]*FPM10COR[3]-PM25_NO3[0]\nPMC_SO4 ,ug m-3 ,ASO4I[1]*FPM10AIT[3]+ASO4J[1]*FPM10ACC[3]+ASO4K[1]*FPM10COR[3]-PM25_SO4[0]\nPMC_TOT ,ug m-3 ,PM10[0]-PM25_TOT[0]\n\n!! FRM PM Equivalent Calculation\n!! This section calculates the FRM applicable PM species, PMIJ_FRM and\n!! PM25_FRM. The intermediate variablse K...ANH4IJ_loss are needed to \n!! calculate the final quantities.\nK ,ppb2 ,exp(118.87-24084/TEMP2[4]-6.025*log(TEMP2[4]))\nP1 , ,exp(8763/TEMP2[4]+19.12*log(TEMP2[4])-135.94)\nP2 , ,exp(9969/TEMP2[4]+16.22*log(TEMP2[4])-122.65)\nP3 , ,exp(13875/TEMP2[4]+24.46*log(TEMP2[4])-182.61)\na , ,1-RH[0]/100\nK_prime ,ppb2 ,(P1[0]-P2[0]*a[0]+(P3[0]*a[0]*a[0]))*(a[0]^1.75)*K[0]\nsqrt_Ki ,ppb ,sqrt(RH[0]<=61 ? K[0] : K_prime[0])\nmax_NO3_loss ,ug m-3 ,745.7/TEMP2[4]*sqrt_Ki[0]\nPM25_NO3_loss ,ug m-3 ,max_NO3_loss[0]<=PM25_NO3[0] ? max_NO3_loss[0] : PM25_NO3[0]\nANO3IJ_loss ,ug m-3 ,max_NO3_loss[0]<=ANO3IJ[0] ? max_NO3_loss[0] : ANO3IJ[0]\nPM25_NH4_loss ,ug m-3 ,PM25_NO3_loss[0]*(18/62)\nANH4IJ_loss ,ug m-3 ,ANO3IJ_loss[0]*(18/62)\nPMIJ_FRM ,ug m-3 ,ATOTIJ[0]-(ANO3IJ_loss[0]+ANH4IJ_loss[0]) \\\n +0.24*(ASO4IJ[0]+ANH4IJ[0]-ANH4IJ_loss[0])+0.5\nPM25_FRM ,ug m-3 ,PM25_TOT[0]-(PM25_NO3_loss[0]+PM25_NH4_loss[0]) \\\n +0.24*(PM25_SO4[0]+PM25_NH4[0]-PM25_NH4_loss[0])+0.5\n" }, { "path": "CCTM/src/MECHS/cracmm2/SpecDef_Dep_cracmm2.txt", "content": "!#start YYYYJJJ\n!#end YYYYJJJ\n#layer 1\n\n/ File [1]: DRYDEP\n/ File [2]: WETDEP\n/ File [3]: METCRO2D\n/\n/new species ,units ,expression\n\nRT ,cm ,RC[3]>=0 ? RN[3]+RC[3] : RN[3]\n\n!---------------------------------------------------!\n!--------------- Gas Deposition --------------------!\n!---------------------------------------------------!\nDDEP_NO2 ,kg ha-1 ,NO2[1]\nWDEP_NO2 ,kg ha-1 ,NO2[2]\nDDEP_NO ,kg ha-1 ,NO[1]\nWDEP_NO ,kg ha-1 ,NO[2]\nDDEP_FORM ,kg ha-1 ,HCHO[1], formaldehyde is HCHO in CRACMM\nWDEP_FORM ,kg ha-1 ,HCHO[2], formaldehyde is HCHO in CRACMM\nDDEP_H2O2 ,kg ha-1 ,H2O2[1]\nWDEP_H2O2 ,kg ha-1 ,H2O2[2]\nDDEP_N2O5 ,kg ha-1 ,N2O5[1]\nWDEP_N2O5 ,kg ha-1 ,N2O5[2]\nDDEP_HONO ,kg ha-1 ,HONO[1]\nWDEP_HONO ,kg ha-1 ,HONO[2]\nDDEP_HNO3 ,kg ha-1 ,HNO3[1]\nWDEP_HNO3 ,kg ha-1 ,HNO3[2]\nDDEP_NTR ,kg ha-1 ,ONIT[1]+ISON[1]+TRPN[1]+INALD[1]+HONIT[1]\nWDEP_NTR ,kg ha-1 ,ONIT[2]+ISON[2]+TRPN[2]+INALD[2]+HONIT[2]\nDDEP_PANT ,kg ha-1 ,PAN[1]+PPN[1]+MPAN[1]\nWDEP_PANT ,kg ha-1 ,PAN[2]+PPN[2]+MPAN[2]\nDDEP_NH3 ,kg ha-1 ,NH3[1]\nWDEP_NH3 ,kg ha-1 ,NH3[2]\nDDEP_SO2 ,kg ha-1 ,SO2[1]\nDDEP_O3 ,kg ha-1 ,O3[1]\nWDEP_O3 ,kg ha-1 ,O3[2]\nDDEP_PNA ,kg ha-1 ,HNO4[1], PeroxyNitric Acid\nWDEP_PNA ,kg ha-1 ,HNO4[2], PeroxyNitric Acid\n\n!---------------------------------------------------!\n!------------- Aerosol Deposition ------------------!\n!---------------------------------------------------!\nDDEP_ANO3IJ ,kg ha-1 ,ANO3I[1] + ANO3J[1]\nDDEP_ANO3K ,kg ha-1 ,ANO3K[1]\nWDEP_ANO3IJK ,kg ha-1 ,ANO3I[2] + ANO3J[2] + ANO3K[2]\nDDEP_TNO3 ,kg ha-1 ,ANO3I[1] + ANO3J[1] + ANO3K[1] + 0.984*HNO3[1]\nWDEP_TNO3 ,kg ha-1 ,ANO3I[2] + ANO3J[2] + ANO3K[2] + 0.984*HNO3[2]\nDDEP_ANH4IJ ,kg ha-1 ,ANH4I[1] + ANH4J[1]\nDDEP_ANH4K ,kg ha-1 ,ANH4K[1]\nWDEP_ANH4IJK ,kg ha-1 ,ANH4I[2] + ANH4J[2] + ANH4K[2]\nDDEP_ASO4IJ ,kg ha-1 ,ASO4I[1] + ASO4J[1]\nDDEP_ASO4K ,kg ha-1 ,ASO4K[1]\nWDEP_ASO4IJK ,kg ha-1 ,ASO4I[2] + ASO4J[2] + ASO4K[2]\nDDEP_AECIJ\t ,kg ha-1 ,AECI[1] +AECJ[1]\n\n!DDEP_SSSO4J ,kg ha-1 ,0.2514*ANAJ[1]\n!DDEP_SSSO4K ,kg ha-1 ,0.2514*DDEP_ANAK[0]\n!WDEP_SSSO4JK ,kg ha-1 ,0.2514*ANAJ[2] + 0.2514*WDEP_ANAK[0]\n\n\n!-----------------------------------------------------!\n!-------- Total (Gas + Aerosol) Deposition -----------!\n!-----------------------------------------------------!\nDDEP_NHX ,kg ha-1 ,ANH4I[1] + ANH4J[1] + ANH4K[1] + 1.059*NH3[1]\nWDEP_NHX ,kg ha-1 ,ANH4I[2] + ANH4J[2] + ANH4K[2] + 1.059*NH3[2]\nWDEP_TSO4 ,kg ha-1 ,ASO4I[2] + ASO4J[2] + ASO4K[2] + 1.5*SO2[2]\n\n!! Sodium\nDDEP_ANAJ ,kg ha-1 ,ANAJ[1]\nDDEP_ANAK ,kg ha-1 ,0.8373*ASEACAT[1]+0.0626*ASOIL[1]+0.0023*ACORS[1]\nDDEP_ANAJK ,kg ha-1 ,DDEP_ANAJ[0] + DDEP_ANAK[0]\nWDEP_ANAK ,kg ha-1 ,0.8373*ASEACAT[2]+0.0626*ASOIL[2]+0.0023*ACORS[2]\nWDEP_ANAJK ,kg ha-1 ,ANAJ[2] + WDEP_ANAK[0]\nTDEP_ANAJK ,kg ha-1 ,DDEP_ANAJK[0] + WDEP_ANAJK[0]\n\n!! Chloride\nDDEP_ACLJ ,kg ha-1 ,ACLJ[1]\nDDEP_ACLK ,kg ha-1 ,ACLK[1]\nDDEP_ACLJK ,kg ha-1 ,ACLJ[1] + ACLK[1]\nWDEP_TCL ,kg ha-1 ,0.972*HCL[2] + ACLJ[2] + ACLK[2]\nTDEP_CL ,kg ha-1 ,DDEP_ACLJK[0] + WDEP_TCL[0]\n\n!! Calcium\nDDEP_CAJ\t ,kg ha-1 ,ACAJ[1]\nWDEP_CAJ\t ,kg ha-1 ,ACAJ[2]\nDDEP_CAK ,kg ha-1 ,0.0320*ASEACAT[1]+0.0838*ASOIL[1]+0.0562*ACORS[1]\nWDEP_CAK ,kg ha-1 ,0.0320*ASEACAT[2]+0.0838*ASOIL[2]+0.0562*ACORS[2]\nDDEP_CAJK\t ,kg ha-1 ,ACAJ[1]+DDEP_CAK[0]\nWDEP_CAJK\t ,kg ha-1 ,ACAJ[2]+WDEP_CAK[0]\n\n!! Iron\nDDEP_FEJ\t ,kg ha-1 ,AFEJ[1]\nWDEP_FEJ\t ,kg ha-1 ,AFEJ[2]\n\n!! Aluminum\nDDEP_ALJ\t ,kg ha-1 ,AALJ[1]\nWDEP_ALJ ,kg ha-1 ,AALJ[2]\n\n!! Silicon\nDDEP_SIJ ,kg ha-1 ,ASIJ[1]\nWDEP_SIJ ,kg ha-1 ,ASIJ[2]\n\n!! Titanium\nDDEP_TIJ ,kg ha-1 ,ATIJ[1]\nWDEP_TIJ ,kg ha-1 ,ATIJ[2]\n\n!! Magnesium\nDDEP_MGJ ,kg ha-1 ,AMGJ[1]\nWDEP_MGJ ,kg ha-1 ,AMGJ[2]\nDDEP_MGK ,kg ha-1 ,0.0997*ASEACAT[1]+0.0170*ASOIL[1]+0.0032*ACORS[1]\nWDEP_MGK ,kg ha-1 ,0.0997*ASEACAT[2]+0.0170*ASOIL[2]+0.0032*ACORS[2]\nDDEP_MGJK ,kg ha-1 ,AMGJ[1]+DDEP_MGK[0]\nWDEP_MGJK ,kg ha-1 ,AMGJ[2]+WDEP_MGK[0]\n\n!! Potassium\nDDEP_KJ ,kg ha-1 ,AKJ[1]\nWDEP_KJ ,kg ha-1 ,AKJ[2]\nDDEP_KK ,kg ha-1 ,0.0310*ASEACAT[1]+0.0242*ASOIL[1]+0.0176*ACORS[1]\nWDEP_KK ,kg ha-1 ,0.0310*ASEACAT[2]+0.0242*ASOIL[2]+0.0176*ACORS[2]\nDDEP_KJK ,kg ha-1 ,AKJ[1]+DDEP_KK[0]\nWDEP_KJK ,kg ha-1 ,AKJ[2]+WDEP_KK[0]\n\n!! Manganese\nDDEP_MNJ ,kg ha-1 ,AMNJ[1]\nWDEP_MNJ ,kg ha-1 ,AMNJ[2]\n\n\n!---------------------------------------------------!\n!------------- Nitrogen Deposition -----------------!\n!---------------------------------------------------!\nDD_OXN_NOX ,kgN ha-1 ,0.30435*NO2[1] + 0.46667*NO[1]\nWD_OXN_NOX ,kgN ha-1 ,0.30435*NO2[2] + 0.46667*NO[2]\nDD_OXN_TNO3 ,kgN ha-1 ,0.22222*HNO3[1] + 0.22581*ANO3I[1] + 0.22581*ANO3J[1] + 0.22581*ANO3K[1]\nWD_OXN_TNO3 ,kgN ha-1 ,0.22581*WDEP_TNO3[0]\nDD_OXN_PANT ,kgN ha-1 ,0.11570*PAN[1] + 0.11570*PPN[1] + 0.11570*MPAN[1]\nWD_OXN_PANT ,kgN ha-1 ,0.11570*PAN[2] + 0.11570*PPN[2] + 0.11570*MPAN[2]\nDD_OXN_ORGN ,kgN ha-1 ,0.10770*(ONIT[1]+ISON[1]+TRPN[1]+INALD[1]+HONIT[1])\nWD_OXN_ORGN ,kgN ha-1 ,0.10770*(ONIT[2]+ISON[2]+TRPN[2]+INALD[2]+HONIT[2])\nDD_OXN_OTHR ,kgN ha-1 ,0.25926*N2O5[1] + 0.29787*HONO[1]\nWD_OXN_OTHR ,kgN ha-1 ,0.25926*N2O5[2] + 0.29787*HONO[2]+0.177720*HNO4[2]\nDD_OXN_TOT ,kgN ha-1 ,DD_OXN_NOX[0] + DD_OXN_TNO3[0] + DD_OXN_PANT[0] + DD_OXN_ORGN[0] + DD_OXN_OTHR[0]\nWD_OXN_TOT ,kgN ha-1 ,WD_OXN_NOX[0] + WD_OXN_TNO3[0] + WD_OXN_PANT[0] + WD_OXN_ORGN[0] + WD_OXN_OTHR[0]\n\nTD_OXN_TOT ,kgN ha-1 ,DD_OXN_TOT[0] + WD_OXN_TOT[0]\nDD_REDN_TOT ,kgN ha-1 ,0.7777*DDEP_NHX[0]\nWD_REDN_TOT ,kgN ha-1 ,0.7777*WDEP_NHX[0]\nTD_REDN_TOT ,kgN ha-1 ,DD_REDN_TOT[0] + WD_REDN_TOT[0]\n\nDD_N_TOT ,kgN ha-1 ,DD_OXN_TOT[0] + DD_REDN_TOT[0]\nWD_N_TOT ,kgN ha-1 ,WD_OXN_TOT[0] + WD_REDN_TOT[0]\nTD_N_TOT ,kgN ha-1 ,DD_N_TOT[0] + WD_N_TOT[0]\n\n!! Nitrogen Deposition in milliequivalents Nitrogen\n!DD_OXN_TOTMEQ ,meqN m-2 ,7.14*DD_OXN_TOT[0]\n!WD_OXN_TOTMEQ ,meqN m-2 ,7.14*WD_OXN_TOT[0]\n!TD_OXN_TOTMEQ ,meqN m-2 ,DD_OXN_TOTMEQ[0] + WD_OXN_TOTMEQ[0]\n!DD_REDN_TOTMEQ ,meqN m-2 ,7.14*DD_REDN_TOT[0]\n!WD_REDN_TOTMEQ ,meqN m-2 ,7.14*WD_REDN_TOT[0]\n!TD_REDN_TOTMEQ ,meqN m-2 ,DD_REDN_TOTMEQ[0] + WD_REDN_TOTMEQ[0]\n!DD_N_TOTMEQ ,meqN m-2 ,DD_OXN_TOTMEQ[0] + DD_REDN_TOTMEQ[0]\n!WD_N_TOTMEQ ,meqN m-2 ,WD_OXN_TOTMEQ[0] + WD_REDN_TOTMEQ[0]\n!TD_N_TOTMEQ ,meqN m-2 ,DD_N_TOTMEQ[0] + WD_N_TOTMEQ[0]\n\n!-------------------------------------------------!\n!------------- Sulfur Deposition -----------------!\n!-------------------------------------------------!\nDD_S_TOT ,kgS ha-1 ,0.5*SO2[1] + 0.33333*ASO4I[1] + 0.33333*ASO4J[1] + 0.33333*ASO4K[1]\nWD_S_TOT ,kgS ha-1 ,0.33333*WDEP_TSO4[0]\nTD_S_TOT ,kgS ha-1 ,DD_S_TOT[0] + WD_S_TOT[0]\n!DD_S_SeaS ,kgS ha-1 ,0.33333*DDEP_SSSO4J[0] + 0.33333*DDEP_SSSO4K[0]\n!WD_S_SeaS ,kgS ha-1 ,0.33333*WDEP_SSSO4JK[0]\n!TD_S_SeaS ,kgS ha-1 ,DD_S_SeaS[0] + WD_S_SeaS[0]\n\n!! Sulfur Deposition in milliequivalents Sulfur\n!DD_S_TOTMEQ ,meqS m-2 ,6.24*DD_S_TOT[0]\n!WD_S_TOTMEQ ,meqS m-2 ,6.24*WD_S_TOT[0]\n!TD_S_TOTMEQ ,meqS m-2 ,DD_S_TOTMEQ[0] + WD_S_TOTMEQ[0]\n!DD_S_SeaSMEQ ,meqS m-2 ,6.24*DD_S_SeaS[0]\n!WD_S_SeaSMEQ ,meqS m-2 ,6.24*WD_S_SeaS[0]\n!TD_S_SeaSMEQ ,meqS m-2 ,DD_S_SeaSMEQ[0] + WD_S_SeaSMEQ[0]\n" }, { "path": "CCTM/src/MECHS/cracmm2/SpecDef_cracmm2.txt", "content": "!#start YYYYJJJ 010000\n!#end YYYYJJJ 000000\n#layer 1\n\n/\n! This Species Definition File is for Use with the COMBINE tool built for \n! post-processing CMAQ output. It is compatible with CMAQv5.2.\n! Date: May 12 2017\n\n! Output variables that begin with 'PM' represent those in which a size cut was \n! applied based on modeled aerosol mode parameters. For example, PM25_NA is all \n! sodium that falls below 2.5 um diameter. These 'PM' variables are used for \n! comparisons at IMPROVE and CSN sites.\n\n! Output variables that begin with 'PMAMS' represent the mass that would have\n! been detected by an Aerosol Mass Spectrometer.\n\n! Output variables beginning with 'A' (aside from AIR_DENS) represent a \n! combination of aerosol species in which no size cut was applied. For example, \n! ASO4IJ is the sum of i-mode and j-mode sulfate. These 'A' variables are used \n! for comparisons at CASTNet sites.\n\n! Output variables beginning with 'PMC' refer to the coarse fraction of total PM,\n! computed by summing all modes and subtracting the PM2.5 fraction. These 'PMC'\n! variables are used for comparisons at SEARCH sites.\n\n! This Species Definition File is just for use with the uncoupled, offline CMAQ,\n! model. If you are processing WRF-CMAQ results, a different Species Definition\n! file is required.\n\n/ File [1]: CMAQ conc/aconc file\n/ File [2]: METCRO3D file\n/ File [3]: ELMO/AELMO file\n/ File [4]: METCRO2D file\n/\n/new species ,units ,expression\n \n!-------------------------------------------!\n!------------- Meteorology -----------------!\n!-------------------------------------------!\nAIR_DENS ,kg m-3 ,DENS[2]\nRH ,% ,100.00*RH[3]\nSFC_TMP ,C ,(TEMP2[4]-273.15)\nPBLH ,m ,PBL[4]\nSOL_RAD ,W m-2 ,RGRND[4]\nprecip ,cm ,RC[4]>=0 ? RN[4]+RC[4] : RN[4]\nWSPD10 ,m s-1 ,WSPD10[4]\nWDIR10 ,deg ,WDIR10[4]\n\n!-------------------------------------------!\n!--------------- Gases ---------------------!\n!-------------------------------------------!\nCO ,ppbV ,1000.0*CO[1]\nH2O2 ,ppbV ,1000.0*H2O2[1]\nHNO3 ,ppbV ,1000.0*HNO3[1]\nHNO3_UGM3 ,ug m-3 ,1000.0*(HNO3[1]*2.1756*DENS[2]) \nHONO ,ppbV ,1000.0*HONO[1]\nHOX ,ppbV ,1000.0*(HO[1]+HO2[1])\nOH ,ppbV ,1000.0*HO[1]\nN2O5 ,ppbV ,1000.0*N2O5[1]\nNH3 ,ppbV ,1000.0*NH3[1]\nNH3_UGM3 ,ug m-3 ,1000.0*(NH3[1]*0.5880*DENS[2])\nNHX ,ug m-3 ,1000.0*(NH3[1]*0.5880*DENS[2])+ANH4I[1]+ANH4J[1]+ANH4K[1]\nNO ,ppbV ,1000.0*NO[1]\nNO2 ,ppbV ,1000.0*NO2[1]\nNOX ,ppbV ,1000.0*(NO[1] + NO2[1])\nANO3_PPB ,ppbV ,(ANO3I[1]+ANO3J[1]+ANO3K[1])/(DENS[2]*(62.0/28.97))\nNTR ,ppbV ,1000.0*(ONIT[1]+ISON[1]+INALD[1]+TRPN[1]+HONIT[1]), organic nitrates\nPANS ,ppbV ,1000.0*(PAN[1]+PPN[1]+MPAN[1])\nNOY ,ppbV ,1000.0*(NO[1]+NO2[1]+NO3[1]+2*N2O5[1]+HONO[1] \\\n +HNO3[1]+HNO4[1]+PAN[1]+PPN[1]+MPAN[1] \\\n +ISON[1]+INALD[1]+IPX[1]+TRPN[1]+ONIT[1]) \\\n +HONIT[1]+ANO3_PPB[0]\nO3 ,ppbV ,1000.0*O3[1]\nSO2 ,ppbV ,1000.0*SO2[1]\nSO2_UGM3 ,ug m-3 ,1000.0*(SO2[1]*2.2118*DENS[2])\nTERP ,ppbV ,1000.0*(API[1]+LIM[1]), a-pinene and limonene monoterpenes in CRACMM2\n\n! Deprecate these names in future\nETH ,ppbV ,1000.0*ETE[1], ethene is ETE in CRACMM\nETHA ,ppbV ,1000.0*ETH[1], ethane is ETH in CRACMM\nALD2 ,ppbV ,1000.0*ACD[1], acetaldehyde is ACD in CRACMM\nFORM ,ppbV ,1000.0*HCHO[1], formaldehyde is HCHO in CRACMM\nISOP ,ppbV ,1000.0*ISO[1], isoprene is ISO in CRACMM\nTOL ,ppbV ,1000.0*TOL[1]\n\n! Hydrocarbons for evaluation. Note an \"s\" on the end indicates a collection of species from AQS\nACETALDEHYDE ,ppbV ,1000.0*ACD[1]\nACETYLENE ,ppbV ,1000.0*ACE[1]\nACROLEIN ,ppbV ,1000.0*ACRO[1]\nACETONE ,ppbV ,1000.0*ACT[1]\nBUTADIENE13 ,ppbV ,1000.0*BDE13[1]\nBENZENE ,ppbV ,1000.0*BEN[1]\nETHYLENE ,ppbV ,1000.0*ETE[1], ethene is ETE in CRACMM\nETHANE ,ppbV ,1000.0*ETH[1], ethane is ETH in CRACMM\nISOPRENE ,ppbV ,1000.0*ISO[1], isoprene is ISO in CRACMM\nFORMALDEHYDE ,ppbV ,1000.0*HCHO[1], formaldehyde is HCHO in CRACMM\nMEKETONE ,ppbV ,1000.0*MEK[1]\nTOLUENE ,ppbV ,1000.0*TOL[1]\nXYLENES ,ppbV ,1000.0*(XYL[1]+EBZ[1]+STY[1])\nETHB ,ppbV ,1000.0*EBZ[1]\nSTYRENE ,ppbV ,1000.0*STY[1]\nHCPROPANES ,ppbV ,1000.0*(HC3[1])\nHCPENTANES ,ppbV ,1000.0*(HC5[1])\nHCDECANES ,ppbV ,1000.0*(HC10[1]), formerly HC8\nOLEFINS ,ppbV ,1000.0*(OLI[1]+OLT[1])\nABPINENES ,ppbV ,1000.0*(API[1])\n\n!! Unused Gases. Presented Here for illustration. Users can uncomment\n!! them if they choose.\nALDX ,ppbV ,1000.0*ALD[1], C3 and higher aldehydes is ALD in CRACMM\n!NOZ ,ppbV ,NOY[0]-NOX[0]\n!SULF ,ppbV ,1000.0*SULF[1]\n! SIGROC: L/S/IVOC alk and oxy gas species\nLSIVROC ,ppbC ,1000.0* (9.5*VROCIOXY[1] \\\n +14.0*VROCP5ARO[1]+13.0*VROCP6ARO[1] \\\n +30.0*VROCN2ALK[1]+29.0*VROCN1ALK[1] \\\n +28.0*VROCP0ALK[1]+27.0*VROCP1ALK[1] \\\n +24.0*VROCP2ALK[1]+21.0*VROCP3ALK[1] \\\n +18.0*VROCP4ALK[1]+14.0*VROCP5ALK[1] \\\n +13.0*VROCP6ALK[1]\\\n +17.0*VROCN2OXY2[1]+11.0*VROCN2OXY4[1] \\ \n +7.0*VROCN2OXY8[1]+20.0*VROCN1OXY1[1] \\ \n +12.0*VROCN1OXY3[1]+8.0*VROCN1OXY6[1] \\ \n +14.0*VROCP0OXY2[1]+10.0*VROCP0OXY4[1] \\ \n +17.0*VROCP1OXY1[1]+11.0*VROCP1OXY3[1] \\ \n +12.0*VROCP2OXY2[1]+11.0*VROCP3OXY2[1] \\ \n +9.0*VROCP4OXY2[1]+11.0*VROCP5OXY1[1] \\ \n +9.0*VROCP6OXY1[1] ), \n! VROC: Total gas-phase (vapor) reactive organic carbon (stable species only) \nVROC ,ppbC ,1000.0*(2.0*ACD[1]+2.0*ACE[1] \\\n +3.0*ACRO[1]+3.0*ACT[1]+3.0*ALD[1]+10*API[1] \\\n +7.0*BALD[1]+4.0*BDE13[1]+6.0*BEN[1] \\\n +9.0*CSL[1]+5.0*DCB1[1]+6.0*DCB2[1]+4.0*DCB3[1] \\\n +20.0*ELHOM[1] \\\n +2.0*EOH[1]+2.0*ETE[1]+2.0*ETEG[1]+2.0*ETH[1] \\\n +5.0*FURAN[1]+4.0*FURANONE[1]+2.0*GLY[1]+10.0*HOM[1] \\\n +3.0*HC3[1]+5.0*HC5[1]+10.0*HC10[1] \\\n +1.0*HCHO[1]+3.0*HKET[1] \\\n +5.0*IEPOX[1]+5.0*ISHP[1]\\\n +5.0*ISO[1]+5.0*KET[1] \\\n +10.0*LIM[1]+10.0*LIMAL[1]+4.0*MACR[1]+4*MAHP[1] \\\n +7.0*MCT[1] \\\n +4.0*MEK[1]+3.0*MGLY[1]+1.0*MOH[1]+4.0*MVK[1] \\\n +10.0*NAPH[1]+5.0*OLI[1]+3.0*OLT[1] \\\n +1.0*OP1[1]+2.0*OP2[1]+8.0*OP3[1]+10.0*OPB[1] \\\n +1.0*ORA1[1]+2.0*ORA2[1] \\\n +10.0*PINAL[1] \\\n +6.0*PHEN[1]+3.0*PROG[1] \\\n +3.0*ROH[1]+15.0*SESQ[1]+2.1*SLOWROC[1] \\\n +7.0*TOL[1]+5.0*UALD[1] \\\n +8.0*XYL[1]+8.0*EBZ[1]+8.0*STY[1] \\\n +2.0*PAA[1]+2.0*PAN[1]+3.0*PPN[1]+4.0*MPAN[1] \\ \n +4.0*ONIT[1]+5.0*ISON[1] \\\n +5.0*INALD[1]+5.0*IPX[1]+10.0*TRPN[1]+10.0*HONIT[1] ) \\ \n +LSIVROC[0] ,\n\n!-------------------------------------------!\n!--------------- Particles -----------------!\n!-------------------------------------------!\n!! Crustal Elements\nAFEJ ,ug m-3 ,PMF_FE[3]\nAALJ ,ug m-3 ,PMF_AL[3]\nASIJ ,ug m-3 ,PMF_SI[3]\nATIJ ,ug m-3 ,PMF_TI[3]\nACAJ ,ug m-3 ,PMF_CA[3]\nAMGJ ,ug m-3 ,PMF_MG[3]\nAKJ ,ug m-3 ,PMF_K[3]\nAMNJ ,ug m-3 ,PMF_MN[3]\nASOILJ ,ug m-3 ,PMF_SOILIMPV[3]\n\n!! Non-Crustal Inorganic Particle Species\nAHPLUSIJ ,ug m-3 ,PMF_HP[3]\nANAK ,ug m-3 ,PMC_NA[3]\nAMGK ,ug m-3 ,PMC_MG[3]\nAKK ,ug m-3 ,PMC_K[3]\nACAK ,ug m-3 ,PMC_CA[3]\nACLIJ ,ug m-3 ,PMF_CL[3]\nAECIJ ,ug m-3 ,PMF_EC[3]\nANAIJ ,ug m-3 ,PMF_NA[3]\nANO3IJ ,ug m-3 ,PMF_NO3[3]\nANO3K ,ug m-3 ,PMC_NO3[3]\nANH4IJ ,ug m-3 ,PMF_NH4[3]\nANH4K ,ug m-3 ,PMC_NH4[3]\nASO4IJ ,ug m-3 ,PMF_SO4[3]\nASO4K ,ug m-3 ,PMC_SO4[3]\n\n!! Organic Particle Species\nAPOCIJ ,ugC m-3 ,PMF_POC[3]\nAPOMIJ ,ug m-3 ,PMF_POA[3]\nASOCIJ ,ugC m-3 ,PMF_SOC[3]\nASOMIJ ,ug m-3 ,PMF_SOA[3]\nAOCIJ ,ugC m-3 ,PMF_OC[3]\nAOMIJ ,ug m-3 ,PMF_OA[3]\n\n!!! Anthropogenic-VOC Derived Organic Aerosol\nAORGAIJ ,ug m-3 ,PMF_ASOA[3]\n\n!!! Biogenic-VOC Derived Organic Aerosol\nAORGBIJ ,ug m-3 ,PMF_BSOA[3]\n\n!!! Cloud-Processed SOA\nAORGCJ ,ug m-3 ,AORGCJ[1]\n\n!!! OM/OC ratios\nAOMOCRAT_TOT , ,PMF_OMOC[3]\n\n!! Total PM Aggregates\nATOTI ,ug m-3 ,PMAIT_MASS[3]\nATOTJ ,ug m-3 ,PMACC_MASS[3]\nATOTK ,ug m-3 ,PMC_MASS[3]\nATOTIJ ,ug m-3 ,PMF_MASS[3]\nATOTIJK ,ug m-3 ,PM_MASS[3]\n\n!! Unspeciated PM including non-carbon organic mass\nAUNSPEC1IJ ,ug m-3 ,PMF_UN_IMPV1[3] \n!! Non-Carbon Organic Mass\nANCOMIJ ,ug m-3 ,PMF_NCOM[3]\n\n!! Unspeciated PM excluding non-carbon organic mass\nAUNSPEC2IJ ,ug m-3 ,PMF_UN_IMPV2[3]\n\n!! AMS Projection of Output Concentrations\nPMAMS_CL ,ug m-3 ,PMAMS_CL[3]\nPMAMS_NH4 ,ug m-3 ,PMAMS_NH4[3]\nPMAMS_NO3 ,ug m-3 ,PMAMS_NO3[3]\nPMAMS_OA ,ug m-3 ,PMAMS_OA[3]\nPMAMS_SO4 ,ug m-3 ,PMAMS_SO4[3]\n\n!! PM1 Cutoff Output\nPM1_TOT ,ug m-3 ,PM1[3]\n\n!! Unused PM1 Species. Included Here for demonstration\n!PM1_EC ,ug m-3 ,PM1_EC[3]\n!PM1_OC ,ugC m-3 ,PM1_OC[3]\n!PM1_OM ,ug m-3 ,PM1_OA[3]\n!PM1_SO4 ,ug m-3 ,PM1_SO4[3]\n!PM1_CL ,ug m-3 ,PM1_CL[3]\n!PM1_NA ,ug m-3 ,PM1_NA[3]\n!PM1_MG ,ug m-3 ,PM1_MG[3]\n!PM1_K ,ug m-3 ,PM1_K[3]\n!PM1_CA ,ug m-3 ,PM1_CA[3]\n!PM1_NH4 ,ug m-3 ,PM1_NH4[3]\n!PM1_NO3 ,ug m-3 ,PM1_NO3[3]\n!PM1_SOIL ,ug m-3 ,PM1_SOIL[3]\n!PM1_UNSPEC1 ,ug m-3 ,PM1_UNSP1[3]\n!PM1_UNSPCRS ,ug m-3 ,PM1_UNSPCRS[3]\n\n!! PM2.5 species computed using modeled size distribution\nPM25_HP ,ug m-3 ,PM25_HP[3]\nPM25_CL ,ug m-3 ,PM25_CL[3] \nPM25_EC ,ug m-3 ,PM25_EC[3] \nPM25_NA ,ug m-3 ,PM25_NA[3] \nPM25_MG ,ug m-3 ,PM25_MG[3] \nPM25_K ,ug m-3 ,PM25_K[3] \nPM25_CA ,ug m-3 ,PM25_CA[3] \nPM25_NH4 ,ug m-3 ,PM25_NH4[3] \nPM25_NO3 ,ug m-3 ,PM25_NO3[3] \nPM25_OC ,ugC m-3 ,PM25_OC[3] \nPM25_OM ,ug m-3 ,PM25_OA[3] \nPM25_SOIL ,ug m-3 ,PM25_SOIL[3] \nPM25_SO4 ,ug m-3 ,PM25_SO4[3] \nPM25_TOT ,ug m-3 ,PM25[3] \nPM25_UNSPEC1 ,ug m-3 ,PM25_UNSP1[3] \nPM25_UNSPCRS ,ug m-3 ,PM25_UNSPCRS[3] \n \n\n!! PM10.0 and Coarse-Sized Species\nPM10 ,ug m-3 ,PM10[3]\n \nPMC_CL ,ug m-3 ,PM25TO10_CL[3]\nPMC_NA ,ug m-3 ,PM25TO10_NA[3]\nPMC_NH4 ,ug m-3 ,PM25TO10_NH4[3] \nPMC_NO3 ,ug m-3 ,PM25TO10_NO3[3] \nPMC_SO4 ,ug m-3 ,PM25TO10_SO4[3] \nPMC_TOT ,ug m-3 ,PM25TO10[3] \n \n!! FRM PM Equivalent Calculation\nPMIJ_FRM ,ug m-3 ,PMF_FRM[3]\nPM25_FRM ,ug m-3 ,PM25_FRM[3]\n" }, { "path": "CCTM/src/MECHS/cracmm2/cracmm2_speciesdescription.csv", "content": "Species,Description\r\nACD,Acetaldehyde \r\nACE,Acetylene \r\nACO3,Acetyl peroxy radicals\r\nACRO,Acrolein\r\nACT,Acetone\r\nACTP,Peroxy radicals formed from ACT\r\nADCN,Aromatic-NO3 adduct from PHEN\r\nADDC,Aromatic-HO adduct from CSL\r\nALD,C3 and higher aldehydes\r\nAPI,Alpha-pinenes and other cyclic terpenes with one double bond\r\nAPINP1,Peroxy radicals from API+NO3 that do not undergo autoxidation\r\nAPINP2,Peroxy radicals from API+NO3 that undergo autoxidation\r\nAPIP1,Peroxy radicals from API+OH that do not undergo autoxidation\r\nAPIP2,Peroxy radicals from API+OH that undergo autoxidation\r\nBAL1,Peroxy radicals formed from BALD \r\nBAL2,Peroxy radicals formed from BALD \r\nBALD,Benzaldehyde and other aromatic aldehydes\r\nBALP,Peroxy radicals formed from BALD \r\nBDE13,1;3-butadiene\r\nBDE13P,Peroxy radicals from BDE13\r\nBEN,Benzene\r\nBENP,Peroxy radicals formed from benzene\r\nCHO,Phenoxy radical formed from CSL\r\nCO,Carbon monoxide\r\nCSL,Cresol and other hydroxy substituted aromatics \r\nDCB1,Unsaturated dicarbonyls\r\nDCB2,Unsaturated dicarbonyls\r\nDCB3,Unsaturated dicarbonyls\r\nEBZ,Ethylbenzene\r\nEBZP,Peroxy radicals from EBZ\r\nECH4,Methane\r\nELHOM,Extremely-low volatility highly oxygenated molecules from terpenes\r\nEOH,Ethanol\r\nETE,ethene \r\nETEG,Ethylene glycol\r\nETEP,Peroxy radicals formed from ETE\r\nETH,ethane \r\nETHP,Peroxy radicals formed from ethane and other species \r\nFURAN,Furans and other dienes\r\nFURANO2,Peroxy radicals from FURAN oxidation\r\nFURANONE,Ring-retaining ketone product from FURAN oxidation\r\nGLY,Glyoxal and glycoaldehydes \r\nH2O2,Hydrogen peroxide\r\nHC10,Alkanes and other species with HO rate constant greater than 6.8x10-12 cm3 s-1\r\nHC10P,Peroxy radicals formed from HC10 \r\nHC10P2,Hydroxy peroxy radicals from HC10P alkoxy product\r\nHC3,Alkanes and other species with HO rate constant less than 3.4x10-12 cm3 s-1 \r\nHC3P,Peroxy radicals formed from HC3\r\nHC5,Alkanes and other species with HO rate constant between 3.4x10-12 and 6.8x10-12 cm3 s-1 \r\nHC5P,Peroxy radicals formed from HC5\r\nHCHO,Formaldehyde \r\nHKET,Hydroxy ketone \r\nHNO3,Nitric acid\r\nHNO4,Pernitric acid \r\nHO,Hydroxy radical\r\nHO2,Hydroperoxy radical\r\nHOM,Highly oxygenated molecules from terpenes\r\nHONIT,Second generation monoterpene nitrates\r\nHONO,Nitrous acid \r\nIEPOX,isoprene epoxydiols \r\nIEPOXP,IEPOX intermediate (tracking species)\r\nINALD,Isoprene nitrates\r\nINO2,Isoprene nitrate-derived peroxy radicals\r\nIPX,Isoprene tetrafunctional compounds\r\nISHP,Beta-hydroxy hydroperoxides from ISOP+HO2\r\nISO,Isoprene \r\nISON,Beta-hydroxyalkylnitrates from ISOP+NO alkylnitrates from ISO+NO3\r\nISOP,Peroxy radicals formed from ISO+HO \r\nKET,ketones\r\nKETP,Peroxy radicals formed from KET\r\nLIM,d-limonene and other cyclic diene-terpenes \r\nLIMAL,Limonene aldehyde and similar LIM-derived aldehydes\r\nLIMALP,Peroxy radicals from LIMAL\r\nLIMNP1,Peroxy radicals from LIM+NO3 that do not undergo autoxidation\r\nLIMNP2,Peroxy radicals from LIM+NO3 that undergo autoxidation\r\nLIMP1,Peroxy radicals from LIM+OH that do not undergo autoxidation\r\nLIMP2,Peroxy radicals from LIM+OH that undergo autoxidation\r\nMACP,Peroxy radicals formed from MACR+HO\r\nMACR,methacrolein and other C4 aldehydes \r\nMAHP,Hydroperoxides from MACP+HO2 \r\nMCP,Peroxy radical formed from MACR + HO which does not form MPAN\r\nMCT,Methyl catechol\r\nMCTO,Alkoxy radical formed from MCT+HO and MCT+NO3\r\nMCTP,Radical formed fro MCT+O3 reaction \r\nMEK,Methyl ethyl ketone\r\nMEKP,Peroxy radicals formed from MEK\r\nMGLY,Methylglyoxal and other alpha-carbonyl aldehydes \r\nMO2,Methyl peroxy radical\r\nMOH,Methanol \r\nMPAN,Peroxymethacryloylnitrate and other higher peroxyacylnitrates from isoprene oxidation\r\nMVK,Methyl vinyl ketone\r\nMVKP,Peroxy radicals formed from MVK\r\nN2O5,Dinitrogen pentoxide \r\nNAPH,Naphthalene and other PAHs\r\nNAPHP,Peroxy radicals from NAPH oxidation\r\nNO,Nitric oxide \r\nNO2,Nitrogen dioxide \r\nNO3,Nitrogen trioxide\r\nO1D,Excited state oxygen atom; O(1D) \r\nO3,Ozone\r\nO3P,Ground state oxygen atom; O(3P)\r\nOLI,Internal alkenes \r\nOLIP,Peroxy radicals formed from OLI\r\nOLND,NO3-alkene adduct reacting via decomposition \r\nOLNN,NO3-alkene adduct reacting to form carbonitrates + HO2 \r\nOLT,Terminal alkenes \r\nOLTP,Peroxy radicals formed from OLT\r\nONIT,Organic nitrates\r\nOP1,Methyl hydrogen peroxide \r\nOP2,Higher organic peroxides \r\nOP3,Semivolatile organic peroxide\r\nOPB,Terpene-derived peroxides\r\nORA1,Formic acid\r\nORA2,Acetic acid and higher acids \r\nORAP,Peroxy radical formed from ORA2 + HO reaction\r\nPAA,Peroxyacetic acids and higher analogs\r\nPAN,Peroxyacetyl nitrate and higher saturated PANs \r\nPHEN,phenol and benzene diols\r\nPINAL,Pinonaldehyde and similar APIN-derived aldehydes\r\nPINALP,Peroxy radicals from PINAL oxidation\r\nPPN,Peroxypropionyl nitrate\r\nPROG,Propylene glyocol and other 3 carbon dialcohols\r\nRCO3,Higher saturated acyl peroxy radicals\r\nROCIOXY,Intermediate volatility oxygenated ROC species (directly emitted)\r\nROCN1ALK,Alkane-like ROC species with C* of 10-1 ug/m3\r\nROCN1OXY1,Oxygenated ROC species with C* of 10-1 ug/m3 and O:C of 0.1\r\nROCN1OXY3,Oxygenated ROC species with C* of 10-1 ug/m3 and O:C of 0.3\r\nROCN1OXY6,Oxygenated ROC species with C* of 10-1 ug/m3 and O:C of 0.6\r\nROCN2ALK,Alkane-like ROC species with C* of 10-2 ug/m3\r\nROCN2OXY2,Oxygenated ROC species with C* of 10-1 ug/m3 and O:C of 0.2\r\nROCN2OXY4,Oxygenated ROC species with C* of 10-2 ug/m3 and O:C of 0.4\r\nROCN2OXY8,Oxygenated ROC species with C* of 10-2 ug/m3 and O:C of 0.8\r\nROCP0ALK,Alkane-like ROC species with C* of 1 ug/m3\r\nROCP0OXY2,Oxygenated ROC species with C* of 1 ug/m3 and O:C of 0.2\r\nROCP0OXY4,Oxygenated ROC species with C* of 1 ug/m3 and O:C of 0.4\r\nROCP1ALK,Alkane-like ROC species with C* of 10 ug/m3\r\nROCP1ALKP,Peroxy radicals from ROCP1ALK oxidation\r\nROCP1ALKP2,Hydroxy peroxy radicals from ROCP1ALK alkoxy product\r\nROCP1OXY1,Oxygenated ROC species with C* of 10 ug/m3 and O:C of 0.1\r\nROCP1OXY3,Oxygenated ROC species with C* of 10 ug/m3 and O:C of 0.3\r\nROCP2ALK,Alkane-like ROC species with C* of 10+2 ug/m3\r\nROCP2ALKP,Peroxy radicals from ROCP2ALK oxidation\r\nROCP2ALKP2,Hydroxy peroxy radicals from ROCP2ALK alkoxy product\r\nROCP2OXY2,Oxygenated ROC species with C* of 10+2 ug/m3 and O:C of 0.2\r\nROCP3ALK,Alkane-like ROC species with C* of 10+3 ug/m3\r\nROCP3ALKP,Peroxy radicals from ROCP3ALK oxidation\r\nROCP3ALKP2,Hydroxy peroxy radicals from ROCP3ALK alkoxy product\r\nROCP3OXY2,Oxygenated ROC species with C* of 10+3 ug/m3 and O:C of 0.2\r\nROCP4ALK,Alkane-like ROC species with C* of 10+4 ug/m3\r\nROCP4ALKP,Peroxy radicals from ROCP4ALK oxidation\r\nROCP4ALKP2,Hydroxy peroxy radicals from ROCP4ALK alkoxy product\r\nROCP4OXY2,Oxygenated ROC species with C* of 10+4 ug/m3 and O:C of 0.2\r\nROCP5ALK,Alkane-like ROC species with C* of 10+5 ug/m3\r\nROCP5ALKP,Peroxy radicals from ROCP5ALK oxidation\r\nROCP5ALKP2,Hydroxy peroxy radicals from ROCP5ALK alkoxy product\r\nROCP5ARO,Aromatic ROC species with C* of 10+5 ug/m3\r\nROCP5AROP,Peroxy radicals from ROCP5ARO oxidation\r\nROCP5OXY1,Oxygenated ROC species with C* of 10+5 ug/m3 and O:C of 0.1\r\nROCP6ALK,Alkane-like ROC species with C* of 10+6 ug/m3\r\nROCP6ALKP,Peroxy radicals from ROCP6ALK oxidation\r\nROCP6ALKP2,Hydroxy peroxy radicals from ROCP6ALK alkoxy product\r\nROCP6ARO,Aromatic ROC species with C* of 10+6 ug/m3\r\nROCP6AROP,Peroxy radicals from ROCP6ARO oxidation\r\nROCP6OXY1,Oxygenated ROC species with C* of 10+6 ug/m3 and O:C of 0.1\r\nROH,C3 and higher alcohols \r\nSESQ,Sesquiterpenes \r\nSESQNRO2,Peroxy radicals from SESQ reaction with nitrate radicals\r\nSESQRO2,Peroxy radicals from SESQ reaction with OH\r\nSLOWROC,Slowly reacting ROC with kOH< 3.5x10-13 cm3 s-1 \r\nSO2,Sulfur dioxide\r\nSTY,Styrene\r\nSTYP,Peroxy radicals from STY\r\nSULF,Sulfuric acid\r\nSULRXN,Precursor of Aerosol Sulfate (tracking species) \r\nTOL,Toluene \r\nTOLP,Peroxy radicals formed from TOL\r\nTRPN,First generation monoterpene nitrates\r\nUALD,Unsaturated aldehydes\r\nUALP,Peroxy radicals formed from UALD \r\nXO2,Accounts for addition NO to NO2 conversions (tracking species)\r\nXYL,Xylenes and other volatile aromatics \r\nXYLP,Peroxy radicals formed from XYL\r\nHCL,Hydrochloric acid\r\nNH3,Ammonia\r\nASO4,Total sulfur IV as sulfate\r\nANH4,Ammonium ion\r\nANO3,Nitrate ion\r\nASOAT,An empirical SOA\r\nAGLY,SOA from reactive uptake of glyoxal on particles\r\nAORGC,SOA from cloud processing of GLY and MGLY\r\nAEC,Elemental carbon\r\nAOTHR,Primary unspeciated fine PM\r\nAFE,Iron ion\r\nAAL,Aluminum ion\r\nASI,Silicon\r\nATI,Titanium\r\nACA,Calcium ion\r\nAMG,Magnesium ion\r\nAK,Potassium ion\r\nAMN,Manganese ion\r\nACORS,Primary unspeciated coarse PM\r\nASOIL,Lumped crustal species\r\nAORGH2O,Water associated with particulate organic compounds\r\nAH2O,Water associated with particulate inorganic compounds\r\nAH3OP,Hydronium ion tracer\r\nANA,Sodium ion\r\nACL,Chloride ion\r\nASEACAT,Sea spray cations\r\nAPOC,Primary organic carbon (legacy)\r\nAPNCOM,Primary non-carbon organic matter (legacy)\r\nAISO3NOS,Non-sulfated SOA from IEPOX uptake\r\nAISO3OS,Organosulfate SOA from IEPOX uptake\r\nAISO4,Multifunctional product from heterogeneous uptake of IPX\r\nAISO5,Multifunctional product from heterogeneous uptake of INALD\r\nNUM,Number of particles\r\nSRF,Surface area of particles\r\nATRPN,SOA from TRPN\r\nAHONIT,SOA from HONIT\r\n" }, { "path": "CCTM/src/MECHS/cracmm2/mech_cracmm2.def", "content": "!! CRACMM version 1.0 mechanism developed 2021 by USEPA\n!! CRACMM builds upon RACM2 and RACM\n!! **********************************************************************\n!! FILE: RACM2.5M4.mch - update MACR scheme with geos-chem\n!! DATE: Sept 4, 2012 - update MVK + O3 rxn\n!! VERSION: Final Frozen Version - all updates from reviewers\n!! ID: RACM Version 2.5M1 - updates from IUPAC JAN 2008\n!! LAST UPDATE: Sept 4, 2012\n!! --------------------------------------------------------------------\n!! Based on REGIONAL ATMOSPHERIC CHEMISTRY MECHANISM (RACM) Version 1.3\n!! Reference: W.R. Stockwell, F. Kirchner, M. Kuhn, and S. Seefeld, \"A\n!! New Mechanism for Regional Atmospheric Chemistry Modeling\", J. of\n!! Geophys. Res., 1997.\n!! --------------------------------------------------------------------\n!! FOR MORE INFORMATION REGARDING THIS MECHANISM CONTACT:\n!! Wendy S. Goliff\n!! CE-CERT\n!! UC Riverside\n!! 1084 Columbia Ave\n!! Riverside, CA 92507\n!! E-MAIL: wendyg@cert.ucr.edu\n!! Telephone: (951) 781-5665\n!! FAX:\n!! OR\n!! William R. Stockwell\n!! Department of Chemistry, Room 120\n!! Howard University\n!! 525 College Street, NW\n!! Washington DC 20059\n!! E-MAIL: William.R.Stockwell@gmail.com\n!! Telephone: (202) 806-6913\n!! FAX: (202) 806-5442\n! **********************************************************************\n! The RACM2 mechanism is based upon the earlier Regional Atmospheric\n! Chemistry Mechanism (RACM) mechanism. It is intended to be valid for\n! conditions ranging from remote to polluted and from the Earth's\n! surface through the upper troposphere. The RACM2 mechanism includes\n! 356 reactions and 117 total species: 17 stable inorganic species, 4\n! inorganic intermediates, 54 stable organic species (4 of these are\n! primarily of biogenic origin) and 42 organic intermediates.\n! **********************************************************************\n! **********************************************************************\n! Reformatted by Golam Sarwar in September 2012 for making it compatible with CMAQ\n! Following species have been removed from the product list since these are used as constants in CMAQ - CH4, H2, O2\n! Following species have been removed from the product list since these are used as input to CMAQ - H2O\n! Following species have been removed from the product list since CMAQ does not track these species - CO2\n!\n!\n! Modified for incorporating secondary sulfate and SOA mechanism\n! Added SULRXN - counter species for aerosol from SO2 + OH reaction\n! Added ISOPRXN - counter species for aerosol from ISO + OH reaction\n! Added TRPRXN - counter species for aerosol from API and LIM\n! Added TOLRO2, XYLRO2, BENZRO2 - first generation products from TOL, XYL and BEN that further react with NO and NO2 to produce SVOC\n! Added two reactions for TOLRO2, added TOLNRXN, TOLHRXN - counter species for aerosol from TOL\n! Added two reactions for XYLRO2, added XYLNRXN, XYLHRXN - counter species for aerosol from XYL and XYO\n! Added two reactions for BENZRO2 added BNZNRXN, BNZHRXN - counter species for aerosol from BEN\n! Added three reactions for SESQ from sesquiterpene, added SESQRXN - counter species for aerosol from SESQ\n! BEN is changed to BENZENE since SOA module is expecting BENZENE, not BEN\n! ADDED ALK5 FOR SOA PRODUCTION from HC8\n!\n! Rate constant for R051 has a special expression\n!\n! Revised the rate constant of R65 based on IUPAC2010\n!\n! Wendy Goliff corrected type errors in R110 and R111\n!\n! B.Hutzell 07/10/14\n! added inorganic heterogeneous reactions for N2O5 and NO2, oligomerization reactions for\n! SOA species and aging reactions for primary organic carbon and non-carbon aerosol species\n! B.Hutzell 11/3/14\n! -changed ALK5RXN yield in reaction from 1.0 to 0.47 based on SOA updates\n! suggested by H. Pye's for cb05e51_ae6_aq\n! -Modified by splitting oligomerization into two reactions: one for each\n! Alkene SOA species. The new species were introduced in cb05e51_ae6_aq\n! Golam Sarwar 12/02/14\n! -Added a simple halogen chemistry over sea-water\n! Golam Sarwar 6/25/15\n! -Revised the simple halogen chemistry over sea-water using results of two-way CMAQ model and detailed halogen chemistry\n! Golam Sarwar 6/29/15\n! - Updated SOA formation; see CB05 changes done by Havala Pye for details\n! - Added ISOPRXN counter to ISO + NO3 reaction to add SOA formation\n! - Added SOAALK + OH reaction for SOA production and removed ALK5RXN from R075\n! - Added Naphthalene reaction for SOA\n! - Added heterogeneous uptake of IEPOX on acidic aerosol\n! - Yield of XYLRO2 in R083 is reduced to 0.98 to prevent double counting of SOA production from XYM since naphthalene is also included in XYM\n! - 0.98 is the emission ratio of (XYM-NAPTH)/XYM for July 2011\n! 05-25-17 B. Hutzell\n! 1. updated the oligomerization reactions to be consistent with the\n! saprc07tic_ae6_aq mechanism.\n! 03-04-21 G. Sarwar\n! updated \n!------------------------------------------------------------------------------\n! CRACMMv1.0 modifications\n! - XYO and XYP combined and replaced with XYE (R084c). Retains products of XYO\n! (same as XYP) but decreases kOH to surrogate (ethylbenzene) value.\n! Major contributors ethylbenzene and o-xylene.\n! - renamed BENZENE to BEN for greater consistency in name length\n! - added HAP placeholder chemistry for BDE13, ACRO. NAPH already present.\n! - added PROG based on Coggon et al. PNAS 2021 and\n! MCM http://mcm.york.ac.uk/browse.htt?species=PROPGLY\n! - Photolysis updates added per B. Hutzell\n! - FURAN chemistry added based on Wang et al. JGR 2021, Schwantes, Coggon\n! - SESQ chemistry added based on MCM per H. Pye\n! - Phenolic (PHEN, CSL) SOA added per H. Pye\n! - Monoterpene nitrates added per B. Place\n! - ACRO, BDE13 chemistry added per E. D'Ambro\n! - Oxygenated ROC (ROCOXY) chemistry added per B. Murphy\n! - Alkane ROC (ROCALK) chemistry added per K. Seltzer\n! - HC8 replaced with HC10 following ROCALK template by H. Pye\n! - Aromatic chemistry (ROCARO, NAPH, BTX) added per H. Pye\n! - AMORE isoprene condensation from Woods Wiser and Faye McNeill implemented by B. Place\n!------------------------------------------------------------------------------\n! 10-18-21 G. Sarwar\n! updated rate constants for inorganic reactions and three organic reactions (R70-R71)\n! added one photolysis reaction (R014a), updated reaction products for R016 and R017\n! updated photolysis rate coefficients for CH3COCH3, MEK, KET, ALD, HCHO\n!------------------------------------------------------------------------------\n! CRACMM2 modifications (N. Skipper, H. Pye) (Skipper et al. in prep for ACP in 2024)\n! - Updated AMORE isoprene condensation to AMORE v1.2 (Woods Wiser, Faye McNeill)\n! - Added ECH4 + HO reaction for emissions of CH4 above background\n! - Added heterogeneous uptake of HO2 and NO3 same as Zhu et al. 2024 ACP\n! - Updated monoterpene chemistry based on Schwantes et al. ACP 2020 and assuming\n! API is 65/35 a-pinene/b-pinene in emissions\n! - Updated monoterpene nitrate chemistry to include second generation monoterpene\n! nitrate, hydrolysis losses, and photolysis losses. Also revised chemical\n! reaction products to include some NOx cycling.\n! - Added styrene (STY) chemistry based on MCM\n! - Updated xylene (XYL) and ethylbenzene (EBZ) species names (no chemistry changes)\n!\n! Notes on elemental balance terms (DELTA_C, DELTA_N, DELTA_SI):\n! - DELTA_C, DELTA_N, and DELTA_SI appear in reactions where the number of carbons,\n! nitrogens, or silicons are not balanced in the reactants and products.\n! - These species are ignored in the chemistry (see ELIMINATE block) and are only\n! for informational purposes.\n! - The sign of DELTA_* indicates whether an element is being lost or produced in\n! the reaction. Using DELTA_C as an example, -DELTA_C means the reaction has\n! a net production of carbon (carbon needs to be subtracted to make the number\n! of carbons in the products match the number of carbons in the reactants).\n! +DELTA_C means the reaction has a net loss of carbon (carbon needs to be added\n! to make the number carbons in the products match the number of carbons in\n! the reactants).\n!------------------------------------------------------------------------------\nCRACMM2\n\nELIMINATE = \nDELTA_SI;\nDELTA_N;\nDELTA_C;\nEND ELIMINATE\n\n\n\n\n\n\n\nREACTIONS[CM] = \n\n O3 = O3P # 1.0/;\n O3 = O1D # 1.0/;\n H2O2 = 2.000*HO # 1.0/;\n NO2 = O3P + NO # 1.0/;\n NO3 = NO # 1.0/;\n NO3 = O3P + NO2 # 1.0/;\n HONO = HO + NO # 1.0/;\n HNO3 = HO + NO2 # 1.0/;\n HNO4 = 0.200*HO + 0.800*HO2 + 0.800*NO2 + 0.200*NO3 \n # 1.0/; \n HCHO = CO # 1.0/;\n HCHO = 2.000*HO2 + CO # 1.0/;\n ACD = HO2 + MO2 + CO # 1.0/;\n ALD = HO2 + ETHP + CO # 1.0/;\n ACT = MO2 + ACO3 # 1.0/;\n ACT = 2.000*MO2 + CO # 1.0/;\n UALD = 1.220*HO2 + 0.784*ACO3 + 1.220*CO + 0.350*HCHO \n + 0.434*ALD + 0.216*KET - 0.5200*DELTA_C \n # 1.0/; \n PINAL = HO2 + HC10P + CO - 1.0000*DELTA_C # 1.0/;\n LIMAL = HO2 + HC10P + CO - 1.0000*DELTA_C # 1.0/;\n MEK = 0.100*MO2 + ETHP + 0.900*ACO3 + 0.100*CO # 1.0/;\n KET = 1.500*ETHP + 0.500*ACO3 + 0.500*CO + 0.5000*DELTA_C \n # 1.0/; \n HKET = HO2 + ACO3 + HCHO # 1.0/;\n\n MACR = 0.340*HO + 0.660*HO2 + 0.670*ACO3 + 0.330*MACP \n + 0.340*XO2 + 0.670*CO + 0.670*HCHO # 1.0/; \n MVK = 0.300*MO2 + 0.300*MACP + 0.700*CO + 0.700*UALD \n - 1.7000*DELTA_C # 1.0/; \n GLY = 2.000*CO # 1.0/;\n GLY = HCHO + CO # 1.0/;\n GLY = 2.000*HO2 + 2.000*CO # 1.0/;\n MGLY = HO2 + ACO3 + CO # 1.0/;\n DCB1 = 1.500*HO2 + 0.250*ACO3 + 0.200*XO2 + CO + 0.500*GLY \n + 0.500*MGLY + 1.0000*DELTA_C # 1.0/; \n DCB2 = 1.500*HO2 + 0.250*ACO3 + 0.200*XO2 + CO + 0.500*GLY \n + 0.500*MGLY + 2.0000*DELTA_C # 1.0/; \n BALD = CHO + HO2 + CO - 2.0000*DELTA_C # 1.0/;\n OP1 = HO + HO2 + HCHO # 1.0/;\n OP2 = HO + HO2 + ALD - 1.0000*DELTA_C # 1.0/;\n OPB = HO + HO2 + ALD + 7.0000*DELTA_C # 1.0/;\n OP3 = HO + HO2 + ALD + 5.0000*DELTA_C # 1.0/;\n PAA = HO + MO2 + 1.0000*DELTA_C # 1.0/;\n ONIT = HO2 + NO2 + 0.200*ALD + 0.800*KET - 0.6000*DELTA_C \n # 1.0/; \n PAN = ACO3 + NO2 # 1.0/;\n PAN = MO2 + NO3 + 1.0000*DELTA_C # 1.0/;\n TRPN = NO2 + 0.670*KET + 0.330*UALD + 5.0000*DELTA_C \n # 1.0/; \n HONIT = HKET + NO2 + 7.0000*DELTA_C # 1.0/;\n O3 + HO = HO2 # 1.7E-12 @ 940.;\n O3 + HO2 = HO # 1.0E-14 @ 490.;\n O3 + NO = NO2 # 3.0E-12 @ 1500.;\n O3 + NO2 = NO3 # 1.2E-13 @ 2450.;\n O3P + O2 + M = O3 # 6.10E-34 ^ -2.4;\n O3P + O3 = # 8.0E-12 @ 2060.;\n O1D + O2 = O3P # 3.3E-11 @ -55.;\n O1D + N2 = O3P # 2.15E-11 @ -110.;\n O1D + H2O = 2.000*HO # 1.63E-10 @ -60.0;\n HO + H2 = HO2 # 2.80E-12 @ 1800.;\n HO + HO2 = # 4.8E-11 @ -250.;\n HO2 + HO2 = H2O2 %3 # 3.0E-13 @ -460. & 2.1E-33 @ -920.;\n HO2 + HO2 + H2O = H2O2 %3 # 4.20E-34 @ -2660. \n & 2.94E-54 @ -3120.; \n H2O2 + HO = HO2 # 1.8E-12 @ 0.;\n NO + O3P = NO2 # 9.1E-32 ^ -1.5 & 3.0E-11 ^ 0.0 ;\n NO + HO = HONO # 7.1E-31 ^ -2.6 & 3.6E-11 ^ -0.1;\n NO + HO2 = NO2 + HO # 3.44E-12 @ -260.;\n NO + HO2 = HNO3 %3 # 6.095e-14^-1.0@-270.0 \n & 6.857e-34^1.0@-270.0& -5.968e-14@-270.0; \n NO + NO + O2 = 2.000*NO2 # 4.25E-39 @ -663.5;\n HONO + HO = NO2 # 3.0E-12 @ -250.;\n NO2 + O3P = NO # 5.3E-12 @ -200.;\n NO2 + O3P = NO3 # 3.4E-31 ^ -1.6 & 2.3E-11 ^ -0.2;\n NO2 + HO = HNO3 # 1.80E-30 ^ -3.0 & 2.80E-11 ^ 0.0;\n HNO3 + HO = NO3 %2 # 2.4E-14 @ -460 & 2.7E-17 @ -2199 \n & 6.5E-34 @ -1335; \n NO3 + HO = HO2 + NO2 # 2.0E-11;\n NO3 + HO2 = 0.700*HO + 0.700*NO2 + 0.300*HNO3 # 3.50E-12;\n NO3 + NO = 2.000*NO2 # 1.7E-11 @ -125.;\n NO3 + NO2 = NO + NO2 # 4.35E-14 @ 1335.;\n NO3 + NO3 = 2.000*NO2 # 8.5E-13 @ 2450.;\n NO3 + NO2 = N2O5 # 2.40E-30 ^ -3.0 & 1.6E-12 ^ +0.1;\n N2O5 = NO2 + NO3 # 5.80E-27 @ -10840.0 *E;\n N2O5 + H2O = 2.000*HNO3 # 1.0E-22;\n NO2 + HO2 = HNO4 # 1.9E-31 ^ -3.4 & 4.0E-12 ^ -0.3;\n HNO4 = HO2 + NO2 # 2.10E-27 @ -10900.0 *E;\n HNO4 + HO = NO2 # 4.50E-13 @ -610.;\n SO2 + HO = HO2 + SULF + SULRXN # 2.9E-31 ^ -4.1 \n & 1.7E-12 ^ +0.2; \n CO + HO = HO2 + 1.0000*DELTA_C %3 # 1.44E-13 @ 0.0 \n & 2.74E-33 @ 0.0; \n HO + CH4 = MO2 - 1.0000*DELTA_C # 2.45E-12 @ 1775.;\n ETH + HO = ETHP # 7.66E-12 @ 1020.;\n HC3 + HO = HC3P + 0.0000281*ASOATJ - 0.0001*DELTA_C \n # 7.68E-12 @ 370.; \n HC5 + HO = HC5P + 0.00134*ASOATJ - 0.0093*DELTA_C \n # 1.01E-11 @ 245.; \n ETE + HO = ETEP # 1.0E-28 ^ -4.5 & 8.8E-12 ^ -0.85;\n OLT + HO = OLTP # 5.72E-12 @ -500.;\n OLI + HO = OLIP # 1.33E-11 @ -500.;\n ACE + HO = 0.650*HO + 0.350*HO2 + 0.350*CO + 0.650*GLY \n + 0.350*ORA1 # 5.5E-30 ^ 0.0 & 8.3E-13 ^ 2.0; \n! MCM-based chemistry for aromatics, RACM2 rates for BEN, TOL, XYL, EBZ\n BEN + HO = 0.470*BENP + 0.530*PHEN + 0.530*HO2 \n # 2.33E-12 @ 193.; \n TOL + HO = 0.820*TOLP + 0.180*CSL + 0.180*HO2 \n - 0.3600*DELTA_C # 1.81E-12 @ -354.; \n XYL + HO = 0.830*XYLP + 0.170*CSL + 0.170*HO2 \n - 0.1700*DELTA_C # 2.33E-11; \n EBZ + HO = 0.820*EBZP + 0.180*CSL + 0.180*HO2 \n - 0.1800*DELTA_C #7.16E-12; \n!Isoprene AMORE mechanism\n ISO + O3 = 0.250*HO + 0.250*HO2 + 0.400*MO2 + 0.018*ACO3 \n + 0.100*MACP + 0.090*H2O2 + 0.220*CO + HCHO \n + 0.300*MACR + 0.140*MVK + 0.280*ORA1 + 0.153*OLT \n + 0.4450*DELTA_C # 1.58E-14 @ 2000; \n ISO + NO3 = 0.400*NO2 + 0.045*ISON + 0.350*HCHO + 0.555*INO2 \n + 0.260*MVK + 0.028*MACR + 0.4980*DELTA_C \n # 2.95E-12 @ 450; \n ISO + HO = ISOP + 0.250*HCHO + 0.030*MACR + 0.050*MGLY \n - 0.5200*DELTA_C # 2.69E-11 @ -390; \n ISOP + HO2 = ISHP + 0.070*HO2 + 0.500*HO # 4.5E-13 @ -1300;\n ISOP + NO = 0.130*ISON + 0.400*HCHO + 0.880*HO2 + 0.870*NO2 \n + 0.180*MACR + 0.510*MVK + 1.1900*DELTA_C \n # 6E-12 @ -350; \n ISHP + HO = ISOP # 4.6E-12 @ -200;\n ISHP + HO = 0.040*MGLY + 0.020*GLY + 0.130*MVK + 0.440*IEPOX \n + 0.110*ACO3 + 0.030*MACR + 2.000*HO + 0.340*HO2 \n + 0.140*IPX + CO + 0.0800*DELTA_C # 2.97E-11 @ -390; \n INO2 + HO2 = 0.450*HO + 0.950*INALD + 0.020*IPX \n + 0.0500*DELTA_N + 0.1500*DELTA_C # 3.14E-11 @ -580; \n INO2 + NO = 0.150*MVK + 0.650*INALD + 0.050*ISON + 0.200*HCHO \n + 1.300*NO2 + 0.7000*DELTA_C # 9.42E-12 @ -580; \n ISON + HO = HO + 0.350*INALD + 0.170*IEPOX + 0.650*NO2 \n + 2.4000*DELTA_C # 2.4E-11 @ -390; \n HO + INALD = CO + NO2 + 0.300*HO2 + HCHO + 3.0000*DELTA_C \n # 1.50E-11; \n ISON = HNO3 + ROH + 2.0000*DELTA_C # 4E-5;\n IPX + HO = 0.570*MACR + 0.430*MVK + 1.0000*DELTA_C # 3E-12;\n! end AMORE isoprene chemistry\n\n API + HO = 0.975*APIP1 + 0.025*APIP2 # 1.21E-11 @ -440.;\n LIM + HO = 0.945*LIMP1 + 0.055*LIMP2 # 4.20E-11 @ -401.;\n PINAL + HO = 0.230*PINALP + 0.770*RCO3 + 5.3900*DELTA_C \n # 5.20E-12 @ -600.; \n LIMAL + HO = 0.830*LIMALP + 0.170*RCO3 + 1.1900*DELTA_C \n # 1.10E-10; \n HCHO + HO = HO2 + CO # 5.50E-12 @ -125.;\n ACD + HO = ACO3 # 4.70E-12 @ -345.;\n ALD + HO = RCO3 # 4.90E-12 @ -405.;\n ACT + HO = ACTP # 4.56E-14 ^ 3.65 @ 427;\n MEK + HO = MEKP # 1.5E-12 @ 90.;\n KET + HO = KETP # 2.8E-12 @ -10.;\n HKET + HO = HO2 + MGLY # 3.0E-12;\n MACR + HO = 0.570*MACP + 0.430*MCP # 8.00E-12 @ -380.;\n MVK + HO = MVKP # 2.60E-12 @ -610.;\n UALD + HO = 0.313*ACO3 + 0.687*UALP + 0.9390*DELTA_C \n # 5.77E-12 @ -533.; \n GLY + HO = HO2 + 2.000*CO # 1.1E-11;\n MGLY + HO = ACO3 + CO # 9.26E-13 @ -830.;\n DCB1 + HO = 0.520*HO2 + 0.330*CO + 0.400*ALD + 0.780*KET \n + 0.100*GLY + 0.010*MGLY - 0.6600*DELTA_C \n # 2.8E-11 @ -175.; \n DCB2 + HO = 0.520*HO2 + 0.330*CO + 0.130*MEK + 0.100*GLY \n + 0.010*MGLY + 0.780*OP2 + 3.3600*DELTA_C \n # 2.8E-11 @ -175.; \n DCB3 + HO = 0.560*HO2 + 0.210*MACP + 0.110*CO + 0.270*GLY \n + 0.010*MGLY + 0.790*OP2 + 0.9000*DELTA_C # 1.00E-11; \n BALD + HO = BALP # 5.32E-12 @ -243.;\n PHEN + HO = 0.152*ASOATJ + 0.619*HO2 + 0.170*ADDC + 0.059*CHO \n + 0.619*MCT - 1.0590*DELTA_C # 6.75E-12 @ -405.; \n CSL + HO = 0.200*ASOATJ + 0.584*HO2 + 0.160*ADDC + 0.056*CHO \n + 0.584*MCT + 1.9440*DELTA_C # 4.65E-11 @ 0.0; \n MCT + HO = MCTO # 2.05E-10 @ 0.0;\n MOH + HO = HO2 + HCHO # 2.85E-12 @ 345.;\n EOH + HO = HO2 + ACD # 3.0E-12 @ -20.;\n ROH + HO = HO2 + 0.719*ALD + 0.184*ACD + 0.4750*DELTA_C \n # 2.6E-12 @ -200.; \n ETEG + HO = HO2 + ALD - 1.0000*DELTA_C # 1.47E-11;\n OP1 + HO = 0.350*HO + 0.650*MO2 + 0.350*HCHO # 2.9E-12 @ -190.;\n OP2 + HO = 0.010*HO + 0.440*HC3P + 0.070*XO2 + 0.080*ALD \n + 0.410*KET - 1.6100*DELTA_C # 3.40E-12 @ -190.0; \n OPB + HO = 0.010*HO + 0.440*HC10P + 0.070*XO2 + 0.080*ALD \n + 0.410*KET + 3.3100*DELTA_C # 3.40E-12 @ -190.0; \n OP3 + HO = 0.010*HO + 0.440*HC10P + 0.070*XO2 + 0.080*ALD \n + 0.410*KET + 1.3100*DELTA_C # 3.40E-12 @ -190.0; \n MAHP + HO = MACP # 3.0E-11;\n ORA1 + HO = HO2 + 1.0000*DELTA_C # 4.5E-13;\n ORA2 + HO = 0.640*MO2 + 0.360*ORAP + 0.6400*DELTA_C \n # 4.0E-14 @ -850.; \n PAA + HO = 0.350*HO + 0.650*ACO3 + 0.350*XO2 + 0.350*HCHO \n + 0.3500*DELTA_C # 2.93E-12 @ -190.; \n PAN + HO = XO2 + NO3 + HCHO + 1.0000*DELTA_C # 4.0E-14;\n PPN + HO = XO2 + NO3 + HCHO + 2.0000*DELTA_C # 4.0E-14;\n MPAN + HO = NO2 + HKET + 1.0000*DELTA_C # 3.2E-11;\n ONIT + HO = HC3P + NO2 + 1.0000*DELTA_C # 5.31E-12 @ 260.;\n TRPN + HO = 0.330*HONIT + 0.670*NO2 + 0.270*PINAL + 0.380*KET \n + 0.210*HCHO + 0.020*ALD + 1.8300*DELTA_C # 4.80E-12; \n HONIT + HO = HKET + NO3 + 7.0000*DELTA_C %2 # 2.4E-14 @ -460 \n & 2.7E-17 @ -2199 & 6.5E-34 @ -1335; \n ETE + O3 = 0.080*HO + 0.150*HO2 + 0.430*CO + HCHO + 0.370*ORA1 \n + 0.2000*DELTA_C # 9.14E-15 @ 2580.; \n OLT + O3 = 0.220*HO + 0.320*HO2 + 0.080*MO2 + 0.060*ETHP \n + 0.040*HC3P + 0.020*HC5P + 0.068*H2O2 + 0.430*CO \n + 0.020*ETH + 0.015*HC3 + 0.006*HC5 + 0.032*BEN \n + 0.560*HCHO + 0.010*ACD + 0.440*ALD + 0.030*ACT \n + 0.020*BALD + 0.060*MEK + 0.010*HKET + 0.030*ORA1 \n + 0.060*ORA2 - 0.7070*DELTA_C # 4.33E-15 @ 1800.0; \n OLI + O3 = 0.460*HO + 0.070*HO2 + 0.320*MO2 + 0.070*ETHP \n + 0.040*HC3P + 0.090*ACO3 + 0.370*CO + 0.026*H2O2 \n + 0.010*ETH + 0.010*HC3 + 0.090*HCHO + 0.457*ACD \n + 0.730*ALD + 0.110*ACT + 0.017*KET + 0.044*HKET \n + 0.017*ORA2 + 0.0450*DELTA_C # 4.40E-15 @ 845.0; \n API + O3 = 0.6055*HO + 0.2145*PINALP + 0.255*H2O2 + 0.2535*PINAL \n + 0.0065*ORA2 + 0.1105*HO2 + 0.1105*CO + 0.459*HCHO \n + 0.2805*RCO3 + 0.1785*KET + 0.0665*HC3 + 0.0385*OP1 \n + 0.028*ORA1 + 2.7375*DELTA_C # 8.05e-16 @ 640.; \n LIM + O3 = 0.660*HO + 0.660*LIMAL + 0.330*ACO3 + 0.330*HCHO \n + 0.330*RCO3 + 0.330*H2O2 + 0.010*ORA2 \n + 1.4000*DELTA_C # 2.8E-15 @ 770.; \n LIMAL + O3 = 0.090*HO + ALD + 0.620*HCHO + 0.230*OP1 \n + 0.020*H2O2 + 0.150*ORA1 + 6.0000*DELTA_C \n # 8.30E-18; \n TRPN + O3 = 0.330*HONIT + 0.670*NO2 + 0.270*PINAL + 0.380*KET \n + 0.210*HCHO + 0.020*ALD + 1.8300*DELTA_C # 1.67E-16; \n MACR + O3 = 0.190*HO + 0.140*HO2 + 0.100*ACO3 + 0.220*CO \n + 0.500*MGLY + 0.450*ORA1 + 1.6300*DELTA_C \n # 1.36E-15 @ 2112.; \n MVK + O3 = 0.160*HO + 0.110*HO2 + 0.280*ACO3 + 0.010*XO2 \n + 0.560*CO + 0.100*HCHO + 0.540*MGLY + 0.070*ORA1 \n + 0.070*ORA2 + 0.100*ALD + 0.6500*DELTA_C \n # 8.50E-16 @ 1520.; \n UALD + O3 = 0.100*HO + 0.072*HO2 + 0.008*MO2 + 0.002*ACO3 \n + 0.100*XO2 + 0.243*CO + 0.080*HCHO + 0.420*ACD \n + 0.028*KET + 0.491*GLY + 0.003*MGLY + 0.044*ORA1 \n + 2.6500*DELTA_C # 1.66E-18; \n DCB1 + O3 = 0.050*HO + HO2 + 0.600*RCO3 + 0.600*XO2 + 1.500*CO \n + 0.050*HCHO + 0.050*GLY + 0.080*MGLY + 0.650*OP2 \n + 0.0100*DELTA_C # 2.0E-16; \n DCB2 + O3 = 0.050*HO + HO2 + 0.600*RCO3 + 0.600*XO2 + 1.500*CO \n + 0.050*HCHO + 0.050*GLY + 0.080*MGLY + 0.700*DCB1 \n + 0.650*OP2 - 2.4900*DELTA_C # 2.0E-16; \n DCB3 + O3 = 0.050*HO + HO2 + 1.500*CO + 0.480*GLY + 0.700*DCB1 \n + 0.250*ORA1 + 0.250*ORA2 + 0.110*PAA \n - 2.9300*DELTA_C # 9.0E-17; \n MCTO + O3 = MCTP # 2.86E-13;\n ETE + NO3 = 0.800*OLNN + 0.200*OLND - 1.0000*DELTA_C \n # 4.392E-13^2.0@2282.0; \n OLT + NO3 = 0.430*OLNN + 0.570*OLND # 1.79E-13 @ 450.;\n OLI + NO3 = 0.110*OLNN + 0.890*OLND + 2.0000*DELTA_C \n # 8.64E-13 @ -450.; \n API + NO3 = 0.975*APINP1 + 0.025*APINP2 # 1.19E-12 @ -490.;\n LIM + NO3 = 0.945*LIMNP1 + 0.055*LIMNP2 # 1.22E-11;\n TRPN + NO3 = 0.330*HONIT + 0.670*NO2 + 0.270*PINAL + 0.380*KET \n + 0.210*HCHO + 0.020*ALD + 1.0000*DELTA_N \n + 1.8300*DELTA_C # 3.15E-13 @ 448.; \n HCHO + NO3 = HO2 + CO + HNO3 # 2.0E-12 @ 2440.;\n ACD + NO3 = ACO3 + HNO3 # 1.4E-12 @ 1900.;\n ALD + NO3 = RCO3 + HNO3 # 3.76E-12 @ 1900.;\n MACR + NO3 = 0.680*HCHO + 0.320*MACP + 0.680*XO2 + 0.680*MGLY \n + 0.320*HNO3 + 0.680*NO2 # 3.40E-15; \n UALD + NO3 = HO2 + XO2 + 0.668*CO + 0.332*HCHO + 0.332*ALD \n + ONIT - 0.9960*DELTA_C # 5.02E-13 @ 1076.; \n GLY + NO3 = HO2 + 2.000*CO + HNO3 # 2.90E-12 @ 1900.;\n MGLY + NO3 = ACO3 + CO + HNO3 # 3.76E-12 @ 1900.;\n PHEN + NO3 = 0.152*ASOATJ + 0.339*CHO + 0.850*ADDC + 0.424*ADCN \n + 0.424*HNO3 + 0.1520*DELTA_N - 6.2700*DELTA_C \n # 3.78E-12; \n CSL + NO3 = 0.200*ASOATJ + 0.320*CHO + 0.080*ADDC + 0.400*ADCN \n + 0.400*HNO3 + 0.2000*DELTA_N + 2.0800*DELTA_C \n # 1.06E-12; \n MCT + NO3 = MCTO + HNO3 # 2.01E-10;\n MPAN + NO3 = MACP + NO2 + 1.0000*DELTA_N # 2.2E-14 @ 500.;\n PINALP = HOM # 0.029;\n LIMALP = HOM # 0.024;\n ACO3 + NO2 = PAN # 9.7E-29 ^ -5.6 & 9.3E-12 ^ -1.5;\n PAN = ACO3 + NO2 # 9.00E-29 @ -14000.0 *E;\n RCO3 + NO2 = PPN # 9.7E-29 ^ -5.6 & 9.3E-12 ^ -1.5;\n PPN = RCO3 + NO2 # 9.00E-29 @ -14000.0 *E;\n MACP + NO2 = MPAN # 2.80E-12 @ -181.;\n MPAN = MACP + NO2 # 1.60E+16 @ 13486.;\n MO2 + NO = HO2 + NO2 + HCHO # 2.80E-12 @ -300.;\n ETHP + NO = HO2 + NO2 + ACD # 2.6E-12 @ -365.;\n HC3P + NO = 0.660*HO2 + 0.131*MO2 + 0.048*ETHP + 0.089*XO2 \n + 0.935*NO2 + 0.504*ACD + 0.132*ALD + 0.165*ACT \n + 0.042*MEK + 0.065*ONIT + 0.4460*DELTA_C # 4.0E-12; \n HC5P + NO = 0.200*HO2 + 0.051*MO2 + 0.231*ETHP + 0.235*XO2 \n + 0.864*NO2 + 0.018*HCHO + 0.045*ACD + 0.203*ALD \n + 0.033*MEK + 0.217*ACT + 0.033*KET + 0.272*HKET \n + 0.136*ONIT + 1.4620*DELTA_C # 4.0E-12; \n ETEP + NO = HO2 + NO2 + 1.600*HCHO + 0.200*ALD \n - 0.2000*DELTA_C # 9.0E-12; \n OLTP + NO = 0.780*HO2 + 0.970*NO2 + 0.780*HCHO + 0.012*ACD \n + 0.440*ALD + 0.060*ACT + 0.130*MEK + 0.030*ONIT \n + 0.0560*DELTA_C # 4.00E-12; \n OLIP + NO = 0.830*HO2 + 0.950*NO2 + 0.810*ACD + 0.680*ALD \n + 0.200*ACT + 0.090*KET + 0.020*HKET + 0.050*ONIT \n + 0.0300*DELTA_C # 4.00E-12; \n! MCM-based aromatics with Lu et al. updates\n BENP + NO = 0.000*ONIT + 0.0012*VROCP4OXY2 \n + 0.0008*VROCN1OXY6 + 0.998*NO2 + 0.998*HO2 \n + 0.000*BALD + 0.998*GLY + 0.499*FURANONE \n + 0.2495*DCB2 + 0.2495*DCB3 + 0.0020*DELTA_N \n - 0.5042*DELTA_C # 2.7E-12 @ -360.; \n TOLP + NO = 0.0002*ONIT + 0.0013*VROCP4OXY2 \n + 0.0006*VROCN1OXY6 + 0.998*NO2 + 0.998*HO2 \n + 0.0852*BALD + 0.5477*GLY + 0.3651*MGLY \n + 0.3651*FURANONE + 0.5477*DCB1 + 0.0018*DELTA_N \n - 0.0033*DELTA_C # 2.7E-12 @ -360.; \n XYLP + NO = 0.0001*ONIT + 0.0013*VROCP3OXY2 \n + 0.0006*VROCP0OXY4 + 0.998*NO2 + 0.998*HO2 \n + 0.0481*BALD + 0.7029*GLY + 0.247*MGLY \n + 0.3515*FURANONE + 0.5984*DCB2 + 0.0019*DELTA_N \n + 0.4994*DELTA_C # 2.7E-12 @ -360.; \n EBZP + NO = 0.0002*ONIT + 0.0013*VROCP3OXY2 \n + 0.0006*VROCP0OXY4 + 0.998*NO2 + 0.998*HO2 \n + 0.0852*BALD + 0.5477*GLY + 0.3651*MGLY \n + 0.4564*FURANONE + 0.4564*DCB2 + 0.0018*DELTA_N \n + 0.6278*DELTA_C # 2.7E-12 @ -360.; \n APIP1 + NO = 0.237*TRPN + 0.763*HO2 + 0.763*NO2 + 0.195*PINAL \n + 0.284*ALD + 0.0865*ACT + 0.1285*LIMAL + 0.308*HCHO \n + 0.0715*OPB + 0.084*KET + 1.8405*DELTA_C \n # 2.7E-12 @ -360.; \n APIP2 + NO = 0.820*HO + 0.820*NO2 + HOM + 0.1800*DELTA_N \n # 4.0E-12; \n APINP1 + NO = 1.6955*NO2 + 0.2345*TRPN + 0.070*ONIT \n + 0.6045*PINAL + 0.154*ALD + 0.007*KET + 0.007*HCHO \n + 0.1645*HO2 + 0.8260*DELTA_C # 2.7E-12 @ -360.; \n APINP2 + NO = 0.820*NO2 + 0.820*HO + HOM + 1.1800*DELTA_N \n # 4.0E-12; \n LIMP1 + NO = 0.230*TRPN + 0.770*NO2 + 0.770*LIMAL + 0.770*HO2 \n + 0.430*HCHO - 0.4300*DELTA_C # 2.7E-12 @ -360.; \n LIMP2 + NO = 0.770*HO + 0.770*NO2 + HOM + 0.2300*DELTA_N \n # 4.0E-12; \n LIMNP1 + NO = 0.570*TRPN + 0.070*ONIT + 1.360*NO2 + 0.430*LIMAL \n + 0.500*HO2 - 0.0000*DELTA_N - 0.2800*DELTA_C \n # 2.7E-12 @ -360.; \n LIMNP2 + NO = 0.770*NO2 + 0.770*HO + HOM + 1.2300*DELTA_N \n # 4.0E-12; \n PINALP + NO = 0.360*TRPN + 0.640*HOM + 0.640*NO2 \n # 2.7E-12 @ -360.; \n LIMALP + NO = 0.640*TRPN + 0.360*NO2 + 0.360*HO2 + 0.360*HCHO \n + 0.360*PAA + 2.5200*DELTA_C # 2.7E-12 @ -360.; \n ACO3 + NO = MO2 + NO2 + 1.0000*DELTA_C # 8.1E-12 @ -270.;\n RCO3 + NO = ETHP + NO2 + 1.0000*DELTA_C # 8.1E-12 @ -270.;\n ACTP + NO = ACO3 + NO2 + HCHO # 2.9E-12 @ -300.;\n MEKP + NO = 0.670*HO2 + NO2 + 0.330*HCHO + 0.670*DCB1 \n + 0.3200*DELTA_C # 4.0E-12; \n KETP + NO = 0.770*HO2 + 0.230*ACO3 + 0.160*XO2 + NO2 + 0.460*ALD \n + 0.540*MGLY + 1.5400*DELTA_C # 4.0E-12; \n MACP + NO = 0.650*MO2 + 0.350*ACO3 + NO2 + 0.650*CO \n + 0.650*HCHO + 1.3500*DELTA_C # 2.54E-12 @ -360.; \n MCP + NO = NO2 + 0.500*HO2 + 0.500*HCHO + HKET \n + 0.5000*DELTA_C # 2.54E-12 @ -360.; \n MVKP + NO = 0.300*HO2 + 0.700*ACO3 + 0.700*XO2 + NO2 \n + 0.300*HCHO + 0.700*ALD + 0.300*MGLY \n - 0.7000*DELTA_C # 2.54E-12 @ -360.; \n UALP + NO = HO2 + NO2 + 0.610*CO + 0.030*HCHO + 0.270*ALD \n + 0.180*GLY + 0.700*KET + 0.210*MGLY \n - 0.9400*DELTA_C # 2.54E-12 @ -360.; \n BALP + NO = BAL1 + NO2 # 4.0E-12;\n BAL1 + NO = BAL2 + NO2 + 1.0000*DELTA_C # 4.0E-12;\n ADDC + NO = HO2 + NO2 + 0.320*HKET + 0.680*GLY + 0.680*OP2 \n + 3.3200*DELTA_C # 2.7E-12 @ -360.; \n MCTP + NO = MCTO + NO2 # 2.7E-12 @ -360.;\n ORAP + NO = NO2 + GLY + HO2 # 4.0E-12;\n OLNN + NO = NO2 + HO2 + ONIT - 1.0000*DELTA_C # 4.0E-12;\n OLND + NO = 2.000*NO2 + 0.287*HCHO + 1.240*ALD + 0.464*KET \n - 3.3270*DELTA_C # 4.0E-12; \n ADCN + NO = 2.000*NO2 + GLY + OP2 + 2.0000*DELTA_C \n # 2.7E-12 @ -360.; \n XO2 + NO = NO2 # 4.0E-12;\n BAL2 + NO2 = ONIT + 2.0000*DELTA_C # 2.0E-11;\n CHO + NO2 = ONIT + 4.0000*DELTA_C # 2.0E-11;\n MCTO + NO2 = ONIT + 3.0000*DELTA_C # 2.08E-12;\n MO2 + HO2 = OP1 # 4.1E-13 @ -750.;\n ETHP + HO2 = OP2 # 7.5E-13 @ -700.;\n HC3P + HO2 = OP2 + 1.0000*DELTA_C # 1.66E-13 @ -1300.;\n HC5P + HO2 = OP2 + 3.0000*DELTA_C # 1.66E-13 @ -1300.;\n ETEP + HO2 = OP2 # 1.90E-13 @ -1300.;\n OLTP + HO2 = OP2 + 1.0000*DELTA_C # 1.66E-13 @ -1300.;\n OLIP + HO2 = OP2 + 3.0000*DELTA_C # 1.66E-13 @ -1300.;\n! MCM-based aromatics\n BENP + HO2 = 0.6021*OP2 + 0.3979*VROCN1OXY6 \n + 1.6126*DELTA_C # 2.91E-13 @ -1300.; \n TOLP + HO2 = 0.7195*OP2 + 0.2805*VROCN1OXY6 \n + 3.3170*DELTA_C # 2.91E-13 @ -1300.; \n XYLP + HO2 = 0.0482*OP2 + 0.6747*OP3 + 0.2771*VROCP0OXY4 \n - 0.2650*DELTA_C # 2.91E-13 @ -1300.; \n EBZP + HO2 = 0.0854*OP2 + 0.6341*OP3 + 0.2805*VROCP0OXY4 \n - 0.0486*DELTA_C # 2.91E-13 @ -1300.; \n APIP1 + HO2 = 0.039*ACT + 0.039*LIMAL + 0.0625*HCHO + 0.762*OPB \n + 0.3225*HO2 + 0.1885*PINAL + 0.238*HO + 0.0105*KET \n - 0.1270*DELTA_C # 2.6E-13 @ -1300.; \n APIP2 + HO2 = HOM # 1.5E-11;\n APINP1 + HO2 = 0.461*TRPN + 0.455*PINAL + 0.539*NO2 + 0.6195*HO \n + 0.077*ALD + 0.007*KET + 0.007*HCHO \n + 0.5670*DELTA_C # 2.71E-13 @ -1300.; \n APINP2 + HO2 = HOM + 1.0000*DELTA_N # 1.5E-11;\n LIMP1 + HO2 = 0.900*OPB + 0.100*LIMAL + 0.100*HO + 0.100*HO2 \n + 0.060*HCHO - 0.0600*DELTA_C # 2.6E-13 @ -1300.; \n LIMP2 + HO2 = HOM # 1.5E-11;\n LIMNP1 + HO2 = 0.770*TRPN + 0.500*HO + 0.230*LIMAL + 0.230*NO2 \n + 0.270*HO2 # 2.71E-13 @ -1300.; \n LIMNP2 + HO2 = HOM + 1.0000*DELTA_N # 1.5E-11;\n PINALP + HO2 = 0.750*OPB + 0.250*HO + 0.250*HOM \n # 2.71E-13 @ -1300.; \n LIMALP + HO2 = 0.900*OPB + 0.100*HO + 0.100*HO2 + 0.100*HCHO \n + 0.100*PAA + 0.7000*DELTA_C # 2.73E-13 @ -1300.; \n ACO3 + HO2 = 0.440*HO + 0.440*MO2 + 0.150*ORA2 + 0.410*PAA \n + 0.4400*DELTA_C # 4.3E-13 @ -1040.; \n RCO3 + HO2 = 0.440*HO + 0.440*ETHP + 0.150*ORA2 + 0.410*PAA \n + 1.0000*DELTA_C # 4.3E-13 @ -1040.; \n ACTP + HO2 = 0.150*HO + 0.150*ACO3 + 0.150*HCHO + 0.850*OP2 \n + 0.8500*DELTA_C # 1.15E-13 @ -1300.; \n MEKP + HO2 = OP2 + 2.0000*DELTA_C # 1.15E-13 @ -1300.;\n KETP + HO2 = OP2 + 3.0000*DELTA_C # 1.15E-13 @ -1300.;\n MACP + HO2 = MAHP # 1.82E-13 @ -1300.;\n MCP + HO2 = MAHP # 1.82E-13 @ -1300.;\n MVKP + HO2 = OP2 + 2.0000*DELTA_C # 2.91E-13 @ -1300.;\n UALP + HO2 = OP2 + 3.0000*DELTA_C # 2.91E-13 @ -1300.;\n ADDC + HO2 = OP2 + 5.0000*DELTA_C # 3.75E-13 @ -980.;\n CHO + HO2 = CSL - 1.0000*DELTA_C # 1.00E-11;\n MCTP + HO2 = OP2 + 5.0000*DELTA_C # 3.75E-13 @ -980.;\n ORAP + HO2 = OP2 # 1.15E-13 @ -1300.;\n OLNN + HO2 = ONIT - 1.0000*DELTA_C # 1.66E-13 @ -1300.;\n OLND + HO2 = ONIT - 1.0000*DELTA_C # 1.66E-13 @ -1300.;\n ADCN + HO2 = OP2 + 1.0000*DELTA_N + 4.0000*DELTA_C \n # 3.75E-13 @ -980.; \n XO2 + HO2 = OP2 - 2.0000*DELTA_C # 1.66E-13 @ -1300.;\n MO2 + MO2 = 0.740*HO2 + 1.370*HCHO + 0.630*MOH # 9.5E-14 @ -390.;\n ETHP + MO2 = HO2 + 0.750*HCHO + 0.750*ACD + 0.250*MOH \n + 0.250*EOH # 1.18E-13 @ -158.; \n HC3P + MO2 = 0.894*HO2 + 0.080*MO2 + 0.026*ETHP + 0.026*XO2 \n + 0.827*HCHO + 0.198*ALD + 0.497*KET + 0.050*GLY \n + 0.250*MOH + 0.250*ROH - 1.1380*DELTA_C \n # 9.46E-14 @ -431.; \n HC5P + MO2 = 0.842*HO2 + 0.018*MO2 + 0.140*ETHP + 0.191*XO2 \n + 0.777*HCHO + 0.251*ALD + 0.618*KET + 0.250*MOH \n + 0.250*ROH + 0.0820*DELTA_C # 1.0E-13 @ -467.; \n ETEP + MO2 = HO2 + 1.950*HCHO + 0.150*ALD + 0.250*MOH \n + 0.250*ETEG - 0.1500*DELTA_C # 1.71E-13 @ -708.; \n OLTP + MO2 = HO2 + 1.500*HCHO + 0.705*ALD + 0.045*KET \n + 0.250*MOH + 0.250*ROH - 0.8400*DELTA_C \n # 1.46E-13 @ -708.; \n OLIP + MO2 = HO2 + 0.750*HCHO + 1.280*ALD + 0.218*KET \n + 0.250*MOH + 0.250*ROH - 0.6800*DELTA_C \n # 9.18E-14 @ -708.; \n! MCM-based aromatics\n BENP + MO2 = 0.680*HCHO + 1.370*HO2 + 0.320*MOH + 0.000*BALD \n + GLY + 0.500*FURANONE + 0.250*DCB2 + 0.250*DCB3 \n - 0.5000*DELTA_C # 3.56E-14 @ -708.; \n TOLP + MO2 = 0.680*HCHO + 1.2846*HO2 + 0.320*MOH \n + 0.0854*BALD + 0.5488*GLY + 0.3659*MGLY \n + 0.3659*FURANONE + 0.5488*DCB1 \n - 0.0007*DELTA_C # 3.56E-14 @ -708.; \n XYLP + MO2 = 0.680*HCHO + 1.3218*HO2 + 0.320*MOH \n + 0.0482*BALD + 0.7043*GLY + 0.2475*MGLY \n + 0.3522*FURANONE + 0.5996*DCB2 \n + 0.5051*DELTA_C # 3.56E-14 @ -708.; \n EBZP + MO2 = 0.680*HCHO + 1.2846*HO2 + 0.320*MOH \n + 0.0854*BALD + 0.5488*GLY + 0.3659*MGLY \n + 0.4573*FURANONE + 0.4573*DCB2 \n + 0.6339*DELTA_C # 3.56E-14 @ -708.; \n\n ISOP + MO2 = HO2 + 1.310*HCHO + 0.159*MACR + 0.250*MVK \n + 0.250*MOH + 0.250*ROH + 0.023*ALD + 0.018*GLY \n + 0.016*HKET + 1.9010*DELTA_C # 3.4E-14 @ -221.; \n APIP1 + MO2 = 1.0295*HCHO + 0.2205*LIMAL + 0.273*PINAL \n + 0.2385*ALD + 0.0845*OPB + 0.1105*MOH + 0.1835*KET \n + 0.067*ACT + 1.279*HO2 + 2.2460*DELTA_C # 2.00E-12; \n APIP2 + MO2 = HO2 + 0.750*HCHO + 0.250*MOH + HOM # 1.00E-10;\n APINP1 + MO2 = 0.341*TRPN + 0.964*HCHO + 0.043*MOH + 0.918*HO2 \n + 0.659*NO2 + 0.533*PINAL + 0.007*KET + 0.119*ALD \n + 0.8610*DELTA_C # 2.00E-12; \n APINP2 + MO2 = 0.750*HO2 + 0.750*NO2 + 0.250*MOH + 0.750*HCHO \n + HOM + 0.2500*DELTA_N # 1.00E-10; \n LIMP1 + MO2 = 0.250*MOH + LIMAL + 1.030*HCHO + HO2 \n - 0.2800*DELTA_C # 2.00E-12; \n LIMP2 + MO2 = HO2 + 0.750*HCHO + 0.250*MOH + HOM # 1.00E-10;\n LIMNP1 + MO2 = 0.690*TRPN + 0.910*HCHO + 0.090*MOH + 1.010*HO2 \n + 0.310*LIMAL + 0.310*NO2 # 2.0E-12; \n LIMNP2 + MO2 = 0.750*HO2 + 0.750*HCHO + 0.750*NO2 + 0.250*MOH \n + HOM + 0.2500*DELTA_N # 1.00E-10; \n ACO3 + MO2 = 0.900*HO2 + 0.900*MO2 + HCHO + 0.100*ORA2 \n + 0.9000*DELTA_C # 2.0E-11 @ -500.; \n RCO3 + MO2 = 0.900*HO2 + 0.900*MO2 + HCHO + 0.100*ORA2 \n + 1.9000*DELTA_C # 2.0E-11 @ -500.; \n ACTP + MO2 = 0.500*HO2 + 0.500*ACO3 + 1.500*HCHO + 0.250*MOH \n + 0.250*ROH + 0.125*ORA2 + 0.2500*DELTA_C \n # 7.5E-13 @ -500.; \n MEKP + MO2 = 0.834*HO2 + HCHO + 0.334*DCB1 + 0.250*MOH \n + 0.250*ROH + 1.3300*DELTA_C # 6.91E-13 @ -508.; \n KETP + MO2 = HO2 + 0.750*HCHO + 0.500*DCB1 + 0.250*MOH \n + 0.250*ROH + 1.7500*DELTA_C # 6.91E-13 @ -508.; \n MACP + MO2 = 0.500*HO2 + 0.269*ACO3 + 0.500*CO + 1.660*HCHO \n + 0.067*ORA2 + 0.250*MO2 + 0.250*MOH + 0.250*ROH \n + 0.9180*DELTA_C # 3.4E-14 @ -221.; \n MCP + MO2 = NO2 + HO2 + 1.500*HCHO + 0.500*HKET + 0.250*MOH \n + 0.250*ROH - 1.0000*DELTA_N + 1.0000*DELTA_C \n # 3.4E-14 @ -221.; \n MVKP + MO2 = HO2 + 1.160*ACO3 + 1.160*XO2 + 1.500*HCHO \n + 1.750*ALD + 0.500*MGLY + 0.250*MOH + 0.250*ROH \n + 0.292*ORA2 - 7.1540*DELTA_C # 8.37E-14; \n UALP + MO2 = HO2 + 0.305*CO + 0.773*HCHO + 0.203*ALD + 0.525*KET \n + 0.135*GLY + 0.105*MGLY + 0.250*MOH + 0.250*ROH \n + 0.1030*DELTA_C # 3.4E-14 @ -221.; \n BALP + MO2 = HO2 + BAL1 + HCHO # 3.56E-14 @ -708.;\n BAL1 + MO2 = HO2 + BAL2 + HCHO + 1.0000*DELTA_C \n # 3.56E-14 @ -708.; \n ADDC + MO2 = 2.000*HO2 + HCHO + 0.320*HKET + 0.680*GLY \n + 0.680*OP2 + 3.3200*DELTA_C # 3.56E-14 @ -708.; \n MCTP + MO2 = HO2 + MCTO + HCHO # 3.56E-14 @ -708.;\n ORAP + MO2 = HCHO + HO2 + GLY # 7.50E-13 @ -500.;\n OLNN + MO2 = 2.000*HO2 + HCHO + ONIT - 1.0000*DELTA_C \n # 1.6E-13 @ -708.; \n OLND + MO2 = 0.500*HO2 + 0.500*NO2 + 0.965*HCHO + 0.930*ALD \n + 0.348*KET + 0.250*MOH + 0.250*ROH + 0.500*ONIT \n - 4.4950*DELTA_C # 9.68E-14 @ -708.; \n ADCN + MO2 = HO2 + 0.700*NO2 + HCHO + 0.700*GLY + 0.700*OP2 \n + 0.300*ONIT + 2.0000*DELTA_C # 3.56E-14; \n XO2 + MO2 = HO2 + HCHO # 5.99E-15 @ -1510.;\n ETHP + ACO3 = 0.500*HO2 + 0.500*MO2 + ACD + 0.500*ORA2 \n + 0.5000*DELTA_C # 1.03E-12 @ -211.; \n HC3P + ACO3 = 0.394*HO2 + 0.580*MO2 + 0.026*ETHP + 0.026*XO2 \n + 0.130*HCHO + 0.273*ALD + 0.662*KET + 0.067*GLY \n + 0.500*ORA2 - 1.0250*DELTA_C # 6.9E-13 @ -460.; \n HC5P + ACO3 = 0.342*HO2 + 0.518*MO2 + 0.140*ETHP + 0.191*XO2 \n + 0.042*HCHO + 0.381*ALD + 0.824*KET + 0.500*ORA2 \n - 0.1030*DELTA_C # 5.59E-13 @ -522.; \n ETEP + ACO3 = 0.500*HO2 + 0.500*MO2 + 1.600*HCHO + 0.200*ALD \n + 0.500*ORA2 + 0.3000*DELTA_C # 9.48E-13 @ -765.; \n OLTP + ACO3 = 0.500*HO2 + 0.500*MO2 + HCHO + 0.940*ALD \n + 0.060*KET + 0.500*ORA2 - 0.6200*DELTA_C \n # 8.11E-13 @ -765.; \n OLIP + ACO3 = 0.500*HO2 + 0.500*MO2 + 1.710*ALD + 0.290*KET \n + 0.500*ORA2 - 1.0800*DELTA_C # 5.09E-13 @ -765.; \n! MCM-based aromatics\n BENP + ACO3 = 0.700*MO2 + HO2 + 0.300*ORA2 + 0.000*BALD \n + GLY + 0.500*FURANONE + 0.250*DCB2 \n + 0.250*DCB3 + 0.2000*DELTA_C # 7.4E-13 @ -765.; \n TOLP + ACO3 = 0.700*MO2 + 0.9146*HO2 + 0.300*ORA2 \n + 0.0854*BALD + 0.5488*GLY + 0.3659*MGLY \n + 0.3659*FURANONE + 0.5488*DCB1 \n + 0.6993*DELTA_C # 7.4E-13 @ -765.; \n XYLP + ACO3 = 0.700*MO2 + 0.9518*HO2 + 0.300*ORA2 \n + 0.0482*BALD + 0.7043*GLY + 0.2475*MGLY \n + 0.3522*FURANONE + 0.5996*DCB2 \n + 1.2051*DELTA_C # 7.4E-13 @ -765.; \n EBZP + ACO3 = 0.700*MO2 + 0.9146*HO2 + 0.300*ORA2 \n + 0.0854*BALD + 0.5488*GLY + 0.3659*MGLY \n + 0.4573*FURANONE + 0.4573*DCB2 \n + 1.3339*DELTA_C # 7.4E-13 @ -765.; \n\n\n ISOP + ACO3 = 0.500*HO2 + 0.500*MO2 + 1.048*HCHO + 0.219*MACR \n + 0.305*MVK + 0.500*ORA2 + 2.3560*DELTA_C \n # 8.4E-14 @ -221.; \n APIP1 + ACO3 = 0.2535*PINAL + 0.371*ALD + 0.091*OPB + 0.1165*ACT \n + 0.1725*LIMAL + 0.403*HCHO + HO2 + MO2 \n + 0.112*KET + 3.4045*DELTA_C # 2.0E-12 @ -500.; \n APIP2 + ACO3 = 0.500*HO + 0.500*MO2 + 0.500*ORA2 + HOM \n + 0.5000*DELTA_C # 1.0E-10; \n APINP1 + ACO3 = 0.825*NO2 + 0.650*PINAL + MO2 + 0.175*TRPN \n + 0.168*ALD + 0.007*KET + 0.007*HCHO + 0.175*HO2 \n + 2.2040*DELTA_C # 2.0E-12 @ -500.; \n APINP2 + ACO3 = 0.500*NO2 + 0.500*MO2 + 0.500*ORA2 + HOM \n + 0.5000*DELTA_N + 0.5000*DELTA_C # 1.0E-10; \n LIMP1 + ACO3 = LIMAL + 0.560*HCHO + HO2 + MO2 + 0.4400*DELTA_C \n # 2.0E-12 @ -500.; \n LIMP2 + ACO3 = 0.500*HO + 0.500*MO2 + 0.500*ORA2 + HOM \n + 0.5000*DELTA_C # 1.0E-10; \n LIMNP1 + ACO3 = MO2 + 0.460*NO2 + 0.460*LIMAL + 0.540*TRPN \n + 0.540*HO2 + 1.0000*DELTA_C # 2.0E-12 @ -500.; \n LIMNP2 + ACO3 = 0.500*MO2 + 0.500*NO2 + 0.500*ORA2 + HOM \n + 0.5000*DELTA_N + 0.5000*DELTA_C # 1.0E-10; \n ACO3 + ACO3 = 2.000*MO2 + 2.0000*DELTA_C # 2.5E-12 @ -500.;\n RCO3 + ACO3 = MO2 + ETHP + 2.0000*DELTA_C # 2.5E-12 @ -500.;\n ACTP + ACO3 = 0.500*MO2 + 0.500*ACO3 + HCHO + 0.750*ORA2 \n + 1.0000*DELTA_C # 7.51E-13 @ -565.; \n MEKP + ACO3 = 0.330*HO2 + 0.500*MO2 + 0.330*HCHO + 0.334*DCB1 \n + 0.500*ORA2 + 2.5000*DELTA_C # 7.51E-13 @ -565.; \n KETP + ACO3 = 0.500*HO2 + 0.500*MO2 + 0.500*DCB1 + 0.500*ORA2 \n + 3.0000*DELTA_C # 7.51E-13 @ -565.; \n MACP + ACO3 = 0.635*ORA2 + 0.500*MO2 + 0.269*ACO3 + 0.500*CO \n + HCHO + 2.1920*DELTA_C # 8.4E-14 @ -221.; \n MCP + ACO3 = NO2 + 0.500*HO2 + HCHO + 0.500*HKET + 0.500*MO2 \n + 0.500*ORA2 - 1.0000*DELTA_N + 2.0000*DELTA_C \n # 8.4E-14 @ -221.; \n MVKP + ACO3 = 0.500*HO2 + 0.500*MO2 + 1.160*ACO3 + 1.160*XO2 \n + HCHO + 2.300*ALD + 0.500*MGLY + 1.083*ORA2 \n - 8.3860*DELTA_C # 1.68E-12 @ -500.; \n UALP + ACO3 = 0.500*HO2 + 0.500*MO2 + 0.500*CO + 0.030*HCHO \n + 0.270*ALD + 0.700*KET + 0.180*GLY + 0.105*MGLY \n + 0.500*ORA2 - 0.0150*DELTA_C # 1.68E-12 @ -500.; \n BALP + ACO3 = MO2 + BAL1 + 1.0000*DELTA_C # 7.4E-13 @ -765.;\n BAL1 + ACO3 = MO2 + BAL2 + 2.0000*DELTA_C # 7.4E-13 @ -765.;\n ADDC + ACO3 = 2.000*HO2 + MO2 + 0.320*HKET + 0.680*GLY \n + 0.680*OP2 + 4.3200*DELTA_C # 7.4E-13 @ -708.; \n MCTP + ACO3 = HO2 + MO2 + MCTO + 1.0000*DELTA_C \n # 7.4E-13 @ -708.; \n ORAP + ACO3 = MO2 + GLY + 1.0000*DELTA_C # 7.51E-13 @ -565.;\n OLNN + ACO3 = HO2 + MO2 + ONIT # 8.85E-13 @ -765.;\n OLND + ACO3 = 0.500*MO2 + NO2 + 0.287*HCHO + 1.240*ALD \n + 0.464*KET + 0.500*ORA2 - 2.8270*DELTA_C \n # 5.37E-13 @ -765.; \n ADCN + ACO3 = HO2 + MO2 + 0.700*NO2 + 0.700*GLY + 0.700*OP2 \n + 0.300*ONIT + 3.0000*DELTA_C # 7.4E-13 @ -708.; \n XO2 + ACO3 = MO2 + 1.0000*DELTA_C # 3.4E-14 @ -1560.;\n RCO3 + RCO3 = 2.000*ETHP + 2.0000*DELTA_C # 2.50E-12 @ -500.0;\n MO2 + NO3 = HO2 + HCHO + NO2 # 1.20E-12;\n ETHP + NO3 = HO2 + NO2 + ACD # 1.2E-12;\n HC3P + NO3 = 0.254*HO2 + 0.140*MO2 + 0.092*XO2 + 0.503*ETHP \n + NO2 + 0.519*ACD + 0.147*ALD + 0.075*MEK \n + 0.095*ACT - 0.2100*DELTA_C # 1.20E-12; \n HC5P + NO3 = 0.488*HO2 + 0.055*MO2 + 0.280*ETHP + 0.485*XO2 \n + NO2 + 0.024*HCHO + 0.241*ALD + 0.060*KET \n + 0.063*MEK + 0.247*ACT + 0.048*ACD + 0.275*HKET \n + 1.4240*DELTA_C # 1.20E-12; \n ETEP + NO3 = HO2 + NO2 + 1.600*HCHO + 0.200*ALD \n - 0.2000*DELTA_C # 1.2E-12; \n OLTP + NO3 = 0.470*ALD + 0.790*HCHO + 0.790*HO2 + NO2 \n + 0.180*MEK + 0.020*ACD + 0.090*ACT \n - 0.2300*DELTA_C # 1.20E-12; \n OLIP + NO3 = 0.860*HO2 + 0.720*ALD + 0.110*KET + NO2 + 0.200*ACT \n + 0.850*ACD + 0.040*HKET - 0.1300*DELTA_C # 1.20E-12; \n! MCM-based aromatics\n BENP + NO3 = NO2 + HO2 + 0.000*BALD + GLY + 0.500*FURANONE \n + 0.250*DCB2 + 0.250*DCB3 - 0.5000*DELTA_C \n # 2.3E-12; \n TOLP + NO3 = NO2 + 0.9146*HO2 + 0.0854*BALD + 0.5488*GLY \n + 0.3659*MGLY + 0.3659*FURANONE + 0.5488*DCB1 \n - 0.0007*DELTA_C # 2.3E-12; \n XYLP + NO3 = NO2 + 0.9518*HO2 + 0.0482*BALD + 0.7043*GLY \n + 0.2475*MGLY + 0.3522*FURANONE + 0.5996*DCB2 \n + 0.5051*DELTA_C # 2.3E-12; \n EBZP + NO3 = NO2 + 0.9146*HO2 + 0.0854*BALD + 0.5488*GLY \n + 0.3659*MGLY + 0.4573*FURANONE + 0.4573*DCB2 \n + 0.6339*DELTA_C # 2.3E-12; \n\n\n ISOP + NO3 = HO2 + NO2 + 0.750*HCHO + 0.318*MACR + 0.500*MVK \n + 0.024*GLY + 0.033*HKET + 0.031*ALD \n + 0.7380*DELTA_C # 1.2E-12; \n APIP1 + NO3 = NO2 + HO2 + 0.2535*PINAL + 0.371*ALD + 0.1165*ACT \n + 0.1725*LIMAL + 0.403*HCHO + 0.091*OPB + 0.112*KET \n + 2.4045*DELTA_C # 2.3E-12; \n LIMP1 + NO3 = HO2 + NO2 + LIMAL + 0.560*HCHO - 0.5600*DELTA_C \n # 2.3E-12; \n APINP1 + NO3 = 1.825*NO2 + 0.650*PINAL + 0.175*TRPN + 0.168*ALD \n + 0.007*KET + 0.007*HCHO + 0.175*HO2 \n + 1.2040*DELTA_C # 2.3E-12; \n LIMNP1 + NO3 = 1.460*NO2 + 0.460*LIMAL + 0.540*TRPN \n + 0.540*HO2 # 2.3E-12; \n ACO3 + NO3 = MO2 + NO2 + 1.0000*DELTA_C # 4.0E-12;\n RCO3 + NO3 = ETHP + NO2 + 1.0000*DELTA_C # 4.0E-12;\n ACTP + NO3 = ACO3 + NO2 + HCHO # 1.2E-12;\n MEKP + NO3 = 0.670*HO2 + NO2 + 0.330*HCHO + 0.670*DCB1 \n + 0.3200*DELTA_C # 1.2E-12; \n KETP + NO3 = HO2 + NO2 + DCB1 # 1.2E-12;\n MACP + NO3 = HCHO + 0.538*ACO3 + CO + NO2 + 0.9240*DELTA_C \n # 1.2E-12; \n MCP + NO3 = NO2 + HO2 + HCHO + HKET # 1.2E-12;\n MVKP + NO3 = 0.300*HO2 + 0.700*ACO3 + 0.700*XO2 + NO2 \n + 0.300*HCHO + 0.700*ALD + 0.300*MGLY \n - 0.7000*DELTA_C # 2.5E-12; \n UALP + NO3 = HO2 + NO2 + 0.610*CO + 0.030*HCHO + 0.270*ALD \n + 0.700*KET + 0.180*GLY + 0.210*MGLY \n - 0.9400*DELTA_C # 2.5E-12; \n BALP + NO3 = BAL1 + NO2 # 2.5E-12;\n BAL1 + NO3 = BAL2 + NO2 + 1.0000*DELTA_C # 2.5E-12;\n ADDC + NO3 = HO2 + NO2 + 0.320*HKET + 0.680*GLY + 0.680*OP2 \n + 3.3200*DELTA_C # 1.2E-12; \n MCTP + NO3 = NO2 + MCTO # 1.2E-12;\n ORAP + NO3 = NO2 + GLY + HO2 # 1.2E-12;\n OLNN + NO3 = HO2 + NO2 + ONIT - 1.0000*DELTA_C # 1.2E-12;\n OLND + NO3 = 2.000*NO2 + 0.287*HCHO + 1.240*ALD + 0.464*KET \n - 3.3270*DELTA_C # 1.2E-12; \n ADCN + NO3 = 2.000*NO2 + GLY + OP2 + 2.0000*DELTA_C # 1.2E-12;\n OLNN + OLNN = HO2 + 2.000*ONIT - 2.0000*DELTA_C \n # 7.0E-14 @ -1000.; \n OLNN + OLND = 0.500*HO2 + 0.500*NO2 + 0.202*HCHO + 0.640*ALD \n + 0.149*KET + 1.500*ONIT - 2.8670*DELTA_C \n # 4.25E-14 @ -1000.; \n OLND + OLND = NO2 + 0.504*HCHO + 1.210*ALD + 0.285*KET + ONIT \n - 3.5590*DELTA_C # 2.96E-14 @ -1000.; \n XO2 + NO3 = NO2 # 1.2E-12;\n XO2 + RCO3 = ETHP + 1.0000*DELTA_C # 2.5E-12 @ -500.;\n XO2 + XO2 = # 7.13E-17 @ -2950.;\n APIP2 + APIP1 = 0.960*HOM + 0.480*ROH + 0.480*PINAL + 0.480*HO \n + 0.480*HO2 + 0.040*ELHOM + 3.3600*DELTA_C \n #1.00E-10; \n APIP2 + LIMP1 = 0.960*HOM + 0.480*ROH + 0.480*LIMAL + 0.480*HO \n + 0.480*HO2 + 0.040*ELHOM + 3.3600*DELTA_C \n #1.00E-10; \n APIP2 + ISOP = 0.960*HOM + 0.480*ROH + 0.480*HCHO + 0.480*MVK \n + 0.480*HO + 0.480*HO2 + 0.040*ELHOM \n + 0.7600*DELTA_C #1.00E-10; \n LIMP2 + APIP1 = 0.960*HOM + 0.480*ROH + 0.480*PINAL + 0.480*HO \n + 0.480*HO2 + 0.040*ELHOM + 3.3600*DELTA_C \n #1.00E-10; \n LIMP2 + LIMP1 = 0.960*HOM + 0.480*ROH + 0.480*LIMAL + 0.480*HO \n + 0.480*HO2 + 0.040*ELHOM + 3.3600*DELTA_C \n #1.00E-10; \n LIMP2 + ISOP = 0.960*HOM + 0.480*ROH + 0.480*HCHO + 0.480*MVK \n + 0.480*HO + 0.480*HO2 + 0.040*ELHOM \n + 0.7600*DELTA_C #1.00E-10; \n APINP2 + APIP1 = 0.960*HOM + 0.480*ROH + 0.480*PINAL \n + 0.480*NO2 + 0.480*HO2 + 0.040*ELHOM \n + 0.5200*DELTA_N + 3.3600*DELTA_C #1.00E-10; \n APINP2 + LIMP1 = 0.960*HOM + 0.480*ROH + 0.480*LIMAL \n + 0.480*NO2 + 0.480*HO2 + 0.040*ELHOM \n + 0.5200*DELTA_N + 3.3600*DELTA_C #1.00E-10; \n APINP2 + ISOP = 0.960*HOM + 0.480*ROH + 0.480*HCHO + 0.480*MVK \n + 0.480*NO2 + 0.480*HO2 + 0.040*ELHOM \n + 0.5200*DELTA_N + 0.7600*DELTA_C #1.00E-10; \n LIMNP2 + APIP1 = 0.960*HOM + 0.480*ROH + 0.480*PINAL \n + 0.480*NO2 + 0.480*HO2 + 0.040*ELHOM \n + 0.5200*DELTA_N + 3.3600*DELTA_C #1.00E-10; \n LIMNP2 + LIMP1 = 0.960*HOM + 0.480*ROH + 0.480*LIMAL \n + 0.480*NO2 + 0.480*HO2 + 0.040*ELHOM \n + 0.5200*DELTA_N + 3.3600*DELTA_C #1.00E-10; \n LIMNP2 + ISOP = 0.960*HOM + 0.480*ROH + 0.480*HCHO + 0.480*MVK \n + 0.480*NO2 + 0.480*HO2 + 0.040*ELHOM \n + 0.5200*DELTA_N + 0.7600*DELTA_C #1.00E-10; \n\n! SOA related reactions\n IEPOX + HO = HO + 5.0000*DELTA_C # 5.78E-11@400;\n\n! VROCIOXY added with behavior like ETHP\n! 12.0% by mass (14.8% by mole) SOA yield added\n! kOH set to emission weighted value\n VROCIOXY + HO = 0.852*ETHP + 0.149*ASOATJ + 5.0000*DELTA_SI \n + 7.2529*DELTA_C # 6.89E-12; \n! assume SLOWROC, which has effectively 2.1C, makes ethane-like RO2 with SLOWROC emission weighted kOH\n SLOWROC + HO = ETHP + 0.00101*ASOATJ + 1.0000*DELTA_N \n - 1.0070*DELTA_C # 6.55E-14; \n\n! HAP chemistry\n! ELD uncommented ACRO photolysis 11/18/21, kept photolysis rate constant that was already here\n ACRO + HO = 0.570*MACP + 0.430*MCP - 1.0000*DELTA_C \n # 8.E-12@-380; \n ACRO + O3 = 0.840*CO + 0.560*HO2 + 0.280*HO + 0.720*HCHO \n + 0.620*GLY + 0.2000*DELTA_C # 2.9E-19; \n ACRO + NO3 = 0.680*HCHO + 0.320*MACP + 0.680*XO2 + 0.680*MGLY \n + 0.320*HNO3 + 0.680*NO2 - 1.0000*DELTA_C # 3.4E-15; \n! 0.219*CH4 product removed from ACRO due to fixed CH4 conc\n ACRO = CO + 0.477*HO2 + 0.250*ETE + 0.354*ACO3 + 0.204*HO \n + 0.150*HCHO + 0.027*MO2 + 0.6150*DELTA_C # 1.0/; \n! BDE13 from SAPRC18/mechgen with MCM rate constant for T10\n BDE13 + HO = 0.667*BDE13P + 0.333*UALD + 0.333*HO2 \n - 0.3330*DELTA_C # 1.48E-11@-448.; \n BDE13P + NO = 0.968*HO2 + 0.968*NO2 + 0.895*ACRO + 0.895*HCHO \n + 0.072*FURAN + 0.032*ONIT - 0.0680*DELTA_C \n # 9.05E-12; \n BDE13P + NO3 = HO2 + NO2 + 0.925*ACRO + 0.925*HCHO \n + 0.075*FURAN - 0.0750*DELTA_C #2.3E-12; \n BDE13P + HO2 = OP2 + 2.0000*DELTA_C # 1.61E-11;\n BDE13P + MO2 = 0.320*MOH + 1.143*HCHO + 0.870*HO2 + 0.463*ACRO \n + 0.250*OLT + 0.231*MVK + 0.037*FURAN + 0.019*UALD \n + 0.1940*DELTA_C # 2.39E-12; \n BDE13P + ACO3 = 0.700*MO2 + 0.300*ORA2 + 0.800*HO2 + 0.740*ACRO \n + 0.740*HCHO + 0.185*MVK + 0.060*FURAN \n + 0.015*UALD + 0.6250*DELTA_C # 1.37E-11; \n BDE13 + O3 = 0.620*ACRO + 0.630*CO + 0.420*HO2 + 0.080*HO \n + 0.830*HCHO + 0.170*ETE + 0.3400*DELTA_C \n # 1.34E-14@2283.; \n BDE13 + NO3 = 0.900*OLNN + 0.100*OLND + 0.900*ACRO \n - 1.7000*DELTA_C # 1E-13; \n\n! Furans based on 5 species aggregate using Wang et al. JGR 2021, Schwantes, and Coggon\n! Use RACM2 o-xylene RO2+HO2, RACM2 (same as MCM) RO2+NO rate constants\n! SOA yield taken from Table S1 of Bruns et al. 2016 Sci Rep and mass removed from KET product\n FURAN + HO = 0.490*DCB1 + 0.490*HO2 + 0.510*FURANO2 # 5.01E-11;\n FURANO2 + NO = 0.080*ONIT + 0.920*NO2 + 0.920*FURANONE \n + 0.750*HO2 + 0.170*MO2 + 0.8300*DELTA_C \n # 2.7E-12 @ -360.; \n FURANO2 + HO2 = 0.600*OP2 + 0.400*FURANONE + 0.400*HO \n + 0.320*HO2 + 0.080*MO2 + 2.1200*DELTA_C \n # 3.75E-13 @ -980.; \n FURANONE + HO = 0.650*KET + 0.310*GLY + 0.660*HO2 + 0.340*MO2 \n + 0.430*CO + 0.040*ASOATJ - 0.9200*DELTA_C \n # 4.40E-11; \n FURAN + O3 = 0.020*HO + ALD + 2.0000*DELTA_C # 3.43E-17;\n FURAN + NO3 = NO2 + 0.800*DCB1 + 0.200*DCB3 + 0.2000*DELTA_C \n # 8.99E-12; \n\n\n! PROG based on Coggon et al. and MCM http://mcm.york.ac.uk/browse.htt?species=PROPGLY\n PROG + HO = 0.613*HKET + 0.387*ALD + HO2 #1.20E-11;\n\n! Sesquiterpenes based on MCM b-caryophyllene with autoxidation\n! added to O3 channel following Richters et al. 2016 ES&T\n SESQ + NO3 = SESQNRO2 # 1.9E-11;\n SESQNRO2 + HO2 = VROCP0OXY4 + 1.0000*DELTA_N + 5.0000*DELTA_C \n # 2.84E-13 @ -1300.0; \n SESQNRO2 + NO = VROCP3OXY2 + 2.000*NO2 + 4.0000*DELTA_C \n # 2.70E-12 @ -360.0; \n SESQNRO2 + NO3 = VROCP3OXY2 + 2.000*NO2 + 4.0000*DELTA_C \n # 2.3E-12; \n SESQ + O3 = 0.982*VROCP3OXY2 + 0.018*VROCN2OXY2 \n + 3.8920*DELTA_C # 1.2E-14; \n SESQ + HO = SESQRO2 # 1.97E-10;\n SESQRO2 + HO2 = VROCP0OXY2 + 1.0000*DELTA_C \n # 2.84E-13 @ -1300.0; \n SESQRO2 + NO3 = VROCP3OXY2 + 1.0000*DELTA_N + 4.0000*DELTA_C \n # 2.3E-12; \n SESQRO2 + NO = 0.247*VROCP1OXY3 + 0.753*VROCP3OXY2 + 0.753*NO2 \n + 0.2470*DELTA_N + 4.0000*DELTA_C \n # 2.70E-12 @ -360.0; \n\n! GLY and MGLY uptake\n GLY = AGLYJ - 4.0000*DELTA_C # 1.0~;\n MGLY = AGLYJ - 3.0000*DELTA_C # 1.0~;\n\n! heteorogeneous reactions from hetchem and poaaging routines version 5.0.2\n\n N2O5 = 2.000*HNO3 # 1.0~;\n\n NO2 = 0.500*HONO + 0.500*HNO3 # 1.0~;\n\n! hetorogeneous uptake of HO2\n HO2 = # 1.0~;\n\n! heterogeneous uptake of NO3\n NO3 = HNO3 # 1.0~;\n\n! Simplified ozone loss from oceanic halogens excluding chlorine\n\n O3 = %H # 6.7006E-11@-10.7435 & 3.4153E-08@0.6713 & 2.0E-6;\n IEPOX = IEPOXP + 5.0000*DELTA_C # 1.0~;\n IEPOXP = AISO3NOSJ - 5.0000*DELTA_C \n # 1.0~; \n IEPOXP + ASO4J = AISO3OSJ - 5.0000*DELTA_C \n # 1.0~; \n\n! AMORE Heterogeneous reactions\n IPX = AISO4J # 2.0~;\n INALD = AISO5J + HNO3 # 0.5~;\n\n! IEPOX = AISO3J # 1.0~;\n\n! ROCALK chemistry based on GECKO (Lannuque et al. 2018 ACP)\n! with autoxidation from Praske et al. 2018 PNAS\n! HO not regenerated due to actual radical chemistry\n VROCP6ALK + HO = VROCP6ALKP # 1.53e-11;\n VROCP5ALK + HO = VROCP5ALKP # 1.68e-11;\n VROCP4ALK + HO = VROCP4ALKP # 2.24e-11;\n VROCP3ALK + HO = VROCP3ALKP # 2.67e-11;\n VROCP2ALK + HO = VROCP2ALKP # 3.09e-11;\n VROCP1ALK + HO = VROCP1ALKP # 3.38e-11;\n HC10 + HO = HC10P # 1.10e-11;\n\n! RO+NO updated to MCM values to include T dep\n VROCP6ALKP + NO = 0.720*VROCP6ALKP2 + 0.280*VROCP4OXY2 \n + 0.720*NO2 + 0.2800*DELTA_N \n + 1.1200*DELTA_C # 2.7e-12 @ -360.; \n VROCP5ALKP + NO = 0.720*VROCP5ALKP2 + 0.280*VROCP3OXY2 \n + 0.720*NO2 + 0.2800*DELTA_N \n + 0.8400*DELTA_C # 2.7e-12 @ -360.; \n VROCP4ALKP + NO = 0.720*VROCP4ALKP2 + 0.280*VROCP2OXY2 \n + 0.720*NO2 + 0.2800*DELTA_N \n + 1.6800*DELTA_C # 2.7e-12 @ -360.; \n VROCP3ALKP + NO = 0.720*VROCP3ALKP2 + 0.280*VROCP1OXY1 \n + 0.720*NO2 + 0.2800*DELTA_N \n + 1.1200*DELTA_C # 2.7e-12 @ -360.; \n VROCP2ALKP + NO = 0.720*VROCP2ALKP2 + 0.280*VROCP0OXY2 \n + 0.720*NO2 + 0.2800*DELTA_N \n + 2.8000*DELTA_C # 2.7e-12 @ -360.; \n VROCP1ALKP + NO = 0.720*VROCP1ALKP2 + 0.280*VROCN1OXY1 \n + 0.720*NO2 + 0.2800*DELTA_N \n + 1.9600*DELTA_C # 2.7e-12 @ -360.; \n HC10P + NO = 0.740*HC10P2 + 0.260*ONIT + 0.740*NO2 \n + 1.5600*DELTA_C # 2.7E-12 @ -360.; \n\n VROCP6ALKP + NO3 = VROCP6ALKP2 + NO2 # 2.30e-12;\n VROCP5ALKP + NO3 = VROCP5ALKP2 + NO2 # 2.30e-12;\n VROCP4ALKP + NO3 = VROCP4ALKP2 + NO2 # 2.30e-12;\n VROCP3ALKP + NO3 = VROCP3ALKP2 + NO2 # 2.30e-12;\n VROCP2ALKP + NO3 = VROCP2ALKP2 + NO2 # 2.30e-12;\n VROCP1ALKP + NO3 = VROCP1ALKP2 + NO2 # 2.30e-12;\n HC10P + NO3 = HC10P2 + NO2 # 2.30e-12;\n\n VROCP6ALKP + HO2 = VROCP3OXY2 + 2.0000*DELTA_C # 2.17e-11;\n VROCP5ALKP + HO2 = VROCP2OXY2 + 2.0000*DELTA_C # 2.20e-11;\n VROCP4ALKP + HO2 = VROCP1OXY1 + 1.0000*DELTA_C # 2.25e-11;\n VROCP3ALKP + HO2 = VROCP0OXY2 + 7.0000*DELTA_C # 2.26e-11;\n VROCP2ALKP + HO2 = VROCN1OXY1 + 4.0000*DELTA_C # 2.27e-11;\n VROCP1ALKP + HO2 = VROCN2OXY2 + 10.0000*DELTA_C # 2.27e-11;\n HC10P + HO2 = OP2 + 8.0000*DELTA_C # 2.66e-13 @ -1300.;\n\n VROCP6ALKP2 = HO2 + VROCP3OXY2 + 2.0000*DELTA_C # 1.88e-1;\n VROCP5ALKP2 = HO2 + VROCP2OXY2 + 2.0000*DELTA_C # 1.88e-1;\n VROCP4ALKP2 = HO2 + VROCP1OXY1 + 1.0000*DELTA_C # 1.88e-1;\n VROCP3ALKP2 = HO2 + VROCP0OXY2 + 7.0000*DELTA_C # 1.88e-1;\n VROCP2ALKP2 = HO2 + VROCN1OXY1 + 4.0000*DELTA_C # 1.88e-1;\n VROCP1ALKP2 = HO2 + VROCN2OXY2 + 10.0000*DELTA_C # 1.88e-1;\n HC10P2 = HO2 + VROCP4OXY2 + 1.0000*DELTA_C # 1.88e-1;\n\n! RO2+NO,NO3 products updated to assume alkoxy radical proceeds\n! entirely through ketone channel (same as MCM)\n VROCP6ALKP2 + NO = 0.140*VROCP2OXY2 + 0.860*NO2 \n + 0.860*VROCP3OXY2 + 0.860*HO2 \n + 0.1400*DELTA_N + 1.8600*DELTA_C \n # 2.7E-12 @ -360.; \n VROCP5ALKP2 + NO = 0.140*VROCP1OXY3 + 0.860*NO2 \n + 0.860*VROCP2OXY2 + 0.860*HO2 \n + 0.1400*DELTA_N + 2.1400*DELTA_C \n # 2.7E-12 @ -360.; \n VROCP4ALKP2 + NO = 0.140*VROCP0OXY2 + 0.860*NO2 \n + 0.860*VROCP1OXY1 + 0.860*HO2 \n + 0.1400*DELTA_N + 1.4200*DELTA_C \n # 2.7E-12 @ -360.; \n VROCP3ALKP2 + NO = 0.140*VROCN1OXY1 + 0.860*NO2 \n + 0.860*VROCP0OXY2 + 0.860*HO2 \n + 0.1400*DELTA_N + 6.1600*DELTA_C \n # 2.7E-12 @ -360.; \n VROCP2ALKP2 + NO = 0.140*VROCN2OXY2 + 0.860*NO2 \n + 0.860*VROCN1OXY1 + 0.860*HO2 \n + 0.1400*DELTA_N + 4.4200*DELTA_C \n # 2.7E-12 @ -360.; \n VROCP1ALKP2 + NO = VROCN2OXY2 + 0.860*NO2 + 0.860*HO2 \n + 0.1400*DELTA_N + 10.0000*DELTA_C \n # 2.7E-12 @ -360.; \n HC10P2 + NO = 0.120*ONIT + 0.880*NO2 + 0.880*KET + 0.880*HO2 \n + 5.1200*DELTA_C # 2.7E-12 @ -360.; \n\n VROCP6ALKP2 + NO3 = NO2 + VROCP3OXY2 + HO2 \n + 2.0000*DELTA_C # 2.30e-12; \n VROCP5ALKP2 + NO3 = NO2 + VROCP2OXY2 + HO2 \n + 2.0000*DELTA_C # 2.30e-12; \n VROCP4ALKP2 + NO3 = NO2 + VROCP1OXY1 + HO2 \n + 1.0000*DELTA_C # 2.30e-12; \n VROCP3ALKP2 + NO3 = NO2 + VROCP0OXY2 + HO2 \n + 7.0000*DELTA_C # 2.30e-12; \n VROCP2ALKP2 + NO3 = NO2 + VROCN1OXY1 + HO2 \n + 4.0000*DELTA_C # 2.30e-12; \n VROCP1ALKP2 + NO3 = NO2 + VROCN2OXY2 + HO2 \n + 10.0000*DELTA_C # 2.30e-12; \n HC10P2 + NO3 = NO2 + KET + HO2 + 5.0000*DELTA_C # 2.30e-12;\n\n VROCP6ALKP2 + HO2 = VROCP1OXY3 + 2.0000*DELTA_C # 2.17e-11;\n VROCP5ALKP2 + HO2 = VROCP0OXY2 # 2.20e-11;\n VROCP4ALKP2 + HO2 = VROCN1OXY1 - 2.0000*DELTA_C # 2.25e-11;\n VROCP3ALKP2 + HO2 = VROCN2OXY2 + 4.0000*DELTA_C # 2.26e-11;\n VROCP2ALKP2 + HO2 = VROCN2OXY2 + 7.0000*DELTA_C # 2.27e-11;\n VROCP1ALKP2 + HO2 = VROCN2OXY2 + 10.0000*DELTA_C \n # 2.27e-11; \n HC10P2 + HO2 = VROCP2OXY2 - 2.0000*DELTA_C \n # 2.66e-13 @ -1300.; \n\n! IVOC aromatic oxidation following MCM with autoxidation\n! added to bicyclic RO2 channel. Epoxide channel eliminated\n! and nitrate yield reduced following Xu et al. JPCA 2020.\n! RO2+RO2 rates from RACM2 aromatic RO2s\n! ROCP6ARO\n VROCP6ARO + HO = 0.840*VROCP6AROP + 0.160*HO2 \n + 0.160*VROCP4OXY2 + 0.6400*DELTA_C \n # 1.81E-11; \n VROCP6AROP + HO2 = 0.0595*VROCP4OXY2 + 0.9048*VROCP1OXY3 \n + 0.0357*VROCN2OXY4 + 2.1190*DELTA_C \n # 2.91E-13 @ -1300.; \n VROCP6AROP + NO = 0.0001*VROCP4OXY2 + 0.0018*VROCP2OXY2 \n + 0.0001*VROCN1OXY3 + 0.998*NO2 + 0.998*HO2 \n + 0.0594*BALD + 0.4693*GLY + 0.4693*MGLY \n + 0.4693*FURANONE + 0.4693*DCB2 \n + 0.0020*DELTA_N + 5.5210*DELTA_C \n # 2.7E-12 @ -360.; \n VROCP6AROP + NO3 = NO2 + 0.9405*HO2 + 0.0595*BALD \n + 0.4702*GLY + 0.4702*MGLY \n + 0.4702*FURANONE + 0.4702*DCB2 \n + 5.5305*DELTA_C # 2.3E-12; \n VROCP6AROP + MO2 = 0.680*HCHO + 1.3105*HO2 + 0.320*MOH \n + 0.0595*BALD + 0.4702*GLY + 0.4702*MGLY \n + 0.4702*FURANONE + 0.4702*DCB2 \n + 5.5305*DELTA_C # 3.56E-14 @ -708.; \n VROCP6AROP + ACO3 = 0.700*MO2 + 0.9405*HO2 + 0.300*ORA2 \n + 0.0595*BALD + 0.4702*GLY + 0.4702*MGLY \n + 0.4702*FURANONE + 0.4702*DCB2 \n + 6.2305*DELTA_C # 7.4E-13 @ -765.; \n! ROCP5ARO\n VROCP5ARO + HO = 0.840*VROCP5AROP + 0.160*HO2 \n + 0.160*VROCP3OXY2 + 0.4800*DELTA_C \n # 1.81E-11; \n VROCP5AROP + HO2 = 0.0595*VROCP3OXY2 + 0.9048*VROCP0OXY2 \n + 0.0357*VROCN2OXY4 + 0.2856*DELTA_C \n # 2.91E-13 @ -1300.; \n VROCP5AROP + NO = 0.0001*VROCP3OXY2 + 0.0018*VROCP1OXY3 \n + 0.0001*VROCN2OXY4 + 0.998*NO2 + 0.998*HO2 \n + 0.0594*VROCP4OXY2 + 0.4693*GLY \n + 0.4693*MGLY + 0.4693*FURANONE \n + 0.4693*DCB2 + 0.0020*DELTA_N \n + 6.4039*DELTA_C # 2.7E-12 @ -360.; \n VROCP5AROP + NO3 = NO2 + 0.9405*HO2 + 0.0595*VROCP4OXY2 \n + 0.4702*GLY + 0.4702*MGLY \n + 0.4702*FURANONE + 0.4702*DCB2 \n + 6.4115*DELTA_C # 2.3E-12; \n VROCP5AROP + MO2 = 0.680*HCHO + 1.3105*HO2 + 0.320*MOH \n + 0.0595*VROCP4OXY2 + 0.4702*GLY \n + 0.4702*MGLY + 0.4702*FURANONE \n + 0.4702*DCB2 + 6.4115*DELTA_C \n # 3.56E-14 @ -708.; \n VROCP5AROP + ACO3 = 0.700*MO2 + 0.9405*HO2 + 0.300*ORA2 \n + 0.0595*VROCP4OXY2 + 0.4702*GLY \n + 0.4702*MGLY + 0.4702*FURANONE \n + 0.4702*DCB2 + 7.1115*DELTA_C \n # 7.4E-13 @ -765.; \n\n! NAPH\n NAPH + HO = 0.840*NAPHP + 0.160*HO2 + 0.160*VROCP3OXY2 \n - 0.1600*DELTA_C # 2.31E-11; \n NAPHP + HO2 = 0.0595*VROCP3OXY2 + 0.9048*VROCP1OXY3 \n + 0.0357*VROCN2OXY8 - 0.8572*DELTA_C \n # 2.91E-13 @ -1300.; \n NAPHP + NO = 0.0595*VROCP4OXY2 + 0.0018*VROCP2OXY2 \n + 0.0001*VROCN2OXY8 + 0.998*NO2 + 0.998*HO2 \n + 0.4693*GLY + 0.4693*MGLY + 0.4693*FURANONE \n + 0.4693*DCB2 + 0.0020*DELTA_N + 2.4027*DELTA_C \n # 2.7E-12 @ -360.; \n NAPHP + NO3 = NO2 + 0.9405*HO2 + 0.0595*VROCP4OXY2 \n + 0.4702*GLY + 0.4702*MGLY + 0.4702*FURANONE \n + 0.4702*DCB2 + 2.4115*DELTA_C # 2.3E-12; \n NAPHP + MO2 = 0.680*HCHO + 1.3105*HO2 + 0.320*MOH \n + 0.0595*VROCP4OXY2 + 0.4702*GLY + 0.4702*MGLY \n + 0.4702*FURANONE + 0.4702*DCB2 \n + 2.4115*DELTA_C # 3.56E-14 @ -708.; \n NAPHP + ACO3 = 0.700*MO2 + 0.9405*HO2 + 0.300*ORA2 \n + 0.0595*VROCP4OXY2 + 0.4702*GLY + 0.4702*MGLY \n + 0.4702*FURANONE + 0.4702*DCB2 \n + 3.1115*DELTA_C # 7.4E-13 @ -765.; \n\n! Multigenerational oxidation of LVOCs and SVOCs\n! Aging of ROCOXY with explicit low MW species\n VROCN2OXY8 + HO = HO + 0.0854*VROCN2OXY8 + 0.2581*DCB1 \n + 0.2581*MEK + 0.2581*ACD + 0.2581*ALD \n + 0.2581*MO2 + 0.2581*ETHP + 0.2581*HC3P \n + 0.2581*MEKP + 0.2078*DELTA_C # 5.90e-11; \n VROCN2OXY4 + HO = HO + 0.464*VROCN2OXY8 + 0.1977*VROCN2OXY4 \n + 0.0121*VROCN1OXY6 + 0.0152*VROCN1OXY3 \n + 0.0624*VROCP0OXY4 + 0.0388*VROCP1OXY3 \n + 0.0491*VROCP2OXY2 + 0.0398*VROCP3OXY2 \n + 0.0183*VROCP4OXY2 + 0.0308*OP3 + 0.004*OP2 \n + 0.0794*DCB1 + 0.0794*MEK + 0.0794*KET \n + 0.0794*ACD + 0.0794*ALD + 0.0794*MO2 \n + 0.0794*ETHP + 0.0794*HC3P + 0.0794*MEKP \n + 0.0794*HC5P + 0.0794*KETP \n - 0.2954*DELTA_C # 6.07e-11; \n VROCN2OXY2 + HO = HO + 0.1041*VROCN2OXY8 + 0.5638*VROCN2OXY4 \n + 0.2141*VROCN2OXY2 + 0.0153*VROCN1OXY6 \n + 0.0298*VROCN1OXY3 + 0.0096*VROCN1OXY1 \n + 0.0189*VROCP0OXY4 + 0.0456*VROCP0OXY2 \n + 0.0314*VROCP1OXY3 + 0.0199*VROCP1OXY1 \n + 0.0459*VROCP2OXY2 + 0.0452*VROCP3OXY2 \n + 0.0455*VROCP4OXY2 + 0.0325*VROCP5OXY1 \n + 0.0369*VROCP6OXY1 + 0.0026*OP3 \n + 0.039*DCB1 + 0.039*HKET + 0.039*MEK \n + 0.039*ACD + 0.039*ALD + 0.039*MO2 \n + 0.039*ETHP + 0.039*HC3P + 0.039*MEKP \n + 0.0925*HC5P + 0.5632*DELTA_C # 5.54e-11; \n VROCN1OXY6 + HO = HO + 0.2036*VROCN2OXY8 + 0.0071*VROCN2OXY4 \n + 0.184*DCB1 + 0.184*MEK + 0.184*KET \n + 0.184*ACD + 0.184*ALD + 0.184*MO2 \n + 0.184*ETHP + 0.184*HC3P + 0.184*MEKP \n + 0.184*HC5P + 0.2406*DELTA_C # 5.63e-11; \n VROCN1OXY3 + HO = HO + 0.2792*VROCN2OXY8 + 0.4025*VROCN2OXY4 \n + 0.0088*VROCN2OXY2 + 0.0319*VROCN1OXY6 \n + 0.0076*VROCN1OXY3 + 0.0194*VROCP0OXY4 \n + 0.0104*VROCP0OXY2 + 0.051*VROCP1OXY3 \n + 0.0075*VROCP1OXY1 + 0.0512*VROCP2OXY2 \n + 0.0462*VROCP3OXY2 + 0.0512*VROCP4OXY2 \n + 0.0138*VROCP5OXY1 + 0.0135*OP2 \n + 0.0646*DCB1 + 0.0646*HKET + 0.0646*MEK \n + 0.0646*ACD + 0.0646*ALD + 0.0646*MO2 \n + 0.0646*ETHP + 0.0646*HC3P + 0.0646*MEKP \n + 0.1753*HC5P - 0.2888*DELTA_C # 5.46e-11; \n VROCN1OXY1 + HO = HO + 0.0074*VROCN2OXY8 + 0.119*VROCN2OXY4 \n + 0.7261*VROCN2OXY2 + 0.0122*VROCN1OXY6 \n + 0.0305*VROCN1OXY3 + 0.007*VROCN1OXY1 \n + 0.0291*VROCP0OXY4 + 0.0454*VROCP0OXY2 \n + 0.0234*VROCP1OXY3 + 0.0352*VROCP1OXY1 \n + 0.0624*VROCP2OXY2 + 0.0518*VROCP3OXY2 \n + 0.0509*VROCP4OXY2 + 0.0347*VROCP5OXY1 \n + 0.0748*VROCP6OXY1 + 0.0163*OP3 \n + 0.0062*OP2 + 0.0244*DCB1 + 0.0244*HKET \n + 0.0244*MEK + 0.0244*ACD + 0.0244*ALD \n + 0.0244*MO2 + 0.0244*ETHP + 0.0244*HC3P \n + 0.0244*MEKP + 0.0537*HC5P \n + 0.0078*DELTA_C # 4.50e-11; \n VROCP0OXY4 + HO = HO + 0.2822*VROCN2OXY8 + 0.1165*VROCN2OXY4 \n + 0.032*VROCN1OXY6 + 0.0183*VROCN1OXY3 \n + 0.0011*VROCP0OXY4 + 0.066*VROCP2OXY2 \n + 0.0535*VROCP3OXY2 + 0.0246*VROCP4OXY2 \n + 0.0054*OP2 + 0.1068*DCB1 + 0.1068*MEK \n + 0.1068*KET + 0.1068*ACD + 0.1068*ALD \n + 0.1068*MO2 + 0.1068*ETHP + 0.1068*HC3P \n + 0.1068*MEKP + 0.1068*HC5P + 0.1068*KETP \n + 0.4786*DELTA_C # 5.17e-11; \n VROCP0OXY2 + HO = HO + 0.0659*VROCN2OXY8 + 0.4579*VROCN2OXY4 \n + 0.1156*VROCN2OXY2 + 0.0325*VROCN1OXY6 \n + 0.0657*VROCN1OXY3 + 0.0046*VROCN1OXY1 \n + 0.0307*VROCP0OXY4 + 0.0024*VROCP0OXY2 \n + 0.0395*VROCP1OXY3 + 0.0215*VROCP1OXY1 \n + 0.0539*VROCP2OXY2 + 0.0516*VROCP3OXY2 \n + 0.0519*VROCP4OXY2 + 0.0371*VROCP5OXY1 \n + 0.0421*VROCP6OXY1 + 0.0105*OP3 \n + 0.0445*DCB1 + 0.0445*HKET + 0.0445*MEK \n + 0.0445*ACD + 0.0445*ALD + 0.0445*MO2 \n + 0.0445*ETHP + 0.0445*HC3P + 0.0445*MEKP \n + 0.1055*HC5P - 0.0259*DELTA_C # 4.73e-11; \n VROCP1OXY3 + HO = HO + 0.1778*VROCN2OXY8 + 0.1924*VROCN2OXY4 \n + 0.0004*VROCN2OXY2 + 0.074*VROCN1OXY6 \n + 0.0452*VROCN1OXY3 + 0.0631*VROCP0OXY4 \n + 0.0007*VROCP0OXY2 + 0.0006*VROCP1OXY3 \n + 0.0227*VROCP2OXY2 + 0.0585*VROCP3OXY2 \n + 0.0649*VROCP4OXY2 + 0.0174*VROCP5OXY1 \n + 0.0154*OP3 + 0.017*OP2 + 0.0818*DCB1 \n + 0.0818*HKET + 0.0818*MEK + 0.0818*ACD \n + 0.0818*ALD + 0.0818*MO2 + 0.0818*ETHP \n + 0.0818*HC3P + 0.0818*MEKP + 0.222*HC5P \n + 0.6832*DELTA_C # 4.60e-11; \n VROCP1OXY1 + HO = HO + 0.0023*VROCN2OXY8 + 0.134*VROCN2OXY4 \n + 0.3349*VROCN2OXY2 + 0.008*VROCN1OXY6 \n + 0.1193*VROCN1OXY3 + 0.0758*VROCN1OXY1 \n + 0.0292*VROCP0OXY4 + 0.0766*VROCP0OXY2 \n + 0.0277*VROCP1OXY3 + 0.0118*VROCP1OXY1 \n + 0.0651*VROCP2OXY2 + 0.0709*VROCP3OXY2 \n + 0.0668*VROCP4OXY2 + 0.0423*VROCP5OXY1 \n + 0.0911*VROCP6OXY1 + 0.0066*OP3 \n + 0.0025*OP2 + 0.0297*DCB1 + 0.0297*HKET \n + 0.0297*MEK + 0.0297*ACD + 0.0297*ALD \n + 0.0297*MO2 + 0.0297*ETHP + 0.0297*HC3P \n + 0.0297*MEKP + 0.0654*HC5P \n + 0.3011*DELTA_C # 3.80e-11; \n VROCP2OXY2 + HO = HO + 0.0445*VROCN2OXY8 \n + 0.1726*VROCN2OXY4 + 0.0104*VROCN2OXY2 \n + 0.0513*VROCN1OXY6 + 0.1118*VROCN1OXY3 \n + 0.0013*VROCN1OXY1 + 0.1337*VROCP0OXY4 \n + 0.0403*VROCP0OXY2 + 0.0511*VROCP1OXY3 \n + 0.0068*VROCP1OXY1 + 0.0236*VROCP2OXY2 \n + 0.0293*VROCP3OXY2 + 0.0733*VROCP4OXY2 \n + 0.0523*VROCP5OXY1 + 0.0595*VROCP6OXY1 \n + 0.0041*OP3 + 0.0023*OP2 + 0.0628*DCB1 \n + 0.0628*HKET + 0.0628*MEK + 0.0628*ACD \n + 0.0628*ALD + 0.0628*MO2 + 0.0628*ETHP \n + 0.0628*HC3P + 0.0628*MEKP + 0.1489*HC5P \n + 0.4027*DELTA_C # 3.93e-11; \n VROCP3OXY2 + HO = HO + 0.0317*VROCN2OXY8 \n + 0.0765*VROCN2OXY4 + 0.0009*VROCN2OXY2 \n + 0.0526*VROCN1OXY6 + 0.0489*VROCN1OXY3 \n + 0.155*VROCP0OXY4 + 0.0155*VROCP0OXY2 \n + 0.1051*VROCP1OXY3 + 0.0013*VROCP1OXY1 \n + 0.0535*VROCP2OXY2 + 0.0086*VROCP3OXY2 \n + 0.0426*VROCP4OXY2 + 0.0582*VROCP5OXY1 \n + 0.0661*VROCP6OXY1 + 0.0506*OP3 \n + 0.0114*OP2 + 0.0698*DCB1 + 0.0698*HKET \n + 0.0698*MEK + 0.0698*ACD + 0.0698*ALD \n + 0.0698*MO2 + 0.0698*ETHP + 0.0698*HC3P \n + 0.0698*MEKP + 0.1656*HC5P \n + 0.4732*DELTA_C # 3.52e-11; \n VROCP4OXY2 + HO = HO + 0.0117*VROCN2OXY8 \n + 0.0167*VROCN2OXY4 + 0.048*VROCN1OXY6 \n + 0.0246*VROCN1OXY3 + 0.0881*VROCP0OXY4 \n + 0.0916*VROCP1OXY3 + 0.0073*VROCP1OXY1 \n + 0.0972*VROCP2OXY2 + 0.0456*VROCP3OXY2 \n + 0.0024*VROCP4OXY2 + 0.0479*VROCP5OXY1 \n + 0.0745*VROCP6OXY1 + 0.0607*OP3 \n + 0.0155*OP2 + 0.0786*DCB1 + 0.0786*HKET \n + 0.0786*MEK + 0.0786*ACD + 0.0786*ALD \n + 0.0786*MO2 + 0.0786*ETHP + 0.0786*HC3P \n + 0.0786*MEKP + 0.173*HC5P \n - 0.3482*DELTA_C # 3.12e-11; \n VROCP5OXY1 + HO = HO + 0.0103*VROCN2OXY4 \n + 0.0006*VROCN2OXY2 + 0.009*VROCN1OXY6 \n + 0.0146*VROCN1OXY3 + 0.0702*VROCP0OXY4 \n + 0.0153*VROCP0OXY2 + 0.1038*VROCP1OXY3 \n + 0.0031*VROCP1OXY1 + 0.165*VROCP2OXY2 \n + 0.1566*VROCP3OXY2 + 0.0724*VROCP4OXY2 \n + 0.0062*VROCP5OXY1 + 0.1398*VROCP6OXY1 \n + 0.0216*OP3 + 0.0384*OP2 + 0.0526*DCB1 \n + 0.0526*HKET + 0.0526*MEK + 0.0526*ACD \n + 0.0526*ALD + 0.0526*MO2 + 0.0526*ETHP \n + 0.0526*HC3P + 0.0526*MEKP + 0.128*HC5P \n + 0.5282*DELTA_C # 2.40e-11; \n VROCP6OXY1 + HO = HO + 0.0061*VROCN1OXY6 \n + 0.0049*VROCN1OXY3 + 0.0224*VROCP0OXY4 \n + 0.0503*VROCP1OXY3 + 0.0022*VROCP1OXY1 \n + 0.0879*VROCP2OXY2 + 0.1384*VROCP3OXY2 \n + 0.1463*VROCP4OXY2 + 0.0432*VROCP5OXY1 \n + 0.0957*VROCP6OXY1 + 0.0316*OP3 \n + 0.0585*OP2 + 0.0571*DCB1 + 0.0571*HKET \n + 0.0571*MEK + 0.0571*ACD + 0.0571*ALD \n + 0.0571*MO2 + 0.0571*ETHP + 0.0571*HC3P \n + 0.0571*MEKP + 0.1544*HC5P \n + 0.1638*DELTA_C # 2.05e-11; \n OP3 + HO = HO + 0.1188*VROCN2OXY8 + 0.0008*VROCN2OXY4 \n + 0.039*VROCN1OXY6 + 0.0114*VROCP0OXY4 \n + 0.2266*DCB1 + 0.2266*MEK + 0.2266*ACD \n + 0.2266*ALD + 0.2266*MO2 + 0.2266*ETHP \n + 0.2266*HC3P + 0.2266*MEKP + 1.2952*DELTA_C \n # 4.69e-11; \n\n! ECH4 (emitted methane)\n ECH4 + HO = MO2 # 2.45E-12 @ 1775.;\n\n! monoterpene nitrate hydrolysis\n ATRPNJ = AHOMJ + HNO3 - 1.0000*DELTA_N - 1.0000*DELTA_C \n # 9.26E-05; \n AHONITJ = AHOMJ + HNO3 - 1.0000*DELTA_N - 1.0000*DELTA_C \n # 9.26E-05; \n\n! MCM-based styrene chemistry\n STY + HO = STYP # 5.8E-11;\n STYP + HO2 = VROCP3OXY2 - 3.0000*DELTA_C # 2.91E-12 @ -1300;\n STYP + NO = NO2 + HO2 + HCHO + BALD # 2.70E-12 @ -360;\n STYP + NO3 = NO2 + HO2 + HCHO + BALD # 2.3E-12;\n STYP + MO2 = 1.370*HO2 + 1.680*HCHO + BALD + 0.320*MOH \n + 0.0000*DELTA_C # 2.5E-13; \n STYP + ACO3 = HO2 + HCHO + BALD + 0.700*MO2 + 0.300*ORA2 \n + 0.7000*DELTA_C # 2.5E-13; \n\nEND MECH\n\nCONSTANTS\n ATM_AIR = 1.0E+06\n ATM_H2 = 0.56\n ATM_N2 = 0.7808E+06\n ATM_O2 = 0.2095E+06\n ATM_CH4 = 1.85\nEND CONSTANTS\n\n\n\n" }, { "path": "CCTM/src/MECHS/cracmm2/pa_cracmm2.ctl", "content": "! for cracmm1_aq\n!\nIRRTYPE = PARTIAL;\nDEFINE FAMILY NOX = NO + NO2;\nDEFINE FAMILY ORG_NO3 = ADCN + ISON + OLND+ OLNN + ONIT + INALD\n+ TRPN + HONIT;\nDEFINE FAMILY PANS = PAN +PPN +MPAN;\nDEFINE FAMILY NOZ = PAN + PPN + MPAN + HONO + HNO4 + 2*N2O5 + ADCN\n+ ISON + SESQNRO2\n+ OLND+ OLNN + ONIT + TRPN + HNO3;\nDEFINE FAMILY OX = O3 +NO2 +2*NO3 + O3P + O1D +PAN +3*N2O5 + HNO4 +PPN \n+ MPAN;\nDEFINE FAMILY HOX = HO + HO2;\nDEFINE FAMILY RO3S = ACO3 + RCO3;\nDEFINE FAMILY RO2S = MO2 + ACTP + ISOP + KETP + LIMALP + LIMNP1 \n+ LIMNP2\n+ HC10P + HC10P2 + HC3P + HC5P + LIMP1 + LIMP2 + MACP + MCP + MEKP \n+ MVKP + NAPHP + OLTP + STYP + EBZP\n+ XYL + XO2 + APINP1 + APINP2 + APIP1 + APIP2 + PINALP\n+ BAL1 + BAL2 + BALP + BDE13P + BENP + ETEP + ETHP + FURANO2\n+ VROCP5AROP + VROCP6AROP\n+ SESQNRO2 + SESQRO2 + UALP + OLIP + ORAP + TOLP\n+ VROCP6ALK + VROCP1ALKP + VROCP2ALKP + VROCP3ALKP\n+ VROCP4ALKP + VROCP5ALKP + VROCP6ALKP + VROCP1ALKP2\n+ VROCP2ALKP2 + VROCP3ALKP2 + VROCP4ALKP2 + VROCP5ALKP2\n+ VROCP6ALKP2;\n\nDEFINE FAMILY RO2NS = LIMNP1 + LIMNP2 + APINP1 + APINP2 + VROCP1ALKP2\n+ VROCP2ALKP2 + VROCP3ALKP2 + VROCP4ALKP2 + VROCP5ALKP2\n+ SESQNRO2 + VROCP6ALKP2 + HC10P2;\n\nDEFINE FAMILY RO2OS = MO2 + ACTP + ISOP + KETP\n+ HC10P + HC3P + HC5P + LIMP1 + LIMP2 + MACP + MCP + MEKP\n+ MVKP + NAPHP + OLTP + STYP + EBZP\n+ VROCP5AROP + VROCP6AROP\n+ XYLP + XO2 + APIP1 + APIP2 + PINALP\n+ BAL1 + BAL2 + BALP + BDE13P + BENP + ETEP + ETHP + FURANO2\n+ SESQRO2 + UALP + OLIP + ORAP + TOLP\n+ VROCP6ALK + VROCP1ALKP + VROCP2ALKP + VROCP3ALKP\n+ VROCP4ALKP + VROCP5ALKP + VROCP6ALKP;\n\nDEFINE FAMILY BIO_RO2S = ISOP + LIMALP + LIMNP1\n+ LIMNP2 + LIMP2 + PINALP + MACP \n+ MVKP + APINP1 + APINP2 + APIP1 + APIP2 \n+ SESQNRO2 + SESQRO2;\n\nDEFINE FAMILY AROM_RO2S = BENP + TOLP + XYLP + NAPHP + EBZP + STYP\n+ VROCP5AROP + VROCP6AROP;\n\nDEFINE FAMILY ANTHRO_VOC = HCHO + ACD + ACT + UALD + KET + TOL \n+ EBZ + STY + ECH4\n+ HC5 + HC10 + XYL + ACRO + ALD + BALD + BEN + BDE13 + CSL + DCB1 \n+ EOH + HC3 + ETE + ETEG + ETH + FURAN + GLY + HKET + MACR + MCT \n+ MEK + NAPH + MGLY + MVK + OLI + OLT + ORA1 + ORA2 + PHEN + PROG\n+ VROCIOXY + ROH + SLOWROC;\n\nDEFINE FAMILY BIO_VOC = ISO + LIM + LIMAL + PINAL + API + SESQ;\n\nDEFINE FAMILY ISOPRENE_SOA = AISO3NOSJ + AISO3OSJ + AISO5J + AISO4J;\n\nDEFINE FAMILY ISOPRENE_VOC = ISHP + MVK + MACR + ISON + INO2 + INALD\n+ IPX + IEPOX;\n\nDEFINE FAMILY SVSOA_VAPALK = VROCP1ALK;\n\nDEFINE FAMILY HVSOA_VAPALK = VROCP2ALK + VROCP3ALK;\n\nDEFINE FAMILY LVSOA_VAPOXY = VROCN2OXY2 + VROCN2OXY4 + VROCN2OXY8 \n+ VROCN1OXY1 + VROCN1OXY3 + VROCN1OXY6;\n\nDEFINE FAMILY SVSOA_VAPOXY = VROCP0OXY2 + VROCP0OXY4 + VROCP1OXY1\n+ VROCP1OXY3;\n\nDEFINE FAMILY HVSOA_VAPOXY = VROCP2OXY2 + VROCP3OXY2 + OP3;\n\nDEFINE FAMILY VROC_OXYS = VROCN2OXY2 + VROCP4OXY2 + VROCN1OXY6 + VROCP3OXY2\n + VROCP0OXY4 + VROCIOXY + VROCP0OXY2 + VROCP1OXY3 + VROCP2OXY2 + VROCP1OXY1\n + VROCN1OXY1 + VROCN2OXY4 + VROCN1OXY3 + VROCN2OXY8 + VROCP5OXY1\n + VROCP6OXY1 + OP3;\n\nDEFINE FAMILY VROC_ALKS = VROCP6ALK + VROCP6ALKP + VROCP5ALK + VROCP5ALKP\n + VROCP4ALK + VROCP4ALKP + VROCP3ALK + VROCP3ALKP + VROCP2ALK + VROCP2ALKP\n + VROCP1ALK + VROCP1ALKP + VROCP6ALKP2 + VROCP5ALKP2 + VROCP4ALKP2\n + VROCP3ALKP2 + VROCP2ALKP2 + VROCP1ALKP2;\n!!=======================================================================\n! Reaction Sum Definitions \n!=======================================================================\n\nDEFINE CYCLE PANcyc = PAN;\nDEFINE CYCLE PPNcyc = PPN;\nDEFINE CYCLE MPANcyc = MPAN;\nDEFINE CYCLE HNO4cyc = HNO4;\n\n\nDEFINE RXNSUM HNO4_HO2cyc = 0.80* + - ;\nDEFINE RXNSUM HONOcyc = - - ;\nDEFINE RXNSUM NO3cyc = - ;\n! uncertain if only consider reaction involve HOX as reaction orproduct\nDEFINE RXNSUM CH3OO_cyc = - ;\nDEFINE RXNSUM C2H6OOcyc = - 0.780* - 0.790*\n- 0.650* - 0.650* - 0.680* - \n- - - \n- - - - 0.602* - 0.720*\n- 0.480* - 0.085* - 0.850* - - \n- - - - - - 0.680*\n- 0.700* - 0.680* - 0.700* - 0.680*\n- 0.620* - 0.720* - 0.048* - 0.085*\n- - - - - 0.004*\n- 0.013* - 0.006* - 0.005*\n- 0.017* - 0.003* - 0.011*\n- 0.013* - 0.038* - 0.059*;\nDEFINE RXNSUM N2O5cyc = - ;\nDEFINE RXNSUM H2O2_OHcyc = - - ;\nDEFINE RXNSUM HOXcyc = - ;\n\n!======================================================================\n! IPR_OUTPUTS\n!=======================================================================\nIPR_OUTPUT O3 = CHEM+DDEP+CLDS+AERO+TRNM;\nIPR_OUTPUT HNO3 = CHEM+DDEP+CLDS+AERO;\nIPR_OUTPUT PAN = CHEM+DDEP+CLDS+AERO+TRNM;\nIPR_OUTPUT N2O5 = CHEM+DDEP+CLDS+AERO;\nIPR_OUTPUT HCHO = CHEM+DDEP+CLDS+AERO;\nIPR_OUTPUT SVSOA_VAPALK = CHEM;\nIPR_OUTPUT HVSOA_VAPALK = CHEM;\nIPR_OUTPUT LVSOA_VAPOXY = CHEM;\nIPR_OUTPUT SVSOA_VAPOXY = CHEM;\nIPR_OUTPUT HVSOA_VAPOXY = CHEM;\n\n\nDEFINE FAMILY EC = AECI + AECJ;\nIPR_OUTPUT EC = COAG + EMIS + HADV;\nIPR_OUTPUT ASO4J = COND + COAG + EMIS + CHEM + VDIF + CLDS;\nIPR_OUTPUT ASO4I = NPF + COND + COAG + EMIS + CHEM + VDIF +CLDS;\n!IPR_OUTPUT NUMATKN;\n!IPR_OUTPUT NUMACC;\n!IPR_OUTPUT NUMCOR;\n!=======================================================================\n! IRR_OUTPUTS\n! OX prod and loss\n!\nIRR_OUTPUT O3prod = NETP[O3];\nIRR_OUTPUT OxPROD = NETP[OX];\nIRR_OUTPUT OxLOSS = NETL[OX];\nIRR_OUTPUT OxLOSSHAL = ;\n\n! factors influencing PAN and N2O5 concentrations\n!\nIRR_OUTPUT PANprod = PANcyc[POSONLY];\nIRR_OUTPUT PANloss = PANcyc[NEGONLY];\n\n! RO2 fate\nIRR_OUTPUT RO2withNOtoNO2 = PROD[NO2] FROM [RO2S] AND [NO]\n+ PROD[NO2] FROM [RO3S] AND [NO];\nIRR_OUTPUT NRO2withNOtoNO2 = PROD[NO2] FROM [RO2NS] AND [NO];\nIRR_OUTPUT RO2withNOtoNTR = PROD[ORG_NO3] FROM [RO2S] AND [NO];\nIRR_OUTPUT RO3withNO2toPAN = PROD[PANS] FROM [RO3S] AND [NO2];\nIRR_OUTPUT ROXwithHO2 = LOSS [RO2S] AND [HO2] + LOSS [RO3S] AND [HO2];\nIRR_OUTPUT ROXwithRO2 = LOSS [RO2S] AND [RO2S] + LOSS [RO3S] AND [RO2S];\n\n! VOC fate\nIRR_OUTPUT ANTHRO_VOC_OH = LOSS[ANTHRO_VOC] AND [HO];\nIRR_OUTPUT ANTHRO_VOC_O3 = LOSS[ANTHRO_VOC] AND [O3];\nIRR_OUTPUT ANTHRO_VOC_NO3 = LOSS[ANTHRO_VOC] AND [NO3];\nIRR_OUTPUT BIO_VOCwithOH = LOSS[BIO_VOC] AND [HO];\nIRR_OUTPUT BIO_VOCwithO3 = LOSS[BIO_VOC] AND [O3];\nIRR_OUTPUT BIO_VOCwithNO3 = LOSS[BIO_VOC] AND [NO3];\n\n! New radicals\nIRR_OUTPUT OHfrO1D = PROD [HO] FROM [O1D];\n!\nIRR_OUTPUT NewHOxfromHCHO =2.0*; \nIRR_OUTPUT NewHOxfromH2O2 =2.0*H2O2_OHcyc[POSONLY];\nIRR_OUTPUT NewHOxfromHONO = HONOcyc[NEGONLY]; \nIRR_OUTPUT NewHOxfromHNOX = HNO4cyc[NEGONLY]; \n! from photolysis not including HCHO, HNO3 and HNO4\nIRR_OUTPUT NewHOxfromhv = + + 1.22* + \n+ + 2.0* + + + + 1.5* \n+ 1.5* + + 2.0* + 2.0* + 2.0*\n+ 2.0* + + ;\n! from O3+alkene reactions\nIRR_OUTPUT NewHOxfromO3 =0.230* + 0.550* + 0.530* \n+0.500* +0.900* + 0.840*; \n\n!radical loss from heterogeneous reactions\nIRR_OUTPUT HOX_LOSS_HET = ;\nIRR_OUTPUT NO2_LOSS_HET = ;\nIRR_OUTPUT NO3_LOSS_HET = ;\n\n! NOz production rates\n! use for O3 production efficiency = p(O3)/net_prod(NOz)\nIRR_OUTPUT NOZ_net_prod = NETP[NOZ];\n\n! use for O3 production efficiency = p(O3)/net_loss(NOx)\nIRR_OUTPUT NOX_net_loss = NETL[NOX];\n\n! use for O3 production efficiency = p(O3)/(NOz)= O3prod/NOZfromNOX\nIRR_OUTPUT NOZfrNOX = PANcyc[POSONLY] + PPNcyc[POSONLY] + MPANcyc[POSONLY] \n+ HONOcyc[POSONLY] + HNO4cyc[POSONLY] + NO3cyc[POSONLY] + N2O5cyc[POSONLY]\n+ PROD[ORG_NO3] FROM [NOX] + PROD[HNO3] FROM [NOX];\n\n! ASOAT production\nIRR_OUTPUT Prod_ASOAT_tot = PROD[ASOATJ];\nIRR_OUTPUT Prod_ASOAT_NOz = PROD[ASOATJ] FROM [NOX]\n+ PROD[ASOATJ] FROM [NO3];\n\n! HNO3 formation pathways\nIRR_OUTPUT HNO3prod = NETP[HNO3];\nIRR_OUTPUT HNO3fromOHNO2 = ;\nIRR_OUTPUT HNO3fromN2O5 = ;\nIRR_OUTPUT HNO3fromNO3 = PROD[HNO3] FROM [NO3];\n\n!H2O2 production\nIRR_OUTPUT H2O2prod = NETP[H2O2];\n\n! formaldehyde production and loss\nIRR_OUTPUT HCHOprod_tot = PROD[HCHO];\nIRR_OUTPUT HCHOprod_bio = PROD[HCHO] FROM [BIO_VOC]\n+ PROD[HCHO] FROM [BIO_RO2S] + PROD[HCHO] FROM [ISOPRENE_VOC];\nIRR_OUTPUT LOSS_HCHO = LOSS[HCHO];\n\n!production and loss for acetaldehyde and acrolein\nIRR_OUTPUT PROD_CH3CHO = PROD[ACD];\nIRR_OUTPUT PROD_ACROLEIN = PROD[ACRO];\nIRR_OUTPUT LOSS_ACD = LOSS[ACD];\nIRR_OUTPUT LOSS_ACRO = LOSS[ACRO];\n\n! organic nitrate pathways\n!\nIRR_OUTPUT ORGNO3prod = NETP[ORG_NO3];\nIRR_OUTPUT ORGNO3viaISO = PROD[ORG_NO3] FROM [ISOP];\nIRR_OUTPUT ORGNO3viaTERP = PROD[TRPN]+PROD[HONIT];\nIRR_OUTPUT ISONprod = PROD[ISON];\nIRR_OUTPUT TERPNO2fromTERP = PROD[SESQNRO2] FROM [SESQ]\n+ PROD[APINP1] FROM [API] + PROD[APINP2] FROM [API] \n + PROD[LIMALP] FROM [LIMAL]+ PROD[LIMNP1] FROM [LIMAL]\n + PROD[LIMNP2] FROM [LIMAL] \n + PROD[LIMP1] FROM [LIM] + PROD[LIMP2] FROM [LIM];\n!SOA from isoprene\nIRR_OUTPUT SOAviaISOPRENE = PROD[ISOPRENE_SOA];\n\nENDPA;\n" }, { "path": "CCTM/src/MECHS/mechanism_information/cb6r3_ae7_aq/AE7_species_table.md", "content": "**The AE namelist for cb6r3_ae7_aq has the following aerosol species.**\n\n| **Model Species** | **Name** | **Molecular Weight** | **Explicit or Lumped** |\n| ----------------- | ---------------------------------------------------- | -------------------- | ---------------------- |\n| AAL | Aluminum | 27 | E |\n| AAVB1 | low volatility organic particulate matter from oxidation of anthropogenic VOCs | 198.0 | L |\n| AAVB2 | semivolailte organic particulate matter from oxidation of anthropogenic VOCs | 179.0 | L |\n| AAVB3 | semivolailte organic particulate matter from oxidation of anthropogenic VOCs | 169.0 | L |\n| AAVB4 | semivolailte organic particulate matter from oxidation of anthropogenic VOCs | 158.0 | L |\n| ACA | Calcium | 40.1 | E |\n| ACL | Chloride | 35.5 | E |\n| ACORS | Anthropogenic Coarse-mode particle mass | 100.0 | L |\n| AEC | Elemental Carbon | 12 | E |\n| AFE | Iron | 55.8 | E |\n| AGLY | Glyoxal and Methylglyoxal SOA | 66.4 | L |\n| AH2O | Water | 18 | E |\n| AH3OP | Hydronium Ion | 19 | E |\n| AISO1 | Semivolatile SOA Product from Isoprene | 132.0 | L |\n| AISO2 | High-Volatility SOA Product from Isoprene | 133.0 | L |\n| AISO3 | Acid-Catalyzed Isoprene SOA compounds | 168.2 | L |\n| AIVPO1 | Intermediate Volatility Primary Organic Compounds | 266 | L |\n| AK | Potassium | 39.1 | E |\n| ALVOO1 | Low Volatility Oxidized Combustion Organic Compounds | 136 | L |\n| ALVOO2 | Low Volatility Oxidized Combustion Organic Compounds | 136 | L |\n| ALVPO1 | Low Volatility Primary Organic Compounds | 218 | L |\n| AMG | Magnesium | 24.3 | E |\n| AMN | Manganese | 54.9 | E |\n| AMT1 | low volatility particulate matter from monoterpene photoxidation, C*=0.01 ug/m3 | 200.0 | L |\n| AMT2 | low volatility particulate matter from monoterpene photoxidation, C*=0.1 ug/m3 | 300.0 | L |\n| AMT3 | semivolailte particulate matter from monoterpene photoxidation, C*=1 ug/m3 | 186.0 | L |\n| AMT4 | semivolatile particulate matter from monoterpene photoxidation, C*=10 ug/m3 | 184.0 | L |\n| AMT5 | semivolatile particulate matter from monoterpene photoxidation, C*=100 ug/m3 | 170.0 | L |\n| AMT6 | semivolatile particulate matter from monoterpene photoxidation, C*=1000 ug/m3 | 168.0 | L |\n| AMTNO3J | semivolatile organic nitrates from monoterpene oxidation (Should not to be included for tracking nitrogen) | 231.0 | L |\n| AMTHYDJ | organic pseudo-hydrolysis accretion product from monoterpene organic nitrates (AMTNO3J) | 168.0| L |\n| ANA | Sodium | 23 | E |\n| ANH4 | Ammonium | 18 | E |\n| ANO3 | Nitrate | 62 | E |\n| AOLGA | Oligomer products of anthropogenic SOA compounds | 206.0 | L |\n| AOLGB | Oligomer products of biogenic SOA compounds | 248.0 | L |\n| AORGC | Glyoxal and Methylglyoxal SOA | 177.0 | L |\n| AORGH2O | Water associated with organic species of particulate matter | 18.0 | E |\n| AOTHR | Other Particulate Mass | 200 | L |\n| APCSO | Potential Combustion SOA | 170 | L |\n| APNCOM | Non-Carbon Organic Matter associated with APOC | 220.0 | L |\n| APOC | Primary Organic Carbon | 220.0 | L |\n| ASEACAT | Sea spray cations | 23.75 | L |\n| ASI | Silicon | 28.1 | E |\n| ASO4 | Sulfate | 96 | E |\n| ASOIL | Lumped crustal species | 100.0 | L |\n| ASQT | Semivolatile SOA Product from Sesquiterpenes | 273.0 | L |\n| ASVOO1 | Semivolatile Oxidized Combustion Organic Compounds | 135 | L |\n| ASVOO2 | Semivolatile Oxidized Combustion Organic Compounds | 135 | L |\n| ASVOO3 | Semivolatile Oxidized Combustion Organic Compounds | 134 | L |\n| ASVPO1 | Semivolatile Primary Organic Compounds | 230 | L |\n| ASVPO2 | Semivolatile Primary Organic Compounds | 241 | L |\n| ASVPO3 | Semivolatile Primary Organic Compounds | 253 | L |\n| ATI | Titanium | 47.9 | E |\n| NUMACC | Accum. Mode Number Conc | NA | NA |\n| NUMAIT | Aitken Mode Number Conc | NA | NA |\n| NUMCOR | Coarse Mode Number Conc | NA | NA |\n| SRFACC | Accum. Mode Surface Area Conc | NA | NA |\n| SRFAIT | Aitken Mode Surface Area Conc | NA | NA |\n| SRFCOR | Coarse Mode Surface Area Conc | NA | NA |\n\nNote that for each aerosol mass species, a letter will be appended to the names below in order to designate the size, or mode, of the aerosol being represented: I = Aitken mode, J = Accumulation mode, K = Coarse mode. \n" }, { "path": "CCTM/src/MECHS/mechanism_information/cb6r3_ae7_aq/NR7_species_table.md", "content": "**The NR namelist for cb6r3_ae7_aq has the following gas phase species.**\n\n| **Model Species** | **Name** | **Molecular Weight** | **Explicit or Lumped** |\n| ----------------- | ---------------------------------------------------- | -------------------- | ---------------------- |\n| LVPCSOG | surrogate SOA precursor gas for combustion/anthropogenic sources | 170.0 | L | \n| NH3 | ammonia | 17.0 | E | \n| SVMT1 | low volatility gas from monoterpene photoxidation | 300.0 | L |\n| SVMT2 | low volatility gas from monoterpene photoxidation | 200.0 | L |\n| SVMT3 | semivolatile gas from monoterpene photoxidation | 186.0 | L |\n| SVMT4 | semivolatile gas from monoterpene photoxidation | 184.0 | L |\n| SVMT5 | semivolatile gas from monoterpene photoxidation | 170.0 | L |\n| SVMT6 | semivolatile gas from monoterpene photoxidation | 168.0 | L |\n| SVISO1 | semivolatile gas of secondary aerosol material from isoprene | 132.0 | L | \n| SVISO2 | semivolatile gas of secondary aerosol material from isoprene | 133.0 | L | \n| SVSQT | semivolatile gas of secondary aerosol material from sesquiterpenes | 273.0 | L | \n" }, { "path": "CCTM/src/MECHS/mechanism_information/cb6r3_ae7_aq/cb6r3_ae7_aq_species_table.md", "content": "**The GC namelist for cb6r3_ae7_aq has the following gas phase species.**\n\n| **Model Species** | **Definition** | **Molecular Weight** | **Explicit or Lumped** |\n| ----------------- | ---------------------------------------------------------------------------- | -------------------- | ---------------------- |\n| AACD | acetic acid | 60 | E |\n| ACET | acetone | 58.1 | E |\n| ACRO_PRIMARY | acrolein from emissions only | 56.1 | E |\n| ACROLEIN | acrolein | 56.1 | E |\n| ALD2 | acetaldehyde | 44 | E |\n| ALD2_PRIMARY | acetaldehyde from emissions only | 44 | E |\n| ALDX | aldehydes with 3 or more carbons | 58.1 | L |\n| APIN | alpha pinene | 136.2 | E |\n| BENZENE | benzene | 78.1 | E |\n| BENZRO2 | counter species for aerosol from benzene+OH | 127 | L |\n| BUTADIENE13 | 1,3-butadiene | 54 | E |\n| BZO2 | peroxy radical from benzene reactions with OH | 159.1 | L |\n| C2O3 | acetylperoxy radical | 75 | E |\n| CAT1 | methyl catechols | 124.1 | L |\n| CL | atomic chlorine | 35.5 | E |\n| CL2 | molecular chlorine | 71 | E |\n| CLNO2 | nitryl chloride | 81.5 | E |\n| CLNO3 | chlorine nitrate | 97.5 | E |\n| CLO | chlorine monoxide | 51.5 | E |\n| CO | carbon monoxide | 28 | E |\n| CRES | cresol and higher molecular weight phenols | 108.1 | L |\n| CRO | alkoxy radical from cresol | 107.1 | L |\n| CRON | nitro-cresols | 153.1 | L |\n| CXO3 | acetylperoxy radicals with 3 or more carbons | 89 | L |\n| ECH4 | methane | 16 | E |\n| EPOX | isoprene epoxydiol | 118.1 | L |\n| EPX2 | peroxy radical from EPOX+OH reaction | 149.1 | L |\n| ETH | ethene | 28 | E |\n| ETHA | ethane | 30.1 | E |\n| ETHY | ethyne (acetylene) | 26 | E |\n| ETOH | ethanol | 46.1 | E |\n| FACD | formic acid | 46 | E |\n| FMCL | formylchloride | 64.5 | E |\n| FORM | formaldehyde | 30 | E |\n| FORM_PRIMARY | formaldehyde from emissions only | 30 | E |\n| GLY | glyoxal | 58 | E |\n| GLYD | glycoaldehyde (hydroxyacetaldehyde) | 60 | E |\n| H2NO3PIJ | tracer producing HNO3 or ClNO2 from N2O5 in fine mode aerosols | 64 | E |\n| H2NO3PK | tracer producing HNO3 or ClNO2 from N2O5 in coarse mode aerosols | 64 | E |\n| H2O2 | hydrogen peroxide | 34 | E |\n| HCL | hydrochloric acid | 36.5 | E |\n| HCO3 | radical from HO2 reactions with formaldehyde | 63 | E |\n| HG | elemental mercury | 200.6 | E |\n| HGIIAER | precursor of aerosol divalent mercury | 200.6 | E |\n| HGIIGAS | divalent mercury | 271.5 | E |\n| HNO3 | nitric acid | 63 | E |\n| HO2 | hydroperoxy radical | 33 | E |\n| HOCL | hypochlorous acid | 52.5 | E |\n| HONO | nitrous acid | 47 | E |\n| HPLD | hydroperoxyaldehyde from ISO2 isomerization | 116.1 | L |\n| INTR | nitrate from isoprene | 147.1 | L |\n| IOLE | internal alkene bond | 56.1 | L |\n| ISO2 | isoprene peroxy radical | 117.1 | L |\n| ISOP | isoprene | 68.1 | E |\n| ISOPRXN | counter species for aerosol from isoprene, volatility pathways | 68.1 | L |\n| ISPD | isoprene reaction products (methacrolein, methylvinyl ketone, others) | 70.1 | L |\n| ISPX | hydroperoxide from ISO2 reaction with HO2 | 118.1 | L |\n| KET | carbon-ketone bond | 72.1 | L |\n| MEO2 | methylperoxy radical | 47 | E |\n| MEOH | methanol | 32 | E |\n| MEPX | methylhydroperoxide | 48 | E |\n| MGLY | methyl glyoxal | 72 | E |\n| MMTNO3 | organic nitrates from monoterpene oxidation (Should not to be included for tracking nitrogen) | 231.0 | L |\n| N2O5 | dinitrogen pentoxide | 108 | E |\n| NAPH | naphthalene | 128.2 | E |\n| NO | nitric oxide | 30 | E |\n| NO2 | nitrogen dioxide | 46 | E |\n| NO3 | nitrate radical | 62 | E |\n| NTR1 | monofunctional organic nitrates | 119.1 | L |\n| NTR2 | multifunctional organic nitrates | 135.1 | L |\n| O | ground-state oxygen atoms, O(3P) | 16 | E |\n| O1D | electronically excited oxygen atoms, O(1D) | 16 | E |\n| O3 | ozone | 48 | E |\n| OH | hydroxyl radical | 17 | E |\n| OLE | terminal alkene bond | 42.1 | L |\n| OPAN | peroxyacylnitrate from OPO3 | 161 | L |\n| OPEN | aromatic ring opening product (an alkene and aldehyde) | 84 | L |\n| OPO3 | peroxyacyl radical from OPEN | 115 | L |\n| PACD | peroxycarboxylic acids | 76 | L |\n| PAHRO2 | counter species for aerosol from NAPH+OH | 187.2 | L |\n| PAN | peroxyacylnitrate | 121 | E |\n| PANX | peroxyacylnitrates with 3 or more carbons | 135 | L |\n| PAR | carbon-carbon single bond | 14.0 | L |\n| PCSOARXN | counter species for potential aerosol from combustion (from PCVOC reactions) | 170 | L |\n| PCVOC | tracer for potential combustion SOA VOCs | 170 | L |\n| PNA | peroxynitric acid | 79 | E |\n| PRPA | propane | 44.1 | E |\n| RO2 | total peroxy radical concentration | 87.1 | L |\n| ROOH | methylhydroperoxide | 90.1 | E |\n| ROR | secondary alkoxy radical | 71.1 | L |\n| SESQ | sesquiterpenes | 204 | L |\n| SESQRXN | counter species for aerosol from sesquiterpenes | 204 | L |\n| SO2 | sulfur dioxide | 64 | E |\n| SOAALK | tracer for alkanes that can form secondary organic aerosol | 112 | L |\n| SULF | sulfuric acid (gaseous) | 98 | E |\n| SULRXN | sulfate aerosol precursor | 98 | E |\n| SVAVB1\t | low volatility organic gas from oxidation of anthropogenic VOCs | 179.0 | L |\n| SVAVB2 | semivolatile organic gas from oxidation of anthropogenic VOCs | 169.0 | L |\n| SVAVB3 | semivolatile organic gas from oxidation of anthropogenic VOCs | 158.0 | L |\n| SVAVB4 | semivolatile organic gas from oxidation of anthropogenic VOCs | 198.0 | L |\n| TERP | monoterpenes | 136.2 | L |\n| TERPNRO2 | counter species for aerosol from TERP + NO3 | 197.0 | L |\n| TO2 | toluene peroxy radical | 173.1 | L |\n| TOL | toluene and other monoalkyl aromatics | 92.1 | L |\n| TOLRO2 | counter species for aerosol from TOL+OH | 141 | L |\n| TOLU | toluene | 92 | E |\n| TRPRXN | counter species for aerosol precursor from monoterpenes | 136.2 | L |\n| VIVPO1 | evaporated primary organic aerosol, intermed-volatility | 266 | L |\n| VLVOO1 | evaporated secondary organic aerosol, low-volatility, cat 1 | 136 | L |\n| VLVOO2 | evaporated secondary organic aerosol, low-volatility, cat 2 | 136 | L |\n| VLVPO1 | evaporated primary organic aerosol, low-volatility | 218 | L |\n| VSVOO1 | evaporated secondary organic aerosol, semi-volatile, cat 1 | 135 | L |\n| VSVOO2 | evaporated secondary organic aerosol, semi-volatile, cat 2 | 135 | L |\n| VSVOO3 | evaporated secondary organic aerosol, semi-volatile, cat 3 | 134 | L |\n| VSVPO1 | evaporated primary organic aerosol, semi-volatile, cat 1 | 230 | L |\n| VSVPO2 | evaporated primary organic aerosol, semi-volatile, cat 2 | 241 | L |\n| VSVPO3 | evaporated primary organic aerosol, semi-volatile, cat 3 | 253 | L |\n| XLO2 | peroxy radical from XYLMN+OH reaction | 187.1 | L |\n| XO2 | NO oxidation to NO2 via peroxy radical | 87.1 | L |\n| XO2H | NO oxidation to NO2 with HO2 production, from alkoxy radicals | 87.1 | L |\n| XO2N | nitrate production from NO reaction with peroxy radical | 87.1 | L |\n| XOPN | product of aromatic ring-opening reaction | 98.1 | L |\n| XPAR | organic nitrate production from PAR | 117.1 | L |\n| XPRP | organic nitrate production from PRPA | 89.1 | L |\n| XYLMN | xylene and other polyalkyl aromatics except naphthalene | 106.2 | L |\n| XYLRO2 | counter species for aerosol from XYLMN+OH | 155 | L |\n\n\n**The AE namelist for cb6r3_ae7_aq has the following aerosol species.**\n\n| **Model Species** | **Definition** | **Molecular Weight** | **Explicit or Lumped** |\n| ----------------- | ---------------------------------------------------- | -------------------- | ---------------------- |\n| AAL | Aluminum | 27 | E |\n| AAVB1 | low volatility organic particulate matter from oxidation of anthropogenic VOCs | 198.0 | L |\n| AAVB2 | semivolailte organic particulate matter from oxidation of anthropogenic VOCs | 179.0 | L |\n| AAVB3 | semivolailte organic particulate matter from oxidation of anthropogenic VOCs | 169.0 | L |\n| AAVB4 | semivolailte organic particulate matter from oxidation of anthropogenic VOCs | 158.0 | L |\n| ACA | Calcium | 40.1 | E |\n| ACL | Chloride | 35.5 | E |\n| ACORS | Anthropogenic Coarse-mode particle mass | 100.0 | L |\n| AEC | Elemental Carbon | 12 | E |\n| AFE | Iron | 55.8 | E |\n| AGLY | Glyoxal and Methylglyoxal SOA in aqueous aerosol material | 66.4 | L |\n| AH2O | Water | 18 | E |\n| AH3OP | Hydronium Ion | 19 | E |\n| AISO1 | Semivolatile SOA Product from Isoprene | 132.0 | L |\n| AISO2 | High-Volatility SOA Product from Isoprene | 133.0 | L |\n| AISO3 | Acid-catalyzed Isoprene Epoxydiol SOA | 168.2 | L |\n| AIVPO1 | Intermediate Volatility Primary Organic Compounds | 266 | L |\n| AK | Potassium | 39.1 | E |\n| ALVOO1 | Low Volatility Oxidized Combustion Organic Compounds | 136 | L |\n| ALVOO2 | Low Volatility Oxidized Combustion Organic Compounds | 136 | L |\n| ALVPO1 | Low Volatility Primary Organic Compounds | 218 | L |\n| AMG | Magnesium | 24.3 | E |\n| AMN | Manganese | 54.9 | E |\n| AMT1 | low volatility particulate matter from monoterpene photoxidation, C*=0.01 ug/m3 | 200.0 | L |\n| AMT2 | low volatility particulate matter from monoterpene photoxidation, C*=0.1 ug/m3 | 300.0 | L |\n| AMT3 | semivolailte particulate matter from monoterpene photoxidation, C*=1 ug/m3 | 186.0 | L |\n| AMT4 | semivolatile particulate matter from monoterpene photoxidation, C*=10 ug/m3 | 184.0 | L |\n| AMT5 | semivolatile particulate matter from monoterpene photoxidation, C*=100 ug/m3 | 170.0 | L |\n| AMT6 | semivolatile particulate matter from monoterpene photoxidation, C*=1000 ug/m3 | 168.0 | L |\n| AMTNO3J | semivolatile organic nitrates from monoterpene oxidation (Should not to be included for tracking nitrogen) | 231.0 | L |\n| AMTHYDJ | organic pseudo-hydrolysis accretion product from monoterpene organic nitrates (AMTNO3J) | 168.0| L |\n| ANA | Sodium | 23 | E |\n| ANH4 | Ammonium | 18 | E |\n| ANO3 | Nitrate | 62 | E |\n| AOLGA | Oligomer products of anthropogenic SOA compounds | 206.0 | L |\n| AOLGB | Oligomer products of biogenic SOA compounds | 248.0 | L |\n| AORGC | Glyoxal and methylglyoxal SOA produced in cloud water | 177.0 | L |\n| AORGH2O | Water associated with organic species of particulate matter | 18.0 | E |\n| AOTHR | Other Particulate Mass | 200 | L |\n| APCSO | Potential Combustion SOA | 170 | L |\n| APNCOM | Non-Carbon Organic Matter associated with APOC | 220.0 | L |\n| APOC | Primary Organic Carbon | 220.0 | L |\n| ASEACAT | Sea spray cations | 23.75 | L |\n| ASI | Silicon | 28.1 | E |\n| ASO4 | Sulfate | 96 | E |\n| ASOIL | Lumped crustal species | 100.0 | L |\n| ASQT | Semivolatile SOA Product from Sesquiterpenes | 273.0 | L |\n| ASVOO1 | Semivolatile Oxidized Combustion Organic Compounds | 135 | L |\n| ASVOO2 | Semivolatile Oxidized Combustion Organic Compounds | 135 | L |\n| ASVOO3 | Semivolatile Oxidized Combustion Organic Compounds | 134 | L |\n| ASVPO1 | Semivolatile Primary Organic Compounds | 230 | L |\n| ASVPO2 | Semivolatile Primary Organic Compounds | 241 | L |\n| ASVPO3 | Semivolatile Primary Organic Compounds | 253 | L |\n| ATI | Titanium | 47.9 | E |\n| NUMACC | Accum. Mode Number Conc | NA | NA |\n| NUMAIT | Aitken Mode Number Conc | NA | NA |\n| NUMCOR | Coarse Mode Number Conc | NA | NA |\n| SRFACC | Accum. Mode Surface Area Conc | NA | NA |\n| SRFAIT | Aitken Mode Surface Area Conc | NA | NA |\n| SRFCOR | Coarse Mode Surface Area Conc | NA | NA |\n\nNote that for each aerosol mass species, a letter will be appended to the names below in order to designate the size, or mode, of the aerosol being represented: I = Aitken mode, J = Accumulation mode, K = Coarse mode. \n\n**The NR namelist for cb6r3_ae7_aq has the following gas phase species.**\n\n| **Model Species** | **Definition** | **Molecular Weight** | **Explicit or Lumped** |\n| ----------------- | ---------------------------------------------------- | -------------------- | ---------------------- |\n| LVPCSOG | surrogate SOA precursor gas for combustion/anthropogenic sources | 170.0 | L | \n| NH3 | ammonia | 17.0 | E | \n| SVMT1 | low volatility gas from monoterpene photoxidation | 300.0 | L |\n| SVMT2 | low volatility gas from monoterpene photoxidation | 200.0 | L |\n| SVMT3 | semivolatile gas from monoterpene photoxidation | 186.0 | L |\n| SVMT4 | semivolatile gas from monoterpene photoxidation | 184.0 | L |\n| SVMT5 | semivolatile gas from monoterpene photoxidation | 170.0 | L |\n| SVMT6 | semivolatile gas from monoterpene photoxidation | 168.0 | L |\n| SVISO1 | semivolatile gas of secondary aerosol material from isoprene | 132.0 | L | \n| SVISO2 | semivolatile gas of secondary aerosol material from isoprene | 133.0 | L | \n| SVSQT | semivolatile gas of secondary aerosol material from sesquiterpenes | 273.0 | L | \n" }, { "path": "CCTM/src/MECHS/mechanism_information/cb6r3_ae7_aq/mech_cb6r3_ae7_aq.md", "content": "Information is based on the mech.def file.\n* Fall-off or pressure dependent reaction rate constants (M equals air number density):\n * For rate constants with ko, ki, n, F values: k = [ koM/(1+koM/ki)]FG, where G=(1+(log10(koM/ki)/n)2))-1 \n * For rate constants with k1, k2: k = k1 + k2M\n * For rate constants with k0, k2, k3: k = k0 + k3M/(1+k3M/k2)\n * For rate constants with k1, k2, k3: k = k1 + k2M + k3 \n\n* For rate constants with the form A<_Reference_>, k equals A times a reference that represents photolysis rate, a heteorogeneous rate constant, rate constant for the given reaction or an operator. A equals one if not given.\n\n* In the mechanism definition file, the rate is formatted as\n * A~<_HETEOROGENEOUS_>\n * A*K<_REACTION_>\n * A/<_PHOTOLYSIS_>\n * A?<_OPERATOR_>\n\n|Label|Reaction |Rate Constant Formula| Value
molecules/(sec*cm3)| \n|:---|:-------------------|:--------------------|:----:| \n| R1 | NO2 ----> NO + O | NO2_IUPAC10 | Not Available1 | \n| R2 | O + O2 + M ----> O3 | 5.68E-34(T/300) -2.60 | 5.7721E-34 |\n| R3 | O3 + NO ----> NO2 | 1.40E-12e -1310.00/T | 1.7296E-14 |\n| R4 | O + NO + M ----> NO2 | 1.00E-31(T/300) -1.60 | 1.0099E-31 |\n| R5 | O + NO2 ----> NO | 5.50E-12e 188.00/T | 1.0333E-11 |\n| R6 | O + NO2 ----> NO3 | ko= 1.30E-31e 0.0/T(T/300) -1.50
ki = 2.30E-11e 0.0/T(T/300) 0.24
n= 1.00;F= 0.60 | 2.1061E-12 |\n| R7 | O + O3 ----> | 8.00E-12e -2060.00/T | 7.9879E-15 |\n| R8 | O3 ----> O | O3_O3P_IUPAC10 | Not Available1 | \n| R9 | O3 ----> O1D | O3_O1D_IUPAC10 | Not Available1 | \n| R10 | O1D + M ----> O | 2.23E-11e 115.00/T | 3.2796E-11 |\n| R11 | O1D + H2O ----> 2.000\\*OH | 2.1400E-10 | 2.1400E-10 |\n| R12 | O3 + OH ----> HO2 | 1.70E-12e -940.00/T | 7.2647E-14 |\n| R13 | O3 + HO2 ----> OH | 2.03E-16e 693.00/T(T/300) 4.57 | 2.0168E-15 |\n| R14 | OH + O ----> HO2 | 2.40E-11e 110.00/T | 3.4709E-11 |\n| R15 | HO2 + O ----> OH | 2.70E-11e 224.00/T | 5.7233E-11 |\n| R16 | OH + OH ----> O | 6.20E-14e 945.00/T(T/300) 2.60 | 1.4519E-12 |\n| R17 | OH + OH ----> H2O2 | ko= 6.90E-31e 0.0/T(T/300) -0.80
ki = 2.60E-11e 0.0/T(T/300) 0.00
n= 1.13;F= 0.50 | 5.2439E-12 |\n| R18 | OH + HO2 ----> | 4.80E-11e 250.00/T | 1.1102E-10 |\n| R19 | HO2 + HO2 ----> H2O2 | k0= 2.20E-13e 600.0/T
k1= 1.90E-33e 980.0/T | 2.8975E-12 |\n| R20 | HO2 + HO2 + H2O ----> H2O2 | k0= 3.08E-34e 2800.0/T
k1= 2.66E-54e 3180.0/T | 6.4973E-30 |\n| R21 | H2O2 ----> 2.000\\*OH | H2O2_IUPAC10 | Not Available1 | \n| R22 | H2O2 + OH ----> HO2 | 2.90E-12e -160.00/T | 1.6957E-12 |\n| R23 | H2O2 + O ----> OH + HO2 | 1.40E-12e -2000.00/T | 1.7095E-15 |\n| R24 | NO + NO + O2 ----> 2.000\\*NO2 | 3.30E-39e 530.00/T | 1.9522E-38 |\n| R25 | HO2 + NO ----> OH + NO2 | 3.45E-12e 270.00/T | 8.5332E-12 |\n| R26 | NO2 + O3 ----> NO3 | 1.40E-13e -2470.00/T | 3.5339E-17 |\n| R27 | NO3 ----> NO2 + O | NO3NO2_06 | Not Available1 | \n| R28 | NO3 ----> NO | NO3NO_06 | Not Available1 | \n| R29 | NO3 + NO ----> 2.000\\*NO2 | 1.80E-11e 110.00/T | 2.6032E-11 |\n| R30 | NO3 + NO2 ----> NO + NO2 | 4.50E-14e -1260.00/T | 6.5744E-16 |\n| R31 | NO3 + O ----> NO2 | 1.7000E-11 | 1.7000E-11 |\n| R32 | NO3 + OH ----> HO2 + NO2 | 2.0000E-11 | 2.0000E-11 |\n| R33 | NO3 + HO2 ----> OH + NO2 | 4.0000E-12 | 4.0000E-12 |\n| R34 | NO3 + O3 ----> NO2 | 1.0000E-17 | 1.0000E-17 |\n| R35 | NO3 + NO3 ----> 2.000\\*NO2 | 8.50E-13e -2450.00/T | 2.2944E-16 |\n| R36 | NO3 + NO2 ----> N2O5 | ko= 3.60E-30e 0.0/T(T/300) -4.10
ki = 1.90E-12e 0.0/T(T/300) 0.20
n= 1.33;F= 0.35 | 1.2406E-12 |\n| R37 | N2O5 ----> NO3 + NO2 | ko= 1.30E-03e-11000.0/T(T/300) -3.50
ki = 9.70E+14e-11080.0/T(T/300) 0.10
n= 1.33;F= 0.35 | 4.5396E-02 |\n| R38 | N2O5 ----> NO2 + NO3 | N2O5_IUPAC10 | Not Available1 | \n| R39 | N2O5 + H2O ----> 2.000\\*HNO3 | 1.0000E-22 | 1.0000E-22 |\n| R40 | NO + OH ----> HONO | ko= 7.40E-31e 0.0/T(T/300) -2.40
ki = 3.30E-11e 0.0/T(T/300) -0.30
n= 0.87;F= 0.81 | 9.7627E-12 |\n| R41 | NO + NO2 + H2O ----> 2.000\\*HONO | 5.0000E-40 | 5.0000E-40 |\n| R42 | HONO + HONO ----> NO + NO2 | 1.0000E-20 | 1.0000E-20 |\n| R43 | HONO ----> NO + OH | HONO_IUPAC10 | Not Available1 | \n| R44 | HONO + OH ----> NO2 | 2.50E-12e 260.00/T | 5.9795E-12 |\n| R45 | NO2 + OH ----> HNO3 | ko= 1.80E-30e 0.0/T(T/300) -3.00
ki = 2.80E-11e 0.0/T(T/300) 0.00
n= 1.00;F= 0.60 | 1.0589E-11 |\n| R46 | HNO3 + OH ----> NO3 | k0= 2.40E-14e 460.0/T
k1= 2.70E-17e 2199.0/T
k3= 6.50E-34e 1335.0/T | 1.5409E-13 |\n| R47 | HNO3 ----> OH + NO2 | HNO3_IUPAC10 | Not Available1 | \n| R48 | HO2 + NO2 ----> PNA | ko= 1.80E-31e 0.0/T(T/300) -3.20
ki = 4.70E-12e 0.0/T(T/300) 0.00
n= 1.00;F= 0.60 | 1.3826E-12 |\n| R49 | PNA ----> HO2 + NO2 | ko= 4.10E-05e-10650.0/T(T/300) 0.00
ki = 4.80E+15e-11170.0/T(T/300) 0.00
n= 1.00;F= 0.60 | 8.4618E-02 |\n| R50 | PNA ----> 0.590\\*HO2 + 0.590\\*NO2 + 0.410\\*OH + 0.410\\*NO3 | PNA_IUPAC10 | Not Available1 | \n| R51 | PNA + OH ----> NO2 | 3.20E-13e 690.00/T | 3.2376E-12 |\n| R52 | SO2 + OH ----> SULF + HO2 + SULRXN | ko= 4.50E-31e 0.0/T(T/300) -3.90
ki = 1.30E-12e 0.0/T(T/300) -0.70
n= 1.10;F= 0.53 | 8.1103E-13 |\n| R53 | C2O3 + NO ----> NO2 + MEO2 + RO2 | 7.50E-12e 290.00/T | 1.9837E-11 |\n| R54 | C2O3 + NO2 ----> PAN | ko= 2.70E-28e 0.0/T(T/300) -7.10
ki = 1.20E-11e 0.0/T(T/300) -0.90
n= 1.41;F= 0.30 | 9.3892E-12 |\n| R55 | PAN ----> NO2 + C2O3 | ko= 4.90E-03e-12100.0/T(T/300) 0.00
ki = 5.40E+16e-13830.0/T(T/300) 0.00
n= 1.41;F= 0.30 | 3.0541E-04 |\n| R56 | PAN ----> 0.600\\*NO2 + 0.600\\*C2O3 + 0.400\\*NO3 + 0.400\\*MEO2 + 0.400\\*RO2 | PAN_IUPAC10 | Not Available1 | \n| R57 | C2O3 + HO2 ----> 0.410\\*PACD + 0.150\\*AACD + 0.150\\*O3 + 0.440\\*MEO2 + 0.440\\*RO2 + 0.440\\*OH | 5.20E-13e 980.00/T | 1.3916E-11 |\n| R58 | C2O3 + RO2 ----> C2O3 | 8.90E-13e 800.00/T | 1.3023E-11 |\n| R59 | C2O3 + C2O3 ----> 2.000\\*MEO2 + 2.000\\*RO2 | 2.90E-12e 500.00/T | 1.5514E-11 |\n| R60 | C2O3 + CXO3 ----> MEO2 + ALD2 + XO2H + 2.000\\*RO2 | 2.90E-12e 500.00/T | 1.5514E-11 |\n| R61 | CXO3 + NO ----> NO2 + ALD2 + XO2H + RO2 | 6.70E-12e 340.00/T | 2.0957E-11 |\n| R62 | CXO3 + NO2 ----> PANX | R54 | 9.3892E-127| \n| R63 | PANX ----> NO2 + CXO3 | R55 | 3.0541E-047| \n| R64 | PANX ----> 0.600\\*NO2 + 0.600\\*CXO3 + 0.400\\*NO3 + 0.400\\*ALD2 + 0.400\\*XO2H + 0.400\\*RO2 | PAN_IUPAC10 | Not Available1 | \n| R65 | CXO3 + HO2 ----> 0.410\\*PACD + 0.150\\*AACD + 0.150\\*O3 + 0.440\\*ALD2 + 0.440\\*XO2H + 0.440\\*RO2 + 0.440\\*OH | 5.20E-13e 980.00/T | 1.3916E-11 |\n| R66 | CXO3 + RO2 ----> 0.800\\*ALD2 + 0.800\\*XO2H + 0.800\\*RO2 | 8.90E-13e 800.00/T | 1.3023E-11 |\n| R67 | CXO3 + CXO3 ----> 2.000\\*ALD2 + 2.000\\*XO2H + 2.000\\*RO2 | 3.20E-12e 500.00/T | 1.7118E-11 |\n| R68 | RO2 + NO ----> NO | 2.40E-12e 360.00/T | 8.0278E-12 |\n| R69 | RO2 + HO2 ----> HO2 | 4.80E-13e 800.00/T | 7.0234E-12 |\n| R70 | RO2 + RO2 ----> | 6.50E-14e 500.00/T | 3.4772E-13 |\n| R71 | MEO2 + NO ----> FORM + HO2 + NO2 | 2.30E-12e 360.00/T | 7.6933E-12 |\n| R72 | MEO2 + HO2 ----> 0.900\\*MEPX + 0.100\\*FORM | 3.80E-13e 780.00/T | 5.1994E-12 |\n| R73 | MEO2 + C2O3 ----> FORM + 0.900\\*HO2 + 0.900\\*MEO2 + 0.100\\*AACD + 0.900\\*RO2 | 2.00E-12e 500.00/T | 1.0699E-11 |\n| R74 | MEO2 + RO2 ----> 0.685\\*FORM + 0.315\\*MEOH + 0.370\\*HO2 + RO2 | R70 | 3.4772E-137| \n| R75 | XO2H + NO ----> NO2 + HO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| R76 | XO2H + HO2 ----> ROOH | 6.80E-13e 800.00/T | 9.9498E-12 |\n| R77 | XO2H + C2O3 ----> 0.800\\*HO2 + 0.800\\*MEO2 + 0.200\\*AACD + 0.800\\*RO2 | R58 | 1.3023E-117| \n| R78 | XO2H + RO2 ----> 0.600\\*HO2 + RO2 | R70 | 3.4772E-137| \n| R79 | XO2 + NO ----> NO2 | R75 | 9.0313E-127| \n| R80 | XO2 + HO2 ----> ROOH | R76 | 9.9498E-127| \n| R81 | XO2 + C2O3 ----> 0.800\\*MEO2 + 0.200\\*AACD + 0.800\\*RO2 | R58 | 1.3023E-117| \n| R82 | XO2 + RO2 ----> RO2 | R70 | 3.4772E-137| \n| R83 | XO2N + NO ----> 0.500\\*NTR1 + 0.500\\*NTR2 | R75 | 9.0313E-127| \n| R84 | XO2N + HO2 ----> ROOH | R76 | 9.9498E-127| \n| R85 | XO2N + C2O3 ----> 0.800\\*HO2 + 0.800\\*MEO2 + 0.200\\*AACD + 0.800\\*RO2 | R58 | 1.3023E-117| \n| R86 | XO2N + RO2 ----> RO2 | R70 | 3.4772E-137| \n| R87 | MEPX + OH ----> 0.600\\*MEO2 + 0.600\\*RO2 + 0.400\\*FORM + 0.400\\*OH | 5.30E-12e 190.00/T | 1.0024E-11 |\n| R88 | MEPX ----> MEO2 + RO2 + OH | MEPX_IUPAC10 | Not Available1 | \n| R89 | ROOH + OH ----> 0.540\\*XO2H + 0.060\\*XO2N + 0.600\\*RO2 + 0.400\\*OH | 5.30E-12e 190.00/T | 1.0024E-11 |\n| R90 | ROOH ----> HO2 + OH | MEPX_IUPAC10 | Not Available1 | \n| R91 | NTR1 + OH ----> NTR2 | 2.0000E-12 | 2.0000E-12 |\n| R92 | NTR1 ----> NO2 | NTR_IUPAC10 | Not Available1 | \n| R93 | FACD + OH ----> HO2 | 4.5000E-13 | 4.5000E-13 |\n| R94 | AACD + OH ----> MEO2 + RO2 | 4.00E-14e 850.00/T | 6.9214E-13 |\n| R95 | PACD + OH ----> C2O3 | 5.30E-12e 190.00/T | 1.0024E-11 |\n| R96 | FORM + OH ----> HO2 + CO | 5.40E-12e 135.00/T | 8.4926E-12 |\n| R97 | FORM ----> 2.000\\*HO2 + CO | FORM_R_IUPAC10 | Not Available1 | \n| R98 | FORM ----> CO | FORM_M_IUPAC10 | Not Available1 | \n| R99 | FORM + O ----> OH + HO2 + CO | 3.40E-11e -1600.00/T | 1.5881E-13 |\n| R100 | FORM + NO3 ----> HNO3 + HO2 + CO | 5.5000E-16 | 5.5000E-16 |\n| R101 | FORM + HO2 ----> HCO3 | 9.70E-15e 625.00/T | 7.8916E-14 |\n| R102 | HCO3 ----> FORM + HO2 | 2.40E+12e -7000.00/T | 1.5268E+02 |\n| R103 | HCO3 + NO ----> FACD + NO2 + HO2 | 5.6000E-12 | 5.6000E-12 |\n| R104 | HCO3 + HO2 ----> 0.500\\*MEPX + 0.500\\*FACD + 0.200\\*OH + 0.200\\*HO2 | 5.60E-15e 2300.00/T | 1.2544E-11 |\n| R105 | ALD2 + O ----> C2O3 + OH | 1.80E-11e -1100.00/T | 4.4976E-13 |\n| R106 | ALD2 + OH ----> C2O3 | 4.70E-12e 345.00/T | 1.4950E-11 |\n| R107 | ALD2 + NO3 ----> C2O3 + HNO3 | 1.40E-12e -1860.00/T | 2.7340E-15 |\n| R108 | ALD2 ----> MEO2 + RO2 + CO + HO2 | ALD2_R_IUPAC10 | Not Available1 | \n| R109 | ALDX + O ----> CXO3 + OH | 1.30E-11e -870.00/T | 7.0255E-13 |\n| R110 | ALDX + OH ----> CXO3 | 4.90E-12e 405.00/T | 1.9060E-11 |\n| R111 | ALDX + NO3 ----> CXO3 + HNO3 | 6.3000E-15 | 6.3000E-15 |\n| R112 | ALDX ----> ALD2 + XO2H + RO2 + CO + HO2 | ALDX_R_IUPAC10 | Not Available1 | \n| R113 | GLYD + OH ----> 0.200\\*GLY + 0.200\\*HO2 + 0.800\\*C2O3 | 8.0000E-12 | 8.0000E-12 |\n| R114 | GLYD ----> 0.740\\*FORM + 0.890\\*CO + 1.400\\*HO2 + 0.150\\*MEOH + 0.190\\*OH + 0.110\\*GLY + 0.110\\*XO2H + 0.110\\*RO2 | GLYD_IUPAC10 | Not Available1 | \n| R115 | GLYD + NO3 ----> HNO3 + C2O3 | 1.40E-12e -1860.00/T | 2.7340E-15 |\n| R116 | GLY + OH ----> 1.800\\*CO + 0.200\\*XO2 + 0.200\\*RO2 + HO2 | 3.10E-12e 340.00/T | 9.6965E-12 |\n| R117 | GLY ----> 2.000\\*HO2 + 2.000\\*CO | GLY_R_IUPAC10 | Not Available1 | \n| R118 | GLY + NO3 ----> HNO3 + 1.500\\*CO + 0.500\\*XO2 + 0.500\\*RO2 + HO2 | 1.40E-12e -1860.00/T | 2.7340E-15 |\n| R119 | MGLY ----> C2O3 + HO2 + CO | MGLY_IUPAC10 | Not Available1 | \n| R120 | MGLY + NO3 ----> HNO3 + C2O3 + XO2 + RO2 | 1.40E-12e -1860.00/T | 2.7340E-15 |\n| R121 | MGLY + OH ----> C2O3 + CO | 1.90E-12e 575.00/T | 1.3071E-11 |\n| R122 | OH + H2 ----> HO2 | 7.70E-12e -2100.00/T | 6.7230E-15 |\n| R123 | CO + OH ----> HO2 | k0= 1.44E-13e 0.0/T
k1= 3.43E-33e 0.0/T | 2.2843E-13 |\n| R124 | OH + CH4 ----> MEO2 + RO2 | 1.85E-12e -1690.00/T | 6.3895E-15 |\n| R125 | ETHA + OH ----> 0.991\\*ALD2 + 0.991\\*XO2H + 0.009\\*XO2N + RO2 | 6.90E-12e -1000.00/T | 2.4111E-13 |\n| R126 | MEOH + OH ----> FORM + HO2 | 2.85E-12e -345.00/T | 8.9600E-13 |\n| R127 | ETOH + OH ----> 0.950\\*ALD2 + 0.900\\*HO2 + 0.100\\*XO2H + 0.100\\*RO2 + 0.078\\*FORM + 0.011\\*GLYD | 3.00E-12e 20.00/T | 3.2081E-12 |\n| R128 | KET ----> 0.500\\*ALD2 + 0.500\\*C2O3 + 0.500\\*XO2H + 0.500\\*CXO3 + 0.500\\*MEO2 + RO2 - 2.500\\*PAR | KET_IUPAC10 | Not Available1 | \n| R129 | ACET ----> 0.380\\*CO + 1.380\\*MEO2 + 1.380\\*RO2 + 0.620\\*C2O3 | ACET_IUPAC10 | Not Available1 | \n| R130 | ACET + OH ----> FORM + C2O3 + XO2 + RO2 | 1.41E-12e -620.60/T | 1.7589E-13 |\n| R131 | PRPA + OH ----> XPRP | 7.60E-12e -585.00/T | 1.0683E-12 |\n| R132 | PAR + OH ----> XPAR | 8.1000E-13 | 8.1000E-13 |\n| R133 | ROR ----> 0.200\\*KET + 0.420\\*ACET + 0.740\\*ALD2 + 0.370\\*ALDX + 0.040\\*XO2N + 0.940\\*XO2H + 0.980\\*RO2 + 0.020\\*ROR - 2.700\\*PAR | 5.70E+12e -5780.00/T | 2.1704E+04 |\n| R134 | ROR + O2 ----> KET + HO2 | 1.50E-14e -200.00/T | 7.6695E-15 |\n| R135 | ROR + NO2 ----> NTR1 | 8.60E-12e 400.00/T | 3.2897E-11 |\n| R136 | ETHY + OH ----> 0.700\\*GLY + 0.700\\*OH + 0.300\\*FACD + 0.300\\*CO + 0.300\\*HO2 | ko= 5.00E-30e 0.0/T(T/300) -1.50
ki = 1.00E-12e 0.0/T(T/300) 0.00
n= 1.30;F= 0.37 | 7.5233E-13 |\n| R137 | ETH + O ----> FORM + HO2 + CO + 0.700\\*XO2H + 0.700\\*RO2 + 0.300\\*OH | 1.04E-11e -792.00/T | 7.3010E-13 |\n| R138 | ETH + OH ----> XO2H + RO2 + 1.560\\*FORM + 0.220\\*GLYD | ko= 8.60E-29e 0.0/T(T/300) -3.10
ki = 9.00E-12e 0.0/T(T/300) -0.85
n= 1.15;F= 0.48 | 7.8392E-12 |\n| R139 | ETH + O3 ----> FORM + 0.510\\*CO + 0.160\\*HO2 + 0.160\\*OH + 0.370\\*FACD | 9.10E-15e -2580.00/T | 1.5883E-18 |\n| R140 | ETH + NO3 ----> 0.500\\*NO2 + 0.500\\*NTR1 + 0.500\\*XO2H + 0.500\\*XO2 + RO2 + 1.125\\*FORM | 3.30E-12e -2880.00/T | 2.1058E-16 |\n| R141 | OLE + O ----> 0.200\\*ALD2 + 0.300\\*ALDX + 0.100\\*HO2 + 0.200\\*XO2H + 0.200\\*CO + 0.200\\*FORM + 0.010\\*XO2N + 0.210\\*RO2 + 0.200\\*PAR + 0.100\\*OH | 1.00E-11e -280.00/T | 3.9097E-12 |\n| R142 | OLE + OH ----> 0.781\\*FORM + 0.488\\*ALD2 + 0.488\\*ALDX + 0.976\\*XO2H + 0.195\\*XO2 + 0.024\\*XO2N + 1.195\\*RO2 - 0.730\\*PAR | ko= 8.00E-27e 0.0/T(T/300) -3.50
ki = 3.00E-11e 0.0/T(T/300) -1.00
n= 1.13;F= 0.50 | 2.8547E-11 |\n| R143 | OLE + O3 ----> 0.295\\*ALD2 + 0.555\\*FORM + 0.270\\*ALDX + 0.150\\*XO2H + 0.150\\*RO2 + 0.334\\*OH + 0.080\\*HO2 + 0.378\\*CO + 0.075\\*GLY + 0.075\\*MGLY + 0.090\\*FACD + 0.130\\*AACD + 0.040\\*H2O2 - 0.790\\*PAR | 5.50E-15e -1880.00/T | 1.0044E-17 |\n| R144 | OLE + NO3 ----> 0.500\\*NO2 + 0.500\\*NTR1 + 0.480\\*XO2 + 0.480\\*XO2H + 0.040\\*XO2N + RO2 + 0.500\\*FORM + 0.250\\*ALD2 + 0.375\\*ALDX - PAR | 4.60E-13e -1155.00/T | 9.5576E-15 |\n| R145 | IOLE + O ----> 1.240\\*ALD2 + 0.660\\*ALDX + 0.100\\*XO2H + 0.100\\*RO2 + 0.100\\*CO + 0.100\\*PAR | 2.3000E-11 | 2.3000E-11 |\n| R146 | IOLE + OH ----> 1.300\\*ALD2 + 0.700\\*ALDX + XO2H + RO2 | 1.05E-11e 519.00/T | 5.9866E-11 |\n| R147 | IOLE + O3 ----> 0.732\\*ALD2 + 0.442\\*ALDX + 0.128\\*FORM + 0.245\\*CO + 0.500\\*OH + 0.300\\*XO2H + 0.300\\*RO2 + 0.240\\*GLY + 0.060\\*MGLY + 0.290\\*PAR + 0.080\\*AACD + 0.080\\*H2O2 | 4.70E-15e -1013.00/T | 1.5723E-16 |\n| R148 | IOLE + NO3 ----> 0.500\\*NO2 + 0.500\\*NTR1 + 0.480\\*XO2 + 0.480\\*XO2H + 0.040\\*XO2N + RO2 + 0.500\\*ALD2 + 0.625\\*ALDX + PAR | 3.7000E-13 | 3.7000E-13 |\n| R149 | ISOP + OH ----> ISO2 + RO2 + ISOPRXN | 2.70E-11e 390.00/T | 9.9873E-11 |\n| R150 | ISOP + O ----> 0.750\\*ISPD + 0.500\\*FORM + 0.250\\*XO2 + 0.250\\*RO2 + 0.250\\*HO2 + 0.250\\*CXO3 + 0.250\\*PAR | 3.0000E-11 | 3.0000E-11 |\n| R151 | ISO2 + NO ----> 0.100\\*INTR + 0.900\\*NO2 + 0.673\\*FORM + 0.900\\*ISPD + 0.818\\*HO2 + 0.082\\*XO2H + 0.082\\*RO2 | 2.39E-12e 365.00/T | 8.1296E-12 |\n| R152 | ISO2 + HO2 ----> 0.880\\*ISPX + 0.120\\*OH + 0.120\\*HO2 + 0.120\\*FORM + 0.120\\*ISPD | 7.43E-13e 700.00/T | 7.7737E-12 |\n| R153 | ISO2 + C2O3 ----> 0.598\\*FORM + ISPD + 0.728\\*HO2 + 0.072\\*XO2H + 0.800\\*MEO2 + 0.200\\*AACD + 0.872\\*RO2 | R58 | 1.3023E-117| \n| R154 | ISO2 + RO2 ----> 0.598\\*FORM + ISPD + 0.728\\*HO2 + 0.072\\*XO2H + 1.072\\*RO2 | R70 | 3.4772E-137| \n| R155 | ISO2 ----> HO2 + HPLD | 3.30E+09e -8300.00/T | 2.6821E-03 |\n| R156 | ISOP + O3 ----> 0.600\\*FORM + 0.650\\*ISPD + 0.150\\*ALDX + 0.200\\*CXO3 + 0.350\\*PAR + 0.266\\*OH + 0.200\\*XO2 + 0.200\\*RO2 + 0.066\\*HO2 + 0.066\\*CO | 1.03E-14e -1995.00/T | 1.2790E-17 |\n| R157 | ISOP + NO3 ----> 0.350\\*NO2 + 0.650\\*NTR2 + 0.640\\*XO2H + 0.330\\*XO2 + 0.030\\*XO2N + RO2 + 0.350\\*FORM + 0.350\\*ISPD + ISOPRXN | 3.03E-12e -448.00/T | 6.7433E-13 |\n| R158 | ISPD + OH ----> 0.022\\*XO2N + 0.521\\*XO2 + 0.115\\*MGLY + 0.115\\*MEO2 + 0.269\\*GLYD + 0.269\\*C2O3 + 0.457\\*OPO3 + 0.117\\*PAR + 0.137\\*ACET + 0.137\\*CO + 0.137\\*HO2 + 0.658\\*RO2 | 5.58E-12e 511.00/T | 3.0972E-11 |\n| R159 | ISPD + O3 ----> 0.040\\*ALD2 + 0.231\\*FORM + 0.531\\*MGLY + 0.170\\*GLY + 0.170\\*ACET + 0.543\\*CO + 0.461\\*OH + 0.150\\*FACD + 0.398\\*HO2 + 0.143\\*C2O3 | 3.88E-15e -1770.00/T | 1.0247E-17 |\n| R160 | ISPD + NO3 ----> 0.717\\*HNO3 + 0.142\\*NTR2 + 0.142\\*NO2 + 0.142\\*XO2 + 0.142\\*XO2H + 0.113\\*GLYD + 0.113\\*MGLY + 0.717\\*PAR + 0.717\\*CXO3 + 0.284\\*RO2 | 4.10E-12e -1860.00/T | 8.0066E-15 |\n| R161 | ISPD ----> 0.760\\*HO2 + 0.340\\*XO2H + 0.160\\*XO2 + 0.340\\*MEO2 + 0.208\\*C2O3 + 0.260\\*FORM + 0.240\\*OLE + 0.240\\*PAR + 0.170\\*ACET + 0.128\\*GLYD + 0.840\\*RO2 | ISPD | Not Available1 | \n| R162 | ISPX + OH ----> 0.904\\*EPOX + 0.933\\*OH + 0.067\\*ISO2 + 0.067\\*RO2 + 0.029\\*IOLE + 0.029\\*ALDX | 2.23E-11e 372.00/T | 7.7655E-11 |\n| R163 | HPLD ----> OH + ISPD | HPALD | Not Available1 | \n| R164 | HPLD + NO3 ----> HNO3 + ISPD | 6.00E-12e -1860.00/T | 1.1717E-14 |\n| R165 | EPOX + OH ----> EPX2 + RO2 | 5.78E-11e -400.00/T | 1.5110E-11 |\n| R166 | EPX2 + HO2 ----> 0.275\\*GLYD + 0.275\\*GLY + 0.275\\*MGLY + 1.125\\*OH + 0.825\\*HO2 + 0.375\\*FORM + 0.074\\*FACD + 0.251\\*CO + 2.175\\*PAR | 7.43E-13e 700.00/T | 7.7737E-12 |\n| R167 | EPX2 + NO ----> 0.275\\*GLYD + 0.275\\*GLY + 0.275\\*MGLY + 0.125\\*OH + 0.825\\*HO2 + 0.375\\*FORM + NO2 + 0.251\\*CO + 2.175\\*PAR | 2.39E-12e 365.00/T | 8.1296E-12 |\n| R168 | EPX2 + C2O3 ----> 0.220\\*GLYD + 0.220\\*GLY + 0.220\\*MGLY + 0.100\\*OH + 0.660\\*HO2 + 0.300\\*FORM + 0.200\\*CO + 1.740\\*PAR + 0.800\\*MEO2 + 0.200\\*AACD + 0.800\\*RO2 | R58 | 1.3023E-117| \n| R169 | EPX2 + RO2 ----> 0.275\\*GLYD + 0.275\\*GLY + 0.275\\*MGLY + 0.125\\*OH + 0.825\\*HO2 + 0.375\\*FORM + 0.251\\*CO + 2.175\\*PAR + RO2 | R70 | 3.4772E-137| \n| R170 | INTR + OH ----> 0.630\\*XO2 + 0.370\\*XO2H + RO2 + 0.444\\*NO2 + 0.185\\*NO3 + 0.104\\*INTR + 0.592\\*FORM + 0.331\\*GLYD + 0.185\\*FACD + 2.700\\*PAR + 0.098\\*OLE + 0.078\\*ALDX + 0.266\\*NTR2 | 3.1000E-11 | 3.1000E-11 |\n| R171 | TERP + O ----> 0.150\\*ALDX + 5.120\\*PAR + TRPRXN | 3.6000E-11 | 3.6000E-11 |\n| R172 | TERP + OH ----> 0.750\\*XO2H + 0.500\\*XO2 + 0.250\\*XO2N + 1.500\\*RO2 + 0.280\\*FORM + 1.660\\*PAR + 0.470\\*ALDX + TRPRXN | 1.50E-11e 449.00/T | 6.7627E-11 |\n| R173 | TERP + O3 ----> 0.570\\*OH + 0.070\\*XO2H + 0.690\\*XO2 + 0.180\\*XO2N + 0.940\\*RO2 + 0.240\\*FORM + 0.001\\*CO + 7.000\\*PAR + 0.210\\*ALDX + 0.390\\*CXO3 + TRPRXN | 1.20E-15e -821.00/T | 7.6434E-17 |\n| R174 | TERP + NO3 ----> 0.470\\*NO2 + 0.280\\*XO2H + 0.750\\*XO2 + 0.250\\*XO2N + 1.280\\*RO2 + 0.470\\*ALDX + 0.530\\*NTR2 + TERPNRO2 | 3.70E-12e 175.00/T | 6.6544E-12 |\n| R171a | APIN + O ----> 0.150\\*ALDX + 5.120\\*PAR + TRPRXN | 3.6000E-11 | 3.6000E-11 |\n| R172a | APIN + OH ----> 0.750\\*XO2H + 0.500\\*XO2 + 0.250\\*XO2N + 1.500\\*RO2 + 0.280\\*FORM + 1.660\\*PAR + 0.470\\*ALDX + TRPRXN | 1.50E-11e 449.00/T | 6.7627E-11 |\n| R173a | APIN + O3 ----> 0.570\\*OH + 0.070\\*XO2H + 0.690\\*XO2 + 0.180\\*XO2N + 0.940\\*RO2 + 0.240\\*FORM + 0.001\\*CO + 7.000\\*PAR + 0.210\\*ALDX + 0.390\\*CXO3 + TRPRXN | 1.20E-15e -821.00/T | 7.6434E-17 |\n| R174a | APIN + NO3 ----> 0.470\\*NO2 + 0.280\\*XO2H + 0.750\\*XO2 + 0.250\\*XO2N + 1.280\\*RO2 + 0.470\\*ALDX + 0.530\\*NTR2 | 3.70E-12e 175.00/T | 6.6544E-12 |\n| R175 | BENZENE + OH ----> 0.530\\*CRES + 0.352\\*BZO2 + 0.352\\*RO2 + 0.118\\*OPEN + 0.118\\*OH + 0.530\\*HO2 + BENZRO2 | 2.30E-12e -190.00/T | 1.2161E-12 |\n| R176 | BZO2 + NO ----> 0.918\\*NO2 + 0.082\\*NTR2 + 0.918\\*GLY + 0.918\\*OPEN + 0.918\\*HO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| R177 | BZO2 + C2O3 ----> GLY + OPEN + HO2 + MEO2 + RO2 | R58 | 1.3023E-117| \n| R178 | BZO2 + HO2 ----> | 1.90E-13e 1300.00/T | 1.4872E-11 |\n| R179 | BZO2 + RO2 ----> GLY + OPEN + HO2 + RO2 | R70 | 3.4772E-137| \n| R180 | TOL + OH ----> 0.180\\*CRES + 0.650\\*TO2 + 0.720\\*RO2 + 0.100\\*OPEN + 0.100\\*OH + 0.070\\*XO2H + 0.180\\*HO2 + TOLRO2 | 1.80E-12e 340.00/T | 5.6302E-12 |\n| R181 | TO2 + NO ----> 0.860\\*NO2 + 0.140\\*NTR2 + 0.417\\*GLY + 0.443\\*MGLY + 0.660\\*OPEN + 0.200\\*XOPN + 0.860\\*HO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| R182 | TO2 + C2O3 ----> 0.480\\*GLY + 0.520\\*MGLY + 0.770\\*OPEN + 0.230\\*XOPN + HO2 + MEO2 + RO2 | R58 | 1.3023E-117| \n| R183 | TO2 + HO2 ----> | 1.90E-13e 1300.00/T | 1.4872E-11 |\n| R184 | TO2 + RO2 ----> 0.480\\*GLY + 0.520\\*MGLY + 0.770\\*OPEN + 0.230\\*XOPN + HO2 + RO2 | R70 | 3.4772E-137| \n| R185 | XYLMN + OH ----> 0.155\\*CRES + 0.544\\*XLO2 + 0.602\\*RO2 + 0.244\\*XOPN + 0.244\\*OH + 0.058\\*XO2H + 0.155\\*HO2 + XYLRO2 | 1.8500E-11 | 1.8500E-11 |\n| R185a | NAPH + OH ----> 0.155\\*CRES + 0.544\\*XLO2 + 0.602\\*RO2 + 0.244\\*XOPN + 0.244\\*OH + 0.058\\*XO2H + 0.155\\*HO2 + PAHRO2 | 1.8500E-11 | 1.8500E-11 |\n| R186 | XLO2 + NO ----> 0.860\\*NO2 + 0.140\\*NTR2 + 0.221\\*GLY + 0.675\\*MGLY + 0.300\\*OPEN + 0.560\\*XOPN + 0.860\\*HO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| R187 | XLO2 + HO2 ----> | 1.90E-13e 1300.00/T | 1.4872E-11 |\n| R188 | XLO2 + C2O3 ----> 0.260\\*GLY + 0.770\\*MGLY + 0.350\\*OPEN + 0.650\\*XOPN + HO2 + MEO2 + RO2 | R58 | 1.3023E-117| \n| R189 | XLO2 + RO2 ----> 0.260\\*GLY + 0.770\\*MGLY + 0.350\\*OPEN + 0.650\\*XOPN + HO2 + RO2 | R70 | 3.4772E-137| \n| R190 | CRES + OH ----> 0.025\\*GLY + 0.025\\*OPEN + HO2 + 0.200\\*CRO + 0.732\\*CAT1 + 0.020\\*XO2N + 0.020\\*RO2 | 1.70E-12e 950.00/T | 4.1138E-11 |\n| R191 | CRES + NO3 ----> 0.300\\*CRO + HNO3 + 0.480\\*XO2 + 0.120\\*XO2H + 0.240\\*GLY + 0.240\\*MGLY + 0.480\\*OPO3 + 0.100\\*XO2N + 0.700\\*RO2 | 1.4000E-11 | 1.4000E-11 |\n| R192 | CRO + NO2 ----> CRON | 2.1000E-12 | 2.1000E-12 |\n| R193 | CRO + HO2 ----> CRES | 5.5000E-12 | 5.5000E-12 |\n| R194 | CRON + OH ----> NTR2 + 0.500\\*CRO | 1.5300E-12 | 1.5300E-12 |\n| R195 | CRON + NO3 ----> NTR2 + 0.500\\*CRO + HNO3 | 3.8000E-12 | 3.8000E-12 |\n| R196 | CRON ----> HONO + HO2 + FORM + OPEN | NTR_IUPAC10 | Not Available1 | \n| R197 | XOPN ----> 0.400\\*GLY + XO2H + 0.700\\*HO2 + 0.700\\*CO + 0.300\\*C2O3 | 5.0000E-02\\*NO2_IUPAC10 | Not Available1 | \n| R198 | XOPN + OH ----> MGLY + 0.400\\*GLY + 2.000\\*XO2H + 2.000\\*RO2 | 9.0000E-11 | 9.0000E-11 |\n| R199 | XOPN + O3 ----> 1.200\\*MGLY + 0.500\\*OH + 0.600\\*C2O3 + 0.100\\*ALD2 + 0.500\\*CO + 0.300\\*XO2H + 0.300\\*RO2 | 1.08E-16e -500.00/T | 2.0189E-17 |\n| R200 | XOPN + NO3 ----> 0.500\\*NO2 + 0.500\\*NTR2 + 0.450\\*XO2H + 0.450\\*XO2 + 0.100\\*XO2N + RO2 + 0.250\\*OPEN + 0.250\\*MGLY | 3.0000E-12 | 3.0000E-12 |\n| R201 | OPEN ----> OPO3 + HO2 + CO | 2.8000E-02\\*NO2_IUPAC10 | Not Available1 | \n| R202 | OPEN + OH ----> 0.600\\*OPO3 + 0.400\\*XO2H + 0.400\\*RO2 + 0.400\\*GLY | 4.4000E-11 | 4.4000E-11 |\n| R203 | OPEN + O3 ----> 1.400\\*GLY + 0.240\\*MGLY + 0.500\\*OH + 0.120\\*C2O3 + 0.080\\*FORM + 0.020\\*ALD2 + 1.980\\*CO + 0.560\\*HO2 | 5.40E-17e -500.00/T | 1.0094E-17 |\n| R204 | OPEN + NO3 ----> OPO3 + HNO3 | 3.8000E-12 | 3.8000E-12 |\n| R205 | CAT1 + OH ----> 0.140\\*FORM + 0.200\\*HO2 + 0.500\\*CRO | 5.0000E-11 | 5.0000E-11 |\n| R206 | CAT1 + NO3 ----> CRO + HNO3 | 1.7000E-10 | 1.7000E-10 |\n| R207 | OPO3 + NO ----> NO2 + 0.500\\*GLY + 0.500\\*CO + 0.800\\*HO2 + 0.200\\*CXO3 | 1.0000E-11 | 1.0000E-11 |\n| R208 | OPO3 + NO2 ----> OPAN | R54 | 9.3892E-127| \n| R209 | OPAN ----> OPO3 + NO2 | R55 | 3.0541E-047| \n| R210 | OPO3 + HO2 ----> 0.410\\*PACD + 0.150\\*AACD + 0.150\\*O3 + 0.440\\*ALDX + 0.440\\*XO2H + 0.440\\*RO2 + 0.440\\*OH | R57 | 1.3916E-117| \n| R211 | OPO3 + C2O3 ----> MEO2 + XO2 + ALDX + 2.000\\*RO2 | R59 | 1.5514E-117| \n| R212 | OPO3 + RO2 ----> 0.800\\*XO2H + 0.800\\*ALDX + 1.800\\*RO2 + 0.200\\*AACD | R58 | 1.3023E-117| \n| R213 | OPAN + OH ----> 0.500\\*NO2 + 0.500\\*GLY + CO + 0.500\\*NTR2 | 3.6000E-11 | 3.6000E-11 |\n| R214 | PANX + OH ----> ALD2 + NO2 | 3.0000E-12 | 3.0000E-12 |\n| R216 | ECH4 + OH ----> MEO2 + RO2 | 1.85E-12e -1690.00/T | 6.3895E-15 |\n| R217 | XPRP ----> XO2N + RO2 | ko= 2.37E-21e 0.0/T(T/300) 0.00
ki = 4.30E-01e 0.0/T(T/300) -8.00
n= 1.00;F= 0.41 | 3.1400E-02 |\n| R218 | XPRP ----> 0.732\\*ACET + 0.268\\*ALDX + 0.268\\*PAR + XO2H + RO2 | 1.0000E+00 | 1.0000E+00 |\n| R219 | XPAR ----> XO2N + RO2 | ko= 4.81E-20e 0.0/T(T/300) 0.00
ki = 4.30E-01e 0.0/T(T/300) -8.00
n= 1.00;F= 0.41 | 1.5312E-01 |\n| R220 | XPAR ----> 0.126\\*ALDX + 0.874\\*ROR + 0.126\\*XO2H + 0.874\\*XO2 + RO2 - 0.126\\*PAR | 1.0000E+00 | 1.0000E+00 |\n| CL1 | CL2 ----> 2.000\\*CL | CL2_IUPAC04 | Not Available1 | \n| CL2 | HOCL ----> OH + CL | HOCL_IUPAC04 | Not Available1 | \n| CL3 | CL + O3 ----> CLO | 2.30E-11e -200.00/T | 1.1760E-11 |\n| CL4 | CLO + CLO ----> 0.300\\*CL2 + 1.400\\*CL | 1.6300E-14 | 1.6300E-14 |\n| CL5 | CLO + NO ----> CL + NO2 | 6.40E-12e 290.00/T | 1.6928E-11 |\n| CL6 | CLO + HO2 ----> HOCL | 2.20E-12e 340.00/T | 6.8814E-12 |\n| CL7 | CLO + MEO2 ----> CL + FORM + HO2 | 3.20E-12e -110.00/T | 2.2127E-12 |\n| CL8 | OH + FMCL ----> CL + CO | 5.0000E-13 | 5.0000E-13 |\n| CL9 | FMCL ----> CL + CO + HO2 | FMCL_IUPAC04 | Not Available1 | \n| CL10 | CL + CH4 ----> HCL + MEO2 + RO2 | 6.60E-12e -1240.00/T | 1.0311E-13 |\n| CL11 | CL + PAR ----> HCL + XPAR | 5.0000E-11 | 5.0000E-11 |\n| CL12 | CL + PRPA ----> HCL + ACET + 0.970\\*XO2H + 0.030\\*XO2N + RO2 | 1.4000E-10 | 1.4000E-10 |\n| CL13 | CL + ETHA ----> HCL + 0.991\\*ALD2 + 0.991\\*XO2H + 0.009\\*XO2N + RO2 | 8.30E-11e -100.00/T | 5.9349E-11 |\n| CL14 | CL + ETH ----> FMCL + 2.000\\*XO2 + HO2 + FORM | 1.0700E-10 | 1.0700E-10 |\n| CL15 | CL + OLE ----> FMCL + 0.330\\*ALD2 + 0.670\\*ALDX + 2.000\\*XO2 + HO2 - PAR | 2.5000E-10 | 2.5000E-10 |\n| CL16 | CL + IOLE ----> 0.300\\*HCL + 0.700\\*FMCL + 0.450\\*ALD2 + 0.550\\*ALDX + 0.300\\*OLE + 0.300\\*PAR + 1.700\\*XO2 + HO2 | 3.5000E-10 | 3.5000E-10 |\n| CL17 | CL + ISOP ----> FMCL + ISPD + 0.960\\*XO2H + 0.040\\*XO2N + RO2 | 4.3000E-10 | 4.3000E-10 |\n| CL18 | CL + FORM ----> HCL + HO2 + CO | 8.20E-11e -34.00/T | 7.3162E-11 |\n| CL19 | CL + ALD2 ----> HCL + C2O3 | 7.9000E-11 | 7.9000E-11 |\n| CL20 | CL + ALDX ----> HCL + CXO3 | 1.3000E-10 | 1.3000E-10 |\n| CL21 | CL + MEOH ----> HCL + HO2 + FORM | 5.5000E-11 | 5.5000E-11 |\n| CL22 | CL + ETOH ----> HCL + HO2 + ALD2 | 8.20E-11e 45.00/T | 9.5359E-11 |\n| CL23 | HCL + OH ----> CL | 6.58E-13e 58.00/T(T/300) 1.16 | 7.9359E-13 |\n| CL24 | CL + TOL ----> HCL + 0.180\\*CRES + 0.650\\*TO2 + 0.720\\*RO2 + 0.100\\*OPEN + 0.100\\*OH + 0.070\\*XO2H + 0.180\\*HO2 + TOLRO2 | 6.1000E-11 | 6.1000E-11 |\n| CL25 | CL + XYLMN ----> HCL + 0.155\\*CRES + 0.544\\*XLO2 + 0.602\\*RO2 + 0.244\\*XOPN + 0.244\\*OH + 0.058\\*XO2H + 0.155\\*HO2 + XYLRO2 | 1.2000E-10 | 1.2000E-10 |\n| CL26 | CL + NAPH ----> HCL + 0.155\\*CRES + 0.544\\*XLO2 + 0.602\\*RO2 + 0.244\\*XOPN + 0.244\\*OH + 0.058\\*XO2H + 0.155\\*HO2 + PAHRO2 | 1.2000E-10 | 1.2000E-10 |\n| CL27 | CLNO2 ----> CL + NO2 | CLNO2_IUPAC13 | Not Available1 | \n| CL28 | CLO + NO2 ----> CLNO3 | ko= 1.80E-31e 0.0/T(T/300) -3.40
ki = 1.50E-11e 0.0/T(T/300) -1.90
n= 1.00;F= 0.60 | 2.3359E-12 |\n| CL30 | CLNO3 ----> CLO + NO2 | CLONO2_1 | Not Available1 | \n| CL31 | CLNO3 ----> CL + NO3 | CLONO2_2 | Not Available1 | \n| HET_CLNO3_WAJ | CLNO3 ----> HOCL + HNO3 | HETERO_CLNO3_WAJ | Not Available2 | \n| SA01 | TOLRO2 + NO ----> NO + 0.016\\*SVAVB2 + 0.051\\*SVAVB3 + 0.047\\*SVAVB4 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| SA02 | TOLRO2 + HO2 ----> HO2 + 0.140\\*SVAVB1 | 1.90E-13e 1300.00/T | 1.4872E-11 |\n| SA03 | XYLRO2 + NO ----> NO + 0.015\\*SVAVB2 + 0.023\\*SVAVB3 + 0.060\\*SVAVB4 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| SA04 | XYLRO2 + HO2 ----> HO2 + 0.193\\*SVAVB1 | 1.90E-13e 1300.00/T | 1.4872E-11 |\n| SA06 | BENZRO2 + NO ----> NO + 0.034\\*SVAVB2 + 0.392\\*SVAVB4 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| SA07 | BENZRO2 + HO2 ----> HO2 + 0.146\\*SVAVB1 | 1.90E-13e 1300.00/T | 1.4872E-11 |\n| SA08 | SESQ + O3 ----> O3 + SESQRXN | 1.1600E-14 | 1.1600E-14 |\n| SA09 | SESQ + OH ----> OH + SESQRXN | 1.9700E-10 | 1.9700E-10 |\n| SA10 | SESQ + NO3 ----> NO3 + SESQRXN | 1.9000E-11 | 1.9000E-11 |\n| SA11 | PAHRO2 + NO ----> NO + 0.028\\*SVAVB2 + 0.225\\*SVAVB3 + 0.191\\*SVAVB4 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| SA12 | PAHRO2 + HO2 ----> HO2 + 0.473\\*SVAVB1 | 1.90E-13e 1300.00/T | 1.4872E-11 |\n| SA13 | SOAALK + OH ----> OH + 0.006\\*SVAVB2 + 0.052\\*SVAVB3 + 0.081\\*SVAVB4 | 2.70E-12e 374.00/T | 9.4655E-12 |\n| HET_NTR2 | NTR2 ----> HNO3 | 1.4000E+00\\*HETERO_NTR2 | Not Available2 | \n| HET_N2O5IJ | N2O5 ----> HNO3 + H2NO3PIJ | HETERO_N2O5IJ | Not Available2 | \n| HET_N2O5K | N2O5 ----> HNO3 + H2NO3PK | HETERO_N2O5K | Not Available2 | \n| HET_H2NO3PIJA | H2NO3PIJ ----> HNO3 | HETERO_H2NO3PAIJ | Not Available2 | \n| HET_H2NO3PKA | H2NO3PK ----> HNO3 | HETERO_H2NO3PAK | Not Available2 | \n| HET_H2NO3PIB | H2NO3PIJ + ACLI ----> CLNO2 | HETERO_H2NO3PBIJ | Not Available2 | \n| HET_H2NO3PJB | H2NO3PIJ + ACLJ ----> CLNO2 | HETERO_H2NO3PBIJ | Not Available2 | \n| HET_H2NO3PKB | H2NO3PK + ACLK ----> CLNO2 | HETERO_H2NO3PBK | Not Available2 | \n| HET_N02 | NO2 ----> 0.500\\*HONO + 0.500\\*HNO3 | HETERO_NO2 | Not Available2 | \n| HAL_Ozone | O3 ----> | SEAWATER*min( 6.701E-11e 1.074E+01P+ 3.415E-08e-6.713E-01P,
2.000E-06) | 2.0000E-064| \n| HET_IEPOX | EPOX ----> IEPOXP | HETERO_IEPOX | Not Available2 | \n| HET_IEPOXOS | IEPOXP + ASO4J ----> AISO3J | HETERO_IEPOXOS | Not Available2 | \n| HET_TETROL | IEPOXP ----> AISO3J | HETERO_TETROL | Not Available2 | \n| HET_GLY | GLY ----> AGLYJ | HETERO_GLY | Not Available2 | \n| HET_MGLY | MGLY ----> AGLYJ | HETERO_MGLY | Not Available2 | \n| BL18a | TERPNRO2 + NO ----> NO + 0.688\\*MTNO3 | 2.60E-12e 380.00/T | 9.3002E-12 |\n| BL18b | TERPNRO2 + HO2 ----> HO2 + MTNO3 | 2.65E-13e 1300.00/T | 2.0743E-11 |\n| BL18c | TERPNRO2 + NO3 ----> NO3 + 0.422\\*MTNO3 | 2.3000E-12 | 2.3000E-12 |\n| BL18d | TERPNRO2 + RO2 ----> RO2 + 0.711\\*MTNO3 | 3.5000E-14 | 3.5000E-14 |\n| CP07mtp | MTNO3 + CL ----> CL + 0.370\\*MTNO3 | 1.9200E-10 | 1.9200E-10 |\n| BP70mtp | MTNO3 + OH ----> OH + 0.240\\*MTNO3 | 7.2000E-12 | 7.2000E-12 |\n| BP71mtp | MTNO3 ----> | IC3ONO2 | Not Available1 | \n| HYD_MT | AMTNO3J ----> AMTHYDJ | 9.2590E-05 | 9.2590E-05 |\n| OLIG_AROMATIC1 | AAVB2J ----> 0.907\\*AOLGAJ | 9.4882E-06 | 9.4882E-06 |\n| OLIG_AROMATIC2 | AAVB3J ----> 0.925\\*AOLGAJ | 9.4882E-06 | 9.4882E-06 |\n| OLIG_AROMATIC3 | AAVB4J ----> 0.943\\*AOLGAJ | 9.4882E-06 | 9.4882E-06 |\n| OLIG_ISOPRENE1 | AISO1J ----> 0.500\\*AOLGBJ | 9.4882E-06 | 9.4882E-06 |\n| OLIG_ISOPRENE2 | AISO2J ----> 0.500\\*AOLGBJ | 9.4882E-06 | 9.4882E-06 |\n| OLIG_SESQT1 | ASQTJ ----> 1.500\\*AOLGBJ | 9.4882E-06 | 9.4882E-06 |\n| RPOAGEPI | APOCI + OH ----> 1.250\\*APNCOMI + APOCI + OH | 2.5000E-12 | 2.5000E-12 |\n| RPOAGELI | APNCOMI + OH ----> OH | HETERO_PNCOMLI | Not Available2 | \n| RPOAGEPJ | APOCJ + OH ----> 1.250\\*APNCOMJ + APOCJ + OH | 2.5000E-12 | 2.5000E-12 |\n| RPOAGELJ | APNCOMJ + OH ----> OH | HETERO_PNCOMLJ | Not Available2 | \n| PCSOA | PCVOC + OH ----> OH + PCSOARXN | 1.2500E-11 | 1.2500E-11 |\n| POA_AGE1 | VLVPO1 + OH ----> OH + 0.486\\*VLVPO1 + 0.006\\*VSVPO1 + 0.003\\*VSVPO2 + 0.003\\*VSVPO3 + 0.002\\*VIVPO1 + 0.294\\*VLVOO1 + 0.202\\*VLVOO2 + 0.002\\*VSVOO2 + 0.002\\*VSVOO3 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE2 | VSVPO1 + OH ----> OH + 0.300\\*VLVPO1 + 0.286\\*VSVPO1 + 0.004\\*VSVPO2 + 0.004\\*VSVPO3 + 0.224\\*VLVOO1 + 0.182\\*VLVOO2 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE3 | VSVPO2 + OH ----> OH + 0.386\\*VLVPO1 + 0.095\\*VSVPO1 + 0.137\\*VSVPO2 + 0.001\\*VSVPO3 + 0.205\\*VLVOO1 + 0.176\\*VLVOO2 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE4 | VSVPO3 + OH ----> OH + 0.218\\*VLVPO1 + 0.306\\*VSVPO1 + 0.015\\*VSVPO2 + 0.104\\*VSVPO3 + 0.189\\*VLVOO1 + 0.167\\*VLVOO2 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE5 | VIVPO1 + OH ----> OH + 0.241\\*VLVPO1 + 0.209\\*VSVPO1 + 0.300\\*VSVPO2 + 0.203\\*VLVOO1 + 0.047\\*VLVOO2 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE6 | VLVOO1 + OH ----> OH + 0.666\\*VLVOO1 + 0.014\\*VLVOO2 + 0.012\\*VSVOO1 + 0.124\\*VSVOO2 + 0.183\\*VSVOO3 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE7 | VLVOO2 + OH ----> OH + 0.286\\*VLVOO1 + 0.393\\*VLVOO2 + 0.014\\*VSVOO1 + 0.103\\*VSVOO2 + 0.204\\*VSVOO3 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE8 | VSVOO1 + OH ----> OH + 0.330\\*VLVOO1 + 0.227\\*VLVOO2 + 0.261\\*VSVOO1 + 0.070\\*VSVOO2 + 0.112\\*VSVOO3 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE9 | VSVOO2 + OH ----> OH + 0.344\\*VLVOO1 + 0.275\\*VLVOO2 + 0.049\\*VSVOO1 + 0.258\\*VSVOO2 + 0.074\\*VSVOO3 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE10 | VSVOO3 + OH ----> OH + 0.389\\*VLVOO1 + 0.242\\*VLVOO2 + 0.064\\*VSVOO1 + 0.038\\*VSVOO2 + 0.267\\*VSVOO3 | 4.0000E-11 | 4.0000E-11 |\n| T01 | FORM_PRIMARY + OH ----> OH | 5.40E-12e 135.00/T | 8.4926E-12 |\n| T02 | FORM_PRIMARY + NO3 ----> NO3 | 5.5000E-16 | 5.5000E-16 |\n| T03 | FORM_PRIMARY + O ----> O | 3.40E-11e -1600.00/T | 1.5881E-13 |\n| T04 | FORM_PRIMARY ----> | FORM_R_IUPAC10 | Not Available1 | \n| T05 | FORM_PRIMARY ----> | FORM_M_IUPAC10 | Not Available1 | \n| TCL1 | FORM_PRIMARY + CL ----> CL | 8.20E-11e -34.00/T | 7.3162E-11 |\n| T06 | ALD2_PRIMARY + OH ----> OH | 4.70E-12e 345.00/T | 1.4950E-11 |\n| T07 | ALD2_PRIMARY + NO3 ----> NO3 | 1.40E-12e -1860.00/T | 2.7340E-15 |\n| T08 | ALD2_PRIMARY + O ----> O | 1.80E-11e -1100.00/T | 4.4976E-13 |\n| T09 | ALD2_PRIMARY ----> | ALD2_R_IUPAC10 | Not Available1 | \n| TCL2 | ALD2_PRIMARY + CL ----> CL | 7.9000E-11 | 7.9000E-11 |\n| T10 | BUTADIENE13 + OH ----> OH + 0.580\\*ACROLEIN | 1.48E-11e 448.00/T | 6.6502E-11 |\n| T11 | BUTADIENE13 + O3 ----> O3 + 0.520\\*ACROLEIN | 1.34E-14e -2283.00/T | 6.3331E-18 |\n| T12 | BUTADIENE13 + NO3 ----> NO3 + 0.045\\*ACROLEIN | 1.7900E-13 | 1.7900E-13 |\n| TCL3 | BUTADIENE13 + CL ----> CL + 0.580\\*ACROLEIN | 2.5100E-10 | 2.5100E-10 |\n| T13 | ACRO_PRIMARY + OH ----> OH | 2.0000E-11 | 2.0000E-11 |\n| T14 | ACRO_PRIMARY + O3 ----> O3 | 2.6100E-19 | 2.6100E-19 |\n| T15 | ACRO_PRIMARY + NO3 ----> NO3 | 1.1500E-15 | 1.1500E-15 |\n| T16 | ACRO_PRIMARY ----> | ACRO_09 | Not Available1 | \n| TCL4 | ACRO_PRIMARY + CL ----> CL | 2.3700E-10 | 2.3700E-10 |\n| T17 | ACROLEIN + OH ----> OH | 2.0000E-11 | 2.0000E-11 |\n| T18 | ACROLEIN + O3 ----> O3 | 2.6100E-19 | 2.6100E-19 |\n| T19 | ACROLEIN + NO3 ----> NO3 | 1.1500E-15 | 1.1500E-15 |\n| T20 | ACROLEIN ----> | ACRO_09 | Not Available1 | \n| TCL5 | ACROLEIN + CL ----> CL | 2.3700E-10 | 2.3700E-10 |\n| T21 | TOLU + OH ----> OH | 1.80E-12e 340.00/T | 5.6302E-12 |\n| TCL6 | TOLU + CL ----> CL | 6.1000E-11 | 6.1000E-11 |\n| HG1 | HG + O3 ----> 0.500\\*HGIIAER + 0.500\\*HGIIGAS + O3 | 2.11E-18e -1256.50/T | 3.1191E-20 |\n| HG2 | HG + CL2 ----> HGIIGAS + CL2 | 2.6000E-18 | 2.6000E-18 |\n| HG3 | HG + H2O2 ----> HGIIGAS + H2O2 | 8.5000E-19 | 8.5000E-19 |\n| HG4 | HG + OH ----> 0.500\\*HGIIAER + 0.500\\*HGIIGAS + OH | 7.7000E-14 | 7.7000E-14 |\n| HG5 | HG + CL + M ----> 0.500\\*HG + 0.500\\*HGIIGAS + CL | 2.25E-33e 680.00/T | 2.2014E-32 |\n\n0Units molecules/(sec*cm3); Value at 298.15 K; 2.4615E+19 molcules/cm3; 1.00 Atm. \n1Photolysis Reaction;depends on radiation and predicted concentrations \n2Heteorogeneous Reaction;Depends predicted concentrations \n4Set to zero if sun is below the horizon. SEAWATER equals surface fraction covered by ice free open ocean plus surf zones. P equals air pressure in atmospheres. \n7Rate constant multiple of constant for listed reaction \n" }, { "path": "CCTM/src/MECHS/mechanism_information/cb6r5_ae7_aq/AE7_species_table.md", "content": "**The AE namelist for cb6r5_ae7_aq has the following aerosol species.**\n\n| **Model Species** | **Name** | **Molecular Weight** | **Explicit or Lumped** |\n| ----------------- | ---------------------------------------------------- | -------------------- | ---------------------- |\n| AAL | Aluminum | 27 | E |\n| AAVB1 | low volatility organic particulate matter from oxidation of anthropogenic VOCs | 198.0 | L |\n| AAVB2 | semivolailte organic particulate matter from oxidation of anthropogenic VOCs | 179.0 | L |\n| AAVB3 | semivolailte organic particulate matter from oxidation of anthropogenic VOCs | 169.0 | L |\n| AAVB4 | semivolailte organic particulate matter from oxidation of anthropogenic VOCs | 158.0 | L |\n| ACA | Calcium | 40.1 | E |\n| ACL | Chloride | 35.5 | E |\n| ACORS | Anthropogenic Coarse-mode particle mass | 100.0 | L |\n| AEC | Elemental Carbon | 12 | E |\n| AFE | Iron | 55.8 | E |\n| AGLY | Glyoxal and Methylglyoxal SOA | 66.4 | L |\n| AH2O | Water | 18 | E |\n| AH3OP | Hydronium Ion | 19 | E |\n| AISO1 | Semivolatile SOA Product from Isoprene | 132.0 | L |\n| AISO2 | High-Volatility SOA Product from Isoprene | 133.0 | L |\n| AISO3 | Acid-Catalyzed Isoprene SOA compounds | 168.2 | L |\n| AIVPO1 | Intermediate Volatility Primary Organic Compounds | 266 | L |\n| AK | Potassium | 39.1 | E |\n| ALVOO1 | Low Volatility Oxidized Combustion Organic Compounds | 136 | L |\n| ALVOO2 | Low Volatility Oxidized Combustion Organic Compounds | 136 | L |\n| ALVPO1 | Low Volatility Primary Organic Compounds | 218 | L |\n| AMG | Magnesium | 24.3 | E |\n| AMN | Manganese | 54.9 | E |\n| AMT1 | low volatility particulate matter from monoterpene photoxidation, C*=0.01 ug/m3 | 200.0 | L |\n| AMT2 | low volatility particulate matter from monoterpene photoxidation, C*=0.1 ug/m3 | 300.0 | L |\n| AMT3 | semivolailte particulate matter from monoterpene photoxidation, C*=1 ug/m3 | 186.0 | L |\n| AMT4 | semivolatile particulate matter from monoterpene photoxidation, C*=10 ug/m3 | 184.0 | L |\n| AMT5 | semivolatile particulate matter from monoterpene photoxidation, C*=100 ug/m3 | 170.0 | L |\n| AMT6 | semivolatile particulate matter from monoterpene photoxidation, C*=1000 ug/m3 | 168.0 | L |\n| AMTNO3J | semivolatile organic nitrates from monoterpene oxidation (Should not to be included for tracking nitrogen) | 231.0 | L |\n| AMTHYDJ | organic pseudo-hydrolysis accretion product from monoterpene organic nitrates (AMTNO3J) | 168.0| L |\n| ANA | Sodium | 23 | E |\n| ANH4 | Ammonium | 18 | E |\n| ANO3 | Nitrate | 62 | E |\n| AOLGA | Oligomer products of anthropogenic SOA compounds | 206.0 | L |\n| AOLGB | Oligomer products of biogenic SOA compounds | 248.0 | L |\n| AORGC | Glyoxal and Methylglyoxal SOA | 177.0 | L |\n| AORGH2O | Water associated with organic species of particulate matter | 18.0 | E |\n| AOTHR | Other Particulate Mass | 200 | L |\n| APCSO | Potential Combustion SOA | 170 | L |\n| APNCOM | Non-Carbon Organic Matter associated with APOC | 220.0 | L |\n| APOC | Primary Organic Carbon | 220.0 | L |\n| ASEACAT | Sea spray cations | 23.75 | L |\n| ASI | Silicon | 28.1 | E |\n| ASO4 | Sulfate | 96 | E |\n| ASOIL | Lumped crustal species | 100.0 | L |\n| ASQT | Semivolatile SOA Product from Sesquiterpenes | 273.0 | L |\n| ASVOO1 | Semivolatile Oxidized Combustion Organic Compounds | 135 | L |\n| ASVOO2 | Semivolatile Oxidized Combustion Organic Compounds | 135 | L |\n| ASVOO3 | Semivolatile Oxidized Combustion Organic Compounds | 134 | L |\n| ASVPO1 | Semivolatile Primary Organic Compounds | 230 | L |\n| ASVPO2 | Semivolatile Primary Organic Compounds | 241 | L |\n| ASVPO3 | Semivolatile Primary Organic Compounds | 253 | L |\n| ATI | Titanium | 47.9 | E |\n| NUMACC | Accum. Mode Number Conc | NA | NA |\n| NUMAIT | Aitken Mode Number Conc | NA | NA |\n| NUMCOR | Coarse Mode Number Conc | NA | NA |\n| SRFACC | Accum. Mode Surface Area Conc | NA | NA |\n| SRFAIT | Aitken Mode Surface Area Conc | NA | NA |\n| SRFCOR | Coarse Mode Surface Area Conc | NA | NA |\n\nNote that for each aerosol mass species, a letter will be appended to the names below in order to designate the size, or mode, of the aerosol being represented: I = Aitken mode, J = Accumulation mode, K = Coarse mode. \n" }, { "path": "CCTM/src/MECHS/mechanism_information/cb6r5_ae7_aq/NR7_species_table.md", "content": "**The NR namelist for cb6r5_ae7_aq has the following gas phase species.**\n\n| **Model Species** | **Name** | **Molecular Weight** | **Explicit or Lumped** |\n| ----------------- | ---------------------------------------------------- | -------------------- | ---------------------- |\n| LVPCSOG | surrogate SOA precursor gas for combustion/anthropogenic sources | 170.0 | L | \n| NH3 | ammonia | 17.0 | E | \n| SVMT1 | low volatility gas from monoterpene photoxidation | 300.0 | L |\n| SVMT2 | low volatility gas from monoterpene photoxidation | 200.0 | L |\n| SVMT3 | semivolatile gas from monoterpene photoxidation | 186.0 | L |\n| SVMT4 | semivolatile gas from monoterpene photoxidation | 184.0 | L |\n| SVMT5 | semivolatile gas from monoterpene photoxidation | 170.0 | L |\n| SVMT6 | semivolatile gas from monoterpene photoxidation | 168.0 | L |\n| SVISO1 | semivolatile gas of secondary aerosol material from isoprene | 132.0 | L | \n| SVISO2 | semivolatile gas of secondary aerosol material from isoprene | 133.0 | L | \n| SVSQT | semivolatile gas of secondary aerosol material from sesquiterpenes | 273.0 | L | \n" }, { "path": "CCTM/src/MECHS/mechanism_information/cb6r5_ae7_aq/cb6r5_ae7_aq_species_table.md", "content": "**The GC namelist for cb6r5_ae7_aq has the following gas phase species.**\n\n| **Model Species** | **Definition** | **Molecular Weight** | **Explicit or Lumped** |\n| ----------------- | ---------------------------------------------------------------------------- | -------------------- | ---------------------- |\n| AACD | acetic acid | 60 | E |\n| ACET | acetone | 58.1 | E |\n| ACRO_PRIMARY | acrolein from emissions only | 56.1 | E |\n| ACROLEIN | acrolein | 56.1 | E |\n| ALD2 | acetaldehyde | 44 | E |\n| ALD2_PRIMARY | acetaldehyde from emissions only | 44 | E |\n| ALDX | aldehydes with 3 or more carbons | 58.1 | L |\n| APIN | alpha pinene | 136.2 | E |\n| BENZENE | benzene | 78.1 | E |\n| BENZRO2 | counter species for aerosol from benzene+OH | 127 | L |\n| BUTADIENE13 | 1,3-butadiene | 54 | E |\n| BZO2 | peroxy radical from benzene reactions with OH | 159.1 | L |\n| C2O3 | acetylperoxy radical | 75 | E |\n| CAT1 | methyl catechols | 124.1 | L |\n| CL | atomic chlorine | 35.5 | E |\n| CL2 | molecular chlorine | 71 | E |\n| CLNO2 | nitryl chloride | 81.5 | E |\n| CLNO3 | chlorine nitrate | 97.5 | E |\n| CLO | chlorine monoxide | 51.5 | E |\n| CO | carbon monoxide | 28 | E |\n| CRES | cresol and higher molecular weight phenols | 108.1 | L |\n| CRO | alkoxy radical from cresol | 107.1 | L |\n| CRON | nitro-cresols | 153.1 | L |\n| CXO3 | acetylperoxy radicals with 3 or more carbons | 89 | L |\n| DMS | dimethylsulfide | 62.0 | E |\n| ECH4 | methane | 16 | E |\n| EPOX | isoprene epoxydiol | 118.1 | L |\n| EPX2 | peroxy radical from EPOX+OH reaction | 149.1 | L |\n| ETH | ethene | 28 | E |\n| ETHA | ethane | 30.1 | E |\n| ETHY | ethyne (acetylene) | 26 | E |\n| ETOH | ethanol | 46.1 | E |\n| FACD | formic acid | 46 | E |\n| FMCL | formylchloride | 64.5 | E |\n| FORM | formaldehyde | 30 | E |\n| FORM_PRIMARY | formaldehyde from emissions only | 30 | E |\n| GLY | glyoxal | 58 | E |\n| GLYD | glycoaldehyde (hydroxyacetaldehyde) | 60 | E |\n| H2NO3PIJ | tracer producing HNO3 or ClNO2 from N2O5 in fine mode aerosols | 64 | E |\n| H2NO3PK | tracer producing HNO3 or ClNO2 from N2O5 in coarse mode aerosols | 64 | E |\n| H2O2 | hydrogen peroxide | 34 | E |\n| HCL | hydrochloric acid | 36.5 | E |\n| HCO3 | radical from HO2 reactions with formaldehyde | 63 | E |\n| HG | elemental mercury | 200.6 | E |\n| HGIIAER | precursor of aerosol divalent mercury | 200.6 | E |\n| HGIIGAS | divalent mercury | 271.5 | E |\n| HNO3 | nitric acid | 63 | E |\n| HO2 | hydroperoxy radical | 33 | E |\n| HOCL | hypochlorous acid | 52.5 | E |\n| HONO | nitrous acid | 47 | E |\n| HPLD | hydroperoxyaldehyde from ISO2 isomerization | 116.1 | L |\n| INTR | nitrate from isoprene | 147.1 | L |\n| IOLE | internal alkene bond | 56.1 | L |\n| ISO2 | isoprene peroxy radical | 117.1 | L |\n| ISOP | isoprene | 68.1 | E |\n| ISOPRXN | counter species for aerosol from isoprene, volatility pathways | 68.1 | L |\n| ISPD | isoprene reaction products (methacrolein, methylvinyl ketone, others) | 70.1 | L |\n| ISPX | hydroperoxide from ISO2 reaction with HO2 | 118.1 | L |\n| KET | carbon-ketone bond | 72.1 | L |\n| MEO2 | methylperoxy radical | 47 | E |\n| MEOH | methanol | 32 | E |\n| MEPX | methylhydroperoxide | 48 | E |\n| MGLY | methyl glyoxal | 72 | E |\n| MMTNO3 | organic nitrates from monoterpene oxidation (Should not to be included for tracking nitrogen) | 231.0 | L |\n|MSA | methane sulfonic acid | 96.0 | E |\n| N2O5 | dinitrogen pentoxide | 108 | E |\n| NAPH | naphthalene | 128.2 | E |\n| NO | nitric oxide | 30 | E |\n| NO2 | nitrogen dioxide | 46 | E |\n| NO3 | nitrate radical | 62 | E |\n| NTR1 | monofunctional organic nitrates | 119.1 | L |\n| NTR2 | multifunctional organic nitrates | 135.1 | L |\n| O | ground-state oxygen atoms, O(3P) | 16 | E |\n| O1D | electronically excited oxygen atoms, O(1D) | 16 | E |\n| O3 | ozone | 48 | E |\n| OH | hydroxyl radical | 17 | E |\n| OLE | terminal alkene bond | 42.1 | L |\n| OPAN | peroxyacylnitrate from OPO3 | 161 | L |\n| OPEN | aromatic ring opening product (an alkene and aldehyde) | 84 | L |\n| OPO3 | peroxyacyl radical from OPEN | 115 | L |\n| PACD | peroxycarboxylic acids | 76 | L |\n| PAHRO2 | counter species for aerosol from NAPH+OH | 187.2 | L |\n| PAN | peroxyacylnitrate | 121 | E |\n| PANX | peroxyacylnitrates with 3 or more carbons | 135 | L |\n| PAR | carbon-carbon single bond | 14.0 | L |\n| PCSOARXN | counter species for potential aerosol from combustion (from PCVOC reactions) | 170 | L |\n| PCVOC | tracer for potential combustion SOA VOCs | 170 | L |\n| PNA | peroxynitric acid | 79 | E |\n| PRPA | propane | 44.1 | E |\n| RO2 | total peroxy radical concentration | 87.1 | L |\n| ROOH | methylhydroperoxide | 90.1 | E |\n| ROR | secondary alkoxy radical | 71.1 | L |\n| SESQ | sesquiterpenes | 204 | L |\n| SESQRXN | counter species for aerosol from sesquiterpenes | 204 | L |\n| SO2 | sulfur dioxide | 64 | E |\n| SOAALK | tracer for alkanes that can form secondary organic aerosol | 112 | L |\n| SULF | sulfuric acid (gaseous) | 98 | E |\n| SULRXN | sulfate aerosol precursor | 98 | E |\n| SVAVB1\t | low volatility organic gas from oxidation of anthropogenic VOCs | 179.0 | L |\n| SVAVB2 | semivolatile organic gas from oxidation of anthropogenic VOCs | 169.0 | L |\n| SVAVB3 | semivolatile organic gas from oxidation of anthropogenic VOCs | 158.0 | L |\n| SVAVB4 | semivolatile organic gas from oxidation of anthropogenic VOCs | 198.0 | L |\n| TERP | monoterpenes | 136.2 | L |\n| TERPNRO2 | counter species for aerosol from TERP + NO3 | 197.0 | L |\n| TO2 | toluene peroxy radical | 173.1 | L |\n| TOL | toluene and other monoalkyl aromatics | 92.1 | L |\n| TOLRO2 | counter species for aerosol from TOL+OH | 141 | L |\n| TOLU | toluene | 92 | E |\n| TRPRXN | counter species for aerosol precursor from monoterpenes | 136.2 | L |\n| VIVPO1 | evaporated primary organic aerosol, intermed-volatility | 266 | L |\n| VLVOO1 | evaporated secondary organic aerosol, low-volatility, cat 1 | 136 | L |\n| VLVOO2 | evaporated secondary organic aerosol, low-volatility, cat 2 | 136 | L |\n| VLVPO1 | evaporated primary organic aerosol, low-volatility | 218 | L |\n| VSVOO1 | evaporated secondary organic aerosol, semi-volatile, cat 1 | 135 | L |\n| VSVOO2 | evaporated secondary organic aerosol, semi-volatile, cat 2 | 135 | L |\n| VSVOO3 | evaporated secondary organic aerosol, semi-volatile, cat 3 | 134 | L |\n| VSVPO1 | evaporated primary organic aerosol, semi-volatile, cat 1 | 230 | L |\n| VSVPO2 | evaporated primary organic aerosol, semi-volatile, cat 2 | 241 | L |\n| VSVPO3 | evaporated primary organic aerosol, semi-volatile, cat 3 | 253 | L |\n| XLO2 | peroxy radical from XYLMN+OH reaction | 187.1 | L |\n| XO2 | NO oxidation to NO2 via peroxy radical | 87.1 | L |\n| XO2H | NO oxidation to NO2 with HO2 production, from alkoxy radicals | 87.1 | L |\n| XO2N | nitrate production from NO reaction with peroxy radical | 87.1 | L |\n| XOPN | product of aromatic ring-opening reaction | 98.1 | L |\n| XPAR | organic nitrate production from PAR | 117.1 | L |\n| XPRP | organic nitrate production from PRPA | 89.1 | L |\n| XYLMN | xylene and other polyalkyl aromatics except naphthalene | 106.2 | L |\n| XYLRO2 | counter species for aerosol from XYLMN+OH | 155 | L |\n\n\n**The AE namelist for cb6r5_ae7_aq has the following aerosol species.**\n\n| **Model Species** | **Definition** | **Molecular Weight** | **Explicit or Lumped** |\n| ----------------- | ---------------------------------------------------- | -------------------- | ---------------------- |\n| AAL | Aluminum | 27 | E |\n| AAVB1 | low volatility organic particulate matter from oxidation of anthropogenic VOCs | 198.0 | L |\n| AAVB2 | semivolailte organic particulate matter from oxidation of anthropogenic VOCs | 179.0 | L |\n| AAVB3 | semivolailte organic particulate matter from oxidation of anthropogenic VOCs | 169.0 | L |\n| AAVB4 | semivolailte organic particulate matter from oxidation of anthropogenic VOCs | 158.0 | L |\n| ACA | Calcium | 40.1 | E |\n| ACL | Chloride | 35.5 | E |\n| ACORS | Anthropogenic Coarse-mode particle mass | 100.0 | L |\n| AEC | Elemental Carbon | 12 | E |\n| AFE | Iron | 55.8 | E |\n| AGLY | Glyoxal and Methylglyoxal SOA in aqueous aerosol material | 66.4 | L |\n| AH2O | Water | 18 | E |\n| AH3OP | Hydronium Ion | 19 | E |\n| AISO1 | Semivolatile SOA Product from Isoprene | 132.0 | L |\n| AISO2 | High-Volatility SOA Product from Isoprene | 133.0 | L |\n| AISO3 | Acid-catalyzed Isoprene Epoxydiol SOA | 168.2 | L |\n| AIVPO1 | Intermediate Volatility Primary Organic Compounds | 266 | L |\n| AK | Potassium | 39.1 | E |\n| ALVOO1 | Low Volatility Oxidized Combustion Organic Compounds | 136 | L |\n| ALVOO2 | Low Volatility Oxidized Combustion Organic Compounds | 136 | L |\n| ALVPO1 | Low Volatility Primary Organic Compounds | 218 | L |\n| AMG | Magnesium | 24.3 | E |\n| AMN | Manganese | 54.9 | E |\n| AMT1 | low volatility particulate matter from monoterpene photoxidation, C*=0.01 ug/m3 | 200.0 | L |\n| AMT2 | low volatility particulate matter from monoterpene photoxidation, C*=0.1 ug/m3 | 300.0 | L |\n| AMT3 | semivolailte particulate matter from monoterpene photoxidation, C*=1 ug/m3 | 186.0 | L |\n| AMT4 | semivolatile particulate matter from monoterpene photoxidation, C*=10 ug/m3 | 184.0 | L |\n| AMT5 | semivolatile particulate matter from monoterpene photoxidation, C*=100 ug/m3 | 170.0 | L |\n| AMT6 | semivolatile particulate matter from monoterpene photoxidation, C*=1000 ug/m3 | 168.0 | L |\n| AMTNO3J | semivolatile organic nitrates from monoterpene oxidation (Should not to be included for tracking nitrogen) | 231.0 | L |\n| AMTHYDJ | organic pseudo-hydrolysis accretion product from monoterpene organic nitrates (AMTNO3J) | 168.0| L |\n| ANA | Sodium | 23 | E |\n| ANH4 | Ammonium | 18 | E |\n| ANO3 | Nitrate | 62 | E |\n| AOLGA | Oligomer products of anthropogenic SOA compounds | 206.0 | L |\n| AOLGB | Oligomer products of biogenic SOA compounds | 248.0 | L |\n| AORGC | Glyoxal and methylglyoxal SOA produced in cloud water | 177.0 | L |\n| AORGH2O | Water associated with organic species of particulate matter | 18.0 | E |\n| AOTHR | Other Particulate Mass | 200 | L |\n| APCSO | Potential Combustion SOA | 170 | L |\n| APNCOM | Non-Carbon Organic Matter associated with APOC | 220.0 | L |\n| APOC | Primary Organic Carbon | 220.0 | L |\n| ASEACAT | Sea spray cations | 23.75 | L |\n| ASI | Silicon | 28.1 | E |\n| ASO4 | Sulfate | 96 | E |\n| ASOIL | Lumped crustal species | 100.0 | L |\n| ASQT | Semivolatile SOA Product from Sesquiterpenes | 273.0 | L |\n| ASVOO1 | Semivolatile Oxidized Combustion Organic Compounds | 135 | L |\n| ASVOO2 | Semivolatile Oxidized Combustion Organic Compounds | 135 | L |\n| ASVOO3 | Semivolatile Oxidized Combustion Organic Compounds | 134 | L |\n| ASVPO1 | Semivolatile Primary Organic Compounds | 230 | L |\n| ASVPO2 | Semivolatile Primary Organic Compounds | 241 | L |\n| ASVPO3 | Semivolatile Primary Organic Compounds | 253 | L |\n| ATI | Titanium | 47.9 | E |\n| NUMACC | Accum. Mode Number Conc | NA | NA |\n| NUMAIT | Aitken Mode Number Conc | NA | NA |\n| NUMCOR | Coarse Mode Number Conc | NA | NA |\n| SRFACC | Accum. Mode Surface Area Conc | NA | NA |\n| SRFAIT | Aitken Mode Surface Area Conc | NA | NA |\n| SRFCOR | Coarse Mode Surface Area Conc | NA | NA |\n\nNote that for each aerosol mass species, a letter will be appended to the names below in order to designate the size, or mode, of the aerosol being represented: I = Aitken mode, J = Accumulation mode, K = Coarse mode. \n\n**The NR namelist for cb6r5_ae7_aq has the following gas phase species.**\n\n| **Model Species** | **Definition** | **Molecular Weight** | **Explicit or Lumped** |\n| ----------------- | ---------------------------------------------------- | -------------------- | ---------------------- |\n| LVPCSOG | surrogate SOA precursor gas for combustion/anthropogenic sources | 170.0 | L | \n| NH3 | ammonia | 17.0 | E | \n| SVMT1 | low volatility gas from monoterpene photoxidation | 300.0 | L |\n| SVMT2 | low volatility gas from monoterpene photoxidation | 200.0 | L |\n| SVMT3 | semivolatile gas from monoterpene photoxidation | 186.0 | L |\n| SVMT4 | semivolatile gas from monoterpene photoxidation | 184.0 | L |\n| SVMT5 | semivolatile gas from monoterpene photoxidation | 170.0 | L |\n| SVMT6 | semivolatile gas from monoterpene photoxidation | 168.0 | L |\n| SVISO1 | semivolatile gas of secondary aerosol material from isoprene | 132.0 | L | \n| SVISO2 | semivolatile gas of secondary aerosol material from isoprene | 133.0 | L | \n| SVSQT | semivolatile gas of secondary aerosol material from sesquiterpenes | 273.0 | L | \n" }, { "path": "CCTM/src/MECHS/mechanism_information/cb6r5_ae7_aq/mech_cb6r5_ae7_aq.md", "content": "Information is based on the mech.def file.\n* Fall-off or pressure dependent reaction rate constants (M equals air number density):\n * For rate constants with ko, ki, n, F values: k = [ koM/(1+koM/ki)]FG, where G=(1+(log10(koM/ki)/n)2))-1 \n * For rate constants with k1, k2: k = k1 + k2M\n * For rate constants with k0, k2, k3: k = k0 + k3M/(1+k3M/k2)\n * For rate constants with k1, k2, k3: k = k1 + k2M + k3 \n\n* For rate constants with the form A<_Reference_>, k equals A times a reference that represents photolysis rate, a heteorogeneous rate constant, rate constant for the given reaction or an operator. A equals one if not given.\n\n* In the mechanism definition file, the rate is formatted as\n * A~<_HETEOROGENEOUS_>\n * A*K<_REACTION_>\n * A/<_PHOTOLYSIS_>\n * A?<_OPERATOR_>\n\n|Label|Reaction |Rate Constant Formula| Value
molecules/(sec*cm3)| \n|:---|:-------------------|:--------------------|:----:| \n| R1 | NO2 ----> NO + O | NO2_IUPAC10 | Not Available1 | \n| R2 | O + O2 + M ----> O3 | 6.00E-34(T/300) -2.60 | 6.0973E-34 |\n| R3 | O3 + NO ----> NO2 | 2.07E-12e -1400.00/T | 1.8910E-14 |\n| R4 | O + NO ----> NO2 | ko= 1.00E-31e 0.0/T(T/300) -1.60
ki = 5.00E-11e 0.0/T(T/300) 0.30
n= 0.84;F= 0.85 | 2.2577E-12 |\n| R5 | O + NO2 ----> NO | 5.10E-12e 198.00/T | 9.9079E-12 |\n| R6 | O + NO2 ----> NO3 | ko= 1.30E-31e 0.0/T(T/300) -1.50
ki = 2.30E-11e 0.0/T(T/300) 0.24
n= 1.03;F= 0.60 | 2.0907E-12 |\n| R7 | O + O3 ----> | 8.00E-12e -2060.00/T | 7.9879E-15 |\n| R8 | O3 ----> O | O3_O3P_IUPAC10 | Not Available1 | \n| R9 | O3 ----> O1D | O3_O1D_IUPAC10 | Not Available1 | \n| R10 | O1D + M ----> O | 2.23E-11e 115.00/T | 3.2796E-11 |\n| R11 | O1D + H2O ----> 2.0000\\*OH | 2.1400E-10 | 2.1400E-10 |\n| R12 | O3 + OH ----> HO2 | 1.70E-12e -940.00/T | 7.2647E-14 |\n| R13 | O3 + HO2 ----> OH | 2.03E-16e 693.00/T(T/300) 4.57 | 2.0168E-15 |\n| R14 | OH + O ----> HO2 | 2.40E-11e 110.00/T | 3.4709E-11 |\n| R15 | HO2 + O ----> OH | 3.00E-11e 200.00/T | 5.8674E-11 |\n| R16 | OH + OH ----> O | 6.20E-14e 945.00/T(T/300) 2.60 | 1.4519E-12 |\n| R17 | OH + OH ----> H2O2 | ko= 9.00E-31e 0.0/T(T/300) -3.20
ki = 3.90E-11e 0.0/T(T/300) -0.47
n= 1.23;F= 0.42 | 6.2071E-12 |\n| R18 | OH + HO2 ----> | 4.80E-11e 250.00/T | 1.1102E-10 |\n| R19 | HO2 + HO2 ----> H2O2 | k0= 2.20E-13e 600.0/T
k1= 1.90E-33e 980.0/T | 2.8975E-12 |\n| R20 | HO2 + HO2 + H2O ----> H2O2 | k0= 3.08E-34e 2800.0/T
k1= 2.66E-54e 3180.0/T | 6.4973E-30 |\n| R21 | H2O2 ----> 2.0000\\*OH | H2O2_IUPAC10 | Not Available1 | \n| R22 | H2O2 + OH ----> HO2 | 1.8000E-12 | 1.8000E-12 |\n| R23 | H2O2 + O ----> OH + HO2 | 1.40E-12e -2000.00/T | 1.7095E-15 |\n| R24 | NO + NO + O2 ----> 2.0000\\*NO2 | 4.25E-39e 664.00/T | 3.9409E-38 |\n| R25 | HO2 + NO ----> OH + NO2 | 3.45E-12e 270.00/T | 8.5332E-12 |\n| R26 | NO2 + O3 ----> NO3 | 1.40E-13e -2470.00/T | 3.5339E-17 |\n| R27 | NO3 ----> NO2 + O | NO3NO2_06 | Not Available1 | \n| R28 | NO3 ----> NO | NO3NO_06 | Not Available1 | \n| R29 | NO3 + NO ----> 2.0000\\*NO2 | 1.80E-11e 110.00/T | 2.6032E-11 |\n| R30 | NO3 + NO2 ----> NO + NO2 | 4.50E-14e -1260.00/T | 6.5744E-16 |\n| R31 | NO3 + O ----> NO2 | 1.7000E-11 | 1.7000E-11 |\n| R32 | NO3 + OH ----> HO2 + NO2 | 2.0000E-11 | 2.0000E-11 |\n| R33 | NO3 + HO2 ----> OH + NO2 | 4.0000E-12 | 4.0000E-12 |\n| R34 | NO3 + O3 ----> NO2 | 1.0000E-17 | 1.0000E-17 |\n| R35 | NO3 + NO3 ----> 2.0000\\*NO2 | 8.50E-13e -2450.00/T | 2.2944E-16 |\n| R36 | NO3 + NO2 ----> N2O5 | ko= 3.60E-30e 0.0/T(T/300) -4.10
ki = 1.90E-12e 0.0/T(T/300) 0.20
n= 1.33;F= 0.35 | 1.2406E-12 |\n| R37 | N2O5 ----> NO3 + NO2 | ko= 1.30E-03e-11000.0/T(T/300) -3.50
ki = 9.70E+14e-11080.0/T(T/300) 0.10
n= 1.33;F= 0.35 | 4.5396E-02 |\n| R38 | N2O5 ----> NO2 + NO3 | N2O5_IUPAC10 | Not Available1 | \n| R39 | N2O5 + H2O ----> 2.0000\\*HNO3 | 1.0000E-22 | 1.0000E-22 |\n| R40 | NO + OH ----> HONO | ko= 7.40E-31e 0.0/T(T/300) -2.40
ki = 3.30E-11e 0.0/T(T/300) -0.30
n= 0.87;F= 0.81 | 9.7627E-12 |\n| R41 | NO + NO2 + H2O ----> 2.0000\\*HONO | 5.0000E-40 | 5.0000E-40 |\n| R42 | HONO + HONO ----> NO + NO2 | 1.0000E-20 | 1.0000E-20 |\n| R43 | HONO ----> NO + OH | HONO_IUPAC10 | Not Available1 | \n| R44 | HONO + OH ----> NO2 | 2.50E-12e 260.00/T | 5.9795E-12 |\n| R45 | NO2 + OH ----> HNO3 | ko= 1.80E-30e 0.0/T(T/300) -3.00
ki = 2.80E-11e 0.0/T(T/300) 0.00
n= 1.00;F= 0.60 | 1.0589E-11 |\n| R46 | HNO3 + OH ----> NO3 | k0= 2.40E-14e 460.0/T
k1= 2.70E-17e 2199.0/T
k3= 6.50E-34e 1335.0/T | 1.5409E-13 |\n| R47 | HNO3 ----> OH + NO2 | HNO3_IUPAC10 | Not Available1 | \n| R48 | HO2 + NO2 ----> PNA | ko= 1.40E-31e 0.0/T(T/300) -3.10
ki = 4.00E-12e 0.0/T(T/300) 0.00
n= 1.26;F= 0.40 | 7.4949E-13 |\n| R49 | PNA ----> HO2 + NO2 | ko= 4.10E-05e-10650.0/T(T/300) 0.00
ki = 6.00E+15e-11170.0/T(T/300) 0.00
n= 1.26;F= 0.40 | 6.3131E-02 |\n| R50 | PNA ----> 0.5900\\*HO2 + 0.5900\\*NO2 + 0.4100\\*OH + 0.4100\\*NO3 | PNA_IUPAC10 | Not Available1 | \n| R51 | PNA + OH ----> NO2 | 3.20E-13e 690.00/T | 3.2376E-12 |\n| R52 | SO2 + OH ----> SULF + HO2 + SULRXN | ko= 2.80E-31e 0.0/T(T/300) -2.60
ki = 2.00E-12e 0.0/T(T/300) 0.00
n= 1.10;F= 0.53 | 9.3422E-13 |\n| R53 | C2O3 + NO ----> NO2 + MEO2 + RO2 | 7.50E-12e 290.00/T | 1.9837E-11 |\n| R54 | C2O3 + NO2 ----> PAN | ko= 3.61E-28e 0.0/T(T/300) -6.87
ki = 1.24E-11e 0.0/T(T/300) -1.10
n= 1.41;F= 0.30 | 9.8670E-12 |\n| R55 | PAN ----> NO2 + C2O3 | ko= 1.10E-05e-10100.0/T(T/300) 0.00
ki = 1.90E+17e-14100.0/T(T/300) 0.00
n= 1.41;F= 0.30 | 4.4073E-04 |\n| R56 | PAN ----> 0.6000\\*NO2 + 0.6000\\*C2O3 + 0.4000\\*NO3 + 0.4000\\*MEO2 + 0.4000\\*RO2 | PAN_IUPAC10 | Not Available1 | \n| R57 | C2O3 + HO2 ----> 0.3700\\*PACD + 0.1300\\*AACD + 0.1300\\*O3 + 0.5000\\*MEO2 + 0.5000\\*RO2 + 0.5000\\*OH | 3.14E-12e 580.00/T | 2.1967E-11 |\n| R58 | C2O3 + RO2 ----> MEO2 | 4.40E-13e 1070.00/T | 1.5924E-11 |\n| R59 | C2O3 + C2O3 ----> 2.0000\\*MEO2 + 2.0000\\*RO2 | 2.90E-12e 500.00/T | 1.5514E-11 |\n| R60 | C2O3 + CXO3 ----> MEO2 + ALD2 + XO2H + 2.0000\\*RO2 | R59 | 1.5514E-117| \n| R61 | CXO3 + NO ----> NO2 + ALD2 + XO2H + RO2 | 6.70E-12e 340.00/T | 2.0957E-11 |\n| R62 | CXO3 + NO2 ----> PANX | 8.4000E-01\\*R54 | 8.2883E-127| \n| R63 | PANX ----> NO2 + CXO3 | 8.4000E-01\\*R55 | 3.7022E-047| \n| R64 | PANX ----> 0.6000\\*NO2 + 0.6000\\*CXO3 + 0.4000\\*NO3 + 0.4000\\*ALD2 + 0.4000\\*XO2H + 0.4000\\*RO2 | PAN_IUPAC10 | Not Available1 | \n| R65 | CXO3 + HO2 ----> 0.3700\\*PACD + 0.1300\\*AACD + 0.1300\\*O3 + 0.5000\\*OH + 0.5000\\*MEO2 + 0.5000\\*RO2 | R57 | 2.1967E-117| \n| R66 | CXO3 + RO2 ----> MEO2 | R58 | 1.5924E-117| \n| R67 | CXO3 + CXO3 ----> 2.0000\\*MEO2 + 2.0000\\*RO2 | R59 | 1.5514E-117| \n| R68 | RO2 + NO ----> NO | 2.40E-12e 360.00/T | 8.0278E-12 |\n| R69 | RO2 + HO2 ----> HO2 | 4.80E-13e 800.00/T | 7.0234E-12 |\n| R70 | RO2 + RO2 ----> | 6.50E-14e 500.00/T | 3.4772E-13 |\n| R71 | MEO2 + NO ----> FORM + HO2 + NO2 | 2.30E-12e 360.00/T | 7.6933E-12 |\n| R72 | MEO2 + HO2 ----> 0.9000\\*MEPX + 0.1000\\*FORM | 3.80E-13e 780.00/T | 5.1994E-12 |\n| R73 | MEO2 + C2O3 ----> FORM + 0.9000\\*HO2 + 0.9000\\*MEO2 + 0.1000\\*AACD + 0.9000\\*RO2 | 2.00E-12e 500.00/T | 1.0699E-11 |\n| R74 | MEO2 + RO2 ----> 0.6850\\*FORM + 0.3150\\*MEOH + 0.3700\\*HO2 + RO2 | R70 | 3.4772E-137| \n| R75 | XO2H + NO ----> NO2 + HO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| R76 | XO2H + HO2 ----> ROOH | 6.80E-13e 800.00/T | 9.9498E-12 |\n| R77 | XO2H + C2O3 ----> 0.8000\\*HO2 + 0.8000\\*MEO2 + 0.2000\\*AACD + 0.8000\\*RO2 | R58 | 1.5924E-117| \n| R78 | XO2H + RO2 ----> 0.6000\\*HO2 + RO2 | R70 | 3.4772E-137| \n| R79 | XO2 + NO ----> NO2 | R75 | 9.0313E-127| \n| R80 | XO2 + HO2 ----> ROOH | R76 | 9.9498E-127| \n| R81 | XO2 + C2O3 ----> 0.8000\\*MEO2 + 0.2000\\*AACD + 0.8000\\*RO2 | R58 | 1.5924E-117| \n| R82 | XO2 + RO2 ----> RO2 | R70 | 3.4772E-137| \n| R83 | XO2N + NO ----> 0.5000\\*NTR1 + 0.5000\\*NTR2 | R75 | 9.0313E-127| \n| R84 | XO2N + HO2 ----> ROOH | R76 | 9.9498E-127| \n| R85 | XO2N + C2O3 ----> 0.8000\\*HO2 + 0.8000\\*MEO2 + 0.2000\\*AACD + 0.8000\\*RO2 | R58 | 1.5924E-117| \n| R86 | XO2N + RO2 ----> RO2 | R70 | 3.4772E-137| \n| R87 | MEPX + OH ----> 0.6000\\*MEO2 + 0.6000\\*RO2 + 0.4000\\*FORM + 0.4000\\*OH | 5.30E-12e 190.00/T | 1.0024E-11 |\n| R88 | MEPX ----> MEO2 + RO2 + OH | MEPX_IUPAC10 | Not Available1 | \n| R89 | ROOH + OH ----> 0.5400\\*XO2H + 0.0600\\*XO2N + 0.6000\\*RO2 + 0.4000\\*OH | 5.30E-12e 190.00/T | 1.0024E-11 |\n| R90 | ROOH ----> HO2 + OH | MEPX_IUPAC10 | Not Available1 | \n| R91 | NTR1 + OH ----> NTR2 | 2.0000E-12 | 2.0000E-12 |\n| R92 | NTR1 ----> NO2 | NTR_IUPAC10 | Not Available1 | \n| R93 | FACD + OH ----> HO2 | 4.5000E-13 | 4.5000E-13 |\n| R94 | AACD + OH ----> MEO2 + RO2 | 4.00E-14e 850.00/T | 6.9214E-13 |\n| R95 | PACD + OH ----> C2O3 | 5.30E-12e 190.00/T | 1.0024E-11 |\n| R96 | FORM + OH ----> HO2 + CO | 5.40E-12e 135.00/T | 8.4926E-12 |\n| R97 | FORM ----> 2.0000\\*HO2 + CO | FORM_R_IUPAC13 | Not Available1 | \n| R98 | FORM ----> CO | FORM_M_IUPAC13 | Not Available1 | \n| R99 | FORM + O ----> OH + HO2 + CO | 3.40E-11e -1600.00/T | 1.5881E-13 |\n| R100 | FORM + NO3 ----> HNO3 + HO2 + CO | 5.5000E-16 | 5.5000E-16 |\n| R101 | FORM + HO2 ----> HCO3 | 9.70E-15e 625.00/T | 7.8916E-14 |\n| R102 | HCO3 ----> FORM + HO2 | 2.40E+12e -7000.00/T | 1.5268E+02 |\n| R103 | HCO3 + NO ----> FACD + NO2 + HO2 | 5.6000E-12 | 5.6000E-12 |\n| R104 | HCO3 + HO2 ----> 0.5000\\*MEPX + 0.5000\\*FACD + 0.2000\\*OH + 0.2000\\*HO2 | 5.60E-15e 2300.00/T | 1.2544E-11 |\n| R105 | ALD2 + O ----> C2O3 + OH | 1.80E-11e -1100.00/T | 4.4976E-13 |\n| R106 | ALD2 + OH ----> C2O3 | 4.70E-12e 345.00/T | 1.4950E-11 |\n| R107 | ALD2 + NO3 ----> C2O3 + HNO3 | 1.40E-12e -1860.00/T | 2.7340E-15 |\n| R108 | ALD2 ----> MEO2 + RO2 + CO + HO2 | ALD2_R_IUPAC13 | Not Available1 | \n| R109 | ALDX + O ----> CXO3 + OH | 1.30E-11e -870.00/T | 7.0255E-13 |\n| R110 | ALDX + OH ----> CXO3 | 4.90E-12e 405.00/T | 1.9060E-11 |\n| R111 | ALDX + NO3 ----> CXO3 + HNO3 | 6.3000E-15 | 6.3000E-15 |\n| R112 | ALDX ----> ALD2 + XO2H + RO2 + CO + HO2 | ALDX_R_IUPAC13 | Not Available1 | \n| R113 | GLYD + OH ----> 0.2000\\*GLY + 0.2000\\*HO2 + 0.8000\\*C2O3 | 8.0000E-12 | 8.0000E-12 |\n| R114 | GLYD ----> 0.7400\\*FORM + 0.8900\\*CO + 1.4000\\*HO2 + 0.1500\\*MEOH + 0.1900\\*OH + 0.1100\\*GLY + 0.1100\\*XO2H + 0.1100\\*RO2 | GLYD_IUPAC13 | Not Available1 | \n| R115 | GLYD + NO3 ----> HNO3 + C2O3 | R107 | 2.7340E-157| \n| R116 | GLY + OH ----> 1.8000\\*CO + 0.2000\\*XO2 + 0.2000\\*RO2 + HO2 | 3.10E-12e 340.00/T | 9.6965E-12 |\n| R117 | GLY ----> 2.0000\\*HO2 + 2.0000\\*CO | GLY_R_IUPAC13 | Not Available1 | \n| R118 | GLY + NO3 ----> HNO3 + 1.5000\\*CO + 0.5000\\*XO2 + 0.5000\\*RO2 + HO2 | 4.0000E-16 | 4.0000E-16 |\n| R119 | MGLY ----> C2O3 + HO2 + CO | MGLY_IUPAC10 | Not Available1 | \n| R120 | MGLY + NO3 ----> HNO3 + C2O3 + XO2 + RO2 | 5.0000E-16 | 5.0000E-16 |\n| R121 | MGLY + OH ----> C2O3 + CO | 1.90E-12e 575.00/T | 1.3071E-11 |\n| R122 | OH + H2 ----> HO2 | 7.70E-12e -2100.00/T | 6.7230E-15 |\n| R123 | CO + OH ----> HO2 | k0= 1.44E-13e 0.0/T
k1= 3.43E-33e 0.0/T | 2.2843E-13 |\n| R124 | OH + CH4 ----> MEO2 + RO2 | 1.85E-12e -1690.00/T | 6.3895E-15 |\n| R125 | ETHA + OH ----> 0.9910\\*ALD2 + 0.9910\\*XO2H + 0.0090\\*XO2N + RO2 | 6.90E-12e -1000.00/T | 2.4111E-13 |\n| R126 | MEOH + OH ----> FORM + HO2 | 2.85E-12e -345.00/T | 8.9600E-13 |\n| R127 | ETOH + OH ----> 0.9500\\*ALD2 + 0.9000\\*HO2 + 0.1000\\*XO2H + 0.1000\\*RO2 + 0.0780\\*FORM + 0.0110\\*GLYD | 3.00E-12e 20.00/T | 3.2081E-12 |\n| R128 | KET ----> 0.5000\\*ALD2 + 0.5000\\*C2O3 + 0.5000\\*XO2H + 0.5000\\*CXO3 + 0.5000\\*MEO2 + RO2 - 2.5000\\*PAR | KET_IUPAC10 | Not Available1 | \n| R129 | ACET ----> 0.3800\\*CO + 1.3800\\*MEO2 + 1.3800\\*RO2 + 0.6200\\*C2O3 | ACET_IUPAC10 | Not Available1 | \n| R130 | ACET + OH ----> FORM + C2O3 + XO2 + RO2 | 1.41E-12e -620.60/T | 1.7589E-13 |\n| R131 | PRPA + OH ----> XPRP | 7.60E-12e -585.00/T | 1.0683E-12 |\n| R132 | PAR + OH ----> XPAR | 8.1000E-13 | 8.1000E-13 |\n| R133 | ROR ----> 0.2000\\*KET + 0.4200\\*ACET + 0.7400\\*ALD2 + 0.3700\\*ALDX + 0.0400\\*XO2N + 0.9400\\*XO2H + 0.9800\\*RO2 + 0.0200\\*ROR - 2.7000\\*PAR | 5.70E+12e -5780.00/T | 2.1704E+04 |\n| R134 | ROR + O2 ----> KET + HO2 | 1.50E-14e -200.00/T | 7.6695E-15 |\n| R135 | ROR + NO2 ----> NTR1 | 8.60E-12e 400.00/T | 3.2897E-11 |\n| R136 | ETHY + OH ----> 0.7000\\*GLY + 0.7000\\*OH + 0.3000\\*FACD + 0.3000\\*CO + 0.3000\\*HO2 | ko= 5.00E-30e 0.0/T(T/300) -1.50
ki = 1.00E-12e 0.0/T(T/300) 0.00
n= 1.30;F= 0.37 | 7.5233E-13 |\n| R137 | ETH + O ----> FORM + HO2 + CO + 0.7000\\*XO2H + 0.7000\\*RO2 + 0.3000\\*OH | 1.04E-11e -792.00/T | 7.3010E-13 |\n| R138 | ETH + OH ----> XO2H + RO2 + 1.5600\\*FORM + 0.2200\\*GLYD | ko= 8.60E-29e 0.0/T(T/300) -3.10
ki = 9.00E-12e 0.0/T(T/300) -0.85
n= 1.15;F= 0.48 | 7.8392E-12 |\n| R139 | ETH + O3 ----> FORM + 0.3500\\*CO + 0.2700\\*HO2 + 0.1700\\*OH + 0.4200\\*FACD | 6.82E-15e -2500.00/T | 1.5567E-18 |\n| R140 | ETH + NO3 ----> 0.5000\\*NO2 + 0.5000\\*NTR1 + 0.5000\\*XO2H + 0.5000\\*XO2 + RO2 + 1.1250\\*FORM | 3.30E-12e -2880.00/T | 2.1058E-16 |\n| R141 | OLE + O ----> 0.2000\\*ALD2 + 0.3000\\*ALDX + 0.1000\\*HO2 + 0.2000\\*XO2H + 0.2000\\*CO + 0.2000\\*FORM + 0.0100\\*XO2N + 0.2100\\*RO2 + 0.2000\\*PAR + 0.1000\\*OH | 1.00E-11e -280.00/T | 3.9097E-12 |\n| R142 | OLE + OH ----> 0.7810\\*FORM + 0.4880\\*ALD2 + 0.4880\\*ALDX + 0.9760\\*XO2H + 0.1950\\*XO2 + 0.0240\\*XO2N + 1.1950\\*RO2 - 0.7300\\*PAR | ko= 8.00E-27e 0.0/T(T/300) -3.50
ki = 3.00E-11e 0.0/T(T/300) -1.00
n= 1.13;F= 0.50 | 2.8547E-11 |\n| R143 | OLE + O3 ----> 0.2950\\*ALD2 + 0.5550\\*FORM + 0.2700\\*ALDX + 0.1500\\*XO2H + 0.1500\\*RO2 + 0.3340\\*OH + 0.0800\\*HO2 + 0.3780\\*CO + 0.0750\\*GLY + 0.0750\\*MGLY + 0.0900\\*FACD + 0.1300\\*AACD + 0.0400\\*H2O2 - 0.7900\\*PAR | 5.50E-15e -1880.00/T | 1.0044E-17 |\n| R144 | OLE + NO3 ----> 0.5000\\*NO2 + 0.5000\\*NTR1 + 0.4800\\*XO2 + 0.4800\\*XO2H + 0.0400\\*XO2N + RO2 + 0.5000\\*FORM + 0.2500\\*ALD2 + 0.3750\\*ALDX - PAR | 4.60E-13e -1155.00/T | 9.5576E-15 |\n| R145 | IOLE + O ----> 1.2400\\*ALD2 + 0.6600\\*ALDX + 0.1000\\*XO2H + 0.1000\\*RO2 + 0.1000\\*CO + 0.1000\\*PAR | 2.3000E-11 | 2.3000E-11 |\n| R146 | IOLE + OH ----> 1.3000\\*ALD2 + 0.7000\\*ALDX + XO2H + RO2 | 1.05E-11e 519.00/T | 5.9866E-11 |\n| R147 | IOLE + O3 ----> 0.7320\\*ALD2 + 0.4420\\*ALDX + 0.1280\\*FORM + 0.2450\\*CO + 0.5000\\*OH + 0.3000\\*XO2H + 0.3000\\*RO2 + 0.2400\\*GLY + 0.0600\\*MGLY + 0.2900\\*PAR + 0.0800\\*AACD + 0.0800\\*H2O2 | 4.70E-15e -1013.00/T | 1.5723E-16 |\n| R148 | IOLE + NO3 ----> 0.5000\\*NO2 + 0.5000\\*NTR1 + 0.4800\\*XO2 + 0.4800\\*XO2H + 0.0400\\*XO2N + RO2 + 0.5000\\*ALD2 + 0.6250\\*ALDX + PAR | 3.7000E-13 | 3.7000E-13 |\n| R149 | ISOP + OH ----> ISO2 + RO2 + ISOPRXN | 2.70E-11e 390.00/T | 9.9873E-11 |\n| R150 | ISOP + O ----> 0.7500\\*ISPD + 0.5000\\*FORM + 0.2500\\*XO2 + 0.2500\\*RO2 + 0.2500\\*HO2 + 0.2500\\*CXO3 + 0.2500\\*PAR | 3.0000E-11 | 3.0000E-11 |\n| R151 | ISO2 + NO ----> 0.1000\\*INTR + 0.9000\\*NO2 + 0.6730\\*FORM + 0.9000\\*ISPD + 0.8180\\*HO2 + 0.0820\\*XO2H + 0.0820\\*RO2 | 2.39E-12e 365.00/T | 8.1296E-12 |\n| R152 | ISO2 + HO2 ----> 0.8800\\*ISPX + 0.1200\\*OH + 0.1200\\*HO2 + 0.1200\\*FORM + 0.1200\\*ISPD | 7.43E-13e 700.00/T | 7.7737E-12 |\n| R153 | ISO2 + C2O3 ----> 0.5980\\*FORM + ISPD + 0.7280\\*HO2 + 0.0720\\*XO2H + 0.8000\\*MEO2 + 0.2000\\*AACD + 0.8720\\*RO2 | R58 | 1.5924E-117| \n| R154 | ISO2 + RO2 ----> 0.5980\\*FORM + ISPD + 0.7280\\*HO2 + 0.0720\\*XO2H + 1.0720\\*RO2 | R70 | 3.4772E-137| \n| R155 | ISO2 ----> HO2 + HPLD | 3.30E+09e -8300.00/T | 2.6821E-03 |\n| R156 | ISOP + O3 ----> 0.6000\\*FORM + 0.6500\\*ISPD + 0.1500\\*ALDX + 0.2000\\*CXO3 + 0.3500\\*PAR + 0.2660\\*OH + 0.2000\\*XO2 + 0.2000\\*RO2 + 0.0660\\*HO2 + 0.0660\\*CO | 1.03E-14e -1995.00/T | 1.2790E-17 |\n| R157 | ISOP + NO3 ----> 0.3500\\*NO2 + 0.6500\\*NTR2 + 0.6400\\*XO2H + 0.3300\\*XO2 + 0.0300\\*XO2N + RO2 + 0.3500\\*FORM + 0.3500\\*ISPD + ISOPRXN | 3.03E-12e -448.00/T | 6.7433E-13 |\n| R158 | ISPD + OH ----> 0.0220\\*XO2N + 0.5210\\*XO2 + 0.1150\\*MGLY + 0.1150\\*MEO2 + 0.2690\\*GLYD + 0.2690\\*C2O3 + 0.4570\\*OPO3 + 0.1170\\*PAR + 0.1370\\*ACET + 0.1370\\*CO + 0.1370\\*HO2 + 0.6580\\*RO2 | 5.58E-12e 511.00/T | 3.0972E-11 |\n| R159 | ISPD + O3 ----> 0.0400\\*ALD2 + 0.2310\\*FORM + 0.5310\\*MGLY + 0.1700\\*GLY + 0.1700\\*ACET + 0.5430\\*CO + 0.4610\\*OH + 0.1500\\*FACD + 0.3980\\*HO2 + 0.1430\\*C2O3 | 3.88E-15e -1770.00/T | 1.0247E-17 |\n| R160 | ISPD + NO3 ----> 0.7170\\*HNO3 + 0.1420\\*NTR2 + 0.1420\\*NO2 + 0.1420\\*XO2 + 0.1420\\*XO2H + 0.1130\\*GLYD + 0.1130\\*MGLY + 0.7170\\*PAR + 0.7170\\*CXO3 + 0.2840\\*RO2 | 4.10E-12e -1860.00/T | 8.0066E-15 |\n| R161 | ISPD ----> 0.7600\\*HO2 + 0.3400\\*XO2H + 0.1600\\*XO2 + 0.3400\\*MEO2 + 0.2080\\*C2O3 + 0.2600\\*FORM + 0.2400\\*OLE + 0.2400\\*PAR + 0.1700\\*ACET + 0.1280\\*GLYD + 0.8400\\*RO2 | ISPD | Not Available1 | \n| R162 | ISPX + OH ----> 0.9040\\*EPOX + 0.9330\\*OH + 0.0670\\*ISO2 + 0.0670\\*RO2 + 0.0290\\*IOLE + 0.0290\\*ALDX | 2.23E-11e 372.00/T | 7.7655E-11 |\n| R163 | HPLD ----> OH + ISPD | HPALD | Not Available1 | \n| R164 | HPLD + NO3 ----> HNO3 + ISPD | 6.00E-12e -1860.00/T | 1.1717E-14 |\n| R165 | EPOX + OH ----> EPX2 + RO2 | 5.78E-11e -400.00/T | 1.5110E-11 |\n| R166 | EPX2 + HO2 ----> 0.2750\\*GLYD + 0.2750\\*GLY + 0.2750\\*MGLY + 1.1250\\*OH + 0.8250\\*HO2 + 0.3750\\*FORM + 0.0740\\*FACD + 0.2510\\*CO + 2.1750\\*PAR | 7.43E-13e 700.00/T | 7.7737E-12 |\n| R167 | EPX2 + NO ----> 0.2750\\*GLYD + 0.2750\\*GLY + 0.2750\\*MGLY + 0.1250\\*OH + 0.8250\\*HO2 + 0.3750\\*FORM + NO2 + 0.2510\\*CO + 2.1750\\*PAR | 2.39E-12e 365.00/T | 8.1296E-12 |\n| R168 | EPX2 + C2O3 ----> 0.2200\\*GLYD + 0.2200\\*GLY + 0.2200\\*MGLY + 0.1000\\*OH + 0.6600\\*HO2 + 0.3000\\*FORM + 0.2000\\*CO + 1.7400\\*PAR + 0.8000\\*MEO2 + 0.2000\\*AACD + 0.8000\\*RO2 | R58 | 1.5924E-117| \n| R169 | EPX2 + RO2 ----> 0.2750\\*GLYD + 0.2750\\*GLY + 0.2750\\*MGLY + 0.1250\\*OH + 0.8250\\*HO2 + 0.3750\\*FORM + 0.2510\\*CO + 2.1750\\*PAR + RO2 | R70 | 3.4772E-137| \n| R170 | INTR + OH ----> 0.6300\\*XO2 + 0.3700\\*XO2H + RO2 + 0.4440\\*NO2 + 0.1850\\*NO3 + 0.1040\\*INTR + 0.5920\\*FORM + 0.3310\\*GLYD + 0.1850\\*FACD + 2.7000\\*PAR + 0.0980\\*OLE + 0.0780\\*ALDX + 0.2660\\*NTR2 | 3.1000E-11 | 3.1000E-11 |\n| R171 | TERP + O ----> 0.1500\\*ALDX + 5.1200\\*PAR + TRPRXN | 3.6000E-11 | 3.6000E-11 |\n| R172 | TERP + OH ----> 0.7500\\*XO2H + 0.5000\\*XO2 + 0.2500\\*XO2N + 1.5000\\*RO2 + 0.2800\\*FORM + 1.6600\\*PAR + 0.4700\\*ALDX + TRPRXN | 1.50E-11e 449.00/T | 6.7627E-11 |\n| R173 | TERP + O3 ----> 0.5700\\*OH + 0.0700\\*XO2H + 0.6900\\*XO2 + 0.1800\\*XO2N + 0.9400\\*RO2 + 0.2400\\*FORM + 0.0010\\*CO + 7.0000\\*PAR + 0.2100\\*ALDX + 0.3900\\*CXO3 + TRPRXN | 1.20E-15e -821.00/T | 7.6434E-17 |\n| R174 | TERP + NO3 ----> 0.4700\\*NO2 + 0.2800\\*XO2H + 0.7500\\*XO2 + 0.2500\\*XO2N + 1.2800\\*RO2 + 0.4700\\*ALDX + 0.5300\\*NTR2 + TERPNRO2 | 3.70E-12e 175.00/T | 6.6544E-12 |\n| R171a | APIN + O ----> 0.1500\\*ALDX + 5.1200\\*PAR + TRPRXN | 3.6000E-11 | 3.6000E-11 |\n| R172a | APIN + OH ----> 0.7500\\*XO2H + 0.5000\\*XO2 + 0.2500\\*XO2N + 1.5000\\*RO2 + 0.2800\\*FORM + 1.6600\\*PAR + 0.4700\\*ALDX + TRPRXN | 1.50E-11e 449.00/T | 6.7627E-11 |\n| R173a | APIN + O3 ----> 0.5700\\*OH + 0.0700\\*XO2H + 0.6900\\*XO2 + 0.1800\\*XO2N + 0.9400\\*RO2 + 0.2400\\*FORM + 0.0010\\*CO + 7.0000\\*PAR + 0.2100\\*ALDX + 0.3900\\*CXO3 + TRPRXN | 1.20E-15e -821.00/T | 7.6434E-17 |\n| R174a | APIN + NO3 ----> 0.4700\\*NO2 + 0.2800\\*XO2H + 0.7500\\*XO2 + 0.2500\\*XO2N + 1.2800\\*RO2 + 0.4700\\*ALDX + 0.5300\\*NTR2 | 3.70E-12e 175.00/T | 6.6544E-12 |\n| R175 | BENZENE + OH ----> 0.5300\\*CRES + 0.3520\\*BZO2 + 0.3520\\*RO2 + 0.1180\\*OPEN + 0.1180\\*OH + 0.5300\\*HO2 + BENZRO2 | 2.30E-12e -190.00/T | 1.2161E-12 |\n| R176 | BZO2 + NO ----> 0.9180\\*NO2 + 0.0820\\*NTR2 + 0.9180\\*GLY + 0.9180\\*OPEN + 0.9180\\*HO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| R177 | BZO2 + C2O3 ----> GLY + OPEN + HO2 + MEO2 + RO2 | R58 | 1.5924E-117| \n| R178 | BZO2 + HO2 ----> | 1.90E-13e 1300.00/T | 1.4872E-11 |\n| R179 | BZO2 + RO2 ----> GLY + OPEN + HO2 + RO2 | R70 | 3.4772E-137| \n| R180 | TOL + OH ----> 0.1800\\*CRES + 0.6500\\*TO2 + 0.7200\\*RO2 + 0.1000\\*OPEN + 0.1000\\*OH + 0.0700\\*XO2H + 0.1800\\*HO2 + TOLRO2 | 1.80E-12e 340.00/T | 5.6302E-12 |\n| R181 | TO2 + NO ----> 0.8600\\*NO2 + 0.1400\\*NTR2 + 0.4170\\*GLY + 0.4430\\*MGLY + 0.6600\\*OPEN + 0.2000\\*XOPN + 0.8600\\*HO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| R182 | TO2 + C2O3 ----> 0.4800\\*GLY + 0.5200\\*MGLY + 0.7700\\*OPEN + 0.2300\\*XOPN + HO2 + MEO2 + RO2 | R58 | 1.5924E-117| \n| R183 | TO2 + HO2 ----> | 1.90E-13e 1300.00/T | 1.4872E-11 |\n| R184 | TO2 + RO2 ----> 0.4800\\*GLY + 0.5200\\*MGLY + 0.7700\\*OPEN + 0.2300\\*XOPN + HO2 + RO2 | R70 | 3.4772E-137| \n| R185 | XYLMN + OH ----> 0.1550\\*CRES + 0.5440\\*XLO2 + 0.6020\\*RO2 + 0.2440\\*XOPN + 0.2440\\*OH + 0.0580\\*XO2H + 0.1550\\*HO2 + XYLRO2 | 1.8500E-11 | 1.8500E-11 |\n| R185a | NAPH + OH ----> 0.1550\\*CRES + 0.5440\\*XLO2 + 0.6020\\*RO2 + 0.2440\\*XOPN + 0.2440\\*OH + 0.0580\\*XO2H + 0.1550\\*HO2 + PAHRO2 | 1.8500E-11 | 1.8500E-11 |\n| R186 | XLO2 + NO ----> 0.8600\\*NO2 + 0.1400\\*NTR2 + 0.2210\\*GLY + 0.6750\\*MGLY + 0.3000\\*OPEN + 0.5600\\*XOPN + 0.8600\\*HO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| R187 | XLO2 + HO2 ----> | 1.90E-13e 1300.00/T | 1.4872E-11 |\n| R188 | XLO2 + C2O3 ----> 0.2600\\*GLY + 0.7700\\*MGLY + 0.3500\\*OPEN + 0.6500\\*XOPN + HO2 + MEO2 + RO2 | R58 | 1.5924E-117| \n| R189 | XLO2 + RO2 ----> 0.2600\\*GLY + 0.7700\\*MGLY + 0.3500\\*OPEN + 0.6500\\*XOPN + HO2 + RO2 | R70 | 3.4772E-137| \n| R190 | CRES + OH ----> 0.0250\\*GLY + 0.0250\\*OPEN + HO2 + 0.2000\\*CRO + 0.7320\\*CAT1 + 0.0200\\*XO2N + 0.0200\\*RO2 | 1.70E-12e 950.00/T | 4.1138E-11 |\n| R191 | CRES + NO3 ----> 0.3000\\*CRO + HNO3 + 0.4800\\*XO2 + 0.1200\\*XO2H + 0.2400\\*GLY + 0.2400\\*MGLY + 0.4800\\*OPO3 + 0.1000\\*XO2N + 0.7000\\*RO2 | 1.4000E-11 | 1.4000E-11 |\n| R192 | CRO + NO2 ----> CRON | 2.1000E-12 | 2.1000E-12 |\n| R193 | CRO + HO2 ----> CRES | 5.5000E-12 | 5.5000E-12 |\n| R194 | CRON + OH ----> NTR2 + 0.5000\\*CRO | 1.5300E-12 | 1.5300E-12 |\n| R195 | CRON + NO3 ----> NTR2 + 0.5000\\*CRO + HNO3 | 3.8000E-12 | 3.8000E-12 |\n| R196 | CRON ----> HONO + HO2 + FORM + OPEN | NTR_IUPAC10 | Not Available1 | \n| R197 | XOPN ----> 0.4000\\*GLY + XO2H + 0.7000\\*HO2 + 0.7000\\*CO + 0.3000\\*C2O3 | 5.0000E-02\\*NO2_IUPAC10 | Not Available1 | \n| R198 | XOPN + OH ----> MGLY + 0.4000\\*GLY + 2.0000\\*XO2H + 2.0000\\*RO2 | 9.0000E-11 | 9.0000E-11 |\n| R199 | XOPN + O3 ----> 1.2000\\*MGLY + 0.5000\\*OH + 0.6000\\*C2O3 + 0.1000\\*ALD2 + 0.5000\\*CO + 0.3000\\*XO2H + 0.3000\\*RO2 | 1.08E-16e -500.00/T | 2.0189E-17 |\n| R200 | XOPN + NO3 ----> 0.5000\\*NO2 + 0.5000\\*NTR2 + 0.4500\\*XO2H + 0.4500\\*XO2 + 0.1000\\*XO2N + RO2 + 0.2500\\*OPEN + 0.2500\\*MGLY | 3.0000E-12 | 3.0000E-12 |\n| R201 | OPEN ----> OPO3 + HO2 + CO | 2.8000E-02\\*NO2_IUPAC10 | Not Available1 | \n| R202 | OPEN + OH ----> 0.6000\\*OPO3 + 0.4000\\*XO2H + 0.4000\\*RO2 + 0.4000\\*GLY | 4.4000E-11 | 4.4000E-11 |\n| R203 | OPEN + O3 ----> 1.4000\\*GLY + 0.2400\\*MGLY + 0.5000\\*OH + 0.1200\\*C2O3 + 0.0800\\*FORM + 0.0200\\*ALD2 + 1.9800\\*CO + 0.5600\\*HO2 | 5.40E-17e -500.00/T | 1.0094E-17 |\n| R204 | OPEN + NO3 ----> OPO3 + HNO3 | 3.8000E-12 | 3.8000E-12 |\n| R205 | CAT1 + OH ----> 0.1400\\*FORM + 0.2000\\*HO2 + 0.5000\\*CRO | 5.0000E-11 | 5.0000E-11 |\n| R206 | CAT1 + NO3 ----> CRO + HNO3 | 1.7000E-10 | 1.7000E-10 |\n| R207 | OPO3 + NO ----> NO2 + 0.5000\\*GLY + 0.5000\\*CO + 0.8000\\*HO2 + 0.2000\\*CXO3 | R61 | 2.0957E-117| \n| R208 | OPO3 + NO2 ----> OPAN | R62 | 8.2883E-127| \n| R209 | OPAN ----> OPO3 + NO2 | R63 | 3.7022E-047| \n| R210 | OPO3 + HO2 ----> 0.3700\\*PACD + 0.1300\\*AACD + 0.1300\\*O3 + 0.5000\\*OH + 0.5000\\*MEO2 + 0.5000\\*RO2 | R57 | 2.1967E-117| \n| R211 | OPO3 + C2O3 ----> MEO2 + XO2 + ALDX + 2.0000\\*RO2 | R59 | 1.5514E-117| \n| R212 | OPO3 + RO2 ----> 0.8000\\*XO2H + 0.8000\\*ALDX + 1.8000\\*RO2 + 0.2000\\*AACD | R58 | 1.5924E-117| \n| R213 | OPAN + OH ----> 0.5000\\*NO2 + 0.5000\\*GLY + CO + 0.5000\\*NTR2 | 3.6000E-11 | 3.6000E-11 |\n| R214 | PANX + OH ----> ALD2 + NO2 | 3.0000E-12 | 3.0000E-12 |\n| R216 | ECH4 + OH ----> MEO2 + RO2 | 1.85E-12e -1690.00/T | 6.3895E-15 |\n| R217 | XPRP ----> XO2N + RO2 | ko= 2.37E-21e 0.0/T(T/300) 0.00
ki = 4.07E-01e 0.0/T(T/300) -8.00
n= 1.00;F= 0.41 | 3.0828E-02 |\n| R218 | XPRP ----> 0.7320\\*ACET + 0.2680\\*ALDX + 0.2680\\*PAR + XO2H + RO2 | 1.0000E+00 | 1.0000E+00 |\n| R219 | XPAR ----> XO2N + RO2 | ko= 4.81E-20e 0.0/T(T/300) 0.00
ki = 4.07E-01e 0.0/T(T/300) -8.00
n= 1.00;F= 0.41 | 1.4904E-01 |\n| R220 | XPAR ----> 0.1260\\*ALDX + 0.8740\\*ROR + 0.1260\\*XO2H + 0.8740\\*XO2 + RO2 - 0.1260\\*PAR | 1.0000E+00 | 1.0000E+00 |\n| R221 | NO2 + OH + H2O ----> HNO3 | 1.1000E-30 | 1.1000E-30 |\n| CL1 | CL2 ----> 2.0000\\*CL | CL2_IUPAC04 | Not Available1 | \n| CL2 | HOCL ----> OH + CL | HOCL_IUPAC04 | Not Available1 | \n| CL3 | CL + O3 ----> CLO | 2.30E-11e -200.00/T | 1.1760E-11 |\n| CL4 | CLO + CLO ----> 0.3000\\*CL2 + 1.4000\\*CL | 1.6300E-14 | 1.6300E-14 |\n| CL5 | CLO + NO ----> CL + NO2 | 6.40E-12e 290.00/T | 1.6928E-11 |\n| CL6 | CLO + HO2 ----> HOCL | 2.20E-12e 340.00/T | 6.8814E-12 |\n| CL7 | CLO + MEO2 ----> CL + FORM + HO2 | 3.20E-12e -110.00/T | 2.2127E-12 |\n| CL8 | OH + FMCL ----> CL + CO | 5.0000E-13 | 5.0000E-13 |\n| CL9 | FMCL ----> CL + CO + HO2 | FMCL_IUPAC04 | Not Available1 | \n| CL10 | CL + CH4 ----> HCL + MEO2 + RO2 | 6.60E-12e -1240.00/T | 1.0311E-13 |\n| CL11 | CL + PAR ----> HCL + XPAR | 5.0000E-11 | 5.0000E-11 |\n| CL12 | CL + PRPA ----> HCL + ACET + 0.9700\\*XO2H + 0.0300\\*XO2N + RO2 | 1.4000E-10 | 1.4000E-10 |\n| CL13 | CL + ETHA ----> HCL + 0.9910\\*ALD2 + 0.9910\\*XO2H + 0.0090\\*XO2N + RO2 | 8.30E-11e -100.00/T | 5.9349E-11 |\n| CL14 | CL + ETH ----> FMCL + 2.0000\\*XO2 + HO2 + FORM | 1.0700E-10 | 1.0700E-10 |\n| CL15 | CL + OLE ----> FMCL + 0.3300\\*ALD2 + 0.6700\\*ALDX + 2.0000\\*XO2 + HO2 - PAR | 2.5000E-10 | 2.5000E-10 |\n| CL16 | CL + IOLE ----> 0.3000\\*HCL + 0.7000\\*FMCL + 0.4500\\*ALD2 + 0.5500\\*ALDX + 0.3000\\*OLE + 0.3000\\*PAR + 1.7000\\*XO2 + HO2 | 3.5000E-10 | 3.5000E-10 |\n| CL17 | CL + ISOP ----> FMCL + ISPD + 0.9600\\*XO2H + 0.0400\\*XO2N + RO2 | 4.3000E-10 | 4.3000E-10 |\n| CL18 | CL + FORM ----> HCL + HO2 + CO | 8.20E-11e -34.00/T | 7.3162E-11 |\n| CL19 | CL + ALD2 ----> HCL + C2O3 | 7.9000E-11 | 7.9000E-11 |\n| CL20 | CL + ALDX ----> HCL + CXO3 | 1.3000E-10 | 1.3000E-10 |\n| CL21 | CL + MEOH ----> HCL + HO2 + FORM | 5.5000E-11 | 5.5000E-11 |\n| CL22 | CL + ETOH ----> HCL + HO2 + ALD2 | 8.20E-11e 45.00/T | 9.5359E-11 |\n| CL23 | HCL + OH ----> CL | 6.58E-13e 58.00/T(T/300) 1.16 | 7.9359E-13 |\n| CL24 | CL + TOL ----> HCL + 0.1800\\*CRES + 0.6500\\*TO2 + 0.7200\\*RO2 + 0.1000\\*OPEN + 0.1000\\*OH + 0.0700\\*XO2H + 0.1800\\*HO2 + TOLRO2 | 6.1000E-11 | 6.1000E-11 |\n| CL25 | CL + XYLMN ----> HCL + 0.1550\\*CRES + 0.5440\\*XLO2 + 0.6020\\*RO2 + 0.2440\\*XOPN + 0.2440\\*OH + 0.0580\\*XO2H + 0.1550\\*HO2 + XYLRO2 | 1.2000E-10 | 1.2000E-10 |\n| CL26 | CL + NAPH ----> HCL + 0.1550\\*CRES + 0.5440\\*XLO2 + 0.6020\\*RO2 + 0.2440\\*XOPN + 0.2440\\*OH + 0.0580\\*XO2H + 0.1550\\*HO2 + PAHRO2 | 1.2000E-10 | 1.2000E-10 |\n| CL27 | CLNO2 ----> CL + NO2 | CLNO2_IUPAC13 | Not Available1 | \n| CL28 | CLO + NO2 ----> CLNO3 | ko= 1.80E-31e 0.0/T(T/300) -3.40
ki = 1.50E-11e 0.0/T(T/300) -1.90
n= 1.00;F= 0.60 | 2.3359E-12 |\n| CL30 | CLNO3 ----> CLO + NO2 | CLONO2_1 | Not Available1 | \n| CL31 | CLNO3 ----> CL + NO3 | CLONO2_2 | Not Available1 | \n| HET_CLNO3_WAI | CLNO3 ----> HOCL + HNO3 | HETERO_CLNO3_WAI | Not Available2 | \n| HET_CLNO3_WAJ | CLNO3 ----> HOCL + HNO3 | HETERO_CLNO3_WAJ | Not Available2 | \n| SA01 | TOLRO2 + NO ----> NO + 0.0160\\*SVAVB2 + 0.0510\\*SVAVB3 + 0.0470\\*SVAVB4 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| SA02 | TOLRO2 + HO2 ----> HO2 + 0.1400\\*SVAVB1 | 1.90E-13e 1300.00/T | 1.4872E-11 |\n| SA03 | XYLRO2 + NO ----> NO + 0.0150\\*SVAVB2 + 0.0230\\*SVAVB3 + 0.0600\\*SVAVB4 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| SA04 | XYLRO2 + HO2 ----> HO2 + 0.1930\\*SVAVB1 | 1.90E-13e 1300.00/T | 1.4872E-11 |\n| SA06 | BENZRO2 + NO ----> NO + 0.0340\\*SVAVB2 + 0.3920\\*SVAVB4 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| SA07 | BENZRO2 + HO2 ----> HO2 + 0.1460\\*SVAVB1 | 1.90E-13e 1300.00/T | 1.4872E-11 |\n| SA08 | SESQ + O3 ----> O3 + SESQRXN | 1.1600E-14 | 1.1600E-14 |\n| SA09 | SESQ + OH ----> OH + SESQRXN | 1.9700E-10 | 1.9700E-10 |\n| SA10 | SESQ + NO3 ----> NO3 + SESQRXN | 1.9000E-11 | 1.9000E-11 |\n| SA11 | PAHRO2 + NO ----> NO + 0.0280\\*SVAVB2 + 0.2250\\*SVAVB3 + 0.1910\\*SVAVB4 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| SA12 | PAHRO2 + HO2 ----> HO2 + 0.4730\\*SVAVB1 | 1.90E-13e 1300.00/T | 1.4872E-11 |\n| SA13 | SOAALK + OH ----> OH + 0.0060\\*SVAVB2 + 0.0520\\*SVAVB3 + 0.0810\\*SVAVB4 | 2.70E-12e 374.00/T | 9.4655E-12 |\n| HET_NTR2 | NTR2 ----> HNO3 | 1.4000E+00\\*HETERO_NTR2 | Not Available2 | \n| HET_N2O5IJ | N2O5 ----> HNO3 + H2NO3PIJ | HETERO_N2O5IJ | Not Available2 | \n| HET_N2O5K | N2O5 ----> HNO3 + H2NO3PK | HETERO_N2O5K | Not Available2 | \n| HET_H2NO3PIJA | H2NO3PIJ ----> HNO3 | HETERO_H2NO3PAIJ | Not Available2 | \n| HET_H2NO3PKA | H2NO3PK ----> HNO3 | HETERO_H2NO3PAK | Not Available2 | \n| HET_H2NO3PIB | H2NO3PIJ + ACLI ----> CLNO2 | HETERO_H2NO3PBIJ | Not Available2 | \n| HET_H2NO3PJB | H2NO3PIJ + ACLJ ----> CLNO2 | HETERO_H2NO3PBIJ | Not Available2 | \n| HET_H2NO3PKB | H2NO3PK + ACLK ----> CLNO2 | HETERO_H2NO3PBK | Not Available2 | \n| HET_N02 | NO2 ----> 0.5000\\*HONO + 0.5000\\*HNO3 | HETERO_NO2 | Not Available2 | \n| HAL_Ozone | O3 ----> | SEAWATER*min( 6.701E-11e 1.074E+01P+ 3.415E-08e-6.713E-01P,
2.000E-06) | 2.0000E-064| \n| HET_IEPOX | EPOX ----> IEPOXP | HETERO_IEPOX | Not Available2 | \n| HET_IEPOXOS | IEPOXP + ASO4J ----> AISO3J | HETERO_IEPOXOS | Not Available2 | \n| HET_TETROL | IEPOXP ----> AISO3J | HETERO_TETROL | Not Available2 | \n| HET_GLY | GLY ----> AGLYJ | HETERO_GLY | Not Available2 | \n| HET_MGLY | MGLY ----> AGLYJ | HETERO_MGLY | Not Available2 | \n| BL18a | TERPNRO2 + NO ----> NO + 0.6880\\*MTNO3 | 2.60E-12e 380.00/T | 9.3002E-12 |\n| BL18b | TERPNRO2 + HO2 ----> HO2 + MTNO3 | 2.65E-13e 1300.00/T | 2.0743E-11 |\n| BL18c | TERPNRO2 + NO3 ----> NO3 + 0.4220\\*MTNO3 | 2.3000E-12 | 2.3000E-12 |\n| BL18d | TERPNRO2 + RO2 ----> RO2 + 0.7110\\*MTNO3 | 3.5000E-14 | 3.5000E-14 |\n| CP07mtp | MTNO3 + CL ----> CL + 0.3700\\*MTNO3 | 1.9200E-10 | 1.9200E-10 |\n| BP70mtp | MTNO3 + OH ----> OH + 0.2400\\*MTNO3 | 7.2000E-12 | 7.2000E-12 |\n| BP71mtp | MTNO3 ----> | IC3ONO2 | Not Available1 | \n| HYD_MT | AMTNO3J ----> AMTHYDJ | 9.2590E-05 | 9.2590E-05 |\n| OLIG_AROMATIC1 | AAVB2J ----> 0.9070\\*AOLGAJ | 9.4882E-06 | 9.4882E-06 |\n| OLIG_AROMATIC2 | AAVB3J ----> 0.9250\\*AOLGAJ | 9.4882E-06 | 9.4882E-06 |\n| OLIG_AROMATIC3 | AAVB4J ----> 0.9430\\*AOLGAJ | 9.4882E-06 | 9.4882E-06 |\n| OLIG_ISOPRENE1 | AISO1J ----> 0.5000\\*AOLGBJ | 9.4882E-06 | 9.4882E-06 |\n| OLIG_ISOPRENE2 | AISO2J ----> 0.5000\\*AOLGBJ | 9.4882E-06 | 9.4882E-06 |\n| OLIG_SESQT1 | ASQTJ ----> 1.5000\\*AOLGBJ | 9.4882E-06 | 9.4882E-06 |\n| RPOAGEPI | APOCI + OH ----> 1.2500\\*APNCOMI + APOCI + OH | 2.5000E-12 | 2.5000E-12 |\n| RPOAGELI | APNCOMI + OH ----> OH | HETERO_PNCOMLI | Not Available2 | \n| RPOAGEPJ | APOCJ + OH ----> 1.2500\\*APNCOMJ + APOCJ + OH | 2.5000E-12 | 2.5000E-12 |\n| RPOAGELJ | APNCOMJ + OH ----> OH | HETERO_PNCOMLJ | Not Available2 | \n| PCSOA | PCVOC + OH ----> OH + PCSOARXN | 1.2500E-11 | 1.2500E-11 |\n| POA_AGE1 | VLVPO1 + OH ----> OH + 0.4857\\*VLVPO1 + 0.0062\\*VSVPO1 + 0.0025\\*VSVPO2 + 0.0026\\*VSVPO3 + 0.0023\\*VIVPO1 + 0.2944\\*VLVOO1 + 0.2021\\*VLVOO2 + 0.0019\\*VSVOO2 + 0.0023\\*VSVOO3 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE2 | VSVPO1 + OH ----> OH + 0.3003\\*VLVPO1 + 0.2862\\*VSVPO1 + 0.0041\\*VSVPO2 + 0.0035\\*VSVPO3 + 0.2239\\*VLVOO1 + 0.1820\\*VLVOO2 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE3 | VSVPO2 + OH ----> OH + 0.3856\\*VLVPO1 + 0.0950\\*VSVPO1 + 0.1373\\*VSVPO2 + 0.0005\\*VSVPO3 + 0.2051\\*VLVOO1 + 0.1764\\*VLVOO2 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE4 | VSVPO3 + OH ----> OH + 0.2181\\*VLVPO1 + 0.3063\\*VSVPO1 + 0.0153\\*VSVPO2 + 0.1043\\*VSVPO3 + 0.1893\\*VLVOO1 + 0.1668\\*VLVOO2 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE5 | VIVPO1 + OH ----> OH + 0.2412\\*VLVPO1 + 0.2089\\*VSVPO1 + 0.3000\\*VSVPO2 + 0.2028\\*VLVOO1 + 0.0471\\*VLVOO2 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE6 | VLVOO1 + OH ----> OH + 0.6664\\*VLVOO1 + 0.0143\\*VLVOO2 + 0.0123\\*VSVOO1 + 0.1239\\*VSVOO2 + 0.1831\\*VSVOO3 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE7 | VLVOO2 + OH ----> OH + 0.2858\\*VLVOO1 + 0.3931\\*VLVOO2 + 0.0139\\*VSVOO1 + 0.1027\\*VSVOO2 + 0.2045\\*VSVOO3 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE8 | VSVOO1 + OH ----> OH + 0.3303\\*VLVOO1 + 0.2272\\*VLVOO2 + 0.2607\\*VSVOO1 + 0.0702\\*VSVOO2 + 0.1116\\*VSVOO3 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE9 | VSVOO2 + OH ----> OH + 0.3444\\*VLVOO1 + 0.2749\\*VLVOO2 + 0.0491\\*VSVOO1 + 0.2577\\*VSVOO2 + 0.0739\\*VSVOO3 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE10 | VSVOO3 + OH ----> OH + 0.3886\\*VLVOO1 + 0.2421\\*VLVOO2 + 0.0640\\*VSVOO1 + 0.0385\\*VSVOO2 + 0.2667\\*VSVOO3 | 4.0000E-11 | 4.0000E-11 |\n| T01 | FORM_PRIMARY + OH ----> OH | 5.40E-12e 135.00/T | 8.4926E-12 |\n| T02 | FORM_PRIMARY + NO3 ----> NO3 | 5.5000E-16 | 5.5000E-16 |\n| T03 | FORM_PRIMARY + O ----> O | 3.40E-11e -1600.00/T | 1.5881E-13 |\n| T04 | FORM_PRIMARY ----> | FORM_R_IUPAC13 | Not Available1 | \n| T05 | FORM_PRIMARY ----> | FORM_M_IUPAC13 | Not Available1 | \n| TCL1 | FORM_PRIMARY + CL ----> CL | 8.20E-11e -34.00/T | 7.3162E-11 |\n| T06 | ALD2_PRIMARY + OH ----> OH | 4.70E-12e 345.00/T | 1.4950E-11 |\n| T07 | ALD2_PRIMARY + NO3 ----> NO3 | 1.40E-12e -1860.00/T | 2.7340E-15 |\n| T08 | ALD2_PRIMARY + O ----> O | 1.80E-11e -1100.00/T | 4.4976E-13 |\n| T09 | ALD2_PRIMARY ----> | ALD2_R_IUPAC13 | Not Available1 | \n| TCL2 | ALD2_PRIMARY + CL ----> CL | 7.9000E-11 | 7.9000E-11 |\n| T10 | BUTADIENE13 + OH ----> OH + 0.5800\\*ACROLEIN | 1.48E-11e 448.00/T | 6.6502E-11 |\n| T11 | BUTADIENE13 + O3 ----> O3 + 0.5200\\*ACROLEIN | 1.34E-14e -2283.00/T | 6.3331E-18 |\n| T12 | BUTADIENE13 + NO3 ----> NO3 + 0.0450\\*ACROLEIN | 1.7900E-13 | 1.7900E-13 |\n| TCL3 | BUTADIENE13 + CL ----> CL + 0.5800\\*ACROLEIN | 2.5100E-10 | 2.5100E-10 |\n| T13 | ACRO_PRIMARY + OH ----> OH | 2.0000E-11 | 2.0000E-11 |\n| T14 | ACRO_PRIMARY + O3 ----> O3 | 2.6100E-19 | 2.6100E-19 |\n| T15 | ACRO_PRIMARY + NO3 ----> NO3 | 1.1500E-15 | 1.1500E-15 |\n| T16 | ACRO_PRIMARY ----> | ACRO_09 | Not Available1 | \n| TCL4 | ACRO_PRIMARY + CL ----> CL | 2.3700E-10 | 2.3700E-10 |\n| T17 | ACROLEIN + OH ----> OH | 2.0000E-11 | 2.0000E-11 |\n| T18 | ACROLEIN + O3 ----> O3 | 2.6100E-19 | 2.6100E-19 |\n| T19 | ACROLEIN + NO3 ----> NO3 | 1.1500E-15 | 1.1500E-15 |\n| T20 | ACROLEIN ----> | ACRO_09 | Not Available1 | \n| TCL5 | ACROLEIN + CL ----> CL | 2.3700E-10 | 2.3700E-10 |\n| T21 | TOLU + OH ----> OH | 1.80E-12e 340.00/T | 5.6302E-12 |\n| TCL6 | TOLU + CL ----> CL | 6.1000E-11 | 6.1000E-11 |\n| HG1 | HG + O3 ----> 0.5000\\*HGIIAER + 0.5000\\*HGIIGAS + O3 | 2.11E-18e -1256.50/T | 3.1191E-20 |\n| HG2 | HG + CL2 ----> HGIIGAS + CL2 | 2.6000E-18 | 2.6000E-18 |\n| HG3 | HG + H2O2 ----> HGIIGAS + H2O2 | 8.5000E-19 | 8.5000E-19 |\n| HG4 | HG + OH ----> 0.5000\\*HGIIAER + 0.5000\\*HGIIGAS + OH | 7.7000E-14 | 7.7000E-14 |\n| HG5 | HG + CL + M ----> 0.5000\\*HG + 0.5000\\*HGIIGAS + CL | 2.25E-33e 680.00/T | 2.2014E-32 |\n| DMS1 | DMS + OH ----> SO2 + MEO2 + FORM | 1.12E-11e -250.00/T | 4.8424E-12 |\n| DMS2 | DMS + OH ----> 0.7500\\*SO2 + 0.2500\\*MSA + MEO2 | ko= 1.99E-39e 5270.0/T(T/300) 0.00
ki = 1.26E-10e -340.0/T(T/300) 0.00
n= 1.00;F= 1.00 | 2.1985E-12 |\n| DMS3 | DMS + NO3 ----> SO2 + HNO3 + MEO2 + FORM | 1.90E-13e 520.00/T | 1.0869E-12 |\n| DMS4 | DMS + CL ----> 0.8600\\*SO2 + MEO2 + 0.4500\\*FORM + 0.4500\\*HCL + 0.1400\\*MSA + 0.5500\\*CLO | 3.40E-13e 2081.00/T | 3.6537E-10 |\n\n0Units molecules/(sec*cm3); Value at 298.15 K; 2.4615E+19 molcules/cm3; 1.00 Atm. \n1Photolysis Reaction;depends on radiation and predicted concentrations \n2Heteorogeneous Reaction;Depends predicted concentrations \n4Set to zero if sun is below the horizon. SEAWATER equals surface fraction covered by ice free open ocean plus surf zones. P equals air pressure in atmospheres. \n7Rate constant multiple of constant for listed reaction \n" }, { "path": "CCTM/src/MECHS/mechanism_information/cb6r5hap_ae7_aq/cb6r5hap_ae7_aq_species_table.md", "content": "**The GC namelist for cb6r5hap_ae7_aq has the following gas phase species.**\n\n| **Model Species** | **Definition** | **Molecular Weight** | **Explicit or Lumped** |\n| ----------------- | ---------------------------------------------------------------------------- | -------------------- | ---------------------- |\n| AACD | acetic acid | 60 | E |\n| ACET | acetone | 58.1 | E |\n| ACRO_PRIMARY | acrolein from emissions only | 56.1 | E |\n| ACROLEIN | acrolein | 56.1 | E |\n| ALD2 | acetaldehyde | 44 | E |\n| ALD2_PRIMARY | acetaldehyde from emissions only | 44 | E |\n| ALDX | aldehydes with 3 or more carbons | 58.1 | L |\n| APIN | alpha pinene | 136.2 | E |\n| BENZENE | benzene | 78.1 | E |\n| BENZRO2 | counter species for aerosol from benzene+OH | 127 | L |\n| BUTADIENE13 | 1,3-butadiene | 54 | E |\n| BZO2 | peroxy radical from benzene reactions with OH | 159.1 | L |\n| C2O3 | acetylperoxy radical | 75 | E |\n| CAT1 | methyl catechols | 124.1 | L |\n| CL | atomic chlorine | 35.5 | E |\n| CL2 | molecular chlorine | 71 | E |\n| CLNO2 | nitryl chloride | 81.5 | E |\n| CLNO3 | chlorine nitrate | 97.5 | E |\n| CLO | chlorine monoxide | 51.5 | E |\n| CO | carbon monoxide | 28 | E |\n| CRES | cresol and higher molecular weight phenols | 108.1 | L |\n| CRO | alkoxy radical from cresol | 107.1 | L |\n| CRON | nitro-cresols | 153.1 | L |\n| CXO3 | acetylperoxy radicals with 3 or more carbons | 89 | L |\n| DMS | dimethylsulfide | 62.0 | E |\n| ECH4 | methane | 16 | E |\n| EPOX | isoprene epoxydiol | 118.1 | L |\n| EPX2 | peroxy radical from EPOX+OH reaction | 149.1 | L |\n| ETH | ethene | 28 | E |\n| ETHA | ethane | 30.1 | E |\n| ETHY | ethyne (acetylene) | 26 | E |\n| ETOH | ethanol | 46.1 | E |\n| FACD | formic acid | 46 | E |\n| FMCL | formylchloride | 64.5 | E |\n| FORM | formaldehyde | 30 | E |\n| FORM_PRIMARY | formaldehyde from emissions only | 30 | E |\n| GLY | glyoxal | 58 | E |\n| GLYD | glycoaldehyde (hydroxyacetaldehyde) | 60 | E |\n| H2NO3PIJ | tracer producing HNO3 or ClNO2 from N2O5 in fine mode aerosols | 64 | E |\n| H2NO3PK | tracer producing HNO3 or ClNO2 from N2O5 in coarse mode aerosols | 64 | E |\n| H2O2 | hydrogen peroxide | 34 | E |\n| HCL | hydrochloric acid | 36.5 | E |\n| HCO3 | radical from HO2 reactions with formaldehyde | 63 | E |\n| HG | elemental mercury | 200.6 | E |\n| HGIIAER | precursor of aerosol divalent mercury | 200.6 | E |\n| HGIIGAS | divalent mercury | 271.5 | E |\n| HNO3 | nitric acid | 63 | E |\n| HO2 | hydroperoxy radical | 33 | E |\n| HOCL | hypochlorous acid | 52.5 | E |\n| HONO | nitrous acid | 47 | E |\n| HPLD | hydroperoxyaldehyde from ISO2 isomerization | 116.1 | L |\n| INTR | nitrate from isoprene | 147.1 | L |\n| IOLE | internal alkene bond | 56.1 | L |\n| ISO2 | isoprene peroxy radical | 117.1 | L |\n| ISOP | isoprene | 68.1 | E |\n| ISOPRXN | counter species for aerosol from isoprene, volatility pathways | 68.1 | L |\n| ISPD | isoprene reaction products (methacrolein, methylvinyl ketone, others) | 70.1 | L |\n| ISPX | hydroperoxide from ISO2 reaction with HO2 | 118.1 | L |\n| KET | carbon-ketone bond | 72.1 | L |\n| MEO2 | methylperoxy radical | 47 | E |\n| MEOH | methanol | 32 | E |\n| MEPX | methylhydroperoxide | 48 | E |\n| MGLY | methyl glyoxal | 72 | E |\n| MMTNO3 | organic nitrates from monoterpene oxidation (Should not to be included for tracking nitrogen) | 231.0 | L |\n| MSA | methane sulfonic acid | 96.0 | E |\n| N2O5 | dinitrogen pentoxide | 108 | E |\n| NAPH | naphthalene | 128.2 | E |\n| NO | nitric oxide | 30 | E |\n| NO2 | nitrogen dioxide | 46 | E |\n| NO3 | nitrate radical | 62 | E |\n| NTR1 | monofunctional organic nitrates | 119.1 | L |\n| NTR2 | multifunctional organic nitrates | 135.1 | L |\n| O | ground-state oxygen atoms, O(3P) | 16 | E |\n| O1D | electronically excited oxygen atoms, O(1D) | 16 | E |\n| O3 | ozone | 48 | E |\n| OH | hydroxyl radical | 17 | E |\n| OLE | terminal alkene bond | 42.1 | L |\n| OPAN | peroxyacylnitrate from OPO3 | 161 | L |\n| OPEN | aromatic ring opening product (an alkene and aldehyde) | 84 | L |\n| OPO3 | peroxyacyl radical from OPEN | 115 | L |\n| PACD | peroxycarboxylic acids | 76 | L |\n| PAHRO2 | counter species for aerosol from NAPH+OH | 187.2 | L |\n| PAN | peroxyacylnitrate | 121 | E |\n| PANX | peroxyacylnitrates with 3 or more carbons | 135 | L |\n| PAR | carbon-carbon single bond | 14.0 | L |\n| PCSOARXN | counter species for potential aerosol from combustion (from PCVOC reactions) | 170 | L |\n| PCVOC | tracer for potential combustion SOA VOCs | 170 | L |\n| PNA | peroxynitric acid | 79 | E |\n| PRPA | propane | 44.1 | E |\n| RO2 | total peroxy radical concentration | 87.1 | L |\n| ROOH | methylhydroperoxide | 90.1 | E |\n| ROR | secondary alkoxy radical | 71.1 | L |\n| SESQ | sesquiterpenes | 204 | L |\n| SESQRXN | counter species for aerosol from sesquiterpenes | 204 | L |\n| SO2 | sulfur dioxide | 64 | E |\n| SOAALK | tracer for alkanes that can form secondary organic aerosol | 112 | L |\n| SULF | sulfuric acid (gaseous) | 98 | E |\n| SULRXN | sulfate aerosol precursor | 98 | E |\n| SVAVB1\t | low volatility organic gas from oxidation of anthropogenic VOCs | 179.0 | L |\n| SVAVB2 | semivolatile organic gas from oxidation of anthropogenic VOCs | 169.0 | L |\n| SVAVB3 | semivolatile organic gas from oxidation of anthropogenic VOCs | 158.0 | L |\n| SVAVB4 | semivolatile organic gas from oxidation of anthropogenic VOCs | 198.0 | L |\n| TERP | monoterpenes | 136.2 | L |\n| TERPNRO2 | counter species for aerosol from TERP + NO3 | 197.0 | L |\n| TO2 | toluene peroxy radical | 173.1 | L |\n| TOL | toluene and other monoalkyl aromatics | 92.1 | L |\n| TOLRO2 | counter species for aerosol from TOL+OH | 141 | L |\n| TOLU | toluene | 92 | E |\n| TRPRXN | counter species for aerosol precursor from monoterpenes | 136.2 | L |\n| VIVPO1 | evaporated primary organic aerosol, intermed-volatility | 266 | L |\n| VLVOO1 | evaporated secondary organic aerosol, low-volatility, cat 1 | 136 | L |\n| VLVOO2 | evaporated secondary organic aerosol, low-volatility, cat 2 | 136 | L |\n| VLVPO1 | evaporated primary organic aerosol, low-volatility | 218 | L |\n| VSVOO1 | evaporated secondary organic aerosol, semi-volatile, cat 1 | 135 | L |\n| VSVOO2 | evaporated secondary organic aerosol, semi-volatile, cat 2 | 135 | L |\n| VSVOO3 | evaporated secondary organic aerosol, semi-volatile, cat 3 | 134 | L |\n| VSVPO1 | evaporated primary organic aerosol, semi-volatile, cat 1 | 230 | L |\n| VSVPO2 | evaporated primary organic aerosol, semi-volatile, cat 2 | 241 | L |\n| VSVPO3 | evaporated primary organic aerosol, semi-volatile, cat 3 | 253 | L |\n| XLO2 | peroxy radical from XYLMN+OH reaction | 187.1 | L |\n| XO2 | NO oxidation to NO2 via peroxy radical | 87.1 | L |\n| XO2H | NO oxidation to NO2 with HO2 production, from alkoxy radicals | 87.1 | L |\n| XO2N | nitrate production from NO reaction with peroxy radical | 87.1 | L |\n| XOPN | product of aromatic ring-opening reaction | 98.1 | L |\n| XPAR | organic nitrate production from PAR | 117.1 | L |\n| XPRP | organic nitrate production from PRPA | 89.1 | L |\n| XYLMN | xylene and other polyalkyl aromatics except naphthalene | 106.2 | L |\n| XYLRO2 | counter species for aerosol from XYLMN+OH | 155 | L |\n\n\n**The AE namelist for cb6r5hap_ae7_aq has the following aerosol species.**\n\n| **Model Species** | **Definition** | **Molecular Weight** | **Explicit or Lumped** |\n| ----------------- | ---------------------------------------------------- | -------------------- | ---------------------- |\n| AAL | Aluminum | 27 | E |\n| AAS | Arsenic | 74.92 | E |\n| AAVB1 | low volatility organic particulate matter from oxidation of anthropogenic VOCs | 198.0 | L |\n| AAVB2 | semivolailte organic particulate matter from oxidation of anthropogenic VOCs | 179.0 | L |\n| AAVB3 | semivolailte organic particulate matter from oxidation of anthropogenic VOCs | 169.0 | L |\n| AAVB4 | semivolailte organic particulate matter from oxidation of anthropogenic VOCs | 158.0 | L |\n| ABE | Beryllium | 9.0 | E |\n| ABENAPY | Aerosol Phase Benzo-a-Pyrene | 252.30 | E |\n| ACA | Calcium | 40.1 | E |\n| ACL | Chloride | 35.5 | E |\n| ACORS | Anthropogenic Coarse-mode particle mass | 100.0 | L |\n| ACR_III | Trivalent Chromium | 52.0 | E |\n| ACR_VI | Hexavalent Chromium | 52.0 | E |\n| ADE_EC | Diesel Elemental Carbon | 12.0 | L |\n| ADE_CORS | Diesel Coarse Primary Particles | 100.0 | L |\n| ADE_NO3 | Diesel Nitrate | 62.0 | E |\n| ADE_OC | Diesel Organic Carbon | 220.0 | L |\n| ADE_OTHR | Other Diesel Fine Primary Particles | 200.0 | L |\n| ADE_SO4 | Diesel Sulfate | 96.0 | E |\n| AEC | Elemental Carbon | 12 | E |\n| AFE | Iron | 55.8 | E |\n| AGLY | Glyoxal and Methylglyoxal SOA in aqueous aerosol material | 66.4 | L |\n| AH2O | Water | 18 | E |\n| AH3OP | Hydronium Ion | 19 | E |\n| AISO1 | Semivolatile SOA Product from Isoprene | 132.0 | L |\n| AISO2 | High-Volatility SOA Product from Isoprene | 133.0 | L |\n| AISO3 | Acid-catalyzed Isoprene Epoxydiol SOA | 168.2 | L |\n| AIVPO1 | Intermediate Volatility Primary Organic Compounds | 266 | L |\n| AK | Potassium | 39.1 | E |\n| ALVOO1 | Low Volatility Oxidized Combustion Organic Compounds | 136 | L |\n| ALVOO2 | Low Volatility Oxidized Combustion Organic Compounds | 136 | L |\n| ALVPO1 | Low Volatility Primary Organic Compounds | 218 | L |\n| AMG | Magnesium | 24.3 | E |\n| AMN | Manganese | 54.9 | E |\n| AMN_HAPS | Manganese based on the Hazardous Air Pollutant Emissions | 54.9 | E |\n| AMT1 | low volatility particulate matter from monoterpene photoxidation, C*=0.01 ug/m3 | 200.0 | L |\n| AMT2 | low volatility particulate matter from monoterpene photoxidation, C*=0.1 ug/m3 | 300.0 | L |\n| AMT3 | semivolailte particulate matter from monoterpene photoxidation, C*=1 ug/m3 | 186.0 | L |\n| AMT4 | semivolatile particulate matter from monoterpene photoxidation, C*=10 ug/m3 | 184.0 | L |\n| AMT5 | semivolatile particulate matter from monoterpene photoxidation, C*=100 ug/m3 | 170.0 | L |\n| AMT6 | semivolatile particulate matter from monoterpene photoxidation, C*=1000 ug/m3 | 168.0 | L |\n| AMTNO3J | semivolatile organic nitrates from monoterpene oxidation (Should not to be included for tracking nitrogen) | 231.0 | L |\n| AMTHYDJ | organic pseudo-hydrolysis accretion product from monoterpene organic nitrates (AMTNO3J) | 168.0| L |\n| ANA | Sodium | 23 | E |\n| ANH4 | Ammonium | 18 | E |\n| ANI | Nickel | 58.7 | E |\n| ANO3 | Nitrate | 62 | E |\n| AOLGA | Oligomer products of anthropogenic SOA compounds | 206.0 | L |\n| AOLGB | Oligomer products of biogenic SOA compounds | 248.0 | L |\n| AORGC | Glyoxal and methylglyoxal SOA produced in cloud water | 177.0 | L |\n| AORGH2O | Water associated with organic species of particulate matter | 18.0 | E |\n| AOTHR | Other Particulate Mass | 200 | L |\n| APB | Lead | 207.2 | E |\n| APCSO | Potential Combustion SOA | 170 | L |\n| APHG | Mercury | 200.5 | E |\n| APB | Lead | 207.2 | E |\n| APCSO | Potential Combustion SOA | 170 | L |\n| APHG | Mercury | 200.5 | E |\n| APNCOM | Non-Carbon Organic Matter associated with APOC | 220.0 | L |\n| APOC | Primary Organic Carbon | 220.0 | L |\n| ASEACAT | Sea spray cations | 23.75 | L |\n| ASI | Silicon | 28.1 | E |\n| ASO4 | Sulfate | 96 | E |\n| ASOIL | Lumped crustal species | 100.0 | L |\n| ASQT | Semivolatile SOA Product from Sesquiterpenes | 273.0 | L |\n| ASVOO1 | Semivolatile Oxidized Combustion Organic Compounds | 135 | L |\n| ASVOO2 | Semivolatile Oxidized Combustion Organic Compounds | 135 | L |\n| ASVOO3 | Semivolatile Oxidized Combustion Organic Compounds | 134 | L |\n| ASVPO1 | Semivolatile Primary Organic Compounds | 230 | L |\n| ASVPO2 | Semivolatile Primary Organic Compounds | 241 | L |\n| ASVPO3 | Semivolatile Primary Organic Compounds | 253 | L |\n| ATI | Titanium | 47.9 | E |\n| NUMACC | Accum. Mode Number Conc | NA | NA |\n| NUMAIT | Aitken Mode Number Conc | NA | NA |\n| NUMCOR | Coarse Mode Number Conc | NA | NA |\n| SRFACC | Accum. Mode Surface Area Conc | NA | NA |\n| SRFAIT | Aitken Mode Surface Area Conc | NA | NA |\n| SRFCOR | Coarse Mode Surface Area Conc | NA | NA |\n\nNote that for each aerosol mass species, a letter will be appended to the names below in order to designate the size, or mode, of the aerosol being represented: I = Aitken mode, J = Accumulation mode, K = Coarse mode. \n\n**The NR namelist for cb6r5hap_ae7_aq has the following gas phase species.**\n\n| **Model Species** | **Definition** | **Molecular Weight** | **Explicit or Lumped** |\n| ----------------- | ---------------------------------------------------- | -------------------- | ---------------------- |\n| ACET_NITRILE | acetonitrile | 41.05 | E |\n| ACRYACID | acrylic acid | 72.06 | E |\n| ACRY_NITRILE | Acrylonitrile | 53.10 | E | \n| BENAPY | Gaseous Benzo-a-Pyrene | 252.30 | E |\n| BR2_C2_12 | 1,2-Dibromoethane | 187.90 | E | \n| CARBONTET | Carbon Tetrachloride | 153.80 | E | \n| CARBSULFIDE | carbonyl sulfide | 60.10 | E |\n| CHLOROPRENE | chloroprene | 88.50 | E |\n| CL2_C2_12 | 1,2-Dichloroethane | 99.00 | E | \n| CL4_ETHANE | 1,1,2,2-Tetrachloroethane | 167.90 | E | \n| CL2_ME | Methylene Chloride | 84.90 | E | \n| CL4_ETHE | Perchloroethylene | 165.80 | E | \n| CL3_ETHE | Trichloroethylene | 131.40 | E | \n| CL_ETHE | Vinyl Chloride | 62.50 | E | \n| CHCL3 | Chloroform | 119.40 | E | \n| DICL_BENZENE | 1,4-Dichlorobenzene | 147.00 | E | \n| DICL_PROPENE | 1,3-Dichloropropene | 99.00 | E | \n| ETHYLBENZENE | ethyl benzene | 106.00 | E |\n| ETOX | Ethylene Oxide | 44.10 | E | \n| HEXANE | n-Hexane | 86.00 | E |\n| HYDRAZINE | Hydrazine | 168.20 | E | \n| HEXMETHY_DIS | Hexamethylene 1,6-Diisocyanate | 98.00 | E | \n| LVPCSOG | surrogate SOA precursor gas for combustion/anthropogenic sources | 170.00 | L | \n| MAL_ANHYDRID | Maleic Anhydride | 174.20 | E | \n| METHCHLORIDE | methyl chloride | 50.40 | E |\n| NAPHTHALENE | Naphthalene | 128.20 | E | \n| NH3 | ammonia | 17.00 | E | \n| PAH_000E0 | Lumped POM or PAHs Inert Tracer with a 0.0 Unit Risk Exposure1 | 186.2 | L |\n| PAH_176E5 | Lumped POM or PAHs Inert Tracer with a 0.0000096 Unit Risk Exposure | 197.7 | L |\n| PAH_880E5 | Lumped POM or PAHs Inert Tracer with a 0.000048 Risk Exposure | 197.9 | L |\n| PAH_176E4 | Lumped POM or PAHs Inert Tracer with a 0.000096 zero Unit Risk Exposure | 254.4 | L |\n| PAH_176E3 | Lumped POM or PAHs Inert Tracer with a 0.00096 Unit Risk Exposure | 259.3 | L |\n| PAH_192E3 | Lumped POM or PAHs Inert Tracer with a 0.00099 Unit Risk Exposure | 278.3 | L |\n| PAH_101E2 | Lumped POM or PAHs Inert Tracer with a 0.01008 Unit Risk Exposure | 268.4 | L |\n| PAH_176E2 | Lumped POM or PAHs Inert Tracer with a 0.0096 Unit Risk Exposure | 302.4 | L |\n| PAH_114E1 | Lumped POM or PAHs Inert Tracer with a 0.1136 Unit Risk Exposure | 256.3 | L |\n| PROPYL_DICL | Propylene Dichloride | 113.00 | E | \n| QUINOLINE | Quinoline | 129.20 | E | \n| STYRENE | sytrene | 104.15 | E |\n| SVMT1 | low volatility gas from monoterpene photoxidation | 300.0 | L |\n| SVMT2 | low volatility gas from monoterpene photoxidation | 200.0 | L |\n| SVMT3 | semivolatile gas from monoterpene photoxidation | 186.0 | L |\n| SVMT4 | semivolatile gas from monoterpene photoxidation | 184.0 | L |\n| SVMT5 | semivolatile gas from monoterpene photoxidation | 170.0 | L |\n| SVMT6 | semivolatile gas from monoterpene photoxidation | 168.0 | L |\n| SVISO1 | semivolatile gas of secondary aerosol material from isoprene | 132.0 | L | \n| SVISO2 | semivolatile gas of secondary aerosol material from isoprene | 133.0 | L | \n| SVSQT | semivolatile gas of secondary aerosol material from sesquiterpenes | 273.0 | L | \n| TOL_DIIS | 2,4-Toluene Diisocyanate | 32.00 | E | \n| TRIETHYLAMIN | Triethylamine | 101.20 | E | \n| XYLENE | O-,M-, and P-xylene isomers | 106.20 | L |\n\n1. The Unit Risk Exposure respresents excess lifetime risk of cancer from continuous exposure to an agent at an air concentration of 1 µg/m3.\nInterpret the URE as if an URE of 1.5 x 10-6, produces 1.5 excess tumors to develop per 1,000,000 people when they are exposed daily to 1 µg/m3 over a lifetime.\n Note that URE is usually not a statistical confidence limit and is considered a plausible upper limit to the true value. The true limit is likely to be less, but could be greater. \n" }, { "path": "CCTM/src/MECHS/mechanism_information/cb6r5hap_ae7_aq/mech_cb6r5hap_ae7_aq.md", "content": "Information is based on the mech.def file.\n* Fall-off or pressure dependent reaction rate constants (M equals air number density):\n * For rate constants with ko, ki, n, F values: k = [ koM/(1+koM/ki)]FG, where G=(1+(log10(koM/ki)/n)2))-1 \n * For rate constants with k1, k2: k = k1 + k2M\n * For rate constants with k0, k2, k3: k = k0 + k3M/(1+k3M/k2)\n * For rate constants with k1, k2, k3: k = k1 + k2M + k3 \n\n* For rate constants with the form A<_Reference_>, k equals A times a reference that represents photolysis rate, a heteorogeneous rate constant, rate constant for the given reaction or an operator. A equals one if not given.\n\n* In the mechanism definition file, the rate is formatted as\n * A~<_HETEOROGENEOUS_>\n * A*K<_REACTION_>\n * A/<_PHOTOLYSIS_>\n * A?<_OPERATOR_>\n\n|Label|Reaction |Rate Constant Formula| Value
molecules/(sec*cm3)| \n|:---|:-------------------|:--------------------|:----:| \n| R1 | NO2 ----> NO + O | NO2_IUPAC10 | Not Available1 | \n| R2 | O + O2 + M ----> O3 | 6.00E-34(T/300) -2.60 | 6.0973E-34 |\n| R3 | O3 + NO ----> NO2 | 2.07E-12e -1400.00/T | 1.8910E-14 |\n| R4 | O + NO ----> NO2 | ko= 1.00E-31e 0.0/T(T/300) -1.60
ki = 5.00E-11e 0.0/T(T/300) 0.30
n= 0.84;F= 0.85 | 2.2577E-12 |\n| R5 | O + NO2 ----> NO | 5.10E-12e 198.00/T | 9.9079E-12 |\n| R6 | O + NO2 ----> NO3 | ko= 1.30E-31e 0.0/T(T/300) -1.50
ki = 2.30E-11e 0.0/T(T/300) 0.24
n= 1.03;F= 0.60 | 2.0907E-12 |\n| R7 | O + O3 ----> | 8.00E-12e -2060.00/T | 7.9879E-15 |\n| R8 | O3 ----> O | O3_O3P_IUPAC10 | Not Available1 | \n| R9 | O3 ----> O1D | O3_O1D_IUPAC10 | Not Available1 | \n| R10 | O1D + M ----> O | 2.23E-11e 115.00/T | 3.2796E-11 |\n| R11 | O1D + H2O ----> 2.000\\*OH | 2.1400E-10 | 2.1400E-10 |\n| R12 | O3 + OH ----> HO2 | 1.70E-12e -940.00/T | 7.2647E-14 |\n| R13 | O3 + HO2 ----> OH | 2.03E-16e 693.00/T(T/300) 4.57 | 2.0168E-15 |\n| R14 | OH + O ----> HO2 | 2.40E-11e 110.00/T | 3.4709E-11 |\n| R15 | HO2 + O ----> OH | 3.00E-11e 200.00/T | 5.8674E-11 |\n| R16 | OH + OH ----> O | 6.20E-14e 945.00/T(T/300) 2.60 | 1.4519E-12 |\n| R17 | OH + OH ----> H2O2 | ko= 9.00E-31e 0.0/T(T/300) -3.20
ki = 3.90E-11e 0.0/T(T/300) -0.47
n= 1.23;F= 0.42 | 6.2071E-12 |\n| R18 | OH + HO2 ----> | 4.80E-11e 250.00/T | 1.1102E-10 |\n| R19 | HO2 + HO2 ----> H2O2 | k0= 2.20E-13e 600.0/T
k1= 1.90E-33e 980.0/T | 2.8975E-12 |\n| R20 | HO2 + HO2 + H2O ----> H2O2 | k0= 3.08E-34e 2800.0/T
k1= 2.66E-54e 3180.0/T | 6.4973E-30 |\n| R21 | H2O2 ----> 2.000\\*OH | H2O2_IUPAC10 | Not Available1 | \n| R22 | H2O2 + OH ----> HO2 | 1.8000E-12 | 1.8000E-12 |\n| R23 | H2O2 + O ----> OH + HO2 | 1.40E-12e -2000.00/T | 1.7095E-15 |\n| R24 | NO + NO + O2 ----> 2.000\\*NO2 | 4.25E-39e 664.00/T | 3.9409E-38 |\n| R25 | HO2 + NO ----> OH + NO2 | 3.45E-12e 270.00/T | 8.5332E-12 |\n| R26 | NO2 + O3 ----> NO3 | 1.40E-13e -2470.00/T | 3.5339E-17 |\n| R27 | NO3 ----> NO2 + O | NO3NO2_06 | Not Available1 | \n| R28 | NO3 ----> NO | NO3NO_06 | Not Available1 | \n| R29 | NO3 + NO ----> 2.000\\*NO2 | 1.80E-11e 110.00/T | 2.6032E-11 |\n| R30 | NO3 + NO2 ----> NO + NO2 | 4.50E-14e -1260.00/T | 6.5744E-16 |\n| R31 | NO3 + O ----> NO2 | 1.7000E-11 | 1.7000E-11 |\n| R32 | NO3 + OH ----> HO2 + NO2 | 2.0000E-11 | 2.0000E-11 |\n| R33 | NO3 + HO2 ----> OH + NO2 | 4.0000E-12 | 4.0000E-12 |\n| R34 | NO3 + O3 ----> NO2 | 1.0000E-17 | 1.0000E-17 |\n| R35 | NO3 + NO3 ----> 2.000\\*NO2 | 8.50E-13e -2450.00/T | 2.2944E-16 |\n| R36 | NO3 + NO2 ----> N2O5 | ko= 3.60E-30e 0.0/T(T/300) -4.10
ki = 1.90E-12e 0.0/T(T/300) 0.20
n= 1.33;F= 0.35 | 1.2406E-12 |\n| R37 | N2O5 ----> NO3 + NO2 | ko= 1.30E-03e-11000.0/T(T/300) -3.50
ki = 9.70E+14e-11080.0/T(T/300) 0.10
n= 1.33;F= 0.35 | 4.5396E-02 |\n| R38 | N2O5 ----> NO2 + NO3 | N2O5_IUPAC10 | Not Available1 | \n| R39 | N2O5 + H2O ----> 2.000\\*HNO3 | 1.0000E-22 | 1.0000E-22 |\n| R40 | NO + OH ----> HONO | ko= 7.40E-31e 0.0/T(T/300) -2.40
ki = 3.30E-11e 0.0/T(T/300) -0.30
n= 0.87;F= 0.81 | 9.7627E-12 |\n| R41 | NO + NO2 + H2O ----> 2.000\\*HONO | 5.0000E-40 | 5.0000E-40 |\n| R42 | HONO + HONO ----> NO + NO2 | 1.0000E-20 | 1.0000E-20 |\n| R43 | HONO ----> NO + OH | HONO_IUPAC10 | Not Available1 | \n| R44 | HONO + OH ----> NO2 | 2.50E-12e 260.00/T | 5.9795E-12 |\n| R45 | NO2 + OH ----> HNO3 | ko= 1.80E-30e 0.0/T(T/300) -3.00
ki = 2.80E-11e 0.0/T(T/300) 0.00
n= 1.00;F= 0.60 | 1.0589E-11 |\n| R46 | HNO3 + OH ----> NO3 | k0= 2.40E-14e 460.0/T
k1= 2.70E-17e 2199.0/T
k3= 6.50E-34e 1335.0/T | 1.5409E-13 |\n| R47 | HNO3 ----> OH + NO2 | HNO3_IUPAC10 | Not Available1 | \n| R48 | HO2 + NO2 ----> PNA | ko= 1.40E-31e 0.0/T(T/300) -3.10
ki = 4.00E-12e 0.0/T(T/300) 0.00
n= 1.26;F= 0.40 | 7.4949E-13 |\n| R49 | PNA ----> HO2 + NO2 | ko= 4.10E-05e-10650.0/T(T/300) 0.00
ki = 6.00E+15e-11170.0/T(T/300) 0.00
n= 1.26;F= 0.40 | 6.3131E-02 |\n| R50 | PNA ----> 0.590\\*HO2 + 0.590\\*NO2 + 0.410\\*OH + 0.410\\*NO3 | PNA_IUPAC10 | Not Available1 | \n| R51 | PNA + OH ----> NO2 | 3.20E-13e 690.00/T | 3.2376E-12 |\n| R52 | SO2 + OH ----> SULF + HO2 + SULRXN | ko= 2.80E-31e 0.0/T(T/300) -2.60
ki = 2.00E-12e 0.0/T(T/300) 0.00
n= 1.10;F= 0.53 | 9.3422E-13 |\n| R53 | C2O3 + NO ----> NO2 + MEO2 + RO2 | 7.50E-12e 290.00/T | 1.9837E-11 |\n| R54 | C2O3 + NO2 ----> PAN | ko= 3.61E-28e 0.0/T(T/300) -6.87
ki = 1.24E-11e 0.0/T(T/300) -1.10
n= 1.41;F= 0.30 | 9.8670E-12 |\n| R55 | PAN ----> NO2 + C2O3 | ko= 1.10E-05e-10100.0/T(T/300) 0.00
ki = 1.90E+17e-14100.0/T(T/300) 0.00
n= 1.41;F= 0.30 | 4.4073E-04 |\n| R56 | PAN ----> 0.600\\*NO2 + 0.600\\*C2O3 + 0.400\\*NO3 + 0.400\\*MEO2 + 0.400\\*RO2 | PAN_IUPAC10 | Not Available1 | \n| R57 | C2O3 + HO2 ----> 0.370\\*PACD + 0.130\\*AACD + 0.130\\*O3 + 0.500\\*MEO2 + 0.500\\*RO2 + 0.500\\*OH | 3.14E-12e 580.00/T | 2.1967E-11 |\n| R58 | C2O3 + RO2 ----> MEO2 | 4.40E-13e 1070.00/T | 1.5924E-11 |\n| R59 | C2O3 + C2O3 ----> 2.000\\*MEO2 + 2.000\\*RO2 | 2.90E-12e 500.00/T | 1.5514E-11 |\n| R60 | C2O3 + CXO3 ----> MEO2 + ALD2 + XO2H + 2.000\\*RO2 | R59 | 1.5514E-117| \n| R61 | CXO3 + NO ----> NO2 + ALD2 + XO2H + RO2 | 6.70E-12e 340.00/T | 2.0957E-11 |\n| R62 | CXO3 + NO2 ----> PANX | 8.4000E-01\\*R54 | 8.2883E-127| \n| R63 | PANX ----> NO2 + CXO3 | 8.4000E-01\\*R55 | 3.7022E-047| \n| R64 | PANX ----> 0.600\\*NO2 + 0.600\\*CXO3 + 0.400\\*NO3 + 0.400\\*ALD2 + 0.400\\*XO2H + 0.400\\*RO2 | PAN_IUPAC10 | Not Available1 | \n| R65 | CXO3 + HO2 ----> 0.370\\*PACD + 0.130\\*AACD + 0.130\\*O3 + 0.500\\*OH + 0.500\\*MEO2 + 0.500\\*RO2 | R57 | 2.1967E-117| \n| R66 | CXO3 + RO2 ----> MEO2 | R58 | 1.5924E-117| \n| R67 | CXO3 + CXO3 ----> 2.000\\*MEO2 + 2.000\\*RO2 | R59 | 1.5514E-117| \n| R68 | RO2 + NO ----> NO | 2.40E-12e 360.00/T | 8.0278E-12 |\n| R69 | RO2 + HO2 ----> HO2 | 4.80E-13e 800.00/T | 7.0234E-12 |\n| R70 | RO2 + RO2 ----> | 6.50E-14e 500.00/T | 3.4772E-13 |\n| R71 | MEO2 + NO ----> FORM + HO2 + NO2 | 2.30E-12e 360.00/T | 7.6933E-12 |\n| R72 | MEO2 + HO2 ----> 0.900\\*MEPX + 0.100\\*FORM | 3.80E-13e 780.00/T | 5.1994E-12 |\n| R73 | MEO2 + C2O3 ----> FORM + 0.900\\*HO2 + 0.900\\*MEO2 + 0.100\\*AACD + 0.900\\*RO2 | 2.00E-12e 500.00/T | 1.0699E-11 |\n| R74 | MEO2 + RO2 ----> 0.685\\*FORM + 0.315\\*MEOH + 0.370\\*HO2 + RO2 | R70 | 3.4772E-137| \n| R75 | XO2H + NO ----> NO2 + HO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| R76 | XO2H + HO2 ----> ROOH | 6.80E-13e 800.00/T | 9.9498E-12 |\n| R77 | XO2H + C2O3 ----> 0.800\\*HO2 + 0.800\\*MEO2 + 0.200\\*AACD + 0.800\\*RO2 | R58 | 1.5924E-117| \n| R78 | XO2H + RO2 ----> 0.600\\*HO2 + RO2 | R70 | 3.4772E-137| \n| R79 | XO2 + NO ----> NO2 | R75 | 9.0313E-127| \n| R80 | XO2 + HO2 ----> ROOH | R76 | 9.9498E-127| \n| R81 | XO2 + C2O3 ----> 0.800\\*MEO2 + 0.200\\*AACD + 0.800\\*RO2 | R58 | 1.5924E-117| \n| R82 | XO2 + RO2 ----> RO2 | R70 | 3.4772E-137| \n| R83 | XO2N + NO ----> 0.500\\*NTR1 + 0.500\\*NTR2 | R75 | 9.0313E-127| \n| R84 | XO2N + HO2 ----> ROOH | R76 | 9.9498E-127| \n| R85 | XO2N + C2O3 ----> 0.800\\*HO2 + 0.800\\*MEO2 + 0.200\\*AACD + 0.800\\*RO2 | R58 | 1.5924E-117| \n| R86 | XO2N + RO2 ----> RO2 | R70 | 3.4772E-137| \n| R87 | MEPX + OH ----> 0.600\\*MEO2 + 0.600\\*RO2 + 0.400\\*FORM + 0.400\\*OH | 5.30E-12e 190.00/T | 1.0024E-11 |\n| R88 | MEPX ----> MEO2 + RO2 + OH | MEPX_IUPAC10 | Not Available1 | \n| R89 | ROOH + OH ----> 0.540\\*XO2H + 0.060\\*XO2N + 0.600\\*RO2 + 0.400\\*OH | 5.30E-12e 190.00/T | 1.0024E-11 |\n| R90 | ROOH ----> HO2 + OH | MEPX_IUPAC10 | Not Available1 | \n| R91 | NTR1 + OH ----> NTR2 | 2.0000E-12 | 2.0000E-12 |\n| R92 | NTR1 ----> NO2 | NTR_IUPAC10 | Not Available1 | \n| R93 | FACD + OH ----> HO2 | 4.5000E-13 | 4.5000E-13 |\n| R94 | AACD + OH ----> MEO2 + RO2 | 4.00E-14e 850.00/T | 6.9214E-13 |\n| R95 | PACD + OH ----> C2O3 | 5.30E-12e 190.00/T | 1.0024E-11 |\n| R96 | FORM + OH ----> HO2 + CO | 5.40E-12e 135.00/T | 8.4926E-12 |\n| R97 | FORM ----> 2.000\\*HO2 + CO | FORM_R_IUPAC13 | Not Available1 | \n| R98 | FORM ----> CO | FORM_M_IUPAC13 | Not Available1 | \n| R99 | FORM + O ----> OH + HO2 + CO | 3.40E-11e -1600.00/T | 1.5881E-13 |\n| R100 | FORM + NO3 ----> HNO3 + HO2 + CO | 5.5000E-16 | 5.5000E-16 |\n| R101 | FORM + HO2 ----> HCO3 | 9.70E-15e 625.00/T | 7.8916E-14 |\n| R102 | HCO3 ----> FORM + HO2 | 2.40E+12e -7000.00/T | 1.5268E+02 |\n| R103 | HCO3 + NO ----> FACD + NO2 + HO2 | 5.6000E-12 | 5.6000E-12 |\n| R104 | HCO3 + HO2 ----> 0.500\\*MEPX + 0.500\\*FACD + 0.200\\*OH + 0.200\\*HO2 | 5.60E-15e 2300.00/T | 1.2544E-11 |\n| R105 | ALD2 + O ----> C2O3 + OH | 1.80E-11e -1100.00/T | 4.4976E-13 |\n| R106 | ALD2 + OH ----> C2O3 | 4.70E-12e 345.00/T | 1.4950E-11 |\n| R107 | ALD2 + NO3 ----> C2O3 + HNO3 | 1.40E-12e -1860.00/T | 2.7340E-15 |\n| R108 | ALD2 ----> MEO2 + RO2 + CO + HO2 | ALD2_R_IUPAC13 | Not Available1 | \n| R109 | ALDX + O ----> CXO3 + OH | 1.30E-11e -870.00/T | 7.0255E-13 |\n| R110 | ALDX + OH ----> CXO3 | 4.90E-12e 405.00/T | 1.9060E-11 |\n| R111 | ALDX + NO3 ----> CXO3 + HNO3 | 6.3000E-15 | 6.3000E-15 |\n| R112 | ALDX ----> ALD2 + XO2H + RO2 + CO + HO2 | ALDX_R_IUPAC13 | Not Available1 | \n| R113 | GLYD + OH ----> 0.200\\*GLY + 0.200\\*HO2 + 0.800\\*C2O3 | 8.0000E-12 | 8.0000E-12 |\n| R114 | GLYD ----> 0.740\\*FORM + 0.890\\*CO + 1.400\\*HO2 + 0.150\\*MEOH + 0.190\\*OH + 0.110\\*GLY + 0.110\\*XO2H + 0.110\\*RO2 | GLYD_IUPAC13 | Not Available1 | \n| R115 | GLYD + NO3 ----> HNO3 + C2O3 | R107 | 2.7340E-157| \n| R116 | GLY + OH ----> 1.800\\*CO + 0.200\\*XO2 + 0.200\\*RO2 + HO2 | 3.10E-12e 340.00/T | 9.6965E-12 |\n| R117 | GLY ----> 2.000\\*HO2 + 2.000\\*CO | GLY_R_IUPAC13 | Not Available1 | \n| R118 | GLY + NO3 ----> HNO3 + 1.500\\*CO + 0.500\\*XO2 + 0.500\\*RO2 + HO2 | 4.0000E-16 | 4.0000E-16 |\n| R119 | MGLY ----> C2O3 + HO2 + CO | MGLY_IUPAC10 | Not Available1 | \n| R120 | MGLY + NO3 ----> HNO3 + C2O3 + XO2 + RO2 | 5.0000E-16 | 5.0000E-16 |\n| R121 | MGLY + OH ----> C2O3 + CO | 1.90E-12e 575.00/T | 1.3071E-11 |\n| R122 | OH + H2 ----> HO2 | 7.70E-12e -2100.00/T | 6.7230E-15 |\n| R123 | CO + OH ----> HO2 | k0= 1.44E-13e 0.0/T
k1= 3.43E-33e 0.0/T | 2.2843E-13 |\n| R124 | OH + CH4 ----> MEO2 + RO2 | 1.85E-12e -1690.00/T | 6.3895E-15 |\n| R125 | ETHA + OH ----> 0.991\\*ALD2 + 0.991\\*XO2H + 0.009\\*XO2N + RO2 | 6.90E-12e -1000.00/T | 2.4111E-13 |\n| R126 | MEOH + OH ----> FORM + HO2 | 2.85E-12e -345.00/T | 8.9600E-13 |\n| R127 | ETOH + OH ----> 0.950\\*ALD2 + 0.900\\*HO2 + 0.100\\*XO2H + 0.100\\*RO2 + 0.078\\*FORM + 0.011\\*GLYD | 3.00E-12e 20.00/T | 3.2081E-12 |\n| R128 | KET ----> 0.500\\*ALD2 + 0.500\\*C2O3 + 0.500\\*XO2H + 0.500\\*CXO3 + 0.500\\*MEO2 + RO2 - 2.500\\*PAR | KET_IUPAC10 | Not Available1 | \n| R129 | ACET ----> 0.380\\*CO + 1.380\\*MEO2 + 1.380\\*RO2 + 0.620\\*C2O3 | ACET_IUPAC10 | Not Available1 | \n| R130 | ACET + OH ----> FORM + C2O3 + XO2 + RO2 | 1.41E-12e -620.60/T | 1.7589E-13 |\n| R131 | PRPA + OH ----> XPRP | 7.60E-12e -585.00/T | 1.0683E-12 |\n| R132 | PAR + OH ----> XPAR | 8.1000E-13 | 8.1000E-13 |\n| R133 | ROR ----> 0.200\\*KET + 0.420\\*ACET + 0.740\\*ALD2 + 0.370\\*ALDX + 0.040\\*XO2N + 0.940\\*XO2H + 0.980\\*RO2 + 0.020\\*ROR - 2.700\\*PAR | 5.70E+12e -5780.00/T | 2.1704E+04 |\n| R134 | ROR + O2 ----> KET + HO2 | 1.50E-14e -200.00/T | 7.6695E-15 |\n| R135 | ROR + NO2 ----> NTR1 | 8.60E-12e 400.00/T | 3.2897E-11 |\n| R136 | ETHY + OH ----> 0.700\\*GLY + 0.700\\*OH + 0.300\\*FACD + 0.300\\*CO + 0.300\\*HO2 | ko= 5.00E-30e 0.0/T(T/300) -1.50
ki = 1.00E-12e 0.0/T(T/300) 0.00
n= 1.30;F= 0.37 | 7.5233E-13 |\n| R137 | ETH + O ----> FORM + HO2 + CO + 0.700\\*XO2H + 0.700\\*RO2 + 0.300\\*OH | 1.04E-11e -792.00/T | 7.3010E-13 |\n| R138 | ETH + OH ----> XO2H + RO2 + 1.560\\*FORM + 0.220\\*GLYD | ko= 8.60E-29e 0.0/T(T/300) -3.10
ki = 9.00E-12e 0.0/T(T/300) -0.85
n= 1.15;F= 0.48 | 7.8392E-12 |\n| R139 | ETH + O3 ----> FORM + 0.350\\*CO + 0.270\\*HO2 + 0.170\\*OH + 0.420\\*FACD | 6.82E-15e -2500.00/T | 1.5567E-18 |\n| R140 | ETH + NO3 ----> 0.500\\*NO2 + 0.500\\*NTR1 + 0.500\\*XO2H + 0.500\\*XO2 + RO2 + 1.125\\*FORM | 3.30E-12e -2880.00/T | 2.1058E-16 |\n| R141 | OLE + O ----> 0.200\\*ALD2 + 0.300\\*ALDX + 0.100\\*HO2 + 0.200\\*XO2H + 0.200\\*CO + 0.200\\*FORM + 0.010\\*XO2N + 0.210\\*RO2 + 0.200\\*PAR + 0.100\\*OH | 1.00E-11e -280.00/T | 3.9097E-12 |\n| R142 | OLE + OH ----> 0.781\\*FORM + 0.488\\*ALD2 + 0.488\\*ALDX + 0.976\\*XO2H + 0.195\\*XO2 + 0.024\\*XO2N + 1.195\\*RO2 - 0.730\\*PAR | ko= 8.00E-27e 0.0/T(T/300) -3.50
ki = 3.00E-11e 0.0/T(T/300) -1.00
n= 1.13;F= 0.50 | 2.8547E-11 |\n| R143 | OLE + O3 ----> 0.295\\*ALD2 + 0.555\\*FORM + 0.270\\*ALDX + 0.150\\*XO2H + 0.150\\*RO2 + 0.334\\*OH + 0.080\\*HO2 + 0.378\\*CO + 0.075\\*GLY + 0.075\\*MGLY + 0.090\\*FACD + 0.130\\*AACD + 0.040\\*H2O2 - 0.790\\*PAR | 5.50E-15e -1880.00/T | 1.0044E-17 |\n| R144 | OLE + NO3 ----> 0.500\\*NO2 + 0.500\\*NTR1 + 0.480\\*XO2 + 0.480\\*XO2H + 0.040\\*XO2N + RO2 + 0.500\\*FORM + 0.250\\*ALD2 + 0.375\\*ALDX - PAR | 4.60E-13e -1155.00/T | 9.5576E-15 |\n| R145 | IOLE + O ----> 1.240\\*ALD2 + 0.660\\*ALDX + 0.100\\*XO2H + 0.100\\*RO2 + 0.100\\*CO + 0.100\\*PAR | 2.3000E-11 | 2.3000E-11 |\n| R146 | IOLE + OH ----> 1.300\\*ALD2 + 0.700\\*ALDX + XO2H + RO2 | 1.05E-11e 519.00/T | 5.9866E-11 |\n| R147 | IOLE + O3 ----> 0.732\\*ALD2 + 0.442\\*ALDX + 0.128\\*FORM + 0.245\\*CO + 0.500\\*OH + 0.300\\*XO2H + 0.300\\*RO2 + 0.240\\*GLY + 0.060\\*MGLY + 0.290\\*PAR + 0.080\\*AACD + 0.080\\*H2O2 | 4.70E-15e -1013.00/T | 1.5723E-16 |\n| R148 | IOLE + NO3 ----> 0.500\\*NO2 + 0.500\\*NTR1 + 0.480\\*XO2 + 0.480\\*XO2H + 0.040\\*XO2N + RO2 + 0.500\\*ALD2 + 0.625\\*ALDX + PAR | 3.7000E-13 | 3.7000E-13 |\n| R149 | ISOP + OH ----> ISO2 + RO2 + ISOPRXN | 2.70E-11e 390.00/T | 9.9873E-11 |\n| R150 | ISOP + O ----> 0.750\\*ISPD + 0.500\\*FORM + 0.250\\*XO2 + 0.250\\*RO2 + 0.250\\*HO2 + 0.250\\*CXO3 + 0.250\\*PAR | 3.0000E-11 | 3.0000E-11 |\n| R151 | ISO2 + NO ----> 0.100\\*INTR + 0.900\\*NO2 + 0.673\\*FORM + 0.900\\*ISPD + 0.818\\*HO2 + 0.082\\*XO2H + 0.082\\*RO2 | 2.39E-12e 365.00/T | 8.1296E-12 |\n| R152 | ISO2 + HO2 ----> 0.880\\*ISPX + 0.120\\*OH + 0.120\\*HO2 + 0.120\\*FORM + 0.120\\*ISPD | 7.43E-13e 700.00/T | 7.7737E-12 |\n| R153 | ISO2 + C2O3 ----> 0.598\\*FORM + ISPD + 0.728\\*HO2 + 0.072\\*XO2H + 0.800\\*MEO2 + 0.200\\*AACD + 0.872\\*RO2 | R58 | 1.5924E-117| \n| R154 | ISO2 + RO2 ----> 0.598\\*FORM + ISPD + 0.728\\*HO2 + 0.072\\*XO2H + 1.072\\*RO2 | R70 | 3.4772E-137| \n| R155 | ISO2 ----> HO2 + HPLD | 3.30E+09e -8300.00/T | 2.6821E-03 |\n| R156 | ISOP + O3 ----> 0.600\\*FORM + 0.650\\*ISPD + 0.150\\*ALDX + 0.200\\*CXO3 + 0.350\\*PAR + 0.266\\*OH + 0.200\\*XO2 + 0.200\\*RO2 + 0.066\\*HO2 + 0.066\\*CO | 1.03E-14e -1995.00/T | 1.2790E-17 |\n| R157 | ISOP + NO3 ----> 0.350\\*NO2 + 0.650\\*NTR2 + 0.640\\*XO2H + 0.330\\*XO2 + 0.030\\*XO2N + RO2 + 0.350\\*FORM + 0.350\\*ISPD + ISOPRXN | 3.03E-12e -448.00/T | 6.7433E-13 |\n| R158 | ISPD + OH ----> 0.022\\*XO2N + 0.521\\*XO2 + 0.115\\*MGLY + 0.115\\*MEO2 + 0.269\\*GLYD + 0.269\\*C2O3 + 0.457\\*OPO3 + 0.117\\*PAR + 0.137\\*ACET + 0.137\\*CO + 0.137\\*HO2 + 0.658\\*RO2 | 5.58E-12e 511.00/T | 3.0972E-11 |\n| R159 | ISPD + O3 ----> 0.040\\*ALD2 + 0.231\\*FORM + 0.531\\*MGLY + 0.170\\*GLY + 0.170\\*ACET + 0.543\\*CO + 0.461\\*OH + 0.150\\*FACD + 0.398\\*HO2 + 0.143\\*C2O3 | 3.88E-15e -1770.00/T | 1.0247E-17 |\n| R160 | ISPD + NO3 ----> 0.717\\*HNO3 + 0.142\\*NTR2 + 0.142\\*NO2 + 0.142\\*XO2 + 0.142\\*XO2H + 0.113\\*GLYD + 0.113\\*MGLY + 0.717\\*PAR + 0.717\\*CXO3 + 0.284\\*RO2 | 4.10E-12e -1860.00/T | 8.0066E-15 |\n| R161 | ISPD ----> 0.760\\*HO2 + 0.340\\*XO2H + 0.160\\*XO2 + 0.340\\*MEO2 + 0.208\\*C2O3 + 0.260\\*FORM + 0.240\\*OLE + 0.240\\*PAR + 0.170\\*ACET + 0.128\\*GLYD + 0.840\\*RO2 | ISPD | Not Available1 | \n| R162 | ISPX + OH ----> 0.904\\*EPOX + 0.933\\*OH + 0.067\\*ISO2 + 0.067\\*RO2 + 0.029\\*IOLE + 0.029\\*ALDX | 2.23E-11e 372.00/T | 7.7655E-11 |\n| R163 | HPLD ----> OH + ISPD | HPALD | Not Available1 | \n| R164 | HPLD + NO3 ----> HNO3 + ISPD | 6.00E-12e -1860.00/T | 1.1717E-14 |\n| R165 | EPOX + OH ----> EPX2 + RO2 | 5.78E-11e -400.00/T | 1.5110E-11 |\n| R166 | EPX2 + HO2 ----> 0.275\\*GLYD + 0.275\\*GLY + 0.275\\*MGLY + 1.125\\*OH + 0.825\\*HO2 + 0.375\\*FORM + 0.074\\*FACD + 0.251\\*CO + 2.175\\*PAR | 7.43E-13e 700.00/T | 7.7737E-12 |\n| R167 | EPX2 + NO ----> 0.275\\*GLYD + 0.275\\*GLY + 0.275\\*MGLY + 0.125\\*OH + 0.825\\*HO2 + 0.375\\*FORM + NO2 + 0.251\\*CO + 2.175\\*PAR | 2.39E-12e 365.00/T | 8.1296E-12 |\n| R168 | EPX2 + C2O3 ----> 0.220\\*GLYD + 0.220\\*GLY + 0.220\\*MGLY + 0.100\\*OH + 0.660\\*HO2 + 0.300\\*FORM + 0.200\\*CO + 1.740\\*PAR + 0.800\\*MEO2 + 0.200\\*AACD + 0.800\\*RO2 | R58 | 1.5924E-117| \n| R169 | EPX2 + RO2 ----> 0.275\\*GLYD + 0.275\\*GLY + 0.275\\*MGLY + 0.125\\*OH + 0.825\\*HO2 + 0.375\\*FORM + 0.251\\*CO + 2.175\\*PAR + RO2 | R70 | 3.4772E-137| \n| R170 | INTR + OH ----> 0.630\\*XO2 + 0.370\\*XO2H + RO2 + 0.444\\*NO2 + 0.185\\*NO3 + 0.104\\*INTR + 0.592\\*FORM + 0.331\\*GLYD + 0.185\\*FACD + 2.700\\*PAR + 0.098\\*OLE + 0.078\\*ALDX + 0.266\\*NTR2 | 3.1000E-11 | 3.1000E-11 |\n| R171 | TERP + O ----> 0.150\\*ALDX + 5.120\\*PAR + TRPRXN | 3.6000E-11 | 3.6000E-11 |\n| R172 | TERP + OH ----> 0.750\\*XO2H + 0.500\\*XO2 + 0.250\\*XO2N + 1.500\\*RO2 + 0.280\\*FORM + 1.660\\*PAR + 0.470\\*ALDX + TRPRXN | 1.50E-11e 449.00/T | 6.7627E-11 |\n| R173 | TERP + O3 ----> 0.570\\*OH + 0.070\\*XO2H + 0.690\\*XO2 + 0.180\\*XO2N + 0.940\\*RO2 + 0.240\\*FORM + 0.001\\*CO + 7.000\\*PAR + 0.210\\*ALDX + 0.390\\*CXO3 + TRPRXN | 1.20E-15e -821.00/T | 7.6434E-17 |\n| R174 | TERP + NO3 ----> 0.470\\*NO2 + 0.280\\*XO2H + 0.750\\*XO2 + 0.250\\*XO2N + 1.280\\*RO2 + 0.470\\*ALDX + 0.530\\*NTR2 + TERPNRO2 | 3.70E-12e 175.00/T | 6.6544E-12 |\n| R171a | APIN + O ----> 0.150\\*ALDX + 5.120\\*PAR + TRPRXN | 3.6000E-11 | 3.6000E-11 |\n| R172a | APIN + OH ----> 0.750\\*XO2H + 0.500\\*XO2 + 0.250\\*XO2N + 1.500\\*RO2 + 0.280\\*FORM + 1.660\\*PAR + 0.470\\*ALDX + TRPRXN | 1.50E-11e 449.00/T | 6.7627E-11 |\n| R173a | APIN + O3 ----> 0.570\\*OH + 0.070\\*XO2H + 0.690\\*XO2 + 0.180\\*XO2N + 0.940\\*RO2 + 0.240\\*FORM + 0.001\\*CO + 7.000\\*PAR + 0.210\\*ALDX + 0.390\\*CXO3 + TRPRXN | 1.20E-15e -821.00/T | 7.6434E-17 |\n| R174a | APIN + NO3 ----> 0.470\\*NO2 + 0.280\\*XO2H + 0.750\\*XO2 + 0.250\\*XO2N + 1.280\\*RO2 + 0.470\\*ALDX + 0.530\\*NTR2 | 3.70E-12e 175.00/T | 6.6544E-12 |\n| R175 | BENZENE + OH ----> 0.530\\*CRES + 0.352\\*BZO2 + 0.352\\*RO2 + 0.118\\*OPEN + 0.118\\*OH + 0.530\\*HO2 + BENZRO2 | 2.30E-12e -190.00/T | 1.2161E-12 |\n| R176 | BZO2 + NO ----> 0.918\\*NO2 + 0.082\\*NTR2 + 0.918\\*GLY + 0.918\\*OPEN + 0.918\\*HO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| R177 | BZO2 + C2O3 ----> GLY + OPEN + HO2 + MEO2 + RO2 | R58 | 1.5924E-117| \n| R178 | BZO2 + HO2 ----> | 1.90E-13e 1300.00/T | 1.4872E-11 |\n| R179 | BZO2 + RO2 ----> GLY + OPEN + HO2 + RO2 | R70 | 3.4772E-137| \n| R180 | TOL + OH ----> 0.180\\*CRES + 0.650\\*TO2 + 0.720\\*RO2 + 0.100\\*OPEN + 0.100\\*OH + 0.070\\*XO2H + 0.180\\*HO2 + TOLRO2 | 1.80E-12e 340.00/T | 5.6302E-12 |\n| R181 | TO2 + NO ----> 0.860\\*NO2 + 0.140\\*NTR2 + 0.417\\*GLY + 0.443\\*MGLY + 0.660\\*OPEN + 0.200\\*XOPN + 0.860\\*HO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| R182 | TO2 + C2O3 ----> 0.480\\*GLY + 0.520\\*MGLY + 0.770\\*OPEN + 0.230\\*XOPN + HO2 + MEO2 + RO2 | R58 | 1.5924E-117| \n| R183 | TO2 + HO2 ----> | 1.90E-13e 1300.00/T | 1.4872E-11 |\n| R184 | TO2 + RO2 ----> 0.480\\*GLY + 0.520\\*MGLY + 0.770\\*OPEN + 0.230\\*XOPN + HO2 + RO2 | R70 | 3.4772E-137| \n| R185 | XYLMN + OH ----> 0.155\\*CRES + 0.544\\*XLO2 + 0.602\\*RO2 + 0.244\\*XOPN + 0.244\\*OH + 0.058\\*XO2H + 0.155\\*HO2 + XYLRO2 | 1.8500E-11 | 1.8500E-11 |\n| R185a | NAPH + OH ----> 0.155\\*CRES + 0.544\\*XLO2 + 0.602\\*RO2 + 0.244\\*XOPN + 0.244\\*OH + 0.058\\*XO2H + 0.155\\*HO2 + PAHRO2 | 1.8500E-11 | 1.8500E-11 |\n| R186 | XLO2 + NO ----> 0.860\\*NO2 + 0.140\\*NTR2 + 0.221\\*GLY + 0.675\\*MGLY + 0.300\\*OPEN + 0.560\\*XOPN + 0.860\\*HO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| R187 | XLO2 + HO2 ----> | 1.90E-13e 1300.00/T | 1.4872E-11 |\n| R188 | XLO2 + C2O3 ----> 0.260\\*GLY + 0.770\\*MGLY + 0.350\\*OPEN + 0.650\\*XOPN + HO2 + MEO2 + RO2 | R58 | 1.5924E-117| \n| R189 | XLO2 + RO2 ----> 0.260\\*GLY + 0.770\\*MGLY + 0.350\\*OPEN + 0.650\\*XOPN + HO2 + RO2 | R70 | 3.4772E-137| \n| R190 | CRES + OH ----> 0.025\\*GLY + 0.025\\*OPEN + HO2 + 0.200\\*CRO + 0.732\\*CAT1 + 0.020\\*XO2N + 0.020\\*RO2 | 1.70E-12e 950.00/T | 4.1138E-11 |\n| R191 | CRES + NO3 ----> 0.300\\*CRO + HNO3 + 0.480\\*XO2 + 0.120\\*XO2H + 0.240\\*GLY + 0.240\\*MGLY + 0.480\\*OPO3 + 0.100\\*XO2N + 0.700\\*RO2 | 1.4000E-11 | 1.4000E-11 |\n| R192 | CRO + NO2 ----> CRON | 2.1000E-12 | 2.1000E-12 |\n| R193 | CRO + HO2 ----> CRES | 5.5000E-12 | 5.5000E-12 |\n| R194 | CRON + OH ----> NTR2 + 0.500\\*CRO | 1.5300E-12 | 1.5300E-12 |\n| R195 | CRON + NO3 ----> NTR2 + 0.500\\*CRO + HNO3 | 3.8000E-12 | 3.8000E-12 |\n| R196 | CRON ----> HONO + HO2 + FORM + OPEN | NTR_IUPAC10 | Not Available1 | \n| R197 | XOPN ----> 0.400\\*GLY + XO2H + 0.700\\*HO2 + 0.700\\*CO + 0.300\\*C2O3 | 5.0000E-02\\*NO2_IUPAC10 | Not Available1 | \n| R198 | XOPN + OH ----> MGLY + 0.400\\*GLY + 2.000\\*XO2H + 2.000\\*RO2 | 9.0000E-11 | 9.0000E-11 |\n| R199 | XOPN + O3 ----> 1.200\\*MGLY + 0.500\\*OH + 0.600\\*C2O3 + 0.100\\*ALD2 + 0.500\\*CO + 0.300\\*XO2H + 0.300\\*RO2 | 1.08E-16e -500.00/T | 2.0189E-17 |\n| R200 | XOPN + NO3 ----> 0.500\\*NO2 + 0.500\\*NTR2 + 0.450\\*XO2H + 0.450\\*XO2 + 0.100\\*XO2N + RO2 + 0.250\\*OPEN + 0.250\\*MGLY | 3.0000E-12 | 3.0000E-12 |\n| R201 | OPEN ----> OPO3 + HO2 + CO | 2.8000E-02\\*NO2_IUPAC10 | Not Available1 | \n| R202 | OPEN + OH ----> 0.600\\*OPO3 + 0.400\\*XO2H + 0.400\\*RO2 + 0.400\\*GLY | 4.4000E-11 | 4.4000E-11 |\n| R203 | OPEN + O3 ----> 1.400\\*GLY + 0.240\\*MGLY + 0.500\\*OH + 0.120\\*C2O3 + 0.080\\*FORM + 0.020\\*ALD2 + 1.980\\*CO + 0.560\\*HO2 | 5.40E-17e -500.00/T | 1.0094E-17 |\n| R204 | OPEN + NO3 ----> OPO3 + HNO3 | 3.8000E-12 | 3.8000E-12 |\n| R205 | CAT1 + OH ----> 0.140\\*FORM + 0.200\\*HO2 + 0.500\\*CRO | 5.0000E-11 | 5.0000E-11 |\n| R206 | CAT1 + NO3 ----> CRO + HNO3 | 1.7000E-10 | 1.7000E-10 |\n| R207 | OPO3 + NO ----> NO2 + 0.500\\*GLY + 0.500\\*CO + 0.800\\*HO2 + 0.200\\*CXO3 | R61 | 2.0957E-117| \n| R208 | OPO3 + NO2 ----> OPAN | R62 | 8.2883E-127| \n| R209 | OPAN ----> OPO3 + NO2 | R63 | 3.7022E-047| \n| R210 | OPO3 + HO2 ----> 0.370\\*PACD + 0.130\\*AACD + 0.130\\*O3 + 0.500\\*OH + 0.500\\*MEO2 + 0.500\\*RO2 | R57 | 2.1967E-117| \n| R211 | OPO3 + C2O3 ----> MEO2 + XO2 + ALDX + 2.000\\*RO2 | R59 | 1.5514E-117| \n| R212 | OPO3 + RO2 ----> 0.800\\*XO2H + 0.800\\*ALDX + 1.800\\*RO2 + 0.200\\*AACD | R58 | 1.5924E-117| \n| R213 | OPAN + OH ----> 0.500\\*NO2 + 0.500\\*GLY + CO + 0.500\\*NTR2 | 3.6000E-11 | 3.6000E-11 |\n| R214 | PANX + OH ----> ALD2 + NO2 | 3.0000E-12 | 3.0000E-12 |\n| R216 | ECH4 + OH ----> MEO2 + RO2 | 1.85E-12e -1690.00/T | 6.3895E-15 |\n| R217 | XPRP ----> XO2N + RO2 | ko= 2.37E-21e 0.0/T(T/300) 0.00
ki = 4.07E-01e 0.0/T(T/300) -8.00
n= 1.00;F= 0.41 | 3.0828E-02 |\n| R218 | XPRP ----> 0.732\\*ACET + 0.268\\*ALDX + 0.268\\*PAR + XO2H + RO2 | 1.0000E+00 | 1.0000E+00 |\n| R219 | XPAR ----> XO2N + RO2 | ko= 4.81E-20e 0.0/T(T/300) 0.00
ki = 4.07E-01e 0.0/T(T/300) -8.00
n= 1.00;F= 0.41 | 1.4904E-01 |\n| R220 | XPAR ----> 0.126\\*ALDX + 0.874\\*ROR + 0.126\\*XO2H + 0.874\\*XO2 + RO2 - 0.126\\*PAR | 1.0000E+00 | 1.0000E+00 |\n| R221 | NO2 + OH + H2O ----> HNO3 | 1.1000E-30 | 1.1000E-30 |\n| CL1 | CL2 ----> 2.000\\*CL | CL2_IUPAC04 | Not Available1 | \n| CL2 | HOCL ----> OH + CL | HOCL_IUPAC04 | Not Available1 | \n| CL3 | CL + O3 ----> CLO | 2.30E-11e -200.00/T | 1.1760E-11 |\n| CL4 | CLO + CLO ----> 0.300\\*CL2 + 1.400\\*CL | 1.6300E-14 | 1.6300E-14 |\n| CL5 | CLO + NO ----> CL + NO2 | 6.40E-12e 290.00/T | 1.6928E-11 |\n| CL6 | CLO + HO2 ----> HOCL | 2.20E-12e 340.00/T | 6.8814E-12 |\n| CL7 | CLO + MEO2 ----> CL + FORM + HO2 | 3.20E-12e -110.00/T | 2.2127E-12 |\n| CL8 | OH + FMCL ----> CL + CO | 5.0000E-13 | 5.0000E-13 |\n| CL9 | FMCL ----> CL + CO + HO2 | FMCL_IUPAC04 | Not Available1 | \n| CL10 | CL + CH4 ----> HCL + MEO2 + RO2 | 6.60E-12e -1240.00/T | 1.0311E-13 |\n| CL11 | CL + PAR ----> HCL + XPAR | 5.0000E-11 | 5.0000E-11 |\n| CL12 | CL + PRPA ----> HCL + ACET + 0.970\\*XO2H + 0.030\\*XO2N + RO2 | 1.4000E-10 | 1.4000E-10 |\n| CL13 | CL + ETHA ----> HCL + 0.991\\*ALD2 + 0.991\\*XO2H + 0.009\\*XO2N + RO2 | 8.30E-11e -100.00/T | 5.9349E-11 |\n| CL14 | CL + ETH ----> FMCL + 2.000\\*XO2 + HO2 + FORM | 1.0700E-10 | 1.0700E-10 |\n| CL15 | CL + OLE ----> FMCL + 0.330\\*ALD2 + 0.670\\*ALDX + 2.000\\*XO2 + HO2 - PAR | 2.5000E-10 | 2.5000E-10 |\n| CL16 | CL + IOLE ----> 0.300\\*HCL + 0.700\\*FMCL + 0.450\\*ALD2 + 0.550\\*ALDX + 0.300\\*OLE + 0.300\\*PAR + 1.700\\*XO2 + HO2 | 3.5000E-10 | 3.5000E-10 |\n| CL17 | CL + ISOP ----> FMCL + ISPD + 0.960\\*XO2H + 0.040\\*XO2N + RO2 | 4.3000E-10 | 4.3000E-10 |\n| CL18 | CL + FORM ----> HCL + HO2 + CO | 8.20E-11e -34.00/T | 7.3162E-11 |\n| CL19 | CL + ALD2 ----> HCL + C2O3 | 7.9000E-11 | 7.9000E-11 |\n| CL20 | CL + ALDX ----> HCL + CXO3 | 1.3000E-10 | 1.3000E-10 |\n| CL21 | CL + MEOH ----> HCL + HO2 + FORM | 5.5000E-11 | 5.5000E-11 |\n| CL22 | CL + ETOH ----> HCL + HO2 + ALD2 | 8.20E-11e 45.00/T | 9.5359E-11 |\n| CL23 | HCL + OH ----> CL | 6.58E-13e 58.00/T(T/300) 1.16 | 7.9359E-13 |\n| CL24 | CL + TOL ----> HCL + 0.180\\*CRES + 0.650\\*TO2 + 0.720\\*RO2 + 0.100\\*OPEN + 0.100\\*OH + 0.070\\*XO2H + 0.180\\*HO2 + TOLRO2 | 6.1000E-11 | 6.1000E-11 |\n| CL25 | CL + XYLMN ----> HCL + 0.155\\*CRES + 0.544\\*XLO2 + 0.602\\*RO2 + 0.244\\*XOPN + 0.244\\*OH + 0.058\\*XO2H + 0.155\\*HO2 + XYLRO2 | 1.2000E-10 | 1.2000E-10 |\n| CL26 | CL + NAPH ----> HCL + 0.155\\*CRES + 0.544\\*XLO2 + 0.602\\*RO2 + 0.244\\*XOPN + 0.244\\*OH + 0.058\\*XO2H + 0.155\\*HO2 + PAHRO2 | 1.2000E-10 | 1.2000E-10 |\n| CL27 | CLNO2 ----> CL + NO2 | CLNO2_IUPAC13 | Not Available1 | \n| CL28 | CLO + NO2 ----> CLNO3 | ko= 1.80E-31e 0.0/T(T/300) -3.40
ki = 1.50E-11e 0.0/T(T/300) -1.90
n= 1.00;F= 0.60 | 2.3359E-12 |\n| CL30 | CLNO3 ----> CLO + NO2 | CLONO2_1 | Not Available1 | \n| CL31 | CLNO3 ----> CL + NO3 | CLONO2_2 | Not Available1 | \n| HET_CLNO3_WAI | CLNO3 ----> HOCL + HNO3 | HETERO_CLNO3_WAI | Not Available2 | \n| HET_CLNO3_WAJ | CLNO3 ----> HOCL + HNO3 | HETERO_CLNO3_WAJ | Not Available2 | \n| SA01 | TOLRO2 + NO ----> NO + 0.016\\*SVAVB2 + 0.051\\*SVAVB3 + 0.047\\*SVAVB4 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| SA02 | TOLRO2 + HO2 ----> HO2 + 0.140\\*SVAVB1 | 1.90E-13e 1300.00/T | 1.4872E-11 |\n| SA03 | XYLRO2 + NO ----> NO + 0.015\\*SVAVB2 + 0.023\\*SVAVB3 + 0.060\\*SVAVB4 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| SA04 | XYLRO2 + HO2 ----> HO2 + 0.193\\*SVAVB1 | 1.90E-13e 1300.00/T | 1.4872E-11 |\n| SA06 | BENZRO2 + NO ----> NO + 0.034\\*SVAVB2 + 0.392\\*SVAVB4 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| SA07 | BENZRO2 + HO2 ----> HO2 + 0.146\\*SVAVB1 | 1.90E-13e 1300.00/T | 1.4872E-11 |\n| SA08 | SESQ + O3 ----> O3 + SESQRXN | 1.1600E-14 | 1.1600E-14 |\n| SA09 | SESQ + OH ----> OH + SESQRXN | 1.9700E-10 | 1.9700E-10 |\n| SA10 | SESQ + NO3 ----> NO3 + SESQRXN | 1.9000E-11 | 1.9000E-11 |\n| SA11 | PAHRO2 + NO ----> NO + 0.028\\*SVAVB2 + 0.225\\*SVAVB3 + 0.191\\*SVAVB4 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| SA12 | PAHRO2 + HO2 ----> HO2 + 0.473\\*SVAVB1 | 1.90E-13e 1300.00/T | 1.4872E-11 |\n| SA13 | SOAALK + OH ----> OH + 0.006\\*SVAVB2 + 0.052\\*SVAVB3 + 0.081\\*SVAVB4 | 2.70E-12e 374.00/T | 9.4655E-12 |\n| HET_NTR2 | NTR2 ----> HNO3 | 1.4000E+00\\*HETERO_NTR2 | Not Available2 | \n| HET_N2O5IJ | N2O5 ----> HNO3 + H2NO3PIJ | HETERO_N2O5IJ | Not Available2 | \n| HET_N2O5K | N2O5 ----> HNO3 + H2NO3PK | HETERO_N2O5K | Not Available2 | \n| HET_H2NO3PIJA | H2NO3PIJ ----> HNO3 | HETERO_H2NO3PAIJ | Not Available2 | \n| HET_H2NO3PKA | H2NO3PK ----> HNO3 | HETERO_H2NO3PAK | Not Available2 | \n| HET_H2NO3PIB | H2NO3PIJ + ACLI ----> CLNO2 | HETERO_H2NO3PBIJ | Not Available2 | \n| HET_H2NO3PJB | H2NO3PIJ + ACLJ ----> CLNO2 | HETERO_H2NO3PBIJ | Not Available2 | \n| HET_H2NO3PKB | H2NO3PK + ACLK ----> CLNO2 | HETERO_H2NO3PBK | Not Available2 | \n| HET_N02 | NO2 ----> 0.500\\*HONO + 0.500\\*HNO3 | HETERO_NO2 | Not Available2 | \n| HAL_Ozone | O3 ----> | SEAWATER*min( 6.701E-11e 1.074E+01P+ 3.415E-08e-6.713E-01P,
2.000E-06) | 2.0000E-064| \n| HET_IEPOX | EPOX ----> IEPOXP | HETERO_IEPOX | Not Available2 | \n| HET_IEPOXOS | IEPOXP + ASO4J ----> AISO3J | HETERO_IEPOXOS | Not Available2 | \n| HET_TETROL | IEPOXP ----> AISO3J | HETERO_TETROL | Not Available2 | \n| HET_GLY | GLY ----> AGLYJ | HETERO_GLY | Not Available2 | \n| HET_MGLY | MGLY ----> AGLYJ | HETERO_MGLY | Not Available2 | \n| BL18a | TERPNRO2 + NO ----> NO + 0.688\\*MTNO3 | 2.60E-12e 380.00/T | 9.3002E-12 |\n| BL18b | TERPNRO2 + HO2 ----> HO2 + MTNO3 | 2.65E-13e 1300.00/T | 2.0743E-11 |\n| BL18c | TERPNRO2 + NO3 ----> NO3 + 0.422\\*MTNO3 | 2.3000E-12 | 2.3000E-12 |\n| BL18d | TERPNRO2 + RO2 ----> RO2 + 0.711\\*MTNO3 | 3.5000E-14 | 3.5000E-14 |\n| CP07mtp | MTNO3 + CL ----> CL + 0.370\\*MTNO3 | 1.9200E-10 | 1.9200E-10 |\n| BP70mtp | MTNO3 + OH ----> OH + 0.240\\*MTNO3 | 7.2000E-12 | 7.2000E-12 |\n| BP71mtp | MTNO3 ----> | IC3ONO2 | Not Available1 | \n| HYD_MT | AMTNO3J ----> AMTHYDJ | 9.2590E-05 | 9.2590E-05 |\n| OLIG_AROMATIC1 | AAVB2J ----> 0.907\\*AOLGAJ | 9.4882E-06 | 9.4882E-06 |\n| OLIG_AROMATIC2 | AAVB3J ----> 0.925\\*AOLGAJ | 9.4882E-06 | 9.4882E-06 |\n| OLIG_AROMATIC3 | AAVB4J ----> 0.943\\*AOLGAJ | 9.4882E-06 | 9.4882E-06 |\n| OLIG_ISOPRENE1 | AISO1J ----> 0.500\\*AOLGBJ | 9.4882E-06 | 9.4882E-06 |\n| OLIG_ISOPRENE2 | AISO2J ----> 0.500\\*AOLGBJ | 9.4882E-06 | 9.4882E-06 |\n| OLIG_SESQT1 | ASQTJ ----> 1.500\\*AOLGBJ | 9.4882E-06 | 9.4882E-06 |\n| RPOAGEPI | APOCI + OH ----> 1.250\\*APNCOMI + APOCI + OH | 2.5000E-12 | 2.5000E-12 |\n| RPOAGELI | APNCOMI + OH ----> OH | HETERO_PNCOMLI | Not Available2 | \n| RPOAGEPJ | APOCJ + OH ----> 1.250\\*APNCOMJ + APOCJ + OH | 2.5000E-12 | 2.5000E-12 |\n| RPOAGELJ | APNCOMJ + OH ----> OH | HETERO_PNCOMLJ | Not Available2 | \n| PCSOA | PCVOC + OH ----> OH + PCSOARXN | 1.2500E-11 | 1.2500E-11 |\n| POA_AGE1 | VLVPO1 + OH ----> OH + 0.486\\*VLVPO1 + 0.006\\*VSVPO1 + 0.003\\*VSVPO2 + 0.003\\*VSVPO3 + 0.002\\*VIVPO1 + 0.294\\*VLVOO1 + 0.202\\*VLVOO2 + 0.002\\*VSVOO2 + 0.002\\*VSVOO3 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE2 | VSVPO1 + OH ----> OH + 0.300\\*VLVPO1 + 0.286\\*VSVPO1 + 0.004\\*VSVPO2 + 0.004\\*VSVPO3 + 0.224\\*VLVOO1 + 0.182\\*VLVOO2 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE3 | VSVPO2 + OH ----> OH + 0.386\\*VLVPO1 + 0.095\\*VSVPO1 + 0.137\\*VSVPO2 + 0.001\\*VSVPO3 + 0.205\\*VLVOO1 + 0.176\\*VLVOO2 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE4 | VSVPO3 + OH ----> OH + 0.218\\*VLVPO1 + 0.306\\*VSVPO1 + 0.015\\*VSVPO2 + 0.104\\*VSVPO3 + 0.189\\*VLVOO1 + 0.167\\*VLVOO2 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE5 | VIVPO1 + OH ----> OH + 0.241\\*VLVPO1 + 0.209\\*VSVPO1 + 0.300\\*VSVPO2 + 0.203\\*VLVOO1 + 0.047\\*VLVOO2 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE6 | VLVOO1 + OH ----> OH + 0.666\\*VLVOO1 + 0.014\\*VLVOO2 + 0.012\\*VSVOO1 + 0.124\\*VSVOO2 + 0.183\\*VSVOO3 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE7 | VLVOO2 + OH ----> OH + 0.286\\*VLVOO1 + 0.393\\*VLVOO2 + 0.014\\*VSVOO1 + 0.103\\*VSVOO2 + 0.204\\*VSVOO3 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE8 | VSVOO1 + OH ----> OH + 0.330\\*VLVOO1 + 0.227\\*VLVOO2 + 0.261\\*VSVOO1 + 0.070\\*VSVOO2 + 0.112\\*VSVOO3 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE9 | VSVOO2 + OH ----> OH + 0.344\\*VLVOO1 + 0.275\\*VLVOO2 + 0.049\\*VSVOO1 + 0.258\\*VSVOO2 + 0.074\\*VSVOO3 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE10 | VSVOO3 + OH ----> OH + 0.389\\*VLVOO1 + 0.242\\*VLVOO2 + 0.064\\*VSVOO1 + 0.038\\*VSVOO2 + 0.267\\*VSVOO3 | 4.0000E-11 | 4.0000E-11 |\n| T01 | FORM_PRIMARY + OH ----> OH | 5.40E-12e 135.00/T | 8.4926E-12 |\n| T02 | FORM_PRIMARY + NO3 ----> NO3 | 5.5000E-16 | 5.5000E-16 |\n| T03 | FORM_PRIMARY + O ----> O | 3.40E-11e -1600.00/T | 1.5881E-13 |\n| T04 | FORM_PRIMARY ----> | FORM_R_IUPAC13 | Not Available1 | \n| T05 | FORM_PRIMARY ----> | FORM_M_IUPAC13 | Not Available1 | \n| TCL1 | FORM_PRIMARY + CL ----> CL | 8.20E-11e -34.00/T | 7.3162E-11 |\n| T06 | ALD2_PRIMARY + OH ----> OH | 4.70E-12e 345.00/T | 1.4950E-11 |\n| T07 | ALD2_PRIMARY + NO3 ----> NO3 | 1.40E-12e -1860.00/T | 2.7340E-15 |\n| T08 | ALD2_PRIMARY + O ----> O | 1.80E-11e -1100.00/T | 4.4976E-13 |\n| T09 | ALD2_PRIMARY ----> | ALD2_R_IUPAC13 | Not Available1 | \n| TCL2 | ALD2_PRIMARY + CL ----> CL | 7.9000E-11 | 7.9000E-11 |\n| T10 | BUTADIENE13 + OH ----> OH + 0.580\\*ACROLEIN | 1.48E-11e 448.00/T | 6.6502E-11 |\n| T11 | BUTADIENE13 + O3 ----> O3 + 0.520\\*ACROLEIN | 1.34E-14e -2283.00/T | 6.3331E-18 |\n| T12 | BUTADIENE13 + NO3 ----> NO3 + 0.045\\*ACROLEIN | 1.7900E-13 | 1.7900E-13 |\n| TCL3 | BUTADIENE13 + CL ----> CL + 0.580\\*ACROLEIN | 2.5100E-10 | 2.5100E-10 |\n| T13 | ACRO_PRIMARY + OH ----> OH | 2.0000E-11 | 2.0000E-11 |\n| T14 | ACRO_PRIMARY + O3 ----> O3 | 2.6100E-19 | 2.6100E-19 |\n| T15 | ACRO_PRIMARY + NO3 ----> NO3 | 1.1500E-15 | 1.1500E-15 |\n| T16 | ACRO_PRIMARY ----> | ACRO_09 | Not Available1 | \n| TCL4 | ACRO_PRIMARY + CL ----> CL | 2.3700E-10 | 2.3700E-10 |\n| T17 | ACROLEIN + OH ----> OH | 2.0000E-11 | 2.0000E-11 |\n| T18 | ACROLEIN + O3 ----> O3 | 2.6100E-19 | 2.6100E-19 |\n| T19 | ACROLEIN + NO3 ----> NO3 | 1.1500E-15 | 1.1500E-15 |\n| T20 | ACROLEIN ----> | ACRO_09 | Not Available1 | \n| TCL5 | ACROLEIN + CL ----> CL | 2.3700E-10 | 2.3700E-10 |\n| T21 | TOLU + OH ----> OH | 1.80E-12e 340.00/T | 5.6302E-12 |\n| TCL6 | TOLU + CL ----> CL | 6.1000E-11 | 6.1000E-11 |\n| HG1 | HG + O3 ----> 0.500\\*HGIIAER + 0.500\\*HGIIGAS + O3 | 2.11E-18e -1256.50/T | 3.1191E-20 |\n| HG2 | HG + CL2 ----> HGIIGAS + CL2 | 2.6000E-18 | 2.6000E-18 |\n| HG3 | HG + H2O2 ----> HGIIGAS + H2O2 | 8.5000E-19 | 8.5000E-19 |\n| HG4 | HG + OH ----> 0.500\\*HGIIAER + 0.500\\*HGIIGAS + OH | 7.7000E-14 | 7.7000E-14 |\n| HG5 | HG + CL + M ----> 0.500\\*HG + 0.500\\*HGIIGAS + CL | 2.25E-33e 680.00/T | 2.2014E-32 |\n\n0Units molecules/(sec*cm3); Value at 298.15 K; 2.4615E+19 molcules/cm3; 1.00 Atm. \n1Photolysis Reaction;depends on radiation and predicted concentrations \n2Heteorogeneous Reaction;Depends predicted concentrations \n4Set to zero if sun is below the horizon. SEAWATER equals surface fraction covered by ice free open ocean plus surf zones. P equals air pressure in atmospheres. \n7Rate constant multiple of constant for listed reaction \n" }, { "path": "CCTM/src/MECHS/mechanism_information/cb6r5m_ae7_aq/AE7_species_table.md", "content": "**The AE namelist for cb6r5m_ae7_aq has the following aerosol species.**\n\n| **Model Species** | **Name** | **Molecular Weight** | **Explicit or Lumped** |\n| ----------------- | ---------------------------------------------------- | -------------------- | ---------------------- |\n| AAL | Aluminum | 27 | E |\n| AAVB1 | low volatility organic particulate matter from oxidation of anthropogenic VOCs | 198.0 | L |\n| AAVB2 | semivolailte organic particulate matter from oxidation of anthropogenic VOCs | 179.0 | L |\n| AAVB3 | semivolailte organic particulate matter from oxidation of anthropogenic VOCs | 169.0 | L |\n| AAVB4 | semivolailte organic particulate matter from oxidation of anthropogenic VOCs | 158.0 | L |\n| ABR | Bromide | 79.9 | E |\n| ACA | Calcium | 40.1 | E |\n| ACL | Chloride | 35.5 | E |\n| ACORS | Anthropogenic Coarse-mode particle mass | 100.0 | L |\n| AEC | Elemental Carbon | 12 | E |\n| AFE | Iron | 55.8 | E |\n| AGLY | Glyoxal and Methylglyoxal SOA | 66.4 | L |\n| AH2O | Water | 18 | E |\n| AH3OP | Hydronium Ion | 19 | E |\n| AISO1 | Semivolatile SOA Product from Isoprene | 132.0 | L |\n| AISO2 | High-Volatility SOA Product from Isoprene | 133.0 | L |\n| AISO3 | Acid-Catalyzed Isoprene SOA compounds | 168.2 | L |\n| AIVPO1 | Intermediate Volatility Primary Organic Compounds | 266 | L |\n| AK | Potassium | 39.1 | E |\n| ALVOO1 | Low Volatility Oxidized Combustion Organic Compounds | 136 | L |\n| ALVOO2 | Low Volatility Oxidized Combustion Organic Compounds | 136 | L |\n| ALVPO1 | Low Volatility Primary Organic Compounds | 218 | L |\n| AMG | Magnesium | 24.3 | E |\n| AMN | Manganese | 54.9 | E |\n| AMT1 | low volatility particulate matter from monoterpene photoxidation, C*=0.01 ug/m3 | 200.0 | L |\n| AMT2 | low volatility particulate matter from monoterpene photoxidation, C*=0.1 ug/m3 | 300.0 | L |\n| AMT3 | semivolailte particulate matter from monoterpene photoxidation, C*=1 ug/m3 | 186.0 | L |\n| AMT4 | semivolatile particulate matter from monoterpene photoxidation, C*=10 ug/m3 | 184.0 | L |\n| AMT5 | semivolatile particulate matter from monoterpene photoxidation, C*=100 ug/m3 | 170.0 | L |\n| AMT6 | semivolatile particulate matter from monoterpene photoxidation, C*=1000 ug/m3 | 168.0 | L |\n| AMTNO3J | semivolatile organic nitrates from monoterpene oxidation (Should not to be included for tracking nitrogen)| 231.0 | L |\n| AMTHYDJ | organic pseudo-hydrolysis accretion product from monoterpene organic nitrates (AMTNO3J) | 168.0| L |\n| ANA | Sodium | 23 | E |\n| ANH4 | Ammonium | 18 | E |\n| ANO3 | Nitrate | 62 | E |\n| AOLGA | Oligomer products of anthropogenic SOA compounds | 206.0 | L |\n| AOLGB | Oligomer products of biogenic SOA compounds | 248.0 | L |\n| AORGC | Glyoxal and Methylglyoxal SOA | 177.0 | L |\n| AORGH2O | Water associated with organic species of particulate matter | 18.0 | E |\n| AOTHR | Other Particulate Mass | 200 | L |\n| APCSO | Potential Combustion SOA | 170 | L |\n| APNCOM | Non-Carbon Organic Matter associated with APOC | 220.0 | L |\n| APOC | Primary Organic Carbon | 220.0 | L |\n| ASEACAT | Sea spray cations | 23.75 | L |\n| ASI | Silicon | 28.1 | E |\n| ASO4 | Sulfate | 96 | E |\n| ASOIL | Lumped crustal species | 100.0 | L |\n| ASQT | Semivolatile SOA Product from Sesquiterpenes | 273.0 | L |\n| ASVOO1 | Semivolatile Oxidized Combustion Organic Compounds | 135 | L |\n| ASVOO2 | Semivolatile Oxidized Combustion Organic Compounds | 135 | L |\n| ASVOO3 | Semivolatile Oxidized Combustion Organic Compounds | 134 | L |\n| ASVPO1 | Semivolatile Primary Organic Compounds | 230 | L |\n| ASVPO2 | Semivolatile Primary Organic Compounds | 241 | L |\n| ASVPO3 | Semivolatile Primary Organic Compounds | 253 | L |\n| ATI | Titanium | 47.9 | E |\n| NUMACC | Accum. Mode Number Conc | NA | NA |\n| NUMAIT | Aitken Mode Number Conc | NA | NA |\n| NUMCOR | Coarse Mode Number Conc | NA | NA |\n| SRFACC | Accum. Mode Surface Area Conc | NA | NA |\n| SRFAIT | Aitken Mode Surface Area Conc | NA | NA |\n| SRFCOR | Coarse Mode Surface Area Conc | NA | NA |\n\nNote that for each aerosol mass species, a letter will be appended to the names below in order to designate the size, or mode, of the aerosol being represented: I = Aitken mode, J = Accumulation mode, K = Coarse mode. \n" }, { "path": "CCTM/src/MECHS/mechanism_information/cb6r5m_ae7_aq/NR7_species_table.md", "content": "**The NR namelist for cb6r5m_ae7_aq has the following gas phase species.**\n\n| **Model Species** | **Name** | **Molecular Weight** | **Explicit or Lumped** |\n| ----------------- | ---------------------------------------------------- | -------------------- | ---------------------- |\n| LVPCSOG | surrogate SOA precursor gas for combustion/anthropogenic sources | 170.0 | L | \n| NH3 | ammonia | 17.0 | E | \n| SVMT1 | low volatility gas from monoterpene photoxidation | 300.0 | L |\n| SVMT2 | low volatility gas from monoterpene photoxidation | 200.0 | L |\n| SVMT3 | semivolatile gas from monoterpene photoxidation | 186.0 | L |\n| SVMT4 | semivolatile gas from monoterpene photoxidation | 184.0 | L |\n| SVMT5 | semivolatile gas from monoterpene photoxidation | 170.0 | L |\n| SVMT6 | semivolatile gas from monoterpene photoxidation | 168.0 | L |\n| SVISO1 | semivolatile gas of secondary aerosol material from isoprene | 132.0 | L | \n| SVISO2 | semivolatile gas of secondary aerosol material from isoprene | 133.0 | L | \n| SVSQT | semivolatile gas of secondary aerosol material from sesquiterpenes | 273.0 | L | \n" }, { "path": "CCTM/src/MECHS/mechanism_information/cb6r5m_ae7_aq/cb6r5m_ae7_aq_species_table.md", "content": "**The GC namelist for cb6r5m_ae7_aq has the following gas phase species.**\n\n| **Model Species** | **Definition** | **Molecular Weight** | **Explicit or Lumped** |\n| ----------------- | ---------------------------------------------------------------------------- | -------------------- | ---------------------- |\n| AACD | acetic acid | 60 | E |\n| ACET | acetone | 58.1 | E |\n| ACRO_PRIMARY | acrolein from emissions only | 56.1 | E |\n| ACROLEIN | acrolein | 56.1 | E |\n| ALD2 | acetaldehyde | 44 | E |\n| ALD2_PRIMARY | acetaldehyde from emissions only | 44 | E |\n| ALDX | aldehydes with 3 or more carbons | 58.1 | L |\n| APIN | alpha pinene | 136.2 | E |\n| BENZENE | benzene | 78.1 | E |\n| BENZRO2 | counter species for aerosol from benzene+OH | 127 | L |\n| BUTADIENE13 | 1,3-butadiene | 54 | E |\n| BZO2 | peroxy radical from benzene reactions with OH | 159.1 | L |\n|BR | monoatomic bromine | 79.9 | E | \n|BR2 | molecular bromide | 159.8 | E |\n|BRCL | bromine chloride | 115.4 | E |\n|BRNO3 | bromide nitrate | 141.9 | E |\n|BRNO2 | bromide nitrite | 125.9 | E |\n|BRO | bromine oxide | 95.9 | E |\n| C2O3 | acetylperoxy radical | 75 | E |\n| CAT1 | methyl catechols | 124.1 | L |\n|CH3I | methyl iodide | 141.9 | E |\n| CL | atomic chlorine | 35.5 | E |\n| CL2 | molecular chlorine | 71 | E |\n| CLNO2 | nitryl chloride | 81.5 | E |\n| CLNO3 | chlorine nitrate | 97.5 | E |\n| CLO | chlorine monoxide | 51.5 | E |\n| CO | carbon monoxide | 28 | E |\n| CRES | cresol and higher molecular weight phenols | 108.1 | L |\n| CRO | alkoxy radical from cresol | 107.1 | L |\n| CRON | nitro-cresols | 153.1 | L |\n| CXO3 | acetylperoxy radicals with 3 or more carbons | 89 | L |\n|DMS | dimethylsulfide | 62.0 | E |\n| ECH4 | methane | 16 | E |\n| EPOX | isoprene epoxydiol | 118.1 | L |\n| EPX2 | peroxy radical from EPOX+OH reaction | 149.1 | L |\n| ETH | ethene | 28 | E |\n| ETHA | ethane | 30.1 | E |\n| ETHY | ethyne (acetylene) | 26 | E |\n| ETOH | ethanol | 46.1 | E |\n| FACD | formic acid | 46 | E |\n|FMBR | formylbormide | 108.9 | E |\n| FMCL | formylchloride | 64.5 | E |\n| FORM | formaldehyde | 30 | E |\n| FORM_PRIMARY | formaldehyde from emissions only | 30 | E |\n| GLY | glyoxal | 58 | E |\n| GLYD | glycoaldehyde (hydroxyacetaldehyde) | 60 | E |\n| H2NO3PIJ | tracer producing HNO3 or ClNO2 from N2O5 in fine mode aerosols | 64 | E |\n| H2NO3PK | tracer producing HNO3 or ClNO2 from N2O5 in coarse mode aerosols | 64 | E |\n| H2O2 | hydrogen peroxide | 34 | E |\n|HBR | hyrodrogen bromide | 80.9 | E |\n| HCL | hydrochloric acid | 36.5 | E |\n| HCO3 | radical from HO2 reactions with formaldehyde | 63 | E |\n| HG | elemental mercury | 200.6 | E |\n| HGIIAER | precursor of aerosol divalent mercury | 200.6 | E |\n| HGIIGAS | divalent mercury | 271.5 | E |\n|HI | hydrogen iodide | 127.9 | E |\n| HNO3 | nitric acid | 63 | E |\n| HO2 | hydroperoxy radical | 33 | E |\n|HOBR | hypobromic acid | 96.9 | E |\n|HOI | hypoiodous acid | 143.9 | E |\n| HOCL | hypochlorous acid | 52.5 | E |\n| HONO | nitrous acid | 47 | E |\n| HPLD | hydroperoxyaldehyde from ISO2 isomerization | 116.1 | L |\n| INTR | nitrate from isoprene | 147.1 | L |\n| IOLE | internal alkene bond | 56.1 | L |\n|I | mononatomic iodine | 126.9 | E |\n|I2 | molecular iodine | 253.8 | E |\n|I2O2 | iodoyl iodide | 285.8 | E |\n|I2O3 | iodate iodide | 301.8 | E |\n|I2O4 | diiodine tetroxide | 317.8 | E |\n|IBR | iodine monobromide | 206.8 | E |\n|ICL | iodine monochloride | 162.4 | E |\n|INO | nitrosyl iodide | 156.9 | E |\n|INO2 | iodine nitrite | 172.9 | E |\n|INO3 | iodine nitrate | 188.9 | E |\n|IO | iodine oxide | 142.9 | E |\n| ISO2 | isoprene peroxy radical | 117.1 | L |\n| ISOP | isoprene | 68.1 | E |\n| ISOPRXN | counter species for aerosol from isoprene, volatility pathways | 68.1 | L |\n| ISPD | isoprene reaction products (methacrolein, methylvinyl ketone, others) | 70.1 | L |\n| ISPX | hydroperoxide from ISO2 reaction with HO2 | 118.1 | L |\n| KET | carbon-ketone bond | 72.1 | L |\n|MB3 | methenyl tribromide | 252.7 | E |\n|MB2 | methylene bromide | 173.8 | E |\n|MB2C | dibromochloromethane | 208.3 | E |\n|MBC2 | dibromochloromethane | 243.8 | E |\n|MBC | bromochloromethane | 129.4 | E |\n| MEO2 | methylperoxy radical | 47 | E |\n| MEOH | methanol | 32 | E |\n| MEPX | methylhydroperoxide | 48 | E |\n| MGLY | methyl glyoxal | 72 | E |\n|MI2 | methylene diiodide | 267.8 | E |\n|MIB | bromoiodomethane | 219.9 | E |\n|MIC | chloroiodomethane | 176.4 | E | \n| MMTNO3 | organic nitrates from monoterpene oxidation (Should not to be included for tracking nitrogen) | 231.0 | L |\n|MSA | methane sulfonic acid | 96.0 | E |\n| N2O5 | dinitrogen pentoxide | 108 | E |\n| NAPH | naphthalene | 128.2 | E |\n| NO | nitric oxide | 30 | E |\n| NO2 | nitrogen dioxide | 46 | E |\n| NO3 | nitrate radical | 62 | E |\n| NTR1 | monofunctional organic nitrates | 119.1 | L |\n| NTR2 | multifunctional organic nitrates | 135.1 | L |\n| O | ground-state oxygen atoms, O(3P) | 16 | E |\n| O1D | electronically excited oxygen atoms, O(1D) | 16 | E |\n| O3 | ozone | 48 | E |\n| OH | hydroxyl radical | 17 | E |\n|OIO | iodine dioxide | 158.9 | E |\n| OLE | terminal alkene bond | 42.1 | L |\n| OPAN | peroxyacylnitrate from OPO3 | 161 | L |\n| OPEN | aromatic ring opening product (an alkene and aldehyde) | 84 | L |\n| OPO3 | peroxyacyl radical from OPEN | 115 | L |\n| PACD | peroxycarboxylic acids | 76 | L |\n| PAHRO2 | counter species for aerosol from NAPH+OH | 187.2 | L |\n| PAN | peroxyacylnitrate | 121 | E |\n| PANX | peroxyacylnitrates with 3 or more carbons | 135 | L |\n| PAR | carbon-carbon single bond | 14.0 | L |\n| PCSOARXN | counter species for potential aerosol from combustion (from PCVOC reactions) | 170 | L |\n| PCVOC | tracer for potential combustion SOA VOCs | 170 | L |\n| PNA | peroxynitric acid | 79 | E |\n| PRPA | propane | 44.1 | E |\n| RO2 | total peroxy radical concentration | 87.1 | L |\n| ROOH | methylhydroperoxide | 90.1 | E |\n| ROR | secondary alkoxy radical | 71.1 | L |\n| SESQ | sesquiterpenes | 204 | L |\n| SESQRXN | counter species for aerosol from sesquiterpenes | 204 | L |\n| SO2 | sulfur dioxide | 64 | E |\n| SOAALK | tracer for alkanes that can form secondary organic aerosol | 112 | L |\n| SULF | sulfuric acid (gaseous) | 98 | E |\n| SULRXN | sulfate aerosol precursor | 98 | E |\n| SVAVB1\t | low volatility organic gas from oxidation of anthropogenic VOCs | 179.0 | L |\n| SVAVB2 | semivolatile organic gas from oxidation of anthropogenic VOCs | 169.0 | L |\n| SVAVB3 | semivolatile organic gas from oxidation of anthropogenic VOCs | 158.0 | L |\n| SVAVB4 | semivolatile organic gas from oxidation of anthropogenic VOCs | 198.0 | L |\n| TERP | monoterpenes | 136.2 | L |\n| TERPNRO2 | counter species for aerosol from TERP + NO3 | 197.0 | L |\n| TO2 | toluene peroxy radical | 173.1 | L |\n| TOL | toluene and other monoalkyl aromatics | 92.1 | L |\n| TOLRO2 | counter species for aerosol from TOL+OH | 141 | L |\n| TOLU | toluene | 92 | E |\n| TRPRXN | counter species for aerosol precursor from monoterpenes | 136.2 | L |\n| VIVPO1 | evaporated primary organic aerosol, intermed-volatility | 266 | L |\n| VLVOO1 | evaporated secondary organic aerosol, low-volatility, cat 1 | 136 | L |\n| VLVOO2 | evaporated secondary organic aerosol, low-volatility, cat 2 | 136 | L |\n| VLVPO1 | evaporated primary organic aerosol, low-volatility | 218 | L |\n| VSVOO1 | evaporated secondary organic aerosol, semi-volatile, cat 1 | 135 | L |\n| VSVOO2 | evaporated secondary organic aerosol, semi-volatile, cat 2 | 135 | L |\n| VSVOO3 | evaporated secondary organic aerosol, semi-volatile, cat 3 | 134 | L |\n| VSVPO1 | evaporated primary organic aerosol, semi-volatile, cat 1 | 230 | L |\n| VSVPO2 | evaporated primary organic aerosol, semi-volatile, cat 2 | 241 | L |\n| VSVPO3 | evaporated primary organic aerosol, semi-volatile, cat 3 | 253 | L |\n| XLO2 | peroxy radical from XYLMN+OH reaction | 187.1 | L |\n| XO2 | NO oxidation to NO2 via peroxy radical | 87.1 | L |\n| XO2H | NO oxidation to NO2 with HO2 production, from alkoxy radicals | 87.1 | L |\n| XO2N | nitrate production from NO reaction with peroxy radical | 87.1 | L |\n| XOPN | product of aromatic ring-opening reaction | 98.1 | L |\n| XPAR | organic nitrate production from PAR | 117.1 | L |\n| XPRP | organic nitrate production from PRPA | 89.1 | L |\n| XYLMN | xylene and other polyalkyl aromatics except naphthalene | 106.2 | L |\n| XYLRO2 | counter species for aerosol from XYLMN+OH | 155 | L |\n\n**The AE namelist for cb6r5m_ae7_aq has the following aerosol species.**\n\n| **Model Species** | **Definition** | **Molecular Weight** | **Explicit or Lumped** |\n| ----------------- | ---------------------------------------------------- | -------------------- | ---------------------- |\n| AAL | Aluminum | 27 | E |\n| AAVB1 | low volatility organic particulate matter from oxidation of anthropogenic VOCs | 198.0 | L |\n| AAVB2 | semivolailte organic particulate matter from oxidation of anthropogenic VOCs | 179.0 | L |\n| AAVB3 | semivolailte organic particulate matter from oxidation of anthropogenic VOCs | 169.0 | L |\n| AAVB4 | semivolailte organic particulate matter from oxidation of anthropogenic VOCs | 158.0 | L |\n| ABR | Bromide | 79.9 | E |\n| ACA | Calcium | 40.1 | E |\n| ACL | Chloride | 35.5 | E |\n| ACORS | Anthropogenic Coarse-mode particle mass | 100.0 | L |\n| AEC | Elemental Carbon | 12 | E |\n| AFE | Iron | 55.8 | E |\n| AGLY | Glyoxal and methylglyoxal SOA produced in aqueous aerosol material | 66.4 | L |\n| AH2O | Water | 18 | E |\n| AH3OP | Hydronium Ion | 19 | E |\n| AISO1 | Semivolatile SOA Product from Isoprene | 132.0 | L |\n| AISO2 | High-Volatility SOA Product from Isoprene | 133.0 | L |\n| AISO3 | Acid-catalyzed Isoprene Epoxydiol SOA | 168.2 | L |\n| AIVPO1 | Intermediate Volatility Primary Organic Compounds | 266 | L |\n| AK | Potassium | 39.1 | E |\n| ALVOO1 | Low Volatility Oxidized Combustion Organic Compounds | 136 | L |\n| ALVOO2 | Low Volatility Oxidized Combustion Organic Compounds | 136 | L |\n| ALVPO1 | Low Volatility Primary Organic Compounds | 218 | L |\n| AMG | Magnesium | 24.3 | E |\n| AMN | Manganese | 54.9 | E |\n| AMT1 | low volatility particulate matter from monoterpene photoxidation, C*=0.01 ug/m3 | 200.0 | L |\n| AMT2 | low volatility particulate matter from monoterpene photoxidation, C*=0.1 ug/m3 | 300.0 | L |\n| AMT3 | semivolailte particulate matter from monoterpene photoxidation, C*=1 ug/m3 | 186.0 | L |\n| AMT4 | semivolatile particulate matter from monoterpene photoxidation, C*=10 ug/m3 | 184.0 | L |\n| AMT5 | semivolatile particulate matter from monoterpene photoxidation, C*=100 ug/m3 | 170.0 | L |\n| AMT6 | semivolatile particulate matter from monoterpene photoxidation, C*=1000 ug/m3 | 168.0 | L |\n| AMTNO3J | semivolatile organic nitrates from monoterpene oxidation (Should not to be included for tracking nitrogen)| 231.0 | L |\n| AMTHYDJ | organic pseudo-hydrolysis accretion product from monoterpene organic nitrates (AMTNO3J) | 168.0| L |\n| ANA | Sodium | 23 | E |\n| ANH4 | Ammonium | 18 | E |\n| ANO3 | Nitrate | 62 | E |\n| AOLGA | Oligomer products of anthropogenic SOA compounds | 206.0 | L |\n| AOLGB | Oligomer products of biogenic SOA compounds | 248.0 | L |\n| AORGC | Glyoxal and Methylglyoxal SOA | 177.0 | L |\n| AORGH2O | Water associated with organic species of particulate matter | 18.0 | E |\n| AOTHR | Other Particulate Mass | 200 | L |\n| APCSO | Potential Combustion SOA | 170 | L |\n| APNCOM | Non-Carbon Organic Matter associated with APOC | 220.0 | L |\n| APOC | Primary Organic Carbon | 220.0 | L |\n| ASEACAT | Sea spray cations | 23.75 | L |\n| ASI | Silicon | 28.1 | E |\n| ASO4 | Sulfate | 96 | E |\n| ASOIL | Lumped crustal species | 100.0 | L |\n| ASQT | Semivolatile SOA Product from Sesquiterpenes | 273.0 | L |\n| ASVOO1 | Semivolatile Oxidized Combustion Organic Compounds | 135 | L |\n| ASVOO2 | Semivolatile Oxidized Combustion Organic Compounds | 135 | L |\n| ASVOO3 | Semivolatile Oxidized Combustion Organic Compounds | 134 | L |\n| ASVPO1 | Semivolatile Primary Organic Compounds | 230 | L |\n| ASVPO2 | Semivolatile Primary Organic Compounds | 241 | L |\n| ASVPO3 | Semivolatile Primary Organic Compounds | 253 | L |\n| ATI | Titanium | 47.9 | E |\n| NUMACC | Accum. Mode Number Conc | NA | NA |\n| NUMAIT | Aitken Mode Number Conc | NA | NA |\n| NUMCOR | Coarse Mode Number Conc | NA | NA |\n| SRFACC | Accum. Mode Surface Area Conc | NA | NA |\n| SRFAIT | Aitken Mode Surface Area Conc | NA | NA |\n| SRFCOR | Coarse Mode Surface Area Conc | NA | NA |\n\nNote that for each aerosol mass species, a letter will be appended to the names below in order to designate the size, or mode, of the aerosol being represented: I = Aitken mode, J = Accumulation mode, K = Coarse mode. \n\n**The NR namelist for cb6r5m_ae7_aq has the following gas phase species.**\n\n| **Model Species** | **Definition** | **Molecular Weight** | **Explicit or Lumped** |\n| ----------------- | ---------------------------------------------------- | -------------------- | ---------------------- |\n| LVPCSOG | surrogate SOA precursor gas for combustion/anthropogenic sources | 170.0 | L | \n| NH3 | ammonia | 17.0 | E | \n| SVMT1 | low volatility gas from monoterpene photoxidation | 300.0 | L |\n| SVMT2 | low volatility gas from monoterpene photoxidation | 200.0 | L |\n| SVMT3 | semivolatile gas from monoterpene photoxidation | 186.0 | L |\n| SVMT4 | semivolatile gas from monoterpene photoxidation | 184.0 | L |\n| SVMT5 | semivolatile gas from monoterpene photoxidation | 170.0 | L |\n| SVMT6 | semivolatile gas from monoterpene photoxidation | 168.0 | L |\n| SVISO1 | semivolatile gas of secondary aerosol material from isoprene | 132.0 | L | \n| SVISO2 | semivolatile gas of secondary aerosol material from isoprene | 133.0 | L | \n| SVSQT | semivolatile gas of secondary aerosol material from sesquiterpenes | 273.0 | L | \n" }, { "path": "CCTM/src/MECHS/mechanism_information/cb6r5m_ae7_aq/mech_cb6r5m_ae7_aq.md", "content": "Information is based on the mech.def file.\n* Fall-off or pressure dependent reaction rate constants (M equals air number density):\n * For rate constants with ko, ki, n, F values: k = [ koM/(1+koM/ki)]FG, where G=(1+(log10(koM/ki)/n)2))-1 \n * For rate constants with k1, k2: k = k1 + k2M\n * For rate constants with k0, k2, k3: k = k0 + k3M/(1+k3M/k2)\n * For rate constants with k1, k2, k3: k = k1 + k2M + k3 \n\n* For rate constants with the form A<_Reference_>, k equals A times a reference that represents photolysis rate, a heteorogeneous rate constant, rate constant for the given reaction or an operator. A equals one if not given.\n\n* In the mechanism definition file, the rate is formatted as\n * A~<_HETEOROGENEOUS_>\n * A*K<_REACTION_>\n * A/<_PHOTOLYSIS_>\n * A?<_OPERATOR_>\n\n|Label|Reaction |Rate Constant Formula| Value
molecules/(sec*cm3)| \n|:---|:-------------------|:--------------------|:----:| \n| R1 | NO2 ----> NO + O | NO2_IUPAC10 | Not Available1 | \n| R2 | O + O2 + M ----> O3 | 6.00E-34(T/300) -2.60 | 6.0973E-34 |\n| R3 | O3 + NO ----> NO2 | 2.07E-12e -1400.00/T | 1.8910E-14 |\n| R4 | O + NO ----> NO2 | ko= 1.00E-31e 0.0/T(T/300) -1.60
ki = 5.00E-11e 0.0/T(T/300) 0.30
n= 0.84;F= 0.85 | 2.2577E-12 |\n| R5 | O + NO2 ----> NO | 5.10E-12e 198.00/T | 9.9079E-12 |\n| R6 | O + NO2 ----> NO3 | ko= 1.30E-31e 0.0/T(T/300) -1.50
ki = 2.30E-11e 0.0/T(T/300) 0.24
n= 1.03;F= 0.60 | 2.0907E-12 |\n| R7 | O + O3 ----> | 8.00E-12e -2060.00/T | 7.9879E-15 |\n| R8 | O3 ----> O | O3_O3P_IUPAC10 | Not Available1 | \n| R9 | O3 ----> O1D | O3_O1D_IUPAC10 | Not Available1 | \n| R10 | O1D + M ----> O | 2.23E-11e 115.00/T | 3.2796E-11 |\n| R11 | O1D + H2O ----> 2.000\\*OH | 2.1400E-10 | 2.1400E-10 |\n| R12 | O3 + OH ----> HO2 | 1.70E-12e -940.00/T | 7.2647E-14 |\n| R13 | O3 + HO2 ----> OH | 2.03E-16e 693.00/T(T/300) 4.57 | 2.0168E-15 |\n| R14 | OH + O ----> HO2 | 2.40E-11e 110.00/T | 3.4709E-11 |\n| R15 | HO2 + O ----> OH | 3.00E-11e 200.00/T | 5.8674E-11 |\n| R16 | OH + OH ----> O | 6.20E-14e 945.00/T(T/300) 2.60 | 1.4519E-12 |\n| R17 | OH + OH ----> H2O2 | ko= 9.00E-31e 0.0/T(T/300) -3.20
ki = 3.90E-11e 0.0/T(T/300) -0.47
n= 1.23;F= 0.42 | 6.2071E-12 |\n| R18 | OH + HO2 ----> | 4.80E-11e 250.00/T | 1.1102E-10 |\n| R19 | HO2 + HO2 ----> H2O2 | k0= 2.20E-13e 600.0/T
k1= 1.90E-33e 980.0/T | 2.8975E-12 |\n| R20 | HO2 + HO2 + H2O ----> H2O2 | k0= 3.08E-34e 2800.0/T
k1= 2.66E-54e 3180.0/T | 6.4973E-30 |\n| R21 | H2O2 ----> 2.000\\*OH | H2O2_IUPAC10 | Not Available1 | \n| R22 | H2O2 + OH ----> HO2 | 1.8000E-12 | 1.8000E-12 |\n| R23 | H2O2 + O ----> OH + HO2 | 1.40E-12e -2000.00/T | 1.7095E-15 |\n| R24 | NO + NO + O2 ----> 2.000\\*NO2 | 4.25E-39e 664.00/T | 3.9409E-38 |\n| R25 | HO2 + NO ----> OH + NO2 | 3.45E-12e 270.00/T | 8.5332E-12 |\n| R26 | NO2 + O3 ----> NO3 | 1.40E-13e -2470.00/T | 3.5339E-17 |\n| R27 | NO3 ----> NO2 + O | NO3NO2_06 | Not Available1 | \n| R28 | NO3 ----> NO | NO3NO_06 | Not Available1 | \n| R29 | NO3 + NO ----> 2.000\\*NO2 | 1.80E-11e 110.00/T | 2.6032E-11 |\n| R30 | NO3 + NO2 ----> NO + NO2 | 4.50E-14e -1260.00/T | 6.5744E-16 |\n| R31 | NO3 + O ----> NO2 | 1.7000E-11 | 1.7000E-11 |\n| R32 | NO3 + OH ----> HO2 + NO2 | 2.0000E-11 | 2.0000E-11 |\n| R33 | NO3 + HO2 ----> OH + NO2 | 4.0000E-12 | 4.0000E-12 |\n| R34 | NO3 + O3 ----> NO2 | 1.0000E-17 | 1.0000E-17 |\n| R35 | NO3 + NO3 ----> 2.000\\*NO2 | 8.50E-13e -2450.00/T | 2.2944E-16 |\n| R36 | NO3 + NO2 ----> N2O5 | ko= 3.60E-30e 0.0/T(T/300) -4.10
ki = 1.90E-12e 0.0/T(T/300) 0.20
n= 1.33;F= 0.35 | 1.2406E-12 |\n| R37 | N2O5 ----> NO3 + NO2 | ko= 1.30E-03e-11000.0/T(T/300) -3.50
ki = 9.70E+14e-11080.0/T(T/300) 0.10
n= 1.33;F= 0.35 | 4.5396E-02 |\n| R38 | N2O5 ----> NO2 + NO3 | N2O5_IUPAC10 | Not Available1 | \n| R39 | N2O5 + H2O ----> 2.000\\*HNO3 | 1.0000E-22 | 1.0000E-22 |\n| R40 | NO + OH ----> HONO | ko= 7.40E-31e 0.0/T(T/300) -2.40
ki = 3.30E-11e 0.0/T(T/300) -0.30
n= 0.87;F= 0.81 | 9.7627E-12 |\n| R41 | NO + NO2 + H2O ----> 2.000\\*HONO | 5.0000E-40 | 5.0000E-40 |\n| R42 | HONO + HONO ----> NO + NO2 | 1.0000E-20 | 1.0000E-20 |\n| R43 | HONO ----> NO + OH | HONO_IUPAC10 | Not Available1 | \n| R44 | HONO + OH ----> NO2 | 2.50E-12e 260.00/T | 5.9795E-12 |\n| R45 | NO2 + OH ----> HNO3 | ko= 1.80E-30e 0.0/T(T/300) -3.00
ki = 2.80E-11e 0.0/T(T/300) 0.00
n= 1.00;F= 0.60 | 1.0589E-11 |\n| R46 | HNO3 + OH ----> NO3 | k0= 2.40E-14e 460.0/T
k1= 2.70E-17e 2199.0/T
k3= 6.50E-34e 1335.0/T | 1.5409E-13 |\n| R47 | HNO3 ----> OH + NO2 | HNO3_IUPAC10 | Not Available1 | \n| R48 | HO2 + NO2 ----> PNA | ko= 1.40E-31e 0.0/T(T/300) -3.10
ki = 4.00E-12e 0.0/T(T/300) 0.00
n= 1.26;F= 0.40 | 7.4949E-13 |\n| R49 | PNA ----> HO2 + NO2 | ko= 4.10E-05e-10650.0/T(T/300) 0.00
ki = 6.00E+15e-11170.0/T(T/300) 0.00
n= 1.26;F= 0.40 | 6.3131E-02 |\n| R50 | PNA ----> 0.590\\*HO2 + 0.590\\*NO2 + 0.410\\*OH + 0.410\\*NO3 | PNA_IUPAC10 | Not Available1 | \n| R51 | PNA + OH ----> NO2 | 3.20E-13e 690.00/T | 3.2376E-12 |\n| R52 | SO2 + OH ----> SULF + HO2 + SULRXN | ko= 2.80E-31e 0.0/T(T/300) -2.60
ki = 2.00E-12e 0.0/T(T/300) 0.00
n= 1.10;F= 0.53 | 9.3422E-13 |\n| R53 | C2O3 + NO ----> NO2 + MEO2 + RO2 | 7.50E-12e 290.00/T | 1.9837E-11 |\n| R54 | C2O3 + NO2 ----> PAN | ko= 3.61E-28e 0.0/T(T/300) -6.87
ki = 1.24E-11e 0.0/T(T/300) -1.10
n= 1.41;F= 0.30 | 9.8670E-12 |\n| R55 | PAN ----> NO2 + C2O3 | ko= 1.10E-05e-10100.0/T(T/300) 0.00
ki = 1.90E+17e-14100.0/T(T/300) 0.00
n= 1.41;F= 0.30 | 4.4073E-04 |\n| R56 | PAN ----> 0.600\\*NO2 + 0.600\\*C2O3 + 0.400\\*NO3 + 0.400\\*MEO2 + 0.400\\*RO2 | PAN_IUPAC10 | Not Available1 | \n| R57 | C2O3 + HO2 ----> 0.370\\*PACD + 0.130\\*AACD + 0.130\\*O3 + 0.500\\*MEO2 + 0.500\\*RO2 + 0.500\\*OH | 3.14E-12e 580.00/T | 2.1967E-11 |\n| R58 | C2O3 + RO2 ----> MEO2 | 4.40E-13e 1070.00/T | 1.5924E-11 |\n| R59 | C2O3 + C2O3 ----> 2.000\\*MEO2 + 2.000\\*RO2 | 2.90E-12e 500.00/T | 1.5514E-11 |\n| R60 | C2O3 + CXO3 ----> MEO2 + ALD2 + XO2H + 2.000\\*RO2 | R59 | 1.5514E-117| \n| R61 | CXO3 + NO ----> NO2 + ALD2 + XO2H + RO2 | 6.70E-12e 340.00/T | 2.0957E-11 |\n| R62 | CXO3 + NO2 ----> PANX | 8.4000E-01\\*R54 | 8.2883E-127| \n| R63 | PANX ----> NO2 + CXO3 | 8.4000E-01\\*R55 | 3.7022E-047| \n| R64 | PANX ----> 0.600\\*NO2 + 0.600\\*CXO3 + 0.400\\*NO3 + 0.400\\*ALD2 + 0.400\\*XO2H + 0.400\\*RO2 | PAN_IUPAC10 | Not Available1 | \n| R65 | CXO3 + HO2 ----> 0.370\\*PACD + 0.130\\*AACD + 0.130\\*O3 + 0.500\\*OH + 0.500\\*MEO2 + 0.500\\*RO2 | R57 | 2.1967E-117| \n| R66 | CXO3 + RO2 ----> MEO2 | R58 | 1.5924E-117| \n| R67 | CXO3 + CXO3 ----> 2.000\\*MEO2 + 2.000\\*RO2 | R59 | 1.5514E-117| \n| R68 | RO2 + NO ----> NO | 2.40E-12e 360.00/T | 8.0278E-12 |\n| R69 | RO2 + HO2 ----> HO2 | 4.80E-13e 800.00/T | 7.0234E-12 |\n| R70 | RO2 + RO2 ----> | 6.50E-14e 500.00/T | 3.4772E-13 |\n| R71 | MEO2 + NO ----> FORM + HO2 + NO2 | 2.30E-12e 360.00/T | 7.6933E-12 |\n| R72 | MEO2 + HO2 ----> 0.900\\*MEPX + 0.100\\*FORM | 3.80E-13e 780.00/T | 5.1994E-12 |\n| R73 | MEO2 + C2O3 ----> FORM + 0.900\\*HO2 + 0.900\\*MEO2 + 0.100\\*AACD + 0.900\\*RO2 | 2.00E-12e 500.00/T | 1.0699E-11 |\n| R74 | MEO2 + RO2 ----> 0.685\\*FORM + 0.315\\*MEOH + 0.370\\*HO2 + RO2 | R70 | 3.4772E-137| \n| R75 | XO2H + NO ----> NO2 + HO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| R76 | XO2H + HO2 ----> ROOH | 6.80E-13e 800.00/T | 9.9498E-12 |\n| R77 | XO2H + C2O3 ----> 0.800\\*HO2 + 0.800\\*MEO2 + 0.200\\*AACD + 0.800\\*RO2 | R58 | 1.5924E-117| \n| R78 | XO2H + RO2 ----> 0.600\\*HO2 + RO2 | R70 | 3.4772E-137| \n| R79 | XO2 + NO ----> NO2 | R75 | 9.0313E-127| \n| R80 | XO2 + HO2 ----> ROOH | R76 | 9.9498E-127| \n| R81 | XO2 + C2O3 ----> 0.800\\*MEO2 + 0.200\\*AACD + 0.800\\*RO2 | R58 | 1.5924E-117| \n| R82 | XO2 + RO2 ----> RO2 | R70 | 3.4772E-137| \n| R83 | XO2N + NO ----> 0.500\\*NTR1 + 0.500\\*NTR2 | R75 | 9.0313E-127| \n| R84 | XO2N + HO2 ----> ROOH | R76 | 9.9498E-127| \n| R85 | XO2N + C2O3 ----> 0.800\\*HO2 + 0.800\\*MEO2 + 0.200\\*AACD + 0.800\\*RO2 | R58 | 1.5924E-117| \n| R86 | XO2N + RO2 ----> RO2 | R70 | 3.4772E-137| \n| R87 | MEPX + OH ----> 0.600\\*MEO2 + 0.600\\*RO2 + 0.400\\*FORM + 0.400\\*OH | 5.30E-12e 190.00/T | 1.0024E-11 |\n| R88 | MEPX ----> MEO2 + RO2 + OH | MEPX_IUPAC10 | Not Available1 | \n| R89 | ROOH + OH ----> 0.540\\*XO2H + 0.060\\*XO2N + 0.600\\*RO2 + 0.400\\*OH | 5.30E-12e 190.00/T | 1.0024E-11 |\n| R90 | ROOH ----> HO2 + OH | MEPX_IUPAC10 | Not Available1 | \n| R91 | NTR1 + OH ----> NTR2 | 2.0000E-12 | 2.0000E-12 |\n| R92 | NTR1 ----> NO2 | NTR_IUPAC10 | Not Available1 | \n| R93 | FACD + OH ----> HO2 | 4.5000E-13 | 4.5000E-13 |\n| R94 | AACD + OH ----> MEO2 + RO2 | 4.00E-14e 850.00/T | 6.9214E-13 |\n| R95 | PACD + OH ----> C2O3 | 5.30E-12e 190.00/T | 1.0024E-11 |\n| R96 | FORM + OH ----> HO2 + CO | 5.40E-12e 135.00/T | 8.4926E-12 |\n| R97 | FORM ----> 2.000\\*HO2 + CO | FORM_R_IUPAC13 | Not Available1 | \n| R98 | FORM ----> CO | FORM_M_IUPAC13 | Not Available1 | \n| R99 | FORM + O ----> OH + HO2 + CO | 3.40E-11e -1600.00/T | 1.5881E-13 |\n| R100 | FORM + NO3 ----> HNO3 + HO2 + CO | 5.5000E-16 | 5.5000E-16 |\n| R101 | FORM + HO2 ----> HCO3 | 9.70E-15e 625.00/T | 7.8916E-14 |\n| R102 | HCO3 ----> FORM + HO2 | 2.40E+12e -7000.00/T | 1.5268E+02 |\n| R103 | HCO3 + NO ----> FACD + NO2 + HO2 | 5.6000E-12 | 5.6000E-12 |\n| R104 | HCO3 + HO2 ----> 0.500\\*MEPX + 0.500\\*FACD + 0.200\\*OH + 0.200\\*HO2 | 5.60E-15e 2300.00/T | 1.2544E-11 |\n| R105 | ALD2 + O ----> C2O3 + OH | 1.80E-11e -1100.00/T | 4.4976E-13 |\n| R106 | ALD2 + OH ----> C2O3 | 4.70E-12e 345.00/T | 1.4950E-11 |\n| R107 | ALD2 + NO3 ----> C2O3 + HNO3 | 1.40E-12e -1860.00/T | 2.7340E-15 |\n| R108 | ALD2 ----> MEO2 + RO2 + CO + HO2 | ALD2_R_IUPAC13 | Not Available1 | \n| R109 | ALDX + O ----> CXO3 + OH | 1.30E-11e -870.00/T | 7.0255E-13 |\n| R110 | ALDX + OH ----> CXO3 | 4.90E-12e 405.00/T | 1.9060E-11 |\n| R111 | ALDX + NO3 ----> CXO3 + HNO3 | 6.3000E-15 | 6.3000E-15 |\n| R112 | ALDX ----> ALD2 + XO2H + RO2 + CO + HO2 | ALDX_R_IUPAC13 | Not Available1 | \n| R113 | GLYD + OH ----> 0.200\\*GLY + 0.200\\*HO2 + 0.800\\*C2O3 | 8.0000E-12 | 8.0000E-12 |\n| R114 | GLYD ----> 0.740\\*FORM + 0.890\\*CO + 1.400\\*HO2 + 0.150\\*MEOH + 0.190\\*OH + 0.110\\*GLY + 0.110\\*XO2H + 0.110\\*RO2 | GLYD_IUPAC13 | Not Available1 | \n| R115 | GLYD + NO3 ----> HNO3 + C2O3 | R107 | 2.7340E-157| \n| R116 | GLY + OH ----> 1.800\\*CO + 0.200\\*XO2 + 0.200\\*RO2 + HO2 | 3.10E-12e 340.00/T | 9.6965E-12 |\n| R117 | GLY ----> 2.000\\*HO2 + 2.000\\*CO | GLY_R_IUPAC13 | Not Available1 | \n| R118 | GLY + NO3 ----> HNO3 + 1.500\\*CO + 0.500\\*XO2 + 0.500\\*RO2 + HO2 | 4.0000E-16 | 4.0000E-16 |\n| R119 | MGLY ----> C2O3 + HO2 + CO | MGLY_IUPAC10 | Not Available1 | \n| R120 | MGLY + NO3 ----> HNO3 + C2O3 + XO2 + RO2 | 5.0000E-16 | 5.0000E-16 |\n| R121 | MGLY + OH ----> C2O3 + CO | 1.90E-12e 575.00/T | 1.3071E-11 |\n| R122 | OH + H2 ----> HO2 | 7.70E-12e -2100.00/T | 6.7230E-15 |\n| R123 | CO + OH ----> HO2 | k0= 1.44E-13e 0.0/T
k1= 3.43E-33e 0.0/T | 2.2843E-13 |\n| R124 | OH + CH4 ----> MEO2 + RO2 | 1.85E-12e -1690.00/T | 6.3895E-15 |\n| R125 | ETHA + OH ----> 0.991\\*ALD2 + 0.991\\*XO2H + 0.009\\*XO2N + RO2 | 6.90E-12e -1000.00/T | 2.4111E-13 |\n| R126 | MEOH + OH ----> FORM + HO2 | 2.85E-12e -345.00/T | 8.9600E-13 |\n| R127 | ETOH + OH ----> 0.950\\*ALD2 + 0.900\\*HO2 + 0.100\\*XO2H + 0.100\\*RO2 + 0.078\\*FORM + 0.011\\*GLYD | 3.00E-12e 20.00/T | 3.2081E-12 |\n| R128 | KET ----> 0.500\\*ALD2 + 0.500\\*C2O3 + 0.500\\*XO2H + 0.500\\*CXO3 + 0.500\\*MEO2 + RO2 - 2.500\\*PAR | KET_IUPAC10 | Not Available1 | \n| R129 | ACET ----> 0.380\\*CO + 1.380\\*MEO2 + 1.380\\*RO2 + 0.620\\*C2O3 | ACET_IUPAC10 | Not Available1 | \n| R130 | ACET + OH ----> FORM + C2O3 + XO2 + RO2 | 1.41E-12e -620.60/T | 1.7589E-13 |\n| R131 | PRPA + OH ----> XPRP | 7.60E-12e -585.00/T | 1.0683E-12 |\n| R132 | PAR + OH ----> XPAR | 8.1000E-13 | 8.1000E-13 |\n| R133 | ROR ----> 0.200\\*KET + 0.420\\*ACET + 0.740\\*ALD2 + 0.370\\*ALDX + 0.040\\*XO2N + 0.940\\*XO2H + 0.980\\*RO2 + 0.020\\*ROR - 2.700\\*PAR | 5.70E+12e -5780.00/T | 2.1704E+04 |\n| R134 | ROR + O2 ----> KET + HO2 | 1.50E-14e -200.00/T | 7.6695E-15 |\n| R135 | ROR + NO2 ----> NTR1 | 8.60E-12e 400.00/T | 3.2897E-11 |\n| R136 | ETHY + OH ----> 0.700\\*GLY + 0.700\\*OH + 0.300\\*FACD + 0.300\\*CO + 0.300\\*HO2 | ko= 5.00E-30e 0.0/T(T/300) -1.50
ki = 1.00E-12e 0.0/T(T/300) 0.00
n= 1.30;F= 0.37 | 7.5233E-13 |\n| R137 | ETH + O ----> FORM + HO2 + CO + 0.700\\*XO2H + 0.700\\*RO2 + 0.300\\*OH | 1.04E-11e -792.00/T | 7.3010E-13 |\n| R138 | ETH + OH ----> XO2H + RO2 + 1.560\\*FORM + 0.220\\*GLYD | ko= 8.60E-29e 0.0/T(T/300) -3.10
ki = 9.00E-12e 0.0/T(T/300) -0.85
n= 1.15;F= 0.48 | 7.8392E-12 |\n| R139 | ETH + O3 ----> FORM + 0.350\\*CO + 0.270\\*HO2 + 0.170\\*OH + 0.420\\*FACD | 6.82E-15e -2500.00/T | 1.5567E-18 |\n| R140 | ETH + NO3 ----> 0.500\\*NO2 + 0.500\\*NTR1 + 0.500\\*XO2H + 0.500\\*XO2 + RO2 + 1.125\\*FORM | 3.30E-12e -2880.00/T | 2.1058E-16 |\n| R141 | OLE + O ----> 0.200\\*ALD2 + 0.300\\*ALDX + 0.100\\*HO2 + 0.200\\*XO2H + 0.200\\*CO + 0.200\\*FORM + 0.010\\*XO2N + 0.210\\*RO2 + 0.200\\*PAR + 0.100\\*OH | 1.00E-11e -280.00/T | 3.9097E-12 |\n| R142 | OLE + OH ----> 0.781\\*FORM + 0.488\\*ALD2 + 0.488\\*ALDX + 0.976\\*XO2H + 0.195\\*XO2 + 0.024\\*XO2N + 1.195\\*RO2 - 0.730\\*PAR | ko= 8.00E-27e 0.0/T(T/300) -3.50
ki = 3.00E-11e 0.0/T(T/300) -1.00
n= 1.13;F= 0.50 | 2.8547E-11 |\n| R143 | OLE + O3 ----> 0.295\\*ALD2 + 0.555\\*FORM + 0.270\\*ALDX + 0.150\\*XO2H + 0.150\\*RO2 + 0.334\\*OH + 0.080\\*HO2 + 0.378\\*CO + 0.075\\*GLY + 0.075\\*MGLY + 0.090\\*FACD + 0.130\\*AACD + 0.040\\*H2O2 - 0.790\\*PAR | 5.50E-15e -1880.00/T | 1.0044E-17 |\n| R144 | OLE + NO3 ----> 0.500\\*NO2 + 0.500\\*NTR1 + 0.480\\*XO2 + 0.480\\*XO2H + 0.040\\*XO2N + RO2 + 0.500\\*FORM + 0.250\\*ALD2 + 0.375\\*ALDX - PAR | 4.60E-13e -1155.00/T | 9.5576E-15 |\n| R145 | IOLE + O ----> 1.240\\*ALD2 + 0.660\\*ALDX + 0.100\\*XO2H + 0.100\\*RO2 + 0.100\\*CO + 0.100\\*PAR | 2.3000E-11 | 2.3000E-11 |\n| R146 | IOLE + OH ----> 1.300\\*ALD2 + 0.700\\*ALDX + XO2H + RO2 | 1.05E-11e 519.00/T | 5.9866E-11 |\n| R147 | IOLE + O3 ----> 0.732\\*ALD2 + 0.442\\*ALDX + 0.128\\*FORM + 0.245\\*CO + 0.500\\*OH + 0.300\\*XO2H + 0.300\\*RO2 + 0.240\\*GLY + 0.060\\*MGLY + 0.290\\*PAR + 0.080\\*AACD + 0.080\\*H2O2 | 4.70E-15e -1013.00/T | 1.5723E-16 |\n| R148 | IOLE + NO3 ----> 0.500\\*NO2 + 0.500\\*NTR1 + 0.480\\*XO2 + 0.480\\*XO2H + 0.040\\*XO2N + RO2 + 0.500\\*ALD2 + 0.625\\*ALDX + PAR | 3.7000E-13 | 3.7000E-13 |\n| R149 | ISOP + OH ----> ISO2 + RO2 + ISOPRXN | 2.70E-11e 390.00/T | 9.9873E-11 |\n| R150 | ISOP + O ----> 0.750\\*ISPD + 0.500\\*FORM + 0.250\\*XO2 + 0.250\\*RO2 + 0.250\\*HO2 + 0.250\\*CXO3 + 0.250\\*PAR | 3.0000E-11 | 3.0000E-11 |\n| R151 | ISO2 + NO ----> 0.100\\*INTR + 0.900\\*NO2 + 0.673\\*FORM + 0.900\\*ISPD + 0.818\\*HO2 + 0.082\\*XO2H + 0.082\\*RO2 | 2.39E-12e 365.00/T | 8.1296E-12 |\n| R152 | ISO2 + HO2 ----> 0.880\\*ISPX + 0.120\\*OH + 0.120\\*HO2 + 0.120\\*FORM + 0.120\\*ISPD | 7.43E-13e 700.00/T | 7.7737E-12 |\n| R153 | ISO2 + C2O3 ----> 0.598\\*FORM + ISPD + 0.728\\*HO2 + 0.072\\*XO2H + 0.800\\*MEO2 + 0.200\\*AACD + 0.872\\*RO2 | R58 | 1.5924E-117| \n| R154 | ISO2 + RO2 ----> 0.598\\*FORM + ISPD + 0.728\\*HO2 + 0.072\\*XO2H + 1.072\\*RO2 | R70 | 3.4772E-137| \n| R155 | ISO2 ----> HO2 + HPLD | 3.30E+09e -8300.00/T | 2.6821E-03 |\n| R156 | ISOP + O3 ----> 0.600\\*FORM + 0.650\\*ISPD + 0.150\\*ALDX + 0.200\\*CXO3 + 0.350\\*PAR + 0.266\\*OH + 0.200\\*XO2 + 0.200\\*RO2 + 0.066\\*HO2 + 0.066\\*CO | 1.03E-14e -1995.00/T | 1.2790E-17 |\n| R157 | ISOP + NO3 ----> 0.350\\*NO2 + 0.650\\*NTR2 + 0.640\\*XO2H + 0.330\\*XO2 + 0.030\\*XO2N + RO2 + 0.350\\*FORM + 0.350\\*ISPD + ISOPRXN | 3.03E-12e -448.00/T | 6.7433E-13 |\n| R158 | ISPD + OH ----> 0.022\\*XO2N + 0.521\\*XO2 + 0.115\\*MGLY + 0.115\\*MEO2 + 0.269\\*GLYD + 0.269\\*C2O3 + 0.457\\*OPO3 + 0.117\\*PAR + 0.137\\*ACET + 0.137\\*CO + 0.137\\*HO2 + 0.658\\*RO2 | 5.58E-12e 511.00/T | 3.0972E-11 |\n| R159 | ISPD + O3 ----> 0.040\\*ALD2 + 0.231\\*FORM + 0.531\\*MGLY + 0.170\\*GLY + 0.170\\*ACET + 0.543\\*CO + 0.461\\*OH + 0.150\\*FACD + 0.398\\*HO2 + 0.143\\*C2O3 | 3.88E-15e -1770.00/T | 1.0247E-17 |\n| R160 | ISPD + NO3 ----> 0.717\\*HNO3 + 0.142\\*NTR2 + 0.142\\*NO2 + 0.142\\*XO2 + 0.142\\*XO2H + 0.113\\*GLYD + 0.113\\*MGLY + 0.717\\*PAR + 0.717\\*CXO3 + 0.284\\*RO2 | 4.10E-12e -1860.00/T | 8.0066E-15 |\n| R161 | ISPD ----> 0.760\\*HO2 + 0.340\\*XO2H + 0.160\\*XO2 + 0.340\\*MEO2 + 0.208\\*C2O3 + 0.260\\*FORM + 0.240\\*OLE + 0.240\\*PAR + 0.170\\*ACET + 0.128\\*GLYD + 0.840\\*RO2 | ISPD | Not Available1 | \n| R162 | ISPX + OH ----> 0.904\\*EPOX + 0.933\\*OH + 0.067\\*ISO2 + 0.067\\*RO2 + 0.029\\*IOLE + 0.029\\*ALDX | 2.23E-11e 372.00/T | 7.7655E-11 |\n| R163 | HPLD ----> OH + ISPD | HPALD | Not Available1 | \n| R164 | HPLD + NO3 ----> HNO3 + ISPD | 6.00E-12e -1860.00/T | 1.1717E-14 |\n| R165 | EPOX + OH ----> EPX2 + RO2 | 5.78E-11e -400.00/T | 1.5110E-11 |\n| R166 | EPX2 + HO2 ----> 0.275\\*GLYD + 0.275\\*GLY + 0.275\\*MGLY + 1.125\\*OH + 0.825\\*HO2 + 0.375\\*FORM + 0.074\\*FACD + 0.251\\*CO + 2.175\\*PAR | 7.43E-13e 700.00/T | 7.7737E-12 |\n| R167 | EPX2 + NO ----> 0.275\\*GLYD + 0.275\\*GLY + 0.275\\*MGLY + 0.125\\*OH + 0.825\\*HO2 + 0.375\\*FORM + NO2 + 0.251\\*CO + 2.175\\*PAR | 2.39E-12e 365.00/T | 8.1296E-12 |\n| R168 | EPX2 + C2O3 ----> 0.220\\*GLYD + 0.220\\*GLY + 0.220\\*MGLY + 0.100\\*OH + 0.660\\*HO2 + 0.300\\*FORM + 0.200\\*CO + 1.740\\*PAR + 0.800\\*MEO2 + 0.200\\*AACD + 0.800\\*RO2 | R58 | 1.5924E-117| \n| R169 | EPX2 + RO2 ----> 0.275\\*GLYD + 0.275\\*GLY + 0.275\\*MGLY + 0.125\\*OH + 0.825\\*HO2 + 0.375\\*FORM + 0.251\\*CO + 2.175\\*PAR + RO2 | R70 | 3.4772E-137| \n| R170 | INTR + OH ----> 0.630\\*XO2 + 0.370\\*XO2H + RO2 + 0.444\\*NO2 + 0.185\\*NO3 + 0.104\\*INTR + 0.592\\*FORM + 0.331\\*GLYD + 0.185\\*FACD + 2.700\\*PAR + 0.098\\*OLE + 0.078\\*ALDX + 0.266\\*NTR2 | 3.1000E-11 | 3.1000E-11 |\n| R171 | TERP + O ----> 0.150\\*ALDX + 5.120\\*PAR + TRPRXN | 3.6000E-11 | 3.6000E-11 |\n| R172 | TERP + OH ----> 0.750\\*XO2H + 0.500\\*XO2 + 0.250\\*XO2N + 1.500\\*RO2 + 0.280\\*FORM + 1.660\\*PAR + 0.470\\*ALDX + TRPRXN | 1.50E-11e 449.00/T | 6.7627E-11 |\n| R173 | TERP + O3 ----> 0.570\\*OH + 0.070\\*XO2H + 0.690\\*XO2 + 0.180\\*XO2N + 0.940\\*RO2 + 0.240\\*FORM + 0.001\\*CO + 7.000\\*PAR + 0.210\\*ALDX + 0.390\\*CXO3 + TRPRXN | 1.20E-15e -821.00/T | 7.6434E-17 |\n| R174 | TERP + NO3 ----> 0.470\\*NO2 + 0.280\\*XO2H + 0.750\\*XO2 + 0.250\\*XO2N + 1.280\\*RO2 + 0.470\\*ALDX + 0.530\\*NTR2 + TERPNRO2 | 3.70E-12e 175.00/T | 6.6544E-12 |\n| R171a | APIN + O ----> 0.150\\*ALDX + 5.120\\*PAR + TRPRXN | 3.6000E-11 | 3.6000E-11 |\n| R172a | APIN + OH ----> 0.750\\*XO2H + 0.500\\*XO2 + 0.250\\*XO2N + 1.500\\*RO2 + 0.280\\*FORM + 1.660\\*PAR + 0.470\\*ALDX + TRPRXN | 1.50E-11e 449.00/T | 6.7627E-11 |\n| R173a | APIN + O3 ----> 0.570\\*OH + 0.070\\*XO2H + 0.690\\*XO2 + 0.180\\*XO2N + 0.940\\*RO2 + 0.240\\*FORM + 0.001\\*CO + 7.000\\*PAR + 0.210\\*ALDX + 0.390\\*CXO3 + TRPRXN | 1.20E-15e -821.00/T | 7.6434E-17 |\n| R174a | APIN + NO3 ----> 0.470\\*NO2 + 0.280\\*XO2H + 0.750\\*XO2 + 0.250\\*XO2N + 1.280\\*RO2 + 0.470\\*ALDX + 0.530\\*NTR2 | 3.70E-12e 175.00/T | 6.6544E-12 |\n| R175 | BENZENE + OH ----> 0.530\\*CRES + 0.352\\*BZO2 + 0.352\\*RO2 + 0.118\\*OPEN + 0.118\\*OH + 0.530\\*HO2 + BENZRO2 | 2.30E-12e -190.00/T | 1.2161E-12 |\n| R176 | BZO2 + NO ----> 0.918\\*NO2 + 0.082\\*NTR2 + 0.918\\*GLY + 0.918\\*OPEN + 0.918\\*HO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| R177 | BZO2 + C2O3 ----> GLY + OPEN + HO2 + MEO2 + RO2 | R58 | 1.5924E-117| \n| R178 | BZO2 + HO2 ----> | 1.90E-13e 1300.00/T | 1.4872E-11 |\n| R179 | BZO2 + RO2 ----> GLY + OPEN + HO2 + RO2 | R70 | 3.4772E-137| \n| R180 | TOL + OH ----> 0.180\\*CRES + 0.650\\*TO2 + 0.720\\*RO2 + 0.100\\*OPEN + 0.100\\*OH + 0.070\\*XO2H + 0.180\\*HO2 + TOLRO2 | 1.80E-12e 340.00/T | 5.6302E-12 |\n| R181 | TO2 + NO ----> 0.860\\*NO2 + 0.140\\*NTR2 + 0.417\\*GLY + 0.443\\*MGLY + 0.660\\*OPEN + 0.200\\*XOPN + 0.860\\*HO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| R182 | TO2 + C2O3 ----> 0.480\\*GLY + 0.520\\*MGLY + 0.770\\*OPEN + 0.230\\*XOPN + HO2 + MEO2 + RO2 | R58 | 1.5924E-117| \n| R183 | TO2 + HO2 ----> | 1.90E-13e 1300.00/T | 1.4872E-11 |\n| R184 | TO2 + RO2 ----> 0.480\\*GLY + 0.520\\*MGLY + 0.770\\*OPEN + 0.230\\*XOPN + HO2 + RO2 | R70 | 3.4772E-137| \n| R185 | XYLMN + OH ----> 0.155\\*CRES + 0.544\\*XLO2 + 0.602\\*RO2 + 0.244\\*XOPN + 0.244\\*OH + 0.058\\*XO2H + 0.155\\*HO2 + XYLRO2 | 1.8500E-11 | 1.8500E-11 |\n| R185a | NAPH + OH ----> 0.155\\*CRES + 0.544\\*XLO2 + 0.602\\*RO2 + 0.244\\*XOPN + 0.244\\*OH + 0.058\\*XO2H + 0.155\\*HO2 + PAHRO2 | 1.8500E-11 | 1.8500E-11 |\n| R186 | XLO2 + NO ----> 0.860\\*NO2 + 0.140\\*NTR2 + 0.221\\*GLY + 0.675\\*MGLY + 0.300\\*OPEN + 0.560\\*XOPN + 0.860\\*HO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| R187 | XLO2 + HO2 ----> | 1.90E-13e 1300.00/T | 1.4872E-11 |\n| R188 | XLO2 + C2O3 ----> 0.260\\*GLY + 0.770\\*MGLY + 0.350\\*OPEN + 0.650\\*XOPN + HO2 + MEO2 + RO2 | R58 | 1.5924E-117| \n| R189 | XLO2 + RO2 ----> 0.260\\*GLY + 0.770\\*MGLY + 0.350\\*OPEN + 0.650\\*XOPN + HO2 + RO2 | R70 | 3.4772E-137| \n| R190 | CRES + OH ----> 0.025\\*GLY + 0.025\\*OPEN + HO2 + 0.200\\*CRO + 0.732\\*CAT1 + 0.020\\*XO2N + 0.020\\*RO2 | 1.70E-12e 950.00/T | 4.1138E-11 |\n| R191 | CRES + NO3 ----> 0.300\\*CRO + HNO3 + 0.480\\*XO2 + 0.120\\*XO2H + 0.240\\*GLY + 0.240\\*MGLY + 0.480\\*OPO3 + 0.100\\*XO2N + 0.700\\*RO2 | 1.4000E-11 | 1.4000E-11 |\n| R192 | CRO + NO2 ----> CRON | 2.1000E-12 | 2.1000E-12 |\n| R193 | CRO + HO2 ----> CRES | 5.5000E-12 | 5.5000E-12 |\n| R194 | CRON + OH ----> NTR2 + 0.500\\*CRO | 1.5300E-12 | 1.5300E-12 |\n| R195 | CRON + NO3 ----> NTR2 + 0.500\\*CRO + HNO3 | 3.8000E-12 | 3.8000E-12 |\n| R196 | CRON ----> HONO + HO2 + FORM + OPEN | NTR_IUPAC10 | Not Available1 | \n| R197 | XOPN ----> 0.400\\*GLY + XO2H + 0.700\\*HO2 + 0.700\\*CO + 0.300\\*C2O3 | 5.0000E-02\\*NO2_IUPAC10 | Not Available1 | \n| R198 | XOPN + OH ----> MGLY + 0.400\\*GLY + 2.000\\*XO2H + 2.000\\*RO2 | 9.0000E-11 | 9.0000E-11 |\n| R199 | XOPN + O3 ----> 1.200\\*MGLY + 0.500\\*OH + 0.600\\*C2O3 + 0.100\\*ALD2 + 0.500\\*CO + 0.300\\*XO2H + 0.300\\*RO2 | 1.08E-16e -500.00/T | 2.0189E-17 |\n| R200 | XOPN + NO3 ----> 0.500\\*NO2 + 0.500\\*NTR2 + 0.450\\*XO2H + 0.450\\*XO2 + 0.100\\*XO2N + RO2 + 0.250\\*OPEN + 0.250\\*MGLY | 3.0000E-12 | 3.0000E-12 |\n| R201 | OPEN ----> OPO3 + HO2 + CO | 2.8000E-02\\*NO2_IUPAC10 | Not Available1 | \n| R202 | OPEN + OH ----> 0.600\\*OPO3 + 0.400\\*XO2H + 0.400\\*RO2 + 0.400\\*GLY | 4.4000E-11 | 4.4000E-11 |\n| R203 | OPEN + O3 ----> 1.400\\*GLY + 0.240\\*MGLY + 0.500\\*OH + 0.120\\*C2O3 + 0.080\\*FORM + 0.020\\*ALD2 + 1.980\\*CO + 0.560\\*HO2 | 5.40E-17e -500.00/T | 1.0094E-17 |\n| R204 | OPEN + NO3 ----> OPO3 + HNO3 | 3.8000E-12 | 3.8000E-12 |\n| R205 | CAT1 + OH ----> 0.140\\*FORM + 0.200\\*HO2 + 0.500\\*CRO | 5.0000E-11 | 5.0000E-11 |\n| R206 | CAT1 + NO3 ----> CRO + HNO3 | 1.7000E-10 | 1.7000E-10 |\n| R207 | OPO3 + NO ----> NO2 + 0.500\\*GLY + 0.500\\*CO + 0.800\\*HO2 + 0.200\\*CXO3 | R61 | 2.0957E-117| \n| R208 | OPO3 + NO2 ----> OPAN | R62 | 8.2883E-127| \n| R209 | OPAN ----> OPO3 + NO2 | R63 | 3.7022E-047| \n| R210 | OPO3 + HO2 ----> 0.370\\*PACD + 0.130\\*AACD + 0.130\\*O3 + 0.500\\*OH + 0.500\\*MEO2 + 0.500\\*RO2 | R57 | 2.1967E-117| \n| R211 | OPO3 + C2O3 ----> MEO2 + XO2 + ALDX + 2.000\\*RO2 | R59 | 1.5514E-117| \n| R212 | OPO3 + RO2 ----> 0.800\\*XO2H + 0.800\\*ALDX + 1.800\\*RO2 + 0.200\\*AACD | R58 | 1.5924E-117| \n| R213 | OPAN + OH ----> 0.500\\*NO2 + 0.500\\*GLY + CO + 0.500\\*NTR2 | 3.6000E-11 | 3.6000E-11 |\n| R214 | PANX + OH ----> ALD2 + NO2 | 3.0000E-12 | 3.0000E-12 |\n| R216 | ECH4 + OH ----> MEO2 + RO2 | 1.85E-12e -1690.00/T | 6.3895E-15 |\n| R217 | XPRP ----> XO2N + RO2 | ko= 2.37E-21e 0.0/T(T/300) 0.00
ki = 4.07E-01e 0.0/T(T/300) -8.00
n= 1.00;F= 0.41 | 3.0828E-02 |\n| R218 | XPRP ----> 0.732\\*ACET + 0.268\\*ALDX + 0.268\\*PAR + XO2H + RO2 | 1.0000E+00 | 1.0000E+00 |\n| R219 | XPAR ----> XO2N + RO2 | ko= 4.81E-20e 0.0/T(T/300) 0.00
ki = 4.07E-01e 0.0/T(T/300) -8.00
n= 1.00;F= 0.41 | 1.4904E-01 |\n| R220 | XPAR ----> 0.126\\*ALDX + 0.874\\*ROR + 0.126\\*XO2H + 0.874\\*XO2 + RO2 - 0.126\\*PAR | 1.0000E+00 | 1.0000E+00 |\n| R221 | NO2 + OH + H2O ----> HNO3 | 1.1000E-30 | 1.1000E-30 |\n| CL1 | CL2 ----> 2.000\\*CL | CL2_IUPAC04 | Not Available1 | \n| CL2 | HOCL ----> OH + CL | HOCL_IUPAC04 | Not Available1 | \n| CL3 | CL + O3 ----> CLO | 2.30E-11e -200.00/T | 1.1760E-11 |\n| CL4 | CLO + CLO ----> 0.300\\*CL2 + 1.400\\*CL | 1.6300E-14 | 1.6300E-14 |\n| CL5 | CLO + NO ----> CL + NO2 | 6.40E-12e 290.00/T | 1.6928E-11 |\n| CL6 | CLO + HO2 ----> HOCL | 2.20E-12e 340.00/T | 6.8814E-12 |\n| CL7 | CLO + MEO2 ----> CL + FORM + HO2 | 3.20E-12e -110.00/T | 2.2127E-12 |\n| CL8 | OH + FMCL ----> CL + CO | 5.0000E-13 | 5.0000E-13 |\n| CL9 | FMCL ----> CL + CO + HO2 | FMCL_IUPAC04 | Not Available1 | \n| CL10 | CL + CH4 ----> HCL + MEO2 + RO2 | 6.60E-12e -1240.00/T | 1.0311E-13 |\n| CL11 | CL + PAR ----> HCL + XPAR | 5.0000E-11 | 5.0000E-11 |\n| CL12 | CL + PRPA ----> HCL + ACET + 0.970\\*XO2H + 0.030\\*XO2N + RO2 | 1.4000E-10 | 1.4000E-10 |\n| CL13 | CL + ETHA ----> HCL + 0.991\\*ALD2 + 0.991\\*XO2H + 0.009\\*XO2N + RO2 | 8.30E-11e -100.00/T | 5.9349E-11 |\n| CL14 | CL + ETH ----> FMCL + 2.000\\*XO2 + HO2 + FORM | 1.0700E-10 | 1.0700E-10 |\n| CL15 | CL + OLE ----> FMCL + 0.330\\*ALD2 + 0.670\\*ALDX + 2.000\\*XO2 + HO2 - PAR | 2.5000E-10 | 2.5000E-10 |\n| CL16 | CL + IOLE ----> 0.300\\*HCL + 0.700\\*FMCL + 0.450\\*ALD2 + 0.550\\*ALDX + 0.300\\*OLE + 0.300\\*PAR + 1.700\\*XO2 + HO2 | 3.5000E-10 | 3.5000E-10 |\n| CL17 | CL + ISOP ----> FMCL + ISPD + 0.960\\*XO2H + 0.040\\*XO2N + RO2 | 4.3000E-10 | 4.3000E-10 |\n| CL18 | CL + FORM ----> HCL + HO2 + CO | 8.20E-11e -34.00/T | 7.3162E-11 |\n| CL19 | CL + ALD2 ----> HCL + C2O3 | 7.9000E-11 | 7.9000E-11 |\n| CL20 | CL + ALDX ----> HCL + CXO3 | 1.3000E-10 | 1.3000E-10 |\n| CL21 | CL + MEOH ----> HCL + HO2 + FORM | 5.5000E-11 | 5.5000E-11 |\n| CL22 | CL + ETOH ----> HCL + HO2 + ALD2 | 8.20E-11e 45.00/T | 9.5359E-11 |\n| CL23 | HCL + OH ----> CL | 6.58E-13e 58.00/T(T/300) 1.16 | 7.9359E-13 |\n| CL24 | CL + TOL ----> HCL + 0.180\\*CRES + 0.650\\*TO2 + 0.720\\*RO2 + 0.100\\*OPEN + 0.100\\*OH + 0.070\\*XO2H + 0.180\\*HO2 + TOLRO2 | 6.1000E-11 | 6.1000E-11 |\n| CL25 | CL + XYLMN ----> HCL + 0.155\\*CRES + 0.544\\*XLO2 + 0.602\\*RO2 + 0.244\\*XOPN + 0.244\\*OH + 0.058\\*XO2H + 0.155\\*HO2 + XYLRO2 | 1.2000E-10 | 1.2000E-10 |\n| CL26 | CL + NAPH ----> HCL + 0.155\\*CRES + 0.544\\*XLO2 + 0.602\\*RO2 + 0.244\\*XOPN + 0.244\\*OH + 0.058\\*XO2H + 0.155\\*HO2 + PAHRO2 | 1.2000E-10 | 1.2000E-10 |\n| CL27 | CLNO2 ----> CL + NO2 | CLNO2_IUPAC13 | Not Available1 | \n| CL28 | CLO + NO2 ----> CLNO3 | ko= 1.80E-31e 0.0/T(T/300) -3.40
ki = 1.50E-11e 0.0/T(T/300) -1.90
n= 1.00;F= 0.60 | 2.3359E-12 |\n| CL30 | CLNO3 ----> CLO + NO2 | CLONO2_1 | Not Available1 | \n| CL31 | CLNO3 ----> CL + NO3 | CLONO2_2 | Not Available1 | \n| HET_CLNO3_WAI | CLNO3 ----> HOCL + HNO3 | HETERO_CLNO3_WAI | Not Available2 | \n| HET_CLNO3_WAJ | CLNO3 ----> HOCL + HNO3 | HETERO_CLNO3_WAJ | Not Available2 | \n| SA01 | TOLRO2 + NO ----> NO + 0.016\\*SVAVB2 + 0.051\\*SVAVB3 + 0.047\\*SVAVB4 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| SA02 | TOLRO2 + HO2 ----> HO2 + 0.140\\*SVAVB1 | 1.90E-13e 1300.00/T | 1.4872E-11 |\n| SA03 | XYLRO2 + NO ----> NO + 0.015\\*SVAVB2 + 0.023\\*SVAVB3 + 0.060\\*SVAVB4 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| SA04 | XYLRO2 + HO2 ----> HO2 + 0.193\\*SVAVB1 | 1.90E-13e 1300.00/T | 1.4872E-11 |\n| SA06 | BENZRO2 + NO ----> NO + 0.034\\*SVAVB2 + 0.392\\*SVAVB4 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| SA07 | BENZRO2 + HO2 ----> HO2 + 0.146\\*SVAVB1 | 1.90E-13e 1300.00/T | 1.4872E-11 |\n| SA08 | SESQ + O3 ----> O3 + SESQRXN | 1.1600E-14 | 1.1600E-14 |\n| SA09 | SESQ + OH ----> OH + SESQRXN | 1.9700E-10 | 1.9700E-10 |\n| SA10 | SESQ + NO3 ----> NO3 + SESQRXN | 1.9000E-11 | 1.9000E-11 |\n| SA11 | PAHRO2 + NO ----> NO + 0.028\\*SVAVB2 + 0.225\\*SVAVB3 + 0.191\\*SVAVB4 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| SA12 | PAHRO2 + HO2 ----> HO2 + 0.473\\*SVAVB1 | 1.90E-13e 1300.00/T | 1.4872E-11 |\n| SA13 | SOAALK + OH ----> OH + 0.006\\*SVAVB2 + 0.052\\*SVAVB3 + 0.081\\*SVAVB4 | 2.70E-12e 374.00/T | 9.4655E-12 |\n| HET_NTR2 | NTR2 ----> HNO3 | 1.4000E+00\\*HETERO_NTR2 | Not Available2 | \n| HET_N2O5IJ | N2O5 ----> HNO3 + H2NO3PIJ | HETERO_N2O5IJ | Not Available2 | \n| HET_N2O5K | N2O5 ----> HNO3 + H2NO3PK | HETERO_N2O5K | Not Available2 | \n| HET_H2NO3PIJA | H2NO3PIJ ----> HNO3 | HETERO_H2NO3PAIJ | Not Available2 | \n| HET_H2NO3PKA | H2NO3PK ----> HNO3 | HETERO_H2NO3PAK | Not Available2 | \n| HET_H2NO3PIB | H2NO3PIJ + ACLI ----> CLNO2 | HETERO_H2NO3PBIJ | Not Available2 | \n| HET_H2NO3PJB | H2NO3PIJ + ACLJ ----> CLNO2 | HETERO_H2NO3PBIJ | Not Available2 | \n| HET_H2NO3PKB | H2NO3PK + ACLK ----> CLNO2 | HETERO_H2NO3PBK | Not Available2 | \n| HET_N02 | NO2 ----> 0.500\\*HONO + 0.500\\*HNO3 | HETERO_NO2 | Not Available2 | \n| HET_IEPOX | EPOX ----> IEPOXP | HETERO_IEPOX | Not Available2 | \n| HET_IEPOXOS | IEPOXP + ASO4J ----> AISO3J | HETERO_IEPOXOS | Not Available2 | \n| HET_TETROL | IEPOXP ----> AISO3J | HETERO_TETROL | Not Available2 | \n| HET_GLY | GLY ----> AGLYJ | HETERO_GLY | Not Available2 | \n| HET_MGLY | MGLY ----> AGLYJ | HETERO_MGLY | Not Available2 | \n| BL18a | TERPNRO2 + NO ----> NO + 0.688\\*MTNO3 | 2.60E-12e 380.00/T | 9.3002E-12 |\n| BL18b | TERPNRO2 + HO2 ----> HO2 + MTNO3 | 2.65E-13e 1300.00/T | 2.0743E-11 |\n| BL18c | TERPNRO2 + NO3 ----> NO3 + 0.422\\*MTNO3 | 2.3000E-12 | 2.3000E-12 |\n| BL18d | TERPNRO2 + RO2 ----> RO2 + 0.711\\*MTNO3 | 3.5000E-14 | 3.5000E-14 |\n| CP07mtp | MTNO3 + CL ----> CL + 0.370\\*MTNO3 | 1.9200E-10 | 1.9200E-10 |\n| BP70mtp | MTNO3 + OH ----> OH + 0.240\\*MTNO3 | 7.2000E-12 | 7.2000E-12 |\n| BP71mtp | MTNO3 ----> | IC3ONO2 | Not Available1 | \n| HYD_MT | AMTNO3J ----> AMTHYDJ | 9.2590E-05 | 9.2590E-05 |\n| OLIG_AROMATIC1 | AAVB2J ----> 0.907\\*AOLGAJ | 9.4882E-06 | 9.4882E-06 |\n| OLIG_AROMATIC2 | AAVB3J ----> 0.925\\*AOLGAJ | 9.4882E-06 | 9.4882E-06 |\n| OLIG_AROMATIC3 | AAVB4J ----> 0.943\\*AOLGAJ | 9.4882E-06 | 9.4882E-06 |\n| OLIG_ISOPRENE1 | AISO1J ----> 0.500\\*AOLGBJ | 9.4882E-06 | 9.4882E-06 |\n| OLIG_ISOPRENE2 | AISO2J ----> 0.500\\*AOLGBJ | 9.4882E-06 | 9.4882E-06 |\n| OLIG_SESQT1 | ASQTJ ----> 1.500\\*AOLGBJ | 9.4882E-06 | 9.4882E-06 |\n| RPOAGEPI | APOCI + OH ----> 1.250\\*APNCOMI + APOCI + OH | 2.5000E-12 | 2.5000E-12 |\n| RPOAGELI | APNCOMI + OH ----> OH | HETERO_PNCOMLI | Not Available2 | \n| RPOAGEPJ | APOCJ + OH ----> 1.250\\*APNCOMJ + APOCJ + OH | 2.5000E-12 | 2.5000E-12 |\n| RPOAGELJ | APNCOMJ + OH ----> OH | HETERO_PNCOMLJ | Not Available2 | \n| PCSOA | PCVOC + OH ----> OH + PCSOARXN | 1.2500E-11 | 1.2500E-11 |\n| POA_AGE1 | VLVPO1 + OH ----> OH + 0.486\\*VLVPO1 + 0.006\\*VSVPO1 + 0.003\\*VSVPO2 + 0.003\\*VSVPO3 + 0.002\\*VIVPO1 + 0.294\\*VLVOO1 + 0.202\\*VLVOO2 + 0.002\\*VSVOO2 + 0.002\\*VSVOO3 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE2 | VSVPO1 + OH ----> OH + 0.300\\*VLVPO1 + 0.286\\*VSVPO1 + 0.004\\*VSVPO2 + 0.004\\*VSVPO3 + 0.224\\*VLVOO1 + 0.182\\*VLVOO2 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE3 | VSVPO2 + OH ----> OH + 0.386\\*VLVPO1 + 0.095\\*VSVPO1 + 0.137\\*VSVPO2 + 0.001\\*VSVPO3 + 0.205\\*VLVOO1 + 0.176\\*VLVOO2 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE4 | VSVPO3 + OH ----> OH + 0.218\\*VLVPO1 + 0.306\\*VSVPO1 + 0.015\\*VSVPO2 + 0.104\\*VSVPO3 + 0.189\\*VLVOO1 + 0.167\\*VLVOO2 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE5 | VIVPO1 + OH ----> OH + 0.241\\*VLVPO1 + 0.209\\*VSVPO1 + 0.300\\*VSVPO2 + 0.203\\*VLVOO1 + 0.047\\*VLVOO2 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE6 | VLVOO1 + OH ----> OH + 0.666\\*VLVOO1 + 0.014\\*VLVOO2 + 0.012\\*VSVOO1 + 0.124\\*VSVOO2 + 0.183\\*VSVOO3 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE7 | VLVOO2 + OH ----> OH + 0.286\\*VLVOO1 + 0.393\\*VLVOO2 + 0.014\\*VSVOO1 + 0.103\\*VSVOO2 + 0.204\\*VSVOO3 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE8 | VSVOO1 + OH ----> OH + 0.330\\*VLVOO1 + 0.227\\*VLVOO2 + 0.261\\*VSVOO1 + 0.070\\*VSVOO2 + 0.112\\*VSVOO3 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE9 | VSVOO2 + OH ----> OH + 0.344\\*VLVOO1 + 0.275\\*VLVOO2 + 0.049\\*VSVOO1 + 0.258\\*VSVOO2 + 0.074\\*VSVOO3 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE10 | VSVOO3 + OH ----> OH + 0.389\\*VLVOO1 + 0.242\\*VLVOO2 + 0.064\\*VSVOO1 + 0.038\\*VSVOO2 + 0.267\\*VSVOO3 | 4.0000E-11 | 4.0000E-11 |\n| T01 | FORM_PRIMARY + OH ----> OH | 5.40E-12e 135.00/T | 8.4926E-12 |\n| T02 | FORM_PRIMARY + NO3 ----> NO3 | 5.5000E-16 | 5.5000E-16 |\n| T03 | FORM_PRIMARY + O ----> O | 3.40E-11e -1600.00/T | 1.5881E-13 |\n| T04 | FORM_PRIMARY ----> | FORM_R_IUPAC13 | Not Available1 | \n| T05 | FORM_PRIMARY ----> | FORM_M_IUPAC13 | Not Available1 | \n| TCL1 | FORM_PRIMARY + CL ----> CL | 8.20E-11e -34.00/T | 7.3162E-11 |\n| T06 | ALD2_PRIMARY + OH ----> OH | 4.70E-12e 345.00/T | 1.4950E-11 |\n| T07 | ALD2_PRIMARY + NO3 ----> NO3 | 1.40E-12e -1860.00/T | 2.7340E-15 |\n| T08 | ALD2_PRIMARY + O ----> O | 1.80E-11e -1100.00/T | 4.4976E-13 |\n| T09 | ALD2_PRIMARY ----> | ALD2_R_IUPAC13 | Not Available1 | \n| TCL2 | ALD2_PRIMARY + CL ----> CL | 7.9000E-11 | 7.9000E-11 |\n| T10 | BUTADIENE13 + OH ----> OH + 0.580\\*ACROLEIN | 1.48E-11e 448.00/T | 6.6502E-11 |\n| T11 | BUTADIENE13 + O3 ----> O3 + 0.520\\*ACROLEIN | 1.34E-14e -2283.00/T | 6.3331E-18 |\n| T12 | BUTADIENE13 + NO3 ----> NO3 + 0.045\\*ACROLEIN | 1.7900E-13 | 1.7900E-13 |\n| TCL3 | BUTADIENE13 + CL ----> CL + 0.580\\*ACROLEIN | 2.5100E-10 | 2.5100E-10 |\n| T13 | ACRO_PRIMARY + OH ----> OH | 2.0000E-11 | 2.0000E-11 |\n| T14 | ACRO_PRIMARY + O3 ----> O3 | 2.6100E-19 | 2.6100E-19 |\n| T15 | ACRO_PRIMARY + NO3 ----> NO3 | 1.1500E-15 | 1.1500E-15 |\n| T16 | ACRO_PRIMARY ----> | ACRO_09 | Not Available1 | \n| TCL4 | ACRO_PRIMARY + CL ----> CL | 2.3700E-10 | 2.3700E-10 |\n| T17 | ACROLEIN + OH ----> OH | 2.0000E-11 | 2.0000E-11 |\n| T18 | ACROLEIN + O3 ----> O3 | 2.6100E-19 | 2.6100E-19 |\n| T19 | ACROLEIN + NO3 ----> NO3 | 1.1500E-15 | 1.1500E-15 |\n| T20 | ACROLEIN ----> | ACRO_09 | Not Available1 | \n| TCL5 | ACROLEIN + CL ----> CL | 2.3700E-10 | 2.3700E-10 |\n| T21 | TOLU + OH ----> OH | 1.80E-12e 340.00/T | 5.6302E-12 |\n| TCL6 | TOLU + CL ----> CL | 6.1000E-11 | 6.1000E-11 |\n| HG1 | HG + O3 ----> 0.500\\*HGIIAER + 0.500\\*HGIIGAS + O3 | 2.11E-18e -1256.50/T | 3.1191E-20 |\n| HG2 | HG + CL2 ----> HGIIGAS + CL2 | 2.6000E-18 | 2.6000E-18 |\n| HG3 | HG + H2O2 ----> HGIIGAS + H2O2 | 8.5000E-19 | 8.5000E-19 |\n| HG4 | HG + OH ----> 0.500\\*HGIIAER + 0.500\\*HGIIGAS + OH | 7.7000E-14 | 7.7000E-14 |\n| HG5 | HG + CL + M ----> 0.500\\*HG + 0.500\\*HGIIGAS + CL | 2.25E-33e 680.00/T | 2.2014E-32 |\n| BR01 | BR + O3 ----> BRO | 1.60E-11e -780.00/T | 1.1694E-12 |\n| BR02 | BRO + HO2 ----> HOBR | 4.50E-12e 460.00/T | 2.1051E-11 |\n| BR03 | BR + HO2 ----> HBR | 4.80E-12e -310.00/T | 1.6970E-12 |\n| BR04 | HBR + OH ----> BR | 6.70E-12e 155.00/T | 1.1268E-11 |\n| BR05 | BRO + BRO ----> 2.000\\*BR | 1.40E-12e 210.00/T | 2.8315E-12 |\n| BR06 | BRO + BRO ----> BR2 | 2.90E-14e 840.00/T | 4.8525E-13 |\n| BR07 | BRO + NO ----> BR + NO2 | 8.80E-12e 260.00/T | 2.1048E-11 |\n| BR08 | BR + BRNO3 ----> BR2 + NO3 | 4.90E-11e 0.00/T | 4.9000E-11 |\n| BR09 | BR2 + OH ----> HOBR + BR | 2.10E-11e 240.00/T | 4.6969E-11 |\n| BR10 | BRO + OH ----> BR + HO2 | 1.70E-11e 250.00/T | 3.9319E-11 |\n| BR11 | BR + NO3 ----> BRO + NO2 | 1.60E-11e 0.00/T | 1.6000E-11 |\n| BR12 | BRO + NO2 ----> BRNO3 | ko= 5.20E-31e 0.0/T(T/300) -3.20
ki = 6.90E-12e 0.0/T(T/300) -2.90
n= 1.00;F= 0.60 | 2.8366E-12 |\n| BR13 | BR + NO2 ----> BRNO2 | ko= 4.20E-31e 0.0/T(T/300) -2.40
ki = 2.70E-11e 0.0/T(T/300) 0.00
n= 1.00;F= 0.60 | 4.8803E-12 |\n| BR14 | BRO + CLO ----> BR + CL | 4.70E-12e 320.00/T | 1.3747E-11 |\n| BR15 | FORM + BR ----> HBR + HO2 + CO | 1.70E-11e -800.00/T | 1.1618E-12 |\n| BR16 | ALD2 + BR ----> HBR + C2O3 | 1.30E-11e -360.00/T | 3.8865E-12 |\n| BR17 | OLE + BR ----> FMBR + ALD2 + XO2H - PAR + RO2 | 3.6000E-12 | 3.6000E-12 |\n| BR18 | ISOP + BR ----> FMBR + ISPD + 0.960\\*XO2H + 0.040\\*XO2N + RO2 | 5.0000E-12 | 5.0000E-12 |\n| BR19 | FMBR + OH ----> BR + CO | 5.0000E-12 | 5.0000E-12 |\n| BR20 | BRO + MEO2 ----> 0.800\\*HOBR + 0.200\\*BR + FORM | 2.70E-14e 1600.00/T | 5.7806E-12 |\n| BR22 | MB3 + OH ----> 3.000\\*BR + CO | 1.00E-12e -388.00/T | 2.7216E-13 |\n| BR23 | MB2 + OH ----> 2.000\\*BR + HO2 + CO | 2.00E-12e -840.00/T | 1.1953E-13 |\n| BR24 | MB2C + OH ----> 2.000\\*BR + CL + CO | 9.00E-13e -420.00/T | 2.2002E-13 |\n| BR25 | MBC2 + OH ----> BR + 2.000\\*CL + CO | 9.40E-13e -510.00/T | 1.6992E-13 |\n| BR26 | MBC + OH ----> BR + CL + CO + HO2 | 2.10E-12e -880.00/T | 1.0974E-13 |\n| BR27 | DMS + BRO ----> 0.750\\*SO2 + 0.250\\*MSA + MEO2 + BR | 1.50E-14e 1000.00/T | 4.2926E-13 |\n| BR28 | BR2 ----> 2.000\\*BR | BR2_IUPAC10 | Not Available1 | \n| BR29 | HOBR ----> OH + BR | HOBR_IUPAC10 | Not Available1 | \n| BR30 | BRO ----> BR + O | BRO_IUPAC10 | Not Available1 | \n| BR31 | BRNO2 ----> BR + NO2 | BRNO2_IUPAC10 | Not Available1 | \n| BR32 | BRNO3 ----> BRO + NO2 | BRONO2_M_IUPAC10 | Not Available1 | \n| BR33 | BRNO3 ----> BR + NO3 | BRONO2_R_IUPAC10 | Not Available1 | \n| BR34 | BRCL ----> BR + CL | BRCL_IUPAC10 | Not Available1 | \n| BR35 | FMBR ----> BR + CO + HO2 | COHBR_JPL2010 | Not Available1 | \n| BR36 | MB3 ----> 3.000\\*BR + HO2 + CO | MB3_IUPAC10 | Not Available1 | \n| BR37 | MB2C ----> 2.000\\*BR + CL + HO2 + CO | MB2C_BLIDE98 | Not Available1 | \n| BR38 | MBC2 ----> BR + 2.000\\*CL + HO2 + CO | MBC2_BLIDE98 | Not Available1 | \n| HET_BRNO3_WAI | BRNO3 ----> HOBR + HNO3 | HETERO_BRNO3_WAI | Not Available2 | \n| HET_BRNO3_WAJ | BRNO3 ----> HOBR + HNO3 | HETERO_BRNO3_WAJ | Not Available2 | \n| HET_HOBR_CLJ | HOBR + ACLJ ----> BRCL | HETERO_HOBR_CLJ | Not Available2 | \n| HET_HOBR_BRJ | HOBR + ABRJ ----> BR2 | HETERO_HOBR_BRJ | Not Available2 | \n| HET_BRNO3_CLJ | BRNO3 + ACLJ ----> BRCL + HNO3 | HETERO_BRNO3_CLJ | Not Available2 | \n| HET_BRNO3_BRJ | BRNO3 + ABRJ ----> BR2 + HNO3 | HETERO_BRNO3_BRJ | Not Available2 | \n| HET_BRNO2_CLJ | BRNO2 + ACLJ ----> BRCL + HONO | HETERO_BRNO2_CLJ | Not Available2 | \n| HET_BRNO2_BRJ | BRNO2 + ABRJ ----> BR2 + HONO | HETERO_BRNO2_BRJ | Not Available2 | \n| HET_HBR_BRJ | HBR ----> ABRJ | HETERO_HBR_BRJ | Not Available2 | \n| IO01 | I + O3 ----> IO | 2.10E-11e -830.00/T | 1.2978E-12 |\n| IO02 | I + HO2 ----> HI | 1.50E-11e -1090.00/T | 3.8758E-13 |\n| IO03 | I2 + OH ----> HOI + I | 2.1000E-10 | 2.1000E-10 |\n| IO04 | HI + OH ----> I | 1.60E-11e 440.00/T | 6.9990E-11 |\n| IO05 | HOI + OH ----> IO | 5.0000E-12 | 5.0000E-12 |\n| IO06 | IO + HO2 ----> HOI | 1.40E-11e 540.00/T | 8.5646E-11 |\n| IO07 | IO + NO ----> I + NO2 | 7.15E-12e 300.00/T | 1.9557E-11 |\n| IO08 | INO + INO ----> I2 + 2.000\\*NO | 8.40E-11e -2620.00/T | 1.2821E-14 |\n| IO09 | INO2 + INO2 ----> I2 + 2.000\\*NO2 | 4.70E-13e -1670.00/T | 1.7359E-15 |\n| IO10 | I2 + NO3 ----> I + INO3 | 1.5000E-12 | 1.5000E-12 |\n| IO11 | INO3 + I ----> I2 + NO3 | 9.10E-11e -146.00/T | 5.5766E-11 |\n| IO12 | I + BRO ----> IO + BR | 1.2000E-11 | 1.2000E-11 |\n| IO13 | IO + BR ----> I + BRO | 2.7000E-11 | 2.7000E-11 |\n| IO14 | IO + BRO ----> BR + I | 1.50E-11e 510.00/T | 8.2980E-11 |\n| IO15 | IO + CLO ----> I + CL | 4.70E-12e 280.00/T | 1.2021E-11 |\n| IO16 | OIO + OIO ----> I2O4 | 1.50E-10e 0.00/T | 1.5000E-10 |\n| IO17 | OIO + NO ----> IO + NO2 | 1.10E-12e 542.00/T | 6.7746E-12 |\n| IO18 | IO + IO ----> 0.400\\*OIO + 0.400\\*I + 0.600\\*I2O2 | 5.40E-11e 180.00/T | 9.8761E-11 |\n| IO19 | IO + OIO ----> I2O3 | 1.50E-10e 0.00/T | 1.5000E-10 |\n| IO20 | I2O2 ----> OIO + I | 2.50E+14e -9770.00/T | 1.4678E+00 |\n| IO21 | I2O4 ----> 2.000\\*OIO | 3.80E-02e 0.00/T | 3.8000E-02 |\n| IO22 | INO2 ----> I + NO2 | 9.94E+17e-11859.00/T | 5.2869E+00 |\n| IO23 | INO3 ----> IO + NO2 | 2.10E+15e-13670.00/T | 2.5708E-05 |\n| IO24 | I + NO ----> INO | ko= 1.80E-32e 0.0/T(T/300) -1.00
ki = 1.70E-11e 0.0/T(T/300) 0.00
n= 1.00;F= 0.60 | 3.7544E-13 |\n| IO25 | I + NO2 ----> INO2 | ko= 3.00E-31e 0.0/T(T/300) -1.00
ki = 6.60E-11e 0.0/T(T/300) 0.00
n= 1.00;F= 0.63 | 5.2366E-12 |\n| IO26 | IO + NO2 ----> INO3 | ko= 7.70E-31e 0.0/T(T/300) -5.00
ki = 1.60E-11e 0.0/T(T/300) 0.00
n= 1.00;F= 0.40 | 3.5438E-12 |\n| IO27 | CH3I + OH ----> I + FORM | 4.30E-12e -1120.00/T | 1.0047E-13 |\n| IO28 | DMS + IO ----> 0.750\\*SO2 + 0.250\\*MSA + MEO2 + I | 3.30E-13e -925.00/T | 1.4830E-14 |\n| IO29 | I2 ----> 2.000\\*I | I2_IUPAC10 | Not Available1 | \n| IO30 | HOI ----> I + OH | HOI_IUPAC10 | Not Available1 | \n| IO31 | IO ----> I + O | IO_IUPAC10 | Not Available1 | \n| IO32 | OIO ----> I | OIO_06 | Not Available1 | \n| IO33 | INO ----> I + NO | INO_06 | Not Available1 | \n| IO34 | INO2 ----> I + NO2 | INO2_06 | Not Available1 | \n| IO35 | INO3 ----> I + NO3 | IONO2_06 | Not Available1 | \n| IO36 | I2O2 ----> I + OIO | IONO2_06 | Not Available1 | \n| IO37 | I2O3 ----> IO + OIO | IONO2_06 | Not Available1 | \n| IO38 | I2O4 ----> 2.000\\*OIO | IONO2_06 | Not Available1 | \n| IO39 | ICL ----> I + CL | ICL_IUPAC10 | Not Available1 | \n| IO40 | IBR ----> I + BR | IBR_IUPAC10 | Not Available1 | \n| IO41 | CH3I ----> I + MEO2 | CH3I_IUPAC10 | Not Available1 | \n| IO42 | MI2 ----> 2.000\\*I + FORM | MI2_IUPAC10 | Not Available1 | \n| IO43 | MIB ----> I + BR + FORM | MIB_IUPAC10 | Not Available1 | \n| IO44 | MIC ----> I + CL + FORM | MIC_IUPAC10 | Not Available1 | \n| IO45 | HOI + NO3 ----> IO + HNO3 | 2.70E-12(T/300) -2.66 | 2.7448E-12 |\n| IO46 | I2O2 ----> 2.000\\*IO | 1.00E+12e -9770.00/T | 5.8711E-03 |\n| HET_I2O2_AI | I2O2 ----> | HETERO_I2O2_AI | Not Available2 | \n| HET_I2O2_AJ | I2O2 ----> | HETERO_I2O2_AJ | Not Available2 | \n| HET_I2O3_AI | I2O3 ----> | HETERO_I2O3_AI | Not Available2 | \n| HET_I2O3_AJ | I2O3 ----> | HETERO_I2O3_AJ | Not Available2 | \n| HET_I2O4_AI | I2O4 ----> | HETERO_I2O4_AI | Not Available2 | \n| HET_I2O4_AJ | I2O4 ----> | HETERO_I2O4_AJ | Not Available2 | \n| HET_INO3_CLJ | INO3 + ACLJ ----> ICL + HNO3 | HETERO_INO3_CLJ | Not Available2 | \n| HET_INO3_BRJ | INO3 + ABRJ ----> IBR + HNO3 | HETERO_INO3_BRJ | Not Available2 | \n| HET_INO2_CLJ | INO2 + ACLJ ----> ICL + HONO | HETERO_INO2_CLJ | Not Available2 | \n| HET_INO2_BRJ | INO2 + ABRJ ----> IBR + HONO | HETERO_INO2_BRJ | Not Available2 | \n| HET_HOI_CLJ | HOI + ACLJ ----> ICL | HETERO_HOI_CLJ | Not Available2 | \n| HET_HOI_BRJ | HOI + ABRJ ----> IBR | HETERO_HOI_BRJ | Not Available2 | \n| DMS1 | DMS + OH ----> SO2 + MEO2 + FORM | 1.12E-11e -250.00/T | 4.8424E-12 |\n| DMS2 | DMS + OH ----> 0.750\\*SO2 + 0.250\\*MSA + MEO2 | ko= 1.99E-39e 5270.0/T(T/300) 0.00
ki = 1.26E-10e -340.0/T(T/300) 0.00
n= 1.00;F= 1.00 | 2.1985E-12 |\n| DMS3 | DMS + NO3 ----> SO2 + HNO3 + MEO2 + FORM | 1.90E-13e 520.00/T | 1.0869E-12 |\n| DMS4 | DMS + CL ----> 0.860\\*SO2 + MEO2 + 0.450\\*FORM + 0.450\\*HCL + 0.140\\*MSA + 0.550\\*CLO | 3.40E-13e 2081.00/T | 3.6537E-10 |\n| DMS5 | DMS + CLO ----> 0.750\\*SO2 + 0.250\\*MSA + MEO2 + CL | 1.70E-15e 340.00/T | 5.3174E-15 |\n\n0Units molecules/(sec*cm3); Value at 298.15 K; 2.4615E+19 molcules/cm3; 1.00 Atm. \n1Photolysis Reaction;depends on radiation and predicted concentrations \n2Heteorogeneous Reaction;Depends predicted concentrations \n7Rate constant multiple of constant for listed reaction \n" }, { "path": "CCTM/src/MECHS/mechanism_information/cracmm1_aq/cracmm1_aq_species_table.md", "content": "Gas (G) and particle (P) species from the namelists. SMILES link to representative structures in the EPA Chemicals Dashboard (if available).\n\nNote that for each particulate species in CMAQ, a letter will be appended to the name to designate the size, or mode, of the aerosol being represented: I = Aitken mode, J = Accumulation mode, K = Coarse mode. Prepending of a species with a V or A in CMAQ or the chemical mechanism files indicates the species resides in the gas or particulate phase. \n\n Species | Description | Phase | Molecular Weight (g/mol) | Explicit/ Lumped | Representative Structure | SMILES \n ----- | ----- | ----- | ----- | ----- | ----- | ----- \nAAL|Aluminum ion|P|27.0|E|Aluminum ion|[\\[Al+3\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID70912343)\nACA|Calcium ion|P|40.1|E|Calcium ion|[\\[Ca++\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID7037638)\nACD|Acetaldehyde |G|44.0|E|Acetaldehyde|[CC=O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID5039224)\nACE|Acetylene |G|26.0|E|Acetylene|[C#C](https://comptox.epa.gov/dashboard/chemical/details/DTXSID6026379)\nACL|Chloride ion|P|35.5|E|Chloride ion|[\\[Cl-\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID6043969)\nACO3|Acetyl peroxy radicals|G|75.0|E|Acetylperoxy|[CC\\(=O\\)O\\[O\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID40957943)\nACORS|Primary unspeciated coarse PM|P|100.0|L|Coarse PM|\nACRO|Acrolein|G|56.1|E|Acrolein|[C=CC=O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020023)\nACT|Acetone|G|58.0|E|Acetone|[CC\\(C\\)=O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021482)\nACTP|Peroxy radicals formed from ACT|G|89.0|E|(2-oxopropyl)peroxy|CC\\(=O\\)CO\\[O\\]\nADCN|Aromatic-NO3 adduct from PHEN|G|155.0|L|4-oxocyclohex-2-en-1-yl nitrate|OC1=C\\[C\\]C\\(O\\[N+\\]\\(\\[O-\\]\\)=O\\)C=C1\nADDC|Aromatic-HO adduct from CSL|G|125.0|L|3-methyl-5-oxocyclohex-3-en-1-yloxidanyl|CC1=CC\\(O\\)=CC\\(\\[O\\]\\)C1\nAEC|Elemental carbon|P|12.0|L|Carbon|\\[C\\]\nAFE|Iron ion|P|55.8|E|Iron ion|[\\[Fe++\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042672)\nAGLY|SOA from reactive uptake of glyoxal on particles|P|66.4|L|2-(4,5-dihydroxy-1,3-dioxolan-2-yl)-1,3-dioxolane-4,5-diol|OC2OC\\(C1OC\\(O\\)C\\(O\\)O1\\)OC2O\nAH2O|Water associated with particulate inorganic compounds|P|18.0|E|Water|[O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID6026296)\nAH3OP|Hydronium ion tracer|P|19.0|E|Hydronium ion|[\\[OH3+\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID20893597)\nAISO3NOS|Non-sulfated SOA from IEPOX uptake|P|136.2|L|2-methylbutane-1,2,3,4-tetrol|C\\(O\\)C\\(O\\)\\(C\\)C\\(O\\)CO\nAISO3OS|Organosulfate SOA from IEPOX uptake|P|216.2|L|(1,3,4-trihydroxy-2-methylbutan-2-yl)oxysulfonic acid|C\\(O\\)C\\(OS\\(O\\)\\(=O\\)\\(=O\\)\\)\\(C\\)C\\(O\\)CO\nAK|Potassium ion|P|39.1|E|Potassium ion|[\\[K+\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID9042671)\nALD|C3 and higher aldehydes|G|58.0|L|Propanal|[CCC=O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021658)\nAMG|Magnesium ion|P|24.3|E|Magnesium ion|\\[Mg++\\]\nAMN|Manganese ion|P|54.9|L|Manganese ions|[\\[Mn++\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID00167687)\nANA|Sodium ion|P|23.0|E|Sodium ion|[\\[Na+\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID8037671)\nANH4|Ammonium ion|P|18.0|E|Ammonium ion|[\\[NH4+\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID5043974)\nANO3|Nitrate ion|P|62.0|E|Nitrate ion|[\\[N+\\]\\(=O\\)\\(\\[O-\\]\\)\\[O-\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024217)\nAORGC|SOA from cloud processing of GLY and MGLY|P|177.0|L|2-(4,5-dihydroxy-1,3-dioxolan-2-yl)-1,3-dioxolane-4,5-diol|OC2OC\\(C1OC\\(O\\)C\\(O\\)O1\\)OC2O\nAORGH2O|Water associated with particulate organic compounds|P|18.0|E|Water|[O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID6026296)\nAOTHR|Primary unspeciated fine PM|P|200.0|L|Unspeciated PM|\nAPI|Alpha-pinenes and other cyclic terpenes with one double bond|G|136.4|L|alpha-pinene|[CC1=CCC2CC1C2\\(C\\)C](https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026501)\nAPINP1|Peroxy radicals from API+NO3 that do not undergo autoxidation|G|230.0|L|[2,6,6-trimethyl-3-(nitrooxy)bicyclo[3.1.1]heptan-2-yl]peroxy|\\[O\\]OC1\\(C\\)C\\(ON\\(=O\\)=O\\)CC2CC1C2\\(C\\)C\nAPINP2|Peroxy radicals from API+NO3 that undergo autoxidation|G|230.0|L|[2,6,6-trimethyl-3-(nitrooxy)bicyclo[3.1.1]heptan-2-yl]peroxy|\\[O\\]OC1\\(C\\)C\\(ON\\(=O\\)=O\\)CC2CC1C2\\(C\\)C\nAPIP1|Peroxy radicals from API+OH that do not undergo autoxidation|G|185.0|L|{3-hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-2-yl}peroxy|\\[O\\]OC1\\(C\\)C\\(O\\)CC2CC1C2\\(C\\)C\nAPIP2|Peroxy radicals from API+OH that undergo autoxidation|G|185.0|L|{3-hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-2-yl}peroxy|\\[O\\]OC1\\(C\\)C\\(O\\)CC2CC1C2\\(C\\)C\nAPNCOM|Primary non-carbon organic matter (legacy)|P|220.0|L|Non-carbon organic matter|\nAPOC|Primary organic carbon (legacy)|P|220.0|L|Organic carbon|\nASEACAT|Sea spray cations|P|23.75|L|Coarse sea spray cations|\nASI|Silicon|P|28.1|E|Total Silicon|[\\[Si\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID0051441)\nASO4|Total sulfur IV as sulfate|P|96.0|L|Sulfate ion|[\\[O-\\]S\\(=O\\)\\(=O\\)\\[O-\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042425)\nASOAT|An empirical SOA|P|200.0|L|3,4,5,6,7-Pentahydroxyheptan-2-one|[CC\\(=O\\)C\\(C\\(C\\(C\\(CO\\)O\\)O\\)O\\)O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID80956455)\nASOIL|Lumped crustal species|P|100.0|L|Crustal species|\nATI|Titanium|P|47.9|E|Total Titanium|[\\[Ti\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047764)\nBAL1|Peroxy radicals formed from BALD |G|123.0|L|(4-methylphenyl)peroxy|\\[O\\]OC1=CC=C\\(C\\)C=C1\nBAL2|Peroxy radicals formed from BALD |G|109.0|L|phenylperoxy|\\[O\\]OC1=CC=CC=C1\nBALD|Benzaldehyde and other aromatic aldehydes|G|106.0|L|Benzaldehyde|[O=CC1=CC=CC=C1](https://comptox.epa.gov/dashboard/chemical/details/DTXSID8039241)\nBALP|Peroxy radicals formed from BALD |G|137.0|L|benzoylperoxy|O=C\\(O\\[O\\]\\)C1=CC=CC=C1\nBDE13|1,3-butadiene|G|54.1|E|1,3-Butadiene|[C=CC=C](https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020203)\nBDE13P|Peroxy radicals from BDE13|G|103.0|L|(1-hydroxybut-3-en-2-yl)peroxy|C=CC\\(O\\[O\\]\\)CO\nBEN|Benzene|G|78.11|E|Benzene|[C1=CC=CC=C1](https://comptox.epa.gov/dashboard/chemical/details/DTXSID3039242)\nBENP|Peroxy radicals formed from benzene|G|159.12|L|{8-hydroxy-6,7-dioxabicyclo[3.2.1]oct-3-en-2-yl}peroxy|\\[O\\]OC1C=CC2OOC1C2O\nCHO|Phenoxy radical formed from CSL|G|139.0|L|4-hydroxy-3,5-dimethylcyclohexa-2,5-dien-1-yloxidanyl|\\[O\\]C1C=C\\(C\\)C\\(O\\)C\\(=C1\\)C\nCO|Carbon monoxide|G|28.0|E|Carbon monoxide|[\\[C-\\]#\\[O+\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027273)\nCSL|Cresol and other hydroxy substituted aromatics |G|136.2|L|2-Phenylpropan-2-ol|[CC\\(C\\)\\(O\\)C1=CC=CC=C1](https://comptox.epa.gov/dashboard/chemical/details/DTXSID3027247)\nDCB1|Unsaturated dicarbonyls|G|98.0|L|2-methylbut-2-enedial|O=CC=C\\(C\\)C=O\nDCB2|Unsaturated dicarbonyls|G|112.1|L|2-methyl-4-oxopent-2-enal|O=CC\\(=CC\\(=O\\)C\\)C\nDCB3|Unsaturated dicarbonyls|G|84.0|L|but-2-enedial|O=CC=CC=O\nELHOM|Extremely-low volatility highly oxygenated molecules from terpenes|GP|402.0|L|6-hydroperoxy-7-({3-hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-2-yl}peroxy)-3,3,6-trimethyl-tetrahydro-3aH-1,2-benzodioxol-5-ol|OC1CC2C\\(OOC2\\(C\\)C\\)C\\(OOC3\\(C\\)C4C\\(C\\)\\(C\\)C\\(C4\\)CC3O\\)C1\\(C\\)OO\nEOH|Ethanol|G|46.1|E|Ethanol|[CCO](https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020584)\nETE|ethene |G|28.1|E|Ethylene|[C=C](https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026378)\nETEG|Ethylene glycol|G|62.1|E|Ethylene glycol|[OCCO](https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020597)\nETEP|Peroxy radicals formed from ETE|G|77.0|E|(2-hydroxyethyl)peroxy|OCCO\\[O\\]\nETH|ethane |G|30.1|E|Ethane|[CC](https://comptox.epa.gov/dashboard/chemical/details/DTXSID6026377)\nETHP|Peroxy radicals formed from ethane and other species |G|61.0|L|Ethylperoxy|[CCO\\[O\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID90953652)\nFURAN|Furans and other dienes|G|96.1|L|Furfural|[O=CC1=CC=CO1](https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020647)\nFURANO2|Peroxy radicals from FURAN oxidation|G|145.1|L|(2-formyl-5-hydroxy-5H-furan-2-yl)peroxy|OC1C=CC\\(O1\\)\\(O\\[O\\]\\)\\(C=O\\)\nFURANONE|Ring-retaining ketone product from FURAN oxidation|G|100.1|L|2-hydroxy-2H-furan-5-one|[C1=CC\\(=O\\)OC1O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID10930763)\nGLY|Glyoxal and glycoaldehydes |G|58.0|L|Glyoxal|[O=CC=O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID5025364)\nH2O2|Hydrogen peroxide|G|34.0|E|Hydrogen peroxide|[OO](https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020715)\nHC10|Alkanes and other species with HO rate constant greater than 6.8x10-12 cm3 s-1|G|142.28|L|Decane|[CCCCCCCCCC](https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024913)\nHC10P|Peroxy radicals formed from HC10 |G|173.27|L|Decan-3-ylperoxy|CCCCCCCC\\(CC\\)O\\[O\\]\nHC10P2|Hydroxy peroxy radicals from HC10P alkoxy product|G|189.27|L|(8-hydroxydecan-5-yl)peroxy|CCCCC\\(O\\[O\\]\\)CCC\\(O\\)CC\nHC3|Alkanes and other species with HO rate constant less than 3.4x10-12 cm3 s-1 |G|44.1|L|Propane|[CCC](https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026386)\nHC3P|Peroxy radicals formed from HC3|G|75.0|L|Isopropyl peroxy|CC\\(C\\)O\\[O\\]\nHC5|Alkanes and other species with HO rate constant between 3.4x10-12 and 6.8x10-12 cm3 s-1 |G|72.1|L|Pentane|[CCCCC](https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025846)\nHC5P|Peroxy radicals formed from HC5|G|103.0|L|Pentan-3-ylperoxy|CCC\\(O\\[O\\]\\)CC\nHCHO|Formaldehyde |G|30.0|E|Formaldehyde|[C=O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020637)\nHCL|Hydrochloric acid|G|36.0|E|Hydrochloric acid|[Cl](https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020711)\nHKET|Hydroxy ketone |G|74.0|L|Hydroxy acetone|[CC\\(=O\\)CO](https://comptox.epa.gov/dashboard/chemical/details/DTXSID8051590)\nHNO3|Nitric acid|G|63.0|E|Nitric acid|[\\[N+\\]\\(=O\\)\\(O\\)\\[O-\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID5029685)\nHNO4|Pernitric acid |G|79.0|E|Hydroxy nitrate|[\\[N+\\]\\(=O\\)\\(\\[O-\\]\\)OO](https://comptox.epa.gov/dashboard/chemical/details/DTXSID201030501)\nHO|Hydroxy radical|G|17.0|E|Hydroxyl radical|\\[OH\\]\nHO2|Hydroperoxy radical|G|33.0|E|Hydroperoxy|[O\\[O-\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID30894777)\nHOM|Highly oxygenated molecules from terpenes|GP|250.0|L|6,7-dihydroperoxy-3,3,6-trimethyl-tetrahydro-3aH-1,2-benzodioxol-5-ol|OC1CC2C\\(OOC2\\(C\\)C\\)C\\(OO\\)C1\\(C\\)OO\nHONO|Nitrous acid |G|47.0|E|Nitrous acid|[N\\(=O\\)O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID7064813)\nIEPOX|isoprene epoxydiols |G|118.1|E|Isoprene epoxydiol|OCC1OC1\\(C\\)CO\nIEPOXP|IEPOX intermediate (tracking species)|G|118.1||NA|\nISHP|Beta-hydroxy hydroperoxides from ISOP+HO2|G|118.0|L|2-hydroperoxy-2-methylbut-3-en-1-ol|C=CC\\(OO\\)\\(CO\\)C\nISO|Isoprene |G|68.1|E|Isoprene|[CC\\(=C\\)C=C](https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020761)\nISON|Beta-hydroxyalkylnitrates from ISOP+NO alkylnitrates from ISO+NO3|G|147.0|L|2-methyl-2-(nitrooxy)but-3-en-1-ol|OCC\\(C\\)\\(C=C\\)ON\\(=O\\)=O\nISOP|Peroxy radicals formed from ISO+HO |G|117.0|L|(1-hydroxy-3-methylbut-3-en-2-yl)peroxy|OCC\\(O\\[O\\]\\)C\\(C\\)=C\nKET|ketones|G|86.0|L|Diethylketone|[CCC\\(=O\\)CC](https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021820)\nKETP|Peroxy radicals formed from KET|G|117.0|L|(3-oxopentan-2-yl)peroxy|CCC\\(C\\(C\\)O\\[O\\]\\)=O\nLIM|d-limonene and other cyclic diene-terpenes |G|136.3|L|D-Limonene|[CC\\(=C\\)\\[C@@H\\]1CCC\\(C\\)=CC1](https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020778)\nLIMAL|Limonene aldehyde and similar LIM-derived aldehydes|G|168.0|L|Limonaldehyde|O=CCC\\(CCC\\(=O\\)C\\)C\\(=C\\)C\nLIMALP|Peroxy radicals from LIMAL|G|217.0|L|[1-hydroxy-2-methyl-5-oxo-3-(3-oxobutyl)pentan-2-yl]peroxy|O=CCC\\(CCC\\(=O\\)C\\)C\\(C\\)\\(CO\\)O\\[O\\]\nLIMNP1|Peroxy radicals from LIM+NO3 that do not undergo autoxidation|G|230.0|L|[1-methyl-2-(nitrooxy)-4-(prop-1-en-2-yl)cyclohexyl]peroxy|\\[O-\\]\\[N+\\]\\(=O\\)OC1CC\\(CCC1\\(C\\)O\\[O\\]\\)C\\(=C\\)C\nLIMNP2|Peroxy radicals from LIM+NO3 that undergo autoxidation|G|230.0|L|[1-methyl-2-(nitrooxy)-4-(prop-1-en-2-yl)cyclohexyl]peroxy|\\[O-\\]\\[N+\\]\\(=O\\)OC1CC\\(CCC1\\(C\\)O\\[O\\]\\)C\\(=C\\)C\nLIMP1|Peroxy radicals from LIM+OH that do not undergo autoxidation|G|185.0|L|[2-hydroxy-1-methyl-4-(prop-1-en-2-yl)cyclohexyl]peroxy|\\[O\\]OC1\\(C\\)CCC\\(CC1O\\)C\\(=C\\)C\nLIMP2|Peroxy radicals from LIM+OH that undergo autoxidation|G|185.0|L|[2-hydroxy-1-methyl-4-(prop-1-en-2-yl)cyclohexyl]peroxy|\\[O\\]OC1\\(C\\)CCC\\(CC1O\\)C\\(=C\\)C\nMACP|Peroxy radicals formed from MACR+HO|G|101.0|L|(2-methylprop-2-enoyl)peroxy|CC\\(=C\\)C\\(=O\\)O\\[O\\]\nMACR|methacrolein and other C4 aldehydes |G|70.0|L|Methacrolein|[CC\\(=C\\)C=O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID0052540)\nMAHP|Hydroperoxides from MACP+HO2 |G|102.0|L|2-methylprop-2-eneperoxoic acid|C=C\\(C\\)C\\(OO\\)=O\nMCP|Peroxy radical formed from MACR + HO which does not form MPAN|G|119.0|L|(1-hydroxy-2-methyl-3-oxopropan-2-yl)peroxy|OCC\\(C\\)\\(O\\[O\\]\\)C=O\nMCT|Methyl catechol|G|124.1|L|4-Methylcatechol|[CC1=CC\\(O\\)=C\\(O\\)C=C1](https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020861)\nMCTO|Alkoxy radical formed from MCT+HO and MCT+NO3|G|123.0|L|3-hydroxy-5-methylphenyloxidanyl|CC1=CC\\(O\\)=CC\\(\\[O\\]\\)=C1\nMCTP|Radical formed fro MCT+O3 reaction |G|172.0|L|C7H8O5 Biradical|CC\\(/C=C\\\\[C\\]\\(O\\[O\\]\\)O\\)=C/C\\(O\\)=O\nMEK|Methyl ethyl ketone|G|72.1|E|Methyl ethyl ketone|[CCC\\(C\\)=O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021516)\nMEKP|Peroxy radicals formed from MEK|G|103.0|L|(3-oxobutyl)peroxy|\\[O\\]OCCC\\(=O\\)C\nMGLY|Methylglyoxal and other alpha-carbonyl aldehydes |G|72.0|L|Methyl glyoxal|[CC\\(=O\\)C=O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021628)\nMO2|Methyl peroxy radical|G|47.0|E|Methylperoxy|[CO\\[O\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID10944007)\nMOH|Methanol |G|32.0|E|Methanol|[CO](https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021731)\nMPAN|Peroxymethacryloylnitrate and other higher peroxyacylnitrates from isoprene oxidation|G|147.1|L|Peroxymethacryloyl nitrate|[O=N\\(=O\\)OOC\\(=O\\)C\\(=C\\)C](https://comptox.epa.gov/dashboard/chemical/details/DTXSID10236878)\nMVK|Methyl vinyl ketone|G|70.1|E|Methyl vinyl ketone|[CC\\(=O\\)C=C](https://comptox.epa.gov/dashboard/chemical/details/DTXSID3025671)\nMVKP|Peroxy radicals formed from MVK|G|119.0|L|(2-hydroxy-3-oxobutyl)peroxy|CC\\(=O\\)C\\(O\\)CO\\[O\\]\nN2O5|Dinitrogen pentoxide |G|108.0|E|Dinitrogen pentoxide|[\\[N+\\]\\(=O\\)\\(\\[O-\\]\\)O\\[N+\\]\\(=O\\)\\[O-\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID90143672)\nNALD|Nitrooxyacetaldehyde |G|105.0|E|1-(nitrooxy)acetaldehyde|O=CCON\\(=O\\)=O\nNAPH|Naphthalene and other PAHs|G|128.17|L|Naphthalene|[C1=CC2=CC=CC=C2C=C1](https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020913)\nNAPHP|Peroxy radicals from NAPH oxidation|G|209.17|L|{8-hydroxy-10,11-dioxatricyclo[7.2.1.0^{2,7}]dodeca-2,4,6-trien-12-yl}peroxy|C12=CC=CC=C1C3OOC\\(C3O\\[O\\]\\)C2\\(O\\)\nNH3|Ammonia|G|17.0|E|Ammonia|[N](https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023872)\nNO|Nitric oxide |G|30.0|E|Nitric oxide|[\\[N\\]=O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020938)\nNO2|Nitrogen dioxide |G|46.0|E|Nitrogen dioxide|[N\\(=O\\)\\[O\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020974)\nNO3|Nitrogen trioxide|G|62.0|E|Nitrate radical|\\[O\\]N\\(=O\\)=O\nNUM|Number of particles|P|1.0|L|Number of particles|\nO1D|Excited state oxygen atom, O(1D) |G|16.0|E|Excited oxygen|[\\[O\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID00170378)\nO3|Ozone|G|48.0|E|Ozone|[\\[O-\\]\\[O+\\]=O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021098)\nO3P|Ground state oxygen atom, O(3P)|G|16.0|E|Ground state oxygen|[\\[O\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID00170378)\nOLI|Internal alkenes |G|70.1|L|2-Methyl-2-butene|[CC=C\\(C\\)C](https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027165)\nOLIP|Peroxy radicals formed from OLI|G|119.0|L|(3-hydroxy-2-methylbutan-2-yl)peroxy|\\[O\\]OC\\(C\\)\\(C\\)C\\(C\\)O\nOLND|NO3-alkene adduct reacting via decomposition |G|136.0|L|[1-(nitrooxy)propan-2-yl]peroxy|CC\\(O\\[O\\]\\)CO\\[N+\\]\\(\\[O-\\]\\)=O\nOLNN|NO3-alkene adduct reacting to form carbonitrates + HO2 |G|136.0|L|[1-(nitrooxy)propan-2-yl]peroxy|CC\\(O\\[O\\]\\)CO\\[N+\\]\\(\\[O-\\]\\)=O\nOLT|Terminal alkenes |G|42.0|L|1-Propene|[CC=C](https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021205)\nOLTP|Peroxy radicals formed from OLT|G|91.0|L|(1-hydroxypropan-2-yl)peroxy|CC\\(CO\\)O\\[O\\]\nONIT|Organic nitrates|G|119.0|L|Butan-2-yl nitrate|[CCC\\(C\\)O\\[N+\\]\\(=O\\)\\[O-\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID00871813)\nOP1|Methyl hydrogen peroxide |G|48.0|E|Methyl hydroperoxide|[COO](https://comptox.epa.gov/dashboard/chemical/details/DTXSID10184401)\nOP2|Higher organic peroxides |G|62.0|L|Ethyl hydroperoxide|[CCOO](https://comptox.epa.gov/dashboard/chemical/details/DTXSID70184402)\nOP3|Semivolatile organic peroxide|GP|176.2|L|5-hydroperoxy-6-hydroxyoctan-3-one|CCC\\(=O\\)CC\\(OO\\)C\\(O\\)CC\nOPB|Terpene-derived peroxides|G|186.2|L|2-hydroperoxy-2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol|OOC1\\(C\\)C\\(O\\)CC2CC1C2\\(C\\)C\nORA1|Formic acid|G|46.0|E|Formic acid|[OC=O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024115)\nORA2|Acetic acid and higher acids |G|60.2|L|Acetic acid|[CC\\(O\\)=O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024394)\nORAP|Peroxy radical formed from ORA2 + HO reaction|G|91.0|L|(carboxymethyl)peroxy|\\[O\\]OCC\\(=O\\)O\nPAA|Peroxyacetic acids and higher analogs|G|76.0|L|Peroxyacetic acid|[CC\\(=O\\)OO](https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025853)\nPAN|Peroxyacetyl nitrate and higher saturated PANs |G|121.0|L|Peroxyacetyl nitrate|[CC\\(=O\\)OON\\(=O\\)=O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID4062301)\nPHEN|phenol and benzene diols|G|110.1|L|Resorcinol|[OC1=CC\\(O\\)=CC=C1](https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021238)\nPINAL|Pinonaldehyde and similar APIN-derived aldehydes|G|168.0|L|Pinonaldehyde|O=CCC1CC\\(C\\(=O\\)C\\)C1\\(C\\)C\nPINALP|Peroxy radicals from PINAL oxidation|G|199.0|L|[3-acetyl-2,2-dimethyl-1-(2-oxoethyl)cyclobutyl]peroxy|O=CCC1\\(O\\[O\\]\\)CC\\(C\\(=O\\)C\\)C1\\(C\\)C\nPPN|Peroxypropionyl nitrate|G|135.0|E|Peroxypopionyl nitrate|[CCC\\(=O\\)OO\\[N+\\]\\(=O\\)\\[O-\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID90206675)\nPROG|Propylene glyocol and other 3 carbon dialcohols|G|76.1|E|1,2-Propylene glycol|[CC\\(O\\)CO](https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021206)\nRCO3|Higher saturated acyl peroxy radicals|G|89.0|L|Propanoylperoxy|CCC\\(=O\\)O\\[O\\]\nROCIOXY|Intermediate volatility oxygenated ROC species (directly emitted)|G|247.0|L|Decamethylcyclopentasiloxane|[C\\[Si\\]1\\(C\\)O\\[Si\\]\\(C\\)\\(C\\)O\\[Si\\]\\(C\\)\\(C\\)O\\[Si\\]\\(C\\)\\(C\\)O\\[Si\\]\\(C\\)\\(C\\)O1](https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027184)\nROCN1ALK|Alkane-like ROC species with C* of 10-1 μg m-3|GP|408.8|L|5,9-Dimethylheptacosane|[CCCCCCCCCCCCCCCCCCC\\(C\\)CCCC\\(C\\)CCCC](https://comptox.epa.gov/dashboard/chemical/details/DTXSID40823452)\nROCN1OXY1|Oxygenated ROC species with C* of 10-1 μg m-3 and O:C of 0.1|GP|312.5|L|Arachidic Acid|[CCCCCCCCCCCCCCCCCCCC\\(=O\\)O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID1060134)\nROCN1OXY3|Oxygenated ROC species with C* of 10-1 μg m-3 and O:C of 0.3|GP|230.3|L|DODECANEDIOIC ACID|[C\\(CCCCCC\\(=O\\)O\\)CCCCC\\(=O\\)O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID3027297)\nROCN1OXY6|Oxygenated ROC species with C* of 10-1 μg m-3 and O:C of 0.6|GP|190.2|L|2-hydroxy-octanedioic acid|C\\(CCC\\(C\\(=O\\)O\\)O\\)CCC\\(=O\\)O\nROCN2ALK|Alkane-like ROC species with C* of 10-2 μg m-3|GP|422.83|L|Triacontane|[CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC](https://comptox.epa.gov/dashboard/chemical/details/DTXSID0060935)\nROCN2OXY2|Oxygenated ROC species with C* of 10-1 μg m-3 and O:C of 0.2|GP|282.4|L|12(S)-hydroxy-16-Heptadecynoic Acid|C#CCCC\\[C@H\\]\\(CCCCCCCCCCC\\(=O\\)O\\)O\nROCN2OXY4|Oxygenated ROC species with C* of 10-2 μg m-3 and O:C of 0.4|GP|232.3|L|2-HYDROXYUNDECANEDIOIC ACID|[C\\(CCCCC\\(=O\\)O\\)CCCC\\(C\\(=O\\)O\\)O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID90726525)\nROCN2OXY8|Oxygenated ROC species with C* of 10-2 μg m-3 and O:C of 0.8|GP|194.2|L|3,4,5,6,7-Pentahydroxyheptan-2-one|[CC\\(=O\\)C\\(C\\(C\\(C\\(CO\\)O\\)O\\)O\\)O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID80956455)\nROCP0ALK|Alkane-like ROC species with C* of 1 μg m-3|GP|394.77|L|11-Methylheptacosane|[CCCCCCCCCCCCCCCCC\\(C\\)CCCCCCCCCC](https://comptox.epa.gov/dashboard/chemical/details/DTXSID40333900)\nROCP0OXY2|Oxygenated ROC species with C* of 1 μg m-3 and O:C of 0.2|GP|242.4|L|3-oxotetradecanoic acid|[CCCCCCCCCCCC\\(=O\\)CC\\(=O\\)O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID10332384)\nROCP0OXY4|Oxygenated ROC species with C* of 1 μg m-3 and O:C of 0.4|GP|202.3|L|DECANEDIOIC ACID|[C\\(CCCCC\\(=O\\)O\\)CCCC\\(=O\\)O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026867)\nROCP1ALK|Alkane-like ROC species with C* of 10 μg m-3|GP|380.75|L|Heptacosane|[CCCCCCCCCCCCCCCCCCCCCCCCCCC](https://comptox.epa.gov/dashboard/chemical/details/DTXSID6058637)\nROCP1ALKP|Peroxy radicals from ROCP1ALK oxidation|G|411.74|L|heptacosan-3-ylperoxy|CCCCCCCCCCCCCCCCCCCCCCCCC\\(CC\\)O\\[O\\]\nROCP1ALKP2|Hydroxy peroxy radicals from ROCP1ALK alkoxy product|G|427.73|L|(3-hydroxyheptacosan-6-yl)peroxy|CCCCCCCCCCCCCCCCCCCCCC\\(O\\[O\\]\\)CCC\\(O\\)CC\nROCP1OXY1|Oxygenated ROC species with C* of 10 μg m-3 and O:C of 0.1|GP|270.5|L|HEPTADECANOIC ACID|[CCCCCCCCCCCCCCCCC\\(=O\\)O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021596)\nROCP1OXY3|Oxygenated ROC species with C* of 10 μg m-3 and O:C of 0.3|GP|202.3|L|11-hydroxyundecanoic acid|[C\\(CCCCCO\\)CCCCC\\(=O\\)O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID40190136)\nROCP2ALK|Alkane-like ROC species with C* of 10+2 μg m-3|GP|338.66|L|Tetracosane|[CCCCCCCCCCCCCCCCCCCCCCCC](https://comptox.epa.gov/dashboard/chemical/details/DTXSID8060955)\nROCP2ALKP|Peroxy radicals from ROCP2ALK oxidation|G|369.65|L|tetracosan-3-ylperoxy|CCCCCCCCCCCCCCCCCCCCCC\\(CC\\)O\\[O\\]\nROCP2ALKP2|Hydroxy peroxy radicals from ROCP2ALK alkoxy product|G|385.65|L|(3-hydroxytetracosan-6-yl)peroxy|CCCCCCCCCCCCCCCCCCC\\(O\\[O\\]\\)CCC\\(O\\)CC\nROCP2OXY2|Oxygenated ROC species with C* of 10+2 μg m-3 and O:C of 0.2|GP|200.3|L|Dodecanoic Acid|[CCCCCCCCCCCC\\(=O\\)O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021590)\nROCP3ALK|Alkane-like ROC species with C* of 10+3 μg m-3|GP|296.58|L|Heneicosane|[CCCCCCCCCCCCCCCCCCCCC](https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047097)\nROCP3ALKP|Peroxy radicals from ROCP3ALK oxidation|G|327.57|L|henicosan-3-ylperoxy|CCCCCCCCCCCCCCCCCCC\\(CC\\)O\\[O\\]\nROCP3ALKP2|Hydroxy peroxy radicals from ROCP3ALK alkoxy product|G|343.57|L|(3-hydroxyhenicosan-6-yl)peroxy|CCCCCCCCCCCCCCCC\\(O\\[O\\]\\)CCC\\(O\\)CC\nROCP3OXY2|Oxygenated ROC species with C* of 10+3 μg m-3 and O:C of 0.2|GP|186.3|L|11-hydroxyundecanal|C\\(CCCCCO\\)CCCCC=O\nROCP4ALK|Alkane-like ROC species with C* of 10+4 μg m-3|G|254.5|L|Octadecane|[CCCCCCCCCCCCCCCCCC](https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047172)\nROCP4ALKP|Peroxy radicals from ROCP4ALK oxidation|G|285.49|L|octadecan-3-ylperoxy|CCCCCCCCCCCCCCCC\\(CC\\)O\\[O\\]\nROCP4ALKP2|Hydroxy peroxy radicals from ROCP4ALK alkoxy product|G|301.49|L|(3-hydroxyoctadecan-6-yl)peroxy|CCCCCCCCCCCCC\\(O\\[O\\]\\)CCC\\(O\\)CC\nROCP4OXY2|Oxygenated ROC species with C* of 10+4 μg m-3 and O:C of 0.2|G|158.2|L|2-Ethylheptanoic Acid|[CCCCCC\\(CC\\)C\\(=O\\)O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID40880929)\nROCP5ALK|Alkane-like ROC species with C* of 10+5 μg m-3|G|198.39|L|Tetradecane|[CCCCCCCCCCCCCC](https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027267)\nROCP5ALKP|Peroxy radicals from ROCP5ALK oxidation|G|229.38|L|tetradecan-3-ylperoxy|CCCCCCCCCCCC\\(CC\\)O\\[O\\]\nROCP5ALKP2|Hydroxy peroxy radicals from ROCP5ALK alkoxy product|G|245.38|L|(3-hydroxytetradecan-6-yl)peroxy|CCCCCCCCC\\(O\\[O\\]\\)CCC\\(O\\)CC\nROCP5ARO|Aromatic ROC species with C* of 10+5 μg m-3|G|190.33|L|Benzene, octyl-|[CCCCCCCCC1=CC=CC=C1](https://comptox.epa.gov/dashboard/chemical/details/DTXSID2062240)\nROCP5AROP|Peroxy radicals from ROCP5ARO oxidation|G|271.33|L|{8-hydroxy-5-octyl-6,7-dioxabicyclo[3.2.1]oct-3-en-2-yl}peroxy|CCCCCCCCC1\\(OO2\\)C=CC\\(O\\[O\\]\\)C2C1O\nROCP5OXY1|Oxygenated ROC species with C* of 10+5 μg m-3 and O:C of 0.1|G|170.3|L|Undecanal|[CCCCCCCCCCC=O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021688)\nROCP6ALK|Alkane-like ROC species with C* of 10+6 μg m-3|G|184.37|L|Tridecane|[CCCCCCCCCCCCC](https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027266)\nROCP6ALKP|Peroxy radicals from ROCP6ALK oxidation|G|215.36|L|tridecan-3-ylperoxy|CCCCCCCCCCC\\(CC\\)O\\[O\\]\nROCP6ALKP2|Hydroxy peroxy radicals from ROCP6ALK alkoxy product|G|231.36|L|(3-hydroxytridecan-6-yl)peroxy|CCCCCCCC\\(O\\[O\\]\\)CCC\\(O\\)CC\nROCP6ARO|Aromatic ROC species with C* of 10+6 μg m-3|G|176.3|L|1-Hexyl-4-methylbenzene|[CCCCCCC1=CC=C\\(C\\)C=C1](https://comptox.epa.gov/dashboard/chemical/details/DTXSID30333914)\nROCP6AROP|Peroxy radicals from ROCP6ARO oxidation|G|257.3|L|{2-hexyl-8-hydroxy-5-methyl-6,7-dioxabicyclo[3.2.1]oct-3-en-2-yl}peroxy|OC1C2C\\(CCCCCC\\)\\(O\\[O\\]\\)C=CC1\\(C\\)OO2\nROCP6OXY1|Oxygenated ROC species with C* of 10+6 μg m-3 and O:C of 0.1|G|142.2|L|Nonanal|[CCCCCCCCC=O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021639)\nROH|C3 and higher alcohols |G|60.0|L|Propanol|[CCCO](https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021739)\nSESQ|Sesquiterpenes |G|204.4|L|b-caryophyllene|[C/C1=C/CCC\\(=C\\)C2CC\\(C\\)\\(C\\)C2CC\\1](https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024739)\nSESQNRO2|Peroxy radicals from SESQ reaction with nitrate radicals|G|298.4|L|[4,11,11-trimethyl-8-methylidene-5-(nitrooxy)bicyclo[7.2.0]undecan-4-yl]peroxy|\\[O\\]OC1\\(C\\)CCC2C\\(CC2\\(C\\)C\\)C\\(=C\\)CCC1O\\[N+\\]\\(=O\\)\\[O-\\]\nSESQRO2|Peroxy radicals from SESQ reaction with OH|G|253.4|L|{5-hydroxy-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undecan-4-yl}peroxy|\\[O\\]OC1\\(C\\)CCC2C\\(CC2\\(C\\)C\\)C\\(=C\\)CCC1O\nSLOWROC|Slowly reacting ROC with kOH< 3.5x10-13 cm3 s-1 |G|75.4|L|Hydrogen cyanide|[C#N](https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024148)\nSO2|Sulfur dioxide |G|64.0|E|Sulfur dioxide|[O=S=O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID6029672)\nSRF|Surface area of particles|P|1.0|L|Surface area of particles|\nSULF|Sulfuric acid|G|98.0|E|Sulfuric acid|[OS\\(=O\\)\\(=O\\)O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID5029683)\nSULRXN|Precursor of Aerosol Sulfate (tracking species) |G|98.0||NA|\nTOL|Toluene |G|92.14|E|Toluene|[CC1=CC=CC=C1](https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021360)\nTOLP|Peroxy radicals formed from TOL|G|173.14|L|{8-hydroxy-5-methyl-6,7-dioxabicyclo[3.2.1]oct-3-en-2-yl}peroxy|\\[O\\]OC1C=CC2\\(C\\)OOC1C2O\nTRPN|Terpene nitrates|G|215.0|L|3-hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-2-yl nitrate|O=N\\(=O\\)OC1\\(C\\)C\\(O\\)CC2CC1C2\\(C\\)C\nUALD|Unsaturated aldehydes|G|84.1|L|2-Methylbut-2-enal|[CC=C\\(C\\)C=O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID00859414)\nUALP|Peroxy radicals formed from UALD |G|133.0|L|(3-hydroxy-3-methyl-4-oxobutan-2-yl)peroxy|CC\\(O\\[O\\]\\)C\\(C\\)\\(O\\)C=O\nXO2|Accounts for addition NO to NO2 conversions (tracking species)|G|1.0||NA|\nXYE|O- and p-xylene and other less reactive volatile aromatics with kOH < 1.46x10-11 cm3 s-1 |G|106.2|L|Ethylbenzene|[CCC1=CC=CC=C1](https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020596)\nXYEP|Peroxy radicals formed from XYE|G|187.17|L|{5-ethyl-8-hydroxy-6,7-dioxabicyclo[3.2.1]oct-3-en-2-yl}peroxy|\\[O\\]OC1C=CC2\\(CC\\)OOC1C2O\nXYM|M-xylene and other more reactive volatile aromatics with kOH > 1.46x10-11 cm3 s-1 |G|106.2|L|m-Xylene|[CC1=CC\\(C\\)=CC=C1](https://comptox.epa.gov/dashboard/chemical/details/DTXSID6026298)\nXYMP|Peroxy radicals formed from XYM|G|187.17|L|{8-hydroxy-1,5-dimethyl-6,7-dioxabicyclo[3.2.1]oct-3-en-2-yl}peroxy|\\[O\\]OC1C=CC2\\(C\\)OOC1\\(C\\)C2O\n\n" }, { "path": "CCTM/src/MECHS/mechanism_information/cracmm1_aq/mech_cracmm1_aq.md", "content": "Information is based on the mech.def file.\n* Fall-off or pressure dependent reaction rate constants (M equals air number density):\n * For rate constants with ko, ki, n, F values: k = [ koM/(1+koM/ki)]FG, where G=(1+(log10(koM/ki)/n)2))-1 \n * For rate constants with k1, k2: k = k1 + k2M\n * For rate constants with k0, k2, k3: k = k0 + k3M/(1+k3M/k2)\n * For rate constants with k1, k2, k3: k = k1 + k2M + k3 \n\n* For rate constants with the form A<_Reference_>, k equals A times a reference that represents photolysis rate, a heteorogeneous rate constant, rate constant for the given reaction or an operator. A equals one if not given.\n\n* In the mechanism definition file, the rate is formatted as\n * A~<_HETEROGENEOUS_>\n * A*K<_REACTION_>\n * A/<_PHOTOLYSIS_>\n * A?<_OPERATOR_>\n\n|Label|Reaction |Rate Constant Formula| Value
molecules/(sec*cm3)| \n|:---|:-------------------|:--------------------|:----:| \n| R001 | O3 ----> O3P | O3O3P_NASA06 | Not Available1 | \n| R002 | O3 ----> O1D | O3O1D_NASA06 | Not Available1 | \n| R003 | H2O2 ----> 2.000\\*HO | H2O2_RACM2 | Not Available1 | \n| R004 | NO2 ----> O3P + NO | NO2_RACM2 | Not Available1 | \n| R005 | NO3 ----> NO | NO3NO_RACM2 | Not Available1 | \n| R006 | NO3 ----> O3P + NO2 | NO3NO2_RACM2 | Not Available1 | \n| R007 | HONO ----> HO + NO | HONO_RACM2 | Not Available1 | \n| R008 | HNO3 ----> HO + NO2 | HNO3_RACM2 | Not Available1 | \n| R009 | HNO4 ----> 0.200\\*HO + 0.800\\*HO2 + 0.800\\*NO2 + 0.200\\*NO3 | HNO4_RACM2 | Not Available1 | \n| R010 | HCHO ----> CO | HCHO_MOL_JPL19 | Not Available1 | \n| R011 | HCHO ----> 2.000\\*HO2 + CO | HCHO_RAD_JPL19 | Not Available1 | \n| R012 | ACD ----> HO2 + MO2 + CO | CH3CHO_RACM2 | Not Available1 | \n| R013 | ALD ----> HO2 + ETHP + CO | ALD_JPL19 | Not Available1 | \n| R014 | ACT ----> MO2 + ACO3 | CH3COCH3A_JPL19 | Not Available1 | \n| R014a | ACT ----> 2.000\\*MO2 + CO | CH3COCH3B_JPL19 | Not Available1 | \n| R015 | UALD ----> 1.220\\*HO2 + 0.784\\*ACO3 + 1.220\\*CO + 0.350\\*HCHO + 0.434\\*ALD + 0.216\\*KET | UALD_RACM2 | Not Available1 | \n| TRP01 | PINAL ----> HO2 + HC10P + CO | ALD_JPL19 | Not Available1 | \n| TRP02 | LIMAL ----> HO2 + HC10P + CO | ALD_JPL19 | Not Available1 | \n| R016 | MEK ----> 0.100\\*MO2 + ETHP + 0.900\\*ACO3 + 0.100\\*CO | MEK_JGR19 | Not Available1 | \n| R017 | KET ----> 1.500\\*ETHP + 0.500\\*ACO3 + 0.500\\*CO | KET_JGR19 | Not Available1 | \n| R018 | HKET ----> HO2 + ACO3 + HCHO | HKET_RACM2 | Not Available1 | \n| R019 | MACR ----> 0.340\\*HO + 0.660\\*HO2 + 0.670\\*ACO3 + 0.330\\*MACP + 0.340\\*XO2 + 0.670\\*CO + 0.670\\*HCHO | MACR_RACM2 | Not Available1 | \n| R020 | MVK ----> 0.300\\*MO2 + 0.300\\*MACP + 0.700\\*CO + 0.700\\*UALD | MVK_RACM2 | Not Available1 | \n| R021 | GLY ----> 2.000\\*CO | GLYH2_RACM2 | Not Available1 | \n| R022 | GLY ----> HCHO + CO | GLYF_RACM2 | Not Available1 | \n| R023 | GLY ----> 2.000\\*HO2 + 2.000\\*CO | GLYHX_RACM2 | Not Available1 | \n| R024 | MGLY ----> HO2 + ACO3 + CO | MGLY_RACM2 | Not Available1 | \n| R025 | DCB1 ----> 1.500\\*HO2 + 0.250\\*ACO3 + 0.200\\*XO2 + CO + 0.500\\*GLY + 0.500\\*MGLY | MGLY_RACM2 | Not Available1 | \n| R026 | DCB2 ----> 1.500\\*HO2 + 0.250\\*ACO3 + 0.200\\*XO2 + CO + 0.500\\*GLY + 0.500\\*MGLY | MGLY_RACM2 | Not Available1 | \n| R027 | BALD ----> CHO + HO2 + CO | BALD_RACM2 | Not Available1 | \n| R028 | OP1 ----> HO + HO2 + HCHO | OP1_RACM2 | Not Available1 | \n| R029 | OP2 ----> HO + HO2 + ALD | OP1_RACM2 | Not Available1 | \n| TRP03 | OPB ----> HO + HO2 + ALD | OP1_RACM2 | Not Available1 | \n| R029a | OP3 ----> HO + HO2 + ALD | OP1_RACM2 | Not Available1 | \n| R030 | PAA ----> HO + MO2 | PAA_RACM2 | Not Available1 | \n| R031 | ONIT ----> HO2 + NO2 + 0.200\\*ALD + 0.800\\*KET | ONIT_RACM2 | Not Available1 | \n| R032 | PAN ----> ACO3 + NO2 | PAN1_RACM2 | Not Available1 | \n| R033 | PAN ----> MO2 + NO3 | PAN2_RACM2 | Not Available1 | \n| R034 | O3 + HO ----> HO2 | 1.70E-12e -940.00/T | 7.2647E-14 |\n| R035 | O3 + HO2 ----> HO | 1.00E-14e -490.00/T | 1.9331E-15 |\n| R036 | O3 + NO ----> NO2 | 3.00E-12e -1500.00/T | 1.9596E-14 |\n| R037 | O3 + NO2 ----> NO3 | 1.20E-13e -2450.00/T | 3.2392E-17 |\n| R038 | O3P + O2 + M ----> O3 | 6.10E-34(T/300) -2.40 | 6.1912E-34 |\n| R039 | O3P + O3 ----> | 8.00E-12e -2060.00/T | 7.9879E-15 |\n| R040 | O1D + O2 ----> O3P | 3.30E-11e 55.00/T | 3.9685E-11 |\n| R041 | O1D + N2 ----> O3P | 2.15E-11e 110.00/T | 3.1093E-11 |\n| R042 | O1D + H2O ----> 2.000\\*HO | 1.63E-10e 60.00/T | 1.9934E-10 |\n| R043 | HO + H2 ----> HO2 | 2.80E-12e -1800.00/T | 6.6869E-15 |\n| R044 | HO + HO2 ----> | 4.80E-11e 250.00/T | 1.1102E-10 |\n| R045 | HO2 + HO2 ----> H2O2 | k0= 3.00E-13e 460.0/T
k1= 2.10E-33e 920.0/T | 2.5345E-12 |\n| R046 | HO2 + HO2 + H2O ----> H2O2 | k0= 4.20E-34e 2660.0/T
k1= 2.94E-54e 3120.0/T | 5.6834E-30 |\n| R047 | H2O2 + HO ----> HO2 | 1.80E-12e 0.00/T | 1.8000E-12 |\n| R048 | NO + O3P ----> NO2 | ko= 9.10E-32e 0.0/T(T/300) -1.50
ki = 3.00E-11e 0.0/T(T/300) 0.00
n= 1.00;F= 0.60 | 1.6772E-12 |\n| R049 | NO + HO ----> HONO | ko= 7.10E-31e 0.0/T(T/300) -2.60
ki = 3.60E-11e 0.0/T(T/300) -0.10
n= 1.00;F= 0.60 | 7.4585E-12 |\n| R050 | NO + HO2 ----> NO2 + HO | 3.44E-12e 260.00/T | 8.2278E-12 |\n| R051 | NO + HO2 ----> HNO3 | k0= 6.0950E-14e 270.0/T(T/300) -1.00
k2= 6.8570E-34e 270.0/T(T/300) 1.00
k3= -5.9680E-14e 270.00/T | 4.5566E-14 |\n| R052 | NO + NO + O2 ----> 2.000\\*NO2 | 4.25E-39e 663.50/T | 3.9343E-38 |\n| R053 | HONO + HO ----> NO2 | 3.00E-12e 250.00/T | 6.9387E-12 |\n| R054 | NO2 + O3P ----> NO | 5.30E-12e 200.00/T | 1.0366E-11 |\n| R055 | NO2 + O3P ----> NO3 | ko= 3.40E-31e 0.0/T(T/300) -1.60
ki = 2.30E-11e 0.0/T(T/300) -0.20
n= 1.00;F= 0.60 | 4.0243E-12 |\n| R056 | NO2 + HO ----> HNO3 | ko= 1.80E-30e 0.0/T(T/300) -3.00
ki = 2.80E-11e 0.0/T(T/300) 0.00
n= 1.00;F= 0.60 | 1.0589E-11 |\n| R057 | HNO3 + HO ----> NO3 | k0= 2.40E-14e 460.0/T
k1= 2.70E-17e 2199.0/T
k3= 6.50E-34e 1335.0/T | 1.5409E-13 |\n| R058 | NO3 + HO ----> HO2 + NO2 | 2.0000E-11 | 2.0000E-11 |\n| R059 | NO3 + HO2 ----> 0.700\\*HO + 0.700\\*NO2 + 0.300\\*HNO3 | 3.5000E-12 | 3.5000E-12 |\n| R060 | NO3 + NO ----> 2.000\\*NO2 | 1.70E-11e 125.00/T | 2.5854E-11 |\n| R061 | NO3 + NO2 ----> NO + NO2 | 4.35E-14e -1335.00/T | 4.9418E-16 |\n| R062 | NO3 + NO3 ----> 2.000\\*NO2 | 8.50E-13e -2450.00/T | 2.2944E-16 |\n| R063 | NO3 + NO2 ----> N2O5 | ko= 2.40E-30e 0.0/T(T/300) -3.00
ki = 1.60E-12e 0.0/T(T/300) 0.10
n= 1.00;F= 0.60 | 1.3451E-12 |\n| R064 | N2O5 ----> NO2 + NO3 | 1.72E+26e-10840.00/T \\*R063 | 3.7623E-028| \n| R065 | N2O5 + H2O ----> 2.000\\*HNO3 | 1.0000E-22 | 1.0000E-22 |\n| R066 | NO2 + HO2 ----> HNO4 | ko= 1.90E-31e 0.0/T(T/300) -3.40
ki = 4.00E-12e 0.0/T(T/300) -0.30
n= 1.00;F= 0.60 | 1.3113E-12 |\n| R067 | HNO4 ----> HO2 + NO2 | 4.76E+26e-10900.00/T \\*R066 | 8.2835E-028| \n| R068 | HNO4 + HO ----> NO2 | 4.50E-13e 610.00/T | 3.4814E-12 |\n| R069 | SO2 + HO ----> HO2 + SULF + SULRXN | ko= 2.90E-31e 0.0/T(T/300) -4.10
ki = 1.70E-12e 0.0/T(T/300) 0.20
n= 1.00;F= 0.60 | 9.5762E-13 |\n| R070 | CO + HO ----> HO2 | k0= 1.44E-13e 0.0/T
k1= 2.74E-33e 0.0/T | 2.1145E-13 |\n| R071 | HO + CH4 ----> MO2 | 2.45E-12e -1775.00/T | 6.3628E-15 |\n| R072 | ETH + HO ----> ETHP | 7.66E-12e -1020.00/T | 2.5030E-13 |\n| R073 | HC3 + HO ----> HC3P + 0.000\\*ASOATJ | 7.68E-12e -370.00/T | 2.2203E-12 |\n| R074 | HC5 + HO ----> HC5P + 0.001\\*ASOATJ | 1.01E-11e -245.00/T | 4.4407E-12 |\n| R076 | ETE + HO ----> ETEP | ko= 1.00E-28e 0.0/T(T/300) -4.50
ki = 8.80E-12e 0.0/T(T/300) -0.85
n= 1.00;F= 0.60 | 8.1981E-12 |\n| R077 | OLT + HO ----> OLTP | 5.72E-12e 500.00/T | 3.0599E-11 |\n| R078 | OLI + HO ----> OLIP | 1.33E-11e 500.00/T | 7.1149E-11 |\n| R080 | ACE + HO ----> 0.650\\*HO + 0.350\\*HO2 + 0.350\\*CO + 0.650\\*GLY + 0.350\\*ORA1 | ko= 5.50E-30e 0.0/T(T/300) 0.00
ki = 8.30E-13e 0.0/T(T/300) 2.00
n= 1.00;F= 0.60 | 7.4748E-13 |\n| ROCARO31 | BEN + HO ----> 0.470\\*BENP + 0.530\\*PHEN + 0.530\\*HO2 | 2.33E-12e -193.00/T | 1.2196E-12 |\n| ROCARO41 | TOL + HO ----> 0.820\\*TOLP + 0.180\\*CSL + 0.180\\*HO2 | 1.81E-12e 354.00/T | 5.9337E-12 |\n| ROCARO51 | XYM + HO ----> 0.830\\*XYMP + 0.170\\*CSL + 0.170\\*HO2 | 2.3300E-11 | 2.3300E-11 |\n| ROCARO61 | XYE + HO ----> 0.820\\*XYEP + 0.180\\*CSL + 0.180\\*HO2 | 7.1600E-12 | 7.1600E-12 |\n| R086 | ISO + HO ----> ISOP | 2.70E-11e 390.00/T | 9.9873E-11 |\n| R087 | API + HO ----> 0.975\\*APIP1 + 0.025\\*APIP2 | 1.21E-11e 440.00/T | 5.2930E-11 |\n| R088 | LIM + HO ----> 0.945\\*LIMP1 + 0.055\\*LIMP2 | 4.20E-11e 401.00/T | 1.6120E-10 |\n| TRP04 | PINAL + HO ----> 0.230\\*PINALP + 0.770\\*RCO3 | 5.20E-12e 600.00/T | 3.8903E-11 |\n| TRP05 | LIMAL + HO ----> 0.700\\*LIMALP + 0.300\\*RCO3 | 1.0000E-10 | 1.0000E-10 |\n| R089 | HCHO + HO ----> HO2 + CO | 5.50E-12e 125.00/T | 8.3645E-12 |\n| R090 | ACD + HO ----> ACO3 | 4.70E-12e 345.00/T | 1.4950E-11 |\n| R091 | ALD + HO ----> RCO3 | 4.90E-12e 405.00/T | 1.9060E-11 |\n| R092 | ACT + HO ----> ACTP | 4.56E-14e -427.00/T(T/300) 3.65 | 1.0646E-14 |\n| R093 | MEK + HO ----> MEKP | 1.50E-12e -90.00/T | 1.1092E-12 |\n| R094 | KET + HO ----> KETP | 2.80E-12e 10.00/T | 2.8955E-12 |\n| R095 | HKET + HO ----> HO2 + MGLY | 3.0000E-12 | 3.0000E-12 |\n| R096 | MACR + HO ----> 0.570\\*MACP + 0.430\\*MCP | 8.00E-12e 380.00/T | 2.8616E-11 |\n| R097 | MVK + HO ----> MVKP | 2.60E-12e 610.00/T | 2.0115E-11 |\n| R098 | UALD + HO ----> 0.313\\*ACO3 + 0.687\\*UALP | 5.77E-12e 533.00/T | 3.4479E-11 |\n| R099 | GLY + HO ----> HO2 + 2.000\\*CO | 1.1000E-11 | 1.1000E-11 |\n| R100 | MGLY + HO ----> ACO3 + CO | 9.26E-13e 830.00/T | 1.4984E-11 |\n| R101 | DCB1 + HO ----> 0.520\\*HO2 + 0.330\\*CO + 0.400\\*ALD + 0.780\\*KET + 0.100\\*GLY + 0.010\\*MGLY | 2.80E-11e 175.00/T | 5.0358E-11 |\n| R102 | DCB2 + HO ----> 0.520\\*HO2 + 0.330\\*CO + 0.130\\*MEK + 0.100\\*GLY + 0.010\\*MGLY + 0.780\\*OP2 | 2.80E-11e 175.00/T | 5.0358E-11 |\n| R103 | DCB3 + HO ----> 0.560\\*HO2 + 0.210\\*MACP + 0.110\\*CO + 0.270\\*GLY + 0.010\\*MGLY + 0.790\\*OP2 | 1.0000E-11 | 1.0000E-11 |\n| R104 | BALD + HO ----> BALP | 5.32E-12e 243.00/T | 1.2019E-11 |\n| R105 | PHEN + HO ----> 0.152\\*ASOATJ + 0.619\\*HO2 + 0.170\\*ADDC + 0.059\\*CHO + 0.619\\*MCT | 6.75E-12e 405.00/T | 2.6257E-11 |\n| R106 | CSL + HO ----> 0.200\\*ASOATJ + 0.584\\*HO2 + 0.160\\*ADDC + 0.056\\*CHO + 0.584\\*MCT | 4.65E-11e 0.00/T | 4.6500E-11 |\n| R108 | MCT + HO ----> MCTO | 2.05E-10e 0.00/T | 2.0500E-10 |\n| R109 | MOH + HO ----> HO2 + HCHO | 2.85E-12e -345.00/T | 8.9600E-13 |\n| R110 | EOH + HO ----> HO2 + ACD | 3.00E-12e 20.00/T | 3.2081E-12 |\n| R111 | ROH + HO ----> HO2 + 0.719\\*ALD + 0.184\\*ACD | 2.60E-12e 200.00/T | 5.0851E-12 |\n| R112 | ETEG + HO ----> HO2 + ALD | 1.4700E-11 | 1.4700E-11 |\n| R113 | OP1 + HO ----> 0.350\\*HO + 0.650\\*MO2 + 0.350\\*HCHO | 2.90E-12e 190.00/T | 5.4848E-12 |\n| R114 | OP2 + HO ----> 0.010\\*HO + 0.440\\*HC3P + 0.070\\*XO2 + 0.080\\*ALD + 0.410\\*KET | 3.40E-12e 190.00/T | 6.4304E-12 |\n| TRP06 | OPB + HO ----> 0.010\\*HO + 0.440\\*HC10P + 0.070\\*XO2 + 0.080\\*ALD + 0.410\\*KET | 3.40E-12e 190.00/T | 6.4304E-12 |\n| R114a | OP3 + HO ----> 0.010\\*HO + 0.440\\*HC10P + 0.070\\*XO2 + 0.080\\*ALD + 0.410\\*KET | 3.40E-12e 190.00/T | 6.4304E-12 |\n| R115 | ISHP + HO ----> HO + MACR + 0.904\\*IEPOX | 1.0000E-10 | 1.0000E-10 |\n| R116 | MAHP + HO ----> MACP | 3.0000E-11 | 3.0000E-11 |\n| R117 | ORA1 + HO ----> HO2 | 4.5000E-13 | 4.5000E-13 |\n| R118 | ORA2 + HO ----> 0.640\\*MO2 + 0.360\\*ORAP | 4.00E-14e 850.00/T | 6.9214E-13 |\n| R119 | PAA + HO ----> 0.350\\*HO + 0.650\\*ACO3 + 0.350\\*XO2 + 0.350\\*HCHO | 2.93E-12e 190.00/T | 5.5415E-12 |\n| R120 | PAN + HO ----> XO2 + NO3 + HCHO | 4.0000E-14 | 4.0000E-14 |\n| R121 | PPN + HO ----> XO2 + NO3 + HCHO | 4.0000E-14 | 4.0000E-14 |\n| R122 | MPAN + HO ----> NO2 + HKET | 3.2000E-11 | 3.2000E-11 |\n| R123 | ONIT + HO ----> HC3P + NO2 | 5.31E-12e -260.00/T | 2.2201E-12 |\n| TRP07 | TRPN + HO ----> HOM | 4.8000E-12 | 4.8000E-12 |\n| R124 | NALD + HO ----> NO2 + XO2 + HKET | 5.60E-12e 270.00/T | 1.3851E-11 |\n| R125 | ISON + HO ----> NALD + 0.070\\*HKET + 0.070\\*HCHO | 1.3000E-11 | 1.3000E-11 |\n| R126 | ETE + O3 ----> 0.080\\*HO + 0.150\\*HO2 + 0.430\\*CO + HCHO + 0.370\\*ORA1 | 9.14E-15e -2580.00/T | 1.5953E-18 |\n| R127 | OLT + O3 ----> 0.220\\*HO + 0.320\\*HO2 + 0.080\\*MO2 + 0.060\\*ETHP + 0.040\\*HC3P + 0.020\\*HC5P + 0.068\\*H2O2 + 0.430\\*CO + 0.020\\*ETH + 0.015\\*HC3 + 0.006\\*HC5 + 0.032\\*BEN + 0.560\\*HCHO + 0.010\\*ACD + 0.440\\*ALD + 0.030\\*ACT + 0.020\\*BALD + 0.060\\*MEK + 0.010\\*HKET + 0.030\\*ORA1 + 0.060\\*ORA2 | 4.33E-15e -1800.00/T | 1.0341E-17 |\n| R128 | OLI + O3 ----> 0.460\\*HO + 0.070\\*HO2 + 0.320\\*MO2 + 0.070\\*ETHP + 0.040\\*HC3P + 0.090\\*ACO3 + 0.370\\*CO + 0.026\\*H2O2 + 0.010\\*ETH + 0.010\\*HC3 + 0.090\\*HCHO + 0.457\\*ACD + 0.730\\*ALD + 0.110\\*ACT + 0.017\\*KET + 0.044\\*HKET + 0.017\\*ORA2 | 4.40E-15e -845.00/T | 2.5858E-16 |\n| R130 | ISO + O3 ----> 0.250\\*HO + 0.250\\*HO2 + 0.080\\*MO2 + 0.100\\*ACO3 + 0.100\\*MACP + 0.090\\*H2O2 + 0.140\\*CO + 0.580\\*HCHO + 0.461\\*MACR + 0.189\\*MVK + 0.280\\*ORA1 + 0.153\\*OLT | 7.86E-15e -1913.00/T | 1.2850E-17 |\n| R131 | API + O3 ----> 0.900\\*HO + 0.900\\*APIP1 + 0.050\\*APIP2 + 0.050\\*PINAL + 0.050\\*H2O2 + 0.140\\*CO | 5.00E-16e -530.00/T | 8.4519E-17 |\n| R132 | LIM + O3 ----> 0.840\\*HO + 0.840\\*LIMP1 + 0.110\\*LIMP2 + 0.050\\*LIMAL + 0.050\\*H2O2 + 0.140\\*CO | 2.95E-15e -783.00/T | 2.1344E-16 |\n| TRP08 | LIMAL + O3 ----> 0.040\\*HO + 0.670\\*HC10P + 0.790\\*HCHO + 0.330\\*KET + 0.040\\*HO2 + 0.200\\*CO | 8.3000E-18 | 8.3000E-18 |\n| TRP09 | TRPN + O3 ----> HOM | 1.6700E-16 | 1.6700E-16 |\n| R133 | MACR + O3 ----> 0.190\\*HO + 0.140\\*HO2 + 0.100\\*ACO3 + 0.220\\*CO + 0.500\\*MGLY + 0.450\\*ORA1 | 1.36E-15e -2112.00/T | 1.1406E-18 |\n| R134 | MVK + O3 ----> 0.160\\*HO + 0.110\\*HO2 + 0.280\\*ACO3 + 0.010\\*XO2 + 0.560\\*CO + 0.100\\*HCHO + 0.540\\*MGLY + 0.070\\*ORA1 + 0.070\\*ORA2 + 0.100\\*ALD | 8.50E-16e -1520.00/T | 5.1921E-18 |\n| R135 | UALD + O3 ----> 0.100\\*HO + 0.072\\*HO2 + 0.008\\*MO2 + 0.002\\*ACO3 + 0.100\\*XO2 + 0.243\\*CO + 0.080\\*HCHO + 0.420\\*ACD + 0.028\\*KET + 0.491\\*GLY + 0.003\\*MGLY + 0.044\\*ORA1 | 1.6600E-18 | 1.6600E-18 |\n| R136 | DCB1 + O3 ----> 0.050\\*HO + HO2 + 0.600\\*RCO3 + 0.600\\*XO2 + 1.500\\*CO + 0.050\\*HCHO + 0.050\\*GLY + 0.080\\*MGLY + 0.650\\*OP2 | 2.0000E-16 | 2.0000E-16 |\n| R137 | DCB2 + O3 ----> 0.050\\*HO + HO2 + 0.600\\*RCO3 + 0.600\\*XO2 + 1.500\\*CO + 0.050\\*HCHO + 0.050\\*GLY + 0.080\\*MGLY + 0.700\\*DCB1 + 0.650\\*OP2 | 2.0000E-16 | 2.0000E-16 |\n| R138 | DCB3 + O3 ----> 0.050\\*HO + HO2 + 1.500\\*CO + 0.480\\*GLY + 0.700\\*DCB1 + 0.250\\*ORA1 + 0.250\\*ORA2 + 0.110\\*PAA | 9.0000E-17 | 9.0000E-17 |\n| R140 | MCTO + O3 ----> MCTP | 2.8600E-13 | 2.8600E-13 |\n| R141 | ETE + NO3 ----> 0.800\\*OLNN + 0.200\\*OLND | 4.39E-13e -2282.00/T(T/300) 2.00 | 2.0571E-16 |\n| R142 | OLT + NO3 ----> 0.430\\*OLNN + 0.570\\*OLND | 1.79E-13e -450.00/T | 3.9570E-14 |\n| R143 | OLI + NO3 ----> 0.110\\*OLNN + 0.890\\*OLND | 8.64E-13e 450.00/T | 3.9084E-12 |\n| R145 | ISO + NO3 ----> ISON | 3.03E-12e -446.00/T | 6.7887E-13 |\n| R146 | API + NO3 ----> 0.975\\*APINP1 + 0.025\\*APINP2 | 1.19E-12e 490.00/T | 6.1560E-12 |\n| R147 | LIM + NO3 ----> 0.945\\*LIMNP1 + 0.055\\*LIMNP2 | 1.2200E-11 | 1.2200E-11 |\n| TRP10 | TRPN + NO3 ----> HOM | 3.15E-14e -448.00/T | 7.0104E-15 |\n| R148 | HCHO + NO3 ----> HO2 + CO + HNO3 | 2.00E-12e -2440.00/T | 5.5828E-16 |\n| R149 | ACD + NO3 ----> ACO3 + HNO3 | 1.40E-12e -1900.00/T | 2.3907E-15 |\n| R150 | ALD + NO3 ----> RCO3 + HNO3 | 3.76E-12e -1900.00/T | 6.4208E-15 |\n| R151 | MACR + NO3 ----> 0.680\\*HCHO + 0.320\\*MACP + 0.680\\*XO2 + 0.680\\*MGLY + 0.320\\*HNO3 + 0.680\\*NO2 | 3.4000E-15 | 3.4000E-15 |\n| R152 | UALD + NO3 ----> HO2 + XO2 + 0.668\\*CO + 0.332\\*HCHO + 0.332\\*ALD + ONIT | 5.02E-13e -1076.00/T | 1.3595E-14 |\n| R153 | GLY + NO3 ----> HO2 + 2.000\\*CO + HNO3 | 2.90E-12e -1900.00/T | 4.9522E-15 |\n| R154 | MGLY + NO3 ----> ACO3 + CO + HNO3 | 3.76E-12e -1900.00/T | 6.4208E-15 |\n| R155 | PHEN + NO3 ----> 0.152\\*ASOATJ + 0.339\\*CHO + 0.850\\*ADDC + 0.424\\*ADCN + 0.424\\*HNO3 | 3.7800E-12 | 3.7800E-12 |\n| R156 | CSL + NO3 ----> 0.200\\*ASOATJ + 0.320\\*CHO + 0.080\\*ADDC + 0.400\\*ADCN + 0.400\\*HNO3 | 1.0600E-12 | 1.0600E-12 |\n| R158 | MCT + NO3 ----> MCTO + HNO3 | 2.0100E-10 | 2.0100E-10 |\n| R159 | MPAN + NO3 ----> MACP + NO2 | 2.20E-14e -500.00/T | 4.1125E-15 |\n| TRP11 | PINALP ----> HOM | 1.0000E+00 | 1.0000E+00 |\n| TRP12 | LIMALP ----> HOM | 1.0000E+00 | 1.0000E+00 |\n| R166 | ACO3 + NO2 ----> PAN | ko= 9.70E-29e 0.0/T(T/300) -5.60
ki = 9.30E-12e 0.0/T(T/300) -1.50
n= 1.00;F= 0.60 | 8.6800E-12 |\n| R167 | PAN ----> ACO3 + NO2 | 1.11E+28e-14000.00/T \\*R166 | 3.9034E-048| \n| R168 | RCO3 + NO2 ----> PPN | ko= 9.70E-29e 0.0/T(T/300) -5.60
ki = 9.30E-12e 0.0/T(T/300) -1.50
n= 1.00;F= 0.60 | 8.6800E-12 |\n| R169 | PPN ----> RCO3 + NO2 | 1.11E+28e-14000.00/T \\*R168 | 3.9034E-048| \n| R170 | MACP + NO2 ----> MPAN | 2.80E-12e 181.00/T | 5.1382E-12 |\n| R171 | MPAN ----> MACP + NO2 | 1.60E+16e-13486.00/T | 3.6308E-04 |\n| R172 | MO2 + NO ----> HO2 + NO2 + HCHO | 2.80E-12e 300.00/T | 7.6586E-12 |\n| R173 | ETHP + NO ----> HO2 + NO2 + ACD | 2.60E-12e 365.00/T | 8.8439E-12 |\n| R174 | HC3P + NO ----> 0.660\\*HO2 + 0.131\\*MO2 + 0.048\\*ETHP + 0.089\\*XO2 + 0.935\\*NO2 + 0.504\\*ACD + 0.132\\*ALD + 0.165\\*ACT + 0.042\\*MEK + 0.065\\*ONIT | 4.0000E-12 | 4.0000E-12 |\n| R175 | HC5P + NO ----> 0.200\\*HO2 + 0.051\\*MO2 + 0.231\\*ETHP + 0.235\\*XO2 + 0.864\\*NO2 + 0.018\\*HCHO + 0.045\\*ACD + 0.203\\*ALD + 0.033\\*MEK + 0.217\\*ACT + 0.033\\*KET + 0.272\\*HKET + 0.136\\*ONIT | 4.0000E-12 | 4.0000E-12 |\n| R177 | ETEP + NO ----> HO2 + NO2 + 1.600\\*HCHO + 0.200\\*ALD | 9.0000E-12 | 9.0000E-12 |\n| R178 | OLTP + NO ----> 0.780\\*HO2 + 0.970\\*NO2 + 0.780\\*HCHO + 0.012\\*ACD + 0.440\\*ALD + 0.060\\*ACT + 0.130\\*MEK + 0.030\\*ONIT | 4.0000E-12 | 4.0000E-12 |\n| R179 | OLIP + NO ----> 0.830\\*HO2 + 0.950\\*NO2 + 0.810\\*ACD + 0.680\\*ALD + 0.200\\*ACT + 0.090\\*KET + 0.020\\*HKET + 0.050\\*ONIT | 4.0000E-12 | 4.0000E-12 |\n| ROCARO33 | BENP + NO ----> 0.000\\*ONIT + 0.001\\*VROCP4OXY2 + 0.001\\*VROCN1OXY6 + 0.998\\*NO2 + 0.998\\*HO2 + 0.000\\*BALD + 0.998\\*GLY + 0.499\\*FURANONE + 0.249\\*DCB2 + 0.249\\*DCB3 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| ROCARO43 | TOLP + NO ----> 0.000\\*ONIT + 0.001\\*VROCP4OXY2 + 0.001\\*VROCN1OXY6 + 0.998\\*NO2 + 0.998\\*HO2 + 0.085\\*BALD + 0.548\\*GLY + 0.365\\*MGLY + 0.365\\*FURANONE + 0.548\\*DCB1 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| ROCARO53 | XYMP + NO ----> 0.000\\*ONIT + 0.001\\*VROCP3OXY2 + 0.001\\*VROCP0OXY4 + 0.998\\*NO2 + 0.998\\*HO2 + 0.048\\*BALD + 0.703\\*GLY + 0.247\\*MGLY + 0.351\\*FURANONE + 0.598\\*DCB2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| ROCARO63 | XYEP + NO ----> 0.000\\*ONIT + 0.001\\*VROCP3OXY2 + 0.001\\*VROCP0OXY4 + 0.998\\*NO2 + 0.998\\*HO2 + 0.085\\*BALD + 0.548\\*GLY + 0.365\\*MGLY + 0.456\\*FURANONE + 0.456\\*DCB2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| R188 | ISOP + NO ----> 0.880\\*HO2 + 0.880\\*NO2 + 0.200\\*HCHO + 0.280\\*MACR + 0.440\\*MVK + 0.120\\*ISON + 0.021\\*GLY + 0.029\\*HKET + 0.027\\*ALD | 2.43E-12e 360.00/T | 8.1282E-12 |\n| R189 | APIP1 + NO ----> 0.820\\*HO2 + 0.820\\*NO2 + 0.820\\*PINAL + 0.180\\*TRPN | 4.0000E-12 | 4.0000E-12 |\n| TRP13 | APIP2 + NO ----> 0.820\\*HO + 0.820\\*NO2 + HOM | 4.0000E-12 | 4.0000E-12 |\n| TRP14 | APINP1 + NO ----> 2.000\\*NO2 + PINAL | 4.0000E-12 | 4.0000E-12 |\n| TRP15 | APINP2 + NO ----> 0.820\\*NO2 + 0.820\\*HO + HOM | 4.0000E-12 | 4.0000E-12 |\n| R190 | LIMP1 + NO ----> 0.770\\*HO2 + 0.770\\*NO2 + 0.490\\*LIMAL + 0.280\\*HCHO + 0.280\\*UALD + 0.230\\*TRPN | 4.0000E-12 | 4.0000E-12 |\n| TRP16 | LIMP2 + NO ----> 0.770\\*HO + 0.770\\*NO2 + HOM | 4.0000E-12 | 4.0000E-12 |\n| TRP17 | LIMNP1 + NO ----> 2.000\\*NO2 + LIMAL | 4.0000E-12 | 4.0000E-12 |\n| TRP18 | LIMNP2 + NO ----> 0.770\\*NO2 + 0.770\\*HO + HOM | 4.0000E-12 | 4.0000E-12 |\n| TRP19 | PINALP + NO ----> 0.950\\*HO2 + 0.950\\*NO2 + 0.050\\*TRPN + 0.950\\*HCHO + 0.950\\*KET | 2.70E-12e 360.00/T | 9.0313E-12 |\n| TRP20 | LIMALP + NO ----> 0.940\\*HO2 + 0.940\\*NO2 + 0.060\\*TRPN + 0.940\\*HCHO + 0.940\\*KET | 2.70E-12e 360.00/T | 9.0313E-12 |\n| R191 | ACO3 + NO ----> MO2 + NO2 | 8.10E-12e 270.00/T | 2.0034E-11 |\n| R192 | RCO3 + NO ----> ETHP + NO2 | 8.10E-12e 270.00/T | 2.0034E-11 |\n| R193 | ACTP + NO ----> ACO3 + NO2 + HCHO | 2.90E-12e 300.00/T | 7.9321E-12 |\n| R194 | MEKP + NO ----> 0.670\\*HO2 + NO2 + 0.330\\*HCHO + 0.670\\*DCB1 | 4.0000E-12 | 4.0000E-12 |\n| R195 | KETP + NO ----> 0.770\\*HO2 + 0.230\\*ACO3 + 0.160\\*XO2 + NO2 + 0.460\\*ALD + 0.540\\*MGLY | 4.0000E-12 | 4.0000E-12 |\n| R196 | MACP + NO ----> 0.650\\*MO2 + 0.350\\*ACO3 + NO2 + 0.650\\*CO + 0.650\\*HCHO | 2.54E-12e 360.00/T | 8.4961E-12 |\n| R197 | MCP + NO ----> NO2 + 0.500\\*HO2 + 0.500\\*HCHO + HKET | 2.54E-12e 360.00/T | 8.4961E-12 |\n| R198 | MVKP + NO ----> 0.300\\*HO2 + 0.700\\*ACO3 + 0.700\\*XO2 + NO2 + 0.300\\*HCHO + 0.700\\*ALD + 0.300\\*MGLY | 2.54E-12e 360.00/T | 8.4961E-12 |\n| R199 | UALP + NO ----> HO2 + NO2 + 0.610\\*CO + 0.030\\*HCHO + 0.270\\*ALD + 0.180\\*GLY + 0.700\\*KET + 0.210\\*MGLY | 2.54E-12e 360.00/T | 8.4961E-12 |\n| R200 | BALP + NO ----> BAL1 + NO2 | 4.0000E-12 | 4.0000E-12 |\n| R201 | BAL1 + NO ----> BAL2 + NO2 | 4.0000E-12 | 4.0000E-12 |\n| R202 | ADDC + NO ----> HO2 + NO2 + 0.320\\*HKET + 0.680\\*GLY + 0.680\\*OP2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| R203 | MCTP + NO ----> MCTO + NO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| R204 | ORAP + NO ----> NO2 + GLY + HO2 | 4.0000E-12 | 4.0000E-12 |\n| R205 | OLNN + NO ----> NO2 + HO2 + ONIT | 4.0000E-12 | 4.0000E-12 |\n| R206 | OLND + NO ----> 2.000\\*NO2 + 0.287\\*HCHO + 1.240\\*ALD + 0.464\\*KET | 4.0000E-12 | 4.0000E-12 |\n| R207 | ADCN + NO ----> 2.000\\*NO2 + GLY + OP2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| R208 | XO2 + NO ----> NO2 | 4.0000E-12 | 4.0000E-12 |\n| R209 | BAL2 + NO2 ----> ONIT | 2.0000E-11 | 2.0000E-11 |\n| R210 | CHO + NO2 ----> ONIT | 2.0000E-11 | 2.0000E-11 |\n| R211 | MCTO + NO2 ----> ONIT | 2.0800E-12 | 2.0800E-12 |\n| R212 | MO2 + HO2 ----> OP1 | 4.10E-13e 750.00/T | 5.0729E-12 |\n| R213 | ETHP + HO2 ----> OP2 | 7.50E-13e 700.00/T | 7.8470E-12 |\n| R214 | HC3P + HO2 ----> OP2 | 1.66E-13e 1300.00/T | 1.2994E-11 |\n| R215 | HC5P + HO2 ----> OP2 | 1.66E-13e 1300.00/T | 1.2994E-11 |\n| R217 | ETEP + HO2 ----> OP2 | 1.90E-13e 1300.00/T | 1.4872E-11 |\n| R218 | OLTP + HO2 ----> OP2 | 1.66E-13e 1300.00/T | 1.2994E-11 |\n| R219 | OLIP + HO2 ----> OP2 | 1.66E-13e 1300.00/T | 1.2994E-11 |\n| ROCARO32 | BENP + HO2 ----> 0.602\\*OP2 + 0.398\\*VROCN1OXY6 | 2.91E-13e 1300.00/T | 2.2778E-11 |\n| ROCARO42 | TOLP + HO2 ----> 0.720\\*OP2 + 0.281\\*VROCN1OXY6 | 2.91E-13e 1300.00/T | 2.2778E-11 |\n| ROCARO52 | XYMP + HO2 ----> 0.048\\*OP2 + 0.675\\*OP3 + 0.277\\*VROCP0OXY4 | 2.91E-13e 1300.00/T | 2.2778E-11 |\n| ROCARO62 | XYEP + HO2 ----> 0.085\\*OP2 + 0.634\\*OP3 + 0.281\\*VROCP0OXY4 | 2.91E-13e 1300.00/T | 2.2778E-11 |\n| R228 | ISOP + HO2 ----> ISHP | 2.05E-13e 1300.00/T | 1.6046E-11 |\n| R229 | APIP1 + HO2 ----> OPB | 1.5000E-11 | 1.5000E-11 |\n| TRP21 | APIP2 + HO2 ----> HOM | 1.5000E-11 | 1.5000E-11 |\n| TRP22 | APINP1 + HO2 ----> TRPN | 1.5000E-11 | 1.5000E-11 |\n| TRP23 | APINP2 + HO2 ----> HOM | 1.5000E-11 | 1.5000E-11 |\n| R230 | LIMP1 + HO2 ----> OPB | 1.5000E-11 | 1.5000E-11 |\n| TRP24 | LIMP2 + HO2 ----> HOM | 1.5000E-11 | 1.5000E-11 |\n| TRP25 | LIMNP1 + HO2 ----> TRPN | 1.5000E-11 | 1.5000E-11 |\n| TRP26 | LIMNP2 + HO2 ----> HOM | 1.5000E-11 | 1.5000E-11 |\n| TRP27 | PINALP + HO2 ----> OPB | 2.91E-13e 1300.00/T | 2.2778E-11 |\n| TRP28 | LIMALP + HO2 ----> OPB | 2.91E-13e 1300.00/T | 2.2778E-11 |\n| R231 | ACO3 + HO2 ----> 0.440\\*HO + 0.440\\*MO2 + 0.150\\*ORA2 + 0.410\\*PAA | 4.30E-13e 1040.00/T | 1.4072E-11 |\n| R232 | RCO3 + HO2 ----> 0.440\\*HO + 0.440\\*ETHP + 0.150\\*ORA2 + 0.410\\*PAA | 4.30E-13e 1040.00/T | 1.4072E-11 |\n| R233 | ACTP + HO2 ----> 0.150\\*HO + 0.150\\*ACO3 + 0.150\\*HCHO + 0.850\\*OP2 | 1.15E-13e 1300.00/T | 9.0016E-12 |\n| R234 | MEKP + HO2 ----> OP2 | 1.15E-13e 1300.00/T | 9.0016E-12 |\n| R235 | KETP + HO2 ----> OP2 | 1.15E-13e 1300.00/T | 9.0016E-12 |\n| R236 | MACP + HO2 ----> MAHP | 1.82E-13e 1300.00/T | 1.4246E-11 |\n| R237 | MCP + HO2 ----> MAHP | 1.82E-13e 1300.00/T | 1.4246E-11 |\n| R238 | MVKP + HO2 ----> OP2 | 2.91E-13e 1300.00/T | 2.2778E-11 |\n| R239 | UALP + HO2 ----> OP2 | 2.91E-13e 1300.00/T | 2.2778E-11 |\n| R240 | ADDC + HO2 ----> OP2 | 3.75E-13e 980.00/T | 1.0035E-11 |\n| R241 | CHO + HO2 ----> CSL | 1.0000E-11 | 1.0000E-11 |\n| R242 | MCTP + HO2 ----> OP2 | 3.75E-13e 980.00/T | 1.0035E-11 |\n| R243 | ORAP + HO2 ----> OP2 | 1.15E-13e 1300.00/T | 9.0016E-12 |\n| R244 | OLNN + HO2 ----> ONIT | 1.66E-13e 1300.00/T | 1.2994E-11 |\n| R245 | OLND + HO2 ----> ONIT | 1.66E-13e 1300.00/T | 1.2994E-11 |\n| R246 | ADCN + HO2 ----> OP2 | 3.75E-13e 980.00/T | 1.0035E-11 |\n| R247 | XO2 + HO2 ----> OP2 | 1.66E-13e 1300.00/T | 1.2994E-11 |\n| R248 | MO2 + MO2 ----> 0.740\\*HO2 + 1.370\\*HCHO + 0.630\\*MOH | 9.50E-14e 390.00/T | 3.5141E-13 |\n| R249 | ETHP + MO2 ----> HO2 + 0.750\\*HCHO + 0.750\\*ACD + 0.250\\*MOH + 0.250\\*EOH | 1.18E-13e 158.00/T | 2.0046E-13 |\n| R250 | HC3P + MO2 ----> 0.894\\*HO2 + 0.080\\*MO2 + 0.026\\*ETHP + 0.026\\*XO2 + 0.827\\*HCHO + 0.198\\*ALD + 0.497\\*KET + 0.050\\*GLY + 0.250\\*MOH + 0.250\\*ROH | 9.46E-14e 431.00/T | 4.0151E-13 |\n| R251 | HC5P + MO2 ----> 0.842\\*HO2 + 0.018\\*MO2 + 0.140\\*ETHP + 0.191\\*XO2 + 0.777\\*HCHO + 0.251\\*ALD + 0.618\\*KET + 0.250\\*MOH + 0.250\\*ROH | 1.00E-13e 467.00/T | 4.7890E-13 |\n| R253 | ETEP + MO2 ----> HO2 + 1.950\\*HCHO + 0.150\\*ALD + 0.250\\*MOH + 0.250\\*ETEG | 1.71E-13e 708.00/T | 1.8378E-12 |\n| R254 | OLTP + MO2 ----> HO2 + 1.500\\*HCHO + 0.705\\*ALD + 0.045\\*KET + 0.250\\*MOH + 0.250\\*ROH | 1.46E-13e 708.00/T | 1.5691E-12 |\n| R255 | OLIP + MO2 ----> HO2 + 0.750\\*HCHO + 1.280\\*ALD + 0.218\\*KET + 0.250\\*MOH + 0.250\\*ROH | 9.18E-14e 708.00/T | 9.8659E-13 |\n| ROCARO35 | BENP + MO2 ----> 0.680\\*HCHO + 1.370\\*HO2 + 0.320\\*MOH + 0.000\\*BALD + GLY + 0.500\\*FURANONE + 0.250\\*DCB2 + 0.250\\*DCB3 | 3.56E-14e 708.00/T | 3.8260E-13 |\n| ROCARO45 | TOLP + MO2 ----> 0.680\\*HCHO + 1.285\\*HO2 + 0.320\\*MOH + 0.085\\*BALD + 0.549\\*GLY + 0.366\\*MGLY + 0.366\\*FURANONE + 0.549\\*DCB1 | 3.56E-14e 708.00/T | 3.8260E-13 |\n| ROCARO55 | XYMP + MO2 ----> 0.680\\*HCHO + 1.322\\*HO2 + 0.320\\*MOH + 0.048\\*BALD + 0.704\\*GLY + 0.247\\*MGLY + 0.352\\*FURANONE + 0.600\\*DCB2 | 3.56E-14e 708.00/T | 3.8260E-13 |\n| ROCARO65 | XYEP + MO2 ----> 0.680\\*HCHO + 1.285\\*HO2 + 0.320\\*MOH + 0.085\\*BALD + 0.549\\*GLY + 0.366\\*MGLY + 0.457\\*FURANONE + 0.457\\*DCB2 | 3.56E-14e 708.00/T | 3.8260E-13 |\n| R264 | ISOP + MO2 ----> HO2 + 1.310\\*HCHO + 0.159\\*MACR + 0.250\\*MVK + 0.250\\*MOH + 0.250\\*ROH + 0.023\\*ALD + 0.018\\*GLY + 0.016\\*HKET | 3.40E-14e 221.00/T | 7.1350E-14 |\n| R265 | APIP1 + MO2 ----> HO2 + 0.680\\*HCHO + 0.600\\*PINAL + 0.070\\*KET + 0.320\\*MOH + 0.250\\*ROH | 3.56E-14e 708.00/T | 3.8260E-13 |\n| TRP29 | APIP2 + MO2 ----> HO2 + 0.750\\*HCHO + 0.250\\*MOH + HOM | 1.0000E-10 | 1.0000E-10 |\n| TRP30 | APINP1 + MO2 ----> 0.370\\*HO2 + 0.860\\*NO2 + 0.680\\*HCHO + 0.860\\*PINAL + 0.320\\*MOH + 0.140\\*TRPN | 3.56E-14e 708.00/T | 3.8260E-13 |\n| TRP31 | APINP2 + MO2 ----> 0.750\\*HO2 + 0.750\\*NO2 + 0.250\\*MOH + 0.750\\*HCHO + HOM | 1.0000E-10 | 1.0000E-10 |\n| R266 | LIMP1 + MO2 ----> HO2 + HCHO + 0.420\\*LIMAL + 0.300\\*KET + 0.320\\*MOH + 0.270\\*ROH | 3.56E-14e 708.00/T | 3.8260E-13 |\n| TRP32 | LIMP2 + MO2 ----> HO2 + 0.750\\*HCHO + 0.250\\*MOH + HOM | 1.0000E-10 | 1.0000E-10 |\n| TRP33 | LIMNP1 + MO2 ----> 0.370\\*HO2 + 0.680\\*HCHO + 0.700\\*LIMAL + 0.700\\*NO2 + 0.320\\*MOH + 0.300\\*TRPN | 3.56E-14e 708.00/T | 3.8260E-13 |\n| TRP34 | LIMNP2 + MO2 ----> 0.750\\*HO2 + 0.750\\*HCHO + 0.750\\*NO2 + 0.250\\*MOH + HOM | 1.0000E-10 | 1.0000E-10 |\n| R267 | ACO3 + MO2 ----> 0.900\\*HO2 + 0.900\\*MO2 + HCHO + 0.100\\*ORA2 | 2.00E-11e 500.00/T | 1.0699E-10 |\n| R268 | RCO3 + MO2 ----> 0.900\\*HO2 + 0.900\\*MO2 + HCHO + 0.100\\*ORA2 | 2.00E-11e 500.00/T | 1.0699E-10 |\n| R269 | ACTP + MO2 ----> 0.500\\*HO2 + 0.500\\*ACO3 + 1.500\\*HCHO + 0.250\\*MOH + 0.250\\*ROH + 0.125\\*ORA2 | 7.50E-13e 500.00/T | 4.0121E-12 |\n| R270 | MEKP + MO2 ----> 0.834\\*HO2 + HCHO + 0.334\\*DCB1 + 0.250\\*MOH + 0.250\\*ROH | 6.91E-13e 508.00/T | 3.7971E-12 |\n| R271 | KETP + MO2 ----> HO2 + 0.750\\*HCHO + 0.500\\*DCB1 + 0.250\\*MOH + 0.250\\*ROH | 6.91E-13e 508.00/T | 3.7971E-12 |\n| R272 | MACP + MO2 ----> 0.500\\*HO2 + 0.269\\*ACO3 + 0.500\\*CO + 1.660\\*HCHO + 0.067\\*ORA2 + 0.250\\*MO2 + 0.250\\*MOH + 0.250\\*ROH | 3.40E-14e 221.00/T | 7.1350E-14 |\n| R273 | MCP + MO2 ----> NO2 + HO2 + 1.500\\*HCHO + 0.500\\*HKET + 0.250\\*MOH + 0.250\\*ROH | 3.40E-14e 221.00/T | 7.1350E-14 |\n| R274 | MVKP + MO2 ----> HO2 + 1.160\\*ACO3 + 1.160\\*XO2 + 1.500\\*HCHO + 1.750\\*ALD + 0.500\\*MGLY + 0.250\\*MOH + 0.250\\*ROH + 0.292\\*ORA2 | 8.3700E-14 | 8.3700E-14 |\n| R275 | UALP + MO2 ----> HO2 + 0.305\\*CO + 0.773\\*HCHO + 0.203\\*ALD + 0.525\\*KET + 0.135\\*GLY + 0.105\\*MGLY + 0.250\\*MOH + 0.250\\*ROH | 3.40E-14e 221.00/T | 7.1350E-14 |\n| R276 | BALP + MO2 ----> HO2 + BAL1 + HCHO | 3.56E-14e 708.00/T | 3.8260E-13 |\n| R277 | BAL1 + MO2 ----> HO2 + BAL2 + HCHO | 3.56E-14e 708.00/T | 3.8260E-13 |\n| R278 | ADDC + MO2 ----> 2.000\\*HO2 + HCHO + 0.320\\*HKET + 0.680\\*GLY + 0.680\\*OP2 | 3.56E-14e 708.00/T | 3.8260E-13 |\n| R279 | MCTP + MO2 ----> HO2 + MCTO + HCHO | 3.56E-14e 708.00/T | 3.8260E-13 |\n| R280 | ORAP + MO2 ----> HCHO + HO2 + GLY | 7.50E-13e 500.00/T | 4.0121E-12 |\n| R281 | OLNN + MO2 ----> 2.000\\*HO2 + HCHO + ONIT | 1.60E-13e 708.00/T | 1.7195E-12 |\n| R282 | OLND + MO2 ----> 0.500\\*HO2 + 0.500\\*NO2 + 0.965\\*HCHO + 0.930\\*ALD + 0.348\\*KET + 0.250\\*MOH + 0.250\\*ROH + 0.500\\*ONIT | 9.68E-14e 708.00/T | 1.0403E-12 |\n| R283 | ADCN + MO2 ----> HO2 + 0.700\\*NO2 + HCHO + 0.700\\*GLY + 0.700\\*OP2 + 0.300\\*ONIT | 3.5600E-14 | 3.5600E-14 |\n| R284 | XO2 + MO2 ----> HO2 + HCHO | 5.99E-15e 1510.00/T | 9.4829E-13 |\n| R285 | ETHP + ACO3 ----> 0.500\\*HO2 + 0.500\\*MO2 + ACD + 0.500\\*ORA2 | 1.03E-12e 211.00/T | 2.0902E-12 |\n| R286 | HC3P + ACO3 ----> 0.394\\*HO2 + 0.580\\*MO2 + 0.026\\*ETHP + 0.026\\*XO2 + 0.130\\*HCHO + 0.273\\*ALD + 0.662\\*KET + 0.067\\*GLY + 0.500\\*ORA2 | 6.90E-13e 460.00/T | 3.2277E-12 |\n| R287 | HC5P + ACO3 ----> 0.342\\*HO2 + 0.518\\*MO2 + 0.140\\*ETHP + 0.191\\*XO2 + 0.042\\*HCHO + 0.381\\*ALD + 0.824\\*KET + 0.500\\*ORA2 | 5.59E-13e 522.00/T | 3.2194E-12 |\n| R289 | ETEP + ACO3 ----> 0.500\\*HO2 + 0.500\\*MO2 + 1.600\\*HCHO + 0.200\\*ALD + 0.500\\*ORA2 | 9.48E-13e 765.00/T | 1.2335E-11 |\n| R290 | OLTP + ACO3 ----> 0.500\\*HO2 + 0.500\\*MO2 + HCHO + 0.940\\*ALD + 0.060\\*KET + 0.500\\*ORA2 | 8.11E-13e 765.00/T | 1.0552E-11 |\n| R291 | OLIP + ACO3 ----> 0.500\\*HO2 + 0.500\\*MO2 + 1.710\\*ALD + 0.290\\*KET + 0.500\\*ORA2 | 5.09E-13e 765.00/T | 6.6228E-12 |\n| ROCARO36 | BENP + ACO3 ----> 0.700\\*MO2 + HO2 + 0.300\\*ORA2 + 0.000\\*BALD + GLY + 0.500\\*FURANONE + 0.250\\*DCB2 + 0.250\\*DCB3 | 7.40E-13e 765.00/T | 9.6284E-12 |\n| ROCARO46 | TOLP + ACO3 ----> 0.700\\*MO2 + 0.915\\*HO2 + 0.300\\*ORA2 + 0.085\\*BALD + 0.549\\*GLY + 0.366\\*MGLY + 0.366\\*FURANONE + 0.549\\*DCB1 | 7.40E-13e 765.00/T | 9.6284E-12 |\n| ROCARO56 | XYMP + ACO3 ----> 0.700\\*MO2 + 0.952\\*HO2 + 0.300\\*ORA2 + 0.048\\*BALD + 0.704\\*GLY + 0.247\\*MGLY + 0.352\\*FURANONE + 0.600\\*DCB2 | 7.40E-13e 765.00/T | 9.6284E-12 |\n| ROCARO66 | XYEP + ACO3 ----> 0.700\\*MO2 + 0.915\\*HO2 + 0.300\\*ORA2 + 0.085\\*BALD + 0.549\\*GLY + 0.366\\*MGLY + 0.457\\*FURANONE + 0.457\\*DCB2 | 7.40E-13e 765.00/T | 9.6284E-12 |\n| R300 | ISOP + ACO3 ----> 0.500\\*HO2 + 0.500\\*MO2 + 1.048\\*HCHO + 0.219\\*MACR + 0.305\\*MVK + 0.500\\*ORA2 | 8.40E-14e 221.00/T | 1.7628E-13 |\n| R301 | APIP1 + ACO3 ----> 0.630\\*HO2 + 0.700\\*MO2 + 0.600\\*PINAL + 0.300\\*ORA2 + 0.070\\*KET + 0.250\\*ROH | 7.40E-13e 765.00/T | 9.6284E-12 |\n| TRP35 | APIP2 + ACO3 ----> 0.500\\*HO + 0.500\\*MO2 + 0.500\\*ORA2 + HOM | 1.0000E-10 | 1.0000E-10 |\n| TRP36 | APINP1 + ACO3 ----> 0.860\\*NO2 + 0.140\\*TRPN + 0.860\\*PINAL + 0.700\\*MO2 + 0.300\\*ORA2 | 7.40E-13e 765.00/T | 9.6284E-12 |\n| TRP37 | APINP2 + ACO3 ----> 0.500\\*NO2 + 0.500\\*MO2 + 0.500\\*ORA2 + HOM | 1.0000E-10 | 1.0000E-10 |\n| R302 | LIMP1 + ACO3 ----> 0.630\\*HO2 + 0.700\\*MO2 + 0.420\\*LIMAL + 0.300\\*KET + 0.300\\*ORA2 + 0.320\\*HCHO + 0.270\\*ROH | 7.40E-13e 765.00/T | 9.6284E-12 |\n| TRP38 | LIMP2 + ACO3 ----> 0.500\\*HO + 0.500\\*MO2 + 0.500\\*ORA2 + HOM | 1.0000E-10 | 1.0000E-10 |\n| TRP39 | LIMNP1 + ACO3 ----> 0.700\\*NO2 + 0.700\\*LIMAL + 0.300\\*TRPN + 0.700\\*MO2 + 0.300\\*ORA2 | 7.40E-13e 765.00/T | 9.6284E-12 |\n| TRP40 | LIMNP2 + ACO3 ----> 0.500\\*MO2 + 0.500\\*NO2 + 0.500\\*ORA2 + HOM | 1.0000E-10 | 1.0000E-10 |\n| R303 | ACO3 + ACO3 ----> 2.000\\*MO2 | 2.50E-12e 500.00/T | 1.3374E-11 |\n| R304 | RCO3 + ACO3 ----> MO2 + ETHP | 2.50E-12e 500.00/T | 1.3374E-11 |\n| R305 | ACTP + ACO3 ----> 0.500\\*MO2 + 0.500\\*ACO3 + HCHO + 0.750\\*ORA2 | 7.51E-13e 565.00/T | 4.9962E-12 |\n| R306 | MEKP + ACO3 ----> 0.330\\*HO2 + 0.500\\*MO2 + 0.330\\*HCHO + 0.334\\*DCB1 + 0.500\\*ORA2 | 7.51E-13e 565.00/T | 4.9962E-12 |\n| R307 | KETP + ACO3 ----> 0.500\\*HO2 + 0.500\\*MO2 + 0.500\\*DCB1 + 0.500\\*ORA2 | 7.51E-13e 565.00/T | 4.9962E-12 |\n| R308 | MACP + ACO3 ----> 0.635\\*ORA2 + 0.500\\*MO2 + 0.269\\*ACO3 + 0.500\\*CO + HCHO | 8.40E-14e 221.00/T | 1.7628E-13 |\n| R309 | MCP + ACO3 ----> NO2 + 0.500\\*HO2 + HCHO + 0.500\\*HKET + 0.500\\*MO2 + 0.500\\*ORA2 | 8.40E-14e 221.00/T | 1.7628E-13 |\n| R310 | MVKP + ACO3 ----> 0.500\\*HO2 + 0.500\\*MO2 + 1.160\\*ACO3 + 1.160\\*XO2 + HCHO + 2.300\\*ALD + 0.500\\*MGLY + 1.083\\*ORA2 | 1.68E-12e 500.00/T | 8.9872E-12 |\n| R311 | UALP + ACO3 ----> 0.500\\*HO2 + 0.500\\*MO2 + 0.500\\*CO + 0.030\\*HCHO + 0.270\\*ALD + 0.700\\*KET + 0.180\\*GLY + 0.105\\*MGLY + 0.500\\*ORA2 | 1.68E-12e 500.00/T | 8.9872E-12 |\n| R312 | BALP + ACO3 ----> MO2 + BAL1 | 7.40E-13e 765.00/T | 9.6284E-12 |\n| R313 | BAL1 + ACO3 ----> MO2 + BAL2 | 7.40E-13e 765.00/T | 9.6284E-12 |\n| R314 | ADDC + ACO3 ----> 2.000\\*HO2 + MO2 + 0.320\\*HKET + 0.680\\*GLY + 0.680\\*OP2 | 7.40E-13e 708.00/T | 7.9529E-12 |\n| R315 | MCTP + ACO3 ----> HO2 + MO2 + MCTO | 7.40E-13e 708.00/T | 7.9529E-12 |\n| R316 | ORAP + ACO3 ----> MO2 + GLY | 7.51E-13e 565.00/T | 4.9962E-12 |\n| R317 | OLNN + ACO3 ----> HO2 + MO2 + ONIT | 8.85E-13e 765.00/T | 1.1515E-11 |\n| R318 | OLND + ACO3 ----> 0.500\\*MO2 + NO2 + 0.287\\*HCHO + 1.240\\*ALD + 0.464\\*KET + 0.500\\*ORA2 | 5.37E-13e 765.00/T | 6.9871E-12 |\n| R319 | ADCN + ACO3 ----> HO2 + MO2 + 0.700\\*NO2 + 0.700\\*GLY + 0.700\\*OP2 + 0.300\\*ONIT | 7.40E-13e 708.00/T | 7.9529E-12 |\n| R320 | XO2 + ACO3 ----> MO2 | 3.40E-14e 1560.00/T | 6.3654E-12 |\n| R321 | RCO3 + RCO3 ----> 2.000\\*ETHP | 2.50E-12e 500.00/T | 1.3374E-11 |\n| R322 | MO2 + NO3 ----> HO2 + HCHO + NO2 | 1.2000E-12 | 1.2000E-12 |\n| R323 | ETHP + NO3 ----> HO2 + NO2 + ACD | 1.2000E-12 | 1.2000E-12 |\n| R324 | HC3P + NO3 ----> 0.254\\*HO2 + 0.140\\*MO2 + 0.092\\*XO2 + 0.503\\*ETHP + NO2 + 0.519\\*ACD + 0.147\\*ALD + 0.075\\*MEK + 0.095\\*ACT | 1.2000E-12 | 1.2000E-12 |\n| R325 | HC5P + NO3 ----> 0.488\\*HO2 + 0.055\\*MO2 + 0.280\\*ETHP + 0.485\\*XO2 + NO2 + 0.024\\*HCHO + 0.241\\*ALD + 0.060\\*KET + 0.063\\*MEK + 0.247\\*ACT + 0.048\\*ACD + 0.275\\*HKET | 1.2000E-12 | 1.2000E-12 |\n| R327 | ETEP + NO3 ----> HO2 + NO2 + 1.600\\*HCHO + 0.200\\*ALD | 1.2000E-12 | 1.2000E-12 |\n| R328 | OLTP + NO3 ----> 0.470\\*ALD + 0.790\\*HCHO + 0.790\\*HO2 + NO2 + 0.180\\*MEK + 0.020\\*ACD + 0.090\\*ACT | 1.2000E-12 | 1.2000E-12 |\n| R329 | OLIP + NO3 ----> 0.860\\*HO2 + 0.720\\*ALD + 0.110\\*KET + NO2 + 0.200\\*ACT + 0.850\\*ACD + 0.040\\*HKET | 1.2000E-12 | 1.2000E-12 |\n| ROCARO34 | BENP + NO3 ----> NO2 + HO2 + 0.000\\*BALD + GLY + 0.500\\*FURANONE + 0.250\\*DCB2 + 0.250\\*DCB3 | 2.3000E-12 | 2.3000E-12 |\n| ROCARO44 | TOLP + NO3 ----> NO2 + 0.915\\*HO2 + 0.085\\*BALD + 0.549\\*GLY + 0.366\\*MGLY + 0.366\\*FURANONE + 0.549\\*DCB1 | 2.3000E-12 | 2.3000E-12 |\n| ROCARO54 | XYMP + NO3 ----> NO2 + 0.952\\*HO2 + 0.048\\*BALD + 0.704\\*GLY + 0.247\\*MGLY + 0.352\\*FURANONE + 0.600\\*DCB2 | 2.3000E-12 | 2.3000E-12 |\n| ROCARO64 | XYEP + NO3 ----> NO2 + 0.915\\*HO2 + 0.085\\*BALD + 0.549\\*GLY + 0.366\\*MGLY + 0.457\\*FURANONE + 0.457\\*DCB2 | 2.3000E-12 | 2.3000E-12 |\n| R338 | ISOP + NO3 ----> HO2 + NO2 + 0.750\\*HCHO + 0.318\\*MACR + 0.500\\*MVK + 0.024\\*GLY + 0.033\\*HKET + 0.031\\*ALD | 1.2000E-12 | 1.2000E-12 |\n| R339 | APIP1 + NO3 ----> HO2 + NO2 + ALD + KET | 1.2000E-12 | 1.2000E-12 |\n| R340 | LIMP1 + NO3 ----> HO2 + NO2 + 0.385\\*OLI + 0.385\\*HCHO + 0.615\\*MACR | 1.2000E-12 | 1.2000E-12 |\n| R341 | ACO3 + NO3 ----> MO2 + NO2 | 4.0000E-12 | 4.0000E-12 |\n| R342 | RCO3 + NO3 ----> ETHP + NO2 | 4.0000E-12 | 4.0000E-12 |\n| R343 | ACTP + NO3 ----> ACO3 + NO2 + HCHO | 1.2000E-12 | 1.2000E-12 |\n| R344 | MEKP + NO3 ----> 0.670\\*HO2 + NO2 + 0.330\\*HCHO + 0.670\\*DCB1 | 1.2000E-12 | 1.2000E-12 |\n| R345 | KETP + NO3 ----> HO2 + NO2 + DCB1 | 1.2000E-12 | 1.2000E-12 |\n| R346 | MACP + NO3 ----> HCHO + 0.538\\*ACO3 + CO + NO2 | 1.2000E-12 | 1.2000E-12 |\n| R347 | MCP + NO3 ----> NO2 + HO2 + HCHO + HKET | 1.2000E-12 | 1.2000E-12 |\n| R348 | MVKP + NO3 ----> 0.300\\*HO2 + 0.700\\*ACO3 + 0.700\\*XO2 + NO2 + 0.300\\*HCHO + 0.700\\*ALD + 0.300\\*MGLY | 2.5000E-12 | 2.5000E-12 |\n| R349 | UALP + NO3 ----> HO2 + NO2 + 0.610\\*CO + 0.030\\*HCHO + 0.270\\*ALD + 0.700\\*KET + 0.180\\*GLY + 0.210\\*MGLY | 2.5000E-12 | 2.5000E-12 |\n| R350 | BALP + NO3 ----> BAL1 + NO2 | 2.5000E-12 | 2.5000E-12 |\n| R351 | BAL1 + NO3 ----> BAL2 + NO2 | 2.5000E-12 | 2.5000E-12 |\n| R352 | ADDC + NO3 ----> HO2 + NO2 + 0.320\\*HKET + 0.680\\*GLY + 0.680\\*OP2 | 1.2000E-12 | 1.2000E-12 |\n| R353 | MCTP + NO3 ----> NO2 + MCTO | 1.2000E-12 | 1.2000E-12 |\n| R354 | ORAP + NO3 ----> NO2 + GLY + HO2 | 1.2000E-12 | 1.2000E-12 |\n| R355 | OLNN + NO3 ----> HO2 + NO2 + ONIT | 1.2000E-12 | 1.2000E-12 |\n| R356 | OLND + NO3 ----> 2.000\\*NO2 + 0.287\\*HCHO + 1.240\\*ALD + 0.464\\*KET | 1.2000E-12 | 1.2000E-12 |\n| R357 | ADCN + NO3 ----> 2.000\\*NO2 + GLY + OP2 | 1.2000E-12 | 1.2000E-12 |\n| R358 | OLNN + OLNN ----> HO2 + 2.000\\*ONIT | 7.00E-14e 1000.00/T | 2.0032E-12 |\n| R359 | OLNN + OLND ----> 0.500\\*HO2 + 0.500\\*NO2 + 0.202\\*HCHO + 0.640\\*ALD + 0.149\\*KET + 1.500\\*ONIT | 4.25E-14e 1000.00/T | 1.2162E-12 |\n| R360 | OLND + OLND ----> NO2 + 0.504\\*HCHO + 1.210\\*ALD + 0.285\\*KET + ONIT | 2.96E-14e 1000.00/T | 8.4708E-13 |\n| R361 | XO2 + NO3 ----> NO2 | 1.2000E-12 | 1.2000E-12 |\n| R362 | XO2 + RCO3 ----> ETHP | 2.50E-12e 500.00/T | 1.3374E-11 |\n| R363 | XO2 + XO2 ----> | 7.13E-17e 2950.00/T | 1.4130E-12 |\n| TRP41 | APIP2 + APIP1 ----> 0.960\\*HOM + 0.480\\*ROH + 0.480\\*PINAL + 0.480\\*HO + 0.480\\*HO2 + 0.040\\*ELHOM | 1.0000E-10 | 1.0000E-10 |\n| TRP42 | APIP2 + LIMP1 ----> 0.960\\*HOM + 0.480\\*ROH + 0.480\\*LIMAL + 0.480\\*HO + 0.480\\*HO2 + 0.040\\*ELHOM | 1.0000E-10 | 1.0000E-10 |\n| TRP43 | APIP2 + ISOP ----> 0.960\\*HOM + 0.480\\*ROH + 0.480\\*HCHO + 0.480\\*MVK + 0.480\\*HO + 0.480\\*HO2 + 0.040\\*ELHOM | 1.0000E-10 | 1.0000E-10 |\n| TRP44 | LIMP2 + APIP1 ----> 0.960\\*HOM + 0.480\\*ROH + 0.480\\*PINAL + 0.480\\*HO + 0.480\\*HO2 + 0.040\\*ELHOM | 1.0000E-10 | 1.0000E-10 |\n| TRP45 | LIMP2 + LIMP1 ----> 0.960\\*HOM + 0.480\\*ROH + 0.480\\*LIMAL + 0.480\\*HO + 0.480\\*HO2 + 0.040\\*ELHOM | 1.0000E-10 | 1.0000E-10 |\n| TRP46 | LIMP2 + ISOP ----> 0.960\\*HOM + 0.480\\*ROH + 0.480\\*HCHO + 0.480\\*MVK + 0.480\\*HO + 0.480\\*HO2 + 0.040\\*ELHOM | 1.0000E-10 | 1.0000E-10 |\n| TRP47 | APINP2 + APIP1 ----> 0.960\\*HOM + 0.480\\*ROH + 0.480\\*PINAL + 0.480\\*NO2 + 0.480\\*HO2 + 0.040\\*ELHOM | 1.0000E-10 | 1.0000E-10 |\n| TRP48 | APINP2 + LIMP1 ----> 0.960\\*HOM + 0.480\\*ROH + 0.480\\*LIMAL + 0.480\\*NO2 + 0.480\\*HO2 + 0.040\\*ELHOM | 1.0000E-10 | 1.0000E-10 |\n| TRP49 | APINP2 + ISOP ----> 0.960\\*HOM + 0.480\\*ROH + 0.480\\*HCHO + 0.480\\*MVK + 0.480\\*NO2 + 0.480\\*HO2 + 0.040\\*ELHOM | 1.0000E-10 | 1.0000E-10 |\n| TRP50 | LIMNP2 + APIP1 ----> 0.960\\*HOM + 0.480\\*ROH + 0.480\\*PINAL + 0.480\\*NO2 + 0.480\\*HO2 + 0.040\\*ELHOM | 1.0000E-10 | 1.0000E-10 |\n| TRP51 | LIMNP2 + LIMP1 ----> 0.960\\*HOM + 0.480\\*ROH + 0.480\\*LIMAL + 0.480\\*NO2 + 0.480\\*HO2 + 0.040\\*ELHOM | 1.0000E-10 | 1.0000E-10 |\n| TRP52 | LIMNP2 + ISOP ----> 0.960\\*HOM + 0.480\\*ROH + 0.480\\*HCHO + 0.480\\*MVK + 0.480\\*NO2 + 0.480\\*HO2 + 0.040\\*ELHOM | 1.0000E-10 | 1.0000E-10 |\n| SA14 | IEPOX + HO ----> HO | 5.78E-11e -400.00/T | 1.5110E-11 |\n| R001c | VROCIOXY + HO ----> 0.852\\*ETHP + 0.149\\*ASOATJ | 6.8900E-12 | 6.8900E-12 |\n| R002c | SLOWROC + HO ----> ETHP + 0.001\\*ASOATJ | 6.5500E-14 | 6.5500E-14 |\n| T17 | ACRO + HO ----> 0.570\\*MACP + 0.430\\*MCP | 8.00E-12e 380.00/T | 2.8616E-11 |\n| T18 | ACRO + O3 ----> 0.840\\*CO + 0.560\\*HO2 + 0.280\\*HO + 0.720\\*HCHO + 0.620\\*GLY | 2.9000E-19 | 2.9000E-19 |\n| T19 | ACRO + NO3 ----> 0.680\\*HCHO + 0.320\\*MACP + 0.680\\*XO2 + 0.680\\*MGLY + 0.320\\*HNO3 + 0.680\\*NO2 | 3.4000E-15 | 3.4000E-15 |\n| T20 | ACRO ----> CO + 0.477\\*HO2 + 0.250\\*ETE + 0.354\\*ACO3 + 0.204\\*HO + 0.150\\*HCHO + 0.027\\*MO2 | ACRO_09 | Not Available1 | \n| T10 | BDE13 + HO ----> 0.667\\*BDE13P + 0.333\\*UALD + 0.333\\*HO2 | 1.48E-11e 448.00/T | 6.6502E-11 |\n| T10a | BDE13P + NO ----> 0.968\\*HO2 + 0.968\\*NO2 + 0.895\\*ACRO + 0.895\\*HCHO + 0.072\\*FURAN + 0.032\\*ONIT | 9.0500E-12 | 9.0500E-12 |\n| T10b | BDE13P + NO3 ----> HO2 + NO2 + 0.925\\*ACRO + 0.925\\*HCHO + 0.075\\*FURAN | 2.3000E-12 | 2.3000E-12 |\n| T10c | BDE13P + HO2 ----> OP2 | 1.6100E-11 | 1.6100E-11 |\n| T10d | BDE13P + MO2 ----> 0.320\\*MOH + 1.143\\*HCHO + 0.870\\*HO2 + 0.463\\*ACRO + 0.250\\*OLT + 0.231\\*MVK + 0.037\\*FURAN + 0.019\\*UALD | 2.3900E-12 | 2.3900E-12 |\n| T10e | BDE13P + ACO3 ----> 0.700\\*MO2 + 0.300\\*ORA2 + 0.800\\*HO2 + 0.740\\*ACRO + 0.740\\*HCHO + 0.185\\*MVK + 0.060\\*FURAN + 0.015\\*UALD | 1.3700E-11 | 1.3700E-11 |\n| T11 | BDE13 + O3 ----> 0.620\\*ACRO + 0.630\\*CO + 0.420\\*HO2 + 0.080\\*HO + 0.830\\*HCHO + 0.170\\*ETE | 1.34E-14e -2283.00/T | 6.3331E-18 |\n| T12 | BDE13 + NO3 ----> 0.900\\*OLNN + 0.100\\*OLND + 0.900\\*ACRO | 1.0000E-13 | 1.0000E-13 |\n| R003c | FURAN + HO ----> 0.490\\*DCB1 + 0.490\\*HO2 + 0.510\\*FURANO2 | 5.0100E-11 | 5.0100E-11 |\n| R004c | FURANO2 + NO ----> 0.080\\*ONIT + 0.920\\*NO2 + 0.920\\*FURANONE + 0.750\\*HO2 + 0.170\\*MO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| R005c | FURANO2 + HO2 ----> 0.600\\*OP2 + 0.400\\*FURANONE + 0.400\\*HO + 0.320\\*HO2 + 0.080\\*MO2 | 3.75E-13e 980.00/T | 1.0035E-11 |\n| R006c | FURANONE + HO ----> 0.650\\*KET + 0.310\\*GLY + 0.660\\*HO2 + 0.340\\*MO2 + 0.430\\*CO + 0.040\\*ASOATJ | 4.4000E-11 | 4.4000E-11 |\n| R007c | FURAN + O3 ----> 0.020\\*HO + ALD | 3.4300E-17 | 3.4300E-17 |\n| R008c | FURAN + NO3 ----> NO2 + 0.800\\*DCB1 + 0.200\\*DCB3 | 8.9900E-12 | 8.9900E-12 |\n| R010c | PROG + HO ----> 0.613\\*HKET + 0.387\\*ALD + HO2 | 1.2000E-11 | 1.2000E-11 |\n| R011c | SESQ + NO3 ----> SESQNRO2 | 1.9000E-11 | 1.9000E-11 |\n| R012c | SESQNRO2 + HO2 ----> VROCP0OXY4 | 2.84E-13e 1300.00/T | 2.2230E-11 |\n| R013c | SESQNRO2 + NO ----> VROCP3OXY2 + 2.000\\*NO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| R014c | SESQNRO2 + NO3 ----> VROCP3OXY2 + 2.000\\*NO2 | 2.3000E-12 | 2.3000E-12 |\n| R015c | SESQ + O3 ----> 0.982\\*VROCP3OXY2 + 0.018\\*VROCN2OXY2 | 1.2000E-14 | 1.2000E-14 |\n| R016c | SESQ + HO ----> SESQRO2 | 1.9700E-10 | 1.9700E-10 |\n| R017c | SESQRO2 + HO2 ----> VROCP0OXY2 | 2.84E-13e 1300.00/T | 2.2230E-11 |\n| R019c | SESQRO2 + NO3 ----> VROCP3OXY2 | 2.3000E-12 | 2.3000E-12 |\n| R020c | SESQRO2 + NO ----> 0.247\\*VROCP1OXY3 + 0.753\\*VROCP3OXY2 + 0.753\\*NO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| HET_GLY | GLY ----> AGLYJ | HETERO_GLY | Not Available2 | \n| HET_MGLY | MGLY ----> AGLYJ | HETERO_MGLY | Not Available2 | \n| HET_N2O5 | N2O5 ----> 2.000\\*HNO3 | HETERO_N2O5IJ | Not Available2 | \n| HET_N02 | NO2 ----> 0.500\\*HONO + 0.500\\*HNO3 | HETERO_NO2 | Not Available2 | \n| HAL_Ozone | O3 ----> | SEAWATER*min( 6.701E-11e 1.074E+01P+ 3.415E-08e-6.713E-01P,
2.000E-06) | 2.0000E-064| \n| HET_IEPOX | IEPOX ----> IEPOXP | HETERO_IEPOX | Not Available2 | \n| HET_ISO3TET | IEPOXP ----> AISO3NOSJ | HETERO_ISO3NOSJ | Not Available2 | \n| HET_IEPOXOS | IEPOXP + ASO4J ----> AISO3OSJ | HETERO_ISO3OSJ | Not Available2 | \n| ROCALK1c | VROCP6ALK + HO ----> VROCP6ALKP | 1.5300E-11 | 1.5300E-11 |\n| ROCALK2c | VROCP5ALK + HO ----> VROCP5ALKP | 1.6800E-11 | 1.6800E-11 |\n| ROCALK3c | VROCP4ALK + HO ----> VROCP4ALKP | 2.2400E-11 | 2.2400E-11 |\n| ROCALK4c | VROCP3ALK + HO ----> VROCP3ALKP | 2.6700E-11 | 2.6700E-11 |\n| ROCALK5c | VROCP2ALK + HO ----> VROCP2ALKP | 3.0900E-11 | 3.0900E-11 |\n| ROCALK6c | VROCP1ALK + HO ----> VROCP1ALKP | 3.3800E-11 | 3.3800E-11 |\n| HC1001 | HC10 + HO ----> HC10P | 1.1000E-11 | 1.1000E-11 |\n| ROCALK7c | VROCP6ALKP + NO ----> 0.720\\*VROCP6ALKP2 + 0.280\\*VROCP4OXY2 + 0.720\\*NO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| ROCALK8c | VROCP5ALKP + NO ----> 0.720\\*VROCP5ALKP2 + 0.280\\*VROCP3OXY2 + 0.720\\*NO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| ROCALK9c | VROCP4ALKP + NO ----> 0.720\\*VROCP4ALKP2 + 0.280\\*VROCP2OXY2 + 0.720\\*NO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| ROCALK10c | VROCP3ALKP + NO ----> 0.720\\*VROCP3ALKP2 + 0.280\\*VROCP1OXY1 + 0.720\\*NO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| ROCALK11c | VROCP2ALKP + NO ----> 0.720\\*VROCP2ALKP2 + 0.280\\*VROCP0OXY2 + 0.720\\*NO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| ROCALK12c | VROCP1ALKP + NO ----> 0.720\\*VROCP1ALKP2 + 0.280\\*VROCN1OXY1 + 0.720\\*NO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| HC1002 | HC10P + NO ----> 0.740\\*HC10P2 + 0.260\\*ONIT + 0.740\\*NO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| ROCALK13c | VROCP6ALKP + NO3 ----> VROCP6ALKP2 + NO2 | 2.3000E-12 | 2.3000E-12 |\n| ROCALK14c | VROCP5ALKP + NO3 ----> VROCP5ALKP2 + NO2 | 2.3000E-12 | 2.3000E-12 |\n| ROCALK15c | VROCP4ALKP + NO3 ----> VROCP4ALKP2 + NO2 | 2.3000E-12 | 2.3000E-12 |\n| ROCALK16c | VROCP3ALKP + NO3 ----> VROCP3ALKP2 + NO2 | 2.3000E-12 | 2.3000E-12 |\n| ROCALK17c | VROCP2ALKP + NO3 ----> VROCP2ALKP2 + NO2 | 2.3000E-12 | 2.3000E-12 |\n| ROCALK18c | VROCP1ALKP + NO3 ----> VROCP1ALKP2 + NO2 | 2.3000E-12 | 2.3000E-12 |\n| HC1003 | HC10P + NO3 ----> HC10P2 + NO2 | 2.3000E-12 | 2.3000E-12 |\n| ROCALK19c | VROCP6ALKP + HO2 ----> VROCP3OXY2 | 2.1700E-11 | 2.1700E-11 |\n| ROCALK20c | VROCP5ALKP + HO2 ----> VROCP2OXY2 | 2.2000E-11 | 2.2000E-11 |\n| ROCALK21c | VROCP4ALKP + HO2 ----> VROCP1OXY1 | 2.2500E-11 | 2.2500E-11 |\n| ROCALK22c | VROCP3ALKP + HO2 ----> VROCP0OXY2 | 2.2600E-11 | 2.2600E-11 |\n| ROCALK23c | VROCP2ALKP + HO2 ----> VROCN1OXY1 | 2.2700E-11 | 2.2700E-11 |\n| ROCALK24c | VROCP1ALKP + HO2 ----> VROCN2OXY2 | 2.2700E-11 | 2.2700E-11 |\n| HC1004 | HC10P + HO2 ----> OP2 | 2.66E-13e 1300.00/T | 2.0821E-11 |\n| ROCALK25c | VROCP6ALKP2 ----> HO2 + VROCP3OXY2 | 1.8800E-01 | 1.8800E-01 |\n| ROCALK26c | VROCP5ALKP2 ----> HO2 + VROCP2OXY2 | 1.8800E-01 | 1.8800E-01 |\n| ROCALK27c | VROCP4ALKP2 ----> HO2 + VROCP1OXY1 | 1.8800E-01 | 1.8800E-01 |\n| ROCALK28c | VROCP3ALKP2 ----> HO2 + VROCP0OXY2 | 1.8800E-01 | 1.8800E-01 |\n| ROCALK29c | VROCP2ALKP2 ----> HO2 + VROCN1OXY1 | 1.8800E-01 | 1.8800E-01 |\n| ROCALK30c | VROCP1ALKP2 ----> HO2 + VROCN2OXY2 | 1.8800E-01 | 1.8800E-01 |\n| HC1005 | HC10P2 ----> HO2 + VROCP4OXY2 | 1.8800E-01 | 1.8800E-01 |\n| ROCALK31c | VROCP6ALKP2 + NO ----> 0.140\\*VROCP2OXY2 + 0.860\\*NO2 + 0.860\\*VROCP3OXY2 + 0.860\\*HO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| ROCALK32c | VROCP5ALKP2 + NO ----> 0.140\\*VROCP1OXY3 + 0.860\\*NO2 + 0.860\\*VROCP2OXY2 + 0.860\\*HO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| ROCALK33c | VROCP4ALKP2 + NO ----> 0.140\\*VROCP0OXY2 + 0.860\\*NO2 + 0.860\\*VROCP1OXY1 + 0.860\\*HO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| ROCALK34c | VROCP3ALKP2 + NO ----> 0.140\\*VROCN1OXY1 + 0.860\\*NO2 + 0.860\\*VROCP0OXY2 + 0.860\\*HO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| ROCALK35c | VROCP2ALKP2 + NO ----> 0.140\\*VROCN2OXY2 + 0.860\\*NO2 + 0.860\\*VROCN1OXY1 + 0.860\\*HO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| ROCALK36c | VROCP1ALKP2 + NO ----> VROCN2OXY2 + 0.860\\*NO2 + 0.860\\*HO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| HC1006 | HC10P2 + NO ----> 0.120\\*ONIT + 0.880\\*NO2 + 0.880\\*KET + 0.880\\*HO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| ROCALK37c | VROCP6ALKP2 + NO3 ----> NO2 + VROCP3OXY2 + HO2 | 2.3000E-12 | 2.3000E-12 |\n| ROCALK38c | VROCP5ALKP2 + NO3 ----> NO2 + VROCP2OXY2 + HO2 | 2.3000E-12 | 2.3000E-12 |\n| ROCALK39c | VROCP4ALKP2 + NO3 ----> NO2 + VROCP1OXY1 + HO2 | 2.3000E-12 | 2.3000E-12 |\n| ROCALK40c | VROCP3ALKP2 + NO3 ----> NO2 + VROCP0OXY2 + HO2 | 2.3000E-12 | 2.3000E-12 |\n| ROCALK41c | VROCP2ALKP2 + NO3 ----> NO2 + VROCN1OXY1 + HO2 | 2.3000E-12 | 2.3000E-12 |\n| ROCALK42c | VROCP1ALKP2 + NO3 ----> NO2 + VROCN2OXY2 + HO2 | 2.3000E-12 | 2.3000E-12 |\n| HC1007 | HC10P2 + NO3 ----> NO2 + KET + HO2 | 2.3000E-12 | 2.3000E-12 |\n| ROCALK43c | VROCP6ALKP2 + HO2 ----> VROCP1OXY3 | 2.1700E-11 | 2.1700E-11 |\n| ROCALK44c | VROCP5ALKP2 + HO2 ----> VROCP0OXY2 | 2.2000E-11 | 2.2000E-11 |\n| ROCALK45c | VROCP4ALKP2 + HO2 ----> VROCN1OXY1 | 2.2500E-11 | 2.2500E-11 |\n| ROCALK46c | VROCP3ALKP2 + HO2 ----> VROCN2OXY2 | 2.2600E-11 | 2.2600E-11 |\n| ROCALK47c | VROCP2ALKP2 + HO2 ----> VROCN2OXY2 | 2.2700E-11 | 2.2700E-11 |\n| ROCALK48c | VROCP1ALKP2 + HO2 ----> VROCN2OXY2 | 2.2700E-11 | 2.2700E-11 |\n| HC1008 | HC10P2 + HO2 ----> VROCP2OXY2 | 2.66E-13e 1300.00/T | 2.0821E-11 |\n| ROCARO01 | VROCP6ARO + HO ----> 0.840\\*VROCP6AROP + 0.160\\*HO2 + 0.160\\*VROCP4OXY2 | 1.8100E-11 | 1.8100E-11 |\n| ROCARO02 | VROCP6AROP + HO2 ----> 0.059\\*VROCP4OXY2 + 0.905\\*VROCP1OXY3 + 0.036\\*VROCN2OXY4 | 2.91E-13e 1300.00/T | 2.2778E-11 |\n| ROCARO03 | VROCP6AROP + NO ----> 0.000\\*VROCP4OXY2 + 0.002\\*VROCP2OXY2 + 0.000\\*VROCN1OXY3 + 0.998\\*NO2 + 0.998\\*HO2 + 0.059\\*BALD + 0.469\\*GLY + 0.469\\*MGLY + 0.469\\*FURANONE + 0.469\\*DCB2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| ROCARO04 | VROCP6AROP + NO3 ----> NO2 + 0.941\\*HO2 + 0.059\\*BALD + 0.470\\*GLY + 0.470\\*MGLY + 0.470\\*FURANONE + 0.470\\*DCB2 | 2.3000E-12 | 2.3000E-12 |\n| ROCARO05 | VROCP6AROP + MO2 ----> 0.680\\*HCHO + 1.310\\*HO2 + 0.320\\*MOH + 0.059\\*BALD + 0.470\\*GLY + 0.470\\*MGLY + 0.470\\*FURANONE + 0.470\\*DCB2 | 3.56E-14e 708.00/T | 3.8260E-13 |\n| ROCARO06 | VROCP6AROP + ACO3 ----> 0.700\\*MO2 + 0.941\\*HO2 + 0.300\\*ORA2 + 0.059\\*BALD + 0.470\\*GLY + 0.470\\*MGLY + 0.470\\*FURANONE + 0.470\\*DCB2 | 7.40E-13e 765.00/T | 9.6284E-12 |\n| ROCARO11 | VROCP5ARO + HO ----> 0.840\\*VROCP5AROP + 0.160\\*HO2 + 0.160\\*VROCP3OXY2 | 1.8100E-11 | 1.8100E-11 |\n| ROCARO12 | VROCP5AROP + HO2 ----> 0.059\\*VROCP3OXY2 + 0.905\\*VROCP0OXY2 + 0.036\\*VROCN2OXY4 | 2.91E-13e 1300.00/T | 2.2778E-11 |\n| ROCARO13 | VROCP5AROP + NO ----> 0.000\\*VROCP3OXY2 + 0.002\\*VROCP1OXY3 + 0.000\\*VROCN2OXY4 + 0.998\\*NO2 + 0.998\\*HO2 + 0.059\\*VROCP4OXY2 + 0.469\\*GLY + 0.469\\*MGLY + 0.469\\*FURANONE + 0.469\\*DCB2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| ROCARO14 | VROCP5AROP + NO3 ----> NO2 + 0.941\\*HO2 + 0.059\\*VROCP4OXY2 + 0.470\\*GLY + 0.470\\*MGLY + 0.470\\*FURANONE + 0.470\\*DCB2 | 2.3000E-12 | 2.3000E-12 |\n| ROCARO15 | VROCP5AROP + MO2 ----> 0.680\\*HCHO + 1.310\\*HO2 + 0.320\\*MOH + 0.059\\*VROCP4OXY2 + 0.470\\*GLY + 0.470\\*MGLY + 0.470\\*FURANONE + 0.470\\*DCB2 | 3.56E-14e 708.00/T | 3.8260E-13 |\n| ROCARO16 | VROCP5AROP + ACO3 ----> 0.700\\*MO2 + 0.941\\*HO2 + 0.300\\*ORA2 + 0.059\\*VROCP4OXY2 + 0.470\\*GLY + 0.470\\*MGLY + 0.470\\*FURANONE + 0.470\\*DCB2 | 7.40E-13e 765.00/T | 9.6284E-12 |\n| ROCARO21 | NAPH + HO ----> 0.840\\*NAPHP + 0.160\\*HO2 + 0.160\\*VROCP3OXY2 | 2.3100E-11 | 2.3100E-11 |\n| ROCARO22 | NAPHP + HO2 ----> 0.059\\*VROCP3OXY2 + 0.905\\*VROCP1OXY3 + 0.036\\*VROCN2OXY8 | 2.91E-13e 1300.00/T | 2.2778E-11 |\n| ROCARO23 | NAPHP + NO ----> 0.060\\*VROCP4OXY2 + 0.002\\*VROCP2OXY2 + 0.000\\*VROCN2OXY8 + 0.998\\*NO2 + 0.998\\*HO2 + 0.469\\*GLY + 0.469\\*MGLY + 0.469\\*FURANONE + 0.469\\*DCB2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| ROCARO24 | NAPHP + NO3 ----> NO2 + 0.941\\*HO2 + 0.059\\*VROCP4OXY2 + 0.470\\*GLY + 0.470\\*MGLY + 0.470\\*FURANONE + 0.470\\*DCB2 | 2.3000E-12 | 2.3000E-12 |\n| ROCARO25 | NAPHP + MO2 ----> 0.680\\*HCHO + 1.310\\*HO2 + 0.320\\*MOH + 0.059\\*VROCP4OXY2 + 0.470\\*GLY + 0.470\\*MGLY + 0.470\\*FURANONE + 0.470\\*DCB2 | 3.56E-14e 708.00/T | 3.8260E-13 |\n| ROCARO26 | NAPHP + ACO3 ----> 0.700\\*MO2 + 0.941\\*HO2 + 0.300\\*ORA2 + 0.059\\*VROCP4OXY2 + 0.470\\*GLY + 0.470\\*MGLY + 0.470\\*FURANONE + 0.470\\*DCB2 | 7.40E-13e 765.00/T | 9.6284E-12 |\n| ROCOXY1c | VROCN2OXY8 + HO ----> HO + 0.085\\*VROCN2OXY8 + 0.258\\*DCB1 + 0.258\\*MEK + 0.258\\*ACD + 0.258\\*ALD + 0.258\\*MO2 + 0.258\\*ETHP + 0.258\\*HC3P + 0.258\\*MEKP | 5.9000E-11 | 5.9000E-11 |\n| ROCOXY2c | VROCN2OXY4 + HO ----> HO + 0.464\\*VROCN2OXY8 + 0.198\\*VROCN2OXY4 + 0.012\\*VROCN1OXY6 + 0.015\\*VROCN1OXY3 + 0.062\\*VROCP0OXY4 + 0.039\\*VROCP1OXY3 + 0.049\\*VROCP2OXY2 + 0.040\\*VROCP3OXY2 + 0.018\\*VROCP4OXY2 + 0.031\\*OP3 + 0.004\\*OP2 + 0.079\\*DCB1 + 0.079\\*MEK + 0.079\\*KET + 0.079\\*ACD + 0.079\\*ALD + 0.079\\*MO2 + 0.079\\*ETHP + 0.079\\*HC3P + 0.079\\*MEKP + 0.079\\*HC5P + 0.079\\*KETP | 6.0700E-11 | 6.0700E-11 |\n| ROCOXY3c | VROCN2OXY2 + HO ----> HO + 0.104\\*VROCN2OXY8 + 0.564\\*VROCN2OXY4 + 0.214\\*VROCN2OXY2 + 0.015\\*VROCN1OXY6 + 0.030\\*VROCN1OXY3 + 0.010\\*VROCN1OXY1 + 0.019\\*VROCP0OXY4 + 0.046\\*VROCP0OXY2 + 0.031\\*VROCP1OXY3 + 0.020\\*VROCP1OXY1 + 0.046\\*VROCP2OXY2 + 0.045\\*VROCP3OXY2 + 0.045\\*VROCP4OXY2 + 0.033\\*VROCP5OXY1 + 0.037\\*VROCP6OXY1 + 0.003\\*OP3 + 0.039\\*DCB1 + 0.039\\*HKET + 0.039\\*MEK + 0.039\\*ACD + 0.039\\*ALD + 0.039\\*MO2 + 0.039\\*ETHP + 0.039\\*HC3P + 0.039\\*MEKP + 0.092\\*HC5P | 5.5400E-11 | 5.5400E-11 |\n| ROCOXY4c | VROCN1OXY6 + HO ----> HO + 0.204\\*VROCN2OXY8 + 0.007\\*VROCN2OXY4 + 0.184\\*DCB1 + 0.184\\*MEK + 0.184\\*KET + 0.184\\*ACD + 0.184\\*ALD + 0.184\\*MO2 + 0.184\\*ETHP + 0.184\\*HC3P + 0.184\\*MEKP + 0.184\\*HC5P | 5.6300E-11 | 5.6300E-11 |\n| ROCOXY5c | VROCN1OXY3 + HO ----> HO + 0.279\\*VROCN2OXY8 + 0.403\\*VROCN2OXY4 + 0.009\\*VROCN2OXY2 + 0.032\\*VROCN1OXY6 + 0.008\\*VROCN1OXY3 + 0.019\\*VROCP0OXY4 + 0.010\\*VROCP0OXY2 + 0.051\\*VROCP1OXY3 + 0.007\\*VROCP1OXY1 + 0.051\\*VROCP2OXY2 + 0.046\\*VROCP3OXY2 + 0.051\\*VROCP4OXY2 + 0.014\\*VROCP5OXY1 + 0.013\\*OP2 + 0.065\\*DCB1 + 0.065\\*HKET + 0.065\\*MEK + 0.065\\*ACD + 0.065\\*ALD + 0.065\\*MO2 + 0.065\\*ETHP + 0.065\\*HC3P + 0.065\\*MEKP + 0.175\\*HC5P | 5.4600E-11 | 5.4600E-11 |\n| ROCOXY6c | VROCN1OXY1 + HO ----> HO + 0.007\\*VROCN2OXY8 + 0.119\\*VROCN2OXY4 + 0.726\\*VROCN2OXY2 + 0.012\\*VROCN1OXY6 + 0.030\\*VROCN1OXY3 + 0.007\\*VROCN1OXY1 + 0.029\\*VROCP0OXY4 + 0.045\\*VROCP0OXY2 + 0.023\\*VROCP1OXY3 + 0.035\\*VROCP1OXY1 + 0.062\\*VROCP2OXY2 + 0.052\\*VROCP3OXY2 + 0.051\\*VROCP4OXY2 + 0.035\\*VROCP5OXY1 + 0.075\\*VROCP6OXY1 + 0.016\\*OP3 + 0.006\\*OP2 + 0.024\\*DCB1 + 0.024\\*HKET + 0.024\\*MEK + 0.024\\*ACD + 0.024\\*ALD + 0.024\\*MO2 + 0.024\\*ETHP + 0.024\\*HC3P + 0.024\\*MEKP + 0.054\\*HC5P | 4.5000E-11 | 4.5000E-11 |\n| ROCOXY7c | VROCP0OXY4 + HO ----> HO + 0.282\\*VROCN2OXY8 + 0.117\\*VROCN2OXY4 + 0.032\\*VROCN1OXY6 + 0.018\\*VROCN1OXY3 + 0.001\\*VROCP0OXY4 + 0.066\\*VROCP2OXY2 + 0.053\\*VROCP3OXY2 + 0.025\\*VROCP4OXY2 + 0.005\\*OP2 + 0.107\\*DCB1 + 0.107\\*MEK + 0.107\\*KET + 0.107\\*ACD + 0.107\\*ALD + 0.107\\*MO2 + 0.107\\*ETHP + 0.107\\*HC3P + 0.107\\*MEKP + 0.107\\*HC5P + 0.107\\*KETP | 5.1700E-11 | 5.1700E-11 |\n| ROCOXY8c | VROCP0OXY2 + HO ----> HO + 0.066\\*VROCN2OXY8 + 0.458\\*VROCN2OXY4 + 0.116\\*VROCN2OXY2 + 0.033\\*VROCN1OXY6 + 0.066\\*VROCN1OXY3 + 0.005\\*VROCN1OXY1 + 0.031\\*VROCP0OXY4 + 0.002\\*VROCP0OXY2 + 0.040\\*VROCP1OXY3 + 0.021\\*VROCP1OXY1 + 0.054\\*VROCP2OXY2 + 0.052\\*VROCP3OXY2 + 0.052\\*VROCP4OXY2 + 0.037\\*VROCP5OXY1 + 0.042\\*VROCP6OXY1 + 0.011\\*OP3 + 0.044\\*DCB1 + 0.044\\*HKET + 0.044\\*MEK + 0.044\\*ACD + 0.044\\*ALD + 0.044\\*MO2 + 0.044\\*ETHP + 0.044\\*HC3P + 0.044\\*MEKP + 0.105\\*HC5P | 4.7300E-11 | 4.7300E-11 |\n| ROCOXY9c | VROCP1OXY3 + HO ----> HO + 0.178\\*VROCN2OXY8 + 0.192\\*VROCN2OXY4 + 0.000\\*VROCN2OXY2 + 0.074\\*VROCN1OXY6 + 0.045\\*VROCN1OXY3 + 0.063\\*VROCP0OXY4 + 0.001\\*VROCP0OXY2 + 0.001\\*VROCP1OXY3 + 0.023\\*VROCP2OXY2 + 0.059\\*VROCP3OXY2 + 0.065\\*VROCP4OXY2 + 0.017\\*VROCP5OXY1 + 0.015\\*OP3 + 0.017\\*OP2 + 0.082\\*DCB1 + 0.082\\*HKET + 0.082\\*MEK + 0.082\\*ACD + 0.082\\*ALD + 0.082\\*MO2 + 0.082\\*ETHP + 0.082\\*HC3P + 0.082\\*MEKP + 0.222\\*HC5P | 4.6000E-11 | 4.6000E-11 |\n| ROCOXY10c | VROCP1OXY1 + HO ----> HO + 0.002\\*VROCN2OXY8 + 0.134\\*VROCN2OXY4 + 0.335\\*VROCN2OXY2 + 0.008\\*VROCN1OXY6 + 0.119\\*VROCN1OXY3 + 0.076\\*VROCN1OXY1 + 0.029\\*VROCP0OXY4 + 0.077\\*VROCP0OXY2 + 0.028\\*VROCP1OXY3 + 0.012\\*VROCP1OXY1 + 0.065\\*VROCP2OXY2 + 0.071\\*VROCP3OXY2 + 0.067\\*VROCP4OXY2 + 0.042\\*VROCP5OXY1 + 0.091\\*VROCP6OXY1 + 0.007\\*OP3 + 0.003\\*OP2 + 0.030\\*DCB1 + 0.030\\*HKET + 0.030\\*MEK + 0.030\\*ACD + 0.030\\*ALD + 0.030\\*MO2 + 0.030\\*ETHP + 0.030\\*HC3P + 0.030\\*MEKP + 0.065\\*HC5P | 3.8000E-11 | 3.8000E-11 |\n| ROCOXY11c | VROCP2OXY2 + HO ----> HO + 0.044\\*VROCN2OXY8 + 0.173\\*VROCN2OXY4 + 0.010\\*VROCN2OXY2 + 0.051\\*VROCN1OXY6 + 0.112\\*VROCN1OXY3 + 0.001\\*VROCN1OXY1 + 0.134\\*VROCP0OXY4 + 0.040\\*VROCP0OXY2 + 0.051\\*VROCP1OXY3 + 0.007\\*VROCP1OXY1 + 0.024\\*VROCP2OXY2 + 0.029\\*VROCP3OXY2 + 0.073\\*VROCP4OXY2 + 0.052\\*VROCP5OXY1 + 0.059\\*VROCP6OXY1 + 0.004\\*OP3 + 0.002\\*OP2 + 0.063\\*DCB1 + 0.063\\*HKET + 0.063\\*MEK + 0.063\\*ACD + 0.063\\*ALD + 0.063\\*MO2 + 0.063\\*ETHP + 0.063\\*HC3P + 0.063\\*MEKP + 0.149\\*HC5P | 3.9300E-11 | 3.9300E-11 |\n| ROCOXY12c | VROCP3OXY2 + HO ----> HO + 0.032\\*VROCN2OXY8 + 0.076\\*VROCN2OXY4 + 0.001\\*VROCN2OXY2 + 0.053\\*VROCN1OXY6 + 0.049\\*VROCN1OXY3 + 0.155\\*VROCP0OXY4 + 0.015\\*VROCP0OXY2 + 0.105\\*VROCP1OXY3 + 0.001\\*VROCP1OXY1 + 0.053\\*VROCP2OXY2 + 0.009\\*VROCP3OXY2 + 0.043\\*VROCP4OXY2 + 0.058\\*VROCP5OXY1 + 0.066\\*VROCP6OXY1 + 0.051\\*OP3 + 0.011\\*OP2 + 0.070\\*DCB1 + 0.070\\*HKET + 0.070\\*MEK + 0.070\\*ACD + 0.070\\*ALD + 0.070\\*MO2 + 0.070\\*ETHP + 0.070\\*HC3P + 0.070\\*MEKP + 0.166\\*HC5P | 3.5200E-11 | 3.5200E-11 |\n| ROCOXY13c | VROCP4OXY2 + HO ----> HO + 0.012\\*VROCN2OXY8 + 0.017\\*VROCN2OXY4 + 0.048\\*VROCN1OXY6 + 0.025\\*VROCN1OXY3 + 0.088\\*VROCP0OXY4 + 0.092\\*VROCP1OXY3 + 0.007\\*VROCP1OXY1 + 0.097\\*VROCP2OXY2 + 0.046\\*VROCP3OXY2 + 0.002\\*VROCP4OXY2 + 0.048\\*VROCP5OXY1 + 0.074\\*VROCP6OXY1 + 0.061\\*OP3 + 0.015\\*OP2 + 0.079\\*DCB1 + 0.079\\*HKET + 0.079\\*MEK + 0.079\\*ACD + 0.079\\*ALD + 0.079\\*MO2 + 0.079\\*ETHP + 0.079\\*HC3P + 0.079\\*MEKP + 0.173\\*HC5P | 3.1200E-11 | 3.1200E-11 |\n| ROCOXY14c | VROCP5OXY1 + HO ----> HO + 0.010\\*VROCN2OXY4 + 0.001\\*VROCN2OXY2 + 0.009\\*VROCN1OXY6 + 0.015\\*VROCN1OXY3 + 0.070\\*VROCP0OXY4 + 0.015\\*VROCP0OXY2 + 0.104\\*VROCP1OXY3 + 0.003\\*VROCP1OXY1 + 0.165\\*VROCP2OXY2 + 0.157\\*VROCP3OXY2 + 0.072\\*VROCP4OXY2 + 0.006\\*VROCP5OXY1 + 0.140\\*VROCP6OXY1 + 0.022\\*OP3 + 0.038\\*OP2 + 0.053\\*DCB1 + 0.053\\*HKET + 0.053\\*MEK + 0.053\\*ACD + 0.053\\*ALD + 0.053\\*MO2 + 0.053\\*ETHP + 0.053\\*HC3P + 0.053\\*MEKP + 0.128\\*HC5P | 2.4000E-11 | 2.4000E-11 |\n| ROCOXY15c | VROCP6OXY1 + HO ----> HO + 0.006\\*VROCN1OXY6 + 0.005\\*VROCN1OXY3 + 0.022\\*VROCP0OXY4 + 0.050\\*VROCP1OXY3 + 0.002\\*VROCP1OXY1 + 0.088\\*VROCP2OXY2 + 0.138\\*VROCP3OXY2 + 0.146\\*VROCP4OXY2 + 0.043\\*VROCP5OXY1 + 0.096\\*VROCP6OXY1 + 0.032\\*OP3 + 0.059\\*OP2 + 0.057\\*DCB1 + 0.057\\*HKET + 0.057\\*MEK + 0.057\\*ACD + 0.057\\*ALD + 0.057\\*MO2 + 0.057\\*ETHP + 0.057\\*HC3P + 0.057\\*MEKP + 0.154\\*HC5P | 2.0500E-11 | 2.0500E-11 |\n| ROCOXY16c | OP3 + HO ----> HO + 0.119\\*VROCN2OXY8 + 0.001\\*VROCN2OXY4 + 0.039\\*VROCN1OXY6 + 0.011\\*VROCP0OXY4 + 0.227\\*DCB1 + 0.227\\*MEK + 0.227\\*ACD + 0.227\\*ALD + 0.227\\*MO2 + 0.227\\*ETHP + 0.227\\*HC3P + 0.227\\*MEKP | 4.6900E-11 | 4.6900E-11 |\n\n0Units molecules/(sec*cm3); Value at 298.15 K; 2.4615E+19 molecules/cm3; 1.00 Atm. \n1Photolysis Reaction; depends on radiation and predicted concentrations \n2Heterogeneous Reaction; depends on predicted concentrations \n4Set to zero if sun is below the horizon. SEAWATER equals surface fraction covered by ice free open ocean plus surf zones. P equals air pressure in atmospheres. \n8Rate constant scaled as reverse equilibrium to constant for listed reaction \n" }, { "path": "CCTM/src/MECHS/mechanism_information/cracmm1amore_aq/cracmm1amore_aq_species_table.md", "content": "Gas (G) and particle (P) species from the namelists. SMILES link to representative structures in the EPA Chemicals Dashboard (if available).\n\nNote that for each particulate species in CMAQ, a letter will be appended to the name to designate the size, or mode, of the aerosol being represented: I = Aitken mode, J = Accumulation mode, K = Coarse mode. Prepending of a species with a V or A in CMAQ or the chemical mechanism files indicates the species resides in the gas or particulate phase. \n\n Species | Description | Phase | Molecular Weight (g/mol) | Explicit/ Lumped | Representative Structure | SMILES \n ----- | ----- | ----- | ----- | ----- | ----- | ----- \nAAL|Aluminum ion|P|27.0|E|Aluminum ion|[\\[Al+3\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID70912343)\nACA|Calcium ion|P|40.1|E|Calcium ion|[\\[Ca++\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID7037638)\nACD|Acetaldehyde |G|44.0|E|Acetaldehyde|[CC=O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID5039224)\nACE|Acetylene |G|26.0|E|Acetylene|[C#C](https://comptox.epa.gov/dashboard/chemical/details/DTXSID6026379)\nACL|Chloride ion|P|35.5|E|Chloride ion|[\\[Cl-\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID6043969)\nACO3|Acetyl peroxy radicals|G|75.0|E|Acetylperoxy|[CC\\(=O\\)O\\[O\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID40957943)\nACORS|Primary unspeciated coarse PM|P|100.0|L|Coarse PM|\nACRO|Acrolein|G|56.1|E|Acrolein|[C=CC=O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020023)\nACT|Acetone|G|58.0|E|Acetone|[CC\\(C\\)=O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021482)\nACTP|Peroxy radicals formed from ACT|G|89.0|E|(2-oxopropyl)peroxy|CC\\(=O\\)CO\\[O\\]\nADCN|Aromatic-NO3 adduct from PHEN|G|155.0|L|4-oxocyclohex-2-en-1-yl nitrate|OC1=C\\[C\\]C\\(O\\[N+\\]\\(\\[O-\\]\\)=O\\)C=C1\nADDC|Aromatic-HO adduct from CSL|G|125.0|L|3-methyl-5-oxocyclohex-3-en-1-yloxidanyl|CC1=CC\\(O\\)=CC\\(\\[O\\]\\)C1\nAEC|Elemental carbon|P|12.0|L|Carbon|\\[C\\]\nAFE|Iron ion|P|55.8|E|Iron ion|[\\[Fe++\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042672)\nAGLY|SOA from reactive uptake of glyoxal on particles|P|66.4|L|2-(4,5-dihydroxy-1,3-dioxolan-2-yl)-1,3-dioxolane-4,5-diol|OC2OC\\(C1OC\\(O\\)C\\(O\\)O1\\)OC2O\nAH2O|Water associated with particulate inorganic compounds|P|18.0|E|Water|[O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID6026296)\nAH3OP|Hydronium ion tracer|P|19.0|E|Hydronium ion|[\\[OH3+\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID20893597)\nAISO3NOS|Non-sulfated SOA from IEPOX uptake|P|136.2|L|2-methylbutane-1,2,3,4-tetrol|C\\(O\\)C\\(O\\)\\(C\\)C\\(O\\)CO\nAISO3OS|Organosulfate SOA from IEPOX uptake|P|216.2|L|(1,3,4-trihydroxy-2-methylbutan-2-yl)oxysulfonic acid|C\\(O\\)C\\(OS\\(O\\)\\(=O\\)\\(=O\\)\\)\\(C\\)C\\(O\\)CO\nAK|Potassium ion|P|39.1|E|Potassium ion|[\\[K+\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID9042671)\nALD|C3 and higher aldehydes|G|58.0|L|Propanal|[CCC=O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021658)\nAMG|Magnesium ion|P|24.3|E|Magnesium ion|\\[Mg++\\]\nAMN|Manganese ion|P|54.9|L|Manganese ions|[\\[Mn++\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID00167687)\nANA|Sodium ion|P|23.0|E|Sodium ion|[\\[Na+\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID8037671)\nANH4|Ammonium ion|P|18.0|E|Ammonium ion|[\\[NH4+\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID5043974)\nANO3|Nitrate ion|P|62.0|E|Nitrate ion|[\\[N+\\]\\(=O\\)\\(\\[O-\\]\\)\\[O-\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024217)\nAORGC|SOA from cloud processing of GLY and MGLY|P|177.0|L|2-(4,5-dihydroxy-1,3-dioxolan-2-yl)-1,3-dioxolane-4,5-diol|OC2OC\\(C1OC\\(O\\)C\\(O\\)O1\\)OC2O\nAORGH2O|Water associated with particulate organic compounds|P|18.0|E|Water|[O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID6026296)\nAOTHR|Primary unspeciated fine PM|P|200.0|L|Unspeciated PM|\nAPI|Alpha-pinenes and other cyclic terpenes with one double bond|G|136.4|L|alpha-pinene|[CC1=CCC2CC1C2\\(C\\)C](https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026501)\nAPINP1|Peroxy radicals from API+NO3 that do not undergo autoxidation|G|230.0|L|[2,6,6-trimethyl-3-(nitrooxy)bicyclo[3.1.1]heptan-2-yl]peroxy|\\[O\\]OC1\\(C\\)C\\(ON\\(=O\\)=O\\)CC2CC1C2\\(C\\)C\nAPINP2|Peroxy radicals from API+NO3 that undergo autoxidation|G|230.0|L|[2,6,6-trimethyl-3-(nitrooxy)bicyclo[3.1.1]heptan-2-yl]peroxy|\\[O\\]OC1\\(C\\)C\\(ON\\(=O\\)=O\\)CC2CC1C2\\(C\\)C\nAPIP1|Peroxy radicals from API+OH that do not undergo autoxidation|G|185.0|L|{3-hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-2-yl}peroxy|\\[O\\]OC1\\(C\\)C\\(O\\)CC2CC1C2\\(C\\)C\nAPIP2|Peroxy radicals from API+OH that undergo autoxidation|G|185.0|L|{3-hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-2-yl}peroxy|\\[O\\]OC1\\(C\\)C\\(O\\)CC2CC1C2\\(C\\)C\nAPNCOM|Primary non-carbon organic matter (legacy)|P|220.0|L|Non-carbon organic matter|\nAPOC|Primary organic carbon (legacy)|P|220.0|L|Organic carbon|\nASEACAT|Sea spray cations|P|23.75|L|Coarse sea spray cations|\nASI|Silicon|P|28.1|E|Total Silicon|[\\[Si\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID0051441)\nASO4|Total sulfur IV as sulfate|P|96.0|L|Sulfate ion|[\\[O-\\]S\\(=O\\)\\(=O\\)\\[O-\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042425)\nASOAT|An empirical SOA|P|200.0|L|3,4,5,6,7-Pentahydroxyheptan-2-one|[CC\\(=O\\)C\\(C\\(C\\(C\\(CO\\)O\\)O\\)O\\)O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID80956455)\nASOIL|Lumped crustal species|P|100.0|L|Crustal species|\nATI|Titanium|P|47.9|E|Total Titanium|[\\[Ti\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047764)\nBAL1|Peroxy radicals formed from BALD |G|123.0|L|(4-methylphenyl)peroxy|\\[O\\]OC1=CC=C\\(C\\)C=C1\nBAL2|Peroxy radicals formed from BALD |G|109.0|L|phenylperoxy|\\[O\\]OC1=CC=CC=C1\nBALD|Benzaldehyde and other aromatic aldehydes|G|106.0|L|Benzaldehyde|[O=CC1=CC=CC=C1](https://comptox.epa.gov/dashboard/chemical/details/DTXSID8039241)\nBALP|Peroxy radicals formed from BALD |G|137.0|L|benzoylperoxy|O=C\\(O\\[O\\]\\)C1=CC=CC=C1\nBDE13|1,3-butadiene|G|54.1|E|1,3-Butadiene|[C=CC=C](https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020203)\nBDE13P|Peroxy radicals from BDE13|G|103.0|L|(1-hydroxybut-3-en-2-yl)peroxy|C=CC\\(O\\[O\\]\\)CO\nBEN|Benzene|G|78.11|E|Benzene|[C1=CC=CC=C1](https://comptox.epa.gov/dashboard/chemical/details/DTXSID3039242)\nBENP|Peroxy radicals formed from benzene|G|159.12|L|{8-hydroxy-6,7-dioxabicyclo[3.2.1]oct-3-en-2-yl}peroxy|\\[O\\]OC1C=CC2OOC1C2O\nCHO|Phenoxy radical formed from CSL|G|139.0|L|4-hydroxy-3,5-dimethylcyclohexa-2,5-dien-1-yloxidanyl|\\[O\\]C1C=C\\(C\\)C\\(O\\)C\\(=C1\\)C\nCO|Carbon monoxide|G|28.0|E|Carbon monoxide|[\\[C-\\]#\\[O+\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027273)\nCSL|Cresol and other hydroxy substituted aromatics |G|136.2|L|2-Phenylpropan-2-ol|[CC\\(C\\)\\(O\\)C1=CC=CC=C1](https://comptox.epa.gov/dashboard/chemical/details/DTXSID3027247)\nDCB1|Unsaturated dicarbonyls|G|98.0|L|2-methylbut-2-enedial|O=CC=C\\(C\\)C=O\nDCB2|Unsaturated dicarbonyls|G|112.1|L|2-methyl-4-oxopent-2-enal|O=CC\\(=CC\\(=O\\)C\\)C\nDCB3|Unsaturated dicarbonyls|G|84.0|L|but-2-enedial|O=CC=CC=O\nELHOM|Extremely-low volatility highly oxygenated molecules from terpenes|GP|402.0|L|6-hydroperoxy-7-({3-hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-2-yl}peroxy)-3,3,6-trimethyl-tetrahydro-3aH-1,2-benzodioxol-5-ol|OC1CC2C\\(OOC2\\(C\\)C\\)C\\(OOC3\\(C\\)C4C\\(C\\)\\(C\\)C\\(C4\\)CC3O\\)C1\\(C\\)OO\nEOH|Ethanol|G|46.1|E|Ethanol|[CCO](https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020584)\nETE|ethene |G|28.1|E|Ethylene|[C=C](https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026378)\nETEG|Ethylene glycol|G|62.1|E|Ethylene glycol|[OCCO](https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020597)\nETEP|Peroxy radicals formed from ETE|G|77.0|E|(2-hydroxyethyl)peroxy|OCCO\\[O\\]\nETH|ethane |G|30.1|E|Ethane|[CC](https://comptox.epa.gov/dashboard/chemical/details/DTXSID6026377)\nETHP|Peroxy radicals formed from ethane and other species |G|61.0|L|Ethylperoxy|[CCO\\[O\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID90953652)\nFURAN|Furans and other dienes|G|96.1|L|Furfural|[O=CC1=CC=CO1](https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020647)\nFURANO2|Peroxy radicals from FURAN oxidation|G|145.1|L|(2-formyl-5-hydroxy-5H-furan-2-yl)peroxy|OC1C=CC\\(O1\\)\\(O\\[O\\]\\)\\(C=O\\)\nFURANONE|Ring-retaining ketone product from FURAN oxidation|G|100.1|L|2-hydroxy-2H-furan-5-one|[C1=CC\\(=O\\)OC1O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID10930763)\nGLY|Glyoxal and glycoaldehydes |G|58.0|L|Glyoxal|[O=CC=O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID5025364)\nH2O2|Hydrogen peroxide|G|34.0|E|Hydrogen peroxide|[OO](https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020715)\nHC10|Alkanes and other species with HO rate constant greater than 6.8x10-12 cm3 s-1|G|142.28|L|Decane|[CCCCCCCCCC](https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024913)\nHC10P|Peroxy radicals formed from HC10 |G|173.27|L|Decan-3-ylperoxy|CCCCCCCC\\(CC\\)O\\[O\\]\nHC10P2|Hydroxy peroxy radicals from HC10P alkoxy product|G|189.27|L|(8-hydroxydecan-5-yl)peroxy|CCCCC\\(O\\[O\\]\\)CCC\\(O\\)CC\nHC3|Alkanes and other species with HO rate constant less than 3.4x10-12 cm3 s-1 |G|44.1|L|Propane|[CCC](https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026386)\nHC3P|Peroxy radicals formed from HC3|G|75.0|L|Isopropyl peroxy|CC\\(C\\)O\\[O\\]\nHC5|Alkanes and other species with HO rate constant between 3.4x10-12 and 6.8x10-12 cm3 s-1 |G|72.1|L|Pentane|[CCCCC](https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025846)\nHC5P|Peroxy radicals formed from HC5|G|103.0|L|Pentan-3-ylperoxy|CCC\\(O\\[O\\]\\)CC\nHCHO|Formaldehyde |G|30.0|E|Formaldehyde|[C=O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020637)\nHCL|Hydrochloric acid|G|36.0|E|Hydrochloric acid|[Cl](https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020711)\nHKET|Hydroxy ketone |G|74.0|L|Hydroxy acetone|[CC\\(=O\\)CO](https://comptox.epa.gov/dashboard/chemical/details/DTXSID8051590)\nHNO3|Nitric acid|G|63.0|E|Nitric acid|[\\[N+\\]\\(=O\\)\\(O\\)\\[O-\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID5029685)\nHNO4|Pernitric acid |G|79.0|E|Hydroxy nitrate|[\\[N+\\]\\(=O\\)\\(\\[O-\\]\\)OO](https://comptox.epa.gov/dashboard/chemical/details/DTXSID201030501)\nHO|Hydroxy radical|G|17.0|E|Hydroxyl radical|\\[OH\\]\nHO2|Hydroperoxy radical|G|33.0|E|Hydroperoxy|[O\\[O-\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID30894777)\nHOM|Highly oxygenated molecules from terpenes|GP|250.0|L|6,7-dihydroperoxy-3,3,6-trimethyl-tetrahydro-3aH-1,2-benzodioxol-5-ol|OC1CC2C\\(OOC2\\(C\\)C\\)C\\(OO\\)C1\\(C\\)OO\nHONO|Nitrous acid |G|47.0|E|Nitrous acid|[N\\(=O\\)O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID7064813)\nIEPOX|isoprene epoxydiols |G|118.1|E|Isoprene epoxydiol|OCC1OC1\\(C\\)CO\nIEPOXP|IEPOX intermediate (tracking species)|G|118.1||NA|\nINO2|Isoprene nitrate-derived peroxy radicals|G|162.1|L|[(2E)-3-methyl-4-(nitrooxy)but-2-en-1-yl]peroxy|C/C\\(=C\\CO\\[O\\]\\)CON\\(=O\\)=O\nIPC|Isoprene-derived hydroperoxyenals (HPALD)|G|116.1|L|(2Z)-4-hydroperoxy-2-methylbut-2-enal|C/C\\(C=O\\)=C/COO\nIPN|Isoprene-derived peroxy nitrates|G|163.0|L|(2E)-3-methyl-4-(nitrooxy)but-2-ene-1-peroxol|C/C\\(=C\\COO\\)CON\\(=O\\)=O\nISHP|Beta-hydroxy hydroperoxides from ISOP+HO2|G|118.0|L|2-hydroperoxy-2-methylbut-3-en-1-ol|C=CC\\(OO\\)\\(CO\\)C\nISO|Isoprene |G|68.1|E|Isoprene|[CC\\(=C\\)C=C](https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020761)\nISON|Beta-hydroxyalkylnitrates from ISOP+NO alkylnitrates from ISO+NO3|G|147.0|L|2-methyl-2-(nitrooxy)but-3-en-1-ol|OCC\\(C\\)\\(C=C\\)ON\\(=O\\)=O\nISOP|Peroxy radicals formed from ISO+HO |G|117.0|L|(1-hydroxy-3-methylbut-3-en-2-yl)peroxy|OCC\\(O\\[O\\]\\)C\\(C\\)=C\nKET|ketones|G|86.0|L|Diethylketone|[CCC\\(=O\\)CC](https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021820)\nKETP|Peroxy radicals formed from KET|G|117.0|L|(3-oxopentan-2-yl)peroxy|CCC\\(C\\(C\\)O\\[O\\]\\)=O\nLIM|d-limonene and other cyclic diene-terpenes |G|136.3|L|D-Limonene|[CC\\(=C\\)\\[C@@H\\]1CCC\\(C\\)=CC1](https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020778)\nLIMAL|Limonene aldehyde and similar LIM-derived aldehydes|G|168.0|L|Limonaldehyde|O=CCC\\(CCC\\(=O\\)C\\)C\\(=C\\)C\nLIMALP|Peroxy radicals from LIMAL|G|217.0|L|[1-hydroxy-2-methyl-5-oxo-3-(3-oxobutyl)pentan-2-yl]peroxy|O=CCC\\(CCC\\(=O\\)C\\)C\\(C\\)\\(CO\\)O\\[O\\]\nLIMNP1|Peroxy radicals from LIM+NO3 that do not undergo autoxidation|G|230.0|L|[1-methyl-2-(nitrooxy)-4-(prop-1-en-2-yl)cyclohexyl]peroxy|\\[O-\\]\\[N+\\]\\(=O\\)OC1CC\\(CCC1\\(C\\)O\\[O\\]\\)C\\(=C\\)C\nLIMNP2|Peroxy radicals from LIM+NO3 that undergo autoxidation|G|230.0|L|[1-methyl-2-(nitrooxy)-4-(prop-1-en-2-yl)cyclohexyl]peroxy|\\[O-\\]\\[N+\\]\\(=O\\)OC1CC\\(CCC1\\(C\\)O\\[O\\]\\)C\\(=C\\)C\nLIMP1|Peroxy radicals from LIM+OH that do not undergo autoxidation|G|185.0|L|[2-hydroxy-1-methyl-4-(prop-1-en-2-yl)cyclohexyl]peroxy|\\[O\\]OC1\\(C\\)CCC\\(CC1O\\)C\\(=C\\)C\nLIMP2|Peroxy radicals from LIM+OH that undergo autoxidation|G|185.0|L|[2-hydroxy-1-methyl-4-(prop-1-en-2-yl)cyclohexyl]peroxy|\\[O\\]OC1\\(C\\)CCC\\(CC1O\\)C\\(=C\\)C\nMACP|Peroxy radicals formed from MACR+HO|G|101.0|L|(2-methylprop-2-enoyl)peroxy|CC\\(=C\\)C\\(=O\\)O\\[O\\]\nMACR|methacrolein and other C4 aldehydes |G|70.0|L|Methacrolein|[CC\\(=C\\)C=O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID0052540)\nMAHP|Hydroperoxides from MACP+HO2 |G|102.0|L|2-methylprop-2-eneperoxoic acid|C=C\\(C\\)C\\(OO\\)=O\nMCP|Peroxy radical formed from MACR + HO which does not form MPAN|G|119.0|L|(1-hydroxy-2-methyl-3-oxopropan-2-yl)peroxy|OCC\\(C\\)\\(O\\[O\\]\\)C=O\nMCT|Methyl catechol|G|124.1|L|4-Methylcatechol|[CC1=CC\\(O\\)=C\\(O\\)C=C1](https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020861)\nMCTO|Alkoxy radical formed from MCT+HO and MCT+NO3|G|123.0|L|3-hydroxy-5-methylphenyloxidanyl|CC1=CC\\(O\\)=CC\\(\\[O\\]\\)=C1\nMCTP|Radical formed fro MCT+O3 reaction |G|172.0|L|C7H8O5 Biradical|CC\\(/C=C\\\\[C\\]\\(O\\[O\\]\\)O\\)=C/C\\(O\\)=O\nMEK|Methyl ethyl ketone|G|72.1|E|Methyl ethyl ketone|[CCC\\(C\\)=O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021516)\nMEKP|Peroxy radicals formed from MEK|G|103.0|L|(3-oxobutyl)peroxy|\\[O\\]OCCC\\(=O\\)C\nMGLY|Methylglyoxal and other alpha-carbonyl aldehydes |G|72.0|L|Methyl glyoxal|[CC\\(=O\\)C=O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021628)\nMO2|Methyl peroxy radical|G|47.0|E|Methylperoxy|[CO\\[O\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID10944007)\nMOH|Methanol |G|32.0|E|Methanol|[CO](https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021731)\nMPAN|Peroxymethacryloylnitrate and other higher peroxyacylnitrates from isoprene oxidation|G|147.1|L|Peroxymethacryloyl nitrate|[O=N\\(=O\\)OOC\\(=O\\)C\\(=C\\)C](https://comptox.epa.gov/dashboard/chemical/details/DTXSID10236878)\nMVK|Methyl vinyl ketone|G|70.1|E|Methyl vinyl ketone|[CC\\(=O\\)C=C](https://comptox.epa.gov/dashboard/chemical/details/DTXSID3025671)\nMVKP|Peroxy radicals formed from MVK|G|119.0|L|(2-hydroxy-3-oxobutyl)peroxy|CC\\(=O\\)C\\(O\\)CO\\[O\\]\nN2O5|Dinitrogen pentoxide |G|108.0|E|Dinitrogen pentoxide|[\\[N+\\]\\(=O\\)\\(\\[O-\\]\\)O\\[N+\\]\\(=O\\)\\[O-\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID90143672)\nNALD|Nitrooxyacetaldehyde |G|105.0|E|1-(nitrooxy)acetaldehyde|O=CCON\\(=O\\)=O\nNAPH|Naphthalene and other PAHs|G|128.17|L|Naphthalene|[C1=CC2=CC=CC=C2C=C1](https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020913)\nNAPHP|Peroxy radicals from NAPH oxidation|G|209.17|L|{8-hydroxy-10,11-dioxatricyclo[7.2.1.0^{2,7}]dodeca-2,4,6-trien-12-yl}peroxy|C12=CC=CC=C1C3OOC\\(C3O\\[O\\]\\)C2\\(O\\)\nNH3|Ammonia|G|17.0|E|Ammonia|[N](https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023872)\nNO|Nitric oxide |G|30.0|E|Nitric oxide|[\\[N\\]=O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020938)\nNO2|Nitrogen dioxide |G|46.0|E|Nitrogen dioxide|[N\\(=O\\)\\[O\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020974)\nNO3|Nitrogen trioxide|G|62.0|E|Nitrate radical|\\[O\\]N\\(=O\\)=O\nNUM|Number of particles|P|1.0|L|Number of particles|\nO1D|Excited state oxygen atom, O(1D) |G|16.0|E|Excited oxygen|[\\[O\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID00170378)\nO3|Ozone|G|48.0|E|Ozone|[\\[O-\\]\\[O+\\]=O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021098)\nO3P|Ground state oxygen atom, O(3P)|G|16.0|E|Ground state oxygen|[\\[O\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID00170378)\nOLI|Internal alkenes |G|70.1|L|2-Methyl-2-butene|[CC=C\\(C\\)C](https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027165)\nOLIP|Peroxy radicals formed from OLI|G|119.0|L|(3-hydroxy-2-methylbutan-2-yl)peroxy|\\[O\\]OC\\(C\\)\\(C\\)C\\(C\\)O\nOLND|NO3-alkene adduct reacting via decomposition |G|136.0|L|[1-(nitrooxy)propan-2-yl]peroxy|CC\\(O\\[O\\]\\)CO\\[N+\\]\\(\\[O-\\]\\)=O\nOLNN|NO3-alkene adduct reacting to form carbonitrates + HO2 |G|136.0|L|[1-(nitrooxy)propan-2-yl]peroxy|CC\\(O\\[O\\]\\)CO\\[N+\\]\\(\\[O-\\]\\)=O\nOLT|Terminal alkenes |G|42.0|L|1-Propene|[CC=C](https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021205)\nOLTP|Peroxy radicals formed from OLT|G|91.0|L|(1-hydroxypropan-2-yl)peroxy|CC\\(CO\\)O\\[O\\]\nONIT|Organic nitrates|G|119.0|L|Butan-2-yl nitrate|[CCC\\(C\\)O\\[N+\\]\\(=O\\)\\[O-\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID00871813)\nOP1|Methyl hydrogen peroxide |G|48.0|E|Methyl hydroperoxide|[COO](https://comptox.epa.gov/dashboard/chemical/details/DTXSID10184401)\nOP2|Higher organic peroxides |G|62.0|L|Ethyl hydroperoxide|[CCOO](https://comptox.epa.gov/dashboard/chemical/details/DTXSID70184402)\nOP3|Semivolatile organic peroxide|GP|176.2|L|5-hydroperoxy-6-hydroxyoctan-3-one|CCC\\(=O\\)CC\\(OO\\)C\\(O\\)CC\nOPB|Terpene-derived peroxides|G|186.2|L|2-hydroperoxy-2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol|OOC1\\(C\\)C\\(O\\)CC2CC1C2\\(C\\)C\nORA1|Formic acid|G|46.0|E|Formic acid|[OC=O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024115)\nORA2|Acetic acid and higher acids |G|60.2|L|Acetic acid|[CC\\(O\\)=O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024394)\nORAP|Peroxy radical formed from ORA2 + HO reaction|G|91.0|L|(carboxymethyl)peroxy|\\[O\\]OCC\\(=O\\)O\nPAA|Peroxyacetic acids and higher analogs|G|76.0|L|Peroxyacetic acid|[CC\\(=O\\)OO](https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025853)\nPAN|Peroxyacetyl nitrate and higher saturated PANs |G|121.0|L|Peroxyacetyl nitrate|[CC\\(=O\\)OON\\(=O\\)=O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID4062301)\nPHEN|phenol and benzene diols|G|110.1|L|Resorcinol|[OC1=CC\\(O\\)=CC=C1](https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021238)\nPINAL|Pinonaldehyde and similar APIN-derived aldehydes|G|168.0|L|Pinonaldehyde|O=CCC1CC\\(C\\(=O\\)C\\)C1\\(C\\)C\nPINALP|Peroxy radicals from PINAL oxidation|G|199.0|L|[3-acetyl-2,2-dimethyl-1-(2-oxoethyl)cyclobutyl]peroxy|O=CCC1\\(O\\[O\\]\\)CC\\(C\\(=O\\)C\\)C1\\(C\\)C\nPPN|Peroxypropionyl nitrate|G|135.0|E|Peroxypopionyl nitrate|[CCC\\(=O\\)OO\\[N+\\]\\(=O\\)\\[O-\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID90206675)\nPROG|Propylene glyocol and other 3 carbon dialcohols|G|76.1|E|1,2-Propylene glycol|[CC\\(O\\)CO](https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021206)\nRCO3|Higher saturated acyl peroxy radicals|G|89.0|L|Propanoylperoxy|CCC\\(=O\\)O\\[O\\]\nROCIOXY|Intermediate volatility oxygenated ROC species (directly emitted)|G|247.0|L|Decamethylcyclopentasiloxane|[C\\[Si\\]1\\(C\\)O\\[Si\\]\\(C\\)\\(C\\)O\\[Si\\]\\(C\\)\\(C\\)O\\[Si\\]\\(C\\)\\(C\\)O\\[Si\\]\\(C\\)\\(C\\)O1](https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027184)\nROCN1ALK|Alkane-like ROC species with C* of 10-1 μg m-3|GP|408.8|L|5,9-Dimethylheptacosane|[CCCCCCCCCCCCCCCCCCC\\(C\\)CCCC\\(C\\)CCCC](https://comptox.epa.gov/dashboard/chemical/details/DTXSID40823452)\nROCN1OXY1|Oxygenated ROC species with C* of 10-1 μg m-3 and O:C of 0.1|GP|312.5|L|Arachidic Acid|[CCCCCCCCCCCCCCCCCCCC\\(=O\\)O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID1060134)\nROCN1OXY3|Oxygenated ROC species with C* of 10-1 μg m-3 and O:C of 0.3|GP|230.3|L|DODECANEDIOIC ACID|[C\\(CCCCCC\\(=O\\)O\\)CCCCC\\(=O\\)O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID3027297)\nROCN1OXY6|Oxygenated ROC species with C* of 10-1 μg m-3 and O:C of 0.6|GP|190.2|L|2-hydroxy-octanedioic acid|C\\(CCC\\(C\\(=O\\)O\\)O\\)CCC\\(=O\\)O\nROCN2ALK|Alkane-like ROC species with C* of 10-2 μg m-3|GP|422.83|L|Triacontane|[CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC](https://comptox.epa.gov/dashboard/chemical/details/DTXSID0060935)\nROCN2OXY2|Oxygenated ROC species with C* of 10-1 μg m-3 and O:C of 0.2|GP|282.4|L|12(S)-hydroxy-16-Heptadecynoic Acid|C#CCCC\\[C@H\\]\\(CCCCCCCCCCC\\(=O\\)O\\)O\nROCN2OXY4|Oxygenated ROC species with C* of 10-2 μg m-3 and O:C of 0.4|GP|232.3|L|2-HYDROXYUNDECANEDIOIC ACID|[C\\(CCCCC\\(=O\\)O\\)CCCC\\(C\\(=O\\)O\\)O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID90726525)\nROCN2OXY8|Oxygenated ROC species with C* of 10-2 μg m-3 and O:C of 0.8|GP|194.2|L|3,4,5,6,7-Pentahydroxyheptan-2-one|[CC\\(=O\\)C\\(C\\(C\\(C\\(CO\\)O\\)O\\)O\\)O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID80956455)\nROCP0ALK|Alkane-like ROC species with C* of 1 μg m-3|GP|394.77|L|11-Methylheptacosane|[CCCCCCCCCCCCCCCCC\\(C\\)CCCCCCCCCC](https://comptox.epa.gov/dashboard/chemical/details/DTXSID40333900)\nROCP0OXY2|Oxygenated ROC species with C* of 1 μg m-3 and O:C of 0.2|GP|242.4|L|3-oxotetradecanoic acid|[CCCCCCCCCCCC\\(=O\\)CC\\(=O\\)O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID10332384)\nROCP0OXY4|Oxygenated ROC species with C* of 1 μg m-3 and O:C of 0.4|GP|202.3|L|DECANEDIOIC ACID|[C\\(CCCCC\\(=O\\)O\\)CCCC\\(=O\\)O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026867)\nROCP1ALK|Alkane-like ROC species with C* of 10 μg m-3|GP|380.75|L|Heptacosane|[CCCCCCCCCCCCCCCCCCCCCCCCCCC](https://comptox.epa.gov/dashboard/chemical/details/DTXSID6058637)\nROCP1ALKP|Peroxy radicals from ROCP1ALK oxidation|G|411.74|L|heptacosan-3-ylperoxy|CCCCCCCCCCCCCCCCCCCCCCCCC\\(CC\\)O\\[O\\]\nROCP1ALKP2|Hydroxy peroxy radicals from ROCP1ALK alkoxy product|G|427.73|L|(3-hydroxyheptacosan-6-yl)peroxy|CCCCCCCCCCCCCCCCCCCCCC\\(O\\[O\\]\\)CCC\\(O\\)CC\nROCP1OXY1|Oxygenated ROC species with C* of 10 μg m-3 and O:C of 0.1|GP|270.5|L|HEPTADECANOIC ACID|[CCCCCCCCCCCCCCCCC\\(=O\\)O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021596)\nROCP1OXY3|Oxygenated ROC species with C* of 10 μg m-3 and O:C of 0.3|GP|202.3|L|11-hydroxyundecanoic acid|[C\\(CCCCCO\\)CCCCC\\(=O\\)O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID40190136)\nROCP2ALK|Alkane-like ROC species with C* of 10+2 μg m-3|GP|338.66|L|Tetracosane|[CCCCCCCCCCCCCCCCCCCCCCCC](https://comptox.epa.gov/dashboard/chemical/details/DTXSID8060955)\nROCP2ALKP|Peroxy radicals from ROCP2ALK oxidation|G|369.65|L|tetracosan-3-ylperoxy|CCCCCCCCCCCCCCCCCCCCCC\\(CC\\)O\\[O\\]\nROCP2ALKP2|Hydroxy peroxy radicals from ROCP2ALK alkoxy product|G|385.65|L|(3-hydroxytetracosan-6-yl)peroxy|CCCCCCCCCCCCCCCCCCC\\(O\\[O\\]\\)CCC\\(O\\)CC\nROCP2OXY2|Oxygenated ROC species with C* of 10+2 μg m-3 and O:C of 0.2|GP|200.3|L|Dodecanoic Acid|[CCCCCCCCCCCC\\(=O\\)O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021590)\nROCP3ALK|Alkane-like ROC species with C* of 10+3 μg m-3|GP|296.58|L|Heneicosane|[CCCCCCCCCCCCCCCCCCCCC](https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047097)\nROCP3ALKP|Peroxy radicals from ROCP3ALK oxidation|G|327.57|L|henicosan-3-ylperoxy|CCCCCCCCCCCCCCCCCCC\\(CC\\)O\\[O\\]\nROCP3ALKP2|Hydroxy peroxy radicals from ROCP3ALK alkoxy product|G|343.57|L|(3-hydroxyhenicosan-6-yl)peroxy|CCCCCCCCCCCCCCCC\\(O\\[O\\]\\)CCC\\(O\\)CC\nROCP3OXY2|Oxygenated ROC species with C* of 10+3 μg m-3 and O:C of 0.2|GP|186.3|L|11-hydroxyundecanal|C\\(CCCCCO\\)CCCCC=O\nROCP4ALK|Alkane-like ROC species with C* of 10+4 μg m-3|G|254.5|L|Octadecane|[CCCCCCCCCCCCCCCCCC](https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047172)\nROCP4ALKP|Peroxy radicals from ROCP4ALK oxidation|G|285.49|L|octadecan-3-ylperoxy|CCCCCCCCCCCCCCCC\\(CC\\)O\\[O\\]\nROCP4ALKP2|Hydroxy peroxy radicals from ROCP4ALK alkoxy product|G|301.49|L|(3-hydroxyoctadecan-6-yl)peroxy|CCCCCCCCCCCCC\\(O\\[O\\]\\)CCC\\(O\\)CC\nROCP4OXY2|Oxygenated ROC species with C* of 10+4 μg m-3 and O:C of 0.2|G|158.2|L|2-Ethylheptanoic Acid|[CCCCCC\\(CC\\)C\\(=O\\)O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID40880929)\nROCP5ALK|Alkane-like ROC species with C* of 10+5 μg m-3|G|198.39|L|Tetradecane|[CCCCCCCCCCCCCC](https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027267)\nROCP5ALKP|Peroxy radicals from ROCP5ALK oxidation|G|229.38|L|tetradecan-3-ylperoxy|CCCCCCCCCCCC\\(CC\\)O\\[O\\]\nROCP5ALKP2|Hydroxy peroxy radicals from ROCP5ALK alkoxy product|G|245.38|L|(3-hydroxytetradecan-6-yl)peroxy|CCCCCCCCC\\(O\\[O\\]\\)CCC\\(O\\)CC\nROCP5ARO|Aromatic ROC species with C* of 10+5 μg m-3|G|190.33|L|Benzene, octyl-|[CCCCCCCCC1=CC=CC=C1](https://comptox.epa.gov/dashboard/chemical/details/DTXSID2062240)\nROCP5AROP|Peroxy radicals from ROCP5ARO oxidation|G|271.33|L|{8-hydroxy-5-octyl-6,7-dioxabicyclo[3.2.1]oct-3-en-2-yl}peroxy|CCCCCCCCC1\\(OO2\\)C=CC\\(O\\[O\\]\\)C2C1O\nROCP5OXY1|Oxygenated ROC species with C* of 10+5 μg m-3 and O:C of 0.1|G|170.3|L|Undecanal|[CCCCCCCCCCC=O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021688)\nROCP6ALK|Alkane-like ROC species with C* of 10+6 μg m-3|G|184.37|L|Tridecane|[CCCCCCCCCCCCC](https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027266)\nROCP6ALKP|Peroxy radicals from ROCP6ALK oxidation|G|215.36|L|tridecan-3-ylperoxy|CCCCCCCCCCC\\(CC\\)O\\[O\\]\nROCP6ALKP2|Hydroxy peroxy radicals from ROCP6ALK alkoxy product|G|231.36|L|(3-hydroxytridecan-6-yl)peroxy|CCCCCCCC\\(O\\[O\\]\\)CCC\\(O\\)CC\nROCP6ARO|Aromatic ROC species with C* of 10+6 μg m-3|G|176.3|L|1-Hexyl-4-methylbenzene|[CCCCCCC1=CC=C\\(C\\)C=C1](https://comptox.epa.gov/dashboard/chemical/details/DTXSID30333914)\nROCP6AROP|Peroxy radicals from ROCP6ARO oxidation|G|257.3|L|{2-hexyl-8-hydroxy-5-methyl-6,7-dioxabicyclo[3.2.1]oct-3-en-2-yl}peroxy|OC1C2C\\(CCCCCC\\)\\(O\\[O\\]\\)C=CC1\\(C\\)OO2\nROCP6OXY1|Oxygenated ROC species with C* of 10+6 μg m-3 and O:C of 0.1|G|142.2|L|Nonanal|[CCCCCCCCC=O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021639)\nROH|C3 and higher alcohols |G|60.0|L|Propanol|[CCCO](https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021739)\nSESQ|Sesquiterpenes |G|204.4|L|b-caryophyllene|[C/C1=C/CCC\\(=C\\)C2CC\\(C\\)\\(C\\)C2CC\\1](https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024739)\nSESQNRO2|Peroxy radicals from SESQ reaction with nitrate radicals|G|298.4|L|[4,11,11-trimethyl-8-methylidene-5-(nitrooxy)bicyclo[7.2.0]undecan-4-yl]peroxy|\\[O\\]OC1\\(C\\)CCC2C\\(CC2\\(C\\)C\\)C\\(=C\\)CCC1O\\[N+\\]\\(=O\\)\\[O-\\]\nSESQRO2|Peroxy radicals from SESQ reaction with OH|G|253.4|L|{5-hydroxy-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undecan-4-yl}peroxy|\\[O\\]OC1\\(C\\)CCC2C\\(CC2\\(C\\)C\\)C\\(=C\\)CCC1O\nSLOWROC|Slowly reacting ROC with kOH< 3.5x10-13 cm3 s-1 |G|75.4|L|Hydrogen cyanide|[C#N](https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024148)\nSO2|Sulfur dioxide |G|64.0|E|Sulfur dioxide|[O=S=O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID6029672)\nSRF|Surface area of particles|P|1.0|L|Surface area of particles|\nSULF|Sulfuric acid|G|98.0|E|Sulfuric acid|[OS\\(=O\\)\\(=O\\)O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID5029683)\nSULRXN|Precursor of Aerosol Sulfate (tracking species) |G|98.0||NA|\nTOL|Toluene |G|92.14|E|Toluene|[CC1=CC=CC=C1](https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021360)\nTOLP|Peroxy radicals formed from TOL|G|173.14|L|{8-hydroxy-5-methyl-6,7-dioxabicyclo[3.2.1]oct-3-en-2-yl}peroxy|\\[O\\]OC1C=CC2\\(C\\)OOC1C2O\nTRPN|Terpene nitrates|G|215.0|L|3-hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-2-yl nitrate|O=N\\(=O\\)OC1\\(C\\)C\\(O\\)CC2CC1C2\\(C\\)C\nUALD|Unsaturated aldehydes|G|84.1|L|2-Methylbut-2-enal|[CC=C\\(C\\)C=O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID00859414)\nUALP|Peroxy radicals formed from UALD |G|133.0|L|(3-hydroxy-3-methyl-4-oxobutan-2-yl)peroxy|CC\\(O\\[O\\]\\)C\\(C\\)\\(O\\)C=O\nXO2|Accounts for addition NO to NO2 conversions (tracking species)|G|1.0||NA|\nXYE|O- and p-xylene and other less reactive volatile aromatics with kOH < 1.46x10-11 cm3 s-1 |G|106.2|L|Ethylbenzene|[CCC1=CC=CC=C1](https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020596)\nXYEP|Peroxy radicals formed from XYE|G|187.17|L|{5-ethyl-8-hydroxy-6,7-dioxabicyclo[3.2.1]oct-3-en-2-yl}peroxy|\\[O\\]OC1C=CC2\\(CC\\)OOC1C2O\nXYM|M-xylene and other more reactive volatile aromatics with kOH > 1.46x10-11 cm3 s-1 |G|106.2|L|m-Xylene|[CC1=CC\\(C\\)=CC=C1](https://comptox.epa.gov/dashboard/chemical/details/DTXSID6026298)\nXYMP|Peroxy radicals formed from XYM|G|187.17|L|{8-hydroxy-1,5-dimethyl-6,7-dioxabicyclo[3.2.1]oct-3-en-2-yl}peroxy|\\[O\\]OC1C=CC2\\(C\\)OOC1\\(C\\)C2O\n\n" }, { "path": "CCTM/src/MECHS/mechanism_information/cracmm1amore_aq/mech_cracmm1amore_aq.md", "content": "Information is based on the mech.def file.\n* Fall-off or pressure dependent reaction rate constants (M equals air number density):\n * For rate constants with ko, ki, n, F values: k = [ koM/(1+koM/ki)]FG, where G=(1+(log10(koM/ki)/n)2))-1 \n * For rate constants with k1, k2: k = k1 + k2M\n * For rate constants with k0, k2, k3: k = k0 + k3M/(1+k3M/k2)\n * For rate constants with k1, k2, k3: k = k1 + k2M + k3 \n\n* For rate constants with the form A<_Reference_>, k equals A times a reference that represents photolysis rate, a heteorogeneous rate constant, rate constant for the given reaction or an operator. A equals one if not given.\n\n* In the mechanism definition file, the rate is formatted as\n * A~<_HETEROGENEOUS_>\n * A*K<_REACTION_>\n * A/<_PHOTOLYSIS_>\n * A?<_OPERATOR_>\n\n|Label|Reaction |Rate Constant Formula| Value
molecules/(sec*cm3)| \n|:---|:-------------------|:--------------------|:----:| \n| R001 | O3 ----> O3P | O3O3P_NASA06 | Not Available1 | \n| R002 | O3 ----> O1D | O3O1D_NASA06 | Not Available1 | \n| R003 | H2O2 ----> 2.000\\*HO | H2O2_RACM2 | Not Available1 | \n| R004 | NO2 ----> O3P + NO | NO2_RACM2 | Not Available1 | \n| R005 | NO3 ----> NO | NO3NO_RACM2 | Not Available1 | \n| R006 | NO3 ----> O3P + NO2 | NO3NO2_RACM2 | Not Available1 | \n| R007 | HONO ----> HO + NO | HONO_RACM2 | Not Available1 | \n| R008 | HNO3 ----> HO + NO2 | HNO3_RACM2 | Not Available1 | \n| R009 | HNO4 ----> 0.200\\*HO + 0.800\\*HO2 + 0.800\\*NO2 + 0.200\\*NO3 | HNO4_RACM2 | Not Available1 | \n| R010 | HCHO ----> CO | HCHO_MOL_JPL19 | Not Available1 | \n| R011 | HCHO ----> 2.000\\*HO2 + CO | HCHO_RAD_JPL19 | Not Available1 | \n| R012 | ACD ----> HO2 + MO2 + CO | CH3CHO_RACM2 | Not Available1 | \n| R013 | ALD ----> HO2 + ETHP + CO | ALD_JPL19 | Not Available1 | \n| R014 | ACT ----> MO2 + ACO3 | CH3COCH3A_JPL19 | Not Available1 | \n| R014a | ACT ----> 2.000\\*MO2 + CO | CH3COCH3B_JPL19 | Not Available1 | \n| R015 | UALD ----> 1.220\\*HO2 + 0.784\\*ACO3 + 1.220\\*CO + 0.350\\*HCHO + 0.434\\*ALD + 0.216\\*KET | UALD_RACM2 | Not Available1 | \n| TRP01 | PINAL ----> HO2 + HC10P + CO | ALD_JPL19 | Not Available1 | \n| TRP02 | LIMAL ----> HO2 + HC10P + CO | ALD_JPL19 | Not Available1 | \n| R016 | MEK ----> 0.100\\*MO2 + ETHP + 0.900\\*ACO3 + 0.100\\*CO | MEK_JGR19 | Not Available1 | \n| R017 | KET ----> 1.500\\*ETHP + 0.500\\*ACO3 + 0.500\\*CO | KET_JGR19 | Not Available1 | \n| R018 | HKET ----> HO2 + ACO3 + HCHO | HKET_RACM2 | Not Available1 | \n| R019 | MACR ----> 0.340\\*HO + 0.660\\*HO2 + 0.670\\*ACO3 + 0.330\\*MACP + 0.340\\*XO2 + 0.670\\*CO + 0.670\\*HCHO | MACR_RACM2 | Not Available1 | \n| R020 | MVK ----> 0.300\\*MO2 + 0.300\\*MACP + 0.700\\*CO + 0.700\\*UALD | MVK_RACM2 | Not Available1 | \n| R021 | GLY ----> 2.000\\*CO | GLYH2_RACM2 | Not Available1 | \n| R022 | GLY ----> HCHO + CO | GLYF_RACM2 | Not Available1 | \n| R023 | GLY ----> 2.000\\*HO2 + 2.000\\*CO | GLYHX_RACM2 | Not Available1 | \n| R024 | MGLY ----> HO2 + ACO3 + CO | MGLY_RACM2 | Not Available1 | \n| R025 | DCB1 ----> 1.500\\*HO2 + 0.250\\*ACO3 + 0.200\\*XO2 + CO + 0.500\\*GLY + 0.500\\*MGLY | MGLY_RACM2 | Not Available1 | \n| R026 | DCB2 ----> 1.500\\*HO2 + 0.250\\*ACO3 + 0.200\\*XO2 + CO + 0.500\\*GLY + 0.500\\*MGLY | MGLY_RACM2 | Not Available1 | \n| R027 | BALD ----> CHO + HO2 + CO | BALD_RACM2 | Not Available1 | \n| R028 | OP1 ----> HO + HO2 + HCHO | OP1_RACM2 | Not Available1 | \n| R029 | OP2 ----> HO + HO2 + ALD | OP1_RACM2 | Not Available1 | \n| TRP03 | OPB ----> HO + HO2 + ALD | OP1_RACM2 | Not Available1 | \n| R029a | OP3 ----> HO + HO2 + ALD | OP1_RACM2 | Not Available1 | \n| R030 | PAA ----> HO + MO2 | PAA_RACM2 | Not Available1 | \n| R031 | ONIT ----> HO2 + NO2 + 0.200\\*ALD + 0.800\\*KET | ONIT_RACM2 | Not Available1 | \n| R032 | PAN ----> ACO3 + NO2 | PAN1_RACM2 | Not Available1 | \n| R033 | PAN ----> MO2 + NO3 | PAN2_RACM2 | Not Available1 | \n| R034 | O3 + HO ----> HO2 | 1.70E-12e -940.00/T | 7.2647E-14 |\n| R035 | O3 + HO2 ----> HO | 1.00E-14e -490.00/T | 1.9331E-15 |\n| R036 | O3 + NO ----> NO2 | 3.00E-12e -1500.00/T | 1.9596E-14 |\n| R037 | O3 + NO2 ----> NO3 | 1.20E-13e -2450.00/T | 3.2392E-17 |\n| R038 | O3P + O2 + M ----> O3 | 6.10E-34(T/300) -2.40 | 6.1912E-34 |\n| R039 | O3P + O3 ----> | 8.00E-12e -2060.00/T | 7.9879E-15 |\n| R040 | O1D + O2 ----> O3P | 3.30E-11e 55.00/T | 3.9685E-11 |\n| R041 | O1D + N2 ----> O3P | 2.15E-11e 110.00/T | 3.1093E-11 |\n| R042 | O1D + H2O ----> 2.000\\*HO | 1.63E-10e 60.00/T | 1.9934E-10 |\n| R043 | HO + H2 ----> HO2 | 2.80E-12e -1800.00/T | 6.6869E-15 |\n| R044 | HO + HO2 ----> | 4.80E-11e 250.00/T | 1.1102E-10 |\n| R045 | HO2 + HO2 ----> H2O2 | k0= 3.00E-13e 460.0/T
k1= 2.10E-33e 920.0/T | 2.5345E-12 |\n| R046 | HO2 + HO2 + H2O ----> H2O2 | k0= 4.20E-34e 2660.0/T
k1= 2.94E-54e 3120.0/T | 5.6834E-30 |\n| R047 | H2O2 + HO ----> HO2 | 1.80E-12e 0.00/T | 1.8000E-12 |\n| R048 | NO + O3P ----> NO2 | ko= 9.10E-32e 0.0/T(T/300) -1.50
ki = 3.00E-11e 0.0/T(T/300) 0.00
n= 1.00;F= 0.60 | 1.6772E-12 |\n| R049 | NO + HO ----> HONO | ko= 7.10E-31e 0.0/T(T/300) -2.60
ki = 3.60E-11e 0.0/T(T/300) -0.10
n= 1.00;F= 0.60 | 7.4585E-12 |\n| R050 | NO + HO2 ----> NO2 + HO | 3.44E-12e 260.00/T | 8.2278E-12 |\n| R051 | NO + HO2 ----> HNO3 | k0= 6.0950E-14e 270.0/T(T/300) -1.00
k2= 6.8570E-34e 270.0/T(T/300) 1.00
k3= -5.9680E-14e 270.00/T | 4.5566E-14 |\n| R052 | NO + NO + O2 ----> 2.000\\*NO2 | 4.25E-39e 663.50/T | 3.9343E-38 |\n| R053 | HONO + HO ----> NO2 | 3.00E-12e 250.00/T | 6.9387E-12 |\n| R054 | NO2 + O3P ----> NO | 5.30E-12e 200.00/T | 1.0366E-11 |\n| R055 | NO2 + O3P ----> NO3 | ko= 3.40E-31e 0.0/T(T/300) -1.60
ki = 2.30E-11e 0.0/T(T/300) -0.20
n= 1.00;F= 0.60 | 4.0243E-12 |\n| R056 | NO2 + HO ----> HNO3 | ko= 1.80E-30e 0.0/T(T/300) -3.00
ki = 2.80E-11e 0.0/T(T/300) 0.00
n= 1.00;F= 0.60 | 1.0589E-11 |\n| R057 | HNO3 + HO ----> NO3 | k0= 2.40E-14e 460.0/T
k1= 2.70E-17e 2199.0/T
k3= 6.50E-34e 1335.0/T | 1.5409E-13 |\n| R058 | NO3 + HO ----> HO2 + NO2 | 2.0000E-11 | 2.0000E-11 |\n| R059 | NO3 + HO2 ----> 0.700\\*HO + 0.700\\*NO2 + 0.300\\*HNO3 | 3.5000E-12 | 3.5000E-12 |\n| R060 | NO3 + NO ----> 2.000\\*NO2 | 1.70E-11e 125.00/T | 2.5854E-11 |\n| R061 | NO3 + NO2 ----> NO + NO2 | 4.35E-14e -1335.00/T | 4.9418E-16 |\n| R062 | NO3 + NO3 ----> 2.000\\*NO2 | 8.50E-13e -2450.00/T | 2.2944E-16 |\n| R063 | NO3 + NO2 ----> N2O5 | ko= 2.40E-30e 0.0/T(T/300) -3.00
ki = 1.60E-12e 0.0/T(T/300) 0.10
n= 1.00;F= 0.60 | 1.3451E-12 |\n| R064 | N2O5 ----> NO2 + NO3 | 1.72E+26e-10840.00/T \\*R063 | 3.7623E-028| \n| R065 | N2O5 + H2O ----> 2.000\\*HNO3 | 1.0000E-22 | 1.0000E-22 |\n| R066 | NO2 + HO2 ----> HNO4 | ko= 1.90E-31e 0.0/T(T/300) -3.40
ki = 4.00E-12e 0.0/T(T/300) -0.30
n= 1.00;F= 0.60 | 1.3113E-12 |\n| R067 | HNO4 ----> HO2 + NO2 | 4.76E+26e-10900.00/T \\*R066 | 8.2835E-028| \n| R068 | HNO4 + HO ----> NO2 | 4.50E-13e 610.00/T | 3.4814E-12 |\n| R069 | SO2 + HO ----> HO2 + SULF + SULRXN | ko= 2.90E-31e 0.0/T(T/300) -4.10
ki = 1.70E-12e 0.0/T(T/300) 0.20
n= 1.00;F= 0.60 | 9.5762E-13 |\n| R070 | CO + HO ----> HO2 | k0= 1.44E-13e 0.0/T
k1= 2.74E-33e 0.0/T | 2.1145E-13 |\n| R071 | HO + CH4 ----> MO2 | 2.45E-12e -1775.00/T | 6.3628E-15 |\n| R072 | ETH + HO ----> ETHP | 7.66E-12e -1020.00/T | 2.5030E-13 |\n| R073 | HC3 + HO ----> HC3P + 0.000\\*ASOATJ | 7.68E-12e -370.00/T | 2.2203E-12 |\n| R074 | HC5 + HO ----> HC5P + 0.001\\*ASOATJ | 1.01E-11e -245.00/T | 4.4407E-12 |\n| R076 | ETE + HO ----> ETEP | ko= 1.00E-28e 0.0/T(T/300) -4.50
ki = 8.80E-12e 0.0/T(T/300) -0.85
n= 1.00;F= 0.60 | 8.1981E-12 |\n| R077 | OLT + HO ----> OLTP | 5.72E-12e 500.00/T | 3.0599E-11 |\n| R078 | OLI + HO ----> OLIP | 1.33E-11e 500.00/T | 7.1149E-11 |\n| R080 | ACE + HO ----> 0.650\\*HO + 0.350\\*HO2 + 0.350\\*CO + 0.650\\*GLY + 0.350\\*ORA1 | ko= 5.50E-30e 0.0/T(T/300) 0.00
ki = 8.30E-13e 0.0/T(T/300) 2.00
n= 1.00;F= 0.60 | 7.4748E-13 |\n| ROCARO31 | BEN + HO ----> 0.470\\*BENP + 0.530\\*PHEN + 0.530\\*HO2 | 2.33E-12e -193.00/T | 1.2196E-12 |\n| ROCARO41 | TOL + HO ----> 0.820\\*TOLP + 0.180\\*CSL + 0.180\\*HO2 | 1.81E-12e 354.00/T | 5.9337E-12 |\n| ROCARO51 | XYM + HO ----> 0.830\\*XYMP + 0.170\\*CSL + 0.170\\*HO2 | 2.3300E-11 | 2.3300E-11 |\n| ROCARO61 | XYE + HO ----> 0.820\\*XYEP + 0.180\\*CSL + 0.180\\*HO2 | 7.1600E-12 | 7.1600E-12 |\n| RAM01 | ISO + O3 ----> 0.531\\*MACR + 0.189\\*MVK + 1.160\\*HCHO + 0.250\\*HO + 0.250\\*HO2 + 0.080\\*MO2 + 0.100\\*ACO3 + 0.090\\*H2O2 + 0.100\\*MACP + 0.140\\*CO + 0.280\\*ORA1 + 0.150\\*OLT | 1.58E-14e -2000.00/T | 1.9293E-17 |\n| RAM02 | ISO + NO3 ----> INO2 + 0.300\\*HCHO + 0.300\\*NO2 + 0.300\\*NALD | 2.95E-12e -450.00/T | 6.5214E-13 |\n| RAM03 | ISO + HO ----> ISOP + 0.020\\*MO2 | 2.69E-11e 390.00/T | 9.9503E-11 |\n| RAM04 | ISOP + HO2 ----> ISHP + 0.600\\*HO2 + 0.150\\*HCHO | 4.50E-13e 1300.00/T | 3.5224E-11 |\n| RAM05 | ISOP + NO ----> 0.140\\*ISON + 0.700\\*HCHO + 0.440\\*MVK + 0.880\\*HO2 + 0.780\\*NO2 + 0.280\\*MACR + 0.021\\*GLY | 2.70E-12e 350.00/T | 8.7334E-12 |\n| RAM06 | ISHP + HO ----> ISOP | 4.60E-12e 200.00/T | 8.9967E-12 |\n| RAM07 | INO2 + HO2 ----> IPN + HO | 3.14E-14e 580.00/T | 2.1967E-13 |\n| RAM08 | INO2 + NO ----> 0.900\\*HCHO + 0.500\\*MGLY + 0.800\\*MVK + 0.500\\*NO2 + HO2 + 0.200\\*NALD + 0.100\\*MO2 | 9.42E-16e 580.00/T | 6.5902E-15 |\n| RAM9 | IPN + HO2 ----> 0.800\\*NO2 + HO2 + 0.400\\*HCHO + 0.050\\*GLY + 0.100\\*MGLY + 0.400\\*MACR + 0.940\\*MVK + 0.200\\*NALD + 0.100\\*MO2 | 3.40E-11e 390.00/T | 1.2577E-10 |\n| RAM10 | ISON + HO ----> NALD + HO + 0.200\\*IEPOX | 2.40E-07e 580.00/T | 1.6790E-06 |\n| RAM11 | ISHP + HO ----> 0.150\\*HCHO + 0.050\\*MGLY + 0.150\\*MACR + 0.020\\*GLY + 0.200\\*MVK + 0.400\\*NO2 + 0.050\\*IPC + 0.580\\*IEPOX + 0.800\\*HO | 2.97E-11e 390.00/T | 1.0986E-10 |\n| RAM12 | ISHP ----> 0.400\\*HCHO + 0.100\\*MGLY + 0.060\\*ACO3 | HCHO_RAD_RACM2 | Not Available1 | \n| RAM13 | IPC + NO ----> 0.350\\*NO2 + 0.800\\*NO | 1.0000E-10 | 1.0000E-10 |\n| RAM14 | NALD + HO ----> CO + 0.120\\*NO2 | 5.0000E-11 | 5.0000E-11 |\n| RAM15 | NALD + NO3 ----> CO | 2.0000E-14 | 2.0000E-14 |\n| RAM16 | ISON ----> HNO3 + ROH | 2.3000E-05 | 2.3000E-05 |\n| R087 | API + HO ----> 0.975\\*APIP1 + 0.025\\*APIP2 | 1.21E-11e 440.00/T | 5.2930E-11 |\n| R088 | LIM + HO ----> 0.945\\*LIMP1 + 0.055\\*LIMP2 | 4.20E-11e 401.00/T | 1.6120E-10 |\n| TRP04 | PINAL + HO ----> 0.230\\*PINALP + 0.770\\*RCO3 | 5.20E-12e 600.00/T | 3.8903E-11 |\n| TRP05 | LIMAL + HO ----> 0.700\\*LIMALP + 0.300\\*RCO3 | 1.0000E-10 | 1.0000E-10 |\n| R089 | HCHO + HO ----> HO2 + CO | 5.50E-12e 125.00/T | 8.3645E-12 |\n| R090 | ACD + HO ----> ACO3 | 4.70E-12e 345.00/T | 1.4950E-11 |\n| R091 | ALD + HO ----> RCO3 | 4.90E-12e 405.00/T | 1.9060E-11 |\n| R092 | ACT + HO ----> ACTP | 4.56E-14e -427.00/T(T/300) 3.65 | 1.0646E-14 |\n| R093 | MEK + HO ----> MEKP | 1.50E-12e -90.00/T | 1.1092E-12 |\n| R094 | KET + HO ----> KETP | 2.80E-12e 10.00/T | 2.8955E-12 |\n| R095 | HKET + HO ----> HO2 + MGLY | 3.0000E-12 | 3.0000E-12 |\n| R096 | MACR + HO ----> 0.570\\*MACP + 0.430\\*MCP | 8.00E-12e 380.00/T | 2.8616E-11 |\n| R097 | MVK + HO ----> MVKP | 2.60E-12e 610.00/T | 2.0115E-11 |\n| R098 | UALD + HO ----> 0.313\\*ACO3 + 0.687\\*UALP | 5.77E-12e 533.00/T | 3.4479E-11 |\n| R099 | GLY + HO ----> HO2 + 2.000\\*CO | 1.1000E-11 | 1.1000E-11 |\n| R100 | MGLY + HO ----> ACO3 + CO | 9.26E-13e 830.00/T | 1.4984E-11 |\n| R101 | DCB1 + HO ----> 0.520\\*HO2 + 0.330\\*CO + 0.400\\*ALD + 0.780\\*KET + 0.100\\*GLY + 0.010\\*MGLY | 2.80E-11e 175.00/T | 5.0358E-11 |\n| R102 | DCB2 + HO ----> 0.520\\*HO2 + 0.330\\*CO + 0.130\\*MEK + 0.100\\*GLY + 0.010\\*MGLY + 0.780\\*OP2 | 2.80E-11e 175.00/T | 5.0358E-11 |\n| R103 | DCB3 + HO ----> 0.560\\*HO2 + 0.210\\*MACP + 0.110\\*CO + 0.270\\*GLY + 0.010\\*MGLY + 0.790\\*OP2 | 1.0000E-11 | 1.0000E-11 |\n| R104 | BALD + HO ----> BALP | 5.32E-12e 243.00/T | 1.2019E-11 |\n| R105 | PHEN + HO ----> 0.152\\*ASOATJ + 0.619\\*HO2 + 0.170\\*ADDC + 0.059\\*CHO + 0.619\\*MCT | 6.75E-12e 405.00/T | 2.6257E-11 |\n| R106 | CSL + HO ----> 0.200\\*ASOATJ + 0.584\\*HO2 + 0.160\\*ADDC + 0.056\\*CHO + 0.584\\*MCT | 4.65E-11e 0.00/T | 4.6500E-11 |\n| R108 | MCT + HO ----> MCTO | 2.05E-10e 0.00/T | 2.0500E-10 |\n| R109 | MOH + HO ----> HO2 + HCHO | 2.85E-12e -345.00/T | 8.9600E-13 |\n| R110 | EOH + HO ----> HO2 + ACD | 3.00E-12e 20.00/T | 3.2081E-12 |\n| R111 | ROH + HO ----> HO2 + 0.719\\*ALD + 0.184\\*ACD | 2.60E-12e 200.00/T | 5.0851E-12 |\n| R112 | ETEG + HO ----> HO2 + ALD | 1.4700E-11 | 1.4700E-11 |\n| R113 | OP1 + HO ----> 0.350\\*HO + 0.650\\*MO2 + 0.350\\*HCHO | 2.90E-12e 190.00/T | 5.4848E-12 |\n| R114 | OP2 + HO ----> 0.010\\*HO + 0.440\\*HC3P + 0.070\\*XO2 + 0.080\\*ALD + 0.410\\*KET | 3.40E-12e 190.00/T | 6.4304E-12 |\n| TRP06 | OPB + HO ----> 0.010\\*HO + 0.440\\*HC10P + 0.070\\*XO2 + 0.080\\*ALD + 0.410\\*KET | 3.40E-12e 190.00/T | 6.4304E-12 |\n| R114a | OP3 + HO ----> 0.010\\*HO + 0.440\\*HC10P + 0.070\\*XO2 + 0.080\\*ALD + 0.410\\*KET | 3.40E-12e 190.00/T | 6.4304E-12 |\n| R116 | MAHP + HO ----> MACP | 3.0000E-11 | 3.0000E-11 |\n| R117 | ORA1 + HO ----> HO2 | 4.5000E-13 | 4.5000E-13 |\n| R118 | ORA2 + HO ----> 0.640\\*MO2 + 0.360\\*ORAP | 4.00E-14e 850.00/T | 6.9214E-13 |\n| R119 | PAA + HO ----> 0.350\\*HO + 0.650\\*ACO3 + 0.350\\*XO2 + 0.350\\*HCHO | 2.93E-12e 190.00/T | 5.5415E-12 |\n| R120 | PAN + HO ----> XO2 + NO3 + HCHO | 4.0000E-14 | 4.0000E-14 |\n| R121 | PPN + HO ----> XO2 + NO3 + HCHO | 4.0000E-14 | 4.0000E-14 |\n| R122 | MPAN + HO ----> NO2 + HKET | 3.2000E-11 | 3.2000E-11 |\n| R123 | ONIT + HO ----> HC3P + NO2 | 5.31E-12e -260.00/T | 2.2201E-12 |\n| TRP07 | TRPN + HO ----> HOM | 4.8000E-12 | 4.8000E-12 |\n| R126 | ETE + O3 ----> 0.080\\*HO + 0.150\\*HO2 + 0.430\\*CO + HCHO + 0.370\\*ORA1 | 9.14E-15e -2580.00/T | 1.5953E-18 |\n| R127 | OLT + O3 ----> 0.220\\*HO + 0.320\\*HO2 + 0.080\\*MO2 + 0.060\\*ETHP + 0.040\\*HC3P + 0.020\\*HC5P + 0.068\\*H2O2 + 0.430\\*CO + 0.020\\*ETH + 0.015\\*HC3 + 0.006\\*HC5 + 0.032\\*BEN + 0.560\\*HCHO + 0.010\\*ACD + 0.440\\*ALD + 0.030\\*ACT + 0.020\\*BALD + 0.060\\*MEK + 0.010\\*HKET + 0.030\\*ORA1 + 0.060\\*ORA2 | 4.33E-15e -1800.00/T | 1.0341E-17 |\n| R128 | OLI + O3 ----> 0.460\\*HO + 0.070\\*HO2 + 0.320\\*MO2 + 0.070\\*ETHP + 0.040\\*HC3P + 0.090\\*ACO3 + 0.370\\*CO + 0.026\\*H2O2 + 0.010\\*ETH + 0.010\\*HC3 + 0.090\\*HCHO + 0.457\\*ACD + 0.730\\*ALD + 0.110\\*ACT + 0.017\\*KET + 0.044\\*HKET + 0.017\\*ORA2 | 4.40E-15e -845.00/T | 2.5858E-16 |\n| R131 | API + O3 ----> 0.900\\*HO + 0.900\\*APIP1 + 0.050\\*APIP2 + 0.050\\*PINAL + 0.050\\*H2O2 + 0.140\\*CO | 5.00E-16e -530.00/T | 8.4519E-17 |\n| R132 | LIM + O3 ----> 0.840\\*HO + 0.840\\*LIMP1 + 0.110\\*LIMP2 + 0.050\\*LIMAL + 0.050\\*H2O2 + 0.140\\*CO | 2.95E-15e -783.00/T | 2.1344E-16 |\n| TRP08 | LIMAL + O3 ----> 0.040\\*HO + 0.670\\*HC10P + 0.790\\*HCHO + 0.330\\*KET + 0.040\\*HO2 + 0.200\\*CO | 8.3000E-18 | 8.3000E-18 |\n| TRP09 | TRPN + O3 ----> HOM | 1.6700E-16 | 1.6700E-16 |\n| R133 | MACR + O3 ----> 0.190\\*HO + 0.140\\*HO2 + 0.100\\*ACO3 + 0.220\\*CO + 0.500\\*MGLY + 0.450\\*ORA1 | 1.36E-15e -2112.00/T | 1.1406E-18 |\n| R134 | MVK + O3 ----> 0.160\\*HO + 0.110\\*HO2 + 0.280\\*ACO3 + 0.010\\*XO2 + 0.560\\*CO + 0.100\\*HCHO + 0.540\\*MGLY + 0.070\\*ORA1 + 0.070\\*ORA2 + 0.100\\*ALD | 8.50E-16e -1520.00/T | 5.1921E-18 |\n| R135 | UALD + O3 ----> 0.100\\*HO + 0.072\\*HO2 + 0.008\\*MO2 + 0.002\\*ACO3 + 0.100\\*XO2 + 0.243\\*CO + 0.080\\*HCHO + 0.420\\*ACD + 0.028\\*KET + 0.491\\*GLY + 0.003\\*MGLY + 0.044\\*ORA1 | 1.6600E-18 | 1.6600E-18 |\n| R136 | DCB1 + O3 ----> 0.050\\*HO + HO2 + 0.600\\*RCO3 + 0.600\\*XO2 + 1.500\\*CO + 0.050\\*HCHO + 0.050\\*GLY + 0.080\\*MGLY + 0.650\\*OP2 | 2.0000E-16 | 2.0000E-16 |\n| R137 | DCB2 + O3 ----> 0.050\\*HO + HO2 + 0.600\\*RCO3 + 0.600\\*XO2 + 1.500\\*CO + 0.050\\*HCHO + 0.050\\*GLY + 0.080\\*MGLY + 0.700\\*DCB1 + 0.650\\*OP2 | 2.0000E-16 | 2.0000E-16 |\n| R138 | DCB3 + O3 ----> 0.050\\*HO + HO2 + 1.500\\*CO + 0.480\\*GLY + 0.700\\*DCB1 + 0.250\\*ORA1 + 0.250\\*ORA2 + 0.110\\*PAA | 9.0000E-17 | 9.0000E-17 |\n| R140 | MCTO + O3 ----> MCTP | 2.8600E-13 | 2.8600E-13 |\n| R141 | ETE + NO3 ----> 0.800\\*OLNN + 0.200\\*OLND | 4.39E-13e -2282.00/T(T/300) 2.00 | 2.0571E-16 |\n| R142 | OLT + NO3 ----> 0.430\\*OLNN + 0.570\\*OLND | 1.79E-13e -450.00/T | 3.9570E-14 |\n| R143 | OLI + NO3 ----> 0.110\\*OLNN + 0.890\\*OLND | 8.64E-13e 450.00/T | 3.9084E-12 |\n| R146 | API + NO3 ----> 0.975\\*APINP1 + 0.025\\*APINP2 | 1.19E-12e 490.00/T | 6.1560E-12 |\n| R147 | LIM + NO3 ----> 0.945\\*LIMNP1 + 0.055\\*LIMNP2 | 1.2200E-11 | 1.2200E-11 |\n| TRP10 | TRPN + NO3 ----> HOM | 3.15E-14e -448.00/T | 7.0104E-15 |\n| R148 | HCHO + NO3 ----> HO2 + CO + HNO3 | 2.00E-12e -2440.00/T | 5.5828E-16 |\n| R149 | ACD + NO3 ----> ACO3 + HNO3 | 1.40E-12e -1900.00/T | 2.3907E-15 |\n| R150 | ALD + NO3 ----> RCO3 + HNO3 | 3.76E-12e -1900.00/T | 6.4208E-15 |\n| R151 | MACR + NO3 ----> 0.680\\*HCHO + 0.320\\*MACP + 0.680\\*XO2 + 0.680\\*MGLY + 0.320\\*HNO3 + 0.680\\*NO2 | 3.4000E-15 | 3.4000E-15 |\n| R152 | UALD + NO3 ----> HO2 + XO2 + 0.668\\*CO + 0.332\\*HCHO + 0.332\\*ALD + ONIT | 5.02E-13e -1076.00/T | 1.3595E-14 |\n| R153 | GLY + NO3 ----> HO2 + 2.000\\*CO + HNO3 | 2.90E-12e -1900.00/T | 4.9522E-15 |\n| R154 | MGLY + NO3 ----> ACO3 + CO + HNO3 | 3.76E-12e -1900.00/T | 6.4208E-15 |\n| R155 | PHEN + NO3 ----> 0.152\\*ASOATJ + 0.339\\*CHO + 0.850\\*ADDC + 0.424\\*ADCN + 0.424\\*HNO3 | 3.7800E-12 | 3.7800E-12 |\n| R156 | CSL + NO3 ----> 0.200\\*ASOATJ + 0.320\\*CHO + 0.080\\*ADDC + 0.400\\*ADCN + 0.400\\*HNO3 | 1.0600E-12 | 1.0600E-12 |\n| R158 | MCT + NO3 ----> MCTO + HNO3 | 2.0100E-10 | 2.0100E-10 |\n| R159 | MPAN + NO3 ----> MACP + NO2 | 2.20E-14e -500.00/T | 4.1125E-15 |\n| TRP11 | PINALP ----> HOM | 1.0000E+00 | 1.0000E+00 |\n| TRP12 | LIMALP ----> HOM | 1.0000E+00 | 1.0000E+00 |\n| R166 | ACO3 + NO2 ----> PAN | ko= 9.70E-29e 0.0/T(T/300) -5.60
ki = 9.30E-12e 0.0/T(T/300) -1.50
n= 1.00;F= 0.60 | 8.6800E-12 |\n| R167 | PAN ----> ACO3 + NO2 | 1.11E+28e-14000.00/T \\*R166 | 3.9034E-048| \n| R168 | RCO3 + NO2 ----> PPN | ko= 9.70E-29e 0.0/T(T/300) -5.60
ki = 9.30E-12e 0.0/T(T/300) -1.50
n= 1.00;F= 0.60 | 8.6800E-12 |\n| R169 | PPN ----> RCO3 + NO2 | 1.11E+28e-14000.00/T \\*R168 | 3.9034E-048| \n| R170 | MACP + NO2 ----> MPAN | 2.80E-12e 181.00/T | 5.1382E-12 |\n| R171 | MPAN ----> MACP + NO2 | 1.60E+16e-13486.00/T | 3.6308E-04 |\n| R172 | MO2 + NO ----> HO2 + NO2 + HCHO | 2.80E-12e 300.00/T | 7.6586E-12 |\n| R173 | ETHP + NO ----> HO2 + NO2 + ACD | 2.60E-12e 365.00/T | 8.8439E-12 |\n| R174 | HC3P + NO ----> 0.660\\*HO2 + 0.131\\*MO2 + 0.048\\*ETHP + 0.089\\*XO2 + 0.935\\*NO2 + 0.504\\*ACD + 0.132\\*ALD + 0.165\\*ACT + 0.042\\*MEK + 0.065\\*ONIT | 4.0000E-12 | 4.0000E-12 |\n| R175 | HC5P + NO ----> 0.200\\*HO2 + 0.051\\*MO2 + 0.231\\*ETHP + 0.235\\*XO2 + 0.864\\*NO2 + 0.018\\*HCHO + 0.045\\*ACD + 0.203\\*ALD + 0.033\\*MEK + 0.217\\*ACT + 0.033\\*KET + 0.272\\*HKET + 0.136\\*ONIT | 4.0000E-12 | 4.0000E-12 |\n| R177 | ETEP + NO ----> HO2 + NO2 + 1.600\\*HCHO + 0.200\\*ALD | 9.0000E-12 | 9.0000E-12 |\n| R178 | OLTP + NO ----> 0.780\\*HO2 + 0.970\\*NO2 + 0.780\\*HCHO + 0.012\\*ACD + 0.440\\*ALD + 0.060\\*ACT + 0.130\\*MEK + 0.030\\*ONIT | 4.0000E-12 | 4.0000E-12 |\n| R179 | OLIP + NO ----> 0.830\\*HO2 + 0.950\\*NO2 + 0.810\\*ACD + 0.680\\*ALD + 0.200\\*ACT + 0.090\\*KET + 0.020\\*HKET + 0.050\\*ONIT | 4.0000E-12 | 4.0000E-12 |\n| ROCARO33 | BENP + NO ----> 0.000\\*ONIT + 0.001\\*VROCP4OXY2 + 0.001\\*VROCN1OXY6 + 0.998\\*NO2 + 0.998\\*HO2 + 0.000\\*BALD + 0.998\\*GLY + 0.499\\*FURANONE + 0.249\\*DCB2 + 0.249\\*DCB3 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| ROCARO43 | TOLP + NO ----> 0.000\\*ONIT + 0.001\\*VROCP4OXY2 + 0.001\\*VROCN1OXY6 + 0.998\\*NO2 + 0.998\\*HO2 + 0.085\\*BALD + 0.548\\*GLY + 0.365\\*MGLY + 0.365\\*FURANONE + 0.548\\*DCB1 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| ROCARO53 | XYMP + NO ----> 0.000\\*ONIT + 0.001\\*VROCP3OXY2 + 0.001\\*VROCP0OXY4 + 0.998\\*NO2 + 0.998\\*HO2 + 0.048\\*BALD + 0.703\\*GLY + 0.247\\*MGLY + 0.351\\*FURANONE + 0.598\\*DCB2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| ROCARO63 | XYEP + NO ----> 0.000\\*ONIT + 0.001\\*VROCP3OXY2 + 0.001\\*VROCP0OXY4 + 0.998\\*NO2 + 0.998\\*HO2 + 0.085\\*BALD + 0.548\\*GLY + 0.365\\*MGLY + 0.456\\*FURANONE + 0.456\\*DCB2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| R189 | APIP1 + NO ----> 0.820\\*HO2 + 0.820\\*NO2 + 0.820\\*PINAL + 0.180\\*TRPN | 4.0000E-12 | 4.0000E-12 |\n| TRP13 | APIP2 + NO ----> 0.820\\*HO + 0.820\\*NO2 + HOM | 4.0000E-12 | 4.0000E-12 |\n| TRP14 | APINP1 + NO ----> 2.000\\*NO2 + PINAL | 4.0000E-12 | 4.0000E-12 |\n| TRP15 | APINP2 + NO ----> 0.820\\*NO2 + 0.820\\*HO + HOM | 4.0000E-12 | 4.0000E-12 |\n| R190 | LIMP1 + NO ----> 0.770\\*HO2 + 0.770\\*NO2 + 0.490\\*LIMAL + 0.280\\*HCHO + 0.280\\*UALD + 0.230\\*TRPN | 4.0000E-12 | 4.0000E-12 |\n| TRP16 | LIMP2 + NO ----> 0.770\\*HO + 0.770\\*NO2 + HOM | 4.0000E-12 | 4.0000E-12 |\n| TRP17 | LIMNP1 + NO ----> 2.000\\*NO2 + LIMAL | 4.0000E-12 | 4.0000E-12 |\n| TRP18 | LIMNP2 + NO ----> 0.770\\*NO2 + 0.770\\*HO + HOM | 4.0000E-12 | 4.0000E-12 |\n| TRP19 | PINALP + NO ----> 0.950\\*HO2 + 0.950\\*NO2 + 0.050\\*TRPN + 0.950\\*HCHO + 0.950\\*KET | 2.70E-12e 360.00/T | 9.0313E-12 |\n| TRP20 | LIMALP + NO ----> 0.940\\*HO2 + 0.940\\*NO2 + 0.060\\*TRPN + 0.940\\*HCHO + 0.940\\*KET | 2.70E-12e 360.00/T | 9.0313E-12 |\n| R191 | ACO3 + NO ----> MO2 + NO2 | 8.10E-12e 270.00/T | 2.0034E-11 |\n| R192 | RCO3 + NO ----> ETHP + NO2 | 8.10E-12e 270.00/T | 2.0034E-11 |\n| R193 | ACTP + NO ----> ACO3 + NO2 + HCHO | 2.90E-12e 300.00/T | 7.9321E-12 |\n| R194 | MEKP + NO ----> 0.670\\*HO2 + NO2 + 0.330\\*HCHO + 0.670\\*DCB1 | 4.0000E-12 | 4.0000E-12 |\n| R195 | KETP + NO ----> 0.770\\*HO2 + 0.230\\*ACO3 + 0.160\\*XO2 + NO2 + 0.460\\*ALD + 0.540\\*MGLY | 4.0000E-12 | 4.0000E-12 |\n| R196 | MACP + NO ----> 0.650\\*MO2 + 0.350\\*ACO3 + NO2 + 0.650\\*CO + 0.650\\*HCHO | 2.54E-12e 360.00/T | 8.4961E-12 |\n| R197 | MCP + NO ----> NO2 + 0.500\\*HO2 + 0.500\\*HCHO + HKET | 2.54E-12e 360.00/T | 8.4961E-12 |\n| R198 | MVKP + NO ----> 0.300\\*HO2 + 0.700\\*ACO3 + 0.700\\*XO2 + NO2 + 0.300\\*HCHO + 0.700\\*ALD + 0.300\\*MGLY | 2.54E-12e 360.00/T | 8.4961E-12 |\n| R199 | UALP + NO ----> HO2 + NO2 + 0.610\\*CO + 0.030\\*HCHO + 0.270\\*ALD + 0.180\\*GLY + 0.700\\*KET + 0.210\\*MGLY | 2.54E-12e 360.00/T | 8.4961E-12 |\n| R200 | BALP + NO ----> BAL1 + NO2 | 4.0000E-12 | 4.0000E-12 |\n| R201 | BAL1 + NO ----> BAL2 + NO2 | 4.0000E-12 | 4.0000E-12 |\n| R202 | ADDC + NO ----> HO2 + NO2 + 0.320\\*HKET + 0.680\\*GLY + 0.680\\*OP2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| R203 | MCTP + NO ----> MCTO + NO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| R204 | ORAP + NO ----> NO2 + GLY + HO2 | 4.0000E-12 | 4.0000E-12 |\n| R205 | OLNN + NO ----> NO2 + HO2 + ONIT | 4.0000E-12 | 4.0000E-12 |\n| R206 | OLND + NO ----> 2.000\\*NO2 + 0.287\\*HCHO + 1.240\\*ALD + 0.464\\*KET | 4.0000E-12 | 4.0000E-12 |\n| R207 | ADCN + NO ----> 2.000\\*NO2 + GLY + OP2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| R208 | XO2 + NO ----> NO2 | 4.0000E-12 | 4.0000E-12 |\n| R209 | BAL2 + NO2 ----> ONIT | 2.0000E-11 | 2.0000E-11 |\n| R210 | CHO + NO2 ----> ONIT | 2.0000E-11 | 2.0000E-11 |\n| R211 | MCTO + NO2 ----> ONIT | 2.0800E-12 | 2.0800E-12 |\n| R212 | MO2 + HO2 ----> OP1 | 4.10E-13e 750.00/T | 5.0729E-12 |\n| R213 | ETHP + HO2 ----> OP2 | 7.50E-13e 700.00/T | 7.8470E-12 |\n| R214 | HC3P + HO2 ----> OP2 | 1.66E-13e 1300.00/T | 1.2994E-11 |\n| R215 | HC5P + HO2 ----> OP2 | 1.66E-13e 1300.00/T | 1.2994E-11 |\n| R217 | ETEP + HO2 ----> OP2 | 1.90E-13e 1300.00/T | 1.4872E-11 |\n| R218 | OLTP + HO2 ----> OP2 | 1.66E-13e 1300.00/T | 1.2994E-11 |\n| R219 | OLIP + HO2 ----> OP2 | 1.66E-13e 1300.00/T | 1.2994E-11 |\n| ROCARO32 | BENP + HO2 ----> 0.602\\*OP2 + 0.398\\*VROCN1OXY6 | 2.91E-13e 1300.00/T | 2.2778E-11 |\n| ROCARO42 | TOLP + HO2 ----> 0.720\\*OP2 + 0.281\\*VROCN1OXY6 | 2.91E-13e 1300.00/T | 2.2778E-11 |\n| ROCARO52 | XYMP + HO2 ----> 0.048\\*OP2 + 0.675\\*OP3 + 0.277\\*VROCP0OXY4 | 2.91E-13e 1300.00/T | 2.2778E-11 |\n| ROCARO62 | XYEP + HO2 ----> 0.085\\*OP2 + 0.634\\*OP3 + 0.281\\*VROCP0OXY4 | 2.91E-13e 1300.00/T | 2.2778E-11 |\n| R229 | APIP1 + HO2 ----> OPB | 1.5000E-11 | 1.5000E-11 |\n| TRP21 | APIP2 + HO2 ----> HOM | 1.5000E-11 | 1.5000E-11 |\n| TRP22 | APINP1 + HO2 ----> TRPN | 1.5000E-11 | 1.5000E-11 |\n| TRP23 | APINP2 + HO2 ----> HOM | 1.5000E-11 | 1.5000E-11 |\n| R230 | LIMP1 + HO2 ----> OPB | 1.5000E-11 | 1.5000E-11 |\n| TRP24 | LIMP2 + HO2 ----> HOM | 1.5000E-11 | 1.5000E-11 |\n| TRP25 | LIMNP1 + HO2 ----> TRPN | 1.5000E-11 | 1.5000E-11 |\n| TRP26 | LIMNP2 + HO2 ----> HOM | 1.5000E-11 | 1.5000E-11 |\n| TRP27 | PINALP + HO2 ----> OPB | 2.91E-13e 1300.00/T | 2.2778E-11 |\n| TRP28 | LIMALP + HO2 ----> OPB | 2.91E-13e 1300.00/T | 2.2778E-11 |\n| R231 | ACO3 + HO2 ----> 0.440\\*HO + 0.440\\*MO2 + 0.150\\*ORA2 + 0.410\\*PAA | 4.30E-13e 1040.00/T | 1.4072E-11 |\n| R232 | RCO3 + HO2 ----> 0.440\\*HO + 0.440\\*ETHP + 0.150\\*ORA2 + 0.410\\*PAA | 4.30E-13e 1040.00/T | 1.4072E-11 |\n| R233 | ACTP + HO2 ----> 0.150\\*HO + 0.150\\*ACO3 + 0.150\\*HCHO + 0.850\\*OP2 | 1.15E-13e 1300.00/T | 9.0016E-12 |\n| R234 | MEKP + HO2 ----> OP2 | 1.15E-13e 1300.00/T | 9.0016E-12 |\n| R235 | KETP + HO2 ----> OP2 | 1.15E-13e 1300.00/T | 9.0016E-12 |\n| R236 | MACP + HO2 ----> MAHP | 1.82E-13e 1300.00/T | 1.4246E-11 |\n| R237 | MCP + HO2 ----> MAHP | 1.82E-13e 1300.00/T | 1.4246E-11 |\n| R238 | MVKP + HO2 ----> OP2 | 2.91E-13e 1300.00/T | 2.2778E-11 |\n| R239 | UALP + HO2 ----> OP2 | 2.91E-13e 1300.00/T | 2.2778E-11 |\n| R240 | ADDC + HO2 ----> OP2 | 3.75E-13e 980.00/T | 1.0035E-11 |\n| R241 | CHO + HO2 ----> CSL | 1.0000E-11 | 1.0000E-11 |\n| R242 | MCTP + HO2 ----> OP2 | 3.75E-13e 980.00/T | 1.0035E-11 |\n| R243 | ORAP + HO2 ----> OP2 | 1.15E-13e 1300.00/T | 9.0016E-12 |\n| R244 | OLNN + HO2 ----> ONIT | 1.66E-13e 1300.00/T | 1.2994E-11 |\n| R245 | OLND + HO2 ----> ONIT | 1.66E-13e 1300.00/T | 1.2994E-11 |\n| R246 | ADCN + HO2 ----> OP2 | 3.75E-13e 980.00/T | 1.0035E-11 |\n| R247 | XO2 + HO2 ----> OP2 | 1.66E-13e 1300.00/T | 1.2994E-11 |\n| R248 | MO2 + MO2 ----> 0.740\\*HO2 + 1.370\\*HCHO + 0.630\\*MOH | 9.50E-14e 390.00/T | 3.5141E-13 |\n| R249 | ETHP + MO2 ----> HO2 + 0.750\\*HCHO + 0.750\\*ACD + 0.250\\*MOH + 0.250\\*EOH | 1.18E-13e 158.00/T | 2.0046E-13 |\n| R250 | HC3P + MO2 ----> 0.894\\*HO2 + 0.080\\*MO2 + 0.026\\*ETHP + 0.026\\*XO2 + 0.827\\*HCHO + 0.198\\*ALD + 0.497\\*KET + 0.050\\*GLY + 0.250\\*MOH + 0.250\\*ROH | 9.46E-14e 431.00/T | 4.0151E-13 |\n| R251 | HC5P + MO2 ----> 0.842\\*HO2 + 0.018\\*MO2 + 0.140\\*ETHP + 0.191\\*XO2 + 0.777\\*HCHO + 0.251\\*ALD + 0.618\\*KET + 0.250\\*MOH + 0.250\\*ROH | 1.00E-13e 467.00/T | 4.7890E-13 |\n| R253 | ETEP + MO2 ----> HO2 + 1.950\\*HCHO + 0.150\\*ALD + 0.250\\*MOH + 0.250\\*ETEG | 1.71E-13e 708.00/T | 1.8378E-12 |\n| R254 | OLTP + MO2 ----> HO2 + 1.500\\*HCHO + 0.705\\*ALD + 0.045\\*KET + 0.250\\*MOH + 0.250\\*ROH | 1.46E-13e 708.00/T | 1.5691E-12 |\n| R255 | OLIP + MO2 ----> HO2 + 0.750\\*HCHO + 1.280\\*ALD + 0.218\\*KET + 0.250\\*MOH + 0.250\\*ROH | 9.18E-14e 708.00/T | 9.8659E-13 |\n| ROCARO35 | BENP + MO2 ----> 0.680\\*HCHO + 1.370\\*HO2 + 0.320\\*MOH + 0.000\\*BALD + GLY + 0.500\\*FURANONE + 0.250\\*DCB2 + 0.250\\*DCB3 | 3.56E-14e 708.00/T | 3.8260E-13 |\n| ROCARO45 | TOLP + MO2 ----> 0.680\\*HCHO + 1.285\\*HO2 + 0.320\\*MOH + 0.085\\*BALD + 0.549\\*GLY + 0.366\\*MGLY + 0.366\\*FURANONE + 0.549\\*DCB1 | 3.56E-14e 708.00/T | 3.8260E-13 |\n| ROCARO55 | XYMP + MO2 ----> 0.680\\*HCHO + 1.322\\*HO2 + 0.320\\*MOH + 0.048\\*BALD + 0.704\\*GLY + 0.247\\*MGLY + 0.352\\*FURANONE + 0.600\\*DCB2 | 3.56E-14e 708.00/T | 3.8260E-13 |\n| ROCARO65 | XYEP + MO2 ----> 0.680\\*HCHO + 1.285\\*HO2 + 0.320\\*MOH + 0.085\\*BALD + 0.549\\*GLY + 0.366\\*MGLY + 0.457\\*FURANONE + 0.457\\*DCB2 | 3.56E-14e 708.00/T | 3.8260E-13 |\n| R264 | ISOP + MO2 ----> HO2 + 1.310\\*HCHO + 0.159\\*MACR + 0.250\\*MVK + 0.250\\*MOH + 0.250\\*ROH + 0.023\\*ALD + 0.018\\*GLY + 0.016\\*HKET | 3.40E-14e 221.00/T | 7.1350E-14 |\n| R265 | APIP1 + MO2 ----> HO2 + 0.680\\*HCHO + 0.600\\*PINAL + 0.070\\*KET + 0.320\\*MOH + 0.250\\*ROH | 3.56E-14e 708.00/T | 3.8260E-13 |\n| TRP29 | APIP2 + MO2 ----> HO2 + 0.750\\*HCHO + 0.250\\*MOH + HOM | 1.0000E-10 | 1.0000E-10 |\n| TRP30 | APINP1 + MO2 ----> 0.370\\*HO2 + 0.860\\*NO2 + 0.680\\*HCHO + 0.860\\*PINAL + 0.320\\*MOH + 0.140\\*TRPN | 3.56E-14e 708.00/T | 3.8260E-13 |\n| TRP31 | APINP2 + MO2 ----> 0.750\\*HO2 + 0.750\\*NO2 + 0.250\\*MOH + 0.750\\*HCHO + HOM | 1.0000E-10 | 1.0000E-10 |\n| R266 | LIMP1 + MO2 ----> HO2 + HCHO + 0.420\\*LIMAL + 0.300\\*KET + 0.320\\*MOH + 0.270\\*ROH | 3.56E-14e 708.00/T | 3.8260E-13 |\n| TRP32 | LIMP2 + MO2 ----> HO2 + 0.750\\*HCHO + 0.250\\*MOH + HOM | 1.0000E-10 | 1.0000E-10 |\n| TRP33 | LIMNP1 + MO2 ----> 0.370\\*HO2 + 0.680\\*HCHO + 0.700\\*LIMAL + 0.700\\*NO2 + 0.320\\*MOH + 0.300\\*TRPN | 3.56E-14e 708.00/T | 3.8260E-13 |\n| TRP34 | LIMNP2 + MO2 ----> 0.750\\*HO2 + 0.750\\*HCHO + 0.750\\*NO2 + 0.250\\*MOH + HOM | 1.0000E-10 | 1.0000E-10 |\n| R267 | ACO3 + MO2 ----> 0.900\\*HO2 + 0.900\\*MO2 + HCHO + 0.100\\*ORA2 | 2.00E-11e 500.00/T | 1.0699E-10 |\n| R268 | RCO3 + MO2 ----> 0.900\\*HO2 + 0.900\\*MO2 + HCHO + 0.100\\*ORA2 | 2.00E-11e 500.00/T | 1.0699E-10 |\n| R269 | ACTP + MO2 ----> 0.500\\*HO2 + 0.500\\*ACO3 + 1.500\\*HCHO + 0.250\\*MOH + 0.250\\*ROH + 0.125\\*ORA2 | 7.50E-13e 500.00/T | 4.0121E-12 |\n| R270 | MEKP + MO2 ----> 0.834\\*HO2 + HCHO + 0.334\\*DCB1 + 0.250\\*MOH + 0.250\\*ROH | 6.91E-13e 508.00/T | 3.7971E-12 |\n| R271 | KETP + MO2 ----> HO2 + 0.750\\*HCHO + 0.500\\*DCB1 + 0.250\\*MOH + 0.250\\*ROH | 6.91E-13e 508.00/T | 3.7971E-12 |\n| R272 | MACP + MO2 ----> 0.500\\*HO2 + 0.269\\*ACO3 + 0.500\\*CO + 1.660\\*HCHO + 0.067\\*ORA2 + 0.250\\*MO2 + 0.250\\*MOH + 0.250\\*ROH | 3.40E-14e 221.00/T | 7.1350E-14 |\n| R273 | MCP + MO2 ----> NO2 + HO2 + 1.500\\*HCHO + 0.500\\*HKET + 0.250\\*MOH + 0.250\\*ROH | 3.40E-14e 221.00/T | 7.1350E-14 |\n| R274 | MVKP + MO2 ----> HO2 + 1.160\\*ACO3 + 1.160\\*XO2 + 1.500\\*HCHO + 1.750\\*ALD + 0.500\\*MGLY + 0.250\\*MOH + 0.250\\*ROH + 0.292\\*ORA2 | 8.3700E-14 | 8.3700E-14 |\n| R275 | UALP + MO2 ----> HO2 + 0.305\\*CO + 0.773\\*HCHO + 0.203\\*ALD + 0.525\\*KET + 0.135\\*GLY + 0.105\\*MGLY + 0.250\\*MOH + 0.250\\*ROH | 3.40E-14e 221.00/T | 7.1350E-14 |\n| R276 | BALP + MO2 ----> HO2 + BAL1 + HCHO | 3.56E-14e 708.00/T | 3.8260E-13 |\n| R277 | BAL1 + MO2 ----> HO2 + BAL2 + HCHO | 3.56E-14e 708.00/T | 3.8260E-13 |\n| R278 | ADDC + MO2 ----> 2.000\\*HO2 + HCHO + 0.320\\*HKET + 0.680\\*GLY + 0.680\\*OP2 | 3.56E-14e 708.00/T | 3.8260E-13 |\n| R279 | MCTP + MO2 ----> HO2 + MCTO + HCHO | 3.56E-14e 708.00/T | 3.8260E-13 |\n| R280 | ORAP + MO2 ----> HCHO + HO2 + GLY | 7.50E-13e 500.00/T | 4.0121E-12 |\n| R281 | OLNN + MO2 ----> 2.000\\*HO2 + HCHO + ONIT | 1.60E-13e 708.00/T | 1.7195E-12 |\n| R282 | OLND + MO2 ----> 0.500\\*HO2 + 0.500\\*NO2 + 0.965\\*HCHO + 0.930\\*ALD + 0.348\\*KET + 0.250\\*MOH + 0.250\\*ROH + 0.500\\*ONIT | 9.68E-14e 708.00/T | 1.0403E-12 |\n| R283 | ADCN + MO2 ----> HO2 + 0.700\\*NO2 + HCHO + 0.700\\*GLY + 0.700\\*OP2 + 0.300\\*ONIT | 3.5600E-14 | 3.5600E-14 |\n| R284 | XO2 + MO2 ----> HO2 + HCHO | 5.99E-15e 1510.00/T | 9.4829E-13 |\n| R285 | ETHP + ACO3 ----> 0.500\\*HO2 + 0.500\\*MO2 + ACD + 0.500\\*ORA2 | 1.03E-12e 211.00/T | 2.0902E-12 |\n| R286 | HC3P + ACO3 ----> 0.394\\*HO2 + 0.580\\*MO2 + 0.026\\*ETHP + 0.026\\*XO2 + 0.130\\*HCHO + 0.273\\*ALD + 0.662\\*KET + 0.067\\*GLY + 0.500\\*ORA2 | 6.90E-13e 460.00/T | 3.2277E-12 |\n| R287 | HC5P + ACO3 ----> 0.342\\*HO2 + 0.518\\*MO2 + 0.140\\*ETHP + 0.191\\*XO2 + 0.042\\*HCHO + 0.381\\*ALD + 0.824\\*KET + 0.500\\*ORA2 | 5.59E-13e 522.00/T | 3.2194E-12 |\n| R289 | ETEP + ACO3 ----> 0.500\\*HO2 + 0.500\\*MO2 + 1.600\\*HCHO + 0.200\\*ALD + 0.500\\*ORA2 | 9.48E-13e 765.00/T | 1.2335E-11 |\n| R290 | OLTP + ACO3 ----> 0.500\\*HO2 + 0.500\\*MO2 + HCHO + 0.940\\*ALD + 0.060\\*KET + 0.500\\*ORA2 | 8.11E-13e 765.00/T | 1.0552E-11 |\n| R291 | OLIP + ACO3 ----> 0.500\\*HO2 + 0.500\\*MO2 + 1.710\\*ALD + 0.290\\*KET + 0.500\\*ORA2 | 5.09E-13e 765.00/T | 6.6228E-12 |\n| ROCARO36 | BENP + ACO3 ----> 0.700\\*MO2 + HO2 + 0.300\\*ORA2 + 0.000\\*BALD + GLY + 0.500\\*FURANONE + 0.250\\*DCB2 + 0.250\\*DCB3 | 7.40E-13e 765.00/T | 9.6284E-12 |\n| ROCARO46 | TOLP + ACO3 ----> 0.700\\*MO2 + 0.915\\*HO2 + 0.300\\*ORA2 + 0.085\\*BALD + 0.549\\*GLY + 0.366\\*MGLY + 0.366\\*FURANONE + 0.549\\*DCB1 | 7.40E-13e 765.00/T | 9.6284E-12 |\n| ROCARO56 | XYMP + ACO3 ----> 0.700\\*MO2 + 0.952\\*HO2 + 0.300\\*ORA2 + 0.048\\*BALD + 0.704\\*GLY + 0.247\\*MGLY + 0.352\\*FURANONE + 0.600\\*DCB2 | 7.40E-13e 765.00/T | 9.6284E-12 |\n| ROCARO66 | XYEP + ACO3 ----> 0.700\\*MO2 + 0.915\\*HO2 + 0.300\\*ORA2 + 0.085\\*BALD + 0.549\\*GLY + 0.366\\*MGLY + 0.457\\*FURANONE + 0.457\\*DCB2 | 7.40E-13e 765.00/T | 9.6284E-12 |\n| R300 | ISOP + ACO3 ----> 0.500\\*HO2 + 0.500\\*MO2 + 1.048\\*HCHO + 0.219\\*MACR + 0.305\\*MVK + 0.500\\*ORA2 | 8.40E-14e 221.00/T | 1.7628E-13 |\n| R301 | APIP1 + ACO3 ----> 0.630\\*HO2 + 0.700\\*MO2 + 0.600\\*PINAL + 0.300\\*ORA2 + 0.070\\*KET + 0.250\\*ROH | 7.40E-13e 765.00/T | 9.6284E-12 |\n| TRP35 | APIP2 + ACO3 ----> 0.500\\*HO + 0.500\\*MO2 + 0.500\\*ORA2 + HOM | 1.0000E-10 | 1.0000E-10 |\n| TRP36 | APINP1 + ACO3 ----> 0.860\\*NO2 + 0.140\\*TRPN + 0.860\\*PINAL + 0.700\\*MO2 + 0.300\\*ORA2 | 7.40E-13e 765.00/T | 9.6284E-12 |\n| TRP37 | APINP2 + ACO3 ----> 0.500\\*NO2 + 0.500\\*MO2 + 0.500\\*ORA2 + HOM | 1.0000E-10 | 1.0000E-10 |\n| R302 | LIMP1 + ACO3 ----> 0.630\\*HO2 + 0.700\\*MO2 + 0.420\\*LIMAL + 0.300\\*KET + 0.300\\*ORA2 + 0.320\\*HCHO + 0.270\\*ROH | 7.40E-13e 765.00/T | 9.6284E-12 |\n| TRP38 | LIMP2 + ACO3 ----> 0.500\\*HO + 0.500\\*MO2 + 0.500\\*ORA2 + HOM | 1.0000E-10 | 1.0000E-10 |\n| TRP39 | LIMNP1 + ACO3 ----> 0.700\\*NO2 + 0.700\\*LIMAL + 0.300\\*TRPN + 0.700\\*MO2 + 0.300\\*ORA2 | 7.40E-13e 765.00/T | 9.6284E-12 |\n| TRP40 | LIMNP2 + ACO3 ----> 0.500\\*MO2 + 0.500\\*NO2 + 0.500\\*ORA2 + HOM | 1.0000E-10 | 1.0000E-10 |\n| R303 | ACO3 + ACO3 ----> 2.000\\*MO2 | 2.50E-12e 500.00/T | 1.3374E-11 |\n| R304 | RCO3 + ACO3 ----> MO2 + ETHP | 2.50E-12e 500.00/T | 1.3374E-11 |\n| R305 | ACTP + ACO3 ----> 0.500\\*MO2 + 0.500\\*ACO3 + HCHO + 0.750\\*ORA2 | 7.51E-13e 565.00/T | 4.9962E-12 |\n| R306 | MEKP + ACO3 ----> 0.330\\*HO2 + 0.500\\*MO2 + 0.330\\*HCHO + 0.334\\*DCB1 + 0.500\\*ORA2 | 7.51E-13e 565.00/T | 4.9962E-12 |\n| R307 | KETP + ACO3 ----> 0.500\\*HO2 + 0.500\\*MO2 + 0.500\\*DCB1 + 0.500\\*ORA2 | 7.51E-13e 565.00/T | 4.9962E-12 |\n| R308 | MACP + ACO3 ----> 0.635\\*ORA2 + 0.500\\*MO2 + 0.269\\*ACO3 + 0.500\\*CO + HCHO | 8.40E-14e 221.00/T | 1.7628E-13 |\n| R309 | MCP + ACO3 ----> NO2 + 0.500\\*HO2 + HCHO + 0.500\\*HKET + 0.500\\*MO2 + 0.500\\*ORA2 | 8.40E-14e 221.00/T | 1.7628E-13 |\n| R310 | MVKP + ACO3 ----> 0.500\\*HO2 + 0.500\\*MO2 + 1.160\\*ACO3 + 1.160\\*XO2 + HCHO + 2.300\\*ALD + 0.500\\*MGLY + 1.083\\*ORA2 | 1.68E-12e 500.00/T | 8.9872E-12 |\n| R311 | UALP + ACO3 ----> 0.500\\*HO2 + 0.500\\*MO2 + 0.500\\*CO + 0.030\\*HCHO + 0.270\\*ALD + 0.700\\*KET + 0.180\\*GLY + 0.105\\*MGLY + 0.500\\*ORA2 | 1.68E-12e 500.00/T | 8.9872E-12 |\n| R312 | BALP + ACO3 ----> MO2 + BAL1 | 7.40E-13e 765.00/T | 9.6284E-12 |\n| R313 | BAL1 + ACO3 ----> MO2 + BAL2 | 7.40E-13e 765.00/T | 9.6284E-12 |\n| R314 | ADDC + ACO3 ----> 2.000\\*HO2 + MO2 + 0.320\\*HKET + 0.680\\*GLY + 0.680\\*OP2 | 7.40E-13e 708.00/T | 7.9529E-12 |\n| R315 | MCTP + ACO3 ----> HO2 + MO2 + MCTO | 7.40E-13e 708.00/T | 7.9529E-12 |\n| R316 | ORAP + ACO3 ----> MO2 + GLY | 7.51E-13e 565.00/T | 4.9962E-12 |\n| R317 | OLNN + ACO3 ----> HO2 + MO2 + ONIT | 8.85E-13e 765.00/T | 1.1515E-11 |\n| R318 | OLND + ACO3 ----> 0.500\\*MO2 + NO2 + 0.287\\*HCHO + 1.240\\*ALD + 0.464\\*KET + 0.500\\*ORA2 | 5.37E-13e 765.00/T | 6.9871E-12 |\n| R319 | ADCN + ACO3 ----> HO2 + MO2 + 0.700\\*NO2 + 0.700\\*GLY + 0.700\\*OP2 + 0.300\\*ONIT | 7.40E-13e 708.00/T | 7.9529E-12 |\n| R320 | XO2 + ACO3 ----> MO2 | 3.40E-14e 1560.00/T | 6.3654E-12 |\n| R321 | RCO3 + RCO3 ----> 2.000\\*ETHP | 2.50E-12e 500.00/T | 1.3374E-11 |\n| R322 | MO2 + NO3 ----> HO2 + HCHO + NO2 | 1.2000E-12 | 1.2000E-12 |\n| R323 | ETHP + NO3 ----> HO2 + NO2 + ACD | 1.2000E-12 | 1.2000E-12 |\n| R324 | HC3P + NO3 ----> 0.254\\*HO2 + 0.140\\*MO2 + 0.092\\*XO2 + 0.503\\*ETHP + NO2 + 0.519\\*ACD + 0.147\\*ALD + 0.075\\*MEK + 0.095\\*ACT | 1.2000E-12 | 1.2000E-12 |\n| R325 | HC5P + NO3 ----> 0.488\\*HO2 + 0.055\\*MO2 + 0.280\\*ETHP + 0.485\\*XO2 + NO2 + 0.024\\*HCHO + 0.241\\*ALD + 0.060\\*KET + 0.063\\*MEK + 0.247\\*ACT + 0.048\\*ACD + 0.275\\*HKET | 1.2000E-12 | 1.2000E-12 |\n| R327 | ETEP + NO3 ----> HO2 + NO2 + 1.600\\*HCHO + 0.200\\*ALD | 1.2000E-12 | 1.2000E-12 |\n| R328 | OLTP + NO3 ----> 0.470\\*ALD + 0.790\\*HCHO + 0.790\\*HO2 + NO2 + 0.180\\*MEK + 0.020\\*ACD + 0.090\\*ACT | 1.2000E-12 | 1.2000E-12 |\n| R329 | OLIP + NO3 ----> 0.860\\*HO2 + 0.720\\*ALD + 0.110\\*KET + NO2 + 0.200\\*ACT + 0.850\\*ACD + 0.040\\*HKET | 1.2000E-12 | 1.2000E-12 |\n| ROCARO34 | BENP + NO3 ----> NO2 + HO2 + 0.000\\*BALD + GLY + 0.500\\*FURANONE + 0.250\\*DCB2 + 0.250\\*DCB3 | 2.3000E-12 | 2.3000E-12 |\n| ROCARO44 | TOLP + NO3 ----> NO2 + 0.915\\*HO2 + 0.085\\*BALD + 0.549\\*GLY + 0.366\\*MGLY + 0.366\\*FURANONE + 0.549\\*DCB1 | 2.3000E-12 | 2.3000E-12 |\n| ROCARO54 | XYMP + NO3 ----> NO2 + 0.952\\*HO2 + 0.048\\*BALD + 0.704\\*GLY + 0.247\\*MGLY + 0.352\\*FURANONE + 0.600\\*DCB2 | 2.3000E-12 | 2.3000E-12 |\n| ROCARO64 | XYEP + NO3 ----> NO2 + 0.915\\*HO2 + 0.085\\*BALD + 0.549\\*GLY + 0.366\\*MGLY + 0.457\\*FURANONE + 0.457\\*DCB2 | 2.3000E-12 | 2.3000E-12 |\n| R338 | ISOP + NO3 ----> HO2 + NO2 + 0.750\\*HCHO + 0.318\\*MACR + 0.500\\*MVK + 0.024\\*GLY + 0.033\\*HKET + 0.031\\*ALD | 1.2000E-12 | 1.2000E-12 |\n| R339 | APIP1 + NO3 ----> HO2 + NO2 + ALD + KET | 1.2000E-12 | 1.2000E-12 |\n| R340 | LIMP1 + NO3 ----> HO2 + NO2 + 0.385\\*OLI + 0.385\\*HCHO + 0.615\\*MACR | 1.2000E-12 | 1.2000E-12 |\n| R341 | ACO3 + NO3 ----> MO2 + NO2 | 4.0000E-12 | 4.0000E-12 |\n| R342 | RCO3 + NO3 ----> ETHP + NO2 | 4.0000E-12 | 4.0000E-12 |\n| R343 | ACTP + NO3 ----> ACO3 + NO2 + HCHO | 1.2000E-12 | 1.2000E-12 |\n| R344 | MEKP + NO3 ----> 0.670\\*HO2 + NO2 + 0.330\\*HCHO + 0.670\\*DCB1 | 1.2000E-12 | 1.2000E-12 |\n| R345 | KETP + NO3 ----> HO2 + NO2 + DCB1 | 1.2000E-12 | 1.2000E-12 |\n| R346 | MACP + NO3 ----> HCHO + 0.538\\*ACO3 + CO + NO2 | 1.2000E-12 | 1.2000E-12 |\n| R347 | MCP + NO3 ----> NO2 + HO2 + HCHO + HKET | 1.2000E-12 | 1.2000E-12 |\n| R348 | MVKP + NO3 ----> 0.300\\*HO2 + 0.700\\*ACO3 + 0.700\\*XO2 + NO2 + 0.300\\*HCHO + 0.700\\*ALD + 0.300\\*MGLY | 2.5000E-12 | 2.5000E-12 |\n| R349 | UALP + NO3 ----> HO2 + NO2 + 0.610\\*CO + 0.030\\*HCHO + 0.270\\*ALD + 0.700\\*KET + 0.180\\*GLY + 0.210\\*MGLY | 2.5000E-12 | 2.5000E-12 |\n| R350 | BALP + NO3 ----> BAL1 + NO2 | 2.5000E-12 | 2.5000E-12 |\n| R351 | BAL1 + NO3 ----> BAL2 + NO2 | 2.5000E-12 | 2.5000E-12 |\n| R352 | ADDC + NO3 ----> HO2 + NO2 + 0.320\\*HKET + 0.680\\*GLY + 0.680\\*OP2 | 1.2000E-12 | 1.2000E-12 |\n| R353 | MCTP + NO3 ----> NO2 + MCTO | 1.2000E-12 | 1.2000E-12 |\n| R354 | ORAP + NO3 ----> NO2 + GLY + HO2 | 1.2000E-12 | 1.2000E-12 |\n| R355 | OLNN + NO3 ----> HO2 + NO2 + ONIT | 1.2000E-12 | 1.2000E-12 |\n| R356 | OLND + NO3 ----> 2.000\\*NO2 + 0.287\\*HCHO + 1.240\\*ALD + 0.464\\*KET | 1.2000E-12 | 1.2000E-12 |\n| R357 | ADCN + NO3 ----> 2.000\\*NO2 + GLY + OP2 | 1.2000E-12 | 1.2000E-12 |\n| R358 | OLNN + OLNN ----> HO2 + 2.000\\*ONIT | 7.00E-14e 1000.00/T | 2.0032E-12 |\n| R359 | OLNN + OLND ----> 0.500\\*HO2 + 0.500\\*NO2 + 0.202\\*HCHO + 0.640\\*ALD + 0.149\\*KET + 1.500\\*ONIT | 4.25E-14e 1000.00/T | 1.2162E-12 |\n| R360 | OLND + OLND ----> NO2 + 0.504\\*HCHO + 1.210\\*ALD + 0.285\\*KET + ONIT | 2.96E-14e 1000.00/T | 8.4708E-13 |\n| R361 | XO2 + NO3 ----> NO2 | 1.2000E-12 | 1.2000E-12 |\n| R362 | XO2 + RCO3 ----> ETHP | 2.50E-12e 500.00/T | 1.3374E-11 |\n| R363 | XO2 + XO2 ----> | 7.13E-17e 2950.00/T | 1.4130E-12 |\n| TRP41 | APIP2 + APIP1 ----> 0.960\\*HOM + 0.480\\*ROH + 0.480\\*PINAL + 0.480\\*HO + 0.480\\*HO2 + 0.040\\*ELHOM | 1.0000E-10 | 1.0000E-10 |\n| TRP42 | APIP2 + LIMP1 ----> 0.960\\*HOM + 0.480\\*ROH + 0.480\\*LIMAL + 0.480\\*HO + 0.480\\*HO2 + 0.040\\*ELHOM | 1.0000E-10 | 1.0000E-10 |\n| TRP43 | APIP2 + ISOP ----> 0.960\\*HOM + 0.480\\*ROH + 0.480\\*HCHO + 0.480\\*MVK + 0.480\\*HO + 0.480\\*HO2 + 0.040\\*ELHOM | 1.0000E-10 | 1.0000E-10 |\n| TRP44 | LIMP2 + APIP1 ----> 0.960\\*HOM + 0.480\\*ROH + 0.480\\*PINAL + 0.480\\*HO + 0.480\\*HO2 + 0.040\\*ELHOM | 1.0000E-10 | 1.0000E-10 |\n| TRP45 | LIMP2 + LIMP1 ----> 0.960\\*HOM + 0.480\\*ROH + 0.480\\*LIMAL + 0.480\\*HO + 0.480\\*HO2 + 0.040\\*ELHOM | 1.0000E-10 | 1.0000E-10 |\n| TRP46 | LIMP2 + ISOP ----> 0.960\\*HOM + 0.480\\*ROH + 0.480\\*HCHO + 0.480\\*MVK + 0.480\\*HO + 0.480\\*HO2 + 0.040\\*ELHOM | 1.0000E-10 | 1.0000E-10 |\n| TRP47 | APINP2 + APIP1 ----> 0.960\\*HOM + 0.480\\*ROH + 0.480\\*PINAL + 0.480\\*NO2 + 0.480\\*HO2 + 0.040\\*ELHOM | 1.0000E-10 | 1.0000E-10 |\n| TRP48 | APINP2 + LIMP1 ----> 0.960\\*HOM + 0.480\\*ROH + 0.480\\*LIMAL + 0.480\\*NO2 + 0.480\\*HO2 + 0.040\\*ELHOM | 1.0000E-10 | 1.0000E-10 |\n| TRP49 | APINP2 + ISOP ----> 0.960\\*HOM + 0.480\\*ROH + 0.480\\*HCHO + 0.480\\*MVK + 0.480\\*NO2 + 0.480\\*HO2 + 0.040\\*ELHOM | 1.0000E-10 | 1.0000E-10 |\n| TRP50 | LIMNP2 + APIP1 ----> 0.960\\*HOM + 0.480\\*ROH + 0.480\\*PINAL + 0.480\\*NO2 + 0.480\\*HO2 + 0.040\\*ELHOM | 1.0000E-10 | 1.0000E-10 |\n| TRP51 | LIMNP2 + LIMP1 ----> 0.960\\*HOM + 0.480\\*ROH + 0.480\\*LIMAL + 0.480\\*NO2 + 0.480\\*HO2 + 0.040\\*ELHOM | 1.0000E-10 | 1.0000E-10 |\n| TRP52 | LIMNP2 + ISOP ----> 0.960\\*HOM + 0.480\\*ROH + 0.480\\*HCHO + 0.480\\*MVK + 0.480\\*NO2 + 0.480\\*HO2 + 0.040\\*ELHOM | 1.0000E-10 | 1.0000E-10 |\n| RAM17 | IEPOX + HO ----> HO | 5.78E-11e -400.00/T | 1.5110E-11 |\n| R001c | VROCIOXY + HO ----> 0.852\\*ETHP + 0.149\\*ASOATJ | 6.8900E-12 | 6.8900E-12 |\n| R002c | SLOWROC + HO ----> ETHP + 0.001\\*ASOATJ | 6.5500E-14 | 6.5500E-14 |\n| T17 | ACRO + HO ----> 0.570\\*MACP + 0.430\\*MCP | 8.00E-12e 380.00/T | 2.8616E-11 |\n| T18 | ACRO + O3 ----> 0.840\\*CO + 0.560\\*HO2 + 0.280\\*HO + 0.720\\*HCHO + 0.620\\*GLY | 2.9000E-19 | 2.9000E-19 |\n| T19 | ACRO + NO3 ----> 0.680\\*HCHO + 0.320\\*MACP + 0.680\\*XO2 + 0.680\\*MGLY + 0.320\\*HNO3 + 0.680\\*NO2 | 3.4000E-15 | 3.4000E-15 |\n| T20 | ACRO ----> CO + 0.477\\*HO2 + 0.250\\*ETE + 0.354\\*ACO3 + 0.204\\*HO + 0.150\\*HCHO + 0.027\\*MO2 | ACRO_09 | Not Available1 | \n| T10 | BDE13 + HO ----> 0.667\\*BDE13P + 0.333\\*UALD + 0.333\\*HO2 | 1.48E-11e 448.00/T | 6.6502E-11 |\n| T10a | BDE13P + NO ----> 0.968\\*HO2 + 0.968\\*NO2 + 0.895\\*ACRO + 0.895\\*HCHO + 0.072\\*FURAN + 0.032\\*ONIT | 9.0500E-12 | 9.0500E-12 |\n| T10b | BDE13P + NO3 ----> HO2 + NO2 + 0.925\\*ACRO + 0.925\\*HCHO + 0.075\\*FURAN | 2.3000E-12 | 2.3000E-12 |\n| T10c | BDE13P + HO2 ----> OP2 | 1.6100E-11 | 1.6100E-11 |\n| T10d | BDE13P + MO2 ----> 0.320\\*MOH + 1.143\\*HCHO + 0.870\\*HO2 + 0.463\\*ACRO + 0.250\\*OLT + 0.231\\*MVK + 0.037\\*FURAN + 0.019\\*UALD | 2.3900E-12 | 2.3900E-12 |\n| T10e | BDE13P + ACO3 ----> 0.700\\*MO2 + 0.300\\*ORA2 + 0.800\\*HO2 + 0.740\\*ACRO + 0.740\\*HCHO + 0.185\\*MVK + 0.060\\*FURAN + 0.015\\*UALD | 1.3700E-11 | 1.3700E-11 |\n| T11 | BDE13 + O3 ----> 0.620\\*ACRO + 0.630\\*CO + 0.420\\*HO2 + 0.080\\*HO + 0.830\\*HCHO + 0.170\\*ETE | 1.34E-14e -2283.00/T | 6.3331E-18 |\n| T12 | BDE13 + NO3 ----> 0.900\\*OLNN + 0.100\\*OLND + 0.900\\*ACRO | 1.0000E-13 | 1.0000E-13 |\n| R003c | FURAN + HO ----> 0.490\\*DCB1 + 0.490\\*HO2 + 0.510\\*FURANO2 | 5.0100E-11 | 5.0100E-11 |\n| R004c | FURANO2 + NO ----> 0.080\\*ONIT + 0.920\\*NO2 + 0.920\\*FURANONE + 0.750\\*HO2 + 0.170\\*MO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| R005c | FURANO2 + HO2 ----> 0.600\\*OP2 + 0.400\\*FURANONE + 0.400\\*HO + 0.320\\*HO2 + 0.080\\*MO2 | 3.75E-13e 980.00/T | 1.0035E-11 |\n| R006c | FURANONE + HO ----> 0.650\\*KET + 0.310\\*GLY + 0.660\\*HO2 + 0.340\\*MO2 + 0.430\\*CO + 0.040\\*ASOATJ | 4.4000E-11 | 4.4000E-11 |\n| R007c | FURAN + O3 ----> 0.020\\*HO + ALD | 3.4300E-17 | 3.4300E-17 |\n| R008c | FURAN + NO3 ----> NO2 + 0.800\\*DCB1 + 0.200\\*DCB3 | 8.9900E-12 | 8.9900E-12 |\n| R010c | PROG + HO ----> 0.613\\*HKET + 0.387\\*ALD + HO2 | 1.2000E-11 | 1.2000E-11 |\n| R011c | SESQ + NO3 ----> SESQNRO2 | 1.9000E-11 | 1.9000E-11 |\n| R012c | SESQNRO2 + HO2 ----> VROCP0OXY4 | 2.84E-13e 1300.00/T | 2.2230E-11 |\n| R013c | SESQNRO2 + NO ----> VROCP3OXY2 + 2.000\\*NO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| R014c | SESQNRO2 + NO3 ----> VROCP3OXY2 + 2.000\\*NO2 | 2.3000E-12 | 2.3000E-12 |\n| R015c | SESQ + O3 ----> 0.982\\*VROCP3OXY2 + 0.018\\*VROCN2OXY2 | 1.2000E-14 | 1.2000E-14 |\n| R016c | SESQ + HO ----> SESQRO2 | 1.9700E-10 | 1.9700E-10 |\n| R017c | SESQRO2 + HO2 ----> VROCP0OXY2 | 2.84E-13e 1300.00/T | 2.2230E-11 |\n| R019c | SESQRO2 + NO3 ----> VROCP3OXY2 | 2.3000E-12 | 2.3000E-12 |\n| R020c | SESQRO2 + NO ----> 0.247\\*VROCP1OXY3 + 0.753\\*VROCP3OXY2 + 0.753\\*NO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| HET_GLY | GLY ----> AGLYJ | HETERO_GLY | Not Available2 | \n| HET_MGLY | MGLY ----> AGLYJ | HETERO_MGLY | Not Available2 | \n| HET_N2O5 | N2O5 ----> 2.000\\*HNO3 | HETERO_N2O5IJ | Not Available2 | \n| HET_N02 | NO2 ----> 0.500\\*HONO + 0.500\\*HNO3 | HETERO_NO2 | Not Available2 | \n| HAL_Ozone | O3 ----> | SEAWATER*min( 6.701E-11e 1.074E+01P+ 3.415E-08e-6.713E-01P,
2.000E-06) | 2.0000E-064| \n| HET_IEPOX | IEPOX ----> IEPOXP | HETERO_IEPOX | Not Available2 | \n| HET_ISO3TET | IEPOXP ----> AISO3NOSJ | HETERO_ISO3NOSJ | Not Available2 | \n| HET_IEPOXOS | IEPOXP + ASO4J ----> AISO3OSJ | HETERO_ISO3OSJ | Not Available2 | \n| ROCALK1c | VROCP6ALK + HO ----> VROCP6ALKP | 1.5300E-11 | 1.5300E-11 |\n| ROCALK2c | VROCP5ALK + HO ----> VROCP5ALKP | 1.6800E-11 | 1.6800E-11 |\n| ROCALK3c | VROCP4ALK + HO ----> VROCP4ALKP | 2.2400E-11 | 2.2400E-11 |\n| ROCALK4c | VROCP3ALK + HO ----> VROCP3ALKP | 2.6700E-11 | 2.6700E-11 |\n| ROCALK5c | VROCP2ALK + HO ----> VROCP2ALKP | 3.0900E-11 | 3.0900E-11 |\n| ROCALK6c | VROCP1ALK + HO ----> VROCP1ALKP | 3.3800E-11 | 3.3800E-11 |\n| HC1001 | HC10 + HO ----> HC10P | 1.1000E-11 | 1.1000E-11 |\n| ROCALK7c | VROCP6ALKP + NO ----> 0.720\\*VROCP6ALKP2 + 0.280\\*VROCP4OXY2 + 0.720\\*NO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| ROCALK8c | VROCP5ALKP + NO ----> 0.720\\*VROCP5ALKP2 + 0.280\\*VROCP3OXY2 + 0.720\\*NO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| ROCALK9c | VROCP4ALKP + NO ----> 0.720\\*VROCP4ALKP2 + 0.280\\*VROCP2OXY2 + 0.720\\*NO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| ROCALK10c | VROCP3ALKP + NO ----> 0.720\\*VROCP3ALKP2 + 0.280\\*VROCP1OXY1 + 0.720\\*NO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| ROCALK11c | VROCP2ALKP + NO ----> 0.720\\*VROCP2ALKP2 + 0.280\\*VROCP0OXY2 + 0.720\\*NO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| ROCALK12c | VROCP1ALKP + NO ----> 0.720\\*VROCP1ALKP2 + 0.280\\*VROCN1OXY1 + 0.720\\*NO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| HC1002 | HC10P + NO ----> 0.740\\*HC10P2 + 0.260\\*ONIT + 0.740\\*NO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| ROCALK13c | VROCP6ALKP + NO3 ----> VROCP6ALKP2 + NO2 | 2.3000E-12 | 2.3000E-12 |\n| ROCALK14c | VROCP5ALKP + NO3 ----> VROCP5ALKP2 + NO2 | 2.3000E-12 | 2.3000E-12 |\n| ROCALK15c | VROCP4ALKP + NO3 ----> VROCP4ALKP2 + NO2 | 2.3000E-12 | 2.3000E-12 |\n| ROCALK16c | VROCP3ALKP + NO3 ----> VROCP3ALKP2 + NO2 | 2.3000E-12 | 2.3000E-12 |\n| ROCALK17c | VROCP2ALKP + NO3 ----> VROCP2ALKP2 + NO2 | 2.3000E-12 | 2.3000E-12 |\n| ROCALK18c | VROCP1ALKP + NO3 ----> VROCP1ALKP2 + NO2 | 2.3000E-12 | 2.3000E-12 |\n| HC1003 | HC10P + NO3 ----> HC10P2 + NO2 | 2.3000E-12 | 2.3000E-12 |\n| ROCALK19c | VROCP6ALKP + HO2 ----> VROCP3OXY2 | 2.1700E-11 | 2.1700E-11 |\n| ROCALK20c | VROCP5ALKP + HO2 ----> VROCP2OXY2 | 2.2000E-11 | 2.2000E-11 |\n| ROCALK21c | VROCP4ALKP + HO2 ----> VROCP1OXY1 | 2.2500E-11 | 2.2500E-11 |\n| ROCALK22c | VROCP3ALKP + HO2 ----> VROCP0OXY2 | 2.2600E-11 | 2.2600E-11 |\n| ROCALK23c | VROCP2ALKP + HO2 ----> VROCN1OXY1 | 2.2700E-11 | 2.2700E-11 |\n| ROCALK24c | VROCP1ALKP + HO2 ----> VROCN2OXY2 | 2.2700E-11 | 2.2700E-11 |\n| HC1004 | HC10P + HO2 ----> OP2 | 2.66E-13e 1300.00/T | 2.0821E-11 |\n| ROCALK25c | VROCP6ALKP2 ----> HO2 + VROCP3OXY2 | 1.8800E-01 | 1.8800E-01 |\n| ROCALK26c | VROCP5ALKP2 ----> HO2 + VROCP2OXY2 | 1.8800E-01 | 1.8800E-01 |\n| ROCALK27c | VROCP4ALKP2 ----> HO2 + VROCP1OXY1 | 1.8800E-01 | 1.8800E-01 |\n| ROCALK28c | VROCP3ALKP2 ----> HO2 + VROCP0OXY2 | 1.8800E-01 | 1.8800E-01 |\n| ROCALK29c | VROCP2ALKP2 ----> HO2 + VROCN1OXY1 | 1.8800E-01 | 1.8800E-01 |\n| ROCALK30c | VROCP1ALKP2 ----> HO2 + VROCN2OXY2 | 1.8800E-01 | 1.8800E-01 |\n| HC1005 | HC10P2 ----> HO2 + VROCP4OXY2 | 1.8800E-01 | 1.8800E-01 |\n| ROCALK31c | VROCP6ALKP2 + NO ----> 0.140\\*VROCP2OXY2 + 0.860\\*NO2 + 0.860\\*VROCP3OXY2 + 0.860\\*HO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| ROCALK32c | VROCP5ALKP2 + NO ----> 0.140\\*VROCP1OXY3 + 0.860\\*NO2 + 0.860\\*VROCP2OXY2 + 0.860\\*HO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| ROCALK33c | VROCP4ALKP2 + NO ----> 0.140\\*VROCP0OXY2 + 0.860\\*NO2 + 0.860\\*VROCP1OXY1 + 0.860\\*HO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| ROCALK34c | VROCP3ALKP2 + NO ----> 0.140\\*VROCN1OXY1 + 0.860\\*NO2 + 0.860\\*VROCP0OXY2 + 0.860\\*HO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| ROCALK35c | VROCP2ALKP2 + NO ----> 0.140\\*VROCN2OXY2 + 0.860\\*NO2 + 0.860\\*VROCN1OXY1 + 0.860\\*HO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| ROCALK36c | VROCP1ALKP2 + NO ----> VROCN2OXY2 + 0.860\\*NO2 + 0.860\\*HO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| HC1006 | HC10P2 + NO ----> 0.120\\*ONIT + 0.880\\*NO2 + 0.880\\*KET + 0.880\\*HO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| ROCALK37c | VROCP6ALKP2 + NO3 ----> NO2 + VROCP3OXY2 + HO2 | 2.3000E-12 | 2.3000E-12 |\n| ROCALK38c | VROCP5ALKP2 + NO3 ----> NO2 + VROCP2OXY2 + HO2 | 2.3000E-12 | 2.3000E-12 |\n| ROCALK39c | VROCP4ALKP2 + NO3 ----> NO2 + VROCP1OXY1 + HO2 | 2.3000E-12 | 2.3000E-12 |\n| ROCALK40c | VROCP3ALKP2 + NO3 ----> NO2 + VROCP0OXY2 + HO2 | 2.3000E-12 | 2.3000E-12 |\n| ROCALK41c | VROCP2ALKP2 + NO3 ----> NO2 + VROCN1OXY1 + HO2 | 2.3000E-12 | 2.3000E-12 |\n| ROCALK42c | VROCP1ALKP2 + NO3 ----> NO2 + VROCN2OXY2 + HO2 | 2.3000E-12 | 2.3000E-12 |\n| HC1007 | HC10P2 + NO3 ----> NO2 + KET + HO2 | 2.3000E-12 | 2.3000E-12 |\n| ROCALK43c | VROCP6ALKP2 + HO2 ----> VROCP1OXY3 | 2.1700E-11 | 2.1700E-11 |\n| ROCALK44c | VROCP5ALKP2 + HO2 ----> VROCP0OXY2 | 2.2000E-11 | 2.2000E-11 |\n| ROCALK45c | VROCP4ALKP2 + HO2 ----> VROCN1OXY1 | 2.2500E-11 | 2.2500E-11 |\n| ROCALK46c | VROCP3ALKP2 + HO2 ----> VROCN2OXY2 | 2.2600E-11 | 2.2600E-11 |\n| ROCALK47c | VROCP2ALKP2 + HO2 ----> VROCN2OXY2 | 2.2700E-11 | 2.2700E-11 |\n| ROCALK48c | VROCP1ALKP2 + HO2 ----> VROCN2OXY2 | 2.2700E-11 | 2.2700E-11 |\n| HC1008 | HC10P2 + HO2 ----> VROCP2OXY2 | 2.66E-13e 1300.00/T | 2.0821E-11 |\n| ROCARO01 | VROCP6ARO + HO ----> 0.840\\*VROCP6AROP + 0.160\\*HO2 + 0.160\\*VROCP4OXY2 | 1.8100E-11 | 1.8100E-11 |\n| ROCARO02 | VROCP6AROP + HO2 ----> 0.059\\*VROCP4OXY2 + 0.905\\*VROCP1OXY3 + 0.036\\*VROCN2OXY4 | 2.91E-13e 1300.00/T | 2.2778E-11 |\n| ROCARO03 | VROCP6AROP + NO ----> 0.000\\*VROCP4OXY2 + 0.002\\*VROCP2OXY2 + 0.000\\*VROCN1OXY3 + 0.998\\*NO2 + 0.998\\*HO2 + 0.059\\*BALD + 0.469\\*GLY + 0.469\\*MGLY + 0.469\\*FURANONE + 0.469\\*DCB2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| ROCARO04 | VROCP6AROP + NO3 ----> NO2 + 0.941\\*HO2 + 0.059\\*BALD + 0.470\\*GLY + 0.470\\*MGLY + 0.470\\*FURANONE + 0.470\\*DCB2 | 2.3000E-12 | 2.3000E-12 |\n| ROCARO05 | VROCP6AROP + MO2 ----> 0.680\\*HCHO + 1.310\\*HO2 + 0.320\\*MOH + 0.059\\*BALD + 0.470\\*GLY + 0.470\\*MGLY + 0.470\\*FURANONE + 0.470\\*DCB2 | 3.56E-14e 708.00/T | 3.8260E-13 |\n| ROCARO06 | VROCP6AROP + ACO3 ----> 0.700\\*MO2 + 0.941\\*HO2 + 0.300\\*ORA2 + 0.059\\*BALD + 0.470\\*GLY + 0.470\\*MGLY + 0.470\\*FURANONE + 0.470\\*DCB2 | 7.40E-13e 765.00/T | 9.6284E-12 |\n| ROCARO11 | VROCP5ARO + HO ----> 0.840\\*VROCP5AROP + 0.160\\*HO2 + 0.160\\*VROCP3OXY2 | 1.8100E-11 | 1.8100E-11 |\n| ROCARO12 | VROCP5AROP + HO2 ----> 0.059\\*VROCP3OXY2 + 0.905\\*VROCP0OXY2 + 0.036\\*VROCN2OXY4 | 2.91E-13e 1300.00/T | 2.2778E-11 |\n| ROCARO13 | VROCP5AROP + NO ----> 0.000\\*VROCP3OXY2 + 0.002\\*VROCP1OXY3 + 0.000\\*VROCN2OXY4 + 0.998\\*NO2 + 0.998\\*HO2 + 0.059\\*VROCP4OXY2 + 0.469\\*GLY + 0.469\\*MGLY + 0.469\\*FURANONE + 0.469\\*DCB2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| ROCARO14 | VROCP5AROP + NO3 ----> NO2 + 0.941\\*HO2 + 0.059\\*VROCP4OXY2 + 0.470\\*GLY + 0.470\\*MGLY + 0.470\\*FURANONE + 0.470\\*DCB2 | 2.3000E-12 | 2.3000E-12 |\n| ROCARO15 | VROCP5AROP + MO2 ----> 0.680\\*HCHO + 1.310\\*HO2 + 0.320\\*MOH + 0.059\\*VROCP4OXY2 + 0.470\\*GLY + 0.470\\*MGLY + 0.470\\*FURANONE + 0.470\\*DCB2 | 3.56E-14e 708.00/T | 3.8260E-13 |\n| ROCARO16 | VROCP5AROP + ACO3 ----> 0.700\\*MO2 + 0.941\\*HO2 + 0.300\\*ORA2 + 0.059\\*VROCP4OXY2 + 0.470\\*GLY + 0.470\\*MGLY + 0.470\\*FURANONE + 0.470\\*DCB2 | 7.40E-13e 765.00/T | 9.6284E-12 |\n| ROCARO21 | NAPH + HO ----> 0.840\\*NAPHP + 0.160\\*HO2 + 0.160\\*VROCP3OXY2 | 2.3100E-11 | 2.3100E-11 |\n| ROCARO22 | NAPHP + HO2 ----> 0.059\\*VROCP3OXY2 + 0.905\\*VROCP1OXY3 + 0.036\\*VROCN2OXY8 | 2.91E-13e 1300.00/T | 2.2778E-11 |\n| ROCARO23 | NAPHP + NO ----> 0.060\\*VROCP4OXY2 + 0.002\\*VROCP2OXY2 + 0.000\\*VROCN2OXY8 + 0.998\\*NO2 + 0.998\\*HO2 + 0.469\\*GLY + 0.469\\*MGLY + 0.469\\*FURANONE + 0.469\\*DCB2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| ROCARO24 | NAPHP + NO3 ----> NO2 + 0.941\\*HO2 + 0.059\\*VROCP4OXY2 + 0.470\\*GLY + 0.470\\*MGLY + 0.470\\*FURANONE + 0.470\\*DCB2 | 2.3000E-12 | 2.3000E-12 |\n| ROCARO25 | NAPHP + MO2 ----> 0.680\\*HCHO + 1.310\\*HO2 + 0.320\\*MOH + 0.059\\*VROCP4OXY2 + 0.470\\*GLY + 0.470\\*MGLY + 0.470\\*FURANONE + 0.470\\*DCB2 | 3.56E-14e 708.00/T | 3.8260E-13 |\n| ROCARO26 | NAPHP + ACO3 ----> 0.700\\*MO2 + 0.941\\*HO2 + 0.300\\*ORA2 + 0.059\\*VROCP4OXY2 + 0.470\\*GLY + 0.470\\*MGLY + 0.470\\*FURANONE + 0.470\\*DCB2 | 7.40E-13e 765.00/T | 9.6284E-12 |\n| ROCOXY1c | VROCN2OXY8 + HO ----> HO + 0.085\\*VROCN2OXY8 + 0.258\\*DCB1 + 0.258\\*MEK + 0.258\\*ACD + 0.258\\*ALD + 0.258\\*MO2 + 0.258\\*ETHP + 0.258\\*HC3P + 0.258\\*MEKP | 5.9000E-11 | 5.9000E-11 |\n| ROCOXY2c | VROCN2OXY4 + HO ----> HO + 0.464\\*VROCN2OXY8 + 0.198\\*VROCN2OXY4 + 0.012\\*VROCN1OXY6 + 0.015\\*VROCN1OXY3 + 0.062\\*VROCP0OXY4 + 0.039\\*VROCP1OXY3 + 0.049\\*VROCP2OXY2 + 0.040\\*VROCP3OXY2 + 0.018\\*VROCP4OXY2 + 0.031\\*OP3 + 0.004\\*OP2 + 0.079\\*DCB1 + 0.079\\*MEK + 0.079\\*KET + 0.079\\*ACD + 0.079\\*ALD + 0.079\\*MO2 + 0.079\\*ETHP + 0.079\\*HC3P + 0.079\\*MEKP + 0.079\\*HC5P + 0.079\\*KETP | 6.0700E-11 | 6.0700E-11 |\n| ROCOXY3c | VROCN2OXY2 + HO ----> HO + 0.104\\*VROCN2OXY8 + 0.564\\*VROCN2OXY4 + 0.214\\*VROCN2OXY2 + 0.015\\*VROCN1OXY6 + 0.030\\*VROCN1OXY3 + 0.010\\*VROCN1OXY1 + 0.019\\*VROCP0OXY4 + 0.046\\*VROCP0OXY2 + 0.031\\*VROCP1OXY3 + 0.020\\*VROCP1OXY1 + 0.046\\*VROCP2OXY2 + 0.045\\*VROCP3OXY2 + 0.045\\*VROCP4OXY2 + 0.033\\*VROCP5OXY1 + 0.037\\*VROCP6OXY1 + 0.003\\*OP3 + 0.039\\*DCB1 + 0.039\\*HKET + 0.039\\*MEK + 0.039\\*ACD + 0.039\\*ALD + 0.039\\*MO2 + 0.039\\*ETHP + 0.039\\*HC3P + 0.039\\*MEKP + 0.092\\*HC5P | 5.5400E-11 | 5.5400E-11 |\n| ROCOXY4c | VROCN1OXY6 + HO ----> HO + 0.204\\*VROCN2OXY8 + 0.007\\*VROCN2OXY4 + 0.184\\*DCB1 + 0.184\\*MEK + 0.184\\*KET + 0.184\\*ACD + 0.184\\*ALD + 0.184\\*MO2 + 0.184\\*ETHP + 0.184\\*HC3P + 0.184\\*MEKP + 0.184\\*HC5P | 5.6300E-11 | 5.6300E-11 |\n| ROCOXY5c | VROCN1OXY3 + HO ----> HO + 0.279\\*VROCN2OXY8 + 0.403\\*VROCN2OXY4 + 0.009\\*VROCN2OXY2 + 0.032\\*VROCN1OXY6 + 0.008\\*VROCN1OXY3 + 0.019\\*VROCP0OXY4 + 0.010\\*VROCP0OXY2 + 0.051\\*VROCP1OXY3 + 0.007\\*VROCP1OXY1 + 0.051\\*VROCP2OXY2 + 0.046\\*VROCP3OXY2 + 0.051\\*VROCP4OXY2 + 0.014\\*VROCP5OXY1 + 0.013\\*OP2 + 0.065\\*DCB1 + 0.065\\*HKET + 0.065\\*MEK + 0.065\\*ACD + 0.065\\*ALD + 0.065\\*MO2 + 0.065\\*ETHP + 0.065\\*HC3P + 0.065\\*MEKP + 0.175\\*HC5P | 5.4600E-11 | 5.4600E-11 |\n| ROCOXY6c | VROCN1OXY1 + HO ----> HO + 0.007\\*VROCN2OXY8 + 0.119\\*VROCN2OXY4 + 0.726\\*VROCN2OXY2 + 0.012\\*VROCN1OXY6 + 0.030\\*VROCN1OXY3 + 0.007\\*VROCN1OXY1 + 0.029\\*VROCP0OXY4 + 0.045\\*VROCP0OXY2 + 0.023\\*VROCP1OXY3 + 0.035\\*VROCP1OXY1 + 0.062\\*VROCP2OXY2 + 0.052\\*VROCP3OXY2 + 0.051\\*VROCP4OXY2 + 0.035\\*VROCP5OXY1 + 0.075\\*VROCP6OXY1 + 0.016\\*OP3 + 0.006\\*OP2 + 0.024\\*DCB1 + 0.024\\*HKET + 0.024\\*MEK + 0.024\\*ACD + 0.024\\*ALD + 0.024\\*MO2 + 0.024\\*ETHP + 0.024\\*HC3P + 0.024\\*MEKP + 0.054\\*HC5P | 4.5000E-11 | 4.5000E-11 |\n| ROCOXY7c | VROCP0OXY4 + HO ----> HO + 0.282\\*VROCN2OXY8 + 0.117\\*VROCN2OXY4 + 0.032\\*VROCN1OXY6 + 0.018\\*VROCN1OXY3 + 0.001\\*VROCP0OXY4 + 0.066\\*VROCP2OXY2 + 0.053\\*VROCP3OXY2 + 0.025\\*VROCP4OXY2 + 0.005\\*OP2 + 0.107\\*DCB1 + 0.107\\*MEK + 0.107\\*KET + 0.107\\*ACD + 0.107\\*ALD + 0.107\\*MO2 + 0.107\\*ETHP + 0.107\\*HC3P + 0.107\\*MEKP + 0.107\\*HC5P + 0.107\\*KETP | 5.1700E-11 | 5.1700E-11 |\n| ROCOXY8c | VROCP0OXY2 + HO ----> HO + 0.066\\*VROCN2OXY8 + 0.458\\*VROCN2OXY4 + 0.116\\*VROCN2OXY2 + 0.033\\*VROCN1OXY6 + 0.066\\*VROCN1OXY3 + 0.005\\*VROCN1OXY1 + 0.031\\*VROCP0OXY4 + 0.002\\*VROCP0OXY2 + 0.040\\*VROCP1OXY3 + 0.021\\*VROCP1OXY1 + 0.054\\*VROCP2OXY2 + 0.052\\*VROCP3OXY2 + 0.052\\*VROCP4OXY2 + 0.037\\*VROCP5OXY1 + 0.042\\*VROCP6OXY1 + 0.011\\*OP3 + 0.044\\*DCB1 + 0.044\\*HKET + 0.044\\*MEK + 0.044\\*ACD + 0.044\\*ALD + 0.044\\*MO2 + 0.044\\*ETHP + 0.044\\*HC3P + 0.044\\*MEKP + 0.105\\*HC5P | 4.7300E-11 | 4.7300E-11 |\n| ROCOXY9c | VROCP1OXY3 + HO ----> HO + 0.178\\*VROCN2OXY8 + 0.192\\*VROCN2OXY4 + 0.000\\*VROCN2OXY2 + 0.074\\*VROCN1OXY6 + 0.045\\*VROCN1OXY3 + 0.063\\*VROCP0OXY4 + 0.001\\*VROCP0OXY2 + 0.001\\*VROCP1OXY3 + 0.023\\*VROCP2OXY2 + 0.059\\*VROCP3OXY2 + 0.065\\*VROCP4OXY2 + 0.017\\*VROCP5OXY1 + 0.015\\*OP3 + 0.017\\*OP2 + 0.082\\*DCB1 + 0.082\\*HKET + 0.082\\*MEK + 0.082\\*ACD + 0.082\\*ALD + 0.082\\*MO2 + 0.082\\*ETHP + 0.082\\*HC3P + 0.082\\*MEKP + 0.222\\*HC5P | 4.6000E-11 | 4.6000E-11 |\n| ROCOXY10c | VROCP1OXY1 + HO ----> HO + 0.002\\*VROCN2OXY8 + 0.134\\*VROCN2OXY4 + 0.335\\*VROCN2OXY2 + 0.008\\*VROCN1OXY6 + 0.119\\*VROCN1OXY3 + 0.076\\*VROCN1OXY1 + 0.029\\*VROCP0OXY4 + 0.077\\*VROCP0OXY2 + 0.028\\*VROCP1OXY3 + 0.012\\*VROCP1OXY1 + 0.065\\*VROCP2OXY2 + 0.071\\*VROCP3OXY2 + 0.067\\*VROCP4OXY2 + 0.042\\*VROCP5OXY1 + 0.091\\*VROCP6OXY1 + 0.007\\*OP3 + 0.003\\*OP2 + 0.030\\*DCB1 + 0.030\\*HKET + 0.030\\*MEK + 0.030\\*ACD + 0.030\\*ALD + 0.030\\*MO2 + 0.030\\*ETHP + 0.030\\*HC3P + 0.030\\*MEKP + 0.065\\*HC5P | 3.8000E-11 | 3.8000E-11 |\n| ROCOXY11c | VROCP2OXY2 + HO ----> HO + 0.044\\*VROCN2OXY8 + 0.173\\*VROCN2OXY4 + 0.010\\*VROCN2OXY2 + 0.051\\*VROCN1OXY6 + 0.112\\*VROCN1OXY3 + 0.001\\*VROCN1OXY1 + 0.134\\*VROCP0OXY4 + 0.040\\*VROCP0OXY2 + 0.051\\*VROCP1OXY3 + 0.007\\*VROCP1OXY1 + 0.024\\*VROCP2OXY2 + 0.029\\*VROCP3OXY2 + 0.073\\*VROCP4OXY2 + 0.052\\*VROCP5OXY1 + 0.059\\*VROCP6OXY1 + 0.004\\*OP3 + 0.002\\*OP2 + 0.063\\*DCB1 + 0.063\\*HKET + 0.063\\*MEK + 0.063\\*ACD + 0.063\\*ALD + 0.063\\*MO2 + 0.063\\*ETHP + 0.063\\*HC3P + 0.063\\*MEKP + 0.149\\*HC5P | 3.9300E-11 | 3.9300E-11 |\n| ROCOXY12c | VROCP3OXY2 + HO ----> HO + 0.032\\*VROCN2OXY8 + 0.076\\*VROCN2OXY4 + 0.001\\*VROCN2OXY2 + 0.053\\*VROCN1OXY6 + 0.049\\*VROCN1OXY3 + 0.155\\*VROCP0OXY4 + 0.015\\*VROCP0OXY2 + 0.105\\*VROCP1OXY3 + 0.001\\*VROCP1OXY1 + 0.053\\*VROCP2OXY2 + 0.009\\*VROCP3OXY2 + 0.043\\*VROCP4OXY2 + 0.058\\*VROCP5OXY1 + 0.066\\*VROCP6OXY1 + 0.051\\*OP3 + 0.011\\*OP2 + 0.070\\*DCB1 + 0.070\\*HKET + 0.070\\*MEK + 0.070\\*ACD + 0.070\\*ALD + 0.070\\*MO2 + 0.070\\*ETHP + 0.070\\*HC3P + 0.070\\*MEKP + 0.166\\*HC5P | 3.5200E-11 | 3.5200E-11 |\n| ROCOXY13c | VROCP4OXY2 + HO ----> HO + 0.012\\*VROCN2OXY8 + 0.017\\*VROCN2OXY4 + 0.048\\*VROCN1OXY6 + 0.025\\*VROCN1OXY3 + 0.088\\*VROCP0OXY4 + 0.092\\*VROCP1OXY3 + 0.007\\*VROCP1OXY1 + 0.097\\*VROCP2OXY2 + 0.046\\*VROCP3OXY2 + 0.002\\*VROCP4OXY2 + 0.048\\*VROCP5OXY1 + 0.074\\*VROCP6OXY1 + 0.061\\*OP3 + 0.015\\*OP2 + 0.079\\*DCB1 + 0.079\\*HKET + 0.079\\*MEK + 0.079\\*ACD + 0.079\\*ALD + 0.079\\*MO2 + 0.079\\*ETHP + 0.079\\*HC3P + 0.079\\*MEKP + 0.173\\*HC5P | 3.1200E-11 | 3.1200E-11 |\n| ROCOXY14c | VROCP5OXY1 + HO ----> HO + 0.010\\*VROCN2OXY4 + 0.001\\*VROCN2OXY2 + 0.009\\*VROCN1OXY6 + 0.015\\*VROCN1OXY3 + 0.070\\*VROCP0OXY4 + 0.015\\*VROCP0OXY2 + 0.104\\*VROCP1OXY3 + 0.003\\*VROCP1OXY1 + 0.165\\*VROCP2OXY2 + 0.157\\*VROCP3OXY2 + 0.072\\*VROCP4OXY2 + 0.006\\*VROCP5OXY1 + 0.140\\*VROCP6OXY1 + 0.022\\*OP3 + 0.038\\*OP2 + 0.053\\*DCB1 + 0.053\\*HKET + 0.053\\*MEK + 0.053\\*ACD + 0.053\\*ALD + 0.053\\*MO2 + 0.053\\*ETHP + 0.053\\*HC3P + 0.053\\*MEKP + 0.128\\*HC5P | 2.4000E-11 | 2.4000E-11 |\n| ROCOXY15c | VROCP6OXY1 + HO ----> HO + 0.006\\*VROCN1OXY6 + 0.005\\*VROCN1OXY3 + 0.022\\*VROCP0OXY4 + 0.050\\*VROCP1OXY3 + 0.002\\*VROCP1OXY1 + 0.088\\*VROCP2OXY2 + 0.138\\*VROCP3OXY2 + 0.146\\*VROCP4OXY2 + 0.043\\*VROCP5OXY1 + 0.096\\*VROCP6OXY1 + 0.032\\*OP3 + 0.059\\*OP2 + 0.057\\*DCB1 + 0.057\\*HKET + 0.057\\*MEK + 0.057\\*ACD + 0.057\\*ALD + 0.057\\*MO2 + 0.057\\*ETHP + 0.057\\*HC3P + 0.057\\*MEKP + 0.154\\*HC5P | 2.0500E-11 | 2.0500E-11 |\n| ROCOXY16c | OP3 + HO ----> HO + 0.119\\*VROCN2OXY8 + 0.001\\*VROCN2OXY4 + 0.039\\*VROCN1OXY6 + 0.011\\*VROCP0OXY4 + 0.227\\*DCB1 + 0.227\\*MEK + 0.227\\*ACD + 0.227\\*ALD + 0.227\\*MO2 + 0.227\\*ETHP + 0.227\\*HC3P + 0.227\\*MEKP | 4.6900E-11 | 4.6900E-11 |\n\n0Units molecules/(sec*cm3); Value at 298.15 K; 2.4615E+19 molecules/cm3; 1.00 Atm. \n1Photolysis Reaction;depends on radiation and predicted concentrations \n2Heterogeneous Reaction; depends on predicted concentrations \n4Set to zero if sun is below the horizon. SEAWATER equals surface fraction covered by ice free open ocean plus surf zones. P equals air pressure in atmospheres. \n8Rate constant scaled as reverse equilibrium to constant for listed reaction \n" }, { "path": "CCTM/src/MECHS/mechanism_information/cracmm2/cracmm2_species_table.md", "content": "Gas (G) and particle (P) species from the namelists. SMILES link to representative structures in the EPA Chemicals Dashboard (if available).\n\nNote that for each particulate species in CMAQ, a letter will be appended to the name to designate the size, or mode, of the aerosol being represented: I = Aitken mode, J = Accumulation mode, K = Coarse mode. Prepending of a species with a V or A in CMAQ or the chemical mechanism files indicates the species resides in the gas or particulate phase. \n\n Species | Description | Phase | Molecular Weight (g/mol) | Explicit/ Lumped | Representative Structure | SMILES \n ----- | ----- | ----- | ----- | ----- | ----- | ----- \nAAL|Aluminum ion|P|27.0|E|Aluminum ion|[\\[Al+3\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID70912343)\nACA|Calcium ion|P|40.1|E|Calcium ion|[\\[Ca++\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID7037638)\nACD|Acetaldehyde |G|44.0|E|Acetaldehyde|[CC=O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID5039224)\nACE|Acetylene |G|26.0|E|Acetylene|[C#C](https://comptox.epa.gov/dashboard/chemical/details/DTXSID6026379)\nACL|Chloride ion|P|35.5|E|Chloride ion|[\\[Cl-\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID6043969)\nACO3|Acetyl peroxy radicals|G|75.0|E|Acetylperoxy|[CC\\(=O\\)O\\[O\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID40957943)\nACORS|Primary unspeciated coarse PM|P|100.0|L|Coarse PM|\nACRO|Acrolein|G|56.1|E|Acrolein|[C=CC=O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020023)\nACT|Acetone|G|58.0|E|Acetone|[CC\\(C\\)=O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021482)\nACTP|Peroxy radicals formed from ACT|G|89.0|E|(2-oxopropyl)peroxy|CC\\(=O\\)CO\\[O\\]\nADCN|Aromatic-NO3 adduct from PHEN|G|155.0|L|4-oxocyclohex-2-en-1-yl nitrate|OC1=C\\[C\\]C\\(O\\[N+\\]\\(\\[O-\\]\\)=O\\)C=C1\nADDC|Aromatic-HO adduct from CSL|G|125.0|L|3-methyl-5-oxocyclohex-3-en-1-yloxidanyl|CC1=CC\\(O\\)=CC\\(\\[O\\]\\)C1\nAEC|Elemental carbon|P|12.0|L|Carbon|\\[C\\]\nAFE|Iron ion|P|55.8|E|Iron ion|[\\[Fe++\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042672)\nAGLY|SOA from reactive uptake of glyoxal on particles|P|66.4|L|2-(4,5-dihydroxy-1,3-dioxolan-2-yl)-1,3-dioxolane-4,5-diol|OC2OC\\(C1OC\\(O\\)C\\(O\\)O1\\)OC2O\nAH2O|Water associated with particulate inorganic compounds|P|18.0|E|Water|[O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID6026296)\nAH3OP|Hydronium ion tracer|P|19.0|E|Hydronium ion|[\\[OH3+\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID20893597)\nAISO3NOS|Non-sulfated SOA from IEPOX uptake|P|136.2|L|2-methylbutane-1,2,3,4-tetrol|C\\(O\\)C\\(O\\)\\(C\\)C\\(O\\)CO\nAISO3OS|Organosulfate SOA from IEPOX uptake|P|216.2|L|(1,3,4-trihydroxy-2-methylbutan-2-yl)oxysulfonic acid|C\\(O\\)C\\(OS\\(O\\)\\(=O\\)\\(=O\\)\\)\\(C\\)C\\(O\\)CO\nAISO4|Multifunctional product from heterogeneous uptake of IPX|P|168.1|L|4-hydroperoxy-3-methylbutane-1,1,2,3-tetrol|CC\\(O\\)\\(COO\\)C\\(O\\)C\\(O\\)O\nAISO5|Multifunctional product from heterogeneous uptake of INALD|P|150.1|L|2-hydroperoxy-3,4-dihydroxy-3-methylbutanal|CC\\(O\\)\\(CO\\)C\\(OO\\)C=O\nAK|Potassium ion|P|39.1|E|Potassium ion|[\\[K+\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID9042671)\nALD|C3 and higher aldehydes|G|58.0|L|Propanal|[CCC=O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021658)\nAMG|Magnesium ion|P|24.3|E|Magnesium ion|\\[Mg++\\]\nAMN|Manganese ion|P|54.9|L|Manganese ions|[\\[Mn++\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID00167687)\nANA|Sodium ion|P|23.0|E|Sodium ion|[\\[Na+\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID8037671)\nANH4|Ammonium ion|P|18.0|E|Ammonium ion|[\\[NH4+\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID5043974)\nANO3|Nitrate ion|P|62.0|E|Nitrate ion|[\\[N+\\]\\(=O\\)\\(\\[O-\\]\\)\\[O-\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024217)\nAORGC|SOA from cloud processing of GLY and MGLY|P|177.0|L|2-(4,5-dihydroxy-1,3-dioxolan-2-yl)-1,3-dioxolane-4,5-diol|OC2OC\\(C1OC\\(O\\)C\\(O\\)O1\\)OC2O\nAORGH2O|Water associated with particulate organic compounds|P|18.0|E|Water|[O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID6026296)\nAOTHR|Primary unspeciated fine PM|P|200.0|L|Unspeciated PM|\nAPI|Alpha-pinenes and other cyclic terpenes with one double bond|G|136.4|L|alpha-pinene|[CC1=CCC2CC1C2\\(C\\)C](https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026501)\nAPINP1|Peroxy radicals from API+NO3 that do not undergo autoxidation|G|230.0|L|[2,6,6-trimethyl-3-(nitrooxy)bicyclo[3.1.1]heptan-2-yl]peroxy|\\[O\\]OC1\\(C\\)C\\(ON\\(=O\\)=O\\)CC2CC1C2\\(C\\)C\nAPINP2|Peroxy radicals from API+NO3 that undergo autoxidation|G|230.0|L|[2,6,6-trimethyl-3-(nitrooxy)bicyclo[3.1.1]heptan-2-yl]peroxy|\\[O\\]OC1\\(C\\)C\\(ON\\(=O\\)=O\\)CC2CC1C2\\(C\\)C\nAPIP1|Peroxy radicals from API+OH that do not undergo autoxidation|G|185.0|L|{3-hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-2-yl}peroxy|\\[O\\]OC1\\(C\\)C\\(O\\)CC2CC1C2\\(C\\)C\nAPIP2|Peroxy radicals from API+OH that undergo autoxidation|G|185.0|L|{3-hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-2-yl}peroxy|\\[O\\]OC1\\(C\\)C\\(O\\)CC2CC1C2\\(C\\)C\nAPNCOM|Primary non-carbon organic matter (legacy)|P|220.0|L|Non-carbon organic matter|\nAPOC|Primary organic carbon (legacy)|P|220.0|L|Organic carbon|\nASEACAT|Sea spray cations|P|23.75|L|Coarse sea spray cations|\nASI|Silicon|P|28.1|E|Total Silicon|[\\[Si\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID0051441)\nASO4|Total sulfur IV as sulfate|P|96.0|L|Sulfate ion|[\\[O-\\]S\\(=O\\)\\(=O\\)\\[O-\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042425)\nASOAT|An empirical SOA|P|200.0|L|3,4,5,6,7-Pentahydroxyheptan-2-one|[CC\\(=O\\)C\\(C\\(C\\(C\\(CO\\)O\\)O\\)O\\)O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID80956455)\nASOIL|Lumped crustal species|P|100.0|L|Crustal species|\nATI|Titanium|P|47.9|E|Total Titanium|[\\[Ti\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047764)\nBAL1|Peroxy radicals formed from BALD |G|123.0|L|(4-methylphenyl)peroxy|\\[O\\]OC1=CC=C\\(C\\)C=C1\nBAL2|Peroxy radicals formed from BALD |G|109.0|L|phenylperoxy|\\[O\\]OC1=CC=CC=C1\nBALD|Benzaldehyde and other aromatic aldehydes|G|106.0|L|Benzaldehyde|[O=CC1=CC=CC=C1](https://comptox.epa.gov/dashboard/chemical/details/DTXSID8039241)\nBALP|Peroxy radicals formed from BALD |G|137.0|L|benzoylperoxy|O=C\\(O\\[O\\]\\)C1=CC=CC=C1\nBDE13|1,3-butadiene|G|54.1|E|1,3-Butadiene|[C=CC=C](https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020203)\nBDE13P|Peroxy radicals from BDE13|G|103.0|L|(1-hydroxybut-3-en-2-yl)peroxy|C=CC\\(O\\[O\\]\\)CO\nBEN|Benzene|G|78.11|E|Benzene|[C1=CC=CC=C1](https://comptox.epa.gov/dashboard/chemical/details/DTXSID3039242)\nBENP|Peroxy radicals formed from benzene|G|159.12|L|{8-hydroxy-6,7-dioxabicyclo[3.2.1]oct-3-en-2-yl}peroxy|\\[O\\]OC1C=CC2OOC1C2O\nCHO|Phenoxy radical formed from CSL|G|139.0|L|4-hydroxy-3,5-dimethylcyclohexa-2,5-dien-1-yloxidanyl|\\[O\\]C1C=C\\(C\\)C\\(O\\)C\\(=C1\\)C\nCO|Carbon monoxide|G|28.0|E|Carbon monoxide|[\\[C-\\]#\\[O+\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027273)\nCSL|Cresol and other hydroxy substituted aromatics |G|136.2|L|2-Phenylpropan-2-ol|[CC\\(C\\)\\(O\\)C1=CC=CC=C1](https://comptox.epa.gov/dashboard/chemical/details/DTXSID3027247)\nDCB1|Unsaturated dicarbonyls|G|98.0|L|2-methylbut-2-enedial|O=CC=C\\(C\\)C=O\nDCB2|Unsaturated dicarbonyls|G|112.1|L|2-methyl-4-oxopent-2-enal|O=CC\\(=CC\\(=O\\)C\\)C\nDCB3|Unsaturated dicarbonyls|G|84.0|L|but-2-enedial|O=CC=CC=O\nEBZ|Ethylbenzene|G|106.2|L|Ethylbenzene|[CCC1=CC=CC=C1](https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020596)\nEBZP|Peroxy radicals from EBZ|G|187.17|L|{5-ethyl-8-hydroxy-6,7-dioxabicyclo[3.2.1]oct-3-en-2-yl}peroxy|\\[O\\]OC1C=CC2\\(CC\\)OOC1C2O\nECH4|Methane|G|16.0|E|Methane|[C](https://comptox.epa.gov/dashboard/chemical/details/DTXSID8025545)\nELHOM|Extremely-low volatility highly oxygenated molecules from terpenes|GP|402.0|L|6-hydroperoxy-7-({3-hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-2-yl}peroxy)-3,3,6-trimethyl-tetrahydro-3aH-1,2-benzodioxol-5-ol|OC1CC2C\\(OOC2\\(C\\)C\\)C\\(OOC3\\(C\\)C4C\\(C\\)\\(C\\)C\\(C4\\)CC3O\\)C1\\(C\\)OO\nEOH|Ethanol|G|46.1|E|Ethanol|[CCO](https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020584)\nETE|ethene |G|28.1|E|Ethylene|[C=C](https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026378)\nETEG|Ethylene glycol|G|62.1|E|Ethylene glycol|[OCCO](https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020597)\nETEP|Peroxy radicals formed from ETE|G|77.0|E|(2-hydroxyethyl)peroxy|OCCO\\[O\\]\nETH|ethane |G|30.1|E|Ethane|[CC](https://comptox.epa.gov/dashboard/chemical/details/DTXSID6026377)\nETHP|Peroxy radicals formed from ethane and other species |G|61.0|L|Ethylperoxy|[CCO\\[O\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID90953652)\nFURAN|Furans and other dienes|G|96.1|L|Furfural|[O=CC1=CC=CO1](https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020647)\nFURANO2|Peroxy radicals from FURAN oxidation|G|145.1|L|(2-formyl-5-hydroxy-5H-furan-2-yl)peroxy|OC1C=CC\\(O1\\)\\(O\\[O\\]\\)\\(C=O\\)\nFURANONE|Ring-retaining ketone product from FURAN oxidation|G|100.1|L|2-hydroxy-2H-furan-5-one|[C1=CC\\(=O\\)OC1O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID10930763)\nGLY|Glyoxal and glycoaldehydes |G|58.0|L|Glyoxal|[O=CC=O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID5025364)\nH2O2|Hydrogen peroxide|G|34.0|E|Hydrogen peroxide|[OO](https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020715)\nHC10|Alkanes and other species with HO rate constant greater than 6.8x10-12 cm3 s-1|G|142.28|L|Decane|[CCCCCCCCCC](https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024913)\nHC10P|Peroxy radicals formed from HC10 |G|173.27|L|Decan-3-ylperoxy|CCCCCCCC\\(CC\\)O\\[O\\]\nHC10P2|Hydroxy peroxy radicals from HC10P alkoxy product|G|189.27|L|(8-hydroxydecan-5-yl)peroxy|CCCCC\\(O\\[O\\]\\)CCC\\(O\\)CC\nHC3|Alkanes and other species with HO rate constant less than 3.4x10-12 cm3 s-1 |G|44.1|L|Propane|[CCC](https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026386)\nHC3P|Peroxy radicals formed from HC3|G|75.0|L|Isopropyl peroxy|CC\\(C\\)O\\[O\\]\nHC5|Alkanes and other species with HO rate constant between 3.4x10-12 and 6.8x10-12 cm3 s-1 |G|72.1|L|Pentane|[CCCCC](https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025846)\nHC5P|Peroxy radicals formed from HC5|G|103.0|L|Pentan-3-ylperoxy|CCC\\(O\\[O\\]\\)CC\nHCHO|Formaldehyde |G|30.0|E|Formaldehyde|[C=O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020637)\nHCL|Hydrochloric acid|G|36.0|E|Hydrochloric acid|[Cl](https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020711)\nHKET|Hydroxy ketone |G|74.0|L|Hydroxy acetone|[CC\\(=O\\)CO](https://comptox.epa.gov/dashboard/chemical/details/DTXSID8051590)\nHNO3|Nitric acid|G|63.0|E|Nitric acid|[\\[N+\\]\\(=O\\)\\(O\\)\\[O-\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID5029685)\nHNO4|Pernitric acid |G|79.0|E|Hydroxy nitrate|[\\[N+\\]\\(=O\\)\\(\\[O-\\]\\)OO](https://comptox.epa.gov/dashboard/chemical/details/DTXSID201030501)\nHO|Hydroxy radical|G|17.0|E|Hydroxyl radical|\\[OH\\]\nHO2|Hydroperoxy radical|G|33.0|E|Hydroperoxy|[O\\[O-\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID30894777)\nHOM|Highly oxygenated molecules from terpenes|GP|250.0|L|6,7-dihydroperoxy-3,3,6-trimethyl-tetrahydro-3aH-1,2-benzodioxol-5-ol|OC1CC2C\\(OOC2\\(C\\)C\\)C\\(OO\\)C1\\(C\\)OO\nHONIT|Second generation monoterpene nitrates|GP|265.0|L|2-(3-hydroperoxy-4,5-dihydroxy-4-methylcyclohexyl)propan-2-yl nitrate|CC\\(C\\)\\(O\\[N+\\]\\(\\[O-\\]\\)=O\\)C1CC\\(O\\)C\\(C\\)\\(O\\)C\\(C1\\)OO\nHONO|Nitrous acid |G|47.0|E|Nitrous acid|[N\\(=O\\)O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID7064813)\nIEPOX|isoprene epoxydiols |G|118.1|E|Isoprene epoxydiol|OCC1OC1\\(C\\)CO\nIEPOXP|IEPOX intermediate (tracking species)|G|118.1||NA|\nINALD|Isoprene nitrates|G|195.1|L|2-hydroperoxy-4-hydroxy-3-methyl-3-(nitrooxy)butanal|CC\\(CO\\)\\(O\\[N+\\]\\(=O\\)O\\)C\\(C=O\\)OO\nINO2|Isoprene nitrate-derived peroxy radicals|G|162.1|L|[(2E)-3-methyl-4-(nitrooxy)but-2-en-1-yl]peroxy|C/C\\(=C\\CO\\[O\\]\\)CON\\(=O\\)=O\nIPX|Isoprene tetrafunctional compounds|G|150.1|L|3-(1-hydroperoxy-2-hydroxypropan-2-yl)oxiran-2-ol|CC\\(O\\)\\(COO\\)C1OC1O\nISHP|Beta-hydroxy hydroperoxides from ISOP+HO2|G|118.0|L|2-hydroperoxy-2-methylbut-3-en-1-ol|C=CC\\(OO\\)\\(CO\\)C\nISO|Isoprene |G|68.1|E|Isoprene|[CC\\(=C\\)C=C](https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020761)\nISON|Beta-hydroxyalkylnitrates from ISOP+NO alkylnitrates from ISO+NO3|G|147.0|L|2-methyl-2-(nitrooxy)but-3-en-1-ol|OCC\\(C\\)\\(C=C\\)ON\\(=O\\)=O\nISOP|Peroxy radicals formed from ISO+HO |G|117.0|L|(1-hydroxy-3-methylbut-3-en-2-yl)peroxy|OCC\\(O\\[O\\]\\)C\\(C\\)=C\nKET|ketones|G|86.0|L|Diethylketone|[CCC\\(=O\\)CC](https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021820)\nKETP|Peroxy radicals formed from KET|G|117.0|L|(3-oxopentan-2-yl)peroxy|CCC\\(C\\(C\\)O\\[O\\]\\)=O\nLIM|d-limonene and other cyclic diene-terpenes |G|136.3|L|D-Limonene|[CC\\(=C\\)\\[C@@H\\]1CCC\\(C\\)=CC1](https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020778)\nLIMAL|Limonene aldehyde and similar LIM-derived aldehydes|G|168.0|L|Limonaldehyde|O=CCC\\(CCC\\(=O\\)C\\)C\\(=C\\)C\nLIMALP|Peroxy radicals from LIMAL|G|217.0|L|[1-hydroxy-2-methyl-5-oxo-3-(3-oxobutyl)pentan-2-yl]peroxy|O=CCC\\(CCC\\(=O\\)C\\)C\\(C\\)\\(CO\\)O\\[O\\]\nLIMNP1|Peroxy radicals from LIM+NO3 that do not undergo autoxidation|G|230.0|L|[1-methyl-2-(nitrooxy)-4-(prop-1-en-2-yl)cyclohexyl]peroxy|\\[O-\\]\\[N+\\]\\(=O\\)OC1CC\\(CCC1\\(C\\)O\\[O\\]\\)C\\(=C\\)C\nLIMNP2|Peroxy radicals from LIM+NO3 that undergo autoxidation|G|230.0|L|[1-methyl-2-(nitrooxy)-4-(prop-1-en-2-yl)cyclohexyl]peroxy|\\[O-\\]\\[N+\\]\\(=O\\)OC1CC\\(CCC1\\(C\\)O\\[O\\]\\)C\\(=C\\)C\nLIMP1|Peroxy radicals from LIM+OH that do not undergo autoxidation|G|185.0|L|[2-hydroxy-1-methyl-4-(prop-1-en-2-yl)cyclohexyl]peroxy|\\[O\\]OC1\\(C\\)CCC\\(CC1O\\)C\\(=C\\)C\nLIMP2|Peroxy radicals from LIM+OH that undergo autoxidation|G|185.0|L|[2-hydroxy-1-methyl-4-(prop-1-en-2-yl)cyclohexyl]peroxy|\\[O\\]OC1\\(C\\)CCC\\(CC1O\\)C\\(=C\\)C\nMACP|Peroxy radicals formed from MACR+HO|G|101.0|L|(2-methylprop-2-enoyl)peroxy|CC\\(=C\\)C\\(=O\\)O\\[O\\]\nMACR|methacrolein and other C4 aldehydes |G|70.0|L|Methacrolein|[CC\\(=C\\)C=O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID0052540)\nMAHP|Hydroperoxides from MACP+HO2 |G|102.0|L|2-methylprop-2-eneperoxoic acid|C=C\\(C\\)C\\(OO\\)=O\nMCP|Peroxy radical formed from MACR + HO which does not form MPAN|G|119.0|L|(1-hydroxy-2-methyl-3-oxopropan-2-yl)peroxy|OCC\\(C\\)\\(O\\[O\\]\\)C=O\nMCT|Methyl catechol|G|124.1|L|4-Methylcatechol|[CC1=CC\\(O\\)=C\\(O\\)C=C1](https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020861)\nMCTO|Alkoxy radical formed from MCT+HO and MCT+NO3|G|123.0|L|3-hydroxy-5-methylphenyloxidanyl|CC1=CC\\(O\\)=CC\\(\\[O\\]\\)=C1\nMCTP|Radical formed fro MCT+O3 reaction |G|172.0|L|C7H8O5 Biradical|CC\\(/C=C\\\\[C\\]\\(O\\[O\\]\\)O\\)=C/C\\(O\\)=O\nMEK|Methyl ethyl ketone|G|72.1|E|Methyl ethyl ketone|[CCC\\(C\\)=O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021516)\nMEKP|Peroxy radicals formed from MEK|G|103.0|L|(3-oxobutyl)peroxy|\\[O\\]OCCC\\(=O\\)C\nMGLY|Methylglyoxal and other alpha-carbonyl aldehydes |G|72.0|L|Methyl glyoxal|[CC\\(=O\\)C=O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021628)\nMO2|Methyl peroxy radical|G|47.0|E|Methylperoxy|[CO\\[O\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID10944007)\nMOH|Methanol |G|32.0|E|Methanol|[CO](https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021731)\nMPAN|Peroxymethacryloylnitrate and other higher peroxyacylnitrates from isoprene oxidation|G|147.1|L|Peroxymethacryloyl nitrate|[O=N\\(=O\\)OOC\\(=O\\)C\\(=C\\)C](https://comptox.epa.gov/dashboard/chemical/details/DTXSID10236878)\nMVK|Methyl vinyl ketone|G|70.1|E|Methyl vinyl ketone|[CC\\(=O\\)C=C](https://comptox.epa.gov/dashboard/chemical/details/DTXSID3025671)\nMVKP|Peroxy radicals formed from MVK|G|119.0|L|(2-hydroxy-3-oxobutyl)peroxy|CC\\(=O\\)C\\(O\\)CO\\[O\\]\nN2O5|Dinitrogen pentoxide |G|108.0|E|Dinitrogen pentoxide|[\\[N+\\]\\(=O\\)\\(\\[O-\\]\\)O\\[N+\\]\\(=O\\)\\[O-\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID90143672)\nNAPH|Naphthalene and other PAHs|G|128.17|L|Naphthalene|[C1=CC2=CC=CC=C2C=C1](https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020913)\nNAPHP|Peroxy radicals from NAPH oxidation|G|209.17|L|{8-hydroxy-10,11-dioxatricyclo[7.2.1.0^{2,7}]dodeca-2,4,6-trien-12-yl}peroxy|C12=CC=CC=C1C3OOC\\(C3O\\[O\\]\\)C2\\(O\\)\nNH3|Ammonia|G|17.0|E|Ammonia|[N](https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023872)\nNO|Nitric oxide |G|30.0|E|Nitric oxide|[\\[N\\]=O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020938)\nNO2|Nitrogen dioxide |G|46.0|E|Nitrogen dioxide|[N\\(=O\\)\\[O\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020974)\nNO3|Nitrogen trioxide|G|62.0|E|Nitrate radical|\\[O\\]N\\(=O\\)=O\nNUM|Number of particles|P|1.0|L|Number of particles|\nO1D|Excited state oxygen atom, O(1D) |G|16.0|E|Excited oxygen|[\\[O\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID00170378)\nO3|Ozone|G|48.0|E|Ozone|[\\[O-\\]\\[O+\\]=O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021098)\nO3P|Ground state oxygen atom, O(3P)|G|16.0|E|Ground state oxygen|[\\[O\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID00170378)\nOLI|Internal alkenes |G|70.1|L|2-Methyl-2-butene|[CC=C\\(C\\)C](https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027165)\nOLIP|Peroxy radicals formed from OLI|G|119.0|L|(3-hydroxy-2-methylbutan-2-yl)peroxy|\\[O\\]OC\\(C\\)\\(C\\)C\\(C\\)O\nOLND|NO3-alkene adduct reacting via decomposition |G|136.0|L|[1-(nitrooxy)propan-2-yl]peroxy|CC\\(O\\[O\\]\\)CO\\[N+\\]\\(\\[O-\\]\\)=O\nOLNN|NO3-alkene adduct reacting to form carbonitrates + HO2 |G|136.0|L|[1-(nitrooxy)propan-2-yl]peroxy|CC\\(O\\[O\\]\\)CO\\[N+\\]\\(\\[O-\\]\\)=O\nOLT|Terminal alkenes |G|42.0|L|1-Propene|[CC=C](https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021205)\nOLTP|Peroxy radicals formed from OLT|G|91.0|L|(1-hydroxypropan-2-yl)peroxy|CC\\(CO\\)O\\[O\\]\nONIT|Organic nitrates|G|119.0|L|Butan-2-yl nitrate|[CCC\\(C\\)O\\[N+\\]\\(=O\\)\\[O-\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID00871813)\nOP1|Methyl hydrogen peroxide |G|48.0|E|Methyl hydroperoxide|[COO](https://comptox.epa.gov/dashboard/chemical/details/DTXSID10184401)\nOP2|Higher organic peroxides |G|62.0|L|Ethyl hydroperoxide|[CCOO](https://comptox.epa.gov/dashboard/chemical/details/DTXSID70184402)\nOP3|Semivolatile organic peroxide|GP|176.2|L|5-hydroperoxy-6-hydroxyoctan-3-one|CCC\\(=O\\)CC\\(OO\\)C\\(O\\)CC\nOPB|Terpene-derived peroxides|G|186.2|L|2-hydroperoxy-2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol|OOC1\\(C\\)C\\(O\\)CC2CC1C2\\(C\\)C\nORA1|Formic acid|G|46.0|E|Formic acid|[OC=O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024115)\nORA2|Acetic acid and higher acids |G|60.2|L|Acetic acid|[CC\\(O\\)=O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024394)\nORAP|Peroxy radical formed from ORA2 + HO reaction|G|91.0|L|(carboxymethyl)peroxy|\\[O\\]OCC\\(=O\\)O\nPAA|Peroxyacetic acids and higher analogs|G|76.0|L|Peroxyacetic acid|[CC\\(=O\\)OO](https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025853)\nPAN|Peroxyacetyl nitrate and higher saturated PANs |G|121.0|L|Peroxyacetyl nitrate|[CC\\(=O\\)OON\\(=O\\)=O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID4062301)\nPHEN|phenol and benzene diols|G|110.1|L|Resorcinol|[OC1=CC\\(O\\)=CC=C1](https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021238)\nPINAL|Pinonaldehyde and similar APIN-derived aldehydes|G|168.0|L|Pinonaldehyde|O=CCC1CC\\(C\\(=O\\)C\\)C1\\(C\\)C\nPINALP|Peroxy radicals from PINAL oxidation|G|199.0|L|[3-acetyl-2,2-dimethyl-1-(2-oxoethyl)cyclobutyl]peroxy|O=CCC1\\(O\\[O\\]\\)CC\\(C\\(=O\\)C\\)C1\\(C\\)C\nPPN|Peroxypropionyl nitrate|G|135.0|E|Peroxypopionyl nitrate|[CCC\\(=O\\)OO\\[N+\\]\\(=O\\)\\[O-\\]](https://comptox.epa.gov/dashboard/chemical/details/DTXSID90206675)\nPROG|Propylene glyocol and other 3 carbon dialcohols|G|76.1|E|1,2-Propylene glycol|[CC\\(O\\)CO](https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021206)\nRCO3|Higher saturated acyl peroxy radicals|G|89.0|L|Propanoylperoxy|CCC\\(=O\\)O\\[O\\]\nROCIOXY|Intermediate volatility oxygenated ROC species (directly emitted)|G|247.0|L|Decamethylcyclopentasiloxane|[C\\[Si\\]1\\(C\\)O\\[Si\\]\\(C\\)\\(C\\)O\\[Si\\]\\(C\\)\\(C\\)O\\[Si\\]\\(C\\)\\(C\\)O\\[Si\\]\\(C\\)\\(C\\)O1](https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027184)\nROCN1ALK|Alkane-like ROC species with C* of 10-1 μg m-3|GP|408.8|L|5,9-Dimethylheptacosane|[CCCCCCCCCCCCCCCCCCC\\(C\\)CCCC\\(C\\)CCCC](https://comptox.epa.gov/dashboard/chemical/details/DTXSID40823452)\nROCN1OXY1|Oxygenated ROC species with C* of 10-1 μg m-3 and O:C of 0.1|GP|312.5|L|Arachidic Acid|[CCCCCCCCCCCCCCCCCCCC\\(=O\\)O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID1060134)\nROCN1OXY3|Oxygenated ROC species with C* of 10-1 μg m-3 and O:C of 0.3|GP|230.3|L|DODECANEDIOIC ACID|[C\\(CCCCCC\\(=O\\)O\\)CCCCC\\(=O\\)O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID3027297)\nROCN1OXY6|Oxygenated ROC species with C* of 10-1 μg m-3 and O:C of 0.6|GP|190.2|L|2-hydroxy-octanedioic acid|C\\(CCC\\(C\\(=O\\)O\\)O\\)CCC\\(=O\\)O\nROCN2ALK|Alkane-like ROC species with C* of 10-2 μg m-3|GP|422.83|L|Triacontane|[CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC](https://comptox.epa.gov/dashboard/chemical/details/DTXSID0060935)\nROCN2OXY2|Oxygenated ROC species with C* of 10-1 μg m-3 and O:C of 0.2|GP|282.4|L|12(S)-hydroxy-16-Heptadecynoic Acid|C#CCCC\\[C@H\\]\\(CCCCCCCCCCC\\(=O\\)O\\)O\nROCN2OXY4|Oxygenated ROC species with C* of 10-2 μg m-3 and O:C of 0.4|GP|232.3|L|2-HYDROXYUNDECANEDIOIC ACID|[C\\(CCCCC\\(=O\\)O\\)CCCC\\(C\\(=O\\)O\\)O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID90726525)\nROCN2OXY8|Oxygenated ROC species with C* of 10-2 μg m-3 and O:C of 0.8|GP|194.2|L|3,4,5,6,7-Pentahydroxyheptan-2-one|[CC\\(=O\\)C\\(C\\(C\\(C\\(CO\\)O\\)O\\)O\\)O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID80956455)\nROCP0ALK|Alkane-like ROC species with C* of 1 μg m-3|GP|394.77|L|11-Methylheptacosane|[CCCCCCCCCCCCCCCCC\\(C\\)CCCCCCCCCC](https://comptox.epa.gov/dashboard/chemical/details/DTXSID40333900)\nROCP0OXY2|Oxygenated ROC species with C* of 1 μg m-3 and O:C of 0.2|GP|242.4|L|3-oxotetradecanoic acid|[CCCCCCCCCCCC\\(=O\\)CC\\(=O\\)O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID10332384)\nROCP0OXY4|Oxygenated ROC species with C* of 1 μg m-3 and O:C of 0.4|GP|202.3|L|DECANEDIOIC ACID|[C\\(CCCCC\\(=O\\)O\\)CCCC\\(=O\\)O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026867)\nROCP1ALK|Alkane-like ROC species with C* of 10 μg m-3|GP|380.75|L|Heptacosane|[CCCCCCCCCCCCCCCCCCCCCCCCCCC](https://comptox.epa.gov/dashboard/chemical/details/DTXSID6058637)\nROCP1ALKP|Peroxy radicals from ROCP1ALK oxidation|G|411.74|L|heptacosan-3-ylperoxy|CCCCCCCCCCCCCCCCCCCCCCCCC\\(CC\\)O\\[O\\]\nROCP1ALKP2|Hydroxy peroxy radicals from ROCP1ALK alkoxy product|G|427.73|L|(3-hydroxyheptacosan-6-yl)peroxy|CCCCCCCCCCCCCCCCCCCCCC\\(O\\[O\\]\\)CCC\\(O\\)CC\nROCP1OXY1|Oxygenated ROC species with C* of 10 μg m-3 and O:C of 0.1|GP|270.5|L|HEPTADECANOIC ACID|[CCCCCCCCCCCCCCCCC\\(=O\\)O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021596)\nROCP1OXY3|Oxygenated ROC species with C* of 10 μg m-3 and O:C of 0.3|GP|202.3|L|11-hydroxyundecanoic acid|[C\\(CCCCCO\\)CCCCC\\(=O\\)O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID40190136)\nROCP2ALK|Alkane-like ROC species with C* of 10+2 μg m-3|GP|338.66|L|Tetracosane|[CCCCCCCCCCCCCCCCCCCCCCCC](https://comptox.epa.gov/dashboard/chemical/details/DTXSID8060955)\nROCP2ALKP|Peroxy radicals from ROCP2ALK oxidation|G|369.65|L|tetracosan-3-ylperoxy|CCCCCCCCCCCCCCCCCCCCCC\\(CC\\)O\\[O\\]\nROCP2ALKP2|Hydroxy peroxy radicals from ROCP2ALK alkoxy product|G|385.65|L|(3-hydroxytetracosan-6-yl)peroxy|CCCCCCCCCCCCCCCCCCC\\(O\\[O\\]\\)CCC\\(O\\)CC\nROCP2OXY2|Oxygenated ROC species with C* of 10+2 μg m-3 and O:C of 0.2|GP|200.3|L|Dodecanoic Acid|[CCCCCCCCCCCC\\(=O\\)O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021590)\nROCP3ALK|Alkane-like ROC species with C* of 10+3 μg m-3|GP|296.58|L|Heneicosane|[CCCCCCCCCCCCCCCCCCCCC](https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047097)\nROCP3ALKP|Peroxy radicals from ROCP3ALK oxidation|G|327.57|L|henicosan-3-ylperoxy|CCCCCCCCCCCCCCCCCCC\\(CC\\)O\\[O\\]\nROCP3ALKP2|Hydroxy peroxy radicals from ROCP3ALK alkoxy product|G|343.57|L|(3-hydroxyhenicosan-6-yl)peroxy|CCCCCCCCCCCCCCCC\\(O\\[O\\]\\)CCC\\(O\\)CC\nROCP3OXY2|Oxygenated ROC species with C* of 10+3 μg m-3 and O:C of 0.2|GP|186.3|L|11-hydroxyundecanal|C\\(CCCCCO\\)CCCCC=O\nROCP4ALK|Alkane-like ROC species with C* of 10+4 μg m-3|G|254.5|L|Octadecane|[CCCCCCCCCCCCCCCCCC](https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047172)\nROCP4ALKP|Peroxy radicals from ROCP4ALK oxidation|G|285.49|L|octadecan-3-ylperoxy|CCCCCCCCCCCCCCCC\\(CC\\)O\\[O\\]\nROCP4ALKP2|Hydroxy peroxy radicals from ROCP4ALK alkoxy product|G|301.49|L|(3-hydroxyoctadecan-6-yl)peroxy|CCCCCCCCCCCCC\\(O\\[O\\]\\)CCC\\(O\\)CC\nROCP4OXY2|Oxygenated ROC species with C* of 10+4 μg m-3 and O:C of 0.2|G|158.2|L|2-Ethylheptanoic Acid|[CCCCCC\\(CC\\)C\\(=O\\)O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID40880929)\nROCP5ALK|Alkane-like ROC species with C* of 10+5 μg m-3|G|198.39|L|Tetradecane|[CCCCCCCCCCCCCC](https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027267)\nROCP5ALKP|Peroxy radicals from ROCP5ALK oxidation|G|229.38|L|tetradecan-3-ylperoxy|CCCCCCCCCCCC\\(CC\\)O\\[O\\]\nROCP5ALKP2|Hydroxy peroxy radicals from ROCP5ALK alkoxy product|G|245.38|L|(3-hydroxytetradecan-6-yl)peroxy|CCCCCCCCC\\(O\\[O\\]\\)CCC\\(O\\)CC\nROCP5ARO|Aromatic ROC species with C* of 10+5 μg m-3|G|190.33|L|Benzene, octyl-|[CCCCCCCCC1=CC=CC=C1](https://comptox.epa.gov/dashboard/chemical/details/DTXSID2062240)\nROCP5AROP|Peroxy radicals from ROCP5ARO oxidation|G|271.33|L|{8-hydroxy-5-octyl-6,7-dioxabicyclo[3.2.1]oct-3-en-2-yl}peroxy|CCCCCCCCC1\\(OO2\\)C=CC\\(O\\[O\\]\\)C2C1O\nROCP5OXY1|Oxygenated ROC species with C* of 10+5 μg m-3 and O:C of 0.1|G|170.3|L|Undecanal|[CCCCCCCCCCC=O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021688)\nROCP6ALK|Alkane-like ROC species with C* of 10+6 μg m-3|G|184.37|L|Tridecane|[CCCCCCCCCCCCC](https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027266)\nROCP6ALKP|Peroxy radicals from ROCP6ALK oxidation|G|215.36|L|tridecan-3-ylperoxy|CCCCCCCCCCC\\(CC\\)O\\[O\\]\nROCP6ALKP2|Hydroxy peroxy radicals from ROCP6ALK alkoxy product|G|231.36|L|(3-hydroxytridecan-6-yl)peroxy|CCCCCCCC\\(O\\[O\\]\\)CCC\\(O\\)CC\nROCP6ARO|Aromatic ROC species with C* of 10+6 μg m-3|G|176.3|L|1-Hexyl-4-methylbenzene|[CCCCCCC1=CC=C\\(C\\)C=C1](https://comptox.epa.gov/dashboard/chemical/details/DTXSID30333914)\nROCP6AROP|Peroxy radicals from ROCP6ARO oxidation|G|257.3|L|{2-hexyl-8-hydroxy-5-methyl-6,7-dioxabicyclo[3.2.1]oct-3-en-2-yl}peroxy|OC1C2C\\(CCCCCC\\)\\(O\\[O\\]\\)C=CC1\\(C\\)OO2\nROCP6OXY1|Oxygenated ROC species with C* of 10+6 μg m-3 and O:C of 0.1|G|142.2|L|Nonanal|[CCCCCCCCC=O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021639)\nROH|C3 and higher alcohols |G|60.0|L|Propanol|[CCCO](https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021739)\nSESQ|Sesquiterpenes |G|204.4|L|b-caryophyllene|[C/C1=C/CCC\\(=C\\)C2CC\\(C\\)\\(C\\)C2CC\\1](https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024739)\nSESQNRO2|Peroxy radicals from SESQ reaction with nitrate radicals|G|298.4|L|[4,11,11-trimethyl-8-methylidene-5-(nitrooxy)bicyclo[7.2.0]undecan-4-yl]peroxy|\\[O\\]OC1\\(C\\)CCC2C\\(CC2\\(C\\)C\\)C\\(=C\\)CCC1O\\[N+\\]\\(=O\\)\\[O-\\]\nSESQRO2|Peroxy radicals from SESQ reaction with OH|G|253.4|L|{5-hydroxy-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undecan-4-yl}peroxy|\\[O\\]OC1\\(C\\)CCC2C\\(CC2\\(C\\)C\\)C\\(=C\\)CCC1O\nSLOWROC|Slowly reacting ROC with kOH< 3.5x10-13 cm3 s-1 |G|75.4|L|Hydrogen cyanide|[C#N](https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024148)\nSO2|Sulfur dioxide|G|64.0|E|Sulfur dioxide|[O=S=O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID6029672)\nSRF|Surface area of particles|P|1.0|L|Surface area of particles|\nSTY|Styrene|G|104.0|E|Styrene|[C=CC1=CC=CC=C1](https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021284)\nSTYP|Peroxy radicals from STY|G|153.0|E|(2-hydroxy-2-phenylethyl)peroxy|\\[O\\]OCC\\(O\\)C1=CC=CC=C1\nSULF|Sulfuric acid|G|98.0|E|Sulfuric acid|[OS\\(=O\\)\\(=O\\)O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID5029683)\nSULRXN|Precursor of Aerosol Sulfate (tracking species) |G|98.0||NA|\nTOL|Toluene |G|92.14|E|Toluene|[CC1=CC=CC=C1](https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021360)\nTOLP|Peroxy radicals formed from TOL|G|173.14|L|{8-hydroxy-5-methyl-6,7-dioxabicyclo[3.2.1]oct-3-en-2-yl}peroxy|\\[O\\]OC1C=CC2\\(C\\)OOC1C2O\nTRPN|First generation monoterpene nitrates|GP|215.0|L|3-hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-2-yl nitrate|O=N\\(=O\\)OC1\\(C\\)C\\(O\\)CC2CC1C2\\(C\\)C\nUALD|Unsaturated aldehydes|G|84.1|L|2-Methylbut-2-enal|[CC=C\\(C\\)C=O](https://comptox.epa.gov/dashboard/chemical/details/DTXSID00859414)\nUALP|Peroxy radicals formed from UALD |G|133.0|L|(3-hydroxy-3-methyl-4-oxobutan-2-yl)peroxy|CC\\(O\\[O\\]\\)C\\(C\\)\\(O\\)C=O\nXO2|Accounts for addition NO to NO2 conversions (tracking species)|G|1.0||NA|\nXYL|Xylenes and other volatile aromatics |G|106.2|L|m-Xylene|[CC1=CC\\(C\\)=CC=C1](https://comptox.epa.gov/dashboard/chemical/details/DTXSID6026298)\nXYLP|Peroxy radicals formed from XYL|G|187.17|L|{8-hydroxy-1,5-dimethyl-6,7-dioxabicyclo[3.2.1]oct-3-en-2-yl}peroxy|\\[O\\]OC1C=CC2\\(C\\)OOC1\\(C\\)C2O\n\n" }, { "path": "CCTM/src/MECHS/mechanism_information/cracmm2/mech_cracmm2.md", "content": "Information is based on the mech.def file.\n* Fall-off or pressure dependent reaction rate constants (M equals air number density):\n * For rate constants with ko, ki, n, F values: k = [ koM/(1+koM/ki)]FG, where G=(1+(log10(koM/ki)/n)2))-1 \n * For rate constants with k1, k2: k = k1 + k2M\n * For rate constants with k0, k2, k3: k = k0 + k3M/(1+k3M/k2)\n * For rate constants with k1, k2, k3: k = k1 + k2M + k3 \n\n* For rate constants with the form A<_Reference_>, k equals A times a reference that represents photolysis rate, a heteorogeneous rate constant, rate constant for the given reaction or an operator. A equals one if not given.\n\n* In the mechanism definition file, the rate is formatted as\n * A~<_HETEROGENEOUS_>\n * A*K<_REACTION_>\n * A/<_PHOTOLYSIS_>\n * A?<_OPERATOR_>\n\n|Label|Reaction |Rate Constant Formula| Value
molecules/(sec*cm3)| \n|:---|:-------------------|:--------------------|:----:| \n| R001 | O3 ----> O3P | O3O3P_NASA06 | Not Available1 | \n| R002 | O3 ----> O1D | O3O1D_NASA06 | Not Available1 | \n| R003 | H2O2 ----> 2.0000\\*HO | H2O2_RACM2 | Not Available1 | \n| R004 | NO2 ----> O3P + NO | NO2_RACM2 | Not Available1 | \n| R005 | NO3 ----> NO | NO3NO_RACM2 | Not Available1 | \n| R006 | NO3 ----> O3P + NO2 | NO3NO2_RACM2 | Not Available1 | \n| R007 | HONO ----> HO + NO | HONO_RACM2 | Not Available1 | \n| R008 | HNO3 ----> HO + NO2 | HNO3_RACM2 | Not Available1 | \n| R009 | HNO4 ----> 0.2000\\*HO + 0.8000\\*HO2 + 0.8000\\*NO2 + 0.2000\\*NO3 | HNO4_RACM2 | Not Available1 | \n| R010 | HCHO ----> CO | HCHO_MOL_JPL19 | Not Available1 | \n| R011 | HCHO ----> 2.0000\\*HO2 + CO | HCHO_RAD_JPL19 | Not Available1 | \n| R012 | ACD ----> HO2 + MO2 + CO | CH3CHO_RACM2 | Not Available1 | \n| R013 | ALD ----> HO2 + ETHP + CO | ALD_JPL19 | Not Available1 | \n| R014 | ACT ----> MO2 + ACO3 | CH3COCH3A_JPL19 | Not Available1 | \n| R014a | ACT ----> 2.0000\\*MO2 + CO | CH3COCH3B_JPL19 | Not Available1 | \n| R015 | UALD ----> 1.2200\\*HO2 + 0.7840\\*ACO3 + 1.2200\\*CO + 0.3500\\*HCHO + 0.4340\\*ALD + 0.2160\\*KET | UALD_RACM2 | Not Available1 | \n| TRP01 | PINAL ----> HO2 + HC10P + CO | ALD_JPL19 | Not Available1 | \n| TRP02 | LIMAL ----> HO2 + HC10P + CO | ALD_JPL19 | Not Available1 | \n| R016 | MEK ----> 0.1000\\*MO2 + ETHP + 0.9000\\*ACO3 + 0.1000\\*CO | MEK_JGR19 | Not Available1 | \n| R017 | KET ----> 1.5000\\*ETHP + 0.5000\\*ACO3 + 0.5000\\*CO | KET_JGR19 | Not Available1 | \n| R018 | HKET ----> HO2 + ACO3 + HCHO | HKET_RACM2 | Not Available1 | \n| R019 | MACR ----> 0.3400\\*HO + 0.6600\\*HO2 + 0.6700\\*ACO3 + 0.3300\\*MACP + 0.3400\\*XO2 + 0.6700\\*CO + 0.6700\\*HCHO | MACR_RACM2 | Not Available1 | \n| R020 | MVK ----> 0.3000\\*MO2 + 0.3000\\*MACP + 0.7000\\*CO + 0.7000\\*UALD | MVK_RACM2 | Not Available1 | \n| R021 | GLY ----> 2.0000\\*CO | GLYH2_RACM2 | Not Available1 | \n| R022 | GLY ----> HCHO + CO | GLYF_RACM2 | Not Available1 | \n| R023 | GLY ----> 2.0000\\*HO2 + 2.0000\\*CO | GLYHX_RACM2 | Not Available1 | \n| R024 | MGLY ----> HO2 + ACO3 + CO | MGLY_RACM2 | Not Available1 | \n| R025 | DCB1 ----> 1.5000\\*HO2 + 0.2500\\*ACO3 + 0.2000\\*XO2 + CO + 0.5000\\*GLY + 0.5000\\*MGLY | MGLY_RACM2 | Not Available1 | \n| R026 | DCB2 ----> 1.5000\\*HO2 + 0.2500\\*ACO3 + 0.2000\\*XO2 + CO + 0.5000\\*GLY + 0.5000\\*MGLY | MGLY_RACM2 | Not Available1 | \n| R027 | BALD ----> CHO + HO2 + CO | BALD_RACM2 | Not Available1 | \n| R028 | OP1 ----> HO + HO2 + HCHO | OP1_RACM2 | Not Available1 | \n| R029 | OP2 ----> HO + HO2 + ALD | OP1_RACM2 | Not Available1 | \n| TRP03 | OPB ----> HO + HO2 + ALD | OP1_RACM2 | Not Available1 | \n| R029a | OP3 ----> HO + HO2 + ALD | OP1_RACM2 | Not Available1 | \n| R030 | PAA ----> HO + MO2 | PAA_RACM2 | Not Available1 | \n| R031 | ONIT ----> HO2 + NO2 + 0.2000\\*ALD + 0.8000\\*KET | ONIT_RACM2 | Not Available1 | \n| R032 | PAN ----> ACO3 + NO2 | PAN1_RACM2 | Not Available1 | \n| R033 | PAN ----> MO2 + NO3 | PAN2_RACM2 | Not Available1 | \n| TRP55 | TRPN ----> NO2 + 0.6700\\*KET + 0.3300\\*UALD | ONIT_RACM2 | Not Available1 | \n| TRP56 | HONIT ----> HKET + NO2 | ONIT_RACM2 | Not Available1 | \n| R034 | O3 + HO ----> HO2 | 1.70E-12e -940.00/T | 7.2647E-14 |\n| R035 | O3 + HO2 ----> HO | 1.00E-14e -490.00/T | 1.9331E-15 |\n| R036 | O3 + NO ----> NO2 | 3.00E-12e -1500.00/T | 1.9596E-14 |\n| R037 | O3 + NO2 ----> NO3 | 1.20E-13e -2450.00/T | 3.2392E-17 |\n| R038 | O3P + O2 + M ----> O3 | 6.10E-34(T/300) -2.40 | 6.1912E-34 |\n| R039 | O3P + O3 ----> | 8.00E-12e -2060.00/T | 7.9879E-15 |\n| R040 | O1D + O2 ----> O3P | 3.30E-11e 55.00/T | 3.9685E-11 |\n| R041 | O1D + N2 ----> O3P | 2.15E-11e 110.00/T | 3.1093E-11 |\n| R042 | O1D + H2O ----> 2.0000\\*HO | 1.63E-10e 60.00/T | 1.9934E-10 |\n| R043 | HO + H2 ----> HO2 | 2.80E-12e -1800.00/T | 6.6869E-15 |\n| R044 | HO + HO2 ----> | 4.80E-11e 250.00/T | 1.1102E-10 |\n| R045 | HO2 + HO2 ----> H2O2 | k0= 3.00E-13e 460.0/T
k1= 2.10E-33e 920.0/T | 2.5345E-12 |\n| R046 | HO2 + HO2 + H2O ----> H2O2 | k0= 4.20E-34e 2660.0/T
k1= 2.94E-54e 3120.0/T | 5.6834E-30 |\n| R047 | H2O2 + HO ----> HO2 | 1.80E-12e 0.00/T | 1.8000E-12 |\n| R048 | NO + O3P ----> NO2 | ko= 9.10E-32e 0.0/T(T/300) -1.50
ki = 3.00E-11e 0.0/T(T/300) 0.00
n= 1.00;F= 0.60 | 1.6772E-12 |\n| R049 | NO + HO ----> HONO | ko= 7.10E-31e 0.0/T(T/300) -2.60
ki = 3.60E-11e 0.0/T(T/300) -0.10
n= 1.00;F= 0.60 | 7.4585E-12 |\n| R050 | NO + HO2 ----> NO2 + HO | 3.44E-12e 260.00/T | 8.2278E-12 |\n| R051 | NO + HO2 ----> HNO3 | k0= 6.0950E-14e 270.0/T(T/300) -1.00
k2= 6.8570E-34e 270.0/T(T/300) 1.00
k3= -5.9680E-14e 270.00/T | 4.5566E-14 |\n| R052 | NO + NO + O2 ----> 2.0000\\*NO2 | 4.25E-39e 663.50/T | 3.9343E-38 |\n| R053 | HONO + HO ----> NO2 | 3.00E-12e 250.00/T | 6.9387E-12 |\n| R054 | NO2 + O3P ----> NO | 5.30E-12e 200.00/T | 1.0366E-11 |\n| R055 | NO2 + O3P ----> NO3 | ko= 3.40E-31e 0.0/T(T/300) -1.60
ki = 2.30E-11e 0.0/T(T/300) -0.20
n= 1.00;F= 0.60 | 4.0243E-12 |\n| R056 | NO2 + HO ----> HNO3 | ko= 1.80E-30e 0.0/T(T/300) -3.00
ki = 2.80E-11e 0.0/T(T/300) 0.00
n= 1.00;F= 0.60 | 1.0589E-11 |\n| R057 | HNO3 + HO ----> NO3 | k0= 2.40E-14e 460.0/T
k1= 2.70E-17e 2199.0/T
k3= 6.50E-34e 1335.0/T | 1.5409E-13 |\n| R058 | NO3 + HO ----> HO2 + NO2 | 2.0000E-11 | 2.0000E-11 |\n| R059 | NO3 + HO2 ----> 0.7000\\*HO + 0.7000\\*NO2 + 0.3000\\*HNO3 | 3.5000E-12 | 3.5000E-12 |\n| R060 | NO3 + NO ----> 2.0000\\*NO2 | 1.70E-11e 125.00/T | 2.5854E-11 |\n| R061 | NO3 + NO2 ----> NO + NO2 | 4.35E-14e -1335.00/T | 4.9418E-16 |\n| R062 | NO3 + NO3 ----> 2.0000\\*NO2 | 8.50E-13e -2450.00/T | 2.2944E-16 |\n| R063 | NO3 + NO2 ----> N2O5 | ko= 2.40E-30e 0.0/T(T/300) -3.00
ki = 1.60E-12e 0.0/T(T/300) 0.10
n= 1.00;F= 0.60 | 1.3451E-12 |\n| R064 | N2O5 ----> NO2 + NO3 | 1.72E+26e-10840.00/T \\*R063 | 3.7623E-028| \n| R065 | N2O5 + H2O ----> 2.0000\\*HNO3 | 1.0000E-22 | 1.0000E-22 |\n| R066 | NO2 + HO2 ----> HNO4 | ko= 1.90E-31e 0.0/T(T/300) -3.40
ki = 4.00E-12e 0.0/T(T/300) -0.30
n= 1.00;F= 0.60 | 1.3113E-12 |\n| R067 | HNO4 ----> HO2 + NO2 | 4.76E+26e-10900.00/T \\*R066 | 8.2835E-028| \n| R068 | HNO4 + HO ----> NO2 | 4.50E-13e 610.00/T | 3.4814E-12 |\n| R069 | SO2 + HO ----> HO2 + SULF + SULRXN | ko= 2.90E-31e 0.0/T(T/300) -4.10
ki = 1.70E-12e 0.0/T(T/300) 0.20
n= 1.00;F= 0.60 | 9.5762E-13 |\n| R070 | CO + HO ----> HO2 | k0= 1.44E-13e 0.0/T
k1= 2.74E-33e 0.0/T | 2.1145E-13 |\n| R071 | HO + CH4 ----> MO2 | 2.45E-12e -1775.00/T | 6.3628E-15 |\n| R072 | ETH + HO ----> ETHP | 7.66E-12e -1020.00/T | 2.5030E-13 |\n| R073 | HC3 + HO ----> HC3P + 0.0000\\*ASOATJ | 7.68E-12e -370.00/T | 2.2203E-12 |\n| R074 | HC5 + HO ----> HC5P + 0.0013\\*ASOATJ | 1.01E-11e -245.00/T | 4.4407E-12 |\n| R076 | ETE + HO ----> ETEP | ko= 1.00E-28e 0.0/T(T/300) -4.50
ki = 8.80E-12e 0.0/T(T/300) -0.85
n= 1.00;F= 0.60 | 8.1981E-12 |\n| R077 | OLT + HO ----> OLTP | 5.72E-12e 500.00/T | 3.0599E-11 |\n| R078 | OLI + HO ----> OLIP | 1.33E-11e 500.00/T | 7.1149E-11 |\n| R080 | ACE + HO ----> 0.6500\\*HO + 0.3500\\*HO2 + 0.3500\\*CO + 0.6500\\*GLY + 0.3500\\*ORA1 | ko= 5.50E-30e 0.0/T(T/300) 0.00
ki = 8.30E-13e 0.0/T(T/300) 2.00
n= 1.00;F= 0.60 | 7.4748E-13 |\n| ROCARO31 | BEN + HO ----> 0.4700\\*BENP + 0.5300\\*PHEN + 0.5300\\*HO2 | 2.33E-12e -193.00/T | 1.2196E-12 |\n| ROCARO41 | TOL + HO ----> 0.8200\\*TOLP + 0.1800\\*CSL + 0.1800\\*HO2 | 1.81E-12e 354.00/T | 5.9337E-12 |\n| ROCARO51 | XYL + HO ----> 0.8300\\*XYLP + 0.1700\\*CSL + 0.1700\\*HO2 | 2.3300E-11 | 2.3300E-11 |\n| ROCARO61 | EBZ + HO ----> 0.8200\\*EBZP + 0.1800\\*CSL + 0.1800\\*HO2 | 7.1600E-12 | 7.1600E-12 |\n| RAM01 | ISO + O3 ----> 0.2500\\*HO + 0.2500\\*HO2 + 0.4000\\*MO2 + 0.0180\\*ACO3 + 0.1000\\*MACP + 0.0900\\*H2O2 + 0.2200\\*CO + HCHO + 0.3000\\*MACR + 0.1400\\*MVK + 0.2800\\*ORA1 + 0.1530\\*OLT | 1.58E-14e -2000.00/T | 1.9293E-17 |\n| RAM02 | ISO + NO3 ----> 0.4000\\*NO2 + 0.0450\\*ISON + 0.3500\\*HCHO + 0.5550\\*INO2 + 0.2600\\*MVK + 0.0280\\*MACR | 2.95E-12e -450.00/T | 6.5214E-13 |\n| RAM03 | ISO + HO ----> ISOP + 0.2500\\*HCHO + 0.0300\\*MACR + 0.0500\\*MGLY | 2.69E-11e 390.00/T | 9.9503E-11 |\n| RAM04 | ISOP + HO2 ----> ISHP + 0.0700\\*HO2 + 0.5000\\*HO | 4.50E-13e 1300.00/T | 3.5224E-11 |\n| RAM05 | ISOP + NO ----> 0.1300\\*ISON + 0.4000\\*HCHO + 0.8800\\*HO2 + 0.8700\\*NO2 + 0.1800\\*MACR + 0.5100\\*MVK | 6.00E-12e 350.00/T | 1.9408E-11 |\n| RAM06 | ISHP + HO ----> ISOP | 4.60E-12e 200.00/T | 8.9967E-12 |\n| RAM07 | ISHP + HO ----> 0.0400\\*MGLY + 0.0200\\*GLY + 0.1300\\*MVK + 0.4400\\*IEPOX + 0.1100\\*ACO3 + 0.0300\\*MACR + 2.0000\\*HO + 0.3400\\*HO2 + 0.1400\\*IPX + CO | 2.97E-11e 390.00/T | 1.0986E-10 |\n| RAM08 | INO2 + HO2 ----> 0.4500\\*HO + 0.9500\\*INALD + 0.0200\\*IPX | 3.14E-11e 580.00/T | 2.1967E-10 |\n| RAM09 | INO2 + NO ----> 0.1500\\*MVK + 0.6500\\*INALD + 0.0500\\*ISON + 0.2000\\*HCHO + 1.3000\\*NO2 | 9.42E-12e 580.00/T | 6.5902E-11 |\n| RAM10 | ISON + HO ----> HO + 0.3500\\*INALD + 0.1700\\*IEPOX + 0.6500\\*NO2 | 2.40E-11e 390.00/T | 8.8776E-11 |\n| RAM11 | HO + INALD ----> CO + NO2 + 0.3000\\*HO2 + HCHO | 1.5000E-11 | 1.5000E-11 |\n| RAM12 | ISON ----> HNO3 + ROH | 4.0000E-05 | 4.0000E-05 |\n| RAM13 | IPX + HO ----> 0.5700\\*MACR + 0.4300\\*MVK | 3.0000E-12 | 3.0000E-12 |\n| R087 | API + HO ----> 0.9750\\*APIP1 + 0.0250\\*APIP2 | 1.21E-11e 440.00/T | 5.2930E-11 |\n| R088 | LIM + HO ----> 0.9450\\*LIMP1 + 0.0550\\*LIMP2 | 4.20E-11e 401.00/T | 1.6120E-10 |\n| TRP04 | PINAL + HO ----> 0.2300\\*PINALP + 0.7700\\*RCO3 | 5.20E-12e 600.00/T | 3.8903E-11 |\n| TRP05 | LIMAL + HO ----> 0.8300\\*LIMALP + 0.1700\\*RCO3 | 1.1000E-10 | 1.1000E-10 |\n| R089 | HCHO + HO ----> HO2 + CO | 5.50E-12e 125.00/T | 8.3645E-12 |\n| R090 | ACD + HO ----> ACO3 | 4.70E-12e 345.00/T | 1.4950E-11 |\n| R091 | ALD + HO ----> RCO3 | 4.90E-12e 405.00/T | 1.9060E-11 |\n| R092 | ACT + HO ----> ACTP | 4.56E-14e -427.00/T(T/300) 3.65 | 1.0646E-14 |\n| R093 | MEK + HO ----> MEKP | 1.50E-12e -90.00/T | 1.1092E-12 |\n| R094 | KET + HO ----> KETP | 2.80E-12e 10.00/T | 2.8955E-12 |\n| R095 | HKET + HO ----> HO2 + MGLY | 3.0000E-12 | 3.0000E-12 |\n| R096 | MACR + HO ----> 0.5700\\*MACP + 0.4300\\*MCP | 8.00E-12e 380.00/T | 2.8616E-11 |\n| R097 | MVK + HO ----> MVKP | 2.60E-12e 610.00/T | 2.0115E-11 |\n| R098 | UALD + HO ----> 0.3130\\*ACO3 + 0.6870\\*UALP | 5.77E-12e 533.00/T | 3.4479E-11 |\n| R099 | GLY + HO ----> HO2 + 2.0000\\*CO | 1.1000E-11 | 1.1000E-11 |\n| R100 | MGLY + HO ----> ACO3 + CO | 9.26E-13e 830.00/T | 1.4984E-11 |\n| R101 | DCB1 + HO ----> 0.5200\\*HO2 + 0.3300\\*CO + 0.4000\\*ALD + 0.7800\\*KET + 0.1000\\*GLY + 0.0100\\*MGLY | 2.80E-11e 175.00/T | 5.0358E-11 |\n| R102 | DCB2 + HO ----> 0.5200\\*HO2 + 0.3300\\*CO + 0.1300\\*MEK + 0.1000\\*GLY + 0.0100\\*MGLY + 0.7800\\*OP2 | 2.80E-11e 175.00/T | 5.0358E-11 |\n| R103 | DCB3 + HO ----> 0.5600\\*HO2 + 0.2100\\*MACP + 0.1100\\*CO + 0.2700\\*GLY + 0.0100\\*MGLY + 0.7900\\*OP2 | 1.0000E-11 | 1.0000E-11 |\n| R104 | BALD + HO ----> BALP | 5.32E-12e 243.00/T | 1.2019E-11 |\n| R105 | PHEN + HO ----> 0.1520\\*ASOATJ + 0.6190\\*HO2 + 0.1700\\*ADDC + 0.0590\\*CHO + 0.6190\\*MCT | 6.75E-12e 405.00/T | 2.6257E-11 |\n| R106 | CSL + HO ----> 0.2000\\*ASOATJ + 0.5840\\*HO2 + 0.1600\\*ADDC + 0.0560\\*CHO + 0.5840\\*MCT | 4.65E-11e 0.00/T | 4.6500E-11 |\n| R108 | MCT + HO ----> MCTO | 2.05E-10e 0.00/T | 2.0500E-10 |\n| R109 | MOH + HO ----> HO2 + HCHO | 2.85E-12e -345.00/T | 8.9600E-13 |\n| R110 | EOH + HO ----> HO2 + ACD | 3.00E-12e 20.00/T | 3.2081E-12 |\n| R111 | ROH + HO ----> HO2 + 0.7190\\*ALD + 0.1840\\*ACD | 2.60E-12e 200.00/T | 5.0851E-12 |\n| R112 | ETEG + HO ----> HO2 + ALD | 1.4700E-11 | 1.4700E-11 |\n| R113 | OP1 + HO ----> 0.3500\\*HO + 0.6500\\*MO2 + 0.3500\\*HCHO | 2.90E-12e 190.00/T | 5.4848E-12 |\n| R114 | OP2 + HO ----> 0.0100\\*HO + 0.4400\\*HC3P + 0.0700\\*XO2 + 0.0800\\*ALD + 0.4100\\*KET | 3.40E-12e 190.00/T | 6.4304E-12 |\n| TRP06 | OPB + HO ----> 0.0100\\*HO + 0.4400\\*HC10P + 0.0700\\*XO2 + 0.0800\\*ALD + 0.4100\\*KET | 3.40E-12e 190.00/T | 6.4304E-12 |\n| R114a | OP3 + HO ----> 0.0100\\*HO + 0.4400\\*HC10P + 0.0700\\*XO2 + 0.0800\\*ALD + 0.4100\\*KET | 3.40E-12e 190.00/T | 6.4304E-12 |\n| R116 | MAHP + HO ----> MACP | 3.0000E-11 | 3.0000E-11 |\n| R117 | ORA1 + HO ----> HO2 | 4.5000E-13 | 4.5000E-13 |\n| R118 | ORA2 + HO ----> 0.6400\\*MO2 + 0.3600\\*ORAP | 4.00E-14e 850.00/T | 6.9214E-13 |\n| R119 | PAA + HO ----> 0.3500\\*HO + 0.6500\\*ACO3 + 0.3500\\*XO2 + 0.3500\\*HCHO | 2.93E-12e 190.00/T | 5.5415E-12 |\n| R120 | PAN + HO ----> XO2 + NO3 + HCHO | 4.0000E-14 | 4.0000E-14 |\n| R121 | PPN + HO ----> XO2 + NO3 + HCHO | 4.0000E-14 | 4.0000E-14 |\n| R122 | MPAN + HO ----> NO2 + HKET | 3.2000E-11 | 3.2000E-11 |\n| R123 | ONIT + HO ----> HC3P + NO2 | 5.31E-12e -260.00/T | 2.2201E-12 |\n| TRP07 | TRPN + HO ----> 0.3300\\*HONIT + 0.6700\\*NO2 + 0.2700\\*PINAL + 0.3800\\*KET + 0.2100\\*HCHO + 0.0200\\*ALD | 4.8000E-12 | 4.8000E-12 |\n| TRP57 | HONIT + HO ----> HKET + NO3 | k0= 2.40E-14e 460.0/T
k1= 2.70E-17e 2199.0/T
k3= 6.50E-34e 1335.0/T | 1.5409E-13 |\n| R126 | ETE + O3 ----> 0.0800\\*HO + 0.1500\\*HO2 + 0.4300\\*CO + HCHO + 0.3700\\*ORA1 | 9.14E-15e -2580.00/T | 1.5953E-18 |\n| R127 | OLT + O3 ----> 0.2200\\*HO + 0.3200\\*HO2 + 0.0800\\*MO2 + 0.0600\\*ETHP + 0.0400\\*HC3P + 0.0200\\*HC5P + 0.0680\\*H2O2 + 0.4300\\*CO + 0.0200\\*ETH + 0.0150\\*HC3 + 0.0060\\*HC5 + 0.0320\\*BEN + 0.5600\\*HCHO + 0.0100\\*ACD + 0.4400\\*ALD + 0.0300\\*ACT + 0.0200\\*BALD + 0.0600\\*MEK + 0.0100\\*HKET + 0.0300\\*ORA1 + 0.0600\\*ORA2 | 4.33E-15e -1800.00/T | 1.0341E-17 |\n| R128 | OLI + O3 ----> 0.4600\\*HO + 0.0700\\*HO2 + 0.3200\\*MO2 + 0.0700\\*ETHP + 0.0400\\*HC3P + 0.0900\\*ACO3 + 0.3700\\*CO + 0.0260\\*H2O2 + 0.0100\\*ETH + 0.0100\\*HC3 + 0.0900\\*HCHO + 0.4570\\*ACD + 0.7300\\*ALD + 0.1100\\*ACT + 0.0170\\*KET + 0.0440\\*HKET + 0.0170\\*ORA2 | 4.40E-15e -845.00/T | 2.5858E-16 |\n| R131 | API + O3 ----> 0.6055\\*HO + 0.2145\\*PINALP + 0.2550\\*H2O2 + 0.2535\\*PINAL + 0.0065\\*ORA2 + 0.1105\\*HO2 + 0.1105\\*CO + 0.4590\\*HCHO + 0.2805\\*RCO3 + 0.1785\\*KET + 0.0665\\*HC3 + 0.0385\\*OP1 + 0.0280\\*ORA1 | 8.05E-16e -640.00/T | 9.4092E-17 |\n| R132 | LIM + O3 ----> 0.6600\\*HO + 0.6600\\*LIMAL + 0.3300\\*ACO3 + 0.3300\\*HCHO + 0.3300\\*RCO3 + 0.3300\\*H2O2 + 0.0100\\*ORA2 | 2.80E-15e -770.00/T | 2.1162E-16 |\n| TRP08 | LIMAL + O3 ----> 0.0900\\*HO + ALD + 0.6200\\*HCHO + 0.2300\\*OP1 + 0.0200\\*H2O2 + 0.1500\\*ORA1 | 8.3000E-18 | 8.3000E-18 |\n| TRP09 | TRPN + O3 ----> 0.3300\\*HONIT + 0.6700\\*NO2 + 0.2700\\*PINAL + 0.3800\\*KET + 0.2100\\*HCHO + 0.0200\\*ALD | 1.6700E-16 | 1.6700E-16 |\n| R133 | MACR + O3 ----> 0.1900\\*HO + 0.1400\\*HO2 + 0.1000\\*ACO3 + 0.2200\\*CO + 0.5000\\*MGLY + 0.4500\\*ORA1 | 1.36E-15e -2112.00/T | 1.1406E-18 |\n| R134 | MVK + O3 ----> 0.1600\\*HO + 0.1100\\*HO2 + 0.2800\\*ACO3 + 0.0100\\*XO2 + 0.5600\\*CO + 0.1000\\*HCHO + 0.5400\\*MGLY + 0.0700\\*ORA1 + 0.0700\\*ORA2 + 0.1000\\*ALD | 8.50E-16e -1520.00/T | 5.1921E-18 |\n| R135 | UALD + O3 ----> 0.1000\\*HO + 0.0720\\*HO2 + 0.0080\\*MO2 + 0.0020\\*ACO3 + 0.1000\\*XO2 + 0.2430\\*CO + 0.0800\\*HCHO + 0.4200\\*ACD + 0.0280\\*KET + 0.4910\\*GLY + 0.0030\\*MGLY + 0.0440\\*ORA1 | 1.6600E-18 | 1.6600E-18 |\n| R136 | DCB1 + O3 ----> 0.0500\\*HO + HO2 + 0.6000\\*RCO3 + 0.6000\\*XO2 + 1.5000\\*CO + 0.0500\\*HCHO + 0.0500\\*GLY + 0.0800\\*MGLY + 0.6500\\*OP2 | 2.0000E-16 | 2.0000E-16 |\n| R137 | DCB2 + O3 ----> 0.0500\\*HO + HO2 + 0.6000\\*RCO3 + 0.6000\\*XO2 + 1.5000\\*CO + 0.0500\\*HCHO + 0.0500\\*GLY + 0.0800\\*MGLY + 0.7000\\*DCB1 + 0.6500\\*OP2 | 2.0000E-16 | 2.0000E-16 |\n| R138 | DCB3 + O3 ----> 0.0500\\*HO + HO2 + 1.5000\\*CO + 0.4800\\*GLY + 0.7000\\*DCB1 + 0.2500\\*ORA1 + 0.2500\\*ORA2 + 0.1100\\*PAA | 9.0000E-17 | 9.0000E-17 |\n| R140 | MCTO + O3 ----> MCTP | 2.8600E-13 | 2.8600E-13 |\n| R141 | ETE + NO3 ----> 0.8000\\*OLNN + 0.2000\\*OLND | 4.39E-13e -2282.00/T(T/300) 2.00 | 2.0571E-16 |\n| R142 | OLT + NO3 ----> 0.4300\\*OLNN + 0.5700\\*OLND | 1.79E-13e -450.00/T | 3.9570E-14 |\n| R143 | OLI + NO3 ----> 0.1100\\*OLNN + 0.8900\\*OLND | 8.64E-13e 450.00/T | 3.9084E-12 |\n| R146 | API + NO3 ----> 0.9750\\*APINP1 + 0.0250\\*APINP2 | 1.19E-12e 490.00/T | 6.1560E-12 |\n| R147 | LIM + NO3 ----> 0.9450\\*LIMNP1 + 0.0550\\*LIMNP2 | 1.2200E-11 | 1.2200E-11 |\n| TRP10 | TRPN + NO3 ----> 0.3300\\*HONIT + 0.6700\\*NO2 + 0.2700\\*PINAL + 0.3800\\*KET + 0.2100\\*HCHO + 0.0200\\*ALD | 3.15E-13e -448.00/T | 7.0104E-14 |\n| R148 | HCHO + NO3 ----> HO2 + CO + HNO3 | 2.00E-12e -2440.00/T | 5.5828E-16 |\n| R149 | ACD + NO3 ----> ACO3 + HNO3 | 1.40E-12e -1900.00/T | 2.3907E-15 |\n| R150 | ALD + NO3 ----> RCO3 + HNO3 | 3.76E-12e -1900.00/T | 6.4208E-15 |\n| R151 | MACR + NO3 ----> 0.6800\\*HCHO + 0.3200\\*MACP + 0.6800\\*XO2 + 0.6800\\*MGLY + 0.3200\\*HNO3 + 0.6800\\*NO2 | 3.4000E-15 | 3.4000E-15 |\n| R152 | UALD + NO3 ----> HO2 + XO2 + 0.6680\\*CO + 0.3320\\*HCHO + 0.3320\\*ALD + ONIT | 5.02E-13e -1076.00/T | 1.3595E-14 |\n| R153 | GLY + NO3 ----> HO2 + 2.0000\\*CO + HNO3 | 2.90E-12e -1900.00/T | 4.9522E-15 |\n| R154 | MGLY + NO3 ----> ACO3 + CO + HNO3 | 3.76E-12e -1900.00/T | 6.4208E-15 |\n| R155 | PHEN + NO3 ----> 0.1520\\*ASOATJ + 0.3390\\*CHO + 0.8500\\*ADDC + 0.4240\\*ADCN + 0.4240\\*HNO3 | 3.7800E-12 | 3.7800E-12 |\n| R156 | CSL + NO3 ----> 0.2000\\*ASOATJ + 0.3200\\*CHO + 0.0800\\*ADDC + 0.4000\\*ADCN + 0.4000\\*HNO3 | 1.0600E-12 | 1.0600E-12 |\n| R158 | MCT + NO3 ----> MCTO + HNO3 | 2.0100E-10 | 2.0100E-10 |\n| R159 | MPAN + NO3 ----> MACP + NO2 | 2.20E-14e -500.00/T | 4.1125E-15 |\n| TRP11 | PINALP ----> HOM | 2.9000E-02 | 2.9000E-02 |\n| TRP12 | LIMALP ----> HOM | 2.4000E-02 | 2.4000E-02 |\n| R166 | ACO3 + NO2 ----> PAN | ko= 9.70E-29e 0.0/T(T/300) -5.60
ki = 9.30E-12e 0.0/T(T/300) -1.50
n= 1.00;F= 0.60 | 8.6800E-12 |\n| R167 | PAN ----> ACO3 + NO2 | 1.11E+28e-14000.00/T \\*R166 | 3.9034E-048| \n| R168 | RCO3 + NO2 ----> PPN | ko= 9.70E-29e 0.0/T(T/300) -5.60
ki = 9.30E-12e 0.0/T(T/300) -1.50
n= 1.00;F= 0.60 | 8.6800E-12 |\n| R169 | PPN ----> RCO3 + NO2 | 1.11E+28e-14000.00/T \\*R168 | 3.9034E-048| \n| R170 | MACP + NO2 ----> MPAN | 2.80E-12e 181.00/T | 5.1382E-12 |\n| R171 | MPAN ----> MACP + NO2 | 1.60E+16e-13486.00/T | 3.6308E-04 |\n| R172 | MO2 + NO ----> HO2 + NO2 + HCHO | 2.80E-12e 300.00/T | 7.6586E-12 |\n| R173 | ETHP + NO ----> HO2 + NO2 + ACD | 2.60E-12e 365.00/T | 8.8439E-12 |\n| R174 | HC3P + NO ----> 0.6600\\*HO2 + 0.1310\\*MO2 + 0.0480\\*ETHP + 0.0890\\*XO2 + 0.9350\\*NO2 + 0.5040\\*ACD + 0.1320\\*ALD + 0.1650\\*ACT + 0.0420\\*MEK + 0.0650\\*ONIT | 4.0000E-12 | 4.0000E-12 |\n| R175 | HC5P + NO ----> 0.2000\\*HO2 + 0.0510\\*MO2 + 0.2310\\*ETHP + 0.2350\\*XO2 + 0.8640\\*NO2 + 0.0180\\*HCHO + 0.0450\\*ACD + 0.2030\\*ALD + 0.0330\\*MEK + 0.2170\\*ACT + 0.0330\\*KET + 0.2720\\*HKET + 0.1360\\*ONIT | 4.0000E-12 | 4.0000E-12 |\n| R177 | ETEP + NO ----> HO2 + NO2 + 1.6000\\*HCHO + 0.2000\\*ALD | 9.0000E-12 | 9.0000E-12 |\n| R178 | OLTP + NO ----> 0.7800\\*HO2 + 0.9700\\*NO2 + 0.7800\\*HCHO + 0.0120\\*ACD + 0.4400\\*ALD + 0.0600\\*ACT + 0.1300\\*MEK + 0.0300\\*ONIT | 4.0000E-12 | 4.0000E-12 |\n| R179 | OLIP + NO ----> 0.8300\\*HO2 + 0.9500\\*NO2 + 0.8100\\*ACD + 0.6800\\*ALD + 0.2000\\*ACT + 0.0900\\*KET + 0.0200\\*HKET + 0.0500\\*ONIT | 4.0000E-12 | 4.0000E-12 |\n| ROCARO33 | BENP + NO ----> 0.0000\\*ONIT + 0.0012\\*VROCP4OXY2 + 0.0008\\*VROCN1OXY6 + 0.9980\\*NO2 + 0.9980\\*HO2 + 0.0000\\*BALD + 0.9980\\*GLY + 0.4990\\*FURANONE + 0.2495\\*DCB2 + 0.2495\\*DCB3 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| ROCARO43 | TOLP + NO ----> 0.0002\\*ONIT + 0.0013\\*VROCP4OXY2 + 0.0006\\*VROCN1OXY6 + 0.9980\\*NO2 + 0.9980\\*HO2 + 0.0852\\*BALD + 0.5477\\*GLY + 0.3651\\*MGLY + 0.3651\\*FURANONE + 0.5477\\*DCB1 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| ROCARO53 | XYLP + NO ----> 0.0001\\*ONIT + 0.0013\\*VROCP3OXY2 + 0.0006\\*VROCP0OXY4 + 0.9980\\*NO2 + 0.9980\\*HO2 + 0.0481\\*BALD + 0.7029\\*GLY + 0.2470\\*MGLY + 0.3515\\*FURANONE + 0.5984\\*DCB2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| ROCARO63 | EBZP + NO ----> 0.0002\\*ONIT + 0.0013\\*VROCP3OXY2 + 0.0006\\*VROCP0OXY4 + 0.9980\\*NO2 + 0.9980\\*HO2 + 0.0852\\*BALD + 0.5477\\*GLY + 0.3651\\*MGLY + 0.4564\\*FURANONE + 0.4564\\*DCB2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| R189 | APIP1 + NO ----> 0.2370\\*TRPN + 0.7630\\*HO2 + 0.7630\\*NO2 + 0.1950\\*PINAL + 0.2840\\*ALD + 0.0865\\*ACT + 0.1285\\*LIMAL + 0.3080\\*HCHO + 0.0715\\*OPB + 0.0840\\*KET | 2.70E-12e 360.00/T | 9.0313E-12 |\n| TRP13 | APIP2 + NO ----> 0.8200\\*HO + 0.8200\\*NO2 + HOM | 4.0000E-12 | 4.0000E-12 |\n| TRP14 | APINP1 + NO ----> 1.6955\\*NO2 + 0.2345\\*TRPN + 0.0700\\*ONIT + 0.6045\\*PINAL + 0.1540\\*ALD + 0.0070\\*KET + 0.0070\\*HCHO + 0.1645\\*HO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| TRP15 | APINP2 + NO ----> 0.8200\\*NO2 + 0.8200\\*HO + HOM | 4.0000E-12 | 4.0000E-12 |\n| R190 | LIMP1 + NO ----> 0.2300\\*TRPN + 0.7700\\*NO2 + 0.7700\\*LIMAL + 0.7700\\*HO2 + 0.4300\\*HCHO | 2.70E-12e 360.00/T | 9.0313E-12 |\n| TRP16 | LIMP2 + NO ----> 0.7700\\*HO + 0.7700\\*NO2 + HOM | 4.0000E-12 | 4.0000E-12 |\n| TRP17 | LIMNP1 + NO ----> 0.5700\\*TRPN + 0.0700\\*ONIT + 1.3600\\*NO2 + 0.4300\\*LIMAL + 0.5000\\*HO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| TRP18 | LIMNP2 + NO ----> 0.7700\\*NO2 + 0.7700\\*HO + HOM | 4.0000E-12 | 4.0000E-12 |\n| TRP19 | PINALP + NO ----> 0.3600\\*TRPN + 0.6400\\*HOM + 0.6400\\*NO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| TRP20 | LIMALP + NO ----> 0.6400\\*TRPN + 0.3600\\*NO2 + 0.3600\\*HO2 + 0.3600\\*HCHO + 0.3600\\*PAA | 2.70E-12e 360.00/T | 9.0313E-12 |\n| R191 | ACO3 + NO ----> MO2 + NO2 | 8.10E-12e 270.00/T | 2.0034E-11 |\n| R192 | RCO3 + NO ----> ETHP + NO2 | 8.10E-12e 270.00/T | 2.0034E-11 |\n| R193 | ACTP + NO ----> ACO3 + NO2 + HCHO | 2.90E-12e 300.00/T | 7.9321E-12 |\n| R194 | MEKP + NO ----> 0.6700\\*HO2 + NO2 + 0.3300\\*HCHO + 0.6700\\*DCB1 | 4.0000E-12 | 4.0000E-12 |\n| R195 | KETP + NO ----> 0.7700\\*HO2 + 0.2300\\*ACO3 + 0.1600\\*XO2 + NO2 + 0.4600\\*ALD + 0.5400\\*MGLY | 4.0000E-12 | 4.0000E-12 |\n| R196 | MACP + NO ----> 0.6500\\*MO2 + 0.3500\\*ACO3 + NO2 + 0.6500\\*CO + 0.6500\\*HCHO | 2.54E-12e 360.00/T | 8.4961E-12 |\n| R197 | MCP + NO ----> NO2 + 0.5000\\*HO2 + 0.5000\\*HCHO + HKET | 2.54E-12e 360.00/T | 8.4961E-12 |\n| R198 | MVKP + NO ----> 0.3000\\*HO2 + 0.7000\\*ACO3 + 0.7000\\*XO2 + NO2 + 0.3000\\*HCHO + 0.7000\\*ALD + 0.3000\\*MGLY | 2.54E-12e 360.00/T | 8.4961E-12 |\n| R199 | UALP + NO ----> HO2 + NO2 + 0.6100\\*CO + 0.0300\\*HCHO + 0.2700\\*ALD + 0.1800\\*GLY + 0.7000\\*KET + 0.2100\\*MGLY | 2.54E-12e 360.00/T | 8.4961E-12 |\n| R200 | BALP + NO ----> BAL1 + NO2 | 4.0000E-12 | 4.0000E-12 |\n| R201 | BAL1 + NO ----> BAL2 + NO2 | 4.0000E-12 | 4.0000E-12 |\n| R202 | ADDC + NO ----> HO2 + NO2 + 0.3200\\*HKET + 0.6800\\*GLY + 0.6800\\*OP2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| R203 | MCTP + NO ----> MCTO + NO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| R204 | ORAP + NO ----> NO2 + GLY + HO2 | 4.0000E-12 | 4.0000E-12 |\n| R205 | OLNN + NO ----> NO2 + HO2 + ONIT | 4.0000E-12 | 4.0000E-12 |\n| R206 | OLND + NO ----> 2.0000\\*NO2 + 0.2870\\*HCHO + 1.2400\\*ALD + 0.4640\\*KET | 4.0000E-12 | 4.0000E-12 |\n| R207 | ADCN + NO ----> 2.0000\\*NO2 + GLY + OP2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| R208 | XO2 + NO ----> NO2 | 4.0000E-12 | 4.0000E-12 |\n| R209 | BAL2 + NO2 ----> ONIT | 2.0000E-11 | 2.0000E-11 |\n| R210 | CHO + NO2 ----> ONIT | 2.0000E-11 | 2.0000E-11 |\n| R211 | MCTO + NO2 ----> ONIT | 2.0800E-12 | 2.0800E-12 |\n| R212 | MO2 + HO2 ----> OP1 | 4.10E-13e 750.00/T | 5.0729E-12 |\n| R213 | ETHP + HO2 ----> OP2 | 7.50E-13e 700.00/T | 7.8470E-12 |\n| R214 | HC3P + HO2 ----> OP2 | 1.66E-13e 1300.00/T | 1.2994E-11 |\n| R215 | HC5P + HO2 ----> OP2 | 1.66E-13e 1300.00/T | 1.2994E-11 |\n| R217 | ETEP + HO2 ----> OP2 | 1.90E-13e 1300.00/T | 1.4872E-11 |\n| R218 | OLTP + HO2 ----> OP2 | 1.66E-13e 1300.00/T | 1.2994E-11 |\n| R219 | OLIP + HO2 ----> OP2 | 1.66E-13e 1300.00/T | 1.2994E-11 |\n| ROCARO32 | BENP + HO2 ----> 0.6021\\*OP2 + 0.3979\\*VROCN1OXY6 | 2.91E-13e 1300.00/T | 2.2778E-11 |\n| ROCARO42 | TOLP + HO2 ----> 0.7195\\*OP2 + 0.2805\\*VROCN1OXY6 | 2.91E-13e 1300.00/T | 2.2778E-11 |\n| ROCARO52 | XYLP + HO2 ----> 0.0482\\*OP2 + 0.6747\\*OP3 + 0.2771\\*VROCP0OXY4 | 2.91E-13e 1300.00/T | 2.2778E-11 |\n| ROCARO62 | EBZP + HO2 ----> 0.0854\\*OP2 + 0.6341\\*OP3 + 0.2805\\*VROCP0OXY4 | 2.91E-13e 1300.00/T | 2.2778E-11 |\n| R229 | APIP1 + HO2 ----> 0.0390\\*ACT + 0.0390\\*LIMAL + 0.0625\\*HCHO + 0.7620\\*OPB + 0.3225\\*HO2 + 0.1885\\*PINAL + 0.2380\\*HO + 0.0105\\*KET | 2.60E-13e 1300.00/T | 2.0351E-11 |\n| TRP21 | APIP2 + HO2 ----> HOM | 1.5000E-11 | 1.5000E-11 |\n| TRP22 | APINP1 + HO2 ----> 0.4610\\*TRPN + 0.4550\\*PINAL + 0.5390\\*NO2 + 0.6195\\*HO + 0.0770\\*ALD + 0.0070\\*KET + 0.0070\\*HCHO | 2.71E-13e 1300.00/T | 2.1212E-11 |\n| TRP23 | APINP2 + HO2 ----> HOM | 1.5000E-11 | 1.5000E-11 |\n| R230 | LIMP1 + HO2 ----> 0.9000\\*OPB + 0.1000\\*LIMAL + 0.1000\\*HO + 0.1000\\*HO2 + 0.0600\\*HCHO | 2.60E-13e 1300.00/T | 2.0351E-11 |\n| TRP24 | LIMP2 + HO2 ----> HOM | 1.5000E-11 | 1.5000E-11 |\n| TRP25 | LIMNP1 + HO2 ----> 0.7700\\*TRPN + 0.5000\\*HO + 0.2300\\*LIMAL + 0.2300\\*NO2 + 0.2700\\*HO2 | 2.71E-13e 1300.00/T | 2.1212E-11 |\n| TRP26 | LIMNP2 + HO2 ----> HOM | 1.5000E-11 | 1.5000E-11 |\n| TRP27 | PINALP + HO2 ----> 0.7500\\*OPB + 0.2500\\*HO + 0.2500\\*HOM | 2.71E-13e 1300.00/T | 2.1212E-11 |\n| TRP28 | LIMALP + HO2 ----> 0.9000\\*OPB + 0.1000\\*HO + 0.1000\\*HO2 + 0.1000\\*HCHO + 0.1000\\*PAA | 2.73E-13e 1300.00/T | 2.1369E-11 |\n| R231 | ACO3 + HO2 ----> 0.4400\\*HO + 0.4400\\*MO2 + 0.1500\\*ORA2 + 0.4100\\*PAA | 4.30E-13e 1040.00/T | 1.4072E-11 |\n| R232 | RCO3 + HO2 ----> 0.4400\\*HO + 0.4400\\*ETHP + 0.1500\\*ORA2 + 0.4100\\*PAA | 4.30E-13e 1040.00/T | 1.4072E-11 |\n| R233 | ACTP + HO2 ----> 0.1500\\*HO + 0.1500\\*ACO3 + 0.1500\\*HCHO + 0.8500\\*OP2 | 1.15E-13e 1300.00/T | 9.0016E-12 |\n| R234 | MEKP + HO2 ----> OP2 | 1.15E-13e 1300.00/T | 9.0016E-12 |\n| R235 | KETP + HO2 ----> OP2 | 1.15E-13e 1300.00/T | 9.0016E-12 |\n| R236 | MACP + HO2 ----> MAHP | 1.82E-13e 1300.00/T | 1.4246E-11 |\n| R237 | MCP + HO2 ----> MAHP | 1.82E-13e 1300.00/T | 1.4246E-11 |\n| R238 | MVKP + HO2 ----> OP2 | 2.91E-13e 1300.00/T | 2.2778E-11 |\n| R239 | UALP + HO2 ----> OP2 | 2.91E-13e 1300.00/T | 2.2778E-11 |\n| R240 | ADDC + HO2 ----> OP2 | 3.75E-13e 980.00/T | 1.0035E-11 |\n| R241 | CHO + HO2 ----> CSL | 1.0000E-11 | 1.0000E-11 |\n| R242 | MCTP + HO2 ----> OP2 | 3.75E-13e 980.00/T | 1.0035E-11 |\n| R243 | ORAP + HO2 ----> OP2 | 1.15E-13e 1300.00/T | 9.0016E-12 |\n| R244 | OLNN + HO2 ----> ONIT | 1.66E-13e 1300.00/T | 1.2994E-11 |\n| R245 | OLND + HO2 ----> ONIT | 1.66E-13e 1300.00/T | 1.2994E-11 |\n| R246 | ADCN + HO2 ----> OP2 | 3.75E-13e 980.00/T | 1.0035E-11 |\n| R247 | XO2 + HO2 ----> OP2 | 1.66E-13e 1300.00/T | 1.2994E-11 |\n| R248 | MO2 + MO2 ----> 0.7400\\*HO2 + 1.3700\\*HCHO + 0.6300\\*MOH | 9.50E-14e 390.00/T | 3.5141E-13 |\n| R249 | ETHP + MO2 ----> HO2 + 0.7500\\*HCHO + 0.7500\\*ACD + 0.2500\\*MOH + 0.2500\\*EOH | 1.18E-13e 158.00/T | 2.0046E-13 |\n| R250 | HC3P + MO2 ----> 0.8940\\*HO2 + 0.0800\\*MO2 + 0.0260\\*ETHP + 0.0260\\*XO2 + 0.8270\\*HCHO + 0.1980\\*ALD + 0.4970\\*KET + 0.0500\\*GLY + 0.2500\\*MOH + 0.2500\\*ROH | 9.46E-14e 431.00/T | 4.0151E-13 |\n| R251 | HC5P + MO2 ----> 0.8420\\*HO2 + 0.0180\\*MO2 + 0.1400\\*ETHP + 0.1910\\*XO2 + 0.7770\\*HCHO + 0.2510\\*ALD + 0.6180\\*KET + 0.2500\\*MOH + 0.2500\\*ROH | 1.00E-13e 467.00/T | 4.7890E-13 |\n| R253 | ETEP + MO2 ----> HO2 + 1.9500\\*HCHO + 0.1500\\*ALD + 0.2500\\*MOH + 0.2500\\*ETEG | 1.71E-13e 708.00/T | 1.8378E-12 |\n| R254 | OLTP + MO2 ----> HO2 + 1.5000\\*HCHO + 0.7050\\*ALD + 0.0450\\*KET + 0.2500\\*MOH + 0.2500\\*ROH | 1.46E-13e 708.00/T | 1.5691E-12 |\n| R255 | OLIP + MO2 ----> HO2 + 0.7500\\*HCHO + 1.2800\\*ALD + 0.2180\\*KET + 0.2500\\*MOH + 0.2500\\*ROH | 9.18E-14e 708.00/T | 9.8659E-13 |\n| ROCARO35 | BENP + MO2 ----> 0.6800\\*HCHO + 1.3700\\*HO2 + 0.3200\\*MOH + 0.0000\\*BALD + GLY + 0.5000\\*FURANONE + 0.2500\\*DCB2 + 0.2500\\*DCB3 | 3.56E-14e 708.00/T | 3.8260E-13 |\n| ROCARO45 | TOLP + MO2 ----> 0.6800\\*HCHO + 1.2846\\*HO2 + 0.3200\\*MOH + 0.0854\\*BALD + 0.5488\\*GLY + 0.3659\\*MGLY + 0.3659\\*FURANONE + 0.5488\\*DCB1 | 3.56E-14e 708.00/T | 3.8260E-13 |\n| ROCARO55 | XYLP + MO2 ----> 0.6800\\*HCHO + 1.3218\\*HO2 + 0.3200\\*MOH + 0.0482\\*BALD + 0.7043\\*GLY + 0.2475\\*MGLY + 0.3522\\*FURANONE + 0.5996\\*DCB2 | 3.56E-14e 708.00/T | 3.8260E-13 |\n| ROCARO65 | EBZP + MO2 ----> 0.6800\\*HCHO + 1.2846\\*HO2 + 0.3200\\*MOH + 0.0854\\*BALD + 0.5488\\*GLY + 0.3659\\*MGLY + 0.4573\\*FURANONE + 0.4573\\*DCB2 | 3.56E-14e 708.00/T | 3.8260E-13 |\n| R264 | ISOP + MO2 ----> HO2 + 1.3100\\*HCHO + 0.1590\\*MACR + 0.2500\\*MVK + 0.2500\\*MOH + 0.2500\\*ROH + 0.0230\\*ALD + 0.0180\\*GLY + 0.0160\\*HKET | 3.40E-14e 221.00/T | 7.1350E-14 |\n| R265 | APIP1 + MO2 ----> 1.0295\\*HCHO + 0.2205\\*LIMAL + 0.2730\\*PINAL + 0.2385\\*ALD + 0.0845\\*OPB + 0.1105\\*MOH + 0.1835\\*KET + 0.0670\\*ACT + 1.2790\\*HO2 | 2.0000E-12 | 2.0000E-12 |\n| TRP29 | APIP2 + MO2 ----> HO2 + 0.7500\\*HCHO + 0.2500\\*MOH + HOM | 1.0000E-10 | 1.0000E-10 |\n| TRP30 | APINP1 + MO2 ----> 0.3410\\*TRPN + 0.9640\\*HCHO + 0.0430\\*MOH + 0.9180\\*HO2 + 0.6590\\*NO2 + 0.5330\\*PINAL + 0.0070\\*KET + 0.1190\\*ALD | 2.0000E-12 | 2.0000E-12 |\n| TRP31 | APINP2 + MO2 ----> 0.7500\\*HO2 + 0.7500\\*NO2 + 0.2500\\*MOH + 0.7500\\*HCHO + HOM | 1.0000E-10 | 1.0000E-10 |\n| R266 | LIMP1 + MO2 ----> 0.2500\\*MOH + LIMAL + 1.0300\\*HCHO + HO2 | 2.0000E-12 | 2.0000E-12 |\n| TRP32 | LIMP2 + MO2 ----> HO2 + 0.7500\\*HCHO + 0.2500\\*MOH + HOM | 1.0000E-10 | 1.0000E-10 |\n| TRP33 | LIMNP1 + MO2 ----> 0.6900\\*TRPN + 0.9100\\*HCHO + 0.0900\\*MOH + 1.0100\\*HO2 + 0.3100\\*LIMAL + 0.3100\\*NO2 | 2.0000E-12 | 2.0000E-12 |\n| TRP34 | LIMNP2 + MO2 ----> 0.7500\\*HO2 + 0.7500\\*HCHO + 0.7500\\*NO2 + 0.2500\\*MOH + HOM | 1.0000E-10 | 1.0000E-10 |\n| R267 | ACO3 + MO2 ----> 0.9000\\*HO2 + 0.9000\\*MO2 + HCHO + 0.1000\\*ORA2 | 2.00E-11e 500.00/T | 1.0699E-10 |\n| R268 | RCO3 + MO2 ----> 0.9000\\*HO2 + 0.9000\\*MO2 + HCHO + 0.1000\\*ORA2 | 2.00E-11e 500.00/T | 1.0699E-10 |\n| R269 | ACTP + MO2 ----> 0.5000\\*HO2 + 0.5000\\*ACO3 + 1.5000\\*HCHO + 0.2500\\*MOH + 0.2500\\*ROH + 0.1250\\*ORA2 | 7.50E-13e 500.00/T | 4.0121E-12 |\n| R270 | MEKP + MO2 ----> 0.8340\\*HO2 + HCHO + 0.3340\\*DCB1 + 0.2500\\*MOH + 0.2500\\*ROH | 6.91E-13e 508.00/T | 3.7971E-12 |\n| R271 | KETP + MO2 ----> HO2 + 0.7500\\*HCHO + 0.5000\\*DCB1 + 0.2500\\*MOH + 0.2500\\*ROH | 6.91E-13e 508.00/T | 3.7971E-12 |\n| R272 | MACP + MO2 ----> 0.5000\\*HO2 + 0.2690\\*ACO3 + 0.5000\\*CO + 1.6600\\*HCHO + 0.0670\\*ORA2 + 0.2500\\*MO2 + 0.2500\\*MOH + 0.2500\\*ROH | 3.40E-14e 221.00/T | 7.1350E-14 |\n| R273 | MCP + MO2 ----> NO2 + HO2 + 1.5000\\*HCHO + 0.5000\\*HKET + 0.2500\\*MOH + 0.2500\\*ROH | 3.40E-14e 221.00/T | 7.1350E-14 |\n| R274 | MVKP + MO2 ----> HO2 + 1.1600\\*ACO3 + 1.1600\\*XO2 + 1.5000\\*HCHO + 1.7500\\*ALD + 0.5000\\*MGLY + 0.2500\\*MOH + 0.2500\\*ROH + 0.2920\\*ORA2 | 8.3700E-14 | 8.3700E-14 |\n| R275 | UALP + MO2 ----> HO2 + 0.3050\\*CO + 0.7730\\*HCHO + 0.2030\\*ALD + 0.5250\\*KET + 0.1350\\*GLY + 0.1050\\*MGLY + 0.2500\\*MOH + 0.2500\\*ROH | 3.40E-14e 221.00/T | 7.1350E-14 |\n| R276 | BALP + MO2 ----> HO2 + BAL1 + HCHO | 3.56E-14e 708.00/T | 3.8260E-13 |\n| R277 | BAL1 + MO2 ----> HO2 + BAL2 + HCHO | 3.56E-14e 708.00/T | 3.8260E-13 |\n| R278 | ADDC + MO2 ----> 2.0000\\*HO2 + HCHO + 0.3200\\*HKET + 0.6800\\*GLY + 0.6800\\*OP2 | 3.56E-14e 708.00/T | 3.8260E-13 |\n| R279 | MCTP + MO2 ----> HO2 + MCTO + HCHO | 3.56E-14e 708.00/T | 3.8260E-13 |\n| R280 | ORAP + MO2 ----> HCHO + HO2 + GLY | 7.50E-13e 500.00/T | 4.0121E-12 |\n| R281 | OLNN + MO2 ----> 2.0000\\*HO2 + HCHO + ONIT | 1.60E-13e 708.00/T | 1.7195E-12 |\n| R282 | OLND + MO2 ----> 0.5000\\*HO2 + 0.5000\\*NO2 + 0.9650\\*HCHO + 0.9300\\*ALD + 0.3480\\*KET + 0.2500\\*MOH + 0.2500\\*ROH + 0.5000\\*ONIT | 9.68E-14e 708.00/T | 1.0403E-12 |\n| R283 | ADCN + MO2 ----> HO2 + 0.7000\\*NO2 + HCHO + 0.7000\\*GLY + 0.7000\\*OP2 + 0.3000\\*ONIT | 3.5600E-14 | 3.5600E-14 |\n| R284 | XO2 + MO2 ----> HO2 + HCHO | 5.99E-15e 1510.00/T | 9.4829E-13 |\n| R285 | ETHP + ACO3 ----> 0.5000\\*HO2 + 0.5000\\*MO2 + ACD + 0.5000\\*ORA2 | 1.03E-12e 211.00/T | 2.0902E-12 |\n| R286 | HC3P + ACO3 ----> 0.3940\\*HO2 + 0.5800\\*MO2 + 0.0260\\*ETHP + 0.0260\\*XO2 + 0.1300\\*HCHO + 0.2730\\*ALD + 0.6620\\*KET + 0.0670\\*GLY + 0.5000\\*ORA2 | 6.90E-13e 460.00/T | 3.2277E-12 |\n| R287 | HC5P + ACO3 ----> 0.3420\\*HO2 + 0.5180\\*MO2 + 0.1400\\*ETHP + 0.1910\\*XO2 + 0.0420\\*HCHO + 0.3810\\*ALD + 0.8240\\*KET + 0.5000\\*ORA2 | 5.59E-13e 522.00/T | 3.2194E-12 |\n| R289 | ETEP + ACO3 ----> 0.5000\\*HO2 + 0.5000\\*MO2 + 1.6000\\*HCHO + 0.2000\\*ALD + 0.5000\\*ORA2 | 9.48E-13e 765.00/T | 1.2335E-11 |\n| R290 | OLTP + ACO3 ----> 0.5000\\*HO2 + 0.5000\\*MO2 + HCHO + 0.9400\\*ALD + 0.0600\\*KET + 0.5000\\*ORA2 | 8.11E-13e 765.00/T | 1.0552E-11 |\n| R291 | OLIP + ACO3 ----> 0.5000\\*HO2 + 0.5000\\*MO2 + 1.7100\\*ALD + 0.2900\\*KET + 0.5000\\*ORA2 | 5.09E-13e 765.00/T | 6.6228E-12 |\n| ROCARO36 | BENP + ACO3 ----> 0.7000\\*MO2 + HO2 + 0.3000\\*ORA2 + 0.0000\\*BALD + GLY + 0.5000\\*FURANONE + 0.2500\\*DCB2 + 0.2500\\*DCB3 | 7.40E-13e 765.00/T | 9.6284E-12 |\n| ROCARO46 | TOLP + ACO3 ----> 0.7000\\*MO2 + 0.9146\\*HO2 + 0.3000\\*ORA2 + 0.0854\\*BALD + 0.5488\\*GLY + 0.3659\\*MGLY + 0.3659\\*FURANONE + 0.5488\\*DCB1 | 7.40E-13e 765.00/T | 9.6284E-12 |\n| ROCARO56 | XYLP + ACO3 ----> 0.7000\\*MO2 + 0.9518\\*HO2 + 0.3000\\*ORA2 + 0.0482\\*BALD + 0.7043\\*GLY + 0.2475\\*MGLY + 0.3522\\*FURANONE + 0.5996\\*DCB2 | 7.40E-13e 765.00/T | 9.6284E-12 |\n| ROCARO66 | EBZP + ACO3 ----> 0.7000\\*MO2 + 0.9146\\*HO2 + 0.3000\\*ORA2 + 0.0854\\*BALD + 0.5488\\*GLY + 0.3659\\*MGLY + 0.4573\\*FURANONE + 0.4573\\*DCB2 | 7.40E-13e 765.00/T | 9.6284E-12 |\n| R300 | ISOP + ACO3 ----> 0.5000\\*HO2 + 0.5000\\*MO2 + 1.0480\\*HCHO + 0.2190\\*MACR + 0.3050\\*MVK + 0.5000\\*ORA2 | 8.40E-14e 221.00/T | 1.7628E-13 |\n| R301 | APIP1 + ACO3 ----> 0.2535\\*PINAL + 0.3710\\*ALD + 0.0910\\*OPB + 0.1165\\*ACT + 0.1725\\*LIMAL + 0.4030\\*HCHO + HO2 + MO2 + 0.1120\\*KET | 2.00E-12e 500.00/T | 1.0699E-11 |\n| TRP35 | APIP2 + ACO3 ----> 0.5000\\*HO + 0.5000\\*MO2 + 0.5000\\*ORA2 + HOM | 1.0000E-10 | 1.0000E-10 |\n| TRP36 | APINP1 + ACO3 ----> 0.8250\\*NO2 + 0.6500\\*PINAL + MO2 + 0.1750\\*TRPN + 0.1680\\*ALD + 0.0070\\*KET + 0.0070\\*HCHO + 0.1750\\*HO2 | 2.00E-12e 500.00/T | 1.0699E-11 |\n| TRP37 | APINP2 + ACO3 ----> 0.5000\\*NO2 + 0.5000\\*MO2 + 0.5000\\*ORA2 + HOM | 1.0000E-10 | 1.0000E-10 |\n| R302 | LIMP1 + ACO3 ----> LIMAL + 0.5600\\*HCHO + HO2 + MO2 | 2.00E-12e 500.00/T | 1.0699E-11 |\n| TRP38 | LIMP2 + ACO3 ----> 0.5000\\*HO + 0.5000\\*MO2 + 0.5000\\*ORA2 + HOM | 1.0000E-10 | 1.0000E-10 |\n| TRP39 | LIMNP1 + ACO3 ----> MO2 + 0.4600\\*NO2 + 0.4600\\*LIMAL + 0.5400\\*TRPN + 0.5400\\*HO2 | 2.00E-12e 500.00/T | 1.0699E-11 |\n| TRP40 | LIMNP2 + ACO3 ----> 0.5000\\*MO2 + 0.5000\\*NO2 + 0.5000\\*ORA2 + HOM | 1.0000E-10 | 1.0000E-10 |\n| R303 | ACO3 + ACO3 ----> 2.0000\\*MO2 | 2.50E-12e 500.00/T | 1.3374E-11 |\n| R304 | RCO3 + ACO3 ----> MO2 + ETHP | 2.50E-12e 500.00/T | 1.3374E-11 |\n| R305 | ACTP + ACO3 ----> 0.5000\\*MO2 + 0.5000\\*ACO3 + HCHO + 0.7500\\*ORA2 | 7.51E-13e 565.00/T | 4.9962E-12 |\n| R306 | MEKP + ACO3 ----> 0.3300\\*HO2 + 0.5000\\*MO2 + 0.3300\\*HCHO + 0.3340\\*DCB1 + 0.5000\\*ORA2 | 7.51E-13e 565.00/T | 4.9962E-12 |\n| R307 | KETP + ACO3 ----> 0.5000\\*HO2 + 0.5000\\*MO2 + 0.5000\\*DCB1 + 0.5000\\*ORA2 | 7.51E-13e 565.00/T | 4.9962E-12 |\n| R308 | MACP + ACO3 ----> 0.6350\\*ORA2 + 0.5000\\*MO2 + 0.2690\\*ACO3 + 0.5000\\*CO + HCHO | 8.40E-14e 221.00/T | 1.7628E-13 |\n| R309 | MCP + ACO3 ----> NO2 + 0.5000\\*HO2 + HCHO + 0.5000\\*HKET + 0.5000\\*MO2 + 0.5000\\*ORA2 | 8.40E-14e 221.00/T | 1.7628E-13 |\n| R310 | MVKP + ACO3 ----> 0.5000\\*HO2 + 0.5000\\*MO2 + 1.1600\\*ACO3 + 1.1600\\*XO2 + HCHO + 2.3000\\*ALD + 0.5000\\*MGLY + 1.0830\\*ORA2 | 1.68E-12e 500.00/T | 8.9872E-12 |\n| R311 | UALP + ACO3 ----> 0.5000\\*HO2 + 0.5000\\*MO2 + 0.5000\\*CO + 0.0300\\*HCHO + 0.2700\\*ALD + 0.7000\\*KET + 0.1800\\*GLY + 0.1050\\*MGLY + 0.5000\\*ORA2 | 1.68E-12e 500.00/T | 8.9872E-12 |\n| R312 | BALP + ACO3 ----> MO2 + BAL1 | 7.40E-13e 765.00/T | 9.6284E-12 |\n| R313 | BAL1 + ACO3 ----> MO2 + BAL2 | 7.40E-13e 765.00/T | 9.6284E-12 |\n| R314 | ADDC + ACO3 ----> 2.0000\\*HO2 + MO2 + 0.3200\\*HKET + 0.6800\\*GLY + 0.6800\\*OP2 | 7.40E-13e 708.00/T | 7.9529E-12 |\n| R315 | MCTP + ACO3 ----> HO2 + MO2 + MCTO | 7.40E-13e 708.00/T | 7.9529E-12 |\n| R316 | ORAP + ACO3 ----> MO2 + GLY | 7.51E-13e 565.00/T | 4.9962E-12 |\n| R317 | OLNN + ACO3 ----> HO2 + MO2 + ONIT | 8.85E-13e 765.00/T | 1.1515E-11 |\n| R318 | OLND + ACO3 ----> 0.5000\\*MO2 + NO2 + 0.2870\\*HCHO + 1.2400\\*ALD + 0.4640\\*KET + 0.5000\\*ORA2 | 5.37E-13e 765.00/T | 6.9871E-12 |\n| R319 | ADCN + ACO3 ----> HO2 + MO2 + 0.7000\\*NO2 + 0.7000\\*GLY + 0.7000\\*OP2 + 0.3000\\*ONIT | 7.40E-13e 708.00/T | 7.9529E-12 |\n| R320 | XO2 + ACO3 ----> MO2 | 3.40E-14e 1560.00/T | 6.3654E-12 |\n| R321 | RCO3 + RCO3 ----> 2.0000\\*ETHP | 2.50E-12e 500.00/T | 1.3374E-11 |\n| R322 | MO2 + NO3 ----> HO2 + HCHO + NO2 | 1.2000E-12 | 1.2000E-12 |\n| R323 | ETHP + NO3 ----> HO2 + NO2 + ACD | 1.2000E-12 | 1.2000E-12 |\n| R324 | HC3P + NO3 ----> 0.2540\\*HO2 + 0.1400\\*MO2 + 0.0920\\*XO2 + 0.5030\\*ETHP + NO2 + 0.5190\\*ACD + 0.1470\\*ALD + 0.0750\\*MEK + 0.0950\\*ACT | 1.2000E-12 | 1.2000E-12 |\n| R325 | HC5P + NO3 ----> 0.4880\\*HO2 + 0.0550\\*MO2 + 0.2800\\*ETHP + 0.4850\\*XO2 + NO2 + 0.0240\\*HCHO + 0.2410\\*ALD + 0.0600\\*KET + 0.0630\\*MEK + 0.2470\\*ACT + 0.0480\\*ACD + 0.2750\\*HKET | 1.2000E-12 | 1.2000E-12 |\n| R327 | ETEP + NO3 ----> HO2 + NO2 + 1.6000\\*HCHO + 0.2000\\*ALD | 1.2000E-12 | 1.2000E-12 |\n| R328 | OLTP + NO3 ----> 0.4700\\*ALD + 0.7900\\*HCHO + 0.7900\\*HO2 + NO2 + 0.1800\\*MEK + 0.0200\\*ACD + 0.0900\\*ACT | 1.2000E-12 | 1.2000E-12 |\n| R329 | OLIP + NO3 ----> 0.8600\\*HO2 + 0.7200\\*ALD + 0.1100\\*KET + NO2 + 0.2000\\*ACT + 0.8500\\*ACD + 0.0400\\*HKET | 1.2000E-12 | 1.2000E-12 |\n| ROCARO34 | BENP + NO3 ----> NO2 + HO2 + 0.0000\\*BALD + GLY + 0.5000\\*FURANONE + 0.2500\\*DCB2 + 0.2500\\*DCB3 | 2.3000E-12 | 2.3000E-12 |\n| ROCARO44 | TOLP + NO3 ----> NO2 + 0.9146\\*HO2 + 0.0854\\*BALD + 0.5488\\*GLY + 0.3659\\*MGLY + 0.3659\\*FURANONE + 0.5488\\*DCB1 | 2.3000E-12 | 2.3000E-12 |\n| ROCARO54 | XYLP + NO3 ----> NO2 + 0.9518\\*HO2 + 0.0482\\*BALD + 0.7043\\*GLY + 0.2475\\*MGLY + 0.3522\\*FURANONE + 0.5996\\*DCB2 | 2.3000E-12 | 2.3000E-12 |\n| ROCARO64 | EBZP + NO3 ----> NO2 + 0.9146\\*HO2 + 0.0854\\*BALD + 0.5488\\*GLY + 0.3659\\*MGLY + 0.4573\\*FURANONE + 0.4573\\*DCB2 | 2.3000E-12 | 2.3000E-12 |\n| R338 | ISOP + NO3 ----> HO2 + NO2 + 0.7500\\*HCHO + 0.3180\\*MACR + 0.5000\\*MVK + 0.0240\\*GLY + 0.0330\\*HKET + 0.0310\\*ALD | 1.2000E-12 | 1.2000E-12 |\n| R339 | APIP1 + NO3 ----> NO2 + HO2 + 0.2535\\*PINAL + 0.3710\\*ALD + 0.1165\\*ACT + 0.1725\\*LIMAL + 0.4030\\*HCHO + 0.0910\\*OPB + 0.1120\\*KET | 2.3000E-12 | 2.3000E-12 |\n| R340 | LIMP1 + NO3 ----> HO2 + NO2 + LIMAL + 0.5600\\*HCHO | 2.3000E-12 | 2.3000E-12 |\n| TRP53 | APINP1 + NO3 ----> 1.8250\\*NO2 + 0.6500\\*PINAL + 0.1750\\*TRPN + 0.1680\\*ALD + 0.0070\\*KET + 0.0070\\*HCHO + 0.1750\\*HO2 | 2.3000E-12 | 2.3000E-12 |\n| TRP54 | LIMNP1 + NO3 ----> 1.4600\\*NO2 + 0.4600\\*LIMAL + 0.5400\\*TRPN + 0.5400\\*HO2 | 2.3000E-12 | 2.3000E-12 |\n| R341 | ACO3 + NO3 ----> MO2 + NO2 | 4.0000E-12 | 4.0000E-12 |\n| R342 | RCO3 + NO3 ----> ETHP + NO2 | 4.0000E-12 | 4.0000E-12 |\n| R343 | ACTP + NO3 ----> ACO3 + NO2 + HCHO | 1.2000E-12 | 1.2000E-12 |\n| R344 | MEKP + NO3 ----> 0.6700\\*HO2 + NO2 + 0.3300\\*HCHO + 0.6700\\*DCB1 | 1.2000E-12 | 1.2000E-12 |\n| R345 | KETP + NO3 ----> HO2 + NO2 + DCB1 | 1.2000E-12 | 1.2000E-12 |\n| R346 | MACP + NO3 ----> HCHO + 0.5380\\*ACO3 + CO + NO2 | 1.2000E-12 | 1.2000E-12 |\n| R347 | MCP + NO3 ----> NO2 + HO2 + HCHO + HKET | 1.2000E-12 | 1.2000E-12 |\n| R348 | MVKP + NO3 ----> 0.3000\\*HO2 + 0.7000\\*ACO3 + 0.7000\\*XO2 + NO2 + 0.3000\\*HCHO + 0.7000\\*ALD + 0.3000\\*MGLY | 2.5000E-12 | 2.5000E-12 |\n| R349 | UALP + NO3 ----> HO2 + NO2 + 0.6100\\*CO + 0.0300\\*HCHO + 0.2700\\*ALD + 0.7000\\*KET + 0.1800\\*GLY + 0.2100\\*MGLY | 2.5000E-12 | 2.5000E-12 |\n| R350 | BALP + NO3 ----> BAL1 + NO2 | 2.5000E-12 | 2.5000E-12 |\n| R351 | BAL1 + NO3 ----> BAL2 + NO2 | 2.5000E-12 | 2.5000E-12 |\n| R352 | ADDC + NO3 ----> HO2 + NO2 + 0.3200\\*HKET + 0.6800\\*GLY + 0.6800\\*OP2 | 1.2000E-12 | 1.2000E-12 |\n| R353 | MCTP + NO3 ----> NO2 + MCTO | 1.2000E-12 | 1.2000E-12 |\n| R354 | ORAP + NO3 ----> NO2 + GLY + HO2 | 1.2000E-12 | 1.2000E-12 |\n| R355 | OLNN + NO3 ----> HO2 + NO2 + ONIT | 1.2000E-12 | 1.2000E-12 |\n| R356 | OLND + NO3 ----> 2.0000\\*NO2 + 0.2870\\*HCHO + 1.2400\\*ALD + 0.4640\\*KET | 1.2000E-12 | 1.2000E-12 |\n| R357 | ADCN + NO3 ----> 2.0000\\*NO2 + GLY + OP2 | 1.2000E-12 | 1.2000E-12 |\n| R358 | OLNN + OLNN ----> HO2 + 2.0000\\*ONIT | 7.00E-14e 1000.00/T | 2.0032E-12 |\n| R359 | OLNN + OLND ----> 0.5000\\*HO2 + 0.5000\\*NO2 + 0.2020\\*HCHO + 0.6400\\*ALD + 0.1490\\*KET + 1.5000\\*ONIT | 4.25E-14e 1000.00/T | 1.2162E-12 |\n| R360 | OLND + OLND ----> NO2 + 0.5040\\*HCHO + 1.2100\\*ALD + 0.2850\\*KET + ONIT | 2.96E-14e 1000.00/T | 8.4708E-13 |\n| R361 | XO2 + NO3 ----> NO2 | 1.2000E-12 | 1.2000E-12 |\n| R362 | XO2 + RCO3 ----> ETHP | 2.50E-12e 500.00/T | 1.3374E-11 |\n| R363 | XO2 + XO2 ----> | 7.13E-17e 2950.00/T | 1.4130E-12 |\n| TRP41 | APIP2 + APIP1 ----> 0.9600\\*HOM + 0.4800\\*ROH + 0.4800\\*PINAL + 0.4800\\*HO + 0.4800\\*HO2 + 0.0400\\*ELHOM | 1.0000E-10 | 1.0000E-10 |\n| TRP42 | APIP2 + LIMP1 ----> 0.9600\\*HOM + 0.4800\\*ROH + 0.4800\\*LIMAL + 0.4800\\*HO + 0.4800\\*HO2 + 0.0400\\*ELHOM | 1.0000E-10 | 1.0000E-10 |\n| TRP43 | APIP2 + ISOP ----> 0.9600\\*HOM + 0.4800\\*ROH + 0.4800\\*HCHO + 0.4800\\*MVK + 0.4800\\*HO + 0.4800\\*HO2 + 0.0400\\*ELHOM | 1.0000E-10 | 1.0000E-10 |\n| TRP44 | LIMP2 + APIP1 ----> 0.9600\\*HOM + 0.4800\\*ROH + 0.4800\\*PINAL + 0.4800\\*HO + 0.4800\\*HO2 + 0.0400\\*ELHOM | 1.0000E-10 | 1.0000E-10 |\n| TRP45 | LIMP2 + LIMP1 ----> 0.9600\\*HOM + 0.4800\\*ROH + 0.4800\\*LIMAL + 0.4800\\*HO + 0.4800\\*HO2 + 0.0400\\*ELHOM | 1.0000E-10 | 1.0000E-10 |\n| TRP46 | LIMP2 + ISOP ----> 0.9600\\*HOM + 0.4800\\*ROH + 0.4800\\*HCHO + 0.4800\\*MVK + 0.4800\\*HO + 0.4800\\*HO2 + 0.0400\\*ELHOM | 1.0000E-10 | 1.0000E-10 |\n| TRP47 | APINP2 + APIP1 ----> 0.9600\\*HOM + 0.4800\\*ROH + 0.4800\\*PINAL + 0.4800\\*NO2 + 0.4800\\*HO2 + 0.0400\\*ELHOM | 1.0000E-10 | 1.0000E-10 |\n| TRP48 | APINP2 + LIMP1 ----> 0.9600\\*HOM + 0.4800\\*ROH + 0.4800\\*LIMAL + 0.4800\\*NO2 + 0.4800\\*HO2 + 0.0400\\*ELHOM | 1.0000E-10 | 1.0000E-10 |\n| TRP49 | APINP2 + ISOP ----> 0.9600\\*HOM + 0.4800\\*ROH + 0.4800\\*HCHO + 0.4800\\*MVK + 0.4800\\*NO2 + 0.4800\\*HO2 + 0.0400\\*ELHOM | 1.0000E-10 | 1.0000E-10 |\n| TRP50 | LIMNP2 + APIP1 ----> 0.9600\\*HOM + 0.4800\\*ROH + 0.4800\\*PINAL + 0.4800\\*NO2 + 0.4800\\*HO2 + 0.0400\\*ELHOM | 1.0000E-10 | 1.0000E-10 |\n| TRP51 | LIMNP2 + LIMP1 ----> 0.9600\\*HOM + 0.4800\\*ROH + 0.4800\\*LIMAL + 0.4800\\*NO2 + 0.4800\\*HO2 + 0.0400\\*ELHOM | 1.0000E-10 | 1.0000E-10 |\n| TRP52 | LIMNP2 + ISOP ----> 0.9600\\*HOM + 0.4800\\*ROH + 0.4800\\*HCHO + 0.4800\\*MVK + 0.4800\\*NO2 + 0.4800\\*HO2 + 0.0400\\*ELHOM | 1.0000E-10 | 1.0000E-10 |\n| RAM17 | IEPOX + HO ----> HO | 5.78E-11e -400.00/T | 1.5110E-11 |\n| R001c | VROCIOXY + HO ----> 0.8520\\*ETHP + 0.1490\\*ASOATJ | 6.8900E-12 | 6.8900E-12 |\n| R002c | SLOWROC + HO ----> ETHP + 0.0010\\*ASOATJ | 6.5500E-14 | 6.5500E-14 |\n| T17 | ACRO + HO ----> 0.5700\\*MACP + 0.4300\\*MCP | 8.00E-12e 380.00/T | 2.8616E-11 |\n| T18 | ACRO + O3 ----> 0.8400\\*CO + 0.5600\\*HO2 + 0.2800\\*HO + 0.7200\\*HCHO + 0.6200\\*GLY | 2.9000E-19 | 2.9000E-19 |\n| T19 | ACRO + NO3 ----> 0.6800\\*HCHO + 0.3200\\*MACP + 0.6800\\*XO2 + 0.6800\\*MGLY + 0.3200\\*HNO3 + 0.6800\\*NO2 | 3.4000E-15 | 3.4000E-15 |\n| T20 | ACRO ----> CO + 0.4770\\*HO2 + 0.2500\\*ETE + 0.3540\\*ACO3 + 0.2040\\*HO + 0.1500\\*HCHO + 0.0270\\*MO2 | ACRO_09 | Not Available1 | \n| T10 | BDE13 + HO ----> 0.6670\\*BDE13P + 0.3330\\*UALD + 0.3330\\*HO2 | 1.48E-11e 448.00/T | 6.6502E-11 |\n| T10a | BDE13P + NO ----> 0.9680\\*HO2 + 0.9680\\*NO2 + 0.8950\\*ACRO + 0.8950\\*HCHO + 0.0720\\*FURAN + 0.0320\\*ONIT | 9.0500E-12 | 9.0500E-12 |\n| T10b | BDE13P + NO3 ----> HO2 + NO2 + 0.9250\\*ACRO + 0.9250\\*HCHO + 0.0750\\*FURAN | 2.3000E-12 | 2.3000E-12 |\n| T10c | BDE13P + HO2 ----> OP2 | 1.6100E-11 | 1.6100E-11 |\n| T10d | BDE13P + MO2 ----> 0.3200\\*MOH + 1.1430\\*HCHO + 0.8700\\*HO2 + 0.4630\\*ACRO + 0.2500\\*OLT + 0.2310\\*MVK + 0.0370\\*FURAN + 0.0190\\*UALD | 2.3900E-12 | 2.3900E-12 |\n| T10e | BDE13P + ACO3 ----> 0.7000\\*MO2 + 0.3000\\*ORA2 + 0.8000\\*HO2 + 0.7400\\*ACRO + 0.7400\\*HCHO + 0.1850\\*MVK + 0.0600\\*FURAN + 0.0150\\*UALD | 1.3700E-11 | 1.3700E-11 |\n| T11 | BDE13 + O3 ----> 0.6200\\*ACRO + 0.6300\\*CO + 0.4200\\*HO2 + 0.0800\\*HO + 0.8300\\*HCHO + 0.1700\\*ETE | 1.34E-14e -2283.00/T | 6.3331E-18 |\n| T12 | BDE13 + NO3 ----> 0.9000\\*OLNN + 0.1000\\*OLND + 0.9000\\*ACRO | 1.0000E-13 | 1.0000E-13 |\n| R003c | FURAN + HO ----> 0.4900\\*DCB1 + 0.4900\\*HO2 + 0.5100\\*FURANO2 | 5.0100E-11 | 5.0100E-11 |\n| R004c | FURANO2 + NO ----> 0.0800\\*ONIT + 0.9200\\*NO2 + 0.9200\\*FURANONE + 0.7500\\*HO2 + 0.1700\\*MO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| R005c | FURANO2 + HO2 ----> 0.6000\\*OP2 + 0.4000\\*FURANONE + 0.4000\\*HO + 0.3200\\*HO2 + 0.0800\\*MO2 | 3.75E-13e 980.00/T | 1.0035E-11 |\n| R006c | FURANONE + HO ----> 0.6500\\*KET + 0.3100\\*GLY + 0.6600\\*HO2 + 0.3400\\*MO2 + 0.4300\\*CO + 0.0400\\*ASOATJ | 4.4000E-11 | 4.4000E-11 |\n| R007c | FURAN + O3 ----> 0.0200\\*HO + ALD | 3.4300E-17 | 3.4300E-17 |\n| R008c | FURAN + NO3 ----> NO2 + 0.8000\\*DCB1 + 0.2000\\*DCB3 | 8.9900E-12 | 8.9900E-12 |\n| R010c | PROG + HO ----> 0.6130\\*HKET + 0.3870\\*ALD + HO2 | 1.2000E-11 | 1.2000E-11 |\n| R011c | SESQ + NO3 ----> SESQNRO2 | 1.9000E-11 | 1.9000E-11 |\n| R012c | SESQNRO2 + HO2 ----> VROCP0OXY4 | 2.84E-13e 1300.00/T | 2.2230E-11 |\n| R013c | SESQNRO2 + NO ----> VROCP3OXY2 + 2.0000\\*NO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| R014c | SESQNRO2 + NO3 ----> VROCP3OXY2 + 2.0000\\*NO2 | 2.3000E-12 | 2.3000E-12 |\n| R015c | SESQ + O3 ----> 0.9820\\*VROCP3OXY2 + 0.0180\\*VROCN2OXY2 | 1.2000E-14 | 1.2000E-14 |\n| R016c | SESQ + HO ----> SESQRO2 | 1.9700E-10 | 1.9700E-10 |\n| R017c | SESQRO2 + HO2 ----> VROCP0OXY2 | 2.84E-13e 1300.00/T | 2.2230E-11 |\n| R019c | SESQRO2 + NO3 ----> VROCP3OXY2 | 2.3000E-12 | 2.3000E-12 |\n| R020c | SESQRO2 + NO ----> 0.2470\\*VROCP1OXY3 + 0.7530\\*VROCP3OXY2 + 0.7530\\*NO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| HET_GLY | GLY ----> AGLYJ | HETERO_GLY | Not Available2 | \n| HET_MGLY | MGLY ----> AGLYJ | HETERO_MGLY | Not Available2 | \n| HET_N2O5 | N2O5 ----> 2.0000\\*HNO3 | HETERO_N2O5IJ | Not Available2 | \n| HET_NO2 | NO2 ----> 0.5000\\*HONO + 0.5000\\*HNO3 | HETERO_NO2 | Not Available2 | \n| HET_HO2 | HO2 ----> | HETERO_HO2 | Not Available2 | \n| HET_NO3 | NO3 ----> HNO3 | HETERO_NO3 | Not Available2 | \n| HAL_Ozone | O3 ----> | SEAWATER*min( 6.701E-11e 1.074E+01P+ 3.415E-08e-6.713E-01P,
2.000E-06) | 2.0000E-064| \n| HET_IEPOX | IEPOX ----> IEPOXP | HETERO_IEPOX | Not Available2 | \n| HET_ISO3TET | IEPOXP ----> AISO3NOSJ | HETERO_ISO3NOSJ | Not Available2 | \n| HET_IEPOXOS | IEPOXP + ASO4J ----> AISO3OSJ | HETERO_ISO3OSJ | Not Available2 | \n| HET_IPX | IPX ----> AISO4J | 2.0000E+00\\*HETERO_IEPOX | Not Available2 | \n| HET_INALD | INALD ----> AISO5J + HNO3 | 5.0000E-01\\*HETERO_IEPOX | Not Available2 | \n| ROCALK1c | VROCP6ALK + HO ----> VROCP6ALKP | 1.5300E-11 | 1.5300E-11 |\n| ROCALK2c | VROCP5ALK + HO ----> VROCP5ALKP | 1.6800E-11 | 1.6800E-11 |\n| ROCALK3c | VROCP4ALK + HO ----> VROCP4ALKP | 2.2400E-11 | 2.2400E-11 |\n| ROCALK4c | VROCP3ALK + HO ----> VROCP3ALKP | 2.6700E-11 | 2.6700E-11 |\n| ROCALK5c | VROCP2ALK + HO ----> VROCP2ALKP | 3.0900E-11 | 3.0900E-11 |\n| ROCALK6c | VROCP1ALK + HO ----> VROCP1ALKP | 3.3800E-11 | 3.3800E-11 |\n| HC1001 | HC10 + HO ----> HC10P | 1.1000E-11 | 1.1000E-11 |\n| ROCALK7c | VROCP6ALKP + NO ----> 0.7200\\*VROCP6ALKP2 + 0.2800\\*VROCP4OXY2 + 0.7200\\*NO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| ROCALK8c | VROCP5ALKP + NO ----> 0.7200\\*VROCP5ALKP2 + 0.2800\\*VROCP3OXY2 + 0.7200\\*NO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| ROCALK9c | VROCP4ALKP + NO ----> 0.7200\\*VROCP4ALKP2 + 0.2800\\*VROCP2OXY2 + 0.7200\\*NO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| ROCALK10c | VROCP3ALKP + NO ----> 0.7200\\*VROCP3ALKP2 + 0.2800\\*VROCP1OXY1 + 0.7200\\*NO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| ROCALK11c | VROCP2ALKP + NO ----> 0.7200\\*VROCP2ALKP2 + 0.2800\\*VROCP0OXY2 + 0.7200\\*NO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| ROCALK12c | VROCP1ALKP + NO ----> 0.7200\\*VROCP1ALKP2 + 0.2800\\*VROCN1OXY1 + 0.7200\\*NO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| HC1002 | HC10P + NO ----> 0.7400\\*HC10P2 + 0.2600\\*ONIT + 0.7400\\*NO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| ROCALK13c | VROCP6ALKP + NO3 ----> VROCP6ALKP2 + NO2 | 2.3000E-12 | 2.3000E-12 |\n| ROCALK14c | VROCP5ALKP + NO3 ----> VROCP5ALKP2 + NO2 | 2.3000E-12 | 2.3000E-12 |\n| ROCALK15c | VROCP4ALKP + NO3 ----> VROCP4ALKP2 + NO2 | 2.3000E-12 | 2.3000E-12 |\n| ROCALK16c | VROCP3ALKP + NO3 ----> VROCP3ALKP2 + NO2 | 2.3000E-12 | 2.3000E-12 |\n| ROCALK17c | VROCP2ALKP + NO3 ----> VROCP2ALKP2 + NO2 | 2.3000E-12 | 2.3000E-12 |\n| ROCALK18c | VROCP1ALKP + NO3 ----> VROCP1ALKP2 + NO2 | 2.3000E-12 | 2.3000E-12 |\n| HC1003 | HC10P + NO3 ----> HC10P2 + NO2 | 2.3000E-12 | 2.3000E-12 |\n| ROCALK19c | VROCP6ALKP + HO2 ----> VROCP3OXY2 | 2.1700E-11 | 2.1700E-11 |\n| ROCALK20c | VROCP5ALKP + HO2 ----> VROCP2OXY2 | 2.2000E-11 | 2.2000E-11 |\n| ROCALK21c | VROCP4ALKP + HO2 ----> VROCP1OXY1 | 2.2500E-11 | 2.2500E-11 |\n| ROCALK22c | VROCP3ALKP + HO2 ----> VROCP0OXY2 | 2.2600E-11 | 2.2600E-11 |\n| ROCALK23c | VROCP2ALKP + HO2 ----> VROCN1OXY1 | 2.2700E-11 | 2.2700E-11 |\n| ROCALK24c | VROCP1ALKP + HO2 ----> VROCN2OXY2 | 2.2700E-11 | 2.2700E-11 |\n| HC1004 | HC10P + HO2 ----> OP2 | 2.66E-13e 1300.00/T | 2.0821E-11 |\n| ROCALK25c | VROCP6ALKP2 ----> HO2 + VROCP3OXY2 | 1.8800E-01 | 1.8800E-01 |\n| ROCALK26c | VROCP5ALKP2 ----> HO2 + VROCP2OXY2 | 1.8800E-01 | 1.8800E-01 |\n| ROCALK27c | VROCP4ALKP2 ----> HO2 + VROCP1OXY1 | 1.8800E-01 | 1.8800E-01 |\n| ROCALK28c | VROCP3ALKP2 ----> HO2 + VROCP0OXY2 | 1.8800E-01 | 1.8800E-01 |\n| ROCALK29c | VROCP2ALKP2 ----> HO2 + VROCN1OXY1 | 1.8800E-01 | 1.8800E-01 |\n| ROCALK30c | VROCP1ALKP2 ----> HO2 + VROCN2OXY2 | 1.8800E-01 | 1.8800E-01 |\n| HC1005 | HC10P2 ----> HO2 + VROCP4OXY2 | 1.8800E-01 | 1.8800E-01 |\n| ROCALK31c | VROCP6ALKP2 + NO ----> 0.1400\\*VROCP2OXY2 + 0.8600\\*NO2 + 0.8600\\*VROCP3OXY2 + 0.8600\\*HO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| ROCALK32c | VROCP5ALKP2 + NO ----> 0.1400\\*VROCP1OXY3 + 0.8600\\*NO2 + 0.8600\\*VROCP2OXY2 + 0.8600\\*HO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| ROCALK33c | VROCP4ALKP2 + NO ----> 0.1400\\*VROCP0OXY2 + 0.8600\\*NO2 + 0.8600\\*VROCP1OXY1 + 0.8600\\*HO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| ROCALK34c | VROCP3ALKP2 + NO ----> 0.1400\\*VROCN1OXY1 + 0.8600\\*NO2 + 0.8600\\*VROCP0OXY2 + 0.8600\\*HO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| ROCALK35c | VROCP2ALKP2 + NO ----> 0.1400\\*VROCN2OXY2 + 0.8600\\*NO2 + 0.8600\\*VROCN1OXY1 + 0.8600\\*HO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| ROCALK36c | VROCP1ALKP2 + NO ----> VROCN2OXY2 + 0.8600\\*NO2 + 0.8600\\*HO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| HC1006 | HC10P2 + NO ----> 0.1200\\*ONIT + 0.8800\\*NO2 + 0.8800\\*KET + 0.8800\\*HO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| ROCALK37c | VROCP6ALKP2 + NO3 ----> NO2 + VROCP3OXY2 + HO2 | 2.3000E-12 | 2.3000E-12 |\n| ROCALK38c | VROCP5ALKP2 + NO3 ----> NO2 + VROCP2OXY2 + HO2 | 2.3000E-12 | 2.3000E-12 |\n| ROCALK39c | VROCP4ALKP2 + NO3 ----> NO2 + VROCP1OXY1 + HO2 | 2.3000E-12 | 2.3000E-12 |\n| ROCALK40c | VROCP3ALKP2 + NO3 ----> NO2 + VROCP0OXY2 + HO2 | 2.3000E-12 | 2.3000E-12 |\n| ROCALK41c | VROCP2ALKP2 + NO3 ----> NO2 + VROCN1OXY1 + HO2 | 2.3000E-12 | 2.3000E-12 |\n| ROCALK42c | VROCP1ALKP2 + NO3 ----> NO2 + VROCN2OXY2 + HO2 | 2.3000E-12 | 2.3000E-12 |\n| HC1007 | HC10P2 + NO3 ----> NO2 + KET + HO2 | 2.3000E-12 | 2.3000E-12 |\n| ROCALK43c | VROCP6ALKP2 + HO2 ----> VROCP1OXY3 | 2.1700E-11 | 2.1700E-11 |\n| ROCALK44c | VROCP5ALKP2 + HO2 ----> VROCP0OXY2 | 2.2000E-11 | 2.2000E-11 |\n| ROCALK45c | VROCP4ALKP2 + HO2 ----> VROCN1OXY1 | 2.2500E-11 | 2.2500E-11 |\n| ROCALK46c | VROCP3ALKP2 + HO2 ----> VROCN2OXY2 | 2.2600E-11 | 2.2600E-11 |\n| ROCALK47c | VROCP2ALKP2 + HO2 ----> VROCN2OXY2 | 2.2700E-11 | 2.2700E-11 |\n| ROCALK48c | VROCP1ALKP2 + HO2 ----> VROCN2OXY2 | 2.2700E-11 | 2.2700E-11 |\n| HC1008 | HC10P2 + HO2 ----> VROCP2OXY2 | 2.66E-13e 1300.00/T | 2.0821E-11 |\n| ROCARO01 | VROCP6ARO + HO ----> 0.8400\\*VROCP6AROP + 0.1600\\*HO2 + 0.1600\\*VROCP4OXY2 | 1.8100E-11 | 1.8100E-11 |\n| ROCARO02 | VROCP6AROP + HO2 ----> 0.0595\\*VROCP4OXY2 + 0.9048\\*VROCP1OXY3 + 0.0357\\*VROCN2OXY4 | 2.91E-13e 1300.00/T | 2.2778E-11 |\n| ROCARO03 | VROCP6AROP + NO ----> 0.0001\\*VROCP4OXY2 + 0.0018\\*VROCP2OXY2 + 0.0001\\*VROCN1OXY3 + 0.9980\\*NO2 + 0.9980\\*HO2 + 0.0594\\*BALD + 0.4693\\*GLY + 0.4693\\*MGLY + 0.4693\\*FURANONE + 0.4693\\*DCB2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| ROCARO04 | VROCP6AROP + NO3 ----> NO2 + 0.9405\\*HO2 + 0.0595\\*BALD + 0.4702\\*GLY + 0.4702\\*MGLY + 0.4702\\*FURANONE + 0.4702\\*DCB2 | 2.3000E-12 | 2.3000E-12 |\n| ROCARO05 | VROCP6AROP + MO2 ----> 0.6800\\*HCHO + 1.3105\\*HO2 + 0.3200\\*MOH + 0.0595\\*BALD + 0.4702\\*GLY + 0.4702\\*MGLY + 0.4702\\*FURANONE + 0.4702\\*DCB2 | 3.56E-14e 708.00/T | 3.8260E-13 |\n| ROCARO06 | VROCP6AROP + ACO3 ----> 0.7000\\*MO2 + 0.9405\\*HO2 + 0.3000\\*ORA2 + 0.0595\\*BALD + 0.4702\\*GLY + 0.4702\\*MGLY + 0.4702\\*FURANONE + 0.4702\\*DCB2 | 7.40E-13e 765.00/T | 9.6284E-12 |\n| ROCARO11 | VROCP5ARO + HO ----> 0.8400\\*VROCP5AROP + 0.1600\\*HO2 + 0.1600\\*VROCP3OXY2 | 1.8100E-11 | 1.8100E-11 |\n| ROCARO12 | VROCP5AROP + HO2 ----> 0.0595\\*VROCP3OXY2 + 0.9048\\*VROCP0OXY2 + 0.0357\\*VROCN2OXY4 | 2.91E-13e 1300.00/T | 2.2778E-11 |\n| ROCARO13 | VROCP5AROP + NO ----> 0.0001\\*VROCP3OXY2 + 0.0018\\*VROCP1OXY3 + 0.0001\\*VROCN2OXY4 + 0.9980\\*NO2 + 0.9980\\*HO2 + 0.0594\\*VROCP4OXY2 + 0.4693\\*GLY + 0.4693\\*MGLY + 0.4693\\*FURANONE + 0.4693\\*DCB2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| ROCARO14 | VROCP5AROP + NO3 ----> NO2 + 0.9405\\*HO2 + 0.0595\\*VROCP4OXY2 + 0.4702\\*GLY + 0.4702\\*MGLY + 0.4702\\*FURANONE + 0.4702\\*DCB2 | 2.3000E-12 | 2.3000E-12 |\n| ROCARO15 | VROCP5AROP + MO2 ----> 0.6800\\*HCHO + 1.3105\\*HO2 + 0.3200\\*MOH + 0.0595\\*VROCP4OXY2 + 0.4702\\*GLY + 0.4702\\*MGLY + 0.4702\\*FURANONE + 0.4702\\*DCB2 | 3.56E-14e 708.00/T | 3.8260E-13 |\n| ROCARO16 | VROCP5AROP + ACO3 ----> 0.7000\\*MO2 + 0.9405\\*HO2 + 0.3000\\*ORA2 + 0.0595\\*VROCP4OXY2 + 0.4702\\*GLY + 0.4702\\*MGLY + 0.4702\\*FURANONE + 0.4702\\*DCB2 | 7.40E-13e 765.00/T | 9.6284E-12 |\n| ROCARO21 | NAPH + HO ----> 0.8400\\*NAPHP + 0.1600\\*HO2 + 0.1600\\*VROCP3OXY2 | 2.3100E-11 | 2.3100E-11 |\n| ROCARO22 | NAPHP + HO2 ----> 0.0595\\*VROCP3OXY2 + 0.9048\\*VROCP1OXY3 + 0.0357\\*VROCN2OXY8 | 2.91E-13e 1300.00/T | 2.2778E-11 |\n| ROCARO23 | NAPHP + NO ----> 0.0595\\*VROCP4OXY2 + 0.0018\\*VROCP2OXY2 + 0.0001\\*VROCN2OXY8 + 0.9980\\*NO2 + 0.9980\\*HO2 + 0.4693\\*GLY + 0.4693\\*MGLY + 0.4693\\*FURANONE + 0.4693\\*DCB2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| ROCARO24 | NAPHP + NO3 ----> NO2 + 0.9405\\*HO2 + 0.0595\\*VROCP4OXY2 + 0.4702\\*GLY + 0.4702\\*MGLY + 0.4702\\*FURANONE + 0.4702\\*DCB2 | 2.3000E-12 | 2.3000E-12 |\n| ROCARO25 | NAPHP + MO2 ----> 0.6800\\*HCHO + 1.3105\\*HO2 + 0.3200\\*MOH + 0.0595\\*VROCP4OXY2 + 0.4702\\*GLY + 0.4702\\*MGLY + 0.4702\\*FURANONE + 0.4702\\*DCB2 | 3.56E-14e 708.00/T | 3.8260E-13 |\n| ROCARO26 | NAPHP + ACO3 ----> 0.7000\\*MO2 + 0.9405\\*HO2 + 0.3000\\*ORA2 + 0.0595\\*VROCP4OXY2 + 0.4702\\*GLY + 0.4702\\*MGLY + 0.4702\\*FURANONE + 0.4702\\*DCB2 | 7.40E-13e 765.00/T | 9.6284E-12 |\n| ROCOXY1c | VROCN2OXY8 + HO ----> HO + 0.0854\\*VROCN2OXY8 + 0.2581\\*DCB1 + 0.2581\\*MEK + 0.2581\\*ACD + 0.2581\\*ALD + 0.2581\\*MO2 + 0.2581\\*ETHP + 0.2581\\*HC3P + 0.2581\\*MEKP | 5.9000E-11 | 5.9000E-11 |\n| ROCOXY2c | VROCN2OXY4 + HO ----> HO + 0.4640\\*VROCN2OXY8 + 0.1977\\*VROCN2OXY4 + 0.0121\\*VROCN1OXY6 + 0.0152\\*VROCN1OXY3 + 0.0624\\*VROCP0OXY4 + 0.0388\\*VROCP1OXY3 + 0.0491\\*VROCP2OXY2 + 0.0398\\*VROCP3OXY2 + 0.0183\\*VROCP4OXY2 + 0.0308\\*OP3 + 0.0040\\*OP2 + 0.0794\\*DCB1 + 0.0794\\*MEK + 0.0794\\*KET + 0.0794\\*ACD + 0.0794\\*ALD + 0.0794\\*MO2 + 0.0794\\*ETHP + 0.0794\\*HC3P + 0.0794\\*MEKP + 0.0794\\*HC5P + 0.0794\\*KETP | 6.0700E-11 | 6.0700E-11 |\n| ROCOXY3c | VROCN2OXY2 + HO ----> HO + 0.1041\\*VROCN2OXY8 + 0.5638\\*VROCN2OXY4 + 0.2141\\*VROCN2OXY2 + 0.0153\\*VROCN1OXY6 + 0.0298\\*VROCN1OXY3 + 0.0096\\*VROCN1OXY1 + 0.0189\\*VROCP0OXY4 + 0.0456\\*VROCP0OXY2 + 0.0314\\*VROCP1OXY3 + 0.0199\\*VROCP1OXY1 + 0.0459\\*VROCP2OXY2 + 0.0452\\*VROCP3OXY2 + 0.0455\\*VROCP4OXY2 + 0.0325\\*VROCP5OXY1 + 0.0369\\*VROCP6OXY1 + 0.0026\\*OP3 + 0.0390\\*DCB1 + 0.0390\\*HKET + 0.0390\\*MEK + 0.0390\\*ACD + 0.0390\\*ALD + 0.0390\\*MO2 + 0.0390\\*ETHP + 0.0390\\*HC3P + 0.0390\\*MEKP + 0.0925\\*HC5P | 5.5400E-11 | 5.5400E-11 |\n| ROCOXY4c | VROCN1OXY6 + HO ----> HO + 0.2036\\*VROCN2OXY8 + 0.0071\\*VROCN2OXY4 + 0.1840\\*DCB1 + 0.1840\\*MEK + 0.1840\\*KET + 0.1840\\*ACD + 0.1840\\*ALD + 0.1840\\*MO2 + 0.1840\\*ETHP + 0.1840\\*HC3P + 0.1840\\*MEKP + 0.1840\\*HC5P | 5.6300E-11 | 5.6300E-11 |\n| ROCOXY5c | VROCN1OXY3 + HO ----> HO + 0.2792\\*VROCN2OXY8 + 0.4025\\*VROCN2OXY4 + 0.0088\\*VROCN2OXY2 + 0.0319\\*VROCN1OXY6 + 0.0076\\*VROCN1OXY3 + 0.0194\\*VROCP0OXY4 + 0.0104\\*VROCP0OXY2 + 0.0510\\*VROCP1OXY3 + 0.0075\\*VROCP1OXY1 + 0.0512\\*VROCP2OXY2 + 0.0462\\*VROCP3OXY2 + 0.0512\\*VROCP4OXY2 + 0.0138\\*VROCP5OXY1 + 0.0135\\*OP2 + 0.0646\\*DCB1 + 0.0646\\*HKET + 0.0646\\*MEK + 0.0646\\*ACD + 0.0646\\*ALD + 0.0646\\*MO2 + 0.0646\\*ETHP + 0.0646\\*HC3P + 0.0646\\*MEKP + 0.1753\\*HC5P | 5.4600E-11 | 5.4600E-11 |\n| ROCOXY6c | VROCN1OXY1 + HO ----> HO + 0.0074\\*VROCN2OXY8 + 0.1190\\*VROCN2OXY4 + 0.7261\\*VROCN2OXY2 + 0.0122\\*VROCN1OXY6 + 0.0305\\*VROCN1OXY3 + 0.0070\\*VROCN1OXY1 + 0.0291\\*VROCP0OXY4 + 0.0454\\*VROCP0OXY2 + 0.0234\\*VROCP1OXY3 + 0.0352\\*VROCP1OXY1 + 0.0624\\*VROCP2OXY2 + 0.0518\\*VROCP3OXY2 + 0.0509\\*VROCP4OXY2 + 0.0347\\*VROCP5OXY1 + 0.0748\\*VROCP6OXY1 + 0.0163\\*OP3 + 0.0062\\*OP2 + 0.0244\\*DCB1 + 0.0244\\*HKET + 0.0244\\*MEK + 0.0244\\*ACD + 0.0244\\*ALD + 0.0244\\*MO2 + 0.0244\\*ETHP + 0.0244\\*HC3P + 0.0244\\*MEKP + 0.0537\\*HC5P | 4.5000E-11 | 4.5000E-11 |\n| ROCOXY7c | VROCP0OXY4 + HO ----> HO + 0.2822\\*VROCN2OXY8 + 0.1165\\*VROCN2OXY4 + 0.0320\\*VROCN1OXY6 + 0.0183\\*VROCN1OXY3 + 0.0011\\*VROCP0OXY4 + 0.0660\\*VROCP2OXY2 + 0.0535\\*VROCP3OXY2 + 0.0246\\*VROCP4OXY2 + 0.0054\\*OP2 + 0.1068\\*DCB1 + 0.1068\\*MEK + 0.1068\\*KET + 0.1068\\*ACD + 0.1068\\*ALD + 0.1068\\*MO2 + 0.1068\\*ETHP + 0.1068\\*HC3P + 0.1068\\*MEKP + 0.1068\\*HC5P + 0.1068\\*KETP | 5.1700E-11 | 5.1700E-11 |\n| ROCOXY8c | VROCP0OXY2 + HO ----> HO + 0.0659\\*VROCN2OXY8 + 0.4579\\*VROCN2OXY4 + 0.1156\\*VROCN2OXY2 + 0.0325\\*VROCN1OXY6 + 0.0657\\*VROCN1OXY3 + 0.0046\\*VROCN1OXY1 + 0.0307\\*VROCP0OXY4 + 0.0024\\*VROCP0OXY2 + 0.0395\\*VROCP1OXY3 + 0.0215\\*VROCP1OXY1 + 0.0539\\*VROCP2OXY2 + 0.0516\\*VROCP3OXY2 + 0.0519\\*VROCP4OXY2 + 0.0371\\*VROCP5OXY1 + 0.0421\\*VROCP6OXY1 + 0.0105\\*OP3 + 0.0445\\*DCB1 + 0.0445\\*HKET + 0.0445\\*MEK + 0.0445\\*ACD + 0.0445\\*ALD + 0.0445\\*MO2 + 0.0445\\*ETHP + 0.0445\\*HC3P + 0.0445\\*MEKP + 0.1055\\*HC5P | 4.7300E-11 | 4.7300E-11 |\n| ROCOXY9c | VROCP1OXY3 + HO ----> HO + 0.1778\\*VROCN2OXY8 + 0.1924\\*VROCN2OXY4 + 0.0004\\*VROCN2OXY2 + 0.0740\\*VROCN1OXY6 + 0.0452\\*VROCN1OXY3 + 0.0631\\*VROCP0OXY4 + 0.0007\\*VROCP0OXY2 + 0.0006\\*VROCP1OXY3 + 0.0227\\*VROCP2OXY2 + 0.0585\\*VROCP3OXY2 + 0.0649\\*VROCP4OXY2 + 0.0174\\*VROCP5OXY1 + 0.0154\\*OP3 + 0.0170\\*OP2 + 0.0818\\*DCB1 + 0.0818\\*HKET + 0.0818\\*MEK + 0.0818\\*ACD + 0.0818\\*ALD + 0.0818\\*MO2 + 0.0818\\*ETHP + 0.0818\\*HC3P + 0.0818\\*MEKP + 0.2220\\*HC5P | 4.6000E-11 | 4.6000E-11 |\n| ROCOXY10c | VROCP1OXY1 + HO ----> HO + 0.0023\\*VROCN2OXY8 + 0.1340\\*VROCN2OXY4 + 0.3349\\*VROCN2OXY2 + 0.0080\\*VROCN1OXY6 + 0.1193\\*VROCN1OXY3 + 0.0758\\*VROCN1OXY1 + 0.0292\\*VROCP0OXY4 + 0.0766\\*VROCP0OXY2 + 0.0277\\*VROCP1OXY3 + 0.0118\\*VROCP1OXY1 + 0.0651\\*VROCP2OXY2 + 0.0709\\*VROCP3OXY2 + 0.0668\\*VROCP4OXY2 + 0.0423\\*VROCP5OXY1 + 0.0911\\*VROCP6OXY1 + 0.0066\\*OP3 + 0.0025\\*OP2 + 0.0297\\*DCB1 + 0.0297\\*HKET + 0.0297\\*MEK + 0.0297\\*ACD + 0.0297\\*ALD + 0.0297\\*MO2 + 0.0297\\*ETHP + 0.0297\\*HC3P + 0.0297\\*MEKP + 0.0654\\*HC5P | 3.8000E-11 | 3.8000E-11 |\n| ROCOXY11c | VROCP2OXY2 + HO ----> HO + 0.0445\\*VROCN2OXY8 + 0.1726\\*VROCN2OXY4 + 0.0104\\*VROCN2OXY2 + 0.0513\\*VROCN1OXY6 + 0.1118\\*VROCN1OXY3 + 0.0013\\*VROCN1OXY1 + 0.1337\\*VROCP0OXY4 + 0.0403\\*VROCP0OXY2 + 0.0511\\*VROCP1OXY3 + 0.0068\\*VROCP1OXY1 + 0.0236\\*VROCP2OXY2 + 0.0293\\*VROCP3OXY2 + 0.0733\\*VROCP4OXY2 + 0.0523\\*VROCP5OXY1 + 0.0595\\*VROCP6OXY1 + 0.0041\\*OP3 + 0.0023\\*OP2 + 0.0628\\*DCB1 + 0.0628\\*HKET + 0.0628\\*MEK + 0.0628\\*ACD + 0.0628\\*ALD + 0.0628\\*MO2 + 0.0628\\*ETHP + 0.0628\\*HC3P + 0.0628\\*MEKP + 0.1489\\*HC5P | 3.9300E-11 | 3.9300E-11 |\n| ROCOXY12c | VROCP3OXY2 + HO ----> HO + 0.0317\\*VROCN2OXY8 + 0.0765\\*VROCN2OXY4 + 0.0009\\*VROCN2OXY2 + 0.0526\\*VROCN1OXY6 + 0.0489\\*VROCN1OXY3 + 0.1550\\*VROCP0OXY4 + 0.0155\\*VROCP0OXY2 + 0.1051\\*VROCP1OXY3 + 0.0013\\*VROCP1OXY1 + 0.0535\\*VROCP2OXY2 + 0.0086\\*VROCP3OXY2 + 0.0426\\*VROCP4OXY2 + 0.0582\\*VROCP5OXY1 + 0.0661\\*VROCP6OXY1 + 0.0506\\*OP3 + 0.0114\\*OP2 + 0.0698\\*DCB1 + 0.0698\\*HKET + 0.0698\\*MEK + 0.0698\\*ACD + 0.0698\\*ALD + 0.0698\\*MO2 + 0.0698\\*ETHP + 0.0698\\*HC3P + 0.0698\\*MEKP + 0.1656\\*HC5P | 3.5200E-11 | 3.5200E-11 |\n| ROCOXY13c | VROCP4OXY2 + HO ----> HO + 0.0117\\*VROCN2OXY8 + 0.0167\\*VROCN2OXY4 + 0.0480\\*VROCN1OXY6 + 0.0246\\*VROCN1OXY3 + 0.0881\\*VROCP0OXY4 + 0.0916\\*VROCP1OXY3 + 0.0073\\*VROCP1OXY1 + 0.0972\\*VROCP2OXY2 + 0.0456\\*VROCP3OXY2 + 0.0024\\*VROCP4OXY2 + 0.0479\\*VROCP5OXY1 + 0.0745\\*VROCP6OXY1 + 0.0607\\*OP3 + 0.0155\\*OP2 + 0.0786\\*DCB1 + 0.0786\\*HKET + 0.0786\\*MEK + 0.0786\\*ACD + 0.0786\\*ALD + 0.0786\\*MO2 + 0.0786\\*ETHP + 0.0786\\*HC3P + 0.0786\\*MEKP + 0.1730\\*HC5P | 3.1200E-11 | 3.1200E-11 |\n| ROCOXY14c | VROCP5OXY1 + HO ----> HO + 0.0103\\*VROCN2OXY4 + 0.0006\\*VROCN2OXY2 + 0.0090\\*VROCN1OXY6 + 0.0146\\*VROCN1OXY3 + 0.0702\\*VROCP0OXY4 + 0.0153\\*VROCP0OXY2 + 0.1038\\*VROCP1OXY3 + 0.0031\\*VROCP1OXY1 + 0.1650\\*VROCP2OXY2 + 0.1566\\*VROCP3OXY2 + 0.0724\\*VROCP4OXY2 + 0.0062\\*VROCP5OXY1 + 0.1398\\*VROCP6OXY1 + 0.0216\\*OP3 + 0.0384\\*OP2 + 0.0526\\*DCB1 + 0.0526\\*HKET + 0.0526\\*MEK + 0.0526\\*ACD + 0.0526\\*ALD + 0.0526\\*MO2 + 0.0526\\*ETHP + 0.0526\\*HC3P + 0.0526\\*MEKP + 0.1280\\*HC5P | 2.4000E-11 | 2.4000E-11 |\n| ROCOXY15c | VROCP6OXY1 + HO ----> HO + 0.0061\\*VROCN1OXY6 + 0.0049\\*VROCN1OXY3 + 0.0224\\*VROCP0OXY4 + 0.0503\\*VROCP1OXY3 + 0.0022\\*VROCP1OXY1 + 0.0879\\*VROCP2OXY2 + 0.1384\\*VROCP3OXY2 + 0.1463\\*VROCP4OXY2 + 0.0432\\*VROCP5OXY1 + 0.0957\\*VROCP6OXY1 + 0.0316\\*OP3 + 0.0585\\*OP2 + 0.0571\\*DCB1 + 0.0571\\*HKET + 0.0571\\*MEK + 0.0571\\*ACD + 0.0571\\*ALD + 0.0571\\*MO2 + 0.0571\\*ETHP + 0.0571\\*HC3P + 0.0571\\*MEKP + 0.1544\\*HC5P | 2.0500E-11 | 2.0500E-11 |\n| ROCOXY16c | OP3 + HO ----> HO + 0.1188\\*VROCN2OXY8 + 0.0008\\*VROCN2OXY4 + 0.0390\\*VROCN1OXY6 + 0.0114\\*VROCP0OXY4 + 0.2266\\*DCB1 + 0.2266\\*MEK + 0.2266\\*ACD + 0.2266\\*ALD + 0.2266\\*MO2 + 0.2266\\*ETHP + 0.2266\\*HC3P + 0.2266\\*MEKP | 4.6900E-11 | 4.6900E-11 |\n| R364 | ECH4 + HO ----> MO2 | 2.45E-12e -1775.00/T | 6.3628E-15 |\n| TRP58 | ATRPNJ ----> AHOMJ + HNO3 | 9.2600E-05 | 9.2600E-05 |\n| TRP59 | AHONITJ ----> AHOMJ + HNO3 | 9.2600E-05 | 9.2600E-05 |\n| ROCARO71 | STY + HO ----> STYP | 5.8000E-11 | 5.8000E-11 |\n| ROCARO72 | STYP + HO2 ----> VROCP3OXY2 | 2.91E-12e 1300.00/T | 2.2778E-10 |\n| ROCARO73 | STYP + NO ----> NO2 + HO2 + HCHO + BALD | 2.70E-12e 360.00/T | 9.0313E-12 |\n| ROCARO74 | STYP + NO3 ----> NO2 + HO2 + HCHO + BALD | 2.3000E-12 | 2.3000E-12 |\n| ROCARO75 | STYP + MO2 ----> 1.3700\\*HO2 + 1.6800\\*HCHO + BALD + 0.3200\\*MOH | 2.5000E-13 | 2.5000E-13 |\n| ROCARO76 | STYP + ACO3 ----> HO2 + HCHO + BALD + 0.7000\\*MO2 + 0.3000\\*ORA2 | 2.5000E-13 | 2.5000E-13 |\n\n0Units molecules/(sec*cm3); Value at 298.15 K; 2.4615E+19 molecules/cm3; 1.00 Atm. \n1Photolysis Reaction;depends on radiation and predicted concentrations \n2Heterogeneous Reaction; depends on predicted concentrations \n4Set to zero if sun is below the horizon. SEAWATER equals fraction of ocean plus surf zones not covered by seaice. P equals air pressure in atmospheres. \n8Rate constant scaled as reverse equilibrium to constant for listed reaction \n" }, { "path": "CCTM/src/MECHS/mechanism_information/racm2_ae6_aq/AE6_species_table.md", "content": "**The AE namelist for racm2_ae6_aq has the following aerosol species.**\n\n| **Model Species** | **Name** | **Molecular Weight** | **Explicit or Lumped** |\n|-----------|-----------------------------------------------------|--------------------| ----------------------|\n| AAL | Aluminum | 27 | E |\n| AALK1 | Semivolaitle SOA Product from Alkane VOCs | 225.0 | L |\n| AALK2 | Semivolatile SOA Product from Alkane VOCs | 205.1 | L |\n| ABNZ1 | Semivolatile High-NOx SOA Product from Benzene | 161.0 | L |\n| ABNZ2 | Semivolatile High-NOx SOA Product from Benzene | 134.0 | L |\n| ABNZ3 | Low-Volatility Low-NOx SOA Product from Benzene | 180.0 | L |\n| ACA | Calcium | 40.1 | E |\n| ACL | Chloride | 35.5 | E |\n| ACORS | Anthropogenic Coarse-mode particle mass | 100.0 | L |\n| AEC | Elemental Carbon | 12 | E |\n| AFE | Iron | 55.8 | E |\n| AH2O | Water | 18 | E |\n| AH3OP | Hydronium Ion | 19 | E |\n| AISO1 | Semivolatile SOA Product from Isoprene | 132.0 | L |\n| AISO2 | High-Volatility SOA Product from Isoprene | 133.0 | L |\n| AISO3 | Acid-Catalyzed Isoprene SOA compounds | 168.2 | L |\n| AIVPO1 | Intermediate Volatility Primary Organic Compounds | 266 | L |\n| AK | Potassium | 39.1 | E |\n| ALVOO1 | Low Volatility Oxidized Combustion Organic Compounds | 136 | L |\n| ALVOO2 | Low Volatility Oxidized Combustion Organic Compounds | 136 | L |\n| ALVPO1 | Low Volatility Primary Organic Compounds | 218 | L |\n| AMG | Magnesium | 24.3 | E |\n| AMN | Manganese | 54.9 | E |\n| ANA | Sodium | 23 | E |\n| ANH4 | Ammonium | 18 | E |\n| ANO3 | Nitrate | 62 | E |\n| AOLGA | Oligomer products of anthropogenic SOA compounds | 206.0 | L |\n| AOLGB | Oligomer products of biogenic SOA compounds | 248.0 | L |\n| AORGC | Glyoxal and Methylglyoxal SOA | 177.0 | L |\n| AOTHR | Other Particulate Mass | 200 | L |\n| APAH1 | Semivolatile High-NOx SOA Product from PAHs | 195.6 | L |\n| APAH2 | Semivolatile High-NOx SOA Product from PAHs | 178.7 | L |\n| APAH3 | Low-Volatility Low-NOx SOA Product from PAHs | 212.2 | L |\n| APCSO | Potential Combustion SOA | 170 | L |\n| APNCOM | Non-Carbon Organic Matter associated with APOC | 220.0 | L |\n| APOC | Primary Organic Carbon | 220.0 | L |\n| ASEACAT | Sea spray cations | 23.75 | L |\n| ASI | Silicon | 28.1 | E |\n| ASO4 | Sulfate | 96 | E |\n| ASOIL | Lumped crustal species | 100.0 | L |\n| ASQT | Semivolatile SOA Product from Sesquiterpenes | 273.0 | L |\n| ASVOO1 | Semivolatile Oxidized Combustion Organic Compounds | 135 | L |\n| ASVOO2 | Semivolatile Oxidized Combustion Organic Compounds | 135 | L |\n| ASVOO3 | Semivolatile Oxidized Combustion Organic Compounds | 134 | L |\n| ASVPO1 | Semivolatile Primary Organic Compounds | 230 | L |\n| ASVPO2 | Semivolatile Primary Organic Compounds | 241 | L |\n| ASVPO3 | Semivolatile Primary Organic Compounds | 253 | L |\n| ATI | Titanium | 47.9 | E |\n| ATOL1 | Semivolatile High-NOx SOA Product from Toluene | 163.0 | L |\n| ATOL2 | Semivolaitle High-NOx SOA Product from Toluene | 175.0 | L |\n| ATOL3 | Low-Volatility Low-NOx SOA Product from Toluene | 194.0 | L |\n| ATRP1 | Semivolatile SOA Product from Monoterpenes | 177.0 | L |\n| ATRP2 | High-Volatility SOA Product from Monoterpenes | 198.0 | L |\n| AXYL1 | Semivolatile High-NOx SOA Product from Xylene | 174.0 | L |\n| AXYL2 | Semivolaitle High-NOx SOA Product from Xylene | 185.0 | L |\n| AXYL3 | Low-Volatility Low-NOx SOA Product from Xylene | 218.0 | L |\n| NUMACC | Accum. Mode Number Conc | NA | NA |\n| NUMAIT | Aitken Mode Number Conc | NA | NA |\n| NUMCOR | Coarse Mode Number Conc | NA | NA |\n| SRFACC | Accum. Mode Surface Area Conc | NA | NA |\n| SRFAIT | Aitken Mode Surface Area Conc | NA | NA |\n| SRFCOR | Coarse Mode Surface Area Conc | NA | NA |\n\nNote that for each aerosol mass species, a letter will be appended to the names below in order to designate the size, or mode, of the aerosol being represented: I = Aitken mode, J = Accumulation mode, K = Coarse mode. \n" }, { "path": "CCTM/src/MECHS/mechanism_information/racm2_ae6_aq/NR_species_table.md", "content": "**The NR namelist for racm2_ae6_aq has the following gas phase species.**\n\n| **Model Species** | **Name** | **Molecular Weight** | **Explicit or Lumped** |\n| ----------------- | ---------------------------------------------------- | -------------------- | ---------------------- |\n| LVPCSOG | surrogate SOA precursor gas for combustion/anthropogenic sources | 170.0 | L | \n| NH3 | ammonia | 17.0 | E | \n| SVALK1 | vapors of secondary aerosol material from alkane VOCs | 225.0 | L | \n| SVALK2 | vapors of secondary aerosol material from alkane VOCs | 205.1 | L | \n| SVXYL1 | vapors of secondary aerosol material from xylenes | 174.0 | L | \n| SVXYL2 | vapors of secondary aerosol material from xylenes | 185.0 | L | \n| SVTOL1 | vapors of secondary aerosol material from toluene | 163.0 | L | \n| SVTOL2 | vapors of secondary aerosol material from toluene | 175.0 | L | \n| SVBNZ1 | vapors of secondary aerosol material from benzene | 161.0 | L | \n| SVBNZ2 | vapors of secondary aerosol material from benzene | 134.0 | L | \n| SVPAH1 | vapors of secondary aerosol material from PAHs | 195.6 | L | \n| SVPAH2 | vapors of secondary aerosol material from PAHs | 178.7 | L | \n| SVTRP1 | vapors of secondary aerosol material from monoterpenes | 177.0 | L | \n| SVTRP2 | vapors of secondary aerosol material from monoterpenes | 198.0 | L | \n| SVISO1 | vapors of secondary aerosol material from isoprene | 132.0 | L | \n| SVISO2 | vapors of secondary aerosol material from isoprene | 133.0 | L | \n| SVSQT | vapors of secondary aerosol material from sesquiterpenes | 273.0 | L | \n" }, { "path": "CCTM/src/MECHS/mechanism_information/racm2_ae6_aq/mech_racm2_ae6_aq.md", "content": "Information is based on the mech.def file.\n* Fall-off or pressure dependent reaction rate constants (M equals air number density):\n * For rate constants with ko, ki, n, F values: k = [ koM/(1+koM/ki)]FG, where G=(1+(log10(koM/ki)/n)2))-1 \n * For rate constants with k1, k2: k = k1 + k2M\n * For rate constants with k0, k2, k3: k = k0 + k3M/(1+k3M/k2)\n * For rate constants with k1, k2, k3: k = k1 + k2M + k3 \n\n* For rate constants with the form A<_Reference_>, k equals A times a reference that represents photolysis rate, a heteorogeneous rate constant, rate constant for the given reaction or an operator. A equals one if not given.\n\n* In the mechanism definition file, the rate is formatted as\n * A~<_HETEOROGENEOUS_>\n * A*K<_REACTION_>\n * A/<_PHOTOLYSIS_>\n * A?<_OPERATOR_>\n\n|Label|Reaction |Rate Constant Formula| Value
molecules/(sec*cm3)| \n|:---|:-------------------|:--------------------|:----:| \n| R001 | O3 ----> O3P | O3O3P_NASA06 | Not Available1 | \n| R002 | O3 ----> O1D | O3O1D_NASA06 | Not Available1 | \n| R003 | H2O2 ----> 2.000\\*HO | H2O2_RACM2 | Not Available1 | \n| R004 | NO2 ----> O3P + NO | NO2_RACM2 | Not Available1 | \n| R005 | NO3 ----> NO | NO3NO_RACM2 | Not Available1 | \n| R006 | NO3 ----> O3P + NO2 | NO3NO2_RACM2 | Not Available1 | \n| R007 | HONO ----> HO + NO | HONO_RACM2 | Not Available1 | \n| R008 | HNO3 ----> HO + NO2 | HNO3_RACM2 | Not Available1 | \n| R009 | HNO4 ----> 0.200\\*HO + 0.800\\*HO2 + 0.800\\*NO2 + 0.200\\*NO3 | HNO4_RACM2 | Not Available1 | \n| R010 | HCHO ----> CO | HCHO_MOL_JPL19 | Not Available1 | \n| R011 | HCHO ----> 2.000\\*HO2 + CO | HCHO_RAD_JPL19 | Not Available1 | \n| R012 | ACD ----> HO2 + MO2 + CO | CH3CHO_RACM2 | Not Available1 | \n| R013 | ALD ----> HO2 + ETHP + CO | ALD_RACM2 | Not Available1 | \n| R014 | ACT ----> MO2 + ACO3 | CH3COCH3_RACM2 | Not Available1 | \n| R015 | UALD ----> 1.220\\*HO2 + 0.784\\*ACO3 + 1.220\\*CO + 0.350\\*HCHO + 0.434\\*ALD + 0.216\\*KET | UALD_RACM2 | Not Available1 | \n| R016 | MEK ----> 0.500\\*MO2 + 0.500\\*ETHP + ACO3 | MEK_RACM2 | Not Available1 | \n| R017 | KET ----> ETHP + ACO3 | KET_RACM2 | Not Available1 | \n| R018 | HKET ----> HO2 + ACO3 + HCHO | HKET_RACM2 | Not Available1 | \n| R019 | MACR ----> 0.340\\*HO + 0.660\\*HO2 + 0.670\\*ACO3 + 0.330\\*MACP + 0.340\\*XO2 + 0.670\\*CO + 0.670\\*HCHO | MACR_RACM2 | Not Available1 | \n| R020 | MVK ----> 0.300\\*MO2 + 0.300\\*MACP + 0.700\\*CO + 0.700\\*UALD | MVK_RACM2 | Not Available1 | \n| R021 | GLY ----> 2.000\\*CO | GLYH2_RACM2 | Not Available1 | \n| R022 | GLY ----> HCHO + CO | GLYF_RACM2 | Not Available1 | \n| R023 | GLY ----> 2.000\\*HO2 + 2.000\\*CO | GLYHX_RACM2 | Not Available1 | \n| R024 | MGLY ----> HO2 + ACO3 + CO | MGLY_RACM2 | Not Available1 | \n| R025 | DCB1 ----> 1.500\\*HO2 + 0.250\\*ACO3 + 0.200\\*XO2 + CO + 0.500\\*GLY + 0.500\\*MGLY | MGLY_RACM2 | Not Available1 | \n| R026 | DCB2 ----> 1.500\\*HO2 + 0.250\\*ACO3 + 0.200\\*XO2 + CO + 0.500\\*GLY + 0.500\\*MGLY | MGLY_RACM2 | Not Available1 | \n| R027 | BALD ----> CHO + HO2 + CO | BALD_RACM2 | Not Available1 | \n| R028 | OP1 ----> HO + HO2 + HCHO | OP1_RACM2 | Not Available1 | \n| R029 | OP2 ----> HO + HO2 + ALD | OP1_RACM2 | Not Available1 | \n| R030 | PAA ----> HO + MO2 | PAA_RACM2 | Not Available1 | \n| R031 | ONIT ----> HO2 + NO2 + 0.200\\*ALD + 0.800\\*KET | ONIT_RACM2 | Not Available1 | \n| R032 | PAN ----> ACO3 + NO2 | PAN1_RACM2 | Not Available1 | \n| R033 | PAN ----> MO2 + NO3 | PAN2_RACM2 | Not Available1 | \n| R034 | O3 + HO ----> HO2 | 1.70E-12e -940.00/T | 7.2647E-14 |\n| R035 | O3 + HO2 ----> HO | 1.00E-14e -490.00/T | 1.9331E-15 |\n| R036 | O3 + NO ----> NO2 | 1.40E-12e -1310.00/T | 1.7296E-14 |\n| R037 | O3 + NO2 ----> NO3 | 1.40E-13e -2470.00/T | 3.5339E-17 |\n| R038 | O3P + O2 + M ----> O3 | 5.74E-34(T/300) -2.60 | 5.8331E-34 |\n| R039 | O3P + O3 ----> | 8.00E-12e -2060.00/T | 7.9879E-15 |\n| R040 | O1D + O2 ----> O3P | 3.30E-11e 67.00/T | 4.1315E-11 |\n| R041 | O1D + N2 ----> O3P | 2.00E-11e 130.00/T | 3.0931E-11 |\n| R042 | O1D + H2O ----> 2.000\\*HO | 2.1400E-10 | 2.1400E-10 |\n| R043 | HO + H2 ----> HO2 | 7.70E-12e -2100.00/T | 6.7230E-15 |\n| R044 | HO + HO2 ----> | 4.80E-11e 250.00/T | 1.1102E-10 |\n| R045 | HO2 + HO2 ----> H2O2 | k0= 2.20E-13e 600.0/T
k1= 1.90E-33e 980.0/T | 2.8975E-12 |\n| R046 | HO2 + HO2 + H2O ----> H2O2 | k0= 3.08E-34e 2800.0/T
k1= 2.59E-54e 3180.0/T | 6.4234E-30 |\n| R047 | H2O2 + HO ----> HO2 | 2.90E-12e -160.00/T | 1.6957E-12 |\n| R048 | NO + O3P ----> NO2 | ko= 9.00E-32e 0.0/T(T/300) -1.50
ki = 3.00E-11e 0.0/T(T/300) 0.00
n= 1.00;F= 0.60 | 1.6618E-12 |\n| R049 | NO + HO ----> HONO | ko= 7.00E-31e 0.0/T(T/300) -2.60
ki = 3.60E-11e 0.0/T(T/300) -0.10
n= 1.00;F= 0.60 | 7.3998E-12 |\n| R050 | NO + HO2 ----> NO2 + HO | 3.45E-12e 270.00/T | 8.5332E-12 |\n| R051 | NO + HO2 ----> HNO3 | k0= 6.0950E-14e 270.0/T(T/300) -1.00
k2= 6.8570E-34e 270.0/T(T/300) 1.00
k3= -5.9680E-14e 270.00/T | 4.5566E-14 |\n| R052 | NO + NO + O2 ----> 2.000\\*NO2 | 3.30E-39e 530.00/T | 1.9522E-38 |\n| R053 | HONO + HO ----> NO2 | 2.50E-12e 260.00/T | 5.9795E-12 |\n| R054 | NO2 + O3P ----> NO | 5.50E-12e 188.00/T | 1.0333E-11 |\n| R055 | NO2 + O3P ----> NO3 | ko= 2.50E-31e 0.0/T(T/300) -1.80
ki = 2.20E-11e 0.0/T(T/300) -0.70
n= 1.00;F= 0.60 | 3.2805E-12 |\n| R056 | NO2 + HO ----> HNO3 | ko= 1.51E-30e 0.0/T(T/300) -3.00
ki = 2.58E-11e 0.0/T(T/300) 0.00
n= 1.00;F= 0.60 | 9.3347E-12 |\n| R057 | HNO3 + HO ----> NO3 | k0= 2.40E-14e 460.0/T
k1= 2.70E-17e 2199.0/T
k3= 6.50E-34e 1335.0/T | 1.5409E-13 |\n| R058 | NO3 + HO ----> HO2 + NO2 | 2.0000E-11 | 2.0000E-11 |\n| R059 | NO3 + HO2 ----> 0.700\\*HO + 0.700\\*NO2 + 0.300\\*HNO3 | 4.0000E-12 | 4.0000E-12 |\n| R060 | NO3 + NO ----> 2.000\\*NO2 | 1.80E-11e 110.00/T | 2.6032E-11 |\n| R061 | NO3 + NO2 ----> NO + NO2 | 4.50E-14e -1260.00/T | 6.5744E-16 |\n| R062 | NO3 + NO3 ----> 2.000\\*NO2 | 8.50E-13e -2450.00/T | 2.2944E-16 |\n| R063 | NO3 + NO2 ----> N2O5 | ko= 2.00E-30e 0.0/T(T/300) -4.40
ki = 1.40E-12e 0.0/T(T/300) -0.70
n= 1.00;F= 0.60 | 1.1783E-12 |\n| R064 | N2O5 ----> NO2 + NO3 | 3.70E+26e-11000.00/T \\*R063 | 4.1396E-028| \n| R065 | N2O5 + H2O ----> 2.000\\*HNO3 | 1.0000E-22 | 1.0000E-22 |\n| R066 | NO2 + HO2 ----> HNO4 | ko= 2.00E-31e 0.0/T(T/300) -3.40
ki = 2.90E-12e 0.0/T(T/300) -1.10
n= 1.00;F= 0.60 | 1.1385E-12 |\n| R067 | HNO4 ----> HO2 + NO2 | 4.76E+26e-10900.00/T \\*R066 | 7.1920E-028| \n| R068 | HNO4 + HO ----> NO2 | 1.30E-12e 380.00/T | 4.6501E-12 |\n| R069 | SO2 + HO ----> HO2 + SULF + SULRXN | ko= 3.30E-31e 0.0/T(T/300) -4.30
ki = 1.60E-12e 0.0/T(T/300) 0.00
n= 1.00;F= 0.60 | 9.5810E-13 |\n| R070 | CO + HO ----> HO2 | k0= 1.44E-13e 0.0/T
k1= 2.88E-33e 0.0/T | 2.1489E-13 |\n| R071 | HO + CH4 ----> MO2 | 1.85E-12e -1690.00/T | 6.3895E-15 |\n| R072 | ETH + HO ----> ETHP | 6.90E-12e -1000.00/T | 2.4111E-13 |\n| R073 | HC3 + HO ----> HC3P | 7.68E-12e -370.00/T | 2.2203E-12 |\n| R074 | HC5 + HO ----> HC5P | 1.01E-11e -245.00/T | 4.4407E-12 |\n| R075 | HC8 + HO ----> 0.049\\*HO2 + 0.951\\*HC8P + 0.025\\*ALD + 0.024\\*HKET | 2.82E-11e -273.00/T | 1.1287E-11 |\n| R076 | ETE + HO ----> ETEP | ko= 1.00E-28e 0.0/T(T/300) -4.50
ki = 8.80E-12e 0.0/T(T/300) -0.85
n= 1.00;F= 0.60 | 8.1981E-12 |\n| R077 | OLT + HO ----> OLTP | 5.72E-12e 500.00/T | 3.0599E-11 |\n| R078 | OLI + HO ----> OLIP | 1.33E-11e 500.00/T | 7.1149E-11 |\n| R079 | DIEN + HO ----> OLIP | 1.48E-11e 448.00/T | 6.6502E-11 |\n| R080 | ACE + HO ----> 0.650\\*HO + 0.350\\*HO2 + 0.350\\*CO + 0.650\\*GLY + 0.350\\*ORA1 | ko= 5.50E-30e 0.0/T(T/300) 0.00
ki = 8.30E-13e 0.0/T(T/300) 2.00
n= 1.00;F= 0.60 | 7.4748E-13 |\n| R081 | BENZENE + HO ----> 0.648\\*HO2 + 0.352\\*BENP + 0.118\\*EPX + 0.530\\*PHEN + BENZRO2 | 2.33E-12e -193.00/T | 1.2196E-12 |\n| R082 | TOL + HO ----> 0.177\\*HO2 + 0.763\\*TR2 + 0.060\\*TLP1 + 0.177\\*CSL + TOLRO2 | 1.81E-12e 354.00/T | 5.9337E-12 |\n| R083 | XYM + HO ----> 0.177\\*HO2 + 0.763\\*XY2 + 0.060\\*XYL1 + 0.177\\*CSL + 0.980\\*XYLRO2 | 2.3100E-11 | 2.3100E-11 |\n| R084 | XYP + HO ----> 0.177\\*HO2 + 0.763\\*XY2 + 0.060\\*XYL1 + 0.177\\*CSL + XYLRO2 | 1.4300E-11 | 1.4300E-11 |\n| R085 | XYO + HO ----> 0.177\\*HO2 + 0.763\\*XYO2 + 0.060\\*XYL1 + 0.177\\*CSL + XYLRO2 | 1.3600E-11 | 1.3600E-11 |\n| R086 | ISO + HO ----> ISOP + ISOPRXN | 2.70E-11e 390.00/T | 9.9873E-11 |\n| R087 | API + HO ----> APIP + TRPRXN | 1.21E-11e 440.00/T | 5.2930E-11 |\n| R088 | LIM + HO ----> LIMP + TRPRXN | 4.20E-11e 401.00/T | 1.6120E-10 |\n| R089 | HCHO + HO ----> HO2 + CO | 5.50E-12e 125.00/T | 8.3645E-12 |\n| R090 | ACD + HO ----> ACO3 | 4.70E-12e 345.00/T | 1.4950E-11 |\n| R091 | ALD + HO ----> RCO3 | 4.90E-12e 405.00/T | 1.9060E-11 |\n| R092 | ACT + HO ----> ACTP | 4.56E-14e -427.00/T(T/300) 3.65 | 1.0646E-14 |\n| R093 | MEK + HO ----> MEKP | 1.50E-12e -90.00/T | 1.1092E-12 |\n| R094 | KET + HO ----> KETP | 2.80E-12e 10.00/T | 2.8955E-12 |\n| R095 | HKET + HO ----> HO2 + MGLY | 3.0000E-12 | 3.0000E-12 |\n| R096 | MACR + HO ----> 0.570\\*MACP + 0.430\\*MCP | 8.00E-12e 380.00/T | 2.8616E-11 |\n| R097 | MVK + HO ----> MVKP | 2.60E-12e 610.00/T | 2.0115E-11 |\n| R098 | UALD + HO ----> 0.313\\*ACO3 + 0.687\\*UALP | 5.77E-12e 533.00/T | 3.4479E-11 |\n| R099 | GLY + HO ----> HO2 + 2.000\\*CO | 1.1000E-11 | 1.1000E-11 |\n| R100 | MGLY + HO ----> ACO3 + CO | 9.26E-13e 830.00/T | 1.4984E-11 |\n| R101 | DCB1 + HO ----> 0.520\\*HO2 + 0.330\\*CO + 0.400\\*ALD + 0.780\\*KET + 0.100\\*GLY + 0.010\\*MGLY | 2.80E-11e 175.00/T | 5.0358E-11 |\n| R102 | DCB2 + HO ----> 0.520\\*HO2 + 0.330\\*CO + 0.130\\*MEK + 0.100\\*GLY + 0.010\\*MGLY + 0.780\\*OP2 | 2.80E-11e 175.00/T | 5.0358E-11 |\n| R103 | DCB3 + HO ----> 0.560\\*HO2 + 0.210\\*MACP + 0.110\\*CO + 0.270\\*GLY + 0.010\\*MGLY + 0.790\\*OP2 | 1.0000E-11 | 1.0000E-11 |\n| R104 | BALD + HO ----> BALP | 5.32E-12e 243.00/T | 1.2019E-11 |\n| R105 | PHEN + HO ----> 0.730\\*HO2 + 0.200\\*ADDC + 0.070\\*CHO + 0.730\\*MCT | 6.75E-12e 405.00/T | 2.6257E-11 |\n| R106 | CSL + HO ----> 0.730\\*HO2 + 0.200\\*ADDC + 0.070\\*CHO + 0.730\\*MCT | 4.65E-11e 0.00/T | 4.6500E-11 |\n| R107 | EPX + HO ----> HO2 + XO2 + CO + ALD | 2.80E-11e 175.00/T | 5.0358E-11 |\n| R108 | MCT + HO ----> MCTO | 2.05E-10e 0.00/T | 2.0500E-10 |\n| R109 | MOH + HO ----> HO2 + HCHO | 2.85E-12e -345.00/T | 8.9600E-13 |\n| R110 | EOH + HO ----> HO2 + ACD | 3.00E-12e 20.00/T | 3.2081E-12 |\n| R111 | ROH + HO ----> HO2 + 0.719\\*ALD + 0.184\\*ACD | 2.60E-12e 200.00/T | 5.0851E-12 |\n| R112 | ETEG + HO ----> HO2 + ALD | 1.4700E-11 | 1.4700E-11 |\n| R113 | OP1 + HO ----> 0.350\\*HO + 0.650\\*MO2 + 0.350\\*HCHO | 2.90E-12e 190.00/T | 5.4848E-12 |\n| R114 | OP2 + HO ----> 0.010\\*HO + 0.440\\*HC3P + 0.070\\*XO2 + 0.080\\*ALD + 0.410\\*KET | 3.40E-12e 190.00/T | 6.4304E-12 |\n| R115 | ISHP + HO ----> HO + MACR + 0.904\\*IEPOX | 1.0000E-10 | 1.0000E-10 |\n| R116 | MAHP + HO ----> MACP | 3.0000E-11 | 3.0000E-11 |\n| R117 | ORA1 + HO ----> HO2 | 4.5000E-13 | 4.5000E-13 |\n| R118 | ORA2 + HO ----> 0.640\\*MO2 + 0.360\\*ORAP | 4.00E-14e 850.00/T | 6.9214E-13 |\n| R119 | PAA + HO ----> 0.350\\*HO + 0.650\\*ACO3 + 0.350\\*XO2 + 0.350\\*HCHO | 2.93E-12e 190.00/T | 5.5415E-12 |\n| R120 | PAN + HO ----> XO2 + NO3 + HCHO | 4.0000E-14 | 4.0000E-14 |\n| R121 | PPN + HO ----> XO2 + NO3 + HCHO | 4.0000E-14 | 4.0000E-14 |\n| R122 | MPAN + HO ----> NO2 + HKET | 3.2000E-11 | 3.2000E-11 |\n| R123 | ONIT + HO ----> HC3P + NO2 | 5.31E-12e -260.00/T | 2.2201E-12 |\n| R124 | NALD + HO ----> NO2 + XO2 + HKET | 5.60E-12e 270.00/T | 1.3851E-11 |\n| R125 | ISON + HO ----> NALD + 0.070\\*HKET + 0.070\\*HCHO | 1.3000E-11 | 1.3000E-11 |\n| R126 | ETE + O3 ----> 0.080\\*HO + 0.150\\*HO2 + 0.430\\*CO + HCHO + 0.370\\*ORA1 | 9.14E-15e -2580.00/T | 1.5953E-18 |\n| R127 | OLT + O3 ----> 0.220\\*HO + 0.320\\*HO2 + 0.080\\*MO2 + 0.060\\*ETHP + 0.040\\*HC3P + 0.020\\*HC5P + 0.068\\*H2O2 + 0.430\\*CO + 0.020\\*ETH + 0.015\\*HC3 + 0.006\\*HC5 + 0.032\\*BENZENE + 0.560\\*HCHO + 0.010\\*ACD + 0.440\\*ALD + 0.030\\*ACT + 0.020\\*BALD + 0.060\\*MEK + 0.010\\*HKET + 0.030\\*ORA1 + 0.060\\*ORA2 | 4.33E-15e -1800.00/T | 1.0341E-17 |\n| R128 | OLI + O3 ----> 0.460\\*HO + 0.070\\*HO2 + 0.320\\*MO2 + 0.070\\*ETHP + 0.040\\*HC3P + 0.090\\*ACO3 + 0.370\\*CO + 0.026\\*H2O2 + 0.010\\*ETH + 0.010\\*HC3 + 0.090\\*HCHO + 0.457\\*ACD + 0.730\\*ALD + 0.110\\*ACT + 0.017\\*KET + 0.044\\*HKET + 0.017\\*ORA2 | 4.40E-15e -845.00/T | 2.5858E-16 |\n| R129 | DIEN + O3 ----> 0.090\\*O3P + 0.280\\*HO + 0.300\\*HO2 + 0.030\\*MO2 + 0.150\\*ACO3 + 0.020\\*KETP + 0.130\\*XO2 + 0.001\\*H2O2 + 0.360\\*CO + 0.350\\*OLT + 0.900\\*HCHO + 0.390\\*MACR + 0.150\\*ORA1 | 1.34E-14e -2283.00/T | 6.3331E-18 |\n| R130 | ISO + O3 ----> 0.250\\*HO + 0.250\\*HO2 + 0.080\\*MO2 + 0.100\\*ACO3 + 0.100\\*MACP + 0.090\\*H2O2 + 0.140\\*CO + 0.580\\*HCHO + 0.461\\*MACR + 0.189\\*MVK + 0.280\\*ORA1 + 0.153\\*OLT | 7.86E-15e -1913.00/T | 1.2850E-17 |\n| R131 | API + O3 ----> 0.850\\*HO + 0.100\\*HO2 + 0.200\\*ETHP + 0.420\\*KETP + 0.020\\*H2O2 + 0.140\\*CO + 0.650\\*ALD + 0.530\\*KET + TRPRXN | 5.00E-16e -530.00/T | 8.4519E-17 |\n| R132 | LIM + O3 ----> 0.850\\*HO + 0.100\\*HO2 + 0.160\\*ETHP + 0.420\\*KETP + 0.020\\*H2O2 + 0.140\\*CO + 0.460\\*OLT + 0.040\\*HCHO + 0.790\\*MACR + 0.010\\*ORA1 + 0.070\\*ORA2 + TRPRXN | 2.95E-15e -783.00/T | 2.1344E-16 |\n| R133 | MACR + O3 ----> 0.190\\*HO + 0.140\\*HO2 + 0.100\\*ACO3 + 0.220\\*CO + 0.500\\*MGLY + 0.450\\*ORA1 | 1.36E-15e -2112.00/T | 1.1406E-18 |\n| R134 | MVK + O3 ----> 0.160\\*HO + 0.110\\*HO2 + 0.280\\*ACO3 + 0.010\\*XO2 + 0.560\\*CO + 0.100\\*HCHO + 0.540\\*MGLY + 0.070\\*ORA1 + 0.070\\*ORA2 + 0.100\\*ALD | 8.50E-16e -1520.00/T | 5.1921E-18 |\n| R135 | UALD + O3 ----> 0.100\\*HO + 0.072\\*HO2 + 0.008\\*MO2 + 0.002\\*ACO3 + 0.100\\*XO2 + 0.243\\*CO + 0.080\\*HCHO + 0.420\\*ACD + 0.028\\*KET + 0.491\\*GLY + 0.003\\*MGLY + 0.044\\*ORA1 | 1.6600E-18 | 1.6600E-18 |\n| R136 | DCB1 + O3 ----> 0.050\\*HO + HO2 + 0.600\\*RCO3 + 0.600\\*XO2 + 1.500\\*CO + 0.050\\*HCHO + 0.050\\*GLY + 0.080\\*MGLY + 0.650\\*OP2 | 2.0000E-16 | 2.0000E-16 |\n| R137 | DCB2 + O3 ----> 0.050\\*HO + HO2 + 0.600\\*RCO3 + 0.600\\*XO2 + 1.500\\*CO + 0.050\\*HCHO + 0.050\\*GLY + 0.080\\*MGLY + 0.700\\*DCB1 + 0.650\\*OP2 | 2.0000E-16 | 2.0000E-16 |\n| R138 | DCB3 + O3 ----> 0.050\\*HO + HO2 + 1.500\\*CO + 0.480\\*GLY + 0.700\\*DCB1 + 0.250\\*ORA1 + 0.250\\*ORA2 + 0.110\\*PAA | 9.0000E-17 | 9.0000E-17 |\n| R139 | EPX + O3 ----> 0.050\\*HO + 1.500\\*HO2 + 1.500\\*CO + 0.850\\*BALD + GLY | 5.0000E-16 | 5.0000E-16 |\n| R140 | MCTO + O3 ----> MCTP | 2.8600E-13 | 2.8600E-13 |\n| R141 | ETE + NO3 ----> 0.800\\*OLNN + 0.200\\*OLND | 4.39E-13e -2282.00/T(T/300) 2.00 | 2.0571E-16 |\n| R142 | OLT + NO3 ----> 0.430\\*OLNN + 0.570\\*OLND | 1.79E-13e -450.00/T | 3.9570E-14 |\n| R143 | OLI + NO3 ----> 0.110\\*OLNN + 0.890\\*OLND | 8.64E-13e 450.00/T | 3.9084E-12 |\n| R144 | DIEN + NO3 ----> 0.900\\*OLNN + 0.100\\*OLND + 0.900\\*MACR | 1.0000E-13 | 1.0000E-13 |\n| R145 | ISO + NO3 ----> ISON + ISOPRXN | 3.03E-12e -446.00/T | 6.7887E-13 |\n| R146 | API + NO3 ----> 0.100\\*OLNN + 0.900\\*OLND + TRPRXN | 1.19E-12e 490.00/T | 6.1560E-12 |\n| R147 | LIM + NO3 ----> 0.710\\*OLNN + 0.290\\*OLND + TRPRXN | 1.2200E-11 | 1.2200E-11 |\n| R148 | HCHO + NO3 ----> HO2 + CO + HNO3 | 2.00E-12e -2440.00/T | 5.5828E-16 |\n| R149 | ACD + NO3 ----> ACO3 + HNO3 | 1.40E-12e -1900.00/T | 2.3907E-15 |\n| R150 | ALD + NO3 ----> RCO3 + HNO3 | 3.76E-12e -1900.00/T | 6.4208E-15 |\n| R151 | MACR + NO3 ----> 0.680\\*HCHO + 0.320\\*MACP + 0.680\\*XO2 + 0.680\\*MGLY + 0.320\\*HNO3 + 0.680\\*NO2 | 3.4000E-15 | 3.4000E-15 |\n| R152 | UALD + NO3 ----> HO2 + XO2 + 0.668\\*CO + 0.332\\*HCHO + 0.332\\*ALD + ONIT | 5.02E-13e -1076.00/T | 1.3595E-14 |\n| R153 | GLY + NO3 ----> HO2 + 2.000\\*CO + HNO3 | 2.90E-12e -1900.00/T | 4.9522E-15 |\n| R154 | MGLY + NO3 ----> ACO3 + CO + HNO3 | 3.76E-12e -1900.00/T | 6.4208E-15 |\n| R155 | PHEN + NO3 ----> 0.400\\*CHO + 0.100\\*ADDC + 0.500\\*ADCN + 0.500\\*HNO3 | 3.7800E-12 | 3.7800E-12 |\n| R156 | CSL + NO3 ----> 0.400\\*CHO + 0.100\\*ADDC + 0.500\\*ADCN + 0.500\\*HNO3 | 1.0600E-12 | 1.0600E-12 |\n| R157 | EPX + NO3 ----> 0.500\\*HO + 1.500\\*HO2 + 1.500\\*CO + GLY + 0.500\\*NO2 + 0.500\\*HNO3 | 2.87E-13e -1000.00/T | 1.0029E-14 |\n| R158 | MCT + NO3 ----> MCTO + HNO3 | 2.0100E-10 | 2.0100E-10 |\n| R159 | MPAN + NO3 ----> MACP + NO2 | 2.20E-14e -500.00/T | 4.1125E-15 |\n| R160 | TR2 ----> 0.280\\*HO + 0.290\\*HO2 + 0.280\\*TOLP + 0.150\\*PER1 + 0.280\\*DCB2 + 0.010\\*CSL + 0.280\\*EPX | 1.0000E+03 | 1.0000E+03 |\n| R161 | TOLP ----> 0.490\\*HO + 0.010\\*HO2 + 0.500\\*PER1 + 0.490\\*DCB2 + 0.010\\*CSL | 1.0000E+03 | 1.0000E+03 |\n| R162 | XY2 ----> 0.158\\*HO + 0.308\\*HO2 + 0.250\\*RCO3 + 0.308\\*XYLP + 0.150\\*PER2 + 0.224\\*DCB2 + 0.010\\*CSL + 0.840\\*EPX | 1.0000E+03 | 1.0000E+03 |\n| R163 | XYLP ----> 0.390\\*HO + 0.010\\*HO2 + 0.300\\*PER2 + 0.490\\*DCB2 + 0.010\\*CSL | 1.0000E+03 | 1.0000E+03 |\n| R164 | XYO2 ----> 0.158\\*HO + 0.308\\*HO2 + 0.250\\*RCO3 + 0.150\\*PER2 + 0.308\\*XYOP + 0.224\\*DCB2 + 0.010\\*CSL + 0.840\\*EPX | 1.0000E+03 | 1.0000E+03 |\n| R165 | XYOP ----> 0.390\\*HO + 0.010\\*HO2 + 0.500\\*PER2 + 0.490\\*DCB2 + 0.010\\*CSL | 1.0000E+03 | 1.0000E+03 |\n| R166 | ACO3 + NO2 ----> PAN | ko= 9.70E-29e 0.0/T(T/300) -5.60
ki = 9.30E-12e 0.0/T(T/300) -1.50
n= 1.00;F= 0.60 | 8.6800E-12 |\n| R167 | PAN ----> ACO3 + NO2 | 1.11E+28e-14000.00/T \\*R166 | 3.9034E-048| \n| R168 | RCO3 + NO2 ----> PPN | ko= 9.70E-29e 0.0/T(T/300) -5.60
ki = 9.30E-12e 0.0/T(T/300) -1.50
n= 1.00;F= 0.60 | 8.6800E-12 |\n| R169 | PPN ----> RCO3 + NO2 | 1.11E+28e-14000.00/T \\*R168 | 3.9034E-048| \n| R170 | MACP + NO2 ----> MPAN | 2.80E-12e 181.00/T | 5.1382E-12 |\n| R171 | MPAN ----> MACP + NO2 | 1.60E+16e-13486.00/T | 3.6308E-04 |\n| R172 | MO2 + NO ----> HO2 + NO2 + HCHO | 2.80E-12e 300.00/T | 7.6586E-12 |\n| R173 | ETHP + NO ----> HO2 + NO2 + ACD | 2.60E-12e 365.00/T | 8.8439E-12 |\n| R174 | HC3P + NO ----> 0.660\\*HO2 + 0.131\\*MO2 + 0.048\\*ETHP + 0.089\\*XO2 + 0.935\\*NO2 + 0.504\\*ACD + 0.132\\*ALD + 0.165\\*ACT + 0.042\\*MEK + 0.065\\*ONIT | 4.0000E-12 | 4.0000E-12 |\n| R175 | HC5P + NO ----> 0.200\\*HO2 + 0.051\\*MO2 + 0.231\\*ETHP + 0.235\\*XO2 + 0.864\\*NO2 + 0.018\\*HCHO + 0.045\\*ACD + 0.203\\*ALD + 0.033\\*MEK + 0.217\\*ACT + 0.033\\*KET + 0.272\\*HKET + 0.136\\*ONIT | 4.0000E-12 | 4.0000E-12 |\n| R176 | HC8P + NO ----> 0.606\\*HO2 + 0.133\\*ETHP + 0.416\\*XO2 + 0.739\\*NO2 + 0.150\\*ALD + 0.642\\*KET + 0.261\\*ONIT | 4.0000E-12 | 4.0000E-12 |\n| R177 | ETEP + NO ----> HO2 + NO2 + 1.600\\*HCHO + 0.200\\*ALD | 9.0000E-12 | 9.0000E-12 |\n| R178 | OLTP + NO ----> 0.780\\*HO2 + 0.970\\*NO2 + 0.780\\*HCHO + 0.012\\*ACD + 0.440\\*ALD + 0.060\\*ACT + 0.130\\*MEK + 0.030\\*ONIT | 4.0000E-12 | 4.0000E-12 |\n| R179 | OLIP + NO ----> 0.830\\*HO2 + 0.950\\*NO2 + 0.810\\*ACD + 0.680\\*ALD + 0.200\\*ACT + 0.090\\*KET + 0.020\\*HKET + 0.050\\*ONIT | 4.0000E-12 | 4.0000E-12 |\n| R180 | BENP + NO ----> 0.918\\*HO2 + 0.918\\*NO2 + 0.459\\*DCB2 + 0.459\\*DCB3 + 0.918\\*GLY + 0.082\\*ONIT | 2.54E-12e 360.00/T | 8.4961E-12 |\n| R181 | TLP1 + NO ----> NO2 + BALD | 4.0000E-12 | 4.0000E-12 |\n| R182 | TOLP + NO ----> 0.950\\*HO2 + 0.950\\*NO2 + 0.950\\*DCB2 + 0.050\\*ONIT | 2.70E-12e 360.00/T | 9.0313E-12 |\n| R183 | PER1 + NO ----> 0.500\\*HO2 + 0.950\\*NO2 + 0.500\\*BALD + 0.500\\*MGLY + 0.500\\*DCB1 + 0.050\\*ONIT | 2.70E-12e 360.00/T | 9.0313E-12 |\n| R184 | XYL1 + NO ----> NO2 + BALD | 4.0000E-12 | 4.0000E-12 |\n| R185 | XYLP + NO ----> 0.950\\*HO2 + 0.950\\*NO2 + 0.950\\*DCB3 + 0.050\\*ONIT | 2.70E-12e 360.00/T | 9.0313E-12 |\n| R186 | PER2 + NO ----> 0.950\\*HO2 + 0.950\\*NO2 + 0.950\\*MGLY + 0.950\\*DCB1 + 1.050\\*DCB3 + 0.050\\*ONIT | 2.70E-12e 360.00/T | 9.0313E-12 |\n| R187 | XYOP + NO ----> 0.950\\*HO2 + 0.950\\*NO2 + 0.350\\*GLY + 0.600\\*MGLY + 0.700\\*DCB1 + 0.073\\*DCB2 + 0.177\\*DCB3 + 0.050\\*ONIT | 2.70E-12e 360.00/T | 9.0313E-12 |\n| R188 | ISOP + NO ----> 0.880\\*HO2 + 0.880\\*NO2 + 0.200\\*HCHO + 0.280\\*MACR + 0.440\\*MVK + 0.120\\*ISON + 0.021\\*GLY + 0.029\\*HKET + 0.027\\*ALD | 2.43E-12e 360.00/T | 8.1282E-12 |\n| R189 | APIP + NO ----> 0.820\\*HO2 + 0.820\\*NO2 + 0.230\\*HCHO + 0.430\\*ALD + 0.110\\*ACT + 0.440\\*KET + 0.070\\*ORA1 + 0.180\\*ONIT | 4.0000E-12 | 4.0000E-12 |\n| R190 | LIMP + NO ----> HO2 + 0.680\\*UALD + 0.430\\*HCHO + 0.070\\*ORA1 + NO2 + 0.050\\*OLI | 4.0000E-12 | 4.0000E-12 |\n| R191 | ACO3 + NO ----> MO2 + NO2 | 8.10E-12e 270.00/T | 2.0034E-11 |\n| R192 | RCO3 + NO ----> ETHP + NO2 | 8.10E-12e 270.00/T | 2.0034E-11 |\n| R193 | ACTP + NO ----> ACO3 + NO2 + HCHO | 2.90E-12e 300.00/T | 7.9321E-12 |\n| R194 | MEKP + NO ----> 0.670\\*HO2 + NO2 + 0.330\\*HCHO + 0.670\\*DCB1 | 4.0000E-12 | 4.0000E-12 |\n| R195 | KETP + NO ----> 0.770\\*HO2 + 0.230\\*ACO3 + 0.160\\*XO2 + NO2 + 0.460\\*ALD + 0.540\\*MGLY | 4.0000E-12 | 4.0000E-12 |\n| R196 | MACP + NO ----> 0.650\\*MO2 + 0.350\\*ACO3 + NO2 + 0.650\\*CO + 0.650\\*HCHO | 2.54E-12e 360.00/T | 8.4961E-12 |\n| R197 | MCP + NO ----> NO2 + 0.500\\*HO2 + 0.500\\*HCHO + HKET | 2.54E-12e 360.00/T | 8.4961E-12 |\n| R198 | MVKP + NO ----> 0.300\\*HO2 + 0.700\\*ACO3 + 0.700\\*XO2 + NO2 + 0.300\\*HCHO + 0.700\\*ALD + 0.300\\*MGLY | 2.54E-12e 360.00/T | 8.4961E-12 |\n| R199 | UALP + NO ----> HO2 + NO2 + 0.610\\*CO + 0.030\\*HCHO + 0.270\\*ALD + 0.180\\*GLY + 0.700\\*KET + 0.210\\*MGLY | 2.54E-12e 360.00/T | 8.4961E-12 |\n| R200 | BALP + NO ----> BAL1 + NO2 | 4.0000E-12 | 4.0000E-12 |\n| R201 | BAL1 + NO ----> BAL2 + NO2 | 4.0000E-12 | 4.0000E-12 |\n| R202 | ADDC + NO ----> HO2 + NO2 + 0.320\\*HKET + 0.680\\*GLY + 0.680\\*OP2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| R203 | MCTP + NO ----> MCTO + NO2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| R204 | ORAP + NO ----> NO2 + GLY + HO2 | 4.0000E-12 | 4.0000E-12 |\n| R205 | OLNN + NO ----> NO2 + HO2 + ONIT | 4.0000E-12 | 4.0000E-12 |\n| R206 | OLND + NO ----> 2.000\\*NO2 + 0.287\\*HCHO + 1.240\\*ALD + 0.464\\*KET | 4.0000E-12 | 4.0000E-12 |\n| R207 | ADCN + NO ----> 2.000\\*NO2 + GLY + OP2 | 2.70E-12e 360.00/T | 9.0313E-12 |\n| R208 | XO2 + NO ----> NO2 | 4.0000E-12 | 4.0000E-12 |\n| R209 | BAL2 + NO2 ----> ONIT | 2.0000E-11 | 2.0000E-11 |\n| R210 | CHO + NO2 ----> ONIT | 2.0000E-11 | 2.0000E-11 |\n| R211 | MCTO + NO2 ----> ONIT | 2.0800E-12 | 2.0800E-12 |\n| R212 | MO2 + HO2 ----> OP1 | 4.10E-13e 750.00/T | 5.0729E-12 |\n| R213 | ETHP + HO2 ----> OP2 | 7.50E-13e 700.00/T | 7.8470E-12 |\n| R214 | HC3P + HO2 ----> OP2 | 1.66E-13e 1300.00/T | 1.2994E-11 |\n| R215 | HC5P + HO2 ----> OP2 | 1.66E-13e 1300.00/T | 1.2994E-11 |\n| R216 | HC8P + HO2 ----> OP2 | 1.66E-13e 1300.00/T | 1.2994E-11 |\n| R217 | ETEP + HO2 ----> OP2 | 1.90E-13e 1300.00/T | 1.4872E-11 |\n| R218 | OLTP + HO2 ----> OP2 | 1.66E-13e 1300.00/T | 1.2994E-11 |\n| R219 | OLIP + HO2 ----> OP2 | 1.66E-13e 1300.00/T | 1.2994E-11 |\n| R220 | BENP + HO2 ----> OP2 | 2.91E-13e 1300.00/T | 2.2778E-11 |\n| R221 | TLP1 + HO2 ----> OP2 | 3.75E-13e 980.00/T | 1.0035E-11 |\n| R222 | TOLP + HO2 ----> OP2 | 3.75E-13e 980.00/T | 1.0035E-11 |\n| R223 | PER1 + HO2 ----> OP2 | 3.75E-13e 980.00/T | 1.0035E-11 |\n| R224 | XYL1 + HO2 ----> OP2 | 3.75E-13e 980.00/T | 1.0035E-11 |\n| R225 | XYLP + HO2 ----> OP2 | 3.75E-13e 980.00/T | 1.0035E-11 |\n| R226 | PER2 + HO2 ----> OP2 | 3.75E-13e 980.00/T | 1.0035E-11 |\n| R227 | XYOP + HO2 ----> OP2 | 3.75E-13e 980.00/T | 1.0035E-11 |\n| R228 | ISOP + HO2 ----> ISHP | 2.05E-13e 1300.00/T | 1.6046E-11 |\n| R229 | APIP + HO2 ----> OP2 | 1.5000E-11 | 1.5000E-11 |\n| R230 | LIMP + HO2 ----> OP2 | 1.5000E-11 | 1.5000E-11 |\n| R231 | ACO3 + HO2 ----> 0.440\\*HO + 0.440\\*MO2 + 0.150\\*ORA2 + 0.410\\*PAA | 4.30E-13e 1040.00/T | 1.4072E-11 |\n| R232 | RCO3 + HO2 ----> 0.440\\*HO + 0.440\\*ETHP + 0.150\\*ORA2 + 0.410\\*PAA | 4.30E-13e 1040.00/T | 1.4072E-11 |\n| R233 | ACTP + HO2 ----> 0.150\\*HO + 0.150\\*ACO3 + 0.150\\*HCHO + 0.850\\*OP2 | 1.15E-13e 1300.00/T | 9.0016E-12 |\n| R234 | MEKP + HO2 ----> OP2 | 1.15E-13e 1300.00/T | 9.0016E-12 |\n| R235 | KETP + HO2 ----> OP2 | 1.15E-13e 1300.00/T | 9.0016E-12 |\n| R236 | MACP + HO2 ----> MAHP | 1.82E-13e 1300.00/T | 1.4246E-11 |\n| R237 | MCP + HO2 ----> MAHP | 1.82E-13e 1300.00/T | 1.4246E-11 |\n| R238 | MVKP + HO2 ----> OP2 | 2.91E-13e 1300.00/T | 2.2778E-11 |\n| R239 | UALP + HO2 ----> OP2 | 2.91E-13e 1300.00/T | 2.2778E-11 |\n| R240 | ADDC + HO2 ----> OP2 | 3.75E-13e 980.00/T | 1.0035E-11 |\n| R241 | CHO + HO2 ----> CSL | 1.0000E-11 | 1.0000E-11 |\n| R242 | MCTP + HO2 ----> OP2 | 3.75E-13e 980.00/T | 1.0035E-11 |\n| R243 | ORAP + HO2 ----> OP2 | 1.15E-13e 1300.00/T | 9.0016E-12 |\n| R244 | OLNN + HO2 ----> ONIT | 1.66E-13e 1300.00/T | 1.2994E-11 |\n| R245 | OLND + HO2 ----> ONIT | 1.66E-13e 1300.00/T | 1.2994E-11 |\n| R246 | ADCN + HO2 ----> OP2 | 3.75E-13e 980.00/T | 1.0035E-11 |\n| R247 | XO2 + HO2 ----> OP2 | 1.66E-13e 1300.00/T | 1.2994E-11 |\n| R248 | MO2 + MO2 ----> 0.740\\*HO2 + 1.370\\*HCHO + 0.630\\*MOH | 9.50E-14e 390.00/T | 3.5141E-13 |\n| R249 | ETHP + MO2 ----> HO2 + 0.750\\*HCHO + 0.750\\*ACD + 0.250\\*MOH + 0.250\\*EOH | 1.18E-13e 158.00/T | 2.0046E-13 |\n| R250 | HC3P + MO2 ----> 0.894\\*HO2 + 0.080\\*MO2 + 0.026\\*ETHP + 0.026\\*XO2 + 0.827\\*HCHO + 0.198\\*ALD + 0.497\\*KET + 0.050\\*GLY + 0.250\\*MOH + 0.250\\*ROH | 9.46E-14e 431.00/T | 4.0151E-13 |\n| R251 | HC5P + MO2 ----> 0.842\\*HO2 + 0.018\\*MO2 + 0.140\\*ETHP + 0.191\\*XO2 + 0.777\\*HCHO + 0.251\\*ALD + 0.618\\*KET + 0.250\\*MOH + 0.250\\*ROH | 1.00E-13e 467.00/T | 4.7890E-13 |\n| R252 | HC8P + MO2 ----> 0.910\\*HO2 + 0.090\\*ETHP + 0.281\\*XO2 + 0.750\\*HCHO + 0.197\\*ALD + 0.652\\*KET + 0.250\\*MOH + 0.250\\*ROH | 4.34E-14e 633.00/T | 3.6269E-13 |\n| R253 | ETEP + MO2 ----> HO2 + 1.950\\*HCHO + 0.150\\*ALD + 0.250\\*MOH + 0.250\\*ETEG | 1.71E-13e 708.00/T | 1.8378E-12 |\n| R254 | OLTP + MO2 ----> HO2 + 1.500\\*HCHO + 0.705\\*ALD + 0.045\\*KET + 0.250\\*MOH + 0.250\\*ROH | 1.46E-13e 708.00/T | 1.5691E-12 |\n| R255 | OLIP + MO2 ----> HO2 + 0.750\\*HCHO + 1.280\\*ALD + 0.218\\*KET + 0.250\\*MOH + 0.250\\*ROH | 9.18E-14e 708.00/T | 9.8659E-13 |\n| R256 | BENP + MO2 ----> 1.600\\*HO2 + 0.459\\*DCB3 + HCHO + 0.459\\*DCB2 + 0.600\\*GLY | 3.56E-14e 708.00/T | 3.8260E-13 |\n| R257 | TLP1 + MO2 ----> HO2 + HCHO + BALD | 3.56E-14e 708.00/T | 3.8260E-13 |\n| R258 | TOLP + MO2 ----> 2.000\\*HO2 + HCHO + 0.271\\*GLY + DCB2 | 3.56E-14e 708.00/T | 3.8260E-13 |\n| R259 | PER1 + MO2 ----> 2.000\\*HO2 + HCHO + MGLY + DCB1 | 3.56E-14e 708.00/T | 3.8260E-13 |\n| R260 | XYL1 + MO2 ----> HO2 + HCHO + BALD | 3.56E-14e 708.00/T | 3.8260E-13 |\n| R261 | XYLP + MO2 ----> 2.000\\*HO2 + HCHO + DCB2 | 3.56E-14e 708.00/T | 3.8260E-13 |\n| R262 | PER2 + MO2 ----> 2.000\\*HO2 + HCHO + MGLY + DCB1 + 1.050\\*DCB3 | 3.56E-14e 708.00/T | 3.8260E-13 |\n| R263 | XYOP + MO2 ----> 2.000\\*HO2 + HCHO + 0.368\\*GLY + 0.632\\*MGLY + 0.737\\*DCB1 + 0.077\\*DCB2 + 0.186\\*DCB3 | 3.56E-14e 708.00/T | 3.8260E-13 |\n| R264 | ISOP + MO2 ----> HO2 + 1.310\\*HCHO + 0.159\\*MACR + 0.250\\*MVK + 0.250\\*MOH + 0.250\\*ROH + 0.023\\*ALD + 0.018\\*GLY + 0.016\\*HKET | 3.40E-14e 221.00/T | 7.1350E-14 |\n| R265 | APIP + MO2 ----> HO2 + 0.750\\*HCHO + 0.750\\*ALD + 0.750\\*KET + 0.250\\*MOH + 0.250\\*ROH | 3.56E-14e 708.00/T | 3.8260E-13 |\n| R266 | LIMP + MO2 ----> HO2 + 1.040\\*HCHO + 0.192\\*OLI + 0.308\\*MACR + 0.250\\*MOH + 0.250\\*ROH | 3.56E-14e 708.00/T | 3.8260E-13 |\n| R267 | ACO3 + MO2 ----> 0.900\\*HO2 + 0.900\\*MO2 + HCHO + 0.100\\*ORA2 | 2.00E-11e 500.00/T | 1.0699E-10 |\n| R268 | RCO3 + MO2 ----> 0.900\\*HO2 + 0.900\\*MO2 + HCHO + 0.100\\*ORA2 | 2.00E-11e 500.00/T | 1.0699E-10 |\n| R269 | ACTP + MO2 ----> 0.500\\*HO2 + 0.500\\*ACO3 + 1.500\\*HCHO + 0.250\\*MOH + 0.250\\*ROH + 0.125\\*ORA2 | 7.50E-13e 500.00/T | 4.0121E-12 |\n| R270 | MEKP + MO2 ----> 0.834\\*HO2 + HCHO + 0.334\\*DCB1 + 0.250\\*MOH + 0.250\\*ROH | 6.91E-13e 508.00/T | 3.7971E-12 |\n| R271 | KETP + MO2 ----> HO2 + 0.750\\*HCHO + 0.500\\*DCB1 + 0.250\\*MOH + 0.250\\*ROH | 6.91E-13e 508.00/T | 3.7971E-12 |\n| R272 | MACP + MO2 ----> 0.500\\*HO2 + 0.269\\*ACO3 + 0.500\\*CO + 1.660\\*HCHO + 0.067\\*ORA2 + 0.250\\*MO2 + 0.250\\*MOH + 0.250\\*ROH | 3.40E-14e 221.00/T | 7.1350E-14 |\n| R273 | MCP + MO2 ----> NO2 + HO2 + 1.500\\*HCHO + 0.500\\*HKET + 0.250\\*MOH + 0.250\\*ROH | 3.40E-14e 221.00/T | 7.1350E-14 |\n| R274 | MVKP + MO2 ----> HO2 + 1.160\\*ACO3 + 1.160\\*XO2 + 1.500\\*HCHO + 1.750\\*ALD + 0.500\\*MGLY + 0.250\\*MOH + 0.250\\*ROH + 0.292\\*ORA2 | 8.3700E-14 | 8.3700E-14 |\n| R275 | UALP + MO2 ----> HO2 + 0.305\\*CO + 0.773\\*HCHO + 0.203\\*ALD + 0.525\\*KET + 0.135\\*GLY + 0.105\\*MGLY + 0.250\\*MOH + 0.250\\*ROH | 3.40E-14e 221.00/T | 7.1350E-14 |\n| R276 | BALP + MO2 ----> HO2 + BAL1 + HCHO | 3.56E-14e 708.00/T | 3.8260E-13 |\n| R277 | BAL1 + MO2 ----> HO2 + BAL2 + HCHO | 3.56E-14e 708.00/T | 3.8260E-13 |\n| R278 | ADDC + MO2 ----> 2.000\\*HO2 + HCHO + 0.320\\*HKET + 0.680\\*GLY + 0.680\\*OP2 | 3.56E-14e 708.00/T | 3.8260E-13 |\n| R279 | MCTP + MO2 ----> HO2 + MCTO + HCHO | 3.56E-14e 708.00/T | 3.8260E-13 |\n| R280 | ORAP + MO2 ----> HCHO + HO2 + GLY | 7.50E-13e 500.00/T | 4.0121E-12 |\n| R281 | OLNN + MO2 ----> 2.000\\*HO2 + HCHO + ONIT | 1.60E-13e 708.00/T | 1.7195E-12 |\n| R282 | OLND + MO2 ----> 0.500\\*HO2 + 0.500\\*NO2 + 0.965\\*HCHO + 0.930\\*ALD + 0.348\\*KET + 0.250\\*MOH + 0.250\\*ROH + 0.500\\*ONIT | 9.68E-14e 708.00/T | 1.0403E-12 |\n| R283 | ADCN + MO2 ----> HO2 + 0.700\\*NO2 + HCHO + 0.700\\*GLY + 0.700\\*OP2 + 0.300\\*ONIT | 3.5600E-14 | 3.5600E-14 |\n| R284 | XO2 + MO2 ----> HO2 + HCHO | 5.99E-15e 1510.00/T | 9.4829E-13 |\n| R285 | ETHP + ACO3 ----> 0.500\\*HO2 + 0.500\\*MO2 + ACD + 0.500\\*ORA2 | 1.03E-12e 211.00/T | 2.0902E-12 |\n| R286 | HC3P + ACO3 ----> 0.394\\*HO2 + 0.580\\*MO2 + 0.026\\*ETHP + 0.026\\*XO2 + 0.130\\*HCHO + 0.273\\*ALD + 0.662\\*KET + 0.067\\*GLY + 0.500\\*ORA2 | 6.90E-13e 460.00/T | 3.2277E-12 |\n| R287 | HC5P + ACO3 ----> 0.342\\*HO2 + 0.518\\*MO2 + 0.140\\*ETHP + 0.191\\*XO2 + 0.042\\*HCHO + 0.381\\*ALD + 0.824\\*KET + 0.500\\*ORA2 | 5.59E-13e 522.00/T | 3.2194E-12 |\n| R288 | HC8P + ACO3 ----> 0.303\\*HO2 + 0.500\\*MO2 + 0.067\\*ETHP + 0.208\\*XO2 + 0.217\\*ALD + 0.642\\*KET + 0.495\\*ORA2 | 2.47E-13e 683.00/T | 2.4410E-12 |\n| R289 | ETEP + ACO3 ----> 0.500\\*HO2 + 0.500\\*MO2 + 1.600\\*HCHO + 0.200\\*ALD + 0.500\\*ORA2 | 9.48E-13e 765.00/T | 1.2335E-11 |\n| R290 | OLTP + ACO3 ----> 0.500\\*HO2 + 0.500\\*MO2 + HCHO + 0.940\\*ALD + 0.060\\*KET + 0.500\\*ORA2 | 8.11E-13e 765.00/T | 1.0552E-11 |\n| R291 | OLIP + ACO3 ----> 0.500\\*HO2 + 0.500\\*MO2 + 1.710\\*ALD + 0.290\\*KET + 0.500\\*ORA2 | 5.09E-13e 765.00/T | 6.6228E-12 |\n| R292 | BENP + ACO3 ----> 0.600\\*HO2 + MO2 + 0.459\\*DCB2 + 0.458\\*DCB3 + 0.600\\*GLY | 7.40E-13e 765.00/T | 9.6284E-12 |\n| R293 | TLP1 + ACO3 ----> MO2 + BALD | 7.40E-13e 765.00/T | 9.6284E-12 |\n| R294 | TOLP + ACO3 ----> HO2 + MO2 + DCB2 | 7.40E-13e 765.00/T | 9.6284E-12 |\n| R295 | PER1 + ACO3 ----> HO2 + MO2 + MGLY + DCB1 | 7.40E-13e 765.00/T | 9.6284E-12 |\n| R296 | XYL1 + ACO3 ----> MO2 + BALD | 7.40E-13e 765.00/T | 9.6284E-12 |\n| R297 | XYLP + ACO3 ----> HO2 + MO2 + DCB2 | 7.40E-13e 765.00/T | 9.6284E-12 |\n| R298 | PER2 + ACO3 ----> HO2 + MO2 + MGLY + DCB1 + 1.050\\*DCB3 | 7.40E-13e 765.00/T | 9.6284E-12 |\n| R299 | XYOP + ACO3 ----> HO2 + MO2 + 0.368\\*GLY + 0.632\\*MGLY + 0.737\\*DCB1 + 0.077\\*DCB2 + 0.186\\*DCB3 | 7.40E-13e 765.00/T | 9.6284E-12 |\n| R300 | ISOP + ACO3 ----> 0.500\\*HO2 + 0.500\\*MO2 + 1.048\\*HCHO + 0.219\\*MACR + 0.305\\*MVK + 0.500\\*ORA2 | 8.40E-14e 221.00/T | 1.7628E-13 |\n| R301 | APIP + ACO3 ----> 0.500\\*HO2 + 0.500\\*MO2 + ALD + KET + ORA2 | 7.40E-13e 765.00/T | 9.6284E-12 |\n| R302 | LIMP + ACO3 ----> 0.500\\*HO2 + 0.500\\*MO2 + 0.192\\*OLI + 0.385\\*HCHO + 0.308\\*MACR + 0.500\\*ORA2 | 7.40E-13e 765.00/T | 9.6284E-12 |\n| R303 | ACO3 + ACO3 ----> 2.000\\*MO2 | 2.50E-12e 500.00/T | 1.3374E-11 |\n| R304 | RCO3 + ACO3 ----> MO2 + ETHP | 2.50E-12e 500.00/T | 1.3374E-11 |\n| R305 | ACTP + ACO3 ----> 0.500\\*MO2 + 0.500\\*ACO3 + HCHO + 0.750\\*ORA2 | 7.51E-13e 565.00/T | 4.9962E-12 |\n| R306 | MEKP + ACO3 ----> 0.330\\*HO2 + 0.500\\*MO2 + 0.330\\*HCHO + 0.334\\*DCB1 + 0.500\\*ORA2 | 7.51E-13e 565.00/T | 4.9962E-12 |\n| R307 | KETP + ACO3 ----> 0.500\\*HO2 + 0.500\\*MO2 + 0.500\\*DCB1 + 0.500\\*ORA2 | 7.51E-13e 565.00/T | 4.9962E-12 |\n| R308 | MACP + ACO3 ----> 0.635\\*ORA2 + 0.500\\*MO2 + 0.269\\*ACO3 + 0.500\\*CO + HCHO | 8.40E-14e 221.00/T | 1.7628E-13 |\n| R309 | MCP + ACO3 ----> NO2 + 0.500\\*HO2 + HCHO + 0.500\\*HKET + 0.500\\*MO2 + 0.500\\*ORA2 | 8.40E-14e 221.00/T | 1.7628E-13 |\n| R310 | MVKP + ACO3 ----> 0.500\\*HO2 + 0.500\\*MO2 + 1.160\\*ACO3 + 1.160\\*XO2 + HCHO + 2.300\\*ALD + 0.500\\*MGLY + 1.083\\*ORA2 | 1.68E-12e 500.00/T | 8.9872E-12 |\n| R311 | UALP + ACO3 ----> 0.500\\*HO2 + 0.500\\*MO2 + 0.500\\*CO + 0.030\\*HCHO + 0.270\\*ALD + 0.700\\*KET + 0.180\\*GLY + 0.105\\*MGLY + 0.500\\*ORA2 | 1.68E-12e 500.00/T | 8.9872E-12 |\n| R312 | BALP + ACO3 ----> MO2 + BAL1 | 7.40E-13e 765.00/T | 9.6284E-12 |\n| R313 | BAL1 + ACO3 ----> MO2 + BAL2 | 7.40E-13e 765.00/T | 9.6284E-12 |\n| R314 | ADDC + ACO3 ----> 2.000\\*HO2 + MO2 + 0.320\\*HKET + 0.680\\*GLY + 0.680\\*OP2 | 7.40E-13e 708.00/T | 7.9529E-12 |\n| R315 | MCTP + ACO3 ----> HO2 + MO2 + MCTO | 7.40E-13e 708.00/T | 7.9529E-12 |\n| R316 | ORAP + ACO3 ----> MO2 + GLY | 7.51E-13e 565.00/T | 4.9962E-12 |\n| R317 | OLNN + ACO3 ----> HO2 + MO2 + ONIT | 8.85E-13e 765.00/T | 1.1515E-11 |\n| R318 | OLND + ACO3 ----> 0.500\\*MO2 + NO2 + 0.287\\*HCHO + 1.240\\*ALD + 0.464\\*KET + 0.500\\*ORA2 | 5.37E-13e 765.00/T | 6.9871E-12 |\n| R319 | ADCN + ACO3 ----> HO2 + MO2 + 0.700\\*NO2 + 0.700\\*GLY + 0.700\\*OP2 + 0.300\\*ONIT | 7.40E-13e 708.00/T | 7.9529E-12 |\n| R320 | XO2 + ACO3 ----> MO2 | 3.40E-14e 1560.00/T | 6.3654E-12 |\n| R321 | RCO3 + RCO3 ----> 2.000\\*ETHP | 2.50E-12e 500.00/T | 1.3374E-11 |\n| R322 | MO2 + NO3 ----> HO2 + HCHO + NO2 | 1.2000E-12 | 1.2000E-12 |\n| R323 | ETHP + NO3 ----> HO2 + NO2 + ACD | 1.2000E-12 | 1.2000E-12 |\n| R324 | HC3P + NO3 ----> 0.254\\*HO2 + 0.140\\*MO2 + 0.092\\*XO2 + 0.503\\*ETHP + NO2 + 0.519\\*ACD + 0.147\\*ALD + 0.075\\*MEK + 0.095\\*ACT | 1.2000E-12 | 1.2000E-12 |\n| R325 | HC5P + NO3 ----> 0.488\\*HO2 + 0.055\\*MO2 + 0.280\\*ETHP + 0.485\\*XO2 + NO2 + 0.024\\*HCHO + 0.241\\*ALD + 0.060\\*KET + 0.063\\*MEK + 0.247\\*ACT + 0.048\\*ACD + 0.275\\*HKET | 1.2000E-12 | 1.2000E-12 |\n| R326 | HC8P + NO3 ----> 0.820\\*HO2 + 0.180\\*ETHP + 0.563\\*XO2 + NO2 + 0.203\\*ALD + 0.869\\*KET | 1.2000E-12 | 1.2000E-12 |\n| R327 | ETEP + NO3 ----> HO2 + NO2 + 1.600\\*HCHO + 0.200\\*ALD | 1.2000E-12 | 1.2000E-12 |\n| R328 | OLTP + NO3 ----> 0.470\\*ALD + 0.790\\*HCHO + 0.790\\*HO2 + NO2 + 0.180\\*MEK + 0.020\\*ACD + 0.090\\*ACT | 1.2000E-12 | 1.2000E-12 |\n| R329 | OLIP + NO3 ----> 0.860\\*HO2 + 0.720\\*ALD + 0.110\\*KET + NO2 + 0.200\\*ACT + 0.850\\*ACD + 0.040\\*HKET | 1.2000E-12 | 1.2000E-12 |\n| R330 | BENP + NO3 ----> HO2 + NO2 + 0.500\\*DCB2 + 0.500\\*DCB3 + GLY | 1.2000E-12 | 1.2000E-12 |\n| R331 | TLP1 + NO3 ----> NO2 + BALD | 1.2000E-12 | 1.2000E-12 |\n| R332 | TOLP + NO3 ----> HO2 + NO2 + DCB2 | 1.2000E-12 | 1.2000E-12 |\n| R333 | PER1 + NO3 ----> 0.500\\*HO2 + NO2 + 0.500\\*MGLY + 0.500\\*DCB1 + 0.500\\*BALD | 1.2000E-12 | 1.2000E-12 |\n| R334 | XYL1 + NO3 ----> NO2 + BALD | 1.2000E-12 | 1.2000E-12 |\n| R335 | XYLP + NO3 ----> HO2 + NO2 + DCB3 | 1.2000E-12 | 1.2000E-12 |\n| R336 | PER2 + NO3 ----> HO2 + NO2 + MGLY + DCB1 + 1.050\\*DCB3 | 1.2000E-12 | 1.2000E-12 |\n| R337 | XYOP + NO3 ----> HO2 + NO2 + 0.368\\*GLY + 0.632\\*MGLY + 0.737\\*DCB1 + 0.077\\*DCB2 + 0.186\\*DCB3 | 1.2000E-12 | 1.2000E-12 |\n| R338 | ISOP + NO3 ----> HO2 + NO2 + 0.750\\*HCHO + 0.318\\*MACR + 0.500\\*MVK + 0.024\\*GLY + 0.033\\*HKET + 0.031\\*ALD | 1.2000E-12 | 1.2000E-12 |\n| R339 | APIP + NO3 ----> HO2 + NO2 + ALD + KET | 1.2000E-12 | 1.2000E-12 |\n| R340 | LIMP + NO3 ----> HO2 + NO2 + 0.385\\*OLI + 0.385\\*HCHO + 0.615\\*MACR | 1.2000E-12 | 1.2000E-12 |\n| R341 | ACO3 + NO3 ----> MO2 + NO2 | 4.0000E-12 | 4.0000E-12 |\n| R342 | RCO3 + NO3 ----> ETHP + NO2 | 4.0000E-12 | 4.0000E-12 |\n| R343 | ACTP + NO3 ----> ACO3 + NO2 + HCHO | 1.2000E-12 | 1.2000E-12 |\n| R344 | MEKP + NO3 ----> 0.670\\*HO2 + NO2 + 0.330\\*HCHO + 0.670\\*DCB1 | 1.2000E-12 | 1.2000E-12 |\n| R345 | KETP + NO3 ----> HO2 + NO2 + DCB1 | 1.2000E-12 | 1.2000E-12 |\n| R346 | MACP + NO3 ----> HCHO + 0.538\\*ACO3 + CO + NO2 | 1.2000E-12 | 1.2000E-12 |\n| R347 | MCP + NO3 ----> NO2 + HO2 + HCHO + HKET | 1.2000E-12 | 1.2000E-12 |\n| R348 | MVKP + NO3 ----> 0.300\\*HO2 + 0.700\\*ACO3 + 0.700\\*XO2 + NO2 + 0.300\\*HCHO + 0.700\\*ALD + 0.300\\*MGLY | 2.5000E-12 | 2.5000E-12 |\n| R349 | UALP + NO3 ----> HO2 + NO2 + 0.610\\*CO + 0.030\\*HCHO + 0.270\\*ALD + 0.700\\*KET + 0.180\\*GLY + 0.210\\*MGLY | 2.5000E-12 | 2.5000E-12 |\n| R350 | BALP + NO3 ----> BAL1 + NO2 | 2.5000E-12 | 2.5000E-12 |\n| R351 | BAL1 + NO3 ----> BAL2 + NO2 | 2.5000E-12 | 2.5000E-12 |\n| R352 | ADDC + NO3 ----> HO2 + NO2 + 0.320\\*HKET + 0.680\\*GLY + 0.680\\*OP2 | 1.2000E-12 | 1.2000E-12 |\n| R353 | MCTP + NO3 ----> NO2 + MCTO | 1.2000E-12 | 1.2000E-12 |\n| R354 | ORAP + NO3 ----> NO2 + GLY + HO2 | 1.2000E-12 | 1.2000E-12 |\n| R355 | OLNN + NO3 ----> HO2 + NO2 + ONIT | 1.2000E-12 | 1.2000E-12 |\n| R356 | OLND + NO3 ----> 2.000\\*NO2 + 0.287\\*HCHO + 1.240\\*ALD + 0.464\\*KET | 1.2000E-12 | 1.2000E-12 |\n| R357 | ADCN + NO3 ----> 2.000\\*NO2 + GLY + OP2 | 1.2000E-12 | 1.2000E-12 |\n| R358 | OLNN + OLNN ----> HO2 + 2.000\\*ONIT | 7.00E-14e 1000.00/T | 2.0032E-12 |\n| R359 | OLNN + OLND ----> 0.500\\*HO2 + 0.500\\*NO2 + 0.202\\*HCHO + 0.640\\*ALD + 0.149\\*KET + 1.500\\*ONIT | 4.25E-14e 1000.00/T | 1.2162E-12 |\n| R360 | OLND + OLND ----> NO2 + 0.504\\*HCHO + 1.210\\*ALD + 0.285\\*KET + ONIT | 2.96E-14e 1000.00/T | 8.4708E-13 |\n| R361 | XO2 + NO3 ----> NO2 | 1.2000E-12 | 1.2000E-12 |\n| R362 | XO2 + RCO3 ----> ETHP | 2.50E-12e 500.00/T | 1.3374E-11 |\n| R363 | XO2 + XO2 ----> | 7.13E-17e 2950.00/T | 1.4130E-12 |\n| SA01 | TOLRO2 + NO ----> NO + TOLNRXN | 2.70E-12e 360.00/T | 9.0313E-12 |\n| SA02 | TOLRO2 + HO2 ----> HO2 + TOLHRXN | 1.90E-13e 1300.00/T | 1.4872E-11 |\n| SA03 | XYLRO2 + NO ----> NO + XYLNRXN | 2.70E-12e 360.00/T | 9.0313E-12 |\n| SA04 | XYLRO2 + HO2 ----> HO2 + XYLHRXN | 1.90E-13e 1300.00/T | 1.4872E-11 |\n| SA05 | BENZRO2 + NO ----> NO + BNZNRXN | 2.70E-12e 360.00/T | 9.0313E-12 |\n| SA06 | BENZRO2 + HO2 ----> HO2 + BNZHRXN | 1.90E-13e 1300.00/T | 1.4872E-11 |\n| SA07 | SESQ + O3 ----> O3 + SESQRXN | 1.1600E-14 | 1.1600E-14 |\n| SA08 | SESQ + HO ----> HO + SESQRXN | 1.9700E-10 | 1.9700E-10 |\n| SA09 | SESQ + NO3 ----> NO3 + SESQRXN | 1.9000E-11 | 1.9000E-11 |\n| SA10 | NAPH + HO ----> HO + PAHRO2 | 2.3100E-11 | 2.3100E-11 |\n| SA11 | PAHRO2 + NO ----> NO + PAHNRXN | 2.70E-12e 360.00/T | 9.0313E-12 |\n| SA12 | PAHRO2 + HO2 ----> HO2 + PAHHRXN | 1.90E-13e 1300.00/T | 1.4872E-11 |\n| SA13 | SOAALK + HO ----> HO + 0.470\\*ALKRXN | 2.70E-12e 374.00/T | 9.4655E-12 |\n| SA14 | IEPOX + HO ----> HO | 5.78E-11e -400.00/T | 1.5110E-11 |\n| HET_N2O5 | N2O5 ----> 2.000\\*HNO3 | HETERO_N2O5IJ | Not Available2 | \n| HET_N02 | NO2 ----> 0.500\\*HONO + 0.500\\*HNO3 | HETERO_NO2 | Not Available2 | \n| HAL_Ozone | O3 ----> | SEAWATER*min( 6.701E-11e 1.074E+01P+ 3.415E-08e-6.713E-01P,
2.000E-06) | 2.0000E-064| \n| HET_IEPOX | IEPOX ----> AISO3J | HETERO_IEPOX | Not Available2 | \n| OLIG_XYLENE1 | AXYL1J ----> 0.857\\*AOLGAJ | 9.4882E-06 | 9.4882E-06 |\n| OLIG_XYLENE2 | AXYL2J ----> 1.143\\*AOLGAJ | 9.4882E-06 | 9.4882E-06 |\n| OLIG_TOLUENE1 | ATOL1J ----> 0.857\\*AOLGAJ | 9.4882E-06 | 9.4882E-06 |\n| OLIG_TOLUENE2 | ATOL2J ----> 1.143\\*AOLGAJ | 9.4882E-06 | 9.4882E-06 |\n| OLIG_BENZENE1 | ABNZ1J ----> 0.714\\*AOLGAJ | 9.4882E-06 | 9.4882E-06 |\n| OLIG_BENZENE2 | ABNZ2J ----> 0.714\\*AOLGAJ | 9.4882E-06 | 9.4882E-06 |\n| OLIG_TERPENE1 | ATRP1J ----> 0.800\\*AOLGBJ | 9.4882E-06 | 9.4882E-06 |\n| OLIG_TERPENE2 | ATRP2J ----> 0.900\\*AOLGBJ | 9.4882E-06 | 9.4882E-06 |\n| OLIG_ISOPRENE1 | AISO1J ----> 0.500\\*AOLGBJ | 9.4882E-06 | 9.4882E-06 |\n| OLIG_ISOPRENE2 | AISO2J ----> 0.500\\*AOLGBJ | 9.4882E-06 | 9.4882E-06 |\n| OLIG_SESQT1 | ASQTJ ----> 1.500\\*AOLGBJ | 9.4882E-06 | 9.4882E-06 |\n| OLIG_PAH1 | APAH1J ----> 1.429\\*AOLGAJ | 9.4882E-06 | 9.4882E-06 |\n| OLIG_PAH2 | APAH2J ----> 1.429\\*AOLGAJ | 9.4882E-06 | 9.4882E-06 |\n| OLIG_ALK1 | AALK1J ----> 1.714\\*AOLGAJ | 9.4882E-06 | 9.4882E-06 |\n| OLIG_ALK2 | AALK2J ----> 1.714\\*AOLGAJ | 9.4882E-06 | 9.4882E-06 |\n| RPOAGEPI | APOCI + HO ----> 1.250\\*APNCOMI + APOCI + HO | 2.5000E-12 | 2.5000E-12 |\n| RPOAGELI | APNCOMI + HO ----> HO | HETERO_PNCOMLI | Not Available2 | \n| RPOAGEPJ | APOCJ + HO ----> 1.250\\*APNCOMJ + APOCJ + HO | 2.5000E-12 | 2.5000E-12 |\n| RPOAGELJ | APNCOMJ + HO ----> HO | HETERO_PNCOMLJ | Not Available2 | \n| PCSOA | PCVOC + HO ----> HO + PCSOARXN | 1.2500E-11 | 1.2500E-11 |\n| POA_AGE1 | VLVPO1 + HO ----> HO + 0.486\\*VLVPO1 + 0.006\\*VSVPO1 + 0.003\\*VSVPO2 + 0.003\\*VSVPO3 + 0.002\\*VIVPO1 + 0.294\\*VLVOO1 + 0.202\\*VLVOO2 + 0.002\\*VSVOO2 + 0.002\\*VSVOO3 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE2 | VSVPO1 + HO ----> HO + 0.300\\*VLVPO1 + 0.286\\*VSVPO1 + 0.004\\*VSVPO2 + 0.004\\*VSVPO3 + 0.224\\*VLVOO1 + 0.182\\*VLVOO2 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE3 | VSVPO2 + HO ----> HO + 0.386\\*VLVPO1 + 0.095\\*VSVPO1 + 0.137\\*VSVPO2 + 0.001\\*VSVPO3 + 0.205\\*VLVOO1 + 0.176\\*VLVOO2 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE4 | VSVPO3 + HO ----> HO + 0.218\\*VLVPO1 + 0.306\\*VSVPO1 + 0.015\\*VSVPO2 + 0.104\\*VSVPO3 + 0.189\\*VLVOO1 + 0.167\\*VLVOO2 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE5 | VIVPO1 + HO ----> HO + 0.241\\*VLVPO1 + 0.209\\*VSVPO1 + 0.300\\*VSVPO2 + 0.203\\*VLVOO1 + 0.047\\*VLVOO2 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE6 | VLVOO1 + HO ----> HO + 0.666\\*VLVOO1 + 0.014\\*VLVOO2 + 0.012\\*VSVOO1 + 0.124\\*VSVOO2 + 0.183\\*VSVOO3 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE7 | VLVOO2 + HO ----> HO + 0.286\\*VLVOO1 + 0.393\\*VLVOO2 + 0.014\\*VSVOO1 + 0.103\\*VSVOO2 + 0.204\\*VSVOO3 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE8 | VSVOO1 + HO ----> HO + 0.330\\*VLVOO1 + 0.227\\*VLVOO2 + 0.261\\*VSVOO1 + 0.070\\*VSVOO2 + 0.112\\*VSVOO3 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE9 | VSVOO2 + HO ----> HO + 0.344\\*VLVOO1 + 0.275\\*VLVOO2 + 0.049\\*VSVOO1 + 0.258\\*VSVOO2 + 0.074\\*VSVOO3 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE10 | VSVOO3 + HO ----> HO + 0.389\\*VLVOO1 + 0.242\\*VLVOO2 + 0.064\\*VSVOO1 + 0.038\\*VSVOO2 + 0.267\\*VSVOO3 | 4.0000E-11 | 4.0000E-11 |\n\n0Units molecules/(sec*cm3); Value at 298.15 K; 2.4615E+19 molcules/cm3; 1.00 Atm. \n1Photolysis Reaction;depends on radiation and predicted concentrations \n2Heteorogeneous Reaction;Depends predicted concentrations \n4Set to zero if sun is below the horizon. SEAWATER equals surface fraction covered by ice free open ocean plus surf zones. P equals air pressure in atmospheres. \n8Rate constant scaled as reverse equilibrium to constant for listed reaction \n" }, { "path": "CCTM/src/MECHS/mechanism_information/racm2_ae6_aq/racm2_ae6_aq_species_table.md", "content": "**The GC namelist for racm2_ae6_aq has the following gas phase species.**\n\n| **Model Species** | **Definition** | **Explicit or Lumped** | **Molecular Weight** |\n| ----------------- | -------------------------------------------------------------------------------------------------------- | ---------------------- | -------------------- |\n| ACD | Acetaldehyde | E | 44 |\n| ACE | Acetylene | E | 26 |\n| ACO3 | Acetyl peroxy radicals | E | 75 |\n| ACT | acetone | E | 58 |\n| ACTP | Peroxy radicals formed from ACT | E | 89 |\n| ADCN | Aromatic-NO3 adduct from PHEN | L | 156 |\n| ADDC | Aromatic-HO adduct from CSL | L | 125 |\n| ALD | C3 and higher aldehydes | L | 58 |\n| ALKRXN | Precursor of Terpene Aerosol Material | L | 112 |\n| API | Alpha-pinenes and other cyclic terpenes with one double bond | L | 136 |\n| APIP | Peroxy radicals formed from API | L | 185 |\n| BAL1 | Peroxy radicals formed from BALD | L | 121 |\n| BAL2 | Peroxy radicals formed from BALD | L | 105 |\n| BALD | Benzaldehyde and other aromatic aldehydes | L | 106 |\n| BALP | Peroxy radicals formed from BALD | L | 137 |\n| BENP | Peroxy radicals formed from BEN | L | 127 |\n| BENZENE | Peroxy radicals formed from BEN | L | 78 |\n| BENZRO2 | hydroxyperoxy radical tracker from BENZENE and OH reaction;an aerosol precursor | L | 127 |\n| BNZHRXN | Precursor of Hydro-Benzene Aerosol Material | L | 127 |\n| BNZNRXN | Precursor of Nitro-Benzene Aerosol Material | L | 127 |\n| CHO | Phenoxy radical formed from CSL | L | 139 |\n| CO | Carbon monoxide | E | 28 |\n| CSL | Cresol and other hydroxy substituted aromatics | L | 108 |\n| DCB1 | Unsaturated dicarbonyls | L | 91 |\n| DCB2 | Unsaturated dicarbonyls | L | 110 |\n| DCB3 | Unsaturated dicarbonyls | L | 84 |\n| DIEN | Butadiene and other anthropogenic dienes | L | 54 |\n| EOH | Ethanol | E | 46 |\n| EPX | Epoxide formed in TOL, XYL and XYO reactions | L | 122.5 |\n| ETE | ethene | E | 28 |\n| ETEG | Ethylene glycol | E | 62 |\n| ETEP | Peroxy radicals formed from ETE | L | 77 |\n| ETH | ethane | E | 30 |\n| ETHP | Peroxy radicals formed from ETH | L | 61 |\n| GLY | Glyoxal | E | 58 |\n| H2O2 | Hydrogen peroxide | E | 34 |\n| HC3 | Alkanes, esters and alkynes with HO rate constant (298 K, 1 atm) less than 3.4x10-12 cm3 s-1 | L | 44 |\n| HC3P | Peroxy radicals formed from HC3 | L | 75 |\n| HC5 | Alkanes, esters and alkynes with HO rate constant (298 K, 1 atm) between 3.4x10-12 and 6.8x10-12 cm3 s-1 | L | 72 |\n| HC5P | Peroxy radicals formed from HC5 | L | 103 |\n| HC8 | Alkanes, esters and alkynes with HO rate constant (298 K, 1 atm) greater than 6.8x10-12 cm3 s-1 | L | 114 |\n| HC8P | Peroxy radicals formed from HC8 | L | 145 |\n| HCHO | Formaldehyde | E | 30 |\n| HKET | Hydroxy ketone | E | 74 |\n| HNO3 | Nitric acid | E | 63 |\n| HNO4 | Pernitric acid | E | 79 |\n| HO | Hydroxy radical | E | 17 |\n| HO2 | Hydroperoxy radical | E | 33 |\n| HONO | Nitrous acid | E | 47 |\n| IEPOX | isoprene epoxydiol | E | 118.1 |\n| ISHP | Beta-hydroxy hydroperoxides from ISOP+HO2 | L | 118 |\n| ISO | Isoprene | E | 68 |\n| ISON | Beta-hydroxyalkylnitrates from ISOP+NO alkylnitrates from ISO+NO3 | L | 147 |\n| ISOP | Peroxy radicals formed from ISO+HO | L | 117 |\n| ISOPRXN | Peroxy radicals formed from ISO+HO | L | 68 |\n| KET | ketones | E | 86 |\n| KETP | Peroxy radicals formed from KET | L | 117 |\n| LIM | d-limonene and other cyclic diene-terpenes | L | 136 |\n| LIMP | Peroxy radicals formed from LIM | L | 185 |\n| MACP | Peroxy radicals formed from MACR+HO | L | 101 |\n| MACR | methacrolein | E | 70 |\n| MAHP | Hydroperoxides from MACP+HO2 | L | 102 |\n| MCP | Peroxy radical formed from MACR + HO which does not form MPAN | L | 119 |\n| MCT | Methyl catechol | E | 124 |\n| MCTO | Alkoxy radical formed from MCT+HO and MCT+NO3 | L | 123 |\n| MCTP | Radical formed fro MCT+O3 reaction | L | 172 |\n| MEK | Methyl ethyl ketone | E | 72 |\n| MEKP | Peroxy radicals formed from MEK | L | 103 |\n| MGLY | Methylglyoxal and other alpha-carbonyl aldehydes | L | 72 |\n| MO2 | Methyl peroxy radical | E | 47 |\n| MOH | methanol | E | 32 |\n| MPAN | Peroxymethacryloylnitrate and other higher peroxyacylnitrates from isoprene oxidation | L | 148 |\n| MVK | Methyl vinyl ketone | E | 70 |\n| MVKP | Peroxy radicals formed from MVK | L | 119 |\n| N2O5 | Dinitrogen pentoxide | E | 108 |\n| NALD | nitrooxyacetaldehyde | E | 105 |\n| NAPH | naphthalene | E | 128.2 |\n| NO | Nitric oxide | E | 30 |\n| NO2 | Nitrogen dioxide | E | 46 |\n| NO3 | Nitrogen trioxide | E | 62 |\n| O1D | Excited state oxygen atom, O(1D) | E | 16 |\n| O3 | Ozone | E | 48 |\n| O3P | Ground state oxygen atom, O(3P) | E | 16 |\n| OLI | Internal alkenes | E | 68 |\n| OLIP | Peroxy radicals formed from OLI | E | 117 |\n| OLND | NO3-alkene adduct reacting via decomposition | E | 136 |\n| OLNN | NO3-alkene adduct reacting to form carbonitrates + HO2 | E | 136 |\n| OLT | Terminal alkenes | L | 42 |\n| OLTP | Peroxy radicals formed from OLT | L | 91 |\n| ONIT | Organic nitrate | E | 119 |\n| OP1 | Methyl hydrogen peroxide | E | 48 |\n| OP2 | Higher organic peroxides | L | 62 |\n| ORA1 | Formic acid | E | 46 |\n| ORA2 | Acetic acid and higher acids | L | 60 |\n| ORAP | Peroxy radical formed from ORA2 + HO reaction | L | 109 |\n| PAA | Peroxyacetic acids and higher analogs | L | 76 |\n| PAHHRXN | Precursor of Hydro-Naphthalene Aerosol Material | L | 187.2 |\n| PAHNRXN | Precursor of Nitro-Naphthalene Aerosol Material | L | 187.2 |\n| PAHRO2 | Naphthalene hydroxyperoxy radical tracker from naphthalene and OH reaction; an aerosol precursor | L | 187.2 |\n| PAN | Peroxyacetyl nitrate and higher saturated PANs | L | 121 |\n| PER1 | Peroxy intermediate formed from TOL | E | 141 |\n| PER2 | Peroxy intermediate formed from TOL | E | 157 |\n| PHEN | phenol | E | 94 |\n| PPN | Peroxypropionyl nitrate | E | 135 |\n| RCO3 | Higher saturated acyl peroxy radicals | L | 90 |\n| ROH | C3 and higher alcohols | L | 60 |\n| SESQ | Sesquiterpenes | E | 204 |\n| SESQRXN | Precursor of Sesquiterpenes Aerosol Material | L | 204 |\n| SO2 | Sulfur dioxide | E | 64 |\n| SOAALK | Alkanes that produce aerosol material | L | 112 |\n| SULF | Sulfuric acid | E | 98 |\n| SULRXN | Precursor of Aerosol Sulfate | L | 98 |\n| TLP1 | Peroxy radicals formed from TOL | L | 91 |\n| TOL | Toluene and less reactive aromatics | L | 92 |\n| TOLHRXN | Precursor of Hydro-Toulene Aerosol Material | L | 141 |\n| TOLNRXN | Precursor of Nitro-Toulene Aerosol Material | L | 141 |\n| TOLP | Peroxy radicals formed from TOL | L | 141 |\n| TOLRO2 | Peroxy Radical tracer from TOL with OH reaction; an aerosol precursor | L | 141 |\n| TR2 | Peroxy radicals formed from TOL | L | 109 |\n| TRPRXN | Precursor of Terpene Aerosol Material | L | 136 |\n| UALD | Unsaturated aldehydes | L | 84 |\n| UALP | Peroxy radicals formed from UALD | L | 133 |\n| XO2 | Accounts for addition NO to NO2 conversions | L | 1 |\n| XY2 | Peroxy radicals formed from XYL | L | 124 |\n| XYL1 | Peroxy radicals formed from XYL | L | 156 |\n| XYLHRXN | Precursor of Hydro-Xylene Aerosol Material | L | 155 |\n| XYLNRXN | Precursor of Nitro-Xylene Aerosol Material | L | 155 |\n| XYLP | Peroxy radicals formed from XYL | L | 155 |\n| XYLRO2 | Xylene hydroxyperoxy radical tracker from xylene isomer and OH reactions;an aerosol precursor | L | 155 |\n| XYM | M-xylene | E | 106 |\n| XYO | o-xylene | E | 106 |\n| XYO2 | Peroxy radicals formed from XYO | L | 155 |\n| XYOP | Peroxy radicals formed from XYO | L | 155 |\n| XYP | P-xylene | E | 106 |\n| | \n\n\n**The AE namelist for racm2_ae6_aq has the following aerosol species.**\n\n| **Model Species** | **Definition** | **Molecular Weight** | **Explicit or Lumped** |\n|-----------|-----------------------------------------------------|--------------------| ----------------------|\n| AAL | Aluminum | 27 | E |\n| AALK1 | Semivolaitle SOA Product from Alkane VOCs | 225.0 | L |\n| AALK2 | Semivolatile SOA Product from Alkane VOCs | 205.1 | L |\n| ABNZ1 | Semivolatile High-NOx SOA Product from Benzene | 161.0 | L |\n| ABNZ2 | Semivolatile High-NOx SOA Product from Benzene | 134.0 | L |\n| ABNZ3 | Low-Volatility Low-NOx SOA Product from Benzene | 180.0 | L |\n| ACA | Calcium | 40.1 | E |\n| ACL | Chloride | 35.5 | E |\n| ACORS | Anthropogenic Coarse-mode particle mass | 100.0 | L |\n| AEC | Elemental Carbon | 12 | E |\n| AFE | Iron | 55.8 | E |\n| AH2O | Water | 18 | E |\n| AH3OP | Hydronium Ion | 19 | E |\n| AISO1 | Semivolatile SOA Product from Isoprene | 132.0 | L |\n| AISO2 | High-Volatility SOA Product from Isoprene | 133.0 | L |\n| AISO3 | Acid-catalyzed Isoprene Epoxydiol SOA | 168.2 | L |\n| AIVPO1 | Intermediate Volatility Primary Organic Compounds | 266 | L |\n| AK | Potassium | 39.1 | E |\n| ALVOO1 | Low Volatility Oxidized Combustion Organic Compounds | 136 | L |\n| ALVOO2 | Low Volatility Oxidized Combustion Organic Compounds | 136 | L |\n| ALVPO1 | Low Volatility Primary Organic Compounds | 218 | L |\n| AMG | Magnesium | 24.3 | E |\n| AMN | Manganese | 54.9 | E |\n| ANA | Sodium | 23 | E |\n| ANH4 | Ammonium | 18 | E |\n| ANO3 | Nitrate | 62 | E |\n| AOLGA | Oligomer products of anthropogenic SOA compounds | 206.0 | L |\n| AOLGB | Oligomer products of biogenic SOA compounds | 248.0 | L |\n| AORGC | Glyoxal and methylglyoxal SOA produced in cloud water | 177.0 | L |\n| AOTHR | Other Particulate Mass | 200 | L |\n| APAH1 | Semivolatile High-NOx SOA Product from PAHs | 195.6 | L |\n| APAH2 | Semivolatile High-NOx SOA Product from PAHs | 178.7 | L |\n| APAH3 | Low-Volatility Low-NOx SOA Product from PAHs | 212.2 | L |\n| APCSO | Potential Combustion SOA | 170 | L |\n| APNCOM | Non-Carbon Organic Matter associated with APOC | 220.0 | L |\n| APOC | Primary Organic Carbon | 220.0 | L |\n| ASEACAT | Sea spray cations | 23.75 | L |\n| ASI | Silicon | 28.1 | E |\n| ASO4 | Sulfate | 96 | E |\n| ASOIL | Lumped crustal species | 100.0 | L |\n| ASQT | Semivolatile SOA Product from Sesquiterpenes | 273.0 | L |\n| ASVOO1 | Semivolatile Oxidized Combustion Organic Compounds | 135 | L |\n| ASVOO2 | Semivolatile Oxidized Combustion Organic Compounds | 135 | L |\n| ASVOO3 | Semivolatile Oxidized Combustion Organic Compounds | 134 | L |\n| ASVPO1 | Semivolatile Primary Organic Compounds | 230 | L |\n| ASVPO2 | Semivolatile Primary Organic Compounds | 241 | L |\n| ASVPO3 | Semivolatile Primary Organic Compounds | 253 | L |\n| ATI | Titanium | 47.9 | E |\n| ATOL1 | Semivolatile High-NOx SOA Product from Toluene | 163.0 | L |\n| ATOL2 | Semivolaitle High-NOx SOA Product from Toluene | 175.0 | L |\n| ATOL3 | Low-Volatility Low-NOx SOA Product from Toluene | 194.0 | L |\n| ATRP1 | Semivolatile SOA Product from Monoterpenes | 177.0 | L |\n| ATRP2 | High-Volatility SOA Product from Monoterpenes | 198.0 | L |\n| AXYL1 | Semivolatile High-NOx SOA Product from Xylene | 174.0 | L |\n| AXYL2 | Semivolaitle High-NOx SOA Product from Xylene | 185.0 | L |\n| AXYL3 | Low-Volatility Low-NOx SOA Product from Xylene | 218.0 | L |\n| NUMACC | Accum. Mode Number Conc | NA | NA |\n| NUMAIT | Aitken Mode Number Conc | NA | NA |\n| NUMCOR | Coarse Mode Number Conc | NA | NA |\n| SRFACC | Accum. Mode Surface Area Conc | NA | NA |\n| SRFAIT | Aitken Mode Surface Area Conc | NA | NA |\n| SRFCOR | Coarse Mode Surface Area Conc | NA | NA |\n\nNote that for each aerosol mass species, a letter will be appended to the names below in order to designate the size, or mode, of the aerosol being represented: I = Aitken mode, J = Accumulation mode, K = Coarse mode. \n**The NR namelist for racm2_ae6_aq has the following gas phase species.**\n\n| **Model Species** | **Definition** | **Molecular Weight** | **Explicit or Lumped** |\n| ----------------- | ---------------------------------------------------- | -------------------- | ---------------------- |\n| LVPCSOG | surrogate SOA precursor gas for combustion/anthropogenic sources | 170.0 | L | \n| NH3 | ammonia | 17.0 | E | \n| SVALK1 | vapors of secondary aerosol material from alkane VOCs | 225.0 | L | \n| SVALK2 | vapors of secondary aerosol material from alkane VOCs | 205.1 | L | \n| SVXYL1 | vapors of secondary aerosol material from xylenes | 174.0 | L | \n| SVXYL2 | vapors of secondary aerosol material from xylenes | 185.0 | L | \n| SVTOL1 | vapors of secondary aerosol material from toluene | 163.0 | L | \n| SVTOL2 | vapors of secondary aerosol material from toluene | 175.0 | L | \n| SVBNZ1 | vapors of secondary aerosol material from benzene | 161.0 | L | \n| SVBNZ2 | vapors of secondary aerosol material from benzene | 134.0 | L | \n| SVPAH1 | vapors of secondary aerosol material from PAHs | 195.6 | L | \n| SVPAH2 | vapors of secondary aerosol material from PAHs | 178.7 | L | \n| SVTRP1 | vapors of secondary aerosol material from monoterpenes | 177.0 | L | \n| SVTRP2 | vapors of secondary aerosol material from monoterpenes | 198.0 | L | \n| SVISO1 | vapors of secondary aerosol material from isoprene | 132.0 | L | \n| SVISO2 | vapors of secondary aerosol material from isoprene | 133.0 | L | \n| SVSQT | vapors of secondary aerosol material from sesquiterpenes | 273.0 | L | \n" }, { "path": "CCTM/src/MECHS/mechanism_information/racm2_ae6_aq/racm2_ae6_aq_species_table_aerosol.md", "content": "\n| **Model Species** | **Definition** | **Explicit or Lumped** | **Molecular Weight** |\n| ----------------- | -------------------------------------------------------------------------------------------------------- | ---------------------- | -------------------- |\n|AALK1J \t |Accumulation Mode Alkane Product 1|Aerosol|168 |\n|AALK2J \t |Accumulation Mode Alkane Product 2|Aerosol|168 |\n|ABNZ1J \t |Accumulation Mode Benzene Product 1|Aerosol|144 |\n|ABNZ2J \t |Accumulation Mode Benzene Product 2|Aerosol|144 |\n|AISO1J \t |Accumulation Mode Isoprene Product 1|Aerosol|96 |\n|AISO2J \t |Accumulation Mode Isoprene Product 2|Aerosol|96 |\n|AISO3J \t |Accumulation Mode Isoprene Product 3|Aerosol|168.2 |\n|ALKRXN \t |Precursor of Terpene Aerosol Material|Gas|112 |\n|AOLGAJ \t |Accumulation Mode Oligomerized Anthropogenic Material|Aerosol|176.4 |\n|AOLGBJ \t |Accumulation Mode Oligomerized Biogenic Material|Aerosol|252 |\n|APAH1J \t |Accumulation Mode PAH Product 1|Aerosol|243 |\n|APAH2J \t |Accumulation Mode PAH Product 2|Aerosol|243 |\n|APNCOMI\t |non-carbon organic matter (H, O, etc.) attached to POC in aitken mode|Aerosol|220 |\n|APNCOMJ\t |non-carbon organic matter (H, O, etc.) attached to POC in accumulation mode|Aerosol|220 |\n|APOCI \t |primary organic carbon in aitken mode|Aerosol|220 |\n|APOCJ \t |primary organic carbon in accumulation mode|Aerosol|220 |\n|ASQTJ \t |Accumulation Mode Sesquiterpene Aerosol|Aerosol|378 |\n|ATOL1J \t |Accumulation Mode Toulene Product 1|Aerosol|168 |\n|ATOL2J \t |Accumulation Mode Toulene Product 2|Aerosol|168 |\n|ATRP1J \t |Accumulation Mode Terpene Product 1|Aerosol|168 |\n|ATRP2J \t |Accumulation Mode Terpene Product 2|Aerosol|168 |\n|AXYL1J \t |Accumulation Mode Xylene Product 1|Aerosol|192 |\n|AXYL2J \t |Accumulation Mode Xylene Product 2|Aerosol|192 |\n|BNZHRXN\t |Precursor of Hydro-Benzene Aerosol Material|Gas|127 |\n|BNZNRXN\t |Precursor of Nitro-Benzene Aerosol Material|Gas|127 |\n|PAHHRXN\t |Precursor of Hydro-Naphthalene Aerosol Material|Gas|187.2 |\n|PAHNRXN\t |Precursor of Nitro-Naphthalene Aerosol Material|Gas|187.2 |\n|SESQRXN\t |Precursor of Sesquiterpenes Aerosol Material|Gas|204 |\n|SULRXN \t |Precursor of Aerosol Sulfate|Gas|98 |\n|TOLHRXN\t |Precursor of Hydro-Toulene Aerosol Material|Gas|141 |\n|TOLNRXN\t |Precursor of Nitro-Toulene Aerosol Material|Gas|141 |\n|TRPRXN \t |Precursor of Terpene Aerosol Material|Gas|136 |\n|XYLHRXN\t |Precursor of Hydro-Xylene Aerosol Material|Gas|155 |\n|XYLNRXN\t |Precursor of Nitro-Xylene Aerosol Material|Gas|155 |\n" }, { "path": "CCTM/src/MECHS/mechanism_information/saprc07tc_ae6_aq/AE6_species_table.md", "content": "**The AE namelist for saprc07tc_ae6_aq has the following aerosol species.**\n\n| **Model Species** | **Name** | **Molecular Weight** | **Explicit or Lumped** |\n| ----------------- | ---------------------------------------------------- | -------------------- | ---------------------- |\n| AAL | Aluminum | 27 | E |\n| AALK1 | Semivolaitle SOA Product from Alkane VOCs | 225.0 | L |\n| AALK2 | Semivolatile SOA Product from Alkane VOCs | 205.1 | L |\n| ABNZ1 | Semivolatile High-NOx SOA Product from Benzene | 161.0 | L |\n| ABNZ2 | Semivolatile High-NOx SOA Product from Benzene | 134.0 | L |\n| ABNZ3 | Low-Volatility Low-NOx SOA Product from Benzene | 180.0 | L |\n| ACA | Calcium | 40.1 | E |\n| ACL | Chloride | 35.5 | E |\n| ACORS | Anthropogenic Coarse-mode particle mass | 100.0 | L |\n| AEC | Elemental Carbon | 12 | E |\n| AFE | Iron | 55.8 | E |\n| AH2O | Water | 18 | E |\n| AH3OP | Hydronium Ion | 19 | E |\n| AISO1 | Semivolatile SOA Product from Isoprene | 132.0 | L |\n| AISO2 | High-Volatility SOA Product from Isoprene | 133.0 | L |\n| AISO3 | Acid-Catalyzed Isoprene SOA compounds | 168.2 | L |\n| AIVPO1 | Intermediate Volatility Primary Organic Compounds | 266 | L |\n| AK | Potassium | 39.1 | E |\n| ALVOO1 | Low Volatility Oxidized Combustion Organic Compounds | 136 | L |\n| ALVOO2 | Low Volatility Oxidized Combustion Organic Compounds | 136 | L |\n| ALVPO1 | Low Volatility Primary Organic Compounds | 218 | L |\n| AMG | Magnesium | 24.3 | E |\n| AMN | Manganese | 54.9 | E |\n| ANA | Sodium | 23 | E |\n| ANH4 | Ammonium | 18 | E |\n| ANO3 | Nitrate | 62 | E |\n| AOLGA | Oligomer products of anthropogenic SOA compounds | 206.0 | L |\n| AOLGB | Oligomer products of biogenic SOA compounds | 248.0 | L |\n| AORGC | Glyoxal and Methylglyoxal SOA | 177.0 | L |\n| AOTHR | Other Particulate Mass | 200 | L |\n| APAH1 | Semivolatile High-NOx SOA Product from PAHs | 195.6 | L |\n| APAH2 | Semivolatile High-NOx SOA Product from PAHs | 178.7 | L |\n| APAH3 | Low-Volatility Low-NOx SOA Product from PAHs | 212.2 | L |\n| APCSO | Potential Combustion SOA | 170 | L |\n| APNCOM | Non-Carbon Organic Matter associated with APOC | 220.0 | L |\n| APOC | Primary Organic Carbon | 220.0 | L |\n| ASEACAT | Sea spray cations | 23.75 | L |\n| ASI | Silicon | 28.1 | E |\n| ASO4 | Sulfate | 96 | E |\n| ASOIL | Lumped crustal species | 100.0 | L |\n| ASQT | Semivolatile SOA Product from Sesquiterpenes | 273.0 | L |\n| ASVOO1 | Semivolatile Oxidized Combustion Organic Compounds | 135 | L |\n| ASVOO2 | Semivolatile Oxidized Combustion Organic Compounds | 135 | L |\n| ASVOO3 | Semivolatile Oxidized Combustion Organic Compounds | 134 | L |\n| ASVPO1 | Semivolatile Primary Organic Compounds | 230 | L |\n| ASVPO2 | Semivolatile Primary Organic Compounds | 241 | L |\n| ASVPO3 | Semivolatile Primary Organic Compounds | 253 | L |\n| ATI | Titanium | 47.9 | E |\n| ATOL1 | Semivolatile High-NOx SOA Product from Toluene | 163.0 | L |\n| ATOL2 | Semivolaitle High-NOx SOA Product from Toluene | 175.0 | L |\n| ATOL3 | Low-Volatility Low-NOx SOA Product from Toluene | 194.0 | L |\n| ATRP1 | Semivolatile SOA Product from Monoterpenes | 177.0 | L |\n| ATRP2 | High-Volatility SOA Product from Monoterpenes | 198.0 | L |\n| AXYL1 | Semivolatile High-NOx SOA Product from Xylene | 174.0 | L |\n| AXYL2 | Semivolaitle High-NOx SOA Product from Xylene | 185.0 | L |\n| AXYL3 | Low-Volatility Low-NOx SOA Product from Xylene | 218.0 | L |\n| NUMACC | Accum. Mode Number Conc | NA | NA |\n| NUMAIT | Aitken Mode Number Conc | NA | NA |\n| NUMCOR | Coarse Mode Number Conc | NA | NA |\n| SRFACC | Accum. Mode Surface Area Conc | NA | NA |\n| SRFAIT | Aitken Mode Surface Area Conc | NA | NA |\n| SRFCOR | Coarse Mode Surface Area Conc | NA | NA |\n\nNote that for each aerosol mass species, a letter will be appended to the names below in order to designate the size, or mode, of the aerosol being represented: I = Aitken mode, J = Accumulation mode, K = Coarse mode. \n" }, { "path": "CCTM/src/MECHS/mechanism_information/saprc07tc_ae6_aq/NR_species_table.md", "content": "**The NR namelist for sapr07tc_ae6_aq has the following gas phase species.**\n\n| **Model Species** | **Name** | **Molecular Weight** | **Explicit or Lumped** |\n| ----------------- | ---------------------------------------------------- | -------------------- | ---------------------- |\n| LVPCSOG | surrogate SOA precursor gas for combustion/anthropogenic sources | 170.0 | L | \n| NH3 | ammonia | 17.0 | E | \n| SVALK1 | vapors of secondary aerosol material from alkane VOCs | 225.0 | L | \n| SVALK2 | vapors of secondary aerosol material from alkane VOCs | 205.1 | L | \n| SVXYL1 | vapors of secondary aerosol material from xylenes | 174.0 | L | \n| SVXYL2 | vapors of secondary aerosol material from xylenes | 185.0 | L | \n| SVTOL1 | vapors of secondary aerosol material from toluene | 163.0 | L | \n| SVTOL2 | vapors of secondary aerosol material from toluene | 175.0 | L | \n| SVBNZ1 | vapors of secondary aerosol material from benzene | 161.0 | L | \n| SVBNZ2 | vapors of secondary aerosol material from benzene | 134.0 | L | \n| SVPAH1 | vapors of secondary aerosol material from PAHs | 195.6 | L | \n| SVPAH2 | vapors of secondary aerosol material from PAHs | 178.7 | L | \n| SVTRP1 | vapors of secondary aerosol material from monoterpenes | 177.0 | L | \n| SVTRP2 | vapors of secondary aerosol material from monoterpenes | 198.0 | L | \n| SVISO1 | vapors of secondary aerosol material from isoprene | 132.0 | L | \n| SVISO2 | vapors of secondary aerosol material from isoprene | 133.0 | L | \n| SVSQT | vapors of secondary aerosol material from sesquiterpenes | 273.0 | L | \n" }, { "path": "CCTM/src/MECHS/mechanism_information/saprc07tc_ae6_aq/mech_saprc07tc_ae6_aq.md", "content": "Information is based on the mech.def file.\n* Fall-off or pressure dependent reaction rate constants (M equals air number density):\n * For rate constants with ko, ki, n, F values: k = [ koM/(1+koM/ki)]FG, where G=(1+(log10(koM/ki)/n)2))-1 \n * For rate constants with k1, k2: k = k1 + k2M\n * For rate constants with k0, k2, k3: k = k0 + k3M/(1+k3M/k2)\n * For rate constants with k1, k2, k3: k = k1 + k2M + k3 \n\n* For rate constants with the form A<_Reference_>, k equals A times a reference that represents photolysis rate, a heteorogeneous rate constant, rate constant for the given reaction or an operator. A equals one if not given.\n\n* In the mechanism definition file, the rate is formatted as\n * A~<_HETEOROGENEOUS_>\n * A*K<_REACTION_>\n * A/<_PHOTOLYSIS_>\n * A?<_OPERATOR_>\n\n|Label|Reaction |Rate Constant Formula| Value
molecules/(sec*cm3)| \n|:---|:-------------------|:--------------------|:----:| \n| 1 | NO2 ----> NO + O3P | NO2_06 | Not Available1 | \n| 2 | O3P + O2 + M ----> O3 | 5.68E-34(T/300) -2.60 | 5.7721E-34 |\n| 3 | O3P + O3 ----> | 8.00E-12e -2060.00/T | 7.9879E-15 |\n| 4 | O3P + NO ----> NO2 | ko= 9.00E-32e 0.0/T(T/300) -1.50
ki = 3.00E-11e 0.0/T(T/300) 0.00
n= 1.00;F= 0.60 | 1.6618E-12 |\n| 5 | O3P + NO2 ----> NO | 5.50E-12e 188.00/T | 1.0333E-11 |\n| 6 | O3P + NO2 ----> NO3 | ko= 2.50E-31e 0.0/T(T/300) -1.80
ki = 2.20E-11e 0.0/T(T/300) -0.70
n= 1.00;F= 0.60 | 3.2805E-12 |\n| 7 | O3 + NO ----> NO2 | 3.00E-12e -1500.00/T | 1.9596E-14 |\n| 8 | O3 + NO2 ----> NO3 | 1.40E-13e -2470.00/T | 3.5339E-17 |\n| 9 | NO + NO3 ----> 2.000\\*NO2 | 1.80E-11e 110.00/T | 2.6032E-11 |\n| 10 | NO + NO + O2 ----> 2.000\\*NO2 | 3.30E-39e 530.00/T | 1.9522E-38 |\n| 11 | NO2 + NO3 ----> N2O5 | ko= 3.60E-30e 0.0/T(T/300) -4.10
ki = 1.90E-12e 0.0/T(T/300) 0.20
n= 1.33;F= 0.35 | 1.2406E-12 |\n| 12 | N2O5 ----> NO2 + NO3 | ko= 1.30E-03e-11000.0/T(T/300) -3.50
ki = 9.70E+14e-11080.0/T(T/300) 0.10
n= 1.33;F= 0.35 | 4.5396E-02 |\n| 13 | N2O5 + H2O ----> 2.000\\*HNO3 | 1.0000E-22 | 1.0000E-22 |\n| 14 | N2O5 + H2O + H2O ----> 2.000\\*HNO3 | 0.0000E+00 | 0.0000E+00 |\n| 15 | NO2 + NO3 ----> NO + NO2 | 4.50E-14e -1260.00/T | 6.5744E-16 |\n| 16 | NO3 ----> NO | NO3NO_06 | Not Available1 | \n| 17 | NO3 ----> NO2 + O3P | NO3NO2_6 | Not Available1 | \n| 18 | O3 ----> O1D | O3O1D_06 | Not Available1 | \n| 19 | O3 ----> O3P | O3O3P_06 | Not Available1 | \n| 20 | O1D + H2O ----> 2.000\\*OH | 1.63E-10e 60.00/T | 1.9934E-10 |\n| 21 | O1D + M ----> O3P | 2.38E-11e 96.00/T | 3.2841E-11 |\n| 22 | OH + NO ----> HONO | ko= 7.00E-31e 0.0/T(T/300) -2.60
ki = 3.60E-11e 0.0/T(T/300) -0.10
n= 1.00;F= 0.60 | 7.3998E-12 |\n| 23 | HONO ----> OH + NO | HONO_06 | Not Available1 | \n| 24 | OH + HONO ----> NO2 | 2.50E-12e 260.00/T | 5.9795E-12 |\n| 25 | OH + NO2 ----> HNO3 | ko= 3.20E-30e 0.0/T(T/300) -4.50
ki = 3.00E-11e 0.0/T(T/300) 0.00
n= 1.24;F= 0.41 | 9.8821E-12 |\n| 26 | OH + NO3 ----> HO2 + NO2 | 2.0000E-11 | 2.0000E-11 |\n| 27 | OH + HNO3 ----> NO3 | k0= 2.40E-14e 460.0/T
k1= 2.70E-17e 2199.0/T
k3= 6.50E-34e 1335.0/T | 1.5409E-13 |\n| 28 | HNO3 ----> OH + NO2 | HNO3 | Not Available1 | \n| 29 | OH + CO ----> HO2 + CO2 | k0= 1.44E-13e 0.0/T
k1= 3.43E-33e 0.0/T | 2.2843E-13 |\n| 30 | OH + O3 ----> HO2 | 1.70E-12e -940.00/T | 7.2647E-14 |\n| 31 | HO2 + NO ----> OH + NO2 | 3.60E-12e 270.00/T | 8.9042E-12 |\n| 32 | HO2 + NO2 ----> HNO4 | ko= 2.00E-31e 0.0/T(T/300) -3.40
ki = 2.90E-12e 0.0/T(T/300) -1.10
n= 1.00;F= 0.60 | 1.1385E-12 |\n| 33 | HNO4 ----> HO2 + NO2 | ko= 3.72E-05e-10650.0/T(T/300) -2.40
ki = 5.42E+15e-11170.0/T(T/300) -2.30
n= 1.00;F= 0.60 | 8.6986E-02 |\n| 34 | HNO4 ----> 0.610\\*HO2 + 0.610\\*NO2 + 0.390\\*OH + 0.390\\*NO3 | HNO4_06 | Not Available1 | \n| 35 | HNO4 + OH ----> NO2 | 1.30E-12e 380.00/T | 4.6501E-12 |\n| 36 | HO2 + O3 ----> OH | 2.03E-16e 693.00/T(T/300) 4.57 | 2.0168E-15 |\n| 37 | HO2 + HO2 ----> HO2H | k0= 2.20E-13e 600.0/T
k1= 1.90E-33e 980.0/T | 2.8975E-12 |\n| 38 | HO2 + HO2 + H2O ----> HO2H | k0= 3.08E-34e 2800.0/T
k1= 2.66E-54e 3180.0/T | 6.4973E-30 |\n| 39 | NO3 + HO2 ----> 0.800\\*OH + 0.800\\*NO2 + 0.200\\*HNO3 | 4.0000E-12 | 4.0000E-12 |\n| 40 | NO3 + NO3 ----> 2.000\\*NO2 | 8.50E-13e -2450.00/T | 2.2944E-16 |\n| 41 | HO2H ----> 2.000\\*OH | H2O2 | Not Available1 | \n| 42 | HO2H + OH ----> HO2 | 1.8000E-12 | 1.8000E-12 |\n| 43 | OH + HO2 ----> | 4.80E-11e 250.00/T | 1.1102E-10 |\n| 44 | OH + SO2 ----> HO2 + SULF + SULRXN | ko= 3.30E-31e 0.0/T(T/300) -4.30
ki = 1.60E-12e 0.0/T(T/300) 0.00
n= 1.00;F= 0.60 | 9.5810E-13 |\n| 45 | OH + H2 ----> HO2 | 7.70E-12e -2100.00/T | 6.7230E-15 |\n| BR01 | MEO2 + NO ----> NO2 + HCHO + HO2 | 2.30E-12e 360.00/T | 7.6933E-12 |\n| BR02 | MEO2 + HO2 ----> COOH | 3.46E-13e 780.00/T(T/300) 0.36 | 4.7237E-12 |\n| BR03 | MEO2 + HO2 ----> HCHO | 3.34E-14e 780.00/T(T/300) -3.53 | 4.6709E-13 |\n| BR04 | MEO2 + NO3 ----> HCHO + HO2 + NO2 | 1.3000E-12 | 1.3000E-12 |\n| BR05 | MEO2 + MEO2 ----> MEOH + HCHO | 6.39E-14e 365.00/T(T/300) -1.80 | 2.1979E-13 |\n| BR06 | MEO2 + MEO2 ----> 2.000\\*HCHO + 2.000\\*HO2 | 7.40E-13e -520.00/T | 1.2936E-13 |\n| BR07 | RO2C + NO ----> NO2 | 2.60E-12e 380.00/T | 9.3002E-12 |\n| BR08 | RO2C + HO2 ----> | 3.80E-13e 900.00/T | 7.7759E-12 |\n| BR09 | RO2C + NO3 ----> NO2 | 2.3000E-12 | 2.3000E-12 |\n| BR10 | RO2C + MEO2 ----> 0.500\\*HO2 + 0.750\\*HCHO + 0.250\\*MEOH | 2.0000E-13 | 2.0000E-13 |\n| BR11 | RO2C + RO2C ----> | 3.5000E-14 | 3.5000E-14 |\n| BR12 | RO2XC + NO ----> | BR07 | 9.3002E-127| \n| BR13 | RO2XC + HO2 ----> | BR08 | 7.7759E-127| \n| BR14 | RO2XC + NO3 ----> NO2 | BR09 | 2.3000E-127| \n| BR15 | RO2XC + MEO2 ----> 0.500\\*HO2 + 0.750\\*HCHO + 0.250\\*MEOH | BR10 | 2.0000E-137| \n| BR16 | RO2XC + RO2C ----> | BR11 | 3.5000E-147| \n| BR17 | RO2XC + RO2XC ----> | BR11 | 3.5000E-147| \n| BR18 | MECO3 + NO2 ----> PAN | ko= 2.70E-28e 0.0/T(T/300) -7.10
ki = 1.21E-11e 0.0/T(T/300) -0.90
n= 1.41;F= 0.30 | 9.4624E-12 |\n| BR19 | PAN ----> MECO3 + NO2 | ko= 4.90E-03e-12100.0/T(T/300) 0.00
ki = 4.00E+16e-13600.0/T(T/300) 0.00
n= 1.41;F= 0.30 | 4.7483E-04 |\n| BR20 | PAN ----> 0.600\\*MECO3 + 0.600\\*NO2 + 0.400\\*MEO2 + 0.400\\*CO2 + 0.400\\*NO3 | PAN | Not Available1 | \n| BR21 | MECO3 + NO ----> MEO2 + CO2 + NO2 | 7.50E-12e 290.00/T | 1.9837E-11 |\n| BR22 | MECO3 + HO2 ----> 0.105\\*CCOOOH + 0.045\\*CCOOH + 0.150\\*O3 + 0.440\\*OH + 0.440\\*MEO2 + 0.440\\*CO2 | 5.20E-13e 980.00/T | 1.3916E-11 |\n| BR23 | MECO3 + NO3 ----> MEO2 + CO2 + NO2 | BR09 | 2.3000E-127| \n| BR24 | MECO3 + MEO2 ----> 0.100\\*CCOOH + HCHO + 0.900\\*HO2 + 0.900\\*MEO2 + 0.900\\*CO2 | 2.00E-12e 500.00/T | 1.0699E-11 |\n| BR25 | MECO3 + RO2C ----> MEO2 + CO2 | 4.40E-13e 1070.00/T | 1.5924E-11 |\n| BR26 | MECO3 + RO2XC ----> MEO2 + CO2 | BR25 | 1.5924E-117| \n| BR27 | MECO3 + MECO3 ----> 2.000\\*MEO2 + 2.000\\*CO2 | 2.90E-12e 500.00/T | 1.5514E-11 |\n| BR28 | RCO3 + NO2 ----> PAN2 | 1.21E-11e 0.00/T(T/300) -1.07 | 1.2180E-11 |\n| BR29 | PAN2 ----> RCO3 + NO2 | 8.30E+16e-13940.00/T | 4.1081E-04 |\n| BR30 | PAN2 ----> 0.600\\*RCO3 + 0.600\\*NO2 + 0.400\\*RO2C + 0.400\\*xHO2 + 0.400\\*yROOH + 0.400\\*xCCHO + 0.400\\*CO2 + 0.400\\*NO3 | PAN | Not Available1 | \n| BR31 | RCO3 + NO ----> NO2 + RO2C + xHO2 + yROOH + xCCHO + CO2 | 6.70E-12e 340.00/T | 2.0957E-11 |\n| BR32 | RCO3 + HO2 ----> 0.307\\*RCOOOH + 0.102\\*RCOOH + 0.150\\*O3 + 0.440\\*OH + 0.440\\*xHO2 + 0.440\\*RO2C + 0.440\\*CO2 + 0.440\\*xCCHO + 0.440\\*yROOH | BR22 | 1.3916E-117| \n| BR33 | RCO3 + NO3 ----> NO2 + RO2C + xHO2 + yROOH + xCCHO + CO2 | BR09 | 2.3000E-127| \n| BR34 | RCO3 + MEO2 ----> HCHO + HO2 + RO2C + xHO2 + xCCHO + yROOH + CO2 | BR24 | 1.0699E-117| \n| BR35 | RCO3 + RO2C ----> RO2C + xHO2 + xCCHO + yROOH + CO2 | BR25 | 1.5924E-117| \n| BR36 | RCO3 + RO2XC ----> RO2C + xHO2 + xCCHO + yROOH + CO2 | BR25 | 1.5924E-117| \n| BR37 | RCO3 + MECO3 ----> 2.000\\*CO2 + MEO2 + RO2C + xHO2 + yROOH + xCCHO | BR27 | 1.5514E-117| \n| BR38 | RCO3 + RCO3 ----> 2.000\\*RO2C + 2.000\\*xHO2 + 2.000\\*xCCHO + 2.000\\*yROOH + 2.000\\*CO2 | BR27 | 1.5514E-117| \n| BR39 | BZCO3 + NO2 ----> PBZN | 1.3700E-11 | 1.3700E-11 |\n| BR40 | PBZN ----> BZCO3 + NO2 | 7.90E+16e-14000.00/T | 3.1974E-04 |\n| BR41 | PBZN ----> 0.600\\*BZCO3 + 0.600\\*NO2 + 0.400\\*CO2 + 0.400\\*BZO + 0.400\\*RO2C + 0.400\\*NO3 | PAN | Not Available1 | \n| BR42 | BZCO3 + NO ----> NO2 + CO2 + BZO + RO2C | BR31 | 2.0957E-117| \n| BR43 | BZCO3 + HO2 ----> 0.307\\*RCOOOH + 0.102\\*RCOOH + 0.150\\*O3 + 0.440\\*OH + 0.440\\*BZO + 0.440\\*RO2C + 0.440\\*CO2 | BR22 | 1.3916E-117| \n| BR44 | BZCO3 + NO3 ----> NO2 + CO2 + BZO + RO2C | BR09 | 2.3000E-127| \n| BR45 | BZCO3 + MEO2 ----> HCHO + HO2 + RO2C + BZO + CO2 | BR24 | 1.0699E-117| \n| BR46 | BZCO3 + RO2C ----> RO2C + BZO + CO2 | BR25 | 1.5924E-117| \n| BR47 | BZCO3 + RO2XC ----> RO2C + BZO + CO2 | BR25 | 1.5924E-117| \n| BR48 | BZCO3 + MECO3 ----> 2.000\\*CO2 + MEO2 + BZO + RO2C | BR27 | 1.5514E-117| \n| BR49 | BZCO3 + RCO3 ----> 2.000\\*CO2 + 2.000\\*RO2C + xHO2 + yROOH + xCCHO + BZO | BR27 | 1.5514E-117| \n| BR50 | BZCO3 + BZCO3 ----> 2.000\\*BZO + 2.000\\*RO2C + 2.000\\*CO2 | BR27 | 1.5514E-117| \n| BR51 | MACO3 + NO2 ----> MAPAN | BR28 | 1.2180E-117| \n| BR52 | MAPAN ----> MACO3 + NO2 | 1.60E+16e-13486.00/T | 3.6308E-04 |\n| BR53 | MAPAN ----> 0.600\\*MACO3 + 0.600\\*NO2 + 0.400\\*CO2 + 0.400\\*HCHO + 0.400\\*MECO3 + 0.400\\*NO3 | PAN | Not Available1 | \n| BR54 | MACO3 + NO ----> NO2 + CO2 + HCHO + MECO3 | BR31 | 2.0957E-117| \n| BR55 | MACO3 + HO2 ----> 0.307\\*RCOOOH + 0.102\\*RCOOH + 0.150\\*O3 + 0.440\\*OH + 0.440\\*HCHO + 0.440\\*MECO3 + 0.440\\*CO2 | BR22 | 1.3916E-117| \n| BR56 | MACO3 + NO3 ----> NO2 + CO2 + HCHO + MECO3 | BR09 | 2.3000E-127| \n| BR57 | MACO3 + MEO2 ----> 2.000\\*HCHO + HO2 + CO2 + MECO3 | BR24 | 1.0699E-117| \n| BR58 | MACO3 + RO2C ----> CO2 + HCHO + MECO3 | BR25 | 1.5924E-117| \n| BR59 | MACO3 + RO2XC ----> CO2 + HCHO + MECO3 | BR25 | 1.5924E-117| \n| BR60 | MACO3 + MECO3 ----> 2.000\\*CO2 + MEO2 + HCHO + MECO3 | BR27 | 1.5514E-117| \n| BR61 | MACO3 + RCO3 ----> HCHO + MECO3 + RO2C + xHO2 + yROOH + xCCHO + 2.000\\*CO2 | BR27 | 1.5514E-117| \n| BR62 | MACO3 + BZCO3 ----> HCHO + MECO3 + BZO + RO2C + 2.000\\*CO2 | BR27 | 1.5514E-117| \n| BR63 | MACO3 + MACO3 ----> 2.000\\*HCHO + 2.000\\*MECO3 + 2.000\\*CO2 | BR27 | 1.5514E-117| \n| BR64 | TBUO + NO2 ----> RNO3 | 2.4000E-11 | 2.4000E-11 |\n| BR65 | TBUO ----> ACETONE + MEO2 | 7.50E+14e -8152.00/T | 1.0014E+03 |\n| BR66 | BZO + NO2 ----> NPHE | 2.30E-11e 150.00/T | 3.8038E-11 |\n| BR67 | BZO + HO2 ----> CRES | BR08 | 7.7759E-127| \n| BR68 | BZO ----> CRES + RO2C + xHO2 | 1.0000E-03 | 1.0000E-03 |\n| R019 | xHO2 + NO ----> NO + HO2 | BR07 | 9.3002E-127| \n| R020 | xHO2 + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| R021 | xHO2 + NO3 ----> NO3 + HO2 | BR09 | 2.3000E-127| \n| R022 | xHO2 + MEO2 ----> MEO2 + 0.500\\*HO2 | BR10 | 2.0000E-137| \n| R023 | xHO2 + RO2C ----> RO2C + 0.500\\*HO2 | BR11 | 3.5000E-147| \n| R024 | xHO2 + RO2XC ----> RO2XC + 0.500\\*HO2 | BR11 | 3.5000E-147| \n| R025 | xHO2 + MECO3 ----> MECO3 + HO2 | BR25 | 1.5924E-117| \n| R026 | xHO2 + RCO3 ----> RCO3 + HO2 | BR25 | 1.5924E-117| \n| R027 | xHO2 + BZCO3 ----> BZCO3 + HO2 | BR25 | 1.5924E-117| \n| R028 | xHO2 + MACO3 ----> MACO3 + HO2 | BR25 | 1.5924E-117| \n| R029 | xOH + NO ----> NO + OH | BR07 | 9.3002E-127| \n| R030 | xOH + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| R031 | xOH + NO3 ----> NO3 + OH | BR09 | 2.3000E-127| \n| R032 | xOH + MEO2 ----> MEO2 + 0.500\\*OH | BR10 | 2.0000E-137| \n| R033 | xOH + RO2C ----> RO2C + 0.500\\*OH | BR11 | 3.5000E-147| \n| R034 | xOH + RO2XC ----> RO2XC + 0.500\\*OH | BR11 | 3.5000E-147| \n| R035 | xOH + MECO3 ----> MECO3 + OH | BR25 | 1.5924E-117| \n| R036 | xOH + RCO3 ----> RCO3 + OH | BR25 | 1.5924E-117| \n| R037 | xOH + BZCO3 ----> BZCO3 + OH | BR25 | 1.5924E-117| \n| R038 | xOH + MACO3 ----> MACO3 + OH | BR25 | 1.5924E-117| \n| R039 | xNO2 + NO ----> NO + NO2 | BR07 | 9.3002E-127| \n| R040 | xNO2 + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| R041 | xNO2 + NO3 ----> NO3 + NO2 | BR09 | 2.3000E-127| \n| R042 | xNO2 + MEO2 ----> MEO2 + 0.500\\*NO2 | BR10 | 2.0000E-137| \n| R043 | xNO2 + RO2C ----> RO2C + 0.500\\*NO2 | BR11 | 3.5000E-147| \n| R044 | xNO2 + RO2XC ----> RO2XC + 0.500\\*NO2 | BR11 | 3.5000E-147| \n| R045 | xNO2 + MECO3 ----> MECO3 + NO2 | BR25 | 1.5924E-117| \n| R046 | xNO2 + RCO3 ----> RCO3 + NO2 | BR25 | 1.5924E-117| \n| R047 | xNO2 + BZCO3 ----> BZCO3 + NO2 | BR25 | 1.5924E-117| \n| R048 | xNO2 + MACO3 ----> MACO3 + NO2 | BR25 | 1.5924E-117| \n| R049 | xMEO2 + NO ----> NO + MEO2 | BR07 | 9.3002E-127| \n| R050 | xMEO2 + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| R051 | xMEO2 + NO3 ----> NO3 + MEO2 | BR09 | 2.3000E-127| \n| R052 | xMEO2 + MEO2 ----> 1.500\\*MEO2 | BR10 | 2.0000E-137| \n| R053 | xMEO2 + RO2C ----> RO2C + 0.500\\*MEO2 | BR11 | 3.5000E-147| \n| R054 | xMEO2 + RO2XC ----> RO2XC + 0.500\\*MEO2 | BR11 | 3.5000E-147| \n| R055 | xMEO2 + MECO3 ----> MECO3 + MEO2 | BR25 | 1.5924E-117| \n| R056 | xMEO2 + RCO3 ----> RCO3 + MEO2 | BR25 | 1.5924E-117| \n| R057 | xMEO2 + BZCO3 ----> BZCO3 + MEO2 | BR25 | 1.5924E-117| \n| R058 | xMEO2 + MACO3 ----> MACO3 + MEO2 | BR25 | 1.5924E-117| \n| R059 | xMECO3 + NO ----> NO + MECO3 | BR07 | 9.3002E-127| \n| R060 | xMECO3 + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| R061 | xMECO3 + NO3 ----> NO3 + MECO3 | BR09 | 2.3000E-127| \n| R062 | xMECO3 + MEO2 ----> MEO2 + 0.500\\*MECO3 | BR10 | 2.0000E-137| \n| R063 | xMECO3 + RO2C ----> RO2C + 0.500\\*MECO3 | BR11 | 3.5000E-147| \n| R064 | xMECO3 + RO2XC ----> RO2XC + 0.500\\*MECO3 | BR11 | 3.5000E-147| \n| R065 | xMECO3 + MECO3 ----> 2.000\\*MECO3 | BR25 | 1.5924E-117| \n| R066 | xMECO3 + RCO3 ----> RCO3 + MECO3 | BR25 | 1.5924E-117| \n| R067 | xMECO3 + BZCO3 ----> BZCO3 + MECO3 | BR25 | 1.5924E-117| \n| R068 | xMECO3 + MACO3 ----> MACO3 + MECO3 | BR25 | 1.5924E-117| \n| R069 | xRCO3 + NO ----> NO + RCO3 | BR07 | 9.3002E-127| \n| R070 | xRCO3 + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| R071 | xRCO3 + NO3 ----> NO3 + RCO3 | BR09 | 2.3000E-127| \n| R072 | xRCO3 + MEO2 ----> MEO2 + 0.500\\*RCO3 | BR10 | 2.0000E-137| \n| R073 | xRCO3 + RO2C ----> RO2C + 0.500\\*RCO3 | BR11 | 3.5000E-147| \n| R074 | xRCO3 + RO2XC ----> RO2XC + 0.500\\*RCO3 | BR11 | 3.5000E-147| \n| R075 | xRCO3 + MECO3 ----> MECO3 + RCO3 | BR25 | 1.5924E-117| \n| R076 | xRCO3 + RCO3 ----> 2.000\\*RCO3 | BR25 | 1.5924E-117| \n| R077 | xRCO3 + BZCO3 ----> BZCO3 + RCO3 | BR25 | 1.5924E-117| \n| R078 | xRCO3 + MACO3 ----> MACO3 + RCO3 | BR25 | 1.5924E-117| \n| R079 | xMACO3 + NO ----> NO + MACO3 | BR07 | 9.3002E-127| \n| R080 | xMACO3 + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| R081 | xMACO3 + NO3 ----> NO3 + MACO3 | BR09 | 2.3000E-127| \n| R082 | xMACO3 + MEO2 ----> MEO2 + 0.500\\*MACO3 | BR10 | 2.0000E-137| \n| R083 | xMACO3 + RO2C ----> RO2C + 0.500\\*MACO3 | BR11 | 3.5000E-147| \n| R084 | xMACO3 + RO2XC ----> RO2XC + 0.500\\*MACO3 | BR11 | 3.5000E-147| \n| R085 | xMACO3 + MECO3 ----> MECO3 + MACO3 | BR25 | 1.5924E-117| \n| R086 | xMACO3 + RCO3 ----> RCO3 + MACO3 | BR25 | 1.5924E-117| \n| R087 | xMACO3 + BZCO3 ----> BZCO3 + MACO3 | BR25 | 1.5924E-117| \n| R088 | xMACO3 + MACO3 ----> 2.000\\*MACO3 | BR25 | 1.5924E-117| \n| R089 | xTBUO + NO ----> NO + TBUO | BR07 | 9.3002E-127| \n| R090 | xTBUO + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| R091 | xTBUO + NO3 ----> NO3 + TBUO | BR09 | 2.3000E-127| \n| R092 | xTBUO + MEO2 ----> MEO2 + 0.500\\*TBUO | BR10 | 2.0000E-137| \n| R093 | xTBUO + RO2C ----> RO2C + 0.500\\*TBUO | BR11 | 3.5000E-147| \n| R094 | xTBUO + RO2XC ----> RO2XC + 0.500\\*TBUO | BR11 | 3.5000E-147| \n| R095 | xTBUO + MECO3 ----> MECO3 + TBUO | BR25 | 1.5924E-117| \n| R096 | xTBUO + RCO3 ----> RCO3 + TBUO | BR25 | 1.5924E-117| \n| R097 | xTBUO + BZCO3 ----> BZCO3 + TBUO | BR25 | 1.5924E-117| \n| R098 | xTBUO + MACO3 ----> MACO3 + TBUO | BR25 | 1.5924E-117| \n| R099 | xCO + NO ----> NO + CO | BR07 | 9.3002E-127| \n| R100 | xCO + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| R101 | xCO + NO3 ----> NO3 + CO | BR09 | 2.3000E-127| \n| R102 | xCO + MEO2 ----> MEO2 + 0.500\\*CO | BR10 | 2.0000E-137| \n| R103 | xCO + RO2C ----> RO2C + 0.500\\*CO | BR11 | 3.5000E-147| \n| R104 | xCO + RO2XC ----> RO2XC + 0.500\\*CO | BR11 | 3.5000E-147| \n| R105 | xCO + MECO3 ----> MECO3 + CO | BR25 | 1.5924E-117| \n| R106 | xCO + RCO3 ----> RCO3 + CO | BR25 | 1.5924E-117| \n| R107 | xCO + BZCO3 ----> BZCO3 + CO | BR25 | 1.5924E-117| \n| R108 | xCO + MACO3 ----> MACO3 + CO | BR25 | 1.5924E-117| \n| BP01 | HCHO ----> 2.000\\*HO2 + CO | HCHOR_06 | Not Available1 | \n| BP02 | HCHO ----> CO | HCHOM_06 | Not Available1 | \n| BP03 | HCHO + OH ----> HO2 + CO | 5.40E-12e 135.00/T | 8.4926E-12 |\n| BP07 | HCHO + NO3 ----> HNO3 + HO2 + CO | 2.00E-12e -2431.00/T | 5.7539E-16 |\n| BP08 | CCHO + OH ----> MECO3 | 4.40E-12e 365.00/T | 1.4967E-11 |\n| BP09 | CCHO ----> CO + HO2 + MEO2 | CCHO_R | Not Available1 | \n| BP10 | CCHO + NO3 ----> HNO3 + MECO3 | 1.40E-12e -1860.00/T | 2.7340E-15 |\n| BP11 | RCHO + OH ----> 0.965\\*RCO3 + 0.035\\*RO2C + 0.035\\*xHO2 + 0.035\\*xCO + 0.035\\*xCCHO + 0.035\\*yROOH | 5.10E-12e 405.00/T | 1.9838E-11 |\n| BP12 | RCHO ----> RO2C + xHO2 + yROOH + xCCHO + CO + HO2 | C2CHO | Not Available1 | \n| BP13 | RCHO + NO3 ----> HNO3 + RCO3 | 1.40E-12e -1601.00/T | 6.5172E-15 |\n| BP14 | ACETONE + OH ----> RO2C + xMECO3 + xHCHO + yROOH | 4.56E-14e 429.00/T(T/300) 3.65 | 1.8796E-13 |\n| BP15 | ACETONE ----> 0.620\\*MECO3 + 1.380\\*MEO2 + 0.380\\*CO | 5.0000E-01\\*ACET_06 | Not Available1 | \n| BP16 | MEK + OH ----> 0.967\\*RO2C + 0.039\\*RO2XC + 0.039\\*zRNO3 + 0.376\\*xHO2 + 0.510\\*xMECO3 + 0.074\\*xRCO3 + 0.088\\*xHCHO + 0.504\\*xCCHO + 0.376\\*xRCHO + yROOH | 1.30E-12e -25.00/T(T/300) 2.00 | 1.1807E-12 |\n| BP17 | MEK ----> MECO3 + RO2C + xHO2 + xCCHO + yROOH | 1.7500E-01\\*MEK_06 | Not Available1 | \n| BP18 | MEOH + OH ----> HCHO + HO2 | 2.85E-12e -345.00/T | 8.9600E-13 |\n| BP19 | HCOOH + OH ----> HO2 + CO2 | 4.5000E-13 | 4.5000E-13 |\n| BP20 | CCOOH + OH ----> 0.509\\*MEO2 + 0.491\\*RO2C + 0.509\\*CO2 + 0.491\\*xHO2 + 0.491\\*xMGLY + 0.491\\*yROOH | 4.20E-14e 855.00/T | 7.3904E-13 |\n| BP21 | RCOOH + OH ----> RO2C + xHO2 + 0.143\\*CO2 + 0.142\\*xCCHO + 0.400\\*xRCHO + 0.457\\*xBACL + yROOH | 1.2000E-12 | 1.2000E-12 |\n| BP22 | COOH + OH ----> 0.300\\*HCHO + 0.300\\*OH + 0.700\\*MEO2 | 3.80E-12e 200.00/T | 7.4321E-12 |\n| BP23 | COOH ----> HCHO + HO2 + OH | COOH | Not Available1 | \n| BP24 | ROOH + OH ----> 0.744\\*OH + 0.251\\*RO2C + 0.004\\*RO2XC + 0.004\\*zRNO3 + 0.744\\*RCHO + 0.239\\*xHO2 + 0.012\\*xOH + 0.012\\*xHCHO + 0.012\\*xCCHO + 0.205\\*xRCHO + 0.034\\*xPROD2 + 0.256\\*yROOH | 2.5000E-11 | 2.5000E-11 |\n| BP25 | ROOH ----> RCHO + HO2 + OH | COOH | Not Available1 | \n| BP26 | R6OOH + OH ----> 0.840\\*OH + 0.222\\*RO2C + 0.029\\*RO2XC + 0.029\\*zRNO3 + 0.840\\*PRD2 + 0.090\\*xHO2 + 0.041\\*xOH + 0.020\\*xCCHO + 0.075\\*xRCHO + 0.084\\*xPROD2 + 0.160\\*yROOH | 5.6000E-11 | 5.6000E-11 |\n| BP27 | R6OOH ----> OH + 0.142\\*HO2 + 0.782\\*RO2C + 0.077\\*RO2XC + 0.077\\*zRNO3 + 0.085\\*RCHO + 0.142\\*PRD2 + 0.782\\*xHO2 + 0.026\\*xCCHO + 0.058\\*xRCHO + 0.698\\*xPROD2 + 0.858\\*yR6OOH | COOH | Not Available1 | \n| BP28 | RAOOH + OH ----> 0.139\\*OH + 0.148\\*HO2 + 0.589\\*RO2C + 0.124\\*RO2XC + 0.124\\*zRNO3 + 0.074\\*PRD2 + 0.147\\*MGLY + 0.139\\*IPRD + 0.565\\*xHO2 + 0.024\\*xOH + 0.448\\*xRCHO + 0.026\\*xGLY + 0.030\\*xMEK + 0.252\\*xMGLY + 0.073\\*xAFG1 + 0.073\\*xAFG2 + 0.713\\*yR6OOH | 1.4100E-10 | 1.4100E-10 |\n| BP29 | RAOOH ----> OH + HO2 + 0.500\\*GLY + 0.500\\*MGLY + 0.500\\*AFG1 + 0.500\\*AFG2 | COOH | Not Available1 | \n| BP30 | GLY ----> 2.000\\*CO + 2.000\\*HO2 | GLY_07R | Not Available1 | \n| BP31 | GLY ----> HCHO + CO | GLY_07M | Not Available1 | \n| BP32 | GLY + OH ----> 0.700\\*HO2 + 1.400\\*CO + 0.300\\*HCOCO3 | 3.10E-12e 342.20/T | 9.7683E-12 |\n| BP33 | GLY + NO3 ----> HNO3 + 0.700\\*HO2 + 1.400\\*CO + 0.300\\*HCOCO3 | 2.80E-12e -2390.00/T | 9.2429E-16 |\n| BP34 | MGLY ----> HO2 + CO + MECO3 | MGLY_06 | Not Available1 | \n| BP35 | MGLY + OH ----> CO + MECO3 | 1.5000E-11 | 1.5000E-11 |\n| BP36 | MGLY + NO3 ----> HNO3 + CO + MECO3 | 1.40E-12e -1895.00/T | 2.4312E-15 |\n| BP37 | BACL ----> 2.000\\*MECO3 | BACL_07 | Not Available1 | \n| BP38 | CRES + OH ----> 0.200\\*BZO + 0.800\\*RO2C + 0.800\\*xHO2 + 0.800\\*yR6OOH + 0.250\\*xMGLY | 1.70E-12e 950.00/T | 4.1138E-11 |\n| BP39 | CRES + NO3 ----> HNO3 + BZO | 1.4000E-11 | 1.4000E-11 |\n| BP40 | NPHE + OH ----> BZO | 3.5000E-12 | 3.5000E-12 |\n| BP41 | NPHE ----> HONO | 1.5000E-03\\*NO2_06 | Not Available1 | \n| BP42 | NPHE ----> | 1.5000E-02\\*NO2_06 | Not Available1 | \n| BP43 | BALD + OH ----> BZCO3 | 1.2000E-11 | 1.2000E-11 |\n| BP44 | BALD ----> | 6.0000E-02\\*BALD_06 | Not Available1 | \n| BP45 | BALD + NO3 ----> HNO3 + BZCO3 | 1.34E-12e -1860.00/T | 2.6168E-15 |\n| BP46 | AFG1 + OH ----> 0.217\\*MACO3 + 0.723\\*RO2C + 0.060\\*RO2XC + 0.060\\*zRNO3 + 0.521\\*xHO2 + 0.201\\*xMECO3 + 0.334\\*xCO + 0.407\\*xRCHO + 0.129\\*xMEK + 0.107\\*xGLY + 0.267\\*xMGLY + 0.783\\*yR6OOH | 7.4000E-11 | 7.4000E-11 |\n| BP47 | AFG1 + O3 ----> 0.826\\*OH + 0.522\\*HO2 + 0.652\\*RO2C + 0.522\\*CO + 0.174\\*CO2 + 0.432\\*GLY + 0.568\\*MGLY + 0.652\\*xRCO3 + 0.652\\*xHCHO + 0.652\\*yR6OOH | 9.6600E-18 | 9.6600E-18 |\n| BP48 | AFG1 ----> 1.023\\*HO2 + 0.173\\*MEO2 + 0.305\\*MECO3 + 0.500\\*MACO3 + 0.695\\*CO + 0.195\\*GLY + 0.305\\*MGLY | AFG1 | Not Available1 | \n| BP49 | AFG2 + OH ----> 0.217\\*MACO3 + 0.723\\*RO2C + 0.060\\*RO2XC + 0.060\\*zRNO3 + 0.521\\*xHO2 + 0.201\\*xMECO3 + 0.334\\*xCO + 0.407\\*xRCHO + 0.129\\*xMEK + 0.107\\*xGLY + 0.267\\*xMGLY + 0.783\\*yR6OOH | 7.4000E-11 | 7.4000E-11 |\n| BP50 | AFG2 + O3 ----> 0.826\\*OH + 0.522\\*HO2 + 0.652\\*RO2C + 0.522\\*CO + 0.174\\*CO2 + 0.432\\*GLY + 0.568\\*MGLY + 0.652\\*xRCO3 + 0.652\\*xHCHO + 0.652\\*yR6OOH | 9.6600E-18 | 9.6600E-18 |\n| BP51 | AFG2 ----> PRD2 | AFG1 | Not Available1 | \n| BP52 | AFG3 + OH ----> 0.206\\*MACO3 + 0.733\\*RO2C + 0.117\\*RO2XC + 0.117\\*zRNO3 + 0.561\\*xHO2 + 0.117\\*xMECO3 + 0.114\\*xCO + 0.274\\*xGLY + 0.153\\*xMGLY + 0.019\\*xBACL + 0.195\\*xAFG1 + 0.195\\*xAFG2 + 0.231\\*xIPRD + 0.794\\*yR6OOH | 9.3500E-11 | 9.3500E-11 |\n| BP53 | AFG3 + O3 ----> 0.471\\*OH + 0.554\\*HO2 + 0.013\\*MECO3 + 0.258\\*RO2C + 0.007\\*RO2XC + 0.007\\*zRNO3 + 0.580\\*CO + 0.190\\*CO2 + 0.366\\*GLY + 0.184\\*MGLY + 0.350\\*AFG1 + 0.350\\*AFG2 + 0.139\\*AFG3 + 0.003\\*MACR + 0.004\\*MVK + 0.003\\*IPRD + 0.095\\*xHO2 + 0.163\\*xRCO3 + 0.163\\*xHCHO + 0.095\\*xMGLY + 0.264\\*yR6OOH | 1.4300E-17 | 1.4300E-17 |\n| BP54 | MACR + OH ----> 0.500\\*MACO3 + 0.500\\*RO2C + 0.500\\*xHO2 + 0.416\\*xCO + 0.084\\*xHCHO + 0.416\\*xMEK + 0.084\\*xMGLY + 0.500\\*yROOH | 8.00E-12e 380.00/T | 2.8616E-11 |\n| BP55 | MACR + O3 ----> 0.208\\*OH + 0.108\\*HO2 + 0.100\\*RO2C + 0.450\\*CO + 0.117\\*CO2 + 0.100\\*HCHO + 0.900\\*MGLY + 0.333\\*HCOOH + 0.100\\*xRCO3 + 0.100\\*xHCHO + 0.100\\*yROOH | 1.40E-15e -2100.00/T | 1.2224E-18 |\n| BP56 | MACR + NO3 ----> 0.500\\*MACO3 + 0.500\\*RO2C + 0.500\\*HNO3 + 0.500\\*xHO2 + 0.500\\*xCO + 0.500\\*yROOH | 1.50E-12e -1815.00/T | 3.4065E-15 |\n| BP57 | MACR + O3P ----> RCHO | 6.3400E-12 | 6.3400E-12 |\n| BP58 | MACR ----> 0.330\\*OH + 0.670\\*HO2 + 0.340\\*MECO3 + 0.330\\*MACO3 + 0.330\\*RO2C + 0.670\\*CO + 0.340\\*HCHO + 0.330\\*xMECO3 + 0.330\\*xHCHO + 0.330\\*yROOH | MACR_06 | Not Available1 | \n| BP59 | MVK + OH ----> 0.975\\*RO2C + 0.025\\*RO2XC + 0.025\\*zRNO3 + 0.300\\*xHO2 + 0.675\\*xMECO3 + 0.300\\*xHCHO + 0.675\\*xHOCCHO + 0.300\\*xMGLY + yROOH | 2.60E-12e 610.00/T | 2.0115E-11 |\n| BP60 | MVK + O3 ----> 0.164\\*OH + 0.064\\*HO2 + 0.050\\*RO2C + 0.050\\*xHO2 + 0.475\\*CO + 0.124\\*CO2 + 0.050\\*HCHO + 0.950\\*MGLY + 0.351\\*HCOOH + 0.050\\*xRCO3 + 0.050\\*xHCHO + 0.050\\*yROOH | 8.50E-16e -1520.00/T | 5.1921E-18 |\n| BP62 | MVK + O3P ----> 0.450\\*RCHO + 0.550\\*MEK | 4.3200E-12 | 4.3200E-12 |\n| BP63 | MVK ----> 0.400\\*MEO2 + 0.600\\*CO + 0.600\\*PRD2 + 0.400\\*MACO3 | MVK_06 | Not Available1 | \n| BP64 | IPRD + OH ----> 0.289\\*MACO3 + 0.670\\*RO2C + 0.670\\*xHO2 + 0.041\\*RO2XC + 0.041\\*zRNO3 + 0.336\\*xCO + 0.055\\*xHCHO + 0.129\\*xHOCCHO + 0.013\\*xRCHO + 0.150\\*xMEK + 0.332\\*xPROD2 + 0.150\\*xGLY + 0.174\\*xMGLY + 0.711\\*yR6OOH | 6.1900E-11 | 6.1900E-11 |\n| BP65 | IPRD + O3 ----> 0.285\\*OH + 0.400\\*HO2 + 0.048\\*RO2C + 0.048\\*xRCO3 + 0.498\\*CO + 0.140\\*CO2 + 0.124\\*HCHO + 0.210\\*MEK + 0.023\\*GLY + 0.742\\*MGLY + 0.100\\*HCOOH + 0.372\\*RCOOH + 0.047\\*xHOCCHO + 0.001\\*xHCHO + 0.048\\*yR6OOH | 4.1800E-18 | 4.1800E-18 |\n| BP66 | IPRD + NO3 ----> 0.150\\*MACO3 + 0.150\\*HNO3 + 0.799\\*RO2C + 0.799\\*xHO2 + 0.051\\*RO2XC + 0.051\\*zRNO3 + 0.572\\*xCO + 0.227\\*xHCHO + 0.218\\*xRCHO + 0.008\\*xMGLY + 0.572\\*xRNO3 + 0.850\\*yR6OOH | 1.0000E-13 | 1.0000E-13 |\n| BP67 | IPRD ----> 1.233\\*HO2 + 0.467\\*MECO3 + 0.300\\*RCO3 + 1.233\\*CO + 0.300\\*HCHO + 0.467\\*HOCCHO + 0.233\\*MEK | MACR_06 | Not Available1 | \n| BP68 | PRD2 + OH ----> 0.472\\*HO2 + 0.379\\*xHO2 + 0.029\\*xMECO3 + 0.049\\*xRCO3 + 0.473\\*RO2C + 0.071\\*RO2XC + 0.071\\*zRNO3 + 0.002\\*HCHO + 0.211\\*xHCHO + 0.001\\*CCHO + 0.083\\*xCCHO + 0.143\\*RCHO + 0.402\\*xRCHO + 0.115\\*xMEK + 0.329\\*PRD2 + 0.007\\*xPROD2 + 0.528\\*yR6OOH | 1.5500E-11 | 1.5500E-11 |\n| BP69 | PRD2 ----> 0.913\\*xHO2 + 0.400\\*MECO3 + 0.600\\*RCO3 + 1.590\\*RO2C + 0.087\\*RO2XC + 0.087\\*zRNO3 + 0.303\\*xHCHO + 0.163\\*xCCHO + 0.780\\*xRCHO + yR6OOH | 4.8600E-03\\*MEK_06 | Not Available1 | \n| BP70 | RNO3 + OH ----> 0.189\\*HO2 + 0.305\\*xHO2 + 0.019\\*NO2 + 0.313\\*xNO2 + 0.976\\*RO2C + 0.175\\*RO2XC + 0.175\\*zRNO3 + 0.011\\*xHCHO + 0.429\\*xCCHO + 0.001\\*RCHO + 0.036\\*xRCHO + 0.004\\*xACETONE + 0.010\\*MEK + 0.170\\*xMEK + 0.008\\*PRD2 + 0.031\\*xPROD2 + 0.189\\*RNO3 + 0.305\\*xRNO3 + 0.157\\*yROOH + 0.636\\*yR6OOH | 7.2000E-12 | 7.2000E-12 |\n| BP71 | RNO3 ----> 0.344\\*HO2 + 0.554\\*xHO2 + NO2 + 0.721\\*RO2C + 0.102\\*RO2XC + 0.102\\*zRNO3 + 0.074\\*HCHO + 0.061\\*xHCHO + 0.214\\*CCHO + 0.230\\*xCCHO + 0.074\\*RCHO + 0.063\\*xRCHO + 0.008\\*xACETONE + 0.124\\*MEK + 0.083\\*xMEK + 0.190\\*PRD2 + 0.261\\*xPROD2 + 0.066\\*yROOH + 0.591\\*yR6OOH | IC3ONO2 | Not Available1 | \n| BP72 | HOCCHO + OH ----> MECO3 | BP08 | 1.4967E-117| \n| BP73 | HOCCHO ----> CO + 2.000\\*HO2 + HCHO | HOCCHO_IUPAC | Not Available1 | \n| BP74 | HOCCHO + NO3 ----> HNO3 + MECO3 | BP10 | 2.7340E-157| \n| BP75 | ACROLEIN + OH ----> 0.250\\*xHO2 + 0.750\\*MACO3 + 0.250\\*RO2C + 0.167\\*xCO + 0.083\\*xHCHO + 0.167\\*xCCHO + 0.083\\*xGLY + 0.250\\*yROOH | 1.9900E-11 | 1.9900E-11 |\n| BP76 | ACROLEIN + O3 ----> 0.830\\*HO2 + 0.330\\*OH + 1.005\\*CO + 0.310\\*CO2 + 0.500\\*HCHO + 0.185\\*HCOOH + 0.500\\*GLY | 1.40E-15e -2528.00/T | 2.9091E-19 |\n| BP77 | ACROLEIN + NO3 ----> 0.031\\*xHO2 + 0.967\\*MACO3 + 0.031\\*RO2C + 0.002\\*RO2XC + 0.002\\*zRNO3 + 0.967\\*HNO3 + 0.031\\*xCO + 0.031\\*xRNO3 + 0.033\\*yROOH | 1.1800E-15 | 1.1800E-15 |\n| BP78 | ACROLEIN + O3P ----> RCHO | 2.3700E-12 | 2.3700E-12 |\n| BP79 | ACROLEIN ----> 1.066\\*HO2 + 0.178\\*OH + 0.234\\*MEO2 + 0.330\\*MACO3 + 1.188\\*CO + 0.102\\*CO2 + 0.340\\*HCHO + 0.050\\*CCOOH | ACRO_09 | Not Available1 | \n| BP80 | CCOOOH + OH ----> 0.980\\*MECO3 + 0.020\\*RO2C + 0.020\\*CO2 + 0.020\\*xOH + 0.020\\*xHCHO + 0.020\\*yROOH | 5.2800E-12 | 5.2800E-12 |\n| BP81 | CCOOOH ----> MEO2 + CO2 + OH | PAA | Not Available1 | \n| BP82 | RCOOOH + OH ----> 0.806\\*RCO3 + 0.194\\*RO2C + 0.194\\*yROOH + 0.110\\*CO2 + 0.110\\*xOH + 0.110\\*xCCHO + 0.084\\*xHO2 + 0.084\\*xRCHO | 6.4200E-12 | 6.4200E-12 |\n| BP83 | RCOOOH ----> xHO2 + xCCHO + yROOH + CO2 + OH | PAA | Not Available1 | \n| BP84 | HCOCO3 + NO ----> HO2 + CO + CO2 + NO2 | BR31 | 2.0957E-117| \n| BP85 | HCOCO3 + NO2 ----> HO2 + CO + CO2 + NO3 | BR28 | 1.2180E-117| \n| BP86 | HCOCO3 + HO2 ----> 0.440\\*OH + 0.440\\*HO2 + 0.440\\*CO + 0.440\\*CO2 + 0.560\\*GLY + 0.150\\*O3 | BR22 | 1.3916E-117| \n| P001 | xHCHO + NO ----> NO + HCHO | BR07 | 9.3002E-127| \n| P002 | xHCHO + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| P003 | xHCHO + NO3 ----> NO3 + HCHO | BR09 | 2.3000E-127| \n| P004 | xHCHO + MEO2 ----> MEO2 + 0.500\\*HCHO | BR10 | 2.0000E-137| \n| P005 | xHCHO + RO2C ----> RO2C + 0.500\\*HCHO | BR11 | 3.5000E-147| \n| P006 | xHCHO + RO2XC ----> RO2XC + 0.500\\*HCHO | BR11 | 3.5000E-147| \n| P007 | xHCHO + MECO3 ----> MECO3 + HCHO | BR25 | 1.5924E-117| \n| P008 | xHCHO + RCO3 ----> RCO3 + HCHO | BR25 | 1.5924E-117| \n| P009 | xHCHO + BZCO3 ----> BZCO3 + HCHO | BR25 | 1.5924E-117| \n| P010 | xHCHO + MACO3 ----> MACO3 + HCHO | BR25 | 1.5924E-117| \n| P011 | xCCHO + NO ----> NO + CCHO | BR07 | 9.3002E-127| \n| P012 | xCCHO + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| P013 | xCCHO + NO3 ----> NO3 + CCHO | BR09 | 2.3000E-127| \n| P014 | xCCHO + MEO2 ----> MEO2 + 0.500\\*CCHO | BR10 | 2.0000E-137| \n| P015 | xCCHO + RO2C ----> RO2C + 0.500\\*CCHO | BR11 | 3.5000E-147| \n| P016 | xCCHO + RO2XC ----> RO2XC + 0.500\\*CCHO | BR11 | 3.5000E-147| \n| P017 | xCCHO + MECO3 ----> MECO3 + CCHO | BR25 | 1.5924E-117| \n| P018 | xCCHO + RCO3 ----> RCO3 + CCHO | BR25 | 1.5924E-117| \n| P019 | xCCHO + BZCO3 ----> BZCO3 + CCHO | BR25 | 1.5924E-117| \n| P020 | xCCHO + MACO3 ----> MACO3 + CCHO | BR25 | 1.5924E-117| \n| P021 | xRCHO + NO ----> NO + RCHO | BR07 | 9.3002E-127| \n| P022 | xRCHO + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| P023 | xRCHO + NO3 ----> NO3 + RCHO | BR09 | 2.3000E-127| \n| P024 | xRCHO + MEO2 ----> MEO2 + 0.500\\*RCHO | BR10 | 2.0000E-137| \n| P025 | xRCHO + RO2C ----> RO2C + 0.500\\*RCHO | BR11 | 3.5000E-147| \n| P026 | xRCHO + RO2XC ----> RO2XC + 0.500\\*RCHO | BR11 | 3.5000E-147| \n| P027 | xRCHO + MECO3 ----> MECO3 + RCHO | BR25 | 1.5924E-117| \n| P028 | xRCHO + RCO3 ----> RCO3 + RCHO | BR25 | 1.5924E-117| \n| P029 | xRCHO + BZCO3 ----> BZCO3 + RCHO | BR25 | 1.5924E-117| \n| P030 | xRCHO + MACO3 ----> MACO3 + RCHO | BR25 | 1.5924E-117| \n| P031 | xACETONE + NO ----> NO + ACETONE | BR07 | 9.3002E-127| \n| P032 | xACETONE + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| P033 | xACETONE + NO3 ----> NO3 + ACETONE | BR09 | 2.3000E-127| \n| P034 | xACETONE + MEO2 ----> MEO2 + 0.500\\*ACETONE | BR10 | 2.0000E-137| \n| P035 | xACETONE + RO2C ----> RO2C + 0.500\\*ACETONE | BR11 | 3.5000E-147| \n| P036 | xACETONE + RO2XC ----> RO2XC + 0.500\\*ACETONE | BR11 | 3.5000E-147| \n| P037 | xACETONE + MECO3 ----> MECO3 + ACETONE | BR25 | 1.5924E-117| \n| P038 | xACETONE + RCO3 ----> RCO3 + ACETONE | BR25 | 1.5924E-117| \n| P039 | xACETONE + BZCO3 ----> BZCO3 + ACETONE | BR25 | 1.5924E-117| \n| P040 | xACETONE + MACO3 ----> MACO3 + ACETONE | BR25 | 1.5924E-117| \n| P041 | xMEK + NO ----> NO + MEK | BR07 | 9.3002E-127| \n| P042 | xMEK + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| P043 | xMEK + NO3 ----> NO3 + MEK | BR09 | 2.3000E-127| \n| P044 | xMEK + MEO2 ----> MEO2 + 0.500\\*MEK | BR10 | 2.0000E-137| \n| P045 | xMEK + RO2C ----> RO2C + 0.500\\*MEK | BR11 | 3.5000E-147| \n| P046 | xMEK + RO2XC ----> RO2XC + 0.500\\*MEK | BR11 | 3.5000E-147| \n| P047 | xMEK + MECO3 ----> MECO3 + MEK | BR25 | 1.5924E-117| \n| P048 | xMEK + RCO3 ----> RCO3 + MEK | BR25 | 1.5924E-117| \n| P049 | xMEK + BZCO3 ----> BZCO3 + MEK | BR25 | 1.5924E-117| \n| P050 | xMEK + MACO3 ----> MACO3 + MEK | BR25 | 1.5924E-117| \n| P051 | xPROD2 + NO ----> NO + PRD2 | BR07 | 9.3002E-127| \n| P052 | xPROD2 + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| P053 | xPROD2 + NO3 ----> NO3 + PRD2 | BR09 | 2.3000E-127| \n| P054 | xPROD2 + MEO2 ----> MEO2 + 0.500\\*PRD2 | BR10 | 2.0000E-137| \n| P055 | xPROD2 + RO2C ----> RO2C + 0.500\\*PRD2 | BR11 | 3.5000E-147| \n| P056 | xPROD2 + RO2XC ----> RO2XC + 0.500\\*PRD2 | BR11 | 3.5000E-147| \n| P057 | xPROD2 + MECO3 ----> MECO3 + PRD2 | BR25 | 1.5924E-117| \n| P058 | xPROD2 + RCO3 ----> RCO3 + PRD2 | BR25 | 1.5924E-117| \n| P059 | xPROD2 + BZCO3 ----> BZCO3 + PRD2 | BR25 | 1.5924E-117| \n| P060 | xPROD2 + MACO3 ----> MACO3 + PRD2 | BR25 | 1.5924E-117| \n| P061 | xGLY + NO ----> NO + GLY | BR07 | 9.3002E-127| \n| P062 | xGLY + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| P063 | xGLY + NO3 ----> NO3 + GLY | BR09 | 2.3000E-127| \n| P064 | xGLY + MEO2 ----> MEO2 + 0.500\\*GLY | BR10 | 2.0000E-137| \n| P065 | xGLY + RO2C ----> RO2C + 0.500\\*GLY | BR11 | 3.5000E-147| \n| P066 | xGLY + RO2XC ----> RO2XC + 0.500\\*GLY | BR11 | 3.5000E-147| \n| P067 | xGLY + MECO3 ----> MECO3 + GLY | BR25 | 1.5924E-117| \n| P068 | xGLY + RCO3 ----> RCO3 + GLY | BR25 | 1.5924E-117| \n| P069 | xGLY + BZCO3 ----> BZCO3 + GLY | BR25 | 1.5924E-117| \n| P070 | xGLY + MACO3 ----> MACO3 + GLY | BR25 | 1.5924E-117| \n| P071 | xMGLY + NO ----> NO + MGLY | BR07 | 9.3002E-127| \n| P072 | xMGLY + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| P073 | xMGLY + NO3 ----> NO3 + MGLY | BR09 | 2.3000E-127| \n| P074 | xMGLY + MEO2 ----> MEO2 + 0.500\\*MGLY | BR10 | 2.0000E-137| \n| P075 | xMGLY + RO2C ----> RO2C + 0.500\\*MGLY | BR11 | 3.5000E-147| \n| P076 | xMGLY + RO2XC ----> RO2XC + 0.500\\*MGLY | BR11 | 3.5000E-147| \n| P077 | xMGLY + MECO3 ----> MECO3 + MGLY | BR25 | 1.5924E-117| \n| P078 | xMGLY + RCO3 ----> RCO3 + MGLY | BR25 | 1.5924E-117| \n| P079 | xMGLY + BZCO3 ----> BZCO3 + MGLY | BR25 | 1.5924E-117| \n| P080 | xMGLY + MACO3 ----> MACO3 + MGLY | BR25 | 1.5924E-117| \n| P081 | xBACL + NO ----> NO + BACL | BR07 | 9.3002E-127| \n| P082 | xBACL + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| P083 | xBACL + NO3 ----> NO3 + BACL | BR09 | 2.3000E-127| \n| P084 | xBACL + MEO2 ----> MEO2 + 0.500\\*BACL | BR10 | 2.0000E-137| \n| P085 | xBACL + RO2C ----> RO2C + 0.500\\*BACL | BR11 | 3.5000E-147| \n| P086 | xBACL + RO2XC ----> RO2XC + 0.500\\*BACL | BR11 | 3.5000E-147| \n| P087 | xBACL + MECO3 ----> MECO3 + BACL | BR25 | 1.5924E-117| \n| P088 | xBACL + RCO3 ----> RCO3 + BACL | BR25 | 1.5924E-117| \n| P089 | xBACL + BZCO3 ----> BZCO3 + BACL | BR25 | 1.5924E-117| \n| P090 | xBACL + MACO3 ----> MACO3 + BACL | BR25 | 1.5924E-117| \n| P091 | xBALD + NO ----> NO + BALD | BR07 | 9.3002E-127| \n| P092 | xBALD + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| P093 | xBALD + NO3 ----> NO3 + BALD | BR09 | 2.3000E-127| \n| P094 | xBALD + MEO2 ----> MEO2 + 0.500\\*BALD | BR10 | 2.0000E-137| \n| P095 | xBALD + RO2C ----> RO2C + 0.500\\*BALD | BR11 | 3.5000E-147| \n| P096 | xBALD + RO2XC ----> RO2XC + 0.500\\*BALD | BR11 | 3.5000E-147| \n| P097 | xBALD + MECO3 ----> MECO3 + BALD | BR25 | 1.5924E-117| \n| P098 | xBALD + RCO3 ----> RCO3 + BALD | BR25 | 1.5924E-117| \n| P099 | xBALD + BZCO3 ----> BZCO3 + BALD | BR25 | 1.5924E-117| \n| P100 | xBALD + MACO3 ----> MACO3 + BALD | BR25 | 1.5924E-117| \n| P101 | xAFG1 + NO ----> NO + AFG1 | BR07 | 9.3002E-127| \n| P102 | xAFG1 + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| P103 | xAFG1 + NO3 ----> NO3 + AFG1 | BR09 | 2.3000E-127| \n| P104 | xAFG1 + MEO2 ----> MEO2 + 0.500\\*AFG1 | BR10 | 2.0000E-137| \n| P105 | xAFG1 + RO2C ----> RO2C + 0.500\\*AFG1 | BR11 | 3.5000E-147| \n| P106 | xAFG1 + RO2XC ----> RO2XC + 0.500\\*AFG1 | BR11 | 3.5000E-147| \n| P107 | xAFG1 + MECO3 ----> MECO3 + AFG1 | BR25 | 1.5924E-117| \n| P108 | xAFG1 + RCO3 ----> RCO3 + AFG1 | BR25 | 1.5924E-117| \n| P109 | xAFG1 + BZCO3 ----> BZCO3 + AFG1 | BR25 | 1.5924E-117| \n| P110 | xAFG1 + MACO3 ----> MACO3 + AFG1 | BR25 | 1.5924E-117| \n| P111 | xAFG2 + NO ----> NO + AFG2 | BR07 | 9.3002E-127| \n| P112 | xAFG2 + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| P113 | xAFG2 + NO3 ----> NO3 + AFG2 | BR09 | 2.3000E-127| \n| P114 | xAFG2 + MEO2 ----> MEO2 + 0.500\\*AFG2 | BR10 | 2.0000E-137| \n| P115 | xAFG2 + RO2C ----> RO2C + 0.500\\*AFG2 | BR11 | 3.5000E-147| \n| P116 | xAFG2 + RO2XC ----> RO2XC + 0.500\\*AFG2 | BR11 | 3.5000E-147| \n| P117 | xAFG2 + MECO3 ----> MECO3 + AFG2 | BR25 | 1.5924E-117| \n| P118 | xAFG2 + RCO3 ----> RCO3 + AFG2 | BR25 | 1.5924E-117| \n| P119 | xAFG2 + BZCO3 ----> BZCO3 + AFG2 | BR25 | 1.5924E-117| \n| P120 | xAFG2 + MACO3 ----> MACO3 + AFG2 | BR25 | 1.5924E-117| \n| P121 | xAFG3 + NO ----> NO + AFG3 | BR07 | 9.3002E-127| \n| P122 | xAFG3 + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| P123 | xAFG3 + NO3 ----> NO3 + AFG3 | BR09 | 2.3000E-127| \n| P124 | xAFG3 + MEO2 ----> MEO2 + 0.500\\*AFG3 | BR10 | 2.0000E-137| \n| P125 | xAFG3 + RO2C ----> RO2C + 0.500\\*AFG3 | BR11 | 3.5000E-147| \n| P126 | xAFG3 + RO2XC ----> RO2XC + 0.500\\*AFG3 | BR11 | 3.5000E-147| \n| P127 | xAFG3 + MECO3 ----> MECO3 + AFG3 | BR25 | 1.5924E-117| \n| P128 | xAFG3 + RCO3 ----> RCO3 + AFG3 | BR25 | 1.5924E-117| \n| P129 | xAFG3 + BZCO3 ----> BZCO3 + AFG3 | BR25 | 1.5924E-117| \n| P130 | xAFG3 + MACO3 ----> MACO3 + AFG3 | BR25 | 1.5924E-117| \n| P131 | xMACR + NO ----> NO + MACR | BR07 | 9.3002E-127| \n| P132 | xMACR + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| P133 | xMACR + NO3 ----> NO3 + MACR | BR09 | 2.3000E-127| \n| P134 | xMACR + MEO2 ----> MEO2 + 0.500\\*MACR | BR10 | 2.0000E-137| \n| P135 | xMACR + RO2C ----> RO2C + 0.500\\*MACR | BR11 | 3.5000E-147| \n| P136 | xMACR + RO2XC ----> RO2XC + 0.500\\*MACR | BR11 | 3.5000E-147| \n| P137 | xMACR + MECO3 ----> MECO3 + MACR | BR25 | 1.5924E-117| \n| P138 | xMACR + RCO3 ----> RCO3 + MACR | BR25 | 1.5924E-117| \n| P139 | xMACR + BZCO3 ----> BZCO3 + MACR | BR25 | 1.5924E-117| \n| P140 | xMACR + MACO3 ----> MACO3 + MACR | BR25 | 1.5924E-117| \n| P141 | xMVK + NO ----> NO + MVK | BR07 | 9.3002E-127| \n| P142 | xMVK + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| P143 | xMVK + NO3 ----> NO3 + MVK | BR09 | 2.3000E-127| \n| P144 | xMVK + MEO2 ----> MEO2 + 0.500\\*MVK | BR10 | 2.0000E-137| \n| P145 | xMVK + RO2C ----> RO2C + 0.500\\*MVK | BR11 | 3.5000E-147| \n| P146 | xMVK + RO2XC ----> RO2XC + 0.500\\*MVK | BR11 | 3.5000E-147| \n| P147 | xMVK + MECO3 ----> MECO3 + MVK | BR25 | 1.5924E-117| \n| P148 | xMVK + RCO3 ----> RCO3 + MVK | BR25 | 1.5924E-117| \n| P149 | xMVK + BZCO3 ----> BZCO3 + MVK | BR25 | 1.5924E-117| \n| P150 | xMVK + MACO3 ----> MACO3 + MVK | BR25 | 1.5924E-117| \n| P151 | xIPRD + NO ----> NO + IPRD | BR07 | 9.3002E-127| \n| P152 | xIPRD + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| P153 | xIPRD + NO3 ----> NO3 + IPRD | BR09 | 2.3000E-127| \n| P154 | xIPRD + MEO2 ----> MEO2 + 0.500\\*IPRD | BR10 | 2.0000E-137| \n| P155 | xIPRD + RO2C ----> RO2C + 0.500\\*IPRD | BR11 | 3.5000E-147| \n| P156 | xIPRD + RO2XC ----> RO2XC + 0.500\\*IPRD | BR11 | 3.5000E-147| \n| P157 | xIPRD + MECO3 ----> MECO3 + IPRD | BR25 | 1.5924E-117| \n| P158 | xIPRD + RCO3 ----> RCO3 + IPRD | BR25 | 1.5924E-117| \n| P159 | xIPRD + BZCO3 ----> BZCO3 + IPRD | BR25 | 1.5924E-117| \n| P160 | xIPRD + MACO3 ----> MACO3 + IPRD | BR25 | 1.5924E-117| \n| P161 | xRNO3 + NO ----> NO + RNO3 | BR07 | 9.3002E-127| \n| P162 | xRNO3 + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| P163 | xRNO3 + NO3 ----> NO3 + RNO3 | BR09 | 2.3000E-127| \n| P164 | xRNO3 + MEO2 ----> MEO2 + 0.500\\*RNO3 | BR10 | 2.0000E-137| \n| P165 | xRNO3 + RO2C ----> RO2C + 0.500\\*RNO3 | BR11 | 3.5000E-147| \n| P166 | xRNO3 + RO2XC ----> RO2XC + 0.500\\*RNO3 | BR11 | 3.5000E-147| \n| P167 | xRNO3 + MECO3 ----> MECO3 + RNO3 | BR25 | 1.5924E-117| \n| P168 | xRNO3 + RCO3 ----> RCO3 + RNO3 | BR25 | 1.5924E-117| \n| P169 | xRNO3 + BZCO3 ----> BZCO3 + RNO3 | BR25 | 1.5924E-117| \n| P170 | xRNO3 + MACO3 ----> MACO3 + RNO3 | BR25 | 1.5924E-117| \n| P171 | yROOH + NO ----> NO | BR07 | 9.3002E-127| \n| P172 | yROOH + HO2 ----> HO2 + ROOH | BR08 | 7.7759E-127| \n| P173 | yROOH + NO3 ----> NO3 | BR09 | 2.3000E-127| \n| P174 | yROOH + MEO2 ----> MEO2 + 0.500\\*MEK | BR10 | 2.0000E-137| \n| P175 | yROOH + RO2C ----> RO2C + 0.500\\*MEK | BR11 | 3.5000E-147| \n| P176 | yROOH + RO2XC ----> RO2XC + 0.500\\*MEK | BR11 | 3.5000E-147| \n| P177 | yROOH + MECO3 ----> MECO3 | BR25 | 1.5924E-117| \n| P178 | yROOH + RCO3 ----> RCO3 | BR25 | 1.5924E-117| \n| P179 | yROOH + BZCO3 ----> BZCO3 | BR25 | 1.5924E-117| \n| P180 | yROOH + MACO3 ----> MACO3 | BR25 | 1.5924E-117| \n| P181 | yR6OOH + NO ----> NO | BR07 | 9.3002E-127| \n| P182 | yR6OOH + HO2 ----> HO2 + R6OOH | BR08 | 7.7759E-127| \n| P183 | yR6OOH + NO3 ----> NO3 | BR09 | 2.3000E-127| \n| P184 | yR6OOH + MEO2 ----> MEO2 + 0.500\\*PRD2 | BR10 | 2.0000E-137| \n| P185 | yR6OOH + RO2C ----> RO2C + 0.500\\*PRD2 | BR11 | 3.5000E-147| \n| P186 | yR6OOH + RO2XC ----> RO2XC + 0.500\\*PRD2 | BR11 | 3.5000E-147| \n| P187 | yR6OOH + MECO3 ----> MECO3 | BR25 | 1.5924E-117| \n| P188 | yR6OOH + RCO3 ----> RCO3 | BR25 | 1.5924E-117| \n| P189 | yR6OOH + BZCO3 ----> BZCO3 | BR25 | 1.5924E-117| \n| P190 | yR6OOH + MACO3 ----> MACO3 | BR25 | 1.5924E-117| \n| P181a | yISOPOOH + NO ----> NO | BR07 | 9.3002E-127| \n| P182a | yISOPOOH + HO2 ----> HO2 + ISOPOOH | BR08 | 7.7759E-127| \n| P183a | yISOPOOH + NO3 ----> NO3 | BR09 | 2.3000E-127| \n| P184a | yISOPOOH + MEO2 ----> MEO2 + 0.500\\*PRD2 | BR10 | 2.0000E-137| \n| P185a | yISOPOOH + RO2C ----> RO2C + 0.500\\*PRD2 | BR11 | 3.5000E-147| \n| P186a | yISOPOOH + RO2XC ----> RO2XC + 0.500\\*PRD2 | BR11 | 3.5000E-147| \n| P187a | yISOPOOH + MECO3 ----> MECO3 | BR25 | 1.5924E-117| \n| P188a | yISOPOOH + RCO3 ----> RCO3 | BR25 | 1.5924E-117| \n| P189a | yISOPOOH + BZCO3 ----> BZCO3 | BR25 | 1.5924E-117| \n| P190a | yISOPOOH + MACO3 ----> MACO3 | BR25 | 1.5924E-117| \n| P191 | yRAOOH + NO ----> NO | BR07 | 9.3002E-127| \n| P192 | yRAOOH + HO2 ----> HO2 + RAOOH | BR08 | 7.7759E-127| \n| P193 | yRAOOH + NO3 ----> NO3 | BR09 | 2.3000E-127| \n| P194 | yRAOOH + MEO2 ----> MEO2 + 0.500\\*PRD2 | BR10 | 2.0000E-137| \n| P195 | yRAOOH + RO2C ----> RO2C + 0.500\\*PRD2 | BR11 | 3.5000E-147| \n| P196 | yRAOOH + RO2XC ----> RO2XC + 0.500\\*PRD2 | BR11 | 3.5000E-147| \n| P197 | yRAOOH + MECO3 ----> MECO3 | BR25 | 1.5924E-117| \n| P198 | yRAOOH + RCO3 ----> RCO3 | BR25 | 1.5924E-117| \n| P199 | yRAOOH + BZCO3 ----> BZCO3 | BR25 | 1.5924E-117| \n| P200 | yRAOOH + MACO3 ----> MACO3 | BR25 | 1.5924E-117| \n| P201 | zRNO3 + NO ----> NO + RNO3 | BR07 | 9.3002E-127| \n| P202 | zRNO3 + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| P203 | zRNO3 + NO3 ----> NO3 + PRD2 + HO2 | BR09 | 2.3000E-127| \n| P204 | zRNO3 + MEO2 ----> MEO2 + 0.500\\*PRD2 + 0.500\\*HO2 | BR10 | 2.0000E-137| \n| P205 | zRNO3 + RO2C ----> RO2C + 0.500\\*PRD2 + 0.500\\*HO2 | BR11 | 3.5000E-147| \n| P206 | zRNO3 + RO2XC ----> RO2XC + 0.500\\*PRD2 + 0.500\\*HO2 | BR11 | 3.5000E-147| \n| P207 | zRNO3 + MECO3 ----> MECO3 + PRD2 + HO2 | BR25 | 1.5924E-117| \n| P208 | zRNO3 + RCO3 ----> RCO3 + PRD2 + HO2 | BR25 | 1.5924E-117| \n| P209 | zRNO3 + BZCO3 ----> BZCO3 + PRD2 + HO2 | BR25 | 1.5924E-117| \n| P210 | zRNO3 + MACO3 ----> MACO3 + PRD2 + HO2 | BR25 | 1.5924E-117| \n| P211 | xHOCCHO + NO ----> NO + HOCCHO | BR07 | 9.3002E-127| \n| P212 | xHOCCHO + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| P213 | xHOCCHO + NO3 ----> NO3 + HOCCHO | BR09 | 2.3000E-127| \n| P214 | xHOCCHO + MEO2 ----> MEO2 + 0.500\\*HOCCHO | BR10 | 2.0000E-137| \n| P215 | xHOCCHO + RO2C ----> RO2C + 0.500\\*HOCCHO | BR11 | 3.5000E-147| \n| P216 | xHOCCHO + RO2XC ----> RO2XC + 0.500\\*HOCCHO | BR11 | 3.5000E-147| \n| P217 | xHOCCHO + MECO3 ----> MECO3 + HOCCHO | BR25 | 1.5924E-117| \n| P218 | xHOCCHO + RCO3 ----> RCO3 + HOCCHO | BR25 | 1.5924E-117| \n| P219 | xHOCCHO + BZCO3 ----> BZCO3 + HOCCHO | BR25 | 1.5924E-117| \n| P220 | xHOCCHO + MACO3 ----> MACO3 + HOCCHO | BR25 | 1.5924E-117| \n| P221 | xACROLEIN + NO ----> NO + ACROLEIN | BR07 | 9.3002E-127| \n| P222 | xACROLEIN + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| P223 | xACROLEIN + NO3 ----> NO3 + ACROLEIN | BR09 | 2.3000E-127| \n| P224 | xACROLEIN + MEO2 ----> MEO2 + 0.500\\*ACROLEIN | BR10 | 2.0000E-137| \n| P225 | xACROLEIN + RO2C ----> RO2C + 0.500\\*ACROLEIN | BR11 | 3.5000E-147| \n| P226 | xACROLEIN + RO2XC ----> RO2XC + 0.500\\*ACROLEIN | BR11 | 3.5000E-147| \n| P227 | xACROLEIN + MECO3 ----> MECO3 + ACROLEIN | BR25 | 1.5924E-117| \n| P228 | xACROLEIN + RCO3 ----> RCO3 + ACROLEIN | BR25 | 1.5924E-117| \n| P229 | xACROLEIN + BZCO3 ----> BZCO3 + ACROLEIN | BR25 | 1.5924E-117| \n| P230 | xACROLEIN + MACO3 ----> MACO3 + ACROLEIN | BR25 | 1.5924E-117| \n| BE01 | OH + CH4 ----> MEO2 | 1.85E-12e -1690.00/T | 6.3895E-15 |\n| BE02 | ETHENE + OH ----> xHO2 + RO2C + 1.610\\*xHCHO + 0.195\\*xHOCCHO + yROOH | ko= 1.00E-28e 0.0/T(T/300) -4.50
ki = 8.80E-12e 0.0/T(T/300) -0.85
n= 1.00;F= 0.60 | 8.1981E-12 |\n| BE03 | ETHENE + O3 ----> 0.160\\*HO2 + 0.160\\*OH + 0.510\\*CO + 0.120\\*CO2 + HCHO + 0.370\\*HCOOH | 9.14E-15e -2580.00/T | 1.5953E-18 |\n| BE04 | ETHENE + NO3 ----> xHO2 + RO2C + xRCHO + yROOH | 3.30E-12e -2880.00/T | 2.1058E-16 |\n| BE05 | ETHENE + O3P ----> 0.800\\*HO2 + 0.290\\*xHO2 + 0.510\\*MEO2 + 0.290\\*RO2C + 0.510\\*CO + 0.278\\*xCO + 0.278\\*xHCHO + 0.100\\*CCHO + 0.012\\*xGLY + 0.290\\*yROOH | 1.07E-11e -800.00/T | 7.3127E-13 |\n| BT01 | PROPENE + OH ----> 0.984\\*xHO2 + 0.984\\*RO2C + 0.016\\*RO2XC + 0.016\\*zRNO3 + 0.984\\*xHCHO + 0.984\\*xCCHO + yROOH | 4.85E-12e 504.00/T | 2.6296E-11 |\n| BT02 | PROPENE + O3 ----> 0.165\\*HO2 + 0.350\\*OH + 0.355\\*MEO2 + 0.525\\*CO + 0.215\\*CO2 + 0.500\\*HCHO + 0.500\\*CCHO + 0.185\\*HCOOH + 0.075\\*CCOOH | 5.51E-15e -1878.00/T | 1.0130E-17 |\n| BT03 | PROPENE + NO3 ----> 0.949\\*xHO2 + 0.949\\*RO2C + 0.051\\*RO2XC + 0.051\\*zRNO3 + yROOH | 4.59E-13e -1156.00/T | 9.5049E-15 |\n| BT04 | PROPENE + O3P ----> 0.450\\*RCHO + 0.550\\*MEK | 1.02E-11e -280.00/T | 3.9879E-12 |\n| BT05 | BUTADIENE13 + OH ----> 0.951\\*xHO2 + 1.189\\*RO2C + 0.049\\*RO2XC + 0.049\\*zRNO3 + 0.708\\*xHCHO + 0.480\\*xACROLEIN + 0.471\\*xIPRD + yROOH | 1.48E-11e 448.00/T | 6.6502E-11 |\n| BT06 | BUTADIENE13 + O3 ----> 0.080\\*HO2 + 0.080\\*OH + 0.255\\*CO + 0.185\\*CO2 + 0.500\\*HCHO + 0.185\\*HCOOH + 0.500\\*ACROLEIN + 0.375\\*MVK + 0.125\\*PRD2 | 1.34E-14e -2283.00/T | 6.3331E-18 |\n| BT07 | BUTADIENE13 + NO3 ----> 0.815\\*xHO2 + 0.120\\*xNO2 + 1.055\\*RO2C + 0.065\\*RO2XC + 0.065\\*zRNO3 + 0.115\\*xHCHO + 0.460\\*xMVK + 0.120\\*xIPRD + 0.355\\*xRNO3 + yROOH | 1.0000E-13 | 1.0000E-13 |\n| BT08 | BUTADIENE13 + O3P ----> 0.250\\*HO2 + 0.117\\*xHO2 + 0.118\\*xMACO3 + 0.235\\*RO2C + 0.015\\*RO2XC + 0.015\\*zRNO3 + 0.115\\*xCO + 0.115\\*xACROLEIN + 0.001\\*xAFG1 + 0.001\\*xAFG2 + 0.750\\*PRD2 + 0.250\\*yROOH | 2.26E-11e -40.00/T | 1.9763E-11 |\n| BE06 | ISOPRENE + OH ----> 0.907\\*xHO2 + 0.986\\*RO2C + 0.093\\*RO2XC + 0.093\\*zRNO3 + 0.624\\*xHCHO + 0.230\\*xMACR + 0.320\\*xMVK + 0.357\\*xIPRD + yISOPOOH + ISOPRXN | 2.54E-11e 410.00/T | 1.0047E-10 |\n| BE07 | ISOPRENE + O3 ----> 0.066\\*HO2 + 0.266\\*OH + 0.192\\*xMACO3 + 0.192\\*RO2C + 0.008\\*RO2XC + 0.008\\*zRNO3 + 0.275\\*CO + 0.122\\*CO2 + 0.400\\*HCHO + 0.192\\*xHCHO + 0.204\\*HCOOH + 0.390\\*MACR + 0.160\\*MVK + 0.150\\*IPRD + 0.100\\*PRD2 + 0.200\\*yR6OOH | 7.86E-15e -1912.00/T | 1.2893E-17 |\n| BE08 | ISOPRENE + NO3 ----> 0.749\\*xHO2 + 0.187\\*xNO2 + 0.936\\*RO2C + 0.064\\*RO2XC + 0.064\\*zRNO3 + 0.936\\*xIPRD + yR6OOH + ISOPRXN | 3.03E-12e -448.00/T | 6.7433E-13 |\n| BE09 | ISOPRENE + O3P ----> 0.250\\*MEO2 + 0.240\\*xMACO3 + 0.240\\*RO2C + 0.010\\*RO2XC + 0.010\\*zRNO3 + 0.240\\*xHCHO + 0.750\\*PRD2 + 0.250\\*yR6OOH | 3.5000E-11 | 3.5000E-11 |\n| IS88 | ISOPOOH + OH ----> IEPOX + OH | 1.90E-11e 390.00/T | 7.0281E-11 |\n| IS89 | ISOPOOH + OH ----> 0.160\\*xMVK + 0.100\\*xMACR + 0.350\\*RO2C + 0.050\\*xRNO3 + 0.260\\*xHCHO + 0.040\\*xRCHO + 0.310\\*xHO2 + 0.020\\*ARO2MN + 0.387\\*yISOPOOH + 0.610\\*RCHO + 0.610\\*OH | 4.75E-12e 200.00/T | 9.2901E-12 |\n| IS92 | ISOPOOH ----> OH + 0.910\\*HO2 + 0.750\\*HCHO + 0.450\\*MVK + 0.290\\*MACR + 0.090\\*RO2C + 0.110\\*RCHO + 0.050\\*ARO2MN | COOH | Not Available1 | \n| IS90 | IEPOX + OH ----> IEPOXOO | 5.78E-11e -400.00/T | 1.5110E-11 |\n| IS91 | IEPOXOO + HO2 ----> 0.725\\*MEK + 0.275\\*HOCCHO + 0.275\\*GLY + 0.275\\*MGLY + 1.125\\*OH + 0.825\\*HO2 + 0.200\\*CO2 + 0.375\\*HCHO + 0.074\\*HCOOH + 0.251\\*CO | 2.06E-13e 1300.00/T | 1.6125E-11 |\n| IS96 | IEPOXOO + NO ----> 0.725\\*MEK + 0.275\\*HOCCHO + 0.275\\*GLY + 0.275\\*MGLY + 0.125\\*OH + 0.825\\*HO2 + 0.200\\*CO2 + 0.375\\*HCHO + 0.074\\*HCOOH + 0.251\\*CO + NO2 | 2.60E-12e 380.00/T | 9.3002E-12 |\n| IS112 | IEPOXOO + MEO2 ----> 0.363\\*MEK + 0.138\\*HOCCHO + 0.138\\*GLY + 0.138\\*MGLY + 0.063\\*OH + 0.913\\*HO2 + 0.100\\*CO2 + 0.938\\*HCHO + 0.037\\*HCOOH + 0.126\\*CO + 0.500\\*PRD2 + 0.250\\*MEOH | 2.0000E-13 | 2.0000E-13 |\n| IS113 | IEPOXOO + RO2C ----> 0.363\\*MEK + 0.138\\*HOCCHO + 0.138\\*GLY + 0.138\\*MGLY + 0.063\\*OH + 0.413\\*HO2 + 0.100\\*CO2 + 0.188\\*HCHO + 0.037\\*HCOOH + 0.126\\*CO + 0.500\\*PRD2 | 3.5000E-14 | 3.5000E-14 |\n| IS114 | IEPOXOO + MECO3 ----> 0.725\\*MEK + 0.275\\*HOCCHO + 0.275\\*GLY + 0.275\\*MGLY + 0.125\\*OH + 0.825\\*HO2 + 1.200\\*CO2 + 0.375\\*HCHO + 0.074\\*HCOOH + 0.251\\*CO + MEO2 | 4.40E-13e 1070.00/T | 1.5924E-11 |\n| BT09 | APIN + OH ----> 0.799\\*xHO2 + 0.004\\*xRCO3 + 1.042\\*RO2C + 0.197\\*RO2XC + 0.197\\*zRNO3 + 0.002\\*xCO + 0.022\\*xHCHO + 0.776\\*xRCHO + 0.034\\*xACETONE + 0.020\\*xMGLY + 0.023\\*xBACL + yR6OOH + TRPRXN | 1.21E-11e 436.00/T | 5.2225E-11 |\n| BT10 | APIN + O3 ----> 0.009\\*HO2 + 0.102\\*xHO2 + 0.728\\*OH + 0.001\\*xMECO3 + 0.297\\*xRCO3 + 1.511\\*RO2C + 0.337\\*RO2XC + 0.337\\*zRNO3 + 0.029\\*CO + 0.051\\*xCO + 0.017\\*CO2 + 0.344\\*xHCHO + 0.240\\*xRCHO + 0.345\\*xACETONE + 0.008\\*MEK + 0.002\\*xGLY + 0.081\\*xBACL + 0.255\\*PRD2 + 0.737\\*yR6OOH + TRPRXN | 5.00E-16e -530.00/T | 8.4519E-17 |\n| BT11 | APIN + NO3 ----> 0.056\\*xHO2 + 0.643\\*xNO2 + 0.007\\*xRCO3 + 1.050\\*RO2C + 0.293\\*RO2XC + 0.293\\*zRNO3 + 0.005\\*xCO + 0.007\\*xHCHO + 0.684\\*xRCHO + 0.069\\*xACETONE + 0.002\\*xMGLY + 0.056\\*xRNO3 + yR6OOH + TRPRXN | 1.19E-12e 490.00/T | 6.1560E-12 |\n| BT12 | APIN + O3P ----> PRD2 + TRPRXN | 3.2000E-11 | 3.2000E-11 |\n| BE10 | ACETYLENE + OH ----> 0.300\\*HO2 + 0.700\\*OH + 0.300\\*CO + 0.300\\*HCOOH + 0.700\\*GLY | ko= 5.50E-30e 0.0/T(T/300) 0.00
ki = 8.30E-13e 0.0/T(T/300) -2.00
n= 1.00;F= 0.60 | 7.6556E-13 |\n| BE11 | ACETYLENE + O3 ----> 1.500\\*HO2 + 0.500\\*OH + 1.500\\*CO + 0.500\\*CO2 | 1.00E-14e -4100.00/T | 1.0661E-20 |\n| BE12 | BENZENE + OH ----> 0.570\\*HO2 + 0.290\\*xHO2 + 0.116\\*OH + 0.290\\*RO2C + 0.024\\*RO2XC + 0.024\\*zRNO3 + 0.290\\*xGLY + 0.570\\*CRES + 0.029\\*xAFG1 + 0.261\\*xAFG2 + 0.116\\*AFG3 + 0.314\\*yRAOOH + BENZRO2 | 2.33E-12e -193.00/T | 1.2196E-12 |\n| BT13 | TOLUENE + OH ----> 0.181\\*HO2 + 0.454\\*xHO2 + 0.312\\*OH + 0.454\\*RO2C + 0.054\\*RO2XC + 0.054\\*zRNO3 + 0.238\\*xGLY + 0.151\\*xMGLY + 0.181\\*CRES + 0.065\\*xBALD + 0.195\\*xAFG1 + 0.195\\*xAFG2 + 0.312\\*AFG3 + 0.073\\*yR6OOH + 0.435\\*yRAOOH + TOLRO2 | 1.81E-12e 338.00/T | 5.6237E-12 |\n| BT14 | MXYL + OH ----> 0.159\\*HO2 + 0.520\\*xHO2 + 0.239\\*OH + 0.520\\*RO2C + 0.082\\*RO2XC + 0.082\\*zRNO3 + 0.100\\*xGLY + 0.380\\*xMGLY + 0.159\\*CRES + 0.041\\*xBALD + 0.336\\*xAFG1 + 0.144\\*xAFG2 + 0.239\\*AFG3 + 0.047\\*yR6OOH + 0.555\\*yRAOOH + XYLRO2 | 2.3100E-11 | 2.3100E-11 |\n| BT15 | OXYL + OH ----> 0.161\\*HO2 + 0.554\\*xHO2 + 0.198\\*OH + 0.554\\*RO2C + 0.087\\*RO2XC + 0.087\\*zRNO3 + 0.084\\*xGLY + 0.238\\*xMGLY + 0.185\\*xBACL + 0.161\\*CRES + 0.047\\*xBALD + 0.253\\*xAFG1 + 0.253\\*xAFG2 + 0.198\\*AFG3 + 0.055\\*yR6OOH + 0.586\\*yRAOOH + XYLRO2 | 1.3600E-11 | 1.3600E-11 |\n| BT16 | PXYL + OH ----> 0.159\\*HO2 + 0.487\\*xHO2 + 0.278\\*OH + 0.487\\*RO2C + 0.076\\*RO2XC + 0.076\\*zRNO3 + 0.286\\*xGLY + 0.112\\*xMGLY + 0.159\\*CRES + 0.088\\*xBALD + 0.045\\*xAFG1 + 0.067\\*xAFG2 + 0.278\\*AFG3 + 0.286\\*xAFG3 + 0.102\\*yR6OOH + 0.461\\*yRAOOH + XYLRO2 | 1.4300E-11 | 1.4300E-11 |\n| BT17 | TMBENZ124 + OH ----> 0.022\\*HO2 + 0.627\\*xHO2 + 0.230\\*OH + 0.627\\*RO2C + 0.121\\*RO2XC + 0.121\\*zRNO3 + 0.074\\*xGLY + 0.405\\*xMGLY + 0.112\\*xBACL + 0.022\\*CRES + 0.036\\*xBALD + 0.088\\*xAFG1 + 0.352\\*xAFG2 + 0.230\\*AFG3 + 0.151\\*xAFG3 + 0.043\\*yR6OOH + 0.705\\*yRAOOH + XYLRO2 | 3.2500E-11 | 3.2500E-11 |\n| BT18 | ETOH + OH ----> 0.950\\*HO2 + 0.050\\*xHO2 + 0.050\\*RO2C + 0.081\\*xHCHO + 0.950\\*CCHO + 0.010\\*xHOCCHO + 0.050\\*yROOH | 5.49E-13e 530.00/T(T/300) 2.00 | 3.2078E-12 |\n| BL01 | ALK1 + OH ----> xHO2 + RO2C + xCCHO + yROOH | 1.34E-12e -499.00/T(T/300) 2.00 | 2.4824E-13 |\n| BL02 | ALK2 + OH ----> 0.965\\*xHO2 + 0.965\\*RO2C + 0.035\\*RO2XC + 0.035\\*zRNO3 + 0.261\\*xRCHO + 0.704\\*xACETONE + yROOH | 1.49E-12e -87.00/T(T/300) 2.00 | 1.0992E-12 |\n| BL03 | ALK3 + OH ----> 0.695\\*xHO2 + 0.236\\*xTBUO + 1.253\\*RO2C + 0.070\\*RO2XC + 0.070\\*zRNO3 + 0.026\\*xHCHO + 0.445\\*xCCHO + 0.122\\*xRCHO + 0.024\\*xACETONE + 0.332\\*xMEK + 0.983\\*yROOH + 0.017\\*yR6OOH | 1.51E-12e 126.00/T | 2.3042E-12 |\n| BL04 | ALK4 + OH ----> 0.830\\*xHO2 + 0.010\\*xMEO2 + 0.011\\*xMECO3 + 1.763\\*RO2C + 0.149\\*RO2XC + 0.149\\*zRNO3 + 0.002\\*xCO + 0.029\\*xHCHO + 0.438\\*xCCHO + 0.236\\*xRCHO + 0.426\\*xACETONE + 0.106\\*xMEK + 0.146\\*xPROD2 + yR6OOH | 3.75E-12e 44.00/T | 4.3463E-12 |\n| BL05 | ALK5 + OH ----> 0.647\\*xHO2 + 1.605\\*RO2C + 0.353\\*RO2XC + 0.353\\*zRNO3 + 0.040\\*xHCHO + 0.106\\*xCCHO + 0.209\\*xRCHO + 0.071\\*xACETONE + 0.086\\*xMEK + 0.407\\*xPROD2 + yR6OOH | 2.70E-12e 374.00/T | 9.4655E-12 |\n| AALK | SOAALK + OH ----> OH + 0.470\\*ALKRXN | 2.70E-12e 374.00/T | 9.4655E-12 |\n| BL06 | OLE1 + OH ----> 0.871\\*xHO2 + 0.001\\*xMEO2 + 1.202\\*RO2C + 0.128\\*RO2XC + 0.128\\*zRNO3 + 0.582\\*xHCHO + 0.010\\*xCCHO + 0.007\\*xHOCCHO + 0.666\\*xRCHO + 0.007\\*xACETONE + 0.036\\*xACROLEIN + 0.001\\*xMACR + 0.012\\*xMVK + 0.009\\*xIPRD + 0.168\\*xPROD2 + 0.169\\*yROOH + 0.831\\*yR6OOH | 6.72E-12e 501.00/T | 3.6070E-11 |\n| BL07 | OLE1 + O3 ----> 0.095\\*HO2 + 0.057\\*xHO2 + 0.128\\*OH + 0.090\\*RO2C + 0.005\\*RO2XC + 0.005\\*zRNO3 + 0.303\\*CO + 0.088\\*CO2 + 0.500\\*HCHO + 0.011\\*xCCHO + 0.500\\*RCHO + 0.044\\*xRCHO + 0.003\\*xACETONE + 0.009\\*MEK + 0.185\\*HCOOH + 0.159\\*RCOOH + 0.268\\*PRD2 + 0.011\\*yROOH + 0.052\\*yR6OOH | 3.19E-15e -1701.00/T | 1.0618E-17 |\n| BL08 | OLE1 + NO3 ----> 0.772\\*xHO2 + 1.463\\*RO2C + 0.228\\*RO2XC + 0.228\\*zRNO3 + 0.013\\*xCCHO + 0.003\\*xRCHO + 0.034\\*xACETONE + 0.774\\*xRNO3 + 0.169\\*yROOH + 0.831\\*yR6OOH | 5.37E-13e -1047.00/T | 1.6028E-14 |\n| BL09 | OLE1 + O3P ----> 0.450\\*RCHO + 0.390\\*MEK + 0.160\\*PRD2 | 1.61E-11e -326.00/T | 5.3947E-12 |\n| BL10 | OLE2 + OH ----> 0.912\\*xHO2 + 0.953\\*RO2C + 0.088\\*RO2XC + 0.088\\*zRNO3 + 0.179\\*xHCHO + 0.835\\*xCCHO + 0.510\\*xRCHO + 0.144\\*xACETONE + 0.080\\*xMEK + 0.002\\*xMVK + 0.012\\*xIPRD + 0.023\\*xPROD2 + 0.319\\*yROOH + 0.681\\*yR6OOH | 1.26E-11e 488.00/T | 6.4745E-11 |\n| BL11 | OLE2 + O3 ----> 0.094\\*HO2 + 0.041\\*xHO2 + 0.443\\*OH + 0.307\\*MEO2 + 0.156\\*xMECO3 + 0.008\\*xRCO3 + 0.212\\*RO2C + 0.003\\*RO2XC + 0.003\\*zRNO3 + 0.299\\*CO + 0.161\\*CO2 + 0.131\\*HCHO + 0.114\\*xHCHO + 0.453\\*CCHO + 0.071\\*xCCHO + 0.333\\*RCHO + 0.019\\*xRCHO + 0.051\\*ACETONE + 0.033\\*MEK + 0.001\\*xMEK + 0.024\\*HCOOH + 0.065\\*CCOOH + 0.235\\*RCOOH + 0.037\\*PRD2 + 0.073\\*yROOH + 0.136\\*yR6OOH | 8.59E-15e -1255.00/T | 1.2762E-16 |\n| BL12 | OLE2 + NO3 ----> 0.400\\*xHO2 + 0.426\\*xNO2 + 0.035\\*xMEO2 + 1.193\\*RO2C + 0.140\\*RO2XC + 0.140\\*zRNO3 + 0.072\\*xHCHO + 0.579\\*xCCHO + 0.163\\*xRCHO + 0.116\\*xACETONE + 0.002\\*xMEK + 0.320\\*xRNO3 + 0.319\\*yROOH + 0.681\\*yR6OOH | 2.31E-13e 382.00/T | 8.3185E-13 |\n| BL13 | OLE2 + O3P ----> 0.079\\*RCHO + 0.751\\*MEK + 0.170\\*PRD2 | 1.43E-11e 111.00/T | 2.0750E-11 |\n| BL14 | ARO1 + OH ----> 0.123\\*HO2 + 0.566\\*xHO2 + 0.202\\*OH + 0.566\\*RO2C + 0.110\\*RO2XC + 0.110\\*zRNO3 + 0.158\\*xGLY + 0.100\\*xMGLY + 0.123\\*CRES + 0.072\\*xAFG1 + 0.185\\*xAFG2 + 0.202\\*AFG3 + 0.309\\*xPROD2 + 0.369\\*yR6OOH + TOLRO2 | 7.8400E-12 | 7.8400E-12 |\n| BL15 | ARO2MN + OH ----> 0.077\\*HO2 + 0.617\\*xHO2 + 0.178\\*OH + 0.617\\*RO2C + 0.128\\*RO2XC + 0.128\\*zRNO3 + 0.088\\*xGLY + 0.312\\*xMGLY + 0.134\\*xBACL + 0.077\\*CRES + 0.026\\*xBALD + 0.221\\*xAFG1 + 0.247\\*xAFG2 + 0.178\\*AFG3 + 0.068\\*xAFG3 + 0.057\\*xPROD2 + 0.101\\*yR6OOH + XYLRO2 | 3.0900E-11 | 3.0900E-11 |\n| BL15b | NAPHTHAL + OH ----> 0.077\\*HO2 + 0.617\\*xHO2 + 0.178\\*OH + 0.617\\*RO2C + 0.128\\*RO2XC + 0.128\\*zRNO3 + 0.088\\*xGLY + 0.312\\*xMGLY + 0.134\\*xBACL + 0.077\\*CRES + 0.026\\*xBALD + 0.221\\*xAFG1 + 0.247\\*xAFG2 + 0.178\\*AFG3 + 0.068\\*xAFG3 + 0.057\\*xPROD2 + 0.101\\*yR6OOH + PAHRO2 | 3.0900E-11 | 3.0900E-11 |\n| BL16 | TERP + OH ----> 0.734\\*xHO2 + 0.064\\*xRCO3 + 1.211\\*RO2C + 0.201\\*RO2XC + 0.201\\*zRNO3 + 0.001\\*xCO + 0.411\\*xHCHO + 0.385\\*xRCHO + 0.037\\*xACETONE + 0.007\\*xMEK + 0.003\\*xMGLY + 0.009\\*xBACL + 0.003\\*xMVK + 0.002\\*xIPRD + 0.409\\*xPROD2 + yR6OOH + TRPRXN | 2.27E-11e 435.00/T | 9.7647E-11 |\n| BL17 | TERP + O3 ----> 0.078\\*HO2 + 0.046\\*xHO2 + 0.499\\*OH + 0.202\\*xMECO3 + 0.059\\*xRCO3 + 0.490\\*RO2C + 0.121\\*RO2XC + 0.121\\*zRNO3 + 0.249\\*CO + 0.063\\*CO2 + 0.127\\*HCHO + 0.033\\*xHCHO + 0.208\\*xRCHO + 0.057\\*xACETONE + 0.002\\*MEK + 0.172\\*HCOOH + 0.068\\*RCOOH + 0.003\\*xMGLY + 0.039\\*xBACL + 0.002\\*xMACR + 0.001\\*xIPRD + 0.502\\*PRD2 + 0.428\\*yR6OOH + TRPRXN | 8.28E-16e -785.00/T | 5.9508E-17 |\n| BL18 | TERP + NO3 ----> 0.227\\*xHO2 + 0.287\\*xNO2 + 0.026\\*xRCO3 + 1.786\\*RO2C + 0.460\\*RO2XC + 0.460\\*zRNO3 + 0.012\\*xCO + 0.023\\*xHCHO + 0.002\\*xHOCCHO + 0.403\\*xRCHO + 0.239\\*xACETONE + 0.005\\*xMACR + 0.001\\*xMVK + 0.004\\*xIPRD + 0.228\\*xRNO3 + yR6OOH + TRPRXN | 1.33E-12e 490.00/T | 6.8802E-12 |\n| BL19 | TERP + O3P ----> 0.237\\*RCHO + 0.763\\*PRD2 + TRPRXN | 4.0200E-11 | 4.0200E-11 |\n| BT19 | SESQ + OH ----> 0.734\\*xHO2 + 0.064\\*xRCO3 + 1.211\\*RO2C + 0.201\\*RO2XC + 0.201\\*zRNO3 + 0.001\\*xCO + 0.411\\*xHCHO + 0.385\\*xRCHO + 0.037\\*xACETONE + 0.007\\*xMEK + 0.003\\*xMGLY + 0.009\\*xBACL + 0.003\\*xMVK + 0.002\\*xIPRD + 0.409\\*xPROD2 + yR6OOH + SESQRXN | BL16 | 9.7647E-117| \n| BT20 | SESQ + O3 ----> 0.078\\*HO2 + 0.046\\*xHO2 + 0.499\\*OH + 0.202\\*xMECO3 + 0.059\\*xRCO3 + 0.490\\*RO2C + 0.121\\*RO2XC + 0.121\\*zRNO3 + 0.249\\*CO + 0.063\\*CO2 + 0.127\\*HCHO + 0.033\\*xHCHO + 0.208\\*xRCHO + 0.057\\*xACETONE + 0.002\\*MEK + 0.172\\*HCOOH + 0.068\\*RCOOH + 0.003\\*xMGLY + 0.039\\*xBACL + 0.002\\*xMACR + 0.001\\*xIPRD + 0.502\\*PRD2 + 0.428\\*yR6OOH + SESQRXN | BL17 | 5.9508E-177| \n| BT21 | SESQ + NO3 ----> 0.227\\*xHO2 + 0.287\\*xNO2 + 0.026\\*xRCO3 + 1.786\\*RO2C + 0.460\\*RO2XC + 0.460\\*zRNO3 + 0.012\\*xCO + 0.023\\*xHCHO + 0.002\\*xCCHO + 0.403\\*xRCHO + 0.239\\*xACETONE + 0.005\\*xMACR + 0.001\\*xMVK + 0.004\\*xIPRD + 0.228\\*xRNO3 + yR6OOH + SESQRXN | BL18 | 6.8802E-127| \n| BT22 | SESQ + O3P ----> 0.237\\*RCHO + 0.763\\*PRD2 + SESQRXN | BL19 | 4.0200E-117| \n| CI01 | CL2 ----> 2.000\\*CL | CL2 | Not Available1 | \n| CI02 | CL + NO + M ----> CLNO | 7.60E-32(T/300) -1.80 | 7.6851E-32 |\n| CI03 | CLNO ----> CL + NO | CLNO_06 | Not Available1 | \n| CI04 | CL + NO2 ----> CLONO | ko= 1.30E-30e 0.0/T(T/300) -2.00
ki = 1.00E-10e 0.0/T(T/300) -1.00
n= 1.00;F= 0.60 | 1.6244E-11 |\n| CI05 | CL + NO2 ----> CLNO2 | ko= 1.80E-31e 0.0/T(T/300) -2.00
ki = 1.00E-10e 0.0/T(T/300) -1.00
n= 1.00;F= 0.60 | 3.5840E-12 |\n| CI06 | CLONO ----> CL + NO2 | CLONO | Not Available1 | \n| CI07 | CLNO2 ----> CL + NO2 | CLNO2 | Not Available1 | \n| CI08 | CL + HO2 ----> HCL | 3.44E-11(T/300) -0.56 | 3.4519E-11 |\n| CI09 | CL + HO2 ----> CLO + OH | 9.41E-12(T/300) 2.10 | 9.2886E-12 |\n| CI10 | CL + O3 ----> CLO | 2.80E-11e -250.00/T | 1.2106E-11 |\n| CI11 | CL + NO3 ----> CLO + NO2 | 2.4000E-11 | 2.4000E-11 |\n| CI12 | CLO + NO ----> CL + NO2 | 6.20E-12e 295.00/T | 1.6676E-11 |\n| CI13 | CLO + NO2 ----> CLONO2 | ko= 1.80E-31e 0.0/T(T/300) -3.40
ki = 1.50E-11e 0.0/T(T/300) -1.90
n= 1.00;F= 0.60 | 2.3359E-12 |\n| CI14 | CLONO2 ----> CLO + NO2 | CLONO2_1 | Not Available1 | \n| CI15 | CLONO2 ----> CL + NO3 | CLONO2_2 | Not Available1 | \n| CI16 | CLONO2 ----> CLO + NO2 | ko= 4.48E-05e-12530.0/T(T/300) -1.00
ki = 3.71E+15e-12530.0/T(T/300) 3.50
n= 1.00;F= 0.60 | 3.1797E-04 |\n| CI17 | CL + CLONO2 ----> CL2 + NO3 | 6.20E-12e 145.00/T | 1.0083E-11 |\n| CI18 | CLO + HO2 ----> HOCL | 2.20E-12e 340.00/T | 6.8814E-12 |\n| CI19 | HOCL ----> OH + CL | HOCL_06 | Not Available1 | \n| CI20 | CLO + CLO ----> 0.290\\*CL2 + 1.420\\*CL | 1.25E-11e -1960.00/T | 1.7455E-14 |\n| CI21 | OH + HCL ----> CL | 1.70E-12e -230.00/T | 7.8600E-13 |\n| CI22 | CL + H2 ----> HCL + HO2 | 3.90E-11e -2310.00/T | 1.6836E-14 |\n| CP01 | HCHO + CL ----> HCL + HO2 + CO | 8.10E-11e -30.00/T | 7.3246E-11 |\n| CP02 | CCHO + CL ----> HCL + MECO3 | 8.0000E-11 | 8.0000E-11 |\n| CP03 | MEOH + CL ----> HCL + HCHO + HO2 | 5.5000E-11 | 5.5000E-11 |\n| CP04 | RCHO + CL ----> HCL + 0.900\\*RCO3 + 0.100\\*RO2C + 0.100\\*xCCHO + 0.100\\*xCO + 0.100\\*xHO2 + 0.100\\*yROOH | 1.2300E-10 | 1.2300E-10 |\n| CP05 | ACETONE + CL ----> HCL + RO2C + xHCHO + xMECO3 + yROOH | 7.70E-11e -1000.00/T | 2.6907E-12 |\n| CP06 | MEK + CL ----> HCL + 0.975\\*RO2C + 0.039\\*RO2XC + 0.039\\*zRNO3 + 0.840\\*xHO2 + 0.085\\*xMECO3 + 0.036\\*xRCO3 + 0.065\\*xHCHO + 0.070\\*xCCHO + 0.840\\*xRCHO + yROOH | 3.6000E-11 | 3.6000E-11 |\n| CP07 | RNO3 + CL ----> HCL + 0.038\\*NO2 + 0.055\\*HO2 + 1.282\\*RO2C + 0.202\\*RO2XC + 0.202\\*zRNO3 + 0.009\\*RCHO + 0.018\\*MEK + 0.012\\*PRD2 + 0.055\\*RNO3 + 0.159\\*xNO2 + 0.547\\*xHO2 + 0.045\\*xHCHO + 0.300\\*xCCHO + 0.020\\*xRCHO + 0.003\\*xACETONE + 0.041\\*xMEK + 0.046\\*xPROD2 + 0.547\\*xRNO3 + 0.908\\*yR6OOH | 1.9200E-10 | 1.9200E-10 |\n| CP08 | PRD2 + CL ----> HCL + 0.314\\*HO2 + 0.680\\*RO2C + 0.116\\*RO2XC + 0.116\\*zRNO3 + 0.198\\*RCHO + 0.116\\*PRD2 + 0.541\\*xHO2 + 0.007\\*xMECO3 + 0.022\\*xRCO3 + 0.237\\*xHCHO + 0.109\\*xCCHO + 0.591\\*xRCHO + 0.051\\*xMEK + 0.040\\*xPROD2 + 0.686\\*yR6OOH | 2.0000E-10 | 2.0000E-10 |\n| CP09 | GLY + CL ----> HCL + 0.630\\*HO2 + 1.260\\*CO + 0.370\\*RCO3 | 8.10E-11e -30.00/T | 7.3246E-11 |\n| CP10 | MGLY + CL ----> HCL + CO + MECO3 | 8.0000E-11 | 8.0000E-11 |\n| CP11 | CRES + CL ----> HCL + xHO2 + xBALD + yR6OOH | 6.2000E-11 | 6.2000E-11 |\n| CP12 | BALD + CL ----> HCL + BZCO3 | 8.0000E-11 | 8.0000E-11 |\n| CP13 | ROOH + CL ----> HCL + 0.414\\*OH + 0.588\\*RO2C + 0.414\\*RCHO + 0.104\\*xOH + 0.482\\*xHO2 + 0.106\\*xHCHO + 0.104\\*xCCHO + 0.197\\*xRCHO + 0.285\\*xMEK + 0.586\\*yROOH | 1.6600E-10 | 1.6600E-10 |\n| CP14 | R6OOH + CL ----> HCL + 0.145\\*OH + 1.078\\*RO2C + 0.117\\*RO2XC + 0.117\\*zRNO3 + 0.145\\*PRD2 + 0.502\\*xOH + 0.237\\*xHO2 + 0.186\\*xCCHO + 0.676\\*xRCHO + 0.280\\*xPROD2 + 0.855\\*yR6OOH | 3.0000E-10 | 3.0000E-10 |\n| CP15 | RAOOH + CL ----> 0.404\\*HCL + 0.139\\*OH + 0.148\\*HO2 + 0.589\\*RO2C + 0.124\\*RO2XC + 0.124\\*zRNO3 + 0.074\\*PRD2 + 0.147\\*MGLY + 0.139\\*IPRD + 0.565\\*xHO2 + 0.024\\*xOH + 0.448\\*xRCHO + 0.026\\*xGLY + 0.030\\*xMEK + 0.252\\*xMGLY + 0.073\\*xAFG1 + 0.073\\*xAFG2 + 0.713\\*yR6OOH | 4.2900E-10 | 4.2900E-10 |\n| TP01 | ACROLEIN + CL ----> 0.484\\*xHO2 + 0.274\\*xCL + 0.216\\*MACO3 + 1.032\\*RO2C + 0.026\\*RO2XC + 0.026\\*zRNO3 + 0.216\\*HCL + 0.484\\*xCO + 0.274\\*xHCHO + 0.274\\*xGLY + 0.484\\*xCLCCHO + 0.784\\*yROOH | 2.9400E-10 | 2.9400E-10 |\n| CP16 | MACR + CL ----> 0.250\\*HCL + 0.165\\*MACO3 + 0.802\\*RO2C + 0.033\\*RO2XC + 0.033\\*zRNO3 + 0.802\\*xHO2 + 0.541\\*xCO + 0.082\\*xIPRD + 0.180\\*xCLCCHO + 0.541\\*xCLACET + 0.835\\*yROOH | 3.8500E-10 | 3.8500E-10 |\n| CP17 | MVK + CL ----> 1.283\\*RO2C + 0.053\\*RO2XC + 0.053\\*zRNO3 + 0.322\\*xHO2 + 0.625\\*xMECO3 + 0.947\\*xCLCCHO + yROOH | 2.3200E-10 | 2.3200E-10 |\n| CP18 | IPRD + CL ----> 0.401\\*HCL + 0.084\\*HO2 + 0.154\\*MACO3 + 0.730\\*RO2C + 0.051\\*RO2XC + 0.051\\*zRNO3 + 0.042\\*AFG1 + 0.042\\*AFG2 + 0.712\\*xHO2 + 0.498\\*xCO + 0.195\\*xHCHO + 0.017\\*xMGLY + 0.009\\*xAFG1 + 0.009\\*xAFG2 + 0.115\\*xIPRD + 0.140\\*xCLCCHO + 0.420\\*xCLACET + 0.762\\*yR6OOH | 4.1200E-10 | 4.1200E-10 |\n| CP19 | CLCCHO ----> HO2 + CO + RO2C + xCL + xHCHO + yROOH | CLCCHO | Not Available1 | \n| CP20 | CLCCHO + OH ----> RCO3 | 3.1000E-12 | 3.1000E-12 |\n| CP21 | CLCCHO + CL ----> HCL + RCO3 | 1.2900E-11 | 1.2900E-11 |\n| CP22 | CLACET ----> MECO3 + RO2C + xCL + xHCHO + yROOH | 5.0000E-01\\*CLACET | Not Available1 | \n| CP29 | xCL + NO ----> NO + CL | BR07 | 9.3002E-127| \n| CP30 | xCL + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| CP31 | xCL + NO3 ----> NO3 + CL | BR09 | 2.3000E-127| \n| CP32 | xCL + MEO2 ----> MEO2 + 0.500\\*CL | BR10 | 2.0000E-137| \n| CP33 | xCL + RO2C ----> RO2C + 0.500\\*CL | BR11 | 3.5000E-147| \n| CP34 | xCL + RO2XC ----> RO2XC + 0.500\\*CL | BR11 | 3.5000E-147| \n| CP35 | xCL + MECO3 ----> MECO3 + CL | BR25 | 1.5924E-117| \n| CP36 | xCL + RCO3 ----> RCO3 + CL | BR25 | 1.5924E-117| \n| CP37 | xCL + BZCO3 ----> BZCO3 + CL | BR25 | 1.5924E-117| \n| CP38 | xCL + MACO3 ----> MACO3 + CL | BR25 | 1.5924E-117| \n| CP39 | xCLCCHO + NO ----> NO + CLCCHO | BR07 | 9.3002E-127| \n| CP40 | xCLCCHO + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| CP41 | xCLCCHO + NO3 ----> NO3 + CLCCHO | BR09 | 2.3000E-127| \n| CP42 | xCLCCHO + MEO2 ----> MEO2 + 0.500\\*CLCCHO | BR10 | 2.0000E-137| \n| CP43 | xCLCCHO + RO2C ----> RO2C + 0.500\\*CLCCHO | BR11 | 3.5000E-147| \n| CP44 | xCLCCHO + RO2XC ----> RO2XC + 0.500\\*CLCCHO | BR11 | 3.5000E-147| \n| CP45 | xCLCCHO + MECO3 ----> MECO3 + CLCCHO | BR25 | 1.5924E-117| \n| CP46 | xCLCCHO + RCO3 ----> RCO3 + CLCCHO | BR25 | 1.5924E-117| \n| CP47 | xCLCCHO + BZCO3 ----> BZCO3 + CLCCHO | BR25 | 1.5924E-117| \n| CP48 | xCLCCHO + MACO3 ----> MACO3 + CLCCHO | BR25 | 1.5924E-117| \n| CP49 | xCLACET + NO ----> NO + CLACET | BR07 | 9.3002E-127| \n| CP50 | xCLACET + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| CP51 | xCLACET + NO3 ----> NO3 + CLACET | BR09 | 2.3000E-127| \n| CP52 | xCLACET + MEO2 ----> MEO2 + 0.500\\*CLACET | BR10 | 2.0000E-137| \n| CP53 | xCLACET + RO2C ----> RO2C + 0.500\\*CLACET | BR11 | 3.5000E-147| \n| CP54 | xCLACET + RO2XC ----> RO2XC + 0.500\\*CLACET | BR11 | 3.5000E-147| \n| CP55 | xCLACET + MECO3 ----> MECO3 + CLACET | BR25 | 1.5924E-117| \n| CP56 | xCLACET + RCO3 ----> RCO3 + CLACET | BR25 | 1.5924E-117| \n| CP57 | xCLACET + BZCO3 ----> BZCO3 + CLACET | BR25 | 1.5924E-117| \n| CP58 | xCLACET + MACO3 ----> MACO3 + CLACET | BR25 | 1.5924E-117| \n| CE01 | CL + CH4 ----> HCL + MEO2 | 7.30E-12e -1280.00/T | 9.9732E-14 |\n| CE02 | ETHENE + CL ----> xHO2 + 2.000\\*RO2C + xHCHO + CLCHO | ko= 1.60E-29e 0.0/T(T/300) -3.30
ki = 3.10E-10e 0.0/T(T/300) -1.00
n= 1.00;F= 0.60 | 1.0603E-10 |\n| TE01 | PROPENE + CL ----> 0.124\\*HCL + 0.971\\*xHO2 + 0.971\\*RO2C + 0.029\\*RO2XC + 0.029\\*zRNO3 + 0.124\\*xACROLEIN + 0.306\\*xCLCCHO + 0.540\\*xCLACET + yROOH | 2.6700E-10 | 2.6700E-10 |\n| TE02 | BUTADIENE13 + CL ----> 0.390\\*xHO2 + 0.541\\*xCL + 1.884\\*RO2C + 0.069\\*RO2XC + 0.069\\*zRNO3 + 0.863\\*xHCHO + 0.457\\*xACROLEIN + 0.473\\*xIPRD + yROOH | 4.9000E-10 | 4.9000E-10 |\n| CE03 | ISOPRENE + CL ----> 0.150\\*HCL + 0.738\\*xHO2 + 0.177\\*xCL + 1.168\\*RO2C + 0.085\\*RO2XC + 0.085\\*zRNO3 + 0.275\\*xHCHO + 0.177\\*xMVK + 0.671\\*xIPRD + 0.067\\*xCLCCHO + yR6OOH | 4.8000E-10 | 4.8000E-10 |\n| TE03 | APIN + CL ----> 0.548\\*HCL + 0.252\\*xHO2 + 0.068\\*xCL + 0.034\\*xMECO3 + 0.050\\*xRCO3 + 0.016\\*xMACO3 + 2.258\\*RO2C + 0.582\\*RO2XC + 0.582\\*zRNO3 + 0.035\\*xCO + 0.158\\*xHCHO + 0.185\\*xRCHO + 0.274\\*xACETONE + 0.007\\*xGLY + 0.003\\*xBACL + 0.003\\*xMVK + 0.158\\*xIPRD + 0.006\\*xAFG1 + 0.006\\*xAFG2 + 0.001\\*xAFG3 + 0.109\\*xCLCCHO + yR6OOH | 5.4600E-10 | 5.4600E-10 |\n| CE04 | ACETYLENE + CL ----> HO2 + CO | ko= 5.20E-30e 0.0/T(T/300) -2.40
ki = 2.20E-10e 0.0/T(T/300) 0.00
n= 1.00;F= 0.60 | 5.0269E-11 |\n| TE04 | TOLUENE + CL ----> 0.894\\*xHO2 + 0.894\\*RO2C + 0.106\\*RO2XC + 0.106\\*zRNO3 + 0.894\\*xBALD | 6.2000E-11 | 6.2000E-11 |\n| TE05 | MXYL + CL ----> 0.864\\*xHO2 + 0.864\\*RO2C + 0.136\\*RO2XC + 0.136\\*zRNO3 + 0.864\\*xBALD | 1.3500E-10 | 1.3500E-10 |\n| TE06 | OXYL + CL ----> 0.864\\*xHO2 + 0.864\\*RO2C + 0.136\\*RO2XC + 0.136\\*zRNO3 + 0.864\\*xBALD | 1.4000E-10 | 1.4000E-10 |\n| TE07 | PXYL + CL ----> 0.864\\*xHO2 + 0.864\\*RO2C + 0.136\\*RO2XC + 0.136\\*zRNO3 + 0.864\\*xBALD | 1.4400E-10 | 1.4400E-10 |\n| TE08 | TMBENZ124 + CL ----> 0.838\\*xHO2 + 0.838\\*RO2C + 0.162\\*RO2XC + 0.162\\*zRNO3 + 0.838\\*xBALD | 2.4200E-10 | 2.4200E-10 |\n| TE09 | ETOH + CL ----> HCL + 0.688\\*HO2 + 0.312\\*xHO2 + 0.312\\*RO2C + 0.503\\*xHCHO + 0.688\\*CCHO + 0.061\\*xHOCCHO + 0.312\\*yROOH | 8.60E-11e 45.00/T | 1.0001E-10 |\n| BC01 | ALK1 + CL ----> HCL + xHO2 + RO2C + xCCHO + yROOH | 8.30E-11e -100.00/T | 5.9349E-11 |\n| BC02 | ALK2 + CL ----> HCL + 0.970\\*xHO2 + 0.970\\*RO2C + 0.030\\*RO2XC + 0.030\\*zRNO3 + 0.482\\*xRCHO + 0.488\\*xACETONE + yROOH | 1.20E-10e 40.00/T | 1.3723E-10 |\n| BC03 | ALK3 + CL ----> HCL + 0.835\\*xHO2 + 0.094\\*xTBUO + 1.361\\*RO2C + 0.070\\*RO2XC + 0.070\\*zRNO3 + 0.078\\*xHCHO + 0.340\\*xCCHO + 0.343\\*xRCHO + 0.075\\*xACETONE + 0.253\\*xMEK + 0.983\\*yROOH + 0.017\\*yR6OOH | 1.8600E-10 | 1.8600E-10 |\n| BC04 | ALK4 + CL ----> HCL + 0.827\\*xHO2 + 0.003\\*xMEO2 + 0.004\\*xMECO3 + 1.737\\*RO2C + 0.165\\*RO2XC + 0.165\\*zRNO3 + 0.003\\*xCO + 0.034\\*xHCHO + 0.287\\*xCCHO + 0.412\\*xRCHO + 0.247\\*xACETONE + 0.076\\*xMEK + 0.130\\*xPROD2 + yR6OOH | 2.6300E-10 | 2.6300E-10 |\n| BC05 | ALK5 + CL ----> HCL + 0.647\\*xHO2 + 1.541\\*RO2C + 0.352\\*RO2XC + 0.352\\*zRNO3 + 0.022\\*xHCHO + 0.080\\*xCCHO + 0.258\\*xRCHO + 0.044\\*xACETONE + 0.041\\*xMEK + 0.378\\*xPROD2 + yR6OOH | 4.2100E-10 | 4.2100E-10 |\n| BC06 | OLE1 + CL ----> 0.384\\*HCL + 0.873\\*xHO2 + 1.608\\*RO2C + 0.127\\*RO2XC + 0.127\\*zRNO3 + 0.036\\*xHCHO + 0.206\\*xCCHO + 0.072\\*xRCHO + 0.215\\*xACROLEIN + 0.019\\*xMVK + 0.038\\*xIPRD + 0.192\\*xCLCCHO + 0.337\\*xCLACET + 0.169\\*yROOH + 0.831\\*yR6OOH | 3.9200E-10 | 3.9200E-10 |\n| BC07 | OLE2 + CL ----> 0.279\\*HCL + 0.450\\*xHO2 + 0.442\\*xCL + 0.001\\*xMEO2 + 1.492\\*RO2C + 0.106\\*RO2XC + 0.106\\*zRNO3 + 0.190\\*xHCHO + 0.383\\*xCCHO + 0.317\\*xRCHO + 0.086\\*xACETONE + 0.042\\*xMEK + 0.025\\*xMACR + 0.058\\*xMVK + 0.161\\*xIPRD + 0.013\\*xCLCCHO + 0.191\\*xCLACET + 0.319\\*yROOH + 0.681\\*yR6OOH | 3.7700E-10 | 3.7700E-10 |\n| BC08 | ARO1 + CL ----> 0.840\\*xHO2 + 0.840\\*RO2C + 0.160\\*RO2XC + 0.160\\*zRNO3 + 0.840\\*xPROD2 | 2.1600E-10 | 2.1600E-10 |\n| BC09 | ARO2MN + CL ----> 0.828\\*xHO2 + 0.828\\*RO2C + 0.172\\*RO2XC + 0.172\\*zRNO3 + 0.469\\*xBALD + 0.359\\*xPROD2 | 2.6600E-10 | 2.6600E-10 |\n| BC09b | NAPHTHAL + CL ----> 0.828\\*xHO2 + 0.828\\*RO2C + 0.172\\*RO2XC + 0.172\\*zRNO3 + 0.469\\*xBALD + 0.359\\*xPROD2 | 2.6600E-10 | 2.6600E-10 |\n| BC10 | TERP + CL ----> 0.548\\*HCL + 0.252\\*xHO2 + 0.068\\*xCL + 0.034\\*xMECO3 + 0.050\\*xRCO3 + 0.016\\*xMACO3 + 2.258\\*RO2C + 0.582\\*RO2XC + 0.582\\*zRNO3 + 0.035\\*xCO + 0.158\\*xHCHO + 0.185\\*xRCHO + 0.274\\*xACETONE + 0.007\\*xGLY + 0.003\\*xBACL + 0.003\\*xMVK + 0.158\\*xIPRD + 0.006\\*xAFG1 + 0.006\\*xAFG2 + 0.001\\*xAFG3 + 0.109\\*xCLCCHO + yR6OOH | 5.4600E-10 | 5.4600E-10 |\n| BC11 | SESQ + CL ----> 0.252\\*xHO2 + 0.068\\*xCL + 0.034\\*xMECO3 + 0.050\\*xRCO3 + 0.016\\*xMACO3 + 2.258\\*RO2C + 0.582\\*RO2XC + 0.582\\*zRNO3 + 0.548\\*HCL + 0.035\\*xCO + 0.158\\*xHCHO + 0.185\\*xRCHO + 0.274\\*xACETONE + 0.007\\*xGLY + 0.003\\*xBACL + 0.003\\*xMVK + 0.158\\*xIPRD + 0.006\\*xAFG1 + 0.006\\*xAFG2 + 0.001\\*xAFG3 + 0.109\\*xCLCCHO + yR6OOH | BC10 | 5.4600E-107| \n| AE51 | BENZRO2 + NO ----> NO + BNZNRXN | BR07 | 9.3002E-127| \n| AE52 | BENZRO2 + HO2 ----> HO2 + BNZHRXN | BR08 | 7.7759E-127| \n| AE53 | XYLRO2 + NO ----> NO + XYLNRXN | BR07 | 9.3002E-127| \n| AE54 | XYLRO2 + HO2 ----> HO2 + XYLHRXN | BR08 | 7.7759E-127| \n| AE55 | TOLRO2 + NO ----> NO + TOLNRXN | BR07 | 9.3002E-127| \n| AE56 | TOLRO2 + HO2 ----> HO2 + TOLHRXN | BR08 | 7.7759E-127| \n| AE55b | PAHRO2 + NO ----> NO + PAHNRXN | BR07 | 9.3002E-127| \n| AE56b | PAHRO2 + HO2 ----> HO2 + PAHHRXN | BR08 | 7.7759E-127| \n| TR01 | HCHO_PRIMARY ----> | HCHOR_06 | Not Available1 | \n| TR02 | HCHO_PRIMARY ----> | HCHOM_06 | Not Available1 | \n| TR03 | HCHO_PRIMARY + OH ----> OH | 5.40E-12e 135.00/T | 8.4926E-12 |\n| TR05 | HCHO_PRIMARY + NO3 ----> NO3 | 2.00E-12e -2431.00/T | 5.7539E-16 |\n| TR06 | HCHO_PRIMARY + CL ----> CL | 8.10E-11e -30.00/T | 7.3246E-11 |\n| TR07 | CCHO_PRIMARY + OH ----> OH | 4.40E-12e 365.00/T | 1.4967E-11 |\n| TR08 | CCHO_PRIMARY ----> | CCHO_R | Not Available1 | \n| TR09 | CCHO_PRIMARY + NO3 ----> NO3 | 1.40E-12e -1860.00/T | 2.7340E-15 |\n| TR10 | CCHO_PRIMARY + CL ----> CL | 8.0000E-11 | 8.0000E-11 |\n| TR11 | ACRO_PRIMARY + OH ----> OH | 1.9900E-11 | 1.9900E-11 |\n| TR12 | ACRO_PRIMARY + O3 ----> O3 | 1.40E-15e -2528.00/T | 2.9091E-19 |\n| TR13 | ACRO_PRIMARY + NO3 ----> NO3 | 1.1800E-15 | 1.1800E-15 |\n| TR14 | ACRO_PRIMARY + O3P ----> O3P | 2.3700E-12 | 2.3700E-12 |\n| TR15 | ACRO_PRIMARY ----> | ACRO_09 | Not Available1 | \n| TR16 | ACRO_PRIMARY + CL ----> CL | 2.9400E-10 | 2.9400E-10 |\n| HET_N02 | NO2 ----> 0.500\\*HONO + 0.500\\*HNO3 | HETERO_NO2 | Not Available2 | \n| HET_N2O5IJ | N2O5 ----> HNO3 + H2NO3PIJ | HETERO_N2O5IJ | Not Available2 | \n| HET_N2O5K | N2O5 ----> HNO3 + H2NO3PK | HETERO_N2O5K | Not Available2 | \n| HET_H2NO3PIJA | H2NO3PIJ ----> HNO3 | HETERO_H2NO3PAIJ | Not Available2 | \n| HET_H2NO3PKA | H2NO3PK ----> HNO3 | HETERO_H2NO3PAK | Not Available2 | \n| HET_H2NO3PIB | H2NO3PIJ + ACLI ----> CLNO2 | HETERO_H2NO3PBIJ | Not Available2 | \n| HET_H2NO3PJB | H2NO3PIJ + ACLJ ----> CLNO2 | HETERO_H2NO3PBIJ | Not Available2 | \n| HET_H2NO3PKB | H2NO3PK + ACLK ----> CLNO2 | HETERO_H2NO3PBK | Not Available2 | \n| HAL_Ozone | O3 ----> | SEAWATER*min( 6.701E-11e 1.074E+01P+ 3.415E-08e-6.713E-01P,
2.000E-06) | 2.0000E-064| \n| OLIG_XYLENE1 | AXYL1J ----> 0.857\\*AOLGAJ | 9.4882E-06 | 9.4882E-06 |\n| OLIG_XYLENE2 | AXYL2J ----> 1.143\\*AOLGAJ | 9.4882E-06 | 9.4882E-06 |\n| OLIG_TOLUENE1 | ATOL1J ----> 0.857\\*AOLGAJ | 9.4882E-06 | 9.4882E-06 |\n| OLIG_TOLUENE2 | ATOL2J ----> 1.143\\*AOLGAJ | 9.4882E-06 | 9.4882E-06 |\n| OLIG_BENZENE1 | ABNZ1J ----> 0.714\\*AOLGAJ | 9.4882E-06 | 9.4882E-06 |\n| OLIG_BENZENE2 | ABNZ2J ----> 0.714\\*AOLGAJ | 9.4882E-06 | 9.4882E-06 |\n| OLIG_TERPENE1 | ATRP1J ----> 0.800\\*AOLGBJ | 9.4882E-06 | 9.4882E-06 |\n| OLIG_TERPENE2 | ATRP2J ----> 0.900\\*AOLGBJ | 9.4882E-06 | 9.4882E-06 |\n| OLIG_ISOPRENE1 | AISO1J ----> 0.500\\*AOLGBJ | 9.4882E-06 | 9.4882E-06 |\n| OLIG_ISOPRENE2 | AISO2J ----> 0.500\\*AOLGBJ | 9.4882E-06 | 9.4882E-06 |\n| OLIG_SESQT1 | ASQTJ ----> 1.500\\*AOLGBJ | 9.4882E-06 | 9.4882E-06 |\n| OLIG_PAH1 | APAH1J ----> 1.429\\*AOLGAJ | 9.4882E-06 | 9.4882E-06 |\n| OLIG_PAH2 | APAH2J ----> 1.429\\*AOLGAJ | 9.4882E-06 | 9.4882E-06 |\n| OLIG_ALK1 | AALK1J ----> 1.714\\*AOLGAJ | 9.4882E-06 | 9.4882E-06 |\n| OLIG_ALK2 | AALK2J ----> 1.714\\*AOLGAJ | 9.4882E-06 | 9.4882E-06 |\n| RPOAGEPI | APOCI + OH ----> 1.250\\*APNCOMI + APOCI + OH | 2.5000E-12 | 2.5000E-12 |\n| RPOAGELI | APNCOMI + OH ----> OH | HETERO_PNCOMLI | Not Available2 | \n| RPOAGEPJ | APOCJ + OH ----> 1.250\\*APNCOMJ + APOCJ + OH | 2.5000E-12 | 2.5000E-12 |\n| RPOAGELJ | APNCOMJ + OH ----> OH | HETERO_PNCOMLJ | Not Available2 | \n| PCSOA | PCVOC + OH ----> OH + PCSOARXN | 1.2500E-11 | 1.2500E-11 |\n| POA_AGE1 | VLVPO1 + OH ----> OH + 0.486\\*VLVPO1 + 0.006\\*VSVPO1 + 0.003\\*VSVPO2 + 0.003\\*VSVPO3 + 0.002\\*VIVPO1 + 0.294\\*VLVOO1 + 0.202\\*VLVOO2 + 0.002\\*VSVOO2 + 0.002\\*VSVOO3 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE2 | VSVPO1 + OH ----> OH + 0.300\\*VLVPO1 + 0.286\\*VSVPO1 + 0.004\\*VSVPO2 + 0.004\\*VSVPO3 + 0.224\\*VLVOO1 + 0.182\\*VLVOO2 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE3 | VSVPO2 + OH ----> OH + 0.386\\*VLVPO1 + 0.095\\*VSVPO1 + 0.137\\*VSVPO2 + 0.001\\*VSVPO3 + 0.205\\*VLVOO1 + 0.176\\*VLVOO2 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE4 | VSVPO3 + OH ----> OH + 0.218\\*VLVPO1 + 0.306\\*VSVPO1 + 0.015\\*VSVPO2 + 0.104\\*VSVPO3 + 0.189\\*VLVOO1 + 0.167\\*VLVOO2 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE5 | VIVPO1 + OH ----> OH + 0.241\\*VLVPO1 + 0.209\\*VSVPO1 + 0.300\\*VSVPO2 + 0.203\\*VLVOO1 + 0.047\\*VLVOO2 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE6 | VLVOO1 + OH ----> OH + 0.666\\*VLVOO1 + 0.014\\*VLVOO2 + 0.012\\*VSVOO1 + 0.124\\*VSVOO2 + 0.183\\*VSVOO3 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE7 | VLVOO2 + OH ----> OH + 0.286\\*VLVOO1 + 0.393\\*VLVOO2 + 0.014\\*VSVOO1 + 0.103\\*VSVOO2 + 0.204\\*VSVOO3 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE8 | VSVOO1 + OH ----> OH + 0.330\\*VLVOO1 + 0.227\\*VLVOO2 + 0.261\\*VSVOO1 + 0.070\\*VSVOO2 + 0.112\\*VSVOO3 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE9 | VSVOO2 + OH ----> OH + 0.344\\*VLVOO1 + 0.275\\*VLVOO2 + 0.049\\*VSVOO1 + 0.258\\*VSVOO2 + 0.074\\*VSVOO3 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE10 | VSVOO3 + OH ----> OH + 0.389\\*VLVOO1 + 0.242\\*VLVOO2 + 0.064\\*VSVOO1 + 0.038\\*VSVOO2 + 0.267\\*VSVOO3 | 4.0000E-11 | 4.0000E-11 |\n| HET_IEPOX | IEPOX ----> AISO3J | HETERO_IEPOX | Not Available2 | \n\n0Units molecules/(sec*cm3); Value at 298.15 K; 2.4615E+19 molcules/cm3; 1.00 Atm. \n1Photolysis Reaction;depends on radiation and predicted concentrations \n2Heteorogeneous Reaction;Depends predicted concentrations \n4Set to zero if sun is below the horizon. SEAWATER equals surface fraction covered by ice free open ocean plus surf zones. P equals air pressure in atmospheres. \n7Rate constant multiple of constant for listed reaction \n" }, { "path": "CCTM/src/MECHS/mechanism_information/saprc07tc_ae6_aq/saprc07tc_ae6_aq_species_table.md", "content": "**The GC namelist for saprc07tc_ae6_aq has the following gas phase species.**\n\n| **Species Name** | **Defintion** | **Explicit or Lumped** | **Molecular Weight** |\n|-----------|--------------------------------------|-----------------|------------------|\n|ACETONE|Acetone|E|58.10 |\n|ACETYLENE|Acetylene|E|26.00 |\n|ACRO_PRIMARY|Acrolein emissions tracer|E|56.10 |\n|ACROLEIN|Acrolein|E|56.10 |\n|AFG1|Lumped photoreactive monounsaturated dicarbonyl aromatic fragmentation products that photolyze to form radicals|L|98.10 |\n|AFG2|Lumped photoreactive monounsaturated dicarbonyl aromatic fragmentation products that photolyze to form non-radical products|L|98.10 |\n|AFG3|Lumped diunsaturatred dicarbonyl aromatic fragmentation product.|L|124.10 |\n|ALK1|Alkanes and other non-aromatic compounds that react only with OH, and have kOH between 2 and 5 x 102 ppm-1 min-1. (Primarily ethane)|L|30.10 |\n|ALK2|Alkanes and other non-aromatic compounds that react only with OH, and have kOH between 5 x 102 and 2.5 x 103 ppm-1 min-1. (Primarily propane and acetylene)|L|36.70 |\n|ALK3|Alkanes and other non-aromatic compounds that react only with OH, and have kOH between 2.5 x 103 and 5 x 103 ppm-1 min-1.|L|58.60 |\n|ALK4|Alkanes and other non-aromatic compounds that react only with OH, and have kOH between 5 x 103 and 1 x 104 ppm-1 min-1.|L|77.60 |\n|ALK5|Alkanes and other non-aromatic compounds that react only with OH, and have kOH greater than 1 x 104 ppm-1 min-1.|L|118.90 |\n|ALKRXN|Precursor of Terpene Aerosol Material|L|112.00 |\n|APIN|a-pinene|E|136.20 |\n|ARO1|Aromatics with kOH < 2x104 ppm-1 min-1.|L|95.20 |\n|ARO2MN|ARO2 minus naphthalene|L|118.70 |\n|BACL|Biacetyl|E|86.10 |\n|BALD|Aromatic aldehydes (e.g., benzaldehyde)|L|106.10 |\n|BENZENE|Benzene|E|78.10 |\n|BENZRO2|Peroxy radical tracer from Benzene and OH reaction used to produce aerosol material|L|159.10 |\n|BNZHRXN|Precursor of Hydro-Benzene Aerosol Material|L|159.10 |\n|BNZNRXN|Precursor of Nitro-Benzene Aerosol Material|L|159.10 |\n|BUTADIENE13|1,3-butadiene|E|54.10 |\n|BZCO3|Peroxyacyl radical formed from Aromatic Aldehydes|L|137.10 |\n|BZO|Phenoxy Radicals|E|93.00 |\n|CCHO|Acetaldehyde|E|44.10 |\n|CCHO_PRIMARY|Acetaldehyde Emissions Tracer|E|44.10 |\n|CCOOH|Acetic Acid. Also used for peroxyacetic acid in Carter|E|60.10 |\n|CCOOOH|Proposed for Peroxyacetic Acid|E|76.00 |\n|CL|Chlorine atoms|E|35.50 |\n|CL2|Chlorine molecules|E|70.00 |\n|CLACET|Chloroacetone (and other alpha-chloro ketones that are assumed to be similarly photoreactive)|L|92.50 |\n|CLCCHO|Chloroacetaldehyde (and other alpha-chloro aldehydes that are assumed to be similarly photoreactive)|L|78.50 |\n|CLCHO|Formyl Chloride (assumed to be unreactive)|E|64.50 |\n|CLNO|Nitrosyl Chloride|E|65.50 |\n|CLNO2|Nitryl Chloride|E|81.50 |\n|CLO|Chlorine Monoxide Radicals|E|51.50 |\n|CLONO|Nitrous Hypochloride |E|81.50 |\n|CLONO2|Chlorine Nitrate|E|97.50 |\n|CO|Carbon Monoxide|E|28.00 |\n|CO2|Carbon Dioxide|E|44.00 |\n|COOH|Methyl Hydroperoxide|E|48.00 |\n|CRES|Phenols and Cresols|E|108.10 |\n|ETHENE|Ethene|E|28.10 |\n|ETOH|Ethanol|E|46.10 |\n|GLY|Glyoxal|E|58.00 |\n|H2NO3PIJ|Fine Mode Dissolved Nitric Acid|E|64.00 |\n|H2NO3PK|Coarse Mode Dissolved Nitric Acid|E|64.00 |\n|HCHO|Formaldehyde|E|30.00 |\n|HCHO_PRIMARY|Formaldehyde Emission Tracer|E|30.00 |\n|HCL|Hydrochloric acid|E|36.50 |\n|HCOCO3|acylperoxy radicals from glyoxal|E|89.00 |\n|HCOOH|Formic Acid|E|46.00 |\n|HNO3|Nitric Acid|E|63.00 |\n|HNO4|Peroxynitric Acid|E|79.00 |\n|HO2|Hydroperoxide Radicals|E|33.00 |\n|HO2H|Hydrogen Peroxide|E|34.00 |\n|HOCCHO|Glycolaldehyde|E|60.10 |\n|HOCL|Hypochlorous acid|E|52.50 |\n|HONO|Nitrous Acid|E|47.00 |\n|IEPOX|dihydroxyepoxides|E|118.13 |\n|IEPOXOO|peroxy radical from IEPOX|E|149.12 |\n|IPRD|Lumped isoprene product species|L|100.10 |\n|ISOPOOH|hydroxyhydroperoxides from ISOPO2|L|118.20 |\n|ISOPRENE|Isoprene|E|68.10 |\n|ISOPRXN|SOA precursor compounds from isoprene|E|68.00 |\n|MACO3|Peroxyacyl radicals formed from methacrolein and other acroleins.|L|101.10 |\n|MACR|Methacrolein|E|70.10 |\n|MAPAN|PAN analogue formed from Methacrolein|E|147.10 |\n|MECO3|Acetyl Peroxy Radicals|E|75.00 |\n|MEK|Ketones and other non-aldehyde oxygenated products which react with OH radicals faster than 5 x 10-13 but slower than 5 x 10-12 cm3 molec-2 sec-1. (Based on mechanism for methyl ethyl ketone).|L|72.10 |\n|MEO2|Methyl Peroxy Radicals|E|47.00 |\n|MEOH|Methanol|E|32.00 |\n|MGLY|Methyl Glyoxal|E|72.10 |\n|MVK|Methyl Vinyl Ketone|E|70.10 |\n|MXYL|m-xylene|E|106.20 |\n|N2O5|Nitrogen Pentoxide|E|108.00 |\n|NAPHTHAL|naphthalene|E|118.70 |\n|NO|Nitric Oxide|E|30.00 |\n|NO2|Nitrogen Dioxide|E|46.00 |\n|NO3|Nitrate Radical|E|62.00 |\n|NPHE|Nitrophenols|L|139.10 |\n|O1D|Excited Oxygen Atoms|E|16.00 |\n|O3|Ozone|E|48.00 |\n|O3P|Ground State Oxygen Atoms|E|16.00 |\n|OH|Hydroxyl Radicals|E|17.00 |\n|OLE1|Alkenes (other than ethene) with kOH < 7x104 ppm-1 min-1.|L|72.30 |\n|OLE2|Alkenes with kOH > 7x104 ppm-1 min-1.|L|75.80 |\n|OXYL|o-xylene|E|106.20 |\n|PAHHRXN|Precursor of Hydro-Naphthalene Aerosol Material|L|172.10 |\n|PAHNRXN|Precursor of Nitro-Naphthalene Aerosol Material|L|172.10 |\n|PAHRO2|Naphthalene hydroxyperoxy radical tracker from naphthalene and OH reaction; an aerosol precursor|L|187.20 |\n|PAN|Peroxy Acetyl Nitrate|E|121.10 |\n|PAN2|PPN and other higher alkyl PAN analogues|L|135.10 |\n|PBZN|PAN analogues formed from Aromatic Aldehydes|L|183.10 |\n|PRD2|Ketones and other non-aldehyde oxygenated products which react with OH radicals faster than 5 x 10-12 cm3 molec-2 sec-1.|L|116.20 |\n|PROPENE|propene|E|42.10 |\n|PXYL|p-xylene|E|106.20 |\n|R6OOH|Lumped organic hydroperoxides with 5 or more carbons (other than those formed following OH addition to aromatic rings, which is reprsented separately). Mechanism based on that estimated for 3-hexyl hydroperoxide.|L|118.20 |\n|RAOOH|Organic hydroperoxides formed following OH addition to aromatic rings, which is reprsented separately because of their probable role in SOA formation. Mechanism based on two isomers expected to be formed in the m-xylene system.|L|188.20 |\n|RCHO|Lumped C3+ Aldehydes (mechanism based on propionaldehyde)|L|58.10 |\n|RCO3|Peroxy Propionyl and higher peroxy acyl Radicals|L|89.10 |\n|RCOOH|Higher organic acids and, in Carter, peroxy acids (mechanism based on propionic acid).|L|74.10 |\n|RCOOOH|Proposed Higher organic peroxy acids|L|74.10 |\n|RNO3|Lumped Organic Nitrates|L|147.20 |\n|RO2C|Peroxy Radical Operator representing NO to NO2 and NO3 to NO2 conversions, and the effects of peroxy radical reactions on acyl peroxy and other peroxy radicals.|L|1.00 |\n|RO2XC|Peroxy Radical Operator representing NO consumption (used in conjunction with organic nitrate formation), and the effects of peroxy radical reactions on NO3, acyl peroxy radicals, and other peroxy radicals.|L|1.00 |\n|ROOH|Lumped organic hydroperoxides with 2-4 carbons. Mechanism based on that estimated for n-propyl hydroperoxide.|L|76.10 |\n|SESQ|Sesquiterpenes|L|204.40 |\n|SESQRXN|Precursor of Sesquiterpenes Aerosol Material|L|204.40 |\n|SO2|Sulfur Dioxide|E|64.10 |\n|SOAALK|Alkanes that produce aerosol material|L|112.00 |\n|SULF|Sulfates (SO3 or H2SO4)|L|98.10 |\n|SULRXN|Precursor of Aerosol Sulfate|E|98.10 |\n|TBUO|t-Butoxy Radicals|E|73.00 |\n|TERP|Terpenes|E|136.20 |\n|TMBENZ124|1,2,4-trimethyl benzene|E|120.20 |\n|TOLHRXN|Precursor of Hydro-Toulene Aerosol Material|L|172.10 |\n|TOLNRXN|Precursor of Nitro-Toulene Aerosol Material|L|172.10 |\n|TOLRO2|Peroxy Radical tracker from TOLUENE and ARO1 reactions with OH; an aerosol precursor|L|172.10 |\n|TOLUENE|toluene|E|92.10 |\n|TRPRXN|Precursor of Terpene Aerosol Material|E|136.20 |\n|xACETONE|ACETONE production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|L|58.10 |\n|xACROLEIN|ACROLEIN production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|L|56.10 |\n|xAFG1|AFG1 production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|L|98.10 |\n|xAFG2|AFG2 production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|L|98.10 |\n|xAFG3|AFG3 production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|L|124.70 |\n|xBACL|BACL production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|L|86.10 |\n|xBALD|BALD production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|L|106.10 |\n|xCCHO|CCHO production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|L|44.10 |\n|xCL|Cl production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|L|35.50 |\n|xCLACET|CLACET production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|L|92.50 |\n|xCLCCHO|CLCCHO production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|E|78.50 |\n|xCO|CO production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|E|28.00 |\n|xGLY|GLY production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|E|58.00 |\n|xHCHO|HCHO production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|E|30.00 |\n|xHO2|Formation of HO2 from alkoxy radicals formed in peroxy radical reactions with NO and NO3 (100% yields) and RO2 (50% yields)|E|33.00 |\n|xHOCCHO|HOCCHO production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|E|60.10 |\n|xIPRD|IPRD production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|E|100.10 |\n|xMACO3|MACO3 production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|E|101.10 |\n|xMACR|MACR production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|E|70.10 |\n|xMECO3|MECO3 production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|E|75.00 |\n|xMEK|MEK production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|E|72.10 |\n|xMEO2|MEO2 production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|E|47.00 |\n|xMGLY|MGLY production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|E|72.10 |\n|xMVK|MVK production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|E|70.10 |\n|xNO2|NO2 production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|E|46.00 |\n|xOH|OH production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|E|17.00 |\n|xPROD2|PROD2 production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|E|116.20 |\n|xRCHO|RCHO production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|E|58.10 |\n|xRCO3|RCO3 production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|E|89.10 |\n|xRNO3|RNO3 production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|E|147.20 |\n|xTBUO|TBUO production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|E|73.00 |\n|XYLHRXN|Precursor of Hydro-Xylene Aerosol Material|L|187.20 |\n|XYLNRXN|Precursor of Nitro-Xylene Aerosol Material|L|187.20 |\n|XYLRO2|Peroxy Radical tracker from xylene and ARO2 reactions with OH;an aerosol precursor|E|187.20 |\n|yISOPOOH|isoprene hydroperoxide production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|E|118.20 |\n|yR6OOH|R6OOH production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|L|118.20 |\n|yRAOOH|RAOOH production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|L|188.20 |\n|yROOH|ROOH production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|L|76.10 |\n|zRNO3|RNO3 production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|L|147.20 |\n**The AE namelist for saprc07tc_ae6_aq has the following aerosol species.**\n\n| **Model Species** | **Definition** | **Molecular Weight** | **Explicit or Lumped** |\n| ----------------- | ---------------------------------------------------- | -------------------- | ---------------------- |\n| AAL | Aluminum | 27 | E |\n| AALK1 | Semivolaitle SOA Product from Alkane VOCs | 225.0 | L |\n| AALK2 | Semivolatile SOA Product from Alkane VOCs | 205.1 | L |\n| ABNZ1 | Semivolatile High-NOx SOA Product from Benzene | 161.0 | L |\n| ABNZ2 | Semivolatile High-NOx SOA Product from Benzene | 134.0 | L |\n| ABNZ3 | Low-Volatility Low-NOx SOA Product from Benzene | 180.0 | L |\n| ACA | Calcium | 40.1 | E |\n| ACL | Chloride | 35.5 | E |\n| ACORS | Anthropogenic Coarse-mode particle mass | 100.0 | L |\n| AEC | Elemental Carbon | 12 | E |\n| AFE | Iron | 55.8 | E |\n| AH2O | Water | 18 | E |\n| AH3OP | Hydronium Ion | 19 | E |\n| AISO1 | Semivolatile SOA Product from Isoprene | 132.0 | L |\n| AISO2 | High-Volatility SOA Product from Isoprene | 133.0 | L |\n| AISO3 | Acid-catalyzed Isoprene Epoxydiol SOA | 168.2 | L |\n| AIVPO1 | Intermediate Volatility Primary Organic Compounds | 266 | L |\n| AK | Potassium | 39.1 | E |\n| ALVOO1 | Low Volatility Oxidized Combustion Organic Compounds | 136 | L |\n| ALVOO2 | Low Volatility Oxidized Combustion Organic Compounds | 136 | L |\n| ALVPO1 | Low Volatility Primary Organic Compounds | 218 | L |\n| AMG | Magnesium | 24.3 | E |\n| AMN | Manganese | 54.9 | E |\n| ANA | Sodium | 23 | E |\n| ANH4 | Ammonium | 18 | E |\n| ANO3 | Nitrate | 62 | E |\n| AOLGA | Oligomer products of anthropogenic SOA compounds | 206.0 | L |\n| AOLGB | Oligomer products of biogenic SOA compounds | 248.0 | L |\n| AORGC | Glyoxal and methylglyoxal SOA produced in cloud water | 177.0 | L |\n| AOTHR | Other Particulate Mass | 200 | L |\n| APAH1 | Semivolatile High-NOx SOA Product from PAHs | 195.6 | L |\n| APAH2 | Semivolatile High-NOx SOA Product from PAHs | 178.7 | L |\n| APAH3 | Low-Volatility Low-NOx SOA Product from PAHs | 212.2 | L |\n| APCSO | Potential Combustion SOA | 170 | L |\n| APNCOM | Non-Carbon Organic Matter associated with APOC | 220.0 | L |\n| APOC | Primary Organic Carbon | 220.0 | L |\n| ASEACAT | Sea spray cations | 23.75 | L |\n| ASI | Silicon | 28.1 | E |\n| ASO4 | Sulfate | 96 | E |\n| ASOIL | Lumped crustal species | 100.0 | L |\n| ASQT | Semivolatile SOA Product from Sesquiterpenes | 273.0 | L |\n| ASVOO1 | Semivolatile Oxidized Combustion Organic Compounds | 135 | L |\n| ASVOO2 | Semivolatile Oxidized Combustion Organic Compounds | 135 | L |\n| ASVOO3 | Semivolatile Oxidized Combustion Organic Compounds | 134 | L |\n| ASVPO1 | Semivolatile Primary Organic Compounds | 230 | L |\n| ASVPO2 | Semivolatile Primary Organic Compounds | 241 | L |\n| ASVPO3 | Semivolatile Primary Organic Compounds | 253 | L |\n| ATI | Titanium | 47.9 | E |\n| ATOL1 | Semivolatile High-NOx SOA Product from Toluene | 163.0 | L |\n| ATOL2 | Semivolaitle High-NOx SOA Product from Toluene | 175.0 | L |\n| ATOL3 | Low-Volatility Low-NOx SOA Product from Toluene | 194.0 | L |\n| ATRP1 | Semivolatile SOA Product from Monoterpenes | 177.0 | L |\n| ATRP2 | High-Volatility SOA Product from Monoterpenes | 198.0 | L |\n| AXYL1 | Semivolatile High-NOx SOA Product from Xylene | 174.0 | L |\n| AXYL2 | Semivolaitle High-NOx SOA Product from Xylene | 185.0 | L |\n| AXYL3 | Low-Volatility Low-NOx SOA Product from Xylene | 218.0 | L |\n| NUMACC | Accum. Mode Number Conc | NA | NA |\n| NUMAIT | Aitken Mode Number Conc | NA | NA |\n| NUMCOR | Coarse Mode Number Conc | NA | NA |\n| SRFACC | Accum. Mode Surface Area Conc | NA | NA |\n| SRFAIT | Aitken Mode Surface Area Conc | NA | NA |\n| SRFCOR | Coarse Mode Surface Area Conc | NA | NA |\n\nNote that for each aerosol mass species, a letter will be appended to the names below in order to designate the size, or mode, of the aerosol being represented: I = Aitken mode, J = Accumulation mode, K = Coarse mode. \n\n**The NR namelist for sapr07tc_ae6_aq has the following gas phase species.**\n\n| **Model Species** | **Definition** | **Molecular Weight** | **Explicit or Lumped** |\n| ----------------- | ---------------------------------------------------- | -------------------- | ---------------------- |\n| LVPCSOG | surrogate SOA precursor gas for combustion/anthropogenic sources | 170.0 | L | \n| NH3 | ammonia | 17.0 | E | \n| SVALK1 | vapors of secondary aerosol material from alkane VOCs | 225.0 | L | \n| SVALK2 | vapors of secondary aerosol material from alkane VOCs | 205.1 | L | \n| SVXYL1 | vapors of secondary aerosol material from xylenes | 174.0 | L | \n| SVXYL2 | vapors of secondary aerosol material from xylenes | 185.0 | L | \n| SVTOL1 | vapors of secondary aerosol material from toluene | 163.0 | L | \n| SVTOL2 | vapors of secondary aerosol material from toluene | 175.0 | L | \n| SVBNZ1 | vapors of secondary aerosol material from benzene | 161.0 | L | \n| SVBNZ2 | vapors of secondary aerosol material from benzene | 134.0 | L | \n| SVPAH1 | vapors of secondary aerosol material from PAHs | 195.6 | L | \n| SVPAH2 | vapors of secondary aerosol material from PAHs | 178.7 | L | \n| SVTRP1 | vapors of secondary aerosol material from monoterpenes | 177.0 | L | \n| SVTRP2 | vapors of secondary aerosol material from monoterpenes | 198.0 | L | \n| SVISO1 | vapors of secondary aerosol material from isoprene | 132.0 | L | \n| SVISO2 | vapors of secondary aerosol material from isoprene | 133.0 | L | \n| SVSQT | vapors of secondary aerosol material from sesquiterpenes | 273.0 | L | \n" }, { "path": "CCTM/src/MECHS/mechanism_information/saprc07tc_ae6_aq/saprc07tc_ae6_aq_species_table_aerosol.md", "content": "\n| **Species Name** | **Defintion** | **Phase** | **Molecular Weight** |\n|-----------|--------------------------------------|-----------------|------------------|\n|AALK1J|Accumulation Mode Alkane Product 1|Aerosol|168.00 |\n|AALK2J|Accumulation Mode Alkane Product 2|Aerosol|168.00 |\n|ABNZ1J|Accumulation Mode Benzene Product 1|Aerosol|144.00 |\n|ABNZ2J|Accumulation Mode Benzene Product 2|Aerosol|144.00 |\n|ACLI|Aitken Mode Chlorine|Aerosol|35.50 |\n|ACLJ|Accumulation Mode Chlorine|Aerosol|35.50 |\n|ACLK|Coarse Mode Chlorine|Aerosol|35.50 |\n|AISO1J|Accumulation Mode Isoprene Product 1|Aerosol|96.00 |\n|AISO2J|Accumulation Mode Isoprene Product 2|Aerosol|96.00 |\n|AISO3J|Accumulation Mode Isoprene Product 3|Aerosol|168.20 |\n|ALKRXN|Precursor of Terpene Aerosol Material|Gas|112.00 |\n|AOLGAJ|Accumulation Mode Oligomerized Anthropogenic Material|Aerosol|176.40 |\n|AOLGBJ|Accumulation Mode Oligomerized Biogenic Material|Aerosol|252.00 |\n|APAH1J|Accumulation Mode PAH Product 1|Aerosol|243.00 |\n|APAH2J|Accumulation Mode PAH Product 2|Aerosol|243.00 |\n|APNCOMI|non-carbon organic matter (H, O, etc.) attached to POC in aitken mode|Aerosol|220.00 |\n|APNCOMJ|non-carbon organic matter (H, O, etc.) attached to POC in accumulation mode|Aerosol|220.00 |\n|APOCI|primary organic carbon in aitken mode|Aerosol|220.00 |\n|APOCJ|primary organic carbon in accumulation mode|Aerosol|220.00 |\n|ASQTJ|Accumulation Mode Sesquiterpene Aerosol|Aerosol|378.00 |\n|ATOL1J|Accumulation Mode Toulene Product 1|Aerosol|168.00 |\n|ATOL2J|Accumulation Mode Toulene Product 2|Aerosol|168.00 |\n|ATRP1J|Accumulation Mode Terpene Product 1|Aerosol|168.00 |\n|ATRP2J|Accumulation Mode Terpene Product 2|Aerosol|168.00 |\n|AXYL1J|Accumulation Mode Xylene Product 1|Aerosol|192.00 |\n|AXYL2J|Accumulation Mode Xylene Product 2|Aerosol|192.00 |\n|BNZHRXN|Precursor of Hydro-Benzene Aerosol Material|Gas|159.10 |\n|BNZNRXN|Precursor of Nitro-Benzene Aerosol Material|Gas|159.10 |\n|PAHHRXN|Precursor of Hydro-Naphthalene Aerosol Material|Gas|172.10 |\n|PAHNRXN|Precursor of Nitro-Naphthalene Aerosol Material|Gas|172.10 |\n|SESQRXN|Precursor of Sesquiterpenes Aerosol Material|Gas|204.40 |\n|SULRXN|Precursor of Aerosol Sulfate|Gas|98.10 |\n|TOLHRXN|Precursor of Hydro-Toulene Aerosol Material|Gas|172.10 |\n|TOLNRXN|Precursor of Nitro-Toulene Aerosol Material|Gas|172.10 |\n|TRPRXN|Precursor of Terpene Aerosol Material|Gas|136.20 |\n|XYLHRXN|Precursor of Hydro-Xylene Aerosol Material|Gas|187.20 |\n|XYLNRXN|Precursor of Nitro-Xylene Aerosol Material|Gas|187.20 |\n" }, { "path": "CCTM/src/MECHS/mechanism_information/saprc07tic_ae7i_aq/AE7I_species_table.md", "content": "**The AE namelist for saprc07tic_ae7i_aq has the following aerosol species.**\n\n| **Model Species** | **Name** | **Molecular Weight** | **Explicit or Lumped** |\n| ----------------- | ---------------------------------------------------- | -------------------- | ---------------------- |\n| AAL | Aluminum | 27 | E |\n| AAVB1 | low volatility organic particulate matter from oxidation of anthropogenic VOCs | 198.0 | L |\n| AAVB2 | semivolailte organic particulate matter from oxidation of anthropogenic VOCs | 179.0 | L |\n| AAVB3 | semivolailte organic particulate matter from oxidation of anthropogenic VOCs | 169.0 | L |\n| AAVB4 | semivolailte organic particulate matter from oxidation of anthropogenic VOCs | 158.0 | L |\n| ACA | Calcium | 40.1 | E |\n| ACL | Chloride | 35.5 | E |\n| ACORS | Anthropogenic Coarse-mode particle mass | 100.0 | L |\n| AEC | Elemental Carbon | 12 | E |\n| AFE | Iron | 55.8 | E |\n| AGLY | Glyoxal and Methylglyoxal SOA | 66.4 | L |\n| AH2O | Water | 18 | E |\n| AH3OP | Hydronium Ion | 19 | E |\n| AIEOS | IEPOX-derived organosulfate | 216.20 | E |\n| AIETET | 2-methyltetrols from IEPOX uptake onto particles |136.15 | E |\n| ADIM | oligomers (dimers) from IEPOX uptake onto particles |248.23 | L |\n| AIMGA | 2-methylglyceric acid from MAE+HMMLL uptake onto particles | 120.10 | E |\n| AIMOS | organosulfate from MAE+HMML uptake onto particles |200.16 | E |\n| AISO1 | Semivolatile SOA Product from Isoprene | 132.0 | L |\n| AISO2 | High-Volatility SOA Product from Isoprene | 133.0 | L |\n| AISO3 | Acid-Catalyzed Isoprene SOA compounds | 168.2 | L |\n| AISOPNN | SOA from isoprene dinitrates (C*=8.9 ug/m3) |226 |L|\n| AIVPO1 | Intermediate Volatility Primary Organic Compounds | 266 | L |\n| AK | Potassium | 39.1 | E |\n| ALVOO1 | Low Volatility Oxidized Combustion Organic Compounds | 136 | L |\n| ALVOO2 | Low Volatility Oxidized Combustion Organic Compounds | 136 | L |\n| ALVPO1 | Low Volatility Primary Organic Compounds | 218 | L |\n| AMG | Magnesium | 24.3 | E |\n| AMN | Manganese | 54.9 | E |\n| AMT1 | low volatility particulate matter from monoterpene photoxidation, C*=0.01 ug/m3 | 200.0 | L |\n| AMT2 | low volatility particulate matter from monoterpene photoxidation, C*=0.1 ug/m3 | 300.0 | L |\n| AMT3 | semivolailte particulate matter from monoterpene photoxidation, C*=1 ug/m3 | 186.0 | L |\n| AMT4 | semivolatile particulate matter from monoterpene photoxidation, C*=10 ug/m3 | 184.0 | L |\n| AMT5 | semivolatile particulate matter from monoterpene photoxidation, C*=100 ug/m3 | 170.0 | L |\n| AMT6 | semivolatile particulate matter from monoterpene photoxidation, C*=1000 ug/m3 | 168.0 | L |\n| AMTNO3 | semivolatile organic nitrates from monoterpene oxidation | 231.0 | L |\n| AMTHYD | organic pseudo-hydrolysis accretion product from monoterpene organic nitrates (AMTNO3J) | 168.0| L |\n| ANA | Sodium | 23 | E |\n| ANH4 | Ammonium | 18 | E |\n| ANO3 | Nitrate | 62 | E |\n| AOLGA | Oligomer products of anthropogenic SOA compounds | 206.0 | L |\n| AOLGB | Oligomer products of biogenic SOA compounds | 248.0 | L |\n| AORGC | Glyoxal and Methylglyoxal SOA | 177.0 | L |\n| AORGH2O | Water associated with organic species of particulate matter | 18.0 | E |\n| AOTHR | Other Particulate Mass | 200 | L |\n| APCSO | Potential Combustion SOA | 170 | L |\n| APNCOM | Non-Carbon Organic Matter associated with APOC | 220.0 | L |\n| APOC | Primary Organic Carbon | 220.0 | L |\n| ASEACAT | Sea spray cations | 23.75 | L |\n| ASI | Silicon | 28.1 | E |\n| ASO4 | Sulfate | 96 | E |\n| ASOIL | Lumped crustal species | 100.0 | L |\n| ASQT | Semivolatile SOA Product from Sesquiterpenes | 273.0 | L |\n| ASVOO1 | Semivolatile Oxidized Combustion Organic Compounds | 135 | L |\n| ASVOO2 | Semivolatile Oxidized Combustion Organic Compounds | 135 | L |\n| ASVOO3 | Semivolatile Oxidized Combustion Organic Compounds | 134 | L |\n| ASVPO1 | Semivolatile Primary Organic Compounds | 230 | L |\n| ASVPO2 | Semivolatile Primary Organic Compounds | 241 | L |\n| ASVPO3 | Semivolatile Primary Organic Compounds | 253 | L |\n| ATI | Titanium | 47.9 | E |\n| NUMACC | Accum. Mode Number Conc | NA | NA |\n| NUMAIT | Aitken Mode Number Conc | NA | NA |\n| NUMCOR | Coarse Mode Number Conc | NA | NA |\n| SRFACC | Accum. Mode Surface Area Conc | NA | NA |\n| SRFAIT | Aitken Mode Surface Area Conc | NA | NA |\n| SRFCOR | Coarse Mode Surface Area Conc | NA | NA |\n\nNote that for each aerosol mass species, a letter will be appended to the names below in order to designate the size, or mode, of the aerosol being represented: I = Aitken mode, J = Accumulation mode, K = Coarse mode. \n" }, { "path": "CCTM/src/MECHS/mechanism_information/saprc07tic_ae7i_aq/NR7_species_table.md", "content": "**The NR namelist for saprc07tic_ae7i_aq has the following gas phase species.**\n\n| **Model Species** | **Name** | **Molecular Weight** | **Explicit or Lumped** |\n| ----------------- | ---------------------------------------------------- | -------------------- | ---------------------- |\n| LVPCSOG | surrogate SOA precursor gas for combustion/anthropogenic sources | 170.0 | L | \n| NH3 | ammonia | 17.0 | E | \n| SVMT1 | low volatility gas from monoterpene photoxidation | 300.0 | L |\n| SVMT2 | low volatility gas from monoterpene photoxidation | 200.0 | L |\n| SVMT3 | semivolatile gas from monoterpene photoxidation | 186.0 | L |\n| SVMT4 | semivolatile gas from monoterpene photoxidation | 184.0 | L |\n| SVMT5 | semivolatile gas from monoterpene photoxidation | 170.0 | L |\n| SVMT6 | semivolatile gas from monoterpene photoxidation | 168.0 | L |\n| SVISO1 | semivolatile gas of secondary aerosol material from isoprene | 132.0 | L | \n| SVISO2 | semivolatile gas of secondary aerosol material from isoprene | 133.0 | L | \n| SVSQT | semivolatile gas of secondary aerosol material from sesquiterpenes | 273.0 | L | \n" }, { "path": "CCTM/src/MECHS/mechanism_information/saprc07tic_ae7i_aq/mech_saprc07tic_ae7i_aq.md", "content": "Information is based on the mech.def file.\n* Fall-off or pressure dependent reaction rate constants (M equals air number density):\n * For rate constants with ko, ki, n, F values: k = [ koM/(1+koM/ki)]FG, where G=(1+(log10(koM/ki)/n)2))-1 \n * For rate constants with k1, k2: k = k1 + k2M\n * For rate constants with k0, k2, k3: k = k0 + k3M/(1+k3M/k2)\n * For rate constants with k1, k2, k3: k = k1 + k2M + k3 \n\n* For rate constants with the form A<_Reference_>, k equals A times a reference that represents photolysis rate, a heteorogeneous rate constant, rate constant for the given reaction or an operator. A equals one if not given.\n\n* In the mechanism definition file, the rate is formatted as\n * A~<_HETEOROGENEOUS_>\n * A*K<_REACTION_>\n * A/<_PHOTOLYSIS_>\n * A?<_OPERATOR_>\n\n|Label|Reaction |Rate Constant Formula| Value
molecules/(sec*cm3)| \n|:---|:-------------------|:--------------------|:----:| \n| 1 | NO2 ----> NO + O3P | NO2_06 | Not Available1 | \n| 2 | O3P + O2 + M ----> O3 | 5.68E-34(T/300) -2.60 | 5.7721E-34 |\n| 3 | O3P + O3 ----> | 8.00E-12e -2060.00/T | 7.9879E-15 |\n| 4 | O3P + NO ----> NO2 | ko= 9.00E-32e 0.0/T(T/300) -1.50
ki = 3.00E-11e 0.0/T(T/300) 0.00
n= 1.00;F= 0.60 | 1.6618E-12 |\n| 5 | O3P + NO2 ----> NO | 5.50E-12e 188.00/T | 1.0333E-11 |\n| 6 | O3P + NO2 ----> NO3 | ko= 2.50E-31e 0.0/T(T/300) -1.80
ki = 2.20E-11e 0.0/T(T/300) -0.70
n= 1.00;F= 0.60 | 3.2805E-12 |\n| 7 | O3 + NO ----> NO2 | 3.00E-12e -1500.00/T | 1.9596E-14 |\n| 8 | O3 + NO2 ----> NO3 | 1.40E-13e -2470.00/T | 3.5339E-17 |\n| 9 | NO + NO3 ----> 2.000\\*NO2 | 1.80E-11e 110.00/T | 2.6032E-11 |\n| 10 | NO + NO + O2 ----> 2.000\\*NO2 | 3.30E-39e 530.00/T | 1.9522E-38 |\n| 11 | NO2 + NO3 ----> N2O5 | ko= 3.60E-30e 0.0/T(T/300) -4.10
ki = 1.90E-12e 0.0/T(T/300) 0.20
n= 1.33;F= 0.35 | 1.2406E-12 |\n| 12 | N2O5 ----> NO2 + NO3 | ko= 1.30E-03e-11000.0/T(T/300) -3.50
ki = 9.70E+14e-11080.0/T(T/300) 0.10
n= 1.33;F= 0.35 | 4.5396E-02 |\n| 13 | N2O5 + H2O ----> 2.000\\*HNO3 | 1.0000E-22 | 1.0000E-22 |\n| 14 | N2O5 + H2O + H2O ----> 2.000\\*HNO3 | 0.0000E+00 | 0.0000E+00 |\n| 15 | NO2 + NO3 ----> NO + NO2 | 4.50E-14e -1260.00/T | 6.5744E-16 |\n| 16 | NO3 ----> NO | NO3NO_06 | Not Available1 | \n| 17 | NO3 ----> NO2 + O3P | NO3NO2_6 | Not Available1 | \n| 18 | O3 ----> O1D | O3O1D_06 | Not Available1 | \n| 19 | O3 ----> O3P | O3O3P_06 | Not Available1 | \n| 20 | O1D + H2O ----> 2.000\\*OH | 1.63E-10e 60.00/T | 1.9934E-10 |\n| 21 | O1D + M ----> O3P | 2.38E-11e 96.00/T | 3.2841E-11 |\n| 22 | OH + NO ----> HONO | ko= 7.00E-31e 0.0/T(T/300) -2.60
ki = 3.60E-11e 0.0/T(T/300) -0.10
n= 1.00;F= 0.60 | 7.3998E-12 |\n| 23 | HONO ----> OH + NO | HONO_06 | Not Available1 | \n| 24 | OH + HONO ----> NO2 | 2.50E-12e 260.00/T | 5.9795E-12 |\n| 25 | OH + NO2 ----> HNO3 | ko= 3.20E-30e 0.0/T(T/300) -4.50
ki = 3.00E-11e 0.0/T(T/300) 0.00
n= 1.24;F= 0.41 | 9.8821E-12 |\n| 26 | OH + NO3 ----> HO2 + NO2 | 2.0000E-11 | 2.0000E-11 |\n| 27 | OH + HNO3 ----> NO3 | k0= 2.40E-14e 460.0/T
k1= 2.70E-17e 2199.0/T
k3= 6.50E-34e 1335.0/T | 1.5409E-13 |\n| 28 | HNO3 ----> OH + NO2 | HNO3 | Not Available1 | \n| 29 | OH + CO ----> HO2 + CO2 | k0= 1.44E-13e 0.0/T
k1= 3.43E-33e 0.0/T | 2.2843E-13 |\n| 30 | OH + O3 ----> HO2 | 1.70E-12e -940.00/T | 7.2647E-14 |\n| 31 | HO2 + NO ----> OH + NO2 | 3.60E-12e 270.00/T | 8.9042E-12 |\n| 32 | HO2 + NO2 ----> HNO4 | ko= 2.00E-31e 0.0/T(T/300) -3.40
ki = 2.90E-12e 0.0/T(T/300) -1.10
n= 1.00;F= 0.60 | 1.1385E-12 |\n| 33 | HNO4 ----> HO2 + NO2 | ko= 3.72E-05e-10650.0/T(T/300) -2.40
ki = 5.42E+15e-11170.0/T(T/300) -2.30
n= 1.00;F= 0.60 | 8.6986E-02 |\n| 34 | HNO4 ----> 0.610\\*HO2 + 0.610\\*NO2 + 0.390\\*OH + 0.390\\*NO3 | HNO4_06 | Not Available1 | \n| 35 | HNO4 + OH ----> NO2 | 1.30E-12e 380.00/T | 4.6501E-12 |\n| 36 | HO2 + O3 ----> OH | 2.03E-16e 693.00/T(T/300) 4.57 | 2.0168E-15 |\n| 37 | HO2 + HO2 ----> HO2H | k0= 2.20E-13e 600.0/T
k1= 1.90E-33e 980.0/T | 2.8975E-12 |\n| 38 | HO2 + HO2 + H2O ----> HO2H | k0= 3.08E-34e 2800.0/T
k1= 2.66E-54e 3180.0/T | 6.4973E-30 |\n| 39 | NO3 + HO2 ----> 0.800\\*OH + 0.800\\*NO2 + 0.200\\*HNO3 | 4.0000E-12 | 4.0000E-12 |\n| 40 | NO3 + NO3 ----> 2.000\\*NO2 | 8.50E-13e -2450.00/T | 2.2944E-16 |\n| 41 | HO2H ----> 2.000\\*OH | H2O2 | Not Available1 | \n| 42 | HO2H + OH ----> HO2 | 1.8000E-12 | 1.8000E-12 |\n| 43 | OH + HO2 ----> | 4.80E-11e 250.00/T | 1.1102E-10 |\n| 44 | OH + SO2 ----> HO2 + SULF + SULRXN | ko= 3.30E-31e 0.0/T(T/300) -4.30
ki = 1.60E-12e 0.0/T(T/300) 0.00
n= 1.00;F= 0.60 | 9.5810E-13 |\n| 45 | OH + H2 ----> HO2 | 7.70E-12e -2100.00/T | 6.7230E-15 |\n| BR01 | MEO2 + NO ----> NO2 + HCHO + HO2 | 2.30E-12e 360.00/T | 7.6933E-12 |\n| BR02 | MEO2 + HO2 ----> COOH | 3.46E-13e 780.00/T(T/300) 0.36 | 4.7237E-12 |\n| BR03 | MEO2 + HO2 ----> HCHO | 3.34E-14e 780.00/T(T/300) -3.53 | 4.6709E-13 |\n| BR04 | MEO2 + NO3 ----> HCHO + HO2 + NO2 | 1.3000E-12 | 1.3000E-12 |\n| BR05 | MEO2 + MEO2 ----> MEOH + HCHO | 6.39E-14e 365.00/T(T/300) -1.80 | 2.1979E-13 |\n| BR06 | MEO2 + MEO2 ----> 2.000\\*HCHO + 2.000\\*HO2 | 7.40E-13e -520.00/T | 1.2936E-13 |\n| BR07 | RO2C + NO ----> NO2 | 2.60E-12e 380.00/T | 9.3002E-12 |\n| BR08 | RO2C + HO2 ----> | 3.80E-13e 900.00/T | 7.7759E-12 |\n| BR09 | RO2C + NO3 ----> NO2 | 2.3000E-12 | 2.3000E-12 |\n| BR10 | RO2C + MEO2 ----> 0.500\\*HO2 + 0.750\\*HCHO + 0.250\\*MEOH | 2.0000E-13 | 2.0000E-13 |\n| BR11 | RO2C + RO2C ----> | 3.5000E-14 | 3.5000E-14 |\n| BR12 | RO2XC + NO ----> | BR07 | 9.3002E-127| \n| BR13 | RO2XC + HO2 ----> | BR08 | 7.7759E-127| \n| BR14 | RO2XC + NO3 ----> NO2 | BR09 | 2.3000E-127| \n| BR15 | RO2XC + MEO2 ----> 0.500\\*HO2 + 0.750\\*HCHO + 0.250\\*MEOH | BR10 | 2.0000E-137| \n| BR16 | RO2XC + RO2C ----> | BR11 | 3.5000E-147| \n| BR17 | RO2XC + RO2XC ----> | BR11 | 3.5000E-147| \n| BR18 | MECO3 + NO2 ----> PAN | ko= 2.70E-28e 0.0/T(T/300) -7.10
ki = 1.21E-11e 0.0/T(T/300) -0.90
n= 1.41;F= 0.30 | 9.4624E-12 |\n| BR19 | PAN ----> MECO3 + NO2 | ko= 4.90E-03e-12100.0/T(T/300) 0.00
ki = 4.00E+16e-13600.0/T(T/300) 0.00
n= 1.41;F= 0.30 | 4.7483E-04 |\n| BR20 | PAN ----> 0.600\\*MECO3 + 0.600\\*NO2 + 0.400\\*MEO2 + 0.400\\*CO2 + 0.400\\*NO3 | PAN | Not Available1 | \n| BR21 | MECO3 + NO ----> MEO2 + CO2 + NO2 | 7.50E-12e 290.00/T | 1.9837E-11 |\n| BR22 | MECO3 + HO2 ----> 0.105\\*CCOOOH + 0.045\\*CCOOH + 0.150\\*O3 + 0.440\\*OH + 0.440\\*MEO2 + 0.440\\*CO2 | 5.20E-13e 980.00/T | 1.3916E-11 |\n| BR23 | MECO3 + NO3 ----> MEO2 + CO2 + NO2 | BR09 | 2.3000E-127| \n| BR24 | MECO3 + MEO2 ----> 0.100\\*CCOOH + HCHO + 0.900\\*HO2 + 0.900\\*MEO2 + 0.900\\*CO2 | 2.00E-12e 500.00/T | 1.0699E-11 |\n| BR25 | MECO3 + RO2C ----> MEO2 + CO2 | 4.40E-13e 1070.00/T | 1.5924E-11 |\n| BR26 | MECO3 + RO2XC ----> MEO2 + CO2 | BR25 | 1.5924E-117| \n| BR27 | MECO3 + MECO3 ----> 2.000\\*MEO2 + 2.000\\*CO2 | 2.90E-12e 500.00/T | 1.5514E-11 |\n| BR28 | RCO3 + NO2 ----> PAN2 | 1.21E-11e 0.00/T(T/300) -1.07 | 1.2180E-11 |\n| BR29 | PAN2 ----> RCO3 + NO2 | 8.30E+16e-13940.00/T | 4.1081E-04 |\n| BR30 | PAN2 ----> 0.600\\*RCO3 + 0.600\\*NO2 + 0.400\\*RO2C + 0.400\\*xHO2 + 0.400\\*yROOH + 0.400\\*xCCHO + 0.400\\*CO2 + 0.400\\*NO3 | PAN | Not Available1 | \n| BR31 | RCO3 + NO ----> NO2 + RO2C + xHO2 + yROOH + xCCHO + CO2 | 6.70E-12e 340.00/T | 2.0957E-11 |\n| BR32 | RCO3 + HO2 ----> 0.307\\*RCOOOH + 0.102\\*RCOOH + 0.150\\*O3 + 0.440\\*OH + 0.440\\*xHO2 + 0.440\\*RO2C + 0.440\\*CO2 + 0.440\\*xCCHO + 0.440\\*yROOH | BR22 | 1.3916E-117| \n| BR33 | RCO3 + NO3 ----> NO2 + RO2C + xHO2 + yROOH + xCCHO + CO2 | BR09 | 2.3000E-127| \n| BR34 | RCO3 + MEO2 ----> HCHO + HO2 + RO2C + xHO2 + xCCHO + yROOH + CO2 | BR24 | 1.0699E-117| \n| BR35 | RCO3 + RO2C ----> RO2C + xHO2 + xCCHO + yROOH + CO2 | BR25 | 1.5924E-117| \n| BR36 | RCO3 + RO2XC ----> RO2C + xHO2 + xCCHO + yROOH + CO2 | BR25 | 1.5924E-117| \n| BR37 | RCO3 + MECO3 ----> 2.000\\*CO2 + MEO2 + RO2C + xHO2 + yROOH + xCCHO | BR27 | 1.5514E-117| \n| BR38 | RCO3 + RCO3 ----> 2.000\\*RO2C + 2.000\\*xHO2 + 2.000\\*xCCHO + 2.000\\*yROOH + 2.000\\*CO2 | BR27 | 1.5514E-117| \n| BR39 | BZCO3 + NO2 ----> PBZN | 1.3700E-11 | 1.3700E-11 |\n| BR40 | PBZN ----> BZCO3 + NO2 | 7.90E+16e-14000.00/T | 3.1974E-04 |\n| BR41 | PBZN ----> 0.600\\*BZCO3 + 0.600\\*NO2 + 0.400\\*CO2 + 0.400\\*BZO + 0.400\\*RO2C + 0.400\\*NO3 | PAN | Not Available1 | \n| BR42 | BZCO3 + NO ----> NO2 + CO2 + BZO + RO2C | BR31 | 2.0957E-117| \n| BR43 | BZCO3 + HO2 ----> 0.307\\*RCOOOH + 0.102\\*RCOOH + 0.150\\*O3 + 0.440\\*OH + 0.440\\*BZO + 0.440\\*RO2C + 0.440\\*CO2 | BR22 | 1.3916E-117| \n| BR44 | BZCO3 + NO3 ----> NO2 + CO2 + BZO + RO2C | BR09 | 2.3000E-127| \n| BR45 | BZCO3 + MEO2 ----> HCHO + HO2 + RO2C + BZO + CO2 | BR24 | 1.0699E-117| \n| BR46 | BZCO3 + RO2C ----> RO2C + BZO + CO2 | BR25 | 1.5924E-117| \n| BR47 | BZCO3 + RO2XC ----> RO2C + BZO + CO2 | BR25 | 1.5924E-117| \n| BR48 | BZCO3 + MECO3 ----> 2.000\\*CO2 + MEO2 + BZO + RO2C | BR27 | 1.5514E-117| \n| BR49 | BZCO3 + RCO3 ----> 2.000\\*CO2 + 2.000\\*RO2C + xHO2 + yROOH + xCCHO + BZO | BR27 | 1.5514E-117| \n| BR50 | BZCO3 + BZCO3 ----> 2.000\\*BZO + 2.000\\*RO2C + 2.000\\*CO2 | BR27 | 1.5514E-117| \n| BR51 | MACO3 + NO2 ----> MAPAN | BR28 | 1.2180E-117| \n| BR52 | MAPAN ----> MACO3 + NO2 | 1.60E+16e-13486.00/T | 3.6308E-04 |\n| BR53 | MAPAN ----> 0.600\\*MACO3 + 0.600\\*NO2 + 0.400\\*CO2 + 0.400\\*HCHO + 0.400\\*MECO3 + 0.400\\*NO3 | PAN | Not Available1 | \n| BR64 | TBUO + NO2 ----> RNO3 | 2.4000E-11 | 2.4000E-11 |\n| BR65 | TBUO ----> ACETONE + MEO2 | 7.50E+14e -8152.00/T | 1.0014E+03 |\n| BR66 | BZO + NO2 ----> NPHE | 2.30E-11e 150.00/T | 3.8038E-11 |\n| BR67 | BZO + HO2 ----> CRES | BR08 | 7.7759E-127| \n| BR68 | BZO ----> CRES + RO2C + xHO2 | 1.0000E-03 | 1.0000E-03 |\n| R019 | xHO2 + NO ----> NO + HO2 | BR07 | 9.3002E-127| \n| R020 | xHO2 + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| R021 | xHO2 + NO3 ----> NO3 + HO2 | BR09 | 2.3000E-127| \n| R022 | xHO2 + MEO2 ----> MEO2 + 0.500\\*HO2 | BR10 | 2.0000E-137| \n| R023 | xHO2 + RO2C ----> RO2C + 0.500\\*HO2 | BR11 | 3.5000E-147| \n| R024 | xHO2 + RO2XC ----> RO2XC + 0.500\\*HO2 | BR11 | 3.5000E-147| \n| R025 | xHO2 + MECO3 ----> MECO3 + HO2 | BR25 | 1.5924E-117| \n| R026 | xHO2 + RCO3 ----> RCO3 + HO2 | BR25 | 1.5924E-117| \n| R027 | xHO2 + BZCO3 ----> BZCO3 + HO2 | BR25 | 1.5924E-117| \n| R028 | xHO2 + MACO3 ----> MACO3 + HO2 | BR25 | 1.5924E-117| \n| R029 | xOH + NO ----> NO + OH | BR07 | 9.3002E-127| \n| R030 | xOH + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| R031 | xOH + NO3 ----> NO3 + OH | BR09 | 2.3000E-127| \n| R032 | xOH + MEO2 ----> MEO2 + 0.500\\*OH | BR10 | 2.0000E-137| \n| R033 | xOH + RO2C ----> RO2C + 0.500\\*OH | BR11 | 3.5000E-147| \n| R034 | xOH + RO2XC ----> RO2XC + 0.500\\*OH | BR11 | 3.5000E-147| \n| R035 | xOH + MECO3 ----> MECO3 + OH | BR25 | 1.5924E-117| \n| R036 | xOH + RCO3 ----> RCO3 + OH | BR25 | 1.5924E-117| \n| R037 | xOH + BZCO3 ----> BZCO3 + OH | BR25 | 1.5924E-117| \n| R038 | xOH + MACO3 ----> MACO3 + OH | BR25 | 1.5924E-117| \n| R039 | xNO2 + NO ----> NO + NO2 | BR07 | 9.3002E-127| \n| R040 | xNO2 + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| R041 | xNO2 + NO3 ----> NO3 + NO2 | BR09 | 2.3000E-127| \n| R042 | xNO2 + MEO2 ----> MEO2 + 0.500\\*NO2 | BR10 | 2.0000E-137| \n| R043 | xNO2 + RO2C ----> RO2C + 0.500\\*NO2 | BR11 | 3.5000E-147| \n| R044 | xNO2 + RO2XC ----> RO2XC + 0.500\\*NO2 | BR11 | 3.5000E-147| \n| R045 | xNO2 + MECO3 ----> MECO3 + NO2 | BR25 | 1.5924E-117| \n| R046 | xNO2 + RCO3 ----> RCO3 + NO2 | BR25 | 1.5924E-117| \n| R047 | xNO2 + BZCO3 ----> BZCO3 + NO2 | BR25 | 1.5924E-117| \n| R048 | xNO2 + MACO3 ----> MACO3 + NO2 | BR25 | 1.5924E-117| \n| R049 | xMEO2 + NO ----> NO + MEO2 | BR07 | 9.3002E-127| \n| R050 | xMEO2 + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| R051 | xMEO2 + NO3 ----> NO3 + MEO2 | BR09 | 2.3000E-127| \n| R052 | xMEO2 + MEO2 ----> 1.500\\*MEO2 | BR10 | 2.0000E-137| \n| R053 | xMEO2 + RO2C ----> RO2C + 0.500\\*MEO2 | BR11 | 3.5000E-147| \n| R054 | xMEO2 + RO2XC ----> RO2XC + 0.500\\*MEO2 | BR11 | 3.5000E-147| \n| R055 | xMEO2 + MECO3 ----> MECO3 + MEO2 | BR25 | 1.5924E-117| \n| R056 | xMEO2 + RCO3 ----> RCO3 + MEO2 | BR25 | 1.5924E-117| \n| R057 | xMEO2 + BZCO3 ----> BZCO3 + MEO2 | BR25 | 1.5924E-117| \n| R058 | xMEO2 + MACO3 ----> MACO3 + MEO2 | BR25 | 1.5924E-117| \n| R059 | xMECO3 + NO ----> NO + MECO3 | BR07 | 9.3002E-127| \n| R060 | xMECO3 + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| R061 | xMECO3 + NO3 ----> NO3 + MECO3 | BR09 | 2.3000E-127| \n| R062 | xMECO3 + MEO2 ----> MEO2 + 0.500\\*MECO3 | BR10 | 2.0000E-137| \n| R063 | xMECO3 + RO2C ----> RO2C + 0.500\\*MECO3 | BR11 | 3.5000E-147| \n| R064 | xMECO3 + RO2XC ----> RO2XC + 0.500\\*MECO3 | BR11 | 3.5000E-147| \n| R065 | xMECO3 + MECO3 ----> 2.000\\*MECO3 | BR25 | 1.5924E-117| \n| R066 | xMECO3 + RCO3 ----> RCO3 + MECO3 | BR25 | 1.5924E-117| \n| R067 | xMECO3 + BZCO3 ----> BZCO3 + MECO3 | BR25 | 1.5924E-117| \n| R068 | xMECO3 + MACO3 ----> MACO3 + MECO3 | BR25 | 1.5924E-117| \n| R069 | xRCO3 + NO ----> NO + RCO3 | BR07 | 9.3002E-127| \n| R070 | xRCO3 + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| R071 | xRCO3 + NO3 ----> NO3 + RCO3 | BR09 | 2.3000E-127| \n| R072 | xRCO3 + MEO2 ----> MEO2 + 0.500\\*RCO3 | BR10 | 2.0000E-137| \n| R073 | xRCO3 + RO2C ----> RO2C + 0.500\\*RCO3 | BR11 | 3.5000E-147| \n| R074 | xRCO3 + RO2XC ----> RO2XC + 0.500\\*RCO3 | BR11 | 3.5000E-147| \n| R075 | xRCO3 + MECO3 ----> MECO3 + RCO3 | BR25 | 1.5924E-117| \n| R076 | xRCO3 + RCO3 ----> 2.000\\*RCO3 | BR25 | 1.5924E-117| \n| R077 | xRCO3 + BZCO3 ----> BZCO3 + RCO3 | BR25 | 1.5924E-117| \n| R078 | xRCO3 + MACO3 ----> MACO3 + RCO3 | BR25 | 1.5924E-117| \n| R079 | xMACO3 + NO ----> NO + MACO3 | BR07 | 9.3002E-127| \n| R080 | xMACO3 + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| R081 | xMACO3 + NO3 ----> NO3 + MACO3 | BR09 | 2.3000E-127| \n| R082 | xMACO3 + MEO2 ----> MEO2 + 0.500\\*MACO3 | BR10 | 2.0000E-137| \n| R083 | xMACO3 + RO2C ----> RO2C + 0.500\\*MACO3 | BR11 | 3.5000E-147| \n| R084 | xMACO3 + RO2XC ----> RO2XC + 0.500\\*MACO3 | BR11 | 3.5000E-147| \n| R085 | xMACO3 + MECO3 ----> MECO3 + MACO3 | BR25 | 1.5924E-117| \n| R086 | xMACO3 + RCO3 ----> RCO3 + MACO3 | BR25 | 1.5924E-117| \n| R087 | xMACO3 + BZCO3 ----> BZCO3 + MACO3 | BR25 | 1.5924E-117| \n| R088 | xMACO3 + MACO3 ----> 2.000\\*MACO3 | BR25 | 1.5924E-117| \n| R089 | xTBUO + NO ----> NO + TBUO | BR07 | 9.3002E-127| \n| R090 | xTBUO + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| R091 | xTBUO + NO3 ----> NO3 + TBUO | BR09 | 2.3000E-127| \n| R092 | xTBUO + MEO2 ----> MEO2 + 0.500\\*TBUO | BR10 | 2.0000E-137| \n| R093 | xTBUO + RO2C ----> RO2C + 0.500\\*TBUO | BR11 | 3.5000E-147| \n| R094 | xTBUO + RO2XC ----> RO2XC + 0.500\\*TBUO | BR11 | 3.5000E-147| \n| R095 | xTBUO + MECO3 ----> MECO3 + TBUO | BR25 | 1.5924E-117| \n| R096 | xTBUO + RCO3 ----> RCO3 + TBUO | BR25 | 1.5924E-117| \n| R097 | xTBUO + BZCO3 ----> BZCO3 + TBUO | BR25 | 1.5924E-117| \n| R098 | xTBUO + MACO3 ----> MACO3 + TBUO | BR25 | 1.5924E-117| \n| R099 | xCO + NO ----> NO + CO | BR07 | 9.3002E-127| \n| R100 | xCO + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| R101 | xCO + NO3 ----> NO3 + CO | BR09 | 2.3000E-127| \n| R102 | xCO + MEO2 ----> MEO2 + 0.500\\*CO | BR10 | 2.0000E-137| \n| R103 | xCO + RO2C ----> RO2C + 0.500\\*CO | BR11 | 3.5000E-147| \n| R104 | xCO + RO2XC ----> RO2XC + 0.500\\*CO | BR11 | 3.5000E-147| \n| R105 | xCO + MECO3 ----> MECO3 + CO | BR25 | 1.5924E-117| \n| R106 | xCO + RCO3 ----> RCO3 + CO | BR25 | 1.5924E-117| \n| R107 | xCO + BZCO3 ----> BZCO3 + CO | BR25 | 1.5924E-117| \n| R108 | xCO + MACO3 ----> MACO3 + CO | BR25 | 1.5924E-117| \n| BP01 | HCHO ----> 2.000\\*HO2 + CO | HCHOR_06 | Not Available1 | \n| BP02 | HCHO ----> CO | HCHOM_06 | Not Available1 | \n| BP03 | HCHO + OH ----> HO2 + CO | 5.40E-12e 135.00/T | 8.4926E-12 |\n| BP07 | HCHO + NO3 ----> HNO3 + HO2 + CO | 2.00E-12e -2431.00/T | 5.7539E-16 |\n| BP08 | CCHO + OH ----> MECO3 | 4.40E-12e 365.00/T | 1.4967E-11 |\n| BP09 | CCHO ----> CO + HO2 + MEO2 | CCHO_R | Not Available1 | \n| BP10 | CCHO + NO3 ----> HNO3 + MECO3 | 1.40E-12e -1860.00/T | 2.7340E-15 |\n| BP11 | RCHO + OH ----> 0.965\\*RCO3 + 0.035\\*RO2C + 0.035\\*xHO2 + 0.035\\*xCO + 0.035\\*xCCHO + 0.035\\*yROOH | 5.10E-12e 405.00/T | 1.9838E-11 |\n| BP12 | RCHO ----> RO2C + xHO2 + yROOH + xCCHO + CO + HO2 | C2CHO | Not Available1 | \n| BP13 | RCHO + NO3 ----> HNO3 + RCO3 | 1.40E-12e -1601.00/T | 6.5172E-15 |\n| BP14 | ACETONE + OH ----> RO2C + xMECO3 + xHCHO + yROOH | 4.56E-14e 429.00/T(T/300) 3.65 | 1.8796E-13 |\n| BP15 | ACETONE ----> 0.620\\*MECO3 + 1.380\\*MEO2 + 0.380\\*CO | 5.0000E-01\\*ACET_06 | Not Available1 | \n| BP16 | MEK + OH ----> 0.967\\*RO2C + 0.039\\*RO2XC + 0.039\\*zRNO3 + 0.376\\*xHO2 + 0.510\\*xMECO3 + 0.074\\*xRCO3 + 0.088\\*xHCHO + 0.504\\*xCCHO + 0.376\\*xRCHO + yROOH | 1.30E-12e -25.00/T(T/300) 2.00 | 1.1807E-12 |\n| BP17 | MEK ----> MECO3 + RO2C + xHO2 + xCCHO + yROOH | 1.7500E-01\\*MEK_06 | Not Available1 | \n| BP18 | MEOH + OH ----> HCHO + HO2 | 2.85E-12e -345.00/T | 8.9600E-13 |\n| BP19 | HCOOH + OH ----> HO2 + CO2 | 4.5000E-13 | 4.5000E-13 |\n| BP20 | CCOOH + OH ----> 0.509\\*MEO2 + 0.491\\*RO2C + 0.509\\*CO2 + 0.491\\*xHO2 + 0.491\\*xMGLY + 0.491\\*yROOH | 4.20E-14e 855.00/T | 7.3904E-13 |\n| BP21 | RCOOH + OH ----> RO2C + xHO2 + 0.143\\*CO2 + 0.142\\*xCCHO + 0.400\\*xRCHO + 0.457\\*xBACL + yROOH | 1.2000E-12 | 1.2000E-12 |\n| BP22 | COOH + OH ----> 0.300\\*HCHO + 0.300\\*OH + 0.700\\*MEO2 | 3.80E-12e 200.00/T | 7.4321E-12 |\n| BP23 | COOH ----> HCHO + HO2 + OH | COOH | Not Available1 | \n| BP24 | ROOH + OH ----> 0.744\\*OH + 0.251\\*RO2C + 0.004\\*RO2XC + 0.004\\*zRNO3 + 0.744\\*RCHO + 0.239\\*xHO2 + 0.012\\*xOH + 0.012\\*xHCHO + 0.012\\*xCCHO + 0.205\\*xRCHO + 0.034\\*xPROD2 + 0.256\\*yROOH | 2.5000E-11 | 2.5000E-11 |\n| BP25 | ROOH ----> RCHO + HO2 + OH | COOH | Not Available1 | \n| BP26 | R6OOH + OH ----> 0.840\\*OH + 0.222\\*RO2C + 0.029\\*RO2XC + 0.029\\*zRNO3 + 0.840\\*PRD2 + 0.090\\*xHO2 + 0.041\\*xOH + 0.020\\*xCCHO + 0.075\\*xRCHO + 0.084\\*xPROD2 + 0.160\\*yROOH | 5.6000E-11 | 5.6000E-11 |\n| BP27 | R6OOH ----> OH + 0.142\\*HO2 + 0.782\\*RO2C + 0.077\\*RO2XC + 0.077\\*zRNO3 + 0.085\\*RCHO + 0.142\\*PRD2 + 0.782\\*xHO2 + 0.026\\*xCCHO + 0.058\\*xRCHO + 0.698\\*xPROD2 + 0.858\\*yR6OOH | COOH | Not Available1 | \n| BP28 | RAOOH + OH ----> 0.139\\*OH + 0.148\\*HO2 + 0.589\\*RO2C + 0.124\\*RO2XC + 0.124\\*zRNO3 + 0.074\\*PRD2 + 0.147\\*MGLY + 0.139\\*IPRD + 0.565\\*xHO2 + 0.024\\*xOH + 0.448\\*xRCHO + 0.026\\*xGLY + 0.030\\*xMEK + 0.252\\*xMGLY + 0.073\\*xAFG1 + 0.073\\*xAFG2 + 0.713\\*yR6OOH | 1.4100E-10 | 1.4100E-10 |\n| BP29 | RAOOH ----> OH + HO2 + 0.500\\*GLY + 0.500\\*MGLY + 0.500\\*AFG1 + 0.500\\*AFG2 | COOH | Not Available1 | \n| BP30 | GLY ----> 2.000\\*CO + 2.000\\*HO2 | GLY_07R | Not Available1 | \n| BP31 | GLY ----> HCHO + CO | GLY_07M | Not Available1 | \n| BP32 | GLY + OH ----> 0.700\\*HO2 + 1.400\\*CO + 0.300\\*HCOCO3 | 3.10E-12e 342.20/T | 9.7683E-12 |\n| BP33 | GLY + NO3 ----> HNO3 + 0.700\\*HO2 + 1.400\\*CO + 0.300\\*HCOCO3 | 2.80E-12e -2390.00/T | 9.2429E-16 |\n| BP34 | MGLY ----> HO2 + CO + MECO3 | MGLY_06 | Not Available1 | \n| BP35 | MGLY + OH ----> CO + MECO3 | 1.5000E-11 | 1.5000E-11 |\n| BP36 | MGLY + NO3 ----> HNO3 + CO + MECO3 | 1.40E-12e -1895.00/T | 2.4312E-15 |\n| BP37 | BACL ----> 2.000\\*MECO3 | BACL_07 | Not Available1 | \n| BP38 | CRES + OH ----> 0.200\\*BZO + 0.800\\*RO2C + 0.800\\*xHO2 + 0.800\\*yR6OOH + 0.250\\*xMGLY | 1.70E-12e 950.00/T | 4.1138E-11 |\n| BP39 | CRES + NO3 ----> HNO3 + BZO | 1.4000E-11 | 1.4000E-11 |\n| BP40 | NPHE + OH ----> BZO | 3.5000E-12 | 3.5000E-12 |\n| BP41 | NPHE ----> HONO | 1.5000E-03\\*NO2_06 | Not Available1 | \n| BP42 | NPHE ----> | 1.5000E-02\\*NO2_06 | Not Available1 | \n| BP43 | BALD + OH ----> BZCO3 | 1.2000E-11 | 1.2000E-11 |\n| BP44 | BALD ----> | 6.0000E-02\\*BALD_06 | Not Available1 | \n| BP45 | BALD + NO3 ----> HNO3 + BZCO3 | 1.34E-12e -1860.00/T | 2.6168E-15 |\n| BP46 | AFG1 + OH ----> 0.217\\*MACO3 + 0.723\\*RO2C + 0.060\\*RO2XC + 0.060\\*zRNO3 + 0.521\\*xHO2 + 0.201\\*xMECO3 + 0.334\\*xCO + 0.407\\*xRCHO + 0.129\\*xMEK + 0.107\\*xGLY + 0.267\\*xMGLY + 0.783\\*yR6OOH | 7.4000E-11 | 7.4000E-11 |\n| BP47 | AFG1 + O3 ----> 0.826\\*OH + 0.522\\*HO2 + 0.652\\*RO2C + 0.522\\*CO + 0.174\\*CO2 + 0.432\\*GLY + 0.568\\*MGLY + 0.652\\*xRCO3 + 0.652\\*xHCHO + 0.652\\*yR6OOH | 9.6600E-18 | 9.6600E-18 |\n| BP48 | AFG1 ----> 1.023\\*HO2 + 0.173\\*MEO2 + 0.305\\*MECO3 + 0.500\\*MACO3 + 0.695\\*CO + 0.195\\*GLY + 0.305\\*MGLY | AFG1 | Not Available1 | \n| BP49 | AFG2 + OH ----> 0.217\\*MACO3 + 0.723\\*RO2C + 0.060\\*RO2XC + 0.060\\*zRNO3 + 0.521\\*xHO2 + 0.201\\*xMECO3 + 0.334\\*xCO + 0.407\\*xRCHO + 0.129\\*xMEK + 0.107\\*xGLY + 0.267\\*xMGLY + 0.783\\*yR6OOH | 7.4000E-11 | 7.4000E-11 |\n| BP50 | AFG2 + O3 ----> 0.826\\*OH + 0.522\\*HO2 + 0.652\\*RO2C + 0.522\\*CO + 0.174\\*CO2 + 0.432\\*GLY + 0.568\\*MGLY + 0.652\\*xRCO3 + 0.652\\*xHCHO + 0.652\\*yR6OOH | 9.6600E-18 | 9.6600E-18 |\n| BP51 | AFG2 ----> PRD2 | AFG1 | Not Available1 | \n| BP52 | AFG3 + OH ----> 0.206\\*MACO3 + 0.733\\*RO2C + 0.117\\*RO2XC + 0.117\\*zRNO3 + 0.561\\*xHO2 + 0.117\\*xMECO3 + 0.114\\*xCO + 0.274\\*xGLY + 0.153\\*xMGLY + 0.019\\*xBACL + 0.195\\*xAFG1 + 0.195\\*xAFG2 + 0.231\\*xIPRD + 0.794\\*yR6OOH | 9.3500E-11 | 9.3500E-11 |\n| BP53 | AFG3 + O3 ----> 0.471\\*OH + 0.554\\*HO2 + 0.013\\*MECO3 + 0.258\\*RO2C + 0.007\\*RO2XC + 0.007\\*zRNO3 + 0.580\\*CO + 0.190\\*CO2 + 0.366\\*GLY + 0.184\\*MGLY + 0.350\\*AFG1 + 0.350\\*AFG2 + 0.139\\*AFG3 + 0.003\\*MACR + 0.004\\*MVK + 0.003\\*IPRD + 0.095\\*xHO2 + 0.163\\*xRCO3 + 0.163\\*xHCHO + 0.095\\*xMGLY + 0.264\\*yR6OOH | 1.4300E-17 | 1.4300E-17 |\n| BP55 | MACR + O3 ----> 0.208\\*OH + 0.108\\*HO2 + 0.100\\*RO2C + 0.450\\*CO + 0.117\\*CO2 + 0.100\\*HCHO + 0.900\\*MGLY + 0.333\\*HCOOH + 0.100\\*xRCO3 + 0.100\\*xHCHO + 0.100\\*yROOH | 1.40E-15e -2100.00/T | 1.2224E-18 |\n| BP57 | MACR + O3P ----> RCHO | 6.3400E-12 | 6.3400E-12 |\n| BP60 | MVK + O3 ----> 0.164\\*OH + 0.064\\*HO2 + 0.050\\*RO2C + 0.050\\*xHO2 + 0.475\\*CO + 0.124\\*CO2 + 0.050\\*HCHO + 0.950\\*MGLY + 0.351\\*HCOOH + 0.050\\*xRCO3 + 0.050\\*xHCHO + 0.050\\*yROOH | 8.50E-16e -1520.00/T | 5.1921E-18 |\n| BP62 | MVK + O3P ----> 0.450\\*RCHO + 0.550\\*MEK | 4.3200E-12 | 4.3200E-12 |\n| BP63 | MVK ----> 0.400\\*MEO2 + 0.600\\*CO + 0.600\\*PRD2 + 0.400\\*MACO3 | MVK_06 | Not Available1 | \n| BP64 | IPRD + OH ----> 0.289\\*MACO3 + 0.670\\*RO2C + 0.670\\*xHO2 + 0.041\\*RO2XC + 0.041\\*zRNO3 + 0.336\\*xCO + 0.055\\*xHCHO + 0.129\\*xHOCCHO + 0.013\\*xRCHO + 0.150\\*xMEK + 0.332\\*xPROD2 + 0.150\\*xGLY + 0.174\\*xMGLY + 0.711\\*yR6OOH | 6.1900E-11 | 6.1900E-11 |\n| BP65 | IPRD + O3 ----> 0.285\\*OH + 0.400\\*HO2 + 0.048\\*RO2C + 0.048\\*xRCO3 + 0.498\\*CO + 0.140\\*CO2 + 0.124\\*HCHO + 0.210\\*MEK + 0.023\\*GLY + 0.742\\*MGLY + 0.100\\*HCOOH + 0.372\\*RCOOH + 0.047\\*xHOCCHO + 0.001\\*xHCHO + 0.048\\*yR6OOH | 4.1800E-18 | 4.1800E-18 |\n| BP66 | IPRD + NO3 ----> 0.150\\*MACO3 + 0.150\\*HNO3 + 0.799\\*RO2C + 0.799\\*xHO2 + 0.051\\*RO2XC + 0.051\\*zRNO3 + 0.572\\*xCO + 0.227\\*xHCHO + 0.218\\*xRCHO + 0.008\\*xMGLY + 0.572\\*xRNO3 + 0.850\\*yR6OOH | 1.0000E-13 | 1.0000E-13 |\n| BP67 | IPRD ----> 1.233\\*HO2 + 0.467\\*MECO3 + 0.300\\*RCO3 + 1.233\\*CO + 0.300\\*HCHO + 0.467\\*HOCCHO + 0.233\\*MEK | MACR_06 | Not Available1 | \n| BP68 | PRD2 + OH ----> 0.472\\*HO2 + 0.379\\*xHO2 + 0.029\\*xMECO3 + 0.049\\*xRCO3 + 0.473\\*RO2C + 0.071\\*RO2XC + 0.071\\*zRNO3 + 0.002\\*HCHO + 0.211\\*xHCHO + 0.001\\*CCHO + 0.083\\*xCCHO + 0.143\\*RCHO + 0.402\\*xRCHO + 0.115\\*xMEK + 0.329\\*PRD2 + 0.007\\*xPROD2 + 0.528\\*yR6OOH | 1.5500E-11 | 1.5500E-11 |\n| BP69 | PRD2 ----> 0.913\\*xHO2 + 0.400\\*MECO3 + 0.600\\*RCO3 + 1.590\\*RO2C + 0.087\\*RO2XC + 0.087\\*zRNO3 + 0.303\\*xHCHO + 0.163\\*xCCHO + 0.780\\*xRCHO + yR6OOH | 4.8600E-03\\*MEK_06 | Not Available1 | \n| BP70 | RNO3 + OH ----> 0.189\\*HO2 + 0.305\\*xHO2 + 0.019\\*NO2 + 0.313\\*xNO2 + 0.976\\*RO2C + 0.175\\*RO2XC + 0.175\\*zRNO3 + 0.011\\*xHCHO + 0.429\\*xCCHO + 0.001\\*RCHO + 0.036\\*xRCHO + 0.004\\*xACETONE + 0.010\\*MEK + 0.170\\*xMEK + 0.008\\*PRD2 + 0.031\\*xPROD2 + 0.189\\*RNO3 + 0.305\\*xRNO3 + 0.157\\*yROOH + 0.636\\*yR6OOH | 7.2000E-12 | 7.2000E-12 |\n| BP71 | RNO3 ----> 0.344\\*HO2 + 0.554\\*xHO2 + NO2 + 0.721\\*RO2C + 0.102\\*RO2XC + 0.102\\*zRNO3 + 0.074\\*HCHO + 0.061\\*xHCHO + 0.214\\*CCHO + 0.230\\*xCCHO + 0.074\\*RCHO + 0.063\\*xRCHO + 0.008\\*xACETONE + 0.124\\*MEK + 0.083\\*xMEK + 0.190\\*PRD2 + 0.261\\*xPROD2 + 0.066\\*yROOH + 0.591\\*yR6OOH | IC3ONO2 | Not Available1 | \n| BP73 | HOCCHO ----> CO + 2.000\\*HO2 + HCHO | HOCCHO_IUPAC | Not Available1 | \n| BP74 | HOCCHO + NO3 ----> HNO3 + MECO3 | BP10 | 2.7340E-157| \n| BP75 | ACROLEIN + OH ----> 0.250\\*xHO2 + 0.750\\*MACO3 + 0.250\\*RO2C + 0.167\\*xCO + 0.083\\*xHCHO + 0.167\\*xCCHO + 0.083\\*xGLY + 0.250\\*yROOH | 1.9900E-11 | 1.9900E-11 |\n| BP76 | ACROLEIN + O3 ----> 0.830\\*HO2 + 0.330\\*OH + 1.005\\*CO + 0.310\\*CO2 + 0.500\\*HCHO + 0.185\\*HCOOH + 0.500\\*GLY | 1.40E-15e -2528.00/T | 2.9091E-19 |\n| BP77 | ACROLEIN + NO3 ----> 0.031\\*xHO2 + 0.967\\*MACO3 + 0.031\\*RO2C + 0.002\\*RO2XC + 0.002\\*zRNO3 + 0.967\\*HNO3 + 0.031\\*xCO + 0.031\\*xRNO3 + 0.033\\*yROOH | 1.1800E-15 | 1.1800E-15 |\n| BP78 | ACROLEIN + O3P ----> RCHO | 2.3700E-12 | 2.3700E-12 |\n| BP79 | ACROLEIN ----> 1.066\\*HO2 + 0.178\\*OH + 0.234\\*MEO2 + 0.330\\*MACO3 + 1.188\\*CO + 0.102\\*CO2 + 0.340\\*HCHO + 0.050\\*CCOOH | ACRO_09 | Not Available1 | \n| BP80 | CCOOOH + OH ----> 0.980\\*MECO3 + 0.020\\*RO2C + 0.020\\*CO2 + 0.020\\*xOH + 0.020\\*xHCHO + 0.020\\*yROOH | 5.2800E-12 | 5.2800E-12 |\n| BP81 | CCOOOH ----> MEO2 + CO2 + OH | PAA | Not Available1 | \n| BP82 | RCOOOH + OH ----> 0.806\\*RCO3 + 0.194\\*RO2C + 0.194\\*yROOH + 0.110\\*CO2 + 0.110\\*xOH + 0.110\\*xCCHO + 0.084\\*xHO2 + 0.084\\*xRCHO | 6.4200E-12 | 6.4200E-12 |\n| BP83 | RCOOOH ----> xHO2 + xCCHO + yROOH + CO2 + OH | PAA | Not Available1 | \n| BP84 | HCOCO3 + NO ----> HO2 + CO + CO2 + NO2 | BR31 | 2.0957E-117| \n| BP85 | HCOCO3 + NO2 ----> HO2 + CO + CO2 + NO3 | BR28 | 1.2180E-117| \n| BP86 | HCOCO3 + HO2 ----> 0.440\\*OH + 0.440\\*HO2 + 0.440\\*CO + 0.440\\*CO2 + 0.560\\*GLY + 0.150\\*O3 | BR22 | 1.3916E-117| \n| P001 | xHCHO + NO ----> NO + HCHO | BR07 | 9.3002E-127| \n| P002 | xHCHO + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| P003 | xHCHO + NO3 ----> NO3 + HCHO | BR09 | 2.3000E-127| \n| P004 | xHCHO + MEO2 ----> MEO2 + 0.500\\*HCHO | BR10 | 2.0000E-137| \n| P005 | xHCHO + RO2C ----> RO2C + 0.500\\*HCHO | BR11 | 3.5000E-147| \n| P006 | xHCHO + RO2XC ----> RO2XC + 0.500\\*HCHO | BR11 | 3.5000E-147| \n| P007 | xHCHO + MECO3 ----> MECO3 + HCHO | BR25 | 1.5924E-117| \n| P008 | xHCHO + RCO3 ----> RCO3 + HCHO | BR25 | 1.5924E-117| \n| P009 | xHCHO + BZCO3 ----> BZCO3 + HCHO | BR25 | 1.5924E-117| \n| P010 | xHCHO + MACO3 ----> MACO3 + HCHO | BR25 | 1.5924E-117| \n| P011 | xCCHO + NO ----> NO + CCHO | BR07 | 9.3002E-127| \n| P012 | xCCHO + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| P013 | xCCHO + NO3 ----> NO3 + CCHO | BR09 | 2.3000E-127| \n| P014 | xCCHO + MEO2 ----> MEO2 + 0.500\\*CCHO | BR10 | 2.0000E-137| \n| P015 | xCCHO + RO2C ----> RO2C + 0.500\\*CCHO | BR11 | 3.5000E-147| \n| P016 | xCCHO + RO2XC ----> RO2XC + 0.500\\*CCHO | BR11 | 3.5000E-147| \n| P017 | xCCHO + MECO3 ----> MECO3 + CCHO | BR25 | 1.5924E-117| \n| P018 | xCCHO + RCO3 ----> RCO3 + CCHO | BR25 | 1.5924E-117| \n| P019 | xCCHO + BZCO3 ----> BZCO3 + CCHO | BR25 | 1.5924E-117| \n| P020 | xCCHO + MACO3 ----> MACO3 + CCHO | BR25 | 1.5924E-117| \n| P021 | xRCHO + NO ----> NO + RCHO | BR07 | 9.3002E-127| \n| P022 | xRCHO + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| P023 | xRCHO + NO3 ----> NO3 + RCHO | BR09 | 2.3000E-127| \n| P024 | xRCHO + MEO2 ----> MEO2 + 0.500\\*RCHO | BR10 | 2.0000E-137| \n| P025 | xRCHO + RO2C ----> RO2C + 0.500\\*RCHO | BR11 | 3.5000E-147| \n| P026 | xRCHO + RO2XC ----> RO2XC + 0.500\\*RCHO | BR11 | 3.5000E-147| \n| P027 | xRCHO + MECO3 ----> MECO3 + RCHO | BR25 | 1.5924E-117| \n| P028 | xRCHO + RCO3 ----> RCO3 + RCHO | BR25 | 1.5924E-117| \n| P029 | xRCHO + BZCO3 ----> BZCO3 + RCHO | BR25 | 1.5924E-117| \n| P030 | xRCHO + MACO3 ----> MACO3 + RCHO | BR25 | 1.5924E-117| \n| P031 | xACETONE + NO ----> NO + ACETONE | BR07 | 9.3002E-127| \n| P032 | xACETONE + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| P033 | xACETONE + NO3 ----> NO3 + ACETONE | BR09 | 2.3000E-127| \n| P034 | xACETONE + MEO2 ----> MEO2 + 0.500\\*ACETONE | BR10 | 2.0000E-137| \n| P035 | xACETONE + RO2C ----> RO2C + 0.500\\*ACETONE | BR11 | 3.5000E-147| \n| P036 | xACETONE + RO2XC ----> RO2XC + 0.500\\*ACETONE | BR11 | 3.5000E-147| \n| P037 | xACETONE + MECO3 ----> MECO3 + ACETONE | BR25 | 1.5924E-117| \n| P038 | xACETONE + RCO3 ----> RCO3 + ACETONE | BR25 | 1.5924E-117| \n| P039 | xACETONE + BZCO3 ----> BZCO3 + ACETONE | BR25 | 1.5924E-117| \n| P040 | xACETONE + MACO3 ----> MACO3 + ACETONE | BR25 | 1.5924E-117| \n| P041 | xMEK + NO ----> NO + MEK | BR07 | 9.3002E-127| \n| P042 | xMEK + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| P043 | xMEK + NO3 ----> NO3 + MEK | BR09 | 2.3000E-127| \n| P044 | xMEK + MEO2 ----> MEO2 + 0.500\\*MEK | BR10 | 2.0000E-137| \n| P045 | xMEK + RO2C ----> RO2C + 0.500\\*MEK | BR11 | 3.5000E-147| \n| P046 | xMEK + RO2XC ----> RO2XC + 0.500\\*MEK | BR11 | 3.5000E-147| \n| P047 | xMEK + MECO3 ----> MECO3 + MEK | BR25 | 1.5924E-117| \n| P048 | xMEK + RCO3 ----> RCO3 + MEK | BR25 | 1.5924E-117| \n| P049 | xMEK + BZCO3 ----> BZCO3 + MEK | BR25 | 1.5924E-117| \n| P050 | xMEK + MACO3 ----> MACO3 + MEK | BR25 | 1.5924E-117| \n| P051 | xPROD2 + NO ----> NO + PRD2 | BR07 | 9.3002E-127| \n| P052 | xPROD2 + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| P053 | xPROD2 + NO3 ----> NO3 + PRD2 | BR09 | 2.3000E-127| \n| P054 | xPROD2 + MEO2 ----> MEO2 + 0.500\\*PRD2 | BR10 | 2.0000E-137| \n| P055 | xPROD2 + RO2C ----> RO2C + 0.500\\*PRD2 | BR11 | 3.5000E-147| \n| P056 | xPROD2 + RO2XC ----> RO2XC + 0.500\\*PRD2 | BR11 | 3.5000E-147| \n| P057 | xPROD2 + MECO3 ----> MECO3 + PRD2 | BR25 | 1.5924E-117| \n| P058 | xPROD2 + RCO3 ----> RCO3 + PRD2 | BR25 | 1.5924E-117| \n| P059 | xPROD2 + BZCO3 ----> BZCO3 + PRD2 | BR25 | 1.5924E-117| \n| P060 | xPROD2 + MACO3 ----> MACO3 + PRD2 | BR25 | 1.5924E-117| \n| P061 | xGLY + NO ----> NO + GLY | BR07 | 9.3002E-127| \n| P062 | xGLY + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| P063 | xGLY + NO3 ----> NO3 + GLY | BR09 | 2.3000E-127| \n| P064 | xGLY + MEO2 ----> MEO2 + 0.500\\*GLY | BR10 | 2.0000E-137| \n| P065 | xGLY + RO2C ----> RO2C + 0.500\\*GLY | BR11 | 3.5000E-147| \n| P066 | xGLY + RO2XC ----> RO2XC + 0.500\\*GLY | BR11 | 3.5000E-147| \n| P067 | xGLY + MECO3 ----> MECO3 + GLY | BR25 | 1.5924E-117| \n| P068 | xGLY + RCO3 ----> RCO3 + GLY | BR25 | 1.5924E-117| \n| P069 | xGLY + BZCO3 ----> BZCO3 + GLY | BR25 | 1.5924E-117| \n| P070 | xGLY + MACO3 ----> MACO3 + GLY | BR25 | 1.5924E-117| \n| P071 | xMGLY + NO ----> NO + MGLY | BR07 | 9.3002E-127| \n| P072 | xMGLY + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| P073 | xMGLY + NO3 ----> NO3 + MGLY | BR09 | 2.3000E-127| \n| P074 | xMGLY + MEO2 ----> MEO2 + 0.500\\*MGLY | BR10 | 2.0000E-137| \n| P075 | xMGLY + RO2C ----> RO2C + 0.500\\*MGLY | BR11 | 3.5000E-147| \n| P076 | xMGLY + RO2XC ----> RO2XC + 0.500\\*MGLY | BR11 | 3.5000E-147| \n| P077 | xMGLY + MECO3 ----> MECO3 + MGLY | BR25 | 1.5924E-117| \n| P078 | xMGLY + RCO3 ----> RCO3 + MGLY | BR25 | 1.5924E-117| \n| P079 | xMGLY + BZCO3 ----> BZCO3 + MGLY | BR25 | 1.5924E-117| \n| P080 | xMGLY + MACO3 ----> MACO3 + MGLY | BR25 | 1.5924E-117| \n| P081 | xBACL + NO ----> NO + BACL | BR07 | 9.3002E-127| \n| P082 | xBACL + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| P083 | xBACL + NO3 ----> NO3 + BACL | BR09 | 2.3000E-127| \n| P084 | xBACL + MEO2 ----> MEO2 + 0.500\\*BACL | BR10 | 2.0000E-137| \n| P085 | xBACL + RO2C ----> RO2C + 0.500\\*BACL | BR11 | 3.5000E-147| \n| P086 | xBACL + RO2XC ----> RO2XC + 0.500\\*BACL | BR11 | 3.5000E-147| \n| P087 | xBACL + MECO3 ----> MECO3 + BACL | BR25 | 1.5924E-117| \n| P088 | xBACL + RCO3 ----> RCO3 + BACL | BR25 | 1.5924E-117| \n| P089 | xBACL + BZCO3 ----> BZCO3 + BACL | BR25 | 1.5924E-117| \n| P090 | xBACL + MACO3 ----> MACO3 + BACL | BR25 | 1.5924E-117| \n| P091 | xBALD + NO ----> NO + BALD | BR07 | 9.3002E-127| \n| P092 | xBALD + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| P093 | xBALD + NO3 ----> NO3 + BALD | BR09 | 2.3000E-127| \n| P094 | xBALD + MEO2 ----> MEO2 + 0.500\\*BALD | BR10 | 2.0000E-137| \n| P095 | xBALD + RO2C ----> RO2C + 0.500\\*BALD | BR11 | 3.5000E-147| \n| P096 | xBALD + RO2XC ----> RO2XC + 0.500\\*BALD | BR11 | 3.5000E-147| \n| P097 | xBALD + MECO3 ----> MECO3 + BALD | BR25 | 1.5924E-117| \n| P098 | xBALD + RCO3 ----> RCO3 + BALD | BR25 | 1.5924E-117| \n| P099 | xBALD + BZCO3 ----> BZCO3 + BALD | BR25 | 1.5924E-117| \n| P100 | xBALD + MACO3 ----> MACO3 + BALD | BR25 | 1.5924E-117| \n| P101 | xAFG1 + NO ----> NO + AFG1 | BR07 | 9.3002E-127| \n| P102 | xAFG1 + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| P103 | xAFG1 + NO3 ----> NO3 + AFG1 | BR09 | 2.3000E-127| \n| P104 | xAFG1 + MEO2 ----> MEO2 + 0.500\\*AFG1 | BR10 | 2.0000E-137| \n| P105 | xAFG1 + RO2C ----> RO2C + 0.500\\*AFG1 | BR11 | 3.5000E-147| \n| P106 | xAFG1 + RO2XC ----> RO2XC + 0.500\\*AFG1 | BR11 | 3.5000E-147| \n| P107 | xAFG1 + MECO3 ----> MECO3 + AFG1 | BR25 | 1.5924E-117| \n| P108 | xAFG1 + RCO3 ----> RCO3 + AFG1 | BR25 | 1.5924E-117| \n| P109 | xAFG1 + BZCO3 ----> BZCO3 + AFG1 | BR25 | 1.5924E-117| \n| P110 | xAFG1 + MACO3 ----> MACO3 + AFG1 | BR25 | 1.5924E-117| \n| P111 | xAFG2 + NO ----> NO + AFG2 | BR07 | 9.3002E-127| \n| P112 | xAFG2 + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| P113 | xAFG2 + NO3 ----> NO3 + AFG2 | BR09 | 2.3000E-127| \n| P114 | xAFG2 + MEO2 ----> MEO2 + 0.500\\*AFG2 | BR10 | 2.0000E-137| \n| P115 | xAFG2 + RO2C ----> RO2C + 0.500\\*AFG2 | BR11 | 3.5000E-147| \n| P116 | xAFG2 + RO2XC ----> RO2XC + 0.500\\*AFG2 | BR11 | 3.5000E-147| \n| P117 | xAFG2 + MECO3 ----> MECO3 + AFG2 | BR25 | 1.5924E-117| \n| P118 | xAFG2 + RCO3 ----> RCO3 + AFG2 | BR25 | 1.5924E-117| \n| P119 | xAFG2 + BZCO3 ----> BZCO3 + AFG2 | BR25 | 1.5924E-117| \n| P120 | xAFG2 + MACO3 ----> MACO3 + AFG2 | BR25 | 1.5924E-117| \n| P121 | xAFG3 + NO ----> NO + AFG3 | BR07 | 9.3002E-127| \n| P122 | xAFG3 + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| P123 | xAFG3 + NO3 ----> NO3 + AFG3 | BR09 | 2.3000E-127| \n| P124 | xAFG3 + MEO2 ----> MEO2 + 0.500\\*AFG3 | BR10 | 2.0000E-137| \n| P125 | xAFG3 + RO2C ----> RO2C + 0.500\\*AFG3 | BR11 | 3.5000E-147| \n| P126 | xAFG3 + RO2XC ----> RO2XC + 0.500\\*AFG3 | BR11 | 3.5000E-147| \n| P127 | xAFG3 + MECO3 ----> MECO3 + AFG3 | BR25 | 1.5924E-117| \n| P128 | xAFG3 + RCO3 ----> RCO3 + AFG3 | BR25 | 1.5924E-117| \n| P129 | xAFG3 + BZCO3 ----> BZCO3 + AFG3 | BR25 | 1.5924E-117| \n| P130 | xAFG3 + MACO3 ----> MACO3 + AFG3 | BR25 | 1.5924E-117| \n| P131 | xMACR + NO ----> NO + MACR | BR07 | 9.3002E-127| \n| P132 | xMACR + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| P133 | xMACR + NO3 ----> NO3 + MACR | BR09 | 2.3000E-127| \n| P134 | xMACR + MEO2 ----> MEO2 + 0.500\\*MACR | BR10 | 2.0000E-137| \n| P135 | xMACR + RO2C ----> RO2C + 0.500\\*MACR | BR11 | 3.5000E-147| \n| P136 | xMACR + RO2XC ----> RO2XC + 0.500\\*MACR | BR11 | 3.5000E-147| \n| P137 | xMACR + MECO3 ----> MECO3 + MACR | BR25 | 1.5924E-117| \n| P138 | xMACR + RCO3 ----> RCO3 + MACR | BR25 | 1.5924E-117| \n| P139 | xMACR + BZCO3 ----> BZCO3 + MACR | BR25 | 1.5924E-117| \n| P140 | xMACR + MACO3 ----> MACO3 + MACR | BR25 | 1.5924E-117| \n| P141 | xMVK + NO ----> NO + MVK | BR07 | 9.3002E-127| \n| P142 | xMVK + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| P143 | xMVK + NO3 ----> NO3 + MVK | BR09 | 2.3000E-127| \n| P144 | xMVK + MEO2 ----> MEO2 + 0.500\\*MVK | BR10 | 2.0000E-137| \n| P145 | xMVK + RO2C ----> RO2C + 0.500\\*MVK | BR11 | 3.5000E-147| \n| P146 | xMVK + RO2XC ----> RO2XC + 0.500\\*MVK | BR11 | 3.5000E-147| \n| P147 | xMVK + MECO3 ----> MECO3 + MVK | BR25 | 1.5924E-117| \n| P148 | xMVK + RCO3 ----> RCO3 + MVK | BR25 | 1.5924E-117| \n| P149 | xMVK + BZCO3 ----> BZCO3 + MVK | BR25 | 1.5924E-117| \n| P150 | xMVK + MACO3 ----> MACO3 + MVK | BR25 | 1.5924E-117| \n| P151 | xIPRD + NO ----> NO + IPRD | BR07 | 9.3002E-127| \n| P152 | xIPRD + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| P153 | xIPRD + NO3 ----> NO3 + IPRD | BR09 | 2.3000E-127| \n| P154 | xIPRD + MEO2 ----> MEO2 + 0.500\\*IPRD | BR10 | 2.0000E-137| \n| P155 | xIPRD + RO2C ----> RO2C + 0.500\\*IPRD | BR11 | 3.5000E-147| \n| P156 | xIPRD + RO2XC ----> RO2XC + 0.500\\*IPRD | BR11 | 3.5000E-147| \n| P157 | xIPRD + MECO3 ----> MECO3 + IPRD | BR25 | 1.5924E-117| \n| P158 | xIPRD + RCO3 ----> RCO3 + IPRD | BR25 | 1.5924E-117| \n| P159 | xIPRD + BZCO3 ----> BZCO3 + IPRD | BR25 | 1.5924E-117| \n| P160 | xIPRD + MACO3 ----> MACO3 + IPRD | BR25 | 1.5924E-117| \n| P161 | xRNO3 + NO ----> NO + RNO3 | BR07 | 9.3002E-127| \n| P162 | xRNO3 + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| P163 | xRNO3 + NO3 ----> NO3 + RNO3 | BR09 | 2.3000E-127| \n| P164 | xRNO3 + MEO2 ----> MEO2 + 0.500\\*RNO3 | BR10 | 2.0000E-137| \n| P165 | xRNO3 + RO2C ----> RO2C + 0.500\\*RNO3 | BR11 | 3.5000E-147| \n| P166 | xRNO3 + RO2XC ----> RO2XC + 0.500\\*RNO3 | BR11 | 3.5000E-147| \n| P167 | xRNO3 + MECO3 ----> MECO3 + RNO3 | BR25 | 1.5924E-117| \n| P168 | xRNO3 + RCO3 ----> RCO3 + RNO3 | BR25 | 1.5924E-117| \n| P169 | xRNO3 + BZCO3 ----> BZCO3 + RNO3 | BR25 | 1.5924E-117| \n| P170 | xRNO3 + MACO3 ----> MACO3 + RNO3 | BR25 | 1.5924E-117| \n| PX161 | xMTNO3 + NO ----> NO + MTNO3 | BR07 | 9.3002E-127| \n| PX162 | xMTNO3 + HO2 ----> HO2 | 2.65E-13e 1300.00/T | 2.0743E-11 |\n| PX163 | xMTNO3 + NO3 ----> NO3 + MTNO3 | BR09 | 2.3000E-127| \n| PX164 | xMTNO3 + MEO2 ----> MEO2 + 0.500\\*MTNO3 | BR10 | 2.0000E-137| \n| PX165 | xMTNO3 + RO2C ----> RO2C + 0.500\\*MTNO3 | BR11 | 3.5000E-147| \n| PX166 | xMTNO3 + RO2XC ----> RO2XC + 0.500\\*MTNO3 | BR11 | 3.5000E-147| \n| PX167 | xMTNO3 + MECO3 ----> MECO3 + MTNO3 | BR25 | 1.5924E-117| \n| PX168 | xMTNO3 + RCO3 ----> RCO3 + MTNO3 | BR25 | 1.5924E-117| \n| PX169 | xMTNO3 + BZCO3 ----> BZCO3 + MTNO3 | BR25 | 1.5924E-117| \n| PX170 | xMTNO3 + MACO3 ----> MACO3 + MTNO3 | BR25 | 1.5924E-117| \n| PX170b | xMTNO3 + IMACO3 ----> MACO3 + MTNO3 | BR25 | 1.5924E-117| \n| P171 | yROOH + NO ----> NO | BR07 | 9.3002E-127| \n| P172 | yROOH + HO2 ----> HO2 + ROOH | BR08 | 7.7759E-127| \n| P173 | yROOH + NO3 ----> NO3 | BR09 | 2.3000E-127| \n| P174 | yROOH + MEO2 ----> MEO2 + 0.500\\*MEK | BR10 | 2.0000E-137| \n| P175 | yROOH + RO2C ----> RO2C + 0.500\\*MEK | BR11 | 3.5000E-147| \n| P176 | yROOH + RO2XC ----> RO2XC + 0.500\\*MEK | BR11 | 3.5000E-147| \n| P177 | yROOH + MECO3 ----> MECO3 | BR25 | 1.5924E-117| \n| P178 | yROOH + RCO3 ----> RCO3 | BR25 | 1.5924E-117| \n| P179 | yROOH + BZCO3 ----> BZCO3 | BR25 | 1.5924E-117| \n| P180 | yROOH + MACO3 ----> MACO3 | BR25 | 1.5924E-117| \n| P181 | yR6OOH + NO ----> NO | BR07 | 9.3002E-127| \n| P182 | yR6OOH + HO2 ----> HO2 + R6OOH | BR08 | 7.7759E-127| \n| P183 | yR6OOH + NO3 ----> NO3 | BR09 | 2.3000E-127| \n| P184 | yR6OOH + MEO2 ----> MEO2 + 0.500\\*PRD2 | BR10 | 2.0000E-137| \n| P185 | yR6OOH + RO2C ----> RO2C + 0.500\\*PRD2 | BR11 | 3.5000E-147| \n| P186 | yR6OOH + RO2XC ----> RO2XC + 0.500\\*PRD2 | BR11 | 3.5000E-147| \n| P187 | yR6OOH + MECO3 ----> MECO3 | BR25 | 1.5924E-117| \n| P188 | yR6OOH + RCO3 ----> RCO3 | BR25 | 1.5924E-117| \n| P189 | yR6OOH + BZCO3 ----> BZCO3 | BR25 | 1.5924E-117| \n| P190 | yR6OOH + MACO3 ----> MACO3 | BR25 | 1.5924E-117| \n| P191 | yRAOOH + NO ----> NO | BR07 | 9.3002E-127| \n| P192 | yRAOOH + HO2 ----> HO2 + RAOOH | BR08 | 7.7759E-127| \n| P193 | yRAOOH + NO3 ----> NO3 | BR09 | 2.3000E-127| \n| P194 | yRAOOH + MEO2 ----> MEO2 + 0.500\\*PRD2 | BR10 | 2.0000E-137| \n| P195 | yRAOOH + RO2C ----> RO2C + 0.500\\*PRD2 | BR11 | 3.5000E-147| \n| P196 | yRAOOH + RO2XC ----> RO2XC + 0.500\\*PRD2 | BR11 | 3.5000E-147| \n| P197 | yRAOOH + MECO3 ----> MECO3 | BR25 | 1.5924E-117| \n| P198 | yRAOOH + RCO3 ----> RCO3 | BR25 | 1.5924E-117| \n| P199 | yRAOOH + BZCO3 ----> BZCO3 | BR25 | 1.5924E-117| \n| P200 | yRAOOH + MACO3 ----> MACO3 | BR25 | 1.5924E-117| \n| P201 | zRNO3 + NO ----> NO + RNO3 | BR07 | 9.3002E-127| \n| P202 | zRNO3 + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| P203 | zRNO3 + NO3 ----> NO3 + PRD2 + HO2 | BR09 | 2.3000E-127| \n| P204 | zRNO3 + MEO2 ----> MEO2 + 0.500\\*PRD2 + 0.500\\*HO2 | BR10 | 2.0000E-137| \n| P205 | zRNO3 + RO2C ----> RO2C + 0.500\\*PRD2 + 0.500\\*HO2 | BR11 | 3.5000E-147| \n| P206 | zRNO3 + RO2XC ----> RO2XC + 0.500\\*PRD2 + 0.500\\*HO2 | BR11 | 3.5000E-147| \n| P207 | zRNO3 + MECO3 ----> MECO3 + PRD2 + HO2 | BR25 | 1.5924E-117| \n| P208 | zRNO3 + RCO3 ----> RCO3 + PRD2 + HO2 | BR25 | 1.5924E-117| \n| P209 | zRNO3 + BZCO3 ----> BZCO3 + PRD2 + HO2 | BR25 | 1.5924E-117| \n| P210 | zRNO3 + MACO3 ----> MACO3 + PRD2 + HO2 | BR25 | 1.5924E-117| \n| PZ201 | zMTNO3 + NO ----> NO + MTNO3 | BR07 | 9.3002E-127| \n| PZ202 | zMTNO3 + HO2 ----> HO2 | 2.65E-13e 1300.00/T | 2.0743E-11 |\n| PZ203 | zMTNO3 + NO3 ----> NO3 + PRD2 + HO2 | BR09 | 2.3000E-127| \n| PZ204 | zMTNO3 + MEO2 ----> MEO2 + 0.500\\*PRD2 + 0.500\\*HO2 | BR10 | 2.0000E-137| \n| PZ205 | zMTNO3 + RO2C ----> RO2C + 0.500\\*PRD2 + 0.500\\*HO2 | BR11 | 3.5000E-147| \n| PZ206 | zMTNO3 + RO2XC ----> RO2XC + 0.500\\*PRD2 + 0.500\\*HO2 | BR11 | 3.5000E-147| \n| PZ207 | zMTNO3 + MECO3 ----> MECO3 + PRD2 + HO2 | BR25 | 1.5924E-117| \n| PZ208 | zMTNO3 + RCO3 ----> RCO3 + PRD2 + HO2 | BR25 | 1.5924E-117| \n| PZ209 | zMTNO3 + BZCO3 ----> BZCO3 + PRD2 + HO2 | BR25 | 1.5924E-117| \n| PZ210 | zMTNO3 + MACO3 ----> MACO3 + PRD2 + HO2 | BR25 | 1.5924E-117| \n| PZ210b | zMTNO3 + IMACO3 ----> IMACO3 + PRD2 + HO2 | BR25 | 1.5924E-117| \n| P211 | xHOCCHO + NO ----> NO + HOCCHO | BR07 | 9.3002E-127| \n| P212 | xHOCCHO + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| P213 | xHOCCHO + NO3 ----> NO3 + HOCCHO | BR09 | 2.3000E-127| \n| P214 | xHOCCHO + MEO2 ----> MEO2 + 0.500\\*HOCCHO | BR10 | 2.0000E-137| \n| P215 | xHOCCHO + RO2C ----> RO2C + 0.500\\*HOCCHO | BR11 | 3.5000E-147| \n| P216 | xHOCCHO + RO2XC ----> RO2XC + 0.500\\*HOCCHO | BR11 | 3.5000E-147| \n| P217 | xHOCCHO + MECO3 ----> MECO3 + HOCCHO | BR25 | 1.5924E-117| \n| P218 | xHOCCHO + RCO3 ----> RCO3 + HOCCHO | BR25 | 1.5924E-117| \n| P219 | xHOCCHO + BZCO3 ----> BZCO3 + HOCCHO | BR25 | 1.5924E-117| \n| P220 | xHOCCHO + MACO3 ----> MACO3 + HOCCHO | BR25 | 1.5924E-117| \n| P221 | xACROLEIN + NO ----> NO + ACROLEIN | BR07 | 9.3002E-127| \n| P222 | xACROLEIN + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| P223 | xACROLEIN + NO3 ----> NO3 + ACROLEIN | BR09 | 2.3000E-127| \n| P224 | xACROLEIN + MEO2 ----> MEO2 + 0.500\\*ACROLEIN | BR10 | 2.0000E-137| \n| P225 | xACROLEIN + RO2C ----> RO2C + 0.500\\*ACROLEIN | BR11 | 3.5000E-147| \n| P226 | xACROLEIN + RO2XC ----> RO2XC + 0.500\\*ACROLEIN | BR11 | 3.5000E-147| \n| P227 | xACROLEIN + MECO3 ----> MECO3 + ACROLEIN | BR25 | 1.5924E-117| \n| P228 | xACROLEIN + RCO3 ----> RCO3 + ACROLEIN | BR25 | 1.5924E-117| \n| P229 | xACROLEIN + BZCO3 ----> BZCO3 + ACROLEIN | BR25 | 1.5924E-117| \n| P230 | xACROLEIN + MACO3 ----> MACO3 + ACROLEIN | BR25 | 1.5924E-117| \n| BE01 | OH + CH4 ----> MEO2 | 1.85E-12e -1690.00/T | 6.3895E-15 |\n| BE02 | ETHENE + OH ----> xHO2 + RO2C + 1.610\\*xHCHO + 0.195\\*xHOCCHO + yROOH | ko= 1.00E-28e 0.0/T(T/300) -4.50
ki = 8.80E-12e 0.0/T(T/300) -0.85
n= 1.00;F= 0.60 | 8.1981E-12 |\n| BE03 | ETHENE + O3 ----> 0.160\\*HO2 + 0.160\\*OH + 0.510\\*CO + 0.120\\*CO2 + HCHO + 0.370\\*HCOOH | 9.14E-15e -2580.00/T | 1.5953E-18 |\n| BE04 | ETHENE + NO3 ----> xHO2 + RO2C + xRCHO + yROOH | 3.30E-12e -2880.00/T | 2.1058E-16 |\n| BE05 | ETHENE + O3P ----> 0.800\\*HO2 + 0.290\\*xHO2 + 0.510\\*MEO2 + 0.290\\*RO2C + 0.510\\*CO + 0.278\\*xCO + 0.278\\*xHCHO + 0.100\\*CCHO + 0.012\\*xGLY + 0.290\\*yROOH | 1.07E-11e -800.00/T | 7.3127E-13 |\n| BT01 | PROPENE + OH ----> 0.984\\*xHO2 + 0.984\\*RO2C + 0.016\\*RO2XC + 0.016\\*zRNO3 + 0.984\\*xHCHO + 0.984\\*xCCHO + yROOH | 4.85E-12e 504.00/T | 2.6296E-11 |\n| BT02 | PROPENE + O3 ----> 0.165\\*HO2 + 0.350\\*OH + 0.355\\*MEO2 + 0.525\\*CO + 0.215\\*CO2 + 0.500\\*HCHO + 0.500\\*CCHO + 0.185\\*HCOOH + 0.075\\*CCOOH | 5.51E-15e -1878.00/T | 1.0130E-17 |\n| BT03 | PROPENE + NO3 ----> 0.949\\*xHO2 + 0.949\\*RO2C + 0.051\\*RO2XC + 0.051\\*zRNO3 + yROOH | 4.59E-13e -1156.00/T | 9.5049E-15 |\n| BT04 | PROPENE + O3P ----> 0.450\\*RCHO + 0.550\\*MEK | 1.02E-11e -280.00/T | 3.9879E-12 |\n| BT05 | BUTADIENE13 + OH ----> 0.951\\*xHO2 + 1.189\\*RO2C + 0.049\\*RO2XC + 0.049\\*zRNO3 + 0.708\\*xHCHO + 0.580\\*xACROLEIN + 0.471\\*xIPRD + yROOH | 1.48E-11e 448.00/T | 6.6502E-11 |\n| BT06 | BUTADIENE13 + O3 ----> 0.080\\*HO2 + 0.080\\*OH + 0.255\\*CO + 0.185\\*CO2 + 0.500\\*HCHO + 0.185\\*HCOOH + 0.500\\*ACROLEIN + 0.375\\*MVK + 0.125\\*PRD2 | 1.34E-14e -2283.00/T | 6.3331E-18 |\n| BT07 | BUTADIENE13 + NO3 ----> 0.815\\*xHO2 + 0.120\\*xNO2 + 1.055\\*RO2C + 0.065\\*RO2XC + 0.065\\*zRNO3 + 0.115\\*xHCHO + 0.460\\*xMVK + 0.120\\*xIPRD + 0.355\\*xRNO3 + yROOH | 1.0000E-13 | 1.0000E-13 |\n| BT08 | BUTADIENE13 + O3P ----> 0.250\\*HO2 + 0.117\\*xHO2 + 0.118\\*xMACO3 + 0.235\\*RO2C + 0.015\\*RO2XC + 0.015\\*zRNO3 + 0.115\\*xCO + 0.115\\*xACROLEIN + 0.001\\*xAFG1 + 0.001\\*xAFG2 + 0.750\\*PRD2 + 0.250\\*yROOH | 2.26E-11e -40.00/T | 1.9763E-11 |\n| BE07 | ISOPRENE + O3 ----> 0.066\\*HO2 + 0.266\\*OH + 0.192\\*xMACO3 + 0.192\\*RO2C + 0.008\\*RO2XC + 0.008\\*zRNO3 + 0.275\\*CO + 0.122\\*CO2 + 0.400\\*HCHO + 0.192\\*xHCHO + 0.204\\*HCOOH + 0.390\\*MACR + 0.160\\*MVK + 0.150\\*IPRD + 0.100\\*PRD2 + 0.200\\*yR6OOH | 7.86E-15e -1912.00/T | 1.2893E-17 |\n| BE09 | ISOPRENE + O3P ----> 0.250\\*MEO2 + 0.240\\*xMACO3 + 0.240\\*RO2C + 0.010\\*RO2XC + 0.010\\*zRNO3 + 0.240\\*xHCHO + 0.750\\*PRD2 + 0.250\\*yR6OOH | 3.5000E-11 | 3.5000E-11 |\n| BT09 | APIN + OH ----> 0.799\\*xHO2 + 0.004\\*xRCO3 + 1.042\\*RO2C + 0.197\\*RO2XC + 0.197\\*zRNO3 + 0.002\\*xCO + 0.022\\*xHCHO + 0.776\\*xRCHO + 0.034\\*xACETONE + 0.020\\*xMGLY + 0.023\\*xBACL + yR6OOH + TRPRXN | 1.21E-11e 436.00/T | 5.2225E-11 |\n| BT10 | APIN + O3 ----> 0.009\\*HO2 + 0.102\\*xHO2 + 0.728\\*OH + 0.001\\*xMECO3 + 0.297\\*xRCO3 + 1.511\\*RO2C + 0.337\\*RO2XC + 0.337\\*zRNO3 + 0.029\\*CO + 0.051\\*xCO + 0.017\\*CO2 + 0.344\\*xHCHO + 0.240\\*xRCHO + 0.345\\*xACETONE + 0.008\\*MEK + 0.002\\*xGLY + 0.081\\*xBACL + 0.255\\*PRD2 + 0.737\\*yR6OOH + TRPRXN | 5.00E-16e -530.00/T | 8.4519E-17 |\n| BT11 | APIN + NO3 ----> 0.056\\*xHO2 + 0.643\\*xNO2 + 0.007\\*xRCO3 + 1.050\\*RO2C + 0.293\\*RO2XC + 0.293\\*zRNO3 + 0.005\\*xCO + 0.007\\*xHCHO + 0.684\\*xRCHO + 0.069\\*xACETONE + 0.002\\*xMGLY + 0.056\\*xRNO3 + yR6OOH | 1.19E-12e 490.00/T | 6.1560E-12 |\n| BT12 | APIN + O3P ----> PRD2 + TRPRXN | 3.2000E-11 | 3.2000E-11 |\n| BE10 | ACETYLENE + OH ----> 0.300\\*HO2 + 0.700\\*OH + 0.300\\*CO + 0.300\\*HCOOH + 0.700\\*GLY | ko= 5.50E-30e 0.0/T(T/300) 0.00
ki = 8.30E-13e 0.0/T(T/300) -2.00
n= 1.00;F= 0.60 | 7.6556E-13 |\n| BE11 | ACETYLENE + O3 ----> 1.500\\*HO2 + 0.500\\*OH + 1.500\\*CO + 0.500\\*CO2 | 1.00E-14e -4100.00/T | 1.0661E-20 |\n| BE12 | BENZENE + OH ----> 0.570\\*HO2 + 0.290\\*xHO2 + 0.116\\*OH + 0.290\\*RO2C + 0.024\\*RO2XC + 0.024\\*zRNO3 + 0.290\\*xGLY + 0.570\\*CRES + 0.029\\*xAFG1 + 0.261\\*xAFG2 + 0.116\\*AFG3 + 0.314\\*yRAOOH + BENZRO2 | 2.33E-12e -193.00/T | 1.2196E-12 |\n| BT13 | TOLUENE + OH ----> 0.181\\*HO2 + 0.454\\*xHO2 + 0.312\\*OH + 0.454\\*RO2C + 0.054\\*RO2XC + 0.054\\*zRNO3 + 0.238\\*xGLY + 0.151\\*xMGLY + 0.181\\*CRES + 0.065\\*xBALD + 0.195\\*xAFG1 + 0.195\\*xAFG2 + 0.312\\*AFG3 + 0.073\\*yR6OOH + 0.435\\*yRAOOH + TOLRO2 | 1.81E-12e 338.00/T | 5.6237E-12 |\n| BT14 | MXYL + OH ----> 0.159\\*HO2 + 0.520\\*xHO2 + 0.239\\*OH + 0.520\\*RO2C + 0.082\\*RO2XC + 0.082\\*zRNO3 + 0.100\\*xGLY + 0.380\\*xMGLY + 0.159\\*CRES + 0.041\\*xBALD + 0.336\\*xAFG1 + 0.144\\*xAFG2 + 0.239\\*AFG3 + 0.047\\*yR6OOH + 0.555\\*yRAOOH + XYLRO2 | 2.3100E-11 | 2.3100E-11 |\n| BT15 | OXYL + OH ----> 0.161\\*HO2 + 0.554\\*xHO2 + 0.198\\*OH + 0.554\\*RO2C + 0.087\\*RO2XC + 0.087\\*zRNO3 + 0.084\\*xGLY + 0.238\\*xMGLY + 0.185\\*xBACL + 0.161\\*CRES + 0.047\\*xBALD + 0.253\\*xAFG1 + 0.253\\*xAFG2 + 0.198\\*AFG3 + 0.055\\*yR6OOH + 0.586\\*yRAOOH + XYLRO2 | 1.3600E-11 | 1.3600E-11 |\n| BT16 | PXYL + OH ----> 0.159\\*HO2 + 0.487\\*xHO2 + 0.278\\*OH + 0.487\\*RO2C + 0.076\\*RO2XC + 0.076\\*zRNO3 + 0.286\\*xGLY + 0.112\\*xMGLY + 0.159\\*CRES + 0.088\\*xBALD + 0.045\\*xAFG1 + 0.067\\*xAFG2 + 0.278\\*AFG3 + 0.286\\*xAFG3 + 0.102\\*yR6OOH + 0.461\\*yRAOOH + XYLRO2 | 1.4300E-11 | 1.4300E-11 |\n| BT17 | TMBENZ124 + OH ----> 0.022\\*HO2 + 0.627\\*xHO2 + 0.230\\*OH + 0.627\\*RO2C + 0.121\\*RO2XC + 0.121\\*zRNO3 + 0.074\\*xGLY + 0.405\\*xMGLY + 0.112\\*xBACL + 0.022\\*CRES + 0.036\\*xBALD + 0.088\\*xAFG1 + 0.352\\*xAFG2 + 0.230\\*AFG3 + 0.151\\*xAFG3 + 0.043\\*yR6OOH + 0.705\\*yRAOOH + XYLRO2 | 3.2500E-11 | 3.2500E-11 |\n| BT18 | ETOH + OH ----> 0.950\\*HO2 + 0.050\\*xHO2 + 0.050\\*RO2C + 0.081\\*xHCHO + 0.950\\*CCHO + 0.010\\*xHOCCHO + 0.050\\*yROOH | 5.49E-13e 530.00/T(T/300) 2.00 | 3.2078E-12 |\n| BL01 | ALK1 + OH ----> xHO2 + RO2C + xCCHO + yROOH | 1.34E-12e -499.00/T(T/300) 2.00 | 2.4824E-13 |\n| BL02 | ALK2 + OH ----> 0.965\\*xHO2 + 0.965\\*RO2C + 0.035\\*RO2XC + 0.035\\*zRNO3 + 0.261\\*xRCHO + 0.704\\*xACETONE + yROOH | 1.49E-12e -87.00/T(T/300) 2.00 | 1.0992E-12 |\n| BL03 | ALK3 + OH ----> 0.695\\*xHO2 + 0.236\\*xTBUO + 1.253\\*RO2C + 0.070\\*RO2XC + 0.070\\*zRNO3 + 0.026\\*xHCHO + 0.445\\*xCCHO + 0.122\\*xRCHO + 0.024\\*xACETONE + 0.332\\*xMEK + 0.983\\*yROOH + 0.017\\*yR6OOH | 1.51E-12e 126.00/T | 2.3042E-12 |\n| BL04 | ALK4 + OH ----> 0.830\\*xHO2 + 0.010\\*xMEO2 + 0.011\\*xMECO3 + 1.763\\*RO2C + 0.149\\*RO2XC + 0.149\\*zRNO3 + 0.002\\*xCO + 0.029\\*xHCHO + 0.438\\*xCCHO + 0.236\\*xRCHO + 0.426\\*xACETONE + 0.106\\*xMEK + 0.146\\*xPROD2 + yR6OOH | 3.75E-12e 44.00/T | 4.3463E-12 |\n| BL05 | ALK5 + OH ----> 0.647\\*xHO2 + 1.605\\*RO2C + 0.353\\*RO2XC + 0.353\\*zRNO3 + 0.040\\*xHCHO + 0.106\\*xCCHO + 0.209\\*xRCHO + 0.071\\*xACETONE + 0.086\\*xMEK + 0.407\\*xPROD2 + yR6OOH | 2.70E-12e 374.00/T | 9.4655E-12 |\n| AALK | SOAALK + OH ----> OH + 0.006\\*SVAVB2 + 0.052\\*SVAVB3 + 0.081\\*SVAVB4 | 2.70E-12e 374.00/T | 9.4655E-12 |\n| BL06 | OLE1 + OH ----> 0.871\\*xHO2 + 0.001\\*xMEO2 + 1.202\\*RO2C + 0.128\\*RO2XC + 0.128\\*zRNO3 + 0.582\\*xHCHO + 0.010\\*xCCHO + 0.007\\*xHOCCHO + 0.666\\*xRCHO + 0.007\\*xACETONE + 0.036\\*xACROLEIN + 0.001\\*xMACR + 0.012\\*xMVK + 0.009\\*xIPRD + 0.168\\*xPROD2 + 0.169\\*yROOH + 0.831\\*yR6OOH | 6.72E-12e 501.00/T | 3.6070E-11 |\n| BL07 | OLE1 + O3 ----> 0.095\\*HO2 + 0.057\\*xHO2 + 0.128\\*OH + 0.090\\*RO2C + 0.005\\*RO2XC + 0.005\\*zRNO3 + 0.303\\*CO + 0.088\\*CO2 + 0.500\\*HCHO + 0.011\\*xCCHO + 0.500\\*RCHO + 0.044\\*xRCHO + 0.003\\*xACETONE + 0.009\\*MEK + 0.185\\*HCOOH + 0.159\\*RCOOH + 0.268\\*PRD2 + 0.011\\*yROOH + 0.052\\*yR6OOH | 3.19E-15e -1701.00/T | 1.0618E-17 |\n| BL08 | OLE1 + NO3 ----> 0.772\\*xHO2 + 1.463\\*RO2C + 0.228\\*RO2XC + 0.228\\*zRNO3 + 0.013\\*xCCHO + 0.003\\*xRCHO + 0.034\\*xACETONE + 0.774\\*xRNO3 + 0.169\\*yROOH + 0.831\\*yR6OOH | 5.37E-13e -1047.00/T | 1.6028E-14 |\n| BL09 | OLE1 + O3P ----> 0.450\\*RCHO + 0.390\\*MEK + 0.160\\*PRD2 | 1.61E-11e -326.00/T | 5.3947E-12 |\n| BL10 | OLE2 + OH ----> 0.912\\*xHO2 + 0.953\\*RO2C + 0.088\\*RO2XC + 0.088\\*zRNO3 + 0.179\\*xHCHO + 0.835\\*xCCHO + 0.510\\*xRCHO + 0.144\\*xACETONE + 0.080\\*xMEK + 0.002\\*xMVK + 0.012\\*xIPRD + 0.023\\*xPROD2 + 0.319\\*yROOH + 0.681\\*yR6OOH | 1.26E-11e 488.00/T | 6.4745E-11 |\n| BL11 | OLE2 + O3 ----> 0.094\\*HO2 + 0.041\\*xHO2 + 0.443\\*OH + 0.307\\*MEO2 + 0.156\\*xMECO3 + 0.008\\*xRCO3 + 0.212\\*RO2C + 0.003\\*RO2XC + 0.003\\*zRNO3 + 0.299\\*CO + 0.161\\*CO2 + 0.131\\*HCHO + 0.114\\*xHCHO + 0.453\\*CCHO + 0.071\\*xCCHO + 0.333\\*RCHO + 0.019\\*xRCHO + 0.051\\*ACETONE + 0.033\\*MEK + 0.001\\*xMEK + 0.024\\*HCOOH + 0.065\\*CCOOH + 0.235\\*RCOOH + 0.037\\*PRD2 + 0.073\\*yROOH + 0.136\\*yR6OOH | 8.59E-15e -1255.00/T | 1.2762E-16 |\n| BL12 | OLE2 + NO3 ----> 0.400\\*xHO2 + 0.426\\*xNO2 + 0.035\\*xMEO2 + 1.193\\*RO2C + 0.140\\*RO2XC + 0.140\\*zRNO3 + 0.072\\*xHCHO + 0.579\\*xCCHO + 0.163\\*xRCHO + 0.116\\*xACETONE + 0.002\\*xMEK + 0.320\\*xRNO3 + 0.319\\*yROOH + 0.681\\*yR6OOH | 2.31E-13e 382.00/T | 8.3185E-13 |\n| BL13 | OLE2 + O3P ----> 0.079\\*RCHO + 0.751\\*MEK + 0.170\\*PRD2 | 1.43E-11e 111.00/T | 2.0750E-11 |\n| BL14 | ARO1 + OH ----> 0.123\\*HO2 + 0.566\\*xHO2 + 0.202\\*OH + 0.566\\*RO2C + 0.110\\*RO2XC + 0.110\\*zRNO3 + 0.158\\*xGLY + 0.100\\*xMGLY + 0.123\\*CRES + 0.072\\*xAFG1 + 0.185\\*xAFG2 + 0.202\\*AFG3 + 0.309\\*xPROD2 + 0.369\\*yR6OOH + TOLRO2 | 7.8400E-12 | 7.8400E-12 |\n| BL15a | ARO2MN + OH ----> 0.077\\*HO2 + 0.617\\*xHO2 + 0.178\\*OH + 0.617\\*RO2C + 0.128\\*RO2XC + 0.128\\*zRNO3 + 0.088\\*xGLY + 0.312\\*xMGLY + 0.134\\*xBACL + 0.077\\*CRES + 0.026\\*xBALD + 0.221\\*xAFG1 + 0.247\\*xAFG2 + 0.178\\*AFG3 + 0.068\\*xAFG3 + 0.057\\*xPROD2 + 0.101\\*yR6OOH + XYLRO2 | 3.0900E-11 | 3.0900E-11 |\n| BL15b | NAPHTHAL + OH ----> 0.077\\*HO2 + 0.617\\*xHO2 + 0.178\\*OH + 0.617\\*RO2C + 0.128\\*RO2XC + 0.128\\*zRNO3 + 0.088\\*xGLY + 0.312\\*xMGLY + 0.134\\*xBACL + 0.077\\*CRES + 0.026\\*xBALD + 0.221\\*xAFG1 + 0.247\\*xAFG2 + 0.178\\*AFG3 + 0.068\\*xAFG3 + 0.057\\*xPROD2 + 0.101\\*yR6OOH + PAHRO2 | 3.0900E-11 | 3.0900E-11 |\n| BL16 | TERP + OH ----> 0.734\\*xHO2 + 0.064\\*xRCO3 + 1.211\\*RO2C + 0.201\\*RO2XC + 0.201\\*zMTNO3 + 0.001\\*xCO + 0.411\\*xHCHO + 0.385\\*xRCHO + 0.037\\*xACETONE + 0.007\\*xMEK + 0.003\\*xMGLY + 0.009\\*xBACL + 0.003\\*xMVK + 0.002\\*xIPRD + 0.409\\*xPROD2 + yR6OOH + TRPRXN | 2.27E-11e 435.00/T | 9.7647E-11 |\n| BL17 | TERP + O3 ----> 0.078\\*HO2 + 0.046\\*xHO2 + 0.499\\*OH + 0.202\\*xMECO3 + 0.059\\*xRCO3 + 0.490\\*RO2C + 0.121\\*RO2XC + 0.121\\*zMTNO3 + 0.249\\*CO + 0.063\\*CO2 + 0.127\\*HCHO + 0.033\\*xHCHO + 0.208\\*xRCHO + 0.057\\*xACETONE + 0.002\\*MEK + 0.172\\*HCOOH + 0.068\\*RCOOH + 0.003\\*xMGLY + 0.039\\*xBACL + 0.002\\*xMACR + 0.001\\*xIPRD + 0.502\\*PRD2 + 0.428\\*yR6OOH + TRPRXN | 8.28E-16e -785.00/T | 5.9508E-17 |\n| BL18 | TERP + NO3 ----> TERPNRO2 | 1.33E-12e 490.00/T | 6.8802E-12 |\n| BL18a | TERPNRO2 + NO ----> 0.827\\*NO2 + 0.688\\*MTNO3 + 0.424\\*RO2C + 0.227\\*HO2 + 0.026\\*RCO3 + 0.012\\*CO + 0.023\\*HCHO + 0.002\\*HOCCHO + 0.403\\*RCHO + 0.239\\*ACETONE + 0.005\\*MACR + 0.001\\*MVK + 0.004\\*IPRD | BR07 | 9.3002E-127| \n| BL18b | TERPNRO2 + HO2 ----> MTNO3 | 2.65E-13e 1300.00/T | 2.0743E-11 |\n| BL18c | TERPNRO2 + NO3 ----> 1.531\\*NO2 + 0.422\\*MTNO3 + 0.786\\*RO2C + 0.420\\*HO2 + 0.048\\*RCO3 + 0.022\\*CO + 0.043\\*HCHO + 0.004\\*HOCCHO + 0.746\\*RCHO + 0.443\\*ACETONE + 0.009\\*MACR + 0.002\\*MVK + 0.007\\*IPRD | BR09 | 2.3000E-127| \n| BL18d | TERPNRO2 + MEO2 ----> 0.266\\*NO2 + 0.711\\*MTNO3 + 0.393\\*RO2C + 0.710\\*HO2 + 0.024\\*RCO3 + 0.011\\*CO + 0.772\\*HCHO + 0.002\\*HOCCHO + 0.373\\*RCHO + 0.222\\*ACETONE + 0.005\\*MACR + 0.001\\*MVK + 0.004\\*IPRD + 0.250\\*MEOH | BR10 | 2.0000E-137| \n| BL18e | TERPNRO2 + RO2C ----> 0.266\\*NO2 + 0.711\\*MTNO3 + 0.393\\*RO2C + 0.210\\*HO2 + 0.024\\*RCO3 + 0.011\\*CO + 0.022\\*HCHO + 0.002\\*HOCCHO + 0.373\\*RCHO + 0.222\\*ACETONE + 0.005\\*MACR + 0.001\\*MVK + 0.004\\*IPRD | BR11 | 3.5000E-147| \n| BL18f | TERPNRO2 + RO2XC ----> 0.266\\*NO2 + 0.711\\*MTNO3 + 0.393\\*RO2C + 0.210\\*HO2 + 0.024\\*RCO3 + 0.011\\*CO + 0.022\\*HCHO + 0.002\\*HOCCHO + 0.373\\*RCHO + 0.222\\*ACETONE + 0.005\\*MACR + 0.001\\*MVK + 0.004\\*IPRD | BR11 | 3.5000E-147| \n| BL18g | TERPNRO2 + MECO3 ----> 0.531\\*NO2 + 0.422\\*MTNO3 + 0.786\\*RO2C + 0.420\\*HO2 + 0.048\\*RCO3 + 0.022\\*CO + 0.043\\*HCHO + 0.004\\*HOCCHO + 0.746\\*RCHO + 0.443\\*ACETONE + 0.009\\*MACR + 0.002\\*MVK + 0.007\\*IPRD + MEO2 + CO2 | BR25 | 1.5924E-117| \n| BL18h | TERPNRO2 + RCO3 ----> 0.531\\*NO2 + 0.422\\*MTNO3 + 1.786\\*RO2C + 0.420\\*HO2 + 0.048\\*RCO3 + 0.022\\*CO + 0.043\\*HCHO + 0.004\\*HOCCHO + 0.746\\*RCHO + 0.443\\*ACETONE + 0.009\\*MACR + 0.002\\*MVK + 0.007\\*IPRD + CO2 + xHO2 + xCCHO + yROOH | BR25 | 1.5924E-117| \n| BL18i | TERPNRO2 + BZCO3 ----> 0.531\\*NO2 + 0.422\\*MTNO3 + 1.786\\*RO2C + 0.420\\*HO2 + 0.048\\*RCO3 + 0.022\\*CO + 0.043\\*HCHO + 0.004\\*HOCCHO + 0.746\\*RCHO + 0.443\\*ACETONE + 0.009\\*MACR + 0.002\\*MVK + 0.007\\*IPRD + CO2 + BZO | BR25 | 1.5924E-117| \n| BL19j | TERPNRO2 + MACO3 ----> CO2 + 1.043\\*HCHO + MECO3 + 0.786\\*RO2C + 0.420\\*HO2 + 0.531\\*NO2 + 0.048\\*RCO3 + 0.022\\*CO + 0.004\\*HOCCHO + 0.746\\*RCHO + 0.443\\*ACETONE + 0.009\\*MACR + 0.002\\*MVK + 0.007\\*IPRD + 0.422\\*MTNO3 | BR25 | 1.5924E-117| \n| BL19k | TERPNRO2 + IMACO3 ----> CO2 + 1.043\\*HCHO + MECO3 + 0.786\\*RO2C + 0.420\\*HO2 + 0.531\\*NO2 + 0.048\\*RCO3 + 0.022\\*CO + 0.004\\*HOCCHO + 0.746\\*RCHO + 0.443\\*ACETONE + 0.009\\*MACR + 0.002\\*MVK + 0.007\\*IPRD + 0.422\\*MTNO3 | BR25 | 1.5924E-117| \n| BL19 | TERP + O3P ----> 0.237\\*RCHO + 0.763\\*PRD2 + TRPRXN | 4.0200E-11 | 4.0200E-11 |\n| BT19 | SESQ + OH ----> 0.734\\*xHO2 + 0.064\\*xRCO3 + 1.211\\*RO2C + 0.201\\*RO2XC + 0.201\\*zRNO3 + 0.001\\*xCO + 0.411\\*xHCHO + 0.385\\*xRCHO + 0.037\\*xACETONE + 0.007\\*xMEK + 0.003\\*xMGLY + 0.009\\*xBACL + 0.003\\*xMVK + 0.002\\*xIPRD + 0.409\\*xPROD2 + yR6OOH + SESQRXN | BL16 | 9.7647E-117| \n| BT20 | SESQ + O3 ----> 0.078\\*HO2 + 0.046\\*xHO2 + 0.499\\*OH + 0.202\\*xMECO3 + 0.059\\*xRCO3 + 0.490\\*RO2C + 0.121\\*RO2XC + 0.121\\*zRNO3 + 0.249\\*CO + 0.063\\*CO2 + 0.127\\*HCHO + 0.033\\*xHCHO + 0.208\\*xRCHO + 0.057\\*xACETONE + 0.002\\*MEK + 0.172\\*HCOOH + 0.068\\*RCOOH + 0.003\\*xMGLY + 0.039\\*xBACL + 0.002\\*xMACR + 0.001\\*xIPRD + 0.502\\*PRD2 + 0.428\\*yR6OOH + SESQRXN | BL17 | 5.9508E-177| \n| BT21 | SESQ + NO3 ----> 0.227\\*xHO2 + 0.287\\*xNO2 + 0.026\\*xRCO3 + 1.786\\*RO2C + 0.460\\*RO2XC + 0.460\\*zRNO3 + 0.012\\*xCO + 0.023\\*xHCHO + 0.002\\*xCCHO + 0.403\\*xRCHO + 0.239\\*xACETONE + 0.005\\*xMACR + 0.001\\*xMVK + 0.004\\*xIPRD + 0.228\\*xRNO3 + yR6OOH + SESQRXN | BL18 | 6.8802E-127| \n| BT22 | SESQ + O3P ----> 0.237\\*RCHO + 0.763\\*PRD2 + SESQRXN | BL19 | 4.0200E-117| \n| CI01 | CL2 ----> 2.000\\*CL | CL2 | Not Available1 | \n| CI02 | CL + NO + M ----> CLNO | 7.60E-32(T/300) -1.80 | 7.6851E-32 |\n| CI03 | CLNO ----> CL + NO | CLNO_06 | Not Available1 | \n| CI04 | CL + NO2 ----> CLONO | ko= 1.30E-30e 0.0/T(T/300) -2.00
ki = 1.00E-10e 0.0/T(T/300) -1.00
n= 1.00;F= 0.60 | 1.6244E-11 |\n| CI05 | CL + NO2 ----> CLNO2 | ko= 1.80E-31e 0.0/T(T/300) -2.00
ki = 1.00E-10e 0.0/T(T/300) -1.00
n= 1.00;F= 0.60 | 3.5840E-12 |\n| CI06 | CLONO ----> CL + NO2 | CLONO | Not Available1 | \n| CI07 | CLNO2 ----> CL + NO2 | CLNO2 | Not Available1 | \n| CI08 | CL + HO2 ----> HCL | 3.44E-11(T/300) -0.56 | 3.4519E-11 |\n| CI09 | CL + HO2 ----> CLO + OH | 9.41E-12(T/300) 2.10 | 9.2886E-12 |\n| CI10 | CL + O3 ----> CLO | 2.80E-11e -250.00/T | 1.2106E-11 |\n| CI11 | CL + NO3 ----> CLO + NO2 | 2.4000E-11 | 2.4000E-11 |\n| CI12 | CLO + NO ----> CL + NO2 | 6.20E-12e 295.00/T | 1.6676E-11 |\n| CI13 | CLO + NO2 ----> CLONO2 | ko= 1.80E-31e 0.0/T(T/300) -3.40
ki = 1.50E-11e 0.0/T(T/300) -1.90
n= 1.00;F= 0.60 | 2.3359E-12 |\n| CI14 | CLONO2 ----> CLO + NO2 | CLONO2_1 | Not Available1 | \n| CI15 | CLONO2 ----> CL + NO3 | CLONO2_2 | Not Available1 | \n| CI16 | CLONO2 ----> CLO + NO2 | ko= 4.48E-05e-12530.0/T(T/300) -1.00
ki = 3.71E+15e-12530.0/T(T/300) 3.50
n= 1.00;F= 0.60 | 3.1797E-04 |\n| CI17 | CL + CLONO2 ----> CL2 + NO3 | 6.20E-12e 145.00/T | 1.0083E-11 |\n| CI18 | CLO + HO2 ----> HOCL | 2.20E-12e 340.00/T | 6.8814E-12 |\n| CI19 | HOCL ----> OH + CL | HOCL_06 | Not Available1 | \n| CI20 | CLO + CLO ----> 0.290\\*CL2 + 1.420\\*CL | 1.25E-11e -1960.00/T | 1.7455E-14 |\n| CI21 | OH + HCL ----> CL | 1.70E-12e -230.00/T | 7.8600E-13 |\n| CI22 | CL + H2 ----> HCL + HO2 | 3.90E-11e -2310.00/T | 1.6836E-14 |\n| CP01 | HCHO + CL ----> HCL + HO2 + CO | 8.10E-11e -30.00/T | 7.3246E-11 |\n| CP02 | CCHO + CL ----> HCL + MECO3 | 8.0000E-11 | 8.0000E-11 |\n| CP03 | MEOH + CL ----> HCL + HCHO + HO2 | 5.5000E-11 | 5.5000E-11 |\n| CP04 | RCHO + CL ----> HCL + 0.900\\*RCO3 + 0.100\\*RO2C + 0.100\\*xCCHO + 0.100\\*xCO + 0.100\\*xHO2 + 0.100\\*yROOH | 1.2300E-10 | 1.2300E-10 |\n| CP05 | ACETONE + CL ----> HCL + RO2C + xHCHO + xMECO3 + yROOH | 7.70E-11e -1000.00/T | 2.6907E-12 |\n| CP06 | MEK + CL ----> HCL + 0.975\\*RO2C + 0.039\\*RO2XC + 0.039\\*zRNO3 + 0.840\\*xHO2 + 0.085\\*xMECO3 + 0.036\\*xRCO3 + 0.065\\*xHCHO + 0.070\\*xCCHO + 0.840\\*xRCHO + yROOH | 3.6000E-11 | 3.6000E-11 |\n| CP07 | RNO3 + CL ----> HCL + 0.038\\*NO2 + 0.055\\*HO2 + 1.282\\*RO2C + 0.202\\*RO2XC + 0.202\\*zRNO3 + 0.009\\*RCHO + 0.018\\*MEK + 0.012\\*PRD2 + 0.055\\*RNO3 + 0.159\\*xNO2 + 0.547\\*xHO2 + 0.045\\*xHCHO + 0.300\\*xCCHO + 0.020\\*xRCHO + 0.003\\*xACETONE + 0.041\\*xMEK + 0.046\\*xPROD2 + 0.547\\*xRNO3 + 0.908\\*yR6OOH | 1.9200E-10 | 1.9200E-10 |\n| CP08 | PRD2 + CL ----> HCL + 0.314\\*HO2 + 0.680\\*RO2C + 0.116\\*RO2XC + 0.116\\*zRNO3 + 0.198\\*RCHO + 0.116\\*PRD2 + 0.541\\*xHO2 + 0.007\\*xMECO3 + 0.022\\*xRCO3 + 0.237\\*xHCHO + 0.109\\*xCCHO + 0.591\\*xRCHO + 0.051\\*xMEK + 0.040\\*xPROD2 + 0.686\\*yR6OOH | 2.0000E-10 | 2.0000E-10 |\n| CP09 | GLY + CL ----> HCL + 0.630\\*HO2 + 1.260\\*CO + 0.370\\*RCO3 | 8.10E-11e -30.00/T | 7.3246E-11 |\n| CP10 | MGLY + CL ----> HCL + CO + MECO3 | 8.0000E-11 | 8.0000E-11 |\n| CP11 | CRES + CL ----> HCL + xHO2 + xBALD + yR6OOH | 6.2000E-11 | 6.2000E-11 |\n| CP12 | BALD + CL ----> HCL + BZCO3 | 8.0000E-11 | 8.0000E-11 |\n| CP13 | ROOH + CL ----> HCL + 0.414\\*OH + 0.588\\*RO2C + 0.414\\*RCHO + 0.104\\*xOH + 0.482\\*xHO2 + 0.106\\*xHCHO + 0.104\\*xCCHO + 0.197\\*xRCHO + 0.285\\*xMEK + 0.586\\*yROOH | 1.6600E-10 | 1.6600E-10 |\n| CP14 | R6OOH + CL ----> HCL + 0.145\\*OH + 1.078\\*RO2C + 0.117\\*RO2XC + 0.117\\*zRNO3 + 0.145\\*PRD2 + 0.502\\*xOH + 0.237\\*xHO2 + 0.186\\*xCCHO + 0.676\\*xRCHO + 0.280\\*xPROD2 + 0.855\\*yR6OOH | 3.0000E-10 | 3.0000E-10 |\n| CP15 | RAOOH + CL ----> 0.404\\*HCL + 0.139\\*OH + 0.148\\*HO2 + 0.589\\*RO2C + 0.124\\*RO2XC + 0.124\\*zRNO3 + 0.074\\*PRD2 + 0.147\\*MGLY + 0.139\\*IPRD + 0.565\\*xHO2 + 0.024\\*xOH + 0.448\\*xRCHO + 0.026\\*xGLY + 0.030\\*xMEK + 0.252\\*xMGLY + 0.073\\*xAFG1 + 0.073\\*xAFG2 + 0.713\\*yR6OOH | 4.2900E-10 | 4.2900E-10 |\n| TP01 | ACROLEIN + CL ----> 0.484\\*xHO2 + 0.274\\*xCL + 0.216\\*MACO3 + 1.032\\*RO2C + 0.026\\*RO2XC + 0.026\\*zRNO3 + 0.216\\*HCL + 0.484\\*xCO + 0.274\\*xHCHO + 0.274\\*xGLY + 0.484\\*xCLCCHO + 0.784\\*yROOH | 2.9400E-10 | 2.9400E-10 |\n| CP17 | MVK + CL ----> 1.283\\*RO2C + 0.053\\*RO2XC + 0.053\\*zRNO3 + 0.322\\*xHO2 + 0.625\\*xMECO3 + 0.947\\*xCLCCHO + yROOH | 2.3200E-10 | 2.3200E-10 |\n| CP18 | IPRD + CL ----> 0.401\\*HCL + 0.084\\*HO2 + 0.154\\*MACO3 + 0.730\\*RO2C + 0.051\\*RO2XC + 0.051\\*zRNO3 + 0.042\\*AFG1 + 0.042\\*AFG2 + 0.712\\*xHO2 + 0.498\\*xCO + 0.195\\*xHCHO + 0.017\\*xMGLY + 0.009\\*xAFG1 + 0.009\\*xAFG2 + 0.115\\*xIPRD + 0.140\\*xCLCCHO + 0.420\\*xCLACET + 0.762\\*yR6OOH | 4.1200E-10 | 4.1200E-10 |\n| CP19 | CLCCHO ----> HO2 + CO + RO2C + xCL + xHCHO + yROOH | CLCCHO | Not Available1 | \n| CP20 | CLCCHO + OH ----> RCO3 | 3.1000E-12 | 3.1000E-12 |\n| CP21 | CLCCHO + CL ----> HCL + RCO3 | 1.2900E-11 | 1.2900E-11 |\n| CP22 | CLACET ----> MECO3 + RO2C + xCL + xHCHO + yROOH | 5.0000E-01\\*CLACET | Not Available1 | \n| CP29 | xCL + NO ----> NO + CL | BR07 | 9.3002E-127| \n| CP30 | xCL + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| CP31 | xCL + NO3 ----> NO3 + CL | BR09 | 2.3000E-127| \n| CP32 | xCL + MEO2 ----> MEO2 + 0.500\\*CL | BR10 | 2.0000E-137| \n| CP33 | xCL + RO2C ----> RO2C + 0.500\\*CL | BR11 | 3.5000E-147| \n| CP34 | xCL + RO2XC ----> RO2XC + 0.500\\*CL | BR11 | 3.5000E-147| \n| CP35 | xCL + MECO3 ----> MECO3 + CL | BR25 | 1.5924E-117| \n| CP36 | xCL + RCO3 ----> RCO3 + CL | BR25 | 1.5924E-117| \n| CP37 | xCL + BZCO3 ----> BZCO3 + CL | BR25 | 1.5924E-117| \n| CP38 | xCL + MACO3 ----> MACO3 + CL | BR25 | 1.5924E-117| \n| CP39 | xCLCCHO + NO ----> NO + CLCCHO | BR07 | 9.3002E-127| \n| CP40 | xCLCCHO + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| CP41 | xCLCCHO + NO3 ----> NO3 + CLCCHO | BR09 | 2.3000E-127| \n| CP42 | xCLCCHO + MEO2 ----> MEO2 + 0.500\\*CLCCHO | BR10 | 2.0000E-137| \n| CP43 | xCLCCHO + RO2C ----> RO2C + 0.500\\*CLCCHO | BR11 | 3.5000E-147| \n| CP44 | xCLCCHO + RO2XC ----> RO2XC + 0.500\\*CLCCHO | BR11 | 3.5000E-147| \n| CP45 | xCLCCHO + MECO3 ----> MECO3 + CLCCHO | BR25 | 1.5924E-117| \n| CP46 | xCLCCHO + RCO3 ----> RCO3 + CLCCHO | BR25 | 1.5924E-117| \n| CP47 | xCLCCHO + BZCO3 ----> BZCO3 + CLCCHO | BR25 | 1.5924E-117| \n| CP48 | xCLCCHO + MACO3 ----> MACO3 + CLCCHO | BR25 | 1.5924E-117| \n| CP49 | xCLACET + NO ----> NO + CLACET | BR07 | 9.3002E-127| \n| CP50 | xCLACET + HO2 ----> HO2 | BR08 | 7.7759E-127| \n| CP51 | xCLACET + NO3 ----> NO3 + CLACET | BR09 | 2.3000E-127| \n| CP52 | xCLACET + MEO2 ----> MEO2 + 0.500\\*CLACET | BR10 | 2.0000E-137| \n| CP53 | xCLACET + RO2C ----> RO2C + 0.500\\*CLACET | BR11 | 3.5000E-147| \n| CP54 | xCLACET + RO2XC ----> RO2XC + 0.500\\*CLACET | BR11 | 3.5000E-147| \n| CP55 | xCLACET + MECO3 ----> MECO3 + CLACET | BR25 | 1.5924E-117| \n| CP56 | xCLACET + RCO3 ----> RCO3 + CLACET | BR25 | 1.5924E-117| \n| CP57 | xCLACET + BZCO3 ----> BZCO3 + CLACET | BR25 | 1.5924E-117| \n| CP58 | xCLACET + MACO3 ----> MACO3 + CLACET | BR25 | 1.5924E-117| \n| CE01 | CL + CH4 ----> HCL + MEO2 | 7.30E-12e -1280.00/T | 9.9732E-14 |\n| CE02 | ETHENE + CL ----> xHO2 + 2.000\\*RO2C + xHCHO + CLCHO | ko= 1.60E-29e 0.0/T(T/300) -3.30
ki = 3.10E-10e 0.0/T(T/300) -1.00
n= 1.00;F= 0.60 | 1.0603E-10 |\n| TE01 | PROPENE + CL ----> 0.124\\*HCL + 0.971\\*xHO2 + 0.971\\*RO2C + 0.029\\*RO2XC + 0.029\\*zRNO3 + 0.124\\*xACROLEIN + 0.306\\*xCLCCHO + 0.540\\*xCLACET + yROOH | 2.6700E-10 | 2.6700E-10 |\n| TE02 | BUTADIENE13 + CL ----> 0.390\\*xHO2 + 0.541\\*xCL + 1.884\\*RO2C + 0.069\\*RO2XC + 0.069\\*zRNO3 + 0.863\\*xHCHO + 0.457\\*xACROLEIN + 0.473\\*xIPRD + yROOH | 4.9000E-10 | 4.9000E-10 |\n| CE03 | ISOPRENE + CL ----> 0.150\\*HCL + 0.738\\*xHO2 + 0.177\\*xCL + 1.168\\*RO2C + 0.085\\*RO2XC + 0.085\\*zRNO3 + 0.275\\*xHCHO + 0.177\\*xMVK + 0.671\\*xIPRD + 0.067\\*xCLCCHO + yR6OOH | 4.8000E-10 | 4.8000E-10 |\n| TE03 | APIN + CL ----> 0.548\\*HCL + 0.252\\*xHO2 + 0.068\\*xCL + 0.034\\*xMECO3 + 0.050\\*xRCO3 + 0.016\\*xMACO3 + 2.258\\*RO2C + 0.582\\*RO2XC + 0.582\\*zRNO3 + 0.035\\*xCO + 0.158\\*xHCHO + 0.185\\*xRCHO + 0.274\\*xACETONE + 0.007\\*xGLY + 0.003\\*xBACL + 0.003\\*xMVK + 0.158\\*xIPRD + 0.006\\*xAFG1 + 0.006\\*xAFG2 + 0.001\\*xAFG3 + 0.109\\*xCLCCHO + yR6OOH | 5.4600E-10 | 5.4600E-10 |\n| CE04 | ACETYLENE + CL ----> HO2 + CO | ko= 5.20E-30e 0.0/T(T/300) -2.40
ki = 2.20E-10e 0.0/T(T/300) 0.00
n= 1.00;F= 0.60 | 5.0269E-11 |\n| TE04 | TOLUENE + CL ----> 0.894\\*xHO2 + 0.894\\*RO2C + 0.106\\*RO2XC + 0.106\\*zRNO3 + 0.894\\*xBALD | 6.2000E-11 | 6.2000E-11 |\n| TE05 | MXYL + CL ----> 0.864\\*xHO2 + 0.864\\*RO2C + 0.136\\*RO2XC + 0.136\\*zRNO3 + 0.864\\*xBALD | 1.3500E-10 | 1.3500E-10 |\n| TE06 | OXYL + CL ----> 0.864\\*xHO2 + 0.864\\*RO2C + 0.136\\*RO2XC + 0.136\\*zRNO3 + 0.864\\*xBALD | 1.4000E-10 | 1.4000E-10 |\n| TE07 | PXYL + CL ----> 0.864\\*xHO2 + 0.864\\*RO2C + 0.136\\*RO2XC + 0.136\\*zRNO3 + 0.864\\*xBALD | 1.4400E-10 | 1.4400E-10 |\n| TE08 | TMBENZ124 + CL ----> 0.838\\*xHO2 + 0.838\\*RO2C + 0.162\\*RO2XC + 0.162\\*zRNO3 + 0.838\\*xBALD | 2.4200E-10 | 2.4200E-10 |\n| TE09 | ETOH + CL ----> HCL + 0.688\\*HO2 + 0.312\\*xHO2 + 0.312\\*RO2C + 0.503\\*xHCHO + 0.688\\*CCHO + 0.061\\*xHOCCHO + 0.312\\*yROOH | 8.60E-11e 45.00/T | 1.0001E-10 |\n| BC01 | ALK1 + CL ----> HCL + xHO2 + RO2C + xCCHO + yROOH | 8.30E-11e -100.00/T | 5.9349E-11 |\n| BC02 | ALK2 + CL ----> HCL + 0.970\\*xHO2 + 0.970\\*RO2C + 0.030\\*RO2XC + 0.030\\*zRNO3 + 0.482\\*xRCHO + 0.488\\*xACETONE + yROOH | 1.20E-10e 40.00/T | 1.3723E-10 |\n| BC03 | ALK3 + CL ----> HCL + 0.835\\*xHO2 + 0.094\\*xTBUO + 1.361\\*RO2C + 0.070\\*RO2XC + 0.070\\*zRNO3 + 0.078\\*xHCHO + 0.340\\*xCCHO + 0.343\\*xRCHO + 0.075\\*xACETONE + 0.253\\*xMEK + 0.983\\*yROOH + 0.017\\*yR6OOH | 1.8600E-10 | 1.8600E-10 |\n| BC04 | ALK4 + CL ----> HCL + 0.827\\*xHO2 + 0.003\\*xMEO2 + 0.004\\*xMECO3 + 1.737\\*RO2C + 0.165\\*RO2XC + 0.165\\*zRNO3 + 0.003\\*xCO + 0.034\\*xHCHO + 0.287\\*xCCHO + 0.412\\*xRCHO + 0.247\\*xACETONE + 0.076\\*xMEK + 0.130\\*xPROD2 + yR6OOH | 2.6300E-10 | 2.6300E-10 |\n| BC05 | ALK5 + CL ----> HCL + 0.647\\*xHO2 + 1.541\\*RO2C + 0.352\\*RO2XC + 0.352\\*zRNO3 + 0.022\\*xHCHO + 0.080\\*xCCHO + 0.258\\*xRCHO + 0.044\\*xACETONE + 0.041\\*xMEK + 0.378\\*xPROD2 + yR6OOH | 4.2100E-10 | 4.2100E-10 |\n| BC06 | OLE1 + CL ----> 0.384\\*HCL + 0.873\\*xHO2 + 1.608\\*RO2C + 0.127\\*RO2XC + 0.127\\*zRNO3 + 0.036\\*xHCHO + 0.206\\*xCCHO + 0.072\\*xRCHO + 0.215\\*xACROLEIN + 0.019\\*xMVK + 0.038\\*xIPRD + 0.192\\*xCLCCHO + 0.337\\*xCLACET + 0.169\\*yROOH + 0.831\\*yR6OOH | 3.9200E-10 | 3.9200E-10 |\n| BC07 | OLE2 + CL ----> 0.279\\*HCL + 0.450\\*xHO2 + 0.442\\*xCL + 0.001\\*xMEO2 + 1.492\\*RO2C + 0.106\\*RO2XC + 0.106\\*zRNO3 + 0.190\\*xHCHO + 0.383\\*xCCHO + 0.317\\*xRCHO + 0.086\\*xACETONE + 0.042\\*xMEK + 0.025\\*xMACR + 0.058\\*xMVK + 0.161\\*xIPRD + 0.013\\*xCLCCHO + 0.191\\*xCLACET + 0.319\\*yROOH + 0.681\\*yR6OOH | 3.7700E-10 | 3.7700E-10 |\n| BC08 | ARO1 + CL ----> 0.840\\*xHO2 + 0.840\\*RO2C + 0.160\\*RO2XC + 0.160\\*zRNO3 + 0.840\\*xPROD2 | 2.1600E-10 | 2.1600E-10 |\n| BC09a | ARO2MN + CL ----> 0.828\\*xHO2 + 0.828\\*RO2C + 0.172\\*RO2XC + 0.172\\*zRNO3 + 0.469\\*xBALD + 0.359\\*xPROD2 | 2.6600E-10 | 2.6600E-10 |\n| BC09b | NAPHTHAL + CL ----> 0.828\\*xHO2 + 0.828\\*RO2C + 0.172\\*RO2XC + 0.172\\*zRNO3 + 0.469\\*xBALD + 0.359\\*xPROD2 | 2.6600E-10 | 2.6600E-10 |\n| BC10 | TERP + CL ----> 0.548\\*HCL + 0.252\\*xHO2 + 0.068\\*xCL + 0.034\\*xMECO3 + 0.050\\*xRCO3 + 0.016\\*xMACO3 + 2.258\\*RO2C + 0.582\\*RO2XC + 0.582\\*zRNO3 + 0.035\\*xCO + 0.158\\*xHCHO + 0.185\\*xRCHO + 0.274\\*xACETONE + 0.007\\*xGLY + 0.003\\*xBACL + 0.003\\*xMVK + 0.158\\*xIPRD + 0.006\\*xAFG1 + 0.006\\*xAFG2 + 0.001\\*xAFG3 + 0.109\\*xCLCCHO + yR6OOH | 5.4600E-10 | 5.4600E-10 |\n| BC11 | SESQ + CL ----> 0.252\\*xHO2 + 0.068\\*xCL + 0.034\\*xMECO3 + 0.050\\*xRCO3 + 0.016\\*xMACO3 + 2.258\\*RO2C + 0.582\\*RO2XC + 0.582\\*zRNO3 + 0.548\\*HCL + 0.035\\*xCO + 0.158\\*xHCHO + 0.185\\*xRCHO + 0.274\\*xACETONE + 0.007\\*xGLY + 0.003\\*xBACL + 0.003\\*xMVK + 0.158\\*xIPRD + 0.006\\*xAFG1 + 0.006\\*xAFG2 + 0.001\\*xAFG3 + 0.109\\*xCLCCHO + yR6OOH | BC10 | 5.4600E-107| \n| AE51 | BENZRO2 + NO ----> NO + 0.034\\*SVAVB2 + 0.392\\*SVAVB4 | BR07 | 9.3002E-127| \n| AE52 | BENZRO2 + HO2 ----> HO2 + 0.146\\*SVAVB1 | BR08 | 7.7759E-127| \n| AE53 | XYLRO2 + NO ----> NO + 0.015\\*SVAVB2 + 0.023\\*SVAVB3 + 0.060\\*SVAVB4 | BR07 | 9.3002E-127| \n| AE54 | XYLRO2 + HO2 ----> HO2 + 0.193\\*SVAVB1 | BR08 | 7.7759E-127| \n| AE55 | TOLRO2 + NO ----> NO + 0.016\\*SVAVB2 + 0.051\\*SVAVB3 + 0.047\\*SVAVB4 | BR07 | 9.3002E-127| \n| AE56 | TOLRO2 + HO2 ----> HO2 + 0.140\\*SVAVB1 | BR08 | 7.7759E-127| \n| AE57 | PAHRO2 + NO ----> NO + 0.028\\*SVAVB2 + 0.225\\*SVAVB3 + 0.191\\*SVAVB4 | BR07 | 9.3002E-127| \n| AE58 | PAHRO2 + HO2 ----> HO2 + 0.473\\*SVAVB1 | BR08 | 7.7759E-127| \n| TR01 | HCHO_PRIMARY ----> | HCHOR_06 | Not Available1 | \n| TR02 | HCHO_PRIMARY ----> | HCHOM_06 | Not Available1 | \n| TR03 | HCHO_PRIMARY + OH ----> OH | 5.40E-12e 135.00/T | 8.4926E-12 |\n| TR05 | HCHO_PRIMARY + NO3 ----> NO3 | 2.00E-12e -2431.00/T | 5.7539E-16 |\n| TR06 | HCHO_PRIMARY + CL ----> CL | 8.10E-11e -30.00/T | 7.3246E-11 |\n| TR07 | CCHO_PRIMARY + OH ----> OH | 4.40E-12e 365.00/T | 1.4967E-11 |\n| TR08 | CCHO_PRIMARY ----> | CCHO_R | Not Available1 | \n| TR09 | CCHO_PRIMARY + NO3 ----> NO3 | 1.40E-12e -1860.00/T | 2.7340E-15 |\n| TR10 | CCHO_PRIMARY + CL ----> CL | 8.0000E-11 | 8.0000E-11 |\n| TR11 | ACRO_PRIMARY + OH ----> OH | 1.9900E-11 | 1.9900E-11 |\n| TR12 | ACRO_PRIMARY + O3 ----> O3 | 1.40E-15e -2528.00/T | 2.9091E-19 |\n| TR13 | ACRO_PRIMARY + NO3 ----> NO3 | 1.1800E-15 | 1.1800E-15 |\n| TR14 | ACRO_PRIMARY + O3P ----> O3P | 2.3700E-12 | 2.3700E-12 |\n| TR15 | ACRO_PRIMARY ----> | ACRO_09 | Not Available1 | \n| TR16 | ACRO_PRIMARY + CL ----> CL | 2.9400E-10 | 2.9400E-10 |\n| IS1 | ISOPRENE + OH ----> ISOPO2 + ISOPRXN | 2.54E-11e 410.00/T | 1.0047E-10 |\n| IS2 | ISOPO2 + NO ----> 0.400\\*MVK + 0.260\\*MACR + 0.883\\*NO2 + 0.070\\*ISOPND + 0.047\\*ISOPNB + 0.660\\*HCHO + 0.100\\*HC5 + 0.043\\*ARO2MN + 0.080\\*DIBOO + 0.803\\*HO2 | 2.60E-12e 380.00/T | 9.3002E-12 |\n| IS3 | ISOPO2 + HO2 ----> 0.880\\*ISOPOOH + 0.120\\*OH + 0.047\\*MACR + 0.073\\*MVK + 0.120\\*HO2 + 0.120\\*HCHO | 2.06E-13e 1300.00/T | 1.6125E-11 |\n| IS4 | ISOPO2 + MEO2 ----> 0.950\\*HO2 + 1.120\\*HCHO + 0.230\\*MVK + 0.150\\*MACR + 0.050\\*DIBOO + 0.060\\*HC5 + 0.020\\*ARO2MN + 0.500\\*PRD2 + 0.250\\*MEOH | 1.8000E-12 | 1.8000E-12 |\n| IS5 | ISOPO2 + RO2C ----> 0.450\\*HO2 + 0.370\\*HCHO + 0.230\\*MVK + 0.150\\*MACR + 0.050\\*DIBOO + 0.060\\*HC5 + 0.020\\*ARO2MN + 0.500\\*PRD2 | 6.8000E-13 | 6.8000E-13 |\n| IS6 | ISOPO2 + ISOPO2 ----> 0.910\\*HO2 + 0.750\\*HCHO + 0.450\\*MVK + 0.290\\*MACR + 0.090\\*DIBOO + 0.110\\*HC5 + 0.050\\*ARO2MN + PRD2 | 2.3000E-12 | 2.3000E-12 |\n| IS7 | ISOPO2 + MECO3 ----> MEO2 + CO2 + 0.910\\*HO2 + 0.750\\*HCHO + 0.450\\*MVK + 0.290\\*MACR + 0.090\\*DIBOO + 0.110\\*HC5 + 0.050\\*ARO2MN | 4.40E-13e 1070.00/T | 1.5924E-11 |\n| IS107 | ISOPO2 ----> HO2 + HPALD | 4.07E+08e -7694.00/T | 2.5251E-03 |\n| IS137 | HPALD ----> OH + HO2 + 0.500\\*HACET + 0.500\\*MGLY + 0.250\\*HOCCHO + 0.250\\*GLY + HCHO | HPALD | Not Available1 | \n| IS138 | HPALD + OH ----> OH + PRD2 | 4.6000E-11 | 4.6000E-11 |\n| IS9 | ISOPRENE + NO3 ----> NISOPO2 | 3.03E-12e -448.00/T | 6.7433E-13 |\n| IS10 | NISOPO2 + NO3 ----> 0.700\\*NIT1 + 0.035\\*MVK + 0.035\\*MACR + 1.300\\*NO2 + 0.800\\*HO2 + 0.070\\*HCHO + 0.230\\*HC5 | 2.3000E-12 | 2.3000E-12 |\n| IS11 | NISOPO2 + NO ----> 0.700\\*NIT1 + 0.035\\*MVK + 0.035\\*MACR + 1.300\\*NO2 + 0.800\\*HO2 + 0.070\\*HCHO + 0.230\\*HC5 | 2.60E-12e 380.00/T | 9.3002E-12 |\n| IS12 | NISOPO2 + HO2 ----> NISOPOOH | 2.06E-13e 1300.00/T | 1.6125E-11 |\n| IS13 | NISOPO2 + MEO2 ----> 0.600\\*NIT1 + 0.018\\*MVK + 0.018\\*MACR + 0.150\\*NO2 + 0.900\\*HO2 + 0.785\\*HCHO + 0.115\\*HC5 + 0.250\\*ISOPND + 0.250\\*MEOH | 1.3000E-12 | 1.3000E-12 |\n| IS14 | NISOPO2 + RO2C ----> 0.600\\*NIT1 + 0.018\\*MVK + 0.018\\*MACR + 0.150\\*NO2 + 0.400\\*HO2 + 0.035\\*HCHO + 0.115\\*HC5 + 0.250\\*ISOPND | 6.0400E-13 | 6.0400E-13 |\n| IS140 | NISOPO2 + NISOPO2 ----> 1.200\\*NIT1 + 0.035\\*MVK + 0.035\\*MACR + 0.300\\*NO2 + 0.800\\*HO2 + 0.070\\*HCHO + 0.230\\*HC5 + 0.500\\*ISOPND | 1.2000E-12 | 1.2000E-12 |\n| IS15 | NISOPO2 + MECO3 ----> MEO2 + CO2 + 0.700\\*NIT1 + 0.035\\*MVK + 0.035\\*MACR + 0.300\\*NO2 + 0.800\\*HO2 + 0.070\\*HCHO + 0.230\\*HC5 | 4.40E-13e 1070.00/T | 1.5924E-11 |\n| IS17 | HC5 + OH ----> HC5OO | 1.42E-11e 610.00/T | 1.0986E-10 |\n| IS18 | HC5OO + NO ----> NO2 + 0.234\\*HOCCHO + 0.234\\*MGLY + 0.216\\*GLY + 0.216\\*HACET + 0.290\\*DHMOB + 0.170\\*RCOOH + 0.090\\*PRD2 + 0.090\\*CO + HO2 | 2.60E-12e 380.00/T | 9.3002E-12 |\n| IS19 | HC5OO + HO2 ----> R6OOH | 2.06E-13e 1300.00/T | 1.6125E-11 |\n| IS20 | HC5OO + MEO2 ----> 0.117\\*HOCCHO + 0.117\\*MGLY + 0.108\\*GLY + 0.108\\*HACET + 0.145\\*DHMOB + 0.085\\*RCOOH + 0.545\\*PRD2 + 0.045\\*CO + HO2 + 0.750\\*HCHO + 0.250\\*MEOH | 2.0000E-13 | 2.0000E-13 |\n| IS21 | HC5OO + RO2C ----> 0.117\\*HOCCHO + 0.117\\*MGLY + 0.108\\*GLY + 0.108\\*HACET + 0.145\\*DHMOB + 0.085\\*RCOOH + 0.545\\*PRD2 + 0.045\\*CO + 0.500\\*HO2 | 3.5000E-14 | 3.5000E-14 |\n| IS22 | HC5OO + MECO3 ----> MEO2 + CO2 + 0.234\\*HOCCHO + 0.234\\*MGLY + 0.216\\*GLY + 0.216\\*HACET + 0.290\\*DHMOB + 0.170\\*RCOOH + 0.090\\*PRD2 + 0.090\\*CO + HO2 | 4.40E-13e 1070.00/T | 1.5924E-11 |\n| IS24 | HC5 + O3 ----> 0.500\\*MGLY + 0.350\\*GLY + 0.790\\*OH + 0.020\\*HCHO + 0.350\\*HOCCHO + 0.590\\*CO + 0.150\\*HACET + 0.130\\*RCOOH + 0.080\\*CO2 + 0.600\\*HO2 + 0.350\\*MECO3 | 3.94E-15e -1520.00/T | 2.4067E-17 |\n| IS25 | ISOPND + OH ----> ISOPNOOD | 1.20E-11e 652.00/T | 1.0688E-10 |\n| IS26 | ISOPNOOD + NO ----> 0.340\\*PRD2 + 0.150\\*PROPNN + 0.440\\*HACET + 0.070\\*MVKN + 0.130\\*ETHLN + 0.310\\*HCOOH + 0.310\\*NO3 + 0.720\\*HCHO + 0.150\\*HOCCHO + 1.340\\*NO2 + 0.350\\*HO2 | 2.40E-12e 360.00/T | 8.0278E-12 |\n| IS141 | ISOPNOOD + HO2 ----> RNO3I | 2.06E-13e 1300.00/T | 1.6125E-11 |\n| IS142 | ISOPNOOD + MEO2 ----> 0.170\\*PRD2 + 0.075\\*PROPNN + 0.220\\*HACET + 0.035\\*MVKN + 0.065\\*ETHLN + 0.155\\*HCOOH + 0.155\\*NO3 + 1.110\\*HCHO + 0.075\\*HOCCHO + 0.170\\*NO2 + 0.675\\*HO2 + 0.500\\*RNO3I + 0.250\\*MEOH | 2.0000E-13 | 2.0000E-13 |\n| IS143 | ISOPNOOD + RO2C ----> 0.170\\*PRD2 + 0.075\\*PROPNN + 0.220\\*HACET + 0.035\\*MVKN + 0.065\\*ETHLN + 0.155\\*HCOOH + 0.155\\*NO3 + 0.360\\*HCHO + 0.075\\*HOCCHO + 0.170\\*NO2 + 0.175\\*HO2 + 0.500\\*RNO3I | 3.5000E-14 | 3.5000E-14 |\n| IS144 | ISOPNOOD + MECO3 ----> MEO2 + CO2 + 0.340\\*PRD2 + 0.150\\*PROPNN + 0.440\\*HACET + 0.070\\*MVKN + 0.130\\*ETHLN + 0.310\\*HCOOH + 0.310\\*NO3 + 0.720\\*HCHO + 0.150\\*HOCCHO + 0.340\\*NO2 + 0.350\\*HO2 | 4.40E-13e 1070.00/T | 1.5924E-11 |\n| IS27 | ISOPND + O3 ----> 0.360\\*ETHLN + 0.290\\*PROPNN + 0.700\\*MGLY + 0.120\\*RCOOH + 0.390\\*HO2 + 0.038\\*HCHO + 0.029\\*CO + 0.730\\*OH + 0.017\\*CO2 + 0.360\\*NO2 + 0.160\\*HACET + 0.340\\*HOCCHO | 2.9000E-17 | 2.9000E-17 |\n| IS28 | ISOPNB + OH ----> ISOPNOOB | 2.40E-12e 745.00/T | 2.9201E-11 |\n| IS29 | ISOPNOOB + NO ----> 0.600\\*HOCCHO + 0.600\\*HACET + 0.400\\*HCHO + 0.400\\*HO2 + 0.260\\*MACRN + 0.140\\*MVKN + 1.600\\*NO2 | 2.40E-12e 360.00/T | 8.0278E-12 |\n| IS145 | ISOPNOOB + HO2 ----> RNO3I | 2.06E-13e 1300.00/T | 1.6125E-11 |\n| IS146 | ISOPNOOB + MEO2 ----> 0.300\\*HOCCHO + 0.300\\*HACET + 0.950\\*HCHO + 0.700\\*HO2 + 0.130\\*MACRN + 0.070\\*MVKN + 0.300\\*NO2 + 0.500\\*RNO3I + 0.250\\*MEOH | 2.0000E-13 | 2.0000E-13 |\n| IS147 | ISOPNOOB + RO2C ----> 0.300\\*HOCCHO + 0.300\\*HACET + 0.200\\*HCHO + 0.200\\*HO2 + 0.130\\*MACRN + 0.070\\*MVKN + 0.300\\*NO2 + 0.500\\*RNO3I | 3.5000E-14 | 3.5000E-14 |\n| IS148 | ISOPNOOB + MECO3 ----> MEO2 + CO2 + 0.600\\*HOCCHO + 0.600\\*HACET + 0.400\\*HCHO + 0.400\\*HO2 + 0.260\\*MACRN + 0.140\\*MVKN + 0.600\\*NO2 | 4.40E-13e 1070.00/T | 1.5924E-11 |\n| IS30 | ISOPNB + O3 ----> 0.120\\*MVKN + 0.320\\*MACRN + 0.340\\*OH + 0.080\\*HO2 + 0.260\\*CO + 0.070\\*CO2 + 0.160\\*HCOOH + 0.560\\*HCHO + 0.280\\*RNO3I + 0.040\\*HACET + 0.280\\*NO2 + 0.240\\*BACL | 3.7000E-19 | 3.7000E-19 |\n| IS31 | NIT1 + NO3 ----> 0.600\\*NIT1NO3OOA + 0.600\\*HNO3 + 0.400\\*NIT1NO3OOB | 3.15E-13e -448.00/T | 7.0104E-14 |\n| IS32 | NIT1NO3OOA + NO3 ----> NO2 + PROPNN + CO + CO2 + HO2 | 4.0000E-12 | 4.0000E-12 |\n| IS34 | NIT1NO3OOA + NO ----> NO2 + PROPNN + CO + CO2 + HO2 | BR31 | 2.0957E-117| \n| IS109 | NIT1NO3OOA + NO2 ----> MAPAN | BR28 | 1.2180E-117| \n| IS36 | NIT1NO3OOA + HO2 ----> 0.750\\*RCOOOH + 0.250\\*RCOOH + 0.250\\*O3 | BR22 | 1.3916E-117| \n| IS38 | NIT1NO3OOA + RO2C ----> PROPNN + CO + CO2 + HO2 | BR25 | 1.5924E-117| \n| IS40 | NIT1NO3OOA + MEO2 ----> PROPNN + CO + CO2 + 2.000\\*HO2 + HCHO | BR24 | 1.0699E-117| \n| IS41 | NIT1NO3OOA + MECO3 ----> MEO2 + 2.000\\*CO2 + PROPNN + CO + HO2 | BR27 | 1.5514E-117| \n| IS33 | NIT1NO3OOB + NO3 ----> ISOPNN + GLY + NO2 | 2.3000E-12 | 2.3000E-12 |\n| IS35 | NIT1NO3OOB + NO ----> 0.940\\*ISOPNN + 0.940\\*GLY + 0.940\\*NO2 + 0.060\\*RNO3I | 2.60E-12e 380.00/T | 9.3002E-12 |\n| IS37 | NIT1NO3OOB + HO2 ----> RNO3I | 2.06E-13e 1300.00/T | 1.6125E-11 |\n| IS39 | NIT1NO3OOB + RO2C ----> 0.700\\*ISOPNN + 0.700\\*GLY + 0.300\\*RNO3I | 3.5000E-14 | 3.5000E-14 |\n| IS43 | NIT1NO3OOB + MEO2 ----> 0.700\\*ISOPNN + 0.700\\*GLY + 0.300\\*RNO3I + 0.750\\*HCHO + 0.250\\*MEOH + 0.500\\*HO2 | 2.0000E-13 | 2.0000E-13 |\n| IS44 | NIT1NO3OOB + MECO3 ----> MEO2 + CO2 + ISOPNN + GLY | 4.40E-13e 1070.00/T | 1.5924E-11 |\n| IS46 | NIT1 + O3 ----> 0.300\\*PROPNN + 0.450\\*CO + 0.850\\*OH + 0.450\\*HO2 + 0.150\\*CO2 + 0.700\\*GLY + 0.700\\*NO2 + 0.700\\*MGLY | 4.15E-15e -1520.00/T | 2.5349E-17 |\n| IS47 | NIT1 + OH ----> 0.345\\*NIT1NO3OOA + 0.655\\*NIT1OHOO | 7.48E-12e 410.00/T | 2.9588E-11 |\n| IS48 | NIT1OHOO + NO ----> 0.919\\*PROPNN + 0.919\\*GLY + 0.015\\*CO + 0.081\\*RNO3I + 0.934\\*NO2 + 0.934\\*HO2 | 2.60E-12e 380.00/T | 9.3002E-12 |\n| IS50 | NIT1OHOO + HO2 ----> R6OOH | 2.06E-13e 1300.00/T | 1.6125E-11 |\n| IS51 | NIT1OHOO + RO2C ----> 0.689\\*PROPNN + 0.689\\*GLY + 0.011\\*CO + 0.311\\*RNO3I + 0.700\\*HO2 | 3.5000E-14 | 3.5000E-14 |\n| IS52 | NIT1OHOO + MEO2 ----> 0.689\\*PROPNN + 0.689\\*GLY + 0.011\\*CO + 0.311\\*RNO3I + 1.200\\*HO2 + 0.750\\*HCHO + 0.250\\*MEOH | 2.0000E-13 | 2.0000E-13 |\n| IS53 | NIT1OHOO + MECO3 ----> MEO2 + CO2 + 0.984\\*PROPNN + 0.984\\*GLY + 0.016\\*CO + 0.016\\*RNO3I + HO2 | 4.40E-13e 1070.00/T | 1.5924E-11 |\n| IS55 | DIBOO + NO ----> NO2 + HO2 + 0.520\\*HOCCHO + 0.520\\*MGLY + 0.480\\*GLY + 0.480\\*HACET | 2.60E-12e 380.00/T | 9.3002E-12 |\n| IS102 | DIBOO + HO2 ----> R6OOH | 2.06E-13e 1300.00/T | 1.6125E-11 |\n| IS103 | DIBOO + MEO2 ----> HO2 + 0.260\\*HOCCHO + 0.260\\*MGLY + 0.240\\*GLY + 0.240\\*HACET + 0.500\\*PRD2 + 0.750\\*HCHO + 0.250\\*MEOH | 2.0000E-13 | 2.0000E-13 |\n| IS104 | DIBOO + RO2C ----> 0.500\\*HO2 + 0.260\\*HOCCHO + 0.260\\*MGLY + 0.240\\*GLY + 0.240\\*HACET + 0.500\\*PRD2 | 3.5000E-14 | 3.5000E-14 |\n| IS105 | DIBOO + MECO3 ----> HO2 + 0.520\\*HOCCHO + 0.520\\*MGLY + 0.480\\*GLY + 0.480\\*HACET + MEO2 + CO2 | 4.40E-13e 1070.00/T | 1.5924E-11 |\n| IS56 | MVK + OH ----> MVKOO | 2.60E-12e 610.00/T | 2.0115E-11 |\n| IS57 | MVKOO + NO ----> 0.625\\*HOCCHO + 0.625\\*MECO3 + 0.265\\*MGLY + 0.265\\*HCHO + 0.265\\*HO2 + 0.110\\*MVKN + 0.890\\*NO2 | 2.60E-12e 380.00/T | 9.3002E-12 |\n| IS58 | MVKOO + HO2 ----> ROOH | 1.82E-13e 1300.00/T | 1.4246E-11 |\n| IS59 | MVKOO + MEO2 ----> 0.350\\*HOCCHO + 0.350\\*MECO3 + 0.150\\*MGLY + 0.900\\*HCHO + 0.650\\*HO2 + 0.500\\*MEK + 0.250\\*MEOH | 2.0000E-13 | 2.0000E-13 |\n| IS60 | MVKOO + RO2C ----> 0.350\\*HOCCHO + 0.350\\*MECO3 + 0.150\\*MGLY + 0.150\\*HCHO + 0.150\\*HO2 + 0.500\\*MEK | 3.5000E-14 | 3.5000E-14 |\n| IS61 | MVKOO + MECO3 ----> MEO2 + CO2 + 0.700\\*HOCCHO + 0.700\\*MECO3 + 0.300\\*MGLY + 0.300\\*HCHO + 0.300\\*HO2 | 4.40E-13e 1070.00/T | 1.5924E-11 |\n| IS63 | MACROO + NO ----> 0.850\\*NO2 + 0.850\\*HO2 + 0.720\\*HACET + 0.720\\*CO + 0.130\\*HCHO + 0.130\\*MGLY + 0.150\\*MACRN | 2.60E-12e 380.00/T | 9.3002E-12 |\n| IS64 | MACROO + HO2 ----> ROOH | 1.82E-13e 1300.00/T | 1.4246E-11 |\n| IS65 | MACROO + MEO2 ----> HO2 + 0.424\\*HACET + 0.424\\*CO + 0.826\\*HCHO + 0.076\\*MGLY + 0.500\\*PRD2 + 0.250\\*MEOH | 2.0000E-13 | 2.0000E-13 |\n| IS66 | MACROO + RO2C ----> 0.500\\*HO2 + 0.424\\*HACET + 0.424\\*CO + 0.076\\*HCHO + 0.076\\*MGLY + 0.500\\*PRD2 | 3.5000E-14 | 3.5000E-14 |\n| IS67 | MACROO + MECO3 ----> MEO2 + CO2 + HO2 + 0.150\\*MGLY + 0.850\\*HACET + 0.850\\*CO + 0.150\\*HCHO | 4.40E-13e 1070.00/T | 1.5924E-11 |\n| IS69 | MACO3 + NO ----> NO2 + CO + CO2 + HCHO + MEO2 | 6.70E-12e 340.00/T | 2.0957E-11 |\n| IS70 | MACO3 + HO2 ----> 0.307\\*RCOOOH + 0.102\\*RCOOH + 0.150\\*O3 + 0.440\\*OH + 0.440\\*HCHO + 0.440\\*MECO3 + 0.440\\*CO2 | BR22 | 1.3916E-117| \n| IS71 | MACO3 + NO3 ----> NO2 + CO + CO2 + HCHO + MEO2 | 4.0000E-12 | 4.0000E-12 |\n| IS72 | MACO3 + MEO2 ----> 2.000\\*HCHO + HO2 + CO + CO2 + MEO2 | BR24 | 1.0699E-117| \n| IS73 | MACO3 + RO2C ----> CO + CO2 + HCHO + MEO2 | BR25 | 1.5924E-117| \n| IS74 | MACO3 + RO2XC ----> CO + CO2 + HCHO + MEO2 | BR25 | 1.5924E-117| \n| IS75 | MACO3 + MECO3 ----> 2.000\\*CO2 + 2.000\\*MEO2 + CO + HCHO | BR27 | 1.5514E-117| \n| IS76 | MACO3 + RCO3 ----> CO + 2.000\\*CO2 + HCHO + MEO2 + RO2C + xHO2 + yROOH + xCCHO | BR27 | 1.5514E-117| \n| IS77 | MACO3 + BZCO3 ----> CO + 2.000\\*CO2 + HCHO + MEO2 + BZO + RO2C | BR27 | 1.5514E-117| \n| IS78 | MACO3 + MACO3 ----> 2.000\\*CO + 2.000\\*CO2 + 2.000\\*HCHO + 2.000\\*MEO2 | BR27 | 1.5514E-117| \n| IS108 | MAPAN + OH ----> HACET + CO + NO2 | 2.9000E-11 | 2.9000E-11 |\n| IS79 | HOCCHO + OH ----> 0.750\\*HO2 + 0.250\\*OH + 0.130\\*GLY + 0.520\\*CO + 0.350\\*CO2 + 0.160\\*HCOOH + 0.710\\*HCHO | 8.0000E-12 | 8.0000E-12 |\n| IS80 | HACET + OH ----> 0.750\\*MGLY + 0.825\\*HO2 + 0.125\\*HCOOH + 0.100\\*OH + 0.125\\*MEO2 + 0.200\\*CO2 + 0.050\\*CO + 0.125\\*CCOOH | 2.15E-12e 305.00/T | 5.9801E-12 |\n| IS81 | HACET ----> HO2 + MECO3 + HCHO | 1.7500E-01\\*MEK_06 | Not Available1 | \n| IS82 | ETHLN + OH ----> HCHO + CO2 + NO2 | 2.94E-12e 365.00/T | 1.0000E-11 |\n| IS111 | ETHLN ----> NO2 + HCHO + HO2 + CO | NOA | Not Available1 | \n| IS83 | PROPNN + OH ----> MGLY + NO2 | 4.0000E-13 | 4.0000E-13 |\n| IS93 | ISOPNN + OH ----> PROPNN + NO2 | 4.0000E-13 | 4.0000E-13 |\n| IS97 | PROPNN ----> MECO3 + HCHO + NO2 | NOA | Not Available1 | \n| IS98 | ISOPNN ----> MECO3 + HCHO + 2.000\\*NO2 | IC3ONO2 | Not Available1 | \n| IS84 | MVKN + OH ----> 0.650\\*HCOOH + 0.650\\*MGLY + 0.350\\*HCHO + 0.350\\*PYRUACD + NO3 | 3.50E-12e 140.00/T | 5.5975E-12 |\n| IS106 | MVKN ----> MECO3 + NO2 + HOCCHO | NOA | Not Available1 | \n| IS85 | MACRN + OH ----> 0.080\\*CCOOH + 0.080\\*HCHO + 0.150\\*NO3 + 0.070\\*HCOOH + 0.070\\*MGLY + 0.850\\*HACET + 0.850\\*NO2 + 0.930\\*CO2 | 1.28E-11e 405.00/T | 4.9790E-11 |\n| IS110 | MACRN ----> HACET + NO2 + CO + HO2 | C2CHO | Not Available1 | \n| IS86 | DHMOB + OH ----> 1.500\\*CO + 0.500\\*HO2 + 0.500\\*HACET + 0.500\\*PRD2 | 1.0000E-11 | 1.0000E-11 |\n| IS87 | PYRUACD ----> CCHO + CO2 | MGLY_06 | Not Available1 | \n| IS88 | ISOPOOH + OH ----> IEPOX + OH | 1.90E-11e 390.00/T | 7.0281E-11 |\n| IS89 | ISOPOOH + OH ----> 0.387\\*ISOPO2 + 0.613\\*HC5 + 0.613\\*OH | 4.75E-12e 200.00/T | 9.2901E-12 |\n| IS90 | IEPOX + OH ----> IEPOXOO | 5.78E-11e -400.00/T | 1.5110E-11 |\n| IS91 | IEPOXOO + HO2 ----> 0.725\\*HACET + 0.275\\*HOCCHO + 0.275\\*GLY + 0.275\\*MGLY + 1.125\\*OH + 0.825\\*HO2 + 0.200\\*CO2 + 0.375\\*HCHO + 0.074\\*HCOOH + 0.251\\*CO | 2.06E-13e 1300.00/T | 1.6125E-11 |\n| IS96 | IEPOXOO + NO ----> 0.725\\*HACET + 0.275\\*HOCCHO + 0.275\\*GLY + 0.275\\*MGLY + 0.125\\*OH + 0.825\\*HO2 + 0.200\\*CO2 + 0.375\\*HCHO + 0.074\\*HCOOH + 0.251\\*CO + NO2 | 2.60E-12e 380.00/T | 9.3002E-12 |\n| IS112 | IEPOXOO + MEO2 ----> 0.363\\*HACET + 0.138\\*HOCCHO + 0.138\\*GLY + 0.138\\*MGLY + 0.063\\*OH + 0.913\\*HO2 + 0.100\\*CO2 + 0.938\\*HCHO + 0.037\\*HCOOH + 0.126\\*CO + 0.500\\*PRD2 + 0.250\\*MEOH | 2.0000E-13 | 2.0000E-13 |\n| IS113 | IEPOXOO + RO2C ----> 0.363\\*HACET + 0.138\\*HOCCHO + 0.138\\*GLY + 0.138\\*MGLY + 0.063\\*OH + 0.413\\*HO2 + 0.100\\*CO2 + 0.188\\*HCHO + 0.037\\*HCOOH + 0.126\\*CO + 0.500\\*PRD2 | 3.5000E-14 | 3.5000E-14 |\n| IS114 | IEPOXOO + MECO3 ----> 0.725\\*HACET + 0.275\\*HOCCHO + 0.275\\*GLY + 0.275\\*MGLY + 0.125\\*OH + 0.825\\*HO2 + 1.200\\*CO2 + 0.375\\*HCHO + 0.074\\*HCOOH + 0.251\\*CO + MEO2 | 4.40E-13e 1070.00/T | 1.5924E-11 |\n| IS92 | ISOPOOH ----> OH + 0.910\\*HO2 + 0.750\\*HCHO + 0.450\\*MVK + 0.290\\*MACR + 0.090\\*DIBOO + 0.110\\*HC5 + 0.050\\*ARO2MN | COOH | Not Available1 | \n| IS94 | RNO3I + OH ----> NO2 + HO2 + PRD2 | 8.0000E-12 | 8.0000E-12 |\n| IS99 | NISOPOOH + OH ----> RNO3I + OH | 5.0000E-11 | 5.0000E-11 |\n| IS139 | NISOPOOH + OH ----> 0.300\\*NISOPO2 + 0.700\\*OH + 0.700\\*NIT1 | 3.80E-12e 200.00/T | 7.4321E-12 |\n| IS00 | MACR + OH ----> 0.530\\*MACROO + 0.470\\*IMACO3 | 8.00E-12e 380.00/T | 2.8616E-11 |\n| BP56 | MACR + NO3 ----> 0.500\\*IMACO3 + 0.500\\*RO2C + 0.500\\*HNO3 + 0.500\\*xHO2 + 0.500\\*xCO + 0.500\\*yROOH | 1.50E-12e -1815.00/T | 3.4065E-15 |\n| BP58 | MACR ----> 0.330\\*OH + 0.670\\*HO2 + 0.340\\*MECO3 + 0.330\\*IMACO3 + 0.330\\*RO2C + 0.670\\*CO + 0.340\\*HCHO + 0.330\\*xMECO3 + 0.330\\*xHCHO + 0.330\\*yROOH | MACR_06 | Not Available1 | \n| CP16 | MACR + CL ----> 0.250\\*HCL + 0.165\\*IMACO3 + 0.802\\*RO2C + 0.033\\*RO2XC + 0.033\\*zRNO3 + 0.802\\*xHO2 + 0.541\\*xCO + 0.082\\*xIPRD + 0.180\\*xCLCCHO + 0.541\\*xCLACET + 0.835\\*yROOH | 3.8500E-10 | 3.8500E-10 |\n| IA69 | IMACO3 + NO ----> NO2 + CO + CO2 + HCHO + MEO2 | 6.70E-12e 340.00/T | 2.0957E-11 |\n| IA70 | IMACO3 + HO2 ----> 0.750\\*IMPAA + 0.250\\*RCOOH + 0.250\\*O3 | BR22 | 1.3916E-117| \n| IA71 | IMACO3 + NO3 ----> NO2 + CO + CO2 + HCHO + MEO2 | 4.0000E-12 | 4.0000E-12 |\n| IA72 | IMACO3 + MEO2 ----> 2.000\\*HCHO + HO2 + CO + CO2 + MEO2 | BR24 | 1.0699E-117| \n| IA73 | IMACO3 + RO2C ----> CO + CO2 + HCHO + MEO2 | BR25 | 1.5924E-117| \n| IA74 | IMACO3 + RO2XC ----> CO + CO2 + HCHO + MEO2 | BR25 | 1.5924E-117| \n| IA75 | IMACO3 + MECO3 ----> 2.000\\*CO2 + 2.000\\*MEO2 + CO + HCHO | BR27 | 1.5514E-117| \n| IA76 | IMACO3 + RCO3 ----> CO + 2.000\\*CO2 + HCHO + MEO2 + RO2C + xHO2 + yROOH + xCCHO | BR27 | 1.5514E-117| \n| IA77 | IMACO3 + BZCO3 ----> CO + 2.000\\*CO2 + HCHO + MEO2 + BZO + RO2C | BR27 | 1.5514E-117| \n| IA78 | IMACO3 + MACO3 ----> 2.000\\*CO + 2.000\\*CO2 + 2.000\\*HCHO + 2.000\\*MEO2 | BR27 | 1.5514E-117| \n| IA79 | IMACO3 + IMACO3 ----> 2.000\\*CO + 2.000\\*CO2 + 2.000\\*HCHO + 2.000\\*MEO2 | BR27 | 1.5514E-117| \n| IA80 | MACROO ----> HACET + CO + OH | 2.90E+07e -5297.00/T | 5.5799E-01 |\n| IA51 | IMACO3 + NO2 ----> IMAPAN | BR28 | 1.2180E-117| \n| IA52 | IMAPAN ----> IMACO3 + NO2 | 1.60E+16e-13486.00/T | 3.6308E-04 |\n| IA53 | IMAPAN ----> 0.600\\*IMACO3 + 0.600\\*NO2 + 0.400\\*CO2 + 0.400\\*HCHO + 0.400\\*MECO3 + 0.400\\*NO3 | PAN | Not Available1 | \n| IC01 | xCO + IMACO3 ----> IMACO3 + CO | BR25 | 1.5924E-117| \n| IC02 | xTBUO + IMACO3 ----> IMACO3 + TBUO | BR25 | 1.5924E-117| \n| IC03 | xMACO3 + IMACO3 ----> IMACO3 + MACO3 | BR25 | 1.5924E-117| \n| IC04 | xRCO3 + IMACO3 ----> IMACO3 + RCO3 | BR25 | 1.5924E-117| \n| IC05 | xMECO3 + IMACO3 ----> IMACO3 + MECO3 | BR25 | 1.5924E-117| \n| IC06 | xMEO2 + IMACO3 ----> IMACO3 + MEO2 | BR25 | 1.5924E-117| \n| IC07 | xNO2 + IMACO3 ----> IMACO3 + NO2 | BR25 | 1.5924E-117| \n| IC08 | xOH + IMACO3 ----> IMACO3 + OH | BR25 | 1.5924E-117| \n| IC09 | xHO2 + IMACO3 ----> IMACO3 + HO2 | BR25 | 1.5924E-117| \n| IC10 | xACROLEIN + IMACO3 ----> IMACO3 + ACROLEIN | BR25 | 1.5924E-117| \n| IC11 | xHOCCHO + IMACO3 ----> IMACO3 + HOCCHO | BR25 | 1.5924E-117| \n| IC12 | zRNO3 + IMACO3 ----> IMACO3 + PRD2 + HO2 | BR25 | 1.5924E-117| \n| IC13 | yRAOOH + IMACO3 ----> IMACO3 | BR25 | 1.5924E-117| \n| IC14 | yR6OOH + IMACO3 ----> IMACO3 | BR25 | 1.5924E-117| \n| IC15 | yROOH + IMACO3 ----> IMACO3 | BR25 | 1.5924E-117| \n| IC16 | xRNO3 + IMACO3 ----> IMACO3 + RNO3 | BR25 | 1.5924E-117| \n| IC17 | xIPRD + IMACO3 ----> IMACO3 + IPRD | BR25 | 1.5924E-117| \n| IC18 | xMVK + IMACO3 ----> IMACO3 + MVK | BR25 | 1.5924E-117| \n| IC19 | xMACR + IMACO3 ----> IMACO3 + MACR | BR25 | 1.5924E-117| \n| IC20 | xAFG3 + IMACO3 ----> IMACO3 + AFG3 | BR25 | 1.5924E-117| \n| IC21 | xAFG2 + IMACO3 ----> IMACO3 + AFG2 | BR25 | 1.5924E-117| \n| IC22 | xAFG1 + IMACO3 ----> IMACO3 + AFG1 | BR25 | 1.5924E-117| \n| IC23 | xBALD + IMACO3 ----> IMACO3 + BALD | BR25 | 1.5924E-117| \n| IC24 | xBACL + IMACO3 ----> IMACO3 + BACL | BR25 | 1.5924E-117| \n| IC25 | xMGLY + IMACO3 ----> IMACO3 + MGLY | BR25 | 1.5924E-117| \n| IC26 | xGLY + IMACO3 ----> IMACO3 + GLY | BR25 | 1.5924E-117| \n| IC27 | xPROD2 + IMACO3 ----> IMACO3 + PRD2 | BR25 | 1.5924E-117| \n| IC28 | xMEK + IMACO3 ----> IMACO3 + MEK | BR25 | 1.5924E-117| \n| IC29 | xACETONE + IMACO3 ----> IMACO3 + ACETONE | BR25 | 1.5924E-117| \n| IC30 | xRCHO + IMACO3 ----> IMACO3 + RCHO | BR25 | 1.5924E-117| \n| IC31 | xCCHO + IMACO3 ----> IMACO3 + CCHO | BR25 | 1.5924E-117| \n| IC32 | xHCHO + IMACO3 ----> IMACO3 + HCHO | BR25 | 1.5924E-117| \n| IC33 | xCL + IMACO3 ----> IMACO3 + CL | BR25 | 1.5924E-117| \n| IC34 | xCLACET + IMACO3 ----> IMACO3 + CLACET | BR25 | 1.5924E-117| \n| IC35 | xCLCCHO + IMACO3 ----> IMACO3 + CLCCHO | BR25 | 1.5924E-117| \n| IA108 | IMAPAN + OH ----> 0.030\\*HACET + 0.030\\*CO + 0.810\\*NO3 + 0.210\\*IMAE + 0.570\\*IHMML + 0.190\\*PAN + 0.190\\*HCHO + 0.190\\*HO2 | 3.0000E-11 | 3.0000E-11 |\n| IA90 | IMAE + OH ----> | 1.0000E-12 | 1.0000E-12 |\n| IA91 | IHMML + OH ----> | 4.4000E-12 | 4.4000E-12 |\n| IA92 | IMPAA + OH ----> 0.830\\*IMACO3 + 0.170\\*IHMML | 1.6600E-11 | 1.6600E-11 |\n| CP07mtp | MTNO3 + CL ----> HCL + 0.038\\*NO2 + 0.055\\*HO2 + 1.282\\*RO2C + 0.202\\*RO2XC + 0.202\\*zMTNO3 + 0.009\\*RCHO + 0.018\\*MEK + 0.012\\*PRD2 + 0.055\\*MTNO3 + 0.159\\*xNO2 + 0.547\\*xHO2 + 0.045\\*xHCHO + 0.300\\*xCCHO + 0.020\\*xRCHO + 0.003\\*xACETONE + 0.041\\*xMEK + 0.046\\*xPROD2 + 0.547\\*xMTNO3 + 0.908\\*yR6OOH | 1.9200E-10 | 1.9200E-10 |\n| BP70mtp | MTNO3 + OH ----> 0.189\\*HO2 + 0.305\\*xHO2 + 0.019\\*NO2 + 0.313\\*xNO2 + 0.976\\*RO2C + 0.175\\*RO2XC + 0.175\\*zMTNO3 + 0.011\\*xHCHO + 0.429\\*xCCHO + 0.001\\*RCHO + 0.036\\*xRCHO + 0.004\\*xACETONE + 0.010\\*MEK + 0.170\\*xMEK + 0.008\\*PRD2 + 0.031\\*xPROD2 + 0.189\\*MTNO3 + 0.305\\*xMTNO3 + 0.157\\*yROOH + 0.636\\*yR6OOH | 7.2000E-12 | 7.2000E-12 |\n| BP71mtp | MTNO3 ----> 0.344\\*HO2 + 0.554\\*xHO2 + NO2 + 0.721\\*RO2C + 0.102\\*RO2XC + 0.102\\*zMTNO3 + 0.074\\*HCHO + 0.061\\*xHCHO + 0.214\\*CCHO + 0.230\\*xCCHO + 0.074\\*RCHO + 0.063\\*xRCHO + 0.008\\*xACETONE + 0.124\\*MEK + 0.083\\*xMEK + 0.190\\*PRD2 + 0.261\\*xPROD2 + 0.066\\*yROOH + 0.591\\*yR6OOH | IC3ONO2 | Not Available1 | \n| HET_N02 | NO2 ----> 0.500\\*HONO + 0.500\\*HNO3 | HETERO_NO2 | Not Available2 | \n| HET_N2O5IJ | N2O5 ----> HNO3 + H2NO3PIJ | HETERO_N2O5IJ | Not Available2 | \n| HET_N2O5K | N2O5 ----> HNO3 + H2NO3PK | HETERO_N2O5K | Not Available2 | \n| HET_H2NO3PIJA | H2NO3PIJ ----> HNO3 | HETERO_H2NO3PAIJ | Not Available2 | \n| HET_H2NO3PKA | H2NO3PK ----> HNO3 | HETERO_H2NO3PAK | Not Available2 | \n| HET_H2NO3PIB | H2NO3PIJ + ACLI ----> CLNO2 | HETERO_H2NO3PBIJ | Not Available2 | \n| HET_H2NO3PJB | H2NO3PIJ + ACLJ ----> CLNO2 | HETERO_H2NO3PBIJ | Not Available2 | \n| HET_H2NO3PKB | H2NO3PK + ACLK ----> CLNO2 | HETERO_H2NO3PBK | Not Available2 | \n| HAL_Ozone | O3 ----> | SEAWATER*min( 6.701E-11e 1.074E+01P+ 3.415E-08e-6.713E-01P,
2.000E-06) | 2.0000E-064| \n| HET_IEPOX | IEPOX ----> IEPOXP | HETERO_IEPOX | Not Available2 | \n| HET_IMAE | IMAE ----> IMAEP | HETERO_IMAE | Not Available2 | \n| HET_IHMML | IHMML ----> IHMMLP | HETERO_IMAE | Not Available2 | \n| HET_TETROL | IEPOXP ----> AIETETJ | HETERO_TETROL | Not Available2 | \n| HET_IEPOXOS | IEPOXP + ASO4J ----> AIEOSJ | HETERO_IEPOXOS | Not Available2 | \n| HET_DIM1 | IEPOXP + AIETETJ ----> ADIMJ | HETERO_TETROLDIM | Not Available2 | \n| HET_DIM2 | IEPOXP + AIEOSJ ----> ADIMJ | HETERO_IEPOXOSDI | Not Available2 | \n| HET_2MG1 | IMAEP ----> AIMGAJ | HETERO_2MG | Not Available2 | \n| HET_IMAEOS1 | IMAEP + ASO4J ----> AIMOSJ | HETERO_IMAEOS | Not Available2 | \n| HET_2MG2 | IHMMLP ----> AIMGAJ | HETERO_2MG | Not Available2 | \n| HET_IMAEOS2 | IHMMLP + ASO4J ----> AIMOSJ | HETERO_IMAEOS | Not Available2 | \n| HET_NO3 | NO3 ----> HNO3 | HETERO_NO3 | Not Available2 | \n| OLIG_ISOPRENE1 | AISO1J ----> 0.500\\*AOLGBJ | 9.4882E-06 | 9.4882E-06 |\n| OLIG_ISOPRENE2 | AISO2J ----> 0.500\\*AOLGBJ | 9.4882E-06 | 9.4882E-06 |\n| OLIG_SESQT1 | ASQTJ ----> 1.500\\*AOLGBJ | 9.4882E-06 | 9.4882E-06 |\n| OLIG_AROMATIC1 | AAVB2J ----> 0.907\\*AOLGAJ | 9.4882E-06 | 9.4882E-06 |\n| OLIG_AROMATIC2 | AAVB3J ----> 0.925\\*AOLGAJ | 9.4882E-06 | 9.4882E-06 |\n| OLIG_AROMATIC3 | AAVB4J ----> 0.943\\*AOLGAJ | 9.4882E-06 | 9.4882E-06 |\n| RPOAGEPI | APOCI + OH ----> 1.250\\*APNCOMI + APOCI + OH | 2.5000E-12 | 2.5000E-12 |\n| RPOAGELI | APNCOMI + OH ----> OH | HETERO_PNCOMLI | Not Available2 | \n| RPOAGEPJ | APOCJ + OH ----> 1.250\\*APNCOMJ + APOCJ + OH | 2.5000E-12 | 2.5000E-12 |\n| RPOAGELJ | APNCOMJ + OH ----> OH | HETERO_PNCOMLI | Not Available2 | \n| PCSOA | PCVOC + OH ----> OH + PCSOARXN | 1.2500E-11 | 1.2500E-11 |\n| POA_AGE1 | VLVPO1 + OH ----> OH + 0.486\\*VLVPO1 + 0.006\\*VSVPO1 + 0.003\\*VSVPO2 + 0.003\\*VSVPO3 + 0.002\\*VIVPO1 + 0.294\\*VLVOO1 + 0.202\\*VLVOO2 + 0.002\\*VSVOO2 + 0.002\\*VSVOO3 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE2 | VSVPO1 + OH ----> OH + 0.300\\*VLVPO1 + 0.286\\*VSVPO1 + 0.004\\*VSVPO2 + 0.004\\*VSVPO3 + 0.224\\*VLVOO1 + 0.182\\*VLVOO2 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE3 | VSVPO2 + OH ----> OH + 0.386\\*VLVPO1 + 0.095\\*VSVPO1 + 0.137\\*VSVPO2 + 0.001\\*VSVPO3 + 0.205\\*VLVOO1 + 0.176\\*VLVOO2 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE4 | VSVPO3 + OH ----> OH + 0.218\\*VLVPO1 + 0.306\\*VSVPO1 + 0.015\\*VSVPO2 + 0.104\\*VSVPO3 + 0.189\\*VLVOO1 + 0.167\\*VLVOO2 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE5 | VIVPO1 + OH ----> OH + 0.241\\*VLVPO1 + 0.209\\*VSVPO1 + 0.300\\*VSVPO2 + 0.203\\*VLVOO1 + 0.047\\*VLVOO2 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE6 | VLVOO1 + OH ----> OH + 0.666\\*VLVOO1 + 0.014\\*VLVOO2 + 0.012\\*VSVOO1 + 0.124\\*VSVOO2 + 0.183\\*VSVOO3 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE7 | VLVOO2 + OH ----> OH + 0.286\\*VLVOO1 + 0.393\\*VLVOO2 + 0.014\\*VSVOO1 + 0.103\\*VSVOO2 + 0.204\\*VSVOO3 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE8 | VSVOO1 + OH ----> OH + 0.330\\*VLVOO1 + 0.227\\*VLVOO2 + 0.261\\*VSVOO1 + 0.070\\*VSVOO2 + 0.112\\*VSVOO3 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE9 | VSVOO2 + OH ----> OH + 0.344\\*VLVOO1 + 0.275\\*VLVOO2 + 0.049\\*VSVOO1 + 0.258\\*VSVOO2 + 0.074\\*VSVOO3 | 4.0000E-11 | 4.0000E-11 |\n| POA_AGE10 | VSVOO3 + OH ----> OH + 0.389\\*VLVOO1 + 0.242\\*VLVOO2 + 0.064\\*VSVOO1 + 0.038\\*VSVOO2 + 0.267\\*VSVOO3 | 4.0000E-11 | 4.0000E-11 |\n| HYD_MT | AMTNO3J ----> HNO3 + AMTHYDJ | 9.2590E-05 | 9.2590E-05 |\n| HYD_ISOP | AISOPNNJ ----> 2.000\\*HNO3 + 0.500\\*AMTHYDJ | 9.2590E-05 | 9.2590E-05 |\n| HET_GLY | GLY ----> AGLYJ | HETERO_PNCOMLI | Not Available2 | \n| HET_MGLY | MGLY ----> AGLYJ | HETERO_PNCOMLI | Not Available2 | \n\n0Units molecules/(sec*cm3); Value at 298.15 K; 2.4615E+19 molcules/cm3; 1.00 Atm. \n1Photolysis Reaction;depends on radiation and predicted concentrations \n2Heteorogeneous Reaction;Depends predicted concentrations \n4Set to zero if sun is below the horizon. SEAWATER equals surface fraction covered by ice free open ocean plus surf zones. P equals air pressure in atmospheres. \n7Rate constant multiple of constant for listed reaction \n" }, { "path": "CCTM/src/MECHS/mechanism_information/saprc07tic_ae7i_aq/saprc07tic_ae6i_aq_species_table_aerosol.md", "content": "|AALK1J|Accumulation Mode Alkane Product 1|Aerosol|168 |\n|AALK2J|Accumulation Mode Alkane Product 2|Aerosol|168 |\n|ABNZ1J|Accumulation Mode Benzene Product 1|Aerosol|144 |\n|ABNZ2J|Accumulation Mode Benzene Product 2|Aerosol|144 |\n|ACLI|Aitken Mode Chlorine|Aerosol|35.5 |\n|ACLJ|Accumulation Mode Chlorine|Aerosol|35.5 |\n|ACLK|Coarse Mode Chlorine|Aerosol|35.5 |\n|ADIMJ|IEPOX-derived organosulfate from IEPOX uptake onto particles|Aerosol|248.23 |\n|AGLYJ|glyoxal/methylglyoxal aerosol due to uptake on particles|Aerosol|66.4 |\n|AIEOSJ|2-methyltetrols from IEPOX uptake onto particles|Aerosol|216.2 |\n|AIETETJ|Hydroxymethyl-methyl-a-lactone|Aerosol|136.15 |\n|AIMGAJ|IEPOX-derived oligomers from IEPOX uptake onto particles|Aerosol|120.1 |\n|AIMOSJ|2-methylglyceric acid from MAE+HMML uptake onto particles|Aerosol|200.16 |\n|AISO1J|Accumulation Mode Isoprene Product 1|Aerosol|96 |\n|AISO2J|Accumulation Mode Isoprene Product 2|Aerosol|96 |\n|AISOPNNJ|SOA from isoprene dinitrates (C*=8.9 ug/m3)|Aerosol|226 |\n|ALKRXN|Precursor of Terpene Aerosol Material|Gas|112 |\n|AMTHYDJ|SOA from hydrolysis of particle-phase organic nitrates|Aerosol|185 |\n|AMTNO3J|SOA from monoterpene nitrates (C*=12 ug/m3)|Aerosol|231 |\n|AOLGAJ|Accumulation Mode Oligomerized Anthropogenic Material|Aerosol|176.4 |\n|AOLGBJ|Accumulation Mode Oligomerized Biogenic Material|Aerosol|252 |\n|APAH1J|Accumulation Mode PAH Product 1|Aerosol|243 |\n|APAH2J|Accumulation Mode PAH Product 2|Aerosol|243 |\n|APNCOMI|non-carbon organic matter (H, O, etc.) attached to POC in aitken mode|Aerosol|220 |\n|APNCOMJ|non-carbon organic matter (H, O, etc.) attached to POC in accumulation mode|Aerosol|220 |\n|APOCI|primary organic carbon in aitken mode|Aerosol|220 |\n|APOCJ|primary organic carbon in accumulation mode|Aerosol|220 |\n|ASQTJ|Accumulation Mode Sesquiterpene Aerosol|Aerosol|378 |\n|ATOL1J|Accumulation Mode Toulene Product 1|Aerosol|168 |\n|ATOL2J|Accumulation Mode Toulene Product 2|Aerosol|168 |\n|ATRP1J|Accumulation Mode Terpene Product 1|Aerosol|168 |\n|ATRP2J|Accumulation Mode Terpene Product 2|Aerosol|168 |\n|AXYL1J|Accumulation Mode Xylene Product 1|Aerosol|192 |\n|AXYL2J|Accumulation Mode Xylene Product 2|Aerosol|192 |\n|BNZHRXN|Precursor of Hydro-Benzene Aerosol Material|Gas|159.11 |\n|BNZNRXN|Precursor of Nitro-Benzene Aerosol Material|Gas|159.11 |\n|PAHHRXN|Precursor of Hydro-PAH Aerosol Material|Gas|187.2 |\n|PAHNRXN|Precursor of Nitro-PAH Aerosol Material|Gas|187.2 |\n|SESQRXN|Precursor of Sesquiterpenes Aerosol Material|Gas|204.35 |\n|SULRXN|Precursor of Aerosol Sulfate|Gas|98.08 |\n|TOLHRXN|Precursor of Hydro-Toulene Aerosol Material|Gas|172.14 |\n|TOLNRXN|Precursor of Nitro-Toulene Aerosol Material|Gas|172.14 |\n|TRPRXN|Precursor of Terpene Aerosol Material|Gas|136 |\n|XYLHRXN|Precursor of Hydro-Xylene Aerosol Material|Gas|187.17 |\n|XYLNRXN|Precursor of Nitro-Xylene Aerosol Material|Gas|187.17 |\n|H2NO3PIJ|Fine Mode Dissolved Nitric Acid||64 |\n|H2NO3PK|Coarse Mode Dissolved Nitric Acid||64 |\n" }, { "path": "CCTM/src/MECHS/mechanism_information/saprc07tic_ae7i_aq/saprc07tic_ae7i_aq_species_table.md", "content": "**The GC namelist for saprc07tic_ae7i_aq has the following gas phase species.**\n\n| **Definition** | **Definition** | **Explicit or Lumped** | **Molecular Weight** |\n|----------|-------------------------------------|----------------|-----------------|\n|ACETONE|Acetone|E|58.08 |\n|ACETYLENE|Acetylene|E|26.04 |\n|ACRO_PRIMARY|Acrolein emissions tracer|E|56.06 |\n|ACROLEIN|Acrolein|E|56.06 |\n|AFG1|Lumped photoreactive monounsaturated dicarbonyl aromatic fragmentation products that photolyze to form radicals|L|98.1 |\n|AFG2|Lumped photoreactive monounsaturated dicarbonyl aromatic fragmentation products that photolyze to form non-radical products|L|98.1 |\n|AFG3|Lumped diunsaturatred dicarbonyl aromatic fragmentation product.|L|124.14 |\n|ALK1|Alkanes and other non-aromatic compounds that react only with OH, and have kOH between 2 and 5 x 102 ppm-1 min-1. (Primarily ethane)|L|30.07 |\n|ALK2|Alkanes and other non-aromatic compounds that react only with OH, and have kOH between 5 x 102 and 2.5 x 103 ppm-1 min-1. (Primarily propane and acetylene)|L|36.73 |\n|ALK3|Alkanes and other non-aromatic compounds that react only with OH, and have kOH between 2.5 x 103 and 5 x 103 ppm-1 min-1.|L|58.61 |\n|ALK4|Alkanes and other non-aromatic compounds that react only with OH, and have kOH between 5 x 103 and 1 x 104 ppm-1 min-1.|L|77.6 |\n|ALK5|Alkanes and other non-aromatic compounds that react only with OH, and have kOH greater than 1 x 104 ppm-1 min-1.|L|118.89 |\n|APIN|a-pinene|E|136.23 |\n|ARO1|Aromatics with kOH < 2x104 ppm-1 min-1.|L|95.16 |\n|ARO2MN|ARO2 minus naphthalene|L|118.72 |\n|BACL|Biacetyl|E|86.09 |\n|BALD|Aromatic aldehydes (e.g., benzaldehyde)|L|106.13 |\n|BENZENE|Benzene|E|78.11 |\n|BENZRO2|Peroxy radical tracer from Benzene and OH reaction used to produce aerosol material|E|159.11 |\n|BUTADIENE13|1,3-butadiene|E|54.09 |\n|BZCO3|Peroxyacyl radical formed from Aromatic Aldehydes|L|137.12 |\n|BZO|Phenoxy Radicals|L|93 |\n|CCHO_PRIMARY|Acetaldehyde Emissions Tracer|E|44.05 |\n|CCHO|Acetaldehyde|E|44.05 |\n|CCOOH|Acetic Acid. Also used for peroxyacetic acid in Carter|E|60.05 |\n|CCOOOH|Proposed for Peroxyacetic Acid|E|76 |\n|CL|Chlorine atoms|E|35.5 |\n|CL2|Chlorine molecules|E|70 |\n|CLACET|Chloroacetone (and other alpha-chloro ketones that are assumed to be similarly photoreactive)|L|92.5 |\n|CLCCHO|Chloroacetaldehyde (and other alpha-chloro aldehydes that are assumed to be similarly photoreactive)|L|78.5 |\n|CLCHO|Formyl Chloride (assumed to be unreactive)|E|64.5 |\n|CLNO|Nitrosyl Chloride|E|65.5 |\n|CLNO2|Nitryl Chloride|E|81.5 |\n|CLO|Chlorine Monoxide Radicals|E|51.5 |\n|CLONO|Nitrous Hypochloride |E|81.5 |\n|CLONO2|Chlorine Nitrate|E|97.45 |\n|CO|Carbon Monoxide|E|28.01 |\n|CO2|Carbon Dioxide|E|44.01 |\n|COOH|Methyl Hydroperoxide|E|48.04 |\n|CRES|Phenols and Cresols|L|108.14 |\n|DHMOB|dihydroxy carbonyl from HC5|L|132.1 |\n|DIBOO|peroxy radical from isoprene + OH|L|133.1 |\n|ETHENE|Ethene|E|28.05 |\n|ETHLN|ethanal nitrate|E|105 |\n|ETOH|Ethanol|E|46.07 |\n|GLY|Glyoxal|E|58.04 |\n|HACET|Hydroxyacetone|E|74.1 |\n|HC5|hydroxy carbonyl alkenes from isoprene|L|100.1 |\n|HC5OO|peroxy radical from HC5|L|149.1 |\n|HCHO_PRIMARY|Formaldehyde Emission Tracer|E|30.03 |\n|HCHO|Formaldehyde|E|30.03 |\n|HCL|Hydrochloric acid|E|36.5 |\n|HCOCO3|acylperoxy radicals from glyoxal|L|89 |\n|HCOOH|Formic Acid|E|46.03 |\n|HNO3|Nitric Acid|E|63.02 |\n|HNO4|Peroxynitric Acid|E|79.02 |\n|HO2|Hydroperoxide Radicals|E|33.01 |\n|HO2H|Hydrogen Peroxide|E|34.01 |\n|HOCCHO|Glycolaldehyde|E|60.05 |\n|HOCL|HOCl|E|52.5 |\n|HONO|Nitrous Acid|E|47.02 |\n|HPALD|hydroperoxymethyl-butenals|L|116.12 |\n|IEPOX|dihydroxyepoxides|L|118.13 |\n|IEPOXOO|peroxy radical from IEPOX|L|149.12 |\n|IEPOXP|peroxy radical from IEPOX|L|118.13 |\n|IHMML|Methacrylic acid epoxide|L|102 |\n|IHMMLP|Methacrylic acid epoxide|L|102 |\n|IMACO3|Peroxyacyl radicals formed from methacrolein + OH abstraction channel|L|101.08 |\n|IMAE|Methacryloyl peroxy nitrate|E|102 |\n|IMAEP|Methacryloyl peroxy nitrate|E|102 |\n|IMAPAN|Methacrylicperoxy acid|E|147.09 |\n|IMPAA|Peroxyacyl radicals formed from methacrolein + OH abstraction channel|L|102.08 |\n|IPRD|Lumped isoprene product species|L|100.12 |\n|ISOPNB|beta-hydroxy isoprene nitrates|L|147.1 |\n|ISOPND|delta-hydroxy isoprene nitrates|L|147.1 |\n|ISOPNN|second generation isoprene dinitrate from NO3 reaction|L|226 |\n|ISOPNOOB|peroxy radical from ISOPNB|L|196.1 |\n|ISOPNOOD|peroxy radical from ISOPND|L|196.1 |\n|ISOPO2|peroxy radical from isoprene + OH|L|117.1 |\n|ISOPOOH|hydroxyhydroperoxides from ISOPO2|L|118.1 |\n|ISOPRENE|Isoprene|E|68.12 |\n|ISOPRXN|SOA precursor compounds from isoprene|L|68 |\n|MACO3|Peroxyacyl radicals formed from methacrolein and other acroleins.|L|101.08 |\n|MACR|Methacrolein|E|70.09 |\n|MACRN|methacrolein nitrate|E|149.1 |\n|MACROO|peroxy radical from MACR|L|119.1 |\n|MAPAN|PAN analogue formed from Methacrolein|L|147.09 |\n|MECO3|Acetyl Peroxy Radicals|L|75.04 |\n|MEK|Ketones and other non-aldehyde oxygenated products which react with OH radicals faster than 5 x 10-13 but slower than 5 x 10-12 cm3 molec-2 sec-1. (Based on mechanism for methyl ethyl ketone).|L|72.11 |\n|MEO2|Methyl Peroxy Radicals|L|47.03 |\n|MEOH|Methanol|E|32.04 |\n|MGLY|Methyl Glyoxal|E|72.07 |\n|MTNO3|monoterpene(TERP)-derived organic nitrates (exluding alpha-pinene)|L|231 |\n|MVK|Methyl Vinyl Ketone|E|70.09 |\n|MVKN|methylvinylketone nitrate|E|149.1 |\n|MVKOO|peroxy radical from MVK|L|119.1 |\n|MXYL|m-xylene|E|106.17 |\n|N2O5|Nitrogen Pentoxide|E|108.02 |\n|NAPHTHAL|naphthalene|E|128.2 |\n|NISOPO2|peroxy radical from isoprene + NO3|E|162.1 |\n|NISOPOOH|hydroperoxide from NISOPO2|E|163.13 |\n|NIT1|C5 carbonyl nitrates|L|145.1 |\n|NIT1NO3OOA|acyl peroxy radical from NIT1 + NO3 (abstraction of aldehydic H)|L|176.1 |\n|NIT1NO3OOB|peroxy radical from NIT1 + NO3 (addition to double bond)|L|239.1 |\n|NIT1OHOO|peroxy radical from NIT1 + OH|L|194.12 |\n|NO|Nitric Oxide|E|30.01 |\n|NO2|Nitrogen Dioxide|E|46.01 |\n|NO3|Nitrate Radical|E|62.01 |\n|NPHE|Nitrophenols|E|139.11 |\n|O1D|Excited Oxygen Atoms|E|16 |\n|O3|Ozone|E|48 |\n|O3P|Ground State Oxygen Atoms|E|16 |\n|OH|Hydroxyl Radicals|E|17.01 |\n|OLE1|Alkenes (other than ethene) with kOH < 7x104 ppm-1 min-1.|L|72.34 |\n|OLE2|Alkenes with kOH > 7x104 ppm-1 min-1.|L|75.78 |\n|OXYL|o-xylene|E|106.17 |\n|PAHRO2|PAH hydroxyperoxy radicals|L|187.2 |\n|PAN|Peroxy Acetyl Nitrate|E|121.05 |\n|PAN2|PPN and other higher alkyl PAN analogues|L|135.08 |\n|PBZN|PAN analogues formed from Aromatic Aldehydes|L|183.13 |\n|PRD2|Ketones and other non-aldehyde oxygenated products which react with OH radicals faster than 5 x 10-12 cm3 molec-2 sec-1.||116.16 |\n|PROPENE|propene|L|42.08 |\n|PROPNN|propanone nitrate from isoprene + OH|L|119.1 |\n|PXYL|p-xylene|E|106.17 |\n|PYRUACD|Pyruvic Acid|E|88.1 |\n|R6OOH|Lumped organic hydroperoxides with 5 or more carbons (other than those formed following OH addition to aromatic rings, which is reprsented separately). Mechanism based on that estimated for 3-hexyl hydroperoxide.|L|118.17 |\n|RAOOH|Organic hydroperoxides formed following OH addition to aromatic rings, which is reprsented separately because of their probable role in SOA formation. Mechanism based on two isomers expected to be formed in the m-xylene system.|L|188.18 |\n|RCHO|Lumped C3+ Aldehydes (mechanism based on propionaldehyde)|L|58.08 |\n|RCO3|Peroxy Propionyl and higher peroxy acyl Radicals|L|89.07 |\n|RCOOH|Higher organic acids and, in Carter, peroxy acids (mechanism based on propionic acid).|L|74.08 |\n|RCOOOH|Proposed Higher organic peroxy acids|L|74.08 |\n|RNO3|Lumped Organic Nitrates|L|147.18 |\n|RNO3I|Lumped Organic Nitrates from isoprene|L|147.18 |\n|RO2C|Peroxy Radical Operator representing NO to NO2 and NO3 to NO2 conversions, and the effects of peroxy radical reactions on acyl peroxy and other peroxy radicals.|L|1 |\n|RO2XC|Peroxy Radical Operator representing NO consumption (used in conjunction with organic nitrate formation), and the effects of peroxy radical reactions on NO3, acyl peroxy radicals, and other peroxy radicals.|L|1 |\n|ROOH|Lumped organic hydroperoxides with 2-4 carbons. Mechanism based on that estimated for n-propyl hydroperoxide.||76.1 |\n|SESQ|Sesquiterpenes|L|204.35 |\n|SESQRXN|Precursor of Sesquiterpenes Aerosol Material|L|204.35 |\n|SO2|Sulfur Dioxide|E|64.06 |\n|SOAALK|Alkanes that produce aerosol material|L|112 |\n|SULF|Sulfates (SO3 or H2SO4)|L|98.08 |\n|SULRXN|Precursor of Aerosol Sulfate|L|98.08 |\n| SVAVB1 | low volatility organic gas from oxidation of anthropogenic VOCs | L |179.0 |\n| SVAVB2 | semivolatile organic gas from oxidation of anthropogenic VOCs | L | 169.0 |\n| SVAVB3 | semivolatile organic gas from oxidation of anthropogenic VOCs | L |158.0 | \n| SVAVB4 | semivolatile organic gas from oxidation of anthropogenic VOCs | L | 198.0 | \n|TBUO|t-Butoxy Radicals|L|73 |\n|TERP|Terpenes|L|136.24 |\n|TERPNRO2|TERP+NO3 peroxy radical|L|197 |\n|TMBENZ124|1,2,4-trimethyl benzene|E|120.19 |\n|TOLRO2|Peroxy Radical tracker from TOLUENE and ARO1 reactions with OH; an aerosol precursor|L|172.14 |\n|TOLUENE|toluene|E|92.14 |\n|TRPRXN|Precursor of Terpene Aerosol Material|E|136 |\n|xACETONE|ACETONE production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|L|58.08 |\n|xACROLEIN|ACROLEIN production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|L|56.06 |\n|xAFG1|AFG1 production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|L|98.1 |\n|xAFG2|AFG2 production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|L|98.1 |\n|xAFG3|AFG3 production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|L|124.74 |\n|xBACL|BACL production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|L|86.09 |\n|xBALD|BALD production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|L|106.13 |\n|xCCHO|CCHO production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|L|44.05 |\n|xCL|Cl production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|L|35.5 |\n|xCLACET|CLACET production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|L|92.5 |\n|xCLCCHO|CLCCHO production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|L|78.5 |\n|xCO|CO production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|L|28.01 |\n|xGLY|GLY production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)||58.04 |\n|xHCHO|HCHO production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|L|30.03 |\n|xHO2|Formation of HO2 from alkoxy radicals formed in peroxy radical reactions with NO and NO3 (100% yields) and RO2 (50% yields)|L|33.01 |\n|xHOCCHO|HOCCHO production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|L|60.05 |\n|xIPRD|IPRD production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|L|100.12 |\n|xMACO3|MACO3 production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|L|101.08 |\n|xMACR|MACR production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|L|70.09 |\n|xMECO3|MECO3 production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|L|75.04 |\n|xMEK|MEK production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|L|72.11 |\n|xMEO2|MEO2 production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|L|47.03 |\n|xMGLY|MGLY production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|L|72.07 |\n|xMTNO3|MGLY production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|L|231 |\n|xMVK|MVK production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|L|70.09 |\n|xNO2|NO2 production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|L|46.01 |\n|xOH|OH production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|L|17.01 |\n|xPROD2|PROD2 production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|L|116.16 |\n|xRCHO|RCHO production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|L|58.08 |\n|xRCO3|RCO3 production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|L|89.07 |\n|xRNO3|RNO3 production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|L|147.18 |\n|xTBUO|TBUO production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|L|73 |\n|XYLRO2|Peroxy Radical tracker from xylene and ARO2 reactions with OH;an aerosol precursor|L|187.17 |\n|yR6OOH|R6OOH production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|L|118.17 |\n|yRAOOH|RAOOH production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|L|188.18 |\n|yROOH|ROOH production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|L|76.1 |\n|zMTNO3|ROOH production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|L|231 |\n|zRNO3|RNO3 production operator via reaction with Peroxy, Acetyl Peroxy, their operators, NO or NO3 Radicals (yield vary based on radical)|L|147.18 |\n\n\n**The AE namelist for saprc07tic_ae7i_aq has the following aerosol species.**\n\n| **Model Species** | **Definition** | **Molecular Weight** | **Explicit or Lumped** |\n| ----------------- | ---------------------------------------------------- | -------------------- | ---------------------- |\n| AAL | Aluminum | 27 | E |\n| AAVB1 | low volatility organic particulate matter from oxidation of anthropogenic VOCs | 198.0 | L |\n| AAVB2 | semivolailte organic particulate matter from oxidation of anthropogenic VOCs | 179.0 | L |\n| AAVB3 | semivolailte organic particulate matter from oxidation of anthropogenic VOCs | 169.0 | L |\n| AAVB4 | semivolailte organic particulate matter from oxidation of anthropogenic VOCs | 158.0 | L |\n| ACA | Calcium | 40.1 | E |\n| ACL | Chloride | 35.5 | E |\n|ADIM |IEPOX-derived organosulfate from IEPOX uptake onto particles|248.23 |L|\n| ACORS | Anthropogenic Coarse-mode particle mass | 100.0 | L |\n| AEC | Elemental Carbon | 12 | E |\n| AFE | Iron | 55.8 | E |\n| AGLY | Glyoxal and methylglyoxal SOA produced in aqueous aerosol material | 66.4 | L |\n| AH2O | Water | 18 | E |\n| AH3OP | Hydronium Ion | 19 | E |\n|AIEOS |2-methyltetrols from IEPOX uptake onto particles|216.2 |L|\n|AIETET |Hydroxymethyl-methyl-a-lactone|136.15 |E|\n|AIMGA |IEPOX-derived oligomers from IEPOX uptake onto particles|120.1 |L|\n|AIMOS |2-methylglyceric acid from MAE+HMML uptake onto particles|200.16 |E|\n| AISO1 | Semivolatile SOA Product from Isoprene | 132.0 | L |\n| AISO2 | High-Volatility SOA Product from Isoprene | 133.0 | L |\n| AISO3 | Acid-catalyzed Isoprene Epoxydiol SOA | 168.2 | L |\n|AISOPNN|SOA from isoprene dinitrates (C*=8.9 ug/m3)|226 |L|\n| AIVPO1 | Intermediate Volatility Primary Organic Compounds | 266 | L |\n| AK | Potassium | 39.1 | E |\n| ALVOO1 | Low Volatility Oxidized Combustion Organic Compounds | 136 | L |\n| ALVOO2 | Low Volatility Oxidized Combustion Organic Compounds | 136 | L |\n| ALVPO1 | Low Volatility Primary Organic Compounds | 218 | L |\n| AMG | Magnesium | 24.3 | E |\n| AMN | Manganese | 54.9 | E |\n| AMT1 | low volatility particulate matter from monoterpene photoxidation, C*=0.01 ug/m3 | 200.0 | L |\n| AMT2 | low volatility particulate matter from monoterpene photoxidation, C*=0.1 ug/m3 | 300.0 | L |\n| AMT3 | semivolailte particulate matter from monoterpene photoxidation, C*=1 ug/m3 | 186.0 | L |\n| AMT4 | semivolatile particulate matter from monoterpene photoxidation, C*=10 ug/m3 | 184.0 | L |\n| AMT5 | semivolatile particulate matter from monoterpene photoxidation, C*=100 ug/m3 | 170.0 | L |\n| AMT6 | semivolatile particulate matter from monoterpene photoxidation, C*=1000 ug/m3 | 168.0 | L |\n| AMTNO3 | semivolatile organic nitrates from monoterpene oxidation | 231.0 | L |\n| AMTHYD | organic pseudo-hydrolysis accretion product from monoterpene organic nitrates (AMTNO3J) | 168.0| L |\n| ANA | Sodium | 23 | E |\n| ANH4 | Ammonium | 18 | E |\n| ANO3 | Nitrate | 62 | E |\n| AOLGA | Oligomer products of anthropogenic SOA compounds | 206.0 | L |\n| AOLGB | Oligomer products of biogenic SOA compounds | 248.0 | L |\n| AORGC | Glyoxal and Methylglyoxal SOA | 177.0 | L |\n| AORGH2O | Water associated with organic species of particulate matter | 18.0 | E |\n| AOTHR | Other Particulate Mass | 200 | L |\n| APCSO | Potential Combustion SOA | 170 | L |\n| APNCOM | Non-Carbon Organic Matter associated with APOC | 220.0 | L |\n| APOC | Primary Organic Carbon | 220.0 | L |\n| ASEACAT | Sea spray cations | 23.75 | L |\n| ASI | Silicon | 28.1 | E |\n| ASO4 | Sulfate | 96 | E |\n| ASOIL | Lumped crustal species | 100.0 | L |\n| ASQT | Semivolatile SOA Product from Sesquiterpenes | 273.0 | L |\n| ASVOO1 | Semivolatile Oxidized Combustion Organic Compounds | 135 | L |\n| ASVOO2 | Semivolatile Oxidized Combustion Organic Compounds | 135 | L |\n| ASVOO3 | Semivolatile Oxidized Combustion Organic Compounds | 134 | L |\n| ASVPO1 | Semivolatile Primary Organic Compounds | 230 | L |\n| ASVPO2 | Semivolatile Primary Organic Compounds | 241 | L |\n| ASVPO3 | Semivolatile Primary Organic Compounds | 253 | L |\n| ATI | Titanium | 47.9 | E |\n| NUMACC | Accum. Mode Number Conc | NA | NA |\n| NUMAIT | Aitken Mode Number Conc | NA | NA |\n| NUMCOR | Coarse Mode Number Conc | NA | NA |\n| SRFACC | Accum. Mode Surface Area Conc | NA | NA |\n| SRFAIT | Aitken Mode Surface Area Conc | NA | NA |\n| SRFCOR | Coarse Mode Surface Area Conc | NA | NA |\n\nNote that for each aerosol mass species, a letter will be appended to the names below in order to designate the size, or mode, of the aerosol being represented: I = Aitken mode, J = Accumulation mode, K = Coarse mode. \n\n**The NR namelist for saprc07tic_ae7i_aq has the following gas phase species.**\n\n| **Model Species** | **Definition** | **Molecular Weight** | **Explicit or Lumped** |\n| ----------------- | ---------------------------------------------------- | -------------------- | ---------------------- |\n| LVPCSOG | surrogate SOA precursor gas for combustion/anthropogenic sources | 170.0 | L | \n| NH3 | ammonia | 17.0 | E | \n| SVMT1 | low volatility gas from monoterpene photoxidation | 300.0 | L |\n| SVMT2 | low volatility gas from monoterpene photoxidation | 200.0 | L |\n| SVMT3 | semivolatile gas from monoterpene photoxidation | 186.0 | L |\n| SVMT4 | semivolatile gas from monoterpene photoxidation | 184.0 | L |\n| SVMT5 | semivolatile gas from monoterpene photoxidation | 170.0 | L |\n| SVMT6 | semivolatile gas from monoterpene photoxidation | 168.0 | L |\n| SVISO1 | semivolatile gas of secondary aerosol material from isoprene | 132.0 | L | \n| SVISO2 | semivolatile gas of secondary aerosol material from isoprene | 133.0 | L | \n| SVSQT | semivolatile gas of secondary aerosol material from sesquiterpenes | 273.0 | L | \n" }, { "path": "CCTM/src/MECHS/racm2_ae6_aq/AE_racm2_ae6_aq.nml", "content": "&AE_nml\n\nAE_SPECIES_DATA = \n \n!SPECIES ,MOLWT ,Aitken ,Accum ,Coarse ,OPTICS ,IC ,ICFAC ,BC ,BC_FAC ,DRYDEP SURR ,FAC ,WET-SCAV SURR ,FAC ,AE2AQ SURR ,TRNS ,DDEP ,WDEP ,CONC\n'ASO4' , 96.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'SO4' , 1 ,'SO4' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ANH4' , 18.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'NH4' , 1 ,'NH4' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ANO3' , 62.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'NO3' , 1 ,'NO3' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ANA' , 23.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'NA' , 1 ,'NA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ACL' , 35.50 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'CL' , 1 ,'CL' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AALK1' ,225.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AALK2' ,205.10 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AXYL1' ,174.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AXYL2' ,185.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AXYL3' ,218.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ATOL1' ,163.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ATOL2' ,175.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ATOL3' ,194.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ABNZ1' ,161.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ABNZ2' ,134.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ABNZ3' ,180.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'APAH1' ,195.60 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'APAH2' ,178.70 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'APAH3' ,212.20 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ATRP1' ,177.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ATRP2' ,198.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes', \n'AISO1' ,132.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AISO2' ,133.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASQT' ,273.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AORGC' ,177.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'AORGC' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AEC' , 12.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'EC' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AOTHR' ,200.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'PRI' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AFE' , 55.80 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'FE' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AAL' , 27.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'PRI' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASI' , 28.10 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'PRI' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ATI' , 47.90 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'PRI' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ACA' , 40.10 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'CA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMG' , 24.30 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'MG' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AK' , 39.10 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'K' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMN' , 54.90 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'MN' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ACORS' ,100.00 ,F ,F ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'ANTH' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASOIL' ,100.00 ,F ,F ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'SOIL' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'NUM' , 1.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VNUM' , 1 ,'NUM' , 1 ,'NUM' ,'Yes' ,'' ,'' ,'Yes',\n'SRF' , 1.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VSRF' , 1 ,'SRF' , 1 ,'SRF' ,'Yes' ,'' ,'' ,'Yes',\n'AORGH2O' , 18.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'H2O' , 1 ,'H2O' ,'Yes' ,'' ,'' ,'Yes',\n'AH2O' , 18.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'H2O' , 1 ,'H2O' ,'Yes' ,'' ,'' ,'Yes',\n'AH3OP' , 19.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'' ,-1 ,'' ,'Yes' ,'' ,'' ,'Yes',\n'ASEACAT' , 23.75 ,F ,F ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'SEAS' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AISO3' ,168.20 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AOLGA' ,206.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AOLGB' ,248.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'APOC' ,220.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes', \n'APNCOM' ,220.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes', \n'APCSO' ,170.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ALVPO1' ,218.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASVPO1' ,230.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASVPO2' ,241.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASVPO3' ,253.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AIVPO1' ,266.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ALVOO1' ,136.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ALVOO2' ,136.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASVOO1' ,135.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASVOO2' ,135.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASVOO3' ,134.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n/\n" }, { "path": "CCTM/src/MECHS/racm2_ae6_aq/CMAQ_Control_DESID_racm2_ae6_aq.nml", "content": "!------------------------------------------------------------------------------!\n! Emission Control Interface !\n! for the !\n! Detailed Emissions Scaling, Isolation, and Diagnostics (DESID) Module, !\n! part of the !\n! Community Multiscale Air Quality (CMAQ) Model !\n! developed and maintained by the !\n! Center for Environmental Measurement and Modeling (CEMM), !\n! Office of Research and Development (ORD) !\n! U.S. Environmental Protection Agency (USEPA) !\n! !\n! This namelist is consistent with CMAQv5.4 (Release AUGUST 2022) !\n! !\n! See CMAQ User's Guide Appendix B (https://github.com/USEPA/CMAQ/blob/main/ !\n! DOCS/Users_Guide/Appendix/CMAQ_UG_appendixB_emissions_control.md) !\n! and Murphy et al., Geoscientific Model Development, 14, 3407-3420, !\n! https://doi.org/10.5194/gmd-14-3407-2021, 2021. !\n!------------------------------------------------------------------------------!\n\n!------------------------------------------------------------------------------!\n! Emissions Scaling Rule Specification Component !\n! Each rule is presented as a row of inputs. The syntax of the !\n! emissions scaling rules is the following: !\n! EM_INSTR(I) = 'Region Label', 'Stream Label', 'Emission-Species', !\n! 'CMAQ-Species', 'Phase/Mode', 'Scale Factor', 'Basis', !\n! 'Operation' !\n! !\n! See the User's Guide for detailed definitions of each field. !\n! !\n! You may confirm the effect of the (default and custom) rules below by !\n! inspecting the processor-dependent log files (\"CTM_LOG_XXX...\") !\n! !\n! Note: If no rules are provided for a species, then there is no emission !\n! of that species. !\n!------------------------------------------------------------------------------!\n&Desid_ScalingVars\n Desid_Max_Rules = 2000\n/\n\n&Desid_Scaling\n Desid_Rules_nml =\n\n ! Region | Stream Label |Emission | CMAQ- |Phase/|Scale |Basis |Op \n ! Label | |Species | Species |Mode |Factor| | \n \n ! Gases \n 'EVERYWHERE', 'ALL' ,'NO2' ,'NO2' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'NO' ,'NO' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'HONO' ,'HONO' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'HCHO' ,'HCHO' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'CO' ,'CO' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ACD' ,'ACD' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ALD' ,'ALD' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ACT' ,'ACT' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'UALD' ,'UALD' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'KET' ,'KET' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'MEK' ,'MEK' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'HKET' ,'HKET' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'MACR' ,'MACR' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'MVK' ,'MVK' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'GLY' ,'GLY' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'MGLY' ,'MGLY' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'BALD' ,'BALD' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'SO2' ,'SO2' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'SULF' ,'SULF' ,'GAS' ,0. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ETH' ,'ETH' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'HC3' ,'HC3' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'HC5' ,'HC5' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'HC8' ,'HC8' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ETE' ,'ETE' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'OLT' ,'OLT' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'OLI' ,'OLI' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'DIEN' ,'DIEN' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ACE' ,'ACE' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ORA1' ,'ORA1' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'BEN' ,'BENZENE' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PHEN' ,'PHEN' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'TOL' ,'TOL' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'CSL' ,'CSL' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'XYM' ,'XYM' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'XYP' ,'XYP' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'XYO' ,'XYO' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ISO' ,'ISO' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'API' ,'API' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'LIM' ,'LIM' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'MOH' ,'MOH' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'EOH' ,'EOH' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ROH' ,'ROH' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ETEG' ,'ETEG' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ORA2' ,'ORA2' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'SESQ' ,'SESQ' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'SOAALK' ,'SOAALK' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'NH3' ,'NH3' ,'GAS' ,1. ,'UNIT','a', \n\n ! Fine-Mode Aerosols\n 'EVERYWHERE', 'ALL' ,'SULF' ,'ASO4' ,'FINE' ,1. ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PSO4' ,'ASO4' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PNH4' ,'ANH4' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PNO3' ,'ANO3' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PCL' ,'ACL' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PNA' ,'ANA' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PEC' ,'AEC' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMOTHR' ,'AOTHR' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PFE' ,'AFE' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PAL' ,'AAL' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PSI' ,'ASI' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PTI' ,'ATI' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PCA' ,'ACA' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMG' ,'AMG' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PK' ,'AK' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMN' ,'AMN' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PH2O' ,'AH2O' ,'FINE' ,1. ,'UNIT','a', \n \n ! Coarse-Mode Inorganic Ions Scaling \n 'EVERYWHERE', 'ALL' ,'PMC' ,'ACORS' ,'COARSE',0.99675,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMC' ,'ASO4' ,'COARSE',0.001 ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMC' ,'ANO3' ,'COARSE',0.00048,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMC' ,'ACL' ,'COARSE',0.00145,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMC' ,'AH2O' ,'COARSE',0.00032,'UNIT','a', \n\n ! Fine-Mode Primary Organic Aerosol Scaling\n ! --> Nonvolatile POA\n 'EVERYWHERE', 'ALL' ,'POC' ,'APOC' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'APNCOM' ,'FINE',0. ,'MASS','a', \n ! --> Semivolatile POA (see CMAQ User's Guide Appendix B.2.2.1)\n 'EVERYWHERE', 'ALL' ,'POC' ,'VSVPO1' ,'GAS' ,0.045,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'VSVPO1' ,'GAS' ,0.045,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'POC' ,'VSVPO2' ,'GAS' ,0.14 ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'VSVPO2' ,'GAS' ,0.14 ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'POC' ,'VSVPO3' ,'GAS' ,0.18 ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'VSVPO3' ,'GAS' ,0.18 ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'POC' ,'VIVPO1' ,'GAS' ,0.50 ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'VIVPO1' ,'GAS' ,0.50 ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'POC' ,'ALVPO1' ,'FINE',0.09 ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'ALVPO1' ,'FINE',0.09 ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'POC' ,'ASVPO1' ,'FINE',0.045,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'ASVPO1' ,'FINE',0.045,'MASS','a', \n \n ! pcSOA is a CMAQ species introduced to account for missing pathways for SOA\n ! formation from combustion sources. It accounts for IVOC oxidation as well as \n ! other phenomena (Murphy et al., ACP, 2017). It was parameterized based on data\n ! primarily from Los Angeles, where vehicle exhaust continues to dominate.\n 'EVERYWHERE', 'ALL' ,'POC' ,'PCVOC' ,'GAS' ,6.579,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'PCVOC' ,'GAS' ,6.579,'MASS','a', \n\n ! However, the added pcSOA is probably inappropriate for Fire sources, especially\n ! in its current configuration. This pathway should be zeroed out for all fire\n ! and wood-burning related sources.\n 'EVERYWHERE', 'PT_FIRES' ,'ALL' ,'PCVOC' ,'GAS' ,0.0 ,'MASS','o', \n 'EVERYWHERE', 'PT_RXFIRES' ,'ALL' ,'PCVOC' ,'GAS' ,0.0 ,'MASS','o', \n 'EVERYWHERE', 'PT_AGFIRES' ,'ALL' ,'PCVOC' ,'GAS' ,0.0 ,'MASS','o', \n 'EVERYWHERE', 'PT_OTHFIRES' ,'ALL' ,'PCVOC' ,'GAS' ,0.0 ,'MASS','o', \n 'EVERYWHERE', 'PT_FIRES_MXCA','ALL' ,'PCVOC' ,'GAS' ,0.0 ,'MASS','o', \n 'EVERYWHERE', 'GR_RES_FIRES' ,'ALL' ,'PCVOC' ,'GAS' ,0.0 ,'MASS','o', \n \n ! Wind-Blown Dust and Sea Spray Scaling\n ! Fine Components\n 'EVERYWHERE', 'ALL' ,'PMFINE_LVPO1','ALVPO1' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_LVOO1','ALVOO1' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_SO4' ,'ASO4' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_NO3' ,'ANO3' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_CL' ,'ACL' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_NH4' ,'ANH4' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_NA' ,'ANA' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_CA' ,'ACA' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_MG' ,'AMG' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_K' ,'AK' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_FE' ,'AFE' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_AL' ,'AAL' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_SI' ,'ASI' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_TI' ,'ATI' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_MN' ,'AMN' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_H2O' ,'AH2O' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_OTHR' ,'AOTHR' ,'FINE',1. ,'UNIT','a', \n\n ! Wind-Blown Dust and Sea Spray Scaling\n ! Coarse Components \n 'EVERYWHERE', 'ALL' ,'PMCOARSE_SO4','ASO4' ,'COARSE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMCOARSE_NO3','ANO3' ,'COARSE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMCOARSE_CL' ,'ACL' ,'COARSE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMCOARSE_H2O','AH2O' ,'COARSE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMCOARSE_SOIL','ASOIL' ,'COARSE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMCOARSE_SEACAT','ASEACAT' ,'COARSE',1. ,'UNIT','a', \n \n/\n\n" }, { "path": "CCTM/src/MECHS/racm2_ae6_aq/CSQY_DATA_racm2_ae6_aq", "content": "Table for Mechanism = RACM2_AE6_AQ \nNPHOTAB = 30\n!Individual rates listed below:\nO3O3P_NASA06 \nO3O1D_NASA06 \nH2O2_RACM2 \nNO2_RACM2 \nNO3NO_RACM2 \nNO3NO2_RACM2 \nHONO_RACM2 \nHNO3_RACM2 \nHNO4_RACM2 \nHCHO_MOL_JPL19 \nHCHO_RAD_JPL19 \nCH3CHO_RACM2 \nALD_RACM2 \nCH3COCH3_RACM2 \nUALD_RACM2 \nMEK_RACM2 \nKET_RACM2 \nHKET_RACM2 \nMACR_RACM2 \nMVK_RACM2 \nGLYH2_RACM2 \nGLYF_RACM2 \nGLYHX_RACM2 \nMGLY_RACM2 \nBALD_RACM2 \nOP1_RACM2 \nPAA_RACM2 \nONIT_RACM2 \nPAN1_RACM2 \nPAN2_RACM2 \nNTEMP = 6\n! I TEMP( I ) K\n 1 210.00\n 2 230.00\n 3 250.00\n 4 270.00\n 5 290.00\n 6 310.00\n! Wavelength and Photolysis Rate Parameters for CMAQ In-Line Photolysis\n! calculation . The values are determined by averaging technique over the below\n! number of wavelength bins. The technique employs an approach used by the FASTJX\n! versions 6 and 7.\n!References:\n! 1) Bian, H. S. and Prather, M. J.: Fast-J2: accurate simulation of stratospheric\n! photolysis in global chemical models, J. Atmos. Chem., 41, 281-296\n doi:10.1023/A:1014980619462, 2002.\n! 2) Hsu, J. and Prather, M. J.: Stratospheric variability and tropospheric ozone,\n! J. Geophys. Res., 114, D06102, doi:10.1029/2008JD010942, 2009.\n! 3) Prather, M. J.: Fast-JX versions and utilities, available at:\n! http://www.ess.uci.edu/researchgrp/prather/scholar_software/fast-jx\n! (last accessed: 24 January 2014), 2014.\n! Wave bands and Solar Flux\n! \nN_INLINE_BAND = 7\n! I, START_WL_BIN(nm), EFFECT_WL_BIN_(nm), END_WL_BIN_(nm), photon_flux(cm-2*s-1), \n 1, 291.000, 294.590, 298.300, 5.8828E+14, \n 2, 298.300, 303.151, 307.500, 7.6354E+14, \n 3, 307.500, 310.007, 312.500, 5.0412E+14, \n 4, 312.500, 316.434, 320.300, 8.9628E+14, \n 5, 320.300, 333.076, 345.000, 3.8537E+15, \n 6, 345.000, 381.997, 412.500, 1.5457E+16, \n 7, 412.500, 607.723, 850.000, 2.1307E+17, \n!... CS = absorption cross sections averaged over UCI Solar Flux\n!... QY = quantum yields averaged over UCI Solar Flux\n!... EQY = eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n!PHOTAB QUANTITY TEMP WBIN( 1) WBIN( 2) WBIN( 3) WBIN( 4) WBIN( 5) WBIN( 6) WBIN( 7)\nO3O3P_NASA06 CS 210.000 7.688467E-19 2.422055E-19 8.920470E-20 3.650450E-20 4.746825E-21 6.139220E-23 1.666851E-21\nO3O3P_NASA06 EQY 210.000 1.000000E-01 1.041791E-01 4.952917E-01 8.153871E-01 8.979595E-01 9.291306E-01 1.000000E+00\nO3O3P_NASA06 CS 230.000 7.803585E-19 2.474376E-19 9.195177E-20 3.806528E-20 5.075878E-21 6.139220E-23 1.666851E-21\nO3O3P_NASA06 EQY 230.000 1.000000E-01 1.041791E-01 4.902279E-01 8.178273E-01 8.979595E-01 9.291306E-01 1.000000E+00\nO3O3P_NASA06 CS 250.000 7.995448E-19 2.561579E-19 9.653022E-20 4.066658E-20 5.624299E-21 6.139220E-23 1.666851E-21\nO3O3P_NASA06 EQY 250.000 1.000000E-01 1.041791E-01 4.818958E-01 8.188244E-01 8.979595E-01 9.291306E-01 1.000000E+00\nO3O3P_NASA06 CS 270.000 8.187311E-19 2.648782E-19 1.011087E-19 4.326788E-20 6.172721E-21 6.139220E-23 1.666851E-21\nO3O3P_NASA06 EQY 270.000 1.000000E-01 1.041791E-01 4.677566E-01 8.131744E-01 8.979595E-01 9.291306E-01 1.000000E+00\nO3O3P_NASA06 CS 290.000 8.379175E-19 2.735984E-19 1.056871E-19 4.586918E-20 6.721143E-21 6.139220E-23 1.666851E-21\nO3O3P_NASA06 EQY 290.000 1.000000E-01 1.041791E-01 4.431264E-01 7.889175E-01 8.979595E-01 9.291306E-01 1.000000E+00\nO3O3P_NASA06 CS 310.000 8.407954E-19 2.749065E-19 1.063739E-19 4.625938E-20 6.803406E-21 6.139220E-23 1.666851E-21\nO3O3P_NASA06 EQY 310.000 1.000000E-01 1.041791E-01 3.989815E-01 7.203341E-01 8.979595E-01 9.291306E-01 1.000000E+00\nO3O1D_NASA06 CS 210.000 7.808049E-19 2.423500E-19 8.920470E-20 3.650450E-20 4.604240E-21 5.459842E-23 0.000000E+00\nO3O1D_NASA06 EQY 210.000 9.000000E-01 8.958209E-01 5.047083E-01 1.846129E-01 1.020405E-01 7.086939E-02 0.000000E+00\nO3O1D_NASA06 CS 230.000 7.924958E-19 2.475853E-19 9.195177E-20 3.806528E-20 4.923409E-21 5.459842E-23 0.000000E+00\nO3O1D_NASA06 EQY 230.000 9.000000E-01 8.958209E-01 5.097721E-01 1.821727E-01 1.020405E-01 7.086939E-02 0.000000E+00\nO3O1D_NASA06 CS 250.000 8.119805E-19 2.563108E-19 9.653022E-20 4.066658E-20 5.455358E-21 5.459842E-23 0.000000E+00\nO3O1D_NASA06 EQY 250.000 9.000000E-01 8.958209E-01 5.181042E-01 1.811756E-01 1.020405E-01 7.086939E-02 0.000000E+00\nO3O1D_NASA06 CS 270.000 8.314653E-19 2.650363E-19 1.011087E-19 4.326788E-20 5.987306E-21 5.459842E-23 0.000000E+00\nO3O1D_NASA06 EQY 270.000 9.000000E-01 8.958209E-01 5.322434E-01 1.868256E-01 1.020405E-01 7.086939E-02 0.000000E+00\nO3O1D_NASA06 CS 290.000 8.509500E-19 2.737617E-19 1.056871E-19 4.586918E-20 6.519254E-21 5.459842E-23 0.000000E+00\nO3O1D_NASA06 EQY 290.000 9.000000E-01 8.958209E-01 5.568736E-01 2.110825E-01 1.020405E-01 7.086939E-02 0.000000E+00\nO3O1D_NASA06 CS 310.000 8.538727E-19 2.750705E-19 1.063739E-19 4.625938E-20 6.599046E-21 5.459842E-23 0.000000E+00\nO3O1D_NASA06 EQY 310.000 9.000000E-01 8.958209E-01 6.010185E-01 2.796659E-01 1.020405E-01 7.086939E-02 0.000000E+00\nH2O2_RACM2 CS 210.000 8.527608E-21 5.100901E-21 3.367998E-21 2.275936E-21 8.877982E-22 3.606306E-23 0.000000E+00\nH2O2_RACM2 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nH2O2_RACM2 CS 230.000 8.650794E-21 5.196512E-21 3.446407E-21 2.339455E-21 9.231624E-22 3.606306E-23 0.000000E+00\nH2O2_RACM2 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nH2O2_RACM2 CS 250.000 8.817123E-21 5.325610E-21 3.552278E-21 2.425221E-21 9.709122E-22 3.606306E-23 0.000000E+00\nH2O2_RACM2 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nH2O2_RACM2 CS 270.000 9.028511E-21 5.489680E-21 3.686830E-21 2.534221E-21 1.031598E-21 3.606306E-23 0.000000E+00\nH2O2_RACM2 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nH2O2_RACM2 CS 290.000 9.284830E-21 5.688624E-21 3.849979E-21 2.666389E-21 1.105182E-21 3.606306E-23 0.000000E+00\nH2O2_RACM2 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nH2O2_RACM2 CS 310.000 9.584270E-21 5.921037E-21 4.040577E-21 2.820792E-21 1.191145E-21 3.606306E-23 0.000000E+00\nH2O2_RACM2 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nNO2_RACM2 CS 210.000 1.058805E-19 1.460434E-19 1.905840E-19 2.362586E-19 3.715161E-19 5.867486E-19 1.088657E-19\nNO2_RACM2 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 7.961922E-01 2.423882E-03\nNO2_RACM2 CS 230.000 1.060328E-19 1.459734E-19 1.901860E-19 2.350003E-19 3.679235E-19 5.852241E-19 1.085850E-19\nNO2_RACM2 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 7.961922E-01 2.423882E-03\nNO2_RACM2 CS 250.000 1.063375E-19 1.458335E-19 1.893902E-19 2.324836E-19 3.607383E-19 5.821752E-19 1.080235E-19\nNO2_RACM2 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 7.969987E-01 2.507727E-03\nNO2_RACM2 CS 270.000 1.066422E-19 1.456936E-19 1.885943E-19 2.299669E-19 3.535530E-19 5.791262E-19 1.074620E-19\nNO2_RACM2 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 8.050633E-01 3.346181E-03\nNO2_RACM2 CS 290.000 1.069468E-19 1.455536E-19 1.877985E-19 2.274503E-19 3.463678E-19 5.760772E-19 1.069005E-19\nNO2_RACM2 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 8.131279E-01 4.184634E-03\nNO2_RACM2 CS 310.000 1.070078E-19 1.455256E-19 1.876393E-19 2.269469E-19 3.449308E-19 5.754674E-19 1.067882E-19\nNO2_RACM2 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 8.163537E-01 4.520015E-03\nNO3NO_RACM2 CS 210.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 5.348470E-21 1.872219E-18\nNO3NO_RACM2 EQY 210.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 6.767835E-02\nNO3NO_RACM2 CS 230.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 5.075907E-21 1.776809E-18\nNO3NO_RACM2 EQY 230.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 6.699507E-02\nNO3NO_RACM2 CS 250.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.791067E-21 1.677102E-18\nNO3NO_RACM2 EQY 250.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 6.679738E-02\nNO3NO_RACM2 CS 270.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.498338E-21 1.574633E-18\nNO3NO_RACM2 EQY 270.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 6.659967E-02\nNO3NO_RACM2 CS 290.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.201227E-21 1.470630E-18\nNO3NO_RACM2 EQY 290.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 6.640198E-02\nNO3NO_RACM2 CS 310.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 3.902507E-21 1.366063E-18\nNO3NO_RACM2 EQY 310.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 6.632289E-02\nNO3NO2_RACM2 CS 210.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 5.348470E-21 1.872219E-18\nNO3NO2_RACM2 EQY 210.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00 5.038201E-01\nNO3NO2_RACM2 CS 230.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 5.075907E-21 1.776809E-18\nNO3NO2_RACM2 EQY 230.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00 5.129623E-01\nNO3NO2_RACM2 CS 250.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.791067E-21 1.677102E-18\nNO3NO2_RACM2 EQY 250.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00 5.207280E-01\nNO3NO2_RACM2 CS 270.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.498338E-21 1.574633E-18\nNO3NO2_RACM2 EQY 270.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00 5.284936E-01\nNO3NO2_RACM2 CS 290.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.201227E-21 1.470630E-18\nNO3NO2_RACM2 EQY 290.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00 5.362592E-01\nNO3NO2_RACM2 CS 310.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 3.902507E-21 1.366063E-18\nNO3NO2_RACM2 EQY 310.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00 5.393655E-01\nHONO_RACM2 CS 210.000 5.628977E-21 9.694364E-21 1.881716E-20 2.969466E-20 7.453932E-20 6.563367E-20 0.000000E+00\nHONO_RACM2 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHONO_RACM2 CS 230.000 5.628977E-21 9.694364E-21 1.881716E-20 2.969466E-20 7.453932E-20 6.563367E-20 0.000000E+00\nHONO_RACM2 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHONO_RACM2 CS 250.000 5.628977E-21 9.694364E-21 1.881716E-20 2.969466E-20 7.453932E-20 6.563367E-20 0.000000E+00\nHONO_RACM2 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHONO_RACM2 CS 270.000 5.628977E-21 9.694364E-21 1.881716E-20 2.969466E-20 7.453932E-20 6.563367E-20 0.000000E+00\nHONO_RACM2 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHONO_RACM2 CS 290.000 5.628977E-21 9.694364E-21 1.881716E-20 2.969466E-20 7.453932E-20 6.563367E-20 0.000000E+00\nHONO_RACM2 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHONO_RACM2 CS 310.000 5.628977E-21 9.694364E-21 1.881716E-20 2.969466E-20 7.453932E-20 6.563367E-20 0.000000E+00\nHONO_RACM2 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHNO3_RACM2 CS 210.000 3.477740E-21 1.421362E-21 5.692533E-22 2.194328E-22 2.062589E-23 3.797806E-25 0.000000E+00\nHNO3_RACM2 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHNO3_RACM2 CS 230.000 3.663356E-21 1.522325E-21 6.201572E-22 2.451096E-22 2.494077E-23 3.837348E-25 0.000000E+00\nHNO3_RACM2 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHNO3_RACM2 CS 250.000 3.858879E-21 1.630460E-21 6.756130E-22 2.737909E-22 3.015831E-23 3.877301E-25 0.000000E+00\nHNO3_RACM2 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHNO3_RACM2 CS 270.000 4.064837E-21 1.746275E-21 7.360279E-22 3.058283E-22 3.646735E-23 3.917671E-25 0.000000E+00\nHNO3_RACM2 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHNO3_RACM2 CS 290.000 4.281789E-21 1.870318E-21 8.018451E-22 3.416145E-22 4.409623E-23 3.958460E-25 0.000000E+00\nHNO3_RACM2 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHNO3_RACM2 CS 310.000 4.510320E-21 2.003171E-21 8.735479E-22 3.815883E-22 5.332105E-23 3.999674E-25 0.000000E+00\nHNO3_RACM2 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHNO4_RACM2 CS 210.000 2.329949E-20 9.144530E-21 3.983048E-21 1.967534E-21 3.976035E-22 3.285247E-24 0.000000E+00\nHNO4_RACM2 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHNO4_RACM2 CS 230.000 2.378244E-20 9.477436E-21 4.200296E-21 2.110804E-21 4.511061E-22 4.554065E-24 0.000000E+00\nHNO4_RACM2 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHNO4_RACM2 CS 250.000 2.447801E-20 9.956912E-21 4.513192E-21 2.317151E-21 5.281641E-22 6.381496E-24 0.000000E+00\nHNO4_RACM2 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHNO4_RACM2 CS 270.000 2.541218E-20 1.060086E-20 4.933421E-21 2.594282E-21 6.316551E-22 8.835790E-24 0.000000E+00\nHNO4_RACM2 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHNO4_RACM2 CS 290.000 2.660059E-20 1.142006E-20 5.468013E-21 2.946832E-21 7.633113E-22 1.195802E-23 0.000000E+00\nHNO4_RACM2 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHNO4_RACM2 CS 310.000 2.804907E-20 1.241853E-20 6.119599E-21 3.376538E-21 9.237795E-22 1.576353E-23 0.000000E+00\nHNO4_RACM2 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHCHO_MOL_JPL19 CS 210.000 3.421879E-20 3.560449E-20 1.657337E-20 3.516176E-20 1.954326E-20 8.429568E-22 0.000000E+00\nHCHO_MOL_JPL19 EQY 210.000 2.573368E-01 2.406493E-01 2.610733E-01 3.312798E-01 5.995203E-01 2.668753E-01 0.000000E+00\nHCHO_MOL_JPL19 CS 230.000 3.421879E-20 3.560449E-20 1.657337E-20 3.516176E-20 1.954326E-20 8.429568E-22 0.000000E+00\nHCHO_MOL_JPL19 EQY 230.000 2.573368E-01 2.406493E-01 2.610733E-01 3.312798E-01 5.995203E-01 2.668753E-01 0.000000E+00\nHCHO_MOL_JPL19 CS 250.000 3.421879E-20 3.560449E-20 1.657337E-20 3.516176E-20 1.954326E-20 8.429568E-22 0.000000E+00\nHCHO_MOL_JPL19 EQY 250.000 2.573368E-01 2.406493E-01 2.610733E-01 3.312798E-01 5.995203E-01 2.668753E-01 0.000000E+00\nHCHO_MOL_JPL19 CS 270.000 3.421879E-20 3.560449E-20 1.657337E-20 3.516176E-20 1.954326E-20 8.429568E-22 0.000000E+00\nHCHO_MOL_JPL19 EQY 270.000 2.573368E-01 2.406493E-01 2.610733E-01 3.312798E-01 5.995203E-01 2.668753E-01 0.000000E+00\nHCHO_MOL_JPL19 CS 290.000 3.421879E-20 3.560449E-20 1.657337E-20 3.516176E-20 1.954326E-20 8.429568E-22 0.000000E+00\nHCHO_MOL_JPL19 EQY 290.000 2.573368E-01 2.406493E-01 2.610733E-01 3.312798E-01 5.995203E-01 2.668753E-01 0.000000E+00\nHCHO_MOL_JPL19 CS 310.000 3.421879E-20 3.560449E-20 1.657337E-20 3.516176E-20 1.954326E-20 8.429568E-22 0.000000E+00\nHCHO_MOL_JPL19 EQY 310.000 2.573368E-01 2.406493E-01 2.610733E-01 3.312798E-01 5.995203E-01 2.668753E-01 0.000000E+00\nHCHO_RAD_JPL19 CS 210.000 3.421879E-20 3.560449E-20 1.657337E-20 3.516176E-20 1.954326E-20 8.429568E-22 0.000000E+00\nHCHO_RAD_JPL19 EQY 210.000 7.308307E-01 7.593507E-01 7.389267E-01 6.687202E-01 2.626862E-01 0.000000E+00 0.000000E+00\nHCHO_RAD_JPL19 CS 230.000 3.421879E-20 3.560449E-20 1.657337E-20 3.516176E-20 1.954326E-20 8.429568E-22 0.000000E+00\nHCHO_RAD_JPL19 EQY 230.000 7.308307E-01 7.593507E-01 7.389267E-01 6.687202E-01 2.626862E-01 0.000000E+00 0.000000E+00\nHCHO_RAD_JPL19 CS 250.000 3.421879E-20 3.560449E-20 1.657337E-20 3.516176E-20 1.954326E-20 8.429568E-22 0.000000E+00\nHCHO_RAD_JPL19 EQY 250.000 7.308307E-01 7.593507E-01 7.389267E-01 6.687202E-01 2.626862E-01 0.000000E+00 0.000000E+00\nHCHO_RAD_JPL19 CS 270.000 3.421879E-20 3.560449E-20 1.657337E-20 3.516176E-20 1.954326E-20 8.429568E-22 0.000000E+00\nHCHO_RAD_JPL19 EQY 270.000 7.308307E-01 7.593507E-01 7.389267E-01 6.687202E-01 2.626862E-01 0.000000E+00 0.000000E+00\nHCHO_RAD_JPL19 CS 290.000 3.421879E-20 3.560449E-20 1.657337E-20 3.516176E-20 1.954326E-20 8.429568E-22 0.000000E+00\nHCHO_RAD_JPL19 EQY 290.000 7.308307E-01 7.593507E-01 7.389267E-01 6.687202E-01 2.626862E-01 0.000000E+00 0.000000E+00\nHCHO_RAD_JPL19 CS 310.000 3.421879E-20 3.560449E-20 1.657337E-20 3.516176E-20 1.954326E-20 8.429568E-22 0.000000E+00\nHCHO_RAD_JPL19 EQY 310.000 7.308307E-01 7.593507E-01 7.389267E-01 6.687202E-01 2.626862E-01 0.000000E+00 0.000000E+00\nCH3CHO_RACM2 CS 210.000 4.432880E-20 3.689178E-20 2.913527E-20 2.067145E-20 5.819010E-21 1.448852E-23 0.000000E+00\nCH3CHO_RACM2 EQY 210.000 4.909960E-01 3.900005E-01 2.794830E-01 1.560880E-01 3.457768E-02 0.000000E+00 0.000000E+00\nCH3CHO_RACM2 CS 230.000 4.432880E-20 3.689178E-20 2.913527E-20 2.067145E-20 5.819010E-21 1.448852E-23 0.000000E+00\nCH3CHO_RACM2 EQY 230.000 4.909960E-01 3.900005E-01 2.794830E-01 1.560880E-01 3.457768E-02 0.000000E+00 0.000000E+00\nCH3CHO_RACM2 CS 250.000 4.432880E-20 3.689178E-20 2.913527E-20 2.067145E-20 5.819010E-21 1.448852E-23 0.000000E+00\nCH3CHO_RACM2 EQY 250.000 4.909960E-01 3.900005E-01 2.794830E-01 1.560880E-01 3.457768E-02 0.000000E+00 0.000000E+00\nCH3CHO_RACM2 CS 270.000 4.432880E-20 3.689178E-20 2.913527E-20 2.067145E-20 5.819010E-21 1.448852E-23 0.000000E+00\nCH3CHO_RACM2 EQY 270.000 4.909960E-01 3.900005E-01 2.794830E-01 1.560880E-01 3.457768E-02 0.000000E+00 0.000000E+00\nCH3CHO_RACM2 CS 290.000 4.432880E-20 3.689178E-20 2.913527E-20 2.067145E-20 5.819010E-21 1.448852E-23 0.000000E+00\nCH3CHO_RACM2 EQY 290.000 4.909960E-01 3.900005E-01 2.794830E-01 1.560880E-01 3.457768E-02 0.000000E+00 0.000000E+00\nCH3CHO_RACM2 CS 310.000 4.432880E-20 3.689178E-20 2.913527E-20 2.067145E-20 5.819010E-21 1.448852E-23 0.000000E+00\nCH3CHO_RACM2 EQY 310.000 4.909960E-01 3.900005E-01 2.794830E-01 1.560880E-01 3.457768E-02 0.000000E+00 0.000000E+00\nALD_RACM2 CS 210.000 5.538528E-20 4.640879E-20 3.579653E-20 2.484046E-20 5.903155E-21 1.354964E-23 0.000000E+00\nALD_RACM2 EQY 210.000 7.837766E-01 6.537235E-01 3.518922E-01 1.871543E-01 4.463136E-02 0.000000E+00 0.000000E+00\nALD_RACM2 CS 230.000 5.538528E-20 4.640879E-20 3.579653E-20 2.484046E-20 5.903155E-21 1.354964E-23 0.000000E+00\nALD_RACM2 EQY 230.000 7.837766E-01 6.537235E-01 3.518922E-01 1.871543E-01 4.463136E-02 0.000000E+00 0.000000E+00\nALD_RACM2 CS 250.000 5.538528E-20 4.640879E-20 3.579653E-20 2.484046E-20 5.903155E-21 1.354964E-23 0.000000E+00\nALD_RACM2 EQY 250.000 7.837766E-01 6.537235E-01 3.518922E-01 1.871543E-01 4.463136E-02 0.000000E+00 0.000000E+00\nALD_RACM2 CS 270.000 5.538528E-20 4.640879E-20 3.579653E-20 2.484046E-20 5.903155E-21 1.354964E-23 0.000000E+00\nALD_RACM2 EQY 270.000 7.837766E-01 6.537235E-01 3.518922E-01 1.871543E-01 4.463136E-02 0.000000E+00 0.000000E+00\nALD_RACM2 CS 290.000 5.538528E-20 4.640879E-20 3.579653E-20 2.484046E-20 5.903155E-21 1.354964E-23 0.000000E+00\nALD_RACM2 EQY 290.000 7.837766E-01 6.537235E-01 3.518922E-01 1.871543E-01 4.463136E-02 0.000000E+00 0.000000E+00\nALD_RACM2 CS 310.000 5.538528E-20 4.640879E-20 3.579653E-20 2.484046E-20 5.903155E-21 1.354964E-23 0.000000E+00\nALD_RACM2 EQY 310.000 7.837766E-01 6.537235E-01 3.518922E-01 1.871543E-01 4.463136E-02 0.000000E+00 0.000000E+00\nCH3COCH3_RACM2 CS 210.000 3.470896E-20 2.266993E-20 1.367786E-20 7.413494E-21 9.284874E-22 8.095747E-25 0.000000E+00\nCH3COCH3_RACM2 EQY 210.000 6.768508E-01 4.859926E-01 2.085669E-01 7.929024E-02 2.410316E-02 0.000000E+00 0.000000E+00\nCH3COCH3_RACM2 CS 230.000 3.470896E-20 2.266993E-20 1.367786E-20 7.413494E-21 9.284874E-22 8.095747E-25 0.000000E+00\nCH3COCH3_RACM2 EQY 230.000 6.768508E-01 4.859926E-01 2.085669E-01 7.929024E-02 2.410316E-02 0.000000E+00 0.000000E+00\nCH3COCH3_RACM2 CS 250.000 3.470896E-20 2.266993E-20 1.367786E-20 7.413494E-21 9.284874E-22 8.095747E-25 0.000000E+00\nCH3COCH3_RACM2 EQY 250.000 6.768508E-01 4.859926E-01 2.085669E-01 7.929024E-02 2.410316E-02 0.000000E+00 0.000000E+00\nCH3COCH3_RACM2 CS 270.000 3.470896E-20 2.266993E-20 1.367786E-20 7.413494E-21 9.284874E-22 8.095747E-25 0.000000E+00\nCH3COCH3_RACM2 EQY 270.000 6.768508E-01 4.859926E-01 2.085669E-01 7.929024E-02 2.410316E-02 0.000000E+00 0.000000E+00\nCH3COCH3_RACM2 CS 290.000 3.470896E-20 2.266993E-20 1.367786E-20 7.413494E-21 9.284874E-22 8.095747E-25 0.000000E+00\nCH3COCH3_RACM2 EQY 290.000 6.768508E-01 4.859926E-01 2.085669E-01 7.929024E-02 2.410316E-02 0.000000E+00 0.000000E+00\nCH3COCH3_RACM2 CS 310.000 3.470896E-20 2.266993E-20 1.367786E-20 7.413494E-21 9.284874E-22 8.095747E-25 0.000000E+00\nCH3COCH3_RACM2 EQY 310.000 6.768508E-01 4.859926E-01 2.085669E-01 7.929024E-02 2.410316E-02 0.000000E+00 0.000000E+00\nUALD_RACM2 CS 210.000 2.726167E-20 3.900286E-20 4.799106E-20 5.560386E-20 5.993363E-20 1.199965E-20 0.000000E+00\nUALD_RACM2 EQY 210.000 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 0.000000E+00\nUALD_RACM2 CS 230.000 2.726167E-20 3.900286E-20 4.799106E-20 5.560386E-20 5.993363E-20 1.199965E-20 0.000000E+00\nUALD_RACM2 EQY 230.000 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 0.000000E+00\nUALD_RACM2 CS 250.000 2.726167E-20 3.900286E-20 4.799106E-20 5.560386E-20 5.993363E-20 1.199965E-20 0.000000E+00\nUALD_RACM2 EQY 250.000 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 0.000000E+00\nUALD_RACM2 CS 270.000 2.726167E-20 3.900286E-20 4.799106E-20 5.560386E-20 5.993363E-20 1.199965E-20 0.000000E+00\nUALD_RACM2 EQY 270.000 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 0.000000E+00\nUALD_RACM2 CS 290.000 2.726167E-20 3.900286E-20 4.799106E-20 5.560386E-20 5.993363E-20 1.199965E-20 0.000000E+00\nUALD_RACM2 EQY 290.000 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 0.000000E+00\nUALD_RACM2 CS 310.000 2.726167E-20 3.900286E-20 4.799106E-20 5.560386E-20 5.993363E-20 1.199965E-20 0.000000E+00\nUALD_RACM2 EQY 310.000 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 3.000000E-02 0.000000E+00\nMEK_RACM2 CS 210.000 4.152334E-20 2.674522E-20 1.566876E-20 7.717199E-21 7.863385E-22 0.000000E+00 0.000000E+00\nMEK_RACM2 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nMEK_RACM2 CS 230.000 4.152334E-20 2.674522E-20 1.566876E-20 7.717199E-21 7.863385E-22 0.000000E+00 0.000000E+00\nMEK_RACM2 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nMEK_RACM2 CS 250.000 4.152334E-20 2.674522E-20 1.566876E-20 7.717199E-21 7.863385E-22 0.000000E+00 0.000000E+00\nMEK_RACM2 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nMEK_RACM2 CS 270.000 4.152334E-20 2.674522E-20 1.566876E-20 7.717199E-21 7.863385E-22 0.000000E+00 0.000000E+00\nMEK_RACM2 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nMEK_RACM2 CS 290.000 4.152334E-20 2.674522E-20 1.566876E-20 7.717199E-21 7.863385E-22 0.000000E+00 0.000000E+00\nMEK_RACM2 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nMEK_RACM2 CS 310.000 4.152334E-20 2.674522E-20 1.566876E-20 7.717199E-21 7.863385E-22 0.000000E+00 0.000000E+00\nMEK_RACM2 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nKET_RACM2 CS 210.000 4.152334E-20 2.674522E-20 1.566876E-20 7.717199E-21 7.863385E-22 0.000000E+00 0.000000E+00\nKET_RACM2 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nKET_RACM2 CS 230.000 4.152334E-20 2.674522E-20 1.566876E-20 7.717199E-21 7.863385E-22 0.000000E+00 0.000000E+00\nKET_RACM2 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nKET_RACM2 CS 250.000 4.152334E-20 2.674522E-20 1.566876E-20 7.717199E-21 7.863385E-22 0.000000E+00 0.000000E+00\nKET_RACM2 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nKET_RACM2 CS 270.000 4.152334E-20 2.674522E-20 1.566876E-20 7.717199E-21 7.863385E-22 0.000000E+00 0.000000E+00\nKET_RACM2 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nKET_RACM2 CS 290.000 4.152334E-20 2.674522E-20 1.566876E-20 7.717199E-21 7.863385E-22 0.000000E+00 0.000000E+00\nKET_RACM2 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nKET_RACM2 CS 310.000 4.152334E-20 2.674522E-20 1.566876E-20 7.717199E-21 7.863385E-22 0.000000E+00 0.000000E+00\nKET_RACM2 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nHKET_RACM2 CS 210.000 1.992923E-20 7.535076E-21 2.932970E-21 1.413067E-21 3.523287E-22 0.000000E+00 0.000000E+00\nHKET_RACM2 EQY 210.000 6.500000E-01 6.500000E-01 6.500000E-01 6.500000E-01 6.500000E-01 0.000000E+00 0.000000E+00\nHKET_RACM2 CS 230.000 1.992923E-20 7.535076E-21 2.932970E-21 1.413067E-21 3.523287E-22 0.000000E+00 0.000000E+00\nHKET_RACM2 EQY 230.000 6.500000E-01 6.500000E-01 6.500000E-01 6.500000E-01 6.500000E-01 0.000000E+00 0.000000E+00\nHKET_RACM2 CS 250.000 1.992923E-20 7.535076E-21 2.932970E-21 1.413067E-21 3.523287E-22 0.000000E+00 0.000000E+00\nHKET_RACM2 EQY 250.000 6.500000E-01 6.500000E-01 6.500000E-01 6.500000E-01 6.500000E-01 0.000000E+00 0.000000E+00\nHKET_RACM2 CS 270.000 1.992923E-20 7.535076E-21 2.932970E-21 1.413067E-21 3.523287E-22 0.000000E+00 0.000000E+00\nHKET_RACM2 EQY 270.000 6.500000E-01 6.500000E-01 6.500000E-01 6.500000E-01 6.500000E-01 0.000000E+00 0.000000E+00\nHKET_RACM2 CS 290.000 1.992923E-20 7.535076E-21 2.932970E-21 1.413067E-21 3.523287E-22 0.000000E+00 0.000000E+00\nHKET_RACM2 EQY 290.000 6.500000E-01 6.500000E-01 6.500000E-01 6.500000E-01 6.500000E-01 0.000000E+00 0.000000E+00\nHKET_RACM2 CS 310.000 1.992923E-20 7.535076E-21 2.932970E-21 1.413067E-21 3.523287E-22 0.000000E+00 0.000000E+00\nHKET_RACM2 EQY 310.000 6.500000E-01 6.500000E-01 6.500000E-01 6.500000E-01 6.500000E-01 0.000000E+00 0.000000E+00\nMACR_RACM2 CS 210.000 2.653810E-20 3.941266E-20 4.989643E-20 5.893396E-20 6.529031E-20 1.389067E-20 0.000000E+00\nMACR_RACM2 EQY 210.000 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 0.000000E+00\nMACR_RACM2 CS 230.000 2.653810E-20 3.941266E-20 4.989643E-20 5.893396E-20 6.529031E-20 1.389067E-20 0.000000E+00\nMACR_RACM2 EQY 230.000 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 0.000000E+00\nMACR_RACM2 CS 250.000 2.653810E-20 3.941266E-20 4.989643E-20 5.893396E-20 6.529031E-20 1.389067E-20 0.000000E+00\nMACR_RACM2 EQY 250.000 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 0.000000E+00\nMACR_RACM2 CS 270.000 2.653810E-20 3.941266E-20 4.989643E-20 5.893396E-20 6.529031E-20 1.389067E-20 0.000000E+00\nMACR_RACM2 EQY 270.000 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 0.000000E+00\nMACR_RACM2 CS 290.000 2.653810E-20 3.941266E-20 4.989643E-20 5.893396E-20 6.529031E-20 1.389067E-20 0.000000E+00\nMACR_RACM2 EQY 290.000 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 0.000000E+00\nMACR_RACM2 CS 310.000 2.653810E-20 3.941266E-20 4.989643E-20 5.893396E-20 6.529031E-20 1.389067E-20 0.000000E+00\nMACR_RACM2 EQY 310.000 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 8.015506E-03 0.000000E+00\nMVK_RACM2 CS 210.000 3.026195E-20 4.372470E-20 5.436504E-20 6.304111E-20 6.815623E-20 1.494179E-20 0.000000E+00\nMVK_RACM2 EQY 210.000 1.750145E-02 1.106229E-02 7.572843E-03 5.008090E-03 2.251655E-03 4.698719E-04 0.000000E+00\nMVK_RACM2 CS 230.000 3.026195E-20 4.372470E-20 5.436504E-20 6.304111E-20 6.815623E-20 1.494179E-20 0.000000E+00\nMVK_RACM2 EQY 230.000 1.750145E-02 1.106229E-02 7.572843E-03 5.008090E-03 2.251655E-03 4.698719E-04 0.000000E+00\nMVK_RACM2 CS 250.000 3.026195E-20 4.372470E-20 5.436504E-20 6.304111E-20 6.815623E-20 1.494179E-20 0.000000E+00\nMVK_RACM2 EQY 250.000 1.750145E-02 1.106229E-02 7.572843E-03 5.008090E-03 2.251655E-03 4.698719E-04 0.000000E+00\nMVK_RACM2 CS 270.000 3.026195E-20 4.372470E-20 5.436504E-20 6.304111E-20 6.815623E-20 1.494179E-20 0.000000E+00\nMVK_RACM2 EQY 270.000 1.750145E-02 1.106229E-02 7.572843E-03 5.008090E-03 2.251655E-03 4.698719E-04 0.000000E+00\nMVK_RACM2 CS 290.000 3.026195E-20 4.372470E-20 5.436504E-20 6.304111E-20 6.815623E-20 1.494179E-20 0.000000E+00\nMVK_RACM2 EQY 290.000 1.750145E-02 1.106229E-02 7.572843E-03 5.008090E-03 2.251655E-03 4.698719E-04 0.000000E+00\nMVK_RACM2 CS 310.000 3.026195E-20 4.372470E-20 5.436504E-20 6.304111E-20 6.815623E-20 1.494179E-20 0.000000E+00\nMVK_RACM2 EQY 310.000 1.750145E-02 1.106229E-02 7.572843E-03 5.008090E-03 2.251655E-03 4.698719E-04 0.000000E+00\nGLYH2_RACM2 CS 210.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYH2_RACM2 EQY 210.000 2.083945E-01 1.741676E-01 1.458094E-01 1.226219E-01 7.896682E-02 4.675626E-04 0.000000E+00\nGLYH2_RACM2 CS 230.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYH2_RACM2 EQY 230.000 2.083945E-01 1.741676E-01 1.458094E-01 1.226219E-01 7.896682E-02 4.675626E-04 0.000000E+00\nGLYH2_RACM2 CS 250.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYH2_RACM2 EQY 250.000 2.083945E-01 1.741676E-01 1.458094E-01 1.226219E-01 7.896682E-02 4.675626E-04 0.000000E+00\nGLYH2_RACM2 CS 270.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYH2_RACM2 EQY 270.000 2.083945E-01 1.741676E-01 1.458094E-01 1.226219E-01 7.896682E-02 4.675626E-04 0.000000E+00\nGLYH2_RACM2 CS 290.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYH2_RACM2 EQY 290.000 2.083945E-01 1.741676E-01 1.458094E-01 1.226219E-01 7.896682E-02 4.675626E-04 0.000000E+00\nGLYH2_RACM2 CS 310.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYH2_RACM2 EQY 310.000 2.083945E-01 1.741676E-01 1.458094E-01 1.226219E-01 7.896682E-02 4.675626E-04 0.000000E+00\nGLYF_RACM2 CS 210.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYF_RACM2 EQY 210.000 4.492523E-01 4.582704E-01 4.575158E-01 4.464855E-01 3.643574E-01 9.914810E-03 6.082142E-05\nGLYF_RACM2 CS 230.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYF_RACM2 EQY 230.000 4.492523E-01 4.582704E-01 4.575158E-01 4.464855E-01 3.643574E-01 9.914810E-03 6.082142E-05\nGLYF_RACM2 CS 250.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYF_RACM2 EQY 250.000 4.492523E-01 4.582704E-01 4.575158E-01 4.464855E-01 3.643574E-01 9.914810E-03 6.082142E-05\nGLYF_RACM2 CS 270.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYF_RACM2 EQY 270.000 4.492523E-01 4.582704E-01 4.575158E-01 4.464855E-01 3.643574E-01 9.914810E-03 6.082142E-05\nGLYF_RACM2 CS 290.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYF_RACM2 EQY 290.000 4.492523E-01 4.582704E-01 4.575158E-01 4.464855E-01 3.643574E-01 9.914810E-03 6.082142E-05\nGLYF_RACM2 CS 310.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYF_RACM2 EQY 310.000 4.492523E-01 4.582704E-01 4.575158E-01 4.464855E-01 3.643574E-01 9.914810E-03 6.082142E-05\nGLYHX_RACM2 CS 210.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYHX_RACM2 EQY 210.000 3.424615E-01 3.676233E-01 3.968463E-01 4.307733E-01 5.451978E-01 6.424549E-02 3.251833E-03\nGLYHX_RACM2 CS 230.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYHX_RACM2 EQY 230.000 3.424615E-01 3.676233E-01 3.968463E-01 4.307733E-01 5.451978E-01 6.424549E-02 3.251833E-03\nGLYHX_RACM2 CS 250.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYHX_RACM2 EQY 250.000 3.424615E-01 3.676233E-01 3.968463E-01 4.307733E-01 5.451978E-01 6.424549E-02 3.251833E-03\nGLYHX_RACM2 CS 270.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYHX_RACM2 EQY 270.000 3.424615E-01 3.676233E-01 3.968463E-01 4.307733E-01 5.451978E-01 6.424549E-02 3.251833E-03\nGLYHX_RACM2 CS 290.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYHX_RACM2 EQY 290.000 3.424615E-01 3.676233E-01 3.968463E-01 4.307733E-01 5.451978E-01 6.424549E-02 3.251833E-03\nGLYHX_RACM2 CS 310.000 3.772546E-20 3.537579E-20 3.193592E-20 2.608503E-20 1.125923E-20 2.667804E-20 1.453960E-20\nGLYHX_RACM2 EQY 310.000 3.424615E-01 3.676233E-01 3.968463E-01 4.307733E-01 5.451978E-01 6.424549E-02 3.251833E-03\nMGLY_RACM2 CS 210.000 4.369065E-20 3.468163E-20 2.431083E-20 1.791723E-20 6.182988E-21 3.703444E-20 7.886681E-21\nMGLY_RACM2 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 6.094060E-01 1.339466E-01\nMGLY_RACM2 CS 230.000 4.369065E-20 3.468163E-20 2.431083E-20 1.791723E-20 6.182988E-21 3.703444E-20 7.886681E-21\nMGLY_RACM2 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 6.094060E-01 1.339466E-01\nMGLY_RACM2 CS 250.000 4.369065E-20 3.468163E-20 2.431083E-20 1.791723E-20 6.182988E-21 3.703444E-20 7.886681E-21\nMGLY_RACM2 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 6.094060E-01 1.339466E-01\nMGLY_RACM2 CS 270.000 4.369065E-20 3.468163E-20 2.431083E-20 1.791723E-20 6.182988E-21 3.703444E-20 7.886681E-21\nMGLY_RACM2 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 6.094060E-01 1.339466E-01\nMGLY_RACM2 CS 290.000 4.369065E-20 3.468163E-20 2.431083E-20 1.791723E-20 6.182988E-21 3.703444E-20 7.886681E-21\nMGLY_RACM2 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 6.094060E-01 1.339466E-01\nMGLY_RACM2 CS 310.000 4.369065E-20 3.468163E-20 2.431083E-20 1.791723E-20 6.182988E-21 3.703444E-20 7.886681E-21\nMGLY_RACM2 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 6.094060E-01 1.339466E-01\nBALD_RACM2 CS 210.000 4.785295E-19 7.446018E-20 7.090561E-20 8.511820E-20 9.190661E-20 1.652288E-20 0.000000E+00\nBALD_RACM2 EQY 210.000 6.000000E-02 6.000000E-02 6.000000E-02 6.000000E-02 6.000000E-02 5.654883E-02 0.000000E+00\nBALD_RACM2 CS 230.000 4.785295E-19 7.446018E-20 7.090561E-20 8.511820E-20 9.190661E-20 1.652288E-20 0.000000E+00\nBALD_RACM2 EQY 230.000 6.000000E-02 6.000000E-02 6.000000E-02 6.000000E-02 6.000000E-02 5.654883E-02 0.000000E+00\nBALD_RACM2 CS 250.000 4.785295E-19 7.446018E-20 7.090561E-20 8.511820E-20 9.190661E-20 1.652288E-20 0.000000E+00\nBALD_RACM2 EQY 250.000 6.000000E-02 6.000000E-02 6.000000E-02 6.000000E-02 6.000000E-02 5.654883E-02 0.000000E+00\nBALD_RACM2 CS 270.000 4.785295E-19 7.446018E-20 7.090561E-20 8.511820E-20 9.190661E-20 1.652288E-20 0.000000E+00\nBALD_RACM2 EQY 270.000 6.000000E-02 6.000000E-02 6.000000E-02 6.000000E-02 6.000000E-02 5.654883E-02 0.000000E+00\nBALD_RACM2 CS 290.000 4.785295E-19 7.446018E-20 7.090561E-20 8.511820E-20 9.190661E-20 1.652288E-20 0.000000E+00\nBALD_RACM2 EQY 290.000 6.000000E-02 6.000000E-02 6.000000E-02 6.000000E-02 6.000000E-02 5.654883E-02 0.000000E+00\nBALD_RACM2 CS 310.000 4.785295E-19 7.446018E-20 7.090561E-20 8.511820E-20 9.190661E-20 1.652288E-20 0.000000E+00\nBALD_RACM2 EQY 310.000 6.000000E-02 6.000000E-02 6.000000E-02 6.000000E-02 6.000000E-02 5.654883E-02 0.000000E+00\nOP1_RACM2 CS 210.000 5.502859E-21 3.521580E-21 2.407395E-21 1.698535E-21 7.264998E-22 4.583933E-23 0.000000E+00\nOP1_RACM2 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nOP1_RACM2 CS 230.000 5.502859E-21 3.521580E-21 2.407395E-21 1.698535E-21 7.264998E-22 4.583933E-23 0.000000E+00\nOP1_RACM2 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nOP1_RACM2 CS 250.000 5.502859E-21 3.521580E-21 2.407395E-21 1.698535E-21 7.264998E-22 4.583933E-23 0.000000E+00\nOP1_RACM2 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nOP1_RACM2 CS 270.000 5.502859E-21 3.521580E-21 2.407395E-21 1.698535E-21 7.264998E-22 4.583933E-23 0.000000E+00\nOP1_RACM2 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nOP1_RACM2 CS 290.000 5.502859E-21 3.521580E-21 2.407395E-21 1.698535E-21 7.264998E-22 4.583933E-23 0.000000E+00\nOP1_RACM2 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nOP1_RACM2 CS 310.000 5.502859E-21 3.521580E-21 2.407395E-21 1.698535E-21 7.264998E-22 4.583933E-23 0.000000E+00\nOP1_RACM2 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nPAA_RACM2 CS 210.000 1.925838E-21 1.009150E-21 5.907156E-22 3.670602E-22 1.041377E-22 0.000000E+00 0.000000E+00\nPAA_RACM2 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nPAA_RACM2 CS 230.000 1.925838E-21 1.009150E-21 5.907156E-22 3.670602E-22 1.041377E-22 0.000000E+00 0.000000E+00\nPAA_RACM2 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nPAA_RACM2 CS 250.000 1.925838E-21 1.009150E-21 5.907156E-22 3.670602E-22 1.041377E-22 0.000000E+00 0.000000E+00\nPAA_RACM2 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nPAA_RACM2 CS 270.000 1.925838E-21 1.009150E-21 5.907156E-22 3.670602E-22 1.041377E-22 0.000000E+00 0.000000E+00\nPAA_RACM2 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nPAA_RACM2 CS 290.000 1.925838E-21 1.009150E-21 5.907156E-22 3.670602E-22 1.041377E-22 0.000000E+00 0.000000E+00\nPAA_RACM2 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nPAA_RACM2 CS 310.000 1.925838E-21 1.009150E-21 5.907156E-22 3.670602E-22 1.041377E-22 0.000000E+00 0.000000E+00\nPAA_RACM2 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nONIT_RACM2 CS 210.000 9.713560E-21 4.546408E-21 2.120818E-21 9.214405E-22 1.152105E-22 1.219897E-24 0.000000E+00\nONIT_RACM2 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nONIT_RACM2 CS 230.000 9.713560E-21 4.546408E-21 2.120818E-21 9.214405E-22 1.152105E-22 1.219897E-24 0.000000E+00\nONIT_RACM2 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nONIT_RACM2 CS 250.000 1.018927E-20 4.819206E-21 2.272045E-21 1.003918E-21 1.288490E-22 1.219897E-24 0.000000E+00\nONIT_RACM2 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nONIT_RACM2 CS 270.000 1.121172E-20 5.414893E-21 2.607618E-21 1.191682E-21 1.611607E-22 1.219897E-24 0.000000E+00\nONIT_RACM2 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nONIT_RACM2 CS 290.000 1.233676E-20 6.084210E-21 2.992754E-21 1.414564E-21 2.015753E-22 1.219897E-24 0.000000E+00\nONIT_RACM2 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nONIT_RACM2 CS 310.000 1.357470E-20 6.836260E-21 3.434773E-21 1.679132E-21 2.521246E-22 1.219897E-24 0.000000E+00\nONIT_RACM2 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nPAN1_RACM2 CS 210.000 1.768018E-21 6.646887E-22 3.009928E-22 1.566195E-22 3.492933E-23 1.494937E-24 0.000000E+00\nPAN1_RACM2 EQY 210.000 8.000000E-01 8.000000E-01 6.922216E-01 6.000000E-01 6.000000E-01 6.000000E-01 0.000000E+00\nPAN1_RACM2 CS 230.000 2.071785E-21 7.907078E-22 3.614192E-22 1.899570E-22 4.384918E-23 1.511154E-24 0.000000E+00\nPAN1_RACM2 EQY 230.000 8.000000E-01 8.000000E-01 6.922216E-01 6.000000E-01 6.000000E-01 6.000000E-01 0.000000E+00\nPAN1_RACM2 CS 250.000 2.427744E-21 9.406189E-22 4.339766E-22 2.303907E-22 5.504689E-23 1.527546E-24 0.000000E+00\nPAN1_RACM2 EQY 250.000 8.000000E-01 8.000000E-01 6.922216E-01 6.000000E-01 6.000000E-01 6.000000E-01 0.000000E+00\nPAN1_RACM2 CS 270.000 2.844861E-21 1.118952E-21 5.211004E-22 2.794310E-22 6.910414E-23 1.544117E-24 0.000000E+00\nPAN1_RACM2 EQY 270.000 8.000000E-01 8.000000E-01 6.922216E-01 6.000000E-01 6.000000E-01 6.000000E-01 0.000000E+00\nPAN1_RACM2 CS 290.000 3.333644E-21 1.331095E-21 6.257149E-22 3.389099E-22 8.675118E-23 1.560867E-24 0.000000E+00\nPAN1_RACM2 EQY 290.000 8.000000E-01 8.000000E-01 6.922216E-01 6.000000E-01 6.000000E-01 6.000000E-01 0.000000E+00\nPAN1_RACM2 CS 310.000 3.906406E-21 1.583459E-21 7.513316E-22 4.110492E-22 1.089047E-22 1.577798E-24 0.000000E+00\nPAN1_RACM2 EQY 310.000 8.000000E-01 8.000000E-01 6.922216E-01 6.000000E-01 6.000000E-01 6.000000E-01 0.000000E+00\nPAN2_RACM2 CS 210.000 1.768018E-21 6.646887E-22 3.009928E-22 1.566195E-22 3.492933E-23 1.494937E-24 0.000000E+00\nPAN2_RACM2 EQY 210.000 2.000000E-01 2.000000E-01 3.077784E-01 4.000000E-01 4.000000E-01 4.000000E-01 0.000000E+00\nPAN2_RACM2 CS 230.000 2.071785E-21 7.907078E-22 3.614192E-22 1.899570E-22 4.384918E-23 1.511154E-24 0.000000E+00\nPAN2_RACM2 EQY 230.000 2.000000E-01 2.000000E-01 3.077784E-01 4.000000E-01 4.000000E-01 4.000000E-01 0.000000E+00\nPAN2_RACM2 CS 250.000 2.427744E-21 9.406189E-22 4.339766E-22 2.303907E-22 5.504689E-23 1.527546E-24 0.000000E+00\nPAN2_RACM2 EQY 250.000 2.000000E-01 2.000000E-01 3.077784E-01 4.000000E-01 4.000000E-01 4.000000E-01 0.000000E+00\nPAN2_RACM2 CS 270.000 2.844861E-21 1.118952E-21 5.211004E-22 2.794310E-22 6.910414E-23 1.544117E-24 0.000000E+00\nPAN2_RACM2 EQY 270.000 2.000000E-01 2.000000E-01 3.077784E-01 4.000000E-01 4.000000E-01 4.000000E-01 0.000000E+00\nPAN2_RACM2 CS 290.000 3.333644E-21 1.331095E-21 6.257149E-22 3.389099E-22 8.675118E-23 1.560867E-24 0.000000E+00\nPAN2_RACM2 EQY 290.000 2.000000E-01 2.000000E-01 3.077784E-01 4.000000E-01 4.000000E-01 4.000000E-01 0.000000E+00\nPAN2_RACM2 CS 310.000 3.906406E-21 1.583459E-21 7.513316E-22 4.110492E-22 1.089047E-22 1.577798E-24 0.000000E+00\nPAN2_RACM2 EQY 310.000 2.000000E-01 2.000000E-01 3.077784E-01 4.000000E-01 4.000000E-01 4.000000E-01 0.000000E+00\n! Ozone Cross-Section for Stratospheric Opacity based on Table 4-5 in\n! Chemical Kinetics and Photochemical Data for Use in Atmospheric\n! Studies Evaluation Number 15. Sander et. al: NASA-JPL 2006 \nNTEMP_STRAT = 6\n! QUANTITY TEMP WBIN( 1) WBIN( 2) WBIN( 3) WBIN( 4) WBIN( 5) WBIN( 6) WBIN( 7)\nO3_STRAT CS 180.000 6.113743E-19 2.263004E-19 8.354117E-20 3.417408E-20 3.688351E-21 4.086261E-23 1.663175E-21\nO3_STRAT CS 260.000 6.434133E-19 2.434104E-19 9.254548E-20 3.928807E-20 4.583227E-21 4.086261E-23 1.663175E-21\nO3_STRAT CS 300.000 6.685868E-19 2.568540E-19 9.962031E-20 4.330621E-20 5.286344E-21 4.086261E-23 1.663175E-21\nO3_STRAT CS 340.000 6.685868E-19 2.568540E-19 9.962031E-20 4.330621E-20 5.286344E-21 4.086261E-23 1.663175E-21\nO3_STRAT CS 380.000 6.685868E-19 2.568540E-19 9.962031E-20 4.330621E-20 5.286344E-21 4.086261E-23 1.663175E-21\nO3_STRAT CS 420.000 6.685868E-19 2.568540E-19 9.962031E-20 4.330621E-20 5.286344E-21 4.086261E-23 1.663175E-21\n" }, { "path": "CCTM/src/MECHS/racm2_ae6_aq/GC_racm2_ae6_aq.nml", "content": "&GC_nml\n\nGC_SPECIES_DATA = \n\n!SPECIES ,MOLWT ,IC ,IC_FAC ,BC ,BC_FAC ,DRYDEP SURR ,FAC ,WET-SCAV SURR ,FAC ,GC2AE SURR ,GC2AQ SURR,TRNS ,DDEP ,WDEP ,CONC\n'O3' , 48.0 ,'' ,-1 ,'' ,-1 ,'VD_O3' , 1 ,'O3' , 1 ,'' ,'O3' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'O3P' , 16.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'O1D' , 16.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'H2O2' , 34.0 ,'' ,-1 ,'' ,-1 ,'VD_H2O2' , 1 ,'H2O2' , 1 ,'' ,'H2O2' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'HO' , 17.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'OH' ,'HO' ,'' ,'' ,'' ,'Yes',\n'NO2' , 46.0 ,'' ,-1 ,'' ,-1 ,'VD_NO2' , 1 ,'NO2' , 1 ,'NO2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'NO' , 30.0 ,'' ,-1 ,'' ,-1 ,'VD_NO' , 1 ,'NO' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'NO3' , 62.0 ,'' ,-1 ,'' ,-1 ,'VD_NO3' , 1 ,'NO3' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'HONO' , 47.0 ,'' ,-1 ,'' ,-1 ,'VD_HONO' , 1 ,'HNO2' , 1 ,'HONO' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'HNO3' , 63.0 ,'' ,-1 ,'' ,-1 ,'VD_HNO3' , 1 ,'HNO3' , 1 ,'HNO3' ,'HNO3' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'HNO4' , 79.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'HNO4' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'HO2' , 33.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'HCHO' , 30.0 ,'' ,-1 ,'' ,-1 ,'VD_HCHO' , 1 ,'FORMALDEHYDE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'CO' , 28.0 ,'' ,-1 ,'' ,-1 ,'VD_CO' , 1 ,'CO' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ACD' , 44.0 ,'' ,-1 ,'' ,-1 ,'VD_ALD' , 1 ,'ACETALDEHYDE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'MO2' , 47.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'ALD' , 58.0 ,'' ,-1 ,'' ,-1 ,'VD_GEN_ALD' , 1 ,'GENERIC_ALDEHYDE', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ETHP' , 61.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'ACT' , 58.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'ACETONE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'ACO3' , 75.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'UALD' , 84.0 ,'' ,-1 ,'' ,-1 ,'VD_GEN_ALD' , 1 ,'GENERIC_ALDEHYDE', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'KET' , 86.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'DIETHYLKETONE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'MEK' , 72.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'MEK' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'HKET' , 74.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'HYDROXY-ACETONE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'MACR' , 70.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'METHACROLEIN' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'MACP' ,101.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'XO2' , 1.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'MVK' , 70.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'MVK' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'GLY' , 58.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'GLYOXAL' , 1 ,'' ,'GLY' ,'Yes' ,'' ,'Yes' ,'Yes',\n'MGLY' , 72.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'METHYL_GLYOXAL' , 1 ,'' ,'MGLY' ,'Yes' ,'' ,'Yes' ,'Yes',\n'DCB1' , 91.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'METHACROLEIN' , 1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'DCB2' ,110.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'METHACROLEIN' , 1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'BALD' ,106.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'BENZALDEHYDE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'CHO' ,139.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'OP1' , 48.0 ,'' ,-1 ,'' ,-1 ,'VD_OP' , 1 ,'METHYLHYDROPEROX', 1 ,'' ,'MHP' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'OP2' , 62.0 ,'' ,-1 ,'' ,-1 ,'VD_OP' , 1 ,'METHYLHYDROPEROX', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'PAA' , 76.0 ,'' ,-1 ,'' ,-1 ,'VD_PAA' , 1 ,'PEROXYACETIC_ACI', 1 ,'' ,'PAA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ONIT' ,119.0 ,'' ,-1 ,'' ,-1 ,'VD_PAN' , 1 ,'MPAN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'PAN' ,121.0 ,'' ,-1 ,'' ,-1 ,'VD_PAN' , 1 ,'PAN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'N2O5' ,108.0 ,'' ,-1 ,'' ,-1 ,'VD_N2O5' , 1 ,'N2O5' , 1 ,'N2O5' ,'N2O5' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SO2' , 64.0 ,'' ,-1 ,'' ,-1 ,'VD_SO2' , 1 ,'SO2' , 1 ,'' ,'SO2' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SULF' , 98.0 ,'' ,-1 ,'' ,-1 ,'VD_SULF' , 1 ,'H2SO4' , 1 ,'SULF' ,'H2SO4' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SULRXN' , 98.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'SULPRD' ,'' ,'' ,'' ,'' ,'' ,\n'ETH' , 30.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'ETHANE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'HC3' , 44.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'PROPANE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'HC3P' , 75.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'HC5' , 72.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'PENTANE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'HC5P' ,103.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'HC8' ,114.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'OCTANE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'HC8P' ,145.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'ETE' , 28.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'ETHENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'ETEP' , 77.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'OLT' , 42.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'ETHENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'OLTP' , 91.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'OLI' , 68.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'ETHENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'OLIP' ,117.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'DIEN' , 54.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'13-BUTADIENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'ACE' , 26.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'ACETYLENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'ORA1' , 46.0 ,'' ,-1 ,'' ,-1 ,'VD_ORA' , 1 ,'FORMIC_ACID' , 1 ,'' ,'FOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'BENZENE' , 78.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'BENZENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'BENP' ,127.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'EPX' ,122.5 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'MEK' , 1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'PHEN' , 94.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'PHENOL' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'BENZRO2' ,127.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'TOL' , 92.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'TOLUENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'TR2' ,109.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'TLP1' , 91.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'CSL' ,108.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'2-CRESOL' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'TOLRO2' ,141.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'XYM' ,106.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'M-XYLENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'XY2' ,124.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'XYL1' ,156.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'XYLRO2' ,155.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'XYP' ,106.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'P-XYLENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'XYO' ,106.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'O-XYLENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'XYO2' ,155.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'ISO' , 68.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'ISOPRENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'ISOP' ,117.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'ISOPRXN' , 68.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'ISOPRXN' ,'' ,'' ,'' ,'' ,'' ,\n'API' ,136.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'PINENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'APIP' ,185.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'TRPRXN' ,136.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'TRPRXN' ,'' ,'' ,'' ,'' ,'' ,\n'LIM' ,136.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'PINENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'LIMP' ,185.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'RCO3' , 90.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'ACTP' , 89.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'MEKP' ,103.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'KETP' ,117.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'MCP' ,119.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'MVKP' ,119.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'UALP' ,133.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'DCB3' , 84.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'METHACROLEIN' , 1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'BALP' ,137.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'ADDC' ,125.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'MCT' ,124.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'PYROCATECHOL' , 1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'MCTO' ,123.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'MOH' , 32.0 ,'' ,-1 ,'' ,-1 ,'VD_METHANOL' , 1 ,'METHANOL' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'EOH' , 46.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'ETHANOL' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'ROH' , 60.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'N-PROPANOL' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'ETEG' , 62.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'ETHYLENEGLYCOL' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'ISHP' ,118.0 ,'' ,-1 ,'' ,-1 ,'VD_OP' , 1 ,'METHACROLEIN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'IEPOX' ,118.1 ,'' ,-1 ,'' ,-1 ,'VD_OP' ,1.5 ,'HYDROXY_PEROXIDE', 1 ,'IEPOX' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'MAHP' ,102.0 ,'' ,-1 ,'' ,-1 ,'VD_OP' , 1 ,'METHACROLEIN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ORA2' , 60.0 ,'' ,-1 ,'' ,-1 ,'VD_ORA' , 1 ,'ACETIC_ACID' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ORAP' ,109.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'PPN' ,135.0 ,'' ,-1 ,'' ,-1 ,'VD_PAN' , 1 ,'PPN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'MPAN' ,148.0 ,'' ,-1 ,'' ,-1 ,'VD_PAN' , 1 ,'MPAN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'NALD' ,105.0 ,'' ,-1 ,'' ,-1 ,'VD_PAN' , 1 ,'2NITRO_1BUTNL' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ISON' ,147.0 ,'' ,-1 ,'' ,-1 ,'VD_PAN' , 1 ,'2NITRO_1BUTNL' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'MCTP' ,172.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'OLNN' ,136.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'OLND' ,136.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'ADCN' ,156.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'TOLP' ,141.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'PER1' ,141.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'XYLP' ,155.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'PER2' ,157.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'XYOP' ,155.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'BAL1' ,121.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'BAL2' ,105.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'TOLNRXN' ,141.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'TOLNRXN' ,'' ,'' ,'' ,'' ,'' ,\n'TOLHRXN' ,141.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'TOLHRXN' ,'' ,'' ,'' ,'' ,'' ,\n'XYLNRXN' ,155.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'XYLNRXN' ,'' ,'' ,'' ,'' ,'' ,\n'XYLHRXN' ,155.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'XYLHRXN' ,'' ,'' ,'' ,'' ,'' ,\n'BNZNRXN' ,127.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'BNZNRXN' ,'' ,'' ,'' ,'' ,'' ,\n'BNZHRXN' ,127.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'BNZHRXN' ,'' ,'' ,'' ,'' ,'' ,\n'SESQ' ,204.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'PINENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'SESQRXN' ,204.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'SESQRXN' ,'' ,'' ,'' ,'' ,'' ,\n'NAPH' ,128.2 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'O-XYLENE' , 1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'PAHRO2' ,187.2 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'PAHNRXN' ,187.2 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'PAHNRXN' ,'' ,'' ,'' ,'' ,'' ,\n'PAHHRXN' ,187.2 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'PAHHRXN' ,'' ,'' ,'' ,'' ,'' ,\n'SOAALK' ,112.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'DECANE' , 1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'ALKRXN' ,112.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'ALKRXN' ,'' ,'' ,'' ,'' ,'' ,\n'VLVPO1' ,218.0 ,'' ,-1 ,'' ,-1 ,'VD_ORA' , 1 ,'ADIPIC_ACID' , 1 ,'VLVPO1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VSVPO1' ,230.0 ,'' ,-1 ,'' ,-1 ,'VD_ORA' , 1 ,'ADIPIC_ACID' , 1 ,'VSVPO1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VSVPO2' ,241.0 ,'' ,-1 ,'' ,-1 ,'VD_ORA' , 1 ,'ADIPIC_ACID' , 1 ,'VSVPO2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VSVPO3' ,253.0 ,'' ,-1 ,'' ,-1 ,'VD_ORA' , 1 ,'ADIPIC_ACID' , 1 ,'VSVPO3' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VIVPO1' ,266.0 ,'' ,-1 ,'' ,-1 ,'VD_ORA' , 1 ,'ADIPIC_ACID' , 1 ,'VIVPO1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VLVOO1' ,136.0 ,'' ,-1 ,'' ,-1 ,'VD_ORA' , 1 ,'ADIPIC_ACID' , 1 ,'VLVOO1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VLVOO2' ,136.0 ,'' ,-1 ,'' ,-1 ,'VD_ORA' , 1 ,'ADIPIC_ACID' , 1 ,'VLVOO2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VSVOO1' ,135.0 ,'' ,-1 ,'' ,-1 ,'VD_ORA' , 1 ,'ADIPIC_ACID' , 1 ,'VSVOO1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VSVOO2' ,135.0 ,'' ,-1 ,'' ,-1 ,'VD_ORA' , 1 ,'ADIPIC_ACID' , 1 ,'VSVOO2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VSVOO3' ,134.0 ,'' ,-1 ,'' ,-1 ,'VD_ORA' , 1 ,'ADIPIC_ACID' , 1 ,'VSVOO3' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'PCVOC' ,170.0 ,'' ,-1 ,'' ,-1 ,'VD_GEN_ALD' , 1 ,'GENERIC_ALDEHYDE', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'PCSOARXN' ,170.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'PCSOARXN' ,'' ,'' ,'' ,'' ,'' , \n/\n" }, { "path": "CCTM/src/MECHS/racm2_ae6_aq/NR_racm2_ae6_aq.nml", "content": "&NR_nml\n\nNR_SPECIES_DATA = \n\n!SPECIES ,MOLWT ,IC ,IC_FAC ,BC ,BC_FAC ,DRYDEP SURR ,FAC ,WET-SCAV SURR ,FAC ,NR2AE SURR ,NR2AQ SURR,TRNS ,DDEP ,WDEP ,CONC\n'NH3' , 17.0 ,'' ,-1 ,'' ,-1 ,'VD_NH3' , 1 ,'NH3' , 1 ,'NH3' ,'NH3' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'HCL' , 36.0 ,'' ,-1 ,'' ,-1 ,'VD_HCL' , 1 ,'HCL' , 1 ,'HCL' ,'HCL' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVALK1' ,225.0 ,'' ,-1 ,'' ,-1 ,'VD_SVALK1' , 1 ,'SVALK1' , 1 ,'SVALK1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVALK2' ,205.1 ,'' ,-1 ,'' ,-1 ,'VD_SVALK2' , 1 ,'SVALK2' , 1 ,'SVALK2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVXYL1' ,174.0 ,'' ,-1 ,'' ,-1 ,'VD_SVXYL1' , 1 ,'SVXYL1' , 1 ,'SVXYL1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVXYL2' ,185.0 ,'' ,-1 ,'' ,-1 ,'VD_SVXYL2' , 1 ,'SVXYL2' , 1 ,'SVXYL2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVTOL1' ,163.0 ,'' ,-1 ,'' ,-1 ,'VD_SVTOL1' , 1 ,'SVTOL1' , 1 ,'SVTOL1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVTOL2' ,175.0 ,'' ,-1 ,'' ,-1 ,'VD_SVTOL2' , 1 ,'SVTOL2' , 1 ,'SVTOL2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVBNZ1' ,161.0 ,'' ,-1 ,'' ,-1 ,'VD_SVBNZ1' , 1 ,'SVBNZ1' , 1 ,'SVBNZ1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVBNZ2' ,134.0 ,'' ,-1 ,'' ,-1 ,'VD_SVBNZ2' , 1 ,'SVBNZ2' , 1 ,'SVBNZ2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVPAH1' ,195.6 ,'' ,-1 ,'' ,-1 ,'VD_SVPAH1' , 1 ,'SVPAH1' , 1 ,'SVPAH1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVPAH2' ,178.7 ,'' ,-1 ,'' ,-1 ,'VD_SVPAH2' , 1 ,'SVPAH2' , 1 ,'SVPAH2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVTRP1' ,177.0 ,'' ,-1 ,'' ,-1 ,'VD_SVTRP1' , 1 ,'SVTRP1' , 1 ,'SVTRP1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVTRP2' ,198.0 ,'' ,-1 ,'' ,-1 ,'VD_SVTRP2' , 1 ,'SVTRP2' , 1 ,'SVTRP2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVISO1' ,132.0 ,'' ,-1 ,'' ,-1 ,'VD_SVISO1' , 1 ,'SVISO1' , 1 ,'SVISO1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVISO2' ,133.0 ,'' ,-1 ,'' ,-1 ,'VD_SVISO2' , 1 ,'SVISO2' , 1 ,'SVISO2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVSQT' ,273.0 ,'' ,-1 ,'' ,-1 ,'VD_SVSQT' , 1 ,'SVSQT' , 1 ,'SVSQT' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'LVPCSOG' ,170.0 ,'' ,-1 ,'' ,-1 ,'VD_LVPCSOG' , 1 ,'ADIPIC_ACID' , 1 ,'LVPCSOG' ,'' ,'Yes' ,'' ,'' ,'Yes',\n/\n" }, { "path": "CCTM/src/MECHS/racm2_ae6_aq/RXNS_DATA_MODULE.F90", "content": " MODULE RXNS_DATA\n\n\n IMPLICIT NONE\n\n\n\n! --------- Photochemical Mechanism Reactions, Rates, etc. DAT ---------\n! Source file: /home/bmurphy/cmaq_projects/bicicle_1.7/UTIL/chemmech/input/racm2_ae6_aq/mech_racm2_ae6_aq.def\n! for Mechanism Name: RACM2_AE6_AQ \n\n! This file is used to create mechanism data and functions\n\n! The following are reserved symbols declared in this file:\n! MECHNAME = Mechanism name\n! N_GAS_CHEM_SPC = Total number of gas species in chemical mechanism\n! NUMB_MECH_SPC = Total number of species in chemical mechanism\n! N_ACT_SP = Number of active (determined by ODE solver) species in mechanism\n! GAS_CHEM_SPC = Names of gas species in chemical mechanism\n! CHEMISTRY_SPC = Names of species in chemical mechanism\n! CGRID_INDEX = CGRID Index of species in chemical mechanism\n! SPECIES_TYPE = Group or type of species \n! SPECIES_MOLWT = Molecular Weight of species (gm/mole)\n! NRXNS = Number of mechanism reactions\n! ZERO_REACT_REACTIONS = number zero reactant reactions\n! ONE_REACT_REACTIONS = number one reactant reactions\n! TWO_REACT_REACTIONS = number second order reactions\n! THREE_REACT_REACTIONS = number three reactant reactions\n! NSUNLIGHT_RXNS = Number of mechanism reactions requiring sunlight\n! NTHERMAL_RXNS = Number of mechanism reactions not requiring sunlight\n! KUNITS = Units of mechanism reactions\n! KTYPE = Reaction type\n! IRXBITS = Bit test mask vector for selected reactions\n! IORDER = Order of the reaction\n! NTERMS_JACOB = Maximum number of nonzero terms in day/night Jacobian\n! MSTEPS_JACOB = Maximum number of LU Decomposition steps to solve each Jacobian\n! KTN1 = Number of type 1 reactions\n! KRX1 = Reactions list pointer to type 1 reactions\n! KTN2 = Number of type 2 reactions\n! KRX2 = Reactions list pointer to type 2 reactions\n! KTN3 = Number of type 3 reactions\n! KRX3 = Reactions list pointer to type 3 reactions\n! KTN4 = Number of type 4 reactions\n! KRX4 = Reactions list pointer to type 4 reactions\n! KTN5 = Number of type 5 reactions\n! KRX5 = Reactions list pointer to type 5 reactions\n! KTN6 = Number of type 6 reactions\n! KRX6 = Reactions list pointer to type 6 reactions\n! KTN7 = Number of type 7 reactions\n! KRX7 = Reactions list pointer to type 7 reactions\n\n! NWM = Number of air 3-body reactions\n! NRXWM = Reactions list pointer to air 3-body reactions\n! ATM_AIR = air 3-body reactions concentration\n! NWW = Number of H2O 3-body reactions\n! NRXWW = Reactions list pointer to H2O 3-body reactions\n! NWO2 = Number of reactions with O2\n! NRXWO2 = Reactions list pointer to O2 reactions\n! ATM_O2 = Oxygen reactions concentration\n! NWN2 = Number of N2 3-body reactions\n! NRXWN2 = Reactions list pointer to N2 3-body reactions\n! ATM_N2 = Nitrogen 3-body reactions concentration\n! NWCH4 = Number of reactions with CH4\n! NRXWCH4 = Reactions list pointer to CH4 reactions\n! ATM_CH4 = Methane reactions concentration\n! NWH2 = Number of reactions with H2\n! NRXWH2 = Reactions list pointer to H2 reactions\n! ATM_H2 = Hydrogen reactions concentration\n\n! MXPRD = Maximum number of mechanism reaction products\n! IRR = Reactions list pointer to reactants and products\n! RTDAT = Kinetic reaction rates expressions components\n! NFALLOFFF = Number of falloff reactions\n! IRRFALL = Reactions list pointer to falloff reactions\n! RFDAT = Falloff reaction rates expressions components\n! SC = Stoichiometric coefficients\n! NREACT = Number of reactants in each mechanism reaction\n! NPRDCT = Number of products in each mechanism reaction\n! RXLABEL = Character label list for mechanism reactions\n! NMPHOT = Number of mechanism photolytic reactions\n! NPHOTAB = Number of photolytic reactions tables\n! IPH = Reactions list pointer to photolytic reactions and tables\n! MHETERO = Number of mechanism heteorogenous reactions\n! NHETERO = Number of unique heteorogenous rate constants\n! IHETERO = Reactions list pointer to heteorogenous reactions and tables\n\n CHARACTER( 32 ), PARAMETER :: MECHNAME = 'RACM2_AE6_AQ'\n\n INTEGER, PARAMETER :: N_GAS_CHEM_SPC = 146\n INTEGER, PARAMETER :: NUMB_MECH_SPC = 168\n\n CHARACTER( 16 ) :: GAS_CHEM_SPC( N_GAS_CHEM_SPC )\n CHARACTER( 16 ) :: CHEMISTRY_SPC( NUMB_MECH_SPC )\n CHARACTER( 16 ) :: SPECIES_TYPE( NUMB_MECH_SPC )\n INTEGER :: CGRID_INDEX ( NUMB_MECH_SPC )\n INTEGER :: TYPE_INDEX ( NUMB_MECH_SPC )\n REAL( 8 ) :: SPECIES_MOLWT( NUMB_MECH_SPC )\n LOGICAL :: CONVERT_CONC( NUMB_MECH_SPC )\n\n! The below character and integer arrays list the model species names used in the \n! chemical mechanism. The gas species and their order should agree with \n! the GC_SPC array for the gas phase chemistry to work correctly. \n! If present, the CHEMISTRY_SPC names and species type should agree with the CGRID_SPCS module\n\n DATA GAS_CHEM_SPC( 1 ) / 'O3 ' /\n DATA GAS_CHEM_SPC( 2 ) / 'O3P ' /\n DATA GAS_CHEM_SPC( 3 ) / 'O1D ' /\n DATA GAS_CHEM_SPC( 4 ) / 'H2O2 ' /\n DATA GAS_CHEM_SPC( 5 ) / 'HO ' /\n DATA GAS_CHEM_SPC( 6 ) / 'NO2 ' /\n DATA GAS_CHEM_SPC( 7 ) / 'NO ' /\n DATA GAS_CHEM_SPC( 8 ) / 'NO3 ' /\n DATA GAS_CHEM_SPC( 9 ) / 'HONO ' /\n DATA GAS_CHEM_SPC( 10 ) / 'HNO3 ' /\n DATA GAS_CHEM_SPC( 11 ) / 'HNO4 ' /\n DATA GAS_CHEM_SPC( 12 ) / 'HO2 ' /\n DATA GAS_CHEM_SPC( 13 ) / 'HCHO ' /\n DATA GAS_CHEM_SPC( 14 ) / 'CO ' /\n DATA GAS_CHEM_SPC( 15 ) / 'ACD ' /\n DATA GAS_CHEM_SPC( 16 ) / 'MO2 ' /\n DATA GAS_CHEM_SPC( 17 ) / 'ALD ' /\n DATA GAS_CHEM_SPC( 18 ) / 'ETHP ' /\n DATA GAS_CHEM_SPC( 19 ) / 'ACT ' /\n DATA GAS_CHEM_SPC( 20 ) / 'ACO3 ' /\n DATA GAS_CHEM_SPC( 21 ) / 'UALD ' /\n DATA GAS_CHEM_SPC( 22 ) / 'KET ' /\n DATA GAS_CHEM_SPC( 23 ) / 'MEK ' /\n DATA GAS_CHEM_SPC( 24 ) / 'HKET ' /\n DATA GAS_CHEM_SPC( 25 ) / 'MACR ' /\n DATA GAS_CHEM_SPC( 26 ) / 'MACP ' /\n DATA GAS_CHEM_SPC( 27 ) / 'XO2 ' /\n DATA GAS_CHEM_SPC( 28 ) / 'MVK ' /\n DATA GAS_CHEM_SPC( 29 ) / 'GLY ' /\n DATA GAS_CHEM_SPC( 30 ) / 'MGLY ' /\n DATA GAS_CHEM_SPC( 31 ) / 'DCB1 ' /\n DATA GAS_CHEM_SPC( 32 ) / 'DCB2 ' /\n DATA GAS_CHEM_SPC( 33 ) / 'BALD ' /\n DATA GAS_CHEM_SPC( 34 ) / 'CHO ' /\n DATA GAS_CHEM_SPC( 35 ) / 'OP1 ' /\n DATA GAS_CHEM_SPC( 36 ) / 'OP2 ' /\n DATA GAS_CHEM_SPC( 37 ) / 'PAA ' /\n DATA GAS_CHEM_SPC( 38 ) / 'ONIT ' /\n DATA GAS_CHEM_SPC( 39 ) / 'PAN ' /\n DATA GAS_CHEM_SPC( 40 ) / 'N2O5 ' /\n DATA GAS_CHEM_SPC( 41 ) / 'SO2 ' /\n DATA GAS_CHEM_SPC( 42 ) / 'SULF ' /\n DATA GAS_CHEM_SPC( 43 ) / 'SULRXN ' /\n DATA GAS_CHEM_SPC( 44 ) / 'ETH ' /\n DATA GAS_CHEM_SPC( 45 ) / 'HC3 ' /\n DATA GAS_CHEM_SPC( 46 ) / 'HC3P ' /\n DATA GAS_CHEM_SPC( 47 ) / 'HC5 ' /\n DATA GAS_CHEM_SPC( 48 ) / 'HC5P ' /\n DATA GAS_CHEM_SPC( 49 ) / 'HC8 ' /\n DATA GAS_CHEM_SPC( 50 ) / 'HC8P ' /\n DATA GAS_CHEM_SPC( 51 ) / 'ETE ' /\n DATA GAS_CHEM_SPC( 52 ) / 'ETEP ' /\n DATA GAS_CHEM_SPC( 53 ) / 'OLT ' /\n DATA GAS_CHEM_SPC( 54 ) / 'OLTP ' /\n DATA GAS_CHEM_SPC( 55 ) / 'OLI ' /\n DATA GAS_CHEM_SPC( 56 ) / 'OLIP ' /\n DATA GAS_CHEM_SPC( 57 ) / 'DIEN ' /\n DATA GAS_CHEM_SPC( 58 ) / 'ACE ' /\n DATA GAS_CHEM_SPC( 59 ) / 'ORA1 ' /\n DATA GAS_CHEM_SPC( 60 ) / 'BENZENE ' /\n DATA GAS_CHEM_SPC( 61 ) / 'BENP ' /\n DATA GAS_CHEM_SPC( 62 ) / 'EPX ' /\n DATA GAS_CHEM_SPC( 63 ) / 'PHEN ' /\n DATA GAS_CHEM_SPC( 64 ) / 'BENZRO2 ' /\n DATA GAS_CHEM_SPC( 65 ) / 'TOL ' /\n DATA GAS_CHEM_SPC( 66 ) / 'TR2 ' /\n DATA GAS_CHEM_SPC( 67 ) / 'TLP1 ' /\n DATA GAS_CHEM_SPC( 68 ) / 'CSL ' /\n DATA GAS_CHEM_SPC( 69 ) / 'TOLRO2 ' /\n DATA GAS_CHEM_SPC( 70 ) / 'XYM ' /\n DATA GAS_CHEM_SPC( 71 ) / 'XY2 ' /\n DATA GAS_CHEM_SPC( 72 ) / 'XYL1 ' /\n DATA GAS_CHEM_SPC( 73 ) / 'XYLRO2 ' /\n DATA GAS_CHEM_SPC( 74 ) / 'XYP ' /\n DATA GAS_CHEM_SPC( 75 ) / 'XYO ' /\n DATA GAS_CHEM_SPC( 76 ) / 'XYO2 ' /\n DATA GAS_CHEM_SPC( 77 ) / 'ISO ' /\n DATA GAS_CHEM_SPC( 78 ) / 'ISOP ' /\n DATA GAS_CHEM_SPC( 79 ) / 'ISOPRXN ' /\n DATA GAS_CHEM_SPC( 80 ) / 'API ' /\n DATA GAS_CHEM_SPC( 81 ) / 'APIP ' /\n DATA GAS_CHEM_SPC( 82 ) / 'TRPRXN ' /\n DATA GAS_CHEM_SPC( 83 ) / 'LIM ' /\n DATA GAS_CHEM_SPC( 84 ) / 'LIMP ' /\n DATA GAS_CHEM_SPC( 85 ) / 'RCO3 ' /\n DATA GAS_CHEM_SPC( 86 ) / 'ACTP ' /\n DATA GAS_CHEM_SPC( 87 ) / 'MEKP ' /\n DATA GAS_CHEM_SPC( 88 ) / 'KETP ' /\n DATA GAS_CHEM_SPC( 89 ) / 'MCP ' /\n DATA GAS_CHEM_SPC( 90 ) / 'MVKP ' /\n DATA GAS_CHEM_SPC( 91 ) / 'UALP ' /\n DATA GAS_CHEM_SPC( 92 ) / 'DCB3 ' /\n DATA GAS_CHEM_SPC( 93 ) / 'BALP ' /\n DATA GAS_CHEM_SPC( 94 ) / 'ADDC ' /\n DATA GAS_CHEM_SPC( 95 ) / 'MCT ' /\n DATA GAS_CHEM_SPC( 96 ) / 'MCTO ' /\n DATA GAS_CHEM_SPC( 97 ) / 'MOH ' /\n DATA GAS_CHEM_SPC( 98 ) / 'EOH ' /\n DATA GAS_CHEM_SPC( 99 ) / 'ROH ' /\n DATA GAS_CHEM_SPC( 100 ) / 'ETEG ' /\n DATA GAS_CHEM_SPC( 101 ) / 'ISHP ' /\n DATA GAS_CHEM_SPC( 102 ) / 'IEPOX ' /\n DATA GAS_CHEM_SPC( 103 ) / 'MAHP ' /\n DATA GAS_CHEM_SPC( 104 ) / 'ORA2 ' /\n DATA GAS_CHEM_SPC( 105 ) / 'ORAP ' /\n DATA GAS_CHEM_SPC( 106 ) / 'PPN ' /\n DATA GAS_CHEM_SPC( 107 ) / 'MPAN ' /\n DATA GAS_CHEM_SPC( 108 ) / 'NALD ' /\n DATA GAS_CHEM_SPC( 109 ) / 'ISON ' /\n DATA GAS_CHEM_SPC( 110 ) / 'MCTP ' /\n DATA GAS_CHEM_SPC( 111 ) / 'OLNN ' /\n DATA GAS_CHEM_SPC( 112 ) / 'OLND ' /\n DATA GAS_CHEM_SPC( 113 ) / 'ADCN ' /\n DATA GAS_CHEM_SPC( 114 ) / 'TOLP ' /\n DATA GAS_CHEM_SPC( 115 ) / 'PER1 ' /\n DATA GAS_CHEM_SPC( 116 ) / 'XYLP ' /\n DATA GAS_CHEM_SPC( 117 ) / 'PER2 ' /\n DATA GAS_CHEM_SPC( 118 ) / 'XYOP ' /\n DATA GAS_CHEM_SPC( 119 ) / 'BAL1 ' /\n DATA GAS_CHEM_SPC( 120 ) / 'BAL2 ' /\n DATA GAS_CHEM_SPC( 121 ) / 'TOLNRXN ' /\n DATA GAS_CHEM_SPC( 122 ) / 'TOLHRXN ' /\n DATA GAS_CHEM_SPC( 123 ) / 'XYLNRXN ' /\n DATA GAS_CHEM_SPC( 124 ) / 'XYLHRXN ' /\n DATA GAS_CHEM_SPC( 125 ) / 'BNZNRXN ' /\n DATA GAS_CHEM_SPC( 126 ) / 'BNZHRXN ' /\n DATA GAS_CHEM_SPC( 127 ) / 'SESQ ' /\n DATA GAS_CHEM_SPC( 128 ) / 'SESQRXN ' /\n DATA GAS_CHEM_SPC( 129 ) / 'NAPH ' /\n DATA GAS_CHEM_SPC( 130 ) / 'PAHRO2 ' /\n DATA GAS_CHEM_SPC( 131 ) / 'PAHNRXN ' /\n DATA GAS_CHEM_SPC( 132 ) / 'PAHHRXN ' /\n DATA GAS_CHEM_SPC( 133 ) / 'SOAALK ' /\n DATA GAS_CHEM_SPC( 134 ) / 'ALKRXN ' /\n DATA GAS_CHEM_SPC( 135 ) / 'PCVOC ' /\n DATA GAS_CHEM_SPC( 136 ) / 'PCSOARXN ' /\n DATA GAS_CHEM_SPC( 137 ) / 'VLVPO1 ' /\n DATA GAS_CHEM_SPC( 138 ) / 'VSVPO1 ' /\n DATA GAS_CHEM_SPC( 139 ) / 'VSVPO2 ' /\n DATA GAS_CHEM_SPC( 140 ) / 'VSVPO3 ' /\n DATA GAS_CHEM_SPC( 141 ) / 'VIVPO1 ' /\n DATA GAS_CHEM_SPC( 142 ) / 'VLVOO1 ' /\n DATA GAS_CHEM_SPC( 143 ) / 'VLVOO2 ' /\n DATA GAS_CHEM_SPC( 144 ) / 'VSVOO2 ' /\n DATA GAS_CHEM_SPC( 145 ) / 'VSVOO3 ' /\n DATA GAS_CHEM_SPC( 146 ) / 'VSVOO1 ' /\n\n\n\n\n LOGICAL :: HALOGEN_PARAMETER = .TRUE. \n\n\n! The below character and integer arrays list the model species names used in the \n! chemical mechanism. The gas species and their order should agree with \n! the GC_SPC array for the gas phase chemistry to work correctly. \n! If present, the CHEMISTRY_SPC names and species type should agree with the CGRID_SPCS module\n\n\n! MAPPED_TO_CGRID declares whether CMAQ namelists were used to determine \n! the below values of CGRID_INDEX, SPECIES_TYPE, SPECIES_MOLWT, and CONVERT_CONC\n LOGICAL, PARAMETER, PRIVATE :: F = .FALSE.\n LOGICAL, PARAMETER, PRIVATE :: T = .TRUE.\n\n\n LOGICAL :: MAPPED_TO_CGRID = .FALSE. \n\n TYPE MEMBER\n CHARACTER( 16 ) :: CHEMISTRY_SPC\n INTEGER :: CGRID_INDEX\n CHARACTER( 2 ) :: SPECIES_TYPE\n REAL( 8 ) :: SPECIES_MOLWT\n LOGICAL :: CONVERT_CONC\n END TYPE MEMBER\n TYPE( MEMBER ) :: SPECIES_LIST( NUMB_MECH_SPC ) = (/ &\n & MEMBER(\"O3 \", 1, \"GC\", 48.00D0, F), &\n & MEMBER(\"O3P \", 2, \"GC\", 16.00D0, F), &\n & MEMBER(\"O1D \", 3, \"GC\", 16.00D0, F), &\n & MEMBER(\"H2O2 \", 4, \"GC\", 34.00D0, F), &\n & MEMBER(\"HO \", 5, \"GC\", 17.00D0, F), &\n & MEMBER(\"NO2 \", 6, \"GC\", 46.00D0, F), &\n & MEMBER(\"NO \", 7, \"GC\", 30.00D0, F), &\n & MEMBER(\"NO3 \", 8, \"GC\", 62.00D0, F), &\n & MEMBER(\"HONO \", 9, \"GC\", 47.00D0, F), &\n & MEMBER(\"HNO3 \", 10, \"GC\", 63.00D0, F), &\n & MEMBER(\"HNO4 \", 11, \"GC\", 79.00D0, F), &\n & MEMBER(\"HO2 \", 12, \"GC\", 33.00D0, F), &\n & MEMBER(\"HCHO \", 13, \"GC\", 30.00D0, F), &\n & MEMBER(\"CO \", 14, \"GC\", 28.00D0, F), &\n & MEMBER(\"ACD \", 15, \"GC\", 44.00D0, F), &\n & MEMBER(\"MO2 \", 16, \"GC\", 47.00D0, F), &\n & MEMBER(\"ALD \", 17, \"GC\", 58.00D0, F), &\n & MEMBER(\"ETHP \", 18, \"GC\", 61.00D0, F), &\n & MEMBER(\"ACT \", 19, \"GC\", 58.00D0, F), &\n & MEMBER(\"ACO3 \", 20, \"GC\", 75.00D0, F), &\n & MEMBER(\"UALD \", 21, \"GC\", 84.00D0, F), &\n & MEMBER(\"KET \", 22, \"GC\", 86.00D0, F), &\n & MEMBER(\"MEK \", 23, \"GC\", 72.00D0, F), &\n & MEMBER(\"HKET \", 24, \"GC\", 74.00D0, F), &\n & MEMBER(\"MACR \", 25, \"GC\", 70.00D0, F), &\n & MEMBER(\"MACP \", 26, \"GC\", 101.00D0, F), &\n & MEMBER(\"XO2 \", 27, \"GC\", 1.00D0, F), &\n & MEMBER(\"MVK \", 28, \"GC\", 70.00D0, F), &\n & MEMBER(\"GLY \", 29, \"GC\", 58.00D0, F), &\n & MEMBER(\"MGLY \", 30, \"GC\", 72.00D0, F), &\n & MEMBER(\"DCB1 \", 31, \"GC\", 91.00D0, F), &\n & MEMBER(\"DCB2 \", 32, \"GC\", 110.00D0, F), &\n & MEMBER(\"BALD \", 33, \"GC\", 106.00D0, F), &\n & MEMBER(\"CHO \", 34, \"GC\", 139.00D0, F), &\n & MEMBER(\"OP1 \", 35, \"GC\", 48.00D0, F), &\n & MEMBER(\"OP2 \", 36, \"GC\", 62.00D0, F), &\n & MEMBER(\"PAA \", 37, \"GC\", 76.00D0, F), &\n & MEMBER(\"ONIT \", 38, \"GC\", 119.00D0, F), &\n & MEMBER(\"PAN \", 39, \"GC\", 121.00D0, F), &\n & MEMBER(\"N2O5 \", 40, \"GC\", 108.00D0, F), &\n & MEMBER(\"SO2 \", 41, \"GC\", 64.00D0, F), &\n & MEMBER(\"SULF \", 42, \"GC\", 98.00D0, F), &\n & MEMBER(\"SULRXN \", 43, \"GC\", 98.00D0, F), &\n & MEMBER(\"ETH \", 44, \"GC\", 30.00D0, F), &\n & MEMBER(\"HC3 \", 45, \"GC\", 44.00D0, F), &\n & MEMBER(\"HC3P \", 46, \"GC\", 75.00D0, F), &\n & MEMBER(\"HC5 \", 47, \"GC\", 72.00D0, F), &\n & MEMBER(\"HC5P \", 48, \"GC\", 103.00D0, F), &\n & MEMBER(\"HC8 \", 49, \"GC\", 114.00D0, F), &\n & MEMBER(\"HC8P \", 50, \"GC\", 145.00D0, F), &\n & MEMBER(\"ETE \", 51, \"GC\", 28.00D0, F), &\n & MEMBER(\"ETEP \", 52, \"GC\", 77.00D0, F), &\n & MEMBER(\"OLT \", 53, \"GC\", 42.00D0, F), &\n & MEMBER(\"OLTP \", 54, \"GC\", 91.00D0, F), &\n & MEMBER(\"OLI \", 55, \"GC\", 68.00D0, F), &\n & MEMBER(\"OLIP \", 56, \"GC\", 117.00D0, F), &\n & MEMBER(\"DIEN \", 57, \"GC\", 54.00D0, F), &\n & MEMBER(\"ACE \", 58, \"GC\", 26.00D0, F), &\n & MEMBER(\"ORA1 \", 59, \"GC\", 46.00D0, F), &\n & MEMBER(\"BENZENE \", 60, \"GC\", 78.00D0, F), &\n & MEMBER(\"BENP \", 61, \"GC\", 127.00D0, F), &\n & MEMBER(\"EPX \", 62, \"GC\", 122.50D0, F), &\n & MEMBER(\"PHEN \", 63, \"GC\", 94.00D0, F), &\n & MEMBER(\"BENZRO2 \", 64, \"GC\", 127.00D0, F), &\n & MEMBER(\"TOL \", 65, \"GC\", 92.00D0, F), &\n & MEMBER(\"TR2 \", 66, \"GC\", 109.00D0, F), &\n & MEMBER(\"TLP1 \", 67, \"GC\", 91.00D0, F), &\n & MEMBER(\"CSL \", 68, \"GC\", 108.00D0, F), &\n & MEMBER(\"TOLRO2 \", 69, \"GC\", 141.00D0, F), &\n & MEMBER(\"XYM \", 70, \"GC\", 106.00D0, F), &\n & MEMBER(\"XY2 \", 71, \"GC\", 124.00D0, F), &\n & MEMBER(\"XYL1 \", 72, \"GC\", 156.00D0, F), &\n & MEMBER(\"XYLRO2 \", 73, \"GC\", 155.00D0, F), &\n & MEMBER(\"XYP \", 74, \"GC\", 106.00D0, F), &\n & MEMBER(\"XYO \", 75, \"GC\", 106.00D0, F), &\n & MEMBER(\"XYO2 \", 76, \"GC\", 155.00D0, F), &\n & MEMBER(\"ISO \", 77, \"GC\", 68.00D0, F), &\n & MEMBER(\"ISOP \", 78, \"GC\", 117.00D0, F), &\n & MEMBER(\"ISOPRXN \", 79, \"GC\", 68.00D0, F), &\n & MEMBER(\"API \", 80, \"GC\", 136.00D0, F), &\n & MEMBER(\"APIP \", 81, \"GC\", 185.00D0, F), &\n & MEMBER(\"TRPRXN \", 82, \"GC\", 136.00D0, F), &\n & MEMBER(\"LIM \", 83, \"GC\", 136.00D0, F), &\n & MEMBER(\"LIMP \", 84, \"GC\", 185.00D0, F), &\n & MEMBER(\"RCO3 \", 85, \"GC\", 90.00D0, F), &\n & MEMBER(\"ACTP \", 86, \"GC\", 89.00D0, F), &\n & MEMBER(\"MEKP \", 87, \"GC\", 103.00D0, F), &\n & MEMBER(\"KETP \", 88, \"GC\", 117.00D0, F), &\n & MEMBER(\"MCP \", 89, \"GC\", 119.00D0, F), &\n & MEMBER(\"MVKP \", 90, \"GC\", 119.00D0, F), &\n & MEMBER(\"UALP \", 91, \"GC\", 133.00D0, F), &\n & MEMBER(\"DCB3 \", 92, \"GC\", 84.00D0, F), &\n & MEMBER(\"BALP \", 93, \"GC\", 137.00D0, F), &\n & MEMBER(\"ADDC \", 94, \"GC\", 125.00D0, F), &\n & MEMBER(\"MCT \", 95, \"GC\", 124.00D0, F), &\n & MEMBER(\"MCTO \", 96, \"GC\", 123.00D0, F), &\n & MEMBER(\"MOH \", 97, \"GC\", 32.00D0, F), &\n & MEMBER(\"EOH \", 98, \"GC\", 46.00D0, F), &\n & MEMBER(\"ROH \", 99, \"GC\", 60.00D0, F), &\n & MEMBER(\"ETEG \", 100, \"GC\", 62.00D0, F), &\n & MEMBER(\"ISHP \", 101, \"GC\", 118.00D0, F), &\n & MEMBER(\"IEPOX \", 102, \"GC\", 118.10D0, F), &\n & MEMBER(\"MAHP \", 103, \"GC\", 102.00D0, F), &\n & MEMBER(\"ORA2 \", 104, \"GC\", 60.00D0, F), &\n & MEMBER(\"ORAP \", 105, \"GC\", 109.00D0, F), &\n & MEMBER(\"PPN \", 106, \"GC\", 135.00D0, F), &\n & MEMBER(\"MPAN \", 107, \"GC\", 148.00D0, F), &\n & MEMBER(\"NALD \", 108, \"GC\", 105.00D0, F), &\n & MEMBER(\"ISON \", 109, \"GC\", 147.00D0, F), &\n & MEMBER(\"MCTP \", 110, \"GC\", 172.00D0, F), &\n & MEMBER(\"OLNN \", 111, \"GC\", 136.00D0, F), &\n & MEMBER(\"OLND \", 112, \"GC\", 136.00D0, F), &\n & MEMBER(\"ADCN \", 113, \"GC\", 156.00D0, F), &\n & MEMBER(\"TOLP \", 114, \"GC\", 141.00D0, F), &\n & MEMBER(\"PER1 \", 115, \"GC\", 141.00D0, F), &\n & MEMBER(\"XYLP \", 116, \"GC\", 155.00D0, F), &\n & MEMBER(\"PER2 \", 117, \"GC\", 157.00D0, F), &\n & MEMBER(\"XYOP \", 118, \"GC\", 155.00D0, F), &\n & MEMBER(\"BAL1 \", 119, \"GC\", 121.00D0, F), &\n & MEMBER(\"BAL2 \", 120, \"GC\", 105.00D0, F), &\n & MEMBER(\"TOLNRXN \", 121, \"GC\", 141.00D0, F), &\n & MEMBER(\"TOLHRXN \", 122, \"GC\", 141.00D0, F), &\n & MEMBER(\"XYLNRXN \", 123, \"GC\", 155.00D0, F), &\n & MEMBER(\"XYLHRXN \", 124, \"GC\", 155.00D0, F), &\n & MEMBER(\"BNZNRXN \", 125, \"GC\", 127.00D0, F), &\n & MEMBER(\"BNZHRXN \", 126, \"GC\", 127.00D0, F), &\n & MEMBER(\"SESQ \", 127, \"GC\", 204.00D0, F), &\n & MEMBER(\"SESQRXN \", 128, \"GC\", 204.00D0, F), &\n & MEMBER(\"NAPH \", 129, \"GC\", 128.20D0, F), &\n & MEMBER(\"PAHRO2 \", 130, \"GC\", 187.20D0, F), &\n & MEMBER(\"PAHNRXN \", 131, \"GC\", 187.20D0, F), &\n & MEMBER(\"PAHHRXN \", 132, \"GC\", 187.20D0, F), &\n & MEMBER(\"SOAALK \", 133, \"GC\", 112.00D0, F), &\n & MEMBER(\"ALKRXN \", 134, \"GC\", 112.00D0, F), &\n & MEMBER(\"AISO3J \", 210, \"AE\", 168.20D0, T), &\n & MEMBER(\"AXYL1J \", 164, \"AE\", 174.00D0, T), &\n & MEMBER(\"AOLGAJ \", 211, \"AE\", 206.00D0, T), &\n & MEMBER(\"AXYL2J \", 165, \"AE\", 185.00D0, T), &\n & MEMBER(\"ATOL1J \", 167, \"AE\", 163.00D0, T), &\n & MEMBER(\"ATOL2J \", 168, \"AE\", 175.00D0, T), &\n & MEMBER(\"ABNZ1J \", 170, \"AE\", 161.00D0, T), &\n & MEMBER(\"ABNZ2J \", 171, \"AE\", 134.00D0, T), &\n & MEMBER(\"ATRP1J \", 176, \"AE\", 177.00D0, T), &\n & MEMBER(\"AOLGBJ \", 212, \"AE\", 248.00D0, T), &\n & MEMBER(\"ATRP2J \", 177, \"AE\", 198.00D0, T), &\n & MEMBER(\"AISO1J \", 178, \"AE\", 132.00D0, T), &\n & MEMBER(\"AISO2J \", 179, \"AE\", 133.00D0, T), &\n & MEMBER(\"ASQTJ \", 180, \"AE\", 273.00D0, T), &\n & MEMBER(\"APAH1J \", 173, \"AE\", 195.60D0, T), &\n & MEMBER(\"APAH2J \", 174, \"AE\", 178.70D0, T), &\n & MEMBER(\"AALK1J \", 162, \"AE\", 225.00D0, T), &\n & MEMBER(\"AALK2J \", 163, \"AE\", 205.10D0, T), &\n & MEMBER(\"APOCI \", 213, \"AE\", 220.00D0, T), &\n & MEMBER(\"APNCOMI \", 215, \"AE\", 220.00D0, T), &\n & MEMBER(\"APOCJ \", 214, \"AE\", 220.00D0, T), &\n & MEMBER(\"APNCOMJ \", 216, \"AE\", 220.00D0, T), &\n & MEMBER(\"PCVOC \", 145, \"GC\", 170.00D0, F), &\n & MEMBER(\"PCSOARXN \", 146, \"GC\", 170.00D0, F), &\n & MEMBER(\"VLVPO1 \", 135, \"GC\", 218.00D0, F), &\n & MEMBER(\"VSVPO1 \", 136, \"GC\", 230.00D0, F), &\n & MEMBER(\"VSVPO2 \", 137, \"GC\", 241.00D0, F), &\n & MEMBER(\"VSVPO3 \", 138, \"GC\", 253.00D0, F), &\n & MEMBER(\"VIVPO1 \", 139, \"GC\", 266.00D0, F), &\n & MEMBER(\"VLVOO1 \", 140, \"GC\", 136.00D0, F), &\n & MEMBER(\"VLVOO2 \", 141, \"GC\", 136.00D0, F), &\n & MEMBER(\"VSVOO2 \", 143, \"GC\", 135.00D0, F), &\n & MEMBER(\"VSVOO3 \", 144, \"GC\", 134.00D0, F), &\n & MEMBER(\"VSVOO1 \", 142, \"GC\", 135.00D0, F) /)\n\n DATA CHEMISTRY_SPC( 1 ), SPECIES_MOLWT( 1 ) / 'O3 ', 48.00D0 /\n DATA CHEMISTRY_SPC( 2 ), SPECIES_MOLWT( 2 ) / 'O3P ', 16.00D0 /\n DATA CHEMISTRY_SPC( 3 ), SPECIES_MOLWT( 3 ) / 'O1D ', 16.00D0 /\n DATA CHEMISTRY_SPC( 4 ), SPECIES_MOLWT( 4 ) / 'H2O2 ', 34.00D0 /\n DATA CHEMISTRY_SPC( 5 ), SPECIES_MOLWT( 5 ) / 'HO ', 17.00D0 /\n DATA CHEMISTRY_SPC( 6 ), SPECIES_MOLWT( 6 ) / 'NO2 ', 46.00D0 /\n DATA CHEMISTRY_SPC( 7 ), SPECIES_MOLWT( 7 ) / 'NO ', 30.00D0 /\n DATA CHEMISTRY_SPC( 8 ), SPECIES_MOLWT( 8 ) / 'NO3 ', 62.00D0 /\n DATA CHEMISTRY_SPC( 9 ), SPECIES_MOLWT( 9 ) / 'HONO ', 47.00D0 /\n DATA CHEMISTRY_SPC( 10 ), SPECIES_MOLWT( 10 ) / 'HNO3 ', 63.00D0 /\n DATA CHEMISTRY_SPC( 11 ), SPECIES_MOLWT( 11 ) / 'HNO4 ', 79.00D0 /\n DATA CHEMISTRY_SPC( 12 ), SPECIES_MOLWT( 12 ) / 'HO2 ', 33.00D0 /\n DATA CHEMISTRY_SPC( 13 ), SPECIES_MOLWT( 13 ) / 'HCHO ', 30.00D0 /\n DATA CHEMISTRY_SPC( 14 ), SPECIES_MOLWT( 14 ) / 'CO ', 28.00D0 /\n DATA CHEMISTRY_SPC( 15 ), SPECIES_MOLWT( 15 ) / 'ACD ', 44.00D0 /\n DATA CHEMISTRY_SPC( 16 ), SPECIES_MOLWT( 16 ) / 'MO2 ', 47.00D0 /\n DATA CHEMISTRY_SPC( 17 ), SPECIES_MOLWT( 17 ) / 'ALD ', 58.00D0 /\n DATA CHEMISTRY_SPC( 18 ), SPECIES_MOLWT( 18 ) / 'ETHP ', 61.00D0 /\n DATA CHEMISTRY_SPC( 19 ), SPECIES_MOLWT( 19 ) / 'ACT ', 58.00D0 /\n DATA CHEMISTRY_SPC( 20 ), SPECIES_MOLWT( 20 ) / 'ACO3 ', 75.00D0 /\n DATA CHEMISTRY_SPC( 21 ), SPECIES_MOLWT( 21 ) / 'UALD ', 84.00D0 /\n DATA CHEMISTRY_SPC( 22 ), SPECIES_MOLWT( 22 ) / 'KET ', 86.00D0 /\n DATA CHEMISTRY_SPC( 23 ), SPECIES_MOLWT( 23 ) / 'MEK ', 72.00D0 /\n DATA CHEMISTRY_SPC( 24 ), SPECIES_MOLWT( 24 ) / 'HKET ', 74.00D0 /\n DATA CHEMISTRY_SPC( 25 ), SPECIES_MOLWT( 25 ) / 'MACR ', 70.00D0 /\n DATA CHEMISTRY_SPC( 26 ), SPECIES_MOLWT( 26 ) / 'MACP ', 101.00D0 /\n DATA CHEMISTRY_SPC( 27 ), SPECIES_MOLWT( 27 ) / 'XO2 ', 1.00D0 /\n DATA CHEMISTRY_SPC( 28 ), SPECIES_MOLWT( 28 ) / 'MVK ', 70.00D0 /\n DATA CHEMISTRY_SPC( 29 ), SPECIES_MOLWT( 29 ) / 'GLY ', 58.00D0 /\n DATA CHEMISTRY_SPC( 30 ), SPECIES_MOLWT( 30 ) / 'MGLY ', 72.00D0 /\n DATA CHEMISTRY_SPC( 31 ), SPECIES_MOLWT( 31 ) / 'DCB1 ', 91.00D0 /\n DATA CHEMISTRY_SPC( 32 ), SPECIES_MOLWT( 32 ) / 'DCB2 ', 110.00D0 /\n DATA CHEMISTRY_SPC( 33 ), SPECIES_MOLWT( 33 ) / 'BALD ', 106.00D0 /\n DATA CHEMISTRY_SPC( 34 ), SPECIES_MOLWT( 34 ) / 'CHO ', 139.00D0 /\n DATA CHEMISTRY_SPC( 35 ), SPECIES_MOLWT( 35 ) / 'OP1 ', 48.00D0 /\n DATA CHEMISTRY_SPC( 36 ), SPECIES_MOLWT( 36 ) / 'OP2 ', 62.00D0 /\n DATA CHEMISTRY_SPC( 37 ), SPECIES_MOLWT( 37 ) / 'PAA ', 76.00D0 /\n DATA CHEMISTRY_SPC( 38 ), SPECIES_MOLWT( 38 ) / 'ONIT ', 119.00D0 /\n DATA CHEMISTRY_SPC( 39 ), SPECIES_MOLWT( 39 ) / 'PAN ', 121.00D0 /\n DATA CHEMISTRY_SPC( 40 ), SPECIES_MOLWT( 40 ) / 'N2O5 ', 108.00D0 /\n DATA CHEMISTRY_SPC( 41 ), SPECIES_MOLWT( 41 ) / 'SO2 ', 64.00D0 /\n DATA CHEMISTRY_SPC( 42 ), SPECIES_MOLWT( 42 ) / 'SULF ', 98.00D0 /\n DATA CHEMISTRY_SPC( 43 ), SPECIES_MOLWT( 43 ) / 'SULRXN ', 98.00D0 /\n DATA CHEMISTRY_SPC( 44 ), SPECIES_MOLWT( 44 ) / 'ETH ', 30.00D0 /\n DATA CHEMISTRY_SPC( 45 ), SPECIES_MOLWT( 45 ) / 'HC3 ', 44.00D0 /\n DATA CHEMISTRY_SPC( 46 ), SPECIES_MOLWT( 46 ) / 'HC3P ', 75.00D0 /\n DATA CHEMISTRY_SPC( 47 ), SPECIES_MOLWT( 47 ) / 'HC5 ', 72.00D0 /\n DATA CHEMISTRY_SPC( 48 ), SPECIES_MOLWT( 48 ) / 'HC5P ', 103.00D0 /\n DATA CHEMISTRY_SPC( 49 ), SPECIES_MOLWT( 49 ) / 'HC8 ', 114.00D0 /\n DATA CHEMISTRY_SPC( 50 ), SPECIES_MOLWT( 50 ) / 'HC8P ', 145.00D0 /\n DATA CHEMISTRY_SPC( 51 ), SPECIES_MOLWT( 51 ) / 'ETE ', 28.00D0 /\n DATA CHEMISTRY_SPC( 52 ), SPECIES_MOLWT( 52 ) / 'ETEP ', 77.00D0 /\n DATA CHEMISTRY_SPC( 53 ), SPECIES_MOLWT( 53 ) / 'OLT ', 42.00D0 /\n DATA CHEMISTRY_SPC( 54 ), SPECIES_MOLWT( 54 ) / 'OLTP ', 91.00D0 /\n DATA CHEMISTRY_SPC( 55 ), SPECIES_MOLWT( 55 ) / 'OLI ', 68.00D0 /\n DATA CHEMISTRY_SPC( 56 ), SPECIES_MOLWT( 56 ) / 'OLIP ', 117.00D0 /\n DATA CHEMISTRY_SPC( 57 ), SPECIES_MOLWT( 57 ) / 'DIEN ', 54.00D0 /\n DATA CHEMISTRY_SPC( 58 ), SPECIES_MOLWT( 58 ) / 'ACE ', 26.00D0 /\n DATA CHEMISTRY_SPC( 59 ), SPECIES_MOLWT( 59 ) / 'ORA1 ', 46.00D0 /\n DATA CHEMISTRY_SPC( 60 ), SPECIES_MOLWT( 60 ) / 'BENZENE ', 78.00D0 /\n DATA CHEMISTRY_SPC( 61 ), SPECIES_MOLWT( 61 ) / 'BENP ', 127.00D0 /\n DATA CHEMISTRY_SPC( 62 ), SPECIES_MOLWT( 62 ) / 'EPX ', 122.50D0 /\n DATA CHEMISTRY_SPC( 63 ), SPECIES_MOLWT( 63 ) / 'PHEN ', 94.00D0 /\n DATA CHEMISTRY_SPC( 64 ), SPECIES_MOLWT( 64 ) / 'BENZRO2 ', 127.00D0 /\n DATA CHEMISTRY_SPC( 65 ), SPECIES_MOLWT( 65 ) / 'TOL ', 92.00D0 /\n DATA CHEMISTRY_SPC( 66 ), SPECIES_MOLWT( 66 ) / 'TR2 ', 109.00D0 /\n DATA CHEMISTRY_SPC( 67 ), SPECIES_MOLWT( 67 ) / 'TLP1 ', 91.00D0 /\n DATA CHEMISTRY_SPC( 68 ), SPECIES_MOLWT( 68 ) / 'CSL ', 108.00D0 /\n DATA CHEMISTRY_SPC( 69 ), SPECIES_MOLWT( 69 ) / 'TOLRO2 ', 141.00D0 /\n DATA CHEMISTRY_SPC( 70 ), SPECIES_MOLWT( 70 ) / 'XYM ', 106.00D0 /\n DATA CHEMISTRY_SPC( 71 ), SPECIES_MOLWT( 71 ) / 'XY2 ', 124.00D0 /\n DATA CHEMISTRY_SPC( 72 ), SPECIES_MOLWT( 72 ) / 'XYL1 ', 156.00D0 /\n DATA CHEMISTRY_SPC( 73 ), SPECIES_MOLWT( 73 ) / 'XYLRO2 ', 155.00D0 /\n DATA CHEMISTRY_SPC( 74 ), SPECIES_MOLWT( 74 ) / 'XYP ', 106.00D0 /\n DATA CHEMISTRY_SPC( 75 ), SPECIES_MOLWT( 75 ) / 'XYO ', 106.00D0 /\n DATA CHEMISTRY_SPC( 76 ), SPECIES_MOLWT( 76 ) / 'XYO2 ', 155.00D0 /\n DATA CHEMISTRY_SPC( 77 ), SPECIES_MOLWT( 77 ) / 'ISO ', 68.00D0 /\n DATA CHEMISTRY_SPC( 78 ), SPECIES_MOLWT( 78 ) / 'ISOP ', 117.00D0 /\n DATA CHEMISTRY_SPC( 79 ), SPECIES_MOLWT( 79 ) / 'ISOPRXN ', 68.00D0 /\n DATA CHEMISTRY_SPC( 80 ), SPECIES_MOLWT( 80 ) / 'API ', 136.00D0 /\n DATA CHEMISTRY_SPC( 81 ), SPECIES_MOLWT( 81 ) / 'APIP ', 185.00D0 /\n DATA CHEMISTRY_SPC( 82 ), SPECIES_MOLWT( 82 ) / 'TRPRXN ', 136.00D0 /\n DATA CHEMISTRY_SPC( 83 ), SPECIES_MOLWT( 83 ) / 'LIM ', 136.00D0 /\n DATA CHEMISTRY_SPC( 84 ), SPECIES_MOLWT( 84 ) / 'LIMP ', 185.00D0 /\n DATA CHEMISTRY_SPC( 85 ), SPECIES_MOLWT( 85 ) / 'RCO3 ', 90.00D0 /\n DATA CHEMISTRY_SPC( 86 ), SPECIES_MOLWT( 86 ) / 'ACTP ', 89.00D0 /\n DATA CHEMISTRY_SPC( 87 ), SPECIES_MOLWT( 87 ) / 'MEKP ', 103.00D0 /\n DATA CHEMISTRY_SPC( 88 ), SPECIES_MOLWT( 88 ) / 'KETP ', 117.00D0 /\n DATA CHEMISTRY_SPC( 89 ), SPECIES_MOLWT( 89 ) / 'MCP ', 119.00D0 /\n DATA CHEMISTRY_SPC( 90 ), SPECIES_MOLWT( 90 ) / 'MVKP ', 119.00D0 /\n DATA CHEMISTRY_SPC( 91 ), SPECIES_MOLWT( 91 ) / 'UALP ', 133.00D0 /\n DATA CHEMISTRY_SPC( 92 ), SPECIES_MOLWT( 92 ) / 'DCB3 ', 84.00D0 /\n DATA CHEMISTRY_SPC( 93 ), SPECIES_MOLWT( 93 ) / 'BALP ', 137.00D0 /\n DATA CHEMISTRY_SPC( 94 ), SPECIES_MOLWT( 94 ) / 'ADDC ', 125.00D0 /\n DATA CHEMISTRY_SPC( 95 ), SPECIES_MOLWT( 95 ) / 'MCT ', 124.00D0 /\n DATA CHEMISTRY_SPC( 96 ), SPECIES_MOLWT( 96 ) / 'MCTO ', 123.00D0 /\n DATA CHEMISTRY_SPC( 97 ), SPECIES_MOLWT( 97 ) / 'MOH ', 32.00D0 /\n DATA CHEMISTRY_SPC( 98 ), SPECIES_MOLWT( 98 ) / 'EOH ', 46.00D0 /\n DATA CHEMISTRY_SPC( 99 ), SPECIES_MOLWT( 99 ) / 'ROH ', 60.00D0 /\n DATA CHEMISTRY_SPC( 100 ), SPECIES_MOLWT( 100 ) / 'ETEG ', 62.00D0 /\n DATA CHEMISTRY_SPC( 101 ), SPECIES_MOLWT( 101 ) / 'ISHP ', 118.00D0 /\n DATA CHEMISTRY_SPC( 102 ), SPECIES_MOLWT( 102 ) / 'IEPOX ', 118.10D0 /\n DATA CHEMISTRY_SPC( 103 ), SPECIES_MOLWT( 103 ) / 'MAHP ', 102.00D0 /\n DATA CHEMISTRY_SPC( 104 ), SPECIES_MOLWT( 104 ) / 'ORA2 ', 60.00D0 /\n DATA CHEMISTRY_SPC( 105 ), SPECIES_MOLWT( 105 ) / 'ORAP ', 109.00D0 /\n DATA CHEMISTRY_SPC( 106 ), SPECIES_MOLWT( 106 ) / 'PPN ', 135.00D0 /\n DATA CHEMISTRY_SPC( 107 ), SPECIES_MOLWT( 107 ) / 'MPAN ', 148.00D0 /\n DATA CHEMISTRY_SPC( 108 ), SPECIES_MOLWT( 108 ) / 'NALD ', 105.00D0 /\n DATA CHEMISTRY_SPC( 109 ), SPECIES_MOLWT( 109 ) / 'ISON ', 147.00D0 /\n DATA CHEMISTRY_SPC( 110 ), SPECIES_MOLWT( 110 ) / 'MCTP ', 172.00D0 /\n DATA CHEMISTRY_SPC( 111 ), SPECIES_MOLWT( 111 ) / 'OLNN ', 136.00D0 /\n DATA CHEMISTRY_SPC( 112 ), SPECIES_MOLWT( 112 ) / 'OLND ', 136.00D0 /\n DATA CHEMISTRY_SPC( 113 ), SPECIES_MOLWT( 113 ) / 'ADCN ', 156.00D0 /\n DATA CHEMISTRY_SPC( 114 ), SPECIES_MOLWT( 114 ) / 'TOLP ', 141.00D0 /\n DATA CHEMISTRY_SPC( 115 ), SPECIES_MOLWT( 115 ) / 'PER1 ', 141.00D0 /\n DATA CHEMISTRY_SPC( 116 ), SPECIES_MOLWT( 116 ) / 'XYLP ', 155.00D0 /\n DATA CHEMISTRY_SPC( 117 ), SPECIES_MOLWT( 117 ) / 'PER2 ', 157.00D0 /\n DATA CHEMISTRY_SPC( 118 ), SPECIES_MOLWT( 118 ) / 'XYOP ', 155.00D0 /\n DATA CHEMISTRY_SPC( 119 ), SPECIES_MOLWT( 119 ) / 'BAL1 ', 121.00D0 /\n DATA CHEMISTRY_SPC( 120 ), SPECIES_MOLWT( 120 ) / 'BAL2 ', 105.00D0 /\n DATA CHEMISTRY_SPC( 121 ), SPECIES_MOLWT( 121 ) / 'TOLNRXN ', 141.00D0 /\n DATA CHEMISTRY_SPC( 122 ), SPECIES_MOLWT( 122 ) / 'TOLHRXN ', 141.00D0 /\n DATA CHEMISTRY_SPC( 123 ), SPECIES_MOLWT( 123 ) / 'XYLNRXN ', 155.00D0 /\n DATA CHEMISTRY_SPC( 124 ), SPECIES_MOLWT( 124 ) / 'XYLHRXN ', 155.00D0 /\n DATA CHEMISTRY_SPC( 125 ), SPECIES_MOLWT( 125 ) / 'BNZNRXN ', 127.00D0 /\n DATA CHEMISTRY_SPC( 126 ), SPECIES_MOLWT( 126 ) / 'BNZHRXN ', 127.00D0 /\n DATA CHEMISTRY_SPC( 127 ), SPECIES_MOLWT( 127 ) / 'SESQ ', 204.00D0 /\n DATA CHEMISTRY_SPC( 128 ), SPECIES_MOLWT( 128 ) / 'SESQRXN ', 204.00D0 /\n DATA CHEMISTRY_SPC( 129 ), SPECIES_MOLWT( 129 ) / 'NAPH ', 128.20D0 /\n DATA CHEMISTRY_SPC( 130 ), SPECIES_MOLWT( 130 ) / 'PAHRO2 ', 187.20D0 /\n DATA CHEMISTRY_SPC( 131 ), SPECIES_MOLWT( 131 ) / 'PAHNRXN ', 187.20D0 /\n DATA CHEMISTRY_SPC( 132 ), SPECIES_MOLWT( 132 ) / 'PAHHRXN ', 187.20D0 /\n DATA CHEMISTRY_SPC( 133 ), SPECIES_MOLWT( 133 ) / 'SOAALK ', 112.00D0 /\n DATA CHEMISTRY_SPC( 134 ), SPECIES_MOLWT( 134 ) / 'ALKRXN ', 112.00D0 /\n DATA CHEMISTRY_SPC( 135 ), SPECIES_MOLWT( 135 ) / 'AISO3J ', 168.20D0 /\n DATA CHEMISTRY_SPC( 136 ), SPECIES_MOLWT( 136 ) / 'AXYL1J ', 174.00D0 /\n DATA CHEMISTRY_SPC( 137 ), SPECIES_MOLWT( 137 ) / 'AOLGAJ ', 206.00D0 /\n DATA CHEMISTRY_SPC( 138 ), SPECIES_MOLWT( 138 ) / 'AXYL2J ', 185.00D0 /\n DATA CHEMISTRY_SPC( 139 ), SPECIES_MOLWT( 139 ) / 'ATOL1J ', 163.00D0 /\n DATA CHEMISTRY_SPC( 140 ), SPECIES_MOLWT( 140 ) / 'ATOL2J ', 175.00D0 /\n DATA CHEMISTRY_SPC( 141 ), SPECIES_MOLWT( 141 ) / 'ABNZ1J ', 161.00D0 /\n DATA CHEMISTRY_SPC( 142 ), SPECIES_MOLWT( 142 ) / 'ABNZ2J ', 134.00D0 /\n DATA CHEMISTRY_SPC( 143 ), SPECIES_MOLWT( 143 ) / 'ATRP1J ', 177.00D0 /\n DATA CHEMISTRY_SPC( 144 ), SPECIES_MOLWT( 144 ) / 'AOLGBJ ', 248.00D0 /\n DATA CHEMISTRY_SPC( 145 ), SPECIES_MOLWT( 145 ) / 'ATRP2J ', 198.00D0 /\n DATA CHEMISTRY_SPC( 146 ), SPECIES_MOLWT( 146 ) / 'AISO1J ', 132.00D0 /\n DATA CHEMISTRY_SPC( 147 ), SPECIES_MOLWT( 147 ) / 'AISO2J ', 133.00D0 /\n DATA CHEMISTRY_SPC( 148 ), SPECIES_MOLWT( 148 ) / 'ASQTJ ', 273.00D0 /\n DATA CHEMISTRY_SPC( 149 ), SPECIES_MOLWT( 149 ) / 'APAH1J ', 195.60D0 /\n DATA CHEMISTRY_SPC( 150 ), SPECIES_MOLWT( 150 ) / 'APAH2J ', 178.70D0 /\n DATA CHEMISTRY_SPC( 151 ), SPECIES_MOLWT( 151 ) / 'AALK1J ', 225.00D0 /\n DATA CHEMISTRY_SPC( 152 ), SPECIES_MOLWT( 152 ) / 'AALK2J ', 205.10D0 /\n DATA CHEMISTRY_SPC( 153 ), SPECIES_MOLWT( 153 ) / 'APOCI ', 220.00D0 /\n DATA CHEMISTRY_SPC( 154 ), SPECIES_MOLWT( 154 ) / 'APNCOMI ', 220.00D0 /\n DATA CHEMISTRY_SPC( 155 ), SPECIES_MOLWT( 155 ) / 'APOCJ ', 220.00D0 /\n DATA CHEMISTRY_SPC( 156 ), SPECIES_MOLWT( 156 ) / 'APNCOMJ ', 220.00D0 /\n DATA CHEMISTRY_SPC( 157 ), SPECIES_MOLWT( 157 ) / 'PCVOC ', 170.00D0 /\n DATA CHEMISTRY_SPC( 158 ), SPECIES_MOLWT( 158 ) / 'PCSOARXN ', 170.00D0 /\n DATA CHEMISTRY_SPC( 159 ), SPECIES_MOLWT( 159 ) / 'VLVPO1 ', 218.00D0 /\n DATA CHEMISTRY_SPC( 160 ), SPECIES_MOLWT( 160 ) / 'VSVPO1 ', 230.00D0 /\n DATA CHEMISTRY_SPC( 161 ), SPECIES_MOLWT( 161 ) / 'VSVPO2 ', 241.00D0 /\n DATA CHEMISTRY_SPC( 162 ), SPECIES_MOLWT( 162 ) / 'VSVPO3 ', 253.00D0 /\n DATA CHEMISTRY_SPC( 163 ), SPECIES_MOLWT( 163 ) / 'VIVPO1 ', 266.00D0 /\n DATA CHEMISTRY_SPC( 164 ), SPECIES_MOLWT( 164 ) / 'VLVOO1 ', 136.00D0 /\n DATA CHEMISTRY_SPC( 165 ), SPECIES_MOLWT( 165 ) / 'VLVOO2 ', 136.00D0 /\n DATA CHEMISTRY_SPC( 166 ), SPECIES_MOLWT( 166 ) / 'VSVOO2 ', 135.00D0 /\n DATA CHEMISTRY_SPC( 167 ), SPECIES_MOLWT( 167 ) / 'VSVOO3 ', 134.00D0 /\n DATA CHEMISTRY_SPC( 168 ), SPECIES_MOLWT( 168 ) / 'VSVOO1 ', 135.00D0 /\n\n\n DATA CGRID_INDEX( 1 ), SPECIES_TYPE( 1 ), CONVERT_CONC( 1 ) / 1, 'GC', F / ! O3\n DATA CGRID_INDEX( 2 ), SPECIES_TYPE( 2 ), CONVERT_CONC( 2 ) / 2, 'GC', F / ! O3P\n DATA CGRID_INDEX( 3 ), SPECIES_TYPE( 3 ), CONVERT_CONC( 3 ) / 3, 'GC', F / ! O1D\n DATA CGRID_INDEX( 4 ), SPECIES_TYPE( 4 ), CONVERT_CONC( 4 ) / 4, 'GC', F / ! H2O2\n DATA CGRID_INDEX( 5 ), SPECIES_TYPE( 5 ), CONVERT_CONC( 5 ) / 5, 'GC', F / ! HO\n DATA CGRID_INDEX( 6 ), SPECIES_TYPE( 6 ), CONVERT_CONC( 6 ) / 6, 'GC', F / ! NO2\n DATA CGRID_INDEX( 7 ), SPECIES_TYPE( 7 ), CONVERT_CONC( 7 ) / 7, 'GC', F / ! NO\n DATA CGRID_INDEX( 8 ), SPECIES_TYPE( 8 ), CONVERT_CONC( 8 ) / 8, 'GC', F / ! NO3\n DATA CGRID_INDEX( 9 ), SPECIES_TYPE( 9 ), CONVERT_CONC( 9 ) / 9, 'GC', F / ! HONO\n DATA CGRID_INDEX( 10 ), SPECIES_TYPE( 10 ), CONVERT_CONC( 10 ) / 10, 'GC', F / ! HNO3\n DATA CGRID_INDEX( 11 ), SPECIES_TYPE( 11 ), CONVERT_CONC( 11 ) / 11, 'GC', F / ! HNO4\n DATA CGRID_INDEX( 12 ), SPECIES_TYPE( 12 ), CONVERT_CONC( 12 ) / 12, 'GC', F / ! HO2\n DATA CGRID_INDEX( 13 ), SPECIES_TYPE( 13 ), CONVERT_CONC( 13 ) / 13, 'GC', F / ! HCHO\n DATA CGRID_INDEX( 14 ), SPECIES_TYPE( 14 ), CONVERT_CONC( 14 ) / 14, 'GC', F / ! CO\n DATA CGRID_INDEX( 15 ), SPECIES_TYPE( 15 ), CONVERT_CONC( 15 ) / 15, 'GC', F / ! ACD\n DATA CGRID_INDEX( 16 ), SPECIES_TYPE( 16 ), CONVERT_CONC( 16 ) / 16, 'GC', F / ! MO2\n DATA CGRID_INDEX( 17 ), SPECIES_TYPE( 17 ), CONVERT_CONC( 17 ) / 17, 'GC', F / ! ALD\n DATA CGRID_INDEX( 18 ), SPECIES_TYPE( 18 ), CONVERT_CONC( 18 ) / 18, 'GC', F / ! ETHP\n DATA CGRID_INDEX( 19 ), SPECIES_TYPE( 19 ), CONVERT_CONC( 19 ) / 19, 'GC', F / ! ACT\n DATA CGRID_INDEX( 20 ), SPECIES_TYPE( 20 ), CONVERT_CONC( 20 ) / 20, 'GC', F / ! ACO3\n DATA CGRID_INDEX( 21 ), SPECIES_TYPE( 21 ), CONVERT_CONC( 21 ) / 21, 'GC', F / ! UALD\n DATA CGRID_INDEX( 22 ), SPECIES_TYPE( 22 ), CONVERT_CONC( 22 ) / 22, 'GC', F / ! KET\n DATA CGRID_INDEX( 23 ), SPECIES_TYPE( 23 ), CONVERT_CONC( 23 ) / 23, 'GC', F / ! MEK\n DATA CGRID_INDEX( 24 ), SPECIES_TYPE( 24 ), CONVERT_CONC( 24 ) / 24, 'GC', F / ! HKET\n DATA CGRID_INDEX( 25 ), SPECIES_TYPE( 25 ), CONVERT_CONC( 25 ) / 25, 'GC', F / ! MACR\n DATA CGRID_INDEX( 26 ), SPECIES_TYPE( 26 ), CONVERT_CONC( 26 ) / 26, 'GC', F / ! MACP\n DATA CGRID_INDEX( 27 ), SPECIES_TYPE( 27 ), CONVERT_CONC( 27 ) / 27, 'GC', F / ! XO2\n DATA CGRID_INDEX( 28 ), SPECIES_TYPE( 28 ), CONVERT_CONC( 28 ) / 28, 'GC', F / ! MVK\n DATA CGRID_INDEX( 29 ), SPECIES_TYPE( 29 ), CONVERT_CONC( 29 ) / 29, 'GC', F / ! GLY\n DATA CGRID_INDEX( 30 ), SPECIES_TYPE( 30 ), CONVERT_CONC( 30 ) / 30, 'GC', F / ! MGLY\n DATA CGRID_INDEX( 31 ), SPECIES_TYPE( 31 ), CONVERT_CONC( 31 ) / 31, 'GC', F / ! DCB1\n DATA CGRID_INDEX( 32 ), SPECIES_TYPE( 32 ), CONVERT_CONC( 32 ) / 32, 'GC', F / ! DCB2\n DATA CGRID_INDEX( 33 ), SPECIES_TYPE( 33 ), CONVERT_CONC( 33 ) / 33, 'GC', F / ! BALD\n DATA CGRID_INDEX( 34 ), SPECIES_TYPE( 34 ), CONVERT_CONC( 34 ) / 34, 'GC', F / ! CHO\n DATA CGRID_INDEX( 35 ), SPECIES_TYPE( 35 ), CONVERT_CONC( 35 ) / 35, 'GC', F / ! OP1\n DATA CGRID_INDEX( 36 ), SPECIES_TYPE( 36 ), CONVERT_CONC( 36 ) / 36, 'GC', F / ! OP2\n DATA CGRID_INDEX( 37 ), SPECIES_TYPE( 37 ), CONVERT_CONC( 37 ) / 37, 'GC', F / ! PAA\n DATA CGRID_INDEX( 38 ), SPECIES_TYPE( 38 ), CONVERT_CONC( 38 ) / 38, 'GC', F / ! ONIT\n DATA CGRID_INDEX( 39 ), SPECIES_TYPE( 39 ), CONVERT_CONC( 39 ) / 39, 'GC', F / ! PAN\n DATA CGRID_INDEX( 40 ), SPECIES_TYPE( 40 ), CONVERT_CONC( 40 ) / 40, 'GC', F / ! N2O5\n DATA CGRID_INDEX( 41 ), SPECIES_TYPE( 41 ), CONVERT_CONC( 41 ) / 41, 'GC', F / ! SO2\n DATA CGRID_INDEX( 42 ), SPECIES_TYPE( 42 ), CONVERT_CONC( 42 ) / 42, 'GC', F / ! SULF\n DATA CGRID_INDEX( 43 ), SPECIES_TYPE( 43 ), CONVERT_CONC( 43 ) / 43, 'GC', F / ! SULRXN\n DATA CGRID_INDEX( 44 ), SPECIES_TYPE( 44 ), CONVERT_CONC( 44 ) / 44, 'GC', F / ! ETH\n DATA CGRID_INDEX( 45 ), SPECIES_TYPE( 45 ), CONVERT_CONC( 45 ) / 45, 'GC', F / ! HC3\n DATA CGRID_INDEX( 46 ), SPECIES_TYPE( 46 ), CONVERT_CONC( 46 ) / 46, 'GC', F / ! HC3P\n DATA CGRID_INDEX( 47 ), SPECIES_TYPE( 47 ), CONVERT_CONC( 47 ) / 47, 'GC', F / ! HC5\n DATA CGRID_INDEX( 48 ), SPECIES_TYPE( 48 ), CONVERT_CONC( 48 ) / 48, 'GC', F / ! HC5P\n DATA CGRID_INDEX( 49 ), SPECIES_TYPE( 49 ), CONVERT_CONC( 49 ) / 49, 'GC', F / ! HC8\n DATA CGRID_INDEX( 50 ), SPECIES_TYPE( 50 ), CONVERT_CONC( 50 ) / 50, 'GC', F / ! HC8P\n DATA CGRID_INDEX( 51 ), SPECIES_TYPE( 51 ), CONVERT_CONC( 51 ) / 51, 'GC', F / ! ETE\n DATA CGRID_INDEX( 52 ), SPECIES_TYPE( 52 ), CONVERT_CONC( 52 ) / 52, 'GC', F / ! ETEP\n DATA CGRID_INDEX( 53 ), SPECIES_TYPE( 53 ), CONVERT_CONC( 53 ) / 53, 'GC', F / ! OLT\n DATA CGRID_INDEX( 54 ), SPECIES_TYPE( 54 ), CONVERT_CONC( 54 ) / 54, 'GC', F / ! OLTP\n DATA CGRID_INDEX( 55 ), SPECIES_TYPE( 55 ), CONVERT_CONC( 55 ) / 55, 'GC', F / ! OLI\n DATA CGRID_INDEX( 56 ), SPECIES_TYPE( 56 ), CONVERT_CONC( 56 ) / 56, 'GC', F / ! OLIP\n DATA CGRID_INDEX( 57 ), SPECIES_TYPE( 57 ), CONVERT_CONC( 57 ) / 57, 'GC', F / ! DIEN\n DATA CGRID_INDEX( 58 ), SPECIES_TYPE( 58 ), CONVERT_CONC( 58 ) / 58, 'GC', F / ! ACE\n DATA CGRID_INDEX( 59 ), SPECIES_TYPE( 59 ), CONVERT_CONC( 59 ) / 59, 'GC', F / ! ORA1\n DATA CGRID_INDEX( 60 ), SPECIES_TYPE( 60 ), CONVERT_CONC( 60 ) / 60, 'GC', F / ! BENZENE\n DATA CGRID_INDEX( 61 ), SPECIES_TYPE( 61 ), CONVERT_CONC( 61 ) / 61, 'GC', F / ! BENP\n DATA CGRID_INDEX( 62 ), SPECIES_TYPE( 62 ), CONVERT_CONC( 62 ) / 62, 'GC', F / ! EPX\n DATA CGRID_INDEX( 63 ), SPECIES_TYPE( 63 ), CONVERT_CONC( 63 ) / 63, 'GC', F / ! PHEN\n DATA CGRID_INDEX( 64 ), SPECIES_TYPE( 64 ), CONVERT_CONC( 64 ) / 64, 'GC', F / ! BENZRO2\n DATA CGRID_INDEX( 65 ), SPECIES_TYPE( 65 ), CONVERT_CONC( 65 ) / 65, 'GC', F / ! TOL\n DATA CGRID_INDEX( 66 ), SPECIES_TYPE( 66 ), CONVERT_CONC( 66 ) / 66, 'GC', F / ! TR2\n DATA CGRID_INDEX( 67 ), SPECIES_TYPE( 67 ), CONVERT_CONC( 67 ) / 67, 'GC', F / ! TLP1\n DATA CGRID_INDEX( 68 ), SPECIES_TYPE( 68 ), CONVERT_CONC( 68 ) / 68, 'GC', F / ! CSL\n DATA CGRID_INDEX( 69 ), SPECIES_TYPE( 69 ), CONVERT_CONC( 69 ) / 69, 'GC', F / ! TOLRO2\n DATA CGRID_INDEX( 70 ), SPECIES_TYPE( 70 ), CONVERT_CONC( 70 ) / 70, 'GC', F / ! XYM\n DATA CGRID_INDEX( 71 ), SPECIES_TYPE( 71 ), CONVERT_CONC( 71 ) / 71, 'GC', F / ! XY2\n DATA CGRID_INDEX( 72 ), SPECIES_TYPE( 72 ), CONVERT_CONC( 72 ) / 72, 'GC', F / ! XYL1\n DATA CGRID_INDEX( 73 ), SPECIES_TYPE( 73 ), CONVERT_CONC( 73 ) / 73, 'GC', F / ! XYLRO2\n DATA CGRID_INDEX( 74 ), SPECIES_TYPE( 74 ), CONVERT_CONC( 74 ) / 74, 'GC', F / ! XYP\n DATA CGRID_INDEX( 75 ), SPECIES_TYPE( 75 ), CONVERT_CONC( 75 ) / 75, 'GC', F / ! XYO\n DATA CGRID_INDEX( 76 ), SPECIES_TYPE( 76 ), CONVERT_CONC( 76 ) / 76, 'GC', F / ! XYO2\n DATA CGRID_INDEX( 77 ), SPECIES_TYPE( 77 ), CONVERT_CONC( 77 ) / 77, 'GC', F / ! ISO\n DATA CGRID_INDEX( 78 ), SPECIES_TYPE( 78 ), CONVERT_CONC( 78 ) / 78, 'GC', F / ! ISOP\n DATA CGRID_INDEX( 79 ), SPECIES_TYPE( 79 ), CONVERT_CONC( 79 ) / 79, 'GC', F / ! ISOPRXN\n DATA CGRID_INDEX( 80 ), SPECIES_TYPE( 80 ), CONVERT_CONC( 80 ) / 80, 'GC', F / ! API\n DATA CGRID_INDEX( 81 ), SPECIES_TYPE( 81 ), CONVERT_CONC( 81 ) / 81, 'GC', F / ! APIP\n DATA CGRID_INDEX( 82 ), SPECIES_TYPE( 82 ), CONVERT_CONC( 82 ) / 82, 'GC', F / ! TRPRXN\n DATA CGRID_INDEX( 83 ), SPECIES_TYPE( 83 ), CONVERT_CONC( 83 ) / 83, 'GC', F / ! LIM\n DATA CGRID_INDEX( 84 ), SPECIES_TYPE( 84 ), CONVERT_CONC( 84 ) / 84, 'GC', F / ! LIMP\n DATA CGRID_INDEX( 85 ), SPECIES_TYPE( 85 ), CONVERT_CONC( 85 ) / 85, 'GC', F / ! RCO3\n DATA CGRID_INDEX( 86 ), SPECIES_TYPE( 86 ), CONVERT_CONC( 86 ) / 86, 'GC', F / ! ACTP\n DATA CGRID_INDEX( 87 ), SPECIES_TYPE( 87 ), CONVERT_CONC( 87 ) / 87, 'GC', F / ! MEKP\n DATA CGRID_INDEX( 88 ), SPECIES_TYPE( 88 ), CONVERT_CONC( 88 ) / 88, 'GC', F / ! KETP\n DATA CGRID_INDEX( 89 ), SPECIES_TYPE( 89 ), CONVERT_CONC( 89 ) / 89, 'GC', F / ! MCP\n DATA CGRID_INDEX( 90 ), SPECIES_TYPE( 90 ), CONVERT_CONC( 90 ) / 90, 'GC', F / ! MVKP\n DATA CGRID_INDEX( 91 ), SPECIES_TYPE( 91 ), CONVERT_CONC( 91 ) / 91, 'GC', F / ! UALP\n DATA CGRID_INDEX( 92 ), SPECIES_TYPE( 92 ), CONVERT_CONC( 92 ) / 92, 'GC', F / ! DCB3\n DATA CGRID_INDEX( 93 ), SPECIES_TYPE( 93 ), CONVERT_CONC( 93 ) / 93, 'GC', F / ! BALP\n DATA CGRID_INDEX( 94 ), SPECIES_TYPE( 94 ), CONVERT_CONC( 94 ) / 94, 'GC', F / ! ADDC\n DATA CGRID_INDEX( 95 ), SPECIES_TYPE( 95 ), CONVERT_CONC( 95 ) / 95, 'GC', F / ! MCT\n DATA CGRID_INDEX( 96 ), SPECIES_TYPE( 96 ), CONVERT_CONC( 96 ) / 96, 'GC', F / ! MCTO\n DATA CGRID_INDEX( 97 ), SPECIES_TYPE( 97 ), CONVERT_CONC( 97 ) / 97, 'GC', F / ! MOH\n DATA CGRID_INDEX( 98 ), SPECIES_TYPE( 98 ), CONVERT_CONC( 98 ) / 98, 'GC', F / ! EOH\n DATA CGRID_INDEX( 99 ), SPECIES_TYPE( 99 ), CONVERT_CONC( 99 ) / 99, 'GC', F / ! ROH\n DATA CGRID_INDEX( 100 ), SPECIES_TYPE( 100 ), CONVERT_CONC( 100 ) / 100, 'GC', F / ! ETEG\n DATA CGRID_INDEX( 101 ), SPECIES_TYPE( 101 ), CONVERT_CONC( 101 ) / 101, 'GC', F / ! ISHP\n DATA CGRID_INDEX( 102 ), SPECIES_TYPE( 102 ), CONVERT_CONC( 102 ) / 102, 'GC', F / ! IEPOX\n DATA CGRID_INDEX( 103 ), SPECIES_TYPE( 103 ), CONVERT_CONC( 103 ) / 103, 'GC', F / ! MAHP\n DATA CGRID_INDEX( 104 ), SPECIES_TYPE( 104 ), CONVERT_CONC( 104 ) / 104, 'GC', F / ! ORA2\n DATA CGRID_INDEX( 105 ), SPECIES_TYPE( 105 ), CONVERT_CONC( 105 ) / 105, 'GC', F / ! ORAP\n DATA CGRID_INDEX( 106 ), SPECIES_TYPE( 106 ), CONVERT_CONC( 106 ) / 106, 'GC', F / ! PPN\n DATA CGRID_INDEX( 107 ), SPECIES_TYPE( 107 ), CONVERT_CONC( 107 ) / 107, 'GC', F / ! MPAN\n DATA CGRID_INDEX( 108 ), SPECIES_TYPE( 108 ), CONVERT_CONC( 108 ) / 108, 'GC', F / ! NALD\n DATA CGRID_INDEX( 109 ), SPECIES_TYPE( 109 ), CONVERT_CONC( 109 ) / 109, 'GC', F / ! ISON\n DATA CGRID_INDEX( 110 ), SPECIES_TYPE( 110 ), CONVERT_CONC( 110 ) / 110, 'GC', F / ! MCTP\n DATA CGRID_INDEX( 111 ), SPECIES_TYPE( 111 ), CONVERT_CONC( 111 ) / 111, 'GC', F / ! OLNN\n DATA CGRID_INDEX( 112 ), SPECIES_TYPE( 112 ), CONVERT_CONC( 112 ) / 112, 'GC', F / ! OLND\n DATA CGRID_INDEX( 113 ), SPECIES_TYPE( 113 ), CONVERT_CONC( 113 ) / 113, 'GC', F / ! ADCN\n DATA CGRID_INDEX( 114 ), SPECIES_TYPE( 114 ), CONVERT_CONC( 114 ) / 114, 'GC', F / ! TOLP\n DATA CGRID_INDEX( 115 ), SPECIES_TYPE( 115 ), CONVERT_CONC( 115 ) / 115, 'GC', F / ! PER1\n DATA CGRID_INDEX( 116 ), SPECIES_TYPE( 116 ), CONVERT_CONC( 116 ) / 116, 'GC', F / ! XYLP\n DATA CGRID_INDEX( 117 ), SPECIES_TYPE( 117 ), CONVERT_CONC( 117 ) / 117, 'GC', F / ! PER2\n DATA CGRID_INDEX( 118 ), SPECIES_TYPE( 118 ), CONVERT_CONC( 118 ) / 118, 'GC', F / ! XYOP\n DATA CGRID_INDEX( 119 ), SPECIES_TYPE( 119 ), CONVERT_CONC( 119 ) / 119, 'GC', F / ! BAL1\n DATA CGRID_INDEX( 120 ), SPECIES_TYPE( 120 ), CONVERT_CONC( 120 ) / 120, 'GC', F / ! BAL2\n DATA CGRID_INDEX( 121 ), SPECIES_TYPE( 121 ), CONVERT_CONC( 121 ) / 121, 'GC', F / ! TOLNRXN\n DATA CGRID_INDEX( 122 ), SPECIES_TYPE( 122 ), CONVERT_CONC( 122 ) / 122, 'GC', F / ! TOLHRXN\n DATA CGRID_INDEX( 123 ), SPECIES_TYPE( 123 ), CONVERT_CONC( 123 ) / 123, 'GC', F / ! XYLNRXN\n DATA CGRID_INDEX( 124 ), SPECIES_TYPE( 124 ), CONVERT_CONC( 124 ) / 124, 'GC', F / ! XYLHRXN\n DATA CGRID_INDEX( 125 ), SPECIES_TYPE( 125 ), CONVERT_CONC( 125 ) / 125, 'GC', F / ! BNZNRXN\n DATA CGRID_INDEX( 126 ), SPECIES_TYPE( 126 ), CONVERT_CONC( 126 ) / 126, 'GC', F / ! BNZHRXN\n DATA CGRID_INDEX( 127 ), SPECIES_TYPE( 127 ), CONVERT_CONC( 127 ) / 127, 'GC', F / ! SESQ\n DATA CGRID_INDEX( 128 ), SPECIES_TYPE( 128 ), CONVERT_CONC( 128 ) / 128, 'GC', F / ! SESQRXN\n DATA CGRID_INDEX( 129 ), SPECIES_TYPE( 129 ), CONVERT_CONC( 129 ) / 129, 'GC', F / ! NAPH\n DATA CGRID_INDEX( 130 ), SPECIES_TYPE( 130 ), CONVERT_CONC( 130 ) / 130, 'GC', F / ! PAHRO2\n DATA CGRID_INDEX( 131 ), SPECIES_TYPE( 131 ), CONVERT_CONC( 131 ) / 131, 'GC', F / ! PAHNRXN\n DATA CGRID_INDEX( 132 ), SPECIES_TYPE( 132 ), CONVERT_CONC( 132 ) / 132, 'GC', F / ! PAHHRXN\n DATA CGRID_INDEX( 133 ), SPECIES_TYPE( 133 ), CONVERT_CONC( 133 ) / 133, 'GC', F / ! SOAALK\n DATA CGRID_INDEX( 134 ), SPECIES_TYPE( 134 ), CONVERT_CONC( 134 ) / 134, 'GC', F / ! ALKRXN\n DATA CGRID_INDEX( 135 ), SPECIES_TYPE( 135 ), CONVERT_CONC( 135 ) / 210, 'AE', T / ! AISO3J\n DATA CGRID_INDEX( 136 ), SPECIES_TYPE( 136 ), CONVERT_CONC( 136 ) / 164, 'AE', T / ! AXYL1J\n DATA CGRID_INDEX( 137 ), SPECIES_TYPE( 137 ), CONVERT_CONC( 137 ) / 211, 'AE', T / ! AOLGAJ\n DATA CGRID_INDEX( 138 ), SPECIES_TYPE( 138 ), CONVERT_CONC( 138 ) / 165, 'AE', T / ! AXYL2J\n DATA CGRID_INDEX( 139 ), SPECIES_TYPE( 139 ), CONVERT_CONC( 139 ) / 167, 'AE', T / ! ATOL1J\n DATA CGRID_INDEX( 140 ), SPECIES_TYPE( 140 ), CONVERT_CONC( 140 ) / 168, 'AE', T / ! ATOL2J\n DATA CGRID_INDEX( 141 ), SPECIES_TYPE( 141 ), CONVERT_CONC( 141 ) / 170, 'AE', T / ! ABNZ1J\n DATA CGRID_INDEX( 142 ), SPECIES_TYPE( 142 ), CONVERT_CONC( 142 ) / 171, 'AE', T / ! ABNZ2J\n DATA CGRID_INDEX( 143 ), SPECIES_TYPE( 143 ), CONVERT_CONC( 143 ) / 176, 'AE', T / ! ATRP1J\n DATA CGRID_INDEX( 144 ), SPECIES_TYPE( 144 ), CONVERT_CONC( 144 ) / 212, 'AE', T / ! AOLGBJ\n DATA CGRID_INDEX( 145 ), SPECIES_TYPE( 145 ), CONVERT_CONC( 145 ) / 177, 'AE', T / ! ATRP2J\n DATA CGRID_INDEX( 146 ), SPECIES_TYPE( 146 ), CONVERT_CONC( 146 ) / 178, 'AE', T / ! AISO1J\n DATA CGRID_INDEX( 147 ), SPECIES_TYPE( 147 ), CONVERT_CONC( 147 ) / 179, 'AE', T / ! AISO2J\n DATA CGRID_INDEX( 148 ), SPECIES_TYPE( 148 ), CONVERT_CONC( 148 ) / 180, 'AE', T / ! ASQTJ\n DATA CGRID_INDEX( 149 ), SPECIES_TYPE( 149 ), CONVERT_CONC( 149 ) / 173, 'AE', T / ! APAH1J\n DATA CGRID_INDEX( 150 ), SPECIES_TYPE( 150 ), CONVERT_CONC( 150 ) / 174, 'AE', T / ! APAH2J\n DATA CGRID_INDEX( 151 ), SPECIES_TYPE( 151 ), CONVERT_CONC( 151 ) / 162, 'AE', T / ! AALK1J\n DATA CGRID_INDEX( 152 ), SPECIES_TYPE( 152 ), CONVERT_CONC( 152 ) / 163, 'AE', T / ! AALK2J\n DATA CGRID_INDEX( 153 ), SPECIES_TYPE( 153 ), CONVERT_CONC( 153 ) / 213, 'AE', T / ! APOCI\n DATA CGRID_INDEX( 154 ), SPECIES_TYPE( 154 ), CONVERT_CONC( 154 ) / 215, 'AE', T / ! APNCOMI\n DATA CGRID_INDEX( 155 ), SPECIES_TYPE( 155 ), CONVERT_CONC( 155 ) / 214, 'AE', T / ! APOCJ\n DATA CGRID_INDEX( 156 ), SPECIES_TYPE( 156 ), CONVERT_CONC( 156 ) / 216, 'AE', T / ! APNCOMJ\n DATA CGRID_INDEX( 157 ), SPECIES_TYPE( 157 ), CONVERT_CONC( 157 ) / 145, 'GC', F / ! PCVOC\n DATA CGRID_INDEX( 158 ), SPECIES_TYPE( 158 ), CONVERT_CONC( 158 ) / 146, 'GC', F / ! PCSOARXN\n DATA CGRID_INDEX( 159 ), SPECIES_TYPE( 159 ), CONVERT_CONC( 159 ) / 135, 'GC', F / ! VLVPO1\n DATA CGRID_INDEX( 160 ), SPECIES_TYPE( 160 ), CONVERT_CONC( 160 ) / 136, 'GC', F / ! VSVPO1\n DATA CGRID_INDEX( 161 ), SPECIES_TYPE( 161 ), CONVERT_CONC( 161 ) / 137, 'GC', F / ! VSVPO2\n DATA CGRID_INDEX( 162 ), SPECIES_TYPE( 162 ), CONVERT_CONC( 162 ) / 138, 'GC', F / ! VSVPO3\n DATA CGRID_INDEX( 163 ), SPECIES_TYPE( 163 ), CONVERT_CONC( 163 ) / 139, 'GC', F / ! VIVPO1\n DATA CGRID_INDEX( 164 ), SPECIES_TYPE( 164 ), CONVERT_CONC( 164 ) / 140, 'GC', F / ! VLVOO1\n DATA CGRID_INDEX( 165 ), SPECIES_TYPE( 165 ), CONVERT_CONC( 165 ) / 141, 'GC', F / ! VLVOO2\n DATA CGRID_INDEX( 166 ), SPECIES_TYPE( 166 ), CONVERT_CONC( 166 ) / 143, 'GC', F / ! VSVOO2\n DATA CGRID_INDEX( 167 ), SPECIES_TYPE( 167 ), CONVERT_CONC( 167 ) / 144, 'GC', F / ! VSVOO3\n DATA CGRID_INDEX( 168 ), SPECIES_TYPE( 168 ), CONVERT_CONC( 168 ) / 142, 'GC', F / ! VSVOO1\n\n! The below integers define the locations of mechanism species in the solver\n! concentration array.\n\n INTEGER :: INDEX_O3 = 1\n INTEGER :: INDEX_O3P = 2\n INTEGER :: INDEX_O1D = 3\n INTEGER :: INDEX_H2O2 = 4\n INTEGER :: INDEX_HO = 5\n INTEGER :: INDEX_NO2 = 6\n INTEGER :: INDEX_NO = 7\n INTEGER :: INDEX_NO3 = 8\n INTEGER :: INDEX_HONO = 9\n INTEGER :: INDEX_HNO3 = 10\n INTEGER :: INDEX_HNO4 = 11\n INTEGER :: INDEX_HO2 = 12\n INTEGER :: INDEX_HCHO = 13\n INTEGER :: INDEX_CO = 14\n INTEGER :: INDEX_ACD = 15\n INTEGER :: INDEX_MO2 = 16\n INTEGER :: INDEX_ALD = 17\n INTEGER :: INDEX_ETHP = 18\n INTEGER :: INDEX_ACT = 19\n INTEGER :: INDEX_ACO3 = 20\n INTEGER :: INDEX_UALD = 21\n INTEGER :: INDEX_KET = 22\n INTEGER :: INDEX_MEK = 23\n INTEGER :: INDEX_HKET = 24\n INTEGER :: INDEX_MACR = 25\n INTEGER :: INDEX_MACP = 26\n INTEGER :: INDEX_XO2 = 27\n INTEGER :: INDEX_MVK = 28\n INTEGER :: INDEX_GLY = 29\n INTEGER :: INDEX_MGLY = 30\n INTEGER :: INDEX_DCB1 = 31\n INTEGER :: INDEX_DCB2 = 32\n INTEGER :: INDEX_BALD = 33\n INTEGER :: INDEX_CHO = 34\n INTEGER :: INDEX_OP1 = 35\n INTEGER :: INDEX_OP2 = 36\n INTEGER :: INDEX_PAA = 37\n INTEGER :: INDEX_ONIT = 38\n INTEGER :: INDEX_PAN = 39\n INTEGER :: INDEX_N2O5 = 40\n INTEGER :: INDEX_SO2 = 41\n INTEGER :: INDEX_SULF = 42\n INTEGER :: INDEX_SULRXN = 43\n INTEGER :: INDEX_ETH = 44\n INTEGER :: INDEX_HC3 = 45\n INTEGER :: INDEX_HC3P = 46\n INTEGER :: INDEX_HC5 = 47\n INTEGER :: INDEX_HC5P = 48\n INTEGER :: INDEX_HC8 = 49\n INTEGER :: INDEX_HC8P = 50\n INTEGER :: INDEX_ETE = 51\n INTEGER :: INDEX_ETEP = 52\n INTEGER :: INDEX_OLT = 53\n INTEGER :: INDEX_OLTP = 54\n INTEGER :: INDEX_OLI = 55\n INTEGER :: INDEX_OLIP = 56\n INTEGER :: INDEX_DIEN = 57\n INTEGER :: INDEX_ACE = 58\n INTEGER :: INDEX_ORA1 = 59\n INTEGER :: INDEX_BENZENE = 60\n INTEGER :: INDEX_BENP = 61\n INTEGER :: INDEX_EPX = 62\n INTEGER :: INDEX_PHEN = 63\n INTEGER :: INDEX_BENZRO2 = 64\n INTEGER :: INDEX_TOL = 65\n INTEGER :: INDEX_TR2 = 66\n INTEGER :: INDEX_TLP1 = 67\n INTEGER :: INDEX_CSL = 68\n INTEGER :: INDEX_TOLRO2 = 69\n INTEGER :: INDEX_XYM = 70\n INTEGER :: INDEX_XY2 = 71\n INTEGER :: INDEX_XYL1 = 72\n INTEGER :: INDEX_XYLRO2 = 73\n INTEGER :: INDEX_XYP = 74\n INTEGER :: INDEX_XYO = 75\n INTEGER :: INDEX_XYO2 = 76\n INTEGER :: INDEX_ISO = 77\n INTEGER :: INDEX_ISOP = 78\n INTEGER :: INDEX_ISOPRXN = 79\n INTEGER :: INDEX_API = 80\n INTEGER :: INDEX_APIP = 81\n INTEGER :: INDEX_TRPRXN = 82\n INTEGER :: INDEX_LIM = 83\n INTEGER :: INDEX_LIMP = 84\n INTEGER :: INDEX_RCO3 = 85\n INTEGER :: INDEX_ACTP = 86\n INTEGER :: INDEX_MEKP = 87\n INTEGER :: INDEX_KETP = 88\n INTEGER :: INDEX_MCP = 89\n INTEGER :: INDEX_MVKP = 90\n INTEGER :: INDEX_UALP = 91\n INTEGER :: INDEX_DCB3 = 92\n INTEGER :: INDEX_BALP = 93\n INTEGER :: INDEX_ADDC = 94\n INTEGER :: INDEX_MCT = 95\n INTEGER :: INDEX_MCTO = 96\n INTEGER :: INDEX_MOH = 97\n INTEGER :: INDEX_EOH = 98\n INTEGER :: INDEX_ROH = 99\n INTEGER :: INDEX_ETEG = 100\n INTEGER :: INDEX_ISHP = 101\n INTEGER :: INDEX_IEPOX = 102\n INTEGER :: INDEX_MAHP = 103\n INTEGER :: INDEX_ORA2 = 104\n INTEGER :: INDEX_ORAP = 105\n INTEGER :: INDEX_PPN = 106\n INTEGER :: INDEX_MPAN = 107\n INTEGER :: INDEX_NALD = 108\n INTEGER :: INDEX_ISON = 109\n INTEGER :: INDEX_MCTP = 110\n INTEGER :: INDEX_OLNN = 111\n INTEGER :: INDEX_OLND = 112\n INTEGER :: INDEX_ADCN = 113\n INTEGER :: INDEX_TOLP = 114\n INTEGER :: INDEX_PER1 = 115\n INTEGER :: INDEX_XYLP = 116\n INTEGER :: INDEX_PER2 = 117\n INTEGER :: INDEX_XYOP = 118\n INTEGER :: INDEX_BAL1 = 119\n INTEGER :: INDEX_BAL2 = 120\n INTEGER :: INDEX_TOLNRXN = 121\n INTEGER :: INDEX_TOLHRXN = 122\n INTEGER :: INDEX_XYLNRXN = 123\n INTEGER :: INDEX_XYLHRXN = 124\n INTEGER :: INDEX_BNZNRXN = 125\n INTEGER :: INDEX_BNZHRXN = 126\n INTEGER :: INDEX_SESQ = 127\n INTEGER :: INDEX_SESQRXN = 128\n INTEGER :: INDEX_NAPH = 129\n INTEGER :: INDEX_PAHRO2 = 130\n INTEGER :: INDEX_PAHNRXN = 131\n INTEGER :: INDEX_PAHHRXN = 132\n INTEGER :: INDEX_SOAALK = 133\n INTEGER :: INDEX_ALKRXN = 134\n INTEGER :: INDEX_AISO3J = 135\n INTEGER :: INDEX_AXYL1J = 136\n INTEGER :: INDEX_AOLGAJ = 137\n INTEGER :: INDEX_AXYL2J = 138\n INTEGER :: INDEX_ATOL1J = 139\n INTEGER :: INDEX_ATOL2J = 140\n INTEGER :: INDEX_ABNZ1J = 141\n INTEGER :: INDEX_ABNZ2J = 142\n INTEGER :: INDEX_ATRP1J = 143\n INTEGER :: INDEX_AOLGBJ = 144\n INTEGER :: INDEX_ATRP2J = 145\n INTEGER :: INDEX_AISO1J = 146\n INTEGER :: INDEX_AISO2J = 147\n INTEGER :: INDEX_ASQTJ = 148\n INTEGER :: INDEX_APAH1J = 149\n INTEGER :: INDEX_APAH2J = 150\n INTEGER :: INDEX_AALK1J = 151\n INTEGER :: INDEX_AALK2J = 152\n INTEGER :: INDEX_APOCI = 153\n INTEGER :: INDEX_APNCOMI = 154\n INTEGER :: INDEX_APOCJ = 155\n INTEGER :: INDEX_APNCOMJ = 156\n INTEGER :: INDEX_PCVOC = 157\n INTEGER :: INDEX_PCSOARXN = 158\n INTEGER :: INDEX_VLVPO1 = 159\n INTEGER :: INDEX_VSVPO1 = 160\n INTEGER :: INDEX_VSVPO2 = 161\n INTEGER :: INDEX_VSVPO3 = 162\n INTEGER :: INDEX_VIVPO1 = 163\n INTEGER :: INDEX_VLVOO1 = 164\n INTEGER :: INDEX_VLVOO2 = 165\n INTEGER :: INDEX_VSVOO2 = 166\n INTEGER :: INDEX_VSVOO3 = 167\n INTEGER :: INDEX_VSVOO1 = 168\n\n INTEGER, PARAMETER :: N_ACT_SP = 168\n\n INTEGER, PARAMETER :: NRXNS = 411\n\n INTEGER, PARAMETER :: ONE_REACT_REACTIONS = 0\n\n INTEGER, PARAMETER :: TWO_REACT_REACTIONS = 0\n\n INTEGER, PARAMETER :: THREE_REACT_REACTIONS = 0\n\n INTEGER, PARAMETER :: ZERO_REACT_REACTIONS = 0\n\n LOGICAL, PARAMETER :: UNITARY_REACTIONS = .FALSE.\n\n INTEGER, PARAMETER :: ONE_REACT_START = 0\n\n INTEGER, PARAMETER :: ONE_REACT_STOP = -1\n\n LOGICAL, PARAMETER :: BINARY_REACTIONS = .FALSE.\n\n INTEGER, PARAMETER :: TWO_REACT_START = 0\n\n INTEGER, PARAMETER :: TWO_REACT_STOP = -1\n\n LOGICAL, PARAMETER :: TERNARY_REACTIONS = .FALSE.\n\n INTEGER, PARAMETER :: THREE_REACT_START = 0\n\n INTEGER, PARAMETER :: THREE_REACT_STOP = -1\n\n LOGICAL, PARAMETER :: NULL_REACTIONS = .FALSE.\n\n INTEGER, PARAMETER :: ZERO_REACT_START = 0\n\n INTEGER, PARAMETER :: ZERO_REACT_STOP = -1\n\n INTEGER, PARAMETER :: NSUNLIGHT_RXNS = 34\n\n INTEGER, PARAMETER :: NTHERMAL_RXNS = 377\n\n INTEGER, PARAMETER :: KUNITS = 2\n\n INTEGER :: IRXXN\n\n INTEGER, PARAMETER :: NMPHOT = 33\n INTEGER :: IPH( NMPHOT,3 )\n\n DATA ( IPH( IRXXN,1 ), IRXXN = 1, NMPHOT ) / & \n & 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, & \n & 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, & \n & 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, & \n & 31, 32, 33/\n\n DATA ( IPH( IRXXN,2 ), IRXXN = 1, NMPHOT ) / & \n & 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, & \n & 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, & \n & 21, 22, 23, 24, 24, 24, 25, 26, 26, 27, & \n & 28, 29, 30/\n\n DATA ( IPH( IRXXN,3 ), IRXXN = 1, NMPHOT ) / & \n & 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, & \n & 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, & \n & 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, & \n & 31, 32, 33/\n\n REAL( 8 ) :: RTDAT( 3,NRXNS )\n\n INTEGER, PARAMETER :: NFALLOFF = 17\n REAL( 8 ) :: RFDAT( 5,NFALLOFF )\n\n INTEGER :: KTYPE( NRXNS )\n\n DATA ( KTYPE( IRXXN ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 3, 3, 3, 3, 2, 3, 3, & ! 3 \n & 3, 1, 3, 3, 9, 9, 3, 10, 10, 3, & ! 4 \n & 9, 3, 3, 3, 10, 10, 8, 1, 1, 3, & ! 5 \n & 3, 3, 10, 5, 1, 10, 5, 3, 10, 9, & ! 6 \n & 3, 3, 3, 3, 3, 10, 3, 3, 3, 10, & ! 7 \n & 3, 3, 1, 1, 1, 3, 3, 3, 3, 3, & ! 8 \n & 3, 4, 3, 3, 1, 3, 3, 3, 1, 3, & ! 9 \n & 3, 3, 1, 3, 3, 3, 3, 3, 3, 3, & ! O \n & 3, 1, 3, 3, 1, 1, 1, 3, 3, 1, & ! 1 \n & 1, 1, 3, 3, 1, 3, 3, 3, 3, 3, & ! 2 \n & 3, 3, 3, 3, 1, 1, 1, 1, 1, 1, & ! 3 \n & 4, 3, 3, 1, 3, 3, 1, 3, 3, 3, & ! 4 \n & 1, 3, 3, 3, 1, 1, 3, 1, 3, 1, & ! 5 \n & 1, 1, 1, 1, 1, 10, 5, 10, 5, 3, & ! 6 \n & 3, 3, 3, 1, 1, 1, 1, 1, 1, 3, & ! 7 \n & 1, 3, 3, 1, 3, 3, 3, 3, 1, 1, & ! 8 \n & 3, 3, 3, 1, 1, 3, 3, 3, 3, 1, & ! 9 \n & 1, 3, 3, 1, 1, 1, 3, 1, 1, 1, & ! O \n & 1, 3, 3, 3, 3, 3, 3, 3, 3, 3, & ! 1 \n & 3, 3, 3, 3, 3, 3, 3, 3, 1, 1, & ! 2 \n & 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, & ! 3 \n & 1, 3, 3, 3, 3, 3, 3, 3, 3, 3, & ! 4 \n & 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, & ! 5 \n & 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, & ! 6 \n & 3, 3, 3, 1, 3, 3, 3, 3, 3, 3, & ! 7 \n & 3, 3, 1, 3, 3, 3, 3, 3, 3, 3, & ! 8 \n & 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, & ! 9 \n & 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, & ! O \n & 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, & ! 1 \n & 3, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! 2 \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! 3 \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! 4 \n & 1, 1, 1, 1, 1, 1, 1, 3, 3, 3, & ! 5 \n & 1, 3, 3, 3, 3, 3, 3, 3, 3, 1, & ! 6 \n & 1, 1, 1, 3, 3, 3, 3, -1, -1, 12, & ! 7 \n & -1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! 8 \n & 1, 1, 1, 1, 1, 1, 1, -1, 1, -1, & ! 9 \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! O \n & 1/ ! 1 \n\n INTEGER :: IRXBITS( NRXNS )\n\n DATA ( IRXBITS( IRXXN ), IRXXN = 1, NRXNS ) / & \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 1 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 2 \n & 2, 2, 2, 0, 0, 0, 0, 20, 0, 16, & ! 3 \n & 32, 8, 128, 0, 0, 8, 0, 1, 1, 0, & ! 4 \n & 0, 16, 0, 0, 1, 1, 0, 0, 0, 0, & ! 5 \n & 0, 0, 1, 0, 8, 1, 0, 0, 1, 0, & ! 6 \n & 64, 0, 0, 0, 0, 1, 0, 0, 0, 1, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 1, 1, 2, & ! 7 \n & 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0/ ! 1 \n\n INTEGER, PARAMETER :: NTERMS_JACOB = 28224\n\n INTEGER, PARAMETER :: NSTEPS_JACOB = 822\n\n INTEGER :: IORDER( NRXNS )\n\n DATA ( IORDER( IRXXN ), IRXXN = 1, NRXNS ) / & \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! O \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! 1 \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! 2 \n & 1, 1, 1, 2, 2, 2, 2, 3, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 3, 2, 2, 2, 2, & ! 4 \n & 2, 3, 2, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 2, 2, 2, 1, 2, 2, 1, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 9 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 1 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 2 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 1, & ! 5 \n & 1, 1, 1, 1, 1, 2, 1, 2, 1, 2, & ! 6 \n & 1, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 9 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 1 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 2 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 9 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 1 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 2 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 2, 1, 1, 1, & ! 7 \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! 8 \n & 1, 1, 1, 1, 1, 1, 2, 2, 2, 2, & ! 9 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 2/ ! 1 \n\n INTEGER, PARAMETER :: KTN1 = 131\n INTEGER :: KRX1( KTN1 )\n\n DATA ( KRX1( IRXXN ), IRXXN = 1, KTN1 ) / & \n & 42, 58, 59, 65, 83, 84, 85, 95, 99, 103, & ! O \n & 112, 115, 116, 117, 120, 121, 122, 125, 135, 136, & ! 1 \n & 137, 138, 139, 140, 144, 147, 151, 155, 156, 158, & ! 2 \n & 160, 161, 162, 163, 164, 165, 174, 175, 176, 177, & ! 3 \n & 178, 179, 181, 184, 189, 190, 194, 195, 200, 201, & ! 4 \n & 204, 205, 206, 208, 209, 210, 211, 229, 230, 241, & ! 5 \n & 274, 283, 322, 323, 324, 325, 326, 327, 328, 329, & ! 6 \n & 330, 331, 332, 333, 334, 335, 336, 337, 338, 339, & ! 7 \n & 340, 341, 342, 343, 344, 345, 346, 347, 348, 349, & ! 8 \n & 350, 351, 352, 353, 354, 355, 356, 357, 361, 370, & ! 9 \n & 371, 372, 373, 382, 383, 384, 385, 386, 387, 388, & ! O \n & 389, 390, 391, 392, 393, 394, 395, 396, 397, 399, & ! 1 \n & 401, 402, 403, 404, 405, 406, 407, 408, 409, 410, & ! 2 \n & 411/ ! 3 \n\n INTEGER, PARAMETER :: KTN2 = 1\n INTEGER :: KRX2( KTN2 )\n\n DATA ( KRX2( IRXXN ), IRXXN = 1, KTN2 ) / & \n & 38/\n\n INTEGER, PARAMETER :: KTN3 = 218\n INTEGER :: KRX3( KTN3 )\n\n DATA ( KRX3( IRXXN ), IRXXN = 1, KTN3 ) / & \n & 34, 35, 36, 37, 39, 40, 41, 43, 44, 47, & ! O \n & 50, 52, 53, 54, 60, 61, 62, 68, 71, 72, & ! 1 \n & 73, 74, 75, 77, 78, 79, 81, 82, 86, 87, & ! 2 \n & 88, 89, 90, 91, 93, 94, 96, 97, 98, 100, & ! 3 \n & 101, 102, 104, 105, 106, 107, 108, 109, 110, 111, & ! 4 \n & 113, 114, 118, 119, 123, 124, 126, 127, 128, 129, & ! 5 \n & 130, 131, 132, 133, 134, 142, 143, 145, 146, 148, & ! 6 \n & 149, 150, 152, 153, 154, 157, 159, 170, 171, 172, & ! 7 \n & 173, 180, 182, 183, 185, 186, 187, 188, 191, 192, & ! 8 \n & 193, 196, 197, 198, 199, 202, 203, 207, 212, 213, & ! 9 \n & 214, 215, 216, 217, 218, 219, 220, 221, 222, 223, & ! O \n & 224, 225, 226, 227, 228, 231, 232, 233, 234, 235, & ! 1 \n & 236, 237, 238, 239, 240, 242, 243, 244, 245, 246, & ! 2 \n & 247, 248, 249, 250, 251, 252, 253, 254, 255, 256, & ! 3 \n & 257, 258, 259, 260, 261, 262, 263, 264, 265, 266, & ! 4 \n & 267, 268, 269, 270, 271, 272, 273, 275, 276, 277, & ! 5 \n & 278, 279, 280, 281, 282, 284, 285, 286, 287, 288, & ! 6 \n & 289, 290, 291, 292, 293, 294, 295, 296, 297, 298, & ! 7 \n & 299, 300, 301, 302, 303, 304, 305, 306, 307, 308, & ! 8 \n & 309, 310, 311, 312, 313, 314, 315, 316, 317, 318, & ! 9 \n & 319, 320, 321, 358, 359, 360, 362, 363, 364, 365, & ! O \n & 366, 367, 368, 369, 374, 375, 376, 377/ ! 1 \n\n INTEGER, PARAMETER :: KTN4 = 2\n INTEGER :: KRX4( KTN4 )\n\n DATA ( KRX4( IRXXN ), IRXXN = 1, KTN4 ) / & \n & 92, 141/\n\n INTEGER, PARAMETER :: KTN5 = 4\n INTEGER :: KRX5( KTN5 )\n\n DATA ( KRX5( IRXXN ), IRXXN = 1, KTN5 ) / & \n & 64, 67, 167, 169/\n\n INTEGER, PARAMETER :: KTN6 = 0\n INTEGER :: KRX6( 1 )\n\n DATA KRX6( 1 ) / 0 /\n\n INTEGER, PARAMETER :: KTN7 = 0\n INTEGER :: KRX7( 1 )\n\n DATA KRX7( 1 ) / 0 /\n\n INTEGER, PARAMETER :: NWM = 1\n INTEGER :: NRXWM( NWM )\n\n DATA ( NRXWM( IRXXN ), IRXXN = 1, NWM ) / & \n & 38/\n REAL( 8 ), PARAMETER :: ATM_AIR = 1.00000D+06\n\n INTEGER, PARAMETER :: NWW = 3\n INTEGER :: NRXWW( NWW )\n\n DATA ( NRXWW( IRXXN ), IRXXN = 1, NWW ) / & \n & 42, 46, 65/\n\n INTEGER, PARAMETER :: NWO2 = 3\n INTEGER :: NRXWO2( NWO2 )\n\n DATA ( NRXWO2( IRXXN ), IRXXN = 1, NWO2 ) / & \n & 38, 40, 52/\n REAL( 8 ), PARAMETER :: ATM_O2 = 2.09500D+05\n\n INTEGER, PARAMETER :: NWN2 = 1\n INTEGER :: NRXWN2( NWN2 )\n\n DATA ( NRXWN2( IRXXN ), IRXXN = 1, NWN2 ) / & \n & 41/\n REAL( 8 ), PARAMETER :: ATM_N2 = 7.80800D+05\n\n INTEGER, PARAMETER :: NWCH4 = 1\n INTEGER :: NRXWCH4( NWCH4 )\n\n DATA ( NRXWCH4( IRXXN ), IRXXN = 1, NWCH4 ) / & \n & 71/\n REAL( 8 ), PARAMETER :: ATM_CH4 = 1.85000D+00\n\n INTEGER, PARAMETER :: NWH2 = 1\n INTEGER :: NRXWH2( NWH2 )\n\n DATA ( NRXWH2( IRXXN ), IRXXN = 1, NWH2 ) / & \n & 43/\n REAL( 8 ), PARAMETER :: ATM_H2 = 5.60000D-01\n\n INTEGER, PARAMETER :: MXPRD = 21\n INTEGER :: IRR( NRXNS,MXPRD+3 )\n\n DATA ( IRR( IRXXN, 1 ), IRXXN = 1, NRXNS ) / & \n & 1, 1, 4, 6, 8, 8, 9, 10, 11, 13, & ! O \n & 13, 15, 17, 19, 21, 23, 22, 24, 25, 28, & ! 1 \n & 29, 29, 29, 30, 31, 32, 33, 35, 36, 37, & ! 2 \n & 38, 39, 39, 1, 1, 1, 1, 2, 2, 3, & ! 3 \n & 3, 3, 5, 5, 12, 12, 4, 7, 7, 7, & ! 4 \n & 7, 7, 9, 6, 6, 6, 10, 8, 8, 8, & ! 5 \n & 8, 8, 8, 40, 40, 6, 11, 11, 41, 14, & ! 6 \n & 5, 44, 45, 47, 49, 51, 53, 55, 57, 58, & ! 7 \n & 60, 65, 70, 74, 75, 77, 80, 83, 13, 15, & ! 8 \n & 17, 19, 23, 22, 24, 25, 28, 21, 29, 30, & ! 9 \n & 31, 32, 92, 33, 63, 68, 62, 95, 97, 98, & ! O \n & 99, 100, 35, 36, 101, 103, 59, 104, 37, 39, & ! 1 \n & 106, 107, 38, 108, 109, 51, 53, 55, 57, 77, & ! 2 \n & 80, 83, 25, 28, 21, 31, 32, 92, 62, 96, & ! 3 \n & 51, 53, 55, 57, 77, 80, 83, 13, 15, 17, & ! 4 \n & 25, 21, 29, 30, 63, 68, 62, 95, 107, 66, & ! 5 \n & 114, 71, 116, 76, 118, 20, 39, 85, 106, 26, & ! 6 \n & 107, 16, 18, 46, 48, 50, 52, 54, 56, 61, & ! 7 \n & 67, 114, 115, 72, 116, 117, 118, 78, 81, 84, & ! 8 \n & 20, 85, 86, 87, 88, 26, 89, 90, 91, 93, & ! 9 \n & 119, 94, 110, 105, 111, 112, 113, 27, 120, 34, & ! O \n & 96, 16, 18, 46, 48, 50, 52, 54, 56, 61, & ! 1 \n & 67, 114, 115, 72, 116, 117, 118, 78, 81, 84, & ! 2 \n & 20, 85, 86, 87, 88, 26, 89, 90, 91, 94, & ! 3 \n & 34, 110, 105, 111, 112, 113, 27, 16, 18, 46, & ! 4 \n & 48, 50, 52, 54, 56, 61, 67, 114, 115, 72, & ! 5 \n & 116, 117, 118, 78, 81, 84, 20, 85, 86, 87, & ! 6 \n & 88, 26, 89, 90, 91, 93, 119, 94, 110, 105, & ! 7 \n & 111, 112, 113, 27, 18, 46, 48, 50, 52, 54, & ! 8 \n & 56, 61, 67, 114, 115, 72, 116, 117, 118, 78, & ! 9 \n & 81, 84, 20, 85, 86, 87, 88, 26, 89, 90, & ! O \n & 91, 93, 119, 94, 110, 105, 111, 112, 113, 27, & ! 1 \n & 85, 16, 18, 46, 48, 50, 52, 54, 56, 61, & ! 2 \n & 67, 114, 115, 72, 116, 117, 118, 78, 81, 84, & ! 3 \n & 20, 85, 86, 87, 88, 26, 89, 90, 91, 93, & ! 4 \n & 119, 94, 110, 105, 111, 112, 113, 111, 111, 112, & ! 5 \n & 27, 27, 27, 69, 69, 73, 73, 64, 64, 127, & ! 6 \n & 127, 127, 129, 130, 130, 133, 102, 40, 6, 1, & ! 7 \n & 102, 136, 138, 139, 140, 141, 142, 143, 145, 146, & ! 8 \n & 147, 148, 149, 150, 151, 152, 153, 154, 155, 156, & ! 9 \n & 157, 159, 160, 161, 162, 163, 164, 165, 168, 166, & ! O \n & 167/ ! 1 \n\n DATA ( IRR( IRXXN, 2 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 5, 12, 7, 6, 0, 1, 0, & ! 3 \n & 0, 0, 0, 12, 12, 12, 5, 2, 5, 12, & ! 4 \n & 12, 7, 5, 2, 2, 5, 5, 5, 12, 7, & ! 5 \n & 6, 8, 6, 0, 0, 12, 0, 5, 5, 5, & ! 6 \n & 0, 5, 5, 5, 5, 5, 5, 5, 5, 5, & ! 7 \n & 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, & ! 8 \n & 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, & ! 9 \n & 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, & ! O \n & 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, & ! 1 \n & 5, 5, 5, 5, 5, 1, 1, 1, 1, 1, & ! 2 \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! 3 \n & 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, & ! 4 \n & 8, 8, 8, 8, 8, 8, 8, 8, 8, 0, & ! 5 \n & 0, 0, 0, 0, 0, 6, 0, 6, 0, 6, & ! 6 \n & 0, 7, 7, 7, 7, 7, 7, 7, 7, 7, & ! 7 \n & 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, & ! 8 \n & 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, & ! 9 \n & 7, 7, 7, 7, 7, 7, 7, 7, 6, 6, & ! O \n & 6, 12, 12, 12, 12, 12, 12, 12, 12, 12, & ! 1 \n & 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, & ! 2 \n & 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, & ! 3 \n & 12, 12, 12, 12, 12, 12, 12, 16, 16, 16, & ! 4 \n & 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, & ! 5 \n & 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, & ! 6 \n & 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, & ! 7 \n & 16, 16, 16, 16, 20, 20, 20, 20, 20, 20, & ! 8 \n & 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, & ! 9 \n & 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, & ! O \n & 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, & ! 1 \n & 85, 8, 8, 8, 8, 8, 8, 8, 8, 8, & ! 2 \n & 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, & ! 3 \n & 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, & ! 4 \n & 8, 8, 8, 8, 8, 8, 8, 111, 112, 112, & ! 5 \n & 8, 85, 27, 7, 12, 7, 12, 7, 12, 1, & ! 6 \n & 5, 8, 5, 7, 12, 5, 5, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 5, 5, 5, 5, & ! 9 \n & 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, & ! O \n & 5/ ! 1 \n\n DATA ( IRR( IRXXN, 3 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0/ ! 1 \n\n DATA ( IRR( IRXXN, 4 ), IRXXN = 1, NRXNS ) / & \n & 2, 3, 5, 2, 7, 2, 5, 5, 5, 14, & ! O \n & 12, 12, 12, 16, 12, 16, 18, 12, 5, 16, & ! 1 \n & 14, 13, 12, 12, 12, 12, 34, 5, 5, 5, & ! 2 \n & 12, 20, 16, 12, 5, 6, 8, 1, 0, 2, & ! 3 \n & 2, 5, 12, 0, 4, 4, 12, 6, 9, 6, & ! 4 \n & 10, 6, 6, 7, 8, 10, 8, 12, 5, 6, & ! 5 \n & 7, 6, 40, 6, 10, 11, 12, 6, 12, 12, & ! 6 \n & 16, 18, 46, 48, 12, 52, 54, 56, 56, 5, & ! 7 \n & 12, 12, 12, 12, 12, 78, 81, 84, 12, 20, & ! 8 \n & 85, 86, 87, 88, 12, 26, 90, 20, 12, 20, & ! 9 \n & 12, 12, 12, 93, 12, 12, 12, 96, 12, 12, & ! O \n & 12, 12, 5, 5, 5, 26, 12, 16, 5, 27, & ! 1 \n & 27, 6, 46, 6, 108, 5, 5, 5, 2, 5, & ! 2 \n & 5, 5, 5, 5, 5, 5, 5, 5, 5, 110, & ! 3 \n & 111, 111, 111, 111, 109, 111, 111, 12, 20, 85, & ! 4 \n & 13, 12, 12, 20, 34, 34, 5, 96, 26, 5, & ! 5 \n & 5, 5, 5, 5, 5, 39, 20, 106, 85, 107, & ! 6 \n & 26, 12, 12, 12, 12, 12, 12, 12, 12, 12, & ! 7 \n & 6, 12, 12, 6, 12, 12, 12, 12, 12, 12, & ! 8 \n & 16, 18, 20, 12, 12, 16, 6, 12, 12, 119, & ! 9 \n & 120, 12, 96, 6, 6, 6, 6, 6, 38, 38, & ! O \n & 38, 35, 36, 36, 36, 36, 36, 36, 36, 36, & ! 1 \n & 36, 36, 36, 36, 36, 36, 36, 101, 36, 36, & ! 2 \n & 5, 5, 5, 36, 36, 103, 103, 36, 36, 36, & ! 3 \n & 68, 36, 36, 38, 38, 36, 36, 12, 12, 12, & ! 4 \n & 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, & ! 5 \n & 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, & ! 6 \n & 12, 12, 6, 12, 12, 12, 12, 12, 12, 13, & ! 7 \n & 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, & ! 8 \n & 12, 12, 16, 12, 12, 16, 12, 12, 12, 12, & ! 9 \n & 12, 12, 16, 16, 16, 12, 12, 104, 6, 12, & ! O \n & 12, 16, 16, 12, 12, 16, 12, 16, 12, 16, & ! 1 \n & 18, 12, 12, 12, 12, 12, 12, 17, 12, 12, & ! 2 \n & 6, 12, 12, 6, 12, 12, 12, 12, 12, 12, & ! 3 \n & 16, 18, 20, 12, 12, 13, 6, 12, 12, 119, & ! 4 \n & 120, 12, 6, 6, 12, 6, 6, 12, 12, 6, & ! 5 \n & 6, 18, 0, 7, 12, 7, 12, 7, 12, 1, & ! 6 \n & 5, 8, 5, 7, 12, 5, 5, 10, 9, 0, & ! 7 \n & 135, 137, 137, 137, 137, 137, 137, 144, 144, 144, & ! 8 \n & 144, 144, 137, 137, 137, 137, 154, 5, 156, 5, & ! 9 \n & 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, & ! O \n & 5/ ! 1 \n\n DATA ( IRR( IRXXN, 5 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 7, 0, 6, 7, 6, 12, 0, & ! O \n & 14, 16, 18, 20, 20, 18, 20, 20, 12, 26, & ! 1 \n & 0, 14, 14, 20, 20, 20, 12, 12, 12, 16, & ! 2 \n & 6, 6, 8, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 5, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 6, 6, 0, & ! 5 \n & 6, 0, 0, 8, 0, 0, 6, 0, 42, 0, & ! 6 \n & 0, 0, 0, 0, 50, 0, 0, 0, 0, 12, & ! 7 \n & 61, 66, 71, 71, 76, 79, 82, 82, 14, 0, & ! 8 \n & 0, 0, 0, 0, 30, 89, 0, 91, 14, 14, & ! 9 \n & 14, 14, 26, 0, 94, 94, 27, 0, 13, 15, & ! O \n & 17, 17, 16, 46, 25, 0, 0, 105, 20, 8, & ! 1 \n & 8, 24, 6, 27, 24, 12, 12, 12, 5, 12, & ! 2 \n & 12, 12, 12, 12, 12, 12, 12, 12, 12, 0, & ! 3 \n & 112, 112, 112, 112, 79, 112, 112, 14, 10, 10, & ! 4 \n & 26, 27, 14, 14, 94, 94, 12, 10, 6, 12, & ! 5 \n & 12, 12, 12, 12, 12, 0, 6, 0, 6, 0, & ! 6 \n & 6, 6, 6, 16, 16, 18, 6, 6, 6, 6, & ! 7 \n & 33, 6, 6, 33, 6, 6, 6, 6, 6, 21, & ! 8 \n & 6, 6, 6, 6, 20, 20, 12, 20, 6, 6, & ! 9 \n & 6, 6, 6, 29, 12, 13, 29, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 16, 18, 20, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 13, 13, 16, & ! 4 \n & 16, 18, 13, 13, 13, 92, 13, 13, 13, 13, & ! 5 \n & 13, 13, 13, 13, 13, 13, 16, 16, 20, 13, & ! 6 \n & 13, 20, 12, 20, 14, 119, 120, 13, 96, 12, & ! 7 \n & 13, 6, 6, 13, 16, 16, 16, 16, 16, 16, & ! 8 \n & 16, 16, 33, 16, 16, 33, 16, 16, 16, 16, & ! 9 \n & 16, 16, 0, 18, 20, 16, 16, 16, 12, 16, & ! O \n & 16, 119, 120, 16, 16, 29, 16, 6, 16, 0, & ! 1 \n & 0, 13, 6, 16, 16, 18, 6, 13, 17, 6, & ! 2 \n & 33, 6, 6, 33, 6, 6, 6, 6, 6, 6, & ! 3 \n & 6, 6, 6, 6, 6, 20, 12, 20, 6, 6, & ! 4 \n & 6, 6, 96, 29, 6, 13, 29, 38, 6, 13, & ! 5 \n & 0, 0, 0, 121, 122, 123, 124, 125, 126, 128, & ! 6 \n & 128, 128, 130, 131, 132, 134, 0, 0, 10, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 153, 0, 155, 0, & ! 9 \n & 158, 159, 159, 159, 159, 159, 164, 164, 164, 164, & ! O \n & 164/ ! 1 \n\n DATA ( IRR( IRXXN, 6 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 6, 0, & ! O \n & 0, 14, 14, 0, 14, 20, 0, 13, 20, 14, & ! 1 \n & 0, 0, 0, 14, 27, 27, 14, 13, 17, 0, & ! 2 \n & 17, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 10, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 43, 0, & ! 6 \n & 0, 0, 0, 0, 17, 0, 0, 0, 0, 14, & ! 7 \n & 62, 67, 72, 72, 72, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 17, 23, 14, 0, 34, 34, 14, 0, 0, 0, & ! O \n & 15, 0, 13, 27, 102, 0, 0, 0, 27, 13, & ! 1 \n & 13, 0, 0, 24, 13, 14, 16, 16, 12, 16, & ! 2 \n & 18, 18, 20, 20, 16, 85, 85, 14, 14, 0, & ! 3 \n & 0, 0, 0, 25, 0, 82, 82, 10, 0, 0, & ! 4 \n & 27, 14, 10, 10, 113, 113, 14, 0, 0, 114, & ! 5 \n & 115, 85, 117, 85, 117, 0, 0, 0, 0, 0, & ! 6 \n & 0, 13, 15, 18, 18, 27, 13, 13, 15, 32, & ! 7 \n & 0, 32, 33, 0, 92, 30, 29, 13, 13, 13, & ! 8 \n & 0, 0, 13, 13, 27, 6, 13, 27, 14, 0, & ! 9 \n & 0, 24, 0, 12, 38, 17, 36, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 104, 104, 13, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 97, 15, 18, & ! 4 \n & 18, 27, 17, 17, 17, 13, 33, 29, 30, 33, & ! 5 \n & 32, 30, 29, 25, 17, 55, 13, 13, 13, 31, & ! 6 \n & 31, 14, 13, 27, 13, 13, 13, 24, 13, 29, & ! 7 \n & 38, 13, 13, 0, 15, 18, 18, 18, 13, 13, & ! 8 \n & 17, 32, 0, 32, 30, 0, 32, 30, 29, 13, & ! 9 \n & 17, 55, 0, 0, 13, 13, 31, 20, 13, 20, & ! O \n & 14, 0, 0, 24, 96, 0, 38, 13, 6, 0, & ! 1 \n & 0, 6, 15, 27, 18, 27, 13, 12, 22, 32, & ! 2 \n & 0, 32, 30, 0, 92, 30, 29, 13, 17, 55, & ! 3 \n & 0, 0, 13, 13, 31, 14, 13, 27, 14, 0, & ! 4 \n & 0, 24, 0, 12, 38, 17, 36, 0, 13, 17, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 5, 0, 5, 0, & ! 9 \n & 0, 160, 160, 160, 160, 160, 165, 165, 165, 165, & ! O \n & 165/ ! 1 \n\n DATA ( IRR( IRXXN, 7 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 8, 0, & ! O \n & 0, 0, 0, 0, 13, 0, 0, 0, 26, 21, & ! 1 \n & 0, 0, 0, 0, 14, 14, 0, 0, 0, 0, & ! 2 \n & 22, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 24, 0, 0, 0, 0, 29, & ! 7 \n & 63, 68, 68, 68, 68, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 22, 29, 29, 0, 95, 95, 17, 0, 0, 0, & ! O \n & 0, 0, 0, 17, 0, 0, 0, 0, 13, 0, & ! 1 \n & 0, 0, 0, 0, 0, 13, 18, 18, 16, 20, & ! 2 \n & 88, 88, 14, 27, 20, 27, 27, 29, 33, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 30, 13, 0, 0, 10, 10, 29, 0, 0, 115, & ! 5 \n & 32, 116, 32, 117, 32, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 27, 27, 6, 17, 15, 17, 92, & ! 7 \n & 0, 38, 30, 0, 38, 31, 30, 25, 17, 59, & ! 8 \n & 0, 0, 0, 31, 6, 14, 24, 6, 13, 0, & ! 9 \n & 0, 29, 0, 0, 0, 22, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 37, 37, 36, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 97, 27, & ! 4 \n & 27, 13, 97, 22, 22, 32, 0, 32, 31, 0, & ! 5 \n & 0, 31, 30, 28, 22, 25, 104, 104, 97, 97, & ! 6 \n & 97, 13, 24, 13, 17, 0, 0, 29, 0, 0, & ! 7 \n & 0, 17, 29, 0, 104, 27, 27, 27, 17, 17, & ! 8 \n & 22, 92, 0, 0, 31, 0, 0, 31, 30, 25, & ! 9 \n & 22, 13, 0, 0, 104, 31, 104, 14, 24, 27, & ! O \n & 13, 0, 0, 29, 0, 0, 0, 17, 29, 0, & ! 1 \n & 0, 0, 0, 18, 27, 6, 17, 6, 6, 92, & ! 2 \n & 0, 0, 31, 0, 0, 31, 30, 25, 22, 13, & ! 3 \n & 0, 0, 0, 31, 0, 6, 24, 6, 13, 0, & ! 4 \n & 0, 29, 0, 0, 0, 22, 0, 0, 17, 22, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 161, 161, 161, 161, 161, 168, 168, 168, 168, & ! O \n & 168/ ! 1 \n\n DATA ( IRR( IRXXN, 8 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 17, 0, 0, 0, 27, 0, & ! 1 \n & 0, 0, 0, 0, 29, 29, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 59, & ! 7 \n & 64, 69, 73, 73, 73, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 29, 30, 30, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 22, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 59, 46, 46, 20, 26, & ! 2 \n & 4, 4, 30, 14, 27, 14, 14, 31, 29, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 10, 17, 0, 0, 0, 0, 6, 0, 0, 32, & ! 5 \n & 68, 117, 68, 118, 68, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 6, 6, 17, 0, 17, 19, 29, & ! 7 \n & 0, 0, 31, 0, 0, 92, 31, 28, 19, 6, & ! 8 \n & 0, 0, 0, 0, 17, 13, 0, 13, 17, 0, & ! 9 \n & 0, 36, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 98, 13, & ! 4 \n & 13, 17, 100, 97, 97, 29, 0, 0, 0, 0, & ! 5 \n & 0, 92, 31, 97, 97, 97, 0, 0, 99, 99, & ! 6 \n & 99, 104, 97, 17, 22, 0, 0, 36, 0, 0, & ! 7 \n & 0, 22, 36, 0, 0, 13, 13, 17, 104, 22, & ! 8 \n & 104, 29, 0, 0, 0, 0, 0, 92, 31, 28, & ! 9 \n & 104, 25, 0, 0, 0, 104, 0, 13, 16, 13, & ! O \n & 17, 0, 0, 36, 0, 0, 0, 22, 36, 0, & ! 1 \n & 0, 0, 0, 6, 6, 17, 0, 23, 19, 29, & ! 2 \n & 0, 0, 33, 0, 0, 92, 31, 28, 0, 25, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 13, 17, 0, & ! 4 \n & 0, 36, 0, 0, 0, 0, 0, 0, 22, 38, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 162, 162, 162, 162, 164, 166, 166, 166, 166, & ! O \n & 166/ ! 1 \n\n DATA ( IRR( IRXXN, 9 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 22, 0, 0, 0, 14, 0, & ! 1 \n & 0, 0, 0, 0, 30, 30, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 30, 36, 36, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 48, 20, 88, 4, & ! 2 \n & 14, 14, 59, 13, 14, 13, 13, 59, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 6, 38, 0, 0, 0, 0, 10, 0, 0, 68, & ! 5 \n & 0, 32, 0, 32, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 15, 13, 22, 0, 19, 22, 38, & ! 7 \n & 0, 0, 38, 0, 0, 38, 32, 109, 22, 55, & ! 8 \n & 0, 0, 0, 0, 30, 0, 0, 17, 29, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 17, & ! 4 \n & 17, 22, 0, 99, 99, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 32, 99, 99, 99, 0, 0, 104, 0, & ! 6 \n & 0, 16, 99, 30, 29, 0, 0, 0, 0, 0, & ! 7 \n & 0, 97, 38, 0, 0, 17, 17, 22, 0, 104, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 32, 104, & ! 9 \n & 0, 104, 0, 0, 0, 0, 0, 0, 104, 17, & ! O \n & 22, 0, 0, 0, 0, 0, 0, 104, 38, 0, & ! 1 \n & 0, 0, 0, 15, 13, 22, 0, 15, 15, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 32, 29, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 17, 22, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 38, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 163, 164, 164, 164, 165, 167, 167, 167, 167, & ! O \n & 167/ ! 1 \n\n DATA ( IRR( IRXXN, 10 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 13, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 4, 14, 27, 14, & ! 2 \n & 17, 53, 0, 30, 13, 29, 29, 104, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 62, & ! 5 \n & 0, 68, 0, 68, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 17, 15, 38, 0, 23, 24, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 92, 29, 59, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 30, 22, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 22, & ! 4 \n & 22, 97, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 92, 17, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 97, 0, 97, 30, 0, 0, 0, 0, 0, & ! 7 \n & 0, 99, 0, 0, 0, 22, 22, 104, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 92, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 30, & ! O \n & 29, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 17, 17, 0, 0, 19, 24, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 92, 24, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 30, 29, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 164, 165, 165, 165, 0, 0, 0, 0, 0, & ! O \n & 0/ ! 1 \n\n DATA ( IRR( IRXXN, 11 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 14, 4, 4, 13, & ! 2 \n & 22, 13, 0, 59, 15, 30, 30, 37, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 62, 0, 62, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 19, 17, 0, 0, 38, 38, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 38, 24, 38, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 30, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 29, & ! 4 \n & 97, 99, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 29, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 99, 0, 99, 97, 0, 0, 0, 0, 0, & ! 7 \n & 0, 38, 0, 0, 0, 29, 104, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 104, & ! O \n & 30, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 23, 22, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 17, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 30, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 165, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0/ ! 1 \n\n DATA ( IRR( IRXXN, 12 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 44, 44, 14, 25, & ! 2 \n & 82, 25, 0, 104, 22, 36, 31, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 23, 23, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 17, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 97, & ! 4 \n & 99, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 24, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 104, 99, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 104, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 104, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 19, 23, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 166, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0/ ! 1 \n\n DATA ( IRR( IRXXN, 13 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 45, 45, 53, 28, & ! 2 \n & 0, 59, 0, 17, 29, 0, 36, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 38, 19, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 99, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 19, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 167, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0/ ! 1 \n\n DATA ( IRR( IRXXN, 14 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 47, 13, 13, 59, & ! 2 \n & 0, 104, 0, 0, 30, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 22, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 15, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0/ ! 1 \n\n DATA ( IRR( IRXXN, 15 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 60, 15, 25, 53, & ! 2 \n & 0, 82, 0, 0, 59, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 24, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 24, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0/ ! 1 \n\n DATA ( IRR( IRXXN, 16 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 13, 17, 59, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 38, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0/ ! 1 \n\n DATA ( IRR( IRXXN, 17 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 15, 19, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0/ ! 1 \n\n DATA ( IRR( IRXXN, 18 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 17, 22, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0/ ! 1 \n\n DATA ( IRR( IRXXN, 19 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 19, 24, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0/ ! 1 \n\n DATA ( IRR( IRXXN, 20 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 33, 104, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0/ ! 1 \n\n DATA ( IRR( IRXXN, 21 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 23, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0/ ! 1 \n\n DATA ( IRR( IRXXN, 22 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 24, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0/ ! 1 \n\n DATA ( IRR( IRXXN, 23 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 59, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0/ ! 1 \n\n DATA ( IRR( IRXXN, 24 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 104, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0/ ! 1 \n\n DATA ( RTDAT( 1,IRXXN ), IRXXN = 1, NRXNS ) / & \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! O \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 1 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 2 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.7000D-12, 1.0000D-14, & ! 3 \n & 1.4000D-12, 1.4000D-13, 5.7400D-34, 8.0000D-12, 3.3000D-11, & ! + \n & 2.0000D-11, 2.1400D-10, 7.7000D-12, 4.8000D-11, 2.2000D-13, & ! 4 \n & 3.0800D-34, 2.9000D-12, 9.0000D-32, 7.0000D-31, 3.4500D-12, & ! + \n & 6.0950D-14, 3.3000D-39, 2.5000D-12, 5.5000D-12, 2.5000D-31, & ! 5 \n & 1.5100D-30, 2.4000D-14, 2.0000D-11, 4.0000D-12, 1.8000D-11, & ! + \n & 4.5000D-14, 8.5000D-13, 2.0000D-30, 2.7000D-27, 1.0000D-22, & ! 6 \n & 2.0000D-31, 2.1000D-27, 1.3000D-12, 3.3000D-31, 1.4400D-13, & ! + \n & 1.8500D-12, 6.9000D-12, 7.6800D-12, 1.0100D-11, 2.8200D-11, & ! 7 \n & 1.0000D-28, 5.7200D-12, 1.3300D-11, 1.4800D-11, 5.5000D-30, & ! + \n & 2.3300D-12, 1.8100D-12, 2.3100D-11, 1.4300D-11, 1.3600D-11, & ! 8 \n & 2.7000D-11, 1.2100D-11, 4.2000D-11, 5.5000D-12, 4.7000D-12, & ! + \n & 4.9000D-12, 4.5600D-14, 1.5000D-12, 2.8000D-12, 3.0000D-12, & ! 9 \n & 8.0000D-12, 2.6000D-12, 5.7700D-12, 1.1000D-11, 9.2600D-13, & ! + \n & 2.8000D-11, 2.8000D-11, 1.0000D-11, 5.3200D-12, 6.7500D-12, & ! O \n & 4.6500D-11, 2.8000D-11, 2.0500D-10, 2.8500D-12, 3.0000D-12, & ! + \n & 2.6000D-12, 1.4700D-11, 2.9000D-12, 3.4000D-12, 1.0000D-10, & ! 1 \n & 3.0000D-11, 4.5000D-13, 4.0000D-14, 2.9300D-12, 4.0000D-14, & ! + \n & 4.0000D-14, 3.2000D-11, 5.3100D-12, 5.6000D-12, 1.3000D-11, & ! 2 \n & 9.1400D-15, 4.3300D-15, 4.4000D-15, 1.3400D-14, 7.8600D-15, & ! + \n & 5.0000D-16, 2.9500D-15, 1.3600D-15, 8.5000D-16, 1.6600D-18, & ! 3 \n & 2.0000D-16, 2.0000D-16, 9.0000D-17, 5.0000D-16, 2.8600D-13, & ! + \n & 4.3920D-13, 1.7900D-13, 8.6400D-13, 1.0000D-13, 3.0300D-12, & ! 4 \n & 1.1900D-12, 1.2200D-11, 2.0000D-12, 1.4000D-12, 3.7600D-12, & ! + \n & 3.4000D-15, 5.0200D-13, 2.9000D-12, 3.7600D-12, 3.7800D-12, & ! 5 \n & 1.0600D-12, 2.8700D-13, 2.0100D-10, 2.2000D-14, 1.0000D+03, & ! + \n & 1.0000D+03, 1.0000D+03, 1.0000D+03, 1.0000D+03, 1.0000D+03, & ! 6 \n & 9.7000D-29, 9.0000D-29, 9.7000D-29, 9.0000D-29, 2.8000D-12, & ! + \n & 1.6000D+16, 2.8000D-12, 2.6000D-12, 4.0000D-12, 4.0000D-12, & ! 7 \n & 4.0000D-12, 9.0000D-12, 4.0000D-12, 4.0000D-12, 2.5400D-12, & ! + \n & 4.0000D-12, 2.7000D-12, 2.7000D-12, 4.0000D-12, 2.7000D-12, & ! 8 \n & 2.7000D-12, 2.7000D-12, 2.4300D-12, 4.0000D-12, 4.0000D-12, & ! + \n & 8.1000D-12, 8.1000D-12, 2.9000D-12, 4.0000D-12, 4.0000D-12, & ! 9 \n & 2.5400D-12, 2.5400D-12, 2.5400D-12, 2.5400D-12, 4.0000D-12, & ! + \n & 4.0000D-12, 2.7000D-12, 2.7000D-12, 4.0000D-12, 4.0000D-12, & ! O \n & 4.0000D-12, 2.7000D-12, 4.0000D-12, 2.0000D-11, 2.0000D-11, & ! + \n & 2.0800D-12, 4.1000D-13, 7.5000D-13, 1.6600D-13, 1.6600D-13, & ! 1 \n & 1.6600D-13, 1.9000D-13, 1.6600D-13, 1.6600D-13, 2.9100D-13, & ! + \n & 3.7500D-13, 3.7500D-13, 3.7500D-13, 3.7500D-13, 3.7500D-13, & ! 2 \n & 3.7500D-13, 3.7500D-13, 2.0500D-13, 1.5000D-11, 1.5000D-11, & ! + \n & 4.3000D-13, 4.3000D-13, 1.1500D-13, 1.1500D-13, 1.1500D-13, & ! 3 \n & 1.8200D-13, 1.8200D-13, 2.9100D-13, 2.9100D-13, 3.7500D-13, & ! + \n & 1.0000D-11, 3.7500D-13, 1.1500D-13, 1.6600D-13, 1.6600D-13, & ! 4 \n & 3.7500D-13, 1.6600D-13, 9.5000D-14, 1.1800D-13, 9.4600D-14, & ! + \n & 1.0000D-13, 4.3400D-14, 1.7100D-13, 1.4600D-13, 9.1800D-14, & ! 5 \n & 3.5600D-14, 3.5600D-14, 3.5600D-14, 3.5600D-14, 3.5600D-14, & ! + \n & 3.5600D-14, 3.5600D-14, 3.5600D-14, 3.4000D-14, 3.5600D-14, & ! 6 \n & 3.5600D-14, 2.0000D-11, 2.0000D-11, 7.5000D-13, 6.9100D-13, & ! + \n & 6.9100D-13, 3.4000D-14, 3.4000D-14, 8.3700D-14, 3.4000D-14, & ! 7 \n & 3.5600D-14, 3.5600D-14, 3.5600D-14, 3.5600D-14, 7.5000D-13, & ! + \n & 1.6000D-13, 9.6800D-14, 3.5600D-14, 5.9900D-15, 1.0300D-12, & ! 8 \n & 6.9000D-13, 5.5900D-13, 2.4700D-13, 9.4800D-13, 8.1100D-13, & ! + \n & 5.0900D-13, 7.4000D-13, 7.4000D-13, 7.4000D-13, 7.4000D-13, & ! 9 \n & 7.4000D-13, 7.4000D-13, 7.4000D-13, 7.4000D-13, 8.4000D-14, & ! + \n & 7.4000D-13, 7.4000D-13, 2.5000D-12, 2.5000D-12, 7.5100D-13, & ! O \n & 7.5100D-13, 7.5100D-13, 8.4000D-14, 8.4000D-14, 1.6800D-12, & ! + \n & 1.6800D-12, 7.4000D-13, 7.4000D-13, 7.4000D-13, 7.4000D-13, & ! 1 \n & 7.5100D-13, 8.8500D-13, 5.3700D-13, 7.4000D-13, 3.4000D-14, & ! + \n & 2.5000D-12, 1.2000D-12, 1.2000D-12, 1.2000D-12, 1.2000D-12, & ! 2 \n & 1.2000D-12, 1.2000D-12, 1.2000D-12, 1.2000D-12, 1.2000D-12, & ! + \n & 1.2000D-12, 1.2000D-12, 1.2000D-12, 1.2000D-12, 1.2000D-12, & ! 3 \n & 1.2000D-12, 1.2000D-12, 1.2000D-12, 1.2000D-12, 1.2000D-12, & ! + \n & 4.0000D-12, 4.0000D-12, 1.2000D-12, 1.2000D-12, 1.2000D-12, & ! 4 \n & 1.2000D-12, 1.2000D-12, 2.5000D-12, 2.5000D-12, 2.5000D-12, & ! + \n & 2.5000D-12, 1.2000D-12, 1.2000D-12, 1.2000D-12, 1.2000D-12, & ! 5 \n & 1.2000D-12, 1.2000D-12, 7.0000D-14, 4.2500D-14, 2.9600D-14, & ! + \n & 1.2000D-12, 2.5000D-12, 7.1300D-17, 2.7000D-12, 1.9000D-13, & ! 6 \n & 2.7000D-12, 1.9000D-13, 2.7000D-12, 1.9000D-13, 1.1600D-14, & ! + \n & 1.9700D-10, 1.9000D-11, 2.3100D-11, 2.7000D-12, 1.9000D-13, & ! 7 \n & 2.7000D-12, 5.7800D-11, 1.0000D+00, 1.0000D+00, 6.7006D-11, & ! + \n & 1.0000D+00, 9.4882D-06, 9.4882D-06, 9.4882D-06, 9.4882D-06, & ! 8 \n & 9.4882D-06, 9.4882D-06, 9.4882D-06, 9.4882D-06, 9.4882D-06, & ! + \n & 9.4882D-06, 9.4882D-06, 9.4882D-06, 9.4882D-06, 9.4882D-06, & ! 9 \n & 9.4882D-06, 2.5000D-12, 1.0000D+00, 2.5000D-12, 1.0000D+00, & ! + \n & 1.2500D-11, 4.0000D-11, 4.0000D-11, 4.0000D-11, 4.0000D-11, & ! O \n & 4.0000D-11, 4.0000D-11, 4.0000D-11, 4.0000D-11, 4.0000D-11, & ! + \n & 4.0000D-11/ ! 1 \n\n DATA ( RTDAT( 2,IRXXN ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00,-2.6000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 6.0000D+02, & ! 4 \n & 2.8000D+03, 0.0000D+00,-1.5000D+00,-2.6000D+00, 0.0000D+00, & ! + \n & 2.7000D+02, 0.0000D+00, 0.0000D+00, 0.0000D+00,-1.8000D+00, & ! 5 \n & -3.0000D+00, 4.6000D+02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00,-4.4000D+00, 1.1000D+04, 0.0000D+00, & ! 6 \n & -3.4000D+00, 1.0900D+04, 0.0000D+00,-4.3000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & -4.5000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 3.6500D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 2.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & -5.6000D+00, 1.4000D+04,-5.6000D+00, 1.4000D+04, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.4153D-08, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00/ ! 1 \n\n DATA ( RTDAT( 3,IRXXN ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00,-9.4000D+02,-4.9000D+02, & ! 3 \n & -1.3100D+03,-2.4700D+03, 0.0000D+00,-2.0600D+03, 6.7000D+01, & ! + \n & 1.3000D+02, 0.0000D+00,-2.1000D+03, 2.5000D+02, 1.9000D-33, & ! 4 \n & 2.5900D-54,-1.6000D+02, 0.0000D+00, 0.0000D+00, 2.7000D+02, & ! + \n & 6.8570D-34, 5.3000D+02, 2.6000D+02, 1.8800D+02, 0.0000D+00, & ! 5 \n & 0.0000D+00, 2.7000D-17, 0.0000D+00, 0.0000D+00, 1.1000D+02, & ! + \n & -1.2600D+03,-2.4500D+03, 0.0000D+00, 6.3000D+01, 0.0000D+00, & ! 6 \n & 0.0000D+00, 6.6000D+01, 3.8000D+02, 0.0000D+00, 2.8800D-33, & ! + \n & -1.6900D+03,-1.0000D+03,-3.7000D+02,-2.4500D+02,-2.7300D+02, & ! 7 \n & 0.0000D+00, 5.0000D+02, 5.0000D+02, 4.4800D+02, 0.0000D+00, & ! + \n & -1.9300D+02, 3.5400D+02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 3.9000D+02, 4.4000D+02, 4.0100D+02, 1.2500D+02, 3.4500D+02, & ! + \n & 4.0500D+02,-4.2700D+02,-9.0000D+01, 1.0000D+01, 0.0000D+00, & ! 9 \n & 3.8000D+02, 6.1000D+02, 5.3300D+02, 0.0000D+00, 8.3000D+02, & ! + \n & 1.7500D+02, 1.7500D+02, 0.0000D+00, 2.4300D+02, 4.0500D+02, & ! O \n & 0.0000D+00, 1.7500D+02, 0.0000D+00,-3.4500D+02, 2.0000D+01, & ! + \n & 2.0000D+02, 0.0000D+00, 1.9000D+02, 1.9000D+02, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 8.5000D+02, 1.9000D+02, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00,-2.6000D+02, 2.7000D+02, 0.0000D+00, & ! 2 \n & -2.5800D+03,-1.8000D+03,-8.4500D+02,-2.2830D+03,-1.9130D+03, & ! + \n & -5.3000D+02,-7.8300D+02,-2.1120D+03,-1.5200D+03, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & -2.2820D+03,-4.5000D+02, 4.5000D+02, 0.0000D+00,-4.4600D+02, & ! 4 \n & 4.9000D+02, 0.0000D+00,-2.4400D+03,-1.9000D+03,-1.9000D+03, & ! + \n & 0.0000D+00,-1.0760D+03,-1.9000D+03,-1.9000D+03, 0.0000D+00, & ! 5 \n & 0.0000D+00,-1.0000D+03, 0.0000D+00,-5.0000D+02, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 1.6600D+02, 0.0000D+00, 1.6800D+02, 1.8100D+02, & ! + \n & -1.3486D+04, 3.0000D+02, 3.6500D+02, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.6000D+02, & ! + \n & 0.0000D+00, 3.6000D+02, 3.6000D+02, 0.0000D+00, 3.6000D+02, & ! 8 \n & 3.6000D+02, 3.6000D+02, 3.6000D+02, 0.0000D+00, 0.0000D+00, & ! + \n & 2.7000D+02, 2.7000D+02, 3.0000D+02, 0.0000D+00, 0.0000D+00, & ! 9 \n & 3.6000D+02, 3.6000D+02, 3.6000D+02, 3.6000D+02, 0.0000D+00, & ! + \n & 0.0000D+00, 3.6000D+02, 3.6000D+02, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 3.6000D+02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 7.5000D+02, 7.0000D+02, 1.3000D+03, 1.3000D+03, & ! 1 \n & 1.3000D+03, 1.3000D+03, 1.3000D+03, 1.3000D+03, 1.3000D+03, & ! + \n & 9.8000D+02, 9.8000D+02, 9.8000D+02, 9.8000D+02, 9.8000D+02, & ! 2 \n & 9.8000D+02, 9.8000D+02, 1.3000D+03, 0.0000D+00, 0.0000D+00, & ! + \n & 1.0400D+03, 1.0400D+03, 1.3000D+03, 1.3000D+03, 1.3000D+03, & ! 3 \n & 1.3000D+03, 1.3000D+03, 1.3000D+03, 1.3000D+03, 9.8000D+02, & ! + \n & 0.0000D+00, 9.8000D+02, 1.3000D+03, 1.3000D+03, 1.3000D+03, & ! 4 \n & 9.8000D+02, 1.3000D+03, 3.9000D+02, 1.5800D+02, 4.3100D+02, & ! + \n & 4.6700D+02, 6.3300D+02, 7.0800D+02, 7.0800D+02, 7.0800D+02, & ! 5 \n & 7.0800D+02, 7.0800D+02, 7.0800D+02, 7.0800D+02, 7.0800D+02, & ! + \n & 7.0800D+02, 7.0800D+02, 7.0800D+02, 2.2100D+02, 7.0800D+02, & ! 6 \n & 7.0800D+02, 5.0000D+02, 5.0000D+02, 5.0000D+02, 5.0800D+02, & ! + \n & 5.0800D+02, 2.2100D+02, 2.2100D+02, 0.0000D+00, 2.2100D+02, & ! 7 \n & 7.0800D+02, 7.0800D+02, 7.0800D+02, 7.0800D+02, 5.0000D+02, & ! + \n & 7.0800D+02, 7.0800D+02, 0.0000D+00, 1.5100D+03, 2.1100D+02, & ! 8 \n & 4.6000D+02, 5.2200D+02, 6.8300D+02, 7.6500D+02, 7.6500D+02, & ! + \n & 7.6500D+02, 7.6500D+02, 7.6500D+02, 7.6500D+02, 7.6500D+02, & ! 9 \n & 7.6500D+02, 7.6500D+02, 7.6500D+02, 7.6500D+02, 2.2100D+02, & ! + \n & 7.6500D+02, 7.6500D+02, 5.0000D+02, 5.0000D+02, 5.6500D+02, & ! O \n & 5.6500D+02, 5.6500D+02, 2.2100D+02, 2.2100D+02, 5.0000D+02, & ! + \n & 5.0000D+02, 7.6500D+02, 7.6500D+02, 7.0800D+02, 7.0800D+02, & ! 1 \n & 5.6500D+02, 7.6500D+02, 7.6500D+02, 7.0800D+02, 1.5600D+03, & ! + \n & 5.0000D+02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 1.0000D+03, 1.0000D+03, 1.0000D+03, & ! + \n & 0.0000D+00, 5.0000D+02, 2.9500D+03, 3.6000D+02, 1.3000D+03, & ! 6 \n & 3.6000D+02, 1.3000D+03, 3.6000D+02, 1.3000D+03, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.6000D+02, 1.3000D+03, & ! 7 \n & 3.7400D+02,-4.0000D+02, 0.0000D+00, 0.0000D+00, 2.0000D-06, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00/ ! 1 \n INTEGER :: IRRFALL( NFALLOFF )\n\n DATA ( IRRFALL( IRXXN ), IRXXN = 1, NFALLOFF ) / & \n & 45, 46, 48, 49, 51, 55, 56, 57, 63, 66, & \n & 69, 70, 76, 80, 166, 168, 380/\n\n DATA ( RFDAT( 1,IRXXN ), IRXXN = 1, NFALLOFF ) / & \n & 9.8000D+02, 3.1800D+03, 3.0000D-11, 3.6000D-11, 2.7000D+02, & \n & 2.2000D-11, 2.5800D-11, 2.1990D+03, 1.4000D-12, 2.9000D-12, & \n & 1.6000D-12, 0.0000D+00, 8.8000D-12, 8.3000D-13, 9.3000D-12, & \n & 9.3000D-12, 1.0743D+01/\n\n DATA ( RFDAT( 2,IRXXN ), IRXXN = 1, NFALLOFF ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00,-1.0000D-01,-1.0000D+00, & \n & -7.0000D-01, 0.0000D+00, 6.5000D-34,-7.0000D-01,-1.1000D+00, & \n & 0.0000D+00, 0.0000D+00,-8.5000D-01, 2.0000D+00,-1.5000D+00, & \n & -1.5000D+00,-6.7130D-01/\n\n DATA ( RFDAT( 3,IRXXN ), IRXXN = 1, NFALLOFF ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, & \n & 0.0000D+00, 0.0000D+00, 1.3350D+03, 0.0000D+00, 0.0000D+00, & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & \n & 0.0000D+00, 0.0000D+00/\n\n DATA ( RFDAT( 4,IRXXN ), IRXXN = 1, NFALLOFF ) / & \n & 0.0000D+00, 0.0000D+00, 6.0000D-01, 6.0000D-01,-5.9680D-14, & \n & 6.0000D-01, 6.0000D-01, 0.0000D+00, 6.0000D-01, 6.0000D-01, & \n & 6.0000D-01, 0.0000D+00, 6.0000D-01, 6.0000D-01, 6.0000D-01, & \n & 6.0000D-01, 0.0000D+00/\n\n DATA ( RFDAT( 5,IRXXN ), IRXXN = 1, NFALLOFF ) / & \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, 2.7000D+02, & \n & 1.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, & \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & \n & 1.0000D+00, 0.0000D+00/\n\n REAL( 8 ) :: SC( NRXNS,MXPRD )\n\n DATA ( SC( IRXXN, 1 ), IRXXN = 1, NRXNS ) / & \n & 1.0000D+00, 1.0000D+00, 2.0000D+00, 1.0000D+00, 1.0000D+00, & ! O \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 2.0000D-01, 1.0000D+00, & ! + \n & 2.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.2200D+00, & ! 1 \n & 5.0000D-01, 1.0000D+00, 1.0000D+00, 3.4000D-01, 3.0000D-01, & ! + \n & 2.0000D+00, 1.0000D+00, 2.0000D+00, 1.0000D+00, 1.5000D+00, & ! 2 \n & 1.5000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 3 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 2.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, & ! 4 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 2.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 5 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 7.0000D-01, 2.0000D+00, & ! + \n & 1.0000D+00, 2.0000D+00, 1.0000D+00, 1.0000D+00, 2.0000D+00, & ! 6 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 4.9000D-02, & ! 7 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 6.5000D-01, & ! + \n & 6.4800D-01, 1.7700D-01, 1.7700D-01, 1.7700D-01, 1.7700D-01, & ! 8 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 9 \n & 5.7000D-01, 1.0000D+00, 3.1300D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 5.2000D-01, 5.2000D-01, 5.6000D-01, 1.0000D+00, 7.3000D-01, & ! O \n & 7.3000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 3.5000D-01, 1.0000D-02, 1.0000D+00, & ! 1 \n & 1.0000D+00, 1.0000D+00, 6.4000D-01, 3.5000D-01, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 2 \n & 8.0000D-02, 2.2000D-01, 4.6000D-01, 9.0000D-02, 2.5000D-01, & ! + \n & 8.5000D-01, 8.5000D-01, 1.9000D-01, 1.6000D-01, 1.0000D-01, & ! 3 \n & 5.0000D-02, 5.0000D-02, 5.0000D-02, 5.0000D-02, 1.0000D+00, & ! + \n & 8.0000D-01, 4.3000D-01, 1.1000D-01, 9.0000D-01, 1.0000D+00, & ! 4 \n & 1.0000D-01, 7.1000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 6.8000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 4.0000D-01, & ! 5 \n & 4.0000D-01, 5.0000D-01, 1.0000D+00, 1.0000D+00, 2.8000D-01, & ! + \n & 4.9000D-01, 1.5800D-01, 3.9000D-01, 1.5800D-01, 3.9000D-01, & ! 6 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 6.6000D-01, 2.0000D-01, & ! 7 \n & 6.0600D-01, 1.0000D+00, 7.8000D-01, 8.3000D-01, 9.1800D-01, & ! + \n & 1.0000D+00, 9.5000D-01, 5.0000D-01, 1.0000D+00, 9.5000D-01, & ! 8 \n & 9.5000D-01, 9.5000D-01, 8.8000D-01, 8.2000D-01, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 6.7000D-01, 7.7000D-01, & ! 9 \n & 6.5000D-01, 1.0000D+00, 3.0000D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! O \n & 2.0000D+00, 2.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 1 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 2 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 4.4000D-01, 4.4000D-01, 1.5000D-01, 1.0000D+00, 1.0000D+00, & ! 3 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 4 \n & 1.0000D+00, 1.0000D+00, 7.4000D-01, 1.0000D+00, 8.9400D-01, & ! + \n & 8.4200D-01, 9.1000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 5 \n & 1.6000D+00, 1.0000D+00, 2.0000D+00, 2.0000D+00, 1.0000D+00, & ! + \n & 2.0000D+00, 2.0000D+00, 2.0000D+00, 1.0000D+00, 1.0000D+00, & ! 6 \n & 1.0000D+00, 9.0000D-01, 9.0000D-01, 5.0000D-01, 8.3400D-01, & ! + \n & 1.0000D+00, 5.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 7 \n & 1.0000D+00, 1.0000D+00, 2.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 2.0000D+00, 5.0000D-01, 1.0000D+00, 1.0000D+00, 5.0000D-01, & ! 8 \n & 3.9400D-01, 3.4200D-01, 3.0300D-01, 5.0000D-01, 5.0000D-01, & ! + \n & 5.0000D-01, 6.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 9 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 5.0000D-01, & ! + \n & 5.0000D-01, 5.0000D-01, 2.0000D+00, 1.0000D+00, 5.0000D-01, & ! O \n & 3.3000D-01, 5.0000D-01, 6.3500D-01, 1.0000D+00, 5.0000D-01, & ! + \n & 5.0000D-01, 1.0000D+00, 1.0000D+00, 2.0000D+00, 1.0000D+00, & ! 1 \n & 1.0000D+00, 1.0000D+00, 5.0000D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 2.0000D+00, 1.0000D+00, 1.0000D+00, 2.5400D-01, 4.8800D-01, & ! 2 \n & 8.2000D-01, 1.0000D+00, 4.7000D-01, 8.6000D-01, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 5.0000D-01, 1.0000D+00, 1.0000D+00, & ! 3 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 6.7000D-01, 1.0000D+00, & ! 4 \n & 1.0000D+00, 1.0000D+00, 3.0000D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 5 \n & 2.0000D+00, 2.0000D+00, 1.0000D+00, 5.0000D-01, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, & ! 6 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 7 \n & 1.0000D+00, 1.0000D+00, 2.0000D+00, 5.0000D-01, 0.0000D+00, & ! + \n & 1.0000D+00, 8.5710D-01, 1.1429D+00, 8.5710D-01, 1.1429D+00, & ! 8 \n & 7.1430D-01, 7.1430D-01, 8.0000D-01, 9.0000D-01, 5.0000D-01, & ! + \n & 5.0000D-01, 1.5000D+00, 1.4286D+00, 1.4286D+00, 1.7143D+00, & ! 9 \n & 1.7143D+00, 1.2500D+00, 1.0000D+00, 1.2500D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! O \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00/ ! 1 \n\n DATA ( SC( IRXXN, 2 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! O \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 8.0000D-01, 0.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 7.8400D-01, & ! 1 \n & 5.0000D-01, 1.0000D+00, 1.0000D+00, 6.6000D-01, 3.0000D-01, & ! + \n & 0.0000D+00, 1.0000D+00, 2.0000D+00, 1.0000D+00, 2.5000D-01, & ! 2 \n & 2.5000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 7.0000D-01, 0.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 9.5100D-01, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.5000D-01, & ! + \n & 3.5200D-01, 7.6300D-01, 7.6300D-01, 7.6300D-01, 7.6300D-01, & ! 8 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, & ! 9 \n & 4.3000D-01, 0.0000D+00, 6.8700D-01, 2.0000D+00, 1.0000D+00, & ! + \n & 3.3000D-01, 3.3000D-01, 2.1000D-01, 0.0000D+00, 2.0000D-01, & ! O \n & 2.0000D-01, 1.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 7.1900D-01, 1.0000D+00, 6.5000D-01, 4.4000D-01, 1.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 3.6000D-01, 6.5000D-01, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 7.0000D-02, & ! 2 \n & 1.5000D-01, 3.2000D-01, 7.0000D-02, 2.8000D-01, 2.5000D-01, & ! + \n & 1.0000D-01, 1.0000D-01, 1.4000D-01, 1.1000D-01, 7.2000D-02, & ! 3 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.5000D+00, 0.0000D+00, & ! + \n & 2.0000D-01, 5.7000D-01, 8.9000D-01, 1.0000D-01, 1.0000D+00, & ! 4 \n & 9.0000D-01, 2.9000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 3.2000D-01, 1.0000D+00, 2.0000D+00, 1.0000D+00, 1.0000D-01, & ! 5 \n & 1.0000D-01, 1.5000D+00, 1.0000D+00, 1.0000D+00, 2.9000D-01, & ! + \n & 1.0000D-02, 3.0800D-01, 1.0000D-02, 3.0800D-01, 1.0000D-02, & ! 6 \n & 0.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.3100D-01, 5.1000D-02, & ! 7 \n & 1.3300D-01, 1.0000D+00, 9.7000D-01, 9.5000D-01, 9.1800D-01, & ! + \n & 1.0000D+00, 9.5000D-01, 9.5000D-01, 1.0000D+00, 9.5000D-01, & ! 8 \n & 9.5000D-01, 9.5000D-01, 8.8000D-01, 8.2000D-01, 6.8000D-01, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 2.3000D-01, & ! 9 \n & 3.5000D-01, 5.0000D-01, 7.0000D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! O \n & 2.8700D-01, 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 4.4000D-01, 4.4000D-01, 1.5000D-01, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 1.3700D+00, 7.5000D-01, 8.0000D-02, & ! + \n & 1.8000D-02, 9.0000D-02, 1.9500D+00, 1.5000D+00, 7.5000D-01, & ! 5 \n & 4.5900D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.3100D+00, 7.5000D-01, & ! 6 \n & 1.0400D+00, 9.0000D-01, 9.0000D-01, 5.0000D-01, 1.0000D+00, & ! + \n & 7.5000D-01, 2.6900D-01, 1.0000D+00, 1.1600D+00, 3.0500D-01, & ! 7 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 5.0000D-01, 7.0000D-01, 1.0000D+00, 5.0000D-01, & ! 8 \n & 5.8000D-01, 5.1800D-01, 5.0000D-01, 5.0000D-01, 5.0000D-01, & ! + \n & 5.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 9 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 5.0000D-01, & ! + \n & 5.0000D-01, 5.0000D-01, 0.0000D+00, 1.0000D+00, 5.0000D-01, & ! O \n & 5.0000D-01, 5.0000D-01, 5.0000D-01, 5.0000D-01, 5.0000D-01, & ! + \n & 5.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 1 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 1.0000D+00, 1.4000D-01, 5.5000D-02, & ! 2 \n & 1.8000D-01, 1.0000D+00, 7.9000D-01, 7.2000D-01, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 3 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 4 \n & 5.3800D-01, 1.0000D+00, 7.0000D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 5 \n & 2.8700D-01, 1.0000D+00, 2.0000D+00, 5.0000D-01, 5.0400D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, & ! 6 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 7 \n & 4.7000D-01, 0.0000D+00, 0.0000D+00, 5.0000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! + \n & 1.0000D+00, 4.8570D-01, 3.0030D-01, 3.8560D-01, 2.1810D-01, & ! O \n & 2.4120D-01, 6.6640D-01, 2.8580D-01, 3.3030D-01, 3.4440D-01, & ! + \n & 3.8860D-01/ ! 1 \n\n DATA ( SC( IRXXN, 3 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 8.0000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, 1.2200D+00, & ! 1 \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 6.7000D-01, 7.0000D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 2.0000D-01, & ! 2 \n & 2.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, & ! + \n & 2.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.0000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.5000D-02, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.5000D-01, & ! + \n & 1.1800D-01, 6.0000D-02, 6.0000D-02, 6.0000D-02, 6.0000D-02, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 4.0000D-01, 1.3000D-01, 1.1000D-01, 0.0000D+00, 7.0000D-02, & ! O \n & 7.0000D-02, 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 1.8400D-01, 0.0000D+00, 3.5000D-01, 7.0000D-02, 9.0400D-01, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.5000D-01, 1.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 7.0000D-02, & ! 2 \n & 4.3000D-01, 8.0000D-02, 3.2000D-01, 3.0000D-01, 8.0000D-02, & ! + \n & 2.0000D-01, 1.6000D-01, 1.0000D-01, 2.8000D-01, 8.0000D-03, & ! 3 \n & 6.0000D-01, 6.0000D-01, 1.5000D+00, 1.5000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 9.0000D-01, 0.0000D+00, & ! 4 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 6.8000D-01, 6.6800D-01, 1.0000D+00, 1.0000D+00, 5.0000D-01, & ! 5 \n & 5.0000D-01, 1.5000D+00, 0.0000D+00, 0.0000D+00, 2.8000D-01, & ! + \n & 5.0000D-01, 2.5000D-01, 3.0000D-01, 2.5000D-01, 5.0000D-01, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 1.0000D+00, 4.8000D-02, 2.3100D-01, & ! 7 \n & 4.1600D-01, 1.6000D+00, 7.8000D-01, 8.1000D-01, 4.5900D-01, & ! + \n & 0.0000D+00, 9.5000D-01, 5.0000D-01, 0.0000D+00, 9.5000D-01, & ! 8 \n & 9.5000D-01, 3.5000D-01, 2.0000D-01, 2.3000D-01, 4.3000D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 3.3000D-01, 1.6000D-01, & ! 9 \n & 1.0000D+00, 5.0000D-01, 7.0000D-01, 6.1000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 3.2000D-01, 0.0000D+00, 1.0000D+00, 1.0000D+00, & ! O \n & 1.2400D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 1.5000D-01, 1.5000D-01, 1.5000D-01, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 6.3000D-01, 7.5000D-01, 2.6000D-02, & ! + \n & 1.4000D-01, 2.8100D-01, 1.5000D-01, 7.0500D-01, 1.2800D+00, & ! 5 \n & 1.0000D+00, 1.0000D+00, 2.7100D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 3.6800D-01, 1.5900D-01, 7.5000D-01, & ! 6 \n & 1.9200D-01, 1.0000D+00, 1.0000D+00, 1.5000D+00, 3.3400D-01, & ! + \n & 5.0000D-01, 5.0000D-01, 1.5000D+00, 1.1600D+00, 7.7300D-01, & ! 7 \n & 1.0000D+00, 1.0000D+00, 3.2000D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 9.6500D-01, 1.0000D+00, 0.0000D+00, 1.0000D+00, & ! 8 \n & 2.6000D-02, 1.4000D-01, 6.7000D-02, 1.6000D+00, 1.0000D+00, & ! + \n & 1.7100D+00, 4.5900D-01, 0.0000D+00, 1.0000D+00, 1.0000D+00, & ! 9 \n & 0.0000D+00, 1.0000D+00, 1.0000D+00, 3.6800D-01, 1.0480D+00, & ! + \n & 1.0000D+00, 1.9200D-01, 0.0000D+00, 0.0000D+00, 1.0000D+00, & ! O \n & 3.3000D-01, 5.0000D-01, 2.6900D-01, 1.0000D+00, 1.1600D+00, & ! + \n & 5.0000D-01, 0.0000D+00, 0.0000D+00, 3.2000D-01, 1.0000D+00, & ! 1 \n & 0.0000D+00, 1.0000D+00, 2.8700D-01, 7.0000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 1.0000D+00, 9.2000D-02, 2.8000D-01, & ! 2 \n & 5.6300D-01, 1.6000D+00, 7.9000D-01, 1.1000D-01, 5.0000D-01, & ! + \n & 0.0000D+00, 1.0000D+00, 5.0000D-01, 0.0000D+00, 1.0000D+00, & ! 3 \n & 1.0000D+00, 3.6800D-01, 7.5000D-01, 1.0000D+00, 3.8500D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 3.3000D-01, 1.0000D+00, & ! 4 \n & 1.0000D+00, 1.0000D+00, 7.0000D-01, 6.1000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 3.2000D-01, 0.0000D+00, 1.0000D+00, 1.0000D+00, & ! 5 \n & 1.2400D+00, 1.0000D+00, 0.0000D+00, 2.0200D-01, 1.2100D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 6.2000D-03, 2.8620D-01, 9.5000D-02, 3.0630D-01, & ! O \n & 2.0890D-01, 1.4300D-02, 3.9310D-01, 2.2720D-01, 2.7490D-01, & ! + \n & 2.4210D-01/ ! 1 \n\n DATA ( SC( IRXXN, 4 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.0000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.5000D-01, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.3000D-01, 7.0000D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, & ! 2 \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 8.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.4000D-02, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 6.5000D-01, & ! + \n & 5.3000D-01, 1.7700D-01, 1.7700D-01, 1.7700D-01, 1.7700D-01, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 7.8000D-01, 1.0000D-01, 2.7000D-01, 0.0000D+00, 7.3000D-01, & ! O \n & 7.3000D-01, 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 8.0000D-02, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.5000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 1.0000D+00, 6.0000D-02, 7.0000D-02, 3.0000D-02, 1.0000D-01, & ! + \n & 4.2000D-01, 4.2000D-01, 2.2000D-01, 1.0000D-02, 2.0000D-03, & ! 3 \n & 6.0000D-01, 6.0000D-01, 4.8000D-01, 8.5000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 6.8000D-01, 3.3200D-01, 0.0000D+00, 0.0000D+00, 5.0000D-01, & ! 5 \n & 5.0000D-01, 1.0000D+00, 0.0000D+00, 0.0000D+00, 1.5000D-01, & ! + \n & 4.9000D-01, 3.0800D-01, 4.9000D-01, 1.5000D-01, 4.9000D-01, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 8.9000D-02, 2.3500D-01, & ! 7 \n & 7.3900D-01, 2.0000D-01, 1.2000D-02, 6.8000D-01, 4.5900D-01, & ! + \n & 0.0000D+00, 5.0000D-02, 5.0000D-01, 0.0000D+00, 5.0000D-02, & ! 8 \n & 9.5000D-01, 6.0000D-01, 2.8000D-01, 4.3000D-01, 7.0000D-02, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 6.7000D-01, 1.0000D+00, & ! 9 \n & 6.5000D-01, 1.0000D+00, 1.0000D+00, 3.0000D-02, 0.0000D+00, & ! + \n & 0.0000D+00, 6.8000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 4.6400D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 4.1000D-01, 4.1000D-01, 8.5000D-01, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.5000D-01, 2.6000D-02, & ! + \n & 1.9100D-01, 7.5000D-01, 2.5000D-01, 4.5000D-02, 2.1800D-01, & ! 5 \n & 4.5900D-01, 0.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 6.3200D-01, 2.5000D-01, 7.5000D-01, & ! 6 \n & 3.0800D-01, 1.0000D-01, 1.0000D-01, 2.5000D-01, 2.5000D-01, & ! + \n & 2.5000D-01, 1.6600D+00, 5.0000D-01, 1.5000D+00, 2.0300D-01, & ! 7 \n & 0.0000D+00, 0.0000D+00, 6.8000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 9.3000D-01, 7.0000D-01, 0.0000D+00, 5.0000D-01, & ! 8 \n & 2.6000D-02, 1.9100D-01, 2.0800D-01, 2.0000D-01, 9.4000D-01, & ! + \n & 2.9000D-01, 4.5800D-01, 0.0000D+00, 0.0000D+00, 1.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 6.3200D-01, 2.1900D-01, & ! + \n & 1.0000D+00, 3.8500D-01, 0.0000D+00, 0.0000D+00, 7.5000D-01, & ! O \n & 3.3400D-01, 5.0000D-01, 5.0000D-01, 5.0000D-01, 1.1600D+00, & ! + \n & 3.0000D-02, 0.0000D+00, 0.0000D+00, 6.8000D-01, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 1.2400D+00, 7.0000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 5.0300D-01, 4.8500D-01, & ! 2 \n & 1.0000D+00, 2.0000D-01, 1.0000D+00, 1.0000D+00, 5.0000D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 5.0000D-01, 0.0000D+00, 0.0000D+00, & ! 3 \n & 1.0000D+00, 6.3200D-01, 3.1800D-01, 1.0000D+00, 3.8500D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 6.7000D-01, 0.0000D+00, & ! 4 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 3.0000D-02, 0.0000D+00, & ! + \n & 0.0000D+00, 6.8000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 4.6400D-01, 0.0000D+00, 0.0000D+00, 6.4000D-01, 2.8500D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 2.5000D-03, 4.1000D-03, 1.3730D-01, 1.5300D-02, & ! O \n & 3.0000D-01, 1.2300D-02, 1.3900D-02, 2.6070D-01, 4.9100D-02, & ! + \n & 6.4000D-02/ ! 1 \n\n DATA ( SC( IRXXN, 5 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.3400D-01, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.4000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 5.0000D-01, & ! 2 \n & 5.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.5000D-01, & ! + \n & 1.0000D+00, 1.0000D+00, 9.8000D-01, 1.0000D+00, 1.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 1.0000D-01, 1.0000D-02, 1.0000D-02, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.1000D-01, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 3.7000D-01, 4.0000D-02, 4.0000D-02, 1.5000D-01, 1.0000D-01, & ! + \n & 2.0000D-02, 2.0000D-02, 5.0000D-01, 5.6000D-01, 1.0000D-01, & ! 3 \n & 1.5000D+00, 1.5000D+00, 7.0000D-01, 1.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 3.2000D-01, 3.3200D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 5.0000D-01, 0.0000D+00, 0.0000D+00, 2.8000D-01, & ! + \n & 1.0000D-02, 1.5000D-01, 1.0000D-02, 3.0800D-01, 1.0000D-02, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 9.3500D-01, 8.6400D-01, & ! 7 \n & 1.5000D-01, 0.0000D+00, 4.4000D-01, 2.0000D-01, 9.1800D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 5.0000D-01, 0.0000D+00, 0.0000D+00, & ! 8 \n & 1.0500D+00, 7.0000D-01, 4.4000D-01, 1.1000D-01, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.6000D-01, & ! 9 \n & 6.5000D-01, 0.0000D+00, 3.0000D-01, 2.7000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 6.8000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.5000D-01, 8.2700D-01, & ! + \n & 7.7700D-01, 1.9700D-01, 2.5000D-01, 2.5000D-01, 2.5000D-01, & ! 5 \n & 6.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0500D+00, 7.3700D-01, 2.5000D-01, 2.5000D-01, & ! 6 \n & 2.5000D-01, 0.0000D+00, 0.0000D+00, 2.5000D-01, 2.5000D-01, & ! + \n & 2.5000D-01, 6.7000D-02, 2.5000D-01, 1.7500D+00, 5.2500D-01, & ! 7 \n & 0.0000D+00, 0.0000D+00, 6.8000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 3.4800D-01, 7.0000D-01, 0.0000D+00, 0.0000D+00, & ! 8 \n & 1.3000D-01, 4.2000D-02, 2.1700D-01, 5.0000D-01, 6.0000D-02, & ! + \n & 5.0000D-01, 6.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 1.0500D+00, 7.3700D-01, 3.0500D-01, & ! + \n & 1.0000D+00, 3.0800D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 5.0000D-01, 0.0000D+00, 1.0000D+00, 5.0000D-01, 1.0000D+00, & ! + \n & 2.7000D-01, 0.0000D+00, 0.0000D+00, 6.8000D-01, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 4.6400D-01, 7.0000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, & ! 2 \n & 2.0300D-01, 0.0000D+00, 1.8000D-01, 2.0000D-01, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 5.0000D-01, 0.0000D+00, 0.0000D+00, & ! 3 \n & 1.0500D+00, 7.3700D-01, 5.0000D-01, 0.0000D+00, 6.1500D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 3.0000D-01, 2.7000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 6.8000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.4900D-01, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 2.6000D-03, 3.5000D-03, 5.0000D-04, 1.0430D-01, & ! O \n & 2.0280D-01, 1.2390D-01, 1.0270D-01, 7.0200D-02, 2.5770D-01, & ! + \n & 3.8500D-02/ ! 1 \n\n DATA ( SC( IRXXN, 6 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.1600D-01, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 6.7000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 5.0000D-01, & ! 2 \n & 5.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 1.0000D-02, 7.8000D-01, 7.9000D-01, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 2.0000D-02, 9.0000D-02, 2.0000D-02, 9.0000D-02, & ! + \n & 1.4000D-01, 1.4000D-01, 4.5000D-01, 1.0000D-01, 2.4300D-01, & ! 3 \n & 5.0000D-02, 5.0000D-02, 2.5000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 6.8000D-01, 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 5.0000D-01, 0.0000D+00, 0.0000D+00, 1.0000D-02, & ! + \n & 0.0000D+00, 2.2400D-01, 0.0000D+00, 2.2400D-01, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 5.0400D-01, 1.8000D-02, & ! 7 \n & 6.4200D-01, 0.0000D+00, 6.0000D-02, 9.0000D-02, 8.2000D-02, & ! + \n & 0.0000D+00, 0.0000D+00, 5.0000D-02, 0.0000D+00, 0.0000D+00, & ! 8 \n & 5.0000D-02, 7.3000D-02, 1.2000D-01, 4.4000D-01, 5.0000D-02, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 5.4000D-01, & ! 9 \n & 0.0000D+00, 0.0000D+00, 7.0000D-01, 1.8000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.9800D-01, & ! + \n & 2.5100D-01, 6.5200D-01, 0.0000D+00, 2.5000D-01, 2.5000D-01, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 7.7000D-02, 2.5000D-01, 2.5000D-01, & ! 6 \n & 2.5000D-01, 0.0000D+00, 0.0000D+00, 1.2500D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 2.5000D-01, 2.5000D-01, 5.0000D-01, 1.3500D-01, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 2.5000D-01, 3.0000D-01, 0.0000D+00, 0.0000D+00, & ! 8 \n & 2.7300D-01, 3.8100D-01, 6.4200D-01, 0.0000D+00, 5.0000D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 7.7000D-02, 5.0000D-01, & ! + \n & 0.0000D+00, 5.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 5.0000D-01, 2.3000D+00, & ! + \n & 7.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 5.0000D-01, 3.0000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 5.1900D-01, 2.4000D-02, & ! 2 \n & 8.6900D-01, 0.0000D+00, 2.0000D-02, 8.5000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 7.7000D-02, 2.4000D-02, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 7.0000D-01, 7.0000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.5000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 2.3000D-03, 2.2390D-01, 2.0510D-01, 1.8930D-01, & ! O \n & 4.7100D-02, 1.8310D-01, 2.0450D-01, 1.1160D-01, 7.3900D-02, & ! + \n & 2.6670D-01/ ! 1 \n\n DATA ( SC( IRXXN, 7 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 6.7000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 6.8000D-02, 3.7000D-01, 1.3000D-01, 1.4000D-01, & ! + \n & 6.5000D-01, 4.6000D-01, 0.0000D+00, 5.4000D-01, 8.0000D-02, & ! 3 \n & 5.0000D-02, 5.0000D-02, 2.5000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.8000D-01, & ! + \n & 0.0000D+00, 1.0000D-02, 0.0000D+00, 1.0000D-02, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.3200D-01, 4.5000D-02, & ! 7 \n & 2.6100D-01, 0.0000D+00, 1.3000D-01, 2.0000D-02, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 1.7700D-01, 2.1000D-02, 7.0000D-02, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 3.0000D-01, 7.0000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.9700D-01, & ! + \n & 6.1800D-01, 2.5000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.8600D-01, 2.3000D-02, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 2.5000D-01, 0.0000D+00, 2.5000D-01, 1.0500D-01, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 2.5000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 6.6200D-01, 8.2400D-01, 4.9500D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.8600D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 5.0000D-01, & ! + \n & 1.8000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.4700D-01, 2.4100D-01, & ! 2 \n & 0.0000D+00, 0.0000D+00, 9.0000D-02, 4.0000D-02, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 1.8600D-01, 3.3000D-02, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 3.0000D-01, 1.8000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 2.9440D-01, 1.8200D-01, 1.7640D-01, 1.6680D-01, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00/ ! 1 \n\n DATA ( SC( IRXXN, 8 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 4.3000D-01, 2.6000D-02, 1.0000D-03, 5.8000D-01, & ! + \n & 5.3000D-01, 4.0000D-02, 0.0000D+00, 7.0000D-02, 4.2000D-01, & ! 3 \n & 8.0000D-02, 8.0000D-02, 1.1000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 8.4000D-01, 0.0000D+00, 8.4000D-01, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.6500D-01, 2.0300D-01, & ! 7 \n & 0.0000D+00, 0.0000D+00, 3.0000D-02, 5.0000D-02, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 5.0000D-02, 2.9000D-02, 1.8000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.1000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 5.0000D-02, & ! + \n & 2.5000D-01, 2.5000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.8000D-02, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 2.5000D-01, 0.0000D+00, 2.5000D-01, 2.5000D-01, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 5.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 6.7000D-02, 5.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0830D+00, & ! + \n & 1.0500D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 7.5000D-02, 6.0000D-02, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 3.1000D-02, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.1000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 2.0210D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00/ ! 1 \n\n DATA ( SC( IRXXN, 9 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 2.0000D-02, 1.0000D-02, 3.6000D-01, 4.6100D-01, & ! + \n & 1.0000D+00, 7.9000D-01, 0.0000D+00, 7.0000D-02, 2.8000D-02, & ! 3 \n & 6.5000D-01, 7.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.2000D-02, 3.3000D-02, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 2.7000D-02, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.5000D-01, & ! + \n & 2.5000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.6000D-02, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.9200D-01, 2.5000D-01, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 5.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 5.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 9.5000D-02, 6.3000D-02, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.9000D-03, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00/ ! 1 \n\n DATA ( SC( IRXXN, 10 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 1.5000D-02, 1.0000D-02, 3.5000D-01, 1.8900D-01, & ! + \n & 0.0000D+00, 1.0000D-02, 0.0000D+00, 1.0000D-01, 4.9100D-01, & ! 3 \n & 0.0000D+00, 6.5000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 6.5000D-02, 2.1700D-01, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.5000D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.4700D-01, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 2.3000D-03, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00/ ! 1 \n\n DATA ( SC( IRXXN, 11 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 6.0000D-03, 9.0000D-02, 9.0000D-01, 2.8000D-01, & ! + \n & 0.0000D+00, 7.0000D-02, 0.0000D+00, 0.0000D+00, 3.0000D-03, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.3000D-02, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.8000D-02, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00/ ! 1 \n\n DATA ( SC( IRXXN, 12 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 3.2000D-02, 4.5700D-01, 3.9000D-01, 1.5300D-01, & ! + \n & 0.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, 4.4000D-02, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.7200D-01, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.7500D-01, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00/ ! 1 \n\n DATA ( SC( IRXXN, 13 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 5.6000D-01, 7.3000D-01, 1.5000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.3600D-01, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00/ ! 1 \n\n DATA ( SC( IRXXN, 14 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 1.0000D-02, 1.1000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00/ ! 1 \n\n DATA ( SC( IRXXN, 15 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 4.4000D-01, 1.7000D-02, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00/ ! 1 \n\n DATA ( SC( IRXXN, 16 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 3.0000D-02, 4.4000D-02, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00/ ! 1 \n\n DATA ( SC( IRXXN, 17 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 2.0000D-02, 1.7000D-02, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00/ ! 1 \n\n DATA ( SC( IRXXN, 18 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 6.0000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00/ ! 1 \n\n DATA ( SC( IRXXN, 19 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 1.0000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00/ ! 1 \n\n DATA ( SC( IRXXN, 20 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 3.0000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00/ ! 1 \n\n DATA ( SC( IRXXN, 21 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 6.0000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00/ ! 1 \n\n INTEGER :: NREACT( NRXNS )\n\n DATA ( NREACT( IRXXN ), IRXXN = 1, NRXNS ) / & \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! O \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! 1 \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! 2 \n & 1, 1, 1, 2, 2, 2, 2, 1, 2, 1, & ! 3 \n & 1, 1, 1, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 2, 2, 2, 1, 1, 2, 1, 2, 2, 2, & ! 6 \n & 1, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 9 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 1 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 2 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 1, & ! 5 \n & 1, 1, 1, 1, 1, 2, 1, 2, 1, 2, & ! 6 \n & 1, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 9 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 1 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 2 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 9 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 1 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 2 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 2, 1, 1, 1, & ! 7 \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! 8 \n & 1, 1, 1, 1, 1, 1, 2, 2, 2, 2, & ! 9 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 2/ ! 1 \n INTEGER :: NPRDCT( NRXNS )\n\n DATA ( NPRDCT( IRXXN ), IRXXN = 1, NRXNS ) / & \n & 1, 1, 1, 2, 1, 2, 2, 2, 4, 1, & ! O \n & 2, 3, 3, 2, 6, 3, 2, 3, 7, 4, & ! 1 \n & 1, 2, 2, 3, 6, 6, 3, 3, 3, 2, & ! 2 \n & 4, 2, 2, 1, 1, 1, 1, 1, 0, 1, & ! 3 \n & 1, 1, 1, 0, 1, 1, 1, 1, 1, 2, & ! 4 \n & 1, 1, 1, 1, 1, 1, 1, 2, 3, 1, & ! 5 \n & 2, 1, 1, 2, 1, 1, 2, 1, 3, 1, & ! 6 \n & 1, 1, 1, 1, 4, 1, 1, 1, 1, 5, & ! 7 \n & 5, 5, 5, 5, 5, 2, 2, 2, 2, 1, & ! 8 \n & 1, 1, 1, 1, 2, 2, 1, 2, 2, 2, & ! 9 \n & 6, 6, 6, 1, 4, 4, 4, 1, 2, 2, & ! O \n & 3, 2, 3, 5, 3, 1, 1, 2, 4, 3, & ! 1 \n & 3, 2, 2, 3, 3, 5, 21, 17, 13, 12, & ! 2 \n & 9, 12, 6, 10, 12, 9, 10, 8, 5, 1, & ! 3 \n & 2, 2, 2, 3, 2, 3, 3, 3, 2, 2, & ! 4 \n & 6, 6, 3, 3, 4, 4, 6, 2, 2, 7, & ! 5 \n & 5, 8, 5, 8, 5, 1, 2, 1, 2, 1, & ! 6 \n & 2, 3, 3, 10, 13, 7, 4, 8, 8, 6, & ! 7 \n & 2, 4, 6, 2, 4, 6, 8, 9, 8, 6, & ! 8 \n & 2, 2, 3, 4, 6, 5, 4, 7, 8, 2, & ! 9 \n & 2, 5, 2, 3, 3, 4, 3, 1, 1, 1, & ! O \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! 1 \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! 2 \n & 4, 4, 4, 1, 1, 1, 1, 1, 1, 1, & ! 3 \n & 1, 1, 1, 1, 1, 1, 1, 3, 5, 10, & ! 4 \n & 9, 8, 5, 6, 6, 5, 3, 4, 4, 3, & ! 5 \n & 3, 5, 7, 9, 6, 6, 4, 4, 6, 5, & ! 6 \n & 5, 8, 6, 9, 9, 3, 3, 5, 3, 3, & ! 7 \n & 3, 8, 6, 2, 4, 9, 8, 7, 5, 6, & ! 8 \n & 5, 5, 2, 3, 4, 2, 3, 5, 7, 6, & ! 9 \n & 5, 6, 1, 2, 4, 5, 4, 5, 6, 8, & ! O \n & 9, 2, 2, 5, 3, 2, 3, 6, 6, 1, & ! 1 \n & 1, 3, 3, 9, 12, 6, 4, 7, 7, 5, & ! 2 \n & 2, 3, 5, 2, 3, 5, 7, 8, 4, 5, & ! 3 \n & 2, 2, 3, 4, 3, 4, 4, 7, 8, 2, & ! 4 \n & 2, 5, 2, 3, 3, 4, 3, 2, 6, 5, & ! 5 \n & 1, 1, 0, 2, 2, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 1, 1, 2, 0, & ! 7 \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! 8 \n & 1, 1, 1, 1, 1, 1, 3, 1, 3, 1, & ! 9 \n & 2, 10, 7, 7, 7, 6, 6, 6, 6, 6, & ! O \n & 6/ ! 1 \n\n INTEGER, PARAMETER :: MHETERO = 5\n INTEGER :: IHETERO( MHETERO,2 )\n\n DATA ( IHETERO( IRXXN,1 ), IRXXN = 1, MHETERO ) / & \n & 378, 379, 381, 398, 400/\n\n DATA ( IHETERO( IRXXN,2 ), IRXXN = 1, MHETERO ) / & \n & 1, 2, 3, 4, 5/\n\n INTEGER, PARAMETER :: NPHOTAB = 30\n CHARACTER( 16 ) :: PHOTAB( NPHOTAB )\n\n DATA ( PHOTAB( IRXXN ), IRXXN = 1, NPHOTAB ) / & \n & 'O3O3P_NASA06 ', 'O3O1D_NASA06 ', 'H2O2_RACM2 ', & \n & 'NO2_RACM2 ', 'NO3NO_RACM2 ', 'NO3NO2_RACM2 ', & \n & 'HONO_RACM2 ', 'HNO3_RACM2 ', 'HNO4_RACM2 ', & \n & 'HCHO_MOL_JPL19 ', 'HCHO_RAD_JPL19 ', 'CH3CHO_RACM2 ', & \n & 'ALD_RACM2 ', 'CH3COCH3_RACM2 ', 'UALD_RACM2 ', & \n & 'MEK_RACM2 ', 'KET_RACM2 ', 'HKET_RACM2 ', & \n & 'MACR_RACM2 ', 'MVK_RACM2 ', 'GLYH2_RACM2 ', & \n & 'GLYF_RACM2 ', 'GLYHX_RACM2 ', 'MGLY_RACM2 ', & \n & 'BALD_RACM2 ', 'OP1_RACM2 ', 'PAA_RACM2 ', & \n & 'ONIT_RACM2 ', 'PAN1_RACM2 ', 'PAN2_RACM2 '/\n\n INTEGER, PARAMETER :: NHETERO = 5\n CHARACTER( 16 ) :: HETERO( NHETERO )\n\n DATA ( HETERO( IRXXN ), IRXXN = 1, NHETERO ) / & \n & 'HETERO_N2O5IJ ', 'HETERO_NO2 ', 'HETERO_IEPOX ', &\n & 'HETERO_PNCOMLI ', 'HETERO_PNCOMLJ '/\n\n CHARACTER( 16 ) :: RXLABEL( NRXNS )\n\n DATA ( RXLABEL( IRXXN ), IRXXN = 1, NRXNS ) / & \n & 'R001 ', 'R002 ', 'R003 ', & ! 0 \n & 'R004 ', 'R005 ', 'R006 ', & ! 1 \n & 'R007 ', 'R008 ', 'R009 ', & ! 2 \n & 'R010 ', 'R011 ', 'R012 ', & ! 3 \n & 'R013 ', 'R014 ', 'R015 ', & ! 4 \n & 'R016 ', 'R017 ', 'R018 ', & ! 5 \n & 'R019 ', 'R020 ', 'R021 ', & ! 6 \n & 'R022 ', 'R023 ', 'R024 ', & ! 7 \n & 'R025 ', 'R026 ', 'R027 ', & ! 8 \n & 'R028 ', 'R029 ', 'R030 ', & ! 9 \n & 'R031 ', 'R032 ', 'R033 ', & ! 0 \n & 'R034 ', 'R035 ', 'R036 ', & ! 1 \n & 'R037 ', 'R038 ', 'R039 ', & ! 2 \n & 'R040 ', 'R041 ', 'R042 ', & ! 3 \n & 'R043 ', 'R044 ', 'R045 ', & ! 4 \n & 'R046 ', 'R047 ', 'R048 ', & ! 5 \n & 'R049 ', 'R050 ', 'R051 ', & ! 6 \n & 'R052 ', 'R053 ', 'R054 ', & ! 7 \n & 'R055 ', 'R056 ', 'R057 ', & ! 8 \n & 'R058 ', 'R059 ', 'R060 ', & ! 9 \n & 'R061 ', 'R062 ', 'R063 ', & ! 0 \n & 'R064 ', 'R065 ', 'R066 ', & ! 1 \n & 'R067 ', 'R068 ', 'R069 ', & ! 2 \n & 'R070 ', 'R071 ', 'R072 ', & ! 3 \n & 'R073 ', 'R074 ', 'R075 ', & ! 4 \n & 'R076 ', 'R077 ', 'R078 ', & ! 5 \n & 'R079 ', 'R080 ', 'R081 ', & ! 6 \n & 'R082 ', 'R083 ', 'R084 ', & ! 7 \n & 'R085 ', 'R086 ', 'R087 ', & ! 8 \n & 'R088 ', 'R089 ', 'R090 ', & ! 9 \n & 'R091 ', 'R092 ', 'R093 ', & ! 0 \n & 'R094 ', 'R095 ', 'R096 ', & ! 1 \n & 'R097 ', 'R098 ', 'R099 ', & ! 2 \n & 'R100 ', 'R101 ', 'R102 ', & ! 3 \n & 'R103 ', 'R104 ', 'R105 ', & ! 4 \n & 'R106 ', 'R107 ', 'R108 ', & ! 5 \n & 'R109 ', 'R110 ', 'R111 ', & ! 6 \n & 'R112 ', 'R113 ', 'R114 ', & ! 7 \n & 'R115 ', 'R116 ', 'R117 ', & ! 8 \n & 'R118 ', 'R119 ', 'R120 ', & ! 9 \n & 'R121 ', 'R122 ', 'R123 ', & ! 0 \n & 'R124 ', 'R125 ', 'R126 ', & ! 1 \n & 'R127 ', 'R128 ', 'R129 ', & ! 2 \n & 'R130 ', 'R131 ', 'R132 ', & ! 3 \n & 'R133 ', 'R134 ', 'R135 ', & ! 4 \n & 'R136 ', 'R137 ', 'R138 ', & ! 5 \n & 'R139 ', 'R140 ', 'R141 ', & ! 6 \n & 'R142 ', 'R143 ', 'R144 ', & ! 7 \n & 'R145 ', 'R146 ', 'R147 ', & ! 8 \n & 'R148 ', 'R149 ', 'R150 ', & ! 9 \n & 'R151 ', 'R152 ', 'R153 ', & ! 0 \n & 'R154 ', 'R155 ', 'R156 ', & ! 1 \n & 'R157 ', 'R158 ', 'R159 ', & ! 2 \n & 'R160 ', 'R161 ', 'R162 ', & ! 3 \n & 'R163 ', 'R164 ', 'R165 ', & ! 4 \n & 'R166 ', 'R167 ', 'R168 ', & ! 5 \n & 'R169 ', 'R170 ', 'R171 ', & ! 6 \n & 'R172 ', 'R173 ', 'R174 ', & ! 7 \n & 'R175 ', 'R176 ', 'R177 ', & ! 8 \n & 'R178 ', 'R179 ', 'R180 ', & ! 9 \n & 'R181 ', 'R182 ', 'R183 ', & ! 0 \n & 'R184 ', 'R185 ', 'R186 ', & ! 1 \n & 'R187 ', 'R188 ', 'R189 ', & ! 2 \n & 'R190 ', 'R191 ', 'R192 ', & ! 3 \n & 'R193 ', 'R194 ', 'R195 ', & ! 4 \n & 'R196 ', 'R197 ', 'R198 ', & ! 5 \n & 'R199 ', 'R200 ', 'R201 ', & ! 6 \n & 'R202 ', 'R203 ', 'R204 ', & ! 7 \n & 'R205 ', 'R206 ', 'R207 ', & ! 8 \n & 'R208 ', 'R209 ', 'R210 ', & ! 9 \n & 'R211 ', 'R212 ', 'R213 ', & ! 0 \n & 'R214 ', 'R215 ', 'R216 ', & ! 1 \n & 'R217 ', 'R218 ', 'R219 ', & ! 2 \n & 'R220 ', 'R221 ', 'R222 ', & ! 3 \n & 'R223 ', 'R224 ', 'R225 ', & ! 4 \n & 'R226 ', 'R227 ', 'R228 ', & ! 5 \n & 'R229 ', 'R230 ', 'R231 ', & ! 6 \n & 'R232 ', 'R233 ', 'R234 ', & ! 7 \n & 'R235 ', 'R236 ', 'R237 ', & ! 8 \n & 'R238 ', 'R239 ', 'R240 ', & ! 9 \n & 'R241 ', 'R242 ', 'R243 ', & ! 0 \n & 'R244 ', 'R245 ', 'R246 ', & ! 1 \n & 'R247 ', 'R248 ', 'R249 ', & ! 2 \n & 'R250 ', 'R251 ', 'R252 ', & ! 3 \n & 'R253 ', 'R254 ', 'R255 ', & ! 4 \n & 'R256 ', 'R257 ', 'R258 ', & ! 5 \n & 'R259 ', 'R260 ', 'R261 ', & ! 6 \n & 'R262 ', 'R263 ', 'R264 ', & ! 7 \n & 'R265 ', 'R266 ', 'R267 ', & ! 8 \n & 'R268 ', 'R269 ', 'R270 ', & ! 9 \n & 'R271 ', 'R272 ', 'R273 ', & ! 0 \n & 'R274 ', 'R275 ', 'R276 ', & ! 1 \n & 'R277 ', 'R278 ', 'R279 ', & ! 2 \n & 'R280 ', 'R281 ', 'R282 ', & ! 3 \n & 'R283 ', 'R284 ', 'R285 ', & ! 4 \n & 'R286 ', 'R287 ', 'R288 ', & ! 5 \n & 'R289 ', 'R290 ', 'R291 ', & ! 6 \n & 'R292 ', 'R293 ', 'R294 ', & ! 7 \n & 'R295 ', 'R296 ', 'R297 ', & ! 8 \n & 'R298 ', 'R299 ', 'R300 ', & ! 9 \n & 'R301 ', 'R302 ', 'R303 ', & ! 0 \n & 'R304 ', 'R305 ', 'R306 ', & ! 1 \n & 'R307 ', 'R308 ', 'R309 ', & ! 2 \n & 'R310 ', 'R311 ', 'R312 ', & ! 3 \n & 'R313 ', 'R314 ', 'R315 ', & ! 4 \n & 'R316 ', 'R317 ', 'R318 ', & ! 5 \n & 'R319 ', 'R320 ', 'R321 ', & ! 6 \n & 'R322 ', 'R323 ', 'R324 ', & ! 7 \n & 'R325 ', 'R326 ', 'R327 ', & ! 8 \n & 'R328 ', 'R329 ', 'R330 ', & ! 9 \n & 'R331 ', 'R332 ', 'R333 ', & ! 0 \n & 'R334 ', 'R335 ', 'R336 ', & ! 1 \n & 'R337 ', 'R338 ', 'R339 ', & ! 2 \n & 'R340 ', 'R341 ', 'R342 ', & ! 3 \n & 'R343 ', 'R344 ', 'R345 ', & ! 4 \n & 'R346 ', 'R347 ', 'R348 ', & ! 5 \n & 'R349 ', 'R350 ', 'R351 ', & ! 6 \n & 'R352 ', 'R353 ', 'R354 ', & ! 7 \n & 'R355 ', 'R356 ', 'R357 ', & ! 8 \n & 'R358 ', 'R359 ', 'R360 ', & ! 9 \n & 'R361 ', 'R362 ', 'R363 ', & ! 0 \n & 'SA01 ', 'SA02 ', 'SA03 ', & ! 1 \n & 'SA04 ', 'SA05 ', 'SA06 ', & ! 2 \n & 'SA07 ', 'SA08 ', 'SA09 ', & ! 3 \n & 'SA10 ', 'SA11 ', 'SA12 ', & ! 4 \n & 'SA13 ', 'SA14 ', 'HET_N2O5 ', & ! 5 \n & 'HET_N02 ', 'HAL_Ozone ', 'HET_IEPOX ', & ! 6 \n & 'OLIG_XYLENE1 ', 'OLIG_XYLENE2 ', 'OLIG_TOLUENE1 ', & ! 7 \n & 'OLIG_TOLUENE2 ', 'OLIG_BENZENE1 ', 'OLIG_BENZENE2 ', & ! 8 \n & 'OLIG_TERPENE1 ', 'OLIG_TERPENE2 ', 'OLIG_ISOPRENE1 ', & ! 9 \n & 'OLIG_ISOPRENE2 ', 'OLIG_SESQT1 ', 'OLIG_PAH1 ', & ! 0 \n & 'OLIG_PAH2 ', 'OLIG_ALK1 ', 'OLIG_ALK2 ', & ! 1 \n & 'RPOAGEPI ', 'RPOAGELI ', 'RPOAGEPJ ', & ! 2 \n & 'RPOAGELJ ', 'PCSOA ', 'POA_AGE1 ', & ! 3 \n & 'POA_AGE2 ', 'POA_AGE3 ', 'POA_AGE4 ', & ! 4 \n & 'POA_AGE5 ', 'POA_AGE6 ', 'POA_AGE7 ', & ! 5 \n & 'POA_AGE8 ', 'POA_AGE9 ', 'POA_AGE10 '/! 6 \n\n! NSPECIAL = Number of special rate coefficients\n! SPECIAL = Names of special rate coefficients\n! NSPECIAL_RXN = Number of reactions with special rates\n! ISPECIAL = Pointers to reactions using special rates and their special rate coefficients\n! MAXSPECTERMS = Max Number of terms type used by special rate coefficients\n! KC_COEFFS = Coefficients of standard rate coefficients times concentration terms \n! INDEX_KTERMS = Pointers to standard rate coefficients in special rate coefficients\n! INDEX_CTERMS = Pointers to species concentrations in special rate coefficients\n! OPERATOR_COEFFS = Coefficients of preceeding special rate coefficients used in special coefficient \n! OPERATORS = Pointers to preceeding special rate coefficients used in special coefficient \n\n! Special Rate information not available ..\n INTEGER, PARAMETER :: NSPECIAL_RXN = 0\n INTEGER :: ISPECIAL( 1, 2 )\n\n! Special Rate information not available ...\n INTEGER, PARAMETER :: NSPECIAL = 0\n\n! Special Rate information not available ...\n CHARACTER( 16 ) :: SPECIAL( 1 )\n\n INTEGER, PARAMETER :: MAXSPECTERMS = 1\n REAL( 8 ) :: KC_COEFFS( NSPECIAL + 1, MAXSPECTERMS)\n INTEGER :: INDEX_KTERMS( NSPECIAL + 1, MAXSPECTERMS)\n INTEGER :: INDEX_CTERMS( NSPECIAL + 1, MAXSPECTERMS)\n REAL( 8 ) :: OPERATOR_COEFFS( NSPECIAL + 1, MAXSPECTERMS)\n INTEGER :: OPERATORS( NSPECIAL + 1, MAXSPECTERMS)\n\n\n! Steady-state species section\n! N_SS_SPC = Number of species assumed to be in steady-state\n! SS_SPC_DIM = Dimension paramete for steady-state species\n! SS_SPC = Names of species assumed to be in steady-state\n! MAX_SS_LOSS = Max no. of SS loss rxns for any SS species\n! MAX_SS_PROD = Max no. of SS prod rxns for any SS species\n! N_LOSS_RXNS = No. of SS loss rxns for each SS species\n! N_PROD_RXNS = No. of SS prod rxns for each SS species\n! SS_LOSS_RXNS = List of SS loss rxns for each SS species\n! SS_PROD_RXNS = List of SS prod rxns for each SS species\n! SS_PROD_COEF = List of SS prod yields for each SS species\n! SS_RCT_IND = SS species index if it is a rxn reactant\n\n INTEGER, PARAMETER :: N_SS_SPC = 0\n\n INTEGER, PARAMETER :: SS_SPC_DIM = 1\n\n INTEGER, PARAMETER :: MAX_SS_LOSS = 0\n\n INTEGER, PARAMETER :: MAX_SS_PROD = 0\n\n CHARACTER( 16 ) :: SS_SPC( 1 )\n\n INTEGER :: N_LOSS_RXNS( 1 )\n INTEGER :: N_PROD_RXNS( 1 )\n INTEGER :: SS_LOSS_RXNS( 1, 1 )\n INTEGER :: SS_PROD_RXNS( 1, 1 )\n INTEGER :: SS_RCT_IND( 1 )\n\n REAL :: SS_PROD_COEF( 1,1 ) \n LOGICAL, PARAMETER :: USE_SPECIAL_RATES = .FALSE.\n! pointers and names to specific photolysis rates\n INTEGER, PARAMETER :: IJ_O3O3P_NASA06 = 1\n INTEGER, PARAMETER :: IJ_O3O1D_NASA06 = 2\n INTEGER, PARAMETER :: IJ_H2O2_RACM2 = 3\n INTEGER, PARAMETER :: IJ_NO2_RACM2 = 4\n INTEGER, PARAMETER :: IJ_NO3NO_RACM2 = 5\n INTEGER, PARAMETER :: IJ_NO3NO2_RACM2 = 6\n INTEGER, PARAMETER :: IJ_HONO_RACM2 = 7\n INTEGER, PARAMETER :: IJ_HNO3_RACM2 = 8\n INTEGER, PARAMETER :: IJ_HNO4_RACM2 = 9\n INTEGER, PARAMETER :: IJ_HCHO_MOL_JPL19 = 10\n INTEGER, PARAMETER :: IJ_HCHO_RAD_JPL19 = 11\n INTEGER, PARAMETER :: IJ_CH3CHO_RACM2 = 12\n INTEGER, PARAMETER :: IJ_ALD_RACM2 = 13\n INTEGER, PARAMETER :: IJ_CH3COCH3_RACM2 = 14\n INTEGER, PARAMETER :: IJ_UALD_RACM2 = 15\n INTEGER, PARAMETER :: IJ_MEK_RACM2 = 16\n INTEGER, PARAMETER :: IJ_KET_RACM2 = 17\n INTEGER, PARAMETER :: IJ_HKET_RACM2 = 18\n INTEGER, PARAMETER :: IJ_MACR_RACM2 = 19\n INTEGER, PARAMETER :: IJ_MVK_RACM2 = 20\n INTEGER, PARAMETER :: IJ_GLYH2_RACM2 = 21\n INTEGER, PARAMETER :: IJ_GLYF_RACM2 = 22\n INTEGER, PARAMETER :: IJ_GLYHX_RACM2 = 23\n INTEGER, PARAMETER :: IJ_MGLY_RACM2 = 24\n INTEGER, PARAMETER :: IJ_BALD_RACM2 = 25\n INTEGER, PARAMETER :: IJ_OP1_RACM2 = 26\n INTEGER, PARAMETER :: IJ_PAA_RACM2 = 27\n INTEGER, PARAMETER :: IJ_ONIT_RACM2 = 28\n INTEGER, PARAMETER :: IJ_PAN1_RACM2 = 29\n INTEGER, PARAMETER :: IJ_PAN2_RACM2 = 30\n INTEGER, PARAMETER :: IK_HETERO_N2O5IJ = 1\n INTEGER, PARAMETER :: IK_HETERO_NO2 = 2\n INTEGER, PARAMETER :: IK_HETERO_IEPOX = 3\n INTEGER, PARAMETER :: IK_HETERO_PNCOMLI = 4\n INTEGER, PARAMETER :: IK_HETERO_PNCOMLJ = 5\n END MODULE RXNS_DATA\n" }, { "path": "CCTM/src/MECHS/racm2_ae6_aq/RXNS_FUNC_MODULE.F90", "content": " MODULE RXNS_FUNCTION\n\n\n IMPLICIT NONE\n\n\n\n! Name of Mechanism RACM2_AE6_AQ\n\n PUBLIC :: CALC_RCONST, SPECIAL_RATES, MAP_CHEMISTRY_SPECIES\n\n CONTAINS\n\n\n REAL( 8 ) FUNCTION POWER_T02( TEMPOT300,A0,B0 )\n IMPLICIT NONE\n! rate constant for CMAQ Arrhenuis reaction type 2\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: TEMPOT300\n REAL( 8 ), INTENT( IN ) :: A0\n REAL( 8 ), INTENT( IN ) :: B0\n ! Local: None\n POWER_T02 = A0 * TEMPOT300**B0\n RETURN\n END FUNCTION POWER_T02\n REAL( 8 ) FUNCTION ARRHENUIS_T04( INV_TEMP,TEMPOT300,A0,B0,C0 )\n IMPLICIT NONE\n! rate constant for CMAQ Arrhenuis reaction type 4\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: INV_TEMP\n REAL( 8 ), INTENT( IN ) :: TEMPOT300\n REAL( 8 ), INTENT( IN ) :: A0\n REAL( 8 ), INTENT( IN ) :: B0\n REAL( 8 ), INTENT( IN ) :: C0\n ! Local:\n INTRINSIC DEXP\n ARRHENUIS_T04 = A0 * DEXP( B0 * INV_TEMP ) * TEMPOT300**C0\n RETURN\n END FUNCTION ARRHENUIS_T04\n REAL( 8 ) FUNCTION ARRHENUIS_T03( INV_TEMP,A0,B0 )\n! rate constant for CMAQ Arrhenuis reaction type 3\n IMPLICIT NONE\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: INV_TEMP\n REAL( 8 ), INTENT(IN) :: A0\n REAL( 8 ), INTENT(IN) :: B0\n ! Local:\n INTRINSIC DEXP\n ARRHENUIS_T03 = A0 * DEXP( B0 * INV_TEMP )\n RETURN\n END FUNCTION ARRHENUIS_T03 \n REAL( 8 ) FUNCTION FALLOFF_T08(INV_TEMP,CAIR,A0,C0,A2,C2,A3,C3)\n! rate constant for CMAQ fall off reaction type 8\n IMPLICIT NONE\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: INV_TEMP\n REAL( 8 ), INTENT( IN ) :: CAIR\n REAL( 8 ), INTENT( IN ) :: A0\n REAL( 8 ), INTENT( IN ) :: C0\n REAL( 8 ), INTENT( IN ) :: A2\n REAL( 8 ), INTENT( IN ) :: C2\n REAL( 8 ), INTENT( IN ) :: A3\n REAL( 8 ), INTENT( IN ) :: C3\n ! Local:\n REAL( 8 ) K0\n REAL( 8 ) K2\n REAL( 8 ) K3\n INTRINSIC DEXP\n K0 = A0 * DEXP( C0 * INV_TEMP )\n K2 = A2 * DEXP( C2 * INV_TEMP )\n K3 = A3 * DEXP( C3 * INV_TEMP )\n K3 = K3 * CAIR\n FALLOFF_T08 = K0 + K3/( 1.0D0 + K3/K2 )\n RETURN\n END FUNCTION FALLOFF_T08\n REAL( 8 ) FUNCTION FALLOFF_T09(INV_TEMP,CAIR,A1,C1,A2,C2)\n! rate constant for CMAQ fall off reaction type 9\n IMPLICIT NONE\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: INV_TEMP\n REAL( 8 ), INTENT( IN ) :: CAIR\n REAL( 8 ), INTENT( IN ) :: A1\n REAL( 8 ), INTENT( IN ) :: C1\n REAL( 8 ), INTENT( IN ) :: A2\n REAL( 8 ), INTENT( IN ) :: C2\n ! Local:\n REAL( 8 ) K1\n REAL( 8 ) K2\n INTRINSIC DEXP\n K1 = A1 * DEXP( C1 * INV_TEMP )\n K2 = A2 * DEXP( C2 * INV_TEMP )\n FALLOFF_T09 = K1 + K2 * CAIR\n RETURN\n END FUNCTION FALLOFF_T09\n REAL( 8 ) FUNCTION FALLOFF_T10(INV_TEMP,TEMPOT300,CAIR,A0,B0,C0,A1,B1,C1,CE,CF)\n IMPLICIT NONE\n! rate constant for CMAQ fall off reaction type 10\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: INV_TEMP\n REAL( 8 ), INTENT( IN ) :: TEMPOT300\n REAL( 8 ), INTENT( IN ) :: CAIR\n REAL( 8 ), INTENT( IN ) :: A0\n REAL( 8 ), INTENT( IN ) :: B0\n REAL( 8 ), INTENT( IN ) :: C0\n REAL( 8 ), INTENT( IN ) :: A1\n REAL( 8 ), INTENT( IN ) :: B1\n REAL( 8 ), INTENT( IN ) :: C1\n REAL( 8 ), INTENT( IN ) :: CE\n REAL( 8 ), INTENT( IN ) :: CF\n ! Local:\n REAL( 8 ) K0\n REAL( 8 ) K1\n REAL( 8 ) KEND\n K0 = A0 * CAIR * DEXP(B0*INV_TEMP)* TEMPOT300**C0\n K1 = A1 * DEXP(B1*INV_TEMP) * TEMPOT300**C1\n KEND = ( ( 1.0D0 + ( ( 1.0D0 / CE ) * DLOG10( K0 / K1 ) ) ** 2.0D0 ) )\n KEND = 1.0D0 / KEND\n FALLOFF_T10 = ( K0 / ( 1.0D0 + K0/K1 ) ) * CF ** KEND\n RETURN\n END FUNCTION FALLOFF_T10\n REAL( 8 ) FUNCTION FALLOFF_T11(INV_TEMP,TEMPOT300,CAIR,A1,B1,C1,A2, B2, C2, D1, D2)\n! rate constant for CMAQ fall off reaction type 11\n! actually expanded form of type 9\n IMPLICIT NONE\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: INV_TEMP\n REAL( 8 ), INTENT( IN ) :: TEMPOT300\n REAL( 8 ), INTENT( IN ) :: CAIR\n REAL( 8 ), INTENT( IN ) :: A1\n REAL( 8 ), INTENT( IN ) :: B1\n REAL( 8 ), INTENT( IN ) :: C1\n REAL( 8 ), INTENT( IN ) :: A2\n REAL( 8 ), INTENT( IN ) :: B2\n REAL( 8 ), INTENT( IN ) :: C2\n REAL( 8 ), INTENT( IN ) :: D1\n REAL( 8 ), INTENT( IN ) :: D2\n ! Local:\n REAL( 8 ) K1\n REAL( 8 ) K2\n REAL( 8 ) K3\n INTRINSIC DEXP\n K1 = A1 * DEXP( C1 * INV_TEMP ) * TEMPOT300**B1\n K2 = A2 * DEXP( C2 * INV_TEMP ) * TEMPOT300**B2\n K3 = D1 * DEXP( D2 * INV_TEMP )\n FALLOFF_T11 = K1 + K2 * CAIR + K3\n RETURN\n END FUNCTION FALLOFF_T11\n REAL( 8 ) FUNCTION HALOGEN_FALLOFF(PRESS,A1,B1,A2,B2,A3)\n IMPLICIT NONE\n REAL( 8 ), INTENT( IN ) :: PRESS\n REAL( 8 ), INTENT( IN ) :: A1\n REAL( 8 ), INTENT( IN ) :: B1\n REAL( 8 ), INTENT( IN ) :: A2\n REAL( 8 ), INTENT( IN ) :: B2\n REAL( 8 ), INTENT( IN ) :: A3 ! Maximum loss rate (1/sec)\n INTRINSIC DEXP\n HALOGEN_FALLOFF = A1 * DEXP( B1 * PRESS ) + A2 * DEXP( B2 * PRESS )\n HALOGEN_FALLOFF = DMIN1 (A3, HALOGEN_FALLOFF )\n RETURN\n END FUNCTION HALOGEN_FALLOFF\n\n SUBROUTINE SPECIAL_RATES( NUMCELLS, Y, TEMP, DENS, RKI )\n! Purpose: calculate special rate operators and update\n! appropriate rate constants\n\n USE RXNS_DATA\n IMPLICIT NONE\n\n! Arguments:\n INTEGER, INTENT( IN ) :: NUMCELLS ! Number of cells in block \n REAL( 8 ), INTENT( IN ) :: Y( :, : ) ! species concs\n REAL( 8 ), INTENT( IN ) :: TEMP( : ) ! air temperature, K \n REAL( 8 ), INTENT( IN ) :: DENS( : ) ! air density, Kg/m3\n REAL( 8 ), INTENT( INOUT ) :: RKI( :, : ) ! reaction rate constant, ppm/min \n! Local:\n REAL( 8 ), PARAMETER :: DENSITY_TO_NUMBER = 2.07930D+19 ! Kg/m3 to molecules/cm3\n\n INTEGER :: NCELL\n REAL( 8 ) :: INV_TEMP\n REAL( 8 ) :: CAIR\n REAL( 8 ) :: CFACT ! scales operator if not multiplied by RKI, cm^3/(molecule) to 1/(ppm)\n REAL( 8 ) :: CFACT_SQU ! scales operator if not multiplied by RKI, cm^6/(molec^2) to 1/(ppm^2)\n! special rate operators listed below\n\n\n\n DO NCELL = 1, NUMCELLS\n INV_TEMP = 1.0D0 / TEMP( NCELL )\n CAIR = DENSITY_TO_NUMBER * DENS( NCELL )\n CFACT = 1.0D-06 * CAIR\n CFACT_SQU = 1.0D-12 * CAIR * CAIR\n\n\n! define special rate operators\n\n\n! define rate constants in terms of special rate operators \n\n END DO\n\n RETURN\n END SUBROUTINE SPECIAL_RATES\n \n SUBROUTINE CALC_RCONST( BLKTEMP, BLKPRES, BLKH2O, RJBLK, BLKHET, LSUNLIGHT, SEAWATER, RKI, NUMCELLS )\n\n!**********************************************************************\n\n! Function: To compute thermal and photolytic reaction rate\n! coefficients for each reaction.\n\n! Preconditions: Photolysis rates for individual species must have\n! been calculated and stored in RJPHOT. Expects\n! temperature in deg K, pressure in atm., water\n! vapor in ppmV, and J-values in /min.\n! Key Subroutines/Functions Called: POWER_02, ARRHRENUIS_T0*, FALLOFF_T*, HALOGEN_FALLOFF \n!***********************************************************************\n\n\n\n\n USE RXNS_DATA\n\n IMPLICIT NONE \n\n! Arguements: None \n\n REAL( 8 ), INTENT( IN ) :: BLKTEMP( : ) ! temperature, deg K \n REAL( 8 ), INTENT( IN ) :: BLKPRES( : ) ! pressure, Atm\n REAL( 8 ), INTENT( IN ) :: BLKH2O ( : ) ! water mixing ratio, ppm \n REAL( 8 ), INTENT( IN ) :: RJBLK ( :, : ) ! photolysis rates, 1/min \n REAL( 8 ), INTENT( IN ) :: BLKHET ( :, : ) ! heterogeneous rate constants, ???/min\n INTEGER, INTENT( IN ) :: NUMCELLS ! Number of cells in block \n LOGICAL, INTENT( IN ) :: LSUNLIGHT ! Is there sunlight? \n REAL( 8 ), INTENT( IN ) :: SEAWATER( : ) ! fractional area of OPEN+SURF \n REAL( 8 ), INTENT( OUT ) :: RKI ( :, : ) ! reaction rate constant, ppm/min \n!..Parameters: \n\n REAL( 8 ), PARAMETER :: COEF1 = 7.33981D+15 ! Molec/cc to ppm conv factor \n REAL( 8 ), PARAMETER :: CONSTC = 0.6D+0 ! Constant for reaction type 7\n REAL( 8 ), PARAMETER :: TI300 = 1.0D+0/300.0D+0 ! reciprocal of 300 deg K\n REAL( 8 ), PARAMETER :: SFACT = 60.D+0 ! seconds per minute \n!..External Functions: None\n\n!..Local Variables:\n\n INTEGER :: NRT ! Loop index for reaction types \n INTEGER :: IRXN ! Reaction number\n INTEGER :: JNUM ! J-value species # from PHOT)\n INTEGER :: KNUM ! Reaction # for a relative rate coeff.\n INTEGER :: N ! Loop index for reactions\n INTEGER :: NCELL ! Loop index for # of cells in the block\n REAL( 8 ) :: CAIR ! air number density (wet) [molec/cm^3]\n REAL( 8 ) :: CFACT ! Convertor cm^3/(molec*sec) to 1/(ppm*min)\n REAL( 8 ) :: CFACT_SQU ! Convertor cm^6/(molec^2*sec) to 1/(ppm^2*min)\n REAL( 8 ) :: INV_CFACT ! ppm/min to molec/(cm^3*sec)\n REAL( 8 ) :: TEMPOT300 ! temperature divided by 300 K, dimensionaless \n REAL( 8 ) :: INV_TEMP ! reciprocal of air temperature, K-1\n REAL( 8 ) :: INV_CAIR ! reciprocal of air number density (wet), [cm^3/molec]\n REAL( 8 ) :: TEMP ! air temperature, K\n REAL( 8 ) :: PRESS ! pressure [Atm] \n REAL( 8 ) :: INV_RFACT ! ppm/min to molec/(cm^3*min)\n REAL( 8 ) :: RFACT_SQU ! cm^6/(molec^2*min) to 1/(ppm^2*min)\n REAL( 8 ) :: RFACT ! cm^3/(molec*min) to 1/(ppm*min)\n REAL( 8 ) :: H2O ! concentration, [molec/cm^3] \n\n RKI = 0.0D0 \n\n! All rate constants converted from molec/cm3 to ppm\n! and 1/sec to 1/min\n\n IF( LSUNLIGHT )THEN \n DO NCELL = 1, NUMCELLS \n\n! Reaction Label R001 \n RKI( NCELL, 1) = RJBLK( NCELL, IJ_O3O3P_NASA06 )\n! Reaction Label R002 \n RKI( NCELL, 2) = RJBLK( NCELL, IJ_O3O1D_NASA06 )\n! Reaction Label R003 \n RKI( NCELL, 3) = RJBLK( NCELL, IJ_H2O2_RACM2 )\n! Reaction Label R004 \n RKI( NCELL, 4) = RJBLK( NCELL, IJ_NO2_RACM2 )\n! Reaction Label R005 \n RKI( NCELL, 5) = RJBLK( NCELL, IJ_NO3NO_RACM2 )\n! Reaction Label R006 \n RKI( NCELL, 6) = RJBLK( NCELL, IJ_NO3NO2_RACM2 )\n! Reaction Label R007 \n RKI( NCELL, 7) = RJBLK( NCELL, IJ_HONO_RACM2 )\n! Reaction Label R008 \n RKI( NCELL, 8) = RJBLK( NCELL, IJ_HNO3_RACM2 )\n! Reaction Label R009 \n RKI( NCELL, 9) = RJBLK( NCELL, IJ_HNO4_RACM2 )\n! Reaction Label R010 \n RKI( NCELL, 10) = RJBLK( NCELL, IJ_HCHO_MOL_JPL19 )\n! Reaction Label R011 \n RKI( NCELL, 11) = RJBLK( NCELL, IJ_HCHO_RAD_JPL19 )\n! Reaction Label R012 \n RKI( NCELL, 12) = RJBLK( NCELL, IJ_CH3CHO_RACM2 )\n! Reaction Label R013 \n RKI( NCELL, 13) = RJBLK( NCELL, IJ_ALD_RACM2 )\n! Reaction Label R014 \n RKI( NCELL, 14) = RJBLK( NCELL, IJ_CH3COCH3_RACM2 )\n! Reaction Label R015 \n RKI( NCELL, 15) = RJBLK( NCELL, IJ_UALD_RACM2 )\n! Reaction Label R016 \n RKI( NCELL, 16) = RJBLK( NCELL, IJ_MEK_RACM2 )\n! Reaction Label R017 \n RKI( NCELL, 17) = RJBLK( NCELL, IJ_KET_RACM2 )\n! Reaction Label R018 \n RKI( NCELL, 18) = RJBLK( NCELL, IJ_HKET_RACM2 )\n! Reaction Label R019 \n RKI( NCELL, 19) = RJBLK( NCELL, IJ_MACR_RACM2 )\n! Reaction Label R020 \n RKI( NCELL, 20) = RJBLK( NCELL, IJ_MVK_RACM2 )\n! Reaction Label R021 \n RKI( NCELL, 21) = RJBLK( NCELL, IJ_GLYH2_RACM2 )\n! Reaction Label R022 \n RKI( NCELL, 22) = RJBLK( NCELL, IJ_GLYF_RACM2 )\n! Reaction Label R023 \n RKI( NCELL, 23) = RJBLK( NCELL, IJ_GLYHX_RACM2 )\n! Reaction Label R024 \n RKI( NCELL, 24) = RJBLK( NCELL, IJ_MGLY_RACM2 )\n! Reaction Label R025 \n RKI( NCELL, 25) = RJBLK( NCELL, IJ_MGLY_RACM2 )\n! Reaction Label R026 \n RKI( NCELL, 26) = RJBLK( NCELL, IJ_MGLY_RACM2 )\n! Reaction Label R027 \n RKI( NCELL, 27) = RJBLK( NCELL, IJ_BALD_RACM2 )\n! Reaction Label R028 \n RKI( NCELL, 28) = RJBLK( NCELL, IJ_OP1_RACM2 )\n! Reaction Label R029 \n RKI( NCELL, 29) = RJBLK( NCELL, IJ_OP1_RACM2 )\n! Reaction Label R030 \n RKI( NCELL, 30) = RJBLK( NCELL, IJ_PAA_RACM2 )\n! Reaction Label R031 \n RKI( NCELL, 31) = RJBLK( NCELL, IJ_ONIT_RACM2 )\n! Reaction Label R032 \n RKI( NCELL, 32) = RJBLK( NCELL, IJ_PAN1_RACM2 )\n! Reaction Label R033 \n RKI( NCELL, 33) = RJBLK( NCELL, IJ_PAN2_RACM2 )\n\n IF ( SEAWATER (NCELL) .GT. 0.001D0 ) THEN\n! Reaction Label HAL_Ozone \n RKI( NCELL, 380) = SEAWATER (NCELL) * SFACT * HALOGEN_FALLOFF( BLKPRES( NCELL ), 6.7006D-11, 1.0743D+01, & \n & 3.4153D-08, -6.7130D-01, 2.0000D-06 )\n ELSE\n RKI( NCELL, 380) = 0.0D0 \n END IF\n\n END DO \n END IF \n\n DO NCELL = 1, NUMCELLS \n! Set-up conversion factors \n INV_TEMP = 1.0D+00 / BLKTEMP( NCELL ) \n CAIR = 1.0D+06 * COEF1 * BLKPRES( NCELL ) * INV_TEMP \n CFACT = 6.0D-05 * CAIR\n CFACT_SQU = 6.0D-11 * CAIR * CAIR \n INV_CAIR = 1.0D0 / CAIR \n INV_CFACT = 6.0D+07 * INV_CAIR \n TEMP = BLKTEMP( NCELL ) \n TEMPOT300 = BLKTEMP( NCELL ) * TI300 \n RFACT = 1.0D+06 * INV_CAIR \n RFACT_SQU = 1.0D+12 * INV_CAIR * INV_CAIR \n\n! Reaction Label R034 \n RKI( NCELL, 34) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.7000D-12, -9.4000D+02 )\n! Reaction Label R035 \n RKI( NCELL, 35) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.0000D-14, -4.9000D+02 )\n! Reaction Label R036 \n RKI( NCELL, 36) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.4000D-12, -1.3100D+03 )\n! Reaction Label R037 \n RKI( NCELL, 37) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.4000D-13, -2.4700D+03 )\n! Reaction Label R038 \n RKI( NCELL, 38) = CFACT_SQU * POWER_T02( TEMPOT300, 5.7400D-34, -2.6000D+00 )\n! Reaction Label R039 \n RKI( NCELL, 39) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.0000D-12, -2.0600D+03 )\n! Reaction Label R040 \n RKI( NCELL, 40) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.3000D-11, 6.7000D+01 )\n! Reaction Label R041 \n RKI( NCELL, 41) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.0000D-11, 1.3000D+02 )\n! Reaction Label R042 \n RKI( NCELL, 42) = 2.1400D-10 * CFACT \n! Reaction Label R043 \n RKI( NCELL, 43) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.7000D-12, -2.1000D+03 )\n! Reaction Label R044 \n RKI( NCELL, 44) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.8000D-11, 2.5000D+02 )\n! Reaction Label R045 \n RKI( NCELL, 45) = CFACT * FALLOFF_T09( INV_TEMP, CAIR, & \n & 2.2000D-13, 6.0000D+02, 1.9000D-33, & \n & 9.8000D+02 )\n! Reaction Label R046 \n RKI( NCELL, 46) = CFACT_SQU * FALLOFF_T09( INV_TEMP, CAIR, & \n & 3.0800D-34, 2.8000D+03, 2.5900D-54, & \n & 3.1800D+03 )\n! Reaction Label R047 \n RKI( NCELL, 47) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9000D-12, -1.6000D+02 )\n! Reaction Label R048 \n RKI( NCELL, 48) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 9.0000D-32, 0.0000D+00, -1.5000D+00, & \n & 3.0000D-11, 0.0000D+00, 0.0000D+00, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label R049 \n RKI( NCELL, 49) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 7.0000D-31, 0.0000D+00, -2.6000D+00, & \n & 3.6000D-11, 0.0000D+00, -1.0000D-01, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label R050 \n RKI( NCELL, 50) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.4500D-12, 2.7000D+02 )\n! Reaction Label R051 \n RKI( NCELL, 51) = CFACT * FALLOFF_T11( INV_TEMP,TEMPOT300,CAIR, & \n & 6.0950D-14, -1.0000D+00, 2.7000D+02, &\n & 6.8570D-34, 1.0000D+00, 2.7000D+02, & \n & -5.9680D-14, 2.7000D+02 )\n! Reaction Label R052 \n RKI( NCELL, 52) = CFACT_SQU * ARRHENUIS_T03( INV_TEMP, 3.3000D-39, 5.3000D+02 )\n! Reaction Label R053 \n RKI( NCELL, 53) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.5000D-12, 2.6000D+02 )\n! Reaction Label R054 \n RKI( NCELL, 54) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.5000D-12, 1.8800D+02 )\n! Reaction Label R055 \n RKI( NCELL, 55) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 2.5000D-31, 0.0000D+00, -1.8000D+00, & \n & 2.2000D-11, 0.0000D+00, -7.0000D-01, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label R056 \n RKI( NCELL, 56) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 1.5100D-30, 0.0000D+00, -3.0000D+00, & \n & 2.5800D-11, 0.0000D+00, 0.0000D+00, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label R057 \n RKI( NCELL, 57) = CFACT * FALLOFF_T08( INV_TEMP, CAIR, & \n & 2.4000D-14, 4.6000D+02, 2.7000D-17, & \n & 2.1990D+03, 6.5000D-34, 1.3350D+03 )\n! Reaction Label R058 \n RKI( NCELL, 58) = 2.0000D-11 * CFACT \n! Reaction Label R059 \n RKI( NCELL, 59) = 4.0000D-12 * CFACT \n! Reaction Label R060 \n RKI( NCELL, 60) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.8000D-11, 1.1000D+02 )\n! Reaction Label R061 \n RKI( NCELL, 61) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.5000D-14, -1.2600D+03 )\n! Reaction Label R062 \n RKI( NCELL, 62) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.5000D-13, -2.4500D+03 )\n! Reaction Label R063 \n RKI( NCELL, 63) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 2.0000D-30, 0.0000D+00, -4.4000D+00, & \n & 1.4000D-12, 0.0000D+00, -7.0000D-01, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label R064 \n RKI( NCELL, 64) = RFACT * RKI( NCELL, 63 ) & \n & * ( 3.7037D+26 * DEXP( -1.1000D+04 * INV_TEMP) ) \n! Reaction Label R065 \n RKI( NCELL, 65) = 1.0000D-22 * CFACT \n! Reaction Label R066 \n RKI( NCELL, 66) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 2.0000D-31, 0.0000D+00, -3.4000D+00, & \n & 2.9000D-12, 0.0000D+00, -1.1000D+00, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label R067 \n RKI( NCELL, 67) = RFACT * RKI( NCELL, 66 ) & \n & * ( 4.7619D+26 * DEXP( -1.0900D+04 * INV_TEMP) ) \n! Reaction Label R068 \n RKI( NCELL, 68) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.3000D-12, 3.8000D+02 )\n! Reaction Label R069 \n RKI( NCELL, 69) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 3.3000D-31, 0.0000D+00, -4.3000D+00, & \n & 1.6000D-12, 0.0000D+00, 0.0000D+00, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label R070 \n RKI( NCELL, 70) = CFACT * FALLOFF_T09( INV_TEMP, CAIR, & \n & 1.4400D-13, 0.0000D+00, 2.8800D-33, & \n & 0.0000D+00 )\n! Reaction Label R071 \n RKI( NCELL, 71) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.8500D-12, -1.6900D+03 )\n! Reaction Label R072 \n RKI( NCELL, 72) = CFACT * ARRHENUIS_T03( INV_TEMP, 6.9000D-12, -1.0000D+03 )\n! Reaction Label R073 \n RKI( NCELL, 73) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.6800D-12, -3.7000D+02 )\n! Reaction Label R074 \n RKI( NCELL, 74) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.0100D-11, -2.4500D+02 )\n! Reaction Label R075 \n RKI( NCELL, 75) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.8200D-11, -2.7300D+02 )\n! Reaction Label R076 \n RKI( NCELL, 76) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 1.0000D-28, 0.0000D+00, -4.5000D+00, & \n & 8.8000D-12, 0.0000D+00, -8.5000D-01, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label R077 \n RKI( NCELL, 77) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.7200D-12, 5.0000D+02 )\n! Reaction Label R078 \n RKI( NCELL, 78) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.3300D-11, 5.0000D+02 )\n! Reaction Label R079 \n RKI( NCELL, 79) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.4800D-11, 4.4800D+02 )\n! Reaction Label R080 \n RKI( NCELL, 80) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 5.5000D-30, 0.0000D+00, 0.0000D+00, & \n & 8.3000D-13, 0.0000D+00, 2.0000D+00, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label R081 \n RKI( NCELL, 81) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.3300D-12, -1.9300D+02 )\n! Reaction Label R082 \n RKI( NCELL, 82) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.8100D-12, 3.5400D+02 )\n! Reaction Label R083 \n RKI( NCELL, 83) = 2.3100D-11 * CFACT \n! Reaction Label R084 \n RKI( NCELL, 84) = 1.4300D-11 * CFACT \n! Reaction Label R085 \n RKI( NCELL, 85) = 1.3600D-11 * CFACT \n! Reaction Label R086 \n RKI( NCELL, 86) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-11, 3.9000D+02 )\n! Reaction Label R087 \n RKI( NCELL, 87) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.2100D-11, 4.4000D+02 )\n! Reaction Label R088 \n RKI( NCELL, 88) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.2000D-11, 4.0100D+02 )\n! Reaction Label R089 \n RKI( NCELL, 89) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.5000D-12, 1.2500D+02 )\n! Reaction Label R090 \n RKI( NCELL, 90) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.7000D-12, 3.4500D+02 )\n! Reaction Label R091 \n RKI( NCELL, 91) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.9000D-12, 4.0500D+02 )\n! Reaction Label R092 \n RKI( NCELL, 92) = CFACT * ARRHENUIS_T04( INV_TEMP, TEMPOT300, & \n & 4.5600D-14, -4.2700D+02, 3.6500D+00 )\n! Reaction Label R093 \n RKI( NCELL, 93) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.5000D-12, -9.0000D+01 )\n! Reaction Label R094 \n RKI( NCELL, 94) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.8000D-12, 1.0000D+01 )\n! Reaction Label R095 \n RKI( NCELL, 95) = 3.0000D-12 * CFACT \n! Reaction Label R096 \n RKI( NCELL, 96) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.0000D-12, 3.8000D+02 )\n! Reaction Label R097 \n RKI( NCELL, 97) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.6000D-12, 6.1000D+02 )\n! Reaction Label R098 \n RKI( NCELL, 98) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.7700D-12, 5.3300D+02 )\n! Reaction Label R099 \n RKI( NCELL, 99) = 1.1000D-11 * CFACT \n! Reaction Label R100 \n RKI( NCELL, 100) = CFACT * ARRHENUIS_T03( INV_TEMP, 9.2600D-13, 8.3000D+02 )\n! Reaction Label R101 \n RKI( NCELL, 101) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.8000D-11, 1.7500D+02 )\n! Reaction Label R102 \n RKI( NCELL, 102) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.8000D-11, 1.7500D+02 )\n! Reaction Label R103 \n RKI( NCELL, 103) = 1.0000D-11 * CFACT \n! Reaction Label R104 \n RKI( NCELL, 104) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.3200D-12, 2.4300D+02 )\n! Reaction Label R105 \n RKI( NCELL, 105) = CFACT * ARRHENUIS_T03( INV_TEMP, 6.7500D-12, 4.0500D+02 )\n! Reaction Label R106 \n RKI( NCELL, 106) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.6500D-11, 0.0000D+00 )\n! Reaction Label R107 \n RKI( NCELL, 107) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.8000D-11, 1.7500D+02 )\n! Reaction Label R108 \n RKI( NCELL, 108) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.0500D-10, 0.0000D+00 )\n! Reaction Label R109 \n RKI( NCELL, 109) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.8500D-12, -3.4500D+02 )\n! Reaction Label R110 \n RKI( NCELL, 110) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.0000D-12, 2.0000D+01 )\n! Reaction Label R111 \n RKI( NCELL, 111) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.6000D-12, 2.0000D+02 )\n! Reaction Label R112 \n RKI( NCELL, 112) = 1.4700D-11 * CFACT \n! Reaction Label R113 \n RKI( NCELL, 113) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9000D-12, 1.9000D+02 )\n! Reaction Label R114 \n RKI( NCELL, 114) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.4000D-12, 1.9000D+02 )\n! Reaction Label R115 \n RKI( NCELL, 115) = 1.0000D-10 * CFACT \n! Reaction Label R116 \n RKI( NCELL, 116) = 3.0000D-11 * CFACT \n! Reaction Label R117 \n RKI( NCELL, 117) = 4.5000D-13 * CFACT \n! Reaction Label R118 \n RKI( NCELL, 118) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.0000D-14, 8.5000D+02 )\n! Reaction Label R119 \n RKI( NCELL, 119) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9300D-12, 1.9000D+02 )\n! Reaction Label R120 \n RKI( NCELL, 120) = 4.0000D-14 * CFACT \n! Reaction Label R121 \n RKI( NCELL, 121) = 4.0000D-14 * CFACT \n! Reaction Label R122 \n RKI( NCELL, 122) = 3.2000D-11 * CFACT \n! Reaction Label R123 \n RKI( NCELL, 123) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.3100D-12, -2.6000D+02 )\n! Reaction Label R124 \n RKI( NCELL, 124) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.6000D-12, 2.7000D+02 )\n! Reaction Label R125 \n RKI( NCELL, 125) = 1.3000D-11 * CFACT \n! Reaction Label R126 \n RKI( NCELL, 126) = CFACT * ARRHENUIS_T03( INV_TEMP, 9.1400D-15, -2.5800D+03 )\n! Reaction Label R127 \n RKI( NCELL, 127) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.3300D-15, -1.8000D+03 )\n! Reaction Label R128 \n RKI( NCELL, 128) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.4000D-15, -8.4500D+02 )\n! Reaction Label R129 \n RKI( NCELL, 129) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.3400D-14, -2.2830D+03 )\n! Reaction Label R130 \n RKI( NCELL, 130) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.8600D-15, -1.9130D+03 )\n! Reaction Label R131 \n RKI( NCELL, 131) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.0000D-16, -5.3000D+02 )\n! Reaction Label R132 \n RKI( NCELL, 132) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9500D-15, -7.8300D+02 )\n! Reaction Label R133 \n RKI( NCELL, 133) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.3600D-15, -2.1120D+03 )\n! Reaction Label R134 \n RKI( NCELL, 134) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.5000D-16, -1.5200D+03 )\n! Reaction Label R135 \n RKI( NCELL, 135) = 1.6600D-18 * CFACT \n! Reaction Label R136 \n RKI( NCELL, 136) = 2.0000D-16 * CFACT \n! Reaction Label R137 \n RKI( NCELL, 137) = 2.0000D-16 * CFACT \n! Reaction Label R138 \n RKI( NCELL, 138) = 9.0000D-17 * CFACT \n! Reaction Label R139 \n RKI( NCELL, 139) = 5.0000D-16 * CFACT \n! Reaction Label R140 \n RKI( NCELL, 140) = 2.8600D-13 * CFACT \n! Reaction Label R141 \n RKI( NCELL, 141) = CFACT * ARRHENUIS_T04( INV_TEMP, TEMPOT300, & \n & 4.3920D-13, -2.2820D+03, 2.0000D+00 )\n! Reaction Label R142 \n RKI( NCELL, 142) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.7900D-13, -4.5000D+02 )\n! Reaction Label R143 \n RKI( NCELL, 143) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.6400D-13, 4.5000D+02 )\n! Reaction Label R144 \n RKI( NCELL, 144) = 1.0000D-13 * CFACT \n! Reaction Label R145 \n RKI( NCELL, 145) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.0300D-12, -4.4600D+02 )\n! Reaction Label R146 \n RKI( NCELL, 146) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.1900D-12, 4.9000D+02 )\n! Reaction Label R147 \n RKI( NCELL, 147) = 1.2200D-11 * CFACT \n! Reaction Label R148 \n RKI( NCELL, 148) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.0000D-12, -2.4400D+03 )\n! Reaction Label R149 \n RKI( NCELL, 149) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.4000D-12, -1.9000D+03 )\n! Reaction Label R150 \n RKI( NCELL, 150) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.7600D-12, -1.9000D+03 )\n! Reaction Label R151 \n RKI( NCELL, 151) = 3.4000D-15 * CFACT \n! Reaction Label R152 \n RKI( NCELL, 152) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.0200D-13, -1.0760D+03 )\n! Reaction Label R153 \n RKI( NCELL, 153) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9000D-12, -1.9000D+03 )\n! Reaction Label R154 \n RKI( NCELL, 154) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.7600D-12, -1.9000D+03 )\n! Reaction Label R155 \n RKI( NCELL, 155) = 3.7800D-12 * CFACT \n! Reaction Label R156 \n RKI( NCELL, 156) = 1.0600D-12 * CFACT \n! Reaction Label R157 \n RKI( NCELL, 157) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.8700D-13, -1.0000D+03 )\n! Reaction Label R158 \n RKI( NCELL, 158) = 2.0100D-10 * CFACT \n! Reaction Label R159 \n RKI( NCELL, 159) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.2000D-14, -5.0000D+02 )\n! Reaction Label R160 \n RKI( NCELL, 160) = 1.0000D+03 * SFACT \n! Reaction Label R161 \n RKI( NCELL, 161) = 1.0000D+03 * SFACT \n! Reaction Label R162 \n RKI( NCELL, 162) = 1.0000D+03 * SFACT \n! Reaction Label R163 \n RKI( NCELL, 163) = 1.0000D+03 * SFACT \n! Reaction Label R164 \n RKI( NCELL, 164) = 1.0000D+03 * SFACT \n! Reaction Label R165 \n RKI( NCELL, 165) = 1.0000D+03 * SFACT \n! Reaction Label R166 \n RKI( NCELL, 166) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 9.7000D-29, 0.0000D+00, -5.6000D+00, & \n & 9.3000D-12, 0.0000D+00, -1.5000D+00, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label R167 \n RKI( NCELL, 167) = RFACT * RKI( NCELL, 166 ) & \n & * ( 1.1111D+28 * DEXP( -1.4000D+04 * INV_TEMP) ) \n! Reaction Label R168 \n RKI( NCELL, 168) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 9.7000D-29, 0.0000D+00, -5.6000D+00, & \n & 9.3000D-12, 0.0000D+00, -1.5000D+00, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label R169 \n RKI( NCELL, 169) = RFACT * RKI( NCELL, 168 ) & \n & * ( 1.1111D+28 * DEXP( -1.4000D+04 * INV_TEMP) ) \n! Reaction Label R170 \n RKI( NCELL, 170) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.8000D-12, 1.8100D+02 )\n! Reaction Label R171 \n RKI( NCELL, 171) = SFACT * ARRHENUIS_T03( INV_TEMP, 1.6000D+16, -1.3486D+04 )\n! Reaction Label R172 \n RKI( NCELL, 172) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.8000D-12, 3.0000D+02 )\n! Reaction Label R173 \n RKI( NCELL, 173) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.6000D-12, 3.6500D+02 )\n! Reaction Label R174 \n RKI( NCELL, 174) = 4.0000D-12 * CFACT \n! Reaction Label R175 \n RKI( NCELL, 175) = 4.0000D-12 * CFACT \n! Reaction Label R176 \n RKI( NCELL, 176) = 4.0000D-12 * CFACT \n! Reaction Label R177 \n RKI( NCELL, 177) = 9.0000D-12 * CFACT \n! Reaction Label R178 \n RKI( NCELL, 178) = 4.0000D-12 * CFACT \n! Reaction Label R179 \n RKI( NCELL, 179) = 4.0000D-12 * CFACT \n! Reaction Label R180 \n RKI( NCELL, 180) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.5400D-12, 3.6000D+02 )\n! Reaction Label R181 \n RKI( NCELL, 181) = 4.0000D-12 * CFACT \n! Reaction Label R182 \n RKI( NCELL, 182) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label R183 \n RKI( NCELL, 183) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label R184 \n RKI( NCELL, 184) = 4.0000D-12 * CFACT \n! Reaction Label R185 \n RKI( NCELL, 185) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label R186 \n RKI( NCELL, 186) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label R187 \n RKI( NCELL, 187) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label R188 \n RKI( NCELL, 188) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.4300D-12, 3.6000D+02 )\n! Reaction Label R189 \n RKI( NCELL, 189) = 4.0000D-12 * CFACT \n! Reaction Label R190 \n RKI( NCELL, 190) = 4.0000D-12 * CFACT \n! Reaction Label R191 \n RKI( NCELL, 191) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.1000D-12, 2.7000D+02 )\n! Reaction Label R192 \n RKI( NCELL, 192) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.1000D-12, 2.7000D+02 )\n! Reaction Label R193 \n RKI( NCELL, 193) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9000D-12, 3.0000D+02 )\n! Reaction Label R194 \n RKI( NCELL, 194) = 4.0000D-12 * CFACT \n! Reaction Label R195 \n RKI( NCELL, 195) = 4.0000D-12 * CFACT \n! Reaction Label R196 \n RKI( NCELL, 196) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.5400D-12, 3.6000D+02 )\n! Reaction Label R197 \n RKI( NCELL, 197) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.5400D-12, 3.6000D+02 )\n! Reaction Label R198 \n RKI( NCELL, 198) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.5400D-12, 3.6000D+02 )\n! Reaction Label R199 \n RKI( NCELL, 199) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.5400D-12, 3.6000D+02 )\n! Reaction Label R200 \n RKI( NCELL, 200) = 4.0000D-12 * CFACT \n! Reaction Label R201 \n RKI( NCELL, 201) = 4.0000D-12 * CFACT \n! Reaction Label R202 \n RKI( NCELL, 202) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label R203 \n RKI( NCELL, 203) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label R204 \n RKI( NCELL, 204) = 4.0000D-12 * CFACT \n! Reaction Label R205 \n RKI( NCELL, 205) = 4.0000D-12 * CFACT \n! Reaction Label R206 \n RKI( NCELL, 206) = 4.0000D-12 * CFACT \n! Reaction Label R207 \n RKI( NCELL, 207) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label R208 \n RKI( NCELL, 208) = 4.0000D-12 * CFACT \n! Reaction Label R209 \n RKI( NCELL, 209) = 2.0000D-11 * CFACT \n! Reaction Label R210 \n RKI( NCELL, 210) = 2.0000D-11 * CFACT \n! Reaction Label R211 \n RKI( NCELL, 211) = 2.0800D-12 * CFACT \n! Reaction Label R212 \n RKI( NCELL, 212) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.1000D-13, 7.5000D+02 )\n! Reaction Label R213 \n RKI( NCELL, 213) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.5000D-13, 7.0000D+02 )\n! Reaction Label R214 \n RKI( NCELL, 214) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.6600D-13, 1.3000D+03 )\n! Reaction Label R215 \n RKI( NCELL, 215) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.6600D-13, 1.3000D+03 )\n! Reaction Label R216 \n RKI( NCELL, 216) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.6600D-13, 1.3000D+03 )\n! Reaction Label R217 \n RKI( NCELL, 217) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.9000D-13, 1.3000D+03 )\n! Reaction Label R218 \n RKI( NCELL, 218) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.6600D-13, 1.3000D+03 )\n! Reaction Label R219 \n RKI( NCELL, 219) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.6600D-13, 1.3000D+03 )\n! Reaction Label R220 \n RKI( NCELL, 220) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9100D-13, 1.3000D+03 )\n! Reaction Label R221 \n RKI( NCELL, 221) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.7500D-13, 9.8000D+02 )\n! Reaction Label R222 \n RKI( NCELL, 222) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.7500D-13, 9.8000D+02 )\n! Reaction Label R223 \n RKI( NCELL, 223) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.7500D-13, 9.8000D+02 )\n! Reaction Label R224 \n RKI( NCELL, 224) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.7500D-13, 9.8000D+02 )\n! Reaction Label R225 \n RKI( NCELL, 225) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.7500D-13, 9.8000D+02 )\n! Reaction Label R226 \n RKI( NCELL, 226) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.7500D-13, 9.8000D+02 )\n! Reaction Label R227 \n RKI( NCELL, 227) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.7500D-13, 9.8000D+02 )\n! Reaction Label R228 \n RKI( NCELL, 228) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.0500D-13, 1.3000D+03 )\n! Reaction Label R229 \n RKI( NCELL, 229) = 1.5000D-11 * CFACT \n! Reaction Label R230 \n RKI( NCELL, 230) = 1.5000D-11 * CFACT \n! Reaction Label R231 \n RKI( NCELL, 231) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.3000D-13, 1.0400D+03 )\n! Reaction Label R232 \n RKI( NCELL, 232) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.3000D-13, 1.0400D+03 )\n! Reaction Label R233 \n RKI( NCELL, 233) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.1500D-13, 1.3000D+03 )\n! Reaction Label R234 \n RKI( NCELL, 234) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.1500D-13, 1.3000D+03 )\n! Reaction Label R235 \n RKI( NCELL, 235) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.1500D-13, 1.3000D+03 )\n! Reaction Label R236 \n RKI( NCELL, 236) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.8200D-13, 1.3000D+03 )\n! Reaction Label R237 \n RKI( NCELL, 237) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.8200D-13, 1.3000D+03 )\n! Reaction Label R238 \n RKI( NCELL, 238) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9100D-13, 1.3000D+03 )\n! Reaction Label R239 \n RKI( NCELL, 239) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9100D-13, 1.3000D+03 )\n! Reaction Label R240 \n RKI( NCELL, 240) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.7500D-13, 9.8000D+02 )\n! Reaction Label R241 \n RKI( NCELL, 241) = 1.0000D-11 * CFACT \n! Reaction Label R242 \n RKI( NCELL, 242) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.7500D-13, 9.8000D+02 )\n! Reaction Label R243 \n RKI( NCELL, 243) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.1500D-13, 1.3000D+03 )\n! Reaction Label R244 \n RKI( NCELL, 244) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.6600D-13, 1.3000D+03 )\n! Reaction Label R245 \n RKI( NCELL, 245) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.6600D-13, 1.3000D+03 )\n! Reaction Label R246 \n RKI( NCELL, 246) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.7500D-13, 9.8000D+02 )\n! Reaction Label R247 \n RKI( NCELL, 247) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.6600D-13, 1.3000D+03 )\n! Reaction Label R248 \n RKI( NCELL, 248) = CFACT * ARRHENUIS_T03( INV_TEMP, 9.5000D-14, 3.9000D+02 )\n! Reaction Label R249 \n RKI( NCELL, 249) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.1800D-13, 1.5800D+02 )\n! Reaction Label R250 \n RKI( NCELL, 250) = CFACT * ARRHENUIS_T03( INV_TEMP, 9.4600D-14, 4.3100D+02 )\n! Reaction Label R251 \n RKI( NCELL, 251) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.0000D-13, 4.6700D+02 )\n! Reaction Label R252 \n RKI( NCELL, 252) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.3400D-14, 6.3300D+02 )\n! Reaction Label R253 \n RKI( NCELL, 253) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.7100D-13, 7.0800D+02 )\n! Reaction Label R254 \n RKI( NCELL, 254) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.4600D-13, 7.0800D+02 )\n! Reaction Label R255 \n RKI( NCELL, 255) = CFACT * ARRHENUIS_T03( INV_TEMP, 9.1800D-14, 7.0800D+02 )\n! Reaction Label R256 \n RKI( NCELL, 256) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.5600D-14, 7.0800D+02 )\n! Reaction Label R257 \n RKI( NCELL, 257) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.5600D-14, 7.0800D+02 )\n! Reaction Label R258 \n RKI( NCELL, 258) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.5600D-14, 7.0800D+02 )\n! Reaction Label R259 \n RKI( NCELL, 259) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.5600D-14, 7.0800D+02 )\n! Reaction Label R260 \n RKI( NCELL, 260) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.5600D-14, 7.0800D+02 )\n! Reaction Label R261 \n RKI( NCELL, 261) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.5600D-14, 7.0800D+02 )\n! Reaction Label R262 \n RKI( NCELL, 262) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.5600D-14, 7.0800D+02 )\n! Reaction Label R263 \n RKI( NCELL, 263) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.5600D-14, 7.0800D+02 )\n! Reaction Label R264 \n RKI( NCELL, 264) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.4000D-14, 2.2100D+02 )\n! Reaction Label R265 \n RKI( NCELL, 265) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.5600D-14, 7.0800D+02 )\n! Reaction Label R266 \n RKI( NCELL, 266) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.5600D-14, 7.0800D+02 )\n! Reaction Label R267 \n RKI( NCELL, 267) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.0000D-11, 5.0000D+02 )\n! Reaction Label R268 \n RKI( NCELL, 268) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.0000D-11, 5.0000D+02 )\n! Reaction Label R269 \n RKI( NCELL, 269) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.5000D-13, 5.0000D+02 )\n! Reaction Label R270 \n RKI( NCELL, 270) = CFACT * ARRHENUIS_T03( INV_TEMP, 6.9100D-13, 5.0800D+02 )\n! Reaction Label R271 \n RKI( NCELL, 271) = CFACT * ARRHENUIS_T03( INV_TEMP, 6.9100D-13, 5.0800D+02 )\n! Reaction Label R272 \n RKI( NCELL, 272) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.4000D-14, 2.2100D+02 )\n! Reaction Label R273 \n RKI( NCELL, 273) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.4000D-14, 2.2100D+02 )\n! Reaction Label R274 \n RKI( NCELL, 274) = 8.3700D-14 * CFACT \n! Reaction Label R275 \n RKI( NCELL, 275) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.4000D-14, 2.2100D+02 )\n! Reaction Label R276 \n RKI( NCELL, 276) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.5600D-14, 7.0800D+02 )\n! Reaction Label R277 \n RKI( NCELL, 277) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.5600D-14, 7.0800D+02 )\n! Reaction Label R278 \n RKI( NCELL, 278) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.5600D-14, 7.0800D+02 )\n! Reaction Label R279 \n RKI( NCELL, 279) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.5600D-14, 7.0800D+02 )\n! Reaction Label R280 \n RKI( NCELL, 280) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.5000D-13, 5.0000D+02 )\n! Reaction Label R281 \n RKI( NCELL, 281) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.6000D-13, 7.0800D+02 )\n! Reaction Label R282 \n RKI( NCELL, 282) = CFACT * ARRHENUIS_T03( INV_TEMP, 9.6800D-14, 7.0800D+02 )\n! Reaction Label R283 \n RKI( NCELL, 283) = 3.5600D-14 * CFACT \n! Reaction Label R284 \n RKI( NCELL, 284) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.9900D-15, 1.5100D+03 )\n! Reaction Label R285 \n RKI( NCELL, 285) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.0300D-12, 2.1100D+02 )\n! Reaction Label R286 \n RKI( NCELL, 286) = CFACT * ARRHENUIS_T03( INV_TEMP, 6.9000D-13, 4.6000D+02 )\n! Reaction Label R287 \n RKI( NCELL, 287) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.5900D-13, 5.2200D+02 )\n! Reaction Label R288 \n RKI( NCELL, 288) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.4700D-13, 6.8300D+02 )\n! Reaction Label R289 \n RKI( NCELL, 289) = CFACT * ARRHENUIS_T03( INV_TEMP, 9.4800D-13, 7.6500D+02 )\n! Reaction Label R290 \n RKI( NCELL, 290) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.1100D-13, 7.6500D+02 )\n! Reaction Label R291 \n RKI( NCELL, 291) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.0900D-13, 7.6500D+02 )\n! Reaction Label R292 \n RKI( NCELL, 292) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4000D-13, 7.6500D+02 )\n! Reaction Label R293 \n RKI( NCELL, 293) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4000D-13, 7.6500D+02 )\n! Reaction Label R294 \n RKI( NCELL, 294) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4000D-13, 7.6500D+02 )\n! Reaction Label R295 \n RKI( NCELL, 295) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4000D-13, 7.6500D+02 )\n! Reaction Label R296 \n RKI( NCELL, 296) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4000D-13, 7.6500D+02 )\n! Reaction Label R297 \n RKI( NCELL, 297) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4000D-13, 7.6500D+02 )\n! Reaction Label R298 \n RKI( NCELL, 298) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4000D-13, 7.6500D+02 )\n! Reaction Label R299 \n RKI( NCELL, 299) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4000D-13, 7.6500D+02 )\n! Reaction Label R300 \n RKI( NCELL, 300) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.4000D-14, 2.2100D+02 )\n! Reaction Label R301 \n RKI( NCELL, 301) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4000D-13, 7.6500D+02 )\n! Reaction Label R302 \n RKI( NCELL, 302) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4000D-13, 7.6500D+02 )\n! Reaction Label R303 \n RKI( NCELL, 303) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.5000D-12, 5.0000D+02 )\n! Reaction Label R304 \n RKI( NCELL, 304) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.5000D-12, 5.0000D+02 )\n! Reaction Label R305 \n RKI( NCELL, 305) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.5100D-13, 5.6500D+02 )\n! Reaction Label R306 \n RKI( NCELL, 306) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.5100D-13, 5.6500D+02 )\n! Reaction Label R307 \n RKI( NCELL, 307) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.5100D-13, 5.6500D+02 )\n! Reaction Label R308 \n RKI( NCELL, 308) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.4000D-14, 2.2100D+02 )\n! Reaction Label R309 \n RKI( NCELL, 309) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.4000D-14, 2.2100D+02 )\n! Reaction Label R310 \n RKI( NCELL, 310) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.6800D-12, 5.0000D+02 )\n! Reaction Label R311 \n RKI( NCELL, 311) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.6800D-12, 5.0000D+02 )\n! Reaction Label R312 \n RKI( NCELL, 312) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4000D-13, 7.6500D+02 )\n! Reaction Label R313 \n RKI( NCELL, 313) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4000D-13, 7.6500D+02 )\n! Reaction Label R314 \n RKI( NCELL, 314) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4000D-13, 7.0800D+02 )\n! Reaction Label R315 \n RKI( NCELL, 315) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4000D-13, 7.0800D+02 )\n! Reaction Label R316 \n RKI( NCELL, 316) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.5100D-13, 5.6500D+02 )\n! Reaction Label R317 \n RKI( NCELL, 317) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.8500D-13, 7.6500D+02 )\n! Reaction Label R318 \n RKI( NCELL, 318) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.3700D-13, 7.6500D+02 )\n! Reaction Label R319 \n RKI( NCELL, 319) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4000D-13, 7.0800D+02 )\n! Reaction Label R320 \n RKI( NCELL, 320) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.4000D-14, 1.5600D+03 )\n! Reaction Label R321 \n RKI( NCELL, 321) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.5000D-12, 5.0000D+02 )\n! Reaction Label R322 \n RKI( NCELL, 322) = 1.2000D-12 * CFACT \n! Reaction Label R323 \n RKI( NCELL, 323) = 1.2000D-12 * CFACT \n! Reaction Label R324 \n RKI( NCELL, 324) = 1.2000D-12 * CFACT \n! Reaction Label R325 \n RKI( NCELL, 325) = 1.2000D-12 * CFACT \n! Reaction Label R326 \n RKI( NCELL, 326) = 1.2000D-12 * CFACT \n! Reaction Label R327 \n RKI( NCELL, 327) = 1.2000D-12 * CFACT \n! Reaction Label R328 \n RKI( NCELL, 328) = 1.2000D-12 * CFACT \n! Reaction Label R329 \n RKI( NCELL, 329) = 1.2000D-12 * CFACT \n! Reaction Label R330 \n RKI( NCELL, 330) = 1.2000D-12 * CFACT \n! Reaction Label R331 \n RKI( NCELL, 331) = 1.2000D-12 * CFACT \n! Reaction Label R332 \n RKI( NCELL, 332) = 1.2000D-12 * CFACT \n! Reaction Label R333 \n RKI( NCELL, 333) = 1.2000D-12 * CFACT \n! Reaction Label R334 \n RKI( NCELL, 334) = 1.2000D-12 * CFACT \n! Reaction Label R335 \n RKI( NCELL, 335) = 1.2000D-12 * CFACT \n! Reaction Label R336 \n RKI( NCELL, 336) = 1.2000D-12 * CFACT \n! Reaction Label R337 \n RKI( NCELL, 337) = 1.2000D-12 * CFACT \n! Reaction Label R338 \n RKI( NCELL, 338) = 1.2000D-12 * CFACT \n! Reaction Label R339 \n RKI( NCELL, 339) = 1.2000D-12 * CFACT \n! Reaction Label R340 \n RKI( NCELL, 340) = 1.2000D-12 * CFACT \n! Reaction Label R341 \n RKI( NCELL, 341) = 4.0000D-12 * CFACT \n! Reaction Label R342 \n RKI( NCELL, 342) = 4.0000D-12 * CFACT \n! Reaction Label R343 \n RKI( NCELL, 343) = 1.2000D-12 * CFACT \n! Reaction Label R344 \n RKI( NCELL, 344) = 1.2000D-12 * CFACT \n! Reaction Label R345 \n RKI( NCELL, 345) = 1.2000D-12 * CFACT \n! Reaction Label R346 \n RKI( NCELL, 346) = 1.2000D-12 * CFACT \n! Reaction Label R347 \n RKI( NCELL, 347) = 1.2000D-12 * CFACT \n! Reaction Label R348 \n RKI( NCELL, 348) = 2.5000D-12 * CFACT \n! Reaction Label R349 \n RKI( NCELL, 349) = 2.5000D-12 * CFACT \n! Reaction Label R350 \n RKI( NCELL, 350) = 2.5000D-12 * CFACT \n! Reaction Label R351 \n RKI( NCELL, 351) = 2.5000D-12 * CFACT \n! Reaction Label R352 \n RKI( NCELL, 352) = 1.2000D-12 * CFACT \n! Reaction Label R353 \n RKI( NCELL, 353) = 1.2000D-12 * CFACT \n! Reaction Label R354 \n RKI( NCELL, 354) = 1.2000D-12 * CFACT \n! Reaction Label R355 \n RKI( NCELL, 355) = 1.2000D-12 * CFACT \n! Reaction Label R356 \n RKI( NCELL, 356) = 1.2000D-12 * CFACT \n! Reaction Label R357 \n RKI( NCELL, 357) = 1.2000D-12 * CFACT \n! Reaction Label R358 \n RKI( NCELL, 358) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.0000D-14, 1.0000D+03 )\n! Reaction Label R359 \n RKI( NCELL, 359) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.2500D-14, 1.0000D+03 )\n! Reaction Label R360 \n RKI( NCELL, 360) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9600D-14, 1.0000D+03 )\n! Reaction Label R361 \n RKI( NCELL, 361) = 1.2000D-12 * CFACT \n! Reaction Label R362 \n RKI( NCELL, 362) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.5000D-12, 5.0000D+02 )\n! Reaction Label R363 \n RKI( NCELL, 363) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.1300D-17, 2.9500D+03 )\n! Reaction Label SA01 \n RKI( NCELL, 364) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label SA02 \n RKI( NCELL, 365) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.9000D-13, 1.3000D+03 )\n! Reaction Label SA03 \n RKI( NCELL, 366) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label SA04 \n RKI( NCELL, 367) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.9000D-13, 1.3000D+03 )\n! Reaction Label SA05 \n RKI( NCELL, 368) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label SA06 \n RKI( NCELL, 369) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.9000D-13, 1.3000D+03 )\n! Reaction Label SA07 \n RKI( NCELL, 370) = 1.1600D-14 * CFACT \n! Reaction Label SA08 \n RKI( NCELL, 371) = 1.9700D-10 * CFACT \n! Reaction Label SA09 \n RKI( NCELL, 372) = 1.9000D-11 * CFACT \n! Reaction Label SA10 \n RKI( NCELL, 373) = 2.3100D-11 * CFACT \n! Reaction Label SA11 \n RKI( NCELL, 374) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.6000D+02 )\n! Reaction Label SA12 \n RKI( NCELL, 375) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.9000D-13, 1.3000D+03 )\n! Reaction Label SA13 \n RKI( NCELL, 376) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.7400D+02 )\n! Reaction Label SA14 \n RKI( NCELL, 377) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.7800D-11, -4.0000D+02 )\n! Reaction Label HET_N2O5 \n RKI( NCELL, 378) = BLKHET( NCELL, IK_HETERO_N2O5IJ )\n! Reaction Label HET_N02 \n RKI( NCELL, 379) = BLKHET( NCELL, IK_HETERO_NO2 )\n! Reaction Label HET_IEPOX \n RKI( NCELL, 381) = BLKHET( NCELL, IK_HETERO_IEPOX )\n! Reaction Label OLIG_XYLENE1 \n RKI( NCELL, 382) = 9.4882D-06 * SFACT \n! Reaction Label OLIG_XYLENE2 \n RKI( NCELL, 383) = 9.4882D-06 * SFACT \n! Reaction Label OLIG_TOLUENE1 \n RKI( NCELL, 384) = 9.4882D-06 * SFACT \n! Reaction Label OLIG_TOLUENE2 \n RKI( NCELL, 385) = 9.4882D-06 * SFACT \n! Reaction Label OLIG_BENZENE1 \n RKI( NCELL, 386) = 9.4882D-06 * SFACT \n! Reaction Label OLIG_BENZENE2 \n RKI( NCELL, 387) = 9.4882D-06 * SFACT \n! Reaction Label OLIG_TERPENE1 \n RKI( NCELL, 388) = 9.4882D-06 * SFACT \n! Reaction Label OLIG_TERPENE2 \n RKI( NCELL, 389) = 9.4882D-06 * SFACT \n! Reaction Label OLIG_ISOPRENE1 \n RKI( NCELL, 390) = 9.4882D-06 * SFACT \n! Reaction Label OLIG_ISOPRENE2 \n RKI( NCELL, 391) = 9.4882D-06 * SFACT \n! Reaction Label OLIG_SESQT1 \n RKI( NCELL, 392) = 9.4882D-06 * SFACT \n! Reaction Label OLIG_PAH1 \n RKI( NCELL, 393) = 9.4882D-06 * SFACT \n! Reaction Label OLIG_PAH2 \n RKI( NCELL, 394) = 9.4882D-06 * SFACT \n! Reaction Label OLIG_ALK1 \n RKI( NCELL, 395) = 9.4882D-06 * SFACT \n! Reaction Label OLIG_ALK2 \n RKI( NCELL, 396) = 9.4882D-06 * SFACT \n! Reaction Label RPOAGEPI \n RKI( NCELL, 397) = 2.5000D-12 * CFACT \n! Reaction Label RPOAGELI \n RKI( NCELL, 398) = BLKHET( NCELL, IK_HETERO_PNCOMLI )\n! Reaction Label RPOAGEPJ \n RKI( NCELL, 399) = 2.5000D-12 * CFACT \n! Reaction Label RPOAGELJ \n RKI( NCELL, 400) = BLKHET( NCELL, IK_HETERO_PNCOMLJ )\n! Reaction Label PCSOA \n RKI( NCELL, 401) = 1.2500D-11 * CFACT \n! Reaction Label POA_AGE1 \n RKI( NCELL, 402) = 4.0000D-11 * CFACT \n! Reaction Label POA_AGE2 \n RKI( NCELL, 403) = 4.0000D-11 * CFACT \n! Reaction Label POA_AGE3 \n RKI( NCELL, 404) = 4.0000D-11 * CFACT \n! Reaction Label POA_AGE4 \n RKI( NCELL, 405) = 4.0000D-11 * CFACT \n! Reaction Label POA_AGE5 \n RKI( NCELL, 406) = 4.0000D-11 * CFACT \n! Reaction Label POA_AGE6 \n RKI( NCELL, 407) = 4.0000D-11 * CFACT \n! Reaction Label POA_AGE7 \n RKI( NCELL, 408) = 4.0000D-11 * CFACT \n! Reaction Label POA_AGE8 \n RKI( NCELL, 409) = 4.0000D-11 * CFACT \n! Reaction Label POA_AGE9 \n RKI( NCELL, 410) = 4.0000D-11 * CFACT \n! Reaction Label POA_AGE10 \n RKI( NCELL, 411) = 4.0000D-11 * CFACT \n\n END DO \n! Multiply rate constants by [M], [O2], [N2], [H2O], [H2], or [CH4]\n! where needed and return\n IF ( NWM .GT. 0 ) THEN\n DO NRT = 1, NWM\n IRXN = NRXWM( NRT )\n DO NCELL = 1, NUMCELLS\n RKI( NCELL,IRXN ) = RKI( NCELL,IRXN ) * ATM_AIR\n END DO\n END DO\n END IF\n IF ( NWO2 .GT. 0 ) THEN\n DO NRT = 1, NWO2\n IRXN = NRXWO2( NRT )\n DO NCELL = 1, NUMCELLS\n RKI( NCELL,IRXN ) = RKI( NCELL,IRXN ) * ATM_O2\n END DO\n END DO\n END IF\n IF ( NWN2 .GT. 0 ) THEN\n DO NRT = 1, NWN2\n IRXN = NRXWN2( NRT )\n DO NCELL = 1, NUMCELLS\n RKI( NCELL,IRXN ) = RKI( NCELL,IRXN ) * ATM_N2\n END DO\n END DO\n END IF\n IF ( NWW .GT. 0 ) THEN\n DO NRT = 1, NWW\n IRXN = NRXWW( NRT )\n DO NCELL = 1, NUMCELLS\n RKI( NCELL,IRXN ) = RKI( NCELL,IRXN ) * BLKH2O( NCELL )\n END DO\n END DO\n END IF\n IF ( NWH2 .GT. 0 ) THEN\n DO NRT = 1, NWH2\n IRXN = NRXWH2( NRT )\n DO NCELL = 1, NUMCELLS\n RKI( NCELL,IRXN ) = RKI( NCELL,IRXN ) * ATM_H2\n END DO\n END DO\n END IF\n IF ( NWCH4 .GT. 0 ) THEN\n DO NRT = 1, NWCH4\n IRXN = NRXWCH4( NRT )\n DO NCELL = 1, NUMCELLS\n RKI( NCELL,IRXN ) = RKI( NCELL,IRXN ) * ATM_CH4\n END DO\n END DO\n END IF\n RETURN\n END SUBROUTINE CALC_RCONST\n FUNCTION MAP_CHEMISTRY_SPECIES() RESULT ( SUCCESS )\n\n! Purpose find or test the CGRID Index, Species Type, and Conversion Factor\n! for the Mechanism against the CMAQ namelists\n\n USE UTILIO_DEFN\n USE CGRID_SPCS\n USE RXNS_DATA\n\n IMPLICIT NONE\n\n!Parameters:\n CHARACTER( 1 ), PARAMETER :: BL = ' '\n INTEGER, PARAMETER :: SPC_DIM = 200\n!Local:\n\n LOGICAL SUCCESS\n INTEGER I, IOS, J\n INTEGER I1, I2, I3, I4 ! SURROGATE TYPE 1 COUNTERS\n INTEGER J1, J2 ! SURROGATE TYPE 2 COUNTERS\n INTEGER K1, K2, K3, K4, K5 ! CONTROL TYPE COUNTERS\n INTEGER ICALL\n\n LOGICAL :: ORDER = .TRUE.\n LOGICAL :: FOUND = .TRUE.\n\n CHARACTER( 120 ) :: XMSG\n\n CHARACTER( 16 ), ALLOCATABLE :: CGRID_SPC ( : )\n CHARACTER( 16 ), ALLOCATABLE :: NML_SPC ( : )\n CHARACTER( 2 ), ALLOCATABLE :: NML_TYPE ( : )\n INTEGER, ALLOCATABLE :: NML_INDEX ( : )\n LOGICAL, ALLOCATABLE :: NML_CONVERT( : )\n REAL, ALLOCATABLE :: NML_MOLWT ( : )\n REAL :: DELTA ! fractional difference\n\n LOGICAL, SAVE :: INITIALIZED = .FALSE.\n\n IF( INITIALIZED )RETURN\n\n INITIALIZED = .TRUE.\n SUCCESS = .TRUE.\n\n\n ALLOCATE ( CGRID_SPC( NSPCSD - 1 ), &\n & NML_SPC ( NSPCSD - 1 ), &\n & NML_INDEX( NSPCSD - 1 ), &\n & NML_TYPE( NSPCSD - 1 ), &\n & NML_CONVERT( NSPCSD - 1 ), &\n & NML_MOLWT( NSPCSD - 1 ), &\n & STAT = IOS )\n\n\n J = 0\n\n\n NML_INDEX = -1\n TYPE_INDEX = -1\n NML_TYPE = '??'\n NML_CONVERT = .FALSE.\n\n DO I = 1, N_GC_SPC ! load gc names and indices\n J = J + 1\n CGRID_SPC( I ) = GC_SPC( I )\n NML_INDEX( J ) = I + GC_STRT -1\n NML_TYPE( J ) = 'GC'\n NML_MOLWT( J ) = GC_MOLWT( I )\n END DO\n\n DO I = 1, N_AE_SPC ! load ae names and indices\n J = J + 1\n CGRID_SPC( J ) = AE_SPC( I )\n NML_INDEX( J ) = I + AE_STRT - 1\n NML_TYPE( J ) = 'AE'\n NML_CONVERT( J ) = .TRUE.\n NML_MOLWT( J ) = AE_MOLWT( I )\n END DO\n\n DO I = 1, N_NR_SPC ! load nr names and indices\n J = J + 1\n CGRID_SPC( J ) = NR_SPC( I )\n NML_INDEX( J ) = I + NR_STRT - 1\n NML_TYPE( J ) = 'NR'\n NML_MOLWT( J ) = NR_MOLWT( I )\n END DO\n\n DO I = 1, N_TR_SPC ! load tr names and indices\n J = J + 1\n CGRID_SPC( J ) = TR_SPC( I )\n NML_INDEX( J ) = I + TR_STRT - 1\n NML_TYPE( J ) = 'TR'\n NML_MOLWT( J ) = TR_MOLWT( I )\n END DO\n\n NML_SPC( 1:(NSPCSD-1) ) = CGRID_SPC( 1:(NSPCSD-1) )\n\n\n! determine if mechanism species are in cgrid species\n\n DO I = 1, NUMB_MECH_SPC\n! set species informations arrays using SPECIES_LIST array before mapping\n CHEMISTRY_SPC( I ) = SPECIES_LIST( I )%CHEMISTRY_SPC\n CGRID_INDEX ( I ) = SPECIES_LIST( I )%CGRID_INDEX\n SPECIES_TYPE ( I ) = SPECIES_LIST( I )%SPECIES_TYPE\n CONVERT_CONC ( I ) = SPECIES_LIST( I )%CONVERT_CONC\n SPECIES_MOLWT( I ) = SPECIES_LIST( I )%SPECIES_MOLWT\n\n I1 = INDEX1R( CHEMISTRY_SPC( I ), (NSPCSD-1), CGRID_SPC )\n IF ( I1 .LT. 1 ) THEN\n FOUND = .FALSE.\n ELSE\n FOUND = .TRUE.\n IF( .NOT. MAPPED_TO_CGRID )THEN\n CGRID_INDEX( I ) = NML_INDEX( I1 )\n SPECIES_TYPE( I ) = NML_TYPE ( I1 )\n SPECIES_MOLWT( I ) = NML_MOLWT( I1 )\n CONVERT_CONC( I ) = NML_CONVERT( I1 )\n ELSE\n IF(CGRID_INDEX( I ) .NE. NML_INDEX( I1 ))THEN\n SUCCESS = .FALSE.\n XMSG = '*** For Species ' // TRIM( CHEMISTRY_SPC( I ) ) &\n & // ' cgrid index does not match mechanism value.'\n WRITE( LOGDEV,'( /5X, A )' ) TRIM( XMSG )\n WRITE( XMSG,'(A,I3,1X,I3)')'CGRID Indices: Mechanism and NML Values are ', &\n & CGRID_INDEX( I ),NML_INDEX( I1 )\n WRITE( LOGDEV,'( 5X, A )' )XMSG\n END IF\n IF(CONVERT_CONC( I ) .NEQV. NML_CONVERT( I1 ))THEN\n SUCCESS = .FALSE.\n XMSG = '*** For Species ' // TRIM( CHEMISTRY_SPC( I ) ) &\n & // ' species unit conversion flag does not match mechanism value.'\n WRITE( LOGDEV,'( /5X, A )' ) TRIM( XMSG )\n WRITE( XMSG,'(A,1X,L21X,L2)')'CONVERSION FLAGS: Mechanism and NML Values are ', &\n & CONVERT_CONC( I ),NML_CONVERT( I1 )\n WRITE( LOGDEV,'( 5X, A )' )XMSG\n WRITE( XMSG,'(A,1X,A3,1X,A3)')'SPECIES TYPE: Mechanism and NML Values are ', &\n & SPECIES_TYPE( I ),NML_TYPE( I1 )\n WRITE( LOGDEV,'( 5X, A )' )XMSG\n END IF\n DELTA = ( SPECIES_MOLWT( I ) - NML_MOLWT( I1 ) )/MAX(NML_MOLWT( I1 ),1.0E-20)\n IF( ABS( DELTA ) .GE. 0.05 )THEN\n IF( CONVERT_CONC( I ) )SUCCESS = .FALSE.\n XMSG = '*** For Species ' // TRIM( CHEMISTRY_SPC( I ) ) &\n & // ' species molecular weight does not match mechanism value.'\n WRITE( LOGDEV,'( /5X, A )' ) TRIM( XMSG )\n WRITE( XMSG,'(A,2(ES12.4,1X))')'Molecular Weight: Mechanism and NML Values are ', &\n & SPECIES_MOLWT( I ), NML_MOLWT( I1 )\n WRITE( LOGDEV,'( 5X, A )' )XMSG\n END IF\n END IF\n END IF\n IF( INDEX( CHEMISTRY_SPC( I ), 'SRF') .GT. 0 )THEN\n SUCCESS = .FALSE.\n XMSG = '*** reactions cannot use modal aerosol surface area as species'\n WRITE( LOGDEV,'( /5X, A )' ) TRIM( XMSG )\n XMSG = TRIM( CHEMISTRY_SPC( I ) )\n WRITE( LOGDEV,'( 2X, A )' ) TRIM( XMSG )\n END IF\n IF( INDEX( CHEMISTRY_SPC( I ), 'NUM') .GT. 0 )THEN\n SUCCESS = .FALSE.\n XMSG = '*** reactions cannot use modal aerosol number density as species'\n WRITE( LOGDEV,'( /5X, A )' ) TRIM( XMSG )\n XMSG = TRIM( CHEMISTRY_SPC( I ) )\n WRITE( LOGDEV,'( 2X, A )' ) TRIM( XMSG )\n END IF\n IF ( .NOT. FOUND ) THEN\n XMSG = 'Fatal error: Mechanism Species found not in species namelist:'\n WRITE( LOGDEV,'( /5X, A )', ADVANCE = 'NO' ) TRIM( XMSG )\n XMSG = TRIM( CHEMISTRY_SPC( I ) )\n WRITE( LOGDEV,'( 2X, A )' ) TRIM( XMSG )\n SUCCESS = .FALSE.\n END IF\n END DO\n\n IF( SUCCESS )RETURN\n\n WRITE(LOGDEV,99901)TRIM( MECHNAME )\n XMSG = 'The FATAL errors found in namelist used. Check ' &\n & // 'the log of exiting processor if more details are needed.'\n CALL M3WARN('MAP_CHEMISTRY_SPECIES',0,0,XMSG)\n\n\n99901 FORMAT( / 'FATAL error(s) found in the namelists used. Check that ' &\n & / 'these namelists contain the above data as the respective files ' &\n & / 'in the respository version of the mechanism: ' , A )\n\n RETURN\n\n END FUNCTION MAP_CHEMISTRY_SPECIES\n!----------------------------------------------------------------------------------------\n INTEGER FUNCTION INDEX1R ( NAME, N, NLIST )\n IMPLICIT NONE\n CHARACTER( * ) NAME ! character string being searched for\n INTEGER N ! length of array to be searched\n CHARACTER( * ) NLIST( : ) ! array to be searched\n\n INTEGER I\n\n DO I = 1, N\n IF ( NAME .EQ. NLIST( I ) ) THEN\n INDEX1R = I\n RETURN\n END IF\n END DO\n INDEX1R = 0\n RETURN\n\n END FUNCTION INDEX1R\n SUBROUTINE RESET_SPECIES_POINTERS( IOLD2NEW )\n\n USE RXNS_DATA\n IMPLICIT NONE\n INTEGER, INTENT( IN ) :: IOLD2NEW( :,: ) \n\n\n INDEX_O3 = IOLD2NEW( INDEX_O3 , 1 )\n INDEX_O3P = IOLD2NEW( INDEX_O3P , 1 )\n INDEX_O1D = IOLD2NEW( INDEX_O1D , 1 )\n INDEX_H2O2 = IOLD2NEW( INDEX_H2O2 , 1 )\n INDEX_HO = IOLD2NEW( INDEX_HO , 1 )\n INDEX_NO2 = IOLD2NEW( INDEX_NO2 , 1 )\n INDEX_NO = IOLD2NEW( INDEX_NO , 1 )\n INDEX_NO3 = IOLD2NEW( INDEX_NO3 , 1 )\n INDEX_HONO = IOLD2NEW( INDEX_HONO , 1 )\n INDEX_HNO3 = IOLD2NEW( INDEX_HNO3 , 1 )\n INDEX_HNO4 = IOLD2NEW( INDEX_HNO4 , 1 )\n INDEX_HO2 = IOLD2NEW( INDEX_HO2 , 1 )\n INDEX_HCHO = IOLD2NEW( INDEX_HCHO , 1 )\n INDEX_CO = IOLD2NEW( INDEX_CO , 1 )\n INDEX_ACD = IOLD2NEW( INDEX_ACD , 1 )\n INDEX_MO2 = IOLD2NEW( INDEX_MO2 , 1 )\n INDEX_ALD = IOLD2NEW( INDEX_ALD , 1 )\n INDEX_ETHP = IOLD2NEW( INDEX_ETHP , 1 )\n INDEX_ACT = IOLD2NEW( INDEX_ACT , 1 )\n INDEX_ACO3 = IOLD2NEW( INDEX_ACO3 , 1 )\n INDEX_UALD = IOLD2NEW( INDEX_UALD , 1 )\n INDEX_KET = IOLD2NEW( INDEX_KET , 1 )\n INDEX_MEK = IOLD2NEW( INDEX_MEK , 1 )\n INDEX_HKET = IOLD2NEW( INDEX_HKET , 1 )\n INDEX_MACR = IOLD2NEW( INDEX_MACR , 1 )\n INDEX_MACP = IOLD2NEW( INDEX_MACP , 1 )\n INDEX_XO2 = IOLD2NEW( INDEX_XO2 , 1 )\n INDEX_MVK = IOLD2NEW( INDEX_MVK , 1 )\n INDEX_GLY = IOLD2NEW( INDEX_GLY , 1 )\n INDEX_MGLY = IOLD2NEW( INDEX_MGLY , 1 )\n INDEX_DCB1 = IOLD2NEW( INDEX_DCB1 , 1 )\n INDEX_DCB2 = IOLD2NEW( INDEX_DCB2 , 1 )\n INDEX_BALD = IOLD2NEW( INDEX_BALD , 1 )\n INDEX_CHO = IOLD2NEW( INDEX_CHO , 1 )\n INDEX_OP1 = IOLD2NEW( INDEX_OP1 , 1 )\n INDEX_OP2 = IOLD2NEW( INDEX_OP2 , 1 )\n INDEX_PAA = IOLD2NEW( INDEX_PAA , 1 )\n INDEX_ONIT = IOLD2NEW( INDEX_ONIT , 1 )\n INDEX_PAN = IOLD2NEW( INDEX_PAN , 1 )\n INDEX_N2O5 = IOLD2NEW( INDEX_N2O5 , 1 )\n INDEX_SO2 = IOLD2NEW( INDEX_SO2 , 1 )\n INDEX_SULF = IOLD2NEW( INDEX_SULF , 1 )\n INDEX_SULRXN = IOLD2NEW( INDEX_SULRXN , 1 )\n INDEX_ETH = IOLD2NEW( INDEX_ETH , 1 )\n INDEX_HC3 = IOLD2NEW( INDEX_HC3 , 1 )\n INDEX_HC3P = IOLD2NEW( INDEX_HC3P , 1 )\n INDEX_HC5 = IOLD2NEW( INDEX_HC5 , 1 )\n INDEX_HC5P = IOLD2NEW( INDEX_HC5P , 1 )\n INDEX_HC8 = IOLD2NEW( INDEX_HC8 , 1 )\n INDEX_HC8P = IOLD2NEW( INDEX_HC8P , 1 )\n INDEX_ETE = IOLD2NEW( INDEX_ETE , 1 )\n INDEX_ETEP = IOLD2NEW( INDEX_ETEP , 1 )\n INDEX_OLT = IOLD2NEW( INDEX_OLT , 1 )\n INDEX_OLTP = IOLD2NEW( INDEX_OLTP , 1 )\n INDEX_OLI = IOLD2NEW( INDEX_OLI , 1 )\n INDEX_OLIP = IOLD2NEW( INDEX_OLIP , 1 )\n INDEX_DIEN = IOLD2NEW( INDEX_DIEN , 1 )\n INDEX_ACE = IOLD2NEW( INDEX_ACE , 1 )\n INDEX_ORA1 = IOLD2NEW( INDEX_ORA1 , 1 )\n INDEX_BENZENE = IOLD2NEW( INDEX_BENZENE , 1 )\n INDEX_BENP = IOLD2NEW( INDEX_BENP , 1 )\n INDEX_EPX = IOLD2NEW( INDEX_EPX , 1 )\n INDEX_PHEN = IOLD2NEW( INDEX_PHEN , 1 )\n INDEX_BENZRO2 = IOLD2NEW( INDEX_BENZRO2 , 1 )\n INDEX_TOL = IOLD2NEW( INDEX_TOL , 1 )\n INDEX_TR2 = IOLD2NEW( INDEX_TR2 , 1 )\n INDEX_TLP1 = IOLD2NEW( INDEX_TLP1 , 1 )\n INDEX_CSL = IOLD2NEW( INDEX_CSL , 1 )\n INDEX_TOLRO2 = IOLD2NEW( INDEX_TOLRO2 , 1 )\n INDEX_XYM = IOLD2NEW( INDEX_XYM , 1 )\n INDEX_XY2 = IOLD2NEW( INDEX_XY2 , 1 )\n INDEX_XYL1 = IOLD2NEW( INDEX_XYL1 , 1 )\n INDEX_XYLRO2 = IOLD2NEW( INDEX_XYLRO2 , 1 )\n INDEX_XYP = IOLD2NEW( INDEX_XYP , 1 )\n INDEX_XYO = IOLD2NEW( INDEX_XYO , 1 )\n INDEX_XYO2 = IOLD2NEW( INDEX_XYO2 , 1 )\n INDEX_ISO = IOLD2NEW( INDEX_ISO , 1 )\n INDEX_ISOP = IOLD2NEW( INDEX_ISOP , 1 )\n INDEX_ISOPRXN = IOLD2NEW( INDEX_ISOPRXN , 1 )\n INDEX_API = IOLD2NEW( INDEX_API , 1 )\n INDEX_APIP = IOLD2NEW( INDEX_APIP , 1 )\n INDEX_TRPRXN = IOLD2NEW( INDEX_TRPRXN , 1 )\n INDEX_LIM = IOLD2NEW( INDEX_LIM , 1 )\n INDEX_LIMP = IOLD2NEW( INDEX_LIMP , 1 )\n INDEX_RCO3 = IOLD2NEW( INDEX_RCO3 , 1 )\n INDEX_ACTP = IOLD2NEW( INDEX_ACTP , 1 )\n INDEX_MEKP = IOLD2NEW( INDEX_MEKP , 1 )\n INDEX_KETP = IOLD2NEW( INDEX_KETP , 1 )\n INDEX_MCP = IOLD2NEW( INDEX_MCP , 1 )\n INDEX_MVKP = IOLD2NEW( INDEX_MVKP , 1 )\n INDEX_UALP = IOLD2NEW( INDEX_UALP , 1 )\n INDEX_DCB3 = IOLD2NEW( INDEX_DCB3 , 1 )\n INDEX_BALP = IOLD2NEW( INDEX_BALP , 1 )\n INDEX_ADDC = IOLD2NEW( INDEX_ADDC , 1 )\n INDEX_MCT = IOLD2NEW( INDEX_MCT , 1 )\n INDEX_MCTO = IOLD2NEW( INDEX_MCTO , 1 )\n INDEX_MOH = IOLD2NEW( INDEX_MOH , 1 )\n INDEX_EOH = IOLD2NEW( INDEX_EOH , 1 )\n INDEX_ROH = IOLD2NEW( INDEX_ROH , 1 )\n INDEX_ETEG = IOLD2NEW( INDEX_ETEG , 1 )\n INDEX_ISHP = IOLD2NEW( INDEX_ISHP , 1 )\n INDEX_IEPOX = IOLD2NEW( INDEX_IEPOX , 1 )\n INDEX_MAHP = IOLD2NEW( INDEX_MAHP , 1 )\n INDEX_ORA2 = IOLD2NEW( INDEX_ORA2 , 1 )\n INDEX_ORAP = IOLD2NEW( INDEX_ORAP , 1 )\n INDEX_PPN = IOLD2NEW( INDEX_PPN , 1 )\n INDEX_MPAN = IOLD2NEW( INDEX_MPAN , 1 )\n INDEX_NALD = IOLD2NEW( INDEX_NALD , 1 )\n INDEX_ISON = IOLD2NEW( INDEX_ISON , 1 )\n INDEX_MCTP = IOLD2NEW( INDEX_MCTP , 1 )\n INDEX_OLNN = IOLD2NEW( INDEX_OLNN , 1 )\n INDEX_OLND = IOLD2NEW( INDEX_OLND , 1 )\n INDEX_ADCN = IOLD2NEW( INDEX_ADCN , 1 )\n INDEX_TOLP = IOLD2NEW( INDEX_TOLP , 1 )\n INDEX_PER1 = IOLD2NEW( INDEX_PER1 , 1 )\n INDEX_XYLP = IOLD2NEW( INDEX_XYLP , 1 )\n INDEX_PER2 = IOLD2NEW( INDEX_PER2 , 1 )\n INDEX_XYOP = IOLD2NEW( INDEX_XYOP , 1 )\n INDEX_BAL1 = IOLD2NEW( INDEX_BAL1 , 1 )\n INDEX_BAL2 = IOLD2NEW( INDEX_BAL2 , 1 )\n INDEX_TOLNRXN = IOLD2NEW( INDEX_TOLNRXN , 1 )\n INDEX_TOLHRXN = IOLD2NEW( INDEX_TOLHRXN , 1 )\n INDEX_XYLNRXN = IOLD2NEW( INDEX_XYLNRXN , 1 )\n INDEX_XYLHRXN = IOLD2NEW( INDEX_XYLHRXN , 1 )\n INDEX_BNZNRXN = IOLD2NEW( INDEX_BNZNRXN , 1 )\n INDEX_BNZHRXN = IOLD2NEW( INDEX_BNZHRXN , 1 )\n INDEX_SESQ = IOLD2NEW( INDEX_SESQ , 1 )\n INDEX_SESQRXN = IOLD2NEW( INDEX_SESQRXN , 1 )\n INDEX_NAPH = IOLD2NEW( INDEX_NAPH , 1 )\n INDEX_PAHRO2 = IOLD2NEW( INDEX_PAHRO2 , 1 )\n INDEX_PAHNRXN = IOLD2NEW( INDEX_PAHNRXN , 1 )\n INDEX_PAHHRXN = IOLD2NEW( INDEX_PAHHRXN , 1 )\n INDEX_SOAALK = IOLD2NEW( INDEX_SOAALK , 1 )\n INDEX_ALKRXN = IOLD2NEW( INDEX_ALKRXN , 1 )\n INDEX_AISO3J = IOLD2NEW( INDEX_AISO3J , 1 )\n INDEX_AXYL1J = IOLD2NEW( INDEX_AXYL1J , 1 )\n INDEX_AOLGAJ = IOLD2NEW( INDEX_AOLGAJ , 1 )\n INDEX_AXYL2J = IOLD2NEW( INDEX_AXYL2J , 1 )\n INDEX_ATOL1J = IOLD2NEW( INDEX_ATOL1J , 1 )\n INDEX_ATOL2J = IOLD2NEW( INDEX_ATOL2J , 1 )\n INDEX_ABNZ1J = IOLD2NEW( INDEX_ABNZ1J , 1 )\n INDEX_ABNZ2J = IOLD2NEW( INDEX_ABNZ2J , 1 )\n INDEX_ATRP1J = IOLD2NEW( INDEX_ATRP1J , 1 )\n INDEX_AOLGBJ = IOLD2NEW( INDEX_AOLGBJ , 1 )\n INDEX_ATRP2J = IOLD2NEW( INDEX_ATRP2J , 1 )\n INDEX_AISO1J = IOLD2NEW( INDEX_AISO1J , 1 )\n INDEX_AISO2J = IOLD2NEW( INDEX_AISO2J , 1 )\n INDEX_ASQTJ = IOLD2NEW( INDEX_ASQTJ , 1 )\n INDEX_APAH1J = IOLD2NEW( INDEX_APAH1J , 1 )\n INDEX_APAH2J = IOLD2NEW( INDEX_APAH2J , 1 )\n INDEX_AALK1J = IOLD2NEW( INDEX_AALK1J , 1 )\n INDEX_AALK2J = IOLD2NEW( INDEX_AALK2J , 1 )\n INDEX_APOCI = IOLD2NEW( INDEX_APOCI , 1 )\n INDEX_APNCOMI = IOLD2NEW( INDEX_APNCOMI , 1 )\n INDEX_APOCJ = IOLD2NEW( INDEX_APOCJ , 1 )\n INDEX_APNCOMJ = IOLD2NEW( INDEX_APNCOMJ , 1 )\n INDEX_PCVOC = IOLD2NEW( INDEX_PCVOC , 1 )\n INDEX_PCSOARXN = IOLD2NEW( INDEX_PCSOARXN, 1 )\n INDEX_VLVPO1 = IOLD2NEW( INDEX_VLVPO1 , 1 )\n INDEX_VSVPO1 = IOLD2NEW( INDEX_VSVPO1 , 1 )\n INDEX_VSVPO2 = IOLD2NEW( INDEX_VSVPO2 , 1 )\n INDEX_VSVPO3 = IOLD2NEW( INDEX_VSVPO3 , 1 )\n INDEX_VIVPO1 = IOLD2NEW( INDEX_VIVPO1 , 1 )\n INDEX_VLVOO1 = IOLD2NEW( INDEX_VLVOO1 , 1 )\n INDEX_VLVOO2 = IOLD2NEW( INDEX_VLVOO2 , 1 )\n INDEX_VSVOO2 = IOLD2NEW( INDEX_VSVOO2 , 1 )\n INDEX_VSVOO3 = IOLD2NEW( INDEX_VSVOO3 , 1 )\n INDEX_VSVOO1 = IOLD2NEW( INDEX_VSVOO1 , 1 )\n END SUBROUTINE RESET_SPECIES_POINTERS\n END MODULE RXNS_FUNCTION\n" }, { "path": "CCTM/src/MECHS/racm2_ae6_aq/SpecDef_Dep_racm2_ae6_aq.txt", "content": "!#start YYYYJJJ\n!#end YYYYJJJ\n#layer 1\n\n/ File [1]: DRYDEP\n/ File [2]: WETDEP\n/ File [3]: METCRO2D\n/\n/new species ,units ,expression\n\nRT ,cm ,RC[3]>=0 ? RN[3]+RC[3] : RN[3]\n\n!---------------------------------------------------!\n!--------------- Gas Deposition --------------------!\n!---------------------------------------------------!\nDDEP_NO2 ,kg ha-1 ,NO2[1]\nWDEP_NO2 ,kg ha-1 ,NO2[2]\nDDEP_NO ,kg ha-1 ,NO[1]\nWDEP_NO ,kg ha-1 ,NO[2]\nDDEP_NO3 ,kg ha-1 ,NO3[1]\nWDEP_NO3 ,kg ha-1 ,NO3[2]\nDDEP_FORM ,kg ha-1 ,HCHO[1] ! formaldehyde is HCHO RACM2\nWDEP_FORM ,kg ha-1 ,HCHO[2] ! formaldehyde is HCHO RACM2\nDDEP_H2O2 ,kg ha-1 ,H2O2[1]\nWDEP_H2O2 ,kg ha-1 ,H2O2[2]\nDDEP_N2O5 ,kg ha-1 ,N2O5[1]\nWDEP_N2O5 ,kg ha-1 ,N2O5[2]\nDDEP_HONO ,kg ha-1 ,HONO[1]\nWDEP_HONO ,kg ha-1 ,HONO[2]\nDDEP_HNO3 ,kg ha-1 ,HNO3[1]\nWDEP_HNO3 ,kg ha-1 ,HNO3[2]\nDDEP_NTR ,kg ha-1 ,ONIT[1]+ISON[1]+NALD[1]\nWDEP_NTR ,kg ha-1 ,ONIT[2]+ISON[2]+NALD[2]\nDDEP_PANT ,kg ha-1 ,PAN[1]+PPN[1]+MPAN[1]\nWDEP_PANT ,kg ha-1 ,PAN[2]+PPN[2]+MPAN[2]\nDDEP_NH3 ,kg ha-1 ,NH3[1]\nWDEP_NH3 ,kg ha-1 ,NH3[2]\nDDEP_SO2 ,kg ha-1 ,SO2[1]\nDDEP_O3 ,kg ha-1 ,O3[1]\nWDEP_O3 ,kg ha-1 ,O3[2]\nWDEP_PNA ,kg ha-1 ,PNA[2] ! Peroxy-Nitric Acid\n\n!---------------------------------------------------!\n!------------- Aerosol Deposition ------------------!\n!---------------------------------------------------!\nDDEP_ANO3IJ ,kg ha-1 ,ANO3I[1] + ANO3J[1]\nDDEP_ANO3K ,kg ha-1 ,ANO3K[1]\nWDEP_ANO3IJK ,kg ha-1 ,ANO3I[2] + ANO3J[2] + ANO3K[2]\nDDEP_TNO3 ,kg ha-1 ,ANO3I[1] + ANO3J[1] + ANO3K[1] + 0.984*HNO3[1] + NO3[1]\nWDEP_TNO3 ,kg ha-1 ,ANO3I[2] + ANO3J[2] + ANO3K[2] + 0.984*HNO3[2] + NO3[2]\nDDEP_ANH4IJ ,kg ha-1 ,ANH4I[1] + ANH4J[1]\nDDEP_ANH4K ,kg ha-1 ,ANH4K[1]\nWDEP_ANH4IJK ,kg ha-1 ,ANH4I[2] + ANH4J[2] + ANH4K[2]\nDDEP_ASO4IJ ,kg ha-1 ,ASO4I[1] + ASO4J[1]\nDDEP_ASO4K ,kg ha-1 ,ASO4K[1]\nWDEP_ASO4IJK ,kg ha-1 ,ASO4I[2] + ASO4J[2] + ASO4K[2]\nDDEP_AECIJ\t ,kg ha-1 ,AECI[1] +AECJ[1]\nDDEP_AOCIJ ,kgC ha-1 ,ALVPO1I[1]/1.39 + ASVPO1I[1]/1.32 + ASVPO2I[1]/1.26 \\\n +ALVPO1J[1]/1.39 + ASVPO1J[1]/1.32 + ASVPO2J[1]/1.26 \\\n +ASVPO3J[1]/1.21 + AIVPO1J[1]/1.17 \\\n +ALVOO1I[1]/2.27 + ALVOO2I[1]/2.06 \\\n +ASVOO1I[1]/1.88 + ASVOO2I[1]/1.73 \\\n +AXYL1J[1]/2.42 + AXYL2J[1]/1.93 + AXYL3J[1]/2.30 \\\n +ATOL1J[1]/2.26 + ATOL2J[1]/1.82 + ATOL3J[1]/2.70 \\\n +ABNZ1J[1]/2.68 + ABNZ2J[1]/2.23 + ABNZ3J[1]/3.00 \\\n +AISO1J[1]/2.20 + AISO2J[1]/2.23 + AISO3J[1]/2.80 \\\n +ATRP1J[1]/1.84 + ATRP2J[1]/1.83 + ASQTJ[1]/1.52 \\\n +AALK1J[1]/1.56 + AALK2J[1]/1.42 \\\n +AORGCJ[1]/2.00 + AOLGBJ[1]/2.10 + AOLGAJ[1]/2.50 \\\n +APAH1J[1]/1.63 + APAH2J[1]/1.49 + APAH3J[1]/1.77 \\\n +ALVOO1J[1]/2.27+ ALVOO2J[1]/2.06+ ASVOO1J[1]/1.88 \\\n +ASVOO2J[1]/1.73+ ASVOO3J[1]/1.60 \\\n +APCSOJ[1] /2.00 \n\n!DDEP_SSSO4J ,kg ha-1 ,0.2514*ANAJ[1]\n!DDEP_SSSO4K ,kg ha-1 ,0.2514*DDEP_ANAK[0]\n!WDEP_SSSO4JK ,kg ha-1 ,0.2514*ANAJ[2] + 0.2514*WDEP_ANAK[0]\n\n\n!-----------------------------------------------------!\n!-------- Total (Gas + Aerosol) Deposition -----------!\n!-----------------------------------------------------!\nDDEP_NHX ,kg ha-1 ,ANH4I[1] + ANH4J[1] + ANH4K[1] + 1.059*NH3[1]\nWDEP_NHX ,kg ha-1 ,ANH4I[2] + ANH4J[2] + ANH4K[2] + 1.059*NH3[2]\nWDEP_TSO4 ,kg ha-1 ,ASO4I[2] + ASO4J[2] + ASO4K[2] + 1.5*SO2[2]\n\n!! Sodium\nDDEP_ANAJ ,kg ha-1 ,ANAJ[1]\nDDEP_ANAK ,kg ha-1 ,0.8373*ASEACAT[1]+0.0626*ASOIL[1]+0.0023*ACORS[1]\nDDEP_ANAJK ,kg ha-1 ,DDEP_ANAJ[0] + DDEP_ANAK[0]\nWDEP_ANAK ,kg ha-1 ,0.8373*ASEACAT[2]+0.0626*ASOIL[2]+0.0023*ACORS[2]\nWDEP_ANAJK ,kg ha-1 ,ANAJ[2] + WDEP_ANAK[0]\nTDEP_ANAJK ,kg ha-1 ,DDEP_ANAJK[0] + WDEP_ANAJK[0]\n\n!! Chloride\nDDEP_ACLJ ,kg ha-1 ,ACLJ[1]\nDDEP_ACLK ,kg ha-1 ,ACLK[1]\nDDEP_ACLJK ,kg ha-1 ,ACLJ[1] + ACLK[1]\nWDEP_TCL ,kg ha-1 ,0.972*HCL[2]+0.435*CLNO2[2] + ACLJ[2] + ACLK[2]\nTDEP_CL ,kg ha-1 ,DDEP_ACLJK[0] + WDEP_TCL[0]\n\n!! Calcium\nDDEP_CAJ\t ,kg ha-1 ,ACAJ[1]\nWDEP_CAJ\t ,kg ha-1 ,ACAJ[2]\nDDEP_CAK ,kg ha-1 ,0.0320*ASEACAT[1]+0.0838*ASOIL[1]+0.0562*ACORS[1]\nWDEP_CAK ,kg ha-1 ,0.0320*ASEACAT[2]+0.0838*ASOIL[2]+0.0562*ACORS[2]\nDDEP_CAJK\t ,kg ha-1 ,ACAJ[1]+DDEP_CAK[0]\nWDEP_CAJK\t ,kg ha-1 ,ACAJ[2]+WDEP_CAK[0]\n\n!! Iron\nDDEP_FEJ\t ,kg ha-1 ,AFEJ[1]\nWDEP_FEJ\t ,kg ha-1 ,AFEJ[2]\n\n!! Aluminum\nDDEP_ALJ\t ,kg ha-1 ,AALJ[1]\nWDEP_ALJ ,kg ha-1 ,AALJ[2]\n\n!! Silicon\nDDEP_SIJ ,kg ha-1 ,ASIJ[1]\nWDEP_SIJ ,kg ha-1 ,ASIJ[2]\n\n!! Titanium\nDDEP_TIJ ,kg ha-1 ,ATIJ[1]\nWDEP_TIJ ,kg ha-1 ,ATIJ[2]\n\n!! Magnesium\nDDEP_MGJ ,kg ha-1 ,AMGJ[1]\nWDEP_MGJ ,kg ha-1 ,AMGJ[2]\nDDEP_MGK ,kg ha-1 ,0.0997*ASEACAT[1]+0.0170*ASOIL[1]+0.0032*ACORS[1]\nWDEP_MGK ,kg ha-1 ,0.0997*ASEACAT[2]+0.0170*ASOIL[2]+0.0032*ACORS[2]\nDDEP_MGJK ,kg ha-1 ,AMGJ[1]+DDEP_MGK[0]\nWDEP_MGJK ,kg ha-1 ,AMGJ[2]+WDEP_MGK[0]\n\n!! Potassium\nDDEP_KJ ,kg ha-1 ,AKJ[1]\nWDEP_KJ ,kg ha-1 ,AKJ[2]\nDDEP_KK ,kg ha-1 ,0.0310*ASEACAT[1]+0.0242*ASOIL[1]+0.0176*ACORS[1]\nWDEP_KK ,kg ha-1 ,0.0310*ASEACAT[2]+0.0242*ASOIL[2]+0.0176*ACORS[2]\nDDEP_KJK ,kg ha-1 ,AKJ[1]+DDEP_KK[0]\nWDEP_KJK ,kg ha-1 ,AKJ[2]+WDEP_KK[0]\n\n!! Manganese\nDDEP_MNJ ,kg ha-1 ,AMNJ[1]\nWDEP_MNJ ,kg ha-1 ,AMNJ[2]\n\n\n!---------------------------------------------------!\n!------------- Nitrogen Deposition -----------------!\n!---------------------------------------------------!\nDD_OXN_NOX ,kgN ha-1 ,0.30435*NO2[1] + 0.46667*NO[1]\nWD_OXN_NOX ,kgN ha-1 ,0.30435*NO2[2] + 0.46667*NO[2]\nDD_OXN_TNO3 ,kgN ha-1 ,0.22222*HNO3[1] + 0.22581*ANO3I[1] + 0.22581*ANO3J[1] + 0.22581*ANO3K[1]\nWD_OXN_TNO3 ,kgN ha-1 ,0.22581*WDEP_TNO3[0]\nDD_OXN_PANT ,kgN ha-1 ,0.11570*PAN[1] + 0.11570*PPN[1] + 0.11570*MPAN[1]\nWD_OXN_PANT ,kgN ha-1 ,0.11570*PAN[2] + 0.11570*PPN[2] + 0.11570*MPAN[2]\nDD_OXN_ORGN ,kgN ha-1 ,0.10770*(ONIT[1]+ISON[1]+NALD[1])\nWD_OXN_ORGN ,kgN ha-1 ,0.10770*(ONIT[2]+ISON[2]+NALD[2])\nDD_OXN_OTHR ,kgN ha-1 ,0.25926*N2O5[1] + 0.29787*HONO[1]+0.17720*PNA[1]+0.1717*CLNO2[1]\nWD_OXN_OTHR ,kgN ha-1 ,0.25926*N2O5[2] + 0.29787*HONO[2]+0.17720*PNA[2]+0.1717*CLNO2[2]\nDD_OXN_TOT ,kgN ha-1 ,DD_OXN_NOX[0] + DD_OXN_TNO3[0] + DD_OXN_PANT[0] + DD_OXN_ORGN[0] + DD_OXN_OTHR[0]\nWD_OXN_TOT ,kgN ha-1 ,WD_OXN_NOX[0] + WD_OXN_TNO3[0] + WD_OXN_PANT[0] + WD_OXN_ORGN[0] + WD_OXN_OTHR[0]\n\nTD_OXN_TOT ,kgN ha-1 ,DD_OXN_TOT[0] + WD_OXN_TOT[0]\nDD_REDN_TOT ,kgN ha-1 ,0.7777*DDEP_NHX[0]\nWD_REDN_TOT ,kgN ha-1 ,0.7777*WDEP_NHX[0]\nTD_REDN_TOT ,kgN ha-1 ,DD_REDN_TOT[0] + WD_REDN_TOT[0]\n\nDD_N_TOT ,kgN ha-1 ,DD_OXN_TOT[0] + DD_REDN_TOT[0]\nWD_N_TOT ,kgN ha-1 ,WD_OXN_TOT[0] + WD_REDN_TOT[0]\nTD_N_TOT ,kgN ha-1 ,DD_N_TOT[0] + WD_N_TOT[0]\n\n!! Nitrogen Deposition in milliequivalents Nitrogen\n!DD_OXN_TOTMEQ ,meqN m-2 ,7.14*DD_OXN_TOT[0]\n!WD_OXN_TOTMEQ ,meqN m-2 ,7.14*WD_OXN_TOT[0]\n!TD_OXN_TOTMEQ ,meqN m-2 ,DD_OXN_TOTMEQ[0] + WD_OXN_TOTMEQ[0]\n!DD_REDN_TOTMEQ ,meqN m-2 ,7.14*DD_REDN_TOT[0]\n!WD_REDN_TOTMEQ ,meqN m-2 ,7.14*WD_REDN_TOT[0]\n!TD_REDN_TOTMEQ ,meqN m-2 ,DD_REDN_TOTMEQ[0] + WD_REDN_TOTMEQ[0]\n!DD_N_TOTMEQ ,meqN m-2 ,DD_OXN_TOTMEQ[0] + DD_REDN_TOTMEQ[0]\n!WD_N_TOTMEQ ,meqN m-2 ,WD_OXN_TOTMEQ[0] + WD_REDN_TOTMEQ[0]\n!TD_N_TOTMEQ ,meqN m-2 ,DD_N_TOTMEQ[0] + WD_N_TOTMEQ[0]\n\n!-------------------------------------------------!\n!------------- Sulfur Deposition -----------------!\n!-------------------------------------------------!\nDD_S_TOT ,kgS ha-1 ,0.5*SO2[1] + 0.33333*ASO4I[1] + 0.33333*ASO4J[1] + 0.33333*ASO4K[1]\nWD_S_TOT ,kgS ha-1 ,0.33333*WDEP_TSO4[0]\nTD_S_TOT ,kgS ha-1 ,DD_S_TOT[0] + WD_S_TOT[0]\n!DD_S_SeaS ,kgS ha-1 ,0.33333*DDEP_SSSO4J[0] + 0.33333*DDEP_SSSO4K[0]\n!WD_S_SeaS ,kgS ha-1 ,0.33333*WDEP_SSSO4JK[0]\n!TD_S_SeaS ,kgS ha-1 ,DD_S_SeaS[0] + WD_S_SeaS[0]\n\n!! Sulfur Deposition in milliequivalents Sulfur\n!DD_S_TOTMEQ ,meqS m-2 ,6.24*DD_S_TOT[0]\n!WD_S_TOTMEQ ,meqS m-2 ,6.24*WD_S_TOT[0]\n!TD_S_TOTMEQ ,meqS m-2 ,DD_S_TOTMEQ[0] + WD_S_TOTMEQ[0]\n!DD_S_SeaSMEQ ,meqS m-2 ,6.24*DD_S_SeaS[0]\n!WD_S_SeaSMEQ ,meqS m-2 ,6.24*WD_S_SeaS[0]\n!TD_S_SeaSMEQ ,meqS m-2 ,DD_S_SeaSMEQ[0] + WD_S_SeaSMEQ[0]\n" }, { "path": "CCTM/src/MECHS/racm2_ae6_aq/SpecDef_racm2_ae6_aq.txt", "content": "!#start YYYYJJJ 010000\n!#end YYYYJJJ 000000\n#layer 1\n\n/\n! This Species Definition File is for Use with the COMBINE tool built for \n! post-processing CMAQ output. It is compatible with CMAQv5.2.\n! Date: May 12 2017\n\n! Output variables that begin with 'PM' represent those in which a size cut was \n! applied based on modeled aerosol mode parameters. For example, PM25_NA is all \n! sodium that falls below 2.5 um diameter. These 'PM' variables are used for \n! comparisons at IMPROVE and CSN sites.\n\n! Output variables that begin with 'PMAMS' represent the mass that would have\n! been detected by an Aerosol Mass Spectrometer.\n\n! Output variables beginning with 'A' (aside from AIR_DENS) represent a \n! combination of aerosol species in which no size cut was applied. For example, \n! ASO4IJ is the sum of i-mode and j-mode sulfate. These 'A' variables are used \n! for comparisons at CASTNet sites.\n\n! Output variables beginning with 'PMC' refer to the coarse fraction of total PM,\n! computed by summing all modes and subtracting the PM2.5 fraction. These 'PMC'\n! variables are used for comparisons at SEARCH sites.\n\n! This Species Definition File is just for use with the uncoupled, offline CMAQ,\n! model. If you are processing WRF-CMAQ results, a different Species Definition\n! file is required.\n\n/ File [1]: CMAQ conc/aconc file\n/ File [2]: METCRO3D file\n/ File [3]: ELMO/AELMO file\n/ File [4]: METCRO2D file\n/\n/new species ,units ,expression\n \n!-------------------------------------------!\n!------------- Meteorology -----------------!\n!-------------------------------------------!\nAIR_DENS ,kg m-3 ,DENS[2]\nRH ,% ,100.00*RH[3]\nSFC_TMP ,C ,(TEMP2[4]-273.15)\nPBLH ,m ,PBL[4]\nSOL_RAD ,W m-2 ,RGRND[4]\nprecip ,cm ,RC[4]>=0 ? RN[4]+RC[4] : RN[4]\nWSPD10 ,m s-1 ,WSPD10[4]\nWDIR10 ,deg ,WDIR10[4]\n\n!-------------------------------------------!\n!--------------- Gases ---------------------!\n!-------------------------------------------!\nALD2 ,ppbV ,1000.0*ACD[1], acetaldehyde is ACD in RACM2\nBENZENE ,ppbV ,1000.0*BENZENE[1]\nCO ,ppbV ,1000.0*CO[1]\nETH ,ppbV ,1000.0*ETE[1], ethene is ETE in RACM2\nETHA ,ppbV ,1000.0*ETH[1], ethane is ETH in RACM2\nFORM ,ppbV ,1000.0*HCHO[1], formaldehyde is HCHO RACM2\nH2O2 ,ppbV ,1000.0*H2O2[1]\nHNO3 ,ppbV ,1000.0*HNO3[1]\nHNO3_UGM3 ,ug m-3 ,1000.0*(HNO3[1]*2.1756*DENS[2]) \nHONO ,ppbV ,1000.0*HONO[1]\nHOX ,ppbV ,1000.0*(HO[1]+HO2[1])\nOH ,ppbV ,1000.0*HO[1]\nISOP ,ppbV ,1000.0*ISO[1], isoprene is ISO in RACM2\nN2O5 ,ppbV ,1000.0*N2O5[1]\nNH3 ,ppbV ,1000.0*NH3[1]\nNH3_UGM3 ,ug m-3 ,1000.0*(NH3[1]*0.5880*DENS[2])\nNHX ,ug m-3 ,1000.0*(NH3[1]*0.5880*DENS[2])+ANH4I[1]+ANH4J[1]+ANH4K[1]\nNO ,ppbV ,1000.0*NO[1]\nNO2 ,ppbV ,1000.0*NO2[1]\nNOX ,ppbV ,1000.0*(NO[1] + NO2[1])\nANO3_PPB ,ppbV ,(ANO3I[1]+ANO3J[1]+ANO3K[1])/(DENS[2]*(62.0/28.97))\nNTR ,ppbV ,1000.0*(ONIT[1]+ISON[1]+NALD[1]), organic nitrates in RACM2\nPANS ,ppbV ,1000.0*(PAN[1]+PPN[1]+MPAN[1])\nNOY ,ppbV ,1000.0*(NO[1]+NO2[1]+NO3[1]+2*N2O5[1]+HONO[1] \\\n +HNO3[1]+HNO4[1]+PAN[1]+PPN[1]+MPAN[1] \\\n +ISON[1]+ONIT[1]+NALD[1])+ANO3_PPB[0]\nO3 ,ppbV ,1000.0*O3[1]\nSO2 ,ppbV ,1000.0*SO2[1]\nSO2_UGM3 ,ug m-3 ,1000.0*(SO2[1]*2.2118*DENS[2])\nTERP ,ppbV ,1000.0*(API[1]+LIM[1]), a-pinene and limonene monoterpenes in RACM2\nTOL ,ppbV ,1000.0*TOL[1]\nXYL ,ppbV ,1000.0*(XYO[1]+XYM[1]+XYP[1])\n\n!! Unused Gases. Presented Here for illustration. Users can uncomment\n!! them if they choose.\n!ALDX ,ppbV ,1000.0*ALD[1], C3 and higher aldehydes is ALD in RACM2\n!IOLE ,ppbV ,1000.0*OLI[1], internal olefin is OLI in RACM2\n!NOZ ,ppbV ,NOY[0]-NOX[0]\n!OLE ,ppbV ,1000.0*OLT[1], terminal olefines is OLT in RACM2\n!SULF ,ppbV ,1000.0*SULF[1]\n!VOC ,ppbC ,1000.0*(1.0*HCHO[1]+2.0*ACD[1]+3.0*ALD[1]+2.0*ETH[1] \\\n! +3.6*HC3[1]+5.6*HC5[1]+7.9*HC8[1]+2.0*ETE[1] \\\n! +5.0*OLI[1]+3.8*OLT[1]+2.0*ACE[1]+3.0*ACT[1] \\\n! +5.0*ISO[1]+10.0*API[1]+10.0*LIM[1] \\\n! +6.0*BENZENE[1]+7.1*TOL[1]+8.9*XYL[0] \\\n! +7.0*BALD[1]+1.0*MOH[1]+2.0*EOH[1] \\\n! +3.0*ROH[1]+7.0*CSL[1]+3.0*MGLY[1]+4.0*MEK[1] \\\n! +5.0*KET[1]+3.0*HKET[1]+2.0*GLY[1]+6.0*PHEN[1]\\\n! +4.0*MVK[1]+4.0*MACR[1]+7.0*MCT[1]+2.0*NALD[1]\\\n! +5.0*UALD[1]+4.0*DIEN[1]+7.75*EPX[1]+2.0*ETEG[1])\n\n!-------------------------------------------!\n!--------------- Particles -----------------!\n!-------------------------------------------!\n!! Crustal Elements\nAFEJ ,ug m-3 ,PMF_FE[3]\nAALJ ,ug m-3 ,PMF_AL[3]\nASIJ ,ug m-3 ,PMF_SI[3]\nATIJ ,ug m-3 ,PMF_TI[3]\nACAJ ,ug m-3 ,PMF_CA[3]\nAMGJ ,ug m-3 ,PMF_MG[3]\nAKJ ,ug m-3 ,PMF_K[3]\nAMNJ ,ug m-3 ,PMF_MN[3]\nASOILJ ,ug m-3 ,PMF_SOILIMPV[3]\n\n!! Non-Crustal Inorganic Particle Species\nAHPLUSIJ ,ug m-3 ,PMF_HP[3]\nANAK ,ug m-3 ,PMC_NA[3]\nAMGK ,ug m-3 ,PMC_MG[3]\nAKK ,ug m-3 ,PMC_K[3]\nACAK ,ug m-3 ,PMC_CA[3]\nACLIJ ,ug m-3 ,PMF_CL[3]\nAECIJ ,ug m-3 ,PMF_EC[3]\nANAIJ ,ug m-3 ,PMF_NA[3]\nANO3IJ ,ug m-3 ,PMF_NO3[3]\nANO3K ,ug m-3 ,PMC_NO3[3]\nANH4IJ ,ug m-3 ,PMF_NH4[3]\nANH4K ,ug m-3 ,PMC_NH4[3]\nASO4IJ ,ug m-3 ,PMF_SO4[3]\nASO4K ,ug m-3 ,PMC_SO4[3]\n\n!! Organic Particle Species\nAPOCIJ ,ugC m-3 ,PMF_POC[3]\nAPOMIJ ,ug m-3 ,PMF_POA[3]\nASOCIJ ,ugC m-3 ,PMF_SOC[3]\nASOMIJ ,ug m-3 ,PMF_SOA[3]\nAOCIJ ,ugC m-3 ,PMF_OC[3]\nAOMIJ ,ug m-3 ,PMF_OA[3]\n\n!!! Anthropogenic-VOC Derived Organic Aerosol\nAORGAJ ,ug m-3 ,PMF_ASOA[3]\n\n!!! Biogenic-VOC Derived Organic Aerosol\nAORGBJ ,ug m-3 ,PMF_BSOA[3]\n\n!!! Cloud-Processed SOA\nAORGCJ ,ug m-3 ,AORGCJ[1]\n\n!!! OM/OC ratios\nAOMOCRAT_TOT , ,PMF_OMOC[3]\n\n!! Total PM Aggregates\nATOTI ,ug m-3 ,PMAIT_MASS[3]\nATOTJ ,ug m-3 ,PMACC_MASS[3]\nATOTK ,ug m-3 ,PMC_MASS[3]\nATOTIJ ,ug m-3 ,PMF_MASS[3]\nATOTIJK ,ug m-3 ,PM_MASS[3]\n\n!! Unspeciated PM including non-carbon organic mass\nAUNSPEC1IJ ,ug m-3 ,PMF_UN_IMPV1[3] \n!! Non-Carbon Organic Mass\nANCOMIJ ,ug m-3 ,PMF_NCOM[3]\n\n!! Unspeciated PM excluding non-carbon organic mass\nAUNSPEC2IJ ,ug m-3 ,PMF_UN_IMPV2[3]\n\n!! AMS Projection of Output Concentrations\nPMAMS_CL ,ug m-3 ,PMAMS_CL[3]\nPMAMS_NH4 ,ug m-3 ,PMAMS_NH4[3]\nPMAMS_NO3 ,ug m-3 ,PMAMS_NO3[3]\nPMAMS_OA ,ug m-3 ,PMAMS_OA[3]\nPMAMS_SO4 ,ug m-3 ,PMAMS_SO4[3]\n\n!! PM1 Cutoff Output\nPM1_TOT ,ug m-3 ,PM1[3]\n\n!! Unused PM1 Species. Included Here for demonstration\n!PM1_EC ,ug m-3 ,PM1_EC[3]\n!PM1_OC ,ugC m-3 ,PM1_OC[3]\n!PM1_OM ,ug m-3 ,PM1_OA[3]\n!PM1_SO4 ,ug m-3 ,PM1_SO4[3]\n!PM1_CL ,ug m-3 ,PM1_CL[3]\n!PM1_NA ,ug m-3 ,PM1_NA[3]\n!PM1_MG ,ug m-3 ,PM1_MG[3]\n!PM1_K ,ug m-3 ,PM1_K[3]\n!PM1_CA ,ug m-3 ,PM1_CA[3]\n!PM1_NH4 ,ug m-3 ,PM1_NH4[3]\n!PM1_NO3 ,ug m-3 ,PM1_NO3[3]\n!PM1_SOIL ,ug m-3 ,PM1_SOIL[3]\n!PM1_UNSPEC1 ,ug m-3 ,PM1_UNSP1[3]\n!PM1_UNSPCRS ,ug m-3 ,PM1_UNSPCRS[3]\n\n!! PM2.5 species computed using modeled size distribution\nPM25_HP ,ug m-3 ,PM25_HP[3]\nPM25_CL ,ug m-3 ,PM25_CL[3] \nPM25_EC ,ug m-3 ,PM25_EC[3] \nPM25_NA ,ug m-3 ,PM25_NA[3] \nPM25_MG ,ug m-3 ,PM25_MG[3] \nPM25_K ,ug m-3 ,PM25_K[3] \nPM25_CA ,ug m-3 ,PM25_CA[3] \nPM25_NH4 ,ug m-3 ,PM25_NH4[3] \nPM25_NO3 ,ug m-3 ,PM25_NO3[3] \nPM25_OC ,ugC m-3 ,PM25_OC[3] \nPM25_OM ,ug m-3 ,PM25_OA[3] \nPM25_SOIL ,ug m-3 ,PM25_SOIL[3] \nPM25_SO4 ,ug m-3 ,PM25_SO4[3] \nPM25_TOT ,ug m-3 ,PM25[3] \nPM25_UNSPEC1 ,ug m-3 ,PM25_UNSP1[3] \nPM25_UNSPCRS ,ug m-3 ,PM25_UNSPCRS[3] \n \n\n!! PM10.0 and Coarse-Sized Species\nPM10 ,ug m-3 ,PM10[3]\n \nPMC_CL ,ug m-3 ,PM25TO10_CL[3]\nPMC_NA ,ug m-3 ,PM25TO10_NA[3]\nPMC_NH4 ,ug m-3 ,PM25TO10_NH4[3] \nPMC_NO3 ,ug m-3 ,PM25TO10_NO3[3] \nPMC_SO4 ,ug m-3 ,PM25TO10_SO4[3] \nPMC_TOT ,ug m-3 ,PM25TO10[3] \n \n!! FRM PM Equivalent Calculation\nPMIJ_FRM ,ug m-3 ,PMF_FRM[3]\nPM25_FRM ,ug m-3 ,PM25_FRM[3]\n" }, { "path": "CCTM/src/MECHS/racm2_ae6_aq/mech_racm2_ae6_aq.def", "content": "!! **********************************************************************\n!! FILE: RACM2.5M4.mch - update MACR scheme with geos-chem\n!! DATE: Sept 4, 2012 - update MVK + O3 rxn\n!! VERSION: Final Frozen Version - all updates from reviewers\n!! ID: RACM Version 2.5M1 - updates from IUPAC JAN 2008\n!! LAST UPDATE: Sept 4, 2012\n!! --------------------------------------------------------------------\n!! Based on REGIONAL ATMOSPHERIC CHEMISTRY MECHANISM (RACM) Version 1.3\n!! Reference: W.R. Stockwell, F. Kirchner, M. Kuhn, and S. Seefeld, \"A \n!! New Mechanism for Regional Atmospheric Chemistry Modeling\", J. of\n!! Geophys. Res., 1997.\n!! --------------------------------------------------------------------\n!! FOR MORE INFORMATION REGARDING THIS MECHANISM CONTACT:\n!! Wendy S. Goliff \n!! CE-CERT\n!! UC Riverside\n!! 1084 Columbia Ave\n!! Riverside, CA 92507\n!! E-MAIL: wendyg@cert.ucr.edu\n!! Telephone: (951) 781-5665\n!! FAX: \n!! OR\n!! William R. Stockwell\n!! Department of Chemistry, Room 120\n!! Howard University\n!! 525 College Street, NW\n!! Washington DC 20059\n!! E-MAIL: William.R.Stockwell@gmail.com\n!! Telephone: (202) 806-6913\n!! FAX: (202) 806-5442 \n! **********************************************************************\n! The RACM2 mechanism is based upon the earlier Regional Atmospheric\n! Chemistry Mechanism (RACM) mechanism. It is intended to be valid for \n! conditions ranging from remote to polluted and from the Earth's\n! surface through the upper troposphere. The RACM2 mechanism includes\n! 356 reactions and 117 total species: 17 stable inorganic species, 4 \n! inorganic intermediates, 54 stable organic species (4 of these are\n! primarily of biogenic origin) and 42 organic intermediates.\n! **********************************************************************\n! **********************************************************************\n! Reformatted by Golam Sarwar in September 2012 for making it compatible with CMAQ \n! Following species have been removed from the product list since these are used as constants in CMAQ - CH4, H2, O2\n! Following species have been removed from the product list since these are used as input to CMAQ - H2O\n! Following species have been removed from the product list since since CMAQ does not track these species - CO2 \n!\n!\n! Modified for incorporating secondary sulfate and SOA mechanism\n! Added SULRXN - counter species for aerosol from SO2 + OH reaction \n! Added ISOPRXN - counter species for aerosol from ISO + OH reaction \n! Added TRPRXN - counter species for aerosol from API and LIM \n! Added TOLRO2, XYLRO2, BENZRO2 - first generation products from TOL, XYL and BEN that further react with NO and NO2 to produce SVOC\n! Added two reactions for TOLRO2, added TOLNRXN, TOLHRXN - counter species for aerosol from TOL\n! Added two reactions for XYLRO2, added XYLNRXN, XYLHRXN - counter species for aerosol from XYL and XYO\n! Added two reactions for BENZRO2 added BNZNRXN, BNZHRXN - counter species for aerosol from BEN\n! Added three reactions for SESQ from sesquiterpene, added SESQRXN - counter species for aerosol from SESQ\n! BEN is changed to BENZENE since SOA module is expecting BENZENE, not BEN\n! ADDED ALK5 FOR SOA PRODUCTION from HC8\n!\n! Rate constant for R051 has a special expression \n!\n! Revised the rate constant of R65 based on IUPAC2010\n!\n! Wendy Goliff corrected type errors in R110 and R111\n!\n! B.Hutzell 07/10/14\n! added inorganic heterogeneous reactions for N2O5 and NO2, oligomerization reactions for\n! SOA species and aging reactions for primary organic carbon and non-carbon aerosol species\n! B.Hutzell 11/3/14\n! -changed ALK5RXN yield in reaction from 1.0 to 0.47 based on SOA updates\n! suggested by H.Pye's for cb05e51_ae6_aq\n! -Modified by splitting oligomerization into two reactions: one for each\n! Alkene SOA species. The new species were introduced in cb05e51_ae6_aq\n! Golam Sarwar 12/02/14\n! -Added a simple halogen chemistry over sea-water\n! Golam Sarwar 6/25/15\n! -Revised the simple halogen chemistry over sea-water using results of two-way CMAQ model and detailed halogen chemistry\n! Golam Sarwar 6/29/15\n! - Updated SOA formation; sse CB05 changes done by Havala Pye for details \n! - Added ISOPRXN counter to ISO + NO3 reaction to add SOA formation \n! - Added SOAALK + OH reaction for SOA production and removed ALK5RXN from R075 \n! - Added Napthlane reaction for SOA \n! - Added heterogeneous uptake of IEPOX on acidic aerosol \n! - Yield of XYLRO2 in R083 is reduced to 0.98 to prevent double counting of SOA production from XYM since napthlanene is also included in XYM\n! - 0.98 is the emission ratio of (XYM-NAPTH)/XYM for July 2011\n! 05-25-17 B.Hutzell\n! 1. updated the oligomerization reactions to be consistent with the \n! saprc07tic_ae6_aq mechanism.\n! 03-04-21 G.Sarwar\n! updated \n! 11-19-2021 G. Sarwar\n! updated k for R40 (bug fix) and photolysis rate coefficients for HCHO (R010 and R011)\n!------------------------------------------------------------------------------ \nRACM2_AE6_AQ\n\nREACTIONS[CM] =\n\n O3 = O3P # 1.0/;\n O3 = O1D # 1.0/;\n H2O2 = 2.0*HO # 1.0/;\n NO2 = O3P + NO # 1.0/;\n NO3 = NO # 1.0/;\n NO3 = O3P + NO2 # 1.0/;\n HONO = HO + NO # 1.0/;\n HNO3 = HO + NO2 # 1.0/;\n HNO4 = 0.20*HO + 0.80*HO2\n + 0.80*NO2\n + 0.20*NO3 # 1.0/;\n HCHO = CO # 1.0/;\n HCHO = HO2 + HO2 \n + CO # 1.0/;\n ACD = HO2 + MO2 \n + CO # 1.0/;\n ALD = HO2 + ETHP \n + CO # 1.0/;\n ACT = MO2 + ACO3 # 1.0/;\n UALD = 1.22*HO2 + 0.784*ACO3\n + 1.22*CO\n + 0.35*HCHO\n + 0.434*ALD\n + 0.216*KET # 1.0/;\n MEK = 0.50*MO2 + 0.50*ETHP\n + ACO3 # 1.0/;\n KET = ETHP + ACO3 # 1.0/;\n HKET = HO2 + ACO3 \n + HCHO # 1.0/;\n MACR = 0.34*HO + 0.66*HO2\n + 0.67*ACO3\n + 0.33*MACP\n + 0.34*XO2\n + 0.67*CO\n + 0.67*HCHO # 1.0/;\n MVK = 0.3*MO2 + 0.3*MACP\n + 0.7*CO\n + 0.7*UALD # 1.0/;\n GLY = 2*CO # 1.0/;\n GLY = HCHO + CO # 1.0/;\n GLY = 2*HO2 + 2*CO # 1.0/;\n MGLY = HO2 + ACO3 \n + CO # 1.0/;\n DCB1 = 1.5*HO2 + 0.25*ACO3\n + 0.2*XO2\n + CO\n + 0.5*GLY\n + 0.5*MGLY # 1.0/;\n DCB2 = 1.5*HO2 + 0.25*ACO3\n + 0.2*XO2\n + CO\n + 0.5*GLY\n + 0.5*MGLY # 1.0/;\n BALD = CHO + HO2\n + CO # 1.0/;\n OP1 = HO + HO2\n + HCHO # 1.0/;\n OP2 = HO + HO2\n + ALD # 1.0/;\n PAA = HO + MO2 # 1.0/;\n ONIT = HO2 + NO2\n + 0.20*ALD \n + 0.80*KET # 1.0/;\n PAN = ACO3 + NO2 # 1.0/;\n PAN = MO2 + NO3 # 1.0/;\n O3 + HO = HO2 # 1.7E-12 @ 940.;\n O3 + HO2 = HO # 1.0E-14 @ 490.;\n O3 + NO = NO2 # 1.4E-12 @ 1310.;\n O3 + NO2 = NO3 # 1.4E-13 @ 2470.;\n O3P + O2 + M = O3 # 5.74E-34 ^ -2.6; \n O3P + O3 = # 8.0E-12 @ 2060.;\n O1D + O2 = O3P # 3.3E-11 @ -67.;\n O1D + N2 = O3P # 2.0E-11 @ -130.;\n O1D + H2O = 2.0*HO # 2.14E-10;\n H2 + HO = HO2 # 7.70E-12 @ 2100.;\n HO + HO2 = # 4.8E-11 @ -250.;\n HO2 + HO2 = H2O2 %3 # 2.2E-13 @ -600. & \n 1.9E-33 @ -980.;\n HO2 + HO2 + H2O = H2O2 %3 # 3.08E-34 @ -2800. &\n 2.59E-54 @ -3180.;\n H2O2 + HO = HO2 # 2.9E-12 @ 160.;\n NO + O3P = NO2 # 9.0E-32 ^ -1.5 &\n 3.0E-11 ^ 0.0 ;\n NO + HO = HONO # 7.0E-31 ^ -2.6 &\n 3.6E-11 ^ -0.1;\n NO + HO2 = NO2 + HO # 3.45E-12 @ -270.;\n NO + HO2 = HNO3 %3 # 6.095e-14^-1.0@-270.0& \n 6.857e-34^1.0@-270.0&\n -5.968e-14@-270.0;\n NO + NO + O2 = 2.0*NO2 # 3.3E-39 @ -530.;\n HONO + HO = NO2 # 2.5E-12 @ -260.; \n NO2 + O3P = NO # 5.5E-12 @ -188.;\n NO2 + O3P = NO3 # 2.5E-31 ^ -1.8 &\n 2.2E-11 ^ -0.7;\n NO2 + HO = HNO3 # 1.51E-30 ^ -3.0 & \n 2.58E-11 ^ 0.0; \n HNO3 + HO = NO3 %2 # 2.4E-14 @ -460 & \n 2.7E-17 @ -2199 &\n 6.5E-34 @ -1335;\n NO3 + HO = HO2 + NO2 # 2.0E-11; \n NO3 + HO2 = 0.7*HO + 0.7*NO2\n + 0.3*HNO3 # 4.0E-12;\n NO3 + NO = 2.0*NO2 # 1.8E-11 @ -110.;\n NO3 + NO2 = NO + NO2 # 4.5E-14 @ 1260.;\n NO3 + NO3 = 2.0*NO2 # 8.5E-13 @ 2450.;\n NO3 + NO2 = N2O5 # 2.0E-30 ^ -4.4 & \n 1.4E-12 ^ -0.7;\n N2O5 = NO2 + NO3 # 2.70E-27 @ -11000.0\n *E;\n N2O5 + H2O = 2.0*HNO3 # 1.0E-22;\n NO2 + HO2 = HNO4 # 2.0E-31 ^ -3.4 &\n 2.9E-12 ^ -1.1;\n HNO4 = HO2 + NO2 # 2.10E-27 @ -10900.0\n *E;\n HNO4 + HO = NO2 # 1.3E-12 @ -380.;\n SO2 + HO = HO2 + SULF \n + SULRXN # 3.3E-31 ^ -4.3 &\n 1.6E-12 ^ 0.0;\n CO + HO = HO2 %3 # 1.44E-13 @ 0.0 & \n 2.88E-33 @ 0.0; \n CH4 + HO = MO2 # 1.85E-12 @ 1690.;\n ETH + HO = ETHP # 6.90E-12 @ 1000.;\n HC3 + HO = HC3P # 7.68E-12 @ 370.;\n HC5 + HO = HC5P # 1.01E-11 @ 245.;\n HC8 + HO = 0.049*HO2 + 0.951*HC8P\n + 0.025*ALD\n + 0.024*HKET # 2.82E-11 @ 273.;\n ETE + HO = ETEP # 1.0E-28 ^ -4.5 &\n 8.8E-12 ^ -0.85;\n OLT + HO = OLTP # 5.72E-12 @ -500.;\n OLI + HO = OLIP # 1.33E-11 @ -500.;\n DIEN + HO = OLIP # 1.48E-11 @ -448.;\n ACE + HO = 0.650*HO + 0.350*HO2\n + 0.350*CO\n + 0.650*GLY\n + 0.350*ORA1 # 5.5E-30 ^ 0.0 & \n 8.3E-13 ^ 2.0;\n BENZENE + HO = 0.648*HO2 + 0.352*BENP\n + 0.118*EPX\n + 0.530*PHEN\n + 1.0*BENZRO2 # 2.33E-12 @ 193.;\n TOL + HO = 0.177*HO2 + 0.763*TR2\n + 0.060*TLP1\n + 0.177*CSL\n + 1.0*TOLRO2 # 1.81E-12 @ -354.;\n XYM + HO = 0.177*HO2 + 0.763*XY2\n + 0.060*XYL1\n + 0.177*CSL \n + 0.98*XYLRO2 # 2.31E-11;\n XYP + HO = 0.177*HO2 + 0.763*XY2\n + 0.060*XYL1\n + 0.177*CSL\n + 1.0*XYLRO2 # 1.43E-11;\n XYO + HO = 0.177*HO2 + 0.763*XYO2 \n + 0.060*XYL1\n + 0.177*CSL \n + 1.0*XYLRO2 # 1.36E-11;\n ISO + HO = ISOP + ISOPRXN # 2.70E-11 @ -390.;\n API + HO = APIP + TRPRXN # 1.21E-11 @ -440.;\n LIM + HO = LIMP + TRPRXN # 4.20E-11 @ -401.;\n HCHO + HO = HO2 + CO # 5.50E-12 @ -125.; \n ACD + HO = ACO3 # 4.70E-12 @ -345.; \n ALD + HO = RCO3 # 4.90E-12 @ -405.; \n ACT + HO = ACTP # 4.56E-14 ^ 3.65 @ 427;\n MEK + HO = MEKP # 1.5E-12 @ 90.;\n KET + HO = KETP # 2.8E-12 @ -10.; \n HKET + HO = HO2 + MGLY # 3.0E-12;\n MACR + HO = 0.57*MACP + 0.43*MCP # 8.00E-12 @ -380.;\n MVK + HO = MVKP # 2.60E-12 @ -610.;\n UALD + HO = 0.313*ACO3 + 0.687*UALP # 5.77E-12 @ -533.; \n GLY + HO = HO2 + 2.0*CO # 1.1E-11;\n MGLY + HO = ACO3 + CO # 9.26E-13 @ -830.;\n DCB1 + HO = 0.52*HO2 + 0.33*CO \n + 0.40*ALD\n + 0.78*KET \n + 0.10*GLY \n + 0.01*MGLY # 2.8E-11 @ -175.;\n DCB2 + HO = 0.52*HO2 + 0.33*CO \n + 0.13*MEK \n + 0.10*GLY \n + 0.01*MGLY \n + 0.78*OP2 # 2.8E-11 @ -175.;\n DCB3 + HO = 0.56*HO2 + 0.21*MACP \n + 0.11*CO \n + 0.27*GLY \n + 0.01*MGLY \n + 0.79*OP2 # 1.00E-11;\n BALD + HO = BALP # 5.32E-12 @ -243.;\n PHEN + HO = 0.73*HO2 + 0.20*ADDC \n + 0.07*CHO\n + 0.73*MCT # 6.75E-12 @ -405.;\n CSL + HO = 0.73*HO2 + 0.20*ADDC \n + 0.07*CHO\n + 0.73*MCT # 4.65E-11 @ 0.0;\n EPX + HO = HO2 + XO2\n + CO\n + ALD # 2.8E-11 @ -175.;\n MCT + HO = MCTO # 2.05E-10 @ 0.0;\n MOH + HO = HO2 + HCHO # 2.85E-12 @ 345.;\n EOH + HO = HO2 + ACD # 3.0E-12 @ -20.;\n ROH + HO = HO2 + 0.719*ALD \n + 0.184*ACD # 2.6E-12 @ -200.;\n ETEG + HO = HO2 + ALD # 1.47E-11;\n OP1 + HO = 0.35*HO + 0.65*MO2\n + 0.35*HCHO # 2.9E-12 @ -190.;\n OP2 + HO = 0.01*HO + 0.44*HC3P\n + 0.07*XO2 \n + 0.08*ALD \n + 0.41*KET # 3.40E-12 @ -190.0;\n ISHP + HO = HO + MACR\n + 0.904*IEPOX # 1.0E-10; \n MAHP + HO = MACP # 3.0E-11;\n ORA1 + HO = HO2 # 4.5E-13;\n ORA2 + HO = 0.64*MO2 + 0.36*ORAP # 4.0E-14 @ -850.;\n PAA + HO = 0.35*HO + 0.65*ACO3 \n + 0.35*XO2\n + 0.35*HCHO # 2.93E-12 @ -190.;\n PAN + HO = XO2 + NO3\n + HCHO # 4.0E-14;\n PPN + HO = XO2 + NO3\n + HCHO # 4.0E-14;\n MPAN + HO = NO2 + HKET # 3.2E-11;\n ONIT + HO = HC3P + NO2 # 5.31E-12 @ 260.;\n NALD + HO = NO2 + XO2 \n + HKET # 5.6E-12 @ -270.;\n ISON + HO = NALD + 0.07*HKET\n + 0.07*HCHO # 1.3E-11; \n ETE + O3 = 0.08*HO + 0.15*HO2\n + 0.43*CO\n + HCHO\n + 0.37*ORA1 # 9.14E-15 @ 2580.;\n OLT + O3 = 0.22*HO + 0.32*HO2 \n + 0.08*MO2 \n + 0.06*ETHP \n + 0.04*HC3P \n + 0.02*HC5P \n + 0.068*H2O2 \n + 0.43*CO \n + 0.02*ETH \n + 0.015*HC3 \n + 0.006*HC5 \n + 0.032*BENZENE \n + 0.56*HCHO \n + 0.01*ACD \n + 0.44*ALD \n + 0.03*ACT \n + 0.02*BALD \n + 0.06*MEK \n + 0.01*HKET \n + 0.03*ORA1 \n + 0.06*ORA2 # 4.33E-15 @ 1800.0;\n OLI + O3 = 0.46*HO + 0.07*HO2 \n + 0.32*MO2 \n + 0.07*ETHP \n + 0.04*HC3P \n + 0.09*ACO3 \n + 0.37*CO \n + 0.026*H2O2 \n + 0.01*ETH \n + 0.01*HC3 \n + 0.09*HCHO \n + 0.457*ACD\n + 0.73*ALD \n + 0.11*ACT \n + 0.017*KET \n + 0.044*HKET \n + 0.017*ORA2 # 4.40E-15 @ 845.0; \n DIEN + O3 = 0.09*O3P + 0.28*HO \n + 0.30*HO2\n + 0.03*MO2 \n + 0.15*ACO3 \n + 0.02*KETP \n + 0.13*XO2 \n + 0.001*H2O2 \n + 0.36*CO \n + 0.35*OLT \n + 0.90*HCHO \n + 0.39*MACR \n + 0.15*ORA1 # 1.34E-14 @ 2283.0;\n ISO + O3 = 0.25*HO + 0.25*HO2\n + 0.08*MO2\n + 0.1*ACO3\n + 0.1*MACP\n + 0.09*H2O2\n + 0.14*CO\n + 0.58*HCHO\n + 0.461*MACR\n + 0.189*MVK\n + 0.28*ORA1\n + 0.153*OLT # 7.86E-15 @ 1913.;\n API + O3 = 0.85*HO + 0.10*HO2\n + 0.20*ETHP\n + 0.42*KETP\n + 0.02*H2O2\n + 0.14*CO\n + 0.65*ALD\n + 0.53*KET\n + 1.0*TRPRXN # 5.0E-16 @ 530.;\n LIM + O3 = 0.85*HO + 0.10*HO2 \n + 0.16*ETHP\n + 0.42*KETP\n + 0.02*H2O2\n + 0.14*CO\n + 0.46*OLT\n + 0.04*HCHO\n + 0.79*MACR\n + 0.01*ORA1\n + 0.07*ORA2\n + 1.0*TRPRXN # 2.95E-15 @ 783.;\n MACR + O3 = 0.19*HO + 0.14*HO2\n + 0.10*ACO3 \n + 0.22*CO\n + 0.50*MGLY \n + 0.45*ORA1 # 1.36E-15 @ 2112.;\n MVK + O3 = 0.16*HO + 0.11*HO2\n + 0.28*ACO3\n + 0.01*XO2\n + 0.56*CO\n + 0.10*HCHO\n + 0.54*MGLY\n + 0.07*ORA1\n + 0.07*ORA2\n + 0.10*ALD # 8.50E-16 @ 1520.;\n UALD + O3 = 0.100*HO + 0.072*HO2 \n + 0.008*MO2 \n + 0.002*ACO3 \n + 0.10*XO2 \n + 0.243*CO \n + 0.080*HCHO \n + 0.420*ACD \n + 0.028*KET \n + 0.491*GLY \n + 0.003*MGLY \n + 0.044*ORA1 # 1.66E-18;\n DCB1 + O3 = 0.05*HO + HO2 \n + 0.60*RCO3 \n + 0.60*XO2 \n + 1.50*CO \n + 0.05*HCHO \n + 0.05*GLY \n + 0.08*MGLY \n + 0.65*OP2 # 2.0E-16;\n DCB2 + O3 = 0.05*HO + HO2 \n + 0.60*RCO3 \n + 0.60*XO2 \n + 1.50*CO \n + 0.05*HCHO \n + 0.05*GLY \n + 0.08*MGLY \n + 0.70*DCB1 \n + 0.65*OP2 # 2.0E-16;\n DCB3 + O3 = 0.05*HO + HO2 \n + 1.50*CO \n + 0.48*GLY \n + 0.70*DCB1 \n + 0.25*ORA1 \n + 0.25*ORA2 \n + 0.11*PAA # 9.0E-17;\n EPX + O3 = 0.05*HO + 1.5*HO2\n + 1.5*CO\n + 0.85*BALD\n + GLY # 5.0E-16;\n MCTO + O3 = MCTP # 2.86E-13;\n ETE + NO3 = 0.80*OLNN + 0.20*OLND # 4.392E-13^2.0@2282.0; \n OLT + NO3 = 0.43*OLNN + 0.57*OLND # 1.79E-13 @ 450.;\n OLI + NO3 = 0.11*OLNN + 0.89*OLND # 8.64E-13 @ -450.;\n DIEN + NO3 = 0.90*OLNN + 0.10*OLND\n + 0.90*MACR # 1.0E-13;\n ISO + NO3 = ISON + ISOPRXN # 3.03E-12 @ 446.;\n API + NO3 = 0.10*OLNN + 0.90*OLND\n + 1.0*TRPRXN # 1.19E-12 @ -490.;\n LIM + NO3 = 0.71*OLNN + 0.29*OLND\n + 1.0*TRPRXN # 1.22E-11;\n HCHO + NO3 = HO2 + CO \n + HNO3 # 2.0E-12 @ 2440.;\n ACD + NO3 = ACO3 + HNO3 # 1.4E-12 @ 1900.;\n ALD + NO3 = RCO3 + HNO3 # 3.76E-12 @ 1900.;\n MACR + NO3 = 0.68*HCHO + 0.32*MACP\n + 0.68*XO2\n + 0.68*MGLY\n + 0.32*HNO3 \n + 0.68*NO2 # 3.40E-15;\n UALD + NO3 = HO2 + XO2\n + 0.668*CO\n + 0.332*HCHO\n + 0.332*ALD\n + ONIT # 5.02E-13 @ 1076.;\n GLY + NO3 = HO2 + 2.0*CO \n + HNO3 # 2.90E-12 @ 1900.;\n MGLY + NO3 = ACO3 + CO \n + HNO3 # 3.76E-12 @ 1900.;\n PHEN + NO3 = 0.4*CHO + 0.1*ADDC\n + 0.5*ADCN \n + 0.5*HNO3 # 3.78E-12;\n CSL + NO3 = 0.4*CHO + 0.1*ADDC \n + 0.5*ADCN \n + 0.5*HNO3 # 1.06E-12;\n EPX + NO3 = 0.50*HO + 1.50*HO2\n + 1.50*CO\n + GLY\n + 0.50*NO2\n + 0.50*HNO3 # 2.87E-13 @ 1000.;\n MCT + NO3 = MCTO + HNO3 # 2.01E-10;\n MPAN + NO3 = MACP + NO2 # 2.2E-14 @ 500.;\n TR2 = 0.28*HO + 0.29*HO2\n + 0.28*TOLP \n + 0.15*PER1\n + 0.28*DCB2\n + 0.01*CSL \n + 0.28*EPX # 1.0E+03;\n TOLP = 0.49*HO + 0.01*HO2\n + 0.50*PER1\n + 0.49*DCB2\n + 0.01*CSL # 1.0E+03;\n XY2 = 0.158*HO + 0.308*HO2 \n + 0.250*RCO3\n + 0.308*XYLP\n + 0.150*PER2\n + 0.224*DCB2\n + 0.010*CSL\n + 0.840*EPX # 1.00E+03;\n XYLP = 0.390*HO + 0.010*HO2\n + 0.300*PER2 \n + 0.490*DCB2\n + 0.010*CSL # 1.0E+03;\n XYO2 = 0.158*HO + 0.308*HO2\n + 0.250*RCO3\n + 0.150*PER2\n + 0.308*XYOP\n + 0.224*DCB2\n + 0.010*CSL\n + 0.840*EPX # 1.0E+03;\n XYOP = 0.390*HO + 0.010*HO2 \n + 0.500*PER2\n + 0.490*DCB2\n + 0.010*CSL # 1.0E+03;\n ACO3 + NO2 = PAN # 9.7E-29 ^ -5.6 &\n 9.3E-12 ^ -1.5;\n PAN = ACO3 + NO2 # 9.00E-29 @ -14000.0\n *E;\n RCO3 + NO2 = PPN # 9.7E-29 ^ -5.6 &\n 9.3E-12 ^ -1.5;\n PPN = RCO3 + NO2 # 9.00E-29 @ -14000.0\n *E; \n MACP + NO2 = MPAN # 2.80E-12 @ -181.; \n MPAN = MACP + NO2 # 1.60E+16 @ 13486.; \n MO2 + NO = HO2 + NO2 \n + HCHO # 2.80E-12 @ -300.;\n ETHP + NO = HO2 + NO2\n + ACD # 2.6E-12 @ -365.;\n HC3P + NO = 0.660*HO2 + 0.131*MO2\n + 0.048*ETHP\n + 0.089*XO2\n + 0.935*NO2 \n + 0.504*ACD \n + 0.132*ALD \n + 0.165*ACT\n + 0.042*MEK\n + 0.065*ONIT # 4.0E-12;\n HC5P + NO = 0.200*HO2 + 0.051*MO2\n + 0.231*ETHP\n + 0.235*XO2\n + 0.864*NO2\n + 0.018*HCHO\n + 0.045*ACD\n + 0.203*ALD \n + 0.033*MEK\n + 0.217*ACT \n + 0.033*KET\n + 0.272*HKET \n + 0.136*ONIT # 4.0E-12;\n HC8P + NO = 0.606*HO2 + 0.133*ETHP \n + 0.416*XO2\n + 0.739*NO2\n + 0.150*ALD\n + 0.642*KET \n + 0.261*ONIT # 4.00E-12;\n ETEP + NO = HO2 + NO2 \n + 1.6*HCHO \n + 0.2*ALD # 9.0E-12;\n OLTP + NO = 0.78*HO2 + 0.97*NO2 \n + 0.78*HCHO \n + 0.012*ACD \n + 0.44*ALD \n + 0.06*ACT \n + 0.13*MEK \n + 0.03*ONIT # 4.00E-12;\n OLIP + NO = 0.83*HO2 + 0.95*NO2 \n + 0.81*ACD\n + 0.68*ALD \n + 0.20*ACT \n + 0.09*KET \n + 0.02*HKET \n + 0.05*ONIT # 4.00E-12;\n BENP + NO = 0.918*HO2 + 0.918*NO2\n + 0.459*DCB2\n + 0.459*DCB3\n + 0.918*GLY\n + 0.082*ONIT # 2.54E-12 @ -360.;\n TLP1 + NO = NO2 + BALD # 4.0E-12;\n TOLP + NO = 0.95*HO2 + 0.95*NO2\n + 0.95*DCB2\n + 0.05*ONIT # 2.7E-12 @ -360.; \n PER1 + NO = 0.50*HO2 + 0.95*NO2 \n + 0.50*BALD \n + 0.50*MGLY \n + 0.50*DCB1 \n + 0.05*ONIT # 2.70E-12 @ -360.;\n XYL1 + NO = NO2 + BALD # 4.0E-12;\n XYLP + NO = 0.95*HO2 + 0.95*NO2\n + 0.95*DCB3\n + 0.05*ONIT # 2.7E-12 @ -360.;\n PER2 + NO = 0.95*HO2 + 0.95*NO2 \n + 0.95*MGLY \n + 0.95*DCB1 \n + 1.05*DCB3 \n + 0.05*ONIT # 2.70E-12 @ -360.;\n XYOP + NO = 0.95*HO2 + 0.95*NO2\n + 0.350*GLY\n + 0.600*MGLY\n + 0.700*DCB1\n + 0.073*DCB2\n + 0.177*DCB3\n + 0.05*ONIT # 2.7E-12 @ -360.;\n ISOP + NO = 0.880*HO2 + 0.880*NO2\n + 0.200*HCHO\n + 0.280*MACR\n + 0.440*MVK \n + 0.120*ISON\n + 0.021*GLY\n + 0.029*HKET\n + 0.027*ALD # 2.43E-12 @ -360.;\n APIP + NO = 0.82*HO2 + 0.82*NO2 \n + 0.23*HCHO\n + 0.43*ALD \n + 0.11*ACT\n + 0.44*KET\n + 0.07*ORA1 \n + 0.18*ONIT # 4.0E-12;\n LIMP + NO = 1.00*HO2 + 0.68*UALD\n + 0.43*HCHO\n + 0.07*ORA1\n + 1.00*NO2\n + 0.05*OLI # 4.0E-12;\n ACO3 + NO = MO2 + NO2 # 8.1E-12 @ -270.;\n RCO3 + NO = ETHP + NO2 # 8.1E-12 @ -270.;\n ACTP + NO = ACO3 + NO2\n + HCHO # 2.9E-12 @ -300.;\n MEKP + NO = 0.67*HO2 + NO2 \n + 0.33*HCHO \n + 0.67*DCB1 # 4.0E-12;\n KETP + NO = 0.77*HO2 + 0.23*ACO3\n + 0.16*XO2\n + NO2\n + 0.46*ALD\n + 0.54*MGLY # 4.0E-12;\n MACP + NO = 0.65*MO2 + 0.35*ACO3\n + NO2\n + 0.65*CO\n + 0.65*HCHO # 2.54E-12 @ -360.;\n MCP + NO = NO2 + 0.50*HO2\n + 0.50*HCHO\n + HKET # 2.54E-12 @ -360.;\n MVKP + NO = 0.3*HO2 + 0.7*ACO3 \n + 0.7*XO2\n + NO2\n + 0.3*HCHO\n + 0.7*ALD \n + 0.3*MGLY # 2.54E-12 @ -360.;\n UALP + NO = HO2 + NO2\n + 0.61*CO\n + 0.03*HCHO\n + 0.27*ALD\n + 0.18*GLY\n + 0.7*KET\n + 0.21*MGLY # 2.54E-12 @ -360.;\n BALP + NO = BAL1 + NO2 # 4.0E-12;\n BAL1 + NO = BAL2 + NO2 # 4.0E-12;\n ADDC + NO = HO2 + NO2\n + 0.32*HKET \n + 0.68*GLY\n + 0.68*OP2 # 2.7E-12 @ -360.;\n MCTP + NO = MCTO + NO2 # 2.7E-12 @ -360.;\n ORAP + NO = NO2 + GLY\n + HO2 # 4.0E-12;\n OLNN + NO = NO2 + HO2\n + ONIT # 4.0E-12;\n OLND + NO = 2.00*NO2 + 0.287*HCHO\n + 1.24*ALD \n + 0.464*KET # 4.0E-12;\n ADCN + NO = 2.0*NO2 + GLY \n + OP2 # 2.7E-12 @ -360.;\n XO2 + NO = NO2 # 4.0E-12;\n BAL2 + NO2 = ONIT # 2.0E-11;\n CHO + NO2 = ONIT # 2.0E-11;\n MCTO + NO2 = ONIT # 2.08E-12;\n MO2 + HO2 = OP1 # 4.1E-13 @ -750.;\n ETHP + HO2 = OP2 # 7.5E-13 @ -700.;\n HC3P + HO2 = OP2 # 1.66E-13 @ -1300.;\n HC5P + HO2 = OP2 # 1.66E-13 @ -1300.;\n HC8P + HO2 = OP2 # 1.66E-13 @ -1300.;\n ETEP + HO2 = OP2 # 1.90E-13 @ -1300.; \n OLTP + HO2 = OP2 # 1.66E-13 @ -1300.;\n OLIP + HO2 = OP2 # 1.66E-13 @ -1300.;\n BENP + HO2 = OP2 # 2.91E-13 @ -1300.;\n TLP1 + HO2 = OP2 # 3.75E-13 @ -980.;\n TOLP + HO2 = OP2 # 3.75E-13 @ -980.;\n PER1 + HO2 = OP2 # 3.75E-13 @ -980.;\n XYL1 + HO2 = OP2 # 3.75E-13 @ -980.;\n XYLP + HO2 = OP2 # 3.75E-13 @ -980.;\n PER2 + HO2 = OP2 # 3.75E-13 @ -980.;\n XYOP + HO2 = OP2 # 3.75E-13 @ -980.;\n ISOP + HO2 = ISHP # 2.05E-13 @ -1300.;\n APIP + HO2 = OP2 # 1.5E-11;\n LIMP + HO2 = OP2 # 1.5E-11;\n ACO3 + HO2 = 0.44*HO + 0.44*MO2\n + 0.15*ORA2\n + 0.41*PAA # 4.3E-13 @ -1040.;\n RCO3 + HO2 = 0.44*HO + 0.44*ETHP\n + 0.15*ORA2\n + 0.41*PAA # 4.3E-13 @ -1040.;\n ACTP + HO2 = 0.150*HO + 0.150*ACO3 \n + 0.150*HCHO\n + 0.850*OP2 # 1.15E-13 @ -1300.;\n MEKP + HO2 = OP2 # 1.15E-13 @ -1300.;\n KETP + HO2 = OP2 # 1.15E-13 @ -1300.;\n MACP + HO2 = MAHP # 1.82E-13 @ -1300.;\n MCP + HO2 = MAHP # 1.82E-13 @ -1300.;\n MVKP + HO2 = OP2 # 2.91E-13 @ -1300.;\n UALP + HO2 = OP2 # 2.91E-13 @ -1300.;\n ADDC + HO2 = OP2 # 3.75E-13 @ -980.;\n CHO + HO2 = CSL # 1.00E-11;\n MCTP + HO2 = OP2 # 3.75E-13 @ -980.;\n ORAP + HO2 = OP2 # 1.15E-13 @ -1300.;\n OLNN + HO2 = ONIT # 1.66E-13 @ -1300.; \n OLND + HO2 = ONIT # 1.66E-13 @ -1300.;\n ADCN + HO2 = OP2 # 3.75E-13 @ -980.;\n XO2 + HO2 = OP2 # 1.66E-13 @ -1300.;\n MO2 + MO2 = 0.74*HO2 + 1.37*HCHO\n + 0.63*MOH # 9.5E-14 @ -390.;\n ETHP + MO2 = HO2 + 0.75*HCHO \n + 0.75*ACD\n + 0.250*MOH\n + 0.250*EOH # 1.18E-13 @ -158.;\n HC3P + MO2 = 0.894*HO2 + 0.080*MO2\n + 0.026*ETHP\n + 0.026*XO2\n + 0.827*HCHO\n + 0.198*ALD\n + 0.497*KET\n + 0.050*GLY\n + 0.250*MOH\n + 0.250*ROH # 9.46E-14 @ -431.;\n HC5P + MO2 = 0.842*HO2 + 0.018*MO2\n + 0.140*ETHP\n + 0.191*XO2\n + 0.777*HCHO\n + 0.251*ALD\n + 0.618*KET\n + 0.250*MOH\n + 0.250*ROH # 1.0E-13 @ -467.;\n HC8P + MO2 = 0.910*HO2 + 0.090*ETHP \n + 0.281*XO2\n + 0.750*HCHO \n + 0.197*ALD\n + 0.652*KET\n + 0.250*MOH\n + 0.250*ROH # 4.34E-14 @ -633.;\n ETEP + MO2 = HO2 + 1.95*HCHO \n + 0.15*ALD\n + 0.250*MOH\n + 0.250*ETEG # 1.71E-13 @ -708.;\n OLTP + MO2 = HO2 + 1.50*HCHO\n + 0.705*ALD\n + 0.045*KET\n + 0.250*MOH\n + 0.250*ROH # 1.46E-13 @ -708.;\n OLIP + MO2 = HO2 + 0.750*HCHO \n + 1.28*ALD\n + 0.218*KET\n + 0.250*MOH\n + 0.250*ROH # 9.18E-14 @ -708.;\n BENP + MO2 = 1.60*HO2 + 0.459*DCB3 \n + HCHO \n + 0.459*DCB2 \n + 0.600*GLY # 3.56E-14 @ -708.;\n TLP1 + MO2 = HO2 + HCHO\n + BALD # 3.56E-14 @ -708.; \n TOLP + MO2 = 2.0*HO2 + HCHO \n + 0.271*GLY\n + DCB2 # 3.56E-14 @ -708.;\n PER1 + MO2 = 2.0*HO2 + HCHO \n + MGLY\n + DCB1 # 3.56E-14 @ -708.;\n XYL1 + MO2 = HO2 + HCHO\n + BALD # 3.56E-14 @ -708.;\n XYLP + MO2 = 2.0*HO2 + HCHO \n + DCB2 # 3.56E-14 @ -708.;\n PER2 + MO2 = 2.0*HO2 + HCHO\n + MGLY\n + DCB1\n + 1.05*DCB3 # 3.56E-14 @ -708.;\n XYOP + MO2 = 2.0*HO2 + HCHO\n + 0.368*GLY\n + 0.632*MGLY\n + 0.737*DCB1\n + 0.077*DCB2\n + 0.186*DCB3 # 3.56E-14 @ -708.;\n ISOP + MO2 = HO2 + 1.31*HCHO \n + 0.159*MACR\n + 0.250*MVK\n + 0.250*MOH\n + 0.250*ROH\n + 0.023*ALD\n + 0.018*GLY\n + 0.016*HKET # 3.4E-14 @ -221.;\n APIP + MO2 = HO2 + 0.750*HCHO \n + 0.750*ALD \n + 0.750*KET\n + 0.250*MOH\n + 0.250*ROH # 3.56E-14 @ -708.;\n LIMP + MO2 = HO2 + 1.04*HCHO \n + 0.192*OLI\n + 0.308*MACR \n + 0.250*MOH\n + 0.250*ROH # 3.56E-14 @ -708.;\n ACO3 + MO2 = 0.9*HO2 + 0.9*MO2\n + HCHO \n + 0.1*ORA2 # 2.0E-11 @ -500.;\n RCO3 + MO2 = 0.9*HO2 + 0.9*MO2\n + HCHO \n + 0.1*ORA2 # 2.0E-11 @ -500.;\n ACTP + MO2 = 0.50*HO2 + 0.50*ACO3\n + 1.50*HCHO\n + 0.25*MOH\n + 0.25*ROH \n + 0.125*ORA2 # 7.5E-13 @ -500.;\n MEKP + MO2 = 0.834*HO2 + HCHO \n + 0.334*DCB1 \n + 0.25*MOH\n + 0.25*ROH # 6.91E-13 @ -508.;\n KETP + MO2 = HO2 + 0.75*HCHO \n + 0.50*DCB1 \n + 0.25*MOH\n + 0.25*ROH # 6.91E-13 @ -508.; \n MACP + MO2 = 0.50*HO2 + 0.269*ACO3\n + 0.500*CO\n + 1.66*HCHO \n + 0.067*ORA2\n + 0.250*MO2\n + 0.250*MOH\n + 0.250*ROH # 3.4E-14 @ -221.;\n MCP + MO2 = NO2 + HO2\n + 1.50*HCHO \n + 0.50*HKET\n + 0.250*MOH\n + 0.250*ROH # 3.4E-14 @ -221.; \n MVKP + MO2 = HO2 + 1.16*ACO3\n + 1.16*XO2\n + 1.5*HCHO \n + 1.75*ALD\n + 0.500*MGLY\n + 0.250*MOH\n + 0.250*ROH \n + 0.292*ORA2 # 8.37E-14;\n UALP + MO2 = HO2 + 0.305*CO \n + 0.773*HCHO \n + 0.203*ALD\n + 0.525*KET\n + 0.135*GLY\n + 0.105*MGLY\n + 0.250*MOH\n + 0.250*ROH # 3.4E-14 @ -221.;\n BALP + MO2 = HO2 + BAL1 \n + HCHO # 3.56E-14 @ -708.;\n BAL1 + MO2 = HO2 + BAL2 \n + HCHO # 3.56E-14 @ -708.;\n ADDC + MO2 = 2.0*HO2 + HCHO \n + 0.32*HKET\n + 0.68*GLY\n + 0.68*OP2 # 3.56E-14 @ -708.;\n MCTP + MO2 = HO2 + MCTO \n + HCHO # 3.56E-14 @ -708.;\n ORAP + MO2 = HCHO + HO2\n + GLY # 7.50E-13 @ -500.;\n OLNN + MO2 = 2.00*HO2 + HCHO\n + ONIT # 1.6E-13 @ -708.;\n OLND + MO2 = 0.500*HO2 + 0.500*NO2 \n + 0.965*HCHO \n + 0.930*ALD\n + 0.348*KET\n + 0.250*MOH\n + 0.250*ROH\n + 0.500*ONIT # 9.68E-14 @ -708.;\n ADCN + MO2 = HO2 + 0.7*NO2\n + HCHO \n + 0.7*GLY\n + 0.7*OP2\n + 0.3*ONIT # 3.56E-14;\n XO2 + MO2 = HO2 + HCHO # 5.99E-15 @ -1510.;\n ETHP + ACO3 = 0.500*HO2 + 0.5*MO2 \n + ACD \n + 0.5*ORA2 # 1.03E-12 @ -211.;\n HC3P + ACO3 = 0.394*HO2 + 0.580*MO2\n + 0.026*ETHP\n + 0.026*XO2\n + 0.130*HCHO\n + 0.273*ALD \n + 0.662*KET\n + 0.067*GLY\n + 0.500*ORA2 # 6.9E-13 @ -460.;\n HC5P + ACO3 = 0.342*HO2 + 0.518*MO2\n + 0.140*ETHP\n + 0.191*XO2 \n + 0.042*HCHO\n + 0.381*ALD \n + 0.824*KET\n + 0.500*ORA2 # 5.59E-13 @ -522.;\n HC8P + ACO3 = 0.303*HO2 + 0.500*MO2 \n + 0.067*ETHP\n + 0.208*XO2\n + 0.217*ALD \n + 0.642*KET \n + 0.495*ORA2 # 2.47E-13 @ -683.;\n ETEP + ACO3 = 0.5*HO2 + 0.5*MO2 \n + 1.6*HCHO \n + 0.2*ALD \n + 0.5*ORA2 # 9.48E-13 @ -765.; \n OLTP + ACO3 = 0.500*HO2 + 0.500*MO2 \n + HCHO \n + 0.940*ALD \n + 0.060*KET\n + 0.500*ORA2 # 8.11E-13 @ -765.;\n OLIP + ACO3 = 0.500*HO2 + 0.500*MO2 \n + 1.71*ALD \n + 0.290*KET\n + 0.500*ORA2 # 5.09E-13 @ -765.;\n BENP + ACO3 = 0.60*HO2 + MO2\n + 0.459*DCB2 \n + 0.458*DCB3\n + 0.600*GLY # 7.4E-13 @ -765.;\n TLP1 + ACO3 = MO2 + BALD # 7.4E-13 @ -765.;\n TOLP + ACO3 = HO2 + MO2\n + DCB2 # 7.4E-13 @ -765.;\n PER1 + ACO3 = HO2 + MO2\n + MGLY\n + DCB1 # 7.4E-13 @ -765.;\n XYL1 + ACO3 = MO2 + BALD # 7.4E-13 @ -765.;\n XYLP + ACO3 = HO2 + MO2\n + DCB2 # 7.4E-13 @ -765.;\n PER2 + ACO3 = HO2 + MO2\n + MGLY\n + DCB1 \n + 1.05*DCB3 # 7.4E-13 @ -765.;\n XYOP + ACO3 = HO2 + MO2\n + 0.368*GLY\n + 0.632*MGLY\n + 0.737*DCB1\n + 0.077*DCB2\n + 0.186*DCB3 # 7.4E-13 @ -765.;\n ISOP + ACO3 = 0.5*HO2 + 0.5*MO2\n + 1.048*HCHO\n + 0.219*MACR\n + 0.305*MVK \n + 0.5*ORA2 # 8.4E-14 @ -221.;\n APIP + ACO3 = 0.5*HO2 + 0.5*MO2 \n + ALD \n + KET\n + ORA2 # 7.4E-13 @ -765.;\n LIMP + ACO3 = 0.5*HO2 + 0.5*MO2 \n + 0.192*OLI\n + 0.385*HCHO\n + 0.308*MACR \n + 0.5*ORA2 # 7.4E-13 @ -765.;\n ACO3 + ACO3 = 2.0*MO2 # 2.5E-12 @ -500.;\n RCO3 + ACO3 = MO2 + ETHP # 2.5E-12 @ -500.;\n ACTP + ACO3 = 0.50*MO2 + 0.50*ACO3 \n + HCHO \n + 0.75*ORA2 # 7.51E-13 @ -565.;\n MEKP + ACO3 = 0.33*HO2 + 0.50*MO2 \n + 0.33*HCHO \n + 0.334*DCB1\n + 0.50*ORA2 # 7.51E-13 @ -565.;\n KETP + ACO3 = 0.50*HO2 + 0.50*MO2 \n + 0.50*DCB1 \n + 0.50*ORA2 # 7.51E-13 @ -565.;\n MACP + ACO3 = 0.635*ORA2 + 0.50*MO2\n + 0.269*ACO3\n + 0.500*CO\n + HCHO # 8.4E-14 @ -221.; \n MCP + ACO3 = NO2 + 0.50*HO2\n + HCHO\n + 0.5*HKET\n + 0.5*MO2\n + 0.5*ORA2 # 8.4E-14 @ -221.; \n MVKP + ACO3 = 0.5*HO2 + 0.5*MO2\n + 1.16*ACO3 \n + 1.16*XO2\n + HCHO\n + 2.3*ALD\n + 0.5*MGLY\n + 1.083*ORA2 # 1.68E-12 @ -500.;\n UALP + ACO3 = 0.5*HO2 + 0.5*MO2\n + 0.5*CO\n + 0.030*HCHO\n + 0.27*ALD\n + 0.7*KET\n + 0.18*GLY\n + 0.105*MGLY\n + 0.5*ORA2 # 1.68E-12 @ -500.;\n BALP + ACO3 = MO2 + BAL1 # 7.4E-13 @ -765.;\n BAL1 + ACO3 = MO2 + BAL2 # 7.4E-13 @ -765.;\n ADDC + ACO3 = 2.00*HO2 + MO2\n + 0.32*HKET\n + 0.68*GLY\n + 0.68*OP2 # 7.4E-13 @ -708.;\n MCTP + ACO3 = HO2 + MO2 \n + MCTO # 7.4E-13 @ -708.;\n ORAP + ACO3 = MO2 + GLY # 7.51E-13 @ -565.;\n OLNN + ACO3 = HO2 + MO2 \n + ONIT # 8.85E-13 @ -765.;\n OLND + ACO3 = 0.500*MO2 + NO2 \n + 0.287*HCHO \n + 1.24*ALD \n + 0.464*KET\n + 0.500*ORA2 # 5.37E-13 @ -765.;\n ADCN + ACO3 = HO2 + MO2\n + 0.7*NO2\n + 0.7*GLY\n + 0.7*OP2\n + 0.3*ONIT # 7.4E-13 @ -708.;\n XO2 + ACO3 = MO2 # 3.4E-14 @ -1560.;\n RCO3 + RCO3 = 2.0*ETHP # 2.50E-12 @ -500.0;\n MO2 + NO3 = HO2 + HCHO\n + NO2 # 1.20E-12;\n ETHP + NO3 = HO2 + NO2 \n + ACD # 1.2E-12;\n HC3P + NO3 = 0.254*HO2 + 0.140*MO2 \n + 0.092*XO2 \n + 0.503*ETHP \n + NO2 \n + 0.519*ACD \n + 0.147*ALD \n + 0.075*MEK \n + 0.095*ACT # 1.20E-12;\n HC5P + NO3 = 0.488*HO2 + 0.055*MO2 \n + 0.280*ETHP \n + 0.485*XO2 \n + NO2 \n + 0.024*HCHO \n + 0.241*ALD \n + 0.060*KET \n + 0.063*MEK \n + 0.247*ACT \n + 0.048*ACD \n + 0.275*HKET # 1.20E-12;\n HC8P + NO3 = 0.820*HO2 + 0.180*ETHP \n + 0.563*XO2 \n + NO2\n + 0.203*ALD \n + 0.869*KET # 1.2E-12;\n ETEP + NO3 = HO2 + NO2\n + 1.6*HCHO \n + 0.2*ALD # 1.2E-12; \n OLTP + NO3 = 0.47*ALD + 0.79*HCHO \n + 0.79*HO2 \n + NO2 \n + 0.18*MEK \n + 0.02*ACD \n + 0.09*ACT # 1.20E-12; \n OLIP + NO3 = 0.86*HO2 + 0.72*ALD \n + 0.11*KET \n + NO2 \n + 0.20*ACT \n + 0.85*ACD \n + 0.04*HKET # 1.20E-12;\n BENP + NO3 = HO2 + NO2\n + 0.50*DCB2\n + 0.50*DCB3\n + GLY # 1.20E-12;\n TLP1 + NO3 = NO2 + BALD # 1.2E-12;\n TOLP + NO3 = HO2 + NO2\n + DCB2 # 1.2E-12; \n PER1 + NO3 = 0.50*HO2 + NO2\n + 0.50*MGLY\n + 0.50*DCB1\n + 0.50*BALD # 1.2E-12; \n XYL1 + NO3 = NO2 + BALD # 1.2E-12;\n XYLP + NO3 = HO2 + NO2\n + DCB3 # 1.2E-12;\n PER2 + NO3 = HO2 + NO2\n + MGLY\n + DCB1\n + 1.05*DCB3 # 1.2E-12;\n XYOP + NO3 = HO2 + NO2\n + 0.368*GLY\n + 0.632*MGLY\n + 0.737*DCB1\n + 0.077*DCB2\n + 0.186*DCB3 # 1.2E-12;\n ISOP + NO3 = HO2 + NO2 \n + 0.75*HCHO \n + 0.318*MACR \n + 0.500*MVK\n + 0.024*GLY\n + 0.033*HKET\n + 0.031*ALD # 1.2E-12;\n APIP + NO3 = HO2 + NO2\n + ALD \n + KET # 1.2E-12;\n LIMP + NO3 = HO2 + NO2\n + 0.385*OLI\n + 0.385*HCHO\n + 0.615*MACR # 1.2E-12;\n ACO3 + NO3 = MO2 + NO2 # 4.0E-12;\n RCO3 + NO3 = ETHP + NO2 # 4.0E-12;\n ACTP + NO3 = ACO3 + NO2\n + HCHO # 1.2E-12;\n MEKP + NO3 = 0.67*HO2 + NO2\n + 0.33*HCHO\n + 0.67*DCB1 # 1.2E-12;\n KETP + NO3 = HO2 + NO2 \n + DCB1 # 1.2E-12;\n MACP + NO3 = HCHO + 0.538*ACO3\n + CO\n + NO2 # 1.2E-12;\n MCP + NO3 = NO2 + HO2\n + HCHO\n + HKET # 1.2E-12;\n MVKP + NO3 = 0.30*HO2 + 0.70*ACO3 \n + 0.70*XO2 \n + NO2 \n + 0.30*HCHO\n + 0.70*ALD \n + 0.30*MGLY # 2.5E-12;\n UALP + NO3 = HO2 + NO2\n + 0.61*CO\n + 0.03*HCHO\n + 0.27*ALD\n + 0.7*KET\n + 0.18*GLY\n + 0.21*MGLY # 2.5E-12;\n BALP + NO3 = BAL1 + NO2 # 2.5E-12;\n BAL1 + NO3 = BAL2 + NO2 # 2.5E-12;\n ADDC + NO3 = HO2 + NO2\n + 0.32*HKET \n + 0.68*GLY\n + 0.68*OP2 # 1.2E-12;\n MCTP + NO3 = NO2 + MCTO # 1.2E-12;\n ORAP + NO3 = NO2 + GLY\n + HO2 # 1.2E-12;\n OLNN + NO3 = HO2 + NO2 \n + ONIT # 1.2E-12;\n OLND + NO3 = 2.00*NO2 + 0.287*HCHO\n + 1.24*ALD \n + 0.464*KET # 1.2E-12;\n ADCN + NO3 = 2.0*NO2 + GLY\n + OP2 # 1.2E-12;\n OLNN + OLNN = HO2 + 2.00*ONIT # 7.0E-14 @ -1000.;\n OLNN + OLND = 0.500*HO2 + 0.500*NO2 \n + 0.202*HCHO \n + 0.640*ALD \n + 0.149*KET\n + 1.50*ONIT # 4.25E-14 @ -1000.;\n OLND + OLND = NO2 + 0.504*HCHO\n + 1.21*ALD\n + 0.285*KET\n + ONIT # 2.96E-14 @ -1000.; \n XO2 + NO3 = NO2 # 1.2E-12;\n XO2 + RCO3 = ETHP # 2.5E-12 @ -500.;\n XO2 + XO2 = # 7.13E-17 @ -2950.;\n!\n! SOA related reactions \n TOLRO2 + NO = NO + TOLNRXN # 2.70e-12@-360;\n TOLRO2 + HO2 = HO2 + TOLHRXN # 1.90e-13@-1300;\n XYLRO2 + NO = NO + XYLNRXN # 2.70e-12@-360;\n XYLRO2 + HO2 = HO2 + XYLHRXN # 1.90e-13@-1300; \n BENZRO2 + NO = NO + BNZNRXN # 2.70e-12@-360;\n BENZRO2 + HO2 = HO2 + BNZHRXN # 1.90e-13@-1300;\n SESQ + O3 = O3 + SESQRXN # 1.16E-14;\n SESQ + HO = HO + SESQRXN # 1.97E-10;\n SESQ + NO3 = NO3 + SESQRXN # 1.90E-11;\n NAPH + HO = HO + PAHRO2 # 2.31E-11;\n PAHRO2 + NO = NO + PAHNRXN # 2.70e-12@-360;\n PAHRO2 + HO2 = HO2 + PAHHRXN # 1.90e-13@-1300; \n SOAALK + HO = HO + 0.47*ALKRXN # 2.70e-12@-374;\n IEPOX + HO = HO # 5.78E-11@400; \n\n\n! heteorogeneous reactions from hetchem and poaaging routines version 5.0.2\n\n N2O5 = 2.0*HNO3 # 1.0~;\n\n NO2 = 0.5*HONO + 0.5*HNO3 # 1.0~;\n\n! Simplified ozone loss from oceanic halogens excluding chlorine\n\n O3 = %H # 6.7006E-11@-10.7435 & 3.4153E-08@0.6713\n & 2.0E-6;\n\n IEPOX = AISO3J # 1.0~;\n\n! oligomerization reaction for secondary organic aerosols\n\n AXYL1J = 0.8571*AOLGAJ # 9.48816E-6;\n AXYL2J = 1.1429*AOLGAJ # 9.48816E-6;\n ATOL1J = 0.8571*AOLGAJ # 9.48816E-6;\n ATOL2J = 1.1429*AOLGAJ # 9.48816E-6;\n ABNZ1J = 0.7143*AOLGAJ # 9.48816E-6;\n ABNZ2J = 0.7143*AOLGAJ # 9.48816E-6;\n ATRP1J = 0.8*AOLGBJ # 9.48816E-6;\n ATRP2J = 0.9*AOLGBJ # 9.48816E-6;\n AISO1J = 0.50*AOLGBJ # 9.48816E-6;\n AISO2J = 0.50*AOLGBJ # 9.48816E-6;\n ASQTJ = 1.50*AOLGBJ # 9.48816E-6;\n APAH1J = 1.4286*AOLGAJ # 9.48816E-6;\n APAH2J = 1.4286*AOLGAJ # 9.48816E-6;\n AALK1J = 1.7143*AOLGAJ # 9.48816E-6;\n AALK2J = 1.7143*AOLGAJ # 9.48816E-6;\n\n!aging reactions for primary organic carbon\n APOCI + HO = 1.25*APNCOMI + APOCI + HO # 2.5E-12;\n APNCOMI + HO = HO # 1.0~;\n APOCJ + HO = 1.25*APNCOMJ + APOCJ + HO # 2.5E-12;\n APNCOMJ + HO = HO # 1.0~;\n\n! Formation of Potential Combustion SOA (pcSOA)\n PCVOC + HO = HO + PCSOARXN # 1.25E-11;\n\n! Aging with Func. and Frag. (Donahue et al. 2012)\n VLVPO1 + HO = HO \n + 0.4857 * VLVPO1 + 0.0062 * VSVPO1\n + 0.0025 * VSVPO2 + 0.0026 * VSVPO3\n + 0.0023 * VIVPO1 + 0.2944 * VLVOO1\n + 0.2021 * VLVOO2 + 0.0019 * VSVOO2\n + 0.0023 * VSVOO3 #4.0e-11;\n VSVPO1 + HO = HO \n + 0.3003 * VLVPO1 + 0.2862 * VSVPO1\n + 0.0041 * VSVPO2 + 0.0035 * VSVPO3\n + 0.2239 * VLVOO1 + 0.1820 * VLVOO2 #4.0e-11;\n VSVPO2 + HO = HO\n + 0.3856 * VLVPO1 + 0.0950 * VSVPO1\n + 0.1373 * VSVPO2 + 0.0005 * VSVPO3\n + 0.2051 * VLVOO1 + 0.1764 * VLVOO2 #4.0e-11;\n VSVPO3 + HO = HO \n + 0.2181 * VLVPO1 + 0.3063 * VSVPO1\n + 0.0153 * VSVPO2 + 0.1043 * VSVPO3\n + 0.1893 * VLVOO1 + 0.1668 * VLVOO2 #4.0e-11;\n VIVPO1 + HO = HO \n + 0.2412 * VLVPO1 + 0.2089 * VSVPO1\n + 0.3000 * VSVPO2 + 0.2028 * VLVOO1\n + 0.0471 * VLVOO2 #4.0e-11;\n VLVOO1 + HO = HO \n + 0.6664 * VLVOO1 + 0.0143 * VLVOO2\n + 0.0123 * VSVOO1 + 0.1239 * VSVOO2\n + 0.1831 * VSVOO3 #4.0e-11;\n VLVOO2 + HO = HO\n + 0.2858 * VLVOO1 + 0.3931 * VLVOO2\n + 0.0139 * VSVOO1 + 0.1027 * VSVOO2\n + 0.2045 * VSVOO3 #4.0e-11;\n VSVOO1 + HO = HO \n + 0.3303 * VLVOO1 + 0.2272 * VLVOO2\n + 0.2607 * VSVOO1 + 0.0702 * VSVOO2\n + 0.1116 * VSVOO3 #4.0e-11;\n VSVOO2 + HO = HO\n + 0.3444 * VLVOO1 + 0.2749 * VLVOO2\n + 0.0491 * VSVOO1 + 0.2577 * VSVOO2\n + 0.0739 * VSVOO3 #4.0e-11;\n VSVOO3 + HO = HO \n + 0.3886 * VLVOO1 + 0.2421 * VLVOO2\n + 0.0640 * VSVOO1 + 0.0385 * VSVOO2\n + 0.2667 * VSVOO3 #4.0e-11; \n\n\n\n\nEND MECH\n\nCONSTANTS\n ATM_AIR = 1.0E+06\n ATM_H2 = 0.56\n ATM_N2 = 0.7808E+06\n ATM_O2 = 0.2095E+06\n ATM_CH4 = 1.85\nEND CONSTANTS\n\n\n\n" }, { "path": "CCTM/src/MECHS/racm2_ae6_aq/pa_racm2_ae6_aq.ctl", "content": "! for racm2_ae6_aq\n!\n!=======================================================================\n! IPR_OUTPUTS\n!=======================================================================\nIPR_OUTPUT O3 = CHEM+DDEP+CLDS+AERO+TRNM;\nIPR_OUTPUT HNO3 = CHEM+DDEP+CLDS+AERO;\nIPR_OUTPUT PAN = CHEM+DDEP+CLDS+AERO+TRNM;\nIPR_OUTPUT N2O5 = CHEM+DDEP+CLDS+AERO;\n\nDEFINE FAMILY EC = AECI + AECJ;\nIPR_OUTPUT EC = COAG + EMIS + HADV;\nIPR_OUTPUT ASO4J = COND + COAG + EMIS + CHEM + VDIF + CLDS;\nIPR_OUTPUT ASO4I = NPF + COND + COAG + EMIS + CHEM + VDIF +CLDS;\nIPR_OUTPUT NUMATKN;\n!IPR_OUTPUT NUMACC;\n!IPR_OUTPUT NUMCOR;\n!\nENDPA;\n" }, { "path": "CCTM/src/MECHS/saprc07tc_ae6_aq/AE_saprc07tc_ae6_aq.nml", "content": "&AE_nml\n\nAE_SPECIES_DATA = \n \n!SPECIES ,MOLWT ,Aitken ,Accum ,Coarse ,OPTICS ,IC ,ICFAC ,BC ,BC_FAC ,DRYDEP SURR ,FAC ,WET-SCAV SURR ,FAC ,AE2AQ SURR ,TRNS ,DDEP ,WDEP ,CONC\n'ASO4' , 96.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'SO4' , 1 ,'SO4' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ANH4' , 18.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'NH4' , 1 ,'NH4' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ANO3' , 62.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'NO3' , 1 ,'NO3' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ANA' , 23.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'NA' , 1 ,'NA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ACL' , 35.50 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'CL' , 1 ,'CL' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AALK1' ,225.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AALK2' ,205.10 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AXYL1' ,174.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AXYL2' ,185.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AXYL3' ,218.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ATOL1' ,163.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ATOL2' ,175.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ATOL3' ,194.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ABNZ1' ,161.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ABNZ2' ,134.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ABNZ3' ,180.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'APAH1' ,195.60 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'APAH2' ,178.70 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'APAH3' ,212.20 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ATRP1' ,177.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ATRP2' ,198.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes', \n'AISO1' ,132.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AISO2' ,133.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASQT' ,273.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AORGC' ,177.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'AORGC' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AEC' , 12.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'EC' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AOTHR' ,200.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'PRI' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AFE' , 55.80 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'FE' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AAL' , 27.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'PRI' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASI' , 28.10 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'PRI' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ATI' , 47.90 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'PRI' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ACA' , 40.10 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'CA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMG' , 24.30 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'MG' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AK' , 39.10 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'K' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMN' , 54.90 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'MN' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ACORS' ,100.00 ,F ,F ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'ANTH' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASOIL' ,100.00 ,F ,F ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'SOIL' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'NUM' , 1.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VNUM' , 1 ,'NUM' , 1 ,'NUM' ,'Yes' ,'' ,'' ,'Yes',\n'SRF' , 1.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VSRF' , 1 ,'SRF' , 1 ,'SRF' ,'Yes' ,'' ,'' ,'Yes',\n'AORGH2O' , 18.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'H2O' , 1 ,'H2O' ,'Yes' ,'' ,'' ,'Yes',\n'AH2O' , 18.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'H2O' , 1 ,'H2O' ,'Yes' ,'' ,'' ,'Yes',\n'AH3OP' , 19.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'' ,-1 ,'' ,'Yes' ,'' ,'' ,'Yes',\n'ASEACAT' , 23.75 ,F ,F ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'SEAS' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AISO3' ,168.20 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AOLGA' ,206.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AOLGB' ,248.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'APOC' ,220.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes', \n'APNCOM' ,220.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes', \n'APCSO' ,170.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ALVPO1' ,218.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASVPO1' ,230.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASVPO2' ,241.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASVPO3' ,253.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AIVPO1' ,266.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ALVOO1' ,136.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ALVOO2' ,136.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASVOO1' ,135.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASVOO2' ,135.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASVOO3' ,134.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n/\n" }, { "path": "CCTM/src/MECHS/saprc07tc_ae6_aq/CMAQ_Control_DESID_saprc07tc_ae6_aq.nml", "content": "!------------------------------------------------------------------------------!\n! Emission Control Interface !\n! for the !\n! Detailed Emissions Scaling, Isolation, and Diagnostics (DESID) Module, !\n! part of the !\n! Community Multiscale Air Quality (CMAQ) Model !\n! developed and maintained by the !\n! Center for Environmental Measurement and Modeling (CEMM), !\n! Office of Research and Development (ORD) !\n! U.S. Environmental Protection Agency (USEPA) !\n! !\n! This namelist is consistent with CMAQv5.4 (Release AUGUST 2022) !\n! !\n! See CMAQ User's Guide Appendix B (https://github.com/USEPA/CMAQ/blob/main/ !\n! DOCS/Users_Guide/Appendix/CMAQ_UG_appendixB_emissions_control.md) !\n! and Murphy et al., Geoscientific Model Development, 14, 3407-3420, !\n! https://doi.org/10.5194/gmd-14-3407-2021, 2021. !\n!------------------------------------------------------------------------------!\n\n!------------------------------------------------------------------------------!\n! Emissions Scaling Rule Specification Component !\n! Each rule is presented as a row of inputs. The syntax of the !\n! emissions scaling rules is the following: !\n! EM_INSTR(I) = 'Region Label', 'Stream Label', 'Emission-Species', !\n! 'CMAQ-Species', 'Phase/Mode', 'Scale Factor', 'Basis', !\n! 'Operation' !\n! !\n! See the User's Guide for detailed definitions of each field. !\n! !\n! You may confirm the effect of the (default and custom) rules below by !\n! inspecting the processor-dependent log files (\"CTM_LOG_XXX...\") !\n! !\n! Note: If no rules are provided for a species, then there is no emission !\n! of that species. !\n!------------------------------------------------------------------------------!\n&Desid_ScalingVars\n Desid_Max_Rules = 2000\n/\n\n&Desid_Scaling\n Desid_Rules_nml =\n\n ! Region | Stream Label |Emission | CMAQ- |Phase/|Scale |Basis |Op \n ! Label | |Species | Species |Mode |Factor| | \n \n ! Gases \n 'EVERYWHERE', 'ALL' ,'NO2' ,'NO2' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'NO' ,'NO' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'HONO' ,'HONO' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'CO' ,'CO' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'SO2' ,'SO2' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'NH3' ,'NH3' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'HCHO' ,'HCHO' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'MEOH' ,'MEOH' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'AACD' ,'CCOOH' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'CCOOH' ,'CCOOH' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PACD' ,'RCOOH' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'RNO3' ,'RNO3' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ACET' ,'ACETONE' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ACETONE' ,'ACETONE' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'CRES' ,'CRES' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'CCHO' ,'CCHO' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'RCHO' ,'RCHO' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'MEK' ,'MEK' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'FACD' ,'HCOOH' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'HCOOH' ,'HCOOH' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PRD2' ,'PRD2' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'MGLY' ,'MGLY' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'IPRD' ,'IPRD' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'GLY' ,'GLY' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'BACL' ,'BACL' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'BALD' ,'BALD' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'MACR' ,'MACR' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'MVK' ,'MVK' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ACRO' ,'ACROLEIN' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ACROLEIN' ,'ACROLEIN' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ETHE' ,'ETHENE' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ETHENE' ,'ETHENE' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PRPE' ,'PROPENE' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PROPENE' ,'PROPENE' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'BDE13' ,'BUTADIENE13' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ISOP' ,'ISOPRENE' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ISOPRENE' ,'ISOPRENE' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'APIN' ,'APIN' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ACYE' ,'ACETYLENE' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'BENZ' ,'BENZENE' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'TOLU' ,'TOLUENE' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'MXYL' ,'MXYL' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'OXYL' ,'OXYL' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PXYL' ,'PXYL' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'B124' ,'TMBENZ124' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ETOH' ,'ETOH' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ALK1' ,'ALK1' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ALK2' ,'ALK2' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ALK3' ,'ALK3' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ALK4' ,'ALK4' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ALK5' ,'ALK5' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'SOAALK' ,'SOAALK' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'OLE1' ,'OLE1' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'OLE2' ,'OLE2' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ARO1' ,'ARO1' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ARO2MN' ,'ARO2MN' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'NAPHTHALENE','NAPHTHAL' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'TERP' ,'TERP' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'SESQ' ,'SESQ' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'CL2' ,'CL2' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'HCL' ,'HCL' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'HCHO' ,'HCHO_PRIMARY','GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'CCHO' ,'CCHO_PRIMARY','GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ACRO' ,'ACRO_PRIMARY','GAS' ,1. ,'UNIT','a', \n\n ! Fine-Mode Aerosols\n 'EVERYWHERE', 'ALL' ,'SULF' ,'ASO4' ,'FINE' ,1. ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PSO4' ,'ASO4' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PNH4' ,'ANH4' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PNO3' ,'ANO3' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PCL' ,'ACL' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PNA' ,'ANA' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PEC' ,'AEC' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMOTHR' ,'AOTHR' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PFE' ,'AFE' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PAL' ,'AAL' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PSI' ,'ASI' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PTI' ,'ATI' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PCA' ,'ACA' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMG' ,'AMG' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PK' ,'AK' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMN' ,'AMN' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PH2O' ,'AH2O' ,'FINE' ,1. ,'UNIT','a', \n \n ! Coarse-Mode Inorganic Ions Scaling \n 'EVERYWHERE', 'ALL' ,'PMC' ,'ACORS' ,'COARSE',0.99675,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMC' ,'ASO4' ,'COARSE',0.001 ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMC' ,'ANO3' ,'COARSE',0.00048,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMC' ,'ACL' ,'COARSE',0.00145,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMC' ,'AH2O' ,'COARSE',0.00032,'UNIT','a', \n\n ! Fine-Mode Primary Organic Aerosol Scaling\n ! --> Nonvolatile POA\n 'EVERYWHERE', 'ALL' ,'POC' ,'APOC' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'APNCOM' ,'FINE',0. ,'MASS','a', \n ! --> Semivolatile POA (see CMAQ User's Guide Appendix B.2.2.1)\n 'EVERYWHERE', 'ALL' ,'POC' ,'VSVPO1' ,'GAS' ,0.045,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'VSVPO1' ,'GAS' ,0.045,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'POC' ,'VSVPO2' ,'GAS' ,0.14 ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'VSVPO2' ,'GAS' ,0.14 ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'POC' ,'VSVPO3' ,'GAS' ,0.18 ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'VSVPO3' ,'GAS' ,0.18 ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'POC' ,'VIVPO1' ,'GAS' ,0.50 ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'VIVPO1' ,'GAS' ,0.50 ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'POC' ,'ALVPO1' ,'FINE',0.09 ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'ALVPO1' ,'FINE',0.09 ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'POC' ,'ASVPO1' ,'FINE',0.045,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'ASVPO1' ,'FINE',0.045,'MASS','a', \n \n ! pcSOA is a CMAQ species introduced to account for missing pathways for SOA\n ! formation from combustion sources. It accounts for IVOC oxidation as well as \n ! other phenomena (Murphy et al., ACP, 2017). It was parameterized based on data\n ! primarily from Los Angeles, where vehicle exhaust continues to dominate.\n 'EVERYWHERE', 'ALL' ,'POC' ,'PCVOC' ,'GAS' ,6.579,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'PCVOC' ,'GAS' ,6.579,'MASS','a', \n\n ! However, the added pcSOA is probably inappropriate for Fire sources, especially\n ! in its current configuration. This pathway should be zeroed out for all fire\n ! and wood-burning related sources.\n 'EVERYWHERE', 'PT_FIRES' ,'ALL' ,'PCVOC' ,'GAS' ,0.0 ,'MASS','o', \n 'EVERYWHERE', 'PT_RXFIRES' ,'ALL' ,'PCVOC' ,'GAS' ,0.0 ,'MASS','o', \n 'EVERYWHERE', 'PT_AGFIRES' ,'ALL' ,'PCVOC' ,'GAS' ,0.0 ,'MASS','o', \n 'EVERYWHERE', 'PT_OTHFIRES' ,'ALL' ,'PCVOC' ,'GAS' ,0.0 ,'MASS','o', \n 'EVERYWHERE', 'PT_FIRES_MXCA','ALL' ,'PCVOC' ,'GAS' ,0.0 ,'MASS','o', \n 'EVERYWHERE', 'GR_RES_FIRES' ,'ALL' ,'PCVOC' ,'GAS' ,0.0 ,'MASS','o', \n \n ! Wind-Blown Dust and Sea Spray Scaling\n ! Fine Components\n 'EVERYWHERE', 'ALL' ,'PMFINE_LVPO1','ALVPO1' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_LVOO1','ALVOO1' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_SO4' ,'ASO4' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_NO3' ,'ANO3' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_CL' ,'ACL' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_NH4' ,'ANH4' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_NA' ,'ANA' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_CA' ,'ACA' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_MG' ,'AMG' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_K' ,'AK' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_FE' ,'AFE' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_AL' ,'AAL' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_SI' ,'ASI' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_TI' ,'ATI' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_MN' ,'AMN' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_H2O' ,'AH2O' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_OTHR' ,'AOTHR' ,'FINE',1. ,'UNIT','a', \n\n ! Wind-Blown Dust and Sea Spray Scaling\n ! Coarse Components \n 'EVERYWHERE', 'ALL' ,'PMCOARSE_SO4','ASO4' ,'COARSE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMCOARSE_NO3','ANO3' ,'COARSE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMCOARSE_CL' ,'ACL' ,'COARSE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMCOARSE_H2O','AH2O' ,'COARSE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMCOARSE_SOIL','ASOIL' ,'COARSE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMCOARSE_SEACAT','ASEACAT' ,'COARSE',1. ,'UNIT','a', \n \n/\n\n" }, { "path": "CCTM/src/MECHS/saprc07tc_ae6_aq/CSQY_DATA_saprc07tc_ae6_aq", "content": "Table for Mechanism = SAPRC07TC_AE6_AQ \nNPHOTAB = 38\n!Individual rates listed below:\nNO2_06 \nNO3NO_06 \nNO3NO2_6 \nO3O1D_06 \nO3O3P_06 \nHONO_06 \nHNO3 \nHNO4_06 \nH2O2 \nPAN \nHCHOR_06 \nHCHOM_06 \nCCHO_R \nC2CHO \nACET_06 \nMEK_06 \nCOOH \nGLY_07R \nGLY_07M \nMGLY_06 \nBACL_07 \nBALD_06 \nAFG1 \nMACR_06 \nMVK_06 \nIC3ONO2 \nHOCCHO_IUPAC \nACRO_09 \nPAA \nCL2 \nCLNO_06 \nCLONO \nCLNO2 \nCLONO2_1 \nCLONO2_2 \nHOCL_06 \nCLCCHO \nCLACET \nNTEMP = 6\n! I TEMP( I ) K\n 1 210.00\n 2 230.00\n 3 250.00\n 4 270.00\n 5 290.00\n 6 310.00\n! Wavelength and Photolysis Rate Parameters for CMAQ In-Line Photolysis\n! calculation . The values are determined by averaging technique over the below\n! number of wavelength bins. The technique employs an approach used by the FASTJX\n! versions 6 and 7.\n!References:\n! 1) Bian, H. S. and Prather, M. J.: Fast-J2: accurate simulation of stratospheric\n! photolysis in global chemical models, J. Atmos. Chem., 41, 281-296\n doi:10.1023/A:1014980619462, 2002.\n! 2) Hsu, J. and Prather, M. J.: Stratospheric variability and tropospheric ozone,\n! J. Geophys. Res., 114, D06102, doi:10.1029/2008JD010942, 2009.\n! 3) Prather, M. J.: Fast-JX versions and utilities, available at:\n! http://www.ess.uci.edu/researchgrp/prather/scholar_software/fast-jx\n! (last accessed: 24 January 2014), 2014.\n! Wave bands and Solar Flux\n! \nN_INLINE_BAND = 7\n! I, START_WL_BIN(nm), EFFECT_WL_BIN_(nm), END_WL_BIN_(nm), photon_flux(cm-2*s-1), \n 1, 291.000, 294.590, 298.300, 5.8828E+14, \n 2, 298.300, 303.151, 307.500, 7.6354E+14, \n 3, 307.500, 310.007, 312.500, 5.0412E+14, \n 4, 312.500, 316.434, 320.300, 8.9628E+14, \n 5, 320.300, 333.076, 345.000, 3.8537E+15, \n 6, 345.000, 381.997, 412.500, 1.5457E+16, \n 7, 412.500, 607.723, 850.000, 2.1307E+17, \n!... CS = absorption cross sections averaged over UCI Solar Flux\n!... QY = quantum yields averaged over UCI Solar Flux\n!... EQY = eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n!PHOTAB QUANTITY TEMP WBIN( 1) WBIN( 2) WBIN( 3) WBIN( 4) WBIN( 5) WBIN( 6) WBIN( 7)\nNO2_06 CS 210.000 1.063921E-19 1.489476E-19 1.911589E-19 2.368089E-19 3.715161E-19 5.867486E-19 1.216142E-20\nNO2_06 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 7.871307E-01 2.012091E-02\nNO2_06 CS 230.000 1.065452E-19 1.488762E-19 1.907597E-19 2.355477E-19 3.679235E-19 5.852241E-19 1.213006E-20\nNO2_06 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 7.871307E-01 2.012091E-02\nNO2_06 CS 250.000 1.068513E-19 1.487335E-19 1.899615E-19 2.330251E-19 3.607383E-19 5.821752E-19 1.206733E-20\nNO2_06 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 7.879280E-01 2.081692E-02\nNO2_06 CS 270.000 1.071574E-19 1.485908E-19 1.891632E-19 2.305026E-19 3.535530E-19 5.791262E-19 1.200460E-20\nNO2_06 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 7.959008E-01 2.777702E-02\nNO2_06 CS 290.000 1.074636E-19 1.484480E-19 1.883650E-19 2.279800E-19 3.463678E-19 5.760772E-19 1.194188E-20\nNO2_06 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 8.038736E-01 3.473711E-02\nNO2_06 CS 310.000 1.075248E-19 1.484195E-19 1.882053E-19 2.274755E-19 3.449308E-19 5.754674E-19 1.192933E-20\nNO2_06 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 8.070627E-01 3.752115E-02\nNO3NO_06 CS 210.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 5.262113E-21 1.613590E-18\nNO3NO_06 EQY 210.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 8.130509E-02\nNO3NO_06 CS 230.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.993950E-21 1.531360E-18\nNO3NO_06 EQY 230.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 8.048424E-02\nNO3NO_06 CS 250.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.713711E-21 1.445427E-18\nNO3NO_06 EQY 250.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 8.024673E-02\nNO3NO_06 CS 270.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.425707E-21 1.357113E-18\nNO3NO_06 EQY 270.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 8.000923E-02\nNO3NO_06 CS 290.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.133394E-21 1.267477E-18\nNO3NO_06 EQY 290.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 7.977173E-02\nNO3NO_06 CS 310.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 3.839497E-21 1.177355E-18\nNO3NO_06 EQY 310.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 7.967671E-02\nNO3NO2_6 CS 210.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 5.262113E-21 1.613590E-18\nNO3NO2_6 EQY 210.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00 5.942736E-01\nNO3NO2_6 CS 230.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.993950E-21 1.531360E-18\nNO3NO2_6 EQY 230.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00 6.050572E-01\nNO3NO2_6 CS 250.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.713711E-21 1.445427E-18\nNO3NO2_6 EQY 250.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00 6.142171E-01\nNO3NO2_6 CS 270.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.425707E-21 1.357113E-18\nNO3NO2_6 EQY 270.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00 6.233770E-01\nNO3NO2_6 CS 290.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.133394E-21 1.267477E-18\nNO3NO2_6 EQY 290.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00 6.325368E-01\nNO3NO2_6 CS 310.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 3.839497E-21 1.177355E-18\nNO3NO2_6 EQY 310.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00 6.362008E-01\nO3O1D_06 CS 210.000 7.688467E-19 2.422055E-19 8.920470E-20 3.650450E-20 4.746825E-21 6.139220E-23 1.666851E-21\nO3O1D_06 EQY 210.000 9.000000E-01 8.958209E-01 5.714505E-01 2.310225E-01 1.023619E-01 7.086942E-02 0.000000E+00\nO3O1D_06 CS 230.000 7.803585E-19 2.474376E-19 9.195177E-20 3.806528E-20 5.075878E-21 6.139220E-23 1.666851E-21\nO3O1D_06 EQY 230.000 9.000000E-01 8.958209E-01 5.714505E-01 2.310225E-01 1.023619E-01 7.086942E-02 0.000000E+00\nO3O1D_06 CS 250.000 7.995448E-19 2.561579E-19 9.653022E-20 4.066658E-20 5.624299E-21 6.139220E-23 1.666851E-21\nO3O1D_06 EQY 250.000 9.000000E-01 8.958209E-01 5.714505E-01 2.310225E-01 1.023619E-01 7.086942E-02 0.000000E+00\nO3O1D_06 CS 270.000 8.187311E-19 2.648782E-19 1.011087E-19 4.326788E-20 6.172721E-21 6.139220E-23 1.666851E-21\nO3O1D_06 EQY 270.000 9.000000E-01 8.958209E-01 5.714505E-01 2.310225E-01 1.023619E-01 7.086942E-02 0.000000E+00\nO3O1D_06 CS 290.000 8.379175E-19 2.735984E-19 1.056871E-19 4.586918E-20 6.721143E-21 6.139220E-23 1.666851E-21\nO3O1D_06 EQY 290.000 9.000000E-01 8.958209E-01 5.714505E-01 2.310225E-01 1.023619E-01 7.086942E-02 0.000000E+00\nO3O1D_06 CS 310.000 8.407954E-19 2.749065E-19 1.063739E-19 4.625938E-20 6.803406E-21 6.139220E-23 1.666851E-21\nO3O1D_06 EQY 310.000 9.000000E-01 8.958209E-01 5.714505E-01 2.310225E-01 1.023619E-01 7.086942E-02 0.000000E+00\nO3O3P_06 CS 210.000 7.688467E-19 2.422055E-19 8.920470E-20 3.650450E-20 4.746825E-21 6.139220E-23 1.666851E-21\nO3O3P_06 EQY 210.000 1.000000E-01 1.041791E-01 4.285495E-01 7.689775E-01 8.976381E-01 9.291306E-01 1.000000E+00\nO3O3P_06 CS 230.000 7.803585E-19 2.474376E-19 9.195177E-20 3.806528E-20 5.075878E-21 6.139220E-23 1.666851E-21\nO3O3P_06 EQY 230.000 1.000000E-01 1.041791E-01 4.285495E-01 7.689775E-01 8.976381E-01 9.291306E-01 1.000000E+00\nO3O3P_06 CS 250.000 7.995448E-19 2.561579E-19 9.653022E-20 4.066658E-20 5.624299E-21 6.139220E-23 1.666851E-21\nO3O3P_06 EQY 250.000 1.000000E-01 1.041791E-01 4.285495E-01 7.689775E-01 8.976381E-01 9.291306E-01 1.000000E+00\nO3O3P_06 CS 270.000 8.187311E-19 2.648782E-19 1.011087E-19 4.326788E-20 6.172721E-21 6.139220E-23 1.666851E-21\nO3O3P_06 EQY 270.000 1.000000E-01 1.041791E-01 4.285495E-01 7.689775E-01 8.976381E-01 9.291306E-01 1.000000E+00\nO3O3P_06 CS 290.000 8.379175E-19 2.735984E-19 1.056871E-19 4.586918E-20 6.721143E-21 6.139220E-23 1.666851E-21\nO3O3P_06 EQY 290.000 1.000000E-01 1.041791E-01 4.285495E-01 7.689775E-01 8.976381E-01 9.291306E-01 1.000000E+00\nO3O3P_06 CS 310.000 8.407954E-19 2.749065E-19 1.063739E-19 4.625938E-20 6.803406E-21 6.139220E-23 1.666851E-21\nO3O3P_06 EQY 310.000 1.000000E-01 1.041791E-01 4.285495E-01 7.689775E-01 8.976381E-01 9.291306E-01 1.000000E+00\nHONO_06 CS 210.000 5.486960E-21 9.335561E-21 1.881716E-20 3.188688E-20 9.007190E-20 6.903974E-20 0.000000E+00\nHONO_06 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHONO_06 CS 230.000 5.486960E-21 9.335561E-21 1.881716E-20 3.188688E-20 9.007190E-20 6.903974E-20 0.000000E+00\nHONO_06 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHONO_06 CS 250.000 5.486960E-21 9.335561E-21 1.881716E-20 3.188688E-20 9.007190E-20 6.903974E-20 0.000000E+00\nHONO_06 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHONO_06 CS 270.000 5.486960E-21 9.335561E-21 1.881716E-20 3.188688E-20 9.007190E-20 6.903974E-20 0.000000E+00\nHONO_06 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHONO_06 CS 290.000 5.486960E-21 9.335561E-21 1.881716E-20 3.188688E-20 9.007190E-20 6.903974E-20 0.000000E+00\nHONO_06 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHONO_06 CS 310.000 5.486960E-21 9.335561E-21 1.881716E-20 3.188688E-20 9.007190E-20 6.903974E-20 0.000000E+00\nHONO_06 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHNO3 CS 210.000 3.467455E-21 1.445160E-21 5.805415E-22 2.242891E-22 2.067990E-23 3.702586E-25 0.000000E+00\nHNO3 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHNO3 CS 230.000 3.652523E-21 1.547813E-21 6.324548E-22 2.505341E-22 2.500608E-23 3.741136E-25 0.000000E+00\nHNO3 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHNO3 CS 250.000 3.847468E-21 1.657759E-21 6.890104E-22 2.798501E-22 3.023729E-23 3.780088E-25 0.000000E+00\nHNO3 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHNO3 CS 270.000 4.052817E-21 1.775513E-21 7.506232E-22 3.125965E-22 3.656285E-23 3.819445E-25 0.000000E+00\nHNO3 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHNO3 CS 290.000 4.269127E-21 1.901633E-21 8.177456E-22 3.491748E-22 4.421170E-23 3.859212E-25 0.000000E+00\nHNO3 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHNO3 CS 310.000 4.496982E-21 2.036711E-21 8.908702E-22 3.900332E-22 5.346067E-23 3.899393E-25 0.000000E+00\nHNO3 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHNO4_06 CS 210.000 2.304384E-20 9.096075E-21 3.982238E-21 1.967965E-21 3.989911E-22 2.966497E-24 0.000000E+00\nHNO4_06 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.707375E-01 0.000000E+00\nHNO4_06 CS 230.000 2.352148E-20 9.427218E-21 4.199442E-21 2.111267E-21 4.526804E-22 4.112208E-24 0.000000E+00\nHNO4_06 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.707375E-01 0.000000E+00\nHNO4_06 CS 250.000 2.420943E-20 9.904153E-21 4.512274E-21 2.317659E-21 5.300073E-22 5.762332E-24 0.000000E+00\nHNO4_06 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.707375E-01 0.000000E+00\nHNO4_06 CS 270.000 2.513335E-20 1.054469E-20 4.932417E-21 2.594850E-21 6.338596E-22 7.978499E-24 0.000000E+00\nHNO4_06 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.707375E-01 0.000000E+00\nHNO4_06 CS 290.000 2.630871E-20 1.135955E-20 5.466901E-21 2.947478E-21 7.659752E-22 1.079779E-23 0.000000E+00\nHNO4_06 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.707375E-01 0.000000E+00\nHNO4_06 CS 310.000 2.774130E-20 1.235273E-20 6.118354E-21 3.377277E-21 9.270035E-22 1.423407E-23 0.000000E+00\nHNO4_06 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.707375E-01 0.000000E+00\nH2O2 CS 210.000 8.485594E-21 5.095013E-21 3.367998E-21 2.272897E-21 8.877982E-22 3.606273E-23 0.000000E+00\nH2O2 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nH2O2 CS 230.000 8.608173E-21 5.190514E-21 3.446407E-21 2.336332E-21 9.231624E-22 3.606273E-23 0.000000E+00\nH2O2 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nH2O2 CS 250.000 8.773683E-21 5.319463E-21 3.552278E-21 2.421983E-21 9.709122E-22 3.606273E-23 0.000000E+00\nH2O2 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nH2O2 CS 270.000 8.984030E-21 5.483344E-21 3.686830E-21 2.530838E-21 1.031598E-21 3.606273E-23 0.000000E+00\nH2O2 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nH2O2 CS 290.000 9.239086E-21 5.682058E-21 3.849979E-21 2.662829E-21 1.105182E-21 3.606273E-23 0.000000E+00\nH2O2 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nH2O2 CS 310.000 9.537050E-21 5.914203E-21 4.040577E-21 2.817027E-21 1.191145E-21 3.606273E-23 0.000000E+00\nH2O2 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nPAN CS 210.000 1.757257E-21 6.605769E-22 3.009928E-22 1.557563E-22 3.361570E-23 1.523437E-24 0.000000E+00\nPAN EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nPAN CS 230.000 2.059176E-21 7.858164E-22 3.614192E-22 1.889101E-22 4.220009E-23 1.539962E-24 0.000000E+00\nPAN EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nPAN CS 250.000 2.412968E-21 9.348001E-22 4.339766E-22 2.291210E-22 5.297667E-23 1.556667E-24 0.000000E+00\nPAN EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nPAN CS 270.000 2.827546E-21 1.112030E-21 5.211004E-22 2.778910E-22 6.650525E-23 1.573554E-24 0.000000E+00\nPAN EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nPAN CS 290.000 3.313354E-21 1.322861E-21 6.257149E-22 3.370421E-22 8.348861E-23 1.590623E-24 0.000000E+00\nPAN EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nPAN CS 310.000 3.882630E-21 1.573663E-21 7.513316E-22 4.087839E-22 1.048090E-22 1.607877E-24 0.000000E+00\nPAN EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHCHOR_06 CS 210.000 3.183384E-20 3.299331E-20 1.538393E-20 3.249087E-20 1.802330E-20 7.437772E-22 0.000000E+00\nHCHOR_06 EQY 210.000 6.832129E-01 7.261769E-01 7.198996E-01 6.861672E-01 3.074194E-01 0.000000E+00 0.000000E+00\nHCHOR_06 CS 230.000 3.180369E-20 3.299110E-20 1.537530E-20 3.251407E-20 1.803360E-20 7.432948E-22 0.000000E+00\nHCHOR_06 EQY 230.000 6.832129E-01 7.261769E-01 7.198996E-01 6.861672E-01 3.074194E-01 0.000000E+00 0.000000E+00\nHCHOR_06 CS 250.000 3.177353E-20 3.298890E-20 1.536667E-20 3.253727E-20 1.804389E-20 7.428123E-22 0.000000E+00\nHCHOR_06 EQY 250.000 6.832129E-01 7.261769E-01 7.198996E-01 6.861672E-01 3.074194E-01 0.000000E+00 0.000000E+00\nHCHOR_06 CS 270.000 3.174337E-20 3.298670E-20 1.535803E-20 3.256047E-20 1.805418E-20 7.423299E-22 0.000000E+00\nHCHOR_06 EQY 270.000 6.832129E-01 7.261769E-01 7.198996E-01 6.861672E-01 3.074194E-01 0.000000E+00 0.000000E+00\nHCHOR_06 CS 290.000 3.171321E-20 3.298450E-20 1.534940E-20 3.258367E-20 1.806448E-20 7.418475E-22 0.000000E+00\nHCHOR_06 EQY 290.000 6.832129E-01 7.261769E-01 7.198996E-01 6.861672E-01 3.074194E-01 0.000000E+00 0.000000E+00\nHCHOR_06 CS 310.000 3.169813E-20 3.298339E-20 1.534508E-20 3.259527E-20 1.806962E-20 7.416062E-22 0.000000E+00\nHCHOR_06 EQY 310.000 6.832129E-01 7.261769E-01 7.198996E-01 6.861672E-01 3.074194E-01 0.000000E+00 0.000000E+00\nHCHOM_06 CS 210.000 3.183384E-20 3.299331E-20 1.538393E-20 3.249087E-20 1.802330E-20 7.437772E-22 0.000000E+00\nHCHOM_06 EQY 210.000 2.982965E-01 2.727711E-01 2.802895E-01 3.142615E-01 5.277740E-01 2.118139E-01 0.000000E+00\nHCHOM_06 CS 230.000 3.180369E-20 3.299110E-20 1.537530E-20 3.251407E-20 1.803360E-20 7.432948E-22 0.000000E+00\nHCHOM_06 EQY 230.000 2.982965E-01 2.727711E-01 2.802895E-01 3.142615E-01 5.237901E-01 2.035690E-01 0.000000E+00\nHCHOM_06 CS 250.000 3.177353E-20 3.298890E-20 1.536667E-20 3.253727E-20 1.804389E-20 7.428123E-22 0.000000E+00\nHCHOM_06 EQY 250.000 2.982965E-01 2.727711E-01 2.802895E-01 3.142615E-01 5.155541E-01 1.885748E-01 0.000000E+00\nHCHOM_06 CS 270.000 3.174337E-20 3.298670E-20 1.535803E-20 3.256047E-20 1.805418E-20 7.423299E-22 0.000000E+00\nHCHOM_06 EQY 270.000 2.982965E-01 2.727711E-01 2.802895E-01 3.142615E-01 5.071009E-01 1.754809E-01 0.000000E+00\nHCHOM_06 CS 290.000 3.171321E-20 3.298450E-20 1.534940E-20 3.258367E-20 1.806448E-20 7.418475E-22 0.000000E+00\nHCHOM_06 EQY 290.000 2.982965E-01 2.727711E-01 2.802895E-01 3.142615E-01 4.984759E-01 1.639830E-01 0.000000E+00\nHCHOM_06 CS 310.000 3.169813E-20 3.298339E-20 1.534508E-20 3.259527E-20 1.806962E-20 7.416062E-22 0.000000E+00\nHCHOM_06 EQY 310.000 2.982965E-01 2.727711E-01 2.802895E-01 3.142615E-01 4.940919E-01 1.587278E-01 0.000000E+00\nCCHO_R CS 210.000 4.432586E-20 3.717937E-20 2.933103E-20 2.104728E-20 3.707365E-21 0.000000E+00 0.000000E+00\nCCHO_R EQY 210.000 4.849672E-01 3.934509E-01 2.877448E-01 1.584966E-01 4.676821E-02 0.000000E+00 0.000000E+00\nCCHO_R CS 230.000 4.432586E-20 3.717937E-20 2.933103E-20 2.104728E-20 3.707365E-21 0.000000E+00 0.000000E+00\nCCHO_R EQY 230.000 4.849672E-01 3.934509E-01 2.877448E-01 1.584966E-01 4.676821E-02 0.000000E+00 0.000000E+00\nCCHO_R CS 250.000 4.432586E-20 3.717937E-20 2.933103E-20 2.104728E-20 3.707365E-21 0.000000E+00 0.000000E+00\nCCHO_R EQY 250.000 4.849672E-01 3.934509E-01 2.877448E-01 1.584966E-01 4.676821E-02 0.000000E+00 0.000000E+00\nCCHO_R CS 270.000 4.432586E-20 3.717937E-20 2.933103E-20 2.104728E-20 3.707365E-21 0.000000E+00 0.000000E+00\nCCHO_R EQY 270.000 4.849672E-01 3.934509E-01 2.877448E-01 1.584966E-01 4.676821E-02 0.000000E+00 0.000000E+00\nCCHO_R CS 290.000 4.432586E-20 3.717937E-20 2.933103E-20 2.104728E-20 3.707365E-21 0.000000E+00 0.000000E+00\nCCHO_R EQY 290.000 4.849672E-01 3.934509E-01 2.877448E-01 1.584966E-01 4.676821E-02 0.000000E+00 0.000000E+00\nCCHO_R CS 310.000 4.432586E-20 3.717937E-20 2.933103E-20 2.104728E-20 3.707365E-21 0.000000E+00 0.000000E+00\nCCHO_R EQY 310.000 4.849672E-01 3.934509E-01 2.877448E-01 1.584966E-01 4.676821E-02 0.000000E+00 0.000000E+00\nC2CHO CS 210.000 3.094719E-20 4.634689E-20 3.579653E-20 2.441742E-20 5.808274E-21 0.000000E+00 0.000000E+00\nC2CHO EQY 210.000 7.737634E-01 6.423488E-01 3.555753E-01 1.949012E-01 5.686011E-02 0.000000E+00 0.000000E+00\nC2CHO CS 230.000 3.094719E-20 4.634689E-20 3.579653E-20 2.441742E-20 5.808274E-21 0.000000E+00 0.000000E+00\nC2CHO EQY 230.000 7.737634E-01 6.423488E-01 3.555753E-01 1.949012E-01 5.686011E-02 0.000000E+00 0.000000E+00\nC2CHO CS 250.000 3.094719E-20 4.634689E-20 3.579653E-20 2.441742E-20 5.808274E-21 0.000000E+00 0.000000E+00\nC2CHO EQY 250.000 7.737634E-01 6.423488E-01 3.555753E-01 1.949012E-01 5.686011E-02 0.000000E+00 0.000000E+00\nC2CHO CS 270.000 3.094719E-20 4.634689E-20 3.579653E-20 2.441742E-20 5.808274E-21 0.000000E+00 0.000000E+00\nC2CHO EQY 270.000 7.737634E-01 6.423488E-01 3.555753E-01 1.949012E-01 5.686011E-02 0.000000E+00 0.000000E+00\nC2CHO CS 290.000 3.094719E-20 4.634689E-20 3.579653E-20 2.441742E-20 5.808274E-21 0.000000E+00 0.000000E+00\nC2CHO EQY 290.000 7.737634E-01 6.423488E-01 3.555753E-01 1.949012E-01 5.686011E-02 0.000000E+00 0.000000E+00\nC2CHO CS 310.000 3.094719E-20 4.634689E-20 3.579653E-20 2.441742E-20 5.808274E-21 0.000000E+00 0.000000E+00\nC2CHO EQY 310.000 7.737634E-01 6.423488E-01 3.555753E-01 1.949012E-01 5.686011E-02 0.000000E+00 0.000000E+00\nACET_06 CS 210.000 3.093982E-20 1.932871E-20 1.074082E-20 5.401566E-21 4.431040E-22 8.028801E-25 0.000000E+00\nACET_06 EQY 210.000 3.078033E-01 9.119325E-02 1.255849E-02 1.979718E-03 4.580005E-05 2.815926E-03 0.000000E+00\nACET_06 CS 230.000 3.149499E-20 2.006286E-20 1.149978E-20 5.882838E-21 4.841855E-22 8.025005E-25 0.000000E+00\nACET_06 EQY 230.000 2.833035E-01 9.860657E-02 1.763791E-02 3.588362E-03 1.595251E-04 2.815926E-03 0.000000E+00\nACET_06 CS 250.000 3.221698E-20 2.085074E-20 1.224359E-20 6.367100E-21 5.569519E-22 8.040178E-25 0.000000E+00\nACET_06 EQY 250.000 2.809512E-01 1.160307E-01 2.647062E-02 6.960636E-03 6.743219E-04 2.815926E-03 0.000000E+00\nACET_06 CS 270.000 3.310749E-20 2.165984E-20 1.292394E-20 6.826211E-21 6.654463E-22 8.078511E-25 0.000000E+00\nACET_06 EQY 270.000 2.968808E-01 1.462965E-01 4.266421E-02 1.463851E-02 2.890122E-03 2.815926E-03 0.000000E+00\nACET_06 CS 290.000 3.416823E-20 2.245764E-20 1.349254E-20 7.232033E-21 8.137126E-22 8.144196E-25 0.000000E+00\nACET_06 EQY 290.000 3.304489E-01 1.933462E-01 7.158442E-02 3.118674E-02 1.028313E-02 2.815926E-03 0.000000E+00\nACET_06 CS 310.000 3.540091E-20 2.321163E-20 1.390108E-20 7.556429E-21 1.005795E-21 8.241424E-25 0.000000E+00\nACET_06 EQY 310.000 3.799048E-01 2.592952E-01 1.186578E-01 6.243775E-02 2.927807E-02 2.815926E-03 0.000000E+00\nMEK_06 CS 210.000 4.166522E-20 2.686872E-20 1.573254E-20 7.723365E-21 8.066992E-22 1.609625E-25 0.000000E+00\nMEK_06 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nMEK_06 CS 230.000 4.166522E-20 2.686872E-20 1.573254E-20 7.723365E-21 8.066992E-22 1.609625E-25 0.000000E+00\nMEK_06 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nMEK_06 CS 250.000 4.166522E-20 2.686872E-20 1.573254E-20 7.723365E-21 8.066992E-22 1.609625E-25 0.000000E+00\nMEK_06 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nMEK_06 CS 270.000 4.166522E-20 2.686872E-20 1.573254E-20 7.723365E-21 8.066992E-22 1.609625E-25 0.000000E+00\nMEK_06 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nMEK_06 CS 290.000 4.166522E-20 2.686872E-20 1.573254E-20 7.723365E-21 8.066992E-22 1.609625E-25 0.000000E+00\nMEK_06 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nMEK_06 CS 310.000 4.166522E-20 2.686872E-20 1.573254E-20 7.723365E-21 8.066992E-22 1.609625E-25 0.000000E+00\nMEK_06 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCOOH CS 210.000 5.623467E-21 3.524633E-21 2.410330E-21 1.699588E-21 7.230005E-22 5.395084E-23 0.000000E+00\nCOOH EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCOOH CS 230.000 5.623467E-21 3.524633E-21 2.410330E-21 1.699588E-21 7.230005E-22 5.395084E-23 0.000000E+00\nCOOH EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCOOH CS 250.000 5.623467E-21 3.524633E-21 2.410330E-21 1.699588E-21 7.230005E-22 5.395084E-23 0.000000E+00\nCOOH EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCOOH CS 270.000 5.623467E-21 3.524633E-21 2.410330E-21 1.699588E-21 7.230005E-22 5.395084E-23 0.000000E+00\nCOOH EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCOOH CS 290.000 5.623467E-21 3.524633E-21 2.410330E-21 1.699588E-21 7.230005E-22 5.395084E-23 0.000000E+00\nCOOH EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCOOH CS 310.000 5.623467E-21 3.524633E-21 2.410330E-21 1.699588E-21 7.230005E-22 5.395084E-23 0.000000E+00\nCOOH EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nGLY_07R CS 210.000 3.792117E-20 3.572108E-20 3.194423E-20 2.574261E-20 1.106789E-20 2.757124E-20 1.054177E-20\nGLY_07R EQY 210.000 3.322493E-01 3.432416E-01 3.692827E-01 4.243520E-01 5.564435E-01 1.128644E-01 1.290435E-02\nGLY_07R CS 230.000 3.792117E-20 3.572108E-20 3.194423E-20 2.574261E-20 1.106789E-20 2.757124E-20 1.054177E-20\nGLY_07R EQY 230.000 3.322493E-01 3.432416E-01 3.692827E-01 4.243520E-01 5.564435E-01 1.128644E-01 1.290435E-02\nGLY_07R CS 250.000 3.792117E-20 3.572108E-20 3.194423E-20 2.574261E-20 1.106789E-20 2.757124E-20 1.054177E-20\nGLY_07R EQY 250.000 3.322493E-01 3.432416E-01 3.692827E-01 4.243520E-01 5.564435E-01 1.128644E-01 1.290435E-02\nGLY_07R CS 270.000 3.792117E-20 3.572108E-20 3.194423E-20 2.574261E-20 1.106789E-20 2.757124E-20 1.054177E-20\nGLY_07R EQY 270.000 3.322493E-01 3.432416E-01 3.692827E-01 4.243520E-01 5.564435E-01 1.128644E-01 1.290435E-02\nGLY_07R CS 290.000 3.792117E-20 3.572108E-20 3.194423E-20 2.574261E-20 1.106789E-20 2.757124E-20 1.054177E-20\nGLY_07R EQY 290.000 3.322493E-01 3.432416E-01 3.692827E-01 4.243520E-01 5.564435E-01 1.128644E-01 1.290435E-02\nGLY_07R CS 310.000 3.792117E-20 3.572108E-20 3.194423E-20 2.574261E-20 1.106789E-20 2.757124E-20 1.054177E-20\nGLY_07R EQY 310.000 3.322493E-01 3.432416E-01 3.692827E-01 4.243520E-01 5.564435E-01 1.128644E-01 1.290435E-02\nGLY_07M CS 210.000 3.792117E-20 3.572108E-20 3.194423E-20 2.574261E-20 1.106789E-20 2.757124E-20 1.054177E-20\nGLY_07M EQY 210.000 6.677508E-01 6.567584E-01 6.307371E-01 5.757954E-01 4.436239E-01 1.921121E-02 4.356914E-04\nGLY_07M CS 230.000 3.792117E-20 3.572108E-20 3.194423E-20 2.574261E-20 1.106789E-20 2.757124E-20 1.054177E-20\nGLY_07M EQY 230.000 6.677508E-01 6.567584E-01 6.307371E-01 5.757954E-01 4.436239E-01 1.921121E-02 4.356914E-04\nGLY_07M CS 250.000 3.792117E-20 3.572108E-20 3.194423E-20 2.574261E-20 1.106789E-20 2.757124E-20 1.054177E-20\nGLY_07M EQY 250.000 6.677508E-01 6.567584E-01 6.307371E-01 5.757954E-01 4.436239E-01 1.921121E-02 4.356914E-04\nGLY_07M CS 270.000 3.792117E-20 3.572108E-20 3.194423E-20 2.574261E-20 1.106789E-20 2.757124E-20 1.054177E-20\nGLY_07M EQY 270.000 6.677508E-01 6.567584E-01 6.307371E-01 5.757954E-01 4.436239E-01 1.921121E-02 4.356914E-04\nGLY_07M CS 290.000 3.792117E-20 3.572108E-20 3.194423E-20 2.574261E-20 1.106789E-20 2.757124E-20 1.054177E-20\nGLY_07M EQY 290.000 6.677508E-01 6.567584E-01 6.307371E-01 5.757954E-01 4.436239E-01 1.921121E-02 4.356914E-04\nGLY_07M CS 310.000 3.792117E-20 3.572108E-20 3.194423E-20 2.574261E-20 1.106789E-20 2.757124E-20 1.054177E-20\nGLY_07M EQY 310.000 6.677508E-01 6.567584E-01 6.307371E-01 5.757954E-01 4.436239E-01 1.921121E-02 4.356914E-04\nMGLY_06 CS 210.000 4.380391E-20 3.467071E-20 2.430916E-20 1.788232E-20 6.183676E-21 3.700269E-20 7.910759E-21\nMGLY_06 EQY 210.000 9.568916E-01 9.293678E-01 8.972124E-01 8.583242E-01 7.397596E-01 1.441366E-01 4.043944E-02\nMGLY_06 CS 230.000 4.380391E-20 3.467071E-20 2.430916E-20 1.788232E-20 6.183676E-21 3.700269E-20 7.910759E-21\nMGLY_06 EQY 230.000 9.569005E-01 9.293821E-01 8.972324E-01 8.583509E-01 7.398077E-01 1.441526E-01 4.043944E-02\nMGLY_06 CS 250.000 4.380391E-20 3.467071E-20 2.430916E-20 1.788232E-20 6.183676E-21 3.700269E-20 7.910759E-21\nMGLY_06 EQY 250.000 9.569092E-01 9.293964E-01 8.972526E-01 8.583775E-01 7.398561E-01 1.441687E-01 4.043944E-02\nMGLY_06 CS 270.000 4.380391E-20 3.467071E-20 2.430916E-20 1.788232E-20 6.183676E-21 3.700269E-20 7.910759E-21\nMGLY_06 EQY 270.000 9.569181E-01 9.294107E-01 8.972727E-01 8.584042E-01 7.399043E-01 1.441847E-01 4.043944E-02\nMGLY_06 CS 290.000 4.380391E-20 3.467071E-20 2.430916E-20 1.788232E-20 6.183676E-21 3.700269E-20 7.910759E-21\nMGLY_06 EQY 290.000 9.569269E-01 9.294251E-01 8.972929E-01 8.584309E-01 7.399526E-01 1.442007E-01 4.043944E-02\nMGLY_06 CS 310.000 4.380391E-20 3.467071E-20 2.430916E-20 1.788232E-20 6.183676E-21 3.700269E-20 7.910759E-21\nMGLY_06 EQY 310.000 9.569357E-01 9.294394E-01 8.973130E-01 8.584574E-01 7.400008E-01 1.442167E-01 4.043944E-02\nBACL_07 CS 210.000 2.658386E-20 1.613232E-20 9.254814E-21 6.071191E-21 4.661714E-21 3.201369E-20 4.709774E-21\nBACL_07 EQY 210.000 9.897234E-01 9.822789E-01 9.734015E-01 9.617480E-01 9.039215E-01 3.719448E-01 1.041750E-01\nBACL_07 CS 230.000 2.658386E-20 1.613232E-20 9.254814E-21 6.071191E-21 4.661714E-21 3.201369E-20 4.709774E-21\nBACL_07 EQY 230.000 9.897328E-01 9.822950E-01 9.734252E-01 9.617816E-01 9.039935E-01 3.720514E-01 1.041750E-01\nBACL_07 CS 250.000 2.658386E-20 1.613232E-20 9.254814E-21 6.071191E-21 4.661714E-21 3.201369E-20 4.709774E-21\nBACL_07 EQY 250.000 9.897422E-01 9.823109E-01 9.734489E-01 9.618149E-01 9.040656E-01 3.721582E-01 1.041750E-01\nBACL_07 CS 270.000 2.658386E-20 1.613232E-20 9.254814E-21 6.071191E-21 4.661714E-21 3.201369E-20 4.709774E-21\nBACL_07 EQY 270.000 9.897517E-01 9.823268E-01 9.734727E-01 9.618486E-01 9.041377E-01 3.722649E-01 1.041750E-01\nBACL_07 CS 290.000 2.658386E-20 1.613232E-20 9.254814E-21 6.071191E-21 4.661714E-21 3.201369E-20 4.709774E-21\nBACL_07 EQY 290.000 9.897612E-01 9.823428E-01 9.734963E-01 9.618820E-01 9.042099E-01 3.723717E-01 1.041750E-01\nBACL_07 CS 310.000 2.658386E-20 1.613232E-20 9.254814E-21 6.071191E-21 4.661714E-21 3.201369E-20 4.709774E-21\nBACL_07 EQY 310.000 9.897707E-01 9.823589E-01 9.735200E-01 9.619155E-01 9.042819E-01 3.724787E-01 1.041750E-01\nBALD_06 CS 210.000 4.451981E-19 7.297634E-20 7.090561E-20 8.592461E-20 9.197932E-20 1.679403E-20 0.000000E+00\nBALD_06 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nBALD_06 CS 230.000 4.451981E-19 7.297634E-20 7.090561E-20 8.592461E-20 9.197932E-20 1.679403E-20 0.000000E+00\nBALD_06 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nBALD_06 CS 250.000 4.451981E-19 7.297634E-20 7.090561E-20 8.592461E-20 9.197932E-20 1.679403E-20 0.000000E+00\nBALD_06 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nBALD_06 CS 270.000 4.451981E-19 7.297634E-20 7.090561E-20 8.592461E-20 9.197932E-20 1.679403E-20 0.000000E+00\nBALD_06 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nBALD_06 CS 290.000 4.451981E-19 7.297634E-20 7.090561E-20 8.592461E-20 9.197932E-20 1.679403E-20 0.000000E+00\nBALD_06 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nBALD_06 CS 310.000 4.451981E-19 7.297634E-20 7.090561E-20 8.592461E-20 9.197932E-20 1.679403E-20 0.000000E+00\nBALD_06 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nAFG1 CS 210.000 1.731773E-18 1.412652E-18 1.107261E-18 8.915003E-19 5.026284E-19 1.273166E-19 1.232364E-21\nAFG1 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nAFG1 CS 230.000 1.731773E-18 1.412652E-18 1.107261E-18 8.915003E-19 5.026284E-19 1.273166E-19 1.232364E-21\nAFG1 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nAFG1 CS 250.000 1.731773E-18 1.412652E-18 1.107261E-18 8.915003E-19 5.026284E-19 1.273166E-19 1.232364E-21\nAFG1 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nAFG1 CS 270.000 1.731773E-18 1.412652E-18 1.107261E-18 8.915003E-19 5.026284E-19 1.273166E-19 1.232364E-21\nAFG1 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nAFG1 CS 290.000 1.731773E-18 1.412652E-18 1.107261E-18 8.915003E-19 5.026284E-19 1.273166E-19 1.232364E-21\nAFG1 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nAFG1 CS 310.000 1.731773E-18 1.412652E-18 1.107261E-18 8.915003E-19 5.026284E-19 1.273166E-19 1.232364E-21\nAFG1 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nMACR_06 CS 210.000 2.639069E-20 3.936243E-20 4.989643E-20 5.926228E-20 6.528440E-20 1.326810E-20 0.000000E+00\nMACR_06 EQY 210.000 4.845909E-02 3.034989E-02 2.098906E-02 1.472279E-02 6.294584E-03 1.553480E-03 0.000000E+00\nMACR_06 CS 230.000 2.639069E-20 3.936243E-20 4.989643E-20 5.926228E-20 6.528440E-20 1.326810E-20 0.000000E+00\nMACR_06 EQY 230.000 4.845909E-02 3.034989E-02 2.098906E-02 1.472279E-02 6.294584E-03 1.553480E-03 0.000000E+00\nMACR_06 CS 250.000 2.639069E-20 3.936243E-20 4.989643E-20 5.926228E-20 6.528440E-20 1.326810E-20 0.000000E+00\nMACR_06 EQY 250.000 4.845909E-02 3.034989E-02 2.098906E-02 1.472279E-02 6.294584E-03 1.553480E-03 0.000000E+00\nMACR_06 CS 270.000 2.639069E-20 3.936243E-20 4.989643E-20 5.926228E-20 6.528440E-20 1.326810E-20 0.000000E+00\nMACR_06 EQY 270.000 4.845909E-02 3.034989E-02 2.098906E-02 1.472279E-02 6.294584E-03 1.553480E-03 0.000000E+00\nMACR_06 CS 290.000 2.639069E-20 3.936243E-20 4.989643E-20 5.926228E-20 6.528440E-20 1.326810E-20 0.000000E+00\nMACR_06 EQY 290.000 4.845909E-02 3.034989E-02 2.098906E-02 1.472279E-02 6.294584E-03 1.553480E-03 0.000000E+00\nMACR_06 CS 310.000 2.639069E-20 3.936243E-20 4.989643E-20 5.926228E-20 6.528440E-20 1.326810E-20 0.000000E+00\nMACR_06 EQY 310.000 4.845909E-02 3.034989E-02 2.098906E-02 1.472279E-02 6.294584E-03 1.553480E-03 0.000000E+00\nMVK_06 CS 210.000 3.041510E-20 4.373022E-20 5.436504E-20 6.318700E-20 6.828638E-20 8.056523E-21 0.000000E+00\nMVK_06 EQY 210.000 1.734264E-02 1.099765E-02 7.572843E-03 5.269792E-03 2.269807E-03 9.735132E-04 0.000000E+00\nMVK_06 CS 230.000 3.041510E-20 4.373022E-20 5.436504E-20 6.318700E-20 6.828638E-20 8.056523E-21 0.000000E+00\nMVK_06 EQY 230.000 1.734264E-02 1.099765E-02 7.572843E-03 5.269792E-03 2.269807E-03 9.735132E-04 0.000000E+00\nMVK_06 CS 250.000 3.041510E-20 4.373022E-20 5.436504E-20 6.318700E-20 6.828638E-20 8.056523E-21 0.000000E+00\nMVK_06 EQY 250.000 1.734264E-02 1.099765E-02 7.572843E-03 5.269792E-03 2.269807E-03 9.735132E-04 0.000000E+00\nMVK_06 CS 270.000 3.041510E-20 4.373022E-20 5.436504E-20 6.318700E-20 6.828638E-20 8.056523E-21 0.000000E+00\nMVK_06 EQY 270.000 1.734264E-02 1.099765E-02 7.572843E-03 5.269792E-03 2.269807E-03 9.735132E-04 0.000000E+00\nMVK_06 CS 290.000 3.041510E-20 4.373022E-20 5.436504E-20 6.318700E-20 6.828638E-20 8.056523E-21 0.000000E+00\nMVK_06 EQY 290.000 1.734264E-02 1.099765E-02 7.572843E-03 5.269792E-03 2.269807E-03 9.735132E-04 0.000000E+00\nMVK_06 CS 310.000 3.041510E-20 4.373022E-20 5.436504E-20 6.318700E-20 6.828638E-20 8.056523E-21 0.000000E+00\nMVK_06 EQY 310.000 1.734264E-02 1.099765E-02 7.572843E-03 5.269792E-03 2.269807E-03 9.735132E-04 0.000000E+00\nIC3ONO2 CS 210.000 9.514298E-21 4.530419E-21 2.204171E-21 1.039935E-21 1.393909E-22 0.000000E+00 0.000000E+00\nIC3ONO2 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nIC3ONO2 CS 230.000 9.514298E-21 4.530419E-21 2.204171E-21 1.039935E-21 1.393909E-22 0.000000E+00 0.000000E+00\nIC3ONO2 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nIC3ONO2 CS 250.000 9.980248E-21 4.802258E-21 2.361341E-21 1.133020E-21 1.558919E-22 0.000000E+00 0.000000E+00\nIC3ONO2 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nIC3ONO2 CS 270.000 1.098172E-20 5.395850E-21 2.710103E-21 1.344930E-21 1.949851E-22 0.000000E+00 0.000000E+00\nIC3ONO2 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nIC3ONO2 CS 290.000 1.208369E-20 6.062813E-21 3.110376E-21 1.596473E-21 2.438819E-22 0.000000E+00 0.000000E+00\nIC3ONO2 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nIC3ONO2 CS 310.000 1.329624E-20 6.812218E-21 3.569767E-21 1.895064E-21 3.050405E-22 0.000000E+00 0.000000E+00\nIC3ONO2 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nHOCCHO_IUPAC CS 210.000 3.704782E-20 2.277373E-20 1.257586E-20 5.852344E-21 6.507965E-22 0.000000E+00 0.000000E+00\nHOCCHO_IUPAC EQY 210.000 7.500000E-01 7.500000E-01 7.500000E-01 7.500000E-01 7.500000E-01 0.000000E+00 0.000000E+00\nHOCCHO_IUPAC CS 230.000 3.704782E-20 2.277373E-20 1.257586E-20 5.852344E-21 6.507965E-22 0.000000E+00 0.000000E+00\nHOCCHO_IUPAC EQY 230.000 7.500000E-01 7.500000E-01 7.500000E-01 7.500000E-01 7.500000E-01 0.000000E+00 0.000000E+00\nHOCCHO_IUPAC CS 250.000 3.704782E-20 2.277373E-20 1.257586E-20 5.852344E-21 6.507965E-22 0.000000E+00 0.000000E+00\nHOCCHO_IUPAC EQY 250.000 7.500000E-01 7.500000E-01 7.500000E-01 7.500000E-01 7.500000E-01 0.000000E+00 0.000000E+00\nHOCCHO_IUPAC CS 270.000 3.704782E-20 2.277373E-20 1.257586E-20 5.852344E-21 6.507965E-22 0.000000E+00 0.000000E+00\nHOCCHO_IUPAC EQY 270.000 7.500000E-01 7.500000E-01 7.500000E-01 7.500000E-01 7.500000E-01 0.000000E+00 0.000000E+00\nHOCCHO_IUPAC CS 290.000 3.704782E-20 2.277373E-20 1.257586E-20 5.852344E-21 6.507965E-22 0.000000E+00 0.000000E+00\nHOCCHO_IUPAC EQY 290.000 7.500000E-01 7.500000E-01 7.500000E-01 7.500000E-01 7.500000E-01 0.000000E+00 0.000000E+00\nHOCCHO_IUPAC CS 310.000 3.704782E-20 2.277373E-20 1.257586E-20 5.852344E-21 6.507965E-22 0.000000E+00 0.000000E+00\nHOCCHO_IUPAC EQY 310.000 7.500000E-01 7.500000E-01 7.500000E-01 7.500000E-01 7.500000E-01 0.000000E+00 0.000000E+00\nACRO_09 CS 210.000 1.856128E-20 2.787986E-20 3.602616E-20 4.321518E-20 5.371941E-20 1.543856E-20 0.000000E+00\nACRO_09 EQY 210.000 5.269045E-02 3.293790E-02 2.264026E-02 1.595375E-02 6.767500E-03 1.624741E-03 0.000000E+00\nACRO_09 CS 230.000 1.856128E-20 2.787986E-20 3.602616E-20 4.321518E-20 5.371941E-20 1.543856E-20 0.000000E+00\nACRO_09 EQY 230.000 5.269045E-02 3.293790E-02 2.264026E-02 1.595375E-02 6.767500E-03 1.624741E-03 0.000000E+00\nACRO_09 CS 250.000 1.856128E-20 2.787986E-20 3.602616E-20 4.321518E-20 5.371941E-20 1.543856E-20 0.000000E+00\nACRO_09 EQY 250.000 5.269045E-02 3.293790E-02 2.264026E-02 1.595375E-02 6.767500E-03 1.624741E-03 0.000000E+00\nACRO_09 CS 270.000 1.856128E-20 2.787986E-20 3.602616E-20 4.321518E-20 5.371941E-20 1.543856E-20 0.000000E+00\nACRO_09 EQY 270.000 5.269045E-02 3.293790E-02 2.264026E-02 1.595375E-02 6.767500E-03 1.624741E-03 0.000000E+00\nACRO_09 CS 290.000 1.856128E-20 2.787986E-20 3.602616E-20 4.321518E-20 5.371941E-20 1.543856E-20 0.000000E+00\nACRO_09 EQY 290.000 5.269045E-02 3.293790E-02 2.264026E-02 1.595375E-02 6.767500E-03 1.624741E-03 0.000000E+00\nACRO_09 CS 310.000 1.856128E-20 2.787986E-20 3.602616E-20 4.321518E-20 5.371941E-20 1.543856E-20 0.000000E+00\nACRO_09 EQY 310.000 5.269045E-02 3.293790E-02 2.264026E-02 1.595375E-02 6.767500E-03 1.624741E-03 0.000000E+00\nPAA CS 210.000 1.880973E-21 9.984294E-22 5.884834E-22 3.735140E-22 1.059114E-22 0.000000E+00 0.000000E+00\nPAA EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nPAA CS 230.000 1.880973E-21 9.984294E-22 5.884834E-22 3.735140E-22 1.059114E-22 0.000000E+00 0.000000E+00\nPAA EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nPAA CS 250.000 1.880973E-21 9.984294E-22 5.884834E-22 3.735140E-22 1.059114E-22 0.000000E+00 0.000000E+00\nPAA EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nPAA CS 270.000 1.880973E-21 9.984294E-22 5.884834E-22 3.735140E-22 1.059114E-22 0.000000E+00 0.000000E+00\nPAA EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nPAA CS 290.000 1.880973E-21 9.984294E-22 5.884834E-22 3.735140E-22 1.059114E-22 0.000000E+00 0.000000E+00\nPAA EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nPAA CS 310.000 1.880973E-21 9.984294E-22 5.884834E-22 3.735140E-22 1.059114E-22 0.000000E+00 0.000000E+00\nPAA EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nCL2 CS 210.000 8.459998E-20 1.387449E-19 1.859079E-19 2.232772E-19 2.484952E-19 6.038539E-20 6.311131E-22\nCL2 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nCL2 CS 230.000 8.524757E-20 1.389977E-19 1.856245E-19 2.224567E-19 2.471989E-19 6.124574E-20 6.311131E-22\nCL2 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nCL2 CS 250.000 8.601563E-20 1.392877E-19 1.852748E-19 2.214706E-19 2.456518E-19 6.228141E-20 6.311131E-22\nCL2 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nCL2 CS 270.000 8.688803E-20 1.396037E-19 1.848591E-19 2.203326E-19 2.438807E-19 6.347855E-20 6.311131E-22\nCL2 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nCL2 CS 290.000 8.784630E-20 1.399339E-19 1.843792E-19 2.190595E-19 2.419169E-19 6.481979E-20 6.311131E-22\nCL2 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nCL2 CS 310.000 8.835163E-20 1.401007E-19 1.841159E-19 2.183779E-19 2.408728E-19 6.553857E-20 6.311131E-22\nCL2 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nCLNO_06 CS 210.000 9.713532E-20 1.043432E-19 1.150344E-19 1.267321E-19 1.479858E-19 8.438991E-20 4.594130E-21\nCLNO_06 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nCLNO_06 CS 230.000 9.713532E-20 1.043432E-19 1.150344E-19 1.267321E-19 1.479858E-19 8.438991E-20 4.594130E-21\nCLNO_06 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nCLNO_06 CS 250.000 9.713532E-20 1.043432E-19 1.150344E-19 1.267321E-19 1.479858E-19 8.438991E-20 4.594130E-21\nCLNO_06 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nCLNO_06 CS 270.000 9.713532E-20 1.043432E-19 1.150344E-19 1.267321E-19 1.479858E-19 8.438991E-20 4.594130E-21\nCLNO_06 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nCLNO_06 CS 290.000 9.713532E-20 1.043432E-19 1.150344E-19 1.267321E-19 1.479858E-19 8.438991E-20 4.594130E-21\nCLNO_06 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nCLNO_06 CS 310.000 9.713532E-20 1.043432E-19 1.150344E-19 1.267321E-19 1.479858E-19 8.438991E-20 4.594130E-21\nCLNO_06 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nCLONO CS 210.000 1.405580E-18 1.198578E-18 1.052515E-18 9.205324E-19 5.728580E-19 7.394594E-20 0.000000E+00\nCLONO EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCLONO CS 230.000 1.405580E-18 1.198578E-18 1.052515E-18 9.205324E-19 5.728580E-19 7.394594E-20 0.000000E+00\nCLONO EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCLONO CS 250.000 1.405580E-18 1.198578E-18 1.052515E-18 9.205324E-19 5.728580E-19 7.394594E-20 0.000000E+00\nCLONO EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCLONO CS 270.000 1.405580E-18 1.198578E-18 1.052515E-18 9.205324E-19 5.728580E-19 7.394594E-20 0.000000E+00\nCLONO EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCLONO CS 290.000 1.405580E-18 1.198578E-18 1.052515E-18 9.205324E-19 5.728580E-19 7.394594E-20 0.000000E+00\nCLONO EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCLONO CS 310.000 1.405580E-18 1.198578E-18 1.052515E-18 9.205324E-19 5.728580E-19 7.394594E-20 0.000000E+00\nCLONO EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCLNO2 CS 210.000 1.656203E-19 1.407781E-19 1.170052E-19 9.257619E-20 4.108944E-20 2.105267E-21 0.000000E+00\nCLNO2 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCLNO2 CS 230.000 1.625310E-19 1.390370E-19 1.166682E-19 9.343169E-20 4.323496E-20 2.532648E-21 0.000000E+00\nCLNO2 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCLNO2 CS 250.000 1.607963E-19 1.382499E-19 1.170532E-19 9.483844E-20 4.569999E-20 3.083953E-21 0.000000E+00\nCLNO2 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCLNO2 CS 270.000 1.604163E-19 1.384168E-19 1.181603E-19 9.679644E-20 4.848453E-20 3.759182E-21 0.000000E+00\nCLNO2 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCLNO2 CS 290.000 1.613911E-19 1.395376E-19 1.199895E-19 9.930572E-20 5.158858E-20 4.558336E-21 0.000000E+00\nCLNO2 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCLNO2 CS 310.000 1.619476E-19 1.400598E-19 1.206790E-19 1.001660E-19 5.258209E-20 4.822247E-21 0.000000E+00\nCLNO2 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCLONO2_1 CS 210.000 3.530556E-20 1.872070E-20 1.123545E-20 7.141706E-21 3.111550E-21 9.743237E-22 9.489116E-24\nCLONO2_1 EQY 210.000 4.000000E-01 3.992096E-01 3.837866E-01 3.420477E-01 2.361424E-01 2.718547E-02 0.000000E+00\nCLONO2_1 CS 230.000 3.756278E-20 2.004876E-20 1.210488E-20 7.706714E-21 3.240199E-21 1.038511E-21 9.491610E-24\nCLONO2_1 EQY 230.000 4.000000E-01 3.992096E-01 3.837866E-01 3.420477E-01 2.361424E-01 2.718547E-02 0.000000E+00\nCLONO2_1 CS 250.000 3.999382E-20 2.155965E-20 1.312916E-20 8.405717E-21 3.464433E-21 1.097813E-21 9.504681E-24\nCLONO2_1 EQY 250.000 4.000000E-01 3.992096E-01 3.837866E-01 3.420477E-01 2.361424E-01 2.718547E-02 0.000000E+00\nCLONO2_1 CS 270.000 4.259870E-20 2.325335E-20 1.430828E-20 9.238715E-21 3.784253E-21 1.152229E-21 9.528331E-24\nCLONO2_1 EQY 270.000 4.000000E-01 3.992096E-01 3.837866E-01 3.420477E-01 2.361424E-01 2.718547E-02 0.000000E+00\nCLONO2_1 CS 290.000 4.537742E-20 2.512988E-20 1.564224E-20 1.020571E-20 4.199657E-21 1.201758E-21 9.562558E-24\nCLONO2_1 EQY 290.000 4.000000E-01 3.992096E-01 3.837866E-01 3.420477E-01 2.361424E-01 2.718547E-02 0.000000E+00\nCLONO2_1 CS 310.000 4.832995E-20 2.718922E-20 1.713105E-20 1.130669E-20 4.710647E-21 1.246402E-21 9.607363E-24\nCLONO2_1 EQY 310.000 4.000000E-01 3.992096E-01 3.837866E-01 3.420477E-01 2.361424E-01 2.718547E-02 0.000000E+00\nCLONO2_2 CS 210.000 3.530556E-20 1.872070E-20 1.123545E-20 7.141706E-21 3.111550E-21 9.743237E-22 9.489116E-24\nCLONO2_2 EQY 210.000 6.000000E-01 6.007904E-01 6.162134E-01 6.579523E-01 7.638576E-01 9.728145E-01 1.000000E+00\nCLONO2_2 CS 230.000 3.756278E-20 2.004876E-20 1.210488E-20 7.706714E-21 3.240199E-21 1.038511E-21 9.491610E-24\nCLONO2_2 EQY 230.000 6.000000E-01 6.007904E-01 6.162134E-01 6.579523E-01 7.638576E-01 9.728145E-01 1.000000E+00\nCLONO2_2 CS 250.000 3.999382E-20 2.155965E-20 1.312916E-20 8.405717E-21 3.464433E-21 1.097813E-21 9.504681E-24\nCLONO2_2 EQY 250.000 6.000000E-01 6.007904E-01 6.162134E-01 6.579523E-01 7.638576E-01 9.728145E-01 1.000000E+00\nCLONO2_2 CS 270.000 4.259870E-20 2.325335E-20 1.430828E-20 9.238715E-21 3.784253E-21 1.152229E-21 9.528331E-24\nCLONO2_2 EQY 270.000 6.000000E-01 6.007904E-01 6.162134E-01 6.579523E-01 7.638576E-01 9.728145E-01 1.000000E+00\nCLONO2_2 CS 290.000 4.537742E-20 2.512988E-20 1.564224E-20 1.020571E-20 4.199657E-21 1.201758E-21 9.562558E-24\nCLONO2_2 EQY 290.000 6.000000E-01 6.007904E-01 6.162134E-01 6.579523E-01 7.638576E-01 9.728145E-01 1.000000E+00\nCLONO2_2 CS 310.000 4.832995E-20 2.718922E-20 1.713105E-20 1.130669E-20 4.710647E-21 1.246402E-21 9.607363E-24\nCLONO2_2 EQY 310.000 6.000000E-01 6.007904E-01 6.162134E-01 6.579523E-01 7.638576E-01 9.728145E-01 1.000000E+00\nHOCL_06 CS 210.000 5.570117E-20 6.066935E-20 5.958161E-20 5.377945E-20 3.120855E-20 6.545254E-21 1.283755E-23\nHOCL_06 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nHOCL_06 CS 230.000 5.570117E-20 6.066935E-20 5.958161E-20 5.377945E-20 3.120855E-20 6.545254E-21 1.283755E-23\nHOCL_06 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nHOCL_06 CS 250.000 5.570117E-20 6.066935E-20 5.958161E-20 5.377945E-20 3.120855E-20 6.545254E-21 1.283755E-23\nHOCL_06 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nHOCL_06 CS 270.000 5.570117E-20 6.066935E-20 5.958161E-20 5.377945E-20 3.120855E-20 6.545254E-21 1.283755E-23\nHOCL_06 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nHOCL_06 CS 290.000 5.570117E-20 6.066935E-20 5.958161E-20 5.377945E-20 3.120855E-20 6.545254E-21 1.283755E-23\nHOCL_06 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nHOCL_06 CS 310.000 5.570117E-20 6.066935E-20 5.958161E-20 5.377945E-20 3.120855E-20 6.545254E-21 1.283755E-23\nHOCL_06 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nCLCCHO CS 210.000 5.379352E-20 5.300264E-20 4.849378E-20 3.861017E-20 1.286108E-20 9.228975E-23 0.000000E+00\nCLCCHO EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCLCCHO CS 230.000 5.379352E-20 5.300264E-20 4.849378E-20 3.861017E-20 1.286108E-20 9.228975E-23 0.000000E+00\nCLCCHO EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCLCCHO CS 250.000 5.379352E-20 5.300264E-20 4.849378E-20 3.861017E-20 1.286108E-20 9.228975E-23 0.000000E+00\nCLCCHO EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCLCCHO CS 270.000 5.379352E-20 5.300264E-20 4.849378E-20 3.861017E-20 1.286108E-20 9.228975E-23 0.000000E+00\nCLCCHO EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCLCCHO CS 290.000 5.379352E-20 5.300264E-20 4.849378E-20 3.861017E-20 1.286108E-20 9.228975E-23 0.000000E+00\nCLCCHO EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCLCCHO CS 310.000 5.379352E-20 5.300264E-20 4.849378E-20 3.861017E-20 1.286108E-20 9.228975E-23 0.000000E+00\nCLCCHO EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCLACET CS 210.000 1.000121E-19 8.662045E-20 6.774627E-20 4.765676E-20 1.132983E-20 6.893265E-23 0.000000E+00\nCLACET EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCLACET CS 230.000 1.000121E-19 8.662045E-20 6.774627E-20 4.765676E-20 1.132983E-20 6.893265E-23 0.000000E+00\nCLACET EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCLACET CS 250.000 1.000121E-19 8.662045E-20 6.774627E-20 4.765676E-20 1.132983E-20 6.893265E-23 0.000000E+00\nCLACET EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCLACET CS 270.000 1.000121E-19 8.662045E-20 6.774627E-20 4.765676E-20 1.132983E-20 6.893265E-23 0.000000E+00\nCLACET EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCLACET CS 290.000 1.000121E-19 8.662045E-20 6.774627E-20 4.765676E-20 1.132983E-20 6.893265E-23 0.000000E+00\nCLACET EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCLACET CS 310.000 1.000121E-19 8.662045E-20 6.774627E-20 4.765676E-20 1.132983E-20 6.893265E-23 0.000000E+00\nCLACET EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\n! Ozone Cross-Section for Stratospheric Opacity based on Table 4-5 in\n! Chemical Kinetics and Photochemical Data for Use in Atmospheric\n! Studies Evaluation Number 15. Sander et. al: NASA-JPL 2006 \nNTEMP_STRAT = 6\n! QUANTITY TEMP WBIN( 1) WBIN( 2) WBIN( 3) WBIN( 4) WBIN( 5) WBIN( 6) WBIN( 7)\nO3_STRAT CS 180.000 6.113743E-19 2.263004E-19 8.354117E-20 3.417408E-20 3.688351E-21 4.086261E-23 1.663175E-21\nO3_STRAT CS 260.000 6.434133E-19 2.434104E-19 9.254548E-20 3.928807E-20 4.583227E-21 4.086261E-23 1.663175E-21\nO3_STRAT CS 300.000 6.685868E-19 2.568540E-19 9.962031E-20 4.330621E-20 5.286344E-21 4.086261E-23 1.663175E-21\nO3_STRAT CS 340.000 6.685868E-19 2.568540E-19 9.962031E-20 4.330621E-20 5.286344E-21 4.086261E-23 1.663175E-21\nO3_STRAT CS 380.000 6.685868E-19 2.568540E-19 9.962031E-20 4.330621E-20 5.286344E-21 4.086261E-23 1.663175E-21\nO3_STRAT CS 420.000 6.685868E-19 2.568540E-19 9.962031E-20 4.330621E-20 5.286344E-21 4.086261E-23 1.663175E-21\n" }, { "path": "CCTM/src/MECHS/saprc07tc_ae6_aq/GC_saprc07tc_ae6_aq.nml", "content": "&GC_nml\n\nGC_SPECIES_DATA = \n\n!SPECIES ,MOLWT ,IC ,IC_FAC ,BC ,BC_FAC ,DRYDEP SURR ,FAC ,WET-SCAV SURR ,FAC ,GC2AE SURR ,GC2AQ SURR,TRNS ,DDEP ,WDEP ,CONC\n'NO2' , 46.0 ,'' ,-1 ,'' ,-1 ,'VD_NO2' , 1 ,'NO2' , 1 ,'NO2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'NO' , 30.0 ,'' ,-1 ,'' ,-1 ,'VD_NO' , 1 ,'NO' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'O3P' , 16.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'O3' , 48.0 ,'' ,-1 ,'' ,-1 ,'VD_O3' , 1 ,'O3' , 1 ,'' ,'O3' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'NO3' , 62.0 ,'' ,-1 ,'' ,-1 ,'VD_NO3' , 1 ,'NO3' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'N2O5' ,108.0 ,'' ,-1 ,'' ,-1 ,'VD_N2O5' , 1 ,'N2O5' , 1 ,'N2O5' ,'N2O5' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'HNO3' , 63.0 ,'' ,-1 ,'' ,-1 ,'VD_HNO3' , 1 ,'HNO3' , 1 ,'HNO3' ,'HNO3' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'O1D' , 16.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'OH' , 17.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'OH' , 1 ,'OH' ,'HO' ,'' ,'' ,'Yes' ,'Yes',\n'HONO' , 47.0 ,'' ,-1 ,'' ,-1 ,'VD_HONO' , 1 ,'HNO2' , 1 ,'HONO' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'HO2' , 33.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'HO2' , 1 ,'' ,'HO2' ,'' ,'' ,'Yes' ,'Yes',\n'CO' , 28.0 ,'' ,-1 ,'' ,-1 ,'VD_CO' , 1 ,'CO' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'CO2' , 44.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'CO2' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'HNO4' , 79.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'HNO4' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'HO2H' , 34.0 ,'' ,-1 ,'' ,-1 ,'VD_H2O2' , 1 ,'H2O2' , 1 ,'' ,'H2O2' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SO2' , 64.1 ,'' ,-1 ,'' ,-1 ,'VD_SO2' , 1 ,'SO2' , 1 ,'' ,'SO2' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SULF' , 98.1 ,'' ,-1 ,'' ,-1 ,'VD_SULF' , 1 ,'H2SO4' , 1 ,'SULF' ,'H2SO4' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SULRXN' , 98.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'SULPRD' ,'' ,'' ,'' ,'' ,'' ,\n'MEO2' , 47.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'HCHO' , 30.0 ,'' ,-1 ,'' ,-1 ,'VD_HCHO' , 1 ,'FORMALDEHYDE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'COOH' , 48.0 ,'' ,-1 ,'' ,-1 ,'VD_OP' , 1 ,'METHYLHYDROPEROX', 1 ,'' ,'MHP' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'MEOH' , 32.0 ,'' ,-1 ,'' ,-1 ,'VD_METHANOL' , 1 ,'METHANOL' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'RO2C' , 1.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'RO2XC' , 1.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'MECO3' , 75.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'PAN' ,121.1 ,'' ,-1 ,'' ,-1 ,'VD_PAN' , 1 ,'PAN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'CCOOOH' , 76.0 ,'' ,-1 ,'' ,-1 ,'VD_PAA' , 1 ,'PEROXYACETIC_ACI', 1 ,'' ,'PAA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'CCOOH' , 60.1 ,'' ,-1 ,'' ,-1 ,'VD_ORA' , 1 ,'ACETIC_ACID' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'RCO3' , 89.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'PAN2' ,135.1 ,'' ,-1 ,'' ,-1 ,'VD_PAN' , 1 ,'PPN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'xHO2' , 33.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'yROOH' , 76.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'xCCHO' , 44.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'RCOOOH' , 74.1 ,'' ,-1 ,'' ,-1 ,'VD_PAA' , 1 ,'PEROXYACETIC_ACI', 1 ,'' ,'PAA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'RCOOH' , 74.1 ,'' ,-1 ,'' ,-1 ,'VD_ORA' , 1 ,'PROPANOIC_ACID' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'BZCO3' ,137.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'PBZN' ,183.1 ,'' ,-1 ,'' ,-1 ,'VD_PAN' , 1 ,'PAN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'BZO' , 93.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'MACO3' ,101.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'MAPAN' ,147.1 ,'' ,-1 ,'' ,-1 ,'VD_PAN' , 1 ,'MPAN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'TBUO' , 73.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'RNO3' ,147.2 ,'' ,-1 ,'' ,-1 ,'VD_PAN' , 1 ,'MPAN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ACETONE' , 58.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'ACETONE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'NPHE' ,139.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'2-NITROPHENOL' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'CRES' ,108.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'2-CRESOL' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'xOH' , 17.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'xNO2' , 46.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'xMEO2' , 47.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'xMECO3' , 75.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'xRCO3' , 89.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'xMACO3' ,101.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'xTBUO' , 73.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'xCO' , 28.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'CCHO' , 44.1 ,'' ,-1 ,'' ,-1 ,'VD_ALD' , 1 ,'ACETALDEHYDE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'RCHO' , 58.1 ,'' ,-1 ,'' ,-1 ,'VD_GEN_ALD' , 1 ,'GENERIC_ALDEHYDE', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'xHCHO' , 30.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'MEK' , 72.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'MEK' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'zRNO3' ,147.2 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'xRCHO' , 58.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'HCOOH' , 46.0 ,'' ,-1 ,'' ,-1 ,'VD_ORA' , 1 ,'FORMIC_ACID' , 1 ,'' ,'FOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'xMGLY' , 72.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'xBACL' , 86.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'ROOH' , 76.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'METHYLHYDROPEROX', 1 ,'' ,'MHP' ,'Yes' ,'' ,'Yes' ,'Yes',\n'xPROD2' ,116.2 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'R6OOH' ,118.2 ,'' ,-1 ,'' ,-1 ,'VD_OP' , 1 ,'HEXYL_HYDROPEROX', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ISOPOOH' ,118.2 ,'' ,-1 ,'' ,-1 ,'VD_OP' , 1 ,'HEXYL_HYDROPEROX', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'IEPOX' ,118.1 ,'' ,-1 ,'' ,-1 ,'VD_OP' ,1.5 ,'IEPOX' , 1 ,'IEPOX' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'IEPOXOO' ,149.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'PRD2' ,116.2 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'MEK' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'yR6OOH' ,118.2 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'yISOPOOH' ,118.2 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'RAOOH' ,188.2 ,'' ,-1 ,'' ,-1 ,'VD_OP' , 1 ,'HEXYL_HYDROPEROX', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'MGLY' , 72.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'METHYL_GLYOXAL' , 1 ,'' ,'MGLY' ,'Yes' ,'' ,'Yes' ,'Yes',\n'IPRD' ,100.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'xGLY' , 58.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'xMEK' , 72.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'xAFG1' , 98.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'xAFG2' , 98.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'GLY' , 58.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'GLYOXAL' , 1 ,'' ,'GLY' ,'Yes' ,'' ,'Yes' ,'Yes',\n'AFG1' , 98.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'AFG2' , 98.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'HCOCO3' , 89.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'BACL' , 86.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'BIACETYL' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'BALD' ,106.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'BENZALDEHYDE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'AFG3' ,124.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'xIPRD' ,100.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'MACR' , 70.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'METHACROLEIN' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'MVK' , 70.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'MVK' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'xHOCCHO' , 60.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'xRNO3' ,147.2 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'HOCCHO' , 60.1 ,'' ,-1 ,'' ,-1 ,'VD_GEN_ALD' , 1 ,'GENERIC_ALDEHYDE', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'xACETONE' , 58.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'ACROLEIN' , 56.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'ACROLEIN' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'xBALD' ,106.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'xAFG3' ,124.7 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'xMACR' , 70.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'xMVK' , 70.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'yRAOOH' ,188.2 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'xACROLEIN' , 56.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'ETHENE' , 28.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'ETHENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'PROPENE' , 42.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'PROPENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'BUTADIENE13' , 54.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'13-BUTADIENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'ISOPRENE' , 68.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'ISOPRENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'ISOPRXN' , 68.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'ISOPRXN' ,'' ,'' ,'' ,'' ,'' ,\n'APIN' ,136.2 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'PINENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'TRPRXN' ,136.2 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'TRPRXN' ,'' ,'' ,'' ,'' ,'' ,\n'ACETYLENE' , 26.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'ACETYLENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'BENZENE' , 78.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'BENZENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'BENZRO2' ,159.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'TOLUENE' , 92.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'TOLUENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'TOLRO2' ,172.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'MXYL' ,106.2 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'M-XYLENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'XYLRO2' ,187.2 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'OXYL' ,106.2 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'O-XYLENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'PXYL' ,106.2 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'P-XYLENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'TMBENZ124' ,120.2 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'124TRIMETH_BENZE', 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'ETOH' , 46.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'ETHANOL' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'ALK1' , 30.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'ETHANE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'ALK2' , 36.7 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'PROPANE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'ALK3' , 58.6 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'BUTANE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'ALK4' , 77.6 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'BUTANE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'ALK5' ,118.9 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'DECANE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'SOAALK' ,112.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'DECANE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'ALKRXN' ,112.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'ALKRXN' ,'' ,'' ,'' ,'' ,'' ,\n'OLE1' , 72.3 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'ETHENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'OLE2' , 75.8 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'ETHENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'ARO1' , 95.2 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'TOLUENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'ARO2MN' ,118.7 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'O-XYLENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'NAPHTHAL' ,118.7 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'O-XYLENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'PAHRO2' ,187.2 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'TERP' ,136.2 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'PINENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'SESQ' ,204.4 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'PINENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'SESQRXN' ,204.4 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'SESQRXN' ,'' ,'' ,'' ,'' ,'' ,\n'CL2' , 70.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'CL2' , 1 ,'' ,'CL2' ,'Yes' ,'' ,'Yes' ,'Yes',\n'CL' , 35.5 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'CLNO' , 65.5 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'NITROSYL_CHLORID', 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'CLONO' , 81.5 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'CLNO2' , 81.5 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'NITRYL_CHLORIDE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'HCL' , 36.5 ,'' ,-1 ,'' ,-1 ,'VD_HCL' , 1 ,'HCL' , 1 ,'HCL' ,'HCL' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'CLO' , 51.5 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'CLONO2' , 97.5 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'HOCL' , 52.5 ,'' ,-1 ,'' ,-1 ,'VD_HOCL' , 1 ,'HOCL' , 1 ,'' ,'HOCL' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'xCL' , 35.5 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'xCLCCHO' , 78.5 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'xCLACET' , 92.5 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'CLCCHO' , 78.5 ,'' ,-1 ,'' ,-1 ,'VD_ALD' , 1 ,'CHLOROACETALDEHY', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'CLACET' , 92.5 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'CHLOROACETONE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'CLCHO' , 64.5 ,'' ,-1 ,'' ,-1 ,'VD_FMCL' , 1 ,'FMCL' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'BNZNRXN' ,159.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'BNZNRXN' ,'' ,'' ,'' ,'' ,'' ,\n'BNZHRXN' ,159.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'BNZHRXN' ,'' ,'' ,'' ,'' ,'' ,\n'XYLNRXN' ,187.2 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'XYLNRXN' ,'' ,'' ,'' ,'' ,'' ,\n'XYLHRXN' ,187.2 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'XYLHRXN' ,'' ,'' ,'' ,'' ,'' ,\n'TOLNRXN' ,172.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'TOLNRXN' ,'' ,'' ,'' ,'' ,'' ,\n'TOLHRXN' ,172.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'TOLHRXN' ,'' ,'' ,'' ,'' ,'' ,\n'PAHNRXN' ,172.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'PAHNRXN' ,'' ,'' ,'' ,'' ,'' ,\n'PAHHRXN' ,172.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'PAHHRXN' ,'' ,'' ,'' ,'' ,'' ,\n'HCHO_PRIMARY' , 30.0 ,'' ,-1 ,'' ,-1 ,'VD_HCHO' , 1 ,'FORMALDEHYDE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'CCHO_PRIMARY' , 44.1 ,'' ,-1 ,'' ,-1 ,'VD_ALD' , 1 ,'ACETALDEHYDE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ACRO_PRIMARY' , 56.1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'ACROLEIN' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'H2NO3PIJ' , 64.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'H2NO3PK' , 64.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'VLVPO1' ,218.0 ,'' ,-1 ,'' ,-1 ,'VD_ORA' , 1 ,'ADIPIC_ACID' , 1 ,'VLVPO1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VSVPO1' ,230.0 ,'' ,-1 ,'' ,-1 ,'VD_ORA' , 1 ,'ADIPIC_ACID' , 1 ,'VSVPO1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VSVPO2' ,241.0 ,'' ,-1 ,'' ,-1 ,'VD_ORA' , 1 ,'ADIPIC_ACID' , 1 ,'VSVPO2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VSVPO3' ,253.0 ,'' ,-1 ,'' ,-1 ,'VD_ORA' , 1 ,'ADIPIC_ACID' , 1 ,'VSVPO3' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VIVPO1' ,266.0 ,'' ,-1 ,'' ,-1 ,'VD_ORA' , 1 ,'ADIPIC_ACID' , 1 ,'VIVPO1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VLVOO1' ,136.0 ,'' ,-1 ,'' ,-1 ,'VD_ORA' , 1 ,'ADIPIC_ACID' , 1 ,'VLVOO1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VLVOO2' ,136.0 ,'' ,-1 ,'' ,-1 ,'VD_ORA' , 1 ,'ADIPIC_ACID' , 1 ,'VLVOO2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VSVOO1' ,135.0 ,'' ,-1 ,'' ,-1 ,'VD_ORA' , 1 ,'ADIPIC_ACID' , 1 ,'VSVOO1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VSVOO2' ,135.0 ,'' ,-1 ,'' ,-1 ,'VD_ORA' , 1 ,'ADIPIC_ACID' , 1 ,'VSVOO2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VSVOO3' ,134.0 ,'' ,-1 ,'' ,-1 ,'VD_ORA' , 1 ,'ADIPIC_ACID' , 1 ,'VSVOO3' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'PCVOC' ,170.0 ,'' ,-1 ,'' ,-1 ,'VD_GEN_ALD' , 1 ,'GENERIC_ALDEHYDE', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'PCSOARXN' ,170.0 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'PCSOARXN' ,'' ,'' ,'' ,'' ,'' ,\n/\n" }, { "path": "CCTM/src/MECHS/saprc07tc_ae6_aq/NR_saprc07tc_ae6_aq.nml", "content": "&NR_nml\n\nNR_SPECIES_DATA = \n\n!SPECIES ,MOLWT ,IC ,IC_FAC ,BC ,BC_FAC ,DRYDEP SURR ,FAC ,WET-SCAV SURR ,FAC ,NR2AE SURR ,NR2AQ SURR,TRNS ,DDEP ,WDEP ,CONC\n'NH3' , 17.0 ,'' ,-1 ,'' ,-1 ,'VD_NH3' , 1 ,'NH3' , 1 ,'NH3' ,'NH3' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVALK1' ,225.0 ,'' ,-1 ,'' ,-1 ,'VD_SVALK1' , 1 ,'SVALK1' , 1 ,'SVALK1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVALK2' ,205.1 ,'' ,-1 ,'' ,-1 ,'VD_SVALK2' , 1 ,'SVALK2' , 1 ,'SVALK2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVXYL1' ,174.0 ,'' ,-1 ,'' ,-1 ,'VD_SVXYL1' , 1 ,'SVXYL1' , 1 ,'SVXYL1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVXYL2' ,185.0 ,'' ,-1 ,'' ,-1 ,'VD_SVXYL2' , 1 ,'SVXYL2' , 1 ,'SVXYL2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVTOL1' ,163.0 ,'' ,-1 ,'' ,-1 ,'VD_SVTOL1' , 1 ,'SVTOL1' , 1 ,'SVTOL1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVTOL2' ,175.0 ,'' ,-1 ,'' ,-1 ,'VD_SVTOL2' , 1 ,'SVTOL2' , 1 ,'SVTOL2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVBNZ1' ,161.0 ,'' ,-1 ,'' ,-1 ,'VD_SVBNZ1' , 1 ,'SVBNZ1' , 1 ,'SVBNZ1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVBNZ2' ,134.0 ,'' ,-1 ,'' ,-1 ,'VD_SVBNZ2' , 1 ,'SVBNZ2' , 1 ,'SVBNZ2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVPAH1' ,195.6 ,'' ,-1 ,'' ,-1 ,'VD_SVPAH1' , 1 ,'SVPAH1' , 1 ,'SVPAH1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVPAH2' ,178.7 ,'' ,-1 ,'' ,-1 ,'VD_SVPAH2' , 1 ,'SVPAH2' , 1 ,'SVPAH2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVTRP1' ,177.0 ,'' ,-1 ,'' ,-1 ,'VD_SVTRP1' , 1 ,'SVTRP1' , 1 ,'SVTRP1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVTRP2' ,198.0 ,'' ,-1 ,'' ,-1 ,'VD_SVTRP2' , 1 ,'SVTRP2' , 1 ,'SVTRP2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVISO1' ,132.0 ,'' ,-1 ,'' ,-1 ,'VD_SVISO1' , 1 ,'SVISO1' , 1 ,'SVISO1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVISO2' ,133.0 ,'' ,-1 ,'' ,-1 ,'VD_SVISO2' , 1 ,'SVISO2' , 1 ,'SVISO2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVSQT' ,273.0 ,'' ,-1 ,'' ,-1 ,'VD_SVSQT' , 1 ,'SVSQT' , 1 ,'SVSQT' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'LVPCSOG' ,170.0 ,'' ,-1 ,'' ,-1 ,'VD_LVPCSOG' , 1 ,'ADIPIC_ACID' , 1 ,'LVPCSOG' ,'' ,'Yes' ,'' ,'' ,'Yes',\n/\n" }, { "path": "CCTM/src/MECHS/saprc07tc_ae6_aq/RXNS_DATA_MODULE.F90", "content": " MODULE RXNS_DATA\n\n\n IMPLICIT NONE\n\n\n\n! --------- Photochemical Mechanism Reactions, Rates, etc. DAT ---------\n! Source file: /home/bmurphy/cmaq_projects/bicicle_1.7/UTIL/chemmech/input/saprc07tc_ae6_aq/mech_saprc07tc_ae6_aq.def\n! for Mechanism Name: SAPRC07TC_AE6_AQ \n\n! This file is used to create mechanism data and functions\n\n! The following are reserved symbols declared in this file:\n! MECHNAME = Mechanism name\n! N_GAS_CHEM_SPC = Total number of gas species in chemical mechanism\n! NUMB_MECH_SPC = Total number of species in chemical mechanism\n! N_ACT_SP = Number of active (determined by ODE solver) species in mechanism\n! GAS_CHEM_SPC = Names of gas species in chemical mechanism\n! CHEMISTRY_SPC = Names of species in chemical mechanism\n! CGRID_INDEX = CGRID Index of species in chemical mechanism\n! SPECIES_TYPE = Group or type of species \n! SPECIES_MOLWT = Molecular Weight of species (gm/mole)\n! NRXNS = Number of mechanism reactions\n! ZERO_REACT_REACTIONS = number zero reactant reactions\n! ONE_REACT_REACTIONS = number one reactant reactions\n! TWO_REACT_REACTIONS = number second order reactions\n! THREE_REACT_REACTIONS = number three reactant reactions\n! NSUNLIGHT_RXNS = Number of mechanism reactions requiring sunlight\n! NTHERMAL_RXNS = Number of mechanism reactions not requiring sunlight\n! KUNITS = Units of mechanism reactions\n! KTYPE = Reaction type\n! IRXBITS = Bit test mask vector for selected reactions\n! IORDER = Order of the reaction\n! NTERMS_JACOB = Maximum number of nonzero terms in day/night Jacobian\n! MSTEPS_JACOB = Maximum number of LU Decomposition steps to solve each Jacobian\n! KTN1 = Number of type 1 reactions\n! KRX1 = Reactions list pointer to type 1 reactions\n! KTN2 = Number of type 2 reactions\n! KRX2 = Reactions list pointer to type 2 reactions\n! KTN3 = Number of type 3 reactions\n! KRX3 = Reactions list pointer to type 3 reactions\n! KTN4 = Number of type 4 reactions\n! KRX4 = Reactions list pointer to type 4 reactions\n! KTN5 = Number of type 5 reactions\n! KRX5 = Reactions list pointer to type 5 reactions\n! KTN6 = Number of type 6 reactions\n! KRX6 = Reactions list pointer to type 6 reactions\n! KTN7 = Number of type 7 reactions\n! KRX7 = Reactions list pointer to type 7 reactions\n\n! NWM = Number of air 3-body reactions\n! NRXWM = Reactions list pointer to air 3-body reactions\n! ATM_AIR = air 3-body reactions concentration\n! NWW = Number of H2O 3-body reactions\n! NRXWW = Reactions list pointer to H2O 3-body reactions\n! NWO2 = Number of reactions with O2\n! NRXWO2 = Reactions list pointer to O2 reactions\n! ATM_O2 = Oxygen reactions concentration\n! NWN2 = Number of N2 3-body reactions\n! NRXWN2 = Reactions list pointer to N2 3-body reactions\n! ATM_N2 = Nitrogen 3-body reactions concentration\n! NWCH4 = Number of reactions with CH4\n! NRXWCH4 = Reactions list pointer to CH4 reactions\n! ATM_CH4 = Methane reactions concentration\n! NWH2 = Number of reactions with H2\n! NRXWH2 = Reactions list pointer to H2 reactions\n! ATM_H2 = Hydrogen reactions concentration\n\n! MXPRD = Maximum number of mechanism reaction products\n! IRR = Reactions list pointer to reactants and products\n! RTDAT = Kinetic reaction rates expressions components\n! NFALLOFFF = Number of falloff reactions\n! IRRFALL = Reactions list pointer to falloff reactions\n! RFDAT = Falloff reaction rates expressions components\n! SC = Stoichiometric coefficients\n! NREACT = Number of reactants in each mechanism reaction\n! NPRDCT = Number of products in each mechanism reaction\n! RXLABEL = Character label list for mechanism reactions\n! NMPHOT = Number of mechanism photolytic reactions\n! NPHOTAB = Number of photolytic reactions tables\n! IPH = Reactions list pointer to photolytic reactions and tables\n! MHETERO = Number of mechanism heteorogenous reactions\n! NHETERO = Number of unique heteorogenous rate constants\n! IHETERO = Reactions list pointer to heteorogenous reactions and tables\n\n CHARACTER( 32 ), PARAMETER :: MECHNAME = 'SAPRC07TC_AE6_AQ'\n\n INTEGER, PARAMETER :: N_GAS_CHEM_SPC = 173\n INTEGER, PARAMETER :: NUMB_MECH_SPC = 198\n\n CHARACTER( 16 ) :: GAS_CHEM_SPC( N_GAS_CHEM_SPC )\n CHARACTER( 16 ) :: CHEMISTRY_SPC( NUMB_MECH_SPC )\n CHARACTER( 16 ) :: SPECIES_TYPE( NUMB_MECH_SPC )\n INTEGER :: CGRID_INDEX ( NUMB_MECH_SPC )\n INTEGER :: TYPE_INDEX ( NUMB_MECH_SPC )\n REAL( 8 ) :: SPECIES_MOLWT( NUMB_MECH_SPC )\n LOGICAL :: CONVERT_CONC( NUMB_MECH_SPC )\n\n! The below character and integer arrays list the model species names used in the \n! chemical mechanism. The gas species and their order should agree with \n! the GC_SPC array for the gas phase chemistry to work correctly. \n! If present, the CHEMISTRY_SPC names and species type should agree with the CGRID_SPCS module\n\n DATA GAS_CHEM_SPC( 1 ) / 'NO2 ' /\n DATA GAS_CHEM_SPC( 2 ) / 'NO ' /\n DATA GAS_CHEM_SPC( 3 ) / 'O3P ' /\n DATA GAS_CHEM_SPC( 4 ) / 'O3 ' /\n DATA GAS_CHEM_SPC( 5 ) / 'NO3 ' /\n DATA GAS_CHEM_SPC( 6 ) / 'N2O5 ' /\n DATA GAS_CHEM_SPC( 7 ) / 'HNO3 ' /\n DATA GAS_CHEM_SPC( 8 ) / 'O1D ' /\n DATA GAS_CHEM_SPC( 9 ) / 'OH ' /\n DATA GAS_CHEM_SPC( 10 ) / 'HONO ' /\n DATA GAS_CHEM_SPC( 11 ) / 'HO2 ' /\n DATA GAS_CHEM_SPC( 12 ) / 'CO ' /\n DATA GAS_CHEM_SPC( 13 ) / 'CO2 ' /\n DATA GAS_CHEM_SPC( 14 ) / 'HNO4 ' /\n DATA GAS_CHEM_SPC( 15 ) / 'HO2H ' /\n DATA GAS_CHEM_SPC( 16 ) / 'SO2 ' /\n DATA GAS_CHEM_SPC( 17 ) / 'SULF ' /\n DATA GAS_CHEM_SPC( 18 ) / 'SULRXN ' /\n DATA GAS_CHEM_SPC( 19 ) / 'MEO2 ' /\n DATA GAS_CHEM_SPC( 20 ) / 'HCHO ' /\n DATA GAS_CHEM_SPC( 21 ) / 'COOH ' /\n DATA GAS_CHEM_SPC( 22 ) / 'MEOH ' /\n DATA GAS_CHEM_SPC( 23 ) / 'RO2C ' /\n DATA GAS_CHEM_SPC( 24 ) / 'RO2XC ' /\n DATA GAS_CHEM_SPC( 25 ) / 'MECO3 ' /\n DATA GAS_CHEM_SPC( 26 ) / 'PAN ' /\n DATA GAS_CHEM_SPC( 27 ) / 'CCOOOH ' /\n DATA GAS_CHEM_SPC( 28 ) / 'CCOOH ' /\n DATA GAS_CHEM_SPC( 29 ) / 'RCO3 ' /\n DATA GAS_CHEM_SPC( 30 ) / 'PAN2 ' /\n DATA GAS_CHEM_SPC( 31 ) / 'xHO2 ' /\n DATA GAS_CHEM_SPC( 32 ) / 'yROOH ' /\n DATA GAS_CHEM_SPC( 33 ) / 'xCCHO ' /\n DATA GAS_CHEM_SPC( 34 ) / 'RCOOOH ' /\n DATA GAS_CHEM_SPC( 35 ) / 'RCOOH ' /\n DATA GAS_CHEM_SPC( 36 ) / 'BZCO3 ' /\n DATA GAS_CHEM_SPC( 37 ) / 'PBZN ' /\n DATA GAS_CHEM_SPC( 38 ) / 'BZO ' /\n DATA GAS_CHEM_SPC( 39 ) / 'MACO3 ' /\n DATA GAS_CHEM_SPC( 40 ) / 'MAPAN ' /\n DATA GAS_CHEM_SPC( 41 ) / 'TBUO ' /\n DATA GAS_CHEM_SPC( 42 ) / 'RNO3 ' /\n DATA GAS_CHEM_SPC( 43 ) / 'ACETONE ' /\n DATA GAS_CHEM_SPC( 44 ) / 'NPHE ' /\n DATA GAS_CHEM_SPC( 45 ) / 'CRES ' /\n DATA GAS_CHEM_SPC( 46 ) / 'xOH ' /\n DATA GAS_CHEM_SPC( 47 ) / 'xNO2 ' /\n DATA GAS_CHEM_SPC( 48 ) / 'xMEO2 ' /\n DATA GAS_CHEM_SPC( 49 ) / 'xMECO3 ' /\n DATA GAS_CHEM_SPC( 50 ) / 'xRCO3 ' /\n DATA GAS_CHEM_SPC( 51 ) / 'xMACO3 ' /\n DATA GAS_CHEM_SPC( 52 ) / 'xTBUO ' /\n DATA GAS_CHEM_SPC( 53 ) / 'xCO ' /\n DATA GAS_CHEM_SPC( 54 ) / 'CCHO ' /\n DATA GAS_CHEM_SPC( 55 ) / 'RCHO ' /\n DATA GAS_CHEM_SPC( 56 ) / 'xHCHO ' /\n DATA GAS_CHEM_SPC( 57 ) / 'MEK ' /\n DATA GAS_CHEM_SPC( 58 ) / 'zRNO3 ' /\n DATA GAS_CHEM_SPC( 59 ) / 'xRCHO ' /\n DATA GAS_CHEM_SPC( 60 ) / 'HCOOH ' /\n DATA GAS_CHEM_SPC( 61 ) / 'xMGLY ' /\n DATA GAS_CHEM_SPC( 62 ) / 'xBACL ' /\n DATA GAS_CHEM_SPC( 63 ) / 'ROOH ' /\n DATA GAS_CHEM_SPC( 64 ) / 'xPROD2 ' /\n DATA GAS_CHEM_SPC( 65 ) / 'R6OOH ' /\n DATA GAS_CHEM_SPC( 66 ) / 'PRD2 ' /\n DATA GAS_CHEM_SPC( 67 ) / 'yR6OOH ' /\n DATA GAS_CHEM_SPC( 68 ) / 'RAOOH ' /\n DATA GAS_CHEM_SPC( 69 ) / 'MGLY ' /\n DATA GAS_CHEM_SPC( 70 ) / 'IPRD ' /\n DATA GAS_CHEM_SPC( 71 ) / 'xGLY ' /\n DATA GAS_CHEM_SPC( 72 ) / 'xMEK ' /\n DATA GAS_CHEM_SPC( 73 ) / 'xAFG1 ' /\n DATA GAS_CHEM_SPC( 74 ) / 'xAFG2 ' /\n DATA GAS_CHEM_SPC( 75 ) / 'GLY ' /\n DATA GAS_CHEM_SPC( 76 ) / 'AFG1 ' /\n DATA GAS_CHEM_SPC( 77 ) / 'AFG2 ' /\n DATA GAS_CHEM_SPC( 78 ) / 'HCOCO3 ' /\n DATA GAS_CHEM_SPC( 79 ) / 'BACL ' /\n DATA GAS_CHEM_SPC( 80 ) / 'BALD ' /\n DATA GAS_CHEM_SPC( 81 ) / 'AFG3 ' /\n DATA GAS_CHEM_SPC( 82 ) / 'xIPRD ' /\n DATA GAS_CHEM_SPC( 83 ) / 'MACR ' /\n DATA GAS_CHEM_SPC( 84 ) / 'MVK ' /\n DATA GAS_CHEM_SPC( 85 ) / 'xHOCCHO ' /\n DATA GAS_CHEM_SPC( 86 ) / 'xRNO3 ' /\n DATA GAS_CHEM_SPC( 87 ) / 'HOCCHO ' /\n DATA GAS_CHEM_SPC( 88 ) / 'xACETONE ' /\n DATA GAS_CHEM_SPC( 89 ) / 'ACROLEIN ' /\n DATA GAS_CHEM_SPC( 90 ) / 'xBALD ' /\n DATA GAS_CHEM_SPC( 91 ) / 'xAFG3 ' /\n DATA GAS_CHEM_SPC( 92 ) / 'xMACR ' /\n DATA GAS_CHEM_SPC( 93 ) / 'xMVK ' /\n DATA GAS_CHEM_SPC( 94 ) / 'yISOPOOH ' /\n DATA GAS_CHEM_SPC( 95 ) / 'ISOPOOH ' /\n DATA GAS_CHEM_SPC( 96 ) / 'yRAOOH ' /\n DATA GAS_CHEM_SPC( 97 ) / 'xACROLEIN ' /\n DATA GAS_CHEM_SPC( 98 ) / 'ETHENE ' /\n DATA GAS_CHEM_SPC( 99 ) / 'PROPENE ' /\n DATA GAS_CHEM_SPC( 100 ) / 'BUTADIENE13 ' /\n DATA GAS_CHEM_SPC( 101 ) / 'ISOPRENE ' /\n DATA GAS_CHEM_SPC( 102 ) / 'ISOPRXN ' /\n DATA GAS_CHEM_SPC( 103 ) / 'IEPOX ' /\n DATA GAS_CHEM_SPC( 104 ) / 'ARO2MN ' /\n DATA GAS_CHEM_SPC( 105 ) / 'IEPOXOO ' /\n DATA GAS_CHEM_SPC( 106 ) / 'APIN ' /\n DATA GAS_CHEM_SPC( 107 ) / 'TRPRXN ' /\n DATA GAS_CHEM_SPC( 108 ) / 'ACETYLENE ' /\n DATA GAS_CHEM_SPC( 109 ) / 'BENZENE ' /\n DATA GAS_CHEM_SPC( 110 ) / 'BENZRO2 ' /\n DATA GAS_CHEM_SPC( 111 ) / 'TOLUENE ' /\n DATA GAS_CHEM_SPC( 112 ) / 'TOLRO2 ' /\n DATA GAS_CHEM_SPC( 113 ) / 'MXYL ' /\n DATA GAS_CHEM_SPC( 114 ) / 'XYLRO2 ' /\n DATA GAS_CHEM_SPC( 115 ) / 'OXYL ' /\n DATA GAS_CHEM_SPC( 116 ) / 'PXYL ' /\n DATA GAS_CHEM_SPC( 117 ) / 'TMBENZ124 ' /\n DATA GAS_CHEM_SPC( 118 ) / 'ETOH ' /\n DATA GAS_CHEM_SPC( 119 ) / 'ALK1 ' /\n DATA GAS_CHEM_SPC( 120 ) / 'ALK2 ' /\n DATA GAS_CHEM_SPC( 121 ) / 'ALK3 ' /\n DATA GAS_CHEM_SPC( 122 ) / 'ALK4 ' /\n DATA GAS_CHEM_SPC( 123 ) / 'ALK5 ' /\n DATA GAS_CHEM_SPC( 124 ) / 'SOAALK ' /\n DATA GAS_CHEM_SPC( 125 ) / 'ALKRXN ' /\n DATA GAS_CHEM_SPC( 126 ) / 'OLE1 ' /\n DATA GAS_CHEM_SPC( 127 ) / 'OLE2 ' /\n DATA GAS_CHEM_SPC( 128 ) / 'ARO1 ' /\n DATA GAS_CHEM_SPC( 129 ) / 'NAPHTHAL ' /\n DATA GAS_CHEM_SPC( 130 ) / 'PAHRO2 ' /\n DATA GAS_CHEM_SPC( 131 ) / 'TERP ' /\n DATA GAS_CHEM_SPC( 132 ) / 'SESQ ' /\n DATA GAS_CHEM_SPC( 133 ) / 'SESQRXN ' /\n DATA GAS_CHEM_SPC( 134 ) / 'CL2 ' /\n DATA GAS_CHEM_SPC( 135 ) / 'CL ' /\n DATA GAS_CHEM_SPC( 136 ) / 'CLNO ' /\n DATA GAS_CHEM_SPC( 137 ) / 'CLONO ' /\n DATA GAS_CHEM_SPC( 138 ) / 'CLNO2 ' /\n DATA GAS_CHEM_SPC( 139 ) / 'HCL ' /\n DATA GAS_CHEM_SPC( 140 ) / 'CLO ' /\n DATA GAS_CHEM_SPC( 141 ) / 'CLONO2 ' /\n DATA GAS_CHEM_SPC( 142 ) / 'HOCL ' /\n DATA GAS_CHEM_SPC( 143 ) / 'xCL ' /\n DATA GAS_CHEM_SPC( 144 ) / 'xCLCCHO ' /\n DATA GAS_CHEM_SPC( 145 ) / 'xCLACET ' /\n DATA GAS_CHEM_SPC( 146 ) / 'CLCCHO ' /\n DATA GAS_CHEM_SPC( 147 ) / 'CLACET ' /\n DATA GAS_CHEM_SPC( 148 ) / 'CLCHO ' /\n DATA GAS_CHEM_SPC( 149 ) / 'BNZNRXN ' /\n DATA GAS_CHEM_SPC( 150 ) / 'BNZHRXN ' /\n DATA GAS_CHEM_SPC( 151 ) / 'XYLNRXN ' /\n DATA GAS_CHEM_SPC( 152 ) / 'XYLHRXN ' /\n DATA GAS_CHEM_SPC( 153 ) / 'TOLNRXN ' /\n DATA GAS_CHEM_SPC( 154 ) / 'TOLHRXN ' /\n DATA GAS_CHEM_SPC( 155 ) / 'PAHNRXN ' /\n DATA GAS_CHEM_SPC( 156 ) / 'PAHHRXN ' /\n DATA GAS_CHEM_SPC( 157 ) / 'HCHO_PRIMARY ' /\n DATA GAS_CHEM_SPC( 158 ) / 'CCHO_PRIMARY ' /\n DATA GAS_CHEM_SPC( 159 ) / 'ACRO_PRIMARY ' /\n DATA GAS_CHEM_SPC( 160 ) / 'H2NO3PIJ ' /\n DATA GAS_CHEM_SPC( 161 ) / 'H2NO3PK ' /\n DATA GAS_CHEM_SPC( 162 ) / 'PCVOC ' /\n DATA GAS_CHEM_SPC( 163 ) / 'PCSOARXN ' /\n DATA GAS_CHEM_SPC( 164 ) / 'VLVPO1 ' /\n DATA GAS_CHEM_SPC( 165 ) / 'VSVPO1 ' /\n DATA GAS_CHEM_SPC( 166 ) / 'VSVPO2 ' /\n DATA GAS_CHEM_SPC( 167 ) / 'VSVPO3 ' /\n DATA GAS_CHEM_SPC( 168 ) / 'VIVPO1 ' /\n DATA GAS_CHEM_SPC( 169 ) / 'VLVOO1 ' /\n DATA GAS_CHEM_SPC( 170 ) / 'VLVOO2 ' /\n DATA GAS_CHEM_SPC( 171 ) / 'VSVOO2 ' /\n DATA GAS_CHEM_SPC( 172 ) / 'VSVOO3 ' /\n DATA GAS_CHEM_SPC( 173 ) / 'VSVOO1 ' /\n\n\n\n\n LOGICAL :: HALOGEN_PARAMETER = .TRUE. \n\n\n! The below character and integer arrays list the model species names used in the \n! chemical mechanism. The gas species and their order should agree with \n! the GC_SPC array for the gas phase chemistry to work correctly. \n! If present, the CHEMISTRY_SPC names and species type should agree with the CGRID_SPCS module\n\n\n! MAPPED_TO_CGRID declares whether CMAQ namelists were used to determine \n! the below values of CGRID_INDEX, SPECIES_TYPE, SPECIES_MOLWT, and CONVERT_CONC\n LOGICAL, PARAMETER, PRIVATE :: F = .FALSE.\n LOGICAL, PARAMETER, PRIVATE :: T = .TRUE.\n\n\n LOGICAL :: MAPPED_TO_CGRID = .FALSE. \n\n TYPE MEMBER\n CHARACTER( 16 ) :: CHEMISTRY_SPC\n INTEGER :: CGRID_INDEX\n CHARACTER( 2 ) :: SPECIES_TYPE\n REAL( 8 ) :: SPECIES_MOLWT\n LOGICAL :: CONVERT_CONC\n END TYPE MEMBER\n TYPE( MEMBER ) :: SPECIES_LIST( NUMB_MECH_SPC ) = (/ &\n & MEMBER(\"NO2 \", 1, \"GC\", 46.00D0, F), &\n & MEMBER(\"NO \", 2, \"GC\", 30.00D0, F), &\n & MEMBER(\"O3P \", 3, \"GC\", 16.00D0, F), &\n & MEMBER(\"O3 \", 4, \"GC\", 48.00D0, F), &\n & MEMBER(\"NO3 \", 5, \"GC\", 62.00D0, F), &\n & MEMBER(\"N2O5 \", 6, \"GC\", 108.00D0, F), &\n & MEMBER(\"HNO3 \", 7, \"GC\", 63.00D0, F), &\n & MEMBER(\"O1D \", 8, \"GC\", 16.00D0, F), &\n & MEMBER(\"OH \", 9, \"GC\", 17.00D0, F), &\n & MEMBER(\"HONO \", 10, \"GC\", 47.00D0, F), &\n & MEMBER(\"HO2 \", 11, \"GC\", 33.00D0, F), &\n & MEMBER(\"CO \", 12, \"GC\", 28.00D0, F), &\n & MEMBER(\"CO2 \", 13, \"GC\", 44.00D0, F), &\n & MEMBER(\"HNO4 \", 14, \"GC\", 79.00D0, F), &\n & MEMBER(\"HO2H \", 15, \"GC\", 34.00D0, F), &\n & MEMBER(\"SO2 \", 16, \"GC\", 64.10D0, F), &\n & MEMBER(\"SULF \", 17, \"GC\", 98.10D0, F), &\n & MEMBER(\"SULRXN \", 18, \"GC\", 98.10D0, F), &\n & MEMBER(\"MEO2 \", 19, \"GC\", 47.00D0, F), &\n & MEMBER(\"HCHO \", 20, \"GC\", 30.00D0, F), &\n & MEMBER(\"COOH \", 21, \"GC\", 48.00D0, F), &\n & MEMBER(\"MEOH \", 22, \"GC\", 32.00D0, F), &\n & MEMBER(\"RO2C \", 23, \"GC\", 1.00D0, F), &\n & MEMBER(\"RO2XC \", 24, \"GC\", 1.00D0, F), &\n & MEMBER(\"MECO3 \", 25, \"GC\", 75.00D0, F), &\n & MEMBER(\"PAN \", 26, \"GC\", 121.10D0, F), &\n & MEMBER(\"CCOOOH \", 27, \"GC\", 76.00D0, F), &\n & MEMBER(\"CCOOH \", 28, \"GC\", 60.10D0, F), &\n & MEMBER(\"RCO3 \", 29, \"GC\", 89.10D0, F), &\n & MEMBER(\"PAN2 \", 30, \"GC\", 135.10D0, F), &\n & MEMBER(\"xHO2 \", 31, \"GC\", 33.00D0, F), &\n & MEMBER(\"yROOH \", 32, \"GC\", 76.10D0, F), &\n & MEMBER(\"xCCHO \", 33, \"GC\", 44.10D0, F), &\n & MEMBER(\"RCOOOH \", 34, \"GC\", 74.10D0, F), &\n & MEMBER(\"RCOOH \", 35, \"GC\", 74.10D0, F), &\n & MEMBER(\"BZCO3 \", 36, \"GC\", 137.10D0, F), &\n & MEMBER(\"PBZN \", 37, \"GC\", 183.10D0, F), &\n & MEMBER(\"BZO \", 38, \"GC\", 93.00D0, F), &\n & MEMBER(\"MACO3 \", 39, \"GC\", 101.10D0, F), &\n & MEMBER(\"MAPAN \", 40, \"GC\", 147.10D0, F), &\n & MEMBER(\"TBUO \", 41, \"GC\", 73.00D0, F), &\n & MEMBER(\"RNO3 \", 42, \"GC\", 147.20D0, F), &\n & MEMBER(\"ACETONE \", 43, \"GC\", 58.10D0, F), &\n & MEMBER(\"NPHE \", 44, \"GC\", 139.10D0, F), &\n & MEMBER(\"CRES \", 45, \"GC\", 108.10D0, F), &\n & MEMBER(\"xOH \", 46, \"GC\", 17.00D0, F), &\n & MEMBER(\"xNO2 \", 47, \"GC\", 46.00D0, F), &\n & MEMBER(\"xMEO2 \", 48, \"GC\", 47.00D0, F), &\n & MEMBER(\"xMECO3 \", 49, \"GC\", 75.00D0, F), &\n & MEMBER(\"xRCO3 \", 50, \"GC\", 89.10D0, F), &\n & MEMBER(\"xMACO3 \", 51, \"GC\", 101.10D0, F), &\n & MEMBER(\"xTBUO \", 52, \"GC\", 73.00D0, F), &\n & MEMBER(\"xCO \", 53, \"GC\", 28.00D0, F), &\n & MEMBER(\"CCHO \", 54, \"GC\", 44.10D0, F), &\n & MEMBER(\"RCHO \", 55, \"GC\", 58.10D0, F), &\n & MEMBER(\"xHCHO \", 56, \"GC\", 30.00D0, F), &\n & MEMBER(\"MEK \", 57, \"GC\", 72.10D0, F), &\n & MEMBER(\"zRNO3 \", 58, \"GC\", 147.20D0, F), &\n & MEMBER(\"xRCHO \", 59, \"GC\", 58.10D0, F), &\n & MEMBER(\"HCOOH \", 60, \"GC\", 46.00D0, F), &\n & MEMBER(\"xMGLY \", 61, \"GC\", 72.10D0, F), &\n & MEMBER(\"xBACL \", 62, \"GC\", 86.10D0, F), &\n & MEMBER(\"ROOH \", 63, \"GC\", 76.10D0, F), &\n & MEMBER(\"xPROD2 \", 64, \"GC\", 116.20D0, F), &\n & MEMBER(\"R6OOH \", 65, \"GC\", 118.20D0, F), &\n & MEMBER(\"PRD2 \", 69, \"GC\", 116.20D0, F), &\n & MEMBER(\"yR6OOH \", 70, \"GC\", 118.20D0, F), &\n & MEMBER(\"RAOOH \", 72, \"GC\", 188.20D0, F), &\n & MEMBER(\"MGLY \", 73, \"GC\", 72.10D0, F), &\n & MEMBER(\"IPRD \", 74, \"GC\", 100.10D0, F), &\n & MEMBER(\"xGLY \", 75, \"GC\", 58.00D0, F), &\n & MEMBER(\"xMEK \", 76, \"GC\", 72.10D0, F), &\n & MEMBER(\"xAFG1 \", 77, \"GC\", 98.10D0, F), &\n & MEMBER(\"xAFG2 \", 78, \"GC\", 98.10D0, F), &\n & MEMBER(\"GLY \", 79, \"GC\", 58.00D0, F), &\n & MEMBER(\"AFG1 \", 80, \"GC\", 98.10D0, F), &\n & MEMBER(\"AFG2 \", 81, \"GC\", 98.10D0, F), &\n & MEMBER(\"HCOCO3 \", 82, \"GC\", 89.00D0, F), &\n & MEMBER(\"BACL \", 83, \"GC\", 86.10D0, F), &\n & MEMBER(\"BALD \", 84, \"GC\", 106.10D0, F), &\n & MEMBER(\"AFG3 \", 85, \"GC\", 124.10D0, F), &\n & MEMBER(\"xIPRD \", 86, \"GC\", 100.10D0, F), &\n & MEMBER(\"MACR \", 87, \"GC\", 70.10D0, F), &\n & MEMBER(\"MVK \", 88, \"GC\", 70.10D0, F), &\n & MEMBER(\"xHOCCHO \", 89, \"GC\", 60.10D0, F), &\n & MEMBER(\"xRNO3 \", 90, \"GC\", 147.20D0, F), &\n & MEMBER(\"HOCCHO \", 91, \"GC\", 60.10D0, F), &\n & MEMBER(\"xACETONE \", 92, \"GC\", 58.10D0, F), &\n & MEMBER(\"ACROLEIN \", 93, \"GC\", 56.10D0, F), &\n & MEMBER(\"xBALD \", 94, \"GC\", 106.10D0, F), &\n & MEMBER(\"xAFG3 \", 95, \"GC\", 124.70D0, F), &\n & MEMBER(\"xMACR \", 96, \"GC\", 70.10D0, F), &\n & MEMBER(\"xMVK \", 97, \"GC\", 70.10D0, F), &\n & MEMBER(\"yISOPOOH \", 71, \"GC\", 118.20D0, F), &\n & MEMBER(\"ISOPOOH \", 66, \"GC\", 118.20D0, F), &\n & MEMBER(\"yRAOOH \", 98, \"GC\", 188.20D0, F), &\n & MEMBER(\"xACROLEIN \", 99, \"GC\", 56.10D0, F), &\n & MEMBER(\"ETHENE \", 100, \"GC\", 28.10D0, F), &\n & MEMBER(\"PROPENE \", 101, \"GC\", 42.10D0, F), &\n & MEMBER(\"BUTADIENE13 \", 102, \"GC\", 54.10D0, F), &\n & MEMBER(\"ISOPRENE \", 103, \"GC\", 68.10D0, F), &\n & MEMBER(\"ISOPRXN \", 104, \"GC\", 68.00D0, F), &\n & MEMBER(\"IEPOX \", 67, \"GC\", 118.10D0, F), &\n & MEMBER(\"ARO2MN \", 128, \"GC\", 118.70D0, F), &\n & MEMBER(\"IEPOXOO \", 68, \"GC\", 149.10D0, F), &\n & MEMBER(\"APIN \", 105, \"GC\", 136.20D0, F), &\n & MEMBER(\"TRPRXN \", 106, \"GC\", 136.20D0, F), &\n & MEMBER(\"ACETYLENE \", 107, \"GC\", 26.00D0, F), &\n & MEMBER(\"BENZENE \", 108, \"GC\", 78.10D0, F), &\n & MEMBER(\"BENZRO2 \", 109, \"GC\", 159.10D0, F), &\n & MEMBER(\"TOLUENE \", 110, \"GC\", 92.10D0, F), &\n & MEMBER(\"TOLRO2 \", 111, \"GC\", 172.10D0, F), &\n & MEMBER(\"MXYL \", 112, \"GC\", 106.20D0, F), &\n & MEMBER(\"XYLRO2 \", 113, \"GC\", 187.20D0, F), &\n & MEMBER(\"OXYL \", 114, \"GC\", 106.20D0, F), &\n & MEMBER(\"PXYL \", 115, \"GC\", 106.20D0, F), &\n & MEMBER(\"TMBENZ124 \", 116, \"GC\", 120.20D0, F), &\n & MEMBER(\"ETOH \", 117, \"GC\", 46.10D0, F), &\n & MEMBER(\"ALK1 \", 118, \"GC\", 30.10D0, F), &\n & MEMBER(\"ALK2 \", 119, \"GC\", 36.70D0, F), &\n & MEMBER(\"ALK3 \", 120, \"GC\", 58.60D0, F), &\n & MEMBER(\"ALK4 \", 121, \"GC\", 77.60D0, F), &\n & MEMBER(\"ALK5 \", 122, \"GC\", 118.90D0, F), &\n & MEMBER(\"SOAALK \", 123, \"GC\", 112.00D0, F), &\n & MEMBER(\"ALKRXN \", 124, \"GC\", 112.00D0, F), &\n & MEMBER(\"OLE1 \", 125, \"GC\", 72.30D0, F), &\n & MEMBER(\"OLE2 \", 126, \"GC\", 75.80D0, F), &\n & MEMBER(\"ARO1 \", 127, \"GC\", 95.20D0, F), &\n & MEMBER(\"NAPHTHAL \", 129, \"GC\", 118.70D0, F), &\n & MEMBER(\"PAHRO2 \", 130, \"GC\", 187.20D0, F), &\n & MEMBER(\"TERP \", 131, \"GC\", 136.20D0, F), &\n & MEMBER(\"SESQ \", 132, \"GC\", 204.40D0, F), &\n & MEMBER(\"SESQRXN \", 133, \"GC\", 204.40D0, F), &\n & MEMBER(\"CL2 \", 134, \"GC\", 70.00D0, F), &\n & MEMBER(\"CL \", 135, \"GC\", 35.50D0, F), &\n & MEMBER(\"CLNO \", 136, \"GC\", 65.50D0, F), &\n & MEMBER(\"CLONO \", 137, \"GC\", 81.50D0, F), &\n & MEMBER(\"CLNO2 \", 138, \"GC\", 81.50D0, F), &\n & MEMBER(\"HCL \", 139, \"GC\", 36.50D0, F), &\n & MEMBER(\"CLO \", 140, \"GC\", 51.50D0, F), &\n & MEMBER(\"CLONO2 \", 141, \"GC\", 97.50D0, F), &\n & MEMBER(\"HOCL \", 142, \"GC\", 52.50D0, F), &\n & MEMBER(\"xCL \", 143, \"GC\", 35.50D0, F), &\n & MEMBER(\"xCLCCHO \", 144, \"GC\", 78.50D0, F), &\n & MEMBER(\"xCLACET \", 145, \"GC\", 92.50D0, F), &\n & MEMBER(\"CLCCHO \", 146, \"GC\", 78.50D0, F), &\n & MEMBER(\"CLACET \", 147, \"GC\", 92.50D0, F), &\n & MEMBER(\"CLCHO \", 148, \"GC\", 64.50D0, F), &\n & MEMBER(\"BNZNRXN \", 149, \"GC\", 159.10D0, F), &\n & MEMBER(\"BNZHRXN \", 150, \"GC\", 159.10D0, F), &\n & MEMBER(\"XYLNRXN \", 151, \"GC\", 187.20D0, F), &\n & MEMBER(\"XYLHRXN \", 152, \"GC\", 187.20D0, F), &\n & MEMBER(\"TOLNRXN \", 153, \"GC\", 172.10D0, F), &\n & MEMBER(\"TOLHRXN \", 154, \"GC\", 172.10D0, F), &\n & MEMBER(\"PAHNRXN \", 155, \"GC\", 172.10D0, F), &\n & MEMBER(\"PAHHRXN \", 156, \"GC\", 172.10D0, F), &\n & MEMBER(\"HCHO_PRIMARY \", 157, \"GC\", 30.00D0, F), &\n & MEMBER(\"CCHO_PRIMARY \", 158, \"GC\", 44.10D0, F), &\n & MEMBER(\"ACRO_PRIMARY \", 159, \"GC\", 56.10D0, F), &\n & MEMBER(\"H2NO3PIJ \", 160, \"GC\", 64.00D0, F), &\n & MEMBER(\"H2NO3PK \", 161, \"GC\", 64.00D0, F), &\n & MEMBER(\"ACLI \", 186, \"AE\", 35.50D0, T), &\n & MEMBER(\"ACLJ \", 187, \"AE\", 35.50D0, T), &\n & MEMBER(\"ACLK \", 188, \"AE\", 35.50D0, T), &\n & MEMBER(\"AXYL1J \", 191, \"AE\", 174.00D0, T), &\n & MEMBER(\"AOLGAJ \", 238, \"AE\", 206.00D0, T), &\n & MEMBER(\"AXYL2J \", 192, \"AE\", 185.00D0, T), &\n & MEMBER(\"ATOL1J \", 194, \"AE\", 163.00D0, T), &\n & MEMBER(\"ATOL2J \", 195, \"AE\", 175.00D0, T), &\n & MEMBER(\"ABNZ1J \", 197, \"AE\", 161.00D0, T), &\n & MEMBER(\"ABNZ2J \", 198, \"AE\", 134.00D0, T), &\n & MEMBER(\"ATRP1J \", 203, \"AE\", 177.00D0, T), &\n & MEMBER(\"AOLGBJ \", 239, \"AE\", 248.00D0, T), &\n & MEMBER(\"ATRP2J \", 204, \"AE\", 198.00D0, T), &\n & MEMBER(\"AISO1J \", 205, \"AE\", 132.00D0, T), &\n & MEMBER(\"AISO2J \", 206, \"AE\", 133.00D0, T), &\n & MEMBER(\"ASQTJ \", 207, \"AE\", 273.00D0, T), &\n & MEMBER(\"APAH1J \", 200, \"AE\", 195.60D0, T), &\n & MEMBER(\"APAH2J \", 201, \"AE\", 178.70D0, T), &\n & MEMBER(\"AALK1J \", 189, \"AE\", 225.00D0, T), &\n & MEMBER(\"AALK2J \", 190, \"AE\", 205.10D0, T), &\n & MEMBER(\"APOCI \", 240, \"AE\", 220.00D0, T), &\n & MEMBER(\"APNCOMI \", 242, \"AE\", 220.00D0, T), &\n & MEMBER(\"APOCJ \", 241, \"AE\", 220.00D0, T), &\n & MEMBER(\"APNCOMJ \", 243, \"AE\", 220.00D0, T), &\n & MEMBER(\"PCVOC \", 172, \"GC\", 170.00D0, F), &\n & MEMBER(\"PCSOARXN \", 173, \"GC\", 170.00D0, F), &\n & MEMBER(\"VLVPO1 \", 162, \"GC\", 218.00D0, F), &\n & MEMBER(\"VSVPO1 \", 163, \"GC\", 230.00D0, F), &\n & MEMBER(\"VSVPO2 \", 164, \"GC\", 241.00D0, F), &\n & MEMBER(\"VSVPO3 \", 165, \"GC\", 253.00D0, F), &\n & MEMBER(\"VIVPO1 \", 166, \"GC\", 266.00D0, F), &\n & MEMBER(\"VLVOO1 \", 167, \"GC\", 136.00D0, F), &\n & MEMBER(\"VLVOO2 \", 168, \"GC\", 136.00D0, F), &\n & MEMBER(\"VSVOO2 \", 170, \"GC\", 135.00D0, F), &\n & MEMBER(\"VSVOO3 \", 171, \"GC\", 134.00D0, F), &\n & MEMBER(\"VSVOO1 \", 169, \"GC\", 135.00D0, F), &\n & MEMBER(\"AISO3J \", 237, \"AE\", 168.20D0, T) /)\n\n DATA CHEMISTRY_SPC( 1 ), SPECIES_MOLWT( 1 ) / 'NO2 ', 46.00D0 /\n DATA CHEMISTRY_SPC( 2 ), SPECIES_MOLWT( 2 ) / 'NO ', 30.00D0 /\n DATA CHEMISTRY_SPC( 3 ), SPECIES_MOLWT( 3 ) / 'O3P ', 16.00D0 /\n DATA CHEMISTRY_SPC( 4 ), SPECIES_MOLWT( 4 ) / 'O3 ', 48.00D0 /\n DATA CHEMISTRY_SPC( 5 ), SPECIES_MOLWT( 5 ) / 'NO3 ', 62.00D0 /\n DATA CHEMISTRY_SPC( 6 ), SPECIES_MOLWT( 6 ) / 'N2O5 ', 108.00D0 /\n DATA CHEMISTRY_SPC( 7 ), SPECIES_MOLWT( 7 ) / 'HNO3 ', 63.00D0 /\n DATA CHEMISTRY_SPC( 8 ), SPECIES_MOLWT( 8 ) / 'O1D ', 16.00D0 /\n DATA CHEMISTRY_SPC( 9 ), SPECIES_MOLWT( 9 ) / 'OH ', 17.00D0 /\n DATA CHEMISTRY_SPC( 10 ), SPECIES_MOLWT( 10 ) / 'HONO ', 47.00D0 /\n DATA CHEMISTRY_SPC( 11 ), SPECIES_MOLWT( 11 ) / 'HO2 ', 33.00D0 /\n DATA CHEMISTRY_SPC( 12 ), SPECIES_MOLWT( 12 ) / 'CO ', 28.00D0 /\n DATA CHEMISTRY_SPC( 13 ), SPECIES_MOLWT( 13 ) / 'CO2 ', 44.00D0 /\n DATA CHEMISTRY_SPC( 14 ), SPECIES_MOLWT( 14 ) / 'HNO4 ', 79.00D0 /\n DATA CHEMISTRY_SPC( 15 ), SPECIES_MOLWT( 15 ) / 'HO2H ', 34.00D0 /\n DATA CHEMISTRY_SPC( 16 ), SPECIES_MOLWT( 16 ) / 'SO2 ', 64.10D0 /\n DATA CHEMISTRY_SPC( 17 ), SPECIES_MOLWT( 17 ) / 'SULF ', 98.10D0 /\n DATA CHEMISTRY_SPC( 18 ), SPECIES_MOLWT( 18 ) / 'SULRXN ', 98.10D0 /\n DATA CHEMISTRY_SPC( 19 ), SPECIES_MOLWT( 19 ) / 'MEO2 ', 47.00D0 /\n DATA CHEMISTRY_SPC( 20 ), SPECIES_MOLWT( 20 ) / 'HCHO ', 30.00D0 /\n DATA CHEMISTRY_SPC( 21 ), SPECIES_MOLWT( 21 ) / 'COOH ', 48.00D0 /\n DATA CHEMISTRY_SPC( 22 ), SPECIES_MOLWT( 22 ) / 'MEOH ', 32.00D0 /\n DATA CHEMISTRY_SPC( 23 ), SPECIES_MOLWT( 23 ) / 'RO2C ', 1.00D0 /\n DATA CHEMISTRY_SPC( 24 ), SPECIES_MOLWT( 24 ) / 'RO2XC ', 1.00D0 /\n DATA CHEMISTRY_SPC( 25 ), SPECIES_MOLWT( 25 ) / 'MECO3 ', 75.00D0 /\n DATA CHEMISTRY_SPC( 26 ), SPECIES_MOLWT( 26 ) / 'PAN ', 121.10D0 /\n DATA CHEMISTRY_SPC( 27 ), SPECIES_MOLWT( 27 ) / 'CCOOOH ', 76.00D0 /\n DATA CHEMISTRY_SPC( 28 ), SPECIES_MOLWT( 28 ) / 'CCOOH ', 60.10D0 /\n DATA CHEMISTRY_SPC( 29 ), SPECIES_MOLWT( 29 ) / 'RCO3 ', 89.10D0 /\n DATA CHEMISTRY_SPC( 30 ), SPECIES_MOLWT( 30 ) / 'PAN2 ', 135.10D0 /\n DATA CHEMISTRY_SPC( 31 ), SPECIES_MOLWT( 31 ) / 'xHO2 ', 33.00D0 /\n DATA CHEMISTRY_SPC( 32 ), SPECIES_MOLWT( 32 ) / 'yROOH ', 76.10D0 /\n DATA CHEMISTRY_SPC( 33 ), SPECIES_MOLWT( 33 ) / 'xCCHO ', 44.10D0 /\n DATA CHEMISTRY_SPC( 34 ), SPECIES_MOLWT( 34 ) / 'RCOOOH ', 74.10D0 /\n DATA CHEMISTRY_SPC( 35 ), SPECIES_MOLWT( 35 ) / 'RCOOH ', 74.10D0 /\n DATA CHEMISTRY_SPC( 36 ), SPECIES_MOLWT( 36 ) / 'BZCO3 ', 137.10D0 /\n DATA CHEMISTRY_SPC( 37 ), SPECIES_MOLWT( 37 ) / 'PBZN ', 183.10D0 /\n DATA CHEMISTRY_SPC( 38 ), SPECIES_MOLWT( 38 ) / 'BZO ', 93.00D0 /\n DATA CHEMISTRY_SPC( 39 ), SPECIES_MOLWT( 39 ) / 'MACO3 ', 101.10D0 /\n DATA CHEMISTRY_SPC( 40 ), SPECIES_MOLWT( 40 ) / 'MAPAN ', 147.10D0 /\n DATA CHEMISTRY_SPC( 41 ), SPECIES_MOLWT( 41 ) / 'TBUO ', 73.00D0 /\n DATA CHEMISTRY_SPC( 42 ), SPECIES_MOLWT( 42 ) / 'RNO3 ', 147.20D0 /\n DATA CHEMISTRY_SPC( 43 ), SPECIES_MOLWT( 43 ) / 'ACETONE ', 58.10D0 /\n DATA CHEMISTRY_SPC( 44 ), SPECIES_MOLWT( 44 ) / 'NPHE ', 139.10D0 /\n DATA CHEMISTRY_SPC( 45 ), SPECIES_MOLWT( 45 ) / 'CRES ', 108.10D0 /\n DATA CHEMISTRY_SPC( 46 ), SPECIES_MOLWT( 46 ) / 'xOH ', 17.00D0 /\n DATA CHEMISTRY_SPC( 47 ), SPECIES_MOLWT( 47 ) / 'xNO2 ', 46.00D0 /\n DATA CHEMISTRY_SPC( 48 ), SPECIES_MOLWT( 48 ) / 'xMEO2 ', 47.00D0 /\n DATA CHEMISTRY_SPC( 49 ), SPECIES_MOLWT( 49 ) / 'xMECO3 ', 75.00D0 /\n DATA CHEMISTRY_SPC( 50 ), SPECIES_MOLWT( 50 ) / 'xRCO3 ', 89.10D0 /\n DATA CHEMISTRY_SPC( 51 ), SPECIES_MOLWT( 51 ) / 'xMACO3 ', 101.10D0 /\n DATA CHEMISTRY_SPC( 52 ), SPECIES_MOLWT( 52 ) / 'xTBUO ', 73.00D0 /\n DATA CHEMISTRY_SPC( 53 ), SPECIES_MOLWT( 53 ) / 'xCO ', 28.00D0 /\n DATA CHEMISTRY_SPC( 54 ), SPECIES_MOLWT( 54 ) / 'CCHO ', 44.10D0 /\n DATA CHEMISTRY_SPC( 55 ), SPECIES_MOLWT( 55 ) / 'RCHO ', 58.10D0 /\n DATA CHEMISTRY_SPC( 56 ), SPECIES_MOLWT( 56 ) / 'xHCHO ', 30.00D0 /\n DATA CHEMISTRY_SPC( 57 ), SPECIES_MOLWT( 57 ) / 'MEK ', 72.10D0 /\n DATA CHEMISTRY_SPC( 58 ), SPECIES_MOLWT( 58 ) / 'zRNO3 ', 147.20D0 /\n DATA CHEMISTRY_SPC( 59 ), SPECIES_MOLWT( 59 ) / 'xRCHO ', 58.10D0 /\n DATA CHEMISTRY_SPC( 60 ), SPECIES_MOLWT( 60 ) / 'HCOOH ', 46.00D0 /\n DATA CHEMISTRY_SPC( 61 ), SPECIES_MOLWT( 61 ) / 'xMGLY ', 72.10D0 /\n DATA CHEMISTRY_SPC( 62 ), SPECIES_MOLWT( 62 ) / 'xBACL ', 86.10D0 /\n DATA CHEMISTRY_SPC( 63 ), SPECIES_MOLWT( 63 ) / 'ROOH ', 76.10D0 /\n DATA CHEMISTRY_SPC( 64 ), SPECIES_MOLWT( 64 ) / 'xPROD2 ', 116.20D0 /\n DATA CHEMISTRY_SPC( 65 ), SPECIES_MOLWT( 65 ) / 'R6OOH ', 118.20D0 /\n DATA CHEMISTRY_SPC( 66 ), SPECIES_MOLWT( 66 ) / 'PRD2 ', 116.20D0 /\n DATA CHEMISTRY_SPC( 67 ), SPECIES_MOLWT( 67 ) / 'yR6OOH ', 118.20D0 /\n DATA CHEMISTRY_SPC( 68 ), SPECIES_MOLWT( 68 ) / 'RAOOH ', 188.20D0 /\n DATA CHEMISTRY_SPC( 69 ), SPECIES_MOLWT( 69 ) / 'MGLY ', 72.10D0 /\n DATA CHEMISTRY_SPC( 70 ), SPECIES_MOLWT( 70 ) / 'IPRD ', 100.10D0 /\n DATA CHEMISTRY_SPC( 71 ), SPECIES_MOLWT( 71 ) / 'xGLY ', 58.00D0 /\n DATA CHEMISTRY_SPC( 72 ), SPECIES_MOLWT( 72 ) / 'xMEK ', 72.10D0 /\n DATA CHEMISTRY_SPC( 73 ), SPECIES_MOLWT( 73 ) / 'xAFG1 ', 98.10D0 /\n DATA CHEMISTRY_SPC( 74 ), SPECIES_MOLWT( 74 ) / 'xAFG2 ', 98.10D0 /\n DATA CHEMISTRY_SPC( 75 ), SPECIES_MOLWT( 75 ) / 'GLY ', 58.00D0 /\n DATA CHEMISTRY_SPC( 76 ), SPECIES_MOLWT( 76 ) / 'AFG1 ', 98.10D0 /\n DATA CHEMISTRY_SPC( 77 ), SPECIES_MOLWT( 77 ) / 'AFG2 ', 98.10D0 /\n DATA CHEMISTRY_SPC( 78 ), SPECIES_MOLWT( 78 ) / 'HCOCO3 ', 89.00D0 /\n DATA CHEMISTRY_SPC( 79 ), SPECIES_MOLWT( 79 ) / 'BACL ', 86.10D0 /\n DATA CHEMISTRY_SPC( 80 ), SPECIES_MOLWT( 80 ) / 'BALD ', 106.10D0 /\n DATA CHEMISTRY_SPC( 81 ), SPECIES_MOLWT( 81 ) / 'AFG3 ', 124.10D0 /\n DATA CHEMISTRY_SPC( 82 ), SPECIES_MOLWT( 82 ) / 'xIPRD ', 100.10D0 /\n DATA CHEMISTRY_SPC( 83 ), SPECIES_MOLWT( 83 ) / 'MACR ', 70.10D0 /\n DATA CHEMISTRY_SPC( 84 ), SPECIES_MOLWT( 84 ) / 'MVK ', 70.10D0 /\n DATA CHEMISTRY_SPC( 85 ), SPECIES_MOLWT( 85 ) / 'xHOCCHO ', 60.10D0 /\n DATA CHEMISTRY_SPC( 86 ), SPECIES_MOLWT( 86 ) / 'xRNO3 ', 147.20D0 /\n DATA CHEMISTRY_SPC( 87 ), SPECIES_MOLWT( 87 ) / 'HOCCHO ', 60.10D0 /\n DATA CHEMISTRY_SPC( 88 ), SPECIES_MOLWT( 88 ) / 'xACETONE ', 58.10D0 /\n DATA CHEMISTRY_SPC( 89 ), SPECIES_MOLWT( 89 ) / 'ACROLEIN ', 56.10D0 /\n DATA CHEMISTRY_SPC( 90 ), SPECIES_MOLWT( 90 ) / 'xBALD ', 106.10D0 /\n DATA CHEMISTRY_SPC( 91 ), SPECIES_MOLWT( 91 ) / 'xAFG3 ', 124.70D0 /\n DATA CHEMISTRY_SPC( 92 ), SPECIES_MOLWT( 92 ) / 'xMACR ', 70.10D0 /\n DATA CHEMISTRY_SPC( 93 ), SPECIES_MOLWT( 93 ) / 'xMVK ', 70.10D0 /\n DATA CHEMISTRY_SPC( 94 ), SPECIES_MOLWT( 94 ) / 'yISOPOOH ', 118.20D0 /\n DATA CHEMISTRY_SPC( 95 ), SPECIES_MOLWT( 95 ) / 'ISOPOOH ', 118.20D0 /\n DATA CHEMISTRY_SPC( 96 ), SPECIES_MOLWT( 96 ) / 'yRAOOH ', 188.20D0 /\n DATA CHEMISTRY_SPC( 97 ), SPECIES_MOLWT( 97 ) / 'xACROLEIN ', 56.10D0 /\n DATA CHEMISTRY_SPC( 98 ), SPECIES_MOLWT( 98 ) / 'ETHENE ', 28.10D0 /\n DATA CHEMISTRY_SPC( 99 ), SPECIES_MOLWT( 99 ) / 'PROPENE ', 42.10D0 /\n DATA CHEMISTRY_SPC( 100 ), SPECIES_MOLWT( 100 ) / 'BUTADIENE13 ', 54.10D0 /\n DATA CHEMISTRY_SPC( 101 ), SPECIES_MOLWT( 101 ) / 'ISOPRENE ', 68.10D0 /\n DATA CHEMISTRY_SPC( 102 ), SPECIES_MOLWT( 102 ) / 'ISOPRXN ', 68.00D0 /\n DATA CHEMISTRY_SPC( 103 ), SPECIES_MOLWT( 103 ) / 'IEPOX ', 118.10D0 /\n DATA CHEMISTRY_SPC( 104 ), SPECIES_MOLWT( 104 ) / 'ARO2MN ', 118.70D0 /\n DATA CHEMISTRY_SPC( 105 ), SPECIES_MOLWT( 105 ) / 'IEPOXOO ', 149.10D0 /\n DATA CHEMISTRY_SPC( 106 ), SPECIES_MOLWT( 106 ) / 'APIN ', 136.20D0 /\n DATA CHEMISTRY_SPC( 107 ), SPECIES_MOLWT( 107 ) / 'TRPRXN ', 136.20D0 /\n DATA CHEMISTRY_SPC( 108 ), SPECIES_MOLWT( 108 ) / 'ACETYLENE ', 26.00D0 /\n DATA CHEMISTRY_SPC( 109 ), SPECIES_MOLWT( 109 ) / 'BENZENE ', 78.10D0 /\n DATA CHEMISTRY_SPC( 110 ), SPECIES_MOLWT( 110 ) / 'BENZRO2 ', 159.10D0 /\n DATA CHEMISTRY_SPC( 111 ), SPECIES_MOLWT( 111 ) / 'TOLUENE ', 92.10D0 /\n DATA CHEMISTRY_SPC( 112 ), SPECIES_MOLWT( 112 ) / 'TOLRO2 ', 172.10D0 /\n DATA CHEMISTRY_SPC( 113 ), SPECIES_MOLWT( 113 ) / 'MXYL ', 106.20D0 /\n DATA CHEMISTRY_SPC( 114 ), SPECIES_MOLWT( 114 ) / 'XYLRO2 ', 187.20D0 /\n DATA CHEMISTRY_SPC( 115 ), SPECIES_MOLWT( 115 ) / 'OXYL ', 106.20D0 /\n DATA CHEMISTRY_SPC( 116 ), SPECIES_MOLWT( 116 ) / 'PXYL ', 106.20D0 /\n DATA CHEMISTRY_SPC( 117 ), SPECIES_MOLWT( 117 ) / 'TMBENZ124 ', 120.20D0 /\n DATA CHEMISTRY_SPC( 118 ), SPECIES_MOLWT( 118 ) / 'ETOH ', 46.10D0 /\n DATA CHEMISTRY_SPC( 119 ), SPECIES_MOLWT( 119 ) / 'ALK1 ', 30.10D0 /\n DATA CHEMISTRY_SPC( 120 ), SPECIES_MOLWT( 120 ) / 'ALK2 ', 36.70D0 /\n DATA CHEMISTRY_SPC( 121 ), SPECIES_MOLWT( 121 ) / 'ALK3 ', 58.60D0 /\n DATA CHEMISTRY_SPC( 122 ), SPECIES_MOLWT( 122 ) / 'ALK4 ', 77.60D0 /\n DATA CHEMISTRY_SPC( 123 ), SPECIES_MOLWT( 123 ) / 'ALK5 ', 118.90D0 /\n DATA CHEMISTRY_SPC( 124 ), SPECIES_MOLWT( 124 ) / 'SOAALK ', 112.00D0 /\n DATA CHEMISTRY_SPC( 125 ), SPECIES_MOLWT( 125 ) / 'ALKRXN ', 112.00D0 /\n DATA CHEMISTRY_SPC( 126 ), SPECIES_MOLWT( 126 ) / 'OLE1 ', 72.30D0 /\n DATA CHEMISTRY_SPC( 127 ), SPECIES_MOLWT( 127 ) / 'OLE2 ', 75.80D0 /\n DATA CHEMISTRY_SPC( 128 ), SPECIES_MOLWT( 128 ) / 'ARO1 ', 95.20D0 /\n DATA CHEMISTRY_SPC( 129 ), SPECIES_MOLWT( 129 ) / 'NAPHTHAL ', 118.70D0 /\n DATA CHEMISTRY_SPC( 130 ), SPECIES_MOLWT( 130 ) / 'PAHRO2 ', 187.20D0 /\n DATA CHEMISTRY_SPC( 131 ), SPECIES_MOLWT( 131 ) / 'TERP ', 136.20D0 /\n DATA CHEMISTRY_SPC( 132 ), SPECIES_MOLWT( 132 ) / 'SESQ ', 204.40D0 /\n DATA CHEMISTRY_SPC( 133 ), SPECIES_MOLWT( 133 ) / 'SESQRXN ', 204.40D0 /\n DATA CHEMISTRY_SPC( 134 ), SPECIES_MOLWT( 134 ) / 'CL2 ', 70.00D0 /\n DATA CHEMISTRY_SPC( 135 ), SPECIES_MOLWT( 135 ) / 'CL ', 35.50D0 /\n DATA CHEMISTRY_SPC( 136 ), SPECIES_MOLWT( 136 ) / 'CLNO ', 65.50D0 /\n DATA CHEMISTRY_SPC( 137 ), SPECIES_MOLWT( 137 ) / 'CLONO ', 81.50D0 /\n DATA CHEMISTRY_SPC( 138 ), SPECIES_MOLWT( 138 ) / 'CLNO2 ', 81.50D0 /\n DATA CHEMISTRY_SPC( 139 ), SPECIES_MOLWT( 139 ) / 'HCL ', 36.50D0 /\n DATA CHEMISTRY_SPC( 140 ), SPECIES_MOLWT( 140 ) / 'CLO ', 51.50D0 /\n DATA CHEMISTRY_SPC( 141 ), SPECIES_MOLWT( 141 ) / 'CLONO2 ', 97.50D0 /\n DATA CHEMISTRY_SPC( 142 ), SPECIES_MOLWT( 142 ) / 'HOCL ', 52.50D0 /\n DATA CHEMISTRY_SPC( 143 ), SPECIES_MOLWT( 143 ) / 'xCL ', 35.50D0 /\n DATA CHEMISTRY_SPC( 144 ), SPECIES_MOLWT( 144 ) / 'xCLCCHO ', 78.50D0 /\n DATA CHEMISTRY_SPC( 145 ), SPECIES_MOLWT( 145 ) / 'xCLACET ', 92.50D0 /\n DATA CHEMISTRY_SPC( 146 ), SPECIES_MOLWT( 146 ) / 'CLCCHO ', 78.50D0 /\n DATA CHEMISTRY_SPC( 147 ), SPECIES_MOLWT( 147 ) / 'CLACET ', 92.50D0 /\n DATA CHEMISTRY_SPC( 148 ), SPECIES_MOLWT( 148 ) / 'CLCHO ', 64.50D0 /\n DATA CHEMISTRY_SPC( 149 ), SPECIES_MOLWT( 149 ) / 'BNZNRXN ', 159.10D0 /\n DATA CHEMISTRY_SPC( 150 ), SPECIES_MOLWT( 150 ) / 'BNZHRXN ', 159.10D0 /\n DATA CHEMISTRY_SPC( 151 ), SPECIES_MOLWT( 151 ) / 'XYLNRXN ', 187.20D0 /\n DATA CHEMISTRY_SPC( 152 ), SPECIES_MOLWT( 152 ) / 'XYLHRXN ', 187.20D0 /\n DATA CHEMISTRY_SPC( 153 ), SPECIES_MOLWT( 153 ) / 'TOLNRXN ', 172.10D0 /\n DATA CHEMISTRY_SPC( 154 ), SPECIES_MOLWT( 154 ) / 'TOLHRXN ', 172.10D0 /\n DATA CHEMISTRY_SPC( 155 ), SPECIES_MOLWT( 155 ) / 'PAHNRXN ', 172.10D0 /\n DATA CHEMISTRY_SPC( 156 ), SPECIES_MOLWT( 156 ) / 'PAHHRXN ', 172.10D0 /\n DATA CHEMISTRY_SPC( 157 ), SPECIES_MOLWT( 157 ) / 'HCHO_PRIMARY ', 30.00D0 /\n DATA CHEMISTRY_SPC( 158 ), SPECIES_MOLWT( 158 ) / 'CCHO_PRIMARY ', 44.10D0 /\n DATA CHEMISTRY_SPC( 159 ), SPECIES_MOLWT( 159 ) / 'ACRO_PRIMARY ', 56.10D0 /\n DATA CHEMISTRY_SPC( 160 ), SPECIES_MOLWT( 160 ) / 'H2NO3PIJ ', 64.00D0 /\n DATA CHEMISTRY_SPC( 161 ), SPECIES_MOLWT( 161 ) / 'H2NO3PK ', 64.00D0 /\n DATA CHEMISTRY_SPC( 162 ), SPECIES_MOLWT( 162 ) / 'ACLI ', 35.50D0 /\n DATA CHEMISTRY_SPC( 163 ), SPECIES_MOLWT( 163 ) / 'ACLJ ', 35.50D0 /\n DATA CHEMISTRY_SPC( 164 ), SPECIES_MOLWT( 164 ) / 'ACLK ', 35.50D0 /\n DATA CHEMISTRY_SPC( 165 ), SPECIES_MOLWT( 165 ) / 'AXYL1J ', 174.00D0 /\n DATA CHEMISTRY_SPC( 166 ), SPECIES_MOLWT( 166 ) / 'AOLGAJ ', 206.00D0 /\n DATA CHEMISTRY_SPC( 167 ), SPECIES_MOLWT( 167 ) / 'AXYL2J ', 185.00D0 /\n DATA CHEMISTRY_SPC( 168 ), SPECIES_MOLWT( 168 ) / 'ATOL1J ', 163.00D0 /\n DATA CHEMISTRY_SPC( 169 ), SPECIES_MOLWT( 169 ) / 'ATOL2J ', 175.00D0 /\n DATA CHEMISTRY_SPC( 170 ), SPECIES_MOLWT( 170 ) / 'ABNZ1J ', 161.00D0 /\n DATA CHEMISTRY_SPC( 171 ), SPECIES_MOLWT( 171 ) / 'ABNZ2J ', 134.00D0 /\n DATA CHEMISTRY_SPC( 172 ), SPECIES_MOLWT( 172 ) / 'ATRP1J ', 177.00D0 /\n DATA CHEMISTRY_SPC( 173 ), SPECIES_MOLWT( 173 ) / 'AOLGBJ ', 248.00D0 /\n DATA CHEMISTRY_SPC( 174 ), SPECIES_MOLWT( 174 ) / 'ATRP2J ', 198.00D0 /\n DATA CHEMISTRY_SPC( 175 ), SPECIES_MOLWT( 175 ) / 'AISO1J ', 132.00D0 /\n DATA CHEMISTRY_SPC( 176 ), SPECIES_MOLWT( 176 ) / 'AISO2J ', 133.00D0 /\n DATA CHEMISTRY_SPC( 177 ), SPECIES_MOLWT( 177 ) / 'ASQTJ ', 273.00D0 /\n DATA CHEMISTRY_SPC( 178 ), SPECIES_MOLWT( 178 ) / 'APAH1J ', 195.60D0 /\n DATA CHEMISTRY_SPC( 179 ), SPECIES_MOLWT( 179 ) / 'APAH2J ', 178.70D0 /\n DATA CHEMISTRY_SPC( 180 ), SPECIES_MOLWT( 180 ) / 'AALK1J ', 225.00D0 /\n DATA CHEMISTRY_SPC( 181 ), SPECIES_MOLWT( 181 ) / 'AALK2J ', 205.10D0 /\n DATA CHEMISTRY_SPC( 182 ), SPECIES_MOLWT( 182 ) / 'APOCI ', 220.00D0 /\n DATA CHEMISTRY_SPC( 183 ), SPECIES_MOLWT( 183 ) / 'APNCOMI ', 220.00D0 /\n DATA CHEMISTRY_SPC( 184 ), SPECIES_MOLWT( 184 ) / 'APOCJ ', 220.00D0 /\n DATA CHEMISTRY_SPC( 185 ), SPECIES_MOLWT( 185 ) / 'APNCOMJ ', 220.00D0 /\n DATA CHEMISTRY_SPC( 186 ), SPECIES_MOLWT( 186 ) / 'PCVOC ', 170.00D0 /\n DATA CHEMISTRY_SPC( 187 ), SPECIES_MOLWT( 187 ) / 'PCSOARXN ', 170.00D0 /\n DATA CHEMISTRY_SPC( 188 ), SPECIES_MOLWT( 188 ) / 'VLVPO1 ', 218.00D0 /\n DATA CHEMISTRY_SPC( 189 ), SPECIES_MOLWT( 189 ) / 'VSVPO1 ', 230.00D0 /\n DATA CHEMISTRY_SPC( 190 ), SPECIES_MOLWT( 190 ) / 'VSVPO2 ', 241.00D0 /\n DATA CHEMISTRY_SPC( 191 ), SPECIES_MOLWT( 191 ) / 'VSVPO3 ', 253.00D0 /\n DATA CHEMISTRY_SPC( 192 ), SPECIES_MOLWT( 192 ) / 'VIVPO1 ', 266.00D0 /\n DATA CHEMISTRY_SPC( 193 ), SPECIES_MOLWT( 193 ) / 'VLVOO1 ', 136.00D0 /\n DATA CHEMISTRY_SPC( 194 ), SPECIES_MOLWT( 194 ) / 'VLVOO2 ', 136.00D0 /\n DATA CHEMISTRY_SPC( 195 ), SPECIES_MOLWT( 195 ) / 'VSVOO2 ', 135.00D0 /\n DATA CHEMISTRY_SPC( 196 ), SPECIES_MOLWT( 196 ) / 'VSVOO3 ', 134.00D0 /\n DATA CHEMISTRY_SPC( 197 ), SPECIES_MOLWT( 197 ) / 'VSVOO1 ', 135.00D0 /\n DATA CHEMISTRY_SPC( 198 ), SPECIES_MOLWT( 198 ) / 'AISO3J ', 168.20D0 /\n\n\n DATA CGRID_INDEX( 1 ), SPECIES_TYPE( 1 ), CONVERT_CONC( 1 ) / 1, 'GC', F / ! NO2\n DATA CGRID_INDEX( 2 ), SPECIES_TYPE( 2 ), CONVERT_CONC( 2 ) / 2, 'GC', F / ! NO\n DATA CGRID_INDEX( 3 ), SPECIES_TYPE( 3 ), CONVERT_CONC( 3 ) / 3, 'GC', F / ! O3P\n DATA CGRID_INDEX( 4 ), SPECIES_TYPE( 4 ), CONVERT_CONC( 4 ) / 4, 'GC', F / ! O3\n DATA CGRID_INDEX( 5 ), SPECIES_TYPE( 5 ), CONVERT_CONC( 5 ) / 5, 'GC', F / ! NO3\n DATA CGRID_INDEX( 6 ), SPECIES_TYPE( 6 ), CONVERT_CONC( 6 ) / 6, 'GC', F / ! N2O5\n DATA CGRID_INDEX( 7 ), SPECIES_TYPE( 7 ), CONVERT_CONC( 7 ) / 7, 'GC', F / ! HNO3\n DATA CGRID_INDEX( 8 ), SPECIES_TYPE( 8 ), CONVERT_CONC( 8 ) / 8, 'GC', F / ! O1D\n DATA CGRID_INDEX( 9 ), SPECIES_TYPE( 9 ), CONVERT_CONC( 9 ) / 9, 'GC', F / ! OH\n DATA CGRID_INDEX( 10 ), SPECIES_TYPE( 10 ), CONVERT_CONC( 10 ) / 10, 'GC', F / ! HONO\n DATA CGRID_INDEX( 11 ), SPECIES_TYPE( 11 ), CONVERT_CONC( 11 ) / 11, 'GC', F / ! HO2\n DATA CGRID_INDEX( 12 ), SPECIES_TYPE( 12 ), CONVERT_CONC( 12 ) / 12, 'GC', F / ! CO\n DATA CGRID_INDEX( 13 ), SPECIES_TYPE( 13 ), CONVERT_CONC( 13 ) / 13, 'GC', F / ! CO2\n DATA CGRID_INDEX( 14 ), SPECIES_TYPE( 14 ), CONVERT_CONC( 14 ) / 14, 'GC', F / ! HNO4\n DATA CGRID_INDEX( 15 ), SPECIES_TYPE( 15 ), CONVERT_CONC( 15 ) / 15, 'GC', F / ! HO2H\n DATA CGRID_INDEX( 16 ), SPECIES_TYPE( 16 ), CONVERT_CONC( 16 ) / 16, 'GC', F / ! SO2\n DATA CGRID_INDEX( 17 ), SPECIES_TYPE( 17 ), CONVERT_CONC( 17 ) / 17, 'GC', F / ! SULF\n DATA CGRID_INDEX( 18 ), SPECIES_TYPE( 18 ), CONVERT_CONC( 18 ) / 18, 'GC', F / ! SULRXN\n DATA CGRID_INDEX( 19 ), SPECIES_TYPE( 19 ), CONVERT_CONC( 19 ) / 19, 'GC', F / ! MEO2\n DATA CGRID_INDEX( 20 ), SPECIES_TYPE( 20 ), CONVERT_CONC( 20 ) / 20, 'GC', F / ! HCHO\n DATA CGRID_INDEX( 21 ), SPECIES_TYPE( 21 ), CONVERT_CONC( 21 ) / 21, 'GC', F / ! COOH\n DATA CGRID_INDEX( 22 ), SPECIES_TYPE( 22 ), CONVERT_CONC( 22 ) / 22, 'GC', F / ! MEOH\n DATA CGRID_INDEX( 23 ), SPECIES_TYPE( 23 ), CONVERT_CONC( 23 ) / 23, 'GC', F / ! RO2C\n DATA CGRID_INDEX( 24 ), SPECIES_TYPE( 24 ), CONVERT_CONC( 24 ) / 24, 'GC', F / ! RO2XC\n DATA CGRID_INDEX( 25 ), SPECIES_TYPE( 25 ), CONVERT_CONC( 25 ) / 25, 'GC', F / ! MECO3\n DATA CGRID_INDEX( 26 ), SPECIES_TYPE( 26 ), CONVERT_CONC( 26 ) / 26, 'GC', F / ! PAN\n DATA CGRID_INDEX( 27 ), SPECIES_TYPE( 27 ), CONVERT_CONC( 27 ) / 27, 'GC', F / ! CCOOOH\n DATA CGRID_INDEX( 28 ), SPECIES_TYPE( 28 ), CONVERT_CONC( 28 ) / 28, 'GC', F / ! CCOOH\n DATA CGRID_INDEX( 29 ), SPECIES_TYPE( 29 ), CONVERT_CONC( 29 ) / 29, 'GC', F / ! RCO3\n DATA CGRID_INDEX( 30 ), SPECIES_TYPE( 30 ), CONVERT_CONC( 30 ) / 30, 'GC', F / ! PAN2\n DATA CGRID_INDEX( 31 ), SPECIES_TYPE( 31 ), CONVERT_CONC( 31 ) / 31, 'GC', F / ! xHO2\n DATA CGRID_INDEX( 32 ), SPECIES_TYPE( 32 ), CONVERT_CONC( 32 ) / 32, 'GC', F / ! yROOH\n DATA CGRID_INDEX( 33 ), SPECIES_TYPE( 33 ), CONVERT_CONC( 33 ) / 33, 'GC', F / ! xCCHO\n DATA CGRID_INDEX( 34 ), SPECIES_TYPE( 34 ), CONVERT_CONC( 34 ) / 34, 'GC', F / ! RCOOOH\n DATA CGRID_INDEX( 35 ), SPECIES_TYPE( 35 ), CONVERT_CONC( 35 ) / 35, 'GC', F / ! RCOOH\n DATA CGRID_INDEX( 36 ), SPECIES_TYPE( 36 ), CONVERT_CONC( 36 ) / 36, 'GC', F / ! BZCO3\n DATA CGRID_INDEX( 37 ), SPECIES_TYPE( 37 ), CONVERT_CONC( 37 ) / 37, 'GC', F / ! PBZN\n DATA CGRID_INDEX( 38 ), SPECIES_TYPE( 38 ), CONVERT_CONC( 38 ) / 38, 'GC', F / ! BZO\n DATA CGRID_INDEX( 39 ), SPECIES_TYPE( 39 ), CONVERT_CONC( 39 ) / 39, 'GC', F / ! MACO3\n DATA CGRID_INDEX( 40 ), SPECIES_TYPE( 40 ), CONVERT_CONC( 40 ) / 40, 'GC', F / ! MAPAN\n DATA CGRID_INDEX( 41 ), SPECIES_TYPE( 41 ), CONVERT_CONC( 41 ) / 41, 'GC', F / ! TBUO\n DATA CGRID_INDEX( 42 ), SPECIES_TYPE( 42 ), CONVERT_CONC( 42 ) / 42, 'GC', F / ! RNO3\n DATA CGRID_INDEX( 43 ), SPECIES_TYPE( 43 ), CONVERT_CONC( 43 ) / 43, 'GC', F / ! ACETONE\n DATA CGRID_INDEX( 44 ), SPECIES_TYPE( 44 ), CONVERT_CONC( 44 ) / 44, 'GC', F / ! NPHE\n DATA CGRID_INDEX( 45 ), SPECIES_TYPE( 45 ), CONVERT_CONC( 45 ) / 45, 'GC', F / ! CRES\n DATA CGRID_INDEX( 46 ), SPECIES_TYPE( 46 ), CONVERT_CONC( 46 ) / 46, 'GC', F / ! xOH\n DATA CGRID_INDEX( 47 ), SPECIES_TYPE( 47 ), CONVERT_CONC( 47 ) / 47, 'GC', F / ! xNO2\n DATA CGRID_INDEX( 48 ), SPECIES_TYPE( 48 ), CONVERT_CONC( 48 ) / 48, 'GC', F / ! xMEO2\n DATA CGRID_INDEX( 49 ), SPECIES_TYPE( 49 ), CONVERT_CONC( 49 ) / 49, 'GC', F / ! xMECO3\n DATA CGRID_INDEX( 50 ), SPECIES_TYPE( 50 ), CONVERT_CONC( 50 ) / 50, 'GC', F / ! xRCO3\n DATA CGRID_INDEX( 51 ), SPECIES_TYPE( 51 ), CONVERT_CONC( 51 ) / 51, 'GC', F / ! xMACO3\n DATA CGRID_INDEX( 52 ), SPECIES_TYPE( 52 ), CONVERT_CONC( 52 ) / 52, 'GC', F / ! xTBUO\n DATA CGRID_INDEX( 53 ), SPECIES_TYPE( 53 ), CONVERT_CONC( 53 ) / 53, 'GC', F / ! xCO\n DATA CGRID_INDEX( 54 ), SPECIES_TYPE( 54 ), CONVERT_CONC( 54 ) / 54, 'GC', F / ! CCHO\n DATA CGRID_INDEX( 55 ), SPECIES_TYPE( 55 ), CONVERT_CONC( 55 ) / 55, 'GC', F / ! RCHO\n DATA CGRID_INDEX( 56 ), SPECIES_TYPE( 56 ), CONVERT_CONC( 56 ) / 56, 'GC', F / ! xHCHO\n DATA CGRID_INDEX( 57 ), SPECIES_TYPE( 57 ), CONVERT_CONC( 57 ) / 57, 'GC', F / ! MEK\n DATA CGRID_INDEX( 58 ), SPECIES_TYPE( 58 ), CONVERT_CONC( 58 ) / 58, 'GC', F / ! zRNO3\n DATA CGRID_INDEX( 59 ), SPECIES_TYPE( 59 ), CONVERT_CONC( 59 ) / 59, 'GC', F / ! xRCHO\n DATA CGRID_INDEX( 60 ), SPECIES_TYPE( 60 ), CONVERT_CONC( 60 ) / 60, 'GC', F / ! HCOOH\n DATA CGRID_INDEX( 61 ), SPECIES_TYPE( 61 ), CONVERT_CONC( 61 ) / 61, 'GC', F / ! xMGLY\n DATA CGRID_INDEX( 62 ), SPECIES_TYPE( 62 ), CONVERT_CONC( 62 ) / 62, 'GC', F / ! xBACL\n DATA CGRID_INDEX( 63 ), SPECIES_TYPE( 63 ), CONVERT_CONC( 63 ) / 63, 'GC', F / ! ROOH\n DATA CGRID_INDEX( 64 ), SPECIES_TYPE( 64 ), CONVERT_CONC( 64 ) / 64, 'GC', F / ! xPROD2\n DATA CGRID_INDEX( 65 ), SPECIES_TYPE( 65 ), CONVERT_CONC( 65 ) / 65, 'GC', F / ! R6OOH\n DATA CGRID_INDEX( 66 ), SPECIES_TYPE( 66 ), CONVERT_CONC( 66 ) / 69, 'GC', F / ! PRD2\n DATA CGRID_INDEX( 67 ), SPECIES_TYPE( 67 ), CONVERT_CONC( 67 ) / 70, 'GC', F / ! yR6OOH\n DATA CGRID_INDEX( 68 ), SPECIES_TYPE( 68 ), CONVERT_CONC( 68 ) / 72, 'GC', F / ! RAOOH\n DATA CGRID_INDEX( 69 ), SPECIES_TYPE( 69 ), CONVERT_CONC( 69 ) / 73, 'GC', F / ! MGLY\n DATA CGRID_INDEX( 70 ), SPECIES_TYPE( 70 ), CONVERT_CONC( 70 ) / 74, 'GC', F / ! IPRD\n DATA CGRID_INDEX( 71 ), SPECIES_TYPE( 71 ), CONVERT_CONC( 71 ) / 75, 'GC', F / ! xGLY\n DATA CGRID_INDEX( 72 ), SPECIES_TYPE( 72 ), CONVERT_CONC( 72 ) / 76, 'GC', F / ! xMEK\n DATA CGRID_INDEX( 73 ), SPECIES_TYPE( 73 ), CONVERT_CONC( 73 ) / 77, 'GC', F / ! xAFG1\n DATA CGRID_INDEX( 74 ), SPECIES_TYPE( 74 ), CONVERT_CONC( 74 ) / 78, 'GC', F / ! xAFG2\n DATA CGRID_INDEX( 75 ), SPECIES_TYPE( 75 ), CONVERT_CONC( 75 ) / 79, 'GC', F / ! GLY\n DATA CGRID_INDEX( 76 ), SPECIES_TYPE( 76 ), CONVERT_CONC( 76 ) / 80, 'GC', F / ! AFG1\n DATA CGRID_INDEX( 77 ), SPECIES_TYPE( 77 ), CONVERT_CONC( 77 ) / 81, 'GC', F / ! AFG2\n DATA CGRID_INDEX( 78 ), SPECIES_TYPE( 78 ), CONVERT_CONC( 78 ) / 82, 'GC', F / ! HCOCO3\n DATA CGRID_INDEX( 79 ), SPECIES_TYPE( 79 ), CONVERT_CONC( 79 ) / 83, 'GC', F / ! BACL\n DATA CGRID_INDEX( 80 ), SPECIES_TYPE( 80 ), CONVERT_CONC( 80 ) / 84, 'GC', F / ! BALD\n DATA CGRID_INDEX( 81 ), SPECIES_TYPE( 81 ), CONVERT_CONC( 81 ) / 85, 'GC', F / ! AFG3\n DATA CGRID_INDEX( 82 ), SPECIES_TYPE( 82 ), CONVERT_CONC( 82 ) / 86, 'GC', F / ! xIPRD\n DATA CGRID_INDEX( 83 ), SPECIES_TYPE( 83 ), CONVERT_CONC( 83 ) / 87, 'GC', F / ! MACR\n DATA CGRID_INDEX( 84 ), SPECIES_TYPE( 84 ), CONVERT_CONC( 84 ) / 88, 'GC', F / ! MVK\n DATA CGRID_INDEX( 85 ), SPECIES_TYPE( 85 ), CONVERT_CONC( 85 ) / 89, 'GC', F / ! xHOCCHO\n DATA CGRID_INDEX( 86 ), SPECIES_TYPE( 86 ), CONVERT_CONC( 86 ) / 90, 'GC', F / ! xRNO3\n DATA CGRID_INDEX( 87 ), SPECIES_TYPE( 87 ), CONVERT_CONC( 87 ) / 91, 'GC', F / ! HOCCHO\n DATA CGRID_INDEX( 88 ), SPECIES_TYPE( 88 ), CONVERT_CONC( 88 ) / 92, 'GC', F / ! xACETONE\n DATA CGRID_INDEX( 89 ), SPECIES_TYPE( 89 ), CONVERT_CONC( 89 ) / 93, 'GC', F / ! ACROLEIN\n DATA CGRID_INDEX( 90 ), SPECIES_TYPE( 90 ), CONVERT_CONC( 90 ) / 94, 'GC', F / ! xBALD\n DATA CGRID_INDEX( 91 ), SPECIES_TYPE( 91 ), CONVERT_CONC( 91 ) / 95, 'GC', F / ! xAFG3\n DATA CGRID_INDEX( 92 ), SPECIES_TYPE( 92 ), CONVERT_CONC( 92 ) / 96, 'GC', F / ! xMACR\n DATA CGRID_INDEX( 93 ), SPECIES_TYPE( 93 ), CONVERT_CONC( 93 ) / 97, 'GC', F / ! xMVK\n DATA CGRID_INDEX( 94 ), SPECIES_TYPE( 94 ), CONVERT_CONC( 94 ) / 71, 'GC', F / ! yISOPOOH\n DATA CGRID_INDEX( 95 ), SPECIES_TYPE( 95 ), CONVERT_CONC( 95 ) / 66, 'GC', F / ! ISOPOOH\n DATA CGRID_INDEX( 96 ), SPECIES_TYPE( 96 ), CONVERT_CONC( 96 ) / 98, 'GC', F / ! yRAOOH\n DATA CGRID_INDEX( 97 ), SPECIES_TYPE( 97 ), CONVERT_CONC( 97 ) / 99, 'GC', F / ! xACROLEIN\n DATA CGRID_INDEX( 98 ), SPECIES_TYPE( 98 ), CONVERT_CONC( 98 ) / 100, 'GC', F / ! ETHENE\n DATA CGRID_INDEX( 99 ), SPECIES_TYPE( 99 ), CONVERT_CONC( 99 ) / 101, 'GC', F / ! PROPENE\n DATA CGRID_INDEX( 100 ), SPECIES_TYPE( 100 ), CONVERT_CONC( 100 ) / 102, 'GC', F / ! BUTADIENE13\n DATA CGRID_INDEX( 101 ), SPECIES_TYPE( 101 ), CONVERT_CONC( 101 ) / 103, 'GC', F / ! ISOPRENE\n DATA CGRID_INDEX( 102 ), SPECIES_TYPE( 102 ), CONVERT_CONC( 102 ) / 104, 'GC', F / ! ISOPRXN\n DATA CGRID_INDEX( 103 ), SPECIES_TYPE( 103 ), CONVERT_CONC( 103 ) / 67, 'GC', F / ! IEPOX\n DATA CGRID_INDEX( 104 ), SPECIES_TYPE( 104 ), CONVERT_CONC( 104 ) / 128, 'GC', F / ! ARO2MN\n DATA CGRID_INDEX( 105 ), SPECIES_TYPE( 105 ), CONVERT_CONC( 105 ) / 68, 'GC', F / ! IEPOXOO\n DATA CGRID_INDEX( 106 ), SPECIES_TYPE( 106 ), CONVERT_CONC( 106 ) / 105, 'GC', F / ! APIN\n DATA CGRID_INDEX( 107 ), SPECIES_TYPE( 107 ), CONVERT_CONC( 107 ) / 106, 'GC', F / ! TRPRXN\n DATA CGRID_INDEX( 108 ), SPECIES_TYPE( 108 ), CONVERT_CONC( 108 ) / 107, 'GC', F / ! ACETYLENE\n DATA CGRID_INDEX( 109 ), SPECIES_TYPE( 109 ), CONVERT_CONC( 109 ) / 108, 'GC', F / ! BENZENE\n DATA CGRID_INDEX( 110 ), SPECIES_TYPE( 110 ), CONVERT_CONC( 110 ) / 109, 'GC', F / ! BENZRO2\n DATA CGRID_INDEX( 111 ), SPECIES_TYPE( 111 ), CONVERT_CONC( 111 ) / 110, 'GC', F / ! TOLUENE\n DATA CGRID_INDEX( 112 ), SPECIES_TYPE( 112 ), CONVERT_CONC( 112 ) / 111, 'GC', F / ! TOLRO2\n DATA CGRID_INDEX( 113 ), SPECIES_TYPE( 113 ), CONVERT_CONC( 113 ) / 112, 'GC', F / ! MXYL\n DATA CGRID_INDEX( 114 ), SPECIES_TYPE( 114 ), CONVERT_CONC( 114 ) / 113, 'GC', F / ! XYLRO2\n DATA CGRID_INDEX( 115 ), SPECIES_TYPE( 115 ), CONVERT_CONC( 115 ) / 114, 'GC', F / ! OXYL\n DATA CGRID_INDEX( 116 ), SPECIES_TYPE( 116 ), CONVERT_CONC( 116 ) / 115, 'GC', F / ! PXYL\n DATA CGRID_INDEX( 117 ), SPECIES_TYPE( 117 ), CONVERT_CONC( 117 ) / 116, 'GC', F / ! TMBENZ124\n DATA CGRID_INDEX( 118 ), SPECIES_TYPE( 118 ), CONVERT_CONC( 118 ) / 117, 'GC', F / ! ETOH\n DATA CGRID_INDEX( 119 ), SPECIES_TYPE( 119 ), CONVERT_CONC( 119 ) / 118, 'GC', F / ! ALK1\n DATA CGRID_INDEX( 120 ), SPECIES_TYPE( 120 ), CONVERT_CONC( 120 ) / 119, 'GC', F / ! ALK2\n DATA CGRID_INDEX( 121 ), SPECIES_TYPE( 121 ), CONVERT_CONC( 121 ) / 120, 'GC', F / ! ALK3\n DATA CGRID_INDEX( 122 ), SPECIES_TYPE( 122 ), CONVERT_CONC( 122 ) / 121, 'GC', F / ! ALK4\n DATA CGRID_INDEX( 123 ), SPECIES_TYPE( 123 ), CONVERT_CONC( 123 ) / 122, 'GC', F / ! ALK5\n DATA CGRID_INDEX( 124 ), SPECIES_TYPE( 124 ), CONVERT_CONC( 124 ) / 123, 'GC', F / ! SOAALK\n DATA CGRID_INDEX( 125 ), SPECIES_TYPE( 125 ), CONVERT_CONC( 125 ) / 124, 'GC', F / ! ALKRXN\n DATA CGRID_INDEX( 126 ), SPECIES_TYPE( 126 ), CONVERT_CONC( 126 ) / 125, 'GC', F / ! OLE1\n DATA CGRID_INDEX( 127 ), SPECIES_TYPE( 127 ), CONVERT_CONC( 127 ) / 126, 'GC', F / ! OLE2\n DATA CGRID_INDEX( 128 ), SPECIES_TYPE( 128 ), CONVERT_CONC( 128 ) / 127, 'GC', F / ! ARO1\n DATA CGRID_INDEX( 129 ), SPECIES_TYPE( 129 ), CONVERT_CONC( 129 ) / 129, 'GC', F / ! NAPHTHAL\n DATA CGRID_INDEX( 130 ), SPECIES_TYPE( 130 ), CONVERT_CONC( 130 ) / 130, 'GC', F / ! PAHRO2\n DATA CGRID_INDEX( 131 ), SPECIES_TYPE( 131 ), CONVERT_CONC( 131 ) / 131, 'GC', F / ! TERP\n DATA CGRID_INDEX( 132 ), SPECIES_TYPE( 132 ), CONVERT_CONC( 132 ) / 132, 'GC', F / ! SESQ\n DATA CGRID_INDEX( 133 ), SPECIES_TYPE( 133 ), CONVERT_CONC( 133 ) / 133, 'GC', F / ! SESQRXN\n DATA CGRID_INDEX( 134 ), SPECIES_TYPE( 134 ), CONVERT_CONC( 134 ) / 134, 'GC', F / ! CL2\n DATA CGRID_INDEX( 135 ), SPECIES_TYPE( 135 ), CONVERT_CONC( 135 ) / 135, 'GC', F / ! CL\n DATA CGRID_INDEX( 136 ), SPECIES_TYPE( 136 ), CONVERT_CONC( 136 ) / 136, 'GC', F / ! CLNO\n DATA CGRID_INDEX( 137 ), SPECIES_TYPE( 137 ), CONVERT_CONC( 137 ) / 137, 'GC', F / ! CLONO\n DATA CGRID_INDEX( 138 ), SPECIES_TYPE( 138 ), CONVERT_CONC( 138 ) / 138, 'GC', F / ! CLNO2\n DATA CGRID_INDEX( 139 ), SPECIES_TYPE( 139 ), CONVERT_CONC( 139 ) / 139, 'GC', F / ! HCL\n DATA CGRID_INDEX( 140 ), SPECIES_TYPE( 140 ), CONVERT_CONC( 140 ) / 140, 'GC', F / ! CLO\n DATA CGRID_INDEX( 141 ), SPECIES_TYPE( 141 ), CONVERT_CONC( 141 ) / 141, 'GC', F / ! CLONO2\n DATA CGRID_INDEX( 142 ), SPECIES_TYPE( 142 ), CONVERT_CONC( 142 ) / 142, 'GC', F / ! HOCL\n DATA CGRID_INDEX( 143 ), SPECIES_TYPE( 143 ), CONVERT_CONC( 143 ) / 143, 'GC', F / ! xCL\n DATA CGRID_INDEX( 144 ), SPECIES_TYPE( 144 ), CONVERT_CONC( 144 ) / 144, 'GC', F / ! xCLCCHO\n DATA CGRID_INDEX( 145 ), SPECIES_TYPE( 145 ), CONVERT_CONC( 145 ) / 145, 'GC', F / ! xCLACET\n DATA CGRID_INDEX( 146 ), SPECIES_TYPE( 146 ), CONVERT_CONC( 146 ) / 146, 'GC', F / ! CLCCHO\n DATA CGRID_INDEX( 147 ), SPECIES_TYPE( 147 ), CONVERT_CONC( 147 ) / 147, 'GC', F / ! CLACET\n DATA CGRID_INDEX( 148 ), SPECIES_TYPE( 148 ), CONVERT_CONC( 148 ) / 148, 'GC', F / ! CLCHO\n DATA CGRID_INDEX( 149 ), SPECIES_TYPE( 149 ), CONVERT_CONC( 149 ) / 149, 'GC', F / ! BNZNRXN\n DATA CGRID_INDEX( 150 ), SPECIES_TYPE( 150 ), CONVERT_CONC( 150 ) / 150, 'GC', F / ! BNZHRXN\n DATA CGRID_INDEX( 151 ), SPECIES_TYPE( 151 ), CONVERT_CONC( 151 ) / 151, 'GC', F / ! XYLNRXN\n DATA CGRID_INDEX( 152 ), SPECIES_TYPE( 152 ), CONVERT_CONC( 152 ) / 152, 'GC', F / ! XYLHRXN\n DATA CGRID_INDEX( 153 ), SPECIES_TYPE( 153 ), CONVERT_CONC( 153 ) / 153, 'GC', F / ! TOLNRXN\n DATA CGRID_INDEX( 154 ), SPECIES_TYPE( 154 ), CONVERT_CONC( 154 ) / 154, 'GC', F / ! TOLHRXN\n DATA CGRID_INDEX( 155 ), SPECIES_TYPE( 155 ), CONVERT_CONC( 155 ) / 155, 'GC', F / ! PAHNRXN\n DATA CGRID_INDEX( 156 ), SPECIES_TYPE( 156 ), CONVERT_CONC( 156 ) / 156, 'GC', F / ! PAHHRXN\n DATA CGRID_INDEX( 157 ), SPECIES_TYPE( 157 ), CONVERT_CONC( 157 ) / 157, 'GC', F / ! HCHO_PRIMARY\n DATA CGRID_INDEX( 158 ), SPECIES_TYPE( 158 ), CONVERT_CONC( 158 ) / 158, 'GC', F / ! CCHO_PRIMARY\n DATA CGRID_INDEX( 159 ), SPECIES_TYPE( 159 ), CONVERT_CONC( 159 ) / 159, 'GC', F / ! ACRO_PRIMARY\n DATA CGRID_INDEX( 160 ), SPECIES_TYPE( 160 ), CONVERT_CONC( 160 ) / 160, 'GC', F / ! H2NO3PIJ\n DATA CGRID_INDEX( 161 ), SPECIES_TYPE( 161 ), CONVERT_CONC( 161 ) / 161, 'GC', F / ! H2NO3PK\n DATA CGRID_INDEX( 162 ), SPECIES_TYPE( 162 ), CONVERT_CONC( 162 ) / 186, 'AE', T / ! ACLI\n DATA CGRID_INDEX( 163 ), SPECIES_TYPE( 163 ), CONVERT_CONC( 163 ) / 187, 'AE', T / ! ACLJ\n DATA CGRID_INDEX( 164 ), SPECIES_TYPE( 164 ), CONVERT_CONC( 164 ) / 188, 'AE', T / ! ACLK\n DATA CGRID_INDEX( 165 ), SPECIES_TYPE( 165 ), CONVERT_CONC( 165 ) / 191, 'AE', T / ! AXYL1J\n DATA CGRID_INDEX( 166 ), SPECIES_TYPE( 166 ), CONVERT_CONC( 166 ) / 238, 'AE', T / ! AOLGAJ\n DATA CGRID_INDEX( 167 ), SPECIES_TYPE( 167 ), CONVERT_CONC( 167 ) / 192, 'AE', T / ! AXYL2J\n DATA CGRID_INDEX( 168 ), SPECIES_TYPE( 168 ), CONVERT_CONC( 168 ) / 194, 'AE', T / ! ATOL1J\n DATA CGRID_INDEX( 169 ), SPECIES_TYPE( 169 ), CONVERT_CONC( 169 ) / 195, 'AE', T / ! ATOL2J\n DATA CGRID_INDEX( 170 ), SPECIES_TYPE( 170 ), CONVERT_CONC( 170 ) / 197, 'AE', T / ! ABNZ1J\n DATA CGRID_INDEX( 171 ), SPECIES_TYPE( 171 ), CONVERT_CONC( 171 ) / 198, 'AE', T / ! ABNZ2J\n DATA CGRID_INDEX( 172 ), SPECIES_TYPE( 172 ), CONVERT_CONC( 172 ) / 203, 'AE', T / ! ATRP1J\n DATA CGRID_INDEX( 173 ), SPECIES_TYPE( 173 ), CONVERT_CONC( 173 ) / 239, 'AE', T / ! AOLGBJ\n DATA CGRID_INDEX( 174 ), SPECIES_TYPE( 174 ), CONVERT_CONC( 174 ) / 204, 'AE', T / ! ATRP2J\n DATA CGRID_INDEX( 175 ), SPECIES_TYPE( 175 ), CONVERT_CONC( 175 ) / 205, 'AE', T / ! AISO1J\n DATA CGRID_INDEX( 176 ), SPECIES_TYPE( 176 ), CONVERT_CONC( 176 ) / 206, 'AE', T / ! AISO2J\n DATA CGRID_INDEX( 177 ), SPECIES_TYPE( 177 ), CONVERT_CONC( 177 ) / 207, 'AE', T / ! ASQTJ\n DATA CGRID_INDEX( 178 ), SPECIES_TYPE( 178 ), CONVERT_CONC( 178 ) / 200, 'AE', T / ! APAH1J\n DATA CGRID_INDEX( 179 ), SPECIES_TYPE( 179 ), CONVERT_CONC( 179 ) / 201, 'AE', T / ! APAH2J\n DATA CGRID_INDEX( 180 ), SPECIES_TYPE( 180 ), CONVERT_CONC( 180 ) / 189, 'AE', T / ! AALK1J\n DATA CGRID_INDEX( 181 ), SPECIES_TYPE( 181 ), CONVERT_CONC( 181 ) / 190, 'AE', T / ! AALK2J\n DATA CGRID_INDEX( 182 ), SPECIES_TYPE( 182 ), CONVERT_CONC( 182 ) / 240, 'AE', T / ! APOCI\n DATA CGRID_INDEX( 183 ), SPECIES_TYPE( 183 ), CONVERT_CONC( 183 ) / 242, 'AE', T / ! APNCOMI\n DATA CGRID_INDEX( 184 ), SPECIES_TYPE( 184 ), CONVERT_CONC( 184 ) / 241, 'AE', T / ! APOCJ\n DATA CGRID_INDEX( 185 ), SPECIES_TYPE( 185 ), CONVERT_CONC( 185 ) / 243, 'AE', T / ! APNCOMJ\n DATA CGRID_INDEX( 186 ), SPECIES_TYPE( 186 ), CONVERT_CONC( 186 ) / 172, 'GC', F / ! PCVOC\n DATA CGRID_INDEX( 187 ), SPECIES_TYPE( 187 ), CONVERT_CONC( 187 ) / 173, 'GC', F / ! PCSOARXN\n DATA CGRID_INDEX( 188 ), SPECIES_TYPE( 188 ), CONVERT_CONC( 188 ) / 162, 'GC', F / ! VLVPO1\n DATA CGRID_INDEX( 189 ), SPECIES_TYPE( 189 ), CONVERT_CONC( 189 ) / 163, 'GC', F / ! VSVPO1\n DATA CGRID_INDEX( 190 ), SPECIES_TYPE( 190 ), CONVERT_CONC( 190 ) / 164, 'GC', F / ! VSVPO2\n DATA CGRID_INDEX( 191 ), SPECIES_TYPE( 191 ), CONVERT_CONC( 191 ) / 165, 'GC', F / ! VSVPO3\n DATA CGRID_INDEX( 192 ), SPECIES_TYPE( 192 ), CONVERT_CONC( 192 ) / 166, 'GC', F / ! VIVPO1\n DATA CGRID_INDEX( 193 ), SPECIES_TYPE( 193 ), CONVERT_CONC( 193 ) / 167, 'GC', F / ! VLVOO1\n DATA CGRID_INDEX( 194 ), SPECIES_TYPE( 194 ), CONVERT_CONC( 194 ) / 168, 'GC', F / ! VLVOO2\n DATA CGRID_INDEX( 195 ), SPECIES_TYPE( 195 ), CONVERT_CONC( 195 ) / 170, 'GC', F / ! VSVOO2\n DATA CGRID_INDEX( 196 ), SPECIES_TYPE( 196 ), CONVERT_CONC( 196 ) / 171, 'GC', F / ! VSVOO3\n DATA CGRID_INDEX( 197 ), SPECIES_TYPE( 197 ), CONVERT_CONC( 197 ) / 169, 'GC', F / ! VSVOO1\n DATA CGRID_INDEX( 198 ), SPECIES_TYPE( 198 ), CONVERT_CONC( 198 ) / 237, 'AE', T / ! AISO3J\n\n! The below integers define the locations of mechanism species in the solver\n! concentration array.\n\n INTEGER :: INDEX_NO2 = 1\n INTEGER :: INDEX_NO = 2\n INTEGER :: INDEX_O3P = 3\n INTEGER :: INDEX_O3 = 4\n INTEGER :: INDEX_NO3 = 5\n INTEGER :: INDEX_N2O5 = 6\n INTEGER :: INDEX_HNO3 = 7\n INTEGER :: INDEX_O1D = 8\n INTEGER :: INDEX_OH = 9\n INTEGER :: INDEX_HONO = 10\n INTEGER :: INDEX_HO2 = 11\n INTEGER :: INDEX_CO = 12\n INTEGER :: INDEX_CO2 = 13\n INTEGER :: INDEX_HNO4 = 14\n INTEGER :: INDEX_HO2H = 15\n INTEGER :: INDEX_SO2 = 16\n INTEGER :: INDEX_SULF = 17\n INTEGER :: INDEX_SULRXN = 18\n INTEGER :: INDEX_MEO2 = 19\n INTEGER :: INDEX_HCHO = 20\n INTEGER :: INDEX_COOH = 21\n INTEGER :: INDEX_MEOH = 22\n INTEGER :: INDEX_RO2C = 23\n INTEGER :: INDEX_RO2XC = 24\n INTEGER :: INDEX_MECO3 = 25\n INTEGER :: INDEX_PAN = 26\n INTEGER :: INDEX_CCOOOH = 27\n INTEGER :: INDEX_CCOOH = 28\n INTEGER :: INDEX_RCO3 = 29\n INTEGER :: INDEX_PAN2 = 30\n INTEGER :: INDEX_xHO2 = 31\n INTEGER :: INDEX_yROOH = 32\n INTEGER :: INDEX_xCCHO = 33\n INTEGER :: INDEX_RCOOOH = 34\n INTEGER :: INDEX_RCOOH = 35\n INTEGER :: INDEX_BZCO3 = 36\n INTEGER :: INDEX_PBZN = 37\n INTEGER :: INDEX_BZO = 38\n INTEGER :: INDEX_MACO3 = 39\n INTEGER :: INDEX_MAPAN = 40\n INTEGER :: INDEX_TBUO = 41\n INTEGER :: INDEX_RNO3 = 42\n INTEGER :: INDEX_ACETONE = 43\n INTEGER :: INDEX_NPHE = 44\n INTEGER :: INDEX_CRES = 45\n INTEGER :: INDEX_xOH = 46\n INTEGER :: INDEX_xNO2 = 47\n INTEGER :: INDEX_xMEO2 = 48\n INTEGER :: INDEX_xMECO3 = 49\n INTEGER :: INDEX_xRCO3 = 50\n INTEGER :: INDEX_xMACO3 = 51\n INTEGER :: INDEX_xTBUO = 52\n INTEGER :: INDEX_xCO = 53\n INTEGER :: INDEX_CCHO = 54\n INTEGER :: INDEX_RCHO = 55\n INTEGER :: INDEX_xHCHO = 56\n INTEGER :: INDEX_MEK = 57\n INTEGER :: INDEX_zRNO3 = 58\n INTEGER :: INDEX_xRCHO = 59\n INTEGER :: INDEX_HCOOH = 60\n INTEGER :: INDEX_xMGLY = 61\n INTEGER :: INDEX_xBACL = 62\n INTEGER :: INDEX_ROOH = 63\n INTEGER :: INDEX_xPROD2 = 64\n INTEGER :: INDEX_R6OOH = 65\n INTEGER :: INDEX_PRD2 = 66\n INTEGER :: INDEX_yR6OOH = 67\n INTEGER :: INDEX_RAOOH = 68\n INTEGER :: INDEX_MGLY = 69\n INTEGER :: INDEX_IPRD = 70\n INTEGER :: INDEX_xGLY = 71\n INTEGER :: INDEX_xMEK = 72\n INTEGER :: INDEX_xAFG1 = 73\n INTEGER :: INDEX_xAFG2 = 74\n INTEGER :: INDEX_GLY = 75\n INTEGER :: INDEX_AFG1 = 76\n INTEGER :: INDEX_AFG2 = 77\n INTEGER :: INDEX_HCOCO3 = 78\n INTEGER :: INDEX_BACL = 79\n INTEGER :: INDEX_BALD = 80\n INTEGER :: INDEX_AFG3 = 81\n INTEGER :: INDEX_xIPRD = 82\n INTEGER :: INDEX_MACR = 83\n INTEGER :: INDEX_MVK = 84\n INTEGER :: INDEX_xHOCCHO = 85\n INTEGER :: INDEX_xRNO3 = 86\n INTEGER :: INDEX_HOCCHO = 87\n INTEGER :: INDEX_xACETONE = 88\n INTEGER :: INDEX_ACROLEIN = 89\n INTEGER :: INDEX_xBALD = 90\n INTEGER :: INDEX_xAFG3 = 91\n INTEGER :: INDEX_xMACR = 92\n INTEGER :: INDEX_xMVK = 93\n INTEGER :: INDEX_yISOPOOH = 94\n INTEGER :: INDEX_ISOPOOH = 95\n INTEGER :: INDEX_yRAOOH = 96\n INTEGER :: INDEX_xACROLEIN = 97\n INTEGER :: INDEX_ETHENE = 98\n INTEGER :: INDEX_PROPENE = 99\n INTEGER :: INDEX_BUTADIENE13 = 100\n INTEGER :: INDEX_ISOPRENE = 101\n INTEGER :: INDEX_ISOPRXN = 102\n INTEGER :: INDEX_IEPOX = 103\n INTEGER :: INDEX_ARO2MN = 104\n INTEGER :: INDEX_IEPOXOO = 105\n INTEGER :: INDEX_APIN = 106\n INTEGER :: INDEX_TRPRXN = 107\n INTEGER :: INDEX_ACETYLENE = 108\n INTEGER :: INDEX_BENZENE = 109\n INTEGER :: INDEX_BENZRO2 = 110\n INTEGER :: INDEX_TOLUENE = 111\n INTEGER :: INDEX_TOLRO2 = 112\n INTEGER :: INDEX_MXYL = 113\n INTEGER :: INDEX_XYLRO2 = 114\n INTEGER :: INDEX_OXYL = 115\n INTEGER :: INDEX_PXYL = 116\n INTEGER :: INDEX_TMBENZ124 = 117\n INTEGER :: INDEX_ETOH = 118\n INTEGER :: INDEX_ALK1 = 119\n INTEGER :: INDEX_ALK2 = 120\n INTEGER :: INDEX_ALK3 = 121\n INTEGER :: INDEX_ALK4 = 122\n INTEGER :: INDEX_ALK5 = 123\n INTEGER :: INDEX_SOAALK = 124\n INTEGER :: INDEX_ALKRXN = 125\n INTEGER :: INDEX_OLE1 = 126\n INTEGER :: INDEX_OLE2 = 127\n INTEGER :: INDEX_ARO1 = 128\n INTEGER :: INDEX_NAPHTHAL = 129\n INTEGER :: INDEX_PAHRO2 = 130\n INTEGER :: INDEX_TERP = 131\n INTEGER :: INDEX_SESQ = 132\n INTEGER :: INDEX_SESQRXN = 133\n INTEGER :: INDEX_CL2 = 134\n INTEGER :: INDEX_CL = 135\n INTEGER :: INDEX_CLNO = 136\n INTEGER :: INDEX_CLONO = 137\n INTEGER :: INDEX_CLNO2 = 138\n INTEGER :: INDEX_HCL = 139\n INTEGER :: INDEX_CLO = 140\n INTEGER :: INDEX_CLONO2 = 141\n INTEGER :: INDEX_HOCL = 142\n INTEGER :: INDEX_xCL = 143\n INTEGER :: INDEX_xCLCCHO = 144\n INTEGER :: INDEX_xCLACET = 145\n INTEGER :: INDEX_CLCCHO = 146\n INTEGER :: INDEX_CLACET = 147\n INTEGER :: INDEX_CLCHO = 148\n INTEGER :: INDEX_BNZNRXN = 149\n INTEGER :: INDEX_BNZHRXN = 150\n INTEGER :: INDEX_XYLNRXN = 151\n INTEGER :: INDEX_XYLHRXN = 152\n INTEGER :: INDEX_TOLNRXN = 153\n INTEGER :: INDEX_TOLHRXN = 154\n INTEGER :: INDEX_PAHNRXN = 155\n INTEGER :: INDEX_PAHHRXN = 156\n INTEGER :: INDEX_HCHO_PRIMARY = 157\n INTEGER :: INDEX_CCHO_PRIMARY = 158\n INTEGER :: INDEX_ACRO_PRIMARY = 159\n INTEGER :: INDEX_H2NO3PIJ = 160\n INTEGER :: INDEX_H2NO3PK = 161\n INTEGER :: INDEX_ACLI = 162\n INTEGER :: INDEX_ACLJ = 163\n INTEGER :: INDEX_ACLK = 164\n INTEGER :: INDEX_AXYL1J = 165\n INTEGER :: INDEX_AOLGAJ = 166\n INTEGER :: INDEX_AXYL2J = 167\n INTEGER :: INDEX_ATOL1J = 168\n INTEGER :: INDEX_ATOL2J = 169\n INTEGER :: INDEX_ABNZ1J = 170\n INTEGER :: INDEX_ABNZ2J = 171\n INTEGER :: INDEX_ATRP1J = 172\n INTEGER :: INDEX_AOLGBJ = 173\n INTEGER :: INDEX_ATRP2J = 174\n INTEGER :: INDEX_AISO1J = 175\n INTEGER :: INDEX_AISO2J = 176\n INTEGER :: INDEX_ASQTJ = 177\n INTEGER :: INDEX_APAH1J = 178\n INTEGER :: INDEX_APAH2J = 179\n INTEGER :: INDEX_AALK1J = 180\n INTEGER :: INDEX_AALK2J = 181\n INTEGER :: INDEX_APOCI = 182\n INTEGER :: INDEX_APNCOMI = 183\n INTEGER :: INDEX_APOCJ = 184\n INTEGER :: INDEX_APNCOMJ = 185\n INTEGER :: INDEX_PCVOC = 186\n INTEGER :: INDEX_PCSOARXN = 187\n INTEGER :: INDEX_VLVPO1 = 188\n INTEGER :: INDEX_VSVPO1 = 189\n INTEGER :: INDEX_VSVPO2 = 190\n INTEGER :: INDEX_VSVPO3 = 191\n INTEGER :: INDEX_VIVPO1 = 192\n INTEGER :: INDEX_VLVOO1 = 193\n INTEGER :: INDEX_VLVOO2 = 194\n INTEGER :: INDEX_VSVOO2 = 195\n INTEGER :: INDEX_VSVOO3 = 196\n INTEGER :: INDEX_VSVOO1 = 197\n INTEGER :: INDEX_AISO3J = 198\n\n INTEGER, PARAMETER :: N_ACT_SP = 198\n\n INTEGER, PARAMETER :: NRXNS = 752\n\n INTEGER, PARAMETER :: ONE_REACT_REACTIONS = 0\n\n INTEGER, PARAMETER :: TWO_REACT_REACTIONS = 0\n\n INTEGER, PARAMETER :: THREE_REACT_REACTIONS = 0\n\n INTEGER, PARAMETER :: ZERO_REACT_REACTIONS = 0\n\n LOGICAL, PARAMETER :: UNITARY_REACTIONS = .FALSE.\n\n INTEGER, PARAMETER :: ONE_REACT_START = 0\n\n INTEGER, PARAMETER :: ONE_REACT_STOP = -1\n\n LOGICAL, PARAMETER :: BINARY_REACTIONS = .FALSE.\n\n INTEGER, PARAMETER :: TWO_REACT_START = 0\n\n INTEGER, PARAMETER :: TWO_REACT_STOP = -1\n\n LOGICAL, PARAMETER :: TERNARY_REACTIONS = .FALSE.\n\n INTEGER, PARAMETER :: THREE_REACT_START = 0\n\n INTEGER, PARAMETER :: THREE_REACT_STOP = -1\n\n LOGICAL, PARAMETER :: NULL_REACTIONS = .FALSE.\n\n INTEGER, PARAMETER :: ZERO_REACT_START = 0\n\n INTEGER, PARAMETER :: ZERO_REACT_STOP = -1\n\n INTEGER, PARAMETER :: NSUNLIGHT_RXNS = 56\n\n INTEGER, PARAMETER :: NTHERMAL_RXNS = 696\n\n INTEGER, PARAMETER :: KUNITS = 2\n\n INTEGER :: IRXXN\n\n INTEGER, PARAMETER :: NMPHOT = 55\n INTEGER :: IPH( NMPHOT,3 )\n\n DATA ( IPH( IRXXN,1 ), IRXXN = 1, NMPHOT ) / & \n & 1, 16, 17, 18, 19, 23, 28, 34, 41, 65, & \n & 75, 86, 98, 204, 205, 209, 212, 215, 217, 223, & \n & 225, 227, 229, 230, 231, 234, 237, 241, 242, 244, & \n & 248, 251, 258, 262, 266, 268, 270, 272, 278, 280, & \n & 282, 545, 590, 592, 595, 596, 603, 604, 608, 631, & \n & 634, 698, 699, 704, 711/\n\n DATA ( IPH( IRXXN,2 ), IRXXN = 1, NMPHOT ) / & \n & 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, & \n & 10, 10, 10, 11, 12, 13, 14, 15, 16, 17, & \n & 17, 17, 17, 18, 19, 20, 21, 1, 1, 22, & \n & 23, 23, 24, 25, 24, 16, 26, 27, 28, 29, & \n & 29, 17, 30, 31, 32, 33, 34, 35, 36, 37, & \n & 38, 11, 12, 13, 28/\n\n DATA ( IPH( IRXXN,3 ), IRXXN = 1, NMPHOT ) / & \n & 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, & \n & 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, & \n & 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, & \n & 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, & \n & 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, & \n & 51, 52, 53, 54, 55/\n\n REAL( 8 ) :: RTDAT( 3,NRXNS )\n\n INTEGER, PARAMETER :: NFALLOFF = 24\n REAL( 8 ) :: RFDAT( 5,NFALLOFF )\n\n INTEGER :: KTYPE( NRXNS )\n\n DATA ( KTYPE( IRXXN ), IRXXN = 1, NRXNS ) / & \n & 0, 2, 3, 10, 3, 10, 3, 3, 3, 3, & ! O \n & 10, 10, 1, 1, 3, 0, 0, 0, 0, 3, & ! 1 \n & 3, 10, 0, 3, 10, 1, 8, 0, 9, 3, & ! 2 \n & 3, 10, 10, 0, 3, 4, 9, 9, 1, 3, & ! 3 \n & 0, 1, 3, 10, 3, 3, 4, 4, 1, 4, & ! 4 \n & 3, 3, 3, 1, 1, 1, 6, 6, 6, 6, & ! 5 \n & 6, 6, 10, 10, 0, 3, 3, 6, 3, 3, & ! 6 \n & 6, 3, 4, 3, 0, 3, 6, 6, 6, 6, & ! 7 \n & 6, 6, 6, 1, 3, 0, 6, 6, 6, 6, & ! 8 \n & 6, 6, 6, 6, 6, 6, 3, 0, 6, 6, & ! 9 \n & 6, 6, 6, 6, 6, 6, 6, 6, 1, 3, & ! O \n & 3, 6, 1, 6, 6, 6, 6, 6, 6, 6, & ! 1 \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 2 \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 3 \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 4 \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 5 \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 6 \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 7 \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 8 \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 9 \n & 6, 6, 6, 0, 0, 3, 3, 3, 0, 3, & ! O \n & 3, 0, 3, 4, 0, 4, 0, 3, 1, 3, & ! 1 \n & 1, 3, 0, 1, 0, 1, 0, 1, 0, 0, & ! 2 \n & 0, 3, 3, 0, 1, 3, 0, 3, 1, 1, & ! 3 \n & 0, 0, 1, 0, 3, 1, 1, 0, 1, 1, & ! 4 \n & 0, 1, 1, 3, 3, 3, 1, 0, 3, 3, & ! 5 \n & 1, 0, 1, 1, 1, 0, 1, 0, 1, 0, & ! 6 \n & 6, 0, 6, 1, 3, 1, 1, 0, 1, 0, & ! 7 \n & 1, 0, 6, 6, 6, 6, 6, 6, 6, 6, & ! 8 \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 9 \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! O \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 1 \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 2 \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 3 \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 4 \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 5 \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 6 \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 7 \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 8 \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 9 \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! O \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 1 \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 2 \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 3 \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 4 \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 5 \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 6 \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 7 \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 8 \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 9 \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! O \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 1 \n & 6, 6, 6, 6, 6, 3, 10, 3, 3, 3, & ! 2 \n & 3, 3, 3, 3, 3, 3, 1, 3, 3, 3, & ! 3 \n & 3, 1, 3, 3, 0, 3, 3, 3, 1, 1, & ! 4 \n & 3, 3, 3, 3, 1, 10, 3, 3, 3, 1, & ! 5 \n & 1, 1, 1, 4, 4, 4, 3, 3, 3, 3, & ! 6 \n & 3, 3, 3, 3, 3, 3, 3, 3, 1, 1, & ! 7 \n & 1, 3, 3, 3, 1, 6, 6, 6, 6, 0, & ! 8 \n & 2, 0, 10, 10, 0, 0, 2, 2, 3, 1, & ! 9 \n & 3, 10, 0, 0, 10, 3, 3, 0, 3, 3, & ! O \n & 3, 3, 1, 1, 1, 3, 1, 1, 1, 3, & ! 1 \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! 2 \n & 0, 1, 1, 0, 6, 6, 6, 6, 6, 6, & ! 3 \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 4 \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 5 \n & 6, 6, 6, 6, 3, 10, 1, 1, 1, 1, & ! 6 \n & 10, 1, 1, 1, 1, 1, 3, 3, 3, 1, & ! 7 \n & 1, 1, 1, 1, 1, 1, 1, 1, 6, 6, & ! 8 \n & 6, 6, 6, 6, 6, 6, 6, 0, 0, 3, & ! 9 \n & 3, 3, 3, 0, 3, 1, 1, 3, 1, 1, & ! O \n & 0, 1, -1, -1, -1, -1, -1, -1, -1, -1, & ! 1 \n & 12, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! 2 \n & 1, 1, 1, 1, 1, 1, 1, -1, 1, -1, & ! 3 \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! 4 \n & 1, -1/ ! 5 \n\n INTEGER :: IRXBITS( NRXNS )\n\n DATA ( IRXBITS( IRXXN ), IRXXN = 1, NRXNS ) / & \n & 2, 20, 0, 1, 0, 1, 0, 0, 0, 16, & ! O \n & 1, 1, 8, 8, 0, 2, 2, 2, 2, 8, & ! 1 \n & 4, 1, 2, 0, 1, 0, 0, 2, 0, 0, & ! 2 \n & 0, 1, 1, 2, 0, 0, 0, 8, 0, 0, & ! 3 \n & 2, 0, 0, 1, 128, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 1, 1, 2, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 2, 2, 0, 0, 0, 2, 0, & ! O \n & 0, 2, 0, 0, 2, 0, 2, 0, 0, 0, & ! 1 \n & 0, 0, 2, 0, 2, 0, 2, 0, 2, 2, & ! 2 \n & 2, 0, 0, 2, 0, 0, 2, 0, 0, 0, & ! 3 \n & 2, 2, 0, 2, 0, 0, 0, 2, 0, 0, & ! 4 \n & 2, 0, 0, 0, 0, 0, 0, 2, 0, 0, & ! 5 \n & 0, 2, 0, 0, 0, 2, 0, 2, 0, 2, & ! 6 \n & 0, 2, 0, 0, 0, 0, 0, 2, 0, 2, & ! 7 \n & 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 64, 1, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, & ! 8 \n & 4, 2, 1, 1, 2, 2, 0, 0, 0, 0, & ! 9 \n & 0, 1, 2, 2, 1, 0, 0, 2, 0, 0, & ! O \n & 128, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 2, 0, 0, 2, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 64, 1, 0, 0, 0, 0, & ! 6 \n & 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 2, 2, 0, & ! 9 \n & 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, & ! O \n & 2, 0, 1, 1, 1, 1, 1, 1, 1, 1, & ! 1 \n & 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 1/ ! 5 \n\n INTEGER, PARAMETER :: NTERMS_JACOB = 39204\n\n INTEGER, PARAMETER :: NSTEPS_JACOB = 1504\n\n INTEGER :: IORDER( NRXNS )\n\n DATA ( IORDER( IRXXN ), IRXXN = 1, NRXNS ) / & \n & 1, 3, 2, 2, 2, 2, 2, 2, 2, 3, & ! O \n & 2, 1, 2, 3, 2, 1, 1, 1, 1, 2, & ! 1 \n & 2, 2, 1, 2, 2, 2, 2, 1, 2, 2, & ! 2 \n & 2, 2, 1, 1, 2, 2, 2, 3, 2, 2, & ! 3 \n & 1, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 2, 2, 2, 1, 1, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 1, 1, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 1, 1, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 1, 1, 2, 2, & ! 9 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 1, & ! O \n & 2, 2, 1, 2, 2, 2, 2, 2, 2, 2, & ! 1 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 2 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 9 \n & 2, 2, 2, 1, 1, 2, 2, 2, 1, 2, & ! O \n & 2, 1, 2, 2, 1, 2, 1, 2, 2, 2, & ! 1 \n & 2, 2, 1, 2, 1, 2, 1, 2, 1, 1, & ! 2 \n & 1, 2, 2, 1, 2, 2, 1, 2, 2, 2, & ! 3 \n & 1, 1, 2, 1, 2, 2, 2, 1, 2, 2, & ! 4 \n & 1, 2, 2, 2, 2, 2, 2, 1, 2, 2, & ! 5 \n & 2, 1, 2, 2, 2, 1, 2, 1, 2, 1, & ! 6 \n & 2, 1, 2, 2, 2, 2, 2, 1, 2, 1, & ! 7 \n & 2, 1, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 9 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 1 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 2 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 9 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 1 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 2 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 9 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 1 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 2 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 1, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 1, & ! 8 \n & 3, 1, 2, 2, 1, 1, 2, 2, 2, 2, & ! 9 \n & 2, 2, 1, 1, 1, 2, 2, 1, 2, 2, & ! O \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 1 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 2 \n & 1, 2, 2, 1, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 2, 1, 1, 2, & ! 9 \n & 2, 2, 2, 1, 2, 2, 2, 2, 2, 2, & ! O \n & 1, 2, 1, 1, 1, 1, 1, 2, 2, 2, & ! 1 \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! 2 \n & 1, 1, 1, 1, 1, 1, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 1/ ! 5 \n\n INTEGER, PARAMETER :: KTN1 = 122\n INTEGER :: KRX1( KTN1 )\n\n DATA ( KRX1( IRXXN ), IRXXN = 1, KTN1 ) / & \n & 13, 14, 26, 39, 42, 49, 54, 55, 56, 84, & ! O \n & 109, 113, 219, 221, 224, 226, 228, 235, 239, 240, & ! 1 \n & 243, 246, 247, 249, 250, 252, 253, 257, 261, 263, & ! 2 \n & 264, 265, 267, 269, 274, 276, 277, 279, 281, 537, & ! 3 \n & 542, 549, 550, 555, 560, 561, 562, 563, 579, 580, & ! 4 \n & 581, 585, 600, 613, 614, 615, 617, 618, 619, 621, & ! 5 \n & 622, 623, 624, 625, 626, 627, 628, 629, 630, 632, & ! 6 \n & 633, 667, 668, 669, 670, 672, 673, 674, 675, 676, & ! 7 \n & 680, 681, 682, 683, 684, 685, 686, 687, 688, 706, & ! 8 \n & 707, 709, 710, 712, 722, 723, 724, 725, 726, 727, & ! 9 \n & 728, 729, 730, 731, 732, 733, 734, 735, 736, 737, & ! O \n & 739, 741, 742, 743, 744, 745, 746, 747, 748, 749, & ! 1 \n & 750, 751/ ! 2 \n\n INTEGER, PARAMETER :: KTN2 = 4\n INTEGER :: KRX2( KTN2 )\n\n DATA ( KRX2( IRXXN ), IRXXN = 1, KTN2 ) / & \n & 2, 591, 597, 598/\n\n INTEGER, PARAMETER :: KTN3 = 112\n INTEGER :: KRX3( KTN3 )\n\n DATA ( KRX3( IRXXN ), IRXXN = 1, KTN3 ) / & \n & 3, 5, 7, 8, 9, 10, 15, 20, 21, 24, & ! O \n & 30, 31, 35, 40, 43, 45, 46, 51, 52, 53, & ! 1 \n & 66, 67, 69, 70, 72, 74, 76, 85, 97, 110, & ! 2 \n & 111, 206, 207, 208, 210, 211, 213, 218, 220, 222, & ! 3 \n & 232, 233, 236, 238, 245, 254, 255, 256, 259, 260, & ! 4 \n & 275, 526, 528, 529, 530, 531, 532, 533, 534, 535, & ! 5 \n & 536, 538, 539, 540, 541, 543, 544, 546, 547, 548, & ! 6 \n & 551, 552, 553, 554, 557, 558, 559, 567, 568, 569, & ! 7 \n & 570, 571, 572, 573, 574, 575, 576, 577, 578, 582, & ! 8 \n & 583, 584, 599, 601, 606, 607, 609, 610, 611, 612, & ! 9 \n & 616, 620, 665, 677, 678, 679, 700, 701, 702, 703, & ! O \n & 705, 708/ ! 1 \n\n INTEGER, PARAMETER :: KTN4 = 10\n INTEGER :: KRX4( KTN4 )\n\n DATA ( KRX4( IRXXN ), IRXXN = 1, KTN4 ) / & \n & 36, 47, 48, 50, 73, 214, 216, 564, 565, 566/\n\n INTEGER, PARAMETER :: KTN5 = 0\n INTEGER :: KRX5( 1 )\n\n DATA KRX5( 1 ) / 0 /\n\n INTEGER, PARAMETER :: KTN6 = 414\n INTEGER :: KRX6( KTN6 )\n\n DATA ( KRX6( IRXXN ), IRXXN = 1, KTN6 ) / & \n & 57, 58, 59, 60, 61, 62, 68, 71, 77, 78, & ! O \n & 79, 80, 81, 82, 83, 87, 88, 89, 90, 91, & ! 1 \n & 92, 93, 94, 95, 96, 99, 100, 101, 102, 103, & ! 2 \n & 104, 105, 106, 107, 108, 112, 114, 115, 116, 117, & ! 3 \n & 118, 119, 120, 121, 122, 123, 124, 125, 126, 127, & ! 4 \n & 128, 129, 130, 131, 132, 133, 134, 135, 136, 137, & ! 5 \n & 138, 139, 140, 141, 142, 143, 144, 145, 146, 147, & ! 6 \n & 148, 149, 150, 151, 152, 153, 154, 155, 156, 157, & ! 7 \n & 158, 159, 160, 161, 162, 163, 164, 165, 166, 167, & ! 8 \n & 168, 169, 170, 171, 172, 173, 174, 175, 176, 177, & ! 9 \n & 178, 179, 180, 181, 182, 183, 184, 185, 186, 187, & ! O \n & 188, 189, 190, 191, 192, 193, 194, 195, 196, 197, & ! 1 \n & 198, 199, 200, 201, 202, 203, 271, 273, 283, 284, & ! 2 \n & 285, 286, 287, 288, 289, 290, 291, 292, 293, 294, & ! 3 \n & 295, 296, 297, 298, 299, 300, 301, 302, 303, 304, & ! 4 \n & 305, 306, 307, 308, 309, 310, 311, 312, 313, 314, & ! 5 \n & 315, 316, 317, 318, 319, 320, 321, 322, 323, 324, & ! 6 \n & 325, 326, 327, 328, 329, 330, 331, 332, 333, 334, & ! 7 \n & 335, 336, 337, 338, 339, 340, 341, 342, 343, 344, & ! 8 \n & 345, 346, 347, 348, 349, 350, 351, 352, 353, 354, & ! 9 \n & 355, 356, 357, 358, 359, 360, 361, 362, 363, 364, & ! O \n & 365, 366, 367, 368, 369, 370, 371, 372, 373, 374, & ! 1 \n & 375, 376, 377, 378, 379, 380, 381, 382, 383, 384, & ! 2 \n & 385, 386, 387, 388, 389, 390, 391, 392, 393, 394, & ! 3 \n & 395, 396, 397, 398, 399, 400, 401, 402, 403, 404, & ! 4 \n & 405, 406, 407, 408, 409, 410, 411, 412, 413, 414, & ! 5 \n & 415, 416, 417, 418, 419, 420, 421, 422, 423, 424, & ! 6 \n & 425, 426, 427, 428, 429, 430, 431, 432, 433, 434, & ! 7 \n & 435, 436, 437, 438, 439, 440, 441, 442, 443, 444, & ! 8 \n & 445, 446, 447, 448, 449, 450, 451, 452, 453, 454, & ! 9 \n & 455, 456, 457, 458, 459, 460, 461, 462, 463, 464, & ! O \n & 465, 466, 467, 468, 469, 470, 471, 472, 473, 474, & ! 1 \n & 475, 476, 477, 478, 479, 480, 481, 482, 483, 484, & ! 2 \n & 485, 486, 487, 488, 489, 490, 491, 492, 493, 494, & ! 3 \n & 495, 496, 497, 498, 499, 500, 501, 502, 503, 504, & ! 4 \n & 505, 506, 507, 508, 509, 510, 511, 512, 513, 514, & ! 5 \n & 515, 516, 517, 518, 519, 520, 521, 522, 523, 524, & ! 6 \n & 525, 586, 587, 588, 589, 635, 636, 637, 638, 639, & ! 7 \n & 640, 641, 642, 643, 644, 645, 646, 647, 648, 649, & ! 8 \n & 650, 651, 652, 653, 654, 655, 656, 657, 658, 659, & ! 9 \n & 660, 661, 662, 663, 664, 689, 690, 691, 692, 693, & ! O \n & 694, 695, 696, 697/ ! 1 \n\n INTEGER, PARAMETER :: KTN7 = 0\n INTEGER :: KRX7( 1 )\n\n DATA KRX7( 1 ) / 0 /\n\n INTEGER, PARAMETER :: NWM = 3\n INTEGER :: NRXWM( NWM )\n\n DATA ( NRXWM( IRXXN ), IRXXN = 1, NWM ) / & \n & 2, 21, 591/\n REAL( 8 ), PARAMETER :: ATM_AIR = 1.00000D+06\n\n INTEGER, PARAMETER :: NWW = 5\n INTEGER :: NRXWW( NWW )\n\n DATA ( NRXWW( IRXXN ), IRXXN = 1, NWW ) / & \n & 13, 14, 14, 20, 38/\n\n INTEGER, PARAMETER :: NWO2 = 2\n INTEGER :: NRXWO2( NWO2 )\n\n DATA ( NRXWO2( IRXXN ), IRXXN = 1, NWO2 ) / & \n & 2, 10/\n REAL( 8 ), PARAMETER :: ATM_O2 = 2.09500D+05\n\n INTEGER, PARAMETER :: NWN2 = 0\n INTEGER :: NRXWN2( 1 )\n\n DATA NRXWN2( 1 ) / 0 /\n REAL( 8 ), PARAMETER :: ATM_N2 = 7.80800D+05\n\n INTEGER, PARAMETER :: NWCH4 = 2\n INTEGER :: NRXWCH4( NWCH4 )\n\n DATA ( NRXWCH4( IRXXN ), IRXXN = 1, NWCH4 ) / & \n & 526, 665/\n REAL( 8 ), PARAMETER :: ATM_CH4 = 1.85000D+00\n\n INTEGER, PARAMETER :: NWH2 = 2\n INTEGER :: NRXWH2( NWH2 )\n\n DATA ( NRXWH2( IRXXN ), IRXXN = 1, NWH2 ) / & \n & 45, 611/\n REAL( 8 ), PARAMETER :: ATM_H2 = 5.60000D-01\n\n INTEGER, PARAMETER :: MXPRD = 26\n INTEGER :: IRR( NRXNS,MXPRD+3 )\n\n DATA ( IRR( IRXXN, 1 ), IRXXN = 1, NRXNS ) / & \n & 1, 3, 3, 3, 3, 3, 4, 4, 2, 2, & ! O \n & 1, 6, 6, 6, 1, 5, 5, 4, 4, 8, & ! 1 \n & 8, 9, 10, 9, 9, 9, 9, 7, 9, 9, & ! 2 \n & 11, 11, 14, 14, 14, 11, 11, 11, 5, 5, & ! 3 \n & 15, 15, 9, 9, 9, 19, 19, 19, 19, 19, & ! 4 \n & 19, 23, 23, 23, 23, 23, 24, 24, 24, 24, & ! 5 \n & 24, 24, 25, 26, 26, 25, 25, 25, 25, 25, & ! 6 \n & 25, 25, 29, 30, 30, 29, 29, 29, 29, 29, & ! 7 \n & 29, 29, 29, 36, 37, 37, 36, 36, 36, 36, & ! 8 \n & 36, 36, 36, 36, 36, 39, 40, 40, 39, 39, & ! 9 \n & 39, 39, 39, 39, 39, 39, 39, 39, 41, 41, & ! O \n & 38, 38, 38, 31, 31, 31, 31, 31, 31, 31, & ! 1 \n & 31, 31, 31, 46, 46, 46, 46, 46, 46, 46, & ! 2 \n & 46, 46, 46, 47, 47, 47, 47, 47, 47, 47, & ! 3 \n & 47, 47, 47, 48, 48, 48, 48, 48, 48, 48, & ! 4 \n & 48, 48, 48, 49, 49, 49, 49, 49, 49, 49, & ! 5 \n & 49, 49, 49, 50, 50, 50, 50, 50, 50, 50, & ! 6 \n & 50, 50, 50, 51, 51, 51, 51, 51, 51, 51, & ! 7 \n & 51, 51, 51, 52, 52, 52, 52, 52, 52, 52, & ! 8 \n & 52, 52, 52, 53, 53, 53, 53, 53, 53, 53, & ! 9 \n & 53, 53, 53, 20, 20, 20, 20, 54, 54, 54, & ! O \n & 55, 55, 55, 43, 43, 57, 57, 22, 60, 28, & ! 1 \n & 35, 21, 21, 63, 63, 65, 65, 68, 68, 75, & ! 2 \n & 75, 75, 75, 69, 69, 69, 79, 45, 45, 44, & ! 3 \n & 44, 44, 80, 80, 80, 76, 76, 76, 77, 77, & ! 4 \n & 77, 81, 81, 83, 83, 83, 83, 83, 84, 84, & ! 5 \n & 84, 84, 70, 70, 70, 70, 66, 66, 42, 42, & ! 6 \n & 87, 87, 87, 89, 89, 89, 89, 89, 27, 27, & ! 7 \n & 34, 34, 78, 78, 78, 56, 56, 56, 56, 56, & ! 8 \n & 56, 56, 56, 56, 56, 33, 33, 33, 33, 33, & ! 9 \n & 33, 33, 33, 33, 33, 59, 59, 59, 59, 59, & ! O \n & 59, 59, 59, 59, 59, 88, 88, 88, 88, 88, & ! 1 \n & 88, 88, 88, 88, 88, 72, 72, 72, 72, 72, & ! 2 \n & 72, 72, 72, 72, 72, 64, 64, 64, 64, 64, & ! 3 \n & 64, 64, 64, 64, 64, 71, 71, 71, 71, 71, & ! 4 \n & 71, 71, 71, 71, 71, 61, 61, 61, 61, 61, & ! 5 \n & 61, 61, 61, 61, 61, 62, 62, 62, 62, 62, & ! 6 \n & 62, 62, 62, 62, 62, 90, 90, 90, 90, 90, & ! 7 \n & 90, 90, 90, 90, 90, 73, 73, 73, 73, 73, & ! 8 \n & 73, 73, 73, 73, 73, 74, 74, 74, 74, 74, & ! 9 \n & 74, 74, 74, 74, 74, 91, 91, 91, 91, 91, & ! O \n & 91, 91, 91, 91, 91, 92, 92, 92, 92, 92, & ! 1 \n & 92, 92, 92, 92, 92, 93, 93, 93, 93, 93, & ! 2 \n & 93, 93, 93, 93, 93, 82, 82, 82, 82, 82, & ! 3 \n & 82, 82, 82, 82, 82, 86, 86, 86, 86, 86, & ! 4 \n & 86, 86, 86, 86, 86, 32, 32, 32, 32, 32, & ! 5 \n & 32, 32, 32, 32, 32, 67, 67, 67, 67, 67, & ! 6 \n & 67, 67, 67, 67, 67, 94, 94, 94, 94, 94, & ! 7 \n & 94, 94, 94, 94, 94, 96, 96, 96, 96, 96, & ! 8 \n & 96, 96, 96, 96, 96, 58, 58, 58, 58, 58, & ! 9 \n & 58, 58, 58, 58, 58, 85, 85, 85, 85, 85, & ! O \n & 85, 85, 85, 85, 85, 97, 97, 97, 97, 97, & ! 1 \n & 97, 97, 97, 97, 97, 9, 98, 98, 98, 98, & ! 2 \n & 99, 99, 99, 99, 100, 100, 100, 100, 101, 101, & ! 3 \n & 101, 101, 95, 95, 95, 103, 105, 105, 105, 105, & ! 4 \n & 105, 106, 106, 106, 106, 108, 108, 109, 111, 113, & ! 5 \n & 115, 116, 117, 118, 119, 120, 121, 122, 123, 124, & ! 6 \n & 126, 126, 126, 126, 127, 127, 127, 127, 128, 104, & ! 7 \n & 129, 131, 131, 131, 131, 132, 132, 132, 132, 134, & ! 8 \n & 135, 136, 135, 135, 137, 138, 135, 135, 135, 135, & ! 9 \n & 140, 140, 141, 141, 141, 135, 140, 142, 140, 9, & ! O \n & 135, 20, 54, 22, 55, 43, 57, 42, 66, 75, & ! 1 \n & 69, 45, 80, 63, 65, 68, 89, 83, 84, 70, & ! 2 \n & 146, 146, 146, 147, 143, 143, 143, 143, 143, 143, & ! 3 \n & 143, 143, 143, 143, 144, 144, 144, 144, 144, 144, & ! 4 \n & 144, 144, 144, 144, 145, 145, 145, 145, 145, 145, & ! 5 \n & 145, 145, 145, 145, 135, 98, 99, 100, 101, 106, & ! 6 \n & 108, 111, 113, 115, 116, 117, 118, 119, 120, 121, & ! 7 \n & 122, 123, 126, 127, 128, 104, 129, 131, 132, 110, & ! 8 \n & 110, 114, 114, 112, 112, 130, 130, 157, 157, 157, & ! 9 \n & 157, 157, 158, 158, 158, 158, 159, 159, 159, 159, & ! O \n & 159, 159, 1, 6, 6, 160, 161, 160, 160, 161, & ! 1 \n & 4, 165, 167, 168, 169, 170, 171, 172, 174, 175, & ! 2 \n & 176, 177, 178, 179, 180, 181, 182, 183, 184, 185, & ! 3 \n & 186, 188, 189, 190, 191, 192, 193, 194, 197, 195, & ! 4 \n & 196, 103/ ! 5 \n\n DATA ( IRR( IRXXN, 2 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 4, 2, 1, 1, 2, 1, 5, 2, & ! O \n & 5, 0, 0, 0, 5, 0, 0, 0, 0, 0, & ! 1 \n & 0, 2, 0, 10, 1, 5, 7, 0, 12, 4, & ! 2 \n & 2, 1, 0, 0, 9, 4, 11, 11, 11, 5, & ! 3 \n & 0, 9, 11, 16, 0, 2, 11, 11, 5, 19, & ! 4 \n & 19, 2, 11, 5, 19, 23, 2, 11, 5, 19, & ! 5 \n & 23, 24, 1, 0, 0, 2, 11, 5, 19, 23, & ! 6 \n & 24, 25, 1, 0, 0, 2, 11, 5, 19, 23, & ! 7 \n & 24, 25, 29, 1, 0, 0, 2, 11, 5, 19, & ! 8 \n & 23, 24, 25, 29, 36, 1, 0, 0, 2, 11, & ! 9 \n & 5, 19, 23, 24, 25, 29, 36, 39, 1, 0, & ! O \n & 1, 11, 0, 2, 11, 5, 19, 23, 24, 25, & ! 1 \n & 29, 36, 39, 2, 11, 5, 19, 23, 24, 25, & ! 2 \n & 29, 36, 39, 2, 11, 5, 19, 23, 24, 25, & ! 3 \n & 29, 36, 39, 2, 11, 5, 19, 23, 24, 25, & ! 4 \n & 29, 36, 39, 2, 11, 5, 19, 23, 24, 25, & ! 5 \n & 29, 36, 39, 2, 11, 5, 19, 23, 24, 25, & ! 6 \n & 29, 36, 39, 2, 11, 5, 19, 23, 24, 25, & ! 7 \n & 29, 36, 39, 2, 11, 5, 19, 23, 24, 25, & ! 8 \n & 29, 36, 39, 2, 11, 5, 19, 23, 24, 25, & ! 9 \n & 29, 36, 39, 0, 0, 9, 5, 9, 0, 5, & ! O \n & 9, 0, 5, 9, 0, 9, 0, 9, 9, 9, & ! 1 \n & 9, 9, 0, 9, 0, 9, 0, 9, 0, 0, & ! 2 \n & 0, 9, 5, 0, 9, 5, 0, 9, 5, 9, & ! 3 \n & 0, 0, 9, 0, 5, 9, 4, 0, 9, 4, & ! 4 \n & 0, 9, 4, 9, 4, 5, 3, 0, 9, 4, & ! 5 \n & 3, 0, 9, 4, 5, 0, 9, 0, 9, 0, & ! 6 \n & 9, 0, 5, 9, 4, 5, 3, 0, 9, 0, & ! 7 \n & 9, 0, 2, 1, 11, 2, 11, 5, 19, 23, & ! 8 \n & 24, 25, 29, 36, 39, 2, 11, 5, 19, 23, & ! 9 \n & 24, 25, 29, 36, 39, 2, 11, 5, 19, 23, & ! O \n & 24, 25, 29, 36, 39, 2, 11, 5, 19, 23, & ! 1 \n & 24, 25, 29, 36, 39, 2, 11, 5, 19, 23, & ! 2 \n & 24, 25, 29, 36, 39, 2, 11, 5, 19, 23, & ! 3 \n & 24, 25, 29, 36, 39, 2, 11, 5, 19, 23, & ! 4 \n & 24, 25, 29, 36, 39, 2, 11, 5, 19, 23, & ! 5 \n & 24, 25, 29, 36, 39, 2, 11, 5, 19, 23, & ! 6 \n & 24, 25, 29, 36, 39, 2, 11, 5, 19, 23, & ! 7 \n & 24, 25, 29, 36, 39, 2, 11, 5, 19, 23, & ! 8 \n & 24, 25, 29, 36, 39, 2, 11, 5, 19, 23, & ! 9 \n & 24, 25, 29, 36, 39, 2, 11, 5, 19, 23, & ! O \n & 24, 25, 29, 36, 39, 2, 11, 5, 19, 23, & ! 1 \n & 24, 25, 29, 36, 39, 2, 11, 5, 19, 23, & ! 2 \n & 24, 25, 29, 36, 39, 2, 11, 5, 19, 23, & ! 3 \n & 24, 25, 29, 36, 39, 2, 11, 5, 19, 23, & ! 4 \n & 24, 25, 29, 36, 39, 2, 11, 5, 19, 23, & ! 5 \n & 24, 25, 29, 36, 39, 2, 11, 5, 19, 23, & ! 6 \n & 24, 25, 29, 36, 39, 2, 11, 5, 19, 23, & ! 7 \n & 24, 25, 29, 36, 39, 2, 11, 5, 19, 23, & ! 8 \n & 24, 25, 29, 36, 39, 2, 11, 5, 19, 23, & ! 9 \n & 24, 25, 29, 36, 39, 2, 11, 5, 19, 23, & ! O \n & 24, 25, 29, 36, 39, 2, 11, 5, 19, 23, & ! 1 \n & 24, 25, 29, 36, 39, 0, 9, 4, 5, 3, & ! 2 \n & 9, 4, 5, 3, 9, 4, 5, 3, 9, 4, & ! 3 \n & 5, 3, 9, 9, 0, 9, 11, 2, 19, 23, & ! 4 \n & 25, 9, 4, 5, 3, 9, 4, 9, 9, 9, & ! 5 \n & 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, & ! 6 \n & 9, 4, 5, 3, 9, 4, 5, 3, 9, 9, & ! 7 \n & 9, 9, 4, 5, 3, 9, 4, 5, 3, 0, & ! 8 \n & 2, 0, 1, 1, 0, 0, 11, 11, 4, 5, & ! 9 \n & 2, 1, 0, 0, 0, 141, 11, 0, 140, 139, & ! O \n & 0, 135, 135, 135, 135, 135, 135, 135, 135, 135, & ! 1 \n & 135, 135, 135, 135, 135, 135, 135, 135, 135, 135, & ! 2 \n & 0, 9, 135, 0, 2, 11, 5, 19, 23, 24, & ! 3 \n & 25, 29, 36, 39, 2, 11, 5, 19, 23, 24, & ! 4 \n & 25, 29, 36, 39, 2, 11, 5, 19, 23, 24, & ! 5 \n & 25, 29, 36, 39, 0, 135, 135, 135, 135, 135, & ! 6 \n & 135, 135, 135, 135, 135, 135, 135, 135, 135, 135, & ! 7 \n & 135, 135, 135, 135, 135, 135, 135, 135, 135, 2, & ! 8 \n & 11, 2, 11, 2, 11, 2, 11, 0, 0, 9, & ! 9 \n & 5, 135, 9, 0, 5, 135, 9, 4, 5, 3, & ! O \n & 0, 135, 0, 0, 0, 0, 0, 162, 163, 164, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 9, 9, 9, 9, & ! 3 \n & 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, & ! 4 \n & 9, 0/ ! 5 \n\n DATA ( IRR( IRXXN, 3 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0/ ! 5 \n\n DATA ( IRR( IRXXN, 4 ), IRXXN = 1, NRXNS ) / & \n & 2, 4, 0, 1, 2, 5, 1, 5, 1, 1, & ! O \n & 6, 1, 7, 7, 2, 2, 1, 8, 3, 9, & ! 1 \n & 3, 10, 9, 1, 7, 11, 5, 9, 11, 11, & ! 2 \n & 9, 14, 11, 11, 1, 9, 15, 15, 9, 1, & ! 3 \n & 9, 11, 0, 11, 11, 1, 21, 20, 20, 22, & ! 4 \n & 20, 1, 0, 1, 11, 0, 0, 0, 1, 11, & ! 5 \n & 0, 0, 26, 25, 25, 19, 27, 19, 28, 19, & ! 6 \n & 19, 19, 30, 29, 29, 1, 34, 1, 20, 23, & ! 7 \n & 23, 13, 23, 37, 36, 36, 1, 34, 1, 20, & ! 8 \n & 23, 23, 13, 13, 38, 40, 39, 39, 1, 34, & ! 9 \n & 1, 20, 13, 13, 13, 20, 20, 20, 42, 43, & ! O \n & 44, 45, 45, 2, 11, 5, 19, 23, 24, 25, & ! 1 \n & 29, 36, 39, 2, 11, 5, 19, 23, 24, 25, & ! 2 \n & 29, 36, 39, 2, 11, 5, 19, 23, 24, 25, & ! 3 \n & 29, 36, 39, 2, 11, 5, 19, 23, 24, 25, & ! 4 \n & 29, 36, 39, 2, 11, 5, 19, 23, 24, 25, & ! 5 \n & 29, 36, 39, 2, 11, 5, 19, 23, 24, 25, & ! 6 \n & 29, 36, 39, 2, 11, 5, 19, 23, 24, 25, & ! 7 \n & 29, 36, 39, 2, 11, 5, 19, 23, 24, 25, & ! 8 \n & 29, 36, 39, 2, 11, 5, 19, 23, 24, 25, & ! 9 \n & 29, 36, 39, 11, 12, 11, 7, 25, 12, 7, & ! O \n & 29, 23, 7, 23, 25, 23, 25, 20, 11, 19, & ! 1 \n & 23, 20, 20, 9, 55, 9, 9, 9, 9, 12, & ! 2 \n & 20, 11, 7, 11, 12, 7, 25, 38, 7, 38, & ! 3 \n & 10, 0, 36, 0, 7, 39, 9, 11, 39, 9, & ! 4 \n & 66, 39, 9, 39, 9, 39, 55, 9, 23, 9, & ! 5 \n & 55, 19, 39, 9, 39, 11, 11, 31, 11, 11, & ! 6 \n & 25, 12, 7, 31, 11, 31, 55, 11, 25, 19, & ! 7 \n & 29, 31, 11, 11, 9, 2, 11, 5, 19, 23, & ! 8 \n & 24, 25, 29, 36, 39, 2, 11, 5, 19, 23, & ! 9 \n & 24, 25, 29, 36, 39, 2, 11, 5, 19, 23, & ! O \n & 24, 25, 29, 36, 39, 2, 11, 5, 19, 23, & ! 1 \n & 24, 25, 29, 36, 39, 2, 11, 5, 19, 23, & ! 2 \n & 24, 25, 29, 36, 39, 2, 11, 5, 19, 23, & ! 3 \n & 24, 25, 29, 36, 39, 2, 11, 5, 19, 23, & ! 4 \n & 24, 25, 29, 36, 39, 2, 11, 5, 19, 23, & ! 5 \n & 24, 25, 29, 36, 39, 2, 11, 5, 19, 23, & ! 6 \n & 24, 25, 29, 36, 39, 2, 11, 5, 19, 23, & ! 7 \n & 24, 25, 29, 36, 39, 2, 11, 5, 19, 23, & ! 8 \n & 24, 25, 29, 36, 39, 2, 11, 5, 19, 23, & ! 9 \n & 24, 25, 29, 36, 39, 2, 11, 5, 19, 23, & ! O \n & 24, 25, 29, 36, 39, 2, 11, 5, 19, 23, & ! 1 \n & 24, 25, 29, 36, 39, 2, 11, 5, 19, 23, & ! 2 \n & 24, 25, 29, 36, 39, 2, 11, 5, 19, 23, & ! 3 \n & 24, 25, 29, 36, 39, 2, 11, 5, 19, 23, & ! 4 \n & 24, 25, 29, 36, 39, 2, 11, 5, 19, 23, & ! 5 \n & 24, 25, 29, 36, 39, 2, 11, 5, 19, 23, & ! 6 \n & 24, 25, 29, 36, 39, 2, 11, 5, 19, 23, & ! 7 \n & 24, 25, 29, 36, 39, 2, 11, 5, 19, 23, & ! 8 \n & 24, 25, 29, 36, 39, 2, 11, 5, 19, 23, & ! 9 \n & 24, 25, 29, 36, 39, 2, 11, 5, 19, 23, & ! O \n & 24, 25, 29, 36, 39, 2, 11, 5, 19, 23, & ! 1 \n & 24, 25, 29, 36, 39, 19, 31, 11, 31, 11, & ! 2 \n & 31, 11, 31, 55, 31, 11, 31, 11, 31, 11, & ! 3 \n & 31, 19, 103, 93, 9, 105, 57, 57, 57, 57, & ! 4 \n & 57, 31, 11, 31, 66, 11, 11, 11, 11, 11, & ! 5 \n & 11, 11, 11, 11, 31, 31, 31, 31, 31, 9, & ! 6 \n & 31, 11, 31, 55, 31, 11, 31, 55, 11, 11, & ! 7 \n & 11, 31, 11, 31, 55, 31, 11, 31, 55, 135, & ! 8 \n & 136, 135, 137, 138, 135, 135, 139, 140, 140, 140, & ! 9 \n & 135, 141, 140, 135, 140, 134, 142, 9, 134, 135, & ! O \n & 139, 139, 139, 139, 139, 139, 139, 139, 139, 139, & ! 1 \n & 139, 139, 139, 139, 139, 139, 31, 139, 23, 139, & ! 2 \n & 11, 29, 139, 25, 2, 11, 5, 19, 23, 24, & ! 3 \n & 25, 29, 36, 39, 2, 11, 5, 19, 23, 24, & ! 4 \n & 25, 29, 36, 39, 2, 11, 5, 19, 23, 24, & ! 5 \n & 25, 29, 36, 39, 139, 31, 139, 31, 139, 139, & ! 6 \n & 11, 31, 31, 31, 31, 31, 139, 139, 139, 139, & ! 7 \n & 139, 139, 139, 139, 31, 31, 31, 139, 31, 2, & ! 8 \n & 11, 2, 11, 2, 11, 2, 11, 0, 0, 9, & ! 9 \n & 5, 135, 9, 0, 5, 135, 9, 4, 5, 3, & ! O \n & 0, 135, 10, 7, 7, 7, 7, 138, 138, 138, & ! 1 \n & 0, 166, 166, 166, 166, 166, 166, 173, 173, 173, & ! 2 \n & 173, 173, 166, 166, 166, 166, 183, 9, 185, 9, & ! 3 \n & 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, & ! 4 \n & 9, 198/ ! 5 \n\n DATA ( IRR( IRXXN, 5 ), IRXXN = 1, NRXNS ) / & \n & 3, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 5, 0, 0, 1, 0, 3, 0, 0, 0, & ! 1 \n & 0, 0, 2, 0, 0, 1, 0, 1, 13, 0, & ! 2 \n & 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, & ! 3 \n & 0, 0, 0, 17, 0, 20, 0, 0, 11, 20, & ! 4 \n & 11, 0, 0, 0, 20, 0, 0, 0, 0, 20, & ! 5 \n & 0, 0, 0, 1, 1, 13, 28, 13, 20, 13, & ! 6 \n & 13, 13, 0, 1, 1, 23, 35, 23, 11, 31, & ! 7 \n & 31, 19, 31, 0, 1, 1, 13, 35, 13, 11, & ! 8 \n & 38, 38, 19, 23, 23, 0, 1, 1, 13, 35, & ! 9 \n & 13, 11, 20, 20, 19, 25, 25, 25, 0, 19, & ! O \n & 0, 0, 23, 11, 0, 11, 11, 11, 11, 11, & ! 1 \n & 11, 11, 11, 9, 0, 9, 9, 9, 9, 9, & ! 2 \n & 9, 9, 9, 1, 0, 1, 1, 1, 1, 1, & ! 3 \n & 1, 1, 1, 19, 0, 19, 0, 19, 19, 19, & ! 4 \n & 19, 19, 19, 25, 0, 25, 25, 25, 25, 0, & ! 5 \n & 25, 25, 25, 29, 0, 29, 29, 29, 29, 29, & ! 6 \n & 0, 29, 29, 39, 0, 39, 39, 39, 39, 39, & ! 7 \n & 39, 39, 0, 41, 0, 41, 41, 41, 41, 41, & ! 8 \n & 41, 41, 41, 12, 0, 12, 12, 12, 12, 12, & ! 9 \n & 12, 12, 12, 12, 0, 12, 11, 0, 11, 25, & ! O \n & 23, 31, 29, 49, 19, 24, 23, 11, 13, 23, & ! 1 \n & 31, 9, 11, 23, 11, 23, 11, 11, 11, 11, & ! 2 \n & 12, 12, 11, 12, 25, 12, 0, 23, 38, 0, & ! 3 \n & 0, 0, 0, 0, 36, 23, 11, 19, 23, 11, & ! 4 \n & 0, 23, 11, 23, 11, 23, 0, 11, 24, 11, & ! 5 \n & 57, 12, 23, 11, 7, 25, 31, 25, 31, 31, & ! 6 \n & 0, 11, 25, 39, 9, 39, 0, 9, 23, 13, & ! 7 \n & 23, 33, 12, 12, 11, 20, 0, 20, 20, 20, & ! 8 \n & 20, 20, 20, 20, 20, 54, 0, 54, 54, 54, & ! 9 \n & 54, 54, 54, 54, 54, 55, 0, 55, 55, 55, & ! O \n & 55, 55, 55, 55, 55, 43, 0, 43, 43, 43, & ! 1 \n & 43, 43, 43, 43, 43, 57, 0, 57, 57, 57, & ! 2 \n & 57, 57, 57, 57, 57, 66, 0, 66, 66, 66, & ! 3 \n & 66, 66, 66, 66, 66, 75, 0, 75, 75, 75, & ! 4 \n & 75, 75, 75, 75, 75, 69, 0, 69, 69, 69, & ! 5 \n & 69, 69, 69, 69, 69, 79, 0, 79, 79, 79, & ! 6 \n & 79, 79, 79, 79, 79, 80, 0, 80, 80, 80, & ! 7 \n & 80, 80, 80, 80, 80, 76, 0, 76, 76, 76, & ! 8 \n & 76, 76, 76, 76, 76, 77, 0, 77, 77, 77, & ! 9 \n & 77, 77, 77, 77, 77, 81, 0, 81, 81, 81, & ! O \n & 81, 81, 81, 81, 81, 83, 0, 83, 83, 83, & ! 1 \n & 83, 83, 83, 83, 83, 84, 0, 84, 84, 84, & ! 2 \n & 84, 84, 84, 84, 84, 70, 0, 70, 70, 70, & ! 3 \n & 70, 70, 70, 70, 70, 42, 0, 42, 42, 42, & ! 4 \n & 42, 42, 42, 42, 42, 0, 63, 0, 57, 57, & ! 5 \n & 57, 0, 0, 0, 0, 0, 65, 0, 66, 66, & ! 6 \n & 66, 0, 0, 0, 0, 0, 95, 0, 66, 66, & ! 7 \n & 66, 0, 0, 0, 0, 0, 68, 0, 66, 66, & ! 8 \n & 66, 0, 0, 0, 0, 42, 0, 66, 66, 66, & ! 9 \n & 66, 66, 66, 66, 66, 87, 0, 87, 87, 87, & ! O \n & 87, 87, 87, 87, 87, 89, 0, 89, 89, 89, & ! 1 \n & 89, 89, 89, 89, 89, 0, 23, 9, 23, 31, & ! 2 \n & 23, 9, 23, 57, 23, 9, 47, 31, 23, 9, & ! 3 \n & 47, 51, 9, 92, 11, 0, 87, 87, 87, 87, & ! 4 \n & 87, 50, 31, 47, 107, 9, 9, 31, 31, 31, & ! 5 \n & 31, 31, 31, 31, 23, 23, 52, 48, 23, 125, & ! 6 \n & 48, 31, 23, 57, 23, 31, 47, 57, 31, 31, & ! 7 \n & 31, 50, 31, 47, 66, 50, 31, 47, 66, 0, & ! 8 \n & 0, 2, 0, 0, 1, 1, 0, 9, 0, 1, & ! 9 \n & 1, 0, 1, 5, 1, 5, 0, 135, 135, 0, & ! O \n & 11, 11, 25, 20, 29, 23, 23, 1, 11, 11, & ! 1 \n & 12, 31, 36, 9, 9, 9, 143, 39, 24, 11, & ! 2 \n & 12, 0, 29, 23, 135, 0, 135, 135, 135, 135, & ! 3 \n & 135, 135, 135, 135, 146, 0, 146, 146, 146, 146, & ! 4 \n & 146, 146, 146, 146, 147, 0, 147, 147, 147, 147, & ! 5 \n & 147, 147, 147, 147, 19, 23, 31, 143, 31, 31, & ! 6 \n & 12, 23, 23, 23, 23, 23, 11, 31, 31, 31, & ! 7 \n & 31, 31, 31, 31, 23, 23, 23, 31, 143, 149, & ! 8 \n & 150, 151, 152, 153, 154, 155, 156, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 7, 160, 161, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 182, 0, 184, 0, & ! 3 \n & 187, 188, 188, 188, 188, 188, 193, 193, 193, 193, & ! 4 \n & 193, 0/ ! 5 \n\n DATA ( IRR( IRXXN, 6 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 9, 0, 0, 0, 0, 7, 0, & ! 3 \n & 0, 0, 0, 18, 0, 11, 0, 0, 1, 0, & ! 4 \n & 0, 0, 0, 0, 22, 0, 0, 0, 0, 22, & ! 5 \n & 0, 0, 0, 0, 19, 1, 4, 1, 11, 0, & ! 6 \n & 0, 0, 0, 0, 23, 31, 4, 31, 23, 33, & ! 7 \n & 33, 23, 33, 0, 0, 13, 38, 4, 38, 23, & ! 8 \n & 13, 13, 38, 31, 13, 0, 0, 13, 20, 4, & ! 9 \n & 20, 13, 25, 25, 20, 23, 38, 13, 0, 0, & ! O \n & 0, 0, 31, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 12, 0, 19, 0, & ! O \n & 31, 32, 0, 56, 12, 58, 31, 0, 0, 13, & ! 1 \n & 13, 19, 9, 24, 9, 24, 23, 23, 75, 0, & ! 2 \n & 0, 78, 12, 25, 0, 25, 0, 31, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 24, 23, 25, 24, 23, & ! 4 \n & 0, 24, 25, 31, 23, 7, 0, 25, 58, 23, & ! 5 \n & 0, 66, 31, 23, 23, 29, 49, 29, 1, 1, & ! 6 \n & 0, 20, 0, 23, 12, 23, 0, 19, 13, 9, & ! 7 \n & 32, 32, 13, 13, 12, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 11, 11, 11, & ! 9 \n & 11, 11, 11, 11, 11, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 56, 12, 59, 19, & ! 2 \n & 24, 19, 24, 0, 24, 12, 23, 51, 24, 51, & ! 3 \n & 23, 23, 0, 23, 20, 0, 75, 75, 75, 75, & ! 4 \n & 75, 23, 9, 50, 0, 12, 12, 9, 9, 9, & ! 5 \n & 9, 9, 9, 23, 33, 24, 23, 49, 24, 0, & ! 6 \n & 23, 9, 24, 66, 24, 9, 48, 66, 9, 9, & ! 7 \n & 9, 23, 9, 50, 107, 23, 9, 50, 133, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 12, 0, 11, 23, 56, 24, 11, 23, 12, & ! 1 \n & 25, 90, 0, 23, 23, 11, 39, 23, 58, 39, & ! 2 \n & 23, 0, 0, 143, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 56, 23, 23, 143, 143, & ! 6 \n & 0, 24, 24, 24, 24, 24, 31, 23, 23, 52, & ! 7 \n & 48, 23, 23, 143, 24, 24, 24, 143, 49, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 9, 0, 9, 0, & ! 3 \n & 0, 189, 189, 189, 189, 189, 194, 194, 194, 194, & ! 4 \n & 194, 0/ ! 5 \n\n DATA ( IRR( IRXXN, 7 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 5, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 13, 0, 9, 0, 19, 0, & ! 6 \n & 0, 0, 0, 0, 31, 32, 9, 32, 31, 32, & ! 7 \n & 32, 31, 32, 0, 0, 38, 23, 9, 23, 38, & ! 8 \n & 0, 0, 23, 32, 0, 0, 0, 20, 25, 9, & ! 9 \n & 25, 25, 0, 0, 25, 31, 23, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 53, 33, 0, 32, 0, 31, 33, 0, 0, 31, & ! 1 \n & 33, 0, 0, 58, 0, 58, 24, 24, 69, 0, & ! 2 \n & 0, 0, 78, 0, 0, 0, 0, 67, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 58, 12, 39, 58, 12, & ! 4 \n & 0, 58, 23, 53, 12, 31, 0, 39, 31, 31, & ! 5 \n & 0, 39, 24, 50, 31, 12, 50, 23, 47, 23, & ! 6 \n & 0, 0, 0, 53, 13, 24, 0, 39, 46, 0, & ! 7 \n & 13, 13, 1, 5, 13, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 85, 13, 32, 23, & ! 2 \n & 58, 12, 58, 0, 58, 13, 24, 23, 58, 23, & ! 3 \n & 24, 24, 0, 86, 84, 0, 69, 69, 69, 69, & ! 4 \n & 69, 24, 49, 23, 0, 60, 13, 23, 23, 23, & ! 5 \n & 23, 23, 23, 56, 32, 58, 24, 23, 58, 0, & ! 6 \n & 24, 23, 58, 0, 58, 19, 23, 0, 23, 23, & ! 7 \n & 23, 24, 49, 23, 0, 24, 49, 23, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 33, 49, 58, 23, 24, 29, & ! 1 \n & 0, 67, 0, 55, 24, 23, 23, 24, 31, 23, & ! 2 \n & 143, 0, 0, 56, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 148, 24, 24, 23, 49, & ! 6 \n & 0, 58, 58, 58, 58, 58, 23, 33, 24, 23, & ! 7 \n & 49, 24, 24, 48, 58, 58, 58, 49, 50, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 190, 190, 190, 190, 190, 197, 197, 197, 197, & ! 4 \n & 197, 0/ ! 5 \n\n DATA ( IRR( IRXXN, 8 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 5, 0, 19, 0, 13, 0, & ! 6 \n & 0, 0, 0, 0, 32, 33, 31, 33, 33, 13, & ! 7 \n & 13, 32, 13, 0, 0, 23, 0, 38, 0, 13, & ! 8 \n & 0, 0, 0, 33, 0, 0, 0, 25, 0, 20, & ! 9 \n & 0, 0, 0, 0, 0, 32, 13, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 33, 12, 0, 0, 0, 49, 32, 0, 0, 61, & ! 1 \n & 59, 0, 0, 55, 0, 66, 58, 58, 76, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 61, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 31, 13, 12, 31, 13, & ! 4 \n & 0, 31, 24, 56, 13, 53, 0, 23, 49, 12, & ! 5 \n & 0, 0, 58, 12, 24, 20, 23, 24, 23, 24, & ! 6 \n & 0, 0, 0, 56, 20, 58, 0, 12, 56, 0, & ! 7 \n & 46, 9, 0, 0, 75, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 32, 20, 0, 12, & ! 2 \n & 56, 13, 32, 0, 56, 20, 58, 24, 56, 24, & ! 3 \n & 58, 58, 0, 56, 83, 0, 9, 9, 9, 9, & ! 4 \n & 9, 58, 50, 24, 0, 75, 0, 24, 24, 24, & ! 5 \n & 24, 24, 24, 54, 0, 59, 58, 24, 56, 0, & ! 6 \n & 58, 24, 33, 0, 56, 49, 24, 0, 24, 24, & ! 7 \n & 24, 58, 50, 24, 0, 58, 50, 24, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 53, 32, 31, 24, 58, 0, & ! 1 \n & 0, 0, 0, 46, 58, 24, 24, 58, 49, 24, & ! 2 \n & 56, 0, 0, 32, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 58, 58, 24, 50, & ! 6 \n & 0, 90, 90, 90, 90, 90, 56, 32, 58, 24, & ! 7 \n & 23, 58, 58, 23, 64, 90, 90, 50, 51, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 191, 191, 191, 191, 193, 195, 195, 195, 195, & ! 4 \n & 195, 0/ ! 5 \n\n DATA ( IRR( IRXXN, 9 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 13, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 33, 13, 23, 13, 32, 0, & ! 7 \n & 0, 33, 0, 0, 0, 5, 0, 23, 0, 0, & ! 8 \n & 0, 0, 0, 38, 0, 0, 0, 5, 0, 25, & ! 9 \n & 0, 0, 0, 0, 0, 33, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 32, 11, 0, 0, 0, 50, 0, 0, 0, 32, & ! 1 \n & 62, 0, 0, 31, 0, 31, 55, 66, 77, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 49, 75, 75, 49, 75, & ! 4 \n & 0, 49, 58, 72, 20, 32, 0, 12, 56, 13, & ! 5 \n & 0, 0, 53, 13, 58, 87, 24, 58, 24, 58, & ! 6 \n & 0, 0, 0, 33, 60, 7, 0, 13, 32, 0, & ! 7 \n & 33, 0, 0, 0, 4, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 60, 0, 53, & ! 2 \n & 33, 20, 0, 0, 97, 60, 56, 58, 92, 58, & ! 3 \n & 82, 56, 0, 59, 23, 0, 11, 11, 11, 11, & ! 4 \n & 11, 53, 23, 58, 0, 0, 0, 58, 58, 58, & ! 5 \n & 58, 58, 58, 85, 0, 88, 56, 58, 33, 0, & ! 6 \n & 56, 58, 59, 0, 33, 50, 58, 0, 58, 58, & ! 7 \n & 58, 53, 23, 58, 0, 53, 23, 58, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 31, 0, 49, 58, 55, 0, & ! 1 \n & 0, 0, 0, 31, 66, 58, 58, 31, 144, 58, & ! 2 \n & 32, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 97, 56, 58, 51, & ! 6 \n & 0, 0, 0, 0, 0, 0, 54, 0, 59, 58, & ! 7 \n & 24, 56, 56, 24, 0, 64, 64, 51, 23, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 192, 193, 193, 193, 194, 196, 196, 196, 196, & ! 4 \n & 196, 0/ ! 5 \n\n DATA ( IRR( IRXXN, 10 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 13, 0, 13, 0, 13, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 13, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 13, & ! 9 \n & 0, 0, 0, 0, 0, 13, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 56, 0, 0, 0, 0, & ! 1 \n & 32, 0, 0, 46, 0, 46, 66, 69, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 53, 69, 69, 53, 69, & ! 4 \n & 0, 53, 12, 61, 69, 0, 0, 20, 85, 20, & ! 5 \n & 0, 0, 56, 20, 53, 57, 58, 56, 58, 20, & ! 6 \n & 0, 0, 0, 71, 75, 53, 0, 20, 0, 0, & ! 7 \n & 31, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 56, & ! 2 \n & 32, 54, 0, 0, 82, 89, 93, 53, 93, 12, & ! 3 \n & 67, 66, 0, 31, 55, 0, 13, 13, 13, 13, & ! 4 \n & 13, 56, 24, 53, 0, 0, 0, 71, 71, 71, & ! 5 \n & 71, 71, 71, 32, 0, 32, 33, 53, 59, 0, & ! 6 \n & 33, 12, 88, 0, 59, 23, 56, 0, 71, 71, & ! 7 \n & 71, 56, 24, 53, 0, 56, 24, 53, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 32, 0, 50, 55, 66, 0, & ! 1 \n & 0, 0, 0, 56, 46, 66, 139, 53, 32, 76, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 144, 97, 56, 23, & ! 6 \n & 0, 0, 0, 0, 0, 0, 85, 0, 88, 56, & ! 7 \n & 58, 33, 33, 58, 0, 0, 0, 23, 24, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 193, 194, 194, 194, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0/ ! 5 \n\n DATA ( IRR( IRXXN, 11 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 5, 0, 33, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 33, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 56, 0, 33, 31, 70, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 59, 50, 0, 59, 50, & ! 4 \n & 0, 71, 13, 32, 60, 0, 0, 49, 61, 69, & ! 5 \n & 0, 0, 85, 57, 56, 0, 20, 33, 56, 56, & ! 6 \n & 0, 0, 0, 32, 0, 86, 0, 28, 0, 0, & ! 7 \n & 59, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 54, & ! 2 \n & 0, 60, 0, 0, 32, 84, 82, 97, 82, 13, & ! 3 \n & 102, 67, 0, 104, 104, 0, 20, 20, 20, 20, & ! 4 \n & 20, 59, 58, 56, 0, 0, 0, 45, 61, 61, & ! 5 \n & 61, 61, 61, 0, 0, 0, 59, 56, 88, 0, & ! 6 \n & 85, 13, 86, 0, 88, 24, 33, 0, 61, 61, & ! 7 \n & 61, 59, 58, 56, 0, 59, 58, 56, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 56, 57, 31, 0, & ! 1 \n & 0, 0, 0, 33, 31, 69, 53, 82, 0, 77, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 145, 82, 93, 24, & ! 6 \n & 0, 0, 0, 0, 0, 0, 32, 0, 32, 33, & ! 7 \n & 53, 59, 59, 56, 0, 0, 0, 24, 58, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 194, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0/ ! 5 \n\n DATA ( IRR( IRXXN, 12 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 32, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 59, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 33, 0, 59, 33, 31, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 72, 56, 0, 72, 56, & ! 4 \n & 0, 61, 75, 0, 50, 0, 0, 56, 32, 60, & ! 5 \n & 0, 0, 59, 75, 59, 0, 56, 59, 33, 54, & ! 6 \n & 0, 0, 0, 0, 0, 32, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 71, & ! 2 \n & 0, 28, 0, 0, 0, 66, 86, 73, 94, 20, & ! 3 \n & 0, 0, 0, 94, 0, 0, 60, 60, 60, 60, & ! 4 \n & 60, 88, 12, 59, 0, 0, 0, 73, 45, 45, & ! 5 \n & 62, 45, 62, 0, 0, 0, 88, 33, 72, 0, & ! 6 \n & 59, 20, 32, 0, 72, 58, 59, 0, 45, 62, & ! 7 \n & 62, 88, 12, 85, 0, 88, 12, 33, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 33, 66, 49, 0, & ! 1 \n & 0, 0, 0, 59, 33, 70, 56, 144, 0, 31, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 32, 32, 82, 58, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 59, & ! 7 \n & 56, 88, 97, 33, 0, 0, 0, 58, 139, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 195, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0/ ! 5 \n\n DATA ( IRR( IRXXN, 13 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 32, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 59, 0, 64, 59, 46, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 71, 67, 0, 71, 67, & ! 4 \n & 0, 62, 69, 0, 56, 0, 0, 32, 0, 50, & ! 5 \n & 0, 0, 72, 69, 61, 0, 54, 67, 55, 33, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 32, & ! 2 \n & 0, 0, 0, 0, 0, 0, 32, 74, 102, 56, & ! 3 \n & 0, 0, 0, 55, 0, 0, 12, 12, 12, 12, & ! 4 \n & 12, 61, 53, 88, 0, 0, 0, 74, 90, 90, & ! 5 \n & 45, 90, 45, 0, 0, 0, 72, 59, 64, 0, & ! 6 \n & 88, 33, 67, 0, 93, 12, 88, 0, 73, 45, & ! 7 \n & 45, 72, 13, 59, 0, 72, 13, 59, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 59, 42, 50, 0, & ! 1 \n & 0, 0, 0, 72, 59, 31, 71, 145, 0, 53, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 144, 53, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 88, & ! 7 \n & 33, 72, 93, 59, 0, 0, 0, 53, 53, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 196, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0/ ! 5 \n\n DATA ( IRR( IRXXN, 14 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 64, 0, 32, 64, 59, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 61, 0, 0, 61, 0, & ! 4 \n & 0, 73, 76, 0, 32, 0, 0, 0, 0, 56, & ! 5 \n & 0, 0, 64, 60, 86, 0, 33, 0, 59, 55, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 66, 0, 60, & ! 3 \n & 0, 0, 0, 9, 0, 0, 0, 1, 66, 66, & ! 4 \n & 19, 62, 13, 61, 0, 0, 0, 81, 73, 73, & ! 5 \n & 90, 73, 90, 0, 0, 0, 32, 88, 67, 0, & ! 6 \n & 97, 55, 0, 0, 82, 13, 72, 0, 74, 90, & ! 7 \n & 90, 61, 20, 88, 0, 61, 20, 88, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 32, 47, 56, 0, & ! 1 \n & 0, 0, 0, 32, 64, 46, 144, 32, 0, 56, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 67, 56, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 72, & ! 7 \n & 59, 64, 82, 88, 0, 0, 0, 56, 56, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0/ ! 5 \n\n DATA ( IRR( IRXXN, 15 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 32, 0, 0, 67, 71, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 67, 0, 0, 67, 0, & ! 4 \n & 0, 74, 77, 0, 0, 0, 0, 0, 0, 32, & ! 5 \n & 0, 0, 71, 35, 67, 0, 55, 0, 88, 59, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 32, 0, 83, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 22, 0, & ! 4 \n & 0, 67, 56, 86, 0, 0, 0, 96, 74, 74, & ! 5 \n & 73, 74, 73, 0, 0, 0, 67, 72, 0, 0, & ! 6 \n & 92, 59, 0, 0, 64, 20, 86, 0, 81, 73, & ! 7 \n & 73, 62, 56, 92, 0, 62, 56, 92, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 31, 33, 0, & ! 1 \n & 0, 0, 0, 0, 67, 59, 32, 0, 0, 61, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 59, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 32, & ! 7 \n & 88, 67, 144, 72, 0, 0, 0, 59, 59, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0/ ! 5 \n\n DATA ( IRR( IRXXN, 16 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 72, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 82, 81, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 61, 85, 0, 0, 59, 0, 57, 88, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 84, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 107, 59, 67, 0, 0, 0, 110, 81, 81, & ! 5 \n & 74, 81, 74, 0, 0, 0, 0, 64, 0, 0, & ! 6 \n & 93, 88, 0, 0, 32, 56, 32, 0, 64, 74, & ! 7 \n & 74, 93, 59, 93, 0, 93, 59, 93, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 56, 59, 0, & ! 1 \n & 0, 0, 0, 0, 0, 71, 0, 0, 0, 73, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 88, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 67, & ! 7 \n & 72, 0, 145, 92, 0, 0, 0, 88, 88, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0/ ! 5 \n\n DATA ( IRR( IRXXN, 17 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 61, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 67, 83, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 67, 56, 0, 0, 72, 0, 72, 57, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 70, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 88, 107, 0, 0, 0, 0, 67, 67, & ! 5 \n & 81, 91, 81, 0, 0, 0, 0, 67, 0, 0, & ! 6 \n & 82, 57, 0, 0, 67, 54, 67, 0, 67, 81, & ! 7 \n & 81, 82, 88, 82, 0, 82, 88, 82, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 33, 72, 0, & ! 1 \n & 0, 0, 0, 0, 0, 72, 0, 0, 0, 74, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 71, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 64, 0, 32, 93, 0, 0, 0, 71, 71, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0/ ! 5 \n\n DATA ( IRR( IRXXN, 18 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 73, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 84, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 67, 0, 0, 66, 0, 66, 72, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 66, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 57, 0, 0, 0, 0, 0, 96, 96, & ! 5 \n & 67, 67, 91, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 64, 60, 0, 0, 0, 33, 0, 0, 112, 91, & ! 7 \n & 91, 64, 57, 86, 0, 64, 57, 86, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 59, 64, 0, & ! 1 \n & 0, 0, 0, 0, 0, 61, 0, 0, 0, 82, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 62, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 67, 0, 67, 82, 0, 0, 0, 62, 62, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0/ ! 5 \n\n DATA ( IRR( IRXXN, 19 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 74, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 70, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 64, 0, 64, 66, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 67, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 71, 0, 0, 0, 0, 0, 112, 114, & ! 5 \n & 96, 96, 67, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 32, 35, 0, 0, 0, 55, 0, 0, 0, 64, & ! 7 \n & 64, 67, 60, 67, 0, 67, 60, 67, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 88, 67, 0, & ! 1 \n & 0, 0, 0, 0, 0, 73, 0, 0, 0, 144, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 93, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 144, 0, 0, 0, 93, 93, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0/ ! 5 \n\n DATA ( IRR( IRXXN, 20 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 67, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 31, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 67, 0, 42, 64, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 62, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 114, 114, 96, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 67, 66, 0, 0, 0, 59, 0, 0, 0, 67, & ! 7 \n & 67, 107, 35, 107, 0, 133, 35, 133, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 72, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 74, 0, 0, 0, 145, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 82, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 145, 0, 0, 0, 82, 82, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0/ ! 5 \n\n DATA ( IRR( IRXXN, 21 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 50, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 86, 32, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 66, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 114, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 32, 0, 0, 0, 43, 0, 0, 0, 114, & ! 7 \n & 130, 0, 61, 0, 0, 0, 61, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 64, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 67, 0, 0, 0, 67, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 73, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 32, 0, 0, 0, 73, 73, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0/ ! 5 \n\n DATA ( IRR( IRXXN, 22 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 56, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 32, 67, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 67, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 67, 0, 0, 0, 57, 0, 0, 0, 0, & ! 7 \n & 0, 0, 62, 0, 0, 0, 62, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 86, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 74, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 67, 0, 0, 0, 74, 74, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0/ ! 5 \n\n DATA ( IRR( IRXXN, 23 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 61, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 67, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 107, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 72, 0, 0, 0, 0, & ! 7 \n & 0, 0, 92, 0, 0, 0, 92, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 67, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 91, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 91, 91, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0/ ! 5 \n\n DATA ( IRR( IRXXN, 24 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 67, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 60, 0, 0, 0, 0, & ! 7 \n & 0, 0, 82, 0, 0, 0, 82, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 144, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 144, 144, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0/ ! 5 \n\n DATA ( IRR( IRXXN, 25 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 28, 0, 0, 0, 0, & ! 7 \n & 0, 0, 66, 0, 0, 0, 66, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 67, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 67, 67, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0/ ! 5 \n\n DATA ( IRR( IRXXN, 26 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 35, 0, 0, 0, 0, & ! 7 \n & 0, 0, 67, 0, 0, 0, 67, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0/ ! 5 \n\n DATA ( IRR( IRXXN, 27 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 66, 0, 0, 0, 0, & ! 7 \n & 0, 0, 107, 0, 0, 0, 133, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0/ ! 5 \n\n DATA ( IRR( IRXXN, 28 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 32, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0/ ! 5 \n\n DATA ( IRR( IRXXN, 29 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 67, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0/ ! 5 \n\n DATA ( RTDAT( 1,IRXXN ), IRXXN = 1, NRXNS ) / & \n & 1.0000D+00, 5.6800D-34, 8.0000D-12, 9.0000D-32, 5.5000D-12, & ! O \n & 2.5000D-31, 3.0000D-12, 1.4000D-13, 1.8000D-11, 3.3000D-39, & ! + \n & 3.6000D-30, 1.3000D-03, 1.0000D-22, 0.0000D+00, 4.5000D-14, & ! 1 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.6300D-10, & ! + \n & 2.3800D-11, 7.0000D-31, 1.0000D+00, 2.5000D-12, 3.2000D-30, & ! 2 \n & 2.0000D-11, 2.4000D-14, 1.0000D+00, 1.4400D-13, 1.7000D-12, & ! + \n & 3.6000D-12, 2.0000D-31, 3.7200D-05, 1.0000D+00, 1.3000D-12, & ! 3 \n & 2.0300D-16, 2.2000D-13, 3.0800D-34, 4.0000D-12, 8.5000D-13, & ! + \n & 1.0000D+00, 1.8000D-12, 4.8000D-11, 3.3000D-31, 7.7000D-12, & ! 4 \n & 2.3000D-12, 3.4600D-13, 3.3400D-14, 1.3000D-12, 6.3900D-14, & ! + \n & 7.4000D-13, 2.6000D-12, 3.8000D-13, 2.3000D-12, 2.0000D-13, & ! 5 \n & 3.5000D-14, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 2.7000D-28, 4.9000D-03, 1.0000D+00, & ! 6 \n & 7.5000D-12, 5.2000D-13, 1.0000D+00, 2.0000D-12, 4.4000D-13, & ! + \n & 1.0000D+00, 2.9000D-12, 1.2100D-11, 8.3000D+16, 1.0000D+00, & ! 7 \n & 6.7000D-12, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.3700D-11, 7.9000D+16, & ! 8 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 9 \n & 1.0000D+00, 1.6000D+16, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! O \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 2.4000D-11, 7.5000D+14, & ! + \n & 2.3000D-11, 1.0000D+00, 1.0000D-03, 1.0000D+00, 1.0000D+00, & ! 1 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 2 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 3 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 4 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 5 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 6 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 7 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 8 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 9 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! O \n & 5.4000D-12, 2.0000D-12, 4.4000D-12, 1.0000D+00, 1.4000D-12, & ! + \n & 5.1000D-12, 1.0000D+00, 1.4000D-12, 4.5600D-14, 5.0000D-01, & ! 1 \n & 1.3000D-12, 1.7500D-01, 2.8500D-12, 4.5000D-13, 4.2000D-14, & ! + \n & 1.2000D-12, 3.8000D-12, 1.0000D+00, 2.5000D-11, 1.0000D+00, & ! 2 \n & 5.6000D-11, 1.0000D+00, 1.4100D-10, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 3.1000D-12, 2.8000D-12, 1.0000D+00, 1.5000D-11, & ! 3 \n & 1.4000D-12, 1.0000D+00, 1.7000D-12, 1.4000D-11, 3.5000D-12, & ! + \n & 1.5000D-03, 1.5000D-02, 1.2000D-11, 6.0000D-02, 1.3400D-12, & ! 4 \n & 7.4000D-11, 9.6600D-18, 1.0000D+00, 7.4000D-11, 9.6600D-18, & ! + \n & 1.0000D+00, 9.3500D-11, 1.4300D-17, 8.0000D-12, 1.4000D-15, & ! 5 \n & 1.5000D-12, 6.3400D-12, 1.0000D+00, 2.6000D-12, 8.5000D-16, & ! + \n & 4.3200D-12, 1.0000D+00, 6.1900D-11, 4.1800D-18, 1.0000D-13, & ! 6 \n & 1.0000D+00, 1.5500D-11, 4.8600D-03, 7.2000D-12, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.9900D-11, 1.4000D-15, & ! 7 \n & 1.1800D-15, 2.3700D-12, 1.0000D+00, 5.2800D-12, 1.0000D+00, & ! + \n & 6.4200D-12, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 8 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 9 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! O \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 1 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 2 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 3 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 4 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 5 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 6 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 7 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 8 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 9 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! O \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 1 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 2 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 3 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 4 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 5 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 6 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 7 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 8 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 9 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! O \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 1 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 2 \n & 1.8500D-12, 1.0000D-28, 9.1400D-15, 3.3000D-12, 1.0700D-11, & ! + \n & 4.8500D-12, 5.5100D-15, 4.5900D-13, 1.0200D-11, 1.4800D-11, & ! 3 \n & 1.3400D-14, 1.0000D-13, 2.2600D-11, 2.5400D-11, 7.8600D-15, & ! + \n & 3.0300D-12, 3.5000D-11, 1.9000D-11, 4.7500D-12, 1.0000D+00, & ! 4 \n & 5.7800D-11, 2.0600D-13, 2.6000D-12, 2.0000D-13, 3.5000D-14, & ! + \n & 4.4000D-13, 1.2100D-11, 5.0000D-16, 1.1900D-12, 3.2000D-11, & ! 5 \n & 5.5000D-30, 1.0000D-14, 2.3300D-12, 1.8100D-12, 2.3100D-11, & ! + \n & 1.3600D-11, 1.4300D-11, 3.2500D-11, 5.4900D-13, 1.3400D-12, & ! 6 \n & 1.4900D-12, 1.5100D-12, 3.7500D-12, 2.7000D-12, 2.7000D-12, & ! + \n & 6.7200D-12, 3.1900D-15, 5.3700D-13, 1.6100D-11, 1.2600D-11, & ! 7 \n & 8.5900D-15, 2.3100D-13, 1.4300D-11, 7.8400D-12, 3.0900D-11, & ! + \n & 3.0900D-11, 2.2700D-11, 8.2800D-16, 1.3300D-12, 4.0200D-11, & ! 8 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 7.6000D-32, 1.0000D+00, 1.3000D-30, 1.8000D-31, 1.0000D+00, & ! 9 \n & 1.0000D+00, 3.4400D-11, 9.4100D-12, 2.8000D-11, 2.4000D-11, & ! + \n & 6.2000D-12, 1.8000D-31, 1.0000D+00, 1.0000D+00, 4.4800D-05, & ! O \n & 6.2000D-12, 2.2000D-12, 1.0000D+00, 1.2500D-11, 1.7000D-12, & ! + \n & 3.9000D-11, 8.1000D-11, 8.0000D-11, 5.5000D-11, 1.2300D-10, & ! 1 \n & 7.7000D-11, 3.6000D-11, 1.9200D-10, 2.0000D-10, 8.1000D-11, & ! + \n & 8.0000D-11, 6.2000D-11, 8.0000D-11, 1.6600D-10, 3.0000D-10, & ! 2 \n & 4.2900D-10, 2.9400D-10, 3.8500D-10, 2.3200D-10, 4.1200D-10, & ! + \n & 1.0000D+00, 3.1000D-12, 1.2900D-11, 5.0000D-01, 1.0000D+00, & ! 3 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 4 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 5 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 7.3000D-12, & ! 6 \n & 1.6000D-29, 2.6700D-10, 4.9000D-10, 4.8000D-10, 5.4600D-10, & ! + \n & 5.2000D-30, 6.2000D-11, 1.3500D-10, 1.4000D-10, 1.4400D-10, & ! 7 \n & 2.4200D-10, 8.6000D-11, 8.3000D-11, 1.2000D-10, 1.8600D-10, & ! + \n & 2.6300D-10, 4.2100D-10, 3.9200D-10, 3.7700D-10, 2.1600D-10, & ! 8 \n & 2.6600D-10, 2.6600D-10, 5.4600D-10, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 9 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 5.4000D-12, & ! + \n & 2.0000D-12, 8.1000D-11, 4.4000D-12, 1.0000D+00, 1.4000D-12, & ! O \n & 8.0000D-11, 1.9900D-11, 1.4000D-15, 1.1800D-15, 2.3700D-12, & ! + \n & 1.0000D+00, 2.9400D-10, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 1 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 6.7006D-11, 9.4882D-06, 9.4882D-06, 9.4882D-06, 9.4882D-06, & ! 2 \n & 9.4882D-06, 9.4882D-06, 9.4882D-06, 9.4882D-06, 9.4882D-06, & ! + \n & 9.4882D-06, 9.4882D-06, 9.4882D-06, 9.4882D-06, 9.4882D-06, & ! 3 \n & 9.4882D-06, 2.5000D-12, 1.0000D+00, 2.5000D-12, 1.0000D+00, & ! + \n & 1.2500D-11, 4.0000D-11, 4.0000D-11, 4.0000D-11, 4.0000D-11, & ! 4 \n & 4.0000D-11, 4.0000D-11, 4.0000D-11, 4.0000D-11, 4.0000D-11, & ! + \n & 4.0000D-11, 1.0000D+00/ ! 5 \n\n DATA ( RTDAT( 2,IRXXN ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00,-2.6000D+00, 0.0000D+00,-1.5000D+00, 0.0000D+00, & ! O \n & -1.8000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & -4.1000D+00,-3.5000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00,-2.6000D+00, 0.0000D+00, 0.0000D+00,-4.5000D+00, & ! 2 \n & 0.0000D+00, 4.6000D+02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00,-3.4000D+00,-2.4000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 4.5700D+00, 6.0000D+02, 2.8000D+03, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00,-4.3000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 3.6000D-01,-3.5300D+00, 0.0000D+00,-1.8000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 5.2000D+01, 5.3000D+01, 5.4000D+01, 5.5000D+01, & ! + \n & 5.6000D+01, 5.6000D+01,-7.1000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 5.4000D+01, 0.0000D+00, 0.0000D+00, & ! + \n & 7.0000D+01, 0.0000D+00,-1.0700D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 6.7000D+01, 5.4000D+01, 6.9000D+01, 7.0000D+01, & ! + \n & 7.0000D+01, 7.2000D+01, 7.2000D+01, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 7.6000D+01, 6.7000D+01, 5.4000D+01, 6.9000D+01, & ! + \n & 7.0000D+01, 7.0000D+01, 7.2000D+01, 7.2000D+01, 7.2000D+01, & ! 9 \n & 7.3000D+01, 0.0000D+00, 0.0000D+00, 7.6000D+01, 6.7000D+01, & ! + \n & 5.4000D+01, 6.9000D+01, 7.0000D+01, 7.0000D+01, 7.2000D+01, & ! O \n & 7.2000D+01, 7.2000D+01, 7.2000D+01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 5.3000D+01, 0.0000D+00, 5.2000D+01, 5.3000D+01, & ! 1 \n & 5.4000D+01, 5.5000D+01, 5.6000D+01, 5.6000D+01, 7.0000D+01, & ! + \n & 7.0000D+01, 7.0000D+01, 7.0000D+01, 5.2000D+01, 5.3000D+01, & ! 2 \n & 5.4000D+01, 5.5000D+01, 5.6000D+01, 5.6000D+01, 7.0000D+01, & ! + \n & 7.0000D+01, 7.0000D+01, 7.0000D+01, 5.2000D+01, 5.3000D+01, & ! 3 \n & 5.4000D+01, 5.5000D+01, 5.6000D+01, 5.6000D+01, 7.0000D+01, & ! + \n & 7.0000D+01, 7.0000D+01, 7.0000D+01, 5.2000D+01, 5.3000D+01, & ! 4 \n & 5.4000D+01, 5.5000D+01, 5.6000D+01, 5.6000D+01, 7.0000D+01, & ! + \n & 7.0000D+01, 7.0000D+01, 7.0000D+01, 5.2000D+01, 5.3000D+01, & ! 5 \n & 5.4000D+01, 5.5000D+01, 5.6000D+01, 5.6000D+01, 7.0000D+01, & ! + \n & 7.0000D+01, 7.0000D+01, 7.0000D+01, 5.2000D+01, 5.3000D+01, & ! 6 \n & 5.4000D+01, 5.5000D+01, 5.6000D+01, 5.6000D+01, 7.0000D+01, & ! + \n & 7.0000D+01, 7.0000D+01, 7.0000D+01, 5.2000D+01, 5.3000D+01, & ! 7 \n & 5.4000D+01, 5.5000D+01, 5.6000D+01, 5.6000D+01, 7.0000D+01, & ! + \n & 7.0000D+01, 7.0000D+01, 7.0000D+01, 5.2000D+01, 5.3000D+01, & ! 8 \n & 5.4000D+01, 5.5000D+01, 5.6000D+01, 5.6000D+01, 7.0000D+01, & ! + \n & 7.0000D+01, 7.0000D+01, 7.0000D+01, 5.2000D+01, 5.3000D+01, & ! 9 \n & 5.4000D+01, 5.5000D+01, 5.6000D+01, 5.6000D+01, 7.0000D+01, & ! + \n & 7.0000D+01, 7.0000D+01, 7.0000D+01, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.6500D+00, 0.0000D+00, & ! 1 \n & 2.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 2.0800D+02, 0.0000D+00, 2.1000D+02, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 7.6000D+01, 7.3000D+01, 6.7000D+01, & ! 8 \n & 5.2000D+01, 5.3000D+01, 5.4000D+01, 5.5000D+01, 5.6000D+01, & ! + \n & 5.6000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, & ! 9 \n & 5.2000D+01, 5.3000D+01, 5.4000D+01, 5.5000D+01, 5.6000D+01, & ! + \n & 5.6000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, & ! O \n & 5.2000D+01, 5.3000D+01, 5.4000D+01, 5.5000D+01, 5.6000D+01, & ! + \n & 5.6000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, & ! 1 \n & 5.2000D+01, 5.3000D+01, 5.4000D+01, 5.5000D+01, 5.6000D+01, & ! + \n & 5.6000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, & ! 2 \n & 5.2000D+01, 5.3000D+01, 5.4000D+01, 5.5000D+01, 5.6000D+01, & ! + \n & 5.6000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, & ! 3 \n & 5.2000D+01, 5.3000D+01, 5.4000D+01, 5.5000D+01, 5.6000D+01, & ! + \n & 5.6000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, & ! 4 \n & 5.2000D+01, 5.3000D+01, 5.4000D+01, 5.5000D+01, 5.6000D+01, & ! + \n & 5.6000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, & ! 5 \n & 5.2000D+01, 5.3000D+01, 5.4000D+01, 5.5000D+01, 5.6000D+01, & ! + \n & 5.6000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, & ! 6 \n & 5.2000D+01, 5.3000D+01, 5.4000D+01, 5.5000D+01, 5.6000D+01, & ! + \n & 5.6000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, & ! 7 \n & 5.2000D+01, 5.3000D+01, 5.4000D+01, 5.5000D+01, 5.6000D+01, & ! + \n & 5.6000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, & ! 8 \n & 5.2000D+01, 5.3000D+01, 5.4000D+01, 5.5000D+01, 5.6000D+01, & ! + \n & 5.6000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, & ! 9 \n & 5.2000D+01, 5.3000D+01, 5.4000D+01, 5.5000D+01, 5.6000D+01, & ! + \n & 5.6000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, & ! O \n & 5.2000D+01, 5.3000D+01, 5.4000D+01, 5.5000D+01, 5.6000D+01, & ! + \n & 5.6000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, & ! 1 \n & 5.2000D+01, 5.3000D+01, 5.4000D+01, 5.5000D+01, 5.6000D+01, & ! + \n & 5.6000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, & ! 2 \n & 5.2000D+01, 5.3000D+01, 5.4000D+01, 5.5000D+01, 5.6000D+01, & ! + \n & 5.6000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, & ! 3 \n & 5.2000D+01, 5.3000D+01, 5.4000D+01, 5.5000D+01, 5.6000D+01, & ! + \n & 5.6000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, & ! 4 \n & 5.2000D+01, 5.3000D+01, 5.4000D+01, 5.5000D+01, 5.6000D+01, & ! + \n & 5.6000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, & ! 5 \n & 5.2000D+01, 5.3000D+01, 5.4000D+01, 5.5000D+01, 5.6000D+01, & ! + \n & 5.6000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, & ! 6 \n & 5.2000D+01, 5.3000D+01, 5.4000D+01, 5.5000D+01, 5.6000D+01, & ! + \n & 5.6000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, & ! 7 \n & 5.2000D+01, 5.3000D+01, 5.4000D+01, 5.5000D+01, 5.6000D+01, & ! + \n & 5.6000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, & ! 8 \n & 5.2000D+01, 5.3000D+01, 5.4000D+01, 5.5000D+01, 5.6000D+01, & ! + \n & 5.6000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, & ! 9 \n & 5.2000D+01, 5.3000D+01, 5.4000D+01, 5.5000D+01, 5.6000D+01, & ! + \n & 5.6000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, & ! O \n & 5.2000D+01, 5.3000D+01, 5.4000D+01, 5.5000D+01, 5.6000D+01, & ! + \n & 5.6000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, & ! 1 \n & 5.2000D+01, 5.3000D+01, 5.4000D+01, 5.5000D+01, 5.6000D+01, & ! + \n & 5.6000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, & ! 2 \n & 0.0000D+00,-4.5000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.0000D+00, 2.0000D+00, & ! 6 \n & 2.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 5.8200D+02, 5.8300D+02, 5.8400D+02, 5.8500D+02, 0.0000D+00, & ! + \n & -1.8000D+00, 0.0000D+00,-2.0000D+00,-2.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00,-5.6000D-01, 2.1000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00,-3.4000D+00, 0.0000D+00, 0.0000D+00,-1.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 5.2000D+01, & ! 3 \n & 5.3000D+01, 5.4000D+01, 5.5000D+01, 5.6000D+01, 5.6000D+01, & ! + \n & 7.0000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, 5.2000D+01, & ! 4 \n & 5.3000D+01, 5.4000D+01, 5.5000D+01, 5.6000D+01, 5.6000D+01, & ! + \n & 7.0000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, 5.2000D+01, & ! 5 \n & 5.3000D+01, 5.4000D+01, 5.5000D+01, 5.6000D+01, 5.6000D+01, & ! + \n & 7.0000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, 0.0000D+00, & ! 6 \n & -3.3000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & -2.4000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 6.8800D+02, 5.2000D+01, & ! + \n & 5.3000D+01, 5.2000D+01, 5.3000D+01, 5.2000D+01, 5.3000D+01, & ! 9 \n & 5.2000D+01, 5.3000D+01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 3.4153D-08, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00/ ! 5 \n\n DATA ( RTDAT( 3,IRXXN ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00,-2.0600D+03, 0.0000D+00, 1.8800D+02, & ! O \n & 0.0000D+00,-1.5000D+03,-2.4700D+03, 1.1000D+02, 5.3000D+02, & ! + \n & 0.0000D+00,-1.1000D+04, 0.0000D+00, 0.0000D+00,-1.2600D+03, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 6.0000D+01, & ! + \n & 9.6000D+01, 0.0000D+00, 0.0000D+00, 2.6000D+02, 0.0000D+00, & ! 2 \n & 0.0000D+00, 2.7000D-17, 0.0000D+00, 3.4300D-33,-9.4000D+02, & ! + \n & 2.7000D+02, 0.0000D+00,-1.0650D+04, 0.0000D+00, 3.8000D+02, & ! 3 \n & 6.9300D+02, 1.9000D-33, 2.6600D-54, 0.0000D+00,-2.4500D+03, & ! + \n & 0.0000D+00, 0.0000D+00, 2.5000D+02, 0.0000D+00,-2.1000D+03, & ! 4 \n & 3.6000D+02, 7.8000D+02, 7.8000D+02, 0.0000D+00, 3.6500D+02, & ! + \n & -5.2000D+02, 3.8000D+02, 9.0000D+02, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00,-1.2100D+04, 0.0000D+00, & ! 6 \n & 2.9000D+02, 9.8000D+02, 0.0000D+00, 5.0000D+02, 1.0700D+03, & ! + \n & 0.0000D+00, 5.0000D+02, 0.0000D+00,-1.3940D+04, 0.0000D+00, & ! 7 \n & 3.4000D+02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00,-1.4000D+04, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00,-1.3486D+04, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00,-8.1520D+03, & ! + \n & 1.5000D+02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 1.3500D+02,-2.4310D+03, 3.6500D+02, 0.0000D+00,-1.8600D+03, & ! + \n & 4.0500D+02, 0.0000D+00,-1.6010D+03, 4.2900D+02, 0.0000D+00, & ! 1 \n & -2.5000D+01, 0.0000D+00,-3.4500D+02, 0.0000D+00, 8.5500D+02, & ! + \n & 0.0000D+00, 2.0000D+02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 3.4220D+02,-2.3900D+03, 0.0000D+00, 0.0000D+00, & ! 3 \n & -1.8950D+03, 0.0000D+00, 9.5000D+02, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00,-1.8600D+03, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.8000D+02,-2.1000D+03, & ! 5 \n & -1.8150D+03, 0.0000D+00, 0.0000D+00, 6.1000D+02,-1.5200D+03, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00,-2.5280D+03, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & -1.6900D+03, 0.0000D+00,-2.5800D+03,-2.8800D+03,-8.0000D+02, & ! + \n & 5.0400D+02,-1.8780D+03,-1.1560D+03,-2.8000D+02, 4.4800D+02, & ! 3 \n & -2.2830D+03, 0.0000D+00,-4.0000D+01, 4.1000D+02,-1.9120D+03, & ! + \n & -4.4800D+02, 0.0000D+00, 3.9000D+02, 2.0000D+02, 0.0000D+00, & ! 4 \n & -4.0000D+02, 1.3000D+03, 3.8000D+02, 0.0000D+00, 0.0000D+00, & ! + \n & 1.0700D+03, 4.3600D+02,-5.3000D+02, 4.9000D+02, 0.0000D+00, & ! 5 \n & 0.0000D+00,-4.1000D+03,-1.9300D+02, 3.3800D+02, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 5.3000D+02,-4.9900D+02, & ! 6 \n & -8.7000D+01, 1.2600D+02, 4.4000D+01, 3.7400D+02, 3.7400D+02, & ! + \n & 5.0100D+02,-1.7010D+03,-1.0470D+03,-3.2600D+02, 4.8800D+02, & ! 7 \n & -1.2550D+03, 3.8200D+02, 1.1100D+02, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 4.3500D+02,-7.8500D+02, 4.9000D+02, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00,-2.5000D+02, 0.0000D+00, & ! + \n & 2.9500D+02, 0.0000D+00, 0.0000D+00, 0.0000D+00,-1.2530D+04, & ! O \n & 1.4500D+02, 3.4000D+02, 0.0000D+00,-1.9600D+03,-2.3000D+02, & ! + \n & -2.3100D+03,-3.0000D+01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & -1.0000D+03, 0.0000D+00, 0.0000D+00, 0.0000D+00,-3.0000D+01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00,-1.2800D+03, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 4.5000D+01,-1.0000D+02, 4.0000D+01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.3500D+02, & ! + \n & -2.4310D+03,-3.0000D+01, 3.6500D+02, 0.0000D+00,-1.8600D+03, & ! O \n & 0.0000D+00, 0.0000D+00,-2.5280D+03, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 2.0000D-06, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00/ ! 5 \n INTEGER :: IRRFALL( NFALLOFF )\n\n DATA ( IRRFALL( IRXXN ), IRXXN = 1, NFALLOFF ) / & \n & 4, 6, 11, 12, 22, 25, 27, 29, 32, 33, & \n & 37, 38, 44, 63, 64, 527, 556, 593, 594, 602, & \n & 605, 666, 671, 721/\n\n DATA ( RFDAT( 1,IRXXN ), IRXXN = 1, NFALLOFF ) / & \n & 3.0000D-11, 2.2000D-11, 1.9000D-12, 9.7000D+14, 3.6000D-11, & \n & 3.0000D-11, 2.1990D+03, 0.0000D+00, 2.9000D-12, 5.4200D+15, & \n & 9.8000D+02, 3.1800D+03, 1.6000D-12, 1.2100D-11, 4.0000D+16, & \n & 8.8000D-12, 8.3000D-13, 1.0000D-10, 1.0000D-10, 1.5000D-11, & \n & 3.7100D+15, 3.1000D-10, 2.2000D-10, 1.0743D+01/\n\n DATA ( RFDAT( 2,IRXXN ), IRXXN = 1, NFALLOFF ) / & \n & 0.0000D+00,-7.0000D-01, 2.0000D-01, 1.0000D-01,-1.0000D-01, & \n & 0.0000D+00, 6.5000D-34, 0.0000D+00,-1.1000D+00,-2.3000D+00, & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00,-9.0000D-01, 0.0000D+00, & \n & -8.5000D-01,-2.0000D+00,-1.0000D+00,-1.0000D+00,-1.9000D+00, & \n & 3.5000D+00,-1.0000D+00, 0.0000D+00,-6.7130D-01/\n\n DATA ( RFDAT( 3,IRXXN ), IRXXN = 1, NFALLOFF ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00,-1.1080D+04, 0.0000D+00, & \n & 0.0000D+00, 1.3350D+03, 0.0000D+00, 0.0000D+00,-1.1170D+04, & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00,-1.3600D+04, & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & \n & -1.2530D+04, 0.0000D+00, 0.0000D+00, 0.0000D+00/\n\n DATA ( RFDAT( 4,IRXXN ), IRXXN = 1, NFALLOFF ) / & \n & 6.0000D-01, 6.0000D-01, 3.5000D-01, 3.5000D-01, 6.0000D-01, & \n & 4.1000D-01, 0.0000D+00, 0.0000D+00, 6.0000D-01, 6.0000D-01, & \n & 0.0000D+00, 0.0000D+00, 6.0000D-01, 3.0000D-01, 3.0000D-01, & \n & 6.0000D-01, 6.0000D-01, 6.0000D-01, 6.0000D-01, 6.0000D-01, & \n & 6.0000D-01, 6.0000D-01, 6.0000D-01, 0.0000D+00/\n\n DATA ( RFDAT( 5,IRXXN ), IRXXN = 1, NFALLOFF ) / & \n & 1.0000D+00, 1.0000D+00, 1.3300D+00, 1.3300D+00, 1.0000D+00, & \n & 1.2400D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, & \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.4100D+00, 1.4100D+00, & \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00/\n\n REAL( 8 ) :: SC( NRXNS,MXPRD )\n\n DATA ( SC( IRXXN, 1 ), IRXXN = 1, NRXNS ) / & \n & 1.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, & ! O \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 2.0000D+00, 2.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 2.0000D+00, 2.0000D+00, 1.0000D+00, & ! 1 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 2.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 2 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 6.1000D-01, 1.0000D+00, & ! 3 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 8.0000D-01, 2.0000D+00, & ! + \n & 2.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, & ! 4 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 2.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, 5.0000D-01, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 5.0000D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, 6.0000D-01, & ! 6 \n & 1.0000D+00, 1.0500D-01, 1.0000D+00, 1.0000D-01, 1.0000D+00, & ! + \n & 1.0000D+00, 2.0000D+00, 1.0000D+00, 1.0000D+00, 6.0000D-01, & ! 7 \n & 1.0000D+00, 3.0750D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 2.0000D+00, 2.0000D+00, 1.0000D+00, 1.0000D+00, & ! 8 \n & 6.0000D-01, 1.0000D+00, 3.0750D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 2.0000D+00, 2.0000D+00, 2.0000D+00, & ! 9 \n & 1.0000D+00, 1.0000D+00, 6.0000D-01, 1.0000D+00, 3.0750D-01, & ! + \n & 1.0000D+00, 2.0000D+00, 1.0000D+00, 1.0000D+00, 2.0000D+00, & ! O \n & 1.0000D+00, 1.0000D+00, 2.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 1 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 2 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 3 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 4 \n & 1.0000D+00, 1.5000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 5 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 2.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 6 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 2.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 7 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 2.0000D+00, 1.0000D+00, 1.0000D+00, & ! 8 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 9 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 2.0000D+00, 1.0000D+00, & ! O \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 9.6500D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 6.2000D-01, & ! 1 \n & 9.6700D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 5.0900D-01, & ! + \n & 1.0000D+00, 3.0000D-01, 1.0000D+00, 7.4400D-01, 1.0000D+00, & ! 2 \n & 8.4000D-01, 1.0000D+00, 1.3900D-01, 1.0000D+00, 2.0000D+00, & ! + \n & 1.0000D+00, 7.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 3 \n & 1.0000D+00, 2.0000D+00, 2.0000D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, & ! 4 \n & 2.1700D-01, 8.2600D-01, 1.0230D+00, 2.1700D-01, 8.2600D-01, & ! + \n & 1.0000D+00, 2.0600D-01, 4.7100D-01, 5.0000D-01, 2.0800D-01, & ! 5 \n & 5.0000D-01, 1.0000D+00, 3.3000D-01, 9.7500D-01, 1.6400D-01, & ! + \n & 4.5000D-01, 4.0000D-01, 2.8900D-01, 2.8500D-01, 1.5000D-01, & ! 6 \n & 1.2330D+00, 4.7200D-01, 9.1300D-01, 1.8900D-01, 3.4400D-01, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 2.5000D-01, 8.3000D-01, & ! 7 \n & 3.1000D-02, 1.0000D+00, 1.0660D+00, 9.8000D-01, 1.0000D+00, & ! + \n & 8.0600D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 4.4000D-01, & ! 8 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 9 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! O \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 1 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 2 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 3 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 4 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 5 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 6 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 7 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 8 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 9 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! O \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 1 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 2 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 3 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 4 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 5 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 6 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 7 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 8 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 9 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! O \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 1 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 2 \n & 1.0000D+00, 1.0000D+00, 1.6000D-01, 1.0000D+00, 8.0000D-01, & ! + \n & 9.8400D-01, 1.6500D-01, 9.4900D-01, 4.5000D-01, 9.5100D-01, & ! 3 \n & 8.0000D-02, 8.1500D-01, 2.5000D-01, 9.0700D-01, 6.6000D-02, & ! + \n & 7.4900D-01, 2.5000D-01, 1.0000D+00, 1.6000D-01, 1.0000D+00, & ! 4 \n & 1.0000D+00, 7.2500D-01, 7.2500D-01, 3.6300D-01, 3.6300D-01, & ! + \n & 7.2500D-01, 7.9900D-01, 9.0000D-03, 5.6000D-02, 1.0000D+00, & ! 5 \n & 3.0000D-01, 1.5000D+00, 5.7000D-01, 1.8100D-01, 1.5900D-01, & ! + \n & 1.6100D-01, 1.5900D-01, 2.2000D-02, 9.5000D-01, 1.0000D+00, & ! 6 \n & 9.6500D-01, 6.9500D-01, 8.3000D-01, 6.4700D-01, 1.0000D+00, & ! + \n & 8.7100D-01, 9.5000D-02, 7.7200D-01, 4.5000D-01, 9.1200D-01, & ! 7 \n & 9.4000D-02, 4.0000D-01, 7.9000D-02, 1.2300D-01, 7.7000D-02, & ! + \n & 7.7000D-02, 7.3400D-01, 7.8000D-02, 2.2700D-01, 2.3700D-01, & ! 8 \n & 7.3400D-01, 7.8000D-02, 2.2700D-01, 2.3700D-01, 2.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 9 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! O \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 2.9000D-01, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 1 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 2 \n & 4.0400D-01, 4.8400D-01, 2.5000D-01, 1.2830D+00, 4.0100D-01, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 3 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 4 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 5 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 6 \n & 1.0000D+00, 1.2400D-01, 3.9000D-01, 1.5000D-01, 5.4800D-01, & ! + \n & 1.0000D+00, 8.9400D-01, 8.6400D-01, 8.6400D-01, 8.6400D-01, & ! 7 \n & 8.3800D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 3.8400D-01, 2.7900D-01, 8.4000D-01, & ! 8 \n & 8.2800D-01, 8.2800D-01, 5.4800D-01, 2.5200D-01, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 9 \n & 1.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, & ! O \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 5.0000D-01, 1.0000D+00, 1.0000D+00, & ! 1 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 8.5710D-01, 1.1429D+00, 8.5710D-01, 1.1429D+00, & ! 2 \n & 7.1430D-01, 7.1430D-01, 8.0000D-01, 9.0000D-01, 5.0000D-01, & ! + \n & 5.0000D-01, 1.5000D+00, 1.4286D+00, 1.4286D+00, 1.7143D+00, & ! 3 \n & 1.7143D+00, 1.2500D+00, 1.0000D+00, 1.2500D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 4 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00/ ! 5 \n\n DATA ( SC( IRXXN, 2 ), IRXXN = 1, NRXNS ) / & \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, & ! 1 \n & 0.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 6.1000D-01, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 8.0000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! 4 \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 2.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 7.5000D-01, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 7.5000D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 6.0000D-01, & ! 6 \n & 1.0000D+00, 4.5000D-02, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 2.0000D+00, 0.0000D+00, 1.0000D+00, 6.0000D-01, & ! 7 \n & 1.0000D+00, 1.0250D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 2.0000D+00, 0.0000D+00, 1.0000D+00, & ! 8 \n & 6.0000D-01, 1.0000D+00, 1.0250D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 2.0000D+00, 2.0000D+00, & ! 9 \n & 0.0000D+00, 1.0000D+00, 6.0000D-01, 1.0000D+00, 1.0250D-01, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! O \n & 1.0000D+00, 1.0000D+00, 2.0000D+00, 0.0000D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, & ! 1 \n & 1.0000D+00, 5.0000D-01, 5.0000D-01, 5.0000D-01, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, & ! 2 \n & 1.0000D+00, 5.0000D-01, 5.0000D-01, 5.0000D-01, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, & ! 3 \n & 1.0000D+00, 5.0000D-01, 5.0000D-01, 5.0000D-01, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, & ! 4 \n & 1.0000D+00, 0.0000D+00, 5.0000D-01, 5.0000D-01, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, & ! 5 \n & 1.0000D+00, 5.0000D-01, 5.0000D-01, 5.0000D-01, 0.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, & ! 6 \n & 1.0000D+00, 5.0000D-01, 5.0000D-01, 5.0000D-01, 1.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, & ! 7 \n & 1.0000D+00, 5.0000D-01, 5.0000D-01, 5.0000D-01, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! 8 \n & 1.0000D+00, 5.0000D-01, 5.0000D-01, 5.0000D-01, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, & ! 9 \n & 1.0000D+00, 5.0000D-01, 5.0000D-01, 5.0000D-01, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, & ! O \n & 1.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 3.5000D-02, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.3800D+00, & ! 1 \n & 3.9000D-02, 1.0000D+00, 1.0000D+00, 1.0000D+00, 4.9100D-01, & ! + \n & 1.0000D+00, 3.0000D-01, 1.0000D+00, 2.5100D-01, 1.0000D+00, & ! 2 \n & 2.2200D-01, 1.4200D-01, 1.4800D-01, 1.0000D+00, 2.0000D+00, & ! + \n & 1.0000D+00, 1.4000D+00, 7.0000D-01, 1.0000D+00, 1.0000D+00, & ! 3 \n & 1.0000D+00, 0.0000D+00, 8.0000D-01, 1.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, & ! 4 \n & 7.2300D-01, 5.2200D-01, 1.7300D-01, 7.2300D-01, 5.2200D-01, & ! + \n & 0.0000D+00, 7.3300D-01, 5.5400D-01, 5.0000D-01, 1.0800D-01, & ! 5 \n & 5.0000D-01, 0.0000D+00, 6.7000D-01, 2.5000D-02, 6.4000D-02, & ! + \n & 5.5000D-01, 6.0000D-01, 6.7000D-01, 4.0000D-01, 1.5000D-01, & ! 6 \n & 4.6700D-01, 3.7900D-01, 4.0000D-01, 3.0500D-01, 5.5400D-01, & ! + \n & 0.0000D+00, 2.0000D+00, 1.0000D+00, 7.5000D-01, 3.3000D-01, & ! 7 \n & 9.6700D-01, 0.0000D+00, 1.7800D-01, 2.0000D-02, 1.0000D+00, & ! + \n & 1.9400D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 4.4000D-01, & ! 8 \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 5.0000D-01, 5.0000D-01, & ! + \n & 5.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 9 \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 5.0000D-01, 5.0000D-01, & ! + \n & 5.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! O \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 5.0000D-01, 5.0000D-01, & ! + \n & 5.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 1 \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 5.0000D-01, 5.0000D-01, & ! + \n & 5.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 2 \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 5.0000D-01, 5.0000D-01, & ! + \n & 5.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 3 \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 5.0000D-01, 5.0000D-01, & ! + \n & 5.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 4 \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 5.0000D-01, 5.0000D-01, & ! + \n & 5.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 5 \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 5.0000D-01, 5.0000D-01, & ! + \n & 5.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 6 \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 5.0000D-01, 5.0000D-01, & ! + \n & 5.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 7 \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 5.0000D-01, 5.0000D-01, & ! + \n & 5.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 8 \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 5.0000D-01, 5.0000D-01, & ! + \n & 5.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 9 \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 5.0000D-01, 5.0000D-01, & ! + \n & 5.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! O \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 5.0000D-01, 5.0000D-01, & ! + \n & 5.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 1 \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 5.0000D-01, 5.0000D-01, & ! + \n & 5.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 2 \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 5.0000D-01, 5.0000D-01, & ! + \n & 5.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 3 \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 5.0000D-01, 5.0000D-01, & ! + \n & 5.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 4 \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 5.0000D-01, 5.0000D-01, & ! + \n & 5.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 5 \n & 0.0000D+00, 1.0000D+00, 0.0000D+00, 5.0000D-01, 5.0000D-01, & ! + \n & 5.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 1.0000D+00, 0.0000D+00, 5.0000D-01, 5.0000D-01, & ! + \n & 5.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 1.0000D+00, 0.0000D+00, 5.0000D-01, 5.0000D-01, & ! + \n & 5.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 1.0000D+00, 0.0000D+00, 5.0000D-01, 5.0000D-01, & ! + \n & 5.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 5.0000D-01, 5.0000D-01, & ! + \n & 5.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! O \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 5.0000D-01, 5.0000D-01, & ! + \n & 5.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 1 \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 5.0000D-01, 5.0000D-01, & ! + \n & 5.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 2 \n & 0.0000D+00, 1.0000D+00, 1.6000D-01, 1.0000D+00, 2.9000D-01, & ! + \n & 9.8400D-01, 3.5000D-01, 9.4900D-01, 5.5000D-01, 1.1890D+00, & ! 3 \n & 8.0000D-02, 1.2000D-01, 1.1700D-01, 9.8600D-01, 2.6600D-01, & ! + \n & 1.8700D-01, 2.4000D-01, 1.0000D+00, 1.0000D-01, 9.1000D-01, & ! 4 \n & 0.0000D+00, 2.7500D-01, 2.7500D-01, 1.3800D-01, 1.3800D-01, & ! + \n & 2.7500D-01, 4.0000D-03, 1.0200D-01, 6.4300D-01, 1.0000D+00, & ! 5 \n & 7.0000D-01, 5.0000D-01, 2.9000D-01, 4.5400D-01, 5.2000D-01, & ! + \n & 5.5400D-01, 4.8700D-01, 6.2700D-01, 5.0000D-02, 1.0000D+00, & ! 6 \n & 9.6500D-01, 2.3600D-01, 1.0000D-02, 1.6050D+00, 4.7000D-01, & ! + \n & 1.0000D-03, 5.7000D-02, 1.4630D+00, 3.9000D-01, 9.5300D-01, & ! 7 \n & 4.1000D-02, 4.2600D-01, 7.5100D-01, 5.6600D-01, 6.1700D-01, & ! + \n & 6.1700D-01, 6.4000D-02, 4.6000D-02, 2.8700D-01, 7.6300D-01, & ! 8 \n & 6.4000D-02, 4.6000D-02, 2.8700D-01, 7.6300D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, & ! 9 \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! O \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 1.4200D+00, 0.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 9.0000D-01, & ! 1 \n & 1.0000D+00, 9.7500D-01, 3.8000D-02, 3.1400D-01, 6.3000D-01, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 4.1400D-01, 1.4500D-01, & ! 2 \n & 1.3900D-01, 2.7400D-01, 1.6500D-01, 5.3000D-02, 8.4000D-02, & ! + \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 3 \n & 0.0000D+00, 1.0000D+00, 5.0000D-01, 5.0000D-01, 5.0000D-01, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 4 \n & 0.0000D+00, 1.0000D+00, 5.0000D-01, 5.0000D-01, 5.0000D-01, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 5 \n & 0.0000D+00, 1.0000D+00, 5.0000D-01, 5.0000D-01, 5.0000D-01, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 6 \n & 2.0000D+00, 9.7100D-01, 5.4100D-01, 7.3800D-01, 2.5200D-01, & ! + \n & 1.0000D+00, 8.9400D-01, 8.6400D-01, 8.6400D-01, 8.6400D-01, & ! 7 \n & 8.3800D-01, 6.8800D-01, 1.0000D+00, 9.7000D-01, 8.3500D-01, & ! + \n & 8.2700D-01, 6.4700D-01, 8.7300D-01, 4.5000D-01, 8.4000D-01, & ! 8 \n & 8.2800D-01, 8.2800D-01, 2.5200D-01, 6.8000D-02, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 9 \n & 1.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 5.0000D-01, 1.0000D+00, 1.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! + \n & 1.0000D+00, 4.8570D-01, 3.0030D-01, 3.8560D-01, 2.1810D-01, & ! 4 \n & 2.4120D-01, 6.6640D-01, 2.8580D-01, 3.3030D-01, 3.4440D-01, & ! + \n & 3.8860D-01, 0.0000D+00/ ! 5 \n\n DATA ( SC( IRXXN, 3 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.9000D-01, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.0000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! 4 \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.5000D-01, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.5000D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.0000D-01, & ! 6 \n & 1.0000D+00, 1.5000D-01, 1.0000D+00, 9.0000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.0000D-01, & ! 7 \n & 1.0000D+00, 1.5000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 2.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 4.0000D-01, 1.0000D+00, 1.5000D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 2.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 4.0000D-01, 1.0000D+00, 1.5000D-01, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! O \n & 1.0000D+00, 1.0000D+00, 2.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! + \n & 3.5000D-02, 1.0000D+00, 0.0000D+00, 1.0000D+00, 3.8000D-01, & ! 1 \n & 3.9000D-02, 1.0000D+00, 0.0000D+00, 0.0000D+00, 5.0900D-01, & ! + \n & 1.4300D-01, 7.0000D-01, 1.0000D+00, 4.0000D-03, 1.0000D+00, & ! 2 \n & 2.9000D-02, 7.8200D-01, 5.8900D-01, 5.0000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 3.0000D-01, 1.4000D+00, 1.0000D+00, 0.0000D+00, & ! 3 \n & 1.0000D+00, 0.0000D+00, 8.0000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 6.0000D-02, 6.5200D-01, 3.0500D-01, 6.0000D-02, 6.5200D-01, & ! + \n & 0.0000D+00, 1.1700D-01, 1.3000D-02, 5.0000D-01, 1.0000D-01, & ! 5 \n & 5.0000D-01, 0.0000D+00, 3.4000D-01, 2.5000D-02, 5.0000D-02, & ! + \n & 0.0000D+00, 6.0000D-01, 6.7000D-01, 4.8000D-02, 7.9900D-01, & ! 6 \n & 3.0000D-01, 2.9000D-02, 6.0000D-01, 1.9000D-02, 1.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 0.0000D+00, 2.5000D-01, 1.0050D+00, & ! 7 \n & 3.1000D-02, 0.0000D+00, 2.3400D-01, 2.0000D-02, 1.0000D+00, & ! + \n & 1.9400D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 4.4000D-01, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 5.0000D-01, 5.0000D-01, & ! + \n & 5.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 1.6100D+00, 5.1000D-01, 1.0000D+00, 5.1000D-01, & ! + \n & 1.6000D-02, 3.5500D-01, 5.1000D-02, 0.0000D+00, 4.9000D-02, & ! 3 \n & 2.5500D-01, 1.0550D+00, 1.1800D-01, 9.3000D-02, 1.9200D-01, & ! + \n & 9.3600D-01, 2.4000D-01, 0.0000D+00, 3.5000D-01, 7.5000D-01, & ! 4 \n & 0.0000D+00, 2.7500D-01, 2.7500D-01, 1.3800D-01, 1.3800D-01, & ! + \n & 2.7500D-01, 1.0420D+00, 7.2800D-01, 7.0000D-03, 0.0000D+00, & ! 5 \n & 3.0000D-01, 1.5000D+00, 1.1600D-01, 3.1200D-01, 2.3900D-01, & ! + \n & 1.9800D-01, 2.7800D-01, 2.3000D-01, 5.0000D-02, 1.0000D+00, & ! 6 \n & 3.5000D-02, 1.2530D+00, 1.1000D-02, 3.5300D-01, 0.0000D+00, & ! + \n & 1.2020D+00, 1.2800D-01, 2.2800D-01, 1.6000D-01, 8.8000D-02, & ! 7 \n & 4.4300D-01, 3.5000D-02, 1.7000D-01, 2.0200D-01, 1.7800D-01, & ! + \n & 1.7800D-01, 1.2110D+00, 4.9900D-01, 2.6000D-02, 1.0000D+00, & ! 8 \n & 1.2110D+00, 4.9900D-01, 2.6000D-02, 1.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D-01, & ! 1 \n & 1.0000D+00, 3.9000D-02, 5.5000D-02, 6.8000D-01, 1.2600D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 0.0000D+00, 5.8800D-01, 1.0780D+00, & ! 2 \n & 1.4800D-01, 2.1600D-01, 8.0200D-01, 5.3000D-02, 1.5400D-01, & ! + \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 1.0000D+00, 9.7100D-01, 1.8840D+00, 1.7700D-01, 6.8000D-02, & ! + \n & 0.0000D+00, 1.0600D-01, 1.3600D-01, 1.3600D-01, 1.3600D-01, & ! 7 \n & 1.6200D-01, 3.1200D-01, 1.0000D+00, 9.7000D-01, 9.4000D-02, & ! + \n & 3.0000D-03, 1.5410D+00, 1.6080D+00, 4.4200D-01, 1.6000D-01, & ! 8 \n & 1.7200D-01, 1.7200D-01, 6.8000D-02, 3.4000D-02, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 6.2000D-03, 2.8620D-01, 9.5000D-02, 3.0630D-01, & ! 4 \n & 2.0890D-01, 1.4300D-02, 3.9310D-01, 2.2720D-01, 2.7490D-01, & ! + \n & 2.4210D-01, 0.0000D+00/ ! 5 \n\n DATA ( SC( IRXXN, 4 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.9000D-01, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.0000D-01, & ! 6 \n & 0.0000D+00, 4.4000D-01, 0.0000D+00, 9.0000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.0000D-01, & ! 7 \n & 1.0000D+00, 4.4000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 2.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 4.0000D-01, 1.0000D+00, 4.4000D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 4.0000D-01, 1.0000D+00, 4.4000D-01, & ! + \n & 1.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, & ! O \n & 1.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 3.5000D-02, 1.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! 1 \n & 3.7600D-01, 1.0000D+00, 0.0000D+00, 0.0000D+00, 4.9100D-01, & ! + \n & 1.4200D-01, 0.0000D+00, 0.0000D+00, 4.0000D-03, 0.0000D+00, & ! 2 \n & 2.9000D-02, 7.7000D-02, 1.2400D-01, 5.0000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 3.0000D-01, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 8.0000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 6.0000D-02, 5.2200D-01, 5.0000D-01, 6.0000D-02, 5.2200D-01, & ! + \n & 0.0000D+00, 1.1700D-01, 2.5800D-01, 4.1600D-01, 4.5000D-01, & ! 5 \n & 5.0000D-01, 0.0000D+00, 3.3000D-01, 3.0000D-01, 5.0000D-02, & ! + \n & 0.0000D+00, 4.0000D-01, 4.1000D-02, 4.8000D-02, 7.9900D-01, & ! 6 \n & 1.2330D+00, 4.9000D-02, 1.5900D+00, 3.1300D-01, 7.2100D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.6700D-01, 3.1000D-01, & ! 7 \n & 2.0000D-03, 0.0000D+00, 3.3000D-01, 2.0000D-02, 0.0000D+00, & ! + \n & 1.1000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 4.4000D-01, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 1.9500D-01, 1.2000D-01, 1.0000D+00, 2.9000D-01, & ! + \n & 1.6000D-02, 5.2500D-01, 5.1000D-02, 0.0000D+00, 4.9000D-02, & ! 3 \n & 1.8500D-01, 6.5000D-02, 2.3500D-01, 9.3000D-02, 1.9200D-01, & ! + \n & 6.4000D-02, 1.0000D-02, 0.0000D+00, 5.0000D-02, 4.5000D-01, & ! 4 \n & 0.0000D+00, 2.7500D-01, 2.7500D-01, 1.3800D-01, 1.3800D-01, & ! + \n & 2.7500D-01, 1.9700D-01, 1.0000D-03, 1.0500D+00, 0.0000D+00, & ! 5 \n & 3.0000D-01, 5.0000D-01, 2.9000D-01, 4.5400D-01, 5.2000D-01, & ! + \n & 5.5400D-01, 4.8700D-01, 6.2700D-01, 8.1000D-02, 1.0000D+00, & ! 6 \n & 3.5000D-02, 7.0000D-02, 1.7630D+00, 3.5300D-01, 0.0000D+00, & ! + \n & 1.2800D-01, 9.0000D-02, 2.2800D-01, 0.0000D+00, 8.8000D-02, & ! 7 \n & 3.0700D-01, 1.1930D+00, 0.0000D+00, 5.6600D-01, 6.1700D-01, & ! + \n & 6.1700D-01, 2.0100D-01, 2.0200D-01, 1.7860D+00, 0.0000D+00, & ! 8 \n & 2.0100D-01, 2.0200D-01, 1.7860D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D-01, & ! 1 \n & 1.0000D+00, 3.9000D-02, 1.2820D+00, 1.1600D-01, 3.7000D-01, & ! + \n & 0.0000D+00, 1.0000D+00, 0.0000D+00, 4.1400D-01, 1.1700D-01, & ! 2 \n & 5.8900D-01, 1.0320D+00, 3.3000D-02, 3.2200D-01, 7.3000D-01, & ! + \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 1.0000D+00, 2.9000D-02, 6.9000D-02, 1.1680D+00, 3.4000D-02, & ! + \n & 0.0000D+00, 1.0600D-01, 1.3600D-01, 1.3600D-01, 1.3600D-01, & ! 7 \n & 1.6200D-01, 3.1200D-01, 1.0000D+00, 3.0000D-02, 1.3610D+00, & ! + \n & 4.0000D-03, 3.5200D-01, 1.2700D-01, 1.0000D-03, 1.6000D-01, & ! 8 \n & 1.7200D-01, 1.7200D-01, 3.4000D-02, 5.0000D-02, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 2.5000D-03, 4.1000D-03, 1.3730D-01, 1.5300D-02, & ! 4 \n & 3.0000D-01, 1.2300D-02, 1.3900D-02, 2.6070D-01, 4.9100D-02, & ! + \n & 6.4000D-02, 0.0000D+00/ ! 5 \n\n DATA ( SC( IRXXN, 5 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.0000D-01, & ! 6 \n & 0.0000D+00, 4.4000D-01, 0.0000D+00, 9.0000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.0000D-01, & ! 7 \n & 1.0000D+00, 4.4000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 2.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 4.0000D-01, 0.0000D+00, 4.4000D-01, 0.0000D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 4.0000D-01, 0.0000D+00, 4.4000D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 1.0000D+00, 2.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 3.5000D-02, 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 5.1000D-01, 1.0000D+00, 0.0000D+00, 0.0000D+00, 4.9100D-01, & ! + \n & 4.0000D-01, 0.0000D+00, 0.0000D+00, 7.4400D-01, 0.0000D+00, & ! 2 \n & 8.4000D-01, 7.7000D-02, 1.2400D-01, 5.0000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 2.5000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 5.2100D-01, 1.7400D-01, 6.9500D-01, 5.2100D-01, 1.7400D-01, & ! + \n & 0.0000D+00, 5.6100D-01, 7.0000D-03, 8.4000D-02, 1.1700D-01, & ! 5 \n & 5.0000D-01, 0.0000D+00, 3.3000D-01, 6.7500D-01, 4.7500D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 4.1000D-02, 4.9800D-01, 5.1000D-02, & ! 6 \n & 3.0000D-01, 4.7300D-01, 8.7000D-02, 9.7600D-01, 1.0200D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 8.3000D-02, 5.0000D-01, & ! 7 \n & 2.0000D-03, 0.0000D+00, 1.1880D+00, 2.0000D-02, 0.0000D+00, & ! + \n & 1.1000D-01, 1.0000D+00, 0.0000D+00, 0.0000D+00, 5.6000D-01, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, 5.1000D-01, & ! + \n & 9.8400D-01, 2.1500D-01, 1.0000D+00, 0.0000D+00, 7.0800D-01, & ! 3 \n & 5.0000D-01, 6.5000D-02, 1.5000D-02, 6.2400D-01, 8.0000D-03, & ! + \n & 6.4000D-02, 1.0000D-02, 0.0000D+00, 2.6000D-01, 2.9000D-01, & ! 4 \n & 0.0000D+00, 1.1250D+00, 1.2500D-01, 6.3000D-02, 6.3000D-02, & ! + \n & 1.2500D-01, 1.9700D-01, 2.9700D-01, 2.9300D-01, 0.0000D+00, & ! 5 \n & 7.0000D-01, 0.0000D+00, 2.4000D-02, 5.4000D-02, 8.2000D-02, & ! + \n & 8.7000D-02, 7.6000D-02, 1.2100D-01, 9.5000D-01, 0.0000D+00, & ! 6 \n & 2.6100D-01, 7.0000D-02, 1.4900D-01, 4.0000D-02, 0.0000D+00, & ! + \n & 1.2800D-01, 5.0000D-03, 1.3000D-02, 0.0000D+00, 1.7900D-01, & ! 7 \n & 1.5600D-01, 1.4000D-01, 0.0000D+00, 1.1000D-01, 1.2800D-01, & ! + \n & 1.2800D-01, 2.0100D-01, 5.9000D-02, 4.6000D-01, 0.0000D+00, & ! 8 \n & 2.0100D-01, 5.9000D-02, 4.6000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D-01, & ! 1 \n & 1.0000D+00, 8.4000D-01, 2.0200D-01, 1.1600D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0400D-01, 1.1700D-01, & ! 2 \n & 1.2400D-01, 2.6000D-02, 3.3000D-02, 6.2500D-01, 5.1000D-02, & ! + \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 2.9000D-02, 6.9000D-02, 8.5000D-02, 5.0000D-02, & ! + \n & 0.0000D+00, 8.9400D-01, 8.6400D-01, 8.6400D-01, 8.6400D-01, & ! 7 \n & 8.3800D-01, 5.0300D-01, 1.0000D+00, 3.0000D-02, 7.0000D-02, & ! + \n & 1.7370D+00, 3.5200D-01, 1.2700D-01, 1.4920D+00, 8.4000D-01, & ! 8 \n & 4.6900D-01, 4.6900D-01, 5.0000D-02, 1.6000D-02, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 2.6000D-03, 3.5000D-03, 5.0000D-04, 1.0430D-01, & ! 4 \n & 2.0280D-01, 1.2390D-01, 1.0270D-01, 7.0200D-02, 2.5770D-01, & ! + \n & 3.8500D-02, 0.0000D+00/ ! 5 \n\n DATA ( SC( IRXXN, 6 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 4.4000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.0000D-01, & ! 7 \n & 1.0000D+00, 4.4000D-01, 1.0000D+00, 1.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 4.0000D-01, 0.0000D+00, 4.4000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 4.0000D-01, 0.0000D+00, 4.4000D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 3.5000D-02, 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 7.4000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.9100D-01, & ! + \n & 4.5700D-01, 0.0000D+00, 0.0000D+00, 2.3900D-01, 0.0000D+00, & ! 2 \n & 9.0000D-02, 8.5000D-02, 7.4000D-02, 5.0000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 2.0100D-01, 4.3200D-01, 1.9500D-01, 2.0100D-01, 4.3200D-01, & ! + \n & 0.0000D+00, 1.1700D-01, 7.0000D-03, 4.1600D-01, 1.0000D-01, & ! 5 \n & 5.0000D-01, 0.0000D+00, 6.7000D-01, 3.0000D-01, 1.2400D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 3.3600D-01, 1.4000D-01, 5.1000D-02, & ! 6 \n & 4.6700D-01, 7.1000D-02, 8.7000D-02, 1.7500D-01, 1.0200D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.6700D-01, 1.8500D-01, & ! 7 \n & 9.6700D-01, 0.0000D+00, 1.0200D-01, 2.0000D-02, 0.0000D+00, & ! + \n & 1.1000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.5000D-01, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 3.7000D-01, 0.0000D+00, 2.7800D-01, & ! + \n & 9.8400D-01, 5.0000D-01, 0.0000D+00, 0.0000D+00, 4.8000D-01, & ! 3 \n & 1.8500D-01, 1.1500D-01, 1.5000D-02, 2.3000D-01, 8.0000D-03, & ! + \n & 9.3600D-01, 2.4000D-01, 0.0000D+00, 4.0000D-02, 9.0000D-02, & ! 4 \n & 0.0000D+00, 8.2500D-01, 8.2500D-01, 9.1300D-01, 4.1300D-01, & ! + \n & 8.2500D-01, 2.0000D-03, 1.5110D+00, 2.9300D-01, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 2.4000D-02, 5.4000D-02, 8.2000D-02, & ! + \n & 8.7000D-02, 7.6000D-02, 1.2100D-01, 1.0000D-02, 0.0000D+00, & ! 6 \n & 7.0400D-01, 2.6000D-02, 1.4900D-01, 1.0600D-01, 0.0000D+00, & ! + \n & 5.8200D-01, 5.0000D-03, 3.0000D-03, 0.0000D+00, 8.3500D-01, & ! 7 \n & 8.0000D-03, 1.4000D-01, 0.0000D+00, 1.1000D-01, 1.2800D-01, & ! + \n & 1.2800D-01, 1.0000D-03, 4.9000D-01, 4.6000D-01, 0.0000D+00, & ! 8 \n & 1.0000D-03, 4.9000D-01, 4.6000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D-01, & ! 1 \n & 0.0000D+00, 8.5000D-02, 2.0200D-01, 1.9800D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.8200D-01, 1.4500D-01, & ! 2 \n & 1.2400D-01, 2.6000D-02, 8.0200D-01, 9.4700D-01, 5.1000D-02, & ! + \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 1.2400D-01, 8.6300D-01, 8.5000D-02, 1.6000D-02, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 6.8800D-01, 0.0000D+00, 4.8200D-01, 7.0000D-02, & ! + \n & 1.6500D-01, 2.2000D-02, 3.6000D-02, 1.0600D-01, 0.0000D+00, & ! 8 \n & 3.5900D-01, 3.5900D-01, 1.6000D-02, 2.2580D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 2.3000D-03, 2.2390D-01, 2.0510D-01, 1.8930D-01, & ! 4 \n & 4.7100D-02, 1.8310D-01, 2.0450D-01, 1.1160D-01, 7.3900D-02, & ! + \n & 2.6670D-01, 0.0000D+00/ ! 5 \n\n DATA ( SC( IRXXN, 7 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.0000D-01, & ! 7 \n & 0.0000D+00, 4.4000D-01, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 4.4000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.4000D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 2.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 8.8000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 1.2000D-02, 0.0000D+00, & ! 2 \n & 4.1000D-02, 1.4200D-01, 1.4700D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 3.3400D-01, 5.6800D-01, 3.0500D-01, 3.3400D-01, 5.6800D-01, & ! + \n & 0.0000D+00, 1.1400D-01, 5.8000D-01, 8.4000D-02, 9.0000D-01, & ! 5 \n & 0.0000D+00, 0.0000D+00, 3.4000D-01, 6.7500D-01, 5.0000D-02, & ! + \n & 0.0000D+00, 0.0000D+00, 5.5000D-02, 1.2400D-01, 5.7200D-01, & ! 6 \n & 2.3300D-01, 7.1000D-02, 3.0300D-01, 1.7500D-01, 7.4000D-02, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 8.3000D-02, 5.0000D-01, & ! 7 \n & 3.1000D-02, 0.0000D+00, 3.4000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 8.4000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.7800D-01, & ! + \n & 1.0000D+00, 5.0000D-01, 0.0000D+00, 0.0000D+00, 4.7100D-01, & ! 3 \n & 5.0000D-01, 4.6000D-01, 1.1500D-01, 3.2000D-01, 2.7500D-01, & ! + \n & 1.0000D+00, 7.5000D-01, 0.0000D+00, 3.1000D-01, 1.1000D-01, & ! 4 \n & 0.0000D+00, 2.0000D-01, 2.0000D-01, 1.0000D-01, 1.0000D-01, & ! + \n & 1.2000D+00, 2.2000D-02, 3.3700D-01, 5.0000D-03, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 2.9000D-01, 2.3800D-01, 1.0000D-01, & ! + \n & 8.4000D-02, 2.8600D-01, 7.4000D-02, 5.0000D-02, 0.0000D+00, & ! 6 \n & 1.0000D+00, 4.4500D-01, 2.0000D-03, 2.0900D-01, 0.0000D+00, & ! + \n & 1.0000D-02, 3.0300D-01, 3.4000D-02, 0.0000D+00, 5.1000D-01, & ! 7 \n & 2.1200D-01, 7.2000D-02, 0.0000D+00, 1.5800D-01, 8.8000D-02, & ! + \n & 8.8000D-02, 4.1100D-01, 1.2100D-01, 1.2000D-02, 0.0000D+00, & ! 8 \n & 4.1100D-01, 1.2100D-01, 1.2000D-02, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D-01, & ! 1 \n & 0.0000D+00, 3.6000D-02, 9.0000D-03, 1.1600D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0600D-01, 5.0200D-01, & ! 2 \n & 7.4000D-02, 2.1600D-01, 5.4100D-01, 1.0000D+00, 4.2000D-02, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 3.0600D-01, 4.5700D-01, 2.7500D-01, 2.2580D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 6.1000D-02, 0.0000D+00, 4.8800D-01, 7.8000D-02, & ! + \n & 1.6500D-01, 8.0000D-02, 2.0600D-01, 1.0600D-01, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 2.2580D+00, 5.8200D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 2.9440D-01, 1.8200D-01, 1.7640D-01, 1.6680D-01, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00/ ! 5 \n\n DATA ( SC( IRXXN, 8 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.0000D-01, & ! 7 \n & 0.0000D+00, 4.4000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 5.0400D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.2000D-02, 0.0000D+00, & ! 2 \n & 2.0000D-02, 7.8200D-01, 1.3900D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 4.0700D-01, 6.5200D-01, 0.0000D+00, 4.0700D-01, 6.5200D-01, & ! + \n & 0.0000D+00, 2.7400D-01, 1.9000D-01, 5.0000D-01, 3.3300D-01, & ! 5 \n & 0.0000D+00, 0.0000D+00, 3.3000D-01, 3.0000D-01, 9.5000D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 1.2900D-01, 2.1000D-01, 2.2700D-01, & ! 6 \n & 0.0000D+00, 2.0000D-03, 1.6300D-01, 1.1000D-02, 6.1000D-02, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.5000D-01, 0.0000D+00, & ! 7 \n & 3.1000D-02, 0.0000D+00, 5.0000D-02, 0.0000D+00, 0.0000D+00, & ! + \n & 8.4000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D-01, & ! + \n & 0.0000D+00, 1.8500D-01, 0.0000D+00, 0.0000D+00, 1.0000D+00, & ! 3 \n & 3.7500D-01, 1.2000D-01, 1.1500D-01, 3.5700D-01, 1.2200D-01, & ! + \n & 1.0000D+00, 2.5000D-01, 0.0000D+00, 2.0000D-02, 5.0000D-02, & ! 4 \n & 0.0000D+00, 3.7500D-01, 3.7500D-01, 9.3800D-01, 1.8800D-01, & ! + \n & 3.7500D-01, 7.7600D-01, 3.3700D-01, 7.0000D-03, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 5.7000D-01, 1.5100D-01, 3.8000D-01, & ! + \n & 2.3800D-01, 1.1200D-01, 4.0500D-01, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 1.2200D-01, 2.9000D-02, 7.1000D-02, 0.0000D+00, & ! + \n & 7.0000D-03, 8.8000D-02, 7.7400D-01, 0.0000D+00, 1.4400D-01, & ! 7 \n & 3.0000D-03, 5.7900D-01, 0.0000D+00, 1.0000D-01, 3.1200D-01, & ! + \n & 3.1200D-01, 3.8500D-01, 1.2100D-01, 2.3000D-02, 0.0000D+00, & ! 8 \n & 3.8500D-01, 1.2100D-01, 2.3000D-02, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 6.5000D-02, 1.8000D-02, 5.4100D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0400D-01, 2.3700D-01, & ! 2 \n & 1.4700D-01, 4.8400D-01, 8.2000D-02, 0.0000D+00, 4.2000D-02, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 5.4000D-01, 4.7300D-01, 1.7700D-01, 5.8200D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 3.1200D-01, 0.0000D+00, 1.0000D+00, 3.4000D-01, & ! + \n & 3.0000D-03, 2.5800D-01, 7.2000D-02, 1.9000D-01, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 5.8200D-01, 5.8200D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 2.0210D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00/ ! 5 \n\n DATA ( SC( IRXXN, 9 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 4.4000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 3.7600D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.2000D-02, 0.0000D+00, & ! 2 \n & 7.5000D-02, 2.6000D-02, 5.6500D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 1.2900D-01, 6.5200D-01, 0.0000D+00, 1.2900D-01, 6.5200D-01, & ! + \n & 0.0000D+00, 1.5300D-01, 3.6600D-01, 0.0000D+00, 1.0000D-01, & ! 5 \n & 0.0000D+00, 0.0000D+00, 3.3000D-01, 1.0000D+00, 3.5100D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 1.3000D-02, 2.3000D-02, 2.1800D-01, & ! 6 \n & 0.0000D+00, 2.1100D-01, 7.8000D-01, 4.2900D-01, 2.1400D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 3.3000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.2000D-02, & ! + \n & 0.0000D+00, 7.5000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 1.2500D-01, 3.5500D-01, 1.0000D-03, 1.0000D+00, 4.0000D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.8700D-01, 0.0000D+00, & ! 4 \n & 0.0000D+00, 7.4000D-02, 7.4000D-02, 3.7000D-02, 3.7000D-02, & ! + \n & 7.4000D-02, 3.4000D-02, 2.9000D-02, 6.8400D-01, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 2.9000D-02, 1.8100D-01, 1.5900D-01, & ! + \n & 1.8500D-01, 1.5900D-01, 1.1200D-01, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 2.4000D-02, 4.3800D-01, 8.6000D-02, 0.0000D+00, & ! + \n & 6.6600D-01, 5.0000D-01, 1.6900D-01, 0.0000D+00, 8.0000D-02, & ! 7 \n & 3.0000D-03, 1.6300D-01, 0.0000D+00, 1.2300D-01, 1.3400D-01, & ! + \n & 1.3400D-01, 3.7000D-02, 2.4900D-01, 2.0000D-03, 0.0000D+00, & ! 8 \n & 3.7000D-02, 2.4900D-01, 2.0000D-03, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 7.0000D-02, 1.2000D-02, 7.0000D-03, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.9700D-01, 1.8600D-01, & ! 2 \n & 1.3900D-01, 2.7400D-01, 1.8000D-01, 0.0000D+00, 7.1200D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 1.0000D+00, 1.0000D+00, 6.7100D-01, 5.8200D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.4300D-01, & ! + \n & 3.4000D-02, 4.4000D-02, 2.1500D-01, 3.8300D-01, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 5.8200D-01, 5.4800D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.9000D-03, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00/ ! 5 \n\n DATA ( SC( IRXXN, 10 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.0500D-01, 0.0000D+00, & ! 2 \n & 8.4000D-02, 5.8000D-02, 2.4000D-02, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 1.0700D-01, 6.5200D-01, 0.0000D+00, 1.0700D-01, 6.5200D-01, & ! + \n & 0.0000D+00, 1.9000D-02, 1.8400D-01, 0.0000D+00, 1.0000D-01, & ! 5 \n & 0.0000D+00, 0.0000D+00, 3.3000D-01, 0.0000D+00, 5.0000D-02, & ! + \n & 0.0000D+00, 0.0000D+00, 1.5000D-01, 7.4200D-01, 8.0000D-03, & ! 6 \n & 0.0000D+00, 1.0000D-03, 1.0000D+00, 1.0000D-03, 2.3000D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.9000D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 1.0000D+00, 1.0000D-03, 1.0000D+00, 1.9200D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 6.1000D-01, 0.0000D+00, & ! 4 \n & 0.0000D+00, 2.5100D-01, 2.5100D-01, 1.2600D-01, 1.2600D-01, & ! + \n & 2.5100D-01, 2.0000D-02, 5.1000D-02, 6.9000D-02, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 2.6100D-01, 6.5000D-02, 4.1000D-02, & ! + \n & 1.6100D-01, 8.8000D-02, 2.2000D-02, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 3.3200D-01, 2.3600D-01, 4.0700D-01, 0.0000D+00, & ! + \n & 7.0000D-03, 1.1000D-02, 8.3100D-01, 0.0000D+00, 2.0000D-03, & ! 7 \n & 2.9900D-01, 1.1600D-01, 0.0000D+00, 7.2000D-02, 7.7000D-02, & ! + \n & 7.7000D-02, 7.0000D-03, 6.3000D-02, 4.0300D-01, 0.0000D+00, & ! 8 \n & 7.0000D-03, 6.3000D-02, 4.0300D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 8.4000D-01, 5.5000D-02, 2.2000D-02, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.8500D-01, 6.7600D-01, & ! 2 \n & 5.6500D-01, 2.7400D-01, 5.4100D-01, 0.0000D+00, 4.9800D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 6.7000D-02, 3.5000D-02, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 7.5000D-02, & ! + \n & 2.8700D-01, 4.1000D-02, 1.9000D-02, 3.1700D-01, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 3.5000D-02, 3.5000D-02, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 2.3000D-03, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00/ ! 5 \n\n DATA ( SC( IRXXN, 11 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.4000D-02, 0.0000D+00, & ! 2 \n & 1.6000D-01, 6.9800D-01, 4.4800D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 2.6700D-01, 0.0000D+00, 0.0000D+00, 2.6700D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 1.9500D-01, 3.5000D-01, 0.0000D+00, 1.0000D-01, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 5.0000D-02, & ! + \n & 0.0000D+00, 0.0000D+00, 3.3200D-01, 1.0000D-01, 5.7200D-01, & ! 6 \n & 0.0000D+00, 8.3000D-02, 0.0000D+00, 3.6000D-02, 7.4000D-02, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 7.5000D-01, 0.0000D+00, 2.0400D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 6.1000D-01, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 5.0000D-01, 5.0000D-01, & ! + \n & 1.0000D+00, 2.3000D-02, 1.7000D-02, 2.0000D-03, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 1.1600D-01, 1.9500D-01, 3.3600D-01, & ! + \n & 4.7000D-02, 4.5000D-02, 3.6000D-02, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 9.8300D-01, 4.2600D-01, 1.0000D+00, 0.0000D+00, & ! + \n & 3.6000D-02, 5.0000D-01, 0.0000D+00, 0.0000D+00, 1.2000D-02, & ! 7 \n & 1.6100D-01, 2.0000D-03, 0.0000D+00, 1.8500D-01, 2.6000D-02, & ! + \n & 2.6000D-02, 3.0000D-03, 1.2700D-01, 2.3900D-01, 0.0000D+00, & ! 8 \n & 3.0000D-03, 1.2700D-01, 2.3900D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 1.0000D+00, 1.5900D-01, 2.3700D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 5.8600D-01, 2.8000D-01, & ! 2 \n & 2.4000D-02, 4.8400D-01, 8.3500D-01, 0.0000D+00, 1.9500D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.5800D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.5300D-01, & ! + \n & 4.1200D-01, 3.7800D-01, 3.8000D-02, 8.6000D-02, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 1.5800D-01, 1.5800D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00/ ! 5 \n\n DATA ( SC( IRXXN, 12 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.5600D-01, 0.0000D+00, & ! 2 \n & 0.0000D+00, 8.5800D-01, 2.6000D-02, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 7.8300D-01, 0.0000D+00, 0.0000D+00, 7.8300D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 1.9500D-01, 3.5000D-01, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 5.0000D-02, & ! + \n & 0.0000D+00, 0.0000D+00, 1.5000D-01, 3.7200D-01, 8.5000D-01, & ! 6 \n & 0.0000D+00, 1.4300D-01, 0.0000D+00, 4.0000D-03, 6.3000D-02, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 2.5000D-01, 0.0000D+00, 3.9000D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.5000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 3.4400D-01, 5.6000D-02, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 3.1400D-01, 1.9500D-01, 1.4400D-01, & ! + \n & 2.5300D-01, 6.7000D-02, 8.8000D-02, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 1.7000D-02, 1.0600D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 1.0000D-03, 4.4000D-02, 0.0000D+00, 0.0000D+00, 2.3000D-02, & ! 7 \n & 1.3100D-01, 3.2000D-01, 0.0000D+00, 2.0200D-01, 2.2100D-01, & ! + \n & 2.2100D-01, 9.0000D-03, 3.3000D-02, 5.0000D-03, 0.0000D+00, & ! 8 \n & 9.0000D-03, 3.3000D-02, 5.0000D-03, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 5.4700D-01, 1.0900D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 8.5500D-01, & ! 2 \n & 4.4800D-01, 7.8400D-01, 0.0000D+00, 0.0000D+00, 1.7000D-02, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.8500D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 9.8300D-01, & ! + \n & 2.4700D-01, 1.0000D+00, 1.9200D-01, 4.2000D-02, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 1.8500D-01, 1.8500D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00/ ! 5 \n\n DATA ( SC( IRXXN, 13 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 3.0000D-02, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 2.3100D-01, 1.3900D-01, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.7400D-01, 4.7000D-02, 0.0000D+00, & ! 6 \n & 0.0000D+00, 4.0200D-01, 0.0000D+00, 1.0000D-02, 8.0000D-03, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.6000D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 2.4000D-01, 1.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 3.1200D-01, 2.3900D-01, & ! + \n & 2.5300D-01, 2.7800D-01, 3.5200D-01, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 1.4600D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 1.2000D-02, 3.0000D-03, 0.0000D+00, 0.0000D+00, 3.1900D-01, & ! 7 \n & 1.1400D-01, 3.1900D-01, 0.0000D+00, 3.0900D-01, 2.4700D-01, & ! + \n & 2.4700D-01, 3.0000D-03, 2.0800D-01, 1.0000D-03, 0.0000D+00, & ! 8 \n & 3.0000D-03, 2.0800D-01, 1.0000D-03, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 4.5000D-02, 5.9100D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 2.6000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 9.0000D-03, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.7400D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.7000D-02, & ! + \n & 7.6000D-02, 0.0000D+00, 3.3700D-01, 2.5000D-02, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 2.7400D-01, 2.7400D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00/ ! 5 \n\n DATA ( SC( IRXXN, 14 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 2.5200D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 7.9400D-01, 3.0000D-03, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 7.1100D-01, 1.0000D-03, 0.0000D+00, & ! 6 \n & 0.0000D+00, 1.1500D-01, 0.0000D+00, 1.7000D-01, 1.2400D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.5000D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 3.4500D-01, 1.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 7.3000D-02, 4.7000D-02, & ! + \n & 1.9800D-01, 2.8600D-01, 2.3000D-01, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 9.0000D-03, 9.0000D-03, 0.0000D+00, 0.0000D+00, 6.8100D-01, & ! 7 \n & 4.5300D-01, 6.8100D-01, 0.0000D+00, 3.6900D-01, 1.7800D-01, & ! + \n & 1.7800D-01, 2.0000D-03, 5.7000D-02, 4.0000D-03, 0.0000D+00, & ! 8 \n & 2.0000D-03, 5.7000D-02, 4.0000D-03, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 3.0000D-01, 5.1000D-02, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 3.0000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 9.0000D-03, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 7.0000D-03, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 1.3000D-01, 0.0000D+00, 1.6900D-01, 5.8000D-02, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 7.0000D-03, 7.0000D-03, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00/ ! 5 \n\n DATA ( SC( IRXXN, 15 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 7.3000D-02, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 4.0000D-03, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.8000D-02, 0.0000D+00, & ! 6 \n & 0.0000D+00, 3.2900D-01, 0.0000D+00, 8.0000D-03, 8.3000D-02, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 8.0000D-03, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.3500D-01, 5.5500D-01, & ! + \n & 5.5000D-02, 1.0200D-01, 1.5100D-01, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 1.6800D-01, 1.8500D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 7.1000D-02, 0.0000D+00, 0.0000D+00, 1.0000D+00, 6.8000D-02, & ! + \n & 6.8000D-02, 4.0900D-01, 2.0000D-03, 2.2800D-01, 0.0000D+00, & ! 8 \n & 4.0900D-01, 2.0000D-03, 2.2800D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 2.0000D-02, 4.0000D-02, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 2.5200D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.1500D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.0000D-03, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 8.3100D-01, 1.6100D-01, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 3.0000D-03, 3.0000D-03, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00/ ! 5 \n\n DATA ( SC( IRXXN, 16 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 7.3000D-02, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 3.0000D-03, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 7.0000D-03, 0.0000D+00, 3.1000D-02, 1.9000D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.0000D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 2.0000D-03, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 5.8600D-01, 4.6100D-01, 4.3000D-02, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 1.6900D-01, 1.5900D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 3.3300D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 5.7000D-02, & ! + \n & 5.7000D-02, 1.0000D+00, 1.7200D-01, 1.0000D+00, 0.0000D+00, & ! 8 \n & 1.0000D+00, 1.7200D-01, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 3.0000D-03, 6.8600D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 7.3000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.4000D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.0000D-03, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.3000D-02, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 3.0000D-03, 3.0000D-03, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00/ ! 5 \n\n DATA ( SC( IRXXN, 17 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 7.1300D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 9.5000D-02, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 5.2800D-01, 0.0000D+00, 1.8900D-01, 2.6100D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 8.1000D-02, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 7.0500D-01, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 8.3100D-01, 2.6800D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 1.9000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0100D-01, & ! + \n & 1.0100D-01, 1.0000D+00, 6.8000D-02, 1.0000D+00, 0.0000D+00, & ! 8 \n & 1.0000D+00, 6.8000D-02, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 4.1000D-02, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 7.3000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.2000D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.5800D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.9100D-01, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 1.5800D-01, 1.5800D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00/ ! 5 \n\n DATA ( SC( IRXXN, 18 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.6300D-01, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.0500D-01, 6.6000D-02, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 2.5500D-01, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.1000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 5.1000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 3.0000D-03, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 3.0000D-03, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 4.6000D-02, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 7.1300D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 7.6200D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 6.0000D-03, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.1900D-01, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 6.0000D-03, 6.0000D-03, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00/ ! 5 \n\n DATA ( SC( IRXXN, 19 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.6300D-01, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.5700D-01, 5.9100D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 7.3700D-01, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 5.2000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 3.3000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 3.9000D-02, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 3.9000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 5.4700D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 6.0000D-03, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 6.8100D-01, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 6.0000D-03, 6.0000D-03, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00/ ! 5 \n\n DATA ( SC( IRXXN, 20 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 9.5000D-02, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 6.3600D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 1.0000D-03, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 2.0000D-03, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 2.0000D-03, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 9.0800D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D-03, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 1.0000D-03, 1.0000D-03, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00/ ! 5 \n\n DATA ( SC( IRXXN, 21 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 2.6400D-01, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 2.4000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.0000D-03, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 1.0000D-03, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0900D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 1.0900D-01, 1.0900D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00/ ! 5 \n\n DATA ( SC( IRXXN, 22 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 6.5000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 5.0200D-01, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 5.0200D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00/ ! 5 \n\n DATA ( SC( IRXXN, 23 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 2.3500D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 4.2800D-01, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 4.2800D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00/ ! 5 \n\n DATA ( SC( IRXXN, 24 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 3.7000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00/ ! 5 \n\n DATA ( SC( IRXXN, 25 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 7.3000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00/ ! 5 \n\n DATA ( SC( IRXXN, 26 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 1.3600D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00/ ! 5 \n\n INTEGER :: NREACT( NRXNS )\n\n DATA ( NREACT( IRXXN ), IRXXN = 1, NRXNS ) / & \n & 1, 1, 2, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 2, 1, 1, 1, 2, 1, 1, 1, 1, 1, & ! 1 \n & 1, 2, 1, 2, 2, 2, 2, 1, 2, 2, & ! 2 \n & 2, 2, 1, 1, 2, 2, 2, 2, 2, 2, & ! 3 \n & 1, 2, 2, 2, 1, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 2, 2, 2, 1, 1, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 1, 1, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 1, 1, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 1, 1, 2, 2, & ! 9 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 1, & ! O \n & 2, 2, 1, 2, 2, 2, 2, 2, 2, 2, & ! 1 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 2 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 9 \n & 2, 2, 2, 1, 1, 2, 2, 2, 1, 2, & ! O \n & 2, 1, 2, 2, 1, 2, 1, 2, 2, 2, & ! 1 \n & 2, 2, 1, 2, 1, 2, 1, 2, 1, 1, & ! 2 \n & 1, 2, 2, 1, 2, 2, 1, 2, 2, 2, & ! 3 \n & 1, 1, 2, 1, 2, 2, 2, 1, 2, 2, & ! 4 \n & 1, 2, 2, 2, 2, 2, 2, 1, 2, 2, & ! 5 \n & 2, 1, 2, 2, 2, 1, 2, 1, 2, 1, & ! 6 \n & 2, 1, 2, 2, 2, 2, 2, 1, 2, 1, & ! 7 \n & 2, 1, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 9 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 1 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 2 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 9 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 1 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 2 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 9 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 1 \n & 2, 2, 2, 2, 2, 1, 2, 2, 2, 2, & ! 2 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 1, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 1, & ! 8 \n & 2, 1, 2, 2, 1, 1, 2, 2, 2, 2, & ! 9 \n & 2, 2, 1, 1, 1, 2, 2, 1, 2, 2, & ! O \n & 1, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 1 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 2 \n & 1, 2, 2, 1, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 1, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 2, 1, 1, 2, & ! 9 \n & 2, 2, 2, 1, 2, 2, 2, 2, 2, 2, & ! O \n & 1, 2, 1, 1, 1, 1, 1, 2, 2, 2, & ! 1 \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! 2 \n & 1, 1, 1, 1, 1, 1, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 1/ ! 5 \n INTEGER :: NPRDCT( NRXNS )\n\n DATA ( NPRDCT( IRXXN ), IRXXN = 1, NRXNS ) / & \n & 2, 1, 0, 1, 1, 1, 1, 1, 1, 1, & ! O \n & 1, 2, 1, 1, 2, 1, 2, 1, 1, 1, & ! 1 \n & 1, 1, 2, 1, 1, 2, 1, 2, 2, 1, & ! 2 \n & 2, 1, 2, 4, 1, 1, 1, 1, 3, 1, & ! 3 \n & 1, 1, 0, 3, 1, 3, 1, 1, 3, 2, & ! 4 \n & 2, 1, 0, 1, 3, 0, 0, 0, 1, 3, & ! 5 \n & 0, 0, 1, 2, 5, 3, 6, 3, 5, 2, & ! 6 \n & 2, 2, 1, 2, 8, 6, 9, 6, 7, 5, & ! 7 \n & 5, 6, 5, 1, 2, 6, 4, 7, 4, 5, & ! 8 \n & 3, 3, 4, 6, 3, 1, 2, 6, 4, 7, & ! 9 \n & 4, 4, 3, 3, 4, 7, 5, 3, 1, 2, & ! O \n & 1, 1, 3, 2, 1, 2, 2, 2, 2, 2, & ! 1 \n & 2, 2, 2, 2, 1, 2, 2, 2, 2, 2, & ! 2 \n & 2, 2, 2, 2, 1, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 1, 2, 1, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 1, 2, 2, 2, 2, 1, & ! 5 \n & 2, 2, 2, 2, 1, 2, 2, 2, 2, 2, & ! 6 \n & 1, 2, 2, 2, 1, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 1, 2, 1, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 1, 2, 2, 2, 2, 2, & ! 9 \n & 2, 2, 2, 2, 1, 2, 3, 1, 3, 2, & ! O \n & 6, 6, 2, 4, 3, 10, 5, 2, 2, 6, & ! 1 \n & 7, 3, 3, 12, 3, 11, 12, 17, 6, 2, & ! 2 \n & 2, 3, 4, 3, 2, 3, 1, 5, 2, 1, & ! 3 \n & 1, 0, 1, 0, 2, 12, 10, 7, 12, 10, & ! 4 \n & 1, 14, 21, 8, 11, 6, 1, 10, 9, 12, & ! 5 \n & 2, 4, 14, 15, 12, 7, 17, 10, 20, 19, & ! 6 \n & 1, 3, 2, 8, 7, 9, 1, 8, 6, 3, & ! 7 \n & 8, 5, 4, 4, 6, 2, 1, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 1, 2, 2, 2, & ! 9 \n & 2, 2, 2, 2, 2, 2, 1, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 2, 2, 1, 2, 2, 2, & ! 1 \n & 2, 2, 2, 2, 2, 2, 1, 2, 2, 2, & ! 2 \n & 2, 2, 2, 2, 2, 2, 1, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 1, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 2, 2, 1, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 2, 2, 1, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 1, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 1, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 1, 2, 2, 2, & ! 9 \n & 2, 2, 2, 2, 2, 2, 1, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 2, 2, 1, 2, 2, 2, & ! 1 \n & 2, 2, 2, 2, 2, 2, 1, 2, 2, 2, & ! 2 \n & 2, 2, 2, 2, 2, 2, 1, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 1, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 2, 1, 2, 1, 2, 2, & ! 5 \n & 2, 1, 1, 1, 1, 1, 2, 1, 2, 2, & ! 6 \n & 2, 1, 1, 1, 1, 1, 2, 1, 2, 2, & ! 7 \n & 2, 1, 1, 1, 1, 1, 2, 1, 2, 2, & ! 8 \n & 2, 1, 1, 1, 1, 2, 1, 3, 3, 3, & ! 9 \n & 3, 3, 3, 3, 3, 2, 1, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 2, 2, 1, 2, 2, 2, & ! 1 \n & 2, 2, 2, 2, 2, 1, 5, 6, 4, 10, & ! 2 \n & 7, 9, 5, 2, 8, 9, 10, 12, 10, 16, & ! 3 \n & 8, 8, 2, 11, 8, 1, 10, 11, 12, 11, & ! 4 \n & 11, 13, 20, 14, 2, 5, 4, 13, 16, 16, & ! 5 \n & 17, 17, 18, 7, 4, 7, 12, 14, 11, 2, & ! 6 \n & 17, 19, 10, 3, 14, 26, 14, 3, 15, 18, & ! 7 \n & 18, 17, 24, 17, 3, 17, 24, 17, 3, 1, & ! 8 \n & 1, 2, 1, 1, 2, 2, 1, 2, 1, 2, & ! 9 \n & 2, 1, 2, 2, 2, 2, 1, 2, 2, 1, & ! O \n & 2, 3, 2, 3, 7, 5, 11, 20, 16, 4, & ! 1 \n & 3, 4, 2, 11, 12, 18, 12, 11, 7, 18, & ! 2 \n & 6, 1, 2, 5, 2, 1, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 1, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 2, 1, 2, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 2, 4, 9, 9, 11, 22, & ! 6 \n & 2, 5, 5, 5, 5, 5, 8, 5, 8, 13, & ! 7 \n & 15, 12, 15, 19, 5, 6, 6, 22, 22, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 2, 0, 0, 1, & ! 9 \n & 1, 1, 1, 0, 1, 1, 1, 1, 1, 1, & ! O \n & 0, 1, 2, 2, 2, 1, 1, 1, 1, 1, & ! 1 \n & 0, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! 2 \n & 1, 1, 1, 1, 1, 1, 3, 1, 3, 1, & ! 3 \n & 2, 10, 7, 7, 7, 6, 6, 6, 6, 6, & ! 4 \n & 6, 1/ ! 5 \n\n INTEGER, PARAMETER :: MHETERO = 11\n INTEGER :: IHETERO( MHETERO,2 )\n\n DATA ( IHETERO( IRXXN,1 ), IRXXN = 1, MHETERO ) / & \n & 713, 714, 715, 716, 717, 718, 719, 720, 738, 740, & \n & 752/\n\n DATA ( IHETERO( IRXXN,2 ), IRXXN = 1, MHETERO ) / & \n & 1, 2, 3, 4, 5, 6, 6, 7, 8, 9, & \n & 10/\n\n INTEGER, PARAMETER :: NPHOTAB = 38\n CHARACTER( 16 ) :: PHOTAB( NPHOTAB )\n\n DATA ( PHOTAB( IRXXN ), IRXXN = 1, NPHOTAB ) / & \n & 'NO2_06 ', 'NO3NO_06 ', 'NO3NO2_6 ', & \n & 'O3O1D_06 ', 'O3O3P_06 ', 'HONO_06 ', & \n & 'HNO3 ', 'HNO4_06 ', 'H2O2 ', & \n & 'PAN ', 'HCHOR_06 ', 'HCHOM_06 ', & \n & 'CCHO_R ', 'C2CHO ', 'ACET_06 ', & \n & 'MEK_06 ', 'COOH ', 'GLY_07R ', & \n & 'GLY_07M ', 'MGLY_06 ', 'BACL_07 ', & \n & 'BALD_06 ', 'AFG1 ', 'MACR_06 ', & \n & 'MVK_06 ', 'IC3ONO2 ', 'HOCCHO_IUPAC ', & \n & 'ACRO_09 ', 'PAA ', 'CL2 ', & \n & 'CLNO_06 ', 'CLONO ', 'CLNO2 ', & \n & 'CLONO2_1 ', 'CLONO2_2 ', 'HOCL_06 ', & \n & 'CLCCHO ', 'CLACET '/\n\n INTEGER, PARAMETER :: NHETERO = 10\n CHARACTER( 16 ) :: HETERO( NHETERO )\n\n DATA ( HETERO( IRXXN ), IRXXN = 1, NHETERO ) / & \n & 'HETERO_NO2 ', 'HETERO_N2O5IJ ', 'HETERO_N2O5K ', &\n & 'HETERO_H2NO3PAIJ', 'HETERO_H2NO3PAK ', 'HETERO_H2NO3PBIJ', &\n & 'HETERO_H2NO3PBK ', 'HETERO_PNCOMLI ', 'HETERO_PNCOMLJ ', &\n & 'HETERO_IEPOX '/\n\n CHARACTER( 16 ) :: RXLABEL( NRXNS )\n\n DATA ( RXLABEL( IRXXN ), IRXXN = 1, NRXNS ) / & \n & '1 ', '2 ', '3 ', & ! 0 \n & '4 ', '5 ', '6 ', & ! 1 \n & '7 ', '8 ', '9 ', & ! 2 \n & '10 ', '11 ', '12 ', & ! 3 \n & '13 ', '14 ', '15 ', & ! 4 \n & '16 ', '17 ', '18 ', & ! 5 \n & '19 ', '20 ', '21 ', & ! 6 \n & '22 ', '23 ', '24 ', & ! 7 \n & '25 ', '26 ', '27 ', & ! 8 \n & '28 ', '29 ', '30 ', & ! 9 \n & '31 ', '32 ', '33 ', & ! 0 \n & '34 ', '35 ', '36 ', & ! 1 \n & '37 ', '38 ', '39 ', & ! 2 \n & '40 ', '41 ', '42 ', & ! 3 \n & '43 ', '44 ', '45 ', & ! 4 \n & 'BR01 ', 'BR02 ', 'BR03 ', & ! 5 \n & 'BR04 ', 'BR05 ', 'BR06 ', & ! 6 \n & 'BR07 ', 'BR08 ', 'BR09 ', & ! 7 \n & 'BR10 ', 'BR11 ', 'BR12 ', & ! 8 \n & 'BR13 ', 'BR14 ', 'BR15 ', & ! 9 \n & 'BR16 ', 'BR17 ', 'BR18 ', & ! 0 \n & 'BR19 ', 'BR20 ', 'BR21 ', & ! 1 \n & 'BR22 ', 'BR23 ', 'BR24 ', & ! 2 \n & 'BR25 ', 'BR26 ', 'BR27 ', & ! 3 \n & 'BR28 ', 'BR29 ', 'BR30 ', & ! 4 \n & 'BR31 ', 'BR32 ', 'BR33 ', & ! 5 \n & 'BR34 ', 'BR35 ', 'BR36 ', & ! 6 \n & 'BR37 ', 'BR38 ', 'BR39 ', & ! 7 \n & 'BR40 ', 'BR41 ', 'BR42 ', & ! 8 \n & 'BR43 ', 'BR44 ', 'BR45 ', & ! 9 \n & 'BR46 ', 'BR47 ', 'BR48 ', & ! 0 \n & 'BR49 ', 'BR50 ', 'BR51 ', & ! 1 \n & 'BR52 ', 'BR53 ', 'BR54 ', & ! 2 \n & 'BR55 ', 'BR56 ', 'BR57 ', & ! 3 \n & 'BR58 ', 'BR59 ', 'BR60 ', & ! 4 \n & 'BR61 ', 'BR62 ', 'BR63 ', & ! 5 \n & 'BR64 ', 'BR65 ', 'BR66 ', & ! 6 \n & 'BR67 ', 'BR68 ', 'R019 ', & ! 7 \n & 'R020 ', 'R021 ', 'R022 ', & ! 8 \n & 'R023 ', 'R024 ', 'R025 ', & ! 9 \n & 'R026 ', 'R027 ', 'R028 ', & ! 0 \n & 'R029 ', 'R030 ', 'R031 ', & ! 1 \n & 'R032 ', 'R033 ', 'R034 ', & ! 2 \n & 'R035 ', 'R036 ', 'R037 ', & ! 3 \n & 'R038 ', 'R039 ', 'R040 ', & ! 4 \n & 'R041 ', 'R042 ', 'R043 ', & ! 5 \n & 'R044 ', 'R045 ', 'R046 ', & ! 6 \n & 'R047 ', 'R048 ', 'R049 ', & ! 7 \n & 'R050 ', 'R051 ', 'R052 ', & ! 8 \n & 'R053 ', 'R054 ', 'R055 ', & ! 9 \n & 'R056 ', 'R057 ', 'R058 ', & ! 0 \n & 'R059 ', 'R060 ', 'R061 ', & ! 1 \n & 'R062 ', 'R063 ', 'R064 ', & ! 2 \n & 'R065 ', 'R066 ', 'R067 ', & ! 3 \n & 'R068 ', 'R069 ', 'R070 ', & ! 4 \n & 'R071 ', 'R072 ', 'R073 ', & ! 5 \n & 'R074 ', 'R075 ', 'R076 ', & ! 6 \n & 'R077 ', 'R078 ', 'R079 ', & ! 7 \n & 'R080 ', 'R081 ', 'R082 ', & ! 8 \n & 'R083 ', 'R084 ', 'R085 ', & ! 9 \n & 'R086 ', 'R087 ', 'R088 ', & ! 0 \n & 'R089 ', 'R090 ', 'R091 ', & ! 1 \n & 'R092 ', 'R093 ', 'R094 ', & ! 2 \n & 'R095 ', 'R096 ', 'R097 ', & ! 3 \n & 'R098 ', 'R099 ', 'R100 ', & ! 4 \n & 'R101 ', 'R102 ', 'R103 ', & ! 5 \n & 'R104 ', 'R105 ', 'R106 ', & ! 6 \n & 'R107 ', 'R108 ', 'BP01 ', & ! 7 \n & 'BP02 ', 'BP03 ', 'BP07 ', & ! 8 \n & 'BP08 ', 'BP09 ', 'BP10 ', & ! 9 \n & 'BP11 ', 'BP12 ', 'BP13 ', & ! 0 \n & 'BP14 ', 'BP15 ', 'BP16 ', & ! 1 \n & 'BP17 ', 'BP18 ', 'BP19 ', & ! 2 \n & 'BP20 ', 'BP21 ', 'BP22 ', & ! 3 \n & 'BP23 ', 'BP24 ', 'BP25 ', & ! 4 \n & 'BP26 ', 'BP27 ', 'BP28 ', & ! 5 \n & 'BP29 ', 'BP30 ', 'BP31 ', & ! 6 \n & 'BP32 ', 'BP33 ', 'BP34 ', & ! 7 \n & 'BP35 ', 'BP36 ', 'BP37 ', & ! 8 \n & 'BP38 ', 'BP39 ', 'BP40 ', & ! 9 \n & 'BP41 ', 'BP42 ', 'BP43 ', & ! 0 \n & 'BP44 ', 'BP45 ', 'BP46 ', & ! 1 \n & 'BP47 ', 'BP48 ', 'BP49 ', & ! 2 \n & 'BP50 ', 'BP51 ', 'BP52 ', & ! 3 \n & 'BP53 ', 'BP54 ', 'BP55 ', & ! 4 \n & 'BP56 ', 'BP57 ', 'BP58 ', & ! 5 \n & 'BP59 ', 'BP60 ', 'BP62 ', & ! 6 \n & 'BP63 ', 'BP64 ', 'BP65 ', & ! 7 \n & 'BP66 ', 'BP67 ', 'BP68 ', & ! 8 \n & 'BP69 ', 'BP70 ', 'BP71 ', & ! 9 \n & 'BP72 ', 'BP73 ', 'BP74 ', & ! 0 \n & 'BP75 ', 'BP76 ', 'BP77 ', & ! 1 \n & 'BP78 ', 'BP79 ', 'BP80 ', & ! 2 \n & 'BP81 ', 'BP82 ', 'BP83 ', & ! 3 \n & 'BP84 ', 'BP85 ', 'BP86 ', & ! 4 \n & 'P001 ', 'P002 ', 'P003 ', & ! 5 \n & 'P004 ', 'P005 ', 'P006 ', & ! 6 \n & 'P007 ', 'P008 ', 'P009 ', & ! 7 \n & 'P010 ', 'P011 ', 'P012 ', & ! 8 \n & 'P013 ', 'P014 ', 'P015 ', & ! 9 \n & 'P016 ', 'P017 ', 'P018 ', & ! 0 \n & 'P019 ', 'P020 ', 'P021 ', & ! 1 \n & 'P022 ', 'P023 ', 'P024 ', & ! 2 \n & 'P025 ', 'P026 ', 'P027 ', & ! 3 \n & 'P028 ', 'P029 ', 'P030 ', & ! 4 \n & 'P031 ', 'P032 ', 'P033 ', & ! 5 \n & 'P034 ', 'P035 ', 'P036 ', & ! 6 \n & 'P037 ', 'P038 ', 'P039 ', & ! 7 \n & 'P040 ', 'P041 ', 'P042 ', & ! 8 \n & 'P043 ', 'P044 ', 'P045 ', & ! 9 \n & 'P046 ', 'P047 ', 'P048 ', & ! 0 \n & 'P049 ', 'P050 ', 'P051 ', & ! 1 \n & 'P052 ', 'P053 ', 'P054 ', & ! 2 \n & 'P055 ', 'P056 ', 'P057 ', & ! 3 \n & 'P058 ', 'P059 ', 'P060 ', & ! 4 \n & 'P061 ', 'P062 ', 'P063 ', & ! 5 \n & 'P064 ', 'P065 ', 'P066 ', & ! 6 \n & 'P067 ', 'P068 ', 'P069 ', & ! 7 \n & 'P070 ', 'P071 ', 'P072 ', & ! 8 \n & 'P073 ', 'P074 ', 'P075 ', & ! 9 \n & 'P076 ', 'P077 ', 'P078 ', & ! 0 \n & 'P079 ', 'P080 ', 'P081 ', & ! 1 \n & 'P082 ', 'P083 ', 'P084 ', & ! 2 \n & 'P085 ', 'P086 ', 'P087 ', & ! 3 \n & 'P088 ', 'P089 ', 'P090 ', & ! 4 \n & 'P091 ', 'P092 ', 'P093 ', & ! 5 \n & 'P094 ', 'P095 ', 'P096 ', & ! 6 \n & 'P097 ', 'P098 ', 'P099 ', & ! 7 \n & 'P100 ', 'P101 ', 'P102 ', & ! 8 \n & 'P103 ', 'P104 ', 'P105 ', & ! 9 \n & 'P106 ', 'P107 ', 'P108 ', & ! 0 \n & 'P109 ', 'P110 ', 'P111 ', & ! 1 \n & 'P112 ', 'P113 ', 'P114 ', & ! 2 \n & 'P115 ', 'P116 ', 'P117 ', & ! 3 \n & 'P118 ', 'P119 ', 'P120 ', & ! 4 \n & 'P121 ', 'P122 ', 'P123 ', & ! 5 \n & 'P124 ', 'P125 ', 'P126 ', & ! 6 \n & 'P127 ', 'P128 ', 'P129 ', & ! 7 \n & 'P130 ', 'P131 ', 'P132 ', & ! 8 \n & 'P133 ', 'P134 ', 'P135 ', & ! 9 \n & 'P136 ', 'P137 ', 'P138 ', & ! 0 \n & 'P139 ', 'P140 ', 'P141 ', & ! 1 \n & 'P142 ', 'P143 ', 'P144 ', & ! 2 \n & 'P145 ', 'P146 ', 'P147 ', & ! 3 \n & 'P148 ', 'P149 ', 'P150 ', & ! 4 \n & 'P151 ', 'P152 ', 'P153 ', & ! 5 \n & 'P154 ', 'P155 ', 'P156 ', & ! 6 \n & 'P157 ', 'P158 ', 'P159 ', & ! 7 \n & 'P160 ', 'P161 ', 'P162 ', & ! 8 \n & 'P163 ', 'P164 ', 'P165 ', & ! 9 \n & 'P166 ', 'P167 ', 'P168 ', & ! 0 \n & 'P169 ', 'P170 ', 'P171 ', & ! 1 \n & 'P172 ', 'P173 ', 'P174 ', & ! 2 \n & 'P175 ', 'P176 ', 'P177 ', & ! 3 \n & 'P178 ', 'P179 ', 'P180 ', & ! 4 \n & 'P181 ', 'P182 ', 'P183 ', & ! 5 \n & 'P184 ', 'P185 ', 'P186 ', & ! 6 \n & 'P187 ', 'P188 ', 'P189 ', & ! 7 \n & 'P190 ', 'P181a ', 'P182a ', & ! 8 \n & 'P183a ', 'P184a ', 'P185a ', & ! 9 \n & 'P186a ', 'P187a ', 'P188a ', & ! 0 \n & 'P189a ', 'P190a ', 'P191 ', & ! 1 \n & 'P192 ', 'P193 ', 'P194 ', & ! 2 \n & 'P195 ', 'P196 ', 'P197 ', & ! 3 \n & 'P198 ', 'P199 ', 'P200 ', & ! 4 \n & 'P201 ', 'P202 ', 'P203 ', & ! 5 \n & 'P204 ', 'P205 ', 'P206 ', & ! 6 \n & 'P207 ', 'P208 ', 'P209 ', & ! 7 \n & 'P210 ', 'P211 ', 'P212 ', & ! 8 \n & 'P213 ', 'P214 ', 'P215 ', & ! 9 \n & 'P216 ', 'P217 ', 'P218 ', & ! 0 \n & 'P219 ', 'P220 ', 'P221 ', & ! 1 \n & 'P222 ', 'P223 ', 'P224 ', & ! 2 \n & 'P225 ', 'P226 ', 'P227 ', & ! 3 \n & 'P228 ', 'P229 ', 'P230 ', & ! 4 \n & 'BE01 ', 'BE02 ', 'BE03 ', & ! 5 \n & 'BE04 ', 'BE05 ', 'BT01 ', & ! 6 \n & 'BT02 ', 'BT03 ', 'BT04 ', & ! 7 \n & 'BT05 ', 'BT06 ', 'BT07 ', & ! 8 \n & 'BT08 ', 'BE06 ', 'BE07 ', & ! 9 \n & 'BE08 ', 'BE09 ', 'IS88 ', & ! 0 \n & 'IS89 ', 'IS92 ', 'IS90 ', & ! 1 \n & 'IS91 ', 'IS96 ', 'IS112 ', & ! 2 \n & 'IS113 ', 'IS114 ', 'BT09 ', & ! 3 \n & 'BT10 ', 'BT11 ', 'BT12 ', & ! 4 \n & 'BE10 ', 'BE11 ', 'BE12 ', & ! 5 \n & 'BT13 ', 'BT14 ', 'BT15 ', & ! 6 \n & 'BT16 ', 'BT17 ', 'BT18 ', & ! 7 \n & 'BL01 ', 'BL02 ', 'BL03 ', & ! 8 \n & 'BL04 ', 'BL05 ', 'AALK ', & ! 9 \n & 'BL06 ', 'BL07 ', 'BL08 ', & ! 0 \n & 'BL09 ', 'BL10 ', 'BL11 ', & ! 1 \n & 'BL12 ', 'BL13 ', 'BL14 ', & ! 2 \n & 'BL15 ', 'BL15b ', 'BL16 ', & ! 3 \n & 'BL17 ', 'BL18 ', 'BL19 ', & ! 4 \n & 'BT19 ', 'BT20 ', 'BT21 ', & ! 5 \n & 'BT22 ', 'CI01 ', 'CI02 ', & ! 6 \n & 'CI03 ', 'CI04 ', 'CI05 ', & ! 7 \n & 'CI06 ', 'CI07 ', 'CI08 ', & ! 8 \n & 'CI09 ', 'CI10 ', 'CI11 ', & ! 9 \n & 'CI12 ', 'CI13 ', 'CI14 ', & ! 0 \n & 'CI15 ', 'CI16 ', 'CI17 ', & ! 1 \n & 'CI18 ', 'CI19 ', 'CI20 ', & ! 2 \n & 'CI21 ', 'CI22 ', 'CP01 ', & ! 3 \n & 'CP02 ', 'CP03 ', 'CP04 ', & ! 4 \n & 'CP05 ', 'CP06 ', 'CP07 ', & ! 5 \n & 'CP08 ', 'CP09 ', 'CP10 ', & ! 6 \n & 'CP11 ', 'CP12 ', 'CP13 ', & ! 7 \n & 'CP14 ', 'CP15 ', 'TP01 ', & ! 8 \n & 'CP16 ', 'CP17 ', 'CP18 ', & ! 9 \n & 'CP19 ', 'CP20 ', 'CP21 ', & ! 0 \n & 'CP22 ', 'CP29 ', 'CP30 ', & ! 1 \n & 'CP31 ', 'CP32 ', 'CP33 ', & ! 2 \n & 'CP34 ', 'CP35 ', 'CP36 ', & ! 3 \n & 'CP37 ', 'CP38 ', 'CP39 ', & ! 4 \n & 'CP40 ', 'CP41 ', 'CP42 ', & ! 5 \n & 'CP43 ', 'CP44 ', 'CP45 ', & ! 6 \n & 'CP46 ', 'CP47 ', 'CP48 ', & ! 7 \n & 'CP49 ', 'CP50 ', 'CP51 ', & ! 8 \n & 'CP52 ', 'CP53 ', 'CP54 ', & ! 9 \n & 'CP55 ', 'CP56 ', 'CP57 ', & ! 0 \n & 'CP58 ', 'CE01 ', 'CE02 ', & ! 1 \n & 'TE01 ', 'TE02 ', 'CE03 ', & ! 2 \n & 'TE03 ', 'CE04 ', 'TE04 ', & ! 3 \n & 'TE05 ', 'TE06 ', 'TE07 ', & ! 4 \n & 'TE08 ', 'TE09 ', 'BC01 ', & ! 5 \n & 'BC02 ', 'BC03 ', 'BC04 ', & ! 6 \n & 'BC05 ', 'BC06 ', 'BC07 ', & ! 7 \n & 'BC08 ', 'BC09 ', 'BC09b ', & ! 8 \n & 'BC10 ', 'BC11 ', 'AE51 ', & ! 9 \n & 'AE52 ', 'AE53 ', 'AE54 ', & ! 0 \n & 'AE55 ', 'AE56 ', 'AE55b ', & ! 1 \n & 'AE56b ', 'TR01 ', 'TR02 ', & ! 2 \n & 'TR03 ', 'TR05 ', 'TR06 ', & ! 3 \n & 'TR07 ', 'TR08 ', 'TR09 ', & ! 4 \n & 'TR10 ', 'TR11 ', 'TR12 ', & ! 5 \n & 'TR13 ', 'TR14 ', 'TR15 ', & ! 6 \n & 'TR16 ', 'HET_N02 ', 'HET_N2O5IJ ', & ! 7 \n & 'HET_N2O5K ', 'HET_H2NO3PIJA ', 'HET_H2NO3PKA ', & ! 8 \n & 'HET_H2NO3PIB ', 'HET_H2NO3PJB ', 'HET_H2NO3PKB ', & ! 9 \n & 'HAL_Ozone ', 'OLIG_XYLENE1 ', 'OLIG_XYLENE2 ', & ! 0 \n & 'OLIG_TOLUENE1 ', 'OLIG_TOLUENE2 ', 'OLIG_BENZENE1 ', & ! 1 \n & 'OLIG_BENZENE2 ', 'OLIG_TERPENE1 ', 'OLIG_TERPENE2 ', & ! 2 \n & 'OLIG_ISOPRENE1 ', 'OLIG_ISOPRENE2 ', 'OLIG_SESQT1 ', & ! 3 \n & 'OLIG_PAH1 ', 'OLIG_PAH2 ', 'OLIG_ALK1 ', & ! 4 \n & 'OLIG_ALK2 ', 'RPOAGEPI ', 'RPOAGELI ', & ! 5 \n & 'RPOAGEPJ ', 'RPOAGELJ ', 'PCSOA ', & ! 6 \n & 'POA_AGE1 ', 'POA_AGE2 ', 'POA_AGE3 ', & ! 7 \n & 'POA_AGE4 ', 'POA_AGE5 ', 'POA_AGE6 ', & ! 8 \n & 'POA_AGE7 ', 'POA_AGE8 ', 'POA_AGE9 ', & ! 9 \n & 'POA_AGE10 ', 'HET_IEPOX '/ ! 0 \n\n! NSPECIAL = Number of special rate coefficients\n! SPECIAL = Names of special rate coefficients\n! NSPECIAL_RXN = Number of reactions with special rates\n! ISPECIAL = Pointers to reactions using special rates and their special rate coefficients\n! MAXSPECTERMS = Max Number of terms type used by special rate coefficients\n! KC_COEFFS = Coefficients of standard rate coefficients times concentration terms \n! INDEX_KTERMS = Pointers to standard rate coefficients in special rate coefficients\n! INDEX_CTERMS = Pointers to species concentrations in special rate coefficients\n! OPERATOR_COEFFS = Coefficients of preceeding special rate coefficients used in special coefficient \n! OPERATORS = Pointers to preceeding special rate coefficients used in special coefficient \n\n! Special Rate information not available ..\n INTEGER, PARAMETER :: NSPECIAL_RXN = 0\n INTEGER :: ISPECIAL( 1, 2 )\n\n! Special Rate information not available ...\n INTEGER, PARAMETER :: NSPECIAL = 0\n\n! Special Rate information not available ...\n CHARACTER( 16 ) :: SPECIAL( 1 )\n\n INTEGER, PARAMETER :: MAXSPECTERMS = 1\n REAL( 8 ) :: KC_COEFFS( NSPECIAL + 1, MAXSPECTERMS)\n INTEGER :: INDEX_KTERMS( NSPECIAL + 1, MAXSPECTERMS)\n INTEGER :: INDEX_CTERMS( NSPECIAL + 1, MAXSPECTERMS)\n REAL( 8 ) :: OPERATOR_COEFFS( NSPECIAL + 1, MAXSPECTERMS)\n INTEGER :: OPERATORS( NSPECIAL + 1, MAXSPECTERMS)\n\n\n! Steady-state species section\n! N_SS_SPC = Number of species assumed to be in steady-state\n! SS_SPC_DIM = Dimension paramete for steady-state species\n! SS_SPC = Names of species assumed to be in steady-state\n! MAX_SS_LOSS = Max no. of SS loss rxns for any SS species\n! MAX_SS_PROD = Max no. of SS prod rxns for any SS species\n! N_LOSS_RXNS = No. of SS loss rxns for each SS species\n! N_PROD_RXNS = No. of SS prod rxns for each SS species\n! SS_LOSS_RXNS = List of SS loss rxns for each SS species\n! SS_PROD_RXNS = List of SS prod rxns for each SS species\n! SS_PROD_COEF = List of SS prod yields for each SS species\n! SS_RCT_IND = SS species index if it is a rxn reactant\n\n INTEGER, PARAMETER :: N_SS_SPC = 0\n\n INTEGER, PARAMETER :: SS_SPC_DIM = 1\n\n INTEGER, PARAMETER :: MAX_SS_LOSS = 0\n\n INTEGER, PARAMETER :: MAX_SS_PROD = 0\n\n CHARACTER( 16 ) :: SS_SPC( 1 )\n\n INTEGER :: N_LOSS_RXNS( 1 )\n INTEGER :: N_PROD_RXNS( 1 )\n INTEGER :: SS_LOSS_RXNS( 1, 1 )\n INTEGER :: SS_PROD_RXNS( 1, 1 )\n INTEGER :: SS_RCT_IND( 1 )\n\n REAL :: SS_PROD_COEF( 1,1 ) \n LOGICAL, PARAMETER :: USE_SPECIAL_RATES = .FALSE.\n! pointers and names to specific photolysis rates\n INTEGER, PARAMETER :: IJ_NO2_06 = 1\n INTEGER, PARAMETER :: IJ_NO3NO_06 = 2\n INTEGER, PARAMETER :: IJ_NO3NO2_6 = 3\n INTEGER, PARAMETER :: IJ_O3O1D_06 = 4\n INTEGER, PARAMETER :: IJ_O3O3P_06 = 5\n INTEGER, PARAMETER :: IJ_HONO_06 = 6\n INTEGER, PARAMETER :: IJ_HNO3 = 7\n INTEGER, PARAMETER :: IJ_HNO4_06 = 8\n INTEGER, PARAMETER :: IJ_H2O2 = 9\n INTEGER, PARAMETER :: IJ_PAN = 10\n INTEGER, PARAMETER :: IJ_HCHOR_06 = 11\n INTEGER, PARAMETER :: IJ_HCHOM_06 = 12\n INTEGER, PARAMETER :: IJ_CCHO_R = 13\n INTEGER, PARAMETER :: IJ_C2CHO = 14\n INTEGER, PARAMETER :: IJ_ACET_06 = 15\n INTEGER, PARAMETER :: IJ_MEK_06 = 16\n INTEGER, PARAMETER :: IJ_COOH = 17\n INTEGER, PARAMETER :: IJ_GLY_07R = 18\n INTEGER, PARAMETER :: IJ_GLY_07M = 19\n INTEGER, PARAMETER :: IJ_MGLY_06 = 20\n INTEGER, PARAMETER :: IJ_BACL_07 = 21\n INTEGER, PARAMETER :: IJ_BALD_06 = 22\n INTEGER, PARAMETER :: IJ_AFG1 = 23\n INTEGER, PARAMETER :: IJ_MACR_06 = 24\n INTEGER, PARAMETER :: IJ_MVK_06 = 25\n INTEGER, PARAMETER :: IJ_IC3ONO2 = 26\n INTEGER, PARAMETER :: IJ_HOCCHO_IUPAC = 27\n INTEGER, PARAMETER :: IJ_ACRO_09 = 28\n INTEGER, PARAMETER :: IJ_PAA = 29\n INTEGER, PARAMETER :: IJ_CL2 = 30\n INTEGER, PARAMETER :: IJ_CLNO_06 = 31\n INTEGER, PARAMETER :: IJ_CLONO = 32\n INTEGER, PARAMETER :: IJ_CLNO2 = 33\n INTEGER, PARAMETER :: IJ_CLONO2_1 = 34\n INTEGER, PARAMETER :: IJ_CLONO2_2 = 35\n INTEGER, PARAMETER :: IJ_HOCL_06 = 36\n INTEGER, PARAMETER :: IJ_CLCCHO = 37\n INTEGER, PARAMETER :: IJ_CLACET = 38\n INTEGER, PARAMETER :: IK_HETERO_NO2 = 1\n INTEGER, PARAMETER :: IK_HETERO_N2O5IJ = 2\n INTEGER, PARAMETER :: IK_HETERO_N2O5K = 3\n INTEGER, PARAMETER :: IK_HETERO_H2NO3PAIJ = 4\n INTEGER, PARAMETER :: IK_HETERO_H2NO3PAK = 5\n INTEGER, PARAMETER :: IK_HETERO_H2NO3PBIJ = 6\n INTEGER, PARAMETER :: IK_HETERO_H2NO3PBK = 7\n INTEGER, PARAMETER :: IK_HETERO_PNCOMLI = 8\n INTEGER, PARAMETER :: IK_HETERO_PNCOMLJ = 9\n INTEGER, PARAMETER :: IK_HETERO_IEPOX = 10\n END MODULE RXNS_DATA\n" }, { "path": "CCTM/src/MECHS/saprc07tc_ae6_aq/RXNS_FUNC_MODULE.F90", "content": " MODULE RXNS_FUNCTION\n\n\n IMPLICIT NONE\n\n\n\n! Name of Mechanism SAPRC07TC_AE6_AQ\n\n PUBLIC :: CALC_RCONST, SPECIAL_RATES, MAP_CHEMISTRY_SPECIES\n\n CONTAINS\n\n\n REAL( 8 ) FUNCTION POWER_T02( TEMPOT300,A0,B0 )\n IMPLICIT NONE\n! rate constant for CMAQ Arrhenuis reaction type 2\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: TEMPOT300\n REAL( 8 ), INTENT( IN ) :: A0\n REAL( 8 ), INTENT( IN ) :: B0\n ! Local: None\n POWER_T02 = A0 * TEMPOT300**B0\n RETURN\n END FUNCTION POWER_T02\n REAL( 8 ) FUNCTION ARRHENUIS_T04( INV_TEMP,TEMPOT300,A0,B0,C0 )\n IMPLICIT NONE\n! rate constant for CMAQ Arrhenuis reaction type 4\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: INV_TEMP\n REAL( 8 ), INTENT( IN ) :: TEMPOT300\n REAL( 8 ), INTENT( IN ) :: A0\n REAL( 8 ), INTENT( IN ) :: B0\n REAL( 8 ), INTENT( IN ) :: C0\n ! Local:\n INTRINSIC DEXP\n ARRHENUIS_T04 = A0 * DEXP( B0 * INV_TEMP ) * TEMPOT300**C0\n RETURN\n END FUNCTION ARRHENUIS_T04\n REAL( 8 ) FUNCTION ARRHENUIS_T03( INV_TEMP,A0,B0 )\n! rate constant for CMAQ Arrhenuis reaction type 3\n IMPLICIT NONE\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: INV_TEMP\n REAL( 8 ), INTENT(IN) :: A0\n REAL( 8 ), INTENT(IN) :: B0\n ! Local:\n INTRINSIC DEXP\n ARRHENUIS_T03 = A0 * DEXP( B0 * INV_TEMP )\n RETURN\n END FUNCTION ARRHENUIS_T03 \n REAL( 8 ) FUNCTION FALLOFF_T08(INV_TEMP,CAIR,A0,C0,A2,C2,A3,C3)\n! rate constant for CMAQ fall off reaction type 8\n IMPLICIT NONE\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: INV_TEMP\n REAL( 8 ), INTENT( IN ) :: CAIR\n REAL( 8 ), INTENT( IN ) :: A0\n REAL( 8 ), INTENT( IN ) :: C0\n REAL( 8 ), INTENT( IN ) :: A2\n REAL( 8 ), INTENT( IN ) :: C2\n REAL( 8 ), INTENT( IN ) :: A3\n REAL( 8 ), INTENT( IN ) :: C3\n ! Local:\n REAL( 8 ) K0\n REAL( 8 ) K2\n REAL( 8 ) K3\n INTRINSIC DEXP\n K0 = A0 * DEXP( C0 * INV_TEMP )\n K2 = A2 * DEXP( C2 * INV_TEMP )\n K3 = A3 * DEXP( C3 * INV_TEMP )\n K3 = K3 * CAIR\n FALLOFF_T08 = K0 + K3/( 1.0D0 + K3/K2 )\n RETURN\n END FUNCTION FALLOFF_T08\n REAL( 8 ) FUNCTION FALLOFF_T09(INV_TEMP,CAIR,A1,C1,A2,C2)\n! rate constant for CMAQ fall off reaction type 9\n IMPLICIT NONE\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: INV_TEMP\n REAL( 8 ), INTENT( IN ) :: CAIR\n REAL( 8 ), INTENT( IN ) :: A1\n REAL( 8 ), INTENT( IN ) :: C1\n REAL( 8 ), INTENT( IN ) :: A2\n REAL( 8 ), INTENT( IN ) :: C2\n ! Local:\n REAL( 8 ) K1\n REAL( 8 ) K2\n INTRINSIC DEXP\n K1 = A1 * DEXP( C1 * INV_TEMP )\n K2 = A2 * DEXP( C2 * INV_TEMP )\n FALLOFF_T09 = K1 + K2 * CAIR\n RETURN\n END FUNCTION FALLOFF_T09\n REAL( 8 ) FUNCTION FALLOFF_T10(INV_TEMP,TEMPOT300,CAIR,A0,B0,C0,A1,B1,C1,CE,CF)\n IMPLICIT NONE\n! rate constant for CMAQ fall off reaction type 10\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: INV_TEMP\n REAL( 8 ), INTENT( IN ) :: TEMPOT300\n REAL( 8 ), INTENT( IN ) :: CAIR\n REAL( 8 ), INTENT( IN ) :: A0\n REAL( 8 ), INTENT( IN ) :: B0\n REAL( 8 ), INTENT( IN ) :: C0\n REAL( 8 ), INTENT( IN ) :: A1\n REAL( 8 ), INTENT( IN ) :: B1\n REAL( 8 ), INTENT( IN ) :: C1\n REAL( 8 ), INTENT( IN ) :: CE\n REAL( 8 ), INTENT( IN ) :: CF\n ! Local:\n REAL( 8 ) K0\n REAL( 8 ) K1\n REAL( 8 ) KEND\n K0 = A0 * CAIR * DEXP(B0*INV_TEMP)* TEMPOT300**C0\n K1 = A1 * DEXP(B1*INV_TEMP) * TEMPOT300**C1\n KEND = ( ( 1.0D0 + ( ( 1.0D0 / CE ) * DLOG10( K0 / K1 ) ) ** 2.0D0 ) )\n KEND = 1.0D0 / KEND\n FALLOFF_T10 = ( K0 / ( 1.0D0 + K0/K1 ) ) * CF ** KEND\n RETURN\n END FUNCTION FALLOFF_T10\n REAL( 8 ) FUNCTION FALLOFF_T11(INV_TEMP,TEMPOT300,CAIR,A1,B1,C1,A2, B2, C2, D1, D2)\n! rate constant for CMAQ fall off reaction type 11\n! actually expanded form of type 9\n IMPLICIT NONE\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: INV_TEMP\n REAL( 8 ), INTENT( IN ) :: TEMPOT300\n REAL( 8 ), INTENT( IN ) :: CAIR\n REAL( 8 ), INTENT( IN ) :: A1\n REAL( 8 ), INTENT( IN ) :: B1\n REAL( 8 ), INTENT( IN ) :: C1\n REAL( 8 ), INTENT( IN ) :: A2\n REAL( 8 ), INTENT( IN ) :: B2\n REAL( 8 ), INTENT( IN ) :: C2\n REAL( 8 ), INTENT( IN ) :: D1\n REAL( 8 ), INTENT( IN ) :: D2\n ! Local:\n REAL( 8 ) K1\n REAL( 8 ) K2\n REAL( 8 ) K3\n INTRINSIC DEXP\n K1 = A1 * DEXP( C1 * INV_TEMP ) * TEMPOT300**B1\n K2 = A2 * DEXP( C2 * INV_TEMP ) * TEMPOT300**B2\n K3 = D1 * DEXP( D2 * INV_TEMP )\n FALLOFF_T11 = K1 + K2 * CAIR + K3\n RETURN\n END FUNCTION FALLOFF_T11\n REAL( 8 ) FUNCTION HALOGEN_FALLOFF(PRESS,A1,B1,A2,B2,A3)\n IMPLICIT NONE\n REAL( 8 ), INTENT( IN ) :: PRESS\n REAL( 8 ), INTENT( IN ) :: A1\n REAL( 8 ), INTENT( IN ) :: B1\n REAL( 8 ), INTENT( IN ) :: A2\n REAL( 8 ), INTENT( IN ) :: B2\n REAL( 8 ), INTENT( IN ) :: A3 ! Maximum loss rate (1/sec)\n INTRINSIC DEXP\n HALOGEN_FALLOFF = A1 * DEXP( B1 * PRESS ) + A2 * DEXP( B2 * PRESS )\n HALOGEN_FALLOFF = DMIN1 (A3, HALOGEN_FALLOFF )\n RETURN\n END FUNCTION HALOGEN_FALLOFF\n\n SUBROUTINE SPECIAL_RATES( NUMCELLS, Y, TEMP, DENS, RKI )\n! Purpose: calculate special rate operators and update\n! appropriate rate constants\n\n USE RXNS_DATA\n IMPLICIT NONE\n\n! Arguments:\n INTEGER, INTENT( IN ) :: NUMCELLS ! Number of cells in block \n REAL( 8 ), INTENT( IN ) :: Y( :, : ) ! species concs\n REAL( 8 ), INTENT( IN ) :: TEMP( : ) ! air temperature, K \n REAL( 8 ), INTENT( IN ) :: DENS( : ) ! air density, Kg/m3\n REAL( 8 ), INTENT( INOUT ) :: RKI( :, : ) ! reaction rate constant, ppm/min \n! Local:\n REAL( 8 ), PARAMETER :: DENSITY_TO_NUMBER = 2.07930D+19 ! Kg/m3 to molecules/cm3\n\n INTEGER :: NCELL\n REAL( 8 ) :: INV_TEMP\n REAL( 8 ) :: CAIR\n REAL( 8 ) :: CFACT ! scales operator if not multiplied by RKI, cm^3/(molecule) to 1/(ppm)\n REAL( 8 ) :: CFACT_SQU ! scales operator if not multiplied by RKI, cm^6/(molec^2) to 1/(ppm^2)\n! special rate operators listed below\n\n\n\n DO NCELL = 1, NUMCELLS\n INV_TEMP = 1.0D0 / TEMP( NCELL )\n CAIR = DENSITY_TO_NUMBER * DENS( NCELL )\n CFACT = 1.0D-06 * CAIR\n CFACT_SQU = 1.0D-12 * CAIR * CAIR\n\n\n! define special rate operators\n\n\n! define rate constants in terms of special rate operators \n\n END DO\n\n RETURN\n END SUBROUTINE SPECIAL_RATES\n \n SUBROUTINE CALC_RCONST( BLKTEMP, BLKPRES, BLKH2O, RJBLK, BLKHET, LSUNLIGHT, SEAWATER, RKI, NUMCELLS )\n\n!**********************************************************************\n\n! Function: To compute thermal and photolytic reaction rate\n! coefficients for each reaction.\n\n! Preconditions: Photolysis rates for individual species must have\n! been calculated and stored in RJPHOT. Expects\n! temperature in deg K, pressure in atm., water\n! vapor in ppmV, and J-values in /min.\n! Key Subroutines/Functions Called: POWER_02, ARRHRENUIS_T0*, FALLOFF_T*, HALOGEN_FALLOFF \n!***********************************************************************\n\n\n\n\n USE RXNS_DATA\n\n IMPLICIT NONE \n\n! Arguements: None \n\n REAL( 8 ), INTENT( IN ) :: BLKTEMP( : ) ! temperature, deg K \n REAL( 8 ), INTENT( IN ) :: BLKPRES( : ) ! pressure, Atm\n REAL( 8 ), INTENT( IN ) :: BLKH2O ( : ) ! water mixing ratio, ppm \n REAL( 8 ), INTENT( IN ) :: RJBLK ( :, : ) ! photolysis rates, 1/min \n REAL( 8 ), INTENT( IN ) :: BLKHET ( :, : ) ! heterogeneous rate constants, ???/min\n INTEGER, INTENT( IN ) :: NUMCELLS ! Number of cells in block \n LOGICAL, INTENT( IN ) :: LSUNLIGHT ! Is there sunlight? \n REAL( 8 ), INTENT( IN ) :: SEAWATER( : ) ! fractional area of OPEN+SURF \n REAL( 8 ), INTENT( OUT ) :: RKI ( :, : ) ! reaction rate constant, ppm/min \n!..Parameters: \n\n REAL( 8 ), PARAMETER :: COEF1 = 7.33981D+15 ! Molec/cc to ppm conv factor \n REAL( 8 ), PARAMETER :: CONSTC = 0.6D+0 ! Constant for reaction type 7\n REAL( 8 ), PARAMETER :: TI300 = 1.0D+0/300.0D+0 ! reciprocal of 300 deg K\n REAL( 8 ), PARAMETER :: SFACT = 60.D+0 ! seconds per minute \n!..External Functions: None\n\n!..Local Variables:\n\n INTEGER :: NRT ! Loop index for reaction types \n INTEGER :: IRXN ! Reaction number\n INTEGER :: JNUM ! J-value species # from PHOT)\n INTEGER :: KNUM ! Reaction # for a relative rate coeff.\n INTEGER :: N ! Loop index for reactions\n INTEGER :: NCELL ! Loop index for # of cells in the block\n REAL( 8 ) :: CAIR ! air number density (wet) [molec/cm^3]\n REAL( 8 ) :: CFACT ! Convertor cm^3/(molec*sec) to 1/(ppm*min)\n REAL( 8 ) :: CFACT_SQU ! Convertor cm^6/(molec^2*sec) to 1/(ppm^2*min)\n REAL( 8 ) :: INV_CFACT ! ppm/min to molec/(cm^3*sec)\n REAL( 8 ) :: TEMPOT300 ! temperature divided by 300 K, dimensionaless \n REAL( 8 ) :: INV_TEMP ! reciprocal of air temperature, K-1\n REAL( 8 ) :: INV_CAIR ! reciprocal of air number density (wet), [cm^3/molec]\n REAL( 8 ) :: TEMP ! air temperature, K\n REAL( 8 ) :: PRESS ! pressure [Atm] \n REAL( 8 ) :: INV_RFACT ! ppm/min to molec/(cm^3*min)\n REAL( 8 ) :: RFACT_SQU ! cm^6/(molec^2*min) to 1/(ppm^2*min)\n REAL( 8 ) :: RFACT ! cm^3/(molec*min) to 1/(ppm*min)\n REAL( 8 ) :: H2O ! concentration, [molec/cm^3] \n\n RKI = 0.0D0 \n\n! All rate constants converted from molec/cm3 to ppm\n! and 1/sec to 1/min\n\n IF( LSUNLIGHT )THEN \n DO NCELL = 1, NUMCELLS \n\n! Reaction Label 1 \n RKI( NCELL, 1) = RJBLK( NCELL, IJ_NO2_06 )\n! Reaction Label 16 \n RKI( NCELL, 16) = RJBLK( NCELL, IJ_NO3NO_06 )\n! Reaction Label 17 \n RKI( NCELL, 17) = RJBLK( NCELL, IJ_NO3NO2_6 )\n! Reaction Label 18 \n RKI( NCELL, 18) = RJBLK( NCELL, IJ_O3O1D_06 )\n! Reaction Label 19 \n RKI( NCELL, 19) = RJBLK( NCELL, IJ_O3O3P_06 )\n! Reaction Label 23 \n RKI( NCELL, 23) = RJBLK( NCELL, IJ_HONO_06 )\n! Reaction Label 28 \n RKI( NCELL, 28) = RJBLK( NCELL, IJ_HNO3 )\n! Reaction Label 34 \n RKI( NCELL, 34) = RJBLK( NCELL, IJ_HNO4_06 )\n! Reaction Label 41 \n RKI( NCELL, 41) = RJBLK( NCELL, IJ_H2O2 )\n! Reaction Label BR20 \n RKI( NCELL, 65) = RJBLK( NCELL, IJ_PAN )\n! Reaction Label BR30 \n RKI( NCELL, 75) = RJBLK( NCELL, IJ_PAN )\n! Reaction Label BR41 \n RKI( NCELL, 86) = RJBLK( NCELL, IJ_PAN )\n! Reaction Label BR53 \n RKI( NCELL, 98) = RJBLK( NCELL, IJ_PAN )\n! Reaction Label BP01 \n RKI( NCELL, 204) = RJBLK( NCELL, IJ_HCHOR_06 )\n! Reaction Label BP02 \n RKI( NCELL, 205) = RJBLK( NCELL, IJ_HCHOM_06 )\n! Reaction Label BP09 \n RKI( NCELL, 209) = RJBLK( NCELL, IJ_CCHO_R )\n! Reaction Label BP12 \n RKI( NCELL, 212) = RJBLK( NCELL, IJ_C2CHO )\n! Reaction Label BP15 \n RKI( NCELL, 215) = 5.0000D-01 * RJBLK( NCELL, IJ_ACET_06 )\n! Reaction Label BP17 \n RKI( NCELL, 217) = 1.7500D-01 * RJBLK( NCELL, IJ_MEK_06 )\n! Reaction Label BP23 \n RKI( NCELL, 223) = RJBLK( NCELL, IJ_COOH )\n! Reaction Label BP25 \n RKI( NCELL, 225) = RJBLK( NCELL, IJ_COOH )\n! Reaction Label BP27 \n RKI( NCELL, 227) = RJBLK( NCELL, IJ_COOH )\n! Reaction Label BP29 \n RKI( NCELL, 229) = RJBLK( NCELL, IJ_COOH )\n! Reaction Label BP30 \n RKI( NCELL, 230) = RJBLK( NCELL, IJ_GLY_07R )\n! Reaction Label BP31 \n RKI( NCELL, 231) = RJBLK( NCELL, IJ_GLY_07M )\n! Reaction Label BP34 \n RKI( NCELL, 234) = RJBLK( NCELL, IJ_MGLY_06 )\n! Reaction Label BP37 \n RKI( NCELL, 237) = RJBLK( NCELL, IJ_BACL_07 )\n! Reaction Label BP41 \n RKI( NCELL, 241) = 1.5000D-03 * RJBLK( NCELL, IJ_NO2_06 )\n! Reaction Label BP42 \n RKI( NCELL, 242) = 1.5000D-02 * RJBLK( NCELL, IJ_NO2_06 )\n! Reaction Label BP44 \n RKI( NCELL, 244) = 6.0000D-02 * RJBLK( NCELL, IJ_BALD_06 )\n! Reaction Label BP48 \n RKI( NCELL, 248) = RJBLK( NCELL, IJ_AFG1 )\n! Reaction Label BP51 \n RKI( NCELL, 251) = RJBLK( NCELL, IJ_AFG1 )\n! Reaction Label BP58 \n RKI( NCELL, 258) = RJBLK( NCELL, IJ_MACR_06 )\n! Reaction Label BP63 \n RKI( NCELL, 262) = RJBLK( NCELL, IJ_MVK_06 )\n! Reaction Label BP67 \n RKI( NCELL, 266) = RJBLK( NCELL, IJ_MACR_06 )\n! Reaction Label BP69 \n RKI( NCELL, 268) = 4.8600D-03 * RJBLK( NCELL, IJ_MEK_06 )\n! Reaction Label BP71 \n RKI( NCELL, 270) = RJBLK( NCELL, IJ_IC3ONO2 )\n! Reaction Label BP73 \n RKI( NCELL, 272) = RJBLK( NCELL, IJ_HOCCHO_IUPAC )\n! Reaction Label BP79 \n RKI( NCELL, 278) = RJBLK( NCELL, IJ_ACRO_09 )\n! Reaction Label BP81 \n RKI( NCELL, 280) = RJBLK( NCELL, IJ_PAA )\n! Reaction Label BP83 \n RKI( NCELL, 282) = RJBLK( NCELL, IJ_PAA )\n! Reaction Label IS92 \n RKI( NCELL, 545) = RJBLK( NCELL, IJ_COOH )\n! Reaction Label CI01 \n RKI( NCELL, 590) = RJBLK( NCELL, IJ_CL2 )\n! Reaction Label CI03 \n RKI( NCELL, 592) = RJBLK( NCELL, IJ_CLNO_06 )\n! Reaction Label CI06 \n RKI( NCELL, 595) = RJBLK( NCELL, IJ_CLONO )\n! Reaction Label CI07 \n RKI( NCELL, 596) = RJBLK( NCELL, IJ_CLNO2 )\n! Reaction Label CI14 \n RKI( NCELL, 603) = RJBLK( NCELL, IJ_CLONO2_1 )\n! Reaction Label CI15 \n RKI( NCELL, 604) = RJBLK( NCELL, IJ_CLONO2_2 )\n! Reaction Label CI19 \n RKI( NCELL, 608) = RJBLK( NCELL, IJ_HOCL_06 )\n! Reaction Label CP19 \n RKI( NCELL, 631) = RJBLK( NCELL, IJ_CLCCHO )\n! Reaction Label CP22 \n RKI( NCELL, 634) = 5.0000D-01 * RJBLK( NCELL, IJ_CLACET )\n! Reaction Label TR01 \n RKI( NCELL, 698) = RJBLK( NCELL, IJ_HCHOR_06 )\n! Reaction Label TR02 \n RKI( NCELL, 699) = RJBLK( NCELL, IJ_HCHOM_06 )\n! Reaction Label TR08 \n RKI( NCELL, 704) = RJBLK( NCELL, IJ_CCHO_R )\n! Reaction Label TR15 \n RKI( NCELL, 711) = RJBLK( NCELL, IJ_ACRO_09 )\n\n IF ( SEAWATER (NCELL) .GT. 0.001D0 ) THEN\n! Reaction Label HAL_Ozone \n RKI( NCELL, 721) = SEAWATER (NCELL) * SFACT * HALOGEN_FALLOFF( BLKPRES( NCELL ), 6.7006D-11, 1.0743D+01, & \n & 3.4153D-08, -6.7130D-01, 2.0000D-06 )\n ELSE\n RKI( NCELL, 721) = 0.0D0 \n END IF\n\n END DO \n END IF \n\n DO NCELL = 1, NUMCELLS \n! Set-up conversion factors \n INV_TEMP = 1.0D+00 / BLKTEMP( NCELL ) \n CAIR = 1.0D+06 * COEF1 * BLKPRES( NCELL ) * INV_TEMP \n CFACT = 6.0D-05 * CAIR\n CFACT_SQU = 6.0D-11 * CAIR * CAIR \n INV_CAIR = 1.0D0 / CAIR \n INV_CFACT = 6.0D+07 * INV_CAIR \n TEMP = BLKTEMP( NCELL ) \n TEMPOT300 = BLKTEMP( NCELL ) * TI300 \n RFACT = 1.0D+06 * INV_CAIR \n RFACT_SQU = 1.0D+12 * INV_CAIR * INV_CAIR \n\n! Reaction Label 2 \n RKI( NCELL, 2) = CFACT_SQU * POWER_T02( TEMPOT300, 5.6800D-34, -2.6000D+00 )\n! Reaction Label 3 \n RKI( NCELL, 3) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.0000D-12, -2.0600D+03 )\n! Reaction Label 4 \n RKI( NCELL, 4) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 9.0000D-32, 0.0000D+00, -1.5000D+00, & \n & 3.0000D-11, 0.0000D+00, 0.0000D+00, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label 5 \n RKI( NCELL, 5) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.5000D-12, 1.8800D+02 )\n! Reaction Label 6 \n RKI( NCELL, 6) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 2.5000D-31, 0.0000D+00, -1.8000D+00, & \n & 2.2000D-11, 0.0000D+00, -7.0000D-01, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label 7 \n RKI( NCELL, 7) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.0000D-12, -1.5000D+03 )\n! Reaction Label 8 \n RKI( NCELL, 8) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.4000D-13, -2.4700D+03 )\n! Reaction Label 9 \n RKI( NCELL, 9) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.8000D-11, 1.1000D+02 )\n! Reaction Label 10 \n RKI( NCELL, 10) = CFACT_SQU * ARRHENUIS_T03( INV_TEMP, 3.3000D-39, 5.3000D+02 )\n! Reaction Label 11 \n RKI( NCELL, 11) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 3.6000D-30, 0.0000D+00, -4.1000D+00, & \n & 1.9000D-12, 0.0000D+00, 2.0000D-01, & \n & 1.3300D+00, 3.5000D-01 )\n! Reaction Label 12 \n RKI( NCELL, 12) = SFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 1.3000D-03, -1.1000D+04, -3.5000D+00, & \n & 9.7000D+14, -1.1080D+04, 1.0000D-01, & \n & 1.3300D+00, 3.5000D-01 )\n! Reaction Label 13 \n RKI( NCELL, 13) = 1.0000D-22 * CFACT \n! Reaction Label 14 \n RKI( NCELL, 14) = 0.0000D+00 * CFACT_SQU \n! Reaction Label 15 \n RKI( NCELL, 15) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.5000D-14, -1.2600D+03 )\n! Reaction Label 20 \n RKI( NCELL, 20) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.6300D-10, 6.0000D+01 )\n! Reaction Label 21 \n RKI( NCELL, 21) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.3800D-11, 9.6000D+01 )\n! Reaction Label 22 \n RKI( NCELL, 22) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 7.0000D-31, 0.0000D+00, -2.6000D+00, & \n & 3.6000D-11, 0.0000D+00, -1.0000D-01, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label 24 \n RKI( NCELL, 24) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.5000D-12, 2.6000D+02 )\n! Reaction Label 25 \n RKI( NCELL, 25) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 3.2000D-30, 0.0000D+00, -4.5000D+00, & \n & 3.0000D-11, 0.0000D+00, 0.0000D+00, & \n & 1.2400D+00, 4.1000D-01 )\n! Reaction Label 26 \n RKI( NCELL, 26) = 2.0000D-11 * CFACT \n! Reaction Label 27 \n RKI( NCELL, 27) = CFACT * FALLOFF_T08( INV_TEMP, CAIR, & \n & 2.4000D-14, 4.6000D+02, 2.7000D-17, & \n & 2.1990D+03, 6.5000D-34, 1.3350D+03 )\n! Reaction Label 29 \n RKI( NCELL, 29) = CFACT * FALLOFF_T09( INV_TEMP, CAIR, & \n & 1.4400D-13, 0.0000D+00, 3.4300D-33, & \n & 0.0000D+00 )\n! Reaction Label 30 \n RKI( NCELL, 30) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.7000D-12, -9.4000D+02 )\n! Reaction Label 31 \n RKI( NCELL, 31) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.6000D-12, 2.7000D+02 )\n! Reaction Label 32 \n RKI( NCELL, 32) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 2.0000D-31, 0.0000D+00, -3.4000D+00, & \n & 2.9000D-12, 0.0000D+00, -1.1000D+00, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label 33 \n RKI( NCELL, 33) = SFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 3.7200D-05, -1.0650D+04, -2.4000D+00, & \n & 5.4200D+15, -1.1170D+04, -2.3000D+00, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label 35 \n RKI( NCELL, 35) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.3000D-12, 3.8000D+02 )\n! Reaction Label 36 \n RKI( NCELL, 36) = CFACT * ARRHENUIS_T04( INV_TEMP, TEMPOT300, & \n & 2.0300D-16, 6.9300D+02, 4.5700D+00 )\n! Reaction Label 37 \n RKI( NCELL, 37) = CFACT * FALLOFF_T09( INV_TEMP, CAIR, & \n & 2.2000D-13, 6.0000D+02, 1.9000D-33, & \n & 9.8000D+02 )\n! Reaction Label 38 \n RKI( NCELL, 38) = CFACT_SQU * FALLOFF_T09( INV_TEMP, CAIR, & \n & 3.0800D-34, 2.8000D+03, 2.6600D-54, & \n & 3.1800D+03 )\n! Reaction Label 39 \n RKI( NCELL, 39) = 4.0000D-12 * CFACT \n! Reaction Label 40 \n RKI( NCELL, 40) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.5000D-13, -2.4500D+03 )\n! Reaction Label 42 \n RKI( NCELL, 42) = 1.8000D-12 * CFACT \n! Reaction Label 43 \n RKI( NCELL, 43) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.8000D-11, 2.5000D+02 )\n! Reaction Label 44 \n RKI( NCELL, 44) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 3.3000D-31, 0.0000D+00, -4.3000D+00, & \n & 1.6000D-12, 0.0000D+00, 0.0000D+00, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label 45 \n RKI( NCELL, 45) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.7000D-12, -2.1000D+03 )\n! Reaction Label BR01 \n RKI( NCELL, 46) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.3000D-12, 3.6000D+02 )\n! Reaction Label BR02 \n RKI( NCELL, 47) = CFACT * ARRHENUIS_T04( INV_TEMP, TEMPOT300, & \n & 3.4600D-13, 7.8000D+02, 3.6000D-01 )\n! Reaction Label BR03 \n RKI( NCELL, 48) = CFACT * ARRHENUIS_T04( INV_TEMP, TEMPOT300, & \n & 3.3400D-14, 7.8000D+02, -3.5300D+00 )\n! Reaction Label BR04 \n RKI( NCELL, 49) = 1.3000D-12 * CFACT \n! Reaction Label BR05 \n RKI( NCELL, 50) = CFACT * ARRHENUIS_T04( INV_TEMP, TEMPOT300, & \n & 6.3900D-14, 3.6500D+02, -1.8000D+00 )\n! Reaction Label BR06 \n RKI( NCELL, 51) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4000D-13, -5.2000D+02 )\n! Reaction Label BR07 \n RKI( NCELL, 52) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.6000D-12, 3.8000D+02 )\n! Reaction Label BR08 \n RKI( NCELL, 53) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.8000D-13, 9.0000D+02 )\n! Reaction Label BR09 \n RKI( NCELL, 54) = 2.3000D-12 * CFACT \n! Reaction Label BR10 \n RKI( NCELL, 55) = 2.0000D-13 * CFACT \n! Reaction Label BR11 \n RKI( NCELL, 56) = 3.5000D-14 * CFACT \n! Reaction Label BR12 \n RKI( NCELL, 57) = RKI( NCELL, 52 ) \n! Reaction Label BR13 \n RKI( NCELL, 58) = RKI( NCELL, 53 ) \n! Reaction Label BR14 \n RKI( NCELL, 59) = RKI( NCELL, 54 ) \n! Reaction Label BR15 \n RKI( NCELL, 60) = RKI( NCELL, 55 ) \n! Reaction Label BR16 \n RKI( NCELL, 61) = RKI( NCELL, 56 ) \n! Reaction Label BR17 \n RKI( NCELL, 62) = RKI( NCELL, 56 ) \n! Reaction Label BR18 \n RKI( NCELL, 63) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 2.7000D-28, 0.0000D+00, -7.1000D+00, & \n & 1.2100D-11, 0.0000D+00, -9.0000D-01, & \n & 1.4100D+00, 3.0000D-01 )\n! Reaction Label BR19 \n RKI( NCELL, 64) = SFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 4.9000D-03, -1.2100D+04, 0.0000D+00, & \n & 4.0000D+16, -1.3600D+04, 0.0000D+00, & \n & 1.4100D+00, 3.0000D-01 )\n! Reaction Label BR21 \n RKI( NCELL, 66) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.5000D-12, 2.9000D+02 )\n! Reaction Label BR22 \n RKI( NCELL, 67) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.2000D-13, 9.8000D+02 )\n! Reaction Label BR23 \n RKI( NCELL, 68) = RKI( NCELL, 54 ) \n! Reaction Label BR24 \n RKI( NCELL, 69) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.0000D-12, 5.0000D+02 )\n! Reaction Label BR25 \n RKI( NCELL, 70) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.4000D-13, 1.0700D+03 )\n! Reaction Label BR26 \n RKI( NCELL, 71) = RKI( NCELL, 70 ) \n! Reaction Label BR27 \n RKI( NCELL, 72) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9000D-12, 5.0000D+02 )\n! Reaction Label BR28 \n RKI( NCELL, 73) = CFACT * ARRHENUIS_T04( INV_TEMP, TEMPOT300, & \n & 1.2100D-11, 0.0000D+00, -1.0700D+00 )\n! Reaction Label BR29 \n RKI( NCELL, 74) = SFACT * ARRHENUIS_T03( INV_TEMP, 8.3000D+16, -1.3940D+04 )\n! Reaction Label BR31 \n RKI( NCELL, 76) = CFACT * ARRHENUIS_T03( INV_TEMP, 6.7000D-12, 3.4000D+02 )\n! Reaction Label BR32 \n RKI( NCELL, 77) = RKI( NCELL, 67 ) \n! Reaction Label BR33 \n RKI( NCELL, 78) = RKI( NCELL, 54 ) \n! Reaction Label BR34 \n RKI( NCELL, 79) = RKI( NCELL, 69 ) \n! Reaction Label BR35 \n RKI( NCELL, 80) = RKI( NCELL, 70 ) \n! Reaction Label BR36 \n RKI( NCELL, 81) = RKI( NCELL, 70 ) \n! Reaction Label BR37 \n RKI( NCELL, 82) = RKI( NCELL, 72 ) \n! Reaction Label BR38 \n RKI( NCELL, 83) = RKI( NCELL, 72 ) \n! Reaction Label BR39 \n RKI( NCELL, 84) = 1.3700D-11 * CFACT \n! Reaction Label BR40 \n RKI( NCELL, 85) = SFACT * ARRHENUIS_T03( INV_TEMP, 7.9000D+16, -1.4000D+04 )\n! Reaction Label BR42 \n RKI( NCELL, 87) = RKI( NCELL, 76 ) \n! Reaction Label BR43 \n RKI( NCELL, 88) = RKI( NCELL, 67 ) \n! Reaction Label BR44 \n RKI( NCELL, 89) = RKI( NCELL, 54 ) \n! Reaction Label BR45 \n RKI( NCELL, 90) = RKI( NCELL, 69 ) \n! Reaction Label BR46 \n RKI( NCELL, 91) = RKI( NCELL, 70 ) \n! Reaction Label BR47 \n RKI( NCELL, 92) = RKI( NCELL, 70 ) \n! Reaction Label BR48 \n RKI( NCELL, 93) = RKI( NCELL, 72 ) \n! Reaction Label BR49 \n RKI( NCELL, 94) = RKI( NCELL, 72 ) \n! Reaction Label BR50 \n RKI( NCELL, 95) = RKI( NCELL, 72 ) \n! Reaction Label BR51 \n RKI( NCELL, 96) = RKI( NCELL, 73 ) \n! Reaction Label BR52 \n RKI( NCELL, 97) = SFACT * ARRHENUIS_T03( INV_TEMP, 1.6000D+16, -1.3486D+04 )\n! Reaction Label BR54 \n RKI( NCELL, 99) = RKI( NCELL, 76 ) \n! Reaction Label BR55 \n RKI( NCELL, 100) = RKI( NCELL, 67 ) \n! Reaction Label BR56 \n RKI( NCELL, 101) = RKI( NCELL, 54 ) \n! Reaction Label BR57 \n RKI( NCELL, 102) = RKI( NCELL, 69 ) \n! Reaction Label BR58 \n RKI( NCELL, 103) = RKI( NCELL, 70 ) \n! Reaction Label BR59 \n RKI( NCELL, 104) = RKI( NCELL, 70 ) \n! Reaction Label BR60 \n RKI( NCELL, 105) = RKI( NCELL, 72 ) \n! Reaction Label BR61 \n RKI( NCELL, 106) = RKI( NCELL, 72 ) \n! Reaction Label BR62 \n RKI( NCELL, 107) = RKI( NCELL, 72 ) \n! Reaction Label BR63 \n RKI( NCELL, 108) = RKI( NCELL, 72 ) \n! Reaction Label BR64 \n RKI( NCELL, 109) = 2.4000D-11 * CFACT \n! Reaction Label BR65 \n RKI( NCELL, 110) = SFACT * ARRHENUIS_T03( INV_TEMP, 7.5000D+14, -8.1520D+03 )\n! Reaction Label BR66 \n RKI( NCELL, 111) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.3000D-11, 1.5000D+02 )\n! Reaction Label BR67 \n RKI( NCELL, 112) = RKI( NCELL, 53 ) \n! Reaction Label BR68 \n RKI( NCELL, 113) = 1.0000D-03 * SFACT \n! Reaction Label R019 \n RKI( NCELL, 114) = RKI( NCELL, 52 ) \n! Reaction Label R020 \n RKI( NCELL, 115) = RKI( NCELL, 53 ) \n! Reaction Label R021 \n RKI( NCELL, 116) = RKI( NCELL, 54 ) \n! Reaction Label R022 \n RKI( NCELL, 117) = RKI( NCELL, 55 ) \n! Reaction Label R023 \n RKI( NCELL, 118) = RKI( NCELL, 56 ) \n! Reaction Label R024 \n RKI( NCELL, 119) = RKI( NCELL, 56 ) \n! Reaction Label R025 \n RKI( NCELL, 120) = RKI( NCELL, 70 ) \n! Reaction Label R026 \n RKI( NCELL, 121) = RKI( NCELL, 70 ) \n! Reaction Label R027 \n RKI( NCELL, 122) = RKI( NCELL, 70 ) \n! Reaction Label R028 \n RKI( NCELL, 123) = RKI( NCELL, 70 ) \n! Reaction Label R029 \n RKI( NCELL, 124) = RKI( NCELL, 52 ) \n! Reaction Label R030 \n RKI( NCELL, 125) = RKI( NCELL, 53 ) \n! Reaction Label R031 \n RKI( NCELL, 126) = RKI( NCELL, 54 ) \n! Reaction Label R032 \n RKI( NCELL, 127) = RKI( NCELL, 55 ) \n! Reaction Label R033 \n RKI( NCELL, 128) = RKI( NCELL, 56 ) \n! Reaction Label R034 \n RKI( NCELL, 129) = RKI( NCELL, 56 ) \n! Reaction Label R035 \n RKI( NCELL, 130) = RKI( NCELL, 70 ) \n! Reaction Label R036 \n RKI( NCELL, 131) = RKI( NCELL, 70 ) \n! Reaction Label R037 \n RKI( NCELL, 132) = RKI( NCELL, 70 ) \n! Reaction Label R038 \n RKI( NCELL, 133) = RKI( NCELL, 70 ) \n! Reaction Label R039 \n RKI( NCELL, 134) = RKI( NCELL, 52 ) \n! Reaction Label R040 \n RKI( NCELL, 135) = RKI( NCELL, 53 ) \n! Reaction Label R041 \n RKI( NCELL, 136) = RKI( NCELL, 54 ) \n! Reaction Label R042 \n RKI( NCELL, 137) = RKI( NCELL, 55 ) \n! Reaction Label R043 \n RKI( NCELL, 138) = RKI( NCELL, 56 ) \n! Reaction Label R044 \n RKI( NCELL, 139) = RKI( NCELL, 56 ) \n! Reaction Label R045 \n RKI( NCELL, 140) = RKI( NCELL, 70 ) \n! Reaction Label R046 \n RKI( NCELL, 141) = RKI( NCELL, 70 ) \n! Reaction Label R047 \n RKI( NCELL, 142) = RKI( NCELL, 70 ) \n! Reaction Label R048 \n RKI( NCELL, 143) = RKI( NCELL, 70 ) \n! Reaction Label R049 \n RKI( NCELL, 144) = RKI( NCELL, 52 ) \n! Reaction Label R050 \n RKI( NCELL, 145) = RKI( NCELL, 53 ) \n! Reaction Label R051 \n RKI( NCELL, 146) = RKI( NCELL, 54 ) \n! Reaction Label R052 \n RKI( NCELL, 147) = RKI( NCELL, 55 ) \n! Reaction Label R053 \n RKI( NCELL, 148) = RKI( NCELL, 56 ) \n! Reaction Label R054 \n RKI( NCELL, 149) = RKI( NCELL, 56 ) \n! Reaction Label R055 \n RKI( NCELL, 150) = RKI( NCELL, 70 ) \n! Reaction Label R056 \n RKI( NCELL, 151) = RKI( NCELL, 70 ) \n! Reaction Label R057 \n RKI( NCELL, 152) = RKI( NCELL, 70 ) \n! Reaction Label R058 \n RKI( NCELL, 153) = RKI( NCELL, 70 ) \n! Reaction Label R059 \n RKI( NCELL, 154) = RKI( NCELL, 52 ) \n! Reaction Label R060 \n RKI( NCELL, 155) = RKI( NCELL, 53 ) \n! Reaction Label R061 \n RKI( NCELL, 156) = RKI( NCELL, 54 ) \n! Reaction Label R062 \n RKI( NCELL, 157) = RKI( NCELL, 55 ) \n! Reaction Label R063 \n RKI( NCELL, 158) = RKI( NCELL, 56 ) \n! Reaction Label R064 \n RKI( NCELL, 159) = RKI( NCELL, 56 ) \n! Reaction Label R065 \n RKI( NCELL, 160) = RKI( NCELL, 70 ) \n! Reaction Label R066 \n RKI( NCELL, 161) = RKI( NCELL, 70 ) \n! Reaction Label R067 \n RKI( NCELL, 162) = RKI( NCELL, 70 ) \n! Reaction Label R068 \n RKI( NCELL, 163) = RKI( NCELL, 70 ) \n! Reaction Label R069 \n RKI( NCELL, 164) = RKI( NCELL, 52 ) \n! Reaction Label R070 \n RKI( NCELL, 165) = RKI( NCELL, 53 ) \n! Reaction Label R071 \n RKI( NCELL, 166) = RKI( NCELL, 54 ) \n! Reaction Label R072 \n RKI( NCELL, 167) = RKI( NCELL, 55 ) \n! Reaction Label R073 \n RKI( NCELL, 168) = RKI( NCELL, 56 ) \n! Reaction Label R074 \n RKI( NCELL, 169) = RKI( NCELL, 56 ) \n! Reaction Label R075 \n RKI( NCELL, 170) = RKI( NCELL, 70 ) \n! Reaction Label R076 \n RKI( NCELL, 171) = RKI( NCELL, 70 ) \n! Reaction Label R077 \n RKI( NCELL, 172) = RKI( NCELL, 70 ) \n! Reaction Label R078 \n RKI( NCELL, 173) = RKI( NCELL, 70 ) \n! Reaction Label R079 \n RKI( NCELL, 174) = RKI( NCELL, 52 ) \n! Reaction Label R080 \n RKI( NCELL, 175) = RKI( NCELL, 53 ) \n! Reaction Label R081 \n RKI( NCELL, 176) = RKI( NCELL, 54 ) \n! Reaction Label R082 \n RKI( NCELL, 177) = RKI( NCELL, 55 ) \n! Reaction Label R083 \n RKI( NCELL, 178) = RKI( NCELL, 56 ) \n! Reaction Label R084 \n RKI( NCELL, 179) = RKI( NCELL, 56 ) \n! Reaction Label R085 \n RKI( NCELL, 180) = RKI( NCELL, 70 ) \n! Reaction Label R086 \n RKI( NCELL, 181) = RKI( NCELL, 70 ) \n! Reaction Label R087 \n RKI( NCELL, 182) = RKI( NCELL, 70 ) \n! Reaction Label R088 \n RKI( NCELL, 183) = RKI( NCELL, 70 ) \n! Reaction Label R089 \n RKI( NCELL, 184) = RKI( NCELL, 52 ) \n! Reaction Label R090 \n RKI( NCELL, 185) = RKI( NCELL, 53 ) \n! Reaction Label R091 \n RKI( NCELL, 186) = RKI( NCELL, 54 ) \n! Reaction Label R092 \n RKI( NCELL, 187) = RKI( NCELL, 55 ) \n! Reaction Label R093 \n RKI( NCELL, 188) = RKI( NCELL, 56 ) \n! Reaction Label R094 \n RKI( NCELL, 189) = RKI( NCELL, 56 ) \n! Reaction Label R095 \n RKI( NCELL, 190) = RKI( NCELL, 70 ) \n! Reaction Label R096 \n RKI( NCELL, 191) = RKI( NCELL, 70 ) \n! Reaction Label R097 \n RKI( NCELL, 192) = RKI( NCELL, 70 ) \n! Reaction Label R098 \n RKI( NCELL, 193) = RKI( NCELL, 70 ) \n! Reaction Label R099 \n RKI( NCELL, 194) = RKI( NCELL, 52 ) \n! Reaction Label R100 \n RKI( NCELL, 195) = RKI( NCELL, 53 ) \n! Reaction Label R101 \n RKI( NCELL, 196) = RKI( NCELL, 54 ) \n! Reaction Label R102 \n RKI( NCELL, 197) = RKI( NCELL, 55 ) \n! Reaction Label R103 \n RKI( NCELL, 198) = RKI( NCELL, 56 ) \n! Reaction Label R104 \n RKI( NCELL, 199) = RKI( NCELL, 56 ) \n! Reaction Label R105 \n RKI( NCELL, 200) = RKI( NCELL, 70 ) \n! Reaction Label R106 \n RKI( NCELL, 201) = RKI( NCELL, 70 ) \n! Reaction Label R107 \n RKI( NCELL, 202) = RKI( NCELL, 70 ) \n! Reaction Label R108 \n RKI( NCELL, 203) = RKI( NCELL, 70 ) \n! Reaction Label BP03 \n RKI( NCELL, 206) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.4000D-12, 1.3500D+02 )\n! Reaction Label BP07 \n RKI( NCELL, 207) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.0000D-12, -2.4310D+03 )\n! Reaction Label BP08 \n RKI( NCELL, 208) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.4000D-12, 3.6500D+02 )\n! Reaction Label BP10 \n RKI( NCELL, 210) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.4000D-12, -1.8600D+03 )\n! Reaction Label BP11 \n RKI( NCELL, 211) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.1000D-12, 4.0500D+02 )\n! Reaction Label BP13 \n RKI( NCELL, 213) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.4000D-12, -1.6010D+03 )\n! Reaction Label BP14 \n RKI( NCELL, 214) = CFACT * ARRHENUIS_T04( INV_TEMP, TEMPOT300, & \n & 4.5600D-14, 4.2900D+02, 3.6500D+00 )\n! Reaction Label BP16 \n RKI( NCELL, 216) = CFACT * ARRHENUIS_T04( INV_TEMP, TEMPOT300, & \n & 1.3000D-12, -2.5000D+01, 2.0000D+00 )\n! Reaction Label BP18 \n RKI( NCELL, 218) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.8500D-12, -3.4500D+02 )\n! Reaction Label BP19 \n RKI( NCELL, 219) = 4.5000D-13 * CFACT \n! Reaction Label BP20 \n RKI( NCELL, 220) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.2000D-14, 8.5500D+02 )\n! Reaction Label BP21 \n RKI( NCELL, 221) = 1.2000D-12 * CFACT \n! Reaction Label BP22 \n RKI( NCELL, 222) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.8000D-12, 2.0000D+02 )\n! Reaction Label BP24 \n RKI( NCELL, 224) = 2.5000D-11 * CFACT \n! Reaction Label BP26 \n RKI( NCELL, 226) = 5.6000D-11 * CFACT \n! Reaction Label BP28 \n RKI( NCELL, 228) = 1.4100D-10 * CFACT \n! Reaction Label BP32 \n RKI( NCELL, 232) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.1000D-12, 3.4220D+02 )\n! Reaction Label BP33 \n RKI( NCELL, 233) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.8000D-12, -2.3900D+03 )\n! Reaction Label BP35 \n RKI( NCELL, 235) = 1.5000D-11 * CFACT \n! Reaction Label BP36 \n RKI( NCELL, 236) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.4000D-12, -1.8950D+03 )\n! Reaction Label BP38 \n RKI( NCELL, 238) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.7000D-12, 9.5000D+02 )\n! Reaction Label BP39 \n RKI( NCELL, 239) = 1.4000D-11 * CFACT \n! Reaction Label BP40 \n RKI( NCELL, 240) = 3.5000D-12 * CFACT \n! Reaction Label BP43 \n RKI( NCELL, 243) = 1.2000D-11 * CFACT \n! Reaction Label BP45 \n RKI( NCELL, 245) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.3400D-12, -1.8600D+03 )\n! Reaction Label BP46 \n RKI( NCELL, 246) = 7.4000D-11 * CFACT \n! Reaction Label BP47 \n RKI( NCELL, 247) = 9.6600D-18 * CFACT \n! Reaction Label BP49 \n RKI( NCELL, 249) = 7.4000D-11 * CFACT \n! Reaction Label BP50 \n RKI( NCELL, 250) = 9.6600D-18 * CFACT \n! Reaction Label BP52 \n RKI( NCELL, 252) = 9.3500D-11 * CFACT \n! Reaction Label BP53 \n RKI( NCELL, 253) = 1.4300D-17 * CFACT \n! Reaction Label BP54 \n RKI( NCELL, 254) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.0000D-12, 3.8000D+02 )\n! Reaction Label BP55 \n RKI( NCELL, 255) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.4000D-15, -2.1000D+03 )\n! Reaction Label BP56 \n RKI( NCELL, 256) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.5000D-12, -1.8150D+03 )\n! Reaction Label BP57 \n RKI( NCELL, 257) = 6.3400D-12 * CFACT \n! Reaction Label BP59 \n RKI( NCELL, 259) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.6000D-12, 6.1000D+02 )\n! Reaction Label BP60 \n RKI( NCELL, 260) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.5000D-16, -1.5200D+03 )\n! Reaction Label BP62 \n RKI( NCELL, 261) = 4.3200D-12 * CFACT \n! Reaction Label BP64 \n RKI( NCELL, 263) = 6.1900D-11 * CFACT \n! Reaction Label BP65 \n RKI( NCELL, 264) = 4.1800D-18 * CFACT \n! Reaction Label BP66 \n RKI( NCELL, 265) = 1.0000D-13 * CFACT \n! Reaction Label BP68 \n RKI( NCELL, 267) = 1.5500D-11 * CFACT \n! Reaction Label BP70 \n RKI( NCELL, 269) = 7.2000D-12 * CFACT \n! Reaction Label BP72 \n RKI( NCELL, 271) = RKI( NCELL, 208 ) \n! Reaction Label BP74 \n RKI( NCELL, 273) = RKI( NCELL, 210 ) \n! Reaction Label BP75 \n RKI( NCELL, 274) = 1.9900D-11 * CFACT \n! Reaction Label BP76 \n RKI( NCELL, 275) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.4000D-15, -2.5280D+03 )\n! Reaction Label BP77 \n RKI( NCELL, 276) = 1.1800D-15 * CFACT \n! Reaction Label BP78 \n RKI( NCELL, 277) = 2.3700D-12 * CFACT \n! Reaction Label BP80 \n RKI( NCELL, 279) = 5.2800D-12 * CFACT \n! Reaction Label BP82 \n RKI( NCELL, 281) = 6.4200D-12 * CFACT \n! Reaction Label BP84 \n RKI( NCELL, 283) = RKI( NCELL, 76 ) \n! Reaction Label BP85 \n RKI( NCELL, 284) = RKI( NCELL, 73 ) \n! Reaction Label BP86 \n RKI( NCELL, 285) = RKI( NCELL, 67 ) \n! Reaction Label P001 \n RKI( NCELL, 286) = RKI( NCELL, 52 ) \n! Reaction Label P002 \n RKI( NCELL, 287) = RKI( NCELL, 53 ) \n! Reaction Label P003 \n RKI( NCELL, 288) = RKI( NCELL, 54 ) \n! Reaction Label P004 \n RKI( NCELL, 289) = RKI( NCELL, 55 ) \n! Reaction Label P005 \n RKI( NCELL, 290) = RKI( NCELL, 56 ) \n! Reaction Label P006 \n RKI( NCELL, 291) = RKI( NCELL, 56 ) \n! Reaction Label P007 \n RKI( NCELL, 292) = RKI( NCELL, 70 ) \n! Reaction Label P008 \n RKI( NCELL, 293) = RKI( NCELL, 70 ) \n! Reaction Label P009 \n RKI( NCELL, 294) = RKI( NCELL, 70 ) \n! Reaction Label P010 \n RKI( NCELL, 295) = RKI( NCELL, 70 ) \n! Reaction Label P011 \n RKI( NCELL, 296) = RKI( NCELL, 52 ) \n! Reaction Label P012 \n RKI( NCELL, 297) = RKI( NCELL, 53 ) \n! Reaction Label P013 \n RKI( NCELL, 298) = RKI( NCELL, 54 ) \n! Reaction Label P014 \n RKI( NCELL, 299) = RKI( NCELL, 55 ) \n! Reaction Label P015 \n RKI( NCELL, 300) = RKI( NCELL, 56 ) \n! Reaction Label P016 \n RKI( NCELL, 301) = RKI( NCELL, 56 ) \n! Reaction Label P017 \n RKI( NCELL, 302) = RKI( NCELL, 70 ) \n! Reaction Label P018 \n RKI( NCELL, 303) = RKI( NCELL, 70 ) \n! Reaction Label P019 \n RKI( NCELL, 304) = RKI( NCELL, 70 ) \n! Reaction Label P020 \n RKI( NCELL, 305) = RKI( NCELL, 70 ) \n! Reaction Label P021 \n RKI( NCELL, 306) = RKI( NCELL, 52 ) \n! Reaction Label P022 \n RKI( NCELL, 307) = RKI( NCELL, 53 ) \n! Reaction Label P023 \n RKI( NCELL, 308) = RKI( NCELL, 54 ) \n! Reaction Label P024 \n RKI( NCELL, 309) = RKI( NCELL, 55 ) \n! Reaction Label P025 \n RKI( NCELL, 310) = RKI( NCELL, 56 ) \n! Reaction Label P026 \n RKI( NCELL, 311) = RKI( NCELL, 56 ) \n! Reaction Label P027 \n RKI( NCELL, 312) = RKI( NCELL, 70 ) \n! Reaction Label P028 \n RKI( NCELL, 313) = RKI( NCELL, 70 ) \n! Reaction Label P029 \n RKI( NCELL, 314) = RKI( NCELL, 70 ) \n! Reaction Label P030 \n RKI( NCELL, 315) = RKI( NCELL, 70 ) \n! Reaction Label P031 \n RKI( NCELL, 316) = RKI( NCELL, 52 ) \n! Reaction Label P032 \n RKI( NCELL, 317) = RKI( NCELL, 53 ) \n! Reaction Label P033 \n RKI( NCELL, 318) = RKI( NCELL, 54 ) \n! Reaction Label P034 \n RKI( NCELL, 319) = RKI( NCELL, 55 ) \n! Reaction Label P035 \n RKI( NCELL, 320) = RKI( NCELL, 56 ) \n! Reaction Label P036 \n RKI( NCELL, 321) = RKI( NCELL, 56 ) \n! Reaction Label P037 \n RKI( NCELL, 322) = RKI( NCELL, 70 ) \n! Reaction Label P038 \n RKI( NCELL, 323) = RKI( NCELL, 70 ) \n! Reaction Label P039 \n RKI( NCELL, 324) = RKI( NCELL, 70 ) \n! Reaction Label P040 \n RKI( NCELL, 325) = RKI( NCELL, 70 ) \n! Reaction Label P041 \n RKI( NCELL, 326) = RKI( NCELL, 52 ) \n! Reaction Label P042 \n RKI( NCELL, 327) = RKI( NCELL, 53 ) \n! Reaction Label P043 \n RKI( NCELL, 328) = RKI( NCELL, 54 ) \n! Reaction Label P044 \n RKI( NCELL, 329) = RKI( NCELL, 55 ) \n! Reaction Label P045 \n RKI( NCELL, 330) = RKI( NCELL, 56 ) \n! Reaction Label P046 \n RKI( NCELL, 331) = RKI( NCELL, 56 ) \n! Reaction Label P047 \n RKI( NCELL, 332) = RKI( NCELL, 70 ) \n! Reaction Label P048 \n RKI( NCELL, 333) = RKI( NCELL, 70 ) \n! Reaction Label P049 \n RKI( NCELL, 334) = RKI( NCELL, 70 ) \n! Reaction Label P050 \n RKI( NCELL, 335) = RKI( NCELL, 70 ) \n! Reaction Label P051 \n RKI( NCELL, 336) = RKI( NCELL, 52 ) \n! Reaction Label P052 \n RKI( NCELL, 337) = RKI( NCELL, 53 ) \n! Reaction Label P053 \n RKI( NCELL, 338) = RKI( NCELL, 54 ) \n! Reaction Label P054 \n RKI( NCELL, 339) = RKI( NCELL, 55 ) \n! Reaction Label P055 \n RKI( NCELL, 340) = RKI( NCELL, 56 ) \n! Reaction Label P056 \n RKI( NCELL, 341) = RKI( NCELL, 56 ) \n! Reaction Label P057 \n RKI( NCELL, 342) = RKI( NCELL, 70 ) \n! Reaction Label P058 \n RKI( NCELL, 343) = RKI( NCELL, 70 ) \n! Reaction Label P059 \n RKI( NCELL, 344) = RKI( NCELL, 70 ) \n! Reaction Label P060 \n RKI( NCELL, 345) = RKI( NCELL, 70 ) \n! Reaction Label P061 \n RKI( NCELL, 346) = RKI( NCELL, 52 ) \n! Reaction Label P062 \n RKI( NCELL, 347) = RKI( NCELL, 53 ) \n! Reaction Label P063 \n RKI( NCELL, 348) = RKI( NCELL, 54 ) \n! Reaction Label P064 \n RKI( NCELL, 349) = RKI( NCELL, 55 ) \n! Reaction Label P065 \n RKI( NCELL, 350) = RKI( NCELL, 56 ) \n! Reaction Label P066 \n RKI( NCELL, 351) = RKI( NCELL, 56 ) \n! Reaction Label P067 \n RKI( NCELL, 352) = RKI( NCELL, 70 ) \n! Reaction Label P068 \n RKI( NCELL, 353) = RKI( NCELL, 70 ) \n! Reaction Label P069 \n RKI( NCELL, 354) = RKI( NCELL, 70 ) \n! Reaction Label P070 \n RKI( NCELL, 355) = RKI( NCELL, 70 ) \n! Reaction Label P071 \n RKI( NCELL, 356) = RKI( NCELL, 52 ) \n! Reaction Label P072 \n RKI( NCELL, 357) = RKI( NCELL, 53 ) \n! Reaction Label P073 \n RKI( NCELL, 358) = RKI( NCELL, 54 ) \n! Reaction Label P074 \n RKI( NCELL, 359) = RKI( NCELL, 55 ) \n! Reaction Label P075 \n RKI( NCELL, 360) = RKI( NCELL, 56 ) \n! Reaction Label P076 \n RKI( NCELL, 361) = RKI( NCELL, 56 ) \n! Reaction Label P077 \n RKI( NCELL, 362) = RKI( NCELL, 70 ) \n! Reaction Label P078 \n RKI( NCELL, 363) = RKI( NCELL, 70 ) \n! Reaction Label P079 \n RKI( NCELL, 364) = RKI( NCELL, 70 ) \n! Reaction Label P080 \n RKI( NCELL, 365) = RKI( NCELL, 70 ) \n! Reaction Label P081 \n RKI( NCELL, 366) = RKI( NCELL, 52 ) \n! Reaction Label P082 \n RKI( NCELL, 367) = RKI( NCELL, 53 ) \n! Reaction Label P083 \n RKI( NCELL, 368) = RKI( NCELL, 54 ) \n! Reaction Label P084 \n RKI( NCELL, 369) = RKI( NCELL, 55 ) \n! Reaction Label P085 \n RKI( NCELL, 370) = RKI( NCELL, 56 ) \n! Reaction Label P086 \n RKI( NCELL, 371) = RKI( NCELL, 56 ) \n! Reaction Label P087 \n RKI( NCELL, 372) = RKI( NCELL, 70 ) \n! Reaction Label P088 \n RKI( NCELL, 373) = RKI( NCELL, 70 ) \n! Reaction Label P089 \n RKI( NCELL, 374) = RKI( NCELL, 70 ) \n! Reaction Label P090 \n RKI( NCELL, 375) = RKI( NCELL, 70 ) \n! Reaction Label P091 \n RKI( NCELL, 376) = RKI( NCELL, 52 ) \n! Reaction Label P092 \n RKI( NCELL, 377) = RKI( NCELL, 53 ) \n! Reaction Label P093 \n RKI( NCELL, 378) = RKI( NCELL, 54 ) \n! Reaction Label P094 \n RKI( NCELL, 379) = RKI( NCELL, 55 ) \n! Reaction Label P095 \n RKI( NCELL, 380) = RKI( NCELL, 56 ) \n! Reaction Label P096 \n RKI( NCELL, 381) = RKI( NCELL, 56 ) \n! Reaction Label P097 \n RKI( NCELL, 382) = RKI( NCELL, 70 ) \n! Reaction Label P098 \n RKI( NCELL, 383) = RKI( NCELL, 70 ) \n! Reaction Label P099 \n RKI( NCELL, 384) = RKI( NCELL, 70 ) \n! Reaction Label P100 \n RKI( NCELL, 385) = RKI( NCELL, 70 ) \n! Reaction Label P101 \n RKI( NCELL, 386) = RKI( NCELL, 52 ) \n! Reaction Label P102 \n RKI( NCELL, 387) = RKI( NCELL, 53 ) \n! Reaction Label P103 \n RKI( NCELL, 388) = RKI( NCELL, 54 ) \n! Reaction Label P104 \n RKI( NCELL, 389) = RKI( NCELL, 55 ) \n! Reaction Label P105 \n RKI( NCELL, 390) = RKI( NCELL, 56 ) \n! Reaction Label P106 \n RKI( NCELL, 391) = RKI( NCELL, 56 ) \n! Reaction Label P107 \n RKI( NCELL, 392) = RKI( NCELL, 70 ) \n! Reaction Label P108 \n RKI( NCELL, 393) = RKI( NCELL, 70 ) \n! Reaction Label P109 \n RKI( NCELL, 394) = RKI( NCELL, 70 ) \n! Reaction Label P110 \n RKI( NCELL, 395) = RKI( NCELL, 70 ) \n! Reaction Label P111 \n RKI( NCELL, 396) = RKI( NCELL, 52 ) \n! Reaction Label P112 \n RKI( NCELL, 397) = RKI( NCELL, 53 ) \n! Reaction Label P113 \n RKI( NCELL, 398) = RKI( NCELL, 54 ) \n! Reaction Label P114 \n RKI( NCELL, 399) = RKI( NCELL, 55 ) \n! Reaction Label P115 \n RKI( NCELL, 400) = RKI( NCELL, 56 ) \n! Reaction Label P116 \n RKI( NCELL, 401) = RKI( NCELL, 56 ) \n! Reaction Label P117 \n RKI( NCELL, 402) = RKI( NCELL, 70 ) \n! Reaction Label P118 \n RKI( NCELL, 403) = RKI( NCELL, 70 ) \n! Reaction Label P119 \n RKI( NCELL, 404) = RKI( NCELL, 70 ) \n! Reaction Label P120 \n RKI( NCELL, 405) = RKI( NCELL, 70 ) \n! Reaction Label P121 \n RKI( NCELL, 406) = RKI( NCELL, 52 ) \n! Reaction Label P122 \n RKI( NCELL, 407) = RKI( NCELL, 53 ) \n! Reaction Label P123 \n RKI( NCELL, 408) = RKI( NCELL, 54 ) \n! Reaction Label P124 \n RKI( NCELL, 409) = RKI( NCELL, 55 ) \n! Reaction Label P125 \n RKI( NCELL, 410) = RKI( NCELL, 56 ) \n! Reaction Label P126 \n RKI( NCELL, 411) = RKI( NCELL, 56 ) \n! Reaction Label P127 \n RKI( NCELL, 412) = RKI( NCELL, 70 ) \n! Reaction Label P128 \n RKI( NCELL, 413) = RKI( NCELL, 70 ) \n! Reaction Label P129 \n RKI( NCELL, 414) = RKI( NCELL, 70 ) \n! Reaction Label P130 \n RKI( NCELL, 415) = RKI( NCELL, 70 ) \n! Reaction Label P131 \n RKI( NCELL, 416) = RKI( NCELL, 52 ) \n! Reaction Label P132 \n RKI( NCELL, 417) = RKI( NCELL, 53 ) \n! Reaction Label P133 \n RKI( NCELL, 418) = RKI( NCELL, 54 ) \n! Reaction Label P134 \n RKI( NCELL, 419) = RKI( NCELL, 55 ) \n! Reaction Label P135 \n RKI( NCELL, 420) = RKI( NCELL, 56 ) \n! Reaction Label P136 \n RKI( NCELL, 421) = RKI( NCELL, 56 ) \n! Reaction Label P137 \n RKI( NCELL, 422) = RKI( NCELL, 70 ) \n! Reaction Label P138 \n RKI( NCELL, 423) = RKI( NCELL, 70 ) \n! Reaction Label P139 \n RKI( NCELL, 424) = RKI( NCELL, 70 ) \n! Reaction Label P140 \n RKI( NCELL, 425) = RKI( NCELL, 70 ) \n! Reaction Label P141 \n RKI( NCELL, 426) = RKI( NCELL, 52 ) \n! Reaction Label P142 \n RKI( NCELL, 427) = RKI( NCELL, 53 ) \n! Reaction Label P143 \n RKI( NCELL, 428) = RKI( NCELL, 54 ) \n! Reaction Label P144 \n RKI( NCELL, 429) = RKI( NCELL, 55 ) \n! Reaction Label P145 \n RKI( NCELL, 430) = RKI( NCELL, 56 ) \n! Reaction Label P146 \n RKI( NCELL, 431) = RKI( NCELL, 56 ) \n! Reaction Label P147 \n RKI( NCELL, 432) = RKI( NCELL, 70 ) \n! Reaction Label P148 \n RKI( NCELL, 433) = RKI( NCELL, 70 ) \n! Reaction Label P149 \n RKI( NCELL, 434) = RKI( NCELL, 70 ) \n! Reaction Label P150 \n RKI( NCELL, 435) = RKI( NCELL, 70 ) \n! Reaction Label P151 \n RKI( NCELL, 436) = RKI( NCELL, 52 ) \n! Reaction Label P152 \n RKI( NCELL, 437) = RKI( NCELL, 53 ) \n! Reaction Label P153 \n RKI( NCELL, 438) = RKI( NCELL, 54 ) \n! Reaction Label P154 \n RKI( NCELL, 439) = RKI( NCELL, 55 ) \n! Reaction Label P155 \n RKI( NCELL, 440) = RKI( NCELL, 56 ) \n! Reaction Label P156 \n RKI( NCELL, 441) = RKI( NCELL, 56 ) \n! Reaction Label P157 \n RKI( NCELL, 442) = RKI( NCELL, 70 ) \n! Reaction Label P158 \n RKI( NCELL, 443) = RKI( NCELL, 70 ) \n! Reaction Label P159 \n RKI( NCELL, 444) = RKI( NCELL, 70 ) \n! Reaction Label P160 \n RKI( NCELL, 445) = RKI( NCELL, 70 ) \n! Reaction Label P161 \n RKI( NCELL, 446) = RKI( NCELL, 52 ) \n! Reaction Label P162 \n RKI( NCELL, 447) = RKI( NCELL, 53 ) \n! Reaction Label P163 \n RKI( NCELL, 448) = RKI( NCELL, 54 ) \n! Reaction Label P164 \n RKI( NCELL, 449) = RKI( NCELL, 55 ) \n! Reaction Label P165 \n RKI( NCELL, 450) = RKI( NCELL, 56 ) \n! Reaction Label P166 \n RKI( NCELL, 451) = RKI( NCELL, 56 ) \n! Reaction Label P167 \n RKI( NCELL, 452) = RKI( NCELL, 70 ) \n! Reaction Label P168 \n RKI( NCELL, 453) = RKI( NCELL, 70 ) \n! Reaction Label P169 \n RKI( NCELL, 454) = RKI( NCELL, 70 ) \n! Reaction Label P170 \n RKI( NCELL, 455) = RKI( NCELL, 70 ) \n! Reaction Label P171 \n RKI( NCELL, 456) = RKI( NCELL, 52 ) \n! Reaction Label P172 \n RKI( NCELL, 457) = RKI( NCELL, 53 ) \n! Reaction Label P173 \n RKI( NCELL, 458) = RKI( NCELL, 54 ) \n! Reaction Label P174 \n RKI( NCELL, 459) = RKI( NCELL, 55 ) \n! Reaction Label P175 \n RKI( NCELL, 460) = RKI( NCELL, 56 ) \n! Reaction Label P176 \n RKI( NCELL, 461) = RKI( NCELL, 56 ) \n! Reaction Label P177 \n RKI( NCELL, 462) = RKI( NCELL, 70 ) \n! Reaction Label P178 \n RKI( NCELL, 463) = RKI( NCELL, 70 ) \n! Reaction Label P179 \n RKI( NCELL, 464) = RKI( NCELL, 70 ) \n! Reaction Label P180 \n RKI( NCELL, 465) = RKI( NCELL, 70 ) \n! Reaction Label P181 \n RKI( NCELL, 466) = RKI( NCELL, 52 ) \n! Reaction Label P182 \n RKI( NCELL, 467) = RKI( NCELL, 53 ) \n! Reaction Label P183 \n RKI( NCELL, 468) = RKI( NCELL, 54 ) \n! Reaction Label P184 \n RKI( NCELL, 469) = RKI( NCELL, 55 ) \n! Reaction Label P185 \n RKI( NCELL, 470) = RKI( NCELL, 56 ) \n! Reaction Label P186 \n RKI( NCELL, 471) = RKI( NCELL, 56 ) \n! Reaction Label P187 \n RKI( NCELL, 472) = RKI( NCELL, 70 ) \n! Reaction Label P188 \n RKI( NCELL, 473) = RKI( NCELL, 70 ) \n! Reaction Label P189 \n RKI( NCELL, 474) = RKI( NCELL, 70 ) \n! Reaction Label P190 \n RKI( NCELL, 475) = RKI( NCELL, 70 ) \n! Reaction Label P181a \n RKI( NCELL, 476) = RKI( NCELL, 52 ) \n! Reaction Label P182a \n RKI( NCELL, 477) = RKI( NCELL, 53 ) \n! Reaction Label P183a \n RKI( NCELL, 478) = RKI( NCELL, 54 ) \n! Reaction Label P184a \n RKI( NCELL, 479) = RKI( NCELL, 55 ) \n! Reaction Label P185a \n RKI( NCELL, 480) = RKI( NCELL, 56 ) \n! Reaction Label P186a \n RKI( NCELL, 481) = RKI( NCELL, 56 ) \n! Reaction Label P187a \n RKI( NCELL, 482) = RKI( NCELL, 70 ) \n! Reaction Label P188a \n RKI( NCELL, 483) = RKI( NCELL, 70 ) \n! Reaction Label P189a \n RKI( NCELL, 484) = RKI( NCELL, 70 ) \n! Reaction Label P190a \n RKI( NCELL, 485) = RKI( NCELL, 70 ) \n! Reaction Label P191 \n RKI( NCELL, 486) = RKI( NCELL, 52 ) \n! Reaction Label P192 \n RKI( NCELL, 487) = RKI( NCELL, 53 ) \n! Reaction Label P193 \n RKI( NCELL, 488) = RKI( NCELL, 54 ) \n! Reaction Label P194 \n RKI( NCELL, 489) = RKI( NCELL, 55 ) \n! Reaction Label P195 \n RKI( NCELL, 490) = RKI( NCELL, 56 ) \n! Reaction Label P196 \n RKI( NCELL, 491) = RKI( NCELL, 56 ) \n! Reaction Label P197 \n RKI( NCELL, 492) = RKI( NCELL, 70 ) \n! Reaction Label P198 \n RKI( NCELL, 493) = RKI( NCELL, 70 ) \n! Reaction Label P199 \n RKI( NCELL, 494) = RKI( NCELL, 70 ) \n! Reaction Label P200 \n RKI( NCELL, 495) = RKI( NCELL, 70 ) \n! Reaction Label P201 \n RKI( NCELL, 496) = RKI( NCELL, 52 ) \n! Reaction Label P202 \n RKI( NCELL, 497) = RKI( NCELL, 53 ) \n! Reaction Label P203 \n RKI( NCELL, 498) = RKI( NCELL, 54 ) \n! Reaction Label P204 \n RKI( NCELL, 499) = RKI( NCELL, 55 ) \n! Reaction Label P205 \n RKI( NCELL, 500) = RKI( NCELL, 56 ) \n! Reaction Label P206 \n RKI( NCELL, 501) = RKI( NCELL, 56 ) \n! Reaction Label P207 \n RKI( NCELL, 502) = RKI( NCELL, 70 ) \n! Reaction Label P208 \n RKI( NCELL, 503) = RKI( NCELL, 70 ) \n! Reaction Label P209 \n RKI( NCELL, 504) = RKI( NCELL, 70 ) \n! Reaction Label P210 \n RKI( NCELL, 505) = RKI( NCELL, 70 ) \n! Reaction Label P211 \n RKI( NCELL, 506) = RKI( NCELL, 52 ) \n! Reaction Label P212 \n RKI( NCELL, 507) = RKI( NCELL, 53 ) \n! Reaction Label P213 \n RKI( NCELL, 508) = RKI( NCELL, 54 ) \n! Reaction Label P214 \n RKI( NCELL, 509) = RKI( NCELL, 55 ) \n! Reaction Label P215 \n RKI( NCELL, 510) = RKI( NCELL, 56 ) \n! Reaction Label P216 \n RKI( NCELL, 511) = RKI( NCELL, 56 ) \n! Reaction Label P217 \n RKI( NCELL, 512) = RKI( NCELL, 70 ) \n! Reaction Label P218 \n RKI( NCELL, 513) = RKI( NCELL, 70 ) \n! Reaction Label P219 \n RKI( NCELL, 514) = RKI( NCELL, 70 ) \n! Reaction Label P220 \n RKI( NCELL, 515) = RKI( NCELL, 70 ) \n! Reaction Label P221 \n RKI( NCELL, 516) = RKI( NCELL, 52 ) \n! Reaction Label P222 \n RKI( NCELL, 517) = RKI( NCELL, 53 ) \n! Reaction Label P223 \n RKI( NCELL, 518) = RKI( NCELL, 54 ) \n! Reaction Label P224 \n RKI( NCELL, 519) = RKI( NCELL, 55 ) \n! Reaction Label P225 \n RKI( NCELL, 520) = RKI( NCELL, 56 ) \n! Reaction Label P226 \n RKI( NCELL, 521) = RKI( NCELL, 56 ) \n! Reaction Label P227 \n RKI( NCELL, 522) = RKI( NCELL, 70 ) \n! Reaction Label P228 \n RKI( NCELL, 523) = RKI( NCELL, 70 ) \n! Reaction Label P229 \n RKI( NCELL, 524) = RKI( NCELL, 70 ) \n! Reaction Label P230 \n RKI( NCELL, 525) = RKI( NCELL, 70 ) \n! Reaction Label BE01 \n RKI( NCELL, 526) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.8500D-12, -1.6900D+03 )\n! Reaction Label BE02 \n RKI( NCELL, 527) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 1.0000D-28, 0.0000D+00, -4.5000D+00, & \n & 8.8000D-12, 0.0000D+00, -8.5000D-01, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label BE03 \n RKI( NCELL, 528) = CFACT * ARRHENUIS_T03( INV_TEMP, 9.1400D-15, -2.5800D+03 )\n! Reaction Label BE04 \n RKI( NCELL, 529) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.3000D-12, -2.8800D+03 )\n! Reaction Label BE05 \n RKI( NCELL, 530) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.0700D-11, -8.0000D+02 )\n! Reaction Label BT01 \n RKI( NCELL, 531) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.8500D-12, 5.0400D+02 )\n! Reaction Label BT02 \n RKI( NCELL, 532) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.5100D-15, -1.8780D+03 )\n! Reaction Label BT03 \n RKI( NCELL, 533) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.5900D-13, -1.1560D+03 )\n! Reaction Label BT04 \n RKI( NCELL, 534) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.0200D-11, -2.8000D+02 )\n! Reaction Label BT05 \n RKI( NCELL, 535) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.4800D-11, 4.4800D+02 )\n! Reaction Label BT06 \n RKI( NCELL, 536) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.3400D-14, -2.2830D+03 )\n! Reaction Label BT07 \n RKI( NCELL, 537) = 1.0000D-13 * CFACT \n! Reaction Label BT08 \n RKI( NCELL, 538) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.2600D-11, -4.0000D+01 )\n! Reaction Label BE06 \n RKI( NCELL, 539) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.5400D-11, 4.1000D+02 )\n! Reaction Label BE07 \n RKI( NCELL, 540) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.8600D-15, -1.9120D+03 )\n! Reaction Label BE08 \n RKI( NCELL, 541) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.0300D-12, -4.4800D+02 )\n! Reaction Label BE09 \n RKI( NCELL, 542) = 3.5000D-11 * CFACT \n! Reaction Label IS88 \n RKI( NCELL, 543) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.9000D-11, 3.9000D+02 )\n! Reaction Label IS89 \n RKI( NCELL, 544) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.7500D-12, 2.0000D+02 )\n! Reaction Label IS90 \n RKI( NCELL, 546) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.7800D-11, -4.0000D+02 )\n! Reaction Label IS91 \n RKI( NCELL, 547) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.0600D-13, 1.3000D+03 )\n! Reaction Label IS96 \n RKI( NCELL, 548) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.6000D-12, 3.8000D+02 )\n! Reaction Label IS112 \n RKI( NCELL, 549) = 2.0000D-13 * CFACT \n! Reaction Label IS113 \n RKI( NCELL, 550) = 3.5000D-14 * CFACT \n! Reaction Label IS114 \n RKI( NCELL, 551) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.4000D-13, 1.0700D+03 )\n! Reaction Label BT09 \n RKI( NCELL, 552) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.2100D-11, 4.3600D+02 )\n! Reaction Label BT10 \n RKI( NCELL, 553) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.0000D-16, -5.3000D+02 )\n! Reaction Label BT11 \n RKI( NCELL, 554) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.1900D-12, 4.9000D+02 )\n! Reaction Label BT12 \n RKI( NCELL, 555) = 3.2000D-11 * CFACT \n! Reaction Label BE10 \n RKI( NCELL, 556) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 5.5000D-30, 0.0000D+00, 0.0000D+00, & \n & 8.3000D-13, 0.0000D+00, -2.0000D+00, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label BE11 \n RKI( NCELL, 557) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.0000D-14, -4.1000D+03 )\n! Reaction Label BE12 \n RKI( NCELL, 558) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.3300D-12, -1.9300D+02 )\n! Reaction Label BT13 \n RKI( NCELL, 559) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.8100D-12, 3.3800D+02 )\n! Reaction Label BT14 \n RKI( NCELL, 560) = 2.3100D-11 * CFACT \n! Reaction Label BT15 \n RKI( NCELL, 561) = 1.3600D-11 * CFACT \n! Reaction Label BT16 \n RKI( NCELL, 562) = 1.4300D-11 * CFACT \n! Reaction Label BT17 \n RKI( NCELL, 563) = 3.2500D-11 * CFACT \n! Reaction Label BT18 \n RKI( NCELL, 564) = CFACT * ARRHENUIS_T04( INV_TEMP, TEMPOT300, & \n & 5.4900D-13, 5.3000D+02, 2.0000D+00 )\n! Reaction Label BL01 \n RKI( NCELL, 565) = CFACT * ARRHENUIS_T04( INV_TEMP, TEMPOT300, & \n & 1.3400D-12, -4.9900D+02, 2.0000D+00 )\n! Reaction Label BL02 \n RKI( NCELL, 566) = CFACT * ARRHENUIS_T04( INV_TEMP, TEMPOT300, & \n & 1.4900D-12, -8.7000D+01, 2.0000D+00 )\n! Reaction Label BL03 \n RKI( NCELL, 567) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.5100D-12, 1.2600D+02 )\n! Reaction Label BL04 \n RKI( NCELL, 568) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.7500D-12, 4.4000D+01 )\n! Reaction Label BL05 \n RKI( NCELL, 569) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.7400D+02 )\n! Reaction Label AALK \n RKI( NCELL, 570) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.7400D+02 )\n! Reaction Label BL06 \n RKI( NCELL, 571) = CFACT * ARRHENUIS_T03( INV_TEMP, 6.7200D-12, 5.0100D+02 )\n! Reaction Label BL07 \n RKI( NCELL, 572) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.1900D-15, -1.7010D+03 )\n! Reaction Label BL08 \n RKI( NCELL, 573) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.3700D-13, -1.0470D+03 )\n! Reaction Label BL09 \n RKI( NCELL, 574) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.6100D-11, -3.2600D+02 )\n! Reaction Label BL10 \n RKI( NCELL, 575) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.2600D-11, 4.8800D+02 )\n! Reaction Label BL11 \n RKI( NCELL, 576) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.5900D-15, -1.2550D+03 )\n! Reaction Label BL12 \n RKI( NCELL, 577) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.3100D-13, 3.8200D+02 )\n! Reaction Label BL13 \n RKI( NCELL, 578) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.4300D-11, 1.1100D+02 )\n! Reaction Label BL14 \n RKI( NCELL, 579) = 7.8400D-12 * CFACT \n! Reaction Label BL15 \n RKI( NCELL, 580) = 3.0900D-11 * CFACT \n! Reaction Label BL15b \n RKI( NCELL, 581) = 3.0900D-11 * CFACT \n! Reaction Label BL16 \n RKI( NCELL, 582) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.2700D-11, 4.3500D+02 )\n! Reaction Label BL17 \n RKI( NCELL, 583) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.2800D-16, -7.8500D+02 )\n! Reaction Label BL18 \n RKI( NCELL, 584) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.3300D-12, 4.9000D+02 )\n! Reaction Label BL19 \n RKI( NCELL, 585) = 4.0200D-11 * CFACT \n! Reaction Label BT19 \n RKI( NCELL, 586) = RKI( NCELL, 582 ) \n! Reaction Label BT20 \n RKI( NCELL, 587) = RKI( NCELL, 583 ) \n! Reaction Label BT21 \n RKI( NCELL, 588) = RKI( NCELL, 584 ) \n! Reaction Label BT22 \n RKI( NCELL, 589) = RKI( NCELL, 585 ) \n! Reaction Label CI02 \n RKI( NCELL, 591) = CFACT_SQU * POWER_T02( TEMPOT300, 7.6000D-32, -1.8000D+00 )\n! Reaction Label CI04 \n RKI( NCELL, 593) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 1.3000D-30, 0.0000D+00, -2.0000D+00, & \n & 1.0000D-10, 0.0000D+00, -1.0000D+00, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label CI05 \n RKI( NCELL, 594) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 1.8000D-31, 0.0000D+00, -2.0000D+00, & \n & 1.0000D-10, 0.0000D+00, -1.0000D+00, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label CI08 \n RKI( NCELL, 597) = CFACT * POWER_T02( TEMPOT300, 3.4400D-11, -5.6000D-01 )\n! Reaction Label CI09 \n RKI( NCELL, 598) = CFACT * POWER_T02( TEMPOT300, 9.4100D-12, 2.1000D+00 )\n! Reaction Label CI10 \n RKI( NCELL, 599) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.8000D-11, -2.5000D+02 )\n! Reaction Label CI11 \n RKI( NCELL, 600) = 2.4000D-11 * CFACT \n! Reaction Label CI12 \n RKI( NCELL, 601) = CFACT * ARRHENUIS_T03( INV_TEMP, 6.2000D-12, 2.9500D+02 )\n! Reaction Label CI13 \n RKI( NCELL, 602) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 1.8000D-31, 0.0000D+00, -3.4000D+00, & \n & 1.5000D-11, 0.0000D+00, -1.9000D+00, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label CI16 \n RKI( NCELL, 605) = SFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 4.4800D-05, -1.2530D+04, -1.0000D+00, & \n & 3.7100D+15, -1.2530D+04, 3.5000D+00, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label CI17 \n RKI( NCELL, 606) = CFACT * ARRHENUIS_T03( INV_TEMP, 6.2000D-12, 1.4500D+02 )\n! Reaction Label CI18 \n RKI( NCELL, 607) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.2000D-12, 3.4000D+02 )\n! Reaction Label CI20 \n RKI( NCELL, 609) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.2500D-11, -1.9600D+03 )\n! Reaction Label CI21 \n RKI( NCELL, 610) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.7000D-12, -2.3000D+02 )\n! Reaction Label CI22 \n RKI( NCELL, 611) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.9000D-11, -2.3100D+03 )\n! Reaction Label CP01 \n RKI( NCELL, 612) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.1000D-11, -3.0000D+01 )\n! Reaction Label CP02 \n RKI( NCELL, 613) = 8.0000D-11 * CFACT \n! Reaction Label CP03 \n RKI( NCELL, 614) = 5.5000D-11 * CFACT \n! Reaction Label CP04 \n RKI( NCELL, 615) = 1.2300D-10 * CFACT \n! Reaction Label CP05 \n RKI( NCELL, 616) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.7000D-11, -1.0000D+03 )\n! Reaction Label CP06 \n RKI( NCELL, 617) = 3.6000D-11 * CFACT \n! Reaction Label CP07 \n RKI( NCELL, 618) = 1.9200D-10 * CFACT \n! Reaction Label CP08 \n RKI( NCELL, 619) = 2.0000D-10 * CFACT \n! Reaction Label CP09 \n RKI( NCELL, 620) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.1000D-11, -3.0000D+01 )\n! Reaction Label CP10 \n RKI( NCELL, 621) = 8.0000D-11 * CFACT \n! Reaction Label CP11 \n RKI( NCELL, 622) = 6.2000D-11 * CFACT \n! Reaction Label CP12 \n RKI( NCELL, 623) = 8.0000D-11 * CFACT \n! Reaction Label CP13 \n RKI( NCELL, 624) = 1.6600D-10 * CFACT \n! Reaction Label CP14 \n RKI( NCELL, 625) = 3.0000D-10 * CFACT \n! Reaction Label CP15 \n RKI( NCELL, 626) = 4.2900D-10 * CFACT \n! Reaction Label TP01 \n RKI( NCELL, 627) = 2.9400D-10 * CFACT \n! Reaction Label CP16 \n RKI( NCELL, 628) = 3.8500D-10 * CFACT \n! Reaction Label CP17 \n RKI( NCELL, 629) = 2.3200D-10 * CFACT \n! Reaction Label CP18 \n RKI( NCELL, 630) = 4.1200D-10 * CFACT \n! Reaction Label CP20 \n RKI( NCELL, 632) = 3.1000D-12 * CFACT \n! Reaction Label CP21 \n RKI( NCELL, 633) = 1.2900D-11 * CFACT \n! Reaction Label CP29 \n RKI( NCELL, 635) = RKI( NCELL, 52 ) \n! Reaction Label CP30 \n RKI( NCELL, 636) = RKI( NCELL, 53 ) \n! Reaction Label CP31 \n RKI( NCELL, 637) = RKI( NCELL, 54 ) \n! Reaction Label CP32 \n RKI( NCELL, 638) = RKI( NCELL, 55 ) \n! Reaction Label CP33 \n RKI( NCELL, 639) = RKI( NCELL, 56 ) \n! Reaction Label CP34 \n RKI( NCELL, 640) = RKI( NCELL, 56 ) \n! Reaction Label CP35 \n RKI( NCELL, 641) = RKI( NCELL, 70 ) \n! Reaction Label CP36 \n RKI( NCELL, 642) = RKI( NCELL, 70 ) \n! Reaction Label CP37 \n RKI( NCELL, 643) = RKI( NCELL, 70 ) \n! Reaction Label CP38 \n RKI( NCELL, 644) = RKI( NCELL, 70 ) \n! Reaction Label CP39 \n RKI( NCELL, 645) = RKI( NCELL, 52 ) \n! Reaction Label CP40 \n RKI( NCELL, 646) = RKI( NCELL, 53 ) \n! Reaction Label CP41 \n RKI( NCELL, 647) = RKI( NCELL, 54 ) \n! Reaction Label CP42 \n RKI( NCELL, 648) = RKI( NCELL, 55 ) \n! Reaction Label CP43 \n RKI( NCELL, 649) = RKI( NCELL, 56 ) \n! Reaction Label CP44 \n RKI( NCELL, 650) = RKI( NCELL, 56 ) \n! Reaction Label CP45 \n RKI( NCELL, 651) = RKI( NCELL, 70 ) \n! Reaction Label CP46 \n RKI( NCELL, 652) = RKI( NCELL, 70 ) \n! Reaction Label CP47 \n RKI( NCELL, 653) = RKI( NCELL, 70 ) \n! Reaction Label CP48 \n RKI( NCELL, 654) = RKI( NCELL, 70 ) \n! Reaction Label CP49 \n RKI( NCELL, 655) = RKI( NCELL, 52 ) \n! Reaction Label CP50 \n RKI( NCELL, 656) = RKI( NCELL, 53 ) \n! Reaction Label CP51 \n RKI( NCELL, 657) = RKI( NCELL, 54 ) \n! Reaction Label CP52 \n RKI( NCELL, 658) = RKI( NCELL, 55 ) \n! Reaction Label CP53 \n RKI( NCELL, 659) = RKI( NCELL, 56 ) \n! Reaction Label CP54 \n RKI( NCELL, 660) = RKI( NCELL, 56 ) \n! Reaction Label CP55 \n RKI( NCELL, 661) = RKI( NCELL, 70 ) \n! Reaction Label CP56 \n RKI( NCELL, 662) = RKI( NCELL, 70 ) \n! Reaction Label CP57 \n RKI( NCELL, 663) = RKI( NCELL, 70 ) \n! Reaction Label CP58 \n RKI( NCELL, 664) = RKI( NCELL, 70 ) \n! Reaction Label CE01 \n RKI( NCELL, 665) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.3000D-12, -1.2800D+03 )\n! Reaction Label CE02 \n RKI( NCELL, 666) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 1.6000D-29, 0.0000D+00, -3.3000D+00, & \n & 3.1000D-10, 0.0000D+00, -1.0000D+00, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label TE01 \n RKI( NCELL, 667) = 2.6700D-10 * CFACT \n! Reaction Label TE02 \n RKI( NCELL, 668) = 4.9000D-10 * CFACT \n! Reaction Label CE03 \n RKI( NCELL, 669) = 4.8000D-10 * CFACT \n! Reaction Label TE03 \n RKI( NCELL, 670) = 5.4600D-10 * CFACT \n! Reaction Label CE04 \n RKI( NCELL, 671) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 5.2000D-30, 0.0000D+00, -2.4000D+00, & \n & 2.2000D-10, 0.0000D+00, 0.0000D+00, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label TE04 \n RKI( NCELL, 672) = 6.2000D-11 * CFACT \n! Reaction Label TE05 \n RKI( NCELL, 673) = 1.3500D-10 * CFACT \n! Reaction Label TE06 \n RKI( NCELL, 674) = 1.4000D-10 * CFACT \n! Reaction Label TE07 \n RKI( NCELL, 675) = 1.4400D-10 * CFACT \n! Reaction Label TE08 \n RKI( NCELL, 676) = 2.4200D-10 * CFACT \n! Reaction Label TE09 \n RKI( NCELL, 677) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.6000D-11, 4.5000D+01 )\n! Reaction Label BC01 \n RKI( NCELL, 678) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.3000D-11, -1.0000D+02 )\n! Reaction Label BC02 \n RKI( NCELL, 679) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.2000D-10, 4.0000D+01 )\n! Reaction Label BC03 \n RKI( NCELL, 680) = 1.8600D-10 * CFACT \n! Reaction Label BC04 \n RKI( NCELL, 681) = 2.6300D-10 * CFACT \n! Reaction Label BC05 \n RKI( NCELL, 682) = 4.2100D-10 * CFACT \n! Reaction Label BC06 \n RKI( NCELL, 683) = 3.9200D-10 * CFACT \n! Reaction Label BC07 \n RKI( NCELL, 684) = 3.7700D-10 * CFACT \n! Reaction Label BC08 \n RKI( NCELL, 685) = 2.1600D-10 * CFACT \n! Reaction Label BC09 \n RKI( NCELL, 686) = 2.6600D-10 * CFACT \n! Reaction Label BC09b \n RKI( NCELL, 687) = 2.6600D-10 * CFACT \n! Reaction Label BC10 \n RKI( NCELL, 688) = 5.4600D-10 * CFACT \n! Reaction Label BC11 \n RKI( NCELL, 689) = RKI( NCELL, 688 ) \n! Reaction Label AE51 \n RKI( NCELL, 690) = RKI( NCELL, 52 ) \n! Reaction Label AE52 \n RKI( NCELL, 691) = RKI( NCELL, 53 ) \n! Reaction Label AE53 \n RKI( NCELL, 692) = RKI( NCELL, 52 ) \n! Reaction Label AE54 \n RKI( NCELL, 693) = RKI( NCELL, 53 ) \n! Reaction Label AE55 \n RKI( NCELL, 694) = RKI( NCELL, 52 ) \n! Reaction Label AE56 \n RKI( NCELL, 695) = RKI( NCELL, 53 ) \n! Reaction Label AE55b \n RKI( NCELL, 696) = RKI( NCELL, 52 ) \n! Reaction Label AE56b \n RKI( NCELL, 697) = RKI( NCELL, 53 ) \n! Reaction Label TR03 \n RKI( NCELL, 700) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.4000D-12, 1.3500D+02 )\n! Reaction Label TR05 \n RKI( NCELL, 701) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.0000D-12, -2.4310D+03 )\n! Reaction Label TR06 \n RKI( NCELL, 702) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.1000D-11, -3.0000D+01 )\n! Reaction Label TR07 \n RKI( NCELL, 703) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.4000D-12, 3.6500D+02 )\n! Reaction Label TR09 \n RKI( NCELL, 705) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.4000D-12, -1.8600D+03 )\n! Reaction Label TR10 \n RKI( NCELL, 706) = 8.0000D-11 * CFACT \n! Reaction Label TR11 \n RKI( NCELL, 707) = 1.9900D-11 * CFACT \n! Reaction Label TR12 \n RKI( NCELL, 708) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.4000D-15, -2.5280D+03 )\n! Reaction Label TR13 \n RKI( NCELL, 709) = 1.1800D-15 * CFACT \n! Reaction Label TR14 \n RKI( NCELL, 710) = 2.3700D-12 * CFACT \n! Reaction Label TR16 \n RKI( NCELL, 712) = 2.9400D-10 * CFACT \n! Reaction Label HET_N02 \n RKI( NCELL, 713) = BLKHET( NCELL, IK_HETERO_NO2 )\n! Reaction Label HET_N2O5IJ \n RKI( NCELL, 714) = BLKHET( NCELL, IK_HETERO_N2O5IJ )\n! Reaction Label HET_N2O5K \n RKI( NCELL, 715) = BLKHET( NCELL, IK_HETERO_N2O5K )\n! Reaction Label HET_H2NO3PIJA \n RKI( NCELL, 716) = BLKHET( NCELL, IK_HETERO_H2NO3PAIJ )\n! Reaction Label HET_H2NO3PKA \n RKI( NCELL, 717) = BLKHET( NCELL, IK_HETERO_H2NO3PAK )\n! Reaction Label HET_H2NO3PIB \n RKI( NCELL, 718) = BLKHET( NCELL, IK_HETERO_H2NO3PBIJ )\n! Reaction Label HET_H2NO3PJB \n RKI( NCELL, 719) = BLKHET( NCELL, IK_HETERO_H2NO3PBIJ )\n! Reaction Label HET_H2NO3PKB \n RKI( NCELL, 720) = BLKHET( NCELL, IK_HETERO_H2NO3PBK )\n! Reaction Label OLIG_XYLENE1 \n RKI( NCELL, 722) = 9.4882D-06 * SFACT \n! Reaction Label OLIG_XYLENE2 \n RKI( NCELL, 723) = 9.4882D-06 * SFACT \n! Reaction Label OLIG_TOLUENE1 \n RKI( NCELL, 724) = 9.4882D-06 * SFACT \n! Reaction Label OLIG_TOLUENE2 \n RKI( NCELL, 725) = 9.4882D-06 * SFACT \n! Reaction Label OLIG_BENZENE1 \n RKI( NCELL, 726) = 9.4882D-06 * SFACT \n! Reaction Label OLIG_BENZENE2 \n RKI( NCELL, 727) = 9.4882D-06 * SFACT \n! Reaction Label OLIG_TERPENE1 \n RKI( NCELL, 728) = 9.4882D-06 * SFACT \n! Reaction Label OLIG_TERPENE2 \n RKI( NCELL, 729) = 9.4882D-06 * SFACT \n! Reaction Label OLIG_ISOPRENE1 \n RKI( NCELL, 730) = 9.4882D-06 * SFACT \n! Reaction Label OLIG_ISOPRENE2 \n RKI( NCELL, 731) = 9.4882D-06 * SFACT \n! Reaction Label OLIG_SESQT1 \n RKI( NCELL, 732) = 9.4882D-06 * SFACT \n! Reaction Label OLIG_PAH1 \n RKI( NCELL, 733) = 9.4882D-06 * SFACT \n! Reaction Label OLIG_PAH2 \n RKI( NCELL, 734) = 9.4882D-06 * SFACT \n! Reaction Label OLIG_ALK1 \n RKI( NCELL, 735) = 9.4882D-06 * SFACT \n! Reaction Label OLIG_ALK2 \n RKI( NCELL, 736) = 9.4882D-06 * SFACT \n! Reaction Label RPOAGEPI \n RKI( NCELL, 737) = 2.5000D-12 * CFACT \n! Reaction Label RPOAGELI \n RKI( NCELL, 738) = BLKHET( NCELL, IK_HETERO_PNCOMLI )\n! Reaction Label RPOAGEPJ \n RKI( NCELL, 739) = 2.5000D-12 * CFACT \n! Reaction Label RPOAGELJ \n RKI( NCELL, 740) = BLKHET( NCELL, IK_HETERO_PNCOMLJ )\n! Reaction Label PCSOA \n RKI( NCELL, 741) = 1.2500D-11 * CFACT \n! Reaction Label POA_AGE1 \n RKI( NCELL, 742) = 4.0000D-11 * CFACT \n! Reaction Label POA_AGE2 \n RKI( NCELL, 743) = 4.0000D-11 * CFACT \n! Reaction Label POA_AGE3 \n RKI( NCELL, 744) = 4.0000D-11 * CFACT \n! Reaction Label POA_AGE4 \n RKI( NCELL, 745) = 4.0000D-11 * CFACT \n! Reaction Label POA_AGE5 \n RKI( NCELL, 746) = 4.0000D-11 * CFACT \n! Reaction Label POA_AGE6 \n RKI( NCELL, 747) = 4.0000D-11 * CFACT \n! Reaction Label POA_AGE7 \n RKI( NCELL, 748) = 4.0000D-11 * CFACT \n! Reaction Label POA_AGE8 \n RKI( NCELL, 749) = 4.0000D-11 * CFACT \n! Reaction Label POA_AGE9 \n RKI( NCELL, 750) = 4.0000D-11 * CFACT \n! Reaction Label POA_AGE10 \n RKI( NCELL, 751) = 4.0000D-11 * CFACT \n! Reaction Label HET_IEPOX \n RKI( NCELL, 752) = BLKHET( NCELL, IK_HETERO_IEPOX )\n\n END DO \n! Multiply rate constants by [M], [O2], [N2], [H2O], [H2], or [CH4]\n! where needed and return\n IF ( NWM .GT. 0 ) THEN\n DO NRT = 1, NWM\n IRXN = NRXWM( NRT )\n DO NCELL = 1, NUMCELLS\n RKI( NCELL,IRXN ) = RKI( NCELL,IRXN ) * ATM_AIR\n END DO\n END DO\n END IF\n IF ( NWO2 .GT. 0 ) THEN\n DO NRT = 1, NWO2\n IRXN = NRXWO2( NRT )\n DO NCELL = 1, NUMCELLS\n RKI( NCELL,IRXN ) = RKI( NCELL,IRXN ) * ATM_O2\n END DO\n END DO\n END IF\n IF ( NWN2 .GT. 0 ) THEN\n DO NRT = 1, NWN2\n IRXN = NRXWN2( NRT )\n DO NCELL = 1, NUMCELLS\n RKI( NCELL,IRXN ) = RKI( NCELL,IRXN ) * ATM_N2\n END DO\n END DO\n END IF\n IF ( NWW .GT. 0 ) THEN\n DO NRT = 1, NWW\n IRXN = NRXWW( NRT )\n DO NCELL = 1, NUMCELLS\n RKI( NCELL,IRXN ) = RKI( NCELL,IRXN ) * BLKH2O( NCELL )\n END DO\n END DO\n END IF\n IF ( NWH2 .GT. 0 ) THEN\n DO NRT = 1, NWH2\n IRXN = NRXWH2( NRT )\n DO NCELL = 1, NUMCELLS\n RKI( NCELL,IRXN ) = RKI( NCELL,IRXN ) * ATM_H2\n END DO\n END DO\n END IF\n IF ( NWCH4 .GT. 0 ) THEN\n DO NRT = 1, NWCH4\n IRXN = NRXWCH4( NRT )\n DO NCELL = 1, NUMCELLS\n RKI( NCELL,IRXN ) = RKI( NCELL,IRXN ) * ATM_CH4\n END DO\n END DO\n END IF\n RETURN\n END SUBROUTINE CALC_RCONST\n FUNCTION MAP_CHEMISTRY_SPECIES() RESULT ( SUCCESS )\n\n! Purpose find or test the CGRID Index, Species Type, and Conversion Factor\n! for the Mechanism against the CMAQ namelists\n\n USE UTILIO_DEFN\n USE CGRID_SPCS\n USE RXNS_DATA\n\n IMPLICIT NONE\n\n!Parameters:\n CHARACTER( 1 ), PARAMETER :: BL = ' '\n INTEGER, PARAMETER :: SPC_DIM = 200\n!Local:\n\n LOGICAL SUCCESS\n INTEGER I, IOS, J\n INTEGER I1, I2, I3, I4 ! SURROGATE TYPE 1 COUNTERS\n INTEGER J1, J2 ! SURROGATE TYPE 2 COUNTERS\n INTEGER K1, K2, K3, K4, K5 ! CONTROL TYPE COUNTERS\n INTEGER ICALL\n\n LOGICAL :: ORDER = .TRUE.\n LOGICAL :: FOUND = .TRUE.\n\n CHARACTER( 120 ) :: XMSG\n\n CHARACTER( 16 ), ALLOCATABLE :: CGRID_SPC ( : )\n CHARACTER( 16 ), ALLOCATABLE :: NML_SPC ( : )\n CHARACTER( 2 ), ALLOCATABLE :: NML_TYPE ( : )\n INTEGER, ALLOCATABLE :: NML_INDEX ( : )\n LOGICAL, ALLOCATABLE :: NML_CONVERT( : )\n REAL, ALLOCATABLE :: NML_MOLWT ( : )\n REAL :: DELTA ! fractional difference\n\n LOGICAL, SAVE :: INITIALIZED = .FALSE.\n\n IF( INITIALIZED )RETURN\n\n INITIALIZED = .TRUE.\n SUCCESS = .TRUE.\n\n\n ALLOCATE ( CGRID_SPC( NSPCSD - 1 ), &\n & NML_SPC ( NSPCSD - 1 ), &\n & NML_INDEX( NSPCSD - 1 ), &\n & NML_TYPE( NSPCSD - 1 ), &\n & NML_CONVERT( NSPCSD - 1 ), &\n & NML_MOLWT( NSPCSD - 1 ), &\n & STAT = IOS )\n\n\n J = 0\n\n\n NML_INDEX = -1\n TYPE_INDEX = -1\n NML_TYPE = '??'\n NML_CONVERT = .FALSE.\n\n DO I = 1, N_GC_SPC ! load gc names and indices\n J = J + 1\n CGRID_SPC( I ) = GC_SPC( I )\n NML_INDEX( J ) = I + GC_STRT -1\n NML_TYPE( J ) = 'GC'\n NML_MOLWT( J ) = GC_MOLWT( I )\n END DO\n\n DO I = 1, N_AE_SPC ! load ae names and indices\n J = J + 1\n CGRID_SPC( J ) = AE_SPC( I )\n NML_INDEX( J ) = I + AE_STRT - 1\n NML_TYPE( J ) = 'AE'\n NML_CONVERT( J ) = .TRUE.\n NML_MOLWT( J ) = AE_MOLWT( I )\n END DO\n\n DO I = 1, N_NR_SPC ! load nr names and indices\n J = J + 1\n CGRID_SPC( J ) = NR_SPC( I )\n NML_INDEX( J ) = I + NR_STRT - 1\n NML_TYPE( J ) = 'NR'\n NML_MOLWT( J ) = NR_MOLWT( I )\n END DO\n\n DO I = 1, N_TR_SPC ! load tr names and indices\n J = J + 1\n CGRID_SPC( J ) = TR_SPC( I )\n NML_INDEX( J ) = I + TR_STRT - 1\n NML_TYPE( J ) = 'TR'\n NML_MOLWT( J ) = TR_MOLWT( I )\n END DO\n\n NML_SPC( 1:(NSPCSD-1) ) = CGRID_SPC( 1:(NSPCSD-1) )\n\n\n! determine if mechanism species are in cgrid species\n\n DO I = 1, NUMB_MECH_SPC\n! set species informations arrays using SPECIES_LIST array before mapping\n CHEMISTRY_SPC( I ) = SPECIES_LIST( I )%CHEMISTRY_SPC\n CGRID_INDEX ( I ) = SPECIES_LIST( I )%CGRID_INDEX\n SPECIES_TYPE ( I ) = SPECIES_LIST( I )%SPECIES_TYPE\n CONVERT_CONC ( I ) = SPECIES_LIST( I )%CONVERT_CONC\n SPECIES_MOLWT( I ) = SPECIES_LIST( I )%SPECIES_MOLWT\n\n I1 = INDEX1R( CHEMISTRY_SPC( I ), (NSPCSD-1), CGRID_SPC )\n IF ( I1 .LT. 1 ) THEN\n FOUND = .FALSE.\n ELSE\n FOUND = .TRUE.\n IF( .NOT. MAPPED_TO_CGRID )THEN\n CGRID_INDEX( I ) = NML_INDEX( I1 )\n SPECIES_TYPE( I ) = NML_TYPE ( I1 )\n SPECIES_MOLWT( I ) = NML_MOLWT( I1 )\n CONVERT_CONC( I ) = NML_CONVERT( I1 )\n ELSE\n IF(CGRID_INDEX( I ) .NE. NML_INDEX( I1 ))THEN\n SUCCESS = .FALSE.\n XMSG = '*** For Species ' // TRIM( CHEMISTRY_SPC( I ) ) &\n & // ' cgrid index does not match mechanism value.'\n WRITE( LOGDEV,'( /5X, A )' ) TRIM( XMSG )\n WRITE( XMSG,'(A,I3,1X,I3)')'CGRID Indices: Mechanism and NML Values are ', &\n & CGRID_INDEX( I ),NML_INDEX( I1 )\n WRITE( LOGDEV,'( 5X, A )' )XMSG\n END IF\n IF(CONVERT_CONC( I ) .NEQV. NML_CONVERT( I1 ))THEN\n SUCCESS = .FALSE.\n XMSG = '*** For Species ' // TRIM( CHEMISTRY_SPC( I ) ) &\n & // ' species unit conversion flag does not match mechanism value.'\n WRITE( LOGDEV,'( /5X, A )' ) TRIM( XMSG )\n WRITE( XMSG,'(A,1X,L21X,L2)')'CONVERSION FLAGS: Mechanism and NML Values are ', &\n & CONVERT_CONC( I ),NML_CONVERT( I1 )\n WRITE( LOGDEV,'( 5X, A )' )XMSG\n WRITE( XMSG,'(A,1X,A3,1X,A3)')'SPECIES TYPE: Mechanism and NML Values are ', &\n & SPECIES_TYPE( I ),NML_TYPE( I1 )\n WRITE( LOGDEV,'( 5X, A )' )XMSG\n END IF\n DELTA = ( SPECIES_MOLWT( I ) - NML_MOLWT( I1 ) )/MAX(NML_MOLWT( I1 ),1.0E-20)\n IF( ABS( DELTA ) .GE. 0.05 )THEN\n IF( CONVERT_CONC( I ) )SUCCESS = .FALSE.\n XMSG = '*** For Species ' // TRIM( CHEMISTRY_SPC( I ) ) &\n & // ' species molecular weight does not match mechanism value.'\n WRITE( LOGDEV,'( /5X, A )' ) TRIM( XMSG )\n WRITE( XMSG,'(A,2(ES12.4,1X))')'Molecular Weight: Mechanism and NML Values are ', &\n & SPECIES_MOLWT( I ), NML_MOLWT( I1 )\n WRITE( LOGDEV,'( 5X, A )' )XMSG\n END IF\n END IF\n END IF\n IF( INDEX( CHEMISTRY_SPC( I ), 'SRF') .GT. 0 )THEN\n SUCCESS = .FALSE.\n XMSG = '*** reactions cannot use modal aerosol surface area as species'\n WRITE( LOGDEV,'( /5X, A )' ) TRIM( XMSG )\n XMSG = TRIM( CHEMISTRY_SPC( I ) )\n WRITE( LOGDEV,'( 2X, A )' ) TRIM( XMSG )\n END IF\n IF( INDEX( CHEMISTRY_SPC( I ), 'NUM') .GT. 0 )THEN\n SUCCESS = .FALSE.\n XMSG = '*** reactions cannot use modal aerosol number density as species'\n WRITE( LOGDEV,'( /5X, A )' ) TRIM( XMSG )\n XMSG = TRIM( CHEMISTRY_SPC( I ) )\n WRITE( LOGDEV,'( 2X, A )' ) TRIM( XMSG )\n END IF\n IF ( .NOT. FOUND ) THEN\n XMSG = 'Fatal error: Mechanism Species found not in species namelist:'\n WRITE( LOGDEV,'( /5X, A )', ADVANCE = 'NO' ) TRIM( XMSG )\n XMSG = TRIM( CHEMISTRY_SPC( I ) )\n WRITE( LOGDEV,'( 2X, A )' ) TRIM( XMSG )\n SUCCESS = .FALSE.\n END IF\n END DO\n\n IF( SUCCESS )RETURN\n\n WRITE(LOGDEV,99901)TRIM( MECHNAME )\n XMSG = 'The FATAL errors found in namelist used. Check ' &\n & // 'the log of exiting processor if more details are needed.'\n CALL M3WARN('MAP_CHEMISTRY_SPECIES',0,0,XMSG)\n\n\n99901 FORMAT( / 'FATAL error(s) found in the namelists used. Check that ' &\n & / 'these namelists contain the above data as the respective files ' &\n & / 'in the respository version of the mechanism: ' , A )\n\n RETURN\n\n END FUNCTION MAP_CHEMISTRY_SPECIES\n!----------------------------------------------------------------------------------------\n INTEGER FUNCTION INDEX1R ( NAME, N, NLIST )\n IMPLICIT NONE\n CHARACTER( * ) NAME ! character string being searched for\n INTEGER N ! length of array to be searched\n CHARACTER( * ) NLIST( : ) ! array to be searched\n\n INTEGER I\n\n DO I = 1, N\n IF ( NAME .EQ. NLIST( I ) ) THEN\n INDEX1R = I\n RETURN\n END IF\n END DO\n INDEX1R = 0\n RETURN\n\n END FUNCTION INDEX1R\n SUBROUTINE RESET_SPECIES_POINTERS( IOLD2NEW )\n\n USE RXNS_DATA\n IMPLICIT NONE\n INTEGER, INTENT( IN ) :: IOLD2NEW( :,: ) \n\n\n INDEX_NO2 = IOLD2NEW( INDEX_NO2 , 1 )\n INDEX_NO = IOLD2NEW( INDEX_NO , 1 )\n INDEX_O3P = IOLD2NEW( INDEX_O3P , 1 )\n INDEX_O3 = IOLD2NEW( INDEX_O3 , 1 )\n INDEX_NO3 = IOLD2NEW( INDEX_NO3 , 1 )\n INDEX_N2O5 = IOLD2NEW( INDEX_N2O5 , 1 )\n INDEX_HNO3 = IOLD2NEW( INDEX_HNO3 , 1 )\n INDEX_O1D = IOLD2NEW( INDEX_O1D , 1 )\n INDEX_OH = IOLD2NEW( INDEX_OH , 1 )\n INDEX_HONO = IOLD2NEW( INDEX_HONO , 1 )\n INDEX_HO2 = IOLD2NEW( INDEX_HO2 , 1 )\n INDEX_CO = IOLD2NEW( INDEX_CO , 1 )\n INDEX_CO2 = IOLD2NEW( INDEX_CO2 , 1 )\n INDEX_HNO4 = IOLD2NEW( INDEX_HNO4 , 1 )\n INDEX_HO2H = IOLD2NEW( INDEX_HO2H , 1 )\n INDEX_SO2 = IOLD2NEW( INDEX_SO2 , 1 )\n INDEX_SULF = IOLD2NEW( INDEX_SULF , 1 )\n INDEX_SULRXN = IOLD2NEW( INDEX_SULRXN , 1 )\n INDEX_MEO2 = IOLD2NEW( INDEX_MEO2 , 1 )\n INDEX_HCHO = IOLD2NEW( INDEX_HCHO , 1 )\n INDEX_COOH = IOLD2NEW( INDEX_COOH , 1 )\n INDEX_MEOH = IOLD2NEW( INDEX_MEOH , 1 )\n INDEX_RO2C = IOLD2NEW( INDEX_RO2C , 1 )\n INDEX_RO2XC = IOLD2NEW( INDEX_RO2XC , 1 )\n INDEX_MECO3 = IOLD2NEW( INDEX_MECO3 , 1 )\n INDEX_PAN = IOLD2NEW( INDEX_PAN , 1 )\n INDEX_CCOOOH = IOLD2NEW( INDEX_CCOOOH , 1 )\n INDEX_CCOOH = IOLD2NEW( INDEX_CCOOH , 1 )\n INDEX_RCO3 = IOLD2NEW( INDEX_RCO3 , 1 )\n INDEX_PAN2 = IOLD2NEW( INDEX_PAN2 , 1 )\n INDEX_xHO2 = IOLD2NEW( INDEX_xHO2 , 1 )\n INDEX_yROOH = IOLD2NEW( INDEX_yROOH , 1 )\n INDEX_xCCHO = IOLD2NEW( INDEX_xCCHO , 1 )\n INDEX_RCOOOH = IOLD2NEW( INDEX_RCOOOH , 1 )\n INDEX_RCOOH = IOLD2NEW( INDEX_RCOOH , 1 )\n INDEX_BZCO3 = IOLD2NEW( INDEX_BZCO3 , 1 )\n INDEX_PBZN = IOLD2NEW( INDEX_PBZN , 1 )\n INDEX_BZO = IOLD2NEW( INDEX_BZO , 1 )\n INDEX_MACO3 = IOLD2NEW( INDEX_MACO3 , 1 )\n INDEX_MAPAN = IOLD2NEW( INDEX_MAPAN , 1 )\n INDEX_TBUO = IOLD2NEW( INDEX_TBUO , 1 )\n INDEX_RNO3 = IOLD2NEW( INDEX_RNO3 , 1 )\n INDEX_ACETONE = IOLD2NEW( INDEX_ACETONE , 1 )\n INDEX_NPHE = IOLD2NEW( INDEX_NPHE , 1 )\n INDEX_CRES = IOLD2NEW( INDEX_CRES , 1 )\n INDEX_xOH = IOLD2NEW( INDEX_xOH , 1 )\n INDEX_xNO2 = IOLD2NEW( INDEX_xNO2 , 1 )\n INDEX_xMEO2 = IOLD2NEW( INDEX_xMEO2 , 1 )\n INDEX_xMECO3 = IOLD2NEW( INDEX_xMECO3 , 1 )\n INDEX_xRCO3 = IOLD2NEW( INDEX_xRCO3 , 1 )\n INDEX_xMACO3 = IOLD2NEW( INDEX_xMACO3 , 1 )\n INDEX_xTBUO = IOLD2NEW( INDEX_xTBUO , 1 )\n INDEX_xCO = IOLD2NEW( INDEX_xCO , 1 )\n INDEX_CCHO = IOLD2NEW( INDEX_CCHO , 1 )\n INDEX_RCHO = IOLD2NEW( INDEX_RCHO , 1 )\n INDEX_xHCHO = IOLD2NEW( INDEX_xHCHO , 1 )\n INDEX_MEK = IOLD2NEW( INDEX_MEK , 1 )\n INDEX_zRNO3 = IOLD2NEW( INDEX_zRNO3 , 1 )\n INDEX_xRCHO = IOLD2NEW( INDEX_xRCHO , 1 )\n INDEX_HCOOH = IOLD2NEW( INDEX_HCOOH , 1 )\n INDEX_xMGLY = IOLD2NEW( INDEX_xMGLY , 1 )\n INDEX_xBACL = IOLD2NEW( INDEX_xBACL , 1 )\n INDEX_ROOH = IOLD2NEW( INDEX_ROOH , 1 )\n INDEX_xPROD2 = IOLD2NEW( INDEX_xPROD2 , 1 )\n INDEX_R6OOH = IOLD2NEW( INDEX_R6OOH , 1 )\n INDEX_PRD2 = IOLD2NEW( INDEX_PRD2 , 1 )\n INDEX_yR6OOH = IOLD2NEW( INDEX_yR6OOH , 1 )\n INDEX_RAOOH = IOLD2NEW( INDEX_RAOOH , 1 )\n INDEX_MGLY = IOLD2NEW( INDEX_MGLY , 1 )\n INDEX_IPRD = IOLD2NEW( INDEX_IPRD , 1 )\n INDEX_xGLY = IOLD2NEW( INDEX_xGLY , 1 )\n INDEX_xMEK = IOLD2NEW( INDEX_xMEK , 1 )\n INDEX_xAFG1 = IOLD2NEW( INDEX_xAFG1 , 1 )\n INDEX_xAFG2 = IOLD2NEW( INDEX_xAFG2 , 1 )\n INDEX_GLY = IOLD2NEW( INDEX_GLY , 1 )\n INDEX_AFG1 = IOLD2NEW( INDEX_AFG1 , 1 )\n INDEX_AFG2 = IOLD2NEW( INDEX_AFG2 , 1 )\n INDEX_HCOCO3 = IOLD2NEW( INDEX_HCOCO3 , 1 )\n INDEX_BACL = IOLD2NEW( INDEX_BACL , 1 )\n INDEX_BALD = IOLD2NEW( INDEX_BALD , 1 )\n INDEX_AFG3 = IOLD2NEW( INDEX_AFG3 , 1 )\n INDEX_xIPRD = IOLD2NEW( INDEX_xIPRD , 1 )\n INDEX_MACR = IOLD2NEW( INDEX_MACR , 1 )\n INDEX_MVK = IOLD2NEW( INDEX_MVK , 1 )\n INDEX_xHOCCHO = IOLD2NEW( INDEX_xHOCCHO , 1 )\n INDEX_xRNO3 = IOLD2NEW( INDEX_xRNO3 , 1 )\n INDEX_HOCCHO = IOLD2NEW( INDEX_HOCCHO , 1 )\n INDEX_xACETONE = IOLD2NEW( INDEX_xACETONE , 1 )\n INDEX_ACROLEIN = IOLD2NEW( INDEX_ACROLEIN , 1 )\n INDEX_xBALD = IOLD2NEW( INDEX_xBALD , 1 )\n INDEX_xAFG3 = IOLD2NEW( INDEX_xAFG3 , 1 )\n INDEX_xMACR = IOLD2NEW( INDEX_xMACR , 1 )\n INDEX_xMVK = IOLD2NEW( INDEX_xMVK , 1 )\n INDEX_yISOPOOH = IOLD2NEW( INDEX_yISOPOOH , 1 )\n INDEX_ISOPOOH = IOLD2NEW( INDEX_ISOPOOH , 1 )\n INDEX_yRAOOH = IOLD2NEW( INDEX_yRAOOH , 1 )\n INDEX_xACROLEIN = IOLD2NEW( INDEX_xACROLEIN , 1 )\n INDEX_ETHENE = IOLD2NEW( INDEX_ETHENE , 1 )\n INDEX_PROPENE = IOLD2NEW( INDEX_PROPENE , 1 )\n INDEX_BUTADIENE13 = IOLD2NEW( INDEX_BUTADIENE13 , 1 )\n INDEX_ISOPRENE = IOLD2NEW( INDEX_ISOPRENE , 1 )\n INDEX_ISOPRXN = IOLD2NEW( INDEX_ISOPRXN , 1 )\n INDEX_IEPOX = IOLD2NEW( INDEX_IEPOX , 1 )\n INDEX_ARO2MN = IOLD2NEW( INDEX_ARO2MN , 1 )\n INDEX_IEPOXOO = IOLD2NEW( INDEX_IEPOXOO , 1 )\n INDEX_APIN = IOLD2NEW( INDEX_APIN , 1 )\n INDEX_TRPRXN = IOLD2NEW( INDEX_TRPRXN , 1 )\n INDEX_ACETYLENE = IOLD2NEW( INDEX_ACETYLENE , 1 )\n INDEX_BENZENE = IOLD2NEW( INDEX_BENZENE , 1 )\n INDEX_BENZRO2 = IOLD2NEW( INDEX_BENZRO2 , 1 )\n INDEX_TOLUENE = IOLD2NEW( INDEX_TOLUENE , 1 )\n INDEX_TOLRO2 = IOLD2NEW( INDEX_TOLRO2 , 1 )\n INDEX_MXYL = IOLD2NEW( INDEX_MXYL , 1 )\n INDEX_XYLRO2 = IOLD2NEW( INDEX_XYLRO2 , 1 )\n INDEX_OXYL = IOLD2NEW( INDEX_OXYL , 1 )\n INDEX_PXYL = IOLD2NEW( INDEX_PXYL , 1 )\n INDEX_TMBENZ124 = IOLD2NEW( INDEX_TMBENZ124 , 1 )\n INDEX_ETOH = IOLD2NEW( INDEX_ETOH , 1 )\n INDEX_ALK1 = IOLD2NEW( INDEX_ALK1 , 1 )\n INDEX_ALK2 = IOLD2NEW( INDEX_ALK2 , 1 )\n INDEX_ALK3 = IOLD2NEW( INDEX_ALK3 , 1 )\n INDEX_ALK4 = IOLD2NEW( INDEX_ALK4 , 1 )\n INDEX_ALK5 = IOLD2NEW( INDEX_ALK5 , 1 )\n INDEX_SOAALK = IOLD2NEW( INDEX_SOAALK , 1 )\n INDEX_ALKRXN = IOLD2NEW( INDEX_ALKRXN , 1 )\n INDEX_OLE1 = IOLD2NEW( INDEX_OLE1 , 1 )\n INDEX_OLE2 = IOLD2NEW( INDEX_OLE2 , 1 )\n INDEX_ARO1 = IOLD2NEW( INDEX_ARO1 , 1 )\n INDEX_NAPHTHAL = IOLD2NEW( INDEX_NAPHTHAL , 1 )\n INDEX_PAHRO2 = IOLD2NEW( INDEX_PAHRO2 , 1 )\n INDEX_TERP = IOLD2NEW( INDEX_TERP , 1 )\n INDEX_SESQ = IOLD2NEW( INDEX_SESQ , 1 )\n INDEX_SESQRXN = IOLD2NEW( INDEX_SESQRXN , 1 )\n INDEX_CL2 = IOLD2NEW( INDEX_CL2 , 1 )\n INDEX_CL = IOLD2NEW( INDEX_CL , 1 )\n INDEX_CLNO = IOLD2NEW( INDEX_CLNO , 1 )\n INDEX_CLONO = IOLD2NEW( INDEX_CLONO , 1 )\n INDEX_CLNO2 = IOLD2NEW( INDEX_CLNO2 , 1 )\n INDEX_HCL = IOLD2NEW( INDEX_HCL , 1 )\n INDEX_CLO = IOLD2NEW( INDEX_CLO , 1 )\n INDEX_CLONO2 = IOLD2NEW( INDEX_CLONO2 , 1 )\n INDEX_HOCL = IOLD2NEW( INDEX_HOCL , 1 )\n INDEX_xCL = IOLD2NEW( INDEX_xCL , 1 )\n INDEX_xCLCCHO = IOLD2NEW( INDEX_xCLCCHO , 1 )\n INDEX_xCLACET = IOLD2NEW( INDEX_xCLACET , 1 )\n INDEX_CLCCHO = IOLD2NEW( INDEX_CLCCHO , 1 )\n INDEX_CLACET = IOLD2NEW( INDEX_CLACET , 1 )\n INDEX_CLCHO = IOLD2NEW( INDEX_CLCHO , 1 )\n INDEX_BNZNRXN = IOLD2NEW( INDEX_BNZNRXN , 1 )\n INDEX_BNZHRXN = IOLD2NEW( INDEX_BNZHRXN , 1 )\n INDEX_XYLNRXN = IOLD2NEW( INDEX_XYLNRXN , 1 )\n INDEX_XYLHRXN = IOLD2NEW( INDEX_XYLHRXN , 1 )\n INDEX_TOLNRXN = IOLD2NEW( INDEX_TOLNRXN , 1 )\n INDEX_TOLHRXN = IOLD2NEW( INDEX_TOLHRXN , 1 )\n INDEX_PAHNRXN = IOLD2NEW( INDEX_PAHNRXN , 1 )\n INDEX_PAHHRXN = IOLD2NEW( INDEX_PAHHRXN , 1 )\n INDEX_HCHO_PRIMARY = IOLD2NEW( INDEX_HCHO_PRIMARY, 1 )\n INDEX_CCHO_PRIMARY = IOLD2NEW( INDEX_CCHO_PRIMARY, 1 )\n INDEX_ACRO_PRIMARY = IOLD2NEW( INDEX_ACRO_PRIMARY, 1 )\n INDEX_H2NO3PIJ = IOLD2NEW( INDEX_H2NO3PIJ , 1 )\n INDEX_H2NO3PK = IOLD2NEW( INDEX_H2NO3PK , 1 )\n INDEX_ACLI = IOLD2NEW( INDEX_ACLI , 1 )\n INDEX_ACLJ = IOLD2NEW( INDEX_ACLJ , 1 )\n INDEX_ACLK = IOLD2NEW( INDEX_ACLK , 1 )\n INDEX_AXYL1J = IOLD2NEW( INDEX_AXYL1J , 1 )\n INDEX_AOLGAJ = IOLD2NEW( INDEX_AOLGAJ , 1 )\n INDEX_AXYL2J = IOLD2NEW( INDEX_AXYL2J , 1 )\n INDEX_ATOL1J = IOLD2NEW( INDEX_ATOL1J , 1 )\n INDEX_ATOL2J = IOLD2NEW( INDEX_ATOL2J , 1 )\n INDEX_ABNZ1J = IOLD2NEW( INDEX_ABNZ1J , 1 )\n INDEX_ABNZ2J = IOLD2NEW( INDEX_ABNZ2J , 1 )\n INDEX_ATRP1J = IOLD2NEW( INDEX_ATRP1J , 1 )\n INDEX_AOLGBJ = IOLD2NEW( INDEX_AOLGBJ , 1 )\n INDEX_ATRP2J = IOLD2NEW( INDEX_ATRP2J , 1 )\n INDEX_AISO1J = IOLD2NEW( INDEX_AISO1J , 1 )\n INDEX_AISO2J = IOLD2NEW( INDEX_AISO2J , 1 )\n INDEX_ASQTJ = IOLD2NEW( INDEX_ASQTJ , 1 )\n INDEX_APAH1J = IOLD2NEW( INDEX_APAH1J , 1 )\n INDEX_APAH2J = IOLD2NEW( INDEX_APAH2J , 1 )\n INDEX_AALK1J = IOLD2NEW( INDEX_AALK1J , 1 )\n INDEX_AALK2J = IOLD2NEW( INDEX_AALK2J , 1 )\n INDEX_APOCI = IOLD2NEW( INDEX_APOCI , 1 )\n INDEX_APNCOMI = IOLD2NEW( INDEX_APNCOMI , 1 )\n INDEX_APOCJ = IOLD2NEW( INDEX_APOCJ , 1 )\n INDEX_APNCOMJ = IOLD2NEW( INDEX_APNCOMJ , 1 )\n INDEX_PCVOC = IOLD2NEW( INDEX_PCVOC , 1 )\n INDEX_PCSOARXN = IOLD2NEW( INDEX_PCSOARXN , 1 )\n INDEX_VLVPO1 = IOLD2NEW( INDEX_VLVPO1 , 1 )\n INDEX_VSVPO1 = IOLD2NEW( INDEX_VSVPO1 , 1 )\n INDEX_VSVPO2 = IOLD2NEW( INDEX_VSVPO2 , 1 )\n INDEX_VSVPO3 = IOLD2NEW( INDEX_VSVPO3 , 1 )\n INDEX_VIVPO1 = IOLD2NEW( INDEX_VIVPO1 , 1 )\n INDEX_VLVOO1 = IOLD2NEW( INDEX_VLVOO1 , 1 )\n INDEX_VLVOO2 = IOLD2NEW( INDEX_VLVOO2 , 1 )\n INDEX_VSVOO2 = IOLD2NEW( INDEX_VSVOO2 , 1 )\n INDEX_VSVOO3 = IOLD2NEW( INDEX_VSVOO3 , 1 )\n INDEX_VSVOO1 = IOLD2NEW( INDEX_VSVOO1 , 1 )\n INDEX_AISO3J = IOLD2NEW( INDEX_AISO3J , 1 )\n END SUBROUTINE RESET_SPECIES_POINTERS\n END MODULE RXNS_FUNCTION\n" }, { "path": "CCTM/src/MECHS/saprc07tc_ae6_aq/SpecDef_Dep_saprc07tc_ae6_aq.txt", "content": "!#start YYYYJJJ\n!#end YYYYJJJ\n#layer 1\n\n/ File [1]: DRYDEP\n/ File [2]: WETDEP\n/ File [3]: METCRO2D\n/\n/new species ,units ,expression\n\nRT ,cm ,RC[3]>=0 ? RN[3]+RC[3] : RN[3] \n\n!---------------------------------------------------!\n!--------------- Gas Deposition --------------------!\n!---------------------------------------------------!\nDDEP_NO2 ,kg ha-1 ,NO2[1]\nWDEP_NO2 ,kg ha-1 ,NO2[2]\nDDEP_NO ,kg ha-1 ,NO[1]\nWDEP_NO ,kg ha-1 ,NO[2]\nDDEP_NO3 ,kg ha-1 ,NO3[1]\nWDEP_NO3 ,kg ha-1 ,NO3[2]\nDDEP_FORM\t ,kg ha-1 ,HCHO[1]\nWDEP_FORM\t ,kg ha-1 ,HCHO[2]\nDDEP_H2O2\t ,kg ha-1 ,HO2H[1]\nWDEP_H2O2 ,kg ha-1 ,HO2H[2]\nDDEP_N2O5 ,kg ha-1 ,N2O5[1]\nWDEP_N2O5 ,kg ha-1 ,N2O5[2]\nDDEP_HONO ,kg ha-1 ,HONO[1]\nWDEP_HONO ,kg ha-1 ,HONO[2]\nDDEP_HNO3 ,kg ha-1 ,HNO3[1]\nWDEP_HNO3 ,kg ha-1 ,HNO3[2]\nDDEP_NTR ,kg ha-1 ,RNO3[1]\nWDEP_NTR ,kg ha-1 ,RNO3[2]\nDDEP_PANT ,kg ha-1 ,PAN[1]+PAN2[1]+PBZN[1]+MAPAN[1]\nWDEP_PANT ,kg ha-1 ,PAN[2]+PAN2[2]+PBZN[2]+MAPAN[2]\nDDEP_NH3 ,kg ha-1 ,NH3[1]\nWDEP_NH3 ,kg ha-1 ,NH3[2]\nDDEP_SO2 ,kg ha-1 ,SO2[1]\nDDEP_O3 ,kg ha-1 ,O3[1]\nWDEP_O3 ,kg ha-1 ,O3[2]\nDDEP_PNA ,kg ha-1 ,HNO4[1] \nWDEP_PNA ,kg ha-1 ,HNO4[2] \n\n!---------------------------------------------------!\n!------------- Aerosol Deposition ------------------!\n!---------------------------------------------------!\nDDEP_ANO3IJ ,kg ha-1 ,ANO3I[1] + ANO3J[1]\nDDEP_ANO3K ,kg ha-1 ,ANO3K[1]\nWDEP_ANO3IJK ,kg ha-1 ,ANO3I[2] + ANO3J[2] + ANO3K[2]\nDDEP_TNO3 ,kg ha-1 ,ANO3I[1] + ANO3J[1] + ANO3K[1] + 0.984*HNO3[1] + NO3[1]\nWDEP_TNO3 ,kg ha-1 ,ANO3I[2] + ANO3J[2] + ANO3K[2] + 0.984*HNO3[2] + NO3[2]\nDDEP_ANH4IJ ,kg ha-1 ,ANH4I[1] + ANH4J[1]\nDDEP_ANH4K ,kg ha-1 ,ANH4K[1]\nWDEP_ANH4IJK ,kg ha-1 ,ANH4I[2] + ANH4J[2] + ANH4K[2]\nDDEP_ASO4IJ ,kg ha-1 ,ASO4I[1] + ASO4J[1]\nDDEP_ASO4K ,kg ha-1 ,ASO4K[1]\nWDEP_ASO4IJK ,kg ha-1 ,ASO4I[2] + ASO4J[2] + ASO4K[2]\nDDEP_AECIJ\t ,kg ha-1 ,AECI[1] +AECJ[1]\nDDEP_AOCIJ ,kgC ha-1 ,ALVPO1I[1]/1.39 + ASVPO1I[1]/1.32 + ASVPO2I[1]/1.26 \\\n +ALVPO1J[1]/1.39 + ASVPO1J[1]/1.32 + ASVPO2J[1]/1.26 \\\n +ASVPO3J[1]/1.21 + AIVPO1J[1]/1.17 \\\n +ALVOO1I[1]/2.27 + ALVOO2I[1]/2.06 \\\n +ASVOO1I[1]/1.88 + ASVOO2I[1]/1.73 \\\n +AXYL1J[1]/2.42 + AXYL2J[1]/1.93 + AXYL3J[1]/2.30 \\\n +ATOL1J[1]/2.26 + ATOL2J[1]/1.82 + ATOL3J[1]/2.70 \\\n +ABNZ1J[1]/2.68 + ABNZ2J[1]/2.23 + ABNZ3J[1]/3.00 \\\n +AISO1J[1]/2.20 + AISO2J[1]/2.23 + AISO3J[1]/2.80 \\\n +ATRP1J[1]/1.84 + ATRP2J[1]/1.83 + ASQTJ[1]/1.52 \\\n +AALK1J[1]/1.56 + AALK2J[1]/1.42 \\\n +AORGCJ[1]/2.00 + AOLGBJ[1]/2.10 + AOLGAJ[1]/2.50 \\\n +APAH1J[1]/1.63 + APAH2J[1]/1.49 + APAH3J[1]/1.77 \\\n +ALVOO1J[1]/2.27+ ALVOO2J[1]/2.06+ ASVOO1J[1]/1.88 \\\n +ASVOO2J[1]/1.73+ ASVOO3J[1]/1.60 \\\n +APCSOJ[1] /2.00 \n\n!DDEP_SSSO4J ,kg ha-1 ,0.2514*ANAJ[1]\n!DDEP_SSSO4K ,kg ha-1 ,0.2514*DDEP_ANAK[0]\n!WDEP_SSSO4JK ,kg ha-1 ,0.2514*ANAJ[2] + 0.2514*WDEP_ANAK[0]\n\n\n!-----------------------------------------------------!\n!-------- Total (Gas + Aerosol) Deposition -----------!\n!-----------------------------------------------------!\nDDEP_NHX ,kg ha-1 ,ANH4I[1] + ANH4J[1] + ANH4K[1] + 1.059*NH3[1]\nWDEP_NHX ,kg ha-1 ,ANH4I[2] + ANH4J[2] + ANH4K[2] + 1.059*NH3[2]\nWDEP_TSO4 ,kg ha-1 ,ASO4I[2] + ASO4J[2] + ASO4K[2] + 1.5*SO2[2]\n\n!! Sodium\nDDEP_ANAJ ,kg ha-1 ,ANAJ[1]\nDDEP_ANAK ,kg ha-1 ,0.8373*ASEACAT[1]+0.0626*ASOIL[1]+0.0023*ACORS[1]\nDDEP_ANAJK ,kg ha-1 ,DDEP_ANAJ[0] + DDEP_ANAK[0]\nWDEP_ANAK ,kg ha-1 ,0.8373*ASEACAT[2]+0.0626*ASOIL[2]+0.0023*ACORS[2]\nWDEP_ANAJK ,kg ha-1 ,ANAJ[2] + WDEP_ANAK[0]\nTDEP_ANAJK ,kg ha-1 ,DDEP_ANAJK[0] + WDEP_ANAJK[0]\n\n!! Chloride\nDDEP_ACLJ ,kg ha-1 ,ACLJ[1]\nDDEP_ACLK ,kg ha-1 ,ACLK[1]\nDDEP_ACLJK ,kg ha-1 ,ACLJ[1] + ACLK[1]\nWDEP_TCL ,kg ha-1 ,0.972*HCL[2]+0.435*CLNO2[2] + ACLJ[2] + ACLK[2]\nTDEP_CL ,kg ha-1 ,DDEP_ACLJK[0] + WDEP_TCL[0]\n\n!! Calcium\nDDEP_CAJ\t ,kg ha-1 ,ACAJ[1]\nWDEP_CAJ\t ,kg ha-1 ,ACAJ[2]\nDDEP_CAK ,kg ha-1 ,0.0320*ASEACAT[1]+0.0838*ASOIL[1]+0.0562*ACORS[1]\nWDEP_CAK ,kg ha-1 ,0.0320*ASEACAT[2]+0.0838*ASOIL[2]+0.0562*ACORS[2]\nDDEP_CAJK\t ,kg ha-1 ,ACAJ[1]+DDEP_CAK[0]\nWDEP_CAJK\t ,kg ha-1 ,ACAJ[2]+WDEP_CAK[0]\n\n!! Iron\nDDEP_FEJ\t ,kg ha-1 ,AFEJ[1]\nWDEP_FEJ\t ,kg ha-1 ,AFEJ[2]\n\n!! Aluminum\nDDEP_ALJ\t ,kg ha-1 ,AALJ[1]\nWDEP_ALJ ,kg ha-1 ,AALJ[2]\n\n!! Silicon\nDDEP_SIJ ,kg ha-1 ,ASIJ[1]\nWDEP_SIJ ,kg ha-1 ,ASIJ[2]\n\n!! Titanium\nDDEP_TIJ ,kg ha-1 ,ATIJ[1]\nWDEP_TIJ ,kg ha-1 ,ATIJ[2]\n\n!! Magnesium\nDDEP_MGJ ,kg ha-1 ,AMGJ[1]\nWDEP_MGJ ,kg ha-1 ,AMGJ[2]\nDDEP_MGK ,kg ha-1 ,0.0997*ASEACAT[1]+0.0170*ASOIL[1]+0.0032*ACORS[1]\nWDEP_MGK ,kg ha-1 ,0.0997*ASEACAT[2]+0.0170*ASOIL[2]+0.0032*ACORS[2]\nDDEP_MGJK ,kg ha-1 ,AMGJ[1]+DDEP_MGK[0]\nWDEP_MGJK ,kg ha-1 ,AMGJ[2]+WDEP_MGK[0]\n\n!! Potassium\nDDEP_KJ ,kg ha-1 ,AKJ[1]\nWDEP_KJ ,kg ha-1 ,AKJ[2]\nDDEP_KK ,kg ha-1 ,0.0310*ASEACAT[1]+0.0242*ASOIL[1]+0.0176*ACORS[1]\nWDEP_KK ,kg ha-1 ,0.0310*ASEACAT[2]+0.0242*ASOIL[2]+0.0176*ACORS[2]\nDDEP_KJK ,kg ha-1 ,AKJ[1]+DDEP_KK[0]\nWDEP_KJK ,kg ha-1 ,AKJ[2]+WDEP_KK[0]\n\n!! Manganese\nDDEP_MNJ ,kg ha-1 ,AMNJ[1]\nWDEP_MNJ ,kg ha-1 ,AMNJ[2]\n\n\n!---------------------------------------------------!\n!------------- Nitrogen Deposition -----------------!\n!---------------------------------------------------!\nDD_OXN_NOX ,kgN ha-1 ,0.30435*NO2[1] + 0.46667*NO[1]\nWD_OXN_NOX ,kgN ha-1 ,0.30435*NO2[2] + 0.46667*NO[2]\nDD_OXN_TNO3 ,kgN ha-1 ,0.22581*DDEP_TNO3[0]\nWD_OXN_TNO3 ,kgN ha-1 ,0.22581*WDEP_TNO3[0]\nDD_OXN_PANT ,kgN ha-1 ,0.11570*DDEP_PANT[0] \nWD_OXN_PANT ,kgN ha-1 ,0.11570*WDEP_PANT[0]\nDD_OXN_ORGN ,kgN ha-1 ,0.10770*(DDEP_NTR[0])\nWD_OXN_ORGN ,kgN ha-1 ,0.10770*(WDEP_NTR[0]) \nDD_OXN_OTHR ,kgN ha-1 ,0.25926*N2O5[1] + 0.29787*HONO[1]+0.17720*HNO4[1]+0.1717*CLNO2[1]\nWD_OXN_OTHR ,kgN ha-1 ,0.25926*N2O5[2] + 0.29787*HONO[2]+0.17720*HNO4[2]+0.1717*CLNO2[2]\nDD_OXN_TOT ,kgN ha-1 ,DD_OXN_NOX[0] + DD_OXN_TNO3[0] + DD_OXN_PANT[0] + DD_OXN_ORGN[0] + DD_OXN_OTHR[0]\nWD_OXN_TOT ,kgN ha-1 ,WD_OXN_NOX[0] + WD_OXN_TNO3[0] + WD_OXN_PANT[0] + WD_OXN_ORGN[0] + WD_OXN_OTHR[0]\n\nTD_OXN_TOT ,kgN ha-1 ,DD_OXN_TOT[0] + WD_OXN_TOT[0]\nDD_REDN_TOT ,kgN ha-1 ,0.7777*DDEP_NHX[0]\nWD_REDN_TOT ,kgN ha-1 ,0.7777*WDEP_NHX[0]\nTD_REDN_TOT ,kgN ha-1 ,DD_REDN_TOT[0] + WD_REDN_TOT[0]\n\nDD_N_TOT ,kgN ha-1 ,DD_OXN_TOT[0] + DD_REDN_TOT[0]\nWD_N_TOT ,kgN ha-1 ,WD_OXN_TOT[0] + WD_REDN_TOT[0]\nTD_N_TOT ,kgN ha-1 ,DD_N_TOT[0] + WD_N_TOT[0]\n\n!! Nitrogen Deposition in milliequivalents Nitrogen\n!DD_OXN_TOTMEQ ,meqN m-2 ,7.14*DD_OXN_TOT[0]\n!WD_OXN_TOTMEQ ,meqN m-2 ,7.14*WD_OXN_TOT[0]\n!TD_OXN_TOTMEQ ,meqN m-2 ,DD_OXN_TOTMEQ[0] + WD_OXN_TOTMEQ[0]\n!DD_REDN_TOTMEQ ,meqN m-2 ,7.14*DD_REDN_TOT[0]\n!WD_REDN_TOTMEQ ,meqN m-2 ,7.14*WD_REDN_TOT[0]\n!TD_REDN_TOTMEQ ,meqN m-2 ,DD_REDN_TOTMEQ[0] + WD_REDN_TOTMEQ[0]\n!DD_N_TOTMEQ ,meqN m-2 ,DD_OXN_TOTMEQ[0] + DD_REDN_TOTMEQ[0]\n!WD_N_TOTMEQ ,meqN m-2 ,WD_OXN_TOTMEQ[0] + WD_REDN_TOTMEQ[0]\n!TD_N_TOTMEQ ,meqN m-2 ,DD_N_TOTMEQ[0] + WD_N_TOTMEQ[0]\n\n!-------------------------------------------------!\n!------------- Sulfur Deposition -----------------!\n!-------------------------------------------------!\nDD_S_TOT ,kgS ha-1 ,0.5*SO2[1] + 0.33333*ASO4I[1] + 0.33333*ASO4J[1] + 0.33333*ASO4K[1]\nWD_S_TOT ,kgS ha-1 ,0.33333*WDEP_TSO4[0]\nTD_S_TOT ,kgS ha-1 ,DD_S_TOT[0] + WD_S_TOT[0]\n!DD_S_SeaS ,kgS ha-1 ,0.33333*DDEP_SSSO4J[0] + 0.33333*DDEP_SSSO4K[0]\n!WD_S_SeaS ,kgS ha-1 ,0.33333*WDEP_SSSO4JK[0]\n!TD_S_SeaS ,kgS ha-1 ,DD_S_SeaS[0] + WD_S_SeaS[0]\n\n!! Sulfur Deposition in milliequivalents Sulfur\n!DD_S_TOTMEQ ,meqS m-2 ,6.24*DD_S_TOT[0]\n!WD_S_TOTMEQ ,meqS m-2 ,6.24*WD_S_TOT[0]\n!TD_S_TOTMEQ ,meqS m-2 ,DD_S_TOTMEQ[0] + WD_S_TOTMEQ[0]\n!DD_S_SeaSMEQ ,meqS m-2 ,6.24*DD_S_SeaS[0]\n!WD_S_SeaSMEQ ,meqS m-2 ,6.24*WD_S_SeaS[0]\n!TD_S_SeaSMEQ ,meqS m-2 ,DD_S_SeaSMEQ[0] + WD_S_SeaSMEQ[0]\n" }, { "path": "CCTM/src/MECHS/saprc07tc_ae6_aq/SpecDef_saprc07tc_ae6_aq.txt", "content": "!#start YYYYJJJ 010000\r\n!#end YYYYJJJ 000000\r\n#layer 1\r\n\r\n/\r\n! This Species Definition File is for Use with the COMBINE tool built for \r\n! post-processing CMAQ output. It is compatible with CMAQv5.2.\r\n! Date: May 12 2017\r\n\r\n! Output variables that begin with 'PM' represent those in which a size cut was \r\n! applied based on modeled aerosol mode parameters. For example, PM25_NA is all \r\n! sodium that falls below 2.5 um diameter. These 'PM' variables are used for \r\n! comparisons at IMPROVE and CSN sites.\r\n\r\n! Output variables that begin with 'PMAMS' represent the mass that would have\r\n! been detected by an Aerosol Mass Spectrometer.\r\n\r\n! Output variables beginning with 'A' (aside from AIR_DENS) represent a \r\n! combination of aerosol species in which no size cut was applied. For example, \r\n! ASO4IJ is the sum of i-mode and j-mode sulfate. These 'A' variables are used \r\n! for comparisons at CASTNet sites.\r\n\r\n! Output variables beginning with 'PMC' refer to the coarse fraction of total PM,\r\n! computed by summing all modes and subtracting the PM2.5 fraction. These 'PMC'\r\n! variables are used for comparisons at SEARCH sites.\r\n\r\n! This Species Definition File is just for use with the uncoupled, offline CMAQ,\r\n! model. If you are processing WRF-CMAQ results, a different Species Definition\r\n! file is required.\r\n\r\n/ File [1]: CMAQ conc/aconc file\r\n/ File [2]: METCRO3D file\r\n/ File [3]: ELMO/AELMO file\r\n/ File [4]: METCRO2D file\r\n/\r\n/new species ,units ,expression\r\n \r\n!-------------------------------------------!\r\n!------------- Meteorology -----------------!\r\n!-------------------------------------------!\r\nAIR_DENS ,kg m-3 ,DENS[2]\r\nRH ,1 ,100.00*RH[3]\r\nSFC_TMP ,C ,(TEMP2[4]-273.15)\r\nPBLH ,m ,PBL[4]\r\nSOL_RAD ,W m-2 ,RGRND[4]\r\nprecip ,cm ,RC[4]>=0 ? RN[4]+RC[4] : RN[4]\r\nWSPD10 ,m s-1 ,WSPD10[4]\r\nWDIR10 ,deg ,WDIR10[4]\r\n\r\n!-------------------------------------------!\r\n!--------------- Gases ---------------------!\r\n!-------------------------------------------!\r\nALD2 ,ppbV ,1000.0*CCHO[1]\r\nBENZENE ,ppbV ,1000.0*BENZENE[1]\r\nCO ,ppbV ,1000.0*CO[1]\r\nETH ,ppbV ,1000.0*ETHENE[1]\r\nETHA ,ppbV ,1000.0*ALK1[1]\r\nFORM ,ppbV ,1000.0*HCHO[1]\r\nH2O2 ,ppbV ,1000.0*HO2H[1]\r\nHNO3 ,ppbV ,1000.0*HNO3[1]\r\nHNO3_UGM3 ,ug m-3 ,1000.0*(HNO3[1]*2.1756*DENS[2])\r\nHONO ,ppbV ,1000.0*HONO[1]\r\nHOX ,ppbV ,1000.0*(OH[1]+HO2[1])\r\nOH ,ppbV ,1000.0*(OH[1])\r\nISOP ,ppbV ,1000.0*ISOPRENE[1]\r\nN2O5 ,ppbV ,1000.0*N2O5[1]\r\nNH3 ,ppbV ,1000.0*NH3[1]\r\nNH3_UGM3 ,ug m-3 ,1000.0*(NH3[1]*0.5880*DENS[2])\r\nNHX ,ug m-3 ,1000.0*(NH3[1]*0.5880*DENS[2])+ANH4I[1]+ANH4J[1]+ANH4K[1]\r\nNO ,ppbV ,1000.0*NO[1]\r\nNO2 ,ppbV ,1000.0*NO2[1]\r\nNOX ,ppbV ,1000.0*(NO[1]+NO2[1])\r\nANO3_PPB ,ppbV ,(ANO3I[1]+ANO3J[1]+ANO3K[1])/(DENS[2]*(62.0/28.97))\r\nNTR ,ppbV ,1000.0*RNO3[1]\r\nPANs ,ppbV ,1000.0*(PAN[1]+PAN2[1]+PBZN[1]+MAPAN[1])\r\nCLNTOT ,ppbv ,1000.0*(CLNO[1]+CLONO[1]+CLNO2[1]+CLONO2[1])\r\nNOY ,ppbV ,1000.0*(NO2[1]+NO[1]+NO3[1]+ 2.0*N2O5[1]+HONO[1]+HNO3[1]+ \\\r\n HNO4[1]+RNO3[1]+NPHE[1])+PANs[0]+CLNTOT[0]+ANO3_PPB[0]\r\nO3 ,ppbV ,1000.0*O3[1]\r\nSO2 ,ppbV ,1000.0*SO2[1]\r\nSO2_UGM3 ,ug m-3 ,1000.0*(SO2[1]*2.2118*DENS[2])\r\nTERPTOT ,ppbV ,1000.0*(TERP[1]+APIN[1])\r\nAPIN ,ppbV ,1000.0*APIN[1]\r\nTOL ,ppbV ,1000.0*TOLUENE[1]\r\nXYL ,ppbV ,1000.0*(MXYL[1]+OXYL[1]+PXYL[1]) \r\nALK ,ppbC ,1000.*(2.*ALK1[1]+3.*ALK2[1]+4.*ALK3[1]+5.*ALK4[1]+8.*ALK5[1])\r\n\r\n!! Unused Gases. Presented Here for illustration. Users can uncomment\r\n!! them if they choose. \r\n!ALDX ,ppbV ,1000.0*ALDX[1] \r\n!HCHO ,ppbV ,1000.0*HCHO[1]\r\n!CLNO2 ,ppbV ,1000.0*CLNO2[1]\r\n!CLNTOT ,ppbv ,1000.0*(CLNO[1]+CLONO[1]+CLNO2[1]+CLONO2[1])\r\n!PAN ,ppbV ,1000.0*PAN[1]\r\n!PANX ,ppbV ,1000.0*PAN2[1]\r\n!PANTOT ,ppbV ,1000.0*(PAN[1]+PAN2[1]+PBZN[1]+MAPAN[1])\r\n!SULF ,ppbV ,1000.0*SULF[1]\r\n!ACIDS ,ppbC ,1000.*(3.*RCOOH[1]+2.*CCOOH[1]+HCOOH[1])\r\n!VOC ,ppbC ,1000.*(3.*ACETONE[1]+2.*ACETYLENE[1]+3.*ACROLEIN[1]+ \\\r\n! 4.*BACL[1]+4.*BUTADIENE13[1]+2.*CCHO[1]+7.*CRES[1]+ \\\r\n! 2.*ETHENE[1]+2.*ETOH[1]+2*GLY[1]+HCHO[1]+4.*MEK[1]+ \\\r\n! MEOH[1]+3.*MGLY[1]+4.*MVK[1]+5.*OLE1[1]+5.*OLE2[1]+ \\\r\n! 6.*PRD2[1]+3.*PROPENE[1]+3.*RCHO[1]+6.0*RNO3[1])+ \\\r\n! BIOG[0]+AROM[0]+ALK[0]+ACIDS[0]\r\n\r\n!-------------------------------------------!\r\n!--------------- Particles -----------------!\r\n!-------------------------------------------! \r\n!! Crustal Elements\r\nAFEJ ,ug m-3 ,AFEJ[1]\r\nAALJ ,ug m-3 ,AALJ[1]\r\nASIJ ,ug m-3 ,ASIJ[1]\r\nATIJ ,ug m-3 ,ATIJ[1]\r\nACAJ ,ug m-3 ,ACAJ[1]\r\nAMGJ ,ug m-3 ,AMGJ[1]\r\nAKJ ,ug m-3 ,AKJ[1]\r\nAMNJ ,ug m-3 ,AMNJ[1]\r\nASOILJ ,ug m-3 ,2.20*AALJ[1]+2.49*ASIJ[1]+1.63*ACAJ[1]+2.42*AFEJ[1]+1.94*ATIJ[1]\r\n\r\n!! Non-Crustal Inorganic Particle Species\r\nAHPLUSIJ ,ug m-3 ,PMF_HP[3]\r\nANAK ,ug m-3 ,PMC_NA[3]\r\nAMGK ,ug m-3 ,PMC_MG[3]\r\nAKK ,ug m-3 ,PMC_K[3]\r\nACAK ,ug m-3 ,PMC_CA[3]\r\nACLIJ ,ug m-3 ,PMF_CL[3]\r\nAECIJ ,ug m-3 ,PMF_EC[3]\r\nANAIJ ,ug m-3 ,PMF_NA[3]\r\nANO3IJ ,ug m-3 ,PMF_NO3[3]\r\nANO3K ,ug m-3 ,PMC_NO3[3]\r\nTNO3 ,ug m-3 ,TNO3[3]\r\nANH4IJ ,ug m-3 ,PMF_NH4[3]\r\nANH4K ,ug m-3 ,PMC_NH4[3]\r\nASO4IJ ,ug m-3 ,PMF_SO4[3]\r\nASO4K ,ug m-3 ,PMC_SO4[3]\r\n\r\n!! Organic Particle Species\r\nAPOCIJ ,ugC m-3 ,PMF_POC[3]\r\nAPOMIJ ,ug m-3 ,PMF_POA[3]\r\nASOCIJ ,ugC m-3 ,PMF_SOC[3]\r\nASOMIJ ,ug m-3 ,PMF_SOA[3]\r\nAOCIJ ,ugC m-3 ,PMF_OC[3]\r\nAOMIJ ,ug m-3 ,PMF_OA[3]\r\n\r\n!!! Anthropogenic-VOC Derived Organic Aerosol\r\nAORGAJ ,ug m-3 ,PMF_ASOA[3]\r\n\r\n!!! Biogenic-VOC Derived Organic Aerosol\r\nAORGBJ ,ug m-3 ,PMF_BSOA[3]\r\n\r\n!!! Cloud-Processed SOA\r\nAORGCJ ,ug m-3 ,AORGCJ[1]\r\n\r\n!!! OM/OC ratios\r\nAOMOCRAT_TOT , ,PMF_OMOC[3]\r\n\r\n!! Total PM Aggregates\r\nATOTI ,ug m-3 ,PMAIT_MASS[3]\r\nATOTJ ,ug m-3 ,PMACC_MASS[3]\r\nATOTK ,ug m-3 ,PMC_MASS[3]\r\nATOTIJ ,ug m-3 ,PMF_MASS[3]\r\nATOTIJK ,ug m-3 ,PM_MASS[3]\r\n\r\n!! Unspeciated PM including non-carbon organic mass\r\nAUNSPEC1IJ ,ug m-3 ,PMF_UN_IMPV1[3]\r\n!! Non-Carbon Organic Mass\r\nANCOMIJ ,ug m-3 ,PMF_NCOM[3]\r\n\r\n!! Unspeciated PM excluding non-carbon organic mass\r\nAUNSPEC2IJ ,ug m-3 ,PMF_UN_IMPV2[3]\r\n\r\n!! AMS Projection of Output Concentrations\r\nPMAMS_CL ,ug m-3 ,PMAMS_CL[3]\r\nPMAMS_NH4 ,ug m-3 ,PMAMS_NH4[3]\r\nPMAMS_NO3 ,ug m-3 ,PMAMS_NO3[3]\r\nPMAMS_OA ,ug m-3 ,PMAMS_OA[3]\r\nPMAMS_SO4 ,ug m-3 ,PMAMS_SO4[3]\r\n\r\n!! PM1 Cutoff Output\r\nPM1_TOT ,ug m-3 ,PM1[3]\r\n\r\n!! Unused PM1 Species. Included Here for demonstration\r\n!PM1_EC ,ug m-3 ,PM1_EC[3]\r\n!PM1_OC ,ugC m-3 ,PM1_OC[3]\r\n!PM1_OM ,ug m-3 ,PM1_OA[3]\r\n!PM1_SO4 ,ug m-3 ,PM1_SO4[3]\r\n!PM1_CL ,ug m-3 ,PM1_CL[3]\r\n!PM1_NA ,ug m-3 ,PM1_NA[3]\r\n!PM1_MG ,ug m-3 ,PM1_MG[3]\r\n!PM1_K ,ug m-3 ,PM1_K[3]\r\n!PM1_CA ,ug m-3 ,PM1_CA[3]\r\n!PM1_NH4 ,ug m-3 ,PM1_NH4[3]\r\n!PM1_NO3 ,ug m-3 ,PM1_NO3[3]\r\n!PM1_SOIL ,ug m-3 ,PM1_SOIL[3]\r\n!PM1_UNSPEC1 ,ug m-3 ,PM1_UNSP1[3]\r\n!PM1_UNSPCRS ,ug m-3 ,PM1_UNSPCRS[3]\r\n\r\n!! PM2.5 species computed using modeled size distribution\r\nPM25_HP ,ug m-3 ,PM25_HP[3]\r\nPM25_CL ,ug m-3 ,PM25_CL[3] \r\nPM25_EC ,ug m-3 ,PM25_EC[3] \r\nPM25_NA ,ug m-3 ,PM25_NA[3] \r\nPM25_MG ,ug m-3 ,PM25_MG[3] \r\nPM25_K ,ug m-3 ,PM25_K[3] \r\nPM25_CA ,ug m-3 ,PM25_CA[3] \r\nPM25_NH4 ,ug m-3 ,PM25_NH4[3] \r\nPM25_NO3 ,ug m-3 ,PM25_NO3[3] \r\nPM25_OC ,ugC m-3 ,PM25_OC[3] \r\nPM25_OM ,ug m-3 ,PM25_OA[3] \r\nPM25_SOIL ,ug m-3 ,PM25_SOIL[3] \r\nPM25_SO4 ,ug m-3 ,PM25_SO4[3] \r\nPM25_TOT ,ug m-3 ,PM25[3] \r\nPM25_UNSPEC1 ,ug m-3 ,PM25_UNSP1[3] \r\nPM25_UNSPCRS ,ug m-3 ,PM25_UNSPCRS[3] \r\n \r\n\r\n!! PM10.0 and Coarse-Sized Species\r\nPM10 ,ug m-3 ,PM10[3]\r\n \r\nPMC_CL ,ug m-3 ,PM25TO10_CL[3]\r\nPMC_NA ,ug m-3 ,PM25TO10_NA[3]\r\nPMC_NH4 ,ug m-3 ,PM25TO10_NH4[3] \r\nPMC_NO3 ,ug m-3 ,PM25TO10_NO3[3] \r\nPMC_SO4 ,ug m-3 ,PM25TO10_SO4[3] \r\nPMC_TOT ,ug m-3 ,PM25TO10[3] \r\n \r\n!! FRM PM Equivalent Calculation\r\nPMIJ_FRM ,ug m-3 ,PMF_FRM[3]\r\nPM25_FRM ,ug m-3 ,PM25_FRM[3]\r\n" }, { "path": "CCTM/src/MECHS/saprc07tc_ae6_aq/mech_saprc07tc_ae6_aq.def", "content": "\n! RCS file, release, date & time of last delta, author, state, [and locker]\n! $Header: /project/yoj/arc/MECHS/src/saprc07tc_ae6_aq/mech.def,v 1.1 2011/04/06 16:38:07 sjr Exp $ \n\n! what(1) key, module and SID; SCCS file; date and time of last delta:\n! %W% %P% %G% %U%\n\n! 01/20/2010: B. Hutzell created based on SAPRC07T Mechanism, version \"C\"\n! from William Carter dated 12-Jan-2010 09:56. The version from\n! Carter incoporates comments from CARB peer review and corrects \n! errors explained in Appendix E of the SAPRC07 report.\n! 1) Added species and reactions for secondary organic aerosol \n! production as represented in the CMAQ AERO5 alogrithm.\n! 2) Added reactive tracers for HCHO, CCHO, and ACROLEIN emissions\n! 01/26/2010 B. Hutzell corrected rate constants for reactions 11, 12, 20, BR18\n! and BR19 noticed by Sharon Shearer at UC Berkeley on Jan 22, 2010\n! For reactions 11 and 12, the fall off parameter changed from &1.0\n! to &1.33. For reaction 20, the rate constant went from 1.63e-10 to\n! 1.63e-10@-60. For reactions BR18 and BR19, the fall off parameter \n! changed from &1.0 to &1.41.\n! 03/04/2010 B. Hutzell changed the rate constant for N2O5 and H2O termmolecular\n! reactions to zero and cut the bimolecular rate constant for N2O5 and H2O\n! to 1.0e-22 from 2.2e-22 based on preferences in IUPAC 2010 data sheet\n! 05/30/2012 B. Hutzell corrected Reaction TR10 so product is CL not HCL\n! 05/31/2012 B. Hutzell changed OH + NO2 rate constant to recommndations given\n! in supplementary material for Mollner et al. (2010), Science 330, 646.\n! 07/15/14 B.Hutzell Added inorganic heterogeneous reactions for N2O5 and NO2, \n! oligomerization reactions for SOA species and aging reactions for primary \n! organic carbon and non-carbon aerosol species\n! B.Hutzell 11/3/14\n! -changed ALK5RXN yield in reaction from 1.0 to 0.47 based on SOA updates\n! suggested by H.Pye for cb05e51_ae6_aq\n! -Modified by splitting oligomerization into two reactions: one for each\n! Alkene SOA species. The new species were introduced in cb05e51_ae6_aq\n! Golam Sarwar 12/02/14\n! -Added ozone loss representing a simplification halogen reactions chemistry over sea-water\n! B.Hutzell 01/27/15\n! 1) implemented the nonaromatic changes found in the supplementary material for the paper:\n! Carter and Gookyoung (2013), Development of revised SAPRC aromatics mechanisms, Atm. Env., \n! vol. 77, pp 404-414, http://dx.doi.org/10.1016/j.atmosenv.2013.05.021.\n! (http://www.sciencedirect.com/science/article/pii/S1352231013003646)\n! a) modified reaction BR22, BR32, BR43, and BR55, the MECO3, RCO3, BZCO3, and MACO3 reactions\n! with HO2 based on IUPAC (2009) recommendations for HO2 + acyl radical reactions:\n! http://iupac.pole-ether.fr/htdocs/datasheets/pdf/HOx_VOC54_HO2_CH3CO3.pdf (last accessed Jan. 2015).\n! b) corrected reaction BE10, ACETYLENE + NO3, by setting the temperature power for k0 to zero\n! and setting temperature for kinf to -2\n! c) corrected reaction BE04, ETHENE + NO3, by setting the temperature power to zero\n! d) revised GLY reactions with OH and NO3 based IUPAC (2008) recomendation that introduces a new\n! peroxy radical species HCOCO3:\n! http://iupac.pole-ether.fr/htdocs/datasheets/pdf/HOx_VOC16_HO_(CHO)2.pdf (last accessed Jan. 2015).\n! 2) revised N2O5 + H2O heterogeneous reaction to yield HNO3 and CLNO2 mechanism based on Sarwar et al. (2014)\n! Importance of tropospheric ClNO2 chemistry across the Northern Hemisphere, GRL. vol. 41, pp. 4050-4058.\n! 3) changed the OH + NO2 reaction based on the recommendation of the IUPAC datasheet:\n! http://iupac.pole-ether.fr/htdocs/datasheets/pdf/NOx13_HO_NO2.pdf (last accessed Jan. 2015).\n! 4) removed species NO2EX, excited NO2, and its reactions\n!\n! changes added DJL \n! 20-August-2015: Luecken implementing Pye changes to alkane and PAH SOA\n! 1. added reaction SOAALK + OH = OH + ALKRXN # 2.70e-12@-374;\n! (removed ALK5RXN from BL05, now treated by ALKRXN in )\n! 2. changed BL15 to (ARO2MN+OH) and added BL15b (NAPHTHAL+OH) to separate\n! napthalene (which now makes PAHRO2) from ARO2 (which makes XYLRO2)\n! (removed ARO2 and added ARO2MN. Added NAPHTHAL and PAHRO2.)\n! 3. changed to (ARO2MN+CL) and (NAPHTHAL+CL)\n! 4. added reactions PAHRO2 + NO and PAHRO2 + HO2 to make\n! PAHNRXN and PAHHRXN. (Added PAHNRXN and PAHHRXN).\n! shortened some species names to 12 characters\n! 1. TRIMETH_BENZ124 changed to TMBENZ124\n! 2. ACROLEIN_PRIMARY changed to ACRO_PRIMARY\n! changes to produce isoprene hydroperoxide and epoxy diol (for SOA)\n! 1. represent peroxy radical reaction with HO2 separately (change yR6OOH to\n! yISOPOOH in BE06)\n! --> added species yISOPOOH\n! 2. added reactions to form ISOPOOH from yISOPOOH - copy reactions P181-P190\n! to P181a-P190a (makes ISOPOOH instead of R6OOH and removes yISOPOOH if \n! does not react with HO2)\n! --> added species ISOPOOH.\n! 3. added reactions of ISOPOOH to make IEPOX - copy reactions IS88, IS89,\n! and IS92 from saprc07tic here with the following changes to make species\n! compatible:\n! - change HC5 to RCHO\n! - change HACET to MEK\n! - change ISOPO2 (rxn IS89) to the products that of ISOPO2 (from Xie\n! mechanism, which are xMVK, xMACR, RO2C, xRNO3, xHCHO, xRCHO, xHO2,\n! yISOPOOH and ARO2MN (not a good way to represent just NO reaction)\n! - made 100% ISOPOOH from reaction of ISOPO2+HO2 (no acyl peroxy radical)\n! 4. added reactions of IEPOX from saprc07tic (IS90, IS91, IS96, IS112-IS114)\n! - left reactions unchanged except to substitute HACET with MEK\n! - added species IEPOXOO\n! added ISOPRXN to represent SOA formation from isoprene+NO3 (rxn BE08)\n! 5. added heterogeneous reaction that produces SOA as species AISO3 from\n! IEPOX\n! \n! 08/27/15 B.Hutzell update coefficients for ozone loss based on a parameterization \n! of marine halogen chemistry. Their changes recommended by G. Sarwar on 06/25/15\n! 05-25-17 B.Hutzell\n! 1. updated the oligomerization reactions to be consistent with the \n! saprc07tic_ae6_aq mechanism.\n! 03-04-21 G.Sarwar\n! updated \n\nSAPRC07TC_AE6_AQ \n\nELIMINATE =\nXN;\nXC;\nEND ELIMINATE\n\nREACTIONS [CM] =\n<1> NO2 = NO + O3P # 1.0/;\n<2> O3P + O2 + M = O3 # 5.68e-34^-2.60;\n<3> O3P + O3 = # 8.00e-12@2060;\n<4> O3P + NO = NO2 # 9.00e-32^-1.50&3.00e-11&0.60&1.0;\n<5> O3P + NO2 = NO # 5.50e-12@-188;\n<6> O3P + NO2 = NO3 # 2.50e-31^-1.80&2.20e-11^-0.70&0.60&1.0;\n<7> O3 + NO = NO2 # 3.00e-12@1500;\n<8> O3 + NO2 = NO3 # 1.40e-13@2470;\n<9> NO + NO3 = 2*NO2 # 1.80e-11@-110;\n<10> NO + NO + O2 = 2*NO2 # 3.30e-39@-530;\n<11> NO2 + NO3 = N2O5 # 3.60e-30^-4.10&1.90e-12^0.20&0.35&1.33;\n<12> N2O5 = NO2 + NO3 # 1.30e-03^-3.50@11000&9.70e+14^0.10@11080&0.35&1.33;\n<13> N2O5 + H2O = 2*HNO3 # 1.00e-22;\n<14> N2O5 + H2O + H2O = 2*HNO3 # 0.0e+00;\n!<14> N2O5 + H2O + H2O = 2*HNO3 # 1.80e-39;\n<15> NO2 + NO3 = NO + NO2 # 4.50e-14@1260;\n<16> NO3 = NO # 1.0/;\n<17> NO3 = NO2 + O3P # 1.0/;\n<18> O3 = O1D # 1.0/;\n<19> O3 = O3P # 1.0/;\n<20> O1D + H2O = 2*OH # 1.63e-10@-60;\n<21> O1D + M = O3P # 2.38e-11@-96;\n<22> OH + NO = HONO # 7.00e-31^-2.60&3.60e-11^-0.10&0.60&1.0;\n<23> HONO = OH + NO # 1.0/;\n<24> OH + HONO = NO2 # 2.50e-12@-260;\n<25> OH + NO2 = HNO3 # 3.2e-30^-4.50&3.0e-11&0.41&1.24;\n<26> OH + NO3 = HO2 + NO2 # 2.00e-11;\n<27> OH + HNO3 = NO3 %2 # 2.40e-14@-460&2.70e-17@-2199&6.50e-34@-1335;\n<28> HNO3 = OH + NO2 # 1.0/;\n<29> OH + CO = HO2 + CO2 %3 # 1.44e-13@0&3.43e-33@0;\n<30> OH + O3 = HO2 # 1.70e-12@940;\n<31> HO2 + NO = OH + NO2 # 3.60e-12@-270;\n<32> HO2 + NO2 = HNO4 # 2.00e-31^-3.40&2.90e-12^-1.10&0.60&1.0;\n<33> HNO4 = HO2 + NO2 # 3.72e-05^-2.40@10650&5.42e+15^-2.30@11170&0.60&1.0;\n<34> HNO4 = 0.61*HO2 + 0.61*NO2 + 0.39*OH + 0.39*NO3 # 1.0/;\n<35> HNO4 + OH = NO2 # 1.30e-12@-380;\n<36> HO2 + O3 = OH # 2.03e-16^4.57@-693;\n<37> HO2 + HO2 = HO2H %3 # 2.20e-13@-600&1.90e-33@-980;\n<38> HO2 + HO2 + H2O = HO2H %3 # 3.08e-34@-2800&2.66e-54@-3180;\n<39> NO3 + HO2 = 0.8*OH + 0.8*NO2 + 0.2*HNO3 # 4.00e-12;\n<40> NO3 + NO3 = 2*NO2 # 8.50e-13@2450;\n<41> HO2H = 2*OH # 1.0/;\n<42> HO2H + OH = HO2 # 1.80e-12;\n<43> OH + HO2 = # 4.80e-11@-250;\n<44> OH + SO2 = HO2 + SULF + SULRXN # 3.30e-31^-4.30&1.60e-12&0.60&1.0;\n<45> OH + H2 = HO2 # 7.70e-12@2100;\n MEO2 + NO = NO2 + HCHO + HO2 # 2.30e-12@-360;\n MEO2 + HO2 = COOH # 3.46e-13^0.36@-780;\n MEO2 + HO2 = HCHO # 3.34e-14^-3.53@-780;\n MEO2 + NO3 = HCHO + HO2 + NO2 # 1.30e-12;\n MEO2 + MEO2 = MEOH + HCHO # 6.39e-14^-1.80@-365;\n MEO2 + MEO2 = 2*HCHO + 2*HO2 # 7.40e-13@520;\n RO2C + NO = NO2 # 2.60e-12@-380;\n RO2C + HO2 = # 3.80e-13@-900;\n RO2C + NO3 = NO2 # 2.30e-12;\n RO2C + MEO2 = 0.5*HO2 + 0.75*HCHO + 0.25*MEOH # 2.00e-13;\n RO2C + RO2C = # 3.50e-14;\n RO2XC + NO = XN # 1.0*K;\n RO2XC + HO2 = # 1.0*K;\n RO2XC + NO3 = NO2 # 1.0*K;\n RO2XC + MEO2 = 0.5*HO2 + 0.75*HCHO + 0.25*MEOH # 1.0*K;\n RO2XC + RO2C = # 1.0*K;\n RO2XC + RO2XC = # 1.0*K;\n MECO3 + NO2 = PAN # 2.70e-28^-7.10&1.21e-11^-0.90&0.30&1.41;\n PAN = MECO3 + NO2 # 4.90e-03@12100&4.00e+16@13600&0.30&1.41;\n PAN = 0.6*MECO3 + 0.6*NO2 + 0.4*MEO2 + 0.4*CO2 + 0.4*NO3 # 1.0/;\n MECO3 + NO = MEO2 + CO2 + NO2 # 7.50e-12@-290;\n!revised acyl peroxy reaction with HO2 but splitting organic acid into two parts\n MECO3 + HO2 = 0.105*CCOOOH + 0.045*CCOOH + 0.15*O3 \n + 0.44*OH + 0.44*MEO2 + 0.44*CO2 # 5.20e-13@-980;\n MECO3 + NO3 = MEO2 + CO2 + NO2 # 1.0*K;\n MECO3 + MEO2 = 0.1*CCOOH + 0.1*HCHO + 0.9*HCHO + 0.9*HO2 + 0.9*MEO2 +\n 0.9*CO2 # 2.00e-12@-500;\n MECO3 + RO2C = MEO2 + CO2 # 4.40e-13@-1070;\n MECO3 + RO2XC = MEO2 + CO2 # 1.0*K;\n MECO3 + MECO3 = 2*MEO2 + 2*CO2 # 2.90e-12@-500;\n RCO3 + NO2 = PAN2 # 1.21e-11^-1.07@0;\n PAN2 = RCO3 + NO2 # 8.30e+16@13940;\n PAN2 = 0.6*RCO3 + 0.6*NO2 + 0.4*RO2C + 0.4*xHO2 + 0.4*yROOH + 0.4*xCCHO +\n 0.4*CO2 + 0.4*NO3 # 1.0/;\n RCO3 + NO = NO2 + RO2C + xHO2 + yROOH + xCCHO + CO2 # 6.70e-12@-340;\n!revised acyl peroxy reaction with HO2 but splitting organic acid into two parts\n RCO3 + HO2 = 0.3075*RCOOOH + .1025*RCOOH + 0.15*O3 \n + 0.44*OH + 0.44*xHO2 + 0.44*RO2C + 0.44*CO2 + 0.44*xCCHO \n + 0.44*yROOH # 1.0*K;\n RCO3 + NO3 = NO2 + RO2C + xHO2 + yROOH + xCCHO + CO2 # 1.0*K;\n RCO3 + MEO2 = HCHO + HO2 + RO2C + xHO2 + xCCHO + yROOH + CO2\n # 1.0*K;\n RCO3 + RO2C = RO2C + xHO2 + xCCHO + yROOH + CO2 # 1.0*K;\n RCO3 + RO2XC = RO2C + xHO2 + xCCHO + yROOH + CO2 # 1.0*K;\n RCO3 + MECO3 = 2*CO2 + MEO2 + RO2C + xHO2 + yROOH + xCCHO # 1.0*K;\n RCO3 + RCO3 = 2*RO2C + 2*xHO2 + 2*xCCHO + 2*yROOH + 2*CO2 # 1.0*K;\n BZCO3 + NO2 = PBZN # 1.37e-11;\n PBZN = BZCO3 + NO2 # 7.90e+16@14000;\n PBZN = 0.6*BZCO3 + 0.6*NO2 + 0.4*CO2 + 0.4*BZO + 0.4*RO2C + 0.4*NO3\n # 1.0/;\n BZCO3 + NO = NO2 + CO2 + BZO + RO2C # 1.0*K;\n!revised acyl peroxy reaction with HO2 but splitting organic acid into two parts\n BZCO3 + HO2 = .3075*RCOOOH + 0.1025*RCOOH + 0.15*O3 \n + 0.44*OH + 0.44*BZO + 0.44*RO2C + 0.44*CO2 # 1.0*K;\n BZCO3 + NO3 = NO2 + CO2 + BZO + RO2C # 1.0*K;\n BZCO3 + MEO2 = HCHO + HO2 + RO2C + BZO + CO2 # 1.0*K;\n BZCO3 + RO2C = RO2C + BZO + CO2 # 1.0*K;\n BZCO3 + RO2XC = RO2C + BZO + CO2 # 1.0*K;\n BZCO3 + MECO3 = 2*CO2 + MEO2 + BZO + RO2C # 1.0*K;\n BZCO3 + RCO3 = 2*CO2 + RO2C + xHO2 + yROOH + xCCHO + BZO + RO2C\n # 1.0*K;\n BZCO3 + BZCO3 = 2*BZO + 2*RO2C + 2*CO2 # 1.0*K;\n MACO3 + NO2 = MAPAN # 1.0*K;\n MAPAN = MACO3 + NO2 # 1.60e+16@13486;\n MAPAN = 0.6*MACO3 + 0.6*NO2 + 0.4*CO2 + 0.4*HCHO + 0.4*MECO3 + 0.4*NO3\n # 1.0/;\n MACO3 + NO = NO2 + CO2 + HCHO + MECO3 # 1.0*K;\n!revised acyl peroxy reaction with HO2 but splitting organic acid into two parts\n MACO3 + HO2 = 0.3075*RCOOOH + 0.1025*RCOOH + 0.15*O3 \n + 0.44*OH + 0.44*HCHO + 0.44*MECO3 + 0.44*CO2 # 1.0*K;\n MACO3 + NO3 = NO2 + CO2 + HCHO + MECO3 # 1.0*K;\n MACO3 + MEO2 = 2*HCHO + HO2 + CO2 + MECO3 # 1.0*K;\n MACO3 + RO2C = CO2 + HCHO + MECO3 # 1.0*K;\n MACO3 + RO2XC = CO2 + HCHO + MECO3 # 1.0*K;\n MACO3 + MECO3 = 2*CO2 + MEO2 + HCHO + MECO3 # 1.0*K;\n MACO3 + RCO3 = HCHO + MECO3 + RO2C + xHO2 + yROOH + xCCHO + 2*CO2\n # 1.0*K;\n MACO3 + BZCO3 = HCHO + MECO3 + BZO + RO2C + 2*CO2 # 1.0*K;\n MACO3 + MACO3 = 2*HCHO + 2*MECO3 + 2*CO2 # 1.0*K;\n TBUO + NO2 = RNO3 - 2*XC # 2.40e-11;\n TBUO = ACETONE + MEO2 # 7.50e+14@8152;\n BZO + NO2 = NPHE # 2.30e-11@-150;\n BZO + HO2 = CRES - 1*XC # 1.0*K;\n BZO = CRES + RO2C + xHO2 - 1*XC # 1.00e-03;\n xHO2 + NO = NO + HO2 # 1.0*K;\n xHO2 + HO2 = HO2 # 1.0*K;\n xHO2 + NO3 = NO3 + HO2 # 1.0*K;\n xHO2 + MEO2 = MEO2 + 0.5*HO2 # 1.0*K;\n xHO2 + RO2C = RO2C + 0.5*HO2 # 1.0*K;\n xHO2 + RO2XC = RO2XC + 0.5*HO2 # 1.0*K;\n xHO2 + MECO3 = MECO3 + HO2 # 1.0*K;\n xHO2 + RCO3 = RCO3 + HO2 # 1.0*K;\n xHO2 + BZCO3 = BZCO3 + HO2 # 1.0*K;\n xHO2 + MACO3 = MACO3 + HO2 # 1.0*K;\n xOH + NO = NO + OH # 1.0*K;\n xOH + HO2 = HO2 # 1.0*K;\n xOH + NO3 = NO3 + OH # 1.0*K;\n xOH + MEO2 = MEO2 + 0.5*OH # 1.0*K;\n xOH + RO2C = RO2C + 0.5*OH # 1.0*K;\n xOH + RO2XC = RO2XC + 0.5*OH # 1.0*K;\n xOH + MECO3 = MECO3 + OH # 1.0*K;\n xOH + RCO3 = RCO3 + OH # 1.0*K;\n xOH + BZCO3 = BZCO3 + OH # 1.0*K;\n xOH + MACO3 = MACO3 + OH # 1.0*K;\n xNO2 + NO = NO + NO2 # 1.0*K;\n xNO2 + HO2 = HO2 + XN # 1.0*K;\n xNO2 + NO3 = NO3 + NO2 # 1.0*K;\n xNO2 + MEO2 = MEO2 + 0.5*NO2 + 0.5*XN # 1.0*K;\n xNO2 + RO2C = RO2C + 0.5*NO2 + 0.5*XN # 1.0*K;\n xNO2 + RO2XC = RO2XC + 0.5*NO2 + 0.5*XN # 1.0*K;\n xNO2 + MECO3 = MECO3 + NO2 # 1.0*K;\n xNO2 + RCO3 = RCO3 + NO2 # 1.0*K;\n xNO2 + BZCO3 = BZCO3 + NO2 # 1.0*K;\n xNO2 + MACO3 = MACO3 + NO2 # 1.0*K;\n xMEO2 + NO = NO + MEO2 # 1.0*K;\n xMEO2 + HO2 = HO2 + XC # 1.0*K;\n xMEO2 + NO3 = NO3 + MEO2 # 1.0*K;\n xMEO2 + MEO2 = MEO2 + 0.5*MEO2 + 0.5*XC # 1.0*K;\n xMEO2 + RO2C = RO2C + 0.5*MEO2 + 0.5*XC # 1.0*K;\n xMEO2 + RO2XC = RO2XC + 0.5*MEO2 + 0.5*XC # 1.0*K;\n xMEO2 + MECO3 = MECO3 + MEO2 # 1.0*K;\n xMEO2 + RCO3 = RCO3 + MEO2 # 1.0*K;\n xMEO2 + BZCO3 = BZCO3 + MEO2 # 1.0*K;\n xMEO2 + MACO3 = MACO3 + MEO2 # 1.0*K;\n xMECO3 + NO = NO + MECO3 # 1.0*K;\n xMECO3 + HO2 = HO2 + 2*XC # 1.0*K;\n xMECO3 + NO3 = NO3 + MECO3 # 1.0*K;\n xMECO3 + MEO2 = MEO2 + 0.5*MECO3 + XC # 1.0*K;\n xMECO3 + RO2C = RO2C + 0.5*MECO3 + XC # 1.0*K;\n xMECO3 + RO2XC = RO2XC + 0.5*MECO3 + XC # 1.0*K;\n xMECO3 + MECO3 = MECO3 + MECO3 # 1.0*K;\n xMECO3 + RCO3 = RCO3 + MECO3 # 1.0*K;\n xMECO3 + BZCO3 = BZCO3 + MECO3 # 1.0*K;\n xMECO3 + MACO3 = MACO3 + MECO3 # 1.0*K;\n xRCO3 + NO = NO + RCO3 # 1.0*K;\n xRCO3 + HO2 = HO2 + 3*XC # 1.0*K;\n xRCO3 + NO3 = NO3 + RCO3 # 1.0*K;\n xRCO3 + MEO2 = MEO2 + 0.5*RCO3 + 1.5*XC # 1.0*K;\n xRCO3 + RO2C = RO2C + 0.5*RCO3 + 1.5*XC # 1.0*K;\n xRCO3 + RO2XC = RO2XC + 0.5*RCO3 + 1.5*XC # 1.0*K;\n xRCO3 + MECO3 = MECO3 + RCO3 # 1.0*K;\n xRCO3 + RCO3 = RCO3 + RCO3 # 1.0*K;\n xRCO3 + BZCO3 = BZCO3 + RCO3 # 1.0*K;\n xRCO3 + MACO3 = MACO3 + RCO3 # 1.0*K;\n xMACO3 + NO = NO + MACO3 # 1.0*K;\n xMACO3 + HO2 = HO2 + 4*XC # 1.0*K;\n xMACO3 + NO3 = NO3 + MACO3 # 1.0*K;\n xMACO3 + MEO2 = MEO2 + 0.5*MACO3 + 2*XC # 1.0*K;\n xMACO3 + RO2C = RO2C + 0.5*MACO3 + 2*XC # 1.0*K;\n xMACO3 + RO2XC = RO2XC + 0.5*MACO3 + 2*XC # 1.0*K;\n xMACO3 + MECO3 = MECO3 + MACO3 # 1.0*K;\n xMACO3 + RCO3 = RCO3 + MACO3 # 1.0*K;\n xMACO3 + BZCO3 = BZCO3 + MACO3 # 1.0*K;\n xMACO3 + MACO3 = MACO3 + MACO3 # 1.0*K;\n xTBUO + NO = NO + TBUO # 1.0*K;\n xTBUO + HO2 = HO2 + 4*XC # 1.0*K;\n xTBUO + NO3 = NO3 + TBUO # 1.0*K;\n xTBUO + MEO2 = MEO2 + 0.5*TBUO + 2*XC # 1.0*K;\n xTBUO + RO2C = RO2C + 0.5*TBUO + 2*XC # 1.0*K;\n xTBUO + RO2XC = RO2XC + 0.5*TBUO + 2*XC # 1.0*K;\n xTBUO + MECO3 = MECO3 + TBUO # 1.0*K;\n xTBUO + RCO3 = RCO3 + TBUO # 1.0*K;\n xTBUO + BZCO3 = BZCO3 + TBUO # 1.0*K;\n xTBUO + MACO3 = MACO3 + TBUO # 1.0*K;\n xCO + NO = NO + CO # 1.0*K;\n xCO + HO2 = HO2 + XC # 1.0*K;\n xCO + NO3 = NO3 + CO # 1.0*K;\n xCO + MEO2 = MEO2 + 0.5*CO + 0.5*XC # 1.0*K;\n xCO + RO2C = RO2C + 0.5*CO + 0.5*XC # 1.0*K;\n xCO + RO2XC = RO2XC + 0.5*CO + 0.5*XC # 1.0*K;\n xCO + MECO3 = MECO3 + CO # 1.0*K;\n xCO + RCO3 = RCO3 + CO # 1.0*K;\n xCO + BZCO3 = BZCO3 + CO # 1.0*K;\n xCO + MACO3 = MACO3 + CO # 1.0*K;\n HCHO = 2*HO2 + CO # 1.0/;\n HCHO = CO # 1.0/;\n HCHO + OH = HO2 + CO # 5.40e-12@-135;\n HCHO + NO3 = HNO3 + HO2 + CO # 2.00e-12@2431;\n CCHO + OH = MECO3 # 4.40e-12@-365;\n CCHO = CO + HO2 + MEO2 # 1.0/;\n CCHO + NO3 = HNO3 + MECO3 # 1.40e-12@1860;\n RCHO + OH = 0.965*RCO3 + 0.035*RO2C + 0.035*xHO2 + 0.035*xCO +\n 0.035*xCCHO + 0.035*yROOH # 5.10e-12@-405;\n RCHO = RO2C + xHO2 + yROOH + xCCHO + CO + HO2 # 1.0/;\n RCHO + NO3 = HNO3 + RCO3 # 1.40e-12@1601;\n ACETONE + OH = RO2C + xMECO3 + xHCHO + yROOH # 4.56e-14^3.65@-429;\n ACETONE = 0.62*MECO3 + 1.38*MEO2 + 0.38*CO # 5.00e-1/;\n MEK + OH = 0.967*RO2C + 0.039*RO2XC + 0.039*zRNO3 + 0.376*xHO2 +\n 0.51*xMECO3 + 0.074*xRCO3 + 0.088*xHCHO + 0.504*xCCHO + 0.376*xRCHO +\n yROOH + 0.3*XC # 1.30e-12^2.00@25;\n MEK = MECO3 + RO2C + xHO2 + xCCHO + yROOH # 1.75e-1/;\n MEOH + OH = HCHO + HO2 # 2.85e-12@345;\n HCOOH + OH = HO2 + CO2 # 4.50e-13;\n CCOOH + OH = 0.509*MEO2 + 0.491*RO2C + 0.509*CO2 + 0.491*xHO2 +\n 0.491*xMGLY + 0.491*yROOH - 0.491*XC # 4.20e-14@-855;\n RCOOH + OH = RO2C + xHO2 + 0.143*CO2 + 0.142*xCCHO + 0.4*xRCHO +\n 0.457*xBACL + yROOH - 0.455*XC # 1.20e-12;\n COOH + OH = 0.3*HCHO + 0.3*OH + 0.7*MEO2 # 3.80e-12@-200;\n COOH = HCHO + HO2 + OH # 1.0/;\n ROOH + OH = 0.744*OH + 0.251*RO2C + 0.004*RO2XC + 0.004*zRNO3 +\n 0.744*RCHO + 0.239*xHO2 + 0.012*xOH + 0.012*xHCHO + 0.012*xCCHO +\n 0.205*xRCHO + 0.034*xPROD2 + 0.256*yROOH - 0.115*XC # 2.50e-11;\n ROOH = RCHO + HO2 + OH # 1.0/;\n R6OOH + OH = 0.84*OH + 0.222*RO2C + 0.029*RO2XC + 0.029*zRNO3 +\n 0.84*PRD2 + 0.09*xHO2 + 0.041*xOH + 0.02*xCCHO + 0.075*xRCHO +\n 0.084*xPROD2 + 0.16*yROOH + 0.02*XC # 5.60e-11;\n R6OOH = OH + 0.142*HO2 + 0.782*RO2C + 0.077*RO2XC + 0.077*zRNO3 +\n 0.085*RCHO + 0.142*PRD2 + 0.782*xHO2 + 0.026*xCCHO + 0.058*xRCHO +\n 0.698*xPROD2 + 0.858*yR6OOH + 0.017*XC # 1.0/;\n RAOOH + OH = 0.139*OH + 0.148*HO2 + 0.589*RO2C + 0.124*RO2XC +\n 0.124*zRNO3 + 0.074*PRD2 + 0.147*MGLY + 0.139*IPRD + 0.565*xHO2 +\n 0.024*xOH + 0.448*xRCHO + 0.026*xGLY + 0.03*xMEK + 0.252*xMGLY +\n 0.073*xAFG1 + 0.073*xAFG2 + 0.713*yR6OOH + 2.674*XC # 1.41e-10;\n RAOOH = OH + HO2 + 0.5*GLY + 0.5*MGLY + 0.5*AFG1 + 0.5*AFG2 + 0.5*XC\n # 1.0/;\n GLY = 2*CO + 2*HO2 # 1.0/;\n GLY = HCHO + CO # 1.0/;\n! changed GLY reactions with OH and NO3\n GLY + OH = 0.70*HO2 + 1.40*CO + 0.3*HCOCO3 # 3.10e-12@-342.2;\n GLY + NO3 = HNO3 + 0.70*HO2 + 1.40*CO + 0.3*HCOCO3\n # 2.80e-12@2390;\n MGLY = HO2 + CO + MECO3 # 1.0/;\n MGLY + OH = CO + MECO3 # 1.50e-11;\n MGLY + NO3 = HNO3 + CO + MECO3 # 1.40e-12@1895;\n BACL = 2*MECO3 # 1.0/;\n CRES + OH = 0.2*BZO + 0.8*RO2C + 0.8*xHO2 + 0.8*yR6OOH + 0.25*xMGLY +\n 5.05*XC # 1.70e-12@-950;\n CRES + NO3 = HNO3 + BZO + XC # 1.40e-11;\n NPHE + OH = BZO + XN # 3.50e-12;\n NPHE = HONO + 6*XC # 1.50e-3/;\n NPHE = 6*XC + XN # 1.50e-2/;\n BALD + OH = BZCO3 # 1.20e-11;\n BALD = 7*XC # 6.00e-2/;\n BALD + NO3 = HNO3 + BZCO3 # 1.34e-12@1860;\n AFG1 + OH = 0.217*MACO3 + 0.723*RO2C + 0.06*RO2XC + 0.06*zRNO3 +\n 0.521*xHO2 + 0.201*xMECO3 + 0.334*xCO + 0.407*xRCHO + 0.129*xMEK +\n 0.107*xGLY + 0.267*xMGLY + 0.783*yR6OOH + 0.284*XC # 7.40e-11;\n AFG1 + O3 = 0.826*OH + 0.522*HO2 + 0.652*RO2C + 0.522*CO + 0.174*CO2 +\n 0.432*GLY + 0.568*MGLY + 0.652*xRCO3 + 0.652*xHCHO + 0.652*yR6OOH -\n 0.872*XC # 9.66e-18;\n AFG1 = 1.023*HO2 + 0.173*MEO2 + 0.305*MECO3 + 0.5*MACO3 + 0.695*CO +\n 0.195*GLY + 0.305*MGLY + 0.217*XC # 1.0/;\n AFG2 + OH = 0.217*MACO3 + 0.723*RO2C + 0.06*RO2XC + 0.06*zRNO3 +\n 0.521*xHO2 + 0.201*xMECO3 + 0.334*xCO + 0.407*xRCHO + 0.129*xMEK +\n 0.107*xGLY + 0.267*xMGLY + 0.783*yR6OOH + 0.284*XC # 7.40e-11;\n AFG2 + O3 = 0.826*OH + 0.522*HO2 + 0.652*RO2C + 0.522*CO + 0.174*CO2 +\n 0.432*GLY + 0.568*MGLY + 0.652*xRCO3 + 0.652*xHCHO + 0.652*yR6OOH -\n 0.872*XC # 9.66e-18;\n AFG2 = PRD2 - 1*XC # 1.0/;\n AFG3 + OH = 0.206*MACO3 + 0.733*RO2C + 0.117*RO2XC + 0.117*zRNO3 +\n 0.561*xHO2 + 0.117*xMECO3 + 0.114*xCO + 0.274*xGLY + 0.153*xMGLY +\n 0.019*xBACL + 0.195*xAFG1 + 0.195*xAFG2 + 0.231*xIPRD + 0.794*yR6OOH +\n 0.938*XC # 9.35e-11;\n AFG3 + O3 = 0.471*OH + 0.554*HO2 + 0.013*MECO3 + 0.258*RO2C +\n 0.007*RO2XC + 0.007*zRNO3 + 0.58*CO + 0.19*CO2 + 0.366*GLY +\n 0.184*MGLY + 0.35*AFG1 + 0.35*AFG2 + 0.139*AFG3 + 0.003*MACR +\n 0.004*MVK + 0.003*IPRD + 0.095*xHO2 + 0.163*xRCO3 + 0.163*xHCHO +\n 0.095*xMGLY + 0.264*yR6OOH - 0.575*XC # 1.43e-17;\n MACR + OH = 0.5*MACO3 + 0.5*RO2C + 0.5*xHO2 + 0.416*xCO + 0.084*xHCHO +\n 0.416*xMEK + 0.084*xMGLY + 0.5*yROOH - 0.416*XC # 8.00e-12@-380;\n MACR + O3 = 0.208*OH + 0.108*HO2 + 0.1*RO2C + 0.45*CO + 0.117*CO2 +\n 0.1*HCHO + 0.9*MGLY + 0.333*HCOOH + 0.1*xRCO3 + 0.1*xHCHO + 0.1*yROOH -\n 0.1*XC # 1.40e-15@2100;\n MACR + NO3 = 0.5*MACO3 + 0.5*RO2C + 0.5*HNO3 + 0.5*xHO2 + 0.5*xCO +\n 0.5*yROOH + 1.5*XC + 0.5*XN # 1.50e-12@1815;\n MACR + O3P = RCHO + XC # 6.34e-12;\n MACR = 0.33*OH + 0.67*HO2 + 0.34*MECO3 + 0.33*MACO3 + 0.33*RO2C +\n 0.67*CO + 0.34*HCHO + 0.33*xMECO3 + 0.33*xHCHO + 0.33*yROOH\n # 1.0/;\n MVK + OH = 0.975*RO2C + 0.025*RO2XC + 0.025*zRNO3 + 0.3*xHO2 +\n 0.675*xMECO3 + 0.3*xHCHO + 0.675*xHOCCHO + 0.3*xMGLY + yROOH -\n 0.05*XC # 2.60e-12@-610;\n MVK + O3 = 0.164*OH + 0.064*HO2 + 0.05*RO2C + 0.05*xHO2 + 0.475*CO +\n 0.124*CO2 + 0.05*HCHO + 0.95*MGLY + 0.351*HCOOH + 0.05*xRCO3 +\n 0.05*xHCHO + 0.05*yROOH - 0.05*XC # 8.50e-16@1520;\n MVK + O3P = 0.45*RCHO + 0.55*MEK + 0.45*XC # 4.32e-12;\n MVK = 0.4*MEO2 + 0.6*CO + 0.6*PRD2 + 0.4*MACO3 - 2.2*XC # 1.0/;\n IPRD + OH = 0.289*MACO3 + 0.67*RO2C + 0.67*xHO2 + 0.041*RO2XC +\n 0.041*zRNO3 + 0.336*xCO + 0.055*xHCHO + 0.129*xHOCCHO + 0.013*xRCHO +\n 0.15*xMEK + 0.332*xPROD2 + 0.15*xGLY + 0.174*xMGLY - 0.504*XC +\n 0.711*yR6OOH # 6.19e-11;\n IPRD + O3 = 0.285*OH + 0.4*HO2 + 0.048*RO2C + 0.048*xRCO3 + 0.498*CO +\n 0.14*CO2 + 0.124*HCHO + 0.21*MEK + 0.023*GLY + 0.742*MGLY + 0.1*HCOOH +\n 0.372*RCOOH + 0.047*xHOCCHO + 0.001*xHCHO + 0.048*yR6OOH - 0.329*XC\n # 4.18e-18;\n IPRD + NO3 = 0.15*MACO3 + 0.15*HNO3 + 0.799*RO2C + 0.799*xHO2 +\n 0.051*RO2XC + 0.051*zRNO3 + 0.572*xCO + 0.227*xHCHO + 0.218*xRCHO +\n 0.008*xMGLY + 0.572*xRNO3 + 0.85*yR6OOH + 0.278*XN - 0.815*XC\n # 1.00e-13;\n IPRD = 1.233*HO2 + 0.467*MECO3 + 0.3*RCO3 + 1.233*CO + 0.3*HCHO +\n 0.467*HOCCHO + 0.233*MEK - 0.233*XC # 1.0/;\n PRD2 + OH = 0.472*HO2 + 0.379*xHO2 + 0.029*xMECO3 + 0.049*xRCO3 +\n 0.473*RO2C + 0.071*RO2XC + 0.071*zRNO3 + 0.002*HCHO + 0.211*xHCHO +\n 0.001*CCHO + 0.083*xCCHO + 0.143*RCHO + 0.402*xRCHO + 0.115*xMEK +\n 0.329*PRD2 + 0.007*xPROD2 + 0.528*yR6OOH + 0.877*XC # 1.55e-11;\n PRD2 = 0.913*xHO2 + 0.4*MECO3 + 0.6*RCO3 + 1.59*RO2C + 0.087*RO2XC +\n 0.087*zRNO3 + 0.303*xHCHO + 0.163*xCCHO + 0.78*xRCHO + yR6OOH -\n 0.091*XC # 4.86e-3/;\n RNO3 + OH = 0.189*HO2 + 0.305*xHO2 + 0.019*NO2 + 0.313*xNO2 +\n 0.976*RO2C + 0.175*RO2XC + 0.175*zRNO3 + 0.011*xHCHO + 0.429*xCCHO +\n 0.001*RCHO + 0.036*xRCHO + 0.004*xACETONE + 0.01*MEK + 0.17*xMEK +\n 0.008*PRD2 + 0.031*xPROD2 + 0.189*RNO3 + 0.305*xRNO3 + 0.157*yROOH +\n 0.636*yR6OOH + 0.174*XN + 0.04*XC # 7.20e-12;\n RNO3 = 0.344*HO2 + 0.554*xHO2 + NO2 + 0.721*RO2C + 0.102*RO2XC +\n 0.102*zRNO3 + 0.074*HCHO + 0.061*xHCHO + 0.214*CCHO + 0.23*xCCHO +\n 0.074*RCHO + 0.063*xRCHO + 0.008*xACETONE + 0.124*MEK + 0.083*xMEK +\n 0.19*PRD2 + 0.261*xPROD2 + 0.066*yROOH + 0.591*yR6OOH + 0.396*XC\n # 1.0/;\n HOCCHO + OH = MECO3 # 1.0*K;\n HOCCHO = CO + 2*HO2 + HCHO # 1.0/;\n HOCCHO + NO3 = HNO3 + MECO3 # 1.0*K;\n ACROLEIN + OH = 0.25*xHO2 + 0.75*MACO3 + 0.25*RO2C + 0.167*xCO +\n 0.083*xHCHO + 0.167*xCCHO + 0.083*xGLY + 0.25*yROOH - 0.75*XC\n # 1.99e-11;\n ACROLEIN + O3 = 0.83*HO2 + 0.33*OH + 1.005*CO + 0.31*CO2 + 0.5*HCHO +\n 0.185*HCOOH + 0.5*GLY # 1.40e-15@2528;\n ACROLEIN + NO3 = 0.031*xHO2 + 0.967*MACO3 + 0.031*RO2C + 0.002*RO2XC +\n 0.002*zRNO3 + 0.967*HNO3 + 0.031*xCO + 0.031*xRNO3 + 0.033*yROOH +\n 0.002*XN - 1.097*XC # 1.18e-15;\n ACROLEIN + O3P = RCHO # 2.37e-12;\n ACROLEIN = 1.066*HO2 + 0.178*OH + 0.234*MEO2 + 0.33*MACO3 + 1.188*CO +\n 0.102*CO2 + 0.34*HCHO + 0.05*CCOOH - 0.284*XC # 1.0/;\n CCOOOH + OH = 0.98*MECO3 + 0.02*RO2C + 0.02*CO2 + 0.02*xOH + 0.02*xHCHO +\n 0.02*yROOH # 5.28e-12;\n CCOOOH = MEO2 + CO2 + OH # 1.0/;\n RCOOOH + OH = 0.806*RCO3 + 0.194*RO2C + 0.194*yROOH + 0.11*CO2 +\n 0.11*xOH + 0.11*xCCHO + 0.084*xHO2 + 0.084*xRCHO # 6.42e-12;\n RCOOOH = xHO2 + xCCHO + yROOH + CO2 + OH # 1.0/;\n!added reactions for HCOCO3, the Peroxy radical from H-abstraction of glyoxal, GLY\n\n HCOCO3 + NO = HO2 + CO + CO2 + NO2 # 1.0*K;\n HCOCO3 + NO2 = HO2 + CO + CO2 + NO3 # 1.0*K; \n HCOCO3 + HO2 = 0.44*OH + 0.44*HO2 + 0.44*CO + 0.44*CO2 + 0.56*GLY \n + 0.15*O3 # 1.0*K; \n\n xHCHO + NO = NO + HCHO # 1.0*K;\n xHCHO + HO2 = HO2 + XC # 1.0*K;\n xHCHO + NO3 = NO3 + HCHO # 1.0*K;\n xHCHO + MEO2 = MEO2 + 0.5*HCHO + 0.5*XC # 1.0*K;\n xHCHO + RO2C = RO2C + 0.5*HCHO + 0.5*XC # 1.0*K;\n xHCHO + RO2XC = RO2XC + 0.5*HCHO + 0.5*XC # 1.0*K;\n xHCHO + MECO3 = MECO3 + HCHO # 1.0*K;\n xHCHO + RCO3 = RCO3 + HCHO # 1.0*K;\n xHCHO + BZCO3 = BZCO3 + HCHO # 1.0*K;\n xHCHO + MACO3 = MACO3 + HCHO # 1.0*K;\n xCCHO + NO = NO + CCHO # 1.0*K;\n xCCHO + HO2 = HO2 + 2*XC # 1.0*K;\n xCCHO + NO3 = NO3 + CCHO # 1.0*K;\n xCCHO + MEO2 = MEO2 + 0.5*CCHO + XC # 1.0*K;\n xCCHO + RO2C = RO2C + 0.5*CCHO + XC # 1.0*K;\n xCCHO + RO2XC = RO2XC + 0.5*CCHO + XC # 1.0*K;\n xCCHO + MECO3 = MECO3 + CCHO # 1.0*K;\n xCCHO + RCO3 = RCO3 + CCHO # 1.0*K;\n xCCHO + BZCO3 = BZCO3 + CCHO # 1.0*K;\n xCCHO + MACO3 = MACO3 + CCHO # 1.0*K;\n xRCHO + NO = NO + RCHO # 1.0*K;\n xRCHO + HO2 = HO2 + 3*XC # 1.0*K;\n xRCHO + NO3 = NO3 + RCHO # 1.0*K;\n xRCHO + MEO2 = MEO2 + 0.5*RCHO + 1.5*XC # 1.0*K;\n xRCHO + RO2C = RO2C + 0.5*RCHO + 1.5*XC # 1.0*K;\n xRCHO + RO2XC = RO2XC + 0.5*RCHO + 1.5*XC # 1.0*K;\n xRCHO + MECO3 = MECO3 + RCHO # 1.0*K;\n xRCHO + RCO3 = RCO3 + RCHO # 1.0*K;\n xRCHO + BZCO3 = BZCO3 + RCHO # 1.0*K;\n xRCHO + MACO3 = MACO3 + RCHO # 1.0*K;\n xACETONE + NO = NO + ACETONE # 1.0*K;\n xACETONE + HO2 = HO2 + 3*XC # 1.0*K;\n xACETONE + NO3 = NO3 + ACETONE # 1.0*K;\n xACETONE + MEO2 = MEO2 + 0.5*ACETONE + 1.5*XC # 1.0*K;\n xACETONE + RO2C = RO2C + 0.5*ACETONE + 1.5*XC # 1.0*K;\n xACETONE + RO2XC = RO2XC + 0.5*ACETONE + 1.5*XC # 1.0*K;\n xACETONE + MECO3 = MECO3 + ACETONE # 1.0*K;\n xACETONE + RCO3 = RCO3 + ACETONE # 1.0*K;\n xACETONE + BZCO3 = BZCO3 + ACETONE # 1.0*K;\n xACETONE + MACO3 = MACO3 + ACETONE # 1.0*K;\n xMEK + NO = NO + MEK # 1.0*K;\n xMEK + HO2 = HO2 + 4*XC # 1.0*K;\n xMEK + NO3 = NO3 + MEK # 1.0*K;\n xMEK + MEO2 = MEO2 + 0.5*MEK + 2*XC # 1.0*K;\n xMEK + RO2C = RO2C + 0.5*MEK + 2*XC # 1.0*K;\n xMEK + RO2XC = RO2XC + 0.5*MEK + 2*XC # 1.0*K;\n xMEK + MECO3 = MECO3 + MEK # 1.0*K;\n xMEK + RCO3 = RCO3 + MEK # 1.0*K;\n xMEK + BZCO3 = BZCO3 + MEK # 1.0*K;\n xMEK + MACO3 = MACO3 + MEK # 1.0*K;\n xPROD2 + NO = NO + PRD2 # 1.0*K;\n xPROD2 + HO2 = HO2 + 6*XC # 1.0*K;\n xPROD2 + NO3 = NO3 + PRD2 # 1.0*K;\n xPROD2 + MEO2 = MEO2 + 0.5*PRD2 + 3*XC # 1.0*K;\n xPROD2 + RO2C = RO2C + 0.5*PRD2 + 3*XC # 1.0*K;\n xPROD2 + RO2XC = RO2XC + 0.5*PRD2 + 3*XC # 1.0*K;\n xPROD2 + MECO3 = MECO3 + PRD2 # 1.0*K;\n xPROD2 + RCO3 = RCO3 + PRD2 # 1.0*K;\n xPROD2 + BZCO3 = BZCO3 + PRD2 # 1.0*K;\n xPROD2 + MACO3 = MACO3 + PRD2 # 1.0*K;\n xGLY + NO = NO + GLY # 1.0*K;\n xGLY + HO2 = HO2 + 2*XC # 1.0*K;\n xGLY + NO3 = NO3 + GLY # 1.0*K;\n xGLY + MEO2 = MEO2 + 0.5*GLY + XC # 1.0*K;\n xGLY + RO2C = RO2C + 0.5*GLY + XC # 1.0*K;\n xGLY + RO2XC = RO2XC + 0.5*GLY + XC # 1.0*K;\n xGLY + MECO3 = MECO3 + GLY # 1.0*K;\n xGLY + RCO3 = RCO3 + GLY # 1.0*K;\n xGLY + BZCO3 = BZCO3 + GLY # 1.0*K;\n xGLY + MACO3 = MACO3 + GLY # 1.0*K;\n xMGLY + NO = NO + MGLY # 1.0*K;\n xMGLY + HO2 = HO2 + 3*XC # 1.0*K;\n xMGLY + NO3 = NO3 + MGLY # 1.0*K;\n xMGLY + MEO2 = MEO2 + 0.5*MGLY + 1.5*XC # 1.0*K;\n xMGLY + RO2C = RO2C + 0.5*MGLY + 1.5*XC # 1.0*K;\n xMGLY + RO2XC = RO2XC + 0.5*MGLY + 1.5*XC # 1.0*K;\n xMGLY + MECO3 = MECO3 + MGLY # 1.0*K;\n xMGLY + RCO3 = RCO3 + MGLY # 1.0*K;\n xMGLY + BZCO3 = BZCO3 + MGLY # 1.0*K;\n xMGLY + MACO3 = MACO3 + MGLY # 1.0*K;\n xBACL + NO = NO + BACL # 1.0*K;\n xBACL + HO2 = HO2 + 4*XC # 1.0*K;\n xBACL + NO3 = NO3 + BACL # 1.0*K;\n xBACL + MEO2 = MEO2 + 0.5*BACL + 2*XC # 1.0*K;\n xBACL + RO2C = RO2C + 0.5*BACL + 2*XC # 1.0*K;\n xBACL + RO2XC = RO2XC + 0.5*BACL + 2*XC # 1.0*K;\n xBACL + MECO3 = MECO3 + BACL # 1.0*K;\n xBACL + RCO3 = RCO3 + BACL # 1.0*K;\n xBACL + BZCO3 = BZCO3 + BACL # 1.0*K;\n xBACL + MACO3 = MACO3 + BACL # 1.0*K;\n xBALD + NO = NO + BALD # 1.0*K;\n xBALD + HO2 = HO2 + 7*XC # 1.0*K;\n xBALD + NO3 = NO3 + BALD # 1.0*K;\n xBALD + MEO2 = MEO2 + 0.5*BALD + 3.5*XC # 1.0*K;\n xBALD + RO2C = RO2C + 0.5*BALD + 3.5*XC # 1.0*K;\n xBALD + RO2XC = RO2XC + 0.5*BALD + 3.5*XC # 1.0*K;\n xBALD + MECO3 = MECO3 + BALD # 1.0*K;\n xBALD + RCO3 = RCO3 + BALD # 1.0*K;\n xBALD + BZCO3 = BZCO3 + BALD # 1.0*K;\n xBALD + MACO3 = MACO3 + BALD # 1.0*K;\n xAFG1 + NO = NO + AFG1 # 1.0*K;\n xAFG1 + HO2 = HO2 + 5*XC # 1.0*K;\n xAFG1 + NO3 = NO3 + AFG1 # 1.0*K;\n xAFG1 + MEO2 = MEO2 + 0.5*AFG1 + 2.5*XC # 1.0*K;\n xAFG1 + RO2C = RO2C + 0.5*AFG1 + 2.5*XC # 1.0*K;\n xAFG1 + RO2XC = RO2XC + 0.5*AFG1 + 2.5*XC # 1.0*K;\n xAFG1 + MECO3 = MECO3 + AFG1 # 1.0*K;\n xAFG1 + RCO3 = RCO3 + AFG1 # 1.0*K;\n xAFG1 + BZCO3 = BZCO3 + AFG1 # 1.0*K;\n xAFG1 + MACO3 = MACO3 + AFG1 # 1.0*K;\n xAFG2 + NO = NO + AFG2 # 1.0*K;\n xAFG2 + HO2 = HO2 + 5*XC # 1.0*K;\n xAFG2 + NO3 = NO3 + AFG2 # 1.0*K;\n xAFG2 + MEO2 = MEO2 + 0.5*AFG2 + 2.5*XC # 1.0*K;\n xAFG2 + RO2C = RO2C + 0.5*AFG2 + 2.5*XC # 1.0*K;\n xAFG2 + RO2XC = RO2XC + 0.5*AFG2 + 2.5*XC # 1.0*K;\n xAFG2 + MECO3 = MECO3 + AFG2 # 1.0*K;\n xAFG2 + RCO3 = RCO3 + AFG2 # 1.0*K;\n xAFG2 + BZCO3 = BZCO3 + AFG2 # 1.0*K;\n xAFG2 + MACO3 = MACO3 + AFG2 # 1.0*K;\n xAFG3 + NO = NO + AFG3 # 1.0*K;\n xAFG3 + HO2 = HO2 + 7*XC # 1.0*K;\n xAFG3 + NO3 = NO3 + AFG3 # 1.0*K;\n xAFG3 + MEO2 = MEO2 + 0.5*AFG3 + 3.5*XC # 1.0*K;\n xAFG3 + RO2C = RO2C + 0.5*AFG3 + 3.5*XC # 1.0*K;\n xAFG3 + RO2XC = RO2XC + 0.5*AFG3 + 3.5*XC # 1.0*K;\n xAFG3 + MECO3 = MECO3 + AFG3 # 1.0*K;\n xAFG3 + RCO3 = RCO3 + AFG3 # 1.0*K;\n xAFG3 + BZCO3 = BZCO3 + AFG3 # 1.0*K;\n xAFG3 + MACO3 = MACO3 + AFG3 # 1.0*K;\n xMACR + NO = NO + MACR # 1.0*K;\n xMACR + HO2 = HO2 + 4*XC # 1.0*K;\n xMACR + NO3 = NO3 + MACR # 1.0*K;\n xMACR + MEO2 = MEO2 + 0.5*MACR + 2*XC # 1.0*K;\n xMACR + RO2C = RO2C + 0.5*MACR + 2*XC # 1.0*K;\n xMACR + RO2XC = RO2XC + 0.5*MACR + 2*XC # 1.0*K;\n xMACR + MECO3 = MECO3 + MACR # 1.0*K;\n xMACR + RCO3 = RCO3 + MACR # 1.0*K;\n xMACR + BZCO3 = BZCO3 + MACR # 1.0*K;\n xMACR + MACO3 = MACO3 + MACR # 1.0*K;\n xMVK + NO = NO + MVK # 1.0*K;\n xMVK + HO2 = HO2 + 4*XC # 1.0*K;\n xMVK + NO3 = NO3 + MVK # 1.0*K;\n xMVK + MEO2 = MEO2 + 0.5*MVK + 2*XC # 1.0*K;\n xMVK + RO2C = RO2C + 0.5*MVK + 2*XC # 1.0*K;\n xMVK + RO2XC = RO2XC + 0.5*MVK + 2*XC # 1.0*K;\n xMVK + MECO3 = MECO3 + MVK # 1.0*K;\n xMVK + RCO3 = RCO3 + MVK # 1.0*K;\n xMVK + BZCO3 = BZCO3 + MVK # 1.0*K;\n xMVK + MACO3 = MACO3 + MVK # 1.0*K;\n xIPRD + NO = NO + IPRD # 1.0*K;\n xIPRD + HO2 = HO2 + 5*XC # 1.0*K;\n xIPRD + NO3 = NO3 + IPRD # 1.0*K;\n xIPRD + MEO2 = MEO2 + 0.5*IPRD + 2.5*XC # 1.0*K;\n xIPRD + RO2C = RO2C + 0.5*IPRD + 2.5*XC # 1.0*K;\n xIPRD + RO2XC = RO2XC + 0.5*IPRD + 2.5*XC # 1.0*K;\n xIPRD + MECO3 = MECO3 + IPRD # 1.0*K;\n xIPRD + RCO3 = RCO3 + IPRD # 1.0*K;\n xIPRD + BZCO3 = BZCO3 + IPRD # 1.0*K;\n xIPRD + MACO3 = MACO3 + IPRD # 1.0*K;\n xRNO3 + NO = NO + RNO3 # 1.0*K;\n xRNO3 + HO2 = HO2 + 6*XC + XN # 1.0*K;\n xRNO3 + NO3 = NO3 + RNO3 # 1.0*K;\n xRNO3 + MEO2 = MEO2 + 0.5*RNO3 + 0.5*XN + 3*XC # 1.0*K;\n xRNO3 + RO2C = RO2C + 0.5*RNO3 + 0.5*XN + 3*XC # 1.0*K;\n xRNO3 + RO2XC = RO2XC + 0.5*RNO3 + 0.5*XN + 3*XC # 1.0*K;\n xRNO3 + MECO3 = MECO3 + RNO3 # 1.0*K;\n xRNO3 + RCO3 = RCO3 + RNO3 # 1.0*K;\n xRNO3 + BZCO3 = BZCO3 + RNO3 # 1.0*K;\n xRNO3 + MACO3 = MACO3 + RNO3 # 1.0*K;\n yROOH + NO = NO # 1.0*K;\n yROOH + HO2 = HO2 + ROOH - 3*XC # 1.0*K;\n yROOH + NO3 = NO3 # 1.0*K;\n yROOH + MEO2 = MEO2 + 0.5*MEK - 2*XC # 1.0*K;\n yROOH + RO2C = RO2C + 0.5*MEK - 2*XC # 1.0*K;\n yROOH + RO2XC = RO2XC + 0.5*MEK - 2*XC # 1.0*K;\n yROOH + MECO3 = MECO3 # 1.0*K;\n yROOH + RCO3 = RCO3 # 1.0*K;\n yROOH + BZCO3 = BZCO3 # 1.0*K;\n yROOH + MACO3 = MACO3 # 1.0*K;\n yR6OOH + NO = NO # 1.0*K;\n yR6OOH + HO2 = HO2 + R6OOH - 6*XC # 1.0*K;\n yR6OOH + NO3 = NO3 # 1.0*K;\n yR6OOH + MEO2 = MEO2 + 0.5*PRD2 - 3*XC # 1.0*K;\n yR6OOH + RO2C = RO2C + 0.5*PRD2 - 3*XC # 1.0*K;\n yR6OOH + RO2XC = RO2XC + 0.5*PRD2 - 3*XC # 1.0*K;\n yR6OOH + MECO3 = MECO3 # 1.0*K;\n yR6OOH + RCO3 = RCO3 # 1.0*K;\n yR6OOH + BZCO3 = BZCO3 # 1.0*K;\n yR6OOH + MACO3 = MACO3 # 1.0*K;\n yISOPOOH + NO = NO # 1.0*K;\n yISOPOOH + HO2 = HO2 + ISOPOOH - 6*XC # 1.0*K;\n yISOPOOH + NO3 = NO3 # 1.0*K;\n yISOPOOH + MEO2 = MEO2 + 0.5*PRD2 - 3*XC # 1.0*K;\n yISOPOOH + RO2C = RO2C + 0.5*PRD2 - 3*XC # 1.0*K;\n yISOPOOH + RO2XC = RO2XC + 0.5*PRD2 - 3*XC # 1.0*K;\n yISOPOOH + MECO3 = MECO3 # 1.0*K;\n yISOPOOH + RCO3 = RCO3 # 1.0*K;\n yISOPOOH + BZCO3 = BZCO3 # 1.0*K;\n yISOPOOH + MACO3 = MACO3 # 1.0*K;\n yRAOOH + NO = NO # 1.0*K;\n yRAOOH + HO2 = HO2 + RAOOH - 8*XC # 1.0*K;\n yRAOOH + NO3 = NO3 # 1.0*K;\n yRAOOH + MEO2 = MEO2 + 0.5*PRD2 - 3*XC # 1.0*K;\n yRAOOH + RO2C = RO2C + 0.5*PRD2 - 3*XC # 1.0*K;\n yRAOOH + RO2XC = RO2XC + 0.5*PRD2 - 3*XC # 1.0*K;\n yRAOOH + MECO3 = MECO3 # 1.0*K;\n yRAOOH + RCO3 = RCO3 # 1.0*K;\n yRAOOH + BZCO3 = BZCO3 # 1.0*K;\n yRAOOH + MACO3 = MACO3 # 1.0*K;\n zRNO3 + NO = NO + RNO3 - 1*XN # 1.0*K;\n zRNO3 + HO2 = HO2 + 6*XC # 1.0*K;\n zRNO3 + NO3 = NO3 + PRD2 + HO2 # 1.0*K;\n zRNO3 + MEO2 = MEO2 + 0.5*PRD2 + 0.5*HO2 + 3*XC # 1.0*K;\n zRNO3 + RO2C = RO2C + 0.5*PRD2 + 0.5*HO2 + 3*XC # 1.0*K;\n zRNO3 + RO2XC = RO2XC + 0.5*PRD2 + 0.5*HO2 + 3*XC # 1.0*K;\n zRNO3 + MECO3 = MECO3 + PRD2 + HO2 # 1.0*K;\n zRNO3 + RCO3 = RCO3 + PRD2 + HO2 # 1.0*K;\n zRNO3 + BZCO3 = BZCO3 + PRD2 + HO2 # 1.0*K;\n zRNO3 + MACO3 = MACO3 + PRD2 + HO2 # 1.0*K;\n xHOCCHO + NO = NO + HOCCHO # 1.0*K;\n xHOCCHO + HO2 = HO2 + 2*XC # 1.0*K;\n xHOCCHO + NO3 = NO3 + HOCCHO # 1.0*K;\n xHOCCHO + MEO2 = MEO2 + 0.5*HOCCHO + XC # 1.0*K;\n xHOCCHO + RO2C = RO2C + 0.5*HOCCHO + XC # 1.0*K;\n xHOCCHO + RO2XC = RO2XC + 0.5*HOCCHO + XC # 1.0*K;\n xHOCCHO + MECO3 = MECO3 + HOCCHO # 1.0*K;\n xHOCCHO + RCO3 = RCO3 + HOCCHO # 1.0*K;\n xHOCCHO + BZCO3 = BZCO3 + HOCCHO # 1.0*K;\n xHOCCHO + MACO3 = MACO3 + HOCCHO # 1.0*K;\n xACROLEIN + NO = NO + ACROLEIN # 1.0*K;\n xACROLEIN + HO2 = HO2 + 3*XC # 1.0*K;\n xACROLEIN + NO3 = NO3 + ACROLEIN # 1.0*K;\n xACROLEIN + MEO2 = MEO2 + 0.5*ACROLEIN + 1.5*XC # 1.0*K;\n xACROLEIN + RO2C = RO2C + 0.5*ACROLEIN + 1.5*XC # 1.0*K;\n xACROLEIN + RO2XC = RO2XC + 0.5*ACROLEIN + 1.5*XC # 1.0*K;\n xACROLEIN + MECO3 = MECO3 + ACROLEIN # 1.0*K;\n xACROLEIN + RCO3 = RCO3 + ACROLEIN # 1.0*K;\n xACROLEIN + BZCO3 = BZCO3 + ACROLEIN # 1.0*K;\n xACROLEIN + MACO3 = MACO3 + ACROLEIN # 1.0*K;\n CH4 + OH = MEO2 # 1.85e-12@1690;\n ETHENE + OH = xHO2 + RO2C + 1.61*xHCHO + 0.195*xHOCCHO + yROOH\n # 1.00e-28^-4.50&8.80e-12^-0.85&0.60&1.0;\n ETHENE + O3 = 0.16*HO2 + 0.16*OH + 0.51*CO + 0.12*CO2 + HCHO + 0.37*HCOOH\n # 9.14e-15@2580;\n!corrected temperature power\n ETHENE + NO3 = xHO2 + RO2C + xRCHO + yROOH + XN - 1*XC\n # 3.30e-12@2880;\n ETHENE + O3P = 0.8*HO2 + 0.29*xHO2 + 0.51*MEO2 + 0.29*RO2C + 0.51*CO +\n 0.278*xCO + 0.278*xHCHO + 0.1*CCHO + 0.012*xGLY + 0.29*yROOH + 0.2*XC\n # 1.07e-11@800;\n PROPENE + OH = 0.984*xHO2 + 0.984*RO2C + 0.016*RO2XC + 0.016*zRNO3 +\n 0.984*xHCHO + 0.984*xCCHO + yROOH - 0.048*XC # 4.85e-12@-504;\n PROPENE + O3 = 0.165*HO2 + 0.35*OH + 0.355*MEO2 + 0.525*CO + 0.215*CO2 +\n 0.5*HCHO + 0.5*CCHO + 0.185*HCOOH + 0.075*CCOOH + 0.07*XC\n # 5.51e-15@1878;\n PROPENE + NO3 = 0.949*xHO2 + 0.949*RO2C + 0.051*RO2XC + 0.051*zRNO3 +\n yROOH + XN + 2.694*XC # 4.59e-13@1156;\n PROPENE + O3P = 0.45*RCHO + 0.55*MEK - 0.55*XC # 1.02e-11@280;\n BUTADIENE13 + OH = 0.951*xHO2 + 1.189*RO2C + 0.049*RO2XC + 0.049*zRNO3 +\n 0.708*xHCHO + 0.48*xACROLEIN + 0.471*xIPRD + yROOH - 0.797*XC\n # 1.48e-11@-448;\n BUTADIENE13 + O3 = 0.08*HO2 + 0.08*OH + 0.255*CO + 0.185*CO2 + 0.5*HCHO\n + 0.185*HCOOH + 0.5*ACROLEIN + 0.375*MVK + 0.125*PRD2 - 0.875*XC\n # 1.34e-14@2283;\n BUTADIENE13 + NO3 = 0.815*xHO2 + 0.12*xNO2 + 1.055*RO2C + 0.065*RO2XC +\n 0.065*zRNO3 + 0.115*xHCHO + 0.46*xMVK + 0.12*xIPRD + 0.355*xRNO3 +\n yROOH + 0.525*XN - 1.075*XC # 1.00e-13;\n BUTADIENE13 + O3P = 0.25*HO2 + 0.117*xHO2 + 0.118*xMACO3 + 0.235*RO2C +\n 0.015*RO2XC + 0.015*zRNO3 + 0.115*xCO + 0.115*xACROLEIN + 0.001*xAFG1 +\n 0.001*xAFG2 + 0.75*PRD2 + 0.25*yROOH - 1.532*XC # 2.26e-11@40;\n ISOPRENE + OH = 0.907*xHO2 + 0.986*RO2C + 0.093*RO2XC + 0.093*zRNO3 +\n 0.624*xHCHO + 0.23*xMACR + 0.32*xMVK + 0.357*xIPRD + yISOPOOH + \n ISOPRXN - 0.167*XC # 2.54e-11@-410;\n ISOPRENE + O3 = 0.066*HO2 + 0.266*OH + 0.192*xMACO3 + 0.192*RO2C +\n 0.008*RO2XC + 0.008*zRNO3 + 0.275*CO + 0.122*CO2 + 0.4*HCHO +\n 0.192*xHCHO + 0.204*HCOOH + 0.39*MACR + 0.16*MVK + 0.15*IPRD +\n 0.1*PRD2 + 0.2*yR6OOH - 0.559*XC # 7.86e-15@1912;\n ISOPRENE + NO3 = 0.749*xHO2 + 0.187*xNO2 + 0.936*RO2C + 0.064*RO2XC +\n 0.064*zRNO3 + 0.936*xIPRD + yR6OOH + 0.813*XN - 0.064*XC + ISOPRXN\n # 3.03e-12@448;\n ISOPRENE + O3P = 0.25*MEO2 + 0.24*xMACO3 + 0.24*RO2C + 0.01*RO2XC +\n 0.01*zRNO3 + 0.24*xHCHO + 0.75*PRD2 + 0.25*yR6OOH - 1.01*XC\n # 3.50e-11;\n ISOPOOH + OH = IEPOX + OH # 1.9e-11@-390;\n ISOPOOH + OH = 0.16*xMVK + .10*xMACR + 0.35*RO2C + 0.05*xRNO3\n + 0.26*xHCHO + .04*xRCHO + 0.31*xHO2 + 0.02*ARO2MN\n +0.387*yISOPOOH + 0.61*RCHO + 0.61*OH #4.75e-12@-200;\n ISOPOOH = OH + 0.91*HO2 + 0.75*HCHO + 0.45*MVK +\n 0.29*MACR + 0.09*RO2C + 0.11*RCHO + 0.05*ARO2MN -\n 0.16*XC # 1.0/;\n\n IEPOX + OH = IEPOXOO # 5.78e-11@400;\n IEPOXOO + HO2 = 0.725*MEK + 0.275*HOCCHO + 0.275*GLY + 0.275*MGLY +\n 1.125*OH + 0.825*HO2 + 0.200*CO2 + 0.375*HCHO + 0.074*HCOOH + 0.251*CO\n # 2.06e-13@-1300; \n\n IEPOXOO + NO = 0.725*MEK + 0.275*HOCCHO + 0.275*GLY + 0.275*MGLY +\n 0.125*OH + 0.825*HO2 + 0.200*CO2 + 0.375*HCHO + 0.074*HCOOH + 0.251*CO\n + NO2 # 2.60e-12@-380;\n IEPOXOO + MEO2 = 0.363*MEK + 0.138*HOCCHO + 0.138*GLY + 0.138*MGLY +\n 0.063*OH + 0.413*HO2 + 0.100*CO2 + 0.188*HCHO + 0.037*HCOOH + 0.126*CO\n + 0.5*PRD2 + 0.5*HCHO + 0.5*HO2 + 0.25*HCHO + 0.25*MEOH\n - 0.5*XC # 2.00e-13;\n\n IEPOXOO + RO2C = 0.363*MEK + 0.138*HOCCHO + 0.138*GLY + 0.138*MGLY +\n 0.063*OH + 0.413*HO2 + 0.100*CO2 + 0.188*HCHO + 0.037*HCOOH + 0.126*CO\n + 0.5*PRD2 - 0.5*XC # 3.50e-14;\n IEPOXOO + MECO3 = 0.725*MEK + 0.275*HOCCHO + 0.275*GLY + 0.275*MGLY +\n 0.125*OH + 0.825*HO2 + 0.200*CO2 + 0.375*HCHO + 0.074*HCOOH + 0.251*CO\n + MEO2 + CO2 # 4.40e-13@-1070;\n\n APIN + OH = 0.799*xHO2 + 0.004*xRCO3 + 1.042*RO2C + 0.197*RO2XC +\n 0.197*zRNO3 + 0.002*xCO + 0.022*xHCHO + 0.776*xRCHO + 0.034*xACETONE +\n 0.02*xMGLY + 0.023*xBACL + yR6OOH + TRPRXN + 6.2*XC # 1.21e-11@-436;\n APIN + O3 = 0.009*HO2 + 0.102*xHO2 + 0.728*OH + 0.001*xMECO3 +\n 0.297*xRCO3 + 1.511*RO2C + 0.337*RO2XC + 0.337*zRNO3 + 0.029*CO +\n 0.051*xCO + 0.017*CO2 + 0.344*xHCHO + 0.24*xRCHO + 0.345*xACETONE +\n 0.008*MEK + 0.002*xGLY + 0.081*xBACL + 0.255*PRD2 + 0.737*yR6OOH +\n TRPRXN + 2.999*XC # 5.00e-16@530;\n APIN + NO3 = 0.056*xHO2 + 0.643*xNO2 + 0.007*xRCO3 + 1.05*RO2C +\n 0.293*RO2XC + 0.293*zRNO3 + 0.005*xCO + 0.007*xHCHO + 0.684*xRCHO +\n 0.069*xACETONE + 0.002*xMGLY + 0.056*xRNO3 + yR6OOH + 0.301*XN +\n TRPRXN + 5.608*XC # 1.19e-12@-490;\n APIN + O3P = PRD2 + TRPRXN + 4*XC # 3.20e-11;\n! correct the below B10 rate constant so infinity rate has temperature depedence\n ACETYLENE + OH = 0.3*HO2 + 0.7*OH + 0.3*CO + 0.3*HCOOH + 0.7*GLY\n # 5.50e-30&8.30e-13^-2.00&0.60&1.0;\n ACETYLENE + O3 = 1.5*HO2 + 0.5*OH + 1.5*CO + 0.5*CO2 # 1.00e-14@4100;\n BENZENE + OH = 0.57*HO2 + 0.29*xHO2 + 0.116*OH + 0.29*RO2C + 0.024*RO2XC\n + 0.024*zRNO3 + 0.29*xGLY + 0.57*CRES + 0.029*xAFG1 + 0.261*xAFG2 +\n 0.116*AFG3 + 0.314*yRAOOH + BENZRO2 - 0.976*XC # 2.33e-12@193;\n TOLUENE + OH = 0.181*HO2 + 0.454*xHO2 + 0.312*OH + 0.454*RO2C +\n 0.054*RO2XC + 0.054*zRNO3 + 0.238*xGLY + 0.151*xMGLY + 0.181*CRES +\n 0.065*xBALD + 0.195*xAFG1 + 0.195*xAFG2 + 0.312*AFG3 + 0.073*yR6OOH +\n 0.435*yRAOOH + TOLRO2 - 0.109*XC # 1.81e-12@-338;\n MXYL + OH = 0.159*HO2 + 0.52*xHO2 + 0.239*OH + 0.52*RO2C + 0.082*RO2XC +\n 0.082*zRNO3 + 0.1*xGLY + 0.38*xMGLY + 0.159*CRES + 0.041*xBALD +\n 0.336*xAFG1 + 0.144*xAFG2 + 0.239*AFG3 + 0.047*yR6OOH + 0.555*yRAOOH +\n XYLRO2 + 0.695*XC # 2.31e-11;\n OXYL + OH = 0.161*HO2 + 0.554*xHO2 + 0.198*OH + 0.554*RO2C +\n 0.087*RO2XC + 0.087*zRNO3 + 0.084*xGLY + 0.238*xMGLY + 0.185*xBACL +\n 0.161*CRES + 0.047*xBALD + 0.253*xAFG1 + 0.253*xAFG2 + 0.198*AFG3 +\n 0.055*yR6OOH + 0.586*yRAOOH + XYLRO2 + 0.484*XC # 1.36e-11;\n PXYL + OH = 0.159*HO2 + 0.487*xHO2 + 0.278*OH + 0.487*RO2C +\n 0.076*RO2XC + 0.076*zRNO3 + 0.286*xGLY + 0.112*xMGLY + 0.159*CRES +\n 0.088*xBALD + 0.045*xAFG1 + 0.067*xAFG2 + 0.278*AFG3 + 0.286*xAFG3 +\n 0.102*yR6OOH + 0.461*yRAOOH + XYLRO2 + 0.399*XC # 1.43e-11;\n TMBENZ124 + OH = 0.022*HO2 + 0.627*xHO2 + 0.23*OH + 0.627*RO2C +\n 0.121*RO2XC + 0.121*zRNO3 + 0.074*xGLY + 0.405*xMGLY + 0.112*xBACL +\n 0.022*CRES + 0.036*xBALD + 0.088*xAFG1 + 0.352*xAFG2 + 0.23*AFG3 +\n 0.151*xAFG3 + 0.043*yR6OOH + 0.705*yRAOOH + XYLRO2 + \n 1.19*XC # 3.25e-11;\n ETOH + OH = 0.95*HO2 + 0.05*xHO2 + 0.05*RO2C + 0.081*xHCHO + 0.95*CCHO +\n 0.01*xHOCCHO + 0.05*yROOH - 0.001*XC # 5.49e-13^2.00@-530;\n ALK1 + OH = xHO2 + RO2C + xCCHO + yROOH # 1.34e-12^2.00@499;\n ALK2 + OH = 0.965*xHO2 + 0.965*RO2C + 0.035*RO2XC + 0.035*zRNO3 +\n 0.261*xRCHO + 0.704*xACETONE + yROOH - 0.105*XC # 1.49e-12^2.00@87;\n ALK3 + OH = 0.695*xHO2 + 0.236*xTBUO + 1.253*RO2C + 0.07*RO2XC +\n 0.07*zRNO3 + 0.026*xHCHO + 0.445*xCCHO + 0.122*xRCHO +\n 0.024*xACETONE + 0.332*xMEK + 0.983*yROOH + 0.017*yR6OOH -\n 0.046*XC # 1.51e-12@-126;\n ALK4 + OH = 0.83*xHO2 + 0.01*xMEO2 + 0.011*xMECO3 + 1.763*RO2C +\n 0.149*RO2XC + 0.149*zRNO3 + 0.002*xCO + 0.029*xHCHO + 0.438*xCCHO +\n 0.236*xRCHO + 0.426*xACETONE + 0.106*xMEK + 0.146*xPROD2 + yR6OOH -\n 0.119*XC # 3.75e-12@-44;\n ALK5 + OH = 0.647*xHO2 + 1.605*RO2C + 0.353*RO2XC + 0.353*zRNO3 +\n 0.04*xHCHO + 0.106*xCCHO + 0.209*xRCHO + 0.071*xACETONE + 0.086*xMEK +\n 0.407*xPROD2 + yR6OOH + 2.004*XC # 2.70e-12@-374;\n SOAALK + OH = OH + 0.47*ALKRXN # 2.70e-12@-374;\n OLE1 + OH = 0.871*xHO2 + 0.001*xMEO2 + 1.202*RO2C + 0.128*RO2XC +\n 0.128*zRNO3 + 0.582*xHCHO + 0.01*xCCHO + 0.007*xHOCCHO + 0.666*xRCHO +\n 0.007*xACETONE + 0.036*xACROLEIN + 0.001*xMACR + 0.012*xMVK +\n 0.009*xIPRD + 0.168*xPROD2 + 0.169*yROOH + 0.831*yR6OOH +\n 0.383*XC # 6.72e-12@-501;\n OLE1 + O3 = 0.095*HO2 + 0.057*xHO2 + 0.128*OH + 0.09*RO2C +\n 0.005*RO2XC + 0.005*zRNO3 + 0.303*CO + 0.088*CO2 + 0.5*HCHO +\n 0.011*xCCHO + 0.5*RCHO + 0.044*xRCHO + 0.003*xACETONE + 0.009*MEK +\n 0.185*HCOOH + 0.159*RCOOH + 0.268*PRD2 + 0.011*yROOH + 0.052*yR6OOH +\n 0.11*XC # 3.19e-15@1701;\n OLE1 + NO3 = 0.772*xHO2 + 1.463*RO2C + 0.228*RO2XC + 0.228*zRNO3 +\n 0.013*xCCHO + 0.003*xRCHO + 0.034*xACETONE + 0.774*xRNO3 +\n 0.169*yROOH + 0.831*yR6OOH + 0.226*XN - 1.149*XC # 5.37e-13@1047;\n OLE1 + O3P = 0.45*RCHO + 0.39*MEK + 0.16*PRD2 + 1.13*XC # 1.61e-11@326;\n OLE2 + OH = 0.912*xHO2 + 0.953*RO2C + 0.088*RO2XC + 0.088*zRNO3 +\n 0.179*xHCHO + 0.835*xCCHO + 0.51*xRCHO + 0.144*xACETONE + 0.08*xMEK +\n 0.002*xMVK + 0.012*xIPRD + 0.023*xPROD2 + 0.319*yROOH + 0.681*yR6OOH +\n 0.135*XC # 1.26e-11@-488;\n OLE2 + O3 = 0.094*HO2 + 0.041*xHO2 + 0.443*OH + 0.307*MEO2 +\n 0.156*xMECO3 + 0.008*xRCO3 + 0.212*RO2C + 0.003*RO2XC + 0.003*zRNO3 +\n 0.299*CO + 0.161*CO2 + 0.131*HCHO + 0.114*xHCHO + 0.453*CCHO +\n 0.071*xCCHO + 0.333*RCHO + 0.019*xRCHO + 0.051*ACETONE + 0.033*MEK +\n 0.001*xMEK + 0.024*HCOOH + 0.065*CCOOH + 0.235*RCOOH + 0.037*PRD2 +\n 0.073*yROOH + 0.136*yR6OOH + 0.16*XC # 8.59e-15@1255;\n OLE2 + NO3 = 0.4*xHO2 + 0.426*xNO2 + 0.035*xMEO2 + 1.193*RO2C +\n 0.14*RO2XC + 0.14*zRNO3 + 0.072*xHCHO + 0.579*xCCHO + 0.163*xRCHO +\n 0.116*xACETONE + 0.002*xMEK + 0.32*xRNO3 + 0.319*yROOH + 0.681*yR6OOH +\n 0.254*XN + 0.13*XC # 2.31e-13@-382;\n OLE2 + O3P = 0.079*RCHO + 0.751*MEK + 0.17*PRD2 + 0.739*XC\n # 1.43e-11@-111;\n ARO1 + OH = 0.123*HO2 + 0.566*xHO2 + 0.202*OH + 0.566*RO2C + 0.11*RO2XC +\n 0.11*zRNO3 + 0.158*xGLY + 0.1*xMGLY + 0.123*CRES + 0.072*xAFG1 +\n 0.185*xAFG2 + 0.202*AFG3 + 0.309*xPROD2 + 0.369*yR6OOH + TOLRO2 +\n 0.31*XC # 7.84e-12;\n ARO2MN + OH = 0.077*HO2 + 0.617*xHO2 + 0.178*OH + 0.617*RO2C +\n 0.128*RO2XC + 0.128*zRNO3 + 0.088*xGLY + 0.312*xMGLY + 0.134*xBACL +\n 0.077*CRES + 0.026*xBALD + 0.221*xAFG1 + 0.247*xAFG2 + 0.178*AFG3 +\n 0.068*xAFG3 + 0.057*xPROD2 + 0.101*yR6OOH + XYLRO2 + \n 1.459*XC # 3.09e-11;\n NAPHTHAL + OH = 0.077*HO2 + 0.617*xHO2 + 0.178*OH + 0.617*RO2C +\n 0.128*RO2XC + 0.128*zRNO3 + 0.088*xGLY + 0.312*xMGLY + 0.134*xBACL +\n 0.077*CRES + 0.026*xBALD + 0.221*xAFG1 + 0.247*xAFG2 + 0.178*AFG3 +\n 0.068*xAFG3 + 0.057*xPROD2 + 0.101*yR6OOH + PAHRO2 + 1.459*XC\n # 3.09e-11;\n TERP + OH = 0.734*xHO2 + 0.064*xRCO3 + 1.211*RO2C + 0.201*RO2XC +\n 0.201*zRNO3 + 0.001*xCO + 0.411*xHCHO + 0.385*xRCHO + 0.037*xACETONE +\n 0.007*xMEK + 0.003*xMGLY + 0.009*xBACL + 0.003*xMVK + 0.002*xIPRD +\n 0.409*xPROD2 + yR6OOH + TRPRXN + 4.375*XC # 2.27e-11@-435;\n TERP + O3 = 0.078*HO2 + 0.046*xHO2 + 0.499*OH + 0.202*xMECO3 +\n 0.059*xRCO3 + 0.49*RO2C + 0.121*RO2XC + 0.121*zRNO3 + 0.249*CO +\n 0.063*CO2 + 0.127*HCHO + 0.033*xHCHO + 0.208*xRCHO + 0.057*xACETONE +\n 0.002*MEK + 0.172*HCOOH + 0.068*RCOOH + 0.003*xMGLY + 0.039*xBACL +\n 0.002*xMACR + 0.001*xIPRD + 0.502*PRD2 + 0.428*yR6OOH + TRPRXN + \n 3.852*XC # 8.28e-16@785;\n TERP + NO3 = 0.227*xHO2 + 0.287*xNO2 + 0.026*xRCO3 + 1.786*RO2C +\n 0.46*RO2XC + 0.46*zRNO3 + 0.012*xCO + 0.023*xHCHO + 0.002*xHOCCHO +\n 0.403*xRCHO + 0.239*xACETONE + 0.005*xMACR + 0.001*xMVK + 0.004*xIPRD +\n 0.228*xRNO3 + yR6OOH + TRPRXN + 0.485*XN + 3.785*XC # 1.33e-12@-490;\n TERP + O3P = 0.237*RCHO + 0.763*PRD2 + TRPRXN + 4.711*XC # 4.02e-11;\n SESQ + OH = 0.734*xHO2 + 0.064*xRCO3 + 1.211*RO2C + 0.201*RO2XC +\n 0.201*zRNO3 + 0.001*xCO + 0.411*xHCHO + 0.385*xRCHO + 0.037*xACETONE +\n 0.007*xMEK + 0.003*xMGLY + 0.009*xBACL + 0.003*xMVK + 0.002*xIPRD +\n 0.409*xPROD2 + yR6OOH + SESQRXN + 9.375*XC # 1.0*K;\n SESQ + O3 = 0.078*HO2 + 0.046*xHO2 + 0.499*OH + 0.202*xMECO3 +\n 0.059*xRCO3 + 0.49*RO2C + 0.121*RO2XC + 0.121*zRNO3 + 0.249*CO +\n 0.063*CO2 + 0.127*HCHO + 0.033*xHCHO + 0.208*xRCHO + 0.057*xACETONE +\n 0.002*MEK + 0.172*HCOOH + 0.068*RCOOH + 0.003*xMGLY + 0.039*xBACL +\n 0.002*xMACR + 0.001*xIPRD + 0.502*PRD2 + 0.428*yR6OOH + SESQRXN + \n 8.852*XC # 1.0*K;\n SESQ + NO3 = 0.227*xHO2 + 0.287*xNO2 + 0.026*xRCO3 + 1.786*RO2C +\n 0.46*RO2XC + 0.46*zRNO3 + 0.012*xCO + 0.023*xHCHO + 0.002*xCCHO +\n 0.403*xRCHO + 0.239*xACETONE + 0.005*xMACR + 0.001*xMVK + 0.004*xIPRD +\n 0.228*xRNO3 + yR6OOH + SESQRXN + 0.485*XN + 8.785*XC # 1.0*K;\n SESQ + O3P = 0.237*RCHO + 0.763*PRD2 + SESQRXN + 9.711*XC # 1.0*K;\n CL2 = 2*CL # 1.0/;\n CL + NO + M = CLNO # 7.60e-32^-1.80;\n CLNO = CL + NO # 1.0/;\n CL + NO2 = CLONO # 1.30e-30^-2.00&1.00e-10^-1.00&0.60&1.0;\n CL + NO2 = CLNO2 # 1.80e-31^-2.00&1.00e-10^-1.00&0.60&1.0;\n CLONO = CL + NO2 # 1.0/;\n CLNO2 = CL + NO2 # 1.0/;\n CL + HO2 = HCL # 3.44e-11^-0.56;\n CL + HO2 = CLO + OH # 9.41e-12^2.10;\n CL + O3 = CLO # 2.80e-11@250;\n CL + NO3 = CLO + NO2 # 2.40e-11;\n CLO + NO = CL + NO2 # 6.20e-12@-295;\n CLO + NO2 = CLONO2 # 1.80e-31^-3.40&1.50e-11^-1.90&0.60&1.0;\n CLONO2 = CLO + NO2 # 1.0/;\n CLONO2 = CL + NO3 # 1.0/;\n CLONO2 = CLO + NO2 # 4.48e-05^-1.00@12530&3.71e+15^3.50@12530&0.60&1.0;\n CL + CLONO2 = CL2 + NO3 # 6.20e-12@-145;\n CLO + HO2 = HOCL # 2.20e-12@-340;\n HOCL = OH + CL # 1.0/;\n CLO + CLO = 0.29*CL2 + 1.42*CL # 1.25e-11@1960;\n OH + HCL = CL # 1.70e-12@230;\n CL + H2 = HCL + HO2 # 3.90e-11@2310;\n HCHO + CL = HCL + HO2 + CO # 8.10e-11@30;\n CCHO + CL = HCL + MECO3 # 8.00e-11;\n MEOH + CL = HCL + HCHO + HO2 # 5.50e-11;\n RCHO + CL = HCL + 0.9*RCO3 + 0.1*RO2C + 0.1*xCCHO + 0.1*xCO + 0.1*xHO2 +\n 0.1*yROOH # 1.23e-10;\n ACETONE + CL = HCL + RO2C + xHCHO + xMECO3 + yROOH # 7.70e-11@1000;\n MEK + CL = HCL + 0.975*RO2C + 0.039*RO2XC + 0.039*zRNO3 + 0.84*xHO2 +\n 0.085*xMECO3 + 0.036*xRCO3 + 0.065*xHCHO + 0.07*xCCHO + 0.84*xRCHO +\n yROOH + 0.763*XC # 3.60e-11;\n RNO3 + CL = HCL + 0.038*NO2 + 0.055*HO2 + 1.282*RO2C + 0.202*RO2XC +\n 0.202*zRNO3 + 0.009*RCHO + 0.018*MEK + 0.012*PRD2 + 0.055*RNO3 +\n 0.159*xNO2 + 0.547*xHO2 + 0.045*xHCHO + 0.3*xCCHO + 0.02*xRCHO +\n 0.003*xACETONE + 0.041*xMEK + 0.046*xPROD2 + 0.547*xRNO3 +\n 0.908*yR6OOH + 0.201*XN - 0.149*XC # 1.92e-10;\n PRD2 + CL = HCL + 0.314*HO2 + 0.68*RO2C + 0.116*RO2XC + 0.116*zRNO3 +\n 0.198*RCHO + 0.116*PRD2 + 0.541*xHO2 + 0.007*xMECO3 + 0.022*xRCO3 +\n 0.237*xHCHO + 0.109*xCCHO + 0.591*xRCHO + 0.051*xMEK + 0.04*xPROD2 +\n 0.686*yR6OOH + 1.262*XC # 2.00e-10;\n GLY + CL = HCL + 0.63*HO2 + 1.26*CO + 0.37*RCO3 - 0.37*XC\n # 8.10e-11@30;\n MGLY + CL = HCL + CO + MECO3 # 8.00e-11;\n CRES + CL = HCL + xHO2 + xBALD + yR6OOH # 6.20e-11;\n BALD + CL = HCL + BZCO3 # 8.00e-11;\n ROOH + CL = HCL + 0.414*OH + 0.588*RO2C + 0.414*RCHO + 0.104*xOH +\n 0.482*xHO2 + 0.106*xHCHO + 0.104*xCCHO + 0.197*xRCHO + 0.285*xMEK +\n 0.586*yROOH - 0.287*XC # 1.66e-10;\n R6OOH + CL = HCL + 0.145*OH + 1.078*RO2C + 0.117*RO2XC + 0.117*zRNO3 +\n 0.145*PRD2 + 0.502*xOH + 0.237*xHO2 + 0.186*xCCHO + 0.676*xRCHO +\n 0.28*xPROD2 + 0.855*yR6OOH + 0.348*XC # 3.00e-10;\n RAOOH + CL = 0.404*HCL + 0.139*OH + 0.148*HO2 + 0.589*RO2C +\n 0.124*RO2XC + 0.124*zRNO3 + 0.074*PRD2 + 0.147*MGLY + 0.139*IPRD +\n 0.565*xHO2 + 0.024*xOH + 0.448*xRCHO + 0.026*xGLY + 0.03*xMEK +\n 0.252*xMGLY + 0.073*xAFG1 + 0.073*xAFG2 + 0.713*yR6OOH + 2.674*XC\n # 4.29e-10;\n ACROLEIN + CL = 0.484*xHO2 + 0.274*xCL + 0.216*MACO3 + 1.032*RO2C +\n 0.026*RO2XC + 0.026*zRNO3 + 0.216*HCL + 0.484*xCO + 0.274*xHCHO +\n 0.274*xGLY + 0.484*xCLCCHO + 0.784*yROOH - 0.294*XC # 2.94e-10;\n MACR + CL = 0.25*HCL + 0.165*MACO3 + 0.802*RO2C + 0.033*RO2XC +\n 0.033*zRNO3 + 0.802*xHO2 + 0.541*xCO + 0.082*xIPRD + 0.18*xCLCCHO +\n 0.541*xCLACET + 0.835*yROOH + 0.208*XC # 3.85e-10;\n MVK + CL = 1.283*RO2C + 0.053*RO2XC + 0.053*zRNO3 + 0.322*xHO2 +\n 0.625*xMECO3 + 0.947*xCLCCHO + yROOH + 0.538*XC # 2.32e-10;\n IPRD + CL = 0.401*HCL + 0.084*HO2 + 0.154*MACO3 + 0.73*RO2C +\n 0.051*RO2XC + 0.051*zRNO3 + 0.042*AFG1 + 0.042*AFG2 + 0.712*xHO2 +\n 0.498*xCO + 0.195*xHCHO + 0.017*xMGLY + 0.009*xAFG1 + 0.009*xAFG2 +\n 0.115*xIPRD + 0.14*xCLCCHO + 0.42*xCLACET + 0.762*yR6OOH + 0.709*XC\n # 4.12e-10;\n CLCCHO = HO2 + CO + RO2C + xCL + xHCHO + yROOH # 1.0/;\n CLCCHO + OH = RCO3 - 1*XC # 3.10e-12;\n CLCCHO + CL = HCL + RCO3 - 1*XC # 1.29e-11;\n CLACET = MECO3 + RO2C + xCL + xHCHO + yROOH # 5.00e-1/;\n xCL + NO = NO + CL # 1.0*K;\n xCL + HO2 = HO2 # 1.0*K;\n xCL + NO3 = NO3 + CL # 1.0*K;\n xCL + MEO2 = MEO2 + 0.5*CL # 1.0*K;\n xCL + RO2C = RO2C + 0.5*CL # 1.0*K;\n xCL + RO2XC = RO2XC + 0.5*CL # 1.0*K;\n xCL + MECO3 = MECO3 + CL # 1.0*K;\n xCL + RCO3 = RCO3 + CL # 1.0*K;\n xCL + BZCO3 = BZCO3 + CL # 1.0*K;\n xCL + MACO3 = MACO3 + CL # 1.0*K;\n xCLCCHO + NO = NO + CLCCHO # 1.0*K;\n xCLCCHO + HO2 = HO2 + 2*XC # 1.0*K;\n xCLCCHO + NO3 = NO3 + CLCCHO # 1.0*K;\n xCLCCHO + MEO2 = MEO2 + 0.5*CLCCHO + XC # 1.0*K;\n xCLCCHO + RO2C = RO2C + 0.5*CLCCHO + XC # 1.0*K;\n xCLCCHO + RO2XC = RO2XC + 0.5*CLCCHO + XC # 1.0*K;\n xCLCCHO + MECO3 = MECO3 + CLCCHO # 1.0*K;\n xCLCCHO + RCO3 = RCO3 + CLCCHO # 1.0*K;\n xCLCCHO + BZCO3 = BZCO3 + CLCCHO # 1.0*K;\n xCLCCHO + MACO3 = MACO3 + CLCCHO # 1.0*K;\n xCLACET + NO = NO + CLACET # 1.0*K;\n xCLACET + HO2 = HO2 + 3*XC # 1.0*K;\n xCLACET + NO3 = NO3 + CLACET # 1.0*K;\n xCLACET + MEO2 = MEO2 + 0.5*CLACET + 1.5*XC # 1.0*K;\n xCLACET + RO2C = RO2C + 0.5*CLACET + 1.5*XC # 1.0*K;\n xCLACET + RO2XC = RO2XC + 0.5*CLACET + 1.5*XC # 1.0*K;\n xCLACET + MECO3 = MECO3 + CLACET # 1.0*K;\n xCLACET + RCO3 = RCO3 + CLACET # 1.0*K;\n xCLACET + BZCO3 = BZCO3 + CLACET # 1.0*K;\n xCLACET + MACO3 = MACO3 + CLACET # 1.0*K;\n CH4 + CL = HCL + MEO2 # 7.30e-12@1280;\n ETHENE + CL = xHO2 + 2*RO2C + xHCHO + CLCHO\n # 1.60e-29^-3.30&3.10e-10^-1.00&0.60&1.0;\n PROPENE + CL = 0.124*HCL + 0.971*xHO2 + 0.971*RO2C + 0.029*RO2XC +\n 0.029*zRNO3 + 0.124*xACROLEIN + 0.306*xCLCCHO + 0.54*xCLACET + yROOH +\n 0.222*XC # 2.67e-10;\n BUTADIENE13 + CL = 0.39*xHO2 + 0.541*xCL + 1.884*RO2C + 0.069*RO2XC +\n 0.069*zRNO3 + 0.863*xHCHO + 0.457*xACROLEIN + 0.473*xIPRD + yROOH -\n 1.013*XC # 4.90e-10;\n ISOPRENE + CL = 0.15*HCL + 0.738*xHO2 + 0.177*xCL + 1.168*RO2C +\n 0.085*RO2XC + 0.085*zRNO3 + 0.275*xHCHO + 0.177*xMVK + 0.671*xIPRD +\n 0.067*xCLCCHO + yR6OOH + 0.018*XC # 4.80e-10;\n APIN + CL = 0.548*HCL + 0.252*xHO2 + 0.068*xCL + 0.034*xMECO3 +\n 0.05*xRCO3 + 0.016*xMACO3 + 2.258*RO2C + 0.582*RO2XC + 0.582*zRNO3 +\n 0.035*xCO + 0.158*xHCHO + 0.185*xRCHO + 0.274*xACETONE + 0.007*xGLY +\n 0.003*xBACL + 0.003*xMVK + 0.158*xIPRD + 0.006*xAFG1 + 0.006*xAFG2 +\n 0.001*xAFG3 + 0.109*xCLCCHO + yR6OOH + 3.543*XC # 5.46e-10;\n ACETYLENE + CL = HO2 + CO + XC # 5.20e-30^-2.40&2.20e-10&0.60&1.0;\n TOLUENE + CL = 0.894*xHO2 + 0.894*RO2C + 0.106*RO2XC + 0.106*zRNO3 +\n 0.894*xBALD + 0.106*XC # 6.20e-11;\n MXYL + CL = 0.864*xHO2 + 0.864*RO2C + 0.136*RO2XC + 0.136*zRNO3 +\n 0.864*xBALD + 1.136*XC # 1.35e-10;\n OXYL + CL = 0.864*xHO2 + 0.864*RO2C + 0.136*RO2XC + 0.136*zRNO3 +\n 0.864*xBALD + 1.136*XC # 1.40e-10;\n PXYL + CL = 0.864*xHO2 + 0.864*RO2C + 0.136*RO2XC + 0.136*zRNO3 +\n 0.864*xBALD + 1.136*XC # 1.44e-10;\n TMBENZ124 + CL = 0.838*xHO2 + 0.838*RO2C + 0.162*RO2XC +\n 0.162*zRNO3 + 0.838*xBALD + 2.162*XC # 2.42e-10;\n ETOH + CL = HCL + 0.688*HO2 + 0.312*xHO2 + 0.312*RO2C + 0.503*xHCHO +\n 0.688*CCHO + 0.061*xHOCCHO + 0.312*yROOH - 0.001*XC # 8.60e-11@-45;\n ALK1 + CL = HCL + xHO2 + RO2C + xCCHO + yROOH # 8.30e-11@100;\n ALK2 + CL = HCL + 0.97*xHO2 + 0.97*RO2C + 0.03*RO2XC + 0.03*zRNO3 +\n 0.482*xRCHO + 0.488*xACETONE + yROOH - 0.09*XC # 1.20e-10@-40;\n ALK3 + CL = HCL + 0.835*xHO2 + 0.094*xTBUO + 1.361*RO2C + 0.07*RO2XC +\n 0.07*zRNO3 + 0.078*xHCHO + 0.34*xCCHO + 0.343*xRCHO + 0.075*xACETONE +\n 0.253*xMEK + 0.983*yROOH + 0.017*yR6OOH + 0.18*XC # 1.86e-10;\n ALK4 + CL = HCL + 0.827*xHO2 + 0.003*xMEO2 + 0.004*xMECO3 + 1.737*RO2C +\n 0.165*RO2XC + 0.165*zRNO3 + 0.003*xCO + 0.034*xHCHO + 0.287*xCCHO +\n 0.412*xRCHO + 0.247*xACETONE + 0.076*xMEK + 0.13*xPROD2 + yR6OOH +\n 0.327*XC # 2.63e-10;\n ALK5 + CL = HCL + 0.647*xHO2 + 1.541*RO2C + 0.352*RO2XC + 0.352*zRNO3 +\n 0.022*xHCHO + 0.08*xCCHO + 0.258*xRCHO + 0.044*xACETONE + 0.041*xMEK +\n 0.378*xPROD2 + yR6OOH + 2.368*XC # 4.21e-10;\n OLE1 + CL = 0.384*HCL + 0.873*xHO2 + 1.608*RO2C + 0.127*RO2XC +\n 0.127*zRNO3 + 0.036*xHCHO + 0.206*xCCHO + 0.072*xRCHO +\n 0.215*xACROLEIN + 0.019*xMVK + 0.038*xIPRD + 0.192*xCLCCHO +\n 0.337*xCLACET + 0.169*yROOH + 0.831*yR6OOH + 1.268*XC # 3.92e-10;\n OLE2 + CL = 0.279*HCL + 0.45*xHO2 + 0.442*xCL + 0.001*xMEO2 +\n 1.492*RO2C + 0.106*RO2XC + 0.106*zRNO3 + 0.19*xHCHO + 0.383*xCCHO +\n 0.317*xRCHO + 0.086*xACETONE + 0.042*xMEK + 0.025*xMACR + 0.058*xMVK +\n 0.161*xIPRD + 0.013*xCLCCHO + 0.191*xCLACET + 0.319*yROOH +\n 0.681*yR6OOH + 0.294*XC # 3.77e-10;\n ARO1 + CL = 0.84*xHO2 + 0.84*RO2C + 0.16*RO2XC + 0.16*zRNO3 +\n 0.84*xPROD2 + XC # 2.16e-10;\n ARO2MN + CL = 0.828*xHO2 + 0.828*RO2C + 0.172*RO2XC + 0.172*zRNO3 +\n 0.469*xBALD + 0.359*xPROD2 + 2.531*XC # 2.66e-10;\n NAPHTHAL + CL = 0.828*xHO2 + 0.828*RO2C + 0.172*RO2XC + 0.172*zRNO3 +\n 0.469*xBALD + 0.359*xPROD2 + 2.531*XC # 2.66e-10;\n TERP + CL = 0.548*HCL + 0.252*xHO2 + 0.068*xCL + 0.034*xMECO3 +\n 0.05*xRCO3 + 0.016*xMACO3 + 2.258*RO2C + 0.582*RO2XC + 0.582*zRNO3 +\n 0.035*xCO + 0.158*xHCHO + 0.185*xRCHO + 0.274*xACETONE + 0.007*xGLY +\n 0.003*xBACL + 0.003*xMVK + 0.158*xIPRD + 0.006*xAFG1 + 0.006*xAFG2 +\n 0.001*xAFG3 + 0.109*xCLCCHO + yR6OOH + 3.543*XC # 5.46e-10;\n SESQ + CL = 0.252*xHO2 + 0.068*xCL + 0.034*xMECO3 + 0.05*xRCO3 +\n 0.016*xMACO3 + 2.258*RO2C + 0.582*RO2XC + 0.582*zRNO3 + 0.548*HCL +\n 0.035*xCO + 0.158*xHCHO + 0.185*xRCHO + 0.274*xACETONE + 0.007*xGLY +\n 0.003*xBACL + 0.003*xMVK + 0.158*xIPRD + 0.006*xAFG1 + 0.006*xAFG2 +\n 0.001*xAFG3 + 0.109*xCLCCHO + yR6OOH + 8.543*XC # 1.0*K;\n\n! Reactions for aerosol precursors from benzene, xylenes, and toluene\n\n BENZRO2 + NO = NO +BNZNRXN # 1.0*K;\n BENZRO2 + HO2 = HO2 + BNZHRXN # 1.0*K;\n XYLRO2 + NO = NO +XYLNRXN # 1.0*K;\n XYLRO2 + HO2 = HO2 + XYLHRXN # 1.0*K;\n TOLRO2 + NO = NO +TOLNRXN # 1.0*K;\n TOLRO2 + HO2 = HO2 + TOLHRXN # 1.0*K;\n PAHRO2 + NO = NO +PAHNRXN # 1.0*K;\n PAHRO2 + HO2 = HO2 + PAHHRXN # 1.0*K;\n\n! Reactive Tracers for formaldehyde, acetaldehyde and acrolein\n\n HCHO_PRIMARY = # 1.0/;\n HCHO_PRIMARY = # 1.0/;\n HCHO_PRIMARY + OH = OH # 5.40e-12@-135;\n! Removed based on comment from peer reviews\n! HCHO_PRIMARY + HO2 = HO2 # 9.70e-15@-625;\n!\n HCHO_PRIMARY + NO3 = NO3 # 2.00e-12@2431;\n HCHO_PRIMARY + CL = CL # 8.10e-11@30;\n\n CCHO_PRIMARY + OH = OH # 4.40e-12@-365;\n CCHO_PRIMARY = # 1.0/;\n CCHO_PRIMARY + NO3 = NO3 # 1.40e-12@1860;\n CCHO_PRIMARY + CL = CL # 8.00e-11;\n\n ACRO_PRIMARY + OH = OH # 1.99e-11;\n ACRO_PRIMARY + O3 = O3 # 1.40e-15@2528;\n ACRO_PRIMARY + NO3 = NO3 # 1.18e-15;\n ACRO_PRIMARY + O3P = O3P # 2.37e-12;\n ACRO_PRIMARY = # 1.0/;\n ACRO_PRIMARY + CL = CL # 2.94e-10;\n\n! iorganic heteorogeneous NO2 reaction from hetchem version 5.0.2\n\n NO2 = 0.5*HONO + 0.5*HNO3 # 1.0~;\n\n! version 5.1 heterogenous N2O5 reactions leading to HNO3 and CLNO2\n\n N2O5 = HNO3 + H2NO3PIJ # 1.0~;\n N2O5 = HNO3 + H2NO3PK # 1.0~;\n\n H2NO3PIJ = HNO3 # 1.0~;\n H2NO3PK = HNO3 # 1.0~;\n\n H2NO3PIJ + ACLI = CLNO2 # 1.0~;\n H2NO3PIJ + ACLJ = CLNO2 # 1.0~;\n H2NO3PK + ACLK = CLNO2 # 1.0~;\n\n! Simplified ozone loss from oceanic halogens excluding chlorine\n\n O3 = %H # 6.7006E-11@-10.7435 & 3.4153E-08@0.6713\n & 2.0E-6;\n\n! oligomerization reaction for secondary organic aerosols\n\n AXYL1J = 0.8571*AOLGAJ # 9.48816E-6;\n AXYL2J = 1.1429*AOLGAJ # 9.48816E-6;\n ATOL1J = 0.8571*AOLGAJ # 9.48816E-6;\n ATOL2J = 1.1429*AOLGAJ # 9.48816E-6;\n ABNZ1J = 0.7143*AOLGAJ # 9.48816E-6;\n ABNZ2J = 0.7143*AOLGAJ # 9.48816E-6;\n ATRP1J = 0.8*AOLGBJ # 9.48816E-6;\n ATRP2J = 0.9*AOLGBJ # 9.48816E-6;\n AISO1J = 0.50*AOLGBJ # 9.48816E-6;\n AISO2J = 0.50*AOLGBJ # 9.48816E-6;\n ASQTJ = 1.50*AOLGBJ # 9.48816E-6;\n APAH1J = 1.4286*AOLGAJ # 9.48816E-6;\n APAH2J = 1.4286*AOLGAJ # 9.48816E-6;\n AALK1J = 1.7143*AOLGAJ # 9.48816E-6;\n AALK2J = 1.7143*AOLGAJ # 9.48816E-6;\n\n\n!aging reactions for primary organic carbon\n APOCI + OH = 1.25*APNCOMI + APOCI + OH # 2.5E-12;\n APNCOMI + OH = OH # 1.0~;\n APOCJ + OH = 1.25*APNCOMJ + APOCJ + OH # 2.5E-12;\n APNCOMJ + OH = OH # 1.0~;\n\n! Formation of Potential Combustion SOA (pcSOA)\n PCVOC + OH = OH + PCSOARXN # 1.25E-11;\n\n! Aging with Func. and Frag. (Donahue et al. 2012)\n VLVPO1 + OH = OH \n + 0.4857 * VLVPO1 + 0.0062 * VSVPO1\n + 0.0025 * VSVPO2 + 0.0026 * VSVPO3\n + 0.0023 * VIVPO1 + 0.2944 * VLVOO1\n + 0.2021 * VLVOO2 + 0.0019 * VSVOO2\n + 0.0023 * VSVOO3 #4.0e-11;\n VSVPO1 + OH = OH \n + 0.3003 * VLVPO1 + 0.2862 * VSVPO1\n + 0.0041 * VSVPO2 + 0.0035 * VSVPO3\n + 0.2239 * VLVOO1 + 0.1820 * VLVOO2 #4.0e-11;\n VSVPO2 + OH = OH \n + 0.3856 * VLVPO1 + 0.0950 * VSVPO1\n + 0.1373 * VSVPO2 + 0.0005 * VSVPO3\n + 0.2051 * VLVOO1 + 0.1764 * VLVOO2 #4.0e-11;\n VSVPO3 + OH = OH \n + 0.2181 * VLVPO1 + 0.3063 * VSVPO1\n + 0.0153 * VSVPO2 + 0.1043 * VSVPO3\n + 0.1893 * VLVOO1 + 0.1668 * VLVOO2 #4.0e-11;\n VIVPO1 + OH = OH \n + 0.2412 * VLVPO1 + 0.2089 * VSVPO1\n + 0.3000 * VSVPO2 + 0.2028 * VLVOO1\n + 0.0471 * VLVOO2 #4.0e-11;\n VLVOO1 + OH = OH \n + 0.6664 * VLVOO1 + 0.0143 * VLVOO2\n + 0.0123 * VSVOO1 + 0.1239 * VSVOO2\n + 0.1831 * VSVOO3 #4.0e-11;\n VLVOO2 + OH = OH \n + 0.2858 * VLVOO1 + 0.3931 * VLVOO2\n + 0.0139 * VSVOO1 + 0.1027 * VSVOO2\n + 0.2045 * VSVOO3 #4.0e-11;\n VSVOO1 + OH = OH \n + 0.3303 * VLVOO1 + 0.2272 * VLVOO2\n + 0.2607 * VSVOO1 + 0.0702 * VSVOO2\n + 0.1116 * VSVOO3 #4.0e-11;\n VSVOO2 + OH = OH \n + 0.3444 * VLVOO1 + 0.2749 * VLVOO2\n + 0.0491 * VSVOO1 + 0.2577 * VSVOO2\n + 0.0739 * VSVOO3 #4.0e-11;\n VSVOO3 + OH = OH \n + 0.3886 * VLVOO1 + 0.2421 * VLVOO2\n + 0.0640 * VSVOO1 + 0.0385 * VSVOO2\n + 0.2667 * VSVOO3 #4.0e-11; \n \n! organic heterogeneous reactions \n\n IEPOX = AISO3J # 1.0~;\n\nendmech\n\nconstants\n< C1> ATM_AIR = 1.0E+06\n< C2> ATM_H2 = 0.56\n< C3> ATM_N2 = 0.7808E+06\n< C4> ATM_O2 = 0.2095E+06\n< C5> ATM_CH4 = 1.85\nend constants\n\n\n" }, { "path": "CCTM/src/MECHS/saprc07tc_ae6_aq/pa_saprc07tc_ae6_aq.ctl", "content": "! for saprc07tc_ae6_aq\n!\n!=======================================================================\n! IPR_OUTPUTS\n!=======================================================================\nIPR_OUTPUT O3 = CHEM+DDEP+CLDS+AERO+TRNM;\nIPR_OUTPUT HNO3 = CHEM+DDEP+CLDS+AERO;\nIPR_OUTPUT PAN = CHEM+DDEP+CLDS+AERO+TRNM;\nIPR_OUTPUT N2O5 = CHEM+DDEP+CLDS+AERO;\n\nDEFINE FAMILY EC = AECI + AECJ;\nIPR_OUTPUT EC = COAG + EMIS + HADV;\nIPR_OUTPUT ASO4J = COND + COAG + EMIS + CHEM + VDIF + CLDS;\nIPR_OUTPUT ASO4I = NPF + COND + COAG + EMIS + CHEM + VDIF +CLDS;\nIPR_OUTPUT NUMATKN;\n!IPR_OUTPUT NUMACC;\n!IPR_OUTPUT NUMCOR;\n!\nENDPA;\n" }, { "path": "CCTM/src/MECHS/saprc07tic_ae7i_aq/AE_saprc07tic_ae7i_aq.nml", "content": "&AE_nml\n\nAE_SPECIES_DATA = \n\n!SPECIES ,MOLWT ,Aitken ,Accum ,Coarse ,OPTICS ,IC ,ICFAC ,BC ,BC_FAC ,DRYDEP SURR ,FAC ,WET-SCAV SURR ,FAC ,AE2AQ SURR ,TRNS ,DDEP ,WDEP ,CONC\n'ASO4' , 96.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'SO4' , 1 ,'SO4' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ANH4' , 18.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'NH4' , 1 ,'NH4' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ANO3' , 62.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'NO3' , 1 ,'NO3' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ANA' , 23.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'NA' , 1 ,'NA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ACL' , 35.50 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'CL' , 1 ,'CL' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AISO1' ,132.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AISO2' ,133.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASQT' ,273.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AORGC' ,177.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'AORGC' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AEC' , 12.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'EC' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AOTHR' ,200.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'PRI' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AFE' , 55.80 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'FE' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AAL' , 27.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'PRI' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASI' , 28.10 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'PRI' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ATI' , 47.90 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'PRI' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ACA' , 40.10 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'CA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMG' , 24.30 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'MG' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AK' , 39.10 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'K' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMN' , 54.90 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'MN' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ACORS' ,100.00 ,F ,F ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'ANTH' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASOIL' ,100.00 ,F ,F ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'SOIL' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'NUM' , 1.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VNUM' , 1 ,'NUM' , 1 ,'NUM' ,'Yes' ,'' ,'' ,'Yes',\n'SRF' , 1.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VSRF' , 1 ,'SRF' , 1 ,'SRF' ,'Yes' ,'' ,'' ,'Yes',\n'AORGH2O' , 18.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'H2O' , 1 ,'H2O' ,'Yes' ,'' ,'' ,'Yes',\n'AH2O' , 18.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'H2O' , 1 ,'H2O' ,'Yes' ,'' ,'' ,'Yes',\n'AH3OP' , 19.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'' ,-1 ,'' ,'Yes' ,'' ,'' ,'Yes',\n'ASEACAT' , 23.75 ,F ,F ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'SEAS' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AISO3' ,168.20 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AOLGA' ,206.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AOLGB' ,248.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AGLY' , 66.40 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMTNO3' ,231.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AISOPNN' ,226.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMTHYD' ,186.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AIETET' ,136.15 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AIEOS' ,216.20 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ADIM' ,248.23 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AIMGA' ,120.10 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AIMOS' ,200.16 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'APOC' ,220.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes', \n'APNCOM' ,220.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes', \n'APCSO' ,170.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ALVPO1' ,218.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASVPO1' ,230.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASVPO2' ,241.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASVPO3' ,253.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AIVPO1' ,266.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ALVOO1' ,136.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ALVOO2' ,136.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASVOO1' ,135.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASVOO2' ,135.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASVOO3' ,134.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AAVB1' ,198.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AAVB2' ,179.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AAVB3' ,169.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AAVB4' ,158.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMT1' ,300.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMT2' ,200.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMT3' ,186.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMT4' ,184.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMT5' ,170.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMT6' ,168.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes', \n/ \n" }, { "path": "CCTM/src/MECHS/saprc07tic_ae7i_aq/CMAQ_Control_DESID_saprc07tic_ae7i_aq.nml", "content": "!------------------------------------------------------------------------------!\n! Emission Control Interface !\n! for the !\n! Detailed Emissions Scaling, Isolation, and Diagnostics (DESID) Module, !\n! part of the !\n! Community Multiscale Air Quality (CMAQ) Model !\n! developed and maintained by the !\n! Center for Environmental Measurement and Modeling (CEMM), !\n! Office of Research and Development (ORD) !\n! U.S. Environmental Protection Agency (USEPA) !\n! !\n! This namelist is consistent with CMAQv5.4 (Release AUGUST 2022) !\n! !\n! See CMAQ User's Guide Appendix B (https://github.com/USEPA/CMAQ/blob/main/ !\n! DOCS/Users_Guide/Appendix/CMAQ_UG_appendixB_emissions_control.md) !\n! and Murphy et al., Geoscientific Model Development, 14, 3407-3420, !\n! https://doi.org/10.5194/gmd-14-3407-2021, 2021. !\n!------------------------------------------------------------------------------!\n\n!------------------------------------------------------------------------------!\n! Emissions Scaling Rule Specification Component !\n! Each rule is presented as a row of inputs. The syntax of the !\n! emissions scaling rules is the following: !\n! EM_INSTR(I) = 'Region Label', 'Stream Label', 'Emission-Species', !\n! 'CMAQ-Species', 'Phase/Mode', 'Scale Factor', 'Basis', !\n! 'Operation' !\n! !\n! See the User's Guide for detailed definitions of each field. !\n! !\n! You may confirm the effect of the (default and custom) rules below by !\n! inspecting the processor-dependent log files (\"CTM_LOG_XXX...\") !\n! !\n! Note: If no rules are provided for a species, then there is no emission !\n! of that species. !\n!------------------------------------------------------------------------------!\n&Desid_ScalingVars\n Desid_Max_Rules = 2000\n/\n\n&Desid_Scaling\n Desid_Rules_nml =\n\n ! Region | Stream Label |Emission | CMAQ- |Phase/|Scale |Basis |Op \n ! Label | |Species | Species |Mode |Factor| | \n \n ! Gases \n 'EVERYWHERE', 'ALL' ,'NO2' ,'NO2' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'NO' ,'NO' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'HONO' ,'HONO' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'CO' ,'CO' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'SO2' ,'SO2' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'NH3' ,'NH3' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'HCHO' ,'HCHO' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'MEOH' ,'MEOH' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'AACD' ,'CCOOH' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'CCOOH' ,'CCOOH' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PACD' ,'RCOOH' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'RNO3' ,'RNO3' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ACET' ,'ACETONE' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ACETONE' ,'ACETONE' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'CRES' ,'CRES' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'CCHO' ,'CCHO' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'RCHO' ,'RCHO' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'MEK' ,'MEK' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'FACD' ,'HCOOH' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'HCOOH' ,'HCOOH' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PRD2' ,'PRD2' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'MGLY' ,'MGLY' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'IPRD' ,'IPRD' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'GLY' ,'GLY' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'BACL' ,'BACL' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'BALD' ,'BALD' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'MACR' ,'MACR' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'MVK' ,'MVK' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ACRO' ,'ACROLEIN' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ACROLEIN' ,'ACROLEIN' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ETHE' ,'ETHENE' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ETHENE' ,'ETHENE' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PRPE' ,'PROPENE' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PROPENE' ,'PROPENE' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'BDE13' ,'BUTADIENE13' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ISOP' ,'ISOPRENE' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ISOPRENE' ,'ISOPRENE' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'APIN' ,'APIN' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ACYE' ,'ACETYLENE' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'BENZ' ,'BENZENE' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'TOLU' ,'TOLUENE' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'MXYL' ,'MXYL' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'OXYL' ,'OXYL' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PXYL' ,'PXYL' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'B124' ,'TMBENZ124' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ETOH' ,'ETOH' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ALK1' ,'ALK1' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ALK2' ,'ALK2' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ALK3' ,'ALK3' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ALK4' ,'ALK4' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ALK5' ,'ALK5' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'SOAALK' ,'SOAALK' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'OLE1' ,'OLE1' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'OLE2' ,'OLE2' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ARO1' ,'ARO1' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ARO2MN' ,'ARO2MN' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'NAPHTHALENE','NAPHTHAL' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'TERP' ,'TERP' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'SESQ' ,'SESQ' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'CL2' ,'CL2' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'HCL' ,'HCL' ,'GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'HCHO' ,'HCHO_PRIMARY','GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'CCHO' ,'CCHO_PRIMARY','GAS' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'ACRO' ,'ACRO_PRIMARY','GAS' ,1. ,'UNIT','a', \n\n ! Fine-Mode Aerosols\n 'EVERYWHERE', 'ALL' ,'SULF' ,'ASO4' ,'FINE' ,1. ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PSO4' ,'ASO4' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PNH4' ,'ANH4' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PNO3' ,'ANO3' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PCL' ,'ACL' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PNA' ,'ANA' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PEC' ,'AEC' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMOTHR' ,'AOTHR' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PFE' ,'AFE' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PAL' ,'AAL' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PSI' ,'ASI' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PTI' ,'ATI' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PCA' ,'ACA' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMG' ,'AMG' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PK' ,'AK' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMN' ,'AMN' ,'FINE' ,1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PH2O' ,'AH2O' ,'FINE' ,1. ,'UNIT','a', \n \n ! Coarse-Mode Inorganic Ions Scaling \n 'EVERYWHERE', 'ALL' ,'PMC' ,'ACORS' ,'COARSE',0.99675,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMC' ,'ASO4' ,'COARSE',0.001 ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMC' ,'ANO3' ,'COARSE',0.00048,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMC' ,'ACL' ,'COARSE',0.00145,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMC' ,'AH2O' ,'COARSE',0.00032,'UNIT','a', \n\n ! Fine-Mode Primary Organic Aerosol Scaling\n ! --> Nonvolatile POA\n 'EVERYWHERE', 'ALL' ,'POC' ,'APOC' ,'FINE',0. ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'APNCOM' ,'FINE',0. ,'MASS','a', \n ! --> Semivolatile POA (see CMAQ User's Guide Appendix B.2.2.1)\n 'EVERYWHERE', 'ALL' ,'POC' ,'VSVPO1' ,'GAS' ,0.045,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'VSVPO1' ,'GAS' ,0.045,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'POC' ,'VSVPO2' ,'GAS' ,0.14 ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'VSVPO2' ,'GAS' ,0.14 ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'POC' ,'VSVPO3' ,'GAS' ,0.18 ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'VSVPO3' ,'GAS' ,0.18 ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'POC' ,'VIVPO1' ,'GAS' ,0.50 ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'VIVPO1' ,'GAS' ,0.50 ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'POC' ,'ALVPO1' ,'FINE',0.09 ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'ALVPO1' ,'FINE',0.09 ,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'POC' ,'ASVPO1' ,'FINE',0.045,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'ASVPO1' ,'FINE',0.045,'MASS','a', \n \n ! pcSOA is a CMAQ species introduced to account for missing pathways for SOA\n ! formation from combustion sources. It accounts for IVOC oxidation as well as \n ! other phenomena (Murphy et al., ACP, 2017). It was parameterized based on data\n ! primarily from Los Angeles, where vehicle exhaust continues to dominate.\n 'EVERYWHERE', 'ALL' ,'POC' ,'PCVOC' ,'GAS' ,6.579,'MASS','a', \n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'PCVOC' ,'GAS' ,6.579,'MASS','a', \n\n ! However, the added pcSOA is probably inappropriate for Fire sources, especially\n ! in its current configuration. This pathway should be zeroed out for all fire\n ! and wood-burning related sources.\n 'EVERYWHERE', 'PT_FIRES' ,'ALL' ,'PCVOC' ,'GAS' ,0.0 ,'MASS','o', \n 'EVERYWHERE', 'PT_RXFIRES' ,'ALL' ,'PCVOC' ,'GAS' ,0.0 ,'MASS','o', \n 'EVERYWHERE', 'PT_AGFIRES' ,'ALL' ,'PCVOC' ,'GAS' ,0.0 ,'MASS','o', \n 'EVERYWHERE', 'PT_OTHFIRES' ,'ALL' ,'PCVOC' ,'GAS' ,0.0 ,'MASS','o', \n 'EVERYWHERE', 'PT_FIRES_MXCA','ALL' ,'PCVOC' ,'GAS' ,0.0 ,'MASS','o', \n 'EVERYWHERE', 'GR_RES_FIRES' ,'ALL' ,'PCVOC' ,'GAS' ,0.0 ,'MASS','o', \n \n ! Wind-Blown Dust and Sea Spray Scaling\n ! Fine Components\n 'EVERYWHERE', 'ALL' ,'PMFINE_LVPO1','ALVPO1' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_LVOO1','ALVOO1' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_SO4' ,'ASO4' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_NO3' ,'ANO3' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_CL' ,'ACL' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_NH4' ,'ANH4' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_NA' ,'ANA' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_CA' ,'ACA' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_MG' ,'AMG' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_K' ,'AK' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_FE' ,'AFE' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_AL' ,'AAL' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_SI' ,'ASI' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_TI' ,'ATI' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_MN' ,'AMN' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_H2O' ,'AH2O' ,'FINE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMFINE_OTHR' ,'AOTHR' ,'FINE',1. ,'UNIT','a', \n\n ! Wind-Blown Dust and Sea Spray Scaling\n ! Coarse Components \n 'EVERYWHERE', 'ALL' ,'PMCOARSE_SO4','ASO4' ,'COARSE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMCOARSE_NO3','ANO3' ,'COARSE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMCOARSE_CL' ,'ACL' ,'COARSE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMCOARSE_H2O','AH2O' ,'COARSE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMCOARSE_SOIL','ASOIL' ,'COARSE',1. ,'UNIT','a', \n 'EVERYWHERE', 'ALL' ,'PMCOARSE_SEACAT','ASEACAT' ,'COARSE',1. ,'UNIT','a', \n \n/\n\n" }, { "path": "CCTM/src/MECHS/saprc07tic_ae7i_aq/CSQY_DATA_saprc07tic_ae7i_aq", "content": "Table for Mechanism = SAPRC07TIC_AE7I_AQ \nNPHOTAB = 40\n!Individual rates listed below:\nNO2_06 \nNO3NO_06 \nNO3NO2_6 \nO3O1D_06 \nO3O3P_06 \nHONO_06 \nHNO3 \nHNO4_06 \nH2O2 \nPAN \nHCHOR_06 \nHCHOM_06 \nCCHO_R \nC2CHO \nACET_06 \nMEK_06 \nCOOH \nGLY_07R \nGLY_07M \nMGLY_06 \nBACL_07 \nBALD_06 \nAFG1 \nMVK_06 \nMACR_06 \nIC3ONO2 \nHOCCHO_IUPAC \nACRO_09 \nPAA \nCL2 \nCLNO_06 \nCLONO \nCLNO2 \nCLONO2_1 \nCLONO2_2 \nHOCL_06 \nCLCCHO \nCLACET \nHPALD \nNOA \nNTEMP = 6\n! I TEMP( I ) K\n 1 210.00\n 2 230.00\n 3 250.00\n 4 270.00\n 5 290.00\n 6 310.00\n! Wavelength and Photolysis Rate Parameters for CMAQ In-Line Photolysis\n! calculation . The values are determined by averaging technique over the below\n! number of wavelength bins. The technique employs an approach used by the FASTJX\n! versions 6 and 7.\n!References:\n! 1) Bian, H. S. and Prather, M. J.: Fast-J2: accurate simulation of stratospheric\n! photolysis in global chemical models, J. Atmos. Chem., 41, 281-296\n doi:10.1023/A:1014980619462, 2002.\n! 2) Hsu, J. and Prather, M. J.: Stratospheric variability and tropospheric ozone,\n! J. Geophys. Res., 114, D06102, doi:10.1029/2008JD010942, 2009.\n! 3) Prather, M. J.: Fast-JX versions and utilities, available at:\n! http://www.ess.uci.edu/researchgrp/prather/scholar_software/fast-jx\n! (last accessed: 24 January 2014), 2014.\n! Wave bands and Solar Flux\n! \nN_INLINE_BAND = 7\n! I, START_WL_BIN(nm), EFFECT_WL_BIN_(nm), END_WL_BIN_(nm), photon_flux(cm-2*s-1), \n 1, 291.000, 294.590, 298.300, 5.8828E+14, \n 2, 298.300, 303.151, 307.500, 7.6354E+14, \n 3, 307.500, 310.007, 312.500, 5.0412E+14, \n 4, 312.500, 316.434, 320.300, 8.9628E+14, \n 5, 320.300, 333.076, 345.000, 3.8537E+15, \n 6, 345.000, 381.997, 412.500, 1.5457E+16, \n 7, 412.500, 607.723, 850.000, 2.1307E+17, \n!... CS = absorption cross sections averaged over UCI Solar Flux\n!... QY = quantum yields averaged over UCI Solar Flux\n!... EQY = eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n!PHOTAB QUANTITY TEMP WBIN( 1) WBIN( 2) WBIN( 3) WBIN( 4) WBIN( 5) WBIN( 6) WBIN( 7)\nNO2_06 CS 210.000 1.063921E-19 1.489476E-19 1.911589E-19 2.368089E-19 3.715161E-19 5.867486E-19 1.216142E-20\nNO2_06 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 7.871307E-01 2.012091E-02\nNO2_06 CS 230.000 1.065452E-19 1.488762E-19 1.907597E-19 2.355477E-19 3.679235E-19 5.852241E-19 1.213006E-20\nNO2_06 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 7.871307E-01 2.012091E-02\nNO2_06 CS 250.000 1.068513E-19 1.487335E-19 1.899615E-19 2.330251E-19 3.607383E-19 5.821752E-19 1.206733E-20\nNO2_06 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 7.879280E-01 2.081692E-02\nNO2_06 CS 270.000 1.071574E-19 1.485908E-19 1.891632E-19 2.305026E-19 3.535530E-19 5.791262E-19 1.200460E-20\nNO2_06 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 7.959008E-01 2.777702E-02\nNO2_06 CS 290.000 1.074636E-19 1.484480E-19 1.883650E-19 2.279800E-19 3.463678E-19 5.760772E-19 1.194188E-20\nNO2_06 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 8.038736E-01 3.473711E-02\nNO2_06 CS 310.000 1.075248E-19 1.484195E-19 1.882053E-19 2.274755E-19 3.449308E-19 5.754674E-19 1.192933E-20\nNO2_06 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 8.070627E-01 3.752115E-02\nNO3NO_06 CS 210.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 5.262113E-21 1.613590E-18\nNO3NO_06 EQY 210.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 8.130509E-02\nNO3NO_06 CS 230.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.993950E-21 1.531360E-18\nNO3NO_06 EQY 230.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 8.048424E-02\nNO3NO_06 CS 250.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.713711E-21 1.445427E-18\nNO3NO_06 EQY 250.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 8.024673E-02\nNO3NO_06 CS 270.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.425707E-21 1.357113E-18\nNO3NO_06 EQY 270.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 8.000923E-02\nNO3NO_06 CS 290.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.133394E-21 1.267477E-18\nNO3NO_06 EQY 290.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 7.977173E-02\nNO3NO_06 CS 310.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 3.839497E-21 1.177355E-18\nNO3NO_06 EQY 310.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 7.967671E-02\nNO3NO2_6 CS 210.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 5.262113E-21 1.613590E-18\nNO3NO2_6 EQY 210.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00 5.942736E-01\nNO3NO2_6 CS 230.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.993950E-21 1.531360E-18\nNO3NO2_6 EQY 230.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00 6.050572E-01\nNO3NO2_6 CS 250.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.713711E-21 1.445427E-18\nNO3NO2_6 EQY 250.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00 6.142171E-01\nNO3NO2_6 CS 270.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.425707E-21 1.357113E-18\nNO3NO2_6 EQY 270.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00 6.233770E-01\nNO3NO2_6 CS 290.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 4.133394E-21 1.267477E-18\nNO3NO2_6 EQY 290.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00 6.325368E-01\nNO3NO2_6 CS 310.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 3.839497E-21 1.177355E-18\nNO3NO2_6 EQY 310.000 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 1.000000E+00 6.362008E-01\nO3O1D_06 CS 210.000 7.688467E-19 2.422055E-19 8.920470E-20 3.650450E-20 4.746825E-21 6.139220E-23 1.666851E-21\nO3O1D_06 EQY 210.000 9.000000E-01 8.958209E-01 5.714505E-01 2.310225E-01 1.023619E-01 7.086942E-02 0.000000E+00\nO3O1D_06 CS 230.000 7.803585E-19 2.474376E-19 9.195177E-20 3.806528E-20 5.075878E-21 6.139220E-23 1.666851E-21\nO3O1D_06 EQY 230.000 9.000000E-01 8.958209E-01 5.714505E-01 2.310225E-01 1.023619E-01 7.086942E-02 0.000000E+00\nO3O1D_06 CS 250.000 7.995448E-19 2.561579E-19 9.653022E-20 4.066658E-20 5.624299E-21 6.139220E-23 1.666851E-21\nO3O1D_06 EQY 250.000 9.000000E-01 8.958209E-01 5.714505E-01 2.310225E-01 1.023619E-01 7.086942E-02 0.000000E+00\nO3O1D_06 CS 270.000 8.187311E-19 2.648782E-19 1.011087E-19 4.326788E-20 6.172721E-21 6.139220E-23 1.666851E-21\nO3O1D_06 EQY 270.000 9.000000E-01 8.958209E-01 5.714505E-01 2.310225E-01 1.023619E-01 7.086942E-02 0.000000E+00\nO3O1D_06 CS 290.000 8.379175E-19 2.735984E-19 1.056871E-19 4.586918E-20 6.721143E-21 6.139220E-23 1.666851E-21\nO3O1D_06 EQY 290.000 9.000000E-01 8.958209E-01 5.714505E-01 2.310225E-01 1.023619E-01 7.086942E-02 0.000000E+00\nO3O1D_06 CS 310.000 8.407954E-19 2.749065E-19 1.063739E-19 4.625938E-20 6.803406E-21 6.139220E-23 1.666851E-21\nO3O1D_06 EQY 310.000 9.000000E-01 8.958209E-01 5.714505E-01 2.310225E-01 1.023619E-01 7.086942E-02 0.000000E+00\nO3O3P_06 CS 210.000 7.688467E-19 2.422055E-19 8.920470E-20 3.650450E-20 4.746825E-21 6.139220E-23 1.666851E-21\nO3O3P_06 EQY 210.000 1.000000E-01 1.041791E-01 4.285495E-01 7.689775E-01 8.976381E-01 9.291306E-01 1.000000E+00\nO3O3P_06 CS 230.000 7.803585E-19 2.474376E-19 9.195177E-20 3.806528E-20 5.075878E-21 6.139220E-23 1.666851E-21\nO3O3P_06 EQY 230.000 1.000000E-01 1.041791E-01 4.285495E-01 7.689775E-01 8.976381E-01 9.291306E-01 1.000000E+00\nO3O3P_06 CS 250.000 7.995448E-19 2.561579E-19 9.653022E-20 4.066658E-20 5.624299E-21 6.139220E-23 1.666851E-21\nO3O3P_06 EQY 250.000 1.000000E-01 1.041791E-01 4.285495E-01 7.689775E-01 8.976381E-01 9.291306E-01 1.000000E+00\nO3O3P_06 CS 270.000 8.187311E-19 2.648782E-19 1.011087E-19 4.326788E-20 6.172721E-21 6.139220E-23 1.666851E-21\nO3O3P_06 EQY 270.000 1.000000E-01 1.041791E-01 4.285495E-01 7.689775E-01 8.976381E-01 9.291306E-01 1.000000E+00\nO3O3P_06 CS 290.000 8.379175E-19 2.735984E-19 1.056871E-19 4.586918E-20 6.721143E-21 6.139220E-23 1.666851E-21\nO3O3P_06 EQY 290.000 1.000000E-01 1.041791E-01 4.285495E-01 7.689775E-01 8.976381E-01 9.291306E-01 1.000000E+00\nO3O3P_06 CS 310.000 8.407954E-19 2.749065E-19 1.063739E-19 4.625938E-20 6.803406E-21 6.139220E-23 1.666851E-21\nO3O3P_06 EQY 310.000 1.000000E-01 1.041791E-01 4.285495E-01 7.689775E-01 8.976381E-01 9.291306E-01 1.000000E+00\nHONO_06 CS 210.000 5.486960E-21 9.335561E-21 1.881716E-20 3.188688E-20 9.007190E-20 6.903974E-20 0.000000E+00\nHONO_06 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHONO_06 CS 230.000 5.486960E-21 9.335561E-21 1.881716E-20 3.188688E-20 9.007190E-20 6.903974E-20 0.000000E+00\nHONO_06 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHONO_06 CS 250.000 5.486960E-21 9.335561E-21 1.881716E-20 3.188688E-20 9.007190E-20 6.903974E-20 0.000000E+00\nHONO_06 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHONO_06 CS 270.000 5.486960E-21 9.335561E-21 1.881716E-20 3.188688E-20 9.007190E-20 6.903974E-20 0.000000E+00\nHONO_06 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHONO_06 CS 290.000 5.486960E-21 9.335561E-21 1.881716E-20 3.188688E-20 9.007190E-20 6.903974E-20 0.000000E+00\nHONO_06 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHONO_06 CS 310.000 5.486960E-21 9.335561E-21 1.881716E-20 3.188688E-20 9.007190E-20 6.903974E-20 0.000000E+00\nHONO_06 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHNO3 CS 210.000 3.467455E-21 1.445160E-21 5.805415E-22 2.242891E-22 2.067990E-23 3.702586E-25 0.000000E+00\nHNO3 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHNO3 CS 230.000 3.652523E-21 1.547813E-21 6.324548E-22 2.505341E-22 2.500608E-23 3.741136E-25 0.000000E+00\nHNO3 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHNO3 CS 250.000 3.847468E-21 1.657759E-21 6.890104E-22 2.798501E-22 3.023729E-23 3.780088E-25 0.000000E+00\nHNO3 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHNO3 CS 270.000 4.052817E-21 1.775513E-21 7.506232E-22 3.125965E-22 3.656285E-23 3.819445E-25 0.000000E+00\nHNO3 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHNO3 CS 290.000 4.269127E-21 1.901633E-21 8.177456E-22 3.491748E-22 4.421170E-23 3.859212E-25 0.000000E+00\nHNO3 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHNO3 CS 310.000 4.496982E-21 2.036711E-21 8.908702E-22 3.900332E-22 5.346067E-23 3.899393E-25 0.000000E+00\nHNO3 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHNO4_06 CS 210.000 2.304384E-20 9.096075E-21 3.982238E-21 1.967965E-21 3.989911E-22 2.966497E-24 0.000000E+00\nHNO4_06 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.707375E-01 0.000000E+00\nHNO4_06 CS 230.000 2.352148E-20 9.427218E-21 4.199442E-21 2.111267E-21 4.526804E-22 4.112208E-24 0.000000E+00\nHNO4_06 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.707375E-01 0.000000E+00\nHNO4_06 CS 250.000 2.420943E-20 9.904153E-21 4.512274E-21 2.317659E-21 5.300073E-22 5.762332E-24 0.000000E+00\nHNO4_06 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.707375E-01 0.000000E+00\nHNO4_06 CS 270.000 2.513335E-20 1.054469E-20 4.932417E-21 2.594850E-21 6.338596E-22 7.978499E-24 0.000000E+00\nHNO4_06 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.707375E-01 0.000000E+00\nHNO4_06 CS 290.000 2.630871E-20 1.135955E-20 5.466901E-21 2.947478E-21 7.659752E-22 1.079779E-23 0.000000E+00\nHNO4_06 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.707375E-01 0.000000E+00\nHNO4_06 CS 310.000 2.774130E-20 1.235273E-20 6.118354E-21 3.377277E-21 9.270035E-22 1.423407E-23 0.000000E+00\nHNO4_06 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 9.707375E-01 0.000000E+00\nH2O2 CS 210.000 8.485594E-21 5.095013E-21 3.367998E-21 2.272897E-21 8.877982E-22 3.606273E-23 0.000000E+00\nH2O2 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nH2O2 CS 230.000 8.608173E-21 5.190514E-21 3.446407E-21 2.336332E-21 9.231624E-22 3.606273E-23 0.000000E+00\nH2O2 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nH2O2 CS 250.000 8.773683E-21 5.319463E-21 3.552278E-21 2.421983E-21 9.709122E-22 3.606273E-23 0.000000E+00\nH2O2 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nH2O2 CS 270.000 8.984030E-21 5.483344E-21 3.686830E-21 2.530838E-21 1.031598E-21 3.606273E-23 0.000000E+00\nH2O2 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nH2O2 CS 290.000 9.239086E-21 5.682058E-21 3.849979E-21 2.662829E-21 1.105182E-21 3.606273E-23 0.000000E+00\nH2O2 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nH2O2 CS 310.000 9.537050E-21 5.914203E-21 4.040577E-21 2.817027E-21 1.191145E-21 3.606273E-23 0.000000E+00\nH2O2 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nPAN CS 210.000 1.757257E-21 6.605769E-22 3.009928E-22 1.557563E-22 3.361570E-23 1.523437E-24 0.000000E+00\nPAN EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nPAN CS 230.000 2.059176E-21 7.858164E-22 3.614192E-22 1.889101E-22 4.220009E-23 1.539962E-24 0.000000E+00\nPAN EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nPAN CS 250.000 2.412968E-21 9.348001E-22 4.339766E-22 2.291210E-22 5.297667E-23 1.556667E-24 0.000000E+00\nPAN EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nPAN CS 270.000 2.827546E-21 1.112030E-21 5.211004E-22 2.778910E-22 6.650525E-23 1.573554E-24 0.000000E+00\nPAN EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nPAN CS 290.000 3.313354E-21 1.322861E-21 6.257149E-22 3.370421E-22 8.348861E-23 1.590623E-24 0.000000E+00\nPAN EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nPAN CS 310.000 3.882630E-21 1.573663E-21 7.513316E-22 4.087839E-22 1.048090E-22 1.607877E-24 0.000000E+00\nPAN EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHCHOR_06 CS 210.000 3.183384E-20 3.299331E-20 1.538393E-20 3.249087E-20 1.802330E-20 7.437772E-22 0.000000E+00\nHCHOR_06 EQY 210.000 6.832129E-01 7.261769E-01 7.198996E-01 6.861672E-01 3.074194E-01 0.000000E+00 0.000000E+00\nHCHOR_06 CS 230.000 3.180369E-20 3.299110E-20 1.537530E-20 3.251407E-20 1.803360E-20 7.432948E-22 0.000000E+00\nHCHOR_06 EQY 230.000 6.832129E-01 7.261769E-01 7.198996E-01 6.861672E-01 3.074194E-01 0.000000E+00 0.000000E+00\nHCHOR_06 CS 250.000 3.177353E-20 3.298890E-20 1.536667E-20 3.253727E-20 1.804389E-20 7.428123E-22 0.000000E+00\nHCHOR_06 EQY 250.000 6.832129E-01 7.261769E-01 7.198996E-01 6.861672E-01 3.074194E-01 0.000000E+00 0.000000E+00\nHCHOR_06 CS 270.000 3.174337E-20 3.298670E-20 1.535803E-20 3.256047E-20 1.805418E-20 7.423299E-22 0.000000E+00\nHCHOR_06 EQY 270.000 6.832129E-01 7.261769E-01 7.198996E-01 6.861672E-01 3.074194E-01 0.000000E+00 0.000000E+00\nHCHOR_06 CS 290.000 3.171321E-20 3.298450E-20 1.534940E-20 3.258367E-20 1.806448E-20 7.418475E-22 0.000000E+00\nHCHOR_06 EQY 290.000 6.832129E-01 7.261769E-01 7.198996E-01 6.861672E-01 3.074194E-01 0.000000E+00 0.000000E+00\nHCHOR_06 CS 310.000 3.169813E-20 3.298339E-20 1.534508E-20 3.259527E-20 1.806962E-20 7.416062E-22 0.000000E+00\nHCHOR_06 EQY 310.000 6.832129E-01 7.261769E-01 7.198996E-01 6.861672E-01 3.074194E-01 0.000000E+00 0.000000E+00\nHCHOM_06 CS 210.000 3.183384E-20 3.299331E-20 1.538393E-20 3.249087E-20 1.802330E-20 7.437772E-22 0.000000E+00\nHCHOM_06 EQY 210.000 2.982965E-01 2.727711E-01 2.802895E-01 3.142615E-01 5.277740E-01 2.118139E-01 0.000000E+00\nHCHOM_06 CS 230.000 3.180369E-20 3.299110E-20 1.537530E-20 3.251407E-20 1.803360E-20 7.432948E-22 0.000000E+00\nHCHOM_06 EQY 230.000 2.982965E-01 2.727711E-01 2.802895E-01 3.142615E-01 5.237901E-01 2.035690E-01 0.000000E+00\nHCHOM_06 CS 250.000 3.177353E-20 3.298890E-20 1.536667E-20 3.253727E-20 1.804389E-20 7.428123E-22 0.000000E+00\nHCHOM_06 EQY 250.000 2.982965E-01 2.727711E-01 2.802895E-01 3.142615E-01 5.155541E-01 1.885748E-01 0.000000E+00\nHCHOM_06 CS 270.000 3.174337E-20 3.298670E-20 1.535803E-20 3.256047E-20 1.805418E-20 7.423299E-22 0.000000E+00\nHCHOM_06 EQY 270.000 2.982965E-01 2.727711E-01 2.802895E-01 3.142615E-01 5.071009E-01 1.754809E-01 0.000000E+00\nHCHOM_06 CS 290.000 3.171321E-20 3.298450E-20 1.534940E-20 3.258367E-20 1.806448E-20 7.418475E-22 0.000000E+00\nHCHOM_06 EQY 290.000 2.982965E-01 2.727711E-01 2.802895E-01 3.142615E-01 4.984759E-01 1.639830E-01 0.000000E+00\nHCHOM_06 CS 310.000 3.169813E-20 3.298339E-20 1.534508E-20 3.259527E-20 1.806962E-20 7.416062E-22 0.000000E+00\nHCHOM_06 EQY 310.000 2.982965E-01 2.727711E-01 2.802895E-01 3.142615E-01 4.940919E-01 1.587278E-01 0.000000E+00\nCCHO_R CS 210.000 4.432586E-20 3.717937E-20 2.933103E-20 2.104728E-20 3.707365E-21 0.000000E+00 0.000000E+00\nCCHO_R EQY 210.000 4.849672E-01 3.934509E-01 2.877448E-01 1.584966E-01 4.676821E-02 0.000000E+00 0.000000E+00\nCCHO_R CS 230.000 4.432586E-20 3.717937E-20 2.933103E-20 2.104728E-20 3.707365E-21 0.000000E+00 0.000000E+00\nCCHO_R EQY 230.000 4.849672E-01 3.934509E-01 2.877448E-01 1.584966E-01 4.676821E-02 0.000000E+00 0.000000E+00\nCCHO_R CS 250.000 4.432586E-20 3.717937E-20 2.933103E-20 2.104728E-20 3.707365E-21 0.000000E+00 0.000000E+00\nCCHO_R EQY 250.000 4.849672E-01 3.934509E-01 2.877448E-01 1.584966E-01 4.676821E-02 0.000000E+00 0.000000E+00\nCCHO_R CS 270.000 4.432586E-20 3.717937E-20 2.933103E-20 2.104728E-20 3.707365E-21 0.000000E+00 0.000000E+00\nCCHO_R EQY 270.000 4.849672E-01 3.934509E-01 2.877448E-01 1.584966E-01 4.676821E-02 0.000000E+00 0.000000E+00\nCCHO_R CS 290.000 4.432586E-20 3.717937E-20 2.933103E-20 2.104728E-20 3.707365E-21 0.000000E+00 0.000000E+00\nCCHO_R EQY 290.000 4.849672E-01 3.934509E-01 2.877448E-01 1.584966E-01 4.676821E-02 0.000000E+00 0.000000E+00\nCCHO_R CS 310.000 4.432586E-20 3.717937E-20 2.933103E-20 2.104728E-20 3.707365E-21 0.000000E+00 0.000000E+00\nCCHO_R EQY 310.000 4.849672E-01 3.934509E-01 2.877448E-01 1.584966E-01 4.676821E-02 0.000000E+00 0.000000E+00\nC2CHO CS 210.000 3.094719E-20 4.634689E-20 3.579653E-20 2.441742E-20 5.808274E-21 0.000000E+00 0.000000E+00\nC2CHO EQY 210.000 7.737634E-01 6.423488E-01 3.555753E-01 1.949012E-01 5.686011E-02 0.000000E+00 0.000000E+00\nC2CHO CS 230.000 3.094719E-20 4.634689E-20 3.579653E-20 2.441742E-20 5.808274E-21 0.000000E+00 0.000000E+00\nC2CHO EQY 230.000 7.737634E-01 6.423488E-01 3.555753E-01 1.949012E-01 5.686011E-02 0.000000E+00 0.000000E+00\nC2CHO CS 250.000 3.094719E-20 4.634689E-20 3.579653E-20 2.441742E-20 5.808274E-21 0.000000E+00 0.000000E+00\nC2CHO EQY 250.000 7.737634E-01 6.423488E-01 3.555753E-01 1.949012E-01 5.686011E-02 0.000000E+00 0.000000E+00\nC2CHO CS 270.000 3.094719E-20 4.634689E-20 3.579653E-20 2.441742E-20 5.808274E-21 0.000000E+00 0.000000E+00\nC2CHO EQY 270.000 7.737634E-01 6.423488E-01 3.555753E-01 1.949012E-01 5.686011E-02 0.000000E+00 0.000000E+00\nC2CHO CS 290.000 3.094719E-20 4.634689E-20 3.579653E-20 2.441742E-20 5.808274E-21 0.000000E+00 0.000000E+00\nC2CHO EQY 290.000 7.737634E-01 6.423488E-01 3.555753E-01 1.949012E-01 5.686011E-02 0.000000E+00 0.000000E+00\nC2CHO CS 310.000 3.094719E-20 4.634689E-20 3.579653E-20 2.441742E-20 5.808274E-21 0.000000E+00 0.000000E+00\nC2CHO EQY 310.000 7.737634E-01 6.423488E-01 3.555753E-01 1.949012E-01 5.686011E-02 0.000000E+00 0.000000E+00\nACET_06 CS 210.000 3.093982E-20 1.932871E-20 1.074082E-20 5.401566E-21 4.431040E-22 8.028801E-25 0.000000E+00\nACET_06 EQY 210.000 3.078033E-01 9.119325E-02 1.255849E-02 1.979718E-03 4.580005E-05 2.815926E-03 0.000000E+00\nACET_06 CS 230.000 3.149499E-20 2.006286E-20 1.149978E-20 5.882838E-21 4.841855E-22 8.025005E-25 0.000000E+00\nACET_06 EQY 230.000 2.833035E-01 9.860657E-02 1.763791E-02 3.588362E-03 1.595251E-04 2.815926E-03 0.000000E+00\nACET_06 CS 250.000 3.221698E-20 2.085074E-20 1.224359E-20 6.367100E-21 5.569519E-22 8.040178E-25 0.000000E+00\nACET_06 EQY 250.000 2.809512E-01 1.160307E-01 2.647062E-02 6.960636E-03 6.743219E-04 2.815926E-03 0.000000E+00\nACET_06 CS 270.000 3.310749E-20 2.165984E-20 1.292394E-20 6.826211E-21 6.654463E-22 8.078511E-25 0.000000E+00\nACET_06 EQY 270.000 2.968808E-01 1.462965E-01 4.266421E-02 1.463851E-02 2.890122E-03 2.815926E-03 0.000000E+00\nACET_06 CS 290.000 3.416823E-20 2.245764E-20 1.349254E-20 7.232033E-21 8.137126E-22 8.144196E-25 0.000000E+00\nACET_06 EQY 290.000 3.304489E-01 1.933462E-01 7.158442E-02 3.118674E-02 1.028313E-02 2.815926E-03 0.000000E+00\nACET_06 CS 310.000 3.540091E-20 2.321163E-20 1.390108E-20 7.556429E-21 1.005795E-21 8.241424E-25 0.000000E+00\nACET_06 EQY 310.000 3.799048E-01 2.592952E-01 1.186578E-01 6.243775E-02 2.927807E-02 2.815926E-03 0.000000E+00\nMEK_06 CS 210.000 4.166522E-20 2.686872E-20 1.573254E-20 7.723365E-21 8.066992E-22 1.609625E-25 0.000000E+00\nMEK_06 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nMEK_06 CS 230.000 4.166522E-20 2.686872E-20 1.573254E-20 7.723365E-21 8.066992E-22 1.609625E-25 0.000000E+00\nMEK_06 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nMEK_06 CS 250.000 4.166522E-20 2.686872E-20 1.573254E-20 7.723365E-21 8.066992E-22 1.609625E-25 0.000000E+00\nMEK_06 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nMEK_06 CS 270.000 4.166522E-20 2.686872E-20 1.573254E-20 7.723365E-21 8.066992E-22 1.609625E-25 0.000000E+00\nMEK_06 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nMEK_06 CS 290.000 4.166522E-20 2.686872E-20 1.573254E-20 7.723365E-21 8.066992E-22 1.609625E-25 0.000000E+00\nMEK_06 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nMEK_06 CS 310.000 4.166522E-20 2.686872E-20 1.573254E-20 7.723365E-21 8.066992E-22 1.609625E-25 0.000000E+00\nMEK_06 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCOOH CS 210.000 5.623467E-21 3.524633E-21 2.410330E-21 1.699588E-21 7.230005E-22 5.395084E-23 0.000000E+00\nCOOH EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCOOH CS 230.000 5.623467E-21 3.524633E-21 2.410330E-21 1.699588E-21 7.230005E-22 5.395084E-23 0.000000E+00\nCOOH EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCOOH CS 250.000 5.623467E-21 3.524633E-21 2.410330E-21 1.699588E-21 7.230005E-22 5.395084E-23 0.000000E+00\nCOOH EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCOOH CS 270.000 5.623467E-21 3.524633E-21 2.410330E-21 1.699588E-21 7.230005E-22 5.395084E-23 0.000000E+00\nCOOH EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCOOH CS 290.000 5.623467E-21 3.524633E-21 2.410330E-21 1.699588E-21 7.230005E-22 5.395084E-23 0.000000E+00\nCOOH EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCOOH CS 310.000 5.623467E-21 3.524633E-21 2.410330E-21 1.699588E-21 7.230005E-22 5.395084E-23 0.000000E+00\nCOOH EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nGLY_07R CS 210.000 3.792117E-20 3.572108E-20 3.194423E-20 2.574261E-20 1.106789E-20 2.757124E-20 1.054177E-20\nGLY_07R EQY 210.000 3.322493E-01 3.432416E-01 3.692827E-01 4.243520E-01 5.564435E-01 1.128644E-01 1.290435E-02\nGLY_07R CS 230.000 3.792117E-20 3.572108E-20 3.194423E-20 2.574261E-20 1.106789E-20 2.757124E-20 1.054177E-20\nGLY_07R EQY 230.000 3.322493E-01 3.432416E-01 3.692827E-01 4.243520E-01 5.564435E-01 1.128644E-01 1.290435E-02\nGLY_07R CS 250.000 3.792117E-20 3.572108E-20 3.194423E-20 2.574261E-20 1.106789E-20 2.757124E-20 1.054177E-20\nGLY_07R EQY 250.000 3.322493E-01 3.432416E-01 3.692827E-01 4.243520E-01 5.564435E-01 1.128644E-01 1.290435E-02\nGLY_07R CS 270.000 3.792117E-20 3.572108E-20 3.194423E-20 2.574261E-20 1.106789E-20 2.757124E-20 1.054177E-20\nGLY_07R EQY 270.000 3.322493E-01 3.432416E-01 3.692827E-01 4.243520E-01 5.564435E-01 1.128644E-01 1.290435E-02\nGLY_07R CS 290.000 3.792117E-20 3.572108E-20 3.194423E-20 2.574261E-20 1.106789E-20 2.757124E-20 1.054177E-20\nGLY_07R EQY 290.000 3.322493E-01 3.432416E-01 3.692827E-01 4.243520E-01 5.564435E-01 1.128644E-01 1.290435E-02\nGLY_07R CS 310.000 3.792117E-20 3.572108E-20 3.194423E-20 2.574261E-20 1.106789E-20 2.757124E-20 1.054177E-20\nGLY_07R EQY 310.000 3.322493E-01 3.432416E-01 3.692827E-01 4.243520E-01 5.564435E-01 1.128644E-01 1.290435E-02\nGLY_07M CS 210.000 3.792117E-20 3.572108E-20 3.194423E-20 2.574261E-20 1.106789E-20 2.757124E-20 1.054177E-20\nGLY_07M EQY 210.000 6.677508E-01 6.567584E-01 6.307371E-01 5.757954E-01 4.436239E-01 1.921121E-02 4.356914E-04\nGLY_07M CS 230.000 3.792117E-20 3.572108E-20 3.194423E-20 2.574261E-20 1.106789E-20 2.757124E-20 1.054177E-20\nGLY_07M EQY 230.000 6.677508E-01 6.567584E-01 6.307371E-01 5.757954E-01 4.436239E-01 1.921121E-02 4.356914E-04\nGLY_07M CS 250.000 3.792117E-20 3.572108E-20 3.194423E-20 2.574261E-20 1.106789E-20 2.757124E-20 1.054177E-20\nGLY_07M EQY 250.000 6.677508E-01 6.567584E-01 6.307371E-01 5.757954E-01 4.436239E-01 1.921121E-02 4.356914E-04\nGLY_07M CS 270.000 3.792117E-20 3.572108E-20 3.194423E-20 2.574261E-20 1.106789E-20 2.757124E-20 1.054177E-20\nGLY_07M EQY 270.000 6.677508E-01 6.567584E-01 6.307371E-01 5.757954E-01 4.436239E-01 1.921121E-02 4.356914E-04\nGLY_07M CS 290.000 3.792117E-20 3.572108E-20 3.194423E-20 2.574261E-20 1.106789E-20 2.757124E-20 1.054177E-20\nGLY_07M EQY 290.000 6.677508E-01 6.567584E-01 6.307371E-01 5.757954E-01 4.436239E-01 1.921121E-02 4.356914E-04\nGLY_07M CS 310.000 3.792117E-20 3.572108E-20 3.194423E-20 2.574261E-20 1.106789E-20 2.757124E-20 1.054177E-20\nGLY_07M EQY 310.000 6.677508E-01 6.567584E-01 6.307371E-01 5.757954E-01 4.436239E-01 1.921121E-02 4.356914E-04\nMGLY_06 CS 210.000 4.380391E-20 3.467071E-20 2.430916E-20 1.788232E-20 6.183676E-21 3.700269E-20 7.910759E-21\nMGLY_06 EQY 210.000 9.568916E-01 9.293678E-01 8.972124E-01 8.583242E-01 7.397596E-01 1.441366E-01 4.043944E-02\nMGLY_06 CS 230.000 4.380391E-20 3.467071E-20 2.430916E-20 1.788232E-20 6.183676E-21 3.700269E-20 7.910759E-21\nMGLY_06 EQY 230.000 9.569005E-01 9.293821E-01 8.972324E-01 8.583509E-01 7.398077E-01 1.441526E-01 4.043944E-02\nMGLY_06 CS 250.000 4.380391E-20 3.467071E-20 2.430916E-20 1.788232E-20 6.183676E-21 3.700269E-20 7.910759E-21\nMGLY_06 EQY 250.000 9.569092E-01 9.293964E-01 8.972526E-01 8.583775E-01 7.398561E-01 1.441687E-01 4.043944E-02\nMGLY_06 CS 270.000 4.380391E-20 3.467071E-20 2.430916E-20 1.788232E-20 6.183676E-21 3.700269E-20 7.910759E-21\nMGLY_06 EQY 270.000 9.569181E-01 9.294107E-01 8.972727E-01 8.584042E-01 7.399043E-01 1.441847E-01 4.043944E-02\nMGLY_06 CS 290.000 4.380391E-20 3.467071E-20 2.430916E-20 1.788232E-20 6.183676E-21 3.700269E-20 7.910759E-21\nMGLY_06 EQY 290.000 9.569269E-01 9.294251E-01 8.972929E-01 8.584309E-01 7.399526E-01 1.442007E-01 4.043944E-02\nMGLY_06 CS 310.000 4.380391E-20 3.467071E-20 2.430916E-20 1.788232E-20 6.183676E-21 3.700269E-20 7.910759E-21\nMGLY_06 EQY 310.000 9.569357E-01 9.294394E-01 8.973130E-01 8.584574E-01 7.400008E-01 1.442167E-01 4.043944E-02\nBACL_07 CS 210.000 2.658386E-20 1.613232E-20 9.254814E-21 6.071191E-21 4.661714E-21 3.201369E-20 4.709774E-21\nBACL_07 EQY 210.000 9.897234E-01 9.822789E-01 9.734015E-01 9.617480E-01 9.039215E-01 3.719448E-01 1.041750E-01\nBACL_07 CS 230.000 2.658386E-20 1.613232E-20 9.254814E-21 6.071191E-21 4.661714E-21 3.201369E-20 4.709774E-21\nBACL_07 EQY 230.000 9.897328E-01 9.822950E-01 9.734252E-01 9.617816E-01 9.039935E-01 3.720514E-01 1.041750E-01\nBACL_07 CS 250.000 2.658386E-20 1.613232E-20 9.254814E-21 6.071191E-21 4.661714E-21 3.201369E-20 4.709774E-21\nBACL_07 EQY 250.000 9.897422E-01 9.823109E-01 9.734489E-01 9.618149E-01 9.040656E-01 3.721582E-01 1.041750E-01\nBACL_07 CS 270.000 2.658386E-20 1.613232E-20 9.254814E-21 6.071191E-21 4.661714E-21 3.201369E-20 4.709774E-21\nBACL_07 EQY 270.000 9.897517E-01 9.823268E-01 9.734727E-01 9.618486E-01 9.041377E-01 3.722649E-01 1.041750E-01\nBACL_07 CS 290.000 2.658386E-20 1.613232E-20 9.254814E-21 6.071191E-21 4.661714E-21 3.201369E-20 4.709774E-21\nBACL_07 EQY 290.000 9.897612E-01 9.823428E-01 9.734963E-01 9.618820E-01 9.042099E-01 3.723717E-01 1.041750E-01\nBACL_07 CS 310.000 2.658386E-20 1.613232E-20 9.254814E-21 6.071191E-21 4.661714E-21 3.201369E-20 4.709774E-21\nBACL_07 EQY 310.000 9.897707E-01 9.823589E-01 9.735200E-01 9.619155E-01 9.042819E-01 3.724787E-01 1.041750E-01\nBALD_06 CS 210.000 4.451981E-19 7.297634E-20 7.090561E-20 8.592461E-20 9.197932E-20 1.679403E-20 0.000000E+00\nBALD_06 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nBALD_06 CS 230.000 4.451981E-19 7.297634E-20 7.090561E-20 8.592461E-20 9.197932E-20 1.679403E-20 0.000000E+00\nBALD_06 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nBALD_06 CS 250.000 4.451981E-19 7.297634E-20 7.090561E-20 8.592461E-20 9.197932E-20 1.679403E-20 0.000000E+00\nBALD_06 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nBALD_06 CS 270.000 4.451981E-19 7.297634E-20 7.090561E-20 8.592461E-20 9.197932E-20 1.679403E-20 0.000000E+00\nBALD_06 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nBALD_06 CS 290.000 4.451981E-19 7.297634E-20 7.090561E-20 8.592461E-20 9.197932E-20 1.679403E-20 0.000000E+00\nBALD_06 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nBALD_06 CS 310.000 4.451981E-19 7.297634E-20 7.090561E-20 8.592461E-20 9.197932E-20 1.679403E-20 0.000000E+00\nBALD_06 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nAFG1 CS 210.000 1.731773E-18 1.412652E-18 1.107261E-18 8.915003E-19 5.026284E-19 1.273166E-19 1.232364E-21\nAFG1 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nAFG1 CS 230.000 1.731773E-18 1.412652E-18 1.107261E-18 8.915003E-19 5.026284E-19 1.273166E-19 1.232364E-21\nAFG1 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nAFG1 CS 250.000 1.731773E-18 1.412652E-18 1.107261E-18 8.915003E-19 5.026284E-19 1.273166E-19 1.232364E-21\nAFG1 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nAFG1 CS 270.000 1.731773E-18 1.412652E-18 1.107261E-18 8.915003E-19 5.026284E-19 1.273166E-19 1.232364E-21\nAFG1 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nAFG1 CS 290.000 1.731773E-18 1.412652E-18 1.107261E-18 8.915003E-19 5.026284E-19 1.273166E-19 1.232364E-21\nAFG1 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nAFG1 CS 310.000 1.731773E-18 1.412652E-18 1.107261E-18 8.915003E-19 5.026284E-19 1.273166E-19 1.232364E-21\nAFG1 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nMVK_06 CS 210.000 3.041510E-20 4.373022E-20 5.436504E-20 6.318700E-20 6.828638E-20 8.056523E-21 0.000000E+00\nMVK_06 EQY 210.000 1.734264E-02 1.099765E-02 7.572843E-03 5.269792E-03 2.269807E-03 9.735132E-04 0.000000E+00\nMVK_06 CS 230.000 3.041510E-20 4.373022E-20 5.436504E-20 6.318700E-20 6.828638E-20 8.056523E-21 0.000000E+00\nMVK_06 EQY 230.000 1.734264E-02 1.099765E-02 7.572843E-03 5.269792E-03 2.269807E-03 9.735132E-04 0.000000E+00\nMVK_06 CS 250.000 3.041510E-20 4.373022E-20 5.436504E-20 6.318700E-20 6.828638E-20 8.056523E-21 0.000000E+00\nMVK_06 EQY 250.000 1.734264E-02 1.099765E-02 7.572843E-03 5.269792E-03 2.269807E-03 9.735132E-04 0.000000E+00\nMVK_06 CS 270.000 3.041510E-20 4.373022E-20 5.436504E-20 6.318700E-20 6.828638E-20 8.056523E-21 0.000000E+00\nMVK_06 EQY 270.000 1.734264E-02 1.099765E-02 7.572843E-03 5.269792E-03 2.269807E-03 9.735132E-04 0.000000E+00\nMVK_06 CS 290.000 3.041510E-20 4.373022E-20 5.436504E-20 6.318700E-20 6.828638E-20 8.056523E-21 0.000000E+00\nMVK_06 EQY 290.000 1.734264E-02 1.099765E-02 7.572843E-03 5.269792E-03 2.269807E-03 9.735132E-04 0.000000E+00\nMVK_06 CS 310.000 3.041510E-20 4.373022E-20 5.436504E-20 6.318700E-20 6.828638E-20 8.056523E-21 0.000000E+00\nMVK_06 EQY 310.000 1.734264E-02 1.099765E-02 7.572843E-03 5.269792E-03 2.269807E-03 9.735132E-04 0.000000E+00\nMACR_06 CS 210.000 2.639069E-20 3.936243E-20 4.989643E-20 5.926228E-20 6.528440E-20 1.326810E-20 0.000000E+00\nMACR_06 EQY 210.000 4.845909E-02 3.034989E-02 2.098906E-02 1.472279E-02 6.294584E-03 1.553480E-03 0.000000E+00\nMACR_06 CS 230.000 2.639069E-20 3.936243E-20 4.989643E-20 5.926228E-20 6.528440E-20 1.326810E-20 0.000000E+00\nMACR_06 EQY 230.000 4.845909E-02 3.034989E-02 2.098906E-02 1.472279E-02 6.294584E-03 1.553480E-03 0.000000E+00\nMACR_06 CS 250.000 2.639069E-20 3.936243E-20 4.989643E-20 5.926228E-20 6.528440E-20 1.326810E-20 0.000000E+00\nMACR_06 EQY 250.000 4.845909E-02 3.034989E-02 2.098906E-02 1.472279E-02 6.294584E-03 1.553480E-03 0.000000E+00\nMACR_06 CS 270.000 2.639069E-20 3.936243E-20 4.989643E-20 5.926228E-20 6.528440E-20 1.326810E-20 0.000000E+00\nMACR_06 EQY 270.000 4.845909E-02 3.034989E-02 2.098906E-02 1.472279E-02 6.294584E-03 1.553480E-03 0.000000E+00\nMACR_06 CS 290.000 2.639069E-20 3.936243E-20 4.989643E-20 5.926228E-20 6.528440E-20 1.326810E-20 0.000000E+00\nMACR_06 EQY 290.000 4.845909E-02 3.034989E-02 2.098906E-02 1.472279E-02 6.294584E-03 1.553480E-03 0.000000E+00\nMACR_06 CS 310.000 2.639069E-20 3.936243E-20 4.989643E-20 5.926228E-20 6.528440E-20 1.326810E-20 0.000000E+00\nMACR_06 EQY 310.000 4.845909E-02 3.034989E-02 2.098906E-02 1.472279E-02 6.294584E-03 1.553480E-03 0.000000E+00\nIC3ONO2 CS 210.000 9.514298E-21 4.530419E-21 2.204171E-21 1.039935E-21 1.393909E-22 0.000000E+00 0.000000E+00\nIC3ONO2 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nIC3ONO2 CS 230.000 9.514298E-21 4.530419E-21 2.204171E-21 1.039935E-21 1.393909E-22 0.000000E+00 0.000000E+00\nIC3ONO2 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nIC3ONO2 CS 250.000 9.980248E-21 4.802258E-21 2.361341E-21 1.133020E-21 1.558919E-22 0.000000E+00 0.000000E+00\nIC3ONO2 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nIC3ONO2 CS 270.000 1.098172E-20 5.395850E-21 2.710103E-21 1.344930E-21 1.949851E-22 0.000000E+00 0.000000E+00\nIC3ONO2 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nIC3ONO2 CS 290.000 1.208369E-20 6.062813E-21 3.110376E-21 1.596473E-21 2.438819E-22 0.000000E+00 0.000000E+00\nIC3ONO2 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nIC3ONO2 CS 310.000 1.329624E-20 6.812218E-21 3.569767E-21 1.895064E-21 3.050405E-22 0.000000E+00 0.000000E+00\nIC3ONO2 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nHOCCHO_IUPAC CS 210.000 3.704782E-20 2.277373E-20 1.257586E-20 5.852344E-21 6.507965E-22 0.000000E+00 0.000000E+00\nHOCCHO_IUPAC EQY 210.000 7.500000E-01 7.500000E-01 7.500000E-01 7.500000E-01 7.500000E-01 0.000000E+00 0.000000E+00\nHOCCHO_IUPAC CS 230.000 3.704782E-20 2.277373E-20 1.257586E-20 5.852344E-21 6.507965E-22 0.000000E+00 0.000000E+00\nHOCCHO_IUPAC EQY 230.000 7.500000E-01 7.500000E-01 7.500000E-01 7.500000E-01 7.500000E-01 0.000000E+00 0.000000E+00\nHOCCHO_IUPAC CS 250.000 3.704782E-20 2.277373E-20 1.257586E-20 5.852344E-21 6.507965E-22 0.000000E+00 0.000000E+00\nHOCCHO_IUPAC EQY 250.000 7.500000E-01 7.500000E-01 7.500000E-01 7.500000E-01 7.500000E-01 0.000000E+00 0.000000E+00\nHOCCHO_IUPAC CS 270.000 3.704782E-20 2.277373E-20 1.257586E-20 5.852344E-21 6.507965E-22 0.000000E+00 0.000000E+00\nHOCCHO_IUPAC EQY 270.000 7.500000E-01 7.500000E-01 7.500000E-01 7.500000E-01 7.500000E-01 0.000000E+00 0.000000E+00\nHOCCHO_IUPAC CS 290.000 3.704782E-20 2.277373E-20 1.257586E-20 5.852344E-21 6.507965E-22 0.000000E+00 0.000000E+00\nHOCCHO_IUPAC EQY 290.000 7.500000E-01 7.500000E-01 7.500000E-01 7.500000E-01 7.500000E-01 0.000000E+00 0.000000E+00\nHOCCHO_IUPAC CS 310.000 3.704782E-20 2.277373E-20 1.257586E-20 5.852344E-21 6.507965E-22 0.000000E+00 0.000000E+00\nHOCCHO_IUPAC EQY 310.000 7.500000E-01 7.500000E-01 7.500000E-01 7.500000E-01 7.500000E-01 0.000000E+00 0.000000E+00\nACRO_09 CS 210.000 1.856128E-20 2.787986E-20 3.602616E-20 4.321518E-20 5.371941E-20 1.543856E-20 0.000000E+00\nACRO_09 EQY 210.000 5.269045E-02 3.293790E-02 2.264026E-02 1.595375E-02 6.767500E-03 1.624741E-03 0.000000E+00\nACRO_09 CS 230.000 1.856128E-20 2.787986E-20 3.602616E-20 4.321518E-20 5.371941E-20 1.543856E-20 0.000000E+00\nACRO_09 EQY 230.000 5.269045E-02 3.293790E-02 2.264026E-02 1.595375E-02 6.767500E-03 1.624741E-03 0.000000E+00\nACRO_09 CS 250.000 1.856128E-20 2.787986E-20 3.602616E-20 4.321518E-20 5.371941E-20 1.543856E-20 0.000000E+00\nACRO_09 EQY 250.000 5.269045E-02 3.293790E-02 2.264026E-02 1.595375E-02 6.767500E-03 1.624741E-03 0.000000E+00\nACRO_09 CS 270.000 1.856128E-20 2.787986E-20 3.602616E-20 4.321518E-20 5.371941E-20 1.543856E-20 0.000000E+00\nACRO_09 EQY 270.000 5.269045E-02 3.293790E-02 2.264026E-02 1.595375E-02 6.767500E-03 1.624741E-03 0.000000E+00\nACRO_09 CS 290.000 1.856128E-20 2.787986E-20 3.602616E-20 4.321518E-20 5.371941E-20 1.543856E-20 0.000000E+00\nACRO_09 EQY 290.000 5.269045E-02 3.293790E-02 2.264026E-02 1.595375E-02 6.767500E-03 1.624741E-03 0.000000E+00\nACRO_09 CS 310.000 1.856128E-20 2.787986E-20 3.602616E-20 4.321518E-20 5.371941E-20 1.543856E-20 0.000000E+00\nACRO_09 EQY 310.000 5.269045E-02 3.293790E-02 2.264026E-02 1.595375E-02 6.767500E-03 1.624741E-03 0.000000E+00\nPAA CS 210.000 1.880973E-21 9.984294E-22 5.884834E-22 3.735140E-22 1.059114E-22 0.000000E+00 0.000000E+00\nPAA EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nPAA CS 230.000 1.880973E-21 9.984294E-22 5.884834E-22 3.735140E-22 1.059114E-22 0.000000E+00 0.000000E+00\nPAA EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nPAA CS 250.000 1.880973E-21 9.984294E-22 5.884834E-22 3.735140E-22 1.059114E-22 0.000000E+00 0.000000E+00\nPAA EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nPAA CS 270.000 1.880973E-21 9.984294E-22 5.884834E-22 3.735140E-22 1.059114E-22 0.000000E+00 0.000000E+00\nPAA EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nPAA CS 290.000 1.880973E-21 9.984294E-22 5.884834E-22 3.735140E-22 1.059114E-22 0.000000E+00 0.000000E+00\nPAA EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nPAA CS 310.000 1.880973E-21 9.984294E-22 5.884834E-22 3.735140E-22 1.059114E-22 0.000000E+00 0.000000E+00\nPAA EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00 0.000000E+00\nCL2 CS 210.000 8.459998E-20 1.387449E-19 1.859079E-19 2.232772E-19 2.484952E-19 6.038539E-20 6.311131E-22\nCL2 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nCL2 CS 230.000 8.524757E-20 1.389977E-19 1.856245E-19 2.224567E-19 2.471989E-19 6.124574E-20 6.311131E-22\nCL2 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nCL2 CS 250.000 8.601563E-20 1.392877E-19 1.852748E-19 2.214706E-19 2.456518E-19 6.228141E-20 6.311131E-22\nCL2 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nCL2 CS 270.000 8.688803E-20 1.396037E-19 1.848591E-19 2.203326E-19 2.438807E-19 6.347855E-20 6.311131E-22\nCL2 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nCL2 CS 290.000 8.784630E-20 1.399339E-19 1.843792E-19 2.190595E-19 2.419169E-19 6.481979E-20 6.311131E-22\nCL2 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nCL2 CS 310.000 8.835163E-20 1.401007E-19 1.841159E-19 2.183779E-19 2.408728E-19 6.553857E-20 6.311131E-22\nCL2 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nCLNO_06 CS 210.000 9.713532E-20 1.043432E-19 1.150344E-19 1.267321E-19 1.479858E-19 8.438991E-20 4.594130E-21\nCLNO_06 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nCLNO_06 CS 230.000 9.713532E-20 1.043432E-19 1.150344E-19 1.267321E-19 1.479858E-19 8.438991E-20 4.594130E-21\nCLNO_06 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nCLNO_06 CS 250.000 9.713532E-20 1.043432E-19 1.150344E-19 1.267321E-19 1.479858E-19 8.438991E-20 4.594130E-21\nCLNO_06 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nCLNO_06 CS 270.000 9.713532E-20 1.043432E-19 1.150344E-19 1.267321E-19 1.479858E-19 8.438991E-20 4.594130E-21\nCLNO_06 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nCLNO_06 CS 290.000 9.713532E-20 1.043432E-19 1.150344E-19 1.267321E-19 1.479858E-19 8.438991E-20 4.594130E-21\nCLNO_06 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nCLNO_06 CS 310.000 9.713532E-20 1.043432E-19 1.150344E-19 1.267321E-19 1.479858E-19 8.438991E-20 4.594130E-21\nCLNO_06 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nCLONO CS 210.000 1.405580E-18 1.198578E-18 1.052515E-18 9.205324E-19 5.728580E-19 7.394594E-20 0.000000E+00\nCLONO EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCLONO CS 230.000 1.405580E-18 1.198578E-18 1.052515E-18 9.205324E-19 5.728580E-19 7.394594E-20 0.000000E+00\nCLONO EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCLONO CS 250.000 1.405580E-18 1.198578E-18 1.052515E-18 9.205324E-19 5.728580E-19 7.394594E-20 0.000000E+00\nCLONO EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCLONO CS 270.000 1.405580E-18 1.198578E-18 1.052515E-18 9.205324E-19 5.728580E-19 7.394594E-20 0.000000E+00\nCLONO EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCLONO CS 290.000 1.405580E-18 1.198578E-18 1.052515E-18 9.205324E-19 5.728580E-19 7.394594E-20 0.000000E+00\nCLONO EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCLONO CS 310.000 1.405580E-18 1.198578E-18 1.052515E-18 9.205324E-19 5.728580E-19 7.394594E-20 0.000000E+00\nCLONO EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCLNO2 CS 210.000 1.656203E-19 1.407781E-19 1.170052E-19 9.257619E-20 4.108944E-20 2.105267E-21 0.000000E+00\nCLNO2 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCLNO2 CS 230.000 1.625310E-19 1.390370E-19 1.166682E-19 9.343169E-20 4.323496E-20 2.532648E-21 0.000000E+00\nCLNO2 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCLNO2 CS 250.000 1.607963E-19 1.382499E-19 1.170532E-19 9.483844E-20 4.569999E-20 3.083953E-21 0.000000E+00\nCLNO2 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCLNO2 CS 270.000 1.604163E-19 1.384168E-19 1.181603E-19 9.679644E-20 4.848453E-20 3.759182E-21 0.000000E+00\nCLNO2 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCLNO2 CS 290.000 1.613911E-19 1.395376E-19 1.199895E-19 9.930572E-20 5.158858E-20 4.558336E-21 0.000000E+00\nCLNO2 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCLNO2 CS 310.000 1.619476E-19 1.400598E-19 1.206790E-19 1.001660E-19 5.258209E-20 4.822247E-21 0.000000E+00\nCLNO2 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCLONO2_1 CS 210.000 3.530556E-20 1.872070E-20 1.123545E-20 7.141706E-21 3.111550E-21 9.743237E-22 9.489116E-24\nCLONO2_1 EQY 210.000 4.000000E-01 3.992096E-01 3.837866E-01 3.420477E-01 2.361424E-01 2.718547E-02 0.000000E+00\nCLONO2_1 CS 230.000 3.756278E-20 2.004876E-20 1.210488E-20 7.706714E-21 3.240199E-21 1.038511E-21 9.491610E-24\nCLONO2_1 EQY 230.000 4.000000E-01 3.992096E-01 3.837866E-01 3.420477E-01 2.361424E-01 2.718547E-02 0.000000E+00\nCLONO2_1 CS 250.000 3.999382E-20 2.155965E-20 1.312916E-20 8.405717E-21 3.464433E-21 1.097813E-21 9.504681E-24\nCLONO2_1 EQY 250.000 4.000000E-01 3.992096E-01 3.837866E-01 3.420477E-01 2.361424E-01 2.718547E-02 0.000000E+00\nCLONO2_1 CS 270.000 4.259870E-20 2.325335E-20 1.430828E-20 9.238715E-21 3.784253E-21 1.152229E-21 9.528331E-24\nCLONO2_1 EQY 270.000 4.000000E-01 3.992096E-01 3.837866E-01 3.420477E-01 2.361424E-01 2.718547E-02 0.000000E+00\nCLONO2_1 CS 290.000 4.537742E-20 2.512988E-20 1.564224E-20 1.020571E-20 4.199657E-21 1.201758E-21 9.562558E-24\nCLONO2_1 EQY 290.000 4.000000E-01 3.992096E-01 3.837866E-01 3.420477E-01 2.361424E-01 2.718547E-02 0.000000E+00\nCLONO2_1 CS 310.000 4.832995E-20 2.718922E-20 1.713105E-20 1.130669E-20 4.710647E-21 1.246402E-21 9.607363E-24\nCLONO2_1 EQY 310.000 4.000000E-01 3.992096E-01 3.837866E-01 3.420477E-01 2.361424E-01 2.718547E-02 0.000000E+00\nCLONO2_2 CS 210.000 3.530556E-20 1.872070E-20 1.123545E-20 7.141706E-21 3.111550E-21 9.743237E-22 9.489116E-24\nCLONO2_2 EQY 210.000 6.000000E-01 6.007904E-01 6.162134E-01 6.579523E-01 7.638576E-01 9.728145E-01 1.000000E+00\nCLONO2_2 CS 230.000 3.756278E-20 2.004876E-20 1.210488E-20 7.706714E-21 3.240199E-21 1.038511E-21 9.491610E-24\nCLONO2_2 EQY 230.000 6.000000E-01 6.007904E-01 6.162134E-01 6.579523E-01 7.638576E-01 9.728145E-01 1.000000E+00\nCLONO2_2 CS 250.000 3.999382E-20 2.155965E-20 1.312916E-20 8.405717E-21 3.464433E-21 1.097813E-21 9.504681E-24\nCLONO2_2 EQY 250.000 6.000000E-01 6.007904E-01 6.162134E-01 6.579523E-01 7.638576E-01 9.728145E-01 1.000000E+00\nCLONO2_2 CS 270.000 4.259870E-20 2.325335E-20 1.430828E-20 9.238715E-21 3.784253E-21 1.152229E-21 9.528331E-24\nCLONO2_2 EQY 270.000 6.000000E-01 6.007904E-01 6.162134E-01 6.579523E-01 7.638576E-01 9.728145E-01 1.000000E+00\nCLONO2_2 CS 290.000 4.537742E-20 2.512988E-20 1.564224E-20 1.020571E-20 4.199657E-21 1.201758E-21 9.562558E-24\nCLONO2_2 EQY 290.000 6.000000E-01 6.007904E-01 6.162134E-01 6.579523E-01 7.638576E-01 9.728145E-01 1.000000E+00\nCLONO2_2 CS 310.000 4.832995E-20 2.718922E-20 1.713105E-20 1.130669E-20 4.710647E-21 1.246402E-21 9.607363E-24\nCLONO2_2 EQY 310.000 6.000000E-01 6.007904E-01 6.162134E-01 6.579523E-01 7.638576E-01 9.728145E-01 1.000000E+00\nHOCL_06 CS 210.000 5.570117E-20 6.066935E-20 5.958161E-20 5.377945E-20 3.120855E-20 6.545254E-21 1.283755E-23\nHOCL_06 EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nHOCL_06 CS 230.000 5.570117E-20 6.066935E-20 5.958161E-20 5.377945E-20 3.120855E-20 6.545254E-21 1.283755E-23\nHOCL_06 EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nHOCL_06 CS 250.000 5.570117E-20 6.066935E-20 5.958161E-20 5.377945E-20 3.120855E-20 6.545254E-21 1.283755E-23\nHOCL_06 EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nHOCL_06 CS 270.000 5.570117E-20 6.066935E-20 5.958161E-20 5.377945E-20 3.120855E-20 6.545254E-21 1.283755E-23\nHOCL_06 EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nHOCL_06 CS 290.000 5.570117E-20 6.066935E-20 5.958161E-20 5.377945E-20 3.120855E-20 6.545254E-21 1.283755E-23\nHOCL_06 EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nHOCL_06 CS 310.000 5.570117E-20 6.066935E-20 5.958161E-20 5.377945E-20 3.120855E-20 6.545254E-21 1.283755E-23\nHOCL_06 EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00\nCLCCHO CS 210.000 5.379352E-20 5.300264E-20 4.849378E-20 3.861017E-20 1.286108E-20 9.228975E-23 0.000000E+00\nCLCCHO EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCLCCHO CS 230.000 5.379352E-20 5.300264E-20 4.849378E-20 3.861017E-20 1.286108E-20 9.228975E-23 0.000000E+00\nCLCCHO EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCLCCHO CS 250.000 5.379352E-20 5.300264E-20 4.849378E-20 3.861017E-20 1.286108E-20 9.228975E-23 0.000000E+00\nCLCCHO EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCLCCHO CS 270.000 5.379352E-20 5.300264E-20 4.849378E-20 3.861017E-20 1.286108E-20 9.228975E-23 0.000000E+00\nCLCCHO EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCLCCHO CS 290.000 5.379352E-20 5.300264E-20 4.849378E-20 3.861017E-20 1.286108E-20 9.228975E-23 0.000000E+00\nCLCCHO EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCLCCHO CS 310.000 5.379352E-20 5.300264E-20 4.849378E-20 3.861017E-20 1.286108E-20 9.228975E-23 0.000000E+00\nCLCCHO EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCLACET CS 210.000 1.000121E-19 8.662045E-20 6.774627E-20 4.765676E-20 1.132983E-20 6.893265E-23 0.000000E+00\nCLACET EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCLACET CS 230.000 1.000121E-19 8.662045E-20 6.774627E-20 4.765676E-20 1.132983E-20 6.893265E-23 0.000000E+00\nCLACET EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCLACET CS 250.000 1.000121E-19 8.662045E-20 6.774627E-20 4.765676E-20 1.132983E-20 6.893265E-23 0.000000E+00\nCLACET EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCLACET CS 270.000 1.000121E-19 8.662045E-20 6.774627E-20 4.765676E-20 1.132983E-20 6.893265E-23 0.000000E+00\nCLACET EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCLACET CS 290.000 1.000121E-19 8.662045E-20 6.774627E-20 4.765676E-20 1.132983E-20 6.893265E-23 0.000000E+00\nCLACET EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nCLACET CS 310.000 1.000121E-19 8.662045E-20 6.774627E-20 4.765676E-20 1.132983E-20 6.893265E-23 0.000000E+00\nCLACET EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHPALD CS 210.000 2.639069E-20 3.936243E-20 4.989643E-20 5.926228E-20 6.528440E-20 1.326810E-20 0.000000E+00\nHPALD EQY 210.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHPALD CS 230.000 2.639069E-20 3.936243E-20 4.989643E-20 5.926228E-20 6.528440E-20 1.326810E-20 0.000000E+00\nHPALD EQY 230.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHPALD CS 250.000 2.639069E-20 3.936243E-20 4.989643E-20 5.926228E-20 6.528440E-20 1.326810E-20 0.000000E+00\nHPALD EQY 250.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHPALD CS 270.000 2.639069E-20 3.936243E-20 4.989643E-20 5.926228E-20 6.528440E-20 1.326810E-20 0.000000E+00\nHPALD EQY 270.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHPALD CS 290.000 2.639069E-20 3.936243E-20 4.989643E-20 5.926228E-20 6.528440E-20 1.326810E-20 0.000000E+00\nHPALD EQY 290.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nHPALD CS 310.000 2.639069E-20 3.936243E-20 4.989643E-20 5.926228E-20 6.528440E-20 1.326810E-20 0.000000E+00\nHPALD EQY 310.000 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 1.000000E+00 0.000000E+00\nNOA CS 210.000 5.224059E-20 3.919563E-20 2.699318E-20 1.723670E-20 3.945736E-21 0.000000E+00 0.000000E+00\nNOA EQY 210.000 5.691649E-01 4.249612E-01 3.232058E-01 2.461660E-01 1.547306E-01 0.000000E+00 0.000000E+00\nNOA CS 230.000 5.224059E-20 3.919563E-20 2.699318E-20 1.723670E-20 3.945736E-21 0.000000E+00 0.000000E+00\nNOA EQY 230.000 5.691649E-01 4.249612E-01 3.232058E-01 2.461660E-01 1.547306E-01 0.000000E+00 0.000000E+00\nNOA CS 250.000 5.224059E-20 3.919563E-20 2.699318E-20 1.723670E-20 3.945736E-21 0.000000E+00 0.000000E+00\nNOA EQY 250.000 5.691649E-01 4.249612E-01 3.232058E-01 2.461660E-01 1.547306E-01 0.000000E+00 0.000000E+00\nNOA CS 270.000 5.224059E-20 3.919563E-20 2.699318E-20 1.723670E-20 3.945736E-21 0.000000E+00 0.000000E+00\nNOA EQY 270.000 5.691649E-01 4.249612E-01 3.232058E-01 2.461660E-01 1.547306E-01 0.000000E+00 0.000000E+00\nNOA CS 290.000 5.224059E-20 3.919563E-20 2.699318E-20 1.723670E-20 3.945736E-21 0.000000E+00 0.000000E+00\nNOA EQY 290.000 5.691649E-01 4.249612E-01 3.232058E-01 2.461660E-01 1.547306E-01 0.000000E+00 0.000000E+00\nNOA CS 310.000 5.224059E-20 3.919563E-20 2.699318E-20 1.723670E-20 3.945736E-21 0.000000E+00 0.000000E+00\nNOA EQY 310.000 5.691649E-01 4.249612E-01 3.232058E-01 2.461660E-01 1.547306E-01 0.000000E+00 0.000000E+00\n! Ozone Cross-Section for Stratospheric Opacity based on Table 4-5 in\n! Chemical Kinetics and Photochemical Data for Use in Atmospheric\n! Studies Evaluation Number 15. Sander et. al: NASA-JPL 2006 \nNTEMP_STRAT = 6\n! QUANTITY TEMP WBIN( 1) WBIN( 2) WBIN( 3) WBIN( 4) WBIN( 5) WBIN( 6) WBIN( 7)\nO3_STRAT CS 180.000 6.113743E-19 2.263004E-19 8.354117E-20 3.417408E-20 3.688351E-21 4.086261E-23 1.663175E-21\nO3_STRAT CS 260.000 6.434133E-19 2.434104E-19 9.254548E-20 3.928807E-20 4.583227E-21 4.086261E-23 1.663175E-21\nO3_STRAT CS 300.000 6.685868E-19 2.568540E-19 9.962031E-20 4.330621E-20 5.286344E-21 4.086261E-23 1.663175E-21\nO3_STRAT CS 340.000 6.685868E-19 2.568540E-19 9.962031E-20 4.330621E-20 5.286344E-21 4.086261E-23 1.663175E-21\nO3_STRAT CS 380.000 6.685868E-19 2.568540E-19 9.962031E-20 4.330621E-20 5.286344E-21 4.086261E-23 1.663175E-21\nO3_STRAT CS 420.000 6.685868E-19 2.568540E-19 9.962031E-20 4.330621E-20 5.286344E-21 4.086261E-23 1.663175E-21\n" }, { "path": "CCTM/src/MECHS/saprc07tic_ae7i_aq/GC_saprc07tic_ae7i_aq.nml", "content": "&GC_nml\n\nGC_SPECIES_DATA = \n\n!SPECIES ,MOLWT ,IC ,IC_FAC ,BC ,BC_FAC ,DRYDEP SURR ,FAC ,WET-SCAV SURR ,FAC ,GC2AE SURR ,GC2AQ SURR,TRNS ,DDEP ,WDEP ,CONC\n'NO2' , 46.01 ,'' ,-1 ,'' ,-1 ,'VD_NO2' , 1 ,'NO2' , 1 ,'NO2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'NO' , 30.01 ,'' ,-1 ,'' ,-1 ,'VD_NO' , 1 ,'NO' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'O3P' , 16.00 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'O3' , 48.00 ,'' ,-1 ,'' ,-1 ,'VD_O3' , 1 ,'O3' , 1 ,'' ,'O3' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'NO3' , 62.01 ,'' ,-1 ,'' ,-1 ,'VD_NO3' , 1 ,'NO3' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'N2O5' ,108.02 ,'' ,-1 ,'' ,-1 ,'VD_N2O5' , 1 ,'N2O5' , 1 ,'N2O5' ,'N2O5' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'HNO3' , 63.02 ,'' ,-1 ,'' ,-1 ,'VD_HNO3' , 1 ,'HNO3' , 1 ,'HNO3' ,'HNO3' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'O1D' , 16.00 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'OH' , 17.01 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'OH' , 1 ,'OH' ,'HO' ,'Yes' ,'' ,'Yes' ,'Yes',\n'HONO' , 47.02 ,'' ,-1 ,'' ,-1 ,'VD_HONO' , 1 ,'HNO2' , 1 ,'HONO' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'HO2' , 33.01 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'HO2' , 1 ,'' ,'HO2' ,'Yes' ,'' ,'Yes' ,'Yes',\n'CO' , 28.01 ,'' ,-1 ,'' ,-1 ,'VD_CO' , 1 ,'CO' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'CO2' , 44.01 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'CO2' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'HNO4' , 79.02 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'HNO4' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'HO2H' , 34.01 ,'' ,-1 ,'' ,-1 ,'VD_H2O2' , 1 ,'H2O2' , 1 ,'' ,'H2O2' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SO2' , 64.06 ,'' ,-1 ,'' ,-1 ,'VD_SO2' , 1 ,'SO2' , 1 ,'' ,'SO2' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SULF' , 98.08 ,'' ,-1 ,'' ,-1 ,'VD_SULF' , 1 ,'H2SO4' , 1 ,'SULF' ,'H2SO4' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SULRXN' , 98.08 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'SULPRD' ,'' ,'' ,'' ,'' ,'' ,\n'MEO2' , 47.03 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'HCHO' , 30.03 ,'' ,-1 ,'' ,-1 ,'VD_HCHO' ,0.7 ,'FORMALDEHYDE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'COOH' , 48.04 ,'' ,-1 ,'' ,-1 ,'VD_OP' , 1 ,'METHYLHYDROPEROX', 1 ,'' ,'MHP' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'MEOH' , 32.04 ,'' ,-1 ,'' ,-1 ,'VD_METHANOL' , 1 ,'METHANOL' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'RO2C' , 1.00 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'RO2XC' , 1.00 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'MECO3' , 75.04 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'PAN' ,121.05 ,'' ,-1 ,'' ,-1 ,'VD_PAN' , 1 ,'PAN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'CCOOOH' , 76.00 ,'' ,-1 ,'' ,-1 ,'VD_PAA' , 1 ,'PEROXYACETIC_ACI', 1 ,'' ,'PAA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'CCOOH' , 60.05 ,'' ,-1 ,'' ,-1 ,'VD_ORA' , 1 ,'ACETIC_ACID' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'RCO3' , 89.07 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'PAN2' ,135.08 ,'' ,-1 ,'' ,-1 ,'VD_PAN' , 1 ,'PPN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'xHO2' , 33.01 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'yROOH' , 76.10 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'xCCHO' , 44.05 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'RCOOOH' , 74.08 ,'' ,-1 ,'' ,-1 ,'VD_PAA' , 1 ,'PEROXYACETIC_ACI', 1 ,'' ,'PAA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'RCOOH' , 74.08 ,'' ,-1 ,'' ,-1 ,'VD_ORA' , 1 ,'PROPANOIC_ACID' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'BZCO3' ,137.12 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'PBZN' ,183.13 ,'' ,-1 ,'' ,-1 ,'VD_PAN' , 1 ,'PAN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'BZO' , 93.00 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'MACO3' ,101.08 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'MAPAN' ,147.09 ,'' ,-1 ,'' ,-1 ,'VD_PAN' , 1 ,'MPAN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'TBUO' , 73.00 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'RNO3' ,147.18 ,'' ,-1 ,'' ,-1 ,'VD_NTROH' , 1 ,'NTR_OH' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'MTNO3' ,231.00 ,'' ,-1 ,'' ,-1 ,'VD_MTNO3' , 1 ,'MTNO3' , 1 ,'MTNO3' ,'MTNO3' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ACETONE' , 58.08 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'ACETONE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'NPHE' ,139.11 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'2-NITROPHENOL' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'CRES' ,108.14 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'2-CRESOL' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'xOH' , 17.01 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'xNO2' , 46.01 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'xMEO2' , 47.03 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'xMECO3' , 75.04 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'xRCO3' , 89.07 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'xMACO3' ,101.08 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'xTBUO' , 73.00 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'xCO' , 28.01 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'CCHO' , 44.05 ,'' ,-1 ,'' ,-1 ,'VD_ALD' , 1 ,'ACETALDEHYDE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'RCHO' , 58.08 ,'' ,-1 ,'' ,-1 ,'VD_GEN_ALD' , 1 ,'GENERIC_ALDEHYDE', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'xHCHO' , 30.03 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'MEK' , 72.11 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'MEK' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'zRNO3' ,147.18 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'xRCHO' , 58.08 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'HCOOH' , 46.03 ,'' ,-1 ,'' ,-1 ,'VD_ORA' , 1 ,'FORMIC_ACID' , 1 ,'' ,'FOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'xMGLY' , 72.07 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'xBACL' , 86.09 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'ROOH' , 76.10 ,'' ,-1 ,'' ,-1 ,'VD_OP' , 1 ,'METHYLHYDROPEROX', 1 ,'' ,'MHP' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'xPROD2' ,116.16 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'R6OOH' ,118.17 ,'' ,-1 ,'' ,-1 ,'VD_OP' , 1 ,'HEXYL_HYDROPEROX', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'PRD2' ,116.16 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'MEK' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'yR6OOH' ,118.17 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'zMTNO3' ,231.00 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'xMTNO3' ,231.00 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'RAOOH' ,188.18 ,'' ,-1 ,'' ,-1 ,'VD_OP' , 1 ,'HEXYL_HYDROPEROX', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'MGLY' , 72.07 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'METHYL_GLYOXAL' , 1 ,'' ,'MGLY' ,'Yes' ,'' ,'Yes' ,'Yes',\n'IPRD' ,100.12 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'xGLY' , 58.04 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'xMEK' , 72.11 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'xAFG1' , 98.10 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'xAFG2' , 98.10 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'GLY' , 58.04 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'GLYOXAL' , 1 ,'' ,'GLY' ,'Yes' ,'' ,'Yes' ,'Yes',\n'AFG1' , 98.10 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'AFG2' , 98.10 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'HCOCO3' , 89.00 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'BACL' , 86.09 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'BIACETYL' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'BALD' ,106.13 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'BENZALDEHYDE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'AFG3' ,124.14 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'xIPRD' ,100.12 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'MACR' , 70.09 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'METHACROLEIN' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'MVK' , 70.09 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'MVK' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'xHOCCHO' , 60.05 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'xRNO3' ,147.18 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'HOCCHO' , 60.05 ,'' ,-1 ,'' ,-1 ,'VD_GEN_ALD' , 1 ,'GENERIC_ALDEHYDE', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'xACETONE' , 58.08 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'ACROLEIN' , 56.06 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'ACROLEIN' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'xBALD' ,106.13 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'xAFG3' ,124.74 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'xMACR' , 70.09 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'xMVK' , 70.09 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'yRAOOH' ,188.18 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'xACROLEIN' , 56.06 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'ETHENE' , 28.05 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'ETHENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'PROPENE' , 42.08 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'PROPENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'BUTADIENE13' , 54.09 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'13-BUTADIENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'ISOPRENE' , 68.12 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'ISOPRENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'APIN' ,136.23 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'PINENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'TRPRXN' ,136.00 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'TRPRXN' ,'' ,'' ,'' ,'' ,'' ,\n'ACETYLENE' , 26.04 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'ACETYLENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'BENZENE' , 78.11 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'BENZENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'BENZRO2' ,159.11 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'TOLUENE' , 92.14 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'TOLUENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'TOLRO2' ,172.14 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'MXYL' ,106.17 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'M-XYLENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'XYLRO2' ,187.17 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'OXYL' ,106.17 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'O-XYLENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'PXYL' ,106.17 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'P-XYLENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'TMBENZ124' ,120.19 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'124TRIMETH_BENZE', 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'ETOH' , 46.07 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'ETHANOL' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'ALK1' , 30.07 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'ETHANE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'ALK2' , 36.73 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'PROPANE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'ALK3' , 58.61 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'BUTANE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'ALK4' , 77.60 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'BUTANE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'ALK5' ,118.89 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'DECANE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'SOAALK' ,112.00 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'DECANE' , 1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'OLE1' , 72.34 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'ETHENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'OLE2' , 75.78 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'ETHENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'ARO1' , 95.16 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'TOLUENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'ARO2MN' ,118.72 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'O-XYLENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'NAPHTHAL' ,128.20 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'O-XYLENE' , 1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'PAHRO2' ,187.20 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'TERP' ,136.24 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'PINENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'TERPNRO2' ,197.00 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'SESQ' ,204.35 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'PINENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'SESQRXN' ,204.35 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'SESQRXN' ,'' ,'' ,'' ,'' ,'' ,\n'CL2' , 70.00 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'CL2' , 1 ,'' ,'CL2' ,'Yes' ,'' ,'Yes' ,'Yes',\n'CL' , 35.50 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'CLNO' , 65.50 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'NITROSYL_CHLORID', 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'CLONO' , 81.50 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'CLNO2' , 81.50 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'NITRYL_CHLORIDE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'HCL' , 36.50 ,'' ,-1 ,'' ,-1 ,'VD_HCL' , 1 ,'HCL' , 1 ,'HCL' ,'HCL' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'CLO' , 51.50 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'CLONO2' , 97.45 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'HOCL' , 52.50 ,'' ,-1 ,'' ,-1 ,'VD_HOCL' , 1 ,'HOCL' , 1 ,'' ,'HOCL' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'xCL' , 35.50 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'xCLCCHO' , 78.50 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'xCLACET' , 92.50 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'CLCCHO' , 78.50 ,'' ,-1 ,'' ,-1 ,'VD_ALD' , 1 ,'CHLOROACETALDEHY', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'CLACET' , 92.50 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'CHLOROACETONE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'CLCHO' , 64.50 ,'' ,-1 ,'' ,-1 ,'VD_FMCL' , 1 ,'FMCL' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'HCHO_PRIMARY' , 30.03 ,'' ,-1 ,'' ,-1 ,'VD_HCHO' ,0.7 ,'FORMALDEHYDE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'CCHO_PRIMARY' , 44.05 ,'' ,-1 ,'' ,-1 ,'VD_ALD' , 1 ,'ACETALDEHYDE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ACRO_PRIMARY' , 56.06 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'ACROLEIN' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'ISOPO2' ,117.10 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'.' ,'' ,'Yes',\n'ISOPRXN' , 68.00 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'ISOPRXN' ,'' ,'' ,'' ,'' ,'' ,\n'ISOPND' ,147.10 ,'' ,-1 ,'' ,-1 ,'VD_NTRM' , 1 ,'HYDROXY_NITRATES', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ISOPNB' ,147.10 ,'' ,-1 ,'' ,-1 ,'VD_NTRM' , 1 ,'HYDROXY_NITRATES', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'HC5' ,100.10 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'DIBOO' ,133.10 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'ISOPOOH' ,118.10 ,'' ,-1 ,'' ,-1 ,'VD_IEPOX' ,1.5 ,'HYDROXY_PEROXIDE', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'HPALD' ,116.12 ,'' ,-1 ,'' ,-1 ,'VD_OP' , 1 ,'HYDROXY_PEROXIDE', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'HACET' , 74.10 ,'' ,-1 ,'' ,-1 ,'VD_HACET' , 1 ,'HACET' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'NISOPO2' ,162.10 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'NIT1' ,145.10 ,'' ,-1 ,'' ,-1 ,'VD_NTRM' , 1 ,'HYDROXY_NITRATES', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'NISOPOOH' ,163.13 ,'' ,-1 ,'' ,-1 ,'VD_NTRM' , 1 ,'HYDROXY_NITRATES', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'HC5OO' ,149.10 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'DHMOB' ,132.10 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'ISOPNOOD' ,196.10 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'PROPNN' ,119.10 ,'' ,-1 ,'' ,-1 ,'VD_PROPNN' , 1 ,'PROPNN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'MVKN' ,149.10 ,'' ,-1 ,'' ,-1 ,'VD_NTRM' , 1 ,'HYDROXY_NITRATES', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ETHLN' ,105.00 ,'' ,-1 ,'' ,-1 ,'VD_PROPNN' , 1 ,'PROPNN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'RNO3I' ,147.18 ,'' ,-1 ,'' ,-1 ,'VD_NTRM' , 1 ,'HYDROXY_NITRATES', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ISOPNOOB' ,196.10 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'MACRN' ,149.10 ,'' ,-1 ,'' ,-1 ,'VD_NTRM' , 1 ,'HYDROXY_NITRATES', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'NIT1NO3OOA' ,176.10 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'NIT1NO3OOB' ,239.10 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'ISOPNN' ,226.00 ,'' ,-1 ,'' ,-1 ,'VD_ISOPNN' , 1 ,'ISOPNN' , 1 ,'ISOPNN' ,'ISOPNN' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'NIT1OHOO' ,194.12 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'MVKOO' ,119.10 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'MACROO' ,119.10 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'PYRUACD' , 88.10 ,'' ,-1 ,'' ,-1 ,'VD_HNO3' , 1 ,'PYRUVIC_ACID' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'IEPOX' ,118.13 ,'' ,-1 ,'' ,-1 ,'VD_IEPOX' ,1.5 ,'IEPOX' , 1 ,'IEPOX' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'IEPOXOO' ,149.12 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'IMACO3' ,101.08 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'IMPAA' ,102.08 ,'' ,-1 ,'' ,-1 ,'VD_PAA' , 1 ,'PEROXYACETIC_ACI', 1 ,'' ,'PAA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'IMAPAN' ,147.09 ,'' ,-1 ,'' ,-1 ,'VD_PAN' , 1 ,'MPAN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'IMAE' ,102.00 ,'' ,-1 ,'' ,-1 ,'VD_ORA' , 1 ,'IMAE' , 1 ,'IMAE' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'IHMML' ,102.00 ,'' ,-1 ,'' ,-1 ,'VD_ORA' , 1 ,'PROPANOIC_ACID' , 1 ,'IHMML' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'H2NO3PIJ' , 64.00 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'H2NO3PK' , 64.00 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'IEPOXP' ,118.13 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'IMAEP' ,102.00 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'IHMMLP' ,102.00 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'VLVPO1' ,218.00 ,'' ,-1 ,'' ,-1 ,'VD_ORA' , 1 ,'ADIPIC_ACID' , 1 ,'VLVPO1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VSVPO1' ,230.00 ,'' ,-1 ,'' ,-1 ,'VD_ORA' , 1 ,'ADIPIC_ACID' , 1 ,'VSVPO1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VSVPO2' ,241.00 ,'' ,-1 ,'' ,-1 ,'VD_ORA' , 1 ,'ADIPIC_ACID' , 1 ,'VSVPO2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VSVPO3' ,253.00 ,'' ,-1 ,'' ,-1 ,'VD_ORA' , 1 ,'ADIPIC_ACID' , 1 ,'VSVPO3' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VIVPO1' ,266.00 ,'' ,-1 ,'' ,-1 ,'VD_ORA' , 1 ,'ADIPIC_ACID' , 1 ,'VIVPO1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VLVOO1' ,136.00 ,'' ,-1 ,'' ,-1 ,'VD_ORA' , 1 ,'ADIPIC_ACID' , 1 ,'VLVOO1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VLVOO2' ,136.00 ,'' ,-1 ,'' ,-1 ,'VD_ORA' , 1 ,'ADIPIC_ACID' , 1 ,'VLVOO2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VSVOO1' ,135.00 ,'' ,-1 ,'' ,-1 ,'VD_ORA' , 1 ,'ADIPIC_ACID' , 1 ,'VSVOO1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VSVOO2' ,135.00 ,'' ,-1 ,'' ,-1 ,'VD_ORA' , 1 ,'ADIPIC_ACID' , 1 ,'VSVOO2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VSVOO3' ,134.00 ,'' ,-1 ,'' ,-1 ,'VD_ORA' , 1 ,'ADIPIC_ACID' , 1 ,'VSVOO3' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'PCVOC' ,170.00 ,'' ,-1 ,'' ,-1 ,'VD_GEN_ALD' , 1 ,'GENERIC_ALDEHYDE', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'PCSOARXN' ,170.00 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'PCSOARXN' ,'' ,'' ,'' ,'' ,'' ,\n'SVAVB1' ,198.00 ,'' ,-1 ,'' ,-1 ,'VD_SVAVB1' , 1 ,'SVAVB1' , 1 ,'SVAVB1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVAVB2' ,179.00 ,'' ,-1 ,'' ,-1 ,'VD_SVAVB2' , 1 ,'SVAVB2' , 1 ,'SVAVB2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVAVB3' ,169.00 ,'' ,-1 ,'' ,-1 ,'VD_SVAVB3' , 1 ,'SVAVB3' , 1 ,'SVAVB3' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVAVB4' ,158.00 ,'' ,-1 ,'' ,-1 ,'VD_SVAVB4' , 1 ,'SVAVB4' , 1 ,'SVAVB4' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n/\n" }, { "path": "CCTM/src/MECHS/saprc07tic_ae7i_aq/NR_saprc07tic_ae7i_aq.nml", "content": "&NR_nml\n\nNR_SPECIES_DATA = \n\n!SPECIES ,MOLWT ,IC ,IC_FAC ,BC ,BC_FAC ,DRYDEP SURR ,FAC ,WET-SCAV SURR ,FAC ,NR2AE SURR ,NR2AQ SURR,TRNS ,DDEP ,WDEP ,CONC\n'NH3' , 17.0 ,'' ,-1 ,'' ,-1 ,'VD_NH3' , 1 ,'NH3' , 1 ,'NH3' ,'NH3' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVISO1' ,132.0 ,'' ,-1 ,'' ,-1 ,'VD_SVISO1' , 1 ,'SVISO1' , 1 ,'SVISO1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVISO2' ,133.0 ,'' ,-1 ,'' ,-1 ,'VD_SVISO2' , 1 ,'SVISO2' , 1 ,'SVISO2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVSQT' ,273.0 ,'' ,-1 ,'' ,-1 ,'VD_SVSQT' , 1 ,'SVSQT' , 1 ,'SVSQT' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'LVPCSOG' ,170.0 ,'' ,-1 ,'' ,-1 ,'VD_LVPCSOG' , 1 ,'ADIPIC_ACID' , 1 ,'LVPCSOG' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'SVMT1' ,300.0 ,'' ,-1 ,'' ,-1 ,'VD_SVMT1' , 1 ,'SVMT1' , 1 ,'SVMT1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVMT2' ,200.0 ,'' ,-1 ,'' ,-1 ,'VD_SVMT2' , 1 ,'SVMT2' , 1 ,'SVMT2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVMT3' ,186.0 ,'' ,-1 ,'' ,-1 ,'VD_SVMT3' , 1 ,'SVMT3' , 1 ,'SVMT3' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVMT4' ,184.0 ,'' ,-1 ,'' ,-1 ,'VD_SVMT4' , 1 ,'SVMT4' , 1 ,'SVMT4' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVMT5' ,170.0 ,'' ,-1 ,'' ,-1 ,'VD_SVMT5' , 1 ,'SVMT5' , 1 ,'SVMT5' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVMT6' ,168.0 ,'' ,-1 ,'' ,-1 ,'VD_SVMT6' , 1 ,'SVMT6' , 1 ,'SVMT6' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n/\n" }, { "path": "CCTM/src/MECHS/saprc07tic_ae7i_aq/RXNS_DATA_MODULE.F90", "content": " MODULE RXNS_DATA\n\n\n IMPLICIT NONE\n\n\n\n! --------- Photochemical Mechanism Reactions, Rates, etc. DAT ---------\n! Source file: /home/bmurphy/cmaq_projects/bicicle_1.7/UTIL/chemmech/input/saprc07tic_ae7i_aq/mech_saprc07tic_ae7i_aq.def\n! for Mechanism Name: SAPRC07TIC_AE7I_AQ \n\n! This file is used to create mechanism data and functions\n\n! The following are reserved symbols declared in this file:\n! MECHNAME = Mechanism name\n! N_GAS_CHEM_SPC = Total number of gas species in chemical mechanism\n! NUMB_MECH_SPC = Total number of species in chemical mechanism\n! N_ACT_SP = Number of active (determined by ODE solver) species in mechanism\n! GAS_CHEM_SPC = Names of gas species in chemical mechanism\n! CHEMISTRY_SPC = Names of species in chemical mechanism\n! CGRID_INDEX = CGRID Index of species in chemical mechanism\n! SPECIES_TYPE = Group or type of species \n! SPECIES_MOLWT = Molecular Weight of species (gm/mole)\n! NRXNS = Number of mechanism reactions\n! ZERO_REACT_REACTIONS = number zero reactant reactions\n! ONE_REACT_REACTIONS = number one reactant reactions\n! TWO_REACT_REACTIONS = number second order reactions\n! THREE_REACT_REACTIONS = number three reactant reactions\n! NSUNLIGHT_RXNS = Number of mechanism reactions requiring sunlight\n! NTHERMAL_RXNS = Number of mechanism reactions not requiring sunlight\n! KUNITS = Units of mechanism reactions\n! KTYPE = Reaction type\n! IRXBITS = Bit test mask vector for selected reactions\n! IORDER = Order of the reaction\n! NTERMS_JACOB = Maximum number of nonzero terms in day/night Jacobian\n! MSTEPS_JACOB = Maximum number of LU Decomposition steps to solve each Jacobian\n! KTN1 = Number of type 1 reactions\n! KRX1 = Reactions list pointer to type 1 reactions\n! KTN2 = Number of type 2 reactions\n! KRX2 = Reactions list pointer to type 2 reactions\n! KTN3 = Number of type 3 reactions\n! KRX3 = Reactions list pointer to type 3 reactions\n! KTN4 = Number of type 4 reactions\n! KRX4 = Reactions list pointer to type 4 reactions\n! KTN5 = Number of type 5 reactions\n! KRX5 = Reactions list pointer to type 5 reactions\n! KTN6 = Number of type 6 reactions\n! KRX6 = Reactions list pointer to type 6 reactions\n! KTN7 = Number of type 7 reactions\n! KRX7 = Reactions list pointer to type 7 reactions\n\n! NWM = Number of air 3-body reactions\n! NRXWM = Reactions list pointer to air 3-body reactions\n! ATM_AIR = air 3-body reactions concentration\n! NWW = Number of H2O 3-body reactions\n! NRXWW = Reactions list pointer to H2O 3-body reactions\n! NWO2 = Number of reactions with O2\n! NRXWO2 = Reactions list pointer to O2 reactions\n! ATM_O2 = Oxygen reactions concentration\n! NWN2 = Number of N2 3-body reactions\n! NRXWN2 = Reactions list pointer to N2 3-body reactions\n! ATM_N2 = Nitrogen 3-body reactions concentration\n! NWCH4 = Number of reactions with CH4\n! NRXWCH4 = Reactions list pointer to CH4 reactions\n! ATM_CH4 = Methane reactions concentration\n! NWH2 = Number of reactions with H2\n! NRXWH2 = Reactions list pointer to H2 reactions\n! ATM_H2 = Hydrogen reactions concentration\n\n! MXPRD = Maximum number of mechanism reaction products\n! IRR = Reactions list pointer to reactants and products\n! RTDAT = Kinetic reaction rates expressions components\n! NFALLOFFF = Number of falloff reactions\n! IRRFALL = Reactions list pointer to falloff reactions\n! RFDAT = Falloff reaction rates expressions components\n! SC = Stoichiometric coefficients\n! NREACT = Number of reactants in each mechanism reaction\n! NPRDCT = Number of products in each mechanism reaction\n! RXLABEL = Character label list for mechanism reactions\n! NMPHOT = Number of mechanism photolytic reactions\n! NPHOTAB = Number of photolytic reactions tables\n! IPH = Reactions list pointer to photolytic reactions and tables\n! MHETERO = Number of mechanism heteorogenous reactions\n! NHETERO = Number of unique heteorogenous rate constants\n! IHETERO = Reactions list pointer to heteorogenous reactions and tables\n\n CHARACTER( 32 ), PARAMETER :: MECHNAME = 'SAPRC07TIC_AE7I_AQ'\n\n INTEGER, PARAMETER :: N_GAS_CHEM_SPC = 205\n INTEGER, PARAMETER :: NUMB_MECH_SPC = 230\n\n CHARACTER( 16 ) :: GAS_CHEM_SPC( N_GAS_CHEM_SPC )\n CHARACTER( 16 ) :: CHEMISTRY_SPC( NUMB_MECH_SPC )\n CHARACTER( 16 ) :: SPECIES_TYPE( NUMB_MECH_SPC )\n INTEGER :: CGRID_INDEX ( NUMB_MECH_SPC )\n INTEGER :: TYPE_INDEX ( NUMB_MECH_SPC )\n REAL( 8 ) :: SPECIES_MOLWT( NUMB_MECH_SPC )\n LOGICAL :: CONVERT_CONC( NUMB_MECH_SPC )\n\n! The below character and integer arrays list the model species names used in the \n! chemical mechanism. The gas species and their order should agree with \n! the GC_SPC array for the gas phase chemistry to work correctly. \n! If present, the CHEMISTRY_SPC names and species type should agree with the CGRID_SPCS module\n\n DATA GAS_CHEM_SPC( 1 ) / 'NO2 ' /\n DATA GAS_CHEM_SPC( 2 ) / 'NO ' /\n DATA GAS_CHEM_SPC( 3 ) / 'O3P ' /\n DATA GAS_CHEM_SPC( 4 ) / 'O3 ' /\n DATA GAS_CHEM_SPC( 5 ) / 'NO3 ' /\n DATA GAS_CHEM_SPC( 6 ) / 'N2O5 ' /\n DATA GAS_CHEM_SPC( 7 ) / 'HNO3 ' /\n DATA GAS_CHEM_SPC( 8 ) / 'O1D ' /\n DATA GAS_CHEM_SPC( 9 ) / 'OH ' /\n DATA GAS_CHEM_SPC( 10 ) / 'HONO ' /\n DATA GAS_CHEM_SPC( 11 ) / 'HO2 ' /\n DATA GAS_CHEM_SPC( 12 ) / 'CO ' /\n DATA GAS_CHEM_SPC( 13 ) / 'CO2 ' /\n DATA GAS_CHEM_SPC( 14 ) / 'HNO4 ' /\n DATA GAS_CHEM_SPC( 15 ) / 'HO2H ' /\n DATA GAS_CHEM_SPC( 16 ) / 'SO2 ' /\n DATA GAS_CHEM_SPC( 17 ) / 'SULF ' /\n DATA GAS_CHEM_SPC( 18 ) / 'SULRXN ' /\n DATA GAS_CHEM_SPC( 19 ) / 'MEO2 ' /\n DATA GAS_CHEM_SPC( 20 ) / 'HCHO ' /\n DATA GAS_CHEM_SPC( 21 ) / 'COOH ' /\n DATA GAS_CHEM_SPC( 22 ) / 'MEOH ' /\n DATA GAS_CHEM_SPC( 23 ) / 'RO2C ' /\n DATA GAS_CHEM_SPC( 24 ) / 'RO2XC ' /\n DATA GAS_CHEM_SPC( 25 ) / 'MECO3 ' /\n DATA GAS_CHEM_SPC( 26 ) / 'PAN ' /\n DATA GAS_CHEM_SPC( 27 ) / 'CCOOOH ' /\n DATA GAS_CHEM_SPC( 28 ) / 'CCOOH ' /\n DATA GAS_CHEM_SPC( 29 ) / 'RCO3 ' /\n DATA GAS_CHEM_SPC( 30 ) / 'PAN2 ' /\n DATA GAS_CHEM_SPC( 31 ) / 'xHO2 ' /\n DATA GAS_CHEM_SPC( 32 ) / 'yROOH ' /\n DATA GAS_CHEM_SPC( 33 ) / 'xCCHO ' /\n DATA GAS_CHEM_SPC( 34 ) / 'RCOOOH ' /\n DATA GAS_CHEM_SPC( 35 ) / 'RCOOH ' /\n DATA GAS_CHEM_SPC( 36 ) / 'BZCO3 ' /\n DATA GAS_CHEM_SPC( 37 ) / 'PBZN ' /\n DATA GAS_CHEM_SPC( 38 ) / 'BZO ' /\n DATA GAS_CHEM_SPC( 39 ) / 'MACO3 ' /\n DATA GAS_CHEM_SPC( 40 ) / 'MAPAN ' /\n DATA GAS_CHEM_SPC( 41 ) / 'TBUO ' /\n DATA GAS_CHEM_SPC( 42 ) / 'RNO3 ' /\n DATA GAS_CHEM_SPC( 43 ) / 'ACETONE ' /\n DATA GAS_CHEM_SPC( 44 ) / 'NPHE ' /\n DATA GAS_CHEM_SPC( 45 ) / 'CRES ' /\n DATA GAS_CHEM_SPC( 46 ) / 'xOH ' /\n DATA GAS_CHEM_SPC( 47 ) / 'xNO2 ' /\n DATA GAS_CHEM_SPC( 48 ) / 'xMEO2 ' /\n DATA GAS_CHEM_SPC( 49 ) / 'xMECO3 ' /\n DATA GAS_CHEM_SPC( 50 ) / 'xRCO3 ' /\n DATA GAS_CHEM_SPC( 51 ) / 'xMACO3 ' /\n DATA GAS_CHEM_SPC( 52 ) / 'xTBUO ' /\n DATA GAS_CHEM_SPC( 53 ) / 'xCO ' /\n DATA GAS_CHEM_SPC( 54 ) / 'CCHO ' /\n DATA GAS_CHEM_SPC( 55 ) / 'RCHO ' /\n DATA GAS_CHEM_SPC( 56 ) / 'xHCHO ' /\n DATA GAS_CHEM_SPC( 57 ) / 'MEK ' /\n DATA GAS_CHEM_SPC( 58 ) / 'zRNO3 ' /\n DATA GAS_CHEM_SPC( 59 ) / 'xRCHO ' /\n DATA GAS_CHEM_SPC( 60 ) / 'HCOOH ' /\n DATA GAS_CHEM_SPC( 61 ) / 'xMGLY ' /\n DATA GAS_CHEM_SPC( 62 ) / 'xBACL ' /\n DATA GAS_CHEM_SPC( 63 ) / 'ROOH ' /\n DATA GAS_CHEM_SPC( 64 ) / 'xPROD2 ' /\n DATA GAS_CHEM_SPC( 65 ) / 'R6OOH ' /\n DATA GAS_CHEM_SPC( 66 ) / 'PRD2 ' /\n DATA GAS_CHEM_SPC( 67 ) / 'yR6OOH ' /\n DATA GAS_CHEM_SPC( 68 ) / 'RAOOH ' /\n DATA GAS_CHEM_SPC( 69 ) / 'MGLY ' /\n DATA GAS_CHEM_SPC( 70 ) / 'IPRD ' /\n DATA GAS_CHEM_SPC( 71 ) / 'xGLY ' /\n DATA GAS_CHEM_SPC( 72 ) / 'xMEK ' /\n DATA GAS_CHEM_SPC( 73 ) / 'xAFG1 ' /\n DATA GAS_CHEM_SPC( 74 ) / 'xAFG2 ' /\n DATA GAS_CHEM_SPC( 75 ) / 'GLY ' /\n DATA GAS_CHEM_SPC( 76 ) / 'AFG1 ' /\n DATA GAS_CHEM_SPC( 77 ) / 'AFG2 ' /\n DATA GAS_CHEM_SPC( 78 ) / 'HCOCO3 ' /\n DATA GAS_CHEM_SPC( 79 ) / 'BACL ' /\n DATA GAS_CHEM_SPC( 80 ) / 'BALD ' /\n DATA GAS_CHEM_SPC( 81 ) / 'AFG3 ' /\n DATA GAS_CHEM_SPC( 82 ) / 'xIPRD ' /\n DATA GAS_CHEM_SPC( 83 ) / 'MACR ' /\n DATA GAS_CHEM_SPC( 84 ) / 'MVK ' /\n DATA GAS_CHEM_SPC( 85 ) / 'xHOCCHO ' /\n DATA GAS_CHEM_SPC( 86 ) / 'xRNO3 ' /\n DATA GAS_CHEM_SPC( 87 ) / 'HOCCHO ' /\n DATA GAS_CHEM_SPC( 88 ) / 'xACETONE ' /\n DATA GAS_CHEM_SPC( 89 ) / 'ACROLEIN ' /\n DATA GAS_CHEM_SPC( 90 ) / 'xBALD ' /\n DATA GAS_CHEM_SPC( 91 ) / 'xAFG3 ' /\n DATA GAS_CHEM_SPC( 92 ) / 'xMACR ' /\n DATA GAS_CHEM_SPC( 93 ) / 'xMVK ' /\n DATA GAS_CHEM_SPC( 94 ) / 'xMTNO3 ' /\n DATA GAS_CHEM_SPC( 95 ) / 'MTNO3 ' /\n DATA GAS_CHEM_SPC( 96 ) / 'IMACO3 ' /\n DATA GAS_CHEM_SPC( 97 ) / 'yRAOOH ' /\n DATA GAS_CHEM_SPC( 98 ) / 'zMTNO3 ' /\n DATA GAS_CHEM_SPC( 99 ) / 'xACROLEIN ' /\n DATA GAS_CHEM_SPC( 100 ) / 'ETHENE ' /\n DATA GAS_CHEM_SPC( 101 ) / 'PROPENE ' /\n DATA GAS_CHEM_SPC( 102 ) / 'BUTADIENE13 ' /\n DATA GAS_CHEM_SPC( 103 ) / 'ISOPRENE ' /\n DATA GAS_CHEM_SPC( 104 ) / 'APIN ' /\n DATA GAS_CHEM_SPC( 105 ) / 'TRPRXN ' /\n DATA GAS_CHEM_SPC( 106 ) / 'ACETYLENE ' /\n DATA GAS_CHEM_SPC( 107 ) / 'BENZENE ' /\n DATA GAS_CHEM_SPC( 108 ) / 'BENZRO2 ' /\n DATA GAS_CHEM_SPC( 109 ) / 'TOLUENE ' /\n DATA GAS_CHEM_SPC( 110 ) / 'TOLRO2 ' /\n DATA GAS_CHEM_SPC( 111 ) / 'MXYL ' /\n DATA GAS_CHEM_SPC( 112 ) / 'XYLRO2 ' /\n DATA GAS_CHEM_SPC( 113 ) / 'OXYL ' /\n DATA GAS_CHEM_SPC( 114 ) / 'PXYL ' /\n DATA GAS_CHEM_SPC( 115 ) / 'TMBENZ124 ' /\n DATA GAS_CHEM_SPC( 116 ) / 'ETOH ' /\n DATA GAS_CHEM_SPC( 117 ) / 'ALK1 ' /\n DATA GAS_CHEM_SPC( 118 ) / 'ALK2 ' /\n DATA GAS_CHEM_SPC( 119 ) / 'ALK3 ' /\n DATA GAS_CHEM_SPC( 120 ) / 'ALK4 ' /\n DATA GAS_CHEM_SPC( 121 ) / 'ALK5 ' /\n DATA GAS_CHEM_SPC( 122 ) / 'SOAALK ' /\n DATA GAS_CHEM_SPC( 123 ) / 'SVAVB2 ' /\n DATA GAS_CHEM_SPC( 124 ) / 'SVAVB3 ' /\n DATA GAS_CHEM_SPC( 125 ) / 'SVAVB4 ' /\n DATA GAS_CHEM_SPC( 126 ) / 'OLE1 ' /\n DATA GAS_CHEM_SPC( 127 ) / 'OLE2 ' /\n DATA GAS_CHEM_SPC( 128 ) / 'ARO1 ' /\n DATA GAS_CHEM_SPC( 129 ) / 'ARO2MN ' /\n DATA GAS_CHEM_SPC( 130 ) / 'NAPHTHAL ' /\n DATA GAS_CHEM_SPC( 131 ) / 'PAHRO2 ' /\n DATA GAS_CHEM_SPC( 132 ) / 'TERP ' /\n DATA GAS_CHEM_SPC( 133 ) / 'TERPNRO2 ' /\n DATA GAS_CHEM_SPC( 134 ) / 'SESQ ' /\n DATA GAS_CHEM_SPC( 135 ) / 'SESQRXN ' /\n DATA GAS_CHEM_SPC( 136 ) / 'CL2 ' /\n DATA GAS_CHEM_SPC( 137 ) / 'CL ' /\n DATA GAS_CHEM_SPC( 138 ) / 'CLNO ' /\n DATA GAS_CHEM_SPC( 139 ) / 'CLONO ' /\n DATA GAS_CHEM_SPC( 140 ) / 'CLNO2 ' /\n DATA GAS_CHEM_SPC( 141 ) / 'HCL ' /\n DATA GAS_CHEM_SPC( 142 ) / 'CLO ' /\n DATA GAS_CHEM_SPC( 143 ) / 'CLONO2 ' /\n DATA GAS_CHEM_SPC( 144 ) / 'HOCL ' /\n DATA GAS_CHEM_SPC( 145 ) / 'xCL ' /\n DATA GAS_CHEM_SPC( 146 ) / 'xCLCCHO ' /\n DATA GAS_CHEM_SPC( 147 ) / 'xCLACET ' /\n DATA GAS_CHEM_SPC( 148 ) / 'CLCCHO ' /\n DATA GAS_CHEM_SPC( 149 ) / 'CLACET ' /\n DATA GAS_CHEM_SPC( 150 ) / 'CLCHO ' /\n DATA GAS_CHEM_SPC( 151 ) / 'SVAVB1 ' /\n DATA GAS_CHEM_SPC( 152 ) / 'HCHO_PRIMARY ' /\n DATA GAS_CHEM_SPC( 153 ) / 'CCHO_PRIMARY ' /\n DATA GAS_CHEM_SPC( 154 ) / 'ACRO_PRIMARY ' /\n DATA GAS_CHEM_SPC( 155 ) / 'ISOPO2 ' /\n DATA GAS_CHEM_SPC( 156 ) / 'ISOPRXN ' /\n DATA GAS_CHEM_SPC( 157 ) / 'ISOPND ' /\n DATA GAS_CHEM_SPC( 158 ) / 'ISOPNB ' /\n DATA GAS_CHEM_SPC( 159 ) / 'HC5 ' /\n DATA GAS_CHEM_SPC( 160 ) / 'DIBOO ' /\n DATA GAS_CHEM_SPC( 161 ) / 'ISOPOOH ' /\n DATA GAS_CHEM_SPC( 162 ) / 'HPALD ' /\n DATA GAS_CHEM_SPC( 163 ) / 'HACET ' /\n DATA GAS_CHEM_SPC( 164 ) / 'NISOPO2 ' /\n DATA GAS_CHEM_SPC( 165 ) / 'NIT1 ' /\n DATA GAS_CHEM_SPC( 166 ) / 'NISOPOOH ' /\n DATA GAS_CHEM_SPC( 167 ) / 'HC5OO ' /\n DATA GAS_CHEM_SPC( 168 ) / 'DHMOB ' /\n DATA GAS_CHEM_SPC( 169 ) / 'ISOPNOOD ' /\n DATA GAS_CHEM_SPC( 170 ) / 'PROPNN ' /\n DATA GAS_CHEM_SPC( 171 ) / 'MVKN ' /\n DATA GAS_CHEM_SPC( 172 ) / 'ETHLN ' /\n DATA GAS_CHEM_SPC( 173 ) / 'RNO3I ' /\n DATA GAS_CHEM_SPC( 174 ) / 'ISOPNOOB ' /\n DATA GAS_CHEM_SPC( 175 ) / 'MACRN ' /\n DATA GAS_CHEM_SPC( 176 ) / 'NIT1NO3OOA ' /\n DATA GAS_CHEM_SPC( 177 ) / 'NIT1NO3OOB ' /\n DATA GAS_CHEM_SPC( 178 ) / 'ISOPNN ' /\n DATA GAS_CHEM_SPC( 179 ) / 'NIT1OHOO ' /\n DATA GAS_CHEM_SPC( 180 ) / 'MVKOO ' /\n DATA GAS_CHEM_SPC( 181 ) / 'MACROO ' /\n DATA GAS_CHEM_SPC( 182 ) / 'PYRUACD ' /\n DATA GAS_CHEM_SPC( 183 ) / 'IEPOX ' /\n DATA GAS_CHEM_SPC( 184 ) / 'IEPOXOO ' /\n DATA GAS_CHEM_SPC( 185 ) / 'IMPAA ' /\n DATA GAS_CHEM_SPC( 186 ) / 'IMAPAN ' /\n DATA GAS_CHEM_SPC( 187 ) / 'IMAE ' /\n DATA GAS_CHEM_SPC( 188 ) / 'IHMML ' /\n DATA GAS_CHEM_SPC( 189 ) / 'H2NO3PIJ ' /\n DATA GAS_CHEM_SPC( 190 ) / 'H2NO3PK ' /\n DATA GAS_CHEM_SPC( 191 ) / 'IEPOXP ' /\n DATA GAS_CHEM_SPC( 192 ) / 'IMAEP ' /\n DATA GAS_CHEM_SPC( 193 ) / 'IHMMLP ' /\n DATA GAS_CHEM_SPC( 194 ) / 'PCVOC ' /\n DATA GAS_CHEM_SPC( 195 ) / 'PCSOARXN ' /\n DATA GAS_CHEM_SPC( 196 ) / 'VLVPO1 ' /\n DATA GAS_CHEM_SPC( 197 ) / 'VSVPO1 ' /\n DATA GAS_CHEM_SPC( 198 ) / 'VSVPO2 ' /\n DATA GAS_CHEM_SPC( 199 ) / 'VSVPO3 ' /\n DATA GAS_CHEM_SPC( 200 ) / 'VIVPO1 ' /\n DATA GAS_CHEM_SPC( 201 ) / 'VLVOO1 ' /\n DATA GAS_CHEM_SPC( 202 ) / 'VLVOO2 ' /\n DATA GAS_CHEM_SPC( 203 ) / 'VSVOO2 ' /\n DATA GAS_CHEM_SPC( 204 ) / 'VSVOO3 ' /\n DATA GAS_CHEM_SPC( 205 ) / 'VSVOO1 ' /\n\n\n\n\n LOGICAL :: HALOGEN_PARAMETER = .TRUE. \n\n\n! The below character and integer arrays list the model species names used in the \n! chemical mechanism. The gas species and their order should agree with \n! the GC_SPC array for the gas phase chemistry to work correctly. \n! If present, the CHEMISTRY_SPC names and species type should agree with the CGRID_SPCS module\n\n\n! MAPPED_TO_CGRID declares whether CMAQ namelists were used to determine \n! the below values of CGRID_INDEX, SPECIES_TYPE, SPECIES_MOLWT, and CONVERT_CONC\n LOGICAL, PARAMETER, PRIVATE :: F = .FALSE.\n LOGICAL, PARAMETER, PRIVATE :: T = .TRUE.\n\n\n LOGICAL :: MAPPED_TO_CGRID = .FALSE. \n\n TYPE MEMBER\n CHARACTER( 16 ) :: CHEMISTRY_SPC\n INTEGER :: CGRID_INDEX\n CHARACTER( 2 ) :: SPECIES_TYPE\n REAL( 8 ) :: SPECIES_MOLWT\n LOGICAL :: CONVERT_CONC\n END TYPE MEMBER\n TYPE( MEMBER ) :: SPECIES_LIST( NUMB_MECH_SPC ) = (/ &\n & MEMBER(\"NO2 \", 1, \"GC\", 46.01D0, F), &\n & MEMBER(\"NO \", 2, \"GC\", 30.01D0, F), &\n & MEMBER(\"O3P \", 3, \"GC\", 16.00D0, F), &\n & MEMBER(\"O3 \", 4, \"GC\", 48.00D0, F), &\n & MEMBER(\"NO3 \", 5, \"GC\", 62.01D0, F), &\n & MEMBER(\"N2O5 \", 6, \"GC\", 108.02D0, F), &\n & MEMBER(\"HNO3 \", 7, \"GC\", 63.02D0, F), &\n & MEMBER(\"O1D \", 8, \"GC\", 16.00D0, F), &\n & MEMBER(\"OH \", 9, \"GC\", 17.01D0, F), &\n & MEMBER(\"HONO \", 10, \"GC\", 47.02D0, F), &\n & MEMBER(\"HO2 \", 11, \"GC\", 33.01D0, F), &\n & MEMBER(\"CO \", 12, \"GC\", 28.01D0, F), &\n & MEMBER(\"CO2 \", 13, \"GC\", 44.01D0, F), &\n & MEMBER(\"HNO4 \", 14, \"GC\", 79.02D0, F), &\n & MEMBER(\"HO2H \", 15, \"GC\", 34.01D0, F), &\n & MEMBER(\"SO2 \", 16, \"GC\", 64.06D0, F), &\n & MEMBER(\"SULF \", 17, \"GC\", 98.08D0, F), &\n & MEMBER(\"SULRXN \", 18, \"GC\", 98.08D0, F), &\n & MEMBER(\"MEO2 \", 19, \"GC\", 47.03D0, F), &\n & MEMBER(\"HCHO \", 20, \"GC\", 30.03D0, F), &\n & MEMBER(\"COOH \", 21, \"GC\", 48.04D0, F), &\n & MEMBER(\"MEOH \", 22, \"GC\", 32.04D0, F), &\n & MEMBER(\"RO2C \", 23, \"GC\", 1.00D0, F), &\n & MEMBER(\"RO2XC \", 24, \"GC\", 1.00D0, F), &\n & MEMBER(\"MECO3 \", 25, \"GC\", 75.04D0, F), &\n & MEMBER(\"PAN \", 26, \"GC\", 121.05D0, F), &\n & MEMBER(\"CCOOOH \", 27, \"GC\", 76.00D0, F), &\n & MEMBER(\"CCOOH \", 28, \"GC\", 60.05D0, F), &\n & MEMBER(\"RCO3 \", 29, \"GC\", 89.07D0, F), &\n & MEMBER(\"PAN2 \", 30, \"GC\", 135.08D0, F), &\n & MEMBER(\"xHO2 \", 31, \"GC\", 33.01D0, F), &\n & MEMBER(\"yROOH \", 32, \"GC\", 76.10D0, F), &\n & MEMBER(\"xCCHO \", 33, \"GC\", 44.05D0, F), &\n & MEMBER(\"RCOOOH \", 34, \"GC\", 74.08D0, F), &\n & MEMBER(\"RCOOH \", 35, \"GC\", 74.08D0, F), &\n & MEMBER(\"BZCO3 \", 36, \"GC\", 137.12D0, F), &\n & MEMBER(\"PBZN \", 37, \"GC\", 183.13D0, F), &\n & MEMBER(\"BZO \", 38, \"GC\", 93.00D0, F), &\n & MEMBER(\"MACO3 \", 39, \"GC\", 101.08D0, F), &\n & MEMBER(\"MAPAN \", 40, \"GC\", 147.09D0, F), &\n & MEMBER(\"TBUO \", 41, \"GC\", 73.00D0, F), &\n & MEMBER(\"RNO3 \", 42, \"GC\", 147.18D0, F), &\n & MEMBER(\"ACETONE \", 44, \"GC\", 58.08D0, F), &\n & MEMBER(\"NPHE \", 45, \"GC\", 139.11D0, F), &\n & MEMBER(\"CRES \", 46, \"GC\", 108.14D0, F), &\n & MEMBER(\"xOH \", 47, \"GC\", 17.01D0, F), &\n & MEMBER(\"xNO2 \", 48, \"GC\", 46.01D0, F), &\n & MEMBER(\"xMEO2 \", 49, \"GC\", 47.03D0, F), &\n & MEMBER(\"xMECO3 \", 50, \"GC\", 75.04D0, F), &\n & MEMBER(\"xRCO3 \", 51, \"GC\", 89.07D0, F), &\n & MEMBER(\"xMACO3 \", 52, \"GC\", 101.08D0, F), &\n & MEMBER(\"xTBUO \", 53, \"GC\", 73.00D0, F), &\n & MEMBER(\"xCO \", 54, \"GC\", 28.01D0, F), &\n & MEMBER(\"CCHO \", 55, \"GC\", 44.05D0, F), &\n & MEMBER(\"RCHO \", 56, \"GC\", 58.08D0, F), &\n & MEMBER(\"xHCHO \", 57, \"GC\", 30.03D0, F), &\n & MEMBER(\"MEK \", 58, \"GC\", 72.11D0, F), &\n & MEMBER(\"zRNO3 \", 59, \"GC\", 147.18D0, F), &\n & MEMBER(\"xRCHO \", 60, \"GC\", 58.08D0, F), &\n & MEMBER(\"HCOOH \", 61, \"GC\", 46.03D0, F), &\n & MEMBER(\"xMGLY \", 62, \"GC\", 72.07D0, F), &\n & MEMBER(\"xBACL \", 63, \"GC\", 86.09D0, F), &\n & MEMBER(\"ROOH \", 64, \"GC\", 76.10D0, F), &\n & MEMBER(\"xPROD2 \", 65, \"GC\", 116.16D0, F), &\n & MEMBER(\"R6OOH \", 66, \"GC\", 118.17D0, F), &\n & MEMBER(\"PRD2 \", 67, \"GC\", 116.16D0, F), &\n & MEMBER(\"yR6OOH \", 68, \"GC\", 118.17D0, F), &\n & MEMBER(\"RAOOH \", 71, \"GC\", 188.18D0, F), &\n & MEMBER(\"MGLY \", 72, \"GC\", 72.07D0, F), &\n & MEMBER(\"IPRD \", 73, \"GC\", 100.12D0, F), &\n & MEMBER(\"xGLY \", 74, \"GC\", 58.04D0, F), &\n & MEMBER(\"xMEK \", 75, \"GC\", 72.11D0, F), &\n & MEMBER(\"xAFG1 \", 76, \"GC\", 98.10D0, F), &\n & MEMBER(\"xAFG2 \", 77, \"GC\", 98.10D0, F), &\n & MEMBER(\"GLY \", 78, \"GC\", 58.04D0, F), &\n & MEMBER(\"AFG1 \", 79, \"GC\", 98.10D0, F), &\n & MEMBER(\"AFG2 \", 80, \"GC\", 98.10D0, F), &\n & MEMBER(\"HCOCO3 \", 81, \"GC\", 89.00D0, F), &\n & MEMBER(\"BACL \", 82, \"GC\", 86.09D0, F), &\n & MEMBER(\"BALD \", 83, \"GC\", 106.13D0, F), &\n & MEMBER(\"AFG3 \", 84, \"GC\", 124.14D0, F), &\n & MEMBER(\"xIPRD \", 85, \"GC\", 100.12D0, F), &\n & MEMBER(\"MACR \", 86, \"GC\", 70.09D0, F), &\n & MEMBER(\"MVK \", 87, \"GC\", 70.09D0, F), &\n & MEMBER(\"xHOCCHO \", 88, \"GC\", 60.05D0, F), &\n & MEMBER(\"xRNO3 \", 89, \"GC\", 147.18D0, F), &\n & MEMBER(\"HOCCHO \", 90, \"GC\", 60.05D0, F), &\n & MEMBER(\"xACETONE \", 91, \"GC\", 58.08D0, F), &\n & MEMBER(\"ACROLEIN \", 92, \"GC\", 56.06D0, F), &\n & MEMBER(\"xBALD \", 93, \"GC\", 106.13D0, F), &\n & MEMBER(\"xAFG3 \", 94, \"GC\", 124.74D0, F), &\n & MEMBER(\"xMACR \", 95, \"GC\", 70.09D0, F), &\n & MEMBER(\"xMVK \", 96, \"GC\", 70.09D0, F), &\n & MEMBER(\"xMTNO3 \", 70, \"GC\", 231.00D0, F), &\n & MEMBER(\"MTNO3 \", 43, \"GC\", 231.00D0, F), &\n & MEMBER(\"IMACO3 \", 180, \"GC\", 101.08D0, F), &\n & MEMBER(\"yRAOOH \", 97, \"GC\", 188.18D0, F), &\n & MEMBER(\"zMTNO3 \", 69, \"GC\", 231.00D0, F), &\n & MEMBER(\"xACROLEIN \", 98, \"GC\", 56.06D0, F), &\n & MEMBER(\"ETHENE \", 99, \"GC\", 28.05D0, F), &\n & MEMBER(\"PROPENE \", 100, \"GC\", 42.08D0, F), &\n & MEMBER(\"BUTADIENE13 \", 101, \"GC\", 54.09D0, F), &\n & MEMBER(\"ISOPRENE \", 102, \"GC\", 68.12D0, F), &\n & MEMBER(\"APIN \", 103, \"GC\", 136.23D0, F), &\n & MEMBER(\"TRPRXN \", 104, \"GC\", 136.00D0, F), &\n & MEMBER(\"ACETYLENE \", 105, \"GC\", 26.04D0, F), &\n & MEMBER(\"BENZENE \", 106, \"GC\", 78.11D0, F), &\n & MEMBER(\"BENZRO2 \", 107, \"GC\", 159.11D0, F), &\n & MEMBER(\"TOLUENE \", 108, \"GC\", 92.14D0, F), &\n & MEMBER(\"TOLRO2 \", 109, \"GC\", 172.14D0, F), &\n & MEMBER(\"MXYL \", 110, \"GC\", 106.17D0, F), &\n & MEMBER(\"XYLRO2 \", 111, \"GC\", 187.17D0, F), &\n & MEMBER(\"OXYL \", 112, \"GC\", 106.17D0, F), &\n & MEMBER(\"PXYL \", 113, \"GC\", 106.17D0, F), &\n & MEMBER(\"TMBENZ124 \", 114, \"GC\", 120.19D0, F), &\n & MEMBER(\"ETOH \", 115, \"GC\", 46.07D0, F), &\n & MEMBER(\"ALK1 \", 116, \"GC\", 30.07D0, F), &\n & MEMBER(\"ALK2 \", 117, \"GC\", 36.73D0, F), &\n & MEMBER(\"ALK3 \", 118, \"GC\", 58.61D0, F), &\n & MEMBER(\"ALK4 \", 119, \"GC\", 77.60D0, F), &\n & MEMBER(\"ALK5 \", 120, \"GC\", 118.89D0, F), &\n & MEMBER(\"SOAALK \", 121, \"GC\", 112.00D0, F), &\n & MEMBER(\"SVAVB2 \", 203, \"GC\", 179.00D0, F), &\n & MEMBER(\"SVAVB3 \", 204, \"GC\", 169.00D0, F), &\n & MEMBER(\"SVAVB4 \", 205, \"GC\", 158.00D0, F), &\n & MEMBER(\"OLE1 \", 122, \"GC\", 72.34D0, F), &\n & MEMBER(\"OLE2 \", 123, \"GC\", 75.78D0, F), &\n & MEMBER(\"ARO1 \", 124, \"GC\", 95.16D0, F), &\n & MEMBER(\"ARO2MN \", 125, \"GC\", 118.72D0, F), &\n & MEMBER(\"NAPHTHAL \", 126, \"GC\", 128.20D0, F), &\n & MEMBER(\"PAHRO2 \", 127, \"GC\", 187.20D0, F), &\n & MEMBER(\"TERP \", 128, \"GC\", 136.24D0, F), &\n & MEMBER(\"TERPNRO2 \", 129, \"GC\", 197.00D0, F), &\n & MEMBER(\"SESQ \", 130, \"GC\", 204.35D0, F), &\n & MEMBER(\"SESQRXN \", 131, \"GC\", 204.35D0, F), &\n & MEMBER(\"CL2 \", 132, \"GC\", 70.00D0, F), &\n & MEMBER(\"CL \", 133, \"GC\", 35.50D0, F), &\n & MEMBER(\"CLNO \", 134, \"GC\", 65.50D0, F), &\n & MEMBER(\"CLONO \", 135, \"GC\", 81.50D0, F), &\n & MEMBER(\"CLNO2 \", 136, \"GC\", 81.50D0, F), &\n & MEMBER(\"HCL \", 137, \"GC\", 36.50D0, F), &\n & MEMBER(\"CLO \", 138, \"GC\", 51.50D0, F), &\n & MEMBER(\"CLONO2 \", 139, \"GC\", 97.45D0, F), &\n & MEMBER(\"HOCL \", 140, \"GC\", 52.50D0, F), &\n & MEMBER(\"xCL \", 141, \"GC\", 35.50D0, F), &\n & MEMBER(\"xCLCCHO \", 142, \"GC\", 78.50D0, F), &\n & MEMBER(\"xCLACET \", 143, \"GC\", 92.50D0, F), &\n & MEMBER(\"CLCCHO \", 144, \"GC\", 78.50D0, F), &\n & MEMBER(\"CLACET \", 145, \"GC\", 92.50D0, F), &\n & MEMBER(\"CLCHO \", 146, \"GC\", 64.50D0, F), &\n & MEMBER(\"SVAVB1 \", 202, \"GC\", 198.00D0, F), &\n & MEMBER(\"HCHO_PRIMARY \", 147, \"GC\", 30.03D0, F), &\n & MEMBER(\"CCHO_PRIMARY \", 148, \"GC\", 44.05D0, F), &\n & MEMBER(\"ACRO_PRIMARY \", 149, \"GC\", 56.06D0, F), &\n & MEMBER(\"ISOPO2 \", 150, \"GC\", 117.10D0, F), &\n & MEMBER(\"ISOPRXN \", 151, \"GC\", 68.00D0, F), &\n & MEMBER(\"ISOPND \", 152, \"GC\", 147.10D0, F), &\n & MEMBER(\"ISOPNB \", 153, \"GC\", 147.10D0, F), &\n & MEMBER(\"HC5 \", 154, \"GC\", 100.10D0, F), &\n & MEMBER(\"DIBOO \", 155, \"GC\", 133.10D0, F), &\n & MEMBER(\"ISOPOOH \", 156, \"GC\", 118.10D0, F), &\n & MEMBER(\"HPALD \", 157, \"GC\", 116.12D0, F), &\n & MEMBER(\"HACET \", 158, \"GC\", 74.10D0, F), &\n & MEMBER(\"NISOPO2 \", 159, \"GC\", 162.10D0, F), &\n & MEMBER(\"NIT1 \", 160, \"GC\", 145.10D0, F), &\n & MEMBER(\"NISOPOOH \", 161, \"GC\", 163.13D0, F), &\n & MEMBER(\"HC5OO \", 162, \"GC\", 149.10D0, F), &\n & MEMBER(\"DHMOB \", 163, \"GC\", 132.10D0, F), &\n & MEMBER(\"ISOPNOOD \", 164, \"GC\", 196.10D0, F), &\n & MEMBER(\"PROPNN \", 165, \"GC\", 119.10D0, F), &\n & MEMBER(\"MVKN \", 166, \"GC\", 149.10D0, F), &\n & MEMBER(\"ETHLN \", 167, \"GC\", 105.00D0, F), &\n & MEMBER(\"RNO3I \", 168, \"GC\", 147.18D0, F), &\n & MEMBER(\"ISOPNOOB \", 169, \"GC\", 196.10D0, F), &\n & MEMBER(\"MACRN \", 170, \"GC\", 149.10D0, F), &\n & MEMBER(\"NIT1NO3OOA \", 171, \"GC\", 176.10D0, F), &\n & MEMBER(\"NIT1NO3OOB \", 172, \"GC\", 239.10D0, F), &\n & MEMBER(\"ISOPNN \", 173, \"GC\", 226.00D0, F), &\n & MEMBER(\"NIT1OHOO \", 174, \"GC\", 194.12D0, F), &\n & MEMBER(\"MVKOO \", 175, \"GC\", 119.10D0, F), &\n & MEMBER(\"MACROO \", 176, \"GC\", 119.10D0, F), &\n & MEMBER(\"PYRUACD \", 177, \"GC\", 88.10D0, F), &\n & MEMBER(\"IEPOX \", 178, \"GC\", 118.13D0, F), &\n & MEMBER(\"IEPOXOO \", 179, \"GC\", 149.12D0, F), &\n & MEMBER(\"IMPAA \", 181, \"GC\", 102.08D0, F), &\n & MEMBER(\"IMAPAN \", 182, \"GC\", 147.09D0, F), &\n & MEMBER(\"IMAE \", 183, \"GC\", 102.00D0, F), &\n & MEMBER(\"IHMML \", 184, \"GC\", 102.00D0, F), &\n & MEMBER(\"H2NO3PIJ \", 185, \"GC\", 64.00D0, F), &\n & MEMBER(\"H2NO3PK \", 186, \"GC\", 64.00D0, F), &\n & MEMBER(\"ACLI \", 218, \"AE\", 35.50D0, T), &\n & MEMBER(\"ACLJ \", 219, \"AE\", 35.50D0, T), &\n & MEMBER(\"ACLK \", 220, \"AE\", 35.50D0, T), &\n & MEMBER(\"IEPOXP \", 187, \"GC\", 118.13D0, F), &\n & MEMBER(\"IMAEP \", 188, \"GC\", 102.00D0, F), &\n & MEMBER(\"IHMMLP \", 189, \"GC\", 102.00D0, F), &\n & MEMBER(\"AIETETJ \", 260, \"AE\", 136.15D0, T), &\n & MEMBER(\"ASO4J \", 208, \"AE\", 96.00D0, T), &\n & MEMBER(\"AIEOSJ \", 261, \"AE\", 216.20D0, T), &\n & MEMBER(\"ADIMJ \", 262, \"AE\", 248.23D0, T), &\n & MEMBER(\"AIMGAJ \", 263, \"AE\", 120.10D0, T), &\n & MEMBER(\"AIMOSJ \", 264, \"AE\", 200.16D0, T), &\n & MEMBER(\"AISO1J \", 221, \"AE\", 132.00D0, T), &\n & MEMBER(\"AOLGBJ \", 255, \"AE\", 248.00D0, T), &\n & MEMBER(\"AISO2J \", 222, \"AE\", 133.00D0, T), &\n & MEMBER(\"ASQTJ \", 223, \"AE\", 273.00D0, T), &\n & MEMBER(\"AAVB2J \", 288, \"AE\", 179.00D0, T), &\n & MEMBER(\"AOLGAJ \", 254, \"AE\", 206.00D0, T), &\n & MEMBER(\"AAVB3J \", 289, \"AE\", 169.00D0, T), &\n & MEMBER(\"AAVB4J \", 290, \"AE\", 158.00D0, T), &\n & MEMBER(\"APOCI \", 265, \"AE\", 220.00D0, T), &\n & MEMBER(\"APNCOMI \", 267, \"AE\", 220.00D0, T), &\n & MEMBER(\"APOCJ \", 266, \"AE\", 220.00D0, T), &\n & MEMBER(\"APNCOMJ \", 268, \"AE\", 220.00D0, T), &\n & MEMBER(\"PCVOC \", 200, \"GC\", 170.00D0, F), &\n & MEMBER(\"PCSOARXN \", 201, \"GC\", 170.00D0, F), &\n & MEMBER(\"VLVPO1 \", 190, \"GC\", 218.00D0, F), &\n & MEMBER(\"VSVPO1 \", 191, \"GC\", 230.00D0, F), &\n & MEMBER(\"VSVPO2 \", 192, \"GC\", 241.00D0, F), &\n & MEMBER(\"VSVPO3 \", 193, \"GC\", 253.00D0, F), &\n & MEMBER(\"VIVPO1 \", 194, \"GC\", 266.00D0, F), &\n & MEMBER(\"VLVOO1 \", 195, \"GC\", 136.00D0, F), &\n & MEMBER(\"VLVOO2 \", 196, \"GC\", 136.00D0, F), &\n & MEMBER(\"VSVOO2 \", 198, \"GC\", 135.00D0, F), &\n & MEMBER(\"VSVOO3 \", 199, \"GC\", 134.00D0, F), &\n & MEMBER(\"VSVOO1 \", 197, \"GC\", 135.00D0, F), &\n & MEMBER(\"AMTNO3J \", 257, \"AE\", 231.00D0, T), &\n & MEMBER(\"AMTHYDJ \", 259, \"AE\", 186.00D0, T), &\n & MEMBER(\"AISOPNNJ \", 258, \"AE\", 226.00D0, T), &\n & MEMBER(\"AGLYJ \", 256, \"AE\", 66.40D0, T) /)\n\n DATA CHEMISTRY_SPC( 1 ), SPECIES_MOLWT( 1 ) / 'NO2 ', 46.01D0 /\n DATA CHEMISTRY_SPC( 2 ), SPECIES_MOLWT( 2 ) / 'NO ', 30.01D0 /\n DATA CHEMISTRY_SPC( 3 ), SPECIES_MOLWT( 3 ) / 'O3P ', 16.00D0 /\n DATA CHEMISTRY_SPC( 4 ), SPECIES_MOLWT( 4 ) / 'O3 ', 48.00D0 /\n DATA CHEMISTRY_SPC( 5 ), SPECIES_MOLWT( 5 ) / 'NO3 ', 62.01D0 /\n DATA CHEMISTRY_SPC( 6 ), SPECIES_MOLWT( 6 ) / 'N2O5 ', 108.02D0 /\n DATA CHEMISTRY_SPC( 7 ), SPECIES_MOLWT( 7 ) / 'HNO3 ', 63.02D0 /\n DATA CHEMISTRY_SPC( 8 ), SPECIES_MOLWT( 8 ) / 'O1D ', 16.00D0 /\n DATA CHEMISTRY_SPC( 9 ), SPECIES_MOLWT( 9 ) / 'OH ', 17.01D0 /\n DATA CHEMISTRY_SPC( 10 ), SPECIES_MOLWT( 10 ) / 'HONO ', 47.02D0 /\n DATA CHEMISTRY_SPC( 11 ), SPECIES_MOLWT( 11 ) / 'HO2 ', 33.01D0 /\n DATA CHEMISTRY_SPC( 12 ), SPECIES_MOLWT( 12 ) / 'CO ', 28.01D0 /\n DATA CHEMISTRY_SPC( 13 ), SPECIES_MOLWT( 13 ) / 'CO2 ', 44.01D0 /\n DATA CHEMISTRY_SPC( 14 ), SPECIES_MOLWT( 14 ) / 'HNO4 ', 79.02D0 /\n DATA CHEMISTRY_SPC( 15 ), SPECIES_MOLWT( 15 ) / 'HO2H ', 34.01D0 /\n DATA CHEMISTRY_SPC( 16 ), SPECIES_MOLWT( 16 ) / 'SO2 ', 64.06D0 /\n DATA CHEMISTRY_SPC( 17 ), SPECIES_MOLWT( 17 ) / 'SULF ', 98.08D0 /\n DATA CHEMISTRY_SPC( 18 ), SPECIES_MOLWT( 18 ) / 'SULRXN ', 98.08D0 /\n DATA CHEMISTRY_SPC( 19 ), SPECIES_MOLWT( 19 ) / 'MEO2 ', 47.03D0 /\n DATA CHEMISTRY_SPC( 20 ), SPECIES_MOLWT( 20 ) / 'HCHO ', 30.03D0 /\n DATA CHEMISTRY_SPC( 21 ), SPECIES_MOLWT( 21 ) / 'COOH ', 48.04D0 /\n DATA CHEMISTRY_SPC( 22 ), SPECIES_MOLWT( 22 ) / 'MEOH ', 32.04D0 /\n DATA CHEMISTRY_SPC( 23 ), SPECIES_MOLWT( 23 ) / 'RO2C ', 1.00D0 /\n DATA CHEMISTRY_SPC( 24 ), SPECIES_MOLWT( 24 ) / 'RO2XC ', 1.00D0 /\n DATA CHEMISTRY_SPC( 25 ), SPECIES_MOLWT( 25 ) / 'MECO3 ', 75.04D0 /\n DATA CHEMISTRY_SPC( 26 ), SPECIES_MOLWT( 26 ) / 'PAN ', 121.05D0 /\n DATA CHEMISTRY_SPC( 27 ), SPECIES_MOLWT( 27 ) / 'CCOOOH ', 76.00D0 /\n DATA CHEMISTRY_SPC( 28 ), SPECIES_MOLWT( 28 ) / 'CCOOH ', 60.05D0 /\n DATA CHEMISTRY_SPC( 29 ), SPECIES_MOLWT( 29 ) / 'RCO3 ', 89.07D0 /\n DATA CHEMISTRY_SPC( 30 ), SPECIES_MOLWT( 30 ) / 'PAN2 ', 135.08D0 /\n DATA CHEMISTRY_SPC( 31 ), SPECIES_MOLWT( 31 ) / 'xHO2 ', 33.01D0 /\n DATA CHEMISTRY_SPC( 32 ), SPECIES_MOLWT( 32 ) / 'yROOH ', 76.10D0 /\n DATA CHEMISTRY_SPC( 33 ), SPECIES_MOLWT( 33 ) / 'xCCHO ', 44.05D0 /\n DATA CHEMISTRY_SPC( 34 ), SPECIES_MOLWT( 34 ) / 'RCOOOH ', 74.08D0 /\n DATA CHEMISTRY_SPC( 35 ), SPECIES_MOLWT( 35 ) / 'RCOOH ', 74.08D0 /\n DATA CHEMISTRY_SPC( 36 ), SPECIES_MOLWT( 36 ) / 'BZCO3 ', 137.12D0 /\n DATA CHEMISTRY_SPC( 37 ), SPECIES_MOLWT( 37 ) / 'PBZN ', 183.13D0 /\n DATA CHEMISTRY_SPC( 38 ), SPECIES_MOLWT( 38 ) / 'BZO ', 93.00D0 /\n DATA CHEMISTRY_SPC( 39 ), SPECIES_MOLWT( 39 ) / 'MACO3 ', 101.08D0 /\n DATA CHEMISTRY_SPC( 40 ), SPECIES_MOLWT( 40 ) / 'MAPAN ', 147.09D0 /\n DATA CHEMISTRY_SPC( 41 ), SPECIES_MOLWT( 41 ) / 'TBUO ', 73.00D0 /\n DATA CHEMISTRY_SPC( 42 ), SPECIES_MOLWT( 42 ) / 'RNO3 ', 147.18D0 /\n DATA CHEMISTRY_SPC( 43 ), SPECIES_MOLWT( 43 ) / 'ACETONE ', 58.08D0 /\n DATA CHEMISTRY_SPC( 44 ), SPECIES_MOLWT( 44 ) / 'NPHE ', 139.11D0 /\n DATA CHEMISTRY_SPC( 45 ), SPECIES_MOLWT( 45 ) / 'CRES ', 108.14D0 /\n DATA CHEMISTRY_SPC( 46 ), SPECIES_MOLWT( 46 ) / 'xOH ', 17.01D0 /\n DATA CHEMISTRY_SPC( 47 ), SPECIES_MOLWT( 47 ) / 'xNO2 ', 46.01D0 /\n DATA CHEMISTRY_SPC( 48 ), SPECIES_MOLWT( 48 ) / 'xMEO2 ', 47.03D0 /\n DATA CHEMISTRY_SPC( 49 ), SPECIES_MOLWT( 49 ) / 'xMECO3 ', 75.04D0 /\n DATA CHEMISTRY_SPC( 50 ), SPECIES_MOLWT( 50 ) / 'xRCO3 ', 89.07D0 /\n DATA CHEMISTRY_SPC( 51 ), SPECIES_MOLWT( 51 ) / 'xMACO3 ', 101.08D0 /\n DATA CHEMISTRY_SPC( 52 ), SPECIES_MOLWT( 52 ) / 'xTBUO ', 73.00D0 /\n DATA CHEMISTRY_SPC( 53 ), SPECIES_MOLWT( 53 ) / 'xCO ', 28.01D0 /\n DATA CHEMISTRY_SPC( 54 ), SPECIES_MOLWT( 54 ) / 'CCHO ', 44.05D0 /\n DATA CHEMISTRY_SPC( 55 ), SPECIES_MOLWT( 55 ) / 'RCHO ', 58.08D0 /\n DATA CHEMISTRY_SPC( 56 ), SPECIES_MOLWT( 56 ) / 'xHCHO ', 30.03D0 /\n DATA CHEMISTRY_SPC( 57 ), SPECIES_MOLWT( 57 ) / 'MEK ', 72.11D0 /\n DATA CHEMISTRY_SPC( 58 ), SPECIES_MOLWT( 58 ) / 'zRNO3 ', 147.18D0 /\n DATA CHEMISTRY_SPC( 59 ), SPECIES_MOLWT( 59 ) / 'xRCHO ', 58.08D0 /\n DATA CHEMISTRY_SPC( 60 ), SPECIES_MOLWT( 60 ) / 'HCOOH ', 46.03D0 /\n DATA CHEMISTRY_SPC( 61 ), SPECIES_MOLWT( 61 ) / 'xMGLY ', 72.07D0 /\n DATA CHEMISTRY_SPC( 62 ), SPECIES_MOLWT( 62 ) / 'xBACL ', 86.09D0 /\n DATA CHEMISTRY_SPC( 63 ), SPECIES_MOLWT( 63 ) / 'ROOH ', 76.10D0 /\n DATA CHEMISTRY_SPC( 64 ), SPECIES_MOLWT( 64 ) / 'xPROD2 ', 116.16D0 /\n DATA CHEMISTRY_SPC( 65 ), SPECIES_MOLWT( 65 ) / 'R6OOH ', 118.17D0 /\n DATA CHEMISTRY_SPC( 66 ), SPECIES_MOLWT( 66 ) / 'PRD2 ', 116.16D0 /\n DATA CHEMISTRY_SPC( 67 ), SPECIES_MOLWT( 67 ) / 'yR6OOH ', 118.17D0 /\n DATA CHEMISTRY_SPC( 68 ), SPECIES_MOLWT( 68 ) / 'RAOOH ', 188.18D0 /\n DATA CHEMISTRY_SPC( 69 ), SPECIES_MOLWT( 69 ) / 'MGLY ', 72.07D0 /\n DATA CHEMISTRY_SPC( 70 ), SPECIES_MOLWT( 70 ) / 'IPRD ', 100.12D0 /\n DATA CHEMISTRY_SPC( 71 ), SPECIES_MOLWT( 71 ) / 'xGLY ', 58.04D0 /\n DATA CHEMISTRY_SPC( 72 ), SPECIES_MOLWT( 72 ) / 'xMEK ', 72.11D0 /\n DATA CHEMISTRY_SPC( 73 ), SPECIES_MOLWT( 73 ) / 'xAFG1 ', 98.10D0 /\n DATA CHEMISTRY_SPC( 74 ), SPECIES_MOLWT( 74 ) / 'xAFG2 ', 98.10D0 /\n DATA CHEMISTRY_SPC( 75 ), SPECIES_MOLWT( 75 ) / 'GLY ', 58.04D0 /\n DATA CHEMISTRY_SPC( 76 ), SPECIES_MOLWT( 76 ) / 'AFG1 ', 98.10D0 /\n DATA CHEMISTRY_SPC( 77 ), SPECIES_MOLWT( 77 ) / 'AFG2 ', 98.10D0 /\n DATA CHEMISTRY_SPC( 78 ), SPECIES_MOLWT( 78 ) / 'HCOCO3 ', 89.00D0 /\n DATA CHEMISTRY_SPC( 79 ), SPECIES_MOLWT( 79 ) / 'BACL ', 86.09D0 /\n DATA CHEMISTRY_SPC( 80 ), SPECIES_MOLWT( 80 ) / 'BALD ', 106.13D0 /\n DATA CHEMISTRY_SPC( 81 ), SPECIES_MOLWT( 81 ) / 'AFG3 ', 124.14D0 /\n DATA CHEMISTRY_SPC( 82 ), SPECIES_MOLWT( 82 ) / 'xIPRD ', 100.12D0 /\n DATA CHEMISTRY_SPC( 83 ), SPECIES_MOLWT( 83 ) / 'MACR ', 70.09D0 /\n DATA CHEMISTRY_SPC( 84 ), SPECIES_MOLWT( 84 ) / 'MVK ', 70.09D0 /\n DATA CHEMISTRY_SPC( 85 ), SPECIES_MOLWT( 85 ) / 'xHOCCHO ', 60.05D0 /\n DATA CHEMISTRY_SPC( 86 ), SPECIES_MOLWT( 86 ) / 'xRNO3 ', 147.18D0 /\n DATA CHEMISTRY_SPC( 87 ), SPECIES_MOLWT( 87 ) / 'HOCCHO ', 60.05D0 /\n DATA CHEMISTRY_SPC( 88 ), SPECIES_MOLWT( 88 ) / 'xACETONE ', 58.08D0 /\n DATA CHEMISTRY_SPC( 89 ), SPECIES_MOLWT( 89 ) / 'ACROLEIN ', 56.06D0 /\n DATA CHEMISTRY_SPC( 90 ), SPECIES_MOLWT( 90 ) / 'xBALD ', 106.13D0 /\n DATA CHEMISTRY_SPC( 91 ), SPECIES_MOLWT( 91 ) / 'xAFG3 ', 124.74D0 /\n DATA CHEMISTRY_SPC( 92 ), SPECIES_MOLWT( 92 ) / 'xMACR ', 70.09D0 /\n DATA CHEMISTRY_SPC( 93 ), SPECIES_MOLWT( 93 ) / 'xMVK ', 70.09D0 /\n DATA CHEMISTRY_SPC( 94 ), SPECIES_MOLWT( 94 ) / 'xMTNO3 ', 231.00D0 /\n DATA CHEMISTRY_SPC( 95 ), SPECIES_MOLWT( 95 ) / 'MTNO3 ', 231.00D0 /\n DATA CHEMISTRY_SPC( 96 ), SPECIES_MOLWT( 96 ) / 'IMACO3 ', 101.08D0 /\n DATA CHEMISTRY_SPC( 97 ), SPECIES_MOLWT( 97 ) / 'yRAOOH ', 188.18D0 /\n DATA CHEMISTRY_SPC( 98 ), SPECIES_MOLWT( 98 ) / 'zMTNO3 ', 231.00D0 /\n DATA CHEMISTRY_SPC( 99 ), SPECIES_MOLWT( 99 ) / 'xACROLEIN ', 56.06D0 /\n DATA CHEMISTRY_SPC( 100 ), SPECIES_MOLWT( 100 ) / 'ETHENE ', 28.05D0 /\n DATA CHEMISTRY_SPC( 101 ), SPECIES_MOLWT( 101 ) / 'PROPENE ', 42.08D0 /\n DATA CHEMISTRY_SPC( 102 ), SPECIES_MOLWT( 102 ) / 'BUTADIENE13 ', 54.09D0 /\n DATA CHEMISTRY_SPC( 103 ), SPECIES_MOLWT( 103 ) / 'ISOPRENE ', 68.12D0 /\n DATA CHEMISTRY_SPC( 104 ), SPECIES_MOLWT( 104 ) / 'APIN ', 136.23D0 /\n DATA CHEMISTRY_SPC( 105 ), SPECIES_MOLWT( 105 ) / 'TRPRXN ', 136.00D0 /\n DATA CHEMISTRY_SPC( 106 ), SPECIES_MOLWT( 106 ) / 'ACETYLENE ', 26.04D0 /\n DATA CHEMISTRY_SPC( 107 ), SPECIES_MOLWT( 107 ) / 'BENZENE ', 78.11D0 /\n DATA CHEMISTRY_SPC( 108 ), SPECIES_MOLWT( 108 ) / 'BENZRO2 ', 159.11D0 /\n DATA CHEMISTRY_SPC( 109 ), SPECIES_MOLWT( 109 ) / 'TOLUENE ', 92.14D0 /\n DATA CHEMISTRY_SPC( 110 ), SPECIES_MOLWT( 110 ) / 'TOLRO2 ', 172.14D0 /\n DATA CHEMISTRY_SPC( 111 ), SPECIES_MOLWT( 111 ) / 'MXYL ', 106.17D0 /\n DATA CHEMISTRY_SPC( 112 ), SPECIES_MOLWT( 112 ) / 'XYLRO2 ', 187.17D0 /\n DATA CHEMISTRY_SPC( 113 ), SPECIES_MOLWT( 113 ) / 'OXYL ', 106.17D0 /\n DATA CHEMISTRY_SPC( 114 ), SPECIES_MOLWT( 114 ) / 'PXYL ', 106.17D0 /\n DATA CHEMISTRY_SPC( 115 ), SPECIES_MOLWT( 115 ) / 'TMBENZ124 ', 120.19D0 /\n DATA CHEMISTRY_SPC( 116 ), SPECIES_MOLWT( 116 ) / 'ETOH ', 46.07D0 /\n DATA CHEMISTRY_SPC( 117 ), SPECIES_MOLWT( 117 ) / 'ALK1 ', 30.07D0 /\n DATA CHEMISTRY_SPC( 118 ), SPECIES_MOLWT( 118 ) / 'ALK2 ', 36.73D0 /\n DATA CHEMISTRY_SPC( 119 ), SPECIES_MOLWT( 119 ) / 'ALK3 ', 58.61D0 /\n DATA CHEMISTRY_SPC( 120 ), SPECIES_MOLWT( 120 ) / 'ALK4 ', 77.60D0 /\n DATA CHEMISTRY_SPC( 121 ), SPECIES_MOLWT( 121 ) / 'ALK5 ', 118.89D0 /\n DATA CHEMISTRY_SPC( 122 ), SPECIES_MOLWT( 122 ) / 'SOAALK ', 112.00D0 /\n DATA CHEMISTRY_SPC( 123 ), SPECIES_MOLWT( 123 ) / 'SVAVB2 ', 179.00D0 /\n DATA CHEMISTRY_SPC( 124 ), SPECIES_MOLWT( 124 ) / 'SVAVB3 ', 169.00D0 /\n DATA CHEMISTRY_SPC( 125 ), SPECIES_MOLWT( 125 ) / 'SVAVB4 ', 158.00D0 /\n DATA CHEMISTRY_SPC( 126 ), SPECIES_MOLWT( 126 ) / 'OLE1 ', 72.34D0 /\n DATA CHEMISTRY_SPC( 127 ), SPECIES_MOLWT( 127 ) / 'OLE2 ', 75.78D0 /\n DATA CHEMISTRY_SPC( 128 ), SPECIES_MOLWT( 128 ) / 'ARO1 ', 95.16D0 /\n DATA CHEMISTRY_SPC( 129 ), SPECIES_MOLWT( 129 ) / 'ARO2MN ', 118.72D0 /\n DATA CHEMISTRY_SPC( 130 ), SPECIES_MOLWT( 130 ) / 'NAPHTHAL ', 128.20D0 /\n DATA CHEMISTRY_SPC( 131 ), SPECIES_MOLWT( 131 ) / 'PAHRO2 ', 187.20D0 /\n DATA CHEMISTRY_SPC( 132 ), SPECIES_MOLWT( 132 ) / 'TERP ', 136.24D0 /\n DATA CHEMISTRY_SPC( 133 ), SPECIES_MOLWT( 133 ) / 'TERPNRO2 ', 197.00D0 /\n DATA CHEMISTRY_SPC( 134 ), SPECIES_MOLWT( 134 ) / 'SESQ ', 204.35D0 /\n DATA CHEMISTRY_SPC( 135 ), SPECIES_MOLWT( 135 ) / 'SESQRXN ', 204.35D0 /\n DATA CHEMISTRY_SPC( 136 ), SPECIES_MOLWT( 136 ) / 'CL2 ', 70.00D0 /\n DATA CHEMISTRY_SPC( 137 ), SPECIES_MOLWT( 137 ) / 'CL ', 35.50D0 /\n DATA CHEMISTRY_SPC( 138 ), SPECIES_MOLWT( 138 ) / 'CLNO ', 65.50D0 /\n DATA CHEMISTRY_SPC( 139 ), SPECIES_MOLWT( 139 ) / 'CLONO ', 81.50D0 /\n DATA CHEMISTRY_SPC( 140 ), SPECIES_MOLWT( 140 ) / 'CLNO2 ', 81.50D0 /\n DATA CHEMISTRY_SPC( 141 ), SPECIES_MOLWT( 141 ) / 'HCL ', 36.50D0 /\n DATA CHEMISTRY_SPC( 142 ), SPECIES_MOLWT( 142 ) / 'CLO ', 51.50D0 /\n DATA CHEMISTRY_SPC( 143 ), SPECIES_MOLWT( 143 ) / 'CLONO2 ', 97.45D0 /\n DATA CHEMISTRY_SPC( 144 ), SPECIES_MOLWT( 144 ) / 'HOCL ', 52.50D0 /\n DATA CHEMISTRY_SPC( 145 ), SPECIES_MOLWT( 145 ) / 'xCL ', 35.50D0 /\n DATA CHEMISTRY_SPC( 146 ), SPECIES_MOLWT( 146 ) / 'xCLCCHO ', 78.50D0 /\n DATA CHEMISTRY_SPC( 147 ), SPECIES_MOLWT( 147 ) / 'xCLACET ', 92.50D0 /\n DATA CHEMISTRY_SPC( 148 ), SPECIES_MOLWT( 148 ) / 'CLCCHO ', 78.50D0 /\n DATA CHEMISTRY_SPC( 149 ), SPECIES_MOLWT( 149 ) / 'CLACET ', 92.50D0 /\n DATA CHEMISTRY_SPC( 150 ), SPECIES_MOLWT( 150 ) / 'CLCHO ', 64.50D0 /\n DATA CHEMISTRY_SPC( 151 ), SPECIES_MOLWT( 151 ) / 'SVAVB1 ', 198.00D0 /\n DATA CHEMISTRY_SPC( 152 ), SPECIES_MOLWT( 152 ) / 'HCHO_PRIMARY ', 30.03D0 /\n DATA CHEMISTRY_SPC( 153 ), SPECIES_MOLWT( 153 ) / 'CCHO_PRIMARY ', 44.05D0 /\n DATA CHEMISTRY_SPC( 154 ), SPECIES_MOLWT( 154 ) / 'ACRO_PRIMARY ', 56.06D0 /\n DATA CHEMISTRY_SPC( 155 ), SPECIES_MOLWT( 155 ) / 'ISOPO2 ', 117.10D0 /\n DATA CHEMISTRY_SPC( 156 ), SPECIES_MOLWT( 156 ) / 'ISOPRXN ', 68.00D0 /\n DATA CHEMISTRY_SPC( 157 ), SPECIES_MOLWT( 157 ) / 'ISOPND ', 147.10D0 /\n DATA CHEMISTRY_SPC( 158 ), SPECIES_MOLWT( 158 ) / 'ISOPNB ', 147.10D0 /\n DATA CHEMISTRY_SPC( 159 ), SPECIES_MOLWT( 159 ) / 'HC5 ', 100.10D0 /\n DATA CHEMISTRY_SPC( 160 ), SPECIES_MOLWT( 160 ) / 'DIBOO ', 133.10D0 /\n DATA CHEMISTRY_SPC( 161 ), SPECIES_MOLWT( 161 ) / 'ISOPOOH ', 118.10D0 /\n DATA CHEMISTRY_SPC( 162 ), SPECIES_MOLWT( 162 ) / 'HPALD ', 116.12D0 /\n DATA CHEMISTRY_SPC( 163 ), SPECIES_MOLWT( 163 ) / 'HACET ', 74.10D0 /\n DATA CHEMISTRY_SPC( 164 ), SPECIES_MOLWT( 164 ) / 'NISOPO2 ', 162.10D0 /\n DATA CHEMISTRY_SPC( 165 ), SPECIES_MOLWT( 165 ) / 'NIT1 ', 145.10D0 /\n DATA CHEMISTRY_SPC( 166 ), SPECIES_MOLWT( 166 ) / 'NISOPOOH ', 163.13D0 /\n DATA CHEMISTRY_SPC( 167 ), SPECIES_MOLWT( 167 ) / 'HC5OO ', 149.10D0 /\n DATA CHEMISTRY_SPC( 168 ), SPECIES_MOLWT( 168 ) / 'DHMOB ', 132.10D0 /\n DATA CHEMISTRY_SPC( 169 ), SPECIES_MOLWT( 169 ) / 'ISOPNOOD ', 196.10D0 /\n DATA CHEMISTRY_SPC( 170 ), SPECIES_MOLWT( 170 ) / 'PROPNN ', 119.10D0 /\n DATA CHEMISTRY_SPC( 171 ), SPECIES_MOLWT( 171 ) / 'MVKN ', 149.10D0 /\n DATA CHEMISTRY_SPC( 172 ), SPECIES_MOLWT( 172 ) / 'ETHLN ', 105.00D0 /\n DATA CHEMISTRY_SPC( 173 ), SPECIES_MOLWT( 173 ) / 'RNO3I ', 147.18D0 /\n DATA CHEMISTRY_SPC( 174 ), SPECIES_MOLWT( 174 ) / 'ISOPNOOB ', 196.10D0 /\n DATA CHEMISTRY_SPC( 175 ), SPECIES_MOLWT( 175 ) / 'MACRN ', 149.10D0 /\n DATA CHEMISTRY_SPC( 176 ), SPECIES_MOLWT( 176 ) / 'NIT1NO3OOA ', 176.10D0 /\n DATA CHEMISTRY_SPC( 177 ), SPECIES_MOLWT( 177 ) / 'NIT1NO3OOB ', 239.10D0 /\n DATA CHEMISTRY_SPC( 178 ), SPECIES_MOLWT( 178 ) / 'ISOPNN ', 226.00D0 /\n DATA CHEMISTRY_SPC( 179 ), SPECIES_MOLWT( 179 ) / 'NIT1OHOO ', 194.12D0 /\n DATA CHEMISTRY_SPC( 180 ), SPECIES_MOLWT( 180 ) / 'MVKOO ', 119.10D0 /\n DATA CHEMISTRY_SPC( 181 ), SPECIES_MOLWT( 181 ) / 'MACROO ', 119.10D0 /\n DATA CHEMISTRY_SPC( 182 ), SPECIES_MOLWT( 182 ) / 'PYRUACD ', 88.10D0 /\n DATA CHEMISTRY_SPC( 183 ), SPECIES_MOLWT( 183 ) / 'IEPOX ', 118.13D0 /\n DATA CHEMISTRY_SPC( 184 ), SPECIES_MOLWT( 184 ) / 'IEPOXOO ', 149.12D0 /\n DATA CHEMISTRY_SPC( 185 ), SPECIES_MOLWT( 185 ) / 'IMPAA ', 102.08D0 /\n DATA CHEMISTRY_SPC( 186 ), SPECIES_MOLWT( 186 ) / 'IMAPAN ', 147.09D0 /\n DATA CHEMISTRY_SPC( 187 ), SPECIES_MOLWT( 187 ) / 'IMAE ', 102.00D0 /\n DATA CHEMISTRY_SPC( 188 ), SPECIES_MOLWT( 188 ) / 'IHMML ', 102.00D0 /\n DATA CHEMISTRY_SPC( 189 ), SPECIES_MOLWT( 189 ) / 'H2NO3PIJ ', 64.00D0 /\n DATA CHEMISTRY_SPC( 190 ), SPECIES_MOLWT( 190 ) / 'H2NO3PK ', 64.00D0 /\n DATA CHEMISTRY_SPC( 191 ), SPECIES_MOLWT( 191 ) / 'ACLI ', 35.50D0 /\n DATA CHEMISTRY_SPC( 192 ), SPECIES_MOLWT( 192 ) / 'ACLJ ', 35.50D0 /\n DATA CHEMISTRY_SPC( 193 ), SPECIES_MOLWT( 193 ) / 'ACLK ', 35.50D0 /\n DATA CHEMISTRY_SPC( 194 ), SPECIES_MOLWT( 194 ) / 'IEPOXP ', 118.13D0 /\n DATA CHEMISTRY_SPC( 195 ), SPECIES_MOLWT( 195 ) / 'IMAEP ', 102.00D0 /\n DATA CHEMISTRY_SPC( 196 ), SPECIES_MOLWT( 196 ) / 'IHMMLP ', 102.00D0 /\n DATA CHEMISTRY_SPC( 197 ), SPECIES_MOLWT( 197 ) / 'AIETETJ ', 136.15D0 /\n DATA CHEMISTRY_SPC( 198 ), SPECIES_MOLWT( 198 ) / 'ASO4J ', 96.00D0 /\n DATA CHEMISTRY_SPC( 199 ), SPECIES_MOLWT( 199 ) / 'AIEOSJ ', 216.20D0 /\n DATA CHEMISTRY_SPC( 200 ), SPECIES_MOLWT( 200 ) / 'ADIMJ ', 248.23D0 /\n DATA CHEMISTRY_SPC( 201 ), SPECIES_MOLWT( 201 ) / 'AIMGAJ ', 120.10D0 /\n DATA CHEMISTRY_SPC( 202 ), SPECIES_MOLWT( 202 ) / 'AIMOSJ ', 200.16D0 /\n DATA CHEMISTRY_SPC( 203 ), SPECIES_MOLWT( 203 ) / 'AISO1J ', 132.00D0 /\n DATA CHEMISTRY_SPC( 204 ), SPECIES_MOLWT( 204 ) / 'AOLGBJ ', 248.00D0 /\n DATA CHEMISTRY_SPC( 205 ), SPECIES_MOLWT( 205 ) / 'AISO2J ', 133.00D0 /\n DATA CHEMISTRY_SPC( 206 ), SPECIES_MOLWT( 206 ) / 'ASQTJ ', 273.00D0 /\n DATA CHEMISTRY_SPC( 207 ), SPECIES_MOLWT( 207 ) / 'AAVB2J ', 179.00D0 /\n DATA CHEMISTRY_SPC( 208 ), SPECIES_MOLWT( 208 ) / 'AOLGAJ ', 206.00D0 /\n DATA CHEMISTRY_SPC( 209 ), SPECIES_MOLWT( 209 ) / 'AAVB3J ', 169.00D0 /\n DATA CHEMISTRY_SPC( 210 ), SPECIES_MOLWT( 210 ) / 'AAVB4J ', 158.00D0 /\n DATA CHEMISTRY_SPC( 211 ), SPECIES_MOLWT( 211 ) / 'APOCI ', 220.00D0 /\n DATA CHEMISTRY_SPC( 212 ), SPECIES_MOLWT( 212 ) / 'APNCOMI ', 220.00D0 /\n DATA CHEMISTRY_SPC( 213 ), SPECIES_MOLWT( 213 ) / 'APOCJ ', 220.00D0 /\n DATA CHEMISTRY_SPC( 214 ), SPECIES_MOLWT( 214 ) / 'APNCOMJ ', 220.00D0 /\n DATA CHEMISTRY_SPC( 215 ), SPECIES_MOLWT( 215 ) / 'PCVOC ', 170.00D0 /\n DATA CHEMISTRY_SPC( 216 ), SPECIES_MOLWT( 216 ) / 'PCSOARXN ', 170.00D0 /\n DATA CHEMISTRY_SPC( 217 ), SPECIES_MOLWT( 217 ) / 'VLVPO1 ', 218.00D0 /\n DATA CHEMISTRY_SPC( 218 ), SPECIES_MOLWT( 218 ) / 'VSVPO1 ', 230.00D0 /\n DATA CHEMISTRY_SPC( 219 ), SPECIES_MOLWT( 219 ) / 'VSVPO2 ', 241.00D0 /\n DATA CHEMISTRY_SPC( 220 ), SPECIES_MOLWT( 220 ) / 'VSVPO3 ', 253.00D0 /\n DATA CHEMISTRY_SPC( 221 ), SPECIES_MOLWT( 221 ) / 'VIVPO1 ', 266.00D0 /\n DATA CHEMISTRY_SPC( 222 ), SPECIES_MOLWT( 222 ) / 'VLVOO1 ', 136.00D0 /\n DATA CHEMISTRY_SPC( 223 ), SPECIES_MOLWT( 223 ) / 'VLVOO2 ', 136.00D0 /\n DATA CHEMISTRY_SPC( 224 ), SPECIES_MOLWT( 224 ) / 'VSVOO2 ', 135.00D0 /\n DATA CHEMISTRY_SPC( 225 ), SPECIES_MOLWT( 225 ) / 'VSVOO3 ', 134.00D0 /\n DATA CHEMISTRY_SPC( 226 ), SPECIES_MOLWT( 226 ) / 'VSVOO1 ', 135.00D0 /\n DATA CHEMISTRY_SPC( 227 ), SPECIES_MOLWT( 227 ) / 'AMTNO3J ', 231.00D0 /\n DATA CHEMISTRY_SPC( 228 ), SPECIES_MOLWT( 228 ) / 'AMTHYDJ ', 186.00D0 /\n DATA CHEMISTRY_SPC( 229 ), SPECIES_MOLWT( 229 ) / 'AISOPNNJ ', 226.00D0 /\n DATA CHEMISTRY_SPC( 230 ), SPECIES_MOLWT( 230 ) / 'AGLYJ ', 66.40D0 /\n\n\n DATA CGRID_INDEX( 1 ), SPECIES_TYPE( 1 ), CONVERT_CONC( 1 ) / 1, 'GC', F / ! NO2\n DATA CGRID_INDEX( 2 ), SPECIES_TYPE( 2 ), CONVERT_CONC( 2 ) / 2, 'GC', F / ! NO\n DATA CGRID_INDEX( 3 ), SPECIES_TYPE( 3 ), CONVERT_CONC( 3 ) / 3, 'GC', F / ! O3P\n DATA CGRID_INDEX( 4 ), SPECIES_TYPE( 4 ), CONVERT_CONC( 4 ) / 4, 'GC', F / ! O3\n DATA CGRID_INDEX( 5 ), SPECIES_TYPE( 5 ), CONVERT_CONC( 5 ) / 5, 'GC', F / ! NO3\n DATA CGRID_INDEX( 6 ), SPECIES_TYPE( 6 ), CONVERT_CONC( 6 ) / 6, 'GC', F / ! N2O5\n DATA CGRID_INDEX( 7 ), SPECIES_TYPE( 7 ), CONVERT_CONC( 7 ) / 7, 'GC', F / ! HNO3\n DATA CGRID_INDEX( 8 ), SPECIES_TYPE( 8 ), CONVERT_CONC( 8 ) / 8, 'GC', F / ! O1D\n DATA CGRID_INDEX( 9 ), SPECIES_TYPE( 9 ), CONVERT_CONC( 9 ) / 9, 'GC', F / ! OH\n DATA CGRID_INDEX( 10 ), SPECIES_TYPE( 10 ), CONVERT_CONC( 10 ) / 10, 'GC', F / ! HONO\n DATA CGRID_INDEX( 11 ), SPECIES_TYPE( 11 ), CONVERT_CONC( 11 ) / 11, 'GC', F / ! HO2\n DATA CGRID_INDEX( 12 ), SPECIES_TYPE( 12 ), CONVERT_CONC( 12 ) / 12, 'GC', F / ! CO\n DATA CGRID_INDEX( 13 ), SPECIES_TYPE( 13 ), CONVERT_CONC( 13 ) / 13, 'GC', F / ! CO2\n DATA CGRID_INDEX( 14 ), SPECIES_TYPE( 14 ), CONVERT_CONC( 14 ) / 14, 'GC', F / ! HNO4\n DATA CGRID_INDEX( 15 ), SPECIES_TYPE( 15 ), CONVERT_CONC( 15 ) / 15, 'GC', F / ! HO2H\n DATA CGRID_INDEX( 16 ), SPECIES_TYPE( 16 ), CONVERT_CONC( 16 ) / 16, 'GC', F / ! SO2\n DATA CGRID_INDEX( 17 ), SPECIES_TYPE( 17 ), CONVERT_CONC( 17 ) / 17, 'GC', F / ! SULF\n DATA CGRID_INDEX( 18 ), SPECIES_TYPE( 18 ), CONVERT_CONC( 18 ) / 18, 'GC', F / ! SULRXN\n DATA CGRID_INDEX( 19 ), SPECIES_TYPE( 19 ), CONVERT_CONC( 19 ) / 19, 'GC', F / ! MEO2\n DATA CGRID_INDEX( 20 ), SPECIES_TYPE( 20 ), CONVERT_CONC( 20 ) / 20, 'GC', F / ! HCHO\n DATA CGRID_INDEX( 21 ), SPECIES_TYPE( 21 ), CONVERT_CONC( 21 ) / 21, 'GC', F / ! COOH\n DATA CGRID_INDEX( 22 ), SPECIES_TYPE( 22 ), CONVERT_CONC( 22 ) / 22, 'GC', F / ! MEOH\n DATA CGRID_INDEX( 23 ), SPECIES_TYPE( 23 ), CONVERT_CONC( 23 ) / 23, 'GC', F / ! RO2C\n DATA CGRID_INDEX( 24 ), SPECIES_TYPE( 24 ), CONVERT_CONC( 24 ) / 24, 'GC', F / ! RO2XC\n DATA CGRID_INDEX( 25 ), SPECIES_TYPE( 25 ), CONVERT_CONC( 25 ) / 25, 'GC', F / ! MECO3\n DATA CGRID_INDEX( 26 ), SPECIES_TYPE( 26 ), CONVERT_CONC( 26 ) / 26, 'GC', F / ! PAN\n DATA CGRID_INDEX( 27 ), SPECIES_TYPE( 27 ), CONVERT_CONC( 27 ) / 27, 'GC', F / ! CCOOOH\n DATA CGRID_INDEX( 28 ), SPECIES_TYPE( 28 ), CONVERT_CONC( 28 ) / 28, 'GC', F / ! CCOOH\n DATA CGRID_INDEX( 29 ), SPECIES_TYPE( 29 ), CONVERT_CONC( 29 ) / 29, 'GC', F / ! RCO3\n DATA CGRID_INDEX( 30 ), SPECIES_TYPE( 30 ), CONVERT_CONC( 30 ) / 30, 'GC', F / ! PAN2\n DATA CGRID_INDEX( 31 ), SPECIES_TYPE( 31 ), CONVERT_CONC( 31 ) / 31, 'GC', F / ! xHO2\n DATA CGRID_INDEX( 32 ), SPECIES_TYPE( 32 ), CONVERT_CONC( 32 ) / 32, 'GC', F / ! yROOH\n DATA CGRID_INDEX( 33 ), SPECIES_TYPE( 33 ), CONVERT_CONC( 33 ) / 33, 'GC', F / ! xCCHO\n DATA CGRID_INDEX( 34 ), SPECIES_TYPE( 34 ), CONVERT_CONC( 34 ) / 34, 'GC', F / ! RCOOOH\n DATA CGRID_INDEX( 35 ), SPECIES_TYPE( 35 ), CONVERT_CONC( 35 ) / 35, 'GC', F / ! RCOOH\n DATA CGRID_INDEX( 36 ), SPECIES_TYPE( 36 ), CONVERT_CONC( 36 ) / 36, 'GC', F / ! BZCO3\n DATA CGRID_INDEX( 37 ), SPECIES_TYPE( 37 ), CONVERT_CONC( 37 ) / 37, 'GC', F / ! PBZN\n DATA CGRID_INDEX( 38 ), SPECIES_TYPE( 38 ), CONVERT_CONC( 38 ) / 38, 'GC', F / ! BZO\n DATA CGRID_INDEX( 39 ), SPECIES_TYPE( 39 ), CONVERT_CONC( 39 ) / 39, 'GC', F / ! MACO3\n DATA CGRID_INDEX( 40 ), SPECIES_TYPE( 40 ), CONVERT_CONC( 40 ) / 40, 'GC', F / ! MAPAN\n DATA CGRID_INDEX( 41 ), SPECIES_TYPE( 41 ), CONVERT_CONC( 41 ) / 41, 'GC', F / ! TBUO\n DATA CGRID_INDEX( 42 ), SPECIES_TYPE( 42 ), CONVERT_CONC( 42 ) / 42, 'GC', F / ! RNO3\n DATA CGRID_INDEX( 43 ), SPECIES_TYPE( 43 ), CONVERT_CONC( 43 ) / 44, 'GC', F / ! ACETONE\n DATA CGRID_INDEX( 44 ), SPECIES_TYPE( 44 ), CONVERT_CONC( 44 ) / 45, 'GC', F / ! NPHE\n DATA CGRID_INDEX( 45 ), SPECIES_TYPE( 45 ), CONVERT_CONC( 45 ) / 46, 'GC', F / ! CRES\n DATA CGRID_INDEX( 46 ), SPECIES_TYPE( 46 ), CONVERT_CONC( 46 ) / 47, 'GC', F / ! xOH\n DATA CGRID_INDEX( 47 ), SPECIES_TYPE( 47 ), CONVERT_CONC( 47 ) / 48, 'GC', F / ! xNO2\n DATA CGRID_INDEX( 48 ), SPECIES_TYPE( 48 ), CONVERT_CONC( 48 ) / 49, 'GC', F / ! xMEO2\n DATA CGRID_INDEX( 49 ), SPECIES_TYPE( 49 ), CONVERT_CONC( 49 ) / 50, 'GC', F / ! xMECO3\n DATA CGRID_INDEX( 50 ), SPECIES_TYPE( 50 ), CONVERT_CONC( 50 ) / 51, 'GC', F / ! xRCO3\n DATA CGRID_INDEX( 51 ), SPECIES_TYPE( 51 ), CONVERT_CONC( 51 ) / 52, 'GC', F / ! xMACO3\n DATA CGRID_INDEX( 52 ), SPECIES_TYPE( 52 ), CONVERT_CONC( 52 ) / 53, 'GC', F / ! xTBUO\n DATA CGRID_INDEX( 53 ), SPECIES_TYPE( 53 ), CONVERT_CONC( 53 ) / 54, 'GC', F / ! xCO\n DATA CGRID_INDEX( 54 ), SPECIES_TYPE( 54 ), CONVERT_CONC( 54 ) / 55, 'GC', F / ! CCHO\n DATA CGRID_INDEX( 55 ), SPECIES_TYPE( 55 ), CONVERT_CONC( 55 ) / 56, 'GC', F / ! RCHO\n DATA CGRID_INDEX( 56 ), SPECIES_TYPE( 56 ), CONVERT_CONC( 56 ) / 57, 'GC', F / ! xHCHO\n DATA CGRID_INDEX( 57 ), SPECIES_TYPE( 57 ), CONVERT_CONC( 57 ) / 58, 'GC', F / ! MEK\n DATA CGRID_INDEX( 58 ), SPECIES_TYPE( 58 ), CONVERT_CONC( 58 ) / 59, 'GC', F / ! zRNO3\n DATA CGRID_INDEX( 59 ), SPECIES_TYPE( 59 ), CONVERT_CONC( 59 ) / 60, 'GC', F / ! xRCHO\n DATA CGRID_INDEX( 60 ), SPECIES_TYPE( 60 ), CONVERT_CONC( 60 ) / 61, 'GC', F / ! HCOOH\n DATA CGRID_INDEX( 61 ), SPECIES_TYPE( 61 ), CONVERT_CONC( 61 ) / 62, 'GC', F / ! xMGLY\n DATA CGRID_INDEX( 62 ), SPECIES_TYPE( 62 ), CONVERT_CONC( 62 ) / 63, 'GC', F / ! xBACL\n DATA CGRID_INDEX( 63 ), SPECIES_TYPE( 63 ), CONVERT_CONC( 63 ) / 64, 'GC', F / ! ROOH\n DATA CGRID_INDEX( 64 ), SPECIES_TYPE( 64 ), CONVERT_CONC( 64 ) / 65, 'GC', F / ! xPROD2\n DATA CGRID_INDEX( 65 ), SPECIES_TYPE( 65 ), CONVERT_CONC( 65 ) / 66, 'GC', F / ! R6OOH\n DATA CGRID_INDEX( 66 ), SPECIES_TYPE( 66 ), CONVERT_CONC( 66 ) / 67, 'GC', F / ! PRD2\n DATA CGRID_INDEX( 67 ), SPECIES_TYPE( 67 ), CONVERT_CONC( 67 ) / 68, 'GC', F / ! yR6OOH\n DATA CGRID_INDEX( 68 ), SPECIES_TYPE( 68 ), CONVERT_CONC( 68 ) / 71, 'GC', F / ! RAOOH\n DATA CGRID_INDEX( 69 ), SPECIES_TYPE( 69 ), CONVERT_CONC( 69 ) / 72, 'GC', F / ! MGLY\n DATA CGRID_INDEX( 70 ), SPECIES_TYPE( 70 ), CONVERT_CONC( 70 ) / 73, 'GC', F / ! IPRD\n DATA CGRID_INDEX( 71 ), SPECIES_TYPE( 71 ), CONVERT_CONC( 71 ) / 74, 'GC', F / ! xGLY\n DATA CGRID_INDEX( 72 ), SPECIES_TYPE( 72 ), CONVERT_CONC( 72 ) / 75, 'GC', F / ! xMEK\n DATA CGRID_INDEX( 73 ), SPECIES_TYPE( 73 ), CONVERT_CONC( 73 ) / 76, 'GC', F / ! xAFG1\n DATA CGRID_INDEX( 74 ), SPECIES_TYPE( 74 ), CONVERT_CONC( 74 ) / 77, 'GC', F / ! xAFG2\n DATA CGRID_INDEX( 75 ), SPECIES_TYPE( 75 ), CONVERT_CONC( 75 ) / 78, 'GC', F / ! GLY\n DATA CGRID_INDEX( 76 ), SPECIES_TYPE( 76 ), CONVERT_CONC( 76 ) / 79, 'GC', F / ! AFG1\n DATA CGRID_INDEX( 77 ), SPECIES_TYPE( 77 ), CONVERT_CONC( 77 ) / 80, 'GC', F / ! AFG2\n DATA CGRID_INDEX( 78 ), SPECIES_TYPE( 78 ), CONVERT_CONC( 78 ) / 81, 'GC', F / ! HCOCO3\n DATA CGRID_INDEX( 79 ), SPECIES_TYPE( 79 ), CONVERT_CONC( 79 ) / 82, 'GC', F / ! BACL\n DATA CGRID_INDEX( 80 ), SPECIES_TYPE( 80 ), CONVERT_CONC( 80 ) / 83, 'GC', F / ! BALD\n DATA CGRID_INDEX( 81 ), SPECIES_TYPE( 81 ), CONVERT_CONC( 81 ) / 84, 'GC', F / ! AFG3\n DATA CGRID_INDEX( 82 ), SPECIES_TYPE( 82 ), CONVERT_CONC( 82 ) / 85, 'GC', F / ! xIPRD\n DATA CGRID_INDEX( 83 ), SPECIES_TYPE( 83 ), CONVERT_CONC( 83 ) / 86, 'GC', F / ! MACR\n DATA CGRID_INDEX( 84 ), SPECIES_TYPE( 84 ), CONVERT_CONC( 84 ) / 87, 'GC', F / ! MVK\n DATA CGRID_INDEX( 85 ), SPECIES_TYPE( 85 ), CONVERT_CONC( 85 ) / 88, 'GC', F / ! xHOCCHO\n DATA CGRID_INDEX( 86 ), SPECIES_TYPE( 86 ), CONVERT_CONC( 86 ) / 89, 'GC', F / ! xRNO3\n DATA CGRID_INDEX( 87 ), SPECIES_TYPE( 87 ), CONVERT_CONC( 87 ) / 90, 'GC', F / ! HOCCHO\n DATA CGRID_INDEX( 88 ), SPECIES_TYPE( 88 ), CONVERT_CONC( 88 ) / 91, 'GC', F / ! xACETONE\n DATA CGRID_INDEX( 89 ), SPECIES_TYPE( 89 ), CONVERT_CONC( 89 ) / 92, 'GC', F / ! ACROLEIN\n DATA CGRID_INDEX( 90 ), SPECIES_TYPE( 90 ), CONVERT_CONC( 90 ) / 93, 'GC', F / ! xBALD\n DATA CGRID_INDEX( 91 ), SPECIES_TYPE( 91 ), CONVERT_CONC( 91 ) / 94, 'GC', F / ! xAFG3\n DATA CGRID_INDEX( 92 ), SPECIES_TYPE( 92 ), CONVERT_CONC( 92 ) / 95, 'GC', F / ! xMACR\n DATA CGRID_INDEX( 93 ), SPECIES_TYPE( 93 ), CONVERT_CONC( 93 ) / 96, 'GC', F / ! xMVK\n DATA CGRID_INDEX( 94 ), SPECIES_TYPE( 94 ), CONVERT_CONC( 94 ) / 70, 'GC', F / ! xMTNO3\n DATA CGRID_INDEX( 95 ), SPECIES_TYPE( 95 ), CONVERT_CONC( 95 ) / 43, 'GC', F / ! MTNO3\n DATA CGRID_INDEX( 96 ), SPECIES_TYPE( 96 ), CONVERT_CONC( 96 ) / 180, 'GC', F / ! IMACO3\n DATA CGRID_INDEX( 97 ), SPECIES_TYPE( 97 ), CONVERT_CONC( 97 ) / 97, 'GC', F / ! yRAOOH\n DATA CGRID_INDEX( 98 ), SPECIES_TYPE( 98 ), CONVERT_CONC( 98 ) / 69, 'GC', F / ! zMTNO3\n DATA CGRID_INDEX( 99 ), SPECIES_TYPE( 99 ), CONVERT_CONC( 99 ) / 98, 'GC', F / ! xACROLEIN\n DATA CGRID_INDEX( 100 ), SPECIES_TYPE( 100 ), CONVERT_CONC( 100 ) / 99, 'GC', F / ! ETHENE\n DATA CGRID_INDEX( 101 ), SPECIES_TYPE( 101 ), CONVERT_CONC( 101 ) / 100, 'GC', F / ! PROPENE\n DATA CGRID_INDEX( 102 ), SPECIES_TYPE( 102 ), CONVERT_CONC( 102 ) / 101, 'GC', F / ! BUTADIENE13\n DATA CGRID_INDEX( 103 ), SPECIES_TYPE( 103 ), CONVERT_CONC( 103 ) / 102, 'GC', F / ! ISOPRENE\n DATA CGRID_INDEX( 104 ), SPECIES_TYPE( 104 ), CONVERT_CONC( 104 ) / 103, 'GC', F / ! APIN\n DATA CGRID_INDEX( 105 ), SPECIES_TYPE( 105 ), CONVERT_CONC( 105 ) / 104, 'GC', F / ! TRPRXN\n DATA CGRID_INDEX( 106 ), SPECIES_TYPE( 106 ), CONVERT_CONC( 106 ) / 105, 'GC', F / ! ACETYLENE\n DATA CGRID_INDEX( 107 ), SPECIES_TYPE( 107 ), CONVERT_CONC( 107 ) / 106, 'GC', F / ! BENZENE\n DATA CGRID_INDEX( 108 ), SPECIES_TYPE( 108 ), CONVERT_CONC( 108 ) / 107, 'GC', F / ! BENZRO2\n DATA CGRID_INDEX( 109 ), SPECIES_TYPE( 109 ), CONVERT_CONC( 109 ) / 108, 'GC', F / ! TOLUENE\n DATA CGRID_INDEX( 110 ), SPECIES_TYPE( 110 ), CONVERT_CONC( 110 ) / 109, 'GC', F / ! TOLRO2\n DATA CGRID_INDEX( 111 ), SPECIES_TYPE( 111 ), CONVERT_CONC( 111 ) / 110, 'GC', F / ! MXYL\n DATA CGRID_INDEX( 112 ), SPECIES_TYPE( 112 ), CONVERT_CONC( 112 ) / 111, 'GC', F / ! XYLRO2\n DATA CGRID_INDEX( 113 ), SPECIES_TYPE( 113 ), CONVERT_CONC( 113 ) / 112, 'GC', F / ! OXYL\n DATA CGRID_INDEX( 114 ), SPECIES_TYPE( 114 ), CONVERT_CONC( 114 ) / 113, 'GC', F / ! PXYL\n DATA CGRID_INDEX( 115 ), SPECIES_TYPE( 115 ), CONVERT_CONC( 115 ) / 114, 'GC', F / ! TMBENZ124\n DATA CGRID_INDEX( 116 ), SPECIES_TYPE( 116 ), CONVERT_CONC( 116 ) / 115, 'GC', F / ! ETOH\n DATA CGRID_INDEX( 117 ), SPECIES_TYPE( 117 ), CONVERT_CONC( 117 ) / 116, 'GC', F / ! ALK1\n DATA CGRID_INDEX( 118 ), SPECIES_TYPE( 118 ), CONVERT_CONC( 118 ) / 117, 'GC', F / ! ALK2\n DATA CGRID_INDEX( 119 ), SPECIES_TYPE( 119 ), CONVERT_CONC( 119 ) / 118, 'GC', F / ! ALK3\n DATA CGRID_INDEX( 120 ), SPECIES_TYPE( 120 ), CONVERT_CONC( 120 ) / 119, 'GC', F / ! ALK4\n DATA CGRID_INDEX( 121 ), SPECIES_TYPE( 121 ), CONVERT_CONC( 121 ) / 120, 'GC', F / ! ALK5\n DATA CGRID_INDEX( 122 ), SPECIES_TYPE( 122 ), CONVERT_CONC( 122 ) / 121, 'GC', F / ! SOAALK\n DATA CGRID_INDEX( 123 ), SPECIES_TYPE( 123 ), CONVERT_CONC( 123 ) / 203, 'GC', F / ! SVAVB2\n DATA CGRID_INDEX( 124 ), SPECIES_TYPE( 124 ), CONVERT_CONC( 124 ) / 204, 'GC', F / ! SVAVB3\n DATA CGRID_INDEX( 125 ), SPECIES_TYPE( 125 ), CONVERT_CONC( 125 ) / 205, 'GC', F / ! SVAVB4\n DATA CGRID_INDEX( 126 ), SPECIES_TYPE( 126 ), CONVERT_CONC( 126 ) / 122, 'GC', F / ! OLE1\n DATA CGRID_INDEX( 127 ), SPECIES_TYPE( 127 ), CONVERT_CONC( 127 ) / 123, 'GC', F / ! OLE2\n DATA CGRID_INDEX( 128 ), SPECIES_TYPE( 128 ), CONVERT_CONC( 128 ) / 124, 'GC', F / ! ARO1\n DATA CGRID_INDEX( 129 ), SPECIES_TYPE( 129 ), CONVERT_CONC( 129 ) / 125, 'GC', F / ! ARO2MN\n DATA CGRID_INDEX( 130 ), SPECIES_TYPE( 130 ), CONVERT_CONC( 130 ) / 126, 'GC', F / ! NAPHTHAL\n DATA CGRID_INDEX( 131 ), SPECIES_TYPE( 131 ), CONVERT_CONC( 131 ) / 127, 'GC', F / ! PAHRO2\n DATA CGRID_INDEX( 132 ), SPECIES_TYPE( 132 ), CONVERT_CONC( 132 ) / 128, 'GC', F / ! TERP\n DATA CGRID_INDEX( 133 ), SPECIES_TYPE( 133 ), CONVERT_CONC( 133 ) / 129, 'GC', F / ! TERPNRO2\n DATA CGRID_INDEX( 134 ), SPECIES_TYPE( 134 ), CONVERT_CONC( 134 ) / 130, 'GC', F / ! SESQ\n DATA CGRID_INDEX( 135 ), SPECIES_TYPE( 135 ), CONVERT_CONC( 135 ) / 131, 'GC', F / ! SESQRXN\n DATA CGRID_INDEX( 136 ), SPECIES_TYPE( 136 ), CONVERT_CONC( 136 ) / 132, 'GC', F / ! CL2\n DATA CGRID_INDEX( 137 ), SPECIES_TYPE( 137 ), CONVERT_CONC( 137 ) / 133, 'GC', F / ! CL\n DATA CGRID_INDEX( 138 ), SPECIES_TYPE( 138 ), CONVERT_CONC( 138 ) / 134, 'GC', F / ! CLNO\n DATA CGRID_INDEX( 139 ), SPECIES_TYPE( 139 ), CONVERT_CONC( 139 ) / 135, 'GC', F / ! CLONO\n DATA CGRID_INDEX( 140 ), SPECIES_TYPE( 140 ), CONVERT_CONC( 140 ) / 136, 'GC', F / ! CLNO2\n DATA CGRID_INDEX( 141 ), SPECIES_TYPE( 141 ), CONVERT_CONC( 141 ) / 137, 'GC', F / ! HCL\n DATA CGRID_INDEX( 142 ), SPECIES_TYPE( 142 ), CONVERT_CONC( 142 ) / 138, 'GC', F / ! CLO\n DATA CGRID_INDEX( 143 ), SPECIES_TYPE( 143 ), CONVERT_CONC( 143 ) / 139, 'GC', F / ! CLONO2\n DATA CGRID_INDEX( 144 ), SPECIES_TYPE( 144 ), CONVERT_CONC( 144 ) / 140, 'GC', F / ! HOCL\n DATA CGRID_INDEX( 145 ), SPECIES_TYPE( 145 ), CONVERT_CONC( 145 ) / 141, 'GC', F / ! xCL\n DATA CGRID_INDEX( 146 ), SPECIES_TYPE( 146 ), CONVERT_CONC( 146 ) / 142, 'GC', F / ! xCLCCHO\n DATA CGRID_INDEX( 147 ), SPECIES_TYPE( 147 ), CONVERT_CONC( 147 ) / 143, 'GC', F / ! xCLACET\n DATA CGRID_INDEX( 148 ), SPECIES_TYPE( 148 ), CONVERT_CONC( 148 ) / 144, 'GC', F / ! CLCCHO\n DATA CGRID_INDEX( 149 ), SPECIES_TYPE( 149 ), CONVERT_CONC( 149 ) / 145, 'GC', F / ! CLACET\n DATA CGRID_INDEX( 150 ), SPECIES_TYPE( 150 ), CONVERT_CONC( 150 ) / 146, 'GC', F / ! CLCHO\n DATA CGRID_INDEX( 151 ), SPECIES_TYPE( 151 ), CONVERT_CONC( 151 ) / 202, 'GC', F / ! SVAVB1\n DATA CGRID_INDEX( 152 ), SPECIES_TYPE( 152 ), CONVERT_CONC( 152 ) / 147, 'GC', F / ! HCHO_PRIMARY\n DATA CGRID_INDEX( 153 ), SPECIES_TYPE( 153 ), CONVERT_CONC( 153 ) / 148, 'GC', F / ! CCHO_PRIMARY\n DATA CGRID_INDEX( 154 ), SPECIES_TYPE( 154 ), CONVERT_CONC( 154 ) / 149, 'GC', F / ! ACRO_PRIMARY\n DATA CGRID_INDEX( 155 ), SPECIES_TYPE( 155 ), CONVERT_CONC( 155 ) / 150, 'GC', F / ! ISOPO2\n DATA CGRID_INDEX( 156 ), SPECIES_TYPE( 156 ), CONVERT_CONC( 156 ) / 151, 'GC', F / ! ISOPRXN\n DATA CGRID_INDEX( 157 ), SPECIES_TYPE( 157 ), CONVERT_CONC( 157 ) / 152, 'GC', F / ! ISOPND\n DATA CGRID_INDEX( 158 ), SPECIES_TYPE( 158 ), CONVERT_CONC( 158 ) / 153, 'GC', F / ! ISOPNB\n DATA CGRID_INDEX( 159 ), SPECIES_TYPE( 159 ), CONVERT_CONC( 159 ) / 154, 'GC', F / ! HC5\n DATA CGRID_INDEX( 160 ), SPECIES_TYPE( 160 ), CONVERT_CONC( 160 ) / 155, 'GC', F / ! DIBOO\n DATA CGRID_INDEX( 161 ), SPECIES_TYPE( 161 ), CONVERT_CONC( 161 ) / 156, 'GC', F / ! ISOPOOH\n DATA CGRID_INDEX( 162 ), SPECIES_TYPE( 162 ), CONVERT_CONC( 162 ) / 157, 'GC', F / ! HPALD\n DATA CGRID_INDEX( 163 ), SPECIES_TYPE( 163 ), CONVERT_CONC( 163 ) / 158, 'GC', F / ! HACET\n DATA CGRID_INDEX( 164 ), SPECIES_TYPE( 164 ), CONVERT_CONC( 164 ) / 159, 'GC', F / ! NISOPO2\n DATA CGRID_INDEX( 165 ), SPECIES_TYPE( 165 ), CONVERT_CONC( 165 ) / 160, 'GC', F / ! NIT1\n DATA CGRID_INDEX( 166 ), SPECIES_TYPE( 166 ), CONVERT_CONC( 166 ) / 161, 'GC', F / ! NISOPOOH\n DATA CGRID_INDEX( 167 ), SPECIES_TYPE( 167 ), CONVERT_CONC( 167 ) / 162, 'GC', F / ! HC5OO\n DATA CGRID_INDEX( 168 ), SPECIES_TYPE( 168 ), CONVERT_CONC( 168 ) / 163, 'GC', F / ! DHMOB\n DATA CGRID_INDEX( 169 ), SPECIES_TYPE( 169 ), CONVERT_CONC( 169 ) / 164, 'GC', F / ! ISOPNOOD\n DATA CGRID_INDEX( 170 ), SPECIES_TYPE( 170 ), CONVERT_CONC( 170 ) / 165, 'GC', F / ! PROPNN\n DATA CGRID_INDEX( 171 ), SPECIES_TYPE( 171 ), CONVERT_CONC( 171 ) / 166, 'GC', F / ! MVKN\n DATA CGRID_INDEX( 172 ), SPECIES_TYPE( 172 ), CONVERT_CONC( 172 ) / 167, 'GC', F / ! ETHLN\n DATA CGRID_INDEX( 173 ), SPECIES_TYPE( 173 ), CONVERT_CONC( 173 ) / 168, 'GC', F / ! RNO3I\n DATA CGRID_INDEX( 174 ), SPECIES_TYPE( 174 ), CONVERT_CONC( 174 ) / 169, 'GC', F / ! ISOPNOOB\n DATA CGRID_INDEX( 175 ), SPECIES_TYPE( 175 ), CONVERT_CONC( 175 ) / 170, 'GC', F / ! MACRN\n DATA CGRID_INDEX( 176 ), SPECIES_TYPE( 176 ), CONVERT_CONC( 176 ) / 171, 'GC', F / ! NIT1NO3OOA\n DATA CGRID_INDEX( 177 ), SPECIES_TYPE( 177 ), CONVERT_CONC( 177 ) / 172, 'GC', F / ! NIT1NO3OOB\n DATA CGRID_INDEX( 178 ), SPECIES_TYPE( 178 ), CONVERT_CONC( 178 ) / 173, 'GC', F / ! ISOPNN\n DATA CGRID_INDEX( 179 ), SPECIES_TYPE( 179 ), CONVERT_CONC( 179 ) / 174, 'GC', F / ! NIT1OHOO\n DATA CGRID_INDEX( 180 ), SPECIES_TYPE( 180 ), CONVERT_CONC( 180 ) / 175, 'GC', F / ! MVKOO\n DATA CGRID_INDEX( 181 ), SPECIES_TYPE( 181 ), CONVERT_CONC( 181 ) / 176, 'GC', F / ! MACROO\n DATA CGRID_INDEX( 182 ), SPECIES_TYPE( 182 ), CONVERT_CONC( 182 ) / 177, 'GC', F / ! PYRUACD\n DATA CGRID_INDEX( 183 ), SPECIES_TYPE( 183 ), CONVERT_CONC( 183 ) / 178, 'GC', F / ! IEPOX\n DATA CGRID_INDEX( 184 ), SPECIES_TYPE( 184 ), CONVERT_CONC( 184 ) / 179, 'GC', F / ! IEPOXOO\n DATA CGRID_INDEX( 185 ), SPECIES_TYPE( 185 ), CONVERT_CONC( 185 ) / 181, 'GC', F / ! IMPAA\n DATA CGRID_INDEX( 186 ), SPECIES_TYPE( 186 ), CONVERT_CONC( 186 ) / 182, 'GC', F / ! IMAPAN\n DATA CGRID_INDEX( 187 ), SPECIES_TYPE( 187 ), CONVERT_CONC( 187 ) / 183, 'GC', F / ! IMAE\n DATA CGRID_INDEX( 188 ), SPECIES_TYPE( 188 ), CONVERT_CONC( 188 ) / 184, 'GC', F / ! IHMML\n DATA CGRID_INDEX( 189 ), SPECIES_TYPE( 189 ), CONVERT_CONC( 189 ) / 185, 'GC', F / ! H2NO3PIJ\n DATA CGRID_INDEX( 190 ), SPECIES_TYPE( 190 ), CONVERT_CONC( 190 ) / 186, 'GC', F / ! H2NO3PK\n DATA CGRID_INDEX( 191 ), SPECIES_TYPE( 191 ), CONVERT_CONC( 191 ) / 218, 'AE', T / ! ACLI\n DATA CGRID_INDEX( 192 ), SPECIES_TYPE( 192 ), CONVERT_CONC( 192 ) / 219, 'AE', T / ! ACLJ\n DATA CGRID_INDEX( 193 ), SPECIES_TYPE( 193 ), CONVERT_CONC( 193 ) / 220, 'AE', T / ! ACLK\n DATA CGRID_INDEX( 194 ), SPECIES_TYPE( 194 ), CONVERT_CONC( 194 ) / 187, 'GC', F / ! IEPOXP\n DATA CGRID_INDEX( 195 ), SPECIES_TYPE( 195 ), CONVERT_CONC( 195 ) / 188, 'GC', F / ! IMAEP\n DATA CGRID_INDEX( 196 ), SPECIES_TYPE( 196 ), CONVERT_CONC( 196 ) / 189, 'GC', F / ! IHMMLP\n DATA CGRID_INDEX( 197 ), SPECIES_TYPE( 197 ), CONVERT_CONC( 197 ) / 260, 'AE', T / ! AIETETJ\n DATA CGRID_INDEX( 198 ), SPECIES_TYPE( 198 ), CONVERT_CONC( 198 ) / 208, 'AE', T / ! ASO4J\n DATA CGRID_INDEX( 199 ), SPECIES_TYPE( 199 ), CONVERT_CONC( 199 ) / 261, 'AE', T / ! AIEOSJ\n DATA CGRID_INDEX( 200 ), SPECIES_TYPE( 200 ), CONVERT_CONC( 200 ) / 262, 'AE', T / ! ADIMJ\n DATA CGRID_INDEX( 201 ), SPECIES_TYPE( 201 ), CONVERT_CONC( 201 ) / 263, 'AE', T / ! AIMGAJ\n DATA CGRID_INDEX( 202 ), SPECIES_TYPE( 202 ), CONVERT_CONC( 202 ) / 264, 'AE', T / ! AIMOSJ\n DATA CGRID_INDEX( 203 ), SPECIES_TYPE( 203 ), CONVERT_CONC( 203 ) / 221, 'AE', T / ! AISO1J\n DATA CGRID_INDEX( 204 ), SPECIES_TYPE( 204 ), CONVERT_CONC( 204 ) / 255, 'AE', T / ! AOLGBJ\n DATA CGRID_INDEX( 205 ), SPECIES_TYPE( 205 ), CONVERT_CONC( 205 ) / 222, 'AE', T / ! AISO2J\n DATA CGRID_INDEX( 206 ), SPECIES_TYPE( 206 ), CONVERT_CONC( 206 ) / 223, 'AE', T / ! ASQTJ\n DATA CGRID_INDEX( 207 ), SPECIES_TYPE( 207 ), CONVERT_CONC( 207 ) / 288, 'AE', T / ! AAVB2J\n DATA CGRID_INDEX( 208 ), SPECIES_TYPE( 208 ), CONVERT_CONC( 208 ) / 254, 'AE', T / ! AOLGAJ\n DATA CGRID_INDEX( 209 ), SPECIES_TYPE( 209 ), CONVERT_CONC( 209 ) / 289, 'AE', T / ! AAVB3J\n DATA CGRID_INDEX( 210 ), SPECIES_TYPE( 210 ), CONVERT_CONC( 210 ) / 290, 'AE', T / ! AAVB4J\n DATA CGRID_INDEX( 211 ), SPECIES_TYPE( 211 ), CONVERT_CONC( 211 ) / 265, 'AE', T / ! APOCI\n DATA CGRID_INDEX( 212 ), SPECIES_TYPE( 212 ), CONVERT_CONC( 212 ) / 267, 'AE', T / ! APNCOMI\n DATA CGRID_INDEX( 213 ), SPECIES_TYPE( 213 ), CONVERT_CONC( 213 ) / 266, 'AE', T / ! APOCJ\n DATA CGRID_INDEX( 214 ), SPECIES_TYPE( 214 ), CONVERT_CONC( 214 ) / 268, 'AE', T / ! APNCOMJ\n DATA CGRID_INDEX( 215 ), SPECIES_TYPE( 215 ), CONVERT_CONC( 215 ) / 200, 'GC', F / ! PCVOC\n DATA CGRID_INDEX( 216 ), SPECIES_TYPE( 216 ), CONVERT_CONC( 216 ) / 201, 'GC', F / ! PCSOARXN\n DATA CGRID_INDEX( 217 ), SPECIES_TYPE( 217 ), CONVERT_CONC( 217 ) / 190, 'GC', F / ! VLVPO1\n DATA CGRID_INDEX( 218 ), SPECIES_TYPE( 218 ), CONVERT_CONC( 218 ) / 191, 'GC', F / ! VSVPO1\n DATA CGRID_INDEX( 219 ), SPECIES_TYPE( 219 ), CONVERT_CONC( 219 ) / 192, 'GC', F / ! VSVPO2\n DATA CGRID_INDEX( 220 ), SPECIES_TYPE( 220 ), CONVERT_CONC( 220 ) / 193, 'GC', F / ! VSVPO3\n DATA CGRID_INDEX( 221 ), SPECIES_TYPE( 221 ), CONVERT_CONC( 221 ) / 194, 'GC', F / ! VIVPO1\n DATA CGRID_INDEX( 222 ), SPECIES_TYPE( 222 ), CONVERT_CONC( 222 ) / 195, 'GC', F / ! VLVOO1\n DATA CGRID_INDEX( 223 ), SPECIES_TYPE( 223 ), CONVERT_CONC( 223 ) / 196, 'GC', F / ! VLVOO2\n DATA CGRID_INDEX( 224 ), SPECIES_TYPE( 224 ), CONVERT_CONC( 224 ) / 198, 'GC', F / ! VSVOO2\n DATA CGRID_INDEX( 225 ), SPECIES_TYPE( 225 ), CONVERT_CONC( 225 ) / 199, 'GC', F / ! VSVOO3\n DATA CGRID_INDEX( 226 ), SPECIES_TYPE( 226 ), CONVERT_CONC( 226 ) / 197, 'GC', F / ! VSVOO1\n DATA CGRID_INDEX( 227 ), SPECIES_TYPE( 227 ), CONVERT_CONC( 227 ) / 257, 'AE', T / ! AMTNO3J\n DATA CGRID_INDEX( 228 ), SPECIES_TYPE( 228 ), CONVERT_CONC( 228 ) / 259, 'AE', T / ! AMTHYDJ\n DATA CGRID_INDEX( 229 ), SPECIES_TYPE( 229 ), CONVERT_CONC( 229 ) / 258, 'AE', T / ! AISOPNNJ\n DATA CGRID_INDEX( 230 ), SPECIES_TYPE( 230 ), CONVERT_CONC( 230 ) / 256, 'AE', T / ! AGLYJ\n\n! The below integers define the locations of mechanism species in the solver\n! concentration array.\n\n INTEGER :: INDEX_NO2 = 1\n INTEGER :: INDEX_NO = 2\n INTEGER :: INDEX_O3P = 3\n INTEGER :: INDEX_O3 = 4\n INTEGER :: INDEX_NO3 = 5\n INTEGER :: INDEX_N2O5 = 6\n INTEGER :: INDEX_HNO3 = 7\n INTEGER :: INDEX_O1D = 8\n INTEGER :: INDEX_OH = 9\n INTEGER :: INDEX_HONO = 10\n INTEGER :: INDEX_HO2 = 11\n INTEGER :: INDEX_CO = 12\n INTEGER :: INDEX_CO2 = 13\n INTEGER :: INDEX_HNO4 = 14\n INTEGER :: INDEX_HO2H = 15\n INTEGER :: INDEX_SO2 = 16\n INTEGER :: INDEX_SULF = 17\n INTEGER :: INDEX_SULRXN = 18\n INTEGER :: INDEX_MEO2 = 19\n INTEGER :: INDEX_HCHO = 20\n INTEGER :: INDEX_COOH = 21\n INTEGER :: INDEX_MEOH = 22\n INTEGER :: INDEX_RO2C = 23\n INTEGER :: INDEX_RO2XC = 24\n INTEGER :: INDEX_MECO3 = 25\n INTEGER :: INDEX_PAN = 26\n INTEGER :: INDEX_CCOOOH = 27\n INTEGER :: INDEX_CCOOH = 28\n INTEGER :: INDEX_RCO3 = 29\n INTEGER :: INDEX_PAN2 = 30\n INTEGER :: INDEX_xHO2 = 31\n INTEGER :: INDEX_yROOH = 32\n INTEGER :: INDEX_xCCHO = 33\n INTEGER :: INDEX_RCOOOH = 34\n INTEGER :: INDEX_RCOOH = 35\n INTEGER :: INDEX_BZCO3 = 36\n INTEGER :: INDEX_PBZN = 37\n INTEGER :: INDEX_BZO = 38\n INTEGER :: INDEX_MACO3 = 39\n INTEGER :: INDEX_MAPAN = 40\n INTEGER :: INDEX_TBUO = 41\n INTEGER :: INDEX_RNO3 = 42\n INTEGER :: INDEX_ACETONE = 43\n INTEGER :: INDEX_NPHE = 44\n INTEGER :: INDEX_CRES = 45\n INTEGER :: INDEX_xOH = 46\n INTEGER :: INDEX_xNO2 = 47\n INTEGER :: INDEX_xMEO2 = 48\n INTEGER :: INDEX_xMECO3 = 49\n INTEGER :: INDEX_xRCO3 = 50\n INTEGER :: INDEX_xMACO3 = 51\n INTEGER :: INDEX_xTBUO = 52\n INTEGER :: INDEX_xCO = 53\n INTEGER :: INDEX_CCHO = 54\n INTEGER :: INDEX_RCHO = 55\n INTEGER :: INDEX_xHCHO = 56\n INTEGER :: INDEX_MEK = 57\n INTEGER :: INDEX_zRNO3 = 58\n INTEGER :: INDEX_xRCHO = 59\n INTEGER :: INDEX_HCOOH = 60\n INTEGER :: INDEX_xMGLY = 61\n INTEGER :: INDEX_xBACL = 62\n INTEGER :: INDEX_ROOH = 63\n INTEGER :: INDEX_xPROD2 = 64\n INTEGER :: INDEX_R6OOH = 65\n INTEGER :: INDEX_PRD2 = 66\n INTEGER :: INDEX_yR6OOH = 67\n INTEGER :: INDEX_RAOOH = 68\n INTEGER :: INDEX_MGLY = 69\n INTEGER :: INDEX_IPRD = 70\n INTEGER :: INDEX_xGLY = 71\n INTEGER :: INDEX_xMEK = 72\n INTEGER :: INDEX_xAFG1 = 73\n INTEGER :: INDEX_xAFG2 = 74\n INTEGER :: INDEX_GLY = 75\n INTEGER :: INDEX_AFG1 = 76\n INTEGER :: INDEX_AFG2 = 77\n INTEGER :: INDEX_HCOCO3 = 78\n INTEGER :: INDEX_BACL = 79\n INTEGER :: INDEX_BALD = 80\n INTEGER :: INDEX_AFG3 = 81\n INTEGER :: INDEX_xIPRD = 82\n INTEGER :: INDEX_MACR = 83\n INTEGER :: INDEX_MVK = 84\n INTEGER :: INDEX_xHOCCHO = 85\n INTEGER :: INDEX_xRNO3 = 86\n INTEGER :: INDEX_HOCCHO = 87\n INTEGER :: INDEX_xACETONE = 88\n INTEGER :: INDEX_ACROLEIN = 89\n INTEGER :: INDEX_xBALD = 90\n INTEGER :: INDEX_xAFG3 = 91\n INTEGER :: INDEX_xMACR = 92\n INTEGER :: INDEX_xMVK = 93\n INTEGER :: INDEX_xMTNO3 = 94\n INTEGER :: INDEX_MTNO3 = 95\n INTEGER :: INDEX_IMACO3 = 96\n INTEGER :: INDEX_yRAOOH = 97\n INTEGER :: INDEX_zMTNO3 = 98\n INTEGER :: INDEX_xACROLEIN = 99\n INTEGER :: INDEX_ETHENE = 100\n INTEGER :: INDEX_PROPENE = 101\n INTEGER :: INDEX_BUTADIENE13 = 102\n INTEGER :: INDEX_ISOPRENE = 103\n INTEGER :: INDEX_APIN = 104\n INTEGER :: INDEX_TRPRXN = 105\n INTEGER :: INDEX_ACETYLENE = 106\n INTEGER :: INDEX_BENZENE = 107\n INTEGER :: INDEX_BENZRO2 = 108\n INTEGER :: INDEX_TOLUENE = 109\n INTEGER :: INDEX_TOLRO2 = 110\n INTEGER :: INDEX_MXYL = 111\n INTEGER :: INDEX_XYLRO2 = 112\n INTEGER :: INDEX_OXYL = 113\n INTEGER :: INDEX_PXYL = 114\n INTEGER :: INDEX_TMBENZ124 = 115\n INTEGER :: INDEX_ETOH = 116\n INTEGER :: INDEX_ALK1 = 117\n INTEGER :: INDEX_ALK2 = 118\n INTEGER :: INDEX_ALK3 = 119\n INTEGER :: INDEX_ALK4 = 120\n INTEGER :: INDEX_ALK5 = 121\n INTEGER :: INDEX_SOAALK = 122\n INTEGER :: INDEX_SVAVB2 = 123\n INTEGER :: INDEX_SVAVB3 = 124\n INTEGER :: INDEX_SVAVB4 = 125\n INTEGER :: INDEX_OLE1 = 126\n INTEGER :: INDEX_OLE2 = 127\n INTEGER :: INDEX_ARO1 = 128\n INTEGER :: INDEX_ARO2MN = 129\n INTEGER :: INDEX_NAPHTHAL = 130\n INTEGER :: INDEX_PAHRO2 = 131\n INTEGER :: INDEX_TERP = 132\n INTEGER :: INDEX_TERPNRO2 = 133\n INTEGER :: INDEX_SESQ = 134\n INTEGER :: INDEX_SESQRXN = 135\n INTEGER :: INDEX_CL2 = 136\n INTEGER :: INDEX_CL = 137\n INTEGER :: INDEX_CLNO = 138\n INTEGER :: INDEX_CLONO = 139\n INTEGER :: INDEX_CLNO2 = 140\n INTEGER :: INDEX_HCL = 141\n INTEGER :: INDEX_CLO = 142\n INTEGER :: INDEX_CLONO2 = 143\n INTEGER :: INDEX_HOCL = 144\n INTEGER :: INDEX_xCL = 145\n INTEGER :: INDEX_xCLCCHO = 146\n INTEGER :: INDEX_xCLACET = 147\n INTEGER :: INDEX_CLCCHO = 148\n INTEGER :: INDEX_CLACET = 149\n INTEGER :: INDEX_CLCHO = 150\n INTEGER :: INDEX_SVAVB1 = 151\n INTEGER :: INDEX_HCHO_PRIMARY = 152\n INTEGER :: INDEX_CCHO_PRIMARY = 153\n INTEGER :: INDEX_ACRO_PRIMARY = 154\n INTEGER :: INDEX_ISOPO2 = 155\n INTEGER :: INDEX_ISOPRXN = 156\n INTEGER :: INDEX_ISOPND = 157\n INTEGER :: INDEX_ISOPNB = 158\n INTEGER :: INDEX_HC5 = 159\n INTEGER :: INDEX_DIBOO = 160\n INTEGER :: INDEX_ISOPOOH = 161\n INTEGER :: INDEX_HPALD = 162\n INTEGER :: INDEX_HACET = 163\n INTEGER :: INDEX_NISOPO2 = 164\n INTEGER :: INDEX_NIT1 = 165\n INTEGER :: INDEX_NISOPOOH = 166\n INTEGER :: INDEX_HC5OO = 167\n INTEGER :: INDEX_DHMOB = 168\n INTEGER :: INDEX_ISOPNOOD = 169\n INTEGER :: INDEX_PROPNN = 170\n INTEGER :: INDEX_MVKN = 171\n INTEGER :: INDEX_ETHLN = 172\n INTEGER :: INDEX_RNO3I = 173\n INTEGER :: INDEX_ISOPNOOB = 174\n INTEGER :: INDEX_MACRN = 175\n INTEGER :: INDEX_NIT1NO3OOA = 176\n INTEGER :: INDEX_NIT1NO3OOB = 177\n INTEGER :: INDEX_ISOPNN = 178\n INTEGER :: INDEX_NIT1OHOO = 179\n INTEGER :: INDEX_MVKOO = 180\n INTEGER :: INDEX_MACROO = 181\n INTEGER :: INDEX_PYRUACD = 182\n INTEGER :: INDEX_IEPOX = 183\n INTEGER :: INDEX_IEPOXOO = 184\n INTEGER :: INDEX_IMPAA = 185\n INTEGER :: INDEX_IMAPAN = 186\n INTEGER :: INDEX_IMAE = 187\n INTEGER :: INDEX_IHMML = 188\n INTEGER :: INDEX_H2NO3PIJ = 189\n INTEGER :: INDEX_H2NO3PK = 190\n INTEGER :: INDEX_ACLI = 191\n INTEGER :: INDEX_ACLJ = 192\n INTEGER :: INDEX_ACLK = 193\n INTEGER :: INDEX_IEPOXP = 194\n INTEGER :: INDEX_IMAEP = 195\n INTEGER :: INDEX_IHMMLP = 196\n INTEGER :: INDEX_AIETETJ = 197\n INTEGER :: INDEX_ASO4J = 198\n INTEGER :: INDEX_AIEOSJ = 199\n INTEGER :: INDEX_ADIMJ = 200\n INTEGER :: INDEX_AIMGAJ = 201\n INTEGER :: INDEX_AIMOSJ = 202\n INTEGER :: INDEX_AISO1J = 203\n INTEGER :: INDEX_AOLGBJ = 204\n INTEGER :: INDEX_AISO2J = 205\n INTEGER :: INDEX_ASQTJ = 206\n INTEGER :: INDEX_AAVB2J = 207\n INTEGER :: INDEX_AOLGAJ = 208\n INTEGER :: INDEX_AAVB3J = 209\n INTEGER :: INDEX_AAVB4J = 210\n INTEGER :: INDEX_APOCI = 211\n INTEGER :: INDEX_APNCOMI = 212\n INTEGER :: INDEX_APOCJ = 213\n INTEGER :: INDEX_APNCOMJ = 214\n INTEGER :: INDEX_PCVOC = 215\n INTEGER :: INDEX_PCSOARXN = 216\n INTEGER :: INDEX_VLVPO1 = 217\n INTEGER :: INDEX_VSVPO1 = 218\n INTEGER :: INDEX_VSVPO2 = 219\n INTEGER :: INDEX_VSVPO3 = 220\n INTEGER :: INDEX_VIVPO1 = 221\n INTEGER :: INDEX_VLVOO1 = 222\n INTEGER :: INDEX_VLVOO2 = 223\n INTEGER :: INDEX_VSVOO2 = 224\n INTEGER :: INDEX_VSVOO3 = 225\n INTEGER :: INDEX_VSVOO1 = 226\n INTEGER :: INDEX_AMTNO3J = 227\n INTEGER :: INDEX_AMTHYDJ = 228\n INTEGER :: INDEX_AISOPNNJ = 229\n INTEGER :: INDEX_AGLYJ = 230\n\n INTEGER, PARAMETER :: N_ACT_SP = 230\n\n INTEGER, PARAMETER :: NRXNS = 929\n\n INTEGER, PARAMETER :: ONE_REACT_REACTIONS = 0\n\n INTEGER, PARAMETER :: TWO_REACT_REACTIONS = 0\n\n INTEGER, PARAMETER :: THREE_REACT_REACTIONS = 0\n\n INTEGER, PARAMETER :: ZERO_REACT_REACTIONS = 0\n\n LOGICAL, PARAMETER :: UNITARY_REACTIONS = .FALSE.\n\n INTEGER, PARAMETER :: ONE_REACT_START = 0\n\n INTEGER, PARAMETER :: ONE_REACT_STOP = -1\n\n LOGICAL, PARAMETER :: BINARY_REACTIONS = .FALSE.\n\n INTEGER, PARAMETER :: TWO_REACT_START = 0\n\n INTEGER, PARAMETER :: TWO_REACT_STOP = -1\n\n LOGICAL, PARAMETER :: TERNARY_REACTIONS = .FALSE.\n\n INTEGER, PARAMETER :: THREE_REACT_START = 0\n\n INTEGER, PARAMETER :: THREE_REACT_STOP = -1\n\n LOGICAL, PARAMETER :: NULL_REACTIONS = .FALSE.\n\n INTEGER, PARAMETER :: ZERO_REACT_START = 0\n\n INTEGER, PARAMETER :: ZERO_REACT_STOP = -1\n\n INTEGER, PARAMETER :: NSUNLIGHT_RXNS = 66\n\n INTEGER, PARAMETER :: NTHERMAL_RXNS = 863\n\n INTEGER, PARAMETER :: KUNITS = 2\n\n INTEGER :: IRXXN\n\n INTEGER, PARAMETER :: NMPHOT = 65\n INTEGER :: IPH( NMPHOT,3 )\n\n DATA ( IPH( IRXXN,1 ), IRXXN = 1, NMPHOT ) / & \n & 1, 16, 17, 18, 19, 23, 28, 34, 41, 65, & ! O \n & 75, 86, 98, 194, 195, 199, 202, 205, 207, 213, & ! 1 \n & 215, 217, 219, 220, 221, 224, 227, 231, 232, 234, & ! 2 \n & 238, 241, 248, 252, 254, 256, 257, 263, 265, 267, & ! 3 \n & 587, 589, 592, 593, 600, 601, 605, 627, 630, 694, & ! 4 \n & 695, 700, 707, 717, 798, 800, 803, 804, 806, 808, & ! 5 \n & 810, 819, 825, 841, 883/ ! 6 \n\n DATA ( IPH( IRXXN,2 ), IRXXN = 1, NMPHOT ) / & \n & 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, & ! O \n & 10, 10, 10, 11, 12, 13, 14, 15, 16, 17, & ! 1 \n & 17, 17, 17, 18, 19, 20, 21, 1, 1, 22, & ! 2 \n & 23, 23, 24, 25, 16, 26, 27, 28, 29, 29, & ! 3 \n & 30, 31, 32, 33, 34, 35, 36, 37, 38, 11, & ! 4 \n & 12, 13, 28, 39, 16, 40, 40, 26, 40, 14, & ! 5 \n & 20, 17, 25, 10, 26/ ! 6 \n\n DATA ( IPH( IRXXN,3 ), IRXXN = 1, NMPHOT ) / & \n & 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, & ! O \n & 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, & ! 1 \n & 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, & ! 2 \n & 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, & ! 3 \n & 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, & ! 4 \n & 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, & ! 5 \n & 61, 62, 63, 64, 65/ ! 6 \n\n REAL( 8 ) :: RTDAT( 3,NRXNS )\n\n INTEGER, PARAMETER :: NFALLOFF = 24\n REAL( 8 ) :: RFDAT( 5,NFALLOFF )\n\n INTEGER :: KTYPE( NRXNS )\n\n DATA ( KTYPE( IRXXN ), IRXXN = 1, NRXNS ) / & \n & 0, 2, 3, 10, 3, 10, 3, 3, 3, 3, & ! O \n & 10, 10, 1, 1, 3, 0, 0, 0, 0, 3, & ! 1 \n & 3, 10, 0, 3, 10, 1, 8, 0, 9, 3, & ! 2 \n & 3, 10, 10, 0, 3, 4, 9, 9, 1, 3, & ! 3 \n & 0, 1, 3, 10, 3, 3, 4, 4, 1, 4, & ! 4 \n & 3, 3, 3, 1, 1, 1, 6, 6, 6, 6, & ! 5 \n & 6, 6, 10, 10, 0, 3, 3, 6, 3, 3, & ! 6 \n & 6, 3, 4, 3, 0, 3, 6, 6, 6, 6, & ! 7 \n & 6, 6, 6, 1, 3, 0, 6, 6, 6, 6, & ! 8 \n & 6, 6, 6, 6, 6, 6, 3, 0, 1, 3, & ! 9 \n & 3, 6, 1, 6, 6, 6, 6, 6, 6, 6, & ! O \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 1 \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 2 \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 3 \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 4 \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 5 \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 6 \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 7 \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 8 \n & 6, 6, 6, 0, 0, 3, 3, 3, 0, 3, & ! 9 \n & 3, 0, 3, 4, 0, 4, 0, 3, 1, 3, & ! O \n & 1, 3, 0, 1, 0, 1, 0, 1, 0, 0, & ! 1 \n & 0, 3, 3, 0, 1, 3, 0, 3, 1, 1, & ! 2 \n & 0, 0, 1, 0, 3, 1, 1, 0, 1, 1, & ! 3 \n & 0, 1, 1, 3, 1, 3, 1, 0, 1, 1, & ! 4 \n & 1, 0, 1, 0, 1, 0, 0, 6, 1, 3, & ! 5 \n & 1, 1, 0, 1, 0, 1, 0, 6, 6, 6, & ! 6 \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 7 \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 8 \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 9 \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! O \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 1 \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 2 \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 3 \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 4 \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 5 \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 6 \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 7 \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 8 \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 9 \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! O \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 1 \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 2 \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 3 \n & 6, 3, 6, 6, 6, 6, 6, 6, 6, 6, & ! 4 \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 5 \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 6 \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 7 \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 8 \n & 6, 6, 3, 6, 6, 6, 6, 6, 6, 6, & ! 9 \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! O \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 1 \n & 6, 6, 3, 10, 3, 3, 3, 3, 3, 3, & ! 2 \n & 3, 3, 3, 1, 3, 3, 1, 3, 3, 3, & ! 3 \n & 1, 10, 3, 3, 3, 1, 1, 1, 1, 4, & ! 4 \n & 4, 4, 3, 3, 3, 3, 3, 3, 3, 3, & ! 5 \n & 3, 3, 3, 3, 1, 1, 1, 3, 3, 3, & ! 6 \n & 6, 3, 6, 6, 6, 6, 6, 6, 6, 6, & ! 7 \n & 6, 1, 6, 6, 6, 6, 0, 2, 0, 10, & ! 8 \n & 10, 0, 0, 2, 2, 3, 1, 3, 10, 0, & ! 9 \n & 0, 10, 3, 3, 0, 3, 3, 3, 3, 1, & ! O \n & 1, 1, 3, 1, 1, 1, 3, 1, 1, 1, & ! 1 \n & 1, 1, 1, 1, 1, 1, 0, 1, 1, 0, & ! 2 \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 3 \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 4 \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 5 \n & 3, 10, 1, 1, 1, 1, 10, 1, 1, 1, & ! 6 \n & 1, 1, 3, 3, 3, 1, 1, 1, 1, 1, & ! 7 \n & 1, 1, 1, 1, 6, 6, 6, 6, 6, 6, & ! 8 \n & 6, 6, 6, 0, 0, 3, 3, 3, 3, 0, & ! 9 \n & 3, 1, 1, 3, 1, 1, 0, 1, 3, 3, & ! O \n & 3, 1, 1, 1, 3, 3, 0, 1, 3, 1, & ! 1 \n & 3, 3, 1, 1, 1, 3, 3, 3, 3, 1, & ! 2 \n & 1, 3, 3, 3, 3, 3, 1, 1, 3, 1, & ! 3 \n & 3, 3, 3, 1, 1, 3, 1, 3, 1, 6, & ! 4 \n & 6, 6, 6, 6, 6, 1, 3, 3, 1, 1, & ! 5 \n & 3, 3, 3, 3, 3, 1, 1, 3, 3, 3, & ! 6 \n & 1, 1, 3, 3, 3, 3, 1, 1, 3, 3, & ! 7 \n & 3, 1, 1, 3, 3, 6, 1, 6, 6, 6, & ! 8 \n & 6, 6, 6, 6, 1, 1, 3, 0, 3, 0, & ! 9 \n & 1, 1, 0, 0, 3, 0, 3, 0, 1, 0, & ! O \n & 3, 3, 3, 3, 3, 1, 1, 3, 0, 1, & ! 1 \n & 1, 3, 3, 3, 0, 1, 3, 6, 1, 6, & ! 2 \n & 6, 6, 6, 6, 6, 6, 6, 3, 6, 3, & ! 3 \n & 0, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 4 \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 5 \n & 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, & ! 6 \n & 6, 6, 6, 6, 6, 6, 1, 1, 1, 1, & ! 7 \n & 1, 1, 0, -1, -1, -1, -1, -1, -1, -1, & ! 8 \n & -1, 12, -1, -1, -1, -1, -1, -1, -1, -1, & ! 9 \n & -1, -1, -1, -1, 1, 1, 1, 1, 1, 1, & ! O \n & 1, -1, 1, -1, 1, 1, 1, 1, 1, 1, & ! 1 \n & 1, 1, 1, 1, 1, 1, 1, -1, -1/ !2 \n\n INTEGER :: IRXBITS( NRXNS )\n\n DATA ( IRXBITS( IRXXN ), IRXXN = 1, NRXNS ) / & \n & 2, 20, 0, 1, 0, 1, 0, 0, 0, 16, & ! O \n & 1, 1, 8, 8, 0, 2, 2, 2, 2, 8, & ! 1 \n & 4, 1, 2, 0, 1, 0, 0, 2, 0, 0, & ! 2 \n & 0, 1, 1, 2, 0, 0, 0, 8, 0, 0, & ! 3 \n & 2, 0, 0, 1, 128, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 1, 1, 2, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 2, 2, 0, 0, 0, 2, 0, & ! 9 \n & 0, 2, 0, 0, 2, 0, 2, 0, 0, 0, & ! O \n & 0, 0, 2, 0, 2, 0, 2, 0, 2, 2, & ! 1 \n & 2, 0, 0, 2, 0, 0, 2, 0, 0, 0, & ! 2 \n & 2, 2, 0, 2, 0, 0, 0, 2, 0, 0, & ! 3 \n & 2, 0, 0, 0, 0, 0, 0, 2, 0, 0, & ! 4 \n & 0, 2, 0, 2, 0, 2, 2, 0, 0, 0, & ! 5 \n & 0, 0, 2, 0, 2, 0, 2, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 64, 1, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 2, 4, 2, 1, & ! 8 \n & 1, 2, 2, 0, 0, 0, 0, 0, 1, 2, & ! 9 \n & 2, 1, 0, 0, 2, 0, 0, 128, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 2, 0, 0, 2, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 64, 1, 0, 0, 0, 0, 1, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 2, 2, 0, 0, 0, 0, 2, & ! 9 \n & 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 2, 0, 2, & ! 9 \n & 0, 0, 2, 2, 0, 2, 0, 2, 0, 2, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, & ! 1 \n & 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 2, 1, 1, 1, 1, 1, 1, 1, & ! 8 \n & 1, 2, 1, 1, 1, 1, 1, 1, 1, 1, & ! 9 \n & 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 1, 1/ !2 \n\n INTEGER, PARAMETER :: NTERMS_JACOB = 52900\n\n INTEGER, PARAMETER :: NSTEPS_JACOB = 1858\n\n INTEGER :: IORDER( NRXNS )\n\n DATA ( IORDER( IRXXN ), IRXXN = 1, NRXNS ) / & \n & 1, 3, 2, 2, 2, 2, 2, 2, 2, 3, & ! O \n & 2, 1, 2, 3, 2, 1, 1, 1, 1, 2, & ! 1 \n & 2, 2, 1, 2, 2, 2, 2, 1, 2, 2, & ! 2 \n & 2, 2, 1, 1, 2, 2, 2, 3, 2, 2, & ! 3 \n & 1, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 2, 2, 2, 1, 1, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 1, 1, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 1, 1, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 1, 1, 2, 1, & ! 9 \n & 2, 2, 1, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 1 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 2 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 1, 1, 2, 2, 2, 1, 2, & ! 9 \n & 2, 1, 2, 2, 1, 2, 1, 2, 2, 2, & ! O \n & 2, 2, 1, 2, 1, 2, 1, 2, 1, 1, & ! 1 \n & 1, 2, 2, 1, 2, 2, 1, 2, 2, 2, & ! 2 \n & 1, 1, 2, 1, 2, 2, 2, 1, 2, 2, & ! 3 \n & 1, 2, 2, 2, 2, 2, 2, 1, 2, 2, & ! 4 \n & 2, 1, 2, 1, 2, 1, 1, 2, 2, 2, & ! 5 \n & 2, 2, 1, 2, 1, 2, 1, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 9 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 1 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 2 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 9 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 1 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 2 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 9 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 1 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 2 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 1, 3, 1, 2, & ! 8 \n & 2, 1, 1, 2, 2, 2, 2, 2, 2, 1, & ! 9 \n & 1, 1, 2, 2, 1, 2, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 1 \n & 2, 2, 2, 2, 2, 2, 1, 2, 2, 1, & ! 2 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 1, 1, 2, 2, 2, 2, 1, & ! 9 \n & 2, 2, 2, 2, 2, 2, 1, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 2, 1, 1, 2, 2, 2, & ! 1 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 2 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 2, 1, 2, 1, & ! 9 \n & 2, 2, 1, 1, 2, 1, 2, 1, 2, 1, & ! O \n & 2, 2, 2, 2, 2, 2, 2, 2, 1, 2, & ! 1 \n & 2, 2, 2, 2, 1, 2, 2, 2, 2, 2, & ! 2 \n & 2, 2, 2, 2, 2, 2, 2, 1, 2, 1, & ! 3 \n & 1, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 1, 1, 1, 1, 1, 1, 2, 2, & ! 8 \n & 2, 1, 1, 1, 1, 1, 2, 2, 2, 1, & ! 9 \n & 2, 1, 2, 1, 1, 1, 1, 1, 1, 1, & ! O \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 1 \n & 2, 2, 2, 2, 2, 1, 1, 1, 1/ !2 \n\n INTEGER, PARAMETER :: KTN1 = 158\n INTEGER :: KRX1( KTN1 )\n\n DATA ( KRX1( IRXXN ), IRXXN = 1, KTN1 ) / & \n & 13, 14, 26, 39, 42, 49, 54, 55, 56, 84, & ! O \n & 99, 103, 209, 211, 214, 216, 218, 225, 229, 230, & ! 1 \n & 233, 236, 237, 239, 240, 242, 243, 245, 247, 249, & ! 2 \n & 250, 251, 253, 255, 259, 261, 262, 264, 266, 534, & ! 3 \n & 537, 541, 546, 547, 548, 549, 565, 566, 567, 582, & ! 4 \n & 597, 610, 611, 612, 614, 615, 616, 618, 619, 620, & ! 5 \n & 621, 622, 623, 624, 625, 626, 628, 629, 663, 664, & ! 6 \n & 665, 666, 668, 669, 670, 671, 672, 676, 677, 678, & ! 7 \n & 679, 680, 681, 682, 683, 684, 702, 703, 705, 706, & ! 8 \n & 708, 712, 713, 714, 718, 720, 723, 724, 725, 730, & ! 9 \n & 731, 737, 738, 740, 744, 745, 747, 749, 756, 759, & ! O \n & 760, 766, 767, 771, 772, 777, 778, 782, 783, 787, & ! 1 \n & 795, 796, 801, 802, 809, 816, 817, 820, 821, 826, & ! 2 \n & 829, 877, 878, 879, 880, 881, 882, 905, 906, 907, & ! 3 \n & 908, 909, 910, 911, 913, 915, 916, 917, 918, 919, & ! 4 \n & 920, 921, 922, 923, 924, 925, 926, 927/ ! 5 \n\n INTEGER, PARAMETER :: KTN2 = 4\n INTEGER :: KRX2( KTN2 )\n\n DATA ( KRX2( IRXXN ), IRXXN = 1, KTN2 ) / & \n & 2, 588, 594, 595/\n\n INTEGER, PARAMETER :: KTN3 = 162\n INTEGER :: KRX3( KTN3 )\n\n DATA ( KRX3( IRXXN ), IRXXN = 1, KTN3 ) / & \n & 3, 5, 7, 8, 9, 10, 15, 20, 21, 24, & ! O \n & 30, 31, 35, 40, 43, 45, 46, 51, 52, 53, & ! 1 \n & 66, 67, 69, 70, 72, 74, 76, 85, 97, 100, & ! 2 \n & 101, 196, 197, 198, 200, 201, 203, 208, 210, 212, & ! 3 \n & 222, 223, 226, 228, 235, 244, 246, 260, 442, 493, & ! 4 \n & 523, 525, 526, 527, 528, 529, 530, 531, 532, 533, & ! 5 \n & 535, 536, 538, 539, 540, 543, 544, 545, 553, 554, & ! 6 \n & 555, 556, 557, 558, 559, 560, 561, 562, 563, 564, & ! 7 \n & 568, 569, 570, 572, 596, 598, 603, 604, 606, 607, & ! 8 \n & 608, 609, 613, 617, 661, 673, 674, 675, 696, 697, & ! 9 \n & 698, 699, 701, 704, 709, 710, 711, 715, 716, 719, & ! O \n & 721, 722, 726, 727, 728, 729, 732, 733, 734, 735, & ! 1 \n & 736, 739, 741, 742, 743, 746, 748, 757, 758, 761, & ! 2 \n & 762, 763, 764, 765, 768, 769, 770, 773, 774, 775, & ! 3 \n & 776, 779, 780, 781, 784, 785, 797, 799, 805, 807, & ! 4 \n & 811, 812, 813, 814, 815, 818, 822, 823, 824, 827, & ! 5 \n & 838, 840/ ! 6 \n\n INTEGER, PARAMETER :: KTN4 = 10\n INTEGER :: KRX4( KTN4 )\n\n DATA ( KRX4( IRXXN ), IRXXN = 1, KTN4 ) / & \n & 36, 47, 48, 50, 73, 204, 206, 550, 551, 552/\n\n INTEGER, PARAMETER :: KTN5 = 0\n INTEGER :: KRX5( 1 )\n\n DATA KRX5( 1 ) / 0 /\n\n INTEGER, PARAMETER :: KTN6 = 482\n INTEGER :: KRX6( KTN6 )\n\n DATA ( KRX6( IRXXN ), IRXXN = 1, KTN6 ) / & \n & 57, 58, 59, 60, 61, 62, 68, 71, 77, 78, & ! O \n & 79, 80, 81, 82, 83, 87, 88, 89, 90, 91, & ! 1 \n & 92, 93, 94, 95, 96, 102, 104, 105, 106, 107, & ! 2 \n & 108, 109, 110, 111, 112, 113, 114, 115, 116, 117, & ! 3 \n & 118, 119, 120, 121, 122, 123, 124, 125, 126, 127, & ! 4 \n & 128, 129, 130, 131, 132, 133, 134, 135, 136, 137, & ! 5 \n & 138, 139, 140, 141, 142, 143, 144, 145, 146, 147, & ! 6 \n & 148, 149, 150, 151, 152, 153, 154, 155, 156, 157, & ! 7 \n & 158, 159, 160, 161, 162, 163, 164, 165, 166, 167, & ! 8 \n & 168, 169, 170, 171, 172, 173, 174, 175, 176, 177, & ! 9 \n & 178, 179, 180, 181, 182, 183, 184, 185, 186, 187, & ! O \n & 188, 189, 190, 191, 192, 193, 258, 268, 269, 270, & ! 1 \n & 271, 272, 273, 274, 275, 276, 277, 278, 279, 280, & ! 2 \n & 281, 282, 283, 284, 285, 286, 287, 288, 289, 290, & ! 3 \n & 291, 292, 293, 294, 295, 296, 297, 298, 299, 300, & ! 4 \n & 301, 302, 303, 304, 305, 306, 307, 308, 309, 310, & ! 5 \n & 311, 312, 313, 314, 315, 316, 317, 318, 319, 320, & ! 6 \n & 321, 322, 323, 324, 325, 326, 327, 328, 329, 330, & ! 7 \n & 331, 332, 333, 334, 335, 336, 337, 338, 339, 340, & ! 8 \n & 341, 342, 343, 344, 345, 346, 347, 348, 349, 350, & ! 9 \n & 351, 352, 353, 354, 355, 356, 357, 358, 359, 360, & ! O \n & 361, 362, 363, 364, 365, 366, 367, 368, 369, 370, & ! 1 \n & 371, 372, 373, 374, 375, 376, 377, 378, 379, 380, & ! 2 \n & 381, 382, 383, 384, 385, 386, 387, 388, 389, 390, & ! 3 \n & 391, 392, 393, 394, 395, 396, 397, 398, 399, 400, & ! 4 \n & 401, 402, 403, 404, 405, 406, 407, 408, 409, 410, & ! 5 \n & 411, 412, 413, 414, 415, 416, 417, 418, 419, 420, & ! 6 \n & 421, 422, 423, 424, 425, 426, 427, 428, 429, 430, & ! 7 \n & 431, 432, 433, 434, 435, 436, 437, 438, 439, 440, & ! 8 \n & 441, 443, 444, 445, 446, 447, 448, 449, 450, 451, & ! 9 \n & 452, 453, 454, 455, 456, 457, 458, 459, 460, 461, & ! O \n & 462, 463, 464, 465, 466, 467, 468, 469, 470, 471, & ! 1 \n & 472, 473, 474, 475, 476, 477, 478, 479, 480, 481, & ! 2 \n & 482, 483, 484, 485, 486, 487, 488, 489, 490, 491, & ! 3 \n & 492, 494, 495, 496, 497, 498, 499, 500, 501, 502, & ! 4 \n & 503, 504, 505, 506, 507, 508, 509, 510, 511, 512, & ! 5 \n & 513, 514, 515, 516, 517, 518, 519, 520, 521, 522, & ! 6 \n & 571, 573, 574, 575, 576, 577, 578, 579, 580, 581, & ! 7 \n & 583, 584, 585, 586, 631, 632, 633, 634, 635, 636, & ! 8 \n & 637, 638, 639, 640, 641, 642, 643, 644, 645, 646, & ! 9 \n & 647, 648, 649, 650, 651, 652, 653, 654, 655, 656, & ! O \n & 657, 658, 659, 660, 685, 686, 687, 688, 689, 690, & ! 1 \n & 691, 692, 693, 750, 751, 752, 753, 754, 755, 786, & ! 2 \n & 788, 789, 790, 791, 792, 793, 794, 828, 830, 831, & ! 3 \n & 832, 833, 834, 835, 836, 837, 839, 842, 843, 844, & ! 4 \n & 845, 846, 847, 848, 849, 850, 851, 852, 853, 854, & ! 5 \n & 855, 856, 857, 858, 859, 860, 861, 862, 863, 864, & ! 6 \n & 865, 866, 867, 868, 869, 870, 871, 872, 873, 874, & ! 7 \n & 875, 876/ ! 8 \n\n INTEGER, PARAMETER :: KTN7 = 0\n INTEGER :: KRX7( 1 )\n\n DATA KRX7( 1 ) / 0 /\n\n INTEGER, PARAMETER :: NWM = 3\n INTEGER :: NRXWM( NWM )\n\n DATA ( NRXWM( IRXXN ), IRXXN = 1, NWM ) / & \n & 2, 21, 588/\n REAL( 8 ), PARAMETER :: ATM_AIR = 1.00000D+06\n\n INTEGER, PARAMETER :: NWW = 5\n INTEGER :: NRXWW( NWW )\n\n DATA ( NRXWW( IRXXN ), IRXXN = 1, NWW ) / & \n & 13, 14, 14, 20, 38/\n\n INTEGER, PARAMETER :: NWO2 = 2\n INTEGER :: NRXWO2( NWO2 )\n\n DATA ( NRXWO2( IRXXN ), IRXXN = 1, NWO2 ) / & \n & 2, 10/\n REAL( 8 ), PARAMETER :: ATM_O2 = 2.09500D+05\n\n INTEGER, PARAMETER :: NWN2 = 0\n INTEGER :: NRXWN2( 1 )\n\n DATA NRXWN2( 1 ) / 0 /\n REAL( 8 ), PARAMETER :: ATM_N2 = 7.80800D+05\n\n INTEGER, PARAMETER :: NWCH4 = 2\n INTEGER :: NRXWCH4( NWCH4 )\n\n DATA ( NRXWCH4( IRXXN ), IRXXN = 1, NWCH4 ) / & \n & 523, 661/\n REAL( 8 ), PARAMETER :: ATM_CH4 = 1.85000D+00\n\n INTEGER, PARAMETER :: NWH2 = 2\n INTEGER :: NRXWH2( NWH2 )\n\n DATA ( NRXWH2( IRXXN ), IRXXN = 1, NWH2 ) / & \n & 45, 608/\n REAL( 8 ), PARAMETER :: ATM_H2 = 5.60000D-01\n\n INTEGER, PARAMETER :: MXPRD = 26\n INTEGER :: IRR( NRXNS,MXPRD+3 )\n\n DATA ( IRR( IRXXN, 1 ), IRXXN = 1, NRXNS ) / & \n & 1, 3, 3, 3, 3, 3, 4, 4, 2, 2, & ! O \n & 1, 6, 6, 6, 1, 5, 5, 4, 4, 8, & ! 1 \n & 8, 9, 10, 9, 9, 9, 9, 7, 9, 9, & ! 2 \n & 11, 11, 14, 14, 14, 11, 11, 11, 5, 5, & ! 3 \n & 15, 15, 9, 9, 9, 19, 19, 19, 19, 19, & ! 4 \n & 19, 23, 23, 23, 23, 23, 24, 24, 24, 24, & ! 5 \n & 24, 24, 25, 26, 26, 25, 25, 25, 25, 25, & ! 6 \n & 25, 25, 29, 30, 30, 29, 29, 29, 29, 29, & ! 7 \n & 29, 29, 29, 36, 37, 37, 36, 36, 36, 36, & ! 8 \n & 36, 36, 36, 36, 36, 39, 40, 40, 41, 41, & ! 9 \n & 38, 38, 38, 31, 31, 31, 31, 31, 31, 31, & ! O \n & 31, 31, 31, 46, 46, 46, 46, 46, 46, 46, & ! 1 \n & 46, 46, 46, 47, 47, 47, 47, 47, 47, 47, & ! 2 \n & 47, 47, 47, 48, 48, 48, 48, 48, 48, 48, & ! 3 \n & 48, 48, 48, 49, 49, 49, 49, 49, 49, 49, & ! 4 \n & 49, 49, 49, 50, 50, 50, 50, 50, 50, 50, & ! 5 \n & 50, 50, 50, 51, 51, 51, 51, 51, 51, 51, & ! 6 \n & 51, 51, 51, 52, 52, 52, 52, 52, 52, 52, & ! 7 \n & 52, 52, 52, 53, 53, 53, 53, 53, 53, 53, & ! 8 \n & 53, 53, 53, 20, 20, 20, 20, 54, 54, 54, & ! 9 \n & 55, 55, 55, 43, 43, 57, 57, 22, 60, 28, & ! O \n & 35, 21, 21, 63, 63, 65, 65, 68, 68, 75, & ! 1 \n & 75, 75, 75, 69, 69, 69, 79, 45, 45, 44, & ! 2 \n & 44, 44, 80, 80, 80, 76, 76, 76, 77, 77, & ! 3 \n & 77, 81, 81, 83, 83, 84, 84, 84, 70, 70, & ! 4 \n & 70, 70, 66, 66, 42, 42, 87, 87, 89, 89, & ! 5 \n & 89, 89, 89, 27, 27, 34, 34, 78, 78, 78, & ! 6 \n & 56, 56, 56, 56, 56, 56, 56, 56, 56, 56, & ! 7 \n & 33, 33, 33, 33, 33, 33, 33, 33, 33, 33, & ! 8 \n & 59, 59, 59, 59, 59, 59, 59, 59, 59, 59, & ! 9 \n & 88, 88, 88, 88, 88, 88, 88, 88, 88, 88, & ! O \n & 72, 72, 72, 72, 72, 72, 72, 72, 72, 72, & ! 1 \n & 64, 64, 64, 64, 64, 64, 64, 64, 64, 64, & ! 2 \n & 71, 71, 71, 71, 71, 71, 71, 71, 71, 71, & ! 3 \n & 61, 61, 61, 61, 61, 61, 61, 61, 61, 61, & ! 4 \n & 62, 62, 62, 62, 62, 62, 62, 62, 62, 62, & ! 5 \n & 90, 90, 90, 90, 90, 90, 90, 90, 90, 90, & ! 6 \n & 73, 73, 73, 73, 73, 73, 73, 73, 73, 73, & ! 7 \n & 74, 74, 74, 74, 74, 74, 74, 74, 74, 74, & ! 8 \n & 91, 91, 91, 91, 91, 91, 91, 91, 91, 91, & ! 9 \n & 92, 92, 92, 92, 92, 92, 92, 92, 92, 92, & ! O \n & 93, 93, 93, 93, 93, 93, 93, 93, 93, 93, & ! 1 \n & 82, 82, 82, 82, 82, 82, 82, 82, 82, 82, & ! 2 \n & 86, 86, 86, 86, 86, 86, 86, 86, 86, 86, & ! 3 \n & 94, 94, 94, 94, 94, 94, 94, 94, 94, 94, & ! 4 \n & 94, 32, 32, 32, 32, 32, 32, 32, 32, 32, & ! 5 \n & 32, 67, 67, 67, 67, 67, 67, 67, 67, 67, & ! 6 \n & 67, 97, 97, 97, 97, 97, 97, 97, 97, 97, & ! 7 \n & 97, 58, 58, 58, 58, 58, 58, 58, 58, 58, & ! 8 \n & 58, 98, 98, 98, 98, 98, 98, 98, 98, 98, & ! 9 \n & 98, 98, 85, 85, 85, 85, 85, 85, 85, 85, & ! O \n & 85, 85, 99, 99, 99, 99, 99, 99, 99, 99, & ! 1 \n & 99, 99, 9, 100, 100, 100, 100, 101, 101, 101, & ! 2 \n & 101, 102, 102, 102, 102, 103, 103, 104, 104, 104, & ! 3 \n & 104, 106, 106, 107, 109, 111, 113, 114, 115, 116, & ! 4 \n & 117, 118, 119, 120, 121, 122, 126, 126, 126, 126, & ! 5 \n & 127, 127, 127, 127, 128, 129, 130, 132, 132, 132, & ! 6 \n & 133, 133, 133, 133, 133, 133, 133, 133, 133, 133, & ! 7 \n & 133, 132, 134, 134, 134, 134, 136, 137, 138, 137, & ! 8 \n & 137, 139, 140, 137, 137, 137, 137, 142, 142, 143, & ! 9 \n & 143, 143, 137, 142, 144, 142, 9, 137, 20, 54, & ! O \n & 22, 55, 43, 57, 42, 66, 75, 69, 45, 80, & ! 1 \n & 63, 65, 68, 89, 84, 70, 148, 148, 148, 149, & ! 2 \n & 145, 145, 145, 145, 145, 145, 145, 145, 145, 145, & ! 3 \n & 146, 146, 146, 146, 146, 146, 146, 146, 146, 146, & ! 4 \n & 147, 147, 147, 147, 147, 147, 147, 147, 147, 147, & ! 5 \n & 137, 100, 101, 102, 103, 104, 106, 109, 111, 113, & ! 6 \n & 114, 115, 116, 117, 118, 119, 120, 121, 126, 127, & ! 7 \n & 128, 129, 130, 132, 134, 108, 108, 112, 112, 110, & ! 8 \n & 110, 131, 131, 152, 152, 152, 152, 152, 153, 153, & ! 9 \n & 153, 153, 154, 154, 154, 154, 154, 154, 103, 155, & ! O \n & 155, 155, 155, 155, 155, 155, 162, 162, 103, 164, & ! 1 \n & 164, 164, 164, 164, 164, 164, 159, 167, 167, 167, & ! 2 \n & 167, 167, 159, 157, 169, 169, 169, 169, 169, 157, & ! 3 \n & 158, 174, 174, 174, 174, 174, 158, 165, 176, 176, & ! 4 \n & 176, 176, 176, 176, 176, 177, 177, 177, 177, 177, & ! 5 \n & 177, 165, 165, 179, 179, 179, 179, 179, 160, 160, & ! 6 \n & 160, 160, 160, 84, 180, 180, 180, 180, 180, 181, & ! 7 \n & 181, 181, 181, 181, 39, 39, 39, 39, 39, 39, & ! 8 \n & 39, 39, 39, 39, 40, 87, 163, 163, 172, 172, & ! 9 \n & 170, 178, 170, 178, 171, 171, 175, 175, 168, 182, & ! O \n & 161, 161, 183, 184, 184, 184, 184, 184, 161, 173, & ! 1 \n & 166, 166, 83, 83, 83, 83, 96, 96, 96, 96, & ! 2 \n & 96, 96, 96, 96, 96, 96, 96, 181, 96, 186, & ! 3 \n & 186, 53, 52, 51, 50, 49, 48, 47, 46, 31, & ! 4 \n & 99, 85, 58, 97, 67, 32, 86, 82, 93, 92, & ! 5 \n & 91, 74, 73, 90, 62, 61, 71, 64, 72, 88, & ! 6 \n & 59, 33, 56, 145, 147, 146, 186, 187, 188, 185, & ! 7 \n & 95, 95, 95, 1, 6, 6, 189, 190, 189, 189, & ! 8 \n & 190, 4, 183, 187, 188, 194, 194, 194, 194, 195, & ! 9 \n & 195, 196, 196, 5, 203, 205, 206, 207, 209, 210, & ! O \n & 211, 212, 213, 214, 215, 217, 218, 219, 220, 221, & ! 1 \n & 222, 223, 226, 224, 225, 227, 229, 75, 69/ !2 \n\n DATA ( IRR( IRXXN, 2 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 4, 2, 1, 1, 2, 1, 5, 2, & ! O \n & 5, 0, 0, 0, 5, 0, 0, 0, 0, 0, & ! 1 \n & 0, 2, 0, 10, 1, 5, 7, 0, 12, 4, & ! 2 \n & 2, 1, 0, 0, 9, 4, 11, 11, 11, 5, & ! 3 \n & 0, 9, 11, 16, 0, 2, 11, 11, 5, 19, & ! 4 \n & 19, 2, 11, 5, 19, 23, 2, 11, 5, 19, & ! 5 \n & 23, 24, 1, 0, 0, 2, 11, 5, 19, 23, & ! 6 \n & 24, 25, 1, 0, 0, 2, 11, 5, 19, 23, & ! 7 \n & 24, 25, 29, 1, 0, 0, 2, 11, 5, 19, & ! 8 \n & 23, 24, 25, 29, 36, 1, 0, 0, 1, 0, & ! 9 \n & 1, 11, 0, 2, 11, 5, 19, 23, 24, 25, & ! O \n & 29, 36, 39, 2, 11, 5, 19, 23, 24, 25, & ! 1 \n & 29, 36, 39, 2, 11, 5, 19, 23, 24, 25, & ! 2 \n & 29, 36, 39, 2, 11, 5, 19, 23, 24, 25, & ! 3 \n & 29, 36, 39, 2, 11, 5, 19, 23, 24, 25, & ! 4 \n & 29, 36, 39, 2, 11, 5, 19, 23, 24, 25, & ! 5 \n & 29, 36, 39, 2, 11, 5, 19, 23, 24, 25, & ! 6 \n & 29, 36, 39, 2, 11, 5, 19, 23, 24, 25, & ! 7 \n & 29, 36, 39, 2, 11, 5, 19, 23, 24, 25, & ! 8 \n & 29, 36, 39, 0, 0, 9, 5, 9, 0, 5, & ! 9 \n & 9, 0, 5, 9, 0, 9, 0, 9, 9, 9, & ! O \n & 9, 9, 0, 9, 0, 9, 0, 9, 0, 0, & ! 1 \n & 0, 9, 5, 0, 9, 5, 0, 9, 5, 9, & ! 2 \n & 0, 0, 9, 0, 5, 9, 4, 0, 9, 4, & ! 3 \n & 0, 9, 4, 4, 3, 4, 3, 0, 9, 4, & ! 4 \n & 5, 0, 9, 0, 9, 0, 0, 5, 9, 4, & ! 5 \n & 5, 3, 0, 9, 0, 9, 0, 2, 1, 11, & ! 6 \n & 2, 11, 5, 19, 23, 24, 25, 29, 36, 39, & ! 7 \n & 2, 11, 5, 19, 23, 24, 25, 29, 36, 39, & ! 8 \n & 2, 11, 5, 19, 23, 24, 25, 29, 36, 39, & ! 9 \n & 2, 11, 5, 19, 23, 24, 25, 29, 36, 39, & ! O \n & 2, 11, 5, 19, 23, 24, 25, 29, 36, 39, & ! 1 \n & 2, 11, 5, 19, 23, 24, 25, 29, 36, 39, & ! 2 \n & 2, 11, 5, 19, 23, 24, 25, 29, 36, 39, & ! 3 \n & 2, 11, 5, 19, 23, 24, 25, 29, 36, 39, & ! 4 \n & 2, 11, 5, 19, 23, 24, 25, 29, 36, 39, & ! 5 \n & 2, 11, 5, 19, 23, 24, 25, 29, 36, 39, & ! 6 \n & 2, 11, 5, 19, 23, 24, 25, 29, 36, 39, & ! 7 \n & 2, 11, 5, 19, 23, 24, 25, 29, 36, 39, & ! 8 \n & 2, 11, 5, 19, 23, 24, 25, 29, 36, 39, & ! 9 \n & 2, 11, 5, 19, 23, 24, 25, 29, 36, 39, & ! O \n & 2, 11, 5, 19, 23, 24, 25, 29, 36, 39, & ! 1 \n & 2, 11, 5, 19, 23, 24, 25, 29, 36, 39, & ! 2 \n & 2, 11, 5, 19, 23, 24, 25, 29, 36, 39, & ! 3 \n & 2, 11, 5, 19, 23, 24, 25, 29, 36, 39, & ! 4 \n & 96, 2, 11, 5, 19, 23, 24, 25, 29, 36, & ! 5 \n & 39, 2, 11, 5, 19, 23, 24, 25, 29, 36, & ! 6 \n & 39, 2, 11, 5, 19, 23, 24, 25, 29, 36, & ! 7 \n & 39, 2, 11, 5, 19, 23, 24, 25, 29, 36, & ! 8 \n & 39, 2, 11, 5, 19, 23, 24, 25, 29, 36, & ! 9 \n & 39, 96, 2, 11, 5, 19, 23, 24, 25, 29, & ! O \n & 36, 39, 2, 11, 5, 19, 23, 24, 25, 29, & ! 1 \n & 36, 39, 0, 9, 4, 5, 3, 9, 4, 5, & ! 2 \n & 3, 9, 4, 5, 3, 4, 3, 9, 4, 5, & ! 3 \n & 3, 9, 4, 9, 9, 9, 9, 9, 9, 9, & ! 4 \n & 9, 9, 9, 9, 9, 9, 9, 4, 5, 3, & ! 5 \n & 9, 4, 5, 3, 9, 9, 9, 9, 4, 5, & ! 6 \n & 2, 11, 5, 19, 23, 24, 25, 29, 36, 39, & ! 7 \n & 96, 3, 9, 4, 5, 3, 0, 2, 0, 1, & ! 8 \n & 1, 0, 0, 11, 11, 4, 5, 2, 1, 0, & ! 9 \n & 0, 0, 143, 11, 0, 142, 141, 0, 137, 137, & ! O \n & 137, 137, 137, 137, 137, 137, 137, 137, 137, 137, & ! 1 \n & 137, 137, 137, 137, 137, 137, 0, 9, 137, 0, & ! 2 \n & 2, 11, 5, 19, 23, 24, 25, 29, 36, 39, & ! 3 \n & 2, 11, 5, 19, 23, 24, 25, 29, 36, 39, & ! 4 \n & 2, 11, 5, 19, 23, 24, 25, 29, 36, 39, & ! 5 \n & 0, 137, 137, 137, 137, 137, 137, 137, 137, 137, & ! 6 \n & 137, 137, 137, 137, 137, 137, 137, 137, 137, 137, & ! 7 \n & 137, 137, 137, 137, 137, 2, 11, 2, 11, 2, & ! 8 \n & 11, 2, 11, 0, 0, 9, 5, 137, 9, 0, & ! 9 \n & 5, 137, 9, 4, 5, 3, 0, 137, 9, 2, & ! O \n & 11, 19, 23, 155, 25, 0, 0, 9, 5, 5, & ! 1 \n & 2, 11, 19, 23, 164, 25, 9, 2, 11, 19, & ! 2 \n & 23, 25, 4, 9, 2, 11, 19, 23, 25, 4, & ! 3 \n & 9, 2, 11, 19, 23, 25, 4, 5, 5, 2, & ! 4 \n & 1, 11, 23, 19, 25, 5, 2, 11, 23, 19, & ! 5 \n & 25, 4, 9, 2, 11, 23, 19, 25, 2, 11, & ! 6 \n & 19, 23, 25, 9, 2, 11, 19, 23, 25, 2, & ! 7 \n & 11, 19, 23, 25, 2, 11, 5, 19, 23, 24, & ! 8 \n & 25, 29, 36, 39, 9, 9, 9, 0, 9, 0, & ! 9 \n & 9, 9, 0, 0, 9, 0, 9, 0, 9, 0, & ! O \n & 9, 9, 9, 11, 2, 19, 23, 25, 0, 9, & ! 1 \n & 9, 9, 9, 5, 0, 137, 2, 11, 5, 19, & ! 2 \n & 23, 24, 25, 29, 36, 39, 96, 0, 1, 0, & ! 3 \n & 0, 96, 96, 96, 96, 96, 96, 96, 96, 96, & ! 4 \n & 96, 96, 96, 96, 96, 96, 96, 96, 96, 96, & ! 5 \n & 96, 96, 96, 96, 96, 96, 96, 96, 96, 96, & ! 6 \n & 96, 96, 96, 96, 96, 96, 9, 9, 9, 9, & ! 7 \n & 137, 9, 0, 0, 0, 0, 0, 0, 191, 192, & ! 8 \n & 193, 0, 0, 0, 0, 0, 198, 197, 199, 0, & ! 9 \n & 198, 0, 198, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, & ! 1 \n & 9, 9, 9, 9, 9, 0, 0, 0, 0/ !2 \n\n DATA ( IRR( IRXXN, 3 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0/ !2 \n\n DATA ( IRR( IRXXN, 4 ), IRXXN = 1, NRXNS ) / & \n & 2, 4, 0, 1, 2, 5, 1, 5, 1, 1, & ! O \n & 6, 1, 7, 7, 2, 2, 1, 8, 3, 9, & ! 1 \n & 3, 10, 9, 1, 7, 11, 5, 9, 11, 11, & ! 2 \n & 9, 14, 11, 11, 1, 9, 15, 15, 9, 1, & ! 3 \n & 9, 11, 0, 11, 11, 1, 21, 20, 20, 22, & ! 4 \n & 20, 1, 0, 1, 11, 0, 0, 0, 1, 11, & ! 5 \n & 0, 0, 26, 25, 25, 19, 27, 19, 28, 19, & ! 6 \n & 19, 19, 30, 29, 29, 1, 34, 1, 20, 23, & ! 7 \n & 23, 13, 23, 37, 36, 36, 1, 34, 1, 20, & ! 8 \n & 23, 23, 13, 13, 38, 40, 39, 39, 42, 43, & ! 9 \n & 44, 45, 45, 2, 11, 5, 19, 23, 24, 25, & ! O \n & 29, 36, 39, 2, 11, 5, 19, 23, 24, 25, & ! 1 \n & 29, 36, 39, 2, 11, 5, 19, 23, 24, 25, & ! 2 \n & 29, 36, 39, 2, 11, 5, 19, 23, 24, 25, & ! 3 \n & 29, 36, 39, 2, 11, 5, 19, 23, 24, 25, & ! 4 \n & 29, 36, 39, 2, 11, 5, 19, 23, 24, 25, & ! 5 \n & 29, 36, 39, 2, 11, 5, 19, 23, 24, 25, & ! 6 \n & 29, 36, 39, 2, 11, 5, 19, 23, 24, 25, & ! 7 \n & 29, 36, 39, 2, 11, 5, 19, 23, 24, 25, & ! 8 \n & 29, 36, 39, 11, 12, 11, 7, 25, 12, 7, & ! 9 \n & 29, 23, 7, 23, 25, 23, 25, 20, 11, 19, & ! O \n & 23, 20, 20, 9, 55, 9, 9, 9, 9, 12, & ! 1 \n & 20, 11, 7, 11, 12, 7, 25, 38, 7, 38, & ! 2 \n & 10, 0, 36, 0, 7, 39, 9, 11, 39, 9, & ! 3 \n & 66, 39, 9, 9, 55, 9, 55, 19, 39, 9, & ! 4 \n & 39, 11, 11, 31, 11, 11, 12, 7, 31, 11, & ! 5 \n & 31, 55, 11, 25, 19, 29, 31, 11, 11, 9, & ! 6 \n & 2, 11, 5, 19, 23, 24, 25, 29, 36, 39, & ! 7 \n & 2, 11, 5, 19, 23, 24, 25, 29, 36, 39, & ! 8 \n & 2, 11, 5, 19, 23, 24, 25, 29, 36, 39, & ! 9 \n & 2, 11, 5, 19, 23, 24, 25, 29, 36, 39, & ! O \n & 2, 11, 5, 19, 23, 24, 25, 29, 36, 39, & ! 1 \n & 2, 11, 5, 19, 23, 24, 25, 29, 36, 39, & ! 2 \n & 2, 11, 5, 19, 23, 24, 25, 29, 36, 39, & ! 3 \n & 2, 11, 5, 19, 23, 24, 25, 29, 36, 39, & ! 4 \n & 2, 11, 5, 19, 23, 24, 25, 29, 36, 39, & ! 5 \n & 2, 11, 5, 19, 23, 24, 25, 29, 36, 39, & ! 6 \n & 2, 11, 5, 19, 23, 24, 25, 29, 36, 39, & ! 7 \n & 2, 11, 5, 19, 23, 24, 25, 29, 36, 39, & ! 8 \n & 2, 11, 5, 19, 23, 24, 25, 29, 36, 39, & ! 9 \n & 2, 11, 5, 19, 23, 24, 25, 29, 36, 39, & ! O \n & 2, 11, 5, 19, 23, 24, 25, 29, 36, 39, & ! 1 \n & 2, 11, 5, 19, 23, 24, 25, 29, 36, 39, & ! 2 \n & 2, 11, 5, 19, 23, 24, 25, 29, 36, 39, & ! 3 \n & 2, 11, 5, 19, 23, 24, 25, 29, 36, 39, & ! 4 \n & 39, 2, 11, 5, 19, 23, 24, 25, 29, 36, & ! 5 \n & 39, 2, 11, 5, 19, 23, 24, 25, 29, 36, & ! 6 \n & 39, 2, 11, 5, 19, 23, 24, 25, 29, 36, & ! 7 \n & 39, 2, 11, 5, 19, 23, 24, 25, 29, 36, & ! 8 \n & 39, 2, 11, 5, 19, 23, 24, 25, 29, 36, & ! 9 \n & 39, 96, 2, 11, 5, 19, 23, 24, 25, 29, & ! O \n & 36, 39, 2, 11, 5, 19, 23, 24, 25, 29, & ! 1 \n & 36, 39, 19, 31, 11, 31, 11, 31, 11, 31, & ! 2 \n & 55, 31, 11, 31, 11, 11, 19, 31, 11, 31, & ! 3 \n & 66, 11, 11, 11, 11, 11, 11, 11, 11, 11, & ! 4 \n & 31, 31, 31, 31, 31, 9, 31, 11, 31, 55, & ! 5 \n & 31, 11, 31, 55, 11, 11, 11, 31, 11, 133, & ! 6 \n & 1, 95, 1, 1, 1, 1, 1, 1, 1, 13, & ! 7 \n & 13, 55, 31, 11, 31, 55, 137, 138, 137, 139, & ! 8 \n & 140, 137, 137, 141, 142, 142, 142, 137, 143, 142, & ! 9 \n & 137, 142, 136, 144, 9, 136, 137, 141, 141, 141, & ! O \n & 141, 141, 141, 141, 141, 141, 141, 141, 141, 141, & ! 1 \n & 141, 141, 141, 31, 23, 141, 11, 29, 141, 25, & ! 2 \n & 2, 11, 5, 19, 23, 24, 25, 29, 36, 39, & ! 3 \n & 2, 11, 5, 19, 23, 24, 25, 29, 36, 39, & ! 4 \n & 2, 11, 5, 19, 23, 24, 25, 29, 36, 39, & ! 5 \n & 141, 31, 141, 31, 141, 141, 11, 31, 31, 31, & ! 6 \n & 31, 31, 141, 141, 141, 141, 141, 141, 141, 141, & ! 7 \n & 31, 31, 31, 141, 31, 2, 11, 2, 11, 2, & ! 8 \n & 11, 2, 11, 0, 0, 9, 5, 137, 9, 0, & ! 9 \n & 5, 137, 9, 4, 5, 3, 0, 137, 155, 84, & ! O \n & 161, 11, 11, 11, 19, 11, 9, 9, 164, 165, & ! 1 \n & 165, 166, 165, 165, 165, 19, 167, 1, 65, 87, & ! 2 \n & 87, 19, 69, 169, 66, 173, 66, 66, 19, 172, & ! 3 \n & 174, 87, 173, 87, 87, 19, 171, 176, 1, 1, & ! 4 \n & 40, 34, 170, 170, 19, 178, 178, 173, 178, 178, & ! 5 \n & 19, 170, 176, 170, 65, 170, 170, 19, 1, 65, & ! 6 \n & 11, 11, 11, 180, 87, 63, 87, 87, 19, 1, & ! 7 \n & 63, 11, 11, 19, 1, 34, 1, 20, 12, 12, & ! 8 \n & 13, 12, 12, 12, 163, 11, 69, 11, 20, 1, & ! 9 \n & 69, 170, 25, 25, 60, 25, 28, 163, 12, 54, & ! O \n & 183, 155, 184, 163, 163, 163, 163, 163, 9, 1, & ! 1 \n & 173, 164, 181, 96, 9, 141, 1, 185, 1, 20, & ! 2 \n & 12, 12, 13, 12, 12, 12, 12, 163, 186, 96, & ! 3 \n & 96, 96, 96, 96, 96, 96, 96, 96, 96, 96, & ! 4 \n & 96, 96, 96, 96, 96, 96, 96, 96, 96, 96, & ! 5 \n & 96, 96, 96, 96, 96, 96, 96, 96, 96, 96, & ! 6 \n & 96, 96, 96, 96, 96, 96, 163, 0, 0, 96, & ! 7 \n & 141, 11, 11, 10, 7, 7, 7, 7, 140, 140, & ! 8 \n & 140, 0, 194, 195, 196, 197, 199, 200, 200, 201, & ! 9 \n & 202, 201, 202, 7, 204, 204, 204, 208, 208, 208, & ! O \n & 212, 9, 214, 9, 9, 9, 9, 9, 9, 9, & ! 1 \n & 9, 9, 9, 9, 9, 7, 7, 230, 230/ !2 \n\n DATA ( IRR( IRXXN, 5 ), IRXXN = 1, NRXNS ) / & \n & 3, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 5, 0, 0, 1, 0, 3, 0, 0, 0, & ! 1 \n & 0, 0, 2, 0, 0, 1, 0, 1, 13, 0, & ! 2 \n & 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, & ! 3 \n & 0, 0, 0, 17, 0, 20, 0, 0, 11, 20, & ! 4 \n & 11, 0, 0, 0, 20, 0, 0, 0, 0, 20, & ! 5 \n & 0, 0, 0, 1, 1, 13, 28, 13, 20, 13, & ! 6 \n & 13, 13, 0, 1, 1, 23, 35, 23, 11, 31, & ! 7 \n & 31, 19, 31, 0, 1, 1, 13, 35, 13, 11, & ! 8 \n & 38, 38, 19, 23, 23, 0, 1, 1, 0, 19, & ! 9 \n & 0, 0, 23, 11, 0, 11, 11, 11, 11, 11, & ! O \n & 11, 11, 11, 9, 0, 9, 9, 9, 9, 9, & ! 1 \n & 9, 9, 9, 1, 0, 1, 1, 1, 1, 1, & ! 2 \n & 1, 1, 1, 19, 0, 19, 0, 19, 19, 19, & ! 3 \n & 19, 19, 19, 25, 0, 25, 25, 25, 25, 0, & ! 4 \n & 25, 25, 25, 29, 0, 29, 29, 29, 29, 29, & ! 5 \n & 0, 29, 29, 39, 0, 39, 39, 39, 39, 39, & ! 6 \n & 39, 39, 0, 41, 0, 41, 41, 41, 41, 41, & ! 7 \n & 41, 41, 41, 12, 0, 12, 12, 12, 12, 12, & ! 8 \n & 12, 12, 12, 12, 0, 12, 11, 0, 11, 25, & ! 9 \n & 23, 31, 29, 49, 19, 24, 23, 11, 13, 23, & ! O \n & 31, 9, 11, 23, 11, 23, 11, 11, 11, 11, & ! 1 \n & 12, 12, 11, 12, 25, 12, 0, 23, 38, 0, & ! 2 \n & 0, 0, 0, 0, 36, 23, 11, 19, 23, 11, & ! 3 \n & 0, 23, 11, 11, 0, 11, 57, 12, 23, 11, & ! 4 \n & 7, 25, 31, 25, 31, 31, 11, 25, 39, 9, & ! 5 \n & 39, 0, 9, 23, 13, 23, 33, 12, 12, 11, & ! 6 \n & 20, 0, 20, 20, 20, 20, 20, 20, 20, 20, & ! 7 \n & 54, 0, 54, 54, 54, 54, 54, 54, 54, 54, & ! 8 \n & 55, 0, 55, 55, 55, 55, 55, 55, 55, 55, & ! 9 \n & 43, 0, 43, 43, 43, 43, 43, 43, 43, 43, & ! O \n & 57, 0, 57, 57, 57, 57, 57, 57, 57, 57, & ! 1 \n & 66, 0, 66, 66, 66, 66, 66, 66, 66, 66, & ! 2 \n & 75, 0, 75, 75, 75, 75, 75, 75, 75, 75, & ! 3 \n & 69, 0, 69, 69, 69, 69, 69, 69, 69, 69, & ! 4 \n & 79, 0, 79, 79, 79, 79, 79, 79, 79, 79, & ! 5 \n & 80, 0, 80, 80, 80, 80, 80, 80, 80, 80, & ! 6 \n & 76, 0, 76, 76, 76, 76, 76, 76, 76, 76, & ! 7 \n & 77, 0, 77, 77, 77, 77, 77, 77, 77, 77, & ! 8 \n & 81, 0, 81, 81, 81, 81, 81, 81, 81, 81, & ! 9 \n & 83, 0, 83, 83, 83, 83, 83, 83, 83, 83, & ! O \n & 84, 0, 84, 84, 84, 84, 84, 84, 84, 84, & ! 1 \n & 70, 0, 70, 70, 70, 70, 70, 70, 70, 70, & ! 2 \n & 42, 0, 42, 42, 42, 42, 42, 42, 42, 42, & ! 3 \n & 95, 0, 95, 95, 95, 95, 95, 95, 95, 95, & ! 4 \n & 95, 0, 63, 0, 57, 57, 57, 0, 0, 0, & ! 5 \n & 0, 0, 65, 0, 66, 66, 66, 0, 0, 0, & ! 6 \n & 0, 0, 68, 0, 66, 66, 66, 0, 0, 0, & ! 7 \n & 0, 42, 0, 66, 66, 66, 66, 66, 66, 66, & ! 8 \n & 66, 95, 0, 66, 66, 66, 66, 66, 66, 66, & ! 9 \n & 66, 66, 87, 0, 87, 87, 87, 87, 87, 87, & ! O \n & 87, 87, 89, 0, 89, 89, 89, 89, 89, 89, & ! 1 \n & 89, 89, 0, 23, 9, 23, 31, 23, 9, 23, & ! 2 \n & 57, 23, 9, 47, 31, 9, 51, 50, 31, 47, & ! 3 \n & 105, 9, 9, 31, 31, 31, 31, 31, 31, 31, & ! 4 \n & 23, 23, 52, 48, 23, 123, 48, 31, 23, 57, & ! 5 \n & 23, 31, 47, 57, 31, 31, 31, 50, 31, 0, & ! 6 \n & 95, 0, 95, 95, 95, 95, 95, 95, 95, 20, & ! 7 \n & 20, 66, 50, 31, 47, 66, 0, 0, 2, 0, & ! 8 \n & 0, 1, 1, 0, 9, 0, 1, 1, 0, 1, & ! 9 \n & 5, 1, 5, 0, 137, 137, 0, 11, 11, 25, & ! O \n & 20, 29, 23, 23, 1, 11, 11, 12, 31, 36, & ! 1 \n & 9, 9, 9, 145, 24, 11, 12, 0, 29, 23, & ! 2 \n & 137, 0, 137, 137, 137, 137, 137, 137, 137, 137, & ! 3 \n & 148, 0, 148, 148, 148, 148, 148, 148, 148, 148, & ! 4 \n & 149, 0, 149, 149, 149, 149, 149, 149, 149, 149, & ! 5 \n & 19, 23, 31, 145, 31, 31, 12, 23, 23, 23, & ! 6 \n & 23, 23, 11, 31, 31, 31, 31, 31, 31, 31, & ! 7 \n & 23, 23, 23, 31, 145, 123, 151, 123, 151, 123, & ! 8 \n & 151, 123, 151, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 156, 83, & ! O \n & 9, 20, 20, 20, 13, 162, 11, 66, 0, 84, & ! 1 \n & 84, 0, 84, 84, 84, 13, 0, 87, 0, 69, & ! 2 \n & 69, 13, 75, 0, 170, 0, 170, 170, 13, 170, & ! 3 \n & 0, 163, 0, 163, 163, 13, 175, 7, 170, 170, & ! 4 \n & 0, 35, 12, 12, 13, 75, 75, 0, 75, 75, & ! 5 \n & 13, 12, 179, 75, 0, 75, 75, 13, 11, 0, & ! 6 \n & 87, 87, 87, 0, 25, 0, 25, 25, 13, 11, & ! 7 \n & 0, 163, 163, 13, 12, 35, 12, 11, 13, 13, & ! 8 \n & 19, 13, 13, 13, 12, 9, 11, 25, 13, 20, & ! 9 \n & 1, 1, 20, 20, 69, 1, 20, 1, 11, 13, & ! O \n & 9, 159, 0, 87, 87, 87, 87, 87, 11, 11, & ! 1 \n & 9, 9, 96, 23, 11, 96, 12, 35, 12, 11, & ! 2 \n & 13, 13, 19, 13, 13, 13, 13, 12, 0, 1, & ! 3 \n & 1, 12, 41, 39, 29, 25, 19, 1, 9, 11, & ! 4 \n & 89, 87, 66, 0, 0, 0, 42, 70, 84, 83, & ! 5 \n & 81, 77, 76, 80, 79, 69, 75, 66, 57, 43, & ! 6 \n & 55, 54, 20, 137, 149, 148, 12, 0, 0, 188, & ! 7 \n & 1, 31, 31, 7, 189, 190, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 211, 0, 213, 0, 216, 217, 217, 217, 217, 217, & ! 1 \n & 222, 222, 222, 222, 222, 228, 228, 0, 0/ !2 \n\n DATA ( IRR( IRXXN, 6 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 9, 0, 0, 0, 0, 7, 0, & ! 3 \n & 0, 0, 0, 18, 0, 11, 0, 0, 1, 0, & ! 4 \n & 0, 0, 0, 0, 22, 0, 0, 0, 0, 22, & ! 5 \n & 0, 0, 0, 0, 19, 1, 4, 1, 11, 0, & ! 6 \n & 0, 0, 0, 0, 23, 31, 4, 31, 23, 33, & ! 7 \n & 33, 23, 33, 0, 0, 13, 38, 4, 38, 23, & ! 8 \n & 13, 13, 38, 31, 13, 0, 0, 13, 0, 0, & ! 9 \n & 0, 0, 31, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 12, 0, 19, 0, & ! 9 \n & 31, 32, 0, 56, 12, 58, 31, 0, 0, 13, & ! O \n & 13, 19, 9, 24, 9, 24, 23, 23, 75, 0, & ! 1 \n & 0, 78, 12, 25, 0, 25, 0, 31, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 24, 23, 25, 24, 23, & ! 3 \n & 0, 24, 25, 23, 0, 23, 0, 66, 31, 23, & ! 4 \n & 23, 29, 49, 29, 1, 1, 20, 0, 23, 12, & ! 5 \n & 23, 0, 19, 13, 9, 32, 32, 13, 13, 12, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 11, 11, 11, 11, 11, 11, 11, & ! 8 \n & 11, 0, 0, 11, 11, 11, 11, 11, 11, 11, & ! 9 \n & 11, 11, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 56, 12, 59, 19, 24, 19, 24, & ! 2 \n & 0, 24, 12, 23, 51, 51, 23, 23, 9, 50, & ! 3 \n & 0, 12, 12, 9, 9, 9, 9, 9, 9, 23, & ! 4 \n & 33, 24, 23, 49, 24, 124, 23, 9, 24, 66, & ! 5 \n & 24, 9, 48, 66, 9, 9, 9, 23, 9, 0, & ! 6 \n & 23, 0, 23, 23, 23, 23, 23, 23, 23, 25, & ! 7 \n & 25, 105, 23, 9, 50, 135, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 12, 0, & ! O \n & 11, 23, 56, 24, 11, 23, 12, 25, 90, 0, & ! 1 \n & 23, 23, 11, 39, 58, 39, 23, 0, 0, 145, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 56, 23, 23, 145, 145, 0, 24, 24, 24, & ! 6 \n & 24, 24, 31, 23, 23, 52, 48, 23, 23, 145, & ! 7 \n & 24, 24, 24, 145, 49, 125, 0, 124, 0, 124, & ! 8 \n & 0, 124, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, & ! O \n & 83, 84, 84, 84, 11, 0, 163, 0, 0, 83, & ! 1 \n & 83, 0, 83, 83, 83, 165, 0, 69, 0, 75, & ! 2 \n & 75, 87, 9, 0, 163, 0, 163, 163, 66, 69, & ! 3 \n & 0, 20, 0, 20, 20, 87, 9, 177, 12, 12, & ! 4 \n & 0, 4, 13, 13, 170, 1, 1, 0, 173, 173, & ! 5 \n & 178, 9, 0, 12, 0, 12, 12, 170, 87, 0, & ! 6 \n & 69, 69, 69, 0, 69, 0, 69, 69, 87, 163, & ! 7 \n & 0, 12, 12, 11, 13, 4, 13, 12, 20, 20, & ! 8 \n & 12, 20, 20, 20, 1, 75, 60, 20, 1, 11, & ! 9 \n & 0, 0, 1, 1, 20, 87, 5, 12, 163, 0, & ! O \n & 0, 9, 0, 75, 75, 75, 75, 75, 20, 66, & ! 1 \n & 0, 165, 0, 7, 25, 23, 13, 4, 13, 12, & ! 2 \n & 20, 20, 12, 20, 20, 20, 20, 9, 0, 0, & ! 3 \n & 13, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 11, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 5, 0, 0, 0, & ! 7 \n & 11, 1, 1, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 9, 0, 9, 0, 0, 218, 218, 218, 218, 218, & ! 1 \n & 223, 223, 223, 223, 223, 0, 0, 0, 0/ !2 \n\n DATA ( IRR( IRXXN, 7 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 5, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 13, 0, 9, 0, 19, 0, & ! 6 \n & 0, 0, 0, 0, 31, 32, 9, 32, 31, 32, & ! 7 \n & 32, 31, 32, 0, 0, 38, 23, 9, 23, 38, & ! 8 \n & 0, 0, 23, 32, 0, 0, 0, 20, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 53, 33, 0, 32, 0, 31, 33, 0, 0, 31, & ! O \n & 33, 0, 0, 58, 0, 58, 24, 24, 69, 0, & ! 1 \n & 0, 0, 78, 0, 0, 0, 0, 67, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 58, 12, 39, 58, 12, & ! 3 \n & 0, 58, 23, 12, 0, 31, 0, 39, 24, 50, & ! 4 \n & 31, 12, 50, 23, 47, 23, 0, 0, 53, 13, & ! 5 \n & 24, 0, 39, 46, 0, 13, 13, 1, 5, 13, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 85, 13, 32, 23, 58, 12, 58, & ! 2 \n & 0, 58, 13, 24, 23, 23, 24, 24, 49, 23, & ! 3 \n & 0, 60, 13, 23, 23, 23, 23, 23, 23, 56, & ! 4 \n & 32, 58, 24, 23, 58, 125, 24, 23, 58, 0, & ! 5 \n & 58, 19, 23, 0, 23, 23, 23, 24, 49, 0, & ! 6 \n & 11, 0, 11, 11, 11, 11, 11, 11, 11, 23, & ! 7 \n & 23, 0, 24, 49, 23, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 33, 49, 58, 23, 24, 29, 0, 67, 0, & ! 1 \n & 55, 24, 23, 23, 31, 23, 145, 0, 0, 56, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 150, 24, 24, 23, 49, 0, 58, 58, 58, & ! 6 \n & 58, 58, 23, 33, 24, 23, 49, 24, 24, 48, & ! 7 \n & 58, 58, 58, 49, 50, 0, 0, 125, 0, 125, & ! 8 \n & 0, 125, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 157, & ! O \n & 84, 83, 83, 83, 20, 0, 69, 0, 0, 1, & ! 1 \n & 1, 0, 1, 1, 1, 84, 0, 75, 0, 163, & ! 2 \n & 163, 69, 20, 0, 171, 0, 171, 171, 170, 35, & ! 3 \n & 0, 11, 0, 11, 11, 163, 11, 0, 13, 13, & ! 4 \n & 0, 0, 11, 11, 12, 0, 173, 0, 0, 20, & ! 5 \n & 75, 11, 0, 173, 0, 173, 173, 75, 69, 0, & ! 6 \n & 75, 75, 75, 0, 20, 0, 20, 20, 25, 12, & ! 7 \n & 0, 20, 20, 69, 20, 9, 20, 13, 19, 19, & ! 8 \n & 20, 19, 19, 19, 0, 12, 9, 0, 0, 12, & ! 9 \n & 0, 0, 0, 0, 182, 0, 60, 11, 66, 0, & ! O \n & 0, 0, 0, 69, 69, 69, 69, 69, 84, 0, & ! 1 \n & 0, 0, 0, 31, 96, 24, 20, 0, 20, 13, & ! 2 \n & 19, 19, 20, 19, 19, 19, 19, 0, 0, 0, & ! 3 \n & 20, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 187, 0, 0, 0, & ! 7 \n & 23, 47, 23, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 219, 219, 219, 219, 219, & ! 1 \n & 226, 226, 226, 226, 226, 0, 0, 0, 0/ !2 \n\n DATA ( IRR( IRXXN, 8 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 5, 0, 19, 0, 13, 0, & ! 6 \n & 0, 0, 0, 0, 32, 33, 31, 33, 33, 13, & ! 7 \n & 13, 32, 13, 0, 0, 23, 0, 38, 0, 13, & ! 8 \n & 0, 0, 0, 33, 0, 0, 0, 25, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 33, 12, 0, 0, 0, 49, 32, 0, 0, 61, & ! O \n & 59, 0, 0, 55, 0, 66, 58, 58, 76, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 61, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 31, 13, 12, 31, 13, & ! 3 \n & 0, 31, 24, 13, 0, 12, 0, 0, 58, 12, & ! 4 \n & 24, 20, 23, 24, 23, 24, 0, 0, 56, 20, & ! 5 \n & 58, 0, 12, 56, 0, 46, 9, 0, 0, 75, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 32, 20, 0, 12, 56, 13, 32, & ! 2 \n & 0, 56, 20, 58, 24, 24, 58, 58, 50, 24, & ! 3 \n & 0, 75, 0, 24, 24, 24, 24, 24, 24, 54, & ! 4 \n & 0, 59, 58, 24, 56, 0, 58, 24, 33, 0, & ! 5 \n & 56, 49, 24, 0, 24, 24, 24, 98, 50, 0, & ! 6 \n & 29, 0, 29, 29, 29, 29, 29, 29, 29, 11, & ! 7 \n & 11, 0, 58, 50, 24, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 53, 32, 31, 24, 58, 0, 0, 0, 0, & ! 1 \n & 46, 58, 24, 24, 49, 24, 56, 0, 0, 32, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 58, 58, 24, 50, 0, 90, 90, 90, & ! 6 \n & 90, 90, 56, 32, 58, 24, 23, 58, 58, 23, & ! 7 \n & 64, 90, 90, 50, 51, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 158, & ! O \n & 11, 160, 160, 160, 84, 0, 87, 0, 0, 11, & ! 1 \n & 11, 0, 11, 11, 11, 83, 0, 163, 0, 168, & ! 2 \n & 168, 75, 87, 0, 172, 0, 172, 172, 163, 11, & ! 3 \n & 0, 175, 0, 175, 175, 20, 12, 0, 11, 11, & ! 4 \n & 0, 0, 0, 20, 11, 0, 0, 0, 0, 22, & ! 5 \n & 0, 13, 0, 1, 0, 11, 11, 12, 75, 0, & ! 6 \n & 163, 163, 163, 0, 11, 0, 11, 11, 69, 20, & ! 7 \n & 0, 69, 69, 163, 19, 20, 19, 19, 0, 0, & ! 8 \n & 0, 23, 38, 0, 0, 13, 19, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 5, 0, 69, 0, 0, 0, & ! O \n & 0, 0, 0, 9, 9, 9, 9, 9, 83, 0, & ! 1 \n & 0, 0, 0, 53, 23, 58, 19, 0, 19, 19, & ! 2 \n & 0, 0, 0, 23, 38, 0, 0, 0, 0, 0, & ! 3 \n & 25, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 188, 0, 0, 0, & ! 7 \n & 24, 23, 24, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 220, 220, 220, 220, 222, & ! 1 \n & 224, 224, 224, 224, 224, 0, 0, 0, 0/ !2 \n\n DATA ( IRR( IRXXN, 9 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 13, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 33, 13, 23, 13, 32, 0, & ! 7 \n & 0, 33, 0, 0, 0, 5, 0, 23, 0, 0, & ! 8 \n & 0, 0, 0, 38, 0, 0, 0, 5, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 32, 11, 0, 0, 0, 50, 0, 0, 0, 32, & ! O \n & 62, 0, 0, 31, 0, 31, 55, 66, 77, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 49, 75, 75, 49, 75, & ! 3 \n & 0, 49, 58, 20, 0, 13, 0, 0, 53, 13, & ! 4 \n & 58, 87, 24, 58, 24, 58, 0, 0, 33, 60, & ! 5 \n & 7, 0, 13, 32, 0, 33, 0, 0, 0, 4, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 60, 0, 53, 33, 20, 0, & ! 2 \n & 0, 99, 60, 56, 58, 58, 56, 53, 23, 58, & ! 3 \n & 0, 0, 0, 58, 58, 58, 58, 58, 58, 85, & ! 4 \n & 0, 88, 56, 58, 33, 0, 56, 58, 59, 0, & ! 5 \n & 33, 50, 58, 0, 58, 58, 58, 53, 23, 0, & ! 6 \n & 12, 0, 12, 12, 12, 12, 12, 12, 12, 1, & ! 7 \n & 1, 0, 53, 23, 58, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 31, 0, 49, 58, 55, 0, 0, 0, 0, & ! 1 \n & 31, 66, 58, 58, 146, 58, 32, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 99, 56, 58, 51, 0, 0, 0, 0, & ! 6 \n & 0, 0, 54, 0, 59, 58, 24, 56, 56, 24, & ! 7 \n & 0, 64, 64, 51, 23, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 20, & ! O \n & 20, 159, 159, 159, 83, 0, 75, 0, 0, 20, & ! 1 \n & 20, 0, 20, 20, 20, 1, 0, 168, 0, 35, & ! 2 \n & 35, 163, 12, 0, 60, 0, 60, 60, 171, 20, & ! 3 \n & 0, 171, 0, 171, 171, 11, 13, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 11, & ! 5 \n & 0, 75, 0, 11, 0, 0, 20, 173, 163, 0, & ! 6 \n & 66, 66, 19, 0, 171, 0, 57, 57, 20, 69, & ! 7 \n & 0, 66, 66, 12, 0, 25, 0, 0, 0, 0, & ! 8 \n & 0, 31, 23, 0, 0, 60, 13, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 163, 0, 0, 0, & ! O \n & 0, 0, 0, 11, 11, 11, 11, 11, 160, 0, & ! 1 \n & 0, 0, 0, 32, 12, 31, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 31, 23, 0, 0, 0, 0, 0, & ! 3 \n & 5, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 26, 0, 0, 0, & ! 7 \n & 98, 24, 98, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 221, 222, 222, 222, 223, & ! 1 \n & 225, 225, 225, 225, 225, 0, 0, 0, 0/ !2 \n\n DATA ( IRR( IRXXN, 10 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 13, 0, 13, 0, 13, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 13, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 56, 0, 0, 0, 0, & ! O \n & 32, 0, 0, 46, 0, 46, 66, 69, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 53, 69, 69, 53, 69, & ! 3 \n & 0, 53, 12, 69, 0, 20, 0, 0, 56, 20, & ! 4 \n & 53, 57, 58, 56, 58, 20, 0, 0, 71, 75, & ! 5 \n & 53, 0, 20, 0, 0, 31, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 56, 32, 54, 0, & ! 2 \n & 0, 82, 89, 93, 53, 12, 66, 56, 24, 53, & ! 3 \n & 0, 0, 0, 71, 71, 71, 71, 71, 71, 32, & ! 4 \n & 0, 32, 33, 53, 59, 0, 33, 12, 88, 0, & ! 5 \n & 59, 23, 56, 0, 71, 71, 71, 56, 24, 0, & ! 6 \n & 20, 0, 20, 20, 20, 20, 20, 20, 20, 29, & ! 7 \n & 29, 0, 56, 24, 53, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 32, 0, 50, 55, 66, 0, 0, 0, 0, & ! 1 \n & 56, 46, 66, 141, 32, 76, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 146, 99, 56, 23, 0, 0, 0, 0, & ! 6 \n & 0, 0, 85, 0, 88, 56, 58, 33, 33, 58, & ! 7 \n & 0, 0, 0, 23, 24, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 159, & ! O \n & 0, 129, 129, 129, 160, 0, 20, 0, 0, 159, & ! 1 \n & 159, 0, 159, 159, 159, 11, 0, 35, 0, 66, & ! 2 \n & 66, 168, 163, 0, 5, 0, 5, 5, 172, 12, & ! 3 \n & 0, 1, 0, 1, 1, 175, 60, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 1, 0, 0, 0, 0, 22, 11, 0, 0, & ! 6 \n & 20, 0, 13, 0, 1, 0, 22, 0, 11, 175, & ! 7 \n & 0, 22, 0, 20, 0, 13, 0, 0, 0, 0, & ! 8 \n & 0, 32, 0, 0, 0, 20, 12, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, & ! O \n & 0, 0, 0, 13, 13, 13, 13, 13, 159, 0, & ! 1 \n & 0, 0, 0, 0, 20, 53, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 32, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 20, 0, 0, 0, & ! 7 \n & 55, 98, 20, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 222, 223, 223, 223, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0/ !2 \n\n DATA ( IRR( IRXXN, 11 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 5, 0, 33, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 33, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 56, 0, 33, 31, 70, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 59, 50, 0, 59, 50, & ! 3 \n & 0, 71, 13, 60, 0, 69, 0, 0, 85, 57, & ! 4 \n & 56, 0, 20, 33, 56, 56, 0, 0, 32, 0, & ! 5 \n & 86, 0, 28, 0, 0, 59, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 54, 0, 60, 0, & ! 2 \n & 0, 32, 84, 82, 99, 13, 67, 59, 58, 56, & ! 3 \n & 0, 0, 0, 45, 61, 61, 61, 61, 61, 0, & ! 4 \n & 0, 0, 59, 56, 88, 0, 85, 13, 86, 0, & ! 5 \n & 88, 24, 33, 0, 61, 61, 61, 59, 98, 0, & ! 6 \n & 87, 0, 87, 87, 87, 87, 87, 87, 87, 12, & ! 7 \n & 12, 0, 59, 58, 56, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 56, 57, 31, 0, 0, 0, 0, & ! 1 \n & 33, 31, 69, 53, 0, 77, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 147, 82, 93, 24, 0, 0, 0, 0, & ! 6 \n & 0, 0, 32, 0, 32, 33, 53, 59, 59, 56, & ! 7 \n & 0, 0, 0, 24, 58, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 129, & ! O \n & 0, 66, 66, 66, 159, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 157, 157, 157, 20, 0, 66, 0, 12, & ! 2 \n & 12, 35, 35, 0, 20, 0, 20, 20, 60, 9, & ! 3 \n & 0, 0, 0, 173, 173, 171, 20, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 69, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 22, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 33, 0, 0, 0, 0, 28, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 13, 0, 0, 0, & ! O \n & 0, 0, 0, 20, 20, 20, 20, 20, 129, 0, & ! 1 \n & 0, 0, 0, 0, 49, 82, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 33, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 11, 0, 0, 0, & ! 7 \n & 57, 56, 56, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 223, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0/ !2 \n\n DATA ( IRR( IRXXN, 12 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 32, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 59, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 33, 0, 59, 33, 31, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 72, 56, 0, 72, 56, & ! 3 \n & 0, 61, 75, 50, 0, 60, 0, 0, 59, 75, & ! 4 \n & 59, 0, 56, 59, 33, 54, 0, 0, 0, 0, & ! 5 \n & 32, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 71, 0, 28, 0, & ! 2 \n & 0, 0, 66, 86, 73, 20, 0, 88, 12, 59, & ! 3 \n & 0, 0, 0, 73, 45, 45, 62, 45, 62, 0, & ! 4 \n & 0, 0, 88, 33, 72, 0, 59, 20, 32, 0, & ! 5 \n & 72, 58, 59, 0, 45, 62, 62, 88, 12, 0, & ! 6 \n & 55, 0, 55, 55, 55, 55, 55, 55, 55, 87, & ! 7 \n & 87, 0, 88, 12, 33, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 33, 66, 49, 0, 0, 0, 0, & ! 1 \n & 59, 33, 70, 56, 0, 31, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 32, 32, 82, 58, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 59, 56, 88, 99, 33, & ! 7 \n & 0, 0, 0, 58, 141, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 160, & ! O \n & 0, 22, 0, 0, 129, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 22, 0, 0, 159, 0, 12, 0, 11, & ! 2 \n & 11, 66, 13, 0, 87, 0, 87, 87, 5, 13, & ! 3 \n & 0, 0, 0, 22, 0, 1, 173, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 60, 60, 60, 60, 60, 0, 0, & ! 1 \n & 0, 0, 0, 0, 56, 146, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 66, 33, 54, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 224, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0/ !2 \n\n DATA ( IRR( IRXXN, 13 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 32, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 59, 0, 64, 59, 46, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 71, 67, 0, 71, 67, & ! 3 \n & 0, 62, 69, 56, 0, 50, 0, 0, 72, 69, & ! 4 \n & 61, 0, 54, 67, 55, 33, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 32, 0, 0, 0, & ! 2 \n & 0, 0, 0, 32, 74, 56, 0, 61, 53, 88, & ! 3 \n & 0, 0, 0, 74, 90, 90, 45, 90, 45, 0, & ! 4 \n & 0, 0, 72, 59, 64, 0, 88, 33, 67, 0, & ! 5 \n & 93, 12, 88, 0, 73, 45, 45, 72, 13, 0, & ! 6 \n & 43, 0, 43, 43, 43, 43, 43, 43, 43, 55, & ! 7 \n & 55, 0, 72, 13, 59, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 59, 42, 50, 0, 0, 0, 0, & ! 1 \n & 72, 59, 31, 71, 0, 53, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 146, 53, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 88, 33, 72, 93, 59, & ! 7 \n & 0, 0, 0, 53, 53, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 11, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 11, 0, 20, & ! 2 \n & 0, 12, 11, 0, 1, 0, 1, 1, 20, 1, & ! 3 \n & 0, 0, 0, 0, 0, 0, 163, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 12, 12, 12, 12, 12, 0, 0, & ! 1 \n & 0, 0, 0, 0, 32, 147, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 95, 55, 33, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 225, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0/ !2 \n\n DATA ( IRR( IRXXN, 14 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 64, 0, 32, 64, 59, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 61, 0, 0, 61, 0, & ! 3 \n & 0, 73, 76, 32, 0, 56, 0, 0, 64, 60, & ! 4 \n & 86, 0, 33, 0, 59, 55, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 66, 60, 0, 62, 13, 61, & ! 3 \n & 0, 0, 0, 81, 73, 73, 90, 73, 90, 0, & ! 4 \n & 0, 0, 32, 88, 67, 0, 99, 55, 0, 0, & ! 5 \n & 82, 13, 72, 0, 74, 90, 90, 61, 20, 0, & ! 6 \n & 83, 0, 83, 83, 83, 83, 83, 83, 83, 43, & ! 7 \n & 43, 0, 61, 20, 88, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 32, 47, 56, 0, 0, 0, 0, & ! 1 \n & 32, 64, 46, 146, 0, 56, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 67, 56, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 72, 59, 64, 82, 88, & ! 7 \n & 0, 0, 0, 56, 56, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 22, & ! 2 \n & 0, 11, 25, 0, 11, 0, 11, 11, 87, 163, & ! 3 \n & 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 1, 66, 66, 19, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 32, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 47, 59, 55, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0/ !2 \n\n DATA ( IRR( IRXXN, 15 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 32, 0, 0, 67, 71, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 67, 0, 0, 67, 0, & ! 3 \n & 0, 74, 77, 0, 0, 32, 0, 0, 71, 35, & ! 4 \n & 67, 0, 55, 0, 88, 59, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 32, 83, 0, 67, 56, 86, & ! 3 \n & 0, 0, 0, 97, 74, 74, 73, 74, 73, 0, & ! 4 \n & 0, 0, 67, 72, 0, 0, 92, 59, 0, 0, & ! 5 \n & 64, 20, 86, 0, 81, 73, 73, 62, 56, 0, & ! 6 \n & 84, 0, 84, 84, 84, 84, 84, 84, 84, 83, & ! 7 \n & 83, 0, 62, 56, 92, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 31, 33, 0, 0, 0, 0, & ! 1 \n & 0, 67, 59, 32, 0, 61, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 59, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 32, 88, 67, 146, 72, & ! 7 \n & 0, 0, 0, 59, 59, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 173, 173, 1, 87, & ! 3 \n & 0, 0, 0, 0, 0, 0, 79, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 22, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 31, 88, 59, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0/ !2 \n\n DATA ( IRR( IRXXN, 16 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 72, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 82, 81, 0, 0, 0, 0, 0, 61, 85, & ! 4 \n & 0, 0, 59, 0, 57, 88, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 84, 0, 105, 59, 67, & ! 3 \n & 0, 0, 0, 108, 81, 81, 74, 81, 74, 0, & ! 4 \n & 0, 0, 0, 64, 0, 0, 93, 88, 0, 0, & ! 5 \n & 32, 56, 32, 0, 64, 74, 74, 93, 59, 0, & ! 6 \n & 70, 0, 70, 70, 70, 70, 70, 70, 70, 84, & ! 7 \n & 84, 0, 93, 59, 93, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 56, 59, 0, 0, 0, 0, & ! 1 \n & 0, 0, 71, 0, 0, 73, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 88, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 67, 72, 0, 147, 92, & ! 7 \n & 0, 0, 0, 88, 88, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 22, 0, 11, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 56, 57, 88, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0/ !2 \n\n DATA ( IRR( IRXXN, 17 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 61, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 67, 83, 0, 0, 0, 0, 0, 67, 56, & ! 4 \n & 0, 0, 72, 0, 72, 57, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 70, 0, 0, 88, 0, & ! 3 \n & 0, 0, 0, 0, 67, 67, 81, 91, 81, 0, & ! 4 \n & 0, 0, 0, 67, 0, 0, 82, 57, 0, 0, & ! 5 \n & 67, 54, 67, 0, 67, 81, 81, 82, 88, 0, & ! 6 \n & 0, 0, 0, 22, 0, 0, 19, 13, 13, 70, & ! 7 \n & 70, 0, 82, 88, 82, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 33, 72, 0, 0, 0, 0, & ! 1 \n & 0, 0, 72, 0, 0, 74, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 71, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 64, 0, 32, 93, & ! 7 \n & 0, 0, 0, 71, 71, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 33, 72, 57, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0/ !2 \n\n DATA ( IRR( IRXXN, 18 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 73, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 84, 0, 0, 0, 0, 0, 0, 67, & ! 4 \n & 0, 0, 66, 0, 66, 72, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 66, 0, 0, 57, 0, & ! 3 \n & 0, 0, 0, 0, 97, 97, 67, 67, 91, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 64, 60, 0, 0, & ! 5 \n & 0, 33, 0, 0, 110, 91, 91, 64, 57, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 13, 31, 38, 95, & ! 7 \n & 95, 0, 64, 57, 86, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 59, 64, 0, 0, 0, 0, & ! 1 \n & 0, 0, 61, 0, 0, 82, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 62, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 67, 0, 67, 82, & ! 7 \n & 0, 0, 0, 62, 62, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 59, 66, 72, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0/ !2 \n\n DATA ( IRR( IRXXN, 19 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 74, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 70, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 64, 0, 64, 66, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 67, 0, 0, 71, 0, & ! 3 \n & 0, 0, 0, 0, 110, 112, 97, 97, 67, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 32, 35, 0, 0, & ! 5 \n & 0, 55, 0, 0, 0, 64, 64, 67, 60, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 33, 0, 0, & ! 7 \n & 0, 0, 67, 60, 67, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 88, 67, 0, 0, 0, 0, & ! 1 \n & 0, 0, 73, 0, 0, 146, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 93, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 146, & ! 7 \n & 0, 0, 0, 93, 93, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 88, 64, 66, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0/ !2 \n\n DATA ( IRR( IRXXN, 20 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 67, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 31, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 67, 0, 42, 64, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 62, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 112, 112, 97, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 67, 66, 0, 0, & ! 5 \n & 0, 59, 0, 0, 0, 67, 67, 105, 35, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 32, 0, 0, & ! 7 \n & 0, 0, 135, 35, 135, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 72, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 74, 0, 0, 147, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 82, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 147, & ! 7 \n & 0, 0, 0, 82, 82, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 72, 95, 64, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0/ !2 \n\n DATA ( IRR( IRXXN, 21 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 50, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 86, 32, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 66, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 112, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 32, 0, 0, & ! 5 \n & 0, 43, 0, 0, 0, 112, 131, 0, 61, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 61, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 64, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 67, 0, 0, 67, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 73, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 32, & ! 7 \n & 0, 0, 0, 73, 73, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 64, 94, 32, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0/ !2 \n\n DATA ( IRR( IRXXN, 22 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 56, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 32, 67, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 67, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 67, 0, 0, & ! 5 \n & 0, 57, 0, 0, 0, 0, 0, 0, 62, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 62, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 86, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 74, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 67, & ! 7 \n & 0, 0, 0, 74, 74, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 94, 32, 67, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0/ !2 \n\n DATA ( IRR( IRXXN, 23 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 61, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 67, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 105, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 72, 0, 0, 0, 0, 0, 0, 92, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 92, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 67, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 91, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 91, 91, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 67, 67, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0/ !2 \n\n DATA ( IRR( IRXXN, 24 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 67, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 60, 0, 0, 0, 0, 0, 0, 82, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 82, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 146, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 146, 146, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0/ !2 \n\n DATA ( IRR( IRXXN, 25 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 28, 0, 0, 0, 0, 0, 0, 66, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 66, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 67, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 67, 67, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0/ !2 \n\n DATA ( IRR( IRXXN, 26 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 35, 0, 0, 0, 0, 0, 0, 67, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 67, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0/ !2 \n\n DATA ( IRR( IRXXN, 27 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 66, 0, 0, 0, 0, 0, 0, 105, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 135, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0/ !2 \n\n DATA ( IRR( IRXXN, 28 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 32, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0/ !2 \n\n DATA ( IRR( IRXXN, 29 ), IRXXN = 1, NRXNS ) / & \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 67, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 2 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 3 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 4 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 6 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 7 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 8 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 9 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! O \n & 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1 \n & 0, 0, 0, 0, 0, 0, 0, 0, 0/ !2 \n\n DATA ( RTDAT( 1,IRXXN ), IRXXN = 1, NRXNS ) / & \n & 1.0000D+00, 5.6800D-34, 8.0000D-12, 9.0000D-32, 5.5000D-12, & ! O \n & 2.5000D-31, 3.0000D-12, 1.4000D-13, 1.8000D-11, 3.3000D-39, & ! + \n & 3.6000D-30, 1.3000D-03, 1.0000D-22, 0.0000D+00, 4.5000D-14, & ! 1 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.6300D-10, & ! + \n & 2.3800D-11, 7.0000D-31, 1.0000D+00, 2.5000D-12, 3.2000D-30, & ! 2 \n & 2.0000D-11, 2.4000D-14, 1.0000D+00, 1.4400D-13, 1.7000D-12, & ! + \n & 3.6000D-12, 2.0000D-31, 3.7200D-05, 1.0000D+00, 1.3000D-12, & ! 3 \n & 2.0300D-16, 2.2000D-13, 3.0800D-34, 4.0000D-12, 8.5000D-13, & ! + \n & 1.0000D+00, 1.8000D-12, 4.8000D-11, 3.3000D-31, 7.7000D-12, & ! 4 \n & 2.3000D-12, 3.4600D-13, 3.3400D-14, 1.3000D-12, 6.3900D-14, & ! + \n & 7.4000D-13, 2.6000D-12, 3.8000D-13, 2.3000D-12, 2.0000D-13, & ! 5 \n & 3.5000D-14, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 2.7000D-28, 4.9000D-03, 1.0000D+00, & ! 6 \n & 7.5000D-12, 5.2000D-13, 1.0000D+00, 2.0000D-12, 4.4000D-13, & ! + \n & 1.0000D+00, 2.9000D-12, 1.2100D-11, 8.3000D+16, 1.0000D+00, & ! 7 \n & 6.7000D-12, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.3700D-11, 7.9000D+16, & ! 8 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 9 \n & 1.0000D+00, 1.6000D+16, 1.0000D+00, 2.4000D-11, 7.5000D+14, & ! + \n & 2.3000D-11, 1.0000D+00, 1.0000D-03, 1.0000D+00, 1.0000D+00, & ! O \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 1 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 2 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 3 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 4 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 5 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 6 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 7 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 8 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 9 \n & 5.4000D-12, 2.0000D-12, 4.4000D-12, 1.0000D+00, 1.4000D-12, & ! + \n & 5.1000D-12, 1.0000D+00, 1.4000D-12, 4.5600D-14, 5.0000D-01, & ! O \n & 1.3000D-12, 1.7500D-01, 2.8500D-12, 4.5000D-13, 4.2000D-14, & ! + \n & 1.2000D-12, 3.8000D-12, 1.0000D+00, 2.5000D-11, 1.0000D+00, & ! 1 \n & 5.6000D-11, 1.0000D+00, 1.4100D-10, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 3.1000D-12, 2.8000D-12, 1.0000D+00, 1.5000D-11, & ! 2 \n & 1.4000D-12, 1.0000D+00, 1.7000D-12, 1.4000D-11, 3.5000D-12, & ! + \n & 1.5000D-03, 1.5000D-02, 1.2000D-11, 6.0000D-02, 1.3400D-12, & ! 3 \n & 7.4000D-11, 9.6600D-18, 1.0000D+00, 7.4000D-11, 9.6600D-18, & ! + \n & 1.0000D+00, 9.3500D-11, 1.4300D-17, 1.4000D-15, 6.3400D-12, & ! 4 \n & 8.5000D-16, 4.3200D-12, 1.0000D+00, 6.1900D-11, 4.1800D-18, & ! + \n & 1.0000D-13, 1.0000D+00, 1.5500D-11, 4.8600D-03, 7.2000D-12, & ! 5 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.9900D-11, 1.4000D-15, & ! + \n & 1.1800D-15, 2.3700D-12, 1.0000D+00, 5.2800D-12, 1.0000D+00, & ! 6 \n & 6.4200D-12, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 7 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 8 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 9 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! O \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 1 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 2 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 3 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 4 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 5 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 6 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 7 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 8 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 9 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! O \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 1 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 2 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 3 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 2.6500D-13, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 4 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 5 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 6 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 7 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 8 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 2.6500D-13, 1.0000D+00, 1.0000D+00, & ! 9 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! O \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 1 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.8500D-12, 1.0000D-28, 9.1400D-15, & ! 2 \n & 3.3000D-12, 1.0700D-11, 4.8500D-12, 5.5100D-15, 4.5900D-13, & ! + \n & 1.0200D-11, 1.4800D-11, 1.3400D-14, 1.0000D-13, 2.2600D-11, & ! 3 \n & 7.8600D-15, 3.5000D-11, 1.2100D-11, 5.0000D-16, 1.1900D-12, & ! + \n & 3.2000D-11, 5.5000D-30, 1.0000D-14, 2.3300D-12, 1.8100D-12, & ! 4 \n & 2.3100D-11, 1.3600D-11, 1.4300D-11, 3.2500D-11, 5.4900D-13, & ! + \n & 1.3400D-12, 1.4900D-12, 1.5100D-12, 3.7500D-12, 2.7000D-12, & ! 5 \n & 2.7000D-12, 6.7200D-12, 3.1900D-15, 5.3700D-13, 1.6100D-11, & ! + \n & 1.2600D-11, 8.5900D-15, 2.3100D-13, 1.4300D-11, 7.8400D-12, & ! 6 \n & 3.0900D-11, 3.0900D-11, 2.2700D-11, 8.2800D-16, 1.3300D-12, & ! + \n & 1.0000D+00, 2.6500D-13, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 7 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 4.0200D-11, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 8 \n & 1.0000D+00, 1.0000D+00, 7.6000D-32, 1.0000D+00, 1.3000D-30, & ! + \n & 1.8000D-31, 1.0000D+00, 1.0000D+00, 3.4400D-11, 9.4100D-12, & ! 9 \n & 2.8000D-11, 2.4000D-11, 6.2000D-12, 1.8000D-31, 1.0000D+00, & ! + \n & 1.0000D+00, 4.4800D-05, 6.2000D-12, 2.2000D-12, 1.0000D+00, & ! O \n & 1.2500D-11, 1.7000D-12, 3.9000D-11, 8.1000D-11, 8.0000D-11, & ! + \n & 5.5000D-11, 1.2300D-10, 7.7000D-11, 3.6000D-11, 1.9200D-10, & ! 1 \n & 2.0000D-10, 8.1000D-11, 8.0000D-11, 6.2000D-11, 8.0000D-11, & ! + \n & 1.6600D-10, 3.0000D-10, 4.2900D-10, 2.9400D-10, 2.3200D-10, & ! 2 \n & 4.1200D-10, 1.0000D+00, 3.1000D-12, 1.2900D-11, 5.0000D-01, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 3 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 4 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 5 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 7.3000D-12, 1.6000D-29, 2.6700D-10, 4.9000D-10, 4.8000D-10, & ! 6 \n & 5.4600D-10, 5.2000D-30, 6.2000D-11, 1.3500D-10, 1.4000D-10, & ! + \n & 1.4400D-10, 2.4200D-10, 8.6000D-11, 8.3000D-11, 1.2000D-10, & ! 7 \n & 1.8600D-10, 2.6300D-10, 4.2100D-10, 3.9200D-10, 3.7700D-10, & ! + \n & 2.1600D-10, 2.6600D-10, 2.6600D-10, 5.4600D-10, 1.0000D+00, & ! 8 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 9 \n & 5.4000D-12, 2.0000D-12, 8.1000D-11, 4.4000D-12, 1.0000D+00, & ! + \n & 1.4000D-12, 8.0000D-11, 1.9900D-11, 1.4000D-15, 1.1800D-15, & ! O \n & 2.3700D-12, 1.0000D+00, 2.9400D-10, 2.5400D-11, 2.6000D-12, & ! + \n & 2.0600D-13, 1.8000D-12, 6.8000D-13, 2.3000D-12, 4.4000D-13, & ! 1 \n & 4.0700D+08, 1.0000D+00, 4.6000D-11, 3.0300D-12, 2.3000D-12, & ! + \n & 2.6000D-12, 2.0600D-13, 1.3000D-12, 6.0400D-13, 1.2000D-12, & ! 2 \n & 4.4000D-13, 1.4200D-11, 2.6000D-12, 2.0600D-13, 2.0000D-13, & ! + \n & 3.5000D-14, 4.4000D-13, 3.9400D-15, 1.2000D-11, 2.4000D-12, & ! 3 \n & 2.0600D-13, 2.0000D-13, 3.5000D-14, 4.4000D-13, 2.9000D-17, & ! + \n & 2.4000D-12, 2.4000D-12, 2.0600D-13, 2.0000D-13, 3.5000D-14, & ! 4 \n & 4.4000D-13, 3.7000D-19, 3.1500D-13, 4.0000D-12, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 5 \n & 2.3000D-12, 2.6000D-12, 2.0600D-13, 3.5000D-14, 2.0000D-13, & ! + \n & 4.4000D-13, 4.1500D-15, 7.4800D-12, 2.6000D-12, 2.0600D-13, & ! 6 \n & 3.5000D-14, 2.0000D-13, 4.4000D-13, 2.6000D-12, 2.0600D-13, & ! + \n & 2.0000D-13, 3.5000D-14, 4.4000D-13, 2.6000D-12, 2.6000D-12, & ! 7 \n & 1.8200D-13, 2.0000D-13, 3.5000D-14, 4.4000D-13, 2.6000D-12, & ! + \n & 1.8200D-13, 2.0000D-13, 3.5000D-14, 4.4000D-13, 6.7000D-12, & ! 8 \n & 1.0000D+00, 4.0000D-12, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 2.9000D-11, & ! 9 \n & 8.0000D-12, 2.1500D-12, 1.7500D-01, 2.9400D-12, 1.0000D+00, & ! + \n & 4.0000D-13, 4.0000D-13, 1.0000D+00, 1.0000D+00, 3.5000D-12, & ! O \n & 1.0000D+00, 1.2800D-11, 1.0000D+00, 1.0000D-11, 1.0000D+00, & ! + \n & 1.9000D-11, 4.7500D-12, 5.7800D-11, 2.0600D-13, 2.6000D-12, & ! 1 \n & 2.0000D-13, 3.5000D-14, 4.4000D-13, 1.0000D+00, 8.0000D-12, & ! + \n & 5.0000D-11, 3.8000D-12, 8.0000D-12, 1.5000D-12, 1.0000D+00, & ! 2 \n & 3.8500D-10, 6.7000D-12, 1.0000D+00, 4.0000D-12, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 3 \n & 1.0000D+00, 1.0000D+00, 2.9000D+07, 1.0000D+00, 1.6000D+16, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 4 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 5 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 6 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 7 \n & 1.0000D+00, 3.0000D-11, 1.0000D-12, 4.4000D-12, 1.6600D-11, & ! + \n & 1.9200D-10, 7.2000D-12, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 8 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 6.7006D-11, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 9 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 9.4882D-06, & ! O \n & 9.4882D-06, 9.4882D-06, 9.4882D-06, 9.4882D-06, 9.4882D-06, & ! + \n & 2.5000D-12, 1.0000D+00, 2.5000D-12, 1.0000D+00, 1.2500D-11, & ! 1 \n & 4.0000D-11, 4.0000D-11, 4.0000D-11, 4.0000D-11, 4.0000D-11, & ! + \n & 4.0000D-11, 4.0000D-11, 4.0000D-11, 4.0000D-11, 4.0000D-11, & ! 2 \n & 9.2590D-05, 9.2590D-05, 1.0000D+00, 1.0000D+00/ !+ \n\n DATA ( RTDAT( 2,IRXXN ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00,-2.6000D+00, 0.0000D+00,-1.5000D+00, 0.0000D+00, & ! O \n & -1.8000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & -4.1000D+00,-3.5000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00,-2.6000D+00, 0.0000D+00, 0.0000D+00,-4.5000D+00, & ! 2 \n & 0.0000D+00, 4.6000D+02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00,-3.4000D+00,-2.4000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 4.5700D+00, 6.0000D+02, 2.8000D+03, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00,-4.3000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 3.6000D-01,-3.5300D+00, 0.0000D+00,-1.8000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 5.2000D+01, 5.3000D+01, 5.4000D+01, 5.5000D+01, & ! + \n & 5.6000D+01, 5.6000D+01,-7.1000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 5.4000D+01, 0.0000D+00, 0.0000D+00, & ! + \n & 7.0000D+01, 0.0000D+00,-1.0700D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 6.7000D+01, 5.4000D+01, 6.9000D+01, 7.0000D+01, & ! + \n & 7.0000D+01, 7.2000D+01, 7.2000D+01, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 7.6000D+01, 6.7000D+01, 5.4000D+01, 6.9000D+01, & ! + \n & 7.0000D+01, 7.0000D+01, 7.2000D+01, 7.2000D+01, 7.2000D+01, & ! 9 \n & 7.3000D+01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 5.3000D+01, 0.0000D+00, 5.2000D+01, 5.3000D+01, & ! O \n & 5.4000D+01, 5.5000D+01, 5.6000D+01, 5.6000D+01, 7.0000D+01, & ! + \n & 7.0000D+01, 7.0000D+01, 7.0000D+01, 5.2000D+01, 5.3000D+01, & ! 1 \n & 5.4000D+01, 5.5000D+01, 5.6000D+01, 5.6000D+01, 7.0000D+01, & ! + \n & 7.0000D+01, 7.0000D+01, 7.0000D+01, 5.2000D+01, 5.3000D+01, & ! 2 \n & 5.4000D+01, 5.5000D+01, 5.6000D+01, 5.6000D+01, 7.0000D+01, & ! + \n & 7.0000D+01, 7.0000D+01, 7.0000D+01, 5.2000D+01, 5.3000D+01, & ! 3 \n & 5.4000D+01, 5.5000D+01, 5.6000D+01, 5.6000D+01, 7.0000D+01, & ! + \n & 7.0000D+01, 7.0000D+01, 7.0000D+01, 5.2000D+01, 5.3000D+01, & ! 4 \n & 5.4000D+01, 5.5000D+01, 5.6000D+01, 5.6000D+01, 7.0000D+01, & ! + \n & 7.0000D+01, 7.0000D+01, 7.0000D+01, 5.2000D+01, 5.3000D+01, & ! 5 \n & 5.4000D+01, 5.5000D+01, 5.6000D+01, 5.6000D+01, 7.0000D+01, & ! + \n & 7.0000D+01, 7.0000D+01, 7.0000D+01, 5.2000D+01, 5.3000D+01, & ! 6 \n & 5.4000D+01, 5.5000D+01, 5.6000D+01, 5.6000D+01, 7.0000D+01, & ! + \n & 7.0000D+01, 7.0000D+01, 7.0000D+01, 5.2000D+01, 5.3000D+01, & ! 7 \n & 5.4000D+01, 5.5000D+01, 5.6000D+01, 5.6000D+01, 7.0000D+01, & ! + \n & 7.0000D+01, 7.0000D+01, 7.0000D+01, 5.2000D+01, 5.3000D+01, & ! 8 \n & 5.4000D+01, 5.5000D+01, 5.6000D+01, 5.6000D+01, 7.0000D+01, & ! + \n & 7.0000D+01, 7.0000D+01, 7.0000D+01, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.6500D+00, 0.0000D+00, & ! O \n & 2.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 2.0000D+02, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 7.6000D+01, 7.3000D+01, 6.7000D+01, & ! + \n & 5.2000D+01, 5.3000D+01, 5.4000D+01, 5.5000D+01, 5.6000D+01, & ! 7 \n & 5.6000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, & ! + \n & 5.2000D+01, 5.3000D+01, 5.4000D+01, 5.5000D+01, 5.6000D+01, & ! 8 \n & 5.6000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, & ! + \n & 5.2000D+01, 5.3000D+01, 5.4000D+01, 5.5000D+01, 5.6000D+01, & ! 9 \n & 5.6000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, & ! + \n & 5.2000D+01, 5.3000D+01, 5.4000D+01, 5.5000D+01, 5.6000D+01, & ! O \n & 5.6000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, & ! + \n & 5.2000D+01, 5.3000D+01, 5.4000D+01, 5.5000D+01, 5.6000D+01, & ! 1 \n & 5.6000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, & ! + \n & 5.2000D+01, 5.3000D+01, 5.4000D+01, 5.5000D+01, 5.6000D+01, & ! 2 \n & 5.6000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, & ! + \n & 5.2000D+01, 5.3000D+01, 5.4000D+01, 5.5000D+01, 5.6000D+01, & ! 3 \n & 5.6000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, & ! + \n & 5.2000D+01, 5.3000D+01, 5.4000D+01, 5.5000D+01, 5.6000D+01, & ! 4 \n & 5.6000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, & ! + \n & 5.2000D+01, 5.3000D+01, 5.4000D+01, 5.5000D+01, 5.6000D+01, & ! 5 \n & 5.6000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, & ! + \n & 5.2000D+01, 5.3000D+01, 5.4000D+01, 5.5000D+01, 5.6000D+01, & ! 6 \n & 5.6000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, & ! + \n & 5.2000D+01, 5.3000D+01, 5.4000D+01, 5.5000D+01, 5.6000D+01, & ! 7 \n & 5.6000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, & ! + \n & 5.2000D+01, 5.3000D+01, 5.4000D+01, 5.5000D+01, 5.6000D+01, & ! 8 \n & 5.6000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, & ! + \n & 5.2000D+01, 5.3000D+01, 5.4000D+01, 5.5000D+01, 5.6000D+01, & ! 9 \n & 5.6000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, & ! + \n & 5.2000D+01, 5.3000D+01, 5.4000D+01, 5.5000D+01, 5.6000D+01, & ! O \n & 5.6000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, & ! + \n & 5.2000D+01, 5.3000D+01, 5.4000D+01, 5.5000D+01, 5.6000D+01, & ! 1 \n & 5.6000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, & ! + \n & 5.2000D+01, 5.3000D+01, 5.4000D+01, 5.5000D+01, 5.6000D+01, & ! 2 \n & 5.6000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, & ! + \n & 5.2000D+01, 5.3000D+01, 5.4000D+01, 5.5000D+01, 5.6000D+01, & ! 3 \n & 5.6000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, & ! + \n & 5.2000D+01, 0.0000D+00, 5.4000D+01, 5.5000D+01, 5.6000D+01, & ! 4 \n & 5.6000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, & ! + \n & 7.0000D+01, 5.2000D+01, 5.3000D+01, 5.4000D+01, 5.5000D+01, & ! 5 \n & 5.6000D+01, 5.6000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, & ! + \n & 7.0000D+01, 5.2000D+01, 5.3000D+01, 5.4000D+01, 5.5000D+01, & ! 6 \n & 5.6000D+01, 5.6000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, & ! + \n & 7.0000D+01, 5.2000D+01, 5.3000D+01, 5.4000D+01, 5.5000D+01, & ! 7 \n & 5.6000D+01, 5.6000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, & ! + \n & 7.0000D+01, 5.2000D+01, 5.3000D+01, 5.4000D+01, 5.5000D+01, & ! 8 \n & 5.6000D+01, 5.6000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, & ! + \n & 7.0000D+01, 5.2000D+01, 0.0000D+00, 5.4000D+01, 5.5000D+01, & ! 9 \n & 5.6000D+01, 5.6000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, & ! + \n & 7.0000D+01, 7.0000D+01, 5.2000D+01, 5.3000D+01, 5.4000D+01, & ! O \n & 5.5000D+01, 5.6000D+01, 5.6000D+01, 7.0000D+01, 7.0000D+01, & ! + \n & 7.0000D+01, 7.0000D+01, 5.2000D+01, 5.3000D+01, 5.4000D+01, & ! 1 \n & 5.5000D+01, 5.6000D+01, 5.6000D+01, 7.0000D+01, 7.0000D+01, & ! + \n & 7.0000D+01, 7.0000D+01, 0.0000D+00,-4.5000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.0000D+00, & ! + \n & 2.0000D+00, 2.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 5.2000D+01, 0.0000D+00, 5.4000D+01, 5.5000D+01, 5.6000D+01, & ! 7 \n & 5.6000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, & ! + \n & 7.0000D+01, 0.0000D+00, 5.6800D+02, 5.6900D+02, 5.7000D+02, & ! 8 \n & 5.8200D+02, 0.0000D+00,-1.8000D+00, 0.0000D+00,-2.0000D+00, & ! + \n & -2.0000D+00, 0.0000D+00, 0.0000D+00,-5.6000D-01, 2.1000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00,-3.4000D+00, 0.0000D+00, & ! + \n & 0.0000D+00,-1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 5.2000D+01, 5.3000D+01, 5.4000D+01, 5.5000D+01, 5.6000D+01, & ! 3 \n & 5.6000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, & ! + \n & 5.2000D+01, 5.3000D+01, 5.4000D+01, 5.5000D+01, 5.6000D+01, & ! 4 \n & 5.6000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, & ! + \n & 5.2000D+01, 5.3000D+01, 5.4000D+01, 5.5000D+01, 5.6000D+01, & ! 5 \n & 5.6000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, & ! + \n & 0.0000D+00,-3.3000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00,-2.4000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 6.8400D+02, & ! 8 \n & 5.2000D+01, 5.3000D+01, 5.2000D+01, 5.3000D+01, 5.2000D+01, & ! + \n & 5.3000D+01, 5.2000D+01, 5.3000D+01, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 7.6000D+01, & ! + \n & 7.3000D+01, 6.7000D+01, 7.0000D+01, 6.9000D+01, 7.2000D+01, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 6.7000D+01, 0.0000D+00, 6.9000D+01, 7.0000D+01, 7.0000D+01, & ! + \n & 7.2000D+01, 7.2000D+01, 7.2000D+01, 7.2000D+01, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 6.7000D+01, 0.0000D+00, 6.9000D+01, & ! + \n & 7.0000D+01, 7.0000D+01, 7.2000D+01, 7.2000D+01, 7.2000D+01, & ! 3 \n & 7.2000D+01, 7.2000D+01, 0.0000D+00, 7.3000D+01, 0.0000D+00, & ! + \n & 0.0000D+00, 7.0000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, & ! 4 \n & 7.0000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, & ! + \n & 7.0000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, & ! 5 \n & 7.0000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, & ! + \n & 7.0000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, & ! 6 \n & 7.0000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, & ! + \n & 7.0000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, 7.0000D+01, & ! 7 \n & 7.0000D+01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 3.4153D-08, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00/ !+ \n\n DATA ( RTDAT( 3,IRXXN ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00,-2.0600D+03, 0.0000D+00, 1.8800D+02, & ! O \n & 0.0000D+00,-1.5000D+03,-2.4700D+03, 1.1000D+02, 5.3000D+02, & ! + \n & 0.0000D+00,-1.1000D+04, 0.0000D+00, 0.0000D+00,-1.2600D+03, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 6.0000D+01, & ! + \n & 9.6000D+01, 0.0000D+00, 0.0000D+00, 2.6000D+02, 0.0000D+00, & ! 2 \n & 0.0000D+00, 2.7000D-17, 0.0000D+00, 3.4300D-33,-9.4000D+02, & ! + \n & 2.7000D+02, 0.0000D+00,-1.0650D+04, 0.0000D+00, 3.8000D+02, & ! 3 \n & 6.9300D+02, 1.9000D-33, 2.6600D-54, 0.0000D+00,-2.4500D+03, & ! + \n & 0.0000D+00, 0.0000D+00, 2.5000D+02, 0.0000D+00,-2.1000D+03, & ! 4 \n & 3.6000D+02, 7.8000D+02, 7.8000D+02, 0.0000D+00, 3.6500D+02, & ! + \n & -5.2000D+02, 3.8000D+02, 9.0000D+02, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00,-1.2100D+04, 0.0000D+00, & ! 6 \n & 2.9000D+02, 9.8000D+02, 0.0000D+00, 5.0000D+02, 1.0700D+03, & ! + \n & 0.0000D+00, 5.0000D+02, 0.0000D+00,-1.3940D+04, 0.0000D+00, & ! 7 \n & 3.4000D+02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00,-1.4000D+04, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00,-1.3486D+04, 0.0000D+00, 0.0000D+00,-8.1520D+03, & ! + \n & 1.5000D+02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 1.3500D+02,-2.4310D+03, 3.6500D+02, 0.0000D+00,-1.8600D+03, & ! + \n & 4.0500D+02, 0.0000D+00,-1.6010D+03, 4.2900D+02, 0.0000D+00, & ! O \n & -2.5000D+01, 0.0000D+00,-3.4500D+02, 0.0000D+00, 8.5500D+02, & ! + \n & 0.0000D+00, 2.0000D+02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 3.4220D+02,-2.3900D+03, 0.0000D+00, 0.0000D+00, & ! 2 \n & -1.8950D+03, 0.0000D+00, 9.5000D+02, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00,-1.8600D+03, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00,-2.1000D+03, 0.0000D+00, & ! 4 \n & -1.5200D+03, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00,-2.5280D+03, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.3000D+03, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.3000D+03, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00,-1.6900D+03, 0.0000D+00,-2.5800D+03, & ! 2 \n & -2.8800D+03,-8.0000D+02, 5.0400D+02,-1.8780D+03,-1.1560D+03, & ! + \n & -2.8000D+02, 4.4800D+02,-2.2830D+03, 0.0000D+00,-4.0000D+01, & ! 3 \n & -1.9120D+03, 0.0000D+00, 4.3600D+02,-5.3000D+02, 4.9000D+02, & ! + \n & 0.0000D+00, 0.0000D+00,-4.1000D+03,-1.9300D+02, 3.3800D+02, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 5.3000D+02, & ! + \n & -4.9900D+02,-8.7000D+01, 1.2600D+02, 4.4000D+01, 3.7400D+02, & ! 5 \n & 3.7400D+02, 5.0100D+02,-1.7010D+03,-1.0470D+03,-3.2600D+02, & ! + \n & 4.8800D+02,-1.2550D+03, 3.8200D+02, 1.1100D+02, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 4.3500D+02,-7.8500D+02, 4.9000D+02, & ! + \n & 0.0000D+00, 1.3000D+03, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & -2.5000D+02, 0.0000D+00, 2.9500D+02, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00,-1.2530D+04, 1.4500D+02, 3.4000D+02, 0.0000D+00, & ! O \n & -1.9600D+03,-2.3000D+02,-2.3100D+03,-3.0000D+01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00,-1.0000D+03, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00,-3.0000D+01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & -1.2800D+03, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 4.5000D+01,-1.0000D+02, 4.0000D+01, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 1.3500D+02,-2.4310D+03,-3.0000D+01, 3.6500D+02, 0.0000D+00, & ! + \n & -1.8600D+03, 0.0000D+00, 0.0000D+00,-2.5280D+03, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.1000D+02, 3.8000D+02, & ! + \n & 1.3000D+03, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0700D+03, & ! 1 \n & -7.6940D+03, 0.0000D+00, 0.0000D+00,-4.4800D+02, 0.0000D+00, & ! + \n & 3.8000D+02, 1.3000D+03, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 1.0700D+03, 6.1000D+02, 3.8000D+02, 1.3000D+03, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0700D+03,-1.5200D+03, 6.5200D+02, 3.6000D+02, & ! 3 \n & 1.3000D+03, 0.0000D+00, 0.0000D+00, 1.0700D+03, 0.0000D+00, & ! + \n & 7.4500D+02, 3.6000D+02, 1.3000D+03, 0.0000D+00, 0.0000D+00, & ! 4 \n & 1.0700D+03, 0.0000D+00,-4.4800D+02, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 3.8000D+02, 1.3000D+03, 0.0000D+00, 0.0000D+00, & ! + \n & 1.0700D+03,-1.5200D+03, 4.1000D+02, 3.8000D+02, 1.3000D+03, & ! 6 \n & 0.0000D+00, 0.0000D+00, 1.0700D+03, 3.8000D+02, 1.3000D+03, & ! + \n & 0.0000D+00, 0.0000D+00, 1.0700D+03, 6.1000D+02, 3.8000D+02, & ! 7 \n & 1.3000D+03, 0.0000D+00, 0.0000D+00, 1.0700D+03, 3.8000D+02, & ! + \n & 1.3000D+03, 0.0000D+00, 0.0000D+00, 1.0700D+03, 3.4000D+02, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 3.0500D+02, 0.0000D+00, 3.6500D+02, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.4000D+02, & ! O \n & 0.0000D+00, 4.0500D+02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 3.9000D+02, 2.0000D+02,-4.0000D+02, 1.3000D+03, 3.8000D+02, & ! 1 \n & 0.0000D+00, 0.0000D+00, 1.0700D+03, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 2.0000D+02, 3.8000D+02,-1.8150D+03, 0.0000D+00, & ! 2 \n & 0.0000D+00, 3.4000D+02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00,-5.2970D+03, 0.0000D+00,-1.3486D+04, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 2.0000D-06, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00/ !+ \n INTEGER :: IRRFALL( NFALLOFF )\n\n DATA ( IRRFALL( IRXXN ), IRXXN = 1, NFALLOFF ) / & \n & 4, 6, 11, 12, 22, 25, 27, 29, 32, 33, & \n & 37, 38, 44, 63, 64, 524, 542, 590, 591, 599, & \n & 602, 662, 667, 892/\n\n DATA ( RFDAT( 1,IRXXN ), IRXXN = 1, NFALLOFF ) / & \n & 3.0000D-11, 2.2000D-11, 1.9000D-12, 9.7000D+14, 3.6000D-11, & \n & 3.0000D-11, 2.1990D+03, 0.0000D+00, 2.9000D-12, 5.4200D+15, & \n & 9.8000D+02, 3.1800D+03, 1.6000D-12, 1.2100D-11, 4.0000D+16, & \n & 8.8000D-12, 8.3000D-13, 1.0000D-10, 1.0000D-10, 1.5000D-11, & \n & 3.7100D+15, 3.1000D-10, 2.2000D-10, 1.0743D+01/\n\n DATA ( RFDAT( 2,IRXXN ), IRXXN = 1, NFALLOFF ) / & \n & 0.0000D+00,-7.0000D-01, 2.0000D-01, 1.0000D-01,-1.0000D-01, & \n & 0.0000D+00, 6.5000D-34, 0.0000D+00,-1.1000D+00,-2.3000D+00, & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00,-9.0000D-01, 0.0000D+00, & \n & -8.5000D-01,-2.0000D+00,-1.0000D+00,-1.0000D+00,-1.9000D+00, & \n & 3.5000D+00,-1.0000D+00, 0.0000D+00,-6.7130D-01/\n\n DATA ( RFDAT( 3,IRXXN ), IRXXN = 1, NFALLOFF ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00,-1.1080D+04, 0.0000D+00, & \n & 0.0000D+00, 1.3350D+03, 0.0000D+00, 0.0000D+00,-1.1170D+04, & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00,-1.3600D+04, & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & \n & -1.2530D+04, 0.0000D+00, 0.0000D+00, 0.0000D+00/\n\n DATA ( RFDAT( 4,IRXXN ), IRXXN = 1, NFALLOFF ) / & \n & 6.0000D-01, 6.0000D-01, 3.5000D-01, 3.5000D-01, 6.0000D-01, & \n & 4.1000D-01, 0.0000D+00, 0.0000D+00, 6.0000D-01, 6.0000D-01, & \n & 0.0000D+00, 0.0000D+00, 6.0000D-01, 3.0000D-01, 3.0000D-01, & \n & 6.0000D-01, 6.0000D-01, 6.0000D-01, 6.0000D-01, 6.0000D-01, & \n & 6.0000D-01, 6.0000D-01, 6.0000D-01, 0.0000D+00/\n\n DATA ( RFDAT( 5,IRXXN ), IRXXN = 1, NFALLOFF ) / & \n & 1.0000D+00, 1.0000D+00, 1.3300D+00, 1.3300D+00, 1.0000D+00, & \n & 1.2400D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, & \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.4100D+00, 1.4100D+00, & \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00/\n\n REAL( 8 ) :: SC( NRXNS,MXPRD )\n\n DATA ( SC( IRXXN, 1 ), IRXXN = 1, NRXNS ) / & \n & 1.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, & ! O \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 2.0000D+00, 2.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 2.0000D+00, 2.0000D+00, 1.0000D+00, & ! 1 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 2.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 2 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 6.1000D-01, 1.0000D+00, & ! 3 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 8.0000D-01, 2.0000D+00, & ! + \n & 2.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, & ! 4 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 2.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, 5.0000D-01, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 5.0000D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, 6.0000D-01, & ! 6 \n & 1.0000D+00, 1.0500D-01, 1.0000D+00, 1.0000D-01, 1.0000D+00, & ! + \n & 1.0000D+00, 2.0000D+00, 1.0000D+00, 1.0000D+00, 6.0000D-01, & ! 7 \n & 1.0000D+00, 3.0750D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 2.0000D+00, 2.0000D+00, 1.0000D+00, 1.0000D+00, & ! 8 \n & 6.0000D-01, 1.0000D+00, 3.0750D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 2.0000D+00, 2.0000D+00, 2.0000D+00, & ! 9 \n & 1.0000D+00, 1.0000D+00, 6.0000D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! O \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 1 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 2 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 3 \n & 1.0000D+00, 1.5000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 4 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 2.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 5 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 2.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 6 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 2.0000D+00, 1.0000D+00, 1.0000D+00, & ! 7 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 8 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 2.0000D+00, 1.0000D+00, & ! 9 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 9.6500D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 6.2000D-01, & ! O \n & 9.6700D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 5.0900D-01, & ! + \n & 1.0000D+00, 3.0000D-01, 1.0000D+00, 7.4400D-01, 1.0000D+00, & ! 1 \n & 8.4000D-01, 1.0000D+00, 1.3900D-01, 1.0000D+00, 2.0000D+00, & ! + \n & 1.0000D+00, 7.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 2 \n & 1.0000D+00, 2.0000D+00, 2.0000D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, & ! 3 \n & 2.1700D-01, 8.2600D-01, 1.0230D+00, 2.1700D-01, 8.2600D-01, & ! + \n & 1.0000D+00, 2.0600D-01, 4.7100D-01, 2.0800D-01, 1.0000D+00, & ! 4 \n & 1.6400D-01, 4.5000D-01, 4.0000D-01, 2.8900D-01, 2.8500D-01, & ! + \n & 1.5000D-01, 1.2330D+00, 4.7200D-01, 9.1300D-01, 1.8900D-01, & ! 5 \n & 3.4400D-01, 1.0000D+00, 1.0000D+00, 2.5000D-01, 8.3000D-01, & ! + \n & 3.1000D-02, 1.0000D+00, 1.0660D+00, 9.8000D-01, 1.0000D+00, & ! 6 \n & 8.0600D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 4.4000D-01, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 7 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 8 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 9 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! O \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 1 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 2 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 3 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 4 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 5 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 6 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 7 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 8 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 9 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! O \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 1 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 2 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 3 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 4 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 5 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 6 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 7 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 8 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 9 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! O \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 1 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.6000D-01, & ! 2 \n & 1.0000D+00, 8.0000D-01, 9.8400D-01, 1.6500D-01, 9.4900D-01, & ! + \n & 4.5000D-01, 9.5100D-01, 8.0000D-02, 8.1500D-01, 2.5000D-01, & ! 3 \n & 6.6000D-02, 2.5000D-01, 7.9900D-01, 9.0000D-03, 5.6000D-02, & ! + \n & 1.0000D+00, 3.0000D-01, 1.5000D+00, 5.7000D-01, 1.8100D-01, & ! 4 \n & 1.5900D-01, 1.6100D-01, 1.5900D-01, 2.2000D-02, 9.5000D-01, & ! + \n & 1.0000D+00, 9.6500D-01, 6.9500D-01, 8.3000D-01, 6.4700D-01, & ! 5 \n & 1.0000D+00, 8.7100D-01, 9.5000D-02, 7.7200D-01, 4.5000D-01, & ! + \n & 9.1200D-01, 9.4000D-02, 4.0000D-01, 7.9000D-02, 1.2300D-01, & ! 6 \n & 7.7000D-02, 7.7000D-02, 7.3400D-01, 7.8000D-02, 1.0000D+00, & ! + \n & 8.2700D-01, 1.0000D+00, 1.5310D+00, 2.6600D-01, 2.6600D-01, & ! 7 \n & 2.6600D-01, 5.3100D-01, 5.3100D-01, 5.3100D-01, 1.0000D+00, & ! + \n & 1.0000D+00, 2.3700D-01, 7.3400D-01, 7.8000D-02, 2.2700D-01, & ! 8 \n & 2.3700D-01, 2.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 9 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! O \n & 2.9000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 1 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 4.0400D-01, 4.8400D-01, 1.2830D+00, & ! 2 \n & 4.0100D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 3 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 4 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 5 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.2400D-01, 3.9000D-01, 1.5000D-01, & ! 6 \n & 5.4800D-01, 1.0000D+00, 8.9400D-01, 8.6400D-01, 8.6400D-01, & ! + \n & 8.6400D-01, 8.3800D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 7 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 3.8400D-01, 2.7900D-01, & ! + \n & 8.4000D-01, 8.2800D-01, 8.2800D-01, 5.4800D-01, 2.5200D-01, & ! 8 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! O \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, 4.0000D-01, & ! + \n & 8.8000D-01, 9.5000D-01, 4.5000D-01, 9.1000D-01, 1.0000D+00, & ! 1 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 7.0000D-01, & ! + \n & 7.0000D-01, 1.0000D+00, 6.0000D-01, 6.0000D-01, 1.2000D+00, & ! 2 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.1700D-01, & ! + \n & 1.1700D-01, 1.0000D+00, 5.0000D-01, 1.0000D+00, 3.4000D-01, & ! 3 \n & 1.0000D+00, 1.7000D-01, 1.7000D-01, 1.0000D+00, 3.6000D-01, & ! + \n & 1.0000D+00, 6.0000D-01, 1.0000D+00, 3.0000D-01, 3.0000D-01, & ! 4 \n & 1.0000D+00, 1.2000D-01, 6.0000D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 7.5000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 5 \n & 1.0000D+00, 9.4000D-01, 1.0000D+00, 7.0000D-01, 7.0000D-01, & ! + \n & 1.0000D+00, 3.0000D-01, 3.4500D-01, 9.1900D-01, 1.0000D+00, & ! 6 \n & 6.8900D-01, 6.8900D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 5.0000D-01, 1.0000D+00, 1.0000D+00, 6.2500D-01, & ! 7 \n & 1.0000D+00, 3.5000D-01, 3.5000D-01, 1.0000D+00, 8.5000D-01, & ! + \n & 1.0000D+00, 1.0000D+00, 5.0000D-01, 1.0000D+00, 1.0000D+00, & ! 8 \n & 3.0750D-01, 1.0000D+00, 2.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 2.0000D+00, 1.0000D+00, 1.0000D+00, 2.0000D+00, 1.0000D+00, & ! 9 \n & 7.5000D-01, 7.5000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 6.5000D-01, & ! O \n & 1.0000D+00, 8.0000D-02, 1.0000D+00, 1.5000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 3.8700D-01, 1.0000D+00, 7.2500D-01, 7.2500D-01, & ! 1 \n & 3.6300D-01, 3.6300D-01, 7.2500D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 3.0000D-01, 5.3000D-01, 5.0000D-01, 3.3000D-01, & ! 2 \n & 2.5000D-01, 1.0000D+00, 7.5000D-01, 1.0000D+00, 2.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 2.0000D+00, 1.0000D+00, 1.0000D+00, & ! 3 \n & 2.0000D+00, 2.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 6.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 4 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 5 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 6 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 7 \n & 1.0000D+00, 3.0000D-02, 0.0000D+00, 0.0000D+00, 8.3000D-01, & ! + \n & 1.0000D+00, 1.8900D-01, 3.4400D-01, 5.0000D-01, 1.0000D+00, & ! 8 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 9 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 5.0000D-01, & ! O \n & 5.0000D-01, 1.5000D+00, 9.0700D-01, 9.2500D-01, 9.4300D-01, & ! + \n & 1.2500D+00, 1.0000D+00, 1.2500D+00, 1.0000D+00, 1.0000D+00, & ! 1 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 2 \n & 1.0000D+00, 2.0000D+00, 1.0000D+00, 1.0000D+00/ !+ \n\n DATA ( SC( IRXXN, 2 ), IRXXN = 1, NRXNS ) / & \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, & ! 1 \n & 0.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 6.1000D-01, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 8.0000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! 4 \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 2.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 7.5000D-01, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 7.5000D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 6.0000D-01, & ! 6 \n & 1.0000D+00, 4.5000D-02, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 2.0000D+00, 0.0000D+00, 1.0000D+00, 6.0000D-01, & ! 7 \n & 1.0000D+00, 1.0250D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 2.0000D+00, 0.0000D+00, 1.0000D+00, & ! 8 \n & 6.0000D-01, 1.0000D+00, 1.0250D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 2.0000D+00, 2.0000D+00, & ! 9 \n & 0.0000D+00, 1.0000D+00, 6.0000D-01, 0.0000D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, & ! O \n & 1.0000D+00, 5.0000D-01, 5.0000D-01, 5.0000D-01, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, & ! 1 \n & 1.0000D+00, 5.0000D-01, 5.0000D-01, 5.0000D-01, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, & ! 2 \n & 1.0000D+00, 5.0000D-01, 5.0000D-01, 5.0000D-01, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, & ! 3 \n & 1.0000D+00, 0.0000D+00, 5.0000D-01, 5.0000D-01, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, & ! 4 \n & 1.0000D+00, 5.0000D-01, 5.0000D-01, 5.0000D-01, 0.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, & ! 5 \n & 1.0000D+00, 5.0000D-01, 5.0000D-01, 5.0000D-01, 1.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, & ! 6 \n & 1.0000D+00, 5.0000D-01, 5.0000D-01, 5.0000D-01, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! 7 \n & 1.0000D+00, 5.0000D-01, 5.0000D-01, 5.0000D-01, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, & ! 8 \n & 1.0000D+00, 5.0000D-01, 5.0000D-01, 5.0000D-01, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, & ! 9 \n & 1.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 3.5000D-02, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.3800D+00, & ! O \n & 3.9000D-02, 1.0000D+00, 1.0000D+00, 1.0000D+00, 4.9100D-01, & ! + \n & 1.0000D+00, 3.0000D-01, 1.0000D+00, 2.5100D-01, 1.0000D+00, & ! 1 \n & 2.2200D-01, 1.4200D-01, 1.4800D-01, 1.0000D+00, 2.0000D+00, & ! + \n & 1.0000D+00, 1.4000D+00, 7.0000D-01, 1.0000D+00, 1.0000D+00, & ! 2 \n & 1.0000D+00, 0.0000D+00, 8.0000D-01, 1.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, & ! 3 \n & 7.2300D-01, 5.2200D-01, 1.7300D-01, 7.2300D-01, 5.2200D-01, & ! + \n & 0.0000D+00, 7.3300D-01, 5.5400D-01, 1.0800D-01, 0.0000D+00, & ! 4 \n & 6.4000D-02, 5.5000D-01, 6.0000D-01, 6.7000D-01, 4.0000D-01, & ! + \n & 1.5000D-01, 4.6700D-01, 3.7900D-01, 4.0000D-01, 3.0500D-01, & ! 5 \n & 5.5400D-01, 2.0000D+00, 1.0000D+00, 7.5000D-01, 3.3000D-01, & ! + \n & 9.6700D-01, 0.0000D+00, 1.7800D-01, 2.0000D-02, 1.0000D+00, & ! 6 \n & 1.9400D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 4.4000D-01, & ! + \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 5.0000D-01, 5.0000D-01, & ! 7 \n & 5.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 5.0000D-01, 5.0000D-01, & ! 8 \n & 5.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 5.0000D-01, 5.0000D-01, & ! 9 \n & 5.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 5.0000D-01, 5.0000D-01, & ! O \n & 5.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 5.0000D-01, 5.0000D-01, & ! 1 \n & 5.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 5.0000D-01, 5.0000D-01, & ! 2 \n & 5.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 5.0000D-01, 5.0000D-01, & ! 3 \n & 5.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 5.0000D-01, 5.0000D-01, & ! 4 \n & 5.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 5.0000D-01, 5.0000D-01, & ! 5 \n & 5.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 5.0000D-01, 5.0000D-01, & ! 6 \n & 5.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 5.0000D-01, 5.0000D-01, & ! 7 \n & 5.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 5.0000D-01, 5.0000D-01, & ! 8 \n & 5.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 5.0000D-01, 5.0000D-01, & ! 9 \n & 5.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 5.0000D-01, 5.0000D-01, & ! O \n & 5.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 5.0000D-01, 5.0000D-01, & ! 1 \n & 5.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 5.0000D-01, 5.0000D-01, & ! 2 \n & 5.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 5.0000D-01, 5.0000D-01, & ! 3 \n & 5.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 5.0000D-01, 5.0000D-01, & ! 4 \n & 5.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, 5.0000D-01, & ! 5 \n & 5.0000D-01, 5.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, 5.0000D-01, & ! 6 \n & 5.0000D-01, 5.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, 5.0000D-01, & ! 7 \n & 5.0000D-01, 5.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, 5.0000D-01, & ! 8 \n & 5.0000D-01, 5.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, 5.0000D-01, & ! 9 \n & 5.0000D-01, 5.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, & ! O \n & 5.0000D-01, 5.0000D-01, 5.0000D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, & ! 1 \n & 5.0000D-01, 5.0000D-01, 5.0000D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, 1.6000D-01, & ! 2 \n & 1.0000D+00, 2.9000D-01, 9.8400D-01, 3.5000D-01, 9.4900D-01, & ! + \n & 5.5000D-01, 1.1890D+00, 8.0000D-02, 1.2000D-01, 1.1700D-01, & ! 3 \n & 2.6600D-01, 2.4000D-01, 4.0000D-03, 1.0200D-01, 6.4300D-01, & ! + \n & 1.0000D+00, 7.0000D-01, 5.0000D-01, 2.9000D-01, 4.5400D-01, & ! 4 \n & 5.2000D-01, 5.5400D-01, 4.8700D-01, 6.2700D-01, 5.0000D-02, & ! + \n & 1.0000D+00, 9.6500D-01, 2.3600D-01, 1.0000D-02, 1.6050D+00, & ! 5 \n & 6.0000D-03, 1.0000D-03, 5.7000D-02, 1.4630D+00, 3.9000D-01, & ! + \n & 9.5300D-01, 4.1000D-02, 4.2600D-01, 7.5100D-01, 5.6600D-01, & ! 6 \n & 6.1700D-01, 6.1700D-01, 6.4000D-02, 4.6000D-02, 0.0000D+00, & ! + \n & 6.8800D-01, 0.0000D+00, 4.2200D-01, 7.1100D-01, 7.1100D-01, & ! 7 \n & 7.1100D-01, 4.2200D-01, 4.2200D-01, 4.2200D-01, 1.0430D+00, & ! + \n & 1.0430D+00, 7.6300D-01, 6.4000D-02, 4.6000D-02, 2.8700D-01, & ! 8 \n & 7.6300D-01, 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, & ! 9 \n & 0.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, & ! O \n & 1.4200D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 9.0000D-01, 1.0000D+00, 9.7500D-01, 3.8000D-02, & ! 1 \n & 3.1400D-01, 6.3000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 4.1400D-01, 1.4500D-01, 1.3900D-01, 2.7400D-01, 5.3000D-02, & ! 2 \n & 8.4000D-02, 1.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 5.0000D-01, 5.0000D-01, & ! 3 \n & 5.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 5.0000D-01, 5.0000D-01, & ! 4 \n & 5.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 5.0000D-01, 5.0000D-01, & ! 5 \n & 5.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 2.0000D+00, 9.7100D-01, 5.4100D-01, 7.3800D-01, & ! 6 \n & 2.5200D-01, 1.0000D+00, 8.9400D-01, 8.6400D-01, 8.6400D-01, & ! + \n & 8.6400D-01, 8.3800D-01, 6.8800D-01, 1.0000D+00, 9.7000D-01, & ! 7 \n & 8.3500D-01, 8.2700D-01, 6.4700D-01, 8.7300D-01, 4.5000D-01, & ! + \n & 8.4000D-01, 8.2800D-01, 8.2800D-01, 2.5200D-01, 6.8000D-02, & ! 8 \n & 3.4000D-02, 1.4600D-01, 1.5000D-02, 1.9300D-01, 1.6000D-02, & ! + \n & 1.4000D-01, 2.8000D-02, 4.7300D-01, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 2.6000D-01, & ! + \n & 1.2000D-01, 1.1200D+00, 3.7000D-01, 7.5000D-01, 1.0000D+00, & ! 1 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, 3.5000D-02, & ! + \n & 3.5000D-02, 0.0000D+00, 1.7500D-02, 1.7500D-02, 3.5000D-02, & ! 2 \n & 1.0000D+00, 0.0000D+00, 2.3400D-01, 0.0000D+00, 1.1700D-01, & ! + \n & 1.1700D-01, 1.0000D+00, 3.5000D-01, 0.0000D+00, 1.5000D-01, & ! 3 \n & 0.0000D+00, 7.5000D-02, 7.5000D-02, 1.0000D+00, 2.9000D-01, & ! + \n & 0.0000D+00, 6.0000D-01, 0.0000D+00, 3.0000D-01, 3.0000D-01, & ! 4 \n & 1.0000D+00, 3.2000D-01, 6.0000D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 2.5000D-01, 1.0000D+00, 1.0000D+00, 2.0000D+00, & ! 5 \n & 1.0000D+00, 9.4000D-01, 0.0000D+00, 7.0000D-01, 7.0000D-01, & ! + \n & 1.0000D+00, 4.5000D-01, 6.5500D-01, 9.1900D-01, 0.0000D+00, & ! 6 \n & 6.8900D-01, 6.8900D-01, 1.0000D+00, 1.0000D+00, 0.0000D+00, & ! + \n & 2.6000D-01, 2.6000D-01, 5.2000D-01, 0.0000D+00, 6.2500D-01, & ! 7 \n & 0.0000D+00, 3.5000D-01, 3.5000D-01, 1.0000D+00, 8.5000D-01, & ! + \n & 0.0000D+00, 4.2400D-01, 4.2400D-01, 1.0000D+00, 1.0000D+00, & ! 8 \n & 1.0250D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 2.0000D+00, 2.0000D+00, 2.0000D+00, 2.0000D+00, 1.0000D+00, & ! 9 \n & 2.5000D-01, 8.2500D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 6.5000D-01, & ! O \n & 1.0000D+00, 8.0000D-02, 1.0000D+00, 5.0000D-01, 1.0000D+00, & ! + \n & 1.0000D+00, 6.1300D-01, 0.0000D+00, 2.7500D-01, 2.7500D-01, & ! 1 \n & 1.3800D-01, 1.3800D-01, 2.7500D-01, 9.1000D-01, 1.0000D+00, & ! + \n & 1.0000D+00, 7.0000D-01, 4.7000D-01, 5.0000D-01, 6.7000D-01, & ! 2 \n & 1.6500D-01, 1.0000D+00, 2.5000D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 2.0000D+00, 2.0000D+00, 2.0000D+00, & ! 3 \n & 2.0000D+00, 2.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, & ! + \n & 6.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 4 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 6 \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 7 \n & 1.0000D+00, 3.0000D-02, 0.0000D+00, 0.0000D+00, 1.7000D-01, & ! + \n & 3.8000D-02, 3.0500D-01, 5.5400D-01, 5.0000D-01, 1.0000D+00, & ! 8 \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, & ! 1 \n & 4.8570D-01, 3.0030D-01, 3.8560D-01, 2.1810D-01, 2.4120D-01, & ! + \n & 6.6640D-01, 2.8580D-01, 3.3030D-01, 3.4440D-01, 3.8860D-01, & ! 2 \n & 1.0000D+00, 5.0000D-01, 0.0000D+00, 0.0000D+00/ !+ \n\n DATA ( SC( IRXXN, 3 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.9000D-01, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.0000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! 4 \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.5000D-01, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.5000D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.0000D-01, & ! 6 \n & 1.0000D+00, 1.5000D-01, 1.0000D+00, 9.0000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.0000D-01, & ! 7 \n & 1.0000D+00, 1.5000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 2.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 4.0000D-01, 1.0000D+00, 1.5000D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 2.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 4.0000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 1.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! + \n & 3.5000D-02, 1.0000D+00, 0.0000D+00, 1.0000D+00, 3.8000D-01, & ! O \n & 3.9000D-02, 1.0000D+00, 0.0000D+00, 0.0000D+00, 5.0900D-01, & ! + \n & 1.4300D-01, 7.0000D-01, 1.0000D+00, 4.0000D-03, 1.0000D+00, & ! 1 \n & 2.9000D-02, 7.8200D-01, 5.8900D-01, 5.0000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 3.0000D-01, 1.4000D+00, 1.0000D+00, 0.0000D+00, & ! 2 \n & 1.0000D+00, 0.0000D+00, 8.0000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 6.0000D-02, 6.5200D-01, 3.0500D-01, 6.0000D-02, 6.5200D-01, & ! + \n & 0.0000D+00, 1.1700D-01, 1.3000D-02, 1.0000D-01, 0.0000D+00, & ! 4 \n & 5.0000D-02, 0.0000D+00, 6.0000D-01, 6.7000D-01, 4.8000D-02, & ! + \n & 7.9900D-01, 3.0000D-01, 2.9000D-02, 6.0000D-01, 1.9000D-02, & ! 5 \n & 1.0000D+00, 1.0000D+00, 0.0000D+00, 2.5000D-01, 1.0050D+00, & ! + \n & 3.1000D-02, 0.0000D+00, 2.3400D-01, 2.0000D-02, 1.0000D+00, & ! 6 \n & 1.9400D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 4.4000D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 5.0000D-01, & ! 8 \n & 5.0000D-01, 5.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 5.0000D-01, & ! 9 \n & 5.0000D-01, 5.0000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.6100D+00, 5.1000D-01, & ! 2 \n & 1.0000D+00, 5.1000D-01, 1.6000D-02, 3.5500D-01, 5.1000D-02, & ! + \n & 0.0000D+00, 4.9000D-02, 2.5500D-01, 1.0550D+00, 1.1800D-01, & ! 3 \n & 1.9200D-01, 2.4000D-01, 1.0420D+00, 7.2800D-01, 7.0000D-03, & ! + \n & 0.0000D+00, 3.0000D-01, 1.5000D+00, 1.1600D-01, 3.1200D-01, & ! 4 \n & 2.3900D-01, 1.9800D-01, 2.7800D-01, 2.3000D-01, 5.0000D-02, & ! + \n & 1.0000D+00, 3.5000D-02, 1.2530D+00, 1.1000D-02, 3.5300D-01, & ! 5 \n & 5.2000D-02, 1.2020D+00, 1.2800D-01, 2.2800D-01, 1.6000D-01, & ! + \n & 8.8000D-02, 4.4300D-01, 3.5000D-02, 1.7000D-01, 2.0200D-01, & ! 6 \n & 1.7800D-01, 1.7800D-01, 1.2110D+00, 4.9900D-01, 0.0000D+00, & ! + \n & 4.2400D-01, 0.0000D+00, 7.8600D-01, 3.9300D-01, 3.9300D-01, & ! 7 \n & 3.9300D-01, 7.8600D-01, 1.7860D+00, 1.7860D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.2110D+00, 4.9900D-01, 2.6000D-02, & ! 8 \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! + \n & 1.0000D+00, 1.0000D-01, 1.0000D+00, 3.9000D-02, 5.5000D-02, & ! 1 \n & 6.8000D-01, 1.2600D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, & ! + \n & 5.8800D-01, 1.0780D+00, 1.4800D-01, 2.1600D-01, 5.3000D-02, & ! 2 \n & 1.5400D-01, 1.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 9.7100D-01, 1.8840D+00, 1.7700D-01, & ! 6 \n & 6.8000D-02, 0.0000D+00, 1.0600D-01, 1.3600D-01, 1.3600D-01, & ! + \n & 1.3600D-01, 1.6200D-01, 3.1200D-01, 1.0000D+00, 9.7000D-01, & ! 7 \n & 9.4000D-02, 3.0000D-03, 1.5410D+00, 1.6080D+00, 4.4200D-01, & ! + \n & 1.6000D-01, 1.7200D-01, 1.7200D-01, 6.8000D-02, 3.4000D-02, & ! 8 \n & 3.9200D-01, 0.0000D+00, 2.3000D-02, 0.0000D+00, 5.1000D-02, & ! + \n & 0.0000D+00, 2.2500D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 8.8300D-01, & ! + \n & 4.7000D-02, 2.3000D-01, 2.3000D-01, 4.5000D-01, 9.1000D-01, & ! 1 \n & 0.0000D+00, 5.0000D-01, 0.0000D+00, 0.0000D+00, 3.5000D-02, & ! + \n & 3.5000D-02, 0.0000D+00, 1.7500D-02, 1.7500D-02, 3.5000D-02, & ! 2 \n & 7.0000D-01, 0.0000D+00, 2.3400D-01, 0.0000D+00, 1.0800D-01, & ! + \n & 1.0800D-01, 2.3400D-01, 7.9000D-01, 0.0000D+00, 4.4000D-01, & ! 3 \n & 0.0000D+00, 2.2000D-01, 2.2000D-01, 3.4000D-01, 7.0000D-01, & ! + \n & 0.0000D+00, 4.0000D-01, 0.0000D+00, 9.5000D-01, 2.0000D-01, & ! 4 \n & 6.0000D-01, 3.4000D-01, 4.0000D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 2.5000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 5 \n & 1.0000D+00, 9.4000D-01, 0.0000D+00, 3.0000D-01, 3.0000D-01, & ! + \n & 1.0000D+00, 8.5000D-01, 0.0000D+00, 1.5000D-02, 0.0000D+00, & ! 6 \n & 1.1000D-02, 1.1000D-02, 9.8400D-01, 5.2000D-01, 0.0000D+00, & ! + \n & 2.6000D-01, 2.6000D-01, 5.2000D-01, 0.0000D+00, 2.6500D-01, & ! 7 \n & 0.0000D+00, 1.5000D-01, 1.5000D-01, 7.0000D-01, 7.2000D-01, & ! + \n & 0.0000D+00, 4.2400D-01, 4.2400D-01, 1.0000D+00, 1.0000D+00, & ! 8 \n & 1.5000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 2.0000D+00, 1.0000D+00, & ! 9 \n & 1.3000D-01, 1.2500D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 2.0000D+00, 3.5000D-01, & ! O \n & 1.0000D+00, 1.5000D-01, 1.0000D+00, 5.0000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 6.1300D-01, 0.0000D+00, 2.7500D-01, 2.7500D-01, & ! 1 \n & 1.3800D-01, 1.3800D-01, 2.7500D-01, 7.5000D-01, 1.0000D+00, & ! + \n & 0.0000D+00, 7.0000D-01, 0.0000D+00, 5.0000D-01, 3.4000D-01, & ! 2 \n & 8.0200D-01, 1.0000D+00, 2.5000D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 3 \n & 2.0000D+00, 2.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 4.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 8.1000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 5.5000D-02, 1.9000D-02, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 6.2000D-03, 2.8620D-01, 9.5000D-02, 3.0630D-01, 2.0890D-01, & ! + \n & 1.4300D-02, 3.9310D-01, 2.2720D-01, 2.7490D-01, 2.4210D-01, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00/ !+ \n\n DATA ( SC( IRXXN, 4 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.9000D-01, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.0000D-01, & ! 6 \n & 0.0000D+00, 4.4000D-01, 0.0000D+00, 9.0000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.0000D-01, & ! 7 \n & 1.0000D+00, 4.4000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 2.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 4.0000D-01, 1.0000D+00, 4.4000D-01, 1.0000D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 4.0000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 3.5000D-02, 1.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! O \n & 3.7600D-01, 1.0000D+00, 0.0000D+00, 0.0000D+00, 4.9100D-01, & ! + \n & 1.4200D-01, 0.0000D+00, 0.0000D+00, 4.0000D-03, 0.0000D+00, & ! 1 \n & 2.9000D-02, 7.7000D-02, 1.2400D-01, 5.0000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 3.0000D-01, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 8.0000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 6.0000D-02, 5.2200D-01, 5.0000D-01, 6.0000D-02, 5.2200D-01, & ! + \n & 0.0000D+00, 1.1700D-01, 2.5800D-01, 4.5000D-01, 0.0000D+00, & ! 4 \n & 5.0000D-02, 0.0000D+00, 4.0000D-01, 4.1000D-02, 4.8000D-02, & ! + \n & 7.9900D-01, 1.2330D+00, 4.9000D-02, 1.5900D+00, 3.1300D-01, & ! 5 \n & 7.2100D-01, 0.0000D+00, 0.0000D+00, 1.6700D-01, 3.1000D-01, & ! + \n & 2.0000D-03, 0.0000D+00, 3.3000D-01, 2.0000D-02, 0.0000D+00, & ! 6 \n & 1.1000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 4.4000D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.9500D-01, 1.2000D-01, & ! 2 \n & 1.0000D+00, 2.9000D-01, 1.6000D-02, 5.2500D-01, 5.1000D-02, & ! + \n & 0.0000D+00, 4.9000D-02, 1.8500D-01, 6.5000D-02, 2.3500D-01, & ! 3 \n & 1.9200D-01, 1.0000D-02, 1.9700D-01, 1.0000D-03, 1.0500D+00, & ! + \n & 0.0000D+00, 3.0000D-01, 5.0000D-01, 2.9000D-01, 4.5400D-01, & ! 4 \n & 5.2000D-01, 5.5400D-01, 4.8700D-01, 6.2700D-01, 8.1000D-02, & ! + \n & 1.0000D+00, 3.5000D-02, 7.0000D-02, 1.7630D+00, 3.5300D-01, & ! 5 \n & 8.1000D-02, 1.2800D-01, 9.0000D-02, 2.2800D-01, 0.0000D+00, & ! + \n & 8.8000D-02, 3.0700D-01, 1.1930D+00, 0.0000D+00, 5.6600D-01, & ! 6 \n & 6.1700D-01, 6.1700D-01, 2.0100D-01, 2.0200D-01, 0.0000D+00, & ! + \n & 2.2700D-01, 0.0000D+00, 4.2000D-01, 7.1000D-01, 2.1000D-01, & ! 7 \n & 2.1000D-01, 4.2000D-01, 4.2000D-01, 4.2000D-01, 7.8600D-01, & ! + \n & 7.8600D-01, 0.0000D+00, 2.0100D-01, 2.0200D-01, 1.7860D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0000D-01, 1.0000D+00, 3.9000D-02, 1.2820D+00, & ! 1 \n & 1.1600D-01, 3.7000D-01, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! + \n & 4.1400D-01, 1.1700D-01, 5.8900D-01, 1.0320D+00, 3.2200D-01, & ! 2 \n & 7.3000D-01, 1.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 2.9000D-02, 6.9000D-02, 1.1680D+00, & ! 6 \n & 3.4000D-02, 0.0000D+00, 1.0600D-01, 1.3600D-01, 1.3600D-01, & ! + \n & 1.3600D-01, 1.6200D-01, 3.1200D-01, 1.0000D+00, 3.0000D-02, & ! 7 \n & 1.3610D+00, 4.0000D-03, 3.5200D-01, 1.2700D-01, 1.0000D-03, & ! + \n & 1.6000D-01, 1.7200D-01, 1.7200D-01, 3.4000D-02, 5.0000D-02, & ! 8 \n & 0.0000D+00, 0.0000D+00, 6.0000D-02, 0.0000D+00, 4.7000D-02, & ! + \n & 0.0000D+00, 1.9100D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 7.0000D-02, & ! + \n & 7.3000D-02, 1.5000D-01, 1.5000D-01, 2.9000D-01, 7.5000D-01, & ! 1 \n & 0.0000D+00, 5.0000D-01, 0.0000D+00, 0.0000D+00, 1.3000D+00, & ! + \n & 1.3000D+00, 0.0000D+00, 1.5000D-01, 1.5000D-01, 3.0000D-01, & ! 2 \n & 3.5000D-02, 0.0000D+00, 2.1600D-01, 0.0000D+00, 1.0800D-01, & ! + \n & 1.0800D-01, 2.3400D-01, 2.0000D-02, 0.0000D+00, 7.0000D-02, & ! 3 \n & 0.0000D+00, 3.5000D-02, 3.5000D-02, 1.5000D-01, 1.2000D-01, & ! + \n & 0.0000D+00, 4.0000D-01, 0.0000D+00, 7.0000D-01, 2.0000D-01, & ! 4 \n & 6.0000D-01, 8.0000D-02, 0.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 2.0000D+00, 1.0000D+00, & ! 5 \n & 0.0000D+00, 6.0000D-02, 0.0000D+00, 0.0000D+00, 7.5000D-01, & ! + \n & 1.0000D+00, 4.5000D-01, 0.0000D+00, 8.1000D-02, 0.0000D+00, & ! 6 \n & 3.1100D-01, 3.1100D-01, 9.8400D-01, 5.2000D-01, 0.0000D+00, & ! + \n & 2.4000D-01, 2.4000D-01, 4.8000D-01, 0.0000D+00, 2.6500D-01, & ! 7 \n & 0.0000D+00, 9.0000D-01, 1.5000D-01, 7.0000D-01, 7.2000D-01, & ! + \n & 0.0000D+00, 8.2600D-01, 7.6000D-02, 1.5000D-01, 1.0000D+00, & ! 8 \n & 4.4000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 2.0000D+00, 0.0000D+00, & ! 9 \n & 5.2000D-01, 1.0000D-01, 0.0000D+00, 0.0000D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.5000D-01, & ! O \n & 0.0000D+00, 7.0000D-02, 1.0000D+00, 5.0000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.7500D-01, 2.7500D-01, & ! 1 \n & 1.3800D-01, 1.3800D-01, 2.7500D-01, 4.5000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 5.0000D-01, 3.3000D-01, & ! 2 \n & 3.3000D-02, 1.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! 3 \n & 2.0000D+00, 2.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 4.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 2.1000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 1.2820D+00, 3.1300D-01, 7.2100D-01, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 2.5000D-03, 4.1000D-03, 1.3730D-01, 1.5300D-02, 3.0000D-01, & ! + \n & 1.2300D-02, 1.3900D-02, 2.6070D-01, 4.9100D-02, 6.4000D-02, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00/ !+ \n\n DATA ( SC( IRXXN, 5 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.0000D-01, & ! 6 \n & 0.0000D+00, 4.4000D-01, 0.0000D+00, 9.0000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.0000D-01, & ! 7 \n & 1.0000D+00, 4.4000D-01, 1.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 1.0000D+00, 1.0000D+00, 2.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 4.0000D-01, 0.0000D+00, 4.4000D-01, 0.0000D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 4.0000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 3.5000D-02, 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 5.1000D-01, 1.0000D+00, 0.0000D+00, 0.0000D+00, 4.9100D-01, & ! + \n & 4.0000D-01, 0.0000D+00, 0.0000D+00, 7.4400D-01, 0.0000D+00, & ! 1 \n & 8.4000D-01, 7.7000D-02, 1.2400D-01, 5.0000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 2.5000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 5.2100D-01, 1.7400D-01, 6.9500D-01, 5.2100D-01, 1.7400D-01, & ! + \n & 0.0000D+00, 5.6100D-01, 7.0000D-03, 1.1700D-01, 0.0000D+00, & ! 4 \n & 4.7500D-01, 0.0000D+00, 0.0000D+00, 4.1000D-02, 4.9800D-01, & ! + \n & 5.1000D-02, 3.0000D-01, 4.7300D-01, 8.7000D-02, 9.7600D-01, & ! 5 \n & 1.0200D-01, 0.0000D+00, 0.0000D+00, 8.3000D-02, 5.0000D-01, & ! + \n & 2.0000D-03, 0.0000D+00, 1.1880D+00, 2.0000D-02, 0.0000D+00, & ! 6 \n & 1.1000D-01, 1.0000D+00, 0.0000D+00, 0.0000D+00, 5.6000D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, & ! 2 \n & 0.0000D+00, 5.1000D-01, 9.8400D-01, 2.1500D-01, 1.0000D+00, & ! + \n & 0.0000D+00, 7.0800D-01, 5.0000D-01, 6.5000D-02, 1.5000D-02, & ! 3 \n & 8.0000D-03, 1.0000D-02, 1.9700D-01, 2.9700D-01, 2.9300D-01, & ! + \n & 0.0000D+00, 7.0000D-01, 0.0000D+00, 2.4000D-02, 5.4000D-02, & ! 4 \n & 8.2000D-02, 8.7000D-02, 7.6000D-02, 1.2100D-01, 9.5000D-01, & ! + \n & 0.0000D+00, 2.6100D-01, 7.0000D-02, 1.4900D-01, 4.0000D-02, & ! 5 \n & 0.0000D+00, 1.2800D-01, 5.0000D-03, 1.3000D-02, 0.0000D+00, & ! + \n & 1.7900D-01, 1.5600D-01, 1.4000D-01, 0.0000D+00, 1.1000D-01, & ! 6 \n & 1.2800D-01, 1.2800D-01, 2.0100D-01, 5.9000D-02, 0.0000D+00, & ! + \n & 2.6000D-02, 0.0000D+00, 4.8000D-02, 2.4000D-02, 2.4000D-02, & ! 7 \n & 2.4000D-02, 4.8000D-02, 4.8000D-02, 4.8000D-02, 4.2000D-01, & ! + \n & 4.2000D-01, 0.0000D+00, 2.0100D-01, 5.9000D-02, 4.6000D-01, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0000D-01, 1.0000D+00, 8.4000D-01, 2.0200D-01, & ! 1 \n & 1.1600D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 1.0400D-01, 1.1700D-01, 1.2400D-01, 2.6000D-02, 6.2500D-01, & ! 2 \n & 5.1000D-02, 1.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 2.9000D-02, 6.9000D-02, 8.5000D-02, & ! 6 \n & 5.0000D-02, 0.0000D+00, 8.9400D-01, 8.6400D-01, 8.6400D-01, & ! + \n & 8.6400D-01, 8.3800D-01, 5.0300D-01, 1.0000D+00, 3.0000D-02, & ! 7 \n & 7.0000D-02, 1.7370D+00, 3.5200D-01, 1.2700D-01, 1.4920D+00, & ! + \n & 8.4000D-01, 4.6900D-01, 4.6900D-01, 5.0000D-02, 1.6000D-02, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.7000D-02, & ! + \n & 1.2000D-01, 5.0000D-02, 5.0000D-02, 9.0000D-02, 4.5000D-01, & ! 1 \n & 0.0000D+00, 2.5000D-01, 0.0000D+00, 0.0000D+00, 8.0000D-01, & ! + \n & 8.0000D-01, 0.0000D+00, 9.0000D-01, 4.0000D-01, 8.0000D-01, & ! 2 \n & 3.5000D-02, 0.0000D+00, 2.1600D-01, 0.0000D+00, 1.4500D-01, & ! + \n & 1.4500D-01, 2.1600D-01, 3.5000D-01, 0.0000D+00, 1.3000D-01, & ! 3 \n & 0.0000D+00, 6.5000D-02, 6.5000D-02, 4.4000D-01, 3.9000D-01, & ! + \n & 0.0000D+00, 2.6000D-01, 0.0000D+00, 1.3000D-01, 1.3000D-01, & ! 4 \n & 4.0000D-01, 2.6000D-01, 0.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.5000D-01, & ! + \n & 0.0000D+00, 1.5000D-01, 0.0000D+00, 9.3400D-01, 0.0000D+00, & ! 6 \n & 7.0000D-01, 1.2000D+00, 1.6000D-02, 4.8000D-01, 0.0000D+00, & ! + \n & 2.4000D-01, 2.4000D-01, 4.8000D-01, 0.0000D+00, 2.6500D-01, & ! 7 \n & 0.0000D+00, 6.5000D-01, 1.5000D-01, 3.0000D-01, 1.3000D-01, & ! + \n & 0.0000D+00, 7.6000D-02, 7.6000D-02, 8.5000D-01, 1.0000D+00, & ! 8 \n & 4.4000D-01, 1.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 3.5000D-01, 1.2500D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, & ! O \n & 0.0000D+00, 7.0000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.1250D+00, 1.2500D-01, & ! 1 \n & 6.3000D-02, 6.3000D-02, 1.2500D-01, 2.9000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 5.0000D-01, 3.3000D-01, & ! 2 \n & 3.3000D-02, 1.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 4.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 5.7000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 2.0200D-01, 9.7600D-01, 1.0200D-01, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 2.6000D-03, 3.5000D-03, 5.0000D-04, 1.0430D-01, 2.0280D-01, & ! + \n & 1.2390D-01, 1.0270D-01, 7.0200D-02, 2.5770D-01, 3.8500D-02, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00/ !+ \n\n DATA ( SC( IRXXN, 6 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 4.4000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.0000D-01, & ! 7 \n & 1.0000D+00, 4.4000D-01, 1.0000D+00, 1.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 4.0000D-01, 0.0000D+00, 4.4000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 4.0000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 3.5000D-02, 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 7.4000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.9100D-01, & ! + \n & 4.5700D-01, 0.0000D+00, 0.0000D+00, 2.3900D-01, 0.0000D+00, & ! 1 \n & 9.0000D-02, 8.5000D-02, 7.4000D-02, 5.0000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 2.0100D-01, 4.3200D-01, 1.9500D-01, 2.0100D-01, 4.3200D-01, & ! + \n & 0.0000D+00, 1.1700D-01, 7.0000D-03, 1.0000D-01, 0.0000D+00, & ! 4 \n & 1.2400D-01, 0.0000D+00, 0.0000D+00, 3.3600D-01, 1.4000D-01, & ! + \n & 5.1000D-02, 4.6700D-01, 7.1000D-02, 8.7000D-02, 1.7500D-01, & ! 5 \n & 1.0200D-01, 0.0000D+00, 0.0000D+00, 1.6700D-01, 1.8500D-01, & ! + \n & 9.6700D-01, 0.0000D+00, 1.0200D-01, 2.0000D-02, 0.0000D+00, & ! 6 \n & 1.1000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.5000D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.7000D-01, & ! 2 \n & 0.0000D+00, 2.7800D-01, 9.8400D-01, 5.0000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 5.8000D-01, 1.8500D-01, 1.1500D-01, 1.5000D-02, & ! 3 \n & 8.0000D-03, 2.4000D-01, 2.0000D-03, 1.5110D+00, 2.9300D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.4000D-02, 5.4000D-02, & ! 4 \n & 8.2000D-02, 8.7000D-02, 7.6000D-02, 1.2100D-01, 1.0000D-02, & ! + \n & 0.0000D+00, 7.0400D-01, 2.6000D-02, 1.4900D-01, 1.0600D-01, & ! 5 \n & 0.0000D+00, 5.8200D-01, 5.0000D-03, 3.0000D-03, 0.0000D+00, & ! + \n & 8.3500D-01, 8.0000D-03, 1.4000D-01, 0.0000D+00, 1.1000D-01, & ! 6 \n & 1.2800D-01, 1.2800D-01, 1.0000D-03, 4.9000D-01, 0.0000D+00, & ! + \n & 1.2000D-02, 0.0000D+00, 2.2000D-02, 1.1000D-02, 1.1000D-02, & ! 7 \n & 1.1000D-02, 2.2000D-02, 2.2000D-02, 2.2000D-02, 5.3100D-01, & ! + \n & 5.3100D-01, 0.0000D+00, 1.0000D-03, 4.9000D-01, 4.6000D-01, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0000D-01, 0.0000D+00, 8.5000D-02, 2.0200D-01, & ! 1 \n & 1.9800D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 4.8200D-01, 1.4500D-01, 1.2400D-01, 2.6000D-02, 9.4700D-01, & ! 2 \n & 5.1000D-02, 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.2400D-01, 8.6300D-01, 8.5000D-02, & ! 6 \n & 1.6000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 6.8800D-01, 0.0000D+00, 4.8200D-01, & ! 7 \n & 7.0000D-02, 1.6500D-01, 2.2000D-02, 3.6000D-02, 1.0600D-01, & ! + \n & 0.0000D+00, 3.5900D-01, 3.5900D-01, 1.6000D-02, 2.2580D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 6.6000D-01, & ! + \n & 1.2000D-01, 6.0000D-02, 6.0000D-02, 1.1000D-01, 2.9000D-01, & ! 1 \n & 0.0000D+00, 2.5000D-01, 0.0000D+00, 0.0000D+00, 7.0000D-02, & ! + \n & 7.0000D-02, 0.0000D+00, 7.8500D-01, 3.5000D-02, 7.0000D-02, & ! 2 \n & 3.0000D-01, 0.0000D+00, 2.9000D-01, 0.0000D+00, 8.5000D-02, & ! + \n & 8.5000D-02, 2.1600D-01, 5.9000D-01, 0.0000D+00, 3.1000D-01, & ! 3 \n & 0.0000D+00, 1.5500D-01, 1.5500D-01, 7.0000D-02, 3.8000D-02, & ! + \n & 0.0000D+00, 1.4000D-01, 0.0000D+00, 7.0000D-02, 7.0000D-02, & ! 4 \n & 4.0000D-01, 7.0000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 5.0000D-01, & ! + \n & 0.0000D+00, 7.0000D-01, 0.0000D+00, 9.3400D-01, 0.0000D+00, & ! 6 \n & 0.0000D+00, 7.5000D-01, 1.6000D-02, 4.8000D-01, 0.0000D+00, & ! + \n & 5.0000D-01, 5.0000D-01, 1.0000D+00, 0.0000D+00, 1.1000D-01, & ! 7 \n & 0.0000D+00, 5.0000D-01, 5.0000D-01, 3.0000D-01, 1.3000D-01, & ! + \n & 0.0000D+00, 5.0000D-01, 5.0000D-01, 8.5000D-01, 0.0000D+00, & ! 8 \n & 4.4000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 1.6000D-01, 2.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 8.5000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 8.2500D-01, 8.2500D-01, & ! 1 \n & 9.1300D-01, 4.1300D-01, 8.2500D-01, 9.0000D-02, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 5.0000D-01, 6.7000D-01, & ! 2 \n & 8.0200D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 4.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 1.9000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 2.0200D-01, 1.7500D-01, 1.0200D-01, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 2.3000D-03, 2.2390D-01, 2.0510D-01, 1.8930D-01, 4.7100D-02, & ! + \n & 1.8310D-01, 2.0450D-01, 1.1160D-01, 7.3900D-02, 2.6670D-01, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00/ !+ \n\n DATA ( SC( IRXXN, 7 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.0000D-01, & ! 7 \n & 0.0000D+00, 4.4000D-01, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 4.4000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 8.8000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 1.2000D-02, 0.0000D+00, & ! 1 \n & 4.1000D-02, 1.4200D-01, 1.4700D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 3.3400D-01, 5.6800D-01, 3.0500D-01, 3.3400D-01, 5.6800D-01, & ! + \n & 0.0000D+00, 1.1400D-01, 5.8000D-01, 9.0000D-01, 0.0000D+00, & ! 4 \n & 5.0000D-02, 0.0000D+00, 0.0000D+00, 5.5000D-02, 1.2400D-01, & ! + \n & 5.7200D-01, 2.3300D-01, 7.1000D-02, 3.0300D-01, 1.7500D-01, & ! 5 \n & 7.4000D-02, 0.0000D+00, 0.0000D+00, 8.3000D-02, 5.0000D-01, & ! + \n & 3.1000D-02, 0.0000D+00, 3.4000D-01, 0.0000D+00, 0.0000D+00, & ! 6 \n & 8.4000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 2.7800D-01, 1.0000D+00, 5.0000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 4.7100D-01, 5.0000D-01, 4.6000D-01, 1.1500D-01, & ! 3 \n & 2.7500D-01, 7.5000D-01, 2.2000D-02, 3.3700D-01, 5.0000D-03, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.9000D-01, 2.3800D-01, & ! 4 \n & 1.0000D-01, 8.4000D-02, 2.8600D-01, 7.4000D-02, 5.0000D-02, & ! + \n & 0.0000D+00, 1.0000D+00, 4.4500D-01, 2.0000D-03, 2.0900D-01, & ! 5 \n & 0.0000D+00, 1.0000D-02, 3.0300D-01, 3.4000D-02, 0.0000D+00, & ! + \n & 5.1000D-01, 2.1200D-01, 7.2000D-02, 0.0000D+00, 1.5800D-01, & ! 6 \n & 8.8000D-02, 8.8000D-02, 4.1100D-01, 1.2100D-01, 0.0000D+00, & ! + \n & 2.3000D-02, 0.0000D+00, 4.3000D-02, 7.7200D-01, 2.2000D-02, & ! 7 \n & 2.2000D-02, 4.3000D-02, 4.3000D-02, 4.3000D-02, 4.8000D-02, & ! + \n & 4.8000D-02, 0.0000D+00, 4.1100D-01, 1.2100D-01, 1.2000D-02, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0000D-01, 0.0000D+00, 3.6000D-02, 9.0000D-03, & ! 1 \n & 1.1600D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 1.0600D-01, 5.0200D-01, 7.4000D-02, 2.1600D-01, 1.0000D+00, & ! 2 \n & 4.2000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 3.0600D-01, 4.5700D-01, 2.7500D-01, & ! 6 \n & 2.2580D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 6.1000D-02, 0.0000D+00, 4.8800D-01, & ! 7 \n & 7.8000D-02, 1.6500D-01, 8.0000D-02, 2.0600D-01, 1.0600D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.2580D+00, 5.8200D-01, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D-01, & ! + \n & 0.0000D+00, 2.0000D-02, 2.0000D-02, 5.0000D-02, 9.0000D-02, & ! 1 \n & 0.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, 2.3000D-01, & ! + \n & 2.3000D-01, 0.0000D+00, 1.1500D-01, 1.1500D-01, 2.3000D-01, & ! 2 \n & 8.0000D-01, 0.0000D+00, 1.7000D-01, 0.0000D+00, 5.4500D-01, & ! + \n & 5.4500D-01, 2.9000D-01, 1.5000D-01, 0.0000D+00, 3.1000D-01, & ! 3 \n & 0.0000D+00, 1.5500D-01, 1.5500D-01, 1.3000D-01, 2.9000D-02, & ! + \n & 0.0000D+00, 1.6000D+00, 0.0000D+00, 3.0000D-01, 3.0000D-01, & ! 4 \n & 2.6000D-01, 1.6000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 7.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 2.5000D-01, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 7.5000D-01, 0.0000D+00, 1.0000D+00, 0.0000D+00, 8.9000D-01, & ! 7 \n & 0.0000D+00, 2.5000D-01, 0.0000D+00, 3.0000D-01, 1.5000D-01, & ! + \n & 0.0000D+00, 2.5000D-01, 0.0000D+00, 1.5000D-01, 0.0000D+00, & ! 8 \n & 4.4000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 7.1000D-01, 5.0000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 8.5000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.0000D-01, 2.0000D-01, & ! 1 \n & 1.0000D-01, 1.0000D-01, 1.2000D+00, 1.1000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.4000D-01, & ! 2 \n & 5.4100D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 1.9000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 9.0000D-03, 1.7500D-01, 7.4000D-02, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 2.9440D-01, 1.8200D-01, 1.7640D-01, 1.6680D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00/ !+ \n\n DATA ( SC( IRXXN, 8 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.0000D-01, & ! 7 \n & 0.0000D+00, 4.4000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 5.0400D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.2000D-02, 0.0000D+00, & ! 1 \n & 2.0000D-02, 7.8200D-01, 1.3900D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 4.0700D-01, 6.5200D-01, 0.0000D+00, 4.0700D-01, 6.5200D-01, & ! + \n & 0.0000D+00, 2.7400D-01, 1.9000D-01, 3.3300D-01, 0.0000D+00, & ! 4 \n & 9.5000D-01, 0.0000D+00, 0.0000D+00, 1.2900D-01, 2.1000D-01, & ! + \n & 2.2700D-01, 0.0000D+00, 2.0000D-03, 1.6300D-01, 1.1000D-02, & ! 5 \n & 6.1000D-02, 0.0000D+00, 0.0000D+00, 2.5000D-01, 0.0000D+00, & ! + \n & 3.1000D-02, 0.0000D+00, 5.0000D-02, 0.0000D+00, 0.0000D+00, & ! 6 \n & 8.4000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 1.0000D-01, 0.0000D+00, 1.8500D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 3.7500D-01, 1.2000D-01, 1.1500D-01, & ! 3 \n & 1.2200D-01, 2.5000D-01, 7.7600D-01, 3.3700D-01, 7.0000D-03, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 5.7000D-01, 1.5100D-01, & ! 4 \n & 3.8000D-01, 2.3800D-01, 1.1200D-01, 4.0500D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.2200D-01, 2.9000D-02, 7.1000D-02, & ! 5 \n & 0.0000D+00, 7.0000D-03, 8.8000D-02, 7.7400D-01, 0.0000D+00, & ! + \n & 1.4400D-01, 3.0000D-03, 5.7900D-01, 0.0000D+00, 1.0000D-01, & ! 6 \n & 3.1200D-01, 3.1200D-01, 3.8500D-01, 1.2100D-01, 0.0000D+00, & ! + \n & 2.0000D-03, 0.0000D+00, 4.0000D-03, 2.0000D-03, 2.0000D-03, & ! 7 \n & 2.0000D-03, 4.0000D-03, 4.0000D-03, 4.0000D-03, 2.2000D-02, & ! + \n & 2.2000D-02, 0.0000D+00, 3.8500D-01, 1.2100D-01, 2.3000D-02, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 6.5000D-02, 1.8000D-02, & ! 1 \n & 5.4100D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 1.0400D-01, 2.3700D-01, 1.4700D-01, 4.8400D-01, 0.0000D+00, & ! 2 \n & 4.2000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 5.4000D-01, 4.7300D-01, 1.7700D-01, & ! 6 \n & 5.8200D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 3.1200D-01, 0.0000D+00, 1.0000D+00, & ! 7 \n & 3.4000D-01, 3.0000D-03, 2.5800D-01, 7.2000D-02, 1.9000D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 5.8200D-01, 5.8200D-01, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.3000D-02, & ! + \n & 0.0000D+00, 5.0000D-01, 5.0000D-01, 1.0000D+00, 1.1000D-01, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 2.5000D-01, 2.5000D-01, 5.0000D-01, & ! 2 \n & 7.0000D-02, 0.0000D+00, 9.0000D-02, 0.0000D+00, 4.5000D-02, & ! + \n & 4.5000D-02, 1.7000D-01, 1.3000D-01, 0.0000D+00, 7.2000D-01, & ! 3 \n & 0.0000D+00, 1.1100D+00, 3.6000D-01, 3.1000D-01, 7.3000D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 5.0000D-01, 5.0000D-01, & ! 4 \n & 1.4000D-01, 5.6000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 7.0000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 2.5000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 1.2500D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 9.3000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.7500D-01, 3.7500D-01, & ! 1 \n & 9.3800D-01, 1.8800D-01, 3.7500D-01, 5.0000D-02, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.3000D-01, & ! 2 \n & 8.2000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 1.9000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 1.8000D-02, 1.1000D-02, 6.1000D-02, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 2.0210D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00/ !+ \n\n DATA ( SC( IRXXN, 9 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 4.4000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 3.7600D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.2000D-02, 0.0000D+00, & ! 1 \n & 7.5000D-02, 2.6000D-02, 5.6500D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 1.2900D-01, 6.5200D-01, 0.0000D+00, 1.2900D-01, 6.5200D-01, & ! + \n & 0.0000D+00, 1.5300D-01, 3.6600D-01, 1.0000D-01, 0.0000D+00, & ! 4 \n & 3.5100D-01, 0.0000D+00, 0.0000D+00, 1.3000D-02, 2.3000D-02, & ! + \n & 2.1800D-01, 0.0000D+00, 2.1100D-01, 7.8000D-01, 4.2900D-01, & ! 5 \n & 2.1400D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 3.3000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 1.2000D-02, 0.0000D+00, 7.5000D-02, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.2500D-01, 3.5500D-01, 1.0000D-03, & ! 3 \n & 4.0000D-01, 0.0000D+00, 3.4000D-02, 2.9000D-02, 6.8400D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.9000D-02, 1.8100D-01, & ! 4 \n & 1.5900D-01, 1.8500D-01, 1.5900D-01, 1.1200D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 2.4000D-02, 4.3800D-01, 8.6000D-02, & ! 5 \n & 0.0000D+00, 6.6600D-01, 5.0000D-01, 1.6900D-01, 0.0000D+00, & ! + \n & 8.0000D-02, 3.0000D-03, 1.6300D-01, 0.0000D+00, 1.2300D-01, & ! 6 \n & 1.3400D-01, 1.3400D-01, 3.7000D-02, 2.4900D-01, 0.0000D+00, & ! + \n & 4.0300D-01, 0.0000D+00, 7.4600D-01, 3.7300D-01, 3.7300D-01, & ! 7 \n & 3.7300D-01, 7.4600D-01, 7.4600D-01, 7.4600D-01, 4.0000D-03, & ! + \n & 4.0000D-03, 0.0000D+00, 3.7000D-02, 2.4900D-01, 2.0000D-03, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 7.0000D-02, 1.2000D-02, & ! 1 \n & 7.0000D-03, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 1.9700D-01, 1.8600D-01, 1.3900D-01, 2.7400D-01, 0.0000D+00, & ! 2 \n & 7.1200D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, 6.7100D-01, & ! 6 \n & 5.8200D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 3.4300D-01, 3.4000D-02, 4.4000D-02, 2.1500D-01, 3.8300D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 5.8200D-01, 5.4800D-01, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 8.0000D-02, & ! + \n & 0.0000D+00, 2.5000D-01, 0.0000D+00, 0.0000D+00, 5.0000D-02, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 2.5000D-01, 0.0000D+00, 0.0000D+00, & ! 2 \n & 2.3000D-01, 0.0000D+00, 9.0000D-02, 0.0000D+00, 1.0000D+00, & ! + \n & 5.0000D-01, 9.0000D-02, 8.0000D-02, 0.0000D+00, 1.5000D-01, & ! 3 \n & 0.0000D+00, 7.5000D-02, 7.5000D-02, 3.1000D-01, 1.7000D-02, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.5000D-01, 0.0000D+00, & ! 4 \n & 6.0000D-01, 2.8000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 7.4000D-02, 7.4000D-02, & ! 1 \n & 3.7000D-02, 3.7000D-02, 7.4000D-02, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.3000D-01, & ! 2 \n & 1.8000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 1.2000D-02, 4.2900D-01, 2.1400D-01, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 1.9000D-03, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00/ !+ \n\n DATA ( SC( IRXXN, 10 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.0500D-01, 0.0000D+00, & ! 1 \n & 8.4000D-02, 5.8000D-02, 2.4000D-02, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 1.0700D-01, 6.5200D-01, 0.0000D+00, 1.0700D-01, 6.5200D-01, & ! + \n & 0.0000D+00, 1.9000D-02, 1.8400D-01, 1.0000D-01, 0.0000D+00, & ! 4 \n & 5.0000D-02, 0.0000D+00, 0.0000D+00, 1.5000D-01, 7.4200D-01, & ! + \n & 8.0000D-03, 0.0000D+00, 1.0000D-03, 1.0000D+00, 1.0000D-03, & ! 5 \n & 2.3000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 2.9000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D-03, & ! 3 \n & 1.9200D-01, 0.0000D+00, 2.0000D-02, 5.1000D-02, 6.9000D-02, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.6100D-01, 6.5000D-02, & ! 4 \n & 4.1000D-02, 1.6100D-01, 8.8000D-02, 2.2000D-02, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 3.3200D-01, 2.3600D-01, 4.0700D-01, & ! 5 \n & 0.0000D+00, 7.0000D-03, 1.1000D-02, 8.3100D-01, 0.0000D+00, & ! + \n & 2.0000D-03, 2.9900D-01, 1.1600D-01, 0.0000D+00, 7.2000D-02, & ! 6 \n & 7.7000D-02, 7.7000D-02, 7.0000D-03, 6.3000D-02, 0.0000D+00, & ! + \n & 2.3900D-01, 0.0000D+00, 4.4300D-01, 2.2200D-01, 2.2200D-01, & ! 7 \n & 2.2200D-01, 4.4300D-01, 4.4300D-01, 4.4300D-01, 7.4600D-01, & ! + \n & 7.4600D-01, 0.0000D+00, 7.0000D-03, 6.3000D-02, 4.0300D-01, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 8.4000D-01, 5.5000D-02, & ! 1 \n & 2.2000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 2.8500D-01, 6.7600D-01, 5.6500D-01, 2.7400D-01, 0.0000D+00, & ! 2 \n & 4.9800D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 6.7000D-02, & ! 6 \n & 3.5000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 7.5000D-02, 2.8700D-01, 4.1000D-02, 1.9000D-02, 3.1700D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.5000D-02, 3.5000D-02, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 8.0300D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, 7.5000D-01, & ! + \n & 0.0000D+00, 9.0000D-02, 6.0000D-01, 0.0000D+00, 1.3400D+00, & ! 3 \n & 0.0000D+00, 1.7000D-01, 1.7000D-01, 7.2000D-01, 3.6000D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 4.0000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.5100D-01, 2.5100D-01, & ! 1 \n & 1.2600D-01, 1.2600D-01, 2.5100D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.3000D-01, & ! 2 \n & 5.4100D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 5.5000D-02, 1.0000D-03, 2.3000D-01, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 2.3000D-03, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00/ !+ \n\n DATA ( SC( IRXXN, 11 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.4000D-02, 0.0000D+00, & ! 1 \n & 1.6000D-01, 6.9800D-01, 4.4800D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 2.6700D-01, 0.0000D+00, 0.0000D+00, 2.6700D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 1.9500D-01, 3.5000D-01, 1.0000D-01, 0.0000D+00, & ! 4 \n & 5.0000D-02, 0.0000D+00, 0.0000D+00, 3.3200D-01, 1.0000D-01, & ! + \n & 5.7200D-01, 0.0000D+00, 8.3000D-02, 0.0000D+00, 3.6000D-02, & ! 5 \n & 7.4000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 7.5000D-01, & ! 3 \n & 2.0400D-01, 0.0000D+00, 2.3000D-02, 1.7000D-02, 2.0000D-03, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.1600D-01, 1.9500D-01, & ! 4 \n & 3.3600D-01, 4.7000D-02, 4.5000D-02, 3.6000D-02, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 9.8300D-01, 4.2600D-01, 1.0000D+00, & ! 5 \n & 0.0000D+00, 3.6000D-02, 5.0000D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 1.2000D-02, 1.6100D-01, 2.0000D-03, 0.0000D+00, 1.8500D-01, & ! 6 \n & 2.6000D-02, 2.6000D-02, 3.0000D-03, 1.2700D-01, 0.0000D+00, & ! + \n & 5.0000D-03, 0.0000D+00, 9.0000D-03, 5.0000D-03, 5.0000D-03, & ! 7 \n & 5.0000D-03, 9.0000D-03, 9.0000D-03, 9.0000D-03, 4.4300D-01, & ! + \n & 4.4300D-01, 0.0000D+00, 3.0000D-03, 1.2700D-01, 2.3900D-01, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.5900D-01, & ! 1 \n & 2.3700D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 5.8600D-01, 2.8000D-01, 2.4000D-02, 4.8400D-01, 0.0000D+00, & ! 2 \n & 1.9500D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, & ! 6 \n & 1.5800D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 2.5300D-01, 4.1200D-01, 3.7800D-01, 3.8000D-02, 8.6000D-02, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.5800D-01, 1.5800D-01, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.5000D-01, & ! + \n & 0.0000D+00, 1.0000D+00, 3.5000D-01, 0.0000D+00, 3.5000D-01, & ! 3 \n & 0.0000D+00, 6.7500D-01, 1.7500D-01, 1.5000D-01, 1.6000D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 2.8000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, & ! 1 \n & 5.0000D-01, 5.0000D-01, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 8.3500D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 1.5900D-01, 3.6000D-02, 7.4000D-02, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00/ !+ \n\n DATA ( SC( IRXXN, 12 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.5600D-01, 0.0000D+00, & ! 1 \n & 0.0000D+00, 8.5800D-01, 2.6000D-02, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 7.8300D-01, 0.0000D+00, 0.0000D+00, 7.8300D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 1.9500D-01, 3.5000D-01, 0.0000D+00, 0.0000D+00, & ! 4 \n & 5.0000D-02, 0.0000D+00, 0.0000D+00, 1.5000D-01, 3.7200D-01, & ! + \n & 8.5000D-01, 0.0000D+00, 1.4300D-01, 0.0000D+00, 4.0000D-03, & ! 5 \n & 6.3000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.5000D-01, & ! 3 \n & 3.9000D-01, 0.0000D+00, 1.0000D+00, 3.4400D-01, 5.6000D-02, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.1400D-01, 1.9500D-01, & ! 4 \n & 1.4400D-01, 2.5300D-01, 6.7000D-02, 8.8000D-02, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.7000D-02, 1.0600D-01, 0.0000D+00, & ! 5 \n & 0.0000D+00, 1.0000D-03, 4.4000D-02, 0.0000D+00, 0.0000D+00, & ! + \n & 2.3000D-02, 1.3100D-01, 3.2000D-01, 0.0000D+00, 2.0200D-01, & ! 6 \n & 2.2100D-01, 2.2100D-01, 9.0000D-03, 3.3000D-02, 0.0000D+00, & ! + \n & 1.0000D-03, 0.0000D+00, 2.0000D-03, 1.0000D-03, 1.0000D-03, & ! 7 \n & 1.0000D-03, 2.0000D-03, 2.0000D-03, 2.0000D-03, 9.0000D-03, & ! + \n & 9.0000D-03, 0.0000D+00, 9.0000D-03, 3.3000D-02, 5.0000D-03, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 5.4700D-01, & ! 1 \n & 1.0900D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 8.5500D-01, 4.4800D-01, 7.8400D-01, 0.0000D+00, & ! 2 \n & 1.7000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 1.8500D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 9.8300D-01, 2.4700D-01, 1.0000D+00, 1.9200D-01, 4.2000D-02, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.8500D-01, 1.8500D-01, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 5.0000D-01, 5.0000D-01, 3.4000D-01, 3.4000D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 2.4000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 2.5000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 5.4700D-01, 4.0000D-03, 6.3000D-02, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00/ !+ \n\n DATA ( SC( IRXXN, 13 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 3.0000D-02, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 2.3100D-01, 1.3900D-01, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.7400D-01, 4.7000D-02, & ! + \n & 0.0000D+00, 0.0000D+00, 4.0200D-01, 0.0000D+00, 1.0000D-02, & ! 5 \n & 8.0000D-03, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 1.6000D-01, 0.0000D+00, 1.0000D+00, 2.4000D-01, 1.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 3.1200D-01, & ! 4 \n & 2.3900D-01, 2.5300D-01, 2.7800D-01, 3.5200D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.4600D-01, 0.0000D+00, & ! 5 \n & 0.0000D+00, 1.2000D-02, 3.0000D-03, 0.0000D+00, 0.0000D+00, & ! + \n & 3.1900D-01, 1.1400D-01, 3.1900D-01, 0.0000D+00, 3.0900D-01, & ! 6 \n & 2.4700D-01, 2.4700D-01, 3.0000D-03, 2.0800D-01, 0.0000D+00, & ! + \n & 4.0000D-03, 0.0000D+00, 7.0000D-03, 4.0000D-03, 4.0000D-03, & ! 7 \n & 4.0000D-03, 7.0000D-03, 7.0000D-03, 7.0000D-03, 2.0000D-03, & ! + \n & 2.0000D-03, 0.0000D+00, 3.0000D-03, 2.0800D-01, 1.0000D-03, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.5000D-02, & ! 1 \n & 5.9100D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 2.6000D-02, 0.0000D+00, 0.0000D+00, & ! 2 \n & 9.0000D-03, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 2.7400D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 1.7000D-02, 7.6000D-02, 0.0000D+00, 3.3700D-01, 2.5000D-02, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.7400D-01, 2.7400D-01, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 2.5000D-01, 0.0000D+00, 3.5000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 4.5000D-02, 1.0000D-02, 8.0000D-03, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00/ !+ \n\n DATA ( SC( IRXXN, 14 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 2.5200D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 7.9400D-01, 3.0000D-03, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 7.1100D-01, 1.0000D-03, & ! + \n & 0.0000D+00, 0.0000D+00, 1.1500D-01, 0.0000D+00, 1.7000D-01, & ! 5 \n & 1.2400D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 1.5000D-01, 0.0000D+00, 0.0000D+00, 3.4500D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 7.3000D-02, & ! 4 \n & 4.7000D-02, 1.9800D-01, 2.8600D-01, 2.3000D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 9.0000D-03, 9.0000D-03, 0.0000D+00, 0.0000D+00, & ! + \n & 6.8100D-01, 4.5300D-01, 6.8100D-01, 0.0000D+00, 3.6900D-01, & ! 6 \n & 1.7800D-01, 1.7800D-01, 2.0000D-03, 5.7000D-02, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.5000D-01, 0.0000D+00, & ! 7 \n & 0.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 7.0000D-03, & ! + \n & 7.0000D-03, 0.0000D+00, 2.0000D-03, 5.7000D-02, 4.0000D-03, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.0000D-01, & ! 1 \n & 5.1000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 3.0000D-02, 0.0000D+00, 0.0000D+00, & ! 2 \n & 9.0000D-03, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 7.0000D-03, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 1.3000D-01, 0.0000D+00, 1.6900D-01, 5.8000D-02, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 7.0000D-03, 7.0000D-03, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 3.0000D-01, 1.7000D-01, 1.2400D-01, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00/ !+ \n\n DATA ( SC( IRXXN, 15 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 7.3000D-02, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 4.0000D-03, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.8000D-02, & ! + \n & 0.0000D+00, 0.0000D+00, 3.2900D-01, 0.0000D+00, 8.0000D-03, & ! 5 \n & 8.3000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 1.0000D-01, 0.0000D+00, 0.0000D+00, 8.0000D-03, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.3500D-01, & ! 4 \n & 5.5500D-01, 5.5000D-02, 1.0200D-01, 1.5100D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 1.6800D-01, 1.8500D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 7.1000D-02, 0.0000D+00, 0.0000D+00, 1.0000D+00, & ! 6 \n & 6.8000D-02, 6.8000D-02, 4.0900D-01, 2.0000D-03, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 1.0000D+00, 1.0000D+00, 1.0000D+00, 4.2200D-01, & ! + \n & 4.2200D-01, 0.0000D+00, 4.0900D-01, 2.0000D-03, 2.2800D-01, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.0000D-02, & ! 1 \n & 4.0000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 2.5200D-01, 0.0000D+00, 0.0000D+00, & ! 2 \n & 1.1500D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 3.0000D-03, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 1.0000D+00, 0.0000D+00, 8.3100D-01, 1.6100D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.0000D-03, 3.0000D-03, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 2.0000D-02, 8.0000D-03, 8.3000D-02, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00/ !+ \n\n DATA ( SC( IRXXN, 16 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 7.3000D-02, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 3.0000D-03, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 7.0000D-03, 0.0000D+00, 3.1000D-02, & ! 5 \n & 1.9000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 2.0000D-01, 0.0000D+00, 0.0000D+00, 2.0000D-03, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, & ! 4 \n & 1.0000D+00, 5.8600D-01, 4.6100D-01, 4.3000D-02, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 1.6900D-01, 1.5900D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 3.3300D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 5.7000D-02, 5.7000D-02, 1.0000D+00, 1.7200D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.7200D-01, 1.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.0000D-03, & ! 1 \n & 6.8600D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 7.3000D-02, 0.0000D+00, 0.0000D+00, & ! 2 \n & 1.4000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 3.0000D-03, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.3000D-02, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.0000D-03, 3.0000D-03, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 3.0000D-03, 3.1000D-02, 1.9000D-01, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00/ !+ \n\n DATA ( SC( IRXXN, 17 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 7.1300D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 9.5000D-02, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 5.2800D-01, 0.0000D+00, 1.8900D-01, & ! 5 \n & 2.6100D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 8.1000D-02, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 1.0000D+00, 1.0000D+00, 7.0500D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 8.3100D-01, 2.6800D-01, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.9000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 1.0100D-01, 1.0100D-01, 1.0000D+00, 6.8000D-02, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.0000D+00, 6.8000D-02, 1.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.1000D-02, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 7.3000D-02, 0.0000D+00, 0.0000D+00, & ! 2 \n & 4.2000D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 1.5800D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.9100D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.5800D-01, 1.5800D-01, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 4.1000D-02, 1.8900D-01, 2.6100D-01, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00/ !+ \n\n DATA ( SC( IRXXN, 18 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.6300D-01, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.0500D-01, & ! 5 \n & 6.6000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.5500D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 1.1000D-02, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 5.1000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 1.0000D+00, 1.0000D+00, 0.0000D+00, 3.0000D-03, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.0000D-03, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.6000D-02, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 7.1300D-01, 0.0000D+00, 0.0000D+00, & ! 2 \n & 7.6200D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 6.0000D-03, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.1900D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 6.0000D-03, 6.0000D-03, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 4.6000D-02, 3.0500D-01, 6.6000D-02, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00/ !+ \n\n DATA ( SC( IRXXN, 19 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 1.6300D-01, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.5700D-01, & ! 5 \n & 5.9100D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 7.3700D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 5.2000D-02, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 3.3000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.9000D-02, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 3.9000D-02, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 5.4700D-01, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 6.0000D-03, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 6.8100D-01, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 6.0000D-03, 6.0000D-03, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 5.4700D-01, 1.5700D-01, 5.9100D-01, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00/ !+ \n\n DATA ( SC( IRXXN, 20 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 9.5000D-02, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 6.3600D-01, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.0000D-03, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.0000D-03, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 2.0000D-03, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 9.0800D-01, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 1.0000D-03, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D-03, 1.0000D-03, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 9.0800D-01, 6.3600D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00/ !+ \n\n DATA ( SC( IRXXN, 21 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 2.6400D-01, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 2.4000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D-03, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D-03, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 1.0900D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0900D-01, 1.0900D-01, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00/ !+ \n\n DATA ( SC( IRXXN, 22 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 6.5000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 5.0200D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 5.0200D-01, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 1.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 1.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00/ !+ \n\n DATA ( SC( IRXXN, 23 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 2.3500D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.2800D-01, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 4.2800D-01, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00/ !+ \n\n DATA ( SC( IRXXN, 24 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 3.7000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 1.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00/ !+ \n\n DATA ( SC( IRXXN, 25 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 7.3000D-02, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00/ !+ \n\n DATA ( SC( IRXXN, 26 ), IRXXN = 1, NRXNS ) / & \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 1.3600D-01, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 3 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 4 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 5 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 6 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 7 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 8 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 9 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! O \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 1 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! + \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00, & ! 2 \n & 0.0000D+00, 0.0000D+00, 0.0000D+00, 0.0000D+00/ !+ \n\n INTEGER :: NREACT( NRXNS )\n\n DATA ( NREACT( IRXXN ), IRXXN = 1, NRXNS ) / & \n & 1, 1, 2, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 2, 1, 1, 1, 2, 1, 1, 1, 1, 1, & ! 1 \n & 1, 2, 1, 2, 2, 2, 2, 1, 2, 2, & ! 2 \n & 2, 2, 1, 1, 2, 2, 2, 2, 2, 2, & ! 3 \n & 1, 2, 2, 2, 1, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 2, 2, 2, 1, 1, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 1, 1, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 1, 1, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 1, 1, 2, 1, & ! 9 \n & 2, 2, 1, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 1 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 2 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 1, 1, 2, 2, 2, 1, 2, & ! 9 \n & 2, 1, 2, 2, 1, 2, 1, 2, 2, 2, & ! O \n & 2, 2, 1, 2, 1, 2, 1, 2, 1, 1, & ! 1 \n & 1, 2, 2, 1, 2, 2, 1, 2, 2, 2, & ! 2 \n & 1, 1, 2, 1, 2, 2, 2, 1, 2, 2, & ! 3 \n & 1, 2, 2, 2, 2, 2, 2, 1, 2, 2, & ! 4 \n & 2, 1, 2, 1, 2, 1, 1, 2, 2, 2, & ! 5 \n & 2, 2, 1, 2, 1, 2, 1, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 9 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 1 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 2 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 9 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 1 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 2 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 9 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 1 \n & 2, 2, 1, 2, 2, 2, 2, 2, 2, 2, & ! 2 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 1, 2, 1, 2, & ! 8 \n & 2, 1, 1, 2, 2, 2, 2, 2, 2, 1, & ! 9 \n & 1, 1, 2, 2, 1, 2, 2, 1, 2, 2, & ! O \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 1 \n & 2, 2, 2, 2, 2, 2, 1, 2, 2, 1, & ! 2 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 1, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 1, 1, 2, 2, 2, 2, 1, & ! 9 \n & 2, 2, 2, 2, 2, 2, 1, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 2, 1, 1, 2, 2, 2, & ! 1 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 2 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 2, 2, 2, 1, 2, 1, & ! 9 \n & 2, 2, 1, 1, 2, 1, 2, 1, 2, 1, & ! O \n & 2, 2, 2, 2, 2, 2, 2, 2, 1, 2, & ! 1 \n & 2, 2, 2, 2, 1, 2, 2, 2, 2, 2, & ! 2 \n & 2, 2, 2, 2, 2, 2, 2, 1, 2, 1, & ! 3 \n & 1, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 1, 1, 1, 1, 1, 1, 2, 2, & ! 8 \n & 2, 1, 1, 1, 1, 1, 2, 2, 2, 1, & ! 9 \n & 2, 1, 2, 1, 1, 1, 1, 1, 1, 1, & ! O \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 1 \n & 2, 2, 2, 2, 2, 1, 1, 1, 1/ !2 \n INTEGER :: NPRDCT( NRXNS )\n\n DATA ( NPRDCT( IRXXN ), IRXXN = 1, NRXNS ) / & \n & 2, 1, 0, 1, 1, 1, 1, 1, 1, 1, & ! O \n & 1, 2, 1, 1, 2, 1, 2, 1, 1, 1, & ! 1 \n & 1, 1, 2, 1, 1, 2, 1, 2, 2, 1, & ! 2 \n & 2, 1, 2, 4, 1, 1, 1, 1, 3, 1, & ! 3 \n & 1, 1, 0, 3, 1, 3, 1, 1, 3, 2, & ! 4 \n & 2, 1, 0, 1, 3, 0, 0, 0, 1, 3, & ! 5 \n & 0, 0, 1, 2, 5, 3, 6, 3, 5, 2, & ! 6 \n & 2, 2, 1, 2, 8, 6, 9, 6, 7, 5, & ! 7 \n & 5, 6, 5, 1, 2, 6, 4, 7, 4, 5, & ! 8 \n & 3, 3, 4, 6, 3, 1, 2, 6, 1, 2, & ! 9 \n & 1, 1, 3, 2, 1, 2, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 2, 1, 2, 2, 2, 2, 2, & ! 1 \n & 2, 2, 2, 2, 1, 2, 2, 2, 2, 2, & ! 2 \n & 2, 2, 2, 2, 1, 2, 1, 2, 2, 2, & ! 3 \n & 2, 2, 2, 2, 1, 2, 2, 2, 2, 1, & ! 4 \n & 2, 2, 2, 2, 1, 2, 2, 2, 2, 2, & ! 5 \n & 1, 2, 2, 2, 1, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 1, 2, 1, 2, 2, 2, 2, 2, & ! 7 \n & 2, 2, 2, 2, 1, 2, 2, 2, 2, 2, & ! 8 \n & 2, 2, 2, 2, 1, 2, 3, 1, 3, 2, & ! 9 \n & 6, 6, 2, 4, 3, 10, 5, 2, 2, 6, & ! O \n & 7, 3, 3, 12, 3, 11, 12, 17, 6, 2, & ! 1 \n & 2, 3, 4, 3, 2, 3, 1, 5, 2, 1, & ! 2 \n & 1, 0, 1, 0, 2, 12, 10, 7, 12, 10, & ! 3 \n & 1, 14, 21, 11, 1, 12, 2, 4, 14, 15, & ! 4 \n & 12, 7, 17, 10, 20, 19, 3, 2, 8, 7, & ! 5 \n & 9, 1, 8, 6, 3, 8, 5, 4, 4, 6, & ! 6 \n & 2, 1, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 1, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 1, 2, 2, 2, 2, 2, 2, 2, 2, & ! 9 \n & 2, 1, 2, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 2, 1, 2, 2, 2, 2, 2, 2, 2, 2, & ! 1 \n & 2, 1, 2, 2, 2, 2, 2, 2, 2, 2, & ! 2 \n & 2, 1, 2, 2, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 1, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 1, 2, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 2, 1, 2, 2, 2, 2, 2, 2, 2, 2, & ! 6 \n & 2, 1, 2, 2, 2, 2, 2, 2, 2, 2, & ! 7 \n & 2, 1, 2, 2, 2, 2, 2, 2, 2, 2, & ! 8 \n & 2, 1, 2, 2, 2, 2, 2, 2, 2, 2, & ! 9 \n & 2, 1, 2, 2, 2, 2, 2, 2, 2, 2, & ! O \n & 2, 1, 2, 2, 2, 2, 2, 2, 2, 2, & ! 1 \n & 2, 1, 2, 2, 2, 2, 2, 2, 2, 2, & ! 2 \n & 2, 1, 2, 2, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 1, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 1, 2, 1, 2, 2, 2, 1, 1, 1, & ! 5 \n & 1, 1, 2, 1, 2, 2, 2, 1, 1, 1, & ! 6 \n & 1, 1, 2, 1, 2, 2, 2, 1, 1, 1, & ! 7 \n & 1, 2, 1, 3, 3, 3, 3, 3, 3, 3, & ! 8 \n & 3, 2, 1, 3, 3, 3, 3, 3, 3, 3, & ! 9 \n & 3, 3, 2, 1, 2, 2, 2, 2, 2, 2, & ! O \n & 2, 2, 2, 1, 2, 2, 2, 2, 2, 2, & ! 1 \n & 2, 2, 1, 5, 6, 4, 10, 7, 9, 5, & ! 2 \n & 2, 8, 9, 10, 12, 16, 8, 13, 20, 13, & ! 3 \n & 2, 5, 4, 13, 16, 16, 17, 17, 18, 7, & ! 4 \n & 4, 7, 12, 14, 11, 4, 17, 19, 10, 3, & ! 5 \n & 14, 26, 14, 3, 15, 18, 18, 17, 24, 1, & ! 6 \n & 13, 1, 13, 14, 13, 13, 15, 17, 15, 15, & ! 7 \n & 15, 3, 17, 24, 17, 3, 1, 1, 2, 1, & ! 8 \n & 1, 2, 2, 1, 2, 1, 2, 2, 1, 2, & ! 9 \n & 2, 2, 2, 1, 2, 2, 1, 2, 3, 2, & ! O \n & 3, 7, 5, 11, 20, 16, 4, 3, 4, 2, & ! 1 \n & 11, 12, 18, 12, 7, 18, 6, 1, 2, 5, & ! 2 \n & 2, 1, 2, 2, 2, 2, 2, 2, 2, 2, & ! 3 \n & 2, 1, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 1, 2, 2, 2, 2, 2, 2, 2, 2, & ! 5 \n & 2, 4, 9, 9, 11, 22, 2, 5, 5, 5, & ! 6 \n & 5, 5, 8, 5, 8, 13, 15, 12, 15, 19, & ! 7 \n & 5, 6, 6, 22, 22, 3, 2, 4, 2, 4, & ! 8 \n & 2, 4, 2, 0, 0, 1, 1, 1, 1, 0, & ! 9 \n & 1, 1, 1, 1, 1, 1, 0, 1, 2, 10, & ! O \n & 6, 9, 8, 8, 9, 2, 7, 2, 1, 7, & ! 1 \n & 7, 1, 9, 8, 8, 9, 1, 10, 1, 11, & ! 2 \n & 9, 11, 11, 1, 11, 1, 13, 12, 13, 12, & ! 3 \n & 1, 7, 1, 9, 8, 9, 12, 3, 5, 5, & ! 4 \n & 1, 3, 4, 5, 5, 3, 4, 1, 3, 6, & ! 5 \n & 4, 8, 2, 6, 1, 5, 7, 7, 6, 1, & ! 6 \n & 8, 6, 7, 1, 7, 1, 7, 6, 7, 7, & ! 7 \n & 1, 7, 6, 7, 5, 7, 5, 5, 4, 4, & ! 8 \n & 4, 8, 6, 4, 3, 7, 8, 3, 3, 4, & ! 9 \n & 2, 2, 3, 3, 5, 3, 8, 4, 4, 2, & ! O \n & 2, 3, 1, 10, 11, 12, 11, 11, 8, 3, & ! 1 \n & 2, 3, 2, 6, 10, 11, 5, 3, 5, 5, & ! 2 \n & 4, 4, 4, 8, 6, 4, 4, 3, 1, 2, & ! 3 \n & 6, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 4 \n & 2, 2, 3, 1, 1, 1, 2, 2, 2, 2, & ! 5 \n & 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, & ! 6 \n & 2, 2, 2, 2, 2, 2, 8, 0, 0, 2, & ! 7 \n & 20, 20, 19, 2, 2, 2, 1, 1, 1, 1, & ! 8 \n & 1, 0, 1, 1, 1, 1, 1, 1, 1, 1, & ! 9 \n & 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, & ! O \n & 3, 1, 3, 1, 2, 10, 7, 7, 7, 6, & ! 1 \n & 6, 6, 6, 6, 6, 2, 2, 1, 1/ !2 \n\n INTEGER, PARAMETER :: MHETERO = 24\n INTEGER :: IHETERO( MHETERO,2 )\n\n DATA ( IHETERO( IRXXN,1 ), IRXXN = 1, MHETERO ) / & \n & 884, 885, 886, 887, 888, 889, 890, 891, 893, 894, & \n & 895, 896, 897, 898, 899, 900, 901, 902, 903, 904, & \n & 912, 914, 928, 929/\n\n DATA ( IHETERO( IRXXN,2 ), IRXXN = 1, MHETERO ) / & \n & 1, 2, 3, 4, 5, 6, 6, 7, 8, 9, & \n & 9, 10, 11, 12, 13, 14, 15, 14, 15, 16, & \n & 17, 18, 19, 20/\n\n INTEGER, PARAMETER :: NPHOTAB = 40\n CHARACTER( 16 ) :: PHOTAB( NPHOTAB )\n\n DATA ( PHOTAB( IRXXN ), IRXXN = 1, NPHOTAB ) / & \n & 'NO2_06 ', 'NO3NO_06 ', 'NO3NO2_6 ', & \n & 'O3O1D_06 ', 'O3O3P_06 ', 'HONO_06 ', & \n & 'HNO3 ', 'HNO4_06 ', 'H2O2 ', & \n & 'PAN ', 'HCHOR_06 ', 'HCHOM_06 ', & \n & 'CCHO_R ', 'C2CHO ', 'ACET_06 ', & \n & 'MEK_06 ', 'COOH ', 'GLY_07R ', & \n & 'GLY_07M ', 'MGLY_06 ', 'BACL_07 ', & \n & 'BALD_06 ', 'AFG1 ', 'MVK_06 ', & \n & 'MACR_06 ', 'IC3ONO2 ', 'HOCCHO_IUPAC ', & \n & 'ACRO_09 ', 'PAA ', 'CL2 ', & \n & 'CLNO_06 ', 'CLONO ', 'CLNO2 ', & \n & 'CLONO2_1 ', 'CLONO2_2 ', 'HOCL_06 ', & \n & 'CLCCHO ', 'CLACET ', 'HPALD ', & \n & 'NOA '/\n\n INTEGER, PARAMETER :: NHETERO = 20\n CHARACTER( 16 ) :: HETERO( NHETERO )\n\n DATA ( HETERO( IRXXN ), IRXXN = 1, NHETERO ) / & \n & 'HETERO_NO2 ', 'HETERO_N2O5IJ ', 'HETERO_N2O5K ', &\n & 'HETERO_H2NO3PAIJ', 'HETERO_H2NO3PAK ', 'HETERO_H2NO3PBIJ', &\n & 'HETERO_H2NO3PBK ', 'HETERO_IEPOX ', 'HETERO_IMAE ', &\n & 'HETERO_TETROL ', 'HETERO_IEPOXOS ', 'HETERO_TETROLDIM', &\n & 'HETERO_IEPOXOSDI', 'HETERO_2MG ', 'HETERO_IMAEOS ', &\n & 'HETERO_NO3 ', 'HETERO_PNCOMLI ', 'HETERO_PNCOMLJ ', &\n & 'HETERO_GLY ', 'HETERO_MGLY '/\n\n CHARACTER( 16 ) :: RXLABEL( NRXNS )\n\n DATA ( RXLABEL( IRXXN ), IRXXN = 1, NRXNS ) / & \n & '1 ', '2 ', '3 ', & ! 0 \n & '4 ', '5 ', '6 ', & ! 1 \n & '7 ', '8 ', '9 ', & ! 2 \n & '10 ', '11 ', '12 ', & ! 3 \n & '13 ', '14 ', '15 ', & ! 4 \n & '16 ', '17 ', '18 ', & ! 5 \n & '19 ', '20 ', '21 ', & ! 6 \n & '22 ', '23 ', '24 ', & ! 7 \n & '25 ', '26 ', '27 ', & ! 8 \n & '28 ', '29 ', '30 ', & ! 9 \n & '31 ', '32 ', '33 ', & ! 0 \n & '34 ', '35 ', '36 ', & ! 1 \n & '37 ', '38 ', '39 ', & ! 2 \n & '40 ', '41 ', '42 ', & ! 3 \n & '43 ', '44 ', '45 ', & ! 4 \n & 'BR01 ', 'BR02 ', 'BR03 ', & ! 5 \n & 'BR04 ', 'BR05 ', 'BR06 ', & ! 6 \n & 'BR07 ', 'BR08 ', 'BR09 ', & ! 7 \n & 'BR10 ', 'BR11 ', 'BR12 ', & ! 8 \n & 'BR13 ', 'BR14 ', 'BR15 ', & ! 9 \n & 'BR16 ', 'BR17 ', 'BR18 ', & ! 0 \n & 'BR19 ', 'BR20 ', 'BR21 ', & ! 1 \n & 'BR22 ', 'BR23 ', 'BR24 ', & ! 2 \n & 'BR25 ', 'BR26 ', 'BR27 ', & ! 3 \n & 'BR28 ', 'BR29 ', 'BR30 ', & ! 4 \n & 'BR31 ', 'BR32 ', 'BR33 ', & ! 5 \n & 'BR34 ', 'BR35 ', 'BR36 ', & ! 6 \n & 'BR37 ', 'BR38 ', 'BR39 ', & ! 7 \n & 'BR40 ', 'BR41 ', 'BR42 ', & ! 8 \n & 'BR43 ', 'BR44 ', 'BR45 ', & ! 9 \n & 'BR46 ', 'BR47 ', 'BR48 ', & ! 0 \n & 'BR49 ', 'BR50 ', 'BR51 ', & ! 1 \n & 'BR52 ', 'BR53 ', 'BR64 ', & ! 2 \n & 'BR65 ', 'BR66 ', 'BR67 ', & ! 3 \n & 'BR68 ', 'R019 ', 'R020 ', & ! 4 \n & 'R021 ', 'R022 ', 'R023 ', & ! 5 \n & 'R024 ', 'R025 ', 'R026 ', & ! 6 \n & 'R027 ', 'R028 ', 'R029 ', & ! 7 \n & 'R030 ', 'R031 ', 'R032 ', & ! 8 \n & 'R033 ', 'R034 ', 'R035 ', & ! 9 \n & 'R036 ', 'R037 ', 'R038 ', & ! 0 \n & 'R039 ', 'R040 ', 'R041 ', & ! 1 \n & 'R042 ', 'R043 ', 'R044 ', & ! 2 \n & 'R045 ', 'R046 ', 'R047 ', & ! 3 \n & 'R048 ', 'R049 ', 'R050 ', & ! 4 \n & 'R051 ', 'R052 ', 'R053 ', & ! 5 \n & 'R054 ', 'R055 ', 'R056 ', & ! 6 \n & 'R057 ', 'R058 ', 'R059 ', & ! 7 \n & 'R060 ', 'R061 ', 'R062 ', & ! 8 \n & 'R063 ', 'R064 ', 'R065 ', & ! 9 \n & 'R066 ', 'R067 ', 'R068 ', & ! 0 \n & 'R069 ', 'R070 ', 'R071 ', & ! 1 \n & 'R072 ', 'R073 ', 'R074 ', & ! 2 \n & 'R075 ', 'R076 ', 'R077 ', & ! 3 \n & 'R078 ', 'R079 ', 'R080 ', & ! 4 \n & 'R081 ', 'R082 ', 'R083 ', & ! 5 \n & 'R084 ', 'R085 ', 'R086 ', & ! 6 \n & 'R087 ', 'R088 ', 'R089 ', & ! 7 \n & 'R090 ', 'R091 ', 'R092 ', & ! 8 \n & 'R093 ', 'R094 ', 'R095 ', & ! 9 \n & 'R096 ', 'R097 ', 'R098 ', & ! 0 \n & 'R099 ', 'R100 ', 'R101 ', & ! 1 \n & 'R102 ', 'R103 ', 'R104 ', & ! 2 \n & 'R105 ', 'R106 ', 'R107 ', & ! 3 \n & 'R108 ', 'BP01 ', 'BP02 ', & ! 4 \n & 'BP03 ', 'BP07 ', 'BP08 ', & ! 5 \n & 'BP09 ', 'BP10 ', 'BP11 ', & ! 6 \n & 'BP12 ', 'BP13 ', 'BP14 ', & ! 7 \n & 'BP15 ', 'BP16 ', 'BP17 ', & ! 8 \n & 'BP18 ', 'BP19 ', 'BP20 ', & ! 9 \n & 'BP21 ', 'BP22 ', 'BP23 ', & ! 0 \n & 'BP24 ', 'BP25 ', 'BP26 ', & ! 1 \n & 'BP27 ', 'BP28 ', 'BP29 ', & ! 2 \n & 'BP30 ', 'BP31 ', 'BP32 ', & ! 3 \n & 'BP33 ', 'BP34 ', 'BP35 ', & ! 4 \n & 'BP36 ', 'BP37 ', 'BP38 ', & ! 5 \n & 'BP39 ', 'BP40 ', 'BP41 ', & ! 6 \n & 'BP42 ', 'BP43 ', 'BP44 ', & ! 7 \n & 'BP45 ', 'BP46 ', 'BP47 ', & ! 8 \n & 'BP48 ', 'BP49 ', 'BP50 ', & ! 9 \n & 'BP51 ', 'BP52 ', 'BP53 ', & ! 0 \n & 'BP55 ', 'BP57 ', 'BP60 ', & ! 1 \n & 'BP62 ', 'BP63 ', 'BP64 ', & ! 2 \n & 'BP65 ', 'BP66 ', 'BP67 ', & ! 3 \n & 'BP68 ', 'BP69 ', 'BP70 ', & ! 4 \n & 'BP71 ', 'BP73 ', 'BP74 ', & ! 5 \n & 'BP75 ', 'BP76 ', 'BP77 ', & ! 6 \n & 'BP78 ', 'BP79 ', 'BP80 ', & ! 7 \n & 'BP81 ', 'BP82 ', 'BP83 ', & ! 8 \n & 'BP84 ', 'BP85 ', 'BP86 ', & ! 9 \n & 'P001 ', 'P002 ', 'P003 ', & ! 0 \n & 'P004 ', 'P005 ', 'P006 ', & ! 1 \n & 'P007 ', 'P008 ', 'P009 ', & ! 2 \n & 'P010 ', 'P011 ', 'P012 ', & ! 3 \n & 'P013 ', 'P014 ', 'P015 ', & ! 4 \n & 'P016 ', 'P017 ', 'P018 ', & ! 5 \n & 'P019 ', 'P020 ', 'P021 ', & ! 6 \n & 'P022 ', 'P023 ', 'P024 ', & ! 7 \n & 'P025 ', 'P026 ', 'P027 ', & ! 8 \n & 'P028 ', 'P029 ', 'P030 ', & ! 9 \n & 'P031 ', 'P032 ', 'P033 ', & ! 0 \n & 'P034 ', 'P035 ', 'P036 ', & ! 1 \n & 'P037 ', 'P038 ', 'P039 ', & ! 2 \n & 'P040 ', 'P041 ', 'P042 ', & ! 3 \n & 'P043 ', 'P044 ', 'P045 ', & ! 4 \n & 'P046 ', 'P047 ', 'P048 ', & ! 5 \n & 'P049 ', 'P050 ', 'P051 ', & ! 6 \n & 'P052 ', 'P053 ', 'P054 ', & ! 7 \n & 'P055 ', 'P056 ', 'P057 ', & ! 8 \n & 'P058 ', 'P059 ', 'P060 ', & ! 9 \n & 'P061 ', 'P062 ', 'P063 ', & ! 0 \n & 'P064 ', 'P065 ', 'P066 ', & ! 1 \n & 'P067 ', 'P068 ', 'P069 ', & ! 2 \n & 'P070 ', 'P071 ', 'P072 ', & ! 3 \n & 'P073 ', 'P074 ', 'P075 ', & ! 4 \n & 'P076 ', 'P077 ', 'P078 ', & ! 5 \n & 'P079 ', 'P080 ', 'P081 ', & ! 6 \n & 'P082 ', 'P083 ', 'P084 ', & ! 7 \n & 'P085 ', 'P086 ', 'P087 ', & ! 8 \n & 'P088 ', 'P089 ', 'P090 ', & ! 9 \n & 'P091 ', 'P092 ', 'P093 ', & ! 0 \n & 'P094 ', 'P095 ', 'P096 ', & ! 1 \n & 'P097 ', 'P098 ', 'P099 ', & ! 2 \n & 'P100 ', 'P101 ', 'P102 ', & ! 3 \n & 'P103 ', 'P104 ', 'P105 ', & ! 4 \n & 'P106 ', 'P107 ', 'P108 ', & ! 5 \n & 'P109 ', 'P110 ', 'P111 ', & ! 6 \n & 'P112 ', 'P113 ', 'P114 ', & ! 7 \n & 'P115 ', 'P116 ', 'P117 ', & ! 8 \n & 'P118 ', 'P119 ', 'P120 ', & ! 9 \n & 'P121 ', 'P122 ', 'P123 ', & ! 0 \n & 'P124 ', 'P125 ', 'P126 ', & ! 1 \n & 'P127 ', 'P128 ', 'P129 ', & ! 2 \n & 'P130 ', 'P131 ', 'P132 ', & ! 3 \n & 'P133 ', 'P134 ', 'P135 ', & ! 4 \n & 'P136 ', 'P137 ', 'P138 ', & ! 5 \n & 'P139 ', 'P140 ', 'P141 ', & ! 6 \n & 'P142 ', 'P143 ', 'P144 ', & ! 7 \n & 'P145 ', 'P146 ', 'P147 ', & ! 8 \n & 'P148 ', 'P149 ', 'P150 ', & ! 9 \n & 'P151 ', 'P152 ', 'P153 ', & ! 0 \n & 'P154 ', 'P155 ', 'P156 ', & ! 1 \n & 'P157 ', 'P158 ', 'P159 ', & ! 2 \n & 'P160 ', 'P161 ', 'P162 ', & ! 3 \n & 'P163 ', 'P164 ', 'P165 ', & ! 4 \n & 'P166 ', 'P167 ', 'P168 ', & ! 5 \n & 'P169 ', 'P170 ', 'PX161 ', & ! 6 \n & 'PX162 ', 'PX163 ', 'PX164 ', & ! 7 \n & 'PX165 ', 'PX166 ', 'PX167 ', & ! 8 \n & 'PX168 ', 'PX169 ', 'PX170 ', & ! 9 \n & 'PX170b ', 'P171 ', 'P172 ', & ! 0 \n & 'P173 ', 'P174 ', 'P175 ', & ! 1 \n & 'P176 ', 'P177 ', 'P178 ', & ! 2 \n & 'P179 ', 'P180 ', 'P181 ', & ! 3 \n & 'P182 ', 'P183 ', 'P184 ', & ! 4 \n & 'P185 ', 'P186 ', 'P187 ', & ! 5 \n & 'P188 ', 'P189 ', 'P190 ', & ! 6 \n & 'P191 ', 'P192 ', 'P193 ', & ! 7 \n & 'P194 ', 'P195 ', 'P196 ', & ! 8 \n & 'P197 ', 'P198 ', 'P199 ', & ! 9 \n & 'P200 ', 'P201 ', 'P202 ', & ! 0 \n & 'P203 ', 'P204 ', 'P205 ', & ! 1 \n & 'P206 ', 'P207 ', 'P208 ', & ! 2 \n & 'P209 ', 'P210 ', 'PZ201 ', & ! 3 \n & 'PZ202 ', 'PZ203 ', 'PZ204 ', & ! 4 \n & 'PZ205 ', 'PZ206 ', 'PZ207 ', & ! 5 \n & 'PZ208 ', 'PZ209 ', 'PZ210 ', & ! 6 \n & 'PZ210b ', 'P211 ', 'P212 ', & ! 7 \n & 'P213 ', 'P214 ', 'P215 ', & ! 8 \n & 'P216 ', 'P217 ', 'P218 ', & ! 9 \n & 'P219 ', 'P220 ', 'P221 ', & ! 0 \n & 'P222 ', 'P223 ', 'P224 ', & ! 1 \n & 'P225 ', 'P226 ', 'P227 ', & ! 2 \n & 'P228 ', 'P229 ', 'P230 ', & ! 3 \n & 'BE01 ', 'BE02 ', 'BE03 ', & ! 4 \n & 'BE04 ', 'BE05 ', 'BT01 ', & ! 5 \n & 'BT02 ', 'BT03 ', 'BT04 ', & ! 6 \n & 'BT05 ', 'BT06 ', 'BT07 ', & ! 7 \n & 'BT08 ', 'BE07 ', 'BE09 ', & ! 8 \n & 'BT09 ', 'BT10 ', 'BT11 ', & ! 9 \n & 'BT12 ', 'BE10 ', 'BE11 ', & ! 0 \n & 'BE12 ', 'BT13 ', 'BT14 ', & ! 1 \n & 'BT15 ', 'BT16 ', 'BT17 ', & ! 2 \n & 'BT18 ', 'BL01 ', 'BL02 ', & ! 3 \n & 'BL03 ', 'BL04 ', 'BL05 ', & ! 4 \n & 'AALK ', 'BL06 ', 'BL07 ', & ! 5 \n & 'BL08 ', 'BL09 ', 'BL10 ', & ! 6 \n & 'BL11 ', 'BL12 ', 'BL13 ', & ! 7 \n & 'BL14 ', 'BL15a ', 'BL15b ', & ! 8 \n & 'BL16 ', 'BL17 ', 'BL18 ', & ! 9 \n & 'BL18a ', 'BL18b ', 'BL18c ', & ! 0 \n & 'BL18d ', 'BL18e ', 'BL18f ', & ! 1 \n & 'BL18g ', 'BL18h ', 'BL18i ', & ! 2 \n & 'BL19j ', 'BL19k ', 'BL19 ', & ! 3 \n & 'BT19 ', 'BT20 ', 'BT21 ', & ! 4 \n & 'BT22 ', 'CI01 ', 'CI02 ', & ! 5 \n & 'CI03 ', 'CI04 ', 'CI05 ', & ! 6 \n & 'CI06 ', 'CI07 ', 'CI08 ', & ! 7 \n & 'CI09 ', 'CI10 ', 'CI11 ', & ! 8 \n & 'CI12 ', 'CI13 ', 'CI14 ', & ! 9 \n & 'CI15 ', 'CI16 ', 'CI17 ', & ! 0 \n & 'CI18 ', 'CI19 ', 'CI20 ', & ! 1 \n & 'CI21 ', 'CI22 ', 'CP01 ', & ! 2 \n & 'CP02 ', 'CP03 ', 'CP04 ', & ! 3 \n & 'CP05 ', 'CP06 ', 'CP07 ', & ! 4 \n & 'CP08 ', 'CP09 ', 'CP10 ', & ! 5 \n & 'CP11 ', 'CP12 ', 'CP13 ', & ! 6 \n & 'CP14 ', 'CP15 ', 'TP01 ', & ! 7 \n & 'CP17 ', 'CP18 ', 'CP19 ', & ! 8 \n & 'CP20 ', 'CP21 ', 'CP22 ', & ! 9 \n & 'CP29 ', 'CP30 ', 'CP31 ', & ! 0 \n & 'CP32 ', 'CP33 ', 'CP34 ', & ! 1 \n & 'CP35 ', 'CP36 ', 'CP37 ', & ! 2 \n & 'CP38 ', 'CP39 ', 'CP40 ', & ! 3 \n & 'CP41 ', 'CP42 ', 'CP43 ', & ! 4 \n & 'CP44 ', 'CP45 ', 'CP46 ', & ! 5 \n & 'CP47 ', 'CP48 ', 'CP49 ', & ! 6 \n & 'CP50 ', 'CP51 ', 'CP52 ', & ! 7 \n & 'CP53 ', 'CP54 ', 'CP55 ', & ! 8 \n & 'CP56 ', 'CP57 ', 'CP58 ', & ! 9 \n & 'CE01 ', 'CE02 ', 'TE01 ', & ! 0 \n & 'TE02 ', 'CE03 ', 'TE03 ', & ! 1 \n & 'CE04 ', 'TE04 ', 'TE05 ', & ! 2 \n & 'TE06 ', 'TE07 ', 'TE08 ', & ! 3 \n & 'TE09 ', 'BC01 ', 'BC02 ', & ! 4 \n & 'BC03 ', 'BC04 ', 'BC05 ', & ! 5 \n & 'BC06 ', 'BC07 ', 'BC08 ', & ! 6 \n & 'BC09a ', 'BC09b ', 'BC10 ', & ! 7 \n & 'BC11 ', 'AE51 ', 'AE52 ', & ! 8 \n & 'AE53 ', 'AE54 ', 'AE55 ', & ! 9 \n & 'AE56 ', 'AE57 ', 'AE58 ', & ! 0 \n & 'TR01 ', 'TR02 ', 'TR03 ', & ! 1 \n & 'TR05 ', 'TR06 ', 'TR07 ', & ! 2 \n & 'TR08 ', 'TR09 ', 'TR10 ', & ! 3 \n & 'TR11 ', 'TR12 ', 'TR13 ', & ! 4 \n & 'TR14 ', 'TR15 ', 'TR16 ', & ! 5 \n & 'IS1 ', 'IS2 ', 'IS3 ', & ! 6 \n & 'IS4 ', 'IS5 ', 'IS6 ', & ! 7 \n & 'IS7 ', 'IS107 ', 'IS137 ', & ! 8 \n & 'IS138 ', 'IS9 ', 'IS10 ', & ! 9 \n & 'IS11 ', 'IS12 ', 'IS13 ', & ! 0 \n & 'IS14 ', 'IS140 ', 'IS15 ', & ! 1 \n & 'IS17 ', 'IS18 ', 'IS19 ', & ! 2 \n & 'IS20 ', 'IS21 ', 'IS22 ', & ! 3 \n & 'IS24 ', 'IS25 ', 'IS26 ', & ! 4 \n & 'IS141 ', 'IS142 ', 'IS143 ', & ! 5 \n & 'IS144 ', 'IS27 ', 'IS28 ', & ! 6 \n & 'IS29 ', 'IS145 ', 'IS146 ', & ! 7 \n & 'IS147 ', 'IS148 ', 'IS30 ', & ! 8 \n & 'IS31 ', 'IS32 ', 'IS34 ', & ! 9 \n & 'IS109 ', 'IS36 ', 'IS38 ', & ! 0 \n & 'IS40 ', 'IS41 ', 'IS33 ', & ! 1 \n & 'IS35 ', 'IS37 ', 'IS39 ', & ! 2 \n & 'IS43 ', 'IS44 ', 'IS46 ', & ! 3 \n & 'IS47 ', 'IS48 ', 'IS50 ', & ! 4 \n & 'IS51 ', 'IS52 ', 'IS53 ', & ! 5 \n & 'IS55 ', 'IS102 ', 'IS103 ', & ! 6 \n & 'IS104 ', 'IS105 ', 'IS56 ', & ! 7 \n & 'IS57 ', 'IS58 ', 'IS59 ', & ! 8 \n & 'IS60 ', 'IS61 ', 'IS63 ', & ! 9 \n & 'IS64 ', 'IS65 ', 'IS66 ', & ! 0 \n & 'IS67 ', 'IS69 ', 'IS70 ', & ! 1 \n & 'IS71 ', 'IS72 ', 'IS73 ', & ! 2 \n & 'IS74 ', 'IS75 ', 'IS76 ', & ! 3 \n & 'IS77 ', 'IS78 ', 'IS108 ', & ! 4 \n & 'IS79 ', 'IS80 ', 'IS81 ', & ! 5 \n & 'IS82 ', 'IS111 ', 'IS83 ', & ! 6 \n & 'IS93 ', 'IS97 ', 'IS98 ', & ! 7 \n & 'IS84 ', 'IS106 ', 'IS85 ', & ! 8 \n & 'IS110 ', 'IS86 ', 'IS87 ', & ! 9 \n & 'IS88 ', 'IS89 ', 'IS90 ', & ! 0 \n & 'IS91 ', 'IS96 ', 'IS112 ', & ! 1 \n & 'IS113 ', 'IS114 ', 'IS92 ', & ! 2 \n & 'IS94 ', 'IS99 ', 'IS139 ', & ! 3 \n & 'IS00 ', 'BP56 ', 'BP58 ', & ! 4 \n & 'CP16 ', 'IA69 ', 'IA70 ', & ! 5 \n & 'IA71 ', 'IA72 ', 'IA73 ', & ! 6 \n & 'IA74 ', 'IA75 ', 'IA76 ', & ! 7 \n & 'IA77 ', 'IA78 ', 'IA79 ', & ! 8 \n & 'IA80 ', 'IA51 ', 'IA52 ', & ! 9 \n & 'IA53 ', 'IC01 ', 'IC02 ', & ! 0 \n & 'IC03 ', 'IC04 ', 'IC05 ', & ! 1 \n & 'IC06 ', 'IC07 ', 'IC08 ', & ! 2 \n & 'IC09 ', 'IC10 ', 'IC11 ', & ! 3 \n & 'IC12 ', 'IC13 ', 'IC14 ', & ! 4 \n & 'IC15 ', 'IC16 ', 'IC17 ', & ! 5 \n & 'IC18 ', 'IC19 ', 'IC20 ', & ! 6 \n & 'IC21 ', 'IC22 ', 'IC23 ', & ! 7 \n & 'IC24 ', 'IC25 ', 'IC26 ', & ! 8 \n & 'IC27 ', 'IC28 ', 'IC29 ', & ! 9 \n & 'IC30 ', 'IC31 ', 'IC32 ', & ! 0 \n & 'IC33 ', 'IC34 ', 'IC35 ', & ! 1 \n & 'IA108 ', 'IA90 ', 'IA91 ', & ! 2 \n & 'IA92 ', 'CP07mtp ', 'BP70mtp ', & ! 3 \n & 'BP71mtp ', 'HET_N02 ', 'HET_N2O5IJ ', & ! 4 \n & 'HET_N2O5K ', 'HET_H2NO3PIJA ', 'HET_H2NO3PKA ', & ! 5 \n & 'HET_H2NO3PIB ', 'HET_H2NO3PJB ', 'HET_H2NO3PKB ', & ! 6 \n & 'HAL_Ozone ', 'HET_IEPOX ', 'HET_IMAE ', & ! 7 \n & 'HET_IHMML ', 'HET_TETROL ', 'HET_IEPOXOS ', & ! 8 \n & 'HET_DIM1 ', 'HET_DIM2 ', 'HET_2MG1 ', & ! 9 \n & 'HET_IMAEOS1 ', 'HET_2MG2 ', 'HET_IMAEOS2 ', & ! 0 \n & 'HET_NO3 ', 'OLIG_ISOPRENE1 ', 'OLIG_ISOPRENE2 ', & ! 1 \n & 'OLIG_SESQT1 ', 'OLIG_AROMATIC1 ', 'OLIG_AROMATIC2 ', & ! 2 \n & 'OLIG_AROMATIC3 ', 'RPOAGEPI ', 'RPOAGELI ', & ! 3 \n & 'RPOAGEPJ ', 'RPOAGELJ ', 'PCSOA ', & ! 4 \n & 'POA_AGE1 ', 'POA_AGE2 ', 'POA_AGE3 ', & ! 5 \n & 'POA_AGE4 ', 'POA_AGE5 ', 'POA_AGE6 ', & ! 6 \n & 'POA_AGE7 ', 'POA_AGE8 ', 'POA_AGE9 ', & ! 7 \n & 'POA_AGE10 ', 'HYD_MT ', 'HYD_ISOP ', & ! 8 \n & 'HET_GLY ', 'HET_MGLY '/ ! \n\n! NSPECIAL = Number of special rate coefficients\n! SPECIAL = Names of special rate coefficients\n! NSPECIAL_RXN = Number of reactions with special rates\n! ISPECIAL = Pointers to reactions using special rates and their special rate coefficients\n! MAXSPECTERMS = Max Number of terms type used by special rate coefficients\n! KC_COEFFS = Coefficients of standard rate coefficients times concentration terms \n! INDEX_KTERMS = Pointers to standard rate coefficients in special rate coefficients\n! INDEX_CTERMS = Pointers to species concentrations in special rate coefficients\n! OPERATOR_COEFFS = Coefficients of preceeding special rate coefficients used in special coefficient \n! OPERATORS = Pointers to preceeding special rate coefficients used in special coefficient \n\n! Special Rate information not available ..\n INTEGER, PARAMETER :: NSPECIAL_RXN = 0\n INTEGER :: ISPECIAL( 1, 2 )\n\n! Special Rate information not available ...\n INTEGER, PARAMETER :: NSPECIAL = 0\n\n! Special Rate information not available ...\n CHARACTER( 16 ) :: SPECIAL( 1 )\n\n INTEGER, PARAMETER :: MAXSPECTERMS = 1\n REAL( 8 ) :: KC_COEFFS( NSPECIAL + 1, MAXSPECTERMS)\n INTEGER :: INDEX_KTERMS( NSPECIAL + 1, MAXSPECTERMS)\n INTEGER :: INDEX_CTERMS( NSPECIAL + 1, MAXSPECTERMS)\n REAL( 8 ) :: OPERATOR_COEFFS( NSPECIAL + 1, MAXSPECTERMS)\n INTEGER :: OPERATORS( NSPECIAL + 1, MAXSPECTERMS)\n\n\n! Steady-state species section\n! N_SS_SPC = Number of species assumed to be in steady-state\n! SS_SPC_DIM = Dimension paramete for steady-state species\n! SS_SPC = Names of species assumed to be in steady-state\n! MAX_SS_LOSS = Max no. of SS loss rxns for any SS species\n! MAX_SS_PROD = Max no. of SS prod rxns for any SS species\n! N_LOSS_RXNS = No. of SS loss rxns for each SS species\n! N_PROD_RXNS = No. of SS prod rxns for each SS species\n! SS_LOSS_RXNS = List of SS loss rxns for each SS species\n! SS_PROD_RXNS = List of SS prod rxns for each SS species\n! SS_PROD_COEF = List of SS prod yields for each SS species\n! SS_RCT_IND = SS species index if it is a rxn reactant\n\n INTEGER, PARAMETER :: N_SS_SPC = 0\n\n INTEGER, PARAMETER :: SS_SPC_DIM = 1\n\n INTEGER, PARAMETER :: MAX_SS_LOSS = 0\n\n INTEGER, PARAMETER :: MAX_SS_PROD = 0\n\n CHARACTER( 16 ) :: SS_SPC( 1 )\n\n INTEGER :: N_LOSS_RXNS( 1 )\n INTEGER :: N_PROD_RXNS( 1 )\n INTEGER :: SS_LOSS_RXNS( 1, 1 )\n INTEGER :: SS_PROD_RXNS( 1, 1 )\n INTEGER :: SS_RCT_IND( 1 )\n\n REAL :: SS_PROD_COEF( 1,1 ) \n LOGICAL, PARAMETER :: USE_SPECIAL_RATES = .FALSE.\n! pointers and names to specific photolysis rates\n INTEGER, PARAMETER :: IJ_NO2_06 = 1\n INTEGER, PARAMETER :: IJ_NO3NO_06 = 2\n INTEGER, PARAMETER :: IJ_NO3NO2_6 = 3\n INTEGER, PARAMETER :: IJ_O3O1D_06 = 4\n INTEGER, PARAMETER :: IJ_O3O3P_06 = 5\n INTEGER, PARAMETER :: IJ_HONO_06 = 6\n INTEGER, PARAMETER :: IJ_HNO3 = 7\n INTEGER, PARAMETER :: IJ_HNO4_06 = 8\n INTEGER, PARAMETER :: IJ_H2O2 = 9\n INTEGER, PARAMETER :: IJ_PAN = 10\n INTEGER, PARAMETER :: IJ_HCHOR_06 = 11\n INTEGER, PARAMETER :: IJ_HCHOM_06 = 12\n INTEGER, PARAMETER :: IJ_CCHO_R = 13\n INTEGER, PARAMETER :: IJ_C2CHO = 14\n INTEGER, PARAMETER :: IJ_ACET_06 = 15\n INTEGER, PARAMETER :: IJ_MEK_06 = 16\n INTEGER, PARAMETER :: IJ_COOH = 17\n INTEGER, PARAMETER :: IJ_GLY_07R = 18\n INTEGER, PARAMETER :: IJ_GLY_07M = 19\n INTEGER, PARAMETER :: IJ_MGLY_06 = 20\n INTEGER, PARAMETER :: IJ_BACL_07 = 21\n INTEGER, PARAMETER :: IJ_BALD_06 = 22\n INTEGER, PARAMETER :: IJ_AFG1 = 23\n INTEGER, PARAMETER :: IJ_MVK_06 = 24\n INTEGER, PARAMETER :: IJ_MACR_06 = 25\n INTEGER, PARAMETER :: IJ_IC3ONO2 = 26\n INTEGER, PARAMETER :: IJ_HOCCHO_IUPAC = 27\n INTEGER, PARAMETER :: IJ_ACRO_09 = 28\n INTEGER, PARAMETER :: IJ_PAA = 29\n INTEGER, PARAMETER :: IJ_CL2 = 30\n INTEGER, PARAMETER :: IJ_CLNO_06 = 31\n INTEGER, PARAMETER :: IJ_CLONO = 32\n INTEGER, PARAMETER :: IJ_CLNO2 = 33\n INTEGER, PARAMETER :: IJ_CLONO2_1 = 34\n INTEGER, PARAMETER :: IJ_CLONO2_2 = 35\n INTEGER, PARAMETER :: IJ_HOCL_06 = 36\n INTEGER, PARAMETER :: IJ_CLCCHO = 37\n INTEGER, PARAMETER :: IJ_CLACET = 38\n INTEGER, PARAMETER :: IJ_HPALD = 39\n INTEGER, PARAMETER :: IJ_NOA = 40\n INTEGER, PARAMETER :: IK_HETERO_NO2 = 1\n INTEGER, PARAMETER :: IK_HETERO_N2O5IJ = 2\n INTEGER, PARAMETER :: IK_HETERO_N2O5K = 3\n INTEGER, PARAMETER :: IK_HETERO_H2NO3PAIJ = 4\n INTEGER, PARAMETER :: IK_HETERO_H2NO3PAK = 5\n INTEGER, PARAMETER :: IK_HETERO_H2NO3PBIJ = 6\n INTEGER, PARAMETER :: IK_HETERO_H2NO3PBK = 7\n INTEGER, PARAMETER :: IK_HETERO_IEPOX = 8\n INTEGER, PARAMETER :: IK_HETERO_IMAE = 9\n INTEGER, PARAMETER :: IK_HETERO_TETROL = 10\n INTEGER, PARAMETER :: IK_HETERO_IEPOXOS = 11\n INTEGER, PARAMETER :: IK_HETERO_TETROLDIM = 12\n INTEGER, PARAMETER :: IK_HETERO_IEPOXOSDI = 13\n INTEGER, PARAMETER :: IK_HETERO_2MG = 14\n INTEGER, PARAMETER :: IK_HETERO_IMAEOS = 15\n INTEGER, PARAMETER :: IK_HETERO_NO3 = 16\n INTEGER, PARAMETER :: IK_HETERO_PNCOMLI = 17\n INTEGER, PARAMETER :: IK_HETERO_PNCOMLJ = 18\n INTEGER, PARAMETER :: IK_HETERO_GLY = 19\n INTEGER, PARAMETER :: IK_HETERO_MGLY = 20\n END MODULE RXNS_DATA\n" }, { "path": "CCTM/src/MECHS/saprc07tic_ae7i_aq/RXNS_FUNC_MODULE.F90", "content": " MODULE RXNS_FUNCTION\n\n\n IMPLICIT NONE\n\n\n\n! Name of Mechanism SAPRC07TIC_AE7I_AQ\n\n PUBLIC :: CALC_RCONST, SPECIAL_RATES, MAP_CHEMISTRY_SPECIES\n\n CONTAINS\n\n\n REAL( 8 ) FUNCTION POWER_T02( TEMPOT300,A0,B0 )\n IMPLICIT NONE\n! rate constant for CMAQ Arrhenuis reaction type 2\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: TEMPOT300\n REAL( 8 ), INTENT( IN ) :: A0\n REAL( 8 ), INTENT( IN ) :: B0\n ! Local: None\n POWER_T02 = A0 * TEMPOT300**B0\n RETURN\n END FUNCTION POWER_T02\n REAL( 8 ) FUNCTION ARRHENUIS_T04( INV_TEMP,TEMPOT300,A0,B0,C0 )\n IMPLICIT NONE\n! rate constant for CMAQ Arrhenuis reaction type 4\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: INV_TEMP\n REAL( 8 ), INTENT( IN ) :: TEMPOT300\n REAL( 8 ), INTENT( IN ) :: A0\n REAL( 8 ), INTENT( IN ) :: B0\n REAL( 8 ), INTENT( IN ) :: C0\n ! Local:\n INTRINSIC DEXP\n ARRHENUIS_T04 = A0 * DEXP( B0 * INV_TEMP ) * TEMPOT300**C0\n RETURN\n END FUNCTION ARRHENUIS_T04\n REAL( 8 ) FUNCTION ARRHENUIS_T03( INV_TEMP,A0,B0 )\n! rate constant for CMAQ Arrhenuis reaction type 3\n IMPLICIT NONE\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: INV_TEMP\n REAL( 8 ), INTENT(IN) :: A0\n REAL( 8 ), INTENT(IN) :: B0\n ! Local:\n INTRINSIC DEXP\n ARRHENUIS_T03 = A0 * DEXP( B0 * INV_TEMP )\n RETURN\n END FUNCTION ARRHENUIS_T03 \n REAL( 8 ) FUNCTION FALLOFF_T08(INV_TEMP,CAIR,A0,C0,A2,C2,A3,C3)\n! rate constant for CMAQ fall off reaction type 8\n IMPLICIT NONE\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: INV_TEMP\n REAL( 8 ), INTENT( IN ) :: CAIR\n REAL( 8 ), INTENT( IN ) :: A0\n REAL( 8 ), INTENT( IN ) :: C0\n REAL( 8 ), INTENT( IN ) :: A2\n REAL( 8 ), INTENT( IN ) :: C2\n REAL( 8 ), INTENT( IN ) :: A3\n REAL( 8 ), INTENT( IN ) :: C3\n ! Local:\n REAL( 8 ) K0\n REAL( 8 ) K2\n REAL( 8 ) K3\n INTRINSIC DEXP\n K0 = A0 * DEXP( C0 * INV_TEMP )\n K2 = A2 * DEXP( C2 * INV_TEMP )\n K3 = A3 * DEXP( C3 * INV_TEMP )\n K3 = K3 * CAIR\n FALLOFF_T08 = K0 + K3/( 1.0D0 + K3/K2 )\n RETURN\n END FUNCTION FALLOFF_T08\n REAL( 8 ) FUNCTION FALLOFF_T09(INV_TEMP,CAIR,A1,C1,A2,C2)\n! rate constant for CMAQ fall off reaction type 9\n IMPLICIT NONE\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: INV_TEMP\n REAL( 8 ), INTENT( IN ) :: CAIR\n REAL( 8 ), INTENT( IN ) :: A1\n REAL( 8 ), INTENT( IN ) :: C1\n REAL( 8 ), INTENT( IN ) :: A2\n REAL( 8 ), INTENT( IN ) :: C2\n ! Local:\n REAL( 8 ) K1\n REAL( 8 ) K2\n INTRINSIC DEXP\n K1 = A1 * DEXP( C1 * INV_TEMP )\n K2 = A2 * DEXP( C2 * INV_TEMP )\n FALLOFF_T09 = K1 + K2 * CAIR\n RETURN\n END FUNCTION FALLOFF_T09\n REAL( 8 ) FUNCTION FALLOFF_T10(INV_TEMP,TEMPOT300,CAIR,A0,B0,C0,A1,B1,C1,CE,CF)\n IMPLICIT NONE\n! rate constant for CMAQ fall off reaction type 10\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: INV_TEMP\n REAL( 8 ), INTENT( IN ) :: TEMPOT300\n REAL( 8 ), INTENT( IN ) :: CAIR\n REAL( 8 ), INTENT( IN ) :: A0\n REAL( 8 ), INTENT( IN ) :: B0\n REAL( 8 ), INTENT( IN ) :: C0\n REAL( 8 ), INTENT( IN ) :: A1\n REAL( 8 ), INTENT( IN ) :: B1\n REAL( 8 ), INTENT( IN ) :: C1\n REAL( 8 ), INTENT( IN ) :: CE\n REAL( 8 ), INTENT( IN ) :: CF\n ! Local:\n REAL( 8 ) K0\n REAL( 8 ) K1\n REAL( 8 ) KEND\n K0 = A0 * CAIR * DEXP(B0*INV_TEMP)* TEMPOT300**C0\n K1 = A1 * DEXP(B1*INV_TEMP) * TEMPOT300**C1\n KEND = ( ( 1.0D0 + ( ( 1.0D0 / CE ) * DLOG10( K0 / K1 ) ) ** 2.0D0 ) )\n KEND = 1.0D0 / KEND\n FALLOFF_T10 = ( K0 / ( 1.0D0 + K0/K1 ) ) * CF ** KEND\n RETURN\n END FUNCTION FALLOFF_T10\n REAL( 8 ) FUNCTION FALLOFF_T11(INV_TEMP,TEMPOT300,CAIR,A1,B1,C1,A2, B2, C2, D1, D2)\n! rate constant for CMAQ fall off reaction type 11\n! actually expanded form of type 9\n IMPLICIT NONE\n! Arguements:\n REAL( 8 ), INTENT( IN ) :: INV_TEMP\n REAL( 8 ), INTENT( IN ) :: TEMPOT300\n REAL( 8 ), INTENT( IN ) :: CAIR\n REAL( 8 ), INTENT( IN ) :: A1\n REAL( 8 ), INTENT( IN ) :: B1\n REAL( 8 ), INTENT( IN ) :: C1\n REAL( 8 ), INTENT( IN ) :: A2\n REAL( 8 ), INTENT( IN ) :: B2\n REAL( 8 ), INTENT( IN ) :: C2\n REAL( 8 ), INTENT( IN ) :: D1\n REAL( 8 ), INTENT( IN ) :: D2\n ! Local:\n REAL( 8 ) K1\n REAL( 8 ) K2\n REAL( 8 ) K3\n INTRINSIC DEXP\n K1 = A1 * DEXP( C1 * INV_TEMP ) * TEMPOT300**B1\n K2 = A2 * DEXP( C2 * INV_TEMP ) * TEMPOT300**B2\n K3 = D1 * DEXP( D2 * INV_TEMP )\n FALLOFF_T11 = K1 + K2 * CAIR + K3\n RETURN\n END FUNCTION FALLOFF_T11\n REAL( 8 ) FUNCTION HALOGEN_FALLOFF(PRESS,A1,B1,A2,B2,A3)\n IMPLICIT NONE\n REAL( 8 ), INTENT( IN ) :: PRESS\n REAL( 8 ), INTENT( IN ) :: A1\n REAL( 8 ), INTENT( IN ) :: B1\n REAL( 8 ), INTENT( IN ) :: A2\n REAL( 8 ), INTENT( IN ) :: B2\n REAL( 8 ), INTENT( IN ) :: A3 ! Maximum loss rate (1/sec)\n INTRINSIC DEXP\n HALOGEN_FALLOFF = A1 * DEXP( B1 * PRESS ) + A2 * DEXP( B2 * PRESS )\n HALOGEN_FALLOFF = DMIN1 (A3, HALOGEN_FALLOFF )\n RETURN\n END FUNCTION HALOGEN_FALLOFF\n\n SUBROUTINE SPECIAL_RATES( NUMCELLS, Y, TEMP, DENS, RKI )\n! Purpose: calculate special rate operators and update\n! appropriate rate constants\n\n USE RXNS_DATA\n IMPLICIT NONE\n\n! Arguments:\n INTEGER, INTENT( IN ) :: NUMCELLS ! Number of cells in block \n REAL( 8 ), INTENT( IN ) :: Y( :, : ) ! species concs\n REAL( 8 ), INTENT( IN ) :: TEMP( : ) ! air temperature, K \n REAL( 8 ), INTENT( IN ) :: DENS( : ) ! air density, Kg/m3\n REAL( 8 ), INTENT( INOUT ) :: RKI( :, : ) ! reaction rate constant, ppm/min \n! Local:\n REAL( 8 ), PARAMETER :: DENSITY_TO_NUMBER = 2.07930D+19 ! Kg/m3 to molecules/cm3\n\n INTEGER :: NCELL\n REAL( 8 ) :: INV_TEMP\n REAL( 8 ) :: CAIR\n REAL( 8 ) :: CFACT ! scales operator if not multiplied by RKI, cm^3/(molecule) to 1/(ppm)\n REAL( 8 ) :: CFACT_SQU ! scales operator if not multiplied by RKI, cm^6/(molec^2) to 1/(ppm^2)\n! special rate operators listed below\n\n\n\n DO NCELL = 1, NUMCELLS\n INV_TEMP = 1.0D0 / TEMP( NCELL )\n CAIR = DENSITY_TO_NUMBER * DENS( NCELL )\n CFACT = 1.0D-06 * CAIR\n CFACT_SQU = 1.0D-12 * CAIR * CAIR\n\n\n! define special rate operators\n\n\n! define rate constants in terms of special rate operators \n\n END DO\n\n RETURN\n END SUBROUTINE SPECIAL_RATES\n \n SUBROUTINE CALC_RCONST( BLKTEMP, BLKPRES, BLKH2O, RJBLK, BLKHET, LSUNLIGHT, SEAWATER, RKI, NUMCELLS )\n\n!**********************************************************************\n\n! Function: To compute thermal and photolytic reaction rate\n! coefficients for each reaction.\n\n! Preconditions: Photolysis rates for individual species must have\n! been calculated and stored in RJPHOT. Expects\n! temperature in deg K, pressure in atm., water\n! vapor in ppmV, and J-values in /min.\n! Key Subroutines/Functions Called: POWER_02, ARRHRENUIS_T0*, FALLOFF_T*, HALOGEN_FALLOFF \n!***********************************************************************\n\n\n\n\n USE RXNS_DATA\n\n IMPLICIT NONE \n\n! Arguements: None \n\n REAL( 8 ), INTENT( IN ) :: BLKTEMP( : ) ! temperature, deg K \n REAL( 8 ), INTENT( IN ) :: BLKPRES( : ) ! pressure, Atm\n REAL( 8 ), INTENT( IN ) :: BLKH2O ( : ) ! water mixing ratio, ppm \n REAL( 8 ), INTENT( IN ) :: RJBLK ( :, : ) ! photolysis rates, 1/min \n REAL( 8 ), INTENT( IN ) :: BLKHET ( :, : ) ! heterogeneous rate constants, ???/min\n INTEGER, INTENT( IN ) :: NUMCELLS ! Number of cells in block \n LOGICAL, INTENT( IN ) :: LSUNLIGHT ! Is there sunlight? \n REAL( 8 ), INTENT( IN ) :: SEAWATER( : ) ! fractional area of OPEN+SURF \n REAL( 8 ), INTENT( OUT ) :: RKI ( :, : ) ! reaction rate constant, ppm/min \n!..Parameters: \n\n REAL( 8 ), PARAMETER :: COEF1 = 7.33981D+15 ! Molec/cc to ppm conv factor \n REAL( 8 ), PARAMETER :: CONSTC = 0.6D+0 ! Constant for reaction type 7\n REAL( 8 ), PARAMETER :: TI300 = 1.0D+0/300.0D+0 ! reciprocal of 300 deg K\n REAL( 8 ), PARAMETER :: SFACT = 60.D+0 ! seconds per minute \n!..External Functions: None\n\n!..Local Variables:\n\n INTEGER :: NRT ! Loop index for reaction types \n INTEGER :: IRXN ! Reaction number\n INTEGER :: JNUM ! J-value species # from PHOT)\n INTEGER :: KNUM ! Reaction # for a relative rate coeff.\n INTEGER :: N ! Loop index for reactions\n INTEGER :: NCELL ! Loop index for # of cells in the block\n REAL( 8 ) :: CAIR ! air number density (wet) [molec/cm^3]\n REAL( 8 ) :: CFACT ! Convertor cm^3/(molec*sec) to 1/(ppm*min)\n REAL( 8 ) :: CFACT_SQU ! Convertor cm^6/(molec^2*sec) to 1/(ppm^2*min)\n REAL( 8 ) :: INV_CFACT ! ppm/min to molec/(cm^3*sec)\n REAL( 8 ) :: TEMPOT300 ! temperature divided by 300 K, dimensionaless \n REAL( 8 ) :: INV_TEMP ! reciprocal of air temperature, K-1\n REAL( 8 ) :: INV_CAIR ! reciprocal of air number density (wet), [cm^3/molec]\n REAL( 8 ) :: TEMP ! air temperature, K\n REAL( 8 ) :: PRESS ! pressure [Atm] \n REAL( 8 ) :: INV_RFACT ! ppm/min to molec/(cm^3*min)\n REAL( 8 ) :: RFACT_SQU ! cm^6/(molec^2*min) to 1/(ppm^2*min)\n REAL( 8 ) :: RFACT ! cm^3/(molec*min) to 1/(ppm*min)\n REAL( 8 ) :: H2O ! concentration, [molec/cm^3] \n\n RKI = 0.0D0 \n\n! All rate constants converted from molec/cm3 to ppm\n! and 1/sec to 1/min\n\n IF( LSUNLIGHT )THEN \n DO NCELL = 1, NUMCELLS \n\n! Reaction Label 1 \n RKI( NCELL, 1) = RJBLK( NCELL, IJ_NO2_06 )\n! Reaction Label 16 \n RKI( NCELL, 16) = RJBLK( NCELL, IJ_NO3NO_06 )\n! Reaction Label 17 \n RKI( NCELL, 17) = RJBLK( NCELL, IJ_NO3NO2_6 )\n! Reaction Label 18 \n RKI( NCELL, 18) = RJBLK( NCELL, IJ_O3O1D_06 )\n! Reaction Label 19 \n RKI( NCELL, 19) = RJBLK( NCELL, IJ_O3O3P_06 )\n! Reaction Label 23 \n RKI( NCELL, 23) = RJBLK( NCELL, IJ_HONO_06 )\n! Reaction Label 28 \n RKI( NCELL, 28) = RJBLK( NCELL, IJ_HNO3 )\n! Reaction Label 34 \n RKI( NCELL, 34) = RJBLK( NCELL, IJ_HNO4_06 )\n! Reaction Label 41 \n RKI( NCELL, 41) = RJBLK( NCELL, IJ_H2O2 )\n! Reaction Label BR20 \n RKI( NCELL, 65) = RJBLK( NCELL, IJ_PAN )\n! Reaction Label BR30 \n RKI( NCELL, 75) = RJBLK( NCELL, IJ_PAN )\n! Reaction Label BR41 \n RKI( NCELL, 86) = RJBLK( NCELL, IJ_PAN )\n! Reaction Label BR53 \n RKI( NCELL, 98) = RJBLK( NCELL, IJ_PAN )\n! Reaction Label BP01 \n RKI( NCELL, 194) = RJBLK( NCELL, IJ_HCHOR_06 )\n! Reaction Label BP02 \n RKI( NCELL, 195) = RJBLK( NCELL, IJ_HCHOM_06 )\n! Reaction Label BP09 \n RKI( NCELL, 199) = RJBLK( NCELL, IJ_CCHO_R )\n! Reaction Label BP12 \n RKI( NCELL, 202) = RJBLK( NCELL, IJ_C2CHO )\n! Reaction Label BP15 \n RKI( NCELL, 205) = 5.0000D-01 * RJBLK( NCELL, IJ_ACET_06 )\n! Reaction Label BP17 \n RKI( NCELL, 207) = 1.7500D-01 * RJBLK( NCELL, IJ_MEK_06 )\n! Reaction Label BP23 \n RKI( NCELL, 213) = RJBLK( NCELL, IJ_COOH )\n! Reaction Label BP25 \n RKI( NCELL, 215) = RJBLK( NCELL, IJ_COOH )\n! Reaction Label BP27 \n RKI( NCELL, 217) = RJBLK( NCELL, IJ_COOH )\n! Reaction Label BP29 \n RKI( NCELL, 219) = RJBLK( NCELL, IJ_COOH )\n! Reaction Label BP30 \n RKI( NCELL, 220) = RJBLK( NCELL, IJ_GLY_07R )\n! Reaction Label BP31 \n RKI( NCELL, 221) = RJBLK( NCELL, IJ_GLY_07M )\n! Reaction Label BP34 \n RKI( NCELL, 224) = RJBLK( NCELL, IJ_MGLY_06 )\n! Reaction Label BP37 \n RKI( NCELL, 227) = RJBLK( NCELL, IJ_BACL_07 )\n! Reaction Label BP41 \n RKI( NCELL, 231) = 1.5000D-03 * RJBLK( NCELL, IJ_NO2_06 )\n! Reaction Label BP42 \n RKI( NCELL, 232) = 1.5000D-02 * RJBLK( NCELL, IJ_NO2_06 )\n! Reaction Label BP44 \n RKI( NCELL, 234) = 6.0000D-02 * RJBLK( NCELL, IJ_BALD_06 )\n! Reaction Label BP48 \n RKI( NCELL, 238) = RJBLK( NCELL, IJ_AFG1 )\n! Reaction Label BP51 \n RKI( NCELL, 241) = RJBLK( NCELL, IJ_AFG1 )\n! Reaction Label BP63 \n RKI( NCELL, 248) = RJBLK( NCELL, IJ_MVK_06 )\n! Reaction Label BP67 \n RKI( NCELL, 252) = RJBLK( NCELL, IJ_MACR_06 )\n! Reaction Label BP69 \n RKI( NCELL, 254) = 4.8600D-03 * RJBLK( NCELL, IJ_MEK_06 )\n! Reaction Label BP71 \n RKI( NCELL, 256) = RJBLK( NCELL, IJ_IC3ONO2 )\n! Reaction Label BP73 \n RKI( NCELL, 257) = RJBLK( NCELL, IJ_HOCCHO_IUPAC )\n! Reaction Label BP79 \n RKI( NCELL, 263) = RJBLK( NCELL, IJ_ACRO_09 )\n! Reaction Label BP81 \n RKI( NCELL, 265) = RJBLK( NCELL, IJ_PAA )\n! Reaction Label BP83 \n RKI( NCELL, 267) = RJBLK( NCELL, IJ_PAA )\n! Reaction Label CI01 \n RKI( NCELL, 587) = RJBLK( NCELL, IJ_CL2 )\n! Reaction Label CI03 \n RKI( NCELL, 589) = RJBLK( NCELL, IJ_CLNO_06 )\n! Reaction Label CI06 \n RKI( NCELL, 592) = RJBLK( NCELL, IJ_CLONO )\n! Reaction Label CI07 \n RKI( NCELL, 593) = RJBLK( NCELL, IJ_CLNO2 )\n! Reaction Label CI14 \n RKI( NCELL, 600) = RJBLK( NCELL, IJ_CLONO2_1 )\n! Reaction Label CI15 \n RKI( NCELL, 601) = RJBLK( NCELL, IJ_CLONO2_2 )\n! Reaction Label CI19 \n RKI( NCELL, 605) = RJBLK( NCELL, IJ_HOCL_06 )\n! Reaction Label CP19 \n RKI( NCELL, 627) = RJBLK( NCELL, IJ_CLCCHO )\n! Reaction Label CP22 \n RKI( NCELL, 630) = 5.0000D-01 * RJBLK( NCELL, IJ_CLACET )\n! Reaction Label TR01 \n RKI( NCELL, 694) = RJBLK( NCELL, IJ_HCHOR_06 )\n! Reaction Label TR02 \n RKI( NCELL, 695) = RJBLK( NCELL, IJ_HCHOM_06 )\n! Reaction Label TR08 \n RKI( NCELL, 700) = RJBLK( NCELL, IJ_CCHO_R )\n! Reaction Label TR15 \n RKI( NCELL, 707) = RJBLK( NCELL, IJ_ACRO_09 )\n! Reaction Label IS137 \n RKI( NCELL, 717) = RJBLK( NCELL, IJ_HPALD )\n! Reaction Label IS81 \n RKI( NCELL, 798) = 1.7500D-01 * RJBLK( NCELL, IJ_MEK_06 )\n! Reaction Label IS111 \n RKI( NCELL, 800) = RJBLK( NCELL, IJ_NOA )\n! Reaction Label IS97 \n RKI( NCELL, 803) = RJBLK( NCELL, IJ_NOA )\n! Reaction Label IS98 \n RKI( NCELL, 804) = RJBLK( NCELL, IJ_IC3ONO2 )\n! Reaction Label IS106 \n RKI( NCELL, 806) = RJBLK( NCELL, IJ_NOA )\n! Reaction Label IS110 \n RKI( NCELL, 808) = RJBLK( NCELL, IJ_C2CHO )\n! Reaction Label IS87 \n RKI( NCELL, 810) = RJBLK( NCELL, IJ_MGLY_06 )\n! Reaction Label IS92 \n RKI( NCELL, 819) = RJBLK( NCELL, IJ_COOH )\n! Reaction Label BP58 \n RKI( NCELL, 825) = RJBLK( NCELL, IJ_MACR_06 )\n! Reaction Label IA53 \n RKI( NCELL, 841) = RJBLK( NCELL, IJ_PAN )\n! Reaction Label BP71mtp \n RKI( NCELL, 883) = RJBLK( NCELL, IJ_IC3ONO2 )\n\n IF ( SEAWATER (NCELL) .GT. 0.001D0 ) THEN\n! Reaction Label HAL_Ozone \n RKI( NCELL, 892) = SEAWATER (NCELL) * SFACT * HALOGEN_FALLOFF( BLKPRES( NCELL ), 6.7006D-11, 1.0743D+01, & \n & 3.4153D-08, -6.7130D-01, 2.0000D-06 )\n ELSE\n RKI( NCELL, 892) = 0.0D0 \n END IF\n\n END DO \n END IF \n\n DO NCELL = 1, NUMCELLS \n! Set-up conversion factors \n INV_TEMP = 1.0D+00 / BLKTEMP( NCELL ) \n CAIR = 1.0D+06 * COEF1 * BLKPRES( NCELL ) * INV_TEMP \n CFACT = 6.0D-05 * CAIR\n CFACT_SQU = 6.0D-11 * CAIR * CAIR \n INV_CAIR = 1.0D0 / CAIR \n INV_CFACT = 6.0D+07 * INV_CAIR \n TEMP = BLKTEMP( NCELL ) \n TEMPOT300 = BLKTEMP( NCELL ) * TI300 \n RFACT = 1.0D+06 * INV_CAIR \n RFACT_SQU = 1.0D+12 * INV_CAIR * INV_CAIR \n\n! Reaction Label 2 \n RKI( NCELL, 2) = CFACT_SQU * POWER_T02( TEMPOT300, 5.6800D-34, -2.6000D+00 )\n! Reaction Label 3 \n RKI( NCELL, 3) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.0000D-12, -2.0600D+03 )\n! Reaction Label 4 \n RKI( NCELL, 4) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 9.0000D-32, 0.0000D+00, -1.5000D+00, & \n & 3.0000D-11, 0.0000D+00, 0.0000D+00, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label 5 \n RKI( NCELL, 5) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.5000D-12, 1.8800D+02 )\n! Reaction Label 6 \n RKI( NCELL, 6) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 2.5000D-31, 0.0000D+00, -1.8000D+00, & \n & 2.2000D-11, 0.0000D+00, -7.0000D-01, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label 7 \n RKI( NCELL, 7) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.0000D-12, -1.5000D+03 )\n! Reaction Label 8 \n RKI( NCELL, 8) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.4000D-13, -2.4700D+03 )\n! Reaction Label 9 \n RKI( NCELL, 9) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.8000D-11, 1.1000D+02 )\n! Reaction Label 10 \n RKI( NCELL, 10) = CFACT_SQU * ARRHENUIS_T03( INV_TEMP, 3.3000D-39, 5.3000D+02 )\n! Reaction Label 11 \n RKI( NCELL, 11) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 3.6000D-30, 0.0000D+00, -4.1000D+00, & \n & 1.9000D-12, 0.0000D+00, 2.0000D-01, & \n & 1.3300D+00, 3.5000D-01 )\n! Reaction Label 12 \n RKI( NCELL, 12) = SFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 1.3000D-03, -1.1000D+04, -3.5000D+00, & \n & 9.7000D+14, -1.1080D+04, 1.0000D-01, & \n & 1.3300D+00, 3.5000D-01 )\n! Reaction Label 13 \n RKI( NCELL, 13) = 1.0000D-22 * CFACT \n! Reaction Label 14 \n RKI( NCELL, 14) = 0.0000D+00 * CFACT_SQU \n! Reaction Label 15 \n RKI( NCELL, 15) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.5000D-14, -1.2600D+03 )\n! Reaction Label 20 \n RKI( NCELL, 20) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.6300D-10, 6.0000D+01 )\n! Reaction Label 21 \n RKI( NCELL, 21) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.3800D-11, 9.6000D+01 )\n! Reaction Label 22 \n RKI( NCELL, 22) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 7.0000D-31, 0.0000D+00, -2.6000D+00, & \n & 3.6000D-11, 0.0000D+00, -1.0000D-01, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label 24 \n RKI( NCELL, 24) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.5000D-12, 2.6000D+02 )\n! Reaction Label 25 \n RKI( NCELL, 25) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 3.2000D-30, 0.0000D+00, -4.5000D+00, & \n & 3.0000D-11, 0.0000D+00, 0.0000D+00, & \n & 1.2400D+00, 4.1000D-01 )\n! Reaction Label 26 \n RKI( NCELL, 26) = 2.0000D-11 * CFACT \n! Reaction Label 27 \n RKI( NCELL, 27) = CFACT * FALLOFF_T08( INV_TEMP, CAIR, & \n & 2.4000D-14, 4.6000D+02, 2.7000D-17, & \n & 2.1990D+03, 6.5000D-34, 1.3350D+03 )\n! Reaction Label 29 \n RKI( NCELL, 29) = CFACT * FALLOFF_T09( INV_TEMP, CAIR, & \n & 1.4400D-13, 0.0000D+00, 3.4300D-33, & \n & 0.0000D+00 )\n! Reaction Label 30 \n RKI( NCELL, 30) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.7000D-12, -9.4000D+02 )\n! Reaction Label 31 \n RKI( NCELL, 31) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.6000D-12, 2.7000D+02 )\n! Reaction Label 32 \n RKI( NCELL, 32) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 2.0000D-31, 0.0000D+00, -3.4000D+00, & \n & 2.9000D-12, 0.0000D+00, -1.1000D+00, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label 33 \n RKI( NCELL, 33) = SFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 3.7200D-05, -1.0650D+04, -2.4000D+00, & \n & 5.4200D+15, -1.1170D+04, -2.3000D+00, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label 35 \n RKI( NCELL, 35) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.3000D-12, 3.8000D+02 )\n! Reaction Label 36 \n RKI( NCELL, 36) = CFACT * ARRHENUIS_T04( INV_TEMP, TEMPOT300, & \n & 2.0300D-16, 6.9300D+02, 4.5700D+00 )\n! Reaction Label 37 \n RKI( NCELL, 37) = CFACT * FALLOFF_T09( INV_TEMP, CAIR, & \n & 2.2000D-13, 6.0000D+02, 1.9000D-33, & \n & 9.8000D+02 )\n! Reaction Label 38 \n RKI( NCELL, 38) = CFACT_SQU * FALLOFF_T09( INV_TEMP, CAIR, & \n & 3.0800D-34, 2.8000D+03, 2.6600D-54, & \n & 3.1800D+03 )\n! Reaction Label 39 \n RKI( NCELL, 39) = 4.0000D-12 * CFACT \n! Reaction Label 40 \n RKI( NCELL, 40) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.5000D-13, -2.4500D+03 )\n! Reaction Label 42 \n RKI( NCELL, 42) = 1.8000D-12 * CFACT \n! Reaction Label 43 \n RKI( NCELL, 43) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.8000D-11, 2.5000D+02 )\n! Reaction Label 44 \n RKI( NCELL, 44) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 3.3000D-31, 0.0000D+00, -4.3000D+00, & \n & 1.6000D-12, 0.0000D+00, 0.0000D+00, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label 45 \n RKI( NCELL, 45) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.7000D-12, -2.1000D+03 )\n! Reaction Label BR01 \n RKI( NCELL, 46) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.3000D-12, 3.6000D+02 )\n! Reaction Label BR02 \n RKI( NCELL, 47) = CFACT * ARRHENUIS_T04( INV_TEMP, TEMPOT300, & \n & 3.4600D-13, 7.8000D+02, 3.6000D-01 )\n! Reaction Label BR03 \n RKI( NCELL, 48) = CFACT * ARRHENUIS_T04( INV_TEMP, TEMPOT300, & \n & 3.3400D-14, 7.8000D+02, -3.5300D+00 )\n! Reaction Label BR04 \n RKI( NCELL, 49) = 1.3000D-12 * CFACT \n! Reaction Label BR05 \n RKI( NCELL, 50) = CFACT * ARRHENUIS_T04( INV_TEMP, TEMPOT300, & \n & 6.3900D-14, 3.6500D+02, -1.8000D+00 )\n! Reaction Label BR06 \n RKI( NCELL, 51) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4000D-13, -5.2000D+02 )\n! Reaction Label BR07 \n RKI( NCELL, 52) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.6000D-12, 3.8000D+02 )\n! Reaction Label BR08 \n RKI( NCELL, 53) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.8000D-13, 9.0000D+02 )\n! Reaction Label BR09 \n RKI( NCELL, 54) = 2.3000D-12 * CFACT \n! Reaction Label BR10 \n RKI( NCELL, 55) = 2.0000D-13 * CFACT \n! Reaction Label BR11 \n RKI( NCELL, 56) = 3.5000D-14 * CFACT \n! Reaction Label BR12 \n RKI( NCELL, 57) = RKI( NCELL, 52 ) \n! Reaction Label BR13 \n RKI( NCELL, 58) = RKI( NCELL, 53 ) \n! Reaction Label BR14 \n RKI( NCELL, 59) = RKI( NCELL, 54 ) \n! Reaction Label BR15 \n RKI( NCELL, 60) = RKI( NCELL, 55 ) \n! Reaction Label BR16 \n RKI( NCELL, 61) = RKI( NCELL, 56 ) \n! Reaction Label BR17 \n RKI( NCELL, 62) = RKI( NCELL, 56 ) \n! Reaction Label BR18 \n RKI( NCELL, 63) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 2.7000D-28, 0.0000D+00, -7.1000D+00, & \n & 1.2100D-11, 0.0000D+00, -9.0000D-01, & \n & 1.4100D+00, 3.0000D-01 )\n! Reaction Label BR19 \n RKI( NCELL, 64) = SFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 4.9000D-03, -1.2100D+04, 0.0000D+00, & \n & 4.0000D+16, -1.3600D+04, 0.0000D+00, & \n & 1.4100D+00, 3.0000D-01 )\n! Reaction Label BR21 \n RKI( NCELL, 66) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.5000D-12, 2.9000D+02 )\n! Reaction Label BR22 \n RKI( NCELL, 67) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.2000D-13, 9.8000D+02 )\n! Reaction Label BR23 \n RKI( NCELL, 68) = RKI( NCELL, 54 ) \n! Reaction Label BR24 \n RKI( NCELL, 69) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.0000D-12, 5.0000D+02 )\n! Reaction Label BR25 \n RKI( NCELL, 70) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.4000D-13, 1.0700D+03 )\n! Reaction Label BR26 \n RKI( NCELL, 71) = RKI( NCELL, 70 ) \n! Reaction Label BR27 \n RKI( NCELL, 72) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9000D-12, 5.0000D+02 )\n! Reaction Label BR28 \n RKI( NCELL, 73) = CFACT * ARRHENUIS_T04( INV_TEMP, TEMPOT300, & \n & 1.2100D-11, 0.0000D+00, -1.0700D+00 )\n! Reaction Label BR29 \n RKI( NCELL, 74) = SFACT * ARRHENUIS_T03( INV_TEMP, 8.3000D+16, -1.3940D+04 )\n! Reaction Label BR31 \n RKI( NCELL, 76) = CFACT * ARRHENUIS_T03( INV_TEMP, 6.7000D-12, 3.4000D+02 )\n! Reaction Label BR32 \n RKI( NCELL, 77) = RKI( NCELL, 67 ) \n! Reaction Label BR33 \n RKI( NCELL, 78) = RKI( NCELL, 54 ) \n! Reaction Label BR34 \n RKI( NCELL, 79) = RKI( NCELL, 69 ) \n! Reaction Label BR35 \n RKI( NCELL, 80) = RKI( NCELL, 70 ) \n! Reaction Label BR36 \n RKI( NCELL, 81) = RKI( NCELL, 70 ) \n! Reaction Label BR37 \n RKI( NCELL, 82) = RKI( NCELL, 72 ) \n! Reaction Label BR38 \n RKI( NCELL, 83) = RKI( NCELL, 72 ) \n! Reaction Label BR39 \n RKI( NCELL, 84) = 1.3700D-11 * CFACT \n! Reaction Label BR40 \n RKI( NCELL, 85) = SFACT * ARRHENUIS_T03( INV_TEMP, 7.9000D+16, -1.4000D+04 )\n! Reaction Label BR42 \n RKI( NCELL, 87) = RKI( NCELL, 76 ) \n! Reaction Label BR43 \n RKI( NCELL, 88) = RKI( NCELL, 67 ) \n! Reaction Label BR44 \n RKI( NCELL, 89) = RKI( NCELL, 54 ) \n! Reaction Label BR45 \n RKI( NCELL, 90) = RKI( NCELL, 69 ) \n! Reaction Label BR46 \n RKI( NCELL, 91) = RKI( NCELL, 70 ) \n! Reaction Label BR47 \n RKI( NCELL, 92) = RKI( NCELL, 70 ) \n! Reaction Label BR48 \n RKI( NCELL, 93) = RKI( NCELL, 72 ) \n! Reaction Label BR49 \n RKI( NCELL, 94) = RKI( NCELL, 72 ) \n! Reaction Label BR50 \n RKI( NCELL, 95) = RKI( NCELL, 72 ) \n! Reaction Label BR51 \n RKI( NCELL, 96) = RKI( NCELL, 73 ) \n! Reaction Label BR52 \n RKI( NCELL, 97) = SFACT * ARRHENUIS_T03( INV_TEMP, 1.6000D+16, -1.3486D+04 )\n! Reaction Label BR64 \n RKI( NCELL, 99) = 2.4000D-11 * CFACT \n! Reaction Label BR65 \n RKI( NCELL, 100) = SFACT * ARRHENUIS_T03( INV_TEMP, 7.5000D+14, -8.1520D+03 )\n! Reaction Label BR66 \n RKI( NCELL, 101) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.3000D-11, 1.5000D+02 )\n! Reaction Label BR67 \n RKI( NCELL, 102) = RKI( NCELL, 53 ) \n! Reaction Label BR68 \n RKI( NCELL, 103) = 1.0000D-03 * SFACT \n! Reaction Label R019 \n RKI( NCELL, 104) = RKI( NCELL, 52 ) \n! Reaction Label R020 \n RKI( NCELL, 105) = RKI( NCELL, 53 ) \n! Reaction Label R021 \n RKI( NCELL, 106) = RKI( NCELL, 54 ) \n! Reaction Label R022 \n RKI( NCELL, 107) = RKI( NCELL, 55 ) \n! Reaction Label R023 \n RKI( NCELL, 108) = RKI( NCELL, 56 ) \n! Reaction Label R024 \n RKI( NCELL, 109) = RKI( NCELL, 56 ) \n! Reaction Label R025 \n RKI( NCELL, 110) = RKI( NCELL, 70 ) \n! Reaction Label R026 \n RKI( NCELL, 111) = RKI( NCELL, 70 ) \n! Reaction Label R027 \n RKI( NCELL, 112) = RKI( NCELL, 70 ) \n! Reaction Label R028 \n RKI( NCELL, 113) = RKI( NCELL, 70 ) \n! Reaction Label R029 \n RKI( NCELL, 114) = RKI( NCELL, 52 ) \n! Reaction Label R030 \n RKI( NCELL, 115) = RKI( NCELL, 53 ) \n! Reaction Label R031 \n RKI( NCELL, 116) = RKI( NCELL, 54 ) \n! Reaction Label R032 \n RKI( NCELL, 117) = RKI( NCELL, 55 ) \n! Reaction Label R033 \n RKI( NCELL, 118) = RKI( NCELL, 56 ) \n! Reaction Label R034 \n RKI( NCELL, 119) = RKI( NCELL, 56 ) \n! Reaction Label R035 \n RKI( NCELL, 120) = RKI( NCELL, 70 ) \n! Reaction Label R036 \n RKI( NCELL, 121) = RKI( NCELL, 70 ) \n! Reaction Label R037 \n RKI( NCELL, 122) = RKI( NCELL, 70 ) \n! Reaction Label R038 \n RKI( NCELL, 123) = RKI( NCELL, 70 ) \n! Reaction Label R039 \n RKI( NCELL, 124) = RKI( NCELL, 52 ) \n! Reaction Label R040 \n RKI( NCELL, 125) = RKI( NCELL, 53 ) \n! Reaction Label R041 \n RKI( NCELL, 126) = RKI( NCELL, 54 ) \n! Reaction Label R042 \n RKI( NCELL, 127) = RKI( NCELL, 55 ) \n! Reaction Label R043 \n RKI( NCELL, 128) = RKI( NCELL, 56 ) \n! Reaction Label R044 \n RKI( NCELL, 129) = RKI( NCELL, 56 ) \n! Reaction Label R045 \n RKI( NCELL, 130) = RKI( NCELL, 70 ) \n! Reaction Label R046 \n RKI( NCELL, 131) = RKI( NCELL, 70 ) \n! Reaction Label R047 \n RKI( NCELL, 132) = RKI( NCELL, 70 ) \n! Reaction Label R048 \n RKI( NCELL, 133) = RKI( NCELL, 70 ) \n! Reaction Label R049 \n RKI( NCELL, 134) = RKI( NCELL, 52 ) \n! Reaction Label R050 \n RKI( NCELL, 135) = RKI( NCELL, 53 ) \n! Reaction Label R051 \n RKI( NCELL, 136) = RKI( NCELL, 54 ) \n! Reaction Label R052 \n RKI( NCELL, 137) = RKI( NCELL, 55 ) \n! Reaction Label R053 \n RKI( NCELL, 138) = RKI( NCELL, 56 ) \n! Reaction Label R054 \n RKI( NCELL, 139) = RKI( NCELL, 56 ) \n! Reaction Label R055 \n RKI( NCELL, 140) = RKI( NCELL, 70 ) \n! Reaction Label R056 \n RKI( NCELL, 141) = RKI( NCELL, 70 ) \n! Reaction Label R057 \n RKI( NCELL, 142) = RKI( NCELL, 70 ) \n! Reaction Label R058 \n RKI( NCELL, 143) = RKI( NCELL, 70 ) \n! Reaction Label R059 \n RKI( NCELL, 144) = RKI( NCELL, 52 ) \n! Reaction Label R060 \n RKI( NCELL, 145) = RKI( NCELL, 53 ) \n! Reaction Label R061 \n RKI( NCELL, 146) = RKI( NCELL, 54 ) \n! Reaction Label R062 \n RKI( NCELL, 147) = RKI( NCELL, 55 ) \n! Reaction Label R063 \n RKI( NCELL, 148) = RKI( NCELL, 56 ) \n! Reaction Label R064 \n RKI( NCELL, 149) = RKI( NCELL, 56 ) \n! Reaction Label R065 \n RKI( NCELL, 150) = RKI( NCELL, 70 ) \n! Reaction Label R066 \n RKI( NCELL, 151) = RKI( NCELL, 70 ) \n! Reaction Label R067 \n RKI( NCELL, 152) = RKI( NCELL, 70 ) \n! Reaction Label R068 \n RKI( NCELL, 153) = RKI( NCELL, 70 ) \n! Reaction Label R069 \n RKI( NCELL, 154) = RKI( NCELL, 52 ) \n! Reaction Label R070 \n RKI( NCELL, 155) = RKI( NCELL, 53 ) \n! Reaction Label R071 \n RKI( NCELL, 156) = RKI( NCELL, 54 ) \n! Reaction Label R072 \n RKI( NCELL, 157) = RKI( NCELL, 55 ) \n! Reaction Label R073 \n RKI( NCELL, 158) = RKI( NCELL, 56 ) \n! Reaction Label R074 \n RKI( NCELL, 159) = RKI( NCELL, 56 ) \n! Reaction Label R075 \n RKI( NCELL, 160) = RKI( NCELL, 70 ) \n! Reaction Label R076 \n RKI( NCELL, 161) = RKI( NCELL, 70 ) \n! Reaction Label R077 \n RKI( NCELL, 162) = RKI( NCELL, 70 ) \n! Reaction Label R078 \n RKI( NCELL, 163) = RKI( NCELL, 70 ) \n! Reaction Label R079 \n RKI( NCELL, 164) = RKI( NCELL, 52 ) \n! Reaction Label R080 \n RKI( NCELL, 165) = RKI( NCELL, 53 ) \n! Reaction Label R081 \n RKI( NCELL, 166) = RKI( NCELL, 54 ) \n! Reaction Label R082 \n RKI( NCELL, 167) = RKI( NCELL, 55 ) \n! Reaction Label R083 \n RKI( NCELL, 168) = RKI( NCELL, 56 ) \n! Reaction Label R084 \n RKI( NCELL, 169) = RKI( NCELL, 56 ) \n! Reaction Label R085 \n RKI( NCELL, 170) = RKI( NCELL, 70 ) \n! Reaction Label R086 \n RKI( NCELL, 171) = RKI( NCELL, 70 ) \n! Reaction Label R087 \n RKI( NCELL, 172) = RKI( NCELL, 70 ) \n! Reaction Label R088 \n RKI( NCELL, 173) = RKI( NCELL, 70 ) \n! Reaction Label R089 \n RKI( NCELL, 174) = RKI( NCELL, 52 ) \n! Reaction Label R090 \n RKI( NCELL, 175) = RKI( NCELL, 53 ) \n! Reaction Label R091 \n RKI( NCELL, 176) = RKI( NCELL, 54 ) \n! Reaction Label R092 \n RKI( NCELL, 177) = RKI( NCELL, 55 ) \n! Reaction Label R093 \n RKI( NCELL, 178) = RKI( NCELL, 56 ) \n! Reaction Label R094 \n RKI( NCELL, 179) = RKI( NCELL, 56 ) \n! Reaction Label R095 \n RKI( NCELL, 180) = RKI( NCELL, 70 ) \n! Reaction Label R096 \n RKI( NCELL, 181) = RKI( NCELL, 70 ) \n! Reaction Label R097 \n RKI( NCELL, 182) = RKI( NCELL, 70 ) \n! Reaction Label R098 \n RKI( NCELL, 183) = RKI( NCELL, 70 ) \n! Reaction Label R099 \n RKI( NCELL, 184) = RKI( NCELL, 52 ) \n! Reaction Label R100 \n RKI( NCELL, 185) = RKI( NCELL, 53 ) \n! Reaction Label R101 \n RKI( NCELL, 186) = RKI( NCELL, 54 ) \n! Reaction Label R102 \n RKI( NCELL, 187) = RKI( NCELL, 55 ) \n! Reaction Label R103 \n RKI( NCELL, 188) = RKI( NCELL, 56 ) \n! Reaction Label R104 \n RKI( NCELL, 189) = RKI( NCELL, 56 ) \n! Reaction Label R105 \n RKI( NCELL, 190) = RKI( NCELL, 70 ) \n! Reaction Label R106 \n RKI( NCELL, 191) = RKI( NCELL, 70 ) \n! Reaction Label R107 \n RKI( NCELL, 192) = RKI( NCELL, 70 ) \n! Reaction Label R108 \n RKI( NCELL, 193) = RKI( NCELL, 70 ) \n! Reaction Label BP03 \n RKI( NCELL, 196) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.4000D-12, 1.3500D+02 )\n! Reaction Label BP07 \n RKI( NCELL, 197) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.0000D-12, -2.4310D+03 )\n! Reaction Label BP08 \n RKI( NCELL, 198) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.4000D-12, 3.6500D+02 )\n! Reaction Label BP10 \n RKI( NCELL, 200) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.4000D-12, -1.8600D+03 )\n! Reaction Label BP11 \n RKI( NCELL, 201) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.1000D-12, 4.0500D+02 )\n! Reaction Label BP13 \n RKI( NCELL, 203) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.4000D-12, -1.6010D+03 )\n! Reaction Label BP14 \n RKI( NCELL, 204) = CFACT * ARRHENUIS_T04( INV_TEMP, TEMPOT300, & \n & 4.5600D-14, 4.2900D+02, 3.6500D+00 )\n! Reaction Label BP16 \n RKI( NCELL, 206) = CFACT * ARRHENUIS_T04( INV_TEMP, TEMPOT300, & \n & 1.3000D-12, -2.5000D+01, 2.0000D+00 )\n! Reaction Label BP18 \n RKI( NCELL, 208) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.8500D-12, -3.4500D+02 )\n! Reaction Label BP19 \n RKI( NCELL, 209) = 4.5000D-13 * CFACT \n! Reaction Label BP20 \n RKI( NCELL, 210) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.2000D-14, 8.5500D+02 )\n! Reaction Label BP21 \n RKI( NCELL, 211) = 1.2000D-12 * CFACT \n! Reaction Label BP22 \n RKI( NCELL, 212) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.8000D-12, 2.0000D+02 )\n! Reaction Label BP24 \n RKI( NCELL, 214) = 2.5000D-11 * CFACT \n! Reaction Label BP26 \n RKI( NCELL, 216) = 5.6000D-11 * CFACT \n! Reaction Label BP28 \n RKI( NCELL, 218) = 1.4100D-10 * CFACT \n! Reaction Label BP32 \n RKI( NCELL, 222) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.1000D-12, 3.4220D+02 )\n! Reaction Label BP33 \n RKI( NCELL, 223) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.8000D-12, -2.3900D+03 )\n! Reaction Label BP35 \n RKI( NCELL, 225) = 1.5000D-11 * CFACT \n! Reaction Label BP36 \n RKI( NCELL, 226) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.4000D-12, -1.8950D+03 )\n! Reaction Label BP38 \n RKI( NCELL, 228) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.7000D-12, 9.5000D+02 )\n! Reaction Label BP39 \n RKI( NCELL, 229) = 1.4000D-11 * CFACT \n! Reaction Label BP40 \n RKI( NCELL, 230) = 3.5000D-12 * CFACT \n! Reaction Label BP43 \n RKI( NCELL, 233) = 1.2000D-11 * CFACT \n! Reaction Label BP45 \n RKI( NCELL, 235) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.3400D-12, -1.8600D+03 )\n! Reaction Label BP46 \n RKI( NCELL, 236) = 7.4000D-11 * CFACT \n! Reaction Label BP47 \n RKI( NCELL, 237) = 9.6600D-18 * CFACT \n! Reaction Label BP49 \n RKI( NCELL, 239) = 7.4000D-11 * CFACT \n! Reaction Label BP50 \n RKI( NCELL, 240) = 9.6600D-18 * CFACT \n! Reaction Label BP52 \n RKI( NCELL, 242) = 9.3500D-11 * CFACT \n! Reaction Label BP53 \n RKI( NCELL, 243) = 1.4300D-17 * CFACT \n! Reaction Label BP55 \n RKI( NCELL, 244) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.4000D-15, -2.1000D+03 )\n! Reaction Label BP57 \n RKI( NCELL, 245) = 6.3400D-12 * CFACT \n! Reaction Label BP60 \n RKI( NCELL, 246) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.5000D-16, -1.5200D+03 )\n! Reaction Label BP62 \n RKI( NCELL, 247) = 4.3200D-12 * CFACT \n! Reaction Label BP64 \n RKI( NCELL, 249) = 6.1900D-11 * CFACT \n! Reaction Label BP65 \n RKI( NCELL, 250) = 4.1800D-18 * CFACT \n! Reaction Label BP66 \n RKI( NCELL, 251) = 1.0000D-13 * CFACT \n! Reaction Label BP68 \n RKI( NCELL, 253) = 1.5500D-11 * CFACT \n! Reaction Label BP70 \n RKI( NCELL, 255) = 7.2000D-12 * CFACT \n! Reaction Label BP74 \n RKI( NCELL, 258) = RKI( NCELL, 200 ) \n! Reaction Label BP75 \n RKI( NCELL, 259) = 1.9900D-11 * CFACT \n! Reaction Label BP76 \n RKI( NCELL, 260) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.4000D-15, -2.5280D+03 )\n! Reaction Label BP77 \n RKI( NCELL, 261) = 1.1800D-15 * CFACT \n! Reaction Label BP78 \n RKI( NCELL, 262) = 2.3700D-12 * CFACT \n! Reaction Label BP80 \n RKI( NCELL, 264) = 5.2800D-12 * CFACT \n! Reaction Label BP82 \n RKI( NCELL, 266) = 6.4200D-12 * CFACT \n! Reaction Label BP84 \n RKI( NCELL, 268) = RKI( NCELL, 76 ) \n! Reaction Label BP85 \n RKI( NCELL, 269) = RKI( NCELL, 73 ) \n! Reaction Label BP86 \n RKI( NCELL, 270) = RKI( NCELL, 67 ) \n! Reaction Label P001 \n RKI( NCELL, 271) = RKI( NCELL, 52 ) \n! Reaction Label P002 \n RKI( NCELL, 272) = RKI( NCELL, 53 ) \n! Reaction Label P003 \n RKI( NCELL, 273) = RKI( NCELL, 54 ) \n! Reaction Label P004 \n RKI( NCELL, 274) = RKI( NCELL, 55 ) \n! Reaction Label P005 \n RKI( NCELL, 275) = RKI( NCELL, 56 ) \n! Reaction Label P006 \n RKI( NCELL, 276) = RKI( NCELL, 56 ) \n! Reaction Label P007 \n RKI( NCELL, 277) = RKI( NCELL, 70 ) \n! Reaction Label P008 \n RKI( NCELL, 278) = RKI( NCELL, 70 ) \n! Reaction Label P009 \n RKI( NCELL, 279) = RKI( NCELL, 70 ) \n! Reaction Label P010 \n RKI( NCELL, 280) = RKI( NCELL, 70 ) \n! Reaction Label P011 \n RKI( NCELL, 281) = RKI( NCELL, 52 ) \n! Reaction Label P012 \n RKI( NCELL, 282) = RKI( NCELL, 53 ) \n! Reaction Label P013 \n RKI( NCELL, 283) = RKI( NCELL, 54 ) \n! Reaction Label P014 \n RKI( NCELL, 284) = RKI( NCELL, 55 ) \n! Reaction Label P015 \n RKI( NCELL, 285) = RKI( NCELL, 56 ) \n! Reaction Label P016 \n RKI( NCELL, 286) = RKI( NCELL, 56 ) \n! Reaction Label P017 \n RKI( NCELL, 287) = RKI( NCELL, 70 ) \n! Reaction Label P018 \n RKI( NCELL, 288) = RKI( NCELL, 70 ) \n! Reaction Label P019 \n RKI( NCELL, 289) = RKI( NCELL, 70 ) \n! Reaction Label P020 \n RKI( NCELL, 290) = RKI( NCELL, 70 ) \n! Reaction Label P021 \n RKI( NCELL, 291) = RKI( NCELL, 52 ) \n! Reaction Label P022 \n RKI( NCELL, 292) = RKI( NCELL, 53 ) \n! Reaction Label P023 \n RKI( NCELL, 293) = RKI( NCELL, 54 ) \n! Reaction Label P024 \n RKI( NCELL, 294) = RKI( NCELL, 55 ) \n! Reaction Label P025 \n RKI( NCELL, 295) = RKI( NCELL, 56 ) \n! Reaction Label P026 \n RKI( NCELL, 296) = RKI( NCELL, 56 ) \n! Reaction Label P027 \n RKI( NCELL, 297) = RKI( NCELL, 70 ) \n! Reaction Label P028 \n RKI( NCELL, 298) = RKI( NCELL, 70 ) \n! Reaction Label P029 \n RKI( NCELL, 299) = RKI( NCELL, 70 ) \n! Reaction Label P030 \n RKI( NCELL, 300) = RKI( NCELL, 70 ) \n! Reaction Label P031 \n RKI( NCELL, 301) = RKI( NCELL, 52 ) \n! Reaction Label P032 \n RKI( NCELL, 302) = RKI( NCELL, 53 ) \n! Reaction Label P033 \n RKI( NCELL, 303) = RKI( NCELL, 54 ) \n! Reaction Label P034 \n RKI( NCELL, 304) = RKI( NCELL, 55 ) \n! Reaction Label P035 \n RKI( NCELL, 305) = RKI( NCELL, 56 ) \n! Reaction Label P036 \n RKI( NCELL, 306) = RKI( NCELL, 56 ) \n! Reaction Label P037 \n RKI( NCELL, 307) = RKI( NCELL, 70 ) \n! Reaction Label P038 \n RKI( NCELL, 308) = RKI( NCELL, 70 ) \n! Reaction Label P039 \n RKI( NCELL, 309) = RKI( NCELL, 70 ) \n! Reaction Label P040 \n RKI( NCELL, 310) = RKI( NCELL, 70 ) \n! Reaction Label P041 \n RKI( NCELL, 311) = RKI( NCELL, 52 ) \n! Reaction Label P042 \n RKI( NCELL, 312) = RKI( NCELL, 53 ) \n! Reaction Label P043 \n RKI( NCELL, 313) = RKI( NCELL, 54 ) \n! Reaction Label P044 \n RKI( NCELL, 314) = RKI( NCELL, 55 ) \n! Reaction Label P045 \n RKI( NCELL, 315) = RKI( NCELL, 56 ) \n! Reaction Label P046 \n RKI( NCELL, 316) = RKI( NCELL, 56 ) \n! Reaction Label P047 \n RKI( NCELL, 317) = RKI( NCELL, 70 ) \n! Reaction Label P048 \n RKI( NCELL, 318) = RKI( NCELL, 70 ) \n! Reaction Label P049 \n RKI( NCELL, 319) = RKI( NCELL, 70 ) \n! Reaction Label P050 \n RKI( NCELL, 320) = RKI( NCELL, 70 ) \n! Reaction Label P051 \n RKI( NCELL, 321) = RKI( NCELL, 52 ) \n! Reaction Label P052 \n RKI( NCELL, 322) = RKI( NCELL, 53 ) \n! Reaction Label P053 \n RKI( NCELL, 323) = RKI( NCELL, 54 ) \n! Reaction Label P054 \n RKI( NCELL, 324) = RKI( NCELL, 55 ) \n! Reaction Label P055 \n RKI( NCELL, 325) = RKI( NCELL, 56 ) \n! Reaction Label P056 \n RKI( NCELL, 326) = RKI( NCELL, 56 ) \n! Reaction Label P057 \n RKI( NCELL, 327) = RKI( NCELL, 70 ) \n! Reaction Label P058 \n RKI( NCELL, 328) = RKI( NCELL, 70 ) \n! Reaction Label P059 \n RKI( NCELL, 329) = RKI( NCELL, 70 ) \n! Reaction Label P060 \n RKI( NCELL, 330) = RKI( NCELL, 70 ) \n! Reaction Label P061 \n RKI( NCELL, 331) = RKI( NCELL, 52 ) \n! Reaction Label P062 \n RKI( NCELL, 332) = RKI( NCELL, 53 ) \n! Reaction Label P063 \n RKI( NCELL, 333) = RKI( NCELL, 54 ) \n! Reaction Label P064 \n RKI( NCELL, 334) = RKI( NCELL, 55 ) \n! Reaction Label P065 \n RKI( NCELL, 335) = RKI( NCELL, 56 ) \n! Reaction Label P066 \n RKI( NCELL, 336) = RKI( NCELL, 56 ) \n! Reaction Label P067 \n RKI( NCELL, 337) = RKI( NCELL, 70 ) \n! Reaction Label P068 \n RKI( NCELL, 338) = RKI( NCELL, 70 ) \n! Reaction Label P069 \n RKI( NCELL, 339) = RKI( NCELL, 70 ) \n! Reaction Label P070 \n RKI( NCELL, 340) = RKI( NCELL, 70 ) \n! Reaction Label P071 \n RKI( NCELL, 341) = RKI( NCELL, 52 ) \n! Reaction Label P072 \n RKI( NCELL, 342) = RKI( NCELL, 53 ) \n! Reaction Label P073 \n RKI( NCELL, 343) = RKI( NCELL, 54 ) \n! Reaction Label P074 \n RKI( NCELL, 344) = RKI( NCELL, 55 ) \n! Reaction Label P075 \n RKI( NCELL, 345) = RKI( NCELL, 56 ) \n! Reaction Label P076 \n RKI( NCELL, 346) = RKI( NCELL, 56 ) \n! Reaction Label P077 \n RKI( NCELL, 347) = RKI( NCELL, 70 ) \n! Reaction Label P078 \n RKI( NCELL, 348) = RKI( NCELL, 70 ) \n! Reaction Label P079 \n RKI( NCELL, 349) = RKI( NCELL, 70 ) \n! Reaction Label P080 \n RKI( NCELL, 350) = RKI( NCELL, 70 ) \n! Reaction Label P081 \n RKI( NCELL, 351) = RKI( NCELL, 52 ) \n! Reaction Label P082 \n RKI( NCELL, 352) = RKI( NCELL, 53 ) \n! Reaction Label P083 \n RKI( NCELL, 353) = RKI( NCELL, 54 ) \n! Reaction Label P084 \n RKI( NCELL, 354) = RKI( NCELL, 55 ) \n! Reaction Label P085 \n RKI( NCELL, 355) = RKI( NCELL, 56 ) \n! Reaction Label P086 \n RKI( NCELL, 356) = RKI( NCELL, 56 ) \n! Reaction Label P087 \n RKI( NCELL, 357) = RKI( NCELL, 70 ) \n! Reaction Label P088 \n RKI( NCELL, 358) = RKI( NCELL, 70 ) \n! Reaction Label P089 \n RKI( NCELL, 359) = RKI( NCELL, 70 ) \n! Reaction Label P090 \n RKI( NCELL, 360) = RKI( NCELL, 70 ) \n! Reaction Label P091 \n RKI( NCELL, 361) = RKI( NCELL, 52 ) \n! Reaction Label P092 \n RKI( NCELL, 362) = RKI( NCELL, 53 ) \n! Reaction Label P093 \n RKI( NCELL, 363) = RKI( NCELL, 54 ) \n! Reaction Label P094 \n RKI( NCELL, 364) = RKI( NCELL, 55 ) \n! Reaction Label P095 \n RKI( NCELL, 365) = RKI( NCELL, 56 ) \n! Reaction Label P096 \n RKI( NCELL, 366) = RKI( NCELL, 56 ) \n! Reaction Label P097 \n RKI( NCELL, 367) = RKI( NCELL, 70 ) \n! Reaction Label P098 \n RKI( NCELL, 368) = RKI( NCELL, 70 ) \n! Reaction Label P099 \n RKI( NCELL, 369) = RKI( NCELL, 70 ) \n! Reaction Label P100 \n RKI( NCELL, 370) = RKI( NCELL, 70 ) \n! Reaction Label P101 \n RKI( NCELL, 371) = RKI( NCELL, 52 ) \n! Reaction Label P102 \n RKI( NCELL, 372) = RKI( NCELL, 53 ) \n! Reaction Label P103 \n RKI( NCELL, 373) = RKI( NCELL, 54 ) \n! Reaction Label P104 \n RKI( NCELL, 374) = RKI( NCELL, 55 ) \n! Reaction Label P105 \n RKI( NCELL, 375) = RKI( NCELL, 56 ) \n! Reaction Label P106 \n RKI( NCELL, 376) = RKI( NCELL, 56 ) \n! Reaction Label P107 \n RKI( NCELL, 377) = RKI( NCELL, 70 ) \n! Reaction Label P108 \n RKI( NCELL, 378) = RKI( NCELL, 70 ) \n! Reaction Label P109 \n RKI( NCELL, 379) = RKI( NCELL, 70 ) \n! Reaction Label P110 \n RKI( NCELL, 380) = RKI( NCELL, 70 ) \n! Reaction Label P111 \n RKI( NCELL, 381) = RKI( NCELL, 52 ) \n! Reaction Label P112 \n RKI( NCELL, 382) = RKI( NCELL, 53 ) \n! Reaction Label P113 \n RKI( NCELL, 383) = RKI( NCELL, 54 ) \n! Reaction Label P114 \n RKI( NCELL, 384) = RKI( NCELL, 55 ) \n! Reaction Label P115 \n RKI( NCELL, 385) = RKI( NCELL, 56 ) \n! Reaction Label P116 \n RKI( NCELL, 386) = RKI( NCELL, 56 ) \n! Reaction Label P117 \n RKI( NCELL, 387) = RKI( NCELL, 70 ) \n! Reaction Label P118 \n RKI( NCELL, 388) = RKI( NCELL, 70 ) \n! Reaction Label P119 \n RKI( NCELL, 389) = RKI( NCELL, 70 ) \n! Reaction Label P120 \n RKI( NCELL, 390) = RKI( NCELL, 70 ) \n! Reaction Label P121 \n RKI( NCELL, 391) = RKI( NCELL, 52 ) \n! Reaction Label P122 \n RKI( NCELL, 392) = RKI( NCELL, 53 ) \n! Reaction Label P123 \n RKI( NCELL, 393) = RKI( NCELL, 54 ) \n! Reaction Label P124 \n RKI( NCELL, 394) = RKI( NCELL, 55 ) \n! Reaction Label P125 \n RKI( NCELL, 395) = RKI( NCELL, 56 ) \n! Reaction Label P126 \n RKI( NCELL, 396) = RKI( NCELL, 56 ) \n! Reaction Label P127 \n RKI( NCELL, 397) = RKI( NCELL, 70 ) \n! Reaction Label P128 \n RKI( NCELL, 398) = RKI( NCELL, 70 ) \n! Reaction Label P129 \n RKI( NCELL, 399) = RKI( NCELL, 70 ) \n! Reaction Label P130 \n RKI( NCELL, 400) = RKI( NCELL, 70 ) \n! Reaction Label P131 \n RKI( NCELL, 401) = RKI( NCELL, 52 ) \n! Reaction Label P132 \n RKI( NCELL, 402) = RKI( NCELL, 53 ) \n! Reaction Label P133 \n RKI( NCELL, 403) = RKI( NCELL, 54 ) \n! Reaction Label P134 \n RKI( NCELL, 404) = RKI( NCELL, 55 ) \n! Reaction Label P135 \n RKI( NCELL, 405) = RKI( NCELL, 56 ) \n! Reaction Label P136 \n RKI( NCELL, 406) = RKI( NCELL, 56 ) \n! Reaction Label P137 \n RKI( NCELL, 407) = RKI( NCELL, 70 ) \n! Reaction Label P138 \n RKI( NCELL, 408) = RKI( NCELL, 70 ) \n! Reaction Label P139 \n RKI( NCELL, 409) = RKI( NCELL, 70 ) \n! Reaction Label P140 \n RKI( NCELL, 410) = RKI( NCELL, 70 ) \n! Reaction Label P141 \n RKI( NCELL, 411) = RKI( NCELL, 52 ) \n! Reaction Label P142 \n RKI( NCELL, 412) = RKI( NCELL, 53 ) \n! Reaction Label P143 \n RKI( NCELL, 413) = RKI( NCELL, 54 ) \n! Reaction Label P144 \n RKI( NCELL, 414) = RKI( NCELL, 55 ) \n! Reaction Label P145 \n RKI( NCELL, 415) = RKI( NCELL, 56 ) \n! Reaction Label P146 \n RKI( NCELL, 416) = RKI( NCELL, 56 ) \n! Reaction Label P147 \n RKI( NCELL, 417) = RKI( NCELL, 70 ) \n! Reaction Label P148 \n RKI( NCELL, 418) = RKI( NCELL, 70 ) \n! Reaction Label P149 \n RKI( NCELL, 419) = RKI( NCELL, 70 ) \n! Reaction Label P150 \n RKI( NCELL, 420) = RKI( NCELL, 70 ) \n! Reaction Label P151 \n RKI( NCELL, 421) = RKI( NCELL, 52 ) \n! Reaction Label P152 \n RKI( NCELL, 422) = RKI( NCELL, 53 ) \n! Reaction Label P153 \n RKI( NCELL, 423) = RKI( NCELL, 54 ) \n! Reaction Label P154 \n RKI( NCELL, 424) = RKI( NCELL, 55 ) \n! Reaction Label P155 \n RKI( NCELL, 425) = RKI( NCELL, 56 ) \n! Reaction Label P156 \n RKI( NCELL, 426) = RKI( NCELL, 56 ) \n! Reaction Label P157 \n RKI( NCELL, 427) = RKI( NCELL, 70 ) \n! Reaction Label P158 \n RKI( NCELL, 428) = RKI( NCELL, 70 ) \n! Reaction Label P159 \n RKI( NCELL, 429) = RKI( NCELL, 70 ) \n! Reaction Label P160 \n RKI( NCELL, 430) = RKI( NCELL, 70 ) \n! Reaction Label P161 \n RKI( NCELL, 431) = RKI( NCELL, 52 ) \n! Reaction Label P162 \n RKI( NCELL, 432) = RKI( NCELL, 53 ) \n! Reaction Label P163 \n RKI( NCELL, 433) = RKI( NCELL, 54 ) \n! Reaction Label P164 \n RKI( NCELL, 434) = RKI( NCELL, 55 ) \n! Reaction Label P165 \n RKI( NCELL, 435) = RKI( NCELL, 56 ) \n! Reaction Label P166 \n RKI( NCELL, 436) = RKI( NCELL, 56 ) \n! Reaction Label P167 \n RKI( NCELL, 437) = RKI( NCELL, 70 ) \n! Reaction Label P168 \n RKI( NCELL, 438) = RKI( NCELL, 70 ) \n! Reaction Label P169 \n RKI( NCELL, 439) = RKI( NCELL, 70 ) \n! Reaction Label P170 \n RKI( NCELL, 440) = RKI( NCELL, 70 ) \n! Reaction Label PX161 \n RKI( NCELL, 441) = RKI( NCELL, 52 ) \n! Reaction Label PX162 \n RKI( NCELL, 442) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.6500D-13, 1.3000D+03 )\n! Reaction Label PX163 \n RKI( NCELL, 443) = RKI( NCELL, 54 ) \n! Reaction Label PX164 \n RKI( NCELL, 444) = RKI( NCELL, 55 ) \n! Reaction Label PX165 \n RKI( NCELL, 445) = RKI( NCELL, 56 ) \n! Reaction Label PX166 \n RKI( NCELL, 446) = RKI( NCELL, 56 ) \n! Reaction Label PX167 \n RKI( NCELL, 447) = RKI( NCELL, 70 ) \n! Reaction Label PX168 \n RKI( NCELL, 448) = RKI( NCELL, 70 ) \n! Reaction Label PX169 \n RKI( NCELL, 449) = RKI( NCELL, 70 ) \n! Reaction Label PX170 \n RKI( NCELL, 450) = RKI( NCELL, 70 ) \n! Reaction Label PX170b \n RKI( NCELL, 451) = RKI( NCELL, 70 ) \n! Reaction Label P171 \n RKI( NCELL, 452) = RKI( NCELL, 52 ) \n! Reaction Label P172 \n RKI( NCELL, 453) = RKI( NCELL, 53 ) \n! Reaction Label P173 \n RKI( NCELL, 454) = RKI( NCELL, 54 ) \n! Reaction Label P174 \n RKI( NCELL, 455) = RKI( NCELL, 55 ) \n! Reaction Label P175 \n RKI( NCELL, 456) = RKI( NCELL, 56 ) \n! Reaction Label P176 \n RKI( NCELL, 457) = RKI( NCELL, 56 ) \n! Reaction Label P177 \n RKI( NCELL, 458) = RKI( NCELL, 70 ) \n! Reaction Label P178 \n RKI( NCELL, 459) = RKI( NCELL, 70 ) \n! Reaction Label P179 \n RKI( NCELL, 460) = RKI( NCELL, 70 ) \n! Reaction Label P180 \n RKI( NCELL, 461) = RKI( NCELL, 70 ) \n! Reaction Label P181 \n RKI( NCELL, 462) = RKI( NCELL, 52 ) \n! Reaction Label P182 \n RKI( NCELL, 463) = RKI( NCELL, 53 ) \n! Reaction Label P183 \n RKI( NCELL, 464) = RKI( NCELL, 54 ) \n! Reaction Label P184 \n RKI( NCELL, 465) = RKI( NCELL, 55 ) \n! Reaction Label P185 \n RKI( NCELL, 466) = RKI( NCELL, 56 ) \n! Reaction Label P186 \n RKI( NCELL, 467) = RKI( NCELL, 56 ) \n! Reaction Label P187 \n RKI( NCELL, 468) = RKI( NCELL, 70 ) \n! Reaction Label P188 \n RKI( NCELL, 469) = RKI( NCELL, 70 ) \n! Reaction Label P189 \n RKI( NCELL, 470) = RKI( NCELL, 70 ) \n! Reaction Label P190 \n RKI( NCELL, 471) = RKI( NCELL, 70 ) \n! Reaction Label P191 \n RKI( NCELL, 472) = RKI( NCELL, 52 ) \n! Reaction Label P192 \n RKI( NCELL, 473) = RKI( NCELL, 53 ) \n! Reaction Label P193 \n RKI( NCELL, 474) = RKI( NCELL, 54 ) \n! Reaction Label P194 \n RKI( NCELL, 475) = RKI( NCELL, 55 ) \n! Reaction Label P195 \n RKI( NCELL, 476) = RKI( NCELL, 56 ) \n! Reaction Label P196 \n RKI( NCELL, 477) = RKI( NCELL, 56 ) \n! Reaction Label P197 \n RKI( NCELL, 478) = RKI( NCELL, 70 ) \n! Reaction Label P198 \n RKI( NCELL, 479) = RKI( NCELL, 70 ) \n! Reaction Label P199 \n RKI( NCELL, 480) = RKI( NCELL, 70 ) \n! Reaction Label P200 \n RKI( NCELL, 481) = RKI( NCELL, 70 ) \n! Reaction Label P201 \n RKI( NCELL, 482) = RKI( NCELL, 52 ) \n! Reaction Label P202 \n RKI( NCELL, 483) = RKI( NCELL, 53 ) \n! Reaction Label P203 \n RKI( NCELL, 484) = RKI( NCELL, 54 ) \n! Reaction Label P204 \n RKI( NCELL, 485) = RKI( NCELL, 55 ) \n! Reaction Label P205 \n RKI( NCELL, 486) = RKI( NCELL, 56 ) \n! Reaction Label P206 \n RKI( NCELL, 487) = RKI( NCELL, 56 ) \n! Reaction Label P207 \n RKI( NCELL, 488) = RKI( NCELL, 70 ) \n! Reaction Label P208 \n RKI( NCELL, 489) = RKI( NCELL, 70 ) \n! Reaction Label P209 \n RKI( NCELL, 490) = RKI( NCELL, 70 ) \n! Reaction Label P210 \n RKI( NCELL, 491) = RKI( NCELL, 70 ) \n! Reaction Label PZ201 \n RKI( NCELL, 492) = RKI( NCELL, 52 ) \n! Reaction Label PZ202 \n RKI( NCELL, 493) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.6500D-13, 1.3000D+03 )\n! Reaction Label PZ203 \n RKI( NCELL, 494) = RKI( NCELL, 54 ) \n! Reaction Label PZ204 \n RKI( NCELL, 495) = RKI( NCELL, 55 ) \n! Reaction Label PZ205 \n RKI( NCELL, 496) = RKI( NCELL, 56 ) \n! Reaction Label PZ206 \n RKI( NCELL, 497) = RKI( NCELL, 56 ) \n! Reaction Label PZ207 \n RKI( NCELL, 498) = RKI( NCELL, 70 ) \n! Reaction Label PZ208 \n RKI( NCELL, 499) = RKI( NCELL, 70 ) \n! Reaction Label PZ209 \n RKI( NCELL, 500) = RKI( NCELL, 70 ) \n! Reaction Label PZ210 \n RKI( NCELL, 501) = RKI( NCELL, 70 ) \n! Reaction Label PZ210b \n RKI( NCELL, 502) = RKI( NCELL, 70 ) \n! Reaction Label P211 \n RKI( NCELL, 503) = RKI( NCELL, 52 ) \n! Reaction Label P212 \n RKI( NCELL, 504) = RKI( NCELL, 53 ) \n! Reaction Label P213 \n RKI( NCELL, 505) = RKI( NCELL, 54 ) \n! Reaction Label P214 \n RKI( NCELL, 506) = RKI( NCELL, 55 ) \n! Reaction Label P215 \n RKI( NCELL, 507) = RKI( NCELL, 56 ) \n! Reaction Label P216 \n RKI( NCELL, 508) = RKI( NCELL, 56 ) \n! Reaction Label P217 \n RKI( NCELL, 509) = RKI( NCELL, 70 ) \n! Reaction Label P218 \n RKI( NCELL, 510) = RKI( NCELL, 70 ) \n! Reaction Label P219 \n RKI( NCELL, 511) = RKI( NCELL, 70 ) \n! Reaction Label P220 \n RKI( NCELL, 512) = RKI( NCELL, 70 ) \n! Reaction Label P221 \n RKI( NCELL, 513) = RKI( NCELL, 52 ) \n! Reaction Label P222 \n RKI( NCELL, 514) = RKI( NCELL, 53 ) \n! Reaction Label P223 \n RKI( NCELL, 515) = RKI( NCELL, 54 ) \n! Reaction Label P224 \n RKI( NCELL, 516) = RKI( NCELL, 55 ) \n! Reaction Label P225 \n RKI( NCELL, 517) = RKI( NCELL, 56 ) \n! Reaction Label P226 \n RKI( NCELL, 518) = RKI( NCELL, 56 ) \n! Reaction Label P227 \n RKI( NCELL, 519) = RKI( NCELL, 70 ) \n! Reaction Label P228 \n RKI( NCELL, 520) = RKI( NCELL, 70 ) \n! Reaction Label P229 \n RKI( NCELL, 521) = RKI( NCELL, 70 ) \n! Reaction Label P230 \n RKI( NCELL, 522) = RKI( NCELL, 70 ) \n! Reaction Label BE01 \n RKI( NCELL, 523) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.8500D-12, -1.6900D+03 )\n! Reaction Label BE02 \n RKI( NCELL, 524) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 1.0000D-28, 0.0000D+00, -4.5000D+00, & \n & 8.8000D-12, 0.0000D+00, -8.5000D-01, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label BE03 \n RKI( NCELL, 525) = CFACT * ARRHENUIS_T03( INV_TEMP, 9.1400D-15, -2.5800D+03 )\n! Reaction Label BE04 \n RKI( NCELL, 526) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.3000D-12, -2.8800D+03 )\n! Reaction Label BE05 \n RKI( NCELL, 527) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.0700D-11, -8.0000D+02 )\n! Reaction Label BT01 \n RKI( NCELL, 528) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.8500D-12, 5.0400D+02 )\n! Reaction Label BT02 \n RKI( NCELL, 529) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.5100D-15, -1.8780D+03 )\n! Reaction Label BT03 \n RKI( NCELL, 530) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.5900D-13, -1.1560D+03 )\n! Reaction Label BT04 \n RKI( NCELL, 531) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.0200D-11, -2.8000D+02 )\n! Reaction Label BT05 \n RKI( NCELL, 532) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.4800D-11, 4.4800D+02 )\n! Reaction Label BT06 \n RKI( NCELL, 533) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.3400D-14, -2.2830D+03 )\n! Reaction Label BT07 \n RKI( NCELL, 534) = 1.0000D-13 * CFACT \n! Reaction Label BT08 \n RKI( NCELL, 535) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.2600D-11, -4.0000D+01 )\n! Reaction Label BE07 \n RKI( NCELL, 536) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.8600D-15, -1.9120D+03 )\n! Reaction Label BE09 \n RKI( NCELL, 537) = 3.5000D-11 * CFACT \n! Reaction Label BT09 \n RKI( NCELL, 538) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.2100D-11, 4.3600D+02 )\n! Reaction Label BT10 \n RKI( NCELL, 539) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.0000D-16, -5.3000D+02 )\n! Reaction Label BT11 \n RKI( NCELL, 540) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.1900D-12, 4.9000D+02 )\n! Reaction Label BT12 \n RKI( NCELL, 541) = 3.2000D-11 * CFACT \n! Reaction Label BE10 \n RKI( NCELL, 542) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 5.5000D-30, 0.0000D+00, 0.0000D+00, & \n & 8.3000D-13, 0.0000D+00, -2.0000D+00, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label BE11 \n RKI( NCELL, 543) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.0000D-14, -4.1000D+03 )\n! Reaction Label BE12 \n RKI( NCELL, 544) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.3300D-12, -1.9300D+02 )\n! Reaction Label BT13 \n RKI( NCELL, 545) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.8100D-12, 3.3800D+02 )\n! Reaction Label BT14 \n RKI( NCELL, 546) = 2.3100D-11 * CFACT \n! Reaction Label BT15 \n RKI( NCELL, 547) = 1.3600D-11 * CFACT \n! Reaction Label BT16 \n RKI( NCELL, 548) = 1.4300D-11 * CFACT \n! Reaction Label BT17 \n RKI( NCELL, 549) = 3.2500D-11 * CFACT \n! Reaction Label BT18 \n RKI( NCELL, 550) = CFACT * ARRHENUIS_T04( INV_TEMP, TEMPOT300, & \n & 5.4900D-13, 5.3000D+02, 2.0000D+00 )\n! Reaction Label BL01 \n RKI( NCELL, 551) = CFACT * ARRHENUIS_T04( INV_TEMP, TEMPOT300, & \n & 1.3400D-12, -4.9900D+02, 2.0000D+00 )\n! Reaction Label BL02 \n RKI( NCELL, 552) = CFACT * ARRHENUIS_T04( INV_TEMP, TEMPOT300, & \n & 1.4900D-12, -8.7000D+01, 2.0000D+00 )\n! Reaction Label BL03 \n RKI( NCELL, 553) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.5100D-12, 1.2600D+02 )\n! Reaction Label BL04 \n RKI( NCELL, 554) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.7500D-12, 4.4000D+01 )\n! Reaction Label BL05 \n RKI( NCELL, 555) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.7400D+02 )\n! Reaction Label AALK \n RKI( NCELL, 556) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.7000D-12, 3.7400D+02 )\n! Reaction Label BL06 \n RKI( NCELL, 557) = CFACT * ARRHENUIS_T03( INV_TEMP, 6.7200D-12, 5.0100D+02 )\n! Reaction Label BL07 \n RKI( NCELL, 558) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.1900D-15, -1.7010D+03 )\n! Reaction Label BL08 \n RKI( NCELL, 559) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.3700D-13, -1.0470D+03 )\n! Reaction Label BL09 \n RKI( NCELL, 560) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.6100D-11, -3.2600D+02 )\n! Reaction Label BL10 \n RKI( NCELL, 561) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.2600D-11, 4.8800D+02 )\n! Reaction Label BL11 \n RKI( NCELL, 562) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.5900D-15, -1.2550D+03 )\n! Reaction Label BL12 \n RKI( NCELL, 563) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.3100D-13, 3.8200D+02 )\n! Reaction Label BL13 \n RKI( NCELL, 564) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.4300D-11, 1.1100D+02 )\n! Reaction Label BL14 \n RKI( NCELL, 565) = 7.8400D-12 * CFACT \n! Reaction Label BL15a \n RKI( NCELL, 566) = 3.0900D-11 * CFACT \n! Reaction Label BL15b \n RKI( NCELL, 567) = 3.0900D-11 * CFACT \n! Reaction Label BL16 \n RKI( NCELL, 568) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.2700D-11, 4.3500D+02 )\n! Reaction Label BL17 \n RKI( NCELL, 569) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.2800D-16, -7.8500D+02 )\n! Reaction Label BL18 \n RKI( NCELL, 570) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.3300D-12, 4.9000D+02 )\n! Reaction Label BL18a \n RKI( NCELL, 571) = RKI( NCELL, 52 ) \n! Reaction Label BL18b \n RKI( NCELL, 572) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.6500D-13, 1.3000D+03 )\n! Reaction Label BL18c \n RKI( NCELL, 573) = RKI( NCELL, 54 ) \n! Reaction Label BL18d \n RKI( NCELL, 574) = RKI( NCELL, 55 ) \n! Reaction Label BL18e \n RKI( NCELL, 575) = RKI( NCELL, 56 ) \n! Reaction Label BL18f \n RKI( NCELL, 576) = RKI( NCELL, 56 ) \n! Reaction Label BL18g \n RKI( NCELL, 577) = RKI( NCELL, 70 ) \n! Reaction Label BL18h \n RKI( NCELL, 578) = RKI( NCELL, 70 ) \n! Reaction Label BL18i \n RKI( NCELL, 579) = RKI( NCELL, 70 ) \n! Reaction Label BL19j \n RKI( NCELL, 580) = RKI( NCELL, 70 ) \n! Reaction Label BL19k \n RKI( NCELL, 581) = RKI( NCELL, 70 ) \n! Reaction Label BL19 \n RKI( NCELL, 582) = 4.0200D-11 * CFACT \n! Reaction Label BT19 \n RKI( NCELL, 583) = RKI( NCELL, 568 ) \n! Reaction Label BT20 \n RKI( NCELL, 584) = RKI( NCELL, 569 ) \n! Reaction Label BT21 \n RKI( NCELL, 585) = RKI( NCELL, 570 ) \n! Reaction Label BT22 \n RKI( NCELL, 586) = RKI( NCELL, 582 ) \n! Reaction Label CI02 \n RKI( NCELL, 588) = CFACT_SQU * POWER_T02( TEMPOT300, 7.6000D-32, -1.8000D+00 )\n! Reaction Label CI04 \n RKI( NCELL, 590) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 1.3000D-30, 0.0000D+00, -2.0000D+00, & \n & 1.0000D-10, 0.0000D+00, -1.0000D+00, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label CI05 \n RKI( NCELL, 591) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 1.8000D-31, 0.0000D+00, -2.0000D+00, & \n & 1.0000D-10, 0.0000D+00, -1.0000D+00, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label CI08 \n RKI( NCELL, 594) = CFACT * POWER_T02( TEMPOT300, 3.4400D-11, -5.6000D-01 )\n! Reaction Label CI09 \n RKI( NCELL, 595) = CFACT * POWER_T02( TEMPOT300, 9.4100D-12, 2.1000D+00 )\n! Reaction Label CI10 \n RKI( NCELL, 596) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.8000D-11, -2.5000D+02 )\n! Reaction Label CI11 \n RKI( NCELL, 597) = 2.4000D-11 * CFACT \n! Reaction Label CI12 \n RKI( NCELL, 598) = CFACT * ARRHENUIS_T03( INV_TEMP, 6.2000D-12, 2.9500D+02 )\n! Reaction Label CI13 \n RKI( NCELL, 599) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 1.8000D-31, 0.0000D+00, -3.4000D+00, & \n & 1.5000D-11, 0.0000D+00, -1.9000D+00, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label CI16 \n RKI( NCELL, 602) = SFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 4.4800D-05, -1.2530D+04, -1.0000D+00, & \n & 3.7100D+15, -1.2530D+04, 3.5000D+00, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label CI17 \n RKI( NCELL, 603) = CFACT * ARRHENUIS_T03( INV_TEMP, 6.2000D-12, 1.4500D+02 )\n! Reaction Label CI18 \n RKI( NCELL, 604) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.2000D-12, 3.4000D+02 )\n! Reaction Label CI20 \n RKI( NCELL, 606) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.2500D-11, -1.9600D+03 )\n! Reaction Label CI21 \n RKI( NCELL, 607) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.7000D-12, -2.3000D+02 )\n! Reaction Label CI22 \n RKI( NCELL, 608) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.9000D-11, -2.3100D+03 )\n! Reaction Label CP01 \n RKI( NCELL, 609) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.1000D-11, -3.0000D+01 )\n! Reaction Label CP02 \n RKI( NCELL, 610) = 8.0000D-11 * CFACT \n! Reaction Label CP03 \n RKI( NCELL, 611) = 5.5000D-11 * CFACT \n! Reaction Label CP04 \n RKI( NCELL, 612) = 1.2300D-10 * CFACT \n! Reaction Label CP05 \n RKI( NCELL, 613) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.7000D-11, -1.0000D+03 )\n! Reaction Label CP06 \n RKI( NCELL, 614) = 3.6000D-11 * CFACT \n! Reaction Label CP07 \n RKI( NCELL, 615) = 1.9200D-10 * CFACT \n! Reaction Label CP08 \n RKI( NCELL, 616) = 2.0000D-10 * CFACT \n! Reaction Label CP09 \n RKI( NCELL, 617) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.1000D-11, -3.0000D+01 )\n! Reaction Label CP10 \n RKI( NCELL, 618) = 8.0000D-11 * CFACT \n! Reaction Label CP11 \n RKI( NCELL, 619) = 6.2000D-11 * CFACT \n! Reaction Label CP12 \n RKI( NCELL, 620) = 8.0000D-11 * CFACT \n! Reaction Label CP13 \n RKI( NCELL, 621) = 1.6600D-10 * CFACT \n! Reaction Label CP14 \n RKI( NCELL, 622) = 3.0000D-10 * CFACT \n! Reaction Label CP15 \n RKI( NCELL, 623) = 4.2900D-10 * CFACT \n! Reaction Label TP01 \n RKI( NCELL, 624) = 2.9400D-10 * CFACT \n! Reaction Label CP17 \n RKI( NCELL, 625) = 2.3200D-10 * CFACT \n! Reaction Label CP18 \n RKI( NCELL, 626) = 4.1200D-10 * CFACT \n! Reaction Label CP20 \n RKI( NCELL, 628) = 3.1000D-12 * CFACT \n! Reaction Label CP21 \n RKI( NCELL, 629) = 1.2900D-11 * CFACT \n! Reaction Label CP29 \n RKI( NCELL, 631) = RKI( NCELL, 52 ) \n! Reaction Label CP30 \n RKI( NCELL, 632) = RKI( NCELL, 53 ) \n! Reaction Label CP31 \n RKI( NCELL, 633) = RKI( NCELL, 54 ) \n! Reaction Label CP32 \n RKI( NCELL, 634) = RKI( NCELL, 55 ) \n! Reaction Label CP33 \n RKI( NCELL, 635) = RKI( NCELL, 56 ) \n! Reaction Label CP34 \n RKI( NCELL, 636) = RKI( NCELL, 56 ) \n! Reaction Label CP35 \n RKI( NCELL, 637) = RKI( NCELL, 70 ) \n! Reaction Label CP36 \n RKI( NCELL, 638) = RKI( NCELL, 70 ) \n! Reaction Label CP37 \n RKI( NCELL, 639) = RKI( NCELL, 70 ) \n! Reaction Label CP38 \n RKI( NCELL, 640) = RKI( NCELL, 70 ) \n! Reaction Label CP39 \n RKI( NCELL, 641) = RKI( NCELL, 52 ) \n! Reaction Label CP40 \n RKI( NCELL, 642) = RKI( NCELL, 53 ) \n! Reaction Label CP41 \n RKI( NCELL, 643) = RKI( NCELL, 54 ) \n! Reaction Label CP42 \n RKI( NCELL, 644) = RKI( NCELL, 55 ) \n! Reaction Label CP43 \n RKI( NCELL, 645) = RKI( NCELL, 56 ) \n! Reaction Label CP44 \n RKI( NCELL, 646) = RKI( NCELL, 56 ) \n! Reaction Label CP45 \n RKI( NCELL, 647) = RKI( NCELL, 70 ) \n! Reaction Label CP46 \n RKI( NCELL, 648) = RKI( NCELL, 70 ) \n! Reaction Label CP47 \n RKI( NCELL, 649) = RKI( NCELL, 70 ) \n! Reaction Label CP48 \n RKI( NCELL, 650) = RKI( NCELL, 70 ) \n! Reaction Label CP49 \n RKI( NCELL, 651) = RKI( NCELL, 52 ) \n! Reaction Label CP50 \n RKI( NCELL, 652) = RKI( NCELL, 53 ) \n! Reaction Label CP51 \n RKI( NCELL, 653) = RKI( NCELL, 54 ) \n! Reaction Label CP52 \n RKI( NCELL, 654) = RKI( NCELL, 55 ) \n! Reaction Label CP53 \n RKI( NCELL, 655) = RKI( NCELL, 56 ) \n! Reaction Label CP54 \n RKI( NCELL, 656) = RKI( NCELL, 56 ) \n! Reaction Label CP55 \n RKI( NCELL, 657) = RKI( NCELL, 70 ) \n! Reaction Label CP56 \n RKI( NCELL, 658) = RKI( NCELL, 70 ) \n! Reaction Label CP57 \n RKI( NCELL, 659) = RKI( NCELL, 70 ) \n! Reaction Label CP58 \n RKI( NCELL, 660) = RKI( NCELL, 70 ) \n! Reaction Label CE01 \n RKI( NCELL, 661) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.3000D-12, -1.2800D+03 )\n! Reaction Label CE02 \n RKI( NCELL, 662) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 1.6000D-29, 0.0000D+00, -3.3000D+00, & \n & 3.1000D-10, 0.0000D+00, -1.0000D+00, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label TE01 \n RKI( NCELL, 663) = 2.6700D-10 * CFACT \n! Reaction Label TE02 \n RKI( NCELL, 664) = 4.9000D-10 * CFACT \n! Reaction Label CE03 \n RKI( NCELL, 665) = 4.8000D-10 * CFACT \n! Reaction Label TE03 \n RKI( NCELL, 666) = 5.4600D-10 * CFACT \n! Reaction Label CE04 \n RKI( NCELL, 667) = CFACT * FALLOFF_T10( INV_TEMP, TEMPOT300, CAIR, & \n & 5.2000D-30, 0.0000D+00, -2.4000D+00, & \n & 2.2000D-10, 0.0000D+00, 0.0000D+00, & \n & 1.0000D+00, 6.0000D-01 )\n! Reaction Label TE04 \n RKI( NCELL, 668) = 6.2000D-11 * CFACT \n! Reaction Label TE05 \n RKI( NCELL, 669) = 1.3500D-10 * CFACT \n! Reaction Label TE06 \n RKI( NCELL, 670) = 1.4000D-10 * CFACT \n! Reaction Label TE07 \n RKI( NCELL, 671) = 1.4400D-10 * CFACT \n! Reaction Label TE08 \n RKI( NCELL, 672) = 2.4200D-10 * CFACT \n! Reaction Label TE09 \n RKI( NCELL, 673) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.6000D-11, 4.5000D+01 )\n! Reaction Label BC01 \n RKI( NCELL, 674) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.3000D-11, -1.0000D+02 )\n! Reaction Label BC02 \n RKI( NCELL, 675) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.2000D-10, 4.0000D+01 )\n! Reaction Label BC03 \n RKI( NCELL, 676) = 1.8600D-10 * CFACT \n! Reaction Label BC04 \n RKI( NCELL, 677) = 2.6300D-10 * CFACT \n! Reaction Label BC05 \n RKI( NCELL, 678) = 4.2100D-10 * CFACT \n! Reaction Label BC06 \n RKI( NCELL, 679) = 3.9200D-10 * CFACT \n! Reaction Label BC07 \n RKI( NCELL, 680) = 3.7700D-10 * CFACT \n! Reaction Label BC08 \n RKI( NCELL, 681) = 2.1600D-10 * CFACT \n! Reaction Label BC09a \n RKI( NCELL, 682) = 2.6600D-10 * CFACT \n! Reaction Label BC09b \n RKI( NCELL, 683) = 2.6600D-10 * CFACT \n! Reaction Label BC10 \n RKI( NCELL, 684) = 5.4600D-10 * CFACT \n! Reaction Label BC11 \n RKI( NCELL, 685) = RKI( NCELL, 684 ) \n! Reaction Label AE51 \n RKI( NCELL, 686) = RKI( NCELL, 52 ) \n! Reaction Label AE52 \n RKI( NCELL, 687) = RKI( NCELL, 53 ) \n! Reaction Label AE53 \n RKI( NCELL, 688) = RKI( NCELL, 52 ) \n! Reaction Label AE54 \n RKI( NCELL, 689) = RKI( NCELL, 53 ) \n! Reaction Label AE55 \n RKI( NCELL, 690) = RKI( NCELL, 52 ) \n! Reaction Label AE56 \n RKI( NCELL, 691) = RKI( NCELL, 53 ) \n! Reaction Label AE57 \n RKI( NCELL, 692) = RKI( NCELL, 52 ) \n! Reaction Label AE58 \n RKI( NCELL, 693) = RKI( NCELL, 53 ) \n! Reaction Label TR03 \n RKI( NCELL, 696) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.4000D-12, 1.3500D+02 )\n! Reaction Label TR05 \n RKI( NCELL, 697) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.0000D-12, -2.4310D+03 )\n! Reaction Label TR06 \n RKI( NCELL, 698) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.1000D-11, -3.0000D+01 )\n! Reaction Label TR07 \n RKI( NCELL, 699) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.4000D-12, 3.6500D+02 )\n! Reaction Label TR09 \n RKI( NCELL, 701) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.4000D-12, -1.8600D+03 )\n! Reaction Label TR10 \n RKI( NCELL, 702) = 8.0000D-11 * CFACT \n! Reaction Label TR11 \n RKI( NCELL, 703) = 1.9900D-11 * CFACT \n! Reaction Label TR12 \n RKI( NCELL, 704) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.4000D-15, -2.5280D+03 )\n! Reaction Label TR13 \n RKI( NCELL, 705) = 1.1800D-15 * CFACT \n! Reaction Label TR14 \n RKI( NCELL, 706) = 2.3700D-12 * CFACT \n! Reaction Label TR16 \n RKI( NCELL, 708) = 2.9400D-10 * CFACT \n! Reaction Label IS1 \n RKI( NCELL, 709) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.5400D-11, 4.1000D+02 )\n! Reaction Label IS2 \n RKI( NCELL, 710) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.6000D-12, 3.8000D+02 )\n! Reaction Label IS3 \n RKI( NCELL, 711) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.0600D-13, 1.3000D+03 )\n! Reaction Label IS4 \n RKI( NCELL, 712) = 1.8000D-12 * CFACT \n! Reaction Label IS5 \n RKI( NCELL, 713) = 6.8000D-13 * CFACT \n! Reaction Label IS6 \n RKI( NCELL, 714) = 2.3000D-12 * CFACT \n! Reaction Label IS7 \n RKI( NCELL, 715) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.4000D-13, 1.0700D+03 )\n! Reaction Label IS107 \n RKI( NCELL, 716) = SFACT * ARRHENUIS_T03( INV_TEMP, 4.0700D+08, -7.6940D+03 )\n! Reaction Label IS138 \n RKI( NCELL, 718) = 4.6000D-11 * CFACT \n! Reaction Label IS9 \n RKI( NCELL, 719) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.0300D-12, -4.4800D+02 )\n! Reaction Label IS10 \n RKI( NCELL, 720) = 2.3000D-12 * CFACT \n! Reaction Label IS11 \n RKI( NCELL, 721) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.6000D-12, 3.8000D+02 )\n! Reaction Label IS12 \n RKI( NCELL, 722) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.0600D-13, 1.3000D+03 )\n! Reaction Label IS13 \n RKI( NCELL, 723) = 1.3000D-12 * CFACT \n! Reaction Label IS14 \n RKI( NCELL, 724) = 6.0400D-13 * CFACT \n! Reaction Label IS140 \n RKI( NCELL, 725) = 1.2000D-12 * CFACT \n! Reaction Label IS15 \n RKI( NCELL, 726) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.4000D-13, 1.0700D+03 )\n! Reaction Label IS17 \n RKI( NCELL, 727) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.4200D-11, 6.1000D+02 )\n! Reaction Label IS18 \n RKI( NCELL, 728) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.6000D-12, 3.8000D+02 )\n! Reaction Label IS19 \n RKI( NCELL, 729) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.0600D-13, 1.3000D+03 )\n! Reaction Label IS20 \n RKI( NCELL, 730) = 2.0000D-13 * CFACT \n! Reaction Label IS21 \n RKI( NCELL, 731) = 3.5000D-14 * CFACT \n! Reaction Label IS22 \n RKI( NCELL, 732) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.4000D-13, 1.0700D+03 )\n! Reaction Label IS24 \n RKI( NCELL, 733) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.9400D-15, -1.5200D+03 )\n! Reaction Label IS25 \n RKI( NCELL, 734) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.2000D-11, 6.5200D+02 )\n! Reaction Label IS26 \n RKI( NCELL, 735) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.4000D-12, 3.6000D+02 )\n! Reaction Label IS141 \n RKI( NCELL, 736) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.0600D-13, 1.3000D+03 )\n! Reaction Label IS142 \n RKI( NCELL, 737) = 2.0000D-13 * CFACT \n! Reaction Label IS143 \n RKI( NCELL, 738) = 3.5000D-14 * CFACT \n! Reaction Label IS144 \n RKI( NCELL, 739) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.4000D-13, 1.0700D+03 )\n! Reaction Label IS27 \n RKI( NCELL, 740) = 2.9000D-17 * CFACT \n! Reaction Label IS28 \n RKI( NCELL, 741) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.4000D-12, 7.4500D+02 )\n! Reaction Label IS29 \n RKI( NCELL, 742) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.4000D-12, 3.6000D+02 )\n! Reaction Label IS145 \n RKI( NCELL, 743) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.0600D-13, 1.3000D+03 )\n! Reaction Label IS146 \n RKI( NCELL, 744) = 2.0000D-13 * CFACT \n! Reaction Label IS147 \n RKI( NCELL, 745) = 3.5000D-14 * CFACT \n! Reaction Label IS148 \n RKI( NCELL, 746) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.4000D-13, 1.0700D+03 )\n! Reaction Label IS30 \n RKI( NCELL, 747) = 3.7000D-19 * CFACT \n! Reaction Label IS31 \n RKI( NCELL, 748) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.1500D-13, -4.4800D+02 )\n! Reaction Label IS32 \n RKI( NCELL, 749) = 4.0000D-12 * CFACT \n! Reaction Label IS34 \n RKI( NCELL, 750) = RKI( NCELL, 76 ) \n! Reaction Label IS109 \n RKI( NCELL, 751) = RKI( NCELL, 73 ) \n! Reaction Label IS36 \n RKI( NCELL, 752) = RKI( NCELL, 67 ) \n! Reaction Label IS38 \n RKI( NCELL, 753) = RKI( NCELL, 70 ) \n! Reaction Label IS40 \n RKI( NCELL, 754) = RKI( NCELL, 69 ) \n! Reaction Label IS41 \n RKI( NCELL, 755) = RKI( NCELL, 72 ) \n! Reaction Label IS33 \n RKI( NCELL, 756) = 2.3000D-12 * CFACT \n! Reaction Label IS35 \n RKI( NCELL, 757) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.6000D-12, 3.8000D+02 )\n! Reaction Label IS37 \n RKI( NCELL, 758) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.0600D-13, 1.3000D+03 )\n! Reaction Label IS39 \n RKI( NCELL, 759) = 3.5000D-14 * CFACT \n! Reaction Label IS43 \n RKI( NCELL, 760) = 2.0000D-13 * CFACT \n! Reaction Label IS44 \n RKI( NCELL, 761) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.4000D-13, 1.0700D+03 )\n! Reaction Label IS46 \n RKI( NCELL, 762) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.1500D-15, -1.5200D+03 )\n! Reaction Label IS47 \n RKI( NCELL, 763) = CFACT * ARRHENUIS_T03( INV_TEMP, 7.4800D-12, 4.1000D+02 )\n! Reaction Label IS48 \n RKI( NCELL, 764) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.6000D-12, 3.8000D+02 )\n! Reaction Label IS50 \n RKI( NCELL, 765) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.0600D-13, 1.3000D+03 )\n! Reaction Label IS51 \n RKI( NCELL, 766) = 3.5000D-14 * CFACT \n! Reaction Label IS52 \n RKI( NCELL, 767) = 2.0000D-13 * CFACT \n! Reaction Label IS53 \n RKI( NCELL, 768) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.4000D-13, 1.0700D+03 )\n! Reaction Label IS55 \n RKI( NCELL, 769) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.6000D-12, 3.8000D+02 )\n! Reaction Label IS102 \n RKI( NCELL, 770) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.0600D-13, 1.3000D+03 )\n! Reaction Label IS103 \n RKI( NCELL, 771) = 2.0000D-13 * CFACT \n! Reaction Label IS104 \n RKI( NCELL, 772) = 3.5000D-14 * CFACT \n! Reaction Label IS105 \n RKI( NCELL, 773) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.4000D-13, 1.0700D+03 )\n! Reaction Label IS56 \n RKI( NCELL, 774) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.6000D-12, 6.1000D+02 )\n! Reaction Label IS57 \n RKI( NCELL, 775) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.6000D-12, 3.8000D+02 )\n! Reaction Label IS58 \n RKI( NCELL, 776) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.8200D-13, 1.3000D+03 )\n! Reaction Label IS59 \n RKI( NCELL, 777) = 2.0000D-13 * CFACT \n! Reaction Label IS60 \n RKI( NCELL, 778) = 3.5000D-14 * CFACT \n! Reaction Label IS61 \n RKI( NCELL, 779) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.4000D-13, 1.0700D+03 )\n! Reaction Label IS63 \n RKI( NCELL, 780) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.6000D-12, 3.8000D+02 )\n! Reaction Label IS64 \n RKI( NCELL, 781) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.8200D-13, 1.3000D+03 )\n! Reaction Label IS65 \n RKI( NCELL, 782) = 2.0000D-13 * CFACT \n! Reaction Label IS66 \n RKI( NCELL, 783) = 3.5000D-14 * CFACT \n! Reaction Label IS67 \n RKI( NCELL, 784) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.4000D-13, 1.0700D+03 )\n! Reaction Label IS69 \n RKI( NCELL, 785) = CFACT * ARRHENUIS_T03( INV_TEMP, 6.7000D-12, 3.4000D+02 )\n! Reaction Label IS70 \n RKI( NCELL, 786) = RKI( NCELL, 67 ) \n! Reaction Label IS71 \n RKI( NCELL, 787) = 4.0000D-12 * CFACT \n! Reaction Label IS72 \n RKI( NCELL, 788) = RKI( NCELL, 69 ) \n! Reaction Label IS73 \n RKI( NCELL, 789) = RKI( NCELL, 70 ) \n! Reaction Label IS74 \n RKI( NCELL, 790) = RKI( NCELL, 70 ) \n! Reaction Label IS75 \n RKI( NCELL, 791) = RKI( NCELL, 72 ) \n! Reaction Label IS76 \n RKI( NCELL, 792) = RKI( NCELL, 72 ) \n! Reaction Label IS77 \n RKI( NCELL, 793) = RKI( NCELL, 72 ) \n! Reaction Label IS78 \n RKI( NCELL, 794) = RKI( NCELL, 72 ) \n! Reaction Label IS108 \n RKI( NCELL, 795) = 2.9000D-11 * CFACT \n! Reaction Label IS79 \n RKI( NCELL, 796) = 8.0000D-12 * CFACT \n! Reaction Label IS80 \n RKI( NCELL, 797) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.1500D-12, 3.0500D+02 )\n! Reaction Label IS82 \n RKI( NCELL, 799) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.9400D-12, 3.6500D+02 )\n! Reaction Label IS83 \n RKI( NCELL, 801) = 4.0000D-13 * CFACT \n! Reaction Label IS93 \n RKI( NCELL, 802) = 4.0000D-13 * CFACT \n! Reaction Label IS84 \n RKI( NCELL, 805) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.5000D-12, 1.4000D+02 )\n! Reaction Label IS85 \n RKI( NCELL, 807) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.2800D-11, 4.0500D+02 )\n! Reaction Label IS86 \n RKI( NCELL, 809) = 1.0000D-11 * CFACT \n! Reaction Label IS88 \n RKI( NCELL, 811) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.9000D-11, 3.9000D+02 )\n! Reaction Label IS89 \n RKI( NCELL, 812) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.7500D-12, 2.0000D+02 )\n! Reaction Label IS90 \n RKI( NCELL, 813) = CFACT * ARRHENUIS_T03( INV_TEMP, 5.7800D-11, -4.0000D+02 )\n! Reaction Label IS91 \n RKI( NCELL, 814) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.0600D-13, 1.3000D+03 )\n! Reaction Label IS96 \n RKI( NCELL, 815) = CFACT * ARRHENUIS_T03( INV_TEMP, 2.6000D-12, 3.8000D+02 )\n! Reaction Label IS112 \n RKI( NCELL, 816) = 2.0000D-13 * CFACT \n! Reaction Label IS113 \n RKI( NCELL, 817) = 3.5000D-14 * CFACT \n! Reaction Label IS114 \n RKI( NCELL, 818) = CFACT * ARRHENUIS_T03( INV_TEMP, 4.4000D-13, 1.0700D+03 )\n! Reaction Label IS94 \n RKI( NCELL, 820) = 8.0000D-12 * CFACT \n! Reaction Label IS99 \n RKI( NCELL, 821) = 5.0000D-11 * CFACT \n! Reaction Label IS139 \n RKI( NCELL, 822) = CFACT * ARRHENUIS_T03( INV_TEMP, 3.8000D-12, 2.0000D+02 )\n! Reaction Label IS00 \n RKI( NCELL, 823) = CFACT * ARRHENUIS_T03( INV_TEMP, 8.0000D-12, 3.8000D+02 )\n! Reaction Label BP56 \n RKI( NCELL, 824) = CFACT * ARRHENUIS_T03( INV_TEMP, 1.5000D-12, -1.8150D+03 )\n! Reaction Label CP16 \n RKI( NCELL, 826) = 3.8500D-10 * CFACT \n! Reaction Label IA69 \n RKI( NCELL, 827) = CFACT * ARRHENUIS_T03( INV_TEMP, 6.7000D-12, 3.4000D+02 )\n! Reaction Label IA70 \n RKI( NCELL, 828) = RKI( NCELL, 67 ) \n! Reaction Label IA71 \n RKI( NCELL, 829) = 4.0000D-12 * CFACT \n! Reaction Label IA72 \n RKI( NCELL, 830) = RKI( NCELL, 69 ) \n! Reaction Label IA73 \n RKI( NCELL, 831) = RKI( NCELL, 70 ) \n! Reaction Label IA74 \n RKI( NCELL, 832) = RKI( NCELL, 70 ) \n! Reaction Label IA75 \n RKI( NCELL, 833) = RKI( NCELL, 72 ) \n! Reaction Label IA76 \n RKI( NCELL, 834) = RKI( NCELL, 72 ) \n! Reaction Label IA77 \n RKI( NCELL, 835) = RKI( NCELL, 72 ) \n! Reaction Label IA78 \n RKI( NCELL, 836) = RKI( NCELL, 72 ) \n! Reaction Label IA79 \n RKI( NCELL, 837) = RKI( NCELL, 72 ) \n! Reaction Label IA80 \n RKI( NCELL, 838) = SFACT * ARRHENUIS_T03( INV_TEMP, 2.9000D+07, -5.2970D+03 )\n! Reaction Label IA51 \n RKI( NCELL, 839) = RKI( NCELL, 73 ) \n! Reaction Label IA52 \n RKI( NCELL, 840) = SFACT * ARRHENUIS_T03( INV_TEMP, 1.6000D+16, -1.3486D+04 )\n! Reaction Label IC01 \n RKI( NCELL, 842) = RKI( NCELL, 70 ) \n! Reaction Label IC02 \n RKI( NCELL, 843) = RKI( NCELL, 70 ) \n! Reaction Label IC03 \n RKI( NCELL, 844) = RKI( NCELL, 70 ) \n! Reaction Label IC04 \n RKI( NCELL, 845) = RKI( NCELL, 70 ) \n! Reaction Label IC05 \n RKI( NCELL, 846) = RKI( NCELL, 70 ) \n! Reaction Label IC06 \n RKI( NCELL, 847) = RKI( NCELL, 70 ) \n! Reaction Label IC07 \n RKI( NCELL, 848) = RKI( NCELL, 70 ) \n! Reaction Label IC08 \n RKI( NCELL, 849) = RKI( NCELL, 70 ) \n! Reaction Label IC09 \n RKI( NCELL, 850) = RKI( NCELL, 70 ) \n! Reaction Label IC10 \n RKI( NCELL, 851) = RKI( NCELL, 70 ) \n! Reaction Label IC11 \n RKI( NCELL, 852) = RKI( NCELL, 70 ) \n! Reaction Label IC12 \n RKI( NCELL, 853) = RKI( NCELL, 70 ) \n! Reaction Label IC13 \n RKI( NCELL, 854) = RKI( NCELL, 70 ) \n! Reaction Label IC14 \n RKI( NCELL, 855) = RKI( NCELL, 70 ) \n! Reaction Label IC15 \n RKI( NCELL, 856) = RKI( NCELL, 70 ) \n! Reaction Label IC16 \n RKI( NCELL, 857) = RKI( NCELL, 70 ) \n! Reaction Label IC17 \n RKI( NCELL, 858) = RKI( NCELL, 70 ) \n! Reaction Label IC18 \n RKI( NCELL, 859) = RKI( NCELL, 70 ) \n! Reaction Label IC19 \n RKI( NCELL, 860) = RKI( NCELL, 70 ) \n! Reaction Label IC20 \n RKI( NCELL, 861) = RKI( NCELL, 70 ) \n! Reaction Label IC21 \n RKI( NCELL, 862) = RKI( NCELL, 70 ) \n! Reaction Label IC22 \n RKI( NCELL, 863) = RKI( NCELL, 70 ) \n! Reaction Label IC23 \n RKI( NCELL, 864) = RKI( NCELL, 70 ) \n! Reaction Label IC24 \n RKI( NCELL, 865) = RKI( NCELL, 70 ) \n! Reaction Label IC25 \n RKI( NCELL, 866) = RKI( NCELL, 70 ) \n! Reaction Label IC26 \n RKI( NCELL, 867) = RKI( NCELL, 70 ) \n! Reaction Label IC27 \n RKI( NCELL, 868) = RKI( NCELL, 70 ) \n! Reaction Label IC28 \n RKI( NCELL, 869) = RKI( NCELL, 70 ) \n! Reaction Label IC29 \n RKI( NCELL, 870) = RKI( NCELL, 70 ) \n! Reaction Label IC30 \n RKI( NCELL, 871) = RKI( NCELL, 70 ) \n! Reaction Label IC31 \n RKI( NCELL, 872) = RKI( NCELL, 70 ) \n! Reaction Label IC32 \n RKI( NCELL, 873) = RKI( NCELL, 70 ) \n! Reaction Label IC33 \n RKI( NCELL, 874) = RKI( NCELL, 70 ) \n! Reaction Label IC34 \n RKI( NCELL, 875) = RKI( NCELL, 70 ) \n! Reaction Label IC35 \n RKI( NCELL, 876) = RKI( NCELL, 70 ) \n! Reaction Label IA108 \n RKI( NCELL, 877) = 3.0000D-11 * CFACT \n! Reaction Label IA90 \n RKI( NCELL, 878) = 1.0000D-12 * CFACT \n! Reaction Label IA91 \n RKI( NCELL, 879) = 4.4000D-12 * CFACT \n! Reaction Label IA92 \n RKI( NCELL, 880) = 1.6600D-11 * CFACT \n! Reaction Label CP07mtp \n RKI( NCELL, 881) = 1.9200D-10 * CFACT \n! Reaction Label BP70mtp \n RKI( NCELL, 882) = 7.2000D-12 * CFACT \n! Reaction Label HET_N02 \n RKI( NCELL, 884) = BLKHET( NCELL, IK_HETERO_NO2 )\n! Reaction Label HET_N2O5IJ \n RKI( NCELL, 885) = BLKHET( NCELL, IK_HETERO_N2O5IJ )\n! Reaction Label HET_N2O5K \n RKI( NCELL, 886) = BLKHET( NCELL, IK_HETERO_N2O5K )\n! Reaction Label HET_H2NO3PIJA \n RKI( NCELL, 887) = BLKHET( NCELL, IK_HETERO_H2NO3PAIJ )\n! Reaction Label HET_H2NO3PKA \n RKI( NCELL, 888) = BLKHET( NCELL, IK_HETERO_H2NO3PAK )\n! Reaction Label HET_H2NO3PIB \n RKI( NCELL, 889) = BLKHET( NCELL, IK_HETERO_H2NO3PBIJ )\n! Reaction Label HET_H2NO3PJB \n RKI( NCELL, 890) = BLKHET( NCELL, IK_HETERO_H2NO3PBIJ )\n! Reaction Label HET_H2NO3PKB \n RKI( NCELL, 891) = BLKHET( NCELL, IK_HETERO_H2NO3PBK )\n! Reaction Label HET_IEPOX \n RKI( NCELL, 893) = BLKHET( NCELL, IK_HETERO_IEPOX )\n! Reaction Label HET_IMAE \n RKI( NCELL, 894) = BLKHET( NCELL, IK_HETERO_IMAE )\n! Reaction Label HET_IHMML \n RKI( NCELL, 895) = BLKHET( NCELL, IK_HETERO_IMAE )\n! Reaction Label HET_TETROL \n RKI( NCELL, 896) = BLKHET( NCELL, IK_HETERO_TETROL )\n! Reaction Label HET_IEPOXOS \n RKI( NCELL, 897) = BLKHET( NCELL, IK_HETERO_IEPOXOS )\n! Reaction Label HET_DIM1 \n RKI( NCELL, 898) = BLKHET( NCELL, IK_HETERO_TETROLDIM )\n! Reaction Label HET_DIM2 \n RKI( NCELL, 899) = BLKHET( NCELL, IK_HETERO_IEPOXOSDI )\n! Reaction Label HET_2MG1 \n RKI( NCELL, 900) = BLKHET( NCELL, IK_HETERO_2MG )\n! Reaction Label HET_IMAEOS1 \n RKI( NCELL, 901) = BLKHET( NCELL, IK_HETERO_IMAEOS )\n! Reaction Label HET_2MG2 \n RKI( NCELL, 902) = BLKHET( NCELL, IK_HETERO_2MG )\n! Reaction Label HET_IMAEOS2 \n RKI( NCELL, 903) = BLKHET( NCELL, IK_HETERO_IMAEOS )\n! Reaction Label HET_NO3 \n RKI( NCELL, 904) = BLKHET( NCELL, IK_HETERO_NO3 )\n! Reaction Label OLIG_ISOPRENE1 \n RKI( NCELL, 905) = 9.4882D-06 * SFACT \n! Reaction Label OLIG_ISOPRENE2 \n RKI( NCELL, 906) = 9.4882D-06 * SFACT \n! Reaction Label OLIG_SESQT1 \n RKI( NCELL, 907) = 9.4882D-06 * SFACT \n! Reaction Label OLIG_AROMATIC1 \n RKI( NCELL, 908) = 9.4882D-06 * SFACT \n! Reaction Label OLIG_AROMATIC2 \n RKI( NCELL, 909) = 9.4882D-06 * SFACT \n! Reaction Label OLIG_AROMATIC3 \n RKI( NCELL, 910) = 9.4882D-06 * SFACT \n! Reaction Label RPOAGEPI \n RKI( NCELL, 911) = 2.5000D-12 * CFACT \n! Reaction Label RPOAGELI \n RKI( NCELL, 912) = BLKHET( NCELL, IK_HETERO_PNCOMLI )\n! Reaction Label RPOAGEPJ \n RKI( NCELL, 913) = 2.5000D-12 * CFACT \n! Reaction Label RPOAGELJ \n RKI( NCELL, 914) = BLKHET( NCELL, IK_HETERO_PNCOMLJ )\n! Reaction Label PCSOA \n RKI( NCELL, 915) = 1.2500D-11 * CFACT \n! Reaction Label POA_AGE1 \n RKI( NCELL, 916) = 4.0000D-11 * CFACT \n! Reaction Label POA_AGE2 \n RKI( NCELL, 917) = 4.0000D-11 * CFACT \n! Reaction Label POA_AGE3 \n RKI( NCELL, 918) = 4.0000D-11 * CFACT \n! Reaction Label POA_AGE4 \n RKI( NCELL, 919) = 4.0000D-11 * CFACT \n! Reaction Label POA_AGE5 \n RKI( NCELL, 920) = 4.0000D-11 * CFACT \n! Reaction Label POA_AGE6 \n RKI( NCELL, 921) = 4.0000D-11 * CFACT \n! Reaction Label POA_AGE7 \n RKI( NCELL, 922) = 4.0000D-11 * CFACT \n! Reaction Label POA_AGE8 \n RKI( NCELL, 923) = 4.0000D-11 * CFACT \n! Reaction Label POA_AGE9 \n RKI( NCELL, 924) = 4.0000D-11 * CFACT \n! Reaction Label POA_AGE10 \n RKI( NCELL, 925) = 4.0000D-11 * CFACT \n! Reaction Label HYD_MT \n RKI( NCELL, 926) = 9.2590D-05 * SFACT \n! Reaction Label HYD_ISOP \n RKI( NCELL, 927) = 9.2590D-05 * SFACT \n! Reaction Label HET_GLY \n RKI( NCELL, 928) = BLKHET( NCELL, IK_HETERO_GLY )\n! Reaction Label HET_MGLY \n RKI( NCELL, 929) = BLKHET( NCELL, IK_HETERO_MGLY )\n\n END DO \n! Multiply rate constants by [M], [O2], [N2], [H2O], [H2], or [CH4]\n! where needed and return\n IF ( NWM .GT. 0 ) THEN\n DO NRT = 1, NWM\n IRXN = NRXWM( NRT )\n DO NCELL = 1, NUMCELLS\n RKI( NCELL,IRXN ) = RKI( NCELL,IRXN ) * ATM_AIR\n END DO\n END DO\n END IF\n IF ( NWO2 .GT. 0 ) THEN\n DO NRT = 1, NWO2\n IRXN = NRXWO2( NRT )\n DO NCELL = 1, NUMCELLS\n RKI( NCELL,IRXN ) = RKI( NCELL,IRXN ) * ATM_O2\n END DO\n END DO\n END IF\n IF ( NWN2 .GT. 0 ) THEN\n DO NRT = 1, NWN2\n IRXN = NRXWN2( NRT )\n DO NCELL = 1, NUMCELLS\n RKI( NCELL,IRXN ) = RKI( NCELL,IRXN ) * ATM_N2\n END DO\n END DO\n END IF\n IF ( NWW .GT. 0 ) THEN\n DO NRT = 1, NWW\n IRXN = NRXWW( NRT )\n DO NCELL = 1, NUMCELLS\n RKI( NCELL,IRXN ) = RKI( NCELL,IRXN ) * BLKH2O( NCELL )\n END DO\n END DO\n END IF\n IF ( NWH2 .GT. 0 ) THEN\n DO NRT = 1, NWH2\n IRXN = NRXWH2( NRT )\n DO NCELL = 1, NUMCELLS\n RKI( NCELL,IRXN ) = RKI( NCELL,IRXN ) * ATM_H2\n END DO\n END DO\n END IF\n IF ( NWCH4 .GT. 0 ) THEN\n DO NRT = 1, NWCH4\n IRXN = NRXWCH4( NRT )\n DO NCELL = 1, NUMCELLS\n RKI( NCELL,IRXN ) = RKI( NCELL,IRXN ) * ATM_CH4\n END DO\n END DO\n END IF\n RETURN\n END SUBROUTINE CALC_RCONST\n FUNCTION MAP_CHEMISTRY_SPECIES() RESULT ( SUCCESS )\n\n! Purpose find or test the CGRID Index, Species Type, and Conversion Factor\n! for the Mechanism against the CMAQ namelists\n\n USE UTILIO_DEFN\n USE CGRID_SPCS\n USE RXNS_DATA\n\n IMPLICIT NONE\n\n!Parameters:\n CHARACTER( 1 ), PARAMETER :: BL = ' '\n INTEGER, PARAMETER :: SPC_DIM = 200\n!Local:\n\n LOGICAL SUCCESS\n INTEGER I, IOS, J\n INTEGER I1, I2, I3, I4 ! SURROGATE TYPE 1 COUNTERS\n INTEGER J1, J2 ! SURROGATE TYPE 2 COUNTERS\n INTEGER K1, K2, K3, K4, K5 ! CONTROL TYPE COUNTERS\n INTEGER ICALL\n\n LOGICAL :: ORDER = .TRUE.\n LOGICAL :: FOUND = .TRUE.\n\n CHARACTER( 120 ) :: XMSG\n\n CHARACTER( 16 ), ALLOCATABLE :: CGRID_SPC ( : )\n CHARACTER( 16 ), ALLOCATABLE :: NML_SPC ( : )\n CHARACTER( 2 ), ALLOCATABLE :: NML_TYPE ( : )\n INTEGER, ALLOCATABLE :: NML_INDEX ( : )\n LOGICAL, ALLOCATABLE :: NML_CONVERT( : )\n REAL, ALLOCATABLE :: NML_MOLWT ( : )\n REAL :: DELTA ! fractional difference\n\n LOGICAL, SAVE :: INITIALIZED = .FALSE.\n\n IF( INITIALIZED )RETURN\n\n INITIALIZED = .TRUE.\n SUCCESS = .TRUE.\n\n\n ALLOCATE ( CGRID_SPC( NSPCSD - 1 ), &\n & NML_SPC ( NSPCSD - 1 ), &\n & NML_INDEX( NSPCSD - 1 ), &\n & NML_TYPE( NSPCSD - 1 ), &\n & NML_CONVERT( NSPCSD - 1 ), &\n & NML_MOLWT( NSPCSD - 1 ), &\n & STAT = IOS )\n\n\n J = 0\n\n\n NML_INDEX = -1\n TYPE_INDEX = -1\n NML_TYPE = '??'\n NML_CONVERT = .FALSE.\n\n DO I = 1, N_GC_SPC ! load gc names and indices\n J = J + 1\n CGRID_SPC( I ) = GC_SPC( I )\n NML_INDEX( J ) = I + GC_STRT -1\n NML_TYPE( J ) = 'GC'\n NML_MOLWT( J ) = GC_MOLWT( I )\n END DO\n\n DO I = 1, N_AE_SPC ! load ae names and indices\n J = J + 1\n CGRID_SPC( J ) = AE_SPC( I )\n NML_INDEX( J ) = I + AE_STRT - 1\n NML_TYPE( J ) = 'AE'\n NML_CONVERT( J ) = .TRUE.\n NML_MOLWT( J ) = AE_MOLWT( I )\n END DO\n\n DO I = 1, N_NR_SPC ! load nr names and indices\n J = J + 1\n CGRID_SPC( J ) = NR_SPC( I )\n NML_INDEX( J ) = I + NR_STRT - 1\n NML_TYPE( J ) = 'NR'\n NML_MOLWT( J ) = NR_MOLWT( I )\n END DO\n\n DO I = 1, N_TR_SPC ! load tr names and indices\n J = J + 1\n CGRID_SPC( J ) = TR_SPC( I )\n NML_INDEX( J ) = I + TR_STRT - 1\n NML_TYPE( J ) = 'TR'\n NML_MOLWT( J ) = TR_MOLWT( I )\n END DO\n\n NML_SPC( 1:(NSPCSD-1) ) = CGRID_SPC( 1:(NSPCSD-1) )\n\n\n! determine if mechanism species are in cgrid species\n\n DO I = 1, NUMB_MECH_SPC\n! set species informations arrays using SPECIES_LIST array before mapping\n CHEMISTRY_SPC( I ) = SPECIES_LIST( I )%CHEMISTRY_SPC\n CGRID_INDEX ( I ) = SPECIES_LIST( I )%CGRID_INDEX\n SPECIES_TYPE ( I ) = SPECIES_LIST( I )%SPECIES_TYPE\n CONVERT_CONC ( I ) = SPECIES_LIST( I )%CONVERT_CONC\n SPECIES_MOLWT( I ) = SPECIES_LIST( I )%SPECIES_MOLWT\n\n I1 = INDEX1R( CHEMISTRY_SPC( I ), (NSPCSD-1), CGRID_SPC )\n IF ( I1 .LT. 1 ) THEN\n FOUND = .FALSE.\n ELSE\n FOUND = .TRUE.\n IF( .NOT. MAPPED_TO_CGRID )THEN\n CGRID_INDEX( I ) = NML_INDEX( I1 )\n SPECIES_TYPE( I ) = NML_TYPE ( I1 )\n SPECIES_MOLWT( I ) = NML_MOLWT( I1 )\n CONVERT_CONC( I ) = NML_CONVERT( I1 )\n ELSE\n IF(CGRID_INDEX( I ) .NE. NML_INDEX( I1 ))THEN\n SUCCESS = .FALSE.\n XMSG = '*** For Species ' // TRIM( CHEMISTRY_SPC( I ) ) &\n & // ' cgrid index does not match mechanism value.'\n WRITE( LOGDEV,'( /5X, A )' ) TRIM( XMSG )\n WRITE( XMSG,'(A,I3,1X,I3)')'CGRID Indices: Mechanism and NML Values are ', &\n & CGRID_INDEX( I ),NML_INDEX( I1 )\n WRITE( LOGDEV,'( 5X, A )' )XMSG\n END IF\n IF(CONVERT_CONC( I ) .NEQV. NML_CONVERT( I1 ))THEN\n SUCCESS = .FALSE.\n XMSG = '*** For Species ' // TRIM( CHEMISTRY_SPC( I ) ) &\n & // ' species unit conversion flag does not match mechanism value.'\n WRITE( LOGDEV,'( /5X, A )' ) TRIM( XMSG )\n WRITE( XMSG,'(A,1X,L21X,L2)')'CONVERSION FLAGS: Mechanism and NML Values are ', &\n & CONVERT_CONC( I ),NML_CONVERT( I1 )\n WRITE( LOGDEV,'( 5X, A )' )XMSG\n WRITE( XMSG,'(A,1X,A3,1X,A3)')'SPECIES TYPE: Mechanism and NML Values are ', &\n & SPECIES_TYPE( I ),NML_TYPE( I1 )\n WRITE( LOGDEV,'( 5X, A )' )XMSG\n END IF\n DELTA = ( SPECIES_MOLWT( I ) - NML_MOLWT( I1 ) )/MAX(NML_MOLWT( I1 ),1.0E-20)\n IF( ABS( DELTA ) .GE. 0.05 )THEN\n IF( CONVERT_CONC( I ) )SUCCESS = .FALSE.\n XMSG = '*** For Species ' // TRIM( CHEMISTRY_SPC( I ) ) &\n & // ' species molecular weight does not match mechanism value.'\n WRITE( LOGDEV,'( /5X, A )' ) TRIM( XMSG )\n WRITE( XMSG,'(A,2(ES12.4,1X))')'Molecular Weight: Mechanism and NML Values are ', &\n & SPECIES_MOLWT( I ), NML_MOLWT( I1 )\n WRITE( LOGDEV,'( 5X, A )' )XMSG\n END IF\n END IF\n END IF\n IF( INDEX( CHEMISTRY_SPC( I ), 'SRF') .GT. 0 )THEN\n SUCCESS = .FALSE.\n XMSG = '*** reactions cannot use modal aerosol surface area as species'\n WRITE( LOGDEV,'( /5X, A )' ) TRIM( XMSG )\n XMSG = TRIM( CHEMISTRY_SPC( I ) )\n WRITE( LOGDEV,'( 2X, A )' ) TRIM( XMSG )\n END IF\n IF( INDEX( CHEMISTRY_SPC( I ), 'NUM') .GT. 0 )THEN\n SUCCESS = .FALSE.\n XMSG = '*** reactions cannot use modal aerosol number density as species'\n WRITE( LOGDEV,'( /5X, A )' ) TRIM( XMSG )\n XMSG = TRIM( CHEMISTRY_SPC( I ) )\n WRITE( LOGDEV,'( 2X, A )' ) TRIM( XMSG )\n END IF\n IF ( .NOT. FOUND ) THEN\n XMSG = 'Fatal error: Mechanism Species found not in species namelist:'\n WRITE( LOGDEV,'( /5X, A )', ADVANCE = 'NO' ) TRIM( XMSG )\n XMSG = TRIM( CHEMISTRY_SPC( I ) )\n WRITE( LOGDEV,'( 2X, A )' ) TRIM( XMSG )\n SUCCESS = .FALSE.\n END IF\n END DO\n\n IF( SUCCESS )RETURN\n\n WRITE(LOGDEV,99901)TRIM( MECHNAME )\n XMSG = 'The FATAL errors found in namelist used. Check ' &\n & // 'the log of exiting processor if more details are needed.'\n CALL M3WARN('MAP_CHEMISTRY_SPECIES',0,0,XMSG)\n\n\n99901 FORMAT( / 'FATAL error(s) found in the namelists used. Check that ' &\n & / 'these namelists contain the above data as the respective files ' &\n & / 'in the respository version of the mechanism: ' , A )\n\n RETURN\n\n END FUNCTION MAP_CHEMISTRY_SPECIES\n!----------------------------------------------------------------------------------------\n INTEGER FUNCTION INDEX1R ( NAME, N, NLIST )\n IMPLICIT NONE\n CHARACTER( * ) NAME ! character string being searched for\n INTEGER N ! length of array to be searched\n CHARACTER( * ) NLIST( : ) ! array to be searched\n\n INTEGER I\n\n DO I = 1, N\n IF ( NAME .EQ. NLIST( I ) ) THEN\n INDEX1R = I\n RETURN\n END IF\n END DO\n INDEX1R = 0\n RETURN\n\n END FUNCTION INDEX1R\n SUBROUTINE RESET_SPECIES_POINTERS( IOLD2NEW )\n\n USE RXNS_DATA\n IMPLICIT NONE\n INTEGER, INTENT( IN ) :: IOLD2NEW( :,: ) \n\n\n INDEX_NO2 = IOLD2NEW( INDEX_NO2 , 1 )\n INDEX_NO = IOLD2NEW( INDEX_NO , 1 )\n INDEX_O3P = IOLD2NEW( INDEX_O3P , 1 )\n INDEX_O3 = IOLD2NEW( INDEX_O3 , 1 )\n INDEX_NO3 = IOLD2NEW( INDEX_NO3 , 1 )\n INDEX_N2O5 = IOLD2NEW( INDEX_N2O5 , 1 )\n INDEX_HNO3 = IOLD2NEW( INDEX_HNO3 , 1 )\n INDEX_O1D = IOLD2NEW( INDEX_O1D , 1 )\n INDEX_OH = IOLD2NEW( INDEX_OH , 1 )\n INDEX_HONO = IOLD2NEW( INDEX_HONO , 1 )\n INDEX_HO2 = IOLD2NEW( INDEX_HO2 , 1 )\n INDEX_CO = IOLD2NEW( INDEX_CO , 1 )\n INDEX_CO2 = IOLD2NEW( INDEX_CO2 , 1 )\n INDEX_HNO4 = IOLD2NEW( INDEX_HNO4 , 1 )\n INDEX_HO2H = IOLD2NEW( INDEX_HO2H , 1 )\n INDEX_SO2 = IOLD2NEW( INDEX_SO2 , 1 )\n INDEX_SULF = IOLD2NEW( INDEX_SULF , 1 )\n INDEX_SULRXN = IOLD2NEW( INDEX_SULRXN , 1 )\n INDEX_MEO2 = IOLD2NEW( INDEX_MEO2 , 1 )\n INDEX_HCHO = IOLD2NEW( INDEX_HCHO , 1 )\n INDEX_COOH = IOLD2NEW( INDEX_COOH , 1 )\n INDEX_MEOH = IOLD2NEW( INDEX_MEOH , 1 )\n INDEX_RO2C = IOLD2NEW( INDEX_RO2C , 1 )\n INDEX_RO2XC = IOLD2NEW( INDEX_RO2XC , 1 )\n INDEX_MECO3 = IOLD2NEW( INDEX_MECO3 , 1 )\n INDEX_PAN = IOLD2NEW( INDEX_PAN , 1 )\n INDEX_CCOOOH = IOLD2NEW( INDEX_CCOOOH , 1 )\n INDEX_CCOOH = IOLD2NEW( INDEX_CCOOH , 1 )\n INDEX_RCO3 = IOLD2NEW( INDEX_RCO3 , 1 )\n INDEX_PAN2 = IOLD2NEW( INDEX_PAN2 , 1 )\n INDEX_xHO2 = IOLD2NEW( INDEX_xHO2 , 1 )\n INDEX_yROOH = IOLD2NEW( INDEX_yROOH , 1 )\n INDEX_xCCHO = IOLD2NEW( INDEX_xCCHO , 1 )\n INDEX_RCOOOH = IOLD2NEW( INDEX_RCOOOH , 1 )\n INDEX_RCOOH = IOLD2NEW( INDEX_RCOOH , 1 )\n INDEX_BZCO3 = IOLD2NEW( INDEX_BZCO3 , 1 )\n INDEX_PBZN = IOLD2NEW( INDEX_PBZN , 1 )\n INDEX_BZO = IOLD2NEW( INDEX_BZO , 1 )\n INDEX_MACO3 = IOLD2NEW( INDEX_MACO3 , 1 )\n INDEX_MAPAN = IOLD2NEW( INDEX_MAPAN , 1 )\n INDEX_TBUO = IOLD2NEW( INDEX_TBUO , 1 )\n INDEX_RNO3 = IOLD2NEW( INDEX_RNO3 , 1 )\n INDEX_ACETONE = IOLD2NEW( INDEX_ACETONE , 1 )\n INDEX_NPHE = IOLD2NEW( INDEX_NPHE , 1 )\n INDEX_CRES = IOLD2NEW( INDEX_CRES , 1 )\n INDEX_xOH = IOLD2NEW( INDEX_xOH , 1 )\n INDEX_xNO2 = IOLD2NEW( INDEX_xNO2 , 1 )\n INDEX_xMEO2 = IOLD2NEW( INDEX_xMEO2 , 1 )\n INDEX_xMECO3 = IOLD2NEW( INDEX_xMECO3 , 1 )\n INDEX_xRCO3 = IOLD2NEW( INDEX_xRCO3 , 1 )\n INDEX_xMACO3 = IOLD2NEW( INDEX_xMACO3 , 1 )\n INDEX_xTBUO = IOLD2NEW( INDEX_xTBUO , 1 )\n INDEX_xCO = IOLD2NEW( INDEX_xCO , 1 )\n INDEX_CCHO = IOLD2NEW( INDEX_CCHO , 1 )\n INDEX_RCHO = IOLD2NEW( INDEX_RCHO , 1 )\n INDEX_xHCHO = IOLD2NEW( INDEX_xHCHO , 1 )\n INDEX_MEK = IOLD2NEW( INDEX_MEK , 1 )\n INDEX_zRNO3 = IOLD2NEW( INDEX_zRNO3 , 1 )\n INDEX_xRCHO = IOLD2NEW( INDEX_xRCHO , 1 )\n INDEX_HCOOH = IOLD2NEW( INDEX_HCOOH , 1 )\n INDEX_xMGLY = IOLD2NEW( INDEX_xMGLY , 1 )\n INDEX_xBACL = IOLD2NEW( INDEX_xBACL , 1 )\n INDEX_ROOH = IOLD2NEW( INDEX_ROOH , 1 )\n INDEX_xPROD2 = IOLD2NEW( INDEX_xPROD2 , 1 )\n INDEX_R6OOH = IOLD2NEW( INDEX_R6OOH , 1 )\n INDEX_PRD2 = IOLD2NEW( INDEX_PRD2 , 1 )\n INDEX_yR6OOH = IOLD2NEW( INDEX_yR6OOH , 1 )\n INDEX_RAOOH = IOLD2NEW( INDEX_RAOOH , 1 )\n INDEX_MGLY = IOLD2NEW( INDEX_MGLY , 1 )\n INDEX_IPRD = IOLD2NEW( INDEX_IPRD , 1 )\n INDEX_xGLY = IOLD2NEW( INDEX_xGLY , 1 )\n INDEX_xMEK = IOLD2NEW( INDEX_xMEK , 1 )\n INDEX_xAFG1 = IOLD2NEW( INDEX_xAFG1 , 1 )\n INDEX_xAFG2 = IOLD2NEW( INDEX_xAFG2 , 1 )\n INDEX_GLY = IOLD2NEW( INDEX_GLY , 1 )\n INDEX_AFG1 = IOLD2NEW( INDEX_AFG1 , 1 )\n INDEX_AFG2 = IOLD2NEW( INDEX_AFG2 , 1 )\n INDEX_HCOCO3 = IOLD2NEW( INDEX_HCOCO3 , 1 )\n INDEX_BACL = IOLD2NEW( INDEX_BACL , 1 )\n INDEX_BALD = IOLD2NEW( INDEX_BALD , 1 )\n INDEX_AFG3 = IOLD2NEW( INDEX_AFG3 , 1 )\n INDEX_xIPRD = IOLD2NEW( INDEX_xIPRD , 1 )\n INDEX_MACR = IOLD2NEW( INDEX_MACR , 1 )\n INDEX_MVK = IOLD2NEW( INDEX_MVK , 1 )\n INDEX_xHOCCHO = IOLD2NEW( INDEX_xHOCCHO , 1 )\n INDEX_xRNO3 = IOLD2NEW( INDEX_xRNO3 , 1 )\n INDEX_HOCCHO = IOLD2NEW( INDEX_HOCCHO , 1 )\n INDEX_xACETONE = IOLD2NEW( INDEX_xACETONE , 1 )\n INDEX_ACROLEIN = IOLD2NEW( INDEX_ACROLEIN , 1 )\n INDEX_xBALD = IOLD2NEW( INDEX_xBALD , 1 )\n INDEX_xAFG3 = IOLD2NEW( INDEX_xAFG3 , 1 )\n INDEX_xMACR = IOLD2NEW( INDEX_xMACR , 1 )\n INDEX_xMVK = IOLD2NEW( INDEX_xMVK , 1 )\n INDEX_xMTNO3 = IOLD2NEW( INDEX_xMTNO3 , 1 )\n INDEX_MTNO3 = IOLD2NEW( INDEX_MTNO3 , 1 )\n INDEX_IMACO3 = IOLD2NEW( INDEX_IMACO3 , 1 )\n INDEX_yRAOOH = IOLD2NEW( INDEX_yRAOOH , 1 )\n INDEX_zMTNO3 = IOLD2NEW( INDEX_zMTNO3 , 1 )\n INDEX_xACROLEIN = IOLD2NEW( INDEX_xACROLEIN , 1 )\n INDEX_ETHENE = IOLD2NEW( INDEX_ETHENE , 1 )\n INDEX_PROPENE = IOLD2NEW( INDEX_PROPENE , 1 )\n INDEX_BUTADIENE13 = IOLD2NEW( INDEX_BUTADIENE13 , 1 )\n INDEX_ISOPRENE = IOLD2NEW( INDEX_ISOPRENE , 1 )\n INDEX_APIN = IOLD2NEW( INDEX_APIN , 1 )\n INDEX_TRPRXN = IOLD2NEW( INDEX_TRPRXN , 1 )\n INDEX_ACETYLENE = IOLD2NEW( INDEX_ACETYLENE , 1 )\n INDEX_BENZENE = IOLD2NEW( INDEX_BENZENE , 1 )\n INDEX_BENZRO2 = IOLD2NEW( INDEX_BENZRO2 , 1 )\n INDEX_TOLUENE = IOLD2NEW( INDEX_TOLUENE , 1 )\n INDEX_TOLRO2 = IOLD2NEW( INDEX_TOLRO2 , 1 )\n INDEX_MXYL = IOLD2NEW( INDEX_MXYL , 1 )\n INDEX_XYLRO2 = IOLD2NEW( INDEX_XYLRO2 , 1 )\n INDEX_OXYL = IOLD2NEW( INDEX_OXYL , 1 )\n INDEX_PXYL = IOLD2NEW( INDEX_PXYL , 1 )\n INDEX_TMBENZ124 = IOLD2NEW( INDEX_TMBENZ124 , 1 )\n INDEX_ETOH = IOLD2NEW( INDEX_ETOH , 1 )\n INDEX_ALK1 = IOLD2NEW( INDEX_ALK1 , 1 )\n INDEX_ALK2 = IOLD2NEW( INDEX_ALK2 , 1 )\n INDEX_ALK3 = IOLD2NEW( INDEX_ALK3 , 1 )\n INDEX_ALK4 = IOLD2NEW( INDEX_ALK4 , 1 )\n INDEX_ALK5 = IOLD2NEW( INDEX_ALK5 , 1 )\n INDEX_SOAALK = IOLD2NEW( INDEX_SOAALK , 1 )\n INDEX_SVAVB2 = IOLD2NEW( INDEX_SVAVB2 , 1 )\n INDEX_SVAVB3 = IOLD2NEW( INDEX_SVAVB3 , 1 )\n INDEX_SVAVB4 = IOLD2NEW( INDEX_SVAVB4 , 1 )\n INDEX_OLE1 = IOLD2NEW( INDEX_OLE1 , 1 )\n INDEX_OLE2 = IOLD2NEW( INDEX_OLE2 , 1 )\n INDEX_ARO1 = IOLD2NEW( INDEX_ARO1 , 1 )\n INDEX_ARO2MN = IOLD2NEW( INDEX_ARO2MN , 1 )\n INDEX_NAPHTHAL = IOLD2NEW( INDEX_NAPHTHAL , 1 )\n INDEX_PAHRO2 = IOLD2NEW( INDEX_PAHRO2 , 1 )\n INDEX_TERP = IOLD2NEW( INDEX_TERP , 1 )\n INDEX_TERPNRO2 = IOLD2NEW( INDEX_TERPNRO2 , 1 )\n INDEX_SESQ = IOLD2NEW( INDEX_SESQ , 1 )\n INDEX_SESQRXN = IOLD2NEW( INDEX_SESQRXN , 1 )\n INDEX_CL2 = IOLD2NEW( INDEX_CL2 , 1 )\n INDEX_CL = IOLD2NEW( INDEX_CL , 1 )\n INDEX_CLNO = IOLD2NEW( INDEX_CLNO , 1 )\n INDEX_CLONO = IOLD2NEW( INDEX_CLONO , 1 )\n INDEX_CLNO2 = IOLD2NEW( INDEX_CLNO2 , 1 )\n INDEX_HCL = IOLD2NEW( INDEX_HCL , 1 )\n INDEX_CLO = IOLD2NEW( INDEX_CLO , 1 )\n INDEX_CLONO2 = IOLD2NEW( INDEX_CLONO2 , 1 )\n INDEX_HOCL = IOLD2NEW( INDEX_HOCL , 1 )\n INDEX_xCL = IOLD2NEW( INDEX_xCL , 1 )\n INDEX_xCLCCHO = IOLD2NEW( INDEX_xCLCCHO , 1 )\n INDEX_xCLACET = IOLD2NEW( INDEX_xCLACET , 1 )\n INDEX_CLCCHO = IOLD2NEW( INDEX_CLCCHO , 1 )\n INDEX_CLACET = IOLD2NEW( INDEX_CLACET , 1 )\n INDEX_CLCHO = IOLD2NEW( INDEX_CLCHO , 1 )\n INDEX_SVAVB1 = IOLD2NEW( INDEX_SVAVB1 , 1 )\n INDEX_HCHO_PRIMARY = IOLD2NEW( INDEX_HCHO_PRIMARY, 1 )\n INDEX_CCHO_PRIMARY = IOLD2NEW( INDEX_CCHO_PRIMARY, 1 )\n INDEX_ACRO_PRIMARY = IOLD2NEW( INDEX_ACRO_PRIMARY, 1 )\n INDEX_ISOPO2 = IOLD2NEW( INDEX_ISOPO2 , 1 )\n INDEX_ISOPRXN = IOLD2NEW( INDEX_ISOPRXN , 1 )\n INDEX_ISOPND = IOLD2NEW( INDEX_ISOPND , 1 )\n INDEX_ISOPNB = IOLD2NEW( INDEX_ISOPNB , 1 )\n INDEX_HC5 = IOLD2NEW( INDEX_HC5 , 1 )\n INDEX_DIBOO = IOLD2NEW( INDEX_DIBOO , 1 )\n INDEX_ISOPOOH = IOLD2NEW( INDEX_ISOPOOH , 1 )\n INDEX_HPALD = IOLD2NEW( INDEX_HPALD , 1 )\n INDEX_HACET = IOLD2NEW( INDEX_HACET , 1 )\n INDEX_NISOPO2 = IOLD2NEW( INDEX_NISOPO2 , 1 )\n INDEX_NIT1 = IOLD2NEW( INDEX_NIT1 , 1 )\n INDEX_NISOPOOH = IOLD2NEW( INDEX_NISOPOOH , 1 )\n INDEX_HC5OO = IOLD2NEW( INDEX_HC5OO , 1 )\n INDEX_DHMOB = IOLD2NEW( INDEX_DHMOB , 1 )\n INDEX_ISOPNOOD = IOLD2NEW( INDEX_ISOPNOOD , 1 )\n INDEX_PROPNN = IOLD2NEW( INDEX_PROPNN , 1 )\n INDEX_MVKN = IOLD2NEW( INDEX_MVKN , 1 )\n INDEX_ETHLN = IOLD2NEW( INDEX_ETHLN , 1 )\n INDEX_RNO3I = IOLD2NEW( INDEX_RNO3I , 1 )\n INDEX_ISOPNOOB = IOLD2NEW( INDEX_ISOPNOOB , 1 )\n INDEX_MACRN = IOLD2NEW( INDEX_MACRN , 1 )\n INDEX_NIT1NO3OOA = IOLD2NEW( INDEX_NIT1NO3OOA , 1 )\n INDEX_NIT1NO3OOB = IOLD2NEW( INDEX_NIT1NO3OOB , 1 )\n INDEX_ISOPNN = IOLD2NEW( INDEX_ISOPNN , 1 )\n INDEX_NIT1OHOO = IOLD2NEW( INDEX_NIT1OHOO , 1 )\n INDEX_MVKOO = IOLD2NEW( INDEX_MVKOO , 1 )\n INDEX_MACROO = IOLD2NEW( INDEX_MACROO , 1 )\n INDEX_PYRUACD = IOLD2NEW( INDEX_PYRUACD , 1 )\n INDEX_IEPOX = IOLD2NEW( INDEX_IEPOX , 1 )\n INDEX_IEPOXOO = IOLD2NEW( INDEX_IEPOXOO , 1 )\n INDEX_IMPAA = IOLD2NEW( INDEX_IMPAA , 1 )\n INDEX_IMAPAN = IOLD2NEW( INDEX_IMAPAN , 1 )\n INDEX_IMAE = IOLD2NEW( INDEX_IMAE , 1 )\n INDEX_IHMML = IOLD2NEW( INDEX_IHMML , 1 )\n INDEX_H2NO3PIJ = IOLD2NEW( INDEX_H2NO3PIJ , 1 )\n INDEX_H2NO3PK = IOLD2NEW( INDEX_H2NO3PK , 1 )\n INDEX_ACLI = IOLD2NEW( INDEX_ACLI , 1 )\n INDEX_ACLJ = IOLD2NEW( INDEX_ACLJ , 1 )\n INDEX_ACLK = IOLD2NEW( INDEX_ACLK , 1 )\n INDEX_IEPOXP = IOLD2NEW( INDEX_IEPOXP , 1 )\n INDEX_IMAEP = IOLD2NEW( INDEX_IMAEP , 1 )\n INDEX_IHMMLP = IOLD2NEW( INDEX_IHMMLP , 1 )\n INDEX_AIETETJ = IOLD2NEW( INDEX_AIETETJ , 1 )\n INDEX_ASO4J = IOLD2NEW( INDEX_ASO4J , 1 )\n INDEX_AIEOSJ = IOLD2NEW( INDEX_AIEOSJ , 1 )\n INDEX_ADIMJ = IOLD2NEW( INDEX_ADIMJ , 1 )\n INDEX_AIMGAJ = IOLD2NEW( INDEX_AIMGAJ , 1 )\n INDEX_AIMOSJ = IOLD2NEW( INDEX_AIMOSJ , 1 )\n INDEX_AISO1J = IOLD2NEW( INDEX_AISO1J , 1 )\n INDEX_AOLGBJ = IOLD2NEW( INDEX_AOLGBJ , 1 )\n INDEX_AISO2J = IOLD2NEW( INDEX_AISO2J , 1 )\n INDEX_ASQTJ = IOLD2NEW( INDEX_ASQTJ , 1 )\n INDEX_AAVB2J = IOLD2NEW( INDEX_AAVB2J , 1 )\n INDEX_AOLGAJ = IOLD2NEW( INDEX_AOLGAJ , 1 )\n INDEX_AAVB3J = IOLD2NEW( INDEX_AAVB3J , 1 )\n INDEX_AAVB4J = IOLD2NEW( INDEX_AAVB4J , 1 )\n INDEX_APOCI = IOLD2NEW( INDEX_APOCI , 1 )\n INDEX_APNCOMI = IOLD2NEW( INDEX_APNCOMI , 1 )\n INDEX_APOCJ = IOLD2NEW( INDEX_APOCJ , 1 )\n INDEX_APNCOMJ = IOLD2NEW( INDEX_APNCOMJ , 1 )\n INDEX_PCVOC = IOLD2NEW( INDEX_PCVOC , 1 )\n INDEX_PCSOARXN = IOLD2NEW( INDEX_PCSOARXN , 1 )\n INDEX_VLVPO1 = IOLD2NEW( INDEX_VLVPO1 , 1 )\n INDEX_VSVPO1 = IOLD2NEW( INDEX_VSVPO1 , 1 )\n INDEX_VSVPO2 = IOLD2NEW( INDEX_VSVPO2 , 1 )\n INDEX_VSVPO3 = IOLD2NEW( INDEX_VSVPO3 , 1 )\n INDEX_VIVPO1 = IOLD2NEW( INDEX_VIVPO1 , 1 )\n INDEX_VLVOO1 = IOLD2NEW( INDEX_VLVOO1 , 1 )\n INDEX_VLVOO2 = IOLD2NEW( INDEX_VLVOO2 , 1 )\n INDEX_VSVOO2 = IOLD2NEW( INDEX_VSVOO2 , 1 )\n INDEX_VSVOO3 = IOLD2NEW( INDEX_VSVOO3 , 1 )\n INDEX_VSVOO1 = IOLD2NEW( INDEX_VSVOO1 , 1 )\n INDEX_AMTNO3J = IOLD2NEW( INDEX_AMTNO3J , 1 )\n INDEX_AMTHYDJ = IOLD2NEW( INDEX_AMTHYDJ , 1 )\n INDEX_AISOPNNJ = IOLD2NEW( INDEX_AISOPNNJ , 1 )\n INDEX_AGLYJ = IOLD2NEW( INDEX_AGLYJ , 1 )\n END SUBROUTINE RESET_SPECIES_POINTERS\n END MODULE RXNS_FUNCTION\n" }, { "path": "CCTM/src/MECHS/saprc07tic_ae7i_aq/SpecDef_Dep_saprc07tic_ae7i_aq.txt", "content": "!#start 2005001\n!#end 2005032\n#layer 1\n/ File [1]: DRYDEP\n/ File [2]: WETDEP\n/ File [3]: METCRO2D\n/\n/new species ,units ,expression\n\n!! Gas Deposition\nDDEP_NO2 ,kg ha-1 ,NO2[1]\nWDEP_NO2 ,kg ha-1 ,NO2[2]\nDDEP_NO ,kg ha-1 ,NO[1]\nWDEP_NO ,kg ha-1 ,NO[2]\nDDEP_NO3 ,kg ha-1 ,NO3[1]\nWDEP_NO3 ,kg ha-1 ,NO3[2]\nDDEP_FORM ,kg ha-1 ,HCHO[1]\nWDEP_FORM ,kg ha-1 ,HCHO[2]\nDDEP_H2O2 ,kg ha-1 ,HO2H[1]\nWDEP_H2O2 ,kg ha-1 ,HO2H[2]\nDDEP_N2O5 ,kg ha-1 ,N2O5[1]\nWDEP_N2O5 ,kg ha-1 ,N2O5[2]\nDDEP_HONO ,kg ha-1 ,HONO[1]\nWDEP_HONO ,kg ha-1 ,HONO[2]\nDDEP_HNO3 ,kg ha-1 ,HNO3[1]\nWDEP_HNO3 ,kg ha-1 ,HNO3[2]\nDDEP_NTR ,kg ha-1 ,ISOPND[1]+ISOPNB[1]+NIT1[1]+NISOPOOH[1]+MVKN[1] \\\n +MACRN[1]+ETHLN[1]+RNO3I[1]+PROPNN[1]+ISOPNN[1] \\\n +RNO3[1]+MTNO3[1]\nWDEP_NTR ,kg ha-1 ,ISOPND[2]+ISOPNB[2]+NIT1[2]+NISOPOOH[2]+MVKN[2] \\\n +MACRN[2]+ETHLN[2]+RNO3I[2]+PROPNN[2]+ISOPNN[2] \\\n +RNO3[2]+MTNO3[2]\nDDEP_PANT ,kg ha-1 ,PAN[1]+PAN2[1]+PBZN[1]+MAPAN[1]+IMAPAN[1]\nWDEP_PANT ,kg ha-1 ,PAN[2]+PAN2[2]+PBZN[2]+MAPAN[2]+IMAPAN[2]\nDDEP_NH3 ,kg ha-1 ,NH3[1]\nWDEP_NH3 ,kg ha-1 ,NH3[2]\nDDEP_SO2 ,kg ha-1 ,SO2[1]\nDDEP_O3 ,kg ha-1 ,O3[1]\nWDEP_O3 ,kg ha-1 ,O3[2]\n\n!! Aerosol Deposition\nDDEP_ANO3IJ ,kg ha-1 ,ANO3I[1] + ANO3J[1]\nDDEP_ANO3K ,kg ha-1 ,ANO3K[1]\nWDEP_ANO3IJK ,kg ha-1 ,ANO3I[2] + ANO3J[2] + ANO3K[2]\nDDEP_TNO3 ,kg ha-1 ,ANO3I[1] + ANO3J[1] + ANO3K[1] + 0.984*HNO3[1] + NO3[1]\nWDEP_TNO3 ,kg ha-1 ,ANO3I[2] + ANO3J[2] + ANO3K[2] + 0.984*HNO3[2] + NO3[2]\nDDEP_ANH4IJ ,kg ha-1 ,ANH4I[1] + ANH4J[1]\nDDEP_ANH4K ,kg ha-1 ,ANH4K[1]\nWDEP_ANH4IJK ,kg ha-1 ,ANH4I[2] + ANH4J[2] + ANH4K[2]\nDDEP_ASO4IJ ,kg ha-1 ,ASO4I[1] + ASO4J[1]\nDDEP_ASO4K ,kg ha-1 ,ASO4K[1]\nWDEP_ASO4IJK ,kg ha-1 ,ASO4I[2] + ASO4J[2] + ASO4K[2]\nDDEP_AECIJ ,kg ha-1 ,AECI[1] +AECJ[1]\nDDEP_POCIJ ,kgC ha-1 , ALVPO1I[1]/1.39 + ASVPO1I[1]/1.32 + ASVPO2I[1]/1.26 \\\n +ALVPO1J[1]/1.39 + ASVPO1J[1]/1.32 + ASVPO2J[1]/1.26 \\\n +ASVPO3J[1]/1.21 + AIVPO1J[1]/1.17\nDDEP_SOCIJ ,kgC ha-1 ,ALVOO1I[1]/2.27 + ALVOO2I[1]/2.06 \\\n +ASVOO1I[1]/1.88 + ASVOO2I[1]/1.73 \\\n +AISO1J[1]/2.20 + AISO2J[1]/2.23 + AISO3J[1]/2.80 \\\n +ASQTJ[1]/1.52 + AORGCJ[1]/2.00 \\\n +AOLGBJ[1]/2.10 + AOLGAJ[1]/2.50 \\\n +ALVOO1J[1]/2.27+ ALVOO2J[1]/2.06+ ASVOO1J[1]/1.88 \\\n +ASVOO2J[1]/1.73+ ASVOO3J[1]/1.60 \\\n +AAVB1J[1]/2.70 + AAVB2J[1]/2.35 + AAVB3J[1]/2.17 \\\n +AAVB4J[1]/1.99 + APCSOJ[1] /2.00 \\\n +AIETETJ[1]/2.27 + AIEOSJ[1]/3.6 + ADIMJ[1]/2.07 \\\n +AIMGAJ[1]/2.5 + AIMOSJ[1]/4.17 \\\n +AMT1J[1]/1.67 + AMT2J[1]/1.67 + AMT3J[1]/1.72 \\\n +AMT4J[1]/1.53 + AMT5J[1]/1.57 + AMT6J[1]/1.40 \\\n +AMTNO3J[1]/1.9 + AISOPNNJ[1]/3.8 + AMTHYDJ[1]/1.54 \\\n +AGLYJ[1]/2.13\n\nDDEP_AOCIJ ,kgC ha-1 , DDEP_APOCIJ[0]+DDEP_SOCIJ[0]\n\n! Sodium\nDDEP_ANAJ ,kg ha-1 ,ANAJ[1]\nDDEP_ANAK ,kg ha-1 ,0.8373*ASEACAT[1]+0.0626*ASOIL[1]+0.0023*ACORS[1]\nDDEP_ANAJK ,kg ha-1 ,DDEP_ANAJ[0] + DDEP_ANAK[0]\nWDEP_ANAK ,kg ha-1 ,0.8373*ASEACAT[2]+0.0626*ASOIL[2]+0.0023*ACORS[2]\nWDEP_ANAJK ,kg ha-1 ,ANAJ[2] + WDEP_ANAK[0]\nTDEP_ANAJK ,kg ha-1 ,DDEP_ANAJK[0] + WDEP_ANAJK[0]\n\nDDEP_SSSO4J ,kg ha-1 ,0.2514*ANAJ[1]\nDDEP_SSSO4K ,kg ha-1 ,0.2514*DDEP_ANAK[0]\nWDEP_SSSO4JK ,kg ha-1 ,0.2514*ANAJ[2] + 0.2514*WDEP_ANAK[0]\n\n!! Gas + Aerosol Deposition\nDDEP_NHX ,kg ha-1 ,ANH4I[1] + ANH4J[1] + ANH4K[1] + 1.059*NH3[1]\nWDEP_NHX ,kg ha-1 ,ANH4I[2] + ANH4J[2] + ANH4K[2] + 1.059*NH3[2]\nWDEP_TSO4 ,kg ha-1 ,ASO4I[2] + ASO4J[2] + ASO4K[2] + 1.5*SO2[2]\n\n!Chloride\nDDEP_ACLJ ,kg ha-1 ,ACLJ[1]\nDDEP_ACLK ,kg ha-1 ,ACLK[1]\nDDEP_ACLJK ,kg ha-1 ,ACLJ[1] + ACLK[1]\nWDEP_TCL ,kg ha-1 ,0.972*HCL[2]+0.435*CLNO2[2] + ACLJ[2] + ACLK[2]\nTDEP_CL ,kg ha-1 ,DDEP_ACLJK[0] + WDEP_TCL[0]\n\n! Calcium\nDDEP_CAJ ,kg ha-1 ,ACAJ[1]\nWDEP_CAJ ,kg ha-1 ,ACAJ[2]\nDDEP_CAK ,kg ha-1 ,0.0320*ASEACAT[1]+0.0838*ASOIL[1]+0.0562*ACORS[1]\nWDEP_CAK ,kg ha-1 ,0.0320*ASEACAT[2]+0.0838*ASOIL[2]+0.0562*ACORS[2]\nDDEP_CAJK ,kg ha-1 ,ACAJ[1]+DDEP_CAK[0]\nWDEP_CAJK ,kg ha-1 ,ACAJ[2]+WDEP_CAK[0]\n\n! Iron\nDDEP_FEJ ,kg ha-1 ,AFEJ[1]\nWDEP_FEJ ,kg ha-1 ,AFEJ[2]\n\n! Aluminum\nDDEP_ALJ ,kg ha-1 ,AALJ[1]\nWDEP_ALJ ,kg ha-1 ,AALJ[2]\n\n! Silicon\nDDEP_SIJ ,kg ha-1 ,ASIJ[1]\nWDEP_SIJ ,kg ha-1 ,ASIJ[2]\n\n! Titanium\nDDEP_TIJ ,kg ha-1 ,ATIJ[1]\nWDEP_TIJ ,kg ha-1 ,ATIJ[2]\n\n! Magnesium\nDDEP_MGJ ,kg ha-1 ,AMGJ[1]\nWDEP_MGJ ,kg ha-1 ,AMGJ[2]\nDDEP_MGK ,kg ha-1 ,0.0997*ASEACAT[1]+0.0170*ASOIL[1]+0.0032*ACORS[1]\nWDEP_MGK ,kg ha-1 ,0.0997*ASEACAT[2]+0.0170*ASOIL[2]+0.0032*ACORS[2]\nDDEP_MGJK ,kg ha-1 ,AMGJ[1]+DDEP_MGK[0]\nWDEP_MGJK ,kg ha-1 ,AMGJ[2]+WDEP_MGK[0]\n\n! Potassium\nDDEP_KJ ,kg ha-1 ,AKJ[1]\nWDEP_KJ ,kg ha-1 ,AKJ[2]\nDDEP_AKK ,kg ha-1 ,0.0310*ASEACAT[1]+0.0242*ASOIL[1]+0.0176*ACORS[1]\nWDEP_AKK ,kg ha-1 ,0.0310*ASEACAT[2]+0.0242*ASOIL[2]+0.0176*ACORS[2]\nDDEP_KJK ,kg ha-1 ,AKJ[1]+DDEP_AKK[0]\nWDEP_KJK ,kg ha-1 ,AKJ[2]+WDEP_AKK[0]\n\n! Manganese\nDDEP_MNJ ,kg ha-1 ,AMNJ[1]\nWDEP_MNJ ,kg ha-1 ,AMNJ[2]\n\nWDEP_PNA ,kg ha-1 ,HNO4[2]\nDDEP_PNA ,kg ha-1 ,HNO4[1]\nRT ,cm ,RC[3]>=0 ? RN[3]+RC[3] : RN[3]\n\n! Nitrogen Deposition\nDD_OXN_NOX ,kgN ha-1 ,0.30435*NO2[1] + 0.46667*NO[1]\nWD_OXN_NOX ,kgN ha-1 ,0.30435*NO2[2] + 0.46667*NO[2]\nDD_OXN_TNO3 ,kgN ha-1 ,0.22581*DDEP_TNO3[0]\nWD_OXN_TNO3 ,kgN ha-1 ,0.22581*WDEP_TNO3[0]\nDD_OXN_PANT ,kgN ha-1 ,0.11570*DDEP_PANT[0] \nWD_OXN_PANT ,kgN ha-1 ,0.11570*WDEP_PANT[0]\nDD_OXN_ORGN ,kgN ha-1 ,0.10770*(DDEP_NTR[0])+0.10770*ISOPNN[1] + DD_OXN_PANT[0]\nWD_OXN_ORGN ,kgN ha-1 ,0.10770*(WDEP_NTR[0])+0.10770*ISOPNN[2] + WD_OXN_PANT[0]\nDD_OXN_OTHR ,kgN ha-1 ,0.25926*N2O5[1] + 0.29787*HONO[1]+0.17720*HNO4[2]+0.1717*CLNO2[2] \nWD_OXN_OTHR ,kgN ha-1 ,0.25926*N2O5[2] + 0.29787*HONO[2]+0.17720*HNO4[2]+0.1717*CLNO2[2]\nDD_OXN_TOT ,kgN ha-1 ,DD_OXN_NOX[0] + DD_OXN_TNO3[0] + DD_OXN_ORGN[0] + DD_OXN_OTHR[0]\nWD_OXN_TOT ,kgN ha-1 ,WD_OXN_NOX[0] + WD_OXN_TNO3[0] + WD_OXN_ORGN[0] + WD_OXN_OTHR[0]\nTD_OXN_TOT ,kgN ha-1 ,DD_OXN_TOT[0] + WD_OXN_TOT[0]\nDD_OXN_TOTMEQ ,meqN m-2 ,7.14*DD_OXN_TOT[0]\nWD_OXN_TOTMEQ ,meqN m-2 ,7.14*WD_OXN_TOT[0]\nTD_OXN_TOTMEQ ,meqN m-2 ,DD_OXN_TOTMEQ[0] + WD_OXN_TOTMEQ[0]\nDD_REDN_TOT ,kgN ha-1 ,0.7777*DDEP_NHX[0]\nWD_REDN_TOT ,kgN ha-1 ,0.7777*WDEP_NHX[0]\nTD_REDN_TOT ,kgN ha-1 ,DD_REDN_TOT[0] + WD_REDN_TOT[0]\nDD_REDN_TOTMEQ ,meqN m-2 ,7.14*DD_REDN_TOT[0]\nWD_REDN_TOTMEQ ,meqN m-2 ,7.14*WD_REDN_TOT[0]\nTD_REDN_TOTMEQ ,meqN m-2 ,DD_REDN_TOTMEQ[0] + WD_REDN_TOTMEQ[0]\n\nDD_N_TOT ,kgN ha-1 ,DD_OXN_TOT[0] + DD_REDN_TOT[0]\nWD_N_TOT ,kgN ha-1 ,WD_OXN_TOT[0] + WD_REDN_TOT[0]\nTD_N_TOT ,kgN ha-1 ,DD_N_TOT[0] + WD_N_TOT[0]\n\nDD_N_TOTMEQ ,meqN m-2 ,DD_OXN_TOTMEQ[0] + DD_REDN_TOTMEQ[0]\nWD_N_TOTMEQ ,meqN m-2 ,WD_OXN_TOTMEQ[0] + WD_REDN_TOTMEQ[0]\nTD_N_TOTMEQ ,meqN m-2 ,DD_N_TOTMEQ[0] + WD_N_TOTMEQ[0]\n\n! Sulfur Deposition\nDD_S_TOT ,kgS ha-1 ,0.5*SO2[1] + 0.33333*ASO4I[1] + 0.33333*ASO4J[1] + 0.33333*ASO4K[1]\nWD_S_TOT ,kgS ha-1 ,0.33333*WDEP_TSO4[0]\nTD_S_TOT ,kgS ha-1 ,DD_S_TOT[0] + WD_S_TOT[0]\nDD_S_TOTMEQ ,meqS m-2 ,6.24*DD_S_TOT[0]\nWD_S_TOTMEQ ,meqS m-2 ,6.24*WD_S_TOT[0]\nTD_S_TOTMEQ ,meqS m-2 ,DD_S_TOTMEQ[0] + WD_S_TOTMEQ[0]\nDD_S_SeaS ,kgS ha-1 ,0.33333*DDEP_SSSO4J[0] + 0.33333*DDEP_SSSO4K[0]\nWD_S_SeaS ,kgS ha-1 ,0.33333*WDEP_SSSO4JK[0]\nTD_S_SeaS ,kgS ha-1 ,DD_S_SeaS[0] + WD_S_SeaS[0]\nDD_S_SeaSMEQ ,meqS m-2 ,6.24*DD_S_SeaS[0]\nWD_S_SeaSMEQ ,meqS m-2 ,6.24*WD_S_SeaS[0]\nTD_S_SeaSMEQ ,meqS m-2 ,DD_S_SeaSMEQ[0] + WD_S_SeaSMEQ[0]\n" }, { "path": "CCTM/src/MECHS/saprc07tic_ae7i_aq/SpecDef_saprc07tic_ae7i_aq.txt", "content": "!#start YYYYJJJ 010000\n!#end YYYYJJJ 000000\n#layer 1\n\n/\n! This Species Definition File is for Use with the COMBINE tool built for \n! post-processing CMAQ output. It is compatible with CMAQv5.2.\n! Date: May 12 2017\n\n! Output variables that begin with 'PM' represent those in which a size cut was \n! applied based on modeled aerosol mode parameters. For example, PM25_NA is all \n! sodium that falls below 2.5 um diameter. These 'PM' variables are used for \n! comparisons at IMPROVE and CSN sites.\n\n! Output variables that begin with 'PMAMS' represent the mass that would have\n! been detected by an Aerosol Mass Spectrometer.\n\n! Output variables beginning with 'A' (aside from AIR_DENS) represent a \n! combination of aerosol species in which no size cut was applied. For example, \n! ASO4IJ is the sum of i-mode and j-mode sulfate. These 'A' variables are used \n! for comparisons at CASTNet sites.\n\n! Output variables beginning with 'PMC' refer to the coarse fraction of total PM,\n! computed by summing all modes and subtracting the PM2.5 fraction. These 'PMC'\n! variables are used for comparisons at SEARCH sites.\n\n! This Species Definition File is just for use with the uncoupled, offline CMAQ,\n! model. If you are processing WRF-CMAQ results, a different Species Definition\n! file is required.\n\n/ File [1]: CMAQ conc/aconc file\n/ File [2]: METCRO3D file\n/ File [3]: ELMO/AELMO file\n/ File [4]: METCRO2D file\n/\n/new species ,units ,expression\n \n!-------------------------------------------!\n!------------- Meteorology -----------------!\n!-------------------------------------------!\nAIR_DENS ,kg m-3 ,DENS[2]\nRH ,% ,100.00*RH[3]\nSFC_TMP ,C ,(TEMP2[4]-273.15)\nPBLH ,m ,PBL[4]\nSOL_RAD ,W m-2 ,RGRND[4]\nprecip ,cm ,RC[4]>=0 ? RN[4]+RC[4] : RN[4]\nWSPD10 ,m s-1 ,WSPD10[4]\nWDIR10 ,deg ,WDIR10[4]\n\n!-------------------------------------------!\n!--------------- Gases ---------------------!\n!-------------------------------------------!\nBENZENE ,ppbV ,1000.0*BENZENE[1]\nCO ,ppbV ,1000.0*CO[1]\nETH ,ppbV ,1000.0*ETHENE[1]\nETHA ,ppbV ,1000.0*ALK1[1]\nFORM ,ppbV ,1000.0*HCHO[1]\nH2O2 ,ppbV ,1000.0*HO2H[1]\nHNO3 ,ppbV ,1000.0*HNO3[1]\nHNO3_UGM3 ,ug m-3 ,1000.0*(HNO3[1]*2.1756*DENS[2])\nHONO ,ppbV ,1000.0*HONO[1]\nHOX ,ppbV ,1000.0*(OH[1]+HO2[1])\nOH ,ppbV ,1000.0*(OH[1])\nISOP ,ppbV ,1000.0*ISOPRENE[1]\nN2O5 ,ppbV ,1000.0*N2O5[1]\nNH3 ,ppbV ,1000.0*NH3[1]\nNH3_UGM3 ,ug m-3 ,1000.0*(NH3[1]*0.5880*DENS[2])\nNHX ,ug m-3 ,1000.0*(NH3[1]*0.5880*DENS[2])+ANH4I[1]+ANH4J[1]+ANH4K[1]\nNO ,ppbV ,1000.0*NO[1]\nNO2 ,ppbV ,1000.0*NO2[1]\nNOX ,ppbV ,1000.0*(NO[1]+NO2[1])\nANO3INORG_PPB\t,ppbV\t ,(ANO3I[1]+ANO3J[1]+ANO3K[1])/(DENS[2]*(62.0/28.97))\nAORGNO3_PPB ,ppbV ,(AMTNO3J[1]/231.0+AISOPNNJ[1]*2.0/226.0)/(DENS[2]/28.97) \nANO3_PPB ,ppbV ,ANO3INORG_PPB[0]+AORGNO3_PPB[0]\nISOPNTOT ,ppbV ,1000.0*(ISOPND[1]+ISOPNB[1]+NIT1[1]+NISOPOOH[1]+MVKN[1] \\\n +MACRN[1]+ETHLN[1]+RNO3I[1]+PROPNN[1]+2.0*ISOPNN[1])\nANTOT ,ppbv ,ISOPNTOT[0]+(RNO3[1]+MTNO3[1])*1000.0\nNTR ,ppbV ,ISOPNTOT[0]+1000.0*(RNO3[1]+MTNO3[1])\nCLNTOT ,ppbv ,1000.0*(CLNO[1]+CLONO[1]+CLNO2[1]+CLONO2[1])\nPANTOT ,ppbV ,1000.0*(PAN[1]+PAN2[1]+PBZN[1]+MAPAN[1]+IMAPAN[1])\nNOY_NOPM ,ppbV ,1000.0*(NO[1]+NO2[1]+NO3[1]+2*N2O5[1]+HONO[1]+HNO3[1]+HNO4[1])+ANTOT[0]+PANTOT[0]+CLNTOT[0]\nNOY ,ppbV ,NOY_NOPM[0]+ANO3_PPB[0]\nO3 ,ppbV ,1000.0*O3[1]\nSO2 ,ppbV ,1000.0*SO2[1]\nSO2_UGM3 ,ug m-3 ,1000.0*(SO2[1]*2.2118*DENS[2])\nTERPTOT ,ppbV ,1000.0*(TERP[1]+APIN[1])\nAPIN ,ppbV ,1000.0*APIN[1]\nTOL ,ppbV ,1000.0*TOLUENE[1]\nXYL ,ppbV ,1000.0*(MXYL[1]+OXYL[1]+PXYL[1]) \nALK ,ppbC ,1000.*(2.*ALK1[1]+3.*ALK2[1]+4.*ALK3[1]+5.*ALK4[1]+8.*ALK5[1])\n\n!! Unused Gases. Presented Here for illustration. Users can uncomment\n!! them if they choose. \n!ALDX ,ppbV ,1000.0*ALDX[1] \n!HCHO ,ppbV ,1000.0*HCHO[1]\n!CLNO2 ,ppbV ,1000.0*CLNO2[1]\n!CLNTOT ,ppbv ,1000.0*(CLNO[1]+CLONO[1]+CLNO2[1]+CLONO2[1])\n!PAN ,ppbV ,1000.0*PAN[1]\n!PANX ,ppbV ,1000.0*PAN2[1]\n!PANTOT ,ppbV ,1000.0*(PAN[1]+PAN2[1]+PBZN[1]+MAPAN[1]+IMAPAN[1])\n!SULF ,ppbV ,1000.0*SULF[1]\n!ACIDS ,ppbC ,1000.*(3.*RCOOH[1]+2.*CCOOH[1]+HCOOH[1])\n!VOC ,ppbC ,1000.*(3.*ACETONE[1]+2.*ACETYLENE[1]+3.*ACROLEIN[1]+ \\\n! 4.*BACL[1]+4.*BUTADIENE13[1]+2.*CCHO[1]+7.*CRES[1]+ \\\n! 2.*ETHENE[1]+2.*ETOH[1]+2*GLY[1]+HCHO[1]+4.*MEK[1]+ \\\n! MEOH[1]+3.*MGLY[1]+4.*MVK[1]+5.*OLE1[1]+5.*OLE2[1]+ \\\n! 6.*PRD2[1]+3.*PROPENE[1]+3.*RCHO[1]+6.0*RNO3[1])+ \\\n! BIOG[0]+AROM[0]+ALK[0]+ACIDS[0]\n\n!-------------------------------------------!\n!--------------- Particles -----------------!\n!-------------------------------------------! \n!! Crustal Elements\nAFEJ ,ug m-3 ,AFEJ[1]\nAALJ ,ug m-3 ,AALJ[1]\nASIJ ,ug m-3 ,ASIJ[1]\nATIJ ,ug m-3 ,ATIJ[1]\nACAJ ,ug m-3 ,ACAJ[1]\nAMGJ ,ug m-3 ,AMGJ[1]\nAKJ ,ug m-3 ,AKJ[1]\nAMNJ ,ug m-3 ,AMNJ[1]\nASOILJ ,ug m-3 ,2.20*AALJ[1]+2.49*ASIJ[1]+1.63*ACAJ[1]+2.42*AFEJ[1]+1.94*ATIJ[1]\n\n!! Non-Crustal Inorganic Particle Species\nAHPLUSIJ ,umol m-3 ,PMF_HP[3]\nANAK ,ug m-3 ,PMC_NA[3]\nAMGK ,ug m-3 ,PMC_MG[3]\nAKK ,ug m-3 ,PMC_K[3]\nACAK ,ug m-3 ,PMC_CA[3]\nACLIJ ,ug m-3 ,PMF_CL[3]\nAECIJ ,ug m-3 ,PMF_EC[3]\nANAIJ ,ug m-3 ,PMF_NA[3]\nANO3IJ ,ug m-3 ,PMF_NO3[3]\nANO3K ,ug m-3 ,PMC_NO3[3]\nANH4IJ ,ug m-3 ,PMF_NH4[3]\nANH4K ,ug m-3 ,PMC_NH4[3]\nASO4IJ ,ug m-3 ,PMF_SO4[3]\nASO4K ,ug m-3 ,PMC_SO4[3]\nTNO3INORG ,ug m-3 ,TNO3[3]\nTNO3TOT ,ug m-3 ,TNO3TOT[3]\n\n!! Organic Particle Species\nAPOCIJ ,ugC m-3 ,PMF_POC[3]\nAPOMIJ ,ug m-3 ,PMF_POA[3]\nASOCIJ ,ugC m-3 ,PMF_SOC[3]\nASOMIJ ,ug m-3 ,PMF_SOA[3]\nAOCIJ ,ugC m-3 ,PMF_OC[3]\nAOMIJ ,ug m-3 ,PMF_OA[3]\n\n!!! Anthropogenic-VOC Derived Organic Aerosol\nAORGAJ ,ug m-3 ,PMF_ASOA[3]\n\n!!! Biogenic-VOC Derived Organic Aerosol\nAORGBJ ,ug m-3 ,PMF_BSOA[3]\n!Note to User: AGLY is assigned here to the Biogenic OA category. This will be true in\n! isoprene dominated areas, but in urban areas, glyoxal emissions are likely\n! anthropogenic.\n\n!!! Cloud-Processed SOA\nAORGCJ ,ug m-3 ,AORGCJ[1]\n\n!!! OM/OC ratios\nAOMOCRAT_TOT , ,PMF_OMOC[3]\n\n!! Total PM Aggregates\nATOTI ,ug m-3 ,PMAIT_MASS[3]\nATOTJ ,ug m-3 ,PMACC_MASS[3]\nATOTK ,ug m-3 ,PMC_MASS[3]\nATOTIJ ,ug m-3 ,PMF_MASS[3]\nATOTIJK ,ug m-3 ,PM_MASS[3]\n\n!! Unspeciated PM including non-carbon organic mass\nAUNSPEC1IJ ,ug m-3 ,PMF_UN_IMPV1[3]\n!! Non-Carbon Organic Mass\nANCOMIJ ,ug m-3 ,PMF_NCOM[3]\n\n!! Unspeciated PM excluding non-carbon organic mass\nAUNSPEC2IJ ,ug m-3 ,PMF_UN_IMPV2[3]\n\n!! AMS Projection of Output Concentrations\nPMAMS_CL ,ug m-3 ,PMAMS_CL[3]\nPMAMS_NH4 ,ug m-3 ,PMAMS_NH4[3]\nPMAMS_NO3 ,ug m-3 ,PMAMS_NO3[3]\nPMAMS_OA ,ug m-3 ,PMAMS_OA[3]\nPMAMS_SO4 ,ug m-3 ,PMAMS_SO4[3]\n\n!! PM1 Cutoff Output\nPM1_TOT ,ug m-3 ,PM1[3]\n\n!! Unused PM1 Species. Included Here for demonstration\n!PM1_EC ,ug m-3 ,PM1_EC[3]\n!PM1_OC ,ugC m-3 ,PM1_OC[3]\n!PM1_OM ,ug m-3 ,PM1_OA[3]\n!PM1_SO4 ,ug m-3 ,PM1_SO4[3]\n!PM1_CL ,ug m-3 ,PM1_CL[3]\n!PM1_NA ,ug m-3 ,PM1_NA[3]\n!PM1_MG ,ug m-3 ,PM1_MG[3]\n!PM1_K ,ug m-3 ,PM1_K[3]\n!PM1_CA ,ug m-3 ,PM1_CA[3]\n!PM1_NH4 ,ug m-3 ,PM1_NH4[3]\n!PM1_NO3 ,ug m-3 ,PM1_NO3[3]\n!PM1_SOIL ,ug m-3 ,PM1_SOIL[3]\n!PM1_UNSPEC1 ,ug m-3 ,PM1_UNSP1[3]\n!PM1_UNSPCRS ,ug m-3 ,PM1_UNSPCRS[3]\n\n!! PM2.5 species computed using modeled size distribution\nPM25_HP ,ug m-3 ,PM25_HP[3]\nPM25_CL ,ug m-3 ,PM25_CL[3] \nPM25_EC ,ug m-3 ,PM25_EC[3] \nPM25_NA ,ug m-3 ,PM25_NA[3] \nPM25_MG ,ug m-3 ,PM25_MG[3] \nPM25_K ,ug m-3 ,PM25_K[3] \nPM25_CA ,ug m-3 ,PM25_CA[3] \nPM25_NH4 ,ug m-3 ,PM25_NH4[3] \nPM25_NO3 ,ug m-3 ,PM25_NO3[3] \nPM25_OC ,ugC m-3 ,PM25_OC[3] \nPM25_OM ,ug m-3 ,PM25_OA[3] \nPM25_SOIL ,ug m-3 ,PM25_SOIL[3] \nPM25_SO4 ,ug m-3 ,PM25_SO4[3] \nPM25_TOT ,ug m-3 ,PM25[3] \nPM25_UNSPEC1 ,ug m-3 ,PM25_UNSP1[3] \nPM25_UNSPCRS ,ug m-3 ,PM25_UNSPCRS[3] \n \n\n!! Fine particle acidity (pH). pH is undefined if there is no aerosol water.\n!Do not trust predictions when hourly water is <0.01 ug m-3. FINEPHF will\n!have large negative value (-9.999E36) when pH is not to be trusted.\n!AH2OIJ ,ug m-3 ,AH2OI[1]+AH2OJ[1]\n!HPMOLAL ,mol kg-1 ,AHPLUSIJ[0]/AH2OIJ[0]*1000.0\n!ACIDITYTEMP , ,-1*LOG10(HPMOLAL[0])\n!FINEPHF , ,AH2OIJ[0]>0.01 ? ACIDITYTEMP[0] : -9.999E36\n\n!! PM10.0 and Coarse-Sized Species\nPM10 ,ug m-3 ,PM10[3]\n \nPMC_CL ,ug m-3 ,PM25TO10_CL[3]\nPMC_NA ,ug m-3 ,PM25TO10_NA[3]\nPMC_NH4 ,ug m-3 ,PM25TO10_NH4[3] \nPMC_NO3 ,ug m-3 ,PM25TO10_NO3[3] \nPMC_SO4 ,ug m-3 ,PM25TO10_SO4[3] \nPMC_TOT ,ug m-3 ,PM25TO10[3] \n \n!! FRM PM Equivalent Calculation\nPMIJ_FRM ,ug m-3 ,PMF_FRM[3]\nPM25_FRM ,ug m-3 ,PM25_FRM[3]\n" }, { "path": "CCTM/src/MECHS/saprc07tic_ae7i_aq/mech_saprc07tic_ae7i_aq.def", "content": "! 01/20/2010: B. Hutzell created based on SAPRC07T Mechanism, version \"C\"\n! from William Carter dated 12-Jan-2010 09:56. The version from Carter\n! incoporates comments from CARB peer review and corrects errors \n! explained in Appendix E of the SAPRC07 report.\n! 1) Added species and reactions for secondary organic aerosol \n! production as represented in the CMAQ AERO5 alogrithm.\n! 2) Added reactive tracers for HCHO, CCHO, and ACROLEIN emissions\n! 01/26/2010 B. Hutzell corrected rate constants for reactions 11, 12, 20, BR18\n! and BR19 noticed by Sharon Shearer at UC Berkeley on Jan 22, 2010\n! For reactions 11 and 12, the fall off parameter changed from &1.0\n! to &1.33. For reaction 20, the rate constant went from 1.63e-10 to\n! 1.63e-10@-60. For reactions BR18 and BR19, the fall off parameter \n! changed from &1.0 to &1.41.\n! 11/09/2011 Y. Xie added updated isprene oxidation (OH, NO3) scheme\n! 02/10/2012 B. Hutzell changed the rate constant for N2O5 and H2O termmolecular\n! reactions to zero and cut the bimolecular rate constant for N2O5 and H2O\n! to 1.0e-22 from 2.2e-22 based on preferences in IUPAC 2010 data sheet\n! 06/07/2012 B. Hutzell corrected Reaction TR10 so product is CL not HCL\n! 06/07/2012 B. Hutzell changed OH + NO2 rate constant to recommndations given\n! in supplementary material for Mollner et al. (2010), Science 330, 646.\n! 08/21/2012 B. Hutzell turned off NO2EX cycle to setting EX1 rate constant to zero\n! Note that EXOH originally used rate constant of zero by insert a blank\n! in the appropriate space. A zero has replaced the blank to remove \n! ambiguities.\n! 12/20/2012 H. Pye Added later generation isoprene products formed under high NOx\n! conditions. Includes separation of some previously lumped species (MACO3,\n! MAPAN) and inclusion of new species such as MAE and HMML. For MAE and HMML\n! formation, see Kjaergaard et al. (2012), J Phys Chem A and Lin et al.\n! (2012) submitted to PNAS.\n\n! B.Hutzell 07/10/14\n! added 1) inorganic heterogeneous reactions for N2O5 and NO2, 2) oligomerization reactions for \n! SOA species, excluding species derived from isoprene and 3) aging reactions for primary \n! organic carbon and non-carbon aerosol species\n! Golam Sarwar 12/02/14\n! -Added ozone loss representing a simplification halogen reactions chemistry over sea-water\n! B.Hutzell 01/27/15\n! 1) implemented the nonaromatic changes found in the supplementary material for the paper:\n! Carter and Gookyoung (2013), Development of revised SAPRC aromatics mechanisms, Atm. Env., \n! vol. 77, pp 404-414, http://dx.doi.org/10.1016/j.atmosenv.2013.05.021.\n! (http://www.sciencedirect.com/science/article/pii/S1352231013003646)\n! a) modified reaction BR22, BR32, BR43, and IS70, the MECO3, RCO3, BZCO3, and MACO3 reactions\n! with HO2 based on IUPAC (2009) recommendations for HO2 + acyl radical reactions:\n! http://iupac.pole-ether.fr/htdocs/datasheets/pdf/HOx_VOC54_HO2_CH3CO3.pdf (last accessed Jan. 2015).\n! b) corrected reaction BE10, ACETYLENE + NO3, by setting the temperature power for k0 to zero\n! and setting temperature for kinf to -2\n! c) corrected reaction BE04, ETHENE + NO3, by setting the temperature power to zero\n! d) revised GLY reactions with OH and NO3 based IUPAC (2008) recomendation that introduces a new\n! peroxy radical species HCOCO3:\n! http://iupac.pole-ether.fr/htdocs/datasheets/pdf/HOx_VOC16_HO_(CHO)2.pdf (last accessed Jan. 2015).\n! 2) revised N2O5 + H2O heterogeneous reaction to yield HNO3 and CLNO2 mechanism based on Sarwar et al. (2014)\n! Importance of tropospheric ClNO2 chemistry across the Northern Hemisphere, GRL. vol. 41, pp. 4050-4058.\n! 3) changed the OH + NO2 reaction based on the recommendation of the IUPAC datasheet:\n! http://iupac.pole-ether.fr/htdocs/datasheets/pdf/NOx13_HO_NO2.pdf (last accessed Jan. 2015).\n! 4) removed species NO2EX, excited NO2, and its reactions\n! 01/29/2015 H. Pye\n! 1) updated isoprene nitrate reaction rates with OH, NO, O3 following\n! Lee et al. J. Phys. Chem. A (2014) dx.doi.org/10.1021/jp4107603.\n! 2) Added isomerization of MACR+OH peroxy radical (addition channel) following\n! Crounse et al. J. Phys. Chem. A. (2012) http://pubs.acs.org/doi/abs/10.1021/jp211560u.\n! 3) Minor update to MACR+OH peroxy radical product yields following Crounse et al.\n! -MACROO (product from addition channel): ~43-48% of MACR oxidation is addition\n! to external olefinic carbon, ~0-9% is addition to internal olefinic carbon\n! -IMACO3 (product from abstraction channel leading to MPAN): ~45-50% of MACR oxidation\n! 04-06/2015 H. Pye Retained TERP (monoterpene) nitrate species identity\n! by renaming RNO3, zRNO3 to MTNO3, zMTNO3 in\n! monoterpene reaction. APIN does not form SOA, so its RNO3 was not renamed.\n! Reclassified ROOH from TERP+NO3+HO2 as MTNO3 (it has both -OOH and -ONO2)\n! MTNO3 is semivolatile and forms SOA via partitioning\n! 04/21/2015 H. Pye Updated chemistry to track isoprene nitrate aerosol precursors:\n! 1) Renamed PROPNNB from NIT1NO3OOA (from ISOPRENE+NO3+NO3 )\n! to PROPNN where PROPNN refers to isoprene nitrates with only ONE nitrate functional group\n! 2) PROPNNB from ISOPRENE+NO3,+NO3 leading to dinitrates renamed ISOPNN (C5O9N2H10, MW=226 g/mol). \n! 3) PROPNNB from ISOPRENE+NO3,+OH with one nitrate and one OH named PROPNN\n! 4) Nitrate from ISOPRENE+NO3,+O3 is relabeled PROPNN\n! 5) ISOPNN is semivolatile and forms SOA via partitioning\n! See Rollins et al. 2009 ACP for info on second generation isoprene nitrates.\n! 04-06/2015 H. Pye Added hydrolysis of particle-phase nitrates (AMTNO3, AISOPNN) with 3 hour lifetime. \n! 06/2015 H. Pye Added uptake of GLY and MGLY to particles to form SOA\n! 07/2015 H. Pye Corrected NO2, XC, and XN in MTNO3 forming reactions. See Pye et al. 2015 in prep.\n! 07/2015 H. Pye All updates for saprc07tic-ae6i v5.1 documented \n! in Pye et al. in prep for ES&T 2015\n! 10/19/15 B.Hutzell: Renamed ACROLEIN_PRIMARY and TRIMETH_BENZ124 to ACRO_PRIMARY and TMBENZ124 for \n! DDM compliance\n!\n! 09/15/2017 G. Sarwar: Removed the duplicate heterogeneous reaction of N2O5: \n!\n! 07/16/2018 H Pye created saprc07tic_ae7i from saprc07tic_ae6i\n!\n! 03-04-21 G.Sarwar: updated \n\n SAPRC07TIC_AE7I_AQ\n\nELIMINATE =\nXN;\nXC;\nEND ELIMINATE\n\nREACTIONS [CM] =\n<1> NO2 = NO + O3P # 1.0/;\n<2> O3P + O2 + M = O3 # 5.68e-34^-2.60;\n<3> O3P + O3 = # 8.00e-12@2060;\n<4> O3P + NO = NO2 # 9.00e-32^-1.50&3.00e-11&0.60&1.0;\n<5> O3P + NO2 = NO # 5.50e-12@-188;\n<6> O3P + NO2 = NO3 # 2.50e-31^-1.80&2.20e-11^-0.70&0.60&1.0;\n<7> O3 + NO = NO2 # 3.00e-12@1500;\n<8> O3 + NO2 = NO3 # 1.40e-13@2470;\n<9> NO + NO3 = 2*NO2 # 1.80e-11@-110;\n<10> NO + NO + O2 = 2*NO2 # 3.30e-39@-530;\n<11> NO2 + NO3 = N2O5 # 3.60e-30^-4.10&1.90e-12^0.20&0.35&1.33;\n<12> N2O5 = NO2 + NO3 # 1.30e-03^-3.50@11000&9.70e+14^0.10@11080&0.35&1.33;\n<13> N2O5 + H2O = 2*HNO3 # 1.00e-22;\n<14> N2O5 + H2O + H2O = 2*HNO3 # 0.00e+00;\n!<14> N2O5 + H2O + H2O = 2*HNO3 # 1.80e-39;\n<15> NO2 + NO3 = NO + NO2 # 4.50e-14@1260;\n<16> NO3 = NO # 1.0/;\n<17> NO3 = NO2 + O3P # 1.0/;\n<18> O3 = O1D # 1.0/;\n<19> O3 = O3P # 1.0/;\n<20> O1D + H2O = 2*OH # 1.63e-10@-60;\n<21> O1D + M = O3P # 2.38e-11@-96;\n<22> OH + NO = HONO # 7.00e-31^-2.60&3.60e-11^-0.10&0.60&1.0;\n<23> HONO = OH + NO # 1.0/;\n<24> OH + HONO = NO2 # 2.50e-12@-260;\n<25> OH + NO2 = HNO3 # 3.2e-30^-4.50&3.0e-11&0.41&1.24;\n<26> OH + NO3 = HO2 + NO2 # 2.00e-11;\n<27> OH + HNO3 = NO3 %2 # 2.40e-14@-460&2.70e-17@-2199&6.50e-34@-1335;\n<28> HNO3 = OH + NO2 # 1.0/;\n<29> OH + CO = HO2 + CO2 %3 # 1.44e-13@0&3.43e-33@0;\n<30> OH + O3 = HO2 # 1.70e-12@940;\n<31> HO2 + NO = OH + NO2 # 3.60e-12@-270;\n<32> HO2 + NO2 = HNO4 # 2.00e-31^-3.40&2.90e-12^-1.10&0.60&1.0;\n<33> HNO4 = HO2 + NO2 # 3.72e-05^-2.40@10650&5.42e+15^-2.30@11170&0.60&1.0;\n<34> HNO4 = 0.61*HO2 + 0.61*NO2 + 0.39*OH + 0.39*NO3 # 1.0/;\n<35> HNO4 + OH = NO2 # 1.30e-12@-380;\n<36> HO2 + O3 = OH # 2.03e-16^4.57@-693;\n<37> HO2 + HO2 = HO2H %3 # 2.20e-13@-600&1.90e-33@-980;\n<38> HO2 + HO2 + H2O = HO2H %3 # 3.08e-34@-2800&2.66e-54@-3180;\n<39> NO3 + HO2 = 0.8*OH + 0.8*NO2 + 0.2*HNO3 # 4.00e-12;\n<40> NO3 + NO3 = 2*NO2 # 8.50e-13@2450;\n<41> HO2H = 2*OH # 1.0/;\n<42> HO2H + OH = HO2 # 1.80e-12;\n<43> OH + HO2 = # 4.80e-11@-250;\n<44> OH + SO2 = HO2 + SULF + SULRXN # 3.30e-31^-4.30&1.60e-12&0.60&1.0;\n<45> OH + H2 = HO2 # 7.70e-12@2100;\n MEO2 + NO = NO2 + HCHO + HO2 # 2.30e-12@-360;\n MEO2 + HO2 = COOH # 3.46e-13^0.36@-780;\n MEO2 + HO2 = HCHO # 3.34e-14^-3.53@-780;\n MEO2 + NO3 = HCHO + HO2 + NO2 # 1.30e-12;\n MEO2 + MEO2 = MEOH + HCHO # 6.39e-14^-1.80@-365;\n MEO2 + MEO2 = 2*HCHO + 2*HO2 # 7.40e-13@520;\n RO2C + NO = NO2 # 2.60e-12@-380;\n RO2C + HO2 = # 3.80e-13@-900;\n RO2C + NO3 = NO2 # 2.30e-12;\n RO2C + MEO2 = 0.5*HO2 + 0.75*HCHO + 0.25*MEOH # 2.00e-13;\n RO2C + RO2C = # 3.50e-14;\n RO2XC + NO = XN # 1.0*K;\n RO2XC + HO2 = # 1.0*K;\n RO2XC + NO3 = NO2 # 1.0*K;\n RO2XC + MEO2 = 0.5*HO2 + 0.75*HCHO + 0.25*MEOH # 1.0*K;\n RO2XC + RO2C = # 1.0*K;\n RO2XC + RO2XC = # 1.0*K;\n MECO3 + NO2 = PAN # 2.70e-28^-7.10&1.21e-11^-0.90&0.30&1.41;\n PAN = MECO3 + NO2 # 4.90e-03@12100&4.00e+16@13600&0.30&1.41;\n PAN = 0.6*MECO3 + 0.6*NO2 + 0.4*MEO2 + 0.4*CO2 + 0.4*NO3 # 1.0/;\n MECO3 + NO = MEO2 + CO2 + NO2 # 7.50e-12@-290;\n!revised acyl peroxy reaction with HO2 but splitting organic acid into two parts\n MECO3 + HO2 = 0.105*CCOOOH + 0.045*CCOOH + 0.15*O3 \n + 0.44*OH + 0.44*MEO2 + 0.44*CO2 # 5.20e-13@-980;\n MECO3 + NO3 = MEO2 + CO2 + NO2 # 1.0*K;\n MECO3 + MEO2 = 0.1*CCOOH + 0.1*HCHO + 0.9*HCHO + 0.9*HO2 + 0.9*MEO2 +\n 0.9*CO2 # 2.00e-12@-500;\n MECO3 + RO2C = MEO2 + CO2 # 4.40e-13@-1070;\n MECO3 + RO2XC = MEO2 + CO2 # 1.0*K;\n MECO3 + MECO3 = 2*MEO2 + 2*CO2 # 2.90e-12@-500;\n RCO3 + NO2 = PAN2 # 1.21e-11^-1.07@0;\n PAN2 = RCO3 + NO2 # 8.30e+16@13940;\n PAN2 = 0.6*RCO3 + 0.6*NO2 + 0.4*RO2C + 0.4*xHO2 + 0.4*yROOH + 0.4*xCCHO +\n 0.4*CO2 + 0.4*NO3 # 1.0/;\n RCO3 + NO = NO2 + RO2C + xHO2 + yROOH + xCCHO + CO2 # 6.70e-12@-340;\n!revised acyl peroxy reaction with HO2 but splitting organic acid into two parts\n RCO3 + HO2 = 0.3075*RCOOOH + .1025*RCOOH + 0.15*O3 \n + 0.44*OH + 0.44*xHO2 + 0.44*RO2C + 0.44*CO2 + 0.44*xCCHO \n + 0.44*yROOH # 1.0*K;\n RCO3 + NO3 = NO2 + RO2C + xHO2 + yROOH + xCCHO + CO2 # 1.0*K;\n RCO3 + MEO2 = HCHO + HO2 + RO2C + xHO2 + xCCHO + yROOH + CO2\n # 1.0*K;\n RCO3 + RO2C = RO2C + xHO2 + xCCHO + yROOH + CO2 # 1.0*K;\n RCO3 + RO2XC = RO2C + xHO2 + xCCHO + yROOH + CO2 # 1.0*K;\n RCO3 + MECO3 = 2*CO2 + MEO2 + RO2C + xHO2 + yROOH + xCCHO # 1.0*K;\n RCO3 + RCO3 = 2*RO2C + 2*xHO2 + 2*xCCHO + 2*yROOH + 2*CO2 # 1.0*K;\n BZCO3 + NO2 = PBZN # 1.37e-11;\n PBZN = BZCO3 + NO2 # 7.90e+16@14000;\n PBZN = 0.6*BZCO3 + 0.6*NO2 + 0.4*CO2 + 0.4*BZO + 0.4*RO2C + 0.4*NO3\n # 1.0/;\n BZCO3 + NO = NO2 + CO2 + BZO + RO2C # 1.0*K;\n!revised acyl peroxy reaction with HO2 but splitting organic acid into two parts\n BZCO3 + HO2 = .3075*RCOOOH + 0.1025*RCOOH + 0.15*O3 \n + 0.44*OH + 0.44*BZO + 0.44*RO2C + 0.44*CO2 # 1.0*K;\n BZCO3 + NO3 = NO2 + CO2 + BZO + RO2C # 1.0*K;\n BZCO3 + MEO2 = HCHO + HO2 + RO2C + BZO + CO2 # 1.0*K;\n BZCO3 + RO2C = RO2C + BZO + CO2 # 1.0*K;\n BZCO3 + RO2XC = RO2C + BZO + CO2 # 1.0*K;\n BZCO3 + MECO3 = 2*CO2 + MEO2 + BZO + RO2C # 1.0*K;\n BZCO3 + RCO3 = 2*CO2 + RO2C + xHO2 + yROOH + xCCHO + BZO + RO2C\n # 1.0*K;\n BZCO3 + BZCO3 = 2*BZO + 2*RO2C + 2*CO2 # 1.0*K;\n MACO3 + NO2 = MAPAN # 1.0*K;\n MAPAN = MACO3 + NO2 # 1.60e+16@13486;\n MAPAN = 0.6*MACO3 + 0.6*NO2 + 0.4*CO2 + 0.4*HCHO + 0.4*MECO3 + 0.4*NO3\n # 1.0/;\n\n\n TBUO + NO2 = RNO3 - 2*XC # 2.40e-11;\n TBUO = ACETONE + MEO2 # 7.50e+14@8152;\n BZO + NO2 = NPHE # 2.30e-11@-150;\n BZO + HO2 = CRES - 1*XC # 1.0*K;\n BZO = CRES + RO2C + xHO2 - 1*XC # 1.00e-03;\n xHO2 + NO = NO + HO2 # 1.0*K;\n xHO2 + HO2 = HO2 # 1.0*K;\n xHO2 + NO3 = NO3 + HO2 # 1.0*K;\n xHO2 + MEO2 = MEO2 + 0.5*HO2 # 1.0*K;\n xHO2 + RO2C = RO2C + 0.5*HO2 # 1.0*K;\n xHO2 + RO2XC = RO2XC + 0.5*HO2 # 1.0*K;\n xHO2 + MECO3 = MECO3 + HO2 # 1.0*K;\n xHO2 + RCO3 = RCO3 + HO2 # 1.0*K;\n xHO2 + BZCO3 = BZCO3 + HO2 # 1.0*K;\n xHO2 + MACO3 = MACO3 + HO2 # 1.0*K;\n xOH + NO = NO + OH # 1.0*K;\n xOH + HO2 = HO2 # 1.0*K;\n xOH + NO3 = NO3 + OH # 1.0*K;\n xOH + MEO2 = MEO2 + 0.5*OH # 1.0*K;\n xOH + RO2C = RO2C + 0.5*OH # 1.0*K;\n xOH + RO2XC = RO2XC + 0.5*OH # 1.0*K;\n xOH + MECO3 = MECO3 + OH # 1.0*K;\n xOH + RCO3 = RCO3 + OH # 1.0*K;\n xOH + BZCO3 = BZCO3 + OH # 1.0*K;\n xOH + MACO3 = MACO3 + OH # 1.0*K;\n xNO2 + NO = NO + NO2 # 1.0*K;\n xNO2 + HO2 = HO2 + XN # 1.0*K;\n xNO2 + NO3 = NO3 + NO2 # 1.0*K;\n xNO2 + MEO2 = MEO2 + 0.5*NO2 + 0.5*XN # 1.0*K;\n xNO2 + RO2C = RO2C + 0.5*NO2 + 0.5*XN # 1.0*K;\n xNO2 + RO2XC = RO2XC + 0.5*NO2 + 0.5*XN # 1.0*K;\n xNO2 + MECO3 = MECO3 + NO2 # 1.0*K;\n xNO2 + RCO3 = RCO3 + NO2 # 1.0*K;\n xNO2 + BZCO3 = BZCO3 + NO2 # 1.0*K;\n xNO2 + MACO3 = MACO3 + NO2 # 1.0*K;\n xMEO2 + NO = NO + MEO2 # 1.0*K;\n xMEO2 + HO2 = HO2 + XC # 1.0*K;\n xMEO2 + NO3 = NO3 + MEO2 # 1.0*K;\n xMEO2 + MEO2 = MEO2 + 0.5*MEO2 + 0.5*XC # 1.0*K;\n xMEO2 + RO2C = RO2C + 0.5*MEO2 + 0.5*XC # 1.0*K;\n xMEO2 + RO2XC = RO2XC + 0.5*MEO2 + 0.5*XC # 1.0*K;\n xMEO2 + MECO3 = MECO3 + MEO2 # 1.0*K;\n xMEO2 + RCO3 = RCO3 + MEO2 # 1.0*K;\n xMEO2 + BZCO3 = BZCO3 + MEO2 # 1.0*K;\n xMEO2 + MACO3 = MACO3 + MEO2 # 1.0*K;\n xMECO3 + NO = NO + MECO3 # 1.0*K;\n xMECO3 + HO2 = HO2 + 2*XC # 1.0*K;\n xMECO3 + NO3 = NO3 + MECO3 # 1.0*K;\n xMECO3 + MEO2 = MEO2 + 0.5*MECO3 + XC # 1.0*K;\n xMECO3 + RO2C = RO2C + 0.5*MECO3 + XC # 1.0*K;\n xMECO3 + RO2XC = RO2XC + 0.5*MECO3 + XC # 1.0*K;\n xMECO3 + MECO3 = MECO3 + MECO3 # 1.0*K;\n xMECO3 + RCO3 = RCO3 + MECO3 # 1.0*K;\n xMECO3 + BZCO3 = BZCO3 + MECO3 # 1.0*K;\n xMECO3 + MACO3 = MACO3 + MECO3 # 1.0*K;\n xRCO3 + NO = NO + RCO3 # 1.0*K;\n xRCO3 + HO2 = HO2 + 3*XC # 1.0*K;\n xRCO3 + NO3 = NO3 + RCO3 # 1.0*K;\n xRCO3 + MEO2 = MEO2 + 0.5*RCO3 + 1.5*XC # 1.0*K;\n xRCO3 + RO2C = RO2C + 0.5*RCO3 + 1.5*XC # 1.0*K;\n xRCO3 + RO2XC = RO2XC + 0.5*RCO3 + 1.5*XC # 1.0*K;\n xRCO3 + MECO3 = MECO3 + RCO3 # 1.0*K;\n xRCO3 + RCO3 = RCO3 + RCO3 # 1.0*K;\n xRCO3 + BZCO3 = BZCO3 + RCO3 # 1.0*K;\n xRCO3 + MACO3 = MACO3 + RCO3 # 1.0*K;\n xMACO3 + NO = NO + MACO3 # 1.0*K;\n xMACO3 + HO2 = HO2 + 4*XC # 1.0*K;\n xMACO3 + NO3 = NO3 + MACO3 # 1.0*K;\n xMACO3 + MEO2 = MEO2 + 0.5*MACO3 + 2*XC # 1.0*K;\n xMACO3 + RO2C = RO2C + 0.5*MACO3 + 2*XC # 1.0*K;\n xMACO3 + RO2XC = RO2XC + 0.5*MACO3 + 2*XC # 1.0*K;\n xMACO3 + MECO3 = MECO3 + MACO3 # 1.0*K;\n xMACO3 + RCO3 = RCO3 + MACO3 # 1.0*K;\n xMACO3 + BZCO3 = BZCO3 + MACO3 # 1.0*K;\n xMACO3 + MACO3 = MACO3 + MACO3 # 1.0*K;\n xTBUO + NO = NO + TBUO # 1.0*K;\n xTBUO + HO2 = HO2 + 4*XC # 1.0*K;\n xTBUO + NO3 = NO3 + TBUO # 1.0*K;\n xTBUO + MEO2 = MEO2 + 0.5*TBUO + 2*XC # 1.0*K;\n xTBUO + RO2C = RO2C + 0.5*TBUO + 2*XC # 1.0*K;\n xTBUO + RO2XC = RO2XC + 0.5*TBUO + 2*XC # 1.0*K;\n xTBUO + MECO3 = MECO3 + TBUO # 1.0*K;\n xTBUO + RCO3 = RCO3 + TBUO # 1.0*K;\n xTBUO + BZCO3 = BZCO3 + TBUO # 1.0*K;\n xTBUO + MACO3 = MACO3 + TBUO # 1.0*K;\n xCO + NO = NO + CO # 1.0*K;\n xCO + HO2 = HO2 + XC # 1.0*K;\n xCO + NO3 = NO3 + CO # 1.0*K;\n xCO + MEO2 = MEO2 + 0.5*CO + 0.5*XC # 1.0*K;\n xCO + RO2C = RO2C + 0.5*CO + 0.5*XC # 1.0*K;\n xCO + RO2XC = RO2XC + 0.5*CO + 0.5*XC # 1.0*K;\n xCO + MECO3 = MECO3 + CO # 1.0*K;\n xCO + RCO3 = RCO3 + CO # 1.0*K;\n xCO + BZCO3 = BZCO3 + CO # 1.0*K;\n xCO + MACO3 = MACO3 + CO # 1.0*K;\n HCHO = 2*HO2 + CO # 1.0/;\n HCHO = CO # 1.0/;\n HCHO + OH = HO2 + CO # 5.40e-12@-135;\n HCHO + NO3 = HNO3 + HO2 + CO # 2.00e-12@2431;\n CCHO + OH = MECO3 # 4.40e-12@-365;\n CCHO = CO + HO2 + MEO2 # 1.0/;\n CCHO + NO3 = HNO3 + MECO3 # 1.40e-12@1860;\n RCHO + OH = 0.965*RCO3 + 0.035*RO2C + 0.035*xHO2 + 0.035*xCO +\n 0.035*xCCHO + 0.035*yROOH # 5.10e-12@-405;\n RCHO = RO2C + xHO2 + yROOH + xCCHO + CO + HO2 # 1.0/;\n RCHO + NO3 = HNO3 + RCO3 # 1.40e-12@1601;\n ACETONE + OH = RO2C + xMECO3 + xHCHO + yROOH # 4.56e-14^3.65@-429;\n ACETONE = 0.62*MECO3 + 1.38*MEO2 + 0.38*CO # 5.00e-1/;\n MEK + OH = 0.967*RO2C + 0.039*RO2XC + 0.039*zRNO3 + 0.376*xHO2 +\n 0.51*xMECO3 + 0.074*xRCO3 + 0.088*xHCHO + 0.504*xCCHO + 0.376*xRCHO +\n yROOH + 0.3*XC # 1.30e-12^2.00@25;\n MEK = MECO3 + RO2C + xHO2 + xCCHO + yROOH # 1.75e-1/;\n MEOH + OH = HCHO + HO2 # 2.85e-12@345;\n HCOOH + OH = HO2 + CO2 # 4.50e-13;\n CCOOH + OH = 0.509*MEO2 + 0.491*RO2C + 0.509*CO2 + 0.491*xHO2 +\n 0.491*xMGLY + 0.491*yROOH - 0.491*XC # 4.20e-14@-855;\n RCOOH + OH = RO2C + xHO2 + 0.143*CO2 + 0.142*xCCHO + 0.4*xRCHO +\n 0.457*xBACL + yROOH - 0.455*XC # 1.20e-12;\n COOH + OH = 0.3*HCHO + 0.3*OH + 0.7*MEO2 # 3.80e-12@-200;\n COOH = HCHO + HO2 + OH # 1.0/;\n ROOH + OH = 0.744*OH + 0.251*RO2C + 0.004*RO2XC + 0.004*zRNO3 +\n 0.744*RCHO + 0.239*xHO2 + 0.012*xOH + 0.012*xHCHO + 0.012*xCCHO +\n 0.205*xRCHO + 0.034*xPROD2 + 0.256*yROOH - 0.115*XC # 2.50e-11;\n ROOH = RCHO + HO2 + OH # 1.0/;\n R6OOH + OH = 0.84*OH + 0.222*RO2C + 0.029*RO2XC + 0.029*zRNO3 +\n 0.84*PRD2 + 0.09*xHO2 + 0.041*xOH + 0.02*xCCHO + 0.075*xRCHO +\n 0.084*xPROD2 + 0.16*yROOH + 0.02*XC # 5.60e-11;\n R6OOH = OH + 0.142*HO2 + 0.782*RO2C + 0.077*RO2XC + 0.077*zRNO3 +\n 0.085*RCHO + 0.142*PRD2 + 0.782*xHO2 + 0.026*xCCHO + 0.058*xRCHO +\n 0.698*xPROD2 + 0.858*yR6OOH + 0.017*XC # 1.0/;\n RAOOH + OH = 0.139*OH + 0.148*HO2 + 0.589*RO2C + 0.124*RO2XC +\n 0.124*zRNO3 + 0.074*PRD2 + 0.147*MGLY + 0.139*IPRD + 0.565*xHO2 +\n 0.024*xOH + 0.448*xRCHO + 0.026*xGLY + 0.03*xMEK + 0.252*xMGLY +\n 0.073*xAFG1 + 0.073*xAFG2 + 0.713*yR6OOH + 2.674*XC # 1.41e-10;\n RAOOH = OH + HO2 + 0.5*GLY + 0.5*MGLY + 0.5*AFG1 + 0.5*AFG2 + 0.5*XC\n # 1.0/;\n GLY = 2*CO + 2*HO2 # 1.0/;\n GLY = HCHO + CO # 1.0/;\n! changed GLY reactions with OH and NO3\n GLY + OH = 0.70*HO2 + 1.40*CO + 0.3*HCOCO3 # 3.10e-12@-342.2;\n GLY + NO3 = HNO3 + 0.70*HO2 + 1.40*CO + 0.3*HCOCO3\n # 2.80e-12@2390;\n MGLY = HO2 + CO + MECO3 # 1.0/;\n MGLY + OH = CO + MECO3 # 1.50e-11;\n MGLY + NO3 = HNO3 + CO + MECO3 # 1.40e-12@1895;\n BACL = 2*MECO3 # 1.0/;\n CRES + OH = 0.2*BZO + 0.8*RO2C + 0.8*xHO2 + 0.8*yR6OOH + 0.25*xMGLY +\n 5.05*XC # 1.70e-12@-950;\n CRES + NO3 = HNO3 + BZO + XC # 1.40e-11;\n NPHE + OH = BZO + XN # 3.50e-12;\n NPHE = HONO + 6*XC # 1.50e-3/;\n NPHE = 6*XC + XN # 1.50e-2/;\n BALD + OH = BZCO3 # 1.20e-11;\n BALD = 7*XC # 6.00e-2/;\n BALD + NO3 = HNO3 + BZCO3 # 1.34e-12@1860;\n AFG1 + OH = 0.217*MACO3 + 0.723*RO2C + 0.06*RO2XC + 0.06*zRNO3 +\n 0.521*xHO2 + 0.201*xMECO3 + 0.334*xCO + 0.407*xRCHO + 0.129*xMEK +\n 0.107*xGLY + 0.267*xMGLY + 0.783*yR6OOH + 0.284*XC # 7.40e-11;\n AFG1 + O3 = 0.826*OH + 0.522*HO2 + 0.652*RO2C + 0.522*CO + 0.174*CO2 +\n 0.432*GLY + 0.568*MGLY + 0.652*xRCO3 + 0.652*xHCHO + 0.652*yR6OOH -\n 0.872*XC # 9.66e-18;\n AFG1 = 1.023*HO2 + 0.173*MEO2 + 0.305*MECO3 + 0.5*MACO3 + 0.695*CO +\n 0.195*GLY + 0.305*MGLY + 0.217*XC # 1.0/;\n AFG2 + OH = 0.217*MACO3 + 0.723*RO2C + 0.06*RO2XC + 0.06*zRNO3 +\n 0.521*xHO2 + 0.201*xMECO3 + 0.334*xCO + 0.407*xRCHO + 0.129*xMEK +\n 0.107*xGLY + 0.267*xMGLY + 0.783*yR6OOH + 0.284*XC # 7.40e-11;\n AFG2 + O3 = 0.826*OH + 0.522*HO2 + 0.652*RO2C + 0.522*CO + 0.174*CO2 +\n 0.432*GLY + 0.568*MGLY + 0.652*xRCO3 + 0.652*xHCHO + 0.652*yR6OOH -\n 0.872*XC # 9.66e-18;\n AFG2 = PRD2 - 1*XC # 1.0/;\n AFG3 + OH = 0.206*MACO3 + 0.733*RO2C + 0.117*RO2XC + 0.117*zRNO3 +\n 0.561*xHO2 + 0.117*xMECO3 + 0.114*xCO + 0.274*xGLY + 0.153*xMGLY +\n 0.019*xBACL + 0.195*xAFG1 + 0.195*xAFG2 + 0.231*xIPRD + 0.794*yR6OOH +\n 0.938*XC # 9.35e-11;\n AFG3 + O3 = 0.471*OH + 0.554*HO2 + 0.013*MECO3 + 0.258*RO2C +\n 0.007*RO2XC + 0.007*zRNO3 + 0.58*CO + 0.19*CO2 + 0.366*GLY +\n 0.184*MGLY + 0.35*AFG1 + 0.35*AFG2 + 0.139*AFG3 + 0.003*MACR +\n 0.004*MVK + 0.003*IPRD + 0.095*xHO2 + 0.163*xRCO3 + 0.163*xHCHO +\n 0.095*xMGLY + 0.264*yR6OOH - 0.575*XC # 1.43e-17;\n\n MACR + O3 = 0.208*OH + 0.108*HO2 + 0.1*RO2C + 0.45*CO + 0.117*CO2 +\n 0.1*HCHO + 0.9*MGLY + 0.333*HCOOH + 0.1*xRCO3 + 0.1*xHCHO + 0.1*yROOH -\n 0.1*XC # 1.40e-15@2100;\n MACR + O3P = RCHO + XC # 6.34e-12;\n\n MVK + O3 = 0.164*OH + 0.064*HO2 + 0.05*RO2C + 0.05*xHO2 + 0.475*CO +\n 0.124*CO2 + 0.05*HCHO + 0.95*MGLY + 0.351*HCOOH + 0.05*xRCO3 +\n 0.05*xHCHO + 0.05*yROOH - 0.05*XC # 8.50e-16@1520;\n MVK + O3P = 0.45*RCHO + 0.55*MEK + 0.45*XC # 4.32e-12;\n MVK = 0.4*MEO2 + 0.6*CO + 0.6*PRD2 + 0.4*MACO3 - 2.2*XC # 1.0/;\n IPRD + OH = 0.289*MACO3 + 0.67*RO2C + 0.67*xHO2 + 0.041*RO2XC +\n 0.041*zRNO3 + 0.336*xCO + 0.055*xHCHO + 0.129*xHOCCHO + 0.013*xRCHO +\n 0.15*xMEK + 0.332*xPROD2 + 0.15*xGLY + 0.174*xMGLY + 0.711*yR6OOH \n - 0.504*XC # 6.19e-11;\n IPRD + O3 = 0.285*OH + 0.4*HO2 + 0.048*RO2C + 0.048*xRCO3 + 0.498*CO +\n 0.14*CO2 + 0.124*HCHO + 0.21*MEK + 0.023*GLY + 0.742*MGLY + 0.1*HCOOH +\n 0.372*RCOOH + 0.047*xHOCCHO + 0.001*xHCHO + 0.048*yR6OOH - 0.329*XC\n # 4.18e-18;\n IPRD + NO3 = 0.15*MACO3 + 0.15*HNO3 + 0.799*RO2C + 0.799*xHO2 +\n 0.051*RO2XC + 0.051*zRNO3 + 0.572*xCO + 0.227*xHCHO + 0.218*xRCHO +\n 0.008*xMGLY + 0.572*xRNO3 + 0.85*yR6OOH + 0.278*XN - 0.815*XC\n # 1.00e-13;\n IPRD = 1.233*HO2 + 0.467*MECO3 + 0.3*RCO3 + 1.233*CO + 0.3*HCHO +\n 0.467*HOCCHO + 0.233*MEK - 0.233*XC # 1.0/;\n PRD2 + OH = 0.472*HO2 + 0.379*xHO2 + 0.029*xMECO3 + 0.049*xRCO3 +\n 0.473*RO2C + 0.071*RO2XC + 0.071*zRNO3 + 0.002*HCHO + 0.211*xHCHO +\n 0.001*CCHO + 0.083*xCCHO + 0.143*RCHO + 0.402*xRCHO + 0.115*xMEK +\n 0.329*PRD2 + 0.007*xPROD2 + 0.528*yR6OOH + 0.877*XC # 1.55e-11;\n PRD2 = 0.913*xHO2 + 0.4*MECO3 + 0.6*RCO3 + 1.59*RO2C + 0.087*RO2XC +\n 0.087*zRNO3 + 0.303*xHCHO + 0.163*xCCHO + 0.78*xRCHO + yR6OOH -\n 0.091*XC # 4.86e-3/;\n RNO3 + OH = 0.189*HO2 + 0.305*xHO2 + 0.019*NO2 + 0.313*xNO2 +\n 0.976*RO2C + 0.175*RO2XC + 0.175*zRNO3 + 0.011*xHCHO + 0.429*xCCHO +\n 0.001*RCHO + 0.036*xRCHO + 0.004*xACETONE + 0.01*MEK + 0.17*xMEK +\n 0.008*PRD2 + 0.031*xPROD2 + 0.189*RNO3 + 0.305*xRNO3 + 0.157*yROOH +\n 0.636*yR6OOH + 0.174*XN + 0.04*XC # 7.20e-12;\n RNO3 = 0.344*HO2 + 0.554*xHO2 + NO2 + 0.721*RO2C + 0.102*RO2XC +\n 0.102*zRNO3 + 0.074*HCHO + 0.061*xHCHO + 0.214*CCHO + 0.23*xCCHO +\n 0.074*RCHO + 0.063*xRCHO + 0.008*xACETONE + 0.124*MEK + 0.083*xMEK +\n 0.19*PRD2 + 0.261*xPROD2 + 0.066*yROOH + 0.591*yR6OOH + 0.396*XC\n # 1.0/;\n\n HOCCHO = CO + 2*HO2 + HCHO # 1.0/;\n HOCCHO + NO3 = HNO3 + MECO3 # 1.0*K;\n ACROLEIN + OH = 0.25*xHO2 + 0.75*MACO3 + 0.25*RO2C + 0.167*xCO +\n 0.083*xHCHO + 0.167*xCCHO + 0.083*xGLY + 0.25*yROOH - 0.75*XC\n # 1.99e-11;\n ACROLEIN + O3 = 0.83*HO2 + 0.33*OH + 1.005*CO + 0.31*CO2 + 0.5*HCHO +\n 0.185*HCOOH + 0.5*GLY # 1.40e-15@2528;\n ACROLEIN + NO3 = 0.031*xHO2 + 0.967*MACO3 + 0.031*RO2C + 0.002*RO2XC +\n 0.002*zRNO3 + 0.967*HNO3 + 0.031*xCO + 0.031*xRNO3 + 0.033*yROOH +\n 0.002*XN - 1.097*XC # 1.18e-15;\n ACROLEIN + O3P = RCHO # 2.37e-12;\n ACROLEIN = 1.066*HO2 + 0.178*OH + 0.234*MEO2 + 0.33*MACO3 + 1.188*CO +\n 0.102*CO2 + 0.34*HCHO + 0.05*CCOOH - 0.284*XC # 1.0/;\n CCOOOH + OH = 0.98*MECO3 + 0.02*RO2C + 0.02*CO2 + 0.02*xOH + 0.02*xHCHO +\n 0.02*yROOH # 5.28e-12;\n CCOOOH = MEO2 + CO2 + OH # 1.0/;\n RCOOOH + OH = 0.806*RCO3 + 0.194*RO2C + 0.194*yROOH + 0.11*CO2 +\n 0.11*xOH + 0.11*xCCHO + 0.084*xHO2 + 0.084*xRCHO # 6.42e-12;\n RCOOOH = xHO2 + xCCHO + yROOH + CO2 + OH # 1.0/;\n!added reactions for HCOCO3, the Peroxy radical from H-abstraction of glyoxal, GLY\n\n HCOCO3 + NO = HO2 + CO + CO2 + NO2 # 1.0*K;\n HCOCO3 + NO2 = HO2 + CO + CO2 + NO3 # 1.0*K; \n HCOCO3 + HO2 = 0.44*OH + 0.44*HO2 + 0.44*CO + 0.44*CO2 + 0.56*GLY \n + 0.15*O3 # 1.0*K; \n\n xHCHO + NO = NO + HCHO # 1.0*K;\n xHCHO + HO2 = HO2 + XC # 1.0*K;\n xHCHO + NO3 = NO3 + HCHO # 1.0*K;\n xHCHO + MEO2 = MEO2 + 0.5*HCHO + 0.5*XC # 1.0*K;\n xHCHO + RO2C = RO2C + 0.5*HCHO + 0.5*XC # 1.0*K;\n xHCHO + RO2XC = RO2XC + 0.5*HCHO + 0.5*XC # 1.0*K;\n xHCHO + MECO3 = MECO3 + HCHO # 1.0*K;\n xHCHO + RCO3 = RCO3 + HCHO # 1.0*K;\n xHCHO + BZCO3 = BZCO3 + HCHO # 1.0*K;\n xHCHO + MACO3 = MACO3 + HCHO # 1.0*K;\n xCCHO + NO = NO + CCHO # 1.0*K;\n xCCHO + HO2 = HO2 + 2*XC # 1.0*K;\n xCCHO + NO3 = NO3 + CCHO # 1.0*K;\n xCCHO + MEO2 = MEO2 + 0.5*CCHO + XC # 1.0*K;\n xCCHO + RO2C = RO2C + 0.5*CCHO + XC # 1.0*K;\n xCCHO + RO2XC = RO2XC + 0.5*CCHO + XC # 1.0*K;\n xCCHO + MECO3 = MECO3 + CCHO # 1.0*K;\n xCCHO + RCO3 = RCO3 + CCHO # 1.0*K;\n xCCHO + BZCO3 = BZCO3 + CCHO # 1.0*K;\n xCCHO + MACO3 = MACO3 + CCHO # 1.0*K;\n xRCHO + NO = NO + RCHO # 1.0*K;\n xRCHO + HO2 = HO2 + 3*XC # 1.0*K;\n xRCHO + NO3 = NO3 + RCHO # 1.0*K;\n xRCHO + MEO2 = MEO2 + 0.5*RCHO + 1.5*XC # 1.0*K;\n xRCHO + RO2C = RO2C + 0.5*RCHO + 1.5*XC # 1.0*K;\n xRCHO + RO2XC = RO2XC + 0.5*RCHO + 1.5*XC # 1.0*K;\n xRCHO + MECO3 = MECO3 + RCHO # 1.0*K;\n xRCHO + RCO3 = RCO3 + RCHO # 1.0*K;\n xRCHO + BZCO3 = BZCO3 + RCHO # 1.0*K;\n xRCHO + MACO3 = MACO3 + RCHO # 1.0*K;\n xACETONE + NO = NO + ACETONE # 1.0*K;\n xACETONE + HO2 = HO2 + 3*XC # 1.0*K;\n xACETONE + NO3 = NO3 + ACETONE # 1.0*K;\n xACETONE + MEO2 = MEO2 + 0.5*ACETONE + 1.5*XC # 1.0*K;\n xACETONE + RO2C = RO2C + 0.5*ACETONE + 1.5*XC # 1.0*K;\n xACETONE + RO2XC = RO2XC + 0.5*ACETONE + 1.5*XC # 1.0*K;\n xACETONE + MECO3 = MECO3 + ACETONE # 1.0*K;\n xACETONE + RCO3 = RCO3 + ACETONE # 1.0*K;\n xACETONE + BZCO3 = BZCO3 + ACETONE # 1.0*K;\n xACETONE + MACO3 = MACO3 + ACETONE # 1.0*K;\n xMEK + NO = NO + MEK # 1.0*K;\n xMEK + HO2 = HO2 + 4*XC # 1.0*K;\n xMEK + NO3 = NO3 + MEK # 1.0*K;\n xMEK + MEO2 = MEO2 + 0.5*MEK + 2*XC # 1.0*K;\n xMEK + RO2C = RO2C + 0.5*MEK + 2*XC # 1.0*K;\n xMEK + RO2XC = RO2XC + 0.5*MEK + 2*XC # 1.0*K;\n xMEK + MECO3 = MECO3 + MEK # 1.0*K;\n xMEK + RCO3 = RCO3 + MEK # 1.0*K;\n xMEK + BZCO3 = BZCO3 + MEK # 1.0*K;\n xMEK + MACO3 = MACO3 + MEK # 1.0*K;\n xPROD2 + NO = NO + PRD2 # 1.0*K;\n xPROD2 + HO2 = HO2 + 6*XC # 1.0*K;\n xPROD2 + NO3 = NO3 + PRD2 # 1.0*K;\n xPROD2 + MEO2 = MEO2 + 0.5*PRD2 + 3*XC # 1.0*K;\n xPROD2 + RO2C = RO2C + 0.5*PRD2 + 3*XC # 1.0*K;\n xPROD2 + RO2XC = RO2XC + 0.5*PRD2 + 3*XC # 1.0*K;\n xPROD2 + MECO3 = MECO3 + PRD2 # 1.0*K;\n xPROD2 + RCO3 = RCO3 + PRD2 # 1.0*K;\n xPROD2 + BZCO3 = BZCO3 + PRD2 # 1.0*K;\n xPROD2 + MACO3 = MACO3 + PRD2 # 1.0*K;\n xGLY + NO = NO + GLY # 1.0*K;\n xGLY + HO2 = HO2 + 2*XC # 1.0*K;\n xGLY + NO3 = NO3 + GLY # 1.0*K;\n xGLY + MEO2 = MEO2 + 0.5*GLY + XC # 1.0*K;\n xGLY + RO2C = RO2C + 0.5*GLY + XC # 1.0*K;\n xGLY + RO2XC = RO2XC + 0.5*GLY + XC # 1.0*K;\n xGLY + MECO3 = MECO3 + GLY # 1.0*K;\n xGLY + RCO3 = RCO3 + GLY # 1.0*K;\n xGLY + BZCO3 = BZCO3 + GLY # 1.0*K;\n xGLY + MACO3 = MACO3 + GLY # 1.0*K;\n xMGLY + NO = NO + MGLY # 1.0*K;\n xMGLY + HO2 = HO2 + 3*XC # 1.0*K;\n xMGLY + NO3 = NO3 + MGLY # 1.0*K;\n xMGLY + MEO2 = MEO2 + 0.5*MGLY + 1.5*XC # 1.0*K;\n xMGLY + RO2C = RO2C + 0.5*MGLY + 1.5*XC # 1.0*K;\n xMGLY + RO2XC = RO2XC + 0.5*MGLY + 1.5*XC # 1.0*K;\n xMGLY + MECO3 = MECO3 + MGLY # 1.0*K;\n xMGLY + RCO3 = RCO3 + MGLY # 1.0*K;\n xMGLY + BZCO3 = BZCO3 + MGLY # 1.0*K;\n xMGLY + MACO3 = MACO3 + MGLY # 1.0*K;\n xBACL + NO = NO + BACL # 1.0*K;\n xBACL + HO2 = HO2 + 4*XC # 1.0*K;\n xBACL + NO3 = NO3 + BACL # 1.0*K;\n xBACL + MEO2 = MEO2 + 0.5*BACL + 2*XC # 1.0*K;\n xBACL + RO2C = RO2C + 0.5*BACL + 2*XC # 1.0*K;\n xBACL + RO2XC = RO2XC + 0.5*BACL + 2*XC # 1.0*K;\n xBACL + MECO3 = MECO3 + BACL # 1.0*K;\n xBACL + RCO3 = RCO3 + BACL # 1.0*K;\n xBACL + BZCO3 = BZCO3 + BACL # 1.0*K;\n xBACL + MACO3 = MACO3 + BACL # 1.0*K;\n xBALD + NO = NO + BALD # 1.0*K;\n xBALD + HO2 = HO2 + 7*XC # 1.0*K;\n xBALD + NO3 = NO3 + BALD # 1.0*K;\n xBALD + MEO2 = MEO2 + 0.5*BALD + 3.5*XC # 1.0*K;\n xBALD + RO2C = RO2C + 0.5*BALD + 3.5*XC # 1.0*K;\n xBALD + RO2XC = RO2XC + 0.5*BALD + 3.5*XC # 1.0*K;\n xBALD + MECO3 = MECO3 + BALD # 1.0*K;\n xBALD + RCO3 = RCO3 + BALD # 1.0*K;\n xBALD + BZCO3 = BZCO3 + BALD # 1.0*K;\n xBALD + MACO3 = MACO3 + BALD # 1.0*K;\n xAFG1 + NO = NO + AFG1 # 1.0*K;\n xAFG1 + HO2 = HO2 + 5*XC # 1.0*K;\n xAFG1 + NO3 = NO3 + AFG1 # 1.0*K;\n xAFG1 + MEO2 = MEO2 + 0.5*AFG1 + 2.5*XC # 1.0*K;\n xAFG1 + RO2C = RO2C + 0.5*AFG1 + 2.5*XC # 1.0*K;\n xAFG1 + RO2XC = RO2XC + 0.5*AFG1 + 2.5*XC # 1.0*K;\n xAFG1 + MECO3 = MECO3 + AFG1 # 1.0*K;\n xAFG1 + RCO3 = RCO3 + AFG1 # 1.0*K;\n xAFG1 + BZCO3 = BZCO3 + AFG1 # 1.0*K;\n xAFG1 + MACO3 = MACO3 + AFG1 # 1.0*K;\n xAFG2 + NO = NO + AFG2 # 1.0*K;\n xAFG2 + HO2 = HO2 + 5*XC # 1.0*K;\n xAFG2 + NO3 = NO3 + AFG2 # 1.0*K;\n xAFG2 + MEO2 = MEO2 + 0.5*AFG2 + 2.5*XC # 1.0*K;\n xAFG2 + RO2C = RO2C + 0.5*AFG2 + 2.5*XC # 1.0*K;\n xAFG2 + RO2XC = RO2XC + 0.5*AFG2 + 2.5*XC # 1.0*K;\n xAFG2 + MECO3 = MECO3 + AFG2 # 1.0*K;\n xAFG2 + RCO3 = RCO3 + AFG2 # 1.0*K;\n xAFG2 + BZCO3 = BZCO3 + AFG2 # 1.0*K;\n xAFG2 + MACO3 = MACO3 + AFG2 # 1.0*K;\n xAFG3 + NO = NO + AFG3 # 1.0*K;\n xAFG3 + HO2 = HO2 + 7*XC # 1.0*K;\n xAFG3 + NO3 = NO3 + AFG3 # 1.0*K;\n xAFG3 + MEO2 = MEO2 + 0.5*AFG3 + 3.5*XC # 1.0*K;\n xAFG3 + RO2C = RO2C + 0.5*AFG3 + 3.5*XC # 1.0*K;\n xAFG3 + RO2XC = RO2XC + 0.5*AFG3 + 3.5*XC # 1.0*K;\n xAFG3 + MECO3 = MECO3 + AFG3 # 1.0*K;\n xAFG3 + RCO3 = RCO3 + AFG3 # 1.0*K;\n xAFG3 + BZCO3 = BZCO3 + AFG3 # 1.0*K;\n xAFG3 + MACO3 = MACO3 + AFG3 # 1.0*K;\n xMACR + NO = NO + MACR # 1.0*K;\n xMACR + HO2 = HO2 + 4*XC # 1.0*K;\n xMACR + NO3 = NO3 + MACR # 1.0*K;\n xMACR + MEO2 = MEO2 + 0.5*MACR + 2*XC # 1.0*K;\n xMACR + RO2C = RO2C + 0.5*MACR + 2*XC # 1.0*K;\n xMACR + RO2XC = RO2XC + 0.5*MACR + 2*XC # 1.0*K;\n xMACR + MECO3 = MECO3 + MACR # 1.0*K;\n xMACR + RCO3 = RCO3 + MACR # 1.0*K;\n xMACR + BZCO3 = BZCO3 + MACR # 1.0*K;\n xMACR + MACO3 = MACO3 + MACR # 1.0*K;\n xMVK + NO = NO + MVK # 1.0*K;\n xMVK + HO2 = HO2 + 4*XC # 1.0*K;\n xMVK + NO3 = NO3 + MVK # 1.0*K;\n xMVK + MEO2 = MEO2 + 0.5*MVK + 2*XC # 1.0*K;\n xMVK + RO2C = RO2C + 0.5*MVK + 2*XC # 1.0*K;\n xMVK + RO2XC = RO2XC + 0.5*MVK + 2*XC # 1.0*K;\n xMVK + MECO3 = MECO3 + MVK # 1.0*K;\n xMVK + RCO3 = RCO3 + MVK # 1.0*K;\n xMVK + BZCO3 = BZCO3 + MVK # 1.0*K;\n xMVK + MACO3 = MACO3 + MVK # 1.0*K;\n xIPRD + NO = NO + IPRD # 1.0*K;\n xIPRD + HO2 = HO2 + 5*XC # 1.0*K;\n xIPRD + NO3 = NO3 + IPRD # 1.0*K;\n xIPRD + MEO2 = MEO2 + 0.5*IPRD + 2.5*XC # 1.0*K;\n xIPRD + RO2C = RO2C + 0.5*IPRD + 2.5*XC # 1.0*K;\n xIPRD + RO2XC = RO2XC + 0.5*IPRD + 2.5*XC # 1.0*K;\n xIPRD + MECO3 = MECO3 + IPRD # 1.0*K;\n xIPRD + RCO3 = RCO3 + IPRD # 1.0*K;\n xIPRD + BZCO3 = BZCO3 + IPRD # 1.0*K;\n xIPRD + MACO3 = MACO3 + IPRD # 1.0*K;\n xRNO3 + NO = NO + RNO3 # 1.0*K;\n xRNO3 + HO2 = HO2 + 6*XC + XN # 1.0*K;\n xRNO3 + NO3 = NO3 + RNO3 # 1.0*K;\n xRNO3 + MEO2 = MEO2 + 0.5*RNO3 + 0.5*XN + 3*XC # 1.0*K;\n xRNO3 + RO2C = RO2C + 0.5*RNO3 + 0.5*XN + 3*XC # 1.0*K;\n xRNO3 + RO2XC = RO2XC + 0.5*RNO3 + 0.5*XN + 3*XC # 1.0*K;\n xRNO3 + MECO3 = MECO3 + RNO3 # 1.0*K;\n xRNO3 + RCO3 = RCO3 + RNO3 # 1.0*K;\n xRNO3 + BZCO3 = BZCO3 + RNO3 # 1.0*K;\n xRNO3 + MACO3 = MACO3 + RNO3 # 1.0*K;\n xMTNO3 + NO = NO + MTNO3 # 1.0*K;\n xMTNO3 + HO2 = HO2 + 6*XC + XN # 2.65e-13@-1300;\n xMTNO3 + NO3 = NO3 + MTNO3 # 1.0*K;\n xMTNO3 + MEO2 = MEO2 + 0.5*MTNO3 + 0.5*XN + 3*XC # 1.0*K;\n xMTNO3 + RO2C = RO2C + 0.5*MTNO3 + 0.5*XN + 3*XC # 1.0*K;\n xMTNO3 + RO2XC = RO2XC + 0.5*MTNO3 + 0.5*XN + 3*XC # 1.0*K;\n xMTNO3 + MECO3 = MECO3 + MTNO3 # 1.0*K;\n xMTNO3 + RCO3 = RCO3 + MTNO3 # 1.0*K;\n xMTNO3 + BZCO3 = BZCO3 + MTNO3 # 1.0*K;\n xMTNO3 + MACO3 = MACO3 + MTNO3 # 1.0*K;\n xMTNO3 + IMACO3 = MACO3 + MTNO3 # 1.0*K;\n yROOH + NO = NO # 1.0*K;\n yROOH + HO2 = HO2 + ROOH - 3*XC # 1.0*K;\n yROOH + NO3 = NO3 # 1.0*K;\n yROOH + MEO2 = MEO2 + 0.5*MEK - 2*XC # 1.0*K;\n yROOH + RO2C = RO2C + 0.5*MEK - 2*XC # 1.0*K;\n yROOH + RO2XC = RO2XC + 0.5*MEK - 2*XC # 1.0*K;\n yROOH + MECO3 = MECO3 # 1.0*K;\n yROOH + RCO3 = RCO3 # 1.0*K;\n yROOH + BZCO3 = BZCO3 # 1.0*K;\n yROOH + MACO3 = MACO3 # 1.0*K;\n yR6OOH + NO = NO # 1.0*K;\n yR6OOH + HO2 = HO2 + R6OOH - 6*XC # 1.0*K;\n yR6OOH + NO3 = NO3 # 1.0*K;\n yR6OOH + MEO2 = MEO2 + 0.5*PRD2 - 3*XC # 1.0*K;\n yR6OOH + RO2C = RO2C + 0.5*PRD2 - 3*XC # 1.0*K;\n yR6OOH + RO2XC = RO2XC + 0.5*PRD2 - 3*XC # 1.0*K;\n yR6OOH + MECO3 = MECO3 # 1.0*K;\n yR6OOH + RCO3 = RCO3 # 1.0*K;\n yR6OOH + BZCO3 = BZCO3 # 1.0*K;\n yR6OOH + MACO3 = MACO3 # 1.0*K;\n yRAOOH + NO = NO # 1.0*K;\n yRAOOH + HO2 = HO2 + RAOOH - 8*XC # 1.0*K;\n yRAOOH + NO3 = NO3 # 1.0*K;\n yRAOOH + MEO2 = MEO2 + 0.5*PRD2 - 3*XC # 1.0*K;\n yRAOOH + RO2C = RO2C + 0.5*PRD2 - 3*XC # 1.0*K;\n yRAOOH + RO2XC = RO2XC + 0.5*PRD2 - 3*XC # 1.0*K;\n yRAOOH + MECO3 = MECO3 # 1.0*K;\n yRAOOH + RCO3 = RCO3 # 1.0*K;\n yRAOOH + BZCO3 = BZCO3 # 1.0*K;\n yRAOOH + MACO3 = MACO3 # 1.0*K;\n zRNO3 + NO = NO + RNO3 - 1*XN # 1.0*K;\n zRNO3 + HO2 = HO2 + 6*XC # 1.0*K;\n zRNO3 + NO3 = NO3 + PRD2 + HO2 # 1.0*K;\n zRNO3 + MEO2 = MEO2 + 0.5*PRD2 + 0.5*HO2 + 3*XC # 1.0*K;\n zRNO3 + RO2C = RO2C + 0.5*PRD2 + 0.5*HO2 + 3*XC # 1.0*K;\n zRNO3 + RO2XC = RO2XC + 0.5*PRD2 + 0.5*HO2 + 3*XC # 1.0*K;\n zRNO3 + MECO3 = MECO3 + PRD2 + HO2 # 1.0*K;\n zRNO3 + RCO3 = RCO3 + PRD2 + HO2 # 1.0*K;\n zRNO3 + BZCO3 = BZCO3 + PRD2 + HO2 # 1.0*K;\n zRNO3 + MACO3 = MACO3 + PRD2 + HO2 # 1.0*K;\n zMTNO3 + NO = NO + MTNO3 - 1*XN # 1.0*K;\n zMTNO3 + HO2 = HO2 + 6*XC # 2.65e-13@-1300;\n zMTNO3 + NO3 = NO3 + PRD2 + HO2 # 1.0*K;\n zMTNO3 + MEO2 = MEO2 + 0.5*PRD2 + 0.5*HO2 + 3*XC # 1.0*K;\n zMTNO3 + RO2C = RO2C + 0.5*PRD2 + 0.5*HO2 + 3*XC # 1.0*K;\n zMTNO3 + RO2XC = RO2XC + 0.5*PRD2 + 0.5*HO2 + 3*XC # 1.0*K;\n zMTNO3 + MECO3 = MECO3 + PRD2 + HO2 # 1.0*K;\n zMTNO3 + RCO3 = RCO3 + PRD2 + HO2 # 1.0*K;\n zMTNO3 + BZCO3 = BZCO3 + PRD2 + HO2 # 1.0*K;\n zMTNO3 + MACO3 = MACO3 + PRD2 + HO2 # 1.0*K;\n zMTNO3 + IMACO3 = IMACO3 + PRD2 + HO2 # 1.0*K;\n xHOCCHO + NO = NO + HOCCHO # 1.0*K;\n xHOCCHO + HO2 = HO2 + 2*XC # 1.0*K;\n xHOCCHO + NO3 = NO3 + HOCCHO # 1.0*K;\n xHOCCHO + MEO2 = MEO2 + 0.5*HOCCHO + XC # 1.0*K;\n xHOCCHO + RO2C = RO2C + 0.5*HOCCHO + XC # 1.0*K;\n xHOCCHO + RO2XC = RO2XC + 0.5*HOCCHO + XC # 1.0*K;\n xHOCCHO + MECO3 = MECO3 + HOCCHO # 1.0*K;\n xHOCCHO + RCO3 = RCO3 + HOCCHO # 1.0*K;\n xHOCCHO + BZCO3 = BZCO3 + HOCCHO # 1.0*K;\n xHOCCHO + MACO3 = MACO3 + HOCCHO # 1.0*K;\n xACROLEIN + NO = NO + ACROLEIN # 1.0*K;\n xACROLEIN + HO2 = HO2 + 3*XC # 1.0*K;\n xACROLEIN + NO3 = NO3 + ACROLEIN # 1.0*K;\n xACROLEIN + MEO2 = MEO2 + 0.5*ACROLEIN + 1.5*XC # 1.0*K;\n xACROLEIN + RO2C = RO2C + 0.5*ACROLEIN + 1.5*XC # 1.0*K;\n xACROLEIN + RO2XC = RO2XC + 0.5*ACROLEIN + 1.5*XC # 1.0*K;\n xACROLEIN + MECO3 = MECO3 + ACROLEIN # 1.0*K;\n xACROLEIN + RCO3 = RCO3 + ACROLEIN # 1.0*K;\n xACROLEIN + BZCO3 = BZCO3 + ACROLEIN # 1.0*K;\n xACROLEIN + MACO3 = MACO3 + ACROLEIN # 1.0*K;\n CH4 + OH = MEO2 # 1.85e-12@1690;\n ETHENE + OH = xHO2 + RO2C + 1.61*xHCHO + 0.195*xHOCCHO + yROOH\n # 1.00e-28^-4.50&8.80e-12^-0.85&0.60&1.0;\n ETHENE + O3 = 0.16*HO2 + 0.16*OH + 0.51*CO + 0.12*CO2 + HCHO + 0.37*HCOOH\n # 9.14e-15@2580;\n!corrected temperature power\n ETHENE + NO3 = xHO2 + RO2C + xRCHO + yROOH + XN - 1*XC\n # 3.30e-12@2880;\n ETHENE + O3P = 0.8*HO2 + 0.29*xHO2 + 0.51*MEO2 + 0.29*RO2C + 0.51*CO +\n 0.278*xCO + 0.278*xHCHO + 0.1*CCHO + 0.012*xGLY + 0.29*yROOH + 0.2*XC\n # 1.07e-11@800;\n PROPENE + OH = 0.984*xHO2 + 0.984*RO2C + 0.016*RO2XC + 0.016*zRNO3 +\n 0.984*xHCHO + 0.984*xCCHO + yROOH - 0.048*XC # 4.85e-12@-504;\n PROPENE + O3 = 0.165*HO2 + 0.35*OH + 0.355*MEO2 + 0.525*CO + 0.215*CO2 +\n 0.5*HCHO + 0.5*CCHO + 0.185*HCOOH + 0.075*CCOOH + 0.07*XC\n # 5.51e-15@1878;\n PROPENE + NO3 = 0.949*xHO2 + 0.949*RO2C + 0.051*RO2XC + 0.051*zRNO3 +\n yROOH + XN + 2.694*XC # 4.59e-13@1156;\n PROPENE + O3P = 0.45*RCHO + 0.55*MEK - 0.55*XC # 1.02e-11@280;\n BUTADIENE13 + OH = 0.951*xHO2 + 1.189*RO2C + 0.049*RO2XC + 0.049*zRNO3 +\n 0.708*xHCHO + 0.58*xACROLEIN + 0.471*xIPRD + yROOH - 0.797*XC\n # 1.48e-11@-448;\n BUTADIENE13 + O3 = 0.08*HO2 + 0.08*OH + 0.255*CO + 0.185*CO2 + 0.5*HCHO\n + 0.185*HCOOH + 0.5*ACROLEIN + 0.375*MVK + 0.125*PRD2 - 0.875*XC\n # 1.34e-14@2283;\n BUTADIENE13 + NO3 = 0.815*xHO2 + 0.12*xNO2 + 1.055*RO2C + 0.065*RO2XC +\n 0.065*zRNO3 + 0.115*xHCHO + 0.46*xMVK + 0.12*xIPRD + 0.355*xRNO3 +\n yROOH + 0.525*XN - 1.075*XC # 1.00e-13;\n BUTADIENE13 + O3P = 0.25*HO2 + 0.117*xHO2 + 0.118*xMACO3 + 0.235*RO2C +\n 0.015*RO2XC + 0.015*zRNO3 + 0.115*xCO + 0.115*xACROLEIN + 0.001*xAFG1 +\n 0.001*xAFG2 + 0.75*PRD2 + 0.25*yROOH - 1.532*XC # 2.26e-11@40;\n ISOPRENE + O3 = 0.066*HO2 + 0.266*OH + 0.192*xMACO3 + 0.192*RO2C +\n 0.008*RO2XC + 0.008*zRNO3 + 0.275*CO + 0.122*CO2 + 0.4*HCHO +\n 0.192*xHCHO + 0.204*HCOOH + 0.39*MACR + 0.16*MVK + 0.15*IPRD +\n 0.1*PRD2 + 0.2*yR6OOH - 0.559*XC # 7.86e-15@1912;\n ISOPRENE + O3P = 0.25*MEO2 + 0.24*xMACO3 + 0.24*RO2C + 0.01*RO2XC +\n 0.01*zRNO3 + 0.24*xHCHO + 0.75*PRD2 + 0.25*yR6OOH - 1.01*XC\n # 3.50e-11;\n\n APIN + OH = 0.799*xHO2 + 0.004*xRCO3 + 1.042*RO2C + 0.197*RO2XC +\n 0.197*zRNO3 + 0.002*xCO + 0.022*xHCHO + 0.776*xRCHO + 0.034*xACETONE +\n 0.02*xMGLY + 0.023*xBACL + yR6OOH + TRPRXN + 6.2*XC # 1.21e-11@-436;\n APIN + O3 = 0.009*HO2 + 0.102*xHO2 + 0.728*OH + 0.001*xMECO3 +\n 0.297*xRCO3 + 1.511*RO2C + 0.337*RO2XC + 0.337*zRNO3 + 0.029*CO +\n 0.051*xCO + 0.017*CO2 + 0.344*xHCHO + 0.24*xRCHO + 0.345*xACETONE +\n 0.008*MEK + 0.002*xGLY + 0.081*xBACL + 0.255*PRD2 + 0.737*yR6OOH +\n TRPRXN + 2.999*XC # 5.00e-16@530;\n APIN + NO3 = 0.056*xHO2 + 0.643*xNO2 + 0.007*xRCO3 + 1.05*RO2C +\n 0.293*RO2XC + 0.293*zRNO3 + 0.005*xCO + 0.007*xHCHO + 0.684*xRCHO +\n 0.069*xACETONE + 0.002*xMGLY + 0.056*xRNO3 + yR6OOH + 0.301*XN\n + 5.608*XC # 1.19e-12@-490;\n APIN + O3P = PRD2 + TRPRXN + 4*XC # 3.20e-11;\n! correct the below B10 rate constant so infinity rate has temperature depedence\n ACETYLENE + OH = 0.3*HO2 + 0.7*OH + 0.3*CO + 0.3*HCOOH + 0.7*GLY\n # 5.50e-30&8.30e-13^-2.00&0.60&1.0;\n ACETYLENE + O3 = 1.5*HO2 + 0.5*OH + 1.5*CO + 0.5*CO2 # 1.00e-14@4100;\n BENZENE + OH = 0.57*HO2 + 0.29*xHO2 + 0.116*OH + 0.29*RO2C + 0.024*RO2XC\n + 0.024*zRNO3 + 0.29*xGLY + 0.57*CRES + 0.029*xAFG1 + 0.261*xAFG2 +\n 0.116*AFG3 + 0.314*yRAOOH + BENZRO2 - 0.976*XC # 2.33e-12@193;\n TOLUENE + OH = 0.181*HO2 + 0.454*xHO2 + 0.312*OH + 0.454*RO2C +\n 0.054*RO2XC + 0.054*zRNO3 + 0.238*xGLY + 0.151*xMGLY + 0.181*CRES +\n 0.065*xBALD + 0.195*xAFG1 + 0.195*xAFG2 + 0.312*AFG3 + 0.073*yR6OOH +\n 0.435*yRAOOH + TOLRO2 - 0.109*XC # 1.81e-12@-338;\n MXYL + OH = 0.159*HO2 + 0.52*xHO2 + 0.239*OH + 0.52*RO2C + 0.082*RO2XC +\n 0.082*zRNO3 + 0.1*xGLY + 0.38*xMGLY + 0.159*CRES + 0.041*xBALD +\n 0.336*xAFG1 + 0.144*xAFG2 + 0.239*AFG3 + 0.047*yR6OOH + 0.555*yRAOOH +\n XYLRO2 + 0.695*XC # 2.31e-11;\n OXYL + OH = 0.161*HO2 + 0.554*xHO2 + 0.198*OH + 0.554*RO2C +\n 0.087*RO2XC + 0.087*zRNO3 + 0.084*xGLY + 0.238*xMGLY + 0.185*xBACL +\n 0.161*CRES + 0.047*xBALD + 0.253*xAFG1 + 0.253*xAFG2 + 0.198*AFG3 +\n 0.055*yR6OOH + 0.586*yRAOOH + XYLRO2 + 0.484*XC # 1.36e-11;\n PXYL + OH = 0.159*HO2 + 0.487*xHO2 + 0.278*OH + 0.487*RO2C +\n 0.076*RO2XC + 0.076*zRNO3 + 0.286*xGLY + 0.112*xMGLY + 0.159*CRES +\n 0.088*xBALD + 0.045*xAFG1 + 0.067*xAFG2 + 0.278*AFG3 + 0.286*xAFG3 +\n 0.102*yR6OOH + 0.461*yRAOOH + XYLRO2 + 0.399*XC # 1.43e-11;\n TMBENZ124 + OH = 0.022*HO2 + 0.627*xHO2 + 0.23*OH + 0.627*RO2C +\n 0.121*RO2XC + 0.121*zRNO3 + 0.074*xGLY + 0.405*xMGLY + 0.112*xBACL +\n 0.022*CRES + 0.036*xBALD + 0.088*xAFG1 + 0.352*xAFG2 + 0.23*AFG3 +\n 0.151*xAFG3 + 0.043*yR6OOH + 0.705*yRAOOH + XYLRO2 + \n 1.19*XC # 3.25e-11;\n ETOH + OH = 0.95*HO2 + 0.05*xHO2 + 0.05*RO2C + 0.081*xHCHO + 0.95*CCHO +\n 0.01*xHOCCHO + 0.05*yROOH - 0.001*XC # 5.49e-13^2.00@-530;\n ALK1 + OH = xHO2 + RO2C + xCCHO + yROOH # 1.34e-12^2.00@499;\n ALK2 + OH = 0.965*xHO2 + 0.965*RO2C + 0.035*RO2XC + 0.035*zRNO3 +\n 0.261*xRCHO + 0.704*xACETONE + yROOH - 0.105*XC # 1.49e-12^2.00@87;\n ALK3 + OH = 0.695*xHO2 + 0.236*xTBUO + 1.253*RO2C + 0.07*RO2XC +\n 0.07*zRNO3 + 0.026*xHCHO + 0.445*xCCHO + 0.122*xRCHO +\n 0.024*xACETONE + 0.332*xMEK + 0.983*yROOH + 0.017*yR6OOH -\n 0.046*XC # 1.51e-12@-126;\n ALK4 + OH = 0.83*xHO2 + 0.01*xMEO2 + 0.011*xMECO3 + 1.763*RO2C +\n 0.149*RO2XC + 0.149*zRNO3 + 0.002*xCO + 0.029*xHCHO + 0.438*xCCHO +\n 0.236*xRCHO + 0.426*xACETONE + 0.106*xMEK + 0.146*xPROD2 + yR6OOH - \n 0.119*XC # 3.75e-12@-44;\n ALK5 + OH = 0.647*xHO2 + 1.605*RO2C + 0.353*RO2XC + 0.353*zRNO3 +\n 0.04*xHCHO + 0.106*xCCHO + 0.209*xRCHO + 0.071*xACETONE + 0.086*xMEK +\n 0.407*xPROD2 + yR6OOH + 2.004*XC # 2.70e-12@-374;\n SOAALK + OH = OH + 0.006*SVAVB2 + 0.052*SVAVB3 + \n 0.081*SVAVB4 # 2.70e-12@-374;\n OLE1 + OH = 0.871*xHO2 + 0.001*xMEO2 + 1.202*RO2C + 0.128*RO2XC +\n 0.128*zRNO3 + 0.582*xHCHO + 0.01*xCCHO + 0.007*xHOCCHO + 0.666*xRCHO +\n 0.007*xACETONE + 0.036*xACROLEIN + 0.001*xMACR + 0.012*xMVK +\n 0.009*xIPRD + 0.168*xPROD2 + 0.169*yROOH + 0.831*yR6OOH +\n 0.383*XC # 6.72e-12@-501;\n OLE1 + O3 = 0.095*HO2 + 0.057*xHO2 + 0.128*OH + 0.09*RO2C +\n 0.005*RO2XC + 0.005*zRNO3 + 0.303*CO + 0.088*CO2 + 0.5*HCHO +\n 0.011*xCCHO + 0.5*RCHO + 0.044*xRCHO + 0.003*xACETONE + 0.009*MEK +\n 0.185*HCOOH + 0.159*RCOOH + 0.268*PRD2 + 0.011*yROOH + 0.052*yR6OOH +\n 0.11*XC # 3.19e-15@1701;\n OLE1 + NO3 = 0.772*xHO2 + 1.463*RO2C + 0.228*RO2XC + 0.228*zRNO3 +\n 0.013*xCCHO + 0.003*xRCHO + 0.034*xACETONE + 0.774*xRNO3 +\n 0.169*yROOH + 0.831*yR6OOH + 0.226*XN - 1.149*XC # 5.37e-13@1047;\n OLE1 + O3P = 0.45*RCHO + 0.39*MEK + 0.16*PRD2 + 1.13*XC # 1.61e-11@326;\n OLE2 + OH = 0.912*xHO2 + 0.953*RO2C + 0.088*RO2XC + 0.088*zRNO3 +\n 0.179*xHCHO + 0.835*xCCHO + 0.51*xRCHO + 0.144*xACETONE + 0.08*xMEK +\n 0.002*xMVK + 0.012*xIPRD + 0.023*xPROD2 + 0.319*yROOH + 0.681*yR6OOH +\n 0.135*XC # 1.26e-11@-488;\n OLE2 + O3 = 0.094*HO2 + 0.041*xHO2 + 0.443*OH + 0.307*MEO2 +\n 0.156*xMECO3 + 0.008*xRCO3 + 0.212*RO2C + 0.003*RO2XC + 0.003*zRNO3 +\n 0.299*CO + 0.161*CO2 + 0.131*HCHO + 0.114*xHCHO + 0.453*CCHO +\n 0.071*xCCHO + 0.333*RCHO + 0.019*xRCHO + 0.051*ACETONE + 0.033*MEK +\n 0.001*xMEK + 0.024*HCOOH + 0.065*CCOOH + 0.235*RCOOH + 0.037*PRD2 +\n 0.073*yROOH + 0.136*yR6OOH + 0.16*XC # 8.59e-15@1255;\n OLE2 + NO3 = 0.4*xHO2 + 0.426*xNO2 + 0.035*xMEO2 + 1.193*RO2C +\n 0.14*RO2XC + 0.14*zRNO3 + 0.072*xHCHO + 0.579*xCCHO + 0.163*xRCHO +\n 0.116*xACETONE + 0.002*xMEK + 0.32*xRNO3 + 0.319*yROOH + 0.681*yR6OOH +\n 0.254*XN + 0.13*XC # 2.31e-13@-382;\n OLE2 + O3P = 0.079*RCHO + 0.751*MEK + 0.17*PRD2 + 0.739*XC\n # 1.43e-11@-111;\n ARO1 + OH = 0.123*HO2 + 0.566*xHO2 + 0.202*OH + 0.566*RO2C + 0.11*RO2XC +\n 0.11*zRNO3 + 0.158*xGLY + 0.1*xMGLY + 0.123*CRES + 0.072*xAFG1 +\n 0.185*xAFG2 + 0.202*AFG3 + 0.309*xPROD2 + 0.369*yR6OOH + TOLRO2 +\n 0.31*XC # 7.84e-12;\n ARO2MN + OH = 0.077*HO2 + 0.617*xHO2 + 0.178*OH + 0.617*RO2C +\n 0.128*RO2XC + 0.128*zRNO3 + 0.088*xGLY + 0.312*xMGLY + 0.134*xBACL +\n 0.077*CRES + 0.026*xBALD + 0.221*xAFG1 + 0.247*xAFG2 + 0.178*AFG3 +\n 0.068*xAFG3 + 0.057*xPROD2 + 0.101*yR6OOH + XYLRO2 +\n 1.459*XC # 3.09e-11;\n NAPHTHAL + OH = 0.077*HO2 + 0.617*xHO2 + 0.178*OH + 0.617*RO2C +\n 0.128*RO2XC + 0.128*zRNO3 + 0.088*xGLY + 0.312*xMGLY + 0.134*xBACL +\n 0.077*CRES + 0.026*xBALD + 0.221*xAFG1 + 0.247*xAFG2 + 0.178*AFG3 +\n 0.068*xAFG3 + 0.057*xPROD2 + 0.101*yR6OOH + PAHRO2 +\n 1.459*XC # 3.09e-11;\n TERP + OH = 0.734*xHO2 + 0.064*xRCO3 + 1.211*RO2C + 0.201*RO2XC +\n 0.201*zMTNO3 + 0.001*xCO + 0.411*xHCHO + 0.385*xRCHO + 0.037*xACETONE +\n 0.007*xMEK + 0.003*xMGLY + 0.009*xBACL + 0.003*xMVK + 0.002*xIPRD +\n 0.409*xPROD2 + yR6OOH + TRPRXN + 4.375*XC # 2.27e-11@-435;\n TERP + O3 = 0.078*HO2 + 0.046*xHO2 + 0.499*OH + 0.202*xMECO3 +\n 0.059*xRCO3 + 0.49*RO2C + 0.121*RO2XC + 0.121*zMTNO3 + 0.249*CO +\n 0.063*CO2 + 0.127*HCHO + 0.033*xHCHO + 0.208*xRCHO + 0.057*xACETONE +\n 0.002*MEK + 0.172*HCOOH + 0.068*RCOOH + 0.003*xMGLY + 0.039*xBACL +\n 0.002*xMACR + 0.001*xIPRD + 0.502*PRD2 + 0.428*yR6OOH + TRPRXN + \n 3.852*XC # 8.28e-16@785;\n TERP + NO3 = TERPNRO2 # 1.33e-12@-490;\n TERPNRO2 + NO = 0.827*NO2 + 0.688*MTNO3 + 0.424*RO2C + 0.227*HO2 +\n 0.026*RCO3 + 0.012*CO + 0.023*HCHO + 0.002*HOCCHO + 0.403*RCHO + \n 0.239*ACETONE + 0.005*MACR + 0.001*MVK + 0.004*IPRD + 0.485*XN + \n 1.035*XC # 1.0*K;\n TERPNRO2 + HO2 = 1.0*MTNO3 # 2.65e-13@-1300;\n TERPNRO2 + NO3 = 1.531*NO2 + 0.422*MTNO3 + 0.786*RO2C + 0.420*HO2 +\n 0.048*RCO3 + 0.022*CO + 0.043*HCHO + 0.004*HOCCHO + 0.746*RCHO + \n 0.443*ACETONE + 0.009*MACR + 0.002*MVK + 0.007*IPRD + 0.047*XN + \n 1.917*XC # 1.0*K;\n TERPNRO2 + MEO2 = 0.266*NO2 + 0.711*MTNO3 + 0.393*RO2C + 0.710*HO2 +\n 0.024*RCO3 + 0.011*CO + 0.772*HCHO + 0.002*HOCCHO + 0.373*RCHO + \n 0.222*ACETONE + 0.005*MACR + 0.001*MVK + 0.004*IPRD + 0.024*XN + \n 0.959*XC + 0.250*MEOH # 1.0*K;\n TERPNRO2 + RO2C = 0.266*NO2 + 0.711*MTNO3 + 0.393*RO2C + 0.210*HO2 +\n 0.024*RCO3 + 0.011*CO + 0.022*HCHO + 0.002*HOCCHO + 0.373*RCHO + \n 0.222*ACETONE + 0.005*MACR + 0.001*MVK + 0.004*IPRD + 0.024*XN + \n 0.959*XC # 1.0*K;\n TERPNRO2 + RO2XC = 0.266*NO2 + 0.711*MTNO3 + 0.393*RO2C + 0.210*HO2 +\n 0.024*RCO3 + 0.011*CO + 0.022*HCHO + 0.002*HOCCHO + 0.373*RCHO + \n 0.222*ACETONE + 0.005*MACR + 0.001*MVK + 0.004*IPRD + 0.024*XN + \n 0.959*XC # 1.0*K;\n TERPNRO2 + MECO3 = 0.531*NO2 + 0.422*MTNO3 + 0.786*RO2C + 0.420*HO2 +\n 0.048*RCO3 + 0.022*CO + 0.043*HCHO + 0.004*HOCCHO + 0.746*RCHO + \n 0.443*ACETONE + 0.009*MACR + 0.002*MVK + 0.007*IPRD + 0.047*XN + \n 1.917*XC + MEO2 + CO2 # 1.0*K;\n TERPNRO2 + RCO3 = 0.531*NO2 + 0.422*MTNO3 + 1.786*RO2C + 0.420*HO2 +\n 0.048*RCO3 + 0.022*CO + 0.043*HCHO + 0.004*HOCCHO + 0.746*RCHO + \n 0.443*ACETONE + 0.009*MACR + 0.002*MVK + 0.007*IPRD + 0.047*XN + \n 1.917*XC + CO2 + xHO2 + xCCHO + yROOH # 1.0*K;\n TERPNRO2 + BZCO3 = 0.531*NO2 + 0.422*MTNO3 + 1.786*RO2C + 0.420*HO2 +\n 0.048*RCO3 + 0.022*CO + 0.043*HCHO + 0.004*HOCCHO + 0.746*RCHO + \n 0.443*ACETONE + 0.009*MACR + 0.002*MVK + 0.007*IPRD + 0.047*XN + \n 1.917*XC + CO2 + BZO # 1.0*K;\n TERPNRO2 + MACO3 = 1.0*CO2 + 1.0*HCHO + 1.0*MECO3 +\n 0.786*RO2C + 0.420*HO2 + 0.531*NO2 + 0.048*RCO3 + 0.022*CO +\n 0.043*HCHO + 0.004*HOCCHO + 0.746*RCHO + 0.443*ACETONE + 0.009*MACR +\n 0.002*MVK + 0.007*IPRD + 0.422*MTNO3 + 0.047*XN + \n 1.917*XC # 1.0*K;\n TERPNRO2 + IMACO3 = 1.0*CO2 + 1.0*HCHO + 1.0*MECO3 +\n 0.786*RO2C + 0.420*HO2 + 0.531*NO2 + 0.048*RCO3 + 0.022*CO +\n 0.043*HCHO + 0.004*HOCCHO + 0.746*RCHO + 0.443*ACETONE + 0.009*MACR +\n 0.002*MVK + 0.007*IPRD + 0.422*MTNO3 + 0.047*XN + \n 1.917*XC # 1.0*K;\n TERP + O3P = 0.237*RCHO + 0.763*PRD2 + TRPRXN + 4.711*XC # 4.02e-11;\n SESQ + OH = 0.734*xHO2 + 0.064*xRCO3 + 1.211*RO2C + 0.201*RO2XC +\n 0.201*zRNO3 + 0.001*xCO + 0.411*xHCHO + 0.385*xRCHO + 0.037*xACETONE +\n 0.007*xMEK + 0.003*xMGLY + 0.009*xBACL + 0.003*xMVK + 0.002*xIPRD +\n 0.409*xPROD2 + yR6OOH + SESQRXN + 9.375*XC # 1.0*K;\n SESQ + O3 = 0.078*HO2 + 0.046*xHO2 + 0.499*OH + 0.202*xMECO3 +\n 0.059*xRCO3 + 0.49*RO2C + 0.121*RO2XC + 0.121*zRNO3 + 0.249*CO +\n 0.063*CO2 + 0.127*HCHO + 0.033*xHCHO + 0.208*xRCHO + 0.057*xACETONE +\n 0.002*MEK + 0.172*HCOOH + 0.068*RCOOH + 0.003*xMGLY + 0.039*xBACL +\n 0.002*xMACR + 0.001*xIPRD + 0.502*PRD2 + 0.428*yR6OOH + SESQRXN + \n 8.852*XC # 1.0*K;\n SESQ + NO3 = 0.227*xHO2 + 0.287*xNO2 + 0.026*xRCO3 + 1.786*RO2C +\n 0.46*RO2XC + 0.46*zRNO3 + 0.012*xCO + 0.023*xHCHO + 0.002*xCCHO +\n 0.403*xRCHO + 0.239*xACETONE + 0.005*xMACR + 0.001*xMVK + 0.004*xIPRD +\n 0.228*xRNO3 + yR6OOH + SESQRXN + 0.485*XN + 8.785*XC # 1.0*K;\n SESQ + O3P = 0.237*RCHO + 0.763*PRD2 + SESQRXN + 9.711*XC # 1.0*K;\n CL2 = 2*CL # 1.0/;\n CL + NO + M = CLNO # 7.60e-32^-1.80;\n CLNO = CL + NO # 1.0/;\n CL + NO2 = CLONO # 1.30e-30^-2.00&1.00e-10^-1.00&0.60&1.0;\n CL + NO2 = CLNO2 # 1.80e-31^-2.00&1.00e-10^-1.00&0.60&1.0;\n CLONO = CL + NO2 # 1.0/;\n CLNO2 = CL + NO2 # 1.0/;\n CL + HO2 = HCL # 3.44e-11^-0.56;\n CL + HO2 = CLO + OH # 9.41e-12^2.10;\n CL + O3 = CLO # 2.80e-11@250;\n CL + NO3 = CLO + NO2 # 2.40e-11;\n CLO + NO = CL + NO2 # 6.20e-12@-295;\n CLO + NO2 = CLONO2 # 1.80e-31^-3.40&1.50e-11^-1.90&0.60&1.0;\n CLONO2 = CLO + NO2 # 1.0/;\n CLONO2 = CL + NO3 # 1.0/;\n CLONO2 = CLO + NO2 # 4.48e-05^-1.00@12530&3.71e+15^3.50@12530&0.60&1.0;\n CL + CLONO2 = CL2 + NO3 # 6.20e-12@-145;\n CLO + HO2 = HOCL # 2.20e-12@-340;\n HOCL = OH + CL # 1.0/;\n CLO + CLO = 0.29*CL2 + 1.42*CL # 1.25e-11@1960;\n OH + HCL = CL # 1.70e-12@230;\n CL + H2 = HCL + HO2 # 3.90e-11@2310;\n HCHO + CL = HCL + HO2 + CO # 8.10e-11@30;\n CCHO + CL = HCL + MECO3 # 8.00e-11;\n MEOH + CL = HCL + HCHO + HO2 # 5.50e-11;\n RCHO + CL = HCL + 0.9*RCO3 + 0.1*RO2C + 0.1*xCCHO + 0.1*xCO + 0.1*xHO2 +\n 0.1*yROOH # 1.23e-10;\n ACETONE + CL = HCL + RO2C + xHCHO + xMECO3 + yROOH # 7.70e-11@1000;\n MEK + CL = HCL + 0.975*RO2C + 0.039*RO2XC + 0.039*zRNO3 + 0.84*xHO2 +\n 0.085*xMECO3 + 0.036*xRCO3 + 0.065*xHCHO + 0.07*xCCHO + 0.84*xRCHO +\n yROOH + 0.763*XC # 3.60e-11;\n RNO3 + CL = HCL + 0.038*NO2 + 0.055*HO2 + 1.282*RO2C + 0.202*RO2XC +\n 0.202*zRNO3 + 0.009*RCHO + 0.018*MEK + 0.012*PRD2 + 0.055*RNO3 +\n 0.159*xNO2 + 0.547*xHO2 + 0.045*xHCHO + 0.3*xCCHO + 0.02*xRCHO +\n 0.003*xACETONE + 0.041*xMEK + 0.046*xPROD2 + 0.547*xRNO3 +\n 0.908*yR6OOH + 0.201*XN - 0.149*XC # 1.92e-10;\n PRD2 + CL = HCL + 0.314*HO2 + 0.68*RO2C + 0.116*RO2XC + 0.116*zRNO3 +\n 0.198*RCHO + 0.116*PRD2 + 0.541*xHO2 + 0.007*xMECO3 + 0.022*xRCO3 +\n 0.237*xHCHO + 0.109*xCCHO + 0.591*xRCHO + 0.051*xMEK + 0.04*xPROD2 +\n 0.686*yR6OOH + 1.262*XC # 2.00e-10;\n GLY + CL = HCL + 0.63*HO2 + 1.26*CO + 0.37*RCO3 - 0.37*XC\n # 8.10e-11@30;\n MGLY + CL = HCL + CO + MECO3 # 8.00e-11;\n CRES + CL = HCL + xHO2 + xBALD + yR6OOH # 6.20e-11;\n BALD + CL = HCL + BZCO3 # 8.00e-11;\n ROOH + CL = HCL + 0.414*OH + 0.588*RO2C + 0.414*RCHO + 0.104*xOH +\n 0.482*xHO2 + 0.106*xHCHO + 0.104*xCCHO + 0.197*xRCHO + 0.285*xMEK +\n 0.586*yROOH - 0.287*XC # 1.66e-10;\n R6OOH + CL = HCL + 0.145*OH + 1.078*RO2C + 0.117*RO2XC + 0.117*zRNO3 +\n 0.145*PRD2 + 0.502*xOH + 0.237*xHO2 + 0.186*xCCHO + 0.676*xRCHO +\n 0.28*xPROD2 + 0.855*yR6OOH + 0.348*XC # 3.00e-10;\n RAOOH + CL = 0.404*HCL + 0.139*OH + 0.148*HO2 + 0.589*RO2C +\n 0.124*RO2XC + 0.124*zRNO3 + 0.074*PRD2 + 0.147*MGLY + 0.139*IPRD +\n 0.565*xHO2 + 0.024*xOH + 0.448*xRCHO + 0.026*xGLY + 0.03*xMEK +\n 0.252*xMGLY + 0.073*xAFG1 + 0.073*xAFG2 + 0.713*yR6OOH + 2.674*XC\n # 4.29e-10;\n ACROLEIN + CL = 0.484*xHO2 + 0.274*xCL + 0.216*MACO3 + 1.032*RO2C +\n 0.026*RO2XC + 0.026*zRNO3 + 0.216*HCL + 0.484*xCO + 0.274*xHCHO +\n 0.274*xGLY + 0.484*xCLCCHO + 0.784*yROOH - 0.294*XC # 2.94e-10;\n MVK + CL = 1.283*RO2C + 0.053*RO2XC + 0.053*zRNO3 + 0.322*xHO2 +\n 0.625*xMECO3 + 0.947*xCLCCHO + yROOH + 0.538*XC # 2.32e-10;\n IPRD + CL = 0.401*HCL + 0.084*HO2 + 0.154*MACO3 + 0.73*RO2C +\n 0.051*RO2XC + 0.051*zRNO3 + 0.042*AFG1 + 0.042*AFG2 + 0.712*xHO2 +\n 0.498*xCO + 0.195*xHCHO + 0.017*xMGLY + 0.009*xAFG1 + 0.009*xAFG2 +\n 0.115*xIPRD + 0.14*xCLCCHO + 0.42*xCLACET + 0.762*yR6OOH + 0.709*XC\n # 4.12e-10;\n CLCCHO = HO2 + CO + RO2C + xCL + xHCHO + yROOH # 1.0/;\n CLCCHO + OH = RCO3 - 1*XC # 3.10e-12;\n CLCCHO + CL = HCL + RCO3 - 1*XC # 1.29e-11;\n CLACET = MECO3 + RO2C + xCL + xHCHO + yROOH # 5.00e-1/;\n xCL + NO = NO + CL # 1.0*K;\n xCL + HO2 = HO2 # 1.0*K;\n xCL + NO3 = NO3 + CL # 1.0*K;\n xCL + MEO2 = MEO2 + 0.5*CL # 1.0*K;\n xCL + RO2C = RO2C + 0.5*CL # 1.0*K;\n xCL + RO2XC = RO2XC + 0.5*CL # 1.0*K;\n xCL + MECO3 = MECO3 + CL # 1.0*K;\n xCL + RCO3 = RCO3 + CL # 1.0*K;\n xCL + BZCO3 = BZCO3 + CL # 1.0*K;\n xCL + MACO3 = MACO3 + CL # 1.0*K;\n xCLCCHO + NO = NO + CLCCHO # 1.0*K;\n xCLCCHO + HO2 = HO2 + 2*XC # 1.0*K;\n xCLCCHO + NO3 = NO3 + CLCCHO # 1.0*K;\n xCLCCHO + MEO2 = MEO2 + 0.5*CLCCHO + XC # 1.0*K;\n xCLCCHO + RO2C = RO2C + 0.5*CLCCHO + XC # 1.0*K;\n xCLCCHO + RO2XC = RO2XC + 0.5*CLCCHO + XC # 1.0*K;\n xCLCCHO + MECO3 = MECO3 + CLCCHO # 1.0*K;\n xCLCCHO + RCO3 = RCO3 + CLCCHO # 1.0*K;\n xCLCCHO + BZCO3 = BZCO3 + CLCCHO # 1.0*K;\n xCLCCHO + MACO3 = MACO3 + CLCCHO # 1.0*K;\n xCLACET + NO = NO + CLACET # 1.0*K;\n xCLACET + HO2 = HO2 + 3*XC # 1.0*K;\n xCLACET + NO3 = NO3 + CLACET # 1.0*K;\n xCLACET + MEO2 = MEO2 + 0.5*CLACET + 1.5*XC # 1.0*K;\n xCLACET + RO2C = RO2C + 0.5*CLACET + 1.5*XC # 1.0*K;\n xCLACET + RO2XC = RO2XC + 0.5*CLACET + 1.5*XC # 1.0*K;\n xCLACET + MECO3 = MECO3 + CLACET # 1.0*K;\n xCLACET + RCO3 = RCO3 + CLACET # 1.0*K;\n xCLACET + BZCO3 = BZCO3 + CLACET # 1.0*K;\n xCLACET + MACO3 = MACO3 + CLACET # 1.0*K;\n CH4 + CL = HCL + MEO2 # 7.30e-12@1280;\n ETHENE + CL = xHO2 + 2*RO2C + xHCHO + CLCHO\n # 1.60e-29^-3.30&3.10e-10^-1.00&0.60&1.0;\n PROPENE + CL = 0.124*HCL + 0.971*xHO2 + 0.971*RO2C + 0.029*RO2XC +\n 0.029*zRNO3 + 0.124*xACROLEIN + 0.306*xCLCCHO + 0.54*xCLACET + yROOH +\n 0.222*XC # 2.67e-10;\n BUTADIENE13 + CL = 0.39*xHO2 + 0.541*xCL + 1.884*RO2C + 0.069*RO2XC +\n 0.069*zRNO3 + 0.863*xHCHO + 0.457*xACROLEIN + 0.473*xIPRD + yROOH -\n 1.013*XC # 4.90e-10;\n ISOPRENE + CL = 0.15*HCL + 0.738*xHO2 + 0.177*xCL + 1.168*RO2C +\n 0.085*RO2XC + 0.085*zRNO3 + 0.275*xHCHO + 0.177*xMVK + 0.671*xIPRD +\n 0.067*xCLCCHO + yR6OOH + 0.018*XC # 4.80e-10;\n APIN + CL = 0.548*HCL + 0.252*xHO2 + 0.068*xCL + 0.034*xMECO3 +\n 0.05*xRCO3 + 0.016*xMACO3 + 2.258*RO2C + 0.582*RO2XC + 0.582*zRNO3 +\n 0.035*xCO + 0.158*xHCHO + 0.185*xRCHO + 0.274*xACETONE + 0.007*xGLY +\n 0.003*xBACL + 0.003*xMVK + 0.158*xIPRD + 0.006*xAFG1 + 0.006*xAFG2 +\n 0.001*xAFG3 + 0.109*xCLCCHO + yR6OOH + 3.543*XC # 5.46e-10;\n ACETYLENE + CL = HO2 + CO + XC # 5.20e-30^-2.40&2.20e-10&0.60&1.0;\n TOLUENE + CL = 0.894*xHO2 + 0.894*RO2C + 0.106*RO2XC + 0.106*zRNO3 +\n 0.894*xBALD + 0.106*XC # 6.20e-11;\n MXYL + CL = 0.864*xHO2 + 0.864*RO2C + 0.136*RO2XC + 0.136*zRNO3 +\n 0.864*xBALD + 1.136*XC # 1.35e-10;\n OXYL + CL = 0.864*xHO2 + 0.864*RO2C + 0.136*RO2XC + 0.136*zRNO3 +\n 0.864*xBALD + 1.136*XC # 1.40e-10;\n PXYL + CL = 0.864*xHO2 + 0.864*RO2C + 0.136*RO2XC + 0.136*zRNO3 +\n 0.864*xBALD + 1.136*XC # 1.44e-10;\n TMBENZ124 + CL = 0.838*xHO2 + 0.838*RO2C + 0.162*RO2XC +\n 0.162*zRNO3 + 0.838*xBALD + 2.162*XC # 2.42e-10;\n ETOH + CL = HCL + 0.688*HO2 + 0.312*xHO2 + 0.312*RO2C + 0.503*xHCHO +\n 0.688*CCHO + 0.061*xHOCCHO + 0.312*yROOH - 0.001*XC # 8.60e-11@-45;\n ALK1 + CL = HCL + xHO2 + RO2C + xCCHO + yROOH # 8.30e-11@100;\n ALK2 + CL = HCL + 0.97*xHO2 + 0.97*RO2C + 0.03*RO2XC + 0.03*zRNO3 +\n 0.482*xRCHO + 0.488*xACETONE + yROOH - 0.09*XC # 1.20e-10@-40;\n ALK3 + CL = HCL + 0.835*xHO2 + 0.094*xTBUO + 1.361*RO2C + 0.07*RO2XC +\n 0.07*zRNO3 + 0.078*xHCHO + 0.34*xCCHO + 0.343*xRCHO + 0.075*xACETONE +\n 0.253*xMEK + 0.983*yROOH + 0.017*yR6OOH + 0.18*XC # 1.86e-10;\n ALK4 + CL = HCL + 0.827*xHO2 + 0.003*xMEO2 + 0.004*xMECO3 + 1.737*RO2C +\n 0.165*RO2XC + 0.165*zRNO3 + 0.003*xCO + 0.034*xHCHO + 0.287*xCCHO +\n 0.412*xRCHO + 0.247*xACETONE + 0.076*xMEK + 0.13*xPROD2 + yR6OOH +\n 0.327*XC # 2.63e-10;\n ALK5 + CL = HCL + 0.647*xHO2 + 1.541*RO2C + 0.352*RO2XC + 0.352*zRNO3 +\n 0.022*xHCHO + 0.08*xCCHO + 0.258*xRCHO + 0.044*xACETONE + 0.041*xMEK +\n 0.378*xPROD2 + yR6OOH + 2.368*XC # 4.21e-10;\n OLE1 + CL = 0.384*HCL + 0.873*xHO2 + 1.608*RO2C + 0.127*RO2XC +\n 0.127*zRNO3 + 0.036*xHCHO + 0.206*xCCHO + 0.072*xRCHO +\n 0.215*xACROLEIN + 0.019*xMVK + 0.038*xIPRD + 0.192*xCLCCHO +\n 0.337*xCLACET + 0.169*yROOH + 0.831*yR6OOH + 1.268*XC # 3.92e-10;\n OLE2 + CL = 0.279*HCL + 0.45*xHO2 + 0.442*xCL + 0.001*xMEO2 +\n 1.492*RO2C + 0.106*RO2XC + 0.106*zRNO3 + 0.19*xHCHO + 0.383*xCCHO +\n 0.317*xRCHO + 0.086*xACETONE + 0.042*xMEK + 0.025*xMACR + 0.058*xMVK +\n 0.161*xIPRD + 0.013*xCLCCHO + 0.191*xCLACET + 0.319*yROOH +\n 0.681*yR6OOH + 0.294*XC # 3.77e-10;\n ARO1 + CL = 0.84*xHO2 + 0.84*RO2C + 0.16*RO2XC + 0.16*zRNO3 +\n 0.84*xPROD2 + XC # 2.16e-10;\n ARO2MN + CL = 0.828*xHO2 + 0.828*RO2C + 0.172*RO2XC + 0.172*zRNO3 +\n 0.469*xBALD + 0.359*xPROD2 + 2.531*XC # 2.66e-10;\n NAPHTHAL + CL = 0.828*xHO2 + 0.828*RO2C + 0.172*RO2XC + 0.172*zRNO3 +\n 0.469*xBALD + 0.359*xPROD2 + 2.531*XC # 2.66e-10;\n TERP + CL = 0.548*HCL + 0.252*xHO2 + 0.068*xCL + 0.034*xMECO3 +\n 0.05*xRCO3 + 0.016*xMACO3 + 2.258*RO2C + 0.582*RO2XC + 0.582*zRNO3 +\n 0.035*xCO + 0.158*xHCHO + 0.185*xRCHO + 0.274*xACETONE + 0.007*xGLY +\n 0.003*xBACL + 0.003*xMVK + 0.158*xIPRD + 0.006*xAFG1 + 0.006*xAFG2 +\n 0.001*xAFG3 + 0.109*xCLCCHO + yR6OOH + 3.543*XC # 5.46e-10;\n SESQ + CL = 0.252*xHO2 + 0.068*xCL + 0.034*xMECO3 + 0.05*xRCO3 +\n 0.016*xMACO3 + 2.258*RO2C + 0.582*RO2XC + 0.582*zRNO3 + 0.548*HCL +\n 0.035*xCO + 0.158*xHCHO + 0.185*xRCHO + 0.274*xACETONE + 0.007*xGLY +\n 0.003*xBACL + 0.003*xMVK + 0.158*xIPRD + 0.006*xAFG1 + 0.006*xAFG2 +\n 0.001*xAFG3 + 0.109*xCLCCHO + yR6OOH + 8.543*XC # 1.0*K;\n\n! Reactions for aerosol precursors from benzene, xylenes, and toluene\n\n BENZRO2 + NO = NO + 0.034*SVAVB2 + 0.392*SVAVB4 # 1.0*K;\n BENZRO2 + HO2 = HO2 + 0.146*SVAVB1 # 1.0*K;\n XYLRO2 + NO = NO + 0.015*SVAVB2 + 0.023*SVAVB3 + \n 0.06*SVAVB4 # 1.0*K;\n XYLRO2 + HO2 = HO2 + 0.193*SVAVB1 # 1.0*K;\n TOLRO2 + NO = NO + 0.016*SVAVB2 + 0.051*SVAVB3 +\n 0.047*SVAVB4 # 1.0*K;\n TOLRO2 + HO2 = HO2 + 0.14*SVAVB1 # 1.0*K;\n PAHRO2 + NO = NO + 0.028*SVAVB2 + 0.225*SVAVB3 +\n 0.191*SVAVB4 # 1.0*K;\n PAHRO2 + HO2 = HO2 + 0.473*SVAVB1 # 1.0*K;\n\n! Reactive Tracers for formaldehyde, acetaldehyde and acrolein\n\n HCHO_PRIMARY = # 1.0/;\n HCHO_PRIMARY = # 1.0/;\n HCHO_PRIMARY + OH = OH # 5.40e-12@-135;\n! Removed based on comment from peer reviews\n! HCHO_PRIMARY + HO2 = HO2 # 9.70e-15@-625;\n!\n HCHO_PRIMARY + NO3 = NO3 # 2.00e-12@2431;\n HCHO_PRIMARY + CL = CL # 8.10e-11@30;\n\n CCHO_PRIMARY + OH = OH # 4.40e-12@-365;\n CCHO_PRIMARY = # 1.0/;\n CCHO_PRIMARY + NO3 = NO3 # 1.40e-12@1860;\n CCHO_PRIMARY + CL = CL # 8.00e-11;\n\n ACRO_PRIMARY + OH = OH # 1.99e-11;\n ACRO_PRIMARY + O3 = O3 # 1.40e-15@2528;\n ACRO_PRIMARY + NO3 = NO3 # 1.18e-15;\n ACRO_PRIMARY + O3P = O3P # 2.37e-12;\n ACRO_PRIMARY = # 1.0/;\n ACRO_PRIMARY + CL = CL # 2.94e-10;\n\n\n\n!******* starting of new isoprene mechanism******\n\n! ISOPRENE + OH reactions\n\n ISOPRENE + OH = ISOPO2 + ISOPRXN # 2.54e-11@-410;\n\n ISOPO2 + NO = 0.40*MVK + 0.26*MACR + 0.883*NO2 + 0.07*ISOPND +\n 0.047*ISOPNB + 0.66*HCHO + 0.10*HC5 + 0.043*ARO2MN + 0.08*DIBOO +\n 0.803*HO2 # 2.60e-12@-380;\n\n\n ISOPO2 + HO2 = 0.880*ISOPOOH + 0.120*OH + 0.047*MACR + 0.073*MVK + \n 0.120*HO2 + 0.120*HCHO # 2.06e-13@-1300; \n\n ISOPO2 + MEO2 = 0.45*HO2 + 0.37*HCHO + 0.23*MVK + 0.15*MACR + 0.05*DIBOO\n + 0.06*HC5 + 0.02*ARO2MN + 0.5*PRD2 + 0.5*HCHO + 0.5*HO2 + 0.25*HCHO +\n 0.25*MEOH - 0.62*XC # 1.80e-12;\n\n ISOPO2 + RO2C = 0.45*HO2 + 0.37*HCHO + 0.23*MVK + 0.15*MACR + 0.05*DIBOO\n + 0.06*HC5 + 0.02*ARO2MN + 0.5*PRD2 - 0.62*XC # 6.80e-13;\n\n ISOPO2 + ISOPO2 = 0.91*HO2 + 0.75*HCHO + 0.45*MVK + 0.29*MACR +\n 0.09*DIBOO + 0.11*HC5 + 0.05*ARO2MN + PRD2 - 1.24*XC # 2.30e-12;\n\n\n ISOPO2 + MECO3 = MEO2 + CO2 + 0.91*HO2 + 0.75*HCHO + 0.45*MVK +\n 0.29*MACR + 0.09*DIBOO + 0.11*HC5 + 0.05*ARO2MN -\n 0.16*XC # 4.40e-13@-1070;\n\n\n ISOPO2 = HO2 + HPALD # 4.07e8@7694;\n\n HPALD = OH + HO2 + 0.5*HACET + 0.5*MGLY + 0.25*HOCCHO + 0.25*GLY \n + HCHO # 1.0/;\n\n HPALD + OH = OH + PRD2 - XC # 4.60e-11; \n\n\n\n! ISOPRENE + NO3 reactions \n\n ISOPRENE + NO3 = NISOPO2 # 3.03e-12@448; \n\n NISOPO2 + NO3 = 0.70*NIT1 + 0.035*MVK + 0.035*MACR + 1.3*NO2 + 0.80*HO2 \n + 0.070*HCHO + 0.23*HC5 # 2.30e-12; \n\n NISOPO2 + NO = 0.70*NIT1 + 0.035*MVK + 0.035*MACR + 1.3*NO2 + 0.80*HO2 \n + 0.070*HCHO + 0.23*HC5 # 2.60e-12@-380; \n\n NISOPO2 + HO2 = NISOPOOH # 2.06e-13@-1300; \n\n NISOPO2 + MEO2 = 0.35*NIT1 + 0.0175*MVK + 0.0175*MACR + 0.15*NO2 + \n 0.40*HO2 + 0.035*HCHO + 0.115*HC5 + 0.25*NIT1 + 0.25*ISOPND +\n 0.5*HCHO + 0.5*HO2 + 0.25*HCHO + 0.25*MEOH # 1.30e-12;\n\n NISOPO2 + RO2C = 0.35*NIT1 + 0.0175*MVK + 0.0175*MACR + 0.15*NO2 +\n 0.40*HO2 + 0.035*HCHO + 0.115*HC5 + 0.25*NIT1 + 0.25*ISOPND # 6.04e-13;\n\n NISOPO2 + NISOPO2 = 0.70*NIT1 + 0.035*MVK + 0.035*MACR + 0.3*NO2 + \n 0.80*HO2 + 0.070*HCHO + 0.23*HC5 + 0.5*NIT1 + 0.5*ISOPND # 1.20e-12;\n\n NISOPO2 + MECO3 = MEO2 + CO2 + 0.70*NIT1 + 0.035*MVK + 0.035*MACR + \n 0.3*NO2 + 0.80*HO2 + 0.070*HCHO + 0.23*HC5 # 4.40e-13@-1070;\n\n\n\n! HC5\n\n HC5 + OH = HC5OO # 1.42e-11@-610;\n\n HC5OO + NO = NO2 + 0.234*HOCCHO + 0.234*MGLY + 0.216*GLY + 0.216*HACET + \n 0.29*DHMOB + 0.17*RCOOH + 0.09*PRD2 + 0.09*CO + HO2 + 0.16*XC # \n 2.60e-12@-380;\n\n HC5OO + HO2 = R6OOH - XC # 2.06e-13@-1300;\n\n\n HC5OO + MEO2 = 0.117*HOCCHO + 0.117*MGLY + 0.108*GLY + 0.108*HACET + \n 0.145*DHMOB + 0.085*RCOOH + 0.045*PRD2 + 0.045*CO + 0.5*HO2 + \n 0.5*PRD2 + 0.25*HCHO + 0.25*MEOH + 0.5*HO2 + 0.5*HCHO - 0.42*XC # \n 2.00e-13;\n\n\n HC5OO + RO2C = 0.117*HOCCHO + 0.117*MGLY + 0.108*GLY + 0.108*HACET + \n 0.145*DHMOB + 0.085*RCOOH + 0.045*PRD2 + 0.045*CO + 0.5*HO2 + \n 0.5*PRD2 - 0.42*XC # 3.50e-14;\n\n\n HC5OO + MECO3 = MEO2 + CO2 + 0.234*HOCCHO + 0.234*MGLY + 0.216*GLY + \n 0.216*HACET + 0.29*DHMOB + 0.17*RCOOH + 0.09*PRD2 + 0.09*CO + HO2 + \n 0.16*XC # 4.40e-13@-1070;\n\n\n HC5 + O3 = 0.50*MGLY + 0.35*GLY + 0.79*OH + 0.02*HCHO + 0.35*HOCCHO + \n 0.59*CO + 0.15*HACET + 0.13*RCOOH + 0.08*CO2 + 0.6*HO2 + \n 0.35*MECO3 - 0.13*XC # 3.94-15@1520;\n\n\n!ISOPN formed from OH oxidation\n\n ISOPND + OH = ISOPNOOD # 1.20e-11@-652;\n\n ISOPNOOD + NO = 0.34*PRD2 + 0.15*PROPNN + 0.44*HACET + 0.07*MVKN + \n 0.13*ETHLN + 0.31*HCOOH + 0.31*NO3 + 0.72*HCHO + 0.15*HOCCHO + \n 1.34*NO2 + 0.35*HO2 - 0.68*XC # 2.40e-12@-360;\n\n ISOPNOOD + HO2 = RNO3I - XC # 2.06e-13@-1300;\n\n ISOPNOOD + MEO2 = 0.17*PRD2 + 0.075*PROPNN + 0.22*HACET + 0.035*MVKN +\n 0.065*ETHLN + 0.155*HCOOH + 0.155*NO3 + 0.36*HCHO + 0.075*HOCCHO + \n 0.17*NO2 + 0.175*HO2 + 0.5*RNO3I + 0.25*HCHO + 0.25*MEOH + 0.5*HO2 \n + 0.5*HCHO - 0.84*XC # 2.00e-13;\n\n ISOPNOOD + RO2C = 0.17*PRD2 + 0.075*PROPNN + 0.22*HACET + 0.035*MVKN +\n 0.065*ETHLN + 0.155*HCOOH + 0.155*NO3 + 0.36*HCHO + 0.075*HOCCHO +\n 0.17*NO2 + 0.175*HO2 + 0.5*RNO3I - 0.84*XC # 3.50e-14;\n\n ISOPNOOD + MECO3 = MEO2 + CO2 + 0.34*PRD2 + 0.15*PROPNN + 0.44*HACET + \n 0.07*MVKN + 0.13*ETHLN + 0.31*HCOOH + 0.31*NO3 + 0.72*HCHO + \n 0.15*HOCCHO + 0.34*NO2 + 0.35*HO2 - 0.68*XC # 4.40e-13@-1070;\n\n\n ISOPND + O3 = 0.36*ETHLN + 0.29*PROPNN + 0.70*MGLY + 0.12*RCOOH \n + 0.39*HO2 + 0.038*HCHO + 0.029*CO + 0.73*OH + 0.017*CO2 + 0.36*NO2\n + 0.16*HACET + 0.34*HOCCHO - 0.26*XC # 2.90e-17;\n\n\n ISOPNB + OH = ISOPNOOB # 2.4e-12@-745;\n\n ISOPNOOB + NO = 0.6*HOCCHO + 0.6*HACET + 0.4*HCHO + 0.4*HO2 + 0.26*MACRN \n + 0.14*MVKN + 1.6*NO2 # 2.40e-12@-360;\n\n ISOPNOOB + HO2 = RNO3I - XC # 2.06e-13@-1300;\n\n ISOPNOOB + MEO2 = 0.3*HOCCHO + 0.3*HACET + 0.2*HCHO + 0.2*HO2 + \n 0.13*MACRN + 0.07*MVKN + 0.3*NO2 + 0.5*RNO3I + 0.25*HCHO + 0.25*MEOH + \n 0.5*HO2 + 0.5*HCHO - 0.5*XC # 2.00e-13; \n\n ISOPNOOB + RO2C = 0.3*HOCCHO + 0.3*HACET + 0.2*HCHO + 0.2*HO2 +\n 0.13*MACRN + 0.07*MVKN + 0.3*NO2 + 0.5*RNO3I - 0.5*XC # 3.50e-14; \n\n ISOPNOOB + MECO3 = MEO2 + CO2 + 0.6*HOCCHO + 0.6*HACET + 0.4*HCHO + \n 0.4*HO2 + 0.26*MACRN + 0.14*MVKN + 0.6*NO2 # 4.40e-13@-1070;\n\n\n ISOPNB + O3 = 0.12*MVKN + 0.32*MACRN + 0.34*OH + 0.08*HO2 + 0.26*CO + \n 0.07*CO2 + 0.16*HCOOH + 0.56*HCHO + 0.28*RNO3I + 0.04*HACET \n + 0.28*NO2 + 0.24*BACL - 0.57*XC # 3.7e-19;\n\n\n\n!ISOPN formed from NO3 oxidation \n\n NIT1 + NO3 = 0.6*NIT1NO3OOA + 0.6*HNO3 + 0.4*NIT1NO3OOB # 3.15e-13@448;\n\n NIT1NO3OOA + NO3 = NO2 + PROPNN + CO + CO2 + HO2 # 4.00e-12;\n\n NIT1NO3OOA + NO = NO2 + PROPNN + CO + CO2 + HO2 # 1.0*K; \n\n NIT1NO3OOA + NO2 = MAPAN + XN + XC # 1.0*K;\n\n NIT1NO3OOA + HO2 = 0.75*RCOOOH + 0.25*RCOOH + 0.25*O3 + \n XN + 2*XC # 1.0*K;\n\n NIT1NO3OOA + RO2C = PROPNN + CO + CO2 + HO2 # 1.0*K;\n\n NIT1NO3OOA + MEO2 = PROPNN + CO + CO2 + HO2 + HCHO + HO2 # 1.0*K; \n\n NIT1NO3OOA + MECO3 = MEO2 + CO2 + PROPNN + CO + CO2 + HO2 # 1.0*K;\n\n\n NIT1NO3OOB + NO3 = ISOPNN + GLY + NO2 # 2.30e-12; \n\n NIT1NO3OOB + NO = 0.94*ISOPNN + 0.94*GLY + 0.94*NO2 + 0.06*RNO3I \n - 0.06*XC + 0.13*XN # 2.60e-12@-380; \n\n NIT1NO3OOB + HO2 = RNO3I - XC + XN # 2.06e-13@-1300; \n\n NIT1NO3OOB + RO2C = 0.7*ISOPNN + 0.7*GLY + 0.3*RNO3I \n - 0.3*XC + 0.3*XN # 3.50e-14;\n\n NIT1NO3OOB + MEO2 = 0.7*ISOPNN + 0.7*GLY + 0.3*RNO3I +\n 0.25*HCHO + 0.25*MEOH + 0.5*HO2 + 0.5*HCHO - 0.3*XC + \n 0.3*XN # 2.00e-13;\n\n NIT1NO3OOB + MECO3 = MEO2 + CO2 + ISOPNN + GLY # 4.40e-13@-1070;\n\n\n\n\n NIT1 + O3 = 0.3*PROPNN + 0.45*CO + 0.15*OH + 0.45*HO2 + 0.15*CO2 +\n 0.7*GLY + 0.7*OH + 0.7*NO2 + 0.7*MGLY # 4.15e-15@1520;\n\n\n NIT1 + OH = 0.345*NIT1NO3OOA + 0.655*NIT1OHOO # 7.48e-12@-410;\n\n NIT1OHOO + NO = 0.919*PROPNN + 0.919*GLY + 0.015*CO + 0.015*RNO3I + \n 0.934*NO2 + 0.934*HO2 + 0.066*RNO3I - 0.096*XC + \n 0.066*XN # 2.60e-12@-380;\n\n NIT1OHOO + HO2 = R6OOH + XN - XC # 2.06e-13@-1300;\n\n NIT1OHOO + RO2C = 0.689*PROPNN + 0.689*GLY + 0.011*CO + 0.011*RNO3I + \n 0.7*HO2 + 0.3*RNO3I - 0.323*XC # 3.50e-14;\n\n NIT1OHOO + MEO2 = 0.689*PROPNN + 0.689*GLY + 0.011*CO + 0.011*RNO3I +\n 0.7*HO2 + 0.3*RNO3I + 0.25*HCHO + 0.25*MEOH + 0.50*HCHO +\n 0.50*HO2 - 0.323*XC # 2.00e-13;\n\n NIT1OHOO + MECO3 = MEO2 + CO2 + 0.984*PROPNN + 0.984*GLY + 0.016*CO + \n 0.016*RNO3I + HO2 - 0.033*XC # 4.40e-13@-1070;\n\n\n!DIBOO\n\n DIBOO + NO = NO2 + HO2 + 0.52*HOCCHO + 0.52*MGLY + 0.48*GLY + 0.48*HACET \n # 2.60e-12@-380;\n\n DIBOO + HO2 = R6OOH - XC # 2.06e-13@-1300;\n \n DIBOO + MEO2 = 0.5*HO2 + 0.26*HOCCHO + 0.26*MGLY + 0.24*GLY + \n 0.24*HACET + 0.5*PRD2 + 0.25*HCHO + 0.25*MEOH + 0.5*HCHO + \n 0.50*HO2 - 0.5*XC # 2.00e-13;\n \n DIBOO + RO2C = 0.5*HO2 + 0.26*HOCCHO + 0.26*MGLY + 0.24*GLY +\n 0.24*HACET + 0.5*PRD2 - 0.5*XC # 3.50e-14;\n\n DIBOO + MECO3 = HO2 + 0.52*HOCCHO + 0.52*MGLY + 0.48*GLY + 0.48*HACET + \n MEO2 + CO2 # 4.40e-13@-1070;\n\n\n\n!MVK\n\n MVK + OH = MVKOO # 2.60e-12@-610;\n\n MVKOO + NO = 0.625*HOCCHO + 0.625*MECO3 + 0.265*MGLY + 0.265*HCHO + \n 0.265*HO2 + 0.11*MVKN + 0.89*NO2 # 2.60e-12@-380;\n\n MVKOO + HO2 = ROOH + XC # 1.82e-13@-1300;\n\n MVKOO + MEO2 = 0.35*HOCCHO + 0.35*MECO3 + 0.15*MGLY + 0.15*HCHO +\n 0.15*HO2 + 0.5*MEK + 0.25*HCHO + 0.25*MEOH + 0.5*HCHO + 0.50*HO2 \n # 2.00e-13;\n\n MVKOO + RO2C = 0.35*HOCCHO + 0.35*MECO3 + 0.15*MGLY + 0.15*HCHO +\n 0.15*HO2 + 0.5*MEK # 3.50e-14;\n\n MVKOO + MECO3 = MEO2 + CO2 + 0.7*HOCCHO + 0.7*MECO3 + 0.3*MGLY \n + 0.3*HCHO + 0.3*HO2 # 4.40e-13@-1070;\n\n\n\n!MACR \n\n\n MACROO + NO = 0.85*NO2 + 0.85*HO2 + 0.72*HACET + 0.72*CO + 0.13*HCHO + \n 0.13*MGLY + 0.15*MACRN # 2.60e-12@-380; \n\n MACROO + HO2 = ROOH + XC # 1.82e-13@-1300;\n\n MACROO + MEO2 = 0.50*HO2 + 0.424*HACET + 0.424*CO + 0.076*HCHO + \n 0.076*MGLY + 0.5*PRD2 + 0.25*HCHO + 0.25*MEOH + 0.5*HCHO + \n 0.5*HO2 - XC # 2.00e-13; \n\n MACROO + RO2C = 0.50*HO2 + 0.424*HACET + 0.424*CO + 0.076*HCHO + \n 0.076*MGLY + 0.5*PRD2 - XC # 3.50e-14;\n\n MACROO + MECO3 = MEO2 + CO2 + HO2 + 0.15*MGLY + 0.85*HACET + 0.85*CO + \n 0.15*HCHO # 4.40e-13@-1070;\n\n\n\n!MACO3\n\n MACO3 + NO = NO2 + CO + CO2 + HCHO + MEO2 # 6.70e-12@-340; \n\n!revised acyl peroxy reaction with HO2 but splitting organic acid into two parts\n MACO3 + HO2 = 0.3075*RCOOOH + 0.1025*RCOOH + 0.15*O3 \n + 0.44*OH + 0.44*HCHO + 0.44*MECO3 + 0.44*CO2 # 1.0*K;\n\n MACO3 + NO3 = NO2 + CO + CO2 + HCHO + MEO2 # 4.00e-12;\n MACO3 + MEO2 = HCHO + HO2 + CO + CO2 + HCHO + MEO2 # 1.0*K;\n MACO3 + RO2C = CO + CO2 + HCHO + MEO2 # 1.0*K;\n MACO3 + RO2XC = CO + CO2 + HCHO + MEO2 # 1.0*K;\n MACO3 + MECO3 = CO2 + MEO2 + CO + CO2 + HCHO + MEO2 # 1.0*K;\n MACO3 + RCO3 = CO + CO2 + HCHO + MEO2 + RO2C + xHO2 + yROOH + xCCHO + CO2\n # 1.0*K;\n MACO3 + BZCO3 = CO + CO2 + HCHO + MEO2 + BZO + RO2C + CO2 # 1.0*K;\n MACO3 + MACO3 = 2*CO + 2*CO2 + 2*HCHO + 2*MEO2 # 1.0*K;\n\n MAPAN + OH = HACET + CO + NO2 # 2.90e-11;\n\n\n!HOCCHO \n\n HOCCHO + OH = 0.75*HO2 + 0.25*OH + 0.13*GLY + 0.52*CO + 0.35*CO2 \n + 0.16*HCOOH + 0.71*HCHO # 0.8e-11;\n\n\n!HACET\n\n HACET + OH = 0.75*MGLY + 0.825*HO2 + 0.125*HCOOH + 0.1*OH + 0.125*MEO2 + \n 0.20*CO2 + 0.05*CO + 0.125*CCOOH # 2.15e-12@-305;\n\n HACET = HO2 + MECO3 + HCHO # 1.75e-1/;\n\n!ETHLN\n\n ETHLN + OH = HCHO + CO2 + NO2 # 2.94e-12@-365;\n\n ETHLN = NO2 + HCHO + HO2 + CO # 1.0/; \n\n!PROPNN\n\n PROPNN + OH = MGLY + NO2 # 4.0e-13; \n ISOPNN + OH = PROPNN + NO2 # 4.0e-13;\n\n PROPNN = MECO3 + HCHO + NO2 # 1.0/;\n ISOPNN = MECO3 + HCHO + 2*NO2 # 1.0/;\n \n\n!MVKN\n\n MVKN + OH = 0.65*HCOOH + 0.65*MGLY + 0.35*HCHO + 0.35*PYRUACD + NO3 # \n 3.50e-12@-140;\n\n MVKN = MECO3 + NO2 + HOCCHO # 1.0/;\n\n!MACRN\n\n MACRN + OH = 0.08*CCOOH + 0.08*HCHO + 0.08*NO3 + 0.07*HCOOH + 0.07*NO3 + \n 0.07*MGLY + 0.85*HACET + 0.85*NO2 + 0.93*CO2 # 1.28e-11@-405;\n\n MACRN = HACET + NO2 + CO + HO2 # 1.0/;\n\n!DHMOB\n\n DHMOB + OH = 1.5*CO + 0.5*HO2 + 0.5*HACET + 0.5*PRD2 - XC # 1.00e-11; \n\n\n!CH3C(O)C(O)OH\n\n PYRUACD = CCHO + CO2 # 1.0/; \n\n\n!Peroxides from reactions with OH\n\n ISOPOOH + OH = IEPOX + OH # 1.9e-11@-390;\n\n ISOPOOH + OH = 0.387*ISOPO2 + 0.613*HC5 + 0.613*OH # 4.75e-12@-200;\n\n IEPOX + OH = IEPOXOO # 5.78e-11@400;\n\n IEPOXOO + HO2 = 0.725*HACET + 0.275*HOCCHO + 0.275*GLY + 0.275*MGLY + \n 1.125*OH + 0.825*HO2 + 0.200*CO2 + 0.375*HCHO + 0.074*HCOOH + 0.251*CO \n # 2.06e-13@-1300; \n\n IEPOXOO + NO = 0.725*HACET + 0.275*HOCCHO + 0.275*GLY + 0.275*MGLY +\n 0.125*OH + 0.825*HO2 + 0.200*CO2 + 0.375*HCHO + 0.074*HCOOH + 0.251*CO \n + NO2 # 2.60e-12@-380;\n\n IEPOXOO + MEO2 = 0.363*HACET + 0.138*HOCCHO + 0.138*GLY + 0.138*MGLY + \n 0.063*OH + 0.413*HO2 + 0.100*CO2 + 0.188*HCHO + 0.037*HCOOH + 0.126*CO\n + 0.5*PRD2 + 0.5*HCHO + 0.5*HO2 + 0.25*HCHO + 0.25*MEOH \n - 0.5*XC # 2.00e-13;\n\n IEPOXOO + RO2C = 0.363*HACET + 0.138*HOCCHO + 0.138*GLY + 0.138*MGLY +\n 0.063*OH + 0.413*HO2 + 0.100*CO2 + 0.188*HCHO + 0.037*HCOOH + 0.126*CO\n + 0.5*PRD2 - 0.5*XC # 3.50e-14;\n\n IEPOXOO + MECO3 = 0.725*HACET + 0.275*HOCCHO + 0.275*GLY + 0.275*MGLY +\n 0.125*OH + 0.825*HO2 + 0.200*CO2 + 0.375*HCHO + 0.074*HCOOH + 0.251*CO\n + MEO2 + CO2 # 4.40e-13@-1070;\n\n\n ISOPOOH = OH + 0.91*HO2 + 0.75*HCHO + 0.45*MVK + \n 0.29*MACR + 0.09*DIBOO + 0.11*HC5 + 0.05*ARO2MN -\n 0.16*XC # 1.0/;\n\n\n\n! RNO3 from isoprene\n\n RNO3I + OH = NO2 + HO2 + PRD2 # 8.00e-12;\n\n\n! Peroxides from reactions with NO3 \n\n NISOPOOH + OH = RNO3I + OH # 5.00e-11;\n\n NISOPOOH + OH = 0.3*NISOPO2 + 0.7*OH + 0.7*NIT1 # 0.38e-11@-200;\n\n\n\n\n!******* end of new isoprene mechanism****** \n! make IMACO3 instead of MACO3\n MACR + OH = 0.53*MACROO + 0.47*IMACO3 # 8.00e-12@-380;\n MACR + NO3 = 0.5*IMACO3 + 0.5*RO2C + 0.5*HNO3 + 0.5*xHO2 + 0.5*xCO +\n 0.5*yROOH + 1.5*XC + 0.5*XN # 1.50e-12@1815;\n MACR = 0.33*OH + 0.67*HO2 + 0.34*MECO3 + 0.33*IMACO3 + 0.33*RO2C +\n 0.67*CO + 0.34*HCHO + 0.33*xMECO3 + 0.33*xHCHO + 0.33*yROOH\n # 1.0/;\n MACR + CL = 0.25*HCL + 0.165*IMACO3 + 0.802*RO2C + 0.033*RO2XC +\n 0.033*zRNO3 + 0.802*xHO2 + 0.541*xCO + 0.082*xIPRD + 0.18*xCLCCHO +\n 0.541*xCLACET + 0.835*yROOH + 0.208*XC # 3.85e-10; \n IMACO3 + NO = NO2 + CO + CO2 + HCHO + MEO2 # 6.70e-12@-340; \n! production of MPAA from MACO3 + HO2 as per Kjaergaard paper\n IMACO3 + HO2 = 0.75*IMPAA + 0.25*RCOOH + 0.25*O3 + XC # 1.0*K;\n IMACO3 + NO3 = NO2 + CO + CO2 + HCHO + MEO2 # 4.00e-12;\n IMACO3 + MEO2 = HCHO + HO2 + CO + CO2 + HCHO + MEO2 # 1.0*K;\n IMACO3 + RO2C = CO + CO2 + HCHO + MEO2 # 1.0*K;\n IMACO3 + RO2XC = CO + CO2 + HCHO + MEO2 # 1.0*K;\n IMACO3 + MECO3 = CO2 + MEO2 + CO + CO2 + HCHO + MEO2 # 1.0*K;\n IMACO3 + RCO3 = CO +CO2 + HCHO + MEO2 + RO2C + xHO2 + yROOH + xCCHO + CO2\n # 1.0*K;\n IMACO3 + BZCO3 = CO + CO2 + HCHO + MEO2 + BZO + RO2C + CO2 # 1.0*K;\n IMACO3 + MACO3 = 2*CO + 2*CO2 + 2*HCHO + 2*MEO2 # 1.0*K;\n IMACO3 + IMACO3 = 2*CO + 2*CO2 + 2*HCHO + 2*MEO2 # 1.0*K;\n\n! Add isomerization of MACR+OH-H addition --> MACROO\n MACROO = HACET + CO + OH #2.9e7@5297;\n\n IMACO3 + NO2 = IMAPAN # 1.0*K;\n IMAPAN = IMACO3 + NO2 # 1.60e+16@13486;\n IMAPAN = 0.6*IMACO3 + 0.6*NO2 + 0.4*CO2 + 0.4*HCHO + 0.4*MECO3 +\n 0.4*NO3 # 1.0/;\n\n! new cross reactions\n xCO + IMACO3 = IMACO3 + CO # 1.0*K;\n xTBUO + IMACO3 = IMACO3 + TBUO # 1.0*K;\n xMACO3 + IMACO3 = IMACO3 + MACO3 # 1.0*K;\n xRCO3 + IMACO3 = IMACO3 + RCO3 # 1.0*K;\n xMECO3 + IMACO3 = IMACO3 + MECO3 # 1.0*K;\n xMEO2 + IMACO3 = IMACO3 + MEO2 # 1.0*K;\n xNO2 + IMACO3 = IMACO3 + NO2 # 1.0*K;\n xOH + IMACO3 = IMACO3 + OH # 1.0*K;\n xHO2 + IMACO3 = IMACO3 + HO2 # 1.0*K;\n xACROLEIN + IMACO3 = IMACO3 + ACROLEIN # 1.0*K;\n xHOCCHO + IMACO3 = IMACO3 + HOCCHO # 1.0*K;\n zRNO3 + IMACO3 = IMACO3 + PRD2 + HO2 # 1.0*K;\n yRAOOH + IMACO3 = IMACO3 # 1.0*K;\n yR6OOH + IMACO3 = IMACO3 # 1.0*K;\n yROOH + IMACO3 = IMACO3 # 1.0*K;\n xRNO3 + IMACO3 = IMACO3 + RNO3 # 1.0*K;\n xIPRD + IMACO3 = IMACO3 + IPRD # 1.0*K;\n xMVK + IMACO3 = IMACO3 + MVK # 1.0*K;\n xMACR + IMACO3 = IMACO3 + MACR # 1.0*K;\n xAFG3 + IMACO3 = IMACO3 + AFG3 # 1.0*K;\n xAFG2 + IMACO3 = IMACO3 + AFG2 # 1.0*K;\n xAFG1 + IMACO3 = IMACO3 + AFG1 # 1.0*K;\n xBALD + IMACO3 = IMACO3 + BALD # 1.0*K;\n xBACL + IMACO3 = IMACO3 + BACL # 1.0*K;\n xMGLY + IMACO3 = IMACO3 + MGLY # 1.0*K;\n xGLY + IMACO3 = IMACO3 + GLY # 1.0*K;\n xPROD2 + IMACO3 = IMACO3 + PRD2 # 1.0*K;\n xMEK + IMACO3 = IMACO3 + MEK # 1.0*K;\n xACETONE + IMACO3 = IMACO3 + ACETONE # 1.0*K;\n xRCHO + IMACO3 = IMACO3 + RCHO # 1.0*K;\n xCCHO + IMACO3 = IMACO3 + CCHO # 1.0*K;\n xHCHO + IMACO3 = IMACO3 + HCHO # 1.0*K;\n xCL + IMACO3 = IMACO3 + CL # 1.0*K;\n xCLACET + IMACO3 = IMACO3 + CLACET # 1.0*K;\n xCLCCHO + IMACO3 = IMACO3 + CLCCHO # 1.0*K;\n\n! get yields from Edney/Bartolotti calculations\n! or maybe assume same overall yield of CalTech paper (61%) but split it\n! up between MAE and HMML\n IMAPAN + OH = 0.03*HACET + 0.03*CO + 0.81*NO3 + 0.21*IMAE +\n 0.57*IHMML + 0.19*PAN + 0.19*HCHO + 0.19*HO2 # 3.00e-11;\n! need to decay MAE and HMML - use same rate as IEPOX decay ? Or\n! use rate calculated from structure-activity relationships (Kwok, 1995)\n IMAE + OH = # 1.E-12;\n IHMML + OH = # 4.4E-12;\n! formation of HMML from MPAA - use rate from MCM species MACO3H and\n! 17% yield of HMML from from CalTech paper\n IMPAA + OH = 0.83*IMACO3 + 0.17*IHMML # 1.66E-11;\n\n! MTNO3 reactions\n MTNO3 + CL = HCL + 0.038*NO2 + 0.055*HO2 + 1.282*RO2C + 0.202*RO2XC +\n 0.202*zMTNO3 + 0.009*RCHO + 0.018*MEK + 0.012*PRD2 + 0.055*MTNO3 +\n 0.159*xNO2 + 0.547*xHO2 + 0.045*xHCHO + 0.3*xCCHO + 0.02*xRCHO +\n 0.003*xACETONE + 0.041*xMEK + 0.046*xPROD2 + 0.547*xMTNO3 +\n 0.908*yR6OOH + 0.201*XN - 0.149*XC # 1.92e-10;\n MTNO3 + OH = 0.189*HO2 + 0.305*xHO2 + 0.019*NO2 + 0.313*xNO2 +\n 0.976*RO2C + 0.175*RO2XC + 0.175*zMTNO3 + 0.011*xHCHO + 0.429*xCCHO +\n 0.001*RCHO + 0.036*xRCHO + 0.004*xACETONE + 0.01*MEK + 0.17*xMEK +\n 0.008*PRD2 + 0.031*xPROD2 + 0.189*MTNO3 + 0.305*xMTNO3 + 0.157*yROOH +\n 0.636*yR6OOH + 0.174*XN + 0.04*XC # 7.20e-12;\n MTNO3 = 0.344*HO2 + 0.554*xHO2 + NO2 + 0.721*RO2C + 0.102*RO2XC +\n 0.102*zMTNO3 + 0.074*HCHO + 0.061*xHCHO + 0.214*CCHO + 0.23*xCCHO +\n 0.074*RCHO + 0.063*xRCHO + 0.008*xACETONE + 0.124*MEK + 0.083*xMEK +\n 0.19*PRD2 + 0.261*xPROD2 + 0.066*yROOH + 0.591*yR6OOH + 0.396*XC\n # 1.0/;\n\n! iorganic heteorogeneous reactions from hetchem version 5.0.2\n\n NO2 = 0.5*HONO + 0.5*HNO3 # 1.0~;\n\n! version 5.1 heterogenous N2O5 reactions leading to HNO3 and CLNO2\n\n N2O5 = HNO3 + H2NO3PIJ # 1.0~;\n N2O5 = HNO3 + H2NO3PK # 1.0~;\n\n H2NO3PIJ = HNO3 # 1.0~;\n H2NO3PK = HNO3 # 1.0~;\n\n H2NO3PIJ + ACLI = CLNO2 # 1.0~;\n H2NO3PIJ + ACLJ = CLNO2 # 1.0~;\n H2NO3PK + ACLK = CLNO2 # 1.0~;\n\n! Simplified ozone loss from oceanic halogens excluding chlorine\n\n O3 = %H # 6.7006E-11@-10.7435 & 3.4153E-08@0.6713\n & 2.0E-6;\n! Isoprene epoxide uptake reactions, uptake followed by speciation\n IEPOX = IEPOXP # 1.0~;\n IMAE = IMAEP # 1.0~;\n IHMML = IHMMLP # 1.0~;\n IEPOXP = AIETETJ # 1.0~;\n IEPOXP + ASO4J = AIEOSJ # 1.0~;\n IEPOXP + AIETETJ = ADIMJ # 1.0~;\n IEPOXP + AIEOSJ = ADIMJ # 1.0~;\n IMAEP = AIMGAJ # 1.0~;\n IMAEP + ASO4J = AIMOSJ # 1.0~;\n IHMMLP = AIMGAJ # 1.0~;\n IHMMLP + ASO4J = AIMOSJ # 1.0~;\n\n! Uptake of NO3 (Mao et al. 2013 JGR)\n NO3 = HNO3 # 1.0~;\n\n\n! oligomerization reaction for secondary organic aerosols\n AISO1J = 0.50*AOLGBJ # 9.48816E-6;\n AISO2J = 0.50*AOLGBJ # 9.48816E-6;\n ASQTJ = 1.50*AOLGBJ # 9.48816E-6;\n\n! oligomerization reaction for aromatic secondary organic aerosols\n AAVB2J = 0.907*AOLGAJ # 9.48816E-6;\n AAVB3J = 0.925*AOLGAJ # 9.48816E-6;\n AAVB4J = 0.943*AOLGAJ # 9.48816E-6;\n\n!aging reactions for primary organic carbon\n APOCI + OH = 1.25*APNCOMI + APOCI + OH # 2.5E-12;\n APNCOMI + OH = OH # 1.0~;\n APOCJ + OH = 1.25*APNCOMJ + APOCJ + OH # 2.5E-12;\n APNCOMJ + OH = OH # 1.0~;\n\n! Formation of Potential Combustion SOA (pcSOA)\n PCVOC + OH = OH + PCSOARXN # 1.25E-11;\n\n! Aging with Func. and Frag. (Donahue et al. 2012)\n VLVPO1 + OH = OH \n + 0.4857 * VLVPO1 + 0.0062 * VSVPO1\n + 0.0025 * VSVPO2 + 0.0026 * VSVPO3\n + 0.0023 * VIVPO1 + 0.2944 * VLVOO1\n + 0.2021 * VLVOO2 + 0.0019 * VSVOO2\n + 0.0023 * VSVOO3 #4.0e-11;\n VSVPO1 + OH = OH \n + 0.3003 * VLVPO1 + 0.2862 * VSVPO1\n + 0.0041 * VSVPO2 + 0.0035 * VSVPO3\n + 0.2239 * VLVOO1 + 0.1820 * VLVOO2 #4.0e-11;\n VSVPO2 + OH = OH \n + 0.3856 * VLVPO1 + 0.0950 * VSVPO1\n + 0.1373 * VSVPO2 + 0.0005 * VSVPO3\n + 0.2051 * VLVOO1 + 0.1764 * VLVOO2 #4.0e-11;\n VSVPO3 + OH = OH \n + 0.2181 * VLVPO1 + 0.3063 * VSVPO1\n + 0.0153 * VSVPO2 + 0.1043 * VSVPO3\n + 0.1893 * VLVOO1 + 0.1668 * VLVOO2 #4.0e-11;\n VIVPO1 + OH = OH \n + 0.2412 * VLVPO1 + 0.2089 * VSVPO1\n + 0.3000 * VSVPO2 + 0.2028 * VLVOO1\n + 0.0471 * VLVOO2 #4.0e-11;\n VLVOO1 + OH = OH \n + 0.6664 * VLVOO1 + 0.0143 * VLVOO2\n + 0.0123 * VSVOO1 + 0.1239 * VSVOO2\n + 0.1831 * VSVOO3 #4.0e-11;\n VLVOO2 + OH = OH \n + 0.2858 * VLVOO1 + 0.3931 * VLVOO2\n + 0.0139 * VSVOO1 + 0.1027 * VSVOO2\n + 0.2045 * VSVOO3 #4.0e-11;\n VSVOO1 + OH = OH \n + 0.3303 * VLVOO1 + 0.2272 * VLVOO2\n + 0.2607 * VSVOO1 + 0.0702 * VSVOO2\n + 0.1116 * VSVOO3 #4.0e-11;\n VSVOO2 + OH = OH \n + 0.3444 * VLVOO1 + 0.2749 * VLVOO2\n + 0.0491 * VSVOO1 + 0.2577 * VSVOO2\n + 0.0739 * VSVOO3 #4.0e-11;\n VSVOO3 + OH = OH \n + 0.3886 * VLVOO1 + 0.2421 * VLVOO2\n + 0.0640 * VSVOO1 + 0.0385 * VSVOO2\n + 0.2667 * VSVOO3 #4.0e-11; \n\n! Hydrolysis of particle-phase nitrates\n\n AMTNO3J = HNO3 + 1.00*AMTHYDJ #9.259E-5;\n AISOPNNJ = 2.0*HNO3 + 0.5*AMTHYDJ #9.259E-5;\n\n! GLY and MGLY uptake\n\n GLY = AGLYJ # 1.0~;\n MGLY = AGLYJ # 1.0~;\n\nendmech\n\n\nconstants\n< C1> ATM_AIR = 1.0E+06\n< C2> ATM_H2 = 0.56\n< C3> ATM_N2 = 0.7808E+06\n< C4> ATM_O2 = 0.2095E+06\n< C5> ATM_CH4 = 1.85\nend constants\n\n\n" }, { "path": "CCTM/src/MECHS/saprc07tic_ae7i_aq/pa_saprc07tic_ae7i_aq.ctl", "content": "! for saprc07tic_ae7i_aq\n!\n!=======================================================================\n! IPR_OUTPUTS\n!=======================================================================\nIPR_OUTPUT O3 = CHEM+DDEP+CLDS+AERO+TRNM;\nIPR_OUTPUT HNO3 = CHEM+DDEP+CLDS+AERO;\nIPR_OUTPUT PAN = CHEM+DDEP+CLDS+AERO+TRNM;\nIPR_OUTPUT N2O5 = CHEM+DDEP+CLDS+AERO;\n\nDEFINE FAMILY EC = AECI + AECJ;\nIPR_OUTPUT EC = COAG + EMIS + HADV;\nIPR_OUTPUT ASO4J = COND + COAG + EMIS + CHEM + VDIF + CLDS;\nIPR_OUTPUT ASO4I = NPF + COND + COAG + EMIS + CHEM + VDIF +CLDS;\nIPR_OUTPUT NUMATKN;\n!IPR_OUTPUT NUMACC;\n!IPR_OUTPUT NUMCOR;\n!\nENDPA;\n" }, { "path": "CCTM/src/MECHS/saprc07tic_ae7i_aqkmt2/AE_saprc07tic_ae7i_aq.nml", "content": "&AE_nml\n\nAE_SPECIES_DATA = \n\n!SPECIES ,MOLWT ,Aitken ,Accum ,Coarse ,OPTICS ,IC ,ICFAC ,BC ,BC_FAC ,DRYDEP SURR ,FAC ,WET-SCAV SURR ,FAC ,AE2AQ SURR ,TRNS ,DDEP ,WDEP ,CONC\n'ASO4' , 96.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'SO4' , 1 ,'SO4' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ANH4' , 18.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'NH4' , 1 ,'NH4' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ANO3' , 62.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'NO3' , 1 ,'NO3' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ANA' , 23.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'NA' , 1 ,'NA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ACL' , 35.50 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'CL' , 1 ,'CL' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AISO1' ,132.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AISO2' ,133.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASQT' ,273.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AORGC' ,177.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'AORGC' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AEC' , 12.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'EC' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AOTHR' ,200.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'PRI' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AFE' , 55.80 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'FE' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AAL' , 27.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'PRI' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASI' , 28.10 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'PRI' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ATI' , 47.90 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'PRI' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ACA' , 40.10 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'CA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMG' , 24.30 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'MG' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AK' , 39.10 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'K' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMN' , 54.90 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'MN' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ACORS' ,100.00 ,F ,F ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'ANTH' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASOIL' ,100.00 ,F ,F ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'SOIL' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'NUM' , 1.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VNUM' , 1 ,'NUM' , 1 ,'NUM' ,'Yes' ,'' ,'' ,'Yes',\n'SRF' , 1.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VSRF' , 1 ,'SRF' , 1 ,'SRF' ,'Yes' ,'' ,'' ,'Yes',\n'AORGH2O' , 18.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'H2O' , 1 ,'H2O' ,'Yes' ,'' ,'' ,'Yes',\n'AH2O' , 18.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'H2O' , 1 ,'H2O' ,'Yes' ,'' ,'' ,'Yes',\n'AH3OP' , 19.00 ,T ,T ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'' ,-1 ,'' ,'Yes' ,'' ,'' ,'Yes',\n'ASEACAT' , 23.75 ,F ,F ,T ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'PRI' , 1 ,'SEAS' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AISO3' ,168.20 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AOLGA' ,206.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AOLGB' ,248.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AGLY' , 66.40 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMTNO3' ,231.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AISOPNN' ,226.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMTHYD' ,186.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AIETET' ,136.15 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'IETET' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AIEOS' ,216.20 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'IEOS' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ADIM' ,248.23 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'DIMER' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AIMGA' ,120.10 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'IMGA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AIMOS' ,200.16 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'IMOS' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'APOC' ,220.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes', \n'APNCOM' ,220.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes', \n'APCSO' ,170.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ALVPO1' ,218.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASVPO1' ,230.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASVPO2' ,241.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASVPO3' ,253.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AIVPO1' ,266.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ALVOO1' ,136.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ALVOO2' ,136.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASVOO1' ,135.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASVOO2' ,135.00 ,T ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ASVOO3' ,134.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'POA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AAVB1' ,198.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AAVB2' ,179.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AAVB3' ,169.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AAVB4' ,158.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMT1' ,300.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMT2' ,200.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMT3' ,186.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMT4' ,184.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMT5' ,170.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'AMT6' ,168.00 ,F ,T ,F ,'' ,'' ,-1 ,'' ,-1 ,'VMASS' , 1 ,'ORG' , 1 ,'SOA' ,'Yes' ,'Yes' ,'Yes' ,'Yes', \n/ \n" }, { "path": "CCTM/src/MECHS/saprc07tic_ae7i_aqkmt2/GC_saprc07tic_ae7i_aq.nml", "content": "&GC_nml\n\nGC_SPECIES_DATA = \n\n!SPECIES ,MOLWT ,IC ,IC_FAC ,BC ,BC_FAC ,DRYDEP SURR ,FAC ,WET-SCAV SURR ,FAC ,GC2AE SURR ,GC2AQ SURR,TRNS ,DDEP ,WDEP ,CONC\n'NO2' , 46.01 ,'' ,-1 ,'' ,-1 ,'VD_NO2' , 1 ,'NO2' , 1 ,'NO2' ,'NO2' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'NO' , 30.01 ,'' ,-1 ,'' ,-1 ,'VD_NO' , 1 ,'NO' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'O3P' , 16.00 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'O3' , 48.00 ,'' ,-1 ,'' ,-1 ,'VD_O3' , 1 ,'O3' , 1 ,'' ,'O3' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'NO3' , 62.01 ,'' ,-1 ,'' ,-1 ,'VD_NO3' , 1 ,'NO3' , 1 ,'' ,'NO3RAD' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'N2O5' ,108.02 ,'' ,-1 ,'' ,-1 ,'VD_N2O5' , 1 ,'N2O5' , 1 ,'N2O5' ,'N2O5' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'HNO3' , 63.02 ,'' ,-1 ,'' ,-1 ,'VD_HNO3' , 1 ,'HNO3' , 1 ,'HNO3' ,'HNO3' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'O1D' , 16.00 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'OH' , 17.01 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'OH' , 1 ,'OH' ,'HO' ,'Yes' ,'' ,'Yes' ,'Yes',\n'HONO' , 47.02 ,'' ,-1 ,'' ,-1 ,'VD_HONO' , 1 ,'HNO2' , 1 ,'HONO' ,'HONO' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'HO2' , 33.01 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'HO2' , 1 ,'' ,'HO2' ,'Yes' ,'' ,'Yes' ,'Yes',\n'CO' , 28.01 ,'' ,-1 ,'' ,-1 ,'VD_CO' , 1 ,'CO' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'CO2' , 44.01 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'CO2' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'HNO4' , 79.02 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'HNO4' , 1 ,'' ,'HNO4' ,'Yes' ,'' ,'Yes' ,'Yes',\n'HO2H' , 34.01 ,'' ,-1 ,'' ,-1 ,'VD_H2O2' , 1 ,'H2O2' , 1 ,'' ,'H2O2' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SO2' , 64.06 ,'' ,-1 ,'' ,-1 ,'VD_SO2' , 1 ,'SO2' , 1 ,'' ,'SO2' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SULF' , 98.08 ,'' ,-1 ,'' ,-1 ,'VD_SULF' , 1 ,'H2SO4' , 1 ,'SULF' ,'H2SO4' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SULRXN' , 98.08 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'SULPRD' ,'' ,'' ,'' ,'' ,'' ,\n'MEO2' , 47.03 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'CH3O2' ,'Yes' ,'' ,'' ,'Yes',\n'HCHO' , 30.03 ,'' ,-1 ,'' ,-1 ,'VD_HCHO' ,0.7 ,'FORMALDEHYDE' , 1 ,'' ,'HCHO' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'COOH' , 48.04 ,'' ,-1 ,'' ,-1 ,'VD_OP' , 1 ,'METHYLHYDROPEROX', 1 ,'' ,'MHP' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'MEOH' , 32.04 ,'' ,-1 ,'' ,-1 ,'VD_METHANOL' , 1 ,'METHANOL' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'RO2C' , 1.00 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'RO2XC' , 1.00 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'MECO3' , 75.04 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'PAN' ,121.05 ,'' ,-1 ,'' ,-1 ,'VD_PAN' , 1 ,'PAN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'CCOOOH' , 76.00 ,'' ,-1 ,'' ,-1 ,'VD_PAA' , 1 ,'PEROXYACETIC_ACI', 1 ,'' ,'PAA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'CCOOH' , 60.05 ,'' ,-1 ,'' ,-1 ,'VD_ORA' , 1 ,'ACETIC_ACID' , 1 ,'' ,'CCOOH' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'RCO3' , 89.07 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'PAN2' ,135.08 ,'' ,-1 ,'' ,-1 ,'VD_PAN' , 1 ,'PPN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'xHO2' , 33.01 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'yROOH' , 76.10 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'xCCHO' , 44.05 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'RCOOOH' , 74.08 ,'' ,-1 ,'' ,-1 ,'VD_PAA' , 1 ,'PEROXYACETIC_ACI', 1 ,'' ,'PAA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'RCOOH' , 74.08 ,'' ,-1 ,'' ,-1 ,'VD_ORA' , 1 ,'PROPANOIC_ACID' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'BZCO3' ,137.12 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'PBZN' ,183.13 ,'' ,-1 ,'' ,-1 ,'VD_PAN' , 1 ,'PAN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'BZO' , 93.00 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'MACO3' ,101.08 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'MAPAN' ,147.09 ,'' ,-1 ,'' ,-1 ,'VD_PAN' , 1 ,'MPAN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'TBUO' , 73.00 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'RNO3' ,147.18 ,'' ,-1 ,'' ,-1 ,'VD_NTROH' , 1 ,'NTR_OH' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'MTNO3' ,231.00 ,'' ,-1 ,'' ,-1 ,'VD_MTNO3' , 1 ,'MTNO3' , 1 ,'MTNO3' ,'MTNO3' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ACETONE' , 58.08 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'ACETONE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'NPHE' ,139.11 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'2-NITROPHENOL' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'CRES' ,108.14 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'2-CRESOL' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'xOH' , 17.01 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'xNO2' , 46.01 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'xMEO2' , 47.03 ,'' ,-1 ,'' 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,'' ,'Yes' ,'Yes',\n'IPRD' ,100.12 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'xGLY' , 58.04 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'xMEK' , 72.11 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'xAFG1' , 98.10 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'xAFG2' , 98.10 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'GLY' , 58.04 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'GLYOXAL' , 1 ,'' ,'GLY' ,'Yes' ,'' ,'Yes' ,'Yes',\n'AFG1' , 98.10 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'AFG2' , 98.10 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'HCOCO3' , 89.00 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'BACL' , 86.09 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'BIACETYL' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'BALD' ,106.13 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'BENZALDEHYDE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'AFG3' ,124.14 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'xIPRD' ,100.12 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'MACR' , 70.09 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'METHACROLEIN' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'MVK' , 70.09 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'MVK' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'xHOCCHO' , 60.05 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'xRNO3' ,147.18 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'HOCCHO' , 60.05 ,'' ,-1 ,'' ,-1 ,'VD_GEN_ALD' , 1 ,'GENERIC_ALDEHYDE', 1 ,'' ,'GCOL' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'xACETONE' , 58.08 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'ACROLEIN' , 56.06 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'ACROLEIN' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'xBALD' ,106.13 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'xAFG3' ,124.74 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'xMACR' , 70.09 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'xMVK' , 70.09 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'yRAOOH' ,188.18 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'xACROLEIN' , 56.06 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'ETHENE' , 28.05 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'ETHENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'PROPENE' , 42.08 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'PROPENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'BUTADIENE13' , 54.09 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'13-BUTADIENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'ISOPRENE' , 68.12 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'ISOPRENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'APIN' ,136.23 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'PINENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'TRPRXN' ,136.00 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'TRPRXN' ,'' ,'' ,'' ,'' ,'' ,\n'ACETYLENE' , 26.04 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'ACETYLENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'BENZENE' , 78.11 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'BENZENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'BENZRO2' ,159.11 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'TOLUENE' , 92.14 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'TOLUENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'TOLRO2' ,172.14 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'MXYL' ,106.17 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'M-XYLENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'XYLRO2' ,187.17 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'OXYL' ,106.17 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'O-XYLENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'PXYL' ,106.17 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'P-XYLENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'TMBENZ124' ,120.19 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'124TRIMETH_BENZE', 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'ETOH' , 46.07 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'ETHANOL' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'ALK1' , 30.07 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'ETHANE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'ALK2' , 36.73 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'PROPANE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'ALK3' , 58.61 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'BUTANE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'ALK4' , 77.60 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'BUTANE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'ALK5' ,118.89 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'DECANE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'SOAALK' ,112.00 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'DECANE' , 1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'OLE1' , 72.34 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'ETHENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'OLE2' , 75.78 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'ETHENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'ARO1' , 95.16 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'TOLUENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'ARO2MN' ,118.72 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'O-XYLENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'NAPHTHAL' ,128.20 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'O-XYLENE' , 1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'PAHRO2' ,187.20 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'TERP' ,136.24 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'PINENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'TERPNRO2' ,197.00 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'SESQ' ,204.35 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'PINENE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'SESQRXN' ,204.35 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'SESQRXN' ,'' ,'' ,'' ,'' ,'' ,\n'CL2' , 70.00 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'CL2' , 1 ,'' ,'CL2' ,'Yes' ,'' ,'Yes' ,'Yes',\n'CL' , 35.50 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'CLNO' , 65.50 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'NITROSYL_CHLORID', 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'CLONO' , 81.50 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'CLNO2' , 81.50 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'NITRYL_CHLORIDE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'HCL' , 36.50 ,'' ,-1 ,'' ,-1 ,'VD_HCL' , 1 ,'HCL' , 1 ,'HCL' ,'HCL' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'CLO' , 51.50 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'CLONO2' , 97.45 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'HOCL' , 52.50 ,'' ,-1 ,'' ,-1 ,'VD_HOCL' , 1 ,'HOCL' , 1 ,'' ,'HOCL' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'xCL' , 35.50 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'xCLCCHO' , 78.50 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'xCLACET' , 92.50 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'' ,\n'CLCCHO' , 78.50 ,'' ,-1 ,'' ,-1 ,'VD_ALD' , 1 ,'CHLOROACETALDEHY', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'CLACET' , 92.50 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'CHLOROACETONE' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'CLCHO' , 64.50 ,'' ,-1 ,'' ,-1 ,'VD_FMCL' , 1 ,'FMCL' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'HCHO_PRIMARY' , 30.03 ,'' ,-1 ,'' ,-1 ,'VD_HCHO' ,0.7 ,'FORMALDEHYDE' , 1 ,'' ,'HCHOP' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'CCHO_PRIMARY' , 44.05 ,'' ,-1 ,'' ,-1 ,'VD_ALD' , 1 ,'ACETALDEHYDE' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ACRO_PRIMARY' , 56.06 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'ACROLEIN' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'ISOPO2' ,117.10 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'.' ,'' ,'Yes',\n'ISOPRXN' , 68.00 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'ISOPRXN' ,'' ,'' ,'' ,'' ,'' ,\n'ISOPND' ,147.10 ,'' ,-1 ,'' ,-1 ,'VD_NTRM' , 1 ,'HYDROXY_NITRATES', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ISOPNB' ,147.10 ,'' ,-1 ,'' ,-1 ,'VD_NTRM' , 1 ,'HYDROXY_NITRATES', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'HC5' ,100.10 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'DIBOO' ,133.10 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'ISOPOOH' ,118.10 ,'' ,-1 ,'' ,-1 ,'VD_IEPOX' ,1.5 ,'HYDROXY_PEROXIDE', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'HPALD' ,116.12 ,'' ,-1 ,'' ,-1 ,'VD_OP' , 1 ,'HYDROXY_PEROXIDE', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'HACET' , 74.10 ,'' ,-1 ,'' ,-1 ,'VD_HACET' , 1 ,'HACET' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'NISOPO2' ,162.10 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'NIT1' ,145.10 ,'' ,-1 ,'' ,-1 ,'VD_NTRM' , 1 ,'HYDROXY_NITRATES', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'NISOPOOH' ,163.13 ,'' ,-1 ,'' ,-1 ,'VD_NTRM' , 1 ,'HYDROXY_NITRATES', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'HC5OO' ,149.10 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'DHMOB' ,132.10 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'ISOPNOOD' ,196.10 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'PROPNN' ,119.10 ,'' ,-1 ,'' ,-1 ,'VD_PROPNN' , 1 ,'PROPNN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'MVKN' ,149.10 ,'' ,-1 ,'' ,-1 ,'VD_NTRM' , 1 ,'HYDROXY_NITRATES', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ETHLN' ,105.00 ,'' ,-1 ,'' ,-1 ,'VD_PROPNN' , 1 ,'PROPNN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'RNO3I' ,147.18 ,'' ,-1 ,'' ,-1 ,'VD_NTRM' , 1 ,'HYDROXY_NITRATES', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ISOPNOOB' ,196.10 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'MACRN' ,149.10 ,'' ,-1 ,'' ,-1 ,'VD_NTRM' , 1 ,'HYDROXY_NITRATES', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'NIT1NO3OOA' ,176.10 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'NIT1NO3OOB' ,239.10 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'ISOPNN' ,226.00 ,'' ,-1 ,'' ,-1 ,'VD_ISOPNN' , 1 ,'ISOPNN' , 1 ,'ISOPNN' ,'ISOPNN' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'NIT1OHOO' ,194.12 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'MVKOO' ,119.10 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'MACROO' ,119.10 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'PYRUACD' , 88.10 ,'' ,-1 ,'' ,-1 ,'VD_HNO3' , 1 ,'PYRUVIC_ACID' , 1 ,'' ,'PYRUV' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'IEPOX' ,118.13 ,'' ,-1 ,'' ,-1 ,'VD_IEPOX' ,1.5 ,'IEPOX' , 1 ,'IEPOX' ,'IEPOX' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'IEPOXOO' ,149.12 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'IMACO3' ,101.08 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'Yes' ,'' ,'' ,'Yes',\n'IMPAA' ,102.08 ,'' ,-1 ,'' ,-1 ,'VD_PAA' , 1 ,'PEROXYACETIC_ACI', 1 ,'' ,'PAA' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'IMAPAN' ,147.09 ,'' ,-1 ,'' ,-1 ,'VD_PAN' , 1 ,'MPAN' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'IMAE' ,102.00 ,'' ,-1 ,'' ,-1 ,'VD_ORA' , 1 ,'IMAE' , 1 ,'IMAE' ,'IMAE' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'IHMML' ,102.00 ,'' ,-1 ,'' ,-1 ,'VD_ORA' , 1 ,'PROPANOIC_ACID' , 1 ,'IHMML' ,'IHMML' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'H2NO3PIJ' , 64.00 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'H2NO3PK' , 64.00 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'IEPOXP' ,118.13 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'IMAEP' ,102.00 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'IHMMLP' ,102.00 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,'' ,'' ,'' ,'' ,'Yes',\n'VLVPO1' ,218.00 ,'' ,-1 ,'' ,-1 ,'VD_ORA' , 1 ,'ADIPIC_ACID' , 1 ,'VLVPO1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VSVPO1' ,230.00 ,'' ,-1 ,'' ,-1 ,'VD_ORA' , 1 ,'ADIPIC_ACID' , 1 ,'VSVPO1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VSVPO2' ,241.00 ,'' ,-1 ,'' ,-1 ,'VD_ORA' , 1 ,'ADIPIC_ACID' , 1 ,'VSVPO2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VSVPO3' ,253.00 ,'' ,-1 ,'' ,-1 ,'VD_ORA' , 1 ,'ADIPIC_ACID' , 1 ,'VSVPO3' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VIVPO1' ,266.00 ,'' ,-1 ,'' ,-1 ,'VD_ORA' , 1 ,'ADIPIC_ACID' , 1 ,'VIVPO1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VLVOO1' ,136.00 ,'' ,-1 ,'' ,-1 ,'VD_ORA' , 1 ,'ADIPIC_ACID' , 1 ,'VLVOO1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VLVOO2' ,136.00 ,'' ,-1 ,'' ,-1 ,'VD_ORA' , 1 ,'ADIPIC_ACID' , 1 ,'VLVOO2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VSVOO1' ,135.00 ,'' ,-1 ,'' ,-1 ,'VD_ORA' , 1 ,'ADIPIC_ACID' , 1 ,'VSVOO1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VSVOO2' ,135.00 ,'' ,-1 ,'' ,-1 ,'VD_ORA' , 1 ,'ADIPIC_ACID' , 1 ,'VSVOO2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'VSVOO3' ,134.00 ,'' ,-1 ,'' ,-1 ,'VD_ORA' , 1 ,'ADIPIC_ACID' , 1 ,'VSVOO3' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'PCVOC' ,170.00 ,'' ,-1 ,'' ,-1 ,'VD_GEN_ALD' , 1 ,'GENERIC_ALDEHYDE', 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'PCSOARXN' ,170.00 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'PCSOARXN' ,'' ,'' ,'' ,'' ,'' ,\n'SVAVB1' ,198.00 ,'' ,-1 ,'' ,-1 ,'VD_SVAVB1' , 1 ,'SVAVB1' , 1 ,'SVAVB1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVAVB2' ,179.00 ,'' ,-1 ,'' ,-1 ,'VD_SVAVB2' , 1 ,'SVAVB2' , 1 ,'SVAVB2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVAVB3' ,169.00 ,'' ,-1 ,'' ,-1 ,'VD_SVAVB3' , 1 ,'SVAVB3' , 1 ,'SVAVB3' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVAVB4' ,158.00 ,'' ,-1 ,'' ,-1 ,'VD_SVAVB4' , 1 ,'SVAVB4' , 1 ,'SVAVB4' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n/\n" }, { "path": "CCTM/src/MECHS/trac0/Species_Table_TR_0.nml", "content": "&TR_nml\n \nTR_SPECIES_DATA = \n\n/\n" }, { "path": "CCTM/src/MECHS/trac1/Species_Table_TR_1.nml", "content": "&TR_nml\n\nTR_SPECIES_DATA = \n\n!SPECIES ,MOLWT ,IC ,IC_FAC ,BC ,BC_FAC ,DRYDEP SURR,FAC ,WET-SCAV SURR ,FAC ,TR2AE SURR,TR2AQ SURR,ADVC ,DIFF ,DDEP ,WDEP ,CONC \n'ADV_25' ,1.0 ,'' ,-1 ,'' ,-1 , , , , ,'NA' ,'NA' ,'Yes' , , , ,'Yes',\n'ADV_26' ,1.0 ,'' ,-1 ,'' ,-1 , , , , ,'NA' ,'NA' ,'Yes' , , , ,'Yes',\n'ADV_27' ,1.0 ,'' ,-1 ,'' ,-1 , , , , ,'NA' ,'NA' ,'Yes' , , , ,'Yes',\n'ADV_28' ,1.0 ,'' ,-1 ,'' ,-1 , , , , ,'NA' ,'NA' ,'Yes' , , , ,'Yes',\n'ADV_29' ,1.0 ,'' ,-1 ,'' ,-1 , , , , ,'NA' ,'NA' ,'Yes' , , , ,'Yes',\n'ADV_30' ,1.0 ,'' ,-1 ,'' ,-1 , , , , ,'NA' ,'NA' ,'Yes' , , , ,'Yes',\n'ADV_31' ,1.0 ,'' ,-1 ,'' ,-1 , , , , ,'NA' ,'NA' ,'Yes' , , , ,'Yes',\n'ADV_32' ,1.0 ,'' ,-1 ,'' ,-1 , , , , ,'NA' ,'NA' ,'Yes' , , , ,'Yes',\n'ADV_33' ,1.0 ,'' ,-1 ,'' ,-1 , , , , ,'NA' ,'NA' ,'Yes' , , , ,'Yes',\n'ADV_34' ,1.0 ,'' ,-1 ,'' ,-1 , , , , ,'NA' ,'NA' ,'Yes' , , , ,'Yes',\n'TRN_25' ,1.0 ,'' ,-1 ,'' ,-1 ,'VD_O3' ,1 ,'O3' ,1 ,'NA' ,'NA' ,'Yes' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'TRN_26' ,1.0 ,'' ,-1 ,'' ,-1 ,'VD_O3' ,1 ,'O3' ,1 ,'NA' ,'NA' ,'Yes' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'TRN_27' ,1.0 ,'' ,-1 ,'' ,-1 ,'VD_O3' ,1 ,'O3' ,1 ,'NA' ,'NA' ,'Yes' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'TRN_28' ,1.0 ,'' ,-1 ,'' ,-1 ,'VD_O3' ,1 ,'O3' ,1 ,'NA' ,'NA' ,'Yes' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'TRN_29' ,1.0 ,'' ,-1 ,'' ,-1 ,'VD_O3' ,1 ,'O3' ,1 ,'NA' ,'NA' ,'Yes' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'TRN_30' ,1.0 ,'' ,-1 ,'' ,-1 ,'VD_O3' ,1 ,'O3' ,1 ,'NA' ,'NA' ,'Yes' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'TRN_31' ,1.0 ,'' ,-1 ,'' ,-1 ,'VD_O3' ,1 ,'O3' ,1 ,'NA' ,'NA' ,'Yes' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'TRN_32' ,1.0 ,'' ,-1 ,'' ,-1 ,'VD_O3' ,1 ,'O3' ,1 ,'NA' ,'NA' ,'Yes' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'TRN_33' ,1.0 ,'' ,-1 ,'' ,-1 ,'VD_O3' ,1 ,'O3' ,1 ,'NA' ,'NA' ,'Yes' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'TRN_34' ,1.0 ,'' ,-1 ,'' ,-1 ,'VD_O3' ,1 ,'O3' ,1 ,'NA' ,'NA' ,'Yes' ,'Yes' ,'Yes' ,'Yes' ,'Yes'\n/\n" }, { "path": "CCTM/src/PARIO/PIOGRID.EXT", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker] \nC $Header: /project/work/rep/PARIO/src/PIOGRID.EXT,v 1.1.1.1 1998/12/18 12:51:29 yoj Exp $\n\nC....................................................................\nC INCLUDE FILE PIOGRID.EXT\nC\nC CONTAINS: Grid-related variables for parallel Models-3 I/O\nC library routines.\nC \nC\nC DEPENDENT UPON: none\nC\nC REVISION HISTORY:\nC Original version 7/98 by Al Bourgeois (AJB).\nC Modified 08/28/98 by AJB to add BTHICK, MY_NROWS, MY_NCOLS,\nC and MAXCELLS.\nC....................................................................\n\n\nC Variables Description\nC --------- -----------\n\n INTEGER NPROWD ! Number of processors across grid rows.\n INTEGER NPCOLD ! Number of processors across grid columns.\n INTEGER GNROWS ! Number of rows in global grid.\n INTEGER GNCOLS ! Number of columns in global grid.\n INTEGER GNLAYS ! Number of layers in global grid.\n INTEGER BTHICK ! Cell thickness of grid boundary.\n INTEGER NUMROWS ! Row dimension of local-processor arrays.\n INTEGER NUMCOLS ! Column dimension of local-processor arrays.\n INTEGER MY_NROWS ! Local number of grid rows actually used.\n INTEGER MY_NCOLS ! Local number of grid columns actually used.\n INTEGER MAXCELLS ! Maximum subdomain size (# cells) over PEs.\n INTEGER NGB_PE(8) ! PE neighborhood, first north then clockwise:\n ! 8 1 2\n ! 7 3\n ! 6 5 4\n\n COMMON / PIOGRID / ! type\n & NPROWD, ! INTEGER\n & NPCOLD, ! INTEGER\n & GNROWS, ! INTEGER\n & GNCOLS, ! INTEGER\n & GNLAYS, ! INTEGER\n & BTHICK, ! INTEGER\n & NUMROWS, ! INTEGER\n & NUMCOLS, ! INTEGER\n & MY_NROWS, ! INTEGER\n & MY_NCOLS, ! INTEGER\n & MAXCELLS, ! INTEGER\n & NGB_PE ! INTEGER\n\n" }, { "path": "CCTM/src/PARIO/PIOVARS.EXT", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker] \nC $Header: /project/work/rep/PARIO/src/PIOVARS.EXT,v 1.2 2002/06/25 14:26:59 yoj Exp $\n\nC....................................................................\nC INCLUDE FILE PIOVARS.EXT\n \nC CONTAINS: Variables for parallel Models-3 I/O\nC library routines.\n \nC DEPENDENT UPON: none\n \nC REVISION HISTORY:\nC Original version 2/96 by Al Bourgeois (AJB).\nC Modified 6/98 by AJB for PAR_IO library. Removed species dim.\nC Modified 07/08/1998 by AJB to add NPROW, NPCOL, IO_GRP, MY_IO_PE.\nC Modified 07/29/1998 by AJB to move grid variables to another file.\nC Modified 08/28/1998 by AJB to remove MY_NROWS, MY_NCOLS, MAXCELLS.\nC 12 Apr 2001, J. Young - eliminate I/O group idea\nC....................................................................\n\nC Variables Description\nC --------- -----------\n\n INTEGER MY_PE ! Local processor id.\n INTEGER IO_PE ! Id of primary processor used for log file\n\n COMMON / PIOVARS /\n & MY_PE,\n & IO_PE\n\n" }, { "path": "CCTM/src/PARIO/alloc_data_mod.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/work/rep/PARIO/src/alloc_data_mod.f,v 1.2 2006/06/05 17:36:42 yoj Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC....................................................................\nC CONTAINS: Allocated variables used by pwrgrdd\n \nC REVISION HISTORY:\nC Original version 01/10/05 by David Wong\nC....................................................................\n\n MODULE ALLOC_DATA_MODULE\n\n REAL, ALLOCATABLE, SAVE :: WRITBUF( :,:,: )\n REAL, ALLOCATABLE, SAVE :: RECVBUF( : )\n\n END MODULE ALLOC_DATA_MODULE\n" }, { "path": "CCTM/src/PARIO/get_write_map.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/work/rep/PARIO/src/get_write_map.f,v 1.6 2011/10/20 22:49:57 sjr Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\n SUBROUTINE GET_WRITE_MAP( NP, NPC, NPR, NCOLS3D, NROWS3D, NLAYS3D )\nC.....................................................................\n \nC PURPOSE: Determine the processor-to-grid map for the grid\nC to be written.\n \nC REVISION HISTORY: \nC Original version 1/1999 by Al Bourgeois, to allow pwrite3 to\nC write output on a subgrid.\nC Modified 08/06/1999 by Al Bourgeois to make this a subroutine\nC instead of a function.\nC Modified 10/08/01 by David Wong\nC -- added a missing variable IERR in the SUBDMAP calling arguments\nC Modified 12/31/02 by David Wong\nC -- extended to handle dot file\nC 6 May 06 J.Young\nC 24 Aug 11 David Wong: extended the implementation to handle window\nC MET_CRO_3D file\n \nC ARGUMENT LIST DESCRIPTION:\nC E1 in PIOGRID.EXT\nC M2 in PIOMAPS_MODULE\nC IN:\nC INTEGER NP ! Number of processors\nC INTEGER NPC ! Number of processors across grid cols\nC INTEGER NPR ! Number of processors across grid rows\nC INTEGER GNCOLS E1 ! Column dimension of global domain\nC INTEGER GNROWS E1 ! Row dimension of global domain\nC INTEGER NCOLS3D ! Column dimension of file variables\nC INTEGER NROWS3D ! Row dimension of file variables\nC INTEGER NLAYS3D ! Layer dimension of file variable\nC INTEGER NCOLS_PE(NP) M2 ! Number columns in each processor\nC INTEGER NROWS_PE(NP) M2 ! Number rows in each processor\nC INTEGER COLSX_PE(2,NP) M2 ! Column range for each PE\nC INTEGER ROWSX_PE(2,NP) M2 ! Row range for each PE\n\nC OUT:\nC INTEGER WR_NCOLS_PE(NP) M2 ! No. cols of each PE subgrid to write\nC INTEGER WR_NROWS_PE(NP) M2 ! No. rows of each PE subgrid to write\nC INTEGER WR_COLSX_PE(2,NP) M2 ! Col range of each PE subgrid to write\nC INTEGER WR_ROWSX_PE(2,NP) M2 ! Row range of each PE subgrid to write\n \nC CALLS: SUBDMAP\nC........................................................................\n\n USE PIOMAPS_MODULE\n\n IMPLICIT NONE\n\n INCLUDE 'PIOGRID.EXT'\n \nC Arguments:\n\n INTEGER NP ! Number of processors \n INTEGER NPR ! Number of processors across grid rows\n INTEGER NPC ! Number of processors across grid cols\n INTEGER NCOLS3D ! Column dimension of file variables\n INTEGER NROWS3D ! Row dimension of file variables\n INTEGER NLAYS3D ! Layer dimension of file variable\n \nC Local Variables: \n\n INTEGER I ! Loop index\n INTEGER IDUMMY ! Dummy argument to SUBDMAP, not used\n INTEGER IERR ! Return Error code\n\nC........................................................................\n\nC Determine the processor-to-subdomain mapping for the grid to\nC be written. If the file variables to be written are defined on\nC the entire (global) domain, load the previously defined\nC decomposition map. Otherwise, get the new mapping on the subgrid.\n\n IF (( NCOLS3D .EQ. GNCOLS) .AND. ( NROWS3D .EQ. GNROWS )) THEN\n\nC Set the full-grid processor-to-subdomain mapping\n\n DO I = 1, NP\n WR_NCOLS_PE( I ) = NCOLS_PE( I )\n WR_NROWS_PE( I ) = NROWS_PE( I )\n WR_COLSX_PE( 1,I ) = COLSX_PE( 1,I )\n WR_COLSX_PE( 2,I ) = COLSX_PE( 2,I )\n WR_ROWSX_PE( 2,I ) = ROWSX_PE( 2,I )\n WR_ROWSX_PE( 1,I ) = ROWSX_PE( 1,I )\n END DO\n\n ELSE IF (( NCOLS3D .EQ. GNCOLS+1) .AND. ( NROWS3D .EQ. GNROWS+1 )) THEN\n\nC Set the dot full-grid processor-to-subdomain mapping\n\n DO I = 1, NP\n WR_NCOLS_PE( I ) = NCOLS_PE( I )\n WR_NROWS_PE( I ) = NROWS_PE( I )\n WR_COLSX_PE( 1,I ) = COLSX_PE( 1,I )\n WR_COLSX_PE( 2,I ) = COLSX_PE( 2,I )\n WR_ROWSX_PE( 2,I ) = ROWSX_PE( 2,I )\n WR_ROWSX_PE( 1,I ) = ROWSX_PE( 1,I )\n END DO\n\n DO I = NPC, NP, NPC\n WR_NCOLS_PE( I ) = NCOLS_PE( I ) + 1\n WR_COLSX_PE( 2,I ) = COLSX_PE( 2,I ) + 1\n END DO\n\n DO I = NP, NP-NPC+1, -1\n WR_NROWS_PE( I ) = NROWS_PE( I ) + 1\n WR_ROWSX_PE( 2,I ) = ROWSX_PE( 2,I ) + 1\n END DO\n\n ELSE IF (( NCOLS3D .EQ. GNCOLS+2) .AND. ( NROWS3D .EQ. GNROWS+2 )) THEN\n\nC Set the extended cross full-grid processor-to-subdomain mapping\n\n DO I = 1, NP\n WR_NCOLS_PE( I ) = NCOLS_PE( I )\n WR_NROWS_PE( I ) = NROWS_PE( I )\n WR_COLSX_PE( 1,I ) = COLSX_PE( 1,I ) + 1\n WR_COLSX_PE( 2,I ) = COLSX_PE( 2,I ) + 1\n WR_ROWSX_PE( 2,I ) = ROWSX_PE( 2,I ) + 1\n WR_ROWSX_PE( 1,I ) = ROWSX_PE( 1,I ) + 1\n END DO\n\n DO I = 1, NPC ! south\n WR_NROWS_PE( I ) = NROWS_PE( I ) + 1\n WR_ROWSX_PE( 1,I ) = WR_ROWSX_PE( 1,I ) - 1\n END DO\n\n DO I = 1, NP, NPC ! west\n WR_NCOLS_PE( I ) = NCOLS_PE( I ) + 1\n WR_COLSX_PE( 1,I ) = WR_COLSX_PE( 1,I ) - 1\n END DO\n\n DO I = NPC, NP, NPC ! east\n WR_NCOLS_PE( I ) = NCOLS_PE( I ) + 1\n WR_COLSX_PE( 2,I ) = WR_COLSX_PE( 2,I ) + 1\n END DO\n\n DO I = NP, NP-NPC+1, -1 ! north\n WR_NROWS_PE( I ) = NROWS_PE( I ) + 1\n WR_ROWSX_PE( 2,I ) = WR_ROWSX_PE( 2,I ) + 1\n END DO\n\n ELSE\n\nC Get the subgrid processor-to_subdomain mapping\n\n CALL SUBDMAP( NP, NCOLS3D, NROWS3D, NLAYS3D, NPC, NPR,\n & NCOLS_PE, NROWS_PE, COLSX_PE, ROWSX_PE,\n & IDUMMY, IERR )\n\n END IF\n \n RETURN\n END\n" }, { "path": "CCTM/src/PARIO/parutilio.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/work/rep/PARIO/src/parutilio.f,v 1.2 2012/04/11 13:47:45 sjr Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC....................................................................\nC CONTAINS: Interface for PAR I/O procedures\nC\nC REVISION HISTORY:\nC Original version 02/11 by Shawn Roselle\nC Modified 12/09/2015 by David Wong\nC -- Added an optional argument in PIO_RE_INIT routine\nC Modified 01/26/2016 by Jeff Young\nC -- Change WFLG to an optional argument, eliminate PIO_RE_INIT, and make\nC PIO_INIT the only routine with a new optional IO_PE_INCLUSIVE argument;\nC replace WRSUBMAP with the new WRSUBDMAP\nC Modified 02/01/2019 by David Wong\nC removed unnecessary function declaration\nC....................................................................\n\n MODULE PARUTILIO\n\n IMPLICIT NONE\n\nC...Declare PWRITE3 outside the interface block: with check interface\nC... option, compilers complained about type mismatches for buffer \nC... array passed to function PWRITE3 (when included in interface).\n\n LOGICAL, EXTERNAL :: PWRITE3\n\nC...Interface\n\n INTERFACE\n\n! SUBROUTINE BOUNDARY ( GNBNDY, NBNDY, NLAYS, BTHICK, NEIGHBOR,\n! & MY_COL1, MY_ROW1, NCOL, NROW,\n! & GNCOLS, GNROWS, GARRAY, LARRAY )\n! INTEGER :: NLAYS\n! INTEGER :: NBNDY\n! INTEGER :: GNBNDY\n! INTEGER :: BTHICK\n! INTEGER :: NEIGHBOR(8)\n! INTEGER :: MY_COL1\n! INTEGER :: MY_ROW1\n! INTEGER :: NCOL\n! INTEGER :: NROW\n! INTEGER :: GNCOLS\n! INTEGER :: GNROWS\n! REAL :: GARRAY( GNBNDY,NLAYS )\n! REAL :: LARRAY( NBNDY,NLAYS )\n! END SUBROUTINE BOUNDARY\n\n SUBROUTINE GET_WRITE_MAP ( NP, NPC, NPR, NCOLS3D, NROWS3D, NLAYS3D )\n INTEGER :: NP\n INTEGER :: NPC\n INTEGER :: NPR\n INTEGER :: NCOLS3D\n INTEGER :: NROWS3D\n INTEGER :: NLAYS3D\n END SUBROUTINE GET_WRITE_MAP\n\n! LOGICAL FUNCTION GROWBUF( PTR_ARRAY, END )\n! USE PINTERPB_MODULE\n! TYPE (MEM_TYPE) :: PTR_ARRAY\n! INTEGER, INTENT(IN) :: END\n! END FUNCTION GROWBUF\n\n LOGICAL FUNCTION GTNDXHDV( FILE, VAR, JDATE, JTIME, VARSIZE, NBVS,\n & ENDBUF, VX, NEWVAR )\n CHARACTER(16) :: FILE\n CHARACTER(16) :: VAR\n INTEGER :: JDATE\n INTEGER :: JTIME\n INTEGER :: VARSIZE\n INTEGER :: NBVS\n INTEGER :: ENDBUF\n INTEGER :: VX\n LOGICAL :: NEWVAR\n END FUNCTION GTNDXHDV\n\n LOGICAL FUNCTION INTERPOL( DATE, TIME, DATE1, TIME1, DATE2, TIME2,\n & NUMVALS, VALSIN1, VALSIN2, VALSOUT, S_IND, E_IND )\n INTEGER, INTENT(IN) :: NUMVALS\n INTEGER, INTENT(IN) :: DATE\n INTEGER, INTENT(IN) :: TIME\n INTEGER, INTENT(IN) :: DATE1\n INTEGER, INTENT(IN) :: TIME1\n INTEGER, INTENT(IN) :: DATE2\n INTEGER, INTENT(IN) :: TIME2\n REAL, INTENT(IN) :: VALSIN1( NUMVALS )\n REAL, INTENT(IN) :: VALSIN2( NUMVALS )\n REAL, INTENT(OUT) :: VALSOUT( NUMVALS )\n INTEGER, INTENT(IN), OPTIONAL :: S_IND, E_IND\n END FUNCTION INTERPOL\n\n! LOGICAL FUNCTION PINTERPB( FILNAME, VARNAME, CALLER, JDATE, JTIME,\n! & VSIZE, VARRAY, LVL )\n! INTEGER, INTENT(IN) :: VSIZE\n! CHARACTER(16), INTENT(IN) :: FILNAME\n! CHARACTER(*), INTENT(IN) :: VARNAME\n! CHARACTER(*), INTENT(IN) :: CALLER\n! INTEGER, INTENT(IN) :: JDATE\n! INTEGER, INTENT(IN) :: JTIME\n! REAL, INTENT(OUT) :: VARRAY( VSIZE )\n! INTEGER, INTENT(IN), OPTIONAL :: LVL\n! END FUNCTION PINTERPB\n\n LOGICAL FUNCTION PIO_INIT( colrow, gl_ncols, gl_nrows, nlays,\n & nthik, ncols, nrows, npcol, nprow,\n & nprocs, mype, wflg, io_pe_inclusive )\n CHARACTER(2), INTENT(INOUT) :: colrow\n INTEGER, INTENT(IN) :: gl_ncols\n INTEGER, INTENT(IN) :: gl_nrows\n INTEGER, INTENT(IN) :: nlays\n INTEGER, INTENT(IN) :: nthik\n INTEGER, INTENT(IN) :: ncols\n INTEGER, INTENT(IN) :: nrows\n INTEGER, INTENT(IN) :: npcol\n INTEGER, INTENT(IN) :: nprow\n INTEGER, INTENT(IN) :: nprocs\n INTEGER, INTENT(IN) :: mype\n LOGICAL, INTENT(IN), OPTIONAL :: wflg\n LOGICAL, INTENT(IN), OPTIONAL :: io_pe_inclusive\n END FUNCTION PIO_INIT\nC Note: more than one optional argument requires that the caller calls by name\n\n SUBROUTINE PM3ERR ( CALLER, JDATE, JTIME, ERRTXT, FATAL )\n CHARACTER(*) :: CALLER\n INTEGER :: JDATE\n INTEGER :: JTIME\n CHARACTER(*) :: ERRTXT\n LOGICAL :: FATAL\n END SUBROUTINE PM3ERR\n\n SUBROUTINE PM3EXIT ( CALLER, JDATE, JTIME, MSGTXT, EXITSTAT )\n CHARACTER(*) :: CALLER\n INTEGER :: JDATE\n INTEGER :: JTIME\n CHARACTER(*) :: MSGTXT\n INTEGER :: EXITSTAT\n END SUBROUTINE PM3EXIT\n\n SUBROUTINE PM3WARN ( CALLER, JDATE, JTIME, ERRTXT )\n CHARACTER(*) :: CALLER\n INTEGER :: JDATE\n INTEGER :: JTIME\n CHARACTER(*) :: ERRTXT\n END SUBROUTINE PM3WARN\n\n LOGICAL FUNCTION PSHUT3 ()\n END FUNCTION PSHUT3\n\n LOGICAL FUNCTION PTRWRITE3( FNAME, VNAME, JDATE, JTIME, BUFFER )\n CHARACTER(*) :: FNAME\n CHARACTER(*) :: VNAME\n INTEGER :: JDATE\n INTEGER :: JTIME\n REAL, POINTER :: BUFFER( :,:,:,: )\n END FUNCTION PTRWRITE3\n\n LOGICAL FUNCTION PWRGRDD( FILNAME, VARNAME, DATE, TIME, BUFFER,\n & NCOLS3D, NROWS3D, NLAYS3D, NCOLS, NROWS,\n & NP )\n INTEGER :: NROWS\n INTEGER :: NCOLS\n INTEGER :: NLAYS3D\n CHARACTER(*) :: FILNAME\n CHARACTER(*) :: VARNAME\n INTEGER :: DATE\n INTEGER :: TIME\n REAL :: BUFFER( NCOLS,NROWS,NLAYS3D )\n INTEGER :: NCOLS3D\n INTEGER :: NROWS3D\n INTEGER :: NP\n END FUNCTION PWRGRDD\n\n LOGICAL FUNCTION READBNDY( FILNAME, VARNAME, VX, NBNDY, NLAYS,\n & DATE, TIME, RFLAG, FLIP )\n CHARACTER(16) :: FILNAME\n CHARACTER(16) :: VARNAME\n INTEGER :: VX\n INTEGER :: NBNDY\n INTEGER :: NLAYS\n INTEGER :: DATE(2)\n INTEGER :: TIME(2)\n INTEGER :: RFLAG\n INTEGER :: FLIP\n END FUNCTION READBNDY\n\n SUBROUTINE SUBDMAP ( NUMPROCS, NCOLS, NROWS, NLAYS, NPCOL, NPROW,\n & NCOLS_PE, NROWS_PE, COLSX_PE, ROWSX_PE,\n & MAXCELLS, IERR )\n INTEGER :: NUMPROCS\n INTEGER :: NCOLS\n INTEGER :: NROWS\n INTEGER :: NLAYS\n INTEGER :: NPCOL\n INTEGER :: NPROW\n INTEGER :: NCOLS_PE( NUMPROCS )\n INTEGER :: NROWS_PE( NUMPROCS )\n INTEGER :: COLSX_PE( 2,NUMPROCS )\n INTEGER :: ROWSX_PE( 2,NUMPROCS )\n INTEGER :: MAXCELLS\n INTEGER :: IERR\n END SUBROUTINE SUBDMAP\n\n SUBROUTINE WRSUBDMAP ( NUMPROCS, NCOLS_PE, NROWS_PE, COLSX_PE,\n & ROWSX_PE )\n INTEGER :: NUMPROCS\n INTEGER :: NCOLS_PE(*)\n INTEGER :: NROWS_PE(*)\n INTEGER :: COLSX_PE(2,*)\n INTEGER :: ROWSX_PE(2,*)\n END SUBROUTINE WRSUBDMAP\n\n END INTERFACE\n\n END MODULE PARUTILIO\n\n" }, { "path": "CCTM/src/PARIO/pio_init.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker] \nC $Header: /project/work/rep/PARIO/src/pio_re_init.f,v 1.6 2011/03/30 18:13:02 sjr Exp $\n\n LOGICAL FUNCTION PIO_INIT ( COLROW, GL_NCOLS, GL_NROWS, NLAYS,\n & NTHIK, NCOLS, NROWS, NPCOL, NPROW,\n & NPROCS, MYPE, WFLG, IO_PE_INCLUSIVE )\nC ....................................................................\n \nC PURPOSE: Initialize parallel Models-3 I/O API library routines.\nC This includes starting up the I/O API and calculating\nC processor-to-subdomain maps.\n \nC RETURN VALUE: The function as written always returns a value of TRUE.\nC (i.e., this could have been written as a subroutine, but is\nC written as a FUNCTION in the anticipation that failure conditions\nC will be added.) If subroutine ALLOINT a non-zero error code,\nC M3WARN is called and execution is terminated. Subroutine\nC SUBDMAP will also terminate program execution if an error is\nC detected during memory allocation.\n \nC REVISION HISTORY: \nC Original version 2/96 by Al Bourgeois for parallel implementation\nC Modified 6/98 by AJB for PAR_IO library, added error code\nC Modified 07/08/1998 by AJB to set IO_GRP and MY_IO_PE\nC Modified 07/29/1998 by AJB to allow setting of NPROW, NPCOL outside\nC Also added synchronization of return code across processors\nC Modified 08/25/1998 to remove MPI initialization, and to pass in\nC grid decomposition variables through the argument list\nC Modified 12/07/1998 by Al Bourgeois to add EXTERNAL declarations\nC Modified 01/26/1999 by Al Bourgeois to allocate memory for write maps\nC Modified 06/16/1999 by Al Bourgeois to remove interprocessor\nC synchronization. This removes the guarantee that all processors\nC return the same error code, and a \"hang\" state can occur if\nC PM3EXIT is not called on the condition that this function fails\nC Modified 08/06/1999 by Al Bourgeois to simplify error handling\nC 12 Apr 2001 by J. Young to eliminate I/O processors\nC Modified 02/06/2004 by David Wong\nC -- uses f90 syntax to allocate memory to avoid using DYNMEM\nC library\nC Modified 08/26/2004 by David Wong\nC -- added a statement to check whether allocated memory is already\nC exist\nC 01/07/2006 Jeff Young, add arg list flag to optionally print\nC decomposition map\nC Modified 02/23/2011 by Shawn Roselle\nC -- Replaced I/O API include files with M3UTILIO\nC Modified 12/05/2015 by David Wong\nC -- Initialized PIO_GL_NCOLS and PIO_GL_NROWS\nC Modified 12/09/2015 by David Wong\nC -- Added an optional argument in PIO_RE_INIT routine\nC Modified 01/26/2016 by Jeff Young\nC -- Change WFLG to an optional argument and make PIO_RE_INIT the only\nC PIO_INIT routine\n \nC ARGUMENT LIST DESCRIPTION:\nC IN:\nC CHARACTER( 2 ) :: COLROW ! Columns/Rows orientation check\nC INTEGER GL_NCOLS ! Number of columns in entire grid\nC INTEGER GL_NROWS ! Number of rows in entire grid\nC INTEGER NLAYS ! Number of layers in entire grid\nC INTEGER NTHIK ! Cell thickness of grid boundary\nC INTEGER NPCOL ! Number of processors across grid columns\nC INTEGER NPROW ! Number of processors across grid rows\nC INTEGER NCOLS ! Column dimension of local-processor arrays\nC INTEGER NROWS ! Row dimension of local-processor arrays\nC INTEGER NPROCS ! Number of processors\nC INTEGER MYPE ! Local processor id\nC LOGICAL WFLG ! If present print out decompostion map\nC LOGICAL IO_PE_INCLUSIVE ! If present\n \nC OUT:\nC COMMON BLOCK PIOGRID:\nC INTEGER NPCOLD ! Number of processors across grid columns\nC INTEGER NPROWD ! Number of processors across grid rows\nC INTEGER GNCOLS ! Number of columns in global grid\nC INTEGER GNROWS ! Number of rows in global grid\nC INTEGER BTHICK ! Cell thickness of grid boundary\nC INTEGER NUMCOLS ! Column dimension of local-processor arrays\nC INTEGER NUMROWS ! Row dimension of local-processor arrays\nC INTEGER MY_NCOLS ! Local number of grid columns\nC INTEGER MY_NROWS ! Local number of grid rows\nC INTEGER MAXCELLS ! Maximum subdomain size over PEs\nC INTEGER NGB_PE(8) ! PE neighborhood, first north then clockwise\n \nC COMMON BLOCK PIOVARS:\nC INTEGER MY_PE ! Local processor id\nC INTEGER IO_PE ! Id of processor used for file I/O\n \nC COMMON BLOCK PIOMAPS:\nC INTEGER NUMPROCS ! Number of processors\nC INTEGER NCOLS_PE(NUMPROCS) ! Number columns in each processor\nC INTEGER NROWS_PE(NUMPROCS) ! Number rows in each processor\nC INTEGER COLSX_PE(2,NUMPROCS) ! Column range for each PE\nC INTEGER ROWSX_PE(2,NUMPROCS) ! Row range for each PE\n \nC LOCAL VARIABLE DESCRIPTION: see below\n \nC CALLS: SUBDMAP, WRSUBDMAP, ALLOINT, SETINT, M3WARN\n \nC NOTES: Uses dynamic memory allocation for processor-to-subdomain\nC maps NROWS_PE, ROWSX_PE, NCOLS_PE, and COLSX_PE\n \nC To hide parallelism, domain decomposition information is maintained\nC via COMMON blocks instead of subroutine arguments.\n \nC The group-I/O flag, IO_GRP, determines if a processor will partici-\nC pate in file reading operations. This depends on the arrangement\nC of processors distributed across grid rows (NPROW). The following\nC diagram shows the situation for an example subdomain layout. In the\nC example, IO_GRP would be set to 1 on PE 0 and PE 4, and set to 0 on\nC all other PEs.\n \nC NPCOL\nC Example subdomain layout _____________________________________\nC for 8 processors with | | | | |\nC NPROW=2, NPCOL=4 | I/O | | | |\nC | 4 | 5 | 6 | 7 |\nC PE 0 will read | | | | |\nC for PEs 0,1,2,3 NPROW |_________|_________|________|________|\nC | | | | |\nC PE 4 will read | I/O | | | |\nC for PEs 4,5,6,7 | 0 | 1 | 2 | 3 |\nC | | | | |\nC | | | | |\nC |_________|_________|________|________|\n \nC .......................................................................\n\n USE PIOMAPS_MODULE\n USE M3UTILIO ! i/o api\n\n IMPLICIT NONE\n\nC INCLUDE FILES\n\n INCLUDE 'PIOGRID.EXT' ! Parallel grid dimensions\n INCLUDE 'PIOVARS.EXT' ! Parameters for parallel implementation\n! INCLUDE 'PIOMAPS.EXT' ! Parallel processor-to-subdomain maps\n\nC ARGUMENTS:\n\n CHARACTER( 2 ), INTENT( INOUT ) :: COLROW ! Columns/Rows orientation check\n INTEGER, INTENT( IN ) :: GL_NCOLS ! Number of columns in entire grid\n INTEGER, INTENT( IN ) :: GL_NROWS ! Number of rows in entire grid\n INTEGER, INTENT( IN ) :: NLAYS ! Number of layers in entire grid\n INTEGER, INTENT( IN ) :: NTHIK ! Cell thickness of grid boundary\n INTEGER, INTENT( IN ) :: NPCOL ! Number of processors across grid cols\n INTEGER, INTENT( IN ) :: NPROW ! Number of processors across grid rows\n INTEGER, INTENT( IN ) :: NCOLS ! Col dimension of local-processor arrays\n INTEGER, INTENT( IN ) :: NROWS ! Row dimension of local-processor arrays\n INTEGER, INTENT( IN ) :: NPROCS ! Number of processors\n INTEGER, INTENT( IN ) :: MYPE ! Local processor id\n LOGICAL, INTENT( IN ), OPTIONAL :: WFLG ! If present print out decomposition map\n LOGICAL, INTENT( IN ), OPTIONAL :: IO_PE_INCLUSIVE\n\nC EXTERNAL FUNCTIONS:\n\n EXTERNAL SUBDMAP, WRSUBDMAP ! Parallel M3IO library\n\nC LOCAL VARIABLES: \n\n INTEGER I ! Loop index\n INTEGER J ! Loop index\n INTEGER LOCI ! Row index of MYPE in Cartesian coordinate\n INTEGER LOCJ ! Col. index of MYPE in Cartesian coordinate\n INTEGER POS ! Index into neighborhood conversion table\n INTEGER CONV( 8 ) ! Processor neighborhood conversion table\n INTEGER IERROR ! Error code\n INTEGER LOGDEV ! FORTRAN unit number for log file\n CHARACTER( 80 ) :: MSG ! For message issued from M3WARN\n CHARACTER( 16 ), SAVE :: PNAME = 'PIO_INIT'\n LOGICAL, SAVE :: FIRST_TIME = .TRUE.\n\nC Equivalence of the conversion table:\nC\nC (LOCI+1, LOCJ-1) (LOCI+1, LOCJ) (LOCI+1, LOCJ+1) 8 1 2\nC ( LOCI, LOCJ-1) ( LOCI, LOCJ) ( LOCI, LOCJ+1) equivalent to 7 3\nC (LOCI-1, LOCJ-1) (LOCI-1, LOCJ) (LOCI-1, LOCJ+1) 6 5 4\n DATA CONV / 8, 1, 2, 7, 3, 6, 5, 4 /\n\nC .......................................................................\n\nC Initialize return value and error code\n CALL UPCASE ( COLROW )\n IF ( COLROW .eq. 'CR' ) THEN\n PIO_INIT = .TRUE.\n ELSE\n MSG = 'Argument list must have cols/rows orientation.'\n CALL M3WARN( PNAME, 0, 0, MSG )\n PIO_INIT = .FALSE.; RETURN\n END IF\n IERROR = 0\n\nC Set COMMON block variables.\n NUMPROCS = NPROCS ! Number of processors A\n MY_PE = MYPE ! Local processor id B\n IO_PE = 0 ! I/O processor id B\n NPCOLD = NPCOL ! Number of processors across grid columns C\n NPROWD = NPROW ! Number of processors across grid rows C\n GNCOLS = GL_NCOLS ! Number of columns in global grid C\n GNROWS = GL_NROWS ! Number of rows in global grid C\n GNLAYS = NLAYS ! Number of layers in global grid C\n BTHICK = NTHIK ! Cell thickness of grid boundary C\n NUMCOLS = NCOLS ! Number of columns in local subgrid C\n NUMROWS = NROWS ! Number of rows in local subgrid C\n PIO_GL_NCOLS = GL_NCOLS ! Number of columns in global grid C\n PIO_GL_NROWS = GL_NROWS ! Number of rows in global grid C\nC A - PIOMAPS_MODULE\nC B - PIOVARS.EXT\nC C - PIOGRID.EXT\n\nC set flag in PIOMAPS_MODULE for PSHUT3\n\n IF ( PRESENT( IO_PE_INCLUSIVE ) ) THEN\n PARIO_IO_PE_INCLUSIVE = IO_PE_INCLUSIVE\n END IF\n\nC Compute processor neighborhood\n\n LOCI = MY_PE / NPCOL\n LOCJ = MOD ( MY_PE, NPCOL )\n POS = 0\n DO I = LOCI+1, LOCI-1, -1\n DO J = LOCJ-1, LOCJ+1\n IF ( ( I .NE. LOCI ) .OR. ( J .NE. LOCJ ) ) THEN\n POS = POS + 1\n IF ( ( I .GE. 0 ) .AND.\n & ( I .LT. NPROW ) .AND.\n & ( J .GE. 0 ) .AND.\n & ( J .LT. NPCOL ) ) THEN\n NGB_PE( CONV( POS ) ) = I * NPCOL + J\n ELSE\n NGB_PE( CONV( POS ) ) = -1\n END IF\n END IF\n END DO\n END DO\n\nC Allocate memory for processor-to-subdomain maps\n\n IF ( .NOT. ALLOCATED ( NCOLS_PE ) ) THEN\n ALLOCATE ( NCOLS_PE( NUMPROCS ), STAT = IERROR )\n IF ( IERROR .NE. 0 ) THEN\n MSG = 'Error allocating NCOLS_PE.'\n CALL M3WARN( PNAME, 0, 0, MSG )\n PIO_INIT = .FALSE.; RETURN\n END IF\n\n ALLOCATE ( NROWS_PE( NUMPROCS ), STAT = IERROR )\n IF ( IERROR .NE. 0 ) THEN\n MSG = 'Error allocating NROWS_PE.'\n CALL M3WARN( PNAME, 0, 0, MSG )\n PIO_INIT = .FALSE.; RETURN\n END IF\n\n ALLOCATE ( COLSX_PE( 2,NUMPROCS ), STAT = IERROR )\n IF ( IERROR .NE. 0 ) THEN\n MSG = 'Error allocating COLSX_PE.'\n CALL M3WARN( PNAME, 0, 0, MSG )\n PIO_INIT = .FALSE.; RETURN\n END IF\n\n ALLOCATE ( ROWSX_PE( 2,NUMPROCS ), STAT = IERROR )\n IF ( IERROR .NE. 0 ) THEN\n MSG = 'Error allocating ROWSX_PE.'\n CALL M3WARN( PNAME, 0, 0, MSG )\n PIO_INIT = .FALSE.; RETURN\n END IF\n\nC Allocate memory for processor-to-subdomain write maps\n\n ALLOCATE ( WR_NCOLS_PE( NUMPROCS ), STAT = IERROR )\n IF ( IERROR .NE. 0 ) THEN\n MSG = 'Error allocating WR_NCOLS_PE.'\n CALL M3WARN( PNAME, 0, 0, MSG )\n PIO_INIT = .FALSE.; RETURN\n END IF\n\n ALLOCATE ( WR_NROWS_PE( NUMPROCS ), STAT = IERROR )\n IF ( IERROR .NE. 0 ) THEN\n MSG = 'Error allocating WR_NROWS_PE.'\n CALL M3WARN( PNAME, 0, 0, MSG )\n PIO_INIT = .FALSE.; RETURN\n END IF\n\n ALLOCATE ( WR_COLSX_PE( 2,NUMPROCS ), STAT = IERROR )\n IF ( IERROR .NE. 0 ) THEN\n MSG = 'Error allocating WR_COLSX_PE.'\n CALL M3WARN( PNAME, 0, 0, MSG )\n PIO_INIT = .FALSE.; RETURN\n END IF\n\n ALLOCATE ( WR_ROWSX_PE( 2,NUMPROCS ), STAT = IERROR )\n IF ( IERROR .NE. 0 ) THEN\n MSG = 'Error allocating WR_ROWSX_PE.'\n CALL M3WARN( PNAME, 0, 0, MSG )\n PIO_INIT = .FALSE.; RETURN\n END IF\n\n END IF\n\nC Calculate processor-to-subdomain maps\n\n CALL SUBDMAP ( NUMPROCS, GL_NCOLS, GL_NROWS, NLAYS, NPCOL, NPROW,\n & NCOLS_PE, NROWS_PE, COLSX_PE, ROWSX_PE,\n & MAXCELLS, IERROR )\n IF ( IERROR .NE. 0 ) THEN\n MSG = 'Error in SUBDMAP'\n CALL M3WARN( PNAME, 0, 0, MSG )\n PIO_INIT = .FALSE.; RETURN\n END IF\n\nC Write out processor-to-subdomain map\n\n IF ( MY_PE .EQ. IO_PE ) THEN\n IF ( PRESENT( WFLG ) .AND. FIRST_TIME ) THEN\n FIRST_TIME = .FALSE.\n CALL WRSUBDMAP ( NUMPROCS, NCOLS_PE, NROWS_PE, COLSX_PE, ROWSX_PE )\n END IF\n END IF\n\nC Set number of rows and columns for (this) local processor\n\n MY_NCOLS = NCOLS_PE( MY_PE+1 ) ! COMMON block\n MY_NROWS = NROWS_PE( MY_PE+1 ) ! COMMON block\n\n RETURN\n END FUNCTION PIO_INIT\n" }, { "path": "CCTM/src/PARIO/piomaps_mod.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/work/rep/PARIO/src/piomaps_mod.f,v 1.2 2006/06/05 17:36:43 yoj Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC....................................................................\n \nC CONTAINS: Processor-to-subdomain maps for parallel Models-3\nC I/O routines.\n \nC DEPENDENT UPON: none \n \nC REVISION HISTORY:\nC Original version 02/04 by David Wong\nC Modified 12/05/2015 by David Wong\nC -- Added two new varaible PIO_GL_NCOLS and PIO_GL_NROWS\nC Modified 12/09/2015 by David Wong\nC -- Introduced a new variable PARIO_IO_PE_INCLUSIVE to determine\nC which procesor involves in file closing process\n \nC NOTES: The mapping assumes 2-dimensional subdomain decomposition,\nC over grid rows and columns.\nC....................................................................\n\nC ----------------------------------------------------\nC The arrays below are allocated by function PIO_INIT.\nC ----------------------------------------------------\n\nC INTEGER NUMPROCS Number of processors.\n\nC INTEGER NCOLS_PE( NUMPROCS ) Number grid columns in the processor\nC INTEGER NROWS_PE( NUMPROCS ) Number grid rows in the processor\nC INTEGER COLSX_PE( 2,NUMPROCS ) Processor column range:\nC COLSX_PE(1,*) = start column index\nC COLSX_PE(2,*) = end column index\nC INTEGER ROWSX_PE( 2,NUMPROCS ) Processor row range:\nC ROWSX_PE(1,*) = start row index\nC ROWSX_PE(2,*) = end row index\nC INTEGER WR_NCOLS_PE( NUMPROCS ) Number of columns in the processor\nC subgrid to write\nC INTEGER WR_NROWS_PE( NUMPROCS ) Number of rows in the processor\nC subgrid to write\nC ROWSX_PE(2,*) = end row index\nC INTEGER WR_COLSX_PE( 2,NUMPROCS ) Column range of the processor subgrid\nC to write\nC COLSX_PE(1,*) = start column index\nC COLSX_PE(2,*) = end column index\nC INTEGER WR_ROWSX_PE( 2,NUMPROCS ) Row range of the processor subgrid\nC to write\nC ROWSX_PE(1,*) = start row index\n\nC....................................................................\n\n MODULE PIOMAPS_MODULE\n\n INTEGER NUMPROCS\n \n INTEGER, ALLOCATABLE :: NCOLS_PE( : )\n INTEGER, ALLOCATABLE :: COLSX_PE( :,: )\n\n INTEGER, ALLOCATABLE :: NROWS_PE( : )\n INTEGER, ALLOCATABLE :: ROWSX_PE( :,: )\n\n INTEGER, ALLOCATABLE :: WR_NCOLS_PE( : )\n INTEGER, ALLOCATABLE :: WR_COLSX_PE( :,: )\n\n INTEGER, ALLOCATABLE :: WR_NROWS_PE( : )\n INTEGER, ALLOCATABLE :: WR_ROWSX_PE( :,: )\n\n integer :: pio_gl_ncols\n integer :: pio_gl_nrows\n\n LOGICAL :: PARIO_IO_PE_INCLUSIVE\n\n END MODULE PIOMAPS_MODULE\n" }, { "path": "CCTM/src/PARIO/pm3err.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE PM3ERR( CALLER, JDATE, JTIME, ERRTXT, FATAL )\nC.....................................................................\nC\nC PURPOSE: Provides M3ERR functionality in a parallel environment.\nC The processor-id suffix is appended to the name of the\nC caller. Generate simple error messages for Models-3, and\nC terminate program execution via MPI_ABORT iff FATAL.\nC\nC\nC PRECONDITIONS REQUIRED: Same as for M3EXIT.\nC\nC\nC REVISION HISTORY:\nC Original version 07/1999 by Al Bourgeois to provide proper\nC program exiting in parallel environment.\nC Modified 02/23/2011 by Shawn Roselle\nC -- Replaced I/O API include files with M3UTILIO; removed\nC deprecated TRIMLEN\nC\nC\nC ARGUMENT LIST DESCRIPTION:\nC IN:\nC CHARACTER*(*) CALLER ! Name of the caller.\nC INTEGER JDATE ! Model date for the error.\nC INTEGER JTIME ! Model time for the error.\nC CHARACTER*(*) ERRTXT ! Error message.\nC LOGICAL FATAL ! Terminate program iff TRUE.\nC\nC COMMON BLOCK PIOVARS:\nC INTEGER MY_PE ! Local processor id.\nC\nC OUT: none\nC\nC SUBROUTINES AND FUNCTIONS CALLS: INIT3, SHUT3, MPI_ABORT, INQUIRE.\nC\nC***********************************************************************\n\n USE M3UTILIO ! i/o api\n USE RUNTIME_VARS\n\n IMPLICIT NONE\n\nC........... INCLUDES:\n\n INCLUDE 'mpif.h' ! MPI definitions and parameters.\n INCLUDE 'PIOVARS.EXT' ! Parameters for parallel implementation.\n\n\nC........... ARGUMENTS and their descriptions:\n\n CHARACTER*(*) CALLER ! Name of the caller.\n INTEGER JDATE ! Model date for the error.\n INTEGER JTIME ! Model time for the error.\n CHARACTER*(*) ERRTXT ! Error message.\n LOGICAL FATAL ! Terminate program iff TRUE.\n\n\nC........... LOCAL VARIABLES\n\n INTEGER LENSTR ! String length of CALLER.\n INTEGER IDEV ! Loop counter over FORTRAN unit numbers.\n INTEGER ERRCODE ! Error code from abort attempt.\n INTEGER IERROR ! Error from MPI_ABORT routine.\n LOGICAL OFLAG ! Flag for indicating file open.\n CHARACTER*24 DTBUF ! Scratch area for date string.\n CHARACTER*7 PE_STR ! String suffix to go with processor ID.\n CHARACTER*16 CALL16 ! First 16 characters of CALLER.\n CHARACTER*26 PCALLER ! New caller string with PE information.\n\nC.............................................................................\nC begin subroutine PM3ERR\n errcode = 1 ! arbitrary\n\nC....... Construct new CALLER string.\n WRITE (PE_STR,'(A7)') ' on PE '\n\n\nC....... Construct new CALLER string.\n LENSTR = MIN( 16, LEN_TRIM( CALLER ) )\n CALL16 = CALLER( 1: LENSTR )\n PCALLER = CALL16(1:LENSTR)//PE_STR//CMYPE\n\n\nC....... Do M3ERR tasks.\n\n IF ( FATAL ) THEN ! Print error messages and exit.\n\n WRITE( LOGDEV,91010 ) PCALLER, TRIM( ERRTXT )\n\n IF ( JDATE .GT. 0 .OR. JTIME .GT. 0 ) THEN\n DTBUF = DT2STR( JDATE, JTIME )\n WRITE( LOGDEV,* ) 'PM3ERR: DTBUF ', DTBUF\n WRITE( LOGDEV,91011 ) DTBUF, JDATE, JTIME\n ELSE\n WRITE( LOGDEV,* ) 'PM3ERR: date&time specified as 0'\n WRITE( LOGDEV,91012 ) 'Date&time specified as 0'\n END IF\n\n IF ( .NOT. SHUT3() ) THEN\n WRITE( LOGDEV,91000 )\n & 'Could not shut down I/ O API files correctly',\n & ' ', ' '\n END IF\n\n DO 11 IDEV = 10, 99\n INQUIRE( UNIT = IDEV, OPENED = OFLAG )\n IF ( OFLAG ) CLOSE( IDEV )\n11 CONTINUE\n\n\nC....... Abort all parallel tasks.\n CALL MPI_ABORT( MPI_COMM_WORLD, ERRCODE, IERROR )\n\n\n\n ELSE ! Print error message but do not exit.\n\n\n WRITE( LOGDEV,91020 ) PCALLER, TRIM( ERRTXT )\n\n IF ( JDATE .GT. 0 .OR. JTIME .GT. 0 ) THEN\n WRITE( LOGDEV,91011 )\n & DT2STR( JDATE, JTIME ), JDATE, JTIME\n END IF\n\n RETURN\n\n\n END IF\n\nC****************** FORMAT STATEMENTS ******************************\n\nC........... Error and warning message formats..... 91xxx\n\n91000 FORMAT ( //5X , '*** ERROR ABORT in subroutine PM3ERR ***',\n & /5X , A , // )\n\n91010 FORMAT ( //5X , '*** ERROR ABORT in subroutine ', A,\n & /5X , A )\n\n91011 FORMAT ( 5X , 'Date and time ', A, :,\n & ' (', I7, ':', I6.6, ')' )\n\n91012 FORMAT ( 5X , A )\n\n91020 FORMAT ( /5X , '>>--->> WARNING in subroutine ', A,\n & /5X , A )\n\n END\n\n\n" }, { "path": "CCTM/src/PARIO/pm3exit.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE PM3EXIT( CALLER, JDATE, JTIME, MSGTXT, EXITSTAT )\nC.....................................................................\nC\nC PURPOSE: Provides M3EXIT functionality in a parallel environment.\nC The processor-id suffix is appended to the name of the\nC caller. Generate simple error messages for Models-3.\nC Program execution is terminated via exit(0) if exitstat\nC is zero and by MPI_ABORT otherwise.\nC\nC\nC PRECONDITIONS REQUIRED: Same as for M3EXIT.\nC\nC\nC REVISION HISTORY:\nC Original version 07/1998 by Al Bourgeois.\nC Modified 12/07/1998 by Al Bourgeois to add EXTERNAL declarations.\nC Modified 06/11/1999 by Al Bourgeois to cause all processors to exit.\nC Modified 02/23/2011 by Shawn Roselle\nC -- Replaced I/O API include files with M3UTILIO; removed\nC deprecated TRIMLEN\nC Modified 09/19/2011 by David Wong\nC -- Replaced MPI_FINALIZE with MPI_ABORT to avoid hanging situation\nC\nC\nC ARGUMENT LIST DESCRIPTION:\nC IN:\nC CHARACTER*(*) CALLER ! Name of the caller.\nC INTEGER JDATE ! Model date for the error.\nC INTEGER JTIME ! Model time for the error.\nC CHARACTER*(*) MSGTXT ! Error message.\nC INTEGER EXITSTAT ! Exit status for program.\nC\nC COMMON BLOCK PIOVARS:\nC INTEGER MY_PE ! Local processor id.\nC\nC OUT: none\nC\nC SUBROUTINES AND FUNCTIONS CALLS: INIT3, SHUT3, MPI_ABORT, INQUIRE.\nC\nC***********************************************************************\n\n USE M3UTILIO ! i/o api\n USE RUNTIME_VARS\n\n IMPLICIT NONE\n\nC........... INCLUDES:\n\n INCLUDE 'mpif.h' ! MPI definitions and parameters.\n INCLUDE 'PIOVARS.EXT' ! Parameters for parallel implementation.\n\n\nC........... ARGUMENTS and their descriptions:\n\n CHARACTER*(*) CALLER ! Name of the caller.\n INTEGER JDATE ! Model date for the error.\n INTEGER JTIME ! Model time for the error.\n CHARACTER*(*) MSGTXT ! Error message.\n INTEGER EXITSTAT ! Exit status for program.\n\n\nC........... LOCAL VARIABLES\n\n INTEGER LENSTR ! String length of CALLER.\n INTEGER IDEV ! Loop counter over FORTRAN unit numbers.\n INTEGER ERRCODE ! Error code from abort attempt.\n INTEGER IERROR ! Error from MPI_ABORT routine.\n LOGICAL OFLAG ! Flag for indicating file open.\n CHARACTER*24 DTBUF ! Scratch area for date string.\n CHARACTER*7 PE_STR ! String suffix to go with processor ID.\n CHARACTER*16 CALL16 ! First 16 characters of CALLER.\n CHARACTER*26 PCALLER ! New caller string with PE information.\n\nC.............................................................................\nC begin subroutine PM3EXIT\n errcode = 1 ! arbitrary\n\nC....... Construct new CALLER string.\n WRITE (PE_STR,'(A7)') ' on PE '\n\n\nC....... Construct new CALLER string.\n LENSTR = MIN( 16, LEN_TRIM(CALLER) )\n CALL16 = CALLER( 1: LENSTR )\n PCALLER = CALL16(1:LENSTR)//PE_STR//CMYPE\n\n\nC....... Do M3EXIT tasks.\n\n IF ( EXITSTAT .NE. 0 ) THEN ! Print messages for abnormal abort. \n\n WRITE( OUTDEV,91010 ) PCALLER, TRIM( MSGTXT )\n\n WRITE( LOGDEV,91010 ) PCALLER, TRIM( MSGTXT )\n FLUSH( LOGDEV )\n\n IF ( JDATE .GT. 0 .OR. JTIME .GT. 0 ) THEN\n DTBUF = DT2STR( JDATE, JTIME )\n IF ( LOGDEV .NE. 6 )\n & WRITE( LOGDEV,* ) 'PM3EXIT: DTBUF ', DTBUF\n WRITE( LOGDEV,92020 ) DTBUF, JDATE, JTIME\n ELSE\n IF ( LOGDEV .NE. 6 )\n & WRITE( LOGDEV,* ) 'PM3EXIT: date&time specified as 0'\n WRITE( LOGDEV,92000 )\n & 'Date&time specified as 0', ' ', ' '\n END IF\n\n\n ELSE ! Print message for normal completion.\n\n WRITE( LOGDEV,92010 ) PCALLER, TRIM( MSGTXT )\n\n IF ( JDATE .GT. 0 .OR. JTIME .GT. 0 ) THEN\n WRITE( LOGDEV,92020 )\n & DT2STR( JDATE, JTIME ), JDATE, JTIME\n END IF\n\n END IF\n\n\nC....... Shut down the I/O API.\n IF ( .NOT. SHUT3() ) THEN\n WRITE( LOGDEV,91000 )\n & 'Could not shut down I/O API files correctly'\n END IF\n\n\nC....... Close all files.\n DO IDEV = 10, 99\n INQUIRE( UNIT = IDEV, OPENED = OFLAG )\n IF ( OFLAG ) CLOSE( IDEV )\n END DO\n\n \n IF ( EXITSTAT .NE. 0 ) THEN ! Abnormal abort.\n\nC....... Abort all parallel tasks.\n CALL MPI_ABORT( MPI_COMM_WORLD, ERRCODE, IERROR )\n! CALL MPI_FINALIZE( IERROR )\n\n STOP\n\n ELSE ! exitstat = 0: successful completion.\n\n CALL EXIT( EXITSTAT )\n\n ENDIF\n\n\n\nC****************** FORMAT STATEMENTS ******************************\n\nC........... Error and warning message formats..... 91xxx\n\n91000 FORMAT ( //5X , '*** ERROR ABORT in subroutine PM3EXIT ***',\n & /5X , A , // )\n\n91010 FORMAT ( //5X , '*** ERROR ABORT in subroutine ', A,\n & /5X , A )\n\n\nC........... Informational (LOG) message formats... 92xxx\n\n92000 FORMAT ( 5X , A )\n\n92010 FORMAT ( //5X , '--->> Normal Completion of program ', A,\n & /5X , A )\n\n92020 FORMAT ( 5X , 'Date and time ', A, :,\n & ' (', I7, ':', I6.6, ')' )\n\n END\n \n \n" }, { "path": "CCTM/src/PARIO/pm3warn.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE PM3WARN( CALLER, JDATE, JTIME, ERRTXT )\nC.....................................................................\nC\nC PURPOSE: Wrapper for M3WARN in parallel environment, to \nC add the processor-id suffix to the name of the\nC caller.\nC\nC\nC PRECONDITIONS REQUIRED: Same as for M3WARN.\nC\nC\nC REVISION HISTORY:\nC Original version 07/1998 by Al Bourgeois.\nC Modified 12/07/1998 by Al Bourgeois to add EXTERNAL declarations.\nC Modified 02/23/2011 by Shawn Roselle\nC -- Replaced I/O API include files with M3UTILIO; removed\nC deprecated TRIMLEN\nC\nC\nC ARGUMENT LIST DESCRIPTION:\nC IN:\nC CHARACTER*(*) CALLER ! Name of the caller.\nC INTEGER JDATE ! Model date for the error.\nC INTEGER JTIME ! Model time for the error.\nC CHARACTER*(*) ERRTXT ! Error message.\nC\nC COMMON BLOCK PIOVARS:\nC INTEGER MY_PE ! Local processor id.\nC\nC\nC SUBROUTINES AND FUNCTIONS CALLED: M3WARN.\nC\nC***********************************************************************\n\n USE M3UTILIO ! i/o api\n\n IMPLICIT NONE\n\nC........... INCLUDES:\n\n INCLUDE 'PIOVARS.EXT' ! Parameters for parallel implementation.\n\n\nC........... ARGUMENTS and their descriptions:\n\n CHARACTER*(*) CALLER ! Name of the caller.\n INTEGER JDATE ! Model date for the error.\n INTEGER JTIME ! Model time for the error.\n CHARACTER*(*) ERRTXT ! Error message.\n\n\nC........... LOCAL VARIABLES\n\n INTEGER LENSTR ! String length of CALLER.\n CHARACTER*3 CMYPE ! Processor ID string.\n CHARACTER*7 PE_STR ! String suffix to go with processor ID.\n CHARACTER*16 CALL16 ! First 16 characters of CALLER.\n CHARACTER*26 PCALLER ! New caller string with PE information.\n\nC.............................................................................\nC begin subroutine PM3WARN\n \n\nC....... Create strings to append to CALLER.\n WRITE (PE_STR,'(A7)') ' on PE '\n WRITE(CMYPE,'(I3.3)') MY_PE\n\n\nC....... Construct new CALLER string.\n LENSTR = MIN( 16, LEN_TRIM(CALLER) )\n CALL16 = CALLER( 1: LENSTR )\n PCALLER = CALL16(1:LENSTR)//PE_STR//CMYPE\n\nC....... Pass the new sting to M3WARN.\n CALL M3WARN( PCALLER, JDATE, JTIME, ERRTXT )\n\n RETURN\n END\n \n" }, { "path": "CCTM/src/PARIO/pshut3.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/work/rep/PARIO/src/pshut3.f,v 1.2 2011/03/30 18:13:05 sjr Exp $ \n\n LOGICAL FUNCTION PSHUT3 ( )\n\nC***********************************************************************\nC FUNCTION: Flushes and closes down all Models-3 files currently open by\nC PE 0 only.\nC\nC RETURN VALUE: TRUE iff it succeeds.\nC\nC PRECONDITIONS: none\nC\nC SUBROUTINES AND FUNCTIONS CALLED:\nC\nC REVISION HISTORY: \nC prototype 09/02 by David Wong\nC Modified 02/23/2011 by Shawn Roselle\nC -- Replaced I/O API include files with M3UTILIO\nC Modified 09/10/2014 by David Wong\nC -- Removed redundant INCLUDE NETCDF.EXT statement\nC Modified 12/09/2015 by David Wong\nC -- Introduced a new variable PARIO_IO_PE_INCLUSIVE to determine\nC which procesor involves in file closing process\nC***********************************************************************\n\n USE M3UTILIO ! i/o api\n USE PIOMAPS_MODULE\n\n IMPLICIT NONE\n\nC........... INCLUDES:\n\n INCLUDE 'STATE3.EXT'\n INCLUDE 'PIOVARS.EXT'\n INCLUDE \"mpif.h\"\n\nC........... SCRATCH LOCAL VARIABLES and their descriptions:\n\n INTEGER FILE ! loop counter over files\n INTEGER V ! loop counter over vbles\n INTEGER IERR ! netCDF error status return\n INTEGER ERROR ! MPI error status return\n INTEGER FID\n INTEGER LOC_MPIGRD3\n\n INTEGER, EXTERNAL :: NF_CLOSE\n INTEGER, EXTERNAL :: NFMPI_CLOSE\n\nC***********************************************************************\n\n PSHUT3 = .TRUE.\n IF (.NOT. FINIT3) THEN\n RETURN\n END IF\n\n#ifdef parallel_io\n LOC_MPIGRD3 = MPIGRD3\n#else\n LOC_MPIGRD3 = IMISS3\n#endif\n\n DO FILE = 1, COUNT3\n\n FID = CDFID3(FILE)\n\n IF ((FID .GE. 0) .AND. (FLIST3(FILE) .NE. CMISS3)) THEN\n\n! IF (MY_PE .EQ. 0) THEN\n! CALL NCCLOS( CDFID3( FILE ), IERR )\n! IF (IERR .NE. 0) THEN\n! WRITE (LOGDEV,91010)\n! & 'Error closing netCDF file ',\n! & 'File name: ' // FLIST3( FILE ) ,\n! & 'netCDF error number', IERR\n! PSHUT3 = .FALSE.\n! END IF\n! END IF\n\n IF( FTYPE3( FILE ) .EQ. LOC_MPIGRD3 ) THEN\n\n#ifdef parallel_io\n IF( PARIO_IO_PE_INCLUSIVE ) THEN\n IERR = NFMPI_CLOSE( FID )\n IF ( IERR .NE. 0 ) THEN\n WRITE( LOGDEV,91010 )\n & 'Error closing PnetCDF file ',\n & 'File name: ' // FLIST3( FILE ) ,\n & 'PnetCDF error number', IERR\n PSHUT3 = .FALSE.\n END IF\n END IF\n#endif\n\n ELSE IF( FTYPE3( FILE ) .GE. 0 ) THEN\n\n IERR = NF_CLOSE( FID )\n IF ( IERR .NE. 0 ) THEN\n WRITE( LOGDEV,91010 )\n & 'Error closing netCDF file ',\n & 'File name: ' // FLIST3( FILE ) ,\n & 'netCDF error number', IERR\n PSHUT3 = .FALSE.\n END IF\n END IF\n END IF\n\n CALL BUFDEL3 (FILE)\n FLIST3(FILE) = CMISS3\n DO V = 1, NVARS3( FILE )\n ILAST3(V,FILE) = IMISS3\n LDATE3(V,FILE) = IMISS3\n LTIME3(V,FILE) = IMISS3\n NDATE3(V,FILE) = IMISS3\n NTIME3(V,FILE) = IMISS3\n END DO\n\n END DO ! end loop on files\n\n COUNT3 = IMISS3\n FINIT3 = .FALSE.\n\n CALL MPI_BCAST (PSHUT3, 1, MPI_LOGICAL, 0 ,MPI_COMM_WORLD, ERROR)\n\n RETURN\n\nC****************** FORMAT STATEMENTS ******************************\n\nC........... Error and warning message formats..... 91xxx\n\n91010 FORMAT ( //5X , '>>> WARNING in subroutine SHUT3 <<<',\n & 3 ( /5X , A , : ) , I5, // )\n\n END FUNCTION PSHUT3\n" }, { "path": "CCTM/src/PARIO/ptrwrite3.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/work/rep/PARIO/src/ptrwrite3.f,v 1.2 2011/03/30 18:13:05 sjr Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\n LOGICAL FUNCTION PTRWRITE3( FNAME, VNAME, JDATE, JTIME, BUFFER )\n\nC-----------------------------------------------------------------------\nC Function: Writes grided data BUFFER to the Models-3 data file with logical \nC name FNAME by collecting from each PE.\n\nC Return Value: TRUE iff the operation succeeds\n\nC Preconditions: FNAME is a Models-3 data file already opened for write\nC access by OPEN3() or by CREATE3()\n\nC Postconditions: Subsequent call to SHUT3() to flush the file to disk\n\nC Revision History:\nC prototype 08/01 by David Wong, Lockheed Martin\nC 10/01 by David Wong\nC -- expanded functionality to handle PING file\nC -- adjusted SIZE according to VID\nC -- modified the routine to accommodate writing sub-grid data\nC 12/02 by David Wong\nC -- exteneded to write dot file\nC 01/03 by David Wong\nC -- inserted WRTFLAG function to output time step info\nC 02/04 by David Wong\nC -- collect all subdomain data and call WRITE3 once\nC 12 May 06 J.Young: rank 4 F90 pointer capablity for BUFFER\nC 23 Feb 11 S.Roselle: replaced I/O API include files with M3UTILIO; removed\nC deprecated TRIMLEN\nC 10 Sep 14 D. Wong: Removed redundant INCLUDE NETCDF.EXT statement\nC-----------------------------------------------------------------------\n\n USE M3UTILIO ! i/o api\n USE RUNTIME_VARS, ONLY : PWRTFLAG\n USE PIOMAPS_MODULE\n\n IMPLICIT NONE\n\nC Includes:\n\n INCLUDE 'STATE3.EXT'\n\n INCLUDE 'PIOVARS.EXT' ! Parameters for parallel implementation.\n INCLUDE 'PIOGRID.EXT' ! Parallel grid dimensions.\n! INCLUDE 'PIOMAPS.EXT' ! Parallel processor-to-subdomain maps.\n\n INCLUDE 'mpif.h'\n\nC Arguments:\n\n CHARACTER( * ) :: FNAME ! logical file name\n CHARACTER( * ) :: VNAME ! logical file name\n INTEGER JDATE ! date, formatted YYYYDDD\n INTEGER JTIME ! time, formatted HHMMSS\n REAL, POINTER :: BUFFER( :,:,:,: ) ! output buffer array\n\nC Local Variables:\n\n INTEGER IDUM ! holds return value for INIT3()\n INTEGER FID ! file-subscript for STATE3 arrays\n INTEGER STEP ! time step record number\n INTEGER STEP2 ! 1 or 2, according to step mod 2\n INTEGER TFLAG( 2 ) ! ( JDATE=yyyyddd, JTIME=hhmmss )\n INTEGER IERR ! netCDF error status return\n CHARACTER( 16 ) :: FIL16 ! scratch file-name buffer\n CHARACTER( 16 ) :: VAR16 ! scratch variable-name buffer\n\nC Static Variables:\n\n LOGICAL FLCHANGE ! File-changed indicator.\n\nC File written to on previous call to pwrite3.\n CHARACTER( 16 ), SAVE :: PREVFILE = '????????????????'\n CHARACTER( 80 ) :: MSG ! Buffer for building error messages.\n\n INTEGER ERROR\n INTEGER NVARS ! Number of file variables to read.\n INTEGER IV ! Loop counter over file variables.\n\n INTEGER PACKAGE( 4 ) ! MPI broadcast data\n\n CHARACTER( 16 ) :: VNAM16 ! Scratch area for variable name.\n\n LOGICAL, EXTERNAL :: PWRGRDD ! Parallel write for gridded data files.\n\nC-----------------------------------------------------------------------\n\nC Check that Models-3 I/O has been initialized:\n\n PTRWRITE3 = .TRUE.\n\n IF ( .NOT. FINIT3 ) THEN\n IDUM = INIT3()\n WRITE( LOGDEV,91010 ) 'WRITE3(): I/O API not yet initialized.'\n PTRWRITE3 = .FALSE.; RETURN\n END IF\n\nC Find netCDF index for the file, and check time step availability:\n\n IF ( LEN( FNAME ) .GT. 16 ) THEN\n WRITE( LOGDEV,91001 )\n & 'File \"', FNAME, '\"',\n & 'Max file name length 16; actual:', LEN( FNAME )\n PTRWRITE3 = .FALSE.; RETURN\n END IF\n\n IF ( LEN( VNAME ) .GT. 16 ) THEN\n WRITE( LOGDEV,91002 )\n & 'File \"', FNAME, '\"',\n & 'Variable \"', VNAME, '\"',\n & 'Max variable name length 16; actual:', LEN( VNAME )\n PTRWRITE3 = .FALSE.; RETURN\n END IF\n\n VAR16 = VNAME ! fixed-length-16 scratch copy of name\n FIL16 = FNAME ! fixed-length-16 scratch copy of name\n FID = INDEX1 ( FIL16, COUNT3, FLIST3 )\n\n IF ( FNAME .EQ. PREVFILE ) THEN\n FLCHANGE = .FALSE.\n ELSE\n FLCHANGE = .TRUE.\n PREVFILE = FNAME\n END IF\n\n IF ( MY_PE .EQ. IO_PE ) THEN\n STEP = JSTEP3 ( JDATE, JTIME, SDATE3( FID ), STIME3( FID ),\n & ABS( TSTEP3( FID ) ) )\n END IF\n\n CALL MPI_BCAST ( STEP, 1, MPI_INTEGER, 0, MPI_COMM_WORLD, ERROR )\n\n IF ( STEP .LT. 0 ) THEN \n WRITE( LOGDEV,91020 )\n & 'Time step error writing file: ' // FIL16 ,\n & 'Requested date & time: ', JDATE, JTIME ,\n & 'File starting date & time:',\n & SDATE3( FID ), STIME3( FID ),\n & 'File time step: ', TSTEP3( FID )\n PTRWRITE3 = .FALSE.; RETURN\n END IF\n \n IF ( MY_PE .EQ. IO_PE ) THEN\n\n IF ( TSTEP3( FID ) .LT. 0 ) THEN\n STEP2 = 1 + MOD ( STEP-1, 2 )\n TFLAG( 1 ) = JDATE\n TFLAG( 2 ) = JTIME\n ELSE IF ( TSTEP3( FID ) .EQ. 0 ) THEN\n STEP2 = STEP\n TFLAG( 1 ) = 0\n TFLAG( 2 ) = 0\n ELSE\n STEP2 = STEP\n TFLAG( 1 ) = JDATE\n TFLAG( 2 ) = JTIME\n END IF\n\nC Get file description.\n IF ( .NOT. DESC3( FNAME ) ) THEN\n MSG = 'Could not get '// TRIM( FNAME )\n & // ' file description'\n CALL M3WARN( 'PTRWRITE3', JDATE, JTIME, MSG )\n END IF\n\n END IF\n\n CALL MPI_BCAST ( UPNAM3D, 16, MPI_CHARACTER, 0, MPI_COMM_WORLD, ERROR )\n CALL MPI_BCAST ( FTYPE3D, 1, MPI_INTEGER, 0, MPI_COMM_WORLD, ERROR )\n\nC Operation valid only for gridded files.\n IF ( FTYPE3D .EQ. GRDDED3 ) THEN\n\n IF ( UPNAM3D .EQ. 'PDM' .OR.\n & UPNAM3D .EQ. 'READ_PTX2'.OR.\n & UPNAM3D .EQ. 'FAKE_GRIDDED' ) THEN\n\n IF ( MY_PE .EQ. IO_PE ) THEN\n IF ( .NOT. WRITE3 ( FNAME, VNAME, JDATE, JTIME, BUFFER ) ) THEN\n MSG = 'WRITE3 failed writing variable '\n & // TRIM( VNAME )\n & // ' to file '// TRIM( FNAME )\n CALL M3WARN( 'PTRWRITE3', JDATE, JTIME, MSG )\n PTRWRITE3 = .FALSE.\n END IF\n END IF\n\n ELSE\n \n IF ( MY_PE .EQ. IO_PE ) THEN\n PACKAGE( 1 ) = NCOLS3D\n PACKAGE( 2 ) = NROWS3D\n PACKAGE( 3 ) = NLAYS3D\n PACKAGE( 4 ) = NVARS3D\n END IF\n\n CALL MPI_BCAST ( PACKAGE, 4, MPI_INTEGER, 0, MPI_COMM_WORLD, ERROR )\n\n IF ( MY_PE .NE. IO_PE ) THEN\n NCOLS3D = PACKAGE( 1 )\n NROWS3D = PACKAGE( 2 )\n NLAYS3D = PACKAGE( 3 )\n NVARS3D = PACKAGE( 4 )\n END IF\n\n IF ( VAR16 .EQ. ALLVAR3 ) THEN\n NVARS = NVARS3D\n ELSE\n NVARS = 1\n END IF\n\n IF ( FLCHANGE ) THEN\n CALL GET_WRITE_MAP ( NUMPROCS, NPCOLD, NPROWD,\n & NCOLS3D, NROWS3D, NLAYS3D )\n END IF \n\nC Loop over file variables.\n DO IV = 1, NVARS\n\n IF ( VAR16 .EQ. ALLVAR3 ) THEN\n VNAM16 = VNAME3D( IV )\n ELSE\n VNAM16 = VAR16\n END IF\n\n IF ( .NOT. PWRGRDD( FIL16, VNAM16, JDATE, JTIME,\n & BUFFER( :,:,:,IV ),\n & NCOLS3D, NROWS3D, NLAYS3D,\n & NUMCOLS, NUMROWS, NUMPROCS ) ) THEN\n MSG = 'PWRGRDD failed writing variable '\n & // TRIM( VNAM16 ) //\n & ' to file '// TRIM( FIL16 )\n CALL PM3WARN( 'PTRWRITE3', JDATE, JTIME, MSG )\n PTRWRITE3 = .FALSE.; RETURN\n END IF\n\n END DO\n\n END IF ! fake-gridded\n\n ELSE ! This is not a gridded file.\n\n MSG = 'PTRWRITE3 can not handle this type of data.'\n CALL PM3WARN( 'PTRWRITE3', JDATE, JTIME, MSG )\n PTRWRITE3 = .FALSE.; RETURN\n\n END IF ! gridded file\n\n CALL MPI_BCAST ( PTRWRITE3, 1, MPI_LOGICAL, 0, MPI_COMM_WORLD, ERROR )\n\n IF ( .NOT. PTRWRITE3 ) THEN ! failure\n IF ( MY_PE .EQ. IO_PE ) THEN\n IF ( TSTEP3( FID ) .EQ. 0 ) THEN\n WRITE( LOGDEV, 92030 ) 'Error writing', VNAME, 'to', FNAME\n ELSE\n WRITE( LOGDEV, 92030 ) \n & 'Error writing', VNAME, 'to', FNAME, 'for', JDATE, JTIME\n END IF\n END IF\n RETURN\n END IF ! if failure\n \n IF ( MY_PE .EQ. IO_PE ) THEN\n MXREC3( FID ) = MAX( MXREC3( FID ), ABS( STEP ) )\n\n IF ( PWRTFLAG ) THEN ! log successful writes\n IF ( VAR16 .NE. ALLVAR3 ) THEN ! single variable written\n IF ( TSTEP3( FID ) .EQ. 0 ) THEN\n WRITE( LOGDEV,92020 ) VNAME, 'written to', FNAME\n ELSE\n WRITE( LOGDEV, 92020 ) \n & VNAME, 'written to', FNAME, 'for', JDATE, JTIME\n END IF\n ELSE ! vid <= 0: entire timestamp written\n IF ( TSTEP3( FID ) .EQ. 0 ) THEN\n WRITE( LOGDEV,92010 ) 'Record written to', FNAME\n ELSE\n WRITE( LOGDEV,92010 ) 'Timestep written to', FNAME,\n & 'for date and time', JDATE, JTIME\n END IF\n END IF ! if single variable write, or timestamp write\n END IF ! if PWRTFLAG\n END IF\n\n RETURN\n\nC-----------------------------------------------------------------------\n\nC Error and warning message formats... 91xxx\n\n91001 FORMAT ( //5X , '>>> WARNING in subroutine WRITE3 <<<',\n & /5X , 3A, /5X , A , I5, // )\n91002 FORMAT ( //5X , '>>> WARNING in subroutine WRITE3 <<<',\n & /5X , 3A, /5X , 3A, /5X , A , I5, // )\n91010 FORMAT ( //5X , '>>> WARNING in subroutine WRITE3 <<<',\n & 3 ( /5X , A , : ) , I5, // )\n91020 FORMAT ( //5X , '>>> WARNING in subroutine WRITE3 <<<',\n & /5X , A , 2 ( /5X , A , :, I9, :, ':' , I6.6 ),\n & /5X , A , 10X, I6.6, // )\n91030 FORMAT ( //5X , '>>> WARNING in subroutine WRITE3 <<<',\n & /5X , A , I5 , : , /5X , A )\n\nC Log message formats... 91xxx\n\n92010 FORMAT ( /5X, 3( A, :, 1X ), I8, ':', I6.6 )\n92020 FORMAT ( /5X, 4( A, :, 1X ), I8, ':', I6.6 )\n92030 FORMAT ( /5X, 5( A, :, 1X ), I8, ':', I6.6 )\n\n END\n" }, { "path": "CCTM/src/PARIO/pwrgrdd.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker] \nC $Header: /project/work/rep/PARIO/src/pwrgrdd.f,v 1.11 2012/01/26 20:14:28 sjr Exp $\n\n LOGICAL FUNCTION PWRGRDD( FILNAME, VARNAME, DATE, TIME, BUFFER,\n & NCOLS3D, NROWS3D, NLAYS3D,\n & NCOLS, NROWS, NP )\nC.....................................................................\n \nC PURPOSE: Perform Models-3 file-write operation in a parallel\nC environment. Values of variable VARNAME on each processor\nC subdomain region are collected, via MPI calls, by the\nC primary I/O processor and the full grid of values are\nC written to file.\n \nC RETURN VALUE: The function fails if M3IO routine WRITE3 fails. If\nC an MPI error occurs, the program is aborted with a call to\nC PM3EXIT. \n \nC REVISION HISTORY:\nC 07/1998 Original version by Al Bourgeois for parallel implementation.\nC Renamed 10/07/1998 by AJB from PWRITE3 to PRDGRDD, to be called\nC by PWRITE3.\nC Modified 11/09/1998 by AJB to save RBUFSIZ.\nC Modified 12/04/1998 by Al Bourgeois to add EXTERNAL declarations.\nC Modified 01/26/1999 by Al Bourgeois to allow writing to a subgrid.\nC Modified 06/22/1999 by Al Bourgeois to synchronize I/O processors\nC with their target (non-I/O) processors. If the I/O processor fails\nC on WRITE3, all processors will return a value of FALSE. This\nC routine now calls pm3exit if an MPI error occurs.\nC Modified 02/05/2004 by David Wong\nC -- use f90 allocatable structure, collect all and write once\nC Modified 09/08/2005 by David Wong\nC -- re-allocate WRITBUF when the size is changed so a subgrid data\nC can be output correctly\nC 6 May 06 J.Young\nC Modified 02/23/2011 by Shawn Roselle\nC -- Replaced I/O API include files with M3UTILIO; removed\nC deprecated TRIMLEN\nC Modified 01/24/2012 by David Wong\nC -- Only let IO PE to allocate WRITBUF and RECVBUF to reduce overall\nC memory requirement\nC Modified 12/05/2015 by David Wong\nC -- Fixed bug so the code handle dot file correctly\n \nC ARGUMENT LIST DESCRIPTION:\nC M1 in PIOMAPS_MODULE\nC M2 in ALLOC_DATA_MODULE\nC E3 in PIOVARS.EXT\nC IN:\nC CHARACTER*(*) FILNAME ! Name of file containing variable VARNAME\nC CHARACTER*(*) VARNAME ! Name of file variable to write\nC INTEGER DATE ! Date, formatted YYYYDDD\nC INTEGER TIME ! Time, formatted HHMMSS\nC REAL BUFFER(NCOLS, NROWS, NLAYS3D)\nC ! Buffer holding (local) array to be written\nC INTEGER NCOLS3D ! Column dimension of file variables\nC INTEGER NROWS3D ! Row dimension of file variables\nC INTEGER NLAYS3D ! Layer dimension of file variables\nC INTEGER NCOLS ! Column dimension of local-processor arrays\nC INTEGER NROWS ! Row dimension of local-processor arrays\nC INTEGER NP ! Number of processors\nC x INTEGER WR_NCOLS_PE(NP) M1 ! No. cols of each PE subgrid to write\nC x INTEGER WR_NROWS_PE(NP) M1 ! No. rows of each PE subgrid to write\nC x INTEGER WR_COLSX_PE(2,NP) M1 ! Col range of each PE subgrid to write\nC x INTEGER WR_ROWSX_PE(2,NP) M1 ! Row range of each PE subgrid to write\nC\nC x REAL WRITBUF(NCOLS3D, NROWS3D, NLAYS3D) M2\nC ! Buffer for writing an array.\nC\nC x REAL RECVBUF(NCOLS, NROWS, NLAYS3D) M2\nC ! Buffer for message passing an array.\nC\nC x INTEGER MY_PE E3 ! Local processor id, ranging 0 to NP-1.\nC x INTEGER IO_PE E3 ! Id of primary processor used for file I/O.\n \nC OUT: none\n \nC LOCAL VARIABLE DESCRIPTION: see below\n \nC CALLS: WRITE3, PM3WARN, PM3EXIT, TRIMLEN, MPI_SEND, MPI_RECV, MPI_BCAST\n \nC NOTES: (1) Only the primary I/O processor does the file writing. Input\nC arguments FILNAME, VARNAME, DATE, and TIME are meaningful\nC only to the I/O processor.\n \nC (2) This routine handles only gridded variables. The BUFFER is\nC assumed to be declared as BUFFER( NCOLS, NROWS, NLAYS3D ),\nC where NCOLS and NROWS are the local PE grid subdomain\nC dimensions and NLAYS3D is the file variable layer dimension.\nC BUFFER is assumed to be filled as BUFFER(1:C,1:R,1:NLAYS3D),\nC where C = WR_COLSX_PE(2,MY_PE+1), R = WR_ROWSX_PE(2,MY_PE+1).\nC-----------------------------------------------------------------------\n\n USE PIOMAPS_MODULE\n USE ALLOC_DATA_MODULE\n USE M3UTILIO, ONLY : WRITE3 ! i/o api\n\n IMPLICIT NONE\n\nC Include Files\n\n INCLUDE 'mpif.h' ! MPI definitions and parameters\n INCLUDE 'PIOVARS.EXT'\n\nC Arguments\n\n CHARACTER( * ) :: FILNAME ! Name of file containing variable VARNAME\n CHARACTER( * ) :: VARNAME ! Name of file variable to write\n INTEGER DATE ! Date, formatted YYYYDDD\n INTEGER TIME ! Time, formatted HHMMSS \n INTEGER NCOLS3D ! Column dimension of file variables\n INTEGER NROWS3D ! Row dimension of file variables\n INTEGER NLAYS3D ! Layer dimension of file variables\n INTEGER NCOLS ! Column dimension of local-processor arrays\n INTEGER NROWS ! Row dimension of local-processor arrays\n INTEGER NP ! Number of processors\n \n REAL BUFFER( NCOLS,NROWS,NLAYS3D ) ! Buffer holding (local) array \n ! to be written\n\n INTEGER, SAVE :: WRITBUF_SIZE = 0\n INTEGER, SAVE :: RECVBUF_SIZE = 0\n INTEGER :: WSIZE, RSIZE\n\nC External Functions:\n\n EXTERNAL PM3WARN ! Parallel M3IO library\n\nC Local Variables:\n\n INTEGER MSGSIZE ! Message size of subgrid to receive\n INTEGER IPE ! For loop over processors\n INTEGER WHO ! For identifying sending processor\n INTEGER STATUS( MPI_STATUS_SIZE ) ! MPI status code\n INTEGER IERROR ! MPI error code\n LOGICAL LERROR ! LOCAL ERROR\n LOGICAL RERROR ! LOCAL MPI ALLREDUCE ERROR\n INTEGER IR ! Loop counter over grid rows\n INTEGER IC ! Loop counter over grid columns\n INTEGER IL ! Loop counter over grid layers\n INTEGER C0 ! First column in global grid\n INTEGER R0 ! First row in global grid\n INTEGER NC ! Number of columns in local grid\n INTEGER NR ! Number of rows in local grid\n CHARACTER( 16 ) :: FIL16 ! Scratch area for file-name\n CHARACTER( 16 ) :: VAR16 ! Scratch area for vble-name\n CHARACTER( 80 ) :: MSG ! Message issued from PM3WARN routine\n\n INTEGER, PARAMETER :: TAG1 = 901 ! MPI message tag for processor ID\n INTEGER, PARAMETER :: TAG2 = 902 ! MPI message tag for data array.\n\n INTEGER LOC\n\n LOGICAL :: DOT_FILE\n INTEGER :: DOT\n\nC........................................................................\n\nC Initialize return value and error code\n PWRGRDD = .TRUE.\n LERROR = .FALSE.\n IERROR = 0\n\n IF ( ( NCOLS3D - PIO_GL_NCOLS .EQ. 1 ) .AND. \n & ( NROWS3D - PIO_GL_NROWS .EQ. 1 ) ) THEN\n DOT_FILE = .TRUE.\n DOT = 1\n ELSE\n DOT_FILE = .FALSE.\n DOT = 0\n END IF\n\n IF ( MY_PE .EQ. IO_PE ) THEN ! I/O processor collects and writes data\n WSIZE = NCOLS3D * NROWS3D * NLAYS3D \n RSIZE = ( NCOLS + DOT ) * ( NROWS + DOT ) * NLAYS3D\n\n IF ( WRITBUF_SIZE .NE. WSIZE ) THEN\n IF ( ALLOCATED ( WRITBUF ) ) DEALLOCATE ( WRITBUF )\n ALLOCATE ( WRITBUF ( NCOLS3D, NROWS3D, NLAYS3D ), STAT = IERROR )\n IF ( IERROR .NE. 0 ) THEN\n MSG = 'Failure allocating WRITBUF '\n CALL M3EXIT( 'PWRGRDD', DATE, TIME, MSG, 1 )\n END IF\n WRITBUF_SIZE = WSIZE\n END IF\n\n IF ( RECVBUF_SIZE .LT. RSIZE ) THEN\n IF ( ALLOCATED ( RECVBUF ) ) DEALLOCATE ( RECVBUF )\n ALLOCATE ( RECVBUF ( RSIZE ), STAT = IERROR )\n IF ( IERROR .NE. 0 ) THEN\n MSG = 'Failure allocating RECVBUF '\n CALL M3EXIT( 'PWRGRDD', DATE, TIME, MSG, 1 )\n END IF\n RECVBUF_SIZE = RSIZE\n END IF\n\nC Gather the array and write it to file.\n\n! IF ( MY_PE .EQ. IO_PE ) THEN ! I/O processor collects and writes data\n\nC I/O PE copies its own local array into output buffer\n\n C0 = WR_COLSX_PE( 1,IO_PE+1 )\n R0 = WR_ROWSX_PE( 1,IO_PE+1 )\n NC = WR_NCOLS_PE( IO_PE+1 )\n NR = WR_NROWS_PE( IO_PE+1 )\n\n DO IL = 1, NLAYS3D\n DO IR = 1, NR\n DO IC = 1, NC \n WRITBUF( C0+IC-1,R0+IR-1,IL ) = BUFFER( IC,IR,IL )\n END DO \n END DO \n END DO\n\nC I/O PE receives array from all other processors and copies it to the output\nC buffer. Arrays are received in a first-come-first-serve order. \n\n DO IPE = 1, NP - 1\n\n CALL MPI_RECV( WHO, 1, MPI_INTEGER, MPI_ANY_SOURCE, \n & TAG1, MPI_COMM_WORLD, STATUS, IERROR )\n\n IF ( IERROR .NE. 0 ) THEN\n MSG = 'MPI error receiving processor id WHO.'\n CALL PM3WARN( 'PWRGRDD', DATE, TIME, MSG )\n LERROR = .TRUE.\n END IF\n\n C0 = WR_COLSX_PE( 1,WHO+1 )\n R0 = WR_ROWSX_PE( 1,WHO+1 )\n NC = WR_NCOLS_PE( WHO+1 )\n NR = WR_NROWS_PE( WHO+1 )\n\n MSGSIZE = NC * NR * NLAYS3D\n\n CALL MPI_RECV( RECVBUF, MSGSIZE, MPI_REAL, WHO,\n & TAG2, MPI_COMM_WORLD, STATUS, IERROR )\n IF ( IERROR .NE. 0 ) THEN\n MSG = 'MPI error receiving data array RECVBUF.'\n CALL PM3WARN( 'PWRGRDD', DATE, TIME, MSG )\n LERROR = .TRUE.\n END IF\n\n LOC = 0\n DO IL = 1, NLAYS3D\n DO IR = 1, NR\n DO IC = 1, NC\n LOC = LOC + 1\n WRITBUF( C0+IC-1,R0+IR-1,IL ) = RECVBUF( LOC )\n END DO \n END DO \n END DO\n\n END DO\n\nC Write the accumulated array to file\n\n FIL16 = FILNAME\n VAR16 = VARNAME\n IF ( .NOT. WRITE3( FIL16, VAR16, DATE, TIME, WRITBUF ) ) THEN\n MSG = 'Could not write '\n & // TRIM( VARNAME ) //\n & ' to file '// TRIM( FIL16 )\n\n CALL PM3WARN( 'PWRGRDD', DATE, TIME, MSG )\n LERROR = .TRUE.\n END IF\n\n ELSE ! Non-I/O processors send data\n\nC Each processor, except for the I/O processor, sends its local array to\nC the I/O processor.\n\n WHO = MY_PE\n MSGSIZE = NCOLS * NROWS * NLAYS3D\n\n CALL MPI_SEND( WHO, 1, MPI_INTEGER, IO_PE, TAG1,\n & MPI_COMM_WORLD, IERROR )\n\n IF ( IERROR .NE. 0 ) THEN\n MSG = 'MPI error sending processor id WHO.'\n CALL PM3WARN( 'PWRGRDD', DATE, TIME, MSG )\n LERROR = .TRUE.\n END IF\n\n CALL MPI_SEND( BUFFER, MSGSIZE, MPI_REAL, IO_PE, TAG2,\n & MPI_COMM_WORLD, IERROR )\n\n IF ( IERROR .NE. 0 ) THEN\n MSG = 'MPI error sending data array BUFFER.'\n CALL PM3WARN( 'PWRGRDD', DATE, TIME, MSG )\n LERROR = .TRUE.\n END IF\n\n END IF ! if( my_pe .eq. io_pe )\n\nC Notify non-I/O processors of failure\n\n CALL MPI_ALLREDUCE( LERROR, RERROR, 1, MPI_LOGICAL, MPI_LAND, \n & MPI_COMM_WORLD, IERROR )\n\n IF ( IERROR .NE. 0 ) THEN\n MSG = 'MPI Allreduce error.'\n CALL PM3WARN( 'PWRGRDD', DATE, TIME, MSG )\n LERROR = .TRUE.\n END IF\n\n IF ( RERROR ) THEN\n MSG = 'Failed to write '\n & // TRIM( VARNAME ) //\n & ' from file '// TRIM( FILNAME )\n CALL PM3WARN( 'PWRGRDD', DATE, TIME, MSG )\n PWRGRDD = .FALSE.\n RETURN ! Write failed, so return.\n END IF\n\n RETURN\n END\n" }, { "path": "CCTM/src/PARIO/pwrite3.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n LOGICAL FUNCTION PWRITE3( FNAME, VNAME, JDATE, JTIME, BUFFER )\n\nC-----------------------------------------------------------------------\nC Function: Writes grided data BUFFER to the Models-3 data file with logical \nC name FNAME by collecting from each PE.\n\nC Return Value: TRUE iff the operation succeeds\n\nC Preconditions: FNAME is a Models-3 data file already opened for write\nC access by OPEN3() or by CREATE3()\n\nC Postconditions: Subsequent call to SHUT3() to flush the file to disk\n\nC Revision History:\nC prototype 08/01 by David Wong, Lockheed Martin\nC 10/01 by David Wong\nC -- expanded functionality to handle PING file\nC -- adjusted SIZE according to VID\nC -- modified the routine to accommodate writing sub-grid data\nC 12/02 by David Wong\nC -- exteneded to write dot file\nC 01/03 by David Wong\nC -- inserted WRTFLAG function to output time step info\nC 02/04 by David Wong\nC -- collect all subdomain data and call WRITE3 once\nC 02/11 by Shawn Roselle\nC -- Replaced I/O API include files with M3UTILIO; removed\nC deprecated TRIMLEN\nC 08/11 by David Wong\nC -- extended to handle window met_cro_3d file\nC 09/14 by David Wong\nC -- Removed redundant INCLUDE NETCDF.EXT statement\nC-----------------------------------------------------------------------\n\n USE PIOMAPS_MODULE\n USE M3UTILIO ! i/o api\n USE RUNTIME_VARS , ONLY : PWRTFLAG\n\n IMPLICIT NONE\n\nC Includes:\n\n INCLUDE 'STATE3.EXT'\n\n INCLUDE 'PIOVARS.EXT' ! Parameters for parallel implementation.\n INCLUDE 'PIOGRID.EXT' ! Parallel grid dimensions.\n! INCLUDE 'PIOMAPS.EXT' ! Parallel processor-to-subdomain maps.\n\n INCLUDE 'mpif.h'\n\nC Arguments:\n\n CHARACTER( * ) :: FNAME ! logical file name\n CHARACTER( * ) :: VNAME ! logical file name\n INTEGER JDATE ! date, formatted YYYYDDD\n INTEGER JTIME ! time, formatted HHMMSS\n REAL BUFFER( * ) ! output buffer array\n\nC Local Variables:\n\n INTEGER IDUM ! holds return value for INIT3()\n INTEGER FID ! file-subscript for STATE3 arrays\n INTEGER STEP ! time step record number\n INTEGER STEP2 ! 1 or 2, according to step mod 2\n INTEGER TFLAG( 2 ) ! ( JDATE=yyyyddd, JTIME=hhmmss )\n INTEGER IERR ! netCDF error status return\n CHARACTER( 16 ) :: FIL16 ! scratch file-name buffer\n CHARACTER( 16 ) :: VAR16 ! scratch variable-name buffer\n\nC Static Variables:\n LOGICAL FLCHANGE ! File-changed indicator.\n\nC File written to on previous call to pwrite3.\n CHARACTER( 16 ), SAVE :: PREVFILE = '????????????????'\n CHARACTER( 80 ) :: MSG ! Buffer for building error messages.\n\n INTEGER ERROR\n INTEGER NVARS ! Number of file variables to read.\n INTEGER IV ! Loop counter over file variables.\n INTEGER BUFSTEP ! Buffer stride length.\n INTEGER BP ! Position in buffer for specific variable.\n\n INTEGER PACKAGE( 4 ) ! MPI broadcast data\n\n CHARACTER( 16 ) :: VNAM16 ! Scratch area for variable name.\n\n LOGICAL, EXTERNAL :: PWRGRDD ! Parallel write for gridded data files.\n\nC-----------------------------------------------------------------------\n\nC Check that Models-3 I/O has been initialized:\n\n PWRITE3 = .TRUE.\n\n IF ( .NOT. FINIT3 ) THEN\n IDUM = INIT3()\n WRITE( LOGDEV,91010 ) 'WRITE3(): I/O API not yet initialized.'\n PWRITE3 = .FALSE.\n RETURN\n END IF\n\nC Find netCDF index for the file, and check time step availability:\n\n IF ( LEN( FNAME ) .GT. 16 ) THEN\n WRITE( LOGDEV,91001 )\n & 'File \"', FNAME, '\"',\n & 'Max file name length 16; actual:', LEN( FNAME )\n PWRITE3 = .FALSE.\n RETURN\n END IF\n\n IF ( LEN( VNAME ) .GT. 16 ) THEN\n WRITE( LOGDEV,91002 )\n & 'File \"', FNAME, '\"',\n & 'Variable \"', VNAME, '\"',\n & 'Max variable name length 16; actual:', LEN( VNAME )\n PWRITE3 = .FALSE.\n RETURN\n END IF\n\n VAR16 = VNAME ! fixed-length-16 scratch copy of name\n FIL16 = FNAME ! fixed-length-16 scratch copy of name\n FID = INDEX1 ( FIL16, COUNT3, FLIST3 )\n\n IF ( FNAME .EQ. PREVFILE ) THEN\n FLCHANGE = .FALSE.\n ELSE\n FLCHANGE = .TRUE.\n PREVFILE = FNAME\n END IF\n\n IF ( MY_PE .EQ. IO_PE ) THEN\n STEP = JSTEP3 ( JDATE, JTIME, SDATE3( FID ), STIME3( FID ),\n & ABS( TSTEP3( FID ) ) )\n END IF\n\n CALL MPI_BCAST ( STEP, 1, MPI_INTEGER, 0, MPI_COMM_WORLD, ERROR )\n\n IF ( STEP .LT. 0 ) THEN \n WRITE( LOGDEV,91020 )\n & 'Time step error writing file: ' // FIL16 ,\n & 'Requested date & time: ', JDATE, JTIME ,\n & 'File starting date & time:',\n & SDATE3( FID ), STIME3( FID ),\n & 'File time step: ', TSTEP3( FID )\n PWRITE3 = .FALSE.\n RETURN\n END IF\n \n IF ( MY_PE .EQ. IO_PE ) THEN\n\n IF ( TSTEP3( FID ) .LT. 0 ) THEN\n STEP2 = 1 + MOD ( STEP-1, 2 )\n TFLAG( 1 ) = JDATE\n TFLAG( 2 ) = JTIME\n ELSE IF ( TSTEP3( FID ) .EQ. 0 ) THEN\n STEP2 = STEP\n TFLAG( 1 ) = 0\n TFLAG( 2 ) = 0\n ELSE\n STEP2 = STEP\n TFLAG( 1 ) = JDATE\n TFLAG( 2 ) = JTIME\n END IF\n\nC Get file description.\n IF ( .NOT. DESC3( FNAME ) ) THEN\n MSG = 'Could not get '// TRIM( FNAME )\n & // ' file description'\n CALL M3WARN( 'PWRITE3', JDATE, JTIME, MSG )\n END IF\n\n END IF\n\n CALL MPI_BCAST ( UPNAM3D, 16, MPI_CHARACTER, 0, MPI_COMM_WORLD, ERROR )\n CALL MPI_BCAST ( FTYPE3D, 1, MPI_INTEGER, 0, MPI_COMM_WORLD, ERROR )\n\nC Operation valid only for gridded files.\n IF ( FTYPE3D .EQ. GRDDED3 ) THEN\n\n IF ( UPNAM3D .EQ. 'PDM' .OR.\n & UPNAM3D .EQ. 'READ_PTX2'.OR.\n & UPNAM3D .EQ. 'FAKE_GRIDDED' ) THEN\n\n IF ( MY_PE .EQ. IO_PE ) THEN\n IF ( .NOT. WRITE3 ( FNAME, VNAME, JDATE, JTIME, BUFFER ) ) THEN\n MSG = 'WRITE3 failed writing variable '\n & // TRIM( VNAME )\n & // ' to file '// TRIM( FNAME )\n CALL M3WARN( 'PWRITE3', JDATE, JTIME, MSG )\n PWRITE3 = .FALSE.\n END IF\n END IF\n\n ELSE\n \n IF ( MY_PE .EQ. IO_PE ) THEN\n PACKAGE( 1 ) = NCOLS3D\n PACKAGE( 2 ) = NROWS3D\n PACKAGE( 3 ) = NLAYS3D\n PACKAGE( 4 ) = NVARS3D\n END IF\n\n CALL MPI_BCAST ( PACKAGE, 4, MPI_INTEGER, 0, MPI_COMM_WORLD, ERROR )\n\n IF ( MY_PE .NE. IO_PE ) THEN\n NCOLS3D = PACKAGE( 1 )\n NROWS3D = PACKAGE( 2 )\n NLAYS3D = PACKAGE( 3 )\n NVARS3D = PACKAGE( 4 )\n END IF\n\n IF ( VAR16 .EQ. ALLVAR3 ) THEN\n NVARS = NVARS3D\n ELSE\n NVARS = 1\n END IF\n\n IF ( FLCHANGE ) THEN\n CALL GET_WRITE_MAP ( NUMPROCS, NPCOLD, NPROWD,\n & NCOLS3D, NROWS3D, NLAYS3D )\n END IF \n\nC Calculate buffer stride.\n! BUFSTEP = NUMCOLS * NUMROWS * NLAYS3D\n BUFSTEP = WR_NCOLS_PE( MY_PE+1 ) * WR_NROWS_PE( MY_PE+1 ) * NLAYS3D\n\nC Loop over file variables.\n DO IV = 1, NVARS\n\n IF ( VAR16 .EQ. ALLVAR3 ) THEN\n VNAM16 = VNAME3D( IV )\n ELSE\n VNAM16 = VAR16\n END IF\n\nC Calculate buffer position.\n BP = BUFSTEP * ( IV-1 ) + 1\n\n IF ( .NOT. PWRGRDD( FIL16, VNAM16, JDATE, JTIME, BUFFER( BP ),\n & NCOLS3D, NROWS3D, NLAYS3D,\n & WR_NCOLS_PE( MY_PE+1 ), \n & WR_NROWS_PE( MY_PE+1 ), NUMPROCS ) ) THEN\n! & NUMCOLS, NUMROWS, NUMPROCS ) ) THEN\n MSG = 'PWRGRDD failed writing variable '\n & // TRIM( VNAM16 ) //\n & ' to file '// TRIM( FIL16 )\n CALL PM3WARN( 'PWRITE3', JDATE, JTIME, MSG )\n PWRITE3 = .FALSE.\n RETURN\n END IF\n\n END DO\n\n END IF ! fake-gridded\n\n ELSE ! This is not a gridded file.\n\n MSG = 'PWRITE3 can not handle this type of data.'\n CALL PM3WARN( 'PWRITE3', JDATE, JTIME, MSG )\n PWRITE3 = .FALSE.\n RETURN\n\n END IF ! gridded file\n\n CALL MPI_BCAST ( PWRITE3, 1, MPI_LOGICAL, 0, MPI_COMM_WORLD, ERROR )\n\n IF ( .NOT. PWRITE3 ) THEN ! failure\n IF ( MY_PE .EQ. IO_PE ) THEN\n IF ( TSTEP3( FID ) .EQ. 0 ) THEN\n WRITE( LOGDEV, 92030 ) 'Error writing', VNAME, 'to', FNAME\n ELSE\n WRITE( LOGDEV, 92030 ) \n & 'Error writing', VNAME, 'to', FNAME, 'for', JDATE, JTIME\n END IF\n END IF\n RETURN\n END IF ! if failure\n \n IF ( MY_PE .EQ. IO_PE ) THEN\n MXREC3( FID ) = MAX( MXREC3( FID ), ABS( STEP ) )\n\n IF ( PWRTFLAG ) THEN ! log successful writes\n IF ( VAR16 .NE. ALLVAR3 ) THEN ! single variable written\n IF ( TSTEP3( FID ) .EQ. 0 ) THEN\n WRITE( LOGDEV,92020 ) VNAME, 'written to', FNAME\n ELSE\n WRITE( LOGDEV, 92020 ) \n & VNAME, 'written to', FNAME, 'for', JDATE, JTIME\n END IF\n ELSE ! vid <= 0: entire timestamp written\n IF ( TSTEP3( FID ) .EQ. 0 ) THEN\n WRITE( LOGDEV,92010 ) 'Record written to', FNAME\n ELSE\n WRITE( LOGDEV,92010 ) 'Timestep written to', FNAME,\n & 'for date and time', JDATE, JTIME\n END IF\n END IF ! if single variable write, or timestamp write\n END IF ! if PWRTFLAG\n END IF\n\n RETURN\n\nC-----------------------------------------------------------------------\n\nC Error and warning message formats... 91xxx\n\n91001 FORMAT ( //5X , '>>> WARNING in subroutine WRITE3 <<<',\n & /5X , 3A, /5X , A , I5, // )\n91002 FORMAT ( //5X , '>>> WARNING in subroutine WRITE3 <<<',\n & /5X , 3A, /5X , 3A, /5X , A , I5, // )\n91010 FORMAT ( //5X , '>>> WARNING in subroutine WRITE3 <<<',\n & 3 ( /5X , A , : ) , I5, // )\n91020 FORMAT ( //5X , '>>> WARNING in subroutine WRITE3 <<<',\n & /5X , A , 2 ( /5X , A , :, I9, :, ':' , I6.6 ),\n & /5X , A , 10X, I6.6, // )\n91030 FORMAT ( //5X , '>>> WARNING in subroutine WRITE3 <<<',\n & /5X , A , I5 , : , /5X , A )\n\nC Log message formats... 91xxx\n\n92010 FORMAT ( /5X, 3( A, :, 1X ), I8, ':', I6.6 )\n92020 FORMAT ( /5X, 4( A, :, 1X ), I8, ':', I6.6 )\n92030 FORMAT ( /5X, 5( A, :, 1X ), I8, ':', I6.6 )\n\n END\n" }, { "path": "CCTM/src/PARIO/subdmap.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker] \nC $Header: /project/work/rep/PARIO/src/subdmap.f,v 1.8 2011/03/30 18:13:07 sjr Exp $\n\n SUBROUTINE SUBDMAP ( NUMPROCS, NCOLS, NROWS, NLAYS, NPCOL, NPROW,\n & NCOLS_PE, NROWS_PE, COLSX_PE, ROWSX_PE,\n & MAXCELLS, IERR )\nC ....................................................................\n \nC PURPOSE: Subroutine to construct the horizontal\nC processor-to-subdomain map.\n \nC REVISION HISTORY: \nC Original version 3/96 by Al Bourgeois for parallel implementation.\nC Modified 6/98 by AJB to improve error detection.\nC Modified 07/08/1998 by AJB to add NPCOL and NPROW to argument list.\nC Modified 07/29/1998 by AJB to use M3WARN instead of EXTMSG.\nC Modified 08/31/1998 by AJB to remove MYCELLS, MAXBNDRY from arg. list.\nC Modified 09/03/1998 by AJB to remove call to WRSUBMAP, and remove\nC arguments IO_PE and MY_PE.\nC Modified 09/12/1998 by AJB to increase MAXCELLS for DOT grid.\nC Modified 12/07/1998 by Al Bourgeois to add EXTERNAL declarations.\nC Modified 08/06/1999 by Al Bourgeois to remove error flag from argument\nC list and to exit with PM3EXIT on allocation errors.\nC Modified 02/02/2004 by David Wong\nC -- uses f90 syntax to allocate memory rather than using DYNMEM library\nC Modified 02/23/2011 by Shawn Roselle\nC -- Replaced I/O API include files with M3UTILIO\n \nC ARGUMENT LIST DESCRIPTION:\nC M1 = PIOMAPS_MODULE\nC IN:\nC INTEGER NUMPROCS ! Number of processors\nC INTEGER NCOLS ! Total number of columns in grid\nC INTEGER NROWS ! Total number of rows in grid\nC INTEGER NLAYS ! Total number of layers in grid\nC INTEGER NPCOL ! Number of PEs across grid cols\nC INTEGER NPROW ! Number of PEs across grid rows\nC OUT:\nC INTEGER NCOLS_PE( NUMPROCS ) M1 ! Number of columns for each PE\nC INTEGER NROWS_PE( NUMPROCS ) M1 ! Number of rows for each PE\nC INTEGER COLSX_PE( 2,NUMPROCS ) M1 ! Column index range for each PE\nC INTEGER ROWSX_PE( 2,NUMPROCS ) M1 ! Row index range for each PE\nC INTEGER MAXCELLS ! Maximum subdomain size over PEs\nC INTEGER IERR\n \nC LOCAL VARIABLE DESCRIPTION: see below\n \nC NOTES: Uses dynamic memory allocation for NCOLS_WE and NROWS_SN\n \nC .......................................................................\n\n! USE PIOMAPS_MODULE\n USE M3UTILIO ! i/o api\n\n IMPLICIT NONE\n\nC ARGUMENTS:\n\n INTEGER NUMPROCS ! Number of processors\n INTEGER NCOLS ! Total number of columns in grid\n INTEGER NROWS ! Total number of rows in grid\n INTEGER NLAYS ! Total number of layers in grid\n INTEGER NPCOL ! Number of PEs across grid columns\n INTEGER NPROW ! Number of PEs across grid rows\n INTEGER NCOLS_PE( NUMPROCS ) ! Number of columns for each PE\n INTEGER NROWS_PE( NUMPROCS ) ! Number of rows for each PE\n INTEGER COLSX_PE( 2,NUMPROCS ) ! Column index range for each PE\n INTEGER ROWSX_PE( 2,NUMPROCS ) ! Row index range for each PE\n INTEGER MAXCELLS ! Maximum subdomain size over PEs\n INTEGER IERR ! return error code\n\nC EXTERNAL FUNCTIONS:\n\nC LOCAL VARIABLES: \n\n INTEGER I ! Loop counter.\n INTEGER NDX ! Temporary index for processors row, column.\n INTEGER NCOLX ! Used for computing columns per domain.\n INTEGER NROWX ! Used for computing rows per domain.\n INTEGER ICELLS ! Temporary variable for computing MAXCELLS.\n INTEGER DOT ! For allocation of dot-grid variables.\n CHARACTER( 80 ) :: MSG ! Message issued from M3WARN routine.\n\nC Dynamic arrays.\n\n INTEGER, ALLOCATABLE :: NCOLS_WE( : ) ! Number columns in west-to-east subdomains.\n INTEGER, ALLOCATABLE :: NROWS_SN( : ) ! Number rows in south-to-north subdomains.\n \nC .......................................................................\n\nC Initialize.\n DOT = 1\n\nC Allocate arrays.\n\n ALLOCATE ( NCOLS_WE( NPCOL ), STAT=IERR )\n IF ( IERR .NE. 0 ) THEN\n MSG = 'Error allocating NCOLS_WE.'\n CALL M3WARN ( 'SUBDMAP', 0, 0, MSG )\n RETURN\n END IF\n\n ALLOCATE ( NROWS_SN( NPROW ), STAT=IERR )\n IF ( IERR .NE. 0 ) THEN\n MSG = 'Error allocating NCOLS_SN.'\n CALL M3WARN ( 'SUBDMAP', 0, 0, MSG )\n RETURN\n END IF\n\nC Construct the processor-to-subdomain map.\n\n NCOLX = NCOLS / NPCOL\n NROWX = NROWS / NPROW\n\n DO I = 1 , NPCOL\n NCOLS_WE( I ) = NCOLX\n END DO\n\n DO I = 1 , NPROW\n NROWS_SN( I ) = NROWX\n END DO\n\n DO I = 1, NCOLS - NPCOL*NCOLX ! Spread out remaining columns\n NCOLS_WE( I ) = NCOLS_WE( I ) + 1\n END DO\n\n DO I = 1, NROWS - NPROW*NROWX\n NROWS_SN( I ) = NROWS_SN( I ) + 1 ! Spread out remaining rows\n END DO\n \nC Assign the number of rows and columns for each PE subdomain, \nC and calculate the index range into the global domain.\n\nC NPCOL\nC Example subdomain layout _____________________________________\nC for 8 processors with | | | | |\nC NPCOL=4, NPROW=2. | | | | |\nC | 5 | 6 | 7 | 8 |\nC | | | | |\nC NPROW |_________|_________|________|________|\nC | | | | |\nC | | | | |\nC | 1 | 2 | 3 | 4 |\nC | | | | |\nC | | | | |\nC |_________|_________|________|________|\n\n DO I = 1, NUMPROCS\n\nC Set NDX to the subdomain column index for processor I.\n NDX = MOD ( I,NPCOL )\n IF ( NDX .EQ. 0 ) NDX = NPCOL\n\nC Assign the number of columns in this PE.\n NCOLS_PE( I ) = NCOLS_WE( NDX )\n\nC Calculate column range of this PE in the global domain.\n IF ( NDX .EQ. 1 ) THEN\n COLSX_PE( 1,I ) = 1\n COLSX_PE( 2,I ) = NCOLS_PE( I )\n ELSE\n COLSX_PE( 1,I ) = COLSX_PE( 2,I-1 ) + 1\n COLSX_PE( 2,I ) = COLSX_PE( 2,I-1 ) + NCOLS_PE( I ) \n END IF\n\nC Set NDX to the subdomain row number for processor I.\n NDX = ( I - 1 ) / NPCOL + 1\n\nC Calculate number of rows in this PE.\n NROWS_PE( I ) = NROWS_SN( NDX )\n\nC Calculate row range of this PE in the global domain.\n IF ( I .LE. NPCOL ) THEN\n ROWSX_PE( 1,I ) = 1\n ROWSX_PE( 2,I ) = NROWS_PE( I )\n ELSE\n ROWSX_PE( 1,I ) = ROWSX_PE( 2,I-NPCOL ) + 1\n ROWSX_PE( 2,I ) = ROWSX_PE( 2,I-NPCOL ) + NROWS_PE( I ) \n END IF\n\n END DO\n\nC Compute the largest subdomain and the largest boundary.\n MAXCELLS = 0\n DO I = 1, NUMPROCS\n ICELLS = ( DOT + NCOLS_PE( I ) ) * ( DOT + NROWS_PE( I ) )\n IF ( MAXCELLS .LT. ICELLS ) MAXCELLS = ICELLS\n END DO\n MAXCELLS = MAXCELLS * NLAYS\n\nC Free memory allocated for dynamic arrays.\n\n DEALLOCATE ( NCOLS_WE, STAT=IERR )\n IF ( IERR .NE. 0 ) THEN\n MSG = 'Error deallocating NCOLS_WE.'\n CALL M3WARN ( 'SUBDMAP', 0, 0, MSG )\n END IF\n\n DEALLOCATE ( NROWS_SN, STAT=IERR )\n IF ( IERR .NE. 0 ) THEN\n MSG = 'Error deallocating NROWS_SN.'\n CALL M3WARN ( 'SUBDMAP', 0, 0, MSG )\n END IF\n\n RETURN\n END\n\n" }, { "path": "CCTM/src/PARIO/wrsubdmap.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n!:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n subroutine wrsubdmap ( nprocs, ncols_pe, nrows_pe, colsx_pe, rowsx_pe )\n\n implicit none\n\n!> layout parallel decomp subdomains given processor decomp and grid dimensions\n\n integer, intent( in ) :: nprocs ! npcol*nprow\n integer, intent( in ) :: ncols_pe( nprocs ) ! No. of 1st dimension elements per PE\n integer, intent( in ) :: nrows_pe( nprocs ) ! No. of 2nd dimension elements per PE\n integer, intent( in ) :: colsx_pe( 2,nprocs ) ! 1st dimension index range per PE\n integer, intent( in ) :: rowsx_pe( 2,nprocs ) ! 2nd dimension index range per PE\n\n character( 49 ) :: colrow = ' PE #Cols Col_Range #Rows Row_Range'\n character( 49 ) :: title\n\n integer i ! loop counter.\n\n title = colrow\n\n write( *,* )\n write( *,* ) ' -=- MPP Processor-to-Subdomain Map -=-'\n write( *,'(A,I3)' ) ' Number of Processors = ',nprocs\n write( *,* ) ' ____________________________________________________'\n write( *,* ) ' | |'\n write( *,* ) ' |' // title // ' |'\n write( *,* ) ' |__________________________________________________|'\n write( *,* ) ' | |'\n do i = 1, nprocs\n write( *,1003 ) i-1, ncols_pe(i), colsx_pe(1,i), colsx_pe(2,i),\n & nrows_pe(i), rowsx_pe(1,i), rowsx_pe(2,i)\n end do\n write( *,* ) ' |__________________________________________________|'\n write( *,* )\n\n1003 format(' |', i3, 5x, i4, 3x, i4, ':', i4,\n & 7x, i4, 3x, i4, ':', i4, ' |')\n\n end subroutine wrsubdmap\n" }, { "path": "CCTM/src/STENEX/noop/noop_comm_module.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC use F90 interface feature to achieve \"faked\" polymorphism for noop pe \nC communication routine \nC\nC Revision history:\nC\nC Orginal version: 11/05/99 by David Wong\nC --------------------------------------------------------------------------\n\n module noop_comm_module\n\n implicit none\n\n interface noop_comm\n module procedure noop_pe_comm1, \n & noop_pe_comm2, noop_pe_comm2e, \n & noop_pe_comm3, noop_pe_comm3e, noop_pe_comm3s,\n & noop_pe_comm4\n end interface\n\n contains\n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC to provide a no-op noop_comm1.f counter part for serial code\nC\nC Revision history:\nC\nC Orginal version: 10/6/98 by David Wong\nC 11/05/99 by David Wong\nC -- recode using F90 syntax\nC --------------------------------------------------------------------------\n\n subroutine noop_pe_comm1 (data, dispstr, dirstr, str)\n\n implicit none\n\n real, intent(in) :: data(:)\n character (len = 16), intent(in) :: dirstr\n character (len = 12), intent(in) :: dispstr\n character (len = *), optional, intent(in) :: str\n\n end subroutine noop_pe_comm1 \n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC to provide a no-op noop_comm2.f counter part for serial code\nC\nC Revision history:\nC\nC Orginal version: 10/6/98 by David Wong\nC 11/05/99 by David Wong\nC -- recode using F90 syntax\nC --------------------------------------------------------------------------\n\n subroutine noop_pe_comm2 (data, dispstr, dirstr, str)\n\n implicit none\n\n real, intent(in) :: data(:, :)\n character (len = 16), intent(in) :: dirstr\n character (len = 12), intent(in) :: dispstr\n character (len = *), optional, intent(in) :: str\n\n end subroutine noop_pe_comm2 \n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC to provide a no-op noop_comm2e.f counter part for serial code\nC\nC Revision history:\nC\nC Orginal version: 10/6/98 by David Wong\nC 11/05/99 by David Wong\nC -- recode using F90 syntax\nC --------------------------------------------------------------------------\n\n subroutine noop_pe_comm2e (data, dispstr, dirstr, flag, str)\n\n implicit none\n\n real, intent(in) :: data(:, :)\n character (len = 16), intent(in) :: dirstr\n character (len = 12), intent(in) :: dispstr\n integer, intent(in) :: flag\n character (len = *), optional, intent(in) :: str\n\n end subroutine noop_pe_comm2e \n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC to provide a no-op noop_comm3.f counter part for serial code\nC\nC Revision history:\nC\nC Orginal version: 10/6/98 by David Wong\nC 11/05/99 by David Wong\nC -- recode using F90 syntax\nC --------------------------------------------------------------------------\n\n subroutine noop_pe_comm3 (data, dispstr, dirstr, str)\n\n implicit none\n\n real, intent(in) :: data(:, :, :)\n character (len = 16), intent(in) :: dirstr\n character (len = 12), intent(in) :: dispstr\n character (len = *), optional, intent(in) :: str\n\n end subroutine noop_pe_comm3 \n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC to provide a no-op noop_comm3e.f counter part for serial code\nC\nC Revision history:\nC\nC Orginal version: 10/6/98 by David Wong\nC 11/05/99 by David Wong\nC -- recode using F90 syntax\nC --------------------------------------------------------------------------\n\n subroutine noop_pe_comm3e (data, dispstr, dirstr, flag, str)\n\n implicit none\n\n real, intent(in) :: data(:, :, :)\n character (len = 16), intent(in) :: dirstr\n character (len = 12), intent(in) :: dispstr\n integer, intent(in) :: flag\n character (len = *), optional, intent(in) :: str\n\n end subroutine noop_pe_comm3e \n\n subroutine noop_pe_comm3s (sdata, ddata, dispstr, dirstr, str)\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC to provide a no-op noop_comm3s counter part for serial code\nC\nC Revision history:\nC\nC Original version: Oct 01, 2018\nC --------------------------------------------------------------------------\n implicit none\n\n real, intent(in) :: sdata(:,:,:)\n real, intent(in) :: ddata(:,:,:)\n character (len = 16), intent(in) :: dirstr\n character (len = 12), intent(in) :: dispstr\n character (len = *), optional, intent(in) :: str\n \n end subroutine noop_pe_comm3s\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC to provide a no-op noop_comm4.f counter part for serial code\nC\nC Revision history:\nC\nC Orginal version: 10/6/98 by David Wong\nC 11/05/99 by David Wong\nC -- recode using F90 syntax\nC --------------------------------------------------------------------------\n\n subroutine noop_pe_comm4 (data, dispstr, dirstr, str)\n\n implicit none\n\n real, intent(in) :: data(:, :, :, :)\n character (len = 16), intent(in) :: dirstr\n character (len = 12), intent(in) :: dispstr\n character (len = *), optional, intent(in) :: str\n\n end subroutine noop_pe_comm4 \n\n end module noop_comm_module\n" }, { "path": "CCTM/src/STENEX/noop/noop_data_copy_module.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/work/rep/STENEX/src/noop_f90/noop_data_copy_module.f,v 1.3 2002/02/28 15:25:45 yoj Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC use F90 interface feature to achieve \"faked\" polymorphism for noop data\nC copy routine\nC\nC Revision history:\nC\nC Orginal version: 11/05/99 by David Wong\nC --------------------------------------------------------------------------\n\n module noop_data_copy_module\n\n implicit none\n\n interface noop_data_copy\n module procedure noop_2d_data_copy, noop_2de_data_copy,\n & noop_3d_data_copy, noop_3de_data_copy, \n & noop_4d_data_copy, noop_4de_data_copy\n end interface\n\n contains\n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC to provide a no-op 2-D noop_data_copy.f counter part for serial code\nC\nC Revision history:\nC\nC Orginal version: 02/15/99 by David Wong\nC 11/05/99 by David Wong\nC -- recode using F90 syntax\nC --------------------------------------------------------------------------\n\n subroutine noop_2d_data_copy (data1, data2)\n\n implicit none\n\n real, intent(in) :: data1(:, :)\n real, intent(out) :: data2(:, :)\n\n end subroutine noop_2d_data_copy \n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC to provide a no-op 2-D noop_data_copy.f counter part for serial code\nC\nC Revision history:\nC\nC Orginal version: 02/15/99 by David Wong\nC 11/05/99 by David Wong\nC -- recode using F90 syntax\nC 05/11/01 by David Wong\nC -- fixed data1 declaration bug\nC --------------------------------------------------------------------------\n\n subroutine noop_2de_data_copy (data1, data2, spc)\n\n implicit none\n\n real, intent(in) :: data1(:, :, :)\n real, intent(out) :: data2(:, :)\n integer, intent(in) :: spc\n\n end subroutine noop_2de_data_copy\n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC to provide a no-op 3-D noop_data_copy.f counter part for serial code\nC\nC Revision history:\nC\nC Orginal version: 02/15/99 by David Wong\nC 11/05/99 by David Wong\nC -- recode using F90 syntax\nC --------------------------------------------------------------------------\n\n subroutine noop_3d_data_copy (data1, data2)\n\n implicit none\n\n real, intent(in) :: data1(:, :, :)\n real, intent(out) :: data2(:, :, :)\n\n end subroutine noop_3d_data_copy \n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC to provide a no-op 3-D noop_data_copy.f counter part for serial code\nC\nC Revision history:\nC\nC Orginal version: 02/15/99 by David Wong\nC 11/05/99 by David Wong\nC -- recode using F90 syntax\nC 05/11/01 by David Wong\nC -- fixed data1 declaration bug\nC --------------------------------------------------------------------------\n\n subroutine noop_3de_data_copy (data1, data2, spc)\n\n implicit none\n\n real, intent(in) :: data1(:, :, :, :)\n real, intent(out) :: data2(:, :, :)\n integer, intent(in) :: spc\n\n end subroutine noop_3de_data_copy \n\nC --------------------------------------------------------------------------\n\n subroutine noop_4d_data_copy (data1, data2)\n\n implicit none\n\n real, intent(in) :: data1(:, :, :, :)\n real, intent(out) :: data2(:, :, :, :)\n\n end subroutine noop_4d_data_copy \n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC to provide a no-op 4-D noop_data_copy.f counter part for serial code\nC\nC Revision history:\nC\nC Orginal version: 02/15/99 by David Wong\nC 11/05/99 by David Wong\nC -- recode using F90 syntax\nC --------------------------------------------------------------------------\n\n subroutine noop_4de_data_copy (data1, data2, spc, des)\n\n implicit none\n\n real, intent(in) :: data1(:, :, :, :)\n real, intent(out) :: data2(:, :, :, :)\n integer, intent(in) :: spc, des\n\n end subroutine noop_4de_data_copy \n\n end module noop_data_copy_module\n" }, { "path": "CCTM/src/STENEX/noop/noop_gather_module.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/work/rep/STENEX/src/noop_f90/noop_gather_module.f,v 1.2 2000/12/22 18:38:22 yoj Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC use F90 module feature to include all routines to perform data gather \nC function in one module and use F90 interface feature to achieve \"faked\" \nC polymorphism for data gather routine\nC\nC Revision history:\nC\nC Orginal version: 11/05/99 by David Wong\nC Add integer data 12/16/00 by Jeff Young\nC --------------------------------------------------------------------------\n\n module noop_gather_module\n\n implicit none\n\n interface noop_gather\n module procedure noop_gather1i, noop_gather1r, \n & noop_gather2i, noop_gather2r,\n & noop_gather3i, noop_gather3r,\n & noop_gather4i, noop_gather4r\n end interface\n\n contains\n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC to provide a no-op noop_gather1.f counter part for serial code\nC\nC Revision history:\nC\nC Orginal version: 7/14/98 by David Wong\nC 11/05/99 by David Wong\nC -- recode the code using F90 syntax\nC --------------------------------------------------------------------------\n\n subroutine noop_gather1r (data, pec, ptr, n, sdim)\n\n implicit none\n\n integer, intent(in) :: n, sdim, pec(:), ptr(:)\n real, intent(in) :: data(:)\n\n end subroutine noop_gather1r\n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC to provide a no-op noop_gather2.f counter part for serial code\nC\nC Revision history:\nC\nC Orginal version: 7/14/98 by David Wong\nC 11/05/99 by David Wong\nC -- recode the code using F90 syntax\nC --------------------------------------------------------------------------\n\n subroutine noop_gather2r (data, pec, ptr, n, sdim)\n\n implicit none\n\n integer, intent(in) :: n, sdim, pec(:), ptr(:)\n real, intent(in) :: data(:, :)\n\n end subroutine noop_gather2r\n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC to provide a no-op noop_gather3.f counter part for serial code\nC\nC Revision history:\nC\nC Orginal version: 6/23/98 by David Wong\nC 11/05/99 by David Wong\nC -- recode the code using F90 syntax\nC --------------------------------------------------------------------------\n\n subroutine noop_gather3r (data, pec, ptr, n, sdim)\n\n implicit none\n\n integer, intent(in) :: n, sdim, pec(:), ptr(:)\n real, intent(in) :: data(:, :, :)\n\n end subroutine noop_gather3r \n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC to provide a no-op noop_gather4.f counter part for serial code\nC\nC Revision history:\nC\nC Orginal version: 7/14/98 by David Wong\nC 11/05/99 by David Wong\nC -- recode the code using F90 syntax\nC --------------------------------------------------------------------------\n\n subroutine noop_gather4r (data, pec, ptr, n, sdim)\n\n implicit none\n\n integer, intent(in) :: n, sdim, pec(:), ptr(:)\n real, intent(in) :: data(:, :, :, :)\n\n end subroutine noop_gather4r\n\nC --------------------------------------------------------------------------\n\n subroutine noop_gather1i (data, pec, ptr, n, sdim)\n\n implicit none\n\n integer, intent(in) :: n, sdim, pec(:), ptr(:)\n integer, intent(in) :: data(:)\n\n end subroutine noop_gather1i\n\nC --------------------------------------------------------------------------\n\n subroutine noop_gather2i (data, pec, ptr, n, sdim)\n\n implicit none\n\n integer, intent(in) :: n, sdim, pec(:), ptr(:)\n integer, intent(in) :: data(:, :)\n\n end subroutine noop_gather2i\n\nC --------------------------------------------------------------------------\n\n subroutine noop_gather3i (data, pec, ptr, n, sdim)\n\n implicit none\n\n integer, intent(in) :: n, sdim, pec(:), ptr(:)\n integer, intent(in) :: data(:, :, :)\n\n end subroutine noop_gather3i \n\nC --------------------------------------------------------------------------\n\n subroutine noop_gather4i (data, pec, ptr, n, sdim)\n\n implicit none\n\n integer, intent(in) :: n, sdim, pec(:), ptr(:)\n integer, intent(in) :: data(:, :, :, :)\n\n end subroutine noop_gather4i\n\n end module noop_gather_module\n" }, { "path": "CCTM/src/STENEX/noop/noop_global_max_module.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/work/rep/STENEX/src/noop_f90/noop_global_max_module.f,v 1.1.1.1 2000/04/12 17:40:55 yoj Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC use F90 interface feature to achieve \"faked\" polymorphism for noop global \nC max routine\nC\nC Revision history:\nC\nC Orginal version: 11/05/99 by David Wong\nC -----------------------------------------------------------------------------\n\n module noop_global_max_module\n\n implicit none\n\n interface noop_global_max\n module procedure noop_global_imax, noop_global_rmax\n end interface\n\n contains\n\nC -----------------------------------------------------------------------------\nC Purpose: \nC\nC to provide a no-op counter part for serial code se_global_imax.f\nC\nC Revision history:\nC\nC Orginal version: 6/9/99 by David Wong\nC 11/05/99 by David Wong\nC -- recode using F90 syntax\nC\nC Parameter List:\nC\nC In: var -- input variable\nC -----------------------------------------------------------------------------\n\n function noop_global_imax (var) result (noop_global_imax_result)\n\n implicit none\n\n integer, intent(in) :: var\n integer :: noop_global_imax_result\n\n noop_global_imax_result = var\n\n end function noop_global_imax \n\nC -----------------------------------------------------------------------------\nC Purpose: \nC\nC to provide a no-op counter part for serial code se_global_rmax.f\nC\nC Revision history:\nC\nC Orginal version: 6/9/99 by David Wong\nC 11/05/99 by David Wong\nC -- recode using F90 syntax\nC\nC Parameter List:\nC\nC In: var -- input variable\nC -----------------------------------------------------------------------------\n\n function noop_global_rmax (var) result (noop_global_rmax_result)\n\n implicit none\n\n real, intent(in) :: var\n real :: noop_global_rmax_result\n\n\n noop_global_rmax_result = var\n\n end function noop_global_rmax \n\n end module noop_global_max_module\n" }, { "path": "CCTM/src/STENEX/noop/noop_global_min_module.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/work/rep/STENEX/src/noop_f90/noop_global_min_module.f,v 1.1.1.1 2000/04/12 17:40:55 yoj Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC use F90 interface feature to achieve \"faked\" polymorphism for noop global \nC min routine\nC\nC Revision history:\nC\nC Orginal version: 11/05/99 by David Wong\nC -----------------------------------------------------------------------------\n\n module noop_global_min_module\n\n implicit none\n\n interface noop_global_min\n module procedure noop_global_imin, noop_global_rmin\n end interface\n\n contains\n\nC -----------------------------------------------------------------------------\nC Purpose: \nC\nC to provide a no-op counter part for serial code se_global_imin.f\nC\nC Revision history:\nC\nC Orginal version: 6/9/99 by David Wong\nC 11/05/99 by David Wong\nC -- recode using F90 syntax\nC\nC Parameter List:\nC\nC In: var -- input variable\nC -----------------------------------------------------------------------------\n\n function noop_global_imin (var) result (noop_global_imin_result)\n\n implicit none\n\n integer, intent(in) :: var\n integer :: noop_global_imin_result\n\n noop_global_imin_result = var\n\n end function noop_global_imin \n\nC -----------------------------------------------------------------------------\nC Purpose: \nC\nC to provide a no-op counter part for serial code se_global_rmin.f\nC\nC Revision history:\nC\nC Orginal version: 6/9/99 by David Wong\nC 11/05/99 by David Wong\nC -- recode using F90 syntax\nC\nC Parameter List:\nC\nC In: var -- input variable\nC -----------------------------------------------------------------------------\n\n function noop_global_rmin (var) result (noop_global_rmin_result)\n\n real none\n\n real, intent(in) :: var\n real :: noop_global_rmin_result\n\n noop_global_rmin_result = var\n\n end function noop_global_rmin \n\n end module noop_global_min_module\n" }, { "path": "CCTM/src/STENEX/noop/noop_global_sum_module.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/work/rep/STENEX/src/noop_f90/noop_global_sum_module.f,v 1.1.1.1 2000/04/12 17:40:55 yoj Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC use F90 interface feature to achieve \"faked\" polymorphism for noop global \nC sum routine\nC\nC Revision history:\nC\nC Orginal version: 11/05/99 by David Wong\nC -----------------------------------------------------------------------------\n\n module noop_global_sum_module\n\n implicit none\n\n interface noop_global_sum\n module procedure noop_global_isum, noop_global_rsum\n end interface\n\n contains\n\nC -----------------------------------------------------------------------------\nC Purpose: a noop counter part of se_global_isum which determine the global \nC integer sum\nC\nC Revision history:\nC\nC Orginal version: 11/16/98 by David Wong\nC 11/05/99 by David Wong\nC -- recode using F90 syntax\nC\nC Parameter List:\nC\nC In: var -- sum variable\nC -----------------------------------------------------------------------------\n\n function noop_global_isum (var) result (noop_global_isum_result)\n\n implicit none\n\n integer, intent(in) :: var\n integer :: noop_global_isum_result\n\n noop_global_isum_result = var\n\n end function noop_global_isum \n\nC -----------------------------------------------------------------------------\nC Purpose: a noop counter part of se_global_rsum which determine the global \nC real sum\nC\nC Revision history:\nC\nC Orginal version: 11/16/98 by David Wong\nC 11/05/99 by David Wong\nC -- recode using F90 syntax\nC\nC Parameter List:\nC\nC In: var -- sum variable\nC -----------------------------------------------------------------------------\n\n function noop_global_rsum (var) result (noop_global_rsum_result)\n\n implicit none\n\n real, intent(in) :: var\n real :: noop_global_rsum_result\n\n noop_global_rsum_result = var\n\n end function noop_global_rsum\n\n end module noop_global_sum_module\n" }, { "path": "CCTM/src/STENEX/noop/noop_init_module.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/work/rep/STENEX/src/noop_f90/noop_init_module.f,v 1.1.1.1 2000/04/12 17:40:55 yoj Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC use F90 module feature to capture noop_init routine\nC\nC Revision history:\nC\nC Orginal version: 11/05/99 by David Wong\nC --------------------------------------------------------------------------\n\n module noop_init_module\n\n implicit none\n\n contains\n\nC -----------------------------------------------------------------------------\nC Purpose:\nC\nC to provide a no-op noop_init.f counter part for serial code\nC\nC Revision history:\nC\nC Orginal version: 10/6/98 by David Wong\nC 11/05/99 by David Wong\nC -- recode using F90 syntax\nC -----------------------------------------------------------------------------\n\n subroutine noop_init (numprocs, nprow, npcol, gl_nrows, \n $ gl_ncols, gl_nlays, gl_nspcs, my_pe,\n $ mndis, medis, msdis, mwdis, data_ori, geo_ori)\n\n implicit none\n\n integer, intent(in) :: numprocs, nprow, npcol\n integer, intent(in) :: gl_nrows, gl_ncols, gl_nlays, gl_nspcs\n integer, intent(in) :: my_pe\n integer, intent(in) :: mndis, medis, msdis, mwdis\n character (len = 2), optional, intent(in) :: data_ori\n integer, optional, intent(in) :: geo_ori\n\n end subroutine noop_init \n\n end module noop_init_module\n" }, { "path": "CCTM/src/STENEX/noop/noop_modules.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/work/rep/STENEX/src/noop_f90/noop_modules.f,v 1.3 2002/02/28 15:20:36 yoj Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC to provide an interface between the noop stencil exchange library and the\nC application code\nC\nC Revision history:\nC\nC Orginal version: 11/05/99 by David Wong\nC 02/27/01 by David Wong\nC -- to include a new statement: use noop_term_module\nC 11/27/01 by David Wong\nC -- include a new module: noop_bndy_copy_module\nC --------------------------------------------------------------------------\n\n module noop_modules\n\n use noop_init_module\n use noop_term_module\n\n use noop_util_module\n\n use noop_comm_module\n use noop_slice_module\n use noop_data_copy_module\n use noop_gather_module\n\n use noop_global_max_module\n use noop_global_min_module\n use noop_global_sum_module\n\n end module noop_modules\n" }, { "path": "CCTM/src/STENEX/noop/noop_slice_module.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/work/rep/STENEX/src/noop_f90/noop_slice_module.f,v 1.2 2000/12/22 18:37:12 yoj Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC use F90 interface feature to achieve \"faked\" polymorphism for data\nC slicing routine\nC\nC Revision history:\nC\nC Orginal version: 11/05/99 by David Wong\nC Add integer data 12/20/00 by Jeff Young\nC --------------------------------------------------------------------------\n\n module noop_slice_module\n\n implicit none\n\n interface noop_slice\n module procedure noop_slice1i, noop_slice1r,\n & noop_slice2i, noop_slice2r,\n & noop_slice3i, noop_slice3r,\n & noop_slice4i, noop_slice4r\n end interface\n\n contains\n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC to provide a no-op noop_slice1i.f counter part for serial code\nC\nC Revision history:\nC\nC Orginal version: 5/26/98 by David Wong\nC 11/05/99 by David Wong\nC -- recode using F90 syntax\nC --------------------------------------------------------------------------\n\n subroutine noop_slice1i (data, sourcepe, destpe, dim, from, to)\n\n implicit none\n\n integer, intent(in) :: sourcepe, destpe, dim, from, to\n integer, intent(in) :: data(:)\n\n end subroutine noop_slice1i \n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC to provide a no-op noop_slice1r.f counter part for serial code\nC\nC Revision history:\nC\nC Orginal version: 5/26/98 by David Wong\nC 11/05/99 by David Wong\nC -- recode using F90 syntax\nC --------------------------------------------------------------------------\n\n subroutine noop_slice1r (data, sourcepe, destpe, dim, from, to)\n\n implicit none\n\n integer, intent(in) :: sourcepe, destpe, dim, from, to\n real, intent(in) :: data(:)\n\n end subroutine noop_slice1r \n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC to provide a no-op noop_slice2i.f counter part for serial code\nC\nC Revision history:\nC\nC Orginal version: 5/26/98 by David Wong\nC 11/05/99 by David Wong\nC -- recode using F90 syntax\nC --------------------------------------------------------------------------\n\n subroutine noop_slice2i (data, sourcepe, destpe, dim, from, to)\n\n implicit none\n\n integer, intent(in) :: sourcepe, destpe, dim, from, to\n integer, intent(in) :: data(:, :)\n\n end subroutine noop_slice2i \n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC to provide a no-op noop_slice2r.f counter part for serial code\nC\nC Revision history:\nC\nC Orginal version: 5/26/98 by David Wong\nC 11/05/99 by David Wong\nC -- recode using F90 syntax\nC --------------------------------------------------------------------------\n\n subroutine noop_slice2r (data, sourcepe, destpe, dim, from, to)\n\n implicit none\n\n integer, intent(in) :: sourcepe, destpe, dim, from, to\n real, intent(in) :: data(:, :)\n\n end subroutine noop_slice2r \n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC to provide a no-op noop_slice3i.f counter part for serial code\nC\nC Revision history:\nC\nC Orginal version: 5/26/98 by David Wong\nC 11/05/99 by David Wong\nC -- recode using F90 syntax\nC --------------------------------------------------------------------------\n\n subroutine noop_slice3i (data, sourcepe, destpe, dim, from, to)\n\n implicit none\n\n integer, intent(in) :: sourcepe, destpe, dim, from, to\n integer, intent(in) :: data(:, :, :)\n\n end subroutine noop_slice3i \n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC to provide a no-op noop_slice3r.f counter part for serial code\nC\nC Revision history:\nC\nC Orginal version: 5/26/98 by David Wong\nC 11/05/99 by David Wong\nC -- recode using F90 syntax\nC --------------------------------------------------------------------------\n\n subroutine noop_slice3r (data, sourcepe, destpe, dim, from, to)\n\n implicit none\n\n integer, intent(in) :: sourcepe, destpe, dim, from, to\n real, intent(in) :: data(:, :, :)\n\n end subroutine noop_slice3r \n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC to provide a no-op noop_slice4i.f counter part for serial code\nC\nC Revision history:\nC\nC Orginal version: 5/26/98 by David Wong\nC 11/05/99 by David Wong\nC -- recode using F90 syntax\nC --------------------------------------------------------------------------\n\n subroutine noop_slice4i (data, sourcepe, destpe, dim, from, to)\n\n implicit none\n\n integer, intent(in) :: sourcepe, destpe, dim, from, to\n integer, intent(in) :: data(:, :, :, :)\n\n end subroutine noop_slice4i \n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC to provide a no-op noop_slice4r.f counter part for serial code\nC\nC Revision history:\nC\nC Orginal version: 5/26/98 by David Wong\nC 11/05/99 by David Wong\nC -- recode using F90 syntax\nC --------------------------------------------------------------------------\n\n subroutine noop_slice4r (data, sourcepe, destpe, dim, from, to)\n\n implicit none\n\n integer, intent(in) :: sourcepe, destpe, dim, from, to\n real, intent(in) :: data(:, :, :, :)\n\n end subroutine noop_slice4r \n\n end module noop_slice_module\n" }, { "path": "CCTM/src/STENEX/noop/noop_term_module.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/work/rep/STENEX/src/noop_f90/noop_term_module.f,v 1.1 2002/02/28 16:27:28 yoj Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC to terminate stenex library\nC\nC Revision history:\nC\nC Orginal version: 11/30/00 by David Wong\nC --------------------------------------------------------------------------\n\n module noop_term_module\n\n implicit none\n\n contains\n\n subroutine noop_term \n\n implicit none\n\n return\n end subroutine noop_term \n\n end module noop_term_module\n" }, { "path": "CCTM/src/STENEX/noop/noop_util_module.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/work/rep/STENEX/src/noop_f90/noop_util_module.f,v 1.5 2002/02/28 15:22:46 yoj Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC use F90 interface feature to achieve \"faked\" polymorphism for noop data\nC initialization routine and use F90 module feature to collect a set of \nC noop utility routines which consists of:\nC\nC noop_init_array.f\nC noop_hi_lo_bnd_pe.f\nC noop_loop_index.f\nC noop_barrier.f\nC noop_global_min_data.f\nC noop_global_to_local_coord.f\nC noop_subgrid_index.f\nC noop_sum_chk.f\nC noop_my_region.f\nC noop_global_logical.f\nC noop_in_syn \nC\nC that are used directly from the application\nC\nC Revision history:\nC\nC Orginal version: 11/05/99 by David Wong\nC 04/24/00 by David Wong\nC -- include a new module, se_global_logical.f\nC -----------------------------------------------------------------------------\n\n module noop_util_module\n\n implicit none\n\n interface noop_init_array\n module procedure noop_init_iarray, noop_init_rarray\n end interface\n\n interface noop_sum_chk\n module procedure noop_isum_chk, noop_rsum_chk\n end interface\n\n interface noop_subgrid_index\n module procedure noop_subgrid_index_2, noop_subgrid_index_3,\n & noop_subgrid_index_n2, noop_subgrid_index_n3\n end interface\n\n contains\n\nC -----------------------------------------------------------------------------\nC Purpose:\nC\nC to provide a no-op noop_init_iarray.f counter part for serial code\nC\nC Revision history:\nC\nC Orginal version: 5/20/99 by David Wong\nC 11/05/99 by David Wong\nC -- recode using F90 syntax\nC -----------------------------------------------------------------------------\n\n subroutine noop_init_iarray ( wpe, val )\n\n implicit none\n\n integer, intent(out) :: wpe(:)\n integer, intent(in) :: val\n\n integer i\n\n do i = 1, size(wpe,1)\n wpe(i) = val\n end do\n\n end subroutine noop_init_iarray \n\nC -----------------------------------------------------------------------------\nC Purpose:\nC\nC to provide a no-op noop_init_rarray.f counter part for serial code\nC\nC Revision history:\nC\nC Orginal version: 10/05/00 by David Wong\nC -----------------------------------------------------------------------------\n\n subroutine noop_init_rarray ( wpe, val )\n\n implicit none\n\n real, intent(out) :: wpe(:)\n real, intent(in) :: val\n\n integer i\n\n do i = 1, size(wpe,1)\n wpe(i) = val\n end do\n\n end subroutine noop_init_rarray\n\nC -----------------------------------------------------------------------------\nC Purpose:\nC\nC to provide a no-op hi_lo_bnd_pe.f counter part for serial code\nC\nC Revision history:\nC\nC Orginal version: 1/19/99 by David Wong\nC 11/05/99 by David Wong\nC -- recode using F90 syntax\nC -----------------------------------------------------------------------------\n\n subroutine noop_hi_lo_bnd_pe (ori, low_index, high_index)\n\n implicit none\n\n character, intent(in) :: ori\n logical, intent(out) :: low_index, high_index\n\n low_index = .true.\n high_index = .true.\n\n end subroutine noop_hi_lo_bnd_pe\n\nC -----------------------------------------------------------------------------\nC Purpose:\nC\nC to provide a no-op loop_index.f counter part for serial code\nC\nC Revision history:\nC\nC Orginal version: 10/06/98 by David Wong\nC 01/19/99 by David Wong\nC removed the top_pe and bot_pe logical part which is \nC computed in a seperate subroutine noop_hi_lo_bnd_pe.f\nC 11/05/99 by David Wong\nC -- recode using F90 syntax\nC -----------------------------------------------------------------------------\n\n subroutine noop_loop_index (ori, gstart, gend, dif, my_nn, start, end)\n\n implicit none\n\n character, intent(in) :: ori\n integer, intent(in) :: gstart, gend, dif\n integer, intent(out) :: my_nn, start, end\n\n start = gstart\n end = gend + dif\n\n my_nn = gend\n\n end subroutine noop_loop_index \n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC to provide a no-op noop_barrier.f counter part for serial code\nC\nC Revision history:\nC\nC Orginal version: 10/6/98 by David Wong\nC 11/05/99 by David Wong\nC -- recode using F90 syntax\nC --------------------------------------------------------------------------\n\n subroutine noop_barrier\n\n implicit none\n\n end subroutine noop_barrier\n\nC -----------------------------------------------------------------------------\nC Purpose:\nC\nC to provide a no-op noop_global_min_data.f counter part for serial code\nC\nC Revision history:\nC\nC Orginal version: 2/15/98 by David Wong\nC 11/05/99 by David Wong\nC -- recode using F90 syntax\nC -----------------------------------------------------------------------------\n\n subroutine noop_global_min_data (var, col, row, lvl, meddyv, never,\n & mtrop, ftrop, mth1, mth2, mrib, mws)\n\n implicit none\n\n real, intent(in) :: var\n real, intent(inout) :: meddyv, mth1, mth2, mrib, mws\n integer, intent(inout) :: col, row, lvl, mtrop\n logical, intent(inout) :: never, ftrop\n\n end subroutine noop_global_min_data \n\nC -----------------------------------------------------------------------------\nC Purpose:\nC\nC to provide a no-op noop_global_to_local_coord.f counter part for serial code\nC\nC Revision history:\nC\nC Orginal version: 6/18/99 by David Wong\nC 11/05/99 by David Wong\nC -- recode using F90 syntax\nC -----------------------------------------------------------------------------\n\n subroutine noop_global_to_local_coord (x, y, my_x, my_y, nthick)\n\n implicit none\n\n integer, intent(in) :: x, y, nthick\n integer, intent(inout) :: my_x, my_y\n\n my_x = x\n my_y = y\n\n end subroutine noop_global_to_local_coord \n\nC -----------------------------------------------------------------------------\n\n subroutine noop_subgrid_index_2 (begrow, endrow, begcol, endcol,\n & my_begrow, my_endrow,\n & my_begcol, my_endcol,\n & my_subgrid_rows, my_subgrid_cols,\n & nrows_in, ncols_in)\n\n implicit none\n\n integer, intent(in) :: begrow, endrow, begcol, endcol\n integer, intent(out) :: my_begrow, my_endrow, my_begcol, my_endcol\n integer, intent(out) :: my_subgrid_rows, my_subgrid_cols\n integer, optional, intent(in) :: nrows_in, ncols_in\n\n my_begrow = begrow\n my_endrow = endrow\n my_begcol = begcol\n my_endcol = endcol\n my_subgrid_rows = endrow - begrow + 1\n my_subgrid_cols = endcol - begcol + 1\n\n end subroutine noop_subgrid_index_2 \n\n\nC Revision history:\nC\nC Orginal version: 10/26/00 by David Wong\nC 12/18/00 by Jeff Young\nC -- remove my_subgrid_levs to make backwardly compatible w/\nC CCTM code - can't decompose in this dimension now.\nC\n\nC -----------------------------------------------------------------------------\n subroutine noop_subgrid_index_3\n & ( begrow, endrow, begcol, endcol, beglev, endlev,\n & my_begrow, my_endrow, my_begcol, my_endcol, my_beglev, my_endlev,\n! & my_subgrid_rows, my_subgrid_cols, my_subgrid_levs,\n & my_subgrid_rows, my_subgrid_cols,\n & nrows_in, ncols_in, nlevs_in )\n\n implicit none\n\n integer, intent(in) :: begrow, endrow, begcol, endcol, beglev, endlev\n integer, intent(out) :: my_begrow, my_endrow, my_begcol, my_endcol\n integer, intent(out) :: my_beglev, my_endlev\n integer, intent(out) :: my_subgrid_rows, my_subgrid_cols\n! & my_subgrid_levs\n integer, optional, intent(in) :: nrows_in, ncols_in, nlevs_in\n\n my_begrow = begrow\n my_endrow = endrow\n my_begcol = begcol\n my_endcol = endcol\n my_beglev = beglev\n my_endlev = endlev\n my_subgrid_rows = endrow - begrow + 1\n my_subgrid_cols = endcol - begcol + 1\n! my_subgrid_levs = endlev - beglev + 1\n\n end subroutine noop_subgrid_index_3\n\nC -----------------------------------------------------------------------------\n subroutine noop_subgrid_index_n2 (begrow, endrow, begcol, endcol,\n & my_begrow, my_endrow,\n & my_begcol, my_endcol, flag)\n\n implicit none\n\n integer, intent(in) :: begrow, endrow, begcol, endcol\n integer, intent(out) :: my_begrow, my_endrow, my_begcol, my_endcol\n character, intent(in) :: flag\n\n my_begrow = begrow\n my_endrow = endrow\n my_begcol = begcol\n my_endcol = endcol\n\n end subroutine noop_subgrid_index_n2 \n\nC -----------------------------------------------------------------------------\n subroutine noop_subgrid_index_n3 (begrow, endrow, begcol, endcol,\n & beglev, endlev,\n & my_begrow, my_endrow,\n & my_begcol, my_endcol,\n & my_beglev, my_endlev, flag)\n\n implicit none\n\n integer, intent(in) :: begrow, endrow, begcol, endcol, beglev, endlev\n integer, intent(out) :: my_begrow, my_endrow, my_begcol,\n & my_endcol, my_beglev, my_endlev\n character, intent(in) :: flag\n\n my_begrow = begrow\n my_endrow = endrow\n my_begcol = begcol\n my_endcol = endcol\n my_beglev = beglev\n my_endlev = endlev\n\n end subroutine noop_subgrid_index_n3\n\nC -- Fortran functions\n\nC -----------------------------------------------------------------------------\nC Purpose: \nC\nC to provide a no-op noop_isum_ck.f counter part for serial code\nC\nC Revision history:\nC\nC Orginal version: 10/6/98 by David Wong\nC 11/05/99 by David Wong\nC -- recode using F90 syntax\nC --------------------------------------------------------------------------\n\n function noop_isum_chk (var1, op, var2) result (noop_isum_chk_result)\n\n implicit none\n\n logical :: noop_isum_chk_result\n integer, intent(in) :: var1, var2\n character (len = 2), intent(in) :: op\n\n logical :: lnoop_isum_chk\n\n lnoop_isum_chk = .false.\n if (op .eq. 'EQ') then\n if (var1 .eq. var2) then\n lnoop_isum_chk = .true.\n end if\n else if (op .eq. 'GT') then\n if (var1 .gt. var2) then\n lnoop_isum_chk = .true.\n end if\n else if (op .eq. 'GE') then\n if (var1 .ge. var2) then\n lnoop_isum_chk = .true.\n end if\n else if (op .eq. 'LT') then\n if (var1 .lt. var2) then\n lnoop_isum_chk = .true.\n end if\n else \n if (var1 .le. var2) then\n lnoop_isum_chk = .true.\n end if\n end if\n\n noop_isum_chk_result = lnoop_isum_chk\n\n end function noop_isum_chk \n\nC -----------------------------------------------------------------------------\nC Purpose: \nC\nC to provide a no-op noop_rsum_ck.f counter part for serial code\nC\nC Revision history:\nC\nC Orginal version: 10/6/98 by David Wong\nC 11/05/99 by David Wong\nC -- recode using F90 syntax\nC --------------------------------------------------------------------------\n\n function noop_rsum_chk (var1, op, var2) result (noop_rsum_chk_result)\n\n implicit none\n\n logical :: noop_rsum_chk_result\n real, intent(in) :: var1, var2\n character (len = 2), intent(in) :: op\n\n logical :: lnoop_rsum_chk\n\n lnoop_rsum_chk = .false.\n if (op .eq. 'EQ') then\n if (var1 .eq. var2) then\n lnoop_rsum_chk = .true.\n end if\n else if (op .eq. 'GT') then\n if (var1 .gt. var2) then\n lnoop_rsum_chk = .true.\n end if\n else if (op .eq. 'GE') then\n if (var1 .ge. var2) then\n lnoop_rsum_chk = .true.\n end if\n else if (op .eq. 'LT') then\n if (var1 .lt. var2) then\n lnoop_rsum_chk = .true.\n end if\n else \n if (var1 .le. var2) then\n lnoop_rsum_chk = .true.\n end if\n end if\n\n noop_rsum_chk_result = lnoop_rsum_chk\n\n end function noop_rsum_chk \n\nC -----------------------------------------------------------------------------\nC Purpose: \nC\nC to provide a no-op noop_my_region.f counter part for serial code\nC\nC Revision history:\nC\nC Orginal version: 5/19/99 by David Wong\nC 11/05/99 by David Wong\nC -- recode using F90 syntax\nC -----------------------------------------------------------------------------\n\n function noop_my_region (x, y, wpe) \n & result (noop_my_region_result)\n\n implicit none\n\n integer, intent(in) :: x, y\n integer, intent(out) :: wpe\n logical :: noop_my_region_result\n\n noop_my_region_result = .true.\n wpe = 0\n\n end function noop_my_region \n\nC -----------------------------------------------------------------------------\nC Purpose:\nC\nC to provide a no-op counter part for serial code se_global_logical.f\nC\nC Revision history:\nC\nC Orginal version: 04/24/00 by David Wong\nC\nC Parameter List:\nC\nC InOut: var -- input variable\nC In : operator -- operator type\nC\nC -----------------------------------------------------------------------------\n\n subroutine noop_global_logical (var, operator)\n\n implicit none\n\n logical var\n character*3 operator\n\n return\n end subroutine noop_global_logical\n\nC -----------------------------------------------------------------------------\nC Purpose:\nC\nC to provide a no-op counter part for serial code se_in_syn\nC\nC Revision history:\nC\nC Orginal version: 12/04/01 by David Wong\nC\nC Parameter List:\nC\nC InOut: var -- input variable\nC In : pe -- PE number\nC\nC -----------------------------------------------------------------------------\n\n subroutine noop_in_syn (var, pe)\n\n implicit none\n\n logical, intent(inout) :: var\n integer, intent(in) :: pe\n\n return\n end subroutine noop_in_syn\n\n end module noop_util_module\n" }, { "path": "CCTM/src/STENEX/se/se_bndy_copy_info_ext.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/work/rep/STENEX/src/se_snl/se_bndy_copy_info_ext.f,v 1.1 2004/03/26 16:16:47 yoj Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC --------------------------------------------------------------------------\nC se_bngb_pe -- neighbouring PE in the boundary exchange communication \nC pattern\nC --------------------------------------------------------------------------\n\n module se_bndy_copy_info_ext\n\n integer :: se_bngb_pe(8)\n\n end module se_bndy_copy_info_ext\n" }, { "path": "CCTM/src/STENEX/se/se_bndy_copy_module.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/work/rep/STENEX/src/se_snl/se_bndy_copy_module.f,v 1.2 2006/02/15 14:41:56 yoj Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC use F90 interface feature to achieve \"faked\" polymorphism for pe boundary\nC exchange routine and use F90 module feature to modulize pe boundary exchange\nC functionality of the stencil exchange library. Shallow Water Model is the \nC target application.\nC\nC Note: \nC\nC Currently only 2-D case is implemented.\nC\nC Revision history:\nC\nC Orginal version: 11/28/01 by David Wong\nC Modified: 08/24/11 by David Wong\nC -- eliminated data and geo orientation\nC --------------------------------------------------------------------------\n\n module se_bndy_copy_module\n\n implicit none\n\n interface se_bndy_copy\n module procedure se_bndy_copy2\n end interface\n\n contains\n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC determine the set of boundary exchange \"neighbouring\" processor(s) that \nC my own processor needs to communicate with.\nC\nC Revision history:\nC\nC Orginal version: 11/28/01 by David Wong\nC 08/24/11 by David Wong\nC -- removed se_ori_ext to eliminate data and geo orientation\nC\nC Subroutine parameter description:\nC\nC In: dirstr -- indicator of communication direction\nC 0 (without communication), 1 (with communication)\nC\nC Out: send_to -- processor number which data needs to be sent to\nC recv_from -- processor number which data is recvd from\nC\nC Local variable description:\nC\nC rdirection -- input communication direction for receiveing\nC sdirection -- communication direction for sending\nC i, j -- loop indexes\nC k -- location indicator\nC --------------------------------------------------------------------------\n\n subroutine se_bndy_copy_pat (dirstr, send_to, recv_from)\n\n use se_bndy_copy_info_ext\n! use se_ori_ext\n use se_internal_util_module\n\n implicit none\n\n character (len = 16), intent(in) :: dirstr\n integer, intent(out) :: send_to (8), recv_from (8)\n\n integer :: i, j, k\n integer :: rdirection (8), sdirection(8)\n \nC -- extract inform from input strings\n\n read (dirstr, 10) (sdirection(i), i=1, 8)\n 10 format (8i2)\n\nC -- figuring out send direction pattern\n do i = 1, 8\n rdirection(i) = sdirection(mod(i+3,8)+1)\n end do\n\nC -- determine where data is receiving from\nC -- first: N, E, S, and W\n do i = 1, 7, 2\n if ((rdirection (i) .gt. 0) .and.\n & (se_bngb_pe(i) .ge. 0)) then\n recv_from(i) = se_bngb_pe(i)\n else\n recv_from(i) = -1\n end if\n end do\n\nC -- second: NE, SE, SW, NW, and their immediate neighbours\nC -- for instance, NE's immediate neighbours are N, and E\n do i = 2, 8, 2\n if (rdirection(i) .gt. 0) then\n do j = i-1, i+1\n k = j\n if (k .eq. 9) then\n k = 1\n end if \n if (se_bngb_pe(k) .ge. 0) then\n recv_from(k) = se_bngb_pe(k)\n else\n recv_from(k) = -1\n end if\n end do\n else\n recv_from(i) = -1\n end if\n end do\n\nC -- determine where data is sending to\nC -- first: N, E, S, and W\n do i = 1, 7, 2\n if ((sdirection (i) .gt. 0) .and.\n & (se_bngb_pe(i) .ge. 0)) then\n send_to(i) = se_bngb_pe(i)\n else\n send_to(i) = -1\n end if\n end do\n\nC -- second: NE, SE, SW, NW, and their immediate neighbours\nC -- for instance, NE's immediate neighbours are N, and E\n do i = 2, 8, 2\n if (sdirection(i) .gt. 0) then\n do j = i-1, i+1\n k = j\n if (k .eq. 9) then\n k = 1\n end if \n if (se_bngb_pe(k) .ge. 0) then\n send_to(k) = se_bngb_pe(k)\n else\n send_to(k) = -1\n end if\n end do\n else\n send_to(i) = -1\n end if\n end do\n\n return\n end subroutine se_bndy_copy_pat\n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC perform boundary exchange communication in the global scenario\nC\nC Example:\nC\nC Give a global data, A (10, 20)\nC\nC various exchange examples:\nC\nC -- copying data from A(1, 1:19) to A(10, 1:19)\nC -- copying data from (10,20) to A(1,1)\nC\nC Revision history:\nC\nC Orginal version: 11/28/01 by David Wong\nC 03/06/02 David Wong\nC -- use blocking communication scheme\nC -- use array copy mechanism when communicates to itself\nC 12/04/02 by David Wong\nC -- modified the routine to accommodate worker and\nC I/O processors partition scheme\nC\nC Subroutine parameter description:\nC\nC In: data -- original data\nC dispstr -- displacement string\nC dirstr -- indicator of communication direction\nC 0 (without communication), 1 (with communication)\nC str -- an optional argument to indicate the starting index of\nC certain dimension\nC\nC Out: data -- original data after communication\nC\nC Local variable description:\nC\nC send_to -- processor number which data needs to be sent to\nC send_to_ptr -- a F90 pointer (alias) of send_to\nC recv_from -- processor number which data is recvd from\nC recv_from_ptr -- a F90 pointer (alias) of recv_from\nC sdir, rdir -- loop indexes which indicate send to or recvd from\nC sind -- store low and high index of each dimension for sending\nC process\nC sind_ptr -- a F90 pointer (alias) of sind\nC rind -- store low and high index of each dimension for receiving\nC process\nC rind_ptr -- a F90 pointer (alias) of rind\nC shift -- an array to hold the amount of index shifting due to\nC starting index is 1 in a subroutine\nC num_shift -- number of shifting\nC loc_str -- a local copy of str\nC request -- MPI sending request status\nC status -- MPI waiting status\nC error -- MPI call return error code\nC --------------------------------------------------------------------------\n\n subroutine se_bndy_copy2 (data, dispstr, dirstr, str)\n\n use se_data_send_module\n use se_data_recv_module\n use se_internal_util_module\n use se_pe_info_ext\n\n implicit none\n\n include \"mpif.h\"\n\n real, intent(inout) :: data(:,:)\n character (len = 16), intent(in) :: dirstr\n character (len = 12), intent(in) :: dispstr\n character (len = *), optional, intent(in) :: str\n\n integer, target :: send_to(8), recv_from(8)\n integer, pointer :: send_to_ptr(:), recv_from_ptr(:)\n integer, target :: sind(2,2,8), rind(2,2,8)\n integer, pointer :: sind_ptr(:,:,:), rind_ptr(:,:,:)\n integer :: sdir, rdir\n integer :: shift(4), num_shift\n character (len = 80) :: loc_str\n integer :: request, status(MPI_STATUS_SIZE), error\n\n if (present(str)) then\n loc_str = str\n shift(2:4:2) = 1\n call se_string_to_integer (loc_str, shift, num_shift)\n else\n num_shift = 0\n end if\n\n call se_bndy_copy_pat (dirstr, send_to, recv_from)\n\n call se_bndy_up_low2 (dispstr, sind, rind, shift, num_shift)\n\n send_to_ptr => send_to\n recv_from_ptr => recv_from\n sind_ptr => sind\n rind_ptr => rind\n\n do sdir = 1, 8\n\n rdir = mod((sdir + 3), 8) + 1\n\n if (send_to(sdir) .eq. se_myworker_pe) then\n\n data(rind(1,1,rdir):rind(2,1,rdir),\n $ rind(1,2,rdir):rind(2,2,rdir))\n $ =\n $ data(sind(1,1,sdir):sind(2,1,sdir),\n $ sind(1,2,sdir):sind(2,2,sdir))\n\n else\n\n if (send_to(sdir) .ge. 0) then\n call se_data_send (data, sind_ptr, send_to_ptr, sdir, sdir,\n $ request)\n end if\n\n if ((recv_from(rdir) .ge. 0) .and.\n $ (recv_from(rdir) .ne. se_myworker_pe)) then\n call se_data_recv (data, rind_ptr, recv_from_ptr, rdir, sdir)\n end if\n\nc if (send_to(sdir) .ge. 0) then\nc call mpi_wait (request, status, error)\nc end if\n\n end if\n end do\n\n return\n end subroutine se_bndy_copy2\n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC initialize variables sind and rind\nC\nC Revision history:\nC\nC Orginal version: 11/27/01 by David Wong\nC 08/24/11 by David Wong\nC -- removed se_ori_ext to eliminate data and geo orientation\nC\nC Subroutine parameter description:\nC\nC In: dispstr -- displacement string\nC shift -- an array to hold the amount of index shifting due to\nC starting index is 1 in a subroutine\nC num_shift -- number of shifting\nC\nC Out: sind -- store low and high index of each dimension for sending\nC process\nC rind -- store low and high index of each dimension for receiving\nC process\nC\nC Local variable description:\nC\nC ndis -- North displacement\nC edis -- East displacement\nC sdis -- South displacement\nC wdis -- West displacement\nC i -- loop index\nC loc_shift -- local adjustment of dummy argument shift\nC --------------------------------------------------------------------------\n\n subroutine se_bndy_up_low2 (dispstr, sind, rind, shift, num_shift)\n\n use se_domain_info_ext\n! use se_ori_ext\n use se_internal_util_module\n\n implicit none\n\n integer, intent(inout) :: sind(2,2,8), rind(2,2,8)\n character (len = 12), intent(in) :: dispstr\n integer, intent(in) :: shift(4), num_shift\n\n integer :: ndis, edis, sdis, wdis, loc_shift(2), i\n\n if (num_shift .gt. 0) then\n! if ((se_data_ori .eq. \"cr\") .or. (se_data_ori .eq. \"CR\")) then\n if (shift(1) .eq. 1) then\n loc_shift(1) = 1 - shift(4)\n loc_shift(2) = 1 - shift(2)\n else\n loc_shift(1) = 1 - shift(2)\n loc_shift(2) = 1 - shift(4)\n end if\n! else\n! if (shift(1) .eq. 1) then\n! loc_shift(1) = 1 - shift(2)\n! loc_shift(2) = 1 - shift(4)\n! else\n! loc_shift(1) = 1 - shift(4)\n! loc_shift(2) = 1 - shift(2)\n! end if\n! end if\n else\n loc_shift(1) = 0\n loc_shift(2) = 0\n end if\n\n! if (se_geo_ori .eq. 0) then\n read (dispstr, *) sdis, edis, ndis, wdis\n! else\n! read (dispstr, *) ndis, edis, sdis, wdis\n! end if\n\nC -- ( sending ) determine ghost cells indexes configuration \n call store2 (sind, 1, se_my_nrows-sdis+1+loc_shift(1),\n & se_my_nrows+loc_shift(1), 1+loc_shift(2),\n & se_my_ncols+loc_shift(2))\n call store2 (sind, 2, se_my_nrows-sdis+1+loc_shift(1),\n & se_my_nrows+loc_shift(1), 1+loc_shift(2), \n & wdis+loc_shift(2))\n call store2 (sind, 3, 1+loc_shift(1), se_my_nrows+loc_shift(1),\n & 1+loc_shift(2), wdis+loc_shift(2))\n call store2 (sind, 4, 1+loc_shift(1), ndis+loc_shift(1),\n & 1+loc_shift(2), wdis+loc_shift(2))\n call store2 (sind, 5, 1+loc_shift(1), ndis+loc_shift(1),\n & 1+loc_shift(2), se_my_ncols+loc_shift(2))\n call store2 (sind, 6, 1+loc_shift(1), ndis+loc_shift(1),\n & se_my_ncols-edis+1+loc_shift(2), se_my_ncols+loc_shift(2))\n call store2 (sind, 7, 1+loc_shift(1), se_my_nrows+loc_shift(1),\n & se_my_ncols-edis+1+loc_shift(2), se_my_ncols+loc_shift(2))\n call store2 (sind, 8, se_my_nrows-sdis+1+loc_shift(1),\n & se_my_nrows+loc_shift(1), se_my_ncols-edis+1+loc_shift(2),\n & se_my_ncols+loc_shift(2))\n\nC -- ( receiving ) determine ghost cells indexes configuration \n call store2 (rind, 5, 1+loc_shift(1), sdis+loc_shift(1),\n & 1+loc_shift(2), se_my_ncols+loc_shift(2))\n\n call store2 (rind, 6, 1+loc_shift(1), sdis+loc_shift(1),\n & se_my_ncols-wdis+1+loc_shift(2), se_my_ncols+loc_shift(2))\n\n call store2 (rind, 7, 1+loc_shift(1), se_my_nrows+loc_shift(1),\n & se_my_ncols-wdis+1+loc_shift(2), se_my_ncols+loc_shift(2))\n\n call store2 (rind, 8, se_my_nrows-ndis+1+loc_shift(1), \n & se_my_nrows+loc_shift(1), \n & se_my_ncols-wdis+1+loc_shift(2), se_my_ncols+loc_shift(2))\n\n call store2 (rind, 1, se_my_nrows-ndis+1+loc_shift(1), \n & se_my_nrows+loc_shift(1), 1+loc_shift(2),\n & se_my_ncols+loc_shift(2))\n\n call store2 (rind, 2, se_my_nrows-ndis+1+loc_shift(1), \n & se_my_nrows+loc_shift(1), 1+loc_shift(2), \n & edis+loc_shift(2))\n\n call store2 (rind, 3, 1+loc_shift(1), se_my_nrows+loc_shift(1),\n & 1+loc_shift(2), edis+loc_shift(2))\n\n call store2 (rind, 4, 1+loc_shift(1), sdis+loc_shift(1),\n & 1+loc_shift(2), edis+loc_shift(2))\n\n! if ((se_data_ori .eq. \"cr\") .or. (se_data_ori .eq. \"CR\")) then\n do i = 1, 8\n call swap (sind(1,1,i), sind(1,2,i))\n call swap (sind(2,1,i), sind(2,2,i))\n call swap (rind(1,1,i), rind(1,2,i))\n call swap (rind(2,1,i), rind(2,2,i))\n end do\n! end if\n\n return\n end subroutine se_bndy_up_low2\n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC to store low and high array indexes (same as in se_comm_module.f)\nC\nC Revision history:\nC\nC Orginal version: 7/28/98 by David Wong\nC\nC Subroutine parameter description:\nC\nC In: direction -- communication direction\nC i1 -- low index of I dimension\nC i2 -- high index of I dimension\nC j1 -- low index of J dimension\nC j2 -- high index of J dimension\nC\nC Out: array -- array with low and high indexes of each dimension\nC --------------------------------------------------------------------------\n\n subroutine store2 (array, direction, i1, i2, j1, j2)\n\n integer, intent(out) :: array (2,2,8) \n integer, intent(in) :: direction, i1, i2, j1, j2\n\n array(1,1,direction) = i1\n array(2,1,direction) = i2\n array(1,2,direction) = j1\n array(2,2,direction) = j2\n\n return\n end subroutine store2\n\n end module se_bndy_copy_module\n" }, { "path": "CCTM/src/STENEX/se/se_comm_info_ext.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/work/rep/STENEX/src/se_snl/se_comm_info_ext.f,v 1.1 2004/03/26 16:16:47 yoj Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC --------------------------------------------------------------------------\nC Note: all these variables with prefix se_ are for stencil exchange library\nC only\nC\nC to define communication info variables:\nC \nC se_ngb_pe -- an array to indicate a communication with a certain \nC processor is required base upon near-neighbour \nC communication pattern: -1 denotes no communication is \nC needed, and a non -1 number denotes processor number with \nC which communication is formed\nC se_numdim -- dimensionality of a data structure which requires \nC communication\nC se_decompstr -- indicator of which dimenion(s) of data is/are decomposed, \nC 0 (not decomposed), 1 (decomposed)\nC --------------------------------------------------------------------------\n\n module se_comm_info_ext\n\n integer :: se_ngb_pe(8)\n integer :: se_numdim\n character (len=10) :: se_decompstr\n\n integer :: se_twoway_npcol, se_twoway_nprow\n\n end module se_comm_info_ext\n" }, { "path": "CCTM/src/STENEX/se/se_comm_module.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n! RCS file, release, date & time of last delta, author, state, [and locker]\n! $Header: /project/work/rep/STENEX/src/se_snl/se_comm_module.f,v 1.1 2004/03/26 16:16:47 yoj Exp $\n\n! what(1) key, module and SID; SCCS file; date and time of last delta:\n! %W% %P% %G% %U%\n\n! --------------------------------------------------------------------------\n! Purpose:\n!\n! use F90 interface feature to achieve \"faked\" polymorphism for pe \n! communication routine and use F90 module feature to modulize pe communication\n! functionality of the stencil exchange library\n!\n! Revision history:\n!\n! Orginal version: 11/05/99 by David Wong\n! Modified: 08/24/11 by David Wong\n! -- elminated data and geo orientation\n! Modified: 10/04/12 by David Wong\n! -- extended to five dimensional array and made the third,\n! and fourth dimension more flexible and only limited to\n! layer and species\n! Modified: 11/01/18 by David Wong\n! -- remove TAB character\n! --------------------------------------------------------------------------\n\n module se_comm_module\n\n implicit none\n\n interface se_comm\n module procedure se_pe_comm1, \n & se_pe_comm2, se_pe_comm2e, \n & se_pe_comm3, se_pe_comm3e, se_pe_comm3s,\n & se_pe_comm4,\n & se_pe_comm5\n end interface\n\n contains\n\n! -----------------------------------------------------------------------------\n! Purpose:\n!\n! determine the set of neighbouring processor(s) that my own processor needs \n! to communicate with, base upon the input data dependency.\n!\n! Revision history:\n!\n! Orginal version: 7/29/98 by David Wong \n!\n! 11/05/99 by David Wong\n! -- recode the code using F90 syntax\n! 02/06/02 by David Wong\n! -- adjust the communication direction if it is NE, SE,\n! SW, or NW\n! 08/24/11 by David Wong\n! -- removed se_ori_ext to eliminate data and geo orientation\n!\n! Subroutine parameter description:\n!\n! In: dirstr -- indicator of communication direction associated with\n! the data dependency: 0 (without communication), \n! 1 (with communication)\n! send_to -- processor number which data needs to be sent to\n! recv_from -- processor number which data is received from\n!\n! Local variable description:\n!\n! rdirection -- input communication direction for receiveing\n! sdirection -- communication direction for sending\n! i, j, k -- loop indexes\n!\n! Include file:\n!\n! se_comm_info_ext\n!\n! se_ngb_pe -- an array to indicate a communication with a certain \n! processor is required base upon near-neighbour communication \n! pattern: -1 denotes no communication is needed, and a non \n! -1 number denotes processor number with which communication \n! is formed\n!\n! se_ori_ext\n! se_internal_util_module\n! -----------------------------------------------------------------------------\n\n subroutine se_comm_pat (dirstr, send_to, recv_from)\n\n use se_comm_info_ext\n! use se_ori_ext\n use se_internal_util_module\n\n implicit none\n\n character (len = 16), intent(in) :: dirstr\n integer, intent(out) :: send_to (8), recv_from (8)\n\n integer :: i, j, k\n integer :: rdirection (8), sdirection(8)\n\n! -- extract inform from input strings\n\n read (dirstr, 10) (rdirection(i), i=1, 8)\n 10 format (8i2)\n\n! -- make adjustment if communication direction is: NE, SE, SW, or NW\n\n do i = 2, 8, 2\n if (rdirection(i) .eq. 1) then\n rdirection(mod(i-1,8)) = 1\n rdirection(mod(i+1,8)) = 1\n end if\n end do\n\n! if (se_geo_ori .eq. 0) then\n call swap (rdirection(1), rdirection(5))\n call swap (rdirection(2), rdirection(4))\n call swap (rdirection(8), rdirection(6))\n! end if\n\n! -- figuring out send direction pattern\n do i = 1, 8\n sdirection(i) = rdirection(mod(i+3,8)+1)\n end do\n\n! -- determine where data is receiving from\n! -- first: N, E, S, and W\n do i = 1, 7, 2\n if ((rdirection (i) .gt. 0) .and.\n & (se_ngb_pe(i) .ge. 0)) then\n recv_from(i) = se_ngb_pe(i)\n else\n recv_from(i) = -1\n end if\n end do\n\n! -- second: NE, SE, SW, NW, and their immediate neighbours\n! -- for instance, NE's immediate neighbours are N, and E\n do i = 2, 8, 2\n if (rdirection(i) .gt. 0) then\n do j = i-1, i+1\n k = j\n if (k .eq. 9) then\n k = 1\n end if \n if (se_ngb_pe(k) .ge. 0) then\n recv_from(k) = se_ngb_pe(k)\n else\n recv_from(k) = -1\n end if\n end do\n else\n recv_from(i) = -1\n end if\n end do\n\n! -- determine where data is sending to\n! -- first: N, E, S, and W\n do i = 1, 7, 2\n if ((sdirection (i) .gt. 0) .and.\n & (se_ngb_pe(i) .ge. 0)) then\n send_to(i) = se_ngb_pe(i)\n else\n send_to(i) = -1\n end if\n end do\n\n! -- second: NE, SE, SW, NW, and their immediate neighbours\n! -- for instance, NE's immediate neighbours are N, and E\n do i = 2, 8, 2\n if (sdirection(i) .gt. 0) then\n do j = i-1, i+1\n k = j\n if (k .eq. 9) then\n k = 1\n end if \n if (se_ngb_pe(k) .ge. 0) then\n send_to(k) = se_ngb_pe(k)\n else\n send_to(k) = -1\n end if\n end do\n else\n send_to(i) = -1\n end if\n end do\n\n return\n end subroutine se_comm_pat\n\n! --------------------------------------------------------------------------\n! Purpose:\n!\n! program se_pe_comm[n][e] performs near-neighbour communication for a \n! n-dimensional data structure\n!\n! Revision history:\n!\n! Orginal version: 9/15/98 by David Wong\n! 11/05/99 by David Wong\n! -- recode the code using F90 syntax\n! 07/23/01 by David Wong\n! -- redesign the message sending and receiving algorithm\n! 03/06/02 David Wong\n! -- use blocking communication scheme\n! -- use array copy mechanism when communicates to itself\n!\n! Subroutine parameter description:\n!\n! In: data -- original data\n! dispstr -- displacement string\n! dirstr -- indicator of communication direction\n! 0 (without communication), 1 (with communication)\n! str -- an optional argument to indicate the starting index of \n! certain dimension\n! flag -- to indicate se_pe_comm[n]e is used\n!\n! Out: data -- original data after communication\n!\n! Local variable description:\n!\n! send_to -- processor number which data needs to be sent to\n! send_to_ptr -- a F90 pointer (alias) of send_to\n! recv_from -- processor number which data is recvd from\n! recv_from_ptr -- a F90 pointer (alias) of recv_from\n! sdir, rdir -- loop indexes which indicate send to or recvd from\n! sind -- store low and high index of each dimension for sending\n! process\n! sind_ptr -- a F90 pointer (alias) of sind\n! rind -- store low and high index of each dimension for receiving\n! process\n! rind_ptr -- a F90 pointer (alias) of rind\n! shift -- an array to hold the amount of index shifting due to\n! starting index is 1 in a subroutine\n! num_shift -- number of shifting\n! loc_str -- a local copy of str\n!\n! Include file:\n!\n! se_data_send_module\n! se_data_recv_module\n! se_internal_util_module\n!\n! Subroutine/Function call:\n!\n! se_comm_pat\n! se_up_low[1]\n!\n! --------------------------------------------------------------------------\n\n subroutine se_pe_comm1 (data, dispstr, dirstr, str)\n\n use se_data_send_module\n use se_data_recv_module\n use se_internal_util_module\n use se_pe_info_ext\n\n implicit none\n\n include \"mpif.h\"\n\n real, intent(inout) :: data(:)\n character (len = 16), intent(in) :: dirstr\n character (len = 12), intent(in) :: dispstr\n character (len = *), optional, intent(in) :: str\n\n integer, target :: sind(2,8), rind(2,8)\n integer, pointer :: sind_ptr(:,:), rind_ptr(:,:)\n integer, target :: send_to(8), recv_from(8)\n integer, pointer :: send_to_ptr(:), recv_from_ptr(:)\n integer :: sdir, rdir\n integer :: shift(2), num_shift\n character (len = 80) :: loc_str\n integer :: request, status(MPI_STATUS_SIZE), error\n\n if (present(str)) then\n loc_str = str\n call se_string_to_integer (loc_str, shift, num_shift)\n else\n num_shift = 0\n end if\n\n call se_comm_pat (dirstr, send_to, recv_from)\n\n call se_up_low1 (dispstr, sind, rind, shift, num_shift)\n\n send_to_ptr => send_to\n recv_from_ptr => recv_from\n sind_ptr => sind\n rind_ptr => rind\n\n do sdir = 1, 8, 2\n\n rdir = mod((sdir + 3), 8) + 1\n\n if (send_to(sdir) .eq. se_my_pe) then\n\n data(rind(1,rdir):rind(2,rdir)) = data(sind(1,sdir):sind(2,sdir))\n\n else \n\n if (send_to(sdir) .ge. 0) then\n call se_data_send (data, sind_ptr, send_to_ptr, sdir, sdir, \n $ request)\n end if\n\n if ((recv_from(rdir) .ge. 0) .and. \n $ (recv_from(rdir) .ne. se_my_pe)) then\n call se_data_recv (data, rind_ptr, recv_from_ptr, rdir, sdir)\n end if\n\n! if (send_to(sdir) .ge. 0) then\n! call mpi_wait (request, status, error)\n! end if\n\n end if\n end do\n\n return\n end subroutine se_pe_comm1\n\n! --------------------------------------------------------------------------\n! Purpose:\n!\n! perform near-neighbour communication for a 2-D data structure with 2-D\n! decomposition (se_pe_comm2) or 1-D decomposition (se_pe_comm2e)\n!\n! Revision history:\n!\n! Orginal version: 8/3/98 by David Wong\n! 11/05/99 by David Wong\n! -- recode the code using F90 syntax\n! 07/23/01 by David Wong\n! -- redesign the message sending and receiving algorithm\n! 03/06/02 David Wong\n! -- use blocking communication scheme\n! -- use array copy mechanism when communicates to itself\n!\n! Subroutine parameter description:\n!\n! In: data -- original data\n! dispstr -- displacement string\n! dirstr -- indicator of communication direction\n! 0 (without communication), 1 (with communication)\n! flag -- to indicate se_pe_comm2e is used\n! str -- an optional argument to indicate the starting index of\n! certain dimension\n!\n! Out: data -- original data after communication\n!\n! Local variable description:\n!\n! send_to -- processor number which data needs to be sent to\n! send_to_ptr -- a F90 pointer (alias) of send_to\n! recv_from -- processor number which data is recvd from\n! recv_from_ptr -- a F90 pointer (alias) of recv_from\n! sdir, rdir -- loop indexes which indicate send to or recvd from\n! sind -- store low and high index of each dimension for sending\n! process\n! sind_ptr -- a F90 pointer (alias) of sind\n! rind -- store low and high index of each dimension for receiving\n! process\n! rind_ptr -- a F90 pointer (alias) of rind\n! shift -- an array to hold the amount of index shifting due to\n! starting index is 1 in a subroutine\n! num_shift -- number of shifting\n! loc_str -- a local copy of str\n!\n! Include file:\n!\n! se_data_send_module\n! se_data_recv_module\n!\n! Subroutine/Function call:\n!\n! se_comm_pat \n! se_up_low2 \n!\n! --------------------------------------------------------------------------\n\n subroutine se_pe_comm2 (data, dispstr, dirstr, str)\n\n use se_data_send_module\n use se_data_recv_module\n use se_internal_util_module\n use se_pe_info_ext\n\n implicit none\n\n include \"mpif.h\"\n\n real, intent(inout) :: data(:,:)\n character (len = 16), intent(in) :: dirstr\n character (len = 12), intent(in) :: dispstr\n character (len = *), optional, intent(in) :: str\n\n integer, target :: send_to(8), recv_from(8)\n integer, pointer :: send_to_ptr(:), recv_from_ptr(:)\n integer, target :: sind(2,2,8), rind(2,2,8)\n integer, pointer :: sind_ptr(:,:,:), rind_ptr(:,:,:)\n integer :: sdir, rdir\n integer :: shift(4), num_shift\n character (len = 80) :: loc_str\n integer :: request, status(MPI_STATUS_SIZE), error\n\n if (present(str)) then\n loc_str = str\n shift(2:4:2) = 1\n call se_string_to_integer (loc_str, shift, num_shift)\n else\n num_shift = 0\n end if\n\n call se_comm_pat (dirstr, send_to, recv_from)\n\n send_to_ptr => send_to\n recv_from_ptr => recv_from\n\n call se_up_low2 (dispstr, sind, rind, shift, num_shift)\n\n sind_ptr => sind\n rind_ptr => rind\n\n do sdir = 1, 8\n\n rdir = mod((sdir + 3), 8) + 1\n\n if (send_to(sdir) .eq. se_my_pe) then\n\n data(rind(1,1,rdir):rind(2,1,rdir),rind(1,2,rdir):rind(2,2,rdir))\n $ =\n $ data(sind(1,1,sdir):sind(2,1,sdir),sind(1,2,sdir):sind(2,2,sdir))\n\n else\n\n if (send_to(sdir) .ge. 0) then\n call se_data_send (data, sind_ptr, send_to_ptr, sdir, sdir, \n $ request)\n end if\n\n if ((recv_from(rdir) .ge. 0) .and.\n $ (recv_from(rdir) .ne. se_my_pe)) then\n call se_data_recv (data, rind_ptr, recv_from_ptr, rdir, sdir)\n end if\n\n! if (send_to(sdir) .ge. 0) then\n! call mpi_wait (request, status, error)\n! end if\n\n end if\n\n end do\n\n return\n end subroutine se_pe_comm2\n\n! -----------------------------------------------------------------------------\n subroutine se_pe_comm2e (data, dispstr, dirstr, flag, str)\n\n use se_data_send_module\n use se_data_recv_module\n use se_internal_util_module\n use se_pe_info_ext\n\n implicit none\n\n include \"mpif.h\"\n\n real, intent(inout) :: data(:,:)\n character (len = 16), intent(in) :: dirstr\n character (len = 12), intent(in) :: dispstr\n integer, intent(in) :: flag\n character (len = *), optional, intent(in) :: str\n\n integer, target :: send_to(8), recv_from(8)\n integer, pointer :: send_to_ptr(:), recv_from_ptr(:)\n integer, target :: sind(2,8), rind(2,8)\n integer, pointer :: sind_ptr(:,:), rind_ptr(:,:)\n integer :: sdir, rdir\n integer :: shift(4), num_shift\n character (len = 80) :: loc_str\n integer :: request, status(MPI_STATUS_SIZE), error\n\n if (present(str)) then\n loc_str = str\n shift(2:4:2) = 1\n call se_string_to_integer (loc_str, shift, num_shift)\n else\n num_shift = 0\n end if\n\n call se_comm_pat (dirstr, send_to, recv_from)\n\n send_to_ptr => send_to\n recv_from_ptr => recv_from\n\n call se_up_low1 (dispstr, sind, rind, shift, num_shift)\n\n sind_ptr => sind\n rind_ptr => rind\n\n do sdir = 1, 8, 2\n\n rdir = mod((sdir + 3), 8) + 1\n\n if (send_to(sdir) .eq. se_my_pe) then\n\n data(rind(1,rdir):rind(2,rdir),:) \n $ =\n $ data(sind(1,sdir):sind(2,sdir),:)\n\n else\n\n if (send_to(sdir) .ge. 0) then\n call se_data_send (data, sind_ptr, send_to_ptr, sdir, sdir,\n $ request)\n end if\n\n if ((recv_from(rdir) .ge. 0) .and.\n $ (recv_from(rdir) .ne. se_my_pe)) then\n call se_data_recv (data, rind_ptr, recv_from_ptr, rdir, sdir)\n end if\n\n! if (send_to(sdir) .ge. 0) then\n! call mpi_wait (request, status, error)\n! end if\n\n end if\n end do\n\n return\n end subroutine se_pe_comm2e\n\n! --------------------------------------------------------------------------\n! Purpose:\n!\n! perform near-neighbour communication for a 3-D data structure with 2-D\n! decomposition (se_pe_comm3) or 1-D decomposition (se_pe_comm3e)\n!\n! Revision history:\n!\n! Orginal version: 7/29/98 by David Wong \n! 11/05/99 by David Wong\n! -- recode the code using F90 syntax\n! 07/23/01 by David Wong\n! -- redesign the message sending and receiving algorithm\n! 03/06/02 David Wong\n! -- use blocking communication scheme\n! -- use array copy mechanism when communicates to itself\n!\n! Subroutine parameter description:\n!\n! In: data -- original data\n! dispstr -- displacement string\n! dirstr -- indicator of communication direction\n! 0 (without communication), 1 (with communication)\n! flag -- to indicate se_pe_comm2e is used\n! str -- an optional argument to indicate the starting index of\n! certain dimension\n!\n! Out: data -- original data after communication\n!\n! Local variable description:\n!\n! send_to -- processor number which data needs to be sent to\n! send_to_ptr -- a F90 pointer (alias) of send_to\n! recv_from -- processor number which data is recvd from\n! recv_from_ptr -- a F90 pointer (alias) of recv_from\n! sdir, rdir -- loop indexes which indicate send to or recvd from\n! rdirection -- input communication direction for receiveing\n! sdirection -- communication direction for sending\n! ldecomp -- domain decomposition indicator\n! sind -- store low and high index of each dimension for sending\n! process\n! sind_ptr -- a F90 pointer (alias) of sind\n! rind -- store low and high index of each dimension for receiving\n! process\n! rind_ptr -- a F90 pointer (alias) of rind\n! shift -- an array to hold the amount of index shifting due to\n! starting index is 1 in a subroutine\n! num_shift -- number of shifting\n! loc_str -- a local copy of str\n!\n! Include file:\n!\n! se_data_send_module\n! se_data_recv_module\n!\n! Subroutine/Function call:\n!\n! se_comm_pat\n! se_up_low3\n!\n! --------------------------------------------------------------------------\n\n subroutine se_pe_comm3 (data, dispstr, dirstr, str)\n\n use se_data_send_module\n use se_data_recv_module\n use se_internal_util_module\n use se_pe_info_ext\n\n implicit none\n\n include \"mpif.h\"\n\n real, intent(inout) :: data(:,:,:)\n character (len = 16), intent(in) :: dirstr\n character (len = 12), intent(in) :: dispstr\n character (len = *), optional, intent(in) :: str\n\n integer, target :: send_to(8), recv_from(8)\n integer, pointer :: send_to_ptr(:), recv_from_ptr(:)\n integer, target :: sind(2,3,8), rind(2,3,8)\n integer, pointer :: sind_ptr(:,:,:), rind_ptr(:,:,:)\n integer :: sdir, rdir\n integer :: shift(6), num_shift\n character (len = 80) :: loc_str\n integer :: request, status(MPI_STATUS_SIZE), error\n\n if (present(str)) then\n loc_str = str\n shift(2:6:2) = 1\n call se_string_to_integer (loc_str, shift, num_shift)\n else\n num_shift = 0\n end if\n\n call se_comm_pat (dirstr, send_to, recv_from)\n\n send_to_ptr => send_to\n recv_from_ptr => recv_from\n\n call se_up_low3 (dispstr, sind, rind, shift, num_shift, size(data,3))\n\n sind_ptr => sind\n rind_ptr => rind\n\n do sdir = 1, 8\n\n rdir = mod((sdir + 3), 8) + 1\n\n if (send_to(sdir) .eq. se_my_pe) then\n\n data(rind(1,1,rdir):rind(2,1,rdir),\n $ rind(1,2,rdir):rind(2,2,rdir),\n $ rind(1,3,rdir):rind(2,3,rdir))\n $ =\n $ data(sind(1,1,sdir):sind(2,1,sdir),\n $ sind(1,2,sdir):sind(2,2,sdir),\n $ sind(1,3,sdir):sind(2,3,sdir))\n\n else\n\n if (send_to(sdir) .ge. 0) then\n call se_data_send (data, sind_ptr, send_to_ptr, sdir, sdir,\n $ request)\n end if\n\n if ((recv_from(rdir) .ge. 0) .and.\n $ (recv_from(rdir) .ne. se_my_pe)) then\n call se_data_recv (data, rind_ptr, recv_from_ptr, rdir, sdir)\n end if\n\n! if (send_to(sdir) .ge. 0) then\n! call mpi_wait (request, status, error)\n! end if\n\n end if\n end do\n \n return\n end subroutine se_pe_comm3\n\n! --------------------------------------------------------------------------\n subroutine se_pe_comm3e (data, dispstr, dirstr, flag, str)\n\n use se_data_send_module\n use se_data_recv_module\n use se_internal_util_module\n use se_pe_info_ext\n\n implicit none\n\n include \"mpif.h\"\n\n real, intent(inout) :: data(:,:,:)\n character (len = 16), intent(in) :: dirstr\n character (len = 12), intent(in) :: dispstr\n integer, intent(in) :: flag\n character (len = *), optional, intent(in) :: str\n\n integer, target :: send_to(8), recv_from(8)\n integer, pointer :: send_to_ptr(:), recv_from_ptr(:)\n integer, target :: sind(2,8), rind(2,8)\n integer, pointer :: sind_ptr(:,:), rind_ptr(:,:)\n integer :: sdir, rdir\n integer :: shift(6), num_shift\n character (len = 80) :: loc_str\n integer :: request, status(MPI_STATUS_SIZE), error\n\n if (present(str)) then\n loc_str = str\n shift(2:6:2) = 1\n call se_string_to_integer (loc_str, shift, num_shift)\n else\n num_shift = 0\n end if\n\n call se_comm_pat (dirstr, send_to, recv_from)\n\n send_to_ptr => send_to\n recv_from_ptr => recv_from\n\n call se_up_low1 (dispstr, sind, rind, shift, num_shift)\n\n sind_ptr => sind\n rind_ptr => rind\n\n do sdir = 1, 8, 2\n\n rdir = mod((sdir + 3), 8) + 1\n\n if (send_to(sdir) .eq. se_my_pe) then\n\n data(rind(1,rdir):rind(2,rdir),:,:)\n $ =\n $ data(sind(1,sdir):sind(2,sdir),:,:)\n\n else\n if (send_to(sdir) .ge. 0) then\n call se_data_send (data, sind_ptr, send_to_ptr, sdir, sdir,\n $ request)\n end if\n\n if ((recv_from(rdir) .ge. 0) .and.\n $ (recv_from(rdir) .ne. se_my_pe)) then\n call se_data_recv (data, rind_ptr, recv_from_ptr, rdir, sdir)\n end if\n\n! if (send_to(sdir) .ge. 0) then\n! call mpi_wait (request, status, error)\n! end if\n\n end if\n end do\n \n return\n end subroutine se_pe_comm3e\n\n! --------------------------------------------------------------------------\n! Purpose:\n!\n! perform near-neighbour communication for transfer data between two 3-D arrays\n!\n! Revision history:\n!\n! Orginal version: 10/29/17 by David Wong\n!\n! Subroutine parameter description:\n!\n! In: sdata -- input data\n! dispstr -- displacement string\n! dirstr -- indicator of communication direction\n! 0 (without communication), 1 (with communication)\n! str -- an optional argument to indicate the starting index of\n! certain dimension\n!\n! Out: ddata -- output data after communication\n!\n! Local variable description:\n!\n! send_to -- processor number which data needs to be sent to\n! send_to_ptr -- a F90 pointer (alias) of send_to\n! recv_from -- processor number which data is recvd from\n! recv_from_ptr -- a F90 pointer (alias) of recv_from\n! sdir, rdir -- loop indexes which indicate send to or recvd from\n! sind -- store low and high index of each dimension for sending\n! process\n! sind_ptr -- a F90 pointer (alias) of sind\n! rind -- store low and high index of each dimension for receiving\n! process\n! rind_ptr -- a F90 pointer (alias) of rind\n! shift -- an array to hold the amount of index shifting due to\n! starting index is 1 in a subroutine\n! num_shift -- number of shifting\n! loc_str -- a local copy of str\n!\n! Include file:\n!\n! se_data_send_module\n! se_data_recv_module\n!\n! Subroutine/Function call:\n!\n! se_comm_pat\n! se_up_low3\n!\n! --------------------------------------------------------------------------\n subroutine se_pe_comm3s (sdata, ddata, dispstr, dirstr, str)\n\n use se_data_send_module\n use se_data_recv_module\n use se_internal_util_module\n use se_pe_info_ext\n\n implicit none\n\n include \"mpif.h\"\n\n real, intent(in) :: sdata(:,:,:)\n real, intent(out) :: ddata(:,:,:)\n character (len = 16), intent(in) :: dirstr\n character (len = 12), intent(in) :: dispstr\n character (len = *), optional, intent(in) :: str\n\n integer, target :: send_to(8), recv_from(8)\n integer, pointer :: send_to_ptr(:), recv_from_ptr(:)\n integer, target :: sind(2,8), rind(2,8)\n integer, pointer :: sind_ptr(:,:), rind_ptr(:,:)\n integer :: sdir, rdir\n integer :: shift(6), num_shift\n character (len = 80) :: loc_str\n integer :: request, status(MPI_STATUS_SIZE), error, dsize\n\n if (present(str)) then\n loc_str = str\n shift(2:6:2) = 1\n call se_string_to_integer (loc_str, shift, num_shift)\n else\n num_shift = 0\n end if\n\n call se_comm_pat (dirstr, send_to, recv_from)\n\n send_to_ptr => send_to\n recv_from_ptr => recv_from\n\n call se_up_low1 (dispstr, sind, rind, shift, num_shift)\n\n sind_ptr => sind\n rind_ptr => rind\n\n dsize = size(sdata)\n\n do sdir = 1, 8, 2\n\n rdir = mod((sdir + 3), 8) + 1\n\n if (send_to(sdir) .eq. se_my_pe) then\n\n ddata = sdata\n\n else\n if (send_to(sdir) .ge. 0) then\n call mpi_send (sdata, dsize, mpi_real, send_to_ptr(sdir), \n $ sdir, se_worker_comm, error)\n end if\n\n if ((recv_from(rdir) .ge. 0) .and.\n $ (recv_from(rdir) .ne. se_my_pe)) then\n call mpi_recv (ddata, dsize, mpi_real, recv_from_ptr(rdir), sdir,\n & se_worker_comm, status, error)\n end if\n\n! if (send_to(sdir) .ge. 0) then\n! call mpi_wait (request, status, error)\n! end if\n\n end if\n end do\n \n end subroutine se_pe_comm3s\n\n! --------------------------------------------------------------------------\n! Purpose:\n!\n! perform near-neighbour communication for a 4-D data structure with 2-D\n! decomposition \n!\n! Revision history:\n!\n! Orginal version: 7/31/98 by David Wong\n! 11/05/99 by David Wong\n! -- recode the code using F90 syntax\n! 07/23/01 by David Wong\n! -- redesign the message sending and receiving algorithm\n! 03/06/02 David Wong\n! -- use blocking communication scheme\n! -- use array copy mechanism when communicates to itself\n!\n! Subroutine parameter description:\n!\n! In: data -- original data\n! dispstr -- displacement string\n! dirstr -- indicator of communication direction\n! 0 (without communication), 1 (with communication)\n! str -- an optional argument to indicate the starting index of\n! certain dimension\n!\n! Out: data -- original data after communication\n!\n! Local variable description:\n!\n! send_to -- processor number which data needs to be sent to\n! send_to_ptr -- a F90 pointer (alias) of send_to\n! recv_from -- processor number which data is recvd from\n! recv_from_ptr -- a F90 pointer (alias) of recv_from\n! sdir, rdir -- loop indexes which indicate send to or recvd from\n! sind -- store low and high index of each dimension for sending\n! process\n! sind_ptr -- a F90 pointer (alias) of sind\n! rind -- store low and high index of each dimension for receiving\n! process\n! rind_ptr -- a F90 pointer (alias) of rind\n! shift -- an array to hold the amount of index shifting due to\n! starting index is 1 in a subroutine\n! num_shift -- number of shifting\n! loc_str -- a local copy of str\n!\n! Include file:\n!\n! se_data_send_module\n! se_data_recv_module\n!\n! Subroutine/Function call:\n!\n! se_comm_pat\n! se_up_low4\n!\n! --------------------------------------------------------------------------\n\n subroutine se_pe_comm4 (data, dispstr, dirstr, str)\n\n use se_data_send_module\n use se_data_recv_module\n use se_internal_util_module\n use se_pe_info_ext\n\n implicit none\n\n include \"mpif.h\"\n\n real, intent(inout) :: data(:,:,:,:)\n character (len = 16), intent(in) :: dirstr\n character (len = 12), intent(in) :: dispstr\n character (len = *), optional, intent(in) :: str\n\n integer, target :: send_to(8), recv_from(8)\n integer, pointer :: send_to_ptr(:), recv_from_ptr(:)\n integer, target :: sind(2,4,8), rind(2,4,8)\n integer, pointer :: sind_ptr(:,:,:), rind_ptr(:,:,:)\n integer :: sdir, rdir\n integer :: shift(8), num_shift\n character (len = 80) :: loc_str\n integer :: request, status(MPI_STATUS_SIZE), error\n\n if (present(str)) then\n loc_str = str\n shift(2:8:2) = 1\n call se_string_to_integer (loc_str, shift, num_shift)\n else\n num_shift = 0\n end if\n\n call se_comm_pat (dirstr, send_to, recv_from)\n\n call se_up_low4 (dispstr, sind, rind, shift, num_shift, size(data,3), size(data,4))\n\n send_to_ptr => send_to\n recv_from_ptr => recv_from\n sind_ptr => sind\n rind_ptr => rind\n\n do sdir = 1, 8\n\n rdir = mod((sdir + 3), 8) + 1\n\n if (send_to(sdir) .eq. se_my_pe) then\n\n data(rind(1,1,rdir):rind(2,1,rdir),\n $ rind(1,2,rdir):rind(2,2,rdir),\n $ rind(1,3,rdir):rind(2,3,rdir),\n $ rind(1,4,rdir):rind(2,4,rdir))\n $ =\n $ data(sind(1,1,sdir):sind(2,1,sdir),\n $ sind(1,2,sdir):sind(2,2,sdir),\n $ sind(1,3,sdir):sind(2,3,sdir),\n $ sind(1,4,sdir):sind(2,4,sdir))\n\n else\n\n if (send_to(sdir) .ge. 0) then\n call se_data_send (data, sind_ptr, send_to_ptr, sdir, sdir,\n $ request)\n end if\n\n if ((recv_from(rdir) .ge. 0) .and.\n $ (recv_from(rdir) .ne. se_my_pe)) then\n call se_data_recv (data, rind_ptr, recv_from_ptr, rdir, sdir)\n end if\n\n! if (send_to(sdir) .ge. 0) then\n! call mpi_wait (request, status, error)\n! end if\n\n end if\n end do\n\n return\n end subroutine se_pe_comm4\n\n! --------------------------------------------------------------------------\n subroutine se_pe_comm4e (data, dispstr, dirstr, flag, str)\n\n use se_data_send_module\n use se_data_recv_module\n use se_internal_util_module\n use se_pe_info_ext\n\n implicit none\n\n include \"mpif.h\"\n\n real, intent(inout) :: data(:,:,:,:)\n character (len = 16), intent(in) :: dirstr\n character (len = 12), intent(in) :: dispstr\n integer, intent(in) :: flag\n character (len = *), optional, intent(in) :: str\n\n integer, target :: send_to(8), recv_from(8)\n integer, pointer :: send_to_ptr(:), recv_from_ptr(:)\n integer, target :: sind(2,8), rind(2,8)\n integer, pointer :: sind_ptr(:,:), rind_ptr(:,:)\n integer :: sdir, rdir\n integer :: shift(8), num_shift\n character (len = 80) :: loc_str\n integer :: request, status(MPI_STATUS_SIZE), error\n\n if (present(str)) then\n loc_str = str\n shift(2:8:2) = 1\n call se_string_to_integer (loc_str, shift, num_shift)\n else\n num_shift = 0\n end if\n\n call se_comm_pat (dirstr, send_to, recv_from)\n\n send_to_ptr => send_to\n recv_from_ptr => recv_from\n\n call se_up_low1 (dispstr, sind, rind, shift, num_shift)\n\n sind_ptr => sind\n rind_ptr => rind\n\n do sdir = 1, 8, 2\n\n rdir = mod((sdir + 3), 8) + 1\n\n if (send_to(sdir) .eq. se_my_pe) then\n\n data(rind(1,rdir):rind(2,rdir),:,:,:)\n $ =\n $ data(sind(1,sdir):sind(2,sdir),:,:,:)\n\n else\n if (send_to(sdir) .ge. 0) then\n call se_data_send (data, sind_ptr, send_to_ptr, sdir, sdir,\n $ request)\n end if\n\n if ((recv_from(rdir) .ge. 0) .and.\n $ (recv_from(rdir) .ne. se_my_pe)) then\n call se_data_recv (data, rind_ptr, recv_from_ptr, rdir, sdir)\n end if\n\n! if (send_to(sdir) .ge. 0) then\n! call mpi_wait (request, status, error)\n! end if\n\n end if\n end do\n \n return\n end subroutine se_pe_comm4e\n\n! --------------------------------------------------------------------------\n\n subroutine se_pe_comm5 (data, dispstr, dirstr, str)\n\n use se_data_send_module\n use se_data_recv_module\n use se_internal_util_module\n use se_pe_info_ext\n\n implicit none\n\n include \"mpif.h\"\n\n real, intent(inout) :: data(:,:,:,:,:)\n character (len = 16), intent(in) :: dirstr\n character (len = 12), intent(in) :: dispstr\n character (len = *), optional, intent(in) :: str\n\n integer, target :: send_to(8), recv_from(8)\n integer, pointer :: send_to_ptr(:), recv_from_ptr(:)\n integer, target :: sind(2,5,8), rind(2,5,8)\n integer, pointer :: sind_ptr(:,:,:), rind_ptr(:,:,:)\n integer :: sdir, rdir\n integer :: shift(10), num_shift\n character (len = 80) :: loc_str\n integer :: request, status(MPI_STATUS_SIZE), error\n\n if (present(str)) then\n loc_str = str\n shift(2:10:2) = 1\n call se_string_to_integer (loc_str, shift, num_shift)\n else\n num_shift = 0\n end if\n\n call se_comm_pat (dirstr, send_to, recv_from)\n\n call se_up_low5 (dispstr, sind, rind, shift, num_shift, size(data,3), size(data,4), size(data,5))\n\n send_to_ptr => send_to\n recv_from_ptr => recv_from\n sind_ptr => sind\n rind_ptr => rind\n\n do sdir = 1, 8\n\n rdir = mod((sdir + 3), 8) + 1\n\n if (send_to(sdir) .eq. se_my_pe) then\n\n data(rind(1,1,rdir):rind(2,1,rdir),\n $ rind(1,2,rdir):rind(2,2,rdir),\n $ rind(1,3,rdir):rind(2,3,rdir),\n $ rind(1,4,rdir):rind(2,4,rdir),\n $ rind(1,5,rdir):rind(2,5,rdir))\n $ =\n $ data(sind(1,1,sdir):sind(2,1,sdir),\n $ sind(1,2,sdir):sind(2,2,sdir),\n $ sind(1,3,sdir):sind(2,3,sdir),\n $ sind(1,4,sdir):sind(2,4,sdir),\n $ sind(1,5,sdir):sind(2,5,sdir))\n\n else\n\n if (send_to(sdir) .ge. 0) then\n call se_data_send (data, sind_ptr, send_to_ptr, sdir, sdir,\n $ request)\n end if\n\n if ((recv_from(rdir) .ge. 0) .and.\n $ (recv_from(rdir) .ne. se_my_pe)) then\n call se_data_recv (data, rind_ptr, recv_from_ptr, rdir, sdir)\n end if\n\n! if (send_to(sdir) .ge. 0) then\n! call mpi_wait (request, status, error)\n! end if\n\n end if\n end do\n\n end subroutine se_pe_comm5\n\n! --------------------------------------------------------------------------\n! Purpose:\n!\n! initialize the lower and upper index of each dimension of a local\n! 1-D array\n!\n! Revision history:\n!\n! Orginal version: 9/9/98 by David Wong\n! 11/05/99 by David Wong\n! -- recode the code using F90 syntax\n! 08/24/11 by David Wong\n! -- removed se_ori_ext to eliminate data and geo orientation\n!\n! Subroutine parameter description:\n!\n! In: dispstr -- displacement string\n! shift -- an array to hold the amount of index shifting due to\n! starting index is 1 in a subroutine\n! num_shift -- number of shifting\n!\n! Out: sind -- store low and high index of each dimension for sending\n! process\n! rind -- store low and high index of each dimension for receiving\n! process\n!\n! Local variable description:\n!\n! ndis -- North displacement\n! edis -- East displacement\n! sdis -- South displacement\n! wdis -- West displacement\n! loc_shift -- local adjustment of dummy argument shift\n!\n! Include file:\n! \n! se_domain_info_ext\n! se_ori_ext\n!\n! Subroutine/Function call:\n!\n! store1 \n!\n! --------------------------------------------------------------------------\n\n subroutine se_up_low1 (dispstr, sind, rind, shift, num_shift)\n\n use se_domain_info_ext\n! use se_ori_ext\n\n implicit none\n\n integer, intent(out) :: sind(2,8), rind(2,8)\n character (len = 12), intent(in) :: dispstr\n integer, intent(in) :: shift(2), num_shift\n integer :: ndis, edis, sdis, wdis, loc_shift\n\n if (num_shift .gt. 0) then\n loc_shift = 1 - shift(2)\n else\n loc_shift = 0\n end if\n\n! if (se_geo_ori .eq. 0) then\n read (dispstr, 20) sdis, edis, ndis, wdis\n! else\n! read (dispstr, 20) ndis, edis, sdis, wdis\n! end if\n 20 format (4i3)\n\n! -- ( sending ) determine ghost cells indexes configuration\n if (sdis .gt. 0) then\n call store1 (sind, 1, 1+loc_shift, sdis+loc_shift)\n end if\n if (ndis .gt. 0) then\n call store1 (sind, 5, se_my_nrows-ndis+1+loc_shift, \n & se_my_nrows+loc_shift)\n end if\n if (wdis .gt. 0) then\n call store1 (sind, 3, se_my_ncols-wdis+1+loc_shift, \n & se_my_ncols+loc_shift)\n end if\n if (edis .gt. 0) then\n call store1 (sind, 7, 1+loc_shift, edis+loc_shift)\n end if\n \n! -- ( receiving ) determine ghost cells indexes configuration\n if (ndis .gt. 0) then\n call store1 (rind, 1, 1-ndis+loc_shift, loc_shift)\n end if\n if (sdis .gt. 0) then\n call store1 (rind, 5, se_my_nrows+1+loc_shift, \n & se_my_nrows+sdis+loc_shift)\n end if\n if (edis .gt. 0) then\n call store1 (rind, 3, se_my_ncols+1+loc_shift, \n & se_my_ncols+edis+loc_shift)\n end if\n if (wdis .gt. 0) then\n call store1 (rind, 7, 1-wdis+loc_shift, loc_shift)\n end if\n\n return\n end subroutine se_up_low1\n\n! --------------------------------------------------------------------------\n! Purpose:\n!\n! to store low and high array indexes of a given domain with ghost cells\n!\n! Revision history:\n!\n! Orginal version: 9/9/98 by David Wong\n! 11/05/99 by David Wong\n! -- recode the code using F90 syntax\n!\n! Subroutine parameter description:\n!\n! In: direction -- communication direction\n! i1 -- low index of I dimension\n! i2 -- high index of I dimension\n!\n! Out: array -- array with low and high indexes of each dimension\n! --------------------------------------------------------------------------\n\n subroutine store1 (array, direction, i1, i2)\n\n integer, intent(out) :: array (2,8) \n integer, intent(in) :: direction, i1, i2\n\n array(1,direction) = i1\n array(2,direction) = i2\n\n return\n end subroutine store1\n\n! --------------------------------------------------------------------------\n! Purpose:\n!\n! initialize the lower and upper index of each dimension of a local\n! 2-D array \n!\n! Revision history:\n!\n! Orginal version: 8/3/98 by David Wong\n! 11/05/99 by David Wong\n! -- recode the code using F90 syntax\n! 1/17/01 by David Wong\n! -- use a new function se_corner_adjust to adjust stencil\n! in the NE, SE, SW, and NW direction of the boundary\n! processors. The adjustment is applied to the store\n! function which determine the sending and receiving\n! indices.\n! 11/28/01 by David Wong\n! -- make calculation of loc_shift more general to suit\n! RC orientation.\n! 08/24/11 by David Wong\n! -- removed se_ori_ext to eliminate data and geo orientation\n!\n! Subroutine parameter description:\n!\n! In: dispstr -- displacement string\n! shift -- an array to hold the amount of index shifting due to\n! starting index is 1 in a subroutine\n! num_shift -- number of shifting\n!\n! Out: sind -- store low and high index of each dimension for sending\n! process\n! rind -- store low and high index of each dimension for receiving\n! process\n!\n! Local variable description:\n!\n! ndis -- North displacement\n! edis -- East displacement\n! sdis -- South displacement\n! wdis -- West displacement\n! i -- loop index\n! loc_shift -- local adjustment of dummy argument shift\n!\n! Include file:\n! \n! se_domain_info_ext\n! se_ori_ext\n!\n! Subroutine/Function call:\n!\n! store2 \n!\n! --------------------------------------------------------------------------\n\n subroutine se_up_low2 (dispstr, sind, rind, shift, num_shift)\n\n use se_domain_info_ext\n! use se_ori_ext\n use se_internal_util_module\n\n implicit none\n\n integer, intent(inout) :: sind(2,2,8), rind(2,2,8)\n character (len = 12), intent(in) :: dispstr\n integer, intent(in) :: shift(4), num_shift\n\n integer :: ndis, edis, sdis, wdis, loc_shift(2), i\n integer :: n_adj, e_adj, s_adj, w_adj\n\n if (num_shift .gt. 0) then\n! if ((se_data_ori .eq. \"cr\") .or. (se_data_ori .eq. \"CR\")) then\n if (shift(1) .eq. 1) then\n loc_shift(1) = 1 - shift(4)\n loc_shift(2) = 1 - shift(2)\n else\n loc_shift(1) = 1 - shift(2)\n loc_shift(2) = 1 - shift(4)\n end if\n! else\n! if (shift(1) .eq. 1) then\n! loc_shift(1) = 1 - shift(2)\n! loc_shift(2) = 1 - shift(4)\n! else\n! loc_shift(1) = 1 - shift(4)\n! loc_shift(2) = 1 - shift(2)\n! end if\n! end if\n else\n loc_shift(1) = 0\n loc_shift(2) = 0\n end if\n\n! if (se_geo_ori .eq. 0) then\n read (dispstr, 20) sdis, edis, ndis, wdis\n! else\n! read (dispstr, 20) ndis, edis, sdis, wdis\n! end if\n 20 format (4i3)\n\n call se_corner_adjust (ndis, edis, sdis, wdis, 1,\n & n_adj, e_adj, s_adj, w_adj)\n\n! -- ( sending ) determine ghost cells indexes configuration \n call store2 (sind, 1, 1+loc_shift(1), sdis+loc_shift(1),\n & 1+loc_shift(2)-w_adj, se_my_ncols+loc_shift(2)+e_adj)\n call store2 (sind, 2, 1+loc_shift(1), sdis+loc_shift(1),\n & se_my_ncols-wdis+1+loc_shift(2), se_my_ncols+loc_shift(2))\n call store2 (sind, 3, 1+loc_shift(1)-n_adj, \n & se_my_nrows+loc_shift(1)+s_adj,\n & se_my_ncols-wdis+1+loc_shift(2), se_my_ncols+loc_shift(2))\n call store2 (sind, 4, se_my_nrows-ndis+1+loc_shift(1),\n & se_my_nrows+loc_shift(1), se_my_ncols-wdis+1+loc_shift(2),\n & se_my_ncols+loc_shift(2))\n call store2 (sind, 5, se_my_nrows-ndis+1+loc_shift(1),\n & se_my_nrows+loc_shift(1), 1+loc_shift(2)-w_adj,\n & se_my_ncols+loc_shift(2)+e_adj)\n call store2 (sind, 6, se_my_nrows-ndis+1+loc_shift(1),\n & se_my_nrows+loc_shift(1), 1+loc_shift(2), \n & edis+loc_shift(2))\n call store2 (sind, 7, 1+loc_shift(1)-n_adj, \n & se_my_nrows+loc_shift(1)+s_adj,\n & 1+loc_shift(2), edis+loc_shift(2))\n call store2 (sind, 8, 1+loc_shift(1), sdis+loc_shift(1),\n & 1+loc_shift(2), edis+loc_shift(2))\n\n call se_corner_adjust (ndis, edis, sdis, wdis, 2,\n & n_adj, e_adj, s_adj, w_adj)\n\n! -- ( receiving ) determine ghost cells indexes configuration \n call store2 (rind, 1, 1-ndis+loc_shift(1), loc_shift(1),\n & 1+loc_shift(2)-w_adj, se_my_ncols+loc_shift(2)+e_adj)\n call store2 (rind, 2, 1-ndis+loc_shift(1), loc_shift(1),\n & se_my_ncols+1+loc_shift(2), se_my_ncols+edis+loc_shift(2))\n call store2 (rind, 3, 1+loc_shift(1)-n_adj, \n & se_my_nrows+loc_shift(1)+s_adj, se_my_ncols+1+loc_shift(2),\n & se_my_ncols+edis+loc_shift(2))\n call store2 (rind, 4, se_my_nrows+1+loc_shift(1),\n & se_my_nrows+sdis+loc_shift(1),\n & se_my_ncols+1+loc_shift(2), se_my_ncols+edis+loc_shift(2))\n call store2 (rind, 5, se_my_nrows+1+loc_shift(1),\n & se_my_nrows+sdis+loc_shift(1), 1+loc_shift(2)-w_adj,\n & se_my_ncols+loc_shift(2)+e_adj)\n call store2 (rind, 6, se_my_nrows+1+loc_shift(1),\n & se_my_nrows+sdis+loc_shift(1), 1-wdis+loc_shift(2),\n & loc_shift(2))\n call store2 (rind, 7, 1+loc_shift(1)-n_adj, \n & se_my_nrows+loc_shift(1)+s_adj,\n & 1-wdis+loc_shift(2), loc_shift(2))\n call store2 (rind, 8, 1-ndis+loc_shift(1), loc_shift(1),\n & 1-wdis+loc_shift(2), loc_shift(2))\n\n! if ((se_data_ori .eq. \"cr\") .or. (se_data_ori .eq. \"CR\")) then\n do i = 1, 8\n call swap (sind(1,1,i), sind(1,2,i))\n call swap (sind(2,1,i), sind(2,2,i))\n call swap (rind(1,1,i), rind(1,2,i))\n call swap (rind(2,1,i), rind(2,2,i))\n end do\n! end if\n\n return\n end subroutine se_up_low2\n\n! --------------------------------------------------------------------------\n! Purpose:\n!\n! to store low and high array indexes of a given domain with ghost cells\n!\n! Revision history:\n!\n! Orginal version: 7/28/98 by David Wong\n! 11/05/99 by David Wong\n! -- recode the code using F90 syntax\n!\n! Subroutine parameter description:\n!\n! In: direction -- communication direction\n! i1 -- low index of I dimension\n! i2 -- high index of I dimension\n! j1 -- low index of J dimension\n! j2 -- high index of J dimension\n!\n! Out: array -- array with low and high indexes of each dimension\n! --------------------------------------------------------------------------\n\n subroutine store2 (array, direction, i1, i2, j1, j2)\n\n integer, intent(out) :: array (2,2,8) \n integer, intent(in) :: direction, i1, i2, j1, j2\n\n array(1,1,direction) = i1\n array(2,1,direction) = i2\n array(1,2,direction) = j1\n array(2,2,direction) = j2\n\n return\n end subroutine store2\n\n! --------------------------------------------------------------------------\n! Purpose:\n!\n! initialize the lower and upper index of each dimension of a local\n! 3-D array\n!\n! Revision history:\n!\n! Orginal version: 8/2/98 by David Wong \n! 11/05/99 by David Wong\n! -- recode the code using F90 syntax\n! 1/17/01 by David Wong\n! -- use a new function se_corner_adjust to adjust stencil\n! in the NE, SE, SW, and NW direction of the boundary\n! processors. The adjustment is applied to the store\n! function which determine the sending and receiving\n! indices.\n! 11/28/01 by David Wong\n! -- make calculation of loc_shift more general to suit\n! RC orientation.\n! 08/24/11 by David Wong\n! -- removed se_ori_ext to eliminate data and geo orientation\n!\n! Subroutine parameter description:\n!\n! In: dispstr -- displacement string\n! shift -- an array to hold the amount of index shifting due to\n! starting index is 1 in a subroutine\n! num_shift -- number of shifting\n!\n! Out: sind -- store low and high index of each dimension for sending\n! process\n! rind -- store low and high index of each dimension for receiving\n! process\n!\n! Local variable description:\n!\n! ndis -- North displacement\n! edis -- East displacement\n! sdis -- South displacement\n! wdis -- West displacement\n! i -- loop index\n! loc_shift -- local adjustment of dummy argument shift\n! ldecomp -- hold the values of decompstr\n!\n! Include file:\n!\n! se_domain_info_ext\n! se_ori_ext\n!\n! se_comm_info_ext\n!\n! decompstr -- indicator of which dimenion(s) of data is/are decomposed,\n! 0 (not decomposed), 1 (decomposed)\n!\n! Subroutine/Function call:\n!\n! store3 \n!\n! --------------------------------------------------------------------------\n\n subroutine se_up_low3 (dispstr, sind, rind, shift, num_shift, s3)\n\n use se_domain_info_ext\n use se_comm_info_ext\n! use se_ori_ext\n use se_internal_util_module\n\n implicit none\n\n integer, intent(inout) :: sind(2,3,8), rind(2,3,8)\n character (len = 12), intent(in) :: dispstr\n integer, intent(in) :: shift(6), num_shift, s3\n\n integer :: ndis, edis, sdis, wdis, loc_shift(3), i\n integer :: ldecomp(4)\n integer :: n_adj, e_adj, s_adj, w_adj\n\n read (se_decompstr, 15) (ldecomp(i), i=1, 4)\n 15 format (8i2)\n\n if (num_shift .gt. 0) then\n! if ((se_data_ori .eq. \"cr\") .or. (se_data_ori .eq. \"CR\")) then\n if (shift(1) .eq. 1) then\n loc_shift(1) = 1 - shift(4)\n loc_shift(2) = 1 - shift(2)\n else\n loc_shift(1) = 1 - shift(2)\n loc_shift(2) = 1 - shift(4)\n end if\n! else\n! if (shift(1) .eq. 1) then\n! loc_shift(1) = 1 - shift(2)\n! loc_shift(2) = 1 - shift(4)\n! else\n! loc_shift(1) = 1 - shift(4)\n! loc_shift(2) = 1 - shift(2)\n! end if\n! end if\n loc_shift(3) = 1 - shift(6)\n else\n loc_shift(1:3) = 0\n end if\n\n! if (se_geo_ori .eq. 0) then\n read (dispstr, 20) sdis, edis, ndis, wdis\n! else\n! read (dispstr, 20) ndis, edis, sdis, wdis\n! end if\n 20 format (4i3)\n\n call se_corner_adjust (ndis, edis, sdis, wdis, 1,\n & n_adj, e_adj, s_adj, w_adj)\n\n! -- ( sending ) determine ghost cells indexes configuration which\n! -- depends on spatial decomposition type 1, 2, and 3, respectively\n if ((ldecomp(1) + ldecomp(3) .eq. 1) .and. \n & (ldecomp(1) .eq. 1)) then\n call store3 (sind, 1, 1+loc_shift(1), sdis+loc_shift(1), \n & 1+loc_shift(2)-w_adj, se_my_ncols+loc_shift(2)+e_adj, \n & 1+loc_shift(3), s3+loc_shift(3))\n call store3 (sind, 2, 1+loc_shift(1), sdis+loc_shift(1), \n & se_my_ncols-wdis+1+loc_shift(2), \n & se_my_ncols+loc_shift(2), 1+loc_shift(3), \n & s3+loc_shift(3))\n call store3 (sind, 3, 1+loc_shift(1)-n_adj, \n & se_my_nrows+loc_shift(1)+s_adj, \n & se_my_ncols-wdis+1+loc_shift(2), \n & se_my_ncols+loc_shift(2), 1+loc_shift(3), \n & s3+loc_shift(3))\n call store3 (sind, 4, se_my_nrows-ndis+1+loc_shift(1), \n & se_my_nrows+loc_shift(1), \n & se_my_ncols-wdis+1+loc_shift(2), \n & se_my_ncols+loc_shift(2), 1+loc_shift(3), \n & s3+loc_shift(3))\n call store3 (sind, 5, se_my_nrows-ndis+1+loc_shift(1), \n & se_my_nrows+loc_shift(1), 1+loc_shift(2)-w_adj, \n & se_my_ncols+loc_shift(2)+e_adj, 1+loc_shift(3), \n & s3+loc_shift(3))\n call store3 (sind, 6, se_my_nrows-ndis+1+loc_shift(1), \n & se_my_nrows+loc_shift(1), 1+loc_shift(2), \n & edis+loc_shift(2), 1+loc_shift(3), \n & s3+loc_shift(3))\n call store3 (sind, 7, 1+loc_shift(1)-n_adj, \n & se_my_nrows+loc_shift(1)+s_adj, \n & 1+loc_shift(2), edis+loc_shift(2), 1+loc_shift(3),\n & s3+loc_shift(3))\n call store3 (sind, 8, 1+loc_shift(1), sdis+loc_shift(1), \n & 1+loc_shift(2), edis+loc_shift(2), \n & 1+loc_shift(3), s3+loc_shift(3))\n else if ((ldecomp(1) + ldecomp(2) .eq. 1) .and. \n & (ldecomp(2) .eq. 1)) then\n call store3 (sind, 1, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & 1+loc_shift(2), sdis+loc_shift(2), 1+loc_shift(3)-w_adj,\n & s3+loc_shift(3)+e_adj)\n call store3 (sind, 2, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & 1+loc_shift(2), sdis+loc_shift(2), \n & s3-wdis+1+loc_shift(3), \n & s3+loc_shift(3))\n call store3 (sind, 3, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & 1+loc_shift(2)-n_adj, se_my_ncols+loc_shift(2)+s_adj,\n & s3-wdis+1+loc_shift(3), \n & s3+loc_shift(3))\n call store3 (sind, 4, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & se_my_ncols-ndis+1+loc_shift(2), \n & se_my_ncols+loc_shift(2), \n & s3-wdis+1+loc_shift(3), \n & s3+loc_shift(3))\n call store3 (sind, 5, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & se_my_ncols-ndis+1+loc_shift(2), \n & se_my_ncols+loc_shift(2), 1+loc_shift(3)-w_adj,\n & s3+loc_shift(3)+e_adj)\n call store3 (sind, 6, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & se_my_ncols-ndis+1+loc_shift(2), \n & se_my_ncols+loc_shift(2), 1+loc_shift(3), \n & edis+loc_shift(3))\n call store3 (sind, 7, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & 1+loc_shift(2)-n_adj, se_my_ncols+loc_shift(2)+s_adj,\n & 1+loc_shift(3), edis+loc_shift(3))\n call store3 (sind, 8, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & 1+loc_shift(2), sdis+loc_shift(2), 1+loc_shift(3), \n & edis+loc_shift(3))\n else\n call store3 (sind, 1, 1+loc_shift(1)-w_adj,\n & se_my_nrows+loc_shift(1)+e_adj, \n & 1+loc_shift(2), se_my_ncols+loc_shift(2), \n & 1+loc_shift(3), sdis+loc_shift(3))\n call store3 (sind, 2, se_my_nrows-wdis+1+loc_shift(1), \n & se_my_nrows+loc_shift(1), 1+loc_shift(2), \n & se_my_ncols+loc_shift(2), 1+loc_shift(3), \n & sdis+loc_shift(3))\n call store3 (sind, 3, se_my_nrows-wdis+1+loc_shift(1), \n & se_my_nrows+loc_shift(1), 1+loc_shift(2), \n & se_my_ncols+loc_shift(2), 1+loc_shift(3)-n_adj, \n & s3+loc_shift(3)+s_adj)\n call store3 (sind, 4, se_my_nrows-wdis+1+loc_shift(1), \n & se_my_nrows+loc_shift(1), 1+loc_shift(2), \n & se_my_ncols+loc_shift(2), \n & s3-ndis+1+loc_shift(3), \n & s3+loc_shift(3))\n call store3 (sind, 5, 1+loc_shift(1)-w_adj,\n & se_my_nrows+loc_shift(1)+e_adj,\n & 1+loc_shift(2), se_my_ncols+loc_shift(2), \n & s3-ndis+1+loc_shift(3), \n & s3+loc_shift(3))\n call store3 (sind, 6, 1+loc_shift(1), edis+loc_shift(1), \n & 1+loc_shift(2), se_my_ncols+loc_shift(2), \n & s3-ndis+1+loc_shift(3), \n & s3+loc_shift(3))\n call store3 (sind, 7, 1+loc_shift(1), edis+loc_shift(1), \n & 1+loc_shift(2), se_my_ncols+loc_shift(2), \n & 1+loc_shift(3)-n_adj, s3+loc_shift(3)+s_adj)\n call store3 (sind, 8, 1+loc_shift(1), edis+loc_shift(1), \n & 1+loc_shift(2), se_my_ncols+loc_shift(2), \n & 1+loc_shift(3), sdis+loc_shift(3))\n end if\n\n call se_corner_adjust (ndis, edis, sdis, wdis, 2,\n & n_adj, e_adj, s_adj, w_adj)\n\n! -- ( receiving ) determine ghost cells indexes configuration which\n! -- depends on spatial decomposition, type 1, 2, and 3, respectively\n if ((ldecomp(1) + ldecomp(3) .eq. 1) .and. \n & (ldecomp(1) .eq. 1)) then\n call store3 (rind, 1, 1-ndis+loc_shift(1), loc_shift(1), \n & 1+loc_shift(2)-w_adj, se_my_ncols+loc_shift(2)+e_adj, \n & 1+loc_shift(3), s3+loc_shift(3))\n call store3 (rind, 2, 1-ndis+loc_shift(1), loc_shift(1), \n & se_my_ncols+1+loc_shift(2), \n & se_my_ncols+edis+loc_shift(2), 1+loc_shift(3), \n & s3+loc_shift(3))\n call store3 (rind, 3, 1+loc_shift(1)-n_adj, \n & se_my_nrows+loc_shift(1)+s_adj, \n & se_my_ncols+1+loc_shift(2), \n & se_my_ncols+edis+loc_shift(2), 1+loc_shift(3), \n & s3+loc_shift(3))\n call store3 (rind, 4, se_my_nrows+1+loc_shift(1), \n & se_my_nrows+sdis+loc_shift(1), \n & se_my_ncols+1+loc_shift(2), \n & se_my_ncols+edis+loc_shift(2), 1+loc_shift(3), \n & s3+loc_shift(3))\n call store3 (rind, 5, se_my_nrows+1+loc_shift(1), \n & se_my_nrows+sdis+loc_shift(1), 1+loc_shift(2)-w_adj, \n & se_my_ncols+loc_shift(2)+e_adj, 1+loc_shift(3), \n & s3+loc_shift(3))\n call store3 (rind, 6, se_my_nrows+1+loc_shift(1), \n & se_my_nrows+sdis+loc_shift(1), 1-wdis+loc_shift(2), \n & loc_shift(2), 1+loc_shift(3), s3+loc_shift(3))\n call store3 (rind, 7, 1+loc_shift(1)-n_adj, \n & se_my_nrows+loc_shift(1)+s_adj, \n & 1-wdis+loc_shift(2), loc_shift(2), 1+loc_shift(3), \n & s3+loc_shift(3))\n call store3 (rind, 8, 1-ndis+loc_shift(1), loc_shift(1), \n & 1-wdis+loc_shift(2), loc_shift(2), 1+loc_shift(3), \n & s3+loc_shift(3))\n else if ((ldecomp(1) + ldecomp(2) .eq. 1) .and. \n & (ldecomp(2) .eq. 1)) then\n call store3 (rind, 1, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & 1-ndis+loc_shift(2), loc_shift(2), 1+loc_shift(3)-w_adj,\n & s3+loc_shift(3)+e_adj)\n call store3 (rind, 2, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & 1-ndis+loc_shift(2), loc_shift(2), \n & s3+1+loc_shift(3), \n & s3+edis+loc_shift(3))\n call store3 (rind, 3, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & 1+loc_shift(2)-n_adj, se_my_ncols+loc_shift(2)+s_adj,\n & s3+1+loc_shift(3), \n & s3+edis+loc_shift(3))\n call store3 (rind, 4, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & se_my_ncols+1+loc_shift(2), \n & se_my_ncols+sdis+loc_shift(2), \n & s3+1+loc_shift(3), \n & s3+edis+loc_shift(3))\n call store3 (rind, 5, 1+loc_shift(1), se_my_nrows+loc_shift(1),\n & se_my_ncols+1+loc_shift(2), \n & se_my_ncols+sdis+loc_shift(2), 1+loc_shift(3)-w_adj, \n & s3+loc_shift(3)+e_adj)\n call store3 (rind, 6, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & se_my_ncols+1+loc_shift(2), \n & se_my_ncols+sdis+loc_shift(2), 1-wdis+loc_shift(3), \n & loc_shift(3))\n call store3 (rind, 7, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & 1+loc_shift(2)-n_adj, se_my_ncols+loc_shift(2)+s_adj,\n & 1-wdis+loc_shift(3), loc_shift(3))\n call store3 (rind, 8, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & 1-ndis+loc_shift(2), loc_shift(2), 1-wdis+loc_shift(3), \n & loc_shift(3))\n else\n call store3 (rind, 1, 1+loc_shift(1)-w_adj, \n & se_my_nrows+loc_shift(1)+e_adj, 1+loc_shift(2), \n & se_my_ncols+loc_shift(2), 1-ndis+loc_shift(3), \n & loc_shift(3))\n call store3 (rind, 2, se_my_nrows+1+loc_shift(1), \n & se_my_nrows+edis+loc_shift(1), 1+loc_shift(2), \n & se_my_ncols+loc_shift(2), 1-ndis+loc_shift(3), \n & loc_shift(3))\n call store3 (rind, 3, se_my_nrows+1+loc_shift(1), \n & se_my_nrows+edis+loc_shift(1), 1+loc_shift(2), \n & se_my_ncols+loc_shift(2), 1+loc_shift(3)-n_adj,\n & s3+loc_shift(3)+s_adj)\n call store3 (rind, 4, se_my_nrows+1+loc_shift(1), \n & se_my_nrows+edis+loc_shift(1), 1+loc_shift(2), \n & se_my_ncols+loc_shift(2), s3+1+loc_shift(3), \n & s3+sdis+loc_shift(3))\n call store3 (rind, 5, 1+loc_shift(1)-w_adj, \n & se_my_nrows+loc_shift(1)+e_adj, 1+loc_shift(2), \n & se_my_ncols+loc_shift(2), s3+1+loc_shift(3), \n & s3+sdis+loc_shift(3))\n call store3 (rind, 6, 1-wdis+loc_shift(1), loc_shift(1), \n & 1+loc_shift(2), se_my_ncols+loc_shift(2), \n & s3+1+loc_shift(3), \n & s3+sdis+loc_shift(3))\n call store3 (rind, 7, 1-wdis+loc_shift(1), loc_shift(1), \n & 1+loc_shift(2), se_my_ncols+loc_shift(2), \n & 1+loc_shift(3)-n_adj, s3+loc_shift(3)+s_adj)\n call store3 (rind, 8, 1-wdis+loc_shift(1), loc_shift(1), \n & 1+loc_shift(2), se_my_ncols+loc_shift(2), \n & 1-ndis+loc_shift(3), loc_shift(3))\n end if\n\n! if ((se_data_ori .eq. \"cr\") .or. (se_data_ori .eq. \"CR\")) then\n do i = 1, 8\n call swap (sind(1,1,i), sind(1,2,i))\n call swap (sind(2,1,i), sind(2,2,i))\n call swap (rind(1,1,i), rind(1,2,i))\n call swap (rind(2,1,i), rind(2,2,i))\n end do\n! end if\n\n return\n end subroutine se_up_low3\n\n! --------------------------------------------------------------------------\n! Purpose:\n!\n! to store low and high array indexes of a given domain with ghost cells\n!\n! Revision history:\n!\n! Orginal version: 7/28/98 by David Wong\n! 11/05/99 by David Wong\n! -- recode the code using F90 syntax\n!\n! Subroutine parameter description:\n!\n! In: direction -- communication direction\n! i1 -- low index of I dimension\n! i2 -- high index of I dimension\n! j1 -- low index of J dimension\n! j2 -- high index of J dimension\n! k1 -- low index of K dimension\n! k2 -- high index of K dimension\n!\n! Out: array -- array with low and high indexes of each dimension\n! --------------------------------------------------------------------------\n\n subroutine store3 (array, direction, i1, i2, j1, j2, k1, k2)\n\n integer, intent(out) :: array (2,3,8) \n integer, intent(in) :: direction, i1, i2, j1, j2, k1, k2\n\n array(1,1,direction) = i1\n array(2,1,direction) = i2\n array(1,2,direction) = j1\n array(2,2,direction) = j2\n array(1,3,direction) = k1\n array(2,3,direction) = k2\n\n return\n end subroutine store3\n\n! --------------------------------------------------------------------------\n! Purpose:\n!\n! initialize the lower and upper index of each dimension of a local\n! 4-D array\n!\n! Revision history:\n!\n! Orginal version: 8/3/98 by David Wong\n! 11/05/99 by David Wong\n! -- recode the code using F90 syntax\n! 1/17/01 by David Wong\n! -- use a new function se_corner_adjust to adjust stencil\n! in the NE, SE, SW, and NW direction of the boundary\n! processors. The adjustment is applied to the store\n! function which determine the sending and receiving\n! indices.\n! 11/28/01 by David Wong\n! -- make calculation of loc_shift more general to suit\n! RC orientation.\n! 08/24/11 by David Wong\n! -- removed se_ori_ext to eliminate data and geo orientation\n!\n! Subroutine parameter description:\n!\n! In: dispstr -- displacement string\n! shift -- an array to hold the amount of index shifting due to\n! starting index is 1 in a subroutine\n! num_shift -- number of shifting\n!\n! Out: sind -- store low and high index of each dimension for sending\n! process\n! rind -- store low and high index of each dimension for receiving\n! process\n!\n! Local variable description:\n!\n! ndis -- North displacement\n! edis -- East displacement\n! sdis -- South displacement\n! wdis -- West displacement\n! i -- loop index\n! loc_shift -- local adjustment of dummy argument shift\n! ldecomp -- hold the values of decompstr \n!\n! Include file:\n!\n! se_domain_info_ext\n! se_ori_ext\n!\n! se_comm_info.ext\n!\n! decompstr -- indicator of which dimenion(s) of data is/are decomposed,\n! 0 (not decomposed), 1 (decomposed)\n!\n! Subroutine/Function call:\n!\n! store4 \n!\n! --------------------------------------------------------------------------\n\n subroutine se_up_low4 (dispstr, sind, rind, shift, num_shift, s3, s4)\n\n use se_domain_info_ext\n use se_comm_info_ext\n! use se_ori_ext\n use se_internal_util_module\n\n implicit none\n\n integer, intent(inout) :: sind(2,4,8), rind(2,4,8)\n character (len = 12), intent(in) :: dispstr\n integer, intent(in) :: shift(8), num_shift, s3, s4\n\n integer :: ndis, edis, sdis, wdis, loc_shift(4), i\n integer :: ldecomp(4)\n integer :: n_adj, e_adj, s_adj, w_adj\n\n if (num_shift .gt. 0) then\n! if ((se_data_ori .eq. \"cr\") .or. (se_data_ori .eq. \"CR\")) then\n if (shift(1) .eq. 1) then\n loc_shift(1) = 1 - shift(4)\n loc_shift(2) = 1 - shift(2)\n else\n loc_shift(1) = 1 - shift(2)\n loc_shift(2) = 1 - shift(4)\n end if\n! else\n! if (shift(1) .eq. 1) then\n! loc_shift(1) = 1 - shift(2)\n! loc_shift(2) = 1 - shift(4)\n! else\n! loc_shift(1) = 1 - shift(4)\n! loc_shift(2) = 1 - shift(2)\n! end if\n! end if\n loc_shift(3) = 1 - shift(6)\n loc_shift(4) = 1 - shift(8)\n else\n loc_shift(1:4) = 0\n end if\n\n read (se_decompstr, 15) (ldecomp(i), i=1, 4)\n 15 format (8i2)\n\n! if (se_geo_ori .eq. 0) then\n read (dispstr, 20) sdis, edis, ndis, wdis\n! else\n! read (dispstr, 20) ndis, edis, sdis, wdis\n! end if\n 20 format (4i3)\n\n call se_corner_adjust (ndis, edis, sdis, wdis, 1,\n & n_adj, e_adj, s_adj, w_adj)\n\n! -- ( sending ) determine ghost cells indexes configuration which\n! -- depends on spatial decomposition type 1, 2, 3, 4, 5, and 6, respectively\n if ((ldecomp(1) + ldecomp(3) .eq. 1) .and. \n & (ldecomp(1) .eq. 1) .and. (ldecomp(4) .eq. 0)) then\n call store4 (sind, 1, 1+loc_shift(1), sdis+loc_shift(1),\n & 1+loc_shift(2)-w_adj, se_my_ncols+loc_shift(2)+e_adj,\n & 1+loc_shift(3), s3+loc_shift(3), \n & 1+loc_shift(4), s4+loc_shift(4))\n call store4 (sind, 2, 1+loc_shift(1), sdis+loc_shift(1),\n & se_my_ncols-wdis+1+loc_shift(2),\n & se_my_ncols+loc_shift(2), 1+loc_shift(3), \n & s3+loc_shift(3), 1+loc_shift(4), \n & s4+loc_shift(4))\n call store4 (sind, 3, 1+loc_shift(1)-n_adj,\n & se_my_nrows+loc_shift(1)+s_adj,\n & se_my_ncols-wdis+1+loc_shift(2),\n & se_my_ncols+loc_shift(2), 1+loc_shift(3), \n & s3+loc_shift(3), 1+loc_shift(4), \n & s4+loc_shift(4))\n call store4 (sind, 4, se_my_nrows-ndis+1+loc_shift(1), \n & se_my_nrows+loc_shift(1), \n & se_my_ncols-wdis+1+loc_shift(2), \n & se_my_ncols+loc_shift(2), 1+loc_shift(3), \n & s3+loc_shift(3), 1+loc_shift(4), \n & s4+loc_shift(4))\n call store4 (sind, 5, se_my_nrows-ndis+1+loc_shift(1),\n & se_my_nrows+loc_shift(1), 1+loc_shift(2)-w_adj,\n & se_my_ncols+loc_shift(2)+e_adj, 1+loc_shift(3), \n & s3+loc_shift(3), 1+loc_shift(4), \n & s4+loc_shift(4))\n call store4 (sind, 6, se_my_nrows-ndis+1+loc_shift(1), \n & se_my_nrows+loc_shift(1), 1+loc_shift(2), \n & edis+loc_shift(2), 1+loc_shift(3), \n & s3+loc_shift(3), 1+loc_shift(4), \n & s4+loc_shift(4))\n call store4 (sind, 7, 1+loc_shift(1)-n_adj,\n & se_my_nrows+loc_shift(1)+s_adj,\n & 1+loc_shift(2), edis+loc_shift(2), 1+loc_shift(3), \n & s3+loc_shift(3), 1+loc_shift(4), \n & s4+loc_shift(4))\n call store4 (sind, 8, 1+loc_shift(1), sdis+loc_shift(1), \n & 1+loc_shift(2), edis+loc_shift(2), 1+loc_shift(3), \n & s3+loc_shift(3), 1+loc_shift(4), \n & s4+loc_shift(4))\n else if ((ldecomp(2) + ldecomp(4) .eq. 1) .and. \n & (ldecomp(2) .eq. 1) .and. (ldecomp(1) .eq. 0)) then\n call store4 (sind, 1, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & 1+loc_shift(2), sdis+loc_shift(2), 1+loc_shift(3)-w_adj,\n & s3+loc_shift(3)+e_adj, 1+loc_shift(4), \n & s4+loc_shift(4))\n call store4 (sind, 2, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & 1+loc_shift(2), sdis+loc_shift(2), \n & s3-wdis+1+loc_shift(3), \n & s3+loc_shift(3), 1+loc_shift(4), \n & s4+loc_shift(4))\n call store4 (sind, 3, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & 1+loc_shift(2)-n_adj, se_my_ncols+loc_shift(2)+s_adj,\n & s3-wdis+1+loc_shift(3), \n & s3+loc_shift(3), 1+loc_shift(4), \n & s4+loc_shift(4))\n call store4 (sind, 4, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & se_my_ncols-ndis+1+loc_shift(2), \n & se_my_ncols+loc_shift(2), \n & s3-wdis+1+loc_shift(3), \n & s3+loc_shift(3), 1+loc_shift(4), \n & s4+loc_shift(4))\n call store4 (sind, 5, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & se_my_ncols-ndis+1+loc_shift(2), \n & se_my_ncols+loc_shift(2), 1+loc_shift(3)-w_adj,\n & s3+loc_shift(3)+e_adj, 1+loc_shift(4), \n & s4+loc_shift(4))\n call store4 (sind, 6, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & se_my_ncols-ndis+1+loc_shift(2), \n & se_my_ncols+loc_shift(2), 1+loc_shift(3), \n & edis+loc_shift(3), 1+loc_shift(4), \n & s4+loc_shift(4))\n call store4 (sind, 7, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & 1+loc_shift(2)-n_adj, se_my_ncols+loc_shift(2)+s_adj,\n & 1+loc_shift(3), edis+loc_shift(3), 1+loc_shift(4), \n & s4+loc_shift(4))\n call store4 (sind, 8, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & 1+loc_shift(2), sdis+loc_shift(2), 1+loc_shift(3), \n & edis+loc_shift(3), 1+loc_shift(4), \n & s4+loc_shift(4))\n else if ((ldecomp(3) + ldecomp(4) .eq. 1) .and. \n & (ldecomp(3) .eq. 1) .and. (ldecomp(2) .eq. 0)) then\n call store4 (sind, 1, 1+loc_shift(1)-w_adj, \n & se_my_nrows+loc_shift(1)+e_adj, 1+loc_shift(2), \n & se_my_ncols+loc_shift(2), 1+loc_shift(3), \n & sdis+loc_shift(3), 1+loc_shift(4), \n & s4+loc_shift(4))\n call store4 (sind, 2, se_my_nrows-wdis+1+loc_shift(1), \n & se_my_nrows+loc_shift(1), 1+loc_shift(2), \n & se_my_ncols+loc_shift(2), 1+loc_shift(3), \n & sdis+loc_shift(3), 1+loc_shift(4), \n & s4+loc_shift(4))\n call store4 (sind, 3, se_my_nrows-wdis+1+loc_shift(1), \n & se_my_nrows+loc_shift(1), 1+loc_shift(2), \n & se_my_ncols+loc_shift(2), 1+loc_shift(3)-n_adj, \n & s3+loc_shift(3)+s_adj, 1+loc_shift(4), \n & s4+loc_shift(4))\n call store4 (sind, 4, se_my_nrows-wdis+1+loc_shift(1), \n & se_my_nrows+loc_shift(1), 1+loc_shift(2), \n & se_my_ncols+loc_shift(2), \n & s3-ndis+1+loc_shift(3), \n & s3+loc_shift(3), 1+loc_shift(4), \n & s4+loc_shift(4))\n call store4 (sind, 5, 1+loc_shift(1)-w_adj, \n & se_my_nrows+loc_shift(1)+e_adj, 1+loc_shift(2), \n & se_my_ncols+loc_shift(2), \n & s3-ndis+1+loc_shift(3), \n & s3+loc_shift(3), 1+loc_shift(4), \n & s4+loc_shift(4))\n call store4 (sind, 6, 1+loc_shift(1), edis+loc_shift(1), \n & 1+loc_shift(2), se_my_ncols+loc_shift(2), \n & s3-ndis+1+loc_shift(3), \n & s3+loc_shift(3), 1+loc_shift(4), \n & s4+loc_shift(4))\n call store4 (sind, 7, 1+loc_shift(1), edis+loc_shift(1), \n & 1+loc_shift(2), se_my_ncols+loc_shift(2), \n & 1+loc_shift(3)-n_adj, s3+loc_shift(3)+s_adj,\n & 1+loc_shift(4), s4+loc_shift(4))\n call store4 (sind, 8, 1+loc_shift(1), edis+loc_shift(1), \n & 1+loc_shift(2), se_my_ncols+loc_shift(2), \n & 1+loc_shift(3), sdis+loc_shift(3), 1+loc_shift(4), \n & s4+loc_shift(4))\n else if ((ldecomp(1) + ldecomp(4) .eq. 1) .and. \n & (ldecomp(4) .eq. 1) .and. (ldecomp(2) .eq. 0)) then\n call store4 (sind, 1, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & 1+loc_shift(2), se_my_ncols+loc_shift(2), \n & 1+loc_shift(3)-w_adj, s3+loc_shift(3)+e_adj,\n & 1+loc_shift(4), sdis+loc_shift(4))\n call store4 (sind, 2, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & 1+loc_shift(2), se_my_ncols+loc_shift(2), \n & s3-wdis+1+loc_shift(3), \n & s3+loc_shift(3), 1+loc_shift(4), \n & sdis+loc_shift(4))\n call store4 (sind, 3, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & 1+loc_shift(2), se_my_ncols+loc_shift(2), \n & s3-wdis+1+loc_shift(3), \n & s3+loc_shift(3), 1+loc_shift(4)-n_adj, \n & s4+loc_shift(4)+s_adj)\n call store4 (sind, 4, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & 1+loc_shift(2), se_my_ncols+loc_shift(2), \n & s3-wdis+1+loc_shift(3), \n & s3+loc_shift(3), \n & s4-ndis+1+loc_shift(4), \n & s4+loc_shift(4))\n call store4 (sind, 5, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & 1+loc_shift(2), se_my_ncols+loc_shift(2), \n & 1+loc_shift(3)-w_adj, s3+loc_shift(3)+e_adj,\n & s4-ndis+1+loc_shift(4), \n & s4+loc_shift(4))\n call store4 (sind, 6, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & 1+loc_shift(2), se_my_ncols+loc_shift(2), \n & 1+loc_shift(3), edis+loc_shift(3), \n & s4-ndis+1+loc_shift(4), \n & s4+loc_shift(4))\n call store4 (sind, 7, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & 1+loc_shift(2), se_my_ncols+loc_shift(2), \n & 1+loc_shift(3), edis+loc_shift(3), 1+loc_shift(4)-n_adj,\n & s4+loc_shift(4)+s_adj)\n call store4 (sind, 8, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & 1+loc_shift(2), se_my_ncols+loc_shift(2), \n & 1+loc_shift(3), edis+loc_shift(3), 1+loc_shift(4), \n & sdis+loc_shift(4))\n else if ((ldecomp(2) + ldecomp(4) .eq. 1) .and. \n & (ldecomp(4) .eq. 1) .and. (ldecomp(3) .eq. 0)) then\n call store4 (sind, 1, 1+loc_shift(1), sdis+loc_shift(1), \n & 1+loc_shift(2), se_my_ncols+loc_shift(2), \n & 1+loc_shift(3), s3+loc_shift(3), \n & 1+loc_shift(4)-w_adj, s4+loc_shift(4)+e_adj)\n call store4 (sind, 2, 1+loc_shift(1), sdis+loc_shift(1), \n & 1+loc_shift(2), se_my_ncols+loc_shift(2), \n & 1+loc_shift(3), s3+loc_shift(3), \n & s4-wdis+1+loc_shift(4), \n & s4+loc_shift(4))\n call store4 (sind, 3, 1+loc_shift(1)-n_adj, \n & se_my_nrows+loc_shift(1)+s_adj,\n & 1+loc_shift(2), se_my_ncols+loc_shift(2), \n & 1+loc_shift(3), s3+loc_shift(3), \n & s4-wdis+1+loc_shift(4), \n & s4+loc_shift(4))\n call store4 (sind, 4, se_my_nrows-ndis+1+loc_shift(1), \n & se_my_nrows+loc_shift(1), 1+loc_shift(2), \n & se_my_ncols+loc_shift(2), 1+loc_shift(3), \n & s3+loc_shift(3), \n & s4-wdis+1+loc_shift(4), \n & s4+loc_shift(4))\n call store4 (sind, 5, se_my_nrows-ndis+1+loc_shift(1), \n & se_my_nrows+loc_shift(1), 1+loc_shift(2), \n & se_my_ncols+loc_shift(2), 1+loc_shift(3)-w_adj,\n & s3+loc_shift(3)+e_adj, 1+loc_shift(4), \n & s4+loc_shift(4))\n call store4 (sind, 6, se_my_nrows-ndis+1+loc_shift(1), \n & se_my_nrows+loc_shift(1), 1+loc_shift(2), \n & se_my_ncols+loc_shift(2), 1+loc_shift(3), \n & s3+loc_shift(3), 1+loc_shift(4), \n & edis+loc_shift(4))\n call store4 (sind, 7, 1+loc_shift(1)-n_adj, \n & se_my_nrows+loc_shift(1)+s_adj,\n & 1+loc_shift(2), se_my_ncols+loc_shift(2), \n & 1+loc_shift(3), s3+loc_shift(3), \n & 1+loc_shift(4), edis+loc_shift(4))\n call store4 (sind, 8, 1+loc_shift(1), sdis+loc_shift(1), \n & 1+loc_shift(2), se_my_ncols+loc_shift(2), \n & 1+loc_shift(3), s3+loc_shift(3), \n & 1+loc_shift(4), edis+loc_shift(4))\n else\n call store4 (sind, 1, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & 1+loc_shift(2), sdis+loc_shift(2), 1+loc_shift(3), \n & s3+loc_shift(3), 1+loc_shift(4)-w_adj,\n & s4+loc_shift(4)+e_adj)\n call store4 (sind, 2, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & 1+loc_shift(2), sdis+loc_shift(2), 1+loc_shift(3), \n & s3+loc_shift(3), \n & s4-wdis+1+loc_shift(4), \n & s4+loc_shift(4))\n call store4 (sind, 3, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & 1+loc_shift(2)-n_adj, se_my_ncols+loc_shift(2)+s_adj,\n & 1+loc_shift(3), s3+loc_shift(3), \n & s4-wdis+1+loc_shift(4), \n & s4+loc_shift(4))\n call store4 (sind, 4, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & se_my_ncols-ndis+1+loc_shift(2), \n & se_my_ncols+loc_shift(2), 1+loc_shift(3), \n & s3+loc_shift(3), \n & s4-wdis+1+loc_shift(4), \n & s4+loc_shift(4))\n call store4 (sind, 5, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & se_my_ncols-ndis+1+loc_shift(2), \n & se_my_ncols+loc_shift(2), 1+loc_shift(3), \n & s3+loc_shift(3), 1+loc_shift(4)-w_adj, \n & s4+loc_shift(4)+e_adj)\n call store4 (sind, 6, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & se_my_ncols-ndis+1+loc_shift(2), \n & se_my_ncols+loc_shift(2), 1+loc_shift(3), \n & s3+loc_shift(3), 1+loc_shift(4), \n & edis+loc_shift(4))\n call store4 (sind, 7, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & 1+loc_shift(2)-n_adj, se_my_ncols+loc_shift(2)+s_adj,\n & 1+loc_shift(3), s3+loc_shift(3), \n & 1+loc_shift(4), edis+loc_shift(4))\n call store4 (sind, 8, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & 1+loc_shift(2), sdis+loc_shift(2), 1+loc_shift(3), \n & s3+loc_shift(3), 1+loc_shift(4), \n & edis+loc_shift(4))\n end if\n\n call se_corner_adjust (ndis, edis, sdis, wdis, 2,\n & n_adj, e_adj, s_adj, w_adj)\n\n! -- ( receiving ) determine ghost cells indexes configuration which\n! -- depends on spatial decomposition, type 1, 2, and 3, respectively\n if ((ldecomp(1) + ldecomp(3) .eq. 1) .and.\n & (ldecomp(1) .eq. 1) .and. (ldecomp(4) .eq. 0)) then\n call store4 (rind, 1, 1-ndis+loc_shift(1), loc_shift(1),\n & 1+loc_shift(2)-w_adj, se_my_ncols+loc_shift(2)+e_adj,\n & 1+loc_shift(3), s3+loc_shift(3), \n & 1+loc_shift(4), s4+loc_shift(4))\n call store4 (rind, 2, 1-ndis+loc_shift(1), loc_shift(1), \n & se_my_ncols+1+loc_shift(2), \n & se_my_ncols+edis+loc_shift(2), 1+loc_shift(3), \n & s3+loc_shift(3), 1+loc_shift(4),\n & s4+loc_shift(4))\n call store4 (rind, 3, 1+loc_shift(1)-n_adj,\n & se_my_nrows+loc_shift(1)+s_adj,\n & se_my_ncols+1+loc_shift(2),\n & se_my_ncols+edis+loc_shift(2), 1+loc_shift(3), \n & s3+loc_shift(3), 1+loc_shift(4),\n & s4+loc_shift(4))\n call store4 (rind, 4, se_my_nrows+1+loc_shift(1), \n & se_my_nrows+sdis+loc_shift(1), \n & se_my_ncols+1+loc_shift(2), \n & se_my_ncols+edis+loc_shift(2), 1+loc_shift(3), \n & s3+loc_shift(3), 1+loc_shift(4), \n & s4+loc_shift(4))\n call store4 (rind, 5, se_my_nrows+1+loc_shift(1),\n & se_my_nrows+sdis+loc_shift(1), 1+loc_shift(2)-w_adj,\n & se_my_ncols+loc_shift(2)+e_adj, 1+loc_shift(3), \n & s3+loc_shift(3), 1+loc_shift(4), \n & s4+loc_shift(4))\n call store4 (rind, 6, se_my_nrows+1+loc_shift(1), \n & se_my_nrows+sdis+loc_shift(1), 1-wdis+loc_shift(2), \n & loc_shift(2), 1+loc_shift(3), s3+loc_shift(3), \n & 1+loc_shift(4), s4+loc_shift(4))\n call store4 (rind, 7, 1+loc_shift(1)-n_adj,\n & se_my_nrows+loc_shift(1)+s_adj,\n & 1-wdis+loc_shift(2), loc_shift(2), 1+loc_shift(3), \n & s3+loc_shift(3), 1+loc_shift(4), \n & s4+loc_shift(4))\n call store4 (rind, 8, 1-ndis+loc_shift(1), loc_shift(1), \n & 1-wdis+loc_shift(2), loc_shift(2), 1+loc_shift(3), \n & s3+loc_shift(3), 1+loc_shift(4), \n & s4+loc_shift(4))\n else if ((ldecomp(2) + ldecomp(4) .eq. 1) .and.\n & (ldecomp(2) .eq. 1) .and. (ldecomp(1) .eq. 0)) then\n call store4 (rind, 1, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & 1-ndis+loc_shift(2), loc_shift(2), 1+loc_shift(3)-w_adj,\n & s3+loc_shift(3)+e_adj, 1+loc_shift(4), \n & s4+loc_shift(4))\n call store4 (rind, 2, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & 1-ndis+loc_shift(2), loc_shift(2), \n & s3+1+loc_shift(3), \n & s3+edis+loc_shift(3), 1+loc_shift(4), \n & s4+loc_shift(4))\n call store4 (rind, 3, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & 1+loc_shift(2)-n_adj, se_my_ncols+loc_shift(2)+s_adj,\n & s3+1+loc_shift(3), \n & s3+edis+loc_shift(3), 1+loc_shift(4), \n & s4+loc_shift(4))\n call store4 (rind, 4, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & se_my_ncols+1+loc_shift(2), \n & se_my_ncols+sdis+loc_shift(2), \n & s3+1+loc_shift(3), \n & s3+edis+loc_shift(3), 1+loc_shift(4), \n & s4+loc_shift(4))\n call store4 (rind, 5, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & se_my_ncols+1+loc_shift(2), \n & se_my_ncols+sdis+loc_shift(2), 1+loc_shift(3)-w_adj, \n & s3+loc_shift(3)+e_adj, 1+loc_shift(4),\n & s4+loc_shift(4))\n call store4 (rind, 6, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & se_my_ncols+1+loc_shift(2), \n & se_my_ncols+sdis+loc_shift(2), 1-wdis+loc_shift(3), \n & loc_shift(3), 1+loc_shift(4), s4+loc_shift(4))\n call store4 (rind, 7, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & 1+loc_shift(2)-n_adj, se_my_ncols+loc_shift(2)+s_adj,\n & 1-wdis+loc_shift(3), loc_shift(3), 1+loc_shift(4), \n & s4+loc_shift(4))\n call store4 (rind, 8, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & 1-ndis+loc_shift(2), loc_shift(2), 1-wdis+loc_shift(3), \n & loc_shift(3), 1+loc_shift(4), s4+loc_shift(4))\n else if ((ldecomp(3) + ldecomp(4) .eq. 1) .and.\n & (ldecomp(3) .eq. 1) .and. (ldecomp(2) .eq. 0)) then\n call store4 (rind, 1, 1+loc_shift(1)-w_adj, \n & se_my_nrows+loc_shift(1)+e_adj,\n & 1+loc_shift(2), se_my_ncols+loc_shift(2), \n & 1-ndis+loc_shift(3), loc_shift(3), 1+loc_shift(4), \n & s4+loc_shift(4))\n call store4 (rind, 2, se_my_nrows+1+loc_shift(1), \n & se_my_nrows+edis+loc_shift(1), 1+loc_shift(2), \n & se_my_ncols+loc_shift(2), 1-ndis+loc_shift(3), \n & loc_shift(3), 1+loc_shift(4), s4+loc_shift(4))\n call store4 (rind, 3, se_my_nrows+1+loc_shift(1), \n & se_my_nrows+edis+loc_shift(1), 1+loc_shift(2), \n & se_my_ncols+loc_shift(2), 1+loc_shift(3)-n_adj, \n & s3+loc_shift(3)+s_adj, 1+loc_shift(4), \n & s4+loc_shift(4))\n call store4 (rind, 4, se_my_nrows+1+loc_shift(1), \n & se_my_nrows+edis+loc_shift(1), 1+loc_shift(2), \n & se_my_ncols+loc_shift(2), s3+1+loc_shift(3), \n & s3+sdis+loc_shift(3), 1+loc_shift(4), \n & s4+loc_shift(4))\n call store4 (rind, 5, 1+loc_shift(1)-w_adj, \n & se_my_nrows+loc_shift(1)+e_adj,\n & 1+loc_shift(2), se_my_ncols+loc_shift(2), \n & s3+1+loc_shift(3), \n & s3+sdis+loc_shift(3), 1+loc_shift(4), \n & s4+loc_shift(4))\n call store4 (rind, 6, 1-wdis+loc_shift(1), loc_shift(1), \n & 1+loc_shift(2), se_my_ncols+loc_shift(2), \n & s3+1+loc_shift(3), \n & s3+sdis+loc_shift(3), 1+loc_shift(4), \n & s4+loc_shift(4))\n call store4 (rind, 7, 1-wdis+loc_shift(1), loc_shift(1), \n & 1+loc_shift(2), se_my_ncols+loc_shift(2), \n & 1+loc_shift(3)-n_adj, s3+loc_shift(3)+s_adj,\n & 1+loc_shift(4), s4+loc_shift(4))\n call store4 (rind, 8, 1-wdis+loc_shift(1), loc_shift(1), \n & 1+loc_shift(2), se_my_ncols+loc_shift(2), \n & 1-ndis+loc_shift(3), loc_shift(3), 1+loc_shift(4), \n & s4+loc_shift(4))\n else if ((ldecomp(1) + ldecomp(4) .eq. 1) .and.\n & (ldecomp(4) .eq. 1) .and. (ldecomp(2) .eq. 0)) then\n call store4 (rind, 1, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & 1+loc_shift(2), se_my_ncols+loc_shift(2), \n & 1+loc_shift(3)-w_adj, s3+loc_shift(3)+e_adj,\n & 1-ndis+loc_shift(4), loc_shift(4))\n call store4 (rind, 2, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & 1+loc_shift(2), se_my_ncols+loc_shift(2), \n & s3+1+loc_shift(3), \n & s3+edis+loc_shift(3), 1-ndis+loc_shift(4), \n & loc_shift(4))\n call store4 (rind, 3, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & 1+loc_shift(2), se_my_ncols+loc_shift(2), \n & s3+1+loc_shift(3), \n & s3+edis+loc_shift(3), 1+loc_shift(4)-n_adj, \n & s4+loc_shift(4)+s_adj)\n call store4 (rind, 4, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & 1+loc_shift(2), se_my_ncols+loc_shift(2), \n & s3+1+loc_shift(3), \n & s3+edis+loc_shift(3), \n & s4+1+loc_shift(4), \n & s4+sdis+loc_shift(4))\n call store4 (rind, 5, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & 1+loc_shift(2), se_my_ncols+loc_shift(2), \n & 1+loc_shift(3)-w_adj, s3+loc_shift(3)+e_adj,\n & s4+1+loc_shift(4), \n & s4+sdis+loc_shift(4))\n call store4 (rind, 6, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & 1+loc_shift(2), se_my_ncols+loc_shift(2), \n & 1-wdis+loc_shift(3), loc_shift(3), \n & s4+1+loc_shift(4), \n & s4+sdis+loc_shift(4))\n call store4 (rind, 7, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & 1+loc_shift(2), se_my_ncols+loc_shift(2), \n & 1-wdis+loc_shift(3), loc_shift(3), 1+loc_shift(4)-n_adj,\n & s4+loc_shift(4)+s_adj)\n call store4 (rind, 8, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & 1+loc_shift(2), se_my_ncols+loc_shift(2), \n & 1-wdis+loc_shift(3), loc_shift(3), 1-ndis+loc_shift(4), \n & loc_shift(4))\n else if ((ldecomp(2) + ldecomp(4) .eq. 1) .and.\n & (ldecomp(4) .eq. 1) .and. (ldecomp(3) .eq. 0)) then\n call store4 (rind, 1, 1-ndis+loc_shift(1), loc_shift(1), \n & 1+loc_shift(2), se_my_ncols+loc_shift(2), \n & 1+loc_shift(3), s3+loc_shift(3), \n & 1+loc_shift(4)-w_adj, s4+loc_shift(4)+e_adj)\n call store4 (rind, 2, 1-ndis+loc_shift(1), loc_shift(1), \n & 1+loc_shift(2), se_my_ncols+loc_shift(2), \n & 1+loc_shift(3), s3+loc_shift(3), \n & s4+1+loc_shift(4), \n & s4+edis+loc_shift(4))\n call store4 (rind, 3, 1+loc_shift(1)-n_adj, \n & se_my_nrows+loc_shift(1)+s_adj,\n & 1+loc_shift(2), se_my_ncols+loc_shift(2), \n & 1+loc_shift(3), s3+loc_shift(3), \n & s4+1+loc_shift(4), \n & s4+edis+loc_shift(4))\n call store4 (rind, 4, se_my_nrows+1+loc_shift(1), \n & se_my_nrows+sdis+loc_shift(1), 1+loc_shift(2), \n & se_my_ncols+loc_shift(2), 1+loc_shift(3), \n & s3+loc_shift(3), s4+1+loc_shift(4), \n & s4+edis+loc_shift(4))\n call store4 (rind, 5, se_my_nrows+1+loc_shift(1), \n & se_my_nrows+sdis+loc_shift(1), 1+loc_shift(2), \n & se_my_ncols+loc_shift(2), 1+loc_shift(3), \n & s3+loc_shift(3), 1+loc_shift(4)-w_adj,\n & s4+loc_shift(4)+e_adj)\n call store4 (rind, 6, se_my_nrows+1+loc_shift(1), \n & se_my_nrows+sdis+loc_shift(1), 1+loc_shift(2), \n & se_my_ncols+loc_shift(2), 1+loc_shift(3), \n & s3+loc_shift(3), 1-wdis+loc_shift(4), \n & loc_shift(4))\n call store4 (rind, 7, 1+loc_shift(1)-n_adj, \n & se_my_nrows+loc_shift(1)+s_adj,\n & 1+loc_shift(2), se_my_ncols+loc_shift(2), \n & 1+loc_shift(3), s3+loc_shift(3), \n & 1-wdis+loc_shift(4), loc_shift(4))\n call store4 (rind, 8, 1-ndis+loc_shift(1), loc_shift(1), \n & 1+loc_shift(2), se_my_ncols+loc_shift(2), \n & 1+loc_shift(3), s3+loc_shift(3), \n & 1-wdis+loc_shift(4), loc_shift(4))\n else\n call store4 (rind, 1, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & 1-ndis+loc_shift(2), loc_shift(2), 1+loc_shift(3), \n & s3+loc_shift(3), 1+loc_shift(4)-w_adj,\n & s4+loc_shift(4)+e_adj)\n call store4 (rind, 2, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & 1-ndis+loc_shift(2), loc_shift(2), 1+loc_shift(3), \n & s3+loc_shift(3), s4+1+loc_shift(4), \n & s4+edis+loc_shift(4))\n call store4 (rind, 3, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & 1+loc_shift(2)-n_adj, se_my_ncols+loc_shift(2)+s_adj,\n & 1+loc_shift(3), s3+loc_shift(3), \n & s4+1+loc_shift(4), \n & s4+edis+loc_shift(4))\n call store4 (rind, 4, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & se_my_ncols+1+loc_shift(2), \n & se_my_ncols+sdis+loc_shift(2), 1+loc_shift(3), \n & s3+loc_shift(3), s4+1+loc_shift(4), \n & s4+edis+loc_shift(4))\n call store4 (rind, 5, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & se_my_ncols+1+loc_shift(2), \n & se_my_ncols+sdis+loc_shift(2), 1+loc_shift(3), \n & s3+loc_shift(3), 1+loc_shift(4)-w_adj,\n & s4+loc_shift(4)+e_adj)\n call store4 (rind, 6, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & se_my_ncols+1+loc_shift(2), \n & se_my_ncols+sdis+loc_shift(2), 1+loc_shift(3), \n & s3+loc_shift(3), 1-wdis+loc_shift(4), \n & loc_shift(4))\n call store4 (rind, 7, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & 1+loc_shift(2)-n_adj, se_my_ncols+loc_shift(2)+s_adj,\n & 1+loc_shift(3), s3+loc_shift(3), \n & 1-wdis+loc_shift(4), loc_shift(4))\n call store4 (rind, 8, 1+loc_shift(1), se_my_nrows+loc_shift(1), \n & 1-ndis+loc_shift(2), loc_shift(2), 1+loc_shift(3), \n & s3+loc_shift(3), 1-wdis+loc_shift(4), \n & loc_shift(4))\n end if\n\n! if ((se_data_ori .eq. \"cr\") .or. (se_data_ori .eq. \"CR\")) then\n do i = 1, 8\n call swap (sind(1,1,i), sind(1,2,i))\n call swap (sind(2,1,i), sind(2,2,i))\n call swap (rind(1,1,i), rind(1,2,i))\n call swap (rind(2,1,i), rind(2,2,i))\n end do\n! end if\n\n return\n end subroutine se_up_low4\n\n! --------------------------------------------------------------------------\n! Purpose:\n!\n! to store low and high array indexes of a given domain with ghost cells\n!\n! Revision history:\n!\n! Orginal version: 7/28/98 by David Wong\n! 11/05/99 by David Wong\n! -- recode the code using F90 syntax\n!\n! Subroutine parameter description:\n!\n! In: direction -- communication direction\n! i1 -- low index of I dimension\n! i2 -- high index of I dimension\n! j1 -- low index of J dimension\n! j2 -- high index of J dimension\n! k1 -- low index of K dimension\n! k2 -- high index of K dimension\n! l1 -- low index of L dimension\n! l2 -- high index of L dimension\n!\n! Out: array -- array with low and high indexes of each dimension\n! --------------------------------------------------------------------------\n\n subroutine store4 (array, dir, i1, i2, j1, j2, k1, k2, l1, l2)\n\n integer, intent(out) :: array (2,4,8) \n integer, intent(in) :: dir, i1, i2, j1, j2, k1, k2, l1, l2\n\n array(1,1,dir) = i1\n array(2,1,dir) = i2\n array(1,2,dir) = j1\n array(2,2,dir) = j2\n array(1,3,dir) = k1\n array(2,3,dir) = k2\n array(1,4,dir) = l1\n array(2,4,dir) = l2\n\n return\n end subroutine store4\n\n! --------------------------------------------------------------------------\n\n subroutine se_up_low5 (dispstr, sind, rind, shift, num_shift, s1, s2, s3)\n\n use se_domain_info_ext\n use se_comm_info_ext\n! use se_ori_ext\n use se_internal_util_module\n\n use se_pe_info_ext\n\n implicit none\n\n integer, intent(inout) :: sind(2,5,8), rind(2,5,8)\n character (len = 12), intent(in) :: dispstr\n integer, intent(in) :: shift(10), num_shift, s1, s2, s3\n\n integer :: ndis, edis, sdis, wdis, loc_shift(5), i\n integer :: ldecomp(4)\n integer :: n_adj, e_adj, s_adj, w_adj\n\n if (num_shift .gt. 0) then\n if (shift(1) .eq. 1) then\n loc_shift(1) = 1 - shift(4)\n loc_shift(2) = 1 - shift(2)\n else\n loc_shift(1) = 1 - shift(2)\n loc_shift(2) = 1 - shift(4)\n end if\n loc_shift(3) = 1 - shift(6)\n loc_shift(4) = 1 - shift(8)\n loc_shift(5) = 1 - shift(10)\n else\n loc_shift(1:5) = 0\n end if\n\n read (se_decompstr, 15) (ldecomp(i), i=1, 4)\n 15 format (8i2)\n\n read (dispstr, 20) sdis, edis, ndis, wdis\n 20 format (4i3)\n\n call se_corner_adjust (ndis, edis, sdis, wdis, 1,\n & n_adj, e_adj, s_adj, w_adj)\n\n! -- ( sending ) determine ghost cells indexes configuration which\n! -- depends on spatial decomposition type 1, 2, 3, 4, 5, and 6, respectively\n if ((ldecomp(1) + ldecomp(3) .eq. 1) .and. \n & (ldecomp(1) .eq. 1) .and. (ldecomp(4) .eq. 0)) then\n call store5 (sind, 1, 1+loc_shift(1), sdis+loc_shift(1),\n & 1+loc_shift(2)-w_adj, se_my_ncols+loc_shift(2)+e_adj,\n & 1+loc_shift(3), s1+loc_shift(3), \n & 1+loc_shift(4), s2+loc_shift(4), \n & 1+loc_shift(5), s3+loc_shift(5))\n call store5 (sind, 2, 1+loc_shift(1), sdis+loc_shift(1),\n & se_my_ncols-wdis+1+loc_shift(2),\n & se_my_ncols+loc_shift(2), 1+loc_shift(3), \n & s1+loc_shift(3), 1+loc_shift(4), \n & s2+loc_shift(4), 1+loc_shift(5), \n & s3+loc_shift(5))\n call store5 (sind, 3, 1+loc_shift(1)-n_adj,\n & se_my_nrows+loc_shift(1)+s_adj,\n & se_my_ncols-wdis+1+loc_shift(2),\n & se_my_ncols+loc_shift(2), 1+loc_shift(3), \n & s1+loc_shift(3), 1+loc_shift(4), \n & s2+loc_shift(4), 1+loc_shift(5), \n & s3+loc_shift(5))\n call store5 (sind, 4, se_my_nrows-ndis+1+loc_shift(1), \n & se_my_nrows+loc_shift(1), \n & se_my_ncols-wdis+1+loc_shift(2), \n & se_my_ncols+loc_shift(2), 1+loc_shift(3), \n & s1+loc_shift(3), 1+loc_shift(4), \n & s2+loc_shift(4), 1+loc_shift(5), \n & s3+loc_shift(5))\n call store5 (sind, 5, se_my_nrows-ndis+1+loc_shift(1),\n & se_my_nrows+loc_shift(1), 1+loc_shift(2)-w_adj,\n & se_my_ncols+loc_shift(2)+e_adj, 1+loc_shift(3), \n & s1+loc_shift(3), 1+loc_shift(4), \n & s2+loc_shift(4), 1+loc_shift(5), \n & s3+loc_shift(5))\n call store5 (sind, 6, se_my_nrows-ndis+1+loc_shift(1), \n & se_my_nrows+loc_shift(1), 1+loc_shift(2), \n & edis+loc_shift(2), 1+loc_shift(3), \n & s1+loc_shift(3), 1+loc_shift(4), \n & s2+loc_shift(4), 1+loc_shift(5), \n & s3+loc_shift(5))\n call store5 (sind, 7, 1+loc_shift(1)-n_adj,\n & se_my_nrows+loc_shift(1)+s_adj,\n & 1+loc_shift(2), edis+loc_shift(2), 1+loc_shift(3), \n & s1+loc_shift(3), 1+loc_shift(4), \n & s2+loc_shift(4), 1+loc_shift(5), \n & s3+loc_shift(5))\n call store5 (sind, 8, 1+loc_shift(1), sdis+loc_shift(1), \n & 1+loc_shift(2), edis+loc_shift(2), 1+loc_shift(3), \n & s1+loc_shift(3), 1+loc_shift(4), \n & s2+loc_shift(4), 1+loc_shift(5), \n & s3+loc_shift(5))\n else\n print *, ' ==d== comm5 unknown pattern '\n stop\n end if\n\n call se_corner_adjust (ndis, edis, sdis, wdis, 2,\n & n_adj, e_adj, s_adj, w_adj)\n\n! -- ( receiving ) determine ghost cells indexes configuration which\n! -- depends on spatial decomposition, type 1, 2, and 3, respectively\n if ((ldecomp(1) + ldecomp(3) .eq. 1) .and.\n & (ldecomp(1) .eq. 1) .and. (ldecomp(4) .eq. 0)) then\n call store5 (rind, 1, 1-ndis+loc_shift(1), loc_shift(1),\n & 1+loc_shift(2)-w_adj, se_my_ncols+loc_shift(2)+e_adj,\n & 1+loc_shift(3), s1+loc_shift(3), \n & 1+loc_shift(4), s2+loc_shift(4), \n & 1+loc_shift(5), s3+loc_shift(5))\n call store5 (rind, 2, 1-ndis+loc_shift(1), loc_shift(1), \n & se_my_ncols+1+loc_shift(2), \n & se_my_ncols+edis+loc_shift(2), 1+loc_shift(3), \n & s1+loc_shift(3), 1+loc_shift(4),\n & s2+loc_shift(4), 1+loc_shift(5),\n & s3+loc_shift(5))\n call store5 (rind, 3, 1+loc_shift(1)-n_adj,\n & se_my_nrows+loc_shift(1)+s_adj,\n & se_my_ncols+1+loc_shift(2),\n & se_my_ncols+edis+loc_shift(2), 1+loc_shift(3), \n & s1+loc_shift(3), 1+loc_shift(4),\n & s2+loc_shift(4), 1+loc_shift(5),\n & s3+loc_shift(5))\n call store5 (rind, 4, se_my_nrows+1+loc_shift(1), \n & se_my_nrows+sdis+loc_shift(1), \n & se_my_ncols+1+loc_shift(2), \n & se_my_ncols+edis+loc_shift(2), 1+loc_shift(3), \n & s1+loc_shift(3), 1+loc_shift(4), \n & s2+loc_shift(4), 1+loc_shift(5), \n & s3+loc_shift(5))\n call store5 (rind, 5, se_my_nrows+1+loc_shift(1),\n & se_my_nrows+sdis+loc_shift(1), 1+loc_shift(2)-w_adj,\n & se_my_ncols+loc_shift(2)+e_adj, 1+loc_shift(3), \n & s1+loc_shift(3), 1+loc_shift(4), \n & s2+loc_shift(4), 1+loc_shift(5), \n & s3+loc_shift(5))\n call store5 (rind, 6, se_my_nrows+1+loc_shift(1), \n & se_my_nrows+sdis+loc_shift(1), 1-wdis+loc_shift(2), \n & loc_shift(2), 1+loc_shift(3), s1+loc_shift(3), \n & 1+loc_shift(4), s2+loc_shift(4),\n & 1+loc_shift(5), s3+loc_shift(5))\n call store5 (rind, 7, 1+loc_shift(1)-n_adj,\n & se_my_nrows+loc_shift(1)+s_adj,\n & 1-wdis+loc_shift(2), loc_shift(2), 1+loc_shift(3), \n & s1+loc_shift(3), 1+loc_shift(4), \n & s2+loc_shift(4), 1+loc_shift(5), \n & s3+loc_shift(5))\n call store5 (rind, 8, 1-ndis+loc_shift(1), loc_shift(1), \n & 1-wdis+loc_shift(2), loc_shift(2), 1+loc_shift(3), \n & s1+loc_shift(3), 1+loc_shift(4), \n & s2+loc_shift(4), 1+loc_shift(5), \n & s3+loc_shift(5))\n else\n print *, ' ==d== comm5 unknown pattern '\n stop\n end if\n\n do i = 1, 8\n call swap (sind(1,1,i), sind(1,2,i))\n call swap (sind(2,1,i), sind(2,2,i))\n call swap (rind(1,1,i), rind(1,2,i))\n call swap (rind(2,1,i), rind(2,2,i))\n end do\n\n end subroutine se_up_low5\n\n! --------------------------------------------------------------------------\n subroutine store5 (array, dir, i1, i2, j1, j2, k1, k2, l1, l2, m1, m2)\n\n integer, intent(out) :: array (2,5,8) \n integer, intent(in) :: dir, i1, i2, j1, j2, k1, k2, l1, l2, m1, m2\n\n array(1,1,dir) = i1\n array(2,1,dir) = i2\n array(1,2,dir) = j1\n array(2,2,dir) = j2\n array(1,3,dir) = k1\n array(2,3,dir) = k2\n array(1,4,dir) = l1\n array(2,4,dir) = l2\n array(1,5,dir) = m1\n array(2,5,dir) = m2\n\n end subroutine store5\n\n end module se_comm_module\n" }, { "path": "CCTM/src/STENEX/se/se_data_copy_module.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/work/rep/STENEX/src/se_snl/se_data_copy_module.f,v 1.2 2006/02/15 14:41:56 yoj Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC use F90 interface feature to achieve \"faked\" polymorphism for data\nC copy routine which performs interior sub-grid data communication (data \nC re-distribution)\nC\nC Revision history:\nC\nC Orginal version: 11/05/99 by David Wong\nC\nC 10/09/00 by David Wong\nC -- unified fsg and csg data structures into one,\nC subgrid\nC\nC 07/23/01 by David Wong\nC -- redesign the message sending and receiving algorithm\nC\nC 03/06/02 David Wong\nC -- use blocking communication scheme\nC -- use array copy mechanism when communicates to itself\nC\nC 12/04/02 by David Wong\nC -- modified the routine to accommodate worker and\nC I/O processors partition scheme\nC\nC 01/04/23 by David Wong\nC -- modified routines to handle any level range setting\nC defined by PA_BLEV PA_ELEV in the run script properly\nC\nC 01/17/24 by David Wong\nC -- fixed a bug that IRR/IPR process alllows a subset of\nC level, a..b, where 1 <= a <= b <= NLAYS\nC\nC Note:\nC\nC se_[n]d[e]_data_copy where [n] denotes the dimensionality of the data\nC and [e] is optional, indicates the first two dimensions are both decomposed\nC or not\nC\nC Subroutine parameter description:\nC\nC In: data1 -- original data\nC spc -- (use as needed) a specific species in the original data\nC des -- (use as needed) species number in the recipient data\nC grid_type -- optional input, to indicate the data is from coarse\nC grid 'c', 'C' or not\nC\nC Out: data2 -- recipient of original data\nC\nC Local variable description:\nC\nC sdir, rdir -- loop indexes which indicate send to or recvd from\nC tag -- message tag\nC i -- local loop index\nC\nC Include file:\nC\nC se_pe_info_ext\nC se_data_send_module\nC se_data_recv_module\nC\nC --------------------------------------------------------------------------\n\n module se_data_copy_module\n\n implicit none\n\n interface se_data_copy\n module procedure se_2d_data_copy, se_2de_data_copy, \n & se_3d_data_copy, se_3de_data_copy, \n & se_4d_data_copy, se_4de_data_copy\n end interface\n\n contains\n\nC --------------------------------------------------------------------------\n subroutine se_2d_data_copy (data1, data2)\n\n use se_subgrid_info_ext\n use se_pe_info_ext\n use se_data_send_module\n use se_data_recv_module\n\n implicit none\n\n include \"mpif.h\"\n\n real, intent(in) :: data1(:, :)\n real, intent(out) :: data2(:, :)\n\n integer :: sdir, rdir, tag\n integer :: request, status(MPI_STATUS_SIZE), error\n\n do sdir = 0, se_numworkers-1\n\n if (se_subgrid_send(sdir) .eq. se_myworker_pe) then\n\n data2(se_subgrid_recv_ind(1,1,sdir):se_subgrid_recv_ind(2,1,sdir),\n $ se_subgrid_recv_ind(1,2,sdir):se_subgrid_recv_ind(2,2,sdir))\n $ =\n $ data1(se_subgrid_send_ind(1,1,sdir):se_subgrid_send_ind(2,1,sdir),\n $ se_subgrid_send_ind(1,2,sdir):se_subgrid_send_ind(2,2,sdir))\n\n else\n\n if (se_subgrid_send(sdir) .ge. 0) then\n tag = sdir+se_myworker_pe\n call se_data_send (data1, se_subgrid_send_ind_ptr, \n & se_subgrid_send_ptr, sdir, tag, request)\n end if\n\n if ((se_subgrid_recv(sdir) .ge. 0) .and.\n & (se_subgrid_recv(sdir) .ne. se_myworker_pe)) then\n tag = sdir+se_myworker_pe\n call se_data_recv (data2, se_subgrid_recv_ind_ptr, \n & se_subgrid_recv_ptr, sdir, tag)\n end if\n\nc if (se_subgrid_send(sdir) .ge. 0) then\nc call mpi_wait (request, status, error)\nc end if\n\n end if\n end do\n\n return\n end subroutine se_2d_data_copy\n\nC --------------------------------------------------------------------------\n subroutine se_2de_data_copy (data1, data2, spc)\n\n use se_subgrid_info_ext\n use se_pe_info_ext\n use se_data_send_module\n use se_data_recv_module\n\n implicit none\n\n include \"mpif.h\"\n\n real, intent(in) :: data1(:, :, :)\n real, intent(out) :: data2(:, :)\n integer, intent(in) :: spc\n\n integer :: i, sdir, rdir, tag\n integer :: request, status(MPI_STATUS_SIZE), error\n\n do i = 0, se_numworkers-1\n se_subgrid_send_ind(1,3,i) = spc\n se_subgrid_send_ind(2,3,i) = spc\n end do\n\n do sdir = 0, se_numworkers-1\n\n if (se_subgrid_send(sdir) .eq. se_myworker_pe) then\n\n data2(se_subgrid_recv_ind(1,1,sdir):se_subgrid_recv_ind(2,1,sdir),\n $ se_subgrid_recv_ind(1,2,sdir):se_subgrid_recv_ind(2,2,sdir))\n $ =\n $ data1(se_subgrid_send_ind(1,1,sdir):se_subgrid_send_ind(2,1,sdir),\n $ se_subgrid_send_ind(1,2,sdir):se_subgrid_send_ind(2,2,sdir),\n $ se_subgrid_send_ind(1,3,sdir))\n\n else\n\n if (se_subgrid_send(sdir) .ge. 0) then\n tag = sdir+se_myworker_pe\n call se_data_send (data1, se_subgrid_send_ind_ptr, \n & se_subgrid_send_ptr, sdir, tag, request)\n end if\n\n if ((se_subgrid_recv(sdir) .ge. 0) .and.\n & (se_subgrid_recv(sdir) .ne. se_myworker_pe)) then\n tag = sdir+se_myworker_pe\n call se_data_recv (data2, se_subgrid_recv_ind_ptr, \n & se_subgrid_recv_ptr, sdir, tag)\n end if\n\nc if (se_subgrid_send(sdir) .ge. 0) then\nc call mpi_wait (request, status, error)\nc end if\n\n end if\n end do\n\n return\n end subroutine se_2de_data_copy\n\nC --------------------------------------------------------------------------\n subroutine se_3d_data_copy (data1, data2)\n\n use se_subgrid_info_ext\n use se_domain_info_ext\n use se_pe_info_ext\n use se_data_send_module\n use se_data_recv_module\n\n implicit none\n\n include \"mpif.h\"\n\n real, intent(in) :: data1(:, :, :)\n real, intent(out) :: data2(:, :, :)\n\n integer :: i, sdir, rdir, tag\n integer :: request, status(MPI_STATUS_SIZE), error\n\n do i = 0, se_numworkers-1\n se_subgrid_send_ind(1,3,i) = se_my_subgrid_beglev\n se_subgrid_send_ind(2,3,i) = se_my_subgrid_endlev\n se_subgrid_recv_ind(1,3,i) = 1\n se_subgrid_recv_ind(2,3,i) = se_my_subgrid_endlev - se_my_subgrid_beglev + 1\n end do\n\n do sdir = 0, se_numworkers-1\n\n if (se_subgrid_send(sdir) .eq. se_myworker_pe) then\n\n data2(se_subgrid_recv_ind(1,1,sdir):se_subgrid_recv_ind(2,1,sdir),\n & se_subgrid_recv_ind(1,2,sdir):se_subgrid_recv_ind(2,2,sdir),\n & se_subgrid_recv_ind(1,3,sdir):se_subgrid_recv_ind(2,3,sdir))\n & =\n & data1(se_subgrid_send_ind(1,1,sdir):se_subgrid_send_ind(2,1,sdir),\n & se_subgrid_send_ind(1,2,sdir):se_subgrid_send_ind(2,2,sdir),\n & se_subgrid_send_ind(1,3,sdir):se_subgrid_send_ind(2,3,sdir))\n\n else\n\n if (se_subgrid_send(sdir) .ge. 0) then\n tag = sdir+se_myworker_pe\n call se_data_send (data1, se_subgrid_send_ind_ptr,\n & se_subgrid_send_ptr, sdir, tag, request)\n end if\n\n if ((se_subgrid_recv(sdir) .ge. 0) .and.\n & (se_subgrid_recv(sdir) .ne. se_myworker_pe)) then\n tag = sdir+se_myworker_pe\n call se_data_recv (data2, se_subgrid_recv_ind_ptr,\n & se_subgrid_recv_ptr, sdir, tag)\n end if\n\nc if (se_subgrid_send(sdir) .ge. 0) then\nc call mpi_wait (request, status, error)\nc end if\n\n end if\n\n end do\n\n return\n end subroutine se_3d_data_copy\n\nC --------------------------------------------------------------------------\n subroutine se_3de_data_copy (data1, data2, spc, flag)\n\n use se_subgrid_info_ext\n use se_pe_info_ext\n use se_data_send_module\n use se_data_recv_module\n\n implicit none\n\n include \"mpif.h\"\n\n real, intent(in) :: data1(:, :, :, :)\n real, intent(out) :: data2(:, :, :)\n integer, intent(in) :: spc\n integer, intent(in), optional :: flag\n\n integer :: i, sdir, rdir, tag, loc_beglev, loc_endlev\n integer :: request, status(MPI_STATUS_SIZE), error\n\n if (present(flag)) then\n ! this indicates data1 is in subset level configuration and\n ! indiex starting from 1\n loc_beglev = 1\n loc_endlev = se_my_subgrid_endlev - se_my_subgrid_beglev + 1\n else\n loc_beglev = se_my_subgrid_beglev\n loc_endlev = se_my_subgrid_endlev\n end if\n\n do i = 0, se_numworkers-1\n se_subgrid_send_ind(1,3,i) = loc_beglev\n se_subgrid_send_ind(2,3,i) = loc_endlev\n se_subgrid_send_ind(1,4,i) = spc\n se_subgrid_send_ind(2,4,i) = spc\n\n se_subgrid_recv_ind(1,3,i) = 1\n se_subgrid_recv_ind(2,3,i) = se_my_subgrid_endlev - se_my_subgrid_beglev + 1\n end do\n\n do sdir = 0, se_numworkers-1\n\n if (se_subgrid_send(sdir) .eq. se_myworker_pe) then\n\n data2(se_subgrid_recv_ind(1,1,sdir):se_subgrid_recv_ind(2,1,sdir),\n & se_subgrid_recv_ind(1,2,sdir):se_subgrid_recv_ind(2,2,sdir),\n & se_subgrid_recv_ind(1,3,sdir):se_subgrid_recv_ind(2,3,sdir))\n & =\n & data1(se_subgrid_send_ind(1,1,sdir):se_subgrid_send_ind(2,1,sdir),\n & se_subgrid_send_ind(1,2,sdir):se_subgrid_send_ind(2,2,sdir),\n & se_subgrid_send_ind(1,3,sdir):se_subgrid_send_ind(2,3,sdir),\n & se_subgrid_send_ind(1,4,sdir))\n\n else\n\n if (se_subgrid_send(sdir) .ge. 0) then\n tag = sdir+se_myworker_pe\n call se_data_send (data1, se_subgrid_send_ind_ptr, \n & se_subgrid_send_ptr, sdir, tag, request)\n end if\n\n if ((se_subgrid_recv(sdir) .ge. 0) .and.\n & (se_subgrid_recv(sdir) .ne. se_myworker_pe)) then\n tag = sdir+se_myworker_pe\n call se_data_recv (data2, se_subgrid_recv_ind_ptr, \n & se_subgrid_recv_ptr, sdir, tag)\n end if\n\nc if (se_subgrid_send(sdir) .ge. 0) then\nc call mpi_wait (request, status, error)\nc end if\n\n end if\n end do\n\n return\n end subroutine se_3de_data_copy\n\nC --------------------------------------------------------------------------\n subroutine se_4d_data_copy (data1, data2)\n\n use se_subgrid_info_ext\n use se_pe_info_ext\n use se_domain_info_ext\n use se_data_send_module\n use se_data_recv_module\n\n implicit none\n\n include \"mpif.h\"\n\n real, intent(in) :: data1(:, :, :, :)\n real, intent(out) :: data2(:, :, :, :)\n\n integer :: i, sdir, rdir, tag\n integer :: request, status(MPI_STATUS_SIZE), error\n\n do i = 0, se_numworkers-1\n se_subgrid_send_ind(1,3,i) = 1\n se_subgrid_send_ind(2,3,i) = se_my_nlays\n se_subgrid_send_ind(1,4,i) = 1\n se_subgrid_send_ind(2,4,i) = se_my_nspcs\n se_subgrid_recv_ind(1,3,i) = 1\n se_subgrid_recv_ind(2,3,i) = se_my_nlays\n se_subgrid_recv_ind(1,4,i) = 1\n se_subgrid_recv_ind(2,4,i) = se_my_nspcs\n end do\n\n do sdir = 0, se_numworkers-1\n\n if (se_subgrid_send(sdir) .eq. se_myworker_pe) then\n\n data2(se_subgrid_recv_ind(1,1,sdir):se_subgrid_recv_ind(2,1,sdir),\n & se_subgrid_recv_ind(1,2,sdir):se_subgrid_recv_ind(2,2,sdir),\n & se_subgrid_recv_ind(1,3,sdir):se_subgrid_recv_ind(2,3,sdir),\n & se_subgrid_recv_ind(1,4,sdir):se_subgrid_recv_ind(2,4,sdir))\n & =\n & data1(se_subgrid_send_ind(1,1,sdir):se_subgrid_send_ind(2,1,sdir),\n & se_subgrid_send_ind(1,2,sdir):se_subgrid_send_ind(2,2,sdir),\n & se_subgrid_send_ind(1,3,sdir):se_subgrid_send_ind(2,3,sdir),\n & se_subgrid_send_ind(1,4,sdir):se_subgrid_send_ind(2,4,sdir))\n\n else\n\n if (se_subgrid_send(sdir) .ge. 0) then\n tag = sdir+se_myworker_pe\n call se_data_send (data1, se_subgrid_send_ind_ptr,\n & se_subgrid_send_ptr, sdir, tag, request)\n end if\n\n if ((se_subgrid_recv(sdir) .ge. 0) .and.\n & (se_subgrid_recv(sdir) .ne. se_myworker_pe)) then\n tag = sdir+se_myworker_pe\n call se_data_recv (data2, se_subgrid_recv_ind_ptr,\n & se_subgrid_recv_ptr, sdir, tag)\n end if\n\nc if (se_subgrid_send .ge. 0) then\nc call mpi_wait (request, status, error)\nc end if\n\n end if\n end do\n\n return\n end subroutine se_4d_data_copy\n\nC --------------------------------------------------------------------------\n subroutine se_4de_data_copy (data1, data2, spc, des)\n\n use se_subgrid_info_ext\n use se_pe_info_ext\n use se_data_send_module\n use se_data_recv_module\n\n implicit none\n\n include \"mpif.h\"\n\n real, intent(in) :: data1(:, :, :, :)\n real, intent(out) :: data2(:, :, :, :)\n integer, intent(in) :: spc, des\n\n integer :: i, sdir, rdir, tag\n integer :: request, status(MPI_STATUS_SIZE), error\n\n do i = 0, se_numworkers-1\n se_subgrid_send_ind(1,3,i) = se_my_subgrid_beglev\n se_subgrid_send_ind(2,3,i) = se_my_subgrid_endlev\n se_subgrid_send_ind(1,4,i) = spc\n se_subgrid_send_ind(2,4,i) = spc\n\n se_subgrid_recv_ind(1,3,i) = 1\n se_subgrid_recv_ind(2,3,i) = se_my_subgrid_endlev - se_my_subgrid_beglev + 1\n se_subgrid_recv_ind(1,4,i) = des\n se_subgrid_recv_ind(2,4,i) = des\n end do\n\n do sdir = 0, se_numworkers-1\n\n if (se_subgrid_send(sdir) .eq. se_myworker_pe) then\n\n data2(se_subgrid_recv_ind(1,1,sdir):se_subgrid_recv_ind(2,1,sdir),\n & se_subgrid_recv_ind(1,2,sdir):se_subgrid_recv_ind(2,2,sdir),\n & se_subgrid_recv_ind(1,3,sdir):se_subgrid_recv_ind(2,3,sdir),\n & se_subgrid_recv_ind(1,4,sdir))\n & =\n & data1(se_subgrid_send_ind(1,1,sdir):se_subgrid_send_ind(2,1,sdir),\n & se_subgrid_send_ind(1,2,sdir):se_subgrid_send_ind(2,2,sdir),\n & se_subgrid_send_ind(1,3,sdir):se_subgrid_send_ind(2,3,sdir),\n & se_subgrid_send_ind(1,4,sdir))\n\n else\n\n if (se_subgrid_send(sdir) .ge. 0) then\n tag = sdir+se_myworker_pe\n call se_data_send (data1, se_subgrid_send_ind_ptr, \n & se_subgrid_send_ptr, sdir, tag, request)\n end if\n\n if ((se_subgrid_recv(sdir) .ge. 0) .and.\n & (se_subgrid_recv(sdir) .ne. se_myworker_pe)) then\n tag = sdir+se_myworker_pe\n call se_data_recv (data2, se_subgrid_recv_ind_ptr, \n & se_subgrid_recv_ptr, sdir, tag)\n end if\n\nc if (se_subgrid_send(sdir) .ge. 0) then\nc call mpi_wait (request, status, error)\nc end if\n\n end if\n end do\n\n return\n end subroutine se_4de_data_copy\n\n end module se_data_copy_module\n" }, { "path": "CCTM/src/STENEX/se/se_data_recv_module.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n! RCS file, release, date & time of last delta, author, state, [and locker]\n! $Header: /project/work/rep/STENEX/src/se_snl/se_data_recv_module.f,v 1.2 2006/02/15 14:41:56 yoj Exp $\n\n! what(1) key, module and SID; SCCS file; date and time of last delta:\n! %W% %P% %G% %U%\n\n! --------------------------------------------------------------------------\n! Purpose:\n!\n! use F90 interface feature to achieve \"faked\" polymorphism for data \n! receiving routine\n!\n! Revision history:\n!\n! Orginal version: 11/05/99 by David Wong\n!\n! 12/04/02 by David Wong\n! -- modified the routine to accommodate worker and\n! I/O processors partition scheme\n! 10/01/12 by David Wong\n! -- reduced memory usage\n! -- extended to five dimensional array\n!\n! Note:\n!\n! se_[n]d[e]_data_recv where [n] denotes the dimensionality of the data \n! and [e] is optional, indicates the first two dimensions are not both \n! decomposed\n!\n! Subroutine parameter description:\n!\n! In: rind -- stores low and high index of each dimension for \n! receiving process\n! recv_from -- stores processor number which data is received from\n! dir_ind -- one of those eight major communication directions\n! tag -- message tag\n!\n! InOut: data -- variable that receives data from other processors\n! --------------------------------------------------------------------------\n\n module se_data_recv_module\n\n use se_pe_info_ext\n\n implicit none\n\n interface se_data_recv\n module procedure se_1d_data_recv,\n & se_2d_data_recv, se_2de_data_recv,\n & se_3d_data_recv, se_3de_data_recv,\n & se_4d_data_recv, se_4de_data_recv,\n & se_5d_data_recv\n end interface\n\n contains\n\n! -----------------------------------------------------------------------------\n subroutine se_1d_data_recv (data, rind, recv_from, dir_ind, tag)\n\n implicit none\n include \"mpif.h\"\n\n real, intent(inout) :: data(:)\n integer, pointer :: rind(:, :), recv_from(:)\n integer, intent(in) :: dir_ind, tag\n\n integer :: i, rcount, error\n integer :: status(MPI_STATUS_SIZE)\n! real :: rarray(size(data))\n real, allocatable :: rarray(:)\n\n! -- receive data from corresponding processor\n\n rcount = rind(2,dir_ind) - rind(1,dir_ind) + 1\n\n allocate (rarray(rcount), stat=error)\n\n call mpi_recv (rarray, rcount, mpi_real, recv_from(dir_ind),\n & tag, se_worker_comm, status, error)\n\n! -- unpack received data\n rcount = 0\n do i = rind(1,dir_ind), rind(2,dir_ind)\n rcount = rcount + 1\n data(i) = rarray(rcount)\n end do\n\n deallocate (rarray)\n\n end subroutine se_1d_data_recv\n\n! -----------------------------------------------------------------------------\n subroutine se_2d_data_recv (data, rind, recv_from, dir_ind, tag)\n\n implicit none\n include \"mpif.h\"\n\n real, intent(inout) :: data(:,:)\n integer, pointer :: rind(:, :, :), recv_from(:)\n integer, intent(in) :: dir_ind, tag\n\n integer :: i, j, rcount, error\n integer :: status(MPI_STATUS_SIZE)\n! real :: rarray(size(data))\n real, allocatable :: rarray(:)\n\n rcount = (rind(2,1,dir_ind) - rind(1,1,dir_ind) + 1) *\n & (rind(2,2,dir_ind) - rind(1,2,dir_ind) + 1)\n\n allocate (rarray(rcount), stat=error)\n\n call mpi_recv (rarray, rcount, mpi_real, recv_from(dir_ind),\n & tag, se_worker_comm, status, error)\n\n! -- unpack received data\n rcount = 0\n do j = rind(1,2,dir_ind), rind(2,2,dir_ind)\n do i = rind(1,1,dir_ind), rind(2,1,dir_ind)\n rcount = rcount + 1\n data(i,j) = rarray(rcount)\n end do\n end do\n\n deallocate (rarray)\n\n end subroutine se_2d_data_recv\n\n! -----------------------------------------------------------------------------\n subroutine se_2de_data_recv (data, rind, recv_from, dir_ind, tag)\n\n implicit none\n include \"mpif.h\"\n\n real, intent(inout) :: data(:,:)\n integer, pointer :: rind(:, :), recv_from(:)\n integer, intent(in) :: dir_ind, tag\n\n integer :: i, j, rcount, error\n integer :: status(MPI_STATUS_SIZE)\n! real :: rarray(size(data))\n real, allocatable :: rarray(:)\n\n rcount = (rind(2,dir_ind) - rind(1,dir_ind) + 1) *\n & (ubound(data,2) - lbound(data,2) + 1)\n\n allocate (rarray(rcount), stat=error)\n\n call mpi_recv (rarray, rcount, mpi_real, recv_from(dir_ind),\n & tag, se_worker_comm, status, error)\n\n! -- unpack received data\n rcount = 0\n do j = lbound(data,2), ubound(data,2)\n do i = rind(1,dir_ind), rind(2,dir_ind)\n rcount = rcount + 1\n data(i,j) = rarray(rcount)\n end do\n end do\n\n deallocate (rarray)\n\n end subroutine se_2de_data_recv\n\n! -----------------------------------------------------------------------------\n subroutine se_3d_data_recv (data, rind, recv_from, dir_ind, tag)\n\n implicit none\n include \"mpif.h\"\n\n real, intent(inout) :: data(:,:,:)\n integer, pointer :: rind(:, :, :), recv_from(:)\n integer, intent(in) :: dir_ind, tag\n\n integer :: i, j, k, rcount, error\n integer :: status(MPI_STATUS_SIZE)\n! real :: rarray(size(data))\n real, allocatable :: rarray(:)\n\n rcount = (rind(2,1,dir_ind) - rind(1,1,dir_ind) + 1) *\n & (rind(2,2,dir_ind) - rind(1,2,dir_ind) + 1) *\n & (rind(2,3,dir_ind) - rind(1,3,dir_ind) + 1)\n\n allocate (rarray(rcount), stat=error)\n\n call mpi_recv (rarray, rcount, mpi_real, recv_from(dir_ind),\n & tag, se_worker_comm, status, error)\n\n! -- unpack received data\n rcount = 0\n do k = rind(1,3,dir_ind), rind(2,3,dir_ind)\n do j = rind(1,2,dir_ind), rind(2,2,dir_ind)\n do i = rind(1,1,dir_ind), rind(2,1,dir_ind)\n rcount = rcount + 1\n data(i,j,k) = rarray(rcount)\n end do\n end do\n end do\n\n deallocate (rarray)\n\n end subroutine se_3d_data_recv\n\n! -----------------------------------------------------------------------------\n subroutine se_3de_data_recv (data, rind, recv_from, dir_ind, tag)\n\n implicit none\n include \"mpif.h\"\n\n real, intent(inout) :: data(:,:,:)\n integer, pointer :: rind(:, :), recv_from(:)\n integer, intent(in) :: dir_ind, tag\n\n integer :: i, j, k, rcount, error\n integer :: status(MPI_STATUS_SIZE)\n! real :: rarray(size(data))\n real, allocatable :: rarray(:)\n\n rcount = (rind(2,dir_ind) - rind(1,dir_ind) + 1) *\n & (ubound(data,2) - lbound(data,2) + 1) *\n & (ubound(data,3) - lbound(data,3) + 1)\n\n allocate (rarray(rcount), stat=error)\n\n call mpi_recv (rarray, rcount, mpi_real, recv_from(dir_ind),\n & tag, se_worker_comm, status, error)\n\n! -- unpack received data\n rcount = 0\n do k = lbound(data,3), ubound(data,3)\n do j = lbound(data,2), ubound(data,2)\n do i = rind(1,dir_ind), rind(2,dir_ind)\n rcount = rcount + 1\n data(i,j,k) = rarray(rcount)\n end do\n end do\n end do\n\n deallocate (rarray)\n\n end subroutine se_3de_data_recv\n\n! -----------------------------------------------------------------------------\n subroutine se_4d_data_recv (data, rind, recv_from, dir_ind, tag)\n\n implicit none\n include \"mpif.h\"\n\n real, intent(inout) :: data(:,:,:,:)\n integer, pointer :: rind(:, :, :), recv_from(:)\n integer, intent(in) :: dir_ind, tag\n\n integer :: i, j, k, l, rcount, error\n integer :: status(MPI_STATUS_SIZE)\n! real :: rarray(size(data))\n real, allocatable :: rarray(:)\n\n rcount = (rind(2,1,dir_ind) - rind(1,1,dir_ind) + 1) *\n & (rind(2,2,dir_ind) - rind(1,2,dir_ind) + 1) *\n & (rind(2,3,dir_ind) - rind(1,3,dir_ind) + 1) *\n & (rind(2,4,dir_ind) - rind(1,4,dir_ind) + 1)\n\n allocate (rarray(rcount), stat=error)\n\n call mpi_recv (rarray, rcount, mpi_real, recv_from(dir_ind),\n & tag, se_worker_comm, status, error)\n\n! -- unpack received data\n rcount = 0\n do l = rind(1,4,dir_ind), rind(2,4,dir_ind)\n do k = rind(1,3,dir_ind), rind(2,3,dir_ind)\n do j = rind(1,2,dir_ind), rind(2,2,dir_ind)\n do i = rind(1,1,dir_ind), rind(2,1,dir_ind)\n rcount = rcount + 1\n data(i,j,k,l) = rarray(rcount)\n end do\n end do\n end do\n end do\n\n deallocate (rarray)\n\n end subroutine se_4d_data_recv\n\n! -----------------------------------------------------------------------------\n subroutine se_4de_data_recv (data, rind, recv_from, dir_ind, tag)\n\n implicit none\n include \"mpif.h\"\n\n real, intent(inout) :: data(:,:,:,:)\n integer, pointer :: rind(:, :), recv_from(:)\n integer, intent(in) :: dir_ind, tag\n\n integer :: i, j, k, s, rcount, error\n integer :: status(MPI_STATUS_SIZE)\n! real :: rarray(size(data))\n real, allocatable :: rarray(:)\n\n rcount = (rind(2,dir_ind) - rind(1,dir_ind) + 1) *\n & (ubound(data,2) - lbound(data,2) + 1) *\n & (ubound(data,3) - lbound(data,3) + 1) *\n & (ubound(data,4) - lbound(data,4) + 1)\n\n allocate (rarray(rcount), stat=error)\n\n call mpi_recv (rarray, rcount, mpi_real, recv_from(dir_ind),\n & tag, se_worker_comm, status, error)\n\n! -- unpack received data\n rcount = 0\n do s = lbound(data,4), ubound(data,4)\n do k = lbound(data,3), ubound(data,3)\n do j = lbound(data,2), ubound(data,2)\n do i = rind(1,dir_ind), rind(2,dir_ind)\n rcount = rcount + 1\n data(i,j,k,s) = rarray(rcount)\n end do\n end do\n end do\n end do\n\n deallocate (rarray)\n\n end subroutine se_4de_data_recv\n\n! -----------------------------------------------------------------------------\n subroutine se_5d_data_recv (data, rind, recv_from, dir_ind, tag)\n\n implicit none\n include \"mpif.h\"\n\n real, intent(inout) :: data(:,:,:,:,:)\n integer, pointer :: rind(:, :, :), recv_from(:)\n integer, intent(in) :: dir_ind, tag\n\n integer :: i, j, k, l, m, rcount, error\n integer :: status(MPI_STATUS_SIZE)\n! real :: rarray(size(data))\n real, allocatable :: rarray(:)\n\n rcount = (rind(2,1,dir_ind) - rind(1,1,dir_ind) + 1) *\n & (rind(2,2,dir_ind) - rind(1,2,dir_ind) + 1) *\n & (rind(2,3,dir_ind) - rind(1,3,dir_ind) + 1) *\n & (rind(2,4,dir_ind) - rind(1,4,dir_ind) + 1) *\n & (rind(2,5,dir_ind) - rind(1,5,dir_ind) + 1)\n\n allocate (rarray(rcount), stat=error)\n\n call mpi_recv (rarray, rcount, mpi_real, recv_from(dir_ind),\n & tag, se_worker_comm, status, error)\n\n! -- unpack received data\n rcount = 0\n do m = rind(1,5,dir_ind), rind(2,5,dir_ind)\n do l = rind(1,4,dir_ind), rind(2,4,dir_ind)\n do k = rind(1,3,dir_ind), rind(2,3,dir_ind)\n do j = rind(1,2,dir_ind), rind(2,2,dir_ind)\n do i = rind(1,1,dir_ind), rind(2,1,dir_ind)\n rcount = rcount + 1\n data(i,j,k,l,m) = rarray(rcount)\n end do\n end do\n end do\n end do\n end do\n\n deallocate (rarray)\n\n end subroutine se_5d_data_recv\n\n end module se_data_recv_module\n" }, { "path": "CCTM/src/STENEX/se/se_data_send_module.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n! RCS file, release, date & time of last delta, author, state, [and locker]\n! $Header: /project/work/rep/STENEX/src/se_snl/se_data_send_module.f,v 1.2 2006/02/15 14:41:56 yoj Exp $\n\n! what(1) key, module and SID; SCCS file; date and time of last delta:\n! %W% %P% %G% %U%\n\n! --------------------------------------------------------------------------\n! Purpose:\n!\n! use F90 interface feature to achieve \"faked\" polymorphism for data\n! sending routine\n!\n! Revision history:\n!\n! Orginal version: 11/05/99 by David Wong\n! 07/23/01 by David Wong\n! -- use mpi_isend rather than mpi_send to send messages\n! 03/06/02 David Wong\n! -- use blocking communication scheme due to non-blocking\n! timing problems on IBM SP\n! 12/04/02 by David Wong\n! -- modified the routine to accommodate worker and\n! I/O processors partition scheme\n! 10/01/12 by David Wong\n! -- reduced memory usage\n! -- extended to five dimensional array\n! -- used block sending mechanism\n!\n! Note:\n!\n! se_[n]d[e]_data_send where [n] denotes the dimensionality of the data\n! and [e] is optional, indicates the first two dimensions are not both\n! decomposed\n!\n! Subroutine parameter description:\n!\n! In: sind -- stores low and high index of each dimension for\n! sending process\n! send_to -- stores processor number which data is sent to\n! dir_ind -- one of those eight major communication directions\n! tag -- message tag\n! data -- variable that sends data to other processors\n! --------------------------------------------------------------------------\n\n module se_data_send_module\n\n use se_pe_info_ext\n\n implicit none\n\n interface se_data_send\n module procedure se_1d_data_send,\n & se_2d_data_send, se_2de_data_send,\n & se_3d_data_send, se_3de_data_send,\n & se_4d_data_send, se_4de_data_send,\n & se_5d_data_send\n end interface\n\n contains\n\n! --------------------------------------------------------------------------\n subroutine se_1d_data_send (data, sind, send_to, dir_ind, tag, request)\n\n implicit none\n include \"mpif.h\"\n\n real, intent(in) :: data(:)\n integer, pointer :: sind(:, :), send_to(:)\n integer, intent(in) :: dir_ind, tag\n integer, intent(out) :: request\n\n integer :: i, scount, error\n! real :: sarray(size(data))\n real, allocatable :: sarray(:)\n\n allocate (sarray(sind(2,dir_ind) - sind(1,dir_ind) + 1), stat=error)\n\n! -- pack data for sending\n scount = 0\n do i = sind(1,dir_ind), sind(2,dir_ind)\n scount = scount + 1\n sarray(scount) = data(i)\n end do\n\n! call mpi_isend (sarray, scount, mpi_real, send_to(dir_ind),\n! & tag, se_worker_comm, request, error)\n call mpi_send (sarray, scount, mpi_real, send_to(dir_ind),\n & tag, se_worker_comm, error)\n\n deallocate (sarray)\n\n end subroutine se_1d_data_send\n\n! -----------------------------------------------------------------------------\n subroutine se_2d_data_send (data, sind, send_to, dir_ind, tag, request)\n\n implicit none\n include \"mpif.h\"\n\n real, intent(in) :: data(:,:)\n integer, pointer :: sind(:, :, :), send_to(:)\n integer, intent(in) :: dir_ind, tag\n integer, intent(out) :: request\n\n integer :: i, j, scount, error\n! real :: sarray(size(data))\n real, allocatable :: sarray(:)\n\n allocate (sarray( (sind(2,1,dir_ind) - sind(1,1,dir_ind) + 1) *\n $ (sind(2,2,dir_ind) - sind(1,2,dir_ind) + 1)), stat=error)\n\n scount = 0\n\n! -- pack data for sending\n do j = sind(1,2,dir_ind), sind(2,2,dir_ind)\n do i = sind(1,1,dir_ind), sind(2,1,dir_ind)\n scount = scount + 1\n sarray(scount) = data(i,j)\n end do\n end do\n\n! call mpi_isend (sarray, scount, mpi_real, send_to(dir_ind),\n! & tag, se_worker_comm, request, error)\n call mpi_send (sarray, scount, mpi_real, send_to(dir_ind),\n & tag, se_worker_comm, error)\n\n deallocate (sarray)\n\n end subroutine se_2d_data_send\n\n! -----------------------------------------------------------------------------\n subroutine se_2de_data_send (data, sind, send_to, dir_ind, tag, request)\n\n implicit none\n include \"mpif.h\"\n\n real, intent(in) :: data(:,:)\n integer, pointer :: sind(:, :), send_to(:)\n integer, intent(in) :: dir_ind, tag\n integer, intent(out) :: request\n\n integer :: i, j, scount, error\n! real :: sarray(size(data))\n real, allocatable :: sarray(:)\n\n allocate (sarray( (sind(2,dir_ind) - sind(1,dir_ind) + 1) *\n $ size(data, 2)), stat=error)\n\n scount = 0\n\n! -- pack data for sending\n do j = lbound(data,2), ubound(data,2)\n do i = sind(1,dir_ind), sind(2,dir_ind)\n scount = scount + 1\n sarray(scount) = data(i,j)\n end do\n end do\n\n! call mpi_isend (sarray, scount, mpi_real, send_to(dir_ind),\n! & tag, se_worker_comm, request, error)\n call mpi_send (sarray, scount, mpi_real, send_to(dir_ind),\n & tag, se_worker_comm, error)\n\n deallocate (sarray)\n\n end subroutine se_2de_data_send\n\n! -----------------------------------------------------------------------------\n subroutine se_3d_data_send (data, sind, send_to, dir_ind, tag, request)\n\n implicit none\n include \"mpif.h\"\n\n real, intent(in) :: data(:,:,:)\n integer, pointer :: sind(:, :, :), send_to(:)\n integer, intent(in) :: dir_ind, tag\n integer, intent(out) :: request\n\n integer :: i, j, k, scount, error\n! real :: sarray(size(data))\n real, allocatable :: sarray(:)\n\n allocate (sarray( (sind(2,1,dir_ind) - sind(1,1,dir_ind) + 1) *\n $ (sind(2,2,dir_ind) - sind(1,2,dir_ind) + 1) *\n $ (sind(2,3,dir_ind) - sind(1,3,dir_ind) + 1)), stat=error)\n\n scount = 0\n\n! -- pack data for sending\n do k = sind(1,3,dir_ind), sind(2,3,dir_ind)\n do j = sind(1,2,dir_ind), sind(2,2,dir_ind)\n do i = sind(1,1,dir_ind), sind(2,1,dir_ind)\n scount = scount + 1\n sarray(scount) = data(i,j,k)\n end do\n end do\n end do\n\n! call mpi_isend (sarray, scount, mpi_real, send_to(dir_ind),\n! & tag, se_worker_comm, request, error)\n call mpi_send (sarray, scount, mpi_real, send_to(dir_ind),\n & tag, se_worker_comm, error)\n\n deallocate (sarray)\n\n end subroutine se_3d_data_send\n\n! -----------------------------------------------------------------------------\n subroutine se_3de_data_send (data, sind, send_to, dir_ind, tag, request)\n\n implicit none\n include \"mpif.h\"\n\n real, intent(in) :: data(:,:,:)\n integer, pointer :: sind(:, :), send_to(:)\n integer, intent(in) :: dir_ind, tag\n integer, intent(out) :: request\n\n integer :: i, j, k, scount, error\n! real :: sarray(size(data))\n real, allocatable :: sarray(:)\n\n allocate (sarray( (sind(2,dir_ind) - sind(1,dir_ind) + 1) *\n $ size(data,2) * size(data,3)), stat=error)\n\n scount = 0\n\n! -- pack data for sending\n do k = lbound(data,3), ubound(data,3)\n do j = lbound(data,2), ubound(data,2)\n do i = sind(1,dir_ind), sind(2,dir_ind)\n scount = scount + 1\n sarray(scount) = data(i,j,k)\n end do\n end do\n end do\n\n! call mpi_isend (sarray, scount, mpi_real, send_to(dir_ind),\n! & tag, se_worker_comm, request, error)\n call mpi_send (sarray, scount, mpi_real, send_to(dir_ind),\n & tag, se_worker_comm, error)\n\n deallocate (sarray)\n\n end subroutine se_3de_data_send\n\n! -----------------------------------------------------------------------------\n subroutine se_4d_data_send (data, sind, send_to, dir_ind, tag, request)\n\n implicit none\n include \"mpif.h\"\n\n real, intent(in) :: data(:,:,:,:)\n integer, pointer :: sind(:, :, :), send_to(:)\n integer, intent(in) :: dir_ind, tag\n integer, intent(out) :: request\n\n integer :: i, j, k, l, scount, error\n! real :: sarray(size(data))\n real, allocatable :: sarray(:)\n\n scount = 0\n\n allocate (sarray( (sind(2,1,dir_ind) - sind(1,1,dir_ind) + 1) *\n $ (sind(2,2,dir_ind) - sind(1,2,dir_ind) + 1) *\n $ (sind(2,3,dir_ind) - sind(1,3,dir_ind) + 1) *\n $ (sind(2,4,dir_ind) - sind(1,4,dir_ind) + 1)), stat=error)\n\n! -- pack data for sending\n do l = sind(1,4,dir_ind), sind(2,4,dir_ind)\n do k = sind(1,3,dir_ind), sind(2,3,dir_ind)\n do j = sind(1,2,dir_ind), sind(2,2,dir_ind)\n do i = sind(1,1,dir_ind), sind(2,1,dir_ind)\n scount = scount + 1\n sarray(scount) = data(i,j,k,l)\n end do\n end do\n end do\n end do\n\n! call mpi_isend (sarray, scount, mpi_real, send_to(dir_ind),\n! & tag, se_worker_comm, request, error)\n call mpi_send (sarray, scount, mpi_real, send_to(dir_ind),\n & tag, se_worker_comm, error)\n\n deallocate (sarray)\n\n end subroutine se_4d_data_send\n\n! -----------------------------------------------------------------------------\n subroutine se_4de_data_send (data, sind, send_to, dir_ind, tag, request)\n\n implicit none\n include \"mpif.h\"\n\n real, intent(in) :: data(:,:,:,:)\n integer, pointer :: sind(:, :), send_to(:)\n integer, intent(in) :: dir_ind, tag\n integer, intent(out) :: request\n\n integer :: i, j, k, s, scount, error\n! real :: sarray(size(data))\n real, allocatable :: sarray(:)\n\n allocate (sarray( (sind(2,dir_ind) - sind(1,dir_ind) + 1) *\n $ size(data,2) * size(data,3) * size(data,4)), stat=error)\n\n scount = 0\n\n! -- pack data for sending\n do s = lbound(data,4), ubound(data,4)\n do k = lbound(data,3), ubound(data,3)\n do j = lbound(data,2), ubound(data,2)\n do i = sind(1,dir_ind), sind(2,dir_ind)\n scount = scount + 1\n sarray(scount) = data(i,j,k,s)\n end do\n end do\n end do\n end do\n\n! call mpi_isend (sarray, scount, mpi_real, send_to(dir_ind),\n! & tag, se_worker_comm, request, error)\n call mpi_send (sarray, scount, mpi_real, send_to(dir_ind),\n & tag, se_worker_comm, error)\n\n deallocate (sarray)\n\n end subroutine se_4de_data_send\n\n! -----------------------------------------------------------------------------\n subroutine se_5d_data_send (data, sind, send_to, dir_ind, tag, request)\n\n implicit none\n include \"mpif.h\"\n\n real, intent(in) :: data(:,:,:,:,:)\n integer, pointer :: sind(:, :, :), send_to(:)\n integer, intent(in) :: dir_ind, tag\n integer, intent(out) :: request\n\n integer :: i, j, k, l, m, scount, error\n! real :: sarray(size(data))\n real, allocatable :: sarray(:)\n\n allocate (sarray( (sind(2,1,dir_ind) - sind(1,1,dir_ind) + 1) *\n $ (sind(2,2,dir_ind) - sind(1,2,dir_ind) + 1) *\n $ (sind(2,3,dir_ind) - sind(1,3,dir_ind) + 1) *\n $ (sind(2,4,dir_ind) - sind(1,4,dir_ind) + 1) *\n $ (sind(2,5,dir_ind) - sind(1,5,dir_ind) + 1)), stat=error)\n\n scount = 0\n\n! -- pack data for sending\n do m = sind(1,5,dir_ind), sind(2,5,dir_ind)\n do l = sind(1,4,dir_ind), sind(2,4,dir_ind)\n do k = sind(1,3,dir_ind), sind(2,3,dir_ind)\n do j = sind(1,2,dir_ind), sind(2,2,dir_ind)\n do i = sind(1,1,dir_ind), sind(2,1,dir_ind)\n scount = scount + 1\n sarray(scount) = data(i,j,k,l,m)\n end do\n end do\n end do\n end do\n end do\n\n! call mpi_isend (sarray, scount, mpi_real, send_to(dir_ind),\n! & tag, se_worker_comm, request, error)\n call mpi_send (sarray, scount, mpi_real, send_to(dir_ind),\n & tag, se_worker_comm, error)\n\n deallocate (sarray)\n\n end subroutine se_5d_data_send\n\n end module se_data_send_module\n" }, { "path": "CCTM/src/STENEX/se/se_disp_info_ext.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/work/rep/STENEX/src/se_snl/se_disp_info_ext.f,v 1.1 2004/03/26 16:16:47 yoj Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC --------------------------------------------------------------------------\nC Note: all these variables with prefix se_ are for stencil exchange library\nC only\nC\nC to define maximum displacement variables:\nC\nC se_mndis -- maximun displacement in the north direction\nC se_medis -- maximun displacement in the east direction\nC se_msdis -- maximun displacement in the south direction\nC se_mwdis -- maximun displacement in the west direction\nC --------------------------------------------------------------------------\n\n module se_disp_info_ext\n\n integer :: se_mndis, se_medis, se_msdis, se_mwdis\n\n end module se_disp_info_ext\n" }, { "path": "CCTM/src/STENEX/se/se_domain_info_ext.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/work/rep/STENEX/src/se_snl/se_domain_info_ext.f,v 1.1 2004/03/26 16:16:47 yoj Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC --------------------------------------------------------------------------\nC Note: all these variables with prefix se_ are for stencil exchange library\nC only\nC\nC to define domain decomposition info variables:\nC\nC -- global values\nC\nC se_gl_ncols -- number of columns in the physical domain\nC se_gl_nrows -- number of rows in the physical domain\nC se_gl_nlays -- number of layers in the physical domain\nC se_gl_nspcs -- number of species in the physical domain\nC se_gl_ind -- global fine domain to processor map: the first two entries\nC are the beginning and ending row number, the second two \nC entries are the beginning and ending column number, second \nC dimension corresponding to the processor number\nC\nC -- local dimension values\nC\nC se_ncols -- max. number of columns in a processor for data declaration\nC se_nrows -- max. number of rows in a processor for data declaration\nC se_nlays -- max. number of layers in a processor for data declaration\nC se_nspcs -- max. number of species in a processor for data declaration\nC\nC -- local processor data dimension values\nC\nC se_my_ncols -- number of columns a processor is responsible for\nC se_my_nrows -- number of rows a processor is responsible for\nC se_my_nlays -- number of layers a processor is responsible for\nC se_my_nspcs -- number of species a processor is responsible for\nC\nC -- local processor data dimension values plus one\nC\nC se_my_ncolsp1 -- number of columns a processor is responsible for plus one\nC se_my_nrowsp1 -- number of rows a processor is responsible for plus one\nC se_my_nlaysp1 -- number of layers a processor is responsible for plus one\nC se_my_nspcsp1 -- number of species a processor is responsible for plus one\nC\nC eg. given eight processors, four processors are assigned to column\nC dimension and 2 are assigned to row dimension (note: vertical axis\nC denotes the column dimension and horizontal axis denotes row dimension),\nC and a 2-D domain of size 17 by 11\nC\nC ie. numprocs = 8 PE map: 0 1\nC npcol = 4 2 3\nC nprow = 2 4 5\nC gl_ncols = 17 6 7\nC gl_nrows = 11\nC\nC in each PE, ncols by nrows = 5 x 6\nC se_my_ncols by se_my_nrows = 5 x 6 for PE 0\nC se_my_ncols by se_my_nrows = 5 x 5 for PE 1\nC se_my_ncols by se_my_nrows = 4 x 6 for PE 2, 4, and 6\nC se_my_ncols by se_my_nrows = 4 x 5 for PE 3, 5, and 7\nC --------------------------------------------------------------------------\n\n module se_domain_info_ext\n\n integer :: se_gl_ncols\n integer :: se_gl_nrows\n integer :: se_gl_nlays\n integer :: se_gl_nspcs\n\n integer, allocatable, save, target :: se_gl_ind(:, :, :)\n integer, pointer :: se_gl_ind_ptr (:, :, :)\n\n integer :: se_ncols\n integer :: se_nrows\n integer :: se_nlays\n integer :: se_nspcs\n\n integer :: se_my_ncols\n integer :: se_my_nrows\n integer :: se_my_nlays\n integer :: se_my_nspcs\n integer :: se_my_ncolsp1\n integer :: se_my_nrowsp1\n integer :: se_my_nlaysp1\n integer :: se_my_nspcsp1\n \n end module se_domain_info_ext\n" }, { "path": "CCTM/src/STENEX/se/se_gather_module.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/work/rep/STENEX/src/se_snl/se_gather_module.f,v 1.2 2006/02/15 14:41:56 yoj Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC use F90 module feature to include all routines to perform data gather \nC function in one module and use F90 interface feature to achieve \"faked\" \nC polymorphism for data gather routine\nC\nC there are two major routines: se_setup_gather and se_gather[n] where [n] \nC denotes the dimensionality of the data\nC\nC se_setup_gather:\nC -- to setup source PE of communication for I/O PE, namely PE 0\nC\nC details description is provided with the routine\nC\nC se_gather[n]:\nC -- to gather n-dimensional array data from all PEs who hold information \nC that need to be output, and store in the I/O PE namely PE 0\nC\nC Subroutine parameter description:\nC\nC In: data -- original data\nC pec -- indicator of where data is locator in\nC ptr -- address of data that need to be gathered\nC n -- number of data need to be gethered in a processor\nC sdim -- slicing data dimension, i.e. the dimenison of the data\nC that are located in various processor\nC\nC Out: data -- original data after communication\nC\nC Local variable description:\nC\nC locpec -- local copy of pec\nC locptr -- local copy of ptr\nC i, j -- loop indexes\nC gn -- global n\nC locn -- local copy of n\nC\nC Example:\nC\nC given four PEs, a 3D data array A(m, n, 6) where m and n are integers, and\nC the last dimension was distributed: PE 0 has 5, PE 1 has 1, 2, 3, 4, PE 2 \nC has 6, and PE 3 has nothing. Let data 1, 3, 6 be the ones that need output. \nC So PEC will be 0 1 1 1 1 2; PRT for PE 1 and PE 2 are 1, 2 and 6, \nC respectively, PE 0 and PE 3's PRT will be all -1; N for PE 0 to 3 are 0, 2, \nC 1, and 0, respectively. In this example, sdim is 3. Overall picture is, \nC PE 0 will collect data from PE 1 and 2 in this example.\nC\nC Include file:\nC\nC se_pe_info_ext\nC se_slice_module\nC se_global_sum_module\nC\nC Subroutine/Function call:\nC\nC se_global_isum\nC se_slice[n]\nC setup_info\nC\nC Revision history:\nC\nC Orginal version: 11/05/99 by David Wong\nC Add integer data 12/16/00 by Jeff Young\nC 12/04/02 by David Wong\nC -- modified the routine to accommodate worker and\nC I/O processors partition scheme\nC --------------------------------------------------------------------------\n\n module se_gather_module\n\n implicit none\n\n private :: se_setup_gather\n\n interface se_gather\n module procedure se_gather1i, se_gather1r, \n & se_gather2i, se_gather2r,\n & se_gather3i, se_gather3r, \n & se_gather4i, se_gather4r\n end interface\n\n contains\n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC to setup source PE of communication for I/O PE, namely PE 0\nC\nC Revision history:\nC\nC Orginal version: 7/14/99 by David Wong \nC\nC 11/05/99 by David Wong\nC -- redesign the code using OO-Based approach in F90\nC\nC 12/04/02 by David Wong\nC -- modified the routine to accommodate worker and\nC I/O processors partition scheme\nC\nC Subroutine parameter description:\nC\nC In: ptr -- address of data that need to be gathered\nC pec -- indicator of where data is locator in\nC n -- number of data point in a processor\nC gn -- total number of data point among all processors\nC\nC Out: locptr -- local ptr\nC locpec -- local pec\nC locn -- local n\nC\nC Local variable description:\nC\nC bufptr -- buffer to hold ptr from all PEs\nC locnarray -- an array to hold n from all PEs\nC i, k -- loop index\nC j -- position of locptr in PE 0 during compact process\nC low, high -- starting and ending point in bufptr for each PE\nC error -- error code for mpi call\nC\nC Example: Given 4 PEs, and only PE 1 and 2 have two and one data point,\nC respectively. Let prt in each PE are:\nC\nC 0: 0 0 0 0 ...\nC 1: 1 3 0 0 ...\nC 2: 6 0 0 0 ...\nC 3: 0 0 0 0 ...\nC\nC Then bufptr in PE 0 will be:\nC\nC 0: 0 0 0 1 3 0 6 0 0 0 0 0 ...\nC\nC Subroutine/Function call:\nC\nC mpi_gather\nC\nC --------------------------------------------------------------------------\n\n subroutine se_setup_gather (ptr, locptr, pec, locpec, gn, n, locn)\n\n use se_pe_info_ext\n\n integer, intent(in) :: ptr(:), pec(:), gn, n \n integer, intent(out) :: locptr(:), locpec(:), locn\n\n include \"mpif.h\"\n\n integer, allocatable :: bufptr(:), locnarray(:)\n integer :: i, j, k, low, high, error, allocate_status\n\nC -- allocate data\n allocate (bufptr(gn*se_numworkers), stat=allocate_status)\n if (allocate_status .ne. 0) then\n print *, ' Subroutine SE_SETUP_GATHER: ',\n & ' allocation error in bufptr'\n stop\n end if\n\nC -- allocate data\n allocate (locnarray(0:se_numworkers-1), stat=allocate_status)\n if (allocate_status .ne. 0) then\n print *, ' Subroutine SE_SETUP_GATHER: ',\n & ' allocation error in locnarray'\n stop\n end if\n\nC -- PE 0 colloect ptr information from each PE\n call mpi_gather (ptr, gn, mpi_integer, bufptr, gn,\n & mpi_integer, 0, se_worker_comm, error)\n\nC -- PE 0 colloect n from each PE\n call mpi_gather (n, 1, mpi_integer, locnarray(se_myworker_pe), 1,\n & mpi_integer, 0, se_worker_comm, error)\n\n if (se_myworker_pe .eq. 0) then\n\nC -- PE 0 filters and compacts PEC and PTR array data. \n\n j = 0\n do i = 0, se_numworkers-1\n low = i * gn + 1\n high = low + locnarray(i) - 1\n do k = low, high\n j = j + 1\n locptr(j) = bufptr(k)\n locpec(j) = i\n end do\n end do\n locn = gn\n else\n do i = 1, gn\n if (i .le. n) then\n locptr(i) = ptr(i)\n locpec(i) = pec(ptr(i))\n else\n locptr(i) = -1\n locpec(i) = -1\n end if\n end do\n locn = n\n end if\n\n deallocate (bufptr)\n deallocate (locnarray)\n\n return\n end subroutine se_setup_gather\n\nC --------------------------------------------------------------------------\n subroutine se_gather1r (data, pec, ptr, n, sdim)\n\n use se_pe_info_ext\n use se_slice_module\n use se_global_sum_module\n\n implicit none\n\n real, intent(inout) :: data(:)\n integer, intent(in) :: pec(:), ptr(:), n, sdim\n\n integer :: locpec(size(pec))\n integer :: locptr(size(ptr))\n\n integer :: i, j, gn, locn\n\n gn = se_global_sum(n)\n\n call se_setup_gather (ptr, locptr, pec, locpec, gn, n, locn)\n\nC -- gathering data by using se_slice function\n do j = 1, locn\n i = locptr(j) \n if ((locpec(j) .ge. 0) .or. (se_myworker_pe .eq. 0)) then\n call se_slice (data, locpec(j), 0, sdim, i, i)\n end if\n end do\n\n return\n end subroutine se_gather1r\n\nC --------------------------------------------------------------------------\n subroutine se_gather2r (data, pec, ptr, n, sdim)\n\n use se_pe_info_ext\n use se_slice_module\n use se_global_sum_module\n\n implicit none\n\n real, intent(inout) :: data(:,:)\n integer, intent(in) :: pec(:), ptr(:), n, sdim\n\n integer :: locpec(size(pec))\n integer :: locptr(size(ptr))\n\n integer :: i, j, gn, locn\n\n gn = se_global_sum(n)\n\n call se_setup_gather (ptr, locptr, pec, locpec, gn, n, locn)\n\nC -- gathering data by using se_slice function\n do j = 1, locn\n i = locptr(j) \n if ((locpec(j) .ge. 0) .or. (se_myworker_pe .eq. 0)) then\n call se_slice (data, locpec(j), 0, sdim, i, i)\n end if\n end do\n\n return\n end subroutine se_gather2r\n\nC --------------------------------------------------------------------------\n subroutine se_gather3r (data, pec, ptr, n, sdim)\n\n use se_pe_info_ext\n use se_slice_module\n use se_global_sum_module\n\n implicit none\n\n real, intent(inout) :: data(:,:,:)\n integer, intent(in) :: pec(:), ptr(:), n, sdim\n\n integer :: locpec(size(pec))\n integer :: locptr(size(ptr))\n\n integer :: i, j, gn, locn\n\n gn = se_global_sum(n)\n\n call se_setup_gather (ptr, locptr, pec, locpec, gn, n, locn)\n\nC -- gathering data by using se_slice function\n do j = 1, locn\n i = locptr(j) \n if ((locpec(j) .ge. 0) .or. (se_myworker_pe .eq. 0)) then\n call se_slice (data, locpec(j), 0, sdim, i, i)\n end if\n end do\n\n return\n end subroutine se_gather3r\n\nC --------------------------------------------------------------------------\n subroutine se_gather4r (data, pec, ptr, n, sdim)\n\n use se_pe_info_ext\n use se_slice_module\n use se_global_sum_module\n\n implicit none\n\n real, intent(inout) :: data(:,:,:,:)\n integer, intent(in) :: pec(:), ptr(:), n, sdim\n\n integer :: locpec(size(pec))\n integer :: locptr(size(ptr))\n\n integer :: i, j, gn, locn\n\n gn = se_global_sum(n)\n\n call se_setup_gather (ptr, locptr, pec, locpec, gn, n, locn)\n\nC -- gathering data by using se_slice function\n do j = 1, locn\n i = locptr(j) \n if ((locpec(j) .ge. 0) .or. (se_myworker_pe .eq. 0)) then\n call se_slice (data, locpec(j), 0, sdim, i, i)\n end if\n end do\n\n return\n end subroutine se_gather4r\n\nC --------------------------------------------------------------------------\n subroutine se_gather1i (data, pec, ptr, n, sdim)\n\n use se_pe_info_ext\n use se_slice_module\n use se_global_sum_module\n\n implicit none\n\n integer, intent(inout) :: data(:)\n integer, intent(in) :: pec(:), ptr(:), n, sdim\n\n integer :: locpec(size(pec))\n integer :: locptr(size(ptr))\n\n integer :: i, j, gn, locn\n\n gn = se_global_sum(n)\n\n call se_setup_gather (ptr, locptr, pec, locpec, gn, n, locn)\n\nC -- gathering data by using se_slice function\n do j = 1, locn\n i = locptr(j) \n if ((locpec(j) .ge. 0) .or. (se_myworker_pe .eq. 0)) then\n call se_slice (data, locpec(j), 0, sdim, i, i)\n end if\n end do\n\n return\n end subroutine se_gather1i\n\nC --------------------------------------------------------------------------\n subroutine se_gather2i (data, pec, ptr, n, sdim)\n\n use se_pe_info_ext\n use se_slice_module\n use se_global_sum_module\n\n implicit none\n\n integer, intent(inout) :: data(:,:)\n integer, intent(in) :: pec(:), ptr(:), n, sdim\n\n integer :: locpec(size(pec))\n integer :: locptr(size(ptr))\n\n integer :: i, j, gn, locn\n\n gn = se_global_sum(n)\n\n call se_setup_gather (ptr, locptr, pec, locpec, gn, n, locn)\n\nC -- gathering data by using se_slice function\n do j = 1, locn\n i = locptr(j) \n if ((locpec(j) .ge. 0) .or. (se_myworker_pe .eq. 0)) then\n call se_slice (data, locpec(j), 0, sdim, i, i)\n end if\n end do\n\n return\n end subroutine se_gather2i\n\nC --------------------------------------------------------------------------\n subroutine se_gather3i (data, pec, ptr, n, sdim)\n\n use se_pe_info_ext\n use se_slice_module\n use se_global_sum_module\n\n implicit none\n\n integer, intent(inout) :: data(:,:,:)\n integer, intent(in) :: pec(:), ptr(:), n, sdim\n\n integer :: locpec(size(pec))\n integer :: locptr(size(ptr))\n\n integer :: i, j, gn, locn\n\n gn = se_global_sum(n)\n\n call se_setup_gather (ptr, locptr, pec, locpec, gn, n, locn)\n\nC -- gathering data by using se_slice function\n do j = 1, locn\n i = locptr(j) \n if ((locpec(j) .ge. 0) .or. (se_myworker_pe .eq. 0)) then\n call se_slice (data, locpec(j), 0, sdim, i, i)\n end if\n end do\n\n return\n end subroutine se_gather3i\n\nC --------------------------------------------------------------------------\n subroutine se_gather4i (data, pec, ptr, n, sdim)\n\n use se_pe_info_ext\n use se_slice_module\n use se_global_sum_module\n\n implicit none\n\n integer, intent(inout) :: data(:,:,:,:)\n integer, intent(in) :: pec(:), ptr(:), n, sdim\n\n integer :: locpec(size(pec))\n integer :: locptr(size(ptr))\n\n integer :: i, j, gn, locn\n\n gn = se_global_sum(n)\n\n call se_setup_gather (ptr, locptr, pec, locpec, gn, n, locn)\n\nC -- gathering data by using se_slice function\n do j = 1, locn\n i = locptr(j) \n if ((locpec(j) .ge. 0) .or. (se_myworker_pe .eq. 0)) then\n call se_slice (data, locpec(j), 0, sdim, i, i)\n end if\n end do\n\n return\n end subroutine se_gather4i\n\n end module se_gather_module\n" }, { "path": "CCTM/src/STENEX/se/se_global_bcast_module.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n! what(1) key, module and SID; SCCS file; date and time of last delta:\n! %W% %P% %G% %U%\n\n! --------------------------------------------------------------------------\n! Purpose:\n!\n! use F90 interface feature to achieve \"faked\" polymorphism for global broadcast\n! operation from PE 0\n!\n! Revision history:\n!\n! Orginal version: 12/14/21 by David Wong\n!\n! Parameter List:\n!\n! Local Variable:\n!\n! Include Files:\n!\n! mpif.h\nC -----------------------------------------------------------------------------\n\n module se_global_bcast_module\n\n use se_pe_info_ext, only : se_worker_comm, se_myworker_pe, se_numworkers\n use se_domain_info_ext, only : se_gl_ind\n\n implicit none\n\n interface se_global_bcast\n module procedure se_global_bcast_2d_r,\n $ se_global_bcast_2d_i,\n $ se_global_bcast_2d_l\n end interface\n\n contains\n\n! -----------------------------------------------------------------------------\n subroutine se_global_bcast_2d_r (indata)\n\n real, intent(in) :: indata(:,:)\n\n include \"mpif.h\"\n\n integer :: data_size, error\n\n data_size = size(indata,1) * size(indata,2)\n\n call mpi_bcast (indata, data_size, mpi_real, 0, se_worker_comm, error)\n\n end subroutine se_global_bcast_2d_r\n\n! -----------------------------------------------------------------------------\n subroutine se_global_bcast_2d_i (indata)\n\n integer, intent(in) :: indata(:,:)\n\n include \"mpif.h\"\n\n integer :: data_size, error\n\n data_size = size(indata,1) * size(indata,2)\n\n call mpi_bcast (indata, data_size, mpi_integer, 0, se_worker_comm, error)\n\n end subroutine se_global_bcast_2d_i\n\n! -----------------------------------------------------------------------------\n subroutine se_global_bcast_2d_l (indata)\n\n logical, intent(in) :: indata(:,:)\n\n include \"mpif.h\"\n\n integer :: data_size, error\n\n data_size = size(indata,1) * size(indata,2)\n\n call mpi_bcast (indata, data_size, mpi_logical, 0, se_worker_comm, error)\n\n end subroutine se_global_bcast_2d_l\n\n end module se_global_bcast_module\n" }, { "path": "CCTM/src/STENEX/se/se_global_gather_module.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n! what(1) key, module and SID; SCCS file; date and time of last delta:\n! %W% %P% %G% %U%\n\n! --------------------------------------------------------------------------\n! Purpose:\n!\n! use F90 interface feature to achieve \"faked\" polymorphism for global gather\n! operation for PE 0\n!\n! Revision history:\n!\n! Orginal version: 12/14/21 by David Wong\n!\n! Parameter List:\n!\n! In: var -- distributed variable which needs be determined the max value\n! among all processors\n!\n! Local Variable:\n!\n! max -- maximum value among all processors\n! error -- error code of mpi call\n!\n! Include Files:\n!\n! mpif.h\nC -----------------------------------------------------------------------------\n\n module se_global_gather_module\n\n use se_pe_info_ext, only : se_worker_comm, se_myworker_pe, se_numworkers\n use se_domain_info_ext, only : se_gl_ind\n\n implicit none\n\n integer :: sc, ec, sr, er, nc, nr\n logical :: called_setup = .false.\n\n interface se_global_gather\n module procedure se_global_gather_2d_r,\n $ se_global_gather_3d_r,\n $ se_global_gather_2d_i,\n $ se_global_gather_3d_i,\n $ se_global_gather_2d_l,\n $ se_global_gather_3d_l\n end interface\n\n contains\n\n! -----------------------------------------------------------------------------\n subroutine se_global_gather_setup\n\n sc = se_gl_ind (1,1,se_myworker_pe)\n ec = se_gl_ind (2,1,se_myworker_pe)\n\n sr = se_gl_ind (1,2,se_myworker_pe)\n er = se_gl_ind (2,2,se_myworker_pe)\n\n nc = ec - sc + 1\n nr = er - sr + 1\n\n end subroutine se_global_gather_setup\n\n! -----------------------------------------------------------------------------\n subroutine se_global_gather_2d_r (indata, outdata)\n\n real, intent(in) :: indata(:,:)\n real, intent(out) :: outdata(:,:)\n\n include \"mpif.h\"\n\n integer :: data_size, error, pe, lsc, lec, lsr, ler,\n $ lnc, lnr, status(MPI_STATUS_SIZE)\n real, allocatable :: buf(:,:)\n\n if (.not. called_setup) then\n call se_global_gather_setup\n called_setup = .true.\n end if\n\n if (se_myworker_pe == 0) then\n\n outdata(sc:ec, sr:er) = indata\n\n do pe = 1, se_numworkers-1\n lsc = se_gl_ind (1,1,pe)\n lec = se_gl_ind (2,1,pe)\n\n lsr = se_gl_ind (1,2,pe)\n ler = se_gl_ind (2,2,pe)\n\n lnc = lec - lsc + 1\n lnr = ler - lsr + 1\n\n data_size = lnc * lnr\n\n allocate (buf(lnc, lnr), stat=error)\n\n call mpi_recv (buf, data_size, mpi_real, pe, pe+100,\n & se_worker_comm, status, error)\n\n if (error .ne. 0) then\n write (6, *) ' Abort: Error occurred while performing global 2d'\n write (6, *) ' real gather in receiving data from PE ', pe\n stop\n end if\n\n outdata(lsc:lec, lsr:ler) = buf\n\n deallocate (buf)\n end do\n else\n data_size = nc * nr\n\n call mpi_send (indata, data_size, mpi_real, 0,\n $ se_myworker_pe+100, se_worker_comm, error)\n\n if (error .ne. 0) then\n write (6, *) ' Abort: Error occurred while performing global 2d'\n write (6, *) ' real gather in sending data from PE ', pe\n stop\n end if\n end if\n\n end subroutine se_global_gather_2d_r\n\n! -----------------------------------------------------------------------------\n subroutine se_global_gather_3d_r (indata, outdata)\n\n real, intent(in) :: indata(:,:,:)\n real, intent(out) :: outdata(:,:,:)\n\n include \"mpif.h\"\n\n integer :: data_size, error, pe, lsc, lec, lsr, ler,\n $ lnc, lnr, status(MPI_STATUS_SIZE)\n real, allocatable :: buf(:,:,:)\n\n if (.not. called_setup) then\n call se_global_gather_setup\n called_setup = .true.\n end if\n\n if (se_myworker_pe == 0) then\n\n outdata(sc:ec, sr:er, :) = indata\n\n do pe = 1, se_numworkers-1\n lsc = se_gl_ind (1,1,pe)\n lec = se_gl_ind (2,1,pe)\n\n lsr = se_gl_ind (1,2,pe)\n ler = se_gl_ind (2,2,pe)\n\n lnc = lec - lsc + 1\n lnr = ler - lsr + 1\n\n data_size = lnc * lnr * size(indata,3)\n\n allocate (buf(lnc, lnr, size(indata,3)), stat=error)\n\n call mpi_recv (buf, data_size, mpi_real, pe, pe+100,\n & se_worker_comm, status, error)\n\n if (error .ne. 0) then\n write (6, *) ' Abort: Error occurred while performing global 3d'\n write (6, *) ' real gather in receiving data from PE ', pe\n stop\n end if\n\n outdata(lsc:lec, lsr:ler, :) = buf\n\n deallocate (buf)\n end do\n else\n data_size = nc * nr * size(indata, 3)\n\n call mpi_send (indata, data_size, mpi_real, 0,\n $ se_myworker_pe+100, se_worker_comm, error)\n\n if (error .ne. 0) then\n write (6, *) ' Abort: Error occurred while performing global 3d'\n write (6, *) ' real gather in sending data from PE ', pe\n stop\n end if\n end if\n\n end subroutine se_global_gather_3d_r\n\n! -----------------------------------------------------------------------------\n subroutine se_global_gather_2d_i (indata, outdata)\n\n integer, intent(in) :: indata(:,:)\n integer, intent(out) :: outdata(:,:)\n\n include \"mpif.h\"\n\n integer :: data_size, error, pe, lsc, lec, lsr, ler,\n $ lnc, lnr, status(MPI_STATUS_SIZE)\n integer, allocatable :: buf(:,:)\n\n if (.not. called_setup) then\n call se_global_gather_setup\n called_setup = .true.\n end if\n\n if (se_myworker_pe == 0) then\n\n outdata(sc:ec, sr:er) = indata\n\n do pe = 1, se_numworkers-1\n lsc = se_gl_ind (1,1,pe)\n lec = se_gl_ind (2,1,pe)\n\n lsr = se_gl_ind (1,2,pe)\n ler = se_gl_ind (2,2,pe)\n\n lnc = lec - lsc + 1\n lnr = ler - lsr + 1\n\n data_size = lnc * lnr\n\n allocate (buf(lnc, lnr), stat=error)\n\n call mpi_recv (buf, data_size, mpi_int, pe, pe+100,\n & se_worker_comm, status, error)\n\n if (error .ne. 0) then\n write (6, *) ' Abort: Error occurred while performing global 2d'\n write (6, *) ' integer gather in receiving data from PE ', pe\n stop\n end if\n\n outdata(lsc:lec, lsr:ler) = buf\n\n deallocate (buf)\n end do\n else\n data_size = nc * nr\n\n call mpi_send (indata, data_size, mpi_int, 0,\n $ se_myworker_pe+100, se_worker_comm, error)\n\n if (error .ne. 0) then\n write (6, *) ' Abort: Error occurred while performing global 2d'\n write (6, *) ' integer gather in sending data from PE ', pe\n stop\n end if\n end if\n\n end subroutine se_global_gather_2d_i\n\n! -----------------------------------------------------------------------------\n subroutine se_global_gather_3d_i (indata, outdata)\n\n integer, intent(in) :: indata(:,:,:)\n integer, intent(out) :: outdata(:,:,:)\n\n include \"mpif.h\"\n\n integer :: data_size, error, pe, lsc, lec, lsr, ler,\n $ lnc, lnr, status(MPI_STATUS_SIZE)\n integer, allocatable :: buf(:,:,:)\n\n if (.not. called_setup) then\n call se_global_gather_setup\n called_setup = .true.\n end if\n\n if (se_myworker_pe == 0) then\n\n outdata(sc:ec, sr:er, :) = indata\n\n do pe = 1, se_numworkers-1\n lsc = se_gl_ind (1,1,pe)\n lec = se_gl_ind (2,1,pe)\n\n lsr = se_gl_ind (1,2,pe)\n ler = se_gl_ind (2,2,pe)\n\n lnc = lec - lsc + 1\n lnr = ler - lsr + 1\n\n data_size = lnc * lnr * size(indata,3)\n\n allocate (buf(lnc, lnr, size(indata,3)), stat=error)\n\n call mpi_recv (buf, data_size, mpi_int, pe, pe+100,\n & se_worker_comm, status, error)\n\n if (error .ne. 0) then\n write (6, *) ' Abort: Error occurred while performing global 3d'\n write (6, *) ' integer gather in receiving data from PE ', pe\n stop\n end if\n\n outdata(lsc:lec, lsr:ler, :) = buf\n\n deallocate (buf)\n end do\n else\n data_size = nc * nr * size(indata, 3)\n\n call mpi_send (indata, data_size, mpi_int, 0,\n $ se_myworker_pe+100, se_worker_comm, error)\n\n if (error .ne. 0) then\n write (6, *) ' Abort: Error occurred while performing global 3d'\n write (6, *) ' integer gather in sending data from PE ', pe\n stop\n end if\n end if\n\n end subroutine se_global_gather_3d_i\n\n! -----------------------------------------------------------------------------\n subroutine se_global_gather_2d_l (indata, outdata)\n\n logical, intent(in) :: indata(:,:)\n logical, intent(out) :: outdata(:,:)\n\n include \"mpif.h\"\n\n integer :: data_size, error, pe, lsc, lec, lsr, ler,\n $ lnc, lnr, status(MPI_STATUS_SIZE)\n logical, allocatable :: buf(:,:)\n\n if (.not. called_setup) then\n call se_global_gather_setup\n called_setup = .true.\n end if\n\n if (se_myworker_pe == 0) then\n\n outdata(sc:ec, sr:er) = indata\n\n do pe = 1, se_numworkers-1\n lsc = se_gl_ind (1,1,pe)\n lec = se_gl_ind (2,1,pe)\n\n lsr = se_gl_ind (1,2,pe)\n ler = se_gl_ind (2,2,pe)\n\n lnc = lec - lsc + 1\n lnr = ler - lsr + 1\n\n data_size = lnc * lnr\n\n allocate (buf(lnc, lnr), stat=error)\n\n call mpi_recv (buf, data_size, mpi_logical, pe, pe+100,\n & se_worker_comm, status, error)\n\n if (error .ne. 0) then\n write (6, *) ' Abort: Error occurred while performing global 2d'\n write (6, *) ' logical gather in receiving data from PE ', pe\n stop\n end if\n\n outdata(lsc:lec, lsr:ler) = buf\n\n deallocate (buf)\n end do\n else\n data_size = nc * nr\n\n call mpi_send (indata, data_size, mpi_logical, 0,\n $ se_myworker_pe+100, se_worker_comm, error)\n\n if (error .ne. 0) then\n write (6, *) ' Abort: Error occurred while performing global 2d'\n write (6, *) ' logical gather in sending data from PE ', pe\n stop\n end if\n end if\n\n end subroutine se_global_gather_2d_l\n\n! -----------------------------------------------------------------------------\n subroutine se_global_gather_3d_l (indata, outdata)\n\n logical, intent(in) :: indata(:,:,:)\n logical, intent(out) :: outdata(:,:,:)\n\n include \"mpif.h\"\n\n integer :: data_size, error, pe, lsc, lec, lsr, ler,\n $ lnc, lnr, status(MPI_STATUS_SIZE)\n logical, allocatable :: buf(:,:,:)\n\n if (.not. called_setup) then\n call se_global_gather_setup\n called_setup = .true.\n end if\n\n if (se_myworker_pe == 0) then\n\n outdata(sc:ec, sr:er, :) = indata\n\n do pe = 1, se_numworkers-1\n lsc = se_gl_ind (1,1,pe)\n lec = se_gl_ind (2,1,pe)\n\n lsr = se_gl_ind (1,2,pe)\n ler = se_gl_ind (2,2,pe)\n\n lnc = lec - lsc + 1\n lnr = ler - lsr + 1\n\n data_size = lnc * lnr * size(indata,3)\n\n allocate (buf(lnc, lnr, size(indata,3)), stat=error)\n\n call mpi_recv (buf, data_size, mpi_logical, pe, pe+100,\n & se_worker_comm, status, error)\n\n if (error .ne. 0) then\n write (6, *) ' Abort: Error occurred while performing global 3d'\n write (6, *) ' logical gather in receiving data from PE ', pe\n stop\n end if\n\n outdata(lsc:lec, lsr:ler, :) = buf\n\n deallocate (buf)\n end do\n else\n data_size = nc * nr * size(indata, 3)\n\n call mpi_send (indata, data_size, mpi_logical, 0,\n $ se_myworker_pe+100, se_worker_comm, error)\n\n if (error .ne. 0) then\n write (6, *) ' Abort: Error occurred while performing global 3d'\n write (6, *) ' logical gather in sending data from PE ', pe\n stop\n end if\n end if\n\n end subroutine se_global_gather_3d_l\n\n end module se_global_gather_module\n" }, { "path": "CCTM/src/STENEX/se/se_global_max_module.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/work/rep/STENEX/src/se_snl/se_global_max_module.f,v 1.2 2006/02/15 14:41:56 yoj Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC use F90 interface feature to achieve \"faked\" polymorphism for global max\nC determining routine\nC\nC Revision history:\nC\nC Orginal version: 11/05/99 by David Wong\nC\nC 12/04/02 by David Wong\nC -- modified the routine to accommodate worker and\nC I/O processors partition scheme\nC\nC Parameter List:\nC\nC In: var -- distributed variable which needs be determined the max value\nC among all processors\nC\nC Local Variable:\nC\nC max -- maximum value among all processors\nC error -- error code of mpi call\nC\nC Include Files:\nC\nC mpif.h\nC -----------------------------------------------------------------------------\n\n module se_global_max_module\n\n use se_pe_info_ext\n\n implicit none\n\n interface se_global_max\n module procedure se_global_imax, se_global_rmax\n end interface\n\n contains\n\nC -----------------------------------------------------------------------------\n function se_global_imax (var) result (se_global_imax_result)\n\n implicit none\n\n integer :: se_global_imax_result\n integer, intent(in) :: var\n\n include \"mpif.h\"\n\n integer :: max, error\n\n call mpi_reduce (var, max, 1, mpi_integer, MPI_MAX, 0, \n & se_worker_comm, error)\n\n call mpi_bcast (max, 1, mpi_integer, 0, se_worker_comm, error)\n\n se_global_imax_result = max\n\n return\n end function se_global_imax\n\nC -----------------------------------------------------------------------------\n function se_global_rmax (var) result (se_global_rmax_result)\n\n implicit none\n\n real :: se_global_rmax_result\n real, intent(in) :: var\n\n include \"mpif.h\"\n\n real :: max\n integer :: error\n\n call mpi_reduce (var, max, 1, mpi_real, MPI_MAX, 0, \n & se_worker_comm, error)\n\n call mpi_bcast (max, 1, mpi_real, 0, se_worker_comm, error)\n\n se_global_rmax_result = max\n\n return\n end function se_global_rmax\n\n end module se_global_max_module\n" }, { "path": "CCTM/src/STENEX/se/se_global_min_module.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/work/rep/STENEX/src/se_snl/se_global_min_module.f,v 1.2 2006/02/15 14:41:56 yoj Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC use F90 interface feature to achieve \"faked\" polymorphism for global min\nC determining routine\nC\nC Revision history:\nC\nC Orginal version: 11/05/99 by David Wong\nC\nC 12/04/02 by David Wong\nC -- modified the routine to accommodate worker and\nC I/O processors partition scheme\nC\nC Parameter List:\nC\nC In: var -- distributed variable which needs be determined the min value\nC among all processors\nC\nC Local Variable:\nC\nC min -- minimum value among all processors\nC error -- error code of mpi call\nC\nC Include Files:\nC\nC mpif.h\nC -----------------------------------------------------------------------------\n\n module se_global_min_module\n\n use se_pe_info_ext\n\n implicit none\n\n interface se_global_min\n module procedure se_global_imin, se_global_rmin\n end interface\n\n contains\n\nC -----------------------------------------------------------------------------\n function se_global_imin (var) result (se_global_imin_result)\n\n implicit none\n\n integer :: se_global_imin_result\n integer, intent(in) :: var\n\n include \"mpif.h\"\n\n integer min\n integer error\n\n call mpi_reduce (var, min, 1, mpi_integer, MPI_MIN, 0, \n & se_worker_comm, error)\n\n call mpi_bcast (min, 1, mpi_integer, 0, se_worker_comm, error)\n\n se_global_imin_result = min\n\n return\n end function se_global_imin\n\nC -----------------------------------------------------------------------------\n function se_global_rmin (var) result (se_global_rmin_result)\n\n implicit none\n\n real :: se_global_rmin_result\n real, intent(in) :: var\n\n include \"mpif.h\"\n\n real min\n integer error\n\n call mpi_reduce (var, min, 1, mpi_real, MPI_MIN, 0, \n & se_worker_comm, error)\n\n call mpi_bcast (min, 1, mpi_real, 0, se_worker_comm, error)\n\n se_global_rmin_result = min\n\n return\n end function se_global_rmin\n\n end module se_global_min_module\n" }, { "path": "CCTM/src/STENEX/se/se_global_sum_module.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/work/rep/STENEX/src/se_snl/se_global_sum_module.f,v 1.2 2006/02/15 14:41:56 yoj Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC use F90 interface feature to achieve \"faked\" polymorphism for global sum\nC routine\nC\nC Revision history:\nC\nC Orginal version: 11/05/99 by David Wong\nC\nC 12/04/02 by David Wong\nC -- modified the routine to accommodate worker and\nC I/O processors partition scheme\nC\nC Parameter List:\nC\nC In: var -- sum variable\nC\nC Local Variable:\nC\nC sum -- local variable for computing global sum\nC error -- error code for mpi call\nC\nC Include Files:\nC\nC mpif.h\nC se_pe_info_ext:\nC -----------------------------------------------------------------------------\n\n module se_global_sum_module\n\n implicit none\n\n interface se_global_sum\n module procedure se_global_isum, se_global_rsum,\n & se_global_iasum, se_global_rasum\n end interface\n\n contains\n\nC -----------------------------------------------------------------------------\n function se_global_isum (var) result (se_global_isum_result)\n\n use se_pe_info_ext\n\n implicit none\n\n integer :: se_global_isum_result\n integer, intent(in) :: var\n\n include \"mpif.h\"\n\n integer :: sum, error\n\n call mpi_reduce (var, sum, 1, mpi_integer, mpi_sum, 0,\n & se_worker_comm, error)\n\n if (se_myworker_pe .eq. 0) then\n se_global_isum_result = sum\n end if\n\n call mpi_bcast (se_global_isum_result, 1, mpi_integer, 0, \n & se_worker_comm, error)\n\n return\n end function se_global_isum\n\nC -----------------------------------------------------------------------------\n function se_global_rsum (var) result (se_global_rsum_result)\n\n use se_pe_info_ext\n\n implicit none\n\n real :: se_global_rsum_result\n real, intent(in) :: var\n\n include \"mpif.h\"\n\n real sum\n integer error\n\n call mpi_reduce (var, sum, 1, mpi_real, mpi_sum, 0,\n & se_worker_comm, error)\n\n if (se_myworker_pe .eq. 0) then\n se_global_rsum_result = sum\n end if\n\n call mpi_bcast (se_global_rsum_result, 1, mpi_real, 0, \n & se_worker_comm, error)\n\n return\n end function se_global_rsum\n\nC -----------------------------------------------------------------------------\n function se_global_iasum (var) result (se_global_iasum_result)\n\n use se_pe_info_ext\n\n implicit none\n\n integer, intent(in) :: var(:)\n integer :: se_global_iasum_result(size(var))\n\n include \"mpif.h\"\n\n integer :: sum(size(var)), error, n\n\n n = size(var)\n\n call mpi_reduce (var, sum, n, mpi_integer, mpi_sum, 0,\n & se_worker_comm, error)\n\n if (se_myworker_pe .eq. 0) then\n se_global_iasum_result = sum\n end if\n\n call mpi_bcast (se_global_iasum_result, n, mpi_integer, 0, \n & se_worker_comm, error)\n\n return\n end function se_global_iasum\n\nC -----------------------------------------------------------------------------\n function se_global_rasum (var) result (se_global_rasum_result)\n\n use se_pe_info_ext\n\n implicit none\n\n real, intent(in) :: var(:)\n real :: se_global_rasum_result(size(var))\n\n include \"mpif.h\"\n\n real sum(size(var))\n integer error, n\n\n n = size(var)\n\n call mpi_reduce (var, sum, n, mpi_real, mpi_sum, 0,\n & se_worker_comm, error)\n\n if (se_myworker_pe .eq. 0) then\n se_global_rasum_result = sum\n end if\n\n call mpi_bcast (se_global_rasum_result, n, mpi_real, 0, \n & se_worker_comm, error)\n\n return\n end function se_global_rasum\n\n end module se_global_sum_module\n" }, { "path": "CCTM/src/STENEX/se/se_init_module.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/work/rep/STENEX/src/se_snl/se_init_module.F,v 1.1 2006/02/15 14:56:48 yoj Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC-----------------------------------------------------------------------\n\n module se_init_module\n\n implicit none\n\n private :: se_dim_init\n private :: cal_size \n\n contains\n\nC-----------------------------------------------------------------------\nC Purpose:\nC initialize variables for stencil exchange library\n \nC Revision history:\nC Orginal version: 7/10/98 by David Wong\nC 2/15/99 by David Wong\nC -- add se_global_map call to determine processor\nC configuration and global domain map\nC 11/05/99 by David Wong\nC -- recode the code using F90 syntax\nC 10/13/00 by David Wong\nC -- rename row with dimi and col with dimj and use \nC data_ori to determine the order of column and\nC row input\nC 12/12/00 by David Wong\nC -- use f90 function ALLOCATED to determine an array has\nC been allocated or not rather than a logical variable.\nC 12/04/00 by David Wong\nC -- modified the routine to accommodate: 1. the \nC worker and I/O processors partition scheme and 2.\nC data structure reordering\nC 12/29/05 by Jeff Young\nC -- annotate\nC 08/24/11 by David Wong\nC -- eliminated data and geo orientation\n \nC Local variable description:\nC i, j -- loop index\nC leng -- length of the character string, decompstr\nC decompstr -- a character string indicateing which dimension(s) is/are\nC decomposed\nC loci -- Cartesian coordinate of mype x-axis\nC locj -- Cartesian coordinate of mype y-axis\nC pos -- position in the conversion table\nC conv -- a conversion table\nC conversion table layout\nC (loci-1, locj-1) (loci-1, locj) (loci-1, locj+1) 8 1 2\nC ( loci, locj-1) ( loci, locj) ( loci, locj+1) equivalent to 7 3\nC (loci+1, locj-1) (loci+1, locj) (loci+1, locj+1) 6 5 4\n \nC Include files:\nC se_domain_info.ext\nC se_pe_info.ext\nC se_comm_info.ext\nC se_disp_info_ext\n \nC Subroutine/Function call:\nC se_dim_init\nC-----------------------------------------------------------------------\n\n! #ifdef slcr\n! subroutine se_init (numprocs, npdimi, npdimj, gl_ndimks, gl_ndimls, \n! & gl_ndimis, gl_ndimjs, my_pe,\n! & mndis, medis, msdis, mwdis, data_ori, geo_ori)\n! #else\n subroutine se_init (numprocs, npdimi, npdimj, gl_ndimis, gl_ndimjs,\n & gl_ndimks, gl_ndimls, my_pe,\n & mndis, medis, msdis, mwdis, data_ori, geo_ori)\n! #endif\n\n use se_pe_info_ext\n use se_domain_info_ext\n use se_comm_info_ext\n use se_disp_info_ext\n use se_bndy_copy_info_ext\n! use se_ori_ext\n use se_internal_util_module\n\n implicit none\n\n include 'mpif.h'\n\n integer, intent( in ) :: numprocs, npdimi, npdimj\n integer, intent( in ) :: gl_ndimis, gl_ndimjs, gl_ndimks, gl_ndimls\n integer, intent( in ) :: my_pe\n integer, intent( in ) :: mndis, medis, msdis, mwdis\n character( 2 ), optional, intent( in ) :: data_ori\n integer, optional, intent( in ) :: geo_ori\n\n integer :: i, j, leng\n character( 10 ) :: decompstr\n integer :: loci, locj, pos, allocate_status\n integer :: conv( 8 )\n\n integer :: se_world_group, se_io_group, se_worker_group, error\nc integer, allocatable :: ranks(:)\n \n data conv / 8, 1, 2, 7, 3, 6, 5, 4 /\n\nC 1 = initialize data in module se_pe_info_ext\nC 2 = initialize data in module se_domain_info_ext.f\nC 3 = initialize data in module se_comm_info_ext.f\nC 4 = initialize data in module se_disp_info_ext\nC 5 = initialize data in module se_bndy_copy_info_ext\nC 6 = initialize data in module se_ori_ext\n\n! if (present(data_ori)) then \n! if ((data_ori .eq. \"cr\") .or. (data_ori .eq. \"CR\")) then\n! se_npcol = npdimi ! 1\n! se_nprow = npdimj ! 1\n! se_gl_ncols = gl_ndimis ! 2\n! se_gl_nrows = gl_ndimjs ! 2\n! else\n! se_npcol = npdimj ! 1\n! se_nprow = npdimi ! 1\n! se_gl_ncols = gl_ndimjs ! 2\n! se_gl_nrows = gl_ndimis ! 2\n! end if\n! else\n se_npcol = npdimi ! 1\n se_nprow = npdimj ! 1\n se_gl_ncols = gl_ndimis ! 2\n se_gl_nrows = gl_ndimjs ! 2\n! end if\n\n se_numworkers = se_npcol * se_nprow ! 1\n se_numiopes = numprocs - se_numworkers ! 1\n\n se_my_pe = my_pe ! 1\n\n if ( se_numiopes .gt. 0 ) then\n se_partition_mode = 2 ! 1\n if ( my_pe .lt. se_numiopes ) then\n se_myworker_pe = -1 ! 1\n se_myio_pe = my_pe ! 1\n else\n se_myworker_pe = my_pe - se_numiopes ! 1\n se_myio_pe = -1 ! 1\n end if\n else\n se_partition_mode = 1 ! 1\n se_myworker_pe = my_pe ! 1\n se_myio_pe = -1 ! 1\n end if\n\n call mpi_comm_dup ( mpi_comm_world, se_world_comm, error ) ! 1\n\n if ( se_partition_mode .eq. 2 ) then\n call mpi_comm_group ( mpi_comm_world, se_world_group, error )\n\n allocate ( ranks( se_numiopes ), stat=allocate_status )\n\n do i = 1, se_numiopes\n ranks( i ) = i - 1 ! 1\n end do\n\n call mpi_group_incl ( se_world_group, se_numiopes, ranks, \n & se_io_group, error )\n call mpi_group_excl ( se_world_group, se_numiopes, ranks, \n & se_worker_group, error )\n\n call mpi_comm_create ( mpi_comm_world, se_io_group, \n & se_io_comm, error ) ! 1\n call mpi_comm_create ( mpi_comm_world, se_worker_group, \n & se_worker_comm, error ) ! 1\n else\n call mpi_comm_dup ( mpi_comm_world, se_worker_comm, error ) ! 1\n end if\n\n se_gl_nlays = gl_ndimks ! 2\n se_gl_nspcs = gl_ndimls ! 2\n\n se_mndis = mndis ! 4\n se_medis = medis ! 4\n se_msdis = msdis ! 4\n se_mwdis = mwdis ! 4\n\nC call pxfgetenv ('decompstr', 0, decompstr, leng, 0)\n\n decompstr = ' 1 1 0 0' ! horizontal decomp (cols X rows)\n leng = 8\n\n se_numprocs = numprocs ! 1\n se_numdim = leng / 2 ! 3\n se_decompstr = decompstr ! 3\n\n! if (present(data_ori)) then \n! se_data_ori = data_ori ! 6\n! else\n! se_data_ori = 'CR' ! 6\n! end if\n! if (present(geo_ori)) then \n! se_geo_ori = geo_ori ! 6\n! else\n! se_geo_ori = 0 ! 6\n! end if\n\nC -- initialize ngb_pe\n\n se_ngb_pe = -1 ! 3\n\n if ( ( se_myworker_pe .eq. my_pe ) .or. ( se_myio_pe .eq. -1 ) ) then\n loci = se_myworker_pe / se_npcol\n locj = mod ( se_myworker_pe, se_npcol )\n pos = 0\n do i = loci-1, loci+1\n do j = locj-1, locj+1\n if ( ( i .ne. loci ) .or. ( j .ne. locj ) ) then\n pos = pos + 1\n if ( ( i .ge. 0 ) .and. ( i .lt. se_nprow ) .and.\n & ( j .ge. 0 ) .and. ( j .lt. se_npcol ) ) then\n se_ngb_pe( conv( pos ) ) = i * se_npcol + j ! 3\n else\n se_ngb_pe( conv( pos ) ) = -1 ! 3\n end if\n end if\n end do\n end do\n\nC -- initialize boundary ngb_pe\n\n se_bngb_pe = -1 ! 5\n\n if ( se_myworker_pe .lt. se_npcol ) then\n se_bngb_pe( 5 ) = (se_nprow - 1) * se_npcol + se_myworker_pe ! 5\n end if\n\n if ( se_myworker_pe .ge. (se_nprow - 1) * se_npcol ) then\n se_bngb_pe( 1 ) = mod(se_myworker_pe, se_npcol) ! 5\n end if\n\n if ( mod(se_myworker_pe, se_npcol) .eq. 0 ) then\n se_bngb_pe( 3 ) = se_myworker_pe + se_npcol - 1 ! 5\n end if\n\n if ( mod(se_myworker_pe, se_npcol) .eq. (se_npcol - 1) ) then\n se_bngb_pe( 7 ) = se_myworker_pe / se_npcol * se_npcol ! 5\n end if\n\n if ( se_myworker_pe .eq. 0 ) then\n se_bngb_pe( 4 ) = se_npcol * se_nprow - 1 ! 5\n end if\n\n if ( se_myworker_pe .eq. se_npcol - 1 ) then\n se_bngb_pe( 6 ) = se_npcol * (se_nprow - 1) ! 5\n end if\n\n if ( se_myworker_pe .eq. (se_nprow - 1) * se_npcol ) then\n se_bngb_pe( 2 ) = se_npcol - 1 ! 5\n end if\n\n if ( se_myworker_pe .eq. se_npcol * se_nprow - 1 ) then\n se_bngb_pe( 8 ) = 0 ! 5\n end if\n\n end if\n\n call se_dim_init\n\nC -- figure out the low and high column and row index of the\nC original grid, respectively\n\n if ( .not. allocated( se_gl_ind ) ) then\nC -- allocate data\n allocate (se_gl_ind(2, 2, 0:se_numworkers-1), stat=allocate_status)\n if ( allocate_status .ne. 0 ) then\n print *, ' Allocation error in subroutine SE_INIT'\n stop\n end if\n end if\n\n se_gl_ind_ptr => se_gl_ind\n\n call se_generate_map ( 1, se_gl_nrows, 1, se_gl_ncols,\n & se_nprow, se_npcol, se_gl_ind_ptr ) ! 2\n\n return\n end subroutine se_init \n\nC-----------------------------------------------------------------------\nC Purpose:\nC 1. determine which dimension(s) is/are distributed \nC 2. determine local PE work load of a distributed array \n \nC Revision history:\nC Orginal version: 8/10/98 by David Wong\nC 11/05/99 by David Wong\nC -- recode the code using F90 syntax\n \nC Local variable description:\nC i -- loop index\nC ldecomp -- an array indicating which dimension(s) is/are distributed\nC ldim -- an array holding the global dimension\nC pos1 -- first distributed dimension\nC pos2 -- second distributed dimension\nC first -- a boolean variable\n \nC Include files:\nC se_pe_info.ext\nC se_domain_info.ext\nC se_comm_info.ext\n \nC Subroutine/Function call:\nC cal_size\nC-----------------------------------------------------------------------\n\n subroutine se_dim_init\n\n use se_domain_info_ext\n use se_pe_info_ext\n use se_comm_info_ext\n\n implicit none\n\n integer :: i\n integer :: ldecomp( 4 ), ldim( 4 )\n integer :: pos1, pos2\n logical :: first\n\n first = .true.\n\n ldim( 1 ) = se_gl_nrows\n ldim( 2 ) = se_gl_ncols\n ldim( 3 ) = se_gl_nlays\n ldim( 4 ) = se_gl_nspcs\n\n pos1 = 0\n pos2 = 0\n\n read( se_decompstr, 10 ) ( ldecomp( i ), i = 1, se_numdim )\n10 format( 5i2 )\n\nC -- extract the distributed dimension(s)\n do i = 1, se_numdim\n if ( ldecomp( i ) .eq. 1 ) then\n if ( first ) then\n pos1 = i\n first = .false.\n else \n pos2 = i\n end if\n end if\n end do\n\nC -- row x column\n if ( ((pos1 .eq. 1) .and. (pos2 .eq. 2)) .or.\n & ((pos1 .eq. 1) .and. (pos2 .eq. 0)) ) then\n se_nrows = (se_gl_nrows - 1) / se_nprow + 1 ! 2\n se_ncols = (se_gl_ncols - 1) / se_npcol + 1 ! 2\n se_nlays = se_gl_nlays ! 2\n se_nspcs = se_gl_nspcs ! 2\nC -- column x layer\n else if ( ((pos1 .eq. 2) .and. (pos2 .eq. 3)) .or.\n & ((pos1 .eq. 2) .and. (pos2 .eq. 0)) ) then\n se_nrows = se_gl_nrows ! 2\n se_ncols = (se_gl_ncols - 1) / se_nprow + 1 ! 2\n se_nlays = (se_gl_nlays - 1) / se_npcol + 1 ! 2\n se_nspcs = se_gl_nspcs ! 2\nC -- layer x row\n else if ( ((pos1 .eq. 3) .and. (pos2 .eq. 1)) .or.\n & ((pos1 .eq. 3) .and. (pos2 .eq. 0)) ) then\n se_nrows = (se_gl_nrows - 1) / se_nprow + 1 ! 2\n se_ncols = se_gl_ncols ! 2\n se_nlays = (se_gl_nlays - 1) / se_nprow + 1 ! 2\n se_nspcs = se_gl_nspcs ! 2\nC -- species x layer\n else if ( ((pos1 .eq. 4) .and. (pos2 .eq. 3)) .or.\n & ((pos1 .eq. 4) .and. (pos2 .eq. 0)) ) then\n se_nrows = se_gl_nrows ! 2\n se_ncols = se_gl_ncols ! 2\n se_nlays = (se_gl_nlays - 1) / se_npcol + 1 ! 2\n se_nspcs = (se_gl_nspcs - 1) / se_nprow + 1 ! 2\nC -- row x species\n else if ( (pos1 .eq. 1) .and. (pos2 .eq. 4) ) then\n se_nrows = (se_gl_nrows - 1) / se_nprow + 1 ! 2\n se_ncols = se_gl_ncols ! 2\n se_nlays = se_gl_nlays ! 2\n se_nspcs = (se_gl_nspcs - 1) / se_npcol + 1 ! 2\nC -- column x species\n else\n se_nrows = se_gl_nrows ! 2\n se_ncols = (se_gl_ncols - 1) / se_nprow + 1 ! 2\n se_nlays = se_gl_nlays ! 2\n se_nspcs = (se_gl_nspcs - 1) / se_npcol + 1 ! 2\n end if\n\nC -- determine what type of domain decomposition, logically, the first and \nC second one become the row and column dimension, respectively\n if ( pos2 .gt. 0 ) then\n if ( ((pos1 .eq. 1) .and. (pos2 .eq. 3)) .or.\n & ((pos1 .eq. 3) .and. (pos2 .eq. 4)) ) then\n ldecomp( pos2 ) = 1\n ldecomp( pos1 ) = 2\n else\n ldecomp( pos1 ) = 1\n ldecomp( pos2 ) = 2\n end if\n else\n ldecomp( pos1 ) = 1\n end if\n\nC -- determine the actual size of each dimension locally\n call cal_size ( ldim, ldecomp,\n & se_my_nrows, se_my_ncols, se_my_nlays, se_my_nspcs ) ! 2\n\n do i = 1, 4\n ldim( i ) = ldim( i ) + 1\n end do\n\nC -- determine the actual size of each dimension locally when the global\nC dimension increases by one\n call cal_size ( ldim, ldecomp,\n & se_my_nrowsp1, se_my_ncolsp1, se_my_nlaysp1, se_my_nspcsp1 ) ! 2\n\n return\n end subroutine se_dim_init\n\nC-----------------------------------------------------------------------\nC Purpose:\nC to determine local work load dimensions each PE owns, of a distributed\nC array\n \nC Revision history:\nC Orginal version: 8/10/98 by David Wong\nC 11/05/99 by David Wong\nC -- recode the code using F90 syntax\nC 12/04/02 by David Wong\nC -- modified the routine to accommodate worker and \nC I/O processors partition scheme\n \nC Parameter list:\nC IN: ldim -- global dimension values\nC ldecomp -- indicator of which dimension(s) is/are distributed\nC OUT: rows -- number of rows in a PE\nC cols -- number of columns in a PE \nC lays -- number of layers in a PE\nC spcs -- number of species in a PE\n \nC Local variable description:\nC i -- loop index\nC temp -- a temporary variable\nC tldim -- local copy of ldim\n \nC Include files:\nC se_comm_info.ext\nC se_pe_info.ext\nC-----------------------------------------------------------------------\n\n subroutine cal_size ( ldim, ldecomp, rows, cols, lays, spcs )\n\n use se_comm_info_ext\n use se_pe_info_ext\n\n implicit none\n\n integer, intent( in ) :: ldim( 4 ), ldecomp( 4 )\n integer, intent( out ) :: rows, cols, lays, spcs\n\n integer :: i, temp\n integer :: tldim( 4 )\n\n do i = 1, se_numdim\n tldim( i ) = ldim( i )\n if (ldecomp( i ) .eq. 1) then\nC -- calculating the size of the logical row dimension\n temp = ldim( i )\n tldim( i ) = tldim( i ) / se_nprow\n temp = (temp - tldim( i ) * se_nprow) * se_npcol\n if (se_myworker_pe .lt. temp) then\n tldim( i ) = tldim( i ) + 1\n end if\n else if (ldecomp( i ) .eq. 2) then\nC -- calculating the size of the logical column dimension\n temp = ldim( i )\n tldim( i ) = tldim( i ) / se_npcol\n temp = temp - tldim( i ) * se_npcol\n if (mod(se_myworker_pe, se_npcol) .lt. temp) then\n tldim( i ) = tldim( i ) + 1\n end if\n end if\n end do\n\n rows = tldim( 1 )\n cols = tldim( 2 )\n lays = tldim( 3 )\n spcs = tldim( 4 )\n\n return\n end subroutine cal_size\n\n end module se_init_module\n" }, { "path": "CCTM/src/STENEX/se/se_internal_util_module.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/work/rep/STENEX/src/se_snl/se_internal_util_module.f,v 1.2 2006/02/15 14:47:24 yoj Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC --------------------------------------------------------------------------\nC Purpose:\n \nC -- use F90 module feature to group utility routines so that they can be\nC accessed within se library\n \nC Revision history:\n \nC Orginal version: 11/05/99 by David Wong\nC Documentation and code text changes for se_generate_map: 12/24/05 by Jeff Young\nC --------------------------------------------------------------------------\n\n module se_internal_util_module\n\n implicit none\n\n contains\n\nC -----------------------------------------------------------------------------\nC Purpose:\n \nC To determine mapping of a grid onto a processor configuration with data \nC redistribution by calculating starting and ending row and column. The mapping\nC is kept in each PE. This routine provides flexibility (see routine parameter \nC list) of domain decomposition in the level dimension as well for future use. \nC Currently, only row and column dimensions are decomposed.\nC\nC There are two ways, determined by the existence of an optional variable\nC \"flag\", to generate a map:\nC 1. The incoming parameters are indices of a partitioned sub-grid.\nC (No redistribution)\nC 2. The incoming parameters are indices of the original sub-grid without\nC partition.\n \nC To deal with the first case, no special calculation is done except to assign \nC the incoming indices to the map. Calculation is required for the second case. \nC For example, given 8 processors with 2 x 4 processor configuration (row by\nC column), a 20x25 data grid, a 10 x 5 sub grid starts at (7,5), the following \nC are the starting and ending row and column, respectively.\n \nC PE # row column\nC -----------------------------------------\nC 0 7, 11 5, 6\nC 1 7, 11 7, 7\nC 2 7, 11 8, 8\nC 3 7, 11 9, 9\nC 4 12, 16 5, 6\nC 5 12, 16 7, 7\nC 6 12, 16 8, 8\nC 7 12, 16 9, 9\n \nC Subroutine parameter description:\n \nC In: begrow -- beginning row index\nC endrow -- ending row index\nC begcol -- beginning column index\nC endcol -- ending column index\nC nprow -- number of processors along the row dimension\nC npcol -- number of processors along the column dimension\nC flag -- an optional variable to indicate which one of the two ways\nC to generate a index map\n \nC Out: index -- the index map\n \nC Local variable description:\n \nC error -- mpi function call error code\nC block -- cell base block size (minus 1)\nC nb -- no. cells with base block size (minus 1)\nC prow -- local loop index\nC pcol -- local loop index\nC my_pe -- local processor number\n \nC Include files:\nC\nC mpif.h\nC se_pe_info_ext\nC se_domain_info_ext\nC se_ori_ext\n \nC Revision history:\nC\nC Orginal version: 2/15/99 by David Wong\n \nC 11/05/99 by David Wong\nC -- recode the code using F90 syntax\nC -- provide a centralize spot to modify the global map\nC according to the data orientation\n \nC 10/05/00 by David Wong\nC -- combined two mapping routine into one and using a new\nC optional variable flag to distinguish them\n \nC 12/04/02 by David Wong\nC -- modified the routine to accommodate worker and\nC I/O processors partition scheme\nC -----------------------------------------------------------------------------\n\n subroutine se_generate_map( begrow, endrow, begcol, endcol, \n & nprow, npcol, index, flag )\n\n use se_pe_info_ext\n\n implicit none\n\n include \"mpif.h\"\n\n integer, intent( in ) :: begrow, endrow, begcol, endcol\n integer, intent( in ) :: nprow, npcol\n integer, optional, intent( in ) :: flag\n integer, intent( out ) :: index( :,:,: ) ! actual argument is a pointer\n\n integer :: my_pe, nb, block, prow, pcol, error\n\n if ( se_myworker_pe .ge. 0 ) then\n if ( present( flag ) ) then\n\nC -- set the low and high column and row index of the\nC Process Analysis (PA) grid, respectively\n\n index( 1,1,se_myworker_pe+1 ) = begcol\n index( 2,1,se_myworker_pe+1 ) = endcol\n\n index( 1,2,se_myworker_pe+1 ) = begrow\n index( 2,2,se_myworker_pe+1 ) = endrow\n\nC -- each PE sends PA grid index info to PE 0, gather process\n\n call mpi_gather( index( 1,1,se_myworker_pe+1 ), ! strt addr of send buf\n & 4, ! no. elements in send buf\n & mpi_integer, ! data type in send buf\n & index( 1,1,se_myworker_pe+1 ), ! addr of recv buf (signifcant only at recv process)\n & 4, ! no. elements in recv buf (signifcant only at recv process)\n & mpi_integer, ! data type in recv buf (signifcant only at recv process)\n & 0, ! rank of recv process\n & se_worker_comm, ! communicator\n & error )\n\nC In mpi_gather, each process sends the contents of its send buffer to the recv\nC process, which receives the messages and stores them in rank order.\n\nC -- PE 0 broadcasts entire PA grid index info\n\n call mpi_bcast( index( 1,1,1 ), ! strt addr of send/recv buf\n & 4*se_numworkers, ! no. elements in buf\n & mpi_integer, ! data type in buf\n & 0, ! rank of broadcast process\n & se_worker_comm, ! communicator\n & error )\n\n else\n\nC -- figure out the low and high column and row index of the \nC Process Analysis (PA) grid, respectively\n\n nb = mod( ( endcol - begcol + 1 ), npcol )\n block = ( endcol - begcol + 1 ) / npcol\n do pcol = 0, npcol-1\n\n do prow = 0, nprow-1\n my_pe = prow * npcol + pcol\n if ( pcol .lt. nb ) then\n index( 1,1,my_pe+1 ) = begcol + pcol * ( block + 1 )\n index( 2,1,my_pe+1 ) = index( 1,1,my_pe+1 ) + block\n else\n index( 1,1,my_pe+1 ) = begcol + nb * ( block + 1 )\n & + ( pcol - nb ) * block\n index( 2,1,my_pe+1 ) = index( 1,1,my_pe+1 ) + block - 1\n end if\n end do\n end do\n\n nb = mod( ( endrow - begrow + 1 ), nprow )\n block = ( endrow - begrow + 1 ) / nprow\n do prow = 0, nprow-1\n\n do pcol = 0, npcol-1\n my_pe = prow * npcol + pcol\n if ( prow .lt. nb ) then\n index( 1,2,my_pe+1 ) = begrow + prow * ( block + 1 )\n index( 2,2,my_pe+1 ) = index( 1,2,my_pe+1 ) + block\n else\n index( 1,2,my_pe+1 ) = begrow + nb * ( block + 1 )\n & + ( prow - nb ) * block\n index( 2,2,my_pe+1 ) = index( 1,2,my_pe+1 ) + block - 1\n end if\n end do\n end do\n\n end if\n\n end if\n\n return\n end subroutine se_generate_map\n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC -- to interchange two integer values\nC\nC Revision history:\nC\nC Orginal version: 11/05/99 by David Wong\nC --------------------------------------------------------------------------\n subroutine swap (data1, data2)\n\n implicit none\n\n integer, intent(inout) :: data1, data2\n\n integer :: temp\n\n temp = data1\n data1 = data2\n data2 = temp\n\n return\n end subroutine swap\n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC -- to extract a character string of integer into individual integers\nC\nC Revision history:\nC\nC Orginal version: 11/05/99 by David Wong\nC 05/04/01 by David Wong\nC -- remove all leading double blank spaces\nC 09/19/18 by David Wong\nC -- remove unused variables\nC --------------------------------------------------------------------------\n\n subroutine se_string_to_integer (str, data, n)\n\n character (len = *), intent(inout) :: str\n integer, intent(inout) :: data(*)\n integer, intent(out) :: n\n\n integer i, j, stat\n logical stop\n\nC -- remove all leading double blank spaces\n stop = .false.\n do while (.not. stop)\n i = index(trim(str), \" \")\n if (i == 0) then\n stop = .true.\n else\n do j = i+1, 80\n str(j-1:j-1) = str(j:j)\n end do\n end if\n end do\n\nC -- if the first character is a blank space, remove it\n if (str(1:1) .eq. ' ') then\n str(1:79) = str(2:80)\n end if\n\nC -- extract each individual integer\n stop = .false.\n i = 1\n j = 1\n do while (.not. stop)\n read (str(i:80), *, iostat=stat) data(j)\n if (stat .ne. 0) then\n j = j - 1\n stop = .true.\n else\n j = j + 1\n i = index(str(i:80), ' ') + i\n end if\n end do\n\n n = j\n\n end subroutine se_string_to_integer\n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC -- to modify existing global map when a dot file is encountered (primarily\nC for DFIO application)\nC\nC Revision history:\nC\nC Orginal version: 05/24/01 by David Wong\nC --------------------------------------------------------------------------\n\n subroutine se_dotfile_map (map1, nprow1, npcol1, map2, nprow2, npcol2)\n\n implicit none\n\n integer, intent(inout) :: map1(:,:,:), map2(:,:,:)\n integer, intent(in) :: nprow1, npcol1, nprow2, npcol2\n\n integer :: i\n\n do i = npcol1, nprow1*npcol1, npcol1\n map1(2,1,i) = map1(2,1,i) + 1\n end do\n do i = nprow1*npcol1, nprow1*npcol1-npcol1+1, -1\n map1(2,2,i) = map1(2,2,i) + 1\n end do\n\n do i = 1, nprow2*npcol2\n map2(2,1,i) = map2(2,1,i) + 1\n map2(2,2,i) = map2(2,2,i) + 1\n end do\n\n end subroutine se_dotfile_map\n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC -- to adjust the stencil size for boundary processors when there is/are a\nC NE, SE, SW, or/and NW communication. Consider a 3 x 2 processor \nC configuration as shown below and suppose there is a NE communication:\nC\nC 3 4 5\nC 0 1 2\nC\nC processor 0's NE portion will receive from processor 4. However there is\nC no processor which is NE of processor 4. This routine will make NE \nC portion of processor 4 available and the data is coming from processor \nC 5.\nC\nC Subroutine parameter description:\nC\nC In: ndis -- north displacement\nC edis -- east displacement\nC sdis -- south displacement\nC wdis -- west displacement\nC flag -- indicator: sending (1) or receiving (2)\nC\nC Out: n_adj -- north adjustment\nC e_adj -- east adjustment\nC s_adj -- south adjustment\nC w_adj -- west adjustment\nC\nC Revision history:\nC\nC Orginal version: 1/17/01 by David Wong\nC\nC 12/04/02 by David Wong\nC -- modified the routine to accommodate worker and\nC I/O processors partition scheme\nC --------------------------------------------------------------------------\n subroutine se_corner_adjust (ndis, edis, sdis, wdis, flag,\n & n_adj, e_adj, s_adj, w_adj)\n\n use se_pe_info_ext\n\n implicit none\n\n integer, intent(in) :: ndis, edis, sdis, wdis, flag\n integer, intent(out) :: n_adj, e_adj, s_adj, w_adj\n\n include 'mpif.h'\n\nc integer :: my_pe, error\n\nc call mpi_comm_rank (se_worker_comm, my_pe, error)\n\n n_adj = 0\n e_adj = 0\n s_adj = 0\n w_adj = 0\n\nC -- adjust sending parameters\n if (flag .eq. 1) then\n\nC -- adjustment north and east bound, respectively\n if ((ndis .gt. 0) .and. (edis .gt. 0)) then\n if ((se_myworker_pe .gt. 0) .and. (se_myworker_pe .le. se_npcol-1)) then\n n_adj = ndis\n end if\n if ( (se_myworker_pe .lt. se_npcol*se_nprow-1)\n & .and. (mod(se_myworker_pe, se_npcol) .eq. se_npcol-1)) then\n e_adj = edis\n end if\n end if\n\nC -- adjustment south and east bound, respectively\n if ((sdis .gt. 0) .and. (edis .gt. 0)) then\n if (se_myworker_pe .gt. se_npcol*(se_nprow-1)) then\n s_adj = sdis\n end if\n if ( (se_myworker_pe .gt. se_npcol-1)\n & .and. (mod(se_myworker_pe, se_npcol) .eq. se_npcol-1)) then\n e_adj = edis\n end if\n end if\n\nC -- adjustment south and west bound, respectively\n if ((sdis .gt. 0) .and. (wdis .gt. 0)) then\n if ( (se_myworker_pe .ge. se_npcol*(se_nprow-1))\n & .and. (se_myworker_pe .lt. se_npcol*se_nprow-1)) then\n s_adj = sdis\n end if\n if ((mod(se_myworker_pe, se_npcol) .eq. 0) .and. (se_myworker_pe .gt. 0)) then\n w_adj = wdis\n end if\n end if\n\nC -- adjustment north and west bound, respectively\n if ((ndis .gt. 0) .and. (wdis .gt. 0)) then\n if (se_myworker_pe .lt. se_npcol-1) then\n n_adj = ndis\n end if\n if ( (mod(se_myworker_pe, se_npcol) .eq. 0)\n & .and. (se_myworker_pe .lt. se_npcol*(se_nprow-1))) then\n w_adj = wdis\n end if\n end if\n\n else ! -- adjust receiving parameters\n\nC -- adjustment north and east bound, respectively\n if ((ndis .gt. 0) .and. (edis .gt. 0)) then\n if (se_myworker_pe .lt. se_npcol-1) then\n n_adj = ndis\n end if\n if ( (se_myworker_pe .gt. se_npcol-1)\n & .and. (mod(se_myworker_pe, se_npcol) .eq. se_npcol-1)) then\n e_adj = edis\n end if\n end if\n\nC -- adjustment south and east bound, respectively\n if ((sdis .gt. 0) .and. (edis .gt. 0)) then\n if ( (se_myworker_pe .lt. se_nprow*se_npcol-1)\n & .and. (se_myworker_pe .ge. se_npcol*(se_nprow-1))) then\n s_adj = sdis\n end if\n if ( (se_myworker_pe .lt. se_nprow*se_npcol-1)\n & .and. (mod(se_myworker_pe, se_npcol) .eq. se_npcol-1)) then\n e_adj = edis\n end if\n end if\n\nC -- adjustment south and west bound, respectively\n if ((sdis .gt. 0) .and. (wdis .gt. 0)) then\n if (se_myworker_pe .gt. se_npcol*(se_nprow-1)) then\n s_adj = sdis\n end if\n if ( (mod(se_myworker_pe, se_npcol) .eq. 0)\n & .and. (se_myworker_pe .lt. se_npcol*(se_nprow-1))) then\n w_adj = wdis\n end if\n end if\n\nC -- adjustment north and west bound, respectively\n if ((ndis .gt. 0) .and. (wdis .gt. 0)) then\n if ((se_myworker_pe .lt. se_npcol) .and. (se_myworker_pe .ge. 0)) then\n n_adj = ndis\n end if\n if ((mod(se_myworker_pe, se_npcol) .eq. 0) .and. (se_myworker_pe .gt. 0)) then\n w_adj = wdis\n end if\n end if\n end if\n\n end subroutine se_corner_adjust\n \n end module se_internal_util_module\n" }, { "path": "CCTM/src/STENEX/se/se_modules.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/work/rep/STENEX/src/se_snl/se_modules.f,v 1.1 2004/03/26 16:16:47 yoj Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC to provide an interface between the stencil exchange library and the\nC application code\nC\nC Revision history:\nC\nC Orginal version: 11/05/99 by David Wong\nC 02/27/01 by David Wong\nC -- include two use statements: use se_term_module and\nC use se_reconfig_grid_module\nC 11/27/01 by David Wong\nC -- include a new module: se_bndy_copy_module\nC 08/24/11 by David Wong\nC -- include a new module: se_twoway_comm_module for\nC the WRF-CMAQ twoway model\nC --------------------------------------------------------------------------\n\n module se_modules\n\n use se_init_module\n use se_term_module\n\n use se_util_module\n\n use se_comm_module\n use se_slice_module\n use se_data_copy_module\n use se_gather_module\n\n use se_reconfig_grid_module\n\n use se_bndy_copy_module\n\n use se_global_max_module\n use se_global_min_module\n use se_global_sum_module\n\n use se_global_gather_module\n use se_global_bcast_module\n\n use se_twoway_comm_module\n\n end module se_modules\n" }, { "path": "CCTM/src/STENEX/se/se_pe_info_ext.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/work/rep/STENEX/src/se_snl/se_pe_info_ext.f,v 1.2 2006/02/17 12:55:04 yoj Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC --------------------------------------------------------------------------\nC Note: all these variables with prefix se_ are for stencil exchange library \nC only\nC\nC to define processor info variables:\nC\nC se_numprocs -- number of processors allocated\nC se_npcol -- number of processors allocated along column dimension\nC se_nprow -- number of processors allocated along row dimension\nC se_my_pe -- my logical global processor number\nC se_numworkers -- number of processors in worker partition\nC se_numiopes -- number of processors in I/O partition\nC se_myworker_pe -- my logical worker processor number\nC se_myio_pe -- my logical I/O processor number\nC se_partition_mode -- processor parition mode: 1 -- no parition\nC 2 -- worker + I/O parition\nC se_world_comm -- MPI global communicator\nC se_worker_comm -- MPI worker communicator\nC se_io_comm -- MPI I/O communicator\nC --------------------------------------------------------------------------\n\n module se_pe_info_ext\n\n integer :: se_numprocs\n integer :: se_npcol\n integer :: se_nprow\n integer :: se_my_pe\n\n integer :: se_numworkers\n integer :: se_numiopes\n integer :: se_myworker_pe\n integer :: se_myio_pe\n\n integer :: se_partition_mode\n\n integer :: se_world_comm\n integer :: se_worker_comm\n integer :: se_io_comm\n\n integer, allocatable :: ranks(:)\n\n end module se_pe_info_ext\n" }, { "path": "CCTM/src/STENEX/se/se_reconfig_grid_info_ext.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/work/rep/STENEX/src/se_snl/se_reconfig_grid_info_ext.f,v 1.1 2004/03/26 16:16:47 yoj Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC --------------------------------------------------------------------------\nC Note: -- all these variables with prefix se_ are for stencil exchange library \nC only\nC -- variable *_ptr is a pointer type variable of its counter part *\nC\nC to define grid reconfiguration process common variables:\nC\nC se_reconfig_grid_send_ind -- indexes determine which part of the data is\nC sending\nC se_reconfig_grid_recv_ind -- indexes determine which part of the data is \nC receiving\nC se_reconfig_grid_send -- PE number indicates where data is sending to\nC se_reconfig_grid_recv -- PE number indicates where data is coming from\nC se_grid1_map -- mapping info of grid 1\nC se_grid2_map -- mapping info of grid 2\nC --------------------------------------------------------------------------\n\n module se_reconfig_grid_info_ext\n\n integer, allocatable, save, target :: se_reconfig_grid_send_ind(:,:,:)\n integer, allocatable, save, target :: se_reconfig_grid_recv_ind(:,:,:)\n integer, pointer :: se_reconfig_grid_send_ind_ptr (:, :, :)\n integer, pointer :: se_reconfig_grid_recv_ind_ptr (:, :, :)\n\n integer, allocatable, save, target :: se_reconfig_grid_send(:)\n integer, allocatable, save, target :: se_reconfig_grid_recv(:)\n integer, pointer :: se_reconfig_grid_send_ptr(:)\n integer, pointer :: se_reconfig_grid_recv_ptr(:)\n\n integer, allocatable, target :: se_grid1_map(:,:,:)\n integer, pointer :: se_grid1_map_ptr(:,:,:)\n integer, allocatable, target :: se_grid2_map(:,:,:)\n integer, pointer :: se_grid2_map_ptr(:,:,:)\n\n end module se_reconfig_grid_info_ext\n" }, { "path": "CCTM/src/STENEX/se/se_reconfig_grid_module.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n! RCS file, release, date & time of last delta, author, state, [and locker]\n! $Header: /project/work/rep/STENEX/src/se_snl/se_reconfig_grid_module.f,v 1.2 2006/02/15 15:04:29 yoj Exp $\n\n! what(1) key, module and SID; SCCS file; date and time of last delta:\n! %W% %P% %G% %U%\n\n! --------------------------------------------------------------------------\n! Purpose:\n!\n! use F90 interface feature to achieve \"faked\" polymorphism for grid\n! reconfigureation routines which consists of two major parts: se_grid_to_grid\n! and se_reconfig_data_copy. The former one is to determine data mapping with\n! respect of grid reconfiguration. The latter routine is to conduct messages\n! sending and receiving.\n!\n! Revision history:\n!\n! Orginal version: 02/27/01 by David Wong\n! 03/06/02 David Wong\n! -- use blocking communication scheme\n! -- use array copy mechanism when communicates to itself\n! --------------------------------------------------------------------------\n\n module se_reconfig_grid_module\n\n implicit none\n\n interface se_grid_to_grid\n module procedure se_grid_to_grid2,\n & se_grid_to_grid3,\n & se_grid_to_grid4\n end interface\n\n interface se_reconfig_data_copy\n module procedure se_reconfig_data_copy2,\n & se_reconfig_data_copy3,\n & se_reconfig_data_copy4\n end interface\n\n contains\n\nC -----------------------------------------------------------------------------\n subroutine se_grid_to_grid2 (nprow1, npcol1, map1, data1,\n & nprow2, npcol2, map2, data2)\n\n use se_reconfig_grid_info_ext\n use se_pe_info_ext\n\n implicit none\n\n include \"mpif.h\"\n\n integer, intent(in) :: map1(:,:,:), map2(:,:,:)\n real, intent(inout) :: data1(:,:)\n real, intent(inout) :: data2(:,:)\n integer, intent(in) :: nprow1, npcol1, nprow2, npcol2\n\n integer :: mype\n integer :: tpe, mpe, dpe, error, block, i, j, allocate_status\n integer :: nprow1npcol1, nprow2npcol2\n\n logical :: intersect\n\n nprow1npcol1 = nprow1 * npcol1\n nprow2npcol2 = nprow2 * npcol2\nc mype = se_my_pe\n mype = se_myworker_pe\n\nC -- allocate data\n allocate (se_grid1_map(2,2,0:nprow1npcol1-1),stat=allocate_status)\n if (allocate_status .ne. 0) then\n print *, ' Allocation error '\n stop\n end if\n\n allocate (se_grid2_map(2,2,0:nprow2npcol2-1),stat=allocate_status)\n if (allocate_status .ne. 0) then\n print *, ' Allocation error '\n stop\n end if\n\n se_grid1_map = map1\n se_grid2_map = map2\n\nC -- allocate data\n allocate (se_reconfig_grid_send_ind(2, 4, 0:nprow2npcol2-1), \n & stat=allocate_status)\n if (allocate_status .ne. 0) then\n print *, ' Subroutine SE_SUBGD_INDEX: ',\n & ' allocation erorr in se_reconfig_grid_send_ind'\n stop\n end if\n\n allocate (se_reconfig_grid_recv_ind(2, 4, 0:nprow1npcol1-1), \n & stat=allocate_status)\n if (allocate_status .ne. 0) then\n print *, ' Subroutine SE_SUBGD_INDEX: ',\n & ' allocation erorr in se_reconfig_grid_recv_ind'\n stop\n end if\n\n allocate (se_reconfig_grid_send(0:nprow2npcol2-1), \n & stat=allocate_status)\n if (allocate_status .ne. 0) then\n print *, ' Subroutine SE_SUBGD_INDEX: ',\n & 'allocation erorr in se_reconfig_grid_send'\n stop\n end if\n\n allocate (se_reconfig_grid_recv(0:nprow1npcol1-1), \n & stat=allocate_status)\n if (allocate_status .ne. 0) then\n print *, ' Subroutine SE_SUBGD_INDEX: ',\n & 'allocation erorr in se_reconfig_grid_recv'\n stop\n end if\n\n se_reconfig_grid_send_ind_ptr => se_reconfig_grid_send_ind\n se_reconfig_grid_recv_ind_ptr => se_reconfig_grid_recv_ind\n se_reconfig_grid_send_ptr => se_reconfig_grid_send\n se_reconfig_grid_recv_ptr => se_reconfig_grid_recv\n\n se_reconfig_grid_send = -1\n if (mype .lt. nprow1npcol1) then\n do i = 0, nprow2npcol2-1\n intersect = .true.\n\n if ( (se_grid1_map(1,1,mype) .gt. se_grid2_map(2,1,i))\n & .or. (se_grid1_map(2,1,mype) .lt. se_grid2_map(1,1,i))) then\n intersect = .false.\n else\n if ( (se_grid1_map(1,2,mype) .gt. se_grid2_map(2,2,i))\n & .or. (se_grid1_map(2,2,mype) .lt. se_grid2_map(1,2,i))) \n & then\n intersect = .false.\n end if\n end if\n\n if (intersect) then\n se_reconfig_grid_send_ind(1,1,i) = max(se_grid1_map(1,1,mype),\n & se_grid2_map(1,1,i)) - se_grid1_map(1,1,mype) + 1\n se_reconfig_grid_send_ind(2,1,i) = min(se_grid1_map(2,1,mype),\n & se_grid2_map(2,1,i)) - se_grid1_map(1,1,mype) + 1\n se_reconfig_grid_send_ind(1,2,i) = max(se_grid1_map(1,2,mype),\n & se_grid2_map(1,2,i)) - se_grid1_map(1,2,mype) + 1\n se_reconfig_grid_send_ind(2,2,i) = min(se_grid1_map(2,2,mype),\n & se_grid2_map(2,2,i)) - se_grid1_map(1,2,mype) + 1\n se_reconfig_grid_send(i) = i\n else\n se_reconfig_grid_send(i) = -1\n end if\n end do\n end if\n\nC -- determine data is going to receive from which PE, and corresponding local\nC index\n\n se_reconfig_grid_recv = -1\n\n if (mype .lt. nprow2npcol2) then\n do i = 0, nprow1npcol1-1\n intersect = .true.\n\n if ( (se_grid1_map(1,1,i) .gt. se_grid2_map(2,1,mype))\n & .or. (se_grid1_map(2,1,i) .lt. se_grid2_map(1,1,mype))) then\n intersect = .false.\n else\n if ( (se_grid1_map(1,2,i) .gt. se_grid2_map(2,2,mype))\n & .or. (se_grid1_map(2,2,i) .lt. se_grid2_map(1,2,mype)))then\n intersect = .false.\n end if\n end if\n\n if (intersect) then\n se_reconfig_grid_recv_ind(1,1,i) = max(se_grid1_map(1,1,i), \n & se_grid2_map(1,1,mype)) - se_grid2_map(1,1,mype) + 1\n se_reconfig_grid_recv_ind(2,1,i) = min(se_grid1_map(2,1,i), \n & se_grid2_map(2,1,mype)) - se_grid2_map(1,1,mype) + 1\n se_reconfig_grid_recv_ind(1,2,i) = max(se_grid1_map(1,2,i),\n & se_grid2_map(1,2,mype)) - se_grid2_map(1,2,mype) + 1\n se_reconfig_grid_recv_ind(2,2,i) = min(se_grid1_map(2,2,i),\n & se_grid2_map(2,2,mype)) - se_grid2_map(1,2,mype) + 1\n se_reconfig_grid_recv(i) = i\n end if\n end do\n end if\n\n call se_reconfig_data_copy2 (npcol1, nprow1, data1, \n & npcol2, nprow2, data2)\n\n deallocate (se_grid1_map)\n deallocate (se_grid2_map)\n\n return\n end subroutine se_grid_to_grid2\n\nC -----------------------------------------------------------------------------\n subroutine se_grid_to_grid3 (nprow1, npcol1, map1, data1,\n & nprow2, npcol2, map2, data2)\n\n use se_reconfig_grid_info_ext\n use se_pe_info_ext\n\n implicit none\n\n include \"mpif.h\"\n\n integer, intent(in) :: map1(:,:,:), map2(:,:,:)\n real, intent(inout) :: data1(:,:,:)\n real, intent(inout) :: data2(:,:,:)\n integer, intent(in) :: nprow1, npcol1, nprow2, npcol2\n\n integer :: mype\n integer :: tpe, mpe, dpe, error, block, i, j, allocate_status\n integer :: nprow1npcol1, nprow2npcol2\n\n logical :: intersect\n\n nprow1npcol1 = nprow1 * npcol1\n nprow2npcol2 = nprow2 * npcol2\nc mype = se_my_pe\n mype = se_myworker_pe\n\nC -- allocate data\n allocate (se_grid1_map(2,2,0:nprow1npcol1-1),stat=allocate_status)\n if (allocate_status .ne. 0) then\n print *, ' Allocation error '\n stop\n end if\n\n allocate (se_grid2_map(2,2,0:nprow2npcol2-1),stat=allocate_status)\n if (allocate_status .ne. 0) then\n print *, ' Allocation error '\n stop\n end if\n\n se_grid1_map = map1\n se_grid2_map = map2\n\nC -- allocate data\n if (.not. allocated(se_reconfig_grid_send_ind)) then\n allocate (se_reconfig_grid_send_ind(2, 4, 0:nprow2npcol2-1), \n & stat=allocate_status)\n if (allocate_status .ne. 0) then\n print *, ' Subroutine SE_SUBGD_INDEX: ',\n & ' allocation erorr in se_reconfig_grid_send_ind'\n stop\n end if\n\n allocate (se_reconfig_grid_recv_ind(2, 4, 0:nprow1npcol1-1), \n & stat=allocate_status)\n if (allocate_status .ne. 0) then\n print *, ' Subroutine SE_SUBGD_INDEX: ',\n & ' allocation erorr in se_reconfig_grid_recv_ind'\n stop\n end if\n\n allocate (se_reconfig_grid_send(0:nprow2npcol2-1), \n & stat=allocate_status)\n if (allocate_status .ne. 0) then\n print *, ' Subroutine SE_SUBGD_INDEX: ',\n & 'allocation erorr in se_reconfig_grid_send'\n stop\n end if\n\n allocate (se_reconfig_grid_recv(0:nprow1npcol1-1), \n & stat=allocate_status)\n if (allocate_status .ne. 0) then\n print *, ' Subroutine SE_SUBGD_INDEX: ',\n & 'allocation erorr in se_reconfig_grid_recv'\n stop\n end if\n\n se_reconfig_grid_send_ind_ptr => se_reconfig_grid_send_ind\n se_reconfig_grid_recv_ind_ptr => se_reconfig_grid_recv_ind\n se_reconfig_grid_send_ptr => se_reconfig_grid_send\n se_reconfig_grid_recv_ptr => se_reconfig_grid_recv\n\n end if\n\n se_reconfig_grid_send = -1\n if (mype .lt. nprow1npcol1) then\n do i = 0, nprow2npcol2-1\n intersect = .true.\n\n if ( (se_grid1_map(1,1,mype) .gt. se_grid2_map(2,1,i))\n & .or. (se_grid1_map(2,1,mype) .lt. se_grid2_map(1,1,i))) then\n intersect = .false.\n else\n if ( (se_grid1_map(1,2,mype) .gt. se_grid2_map(2,2,i))\n & .or. (se_grid1_map(2,2,mype) .lt. se_grid2_map(1,2,i))) \n & then\n intersect = .false.\n end if\n end if\n\n if (intersect) then\n se_reconfig_grid_send_ind(1,1,i) = max(se_grid1_map(1,1,mype),\n & se_grid2_map(1,1,i)) - se_grid1_map(1,1,mype) + 1\n se_reconfig_grid_send_ind(2,1,i) = min(se_grid1_map(2,1,mype),\n & se_grid2_map(2,1,i)) - se_grid1_map(1,1,mype) + 1\n se_reconfig_grid_send_ind(1,2,i) = max(se_grid1_map(1,2,mype),\n & se_grid2_map(1,2,i)) - se_grid1_map(1,2,mype) + 1\n se_reconfig_grid_send_ind(2,2,i) = min(se_grid1_map(2,2,mype),\n & se_grid2_map(2,2,i)) - se_grid1_map(1,2,mype) + 1\n se_reconfig_grid_send(i) = i\n else\n se_reconfig_grid_send(i) = -1\n end if\n end do\n end if\n\nC -- determine data is going to receive from which PE, and corresponding local\nC index\n\n se_reconfig_grid_recv = -1\n\n if (mype .lt. nprow2npcol2) then\n do i = 0, nprow1npcol1-1\n intersect = .true.\n\n if ( (se_grid1_map(1,1,i) .gt. se_grid2_map(2,1,mype))\n & .or. (se_grid1_map(2,1,i) .lt. se_grid2_map(1,1,mype))) then\n intersect = .false.\n else\n if ( (se_grid1_map(1,2,i) .gt. se_grid2_map(2,2,mype))\n & .or. (se_grid1_map(2,2,i) .lt. se_grid2_map(1,2,mype)))\n & then\n intersect = .false.\n end if\n end if\n\n if (intersect) then\n se_reconfig_grid_recv_ind(1,1,i) = max(se_grid1_map(1,1,i), \n & se_grid2_map(1,1,mype)) - se_grid2_map(1,1,mype) + 1\n se_reconfig_grid_recv_ind(2,1,i) = min(se_grid1_map(2,1,i), \n & se_grid2_map(2,1,mype)) - se_grid2_map(1,1,mype) + 1\n se_reconfig_grid_recv_ind(1,2,i) = max(se_grid1_map(1,2,i),\n & se_grid2_map(1,2,mype)) - se_grid2_map(1,2,mype) + 1\n se_reconfig_grid_recv_ind(2,2,i) = min(se_grid1_map(2,2,i),\n & se_grid2_map(2,2,mype)) - se_grid2_map(1,2,mype) + 1\n se_reconfig_grid_recv(i) = i\n end if\n end do\n end if\n\n call se_reconfig_data_copy3 (npcol1, nprow1, data1, \n & npcol2, nprow2, data2)\n\n deallocate (se_grid1_map)\n deallocate (se_grid2_map)\n\n return\n end subroutine se_grid_to_grid3\n\nC -----------------------------------------------------------------------------\n subroutine se_grid_to_grid4 (nprow1, npcol1, map1, data1,\n & nprow2, npcol2, map2, data2)\n\n use se_reconfig_grid_info_ext\n use se_pe_info_ext\n\n implicit none\n\n include \"mpif.h\"\n\n integer, intent(in) :: map1(:,:,:), map2(:,:,:)\n real, intent(inout) :: data1(:,:,:,:)\n real, intent(inout) :: data2(:,:,:,:)\n integer, intent(in) :: nprow1, npcol1, nprow2, npcol2\n\n integer :: mype\n integer :: tpe, mpe, dpe, error, block, i, j, allocate_status\n integer :: nprow1npcol1, nprow2npcol2\n\n logical, save :: firstime\n data firstime / .true. /\n\n logical :: intersect\n\n nprow1npcol1 = nprow1 * npcol1\n nprow2npcol2 = nprow2 * npcol2\nc mype = se_my_pe\n mype = se_myworker_pe\n\nC -- allocate data\n allocate (se_grid1_map(2,2,0:nprow1npcol1-1),stat=allocate_status)\n if (allocate_status .ne. 0) then\n print *, ' Allocation error '\n stop\n end if\n\n allocate (se_grid2_map(2,2,0:nprow2npcol2-1),stat=allocate_status)\n if (allocate_status .ne. 0) then\n print *, ' Allocation error '\n stop\n end if\n\n se_grid1_map = map1\n se_grid2_map = map2\n\n if (firstime) then\n firstime = .false.\nC -- allocate data\n allocate (se_reconfig_grid_send_ind(2, 4, 0:nprow2npcol2-1),\n & stat=allocate_status)\n if (allocate_status .ne. 0) then\n print *, ' Subroutine se_grid_to_grid4: ',\n & ' allocation erorr in se_reconfig_grid_send_ind'\n stop\n end if\n\n allocate (se_reconfig_grid_recv_ind(2, 4, 0:nprow1npcol1-1),\n & stat=allocate_status)\n if (allocate_status .ne. 0) then\n print *, ' Subroutine se_grid_to_grid4: ',\n & ' allocation erorr in se_reconfig_grid_recv_ind'\n stop\n end if\n\n allocate (se_reconfig_grid_send(0:nprow2npcol2-1),\n & stat=allocate_status)\n if (allocate_status .ne. 0) then\n print *, ' Subroutine SE_SUBGD_INDEX: ',\n & 'allocation erorr in se_reconfig_grid_send'\n stop\n end if\n\n allocate (se_reconfig_grid_recv(0:nprow1npcol1-1),\n & stat=allocate_status)\n if (allocate_status .ne. 0) then\n print *, ' Subroutine SE_SUBGD_INDEX: ',\n & 'allocation erorr in se_reconfig_grid_recv'\n stop\n end if\n\n se_reconfig_grid_send_ind_ptr => se_reconfig_grid_send_ind\n se_reconfig_grid_recv_ind_ptr => se_reconfig_grid_recv_ind\n se_reconfig_grid_send_ptr => se_reconfig_grid_send\n se_reconfig_grid_recv_ptr => se_reconfig_grid_recv\n end if\n\n se_reconfig_grid_send = -1\n if (mype .lt. nprow1npcol1) then\n do i = 0, nprow2npcol2-1\n intersect = .true.\n\n if ( (se_grid1_map(1,1,mype) .gt. se_grid2_map(2,1,i))\n & .or. (se_grid1_map(2,1,mype) .lt. se_grid2_map(1,1,i))) then\n intersect = .false.\n else\n if ( (se_grid1_map(1,2,mype) .gt. se_grid2_map(2,2,i))\n & .or. (se_grid1_map(2,2,mype) .lt. se_grid2_map(1,2,i))) \n & then\n intersect = .false.\n end if\n end if\n\n if (intersect) then\n se_reconfig_grid_send_ind(1,1,i) = max(se_grid1_map(1,1,mype),\n & se_grid2_map(1,1,i)) - se_grid1_map(1,1,mype) + 1\n se_reconfig_grid_send_ind(2,1,i) = min(se_grid1_map(2,1,mype),\n & se_grid2_map(2,1,i)) - se_grid1_map(1,1,mype) + 1\n se_reconfig_grid_send_ind(1,2,i) = max(se_grid1_map(1,2,mype),\n & se_grid2_map(1,2,i)) - se_grid1_map(1,2,mype) + 1\n se_reconfig_grid_send_ind(2,2,i) = min(se_grid1_map(2,2,mype),\n & se_grid2_map(2,2,i)) - se_grid1_map(1,2,mype) + 1\n se_reconfig_grid_send(i) = i\n else\n se_reconfig_grid_send(i) = -1\n end if\n end do\n end if\n\nC -- determine data is going to receive from which PE, and corresponding local\nC index\n\n se_reconfig_grid_recv = -1\n\n if (mype .lt. nprow2npcol2) then\n do i = 0, nprow1npcol1-1\n intersect = .true.\n\n if ( (se_grid1_map(1,1,i) .gt. se_grid2_map(2,1,mype))\n & .or. (se_grid1_map(2,1,i) .lt. se_grid2_map(1,1,mype))) then\n intersect = .false.\n else\n if ( (se_grid1_map(1,2,i) .gt. se_grid2_map(2,2,mype))\n & .or. (se_grid1_map(2,2,i) .lt. se_grid2_map(1,2,mype)))\n & then\n intersect = .false.\n end if\n end if\n\n if (intersect) then\n se_reconfig_grid_recv_ind(1,1,i) = max(se_grid1_map(1,1,i),\n & se_grid2_map(1,1,mype)) - se_grid2_map(1,1,mype) + 1\n se_reconfig_grid_recv_ind(2,1,i) = min(se_grid1_map(2,1,i),\n & se_grid2_map(2,1,mype)) - se_grid2_map(1,1,mype) + 1\n se_reconfig_grid_recv_ind(1,2,i) = max(se_grid1_map(1,2,i),\n & se_grid2_map(1,2,mype)) - se_grid2_map(1,2,mype) + 1\n se_reconfig_grid_recv_ind(2,2,i) = min(se_grid1_map(2,2,i),\n & se_grid2_map(2,2,mype)) - se_grid2_map(1,2,mype) + 1\n se_reconfig_grid_recv(i) = i\n end if\n end do\n end if\n\n call se_reconfig_data_copy4 (npcol1, nprow1, data1,\n & npcol2, nprow2, data2)\n\n deallocate (se_grid1_map)\n deallocate (se_grid2_map)\n\n return\n end subroutine se_grid_to_grid4\n\nC --------------------------------------------------------------------------\n subroutine se_reconfig_data_copy2 (nprow1, npcol1, data1, \n & nprow2, npcol2, data2)\n\n use se_reconfig_grid_info_ext\n use se_pe_info_ext\n use se_data_send_module\n use se_data_recv_module\n\n implicit none\n\n include \"mpif.h\"\n\n integer, intent(in) :: nprow1, npcol1, nprow2, npcol2\n real, intent(in) :: data1(:, :)\n real, intent(out) :: data2(:, :)\n\n integer :: dir, sdir, rdir, tag\n integer :: request, status(MPI_STATUS_SIZE), error\n\n do dir = 0, max(nprow1*npcol1-1, nprow2*npcol2-1)\n\n if (dir .lt. nprow2*npcol2) then\n sdir = dir\n\nc if ((se_reconfig_grid_send(sdir) .eq. se_my_pe) .and.\n if ((se_reconfig_grid_send(sdir) .eq. se_myworker_pe) .and.\n & (dir .lt. nprow1*npcol1)) then\n\n data2( se_reconfig_grid_recv_ind(1,1,sdir)\n & :se_reconfig_grid_recv_ind(2,1,sdir),\n & se_reconfig_grid_recv_ind(1,2,sdir)\n & :se_reconfig_grid_recv_ind(2,2,sdir))\n & =\n & data1( se_reconfig_grid_send_ind(1,1,sdir)\n & :se_reconfig_grid_send_ind(2,1,sdir),\n & se_reconfig_grid_send_ind(1,2,sdir)\n & :se_reconfig_grid_send_ind(2,2,sdir))\n\n else\n\n if (se_reconfig_grid_send(sdir) .ge. 0) then\nc tag = (sdir + 1) * 10000 + se_my_pe\n tag = (sdir + 1) * 10000 + se_myworker_pe\n call se_data_send (data1, se_reconfig_grid_send_ind_ptr,\n & se_reconfig_grid_send_ptr, sdir, tag, \n & request)\n end if\n end if\n end if\n\n if (dir .lt. nprow1*npcol1) then\n rdir = dir\n\n if ((se_reconfig_grid_recv(rdir) .ge. 0) .and.\n & (se_reconfig_grid_recv(rdir) .ne. se_myworker_pe)) then\nc & (se_reconfig_grid_recv(rdir) .ne. se_my_pe)) then\n tag = (se_myworker_pe + 1) * 10000 + rdir\nc tag = (se_my_pe + 1) * 10000 + rdir\n call se_data_recv (data2, se_reconfig_grid_recv_ind_ptr,\n & se_reconfig_grid_recv_ptr, rdir, tag)\n end if\n end if\n\nc if ((dir .lt. nprow2*npcol2) .and.\nc & (se_reconfig_grid_send(sdir) .ge. 0)) then\nc call mpi_wait (request, status, error)\nc end if\n\n end do\n\n return\n end subroutine se_reconfig_data_copy2\n\nC --------------------------------------------------------------------------\n subroutine se_reconfig_data_copy3 (nprow1, npcol1, data1, \n & nprow2, npcol2, data2)\n\n use se_reconfig_grid_info_ext\n use se_pe_info_ext\n use se_domain_info_ext\n use se_data_send_module\n use se_data_recv_module\n\n implicit none\n\n include \"mpif.h\"\n\n integer, intent(in) :: nprow1, npcol1, nprow2, npcol2\n real, intent(in) :: data1(:, :, :)\n real, intent(out) :: data2(:, :, :)\n\n integer :: i, dir, sdir, rdir, tag\n integer :: request, status(MPI_STATUS_SIZE), error\n\n do i = 0, nprow2*npcol2-1\n se_reconfig_grid_send_ind(1,3,i) = 1\n se_reconfig_grid_send_ind(2,3,i) = size(data1,3)\n end do\n\n do i = 0, nprow1*npcol1-1\n se_reconfig_grid_recv_ind(1,3,i) = 1\n se_reconfig_grid_recv_ind(2,3,i) = size(data1,3)\n end do\n\n do dir = 0, max(nprow1*npcol1-1, nprow2*npcol2-1)\n\n if (dir .lt. nprow2*npcol2) then\n sdir = dir\n\nc if ((se_reconfig_grid_send(sdir) .eq. se_my_pe) .and.\n if ((se_reconfig_grid_send(sdir) .eq. se_myworker_pe) .and.\n & (dir .lt. nprow1*npcol1)) then\n\n data2( se_reconfig_grid_recv_ind(1,1,sdir)\n & :se_reconfig_grid_recv_ind(2,1,sdir),\n & se_reconfig_grid_recv_ind(1,2,sdir)\n & :se_reconfig_grid_recv_ind(2,2,sdir),\n & se_reconfig_grid_recv_ind(1,3,sdir)\n & :se_reconfig_grid_recv_ind(2,3,sdir))\n & =\n & data1( se_reconfig_grid_send_ind(1,1,sdir)\n & :se_reconfig_grid_send_ind(2,1,sdir),\n & se_reconfig_grid_send_ind(1,2,sdir)\n & :se_reconfig_grid_send_ind(2,2,sdir),\n & se_reconfig_grid_send_ind(1,3,sdir)\n & :se_reconfig_grid_send_ind(2,3,sdir))\n\n else\n\n if (se_reconfig_grid_send(sdir) .ge. 0) then\nc tag = (sdir + 1) * 10000 + se_my_pe\n tag = (sdir + 1) * 10000 + se_myworker_pe\n\n call se_data_send (data1, se_reconfig_grid_send_ind_ptr,\n & se_reconfig_grid_send_ptr, sdir, tag, \n & request)\n end if\n\n end if\n end if\n\n if (dir .lt. nprow1*npcol1) then\n rdir = dir\n if ((se_reconfig_grid_recv(rdir) .ge. 0) .and.\n & (se_reconfig_grid_recv(rdir) .ne. se_myworker_pe)) then\nc & (se_reconfig_grid_recv(rdir) .ne. se_my_pe)) then\nc tag = (se_my_pe + 1) * 10000 + rdir\n tag = (se_myworker_pe + 1) * 10000 + rdir\n\n call se_data_recv (data2, se_reconfig_grid_recv_ind_ptr,\n & se_reconfig_grid_recv_ptr, rdir, tag)\n end if\n end if\n\nc if ((dir .lt. nprow2*npcol2) .and. \nc & (se_reconfig_grid_send(sdir) .ge. 0)) then\nc call mpi_wait (request, status, error)\nc end if\n\n end do\n\n return\n end subroutine se_reconfig_data_copy3\n\nC --------------------------------------------------------------------------\n subroutine se_reconfig_data_copy4 (nprow1, npcol1, data1, \n & nprow2, npcol2, data2)\n\n use se_reconfig_grid_info_ext\n use se_pe_info_ext\n use se_domain_info_ext\n use se_data_send_module\n use se_data_recv_module\n\n implicit none\n\n include \"mpif.h\"\n\n integer, intent(in) :: nprow1, npcol1, nprow2, npcol2\n real, intent(in) :: data1(:, :, :, :)\n real, intent(out) :: data2(:, :, :, :)\n\n integer :: i, dir, sdir, rdir, tag\n integer :: request, status(MPI_STATUS_SIZE), error\n\n do i = 0, nprow2*npcol2-1\n se_reconfig_grid_send_ind(1,3,i) = 1\n se_reconfig_grid_send_ind(2,3,i) = size(data1,3)\n se_reconfig_grid_send_ind(1,4,i) = 1\n se_reconfig_grid_send_ind(2,4,i) = size(data1,4)\n end do\n\n do i = 0, nprow1*npcol1-1\n se_reconfig_grid_recv_ind(1,3,i) = 1\n se_reconfig_grid_recv_ind(2,3,i) = size(data1,3)\n se_reconfig_grid_recv_ind(1,4,i) = 1\n se_reconfig_grid_recv_ind(2,4,i) = size(data1,4)\n end do\n\n do dir = 0, max(nprow1*npcol1-1, nprow2*npcol2-1)\n\n if (dir .lt. nprow2*npcol2) then\n sdir = dir\n\nc if ((se_reconfig_grid_send(sdir) .eq. se_my_pe) .and.\n if ((se_reconfig_grid_send(sdir) .eq. se_myworker_pe) .and.\n & (dir .lt. nprow1*npcol1)) then\n\n data2( se_reconfig_grid_recv_ind(1,1,sdir)\n & :se_reconfig_grid_recv_ind(2,1,sdir),\n & se_reconfig_grid_recv_ind(1,2,sdir)\n & :se_reconfig_grid_recv_ind(2,2,sdir),\n & se_reconfig_grid_recv_ind(1,3,sdir)\n & :se_reconfig_grid_recv_ind(2,3,sdir),\n & se_reconfig_grid_recv_ind(1,4,sdir)\n & :se_reconfig_grid_recv_ind(2,4,sdir))\n & =\n & data1( se_reconfig_grid_send_ind(1,1,sdir)\n & :se_reconfig_grid_send_ind(2,1,sdir),\n & se_reconfig_grid_send_ind(1,2,sdir)\n & :se_reconfig_grid_send_ind(2,2,sdir),\n & se_reconfig_grid_send_ind(1,3,sdir)\n & :se_reconfig_grid_send_ind(2,3,sdir),\n & se_reconfig_grid_send_ind(1,4,sdir)\n & :se_reconfig_grid_send_ind(2,4,sdir))\n\n else\n\n if (se_reconfig_grid_send(sdir) .ge. 0) then\nc tag = (sdir + 1) * 10000 + se_my_pe\n tag = (sdir + 1) * 10000 + se_myworker_pe\n\n call se_data_send (data1, se_reconfig_grid_send_ind_ptr,\n & se_reconfig_grid_send_ptr, sdir, tag, \n & request)\n end if\n\n end if\n end if\n\n if (dir .lt. nprow1*npcol1) then\n rdir = dir\n\n if ((se_reconfig_grid_recv(rdir) .ge. 0) .and.\n & (se_reconfig_grid_recv(rdir) .ne. se_myworker_pe)) then\nc & (se_reconfig_grid_recv(rdir) .ne. se_my_pe)) then\nc tag = (se_my_pe + 1) * 10000 + rdir\n tag = (se_myworker_pe + 1) * 10000 + rdir\n\n call se_data_recv (data2, se_reconfig_grid_recv_ind_ptr,\n & se_reconfig_grid_recv_ptr, rdir, tag)\n end if\n end if\n\nc if ((dir .lt. nprow2*npcol2) .and.\nc & (se_reconfig_grid_send(sdir) .ge. 0)) then\nc call mpi_wait (request, status, error)\nc end if\n\n end do\n\n return\n end subroutine se_reconfig_data_copy4\n\n end module se_reconfig_grid_module\n" }, { "path": "CCTM/src/STENEX/se/se_slice_module.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/work/rep/STENEX/src/se_snl/se_slice_module.f,v 1.2 2006/02/15 14:41:56 yoj Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC use F90 interface feature to achieve \"faked\" polymorphism for data\nC slicing routine\nC\nC Revision history:\nC\nC Orginal version: 11/05/99 by David Wong\nC Add integer data 12/16/00 by Jeff Young\nC --------------------------------------------------------------------------\n\n module se_slice_module\n\n implicit none\n\n interface se_slice\n module procedure se_slice1i, se_slice1r,\n & se_slice2i, se_slice2r,\n & se_slice3i, se_slice3r,\n & se_slice4i, se_slice4r\n end interface\n\n contains\n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC to perform transferring a slice of a 1-D integer data \nC\nC Revision history:\nC\nC Orginal version: 5/26/99 by David Wong \nC 11/05/99 by David Wong\nC -- recode the code using F90 syntax\nC 12/04/02 by David Wong\nC -- modified the routine to accommodate worker and \nC I/O processors partition scheme\nC\nC Subroutine parameter description:\nC\nC In: data -- original data\nC sourcepe -- source PE\nC destpe -- target PE\nC sdim -- slicing dimension\nC from -- index of the slicing source\nC to -- index of the slicing destination\nC\nC Out: data -- original data after communication\nC\nC Local variable description:\nC\nC status -- return status of MPI_RECEIVING call\nC error -- error code of invoking MPI calls\nC\nC Include file:\nC\nC se_pe_info.ext\nC\nC Subroutine/Function call:\nC\nC mpi_send\nC mpi_recv\nC\nC --------------------------------------------------------------------------\n\n subroutine se_slice1i (data, sourcepe, destpe, sdim, from, to)\n\n use se_pe_info_ext\n\n implicit none\n\n include \"mpif.h\"\n\n integer, intent(inout) :: data(:)\n integer, intent(in) :: sourcepe, destpe, sdim, from, to\n\n integer :: error\n integer :: status(MPI_STATUS_SIZE)\n\n if ((sourcepe .ge. 0) .and. (destpe .ge. 0) .and. \n & (sourcepe .ne. destpe)) then\n if (se_myworker_pe .eq. sourcepe) then\n\nC -- send data to corresponding processor \n\n call mpi_send (data(from), 1, mpi_integer, destpe,\n & sourcepe, se_worker_comm, error)\n\n else if (se_myworker_pe .eq. destpe) then\n\nC -- receive data from corresponding processor\n\n call mpi_recv (data(to), 1, mpi_integer, sourcepe,\n & sourcepe, se_worker_comm, status, error)\n\n end if\n end if\n\n return\n end subroutine se_slice1i\n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC to perform transferring a slice of a 1-D real data \nC\nC Revision history:\nC\nC Orginal version: 5/26/99 by David Wong \nC 11/05/99 by David Wong\nC -- recode the code using F90 syntax\nC 12/04/02 by David Wong\nC -- modified the routine to accommodate worker and\nC I/O processors partition scheme\nC\nC Subroutine parameter description:\nC\nC In: data -- original data\nC sourcepe -- source PE\nC destpe -- target PE\nC sdim -- slicing dimension\nC from -- index of the slicing source\nC to -- index of the slicing destination\nC\nC Out: data -- original data after communication\nC\nC Local variable description:\nC\nC status -- return status of MPI_RECEIVING call\nC error -- error code of invoking MPI calls\nC\nC Include file:\nC\nC se_pe_info.ext\nC\nC Subroutine/Function call:\nC\nC mpi_send\nC mpi_recv\nC\nC --------------------------------------------------------------------------\n\n subroutine se_slice1r (data, sourcepe, destpe, sdim, from, to)\n\n use se_pe_info_ext\n\n implicit none\n\n include \"mpif.h\"\n\n real, intent(inout) :: data(:)\n integer, intent(in) :: sourcepe, destpe, sdim, from, to\n\n integer :: error\n integer :: status(MPI_STATUS_SIZE)\n\n if ((sourcepe .ge. 0) .and. (destpe .ge. 0) .and. \n & (sourcepe .ne. destpe)) then\n if (se_myworker_pe .eq. sourcepe) then\n\nC -- send data to corresponding processor \n\n call mpi_send (data(from), 1, mpi_real, destpe,\n & sourcepe, se_worker_comm, error)\n\n else if (se_myworker_pe .eq. destpe) then\n\nC -- receive data from corresponding processor\n\n call mpi_recv (data(to), 1, mpi_real, sourcepe,\n & sourcepe, se_worker_comm, status, error)\n\n end if\n end if\n\n return\n end subroutine se_slice1r\n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC transfer a slice of a 2-D integer array \nC\nC Revision history:\nC\nC Orginal version: 5/26/99 by David Wong \nC 11/05/99 by David Wong\nC -- recode the code using F90 syntax\nC 12/16/00 by Jeff Young\nC -- mod for integer data\nC 12/04/02 by David Wong\nC -- modified the routine to accommodate worker and\nC I/O processors partition scheme\nC 09/19/18 by David Wong\nC -- removed unused variable\nC\nC Subroutine parameter description:\nC\nC In: data -- original data\nC sourcepe -- source PE\nC destpe -- target PE\nC sdim -- slicing dimension\nC from -- index of the slicing source\nC to -- index of the slicing destination\nC\nC Out: data -- original data after communication\nC\nC Local variable description:\nC\nC i, j -- loop indexes\nC li, ui -- local low and upper index of i dimension\nC lj, uj -- local low and upper index of j dimension\nC status -- return status of MPI_RECEIVING call\nC error -- error code of invoking MPI calls\nC scount -- number of items need to be sent\nC rcount -- number of items are expected to receive\nC sarray -- array to hold sending data\nC rarray -- array to hold receiving data\nC\nC Include file:\nC\nC se_pe_info.ext\nC\nC Subroutine/Function call:\nC\nC mpi_send\nC mpi_recv\nC\nC --------------------------------------------------------------------------\n\n subroutine se_slice2i (data, sourcepe, destpe, sdim, from, to)\n\n use se_pe_info_ext\n\n implicit none\n\n include \"mpif.h\"\n \n integer, intent(inout) :: data(:,:)\n integer, intent(in) :: sourcepe, destpe, sdim, from, to\n\n integer :: error\n integer :: i, j, li, lj, ui, uj\n integer :: status(MPI_STATUS_SIZE)\n integer :: scount, rcount\n integer :: sarray(size(data)), rarray(size(data))\n\nC -- send data to corresponding processor \n\n if ((sourcepe .ge. 0) .and. (destpe .ge. 0) .and.\n & (sourcepe .ne. destpe)) then\n\n li = lbound(data,1)\n ui = ubound(data,1)\n lj = lbound(data,2)\n uj = ubound(data,2)\n\n if (se_myworker_pe .eq. sourcepe) then\n\n if (sdim .eq. 1) then\n li = from\n ui = from\n else\n lj = from\n uj = from\n end if\n\n scount = 0\nC -- pack data for sending\n do j = lj, uj\n do i = li, ui\n scount = scount + 1\n sarray(scount) = data(i,j)\n end do\n end do\n\n call mpi_send (sarray, scount, mpi_integer, destpe,\n & sourcepe, se_worker_comm, error)\n\n else if (se_myworker_pe .eq. destpe) then\n\n if (sdim .eq. 1) then\n li = to\n ui = to\n else\n lj = to\n uj = to\n end if\n\nC -- receive data from corresponding processor\n\n rcount = (ui - li + 1) * (uj - lj + 1)\n\n call mpi_recv (rarray, rcount, mpi_integer, sourcepe,\n & sourcepe, se_worker_comm, status, error)\n\nC -- unpack received data\n rcount = 0\n do j = lj, uj\n do i = li, ui\n rcount = rcount + 1\n data(i,j) = rarray(rcount) \n end do\n end do\n\n end if\n end if\n\n return\n end subroutine se_slice2i\n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC to perform transferring a slice of a 2-D real data \nC\nC Revision history:\nC\nC Orginal version: 5/26/99 by David Wong \nC 11/05/99 by David Wong\nC -- recode the code using F90 syntax\nC 12/04/02 by David Wong\nC -- modified the routine to accommodate worker and\nC I/O processors partition scheme\nC 09/19/18 by David Wong\nC -- removed unused variable\nC\nC Subroutine parameter description:\nC\nC In: data -- original data\nC sourcepe -- source PE\nC destpe -- target PE\nC sdim -- slicing dimension\nC from -- index of the slicing source\nC to -- index of the slicing destination\nC\nC Out: data -- original data after communication\nC\nC Local variable description:\nC\nC i, j -- loop indexes\nC li, ui -- local low and upper index of i dimension\nC lj, uj -- local low and upper index of j dimension\nC status -- return status of MPI_RECEIVING call\nC error -- error code of invoking MPI calls\nC scount -- number of items need to be sent\nC rcount -- number of items are expected to receive\nC sarray -- array to hold sending data\nC rarray -- array to hold receiving data\nC\nC Include file:\nC\nC se_pe_info.ext\nC\nC Subroutine/Function call:\nC\nC mpi_send\nC mpi_recv\nC\nC --------------------------------------------------------------------------\n\n subroutine se_slice2r (data, sourcepe, destpe, sdim, from, to)\n\n use se_pe_info_ext\n\n implicit none\n\n include \"mpif.h\"\n \n real, intent(inout) :: data(:,:)\n integer, intent(in) :: sourcepe, destpe, sdim, from, to\n\n integer :: error\n integer :: i, j, li, lj, ui, uj\n integer :: status(MPI_STATUS_SIZE)\n integer :: scount, rcount\n real :: sarray(size(data)), rarray(size(data))\n\nC -- send data to corresponding processor \n\n if ((sourcepe .ge. 0) .and. (destpe .ge. 0) .and.\n & (sourcepe .ne. destpe)) then\n\n li = lbound(data,1)\n ui = ubound(data,1)\n lj = lbound(data,2)\n uj = ubound(data,2)\n\n if (se_myworker_pe .eq. sourcepe) then\n\n if (sdim .eq. 1) then\n li = from\n ui = from\n else\n lj = from\n uj = from\n end if\n\n scount = 0\nC -- pack data for sending\n do j = lj, uj\n do i = li, ui\n scount = scount + 1\n sarray(scount) = data(i,j)\n end do\n end do\n\n call mpi_send (sarray, scount, mpi_real, destpe,\n & sourcepe, se_worker_comm, error)\n\n else if (se_myworker_pe .eq. destpe) then\n\n if (sdim .eq. 1) then\n li = to\n ui = to\n else\n lj = to\n uj = to\n end if\n\nC -- receive data from corresponding processor\n\n rcount = (ui - li + 1) * (uj - lj + 1)\n\n call mpi_recv (rarray, rcount, mpi_real, sourcepe,\n & sourcepe, se_worker_comm, status, error)\n\nC -- unpack received data\n rcount = 0\n do j = lj, uj\n do i = li, ui\n rcount = rcount + 1\n data(i,j) = rarray(rcount) \n end do\n end do\n\n end if\n end if\n\n return\n end subroutine se_slice2r\n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC transfer a slice of a 3-D integer array \nC\nC Revision history:\nC\nC Orginal version: 5/26/99 by David Wong \nC 11/05/99 by David Wong\nC -- recode the code using F90 syntax\nC 12/16/00 by Jeff Young\nC -- mod for integer data\nC 12/04/02 by David Wong\nC -- modified the routine to accommodate worker and\nC I/O processors partition scheme\nC\nC Subroutine parameter description:\nC\nC In: data -- original data\nC sourcepe -- source PE\nC destpe -- target PE\nC sdim -- slicing dimension\nC from -- index of the slicing source\nC to -- index of the slicing destination\nC\nC Out: data -- original data after communication\nC\nC Local variable description:\nC\nC i, j, k -- loop indexes\nC li, ui -- local low and upper index of i dimension\nC lj, uj -- local low and upper index of j dimension\nC lk, uk -- local low and upper index of k dimension\nC status -- return status of MPI_RECEIVING call\nC error -- error code of invoking MPI calls\nC scount -- number of items need to be sent\nC rcount -- number of items are expected to receive\nC sarray -- array to hold sending data\nC rarray -- array to hold receiving data\nC\nC Include file:\nC\nC se_pe_info.ext\nC\nC Subroutine/Function call:\nC\nC mpi_send\nC mpi_recv\nC\nC --------------------------------------------------------------------------\n\n subroutine se_slice3i (data, sourcepe, destpe, sdim, from, to)\n\n use se_pe_info_ext\n\n implicit none\n\n integer, intent(inout) :: data(:,:,:)\n integer, intent(in) :: sourcepe, destpe, sdim, from, to\n\n include \"mpif.h\"\n \n integer :: error\n integer :: i, j, k, li, lj, lk, ui, uj, uk\n integer :: status(MPI_STATUS_SIZE)\n integer :: scount, rcount\n integer :: sarray(size(data)), rarray(size(data))\n\n if ((sourcepe .ge. 0) .and. (destpe .ge. 0) .and.\n & (sourcepe .ne. destpe)) then\n\nC -- send data to corresponding processor \n\n li = lbound(data,1)\n ui = ubound(data,1)\n lj = lbound(data,2)\n uj = ubound(data,2)\n lk = lbound(data,3)\n uk = ubound(data,3)\n\n if (se_myworker_pe .eq. sourcepe) then\n\n if (sdim .eq. 1) then\n li = from\n ui = from\n else if (sdim .eq. 2) then\n lj = from\n uj = from\n else\n lk = from\n uk = from\n end if\n\n scount = 0\nC -- pack data for sending\n do k = lk, uk\n do j = lj, uj\n do i = li, ui\n scount = scount + 1\n sarray(scount) = data(i,j,k)\n end do\n end do\n end do\n\n call mpi_send (sarray, scount, mpi_integer, destpe,\n & sourcepe, se_worker_comm, error)\n\n else if (se_myworker_pe .eq. destpe) then\n\n if (sdim .eq. 1) then\n li = to\n ui = to\n else if (sdim .eq. 2) then\n lj = to\n uj = to\n else\n lk = to\n uk = to\n end if\n\nC -- receive data from corresponding processor\n\n rcount = (ui - li + 1) * (uj - lj + 1) * (uk - lk + 1)\n\n call mpi_recv (rarray, rcount, mpi_integer, sourcepe,\n & sourcepe, se_worker_comm, status, error)\n\nC -- unpack received data\n rcount = 0\n do k = lk, uk\n do j = lj, uj\n do i = li, ui\n rcount = rcount + 1\n data(i,j,k) = rarray(rcount) \n end do\n end do\n end do\n\n end if\n end if\n\n return\n end subroutine se_slice3i\n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC to perform transferring a slice of a 3-D data \nC\nC Revision history:\nC\nC Orginal version: 5/26/99 by David Wong \nC 11/05/99 by David Wong\nC -- recode the code using F90 syntax\nC 12/04/02 by David Wong\nC -- modified the routine to accommodate worker and\nC I/O processors partition scheme\nC\nC Subroutine parameter description:\nC\nC In: data -- original data\nC sourcepe -- source PE\nC destpe -- target PE\nC sdim -- slicing dimension\nC from -- index of the slicing source\nC to -- index of the slicing destination\nC\nC Out: data -- original data after communication\nC\nC Local variable description:\nC\nC i, j, k -- loop indexes\nC li, ui -- local low and upper index of i dimension\nC lj, uj -- local low and upper index of j dimension\nC lk, uk -- local low and upper index of k dimension\nC status -- return status of MPI_RECEIVING call\nC error -- error code of invoking MPI calls\nC scount -- number of items need to be sent\nC rcount -- number of items are expected to receive\nC sarray -- array to hold sending data\nC rarray -- array to hold receiving data\nC\nC Include file:\nC\nC se_pe_info.ext\nC\nC Subroutine/Function call:\nC\nC mpi_send\nC mpi_recv\nC\nC --------------------------------------------------------------------------\n\n subroutine se_slice3r (data, sourcepe, destpe, sdim, from, to)\n\n use se_pe_info_ext\n\n implicit none\n\n real, intent(inout) :: data(:,:,:)\n integer, intent(in) :: sourcepe, destpe, sdim, from, to\n\n include \"mpif.h\"\n \n integer :: error\n integer :: i, j, k, li, lj, lk, ui, uj, uk\n integer :: status(MPI_STATUS_SIZE)\n integer :: scount, rcount\n real :: sarray(size(data)), rarray(size(data))\n\n if ((sourcepe .ge. 0) .and. (destpe .ge. 0) .and.\n & (sourcepe .ne. destpe)) then\n\nC -- send data to corresponding processor \n\n li = lbound(data,1)\n ui = ubound(data,1)\n lj = lbound(data,2)\n uj = ubound(data,2)\n lk = lbound(data,3)\n uk = ubound(data,3)\n\n if (se_myworker_pe .eq. sourcepe) then\n\n if (sdim .eq. 1) then\n li = from\n ui = from\n else if (sdim .eq. 2) then\n lj = from\n uj = from\n else\n lk = from\n uk = from\n end if\n\n scount = 0\nC -- pack data for sending\n do k = lk, uk\n do j = lj, uj\n do i = li, ui\n scount = scount + 1\n sarray(scount) = data(i,j,k)\n end do\n end do\n end do\n\n call mpi_send (sarray, scount, mpi_real, destpe,\n & sourcepe, se_worker_comm, error)\n\n else if (se_myworker_pe .eq. destpe) then\n\n if (sdim .eq. 1) then\n li = to\n ui = to\n else if (sdim .eq. 2) then\n lj = to\n uj = to\n else\n lk = to\n uk = to\n end if\n\nC -- receive data from corresponding processor\n\n rcount = (ui - li + 1) * (uj - lj + 1) * (uk - lk + 1)\n\n call mpi_recv (rarray, rcount, mpi_real, sourcepe,\n & sourcepe, se_worker_comm, status, error)\n\nC -- unpack received data\n rcount = 0\n do k = lk, uk\n do j = lj, uj\n do i = li, ui\n rcount = rcount + 1\n data(i,j,k) = rarray(rcount) \n end do\n end do\n end do\n\n end if\n end if\n\n return\n end subroutine se_slice3r\n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC transfer a slice of a 4-D integer array\nC\nC Revision history:\nC\nC Orginal version: 5/26/99 by David Wong \nC 11/05/99 by David Wong\nC -- recode the code using F90 syntax\nC 12/16/00 by Jeff Young\nC -- mod for integer data\nC 12/04/02 by David Wong\nC -- modified the routine to accommodate worker and\nC I/O processors partition scheme\nC\nC Subroutine parameter description:\nC\nC In: data -- original data\nC sourcepe -- source PE\nC destpe -- target PE\nC sdim -- slicing dimension\nC from -- index of the slicing source\nC to -- index of the slicing destination\nC\nC Out: data -- original data after communication\nC\nC Local variable description:\nC\nC i, j, k, l -- loop indexes\nC li, ui -- local low and upper index of i dimension\nC lj, uj -- local low and upper index of j dimension\nC lk, uk -- local low and upper index of k dimension\nC ll, ul -- local low and upper index of l dimension\nC status -- return status of MPI_RECEIVING call\nC error -- error code of invoking MPI calls\nC scount -- number of items need to be sent\nC rcount -- number of items are expected to receive\nC sarray -- array to hold sending data\nC rarray -- array to hold receiving data\nC\nC Include file:\nC\nC se_pe_info.ext\nC\nC Subroutine/Function call:\nC\nC mpi_send\nC mpi_recv\nC\nC --------------------------------------------------------------------------\n\n subroutine se_slice4i (data, sourcepe, destpe, sdim, from, to)\n\n use se_pe_info_ext\n\n implicit none\n\n include \"mpif.h\"\n \n integer, intent(inout) :: data(:,:,:,:)\n integer, intent(in) :: sourcepe, destpe, sdim, from, to\n\n integer :: error\n integer :: i, j, k, l, li, lj, lk, ll, ui, uj, uk, ul\n integer :: status(MPI_STATUS_SIZE)\n integer :: scount, rcount\n integer :: sarray(size(data)), rarray(size(data))\n\n if ((sourcepe .ge. 0) .and. (destpe .ge. 0) .and.\n & (sourcepe .ne. destpe)) then\n\nC -- send data to corresponding processor \n\n li = lbound(data,1)\n ui = ubound(data,1)\n lj = lbound(data,2)\n uj = ubound(data,2)\n lk = lbound(data,3)\n uk = ubound(data,3)\n ll = lbound(data,4)\n ul = ubound(data,4)\n\n if (se_myworker_pe .eq. sourcepe) then\n\n if (sdim .eq. 1) then\n li = from\n ui = from\n else if (sdim .eq. 2) then\n lj = from\n uj = from\n else if (sdim .eq. 3) then\n lk = from\n uk = from\n else\n ll = from\n ul = from\n end if\n\n scount = 0\nC -- pack data for sending\n do l = ll, ul\n do k = lk, uk\n do j = lj, uj\n do i = li, ui\n scount = scount + 1\n sarray(scount) = data(i,j,k,l)\n end do\n end do\n end do\n end do\n\n call mpi_send (sarray, scount, mpi_integer, destpe,\n & sourcepe, se_worker_comm, error)\n\n else if (se_myworker_pe .eq. destpe) then\n\n if (sdim .eq. 1) then\n li = to\n ui = to\n else if (sdim .eq. 2) then\n lj = to\n uj = to\n else if (sdim .eq. 3) then\n lk = to\n uk = to\n else\n ll = to\n ul = to\n end if\n\nC -- receive data from corresponding processor\n\n rcount = (ui - li + 1) * (uj - lj + 1)\n & * (uk - lk + 1) * (ul - ll + 1) \n\n call mpi_recv (rarray, rcount, mpi_integer, sourcepe,\n & sourcepe, se_worker_comm, status, error)\n\nC -- unpack received data\n rcount = 0\n do l = ll, ul\n do k = lk, uk\n do j = lj, uj\n do i = li, ui\n rcount = rcount + 1\n data(i,j,k,l) = rarray(rcount) \n end do\n end do\n end do\n end do\n\n end if\n end if\n\n return\n end subroutine se_slice4i\n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC to perform transferring a slice of a 4-D real data \nC\nC Revision history:\nC\nC Orginal version: 5/26/99 by David Wong \nC 11/05/99 by David Wong\nC -- recode the code using F90 syntax\nC 12/04/02 by David Wong\nC -- modified the routine to accommodate worker and\nC I/O processors partition scheme\nC\nC Subroutine parameter description:\nC\nC In: data -- original data\nC sourcepe -- source PE\nC destpe -- target PE\nC sdim -- slicing dimension\nC from -- index of the slicing source\nC to -- index of the slicing destination\nC\nC Out: data -- original data after communication\nC\nC Local variable description:\nC\nC i, j, k, l -- loop indexes\nC li, ui -- local low and upper index of i dimension\nC lj, uj -- local low and upper index of j dimension\nC lk, uk -- local low and upper index of k dimension\nC ll, ul -- local low and upper index of l dimension\nC status -- return status of MPI_RECEIVING call\nC error -- error code of invoking MPI calls\nC scount -- number of items need to be sent\nC rcount -- number of items are expected to receive\nC sarray -- array to hold sending data\nC rarray -- array to hold receiving data\nC\nC Include file:\nC\nC se_pe_info.ext\nC\nC Subroutine/Function call:\nC\nC mpi_send\nC mpi_recv\nC\nC --------------------------------------------------------------------------\n\n subroutine se_slice4r (data, sourcepe, destpe, sdim, from, to)\n\n use se_pe_info_ext\n\n implicit none\n\n include \"mpif.h\"\n \n real, intent(inout) :: data(:,:,:,:)\n integer, intent(in) :: sourcepe, destpe, sdim, from, to\n\n integer :: error\n integer :: i, j, k, l, li, lj, lk, ll, ui, uj, uk, ul\n integer :: status(MPI_STATUS_SIZE)\n integer :: scount, rcount\n real :: sarray(size(data)), rarray(size(data))\n\n if ((sourcepe .ge. 0) .and. (destpe .ge. 0) .and.\n & (sourcepe .ne. destpe)) then\n\nC -- send data to corresponding processor \n\n li = lbound(data,1)\n ui = ubound(data,1)\n lj = lbound(data,2)\n uj = ubound(data,2)\n lk = lbound(data,3)\n uk = ubound(data,3)\n ll = lbound(data,4)\n ul = ubound(data,4)\n\n if (se_myworker_pe .eq. sourcepe) then\n\n if (sdim .eq. 1) then\n li = from\n ui = from\n else if (sdim .eq. 2) then\n lj = from\n uj = from\n else if (sdim .eq. 3) then\n lk = from\n uk = from\n else\n ll = from\n ul = from\n end if\n\n scount = 0\nC -- pack data for sending\n do l = ll, ul\n do k = lk, uk\n do j = lj, uj\n do i = li, ui\n scount = scount + 1\n sarray(scount) = data(i,j,k,l)\n end do\n end do\n end do\n end do\n\n call mpi_send (sarray, scount, mpi_real, destpe,\n & sourcepe, se_worker_comm, error)\n\n else if (se_myworker_pe .eq. destpe) then\n\n if (sdim .eq. 1) then\n li = to\n ui = to\n else if (sdim .eq. 2) then\n lj = to\n uj = to\n else if (sdim .eq. 3) then\n lk = to\n uk = to\n else\n ll = to\n ul = to\n end if\n\nC -- receive data from corresponding processor\n\n rcount = (ui - li + 1) * (uj - lj + 1)\n & * (uk - lk + 1) * (ul - ll + 1) \n\n call mpi_recv (rarray, rcount, mpi_real, sourcepe,\n & sourcepe, se_worker_comm, status, error)\n\nC -- unpack received data\n rcount = 0\n do l = ll, ul\n do k = lk, uk\n do j = lj, uj\n do i = li, ui\n rcount = rcount + 1\n data(i,j,k,l) = rarray(rcount) \n end do\n end do\n end do\n end do\n\n end if\n end if\n\n return\n end subroutine se_slice4r\n\n end module se_slice_module\n" }, { "path": "CCTM/src/STENEX/se/se_subgrid_info_ext.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/work/rep/STENEX/src/se_snl/se_subgrid_info_ext.f,v 1.1 2004/03/26 16:16:47 yoj Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC --------------------------------------------------------------------------\nC Note: -- all these variables with prefix se_ are for stencil exchange library \nC only\nC\nC to define sub-grid common variables:\nC\nC se_my_subgrid_beglev -- beginning level number of sub-grid\nC se_my_subgrid_endlev -- ending level number of sub-grid\nC se_subgrid_ind -- same as se_gl_ind but on fine sub grid\nC se_subgrid_send -- holding processor number info where data is sending \nC to\nC se_subgrid_recv -- holding processor number info where data is receiving \nC from\nC se_subgrid_send_ind -- holding row (first two entries) and column (second \nC two entries) dimensions of data for sending\nC se_subgrid_recv_ind -- holding row (first two entries) and column (second \nC two entries) dimensions of data for receiving\nC --------------------------------------------------------------------------\n\n module se_subgrid_info_ext\n\n integer :: se_my_subgrid_beglev\n integer :: se_my_subgrid_endlev\n\n integer, allocatable, save, target :: se_subgrid_ind (:, :, :)\n integer, pointer :: se_subgrid_ind_ptr (:, :, :)\n\n integer, allocatable, save, target :: se_subgrid_send_ind (:, :, :)\n integer, allocatable, save, target :: se_subgrid_recv_ind (:, :, :)\n integer, pointer :: se_subgrid_send_ind_ptr (:, :, :)\n integer, pointer :: se_subgrid_recv_ind_ptr (:, :, :)\n\n integer, allocatable, save, target :: se_subgrid_send(:)\n integer, allocatable, save, target :: se_subgrid_recv(:)\n integer, pointer :: se_subgrid_send_ptr(:)\n integer, pointer :: se_subgrid_recv_ptr(:)\n\n end module se_subgrid_info_ext\n" }, { "path": "CCTM/src/STENEX/se/se_term_module.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/work/rep/STENEX/src/se_snl/se_term_module.f,v 1.2 2006/02/15 14:45:31 yoj Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC to terminate stenex library\nC\nC Revision history:\nC\nC Orginal version: 11/30/00 by David Wong\nC\nC 12/04/02 by David Wong\nC -- made the routine more robust by checking \nC allocation first before any deallocate call\nC --------------------------------------------------------------------------\n\n module se_term_module\n\n implicit none\n\n contains\n\n subroutine se_term \n\n use se_pe_info_ext\n use se_domain_info_ext\n use se_reconfig_grid_info_ext\n use se_subgrid_info_ext\n\n implicit none\n\n if (allocated(ranks)) then\n deallocate(ranks)\n end if\n\n if (allocated(se_gl_ind)) then\n deallocate (se_gl_ind)\n end if\n\n if (allocated(se_reconfig_grid_send_ind)) then\n deallocate (se_reconfig_grid_send_ind)\n deallocate (se_reconfig_grid_recv_ind)\n end if\n\n if (allocated(se_subgrid_send_ind)) then\n deallocate (se_subgrid_send_ind)\n deallocate (se_subgrid_recv_ind)\n deallocate (se_subgrid_send)\n deallocate (se_subgrid_recv)\n deallocate (se_subgrid_ind)\n end if\n\n return\n end subroutine se_term \n\n end module se_term_module\n" }, { "path": "CCTM/src/STENEX/se/se_twoway_comm_module.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n! RCS file, release, date & time of last delta, author, state, [and locker]\n! $Header: /home/wdx/lib/src/junk/junk/CMAQv5.0.1/models/STENEX/src/se_snl/se_twoway_comm_module.f,v 1.1.1.1 2012/04/19 19:48:15 sjr Exp $\n\n! what(1) key, module and SID; SCCS file; date and time of last delta:\n! %W% %P% %G% %U%\n\n!-----------------------------------------------------------------------\n! Purpose:\n! implement data exchange between WRF and CMAQ to accommodate different\n! domain sizes and domain decomposition strategies\n\n! Revision history:\n! Orginal version: 4/10/07 by David Wong\n! Modified: 5/21/12 by David Wong\n! -- used a more strict hand-shake paradiagm for communication\n! Modified: 9/30/15 by David Wong\n! -- reduced the value of tag to accommodate various MPI \n! implementation\n!-----------------------------------------------------------------------\n\n module se_twoway_comm_module\n\n use se_comm_info_ext\n\n implicit none\n\n integer, private :: wrf_cmaq_loc_ngb(0:8) = -1\n integer, private :: wrf_cmaq_loc_ngb_send_to(0:8, 2) = -1\n integer, private :: wrf_cmaq_loc_ngb_recv_from(0:8, 2) = -1\n logical, private :: wrf_cmaq_computed = .false.\n\n integer, private :: cmaq_wrf_loc_ngb(0:8) = -1\n integer, private :: cmaq_wrf_loc_ngb_send_to(0:8, 2) = -1\n integer, private :: cmaq_wrf_loc_ngb_recv_from(0:8, 2) = -1\n logical, private :: cmaq_wrf_computed = .false.\n\n interface se_wrf_cmaq_comm\n module procedure se_wrf_cmaq_comm2, se_wrf_cmaq_comm3, se_wrf_cmaq_comm4\n end interface\n\n interface se_cmaq_wrf_comm\n module procedure se_cmaq_wrf_comm2, se_cmaq_wrf_comm3, se_cmaq_wrf_comm4\n end interface\n\n contains\n\n! -----------------------------------------------------------------------------\n\n subroutine se_wrf_cmaq_comm2 (mype, wrf_data, cmaq_data, \n & wrf_cmaq_send_to, wrf_cmaq_recv_from,\n & wrf_cmaq_send_index_l, wrf_cmaq_recv_index_l, \n & flag)\n\n implicit none\n\n integer, intent(in) :: mype\n real, intent(in) :: wrf_data(:,:)\n real, intent(out) :: cmaq_data(:,:)\n integer, pointer :: wrf_cmaq_send_to(:,:), wrf_cmaq_recv_from(:,:)\n integer, pointer :: wrf_cmaq_send_index_l(:,:,:), wrf_cmaq_recv_index_l(:,:,:)\n integer, intent(in) :: flag\n\n include \"mpif.h\"\n\n integer :: c, r, lc, lr, i, j, k, index, sdir, rdir, \n $ request, status(MPI_STATUS_SIZE), error\n integer :: data_size, tag, li, lj, s_ind, r_ind\n real,allocatable :: sarray(:), rarray(:)\n logical :: found\n\n call compute_ngb (mype, wrf_cmaq_loc_ngb, se_twoway_npcol,\n $ se_twoway_nprow)\n\n do k = 0, 8\n\n call loc_index (wrf_cmaq_loc_ngb(k), wrf_cmaq_send_to(:,mype), \n $ wrf_cmaq_loc_ngb_send_to(k,1),\n $ wrf_cmaq_loc_ngb_send_to(k,2))\n call loc_index (wrf_cmaq_loc_ngb(8-k), wrf_cmaq_recv_from(:,mype), \n $ wrf_cmaq_loc_ngb_recv_from(8-k,1),\n $ wrf_cmaq_loc_ngb_recv_from(8-k,2))\n end do\n\n do k = 0, 8\n\n sdir = wrf_cmaq_loc_ngb_send_to(k,1)\n rdir = wrf_cmaq_loc_ngb_recv_from(8-k,1)\n\n if (sdir > -1) then\n s_ind = wrf_cmaq_loc_ngb_send_to(k,2)\n j = (s_ind - 1) * 3 + 1\n\n if (mype .eq. sdir) then\n\n found = .false.\n li = 0\n do while (.not. found)\n li = li + 1\n if (mype .eq. wrf_cmaq_recv_from(li, mype)) then\n found = .true.\n lj = (li - 1) * 3 + 1\n end if\n end do\n\n lr = wrf_cmaq_recv_index_l(lj,2,mype) - 1\n do r = wrf_cmaq_send_index_l(j,2,mype), wrf_cmaq_send_index_l(j+1,2,mype)\n lr = lr + 1\n lc = wrf_cmaq_recv_index_l(lj,1,mype) - 1\n do c = wrf_cmaq_send_index_l(j,1,mype), wrf_cmaq_send_index_l(j+1,1,mype)\n lc = lc + 1\n cmaq_data(lc,lr) = wrf_data(c,r)\n end do\n end do\n else\n data_size = wrf_cmaq_send_index_l(j+2,1,mype) * wrf_cmaq_send_index_l(j+2,2,mype)\n\n allocate (sarray(data_size), stat=error)\n index = 0\n do r = wrf_cmaq_send_index_l(j,2,mype), wrf_cmaq_send_index_l(j+1,2,mype)\n do c = wrf_cmaq_send_index_l(j,1,mype), wrf_cmaq_send_index_l(j+1,1,mype)\n index = index + 1\n sarray(index) = wrf_data(c,r)\n end do\n end do\n! tag = flag * 1000000 + mype * 1000 + sdir\n tag = flag * 1000 + sdir\n\n call mpi_send (sarray, data_size, mpi_real, sdir,\n & tag, mpi_comm_world, error)\n\n deallocate (sarray)\n\n end if\n end if\n\n if (rdir > -1) then\n\n if (mype .ne. rdir) then\n\n r_ind = wrf_cmaq_loc_ngb_recv_from(8-k,2)\n j = (r_ind - 1) * 3 + 1\n\n data_size = wrf_cmaq_recv_index_l(j+2,1,mype) * wrf_cmaq_recv_index_l(j+2,2,mype)\n\n allocate (rarray(data_size), stat=error)\n! tag = flag * 1000000 + rdir * 1000 + mype\n tag = flag * 1000 + mype\n\n call mpi_recv (rarray, data_size, mpi_real, rdir, tag,\n $ mpi_comm_world, status, error)\n\n index = 0\n do r = wrf_cmaq_recv_index_l(j,2,mype), wrf_cmaq_recv_index_l(j+1,2,mype)\n do c = wrf_cmaq_recv_index_l(j,1,mype), wrf_cmaq_recv_index_l(j+1,1,mype)\n index = index + 1\n cmaq_data(c,r) = rarray(index)\n end do\n end do\n deallocate (rarray)\n end if\n end if\n\n end do\n\n return\n end subroutine se_wrf_cmaq_comm2\n\n! -----------------------------------------------------------------------------\n\n subroutine se_wrf_cmaq_comm3 (mype, wrf_data, cmaq_data, \n & wrf_cmaq_send_to, wrf_cmaq_recv_from,\n & wrf_cmaq_send_index_l, wrf_cmaq_recv_index_l, \n & flag)\n\n implicit none\n\n integer, intent(in) :: mype\n real, intent(in) :: wrf_data(:,:,:)\n real, intent(out) :: cmaq_data(:,:,:)\n integer, pointer :: wrf_cmaq_send_to(:,:), wrf_cmaq_recv_from(:,:)\n! integer, intent(in) :: wrf_cmaq_send_to(:,:), wrf_cmaq_recv_from(:,:)\n integer, pointer :: wrf_cmaq_send_index_l(:,:,:), wrf_cmaq_recv_index_l(:,:,:)\n integer, intent(in) :: flag\n\n include \"mpif.h\"\n\n integer :: c, r, lc, lr, d, i, j, k, index, sdir, rdir, \n $ request, status(MPI_STATUS_SIZE), error\n integer :: data_size, size_3d, tag, li, lj, s_ind, r_ind\n real,allocatable :: sarray(:), rarray(:)\n! real :: sarray(size(wrf_data)) ! the second dimension is needed to keep the send\n ! data since all the send instructions are done\n ! before any receive instruction\n! real :: rarray(size(cmaq_data))\n logical :: found\n\n integer :: total_s, total_r, n_s, n_r\n integer :: total_ss, total_rr, n_ss, n_rr\n\n! if (.not. wrf_cmaq_computed) then\n call compute_ngb (mype, wrf_cmaq_loc_ngb, se_twoway_npcol, \n $ se_twoway_nprow)\n\n! write (6, '(a13, 9i5)') ' ==dw3 ngb a ', wrf_cmaq_loc_ngb\n\n! write (6, '(a15, 20i5)') ' ==dw3 send to ', \n! $ wrf_cmaq_send_to(0:wrf_cmaq_send_to(0,mype), mype)\n\n! write (6, '(a15, 20i5)') ' ==dw3 recv fr ', \n! $ wrf_cmaq_recv_from(0:wrf_cmaq_recv_from(0,mype), mype)\n\n wrf_cmaq_computed = .true.\n do k = 0, 8\n\n call loc_index (wrf_cmaq_loc_ngb(k), wrf_cmaq_send_to(:,mype), \n $ wrf_cmaq_loc_ngb_send_to(k,1), \n $ wrf_cmaq_loc_ngb_send_to(k,2)) \n call loc_index (wrf_cmaq_loc_ngb(8-k), wrf_cmaq_recv_from(:,mype), \n $ wrf_cmaq_loc_ngb_recv_from(8-k,1), \n $ wrf_cmaq_loc_ngb_recv_from(8-k,2)) \n end do\n\n! do k = 0, 8\n! write (6, '(a13, 9i5)') ' ==dw3 ngb b ', k, wrf_cmaq_loc_ngb_send_to(k,:)\n! end do\n! do k = 0, 8\n! write (6, '(a13, 9i5)') ' ==dw3 ngb c ', k, wrf_cmaq_loc_ngb_recv_from(k,:)\n! end do\n\n! end if\n\n size_3d = size(wrf_data, 3)\n\n total_s = 0\n total_r = 0\n n_s = 0\n n_r = 0\n do k = 0, 8\n! call loc_index (loc_ngb(k), wrf_cmaq_send_to(:,mype), sdir, s_ind)\n! call loc_index (loc_ngb(8-k), wrf_cmaq_recv_from(:,mype), rdir, r_ind)\n\n sdir = wrf_cmaq_loc_ngb_send_to(k,1) \n rdir = wrf_cmaq_loc_ngb_recv_from(8-k,1) \n \n! write (6, '(a7, 30i5)') ' ==d== ', k, mype, loc_ngb(k), wrf_cmaq_send_to(:,mype), sdir, s_ind\n! write (6, '(a7, 30i5)') ' ==d== ', k, mype, loc_ngb(8-k), wrf_cmaq_recv_from(:,mype), rdir, r_ind\n\n! goto 999\n\n if (sdir > -1) then\n total_s = total_s + 1 \n s_ind = wrf_cmaq_loc_ngb_send_to(k,2)\n j = (s_ind - 1) * 3 + 1\n\n if (mype .eq. sdir) then\n\n found = .false.\n li = 0\n do while (.not. found)\n li = li + 1\n if (mype .eq. wrf_cmaq_recv_from(li, mype)) then\n found = .true.\n lj = (li - 1) * 3 + 1\n end if\n end do\n\n lr = wrf_cmaq_recv_index_l(lj,2,mype) - 1\n do r = wrf_cmaq_send_index_l(j,2,mype), wrf_cmaq_send_index_l(j+1,2,mype)\n lr = lr + 1\n lc = wrf_cmaq_recv_index_l(lj,1,mype) - 1\n do c = wrf_cmaq_send_index_l(j,1,mype), wrf_cmaq_send_index_l(j+1,1,mype)\n lc = lc + 1\n cmaq_data(lc,lr,:) = wrf_data(c,r,:)\n end do\n end do\n else\n data_size = size_3d * wrf_cmaq_send_index_l(j+2,1,mype) * wrf_cmaq_send_index_l(j+2,2,mype)\n\n allocate (sarray(data_size), stat=error)\n index = 0\n do d = 1, size_3d\n do r = wrf_cmaq_send_index_l(j,2,mype), wrf_cmaq_send_index_l(j+1,2,mype)\n do c = wrf_cmaq_send_index_l(j,1,mype), wrf_cmaq_send_index_l(j+1,1,mype)\n index = index + 1\n sarray(index) = wrf_data(c,r,d)\n end do\n end do\n end do\n! tag = flag * 1000000 + mype * 1000 + sdir\n tag = flag * 1000 + sdir\n\n! write (6, '(a12, 2i5, 8i10)') ' ==dw3 send ', j, sdir, tag, data_size, \n! $ size_3d, wrf_cmaq_send_index_l(j+2,1,mype),\n! $ wrf_cmaq_send_index_l(j+2,2,mype), size(sarray)\n\n call mpi_send (sarray, data_size, mpi_real, sdir,\n & tag, mpi_comm_world, error)\n\n! n_s = n_s + 1 \n! call mpi_send (mype, 1, mpi_integer, sdir,\n! & tag, mpi_comm_world, error)\n deallocate (sarray)\n\n end if\n end if\n\n if (rdir > -1) then\n\n total_r = total_r + 1 \n if (mype .ne. rdir) then\n\n r_ind = wrf_cmaq_loc_ngb_recv_from(8-k,2)\n j = (r_ind - 1) * 3 + 1\n\n data_size = size_3d * wrf_cmaq_recv_index_l(j+2,1,mype) * wrf_cmaq_recv_index_l(j+2,2,mype)\n\n allocate (rarray(data_size), stat=error)\n! tag = flag * 1000000 + rdir * 1000 + mype\n tag = flag * 1000 + mype\n\n call mpi_recv (rarray, data_size, mpi_real, rdir, tag, \n $ mpi_comm_world, status, error)\n\n! n_r = n_r + 1 \n! call mpi_recv (request, 1, mpi_integer, rdir, tag, mpi_comm_world, status, error)\n\n! write (6, '(a12, 2i5, 10i8)') ' ==dw3 recv ', j, rdir, tag,\n! $ data_size, size_3d, wrf_cmaq_recv_index_l(j+2,1,mype), \n! $ wrf_cmaq_recv_index_l(j+2,2,mype), size(rarray)\n\n index = 0\n do d = 1, size_3d\n do r = wrf_cmaq_recv_index_l(j,2,mype), wrf_cmaq_recv_index_l(j+1,2,mype)\n do c = wrf_cmaq_recv_index_l(j,1,mype), wrf_cmaq_recv_index_l(j+1,1,mype)\n index = index + 1\n cmaq_data(c,r,d) = rarray(index)\n end do\n end do\n end do\n deallocate (rarray)\n end if\n end if\n 999 continue\n\n end do\n\n end subroutine se_wrf_cmaq_comm3\n\n! -----------------------------------------------------------------------------\n\n subroutine se_wrf_cmaq_comm4 (mype, wrf_data, cmaq_data, \n & wrf_cmaq_send_to, wrf_cmaq_recv_from,\n & wrf_cmaq_send_index_l, wrf_cmaq_recv_index_l, \n & flag)\n\n implicit none\n\n integer, intent(in) :: mype\n real, intent(in) :: wrf_data(:,:,:,:)\n real, intent(out) :: cmaq_data(:,:,:,:)\n integer, pointer :: wrf_cmaq_send_to(:,:), wrf_cmaq_recv_from(:,:)\n integer, pointer :: wrf_cmaq_send_index_l(:,:,:), wrf_cmaq_recv_index_l(:,:,:)\n integer, intent(in) :: flag\n\n include \"mpif.h\"\n\n integer :: sdir, rdir, size_l_v, nlays, nvars, si, ri\n logical :: done\n integer :: c, r, l, v, i, j, k, data_size, tag, li, lj, s_ind, \n $ r_ind, index, lr, lc,\n $ request, status(MPI_STATUS_SIZE), error\n real,allocatable :: sarray(:), rarray(:)\n logical :: found\n\n call compute_ngb (mype, wrf_cmaq_loc_ngb, se_twoway_npcol,\n $ se_twoway_nprow)\n\n do k = 0, 8\n\n call loc_index (wrf_cmaq_loc_ngb(k), wrf_cmaq_send_to(:,mype), \n $ wrf_cmaq_loc_ngb_send_to(k,1),\n $ wrf_cmaq_loc_ngb_send_to(k,2))\n call loc_index (wrf_cmaq_loc_ngb(8-k), wrf_cmaq_recv_from(:,mype), \n $ wrf_cmaq_loc_ngb_recv_from(8-k,1),\n $ wrf_cmaq_loc_ngb_recv_from(8-k,2))\n end do\n\n nlays = size(wrf_data, 3)\n nvars = size(wrf_data, 4)\n size_l_v = nlays * nvars\n\n do k = 0, 8\n\n sdir = wrf_cmaq_loc_ngb_send_to(k,1)\n rdir = wrf_cmaq_loc_ngb_recv_from(8-k,1)\n\n if (sdir > -1) then\n s_ind = wrf_cmaq_loc_ngb_send_to(k,2)\n j = (s_ind - 1) * 3 + 1\n\n if (mype .eq. sdir) then\n\n found = .false.\n li = 0\n do while (.not. found)\n li = li + 1\n if (mype .eq. wrf_cmaq_recv_from(li, mype)) then\n found = .true.\n lj = (li - 1) * 3 + 1\n end if\n end do\n\n lr = wrf_cmaq_recv_index_l(lj,2,mype) - 1\n do r = wrf_cmaq_send_index_l(j,2,mype), wrf_cmaq_send_index_l(j+1,2,mype)\n lr = lr + 1\n lc = wrf_cmaq_recv_index_l(lj,1,mype) - 1\n do c = wrf_cmaq_send_index_l(j,1,mype), wrf_cmaq_send_index_l(j+1,1,mype)\n lc = lc + 1\n cmaq_data(lc,lr,:,:) = wrf_data(c,r,:,:)\n end do\n end do\n else\n data_size = size_l_v * wrf_cmaq_send_index_l(j+2,1,mype) * wrf_cmaq_send_index_l(j+2,2,mype)\n\n allocate (sarray(data_size), stat=error)\n index = 0\n do v = 1, nvars\n do l = 1, nlays\n do r = wrf_cmaq_send_index_l(j,2,mype), wrf_cmaq_send_index_l(j+1,2,mype)\n do c = wrf_cmaq_send_index_l(j,1,mype), wrf_cmaq_send_index_l(j+1,1,mype)\n index = index + 1\n sarray(index) = wrf_data(c,r,l,v)\n end do\n end do\n end do\n end do\n! tag = flag * 1000000 + mype * 1000 + sdir\n tag = flag * 1000 + sdir\n\n call mpi_send (sarray, data_size, mpi_real, sdir,\n & tag, mpi_comm_world, error)\n\n deallocate (sarray)\n\n end if\n end if\n\n if (rdir > -1) then\n\n if (mype .ne. rdir) then\n\n r_ind = wrf_cmaq_loc_ngb_recv_from(8-k,2)\n j = (r_ind - 1) * 3 + 1\n\n data_size = size_l_v * wrf_cmaq_recv_index_l(j+2,1,mype) * wrf_cmaq_recv_index_l(j+2,2,mype)\n\n allocate (rarray(data_size), stat=error)\n! tag = flag * 1000000 + rdir * 1000 + mype\n tag = flag * 1000 + mype\n\n call mpi_recv (rarray, data_size, mpi_real, rdir, tag,\n $ mpi_comm_world, status, error)\n\n index = 0\n do v = 1, nvars\n do l = 1, nlays\n do r = wrf_cmaq_recv_index_l(j,2,mype), wrf_cmaq_recv_index_l(j+1,2,mype)\n do c = wrf_cmaq_recv_index_l(j,1,mype), wrf_cmaq_recv_index_l(j+1,1,mype)\n index = index + 1\n cmaq_data(c,r,l,v) = rarray(index)\n end do\n end do\n end do\n end do\n deallocate (rarray)\n end if\n end if\n\n end do\n\n return\n end subroutine se_wrf_cmaq_comm4\n\n! -----------------------------------------------------------------------------\n\n subroutine se_cmaq_wrf_comm2 (mype, cmaq_data, wrf_data,\n & cmaq_wrf_send_to, cmaq_wrf_recv_from,\n & cmaq_wrf_send_index_l, cmaq_wrf_recv_index_l, \n & flag)\n\n implicit none\n\n integer, intent(in) :: mype\n real, intent(in) :: cmaq_data(:,:)\n real, intent(out) :: wrf_data(:,:)\n integer, pointer :: cmaq_wrf_send_to(:,:), cmaq_wrf_recv_from(:,:)\n integer, pointer :: cmaq_wrf_send_index_l(:,:,:), cmaq_wrf_recv_index_l(:,:,:)\n integer, intent(in) :: flag\n\n include \"mpif.h\"\n\n integer :: c, r, lc, lr, i, j, k, index, sdir, rdir, \n $ request, status(MPI_STATUS_SIZE), error\n integer :: data_size, tag, li, lj, s_ind, r_ind\n real,allocatable :: sarray(:), rarray(:)\n logical :: found\n\n call compute_ngb (mype, cmaq_wrf_loc_ngb, se_twoway_npcol,\n $ se_twoway_nprow)\n\n do k = 0, 8\n\n call loc_index (cmaq_wrf_loc_ngb(k), cmaq_wrf_send_to(:,mype), \n $ cmaq_wrf_loc_ngb_send_to(k,1),\n $ cmaq_wrf_loc_ngb_send_to(k,2))\n call loc_index (cmaq_wrf_loc_ngb(8-k), cmaq_wrf_recv_from(:,mype), \n $ cmaq_wrf_loc_ngb_recv_from(8-k,1),\n $ cmaq_wrf_loc_ngb_recv_from(8-k,2))\n end do\n\n do k = 0, 8\n\n sdir = cmaq_wrf_loc_ngb_send_to(k,1)\n rdir = cmaq_wrf_loc_ngb_recv_from(8-k,1)\n\n if (sdir > -1) then\n s_ind = cmaq_wrf_loc_ngb_send_to(k,2)\n j = (s_ind - 1) * 3 + 1\n\n if (mype .eq. sdir) then\n\n found = .false.\n li = 0\n do while (.not. found)\n li = li + 1\n if (mype .eq. cmaq_wrf_recv_from(li, mype)) then\n found = .true.\n lj = (li - 1) * 3 + 1\n end if\n end do\n\n lr = cmaq_wrf_recv_index_l(lj,2,mype) - 1\n do r = cmaq_wrf_send_index_l(j,2,mype), cmaq_wrf_send_index_l(j+1,2,mype)\n lr = lr + 1\n lc = cmaq_wrf_recv_index_l(lj,1,mype) - 1\n do c = cmaq_wrf_send_index_l(j,1,mype), cmaq_wrf_send_index_l(j+1,1,mype)\n lc = lc + 1\n wrf_data(lc,lr) = cmaq_data(c,r)\n end do\n end do\n else\n data_size = cmaq_wrf_send_index_l(j+2,1,mype) * cmaq_wrf_send_index_l(j+2,2,mype)\n\n allocate (sarray(data_size), stat=error)\n index = 0\n do r = cmaq_wrf_send_index_l(j,2,mype), cmaq_wrf_send_index_l(j+1,2,mype)\n do c = cmaq_wrf_send_index_l(j,1,mype), cmaq_wrf_send_index_l(j+1,1,mype)\n index = index + 1\n sarray(index) = cmaq_data(c,r)\n end do\n end do\n! tag = flag * 1000000 + mype * 1000 + sdir\n tag = flag * 1000 + sdir\n\n call mpi_send (sarray, data_size, mpi_real, sdir,\n & tag, mpi_comm_world, error)\n\n deallocate (sarray)\n\n end if\n end if\n\n if (rdir > -1) then\n\n if (mype .ne. rdir) then\n\n r_ind = cmaq_wrf_loc_ngb_recv_from(8-k,2)\n j = (r_ind - 1) * 3 + 1\n\n data_size = cmaq_wrf_recv_index_l(j+2,1,mype) * cmaq_wrf_recv_index_l(j+2,2,mype)\n\n allocate (rarray(data_size), stat=error)\n! tag = flag * 1000000 + rdir * 1000 + mype\n tag = flag * 1000 + mype\n\n call mpi_recv (rarray, data_size, mpi_real, rdir, tag,\n $ mpi_comm_world, status, error)\n\n index = 0\n do r = cmaq_wrf_recv_index_l(j,2,mype), cmaq_wrf_recv_index_l(j+1,2,mype)\n do c = cmaq_wrf_recv_index_l(j,1,mype), cmaq_wrf_recv_index_l(j+1,1,mype)\n index = index + 1\n wrf_data(c,r) = rarray(index)\n end do\n end do\n deallocate (rarray)\n end if\n end if\n\n end do\n\n return\n end subroutine se_cmaq_wrf_comm2\n\n! -----------------------------------------------------------------------------\n\n subroutine se_cmaq_wrf_comm3 (mype, cmaq_data, wrf_data,\n & cmaq_wrf_send_to, cmaq_wrf_recv_from,\n & cmaq_wrf_send_index_l, cmaq_wrf_recv_index_l, \n & flag)\n\n implicit none\n\n integer, intent(in) :: mype\n real, intent(in) :: cmaq_data(:,:,:)\n real, intent(out) :: wrf_data(:,:,:)\n integer, pointer :: cmaq_wrf_send_to(:,:), cmaq_wrf_recv_from(:,:)\n integer, pointer :: cmaq_wrf_send_index_l(:,:,:), cmaq_wrf_recv_index_l(:,:,:)\n integer, intent(in) :: flag\n\n include \"mpif.h\"\n\n integer :: c, r, lc, lr, d, i, j, k, index, sdir, rdir, \n $ request, status(MPI_STATUS_SIZE), error\n integer :: data_size, size_3d, tag, li, lj, s_ind, r_ind\n real,allocatable :: sarray(:), rarray(:)\n logical :: found\n\n integer :: total_s, total_r, n_s, n_r\n integer :: total_ss, total_rr, n_ss, n_rr\n\n! if (.not. cmaq_wrf_computed) then\n call compute_ngb (mype, cmaq_wrf_loc_ngb, se_twoway_npcol, \n $ se_twoway_nprow)\n\n! write (6, '(a13, 9i5)') ' ==dc3 ngb a ', cmaq_wrf_loc_ngb\n\n! write (6, '(a15, 20i5)') ' ==dc3 send to ', \n! $ cmaq_wrf_send_to(0:cmaq_wrf_send_to(0,mype), mype)\n\n! write (6, '(a15, 20i5)') ' ==dc3 recv fr ', \n! $ cmaq_wrf_recv_from(0:cmaq_wrf_recv_from(0,mype), mype)\n\n cmaq_wrf_computed = .true.\n do k = 0, 8\n\n call loc_index (cmaq_wrf_loc_ngb(k), cmaq_wrf_send_to(:,mype), \n $ cmaq_wrf_loc_ngb_send_to(k,1), \n $ cmaq_wrf_loc_ngb_send_to(k,2)) \n call loc_index (cmaq_wrf_loc_ngb(8-k), cmaq_wrf_recv_from(:,mype), \n $ cmaq_wrf_loc_ngb_recv_from(8-k,1), \n $ cmaq_wrf_loc_ngb_recv_from(8-k,2)) \n end do\n\n! do k = 0, 8\n! write (6, '(a13, 9i5)') ' ==dc3 ngb b ', k, cmaq_wrf_loc_ngb_send_to(k,:)\n! end do\n! do k = 0, 8\n! write (6, '(a13, 9i5)') ' ==dc3 ngb c ', k, cmaq_wrf_loc_ngb_recv_from(k,:)\n! end do\n\n! end if\n\n size_3d = size(cmaq_data, 3)\n\n n_s = 0\n n_r = 0\n do k = 0, 8\n\n sdir = cmaq_wrf_loc_ngb_send_to(k,1) \n rdir = cmaq_wrf_loc_ngb_recv_from(8-k,1) \n \n if (sdir > -1) then\n total_s = total_s + 1 \n s_ind = cmaq_wrf_loc_ngb_send_to(k,2)\n j = (s_ind - 1) * 3 + 1\n\n if (mype .eq. sdir) then\n\n found = .false.\n li = 0\n do while (.not. found)\n li = li + 1\n if (mype .eq. cmaq_wrf_recv_from(li, mype)) then\n found = .true.\n lj = (li - 1) * 3 + 1\n end if\n end do\n\n lr = cmaq_wrf_recv_index_l(lj,2,mype) - 1\n do r = cmaq_wrf_send_index_l(j,2,mype), cmaq_wrf_send_index_l(j+1,2,mype)\n lr = lr + 1\n lc = cmaq_wrf_recv_index_l(lj,1,mype) - 1\n do c = cmaq_wrf_send_index_l(j,1,mype), cmaq_wrf_send_index_l(j+1,1,mype)\n lc = lc + 1\n wrf_data(lc,lr,:) = cmaq_data(c,r,:)\n end do\n end do\n else\n data_size = size_3d * cmaq_wrf_send_index_l(j+2,1,mype) * cmaq_wrf_send_index_l(j+2,2,mype)\n\n allocate (sarray(data_size), stat=error)\n index = 0\n do d = 1, size_3d\n do r = cmaq_wrf_send_index_l(j,2,mype), cmaq_wrf_send_index_l(j+1,2,mype)\n do c = cmaq_wrf_send_index_l(j,1,mype), cmaq_wrf_send_index_l(j+1,1,mype)\n index = index + 1\n sarray(index) = cmaq_data(c,r,d)\n end do\n end do\n end do\n! tag = flag * 1000000 + mype * 1000 + sdir\n tag = flag * 1000 + sdir\n\n! write (6, '(a12, 2i5, 8i10)') ' ==dc3 send ', j, sdir, tag, data_size, \n! $ size_3d, cmaq_wrf_send_index_l(j+2,1,mype),\n! $ cmaq_wrf_send_index_l(j+2,2,mype), size(sarray)\n\n call mpi_send (sarray, data_size, mpi_real, sdir,\n & tag, mpi_comm_world, error)\n\n deallocate (sarray)\n\n end if\n end if\n\n if (rdir > -1) then\n\n total_r = total_r + 1 \n if (mype .ne. rdir) then\n\n r_ind = cmaq_wrf_loc_ngb_recv_from(8-k,2)\n j = (r_ind - 1) * 3 + 1\n\n data_size = size_3d * cmaq_wrf_recv_index_l(j+2,1,mype) * cmaq_wrf_recv_index_l(j+2,2,mype)\n\n allocate (rarray(data_size), stat=error)\n! tag = flag * 1000000 + rdir * 1000 + mype\n tag = flag * 1000 + mype\n\n call mpi_recv (rarray, data_size, mpi_real, rdir, tag, \n $ mpi_comm_world, status, error)\n\n! write (6, '(a12, 2i5, 10i8)') ' ==dc3 recv ', j, rdir, tag,\n! $ data_size, size_3d, cmaq_wrf_recv_index_l(j+2,1,mype), \n! $ cmaq_wrf_recv_index_l(j+2,2,mype), size(rarray)\n\n index = 0\n do d = 1, size_3d\n do r = cmaq_wrf_recv_index_l(j,2,mype), cmaq_wrf_recv_index_l(j+1,2,mype)\n do c = cmaq_wrf_recv_index_l(j,1,mype), cmaq_wrf_recv_index_l(j+1,1,mype)\n index = index + 1\n wrf_data(c,r,d) = rarray(index)\n end do\n end do\n end do\n deallocate (rarray)\n end if\n end if\n\n end do\n\n end subroutine se_cmaq_wrf_comm3\n\n! -----------------------------------------------------------------------------\n\n subroutine se_cmaq_wrf_comm4 (mype, cmaq_data, wrf_data,\n & cmaq_wrf_send_to, cmaq_wrf_recv_from,\n & cmaq_wrf_send_index_l, cmaq_wrf_recv_index_l, \n & flag)\n\n implicit none\n\n integer, intent(in) :: mype\n real, intent(in) :: cmaq_data(:,:,:,:)\n real, intent(out) :: wrf_data(:,:,:,:)\n integer, pointer :: cmaq_wrf_send_to(:,:), cmaq_wrf_recv_from(:,:)\n integer, pointer :: cmaq_wrf_send_index_l(:,:,:), cmaq_wrf_recv_index_l(:,:,:)\n integer, intent(in) :: flag\n\n include \"mpif.h\"\n\n integer :: sdir, rdir, size_l_v, nlays, nvars, si, ri\n logical :: done\n integer :: c, r, l, v, i, j, k, data_size, tag, li, lj, s_ind, \n $ r_ind, index, lr, lc,\n $ request, status(MPI_STATUS_SIZE), error\n real,allocatable :: sarray(:), rarray(:)\n logical :: found\n\n call compute_ngb (mype, cmaq_wrf_loc_ngb, se_twoway_npcol,\n $ se_twoway_nprow)\n\n! write (6, '(a13, 9i5)') ' ==dc4 ngb a ', cmaq_wrf_loc_ngb\n\n! write (6, '(a15, 20i5)') ' ==dc4 send to ', \n! $ cmaq_wrf_send_to(0:cmaq_wrf_send_to(0,mype), mype)\n\n! write (6, '(a15, 20i5)') ' ==dc4 recv fr ', \n! $ cmaq_wrf_recv_from(0:cmaq_wrf_recv_from(0,mype), mype)\n\n do k = 0, 8\n\n call loc_index (cmaq_wrf_loc_ngb(k), cmaq_wrf_send_to(:,mype), \n $ cmaq_wrf_loc_ngb_send_to(k,1),\n $ cmaq_wrf_loc_ngb_send_to(k,2))\n call loc_index (cmaq_wrf_loc_ngb(8-k), cmaq_wrf_recv_from(:,mype), \n $ cmaq_wrf_loc_ngb_recv_from(8-k,1),\n $ cmaq_wrf_loc_ngb_recv_from(8-k,2))\n end do\n\n! do k = 0, 8\n! write (6, '(a13, 9i5)') ' ==dc4 ngb b ', k, cmaq_wrf_loc_ngb_send_to(k,:)\n! end do\n! do k = 0, 8\n! write (6, '(a13, 9i5)') ' ==dc4 ngb c ', k, cmaq_wrf_loc_ngb_recv_from(k,:)\n! end do\n\n nlays = size(cmaq_data, 3)\n nvars = size(cmaq_data, 4)\n size_l_v = nlays * nvars\n\n do k = 0, 8\n\n sdir = cmaq_wrf_loc_ngb_send_to(k,1)\n rdir = cmaq_wrf_loc_ngb_recv_from(8-k,1)\n\n if (sdir > -1) then\n s_ind = cmaq_wrf_loc_ngb_send_to(k,2)\n j = (s_ind - 1) * 3 + 1\n\n if (mype .eq. sdir) then\n\n found = .false.\n li = 0\n do while (.not. found)\n li = li + 1\n if (mype .eq. cmaq_wrf_recv_from(li, mype)) then\n found = .true.\n lj = (li - 1) * 3 + 1\n end if\n end do\n\n lr = cmaq_wrf_recv_index_l(lj,2,mype) - 1\n do r = cmaq_wrf_send_index_l(j,2,mype), cmaq_wrf_send_index_l(j+1,2,mype)\n lr = lr + 1\n lc = cmaq_wrf_recv_index_l(lj,1,mype) - 1\n do c = cmaq_wrf_send_index_l(j,1,mype), cmaq_wrf_send_index_l(j+1,1,mype)\n lc = lc + 1\n wrf_data(lc,lr,:,:) = cmaq_data(c,r,:,:)\n end do\n end do\n else\n data_size = size_l_v * cmaq_wrf_send_index_l(j+2,1,mype) * cmaq_wrf_send_index_l(j+2,2,mype)\n\n allocate (sarray(data_size), stat=error)\n index = 0\n do v = 1, nvars\n do l = 1, nlays\n do r = cmaq_wrf_send_index_l(j,2,mype), cmaq_wrf_send_index_l(j+1,2,mype)\n do c = cmaq_wrf_send_index_l(j,1,mype), cmaq_wrf_send_index_l(j+1,1,mype)\n index = index + 1\n sarray(index) = cmaq_data(c,r,l,v)\n end do\n end do\n end do\n end do\n! tag = flag * 1000000 + mype * 1000 + sdir\n tag = flag * 1000 + sdir\n\n! write (6, '(a12, 2i5, 8i10)') ' ==dc4 send ', j, sdir, tag, data_size, \n! $ size_l_v, cmaq_wrf_send_index_l(j+2,1,mype),\n! $ cmaq_wrf_send_index_l(j+2,2,mype), size(sarray)\n\n call mpi_send (sarray, data_size, mpi_real, sdir,\n & tag, mpi_comm_world, error)\n\n deallocate (sarray)\n\n end if\n end if\n\n if (rdir > -1) then\n\n if (mype .ne. rdir) then\n\n r_ind = cmaq_wrf_loc_ngb_recv_from(8-k,2)\n j = (r_ind - 1) * 3 + 1\n\n data_size = size_l_v * cmaq_wrf_recv_index_l(j+2,1,mype) * cmaq_wrf_recv_index_l(j+2,2,mype)\n\n allocate (rarray(data_size), stat=error)\n! tag = flag * 1000000 + rdir * 1000 + mype\n tag = flag * 1000 + mype\n\n! write (6, '(a12, 2i5, 10i8)') ' ==dc4 recv ', j, rdir, tag,\n! $ data_size, size_l_v, cmaq_wrf_recv_index_l(j+2,1,mype), \n! $ cmaq_wrf_recv_index_l(j+2,2,mype), size(rarray)\n\n call mpi_recv (rarray, data_size, mpi_real, rdir, tag,\n $ mpi_comm_world, status, error)\n\n index = 0\n do v = 1, nvars\n do l = 1, nlays\n do r = cmaq_wrf_recv_index_l(j,2,mype), cmaq_wrf_recv_index_l(j+1,2,mype)\n do c = cmaq_wrf_recv_index_l(j,1,mype), cmaq_wrf_recv_index_l(j+1,1,mype)\n index = index + 1\n wrf_data(c,r,l,v) = rarray(index)\n end do\n end do\n end do\n end do\n deallocate (rarray)\n end if\n end if\n\n end do\n\n return\n end subroutine se_cmaq_wrf_comm4\n\n! -----------------------------------------------------------------------------\n\n subroutine se_twoway_send4 (mype, si, sdir, source_data, dest_data, \n & recv_from, send_index_l, \n & recv_index_l, flag, size_l_v,\n & nvars, nlays)\n\n integer, intent(in) :: mype, si, sdir, size_l_v, nvars, nlays\n real, intent(in) :: source_data(:,:,:,:)\n real, intent(out) :: dest_data(:,:,:,:)\n integer, pointer :: recv_from(:,:)\n integer, pointer :: send_index_l(:,:,:), recv_index_l(:,:,:)\n integer, intent(in) :: flag\n\n include \"mpif.h\" \n\n integer :: c, r, lc, lr, l, v, j, index, request, status(MPI_STATUS_SIZE), error\n integer :: data_size, tag, lj, li \n real, allocatable :: sarray(:)\n logical :: found\n\n allocate (sarray(size(source_data)), stat=error)\n\n j = (si - 1) * 3 + 1 ! 1st diminsion of *_index_l array has three components: \n ! starting index, ending index, and distance\n ! between starting and ending indices\n\n if (mype .eq. sdir) then\n\n found = .false.\n li = 0\n do while (.not. found)\n li = li + 1\n if (mype .eq. recv_from(li, mype)) then\n found = .true.\n lj = (li - 1) * 3 + 1\n end if\n end do\n\n do v = 1, nvars\n do l = 1, nlays\n lr = recv_index_l(lj,2,mype) - 1\n do r = send_index_l(j,2,mype), send_index_l(j+1,2,mype)\n lr = lr + 1\n lc = recv_index_l(lj,1,mype) - 1\n do c = send_index_l(j,1,mype), send_index_l(j+1,1,mype)\n lc = lc + 1\n dest_data(lc,lr,l,v) = source_data(c,r,l,v)\n end do\n end do\n end do\n end do\n\n else\n\n data_size = size_l_v * send_index_l(j+2,1,mype) * send_index_l(j+2,2,mype)\n\n index = 0\n do v = 1, nvars\n do l = 1, nlays\n do r = send_index_l(j,2,mype), send_index_l(j+1,2,mype)\n do c = send_index_l(j,1,mype), send_index_l(j+1,1,mype)\n index = index + 1\n sarray(index) = source_data(c,r,l,v)\n end do\n end do\n end do\n end do\n! tag = flag * 1000000 + mype * 1000 + sdir\n tag = flag * 1000 + sdir\n\n! call mpi_issend (sarray(1:data_size), data_size, mpi_real, sdir,\n! & tag, mpi_comm_world, request, error)\n call mpi_send (sarray(1:data_size), data_size, mpi_real, sdir,\n & tag, mpi_comm_world, error)\n\n! call mpi_wait (request, status, error)\n! call mpi_request_free (request, error)\n end if\n\n deallocate (sarray)\n\n end subroutine se_twoway_send4\n\n! -----------------------------------------------------------------------------\n\n subroutine se_twoway_recv4 (mype, ri, rdir, dest_data, \n & recv_index_l, flag, size_l_v,\n & nvars, nlays)\n\n integer, intent(in) :: mype, ri, rdir, size_l_v, nvars, nlays\n real, intent(out) :: dest_data(:,:,:,:)\n integer, pointer :: recv_index_l(:,:,:)\n integer, intent(in) :: flag\n\n include \"mpif.h\"\n\n integer :: c, r, lc, lr, l, v, j, index, request, status(MPI_STATUS_SIZE), error\n integer :: data_size, tag\n real, allocatable :: rarray(:)\n logical :: found\n\n allocate (rarray(size(dest_data)), stat=error)\n\n j = (ri - 1) * 3 + 1 ! 1st diminsion of *_index_l array has three components: \n ! starting index, ending index, and distance\n ! between starting and ending indices\n\n data_size = size_l_v * recv_index_l(j+2,1,mype) * recv_index_l(j+2,2,mype)\n\n! tag = flag * 1000000 + rdir * 1000 + mype\n tag = flag * 1000 + mype\n\n call mpi_recv (rarray(1:data_size), data_size, mpi_real, rdir, tag, mpi_comm_world, status, error)\n\n index = 0\n do v = 1, nvars\n do l = 1, nlays\n do r = recv_index_l(j,2,mype), recv_index_l(j+1,2,mype)\n do c = recv_index_l(j,1,mype), recv_index_l(j+1,1,mype)\n index = index + 1\n dest_data(c,r,l,v) = rarray(index)\n end do\n end do\n end do\n end do\n\n deallocate (rarray)\n\n end subroutine se_twoway_recv4 \n\n! -----------------------------------------------------------------------------\n subroutine compute_ngb (mype, loc_ngb, npcol, nprow)\n\n integer, intent(in) :: mype, npcol, nprow\n integer, intent(out) :: loc_ngb(0:)\n\n integer :: loci, locj, pos, i, j\n integer, parameter :: conv(9) = (/ 0, 1, 2, 3, 5, 6, 7, 8, 4 /)\n\n loci = mype / npcol\n locj = mod ( mype, npcol )\n pos = 0\n do i = loci-1, loci+1\n do j = locj-1, locj+1\n if ( ( i .ne. loci ) .or. ( j .ne. locj ) ) then\n pos = pos + 1\n if ( ( i .ge. 0 ) .and. ( i .lt. nprow ) .and.\n & ( j .ge. 0 ) .and. ( j .lt. npcol ) ) then\n loc_ngb( conv( pos ) ) = i * npcol + j\n else\n loc_ngb( conv( pos ) ) = -1\n end if\n else\n loc_ngb( 4 ) = mype\n end if\n end do\n end do\n\n end subroutine compute_ngb\n\n! -----------------------------------------------------------------------------\n subroutine loc_index (pe, list, dir, ind)\n\n integer, intent(in) :: pe, list(0:)\n integer, intent(out) :: dir, ind\n\n logical :: found\n integer :: n\n\n found = .false.\n n = 0\n dir = -1\n ind = -1\n do while ((.not. found) .and. (n < list(0)))\n n = n + 1\n if (list(n) == pe) then\n found = .true.\n dir = list(n)\n ind = n\n end if\n end do\n\n end subroutine loc_index\n\n end module se_twoway_comm_module\n" }, { "path": "CCTM/src/STENEX/se/se_util_module.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/work/rep/STENEX/src/se_snl/se_util_module.f,v 1.3 2006/02/17 12:54:05 yoj Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC use F90 interface feature to achieve \"faked\" polymorphism for data\nC initialization routine and use F90 module feature to collect a set of \nC utility routines which consists of:\nC\nC se_init_array\nC se_hi_lo_bnd_pe\nC se_loop_index\nC se_barrier\nC se_global_min_data\nC se_global_to_local_coord\nC se_subgrid_index\nC se_sum_chk\nC se_my_region\nC se_global_logical\nC se_in_syn\nC\nC that are used directly from the application\nC\nC Revision history:\nC\nC Orginal version: 11/05/99 by David Wong\nC 02/11/00 by David Wong\nC -- include a new module, se_csg_index.f\nC 04/24/00 by David Wong\nC -- include a new module, se_global_logical.f\nC 11/05/00 by David Wong\nC -- use F90 interface construct to distinguish integer or\nC real array initialization\nC -- use F90 interface construct to distinguish integer or\nC real check sum\nC 08/24/11 by David Wong\nC -- eliminated data orientation\nC -----------------------------------------------------------------------------\n\n module se_util_module\n\n implicit none\n\n interface se_init_array\n module procedure se_init_iarray, se_init_rarray\n end interface\n\n interface se_sum_chk\n module procedure se_isum_chk, se_rsum_chk\n end interface\n\n interface se_subgrid_index\n module procedure se_subgrid_index_2, se_subgrid_index_3,\n & se_subgrid_index_n2, se_subgrid_index_n3\n end interface\n\n contains\n\nC -----------------------------------------------------------------------------\nC Purpose:\nC\nC initialize an array with a specific integer value \nC\nC Subroutine parameter description:\nC\nC In: wpe -- input array\nC val -- initial value\nC\nC Out: wpe\nC\nC Local variable: i -- loop index\nC\nC Revision history:\nC\nC Orginal version: 6/18/99 by David Wong\nC 11/05/99 by David Wong\nC -- recode the code using F90 syntax\nC -----------------------------------------------------------------------------\n\n subroutine se_init_iarray ( wpe, val )\n\n implicit none\n\n integer, intent(out) :: wpe(:) \n integer, intent(in) :: val\n\n integer i\n\n do i = 1, size(wpe,1)\n wpe(i) = val\n end do\n\n return\n end subroutine se_init_iarray\n\nC -----------------------------------------------------------------------------\nC Purpose:\nC\nC initialize an array with a specific real value\nC\nC Subroutine parameter description:\nC\nC In: wpe -- input array\nC val -- initial value\nC\nC Out: wpe\nC\nC Local variable: i -- loop index\nC\nC Revision history:\nC\nC Orginal version: 10/05/00 by David Wong\nC -----------------------------------------------------------------------------\n\n subroutine se_init_rarray ( wpe, val )\n\n implicit none\n\n real, intent(out) :: wpe(:)\n real, intent(in) :: val\n\n integer i\n\n do i = 1, size(wpe,1)\n wpe(i) = val\n end do\n\n return\n end subroutine se_init_rarray\n\nC -----------------------------------------------------------------------------\nC Purpose:\nC\nC To determine if a processor contains global boundary cells and if the\nC processor is a low boundary or high boundary processor according to the\nC domain decomposition.\nC\nC For example, suppose there are 4 processors with 1 x 4 processor\nC configuration as follows:\nC\nC 0 1 2 3\nC\nC In row orientation, PE 0 is a low boundary processor, and PE 3 is a high \nC boundary processor.\nC\nC In column orientation, PE 0 is both a low and a high boundary processor.\nC\nC Revision history:\nC\nC Orginal version: 1/19/99 by David Wong\nC 11/05/99 by David Wong\nC -- recode the code using F90 syntax\nC 11/05/00 by David Wong\nC -- replaced 'R' with 'Y' (Y-axis) and 'C' with 'X' \nC (X-axis) to provide a better description of variable \nC ori\nC 12/20/00 by Jeff Young\nC -- add optional 'R' or 'Y' and 'C' or 'X'\nC 08/24/11 by David Wong\nC -- removed se_ori_ext to eliminate data and geo orientation\nC\nC Subroutine parameter description:\nC\nC In: ori -- orientation of 1-D data from the grid domain, row or column\nC \nC Out: low_index -- logical variable to indicate processor along North or \nC West boundary depends on the orientation\nC high_index -- logical variable to indicate processor along South or \nC East boundary depends on the orientation\nC\nC Local variable description:\nC\nC top -- position of the North of West direction in the se_nbg_pe array\nC bot -- position of the South of East direction in the se_nbg_pe array\nC\nC Include files:\nC\nC se_comm_info_ext\nC -----------------------------------------------------------------------------\n\n subroutine se_hi_lo_bnd_pe (ori, low_index, high_index)\n\n use se_comm_info_ext\n! use se_ori_ext\n\n implicit none\n\n character, intent(in) :: ori\n logical, intent(out) :: low_index, high_index\n\n integer :: top, bot\n\n if (ori .eq. 'Y' .or. ori .eq. 'R') then\n top = 1\n bot = 5\n else\n top = 7\n bot = 3\n end if\n\n low_index = .false.\n high_index = .false.\n\n if (se_ngb_pe(top) .eq. -1) then\n low_index = .true.\n end if\n\n if (se_ngb_pe(bot) .eq. -1) then\n high_index = .true.\n end if\n\n return\n end subroutine se_hi_lo_bnd_pe\n\nC -----------------------------------------------------------------------------\nC Purpose:\nC\nC To map loop indexes INDEX1..INDEX2 in the serial code to the corresponding\nC starting and ending loop indexes in the parallel code, when a 1-D array,\nC extracted for a row or a column of the grid domain is passed into an\nC advection subroutine. These indexes depend on processor location in the\nC domain decomposition processor map and whether the processor contains an\nC exterior boundary.\nC The following description illustrates mapping serial loop indexes to\nC parallel code loop indexes:\nC\nC serial loop parallel local\nC index loop index\nC\nC a 1\nC a+1 2\nC . .\nC . .\nC . .\nC a+i i+1\nC ------------ processor boundary ----------\nC a+i+1 1\nC . .\nC . .\nC . .\nC a+j j-i\nC ------------ processor boundary ----------\nC a+j+1 1\nC . .\nC . .\nC . .\nC a+n-1 n-j-1\nC a+n n-j\nC \nC\nC Here is an example: given 16 processors with a 4 x 4 processor map, and a \nC domain grid size 18 x 25 (row x column), so\nC \nC processor map: 12 13 14 15\nC 8 9 10 11\nC 4 5 6 7\nC 0 1 2 3\nC\nC proc # nrows x ncols my_nrows x my_ncols\nC -------------------------------------------------------\nC 0,4 5 x 7 5 x 7 \nC 1,2,3,5,6,7 5 x 7 5 x 6 \nC 8,12 5 x 7 4 x 7 \nC 9,10,11,13,14,15 5 x 7 4 x 6\nC\nC For a row of the 2D domain (in xadv*.F), processors 0, 4, 8, and 12 are\nC BNDY_LO_PE's, processors 3, 7, 11, and 15 are BNDY_HI_PE's, and the rest\nC of the processors are interior processors. If for the serial code, a loop\nC runs from 3 to 22, then the starting and ending indexes are:\nC\nC proc # starting index ending index\nC ------------------------------------------------------\nC 0,4,8,12 3 7\nC 1,2,5,6,9,10,13,14 1 6\nC 3,7,11,15 1 3\nC\nC For a column of the 2D domain (in yadv*.F), processors 0, 1, 2, and 3 are\nC BNDY_LO_PE's, processors 12, 13, 14, and 15 are BNDY_HI_PE's, and the rest\nC of the processors are interior processors. If for the serial code, a loop\nC runs from 2 to 17, then the starting and ending indexes are:\nC\nC proc # starting index ending index\nC ------------------------------------------------------\nC 0,1,2,3 2 5\nC 4,5,6,7 1 5\nC 8,9,10,11 1 4\nC 12,13,14,15 1 3\nC\nC\nC Revision history:\nC\nC Orginal version: 9/14/98 by David Wong\nC : 1/19/99 by David Wong\nC took away lo and hi boundary pe calculation, calculate dif\nC locally\nC 11/05/99 by David Wong\nC -- recode the code using F90 syntax\nC 12/20/00 by Jeff Young\nC -- add optional 'R' or 'Y' and 'C' or 'X'\nC 08/24/11 by David Wong\nC -- removed se_ori_ext to eliminate data and geo orientation\nC\nC Subroutine parameter description:\nC\nC In: ori -- orientation of 1-D data from the grid domain, row or column\nC gstart -- original starting point of the loop\nC gend -- original data dimension\nC dif -- difference in ending dimension for a loop, such that\nC GEND + DIF is the orginal ending point\nC \nC Out: my_nn -- number of data points in the processor\nC start -- loop starting index of data in the processor\nC end -- loop ending index of data in the processor\nC\nC Local variable description:\nC\nC top -- position of the North of West direction in the se_nbg_pe array\nC bot -- position of the South of East direction in the se_nbg_pe array\nC dif -- difference in the original loop ending count\nC\nC Include files:\nC\nC se_domain_info_ext\nC -----------------------------------------------------------------------------\n\n subroutine se_loop_index (ori, gstart, gend, dif, my_nn, start, end)\n\n use se_domain_info_ext\n use se_comm_info_ext\n! use se_ori_ext\n\n implicit none\n\n integer, intent(out) :: my_nn, start, end\n character, intent(in) :: ori\n integer, intent(in) :: gstart, gend, dif\n\n integer :: top, bot\n\n if (ori .eq. 'Y' .or. ori .eq. 'R') then\n top = 1\n bot = 5\n my_nn = se_my_nrows\n else\n top = 7\n bot = 3\n my_nn = se_my_ncols\n end if\n\n start = 1\n end = my_nn\n\n if (se_ngb_pe(top) .eq. -1) then\n start = gstart\n end if\n\n if (se_ngb_pe(bot) .eq. -1) then\n end = my_nn + dif\n end if\n\n return\n end subroutine se_loop_index\n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC to set a barrier for synchronization purpose (hiding details from user and\nC avoid to include any MPI header files in the original code).\nC\nC Local variable description:\nC\nC error -- return error of calling MPI subroutine\nC\nC Revision history:\nC\nC Orginal version: 9/14/98 by David Wong\nC\nC 11/05/99 by David Wong\nC -- recode the code using F90 syntax\nC 12/04/02 by David Wong\nC -- modified the routine to accommodate worker and \nC I/O processors partition scheme\nC 01/30/17 by David Wong\nC -- modified the routine to avoid unnecessary creating\nC and destroying communicator\nC --------------------------------------------------------------------------\n\n subroutine se_barrier (flag)\n\n use se_pe_info_ext\n\n implicit none\n\n character, optional, intent(in) :: flag\n\n include \"mpif.h\"\n\n integer :: local_comm, error\n\n if (present(flag)) then\n call mpi_comm_dup (se_worker_comm, local_comm, error)\n call mpi_barrier (local_comm, error)\n call mpi_comm_free (local_comm, error)\n else\n call mpi_barrier (mpi_comm_world, error)\n end if\n\n return\n end subroutine se_barrier\n\nC -----------------------------------------------------------------------------\nC Purpose: \nC\nC to determine the global minimum of variable VAR and broadcast data which are\nC associated with the minimum VAR\nC\nC Note: this is a specific subroutine for 11 associated data. If the number of\nC associated data is changed, a new subroutin is needed.\nC\nC Revision history:\nC\nC Orginal version: 2/15/99 by David Wong\nC \nC 11/05/99 by David Wong\nC -- recode the code using F90 syntax\nC \nC 12/04/02 by David Wong\nC -- modified the routine to accommodate worker and \nC I/O processors partition scheme\nC \nC Parameter List:\nC\nC In: var -- distributed variable which needs be determined the min value\nC among all processors\nC\nC Out: col,\nC row, \nC lvl, \nC meddyv, \nC never,\nC mtrop,\nC ftrop,\nC mth1,\nC mth2,\nC mrib,\nC mws -- data which are associated with the minimum var\nC\nC Local Variable:\nC\nC num_item -- number of associated variables\nC datain -- an array holds var and its associated PE number\nC dataout -- an array holds the minimum of var and its associated PE number\nC in PE 0 only\nC packdata -- an array holds all the associated data\nC min_pe -- PE number assoicated with minimum var\nC error -- error code of mpi call\nC\nC Include Files:\nC\nC mpif.h\nC se_pe_info_ext\nC se_domain_info_ext\nC -----------------------------------------------------------------------------\n\n subroutine se_global_min_data (var, col, row, lvl, meddyv, never,\n & mtrop, ftrop, mth1, mth2, mrib, mws)\n\n use se_pe_info_ext\n use se_domain_info_ext\n\n implicit none\n\n real, intent(in) :: var \n real, intent(inout) :: meddyv, mth1, mth2, mrib, mws\n integer, intent(inout) :: col, row, lvl, mtrop\n logical, intent(inout) :: never, ftrop\n\n include \"mpif.h\"\n\n integer :: num_item = 11\n\n real :: datain(2), dataout(2) \n real, allocatable :: packdata(:)\n integer :: min_pe, error, allocate_status\n\nC -- allocate data\n allocate (packdata(num_item), stat=allocate_status)\n if (allocate_status .ne. 0) then\n print *, ' Allocation error in subroutine SE_GLOBAL_MIN_DATA'\n stop\n end if\n\n datain(1) = var\n datain(2) = float(se_myworker_pe)\n\n call mpi_reduce (datain, dataout, 1, mpi_2real, MPI_MINLOC, 0, \n & se_worker_comm, error)\n\n call mpi_bcast (dataout(2), 1, mpi_real, 0, se_worker_comm, error)\n\n min_pe = dataout(2)\n\n packdata(1) = col + se_gl_ind(1, 2, min_pe) - 1\n packdata(2) = row + se_gl_ind(1, 1, min_pe) - 1\n packdata(3) = lvl\n packdata(4) = meddyv\n if (never) then\n packdata(5) = 0.0\n else\n packdata(5) = 1.0\n end if\n packdata(6) = float(mtrop)\n if (ftrop) then\n packdata(7) = 0.0\n else\n packdata(7) = 1.0\n end if\n packdata(8) = mth1\n packdata(9) = mth2\n packdata(10) = mrib\n packdata(11) = mws\n\n call mpi_bcast (packdata, num_item, mpi_real, min_pe, se_worker_comm, \n & error)\n\n col = packdata(1)\n row = packdata(2)\n lvl = packdata(3)\n meddyv = packdata(4)\n if (packdata(5) .eq. 0.0) then\n never = .true.\n else\n never = .false.\n end if\n mtrop = packdata(6)\n if (packdata(7) .eq. 0.0) then\n ftrop = .true. \n else\n ftrop = .false. \n end if\n mth1 = packdata(8) \n mth2 = packdata(9)\n mrib = packdata(10)\n mws = packdata(11)\n \n deallocate(packdata)\n \n return\n end subroutine se_global_min_data\n\nC --------------------------------------------------------------------------\nC Purpose:\nC\nC to convert global grid coordinate to local grid coordinate with respect to\nC the thickness of ghost zone. The subroutine will return (-999, -999) if the \nC global grid point does not fall in the sub domain that a PE owns.\nC\nC Revision history:\nC\nC Orginal version: 6/18/99 by David Wong \nC 11/05/99 by David Wong\nC -- recode the code using F90 syntax\nC -- moved the data orientation dependency to higher level\nC 12/04/02 by David Wong\nC -- modified the routine to accommodate worker and \nC I/O processors partition scheme\nC 12/27/05 by David Wong\nC -- made the routine more robust to avoid IO processor\nC to access non-existence memory\nC\nC Subroutine parameter description:\nC\nC In: x -- global grid x coordiate\nC y -- global grid y coordiate\nC nthick -- thickness of ghost zone, if nthick = 0, there is no ghost \nC zone\nC\nC Out: my_x -- local grid x coordiate\nC my_y -- local grid y coordiate\nC\nC Local variable description:\nC\nC not_in_my_pe -- a constant to indicate the grid point is not in the\nC local processor grid region\nC\nC loc_x, loc_y -- output copy the local grid coordination \nC\nC Example:\nC\nC given 21 x 21 data domain with 4 x 2 PE configuration and \"cr\" orientation, \nC let global grid point be (8,15), local grid point will be (2, 4) in PE 5 and\nC (0, 0) elsewhere. \nC\nC Include file:\nC\nC se_pe_info_ext\nC se_domain_info_ext\nC\nC --------------------------------------------------------------------------\n\n subroutine se_global_to_local_coord (x, y, my_x, my_y, nthick)\n\n use se_pe_info_ext\n use se_domain_info_ext\n\n implicit none\n\n integer, intent(in) :: x, y, nthick\n integer, intent(inout) :: my_x, my_y\n\n integer, parameter :: not_in_my_pe = -999\n\n integer :: loc_x, loc_y\n\n loc_x = not_in_my_pe\n loc_y = not_in_my_pe\n\n if (se_myworker_pe .ge. 0) then\n if (((se_gl_ind(1,1,se_myworker_pe) - nthick) .le. x) .and. \n & (x .le. (se_gl_ind(2,1,se_myworker_pe) + nthick))) then\n loc_x = x - se_gl_ind(1,1,se_myworker_pe) + 1\n end if\n\n if (((se_gl_ind(1,2,se_myworker_pe) - nthick) .le. y) .and. \n & (y .le. (se_gl_ind(2,2,se_myworker_pe) + nthick))) then\n loc_y = y - se_gl_ind(1,2,se_myworker_pe) + 1\n end if\n\n if (loc_x .eq. not_in_my_pe) then\n loc_y = not_in_my_pe\n else if (loc_y .eq. not_in_my_pe) then\n loc_x = not_in_my_pe\n end if\n end if\n\n my_x = loc_x\n my_y = loc_y\n\n return\n end subroutine se_global_to_local_coord\n\nC -- Fortran functions\n\nC -----------------------------------------------------------------------------\nC Purpose: determine the logical relationship between var1 and var2 according\nC to the operator, op, i.e. checking var1 op var2 is true or not\nC\nC Orginal version: 2/15/99 by David Wong\nC\nC 11/05/99 by David Wong\nC -- recode the code using F90 syntax\nC\nC 10/05/00 by David Wong\nC -- expanded to distinguish integer or real variable\nC\nC 12/04/02 by David Wong\nC -- modified the routine to accommodate worker and \nC I/O processors partition scheme\nC\nC Parameter List:\nC\nC In: var1 -- variable one\nC var2 -- variable two\nC op -- logical operator, EQ, GT, GE, LT, and LE\nC\nC Local Variable:\nC\nC sum -- local variable for computing global sum\nC lse_isum_chk -- local variable for holding the logical relationship\nC error -- error code for mpi call\nC\nC Include Files:\nC\nC se_pe_info.ext:\nC -----------------------------------------------------------------------------\n\n function se_isum_chk (var1, op, var2) result (se_isum_chk_result)\n\n use se_pe_info_ext\n\n implicit none\n\n logical :: se_isum_chk_result\n integer, intent(in) :: var1, var2\n character (len = 2), intent(in) :: op\n\n include \"mpif.h\"\n\n integer :: sum, error\n logical :: lse_isum_chk\n\n call mpi_reduce (var1, sum, 1, mpi_integer, mpi_sum, 0,\n & se_worker_comm, error)\n\n if (se_myworker_pe .eq. 0) then\n lse_isum_chk = .false.\n if (op .eq. 'EQ') then\n if (sum .eq. var2) then\n lse_isum_chk = .true.\n end if\n else if (op .eq. 'GT') then\n if (sum .gt. var2) then\n lse_isum_chk = .true.\n end if\n else if (op .eq. 'GE') then\n if (sum .ge. var2) then\n lse_isum_chk = .true.\n end if\n else if (op .eq. 'LT') then\n if (sum .lt. var2) then\n lse_isum_chk = .true.\n end if\n else \n if (sum .le. var2) then\n lse_isum_chk = .true.\n end if\n end if\n se_isum_chk_result = lse_isum_chk\n end if\n\n call mpi_bcast (se_isum_chk_result, 1, mpi_logical, 0, \n & se_worker_comm, error)\n\n return\n end function se_isum_chk\n\nC -----------------------------------------------------------------------------\nC Purpose: determine the logical relationship between var1 and var2 according\nC to the operator, op, i.e. checking var1 op var2 is true or not\nC\nC Orginal version: 2/15/99 by David Wong\nC\nC 11/05/99 by David Wong\nC -- recode the code using F90 syntax\nC\nC 10/05/00 by David Wong\nC -- expanded to distinguish integer or real variable\nC\nC 12/04/02 by David Wong\nC -- modified the routine to accommodate worker and \nC I/O processors partition scheme\nC\nC 05/19/03 by David Wong\nC -- fixed a bug which declared sum in the wrong type\nC\nC Parameter List:\nC\nC In: var1 -- variable one\nC var2 -- variable two\nC op -- logical operator, EQ, GT, GE, LT, and LE\nC\nC Local Variable:\nC\nC sum -- local variable for computing global sum\nC lse_rsum_chk -- local variable for holding the logical relationship\nC error -- error code for mpi call\nC\nC Include Files:\nC\nC se_pe_info.ext:\nC -----------------------------------------------------------------------------\n\n function se_rsum_chk (var1, op, var2) result (se_rsum_chk_result)\n\n use se_pe_info_ext\n\n implicit none\n\n logical :: se_rsum_chk_result\n real, intent(in) :: var1, var2\n character (len = 2), intent(in) :: op\n\n include \"mpif.h\"\n\n real :: sum\n integer :: error\n logical :: lse_rsum_chk\n\n call mpi_reduce (var1, sum, 1, mpi_real, mpi_sum, 0,\n & se_worker_comm, error)\n\n if (se_myworker_pe .eq. 0) then\n lse_rsum_chk = .false.\n if (op .eq. 'EQ') then\n if (sum .eq. var2) then\n lse_rsum_chk = .true.\n end if\n else if (op .eq. 'GT') then\n if (sum .gt. var2) then\n lse_rsum_chk = .true.\n end if\n else if (op .eq. 'GE') then\n if (sum .ge. var2) then\n lse_rsum_chk = .true.\n end if\n else if (op .eq. 'LT') then\n if (sum .lt. var2) then\n lse_rsum_chk = .true.\n end if\n else\n if (sum .le. var2) then\n lse_rsum_chk = .true.\n end if\n end if\n se_rsum_chk_result = lse_rsum_chk\n end if\n\n call mpi_bcast (se_rsum_chk_result, 1, mpi_logical, 0,\n & se_worker_comm, error)\n\n return\n end function se_rsum_chk\n\nC -----------------------------------------------------------------------------\nC Purpose: \nC\nC to determine where a global grid point is reside in local processor when\nC the global domain is decomposed\nC\nC Revision history:\nC\nC Orginal version: 6/18/99 by David Wong\nC 11/05/99 by David Wong\nC -- recode the code using F90 syntax\nC -- moved the data orientation dependency to higher level\nC 12/03/01 by David Wong\nC -- modified the algorithm to set variable WPE negative\nC if coordinate (x, y) is not in the domain\nC 12/04/02 by David Wong\nC -- modified the routine to accommodate worker and \nC I/O processors partition scheme\nC 12/27/05 by David Wong\nC -- made the routine more robust to avoid IO processor\nC to access non-existence memory\nC\nC Parameter List:\nC\nC In: x -- x coordinate of a global grid point\nC y -- y coordinate of a global grid point\nC\nC Out: wpe -- PE number\nC\nC Local Variable:\nC\nC lwpe -- local PE number\nC\nC -----------------------------------------------------------------------------\n\n function se_my_region (x, y, wpe) result (se_my_region_result)\n\n use se_pe_info_ext\n use se_domain_info_ext\n\n implicit none\n\n include \"mpif.h\"\n\n integer, intent(in) :: x, y\n integer, intent(out) :: wpe\n logical :: se_my_region_result\n\n integer :: lwpe, error\n\n se_my_region_result = .false.\n lwpe = 0\n\n if (se_myworker_pe .ge. 0) then\n if ((se_gl_ind(1,1,se_myworker_pe) .le. x) .and.\n & (x .le. se_gl_ind(2,1,se_myworker_pe)) .and.\n & (se_gl_ind(1,2,se_myworker_pe) .le. y) .and.\n & (y .le. se_gl_ind(2,2,se_myworker_pe))) then\n se_my_region_result = .true.\n lwpe = se_myworker_pe + 1\n end if\n end if\n\n call mpi_reduce (lwpe, wpe, 1, mpi_integer, mpi_sum, 0,\n & se_worker_comm, error)\n\n if (wpe .eq. 0) then\n wpe = -1\n else\n wpe = wpe - 1\n end if\n\n call mpi_bcast (wpe, 1, mpi_integer, 0, se_worker_comm, error)\n\n return\n end function se_my_region\n\nC -----------------------------------------------------------------------------\nC Purpose:\nC\nC determine the global logical operation which can be AND, OR\nC\nC Revision history:\nC\nC Orginal version: 04/24/00 by David Wong\nC\nC 12/04/02 by David Wong\nC -- modified the routine to accommodate worker and \nC I/O processors partition scheme\nC\nC Parameter List:\nC\nC InOut: var -- distributed variable which needs be determined the\nC logical value among all processors\nC In : operator -- operator type\nC\nC Local Variable:\nC\nC temp_var -- local temporary copy of var\nC error -- error code of mpi call\nC\nC Include Files:\nC\nC mpif.h\nC -----------------------------------------------------------------------------\n\n subroutine se_global_logical (var, op)\n\n use se_pe_info_ext\n\n implicit none\n\n logical var\n character*3 op\n\n include \"mpif.h\"\n\n logical temp_var\n integer error\n\n temp_var = var\n\n if ((op .eq. 'AND') .or. (op .eq. 'and')) then\n call mpi_reduce (var, temp_var, 1, mpi_logical, MPI_LAND, 0,\n & se_worker_comm, error)\n else if ((op .eq. 'OR') .or. (op .eq. 'or')) then\n call mpi_reduce (var, temp_var, 1, mpi_logical, MPI_LOR, 0,\n & se_worker_comm, error)\n end if\n\n call mpi_bcast (temp_var, 1, mpi_logical, 0, se_worker_comm, error)\n\n var = temp_var\n\n return\n end subroutine se_global_logical\n\nC -----------------------------------------------------------------------------\nC Purpose:\nC\nC given starting point and ending point in terms of column and row number in\nC original grid domain, determine a sub-grid mapping with re-distribution of\nC data for a 2-D data structure. The routine provides a flexibility that the\nC sub-grid has a different resolution indicates with optional variables: \nC nrows_in and ncols_in.\nC\nC Revision history:\nC\nC Orginal version: 10/26/00 by David Wong\nC\nC 1/23/01 by David Wong\nC -- deallocate se_lgl_ind\nC\nC 12/04/02 by David Wong\nC -- modified the routine to accommodate worker and \nC I/O processors partition scheme\nC\nC 12/27/05 by David Wong\nC -- made the routine more robust to avoid IO processor\nC to access non-existence memory\nC\nC 08/24/11 by David Wong\nC -- removed se_ori_ext to eliminate data and geo orientation\nC\nC Parameter List:\nC\nC In : begrow -- starting row number in the original grid\nC endrow -- ending row number in the original grid\nC begcol -- starting column number in the original grid\nC endcol -- ending column number in the original grid\nC\nC Out : my_begrow -- starting row number of the sub-grid in a processor\nC my_endrow -- end row number of the sub-grid in a processor\nC my_begcol -- starting column number of the sub-grid in a processor\nC my_endcol -- end column number of the sub-grid in a processor\nC my_subgrid_rows -- number of sub-grid rows in a processor\nC my_subgrid_cols -- number of sub-grid columns in a processor\nC\nC In (optional) : nrows_in -- number of rows in the sub-grid\nC ncols_in -- number of columns in the sub-grid\nC\nC Local Variable:\nC\nC intersect -- intersection indicator\nC se_lgl_ind -- local global index\nC se_lgl_ind_ptr -- local global index pointer\nC i -- loop index\nC allocate_status -- memory allocation error indicator\nC\nC -----------------------------------------------------------------------------\n\n subroutine se_subgrid_index_2 (begrow, endrow, begcol, endcol, \n & my_begrow, my_endrow, \n & my_begcol, my_endcol,\n & my_subgrid_rows, my_subgrid_cols,\n & nrows_in, ncols_in)\n\n use se_pe_info_ext\n use se_domain_info_ext\n use se_subgrid_info_ext\n! use se_ori_ext\n use se_internal_util_module\n\n implicit none\n\n integer, intent(in) :: begrow, endrow, begcol, endcol\n integer, intent(out) :: my_begrow, my_endrow, my_begcol, my_endcol\n integer, intent(out) :: my_subgrid_rows, my_subgrid_cols\n integer, optional, intent(in) :: nrows_in, ncols_in\n\n integer :: i, allocate_status\n\n integer, allocatable, target :: se_lgl_ind(:,:,:)\n integer, pointer :: se_lgl_ind_ptr(:,:,:)\n\n logical :: intersect\n\nC -- allocate data\n allocate (se_subgrid_send_ind(2, 4, 0:se_numworkers-1), \n & stat=allocate_status)\n if (allocate_status .ne. 0) then\n print *, ' Subroutine SE_SUBGD_INDEX: ',\n & ' allocation erorr in se_subgrid_send_ind'\n stop\n end if\n\n allocate (se_subgrid_recv_ind(2, 4, 0:se_numworkers-1), \n & stat=allocate_status)\n if (allocate_status .ne. 0) then\n print *, ' Subroutine SE_SUBGD_INDEX: ',\n & ' allocation erorr in se_subgrid_recv_ind'\n stop\n end if\n\n allocate (se_subgrid_send(0:se_numworkers-1), stat=allocate_status)\n if (allocate_status .ne. 0) then\n print *, ' Subroutine SE_SUBGD_INDEX: ',\n & 'allocation erorr in se_subgrid_send'\n stop\n end if\n\n allocate (se_subgrid_recv(0:se_numworkers-1), stat=allocate_status)\n if (allocate_status .ne. 0) then\n print *, ' Subroutine SE_SUBGD_INDEX: ',\n & 'allocation erorr in se_subgrid_recv'\n stop\n end if\n\n se_subgrid_send_ind_ptr => se_subgrid_send_ind\n se_subgrid_recv_ind_ptr => se_subgrid_recv_ind\n se_subgrid_send_ptr => se_subgrid_send\n se_subgrid_recv_ptr => se_subgrid_recv\n\nC -- allocate data\n allocate (se_subgrid_ind(2, 2, 0:se_numworkers-1), stat=allocate_status)\n if (allocate_status .ne. 0) then\n print *, ' Allocation error in subroutine SE_SUBGD_INDEX'\n stop\n end if\n\n se_subgrid_ind_ptr => se_subgrid_ind\n\n allocate (se_lgl_ind(2, 2, 0:se_numworkers-1), stat=allocate_status)\n if (allocate_status .ne. 0) then\n print *, ' Allocation error in subroutine SE_SUBGD_INDEX'\n stop\n end if\n se_lgl_ind_ptr => se_lgl_ind\n\n if (present(nrows_in)) then\n! if ((se_data_ori .eq. \"cr\") .or. (se_data_ori .eq. \"CR\")) then\n call se_generate_map (1, ncols_in, 1, nrows_in, \n & se_nprow, se_npcol, se_lgl_ind_ptr)\n! else\n! call se_generate_map (1, nrows_in, 1, ncols_in, \n! & se_nprow, se_npcol, se_lgl_ind_ptr)\n! end if\n\nC -- figure out the low and high column and row index of the\nC processor analysis (PA) grid, respectively\n\n! if ((se_data_ori .eq. \"cr\") .or. (se_data_ori .eq. \"CR\")) then\n call se_generate_map (begcol, endcol, begrow, endrow,\n & se_nprow, se_npcol, se_subgrid_ind_ptr, 0)\n! else\n! call se_generate_map (begrow, endrow, begcol, endcol,\n! & se_nprow, se_npcol, se_subgrid_ind_ptr, 0)\n! end if\n\n else\n\n se_lgl_ind = se_gl_ind\n\nC -- figure out the low and high column and row index of the\nC fine sub grid, respectively\n\n! if ((se_data_ori .eq. \"cr\") .or. (se_data_ori .eq. \"CR\")) then\n call se_generate_map (begcol, endcol, begrow, endrow,\n & se_nprow, se_npcol, se_subgrid_ind_ptr)\n! else\n! call se_generate_map (begrow, endrow, begcol, endcol,\n! & se_nprow, se_npcol, se_subgrid_ind_ptr)\n! end if\n end if\n\n if (se_myworker_pe .ge. 0) then\n do i = 0, se_numworkers-1\n intersect = .true.\n if ( (se_subgrid_ind(1,1,i) .gt. se_subgrid_ind(2,1,i))\n & .or. (se_subgrid_ind(1,2,i) .gt. se_subgrid_ind(2,2,i))\n & .or. (se_lgl_ind(1,1,se_myworker_pe) .gt. se_subgrid_ind(2,1,i))\n & .or. (se_lgl_ind(2,1,se_myworker_pe) .lt. se_subgrid_ind(1,1,i))) then\n intersect = .false.\n else\n if ( (se_lgl_ind(1,2,se_myworker_pe) .gt. se_subgrid_ind(2,2,i))\n & .or. (se_lgl_ind(2,2,se_myworker_pe) .lt. se_subgrid_ind(1,2,i))) \n & then\n intersect = .false.\n end if\n end if\n\n if (intersect) then\n se_subgrid_send_ind(1,1,i) = max(se_lgl_ind(1,1,se_myworker_pe),\n & se_subgrid_ind(1,1,i))\n & - se_lgl_ind(1,1,se_myworker_pe) + 1\n se_subgrid_send_ind(2,1,i) = min(se_lgl_ind(2,1,se_myworker_pe),\n & se_subgrid_ind(2,1,i))\n & - se_lgl_ind(1,1,se_myworker_pe) + 1\n se_subgrid_send_ind(1,2,i) = max(se_lgl_ind(1,2,se_myworker_pe),\n & se_subgrid_ind(1,2,i))\n & - se_lgl_ind(1,2,se_myworker_pe) + 1\n se_subgrid_send_ind(2,2,i) = min(se_lgl_ind(2,2,se_myworker_pe),\n & se_subgrid_ind(2,2,i))\n & - se_lgl_ind(1,2,se_myworker_pe) + 1\n se_subgrid_send(i) = i\n else\n se_subgrid_send(i) = -1\n end if\n end do\n\nC -- determine data is going to receive from which PE, and corresponding local\nC index\n\n do i = 0, se_numworkers-1\n intersect = .true.\n if ( (se_subgrid_ind(1,1,se_myworker_pe) .gt. \n & se_subgrid_ind(2,1,se_myworker_pe))\n & .or. (se_subgrid_ind(1,2,se_myworker_pe) .gt. \n & se_subgrid_ind(2,2,se_myworker_pe))\n & .or. (se_lgl_ind(1,1,i) .gt. se_subgrid_ind(2,1,se_myworker_pe))\n & .or. (se_lgl_ind(2,1,i) .lt. se_subgrid_ind(1,1,se_myworker_pe))) then\n intersect = .false.\n else\n if ( (se_lgl_ind(1,2,i) .gt. se_subgrid_ind(2,2,se_myworker_pe))\n & .or. (se_lgl_ind(2,2,i) .lt. se_subgrid_ind(1,2,se_myworker_pe))) \n & then\n intersect = .false.\n end if\n end if\n\n if (intersect) then\n se_subgrid_recv_ind(1,1,i) = max(se_lgl_ind(1,1,i),\n & se_subgrid_ind(1,1,se_myworker_pe))\n & - se_subgrid_ind(1,1,se_myworker_pe) + 1\n se_subgrid_recv_ind(2,1,i) = min(se_lgl_ind(2,1,i),\n & se_subgrid_ind(2,1,se_myworker_pe))\n & - se_subgrid_ind(1,1,se_myworker_pe) + 1\n se_subgrid_recv_ind(1,2,i) = max(se_lgl_ind(1,2,i),\n & se_subgrid_ind(1,2,se_myworker_pe))\n & - se_subgrid_ind(1,2,se_myworker_pe) + 1\n se_subgrid_recv_ind(2,2,i) = min(se_lgl_ind(2,2,i),\n & se_subgrid_ind(2,2,se_myworker_pe))\n & - se_subgrid_ind(1,2,se_myworker_pe) + 1\n se_subgrid_recv(i) = i\n else\n se_subgrid_recv(i) = -1\n end if\n end do\n\nC -- determine begining and ending row and column indexes, respectively\n\n my_begrow = 1\n my_begcol = 1\n my_endrow = se_subgrid_ind(2,1,se_myworker_pe) - \n & se_subgrid_ind(1,1,se_myworker_pe) + 1\n my_endcol = se_subgrid_ind(2,2,se_myworker_pe) - \n & se_subgrid_ind(1,2,se_myworker_pe) + 1\n\nC -- if row or column is not included in a processor, set column or row\nC outside the range, respectively\n\n if (my_endrow .eq. 0) then\n my_endcol = 0\n else if (my_endcol .eq. 0) then\n my_endrow = 0\n end if\n\n my_subgrid_rows = my_endrow - my_begrow + 1\n my_subgrid_cols = my_endcol - my_begcol + 1\n else\n my_begrow = -1\n my_begcol = -1\n my_endcol = -1\n my_endrow = -1\n my_subgrid_rows = -1\n my_subgrid_cols = -1\n end if\n\n deallocate (se_lgl_ind)\n\n return\n end subroutine se_subgrid_index_2\n\nC -----------------------------------------------------------------------------\nC Purpose:\nC\nC given starting point and ending point in terms of column, row, and level \nC number in original grid domain, determine a sub-grid mapping with \nC re-distribution of data for a 3-D data structure. The routine provides a \nC flexibility that the sub-grid has a different resolution indicates with \nC optional variables: nrows_in, ncols_in, and nlevs_in.\nC\nC Revision history:\nC\nC Orginal version: 10/26/00 by David Wong\nC 12/18/00 by Jeff Young\nC -- remove my_subgrid_levs to make backwardly compatible w/\nC CCTM code - can't decompose in this dimension now.\nC\nC 1/23/01 by David Wong\nC -- deallocate se_lgl_ind\nC\nC 12/04/02 by David Wong\nC -- modified the routine to accommodate worker and \nC I/O processors partition scheme\nC\nC 12/27/05 by David Wong\nC -- made the routine more robust to avoid IO processor\nC to access non-existence memory\nC\nC 08/24/11 by David Wong\nC -- removed se_ori_ext to eliminate data and geo orientation\nC\nC Parameter List:\nC\nC In : begrow -- starting row number in the original grid\nC endrow -- ending row number in the original grid\nC begcol -- starting column number in the original grid\nC endcol -- ending column number in the original grid\nC beglev -- starting level number in the original grid\nC endlev -- ending level number in the original grid\nC\nC In (optional) : nrows_in -- number of rows in the sub-grid\nC ncols_in -- number of columns in the sub-grid\nC nlevs_in -- number of levels in the sub-grid\nC\nC Out : my_begrow -- starting row number of the sub-grid in a processor\nC my_endrow -- end row number of the sub-grid in a processor\nC my_begcol -- starting column number of the sub-grid in a processor\nC my_endcol -- end column number of the sub-grid in a processor\nC my_beglev -- starting level number of the sub-grid in a processor\nC my_endlev -- end level number of the sub-grid in a processor\nC my_subgrid_rows -- number of sub-grid rows in a processor\nC my_subgrid_cols -- number of sub-grid columns in a processor\nC\nC my_subgrid_levs -- number of sub-grid levels in a processor\nC ^^^^^^^^^^^^^^^ eliminated for now, maybe implement later\nC\nC Local Variable:\nC\nC intersect -- intersection indicator\nC se_lgl_ind -- local global index\nC se_lgl_ind_ptr -- local global index pointer\nC i -- loop index\nC allocate_status -- memory allocation error indicator\nC\nC -----------------------------------------------------------------------------\n\n subroutine se_subgrid_index_3\n & ( begrow, endrow, begcol, endcol, beglev, endlev,\n & my_begrow, my_endrow, my_begcol, my_endcol, my_beglev, my_endlev,\n! & my_subgrid_rows, my_subgrid_cols, my_subgrid_levs, \n & my_subgrid_rows, my_subgrid_cols, \n & nrows_in, ncols_in, nlevs_in )\n\n use se_pe_info_ext\n use se_domain_info_ext\n use se_subgrid_info_ext\n! use se_ori_ext\n use se_internal_util_module\n\n implicit none\n\n integer, intent(in) :: begrow, endrow, begcol, endcol, beglev, endlev\n integer, intent(out) :: my_begrow, my_endrow, my_begcol, my_endcol\n integer, intent(out) :: my_beglev, my_endlev\n integer, intent(out) :: my_subgrid_rows, my_subgrid_cols\n! & my_subgrid_levs\n integer, optional, intent(in) :: nrows_in, ncols_in, nlevs_in\n\n integer :: i, allocate_status\n\n integer, allocatable, target :: se_lgl_ind(:,:,:)\n integer, pointer :: se_lgl_ind_ptr(:,:,:)\n\n logical :: intersect\n\nC -- allocate data\n allocate (se_subgrid_send_ind(2, 4, 0:se_numworkers-1), \n & stat=allocate_status)\n if (allocate_status .ne. 0) then\n print *, ' Subroutine SE_SUBGD_INDEX: ',\n & ' allocation erorr in se_subgrid_send_ind'\n stop\n end if\n\n allocate (se_subgrid_recv_ind(2, 4, 0:se_numworkers-1), \n & stat=allocate_status)\n if (allocate_status .ne. 0) then\n print *, ' Subroutine SE_SUBGD_INDEX: ',\n & ' allocation erorr in se_subgrid_recv_ind'\n stop\n end if\n\n allocate (se_subgrid_send(0:se_numworkers-1), stat=allocate_status)\n if (allocate_status .ne. 0) then\n print *, ' Subroutine SE_SUBGD_INDEX: ',\n & 'allocation erorr in se_subgrid_send'\n stop\n end if\n\n allocate (se_subgrid_recv(0:se_numworkers-1), stat=allocate_status)\n if (allocate_status .ne. 0) then\n print *, ' Subroutine SE_SUBGD_INDEX: ',\n & 'allocation erorr in se_subgrid_recv'\n stop\n end if\n\n se_subgrid_send_ind_ptr => se_subgrid_send_ind\n se_subgrid_recv_ind_ptr => se_subgrid_recv_ind\n se_subgrid_send_ptr => se_subgrid_send\n se_subgrid_recv_ptr => se_subgrid_recv\n\nC -- allocate data\n allocate (se_subgrid_ind(2, 2, 0:se_numworkers-1), stat=allocate_status)\n if (allocate_status .ne. 0) then\n print *, ' Allocation error in subroutine SE_SUBGD_INDEX'\n stop\n end if\n\n se_subgrid_ind_ptr => se_subgrid_ind\n\n allocate (se_lgl_ind(2, 2, 0:se_numworkers-1), stat=allocate_status)\n if (allocate_status .ne. 0) then\n print *, ' Allocation error in subroutine SE_SUBGD_INDEX'\n stop\n end if\n se_lgl_ind_ptr => se_lgl_ind\n\n if (present(nrows_in)) then\n! if ((se_data_ori .eq. \"cr\") .or. (se_data_ori .eq. \"CR\")) then\n call se_generate_map (1, ncols_in, 1, nrows_in, \n & se_nprow, se_npcol, se_lgl_ind_ptr)\n! else\n! call se_generate_map (1, nrows_in, 1, ncols_in, \n! & se_nprow, se_npcol, se_lgl_ind_ptr)\n! end if\n\nC -- figure out the low and high column and row index of the\nC processor analysis (PA) grid, respectively\n\n! if ((se_data_ori .eq. \"cr\") .or. (se_data_ori .eq. \"CR\")) then\n call se_generate_map (begcol, endcol, begrow, endrow,\n & se_nprow, se_npcol, se_subgrid_ind_ptr, 0)\n! else\n! call se_generate_map (begrow, endrow, begcol, endcol,\n! & se_nprow, se_npcol, se_subgrid_ind_ptr, 0)\n! end if\n\n else\n\n se_lgl_ind = se_gl_ind\n\nC -- figure out the low and high column and row index of the\nC fine sub grid, respectively\n\n! if ((se_data_ori .eq. \"cr\") .or. (se_data_ori .eq. \"CR\")) then\n call se_generate_map (begcol, endcol, begrow, endrow,\n & se_nprow, se_npcol, se_subgrid_ind_ptr)\n! else\n! call se_generate_map (begrow, endrow, begcol, endcol,\n! & se_nprow, se_npcol, se_subgrid_ind_ptr)\n! end if\n end if\n\n if (se_myworker_pe .ge. 0) then\n do i = 0, se_numworkers-1\n intersect = .true.\n if ( (se_subgrid_ind(1,1,i) .gt. se_subgrid_ind(2,1,i))\n & .or. (se_subgrid_ind(1,2,i) .gt. se_subgrid_ind(2,2,i))\n & .or. (se_lgl_ind(1,1,se_myworker_pe) .gt. se_subgrid_ind(2,1,i))\n & .or. (se_lgl_ind(2,1,se_myworker_pe) .lt. se_subgrid_ind(1,1,i))) then\n intersect = .false.\n else\n if ( (se_lgl_ind(1,2,se_myworker_pe) .gt. se_subgrid_ind(2,2,i))\n & .or. (se_lgl_ind(2,2,se_myworker_pe) .lt. se_subgrid_ind(1,2,i))) \n & then\n intersect = .false.\n end if\n end if\n\n if (intersect) then\n se_subgrid_send_ind(1,1,i) = max(se_lgl_ind(1,1,se_myworker_pe),\n & se_subgrid_ind(1,1,i))\n & - se_lgl_ind(1,1,se_myworker_pe) + 1\n se_subgrid_send_ind(2,1,i) = min(se_lgl_ind(2,1,se_myworker_pe),\n & se_subgrid_ind(2,1,i))\n & - se_lgl_ind(1,1,se_myworker_pe) + 1\n se_subgrid_send_ind(1,2,i) = max(se_lgl_ind(1,2,se_myworker_pe),\n & se_subgrid_ind(1,2,i))\n & - se_lgl_ind(1,2,se_myworker_pe) + 1\n se_subgrid_send_ind(2,2,i) = min(se_lgl_ind(2,2,se_myworker_pe),\n & se_subgrid_ind(2,2,i))\n & - se_lgl_ind(1,2,se_myworker_pe) + 1\n se_subgrid_send(i) = i\n else\n se_subgrid_send(i) = -1\n end if\n end do\n\nC -- determine data is going to receive from which PE, and corresponding local\nC index\n\n do i = 0, se_numworkers-1\n intersect = .true.\n if ( (se_subgrid_ind(1,1,se_myworker_pe) .gt. \n & se_subgrid_ind(2,1,se_myworker_pe))\n & .or. (se_subgrid_ind(1,2,se_myworker_pe) .gt. \n & se_subgrid_ind(2,2,se_myworker_pe))\n & .or. (se_lgl_ind(1,1,i) .gt. se_subgrid_ind(2,1,se_myworker_pe))\n & .or. (se_lgl_ind(2,1,i) .lt. se_subgrid_ind(1,1,se_myworker_pe))) then\n intersect = .false.\n else\n if ( (se_lgl_ind(1,2,i) .gt. se_subgrid_ind(2,2,se_myworker_pe))\n & .or. (se_lgl_ind(2,2,i) .lt. se_subgrid_ind(1,2,se_myworker_pe))) \n & then\n intersect = .false.\n end if\n end if\n\n if (intersect) then\n se_subgrid_recv_ind(1,1,i) = max(se_lgl_ind(1,1,i),\n & se_subgrid_ind(1,1,se_myworker_pe))\n & - se_subgrid_ind(1,1,se_myworker_pe) + 1\n se_subgrid_recv_ind(2,1,i) = min(se_lgl_ind(2,1,i),\n & se_subgrid_ind(2,1,se_myworker_pe))\n & - se_subgrid_ind(1,1,se_myworker_pe) + 1\n se_subgrid_recv_ind(1,2,i) = max(se_lgl_ind(1,2,i),\n & se_subgrid_ind(1,2,se_myworker_pe))\n & - se_subgrid_ind(1,2,se_myworker_pe) + 1\n se_subgrid_recv_ind(2,2,i) = min(se_lgl_ind(2,2,i),\n & se_subgrid_ind(2,2,se_myworker_pe))\n & - se_subgrid_ind(1,2,se_myworker_pe) + 1\n se_subgrid_recv(i) = i\n else\n se_subgrid_recv(i) = -1\n end if\n end do\n\nC -- determine begining and ending row and column indexes, respectively\n\n my_begrow = 1\n my_begcol = 1\n my_endrow = se_subgrid_ind(2,1,se_myworker_pe) - \n & se_subgrid_ind(1,1,se_myworker_pe) + 1\n my_endcol = se_subgrid_ind(2,2,se_myworker_pe) - \n & se_subgrid_ind(1,2,se_myworker_pe) + 1\n\nC -- if row or column is not included in a processor, set column or row\nC outside the range, respectively\n\n if (my_endrow .eq. 0) then\n my_endcol = 0\n else if (my_endcol .eq. 0) then\n my_endrow = 0\n end if\n\n my_subgrid_rows = my_endrow - my_begrow + 1\n my_subgrid_cols = my_endcol - my_begcol + 1\n\n my_beglev = beglev\n my_endlev = endlev\n! my_subgrid_levs = my_endlev - my_beglev + 1\n\n if (present(nrows_in)) then\n se_my_subgrid_beglev = 1\n se_my_subgrid_endlev = se_my_nlays\n else\n se_my_subgrid_beglev = beglev\n se_my_subgrid_endlev = endlev\n end if\nc my_subgrid_levs = se_my_subgrid_endlev - se_my_subgrid_beglev + 1\n else\n my_begrow = -1\n my_begcol = -1\n my_endrow = -1\n my_endcol = -1\n my_beglev = -1\n my_endlev = -1\n my_subgrid_rows = -1\n my_subgrid_cols = -1\nc my_subgrid_levs = -1\n end if\n\n! print*, ' myworker_pe: ', se_myworker_pe\n! do i = 0, se_numworkers-1\n! print*, ' i, se_lgl_ind( 1,1,i ): ', i, se_lgl_ind( 1,1,i )\n! print*, ' i, se_lgl_ind( 2,1,i ): ', i, se_lgl_ind( 2,1,i )\n! print*, ' i, se_lgl_ind( 1,2,i ): ', i, se_lgl_ind( 1,2,i )\n! print*, ' i, se_lgl_ind( 2,2,i ): ', i, se_lgl_ind( 2,2,i )\n! print*, ' i, se_subgrid_ind( 1,1,i ): ', i, se_subgrid_ind( 1,1,i )\n! print*, ' i, se_subgrid_ind( 2,1,i ): ', i, se_subgrid_ind( 2,1,i )\n! print*, ' i, se_subgrid_ind( 1,2,i ): ', i, se_subgrid_ind( 1,2,i )\n! print*, ' i, se_subgrid_ind( 2,2,i ): ', i, se_subgrid_ind( 2,2,i )\n! print*, ' i, se_subgrid_send( i ): ', i, se_subgrid_send( i )\n! print*, ' i, se_subgrid_recv( i ): ', i, se_subgrid_recv( i )\n! print*, ' i, se_subgrid_send_ind( 1,1,i ): ', i, se_subgrid_send_ind( 1,1,i )\n! print*, ' i, se_subgrid_send_ind( 2,1,i ): ', i, se_subgrid_send_ind( 2,1,i )\n! print*, ' i, se_subgrid_send_ind( 1,2,i ): ', i, se_subgrid_send_ind( 1,2,i )\n! print*, ' i, se_subgrid_send_ind( 2,2,i ): ', i, se_subgrid_send_ind( 2,2,i )\n! print*, ' i, se_subgrid_recv_ind( 1,1,i ): ', i, se_subgrid_recv_ind( 1,1,i )\n! print*, ' i, se_subgrid_recv_ind( 2,1,i ): ', i, se_subgrid_recv_ind( 2,1,i )\n! print*, ' i, se_subgrid_recv_ind( 1,2,i ): ', i, se_subgrid_recv_ind( 1,2,i )\n! print*, ' i, se_subgrid_recv_ind( 2,2,i ): ', i, se_subgrid_recv_ind( 2,2,i )\n! end do\n\n deallocate (se_lgl_ind)\n\n return\n end subroutine se_subgrid_index_3\n\nC -----------------------------------------------------------------------------\nC Purpose:\nC\nC given starting point and ending point in terms of column and row number in\nC original grid domain, determine a sub-grid mapping without re-distribution of\nC data for a 2-D data structure.\nC\nC Revision history:\nC\nC Orginal version: 10/26/00 by David Wong\nC\nC 12/04/02 by David Wong\nC -- modified the routine to accommodate worker and \nC I/O processors partition scheme\nC\nC 08/24/11 by David Wong\nC -- removed se_ori_ext to eliminate data and geo orientation\nC\nC Parameter List:\nC\nC In : begrow -- starting row number in the original grid\nC endrow -- ending row number in the original grid\nC begcol -- starting column number in the original grid\nC endcol -- ending column number in the original grid\nC flag -- an indicator of no re-distribution\nC\nC Out : my_begrow -- starting row number of the sub-grid in a processor\nC my_endrow -- end row number of the sub-grid in a processor\nC my_begcol -- starting column number of the sub-grid in a processor\nC my_endcol -- end column number of the sub-grid in a processor\nC\nC Local Variable:\nC\nC tpe -- temporary processor number\nC mpe -- processor number form by modulus arithmetic\nC dpe -- processor number form by integer division arithmetic\nC col_ind -- column index\nC row_ind -- row index\nC loc_begrow -- local starting row number\nC loc_endrow -- local ending row number\nC loc_begcol -- local starting column number\nC loc_endcol -- local ending column number\nC loc_my_begrow -- local starting row number in a processor\nC loc_my_endrow -- local ending row number in a processor\nC loc_my_begcol -- local starting column number in a processor\nC loc_my_endcol -- local ending column number in a processor\nC\nC -----------------------------------------------------------------------------\n\n subroutine se_subgrid_index_n2 (begrow, endrow, begcol, endcol, \n & my_begrow, my_endrow, \n & my_begcol, my_endcol, flag)\n\n use se_pe_info_ext\n! use se_ori_ext\n use se_domain_info_ext\n\n implicit none\n\n integer, intent(in) :: begrow, endrow, begcol, endcol\n integer, intent(out) :: my_begrow, my_endrow, my_begcol, my_endcol\n character, intent(in) :: flag\n\n integer :: col_ind(2), row_ind(2)\n integer :: tpe, mpe, dpe\n integer :: loc_my_begrow, loc_my_endrow,\n & loc_my_begcol, loc_my_endcol\n integer :: loc_begrow, loc_endrow, loc_begcol, loc_endcol\n\n! if ((se_data_ori .eq. \"cr\") .or. (se_data_ori .eq. \"CR\")) then\n loc_begcol = begrow\n loc_endcol = endrow\n loc_begrow = begcol\n loc_endrow = endcol\n! else\n! loc_begcol = begcol\n! loc_endcol = endcol\n! loc_begrow = begrow\n! loc_endrow = endrow\n! end if\n\nC -- figure out the low and high column index of the original grid\n\n tpe = mod(se_gl_ncols, se_npcol)\n mpe = mod(se_myworker_pe, se_npcol)\n col_ind(1) = 1 + min(mpe, tpe) * se_ncols + max(mpe-tpe,0) * se_my_ncols\n col_ind(2) = min(mpe+1, tpe) * se_ncols + max(mpe-tpe+1,0) * se_my_ncols\nC -- determine the mapping of column of the PA grid to each processor\n\n if ((col_ind(2) .lt. loc_begcol) .or. (col_ind(1) .gt. loc_endcol)) then\n loc_my_begcol = 0\n loc_my_endcol = -1\n else if ((col_ind(1) .lt. loc_begcol) .and. (loc_begcol .le. col_ind(2))\n & .and. (loc_endcol .gt. col_ind(2))) then\n loc_my_begcol = loc_begcol - col_ind(1) + 1\n loc_my_endcol = col_ind(2) - col_ind(1) + 1\n else if ((col_ind(1) .le. loc_endcol) .and. (loc_endcol .lt. col_ind(2))\n & .and. (loc_begcol .lt. col_ind(1))) then\n loc_my_begcol = 1\n loc_my_endcol = loc_endcol - col_ind(1) + 1\n else\n loc_my_begcol = max(loc_begcol-col_ind(1)+1, 1)\n loc_my_endcol = loc_my_begcol + min(col_ind(2)-col_ind(1),\n & loc_endcol-loc_begcol)\n end if\n\nC -- figure out the low and high row index of the original grid\n\n tpe = mod(se_gl_nrows, se_nprow)\n dpe = se_myworker_pe / se_npcol\n row_ind(1) = 1 + min(dpe, tpe) * se_nrows + max(dpe-tpe,0) * se_my_nrows\n row_ind(2) = min(dpe+1, tpe) * se_nrows + max(dpe-tpe+1,0) * se_my_nrows\nC -- determine the mapping of row of the PA grid to each processor\n\n if ((row_ind(2) .lt. loc_begrow) .or. (row_ind(1) .gt. loc_endrow)) then\n loc_my_begrow = 0\n loc_my_endrow = -1\n else if ((row_ind(1) .lt. loc_begrow) .and. (loc_begrow .le. row_ind(2))\n & .and. (loc_endrow .gt. row_ind(2))) then\n loc_my_begrow = loc_begrow - row_ind(1) + 1\n loc_my_endrow = row_ind(2) - row_ind(1) + 1\n else if ((row_ind(1) .le. loc_endrow) .and. (loc_endrow .lt. row_ind(2))\n & .and. (loc_begrow .lt. row_ind(1))) then\n loc_my_begrow = 1\n loc_my_endrow = loc_endrow - row_ind(1) + 1\n else\n loc_my_begrow = max(loc_begrow-row_ind(1)+1, 1)\n loc_my_endrow = loc_my_begrow + min(row_ind(2)-row_ind(1),\n & loc_endrow-loc_begrow)\n end if\n\nC -- if row or column is not within the PA grid dimensions, set column or row\nC outside the range, respectively\n\n if (loc_my_begrow .eq. 0) then\n loc_my_begcol = 0\n loc_my_endcol = -1\n else if (loc_my_begcol .eq. 0) then\n loc_my_begrow = 0\n loc_my_endrow = -1\n end if\n\n! if ((se_data_ori .eq. \"cr\") .or. (se_data_ori .eq. \"CR\")) then\n my_begrow = loc_my_begcol\n my_endrow = loc_my_endcol\n my_begcol = loc_my_begrow\n my_endcol = loc_my_endrow\n! else\n! my_begrow = loc_my_begrow\n! my_endrow = loc_my_endrow\n! my_begcol = loc_my_begcol\n! my_endcol = loc_my_endcol\n! end if\n\n return\n end subroutine se_subgrid_index_n2\n\nC -----------------------------------------------------------------------------\nC Purpose:\nC\nC given starting point and ending point in terms of column, row, and level \nC number in original grid domain, determine a sub-grid mapping without \nC re-distribution of data for a 3-D data structure.\nC\nC Revision history:\nC\nC Orginal version: 10/26/00 by David Wong\nC\nC 12/04/02 by David Wong\nC -- modified the routine to accommodate worker and \nC I/O processors partition scheme\nC\nC 08/24/11 by David Wong\nC -- removed se_ori_ext to eliminate data and geo orientation\nC\nC Parameter List:\nC\nC In : begrow -- starting row number in the original grid\nC endrow -- ending row number in the original grid\nC begcol -- starting column number in the original grid\nC endcol -- ending column number in the original grid\nC beglev -- starting level number in the original grid\nC endlev -- ending level number in the original grid\nC flag -- an indicator of no re-distribution\nC\nC Out : my_begrow -- starting row number of the sub-grid in a processor\nC my_endrow -- end row number of the sub-grid in a processor\nC my_begcol -- starting column number of the sub-grid in a processor\nC my_endcol -- end column number of the sub-grid in a processor\nC my_beglev -- starting level number of the sub-grid in a processor\nC my_endlev -- end level number of the sub-grid in a processor\nC\nC Local Variable:\nC\nC tpe -- temporary processor number\nC mpe -- processor number form by modulus arithmetic\nC dpe -- processor number form by integer division arithmetic\nC col_ind -- column index\nC row_ind -- row index\nC loc_begrow -- local starting row number\nC loc_endrow -- local ending row number\nC loc_begcol -- local starting column number\nC loc_endcol -- local ending column number\nC loc_my_begrow -- local starting row number in a processor\nC loc_my_endrow -- local ending row number in a processor\nC loc_my_begcol -- local starting column number in a processor\nC loc_my_endcol -- local ending column number in a processor\nC\nC -----------------------------------------------------------------------------\n\n subroutine se_subgrid_index_n3 (begrow, endrow, begcol, endcol, \n & beglev, endlev,\n & my_begrow, my_endrow, \n & my_begcol, my_endcol, \n & my_beglev, my_endlev, flag)\n\n use se_pe_info_ext\n! use se_ori_ext\n use se_domain_info_ext\n\n implicit none\n\n integer, intent(in) :: begrow, endrow, begcol, endcol, beglev, endlev\n integer, intent(out) :: my_begrow, my_endrow, my_begcol,\n & my_endcol, my_beglev, my_endlev\n character, intent(in) :: flag\n\n integer :: col_ind(2), row_ind(2)\n integer :: tpe, mpe, dpe\n integer :: loc_my_begrow, loc_my_endrow,\n & loc_my_begcol, loc_my_endcol\n integer :: loc_begrow, loc_endrow, loc_begcol, loc_endcol\n\n! if ((se_data_ori .eq. \"cr\") .or. (se_data_ori .eq. \"CR\")) then\n loc_begcol = begrow\n loc_endcol = endrow\n loc_begrow = begcol\n loc_endrow = endcol\n! else\n! loc_begcol = begcol\n! loc_endcol = endcol\n! loc_begrow = begrow\n! loc_endrow = endrow\n! end if\n\nC -- figure out the low and high column index of the original grid\n\n tpe = mod(se_gl_ncols, se_npcol)\n mpe = mod(se_myworker_pe, se_npcol)\n col_ind(1) = 1 + min(mpe, tpe) * se_ncols + max(mpe-tpe,0) * se_my_ncols\n col_ind(2) = min(mpe+1, tpe) * se_ncols + max(mpe-tpe+1,0) * se_my_ncols\nC -- determine the mapping of column of the PA grid to each processor\n\n if ((col_ind(2) .lt. loc_begcol) .or. (col_ind(1) .gt. loc_endcol)) then\n loc_my_begcol = 0\n loc_my_endcol = -1\n else if ((col_ind(1) .lt. loc_begcol) .and. (loc_begcol .le. col_ind(2))\n & .and. (loc_endcol .gt. col_ind(2))) then\n loc_my_begcol = loc_begcol - col_ind(1) + 1\n loc_my_endcol = col_ind(2) - col_ind(1) + 1\n else if ((col_ind(1) .le. loc_endcol) .and. (loc_endcol .lt. col_ind(2))\n & .and. (loc_begcol .lt. col_ind(1))) then\n loc_my_begcol = 1\n loc_my_endcol = loc_endcol - col_ind(1) + 1\n else\n loc_my_begcol = max(loc_begcol-col_ind(1)+1, 1)\n loc_my_endcol = loc_my_begcol + min(col_ind(2)-col_ind(1),\n & loc_endcol-loc_begcol)\n end if\n\nC -- figure out the low and high row index of the original grid\n\n tpe = mod(se_gl_nrows, se_nprow)\n dpe = se_myworker_pe / se_npcol\n row_ind(1) = 1 + min(dpe, tpe) * se_nrows + max(dpe-tpe,0) * se_my_nrows\n row_ind(2) = min(dpe+1, tpe) * se_nrows + max(dpe-tpe+1,0) * se_my_nrows\nC -- determine the mapping of row of the PA grid to each processor\n\n if ((row_ind(2) .lt. loc_begrow) .or. (row_ind(1) .gt. loc_endrow)) then\n loc_my_begrow = 0\n loc_my_endrow = -1\n else if ((row_ind(1) .lt. loc_begrow) .and. (loc_begrow .le. row_ind(2))\n & .and. (loc_endrow .gt. row_ind(2))) then\n loc_my_begrow = loc_begrow - row_ind(1) + 1\n loc_my_endrow = row_ind(2) - row_ind(1) + 1\n else if ((row_ind(1) .le. loc_endrow) .and. (loc_endrow .lt. row_ind(2))\n & .and. (loc_begrow .lt. row_ind(1))) then\n loc_my_begrow = 1\n loc_my_endrow = loc_endrow - row_ind(1) + 1\n else\n loc_my_begrow = max(loc_begrow-row_ind(1)+1, 1)\n loc_my_endrow = loc_my_begrow + min(row_ind(2)-row_ind(1),\n & loc_endrow-loc_begrow)\n end if\n\nC -- if row or column is not within the PA grid dimensions, set column or row\nC outside the range, respectively\n\n if (loc_my_begrow .eq. 0) then\n loc_my_begcol = 0\n loc_my_endcol = -1\n else if (loc_my_begcol .eq. 0) then\n loc_my_begrow = 0\n loc_my_endrow = -1\n end if\n\n! if ((se_data_ori .eq. \"cr\") .or. (se_data_ori .eq. \"CR\")) then\n my_begrow = loc_my_begcol\n my_endrow = loc_my_endcol\n my_begcol = loc_my_begrow\n my_endcol = loc_my_endrow\n! else\n! my_begrow = loc_my_begrow\n! my_endrow = loc_my_endrow\n! my_begcol = loc_my_begcol\n! my_endcol = loc_my_endcol\n! end if\n\n my_beglev = beglev\n my_endlev = endlev\n\n return\n end subroutine se_subgrid_index_n3\n\nC -----------------------------------------------------------------------------\nC Purpose:\nC\nC synchronizes the value of var in all the processors according to the value\nC in processor pe\nC\nC Revision history:\nC\nC Orginal version: 12/04/01 by David Wong\nC\nC 12/04/02 by David Wong\nC -- modified the routine to accommodate worker and \nC I/O processors partition scheme\nC\nC Parameter List:\nC\nC InOut : var -- logical value\nC In : pe -- processor number\nC -----------------------------------------------------------------------------\n\n subroutine se_in_syn (var, pe)\n\n use se_pe_info_ext\n\n implicit none\n\n logical, intent(inout) :: var\n integer, intent(in) :: pe\n\n integer :: error\n \n include \"mpif.h\"\n\n if (pe .ge. 0) then\n call mpi_bcast (var, 1, mpi_logical, pe, se_worker_comm, error)\n end if\n\n return\n end subroutine se_in_syn\n\nC -----------------------------------------------------------------------------\nC Purpose:\nC\nC synchronizes the value of var in all the processors according to the value\nC in processor pe\nC\nC Revision history:\nC\nC Orginal version: 12/04/01 by David Wong\nC\nC 12/04/02 by David Wong\nC -- modified the routine to accommodate worker and \nC I/O processors partition scheme\nC\nC Parameter List:\nC\nC InOut : var -- logical value\nC In : pe -- processor number\nC -----------------------------------------------------------------------------\n\n subroutine se_collect (ncols, nrows, ncols_pe, nrows_pe)\n\n use se_pe_info_ext\n\n implicit none\n\n include \"mpif.h\"\n\n integer, intent(inout) :: ncols, nrows\n integer, intent(out) :: ncols_pe(:), nrows_pe(:)\n\n integer :: sdata(2), rdata(2)\n integer :: i, error, status(MPI_STATUS_SIZE)\n\n if (se_my_pe .eq. 0) then\n ncols_pe = 0\n nrows_pe = 0\n do i = 1, se_numprocs-1\n call mpi_recv (rdata, 2, mpi_integer, i,\n & i, se_world_comm, status, error)\n ncols_pe(i+1) = rdata(1)\n nrows_pe(i+1) = rdata(2)\n end do\n ncols = maxval(ncols_pe)\n nrows = maxval(nrows_pe)\n else\n sdata(1) = ncols\n sdata(2) = nrows\n call mpi_send (sdata, 2, mpi_integer, 0, se_my_pe, se_world_comm, error)\n end if\n \n end subroutine se_collect\n\n end module se_util_module\n" }, { "path": "CCTM/src/aero/aero6/AEROMET_DATA.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/CCTM/src/aero/aero5/AEROMET_DATA.F,v 1.6 2012/01/19 13:10:03 yoj Exp $\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n Module aeromet_data\n\nC Some parameters and meteorological variables required in aerosol\nC processing.\n\nC Revision History:\nC First version was coded in April 2010 by Steve Howard with\nC Prakash Bhave, Jeff Young, and Sergey Napelenok.\nC\nC SH 03/10/11 renamed file and module from MET_DATA to AEROMET_DATA\nC----------------------------------------------------------------------\n\n Implicit None\n\nC Fundamental constants\n Include SUBST_CONST ! common constants\n\n Real( 8 ), Parameter :: f6dpi = 6.0D0 / dpi\n Real, Parameter :: f6pi = 6.0 / pi\n Real( 8 ), Parameter :: dpi6 = dpi / 6.0D0\n Real, Parameter :: pi6 = pi / 6.0\n Real( 8 ), Parameter :: boltzmann = drgasuniv / davo ! [ J/K ]\n\nC Concentration lower limit used for gas species\n Real, Parameter :: min_gasconc = 1.0E-30 ! [ ug/m^3 ]\n Real, Parameter :: inv_mwair = 1.0E3 / mwair ! [ 1/g ]\n\nC Meteorological variables \n Real :: airtemp ! air temp [ K ] :from MET_CRO_3D File\n Real :: srftemp ! 2-meter temp [ K ] :from MET_CRO_2D File\n Real :: airpres ! air pressure [ Pa]\n Real :: airdens ! air density [ kg/m^3]\n Real :: airRH ! fractional relative humidity\n Real :: airQV ! water vapor mass mixing ratio [ kg_H2O/kg_air ]\n Real :: H2OsatVP ! saturation water vapor pressure [ Pa ]\n Real :: H2OVP ! ambient water vapor pressure [ Pa ]\n Real :: cfrac ! cloud fraction\n Real :: dz ! grid cell height between layer faces\n Real :: zh ! grid cell midpoint height (mass-weighted)\n Real :: pv ! potential vorticity in grid cell\n\n End Module aeromet_data\n" }, { "path": "CCTM/src/aero/aero6/AEROSOL_CHEMISTRY.F", "content": "!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !!\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n MODULE AEROSOL_CHEMISTRY\n!-----------------------------------------------------------------------\n! Revision history\n!\n! 26 Sep 14 H. Pye: Heterogeneous uptake of IEPOX added \n! 27 Feb 15 J. Bash:\n! 17 March 15 D. Luecken: Added NTR heterogeneous hydrolysis as per\n! the CB6r3 chemical mechanism used by the Environ CAMX model consult \n! references 8 and 9., \n! 22 Feb 16 B.Hutzell: Added Flag stating whether module is initialized\n! 24 March 16 D. Luecken: removed the references to F_NTR2_ON so that all \n! nitrates have the potential to partition to aerosol. \n! 24 Mar 16 G. Sarwar: Added heterogeneous uptake of BRONO2 on aerosols\n! 10 May 16 H. Pye: Merged with AEROSOL_CHEMISTRY.F from aero6i\n! Size of NAMES_AERO_RATES reduced to match RXN_DATA_MODULE\n! May 16 H. Pye, B. Murphy: Updated treatment of aerosol moments\n! 23 May 16 D. Wong: Allow for calculation for APMDIAG even if PMDIAG is turned off.\n! 10 Jun 16 B.Hutzell: reduce occurrences of numerical underflow\n! 17 Jul 18 G. Sarwar: Added heterogeneous uptakes of CLNO3, bromine and iodine species\n! 01 Feb 19 David Wong: removed MY_N clauses\n! 03 Apr 19 H. Pye: Updated IEPOX to consume inorganic sulfate when OS are formed\n! 11 Dec 20 G. Sarwar: Removed unused uptake cofficients and added few uptake cofficients for halogen species\n! 23 Jun 21 G. Sarwar: Replaced CB6R3M with CB6R5M\n!-----------------------------------------------------------------------\n\n IMPLICIT NONE\n \n REAL( 8 ), ALLOCATABLE :: KHETERO( :,:,:,: ) ! heterogeneous rx rates, \n ! [ppm**(RXN Order-1)*min]**-1\n \n PUBLIC KHETERO, HETCHEM_RATES\n \n PRIVATE \n\n INTEGER, PARAMETER :: NUMB_AERO_RATES = 55\n \n CHARACTER( 16 ), PARAMETER :: NAMES_AERO_RATES( NUMB_AERO_RATES ) = \n & (/ 'HETERO_N2O5IJ ', 'HETERO_N2O5K ', \n & 'HETERO_N2O5IJY ', 'HETERO_N2O5KY ', \n & 'HETERO_NO2 ', 'HETERO_H2NO3PAIJ',\n & 'HETERO_H2NO3PBIJ', 'HETERO_H2NO3PAK ',\n & 'HETERO_H2NO3PBK ', 'HETERO_H2NO3PAI ',\n & 'HETERO_H2NO3PBI ', 'HETERO_H2NO3PAJ ',\n & 'HETERO_H2NO3PBJ ', 'HETERO_N2O5I ',\n & 'HETERO_N2O5J ', 'HETERO_PNCOMLI ',\n & 'HETERO_PNCOMLJ ', 'HETERO_IEPOX ',\n & 'HETERO_TETROL ', 'HETERO_IEPOXOS ',\n & 'HETERO_TETROLDIM', 'HETERO_IEPOXOSDI',\n & 'HETERO_IMAE ', 'HETERO_2MG ',\n & 'HETERO_IMAEOS ', 'HETERO_NO3 ',\n & 'HETERO_GLY ', 'HETERO_MGLY ',\n & 'HETERO_NTR2 ', 'HETERO_CLNO3_WAI',\n & 'HETERO_CLNO3_WAJ', 'HETERO_HBR_BRJ ',\n & 'HETERO_BRNO3_WAI', 'HETERO_BRNO3_WAJ',\n & 'HETERO_HOBR_CLJ ', 'HETERO_HOBR_BRJ ',\n & 'HETERO_BRNO3_CLJ', 'HETERO_BRNO3_BRJ',\n & 'HETERO_BRNO2_CLJ', 'HETERO_BRNO2_BRJ',\n & 'HETERO_I2O2_AI ', 'HETERO_I2O2_AJ ',\n & 'HETERO_I2O3_AI ', 'HETERO_I2O3_AJ ',\n & 'HETERO_I2O4_AI ', 'HETERO_I2O4_AJ ',\n & 'HETERO_INO3_CLJ ', 'HETERO_INO3_BRJ ',\n & 'HETERO_INO2_CLJ ', 'HETERO_INO2_BRJ ',\n & 'HETERO_HOI_CLJ ', 'HETERO_HOI_BRJ ',\n & 'HETERO_ISO3NOSJ ', 'HETERO_ISO3OSJ ',\n & 'HETERO_HO2 '/)\n\n INTEGER, PARAMETER :: IA_N2O5IJ = 1\n INTEGER, PARAMETER :: IA_N2O5K = 2\n INTEGER, PARAMETER :: IA_N2O5IJY = 3\n INTEGER, PARAMETER :: IA_N2O5KY = 4\n INTEGER, PARAMETER :: IA_NO2 = 5\n INTEGER, PARAMETER :: IA_H2NO3PAIJ = 6\n INTEGER, PARAMETER :: IA_H2NO3PBIJ = 7\n INTEGER, PARAMETER :: IA_H2NO3PAK = 8\n INTEGER, PARAMETER :: IA_H2NO3PBK = 9\n INTEGER, PARAMETER :: IA_H2NO3PAI = 10\n INTEGER, PARAMETER :: IA_H2NO3PBI = 11\n INTEGER, PARAMETER :: IA_H2NO3PAJ = 12\n INTEGER, PARAMETER :: IA_H2NO3PBJ = 13\n INTEGER, PARAMETER :: IA_N2O5I = 14\n INTEGER, PARAMETER :: IA_N2O5J = 15\n INTEGER, PARAMETER :: IA_PNCOMLI = 16\n INTEGER, PARAMETER :: IA_PNCOMLJ = 17\n INTEGER, PARAMETER :: IA_IEPOX = 18\n INTEGER, PARAMETER :: IA_TETROL = 19\n INTEGER, PARAMETER :: IA_IEPOXOS = 20\n INTEGER, PARAMETER :: IA_TETROLDIM = 21\n INTEGER, PARAMETER :: IA_IEPOXOSDI = 22\n INTEGER, PARAMETER :: IA_IMAE = 23\n INTEGER, PARAMETER :: IA_2MG = 24\n INTEGER, PARAMETER :: IA_IMAEOS = 25\n INTEGER, PARAMETER :: IA_NO3 = 26\n INTEGER, PARAMETER :: IA_GLY = 27\n INTEGER, PARAMETER :: IA_MGLY = 28\n INTEGER, PARAMETER :: IA_NTR2 = 29\n INTEGER, PARAMETER :: IA_CLNO3_WAI = 30\n INTEGER, PARAMETER :: IA_CLNO3_WAJ = 31\n INTEGER, PARAMETER :: IA_HBR_BRJ = 32\n INTEGER, PARAMETER :: IA_BRNO3_WAI = 33\n INTEGER, PARAMETER :: IA_BRNO3_WAJ = 34\n INTEGER, PARAMETER :: IA_HOBR_CLJ = 35\n INTEGER, PARAMETER :: IA_HOBR_BRJ = 36\n INTEGER, PARAMETER :: IA_BRNO3_CLJ = 37\n INTEGER, PARAMETER :: IA_BRNO3_BRJ = 38\n INTEGER, PARAMETER :: IA_BRNO2_CLJ = 39\n INTEGER, PARAMETER :: IA_BRNO2_BRJ = 40\n INTEGER, PARAMETER :: IA_I2O2_AI = 41\n INTEGER, PARAMETER :: IA_I2O2_AJ = 42\n INTEGER, PARAMETER :: IA_I2O3_AI = 43\n INTEGER, PARAMETER :: IA_I2O3_AJ = 44\n INTEGER, PARAMETER :: IA_I2O4_AI = 45\n INTEGER, PARAMETER :: IA_I2O4_AJ = 46\n INTEGER, PARAMETER :: IA_INO3_CLJ = 47\n INTEGER, PARAMETER :: IA_INO3_BRJ = 48\n INTEGER, PARAMETER :: IA_INO2_CLJ = 49\n INTEGER, PARAMETER :: IA_INO2_BRJ = 50\n INTEGER, PARAMETER :: IA_HOI_CLJ = 51\n INTEGER, PARAMETER :: IA_HOI_BRJ = 52\n INTEGER, PARAMETER :: IA_ISO3NOSJ = 53\n INTEGER, PARAMETER :: IA_ISO3OSJ = 54\n INTEGER, PARAMETER :: IA_HO2 = 55\n\n\n INTEGER, PARAMETER :: INDEX_AERO_RATES( NUMB_AERO_RATES ) = \n & (/ IA_N2O5IJ , IA_N2O5K , \n & IA_N2O5IJY , IA_N2O5KY , \n & IA_NO2 , IA_H2NO3PAIJ,\n & IA_H2NO3PBIJ, IA_H2NO3PAK ,\n & IA_H2NO3PBK , IA_H2NO3PAI ,\n & IA_H2NO3PBI , IA_H2NO3PAJ ,\n & IA_H2NO3PBJ , IA_N2O5I , \n & IA_N2O5J , IA_PNCOMLI ,\n & IA_PNCOMLJ , IA_IEPOX ,\n & IA_TETROL , IA_IEPOXOS ,\n & IA_TETROLDIM, IA_IEPOXOSDI,\n & IA_IMAE , IA_2MG ,\n & IA_IMAEOS , IA_NO3 ,\n & IA_GLY , IA_MGLY ,\n & IA_NTR2 , IA_CLNO3_WAI,\n & IA_CLNO3_WAJ, IA_HBR_BRJ ,\n & IA_BRNO3_WAI, IA_BRNO3_WAJ,\n & IA_HOBR_CLJ , IA_HOBR_BRJ ,\n & IA_BRNO3_CLJ, IA_BRNO3_BRJ,\n & IA_BRNO2_CLJ, IA_BRNO2_BRJ,\n & IA_I2O2_AI , IA_I2O2_AJ ,\n & IA_I2O3_AI , IA_I2O3_AJ ,\n & IA_I2O4_AI , IA_I2O4_AJ ,\n & IA_INO3_CLJ , IA_INO3_BRJ ,\n & IA_INO2_CLJ , IA_INO2_BRJ ,\n & IA_HOI_CLJ , IA_HOI_BRJ ,\n & IA_ISO3NOSJ , IA_ISO3OSJ ,\n & IA_HO2 /)\n\n INTEGER :: SELECTED_AERO_RATES\n INTEGER, ALLOCATABLE :: WHICH_AERO_RATE( : )\n \nC *** Molecular weight\n REAL( 8 ), SAVE :: MWTIEPOX ! molecular weight of IEPOX [g/mol]\n REAL( 8 ), SAVE :: CFACTOR_IEPOX ! factor used for the mean molecular speed of IEPOX [m/(s^1*(deg K)^0.5)]\n REAL( 8 ), SAVE :: MWTIMAE ! molecular weight of IMAE [g/mol]\n REAL( 8 ), SAVE :: CFACTOR_IMAE ! factor used for the mean molecular speed of IMAE [m/(s^1*(deg K)^0.5)]\n REAL( 8 ), SAVE :: MWTNO3 ! molecular weight of NO3 [g/mol]\n REAL( 8 ), SAVE :: CFACTOR_NO3 ! factor used for the mean molecular speed of NO3 [m/(s^1*(deg K)^0.5)]\n REAL( 8 ), SAVE :: MWTGLY ! molecular weight of GLY [g/mol]\n REAL( 8 ), SAVE :: CFACTOR_GLY ! factor used for the mean molecular speed of GLY [m/(s^1*(deg K)^0.5)]\n REAL( 8 ), SAVE :: MWTMGLY ! molecular weight of MGLY [g/mol]\n REAL( 8 ), SAVE :: CFACTOR_MGLY ! factor used for the mean molecular speed of MGLY [m/(s^1*(deg K)^0.5)]\n REAL( 8 ), SAVE :: MWTHO2 ! molecular weight of HO2 [g/mol]\n REAL( 8 ), SAVE :: CFACTOR_HO2 ! factor used for the mean molecular speed of HO2 [m/(s^1*(deg K)^0.5)]\n\nC *** 2nd and 3rd moments with wet species\n REAL( 8 ), ALLOCATABLE :: WET_M3( : ) ! WET_M3_I, WET_M3_J, WET_M3_K ! M3 w.H2O, svOA\n REAL( 8 ), ALLOCATABLE :: WET_M2( : ) ! WET_M2_I, WET_M2_J, WET_M2_K ! M2 w.H2O, svOA\n REAL( 8 ), ALLOCATABLE :: DE_WET( : ) ! DE_AT_WET, DE_AC_WET, DE_CO_WET ! Initial effective diameter w.H2O\n\nC Isoprene product particle phase reaction rates (Eddingsaas et al. 2010) [1/(M^2 s)]\n REAL ( 8 ), PARAMETER :: K_H_WATER = 9.0D-4\n REAL ( 8 ), PARAMETER :: K_H_NUC = 2.0D-4\n REAL ( 8 ), PARAMETER :: K_H_SO4 = 8.83D-3 ! Piletic et al. 2013, Budisulistiorini et al. in prep\n REAL ( 8 ), PARAMETER :: K_HSO4_WATER = 1.31D-5\n REAL ( 8 ), PARAMETER :: K_HSO4_NUC = 2.92D-6\n\nC Acid catalyzed particle phase reactions\n TYPE ACID_CAT\n CHARACTER( 16 ) :: PARENT ! gas-phase parent species\n CHARACTER( 16 ) :: NUC ! aerosol-phase nucleophile that adds to epoxide ring\n CHARACTER( 16 ) :: ACID ! acid that catalyzes epoxide ring opening\n INTEGER :: IDX_ACID ! array index for acid concentration\n INTEGER :: IDX_REMOVE ! array index denoting whether to correct nucleophile for acid\n REAL( 8 ) :: KCHEM ! particle phase rate constant [1/(M^2 s)]\n CHARACTER( 16 ) :: PROD ! product of nucleophile+parent\n END TYPE ACID_CAT\n\nC IEPOX uptake parameters \n INTEGER, SAVE :: N_NUCPAIRS ! NUMBER OF ACID/NUCLEOPHILE PAIRS \n TYPE( ACID_CAT ), ALLOCATABLE, SAVE :: ACID_NUC_PAIRS( : )\n INTEGER, SAVE :: NUMVOC ! number of VOCs treated (IEPOX, IMAE)\n\nC IEPOX uptake parameters for standard AERO6 or AERO7 (condensed IEPOX SOA)\n INTEGER, PARAMETER :: N_NUCPAIRS_AE = 6 ! NUMBER OF ACID/NUCLEOPHILE PAIRS \n\nC IEPOX uptake based on Eddingsaas et al. 2010 parameters with Piletic\nC 2013 update for the organosulfate. Same as Pye et al. 2013\nC implementation except dimers are not considered. \n TYPE( ACID_CAT ), PARAMETER :: ACID_NUC_PAIRS_AE( N_NUCPAIRS_AE ) = (/\nC Parent Nucleophile Acid Acid Remove Rate Constant Product\nC (parent) (nuc) (acid) Index Index (kchem) (prod)\nC -------- ----------- ---------- ----- ------ ------------- --------\n & ACID_CAT('IEPOX', 'AH2OJ ', 'HPLUS ', 1, 0, K_H_WATER, 'AISO3J' ),\n & ACID_CAT('IEPOX', 'ASO4J ', 'HPLUS ', 1, 2, K_H_SO4, 'AISO3J' ),\n & ACID_CAT('IEPOX', 'ANO3J ', 'HPLUS ', 1, 0, K_H_NUC, 'AISO3J' ),\n & ACID_CAT('IEPOX', 'AH2OJ ', 'HSO4 ', 2, 0, K_HSO4_WATER, 'AISO3J' ),\n & ACID_CAT('IEPOX', 'ASO4J ', 'HSO4 ', 2, 2, K_HSO4_NUC, 'AISO3J' ),\n & ACID_CAT('IEPOX', 'ANO3J ', 'HSO4 ', 2, 0, K_HSO4_NUC, 'AISO3J' )/)\n\nC IEPOX + MAE uptake parameters for AERO6i or AERO7i (explicit IEPOX SOA)\n INTEGER, PARAMETER :: N_NUCPAIRS_AEI = 12 ! NUMBER OF ACID/NUCLEOPHILE PAIRS\n\nC IEPOX uptake following the implementation\nC in Pye et al. 2013 ES&T base simulation except epoxide-derived organonitrates are no longer\nC considered in saprc07tic_ae7i due to their predicted small contribution to ambient PM. In addition,\nC oligomerization of MAE/HMML-derived aerosol is not considered also due to its predicted\nC small contribution and desire to have the model \"dimer\" species be only IEPOX derived.\n TYPE( ACID_CAT ), PARAMETER :: ACID_NUC_PAIRS_AEI( N_NUCPAIRS_AEI ) = (/\nC Parent Nucleophile Acid Acid Remove Rate Constant Product\nC (parent) (nuc) (acid) Index Index (kchem) (prod)\nC -------- ----------- ---------- ----- ------ ------------- --------\n & acid_cat('IEPOX', 'AH2OJ ', 'HPLUS ', 1, 0, k_H_water, 'AIETETJ' ),\n & acid_cat('IEPOX', 'ASO4J ', 'HPLUS ', 1, 2, k_H_SO4, 'AIEOSJ' ),\n & acid_cat('IEPOX', 'AIEOSJ ', 'HPLUS ', 1, 0, k_H_nuc, 'ADIMJ' ),\n & acid_cat('IEPOX', 'AIETETJ ', 'HPLUS ', 1, 0, k_H_nuc, 'ADIMJ' ),\n & acid_cat('IEPOX', 'AH2OJ ', 'HSO4 ', 2, 0, k_HSO4_water, 'AIETETJ' ),\n & acid_cat('IEPOX', 'ASO4J ', 'HSO4 ', 2, 2, k_HSO4_nuc, 'AIEOSJ' ),\n & acid_cat('IEPOX', 'AIEOSJ ', 'HSO4 ', 2, 0, k_HSO4_nuc, 'ADIMJ' ),\n & acid_cat('IEPOX', 'AIETETJ ', 'HSO4 ', 2, 0, k_HSO4_nuc, 'ADIMJ' ),\n & acid_cat('IMAE', 'AH2OJ ', 'HPLUS ', 1, 0, k_H_water, 'AIMGAJ' ),\n & acid_cat('IMAE', 'ASO4J ', 'HPLUS ', 1, 2, k_H_nuc, 'AIMOSJ' ),\n & acid_cat('IMAE', 'AH2OJ ', 'HSO4 ', 2, 0, k_HSO4_water, 'AIMGAJ' ),\n & acid_cat('IMAE', 'ASO4J ', 'HSO4 ', 2, 2, k_HSO4_nuc, 'AIMOSJ' )/)\n\nC IEPOX uptake for CRACMM mechanism\n\n INTEGER, PARAMETER :: N_NUCPAIRS_CRCM = 6 ! NUMBER OF ACID/NUCLEOPHILE PAIRS\n\n TYPE( ACID_CAT ), PARAMETER :: ACID_NUC_PAIRS_CRCM( N_NUCPAIRS_CRCM ) = (/\n\nC Parent Nucleophile Acid Acid Remove Rate Constant Product\nC (parent) (nuc) (acid) Index Index (kchem) (prod)\nC -------- ----------- ---------- ----- ------ ------------- --------\n & acid_cat('IEPOX', 'AH2OJ ', 'HPLUS ', 1, 0, K_H_WATER, 'AISO3NOSJ' ),\n & acid_cat('IEPOX', 'ASO4J ', 'HPLUS ', 1, 2, K_H_SO4, 'AISO3OSJ' ),\n & acid_cat('IEPOX', 'ANO3J ', 'HPLUS ', 1, 0, K_H_NUC, 'AISO3NOSJ' ),\n & acid_cat('IEPOX', 'AH2OJ ', 'HSO4 ', 2, 0, K_HSO4_WATER, 'AISO3NOSJ' ),\n & acid_cat('IEPOX', 'ASO4J ', 'HSO4 ', 2, 2, K_HSO4_NUC, 'AISO3OSJ' ),\n & acid_cat('IEPOX', 'ANO3J ', 'HSO4 ', 2, 0, K_HSO4_NUC, 'AISO3NOSJ' )/)\n\n\nC Mapping array for location of acid enhanced products and nucleophiles in aerospc_conc \n INTEGER, ALLOCATABLE, SAVE :: ACID_PRODMAP_IDX( : )\n INTEGER, ALLOCATABLE, SAVE :: ACID_NUCMAP_IDX( : )\n\n CONTAINS\n\n SUBROUTINE HETCHEM_RATES( TEMP, PRESS, WVAPOR, CGRID, DENS )\n\nc Calculates the heterogeneous reactions for N2O5, NO2, CLNO2, and IEPOX. \nc\nc Key Subroutines Called: EXTRACT_AERO, EXTRACT_SOA, PATPAR\nc N2O5_GAMMA\nc\nc 09/18/13 - B.Hutzell - initial version adapted from the hetchem.F file\nc in aero6 module of CMAQ version 5.01. The adaptation includes\nc heterogeneous nitryl chloride production used for Sarwar et al.\nc (2012).\nc 09/12/14 - G. Sarwar - revised the heterogeneous nitryl chloride production\nc 09/26/14 - H. Pye - Heterogeneous uptake of IEPOX on acidic aerosol added\nc following Pye et al. (2013).\nc 10/01/14 - B.Hutzell - change STP value for N205 diffusivity based on\nc review paper: 1) M. J. Tang, R. A. Cox, and M. Kalberer.\nc Compilation and evaluation of gas-phase diffusion coefficients \nc of inorganic reactive trace gases in the atmosphere. Atmos. Chem.\nc Phys. Discuss., 14, 15645–15682, 2014. \nc www.atmos-chem-phys-discuss.net/14/15645/2014/doi:10.5194/acpd-14-15645-2014.pdf\nc 09/12/14 - G. Sarwar - revised the heterogeneous nitryl chloride production\nC 10/01/14 - B.Hutzell - change STP value for N205 diffusivity based on\nC review paper: 1) M. J. Tang, R. A. Cox, and M. Kalberer.\nC Compilation and evaluation of gas-phase diffusion coefficients \nC of inorganic reactive trace gases in the atmosphere. Atmos. Chem.\nC Phys. Discuss., 14, 15645–15682, 2014. \nC www.atmos-chem-phys-discuss.net/14/15645/2014/doi:10.5194/acpd-14-15645-2014.pdf\nc 01/02/15 - H. Pye - Heterogeneous uptake of MAE added to saprc07tic_ae6i version\nC heterogeneous nitryl chloride production used for Sarwar et al.\nc (2012).\nC 02/09/15 - B.Hutzell - corrected NO2 rate by a factor of two based consulting the stoiciometery for \nc reaction published in Sarwar et al. (2008) and its analytical solution\nC 05/06/2015 H Pye - Added NO3 heterogeneous reaction using low end of\nC range from Mao et al 2013 \nC 06/2015 H Pye - Added SOA from GLY and MGLY uptake onto particles\nC 09/2015 B.Hutzell - Added data and varaibles to calculate pseudo-first order rate constant \nC for heterogeneous hydrolysis that converts organic nitrate to nitric acid. Both are\nC assumed gas phase species. The reaction comes the CB6r3 chemical mechanism used by \nC the Environ CAMX model consult references 9 and 10.\nc 03/24/16 - G. Sarwar - Heterogeneous uptake of BRONO2 on aerosols\nC 5/2016 H Pye - merged with AERO6i version (added NO3, GLY, MGLY, IMAE het rxn)\nc 07/17/18 - G. Sarwar - Heterogeneous uptakes of chlorine, bromine and iodine species on aerosols\nC 06/10/21 - G. Sarwar: Added CB6R5M_AE7_AQ\nC 11/08/23 - N. Skipper: Added heterogeneous uptake of HO2\nC\nc REFERENCES:\nc 1. Pleim, J.E., F.S. Binkowski, J.K.S. Ching, R.L. Dennis, and N.V.\nc Gallani, An improved representation of the reaction of N2O5 on\nc aerosols for mesoscale air quality models. In \"Regional\nc Photochemical Measurement and Modeling Studies, Vol 2 - Results\nc and Status of Modeling,\" Eds A.J. Ranzieri and P.A. Solomon, pp\nc 904-913, 1995.\nc\nc 2. Davis, J.M., P.V. Bhave, and K.M. Foley, Parameterization of N2O5\nc reaction probabilities on the surface of particles containing\nc ammonium, sulfate, and nitrate. Atmos. Chem. Phys., 2008, in\nc press.\nc\nc 3. Vogel, B., H. Vogel, J. Kleffman, and R. Kurtenbach, Measured and\nc simulated vertical profiles of nitrous acid - Part II. Model\nc simulations and indications for a photolytic source, Atmospheric\nc Environment, 37, 2957-2966, 2003.\nc\nc 4. Sarwar, G., S.J. Roselle, R. Mathur, W. Appel, R.L. Dennis, and\nc B. Vogel, A comparison of CMAQ HONO predictions with observations\nc from the Northeast Oxidant and Particle Study, Atmospheric\nc Environment, 2008, in press.\nC\nC 5. Bertram, T. H. and J.A. Thornton, Toward a general parameterization\nC of N2O5 reactivity on aqueous particles: the competing effects of \nC particle liquid water, nitrate, and chloride, ACP, 9, 8351-8363, 2009 \nC\nC 6. Sarwar, G., H. Simon2, P. Bhave1, and G. Yarwood. Examining the impact of \nC heterogeneous nitryl chloride production on air quality across the United\nC States. Atmos. Chem. Phys., 12, 6455-6473, 2012.\nC\nC 7. Pye et al., Epoxide pathways improve model predictions of isoprene\nC markers and reveal key role of acidity in aerosol formation,\nC Environ. Sci. Technol., doi: 10.1021/es402106h, 2013.\nC\nC 8. Rollins, A.W., S. Pusede, P.Wooldridge, K.-E.Min, D.R. Gentner, A.H. \nC Goldstein, S. Liu, D.A. Day, L.M. Russell, C.L. Rubitschun, J.D. Surratt,\nC and R.C. Cohen, Gas/particle partitioning of total alkyl nitrates \nC observed with TD-LIF in Bakersfield.J.Geophys.Res., 118, 6651-6662, 2013.\nC\nC 9. Liu, S., J.E. Shilling, C. Song, N. Hiranuma, R.A. Zaveri, L.M. Russell,\nC Hydrolysis of Organonitrate Functional Groups in Aerosol Particles.\nC Aerosol Sci. Technol., 46, 1359-1369, 2012.\nC\nC 10. Yang, X., R. A. Cox, N. J. Warwick, J. A. Pyle, G. D. Carver, F. M.\nC O'Connor, and N. H. Savage, Tropospheric bromine chemistry\nC and its impacts on ozone: A model study, J. Geophys. Res., 110, D23311,\nC doi:10.1029/2005JD006244, 2005.\nC\nC 11. Mao et al. Ozone and organic nitrates over the eastern United\nC States: Sensitivity to isoprene chemistry, J. Geophys. Res. doi:\nC 10.1002/jgrd.50817, 2013.\n\nC 12. Fernandez et al., Bromine partitioning in the tropical tropopause layer: \nC implications for stratospheric injection, ACP, 14, 13391-13410, 2014.\nC\nC 13. Schmidt et al., Modeling the observed tropospheric BrO background: Importance \nC of multiphase chemistry and implications for ozone, OH, and mercury, \nC J. Geophys. Res. doi: 10.1002/2015JD024229\nC\nC 14. Sherwen et al., Global impacts of tropospheric halogens on oxidants and \nC composition in GEOS-CHEM: ACP, 16, 12239-12271, 2016\nC\nC 15. Deiber et al., Uptake of ClONO2 and BrONO2 by halide containing droplets\nC ACP, 4, 1291-1299, 2004\nC\nC 16. Ivatt et al., Suppression of surface ozone by an aerosol-inhibited\nC photochemical ozone regime, Nat. Geosci.,\nC doi: 10.1038/s41561-022-00972-9, 2022\nC 17. Jacob, Heterogeneous chemistry and tropospheric ozone, Atm Env.,\nC doi: 10.1016/S1352-2310(99)00462-8, 2000\nC\nC-----------------------------------------------------------------------\n USE RUNTIME_VARS\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE RXNS_DATA\n USE AERO_DATA\n USE AEROMET_DATA, ONLY: f6dpi, airdens\n USE PRECURSOR_DATA\n USE SOA_DEFN\n USE ELMO_DATA\n !USE ELMO_PROC\n USE CENTRALIZED_IO_MODULE\n\n IMPLICIT NONE\n\n INCLUDE SUBST_CONST ! CMAQ constants\n\nC *** Arguments\n REAL, POINTER :: CGRID ( :,:,:,: ) ! pointer of model concentrations\n REAL, INTENT( IN ) :: TEMP ( :,:,: ) ! temperature [K]\n REAL, INTENT( IN ) :: PRESS ( :,:,: ) ! pressure [Pa]\n REAL, INTENT( IN ) :: WVAPOR( :,:,: ) ! water vapor mass mixing ratio(Kg/Kg air)\n REAL, OPTIONAL, INTENT( IN ) :: DENS ( :,:,: ) ! air density(Kg/m3 air)\n\n CHARACTER(16), SAVE :: PNAME = 'HETCHEM_RATES'\n \nC *** Parameters\n REAL( 8 ), PARAMETER :: AQUEOUS_FREQUENCY = 1.0D+9\n REAL( 8 ), PARAMETER :: INV_SQRT_MWNO2 = 1.47425932467825D-1\n REAL( 8 ), PARAMETER :: INV_SQRT_MWN2O5 = 9.62161363758323D-2\n REAL( 8 ), PARAMETER :: INV_SQRT_MWCLNO3 = 1.012739360000D-1 \n REAL( 8 ), PARAMETER :: INV_SQRT_MWBRNO3 = 8.394770000000D-2\n REAL( 8 ), PARAMETER :: INV_SQRT_MWBRNO2 = 8.91220000000D-2\n REAL( 8 ), PARAMETER :: INV_SQRT_MWHOBR = 1.015869000D-1\n REAL( 8 ), PARAMETER :: INV_SQRT_MWHBR = 1.111797000D-1 \n REAL( 8 ), PARAMETER :: INV_SQRT_MWI2O2 = 5.9151900D-2\n REAL( 8 ), PARAMETER :: INV_SQRT_MWI2O3 = 5.7562500D-2\n REAL( 8 ), PARAMETER :: INV_SQRT_MWI2O4 = 5.6090000D-2\n REAL( 8 ), PARAMETER :: INV_SQRT_MWINO3 = 7.275850000D-2\n REAL( 8 ), PARAMETER :: INV_SQRT_MWINO2 = 7.605050000D-2\n REAL( 8 ), PARAMETER :: INV_SQRT_MWHOI = 8.336220000D-2\n\n REAL( 8 ), PARAMETER :: UGM3_CONV_FAC = 8.31251724585556D00 ! =1.0E-3*AIRDENS_STD*(PRESS_STD/TEMP_STD)\n REAL( 8 ), PARAMETER :: COEF1 = 7.24382926227485D10 ! Molec/cc to ppm conv factor \n REAL( 8 ), PARAMETER :: COEF2 = 2.14805198392421D13 ! convert air density [kg/m3] to number density [ppm]\n\n REAL( 8 ), PARAMETER :: GAMMA_NO3 = 1.0D-3 ! Jacob 2000\n REAL( 8 ), PARAMETER :: GAMMA_GLY = 2.9D-3 ! Liggio et al. 2005\n REAL( 8 ), PARAMETER :: GAMMA_HO2 = 0.2D+0 ! Ivatt et al. 2022\n\n REAL( 8 ), PARAMETER :: STD_DIFF_N2O5 = 0.0855D-4 ! N2O5 molecular diffusivity at 101325 Pa and 273.15 K [m2/sec]\n REAL( 8 ), PARAMETER :: STD_DIFF_CLNO3 = 0.1014D-4 ! CLNO3 molecular diffusivity at 101325 Pa and 273.15 K [m2/sec] \n REAL( 8 ), PARAMETER :: STD_DIFF_BRNO3 = 0.0855D-4 ! BRONO2 molecular diffusivity at 101325 Pa and 273.15 K [m2/sec]\n REAL( 8 ), PARAMETER :: STD_DIFF_BRNO2 = 0.0999D-4 ! BRNO2 molecular diffusivity at 101325 Pa and 273.15 K [m2/sec]\n REAL( 8 ), PARAMETER :: STD_DIFF_HOBR = 0.1101D-4 ! HOBR molecular diffusivity at 101325 Pa and 273.15 K [m2/sec]\n REAL( 8 ), PARAMETER :: STD_DIFF_HBR = 0.1216D-4 ! HBR molecular diffusivity at 101325 Pa and 273.15 K [m2/sec] \n REAL( 8 ), PARAMETER :: STD_DIFF_I2O2 = 0.0732D-4 ! I2O2 molecular diffusivity at 101325 Pa and 273.15 K [m2/sec] \n REAL( 8 ), PARAMETER :: STD_DIFF_I2O3 = 0.0707D-4 ! I2O3 molecular diffusivity at 101325 Pa and 273.15 K [m2/sec] \n REAL( 8 ), PARAMETER :: STD_DIFF_I2O4 = 0.0684D-4 ! I2O4 molecular diffusivity at 101325 Pa and 273.15 K [m2/sec] \n REAL( 8 ), PARAMETER :: STD_DIFF_INO3 = 0.0792D-4 ! INO3 molecular diffusivity at 101325 Pa and 273.15 K [m2/sec] \n REAL( 8 ), PARAMETER :: STD_DIFF_INO2 = 0.0833D-4 ! INO2 molecular diffusivity at 101325 Pa and 273.15 K [m2/sec] \n REAL( 8 ), PARAMETER :: STD_DIFF_HOI = 0.0972D-4 ! HOI molecular diffusivity at 101325 Pa and 273.15 K [m2/sec] \n\n! REAL, PARAMETER :: GPKG = 1.0E+03 ! g/kg unit conversion\n REAL, PARAMETER :: CFACTOR = 8.0 * GPKG * RGASUNIV / PI ! factor in cbar_coeff\n REAL, PARAMETER :: PA2ATM = 1.0 / STDATMPA ! Pascal to atm conv fac\n REAL, PARAMETER :: WMASS2PPM = 1.0E6 * MWAIR / MWWAT ! H2O mixing ratio to ppm\n REAL, PARAMETER :: MAOMV = MWAIR / MWWAT\n REAL, PARAMETER :: CONCOFM = 1.0E+06 ! conc. of M = 1E+06 ppm\n REAL, PARAMETER :: INV_STDTEMP = 1.0 / STDTEMP\n REAL, PARAMETER :: EPSWATER = MWWAT / MWAIR\nC *** parameters for heterogeneous hydrolysis of NTR2\n REAL, PARAMETER :: ON_ALPHA1 = 0.34, ! Organic nitrate (ON) partitioning parameters\n & ON_ALPHA2 = 0.66, ! based on Rollins et al., 2013\n & ON_CSTAR1 = 0.73,\n & ON_CSTAR2 = 1000.0\n\n REAL, PARAMETER :: MIN_TOA = 0.0001 ! Min. conc. of total OA for partitioning to occur [ug/m3]\n REAL, PARAMETER :: KHON = 2.7778E-03 ! heterogeneous ON hydrolysis rate [1/min] ~ 4/day\n\nC *** Local Variables\n REAL( 8 ) :: AIRTEMP ! air temperature [K]\n REAL( 8 ) :: AIRPRES ! air pressure [Pa] \n REAL( 8 ) :: GAMMA ! fine mode N2O5->NO3 rxn probability\n REAL( 8 ) :: GAMMAIEPOX ! IEPOX uptake coefficient\n REAL( 8 ) :: GAMMAIMAE ! IMAE uptake coefficient\n REAL( 8 ) :: KPIEPOX ! IEPOX particle-phase reaction rate const (pseudo 1st order, sec-1)\n REAL( 8 ) :: KN2O5( N_MODE ) ! pseudo-first order rate constant, sec-1\n REAL( 8 ) :: KNO3( N_MODE ) ! pseudo-first order rate constant, sec-1\n REAL( 8 ) :: KGLY( N_MODE ) ! pseudo-first order rate constant, sec-1\n REAL( 8 ) :: KMGLY( N_MODE ) ! pseudo-first order rate constant, sec-1\n REAL( 8 ) :: KNO2 ! pseudo-first order rate constant, sec-1\n REAL( 8 ) :: KIEPOX ! pseudo-first order rate constant for IEPOX uptake, sec-1\n REAL( 8 ) :: KIMAE ! pseudo-first order rate constant for MAE uptake, sec-1\n REAL( 8 ) :: KHO2( N_MODE ) ! pseudo-first order rate constant, sec-1\n\n REAL( 8 ) :: K1 ! pseudo-first order rate constant, sec-1 \n REAL( 8 ) :: K2 ! pseudo-first order rate constant, sec-1 \n REAL( 8 ), PARAMETER :: MIN_VALUE = 1.0D-09 ! minimum concentration for activating chemistry\n\n REAL( 8 ) :: CBAR_COEFF ! cell coefficient for mean molecular speed\n REAL( 8 ) :: ADJUST_DIFF ! Cell temp and press correction to diffusivity\n REAL( 8 ) :: INV_DIFFUSIVITY ! reciprocal molecular diffusivity [m2/sec] \n\n REAL( 8 ) :: XXF( N_MODE ) ! XXF_AT, XXF_AC, XXF_CO ! modal factors to calculate KN2O5\n REAL( 8 ) :: CL_PPM( N_MODE ) ! aerosol chlorine in ppm\n REAL( 8 ) :: BR_PPM( N_MODE ) ! aerosol bromine in ppm\n REAL( 8 ) :: YIELD_CLNO2( N_MODE ) ! model reactions yields of CLNO2 \n \n REAL( 8 ) :: H2OVP ! ambient water vapor pressure [Atm]\n REAL( 8 ) :: AIRRH ! Relative Humidity [Fractional]\n REAL( 8 ) :: YIELDIJ ! fine mode reaction yield, dimensionaless\n REAL( 8 ) :: TOTSURFA ! aerosol surface area (m**2/m**3)\n REAL( 8 ) :: FACTOR ! scratch multiplicative factor\n REAL( 8 ) :: RFACTOR ! factor converting rate constant from cm3/molec/sec to 1/ppm/min\n REAL( 8 ) :: RADIUS_I ! effective particle radius [m] - i-mode\n REAL( 8 ) :: RADIUS ! effective particle radius [m] - j-mode\n\n REAL( 8 ) :: SSALT_SURFA ! sea-salt aerosol surface area (m**2/m**3)\n REAL( 8 ) :: SSALT_VOL ! sea-salt aerosol volume (m**3/m**3)\n \n REAL( 8 ) :: CBAR ! molecular velocity of N2O5 (m/s)\n REAL( 8 ) :: CBARIEPOX ! molecular velocity of IEPOX (m/s)\n REAL( 8 ) :: CBARIMAE ! molecular velocity of IMAE (m/s)\n REAL( 8 ) :: CBARNO3 ! molecular velocity of NO3 (m/s)\n REAL( 8 ) :: CBARGLY ! molecular velocity of GLY (m/s)\n REAL( 8 ) :: CBARMGLY ! molecular velocity of MGLY (m/s)\n REAL( 8 ) :: CBARHO2 ! molecular velocity of HO2 (m/s)\n REAL( 8 ) :: TETROL_PPM ! accumulation mode aerosol tetrol in ppm\n REAL( 8 ) :: IEPOXOS_PPM ! accumulation mode iepox organosulfate in ppm\n REAL( 8 ) :: ASO4J_PPM ! accumulation mode inorganic sulfate in ppm\n REAL( 8 ) :: FH2O(2) ! fraction of epoxide aerosol from hydrolysis, index: IEPOX(1) and MAE(2)\n REAL( 8 ) :: FOS(2) ! fraction of epoxide aerosol as organosulfate, index: IEPOX(1) and MAE(2)\n REAL( 8 ) :: FDIM1(2) ! fraction of epoxide aerosol as dimer, index: IEPOX(1) and MAE(2)\n REAL( 8 ) :: FDIM2(2) ! fraction of epoxide aerosol as organosulfate dimer, index: IEPOX(1) and MAE(2)\n REAL( 8 ), SAVE :: INV_MWIETET, INV_MWIEOS ! reciprocal of molecular weight for tetrol, iepoxos [mol/g]\n REAL( 8 ), SAVE :: INV_MWASO4 ! reciprocal of molecular weight of particulate sulfate [mol/g]\n\n REAL( 8 ) :: CBAR_CLNO3 ! molecular velocity of CLNO3 (m/s) \n REAL( 8 ) :: CBAR_HBR ! molecular velocity of HOBR (m/s) \n REAL( 8 ) :: CBAR_BRNO2 ! molecular velocity of BRNO2 (m/s) \n REAL( 8 ) :: CBAR_BRNO3 ! molecular velocity of BRNO3 (m/s)\n REAL( 8 ) :: CBAR_HOBR ! molecular velocity of HOBR (m/s) \n REAL( 8 ) :: CBAR_I2O2 ! molecular velocity of I2O2 (m/s) \n REAL( 8 ) :: CBAR_I2O3 ! molecular velocity of I2O3 (m/s) \n REAL( 8 ) :: CBAR_I2O4 ! molecular velocity of I2O4 (m/s) \n REAL( 8 ) :: CBAR_INO2 ! molecular velocity of INO2 (m/s) \n REAL( 8 ) :: CBAR_INO3 ! molecular velocity of INO3 (m/s) \n REAL( 8 ) :: CBAR_HOI ! molecular velocity of HOI (m/s)\n \n REAL( 8 ) :: CLNO3_H2O_RXN_TIME ! CLNO3 reaction time per aerosol surface area density with H2O (s/m) \n REAL( 8 ) :: HBR_RXN_TIME ! HBR reaction time per aerosol surface area density with seasalt (s/m)\n REAL( 8 ) :: BRNO3_H2O_RXN_TIME ! BRNO3 reaction time per aerosol surface area density with H2O (s/m)\n REAL( 8 ) :: HOBR_ASS_RXN_TIME ! HOBR reaction time per aerosol surface area density with fine-mode ACL (s/m)\n REAL( 8 ) :: BRNO2_RXN_TIME ! BRNO2 reaction time per aerosol surface area density (s/m)\n REAL( 8 ) :: BRNO3_RXN_TIME ! BRNO3 reaction time per aerosol surface area density (s/m)\n REAL( 8 ) :: I2O2_RXN_TIME ! I2O2 reaction time per aerosol surface area density (s/m)\n REAL( 8 ) :: I2O3_RXN_TIME ! I2O3 reaction time per aerosol surface area density (s/m)\n REAL( 8 ) :: I2O4_RXN_TIME ! I2O4 reaction time per aerosol surface area density (s/m)\n REAL( 8 ) :: INO2_RXN_TIME ! INO2 reaction time per aerosol surface area density (s/m)\n REAL( 8 ) :: INO3_RXN_TIME ! INO3 reaction time per aerosol surface area density (s/m)\n REAL( 8 ) :: HOI_RXN_TIME ! HOI reaction time per aerosol surface area density (s/m)\n\n REAL( 8 ) :: INV_DIFF_CLNO3 ! reciprocal molecular diffusivity [m2/sec]\n REAL( 8 ) :: INV_DIFF_HBR ! reciprocal molecular diffusivity [m2/sec]\n REAL( 8 ) :: INV_DIFF_BRNO3 ! reciprocal molecular diffusivity [m2/sec]\n REAL( 8 ) :: INV_DIFF_BRNO2 ! reciprocal molecular diffusivity [m2/sec]\n REAL( 8 ) :: INV_DIFF_HOBR ! reciprocal molecular diffusivity [m2/sec] \n REAL( 8 ) :: INV_DIFF_I2O2 ! reciprocal molecular diffusivity [m2/sec]\n REAL( 8 ) :: INV_DIFF_I2O3 ! reciprocal molecular diffusivity [m2/sec]\n REAL( 8 ) :: INV_DIFF_I2O4 ! reciprocal molecular diffusivity [m2/sec]\n REAL( 8 ) :: INV_DIFF_INO3 ! reciprocal molecular diffusivity [m2/sec]\n REAL( 8 ) :: INV_DIFF_INO2 ! reciprocal molecular diffusivity [m2/sec]\n REAL( 8 ) :: INV_DIFF_HOI ! reciprocal molecular diffusivity [m2/sec]\n\n REAL :: MARINE_AREA ! variable to identify grid-cells over ocean\n\n INTEGER, SAVE :: IMAE_IDX\n !INTEGER, SAVE :: IHMML_IDX\n INTEGER, SAVE :: NO3_IDX\n INTEGER, SAVE :: GLY_IDX\n INTEGER, SAVE :: MGLY_IDX\n INTEGER, SAVE :: BR_IDX \n INTEGER, SAVE :: HO2_IDX\n\nC *** variables for parameterization by Bertram and Thornton \n REAL :: ACL ! i+j or k mode chloride, ug/m3 \n REAL :: ABR ! i+j or k mode bromide, ug/m3 \n REAL :: AH2O ! i+j or k mode water, ug/m3 \n REAL :: POC ! i or j mode primary organic carbon, ug/m3 \n REAL :: PNCOM ! i or j mode primary noncarbon organic matter, ug/m3 \n REAL, SAVE :: MWCLH2O ! ratio of MWCL/MWH2O \n REAL, SAVE :: MWH2OCL ! ratio of MWH2O/MWCL \n REAL, SAVE :: MWCLCLNO2 ! ratio of MWCL/MWCLNO2\n REAL( 8 ), SAVE :: INV_MWCL ! ratio of 1.0D0/MWCL \n REAL( 8 ), SAVE :: INV_MWBR ! ratio of 1.0D0/MWBR \n REAL( 8 ) :: PPM_FACTOR ! conversion factor to umoles/m3 to ppm\nC *** variables for heterogeneous hydrolysis of NTR2\n REAL :: CON_TOA ! Conc. of total OA [ug/m3]\n REAL :: F_PART_NTR2 ! NTR2 fraction in the particle phase\n \n \n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n\n INTEGER :: IRATE ! loop counter\n INTEGER :: INDX ! found array index\n INTEGER, SAVE :: CLNO2_IDX\n INTEGER, SAVE :: IEPOX_IDX\n\n INTEGER :: C\n INTEGER :: R\n INTEGER :: L\n INTEGER :: N\n INTEGER :: I\n\n INTEGER SPC ! loop counter \n \nC *** variables for getting aerosol diagnostic file flag\n INTEGER :: STATUS ! ENV... status\n CHARACTER( 80 ) :: VARDESC ! environment variable description\n \n CHARACTER( 132 ) :: XMSG\n \nC *** Statement Function **************\n REAL( 8 ) :: INV_ESATL ! arithmetic statement function for reciprocal vapor pressure [Pa]\n REAL( 8 ) :: TT\n\nC *** parameters for calculating GAMMA of HBR ---> ABR, Sherwen et al., ACP, 2016 and IUPAC\n REAL( 8 ) :: GAMMA_HBR ! uptake coefficient of HBR \n REAL( 8 ) :: INV_GAMMA_HBR \n \n! reciprocal of rxn probability for CLNO3 on aerosol, Dieber et al., ACP, 2004\n REAL( 8 ), PARAMETER :: INV_GAMMA_CLNO3_H2O = 1.0D0 / 0.024D0 ! Dieber et al., ACP, 2004 (with H2O)\n\n! reciprocal of rxn probability for bromine species on aerosol\n REAL( 8 ), PARAMETER :: INV_GAMMA_BRNO3_H2O = 1.0D0 / 0.03D0 ! Dieber et al., ACP, 2004\n REAL( 8 ), PARAMETER :: INV_GAMMA_HOBR_ASS = 1.0D0 / 0.1D0 ! Fernandez et al, 2014\n REAL( 8 ), PARAMETER :: INV_GAMMA_BRNO3 = 1.0D0 / 0.08D0 ! Fernandez et al, 2014\n REAL( 8 ), PARAMETER :: INV_GAMMA_BRNO2 = 1.0D0 / 0.04D0 ! Fernandez et al, 2014\n\n! reciprocal of rxn probability for iodine species on aerosol, selective \n REAL( 8 ), PARAMETER :: INV_GAMMA_I2O2 = 1.0D0 / 0.02D0 ! Sherwen et al., 2016\n REAL( 8 ), PARAMETER :: INV_GAMMA_I2O3 = 1.0D0 / 0.02D0 ! Sherwen et al., 2016\n REAL( 8 ), PARAMETER :: INV_GAMMA_I2O4 = 1.0D0 / 0.02D0 ! Sherwen et al., 2016\n REAL( 8 ), PARAMETER :: INV_GAMMA_HOI = 1.0D0 / 0.01D0 ! Sherwen et al., 2016 \n REAL( 8 ), PARAMETER :: INV_GAMMA_INO3 = 1.0D0 / 0.01D0 ! Saiz-Lopez et al. 2014\n REAL( 8 ), PARAMETER :: INV_GAMMA_INO2 = 1.0D0 / 0.02D0 ! Saiz-Lopez et al. 2014\n\nC *** Coefficients for the equation, ESATL defining saturation vapor pressure\nC *** values of AL, BL, and CL are from:\nC Alduchov and Eskridge, \"Improved Magnus Form Approximations of\nC Saturation Vapor Pressure,\"\nC Jour. of Applied Meteorology, vol. 35,\nC pp 601-609, April, 1996.\n REAL( 8 ), PARAMETER :: AL = 610.94D0 \n REAL( 8 ), PARAMETER :: BL = 17.625D0\n REAL( 8 ), PARAMETER :: CL = 243.04D0\n REAL( 8 ), PARAMETER :: DL = 1.0D0 / AL\n\n\n#ifdef verbose_aerosol_chemistry\n LOGICAL :: DUMP_CELL\n#endif\n\n\n INTERFACE\n SUBROUTINE GETPAR( FIXED_sg )\n LOGICAL, INTENT( IN ) :: FIXED_sg ! fix coarse and accum Sg's to the input value?\n END SUBROUTINE GETPAR\n Subroutine Hetchem_Extract_Aero( CONCVEC, C, R, L, WET_M2,\n & WET_M3, DE_WET )\n Real, Intent( In ) :: CONCVEC( : )\n Integer, Intent(In) :: C, R, L\n Real(8), Intent( Out ):: Wet_M2( : ), Wet_M3( : ), De_Wet( : )\n End Subroutine Hetchem_Extract_Aero\n END INTERFACE \n \n INV_ESATL( TT ) = DL * DEXP( BL * ( 273.15D0 - TT ) / ( TT - 273.15D0 + CL ) )\n \nC-----------------------------------------------------------------------\n\n IF ( NHETERO .LT. 1 )RETURN\n\nC *** compute only on first pass\n\n IF ( FIRSTIME ) THEN\n \n FIRSTIME = .FALSE.\n\n CALL MAP_AERO()\n CALL MAP_PRECURSOR()\n\n ALLOCATE( WHICH_AERO_RATE( NHETERO ) )\n \nC *** 2nd and 3rd moments (w. H2O and svOA)\n ALLOCATE( WET_M3( N_MODE ), \n & WET_M2( N_MODE ), \n & DE_WET( N_MODE ) )\nC *** Allocate Gridded Dry Initial Moments so they can be saved for the\nC end of the gas-phase chemical driver\n WHICH_AERO_RATE = -1\n \n SELECTED_AERO_RATES = 0\n DO IRATE = 1, NHETERO\n INDX = INDEX1( HETERO( IRATE ), NUMB_AERO_RATES, NAMES_AERO_RATES )\n IF ( INDX .LT. 1 ) THEN\n XMSG = 'Heterogeneous Reaction Label '// TRIM ( HETERO( IRATE ) )\n & // ' is not in list of available Reaction Rates.'\n CALL M3EXIT( 'HETCHEM_RATES', 0, 0, XMSG, XSTAT3 )\n END IF \n SELECTED_AERO_RATES = SELECTED_AERO_RATES + 1\n WHICH_AERO_RATE( SELECTED_AERO_RATES ) = INDEX_AERO_RATES( INDX )\n END DO\n\n ALLOCATE( KHETERO( SELECTED_AERO_RATES, NCOLS,NROWS,NLAYS ) )\n \n IF ( L_ELMO ) THEN\n ALLOCATE( GAMMA_N2O5IJ( NCOLS,NROWS,NLAYS ) )\n ALLOCATE( GAMMA_N2O5K( NCOLS,NROWS,NLAYS ) )\n ALLOCATE( GAMMA_IEPOX( NCOLS,NROWS,NLAYS ) )\n ALLOCATE( GAMMA_IMAE( NCOLS,NROWS,NLAYS ) )\n ALLOCATE( KPARTIEPOX( NCOLS,NROWS,NLAYS ) )\n ALLOCATE( YCLNO2IJ( NCOLS,NROWS,NLAYS ) )\n ALLOCATE( YCLNO2K( NCOLS,NROWS,NLAYS ) )\n END IF\n\nC *** Determine molecular weights\n INV_MWCL = REAL( 1.0 / aerospc_mw( ACL_IDX ), 8 )\n MWCLH2O = aerospc_mw( ACL_IDX ) / aerospc_mw( AH2O_IDX )\n MWH2OCL = 1.0 / MWCLH2O\n CLNO2_IDX = INDEX1( 'CLNO2', NUMB_MECH_SPC, CHEMISTRY_SPC )\n \n IF ( CLNO2_IDX .GT. 0 ) THEN\n MWCLCLNO2 = aerospc_mw( ACL_IDX) / SPECIES_MOLWT( CLNO2_IDX )\n ELSE\n MWCLCLNO2 = 0.0\n END IF\n\n IEPOX_IDX = INDEX1( 'IEPOX', NUMB_MECH_SPC, CHEMISTRY_SPC )\n IF ( IEPOX_IDX .GT. 0 ) THEN\n MWTIEPOX = REAL( SPECIES_MOLWT( IEPOX_IDX ), 8 ) \n ELSE\n MWTIEPOX = 118.1D0\n END IF\n CFACTOR_IEPOX = DSQRT( 8.0D3 * REAL( RGASUNIV, 8 ) / ( MWTIEPOX * DPI ) )\n\n IMAE_IDX = INDEX1( 'IMAE', NUMB_MECH_SPC, CHEMISTRY_SPC )\n IF( IMAE_IDX .GT. 0 )THEN\n MWTIMAE = REAL( SPECIES_MOLWT( IMAE_IDX ), 8 )\n ELSE\n MWTIMAE = 102.0D0\n END IF\n CFACTOR_IMAE = DSQRT( 8.0D3 * REAL( RGASUNIV, 8 ) / ( MWTIMAE * DPI ) )\n\n IF( AIETET_IDX .GT. 0 ) THEN\n INV_MWIETET = REAL( 1.0/ aerospc_mw( AIETET_IDX ), 8 )\n ELSE\n INV_MWIETET = 0.0D0\n END IF\n\n IF( AIEOS_IDX .GT. 0 ) THEN\n INV_MWIEOS = REAL( 1.0/ aerospc_mw( AIEOS_IDX ), 8 )\n ELSE \n INV_MWIEOS = 0.0D0\n END IF\n\n IF( ASO4_IDX .GT. 0 )THEN\n INV_MWASO4 = REAL( 1.0/ aerospc_mw( ASO4_IDX ), 8 )\n ELSE\n INV_MWASO4 = 0D0\n END IF\n\n NO3_IDX = INDEX1( 'NO3', NUMB_MECH_SPC, CHEMISTRY_SPC )\n IF( NO3_IDX .GT. 0 )THEN\n MWTNO3 = REAL( SPECIES_MOLWT( NO3_IDX ), 8 )\n ELSE\n MWTNO3 = 62.01D0\n END IF\n CFACTOR_NO3 = DSQRT( 8.0D3 * REAL( RGASUNIV, 8 ) / ( MWTNO3 * DPI ) )\n\n GLY_IDX = INDEX1( 'GLY', NUMB_MECH_SPC, CHEMISTRY_SPC )\n IF( GLY_IDX .GT. 0 )THEN\n MWTGLY = REAL( SPECIES_MOLWT( GLY_IDX ), 8 )\n ELSE\n MWTGLY = 58.04D0\n END IF\n CFACTOR_GLY = DSQRT( 8.0D3 * REAL( RGASUNIV, 8 ) / ( MWTGLY * DPI ) )\n\n MGLY_IDX = INDEX1( 'MGLY', NUMB_MECH_SPC, CHEMISTRY_SPC )\n IF( MGLY_IDX .GT. 0 )THEN\n MWTMGLY = REAL( SPECIES_MOLWT( MGLY_IDX ), 8 )\n ELSE\n MWTMGLY = 72.07D0\n END IF\n CFACTOR_MGLY = DSQRT( 8.0D3 * REAL( RGASUNIV, 8 ) / ( MWTMGLY * DPI ) )\n\n HO2_IDX = INDEX1( 'HO2', NUMB_MECH_SPC, CHEMISTRY_SPC )\n IF( HO2_IDX .GT. 0 )THEN\n MWTHO2 = REAL( SPECIES_MOLWT( HO2_IDX ), 8 )\n ELSE\n MWTHO2 = 33.0D0\n END IF\n CFACTOR_HO2 = DSQRT( 8.0D3 * REAL( RGASUNIV, 8 ) / ( MWTHO2 * DPI ) )\n\nC *** Map to acids/nucleophiles for epoxide uptake\n INDX = INDEX1( NAMES_AERO_RATES( IA_IEPOX ), NHETERO, HETERO ) \n IF ( INDX .GT. 0 ) THEN ! Find indices for acid catalyzed species in IEPOX reaction\n If ( ( INDEX( MECHNAME, 'AE6I' ) .GT. 0 ) .OR.\n & ( INDEX( MECHNAME, 'AE7I' ) .GT. 0 ) ) then\n NUMVOC = 2 ! IEPOX + MAE/HMML\n N_NUCPAIRS = N_NUCPAIRS_AEI\n ALLOCATE ( ACID_NUC_PAIRS( N_NUCPAIRS ) )\n ACID_NUC_PAIRS = ACID_NUC_PAIRS_AEI\n Else If ( (INDEX( MECHNAME, 'CRACMM1') .GT. 0)\n & .OR. (INDEX( MECHNAME, 'CRACMM2') .GT. 0) ) then\n NUMVOC = 1\n N_NUCPAIRS = N_NUCPAIRS_CRCM\n ALLOCATE ( ACID_NUC_PAIRS( N_NUCPAIRS ) )\n ACID_NUC_PAIRS = ACID_NUC_PAIRS_CRCM\n Else ! AERO6/7 (condensed IEPOX SOA)\n NUMVOC = 1\n N_NUCPAIRS = N_NUCPAIRS_AE\n ALLOCATE ( ACID_NUC_PAIRS( N_NUCPAIRS ) )\n ACID_NUC_PAIRS = ACID_NUC_PAIRS_AE\n END IF\n ALLOCATE ( ACID_PRODMAP_IDX( N_NUCPAIRS ) )\n ALLOCATE ( ACID_NUCMAP_IDX( N_NUCPAIRS ) )\n ACID_PRODMAP_IDX = 0\n ACID_NUCMAP_IDX = 0\n DO N = 1, N_NUCPAIRS\n ACID_PRODMAP_IDX(N) = FINDAERO( ACID_NUC_PAIRS(N)%PROD, .TRUE. )\n ACID_NUCMAP_IDX(N) = FINDAERO( ACID_NUC_PAIRS(N)%NUC, .TRUE. )\n#ifdef verbose_aerosol_chemistry \n Write( logdev,'( 5x, a, i4 )' ) acid_nuc_pairs(n)%prod, acid_prodmap_idx(n)\n Write( logdev,'( 5x, a, i4 )' ) acid_nuc_pairs(n)%nuc, acid_nucmap_idx(n)\n#endif\n END DO\n END IF\n\n AERO_CHEM_SET = .TRUE.\n\n END IF ! first time condition\n\n KHETERO = 0.0D0\n \n IF ( L_ELMO ) THEN\n GAMMA_N2O5IJ = 0.0\n GAMMA_N2O5K = 0.0\n YCLNO2IJ = 0.0\n YCLNO2K = 0.0\n GAMMA_IEPOX = 0.0\n GAMMA_IMAE = 0.0\n KPARTIEPOX = 0.0\n END IF\n \nC *** Calculate rate constants at each grid cell location\n LOOP_LAY: DO L = 1, NLAYS\n LOOP_ROW: DO R = 1, NROWS\n LOOP_COL: DO C = 1, NCOLS\n \n#ifdef verbose_aerosol_chemistry \n IF ( L .EQ. 1 .AND. R .EQ. INT(NROWS/2)+1 .AND.\n & C .EQ. INT(NCOLS/2)+1 ) THEN\n DUMP_CELL = .TRUE.\n ELSE\n DUMP_CELL = .FALSE.\n END IF\n#endif \nC *** Extract aerosol concentrations and update aerosol volume, surface\nC area and diameter values.\n AIRDENS = DENS( C,R,L )\n\n CALL HETCHEM_EXTRACT_AERO( CGRID( C,R,L,: ), C, R, L,\n & WET_M2, WET_M3, DE_WET )\n\nC *** Load Meteorological Variables\n AIRTEMP = REAL( TEMP( C,R,L ), 8 )\n AIRPRES = REAL( PRESS( C,R,L ), 8 ) \n\nC *** to compute RH & molecular kinetic factors\n H2OVP = REAL( PRESS( C,R,L ) * WVAPOR( C,R,L )\n & / ( EPSWATER + WVAPOR( C,R,L ) ), 8 ) \n \n AIRRH = MAX( 0.005D0, MIN( 0.99D0, H2OVP * INV_ESATL( AIRTEMP ) ) )\n\n CBAR_COEFF = REAL( SQRT( CFACTOR * TEMP( C,R,L ) ), 8) \n \n ADJUST_DIFF = REAL( ( TEMP( C,R,L ) * INV_STDTEMP ) ** 1.75 * ( STDATMPA / PRESS( C,R,L ) ), 8 )\n\n IF ( PRESENT( DENS ) ) THEN\n PPM_FACTOR = 1.0D-3 * REAL( MWAIR / DENS( C,R,L ), 8 )\n ELSE\n PPM_FACTOR = UGM3_CONV_FAC * REAL( TEMP( C,R,L ) / PRESS( C,R,L ), 8 )\n END IF\n \n RFACTOR = 60.0D0 * COEF1 * REAL( PRESS( C,R,L ) / TEMP( C,R,L ), 8 )\n\nC *** calculate molecular speeds (m/s) using Eq 4 of Pleim et al (1995)\n CBAR = CBAR_COEFF * INV_SQRT_MWN2O5\n CBARNO3 = CFACTOR_NO3 * DSQRT( AIRTEMP )\n CBARGLY = CFACTOR_GLY * DSQRT( AIRTEMP )\n CBARMGLY = CFACTOR_MGLY * DSQRT( AIRTEMP )\n CBARHO2 = CFACTOR_HO2 * DSQRT( AIRTEMP )\n\n CBAR_CLNO3 = CBAR_COEFF * INV_SQRT_MWCLNO3\n CBAR_HBR = CBAR_COEFF * INV_SQRT_MWHBR\n CBAR_BRNO3 = CBAR_COEFF * INV_SQRT_MWBRNO3 \n CBAR_BRNO2 = CBAR_COEFF * INV_SQRT_MWBRNO2\n CBAR_HOBR = CBAR_COEFF * INV_SQRT_MWHOBR \n CBAR_I2O2 = CBAR_COEFF * INV_SQRT_MWI2O2\n CBAR_I2O3 = CBAR_COEFF * INV_SQRT_MWI2O3\n CBAR_I2O4 = CBAR_COEFF * INV_SQRT_MWI2O4\n CBAR_INO3 = CBAR_COEFF * INV_SQRT_MWINO3\n CBAR_INO2 = CBAR_COEFF * INV_SQRT_MWINO2\n CBAR_HOI = CBAR_COEFF * INV_SQRT_MWHOI\n\nC *** correct N2O5 molecular diffusivity for ambient conditions\n\n INV_DIFFUSIVITY = 1.0D0 / ( STD_DIFF_N2O5 * ADJUST_DIFF )\n\nC *** correct molecular diffusivity for ambient conditions - assumed similar to that of N2O5\n\n INV_DIFF_CLNO3 = 1.0D0 / ( STD_DIFF_CLNO3 * ADJUST_DIFF )\n INV_DIFF_HBR = 1.0D0 / ( STD_DIFF_HBR * ADJUST_DIFF )\n INV_DIFF_BRNO3 = 1.0D0 / ( STD_DIFF_BRNO3 * ADJUST_DIFF )\n INV_DIFF_BRNO2 = 1.0D0 / ( STD_DIFF_BRNO2 * ADJUST_DIFF )\n INV_DIFF_HOBR = 1.0D0 / ( STD_DIFF_HOBR * ADJUST_DIFF )\n INV_DIFF_I2O2 = 1.0D0 / ( STD_DIFF_I2O2 * ADJUST_DIFF )\n INV_DIFF_I2O3 = 1.0D0 / ( STD_DIFF_I2O3 * ADJUST_DIFF )\n INV_DIFF_I2O4 = 1.0D0 / ( STD_DIFF_I2O4 * ADJUST_DIFF )\n INV_DIFF_INO3 = 1.0D0 / ( STD_DIFF_INO3 * ADJUST_DIFF )\n INV_DIFF_INO2 = 1.0D0 / ( STD_DIFF_INO2 * ADJUST_DIFF )\n INV_DIFF_HOI = 1.0D0 / ( STD_DIFF_HOI * ADJUST_DIFF )\n\nC *** get KN2O5 rate constants YIELD_CLNO2 for each mode\n YIELD_CLNO2 = 0.0D0\n YIELDIJ = 0.0D0\n\n DO N = 1, N_MODE \n\n IF ( N .LE. 2 ) THEN\n GAMMA = N2O5_GAMMA( AIRTEMP, AIRRH, 0 )\n IF ( L_ELMO ) GAMMA_N2O5IJ( C,R,L ) = REAL( GAMMA, 4 )\n ELSE IF ( N .EQ. 3 ) THEN\n GAMMA = N2O5_GAMMA( AIRTEMP, AIRRH, 5 )\n IF ( L_ELMO ) GAMMA_N2O5K( C,R,L ) = REAL( GAMMA, 4 )\n ELSE\n GAMMA = 0.0D0\n END IF\n \n XXF( N ) = WET_M2( N )\n & / ( 4.0D0 + 0.5D0 * DE_WET( N ) * GAMMA * CBAR * INV_DIFFUSIVITY )\n \n KN2O5( N ) = GAMMA * XXF( N )\n\n IF ( GAMMA_NO3 .GT. 0.0D0 ) THEN\n KNO3( N ) = GAMMA_NO3 * WET_M2( N ) \n & / ( 4.0D0 + 0.5D0 * DE_WET( N ) * GAMMA_NO3 \n & * CBARNO3 * INV_DIFFUSIVITY ) * CBARNO3 * DPI\n ELSE\n KNO3( N ) = 0.0d0\n END IF\n\n IF( GAMMA_GLY .GT. 0.0D0) THEN\n KGLY( N ) = GAMMA_GLY * WET_M2( N ) \n & / ( 4.0D0 + 0.5D0 * DE_WET( N ) * GAMMA_GLY \n & * CBARGLY * INV_DIFFUSIVITY ) * CBARGLY * DPI\n ! scale MGLY uptake by relative H-law (Marais et\n ! al. ACPD approach) implemented 1/2016 H. Pye\n KMGLY( N ) = 0.09 * GAMMA_GLY * WET_M2( N ) \n & / ( 4.0D0 + 0.5D0 * DE_WET( N ) * 0.09 * GAMMA_GLY \n & * CBARMGLY * INV_DIFFUSIVITY ) * CBARMGLY * DPI\n ELSE\n KGLY( N ) = 0.0D0\n KMGLY( N ) = 0.0D0\n END IF\n\n IF( GAMMA_HO2 .GT. 0.0D0) THEN\n KHO2( N ) = GAMMA_HO2 * WET_M2( N )\n & / ( 4.0D0 + 0.5D0 * DE_WET( N ) * GAMMA_HO2\n & * CBARHO2 * INV_DIFFUSIVITY ) * CBARHO2 * DPI\n ELSE\n KHO2( N ) = 0.0D0\n END IF\n\n\nc *** get fine aerosol H2O and chlorine concentrations in\n AH2O = aerospc_conc( AH2O_IDX,N )\n ACL = aerospc_conc( ACL_IDX, N )\n CL_PPM( N ) = PPM_FACTOR * ( ACL * INV_MWCL )\n\n If ( Index( mechname, 'CB6R5M_AE7_AQ' ) .Gt. 0 ) Then \n ABR = aerospc_conc( ABR_IDX, N ) \n INV_MWBR = REAL( 1.0 / aerospc_mw( ABR_IDX ), 8 ) \n BR_PPM( N ) = PPM_FACTOR * ( ABR * INV_MWBR ) \n Else\n BR_PPM( N ) = 0.0D0 \n End If\n\nC *** If only a small amount of water is present on aerosol, keep YIELD_CLNO2 zero\n IF ( AH2O .GT. 5.0E-01 .AND. ACL .GT. 1.0E-04 ) THEN\n IF ( MWH2OCL * ACL .GT. 1.0E-4 * AH2O ) THEN \n YIELD_CLNO2( N ) = 1.0D0\n & / ( 1.0D0 + ( 1.0D0 / 483.0D0 ) * ( AH2O / ACL ) * MWCLH2O )\n END IF\n END IF\n \n END DO ! End each mode \n\nc *** compute yield from lumped Aitken and Accumulations concentrations\n AH2O = aerospc_conc( AH2O_IDX,1 ) + aerospc_conc( AH2O_IDX,2 )\n ACL = aerospc_conc( ACL_IDX,1 ) + aerospc_conc( ACL_IDX,2 )\n IF ( AH2O .GT. 5.0E-01 .AND. ACL .GT. 1.0E-04 ) THEN\n IF ( MWH2OCL * ACL .GT. 1.0E-4 * AH2O ) THEN \n YIELDIJ = 1.0D0 / ( 1.0D0 + ( 1.0D0 / 483.0D0 )\n & * REAL( ( AH2O / ACL ) * MWCLH2O, 8 ) )\n END IF\n END IF \n \n KN2O5 = CBAR * DPI * KN2O5\nC *** calculate aerosol surface area\n TOTSURFA = ( WET_M2( 1 ) + WET_M2( 2 ) ) * DPI\n\nC *** Calculate IEPOX and MAE uptake information for accumulation mode\n RADIUS_I = 0.5D0 * DE_WET( 1 ) ! particle size - i-mode\n RADIUS = 0.5D0 * DE_WET( 2 ) ! particle size - j-mode\n\nC *** Calculate approximate seasalt surface area, m2/m3\nC *** Main components of Seasalt are: NA, CL, MG, K, CA, SO4\nC *** However, SO4 over seawater can generate from other sources\nC *** Fo SO4, use SO4/NA emissions ratio in seasalt\n\n MARINE_AREA = ( OCEAN( C,R ) + SZONE( C,R ) )\n\n IF ( MARINE_AREA .GT. 0.0 ) THEN\n SSALT_VOL = 1.0D-9 * ( Real ( aerospc_conc( ANA_IDX,2 ) / aerospc(ANA_IDX)%density, 8 ) + ! NAJ - m3/m3\n @ Real ( aerospc_conc( ACL_IDX,2 ) / aerospc(ACL_IDX)%density, 8 ) + ! CLJ - m3/m3\n @ Real ( aerospc_conc( AMG_IDX,2 ) / aerospc(AMG_IDX)%density, 8 ) + ! MGJ - m3/m3\n @ Real ( aerospc_conc( AK_IDX,2 ) / aerospc(AK_IDX)%density, 8 ) + ! KJ - m3/m3\n @ Real ( aerospc_conc( ACA_IDX,2 ) / aerospc(ACA_IDX)%density, 8 ) + ! CAJ - m3/m3\n @ Real ( 0.2514 * aerospc_conc( ANA_IDX,2 ) / aerospc(ASO4_IDX)%density, 8) ) ! SO4 - m3/m3 - use SO4/NA ratio in seasalt\n\n SSALT_SURFA = ( 3.0D0 * SSALT_VOL / RADIUS ) * DEXP ( 0.5D0 * AEROMODE_LNSG( 2 ) * AEROMODE_LNSG( 2 ) )\n ELSE\n SSALT_SURFA = 0.0\n ENDIF\n\nC *** calculate GAMMA_HBR \n GAMMA_HBR = 1.3D-8 * DEXP ( 4290/ AIRTEMP) \n INV_GAMMA_HBR = 1.0D0 / GAMMA_HBR\n \nC *** set up variables needed for calculating K_BRONO2 \n CLNO3_H2O_RXN_TIME = 4.0D0 * INV_GAMMA_CLNO3_H2O / CBAR_CLNO3\n HBR_RXN_TIME = 4.0D0 * INV_GAMMA_HBR / CBAR_HBR \n BRNO3_H2O_RXN_TIME = 4.0D0 * INV_GAMMA_BRNO3_H2O / CBAR_BRNO3\n HOBR_ASS_RXN_TIME = 4.0D0 * INV_GAMMA_HOBR_ASS / CBAR_HOBR\n BRNO3_RXN_TIME = 4.0D0 * INV_GAMMA_BRNO3 / CBAR_BRNO3\n BRNO2_RXN_TIME = 4.0D0 * INV_GAMMA_BRNO2 / CBAR_BRNO2\n I2O2_RXN_TIME = 4.0D0 * INV_GAMMA_I2O2 / CBAR_I2O2\n I2O3_RXN_TIME = 4.0D0 * INV_GAMMA_I2O3 / CBAR_I2O3\n I2O4_RXN_TIME = 4.0D0 * INV_GAMMA_I2O4 / CBAR_I2O4\n INO3_RXN_TIME = 4.0D0 * INV_GAMMA_INO3 / CBAR_INO3\n INO2_RXN_TIME = 4.0D0 * INV_GAMMA_INO2 / CBAR_INO2\n HOI_RXN_TIME = 4.0D0 * INV_GAMMA_HOI / CBAR_HOI\n \n CBARIEPOX = CFACTOR_IEPOX * DSQRT( AIRTEMP )\n CBARIMAE = CFACTOR_IMAE * DSQRT( AIRTEMP )\n\n ! Rate constants and concentrations\n CALL CALCISOPGAMMAS( RADIUS, AIRTEMP, GAMMAIEPOX,\n & GAMMAIMAE, KPIEPOX, FH2O, FOS, FDIM1, FDIM2)\n\n IF( GAMMAIEPOX .GT. 1.0D-72 ) THEN\n KIEPOX = WET_M2( 2 ) * DPI\n & / ( RADIUS * INV_DIFFUSIVITY + 4.0D0 / ( CBARIEPOX * GAMMAIEPOX) )\n If ( AIETET_IDX .GT. 0 ) Then\n TETROL_PPM = PPM_FACTOR\n & * REAL( aerospc_conc( AIETET_IDX,2 ), 8 ) * INV_MWIETET\n Else\n TETROL_PPM = 0.0D0\n End If \n If ( AIEOS_IDX .GT. 0 ) Then\n IEPOXOS_PPM = PPM_FACTOR\n & * REAL( aerospc_conc( AIEOS_IDX,2 ), 8 ) * INV_MWIEOS\n Else\n IEPOXOS_PPM = 0.0D0\n End If\n If ( ASO4_IDX .GT. 0 ) Then\n ASO4J_PPM = PPM_FACTOR\n & * REAL( aerospc_conc( ASO4_IDX,2 ), 8 ) * INV_MWASO4\n Else\n ASO4J_PPM = 0.0D0\n End If\n ELSE\n KIEPOX = 0.0D0\n TETROL_PPM = 0.0D0\n IEPOXOS_PPM = 0.0D0\n ASO4J_PPM = 0.0D0\n END IF\n\n IF( GAMMAIMAE .GT. 1.0D-72 ) THEN\n KIMAE = WET_M2( 2 ) * DPI\n & / ( RADIUS * INV_DIFFUSIVITY + 4.0D0 / ( CBARIMAE * GAMMAIMAE ) )\n ELSE\n KIMAE = 0.0d0\n END IF\n\n ! Diagnostic information\n IF ( L_ELMO ) GAMMA_IEPOX( C,R,L ) = REAL( GAMMAIEPOX,4 )\n IF ( L_ELMO ) GAMMA_IMAE( C,R,L ) = REAL( GAMMAIMAE, 4 )\n IF ( L_ELMO ) KPARTIEPOX( C,R,L ) = REAL( KPIEPOX, 4 )\n\n LOOP_RATES: DO IRATE = 1, SELECTED_AERO_RATES\n \n SELECT CASE( WHICH_AERO_RATE( IRATE ) )\n CASE( IA_N2O5IJ ) \n KHETERO( IRATE, C,R,L ) = 60.0D0 * ( KN2O5( 1 ) + KN2O5( 2 ) )! convert to min-1\n \n CASE( IA_N2O5K ) \n KHETERO( IRATE, C,R,L ) = 60.0D0 * KN2O5 (3) ! convert to min-1\n \n CASE( IA_N2O5J ) \n KHETERO( IRATE, C,R,L ) = 60.0D0 * KN2O5 (2) ! convert to min-1\n \n CASE( IA_N2O5I ) \n KHETERO( IRATE, C,R,L ) = 60.0D0 * KN2O5 (1) ! convert to min-1\n \n CASE( IA_N2O5IJY ) \n KHETERO( IRATE, C,R,L ) = 60.0D0 * YIELDIJ * ( KN2O5( 1 ) + KN2O5( 2 ) ) ! convert to min-1\n IF ( L_ELMO ) YCLNO2IJ( C,R,L ) = REAL( YIELDIJ, 4 )\n\n CASE( IA_N2O5KY ) \n KHETERO( IRATE, C,R,L ) = 60.0D0 * YIELD_CLNO2( 3 ) * KN2O5( 3 ) \n IF ( L_ELMO ) YCLNO2K( C,R,L ) = REAL( YIELD_CLNO2( 3 ), 4 )\n\n CASE( IA_H2NO3PAIJ ) \n KHETERO( IRATE, C,R,L ) = 60.0D0 * AQUEOUS_FREQUENCY\n & * MAX( ( 1.0D0 - YIELDIJ ), 0.0D0 ) \n IF ( L_ELMO ) YCLNO2IJ( C,R,L ) = REAL( YIELDIJ, 4 )\n \n CASE( IA_H2NO3PBIJ ) \n IF ( YIELDIJ .GT. 0.0D0 ) THEN\n KHETERO( IRATE, C,R,L ) = 60.0D0 * AQUEOUS_FREQUENCY * YIELDIJ \n & / ( CL_PPM( 1 ) + CL_PPM( 2 ) ) ! 1/(min*ppm)\n ELSE\n KHETERO( IRATE, C,R,L ) = 0.0D0\n END IF\n \n CASE( IA_H2NO3PAI )\n KHETERO( IRATE, C,R,L ) = 60.0D0 * AQUEOUS_FREQUENCY\n & * MAX( ( 1.0D0 - YIELD_CLNO2( 1 ) ), 0.0D0 ) \n\n CASE( IA_H2NO3PBI )\n IF ( YIELD_CLNO2( 1 ) .GT. 0.0D0 ) THEN\n KHETERO( IRATE, C,R,L ) = 60.0D0 * AQUEOUS_FREQUENCY\n & * YIELD_CLNO2( 1 ) / CL_PPM( 1 ) ! (min*ppm)-1\n IF ( L_ELMO ) THEN\n FACTOR = CL_PPM( 1 ) / ( CL_PPM( 1 )+ CL_PPM( 2 ) )\n YCLNO2IJ( C,R,L ) = REAL( FACTOR * YIELD_CLNO2( 1 ), 4 ) \n & + YCLNO2IJ( C,R,L )\n END IF\n ELSE\n KHETERO( IRATE, C,R,L ) = 0.0D0\n END IF \n \n CASE( IA_H2NO3PAJ )\n KHETERO( IRATE, C,R,L ) = 60.0D0 * AQUEOUS_FREQUENCY\n & * MAX( ( 1.0D0 - YIELD_CLNO2( 2 ) ), 0.0D0 ) \n \n CASE( IA_H2NO3PBJ )\n IF ( YIELD_CLNO2( 2 ) .GT. 0.0D0 ) THEN\n KHETERO( IRATE, C,R,L ) = 60.0D0 * AQUEOUS_FREQUENCY\n & * YIELD_CLNO2( 2 ) / CL_PPM( 2 ) ! (min*ppm)-1\n IF ( L_ELMO ) THEN\n FACTOR = CL_PPM( 2 ) / ( CL_PPM( 1 )+ CL_PPM( 2 ) )\n YCLNO2IJ( C,R,L ) = YCLNO2IJ( C,R,L ) + REAL( FACTOR * YIELD_CLNO2( 2 ), 4 ) \n END IF \n ELSE\n KHETERO( IRATE, C,R,L ) = 0.0D0\n END IF \n \n CASE( IA_PNCOMLI )\n POC = aerospc_conc( APOC_IDX,1 )\n PNCOM = aerospc_conc( APNCOM_IDX,1 )\n KHETERO( IRATE, C,R,L ) = RFACTOR * PNCOM_LOSS( POC, PNCOM )\n \n CASE( IA_PNCOMLJ )\n POC = aerospc_conc( APOC_IDX,2 )\n PNCOM = aerospc_conc( APNCOM_IDX,2 )\n KHETERO( IRATE, C,R,L ) = RFACTOR * PNCOM_LOSS( POC, PNCOM )\n\n CASE( IA_H2NO3PAK )\n KHETERO( IRATE, C,R,L ) = 60.0D0 * AQUEOUS_FREQUENCY\n & * MAX( ( 1.0D0 - YIELD_CLNO2( 3 ) ), 0.0D0 ) ! * KN2O5( 3 )\n \n CASE( IA_H2NO3PBK )\n IF ( YIELD_CLNO2( 3 ) .GT. 0.0D0 ) THEN\n KHETERO( IRATE, C,R,L ) = 60.0D0 * AQUEOUS_FREQUENCY\n & * YIELD_CLNO2( 3 ) / CL_PPM( 3 ) ! (min*ppm)-1\n IF ( L_ELMO ) YCLNO2K( C,R,L ) = REAL( YIELD_CLNO2( 3 ), 4 ) \n ELSE\n KHETERO( IRATE, C,R,L ) = 0.0D0\n END IF \n \n CASE( IA_NO2 )\nC *** calculate pseudo-first order rate constant for NO2 loss using Eq 1 of Vogel\nC et al. (2003). Units of KNO2 is in 1/min in the paper; divide it\nC by 60 to convert it into 1/sec\n KNO2 = MAX ( 0.0D0, 1.0D-04 * TOTSURFA )\n KHETERO( IRATE, C,R,L ) = 60.0D0 * KNO2 ! convert to min-1\n\nC *** Isoprene epoxide uptake\n CASE( IA_IEPOX )\n KHETERO( IRATE, C,R,L ) = 60.0D0 * KIEPOX ! min-1\n\n CASE( IA_TETROL )\n KHETERO( IRATE, C,R,L ) = 60.0D0 * AQUEOUS_FREQUENCY * FH2O( 1 )\n\n CASE( IA_IEPOXOS )\n IF ( ASO4J_PPM .GT. 0.0D0 ) THEN\n KHETERO( IRATE, C,R,L ) = 60.0D0 * AQUEOUS_FREQUENCY \n & * FOS( 1 ) / ASO4J_PPM\n ELSE\n KHETERO( IRATE, C,R,L ) = 0.0D0\n END IF\n\n CASE( IA_TETROLDIM )\n IF ( TETROL_PPM .GT. 0.0D0 ) THEN\n KHETERO( IRATE, C,R,L ) = 60.0D0 * AQUEOUS_FREQUENCY\n & * FDIM1( 1 ) / TETROL_PPM ! min*ppm-1 \n ELSE\n KHETERO( IRATE, C,R,L ) = 0.0D0\n END IF\n\n CASE( IA_IEPOXOSDI )\n IF ( IEPOXOS_PPM .GT. 0.0D0 ) THEN\n KHETERO( IRATE, C,R,L ) = 60.0D0 * AQUEOUS_FREQUENCY\n & * FDIM2( 1 ) / IEPOXOS_PPM ! min*ppm-1\n ELSE\n KHETERO( IRATE, C,R,L ) = 0.0D0\n END IF\n\n CASE( IA_IMAE )\n KHETERO( IRATE, C,R,L ) = 60.0D0 * KIMAE ! min-1\n\n CASE( IA_2MG )\n KHETERO( IRATE, C,R,L ) = 60.0D0 * AQUEOUS_FREQUENCY * FH2O(2)\n\n CASE( IA_IMAEOS )\n IF ( ASO4J_PPM .GT. 0.0D0 ) THEN\n KHETERO( IRATE, C,R,L ) = 60.0D0 * AQUEOUS_FREQUENCY \n & * FOS(2) / ASO4J_PPM\n ELSE\n KHETERO( IRATE, C,R,L ) = 0.0D0\n END IF\n\n\nC *** CRACMM1 Implementation of sulfated and non-sulfated IEPOX-SOA\n\n CASE( IA_ISO3NOSJ )\n KHETERO( IRATE, C,R,L ) = 60.0D0 * AQUEOUS_FREQUENCY * FH2O( 1 )\n\n CASE( IA_ISO3OSJ )\n IF ( ASO4J_PPM .GT. 0.0D0 ) THEN\n KHETERO( IRATE, C,R,L ) = 60.0D0 * AQUEOUS_FREQUENCY\n & * FOS( 1 ) / ASO4J_PPM\n ELSE\n KHETERO( IRATE, C,R,L ) = 0.0D0\n END IF\n\n\n CASE( IA_NO3 )\n KHETERO( IRATE, C,R,L ) = 60.0D0 * ( KNO3( 1 ) + KNO3( 2 ) ) ! min-1\n\n CASE( IA_GLY )\n KHETERO( IRATE, C,R,L ) = 60.0D0 * ( KGLY( 2 ) ) ! min-1\n\n CASE( IA_MGLY )\n KHETERO( IRATE, C,R,L ) = 60.0D0 * ( KMGLY( 2 ) ) ! min-1\n \n CASE( IA_HO2 )\n KHETERO( IRATE, C,R,L ) = 60.0D0 * ( KHO2( 2 ) ) ! min-1\n\n CASE( IA_NTR2 )\nC *** calculate gas-particle partitioning of NTR2\n CON_TOA = SUM( SUM( AEROSPC_CONC( :,1:2 ),2 ), \n & MASK = ( AEROSPC( : )%OM .AND. .NOT. AEROSPC( : )%TRACER ) )\n \n F_PART_NTR2 = 0.0\n IF ( CON_TOA .GE. MIN_TOA ) THEN\n F_PART_NTR2 = ON_ALPHA1 / ( 1.0 + ON_CSTAR1 / CON_TOA )\n & + ON_ALPHA2 / ( 1.0 + ON_CSTAR2 / CON_TOA )\n END IF\n\nC *** calculate pseudo-first order rate constant for heterogeneous NTR2\nC hydrolysis\n IF ( AIRRH .LE. 0.2D0 .OR. F_PART_NTR2 .LE. 0.0 ) THEN\n KHETERO( IRATE, C, R, L ) = 0.0D0\n ELSE IF ( AIRRH .GE. 0.4D0 ) THEN\n KHETERO( IRATE, C, R, L ) = REAL( F_PART_NTR2 * KHON, 8 ) ! [1/min]\n ELSE\n KHETERO( IRATE, C, R, L ) = REAL( F_PART_NTR2 * KHON, 8 ) ! [1/min]\n & * ( 5.0D0 * AIRRH - 1.0D0 )\n END IF\n\n CASE( IA_CLNO3_WAI )\n KHETERO( IRATE, C,R,L ) = 60.0D0 * WET_M2( 1 ) * DPI / ( RADIUS_I * INV_DIFF_CLNO3 + CLNO3_H2O_RXN_TIME )\n\n CASE( IA_CLNO3_WAJ ) \n KHETERO( IRATE, C,R,L ) = 60.0D0 * WET_M2( 2 ) * DPI / ( RADIUS * INV_DIFF_CLNO3 + CLNO3_H2O_RXN_TIME ) \n\n CASE( IA_HBR_BRJ )\n KHETERO( IRATE, C,R,L ) = 60.0D0 * SSALT_SURFA / ( RADIUS * INV_DIFF_HBR + HBR_RXN_TIME ) ! use sea-salt surface area\n\n CASE( IA_BRNO3_WAI )\n KHETERO( IRATE, C,R,L ) = 60.0D0 * WET_M2( 1 ) * DPI / ( RADIUS_I * INV_DIFF_BRNO3 + BRNO3_H2O_RXN_TIME )\n\n CASE( IA_BRNO3_WAJ )\n KHETERO( IRATE, C,R,L ) = 60.0D0 * WET_M2( 2 ) * DPI / ( RADIUS * INV_DIFF_BRNO3 + BRNO3_H2O_RXN_TIME )\n\n CASE( IA_HOBR_CLJ )\n K1 = 0.35 * SSALT_SURFA / ( RADIUS * INV_DIFF_HOBR + HOBR_ASS_RXN_TIME ) ! use sea-salt surface area\n IF ( CL_PPM (2) .GT. MIN_VALUE ) THEN\n KHETERO( IRATE, C,R,L ) = 60.0D0 * K1 / CL_PPM (2) \n ELSE\n KHETERO( IRATE, C,R,L ) = 0.0D0 \n ENDIF\n\n CASE( IA_HOBR_BRJ )\n K1 = 0.65 * SSALT_SURFA / ( RADIUS * INV_DIFF_HOBR + HOBR_ASS_RXN_TIME ) ! use sea-salt surface area\n IF ( BR_PPM (2) .GT. MIN_VALUE ) THEN\n KHETERO( IRATE, C,R,L ) = 60.0D0 * K1 / BR_PPM (2)\n ELSE\n KHETERO( IRATE, C,R,L ) = 0.0D0 \n ENDIF\n\n CASE( IA_BRNO3_CLJ )\n K1 = 0.35 * SSALT_SURFA / ( RADIUS * INV_DIFF_BRNO3 + BRNO3_RXN_TIME ) ! use sea-salt surface area\n IF ( CL_PPM (2) .GT. MIN_VALUE ) THEN\n KHETERO( IRATE, C,R,L ) = 60.0D0 * K1 / CL_PPM (2) ! 1/(min*ppm)\n ELSE\n KHETERO( IRATE, C,R,L ) = 0.0D0\n ENDIF\n\n CASE( IA_BRNO3_BRJ )\n K1 = 0.65 * SSALT_SURFA / ( RADIUS * INV_DIFF_BRNO3 + BRNO3_RXN_TIME ) ! use sea-salt surface area\n IF ( BR_PPM (2) .GT. MIN_VALUE ) THEN\n KHETERO( IRATE, C,R,L ) = 60.0D0 * K1 / BR_PPM (2) ! 1/(min*ppm)\n ELSE\n KHETERO( IRATE, C,R,L ) = 0.0D0\n ENDIF\n\n CASE( IA_BRNO2_CLJ )\n K1 = 0.35 * SSALT_SURFA / ( RADIUS * INV_DIFF_BRNO2 + BRNO2_RXN_TIME ) ! use sea-salt surface area\n IF ( CL_PPM (2) .GT. MIN_VALUE ) THEN\n KHETERO( IRATE, C,R,L ) = 60.0D0 * K1 / CL_PPM (2) ! 1/(min*ppm)\n ELSE\n KHETERO( IRATE, C,R,L ) = 0.0D0\n ENDIF\n\n CASE( IA_BRNO2_BRJ )\n K1 = 0.65 * SSALT_SURFA / ( RADIUS * INV_DIFF_BRNO2 + BRNO2_RXN_TIME ) ! use sea-salt surface area\n IF ( BR_PPM (2) .GT. MIN_VALUE ) THEN\n KHETERO( IRATE, C,R,L ) = 60.0D0 * K1 / BR_PPM (2) ! 1/(min*ppm)\n ELSE\n KHETERO( IRATE, C,R,L ) = 0.0D0\n ENDIF\n\n CASE( IA_I2O2_AI )\n KHETERO( IRATE, C,R,L ) = 60.0D0 * WET_M2( 1 ) * DPI / ( RADIUS_I * INV_DIFF_I2O2 + I2O2_RXN_TIME )\n\n CASE( IA_I2O2_AJ )\n KHETERO( IRATE, C,R,L ) = 60.0D0 * WET_M2( 2 ) * DPI / ( RADIUS * INV_DIFF_I2O2 + I2O2_RXN_TIME ) \n\n CASE( IA_I2O3_AI )\n KHETERO( IRATE, C,R,L ) = 60.0D0 * WET_M2( 1 ) * DPI / ( RADIUS_I * INV_DIFF_I2O3 + I2O3_RXN_TIME )\n\n CASE( IA_I2O3_AJ ) \n KHETERO( IRATE, C,R,L ) = 60.0D0 * WET_M2( 2 ) * DPI / ( RADIUS * INV_DIFF_I2O3 + I2O3_RXN_TIME )\n\n CASE( IA_I2O4_AI )\n KHETERO( IRATE, C,R,L ) = 60.0D0 * WET_M2( 1 ) * DPI / ( RADIUS_I * INV_DIFF_I2O4 + I2O4_RXN_TIME )\n\n CASE( IA_I2O4_AJ )\n KHETERO( IRATE, C,R,L ) = 60.0D0 * WET_M2( 2 ) * DPI / ( RADIUS * INV_DIFF_I2O4 + I2O4_RXN_TIME ) \n\n CASE( IA_INO3_CLJ ) \n K1 = 0.5 * SSALT_SURFA / ( RADIUS * INV_DIFF_INO3 + INO3_RXN_TIME ) ! use sea-salt surface area\n IF ( CL_PPM (2) .GT. MIN_VALUE ) THEN\n KHETERO( IRATE, C,R,L ) = 60.0D0 * K1 / CL_PPM (2) ! 1/(min*ppm)\n ELSE\n KHETERO( IRATE, C,R,L ) = 0.0D0 \n ENDIF\n\n CASE( IA_INO3_BRJ )\n K1 = 0.5 * SSALT_SURFA / ( RADIUS * INV_DIFF_INO3 + INO3_RXN_TIME ) ! use sea-salt surface area\n IF ( BR_PPM (2) .GT. MIN_VALUE ) THEN\n KHETERO( IRATE, C,R,L ) = 60.0D0 * K1 / BR_PPM (2) ! 1/(min*ppm)\n ELSE\n KHETERO( IRATE, C,R,L ) = 0.0D0 \n ENDIF\n\n CASE( IA_INO2_CLJ )\n K1 = 0.5 * SSALT_SURFA / ( RADIUS * INV_DIFF_INO2 + INO2_RXN_TIME ) ! use sea-salt surface area\n IF ( CL_PPM (2) .GT. MIN_VALUE ) THEN\n KHETERO( IRATE, C,R,L ) = 60.0D0 * K1 / CL_PPM (2) ! 1/(min*ppm)\n ELSE\n KHETERO( IRATE, C,R,L ) = 0.0D0 \n ENDIF\n\n CASE( IA_INO2_BRJ )\n K1 = 0.5 * SSALT_SURFA / ( RADIUS * INV_DIFF_INO2 + INO2_RXN_TIME ) ! use sea-salt surface area\n IF ( BR_PPM (2) .GT. MIN_VALUE ) THEN\n KHETERO( IRATE, C,R,L ) = 60.0D0 * K1 / BR_PPM (2) ! 1/(min*ppm)\n ELSE\n KHETERO( IRATE, C,R,L ) = 0.0D0 \n ENDIF\n\n CASE( IA_HOI_CLJ ) \n K1 = 0.5 * SSALT_SURFA / ( RADIUS * INV_DIFF_HOI + HOI_RXN_TIME ) ! use sea-salt surface area\n IF ( CL_PPM (2) .GT. MIN_VALUE ) THEN\n KHETERO( IRATE, C,R,L ) = 60.0D0 * K1 / CL_PPM (2) ! 1/(min*ppm)\n ELSE\n KHETERO( IRATE, C,R,L ) = 0.0D0 \n ENDIF \n\n CASE( IA_HOI_BRJ ) \n K1 = 0.5 * SSALT_SURFA / ( RADIUS * INV_DIFF_HOI + HOI_RXN_TIME ) ! use sea-salt surface area\n IF ( BR_PPM (2) .GT. MIN_VALUE ) THEN\n KHETERO( IRATE, C,R,L ) = 60.0D0 * K1 / BR_PPM (2) ! 1/(min*ppm)\n ELSE\n KHETERO( IRATE, C,R,L ) = 0.0D0 \n ENDIF\n\n END SELECT\n\n END DO LOOP_RATES\n\n#ifdef verbose_aerosol_chemistry\n IF ( DUMP_CELL ) THEN\n\n WRITE( LOGDEV,* ) 'In GAS HETCHEM for MYPE = ', MYPE\n WRITE( LOGDEV,9499 ) C,R,L\n WRITE( LOGDEV,9500 ) 'TEMP = ', AIRTEMP\n WRITE( LOGDEV,9500 ) 'AIRRH = ', AIRRH\n WRITE( LOGDEV,9500 ) 'DIFFUSIVITY = ', 1.0 / INV_DIFFUSIVITY\n WRITE( LOGDEV,9500 ) 'INV_SQRT_MWN2O5 = ', INV_SQRT_MWN2O5\n WRITE( LOGDEV,9500 ) 'CBAR_COEFF = ', CBAR_COEFF\n WRITE( LOGDEV,9500 ) 'CBAR = ', CBAR\n WRITE( LOGDEV,9500 ) 'PPM_FACTORA = ',\n & UGM3_CONV_FAC * REAL( TEMP( C,R,L ) / PRESS( C,R,L ), 8 )\n WRITE( LOGDEV,9500 ) 'PPM_FACTOR = ', PPM_FACTOR\n WRITE( LOGDEV,9500 ) 'PPM_FACTOR*INV_MWCL = ', PPM_FACTOR * INV_MWCL\n WRITE( LOGDEV,9500 ) 'PPM_FACTORA*INV_MWCL = ',\n & UGM3_CONV_FAC * REAL( TEMP( C,R,L ) / PRESS( C,R,L ), 8 ) * INV_MWCL\n WRITE( LOGDEV,9500 ) 'ACLI_PPM = ', CL_PPM( 1 )\n WRITE( LOGDEV,9500 ) 'ACLJ_PPM = ', CL_PPM( 2 )\n WRITE( LOGDEV,9500 ) 'ACLK_PPM = ', CL_PPM( 3 )\n WRITE( LOGDEV,9500 ) 'ANH4I = ', aerospc_conc( ANH4_IDX,1 ) \n WRITE( LOGDEV,9500 ) 'ANO3I = ', aerospc_conc( ANO3_IDX,1 ) \n WRITE( LOGDEV,9500 ) 'ASO4I = ', aerospc_conc( ASO4_IDX,1 ) \n WRITE( LOGDEV,9500 ) 'ACLI = ', aerospc_conc( ACL_IDX,1 ) \n WRITE( LOGDEV,9500 ) 'AH2OI = ', aerospc_conc( AH2O_IDX,1 ) \n WRITE( LOGDEV,9500 ) 'ANH4J = ', aerospc_conc( ANH4_IDX,2 ) \n WRITE( LOGDEV,9500 ) 'ANO3J = ', aerospc_conc( ANO3_IDX,2 ) \n WRITE( LOGDEV,9500 ) 'ASO4J = ', aerospc_conc( ASO4_IDX,2 ) \n WRITE( LOGDEV,9500 ) 'ACLJ = ', aerospc_conc( ACL_IDX,2) \n WRITE( LOGDEV,9500 ) 'AH2OJ = ', aerospc_conc( AH2O_IDX,2 ) \n WRITE( LOGDEV,9500 ) 'ANH4IJ = ',\n & aerospc_conc( ANH4_IDX,1 ) + aerospc_conc( ANH4_IDX,2 ) \n WRITE( LOGDEV,9500 ) 'ANO3IJ = ',\n & aerospc_conc( ANO3_IDX,1 ) + aerospc_conc( ANO3_IDX,2 ) \n WRITE( LOGDEV,9500 ) 'ASO4IJ = ',\n & aerospc_conc( ASO4_IDX,1 ) + aerospc_conc( ASO4_IDX,2 ) \n WRITE( LOGDEV,9500 ) 'ACLIJ = ',\n & aerospc_conc( ACL_IDX,1 ) + aerospc_conc( ACL_IDX,2 ) \n WRITE( LOGDEV,9500 ) 'AH2OIJ = ',\n & aerospc_conc( AH2O_IDX,1 ) + aerospc_conc( AH2O_IDX,2 ) \n WRITE( LOGDEV,9500 ) 'GAMMA = ', N2O5_GAMMA( AIRTEMP, AIRRH, 0 )\n WRITE( LOGDEV,9500 ) 'ANH4K = ', aerospc_conc( ANH4_IDX,3 ) \n WRITE( LOGDEV,9500 ) 'ANO3K = ', aerospc_conc( ANO3_IDX,3 ) \n WRITE( LOGDEV,9500 ) 'ASO4K = ', aerospc_conc( ASO4_IDX,3 ) \n WRITE( LOGDEV,9500 ) 'ACLK = ', aerospc_conc( ACL_IDX, 3 ) \n WRITE( LOGDEV,9500 ) 'AH2OK = ', aerospc_conc( AH2O_IDX,3 ) \n WRITE( LOGDEV,9500 ) 'GAMMAK = ', N2O5_GAMMA( AIRTEMP, AIRRH, 5 )\n WRITE( LOGDEV,9500 ) 'XXF_AT = ', XXF( 1 )\n WRITE( LOGDEV,9500 ) 'XXF_AC = ', XXF( 2 )\n WRITE( LOGDEV,9500 ) 'XXF_COR = ', XXF( 3 )\n WRITE( LOGDEV,'( A )' ) 'Product/Nucleophile mapping for epox uptake:'\n DO N = 1, N_NUCPAIRS\n WRITE( LOGDEV,'( 5X,A,I4 )' ) ACID_NUC_PAIRS( N )%PROD, ACID_PRODMAP_IDX( N )\n WRITE( LOGDEV,'( 5X,A,I4 )' ) ACID_NUC_PAIRS( N )%NUC, ACID_NUCMAP_IDX( N )\n END DO\n WRITE( LOGDEV,9500 ) 'GAMMAIEPOX = ', GAMMAIEPOX\n WRITE( LOGDEV,9500 ) 'GAMMAIMAE = ', GAMMAIMAE\n WRITE( LOGDEV,9500 ) 'k_particle_iepox = ', KPIEPOX\n WRITE( LOGDEV,9500 ) 'Fraction tetrol = ', FH2O( 1 )\n WRITE( LOGDEV,9500 ) 'Fraction iepoxos = ', FOS( 1 )\n WRITE( LOGDEV,9500 ) 'Fraction tetrol dimer = ', FDIM1( 1 )\n WRITE( LOGDEV,9500 ) 'Fraction iepoxos dimer = ', FDIM2( 1 )\n WRITE( LOGDEV,9500 ) 'Fraction 2-MG = ', FH2O( 2 )\n WRITE( LOGDEV,9500 ) 'Fraction mae-os = ', FOS( 2 )\n WRITE( LOGDEV,9500 ) 'Fraction mae dimers = 0 ', FDIM1( 2 ) + FDIM2( 2 )\n WRITE( LOGDEV,9500 ) 'TETROL_PPM = ', TETROL_PPM\n WRITE( LOGDEV,9500 ) 'IEPOXOS_PPM = ', IEPOXOS_PPM\n WRITE( LOGDEV,9501 ) 'KN2O5IJ = ', 60.0D0 * ( KN2O5( 1 ) + KN2O5( 2 ) ),' 1/min'\n WRITE( LOGDEV,9501 ) 'KN2O5K = ', 60.0D0 * KN2O5(3), ' 1/min'\n WRITE( LOGDEV,9501 ) 'KNO2 = ', 60.0D0 * KNO2, ' 1/min'\n WRITE( LOGDEV,9501 ) 'YIELDI = ', YIELD_CLNO2( 1 ), ' '\n WRITE( LOGDEV,9501 ) 'YIELDJ = ', YIELD_CLNO2( 2 ), ' '\n WRITE( LOGDEV,9501 ) 'YIELDIJ = ', YIELDIJ, ' '\n WRITE( LOGDEV,9501 ) 'YIELDK = ', YIELD_CLNO2( 3 ), ' '\n WRITE( LOGDEV,9501 ) 'F_PART_NTR2 = ', F_PART_NTR2, ' '\n WRITE( LOGDEV,9501 ) 'GAMMA_NO3= ', GAMMA_NO3, ' '\n WRITE( LOGDEV,9501 ) 'GAMMA_GLY= ', GAMMA_GLY, ' '\n WRITE( LOGDEV,9501 ) 'GAMMA_HO2= ', GAMMA_HO2, ' '\n WRITE( LOGDEV,9501 ) 'KNO3(1)= ', KNO3( 1 ), ' '\n WRITE( LOGDEV,9501 ) 'KNO3(2)= ', KNO3( 2 ), ' '\n WRITE( LOGDEV,9501 ) 'KNO3(3)= ', KNO3( 3 ), ' '\n WRITE( LOGDEV,9501 ) 'KGLY(2)= ', KGLY( 2 ), ' '\n WRITE( LOGDEV,9501 ) 'KMGLY(2)= ', KMGLY( 2 ), ' '\n WRITE( LOGDEV,9501 ) 'KHO2(2)= ', KHO2( 2 ), ' '\n DO N = 1, NHETERO\n WRITE( LOGDEV,9501 ) HETERO( N ) // ' = ', KHETERO( N, C,R,L ),' '\n END DO\n END IF \n9499 FORMAT( 'At COL = ',I3,' ROW = ',I3,' LAY = ',I3 )\n9500 FORMAT( A, ES12.4 )\n9501 FORMAT( A, ES12.4, A ) \n#endif\n \n END DO LOOP_COL\n END DO LOOP_ROW\n END DO LOOP_LAY\n\n RETURN\n\n END SUBROUTINE HETCHEM_RATES\n\nC ::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n\n REAL( 8 ) FUNCTION PNCOM_LOSS( POC, PNCOM )\n! Calculates rate constant in cm3 molec-1 sec-1 for PNCOM loss by reacting \n! with OH, derived from the reactions in the below POA aging scheme \n! in CMAQ v5.0-v5.02:\n! start with the definition of POCRm \n! - POCRm = reduced primary organic carbon (molar concentration)\n! changes POCRm correspond to changes in PNCOM via a rate constant\n! koheff*[OH] that comes from Weitkamp et al (2008) and George et al (2007)\n!\n! POCRm = POC/12 - Omoles\n! where Omoles represent fraction that is already PNCOM oxidized\n! Omoles = NCOM/(16 + PHOrat) if 14/12 < (POC + NCOM)/POC < 44/12 \n! - see Simon et al (2011) for derivation\n! Omoles = NCOM/16 if (POC + NCOM)/POC >= 44/12 \n! - interpretted as POC is fully oxidized and all \n! NCOM is oxygen \n! Omoles = 0 if (POC + NCOM)/POC <= 14/12 \n! - if OM/OC < 1.167, then POC is fully reduced and all \n! NCOM is hydrogen\n! - see Simon et al. (2011) for derivation\n! note:we divide POC by 12 b/c we want moles of carbon atoms not moles \n! of POC (since each carbon atom w\\in the molecule is allowed \n! to react)\n! note: we calculate Omoles based on the equations above derived from \n! Heald et al (2010) and documented in Simon et al (2011).\n!\n! The following rate equation comes from the reaction above:\n! dPOCRm/dt = POCRm*koheff*[OH] \n! -assume that [OH] does not change as a result of this reaction\n! solve for POCRm at time, t\n! moles: POCRm(t) = POCRm(0)*EXP(-koheff*[OH]*t) = POCRm(0)*expdt\n!\n! One mole of \"NCOMm\" is formed for every mole of POCRm that reacts:\n! -dPOCRm/dt = dNCOMm/det\n! moles of NCOMm: NCOMm = NCOMm(0) + POCRm(0)*[1-EXP(-koheff*[OH]*t)] = \n! NCOMm(0) + POCRm(0)*(1-expdt)\n! NCOMg = NCOMm*15.0 \n! - every mole of newly formed NCOM results in an average gain of 1 oxygen atom \n! and an average loss of 1 hydrogen atoms (on average, two oxidation steps \n! convert a CH3 functional group into a COOH functional group) \n! -(based on Heald et al. (2010)) \n! Rewrite NCOM formation equation using grams: \n! NCOMg/15.0 = NCOMg(0)/15.0 + POCRm*(1-expdt) \n! V \n! NCOMg == NCOM(0) + 15.0*POCRm*(1-expdt)\n! or\n! dNCOMg/dt = (15.0/12.0)*POC*koheff*[OH]-15.0*Omoles*PNCOM*koheff*[OH]\n! ----> 15.0*Omoles*koheff is rate constant of PNCOM loss\n! \n! Key Subroutines Called: none\n!\n! Key Functions Called: none\n!\n! Revision History:\n! June 2014: Bill Hutzell-initial version based on the poaaging subroutine\n! in CMAQ v5.0 thru v5.0.2.\n! \n! REFERENCES:\n! 1. George, I.J., Vlasenko, A., Slowik, J.G., Broekhuizen, K., \n! Abbatt, J.P.D. (2007), Heterogeneous oxidation of saturated\n! organic aerosols by hydroxyl radicals: uptake kinetics, \n! condesned-phase products, and particle size change, \n! Atmospheric Chemistry and Physics, 7, 4187-4201 \n! \n! 2. Heald, C.L., Kroll, J.H., Jimenez, J.L., Docherty, K.S., \n! DeCarlo, P.F., Aiken, A.C., Chen, Q., Martin, S.T., Farmer, S.T.,\n! Artaxo, P. (2010), A simplified description of the evolution of \n! organic aerosol composition in the atmosphere, GRL, 37, L08803. \n!\n! 3. Simon, H. and Bhave, P.V. (2011), Simulating the degree of oxidation \n! in atmospheric organic particles \n! In Review at ES&T.\n!\n! 4. Weitkamp, E.A., Lambe, A.T., Donahue, N.M., Robinson, A.L. (2008),\n! Laboratory measurements of the heterogeneous oxidation of condensed-\n! phase organic molecular markers for motor vehicl exhaust, 42, \n! 7950-7956.\n!-----------------------------------------------------------------------\n \n IMPLICIT NONE\n \n! Arguments: Note specific units do not material as long as consistent\n! between arguments, i.e., the same\n REAL, INTENT( IN ) :: POC ! concentration of primary organic carbon\n REAL, INTENT( IN ) :: PNCOM ! concentration of primart noncarbon organic matter\n! Parameter:\n REAL( 8 ), PARAMETER :: KOHEFF = 2.5D-12 ! POC + OH rate constant, cm3 molec-1 sec-1\n REAL, PARAMETER :: LOWER_LIMIT = 7.0/6.0\n REAL, PARAMETER :: UPPER_LIMIT = 11.0/3.0\n REAL( 8 ), PARAMETER :: MAX_RATE = 15.0D0/16.0D0 * KOHEFF ! max rate constant for PNCOM loss\n! Local \n REAL( 8 ) :: RATIO ! the hydrogen to oxygen ratio in organic matter\n \n PNCOM_LOSS = 0.0D0\n\n IF ( POC .LE. 1.0D-30 ) RETURN\n \n RATIO = REAL( ( POC + PNCOM ) / POC, 8 )\n\n IF ( RATIO .GT. LOWER_LIMIT .AND. RATIO .LT. UPPER_LIMIT ) THEN\n PNCOM_LOSS = 15.0D0 * KOHEFF\n & / ( 16.0D0 + (UPPER_LIMIT - RATIO) / (RATIO - LOWER_LIMIT) )\n ELSE IF ( RATIO .GE. UPPER_LIMIT ) THEN \n PNCOM_LOSS = MAX_RATE\n END IF\n \n RETURN \n END FUNCTION PNCOM_LOSS\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n REAL( 8 ) FUNCTION N2O5_GAMMA( TEMP, RH, GPARAM )\n\nC Calculates the N2O5 heterogeneous reaction probability, which is the\nC fraction of collisions between a gaseous N2O5 molecule and a particle\nC surface that leads to nitrate production. In the literature, this\nC probability is commonly referred to with the Greek letter, GAMMA. To\nC avoid conflicts with the intrinsic GAMMA function on some compilers,\nC we refer to the reaction probability as N2O5_GAMMA in this function.\n\nC A variety of parameterizations of N2O5_GAMMA are available in this\nC function. Users may select among the different parameterizations\nC by changing the input argument, GPARAM. This argument may take on\nC the following values (see code for further details):\nC 1. Constant value of 0.1 based on Dentener & Crutzen (1993)\nC 2. Function of particle SO4 and NO3, based on Riemer et al. (2003)\nC 3. Function of RH, Temp, and particle composition, based on a\nC combination of parameterizations by Evans & Jacob (2005) and\nC Riemer et al. (2003)\nC If GPARAM matches none of the above values, the default calculation\nC of N2O5_GAMMA is a function of RH, T, particle composition, and phase\nC state, based on the parameterization by Davis et al. (2008).\n\nC Key Subroutines Called: none\n\nC Key Functions Called: CRYSTALIZED, FREEZES\n\nC Revision History:\nC First version was coded in November 2007 by Dr. Prakash Bhave\nC using excerpts of the HETCHEM subroutine, which contained only\nC one option for computing N2O5_GAMMA (i.e., GPARAM = 3).\nC\nC PVB 11/03/07 Removed code that sets N2O5_GAMMA to zero when RH < 1%.\nC\nC PVB 11/05/07 Corrected GPARAM = 3 option to fix the typographical\nC error in the paper by Evans & Jacob (2005), which was\nC found by Dr. Jerry Davis.\nC\nC PVB 04/11/08 Updated formulas for LAM1 & LAM2 based on revised paper\nC by Davis et al. (2008). Added APNDX flag so users may\nC switch between base parameterization and the alternative\nC discussed in Appendix A by Davis et al. Set default\nC parameterization to match equations in Appendix A.\nC Reduced all regression coefficients by one decimal place\nC for consistency with revised paper.\nC\nC JTK 04/17/08 Moved molar mass to AERO_INFO.f\nC\nC SH 12/08/09 Use new Fortran modules (aero_data, met_data) in lieu of\nC CBLK array and AERO_INFO module\nC\nC SH 03/10/11 Renamed met_data to aeromet_data\n\nC GS 09/12/14 Added an opiton for N2O5 heterogeneous reaction probability\nC based on Bertram and Thornton (2009) (fine and coarse mode)\n \nC References:\nC 1. Dentener, F.J. and P.J. Crutzen, Reaction of N2O5 on tropospheric\nC aerosols: Impact of global distributions of NOx, O3, and OH.\nC J. Geophys. Res., Vol 98, 7149-7163, 1993.\nC\nC 2. Riemer, N., H. Vogel, B. Vogel, B. Schell, I. Ackermann, C.\nC Kessler, and H. Hass, Impact of the heterogeneous hydrolysis\nC of N2O5 on chemistry of nitrate aerosol formation in the lower\nC troposphere under photosmog conditions. J. Geophys. Res., Vol\nC 108, No D4, 4144, doi:10.1029/2002JD002436, 2003.\nC\nC 3. Evans, M.J. and D.J. Jacob, Impact of new laboratory studies of\nC N2O5 hydrolysis on global model budgets of tropospheric nitrogen\nC oxides, ozone, and OH. Geophys. Res. Lett., 32, L09813,\nC doi:10.1029/2005GL022469, 2005.\nC\nC 4. Davis, J.M., P.V. Bhave, and K.M. Foley, Parameterization of N2O5\nC reaction probabilities on the surface of particles containing\nC ammonium, sulfate, and nitrate. Atmos. Chem. Phys., 2008, in\nC press.\nC\nC 5. Mentel, T.F., M. Sohn, and A. Wahner, Nitrate effect in the\nC heterogeneous hydrolysis of dinitrogen pentoxide on aqueous\nC aerosols. Phys. Chem. Chem. Phys., 1, 5451-5457, 1999.\nC\nC 6. Bertram, T. H. and J.A. Thornton, Toward a general parameterization\nC of N2O5 reactivity on aqueous particles: the competing effects of \nC particle liquid water, nitrate, and chloride, ACP, 9, 8351-8363, 2009. \n\nC-----------------------------------------------------------------------\n\n USE AERO_DATA\n USE AEROMET_DATA ! Includes CONST.EXT\n\n IMPLICIT NONE\n\nC *** Arguments\n REAL( 8 ), INTENT( IN ) :: TEMP ! Air temperature [ K ]\n REAL( 8 ), INTENT( IN ) :: RH ! Fractional relative humidity\n INTEGER, INTENT( IN ) :: GPARAM ! switch to select among\n ! parameterizations\n\nC *** Parameters\n\nC *** switch for alternative parameterization of LAM1 & LAM2\nC when APNDX = .TRUE. (default), Eqs A1-A2 are used for reaction\nC probability on aqueous sulfate particles. Alternatively, set\nC APNDX = .FALSE. to use Eqs 4-5.\n LOGICAL, PARAMETER :: APNDX = .TRUE.\n\nC *** Local Variables\n\nC *** chemical species concentrations [ug/m3]\n REAL ANH4 ! i+j mode ammonium\n REAL ANO3 ! i+j mode nitrate\n REAL ASO4 ! i+j mode sulfate\n\nC *** variables for computing N2O5_GAMMA when GPARAM = 2 or 3\n REAL FRACSO4 ! aerosol mass ratio of SO4/(SO4+NO3)\n REAL GAMMA1 ! upper limit of rxn prob\n REAL GAMMA2 ! lower limit of rxn prob\n REAL ALPHA ! RH-dependent parameter to compute GAMMA1\n REAL BETA ! TEMP-dependent parameter to compute GAMMA1\n\nC *** variables for default parameterization of N2O5_GAMMA\n! LOGICAL, EXTERNAL :: CRYSTALIZED ! function to determine if RH is below CRH\n LOGICAL CRYSTAL ! true if ambient RH < CRH, false otherwise\n! LOGICAL, EXTERNAL :: FREEZES ! function to determine whether RH exceeds IRH\n LOGICAL FROZEN ! true if ambient RH > IRH, false otherwise\n REAL NNO3 ! particle-phase nitrate [micromoles/m3]\n REAL NSO4 ! particle-phase sulfate [micromoles/m3]\n REAL NNH4 ! particle-phase ammonium [micromoles/m3]\n REAL NANI ! particle-phase anions [micromoles/m3]\n REAL X1 ! mole fraction of ammonium bisulfate\n REAL X2 ! mole fraction of ammonium sulfate\n REAL X3 ! mole fraction of ammonium nitrate\n REAL LAM1 ! logit transformation of N2O5_GAMMA on\n REAL LAM2 ! aqueous NH4HSO4 [LAM1], aqueous (NH4)2SO4\n REAL LAM3 ! [LAM2], aqueous NH4NO3 [LAM3], and dry\n REAL LAMD ! sulfate-containing particles [LAMD]\n REAL GAM1 ! reaction probability on aqueous NH4HSO4\n REAL GAM2 ! \" \" \" \" (NH4)2SO4\n REAL GAM3 ! \" \" \" \" NH4NO3\n REAL GAMD ! \" \" \" dry sulfate particles\n REAL T293,T291 ! temperature threshold variables\n REAL RH46 ! RH threshold variable\n\nC *** variables for parameterization based on Bertram and Thornton (2009)\n\n REAL ACLF ! I & J mode chloride, ug/m3 \n REAL AH2OF ! I & J mode water, ug/m3 \n REAL ANO3F ! I & J mode nitrate, ug/m3 \n\n REAL ACLK ! k mode chloride, ug/m3 \n REAL AH2OK ! k mode water, ug/m3 \n REAL ANO3K ! k mode nitrate, ug/m3 \n\n REAL ACLM ! chloride, [moles / liter of particles] \n REAL AH2OM ! water, [moles / liter of particles] \n REAL ANO3M ! nitrate, [moles / liter of particles] \n \n REAL DEN1 ! local varible\n REAL DEN2 ! local varible\n REAL DEN ! local varible\n REAL INV_VOL ! local variable \n \n REAL, PARAMETER :: A = 3.2E-08 ! Unit [s] - Table 2 \n REAL, PARAMETER :: BETA_BT = 1.15E06 ! Unit [1/s] - Table 2 \n REAL, PARAMETER :: DELTA = 1.3E-01 ! Unit [1/M] - Table 2 \n REAL, PARAMETER :: K3OK2B = 6.0E-02 ! Unit [ ] - Table 2 \n REAL, PARAMETER :: K4OK2B = 29.0 ! Unit [ ] - Table 2 \n REAL K2FP ! varible in eqn 10\n \nC *** statement function for inverting the logit transformation given\nC in Eq 7 by Davis et al (2008)\n REAL LOGITINV ! statement function\n REAL XX ! dummy argument for LOGITINV\n LOGITINV( XX ) = 1.0 / ( 1.0 + EXP( -XX ) )\n\nC-----------------------------------------------------------------------\n\nC *** retrieve fine-mode particle-phase ammonium, nitrate, and sulfate [ug/m3]\n ANH4 = aerospc_conc( ANH4_IDX,1 ) + aerospc_conc( ANH4_IDX,2 )\n ANO3 = aerospc_conc( ANO3_IDX,1 ) + aerospc_conc( ANO3_IDX,2 )\n ASO4 = aerospc_conc( ASO4_IDX,1 ) + aerospc_conc( ASO4_IDX,2 )\n\nc *** Retrieve fine-mode particle-phase liquid water, chloride, nitrate [ug/m3]\n AH2OF = aerospc_conc( AH2O_IDX,1 ) + aerospc_conc( AH2O_IDX,2 ) \n ACLF = aerospc_conc( ACL_IDX,1 ) + aerospc_conc( ACL_IDX,2 ) \n ANO3F = aerospc_conc( ANO3_IDX,1 ) + aerospc_conc( ANO3_IDX,2 )\n\nc *** Retrieve coarse-mode particle-phase liquid water, chloride, nitrate [ug/m3]\n AH2OK = aerospc_conc( AH2O_IDX,3 )\n ACLK = aerospc_conc( ACL_IDX,3 )\n ANO3K = aerospc_conc( ANO3_IDX,3 ) \n\n WHAT_OPTION: SELECT CASE( GPARAM )\n\n CASE ( 1 )\nC *** User Option: GPARAM = 1\nC Dentener and Crutzen (1993) recommended a constant value of\nC N2O5_GAMMA = 0.1, which was used in CMAQ prior to ver4.3. In more\nC recent literature, this value has been recognized as an upper\nC estimate of N2O5_GAMMA so it should not be used for routine\nC simulations. It is included here only to facilitate sensitivity\nC studies by CMAQ model users.\n\n N2O5_GAMMA = 0.1D0\n RETURN\n \n CASE( 2, 3 )\nC *** User Options: GPARAM = 2 and 3\nC These options both employ Eqs 2 and 3 by Riemer et al (2003), in\nC which N2O5_GAMMA varies according to the particle-phase sulfate and\nC nitrate concentrations. In both options, the NO3 effect (i.e.,\nC GAMMA1/GAMMA2) is assumed to be a factor of 10 based on Mentel et\nC al (1999) and Riemer et al (2003).\nC - When GPARAM = 2, upper limit of N2O5_GAMMA is fixed at 0.02.\nC This was the default setting in CMAQ ver4.3 through ver4.5.1.\nC - When GPARAM = 3, upper limit of N2O5_GAMMA is a function of\nC ambient TEMP & RH based on the \"Sulfate\" equation in Table 1\nC by Evans & Jacob (2005). This was the default setting in CMAQ\nC ver4.6. After that release, a typographical error was found\nC in the published equation of Evans & Jacob (2005) so this code\nC has been corrected accordingly.\n\n IF ( GPARAM .EQ. 2 ) THEN\n \n GAMMA1 = 0.02\n\n ELSE \nC In this function, RH is in fractional units whereas the\nC published equation by Evans&Jacob refers to RH as a percentage.\n\n ALPHA = 2.79E-04\n & + REAL( RH * ( 1.3D-02 + RH * ( -3.43D-02 + 7.52D-02 * RH ) ), 4 )\n\nC To fix the typographical error by Evans & Jacob (2005), the\nC sign of BETA has been switched in this code.\n\n IF ( TEMP .LT. 282.0D0 ) THEN\n GAMMA1 = 3.0199517 * ALPHA ! (10.0 ** 0.48) * ALPHA\n ELSE\n BETA = 0.04 * ( 294.0 - REAL( TEMP,4 ) )\n GAMMA1 = ALPHA * ( 10.0 ** BETA )\n END IF\n END IF\n\n IF ( ANO3 .GT. 0.0 ) THEN\n FRACSO4 = ASO4 / ( ASO4 + ANO3 )\n ELSE\n FRACSO4 = 1.0\n END IF\n\n GAMMA2 = 0.1 * GAMMA1\n N2O5_GAMMA = REAL( ( GAMMA2 + FRACSO4 * ( GAMMA1 - GAMMA2 ) ), 8 )\n \n RETURN\n\n CASE ( 4 )\n\nC *** User Option: GPARAM = 4 (fine-mode particles)\nC *** It calculates N2O5_GAMMA based on Bertran and Thornton, 2009\n \n INV_VOL = 1.0E-9 * f6pi / REAL( ( WET_M3( 1 ) + WET_M3( 2 ) ), 4 )\n \n AH2OM = AH2OF * INV_VOL / aerospc_mw( AH2O_IDX )\n ACLM = ACLF * INV_VOL / aerospc_mw( ACL_IDX )\n ANO3M = ANO3F * INV_VOL / aerospc_mw( ANO3_IDX )\n \n K2FP = BETA_BT - BETA_BT * EXP( -DELTA * AH2OM )\n \n DEN1 = K3OK2B * ( AH2OM / ANO3M )\n\n DEN2 = K4OK2B * ( ACLM / ANO3M )\n\n DEN = DEN1 + 1.0 + DEN2\n \n N2O5_GAMMA = REAL( A * K2FP * (1.0 - 1.0 / DEN), 8 )\n \n RETURN\n\n CASE ( 5 )\n \nC *** User Option: GPARAM = 5 (coarse-mode particles)\nC It calculates N2O5_GAMMA based on Bertran and Thornton, 2009\n\n INV_VOL = 1.0E-9 * f6pi / REAL( WET_M3( 3 ), 4 )\n \n AH2OM = AH2OK * INV_VOL / aerospc_mw( AH2O_IDX )\n ACLM = ACLK * INV_VOL / aerospc_mw( ACL_IDX )\n ANO3M = ANO3K * INV_VOL / aerospc_mw( ANO3_IDX )\n \n K2FP = BETA_BT - BETA_BT * EXP( -DELTA * AH2OM )\n \n DEN1 = K3OK2B * ( AH2OM / ANO3M )\n\n DEN2 = K4OK2B * ( ACLM / ANO3M )\n\n DEN = DEN1 + 1.0 + DEN2 \n\n N2O5_GAMMA = REAL( A * K2FP * (1.0 - 1.0 / DEN), 8)\n \n RETURN\n \n! IF ( DUMP_CELL ) THEN\n! WRITE(*,*)'AH2OM = ',AH2OM\n! WRITE(*,*)'ACLM = ',ACLM\n! WRITE(*,*)'ANO3M = ',ANO3M\n! WRITE(*,*)'DEN = ',DEN\n! WRITE(*,*)'DEN1 = ',DEN1\n! WRITE(*,*)'DEN2 = ',DEN2\n! WRITE(*,*)'K2FP = ',K2FP\n! WRITE(*,*)'GAMMAK = ',A * K2FP * (1.0 - 1.0 / DEN)\n! END IF\n \n! RETURN\n \n CASE DEFAULT\n \nC *** Default setting in current version of CMAQ:\nC This code implements the paramaterization given in Eq 15 by Davis\nC et al (2008), in which N2O5_GAMMA is a function of RH, TEMP,\nC particle composition, and phase state. Note: In this function, RH\nC is in fractional units whereas the published equations refer to RH\nC as a percentage.\n\nC *** Check whether the ambient RH is below the crystallization RH for\nC the given inorganic particle composition.\n CRYSTAL = CRYSTALIZED( RH, .TRUE. )\n\nC *** Check whether the ambient RH exceeds the RH of ice formation.\n FROZEN = FREEZES( TEMP, RH )\n \n IF ( FROZEN ) THEN\nC *** Set N2O5_GAMMA to constant value if particles contain ice, based on\nC Eq 14 by Davis et al (2008).\n\n N2O5_GAMMA = 0.02D0 ! Eq 14\n\n ELSE\nC *** Compute mole-fractional-composition of particles based on Eq 11 by\nC Davis et al (2008).\n NNO3 = ANO3 / aerospc_mw( ANO3_IDX )\n NSO4 = ASO4 / aerospc_mw( ASO4_IDX )\n NNH4 = ANH4 / aerospc_mw( ANH4_IDX )\n NANI = NNO3 + NSO4\n \n X3 = NNO3 / NANI\n X2 = MAX( 0.0, MIN( 1.0 - X3, NNH4/NANI - 1.0 ) )\n X1 = 1.0 - ( X2 + X3 )\n\nC *** Compute N2O5_GAMMA on pure NH4NO3 particles using Eqs 6 and 8 by\nC Davis et al (2008).\n LAM3 = -8.10774 + 4.902 * REAL( RH, 4 ) ! Eq 6\n GAM3 = MIN( LOGITINV( LAM3 ), 0.0154 ) ! Eq 8\n\nC *** Compute N2O5_GAMMA on dry particles using Eqs 9, 10, and 13 by\nC Davis et al (2008).\n IF ( CRYSTAL ) THEN\n T293 = MAX( 0.0, REAL( TEMP ) - 293.0 )\n LAMD = -6.13376 + 3.592 * REAL( RH, 4 ) ! Eq 9\n & - 0.19688 * T293\n GAMD = MIN( LOGITINV( LAMD ), 0.0124 ) ! Eq 10\n N2O5_GAMMA = REAL( ( X1 + X2 ) * GAMD ! Eq 13\n & + X3 * MIN( GAMD, GAM3 ), 8)\n\nC *** Compute N2O5_GAMMA on aqeuous particles using Eqs A1, A2, 8, and 12\nC by Davis et al (2008). When APNDX = .TRUE. (default), Eqs A1-A2\nC are used for reaction probability on aqueous sulfate particles.\nC Switch to .FALSE. if Eqs 4-5 are desired. See Appendix A by\nC Davis et al. (2008) for a discussion of these options.\n ELSE\n T291 = MAX( 0.0, REAL( TEMP ) - 291.0 )\n IF ( APNDX ) THEN\n RH46 = MIN( 0.0, REAL( RH )- 0.46 )\n LAM2 = -3.64849 + 9.553 * RH46 ! Eq A2\n LAM1 = LAM2 + 0.97579 ! Eqs A1 & A2\n & - 0.20427 * T291\n ELSE\n LAM1 = -4.10612 + 2.386 * REAL( RH ) ! Eq 4\n & - 0.23771 * T291\n LAM2 = LAM1 - 0.80570 ! Eqs 4 & 5\n & + 0.10225 * T291\n END IF\n\n GAM1 = MIN( LOGITINV( LAM1 ), 0.08585 ) ! Eq 8\n GAM2 = MIN( LOGITINV( LAM2 ), 0.053 ) ! Eq 9\n N2O5_GAMMA = REAL( ( X1 * GAM1 ) ! Eq 12\n & + ( X2 * GAM2 )\n & + ( X3 * GAM3 ), 8 )\n\n END IF\n END IF\n\n END SELECT WHAT_OPTION\n\n\n RETURN\n\n END FUNCTION N2O5_GAMMA\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n LOGICAL FUNCTION CRYSTALIZED( RH, COMPLETE )\n\nC Determines whether the ambient RH is below the crystallization relative\nC humidity (CRH). The output of this logical function is .TRUE. when the\nC ambient RH is below the CRH and .FALSE. otherwise. The empirical\nC equations developed by Martin et al (2003) are applied to determine the\nC CRH for a given mixture of sulfate, nitrate, and ammonium. Though those\nC equations are validated only at 293K, they are applied at all ambient\nC temperatures because insufficient data exist to estimate the temperature\nC dependence of the CRH of mixed sulfate-nitrate-ammonium particles.\nC Users can opt to compute either the RH of initial crystal formation\nC (i.e., COMPLETE .EQ. .FALSE.) or the RH of compete crystallization (i.e.,\nC COMPLETE .EQ. .TRUE.).\n\nC References:\nC 1. Martin, S.T., J.C. Schlenker, A. Malinowski, H.-M. Hung, and\nC Y. Rudich, Crystallization of atmospheric sulfate-nitrate-\nC ammonium particles. Geophys. Res. Lett., 30(21), 2102,\nC doi:10.1029/2003GL017930, 2003.\n\nC Revision History:\nC PVB 11/05/07 Coded the first version.\nC JTK 04/17/08 Moved molar mass to AERO_INFO.f\nC SH 12/08/09 Use aero_data module in lieu of CBLK array\n\nC-----------------------------------------------------------------------\n\n USE AERO_DATA\n\n IMPLICIT NONE\n\nC *** Arguments\n REAL( 8 ), INTENT( IN ) :: RH ! fractional relative humidity\n LOGICAL, INTENT( IN ) :: COMPLETE ! flag deciding which CRH\n ! equation to use\n\nC *** Local Variables\n\nC *** chemical species concentrations [micromoles/m3]\n REAL NSO4 ! i+j mode sulfate\n REAL NNO3 ! i+j mode nitrate\n REAL NNH4 ! i+j mode ammonium\n REAL NCAT ! i+j mode cations\n REAL NANI ! i+j mode anions\n\nC *** cation and anion mole fractions used in CRH equations\n REAL X ! ammonium/cation mole fraction: NH4/(NH4+H)\n REAL Y ! sulfate/anion mole fraction: SO4/(SO4+NO3)\n\nC *** intermediate variables used in CRH equations\n REAL X2, XY, Y2, X2Y, XY2, RDEN\n\n REAL CRH ! crystallization RH (fractional units)\n\nC-----------------------------------------------------------------------\n\nC *** Experimental measurements of CRH are lacking below 1% relative\nC humidity. Under those very dry conditions, we assume that\nC particles will crystallize. Equations by Martin et al (2003) for\nC internally-mixed sulfate-nitrate-ammonium particles yield maximum\nC CRH values of 35.03% and 34.50% for initial crystal formation and\nC complete crystallization, respectively. Therefore, the full CRH\nC calculation can be avoided when RH > 35.1%.\n IF ( RH .LE. 0.01D0 ) THEN\n CRYSTALIZED = .TRUE. ! ambient particles are dry\n RETURN\n ELSE IF ( RH .GT. 0.351D0 ) THEN\n CRYSTALIZED = .FALSE. ! ambient RH exceeds CRH\n RETURN\n END IF\n\nC *** calculate total particle-phase composition [micromoles/m3]\n NNO3 = ( aerospc_conc( ANO3_IDX,1 ) + aerospc_conc( ANO3_IDX,2 ) )\n & / aerospc_mw( ANO3_IDX )\n NSO4 = ( aerospc_conc( ASO4_IDX,1 ) + aerospc_conc( ASO4_IDX,2 ) )\n & / aerospc_mw( ASO4_IDX )\n NNH4 = ( aerospc_conc( ANH4_IDX,1 ) + aerospc_conc( ANH4_IDX,2 ) )\n & / aerospc_mw( ANH4_IDX )\n\nC *** calculate total anion and cation concentrations\n NCAT = MAX( NNH4, 2.0 * NSO4 + NNO3 )\n NANI = NNO3 + NSO4\n\nC *** calculate ammonium and sulfate mole fractions\n X = NNH4 / NCAT\n Y = NSO4 / NANI\n\nC *** Experimental data of Martin et al. (2003) show no crystal\nC formation when X < 0.50 or Y < 0.22. For these particle\nC compositions, the full CRH calculation can be avoided.\nC\nC Note: Martin`s equation for initial crystal formation returns\nC very large CRH values when X and Y approach zero. However,\nC those values were verified to be erroneous by personal\nC communication with Dr. Scot Martin on Aug. 30, 2007.\n IF ( ( X .LT. 0.50 ) .OR. ( Y .LT. 0.22 ) ) THEN\n CRYSTALIZED = .FALSE. ! ambient RH exceeds CRH\n RETURN\n END IF\n\nC *** store some terms needed to evaluate the CRH equations\n X2 = X * X\n XY = X * Y\n X2Y = X2 * Y\n Y2 = Y * Y\n XY2 = X * Y2\n RDEN = 1.0 / ( 25.0 + ( X - 0.7 ) * ( Y - 0.5 ) )\n\nC *** calculate CRH using empirical equations of Martin et al (2003)\n IF ( COMPLETE ) THEN\n\n CRH = 3143.44 + (63.07 * X) + (0.114 * X2) + (87.97 * Y)\n & - (125.73 * XY) + (0.586 * X2Y) + (0.95 * Y2)\n & - (1.384 * XY2) - (79692.5 * RDEN)\n\n ELSE\n\n CRH = -697.908 - (15.351 * X) + (0.43 * X2) - (22.11 * Y)\n & + (33.882 * XY) - (1.818 * X2Y) + (0.772 * Y2)\n & - (1.636 * XY2) + (17707.6 * RDEN)\n\n END IF\n\nC *** set value of the output variable, CRYSTALIZED\n IF ( RH .LE. REAL( CRH, 8 ) ) THEN\n CRYSTALIZED = .TRUE. ! ambient particles are dry\n ELSE\n CRYSTALIZED = .FALSE. ! ambient RH exceeds CRH\n END IF\n\n RETURN\n\n END FUNCTION CRYSTALIZED\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n LOGICAL FUNCTION FREEZES( TEMP, RH )\n\nC Determines whether the ambient RH has exceeded the RH of ice formation,\nC based on the Goff-Gratch equations as given by List (1984).\n\nC References:\nC 1. Goff, J.A. and S. Gratch, Low-pressure properties of water from\nC -160 to 212 F, in Transactions of the American Society of Heating\nC and Ventilating Engineers, pp 95-122, New York, 1946.\nC 2. List, R.J. (editor), Smithsonian Meteorological Tables, 5th ed.\nC pp. 350, 1984.\n\nC Revision History:\nC PVB 11/06/07 Coded the first version.\nC-----------------------------------------------------------------------\n\n IMPLICIT NONE\n\nC *** Arguments\n REAL( 8 ), INTENT( IN ) :: TEMP ! Air temperature [ K ]\n REAL( 8 ), INTENT( IN ) :: RH ! Fractional relative humidity\n\nC *** Parameters\n\nC *** The following values are taken from List (1984). Note that\nC these differ slightly from the original equations published by\nC Goff & Gratch (1946). We also note that T0 and PST differ\nC slightly from STDTEMP and STDATMPA in the AERO_INFO module.\nC Here, we use 273.16 K and 1013.246 hPa to be consistent with\nC the Goff-Gratch equations as given by List (1984).\n REAL( 8 ), PARAMETER :: TST = 373.16D0 ! steam-point temperature, K\n REAL( 8 ), PARAMETER :: T0 = 273.16D0 ! ice-point temperature, K\n REAL( 8 ), PARAMETER :: PST = 1013.246D0 ! sat vapor pres at TST, hPa\n REAL( 8 ), PARAMETER :: P0 = 6.1071D0 ! sat vapor pres at T0, hPa\n\n REAL( 8 ), PARAMETER :: LOGPST = 3.0057149D0 ! LOG10(PST)\n REAL( 8 ), PARAMETER :: LOGP0 = 0.78583503D0 ! LOG10(P0)\n\nC *** Local Variables\n\nC *** estimates of IRH using a polynomial approximation\n REAL( 8 ) EIRH ! IRH approximated using 2nd order polynomial\n REAL( 8 ) LIRH ! lower-bound of IRH\n REAL( 8 ) UIRH ! upper-bound of IRH\n\nC *** variables used to compute RH of ice formation\n REAL( 8 ) TSDT, TDTS, T0DT, TDT0 ! intermediate variables\n REAL( 8 ) LOGPW ! log10 of saturation vapor pressure over H2O\n REAL( 8 ) LOGPI ! log10 of saturation vapor pressure over ice\n\n REAL( 8 ) IRH ! fractional RH at which ice forms\n\nC-----------------------------------------------------------------------\n\n IF ( TEMP .LT. T0 ) THEN\n\nC *** To mitigate the computational expense associated with Goff-Gratch\nC equations, use a 2nd order polynomial function to approximate IRH.\nC This approximation, EIRH, matches IRH from the full Goff-Gratch\nC equations within 0.004 over the entire low-temperature range of\nC interest (200 to 275K) and is used for screening purposes.\n EIRH = 1.61299D0 + TEMP * ( 4.4117437D-5 * TEMP - 1.4293888D-2 )\n LIRH = EIRH - 0.005D0\n UIRH = EIRH + 0.005D0\n\n IF ( RH .GT. UIRH ) THEN\n FREEZES = .TRUE.\n ELSE IF ( RH .LT. LIRH ) THEN\n FREEZES = .FALSE.\n ELSE\n\nC *** Compute IRH using Goff-Gratch equations as given by List (1984)\n TSDT = TST / TEMP\n TDTS = TEMP / TST\n T0DT = T0 / TEMP\n TDT0 = TEMP / T0\n LOGPW = -7.90298D0 * ( TSDT - 1.0D0 )\n & + 5.02808D0 * LOG10( TSDT )\n & - 1.3816D-7 * ( 10.0D0 ** ( 11.344D0 * (1.0D0 - TDTS) ) - 1.0D0 )\n & + 8.1328D-3 * ( 10.0D0 ** ( -3.49149D0 * (TSDT - 1.0D0) ) - 1.0D0 )\n & + LOGPST\n LOGPI = -9.09718D0 * (T0DT - 1.0D0)\n & - 3.56654D0 * LOG10( T0DT )\n & + .876793D0 * (1.0D0 - TDT0)\n & + LOGP0\n IRH = 10.0D0 ** ( LOGPI - LOGPW )\n\n IF ( RH .GT. IRH ) THEN\n FREEZES = .TRUE.\n ELSE\n FREEZES = .FALSE.\n END IF\n\n END IF\n ELSE\n FREEZES = .FALSE.\n END IF\n\n RETURN\n\n END FUNCTION FREEZES\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE CALCISOPGAMMAS( RADIUS, TEMPERATURE,\n & GAMMAIEPOX, GAMMAIMAE,\n & KPIEPOX, fTET, fOS, fdim1, fdim2 )\n\nC Calculates the uptake coefficients (gammas) for IEPOX, IMAE, and IHMML\nC based on particle phase H+ (EQLBH) and other particle constituents.\nC Also returns calculated particle phase reaction rate, fraction of uptake\nC producing tetrols, organosulfates, and dimers.\n\nC Note that indices 1 and 2 are used for both acids (1=H+, 2=bisulfate) and\nC the organics (1=IEPOX, 2=IMAE).\n\nC Key Subroutines Called: none\n\nC Key Functions Called: none\n\nC Revision History: \nC HOTP 1/18/13 First coding\nC HOTP 9/26/14 Reduced form considering only IEPOX uptake with no\nC speciation developed for CB05\nC HOTP 5/10/16 Merged with AERO6I code. Now handles SAPRC07tic and MAE uptake.\n\nC References\nC 1. Chan, M. N., et al. \"Characterization and quantification of isoprene-\nC derived expoxydiols in ambient aerosol in the Southeastern United States,\"\nC Environ. Sci. Technol., 2010, 44, 4590-4596.\nC 2. Eddingsaas, N. C., VanderVelde, D. G., Wennberg, P. O. \"Kinetics \nC and products of the acid-catalyzed ring-opening of atmospherically\nC relevant butyl epoxy alcohols,\" J. Phys. Chem A., 2010, 114, 8106-8113.\nC 3. Gharagheizi, F., et al. \"Representation and prediction of molecular diffusivity\nC of nonelectrolyte organic compounds in water at infinite dilution using the\nC artificial neural network-group contribution method,\" J. Chemical & Engineering\nC Data, 2011, 46, 1741-1750.\nC 4. Hanson, D. R., Ravishankara, A. R., Solomon, S. \"Heterogeneous reactions in\nC sulfuric acid aerosols: A framework for model calculations,\" J. Geophys. Res.,\nC 1994, 99, 3615-3629.\nC 5. McNeill, V. F., et al. \"Aqueous-phase secondary organic aerosol and organosulfate \nC formation in atmospheric aerosols: A modeling study,\" Environ Sci Technol., 2012,\nC 46, 8075-8081.\nC 6. Pye et al., Epoxide pathways improve model predictions of isoprene\nC markers and reveal key role of acidity in aerosol formation,\nC Envion. Sci. Technol, 2013, doi: 10.1021/es402106h. \nC-----------------------------------------------------------------------\n\n Use aero_data\n Use precursor_data\n Use aeromet_data ! Includes CONST.EXT (pi) and airtemp\n Use utilio_defn ! error message and abort\n\n Implicit None\n\nC *** Arguments\n Real( 8 ), Intent( IN ) :: RADIUS ! Particle radius [m]\n Real( 8 ), Intent( IN ) :: TEMPERATURE ! air temperature [deg K]\n Real( 8 ), Intent( OUT ) :: GAMMAIEPOX ! Uptake coeff for IEPOX []\n Real( 8 ), Intent( OUT ) :: GAMMAIMAE ! Uptake coeff for MAE []\n Real( 8 ), Intent( OUT ) :: KPIEPOX ! Particle phase reaction rate for IEPOX [1/s]\n Real( 8 ), Intent( OUT ) :: fTET(2), fOS(2), fdim1(2), fdim2(2)\n ! fraction of tetrol, organosulfate, tetroldimer, osdimer []\n ! first value for IEPOX-derived, second for IMAE-derived\nC *** Parameters\nC For gamma calculation\n Real( 8 ), Parameter :: inv_alpha = 1.0d0/0.02d0 ! reciproaccomodation coefficient from McNeill et al. 2012 []\n Real( 8 ), Parameter :: diffusivity = 1.0d-9 ! liquid phase diffusivity, based on C4-C5 epoxides \n ! and diols at infinite dilution in water (Gharagheizi et al. 2011) [m2/s]\n Real( 8 ), Parameter :: RgasLatmmolK = 0.08206d0 ! Universal gas constant [L atm/mol K]\n Real( 8 ), Parameter :: small = 1.0d-8 ! small number to prevent calculations that may have precision issues\n Real( 8 ), Parameter :: smaller = 1.0d-20 ! smaller number to prevent division by zero\n\nC Acid related\n Integer, Parameter :: n_acids = 2 ! number of acids: H+ and HSO4-\n Integer, Parameter :: hacid_idx = 1 ! H+ acid index\n Integer, Parameter :: hso4acid_idx = 2 ! HSO4 acid index\n\nC Henry's law coeff for IEPOX (1) and IMAE (2) (HenryWin v 3.2)\n Real( 8 ) :: Heff(2)\n\nC Diagnostic\n Character (16 ), Parameter :: pname = 'CALCISOPGAMMAS'\n\nC *** Local Variables\n Integer :: i ! counter and temporary indices\n Real( 8 ) :: eqlbh ! Particle Phase H+ from isoropia [mol/m**3]\n Real( 8 ) :: q, denom ! quantities in Hanson et al. 1994 equation for gamma []\n Real( 8 ) :: nu ! molecular speed [m/s], note this is the same as CBAR but we want to avoid excessive passing\n Real( 8 ) :: acidmolconc( n_acids ) ! concentration of acid in mol/m3\n Real( 8 ) :: acid ! temporary concentration of acid in mol/m3\n Real( 8 ) :: nuc ! nucleophile concentration in mol/m3\n Real( 8 ) :: charge ! temporary for charge balance calculation [umol/m3]\n Real( 8 ) :: inv_volume ! reciprocal of particle volume [m3 air/Liters particles]\n Real( 8 ) :: kchem, kparticle(2) \n Real( 8 ) :: kchemtet(2),kchemos(2), kchemdim1(2), kchemdim2(2) ! particle phase rxn rates [1/s] \n Real( 8 ) :: gammaisop(2) ! temporary value for IEPOX (1) and IMAE (2) gammas\n Real( 8 ) :: cfactor_isop(2) ! cfactor for IEPOX(1) and MAE(2)\n Real( 4 ) :: temp ! air temperature [deg K]\n Character ( 80 ) :: xmsg ! error message\n\nC *** External functions\n Interface\n Real Function hlconst ( cname, temp, effective, hplus )\n Use utilio_defn\n Implicit None\n Character*(*), Intent ( In ) :: cname\n Real, Intent ( In ) :: temp\n Logical, Intent ( In ) :: effective\n Real, Intent ( In ) :: hplus\n End Function hlconst\n End Interface\n\nC-----------------------------------------------------------------------\n\nC *** Determine H+ acid concentration of j mode [mol/m3]\n eqlbh = aerospc_conc( ah3op_idx, 2 ) / aerospc_mw( ah3op_idx ) * 1.0d-6\n acidmolconc( hacid_idx ) = Max( eqlbh, 0.0d0 ) \n\nC *** Calculate HSO4 by charge balance\nC Note: if isorropia has returned a negative H+ concentration\nC we effectively treat all H+ like HSO4 (slightly less effective\nC in catalyzing the ring-opening)\n charge = 0.0d0 ! umol/m3\n Do i = 1, n_aerospc\n If ( aerospc( i )%tracer ) Cycle\n If ( aero_missing( i,2 ) ) Cycle\n charge = charge - aerospc( i )%charge * aerospc_conc( i,2 )\n & / aerospc_mw( i )\n End Do\n acidmolconc( hso4acid_idx ) = Max( ( charge*1.0d-6 - acidmolconc( hacid_idx ) ), 0.0d0 ) \n\nC *** J-mode particle volume [L/m**3 air]\n inv_volume = 0.0d0\n Do i = 1, n_aerospc \n If ( aerospc( i )%tracer ) Cycle\n If ( aero_missing( i,2 ) ) Cycle\n! If ( aerospc( i )%no_M2Wet ) Cycle\n inv_volume = inv_volume + Real( aerospc_conc( i, 2 ) / aerospc(i)%density, 8 ) ! * 1.0d-6\n End Do\n inv_volume = 1.0d6 / inv_volume\n\nC *** Loop over nucleophile/acid pairs defined in acid_nuc_pairs in AERO_DATA\nC and calculate rate of particle phase reaction\n kchem = 0.0d0 ! intermediate value\n kparticle = 0.0d0 ! accumulating IEPOX and IMAE value\n kchemos = 0.0d0 ! accumulating organosulfate for IEPOX and IMAE\n kchemtet = 0.0d0 ! accumulating tetrols or equivalent for IEPOX and IMAE\n kchemdim1 = 0.0d0 ! accumulating tetrol-dimer or equivalent for IEPOX and IMAE\n kchemdim2 = 0.0d0 ! accumulating os-dimer or equivalent for IEPOX and IMAE\n\n Do i = 1, n_nucpairs\n\nC Find J-mode nucleophile concentration in ug/m3 and convert to mol/m3\n nuc = aerospc_conc( acid_nucmap_idx( i ), 2 ) \n & / aerospc_mw( acid_nucmap_idx( i ) ) * 1.0d-6\n\n acid = acidmolconc( acid_nuc_pairs( i )%idx_acid ) ! mol/m3\n\nC Correct sulfate for presence of bisulfate\n If ( acid_nuc_pairs( i )%idx_remove .Ge. 1 ) Then\n nuc = Max( nuc - acidmolconc( acid_nuc_pairs( i )%idx_remove ), 0.0d0 )\n End If\n\nC Determine rate of particle phase rxn for a given pair (Eddingsaas et al.)\n kchem = acid_nuc_pairs( i )%kchem* nuc * acid * ( inv_volume*inv_volume )\n \nC Update sum\nC Store information with speciation for IEPOX\n if ( acid_nuc_pairs( i )%parent .eq. 'IEPOX' ) then\n kparticle( 1 ) = kparticle(1) + kchem\n if ( acid_nuc_pairs( i )%prod .eq. 'AIEOSJ' ) then !ae6i\n kchemos( 1 ) = kchemos(1) + kchem\n else if ( (acid_nuc_pairs( i )%prod .eq. 'ADIMJ')\n & .and. (acid_nuc_pairs( i )%nuc .eq. 'AIETETJ') ) then !ae6i\n kchemdim1( 1 ) = kchemdim1(1) + kchem\n else if ( (acid_nuc_pairs( i )%prod .eq. 'ADIMJ')\n & .and. (acid_nuc_pairs( i )%nuc .eq. 'AIEOSJ') ) then !ae6i\n kchemdim2( 1 ) = kchemdim2(1) + kchem\n else if ( acid_nuc_pairs( i )%prod .eq. 'AIETETJ' ) then !ae6i\n kchemtet( 1 ) = kchemtet(1) + kchem\n else if ( acid_nuc_pairs( i )%prod .eq. 'AISO3OSJ' ) then !craccm1\n kchemos( 1 ) = kchemos(1) + kchem\n else if ( acid_nuc_pairs( i )%prod .eq. 'AISO3NOSJ' ) then !craccm1\n kchemtet( 1 ) = kchemtet(1) + kchem\n else if ( acid_nuc_pairs( i )%prod .eq. 'AISO3J' ) then !lumped treatments\n if ( acid_nuc_pairs( i )%nuc .eq. 'ASO4J' ) then !organosulfate\n kchemos( 1 ) = kchemos(1) + kchem\n else ! non sulfated species\n kchemtet( 1 ) = kchemtet(1) + kchem\n end if\n else\n xmsg = 'For IEPOX parent, reaction product not recognized '\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT2 )\n end if\n end if\n\nC Store information with speciation for IMAE\n if ( acid_nuc_pairs( i )%parent .eq. 'IMAE' ) then\n kparticle( 2 ) = kparticle( 2 ) + kchem\n if( acid_nuc_pairs( i )%prod .eq. 'AIMOSJ' ) then\n kchemos( 2 ) = kchemos( 2 ) + kchem\n else if( acid_nuc_pairs( i )%prod .eq. 'AIMGAJ' ) then\n kchemtet( 2 ) = kchemtet( 2 ) + kchem\n else\n xmsg = 'For IMAE parent, reaction product not recognized '\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT2 )\n end if\n end if\n End Do \n\nC *** Calculate gamma following Pye et al. 2013 ES&T\nC (see also Hanson et al. 1994 JGR Eqn (2) for details)\nC *** Calculate gammas for IEPOX and IMAE\n\nC *** Henry's Law coefficients\n temp = real( TEMPERATURE, 4)\n Heff( 1 ) = REAL(HLCONST( 'IEPOX', temp, .False., 0.0 ), 8)\n Heff( 2 ) = REAL(HLCONST( 'IMAE', temp, .False., 0.0 ), 8)\n\nC *** Cfactor\n cfactor_isop( 1 ) = cfactor_iepox\n cfactor_isop( 2 ) = cfactor_imae\n\nC Loop over precursor species and calculate gamma\nC (see Hanson et al. 1994 JGR Eqn (2) for details)\n Do i = 1, numvoc\n\nC Note that if the rate of particle phase reaction is very slow, there may not\nC be enough digits of precision to properly calculate q which can result in\nC erroneously high gamma values. Only calculate gamma if particle phase reaction\nC is faster than 1e-8 1/s\n\n ! Diffuso reactive parameter [ m * sqrt ( 1/s s/m2 ) = dim'less ]\n q = radius * dsqrt ( kparticle(i)/ diffusivity )\n\n If ( q / Tanh( q ) .Gt. 1.0d0 ) Then\n\n ! Molecular speed [ sqrt ( J/mol K * K / g * mol * g/ kg ) = sqrt (J/kg) = m/s ]\n nu = cfactor_isop( i ) * dsqrt( temperature )\n\n ! Gamma [ denom: m/s / ( mol/L/atm * L atm /mol/ K * K * sqrt ( m2/s * 1/s )) = dim'less ]\n\n denom = ( inv_alpha + nu * radius\n & / ( 4.0d0 * Heff( i )* RgasLatmmolK * temperature * diffusivity\n & * ( q / Tanh( q ) -1.0d0 ) ) ) \n\n gammaisop( i ) = 1.0d0 / denom\n\n ftet( i ) = kchemtet( i ) / kparticle( i )\n fos( i ) = kchemos( i ) / kparticle( i )\n fdim1( i ) = kchemdim1( i ) / kparticle( i )\n fdim2( i ) = kchemdim2( i ) / kparticle( i )\n\nC No/slow reaction\n Else\n\n gammaisop( i ) = 0.0d0\n ftet( i ) = 0d0\n fos( i ) = 0d0\n fdim1( i ) = 0d0\n fdim2( i ) = 0d0\n\n End If\n\n End Do\n\nC *** Calculate final values to return\n gammaiepox = gammaisop( 1 )\n gammaimae = gammaisop( 2 )\n kpiepox = kparticle( 1 )\n\n RETURN\n \n END SUBROUTINE CALCISOPGAMMAS\n\n END MODULE AEROSOL_CHEMISTRY\n" }, { "path": "CCTM/src/aero/aero6/AERO_BUDGET.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n!-----------------------------------------------------------------------\n Module AERO_BUDGET\n\n! Collects Aerosol Microphysical Process Rates\n!\n!-----------------------------------------------------------------------\n\n Implicit None\n\n SAVE\n\n ! These Arrays are sorted in the same manner as CGRID so they may\n ! be directly applied in modules like Process Analysis and ISAM\n REAL, ALLOCATABLE :: AERO_COAG ( :,:,:,: ) ! Change in Species due to Coagulation\n REAL, ALLOCATABLE :: AERO_COND ( :,:,:,: ) ! Change in Species due to Condensation\n REAL, ALLOCATABLE :: AERO_NPF ( :,:,:,: ) ! Change in Species due to NPF\n REAL, ALLOCATABLE :: AERO_GROWTH( :,:,:,: ) ! Change in species due to aerosol \n ! renaming (mode merging)\n\n! Contains\n\nC-----------------------------------------------------------------------\n\n End Module AERO_BUDGET\n" }, { "path": "CCTM/src/aero/aero6/AERO_DATA.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n Module aero_data\n\nC Defines aerosol species arrays and the parameters required in aerosol\nC processing.\n\nC Contains:\nC Subroutine map_aero\nC Subroutine extract_aero\nC Subroutine update_aero\nC Function findAero\n\nC Revision History:\nC First version was coded in April 2010 by Steve Howard with\nC Prakash Bhave, Jeff Young, and Sergey Napelenok.\n\nC HS = Heather Simon; GS = Golam Sarwar; SH = Steve Howard; SR = Shawn Roselle;\nC JY = Jeff Young; HOTP = Havala Pye; KF = Kathleen Fahey, CGN = Chris Nolte;\nC PL = Peng Liu; BM = Ben Murphy; BH = Bill Hutzell, NS = Nash Skipper\n\nC HS 01/24/11 Updated to initial AERO6; PMOTHR -> 9 species\nC GS 03/02/11 Revised parameters for Mg, K, and Ca\nC SH 03/10/11 Inserted functionality of PMEM_DEFN\nC -new subroutine map_pmemis\nC HS 03/10/11 Made PNCOM a required species\nC SR 03/25/11 Replaced I/O API include files with UTILIO_DEFN\nC SH 04/04/11 Added sea-salt speciation factors\nC GS 04/09/11 Updated sea-salt speciation; replaced ANAK with ASEACAT;\nC made MG, K, CA, SEACAT required species;\nC JY 04/21/11 Added optional log messages (verbose_aero)\nC JY 05/02/11 Added Reshape to aerospc_ssf initialization for pgf90 compiler\nC BH 08/31/11 Adapted for mercury and HAP mechanisms\nC JY 06/08/12 remove full character blank padding put in for GNU Fortran (GCC) 4.1.2\nC HOTP 01/16/13 Removed isoprene acid enhanced aerosol and added new isoprene aerosol\nC HOTP 01/18/13 Added information for particle phase reaction of isoprene products\nC based on Eddingsaas et al. 2010\nC KF 09/17/14 Changed emitted modal PM mass fractions and geometric mean diameter and\nC geometric standard deviation of emitted particles according to\nC Elleman and Covert (2010)\nC HOTP 09/27/14 Added alkane and PAH SOA species. PAH SOA densities follow Chan et al.\nC JY 08/24/15 Changed visual index factors\nC HOTP 2/17/2016 Updated SOA densities. BTX follows Ng et al. 2007.\nC 1.4 g/cm3 used by default.\nC JY 02/17/16 Created named constants for speciation and other factors for AERO_EMIS,\nC DUST_EMIS, aero_subs:VOLINORG, and aqchem\nC CGN 04/14/16 Changed AMGJ speciation factor from 0.0 to 0.019 following Upadhyay et al.\nC HOTP,BM 5/20/16 Updated to work with all ae6 mechs (6, 6i, 6mp)\nC PL 05/15/16 Update visual_idx, and add visual_idx_large in spcs_type, due to ammonium sulfate, nitrate and OM\nC are split into small and large modes.\nC visual_idx for ammonium is zero, because it will be treated together with sulfate and nitrate\nC see Pitchford et al., Journal of the Air & Waste Management Association (57)(2007), pp 1326\nC PL 05/15/16 Add \"om\" in spcs_type, to flag organic aerosols, which\nC will be used to calculate total mass of organic aerosls for estimating\nC aerosol extinction efficiency\nC HOTP 7/17/2018 Added kappaorg hygroscopicity parameter (Petters and\nC Kreidenweis 2007 ACP) for organic aerosols. kappa should be zero for\nC species that are not organic. Water uptake onto inorganics calculated using ISORROPIA.\nC POC+NCOM kappa is set to zero and calculated in SOA_DEFN if those species are in use.\nC Current kappaorg values are based on species specific\nC OM/OC ratios (Pye et al. 2017 ACP).\nC GS 08/17/81 Added bromide in seasalt\nC SR 12/14/2018 Added sulfur tracking option\nC SLN 12/30/2019 ddm-3d implementaiton for v 5.3.1\nC 10 Mar 2021 G. Sarwar: Changed CB6R3M_AE7_KMTBR to CB6R3M_AE7_AQ\nC 10 June 2021 G. Sarwar: Added CB6R5M_AE7_AQ\nC 23 Jun 21 G. Sarwar: Replaced CB6R3M with CB6R5M\nC NS 11/28/2023 CRACMM2 updates\n\nC References:\nC 1. Eddingsaas, N. C., Vandervelde, D. G., Wennberg, P. O., \"Kinetics and\nC products of the acid-catalyzed ring-opening of atmospherically relevant\nC butyl epoxy alcohols,\" J. Phys. Chem. A., 2010, 114, 8106-8113.\nC 2. Chan, et al., \"Secondary organic aerosol formation from photooxidation\nC of naphthalene and alkylnaphthalenes: implications for oxidation of\nC intermediate volatility organic compounds (IVOCs)\", Atmos. Chem. Phys.,\nC 2009, 9, 3049-3060.\nC 3. Ng, N. L., Kroll, J. H., Chan, A. W. H., Chhabra, P. S., Flagan, R.\nC C., and Seinfeld, J. H.: Secondary organic aerosol formation from\nC m-xylene, toluene, and benzene, Atmos. Chem. Phys., 7, 3909-3922,\nC doi:10.5194/acp-7-3909-2007, 2007.\nC 4. Elleman and Covert, \"Aerosol size distribution modeling with the Community Multiscale\nC Air Quality modeling system in the Pacific Northwest: 3. Size distribution of\nC particles emitted into a mesoscale model\", JGR, 115, D03204, 2010\nC 5. Simon, et al., \"The development and uses of EPA's SPECIATE database\",\nC Atmos. Poll. Res., 1, 196-206, 2010\nC 6. Upadhyay, et al., \"Size-Differentiated Chemical Composition of Re-Suspended Soil\nC Dust from the Desert Southwest United States,\" Aero. and AQ Res., 2015, 387-398\n\nC JY: From Christian Hogrefe...\nC Based on Malm and Hand (Atmos. Env. 41, 3407-3427, 2007), the revised\nC IMPROVE extinction calculation includes coarse particles, sea salt, and\nC a relative humidity correction for sea salt. Also, the factor for \"LAC\"\nC (light absorbing carbon, i.e. AECI and AECJ) should be 10, not 0 since\nC both scattering and absorption contribute to total extinction.\nC ASEACAT includes all sea-salt cations in coarse mode (Na, Ca, K, and Mg)\nC Also note...\nC In the Fortran user-derived spcs_type, below, visual_idx is an optimal dry mass\nC extinction efficiency [m^2/g], see White, Atmos.Env., 294(10)(1990), pp 2673-1672\nC and Malm, et al., JGR, 99(D1)(1994), pp 1347-1370\nC----------------------------------------------------------------------\n USE RUNTIME_VARS\n Use utilio_defn\n#ifdef sens\n USE DDM3D_DEFN, ONLY : NP, NPMAX\n Use aero_ddm3d, ONLY : s_aerospc_conc, ae_ddm3d_ready,\n & init_aero_ddm3d\n#endif \n\n\n Implicit None\n\nC Define Logical values as T and F for the aerospc table\n Logical, Parameter, Private :: T = .true.\n Logical, Parameter, Private :: F = .false.\n\nC Number of aerosol species and modes\n\n Integer, Parameter :: n_aerolist = 139 ! number of aero species\n Integer, Parameter :: n_mode = 3 ! number of modes:\n Integer, Parameter :: iait = 1 ! 1 = Aitken \n Integer, Parameter :: iacc = 2 ! 2 = accumulation \n Integer, Parameter :: icor = 3 ! 3 = coarse \n \n Logical, Parameter :: reqd_modes( n_mode ) = (/ T,T,T /)\n Character(1), Parameter :: modesuff( n_mode ) = (/ 'I','J','K' /)\n\n Integer, Save :: n_aerospc ! number of aero species\n\nC Default minimum concentration\n Real, Parameter :: conmin = 1.0E-23 ! [ ug m-3 ]\n Real(8), Parameter :: conminD = 1.0D-23 ! [ ug m-3 ]\n Real, Parameter :: evapmin = 1.0E-20 ! [ ug m-3 ]\n Real(8), Parameter :: evapminD= 1.0D-20 ! [ ug m-3 ]\n Real, Parameter :: cm_set( n_mode ) = (/conmin, conmin, conmin/)\n Real, Parameter :: cm_so4( n_mode ) = (/conmin, conmin, conmin/)\n Real, Parameter :: cm_cor( n_mode ) = (/conmin, conmin, conmin/)\n\n Real, Parameter :: def_diam( n_mode ) = (/ 15.0E-9, 80.0E-9, 600.0E-9 /) ! default background mean diameter for each mode\n Real, Parameter :: min_dg_dry( n_mode ) = (/ 1.0E-9, 30.0E-9, 120.0E-9 /)\n Real, Parameter :: max_dg_dry( n_mode ) = (/ 80.0E-9, 500.0E-9, 100.0E-6 /)\n Real, Parameter :: min_dg_wet( n_mode ) = (/ 1.0E-9, 30.0E-9, 120.0E-9 /)\n Real, Parameter :: max_dg_wet( n_mode ) = (/ 160.0E-9,1500.0E-9,300.0E-6 /)\n\n Real, Parameter :: def_sigma_g( n_mode ) = (/ 1.70, 2.0, 2.2 /) ! default background sigma-g for each mode\n Real, Parameter :: min_sigma_g = 1.05\n Real, Parameter :: max_sigma_g = 2.5001\n Real, Save :: def_l2sg( n_mode ), max_l2sg, min_l2sg \n\nC If FIXED_sg = T, atkn & accum std. dev. are not changed by GETPAR\nC If FIXED_sg = F, the second moment will be adjusted if the standard\nC deviation (sigma_g) is outside of the bounds specified \nC by min_sigma_g and max_sigma_g.\n LOGICAL, PARAMETER :: FIXED_sg = .FALSE.\n\nC Flag to obtain coagulation coefficients\nC by analytical approximation (True) or by Gauss-Hermite quadrature (False)\n Logical, Parameter :: fastcoag_flag = .True.\n Integer, Parameter :: coag_moments = 2 ! Number of moments to consider \n ! for coagulation \n ! 2 = number and volume\n ! 3 = number, volume, and surface area\n\nC-------------------------------------------------------------------------------------------------------\n\n Type spcs_type\n Character( 16 ) :: name( n_mode ) ! mode-dependent names of aerosol species\n Character( 16 ) :: bulkname ! mode-independent names of aerosol species\n Logical :: lait ! Available in Aitken Mode\n Logical :: lacc ! Available in Accumulation Mode\n Logical :: lcor ! Available in Coarse Mode\n Real :: min_conc( n_mode ) ! minimum concentration values for each mode\n Real :: density ! density [ kg m-3 ]\n Character( 16 ) :: gasname ! Gas species in equilibrium with this aerosol component\n Character( 16 ) :: ctrname ! Rxn Counter Species used to calculate production of \n ! this component if irreversible partitioning is assumed\n Real :: ctr_yield ! Yield of Reaction Counter when forming condensed mass\n Character( 3 ) :: voltype ! Type of production to be implemented for this species. \n ! Options are: REV = Reversible, IRV = Irreversible, \n ! NVL = Nonvolatile\n Logical :: no_M2Wet ! flag to exclude from 2nd moment during transport\n Logical :: tracer ! tracer flag; does have not mass\n Integer :: charge ! electroneutrality charge\n Real :: visual_idx ! visual index factor [ m2 g-1 ]\n Real :: visual_idx_large ! visual index factor [ m2 g-1 ] for large mode, if not applicable, same value as visual_idx\n Logical :: om ! flag for organic aerosols\n Character( 16 ) :: optic_surr ! optical surrogate name\n Real :: kappaorg ! hygroscopicity parameter for organic aerosol (excluding POC+NCOM which must be calculated)\n End Type spcs_type\n Type( spcs_type ), Allocatable, Save :: aerospc ( : )\n \n\n ! Master List of Aerosol Species and Properties\n Type spcs_list_type\n Character( 16 ) :: bulkname ! mode-independent names of aerosol species\n Logical :: lait ! Available in Aitken Mode\n Logical :: lacc ! Available in Accumulation Mode\n Logical :: lcor ! Available in Coarse Mode\n Real :: min_conc( n_mode ) ! minimum concentration values for each mode\n Real :: density ! density [ kg m-3 ]\n Character( 16 ) :: gasname ! Gas species in equilibrium with this aerosol component\n Character( 16 ) :: ctrname ! Rxn Counter Species used to calculate production of \n ! this component if irreversible partitioning is assumed\n Real :: ctr_yield ! Yield of Reaction Counter when forming condensed mass\n Character( 3 ) :: voltype ! Type of production to be implemented for this species. \n ! Options are: REV = Reversible, IRV = Irreversible, \n ! NVL = Nonvolatile\n Logical :: no_M2Wet ! flag to exclude from 2nd moment during transport\n Logical :: tracer ! tracer flag; does have not mass\n Integer :: charge ! electroneutrality charge\n Real :: visual_idx ! visual index factor [ m2 g-1 ]\n Real :: visual_idx_large ! visual index factor [ m2 g-1 ] for large mode, if not applicable, same value as visual_idx\n Logical :: om ! flag for organic aerosols\n Character( 16 ) :: optic_surr ! optical surrogate name\n Real :: kappaorg ! hygroscopicity parameter for organic aerosol (excluding POC+NCOM which must be calculated)\n End Type spcs_list_type\n\n Type( spcs_list_type ), Parameter :: aerolist( n_aerolist ) = (/\nC Visidx_Large\nC no_M2Wet Tracer |\nC | | Charge | OM \nC Name T A C Min_Con Density Gas-Name CTR-Name Yield Vol | | | Visidx | | OptSurr korg \nC ---------- - - - ------- ------- ---------- --------- ----- ----- + + + ------ --- + -------- ----- \n & spcs_list_type('ASO4 ',T,T,T, cm_so4, 1800.0, 'SULF ','SULRXN ',1.0 ,'IRV',F,F, -2, 2.2, 4.8,F, 'SOLUTE', 0.00), ! Sulfate\n & spcs_list_type('ANO3 ',T,T,T, cm_set, 1800.0, 'HNO3 ',' ',0.0 ,'REV',F,F, -1, 2.4, 5.1,F, 'SOLUTE', 0.00), ! Nitrate\n & spcs_list_type('ACL ',T,T,T, cm_set, 2200.0, 'HCL ',' ',0.0 ,'REV',F,F, -1, 1.7, 1.7,F, 'SOLUTE', 0.00), ! Chloride\n & spcs_list_type('ANH4 ',T,T,T, cm_set, 1800.0, 'NH3 ',' ',0.0 ,'REV',F,F, 1, 0.0, 0.0,F, 'SOLUTE', 0.00), ! Ammonium\n & spcs_list_type('ANA ',T,T,F, cm_set, 2200.0, ' ',' ',0.0 ,'NVL',F,F, 1, 1.7, 1.7,F, 'SOLUTE', 0.00), ! Sodium\n & spcs_list_type('AMG ',F,T,F, cm_set, 2200.0, ' ',' ',0.0 ,'NVL',F,F, 2, 1.0, 1.0,F, 'DUST ', 0.00), ! Magnesium\n & spcs_list_type('AK ',F,T,F, cm_set, 2200.0, ' ',' ',0.0 ,'NVL',F,F, 1, 1.0, 1.0,F, 'DUST ', 0.00), ! Potassium\n & spcs_list_type('ACA ',F,T,F, cm_set, 2200.0, ' ',' ',0.0 ,'NVL',F,F, 2, 1.0, 1.0,F, 'DUST ', 0.00), ! Calcium\n & spcs_list_type('APOC ',T,T,F, cm_set, 1400.0, ' ',' ',0.0 ,'NVL',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.00), ! POA Carbon\n & spcs_list_type('APNCOM ',T,T,F, cm_set, 1400.0, ' ',' ',0.0 ,'NVL',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.00), ! POA Non-Carbon #10\n & spcs_list_type('AEC ',T,T,F, cm_set, 2200.0, ' ',' ',0.0 ,'NVL',F,F, 0, 10.0,10.0,F, 'SOOT ', 0.00), ! Elemental (Black) Carbon\n & spcs_list_type('AFE ',F,T,F, cm_set, 2200.0, ' ',' ',0.0 ,'NVL',F,F, 0, 1.0, 1.0,F, 'DUST ', 0.00), ! Iron\n & spcs_list_type('AOTHR ',T,T,F, cm_set, 2200.0, ' ',' ',0.0 ,'NVL',F,F, 0, 1.0, 1.0,F, 'DUST ', 0.00), ! Other \n & spcs_list_type('AAL ',F,T,F, cm_set, 2200.0, ' ',' ',0.0 ,'NVL',F,F, 0, 1.0, 1.0,F, 'DUST ', 0.00), ! Aluminum\n & spcs_list_type('ASI ',F,T,F, cm_set, 2200.0, ' ',' ',0.0 ,'NVL',F,F, 0, 1.0, 1.0,F, 'DUST ', 0.00), ! Silicon\n & spcs_list_type('ATI ',F,T,F, cm_set, 2200.0, ' ',' ',0.0 ,'NVL',F,F, 0, 1.0, 1.0,F, 'DUST ', 0.00), ! Titanium\n & spcs_list_type('AMN ',F,T,F, cm_set, 2200.0, ' ',' ',0.0 ,'NVL',F,F, 0, 1.0, 1.0,F, 'DUST ', 0.00), ! Manganese\n & spcs_list_type('AH2O ',T,T,T, cm_set, 1000.0, ' ',' ',0.0 ,'H2O',T,F, 0, 0.0, 0.0,F, 'WATER ', 0.00), ! Water\n & spcs_list_type('AORGH2O ',F,T,F, cm_set, 1000.0, ' ',' ',0.0 ,'H2O',T,F, 0, 0.0, 0.0,F, 'WATER ', 0.00), ! Organic Water\n & spcs_list_type('AH3OP ',T,T,T, cm_set, 1000.0, ' ',' ',0.0 ,'H2O',T,T, 0, 0.0, 0.0,F, 'WATER ', 0.00), ! Hydronium #20\n & spcs_list_type('AALK1 ',F,T,F, cm_set, 1400.0, 'SVALK1 ','ALKRXN ',.0334,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.07), ! Alkane SOA 1 \n & spcs_list_type('AALK2 ',F,T,F, cm_set, 1400.0, 'SVALK2 ','ALKRXN ',.2164,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.06), ! Alkane SOA 2\n & spcs_list_type('AXYL1 ',F,T,F, cm_set, 1480.0, 'SVXYL1 ','XYLNRXN',.0310,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.17), ! Xylene SOA 1\n & spcs_list_type('AXYL2 ',F,T,F, cm_set, 1480.0, 'SVXYL2 ','XYLNRXN',.0900,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.11), ! Xylene SOA 2\n & spcs_list_type('AXYL3 ',F,T,F, cm_set, 1330.0, ' ','XYLHRXN',.3600,'IRV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.15), ! Xylene SOA 3\n & spcs_list_type('ATOL1 ',F,T,F, cm_set, 1240.0, 'SVTOL1 ','TOLNRXN',.0580,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.15), ! Toluene SOA 1\n & spcs_list_type('ATOL2 ',F,T,F, cm_set, 1240.0, 'SVTOL2 ','TOLNRXN',.1130,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.10), ! Toluene SOA 2\n & spcs_list_type('ATOL3 ',F,T,F, cm_set, 1450.0, ' ','TOLHRXN',.3000,'IRV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.20), ! Toluene SOA 3\n & spcs_list_type('ABNZ1 ',F,T,F, cm_set, 1400.0, 'SVBNZ1 ','BNZNRXN',.0720,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.19), ! Benzene SOA 1\n & spcs_list_type('ABNZ2 ',F,T,F, cm_set, 1400.0, 'SVBNZ2 ','BNZNRXN',.8880,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.15), ! Benzene SOA 2 #30\n & spcs_list_type('ABNZ3 ',F,T,F, cm_set, 1400.0, ' ','BNZHRXN',.3700,'IRV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.23), ! Benzene SOA 3 \n & spcs_list_type('ATRP1 ',F,T,F, cm_set, 1400.0, 'SVTRP1 ','TRPRXN ',.1393,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.10), ! Terpene SOA 1\n & spcs_list_type('ATRP2 ',F,T,F, cm_set, 1400.0, 'SVTRP2 ','TRPRXN ',.4542,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.10), ! Terpene SOA 2\n & spcs_list_type('AISO1 ',F,T,F, cm_set, 1400.0, 'SVISO1 ','ISOPRXN',.2320,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.14), ! Isoprene SOA 1\n & spcs_list_type('AISO2 ',F,T,F, cm_set, 1400.0, 'SVISO2 ','ISOPRXN',.0288,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.15), ! Isoprene SOA 2\n & spcs_list_type('AISO3 ',F,T,F, cm_set, 1400.0, ' ',' ',.0000,'NVL',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.21), ! Isoprene SOA 3\n & spcs_list_type('ASQT ',F,T,F, cm_set, 1400.0, 'SVSQT ','SESQRXN',1.537,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.07), ! Sesquiterpene SOA\n & spcs_list_type('AHOM ',F,T,F, cm_set, 1400.0, 'HOM ',' ',0.0 ,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.13), ! HOM SOA\n & spcs_list_type('AELHOM ',F,T,F, cm_set, 1400.0, 'ELHOM ',' ',0.0 ,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.09), ! ELHOM SOA\n & spcs_list_type('APAH1 ',F,T,F, cm_set, 1480.0, 'SVPAH1 ','PAHNRXN',0.210,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.08), ! PAH SOA 1\n & spcs_list_type('APAH2 ',F,T,F, cm_set, 1480.0, 'SVPAH2 ','PAHNRXN',1.070,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.06), ! PAH SOA 2\n & spcs_list_type('APAH3 ',F,T,F, cm_set, 1550.0, ' ','PAHHRXN',0.730,'IRV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.09), ! PAH SOA 3 #40\n & spcs_list_type('AOLGA ',F,T,F, cm_set, 1400.0, ' ',' ',0.0 ,'NVL',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.18), ! Anth. Oligomer SOA \n & spcs_list_type('AOLGB ',F,T,F, cm_set, 1400.0, ' ',' ',0.0 ,'NVL',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.13), ! Biogenic Oligomer SOA\n & spcs_list_type('AORGC ',F,T,F, cm_set, 1400.0, ' ',' ',0.0 ,'NVL',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.12), ! Cloud-Processed SOA\n & spcs_list_type('ASOIL ',F,F,T, cm_set, 2600.0, ' ',' ',0.0 ,'NVL',F,F, 0, 0.6, 0.6,F, 'DUST ', 0.00), ! Soil\n & spcs_list_type('ACORS ',F,F,T, cm_cor, 2200.0, ' ',' ',0.0 ,'NVL',F,F, 0, 0.6, 0.6,F, 'DUST ', 0.00), ! Coarse PM\n & spcs_list_type('ASEACAT ',F,F,T, cm_cor, 2200.0, ' ',' ',0.0 ,'NVL',F,F, 1, 1.7, 1.7,F, 'SOLUTE', 0.00), ! SeaSpray Cations \n \n ! Associated with ae6i \n & spcs_list_type('AMTNO3 ',F,T,F, cm_set, 1400.0, 'MTNO3 ',' ',0.0 ,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.11), ! Monoterpene Nitrate SOA\n & spcs_list_type('AISOPNN ',F,T,F, cm_set, 1400.0, 'ISOPNN ',' ',0.0 ,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.32), ! Isoprene Nitrate SOA\n & spcs_list_type('AMTHYD ',F,T,F, cm_set, 1400.0, ' ',' ',0.0 ,'NVL',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.07), ! \n & spcs_list_type('AIETET ',F,T,F, cm_set, 1400.0, ' ',' ',0.0 ,'NVL',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.15), ! Iso. Tetrol SOA #50\n & spcs_list_type('AIEOS ',F,T,F, cm_set, 1400.0, ' ',' ',0.0 ,'NVL',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.30), ! Iso. Organosulfate SOA \n & spcs_list_type('ADIM ',F,T,F, cm_set, 1400.0, ' ',' ',0.0 ,'NVL',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.13), !\n & spcs_list_type('AIMGA ',F,T,F, cm_set, 1400.0, ' ',' ',0.0 ,'NVL',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.18), !\n & spcs_list_type('AIMOS ',F,T,F, cm_set, 1400.0, ' ',' ',0.0 ,'NVL',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.36), !\n\n ! Associated with cracmm1\n & spcs_list_type('AISO3NOS',F,T,F,cm_set, 1400.0, ' ',' ',0.0 ,'NVL',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.15), ! Iso. nonsulfated SOA\n & spcs_list_type('AISO3OS ',F,T,F,cm_set, 1400.0, ' ',' ',0.0 ,'NVL',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.30), ! Iso. Organosulfate SOA\n\n ! Updated monoterpene SOA following Saha and Grieshop ES&T 2016 \n & spcs_list_type('AMT1 ',F,T,F, cm_set, 1400.0, 'SVMT1 ','TRPRXN ',0.040,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.08), ! MT SOA Lowest Volatility\n & spcs_list_type('AMT2 ',F,T,F, cm_set, 1400.0, 'SVMT2 ','TRPRXN ',0.032,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.08), ! \n & spcs_list_type('AMT3 ',F,T,F, cm_set, 1400.0, 'SVMT3 ','TRPRXN ',0.032,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.09), !\n & spcs_list_type('AMT4 ',F,T,F, cm_set, 1400.0, 'SVMT4 ','TRPRXN ',0.103,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.07), !\n & spcs_list_type('AMT5 ',F,T,F, cm_set, 1400.0, 'SVMT5 ','TRPRXN ',0.143,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.07), !\n & spcs_list_type('AMT6 ',F,T,F, cm_set, 1400.0, 'SVMT6 ','TRPRXN ',0.285,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.05), ! #60\n & spcs_list_type('AMT7 ',F,T,F, cm_set, 1400.0, 'SVMT7 ','TRPRXN ',0.160,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.06), ! MT SOA Highest Volatility\n \n ! ae6i and cb6 \n & spcs_list_type('AGLY ',F,T,F, cm_set, 1400.0, ' ',' ',0.0 ,'NVL',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.13), ! Glyoxal SOA\n \n ! Semivolatile POA \n & spcs_list_type('ALVPO1 ',T,T,F, cm_set, 1400.0, 'VLVPO1 ',' ',0.0 ,'REV',F,F, 0, 4.0, 6.1,T, 'DUST ', 0.05), ! LV-POA\n & spcs_list_type('ASVPO1 ',T,T,F, cm_set, 1400.0, 'VSVPO1 ',' ',0.0 ,'REV',F,F, 0, 4.0, 6.1,T, 'DUST ', 0.05), ! SV-POA 1\n & spcs_list_type('ASVPO2 ',T,T,F, cm_set, 1400.0, 'VSVPO2 ',' ',0.0 ,'REV',F,F, 0, 4.0, 6.1,T, 'DUST ', 0.04), ! SV-POA 2\n & spcs_list_type('ASVPO3 ',F,T,F, cm_set, 1400.0, 'VSVPO3 ',' ',0.0 ,'REV',F,F, 0, 4.0, 6.1,T, 'DUST ', 0.03), ! SV-POA 3\n & spcs_list_type('AIVPO1 ',F,T,F, cm_set, 1400.0, 'VIVPO1 ',' ',0.0 ,'REV',F,F, 0, 4.0, 6.1,T, 'DUST ', 0.03), ! IV-POA \n & spcs_list_type('ALVOO1 ',T,T,F, cm_set, 1400.0, 'VLVOO1 ',' ',0.0 ,'REV',F,F, 0, 4.0, 6.1,T, 'DUST ', 0.15), ! LV-SOA 1 \n & spcs_list_type('ALVOO2 ',T,T,F, cm_set, 1400.0, 'VLVOO2 ',' ',0.0 ,'REV',F,F, 0, 4.0, 6.1,T, 'DUST ', 0.13), ! LV-SOA 2\n & spcs_list_type('ASVOO1 ',T,T,F, cm_set, 1400.0, 'VSVOO1 ',' ',0.0 ,'REV',F,F, 0, 4.0, 6.1,T, 'DUST ', 0.11), ! SV-SOA 1 #70\n & spcs_list_type('ASVOO2 ',T,T,F, cm_set, 1400.0, 'VSVOO2 ',' ',0.0 ,'REV',F,F, 0, 4.0, 6.1,T, 'DUST ', 0.09), ! SV-SOA 2\n & spcs_list_type('ASVOO3 ',F,T,F, cm_set, 1400.0, 'VSVOO3 ',' ',0.0 ,'REV',F,F, 0, 4.0, 6.1,T, 'DUST ', 0.08), ! SV-SOA 3\n & spcs_list_type('APCSO ',F,T,F, cm_set, 1400.0, 'LVPCSOG','PCSOARXN',1.0 ,'REV',F,F, 0, 4.0, 6.1,T, 'DUST ', 0.12), ! pcSOA\n \n ! Lumped anthropogenic SOA (introduced aero7, M. Qin, 8/2018)\n & spcs_list_type('AAVB1 ',F,T,F, cm_set, 1400.0, 'SVAVB1 ',' ',0.0 ,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.20),\n & spcs_list_type('AAVB2 ',F,T,F, cm_set, 1400.0, 'SVAVB2 ',' ',0.0 ,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.15),\n & spcs_list_type('AAVB3 ',F,T,F, cm_set, 1400.0, 'SVAVB3 ',' ',0.0 ,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.14),\n & spcs_list_type('AAVB4 ',F,T,F, cm_set, 1400.0, 'SVAVB4 ',' ',0.0 ,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.12),\n \n ! CRACMM SVOCs and LVOCs \n & spcs_list_type('AOP3 ',F,T,F,cm_set,1400.0,'OP3 ',' ',0.0 ,'REV',F,F, 0, 4.0, 6.1,T, 'DUST ', 0.05), ! \n & spcs_list_type('AROCN2ALK ',T,T,F,cm_set,1400.0,'VROCN2ALK',' ',0.0 ,'REV',F,F, 0, 4.0, 6.1,T, 'DUST ', 0.05), ! \n & spcs_list_type('AROCN1ALK ',T,T,F,cm_set,1400.0,'VROCN1ALK',' ',0.0 ,'REV',F,F, 0, 4.0, 6.1,T, 'DUST ', 0.05), ! \n & spcs_list_type('AROCP0ALK ',T,T,F,cm_set,1400.0,'VROCP0ALK',' ',0.0 ,'REV',F,F, 0, 4.0, 6.1,T, 'DUST ', 0.04), ! \n & spcs_list_type('AROCP1ALK ',T,T,F,cm_set,1400.0,'VROCP1ALK',' ',0.0 ,'REV',F,F, 0, 4.0, 6.1,T, 'DUST ', 0.03), ! \n & spcs_list_type('AROCP2ALK ',F,T,F,cm_set,1400.0,'VROCP2ALK',' ',0.0 ,'REV',F,F, 0, 4.0, 6.1,T, 'DUST ', 0.03), ! \n & spcs_list_type('AROCP3ALK ',F,T,F,cm_set,1400.0,'VROCP3ALK',' ',0.0 ,'REV',F,F, 0, 4.0, 6.1,T, 'DUST ', 0.03), ! \n & spcs_list_type('AROCN2OXY2',T,T,F,cm_set,1400.0,'VROCN2OXY2',' ',0.0 ,'REV',F,F, 0, 4.0, 6.1,T, 'DUST ', 0.15), ! \n & spcs_list_type('AROCN2OXY4',T,T,F,cm_set,1400.0,'VROCN2OXY4',' ',0.0 ,'REV',F,F, 0, 4.0, 6.1,T, 'DUST ', 0.15), ! \n & spcs_list_type('AROCN2OXY8',T,T,F,cm_set,1400.0,'VROCN2OXY8',' ',0.0 ,'REV',F,F, 0, 4.0, 6.1,T, 'DUST ', 0.15), ! \n & spcs_list_type('AROCN1OXY1',T,T,F,cm_set,1400.0,'VROCN1OXY1',' ',0.0 ,'REV',F,F, 0, 4.0, 6.1,T, 'DUST ', 0.13), ! \n & spcs_list_type('AROCN1OXY3',T,T,F,cm_set,1400.0,'VROCN1OXY3',' ',0.0 ,'REV',F,F, 0, 4.0, 6.1,T, 'DUST ', 0.13), ! \n & spcs_list_type('AROCN1OXY6',T,T,F,cm_set,1400.0,'VROCN1OXY6',' ',0.0 ,'REV',F,F, 0, 4.0, 6.1,T, 'DUST ', 0.13), ! \n & spcs_list_type('AROCP0OXY2',T,T,F,cm_set,1400.0,'VROCP0OXY2',' ',0.0 ,'REV',F,F, 0, 4.0, 6.1,T, 'DUST ', 0.11), ! \n & spcs_list_type('AROCP0OXY4',T,T,F,cm_set,1400.0,'VROCP0OXY4',' ',0.0 ,'REV',F,F, 0, 4.0, 6.1,T, 'DUST ', 0.11), ! \n & spcs_list_type('AROCP1OXY1',T,T,F,cm_set,1400.0,'VROCP1OXY1',' ',0.0 ,'REV',F,F, 0, 4.0, 6.1,T, 'DUST ', 0.09), ! \n & spcs_list_type('AROCP1OXY3',T,T,F,cm_set,1400.0,'VROCP1OXY3',' ',0.0 ,'REV',F,F, 0, 4.0, 6.1,T, 'DUST ', 0.09), ! \n & spcs_list_type('AROCP2OXY2',F,T,F,cm_set,1400.0,'VROCP2OXY2',' ',0.0 ,'REV',F,F, 0, 4.0, 6.1,T, 'DUST ', 0.08), ! \n & spcs_list_type('AROCP3OXY2',F,T,F,cm_set,1400.0,'VROCP3OXY2',' ',0.0 ,'REV',F,F, 0, 4.0, 6.1,T, 'DUST ', 0.08), ! \n \n ! The following species are associated with the Multi-Pollutant code\n & spcs_list_type('ANI ',T,T,T, cm_set, 2200.0, ' ',' ',0.0 ,'NVL',F,T, 0, 0.0, 0.0,F, 'DUST ', 0.00), ! Nickel\n & spcs_list_type('ACR_VI ',T,T,T, cm_set, 2200.0, ' ',' ',0.0 ,'NVL',F,T, 0, 0.0, 0.0,F, 'DUST ', 0.00), ! Chromium 6\n & spcs_list_type('ACR_III ',T,T,T, cm_set, 2200.0, ' ',' ',0.0 ,'NVL',F,T, 0, 0.0, 0.0,F, 'DUST ', 0.00), ! Chromium 3 #80\n & spcs_list_type('ABE ',T,T,T, cm_set, 2200.0, ' ',' ',0.0 ,'NVL',F,T, 0, 0.0, 0.0,F, 'DUST ', 0.00), ! Beryllium\n & spcs_list_type('APB ',T,T,T, cm_set, 2200.0, ' ',' ',0.0 ,'NVL',F,T, 0, 0.0, 0.0,F, 'DUST ', 0.00), ! Lead \n & spcs_list_type('ADE_OTHR',T,T,F, cm_set, 2200.0, ' ',' ',0.0 ,'NVL',F,T, 0, 0.0, 0.0,F, 'DUST ', 0.00), ! Diesel Fine PM \n & spcs_list_type('ADE_EC ',T,T,F, cm_set, 2200.0, ' ',' ',0.0 ,'NVL',F,T, 0, 0.0, 0.0,F, 'DUST ', 0.00), ! Diesel Black Carbon\n & spcs_list_type('ADE_OC ',T,T,F, cm_set, 2000.0, ' ',' ',0.0 ,'NVL',F,T, 0, 0.0, 0.0,F, 'DUST ', 0.00), ! Diesel Organic Carbon\n & spcs_list_type('ADE_NO3 ',F,T,F, cm_set, 1800.0, ' ',' ',0.0 ,'NVL',F,T, 0, 0.0, 0.0,F, 'DUST ', 0.00), ! Diesel Nitrate\n & spcs_list_type('ADE_SO4 ',F,T,F, cm_set, 1800.0, ' ',' ',0.0 ,'NVL',F,T, 0, 0.0, 0.0,F, 'DUST ', 0.00), ! Diesel Sulfate\n & spcs_list_type('ADE_CORS',F,F,T, cm_set, 2200.0, ' ',' ',0.0 ,'NVL',F,T, 0, 0.0, 0.0,F, 'DUST ', 0.00), ! Diesel Coarse PM\n & spcs_list_type('ACD ',T,T,T, cm_set, 2200.0, ' ',' ',0.0 ,'NVL',F,T, 0, 0.0, 0.0,F, 'DUST ', 0.00), ! Cadmium\n & spcs_list_type('AMN_HAPS',T,T,T, cm_set, 2200.0, ' ',' ',0.0 ,'NVL',F,T, 0, 0.0, 0.0,F, 'DUST ', 0.00), ! Manganese #90\n & spcs_list_type('APHG ',T,T,T, cm_set, 2200.0, 'HGIIAER','PHGRXN ',1.0 ,'IRV',F,T, 0, 0.0, 0.0,F, 'DUST ', 0.00), ! Mercury\n & spcs_list_type('AAS ',T,T,T, cm_set, 2200.0, ' ',' ',0.0 ,'NVL',F,T, 0, 0.0, 0.0,F, 'DUST ', 0.00), ! Arsenic #92\n & spcs_list_type('ABENAPY ',T,T,F, cm_set, 1400.0, 'BENAPY ',' ',1.0 ,'REV',F,T, 0, 0.0, 0.0,T, 'DUST ', 0.00), ! Benzo[a]pyrene #93\n \n ! The following species are associated with the marine chemistry code\n & spcs_list_type('ABR ',F,T,T, cm_set, 2200.0, ' ',' ',0.0 ,'NVL',F,F, -1, 1.7, 1.7,F, 'SOLUTE', 0.00), ! Bromide \n ! Species created for CRACMM\n & spcs_list_type('ASOAT ',F,T,F, cm_set, 1400.0, ' ',' ',0.0 ,'NVL',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.13), ! Lumped SOA not otherwise specified, OM/OC=2.1\n\n ! The following species are associated with the sulfur tracking model\n & spcs_list_type('ASO4AQH2O2',T,T,T,cm_set,1800.0, ' ',' ',0.0 ,'NVL',F,T, 0, 0.0, 0.0,F, 'SOLUTE', 0.00), ! SO4 from aqueous H2O2 rxn\n & spcs_list_type('ASO4AQO3 ',T,T,T,cm_set,1800.0, ' ',' ',0.0 ,'NVL',F,T, 0, 0.0, 0.0,F, 'SOLUTE', 0.00), ! SO4 from aqueous O3 rxn\n & spcs_list_type('ASO4AQFEMN',T,T,T,cm_set,1800.0, ' ',' ',0.0 ,'NVL',F,T, 0, 0.0, 0.0,F, 'SOLUTE', 0.00), ! SO4 from aqueous FEMN cat rxn\n & spcs_list_type('ASO4AQMHP ',T,T,T,cm_set,1800.0, ' ',' ',0.0 ,'NVL',F,T, 0, 0.0, 0.0,F, 'SOLUTE', 0.00), ! SO4 from aqueous MHP rxn\n & spcs_list_type('ASO4AQPAA ',T,T,T,cm_set,1800.0, ' ',' ',0.0 ,'NVL',F,T, 0, 0.0, 0.0,F, 'SOLUTE', 0.00), ! SO4 from aqueous PAA rxn\n & spcs_list_type('ASO4GAS ',T,T,T,cm_set,1800.0, ' ',' ',0.0 ,'NVL',F,T, 0, 0.0, 0.0,F, 'SOLUTE', 0.00), ! SO4 from gas rxn\n & spcs_list_type('ASO4EMIS ',T,T,T,cm_set,1800.0, ' ',' ',0.0 ,'NVL',F,T, 0, 0.0, 0.0,F, 'SOLUTE', 0.00), ! emitted SO4\n & spcs_list_type('ASO4ICBC ',T,T,T,cm_so4,1800.0, ' ',' ',0.0 ,'NVL',F,T, 0, 0.0, 0.0,F, 'SOLUTE', 0.00), ! SO4 from ICBCs\n \n ! The following species are associated with the sulfur tracking model, representing loss of tracked species to organosulfate\n & spcs_list_type('OSO4 ',T,T,T,cm_set,1800.0, ' ',' ',0.0 ,'NVL',F,T, 0, 0.0, 0.0,F, 'SOLUTE', 0.00), ! SO4 loss to organosulfate\n & spcs_list_type('OSO4AQH2O2',T,T,T,cm_set,1800.0, ' ',' ',0.0 ,'NVL',F,T, 0, 0.0, 0.0,F, 'SOLUTE', 0.00), ! SO4 from aqueous H2O2 rxn loss to organosulfate\n & spcs_list_type('OSO4AQO3 ',T,T,T,cm_set,1800.0, ' ',' ',0.0 ,'NVL',F,T, 0, 0.0, 0.0,F, 'SOLUTE', 0.00), ! SO4 from aqueous O3 rxn loss to organosulfate\n & spcs_list_type('OSO4AQFEMN',T,T,T,cm_set,1800.0, ' ',' ',0.0 ,'NVL',F,T, 0, 0.0, 0.0,F, 'SOLUTE', 0.00), ! SO4 from aqueous FEMN cat rxn loss to organosulfate\n & spcs_list_type('OSO4AQMHP ',T,T,T,cm_set,1800.0, ' ',' ',0.0 ,'NVL',F,T, 0, 0.0, 0.0,F, 'SOLUTE', 0.00), ! SO4 from aqueous MHP rxn loss to organosulfate\n & spcs_list_type('OSO4AQPAA ',T,T,T,cm_set,1800.0, ' ',' ',0.0 ,'NVL',F,T, 0, 0.0, 0.0,F, 'SOLUTE', 0.00), ! SO4 from aqueous PAA rxn loss to organosulfate\n & spcs_list_type('OSO4GAS ',T,T,T,cm_set,1800.0, ' ',' ',0.0 ,'NVL',F,T, 0, 0.0, 0.0,F, 'SOLUTE', 0.00), ! SO4 from gas rxn loss to organosulfate\n & spcs_list_type('OSO4EMIS ',T,T,T,cm_set,1800.0, ' ',' ',0.0 ,'NVL',F,T, 0, 0.0, 0.0,F, 'SOLUTE', 0.00), ! SO4 from emitted SO4 loss to organosulfate\n & spcs_list_type('OSO4ICBC ',T,T,T,cm_set,1800.0, ' ',' ',0.0 ,'NVL',F,T, 0, 0.0, 0.0,F, 'SOLUTE', 0.00), ! SO4 from ICBCs loss to organosulfate\n \n ! The following species are associated with CRACMM2\n & spcs_list_type('AISO4 ',F,T,F, cm_set, 1400.0, ' ',' ',0.0 ,'NVL',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.21), ! from heterogeneous uptake of IPX\n & spcs_list_type('AISO5 ',F,T,F, cm_set, 1400.0, ' ',' ',0.0 ,'NVL',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.18), ! from heterogeneous uptake of INALD\n & spcs_list_type('ATRPN ',F,T,F, cm_set, 1400.0, ' ',' ',0.0 ,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.10), ! SOA from first generation monoterpene nitrate\n & spcs_list_type('AHONIT ',F,T,F, cm_set, 1400.0, ' ',' ',0.0 ,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.14) ! SOA from second generation monoterpene nitrate\n & /) \n \n! Define Reference Emissions Size Distributions\n! Geometric mean (or median) diameter by volume (or mass) of emitted particles in\n! each mode [ m ] and geometric standard deviation of emitted particles. \n! See paragraph #14 of Binkowski & Roselle (2003).\n! 09/17/14 change by Kathleen Fahey - see Revision History, above.\n TYPE em_aero\n Character( 20 ) :: name\n Real :: split( n_mode ) ! dimensionless\n Real :: dgvem( n_mode ) ! meters\n Real :: sgem ( n_mode ) ! dimensionless\n END TYPE em_aero\n INTEGER, PARAMETER :: desid_n_aero_ref = 9\n\n TYPE( em_aero ), Parameter :: desid_aero_ref( desid_n_aero_ref ) = (/\n\n! ----Name---- -----Split----- ---Geo. Mean Diameter--- ---Stnd Dev.---\n & em_aero('FINE_REF ',(/0.1,0.9,0.0/),(/0.06E-6,0.28E-6 ,6.0E-6 /),(/1.7,1.7,2.2/)), ! Default Accum and Aitken Mode\n & em_aero('ACC_REF ',(/0.0,1.0,0.0/),(/0.06E-6,0.28E-6 ,6.0E-6 /),(/1.7,1.7,2.2/)), ! Just Accumulation Mode\n & em_aero('COARSE_REF ',(/0.0,0.0,1.0/),(/0.06E-6,0.28E-6 ,6.0E-6 /),(/1.7,1.7,2.2/)), ! Just Coarse Mode\n & em_aero('UNITY_REF ',(/1.0,1.0,1.0/),(/0.06E-6,0.28E-6 ,6.0E-6 /),(/1.7,1.7,2.2/)), ! Used for online sectors (e.g. SeaSpray)\n & em_aero('ZERO_REF ',(/0.0,0.0,0.0/),(/0.06E-6,0.28E-6 ,6.0E-6 /),(/1.7,1.7,2.2/)), ! Zero out the emissions\n & em_aero('FINE_WBDUST ',(/0.0,1.0,0.0/),(/0.06E-6,1.391E-6,5.26E-6/),(/1.7,2.0,2.0/)), ! Default Fine Wind-Blown Dust Parameterization\n & em_aero('COARSE_WBDUST ',(/0.0,0.0,1.0/),(/0.06E-6,1.391E-6,5.26E-6/),(/1.7,2.0,2.0/)), ! Default Coarse Wind-Blown Dust Param.\n & em_aero('FINE_SEASPRAY ',(/0.0,1.0,0.0/),(/0.06E-6,1.391E-6,5.26E-6/),(/1.7,2.0,2.0/)), ! Fine Sea Spray Parameterization is Dynamic. \n & em_aero('COARSE_SEASPRAY',(/0.0,0.0,1.0/),(/0.06E-6,1.391E-6,5.26E-6/),(/1.7,2.0,2.0/)) ! Coarse Sea Spray Parameterization is Dynamic. \n ! The values here are not actually used but\n ! are replaced in SSEMIS when FACNUM and FACSRF\n ! are calculated online.\n & /)\n\n! Primary Organic Aerosol Volatility Distributions\n Integer, Parameter :: n_vbs_bin = 5\n Character( 10 ) :: poa_name( n_vbs_bin ) = (/ 'LVPO1', 'SVPO1', 'SVPO2', 'SVPO3', 'IVPO1' /)\n Real, Parameter :: poa_op_vf( n_vbs_bin ) = (/ 0.09, 0.09, 0.14, 0.18, 0.5 /) ! Aggregated\n\n! The Following Volatility Distributions are alternative options\n! but at this point can only be implemented indivdually for the\n! entire POA suite of compounds.\n! Real, Parameter :: poa_gv_vf(n_vbs_bin) = (/0.27, 0.15, 0.26, 0.15, 0.17/) ! Gasoline\n! Real, Parameter :: poa_dv_vf(n_vbs_bin) = (/0.03, 0.25, 0.37, 0.24, 0.11/) ! Diesel\n! Real, Parameter :: poa_bb_vf(n_vbs_bin) = (/0.2, 0.1, 0.1, 0.2, 0.4/) ! Biomass Burning\n! Real, Parameter :: poa_nv_vf(n_vbs_bin) = (/1.0, 0.0, 0.0, 0.0, 0.0/) ! Nonvolatile\n! Real, Parameter :: poa_mc_vf(n_vbs_bin) = (/0.35, 0.35, 0.1, 0.1, 0.1/) ! Meat Cooking\n\n! POA_AMF is the fraction of total emissions in the particle phase.\n! This parameter is for distributing the total emissions between\n! gas and particle BEFORE the aerosol size distribution is applied.\n! This helps prevent numerical issues with shrinking the particles\n! instantaneously.\n Real, Parameter :: poa_amf( n_vbs_bin ) = (/ 1.0, 0.5, 0.0, 0.0, 0.0 /)\n Real, Parameter :: pog_amf( n_vbs_bin ) = (/ 0.0, 0.5, 1.0, 1.0, 1.0 /)\n \n! PCVOC_FAC is the scale factor for deriving PCVOC emissions from POA\n! emissions. PCVOC is the vapor precursor to pcSOA formation.\n Real, Parameter :: PCVOC_FAC = 6.579 ! Scale factor for PCVOC/POA\n ! Murphy et al., 2017\n\nC number of lognormal modes in windblown dust aerosol = n_mode\nC - but only accumulation and coarse modes used\n Type emis_table\n Character( 16 ) :: description ! Species Long Name\n Character( 16 ) :: name ! Species Name\n Real :: mw ! Molecular weight (g/mol)\n Real :: spcfac( 2 ) ! Speciation Factor for fine and coarse modes (g/g)\n End type emis_table\n\nC For the wind-blown dust speciation factors, we used the median of the Desert Soil\nC profiles 3398, 3403, 3408, and 3413 for the J mode from the SPECIATE database and\nC profiles 3399, 3404, 3409, and 3414 for coarse PM. (G. Pouliot - private communication)\nC See Ref. (4), above and https://cfpub.epa.gov/si/speciate/\n! For toxic metal species, more recent sources were consulted because the above profiles give large uncertainties in their \n! speciation factors\n! For the air toxics version of manganese, nickel, chromium(III), arsenic, and lead:\n! Table 2 in Y. Su, and R. Yang., Background concentrations of elements in surface soils and \n! their changes as affected by agriculture use in the desert-oasis ecotone in the middle of Heihe\n! River Basin, North-west China, Journal of Geochemical Exploration, 98, 2008, 57–64 was used.\n! The table represents natural desert soils prior to cultivation. Note that all chromium is \n! to be trivalent based on assuming low pH or anoxics conditions. \n! For cadmium:\n! The background mixing ratio was used from Table 3 in Su, C., Jiang, L.,and Zhang, W., \n! A review on heavy metal contamination in the soil worldwide: Situation, impact and \n! remediation techniques, Environmental Skeptics and Critics, 2014, 3(2): 24-38. \n! The table reviews worldwide cultivation soils.\n! For mercury:\n! Table 2 in D. Obrist et al., A synthesis of terrestrial mercury in the western United States: \n! Spatial distribution defined by land cover and plant productivity, Science of the Total Environment, \n! 568, 2016, 522–535.\n! Factors were based on mixing ratios for barren and cultivated land cover type\n! Speciation factors between j and k modes were assumed constant because no data was found.\n\nC maximum number of chemical species in windblown dust aerosol\n Integer, Parameter :: ndust_spc = 28\n\n \n Type( emis_table ) :: dust_spc( ndust_spc ) = (/\nC --description-- -- Species -- --MW-- ------ spcfac ------\nC fine coarse\n & emis_table( 'Sulfate ', 'SO4 ', 96.0, (/ 0.02250, 0.02655/) ), ! Sulfate\n & emis_table( 'Nitrate ', 'NO3 ', 62.0, (/ 0.00020, 0.00160/) ), ! Nitrate\n & emis_table( 'Chlorine ', 'CL ', 35.5, (/ 0.00945, 0.01190/) ), ! Chlorine\n & emis_table( 'Ammonium ', 'NH4 ', 18.0, (/ 0.00005, 0.0 /) ), ! Ammonium\n & emis_table( 'Sodium ', 'NA ', 23.0, (/ 0.03935, 0.0 /) ), ! Sodium\n & emis_table( 'Calcium ', 'CA ', 40.1, (/ 0.07940, 0.0 /) ), ! Calcium\n & emis_table( 'Magnesium ', 'MG ', 24.3, (/ 0.01900, 0.0 /) ), ! Magnesium\n & emis_table( 'Potassium ', 'K ', 39.1, (/ 0.03770, 0.0 /) ), ! Potassium\n & emis_table( 'Org. Carbon ', 'POC ', 220.0, (/ 0.01075, 0.0 /) ), ! Organic Carbon\n & emis_table( 'NonCarbon Org.', 'PNCOM ', 220.0, (/ 0.00430, 0.0 /) ), ! Non-Carbon Organic Matter\n & emis_table( 'Low-Vol. POA ', 'LVPO1 ', 218.0, (/ 0.01501, 0.0 /) ), ! Non-Carbon Organic Matter\n & emis_table( 'Low-Vol. OOA ', 'LVOO1 ', 136.0, (/ 2.23E-5, 0.0 /) ), ! Non-Carbon Organic Matter\n & emis_table( 'Black Carbon ', 'EC ', 12.0, (/ 0.0, 0.0 /) ), ! Black or Elemental Carbon\n & emis_table( 'Iron ', 'FE ', 55.8, (/ 0.03355, 0.0 /) ), ! Iron\n & emis_table( 'Aluminum ', 'AL ', 27.0, (/ 0.05695, 0.0 /) ), ! Aluminum\n & emis_table( 'Silicon ', 'SI ', 28.1, (/ 0.19425, 0.0 /) ), ! Silicon\n & emis_table( 'Titanium ', 'TI ', 47.9, (/ 0.00280, 0.0 /) ), ! Titanium\n & emis_table( 'Manganese ', 'MN ', 54.9, (/ 0.00115, 0.0 /) ), ! Manganese\n & emis_table( 'Water ', 'H2O ', 18.0, (/ 0.00541, 0.00637/) ), ! Water\n & emis_table( 'Undefined Mass', 'OTHR ', 200.0, (/ 0.48319, 0.0 /) ), ! Other\n & emis_table( 'Non-Anion Dust', 'SOIL ', 100.0, (/ 0.0, 0.95358/) ), ! Non-Anion Dust\n & emis_table( 'Air Toxics Mn ', 'MN_HAPS', 54.9, (/ 0.00041, 0.00041/) ), ! Air toxics Manganese J and K mode\n & emis_table( 'Nickel ', 'NI ', 58.7, (/ 2.0E-05, 2.0E-05/) ), ! Nickel J and K mode\n & emis_table( 'Chromium III ', 'CR_III ', 52.0, (/ 5.6E-05, 5.6E-05/) ), ! Trivalent Chromium J and K mode\n & emis_table( 'Arsenic ', 'AS ', 74.92,(/ 5.5E-06, 5.5E-06/) ), ! Arsenic J and K mode\n & emis_table( 'Lead ', 'PB ', 207.2, (/ 1.6E-05, 1.6E-05/) ), ! Lead J and K mode\n & emis_table( 'Cadmium ', 'CD ', 112.4, (/ 9.7E-08, 9.7E-08/) ), ! Cadmium J and K mode\n & emis_table( 'Mercury ', 'PHG ', 200.5, (/ 1.4E-08, 1.4E-08/) ) /) ! Mercury J and K mode\n\n ! Manually Enter the mode-dependent Density of the Dust Particles using the mass fractions in \n ! the dust_spc table and user-defined densities for each component. You may reference the aerolist \n ! for densities as well. Units are [kg/m3]. The appropriate calculation is:\n ! dust_dens = sum( frac_i ) / sum( frac_i / dens_i )\n ! Make sure to ignore any tracer species when performing this calculation.\n Real, Parameter :: dust_dens( n_mode ) = (/ 2200.0, 2156.55, 2536.92 /)\n\n Real, ALLOCATABLE, SAVE :: DUSTOUTM( :,:,: ) ! Wind-Blown Dust Mass Emiss Rate [ug/m3/s]\n Real, ALLOCATABLE, SAVE :: DUSTOUTN( :,:,: ) ! Wind-Blown Dust Number Emiss Rate [1/m3/s]\n Real, ALLOCATABLE, SAVE :: DUSTOUTS( :,:,: ) ! Wind-Blown Dust Surface Area Emiss Rate [m2/m3/s]\n\nC Sea-Spray Aerosol Speciation factors based on seawater composition:\n! For toxic metal species, Use Table 1 in K.W. Bruland and M.C. Lohan, 6.02 - Controls of Trace Metals in Seawater, \n! In Treatise on Geochemistry, edited by Heinrich D. Holland and Karl K. Turekian, Pergamon, Oxford, 2003, Pages 23-47,\n! ISBN 9780080437514, http://dx.doi.org/10.1016/B0-08-043751-6/06105-3.\n\nC number of chemical species in seawater aerosol composition\n integer, parameter :: nsea_spc = 17\n\n Type( emis_table ), Parameter :: sea_spc( nsea_spc ) = (/\nC -description-- -- Species -- --MW-- ------ spcfac ------\nC fine coarse\n & emis_table( 'Sulfate ', 'SO4 ', 96.0, (/ 0.07760, 0.07760/) ), ! Sulfate\n & emis_table( 'Chlorine ', 'CL ', 35.5, (/ 0.55380, 0.55380/) ), ! Chlorine\n & emis_table( 'Sodium ', 'NA ', 23.0, (/ 0.30860, 0.0 /) ), ! Sodium\n & emis_table( 'Calcium ', 'CA ', 40.1, (/ 0.01180, 0.0 /) ), ! Calcium\n & emis_table( 'Magnesium ', 'MG ', 24.3, (/ 0.03680, 0.0 /) ), ! Magnesium\n & emis_table( 'Potassium ', 'K ', 39.1, (/ 0.01140, 0.0 /) ), ! Potassium\n & emis_table( 'SeaSalt_Cation', 'SEACAT ', 23.75,(/ 0.0 , 0.36860/) ), ! Sea-Salt Cations\n & emis_table( 'Chromium VI ', 'CR_VI ', 52.0, (/ 5.95E-9, 5.95E-9/) ), ! Hexavalent Chromium\n & emis_table( 'Nickel ', 'NI ', 58.7, (/ 1.34E-8, 1.34E-8/) ), ! Nickle\n & emis_table( 'Arsenic ', 'AS ', 74.92,(/ 4.93E-8, 4.93E-8/) ), ! Arsenic\n & emis_table( 'Beryllium ', 'BE ', 9.0, (/ 5.2E-11, 5.2E-11/) ), ! Beryllium\n & emis_table( 'Mercury ', 'PHG ', 200.5, (/ 5.8E-11, 5.8E-11/) ), ! Mercury\n & emis_table( 'Lead ', 'PB ', 207.2, (/ 6.0E-11, 6.0E-11/) ), ! Lead\n & emis_table( 'Cadmium ', 'CD ', 112.4, (/ 1.93E-9, 1.93E-9/) ), ! cadmium\n & emis_table( 'Air Toxics Mn ', 'MN_HAPS', 54.9, (/ 4.7E-11, 4.7E-11/) ), ! Air toxics Manganese\n & emis_table( 'Bromine ', 'BR ', 79.9, (/ 0.00190, 0.00190/) ), ! Bromine \n & emis_table( 'Water ', 'H2O ', 18.0, (/ 0.0 , 0.0 /) ) /) ! Water (uptake is calculated online)\n \n ! MAKE SURE WATER IS THE LAST COMPONENT IN THE TABLE ABOVE OR YOU\n ! WILL ENCOUNTER ISSUES WITH THE SEA SPRAY EMISSIONS MODULE.\n\n ! Manually Enter the mode-dependent density of the Sea Spray Particles using the mass fractions in \n ! the sea_spc table and user-defined densities for each component. You may reference the aerolist \n ! for densities as well. Units are [kg m-3]. The appropriate calculation is:\n ! seaspray_dens = sum( frac_i ) / sum( frac_i / dens_i )\n ! Make sure to ignore any tracer species when performing this calculation.\n Real, Parameter :: seaspray_dens( n_mode ) = (/ 2162.7, 2162.7, 2162.7 /)\n Real, Parameter :: specific_vol_h2o = 0.001 !Inverse Density of Particulate Water\n \nC Constants used for simulating the ionic effects of sea-spray,\nC windblown dust and anthropogenic dust in the coarse mode. These cation\nC species are not transported individually in the domain but their\nC relative abundance is assumed to be constant and scaled to the total\nC SeaSalt_Cation, ASOIL, or Coarse-Mode Dust present.\n\n Real( 8 ), Parameter :: asoil_renorm = 1.0D0 - 0.04642D0 ! = 0.95358, same as ASOIL speciation factor in the dust_spc table above\n\n Real( 8 ), Parameter :: ascat_na_fac = 0.8373D0 ! for NA in coarse sea-spray aerosol\n Real( 8 ), Parameter :: asoil_na_fac = 0.0626D0 ! for NA in windblown dust\n Real( 8 ), Parameter :: acors_na_fac = 0.0023D0 ! for NA in anthropogenic coarse\n\n Real( 8 ), Parameter :: ascat_mg_fac = 0.0997D0 ! for MG in coarse sea-spray aerosol\n Real( 8 ), Parameter :: asoil_mg_fac = 0.0170D0 ! for MG in windblown dust\n Real( 8 ), Parameter :: acors_mg_fac = 0.0032D0 ! for MG in anthropogenic coarse\n\n Real( 8 ), Parameter :: ascat_k_fac = 0.0310D0 ! for K in coarse sea-spray aerosol\n Real( 8 ), Parameter :: asoil_k_fac = 0.0242D0 ! for K in windblown dust\n Real( 8 ), Parameter :: acors_k_fac = 0.0176D0 ! for K in anthropogenic coarse\n\n Real( 8 ), Parameter :: ascat_ca_fac = 0.0320D0 ! for CA in coarse sea spray aerosol\n Real( 8 ), Parameter :: asoil_ca_fac = 0.0838D0 ! for CA in windblown dust\n Real( 8 ), Parameter :: acors_ca_fac = 0.0562D0 ! for CA in anthropogenic coarse\n\n\n Real( 8 ), Parameter :: asoil_fe_fac = 0.02695D0 ! for FE in windblown dust\n Real( 8 ), Parameter :: acors_fe_fac = 0.0467D0 ! for FE in anthropogenic coarse\n\n Real( 8 ), Parameter :: asoil_mn_fac = 0.00075D0 ! for MN in windblown dust\n Real( 8 ), Parameter :: acors_mn_fac = 0.0011D0 ! for MN in anthropogenic coarse\n \nC Coarse mode PMC speciation based on anthropogenic inventory composite from various\nC sources (G. Pouliot - private communication):\n\n Real( 8 ), Parameter :: acorsem_aso4_fac = 0.00100D0\n Real( 8 ), Parameter :: acorsem_ano3_fac = 0.00048D0\n Real( 8 ), Parameter :: acorsem_acl_fac = 0.00145D0\n Real( 8 ), Parameter :: acorsem_ah2o_fac = 0.00032D0\n Real( 8 ), Parameter :: acorsem_renorm = 1.0D0\n & - acorsem_aso4_fac\n & - acorsem_ano3_fac\n & - acorsem_acl_fac\n & - acorsem_ah2o_fac\n \nC Required species\n Character( 16 ), Private, Parameter :: req_so4 = 'ASO4'\n Character( 16 ), Private, Parameter :: req_no3 = 'ANO3'\n Character( 16 ), Private, Parameter :: req_cl = 'ACL'\n Character( 16 ), Private, Parameter :: req_nh4 = 'ANH4'\n Character( 16 ), Private, Parameter :: req_na = 'ANA'\n Character( 16 ), Private, Parameter :: req_mg = 'AMG'\n Character( 16 ), Private, Parameter :: req_k = 'AK'\n Character( 16 ), Private, Parameter :: req_ca = 'ACA'\n Character( 16 ), Private, Parameter :: req_fe = 'AFE'\n Character( 16 ), Private, Parameter :: req_mn = 'AMN'\n Character( 16 ), Private, Parameter :: req_poc = 'APOC'\n Character( 16 ), Private, Parameter :: req_ncom = 'APNCOM'\n Character( 16 ), Private, Parameter :: req_h2o = 'AH2O'\n Character( 16 ), Private, Parameter :: req_h3op = 'AH3OP'\n Character( 16 ), Private, Parameter :: req_soil = 'ASOIL'\n Character( 16 ), Private, Parameter :: req_cors = 'ACORS'\n Character( 16 ), Private, Parameter :: req_seacat = 'ASEACAT'\n\nC Indices of required species\n Integer :: aso4_idx\n Integer :: ano3_idx\n Integer :: acl_idx\n Integer :: anh4_idx\n Integer :: ana_idx\n Integer :: amg_idx\n Integer :: ak_idx\n Integer :: aca_idx\n Integer :: afe_idx\n Integer :: amn_idx\n Integer :: apoc_idx\n Integer :: apncom_idx\n Integer :: ah2o_idx\n Integer :: ah3op_idx\n Integer :: asoil_idx\n Integer :: acors_idx\n Integer :: aseacat_idx\n\nC Flag if optional species present\n Logical :: ae6isoa = .False.\n Logical :: ae6hg = .False.\n Logical :: ae7orgh2o = .False.\n Logical :: marine = .False.\n\nC Optional Species\n Character( 16 ), Private, Parameter :: req_ietet = 'AIETET'\n Character( 16 ), Private, Parameter :: req_ieos = 'AIEOS'\n Character( 16 ), Private, Parameter :: req_dim = 'ADIM'\n Character( 16 ), Private, Parameter :: req_imga = 'AIMGA'\n Character( 16 ), Private, Parameter :: req_imos = 'AIMOS'\n Character( 16 ), Private, Parameter :: req_phgj = 'APHGJ'\n Character( 16 ), Private, Parameter :: req_orgh2o = 'AORGH2O'\n Character( 16 ), Private, Parameter :: req_br = 'ABR' \n Character( 16 ), Private, Parameter :: req_so4aqh2o2 = 'ASO4AQH2O2'\n Character( 16 ), Private, Parameter :: req_so4aqo3 = 'ASO4AQO3'\n Character( 16 ), Private, Parameter :: req_so4aqfemn = 'ASO4AQFEMN'\n Character( 16 ), Private, Parameter :: req_so4aqmhp = 'ASO4AQMHP'\n Character( 16 ), Private, Parameter :: req_so4aqpaa = 'ASO4AQPAA'\n Character( 16 ), Private, Parameter :: req_so4gas = 'ASO4GAS'\n Character( 16 ), Private, Parameter :: req_so4emis = 'ASO4EMIS'\n Character( 16 ), Private, Parameter :: req_so4icbc = 'ASO4ICBC'\n Character( 16 ), Private, Parameter :: req_oso4 = 'OSO4'\n Character( 16 ), Private, Parameter :: req_oso4aqh2o2 = 'OSO4AQH2O2'\n Character( 16 ), Private, Parameter :: req_oso4aqo3 = 'OSO4AQO3'\n Character( 16 ), Private, Parameter :: req_oso4aqfemn = 'OSO4AQFEMN'\n Character( 16 ), Private, Parameter :: req_oso4aqmhp = 'OSO4AQMHP'\n Character( 16 ), Private, Parameter :: req_oso4aqpaa = 'OSO4AQPAA'\n Character( 16 ), Private, Parameter :: req_oso4gas = 'OSO4GAS'\n Character( 16 ), Private, Parameter :: req_oso4emis = 'OSO4EMIS'\n Character( 16 ), Private, Parameter :: req_oso4icbc = 'OSO4ICBC'\n\nC Indices of Optional species\n Integer :: aietet_idx = 0\n Integer :: aieos_idx = 0\n Integer :: adim_idx = 0\n Integer :: aimga_idx = 0\n Integer :: aimos_idx = 0\n Integer :: aphgj_idx = 0\n Integer :: aorgh2o_idx= 0\n Integer :: abr_idx = 0\nC Indices of Optional sulfur tracking species\n Integer :: aso4aqh2o2_idx = 0\n Integer :: aso4aqo3_idx = 0\n Integer :: aso4aqfemn_idx = 0\n Integer :: aso4aqmhp_idx = 0\n Integer :: aso4aqpaa_idx = 0\n Integer :: aso4gas_idx = 0\n Integer :: aso4emis_idx = 0\n Integer :: aso4icbc_idx = 0\n Integer :: oso4_idx = 0\n Integer :: oso4aqh2o2_idx = 0\n Integer :: oso4aqo3_idx = 0\n Integer :: oso4aqfemn_idx = 0\n Integer :: oso4aqmhp_idx = 0\n Integer :: oso4aqpaa_idx = 0\n Integer :: oso4gas_idx = 0\n Integer :: oso4emis_idx = 0\n Integer :: oso4icbc_idx = 0\n\nC Common Arrays for Aerosol Data\n Real, Allocatable :: aerospc_mw( : ) ! molecular weights (from AE_SPC Namelist) [ g/mol ]\n Real, Allocatable :: aerospc_mwinv( : ) ! reciprocal MWs (from AE_SPC Namelist) [ mol/g ]\n Real, Allocatable :: aerospc_conc( :,: ) ! aero species concentration [ ug/m^3 ]\n\nC Common factors\n Real( 8 ) :: h2ofac ! converts mass concentrations [ug/m3] to 3rd moment concentrations [m3/m3]\n\nC Variables for converting emission rates into molar-mixing-ratio units\n REAL, PARAMETER :: GPKG = 1.0E+03 ! kg -> g\n REAL, PARAMETER :: MGPG = 1.0E+06 ! g -> ug\n\nC-------------------------------------------------------------------------------------------------------\n Type mode_type\n Character( 3 ) :: suff ! Suffix\n Character( 16 ) :: num_name ! name of aerosol number variable\n Character( 16 ) :: srf_name ! name of aerosol surface area variable\n Logical :: ultrafine_mask ! is this mode ultrafine PM?\n Logical :: fine_mask ! is this mode fine PM?\n Logical :: coarse_mask ! is this mode coarse PM?\n Logical :: accum_mask ! is this accumulation-mode PM?\n Logical :: aitken_mask ! is this aitken-mode PM?\n Logical :: nuc_mask ! is this nucleation-mode PM?\n Real :: min_numconc ! minimum number concentration\n Real :: min_m2conc ! minimum 2nd moment concentration\n Real :: min_m3conc ! minimum 3rd moment concentration\n End Type mode_type\n\n Type ( mode_type ), Parameter :: aeromode( n_mode ) = (/\nC suffix number surface Masks minimum minimum minimum\nC name name U F C AC AI NU numconc m2conc m3conc\nC ------- ---------- ------- - - - -- -- -- -------- ------- ------\n & mode_type('AIT' ,'NUMATKN', 'SRFATKN', T, T, F, F, T, F, conmin, conmin, conmin),\n & mode_type('ACC' ,'NUMACC ', 'SRFACC ', F, T, F, T, F, F, conmin, conmin, conmin),\n & mode_type('COR' ,'NUMCOR ', 'SRFCOR ', F, F, T, F, F, F, conmin, conmin, conmin)/)\n\n\n Real :: moment0_conc( n_mode ) ! 0th moment concentration\n Real :: moment2_conc( n_mode ) ! 2nd moment concentration\n Real :: moment3_conc( n_mode ) ! 3rd moment concentration\n Logical, save :: wet_moments_flag ! T if M2 and M3 are wet, F otherwise\n\nC Mass concentration (calculated by GETPAR)\n Real :: aeromode_mass( n_mode ) ! [ ug/m^3 ]\n\nC Particle density (calculated by GETPAR)\n Real :: aeromode_dens( n_mode ) ! [ kg/m^3 ]\n\nC Geometric mean diameter (calculated by GETPAR) for the NUMBER\nC distribution. Remember that for log-normal distributions the geometric\nC mean and the median are identical!\n Real :: aeromode_diam( n_mode ) ! [ m ]\n\nC Log of geometric standard deviation (calculated by GETPAR ) for the\nC NUMBER distribution.\n Real :: aeromode_lnsg( n_mode )\n\nC Minimum number (calculated in map_aero routine)\n Real :: aeromode_minNum( n_mode )\n\nC Minimum 2nd moment (calculated in map_aero routine)\n Real :: aeromode_minM2( n_mode )\n\nC Mapping for loading from and unloading to CGRID array\n Integer, Allocatable :: aerospc_map( :,: ) ! indices of aero species to CGRID\n Integer :: aeronum_map( n_mode ) ! indices of aero number variable to CGRID\n Integer :: aerosrf_map( n_mode ) ! indices of aero surf area variable to CGRID\n\n! Diagnostic Aerosol Distribution Parameters \n Real :: wet_aero_diam( n_mode )\n Real :: dry_aero_diam( n_mode )\n Real :: wet_aero_m2 ( n_mode )\n Real :: dry_aero_m2 ( n_mode )\n Real :: wet_aero_m3 ( n_mode )\n Real :: dry_aero_m3 ( n_mode )\n Real :: wet_aero_dens( n_mode )\n Real :: dry_aero_dens( n_mode )\n\nC Missing aerosol species map\n Logical, Allocatable :: aero_missing( :,: ) \n Logical, Save :: AE_eflag = .False. ! error flag for AERO_DATA\n\nC IC/BC Correction Mapping\n !The following vectors store masks of the aerosol species\n !identities for the AE_SPC and AE_TRNS vectors. For example, \n !L_AESP_NUM stores 1's for every species on AE_SPC that\n !represents an aerosol number concentration and 0's otherwise.\n ! L_AESP_NUM - Number Concentration\n ! L_AESP_SURF - Surface Area Concentration\n ! L_AESP_MASS - Mass Concentration\n ! L_AESP_MODE - Mask for each aerosol mode\n LOGICAL, ALLOCATABLE, SAVE :: L_AESP_NUM(:), L_AESP_SRF(:), L_AESP_MASS(:),\n & L_AESP_MODE(:,:), L_AESP_DRY(:)\n LOGICAL, ALLOCATABLE, SAVE :: L_AETR_NUM(:), L_AETR_SRF(:), L_AETR_MASS(:),\n & L_AETR_MODE(:,:), L_AETR_DRY(:)\n REAL, ALLOCATABLE, SAVE :: AEROCGRID_RHOINV( : ) !\n \nC Private variables for loading from and unloading to CGRID array\n Logical, Private, Save :: mapped = .False.\n Character( 16 ), Private, Save :: pname = 'Aero_Data'\n\n! Variables for collecting tendencies for aerosol sub-processes and\n! passing back to modules like Process analysis and ISAM. These vectors\n! should be sized to the same length as the CGRID species dimension and\n! be mapped to CGRID species order. Units for each are total\n! concentration or mixing ratio gained or lost. These are not normalized\n! by the time step. Ex (ppmv, ug m-3, N m-3, or m2 m-3)\n REAL, ALLOCATABLE, SAVE :: COND_BUDGET( : )\n REAL, ALLOCATABLE, SAVE :: COAG_BUDGET( :,: )\n REAL, ALLOCATABLE, SAVE :: NPF_BUDGET( : )\n REAL, ALLOCATABLE, SAVE :: GROWTH_BUDGET( : )\n\n! Initial Reference Values for M2 and M3 used for Heterogenous Chemistry\n! Module.\n REAL( 8 ), ALLOCATABLE, SAVE :: CHEM_M2DRY_INIT( :,:,:,: ),\n & CHEM_M3DRY_INIT( :,:,:,: )\n\n Contains\n\n\nC-----------------------------------------------------------------------\n Subroutine map_aero()\n\nC Defines aerosol mapping from CGRID for species concentration and moments.\n \nC Revision History:\nC First version was coded in April 2010 by Steve Howard with\nC Prakash Bhave, Jeff Young, and Sergey Napelenok.\n\nC HS 01/24/11 Renamed AORGPA as POC for AERO6\nC GS 03/02/11 Find new req`d species for AERO6 (Mg, K, Ca)\nC HS 03/10/11 Get index for new required species, PNCOM\nC JY 03/22/16 Get index for new required species: Fe, Mn (aqchem)\nC HOTP 05/11/16 Add IEPOX derived species\nC-----------------------------------------------------------------------\n\n Use rxns_data ! chemical mechanism data\n Use cgrid_spcs ! CGRID mechanism species\n Use aeromet_data\n Use vdiff_data, only : n_spc_diff, diff_spc\n Implicit None\n\nC Local Variables:\n Character( 256 ) :: xmsg\n Character( 256 ) :: xmsg2\n Real :: mole_weight( n_aerolist )\n Integer :: map_listtogrid( n_aerolist,n_mode )\n Integer :: map_aerotolist( n_aerolist )\n\n Integer, Allocatable :: aerospc_in_dustlist( : )\n Character(16), Allocatable :: refractive_index( : )\n\n Integer l, m, n, spc, isea, idust, p\n Real so4fac\n Real anthfac\n\n Real POA_OC ! ratio of Elemental Oxygen to Carbon in POA\n Real OOA_OC ! ratio of Elemental Oxygen to Carbon in Oxygenated OA\n\n Integer dust_org1, dust_org2\n Logical ae6isoa\n Logical ae6hg\n Logical dust_match\n Logical new_bulk_species\n Logical replace_optics_surr\n\n Character(16) sn\n\n If ( mapped ) Return\n\n Call LOG_SUBHEADING( LOGDEV, \"Map Aerosol Species\" )\n\n mole_weight = 0.0\n\n n_aerospc = 0 ! Number of Used Aerosol Chemical Species\n map_listtogrid = 0 ! Pointer from aerolist to CGRID\n map_aerotolist = 0 ! Pointer from aerospc to aerolist\n AE_eflag = .False.\n max_l2sg = ( LOG( max_sigma_g ) ) ** 2\n min_l2sg = ( LOG( min_sigma_g ) ) ** 2\n def_l2sg( : ) = ( LOG( def_sigma_g( : ) ) ) ** 2\n \n\n allocate( aerocgrid_rhoinv( n_ae_trns ),\n & l_aesp_num( n_ae_spc ),\n & l_aesp_srf( n_ae_spc ), l_aesp_mass( n_ae_spc ),\n & l_aesp_mode( n_mode,n_ae_spc ), l_aesp_dry( n_ae_spc ),\n & l_aetr_num( n_ae_trns ),\n & l_aetr_srf( n_ae_trns ), l_aetr_mass( n_ae_trns ),\n & l_aetr_mode( n_mode,n_ae_trns ), l_aetr_dry( n_ae_trns ) )\n\n Allocate( refractive_index( n_aerolist ) )\n refractive_index( : ) = aerolist( : )%optic_surr\n\n aerocgrid_rhoinv = 0.\n l_aesp_num = .False.\n l_aesp_srf = .False.\n l_aesp_mass= .False.\n l_aesp_mode= .False.\n l_aesp_dry = .False.\n l_aetr_num = .False.\n l_aetr_srf = .False.\n l_aetr_mass= .False.\n l_aetr_mode= .False.\n l_aetr_dry = .False.\n\nC Build mapping to CGRID for each species in the master AeroList\n Do spc = 1, n_aerolist\n ! Check to see if this species is in the namelist\n replace_optics_surr = .False.\n do m = 1,n_mode\n if ( m .eq. n_mode .and. \n & (aerolist( spc )%bulkname .eq. 'ACORS' .or.\n & aerolist( spc )%bulkname .eq. 'ASOIL' .or.\n & aerolist( spc )%bulkname .eq. 'ASEACAT' .or.\n & aerolist( spc )%bulkname .eq. 'ADE_CORS' ) ) then\n sn = aerolist( spc )%bulkname\n else\n sn = trim( aerolist( spc )%bulkname ) // modesuff( m )\n end if\n\n n = index1( sn, n_ae_spc, ae_spc )\n p = index1( sn, n_ae_trns, ae_trns )\n\n If ( n .Ne. 0 ) Then\n If( Len_Trim( ae_optics( n ) ) .gt. 0 )Then\n replace_optics_surr = .True.\n End If \n ! Species is on the NameList\n new_bulk_species = ( .Not. Any( map_listtogrid( spc,: ) .NE. 0 ) )\n If ( new_bulk_species ) Then\n ! Add this species to the map if it does not exist already\n n_aerospc = n_aerospc + 1\n map_aerotolist( n_aerospc ) = spc\n ! Set the Molecular Weight\n mole_weight( spc ) = ae_molwt( n )\n If( replace_optics_surr )refractive_index( spc ) = ae_optics( n ) \n Else If ( mole_weight( spc ) .Ne. ae_molwt( n ) ) Then\n ! If the species already exists and the\n ! molecular weight from this mode on the\n ! namelist is not matching the standing\n ! molecular weight, throw an error\n xmsg = 'The molecular weight of ' // Trim( sn )\n & // ' is different from that of the same species'\n & // ' in the same or another mode.'\n Call m3warn( pname, 0, 0, xmsg )\n Write( xmsg,* ) 'New Value(', n, ') = ', ae_molwt( n ),\n & 'Expected value(', spc, ')= ', mole_weight( spc )\n Call m3warn( pname, 0, 0, xmsg )\n AE_eflag = .True.\n Else If ( replace_optics_surr ) Then \n If ( refractive_index( spc ) .Ne. ae_optics( n ) ) Then\n ! If the species already exists and the\n ! namelist's refractive index for the mode\n ! does not match the new value,\n ! write message and set error flag\n xmsg = 'FATAL ERROR: In AErosol namelist, OPTICS value ' \n & // 'for bulk ' // Trim( aerolist( spc )%bulkname )\n & // ' is inconsistent across modes. CORRECT the AE namelist'\n Call m3mesg( xmsg )\n If( Len_Trim( ae_optics( n ) ) .lt. 1 ) Then\n xmsg2 = 'blank'\n Else\n xmsg2 = Trim( ae_optics( n ) )\n End If\n Write( xmsg,* ) 'Bad Value is ', Trim( xmsg2 ),\n & '; Expected value is ', Trim( refractive_index( spc ) )\n Call m3mesg( xmsg )\n AE_eflag = .True.\n End If \n End If\n ! Update the map from CGRID to AeroList for this mode\n map_listtogrid( spc,m ) = ae_strt - 1 + n\n l_aesp_mode( m,n ) = .True.\n l_aetr_mode( m,p ) = .True.\n If ( .Not. aerolist( spc)%tracer ) then\n l_aesp_mass( n ) = .True.\n if ( p .gt. 0 ) l_aetr_mass( p ) = .True.\n End If\n If ( .Not. aerolist( spc)%no_m2wet ) then\n l_aesp_dry( n ) = .True.\n if ( p .gt. 0 ) l_aetr_dry( p ) = .True.\n End If\n !Map the CGRID Aerosol Species to their Densities\n aerocgrid_rhoinv( n ) = 1.0 / aerolist( spc )%density\n\n End If\n End Do\n End Do\n Write(logdev,*)' '\n\n ! Migrate all of the user-requested aerosols from AeroList to\n ! AeroSpc. Begin by allocating all of the new arrays now that we\n ! know the value of n_aerospc\n Allocate ( aerospc ( n_aerospc ) )\n Allocate ( aerospc_mw ( n_aerospc ) )\n Allocate ( aerospc_mwinv ( n_aerospc ) )\n Allocate ( aerospc_map ( n_aerospc, n_mode ) )\n Allocate ( aerospc_conc ( n_aerospc, n_mode ) )\n Allocate ( aero_missing ( n_aerospc, n_mode ) )\n\n#ifdef sens\n Allocate ( s_aerospc_conc( n_aerospc,n_mode,npmax ) )\n#endif\n\n aero_missing( :,: ) = .True.\n aerospc_conc( :,: ) = conmin\n\n Do spc = 1, n_aerospc ! Loop through user-requested chemical species\n l = map_aerotolist( spc )\n\n ! Map AeroList Contents to AeroSpc\n aerospc( spc )%bulkname = aerolist( l )%bulkname \n aerospc( spc )%lait = aerolist( l )%lait\n aerospc( spc )%lacc = aerolist( l )%lacc\n aerospc( spc )%lcor = aerolist( l )%lcor\n aerospc( spc )%min_conc = aerolist( l )%min_conc\n aerospc( spc )%density = aerolist( l )%density \n aerospc( spc )%gasname = aerolist( l )%gasname \n aerospc( spc )%ctrname = aerolist( l )%ctrname \n aerospc( spc )%ctr_yield = aerolist( l )%ctr_yield\n aerospc( spc )%voltype = aerolist( l )%voltype\n aerospc( spc )%no_M2wet = aerolist( l )%no_M2Wet \n aerospc( spc )%tracer = aerolist( l )%tracer \n aerospc( spc )%charge = aerolist( l )%charge \n aerospc( spc )%visual_idx = aerolist( l )%visual_idx \n aerospc( spc )%visual_idx_large = aerolist( l )%visual_idx_large\n aerospc( spc )%om = aerolist( l )%om\n aerospc( spc )%optic_surr = refractive_index( l ) \n aerospc( spc )%kappaorg = aerolist( l )%kappaorg\n aerospc( spc )%name( : ) = ''\n\n If ( aerospc( spc )%optic_surr .Ne. aerolist( l )%optic_surr ) Then\n xmsg = 'For aerosol species, ' // Trim( aerospc( spc )%bulkname )\n & // ', setting refactive index to '\n & // Trim( aerospc( spc )%optic_surr ) // ' instead of '\n & // Trim( aerolist( l )%optic_surr )\n write(logdev,'(a)')Trim( xmsg )\n End If \n\n ! Map mode-independent properties\n aerospc_mw( spc ) = mole_weight( l )\n aerospc_mwinv( spc ) = 1.0E0 / aerospc_mw( spc )\n\n Do n = 1,n_mode\n ! Map the Modal-Dependent CGRID Pointers from AeroSpc to AeroList\n aerospc_map( spc, n ) = map_listtogrid( l, n )\n\n ! Remove this Chemical/Mode Combination from the \"missing\" list \n ! if it can be mapped to the cgrid list of variables\n if ( aerospc_map( spc,n ) .ne. 0 ) then\n aero_missing( spc,n ) = .False.\n ! Create Mode-Dependent Names\n if ( aerospc( spc )%bulkname .eq. 'ACORS' .or.\n & aerospc( spc )%bulkname .eq. 'ASOIL' .or.\n & aerospc( spc )%bulkname .eq. 'ASEACAT' .or.\n & aerospc( spc )%bulkname .eq. 'ADE_CORS' ) then\n aerospc( spc )%name( n ) = trim( aerospc( spc )%bulkname )\n else\n aerospc( spc )%name( n ) = \n & trim( aerospc( spc )%bulkname ) // modesuff( n )\n end if\n end if\n End Do\n\n End Do\n Write(logdev,*)' '\n\nC Build mapping to CGRID for aero # and surf area variables\n aeronum_map = 0\n aerosrf_map = 0\n\n Do m = 1, n_mode\n n = index1( aeromode( m )%num_name , n_ae_spc, ae_spc )\n p = index1( aeromode( m )%num_name , n_ae_trns, ae_trns )\n If ( n .Eq. 0 ) Then\n xmsg = 'Species ' // Trim( aeromode( m )%num_name )\n & //' is not in AE namelist'\n AE_eflag = .True.\n Call m3warn( pname, 0, 0, xmsg )\n! Call m3exit( pname, 0, 0, xmsg, xstat3 )\n Else\n aeronum_map( m ) = ae_strt - 1 + n\n aerocgrid_rhoinv( n ) = 1.0\n l_aesp_num( n ) = .True.\n l_aesp_mode( m,n ) = .True.\n if ( p .gt. 0 ) then \n l_aetr_num( p ) = .True.\n l_aetr_mode( m,p ) = .True.\n end if\n End If\n\n n = index1( aeromode( m )%srf_name , n_ae_spc, ae_spc )\n p = index1( aeromode( m )%srf_name , n_ae_trns, ae_trns )\n If ( n .Eq. 0 ) Then\n xmsg = 'species ' // Trim( aeromode( m )%srf_name )\n & // ' is not in AE namelist'\n AE_eflag = .True.\n Call m3warn( pname, 0, 0, xmsg )\n! Call m3exit( pname, 0, 0, xmsg, xstat3 )\n Else\n aerosrf_map( m ) = ae_strt - 1 + n\n aerocgrid_rhoinv( n ) = 1.0\n l_aesp_srf( n ) = .True.\n l_aesp_mode( m,n ) = .True.\n if ( p .gt. 0 ) then \n l_aetr_srf( p ) = .True.\n l_aetr_mode( m,p ) = .True.\n end if\n End If\n End Do\n\nC Find indices of required species\n aso4_idx = findAero( req_so4, .True. )\n ano3_idx = findAero( req_no3, .True. )\n acl_idx = findAero( req_cl, .True. )\n anh4_idx = findAero( req_nh4, .True. )\n ana_idx = findAero( req_na, .True. )\n amg_idx = findAero( req_mg, .True. )\n ak_idx = findAero( req_k, .True. )\n aca_idx = findAero( req_ca, .True. )\n afe_idx = findAero( req_fe, .True. )\n amn_idx = findAero( req_mn, .True. )\n ah2o_idx = findAero( req_h2o, .True. )\n ah3op_idx = findAero( req_h3op, .True. )\n asoil_idx = findAero( req_soil, .True. )\n acors_idx = findAero( req_cors, .True. )\n aseacat_idx = findAero( req_seacat, .True. )\n apoc_idx = findAero( req_poc, .True. )\n apncom_idx = findAero( req_ncom, .True. )\n\n If ( ( Index( mechname, 'SAPRC07TIC_AE6I' ) .Gt. 0 ) .OR.\n & ( Index( mechname, 'SAPRC07TIC_AE7I' ) .Gt. 0 ) ) Then\n ae6isoa = .True.\n aietet_idx = findAero( req_ietet, ae6isoa )\n aieos_idx = findAero( req_ieos, ae6isoa )\n adim_idx = findAero( req_dim, ae6isoa )\n aimga_idx = findAero( req_imga, ae6isoa )\n aimos_idx = findAero( req_imos, ae6isoa )\n Else\n aietet_idx = 0\n aieos_idx = 0\n adim_idx = 0\n aimga_idx = 0\n aimos_idx = 0\n ae6isoa = .False.\n End If\n\n If ( Index( mechname, 'CB6R5M_AE7_AQ' ) .Gt. 0 ) Then \n abr_idx = findAero( req_br, .True. )\n marine = .True.\n Else\n abr_idx = 0\n marine = .False.\n End If\n\n aphgj_idx = findAero( req_phgj, .False. )\n If ( aphgj_idx .Gt. 0 ) Then\n ae6hg = .True.\n Else\n aphgj_idx = 0 \n ae6hg = .False.\n End If\n\nC AORGH2O is not required, but highly recommended for aero7\n aorgh2o_idx = findAero( req_orgh2o, .False. )\n If ( aorgh2o_idx .Gt. 0 ) Then\n ae7orgh2o = .True.\n Else\n aorgh2o_idx = 0\n ae7orgh2o = .False.\n End If\n\n If ( stm ) Then\n aso4aqh2o2_idx = findAero( req_so4aqh2o2, .True. )\n aso4aqo3_idx = findAero( req_so4aqo3, .True. )\n aso4aqfemn_idx = findAero( req_so4aqfemn, .True. )\n aso4aqmhp_idx = findAero( req_so4aqmhp, .True. )\n aso4aqpaa_idx = findAero( req_so4aqpaa, .True. )\n aso4gas_idx = findAero( req_so4gas, .True. )\n aso4emis_idx = findAero( req_so4emis, .True. )\n aso4icbc_idx = findAero( req_so4icbc, .True. )\n If ( ( ae6isoa ) .OR.\n & ( Index( mechname, 'CRACMM1_' ) .Gt. 0 ) .OR.\n & ( Index( mechname, 'CRACMM2' ) .Gt. 0 ) .OR.\n & ( Index( mechname, 'CRACMM1AMORE_' ) .Gt. 0 ) .OR.\n & ( Index( mechname, 'CB6R3_AE7' ) .Gt. 0 ) .OR.\n & ( Index( mechname, 'CB6R5_AE7' ) .Gt. 0 ) .OR.\n & ( Index( mechname, 'CB6R5M_AE7' ) .Gt. 0 ) ) Then\n oso4_idx = findAero( req_oso4, .True. )\n oso4aqh2o2_idx = findAero( req_oso4aqh2o2, .True. )\n oso4aqo3_idx = findAero( req_oso4aqo3, .True. )\n oso4aqfemn_idx = findAero( req_oso4aqfemn, .True. )\n oso4aqmhp_idx = findAero( req_oso4aqmhp, .True. )\n oso4aqpaa_idx = findAero( req_oso4aqpaa, .True. )\n oso4gas_idx = findAero( req_oso4gas, .True. )\n oso4emis_idx = findAero( req_oso4emis, .True. )\n oso4icbc_idx = findAero( req_oso4icbc, .True. )\n EndIf\n EndIf\n\nC Compute common factors\n h2ofac = 1.0D-9 * f6dpi / Real( aerospc( ah2o_idx )%density, 8 )\n\nC compute aeromode_minNum and aeromode_minM2\n so4fac = 1.0E-9 * Real( f6dpi, 4 ) / aerospc( aso4_idx )%density\n anthfac = 1.0E-9 * Real( f6dpi, 4 ) / aerospc( acors_idx )%density\n\n Do m = 1, n_mode\n If ( m .Lt. n_mode ) Then\n aeromode_minNum( m ) = aerospc( aso4_idx )%min_conc( m ) /\n & ( def_diam( m )**3 * Exp( 4.5 * Log( def_sigma_g( m ) )**2 ) )\n aeromode_minNum( m ) = aeromode_minNum( m ) * so4fac \n aeromode_minNum( m ) = Max( aeromode_minNum( m ), conmin )\n Else\n aeromode_minNum( m ) = aerospc( acors_idx )%min_conc( m ) /\n & ( def_diam( m )**3 * Exp( 4.5 * Log( def_sigma_g( m ) )**2 ) )\n aeromode_minNum( m ) = aeromode_minNum( m ) * anthfac \n aeromode_minNum( m ) = Max( aeromode_minNum( m ), conmin )\n End If\n aeromode_minM2( m ) = aeromode_minNum( m ) *\n & def_diam( m )**2 * Exp( 2.0 * Log( def_sigma_g( m ) )**2 )\n End do\n\n ! Substitute Gas and Rxn Counter Names for CGRID names\n Do spc = 1,n_aerospc\n If ( aerospc( spc )%gasname .ne. '' ) Then\n Do l = 1,n_gc_g2ae\n If ( aerospc( spc )%gasname .eq. gc_g2ae( l ) )\n & aerospc( spc )%gasname = gc_spc( gc_g2ae_map(l) ) \n End Do\n Do l = 1,n_nr_n2ae\n If ( aerospc( spc )%gasname .eq. nr_n2ae( l ) )\n & aerospc( spc )%gasname = nr_spc( nr_n2ae_map(l) ) \n End Do\n End If\n If ( aerospc( spc )%ctrname .ne. '' ) Then\n Do l = 1,n_gc_g2ae\n If ( aerospc( spc )%ctrname .eq. gc_g2ae( l ) )\n & aerospc( spc )%ctrname = gc_spc( gc_g2ae_map(l) ) \n End Do\n Do l = 1,n_nr_n2ae\n If ( aerospc( spc )%ctrname .eq. nr_n2ae( l ) )\n & aerospc( spc )%ctrname = nr_spc( nr_n2ae_map(l) ) \n End Do\n End If\n End Do\n\n ! Exit if Errors are Detected\n if( AE_eflag )Then\n Write(logdev,99901) Trim( mechname )\n xmsg = 'The FATAL errors found in namelist used. Check '\n & // 'the log of exiting processor if more details are needed.'\n Call m3exit( pname, 0, 0, xmsg, xstat3 )\n End If \n\n mapped = .True.\n\n\n99901 Format( 'FATAL Error(s) found in the AE namelist used. Check that' \n & /' this AE namelist contains the above required data '\n & / 'as the file in '\n & /'the respository version of the mechanism: ', a )\n Return\n End Subroutine map_aero\n\nC-----------------------------------------------------------------------\n#ifdef sens\n Subroutine extract_aero( conc, minchk, s_conc, schk )\n#else\n Subroutine extract_aero( conc, minchk )\n#endif\n\nC Extracts aerosol data into the AERO_DATA:aerospc_conc array\nC The original idea is that the data for conc comes from CGRID\nC Also transfers dry surface area to wet 2nd moment.\n\nC Revision History:\nC First version was coded in April 2010 by Steve Howard with\nC Prakash Bhave, Jeff Young, and Sergey Napelenok.\nC 4/2016: Updated for 2nd moment by H. Pye and B. Murphy\nC-----------------------------------------------------------------------\n\n Use aeromet_data, only : pi, f6pi ! fundamental constants, data type definitions, etc.\n\n Implicit None\n\nC Arguments:\n Real, Intent( In ) :: conc( : )\n Logical, Intent( In ) :: minchk\n#ifdef sens\n Real, Intent( In ) :: s_conc( :,: )\n Logical, Intent( In ) :: schk ! necessary because some routines don't require sensitivity updates\n#endif\n\nC Local Variables:\n Integer m, n, spc\n\n If ( .Not. mapped ) Then\n Call map_aero()\n End If\n\n#ifdef sens\n If ( schk ) Then\n If ( .Not. ae_ddm3d_ready ) Then\n Call init_aero_ddm3d()\n End If\n End If\n#endif\n\nC Copy grid cell concentrations of aero species to aerospc_conc\n aerospc_conc = 0.0\n#ifdef sens\n If ( schk ) Then\n s_aerospc_conc = 0.0D0\n End If\n#endif\n If ( minchk ) Then\n Do m = 1, n_mode\n Do spc = 1, n_aerospc\n n = aerospc_map( spc,m )\n If ( n .Ne. 0 ) Then\n aerospc_conc( spc,m ) = Max( conc( n ), aerospc( spc )%min_conc( m ) ) ! [ug/m^3]\n#ifdef sens\n If ( schk ) Then\n Do np = 1, npmax\n If ( aerospc_conc( spc,m ) .Eq. aerospc( spc )%min_conc( m ) ) Then\n s_aerospc_conc( spc,m,np ) = 0.0D0\n Else\n s_aerospc_conc( spc,m,np ) = Real( s_conc( np,n ), 8 )\n End If\n End Do\n End If\n#endif\n End If\n End Do\n End Do\n Else\n Do m = 1, n_mode\n Do spc = 1, n_aerospc\n n = aerospc_map( spc,m )\n If ( n .Ne. 0 ) Then\n aerospc_conc( spc,m ) = conc( n ) ! [ug/m^3]\n#ifdef sens\n If ( schk ) Then\n Do np = 1, npmax\n s_aerospc_conc( spc,m,np ) = Real( s_conc( np,n ), 8 )\n End Do\n End If\n#endif\n End If\n End Do\n End Do\n End If\n\n ! Calculate Dry Third Moment [ m3 / m3 ]\n Do m = 1, n_mode\n moment3_conc( m ) = sum( aerospc_conc(:,m) / aerospc(:)%density,\n & MASK= ( ( .NOT. aerospc%no_M2wet ) .AND.\n & ( .NOT. aerospc%Tracer ) ) )\n moment3_conc( m ) = max( moment3_conc( m ) * 1.0E-9 * f6pi,\n & aeromode( m )%min_m3conc )\n End Do\n\nC Copy grid cell concentrations of aero # and surf area\nC Convert surface area to M2 and set wet_moments_flag\n\n moment0_conc = 0.0\n moment2_conc = 0.0\n\n If ( minchk ) Then\n Do m = 1, n_mode\n n = aeronum_map( m )\n moment0_conc( m ) = Max( conc( n ), aeromode( m )%min_numconc )\n n = aerosrf_map( m )\n moment2_conc( m ) = Max( conc( n ) / pi, aeromode( m )%min_m2conc )\n End Do\n Else\n Do m = 1, n_mode\n n = aeronum_map( m )\n moment0_conc( m ) = conc( n )\n n = aerosrf_map( m )\n moment2_conc( m ) = conc( n ) / pi\n End Do\n End If\n wet_moments_flag = .false.\n\nC Convert dry 2,3 moment to wet 2,3 moment\nC flag will be set to .true.\n Call calcmoments( .true. )\n\n Return\n End Subroutine extract_aero\n\nC-----------------------------------------------------------------------\n#ifdef sens\n Subroutine update_aero( conc, minchk, s_conc )\n#else\n Subroutine update_aero( conc, minchk )\n#endif\n\nC Updates conc from the AERO_DATA:aerospc_conc array.\nC The original idea is that the data in conc updates CGRID\nC Update_aero now also saves the updated surface area back to CGRID as\nC well. Moment2 will be dried if necessary and flag reset.\n\nC Revision History:\nC First version was coded in April 2010 by Steve Howard with\nC Prakash Bhave, Jeff Young, and Sergey Napelenok.\nC 4/2016: Updated for 2nd moment by H. Pye and B. Murphy\nC-----------------------------------------------------------------------\n\n Use aeromet_data, only : pi ! fundamental constants, data type definitions, etc.\n\n Implicit None\n\nC Arguments:\n Real, Intent( Out ) :: conc( : )\n Logical, Intent( In ) :: minchk\n#ifdef sens \n Real, Intent( Out ) :: s_conc( :,: )\n#endif\n\nC Local variables:\n Character( 80 ) :: xmsg\n Integer m, n, spc\n\n If ( .Not. mapped ) Then\n xmsg = 'CGRID Species has not been mapped'\n Call m3exit( pname, 0, 0, xmsg, xstat3 )\n End If\n\nC Copy aerospc_conc back to grid cell concentrations\n\n If ( minchk ) Then\n Do m = 1, n_mode\n Do spc = 1, n_aerospc\n n = aerospc_map( spc,m )\n If ( n .Ne. 0 ) Then\n conc( n ) = Max( aerospc_conc( spc,m ), aerospc( spc )%min_conc( m ) )\n#ifdef sens\n Do np = 1, npmax\n If ( conc( n ) .Eq. aerospc( spc )%min_conc( m ) ) Then\n s_conc( np,n ) = 0.0\n Else\n s_conc( np,n ) = Real( s_aerospc_conc( spc,m,np ), 4 )\n End If\n End Do\n#endif\n End If\n End Do\n End Do\n Else\n Do m = 1, n_mode\n Do spc = 1, n_aerospc\n n = aerospc_map( spc,m )\n If ( n .Ne. 0 ) Then\n conc( n ) = aerospc_conc( spc,m )\n#ifdef sens\n Do np = 1, npmax\n s_conc( np,n ) = Real( s_aerospc_conc( spc,m,np ), 4 )\n End Do\n#endif\n End If\n End Do\n End Do\n End If\n\nC Copy aero number and surface area back to grid cell concentrations\n\n If ( minchk ) Then\n Do m = 1, n_mode\n n = aeronum_map( m )\n conc( n ) = Max( moment0_conc( m ), aeromode( m )%min_numconc )\n End Do\n Else\n Do m = 1, n_mode\n n = aeronum_map( m )\n conc( n ) = moment0_conc( m )\n End Do\n End If\n\nC Save dry second moment to surface area (with pi conversion)\n If ( wet_moments_flag ) Then\n Call calcmoments( .False. ) ! called with the F flag, returns dry moments\n End If\n\n Do m = 1, n_mode\n n = aerosrf_map( m )\n conc( n ) = Real( pi, 4 ) * moment2_conc( m )\n End Do\n\n Return\n End Subroutine update_aero\n\nC-----------------------------------------------------------------------\n Function findAero( vname, required ) Result ( idx )\n\nC Finds the index of 'required' aerosol species in the aerospc list\n\nC Revision History:\nC First version was coded in April 2010 by Steve Howard with\nC Prakash Bhave, Jeff Young, and Sergey Napelenok.\nC-----------------------------------------------------------------------\n\n Implicit None\n\nC Arguments:\n Character( 16 ) :: vname\n Logical :: required\n Integer :: idx\n\nC Local Variables:\n Character( 80 ) :: xmsg\n Integer spc, n\n\n idx = 0\nC Find the substring vname in aerospc( spc )%name( n )\n Do spc = 1, n_aerospc\n If ( aerospc( spc )%bulkname .eq. vname ) Then\n idx = spc\n Return\n End If\n Do n = 1, n_mode\n If ( aerospc( spc )%name( n ) .eq. vname ) Then\n idx = spc\n Return\n End If\n End Do\n End Do\n\n If ( .Not. required ) Then\n xmsg = 'Optional Species '\n & // Trim( vname ) // ' Not found in AE namelist.'\n write(logdev,'(5x,a)') xmsg\n Return\n End If\n\n xmsg = 'Required Species ' // Trim( vname ) // \n & ' Not found in AE namelist'\n AE_eflag = .True.\n Call m3warn( pname, 0, 0, xmsg )\n\n Return\n End Function findAero\n\nC-----------------------------------------------------------------------\n Subroutine calcmoments( addwet )\n\nC Subroutine calculates wet (addwet=T) or dry (addwet=F) aerosol third\nC and second moment and stores them in moment_conc arrays and\nC updates wet_moments_flag.\nC Note that third moment information will be overwritten no matter what\nC the wet_moments_flag indicates. M2 will depend on the history\nC of the moment (wet_moments_flag). This routine will not update\nC M2 in the event of added mass due to processes other than\nC wetting/drying.\nC\nC Notes:\nC wet_moments_flag is obtained from AERO_DATA ! true = H2O and SOA included in 2,3 moment\nC ! false = H2O and SOA excluded from 2,3 moment\nC wet_moments_flag reflects the current state of the moment2,3_conc arrays.\nC addwet will results in wet (T) or dry (F) moments.\nC\nC History:\nC 4/2016: HOT Pye Created routine\nC\nC-----------------------------------------------------------------------\n\n Use aeromet_data, only: f6dpi, f6pi\n\n Implicit None\n\nC Arguments:\n Logical :: addwet ! T: result in wet m3 and m2, F: result in dry m3 and m2\n\nC Parameters:\n Real( 8 ), Parameter :: two3rds = 2.0D0 / 3.0D0\n\nC Local variables:\n Integer :: spc, n ! loop variable\n Real( 4 ) :: m3( n_mode ) ! wet or dry M3\n Real( 4 ) :: m2( n_mode ) ! wet or dry M2\n Real( 8 ) :: drysumM3 ! dry M3 [ m**3 / m**3 ]\n Real( 8 ) :: wetsumM3 ! wet M3 [ m**3 / m**3 ]\n Real( 8 ) :: factor\n Real( 4 ) :: initialM3 ! initial M3 from moment3_conc [ m**3 /m**3 ]\n Real( 4 ) :: initialM2 ! initial M2 from moment2_conc [ m**2 /m**3 ]\n\n Character( 16 ) :: pname_loc = 'CalcMoments'\n Character( 100 ) :: xmsg\n\nC *** Calculate aerosol 3rd moment concentrations [ m**3 / m**3 ], 2nd\nC moment [ m**2/m**3 ]\n\n If( addwet ) then\n\n Do n = 1, n_mode\n initialM2 = moment2_conc( n )\n If ( initialM2 .Eq. 0.0 ) Then\n write( xmsg,'(A32,I1,A42)') \"Warning: Second Moment for Mode \",\n & n,\" is 0.0. This will cause numerical issues.\"\n Call m3warn( pname_loc, 0, 0, xmsg )\n End If\n\n initialM3 = max( moment3_conc( n ), aeromode( n )%min_m3conc )\n If ( initialM3 .Eq. 0.0 ) Then\n write( xmsg,'(A31,I1,A42)') \"Warning: Third Moment for Mode \",\n & n,\" is 0.0. This will cause numerical issues.\"\n call m3warn( pname_loc, 0, 0, xmsg )\n End If\n\n wetsumM3 = 0.0d0\n Do spc = 1, n_aerospc\n If ( aerospc( spc )%tracer .Or. aero_missing(spc,n) ) Cycle\n factor = Real( 1.0E-9 * f6pi / aerospc( spc )%density, 8 )\n wetsumM3 = wetsumM3 + factor * Real( aerospc_conc( spc,n ), 8 )\n End Do\n m3( n ) = Max ( Real( wetsumM3, 4 ), aeromode( n )%min_m3conc )\n If ( wet_moments_flag ) Then\n m2( n ) = initialM2\n Else\n m2( n ) = initialM2 * ( Real( wetsumM3, 4 ) / initialM3 ) ** Real( two3rds, 4 )\n End if\n End Do\n\n ! Save back to aero_data variables\n moment2_conc( : ) = m2( : )\n moment3_conc( : ) = m3( : )\n wet_moments_flag = .True.\n\n Else ! produce dry moments\n\n Do n = 1, n_mode\n initialM2 = moment2_conc( n )\n If ( initialM2 .Eq. 0.0 ) Then\n write( xmsg,'(A32,I1,A42)') \"Warning: Second Moment for Mode \",\n & n,\" is 0.0. This will cause numerical issues.\"\n Call m3warn( pname_loc, 0, 0, xmsg )\n End If\n\n initialM3 = max( moment3_conc( n ), aeromode( n )%min_m3conc )\n If ( initialM3 .Eq. 0.0 ) Then\n write( xmsg,'(A31,I1,A42)') \"Warning: Third Moment for Mode \",\n & n,\" is 0.0. This will cause numerical issues.\"\n Call m3warn( pname_loc, 0, 0, xmsg )\n End If\n\n drysumM3 = 0.0d0\n Do spc = 1, n_aerospc\n If ( aerospc( spc )%tracer .Or. aero_missing(spc,n) .Or.\n & aerospc( spc )%no_M2Wet ) Cycle\n factor = Real( 1.0E-9 * f6pi / aerospc( spc )%density, 8 )\n drysumM3 = drysumM3 + factor * Real( aerospc_conc( spc,n ), 8 )\n End Do\n m3( n ) = Max ( Real( drysumM3, 4 ), aeromode( n )%min_m3conc )\n If ( wet_moments_flag) Then\n m2( n ) = initialM2 * ( Real( drysumM3, 4 ) / initialM3 ) ** Real( two3rds, 4 )\n Else ! already dry\n m2( n ) = initialM2\n End If\n End Do\n\n ! Save back to aero_data variables\n moment2_conc( : ) = m2( : )\n moment3_conc( : ) = m3( : )\n wet_moments_flag = .False.\n\n End If\n\n Return\n End Subroutine calcmoments\n\nC\nC-----------------------------------------------------------------------\n Subroutine CHECK_AERO_ICBC( IBCON0, LM2WET, USE_M2, IS_BC, \n & L_WRITE_WARNING, COL, ROW, LAY )\n\nC Subroutine checks that all size distributions from boundary and\nC initial conditions are within tolerances for diameter and mode\nC width. If any parameters are out of range or particle number or mass\nC are neglgible, this routine will enforce default parameters and\nC recalculate all three moments so that calculations in subsequent \nC modules are stable.\nC\nC Inputs: IBCON - the actual initial or boundary condition vector of \nC concentrations from the calling routine\nC LM2WET - Logical identifying if the second moment of the \nC distribution is dry or wet. False = Dry. 'Wet'\nC aerosol includes species for which the variable\nC no_M2Wet is set to True in the aerolist.\nC USE_M2 - Logical prescribing whether or not to use\nC the second moment from the input IC or BC file. \nC True = use the 2nd moment input from the file.\nC IS_BC - TRUE if this is for BCs, FALSE for ICs\nC L_WRITE_WARNING - Should a warning be printed if a size\nC distribution fails\nC\nC 11 May 16 B.Murphy Program Written\nC\nC-----------------------------------------------------------------------\n Use AEROMET_DATA, only : pi, f6pi\n Use CGRID_SPCS, only : N_AE_TRNS, N_AE_SPC\n Use HGRD_DEFN, ONLY : NROWS, NCOLS\n\n#ifndef mpas\n#ifdef parallel\n USE SE_MODULES ! stenex (using SE_COMM_MODULE, SE_UTIL_MODULE)\n#else\n USE NOOP_MODULES ! stenex (using NOOP_COMM_MODULE, NOOP_UTIL_MODULE)\n#endif\n#endif\n\n\n Implicit None\n\n REAL, INTENT(INOUT) :: IBCON0( : )\n LOGICAL, INTENT( IN ) :: LM2WET ! FALSE (Default) for Dry distribution parameters\n ! TRUE for Wet distribution parameters\n LOGICAL, INTENT( IN ) :: USE_M2 ! TRUE (Default) to use second moment from input file\n ! FALSE to ignore and overwrite M2 from input\n ! file\n LOGICAL, INTENT( IN ) :: IS_BC ! TRUE if BCON called this routine. \n ! FALSE if ICON called it\n LOGICAL, INTENT( INOUT ) :: L_WRITE_WARNING ! TRUE if warning should be printed \n ! when size distribution fails tests\n INTEGER, INTENT( IN ) :: COL, ROW, LAY\n\n INTEGER :: LSTAT( N_MODE ) ! 0 - Distribution is ok\n ! Nonzero values indicate problem with\n ! modal parameters. See below \n ! | Before After\n REAL(8) :: AER_PAR( 2, N_MODE, 8 ) !Track the modal parameters! | N, N\n !before and after the IC/BC! | M2WET, M2WET\n !check routine ! | M2DRY, M2DRY\n ! | M3WET, M3WET\n ! | M3DRY, M3DRY\n ! | dgwet, dgwet\n ! | dgdry, dgdry\n ! | sigma, sigma\n INTEGER, SAVE :: J, SFX, EFX, NFX, WFX\n LOGICAL, SAVE :: BNDY_PE_LOY, BNDY_PE_HIY,\n & BNDY_PE_LOX, BNDY_PE_HIX\n LOGICAL, SAVE :: FIRST_TIME = .TRUE.\n LOGICAL :: LBC\n\n REAL(8), PARAMETER :: F1PI = 1.d0 / REAL(pi,8)\n REAL(8), PARAMETER :: ONE_THIRD = 1.0d0 / 3.0d0\n REAL(8), PARAMETER :: TWO_THIRDS = 2.0d0 / 3.0d0\n CHARACTER( 199 ) :: XMSG2 = ' '\n \n ! Definition of Distribution Error Statuses (LSTAT):\n ! 0 = All Parameters within Limits\n ! 4 = Standard Deviation is just barely invalid. \n ! Reset Surface Area but don't warn. (i.e. 1.04999 vs. 1.05)\n ! 5 = Diameter is just barely invalid but Standard Deviation \n ! is valid. Reset Number and Surface Area but don't warn.\n ! 6 = Diameter and Standard Deviation are barely invalid. \n ! Reset Number and Surface Area but don't warn.\n ! 11 = Mass is below limit. Reset distribution to minimum valid\n ! concentration (i.e. conmin).\n ! 12 = Number is below limit. Reset number and Surface Area\n ! 13 = Surface Area is below limit but diameter is valid.\n ! Set standard deviation to default (def_l2sg) and reset \n ! Surface Area.\n ! 14 = Standard Deviation is invalid. Reset Surface Area.\n ! 15 = Diameter is invalid but Standard Deviation is valid.\n ! Reset Number and Surface Area.\n ! 16 = Diameter and Standard Deviation are invalid. Reset\n ! Number and Surface Area.\n\n\nC Local variables:\n\n INTEGER :: IMODE, IT, IS\n REAL(8), ALLOCATABLE :: IBCON(:)\n REAL(8) :: NUM, M2, M3, M3DRY, M3WET, M2WET, M2DRY, \n & l2sg, dg, dgdry, dgwet, sg, l2sg_new\n REAL, Parameter :: KGPMG = 1.0E-9 !Kilogram per microgram m-3\n\n IF ( FIRST_TIME ) THEN\n FIRST_TIME = .FALSE.\n\n#ifndef mpas\n ! Retrieve Info about boundary cells\n CALL SUBST_HI_LO_BND_PE ( 'R', BNDY_PE_LOY, BNDY_PE_HIY )\n CALL SUBST_HI_LO_BND_PE ( 'C', BNDY_PE_LOX, BNDY_PE_HIX )\n#endif\n SFX = 0\n EFX = NCOLS + 1\n NFX = NCOLS + NROWS + 3\n WFX = 2 * NCOLS + NROWS + 4\n END IF\n\n ! First Determine Whether or Not this is a true Boundary\n ! Condition Processor and GridCell\n IF ( IS_BC ) THEN\n LBC = .FALSE.\n IF ( BNDY_PE_LOY .AND. ROW .GT. SFX .AND.\n & ROW .LE. SFX+NCOLS ) LBC = .TRUE.\n \n IF ( BNDY_PE_HIX .AND. ROW .GT. EFX .AND.\n & ROW .LE. EFX+NROWS ) LBC = .TRUE.\n\n IF ( BNDY_PE_HIY .AND. ROW .GT. NFX .AND.\n & ROW .LE. NFX+NCOLS ) LBC = .TRUE.\n \n IF ( BNDY_PE_LOX .AND. ROW .GT. WFX .AND. \n & ROW .LE. WFX+NROWS ) LBC = .TRUE.\n \n IF ( .NOT. LBC ) RETURN\n\n END IF\n\n ! Initialize Aerosol ICBC Check Routine\n LSTAT = 0\n AER_PAR = 0.0d0\n dg = 0.0d0\n sg = 0.0d0\n \n CALL MAP_AERO()\n ALLOCATE( IBCON( SIZE(IBCON0) ) )\n IBCON = REAL( IBCON0, 8 )\n\n !Loop Through Each Aerosol Mode. Sum up the third moment, then calculate \n !the Dg and Sg of the mode and check to make sure they are valid. When \n !checking Dg, use wet or dry diameter limits depending on the state of\n !the incoming (initial or boundary) size distribution.\n DO IMODE = 1,N_MODE\n\n IF ( IS_BC ) THEN\n ! IBCON is stored in order of Transported Aerosols\n NUM = SUM( IBCON( : ), MASK = ( L_AETR_MODE( IMODE,: ) .AND. L_AETR_NUM ) ) \n M2 = SUM( IBCON( : ), MASK = ( L_AETR_MODE( IMODE,: ) .AND. L_AETR_SRF ) ) * F1PI\n \n M3DRY = SUM( IBCON( : ) * REAL( AEROCGRID_RHOINV * F6PI, 8), \n & MASK = ( L_AETR_MASS .AND. L_AETR_MODE( IMODE,: ) \n & .AND. L_AETR_DRY ) ) \n M3WET = SUM( IBCON( : ) * REAL( AEROCGRID_RHOINV * F6PI, 8), \n & MASK = ( L_AETR_MASS .AND. L_AETR_MODE( IMODE,: ) ) )\n ELSE\n ! IBCON is stored in order of CGRID\n NUM = SUM( IBCON( : ), MASK = ( L_AESP_MODE( IMODE,: ) .AND. L_AESP_NUM ) )\n M2 = SUM( IBCON( : ), MASK = ( L_AESP_MODE( IMODE,: ) .AND. L_AESP_SRF ) ) * F1PI\n \n M3DRY = SUM( IBCON( : ) * REAL( AEROCGRID_RHOINV * F6PI, 8), \n & MASK = ( L_AESP_MASS .AND. L_AESP_MODE( IMODE,: ) \n & .AND. L_AESP_DRY ) ) \n M3WET = SUM( IBCON( : ) * REAL( AEROCGRID_RHOINV * F6PI, 8), \n & MASK = ( L_AESP_MASS .AND. L_AESP_MODE( IMODE,: ) ) ) \n END IF\n \n ! Store M2 as Wet or Dry\n IF ( LM2WET ) THEN\n M2WET = M2\n M2DRY = 0. \n ELSE\n M2WET = 0.\n M2DRY = M2\n END IF\n \n ! If checking Boundary Conditions, the concentrations are\n ! already in kilograms, thus we do not need to convert them\n ! before applying aerosol density (kg m-3). If checking Initial\n ! Conditions, we do need to convert micrograms to kilograms.\n IF ( .NOT. IS_BC ) THEN \n M3WET = M3WET * REAL( KGPMG,8)\n M3DRY = M3DRY * REAL( KGPMG,8)\n END IF\n\n AER_PAR ( 1, IMODE, 1 ) = NUM\n AER_PAR ( 1, IMODE, 2 ) = M2WET\n AER_PAR ( 1, IMODE, 3 ) = M2DRY\n AER_PAR ( 1, IMODE, 4 ) = M3WET\n AER_PAR ( 1, IMODE, 5 ) = M3DRY\n AER_PAR ( 1, IMODE, 6 ) = 0. \n AER_PAR ( 1, IMODE, 7 ) = 0. \n AER_PAR ( 1, IMODE, 8 ) = 0. \n\n ! Begin Checking Aerosol Parameters. \n IF ( M3DRY .LT. 1.1e-30 .OR. M3WET .LT. 1.1e-30 ) THEN\n ! Dry or Wet Mass is below limit -> reset distribution\n LSTAT( IMODE ) = 11\n\n ! Set Problematic Aerosol Mass to Minimum valid\n ! concentration (i.e. conmin) in Output Vector\n IF ( IS_BC ) THEN\n DO IT = 1,N_AE_TRNS\n IF ( L_AETR_MODE( IMODE,IT ) .AND. L_AETR_MASS( IT ) ) \n & IBCON(IT) = MAX( IBCON(IT), CONMIND )\n END DO\n M3DRY = SUM( IBCON( : ) * REAL(AEROCGRID_RHOINV * F6PI,8), \n & MASK = ( L_AETR_MASS .AND. L_AETR_MODE( IMODE,: ) \n & .AND. L_AETR_DRY ) ) \n M3WET = SUM( IBCON( : ) * REAL(AEROCGRID_RHOINV * F6PI,8), \n & MASK = ( L_AETR_MASS .AND. L_AETR_MODE( IMODE,: ) ) )\n ELSE\n DO IS = 1,N_AE_SPC\n IF ( L_AESP_MODE( IMODE,IS ) .AND. L_AESP_MASS( IS ) ) \n & IBCON(IS) = MAX( IBCON(IS), CONMIND )\n END DO\n M3DRY = SUM( IBCON( : ) * REAL(AEROCGRID_RHOINV * F6PI,8), \n & MASK = ( L_AESP_MASS .AND. L_AESP_MODE( IMODE,: ) \n & .AND. L_AESP_DRY ) ) \n M3WET = SUM( IBCON( : ) * REAL(AEROCGRID_RHOINV * F6PI,8), \n & MASK = ( L_AESP_MASS .AND. L_AESP_MODE( IMODE,: ) ) ) \n END IF\n\n L2SG = REAL( DEF_L2SG( IMODE ),8)\n SG = EXP( SQRT( L2SG ) )\n \n DGDRY = REAL( DEF_DIAM( IMODE ),8) ! Dry Diameter Default\n NUM = M3DRY * ( EXP( -4.5 * L2SG ) ) / ( DGDRY ) ** 3\n M2DRY = EXP( ONE_THIRD * LOG( NUM ) + TWO_THIRDS * LOG( M3DRY ) - L2SG )\n \n DGWET = ( M3WET / NUM * EXP( -4.5 * L2SG ) ) ** ( ONE_THIRD )\n M2WET = EXP( ONE_THIRD * LOG( NUM ) + TWO_THIRDS * LOG( M3WET ) - L2SG )\n\n ELSE IF ( NUM .LT. 1.1e-30 ) THEN\n ! Number is below limit -> reset Num and Surf with\n ! default dry diameter and default standard deviation\n LSTAT( IMODE ) = 12\n\n L2SG = REAL( DEF_L2SG( IMODE ), 8)\n SG = EXP( SQRT( L2SG ) )\n\n DGDRY = REAL( DEF_DIAM( IMODE ), 8) ! Dry Diameter Default\n NUM = M3DRY * ( EXP( -4.5 * L2SG ) ) / ( DGDRY ) ** 3\n M2DRY = EXP( ONE_THIRD * LOG( NUM ) + TWO_THIRDS * LOG( M3DRY ) - L2SG )\n\n DGWET = ( M3WET / NUM * EXP( -4.5 * L2SG ) ) ** ( ONE_THIRD )\n M2WET = EXP( ONE_THIRD * LOG( NUM ) + TWO_THIRDS * LOG( M3WET ) - L2SG )\n\n ELSE IF ( M2 .LT. 1.1e-30 .OR. .NOT. USE_M2 ) THEN \n ! Mass and Number are valid. Surface area is either invalid\n ! or the user has issued an override. The mass and number\n ! concentrations specify the dry and wet diameters, and the\n ! second moment will be generated by assuming a\n ! representative sigma.\n LSTAT( IMODE ) = 13\n\n L2SG = REAL( DEF_L2SG( IMODE ), 8)\n SG = EXP( SQRT( L2SG ) )\n\n DGDRY = ( M3DRY / NUM * EXP( -4.5 * L2SG ) ) ** ( ONE_THIRD )\n M2DRY = EXP( ONE_THIRD * LOG( NUM ) + TWO_THIRDS * LOG( M3DRY ) - L2SG )\n\n DGWET = ( M3WET / NUM * EXP( -4.5 * L2SG ) ) ** ( ONE_THIRD )\n M2WET = EXP( ONE_THIRD * LOG( NUM ) + TWO_THIRDS * LOG( M3WET ) - L2SG )\n\n ELSE\n ! All three moments are possibly valid. \n ! Diagnose and Check Standard Deviation\n IF ( LM2WET ) THEN \n L2SG = ( ONE_THIRD * LOG( NUM ) + TWO_THIRDS * LOG( M3WET ) - LOG( M2WET ))\n ELSE\n L2SG = ( ONE_THIRD * LOG( NUM ) + TWO_THIRDS * LOG( M3DRY ) - LOG( M2DRY ))\n END IF\n\n sg = 1.0d0\n IF ( L2SG .gt. 0.0d0 ) SG = EXP( SQRT( L2SG ) )\n AER_PAR( 1, IMODE, 8 ) = SG\n IF ( (L2SG .LT. REAL( MIN_L2SG,8) .AND. L2SG .GT. 0.95d0 * REAL(MIN_L2SG,8)) .OR.\n & (L2SG .GT. REAL( MAX_L2SG,8) .AND. L2SG .LT. 1.05d0 * REAL(MAX_L2SG,8)) ) THEN\n ! Standard deviation is barely invalid. Don't trigger warning\n LSTAT( IMODE ) = 4\n ELSE IF ( L2SG .LT. REAL( 0.95*MIN_L2SG,8) .OR. L2SG .GT. REAL(1.05*MAX_L2SG,8) ) THEN \n ! Standard deviation is invalid. Reset Standard Deviation\n LSTAT( IMODE ) = 14\n END IF\n L2SG = MIN( MAX( L2SG, REAL(MIN_L2SG,8) ), REAL(MAX_L2SG,8) )\n SG = EXP( SQRT( L2SG ) )\n\n ! Diagnose and Check Dry Diameter against Limits\n DGDRY = ( M3DRY / NUM * EXP( -4.5 * L2SG ) ) ** ( ONE_THIRD )\n AER_PAR( 1, IMODE, 7 ) = DGDRY\n DGWET = ( M3WET / NUM * EXP( -4.5 * L2SG ) ) ** ( ONE_THIRD )\n AER_PAR( 1, IMODE, 6 ) = DGWET\n\n IF ( (DGDRY .GT. REAL(0.95*MIN_DG_DRY(IMODE),8) .AND. DGDRY .LT. REAL(MIN_DG_DRY(IMODE),8)) .OR.\n & (DGDRY .GT. REAL(MAX_DG_DRY(IMODE),8) .AND. DGDRY .LT. REAL(1.05*MAX_DG_DRY(IMODE),8)) ) THEN\n ! Diameter is barely invalid. Don't trigger warning\n IF ( LSTAT( IMODE ) .EQ. 4 ) THEN\n LSTAT( IMODE ) = 6 ! Both sg and dg are barely invalid\n ELSE IF (LSTAT( IMODE ) .EQ. 0 ) THEN\n LSTAT( IMODE ) = 5 ! Just dg is barely invalid\n END IF\n \n ELSE IF ( DGDRY .LT. REAL(0.95*MIN_DG_DRY( IMODE ),8) .OR. \n & DGDRY .GT. REAL(1.05*MAX_DG_DRY(IMODE) ,8 ) ) THEN\n ! Diameter is invalid. Reset Diameter\n IF ( LSTAT( IMODE ) .EQ. 4 .OR. LSTAT( IMODE ) .EQ. 12 ) THEN\n LSTAT( IMODE ) = 16 ! Both dg and sg are invalid\n ELSE IF ( LSTAT( IMODE ) .EQ. 0 ) THEN\n LSTAT( IMODE ) = 15 ! Just dg is invalid\n END IF\n ENDIF\n DGDRY = MIN( MAX( DGDRY, MIN_DG_DRY(IMODE) ), MAX_DG_DRY(IMODE) )\n\n ! Recalculate Number\n IF ( LSTAT( IMODE ) .GT. 0 ) \n & NUM = M3DRY * ( EXP( -4.5 * L2SG ) ) / ( DGDRY ) ** 3\n\n ! Recalculate Dry Second Moment\n M2DRY = EXP( ONE_THIRD * LOG( NUM ) + TWO_THIRDS * LOG( M3DRY ) - L2SG )\n\n ! Recalculate Wet Distribution Parameters\n DGWET = ( M3WET / NUM * EXP( -4.5 * L2SG ) ) ** ( ONE_THIRD )\n M2WET = EXP( ONE_THIRD * LOG( NUM ) + TWO_THIRDS * LOG( M3WET ) - L2SG )\n \n ENDIF\n\n ! Export Number Concentration and Surface Area Concentration\n IF ( LM2WET ) THEN\n M2 = M2WET\n ELSE\n M2 = M2DRY\n END IF\n\n IF ( IS_BC ) THEN\n DO IT = 1,N_AE_TRNS\n IF ( L_AETR_MODE( IMODE,IT ) .AND. L_AETR_NUM( IT ) ) IBCON0(IT) = REAL(NUM,4)\n IF ( L_AETR_MODE( IMODE,IT ) .AND. L_AETR_SRF( IT ) ) IBCON0(IT) = REAL(M2,4) * PI\n END DO\n ELSE\n DO IS = 1,N_AE_SPC\n IF ( L_AESP_MODE( IMODE,IS ) .AND. L_AESP_NUM( IS ) ) IBCON0(IS) = REAL(NUM,4)\n IF ( L_AESP_MODE( IMODE,IS ) .AND. L_AESP_SRF( IS ) ) IBCON0(IS) = REAL(M2,4) * PI\n END DO\n END IF\n\n !Save Modal Properties After the Check\n AER_PAR( 2, IMODE, 1 ) = NUM\n AER_PAR( 2, IMODE, 2 ) = M2WET\n AER_PAR( 2, IMODE, 3 ) = M2DRY\n AER_PAR( 2, IMODE, 4 ) = M3WET\n AER_PAR( 2, IMODE, 5 ) = M3DRY\n AER_PAR( 2, IMODE, 6 ) = DGWET\n AER_PAR( 2, IMODE, 7 ) = DGDRY\n AER_PAR( 2, IMODE, 8 ) = SG\n \n !Print warning if any aerosol BC or IC violated the size \n !distribution parameters\n IF ( LSTAT( IMODE ) .GT. 10 ) THEN\n IF ( IS_BC ) THEN\n IF ( L_WRITE_WARNING ) THEN\n L_WRITE_WARNING = .FALSE.\n WRITE( XMSG2, '(A)' ),\n & 'ATTENTION: Applying fix to aerosol Boundary' //\n & ' Conditions for aerosol modes.' //\n & ' Set verbose_rdbcon preprocessor flag to' //\n & ' learn more.'\n WRITE( LOGDEV, * )\n CALL LOG_MESSAGE( LOGDEV, XMSG2 ) \n WRITE( LOGDEV, * )\n END IF\n#ifdef verbose_rdbcon\n WRITE( LOGDEV,* )\n WRITE ( LOGDEV,'(7x,A55,I1,/,9x,A10,I4,A7,I3,A10,I2,/,7x,A20,I1,A42,/,9x,A51,/,\n & 9x,A19,1x,A3,8x,A5,8x,A5,8x,A5,8x,A5,8x,A5,8x,A5,8x,A2,/,\n & 27x,E11.3,1x,E11.3,1x,E11.3,1x,E11.3,1x,E11.3,1x,E11.3,1x,E11.3,4x,F7.3,/,\n & 9x,A19,1x,A3,8x,A5,8x,A5,8x,A5,8x,A5,8x,A5,8x,A5,8x,A2,/,\n & 27x,E11.3,1x,E11.3,1x,E11.3,1x,E11.3,1x,E11.3,1x,E11.3,1x,E11.3,4x,F7.3)'),\n & 'Warning: Applying Aerosol Boundary Conditions for mode ',IMODE,\n & 'BC Index: ',ROW,' Lay: ',LAY,' Status: ',LSTAT(IMODE),\n & 'The Offending Mode (',IMODE,') had diameter and/or sigma out of bounds.',\n & 'It was overwritten by changing the Num and SrfArea.',\n & 'Modal Props Before:','Num','M2WET','M2DRY','M3WET','M3DRY','DGWET','DGDRY','Sg',(AER_PAR(1,IMODE,j),j=1,8),\n & 'Modal Props After: ','Num','M2WET','M2DRY','M3WET','M3DRY','DGWET','DGDRY','Sg',(AER_PAR(2,IMODE,j),j=1,8)\n WRITE( LOGDEV,* )\n#endif\n ELSE\n IF ( L_WRITE_WARNING ) THEN\n L_WRITE_WARNING = .FALSE.\n WRITE( XMSG2, '(A)' ),\n & 'ATTENTION: Applying fix to aerosol Initial' //\n & ' Conditions for aerosol modes.' //\n & ' Set verbose_loadcgrid preprocessor flag to' //\n & ' learn more.'\n WRITE( LOGDEV, * )\n CALL LOG_MESSAGE( LOGDEV, XMSG2 ) \n WRITE( LOGDEV, * )\n END IF\n#ifdef verbose_loadcgrid \n WRITE( LOGDEV, * )\n WRITE ( logdev, '(7x,A55,I1,/,9x,A5,I3,A7,I3,A7,I3,A10,I2,/,7x,A20,I1,A42,/,9x,A51,/,\n & 9x,A19,1x,A3,8x,A5,8x,A5,8x,A5,8x,A5,8x,A5,8x,A5,8x,A2,/,\n & 27x,E11.3,1x,E11.3,1x,E11.3,1x,E11.3,1x,E11.3,1x,E11.3,1x,E11.3,4x,F7.3,/,\n & 9x,A19,1x,A3,8x,A5,8x,A5,8x,A5,8x,A5,8x,A5,8x,A5,8x,A2,/,\n & 27x,E11.3,1x,E11.3,1x,E11.3,1x,E11.3,1x,E11.3,1x,E11.3,1x,E11.3,4x,F7.3)'),\n & 'Warning: Applying Aerosol Initial Conditions for mode ',IMODE,\n & 'Col: ',COL,' Row: ',ROW,' Lay: ',LAY,' Status: ',LSTAT(IMODE),\n & 'The Offending Mode (',IMODE,') had diameter and/or sigma out of bounds.',\n & 'It was overwritten by changing the Num and SrfArea.',\n & 'Modal Props Before:','Num','M2WET','M2DRY','M3WET','M3DRY','DGWET','DGDRY','Sg',(AER_PAR(1,IMODE,j),j=1,8),\n & 'Modal Props After: ','Num','M2WET','M2DRY','M3WET','M3DRY','DGWET','DGDRY','Sg',(AER_PAR(2,IMODE,j),j=1,8)\n WRITE( LOGDEV,* )\n#endif\n END IF \n ENDIF\n ENDDO\n \n End Subroutine CHECK_AERO_ICBC\n\n!-----------------------------------------------------------------------\n Subroutine CALC_AERODIST_PARAMS( INIT_TIME )\n\n! Subroutine calculates the wet and then dry aerosol distribution parameters\n! and stores them in public arrays to be passed to the diagnostic \n! array.\n!-----------------------------------------------------------------------\n \n IMPLICIT NONE\n\n LOGICAL, INTENT( IN ) :: INIT_TIME\n\n CALL CALCMOMENTS( .TRUE. )\n CALL GETPAR( FIXED_sg )\n\n WET_AERO_DIAM( : ) = AEROMODE_DIAM( : ) * 1.0E6 ! um\n WET_AERO_M2 ( : ) = MOMENT2_CONC( : )\n WET_AERO_M3 ( : ) = MOMENT3_CONC( : )\n WET_AERO_DENS( : ) = AEROMODE_DENS( : )\n\n CALL CALCMOMENTS( .FALSE. )\n CALL GETPAR( FIXED_sg )\n\n DRY_AERO_DIAM( : ) = AEROMODE_DIAM( : ) * 1.0E6 ! um\n DRY_AERO_M2 ( : ) = MOMENT2_CONC( : )\n DRY_AERO_M3 ( : ) = MOMENT3_CONC( : )\n DRY_AERO_DENS( : ) = AEROMODE_DENS( : )\n\n END SUBROUTINE CALC_AERODIST_PARAMS\n\n End Module aero_data\n \n" }, { "path": "CCTM/src/aero/aero6/AERO_EMIS.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n MODULE AERO_EMIS\n\nC Emissions data and code required for the modal aerosol module in CMAQ\nC Based on original codes by Dr. Francis S. Binkowski and J. Young\n \nC Dependent Upon: NONE\n \nC Revision History:\n \nC 30 Aug 01 J.Young: dyn alloc - Use HGRD_DEFN\nC 09 Oct 03 J.Gipson: added MW array for AE emis species to module contents\nC 31 Jan 05 J.Young: dyn alloc - establish both horizontal & vertical\nC domain specifications in one module, GRID_CONF\nC 26 Apr 05 P.Bhave: removed code supporting the \"old type\" of emission \nC files that had unspeciated PM10 and PM2.5 only\nC removed need for 'AERO_SPC.EXT' by declaring the \nC required variables locally\nC 13 Jun 05 P.Bhave: added vars needed for sea-salt emission processing\nC inherit N_AE_EMIS,AE_EMIS,AE_EMIS_MAP from AE_EMIS.EXT\nC moved RHO* parameters from RDEMIS_AE to this module\nC for use by SSEMIS routine\nC 24 Aug 07 J.Young: Modified to enable in-line plume rise calculation for\nC 3D pt source emissions. Distinguish between PM (primary,\nC unspeciated, file data) and AE (model speciated). Re-\nC named RDEMIS_AE to GET_AERO_EMIS.\nC 11 Apr 08 J.Kelly: added code to emit coarse surface area\nC 4 Jan 10 J.Young: restructure; eliminate ref to older AERO versions\nC 21 Feb 10 J.Young: move sea salt emissions to its own module (SSEMIS)\nC 23 Apr 10 J.Young: replace include files with mechanism namelists\nC 30 Apr 10 J.Young: update to use aero_reeng by Steve Howard, Prakash Bhave,\nC Jeff Young, and Sergey Napelenok\nC 23 Jul 10 D.Wong: remove CLOSE3 and BARRIER\nC 24 Feb 11 J.Young: Reorganized module with initialization and timestepping\nC procedures\nC 25 Feb 11 J.Young: add windblown dust module\nC 25 Mar 11 S.Roselle: replaced I/O API include files with UTILIO_DEFN\nC 11 May 11 D.Wong: incorporated twoway model implementation\nC 18 Aug 11 David Wong: In the merge inline point source PM species calculation,\nC arrays EMBUFF and PMEMIS_PT have incorrect index values\nC 17 Apr 13 J.Young: replace \"SPFC ASO4\" (found by Havala Pye) with \"SPFC_ASO4\"\nC 07 Nov 14 J.Bash: Updated for the ASX_DATA_MOD shared data module. \nC-----------------------------------------------------------------------\n\n USE AERO_DATA, ONLY: DESID_N_AERO_REF, N_MODE\n USE DESID_VARS, ONLY: DESID_LAYS, DESID_STREAM_AERO, DESID_N_SRM, CELLVOL\n\n IMPLICIT NONE\n SAVE \nC aerosol emissions: [ppmv/s] for mass & number spcs, [m2/mol/s] for surface area spcs\n PUBLIC DESID_SIZE_DIST, AERO_EMIS_INIT, DESID_INIT_SIZE_DIST,\n & MAP_ISTRtoAERO, MAP_ISTRtoMODE, MAP_NUMtoISTR, MAP_SRFtoISTR,\n & MAP_ISTRtoNUM, MAP_ISTRtoSRF, MAP_ISTRtoSD, DESID_STREAM_AERO, \n & SD_SPLIT\n PRIVATE\n\nC Variables for converting mass emissions rate to number emissions rate\n REAL :: FACNUM( DESID_N_AERO_REF,N_MODE )\n\nC Variables for converting mass emissions rate to 2nd moment emissions rate\n REAL :: FACSRF( DESID_N_AERO_REF,N_MODE )\n\nC Variables for Saving split factors between emission modes\n REAL, ALLOCATABLE :: SD_SPLIT( :,: )\n\nC Emission rate of all aerosol species interpolated to current time\n INTEGER, ALLOCATABLE :: MAP_ISTRtoAERO( : ) \n INTEGER, ALLOCATABLE :: MAP_ISTRtoMODE( : ) \n INTEGER, ALLOCATABLE :: MAP_NUMtoISTR ( : ) \n INTEGER, ALLOCATABLE :: MAP_SRFtoISTR ( : ) \n INTEGER, ALLOCATABLE :: MAP_ISTRtoNUM ( : ) \n INTEGER, ALLOCATABLE :: MAP_ISTRtoSRF ( : ) \n INTEGER, ALLOCATABLE :: MAP_ISTRtoSD ( :,: ) \n INTEGER, ALLOCATABLE :: MAP_AEROtoDIFF( :,: ) ! indices of aero species to CGRID\n\nC Miscellaneous variables\n CHARACTER( 200 ) :: XMSG = ' '\n\n CONTAINS\n\nC-----------------------------------------------------------------------\n FUNCTION AERO_EMIS_INIT ( JDATE, JTIME, TSTEP ) RESULT ( SUCCESS)\n\nC Revision History:\n \nC 30 Aug 01 J.Young: dynamic allocation - Use INTERPX\nC 29 Jul 03 P.Bhave: added compatibility with emission files that contain \nC PM10, PEC, POA, PNO3, PSO4, and PMF, but do not \nC contain PMC\nC 20 Aug 03 J.Young: return aero emissions in molar mixing ratio, ppm units\nC 09 Oct 03 J.Gipson: added MW array for AE emis species to module contents\nC 01 Sep 04 P.Bhave: changed MW for primary organics from 120 to 220 g/mol,\nC to match MWPOA in subroutine ORGAER3.\nC 31 Jan 05 J.Young: dyn alloc - removed HGRD_ID, VGRID_ID, and COORD_ID \nC include files because those parameters are now \nC inherited from the GRID_CONF module\nC 26 Apr 05 P.Bhave: removed code supporting the \"old type\" of emission \nC files that had unspeciated PM10 and PM2.5 only\nC removed need for 'AERO_CONST.EXT' by declaring the\nC required variables locally\nC simplified the CONVM, CONVN, CONVS calculations\nC updated and enhanced in-line documentation\nC 03 May 05 P.Bhave: fixed bug in the H2SO4 unit conversion, initially\nC identified by Jinyou Liang of CARB\nC 13 Jun 05 P.Bhave: calculate sea-salt emissions; execute if MECHNAME = AE4\nC read input fields from new OCEAN_1 file\nC read extra input fields from MET_CRO_2D and MET_CRO_3D\nC write diagnostic sea-salt emission file\nC added TSTEP to call vector for diagnostic output file\nC inherit MWs from AE_SPC.EXT instead of hardcoding\nC find pointers to CGRID indices instead of hardcoding\nC 08 Mar 07 P.Bhave& added capability for emission files that contain \nC S.Roselle: POC or POA\nC 30 Jan 08 P.Bhave: added compatibility with AE5 mechanisms\nC 23 Mar 08 J.Young: modifications to allow for in-line point source emissions\nC 11 Apr 08 J.Kelly: added code to emit coarse surface area\nC 09 Sep 08 P.Bhave: backward compatibility with AE4 mechanisms\nC 20 Feb 10 J.Young: move ssemis out to its own F90 module\nC 24 Feb 11 J.Young: add windblown dust emissions option\nC 25 Mar 11 S.Roselle: Replaced I/O API include files with UTILIO_DEFN\nC 07 Jul 14 B.Hutzell: replaced mechanism include file(s) with fortran module\nC 17 Sep 14 K.Fahey: Changed geometric mean diameter and geometric\nC standard deviation of emitted particles according to \nC Elleman and Covert (2010)\nC 15 Apr 16 J.Young: Use aerosol factors from the AERO_DATA module's named constants;\nC Moved K.Fahey's mods to geometric mean diameter and standard\nC deviation to the AERO_DATA module\n \nC References:\nC CRC76, \"CRC Handbook of Chemistry and Physics (76th Ed)\",\nC CRC Press, 1995\nC Elleman & Covert, \"Aerosol size distribution modeling with the Community\nC Multiscale Air Quality modeling system in the Pacific\nC Northwest: 3. Size distribution of particles emitted\nC into a mesoscale model\", J. Geophys. Res., Vol 115,\nC No D3, doi:10.1029/2009JD012401, 2010\nC Hobbs, P.V. \"Basic Physical Chemistry for the Atmospheric Sciences\",\nC Cambridge Univ. Press, 206 pp, 1995.\nC Snyder, J.P. \"Map Projections-A Working Manual\", U.S. Geological Survey\nC Paper 1395 U.S.GPO, Washington, DC, 1987.\nC Binkowski & Roselle Models-3 Community Multiscale Air Quality (CMAQ)\nC model aerosol component 1: Model Description. \nC J. Geophys. Res., Vol 108, No D6, 4183 \nC doi:10.1029/2001JD001409, 2003\nC-----------------------------------------------------------------------\n\n USE AERO_DATA, ONLY: DESID_AERO_REF, N_AEROSPC, AEROSPC, \n & AERO_MISSING, MAP_AERO\n USE GRID_CONF, ONLY: GDTYP_GD, XCELL_GD, YCELL_GD, YORIG_GD, GL_NROWS, X3FACE_GD\n USE DUST_EMIS, ONLY: DUST_EMIS_INIT\n USE DESID_VARS, ONLY: MAP_ISTRtoEMVAR\n USE PRECURSOR_DATA, ONLY: MAP_PRECURSOR\n USE RUNTIME_VARS, ONLY: OCEAN_CHEM, WB_DUST\n USE SSEMIS, ONLY: SSEMIS_INIT\n USE UTILIO_DEFN\n USE VDIFF_MAP, ONLY : N_SPC_DIFF, DIFF_SPC\n \n INCLUDE SUBST_CONST ! physical and mathematical constants\n INCLUDE SUBST_FILES_ID ! file name parameters\n\nC Arguments:\n\n INTEGER, INTENT( IN ) :: JDATE ! current model date, coded YYYYDDD\n INTEGER, INTENT( IN ) :: JTIME ! current model time, coded HHMMSS\n INTEGER, INTENT( IN ) :: TSTEP ! time step vector (HHMMSS)\n ! TSTEP(1) = local output step\n LOGICAL SUCCESS\n\nC External Functions:\n INTEGER, EXTERNAL :: FINDEX ! looks up number in table.\n\nC Local Variables:\n REAL DGV, SG, SPLIT_ACCUM\n\nC Domain decomposition info from emission and meteorology files\n INTEGER GXOFF, GYOFF ! origin offset\n\nC Miscellaneous variables\n INTEGER STATUS ! ENV..., ALLOCATE status\n CHARACTER( 16 ), SAVE :: PNAME = 'AERO_EMIS_INIT '\n CHARACTER( 16 ) :: VNAME ! temp var for species names\n CHARACTER( 50 ) :: VARDESC ! variable for reading environ. variables\n INTEGER L, N, S, V, IAERO, ISRM, ! Loop indices\n & IEM, IDIFF, ISPC\n\nC ----------------------------------------------------------------------\n\n SUCCESS = .TRUE.\n\nC *** Map data modules\n CALL MAP_AERO()\n CALL MAP_PRECURSOR()\n\nC *** set up for sea-spray emission processing\n IF ( OCEAN_CHEM ) THEN\n IF ( .NOT. SSEMIS_INIT( JDATE, JTIME, TSTEP ) ) THEN\n XMSG = 'Failure initializing sea-spray emission processing'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n END IF\n\nC *** set up for dust emission processing\n IF ( WB_DUST ) THEN\n IF ( .NOT. DUST_EMIS_INIT( JDATE, JTIME, TSTEP ) ) THEN\n XMSG = 'Failure initializing dust emission processing'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n END IF\n\nC *** Set up emissions size distribution arrays\n ! Calculate factors for converting 3rd moment emission rates into \n ! number and surface area emission rates. See Equation 7b of \n ! Binkowski & Roselle (2003)\n DO IEM = 1,DESID_N_AERO_REF\n DO N = 1, N_MODE\n DGV = DESID_AERO_REF( IEM )%DGVEM( N )\n SG = DESID_AERO_REF( IEM )%SGEM ( N )\n\n IF ( DESID_AERO_REF( IEM )%SPLIT( N ) .GT. 0.0 ) THEN\n FACNUM( IEM,N ) = EXP( 4.5 * LOG( SG ) ** 2 ) / DGV ** 3\n FACSRF( IEM,N ) = PI * EXP( 0.5 * LOG( SG ) ** 2 ) / DGV\n ELSE\n FACNUM( IEM,N ) = 0.0\n FACSRF( IEM,N ) = 0.0\n END IF\n END DO\n\n END DO\n\n ! Map the Modal-Dependent Names to Transported Species\n ALLOCATE ( MAP_AEROtoDIFF( N_AEROSPC, N_MODE ) )\n DO ISPC = 1,N_AEROSPC\n DO N = 1,N_MODE\n MAP_AEROtoDIFF( ISPC, N ) = INDEX1( AEROSPC( ISPC )%name( N ), \n & N_SPC_DIFF, DIFF_SPC )\n END DO\n END DO\n\n \n ! Modify the reference emissions splits based on what transported \n ! aerosol species are actually available. For example, if the aerosol\n ! namelist only includes the accumulation mode (J) but not the \n ! Aitken mode (I) for a particular species, then the split for\n ! Aitken mode should be added to the Accumulation mode. Save\n ! these scale factors as a function of transported species and\n ! mode. \n ALLOCATE( SD_SPLIT( N_SPC_DIFF, DESID_N_AERO_REF ) )\n SD_SPLIT = 0.0\n DO IEM = 1,DESID_N_AERO_REF\n ! For the Fine Mode Reference Distribution, lump Aitken\n ! with Accumulation mode if Aitken Mode does not exist\n IF ( DESID_AERO_REF( IEM )%NAME .EQ. 'FINE_REF' ) THEN\n DO ISPC = 1,N_AEROSPC\n SPLIT_ACCUM = 0.0\n DO N = 1,N_MODE-1\n IF ( AERO_MISSING( ISPC,N ) ) THEN\n SPLIT_ACCUM = SPLIT_ACCUM + DESID_AERO_REF( IEM )%SPLIT( N )\n ELSE\n SD_SPLIT( MAP_AEROtoDIFF( ISPC,N ),IEM ) = \n & SD_SPLIT( MAP_AEROtoDIFF( ISPC,N ),IEM ) +\n & DESID_AERO_REF( IEM )%SPLIT( N ) + SPLIT_ACCUM\n SPLIT_ACCUM = 0.0\n END IF\n END DO\n END DO\n ELSE \n ! Arbitrary Distribution -> Apply factor to species\n ! if it exists in each mode\n DO ISPC = 1, N_AEROSPC\n DO N = 1, N_MODE\n IF ( .NOT. AERO_MISSING( ISPC,N ) ) THEN\n SD_SPLIT( MAP_AEROtoDIFF( ISPC,N ),IEM ) = \n & DESID_AERO_REF( IEM )%SPLIT( N ) \n END IF\n END DO\n END DO\n END IF\n END DO\n \n ALLOCATE ( MAP_NUMtoISTR ( N_MODE ),\n & MAP_SRFtoISTR ( N_MODE ), STAT = STATUS )\n CALL CHECKMEM( STATUS, 'MAP_NUMtoEM', PNAME )\n CALL CHECKMEM( STATUS, 'MAP_SRFtoEM', PNAME )\n \n END FUNCTION AERO_EMIS_INIT\n\nC-----------------------------------------------------------------------\n\n SUBROUTINE DESID_INIT_SIZE_DIST ( JDATE, JTIME )\n\nC EM_SD_INIT initializes the structures that map modes and streams to\nC reference modes including splits, diameters, and standard deviations.\n\nC-----------------------------------------------------------------------\n USE AERO_DATA, ONLY: DESID_AERO_REF, DESID_N_AERO_REF\n USE DESID_VARS, ONLY: DESID_SD_NML\n USE DESID_UTIL, ONLY: DESID_GET_RULE_STREAMS\n USE UTILIO_DEFN, ONLY: INDEX1, XSTAT1, M3EXIT, UPCASE\n \n IMPLICIT NONE\n\n INTEGER, INTENT( IN ) :: JDATE ! current model date, coded YYYYDDD\n INTEGER, INTENT( IN ) :: JTIME ! current model time, coded HHMMSS\n INTEGER ISRM\n \n INTEGER :: N_SD_RULE\n INTEGER :: N_SD( DESID_N_SRM )\n CHARACTER( 16 ) :: SD_NAME( DESID_N_SRM, 10 )\n INTEGER :: SD( DESID_N_SRM, 10 )\n LOGICAL :: RULE_STREAM( DESID_N_SRM )\n CHARACTER( 16 ) :: CSUR\n CHARACTER( 16 ), SAVE :: PNAME = 'EM_SD_INIT '\n CHARACTER( 20 ) :: DESID_AERO_REF_CAPS( DESID_N_AERO_REF )\n\n INTEGER IRULE, ISUR, N, NLEN, ISD, IM, IEM, NRULE\n LOGICAL :: LREMOVE, LERROR\n \n ! Find Total Number of Size Distribution Registries\n N_SD_RULE = 0\n DO IRULE = 1,SIZE( DESID_SD_NML )\n IF ( DESID_SD_NML( IRULE )%STREAM .EQ. '' ) EXIT\n N_SD_RULE = IRULE\n END DO\n\n ! First Load all of the Streams with the Default FINE, COARSE, and\n ! AERO Mode references\n SD = 0\n SD_NAME = ''\n\n ! Capitalize EM_AERO_REF(:)%NAME\n DO IM = 1,DESID_N_AERO_REF\n DESID_AERO_REF_CAPS( IM ) = DESID_AERO_REF( IM )%NAME\n CALL UPCASE( DESID_AERO_REF_CAPS( IM ) )\n ENDDO\n\n DO ISRM = 1,DESID_N_SRM\n N_SD( ISRM ) = 2\n SD_NAME( ISRM,1 ) = 'FINE'\n SD( ISRM,1 ) = INDEX1( 'FINE_REF', DESID_N_AERO_REF, DESID_AERO_REF_CAPS( : ) )\n SD_NAME( ISRM,2 ) = 'COARSE'\n SD( ISRM,2 ) = INDEX1( 'COARSE_REF', DESID_N_AERO_REF, DESID_AERO_REF_CAPS( : ) )\n END DO\n \n ! Now Modify those defaults or add new modes to desired streams\n DO IRULE = 1, N_SD_RULE\n ! Expand Size Distribution Rule to All Streams if Requested\n LREMOVE = .FALSE.\n IF ( DESID_SD_NML( IRULE )%STREAM .EQ. '' ) CYCLE\n CALL DESID_GET_RULE_STREAMS( DESID_SD_NML( IRULE )%STREAM, IRULE, \n & RULE_STREAM, LREMOVE, LERROR )\n IF ( LREMOVE ) CYCLE\n\n ! Loop through streams, set defaults, and build map array\n DO ISRM = 1, DESID_N_SRM\n IF ( RULE_STREAM( ISRM ) ) THEN\n ! This Stream is Being Modified by a Size Distribution\n ! rule\n CALL UPCASE( DESID_SD_NML( IRULE )%MODE_REF )\n IF ( DESID_SD_NML( IRULE )%MODE .EQ. 'FINE' ) THEN\n ! Overwrite the FINE mode. All fine particle species\n ! will go to this mode by default\n SD( ISRM,1 ) = INDEX1( DESID_SD_NML( IRULE )%MODE_REF,\n & DESID_N_AERO_REF, DESID_AERO_REF_CAPS( : ) )\n IF ( SD( ISRM,1 ) .EQ. 0 ) THEN\n WRITE( XMSG,'(A,A,A,/,A,I2,A)' ), '*** Reference Aerosol Mode (', \n & DESID_SD_NML( IRULE )%MODE_REF, 'Specified in Emissions Size ',\n & 'Dist Rule ',IRULE,' does not exist in AERO_DATA.'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n ELSEIF ( DESID_SD_NML( IRULE )%MODE .EQ. 'COARSE' ) THEN\n ! Overwrite the COARSE mode. All coarse particle\n ! species will go to this mode by default\n SD( ISRM,2 ) = INDEX1( DESID_SD_NML( IRULE )%MODE_REF,\n & DESID_N_AERO_REF, DESID_AERO_REF_CAPS( : ) )\n IF ( SD( ISRM,2 ) .EQ. 0 ) THEN\n WRITE( XMSG,'(A,A,A,/,A,I2,A)' ), '*** Reference Aerosol Mode (', \n & DESID_SD_NML( IRULE )%MODE_REF, 'Specified in Emissions Size ',\n & 'Dist Rule ',IRULE,' does not exist in AERO_DATA.'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n ELSE\n ! Add a New Available Mode. For example, add a mode\n ! just for BC, call it PUREBC, and make sure the AEC\n ! for this stream is pointing to this mode. Also make\n ! sure you set AEC for FINE mode aerosol to 0.0 if\n ! you have default mapping turned on.\n N_SD( ISRM ) = N_SD( ISRM ) + 1\n SD_NAME( ISRM,N_SD( ISRM ) ) = DESID_SD_NML( IRULE )%MODE\n SD( ISRM,N_SD( ISRM ) ) = INDEX1( DESID_SD_NML( IRULE )%MODE_REF,\n & DESID_N_AERO_REF, DESID_AERO_REF_CAPS( : ) )\n IF ( SD( ISRM,N_SD( ISRM )) .EQ. 0 ) THEN\n WRITE( XMSG,'(A,A,A,/,A,I2,A)' ), '*** Reference Aerosol Mode (', \n & DESID_SD_NML( IRULE )%MODE_REF, 'Specified in Emissions Size ',\n & 'Dist Rule ',IRULE,' does not exist in AERO_DATA.'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n END IF\n END IF\n END DO\n END DO\n \n ! Finally, transfer this data to a global variable which\n ! captures and organizes the modes of each stream\n ALLOCATE( DESID_STREAM_AERO( DESID_N_SRM ) )\n DO ISRM = 1,DESID_N_SRM\n N = N_SD( ISRM )\n DESID_STREAM_AERO( ISRM )%LEN = N + 1\n ALLOCATE( DESID_STREAM_AERO( ISRM )%NAME( N+1 ) )\n ALLOCATE( DESID_STREAM_AERO( ISRM )%REF( N+1 ) )\n ALLOCATE( DESID_STREAM_AERO( ISRM )%FACNUM( N+1,N_MODE ) )\n ALLOCATE( DESID_STREAM_AERO( ISRM )%FACSRF( N+1,N_MODE ) )\n\n DESID_STREAM_AERO( ISRM )%NAME( 2:N+1 ) = SD_NAME( ISRM,1:N )\n DESID_STREAM_AERO( ISRM )%REF( 2:N+1 ) = SD( ISRM,1:N )\n DESID_STREAM_AERO( ISRM )%NAME( 1 ) = 'GAS'\n DESID_STREAM_AERO( ISRM )%REF( 1 ) = 0\n\n ! Map Factors for Converting Aerosol Mass to Number and\n ! Surface Area to each Emission Stream\n DESID_STREAM_AERO( ISRM )%FACNUM( :,: ) = 0.0\n DESID_STREAM_AERO( ISRM )%FACSRF( :,: ) = 0.0\n DO ISD = 2,N+1\n IEM = DESID_STREAM_AERO( ISRM )%REF( ISD )\n DO IM = 1,N_MODE\n DESID_STREAM_AERO( ISRM )%FACNUM( ISD,IM ) = FACNUM( IEM,IM ) \n DESID_STREAM_AERO( ISRM )%FACSRF( ISD,IM ) = FACSRF( IEM,IM )\n END DO\n END DO\n END DO\n\n END SUBROUTINE DESID_INIT_SIZE_DIST \n\n\nC-----------------------------------------------------------------------\n\n SUBROUTINE DESID_SIZE_DIST ( ISRM, VDEMIS, NL )\n\nC EMISS_SIZE_DIST distributes bulk aerosol emissions into size space\nC using parameters precompiled in the AERO_DATA module. \nC\nC Revision History:\n\nC 16 AUG 17 BMURPHY: Created\nC \nC ----------------------------------------------------------------------\n\n USE AERO_DATA, ONLY: AEROSPC, N_AEROSPC, AEROSPC_MWINV \n USE AEROMET_DATA, ONLY: F6DPI\n USE ASX_DATA_MOD, ONLY: MET_DATA\n USE DESID_VARS, ONLY: DESID_N_ISTR, IDUSTSRM, ISEASRM\n USE GRID_CONF, ONLY: NCOLS, NROWS\n USE SSEMIS, ONLY: SEA_FACTNUM, SEA_FACTSRF\n\n INTEGER, INTENT( IN ) :: ISRM, NL\n REAL, INTENT( INOUT ) :: VDEMIS ( :,:,:,: ) \n\n INTEGER :: N, S, IAERO, IM, ISD, ISTR ! Looping Variables\n INTEGER :: ROW, COL, LAY, N_SD, INUM, ISRF, MAX_N_SD\n REAL :: FACNUM, FACSRF, MW_FAC\n REAL, ALLOCATABLE, SAVE :: EMISM3( :,:,:,:,: ) \n REAL, ALLOCATABLE, SAVE :: GSFAC( :,:,: )\n REAL, ALLOCATABLE, SAVE :: DENS_FAC( : )\n REAL, PARAMETER :: F6DPIM9 = 1.0E-9 * F6DPI ! 1.0E-9 = Kg/ug\n LOGICAL, SAVE :: FIRST_TIME = .TRUE.\n\nC *** Initialize Variables \n \n IF ( FIRST_TIME ) THEN\n FIRST_TIME = .FALSE.\n ALLOCATE( GSFAC ( DESID_LAYS,NCOLS,NROWS ) )\n\n ALLOCATE( DENS_FAC( N_AEROSPC ) )\n DO IAERO = 1,N_AEROSPC\n DENS_FAC( IAERO ) = F6DPIM9 / AEROSPC( IAERO )%DENSITY\n END DO\n \n MAX_N_SD = MAXVAL( DESID_STREAM_AERO(:)%LEN )\n\n ALLOCATE( EMISM3( DESID_LAYS,NCOLS,NROWS,N_MODE,MAX_N_SD ) )\n\n END IF\n N_SD = DESID_STREAM_AERO( ISRM )%LEN \n EMISM3 = 0.0\n\nC *** Calculate scaling factor for converting mass emissions into [ug/m3/s]\nC note: RJACM converts grid heights from sigma coordinates to meters\nC Also calculate scaling factors for converting to molar-mixing-ratio units\n DO LAY = 1,NL\n GSFAC( LAY,:,: ) = Met_Data%RJACM( :,:,LAY ) / CELLVOL( :,:,LAY ) ![ug/s] to [ug/m3/s]\n END DO\n \nC *** Apply Aerosol Size Distribution\n DO ISTR = 1, DESID_N_ISTR\n ! Find which Size Distribution or Phase this emissions species belongs \n ! to for this stream. If the value is a 0, then there are no emissions \n ! for this species from this stream. If it is a 1, then this species is\n ! a gas and the following aerosol conversions should be skipped.\n ISD = MAP_ISTRtoSD( ISTR,ISRM )\n IF ( ISD .LE. 1 ) CYCLE\n \n ! Look up Aerosol Species and Mode of Interest\n IAERO = MAP_ISTRtoAERO( ISTR ) !This maps to the CMAQ aerosol\n ! species so we can retrieve density\n IM = MAP_ISTRtoMODE( ISTR ) !This maps to the internal CMAQ modes \n ! (ie. I, J, and K)\n\n ! Convert Aerosol from [g/s] to [ug/m3/s] for all streams\n ! except Dust and Sea Spray. For those streams, convert\n ! [g/m3/s] to [ug/m3/s]\n VDEMIS( ISTR,1:NL,:,: ) = VDEMIS( ISTR,1:NL,:,: ) * 1.0E6\n\n IF ( ISRM .NE. ISEASRM .AND. ISRM .NE. IDUSTSRM ) THEN\n VDEMIS( ISTR,1:NL,:,: ) = VDEMIS( ISTR,1:NL,:,: ) * GSFAC( 1:NL,:,: ) \n END IF\n\n ! Sum Total Volume of Mode N [m3/m3/s]\n IF ( .NOT. AEROSPC( IAERO )%TRACER )\n & EMISM3( 1:NL,:,:,IM,ISD ) = EMISM3( 1:NL,:,:,IM,ISD ) + \n & VDEMIS( ISTR,1:NL,:,: ) * DENS_FAC( IAERO )\n\n ! Convert Mass Emission Rates from [ug/m3/s] to [umol/m3/s]\n VDEMIS( ISTR,1:NL,:,: ) = VDEMIS( ISTR,1:NL,:,: ) * AEROSPC_MWINV( IAERO )\n\n END DO \n\nC *** Calculate the number emissions rate for each mode [1/m3/s], using \nC Equation 7b of Binkowski & Roselle (2003).\nC Calculate the surface area emissions rate for the fine modes [m2/m3/s],\nC using Equation 7c of Binkowski & Roselle (2003). Multiplying by PI \nC converts 2nd moment to surface area.\n \n DO ISD = 2, N_SD ! Skip the Index for the Gas Phase\n IF ( ISRM .EQ. ISEASRM ) THEN\n ! Apply Spatially-Dependent Number and Surface Area Scale Factors\n DO IM = 1, N_MODE\n INUM = MAP_NUMtoISTR(IM)\n VDEMIS( INUM,1,:,: ) = VDEMIS( INUM,1,:,: ) \n & + EMISM3( 1,:,:,IM,ISD ) * SEA_FACTNUM( IM,:,: ) \n\n ISRF = MAP_SRFtoISTR(IM)\n VDEMIS( ISRF,1,:,: ) = VDEMIS( ISRF,1,:,: ) \n & + EMISM3( 1,:,:,IM,ISD ) * SEA_FACTSRF( IM,:,: ) \n END DO\n ELSE\n ! Apply Homogeneous Scale Factors Consistent with this Stream\n DO IM = 1, N_MODE\n INUM = MAP_NUMtoISTR(IM)\n FACNUM = DESID_STREAM_AERO( ISRM )%FACNUM( ISD,IM )\n VDEMIS( INUM,1:NL,:,: ) = VDEMIS( INUM,1:NL,:,: ) + EMISM3( 1:NL,:,:,IM,ISD ) * FACNUM\n\n ISRF = MAP_SRFtoISTR(IM)\n FACSRF = DESID_STREAM_AERO( ISRM )%FACSRF( ISD,IM )\n VDEMIS( ISRF,1:NL,:,: ) = VDEMIS( ISRF,1:NL,:,: ) + EMISM3( 1:NL,:,:,IM,ISD ) * FACSRF\n END DO\n END IF\n END DO\n \n END SUBROUTINE DESID_SIZE_DIST\n \n END MODULE AERO_EMIS\n\n" }, { "path": "CCTM/src/aero/aero6/PRECURSOR_DATA.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n Module precursor_data\n\nC Defines gas phase aerosol precursor data.\n\nC Contains:\nC Subroutine extract_precursor\nC Subroutine map_precursor\nC Subroutine update_precursor\nC Function findPrecursor\n\nC Revision History:\nC First version was coded in April 2010 by Steve Howard with\nC Prakash Bhave, Jeff Young, and Sergey Napelenok.\n\nC HS 03/10/11 Made OH a required species\nC -added OH to \"precursor\" array (set rxncounter to .FALSE.);\nC -added \"update\" column to precursor array to note which species\nC concentrations will be affected by aerosol routines\nC -added req_OH and OH_idx variables\nC -changed precursor_conc to Real(8)\n\nC H.Pye 05/22/11: added ALK5RXN to precursor list for SAPRC mechanisms\n \nC JY 06/08/12 remove full character blank padding put in for GNU Fortran (GCC) 4.1.2\nC H. Pye 09/2014: added alkane and PAH SOA precursor\n\nC D.Wong 02/01/19 added one more variable in the USE clause\nC-----------------------------------------------------------------------\n\n#ifdef sens\n USE DDM3D_DEFN, ONLY : NP, NPMAX\n Use aero_ddm3d, ONLY : init_aero_ddm3d, s_precursor_conc, ae_ddm3d_ready\n#endif \n\n Implicit None\n\n Integer, Parameter :: n_precursor = 24 ! # of precursors\n\n Type precursor_type\n Character( 16 ) :: name ! species name\n Logical :: rxncounter ! flag to reset counter species\n Logical :: update ! update precursor concentration\n ! in cgrid after aeroproc\n Logical :: required ! required for model run\n End Type precursor_type\n\n Type ( precursor_type ) :: precursor( n_precursor ) = (/\nC Name RxnCounter Update Required\nC --------- ---------- ------ ------\n & precursor_type( 'NO2 ', .False. , .True., .True. ),\n & precursor_type( 'N2O5 ', .False. , .True., .True. ),\n & precursor_type( 'HNO3 ', .False. , .True., .True. ),\n & precursor_type( 'HONO ', .False. , .True., .True. ),\n & precursor_type( 'ISOPRXN', .True. , .True., .False. ),\n & precursor_type( 'TRPRXN ', .True. , .True., .False. ),\n & precursor_type( 'SULF ', .False. , .True., .True. ),\n & precursor_type( 'SULPRD ', .True. , .True., .True. ),\n & precursor_type( 'HCL ', .False. , .True., .True. ),\n & precursor_type( 'ALK5RXN', .True. , .True., .False. ),\n & precursor_type( 'ALKRXN ', .True. , .True., .False. ),\n & precursor_type( 'TOLNRXN', .True. , .True., .False. ),\n & precursor_type( 'TOLHRXN', .True. , .True., .False. ),\n & precursor_type( 'XYLNRXN', .True. , .True., .False. ),\n & precursor_type( 'XYLHRXN', .True. , .True., .False. ),\n & precursor_type( 'BNZNRXN', .True. , .True., .False. ),\n & precursor_type( 'BNZHRXN', .True. , .True., .False. ),\n & precursor_type( 'SESQRXN', .True. , .True., .False. ),\n & precursor_type( 'NH3 ', .False. , .True., .True. ),\n & precursor_type( 'OH ', .False. , .False., .True. ),\n & precursor_type( 'PAHNRXN', .True. , .True., .False. ),\n & precursor_type( 'PAHHRXN', .True. , .True., .False. ),\n & precursor_type( 'PCSOARXN',.True. , .True., .False. ),\n & precursor_type( 'PHGRXN ', .True. , .True., .False. )/)\n\nC Required species\n Character( 16 ), Private, Parameter :: req_NO2 = 'NO2'\n Character( 16 ), Private, Parameter :: req_N2O5 = 'N2O5'\n Character( 16 ), Private, Parameter :: req_HNO3 = 'HNO3'\n Character( 16 ), Private, Parameter :: req_HONO = 'HONO'\n Character( 16 ), Private, Parameter :: req_SULF = 'SULF'\n Character( 16 ), Private, Parameter :: req_SULPRD = 'SULPRD'\n Character( 16 ), Private, Parameter :: req_HCL = 'HCL'\n Character( 16 ), Private, Parameter :: req_NH3 = 'NH3'\n Character( 16 ), Private, Parameter :: req_OH = 'OH'\n Character( 16 ), Private, Parameter :: req_PHGRXN = 'PHGRXN'\n\nC Indices of required species\n Integer :: NO2_idx\n Integer :: N2O5_idx\n Integer :: HNO3_idx\n Integer :: HONO_idx\n Integer :: SULF_idx\n Integer :: SULPRD_idx\n Integer :: HCL_idx\n Integer :: NH3_idx\n Integer :: OH_idx\n Integer :: PHGRXN_idx\n\n Real( 8 ) :: precursor_mw( n_precursor ) ! mol wt from cgrid_spcs [g/mol]\n\n Real( 8 ) :: precursor_conc( n_precursor ) ! precursor concentration [ug/m^3]\n\n Real :: so4rate ! sulfate gas-phase production rate [ug/m^3*s]\n Real :: phg_rate ! particulate mercury gas-phase production rate [ug/m^3*s]\n\nC Private variables for loading and unloading to CGRID array\n Integer :: precursor_map( n_precursor ) ! pointers to CGRID\n Logical, Private, Save :: mapped = .False.\n Logical, Private, Save :: Precursor_eflag = .False.\n\n Character( 16 ), Private, Save :: pname = 'precursor_data'\n\n Contains\n\nC-----------------------------------------------------------------------\n Subroutine map_precursor()\n\nC Defines mapping from CGRID for species concentration and moments.\n\nC Revision History:\nC First version was coded in April 2010 by Steve Howard with\nC Prakash Bhave, Jeff Young, and Sergey Napelenok.\n\nC HS 03/10/11 Changed vtmp to real(8)\nC SR 03/25/11 Replaced I/O API include files with UTILIO_DEFN\nC----------------------------------------------------------------------\n\n Use rxns_data, only: mechname\n Use aero_data, only: ae6hg, aphgj_idx\n Use cgrid_spcs, only: n_gc_g2ae, gc_g2ae, gc_g2ae_map, gc_molwt, gc_strt,\n & n_nr_n2ae, nr_n2ae, nr_n2ae_map, nr_molwt, nr_strt\n Use utilio_defn, only: index1, xstat3, m3warn, m3exit\n Use runtime_vars, only: logdev, LOG_MESSAGE\n\n Implicit None\n\nC Local Variables:\n Character( 180 ) :: xmsg\n Integer :: n\n Integer :: spc\n\nC If the species are mapped already, skip the mapping algorithm\n If ( mapped ) Return\n CALL LOG_MESSAGE( LOGDEV, 'Map SOA Precursors' )\n\nC Initialize Precursor Map Variables\n precursor_mw = 0.0d0\n precursor_map = 0\n\nC Build mapping to CGRID for each precursor species\n Do spc = 1, n_precursor\n n = index1( precursor( spc )%name, n_gc_g2ae, gc_g2ae )\n If ( n .Ne. 0 ) Then\n precursor_mw( spc ) = real( gc_molwt( gc_g2ae_map( n ) ), 8 )\n precursor_map( spc ) = gc_strt - 1 + gc_g2ae_map( n )\n Else\n n = index1( precursor( spc )%name, n_nr_n2ae, nr_n2ae )\n If ( n .Ne. 0 ) Then\n precursor_mw( spc ) = real( nr_molwt( nr_n2ae_map( n ) ), 8 )\n precursor_map( spc ) = nr_strt - 1 + nr_n2ae_map( n )\n Else\n If ( precursor( spc )%required ) Then\n Precursor_eflag = .True.\n xmsg = 'FATAL: Simulation requires a species in GC or NR namelist ' //\n & 'to have its G2AE or N2AE value set to ' // Trim( precursor( spc )%name )\n Call m3warn( 'map_precursor', 0, 0, xmsg )\n Else\n write(logdev,99902)Trim( precursor( spc )%name )\n End If \n End If\n End If\n End Do\n\nC Find indices of required species\n NO2_idx = findPrecursor( req_NO2, .true.)\n N2O5_idx = findPrecursor( req_N2O5, .true.)\n HNO3_idx = findPrecursor( req_HNO3, .true.)\n HONO_idx = findPrecursor( req_HONO, .true.)\n SULF_idx = findPrecursor( req_SULF, .true.)\n SULPRD_idx = findPrecursor( req_SULPRD, .true.)\n HCL_idx = findPrecursor( req_HCL, .true.)\n NH3_idx = findPrecursor( req_NH3, .true.)\n OH_idx = findPrecursor( req_OH, .true.)\n If( ae6hg )then\n PHGRXN_idx = findPrecursor( req_phgrxn, .false.)\n If( precursor_map( PHGRXN_idx ) .Lt. 1 )Then\n xmsg = ' Gas Phase Precursor ' // Trim( req_PHGRXN )\n & // ' not found -> NO gas production of APHG species'\n Call m3warn( 'map_precursor', 0, 0, xmsg )\n End If \n#ifdef verbose_aero\n Else \n xmsg = ' NO particulate mercury in model.'\n Call m3warn( 'map_precursor', 0, 0, xmsg )\n PHGRXN_idx = 0\n#endif\n end if\n\n#ifdef verbose_aero\n Write( logdev,'( /5x, a )' ) 'map_precursor required species'\n Write( logdev,'( 5x, a, i4 )' ) 'NO2_idx: ', NO2_idx\n Write( logdev,'( 5x, a, i4 )' ) 'N2O5_idx: ', N2O5_idx\n Write( logdev,'( 5x, a, i4 )' ) 'HNO3_idx: ', HNO3_idx\n Write( logdev,'( 5x, a, i4 )' ) 'HONO_idx: ', HONO_idx\n Write( logdev,'( 5x, a, i4 )' ) 'SULF_idx: ', SULF_idx\n Write( logdev,'( 5x, a, i4 )' ) 'SULPRD_idx: ', SULPRD_idx\n Write( logdev,'( 5x, a, i4 )' ) 'HCL_idx: ', HCL_idx\n Write( logdev,'( 5x, a, i4 )' ) 'NH3_idx: ', NH3_idx\n Write( logdev,'( 5x, a, i4 )' ) 'OH_idx: ', OH_idx\n if( aphgj_idx .gt. 0 )then\n Write( logdev,'( 5x, a, i4 )' ) 'PHGRXN_idx: ', PHGRXN_idx\n end if\n#endif\n\n If( Precursor_eflag )Then\n Write(logdev,99901) Trim( mechname )\n xmsg = 'The FATAL errors found in namelist used. Check '\n & // 'the log of exiting processor if more details are needed.'\n Call m3exit( pname, 0, 0, xmsg, xstat3 )\n End If \n\n mapped = .True.\n\n#ifdef sens\n Allocate ( s_precursor_conc( n_precursor,npmax ) )\n#endif\n\n99901 Format( 'FATAL error(s) found in the GC and/or NR namelists used. Check that '\n & / 'these namelists contain the above required data as the respective files '\n & / 'in the repository version of the mechanism: ' , a )\n99902 Format( 5x,'Note: Optional species ', a, ' is not found in G2AE or N2AE values of',\n & / 7x,'the GC or NR namelist. Simulation will ignore this species.' )\n\n Return\n End Subroutine map_precursor\n\nC-----------------------------------------------------------------------\n#ifdef sens\n Subroutine extract_precursor( conc,s_conc )\n#else\n Subroutine extract_precursor( conc )\n#endif\n\nC Extracts the required precursor data from CGRID into conc.\n\nC Revision History:\nC First version was coded in April 2010 by Steve Howard with\nC Prakash Bhave, Jeff Young, and Sergey Napelenok.\n\nC SH 03/10/11 Renamed met_data to aeromet_data\nC HS 03/10/11 Changed vtmp and gasconv to real(8)\nC-----------------------------------------------------------------------\n\n Use aeromet_data, only: airdens, inv_mwair, min_gasconc\n\n Implicit None\n\nC Arguments:\n Real, Intent( In ) :: conc( : )\n#ifdef sens\n Real, Intent( In ) :: s_conc( :,: )\n#endif\n\nC Local Variables:\n Real( 8 ) :: gasconv ! converts from [ppm] to [ug/m^3]\n Real( 8 ) :: vtmp\n Integer :: n\n Integer :: spc\n\n#ifdef sens\n If ( .Not. ae_ddm3d_ready ) Then\n Call init_aero_ddm3d()\n End If\n#endif\n\n Call map_precursor()\n\nC Compute gas conversion constant\n gasconv = Real( airdens * inv_mwair, 8 )\n\nC Copy grid cell concentrations of precursor species\n precursor_conc = 0.0d0\n#ifdef sens\n s_precursor_conc = 0.0D0\n#endif\n\n Do spc = 1, n_precursor\n n = precursor_map( spc )\n If ( n .Ne. 0 ) Then\n vtmp = gasconv * precursor_mw( spc )\n precursor_conc( spc ) = Max( Real( conc( n ), 8) * vtmp, Real( min_gasconc, 8) )\n#ifdef sens \n Do np = 1, npmax\n If ( precursor_conc( spc ) .Eq. min_gasconc ) Then\n s_precursor_conc( spc,np ) = 0.0D0\n Else\n s_precursor_conc( spc,np ) = vtmp * Real( s_conc( np,n ), 8 )\n End If\n End Do\n#endif\n End If\n End Do\n\n Return\n End Subroutine extract_precursor\n\nC------------------------------------------------------------------------\n#ifdef sens\n Subroutine update_precursor( conc, s_conc )\n#else\n Subroutine update_precursor( conc )\n#endif\n\nC Updates CGRID aerosol precursor values from the conc array.\n\nC Revision History:\nC First version was coded in April 2010 by Steve Howard with\nC Prakash Bhave, Jeff Young, and Sergey Napelenok.\n\nC SH 03/10/11 Renamed met_data to aeromet_data\nC HS 03/10/11 Only update conc for species with \"update\" = .TRUE.;\nC -changed vtmp and gasconv to real(8)\nC SR 03/25/11 Replaced I/O API include files with UTILIO_DEFN\nC-----------------------------------------------------------------------\n\n Use aeromet_data, only: airdens, inv_mwair, min_gasconc\n Use utilio_defn, only: xstat3, m3exit\n Use aero_data, only : COND_BUDGET, COAG_BUDGET, NPF_BUDGET, GROWTH_BUDGET\n\n Implicit None\n\nC arguments:\n Real, Intent( Out ) :: conc( : )\n#ifdef sens\n Real, Intent( Out ) :: s_conc( :,: )\n#endif\n\nC local variables:\n Character( 80 ) :: xmsg\n Real( 8 ) :: gasconv ! converts from [ppm] to [ug/m^3]\n Real( 8 ) :: vtmp\n Integer :: n\n Integer :: spc\n\n If ( .Not. mapped ) Then\n xmsg = 'CGRID Species has not been mapped'\n Call m3exit( 'update_precursor', 0, 0, xmsg, xstat3 )\n End If\n\nC compute gas conversion constant\n gasconv = Real( airdens * inv_mwair, 8 )\n\nC copy precursor_conc back to grid cell concentrations\n Do spc = 1, n_precursor\n n = precursor_map( spc )\n If ( n .Ne. 0 ) Then\n If ( precursor( spc )%update ) Then\n If ( precursor( spc )%rxncounter ) Then\n vtmp = precursor_mw( spc ) * gasconv\n conc( n ) = Max( real( precursor_conc( spc ) / vtmp, 4 ), min_gasconc )\n COND_BUDGET( n ) = -1.0 * conc( n ) \n conc( n ) = 0.0\n#ifdef sens\n do np = 1, npmax\n s_conc( np,n ) = 0.0\n end do\n#endif\n Else\n vtmp = precursor_mw( spc ) * gasconv\n conc( n ) = Max( real( precursor_conc( spc ) / vtmp, 4 ), min_gasconc )\n \n ! Convert Budget Process Numbers from ug m-3 to ppmv\n ! for application to process analysis and ISAM\n COND_BUDGET( n ) = COND_BUDGET( n ) / vtmp\n NPF_BUDGET( n ) = NPF_BUDGET( n ) / vtmp\n#ifdef sens\n do np = 1, npmax\n If ( conc( n ) .Eq. min_gasconc ) Then\n s_conc( np,n ) = 0.0\n Else\n s_conc( np,n ) = Real( (s_precursor_conc( spc,np )/vtmp), 4 )\n End If\n end do\n#endif \n End If\n End If\n End If\n End Do\n\n Return\n End Subroutine update_precursor\n\nC-----------------------------------------------------------------------\n Function findPrecursor( vname, required ) Result ( ndx )\n\nC Finds the index of 'required' aerosol species in the precursor list\n\nC Revision History:\nC First version was coded in April 2010 by Steve Howard with\nC Prakash Bhave, Jeff Young, and Sergey Napelenok.\nC\nC SR 03/25/11 Replaced I/O API include files with UTILIO_DEFN\nC-----------------------------------------------------------------------\n\n use utilio_defn\n\n Implicit None\n\nC Arguments:\n Character( * ) :: vname\n Logical :: required\n \n Integer ndx\n\nC Local Variables:\n Integer :: spc\n Character( 80 ) :: xmsg\n\n ndx = 0\n \n Do spc = 1, n_precursor\n If ( Index( precursor( spc )%name, trim(vname) ) .Gt. 0 ) Then\n ndx = spc\n Return\n End If\n End Do\n\n xmsg = 'FATAL: ' // Trim( vname )\n & // ' is not found in the G2AE or N2AE values of GC or NR namelists'\n Precursor_eflag = .True.\n Call m3warn( pname, 0, 0, xmsg )\n\n Return\n End Function findPrecursor\n\n End Module precursor_data\n" }, { "path": "CCTM/src/aero/aero6/README.md", "content": "CMAQv5.2 Aerosol Processing Module (Aero6)\n==========================================\n\nAerosol calculations the CMAQ aero6 module account for several relevant microphysical processes: emission, condensation, evaporation, coagulation, new particle formation, and chemistry. The size distribution of particles is conceptualized in this module as the sum of three log-normal modes: Aitken, Accumulation and Coarse. The magnitude and shape of these modes are predicted in time by tracking the magnitude of three moments: 0th (equivalent to number), 2nd (proportional to surface area) and 3rd (proportional to volume or mass).\n\nBrief Summary on Inorganic chemistry\n\nBrief Summary on Organic Chemistry\n\nBrief Summary on Sea Salt Emissions\n\nBrief Summary on Dust Emissions\n\nBrief Summary on coagulation\n\nBrief Summary on New particle Formation\n\n-----\n# CMAQv5.2 Aerosol Module Release Notes\n\nThe aerosol processing module in CMAQv5.2 includes several important revisions over CMAQv5.1, most noticeably to the representation of dust and organic aerosol (OA). \n\n * [Aerosol Transmission Factors](../../docs/Release_Notes/Aerosol_Transmission_Factors.md)\n * [Update of Gas-Phase Deposition Rates](../../docs/Release_Notes/Gas-Phase_Dep_H2O2_HACET_OrgNtr_s07tic_Species.md)\n\n" }, { "path": "CCTM/src/aero/aero6/SOA_DEFN.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n Module soa_defn\n\nC Defines aerosol species arrays and parameters required in SOA processing.\n\nC Contains:\nC Subroutine extract_soa\nC Subroutine update_orgvapor\nC Function findVapor\nC Function findOrgprod\nC Subroutine orgaer\n\nC Revision History:\nC First version was coded in April 2010 by Steve Howard with\nC Prakash Bhave, Jeff Young, and Sergey Napelenok.\nC\nC HP 03/11/11 Updated monoterpene SOA alphas and Cstars to Carlton et al. 2010 values\nC HP 07/24/11 Changed aromatic SOA alphas for consistency with updated reaction counters\nC BNZ, TOL, XYL numbers now match Ng et al. 2007 Atmos. Chem. Phys.\nC 08 Jun 12 J.Young: remove full character blank padding for GNU Fortran (GCC) 4.1.2\nC 13 Aug 13 H. Pye: Xylene and toluene low-NOx yields switched. Values now\nC follow experimental data of Ng et al. 2007 ACP as shown in Table 3.\nC Values in Table 6 of Ng et al. (previously used) are incorrect.\nC 18 Dec 13 G.Sarwar: added orgprod parent names based on RACM2\nC 07 Jul 14 B.Hutzell: replaced mechanism include file(s) with fortran module\nC 21 Jul 14 B.Hutzell: used ifdef statement to make oligomerization\nC optional because process represented in chemical\nC mechanism\nC 26 Sep 14 H. Pye: Added isoprene + NO3 SOA (see mech.def, no changes\nC here). When IEPOX uptake present in gas phase for\nC cb05e51, replace preivous acid enhanced isoprene SOA\nC with IEPOX uptake SOA now handled as a heterogeneous\nC rxn. For saprc07tic_ae6i, perform more detailed\nC IEPOX and MAE uptake and do not do Carlton et al. 2010\nC acid enhancement. Note that saprc07tic_ae6i is a research\nC version and it is unclear how duplicative AISO1+AISO2+their oligomers\nC are with IEPOX+MAE uptake and their oligomers.\nC Both pathways occur with sarpc07tic_ae6i. To turn AISO1+AISO2\nC oligomers off, set \"Decay\" in oaspc to 0.0 for SV_ISO1/2.\nC 27 Sep 14 H. Pye: Added alkane and PAH SOA (Pye and Pouliot 2012 ES&T)\nC 15 Jul 15 G. Sarwar: updated SOA from alkane, PAH, and isoprene for RACM2\nC 03/03/16 D. Luecken: added capability for CB6\nC 24 Mar 16 G. Sarwar: updated for CB05EH51\nC May 16 B. Murphy, H. Pye: updated treatment of aerosol moments\nC Jan 18 H. Pye: updated monoterpene photoxidation SOA: Xu et al. 2018 ACPD\nC AMT1-7 will replace ATRP1-2 when fully implemented\nC across mechanisms. \nC Aug 18 M. Qin, H. Pye: Removed oligomerization option here. Oligomerization\nC must be done in gas chemistry (mech.def). Added anthropogenic\nC SOA condensation for aero7.\nC 29 Aug 18 G. Sarwar: updated for CB6R3M\nC 17 Jan 20 B.Hutzell -Added algorithm to handle tracer species and\nC -added benzo[a]pyrene to oa_list. Its cstar is based\nC on the subcooled vapor pressure in Lei et. al (2002)\nC 15 Sep 23 G. Sarwar: updated for CRACMM2\nC 28 Nov 23 N. Skipper: added new species for CRACMM2\nC-----------------------------------------------------------------------\n#ifdef sens\n USE DDM3D_DEFN, ONLY : NP, NPMAX\n Use aero_ddm3d, ONLY : init_aero_ddm3d, ae_ddm3d_ready, og_sens, rog_dsens\n#endif \n Implicit None\n\n ! Define Logical values as T and F for the OA table\n Logical, Parameter, Private :: T = .true.\n Logical, Parameter, Private :: F = .false.\n\n Integer, Parameter :: n_oa_list = 85 ! # of potential partitioning SVOCs\n Integer, Save :: n_oa ! Total # of simulated SOA vapors\n Integer, Save :: n_oa_NotTracers ! # of simulated SOA vapors that are not tracers\n Integer, Save :: n_oa_tracers ! # of simulated SOA vapors that are tracers\n\n Type oa_type\n Character( 16 ) :: name ! Organic Aerosol Species Name\n Character( 16 ) :: gas_name ! Condensable Vapor Species Name\n Character( 16 ) :: ctr_name ! Reaction Counter Name\n Real :: alpha ! Mass-based stoichiometric coefficients [ug/m^3]/[ug/m^3]\n Real :: cstar ! Effective saturation concentrations [ug/m^3] at 298 K\n Real :: enth ! Enthalphy of Vaporization [J/mol]\n Real :: otoc ! O:C - Ratio of Oxygen and to Carbon\n Real :: OMtoOC ! OM:OC - Ratio of Total Organic Mass to Organic Carbon Mass\n Logical :: primary ! Flag identifying primary species\n Logical :: anthro ! Flag identifying anthropogenic species\n Logical :: biog ! Flag identifying biogenic species\n Logical :: nonvol ! Flag identifying nonvolatile species\n End Type oa_type\n\n Type( oa_type ), Allocatable, Save :: oaspc( : )\n\n Type( oa_type ), Save :: oa_list( n_oa_list ) = (/\n ! ANTHROPOGENIC\n ! | BIOGENIC\n ! PM Vapor Rxn Cntr Alpha CStar^ Enth- O:C OM:OC | | Nonvol- \n ! Name Name Name* alpy POA | | atile \n ! ---------- ---------- ---------- ------ -------- ------- --- ----- --- --- --- --- \n & oa_type('AALK1 ', 'SVALK1 ', 'ALKRXN ', 0.0334, 0.1472, 53.0E3, .315,1.56, F, T, F, F ),\n & oa_type('AALK2 ', 'SVALK2 ', 'ALKRXN ', 0.2164, 51.8775, 53.0E3, .203,1.42, F, T, F, F ),\n & oa_type('AXYL1 ', 'SVXYL1 ', 'XYLNRXN ', 0.0310, 1.3140, 32.0E3,1.002,2.42, F, T, F, F ),\n & oa_type('AXYL2 ', 'SVXYL2 ', 'XYLNRXN ', 0.0900, 34.4830, 32.0E3, .611,1.93, F, T, F, F ),\n & oa_type('ATOL1 ', 'SVTOL1 ', 'TOLNRXN ', 0.0580, 2.3260, 18.0E3, .875,2.26, F, T, F, F ),\n & oa_type('ATOL2 ', 'SVTOL2 ', 'TOLNRXN ', 0.1130, 21.2770, 18.0E3, .523,1.82, F, T, F, F ),\n & oa_type('ABNZ1 ', 'SVBNZ1 ', 'BNZNRXN ', 0.0720, 0.3020, 18.0E3,1.211,2.68, F, T, F, F ),\n & oa_type('ABNZ2 ', 'SVBNZ2 ', 'BNZNRXN ', 0.8880, 111.1100, 18.0E3, .851,2.23, F, T, F, F ),\n & oa_type('APAH1 ', 'SVPAH1 ', 'PAHNRXN ', 0.2100, 1.6598, 18.0E3, .371,1.63, F, T, F, F ),\n & oa_type('APAH2 ', 'SVPAH2 ', 'PAHNRXN ', 1.0700, 264.6675, 18.0E3, .259,1.49, F, T, F, F ),\n & oa_type('ATRP1 ', 'SVTRP1 ', 'TRPRXN ', 0.1393, 14.7920, 40.0E3, .539,1.84, F, F, T, F ),\n & oa_type('ATRP2 ', 'SVTRP2 ', 'TRPRXN ', 0.4542, 133.7297, 40.0E3, .531,1.83, F, F, T, F ),\n & oa_type('AMT1 ', 'SVMT1 ', 'TRPRXN ', 0.040, 0.010, 102.0E3, .400,1.67, F, F, T, F ),\n & oa_type('AMT2 ', 'SVMT2 ', 'TRPRXN ', 0.032, 0.100, 91.0E3, .400,1.67, F, F, T, F ),\n & oa_type('AMT3 ', 'SVMT3 ', 'TRPRXN ', 0.032, 1.000, 80.0E3, .444,1.72, F, F, T, F ),\n & oa_type('AMT4 ', 'SVMT4 ', 'TRPRXN ', 0.103, 10.000, 69.0E3, .300,1.53, F, F, T, F ),\n & oa_type('AMT5 ', 'SVMT5 ', 'TRPRXN ', 0.143, 100.000, 58.0E3, .333,1.57, F, F, T, F ),\n & oa_type('AMT6 ', 'SVMT6 ', 'TRPRXN ', 0.285, 1000.000, 47.0E3, .200,1.40, F, F, T, F ),\n & oa_type('AMT7 ', 'SVMT7 ', 'TRPRXN ', 0.160,10000.000, 36.0E3, .222,1.43, F, F, T, F ),\n & oa_type('AHOM ', 'HOM ', ' ', 0.0, 6.3E-03, 130.0E3, .700,2.08, F, F, T, F ),\n & oa_type('AELHOM ', 'ELHOM ', ' ', 0.0, 1.0E-05, 160.0E3, .400,1.67, F, F, T, F ),\n & oa_type('AMTNO3 ', 'MTNO3 ', ' ', 0.0, 12.0, 40.0E3, .587,1.90, F, F, T, F ),\n & oa_type('AISOPNN', 'ISOPNN ', ' ', 0.0, 8.9, 40.0E3,2.107,3.80, F, F, T, F ),\n & oa_type('AMTHYD ', ' ', ' ', 0.0, 1.E-10, 1.0E0, .299,1.54, F, F, T, T ),\n & oa_type('AIETET ', ' ', ' ', 0.0, 1.E-10, 1.0E0, .883,2.27, F, F, T, T ),\n & oa_type('AIEOS ', ' ', ' ', 0.0, 1.E-10, 1.0E0,1.947,3.60, F, F, T, T ),\n & oa_type('ADIM ', ' ', ' ', 0.0, 1.E-10, 1.0E0, .723,2.07, F, F, T, T ),\n & oa_type('AIMGA ', ' ', ' ', 0.0, 1.E-10, 1.0E0,1.067,2.50, F, F, T, T ),\n & oa_type('AIMOS ', ' ', ' ', 0.0, 1.E-10, 1.0E0,2.403,4.17, F, F, T, T ),\n & oa_type('AISO3NOS',' ',' ', 0.0, 1.e-10, 1.0E0, 0.8,2.27, F, F, T, T ),\n & oa_type('AISO3OS ',' ',' ', 0.0, 1.e-10, 1.0E0, 1.4,3.60, F, F, T, T ),\n & oa_type('AISO1 ', 'SVISO1 ', 'ISOPRXN ', 0.2320, 116.0100, 40.0E3, .827,2.20, F, F, T, F ),\n & oa_type('AISO2 ', 'SVISO2 ', 'ISOPRXN ', 0.0288, 0.6170, 40.0E3, .851,2.23, F, F, T, F ),\n & oa_type('AISO3 ', ' ', ' ', 0.0, 1.e-10, 1.0E0,1.307,2.80, F, F, T, T ),\n & oa_type('ASQT ', 'SVSQT ', 'SESQRXN ', 1.5370, 24.9840, 40.0E3, .283,1.52, F, F, T, F ),\n & oa_type('AGLY ', ' ', ' ', 0.0, 1.E-10, 1.0E0, .771,2.13, F, F, F, T ),\n & oa_type('AORGC ', ' ', ' ', 0.0, 1.E-10, 1.0E0, .667,2.00, F, F, F, T ),\n & oa_type('AXYL3 ', ' ', 'XYLHRXN ', 0.3600, 1.e-10, 1.0E0, .907,2.30, F, T, F, T ),\n & oa_type('ATOL3 ', ' ', 'TOLHRXN ', 0.3000, 1.e-10, 1.0E0,1.227,2.70, F, T, F, T ),\n & oa_type('ABNZ3 ', ' ', 'BNZHRXN ', 0.3700, 1.e-10, 1.0E0,1.467,3.00, F, T, F, T ),\n & oa_type('APAH3 ', ' ', 'PAHHRXN ', 0.7300, 1.e-10, 1.0E0, .483,1.77, F, T, F, T ),\n & oa_type('APOC ', ' ', ' ', 0.0 , 1.e-10, 1.0E0, .000,1.00, T, T, F, T ),\n & oa_type('APNCOM ', ' ', ' ', 0.0 , 1.e-10, 1.0E0, -1.0,-1.0, T, T, F, T ),\n & oa_type('APCSO ', 'LVPCSOG ', 'PCSOARXN', 1.0 , 1.e-05, 40.0E3, .667,2.00, F, T, F, F ),\n & oa_type('ALVPO1 ', 'VLVPO1 ', ' ', 0.0000, 1.e-1, 96.0E3, .185,1.39, T, T, F, F ),\n & oa_type('ASVPO1 ', 'VSVPO1 ', ' ', 0.0000, 1.e+0, 85.0E3, .123,1.32, T, T, F, F ),\n & oa_type('ASVPO2 ', 'VSVPO2 ', ' ', 0.0000, 1.e+1, 74.0E3, .073,1.26, T, T, F, F ),\n & oa_type('ASVPO3 ', 'VSVPO3 ', ' ', 0.0000, 1.e+2, 63.0E3, .032,1.21, T, T, F, F ),\n & oa_type('AIVPO1 ', 'VIVPO1 ', ' ', 0.0000, 1.e+3, 52.0E3, .000,1.17, T, T, F, F ),\n & oa_type('ALVOO1 ', 'VLVOO1 ', ' ', 0.0000, 1.e-2, 107.0E3, .886,2.27, F, T, F, F ),\n & oa_type('ALVOO2 ', 'VLVOO2 ', ' ', 0.0000, 1.e-1, 96.0E3, .711,2.06, F, T, F, F ),\n & oa_type('ASVOO1 ', 'VSVOO1 ', ' ', 0.0000, 1.e+0, 85.0E3, .567,1.88, F, T, F, F ),\n & oa_type('ASVOO2 ', 'VSVOO2 ', ' ', 0.0000, 1.e+1, 74.0E3, .447,1.73, F, T, F, F ),\n & oa_type('ASVOO3 ', 'VSVOO3 ', ' ', 0.0000, 1.e+2, 63.0E3, .345,1.60, F, T, F, F ),\n & oa_type('AAVB1 ', 'SVAVB1 ', ' ', 0.0000, 0.010, 18.0E3,1.227,2.70, F, T, F, F ),\n & oa_type('AAVB2 ', 'SVAVB2 ', ' ', 0.0000, 1.000, 18.0E3, .947,2.35, F, T, F, F ),\n & oa_type('AAVB3 ', 'SVAVB3 ', ' ', 0.0000, 10.000, 18.0E3, .803,2.17, F, T, F, F ),\n & oa_type('AAVB4 ', 'SVAVB4 ', ' ', 0.0000, 100.000, 18.0E3, .659,1.99, F, T, F, F ),\n & oa_type('AOLGA ', ' ', ' ', 0.0000, 1.e-10, 1.0E0,1.067,2.50, F, T, F, T ),\n & oa_type('AOLGB ', ' ', ' ', 0.0000, 1.e-10, 1.0E0, .747,2.10, F, F, T, T ),\n & oa_type('AOP3 ', 'OP3 ', ' ', 0.0000, 1.e+1, 81.0E3, .600,1.92, F, T, F, F ),\n & oa_type('ASOAT ', ' ', ' ', 0.0000, 1.0E-10, 1.0E0,0.857,2.31, F, T, F, T ),\n & oa_type('AROCN2ALK','VROCN2ALK',' ', 0.0000, 1.e-2, 104.0E3, .000,1.39, T, T, F, F ),\n & oa_type('AROCN1ALK','VROCN1ALK',' ', 0.0000, 1.e-1, 96.0E3, .000,1.32, T, T, F, F ),\n & oa_type('AROCP0ALK','VROCP0ALK',' ', 0.0000, 1.e+0, 85.0E3, .000,1.17, T, T, F, F ),\n & oa_type('AROCP1ALK','VROCP1ALK',' ', 0.0000, 1.e+1, 81.0E3, .000,1.17, T, T, F, F ),\n & oa_type('AROCP2ALK','VROCP2ALK',' ', 0.0000, 1.e+2, 77.0E3, .000,1.17, T, T, F, F ),\n & oa_type('AROCP3ALK','VROCP3ALK',' ', 0.0000, 1.e+3, 73.0E3, .000,1.17, T, T, F, F ),\n & oa_type('AROCN2OXY2','VROCN2OXY2',' ',0.0000, 1.e-2, 93.0E3, .200,1.42, F, T, F, F ),\n & oa_type('AROCN2OXY4','VROCN2OXY4',' ',0.0000, 1.e-2, 93.0E3, .400,1.67, F, T, F, F ),\n & oa_type('AROCN2OXY8','VROCN2OXY8',' ',0.0000, 1.e-2, 93.0E3, .800,2.17, F, T, F, F ),\n & oa_type('AROCN1OXY1','VROCN1OXY1',' ',0.0000, 1.e-1, 89.0E3, .100,1.29, F, T, F, F ),\n & oa_type('AROCN1OXY3','VROCN1OXY3',' ',0.0000, 1.e-1, 89.0E3, .300,1.54, F, T, F, F ),\n & oa_type('AROCN1OXY6','VROCN1OXY6',' ',0.0000, 1.e-1, 89.0E3, .600,1.92, F, T, F, F ),\n & oa_type('AROCP0OXY2','VROCP0OXY2',' ',0.0000, 1.e+0, 85.0E3, .200,1.42, F, T, F, F ),\n & oa_type('AROCP0OXY4','VROCP0OXY4',' ',0.0000, 1.e+0, 85.0E3, .400,1.67, F, T, F, F ),\n & oa_type('AROCP1OXY1','VROCP1OXY1',' ',0.0000, 1.e+1, 81.0E3, .100,1.29, F, T, F, F ),\n & oa_type('AROCP1OXY3','VROCP1OXY3',' ',0.0000, 1.e+1, 81.0E3, .300,1.54, F, T, F, F ),\n & oa_type('AROCP2OXY2','VROCP2OXY2',' ',0.0000, 1.e+2, 77.0E3, .200,1.42, F, T, F, F ),\n & oa_type('AROCP3OXY2','VROCP3OXY2',' ',0.0000, 1.e+3, 73.0E3, .200,1.42, F, T, F, F ),\n & oa_type('ABENAPY', 'BENAPY ', ' ', 0.0000, 0.0396, 105.0E3, .000,1.00, F, T, F, F ),\n & oa_type('AISO4 ',' ',' ', 0.0, 1.e-10, 1.0E0, 1.2,2.80, F, F, T, T ),\n & oa_type('AISO5 ',' ',' ', 0.0, 1.e-10, 1.0E0, 1.0,2.50, F, F, T, T ),\n & oa_type('ATRPN ','TRPN ',' ', 0.0, 1410.0, 89.1E3, .400,1.79, F, F, T, F ),\n & oa_type('AHONIT ','HONIT ',' ', 0.0, 0.0413, 121.0E3, .700,2.21, F, F, T, F ) /)\n ! Table Comments:\n ! *Reaction Counters are only needed if the vapor species is not formed\n ! directly in the gas-phase chemistry mechanism.\n ! ^Nonvolatile species are given a default C* of 1e-10 ug/m3 and\n ! enthalpy of vaporization equal to 1 kJ/mol.\n ! Cstar for BENAPY or benzo[a]pyrene was based on the DMSO partitioning\n ! coefficient in Shrivastave et al. (2017) PNAS, vol 114, 1246-1251. All\n ! OA corresponds to DMSO but its density corresponds to average density\n ! of CMAQ OA, 1.4 g/cm3\n\n ! Identify Species Required for Isoprene and Monoterpene Chemistry\n Character( 16 ), Private, Parameter :: req_sviso1 = 'SVISO1'\n Character( 16 ), Private, Parameter :: req_sviso2 = 'SVISO2'\n Character( 16 ), Private, Parameter :: req_aeiso1 = 'AISO1'\n Character( 16 ), Private, Parameter :: req_aeiso2 = 'AISO2'\n Character( 16 ), Private, Parameter :: req_aeiso3 = 'AISO3'\n Character( 16 ), Private, Parameter :: req_aeorgc = 'AORGC'\n\n ! Variables for Carrying Indices of required species\n Integer :: iso1_idx\n Integer :: iso2_idx\n Integer :: aiso1_idx\n Integer :: aiso2_idx\n Integer :: aiso3_idx\n Integer :: aorgc_idx\n\n ! Variables for saving properties and concentrations of organic\n ! compounds\n ! Molecular Weights\n Real, Allocatable :: op_mw ( : ) ! PM species\n Real, Allocatable :: og_mw ( : ) ! Vapor Species\n Real, Allocatable :: rog_mw ( : ) ! Precursor Species\n ! that are linked to yields\n ! Concentrations\n Real, Allocatable :: og_conc ( : ) ! Vapors\n Real, Allocatable :: rog_dconc( : ) ! Reaction counters\n\n ! Variables for mapping OA to aerosol and CGRID arrays\n Integer, Allocatable :: map_OAtoAERO( : ) ! organic aerosol pointers to aerospc\n Integer, Allocatable :: map_OGtoCGRID( : ) ! pointers of vapor species to CGRID\n Integer, Allocatable :: map_ROGtoCGRID( : ) ! pointers of SOA parent species to CGRID\n Logical, Allocatable :: lnonvol_oa( : ) ! flag identifying non-volatile OA species \n ! in aerosol array that are not tracers\n Logical, Allocatable :: l_oa( : ) ! flag identifying OA species \n ! that are not tracers\n ! Variables for controlling behavior of OA module\n Logical, Private, Save :: mapped = .False.\n Logical, Private, Save :: RXNS_eflag = .False. ! error flag for RXNS modules used\n Logical, Private, Save :: OA_eflag = .False. ! error flag for soa_defn\n Character( 16 ), Private, Save :: pname = 'SOA_DEFN '\n\n Contains\n\nC-----------------------------------------------------------------------\n#ifdef sens\n Subroutine extract_soa( conc, s_conc, schk )\n#else\n Subroutine extract_soa( conc )\n#endif\n\nC Extracts the required soa data from CGRID into the conc array.\n\nC Revision History:\nC First version was coded in April 2010 by Steve Howard with\nC Prakash Bhave, Jeff Young, and Sergey Napelenok.\nC\nC SH 03/10/11 Renamed met_data to aeromet_data\nC SR 03/25/11 Replaced I/O API include files with UTILIO_DEFN\nC HP 09/27/14 alk_factor removed, updated for alkane/PAH SOA.\nC Conversion of reacted alkane to dodecane equivalent\nC is handled in mech.def. A factor of 0.47 is in use and\nC reflects the fact that alkane SOA precursor\nC emissions are dominated by compounds smaller than dodecane.\nC BM 02/19/19 Major Revision to simplify the mapping procedure and\nC remove redundat variables.\nC-----------------------------------------------------------------------\n\n Use rxns_data, only: mechname\n Use aero_data, only: AE_eflag, findAero, aerospc_mw, n_aerospc, aerospc\n Use aeromet_data, only: airdens, inv_mwair, min_gasconc\n Use cgrid_spcs, only: n_gc_spc, gc_spc, n_gc_g2ae, gc_g2ae, gc_strt, gc_molwt, gc_g2ae_map, \n & n_nr_spc, nr_spc, n_nr_n2ae, nr_n2ae, nr_strt, nr_molwt, nr_n2ae_map,\n & n_ae_spc, ae_spc\n Use runtime_vars, only: logdev\n Use utilio_defn, only: index1, xstat3\n\n Implicit None\n\n ! Arguments:\n Real, Intent( In ) :: conc( : )\n#ifdef sens\n Real, Intent( In ) :: s_conc( :,: )\n Logical, Intent( In ) :: schk ! necessary because some routines don't require sensitivity updates\n#endif\n\n\n ! Local Variables:\n Character( 300 ):: xmsg\n Real :: gasconv\n Real :: vtmp\n Integer :: n, a, g\n Integer :: spc\n Integer :: map_OAtoOAlist( 200 )\n\n ! Map All OA Species and Load Properties\n If ( .Not. mapped ) Then\n mapped = .TRUE.\n\n ! First, the number and names of present and nontracer OA species must be\n ! determined by checking the AEROSOL Table with the species names\n ! available from the OA_LIST table. \n n_oa = 0\n Do spc = 1,n_oa_list\n n = findAero( oa_list( spc )%name, .False. )\n If ( n .Gt. 0 ) Then\n If ( aerospc( n )%om .And. .Not. aerospc( n )%tracer ) Then\n n_oa = n_oa + 1\n map_OAtoOAlist( n_oa ) = spc\n End If\n End If\n End Do\n\n ! Place tracers at the end of the list map\n n_oa_tracers = 0\n Do spc = 1,n_oa_list\n n = findAero( oa_list( spc )%name, .False. )\n If ( n .Gt. 0 ) Then\n If ( aerospc( n )%om .And. aerospc( n )%tracer ) Then\n n_oa = n_oa + 1\n n_oa_tracers = n_oa_tracers + 1\n map_OAtoOAlist( n_oa ) = spc\n End If\n End If\n End Do\n \n If ( n_oa .Eq. n_oa_tracers ) Then\n OA_eflag = .True.\n xmsg = 'FATAL: All SOA species are tracers at least '\n & // 'one SOA species must not be a tracer.'\n write(logdev,'(a)')Trim( xmsg ) \n End If\n \n n_oa_NotTracers = n_oa - n_oa_tracers\n\n ! Allocate the OA property and mapping variables now that the\n ! number of active OA species has been determined.\n Allocate ( oaspc ( n_oa ))\n Allocate ( op_mw ( n_oa ))\n Allocate ( og_mw ( n_oa ))\n Allocate ( rog_mw ( n_oa ))\n Allocate ( og_conc( n_oa ))\n Allocate ( rog_dconc( n_oa ))\n Allocate ( map_ROGtoCGRID( n_oa ))\n Allocate ( map_OAtoAERO( n_oa ))\n Allocate ( map_OGtoCGRID( n_oa ))\n Allocate ( lnonvol_oa( n_aerospc ))\n Allocate ( l_oa( n_aerospc ))\n\n#ifdef sens\n Allocate ( og_sens( n_oa,npmax ) )\n Allocate ( rog_dsens( n_oa,npmax ) )\n#endif\n\n ! Initialize and populate key OA variables\n map_OAtoAERO = 0\n op_mw = 200.0\n lnonvol_oa = .false.\n l_oa = .false.\n Do spc = 1,n_oa\n oaspc( spc ) = oa_list( map_OAtoOAlist( spc ) )\n map_OAtoAERO( spc ) = findAero( oaspc( spc )%name, .False. )\n If( map_OAtoAERO( spc ) .Lt. 1 ) \n & write(logdev,99904) Trim( oaspc( spc )%name )\n op_mw( spc ) = aerospc_mw( map_OAtoAERO( spc ) )\n lnonvol_oa( map_OAtoAERo( spc ) ) = ( oaspc( spc )%nonvol .and.\n & .Not. aerospc( map_OAtoAERo( spc ) )%tracer )\n l_oa( map_OAtoAERo( spc ) ) = ( aerospc( map_OAtoAERo( spc ) )%om .and.\n & .Not. aerospc( map_OAtoAERo( spc ) )%tracer )\n End Do\n\n ! Determine the location of any reaction counter species on the \n ! GC Namelist. When a match is found, populate the properties\n ! of that counter species.\n map_ROGtoCGRID = 0\n ROG_mw = 200.0\n Do spc = 1, n_oa\n If( oaspc( spc )%ctr_name == '' ) Cycle\n g = index1( oaspc( spc )%ctr_name, n_gc_spc, gc_spc )\n if ( g .ge. 1 ) then\n ! Populate Mapping Vector for the Precursor Species\n map_ROGtoCGRID( spc ) = gc_strt - 1 + g\n ROG_mw( spc ) = gc_molwt( g )\n else\n ! Log an Error\n OA_eflag = .True.\n write(logdev,99903)Trim( oaspc( spc )%ctr_name ),\n & Trim( oaspc( spc )%gas_name )\n End If\n End Do\n\n ! Determine the location on CGRID of condensable gases in \n ! equilibrium with OA particle species. When a match is found, \n ! populate the properties of those gas species.\n map_OGtoCGRID = 0\n og_mw = 200.0 ! Default Molecular Weight for all Organic Vapor Species\n Do spc = 1,n_oa\n If( oaspc( spc )%gas_name == '' ) Cycle\n\n n = index1( oaspc( spc )%gas_name, n_nr_spc, nr_spc )\n If ( n .ge. 1 ) Then\n map_OGtoCGRID( spc ) = nr_strt - 1 + n\n og_mw( spc ) = nr_molwt( n )\n End If\n\n g = index1( oaspc( spc )%gas_name, n_gc_spc, gc_spc )\n If ( g .ge. 1 ) Then\n map_OGtoCGRID( spc ) = gc_strt - 1 + g\n og_mw( spc ) = gc_molwt( g )\n End If\n\n If( n .lt. 1 .and. g .lt. 1 ) Then\n OA_eflag = .True.\n write(logdev,99902)Trim( oaspc( spc )%gas_name ), \n & Trim ( oaspc( spc )%name )\n End If\n End Do\n\n ! Find indices of required species based on mechname\n If( index( mechname,'CRACMM1_AQ' ) .eq. 0 \n & .and. index( mechname,'CRACMM2') .eq. 0 \n & .and. index( mechname,'CRACMM1AMORE_AQ') .eq. 0 ) then\n iso1_idx = findVapor( req_sviso1, .True. )\n iso2_idx = findVapor( req_sviso2, .True. )\n aiso1_idx = findAero( req_aeiso1, .True. )\n aiso2_idx = findAero( req_aeiso2, .True. )\n aiso3_idx = findAero( req_aeiso3, .True. )\n Else\n iso1_idx = findVapor( req_sviso1, .False. )\n iso2_idx = findVapor( req_sviso2, .False. )\n aiso1_idx = findAero( req_aeiso1, .False. )\n aiso2_idx = findAero( req_aeiso2, .False. )\n aiso3_idx = findAero( req_aeiso3, .False. )\n End If\n\n aorgc_idx = findAero( req_aeorgc, .True. )\n\n End If ! mapping condition\n\n#ifdef sens\n If ( .Not. ae_ddm3d_ready ) Then\n Call init_aero_ddm3d()\n End If\n#endif\n\n ! Copy grid cell concentrations of vapor species\n og_conc = 0.0\n rog_dconc = 0.0\n gasconv = airdens * inv_mwair ! Compute gas conversion constant\n#ifdef sens \n og_sens = 0.0\n rog_dsens = 0.0\n#endif\n\n Do spc = 1, n_oa\n n = map_OGtoCGRID( spc )\n If ( n .Ne. 0 ) Then\n vtmp = gasconv * og_mw( spc )\n og_conc( spc ) = Max( conc( n ) * vtmp, min_gasconc )\n#ifdef sens \n If (schk ) Then\n Do np = 1, npmax\n If ( og_conc( spc ) .eq. min_gasconc ) Then\n og_sens( spc,np ) = 0.0\n Else\n og_sens( spc,np ) = s_conc( np,n ) * vtmp\n Endif\n End Do\n End If\n#endif\n End If\n \n n = map_ROGtoCGRID( spc )\n If ( n .Ne. 0 ) Then\n rog_dconc( spc ) = Max( conc( n ), min_gasconc )\n#ifdef sens \n If (schk ) Then\n Do np = 1, npmax\n If ( rog_dconc( spc ) .eq. min_gasconc ) Then\n rog_dsens( spc,np ) = 0.0\n Else\n rog_dsens( spc,np ) = s_conc( np,n )\n Endif\n End Do\n End If\n#endif\n End If\n End Do\n\n99902 Format('FATAL: SOA Vapor, ', a, \n & ', is not found among the species in '\n & / 'the NR or GC namelist used. Required for modeling ', a / )\n99903 Format( 'FATAL: SOA Reaction Counter, ', a, \n & '. is not found among the species',\n & / 'in GC namelist used. Required for modeling vapor, ', \n & a / )\n99904 Format(1X,'aerosol product from namelist species: ', a /)\n \n Return\n End Subroutine extract_soa\n\nC-----------------------------------------------------------------------\n#ifdef sens\n Subroutine update_orgvapor( conc, s_conc )\n#else\n Subroutine update_orgvapor( conc )\n#endif\n\nC Populates CGRID from the conc array with updated SOA values.\n\nC Revision History:\nC First version was coded in April 2010 by Steve Howard with\nC Prakash Bhave, Jeff Young, and Sergey Napelenok.\nC\nC SH 03/10/11 Renamed met_data to aeromet_data\nC SR 03/25/11 Replaced I/O API include files with UTILIO_DEFN\nC-----------------------------------------------------------------------\n\n Use aero_data, only : cond_budget, npf_budget\n Use aeromet_data, only: airdens, inv_mwair, min_gasconc\n Use utilio_defn, only: xstat3, m3exit\n\n Implicit None\n\n ! Arguments:\n Real, Intent( Out ) :: conc( : )\n#ifdef sens\n Real, Intent( Out ) :: s_conc( :,: )\n#endif\n\n ! Local Variables:\n Character( 80 ) :: xmsg\n Real :: gasconv\n Real :: vtmp\n Integer :: n\n Integer :: spc\n\n If ( .Not. mapped ) Then\n xmsg = 'CGRID Species has not been mapped'\n Call m3exit( pname, 0, 0, xmsg, xstat3 )\n End If\n\n ! Compute gas conversion constant\n gasconv = airdens * inv_mwair\n\n ! Copy og_conc back to grid cell concentrations\n Do spc = 1, n_oa\n n = map_OGtoCGRID( spc )\n If ( n .Ne. 0 ) Then\n vtmp = og_mw( spc ) * gasconv\n conc( n ) = Max ( og_conc( spc ) / vtmp, min_gasconc )\n#ifdef sens\n Do np = 1, npmax\n If ( conc( n ) .Eq. min_gasconc ) Then\n s_conc( np,n ) = 0.0\n Else\n s_conc( np,n ) = og_sens( spc,np ) / vtmp\n End If\n End Do\n#endif\n \n ! Convert Budget Process Numbers from ug m-3 to ppmv\n ! for application to process analysis and ISAM\n COND_BUDGET( n ) = COND_BUDGET( n ) / vtmp\n NPF_BUDGET( n ) = NPF_BUDGET( n ) / vtmp\n End If\n End Do\n\n Return\n End Subroutine update_orgvapor\n\nC-----------------------------------------------------------------------\n Function findVapor( vname, required ) Result ( ndx )\n\nC Finds the index of 'required' semivolatile species in the oaspc list\n\nC Revision History:\nC First version was coded in April 2010 by Steve Howard with\nC Prakash Bhave, Jeff Young, and Sergey Napelenok.\nC\nC SR 03/25/11 Replaced I/O API include files with UTILIO_DEFN\nC-----------------------------------------------------------------------\n Use RUNTIME_VARS, only : logdev\n Use utilio_defn\n\n Implicit None\n\n ! Arguments:\n Character( 16 ) :: vname\n Integer ndx\n Logical required\n\n ! Local Variables:\n Character( 80 ) :: xmsg\n Integer :: spc\n\n ndx = 0\n Do spc = 1, n_oa\n If ( oaspc( spc )%gas_name .Eq. vname ) Then\n ndx = spc\n Return\n End If\n End Do\n\n If ( .Not. required ) Then\n xmsg = 'Optional Species '\n & // Trim( vname ) // \n & ' is not found in the G2AE or N2AE values of GC or NR namelists.'\n write(logdev,'(5x,a)') xmsg\n Return\n End If\n\n xmsg = 'FATAL:' // Trim( vname )\n & // ' is not found in the G2AE or N2AE values of GC or NR namelists.'\n OA_eflag = .True.\n Call m3warn( pname, 0, 0, xmsg )\n \n\n Return\n End Function findVapor\n\nC-----------------------------------------------------------------------\n Subroutine orgaer( dt, layer )\n\nC Updates CGRID via several pathways for secondary organic aerosol (SOA)\nC formation, as recommended by Edney et al. (2007). These include SOA\nC formation from isoprene, monoterpenes, sesquiterpenes, long alkanes, and\nC aromatics (incl. benzene).\n\nC Input includes the concentrations of reactive organic gases (ROG)\nC that were oxidized during the time step (ORGPROD), the vapor-phase\nC concentration of each semi-volatile organic compound, the\nC concentration of each SOA species, and the concentration of primary\nC organic aerosol (all concentrations are stored in the CBLK array).\nC Output includes updated concentrations of SOA species, vapor-phase\nC semi-volatile organic compounds, and moments of the accumulation\nC mode. The geometric mean diameter of the accumulation mode is also\nC updated. All SOA formation is restricted to the accumulation mode.\n\nC This code relies on 12 counter species to be incorporated in the\nC gas-phase chemical mechanisms to track the amounts of individual\nC ROG that reacted during the current time step (i.e., NPREC=10).\nC The arrays of length = NPREC include:\nC (1) \"long\" alkanes (ALKRXN)\nC (2) low-yield aromatics, high-NOx pathway (XYLNRXN)\nC (3) low-yield aromatics, low-NOx pathway (XYLHRXN)\nC (4) high-yield aromatics, high-NOx pathway (TOLNRXN)\nC (5) high-yield aromatics, low-NOx pathway (TOLHRXN)\nC (6) benzene, high-NOx pathway (BNZNRXN)\nC (7) benzene, low-NOx pathway (BNZHRXN)\nC (8) monoterpenes (TRPRXN)\nC (9) isoprene (ISOPRXN)\nC (10) sesquiterpenes (SESQRXN)\nC (11) PAHs/naphthalene, high-NOx pathway (PAHNRXN)\nC (12) PAHs/naphthalene, low-NOx pathway (PAHHRXN)\n\nC In total, 15 organic species are allowed to partition between the\nC vapor and particulate phases (i.e., NCVAP=12). The arrays of\nC length = NCVAP include:\nC alkane (2 semi-volatile products)\nC low-yield aromatics, high-NOx pathway (2 products)\nC high-yield aromatics, high-NOx pathway (2 products)\nC benzene, high-NOx pathway (2 products)\nC monoterpenes (2 products)\nC isoprene (2 products)\nC sesquiterpenes (1 product)\nC PAHs/naphthalene, high-NOx pathway (2 products)\n\nC Equilibrium partitioning calculations are based on the absorptive\nC partitioning model of Pankow (1994) that was extended by Odum et\nC al. (1996). Saturation vapor pressures (cstar) and mass-based\nC stoichiometric yield coefficients (alpha) are obtained from smog-\nC chamber studies. Saturation vapor pressures are modified as a\nC function of temperature using eqn 6 of Sheehan & Bowman (2001).\n\nC If the pre-existing organic aerosol concentration is zero,\nC gas/particle equilibrium is established only after the organic gas\nC concentration reaches the threshold value defined in eqn 9 of\nC Schell et al. (2001). Until this threshold value is reached,\nC organic vapors do not partition to the particle phase. Once the\nC organic gas/particle equilibrium has been established, gas and\nC particle-phase concentrations of each condensible species are\nC calculated iteratively using a globally convergent variation of\nC Newton's method (SUBROUTINE NEWT), as described in eqn 8 of Schell\nC et al. (2001).\n\nC In addition to the various pathways of semi-volatile SOA formation\nC treated in previous versions of the model, four types of non-\nC volatile SOA are considered here:\nC (1) aromatic and PAH-derived SOA under low-NOx conditions\nC (2) oligomerization of all particle-phase semi-volatile material\nC (3) SOA formed by in-cloud oxidation (SUBROUTINE AQCHEM)\nC (4) isoprene IEPOX-derived SOA under acidic conditions (AEROSOL_CHEMISTRY)\n\nC Previous code revision history:\nC Originally coded August 1, 2001 by Dr. Francis S. Binkowski\n\nC Revised April 4, 2003 by Gerald Gipson to allow for evaporation\nC of organics from aerosols. Now total vapor + aerosol phase is\nC repartitioned at each time step and totorgnv ( Mo ) does not\nC include oldsoa.\n\nC Revised July 14, 2003 by Dr. Prakash V. Bhave\nC - changed cstar(2,3) from 10.103 & 90.925 to 111.11 & 1000.0\nC because smog chamber data of Kalberer et al. were collected\nC at 298 K (not 310 K, as was previously assumed)\nC - changed mw_vap(9,10) from 184 g/mol to 177 g/mol, to be\nC consistent with mwsoa_b\nC - modified threshold criteria for establishing gas/particle\nC equilibrium by removing the loose criterion involving \"mtot\"\nC - changed variable names to reflect that the combined vapor +\nC aerosol concentrations are now being repartitioned during\nC each time step (not just the newly formed SVOC's)\nC - added documentation and removed extraneous lines of code\n\nC Revised December 4, 2003 by Dr. Francis S. Binkowski\nC - output variables ORGRATE and ORGBRATE removed and replaced\nC by SOA_A and SOA_B, the newly equilibrated values of\nC Anthropogenic and Biogenic SOA, respectively. These are non-\nC negative values.\nC - variable jj also removed\n\nC Revised January 8, 2004 by Dr. Prakash V. Bhave\nC - removed the output variable YIELD. It has no physical meaning\nC after the 12/04/2003 revisions.\n\nC Revised January 12, 2004 by Dr. Chris G. Nolte\nC - for computational efficiency, modified the initial caer guess\nC used as input to NEWT. If NEWT returns check .eq. true, then\nC NEWT is called again with a guess of caer = 0.5*ctot\nC - removed ITS parameter from NEWT call vector\nC - fixed bug where concentrations less than TOLMIN (i.e., 1.0E-12)\nC were reset to 1.0e-30\nC - removed extraneous code related to \"Pandis method\" of SVOC\nC partitioning when threshold criterion is not met (i.e.,\nC insufficient organic matter to establish gas/particle\nC equilibrium) ** results unaffected by this change\nC\nC Revised September 7, 2007 by Dr. Sergey L. Napelenok\nC - Replaced old SOA species (SOA_A, SOA_B) with an array of\nC precursor-specific SOA species. Replaced OLDSOA_A and OLDSOA_B\nC with an array (OLDSOA). Updated call vector accordingly.\nC - Deleted nole* and nbio* variables (now obsolete)\nC - Increased the dimension of several arrays to accommodate new\nC SOA precursors (benzene, sesquiterpenes) and pathways (low-NOx,\nC acid-catalyzed, oligomers, in-cloud)\nC\nC Revised November 29, 2007 by Dr. Prakash V. Bhave\nC - Renamed subroutine from ORGAER3 to ORGAER5\nC - Modified M2 and M3 calculations to account for the updated\nC definition of DRY aerosol (which now includes non-volatile SOA)\nC - Updated Hvap and corresponding cstar values\nC - Added parameters for SOA from isoprene and sesquiterpenes\nC - Updated aromatic SOA scheme to include semi-volatile and non-\nC volatile products that form under high-NOx and low-NOx\nC conditions, respectively\nC - Added oligomerization process\nC - Added enhancement of isoprene SOA under acidic conditions\nC\nC Revised June 2, 2008 by Dr. Prakash V. Bhave\nC - Changed h_vap of benzene SOA to match that of toluene SOA, based\nC on consultation with Dr. Ed Edney and Dr. Tad Kleindienst.\n\nC Revised June 5, 2008 by Drs. Prakash Bhave and Sergey Napelenok\nC - Simplified the code for conserving low-volatility isoprene\nC oxidation products and removed a minor bug in the acid-induced\nC isoprene SOA calculation.\nC\nC Revised September 9, 2008 by Dr. Prakash V. Bhave\nC - Increased alpha values for SV_TRP1, SV_TRP2, and SV_SQT by a\nC factor of 1.3 to correct for the implicit assumption of unit\nC density in those SOA yield parameters.\nC - Reduced SOA/SOC ratio of AISO1 and AISO2 from 2.5 to 1.6, and\nC increased SOA/SOC ratio of AISO3 from 2.5 to 2.7. Accordingly,\nC the molar masses of AISO1 and AISO2 were decreased to 96 g/mol\nC and the molar mass of AISO3 was increased to 162.\nC\nC Revised September 26, 2014 by Dr. Havala Pye\nC - Removed previous acid enhanced isoprene SOA. Acid catalyzed\nC isoprene SOA now follows Pye et al. 2013 ES&T uptake of IEPOX.\nC See AEROSOL_CHEMISTRY and mech.def for IEPOX SOA.\nC - Allowed for alternate method to NEWT for solving partitioning\nC equations\n\nC References:\nC 1. Edney, E.O., T.E. Kleindienst, M. Lewandowski, and J.H.\nC Offenberg, Updated SOA chemical mechanism for the Community\nC Multi-Scale Air Quality model, EPA 600/X-07/025, U.S. EPA,\nC Research Triangle Park, NC, 2007.\n\nC 2. Pankow, J. F., An absorption model of gas/particle partitioning\nC of organic compounds in the atmosphere, Atmos. Environ., Vol 28,\nC No 2, 185-188, 1994.\n\nC 3. Odum, J. R., T. Hoffmann, F. Bowman, D. Collins, R. C. Flagan,\nC and J. H. Seinfeld, Gas/particle partitioning and secondary\nC organic aerosol yields, Environ. Sci. Technol., Vol 30, No 8,\nC 2580-2585, 1996.\n\nC 4. Sheehan, P. E. and F. M. Bowman, Estimated effects of temperature\nC on secondary organic aerosol concentrations, Environ. Sci.\nC Technol., Vol 35, No 11, 2129-2135, 2001.\n\nC 5. Schell, B., I. J. Ackermann, H. Hass, F. S. Binkowski, and\nC A. Abel, Modeling the formation of secondary organic aerosol\nC within a comprehensive air quality modeling system, J. Geophys.\nC Res., Vol 106, No D22, 28275-28293, 2001.\n\nC 6. Strader, R., F. Lurmann, and S. N. Pandis, Evaluation of\nC secondary organic aerosol formation in winter, Atmos. Environ.,\nC Vol 33, 4849-4863, 1999.\n\nC 7. Ng, N. L., J. H. Kroll, A. W. H. Chan, P. S. Chhabra, R. C.\nC Flagan, and J. H. Seinfeld, Secondary organic aerosol formation\nC from m-xylene, toluene, and benzene, Atmos. Chem. Phys., Vol 7,\nC 3909-3922, 2007a.\n\nC 8. Griffin, R. J., D. R. Cocker III, R. C. Flagan, and J. H.\nC Seinfeld, Organic aerosol formation from the oxidation of\nC biogenic hydrocarbons, J. Geophys. Res., Vol 104, No D3,\nC 3555-3567, 1999.\n\nC 9. Bian, F. and F. M. Bowman, Theoretical method for lumping\nC multicomponent secondary organic aerosol mixtures, Environ.\nC Sci. Technol., Vol 36, No 11, 2491-2497, 2002.\n\nC 10. Offenberg, J. H., T. E. Kleindienst, M. Jaoui, M. Lewandowski,\nC and E. O. Edney, Thermal properties of secondary organic\nC aerosols, Geophys. Res. Lett., Vol 33, L03816, doi:10.1029/\nC 2005GL024623, 2006.\n\nC 11. Bahreini, R., M. D. Keywood, N. L. Ng, V. Varutbangkul, S. Gao,\nC R. C. Flagan, J. H. Seinfeld, D. R. Worsnop, and J. L. Jimenez,\nC Measurements of secondary organic aerosol from oxidation of\nC cycloalkenes, terpenes, and m-xylene using an Aerodyne aerosol\nC mass spectrometer, Environ. Sci. Technol., Vol 39, 5674-5688,\nC 2005.\n\nC 12. Alfarra, M. R., D. Paulsen, M. Gysel, A. A. Gaforth, J. Dommen,\nC A. S. H. Prevot, D. R. Worsnop, U. Baltensperger, and H. Coe,\nC A mass spectrometric study of secondary organic aerosols formed\nC from the photooxidation of anthropogenic and biogenic precursors\nC in a reaction chamber, Atmos. Chem. Phys., Vol 6, 5279-5293,\nC 2006.\n\nC 13. Ng, N. L., P. S. Chhabra, A. W. H. Chan, J. D. Surratt, J. H.\nC Kroll, A. J. Kwan, D. C. McCabe, P. O. Wennberg, A. Sorooshian,\nC S. M. Murphy, N. F. Dalleska, R. C. Flagan, and J. H. Seinfeld,\nC Effect of NOx level on secondary organic aerosol (SOA) formation\nC from the photooxidation of terpenes, Atmos. Chem. Phys., Vol 7,\nC 5159-5174, 2007b.\n\nC 14. Kostenidou, E., R. K. Pathak, and S. N. Pandis, An algorithm for\nC the calculation of secondary organic aerosol density combining\nC AMS and SMPS data, Aerosol Sci. Technol., Vol 41, 1002-1010,\nC 2007.\n\nC 15. Offenberg, J. H., C. W. Lewis, M. Lewandowski, M. Jaoui, T. E.\nC Kleindienst, and E. O. Edney, Contributions of toluene and\nC alpha-pinene to SOA formed in an irradiated toluene/alpha-pinene/\nC NOx/air mixture: comparison of results using 14C content and SOA\nC organic tracer methods, Environ. Sci. Technol., Vol 41, 3972-\nC 3976, 2007.\n\nC 16. Henze, D. K. and J. H. Seinfeld, Global secondary organic aerosol\nC from isoprene oxidation, Geophys. Res. Lett., Vol 33, L09812,\nC doi:10.1029/2006GL025976, 2006.\n\nC 17. Kleindienst, T. E., M. Jaoui, M. Lewandowski, J. H. Offenberg,\nC C. W. Lewis, P. V. Bhave, and E. O. Edney, Estimates of the\nC contributions of biogenic and anthropogenic hydrocarbons to\nC secondary organic aerosol at a southeastern US location, Atmos.\nC Environ., Vol 41, 8288-8300, 2007.\n\nC 18. Kalberer, M., D. Paulsen, M. Sax, M. Steinbacher, J. Dommen,\nC A. S. H. Prevot, R. Fisseha, E. Weingartner, V. Frankevich,\nC R. Zenobi, and U. Baltensperger, Identification of polymers as\nC major components of atmospheric organic aerosols, Science, Vol\nC 303, 1659-1662, 2004.\n\nC 19. Turpin, B. J. and H.-J. Lim, Species contributions to PM2.5 mass\nC concentrations: revisiting common assumptions for estimating\nC organic mass, Aero. Sci. Technol., Vol 35, 602-610, 2001.\n\nC 20. Surratt, J. D., M. Lewandowski, J. H. Offenberg, M. Jaoui, T. E.\nC Kleindienst, E. O. Edney, and J. H. Seinfeld, Effect of acidity\nC on secondary organic aerosol formation from isoprene, Environ.\nC Sci. Technol., Vol 41, 5363-5369, 2007.\n\nC 21. Pye et al., Epoxide pathways improve model prediction of isoprene\nC markers and reveal key role of acidity in aerosol formation,\nC Environ. Sci. Technol., 2013.\n\n\nC Revision History:\nC First orgaer version was coded in April 2010 by Steve Howard with\nC Prakash Bhave, Jeff Young, and Sergey Napelenok.\nC\nC SH 03/10/11 Renamed met_data to aeromet_data\nC SR 03/25/11 Replaced I/O API include files with UTILIO_DEFN\nC HOTP 05Aug15 Made the calculation for total number of organic moles more robust\nC BNM 11/09/15 Added Some Comments to the SOA Scheme\nC HOTP 7/17/18 Added uptake of water onto hydrophillic organics\nC-----------------------------------------------------------------------\n\nC Key Subroutines/Functions called: newt, soabisection\n\n Use aero_data\n Use aeromet_data\n Use utilio_defn\n\n Implicit None\n\n ! Arguments:\n Real :: dt ! Synchronization time step [ s ]\n Integer :: layer ! model layer number\n\n\n ! Local variables:\n Logical, Save :: first_time = .True.\n Logical, Save :: solve_orgmoles = .True.\n \n Character( 300 ) :: xmsg\n Integer :: i, im, indx, ispc, n, nsvol\n Integer, Save :: nsvol_tracers\n Integer, Save :: nsvol_Nottracers\n \n Real, Allocatable, Save :: mw_inv( : ) ! Inverse MW of SVOCs [ mol/g ]\n\n Real, Allocatable, Save :: rog_ppm2ug( : ) ! [ ppm per ug/m3 ] for ORGPROD at\n ! reference temperature and pressure\n\n ! Parameters & variables for adjusting cstar to ambient conditions\n Real, Parameter :: tref = 298.0 ! reference temperature [ K ]\n Real, Parameter :: trefm1 = 1.0 / tref ! inverse of reference temperature\n Real, Parameter :: prefm1 = 1.0 / stdatmpa ! inverse of reference pressure\n Real, Parameter :: rgas1 = 1.0 / rgasuniv ! reciprocal of universal gas constant\n Real, Parameter :: kolig = 0.69314718 / 72000.0 ! 20h half-life of oligomerization rate [ 1/s ]\n Real, Parameter :: olgrat = 2.1 ! SOA/SOC ratio for oligomers\n Real, Parameter :: kacid = 0.00361 ! acid-induced enhancement factor\n Real, Parameter :: threshmin = 1.0E-19 ! small positive number\n Real, Parameter :: ctolmin = 1.0E-06\n Real, Parameter :: convfac_298 = 101325.0 * rgas1 * trefm1 ! P/RT at 1 atm and 298 K [ mole/m**3 ]\n Real, Parameter :: difforg = 9.36e-6 ! Diffusivity of organics [m2 s-1]\n Real, Parameter :: alphorg = 1.0 ! accomodation coefficient\n\n Real convfac\n Real tt1, tt2 ! temperature-related factors\n Real tempcorr ! temperature correction factor for cstar\n\n ! Variables used in oligomerization calculations\n Real expdt ! non-dimensional loss coefficient\n Real nsvpa ! particle-phase anthropogenic SVOC [ umolC/m3 ]\n Real nsvpb ! particle-phase biogenic SVOC [ umolC/m3 ]\n\n ! Variables used in acid-enhanced isoprene SOA calculations\n Real hplus ! accumulation-mode H+ conc [ nmol/m3 ]\n Real aiso12 ! particle-phase isoprene SVOC [ ug/m3 ]\n Real vviso ! vapor-phase isoprene SVOC [ ug/m3 ]\n Real xiso3 ! newly produced AISO3J [ ug/m3 ]\n Real isofrac ! ratio for depletion of vapor-phase products\n\n ! Variables used in equilibrium partitioning calculations\n Real totrog( n_oa ) ! drog conc mapped to each SVOC [ ug/m3 ]\n Real(8) GRtmp( n_mode ) ! Dummy variable for accurate treatment of growth to specific moment\n Real GR3( n_oa,n_mode ) ! 3rd Moment Growth for each mode and compound\n Real GR3FRAC( n_oa,n_mode ) ! Fraction of each mode growing/shrinking\n Real dcaer ! Change in SVOC conc after partitioning happens[ ug/m3 ]\n Real cbar_org(n_oa) ! On-line molecular speed of each organic\n Real dv_org ! On-line gas-phase diffusivity of each organic\n Real totorgnv ! Non-volatile OA [ umole/m3 ]\n Real totorg ! SOA + POA before time step [ umole/m3 ]\n Real threshold ! criterion for establishing gas/part equil.\n Real faer ! fraction of total in aerosol, intermediate value\n Logical check ! flag to indicate if NEWT subroutine\n ! converged to a spurious root\n Real totaer ! total aerosol-phase mass of each semivolaitle component\n Real Phi ! mass fraction of a semivolatile component\n ! in each mode\n Character(16), Allocatable, Save :: svname( : )\n Real, Allocatable, Save :: svmw( : ), svmw_inv( : )\n Real, Allocatable, Save :: c0 ( : ) ! cstar at AIRTEMP [ ug/m3 ]\n Real, Allocatable, Save :: caer0 ( : ) ! Particle conc before current time step [ ug/m3 ]\n Real, Allocatable, Save :: ctoti ( : ) ! Total (g+p) conc before current time step [ ug/m3 ]\n Real, Allocatable, Save :: prod ( : ) ! Total G+P produced during current step [ ug/m3 ]\n Real, Allocatable, Save :: ctotf ( : ) ! Total conc after current time step [ ug/m3 ]\n Real, Allocatable, Save :: caer ( : ) ! Particle conc in aerosol phase after current \n ! step [ ug/m3 ]\n\n ! Variables for computing the budget\n REAL :: CBUDGET0_NUM ( N_MODE )\n REAL :: CBUDGET0_SRF ( N_MODE )\n REAL :: CBUDGET0_MASS( N_AEROSPC,N_MODE )\n REAL :: CBUDGET0_VAP ( N_OA )\n\n\n ! Variables for water uptake onto organics\n Real kappaVorg ! sum_i(kappa_i*Vorganic_i) [m3 species/m3 air]\n Real overallkappa ! sum_i(kappa_i*Vorganic_i)/vtot [NA units]\n Real totvol ! total aerosol volume [m3 species/m3 air]\n Real poa ! nonvolatile poa concentration [ug/m3]\n Real numparticles ! number of acc mode particles [#/m3]\n Real diam ! volume equivalent particle diameter [m]\n Real aw ! activity of water [fraction]\n Real relhumid ! relative humidity capped at 95% [fraction]\n ! Cap represents conservative est of water uptake\n ! and is consistent with IMPROVE visibility methods\n \n ! Variables for updating 2nd and 3rd moments\n Real(8) m0_init( 2 ) ! initial 0 moment, wet [ mom/m3 ]\n Real(8) m1wet_init( 2 ) ! initial 1st moment, wet [ mom/m3 ]\n Real(8) m2wet_initD( 2 ) ! initial 2nd moment, wet [ mom/m3 ]\n Real m3wet_init( 2 ) ! initial 3rd moment, wet [ mom/m3 ]\n Real m2wet_init( 2 ) ! initial 2nd moment, wet [ mom/m3 ]\n Real m3wet_final( 2 ) ! final 3rd moment with updated SOA [ mom/m3 ]\n Real m2wet_final( 2 ) ! final 2nd moment with updated SOA [ mom/m3 ]\n\n ! Added for new SOA bisection (hotp 7/6/11)\n Real :: lowb, upb, orgmoles ! lower bound, upper bound, total aerosol moles\n Logical, Parameter :: newtpartition = .False. ! true to use original method, false to use new bisection\n\n#ifdef sens\nC Sensitivity variables\n Real( 8 ), Allocatable, Save :: s_totrog( :,: ) ! drog conc mapped to each SVOC [ ug/m3 ]\n Real( 8 ), Allocatable, Save :: s_ctoti ( :,: ) ! Total (g+p) conc before current time step [ ug/m3 ]\n Real( 8 ), Allocatable, Save :: s_prod ( :,: ) ! Total G+P produced during current step [ ug/m3 ]\n Real( 8 ), Allocatable, Save :: s_ctotf ( :,: ) ! Total sens after current time step [ ug/m3 ]\n Real( 8 ), Allocatable, Save :: s_caer ( :,: ) ! Particle sens in aerosol phase after current step [ ug/m3 ]\n Real( 4 ), Allocatable, Save :: kpart( : ) ! partitioning factor caer/(ctotf)\n Real( 8 ), Allocatable, Save :: s_dcaer ( : ) ! Change in SVOC sens after partitioning happens[ ug/m3 ]\n Real( 8 ), Allocatable, Save :: s_caer0 ( :,: ) ! Particle sens before current time step [ ug/m3 ]\n Integer allocstat\n#endif\n\nC-----------------------------------------------------------------------\n\n If ( first_time ) Then\n first_time = .False.\n\n ! Set unit conversion and inverse mw constants. Allocate space\n ! for semivolatile species partitioning variables.\n Allocate( rog_ppm2ug( n_oa ), mw_inv( n_oa ) )\n rog_ppm2ug( : ) = ROG_mw( : ) * convfac_298\n mw_inv( : ) = 1.0 / op_mw( : )\n\n nsvol = count( .not.oaspc( : )%nonvol )\n If ( n_oa_tracers .gt. 0 )then\n nsvol_tracers = count( .not.oaspc( (n_oa_NotTracers+1):n_oa )%nonvol )\n Else\n nsvol_tracers = 0\n End If \n \n nsvol_NotTracers = nsvol - nsvol_tracers\n \n \n \n If ( nsvol_NotTracers .Le. 0 ) Then\n xmsg = 'All semivolatile SOA species are tracers. Not realistic model setup.'\n solve_orgmoles = .False.\n Call m3warn( pname, 0, 0, xmsg )\n End If\n \n Allocate( svname( nsvol ), svmw( nsvol ), svmw_inv( nsvol ),\n & c0( nsvol ), caer0( nsvol ), ctoti( nsvol ),\n & prod( nsvol ), ctotf( nsvol ), caer( nsvol ) )\n\n#ifdef sens\n Allocate (\n & s_totrog( n_oa,npmax ),\n & s_ctoti( nsvol,npmax ),\n & s_ctotf( nsvol,npmax ),\n & s_caer( nsvol,npmax ), \n & kpart( nsvol ),\n & s_prod( nsvol,npmax ), \n & s_dcaer( npmax ),\n & s_caer0( nsvol,npmax ),\n & stat = allocstat )\n If ( allocstat .Ne. 0 ) Then\n xmsg = 'Failure allocating sensitivity variables in ORGAER'\n Call m3exit ( 'ORGAER', 0, 0, xmsg, xstat1 )\n End If\n#endif\n End If ! first_time\n\n ! Set temperature factors\n tt1 = tref / airtemp\n tt2 = trefm1 - 1.0 / airtemp\n convfac = tt1 * airpres * prefm1\n\n ! Set Mass Transfer Properties (although each condensing organic\n ! will have its own diffusivity and molecular speed, just assume\n ! as a first guess that they are all uniform and given by a rep-\n ! resentative compound.\n Dv_org = difforg * ( STDATMPA / AIRPRES ) * ( AIRTEMP / 273.16 ) ** 1.75\n cbar_org( : ) = SQRT(8.0 * RGASUNIV * AIRTEMP / ( PI * og_mw(:) * 1.0E-3 ) )\n \n ! Compute 3rd moment, 2nd moment. moment_conc arrays are wet\n Call calcmoments ( .true. )\n Call getpar( FIXED_sg )\n\n\n ! Initialize Budget Variables\n CBUDGET0_NUM = MOMENT0_CONC\n CBUDGET0_SRF = MOMENT2_CONC\n CBUDGET0_MASS = AEROSPC_CONC\n CBUDGET0_VAP = OG_CONC\n\n ! Initialize Local Moment Variables\n m3wet_init( : ) = moment3_conc( 1:2 )\n m2wet_init( : ) = moment2_conc( 1:2 )\n \n ! Calculate total flux associated with each indivual mode \n ! for the third moment.\n GR3( :,: ) = 0.0\n m0_init( : ) = Real( moment0_conc( 1:2 ), 8 )\n m2wet_initD( : ) = Real( m2wet_init( 1:2 ), 8 )\n\n Do im = 1,2\n m1wet_init( im ) = m0_init( im ) * aeromode_diam( im ) * \n & exp( 0.5d0 * aeromode_lnsg( im ) ** 2.0d0 )\n\n Do i = 1, n_oa\n If ( aero_missing( map_OAtoAERO( i ),im ) .or.\n & oaspc(i)%nonvol ) Cycle\n \n Call HCOND3( m0_init( im ), m1wet_init( im ),\n & m2wet_initD( im ), Dv_org, alphorg, \n & cbar_org(i), GRtmp )\n GR3( i,im ) = Real( GRtmp( 2 ), 4 )\n End Do\n End Do\n \n ! Calculate fraction of mass transfer to/from each mode\n GR3FRAC( :,: ) = 0.0\n Where ( GR3( :,1 ) .gt. 0. ) \n & GR3FRAC( :,1 ) = GR3( :,1 ) / ( GR3(:,1) + GR3(:,2) ) ! Aitken Growth\n Where ( GR3( :,2 ) .gt. 0. )\n & GR3FRAC( :,2 ) = GR3( :,2 ) / ( GR3(:,1) + GR3(:,2) ) ! Accumulation Growth\n\n ! Initialize drog from ORGPROD and change units to [ ug / m**3 ]\n ! Assignment of drog to totrog. This moving mass from the reactive\n ! gas tracer species to the array that will be multiplied by alpha\n ! to give newly formed semivolatile vapors.\n totrog( : ) = rog_dconc( : ) * rog_ppm2ug( : ) * convfac\n#ifdef sens\n Do np = 1, npmax\n Do i = 1, n_oa\n s_totrog( i, np ) = rog_dsens( i, np )* rog_ppm2ug( i ) * convfac\n End Do\n End Do\n#endif\n\n ! Transfer non-volatile products directly to aerospc_conc array (2nd mode)\n Do i = 1, n_oa_NotTracers\n If ( oaspc( i )%nonvol .and. oaspc( i )%alpha .gt. 0. ) Then\n aerospc_conc( map_OAtoAERO( i ),2 ) =\n & aerospc_conc( map_OAtoAERO( i ),2 )\n & + oaspc( i )%alpha * totrog( i )\n#ifdef sens\n Do np = 1, npmax\n s_aerospc_conc( map_OAtoAERO( i ),2,np ) =\n & s_aerospc_conc( map_OAtoAERO( i ),2,np )\n & + oaspc( i )%alpha * s_totrog( i,np )\n End Do\n#endif\n End If\n End Do\n\n ! Equilibrium Partitioning Calculations\n\n ! Initial guess of caer is computed as follows:\n ! From eqn (8) of Schell et al. (2001)\n ! caer = ctotf - c0 * (caer/MW) / totorg\n ! Assuming totorg doesn't change during the timestep,\n ! caer * (1 + c0/MW / totorg) = ctotf\n ! caer = ctotf / ( 1 + c0/MW / totorg )\n\n threshold = 0.0 ! This threshold will be compared to the\n ! saturation concentration to determine whether\n ! or not OA partitioning is even likely.\n upb = 0.0 ! Upper bound for bisection method\n\n ! Compute the number of nonvolatile and total organic compound\n ! moles in the system\n nsvol = 0\n totorgnv = sum( sum( aerospc_conc( :,1:2 ),2 ) / aerospc_mw( : ),\n & mask=lnonvol_oa( : ) )\n totorg = sum( sum( aerospc_conc( :,1:2 ),2 ) * aerospc_mwinv( : ),\n & mask=(aerospc(:)%om .and. .Not. aerospc(:)%tracer) )\n\n \n \n ! Calculate the Initial Partitioning of Each Semivolatile\n ! Compound\n Do i = 1, n_oa\n n = map_OAtoAERO( i )\n if ( .not.oaspc( i )%nonvol ) Then\n nsvol = nsvol + 1\n svname( nsvol ) = oaspc( i )%name\n\n ! Sum particle-phase and total organic mass for this\n ! semivolatile species\n caer0( nsvol ) = aerospc_conc( n,2 ) + aerospc_conc( n,1 )\n ctoti( nsvol ) = og_conc( i )\n & + aerospc_conc( n,2 ) + aerospc_conc( n,1 )\n\n#ifdef sens\n Do np = 1, npmax\n s_caer0( nsvol,np ) = s_aerospc_conc( n,2,np ) \n & + s_aerospc_conc( n,1,np )\n s_ctoti( nsvol,np ) = og_sens( i,np )\n & + s_aerospc_conc( n,2,np ) \n & + s_aerospc_conc( n,1,np )\n End Do\n#endif\n ! Calculate C* at current temperature\n tempcorr = tt1 * Exp( oaspc( i )%enth * rgas1 * tt2 )\n c0( nsvol ) = oaspc( i )%cstar * tempcorr ! Satn Conc. [ug/m3]\n prod( nsvol ) = oaspc( i )%alpha * totrog( i ) ! Total Vapor Produced [ug/m3]\n ctotf( nsvol )= ctoti( nsvol ) + prod( nsvol ) ! Vapor + Particle [ug/m3]\n#ifdef sens\n Do np = 1, npmax\n s_prod( nsvol,np ) = oaspc( i )%alpha * s_totrog( i,np ) \n s_ctotf( nsvol,np ) = s_ctoti( nsvol,np ) + s_prod( nsvol,np ) \n End Do\n#endif\n\n If ( .Not. aerospc( n )%tracer ) Then ! partition only based on NotTracer mass\n threshold = threshold + ctotf( nsvol ) / c0( nsvol )\n ! Partition Nontracer semivolatile species accordingly\n faer = totorg ! initial fraction in aerosol\n & / (totorg + c0( nsvol ) * mw_inv( i ) ) \n caer( nsvol ) = ctotf( nsvol ) * faer ! initial amount in aerosol\n#ifdef sens\n Do np = 1, npmax\n s_caer( nsvol,np ) = s_ctotf( nsvol,np ) * faer\n End Do\n#endif if\n upb = upb + ctotf( nsvol ) * mw_inv( i ) ! upper bound: just semivolatile\n ! moles for now. Nonvolatile moles \n ! will be added later.\n End If\n \n svmw_inv( nsvol ) = mw_inv( i )\n svmw( nsvol ) = op_mw( i )\n \n end if\n End Do\n\n ! Check If gas/particle equilibrium can be established\n If ( ( threshold .Gt. 1.0 ) .Or. ( totorgnv .Gt. threshmin ) ) Then\n\n ! Perform one of two methods for partitioning\n If ( newtpartition ) Then\n\n ! METHOD1\n ! Calculate new SOA by partitioning. This method uses a globally convergent\n ! Newton-Raphson method coded by Dr Benedikt Schell to solve the nonlinear\n ! quadratic system shown in eqn 8 of Schell et al:\n ! A(i) * caer(i) ** 2 + B * caer(i) + C(i) = 0.0,\n ! where B(i) contains the sum of all caer(j), for j not equal to i.\n\n Call newt( layer, caer, nsvol_NotTracers, check,\n & ctotf, c0, svmw_inv, totorgnv )\n If ( check ) Then\n ! Try again with initial guess of 50/50 gas/aerosol split.\n Do i = 1, nsvol_NotTracers\n caer( i ) = 0.5 * ctotf( i )\n End Do\n Call newt( layer, caer, nsvol_NotTracers, check,\n & ctotf, c0, svmw_inv, totorgnv )\n If ( check ) Then\n Write( xmsg,'( A,I4 )' ) \n & ' *** Problem in NEWT at Layer = ', layer\n Call m3exit( pname, 0, 0, xmsg, xstat3 )\n End If\n End If\n\n If ( nsvol_tracers .Gt. 0 ) Then\n! partition tracer semivolatiles based on Schell equation (8)\n! assuming:\n! 1) the orgmoles from tracer species are already accounted in the orgmoles\n! from non-tracers species.\n! 2) tracer is divided between volatile and nonvolatile components.\n! the nonvolatile part can not partition. The division is given by the\n! variable, frac_volatile.\n! shell's visocity\n orgmoles = totorgnv\n Do i = 1, nsvol_NotTracers\n orgmoles = orgmoles + caer( i ) * mw_inv( i )\n End Do\n! phi = aerospc_conc( aorgh2o_idx, 2 ) * aerospc_mwinv( aorgh2o_idx ) / orgmoles\n Do i = nsvol_NotTracers+1, nsvol\n faer = svmw(i) * orgmoles \n & / ( c0( i ) + svmw(i) * orgmoles )\n caer( i ) = ctotf( i ) * faer\n! update final concentration with nonvolatile fraction\n ctotf( i ) = ctotf( i )\n End Do \n End If \n \n Else\n \n ! METHOD2\n ! Calculate new SOA by partitioning.\n ! Method uses bisection method to solve for total number of moles\n ! of orgaic aerosol. Caer is then calculated based on that number.\n ! Solve for total number of organic moles in aerosol (hotp 7/5/11)\n lowb = totorgnv ! lower: moles of nonvolatile\n upb = lowb + upb ! upper: all moles (semi and nonvolatile)\n If ( abs( upb - lowb ) .Lt. threshmin ) Then\n ! no SOA to partition\n orgmoles = ( lowb + upb ) / 2.0\n Else\n upb = upb * ( 2.0 + 1.0e-7 * real(n_oa_NotTracers) ) ! prevent numerical issues\n orgmoles = soabisect( lowb, upb, totorgnv, nsvol_NotTracers, c0, ctotf, svmw )\n End If\n\n ! Determine concentration of each semivoltile (hotp 7/5/11)\n Do i = 1, nsvol_NotTracers \n faer = svmw(i) * orgmoles / \n & ( c0( i ) + svmw(i) * orgmoles )\n caer( i ) = ctotf( i ) * faer\n End Do\n! partition tracer semivolatiles based on Schell equation (8)\n! assuming:\n! 1) orgmoles already include moles from tracers\n Do i = nsvol_NotTracers+1, nsvol\n faer = svmw(i) * orgmoles \n & / ( c0( i ) + svmw(i) * orgmoles )\n caer( i ) = ctotf( i ) * faer\n! update final concentration with nonvolatile fraction\n ctotf( i ) = ctotf( i ) \n End Do \n End If ! End OA paritioning solver METHOD selection\n\n#ifdef sens \nc approximate partioning for sensitivities\n kpart = 0.0\n Do i = nsvol_NotTracers+1, nsvol\n If ( ctotf( i ) .gt. 0.0 ) Then\n kpart( i ) = caer( i ) / ctotf( i )\n Else\n kpart( i ) = 0.5\n Endif\n kpart( i ) = max( min(kpart( i ),1.0), 0.0 )\n End Do\n\n Do np = 1, npmax\n Do i = nsvol_NotTracers+1, nsvol\n s_caer( i,np ) = s_ctotf( i,np ) * Real( kpart( i ),8 )\n End Do\n End Do\n#endif\n\n ! Constrain caer to values between conmin and ctotf\n nsvol = 0\n Do i = 1, n_oa\n If ( oaspc( i )%nonvol ) Cycle\n nsvol = nsvol + 1\n\n ! Check that the mass of aerosol left has not gone below a\n ! minimum value\n If ( caer( nsvol ) .Lt. tiny(0.0) ) Then\n Write( logdev,* ) 'caer less than zero for OA species: ', \n & oaspc( i )%name, ' ', caer( nsvol ),\n & ' reset to evapmin.'\n ctotf( nsvol ) = ctotf( nsvol ) - caer( nsvol ) + evapmin\n caer( nsvol ) = evapmin\n#ifdef sens\n Do np = 1, npmax\n s_ctotf( nsvol,np ) = s_ctotf( nsvol,np ) - s_caer( nsvol,np) \nc s_ctotf( nsvol,np ) = s_ctotf( nsvol,np ) \nc * ( 1.0 - kpart( nsvol) ) \n s_caer( nsvol,np ) = 0.0\n End Do\n#endif \n End If\n\n ! Check that the mass of aerosol condensed does not exceed\n ! the total\n If ( caer( nsvol ) - ctotf( nsvol ) .Gt. tiny(0.0) ) Then\n Write( logdev,* ) 'caer exceeds ctotf at i = ', i\n Write( logdev,* ) 'caer: ', caer( nsvol ), ' ctotf: ', ctotf( nsvol )\n Write( logdev,* ) 'caer reset to ctotf'\n caer( nsvol ) = ctotf( nsvol )\n#ifdef sens\n Do np = 1, npmax\n s_caer( nsvol,np ) = s_ctotf( nsvol,np ) \n End Do\n#endif \n End If\n\n ! Calculate total change in OA Species Concentration\n dcaer = caer( nsvol ) - caer0( nsvol ) \n#ifdef sens\n Do np = 1, npmax\n s_dcaer( np ) = s_caer( nsvol,np ) - s_caer0( nsvol,np )\n End Do\n#endif \n\n ! Sum the total aerosol mass of this compound across all\n ! aerosol modes\n indx = map_OAtoAERO( i )\n totaer = max( sum( aerospc_conc( indx,: ) , mask = \n & .NOT.aero_missing( indx,: ) ), conmin )\n \n ! Transfer the semivolatile mass\n Do im = 1,2\n If ( aero_missing( indx,im ) ) Cycle\n If ( dcaer .lt. 0.0 ) Then\n ! Evaporate using mode-dependent mass fraction\n Phi = aerospc_conc( indx,im ) / totaer\n aerospc_conc( indx,im ) = \n & aerospc_conc( indx,im ) + dcaer * Phi\n#ifdef sens\n Do np = 1, npmax\n s_aerospc_conc( indx,im,np ) = \n & s_aerospc_conc( indx,im,np ) + s_dcaer( np ) * Phi\n End Do\n#endif\n Else\n ! Condense using mode-dependent condensaiton flux \n ! fraction\n aerospc_conc( indx,im ) = aerospc_conc( indx,im ) \n & + dcaer * GR3FRAC( i,im )\n#ifdef sens\n Do np = 1, npmax\n s_aerospc_conc( indx,im,np ) = \n & s_aerospc_conc( indx,im,np )\n & + s_dcaer( np ) * GR3FRAC( i,im ) \n End Do\n#endif\n End If\n End Do\n\n og_conc( i ) = ctotf( nsvol ) - caer( nsvol )\n\n#ifdef sens\n Do np = 1, npmax\n og_sens( i,np ) = s_ctotf( nsvol,np ) - s_caer( nsvol,np )\n End Do\n#endif\n End Do ! Partitioning Vapor Loop\n \n Else ! threshold not exceeded; no material transferred to aerosol phase\n \n nsvol = 0\n Do i = 1, n_oa\n if ( oaspc( i )%nonvol ) Cycle\n nsvol = nsvol + 1\n indx = map_OAtoAERO( i )\n\n ! Set all semivolatile aerosols to minimum concentration\n aerospc_conc( indx, 1:n_mode ) = conmin\n ! Sum up particle-phase mass to subtract it from available\n ! vapor\n og_conc( i ) = ctotf( nsvol ) -\n & sum( aerospc_conc( indx,: ), \n & mask=.not.aero_missing( indx,: ) )\n#ifdef sens\n Do np = 1, npmax\n s_aerospc_conc( indx, 1:n_mode,np ) = 0.0\n og_sens( i,np ) = s_ctotf( nsvol,np ) -\n & sum( s_aerospc_conc( indx,:,np ), \n & mask=.not.aero_missing( indx,: ) )\n\n End Do\n#endif\n End Do\n\n End If ! check on equilibrium threshold\n\n\n ! Add uptake of water onto hydrophillic organics (see Petters and\n ! Kreidenweis 2007 ACP and Pye et al. 2017 ACP for method).\n ! Uptake of water onto inorganic species is calculated elsewhere\n ! using ISORROPIA.\n If ( aorgh2o_idx > 0 ) Then\n\n kappaVorg = 0.0e0 ! units: m3.spec/m3.air\n totvol = 0.0e0 ! units: m3.particle/m3.air\n aerospc_conc( aorgh2o_idx,: ) = conmin\n\n im = 2 ! only compute water for accumulation mode OM\n\n ! Compute sum_i(Kappa_i*Vorg_i) for all OM species except POC \n ! and PNCOM, which will be handled next.\n Do i = 1, n_aerospc\n If( aerospc( i )%tracer )cycle\n totvol = totvol + aerospc_conc(i, im ) /\n & aerospc( i )%density * 1.0e-9\n If( aerospc( i )%OM .and. \n & i .ne. apoc_idx .and. i .ne. apncom_idx ) Then\n kappaVorg = kappaVorg + aerospc( i )%kappaorg *\n & aerospc_conc( i, im ) / aerospc( i )%density*1.0e-9\n End If\n End Do\n\n ! Account for Kappa of Nonvolatile POC and PNCOM species. This\n ! must be done separately because PNCOM has infinite OM:OC\n poa = aerospc_conc( apoc_idx, im ) + aerospc_conc( apncom_idx, im )\n kappaVorg = kappaVorg + \n & (0.11*poa / ( aerospc_conc(apoc_idx, im ) + tiny(0.0) ) -0.10)\n & * (aerospc_conc( apncom_idx, im ) / aerospc( apncom_idx )%density +\n & aerospc_conc( apoc_idx, im ) / aerospc( apoc_idx )%density )*1.0e-9\n\n ! Calculate Aggregate Kappa and volume Equivalent Diameter\n overallkappa = kappaVorg/totvol\n numparticles = moment0_conc( im )\n diam = (6.0*totvol/numparticles/ pi ) ** (1.0/3.0)\n\n ! Compute aerosol water (Eq 3 of Petters and Kreidenweis)\n relhumid = min( airRH, 0.95 ) ! Cap RH at 95% to be conservative regarding uptake\n aw = activityw( relhumid, airtemp, diam ) ! activity of water\n If( overallkappa .gt. 1e-6 ) then ! prevents situation of little uptake\n aerospc_conc( aorgh2o_idx, im ) = aerospc( aorgh2o_idx )%density\n & * aw/(1.0-aw) * kappaVorg * 1.0e9\n End If\n\n End If ! End organic water uptake\n\n ! Update 3rd moment, 2nd moment, and Dg in CBLK array by assuming that SOA\n ! condensation/evaporation does not affect the geometric standard deviation.\n\n ! Get new third moment of all species, do not get second moment\n ! directly from the calcmoments diagnostic. Instead, update it\n ! manually to account for condensation in ORGAER.\n Call calcmoments( .true. )\n m3wet_final( : ) = moment3_conc( 1:2 )\n m2wet_final( 1 ) = m2wet_init( 1 ) * ( m3wet_final( 1 ) /\n & m3wet_init( 1 ) ) ** ( 2.0 / 3.0 )\n m2wet_final( 2 ) = m2wet_init( 2 ) * ( m3wet_final( 2 ) / \n & m3wet_init( 2 ) ) ** ( 2.0 / 3.0 )\n moment2_conc( 1:2 ) = m2wet_final( : )\n\n ! Update Budget Variables\n DO IM = 1,N_MODE\n ! Update Number and Surface Area\n COND_BUDGET( AERONUM_MAP( IM ) ) = MOMENT0_CONC( IM ) - CBUDGET0_NUM( IM )\n COND_BUDGET( AEROSRF_MAP( IM ) ) = MOMENT2_CONC( IM ) - CBUDGET0_SRF( IM )\n\n ! Update Organic Particles\n DO ISPC = 1,N_AEROSPC\n IF ( AEROSPC_MAP( ISPC,IM ) .NE. 0 ) \n & COND_BUDGET( AEROSPC_MAP( ISPC,IM ) ) = \n & AEROSPC_CONC( ISPC,IM ) - CBUDGET0_MASS( ISPC,IM )\n END DO\n\n ! Update Organic Vapors\n DO ISPC = 1,N_OA\n IF ( MAP_OGtoCGRID( ISPC ) .NE. 0 ) \n & COND_BUDGET( MAP_OGtoCGRID( ISPC ) ) = \n & OG_CONC( ISPC ) - CBUDGET0_VAP( ISPC )\n END DO\n END DO\n\n Return\n End Subroutine orgaer\n\nC-----------------------------------------------------------------------\n SUBROUTINE NEWT( LAYER, X, N, CHECK,\n & CTOT, CSAT, IMWCV, MINITW )\n\nC Description:\nC This subroutine and the underlying subprograms constitute Dr.\nC Benedikt Schell's SOA model.\nC\nC Adopted from Numerical Recipes in FORTRAN, Chapter 9.7, 2nd ed.\nC\nC Given an initial guess X(1:N) for a root in N dimensions, find\nC the root by a globally convergent Newton's method. The vector of\nC functions to be zeroed, called FVEC(1:N) in the routine below, is\nC returned by a user-supplied subroutine that must be called FUNCV\nC and have the declaration SUBROUTINE FUNCV(N,X,FVEC). The output\nC quantity CHECK is false on a normal return and true if the\nC routine has converged to a local minimum of the function FMINV\nC defined below. In this case, user should try restarting from a\nC different initial guess.\nC\nC Key Subroutines Called: FDJAC, FMINV, LNSRCH, LUBKSB, LUDCMP\nC\nC Revision History:\nC In CMAQ v4.3 - v4.7.1, this subroutine was embedded in a separate\nC Fortran module entitled SOA_NEWT. Below, the Revision History from\nC the SOA_NEWT module has been merged with the Revision History from\nC this specific subroutine.\nC\nC CGN 01/12/04 removed ITS from call vector, added documentation, and\nC removed extraneous lines of code\nC\nC SLN 09/18/07 updated NP and NPREC for compatibility with new SOA module\nC\nC PVB 11/19/07 renamed NP to NCVAP for consistency with ORGAER5 subroutine\nC\nC SH 02/10/10 embedded the old Fortran module, SOA_NEWT, into a new module,\nC SOA_DEFN, so all SOA-related code can be found in one file. Renamed\nC NCVAP to n_oa. Its value is now set in SOA_DEFN (instead of inside\nC this subroutine). Added TOLX to the call vector of Subroutine LNSRCH,\nC since that parameter is now set in this subroutine (instead of in the\nC Fortran module).\nC\nC References:\nC 1. Schell, B., I. J. Ackermann, H. Hass, F. S. Binkowski, and\nC A. Abel, Modeling the formation of secondary organic aerosol\nC within a comprehensive air quality modeling system, J. Geophys.\nC Res., Vol 106, No D22, 28275-28293, 2001.\n\n IMPLICIT NONE\n\nC Arguments\n\n INTEGER LAYER ! model layer\n INTEGER N ! dimension of problem\n REAL X( N ) ! initial guess of CAER\n LOGICAL CHECK\n REAL CTOT( N ) ! total concentration GAS + AER + PROD\n REAL CSAT( N ) ! saturation conc. of cond. vapor [ug/m^3]\n REAL IMWCV( N ) ! inverse molecular weights\n REAL MINITW ! weighted initial mass\n\nC Following Numerical recipes\n\n Integer NN\n REAL :: FVEC( N ) ! vector of functions to be zeroed\n ! COMMON /NEWTV/ FVEC(n_oa), NN\n ! SAVE /NEWTV/\n\nC Parameters\n INTEGER, PARAMETER :: MAXITS = 100 ! maximum number of iterations\n REAL, PARAMETER :: TOLF = 1.0E-09 ! convergence criterion on fxn values\n REAL, PARAMETER :: TOLMIN = 1.0E-12 ! criterion whether spurious conver-\n ! gence to a minimum has occurred\n REAL, PARAMETER :: TOLX = 1.0E-10 ! convergence criterion on delta_x\n REAL, PARAMETER :: STPMX = 100.0 ! scaled maximum step length allowed\n\nC Local variables\n REAL :: CT( N ), CS( N ), IMW( N ), M\n ! REAL CS\n ! REAL IMW\n ! REAL M\n ! COMMON /NEWTINP/ CT( n_oa ), CS( n_oa ), IMW( n_oa ), M\n ! SAVE /NEWTINP/\n\n INTEGER I, ITS, J, INDX( N_OA )\n REAL D, DEN, F, FOLD, STPMAX, SUM, TEMP, TEST\n REAL FJAC( N_OA,N_OA )\n REAL G( N_OA), P( N_OA ), XOLD( N_OA )\n! EXTERNAL FDJAC\n\nC-----------------------------------------------------------------------\n\n CHECK = .FALSE.\n M = MINITW\n DO I = 1, N\n CT( I ) = CTOT( I )\n CS( I ) = CSAT( I )\n IMW( I ) = IMWCV( I )\n END DO\n\n NN = N\n CALL FMINV( X,F,NN,FVEC,CT,CS,IMW,M ) ! The vector FVEC is also computed by this call\n TEST = 0.0 ! Test for initial guess being a root. Use more\n ! stringent test than simply TOLF.\n DO I = 1, N\n IF ( ABS( FVEC( I ) ) .GT. TEST ) TEST = ABS( FVEC( I ))\n END DO\n\n IF ( TEST .LT. 0.01 * TOLF ) RETURN ! initial guess is a root\n SUM = 0.0 ! Calculate STPMAX for line searches\n DO I = 1, N\n SUM = SUM + X( I ) ** 2\n END DO\n STPMAX = STPMX * MAX( SQRT( SUM ), FLOAT( N ) )\n DO ITS = 1, MAXITS ! start of iteration loop\n CALL FDJAC( N, X, FJAC, CT, CS, IMW, M ) ! get Jacobian\n DO I = 1, N ! compute Delta f for line search\n SUM = 0.0\n DO J = 1, N\n SUM = SUM + FJAC( J,I ) * FVEC( J )\n END DO\n G( I ) = SUM\n END DO\n DO I = 1, N ! store X\n XOLD( I ) = X( I )\n END DO\n FOLD = F ! store F\n DO I = 1, N ! right-hand side for linear equations\n P( I ) = -FVEC( I )\n END DO\n CALL LUDCMP( FJAC, N, INDX, D ) ! solve linear equations by LU decomposition\n CALL LUBKSB( FJAC, N, INDX, P )\n CALL LNSRCH( CTOT,\n & N, XOLD, FOLD, G, ! LNSRCH returns new X and F. It also\n & P, X, F, STPMAX, ! calculates FVEC at the new X when it\n & TOLX, CHECK, FVEC,\n & CT, CS, IMW, M) ! calls FMINV\n TEST = 0.0\n DO I = 1, N\n IF ( ABS( FVEC( I ) ) .GT. TEST ) TEST = ABS( FVEC( I ) )\n END DO\n IF ( TEST .LT. TOLF ) THEN\n CHECK = .FALSE.\n RETURN\n END IF\n IF ( CHECK ) THEN ! Check for gradient of F zero,\n TEST = 0.0 ! i.e., spurious convergence.\n DEN = MAX( F, 0.5 * N )\n DO I = 1, N\n TEMP = ABS( G( I ) ) * MAX( ABS( X( I ) ), 1.0 ) / DEN\n IF ( TEMP .GT. TEST ) TEST = TEMP\n END DO\n IF ( TEST .LT. TOLMIN ) THEN\n CHECK = .TRUE.\n ELSE\n CHECK = .FALSE.\n END IF\n RETURN\n END IF\n TEST = 0.0 ! Test for convergence on delta_x\n DO I = 1, N\n TEMP = ( ABS( X( I ) - XOLD( I ) ) ) / MAX( ABS( X( I ) ), 1.0 )\n IF ( TEMP .GT. TEST ) TEST = TEMP\n END DO\n IF ( TEST .LT. TOLX ) RETURN\n END DO\n WRITE( *,'(a,i2)' ) 'MAXITS exceeded in NEWT ! Layer: ', LAYER\n END SUBROUTINE NEWT\n\nC-----------------------------------------------------------------------\n SUBROUTINE FDJAC( N, X, FJAC, CT, CS, IMW, M )\n\nC Description:\nC Get the Jacobian of the function\n\nC ( a1 * X1^2 + b1 * X1 + c1 )\nC ( a2 * X2^2 + b2 * X2 + c2 )\nC ( a3 * X3^2 + b3 * X3 + c3 )\nC F(X) = ( a4 * X4^2 + b4 * X4 + c4 ) = 0.0\nC ( ........................ )\nC ( aN * XN^2 + bN * XN + cN )\nC\nC a_i = IMW_i\nC b_i = SUM(X_j * IMW_j)_j.NE.i + CSAT_i * IMW_i + M\nC - CTOT_i * IMW_i\nC\nC c_i = - CTOT_i * [ SUM(X_j * IMW_j)_j.NE.i + M ]\nC\nC delta F_i ( 2. * a_i * X_i + b_i If i .EQ. j\nC J_ij = ----------- = (\nC delta X_j ( ( X_i - CTOT_i ) * IMW_j If i .NE. j\n\nC Revision History:\nC CGN 01/12/04 changed B1 & B2 to scalars\nC SH 02/10/10 renamed NCVAP to n_oa. Value is inherited from SOA_DEFN.\n\n IMPLICIT NONE\n\n INTEGER N ! dimension of problem\n REAL X( N ) ! initial guess of CAER\n\n REAL CT( N )\n REAL CS( N )\n REAL IMW( N )\n REAL M\n\n REAL FJAC( N,N )\n\n INTEGER I, J ! loop index\n REAL A( N_OA )\n REAL B( N_OA )\n REAL B1\n REAL B2\n REAL SUM_JNEI\n\n DO I = 1, N\n A( I ) = IMW( I )\n SUM_JNEI = 0.0\n DO J = 1, N\n SUM_JNEI = SUM_JNEI + X( J ) * IMW( J )\n END DO\n B1 = SUM_JNEI - ( X( I ) * IMW( I ) )\n B2 = ( CS( I ) - CT( I ) ) * IMW( I ) + M\n B( I ) = B1 + B2\n END DO\n DO J = 1, N\n DO I = 1, N\n IF ( I .EQ. J ) THEN\n FJAC( I,J ) = 2.0 * A( I ) * X( I ) + B( I )\n ELSE\n FJAC( I,J ) = ( X( I ) - CT( I ) ) * IMW( J )\n END IF\n END DO\n END DO\n\n RETURN\n END SUBROUTINE FDJAC\n\nC-----------------------------------------------------------------------\n SUBROUTINE FMINV( X,F,N,FVEC, CT, CS, IMW, M )\n\nC Description:\nC Returns f = 0.5 * F*F at X. SR FUNCV(N,X,F) is a fixed-name,\nC user-supplied routine that returns the vector of functions at X.\nC The common block NEWTV communicates the function values back to\nC NEWT.\n\nC Adopted from Numerical Recipes in FORTRAN, Chapter 9.7, 2nd ed.\n\nC Key Subroutines Called: FUNCV\n\nC Revision History:\nC YOJ 07/31/02 changed FUNCTION FMIN to SUBROUTINE FMINV to avoid errors\nC with (some) compilers\nC SH 02/10/10 renamed NCVAP to n_oa. Value is inherited from SOA_DEFN.\n\n IMPLICIT NONE\n\n INTEGER N\n\n REAL X( * ), F\n REAL :: FVEC( N ), CT( N ), CS( N ), IMW( N ), M\n\n INTEGER I\n REAL SUM\n CALL FUNCV( N, X, FVEC, CT, CS, IMW, M )\n SUM = 0.0\n DO I = 1, N\n SUM = SUM + FVEC( I ) ** 2\n END DO\n F = 0.5 * SUM\n RETURN\n END SUBROUTINE FMINV\n\nC-----------------------------------------------------------------------\n SUBROUTINE FUNCV( N, X, FVEC, CT, CS, IMW, M )\n\nC Description:\nC From Equation (8) of Schell et al., 2001:\nC Caer,i = Ctot,i - Csat,i * (Caer,i/MWi) /\nC ( sum_j (Caer,j/MWj) + Cinit/MWinit)\nC Let Xi = Caer,i\nC a_i = 1 / MWi\nC M = Cinit/MWinit\nC CTi = Ctot,i\nC CSi = Csat,i\nC Then,\nC Xi = CTi - CSi * (a_i * Xi) / ( sum_j (a_j * Xj) + M )\nC\nC Multiply above equation by sum_j(a_j*Xj) + M and group terms\nC a_i Xi^2 + ( sum_jnei (a_j*Xj) + M + CSi*a_i - CTi*a_i ) Xi\nC - CTi * ( sum_jnei (a_j*Xj) + M ) = 0\nC\nC This equation is of the form F(X) = a_i*Xi^2 + b_i*Xi + c_i = 0.\nC F(X) is stored as FVEC in this subroutine.\nC\nC See also FDJAC.\n\nC Key Subroutines Called: none\n\nC Revision History:\nC CGN 01/12/04 Added documentation, removed extraneous lines of code\nC SH 02/10/10 renamed NCVAP to n_oa. Value is inherited from SOA_DEFN\n\nC References:\nC 1. Schell, B., I. J. Ackermann, H. Hass, F. S. Binkowski, and\nC A. Abel, Modeling the formation of secondary organic aerosol\nC within a comprehensive air quality modeling system, J. Geophys.\nC Res., Vol 106, No D22, 28275-28293, 2001.\n\n IMPLICIT NONE\n\n INTEGER N\n REAL X( * )\n REAL FVEC( N )\n\n REAL CT( N )\n REAL CS( N )\n REAL IMW( N )\n REAL M\n\n INTEGER I, J\n REAL SUM_JNEI\n REAL A( N )\n REAL B( N )\n REAL C( N )\n\n DO I = 1, N\n A( I ) = IMW( I )\n SUM_JNEI = 0.0\n DO J = 1, N\n SUM_JNEI = SUM_JNEI + X( J ) * IMW( J )\n END DO\n SUM_JNEI = SUM_JNEI - ( X( I ) * IMW( I ) )\n B( I ) = SUM_JNEI + M + ( CS( I ) - CT( I ) ) * IMW( I )\n C( I ) = -CT( I ) * ( SUM_JNEI + M )\n FVEC( I ) = X( I ) * ( A( I ) * X( I ) + B( I ) ) + C( I )\n END DO\n\n RETURN\n END SUBROUTINE FUNCV\n\nC-----------------------------------------------------------------------\n SUBROUTINE LNSRCH( CTOT,\n & N, XOLD, FOLD, G, P,\n & X, F, STPMAX, TOLX, CHECK, FVEC,\n & CT, CS, IMW, M )\n\nC Description:\nC Given an n-dimensional point XOLD(1:N), the value of the function\nC and gradient there, FOLD and G(1:N), and a direction P(1:N),\nC finds a new point X(1:N) along the direction P from XOLD where\nC the function FUNC has decreased 'sufficiently'. The new function\nC value is returned in F. STPMAX is an input quantity that limits\nC the length of the steps so that you do not try to evaluate the\nC function in regions where it is undefined or subject to overflow.\nC P is usually the Newton direction. The output quantity CHECK is\nC false on a normal exit. It is true when X is too close to XOLD.\nC In a minimization algorithm, this usually signals convergence and\nC can be ignored. However, in a zero-finding algorithm the calling\nC program should check whether the convergence is spurious.\nC\nC Adopted from Numerical Recipes in FORTRAN, Chapter 9.7, 2nd ed.\n\nC Key Subroutines Called: FUNCV\n\nC Revision History:\nC SH 02/10/10 added TOLX to the call vector. In previous versions, this\nC parameter was declared in the Module SOA_NEWT (which contained this\nC subroutine).\n\n IMPLICIT NONE\n\n INTEGER N\n REAL TOLX\n LOGICAL CHECK\n REAL F, FOLD, STPMAX\n REAL G( N ), P( N ), X( N ), XOLD( N )\n REAL CTOT( N )\n REAL, PARAMETER :: ALF = 1.E-04\n REAL, PARAMETER :: CONMIN = 1.E-30\n REAL :: FVEC( N ), CT( N ), CS( N ), IMW( N ), M\n\n INTEGER I\n REAL A, ALAM, ALAM2, ALAMIN, B, DISC\n REAL F2, FOLD2, RHS1, RHS2, SLOPE\n REAL SUM, TEMP, TEST, TMPLAM\n\n CHECK = .FALSE.\n SUM = 0.0\n DO I = 1, N\n SUM = SUM + P( I ) * P( I )\n END DO\n SUM = SQRT( SUM )\n IF ( SUM .GT. STPMAX ) THEN\n DO I = 1, N\n P( I ) = P( I ) * STPMAX / SUM\n END DO\n END IF\n SLOPE = 0.0\n DO I = 1, N\n SLOPE = SLOPE + G( I ) * P( I )\n END DO\n TEST = 0.0\n DO I = 1, N\n TEMP = ABS( P( I ) ) / MAX( ABS( XOLD( I ) ), 1.0 )\n IF ( TEMP .GT. TEST ) TEST = TEMP\n END DO\n ALAMIN = TOLX / TEST\n ALAM = 1.0\n\n101 CONTINUE\n\nC avoid negative concentrations and set upper limit given by CTOT.\n\n DO I = 1, N\n X( I ) = XOLD( I ) + ALAM * P( I )\n IF ( X( I ) .LE. 0.0 ) X( I ) = CONMIN\n IF ( X( I ) .GT. CTOT( I ) ) X( I ) = CTOT( I )\n END DO\n CALL FMINV( X,F,N,FVEC,CT,CS,IMW,M )\n IF ( ALAM .LT. ALAMIN ) THEN\n DO I = 1, N\n X( I ) = XOLD( I )\n END DO\n CHECK = .TRUE.\n RETURN\n ELSE IF ( F .LE. FOLD + ALF * ALAM * SLOPE ) THEN\n RETURN\n ELSE\n IF ( ALAM .EQ. 1.0 ) THEN\n TMPLAM = -SLOPE / ( 2.0 * ( F - FOLD - SLOPE ) )\n ELSE\n RHS1 = F - FOLD - ALAM * SLOPE\n RHS2 = F2 - FOLD2 - ALAM2 * SLOPE\n A = ( RHS1 / ALAM ** 2 - RHS2 / ALAM2 ** 2 ) / ( ALAM - ALAM2 )\n B = ( -ALAM2 * RHS1 / ALAM ** 2 + ALAM * RHS2 / ALAM2 ** 2 )\n & / ( ALAM - ALAM2 )\n IF ( A .EQ. 0.0 ) THEN\n TMPLAM = -SLOPE / ( 2.0 * B )\n ELSE\n DISC = B * B - 3.0 * A * SLOPE\n TMPLAM = ( -B + SQRT( DISC ) ) / ( 3.0 * A )\n END IF\n IF ( TMPLAM .GT. 0.5 * ALAM ) TMPLAM = 0.5 * ALAM\n END IF\n END IF\n ALAM2 = ALAM\n F2 = F\n FOLD2 = FOLD\n ALAM = MAX( TMPLAM, 0.1 * ALAM )\n GO TO 101\n\n END SUBROUTINE LNSRCH\n\nC-----------------------------------------------------------------------\n SUBROUTINE LUBKSB( A, N, INDX, B )\n\nC Description:\nC Solves the set of N linear equations A * X = B. Here A is input,\nC not as the matrix A but rather as its LU decomposition,\nC determined by the routine LUDCMP. B(1:N) is input as the right-\nC hand side vector B, and returns with the solution vector X. A, N,\nC and INDX are not modified by this routine and can be left in\nC place for successive calls with different right-hand sides B.\nC This routine takes into account the possibility that B will begin\nC with many zero elements, so it is efficient for use in matrix\nC inversion.\nC\nC Adopted from Numerical Recipes in FORTRAN, Chapter 2.3, 2nd ed.\nC\nC Key Subroutines Called: none\nC\nC Revision History:\nC call vector modified to remove NCVAP and set dimensions to N.\n\n IMPLICIT NONE\n\n INTEGER N, INDX( N )\n REAL A( N,N ), B( N ) ! A now has dimension NxN.\n\n INTEGER I, II, J, LL\n REAL SUM\n\n II = 0\n DO I = 1, N\n LL = INDX( I )\n SUM = B( LL )\n B( LL ) = B( I )\n IF ( II .NE. 0 ) THEN\n DO J = II, I-1\n SUM = SUM - A( I,J ) * B( J )\n END DO\n ELSE IF ( SUM .NE. 0 ) THEN\n II = I\n END IF\n B( I ) = SUM\n END DO\n DO I = N, 1, -1\n SUM = B( I )\n DO J = I+1, N\n SUM = SUM - A( I,J ) * B( J )\n END DO\n B( I ) = SUM / A( I,I )\n END DO\n\n RETURN\n END SUBROUTINE LUBKSB\n\nC-----------------------------------------------------------------------\n SUBROUTINE LUDCMP( A, N, INDX, D )\n\nC Description:\nC Given a matrix A(1:N,1:N), with physical dimension N by N, this\nC routine replaces it by the LU decomposition of a rowwise\nC permutation of itself. A and N are input. A is output arranged as\nC in equation (2.3.14) above; INDX(1:N) is an output vector that\nC records vector that records the row permutation effected by the\nC partial pivoting; D is output as +-1 depending on whether the\nC number of row interchanges was even or odd, respectively. This\nC routine is used in combination with SR LUBKSB to solve linear\nC equations or invert a matrix.\nC\nC Adopted from Numerical Recipes in FORTRAN, Chapter 2.3, 2nd ed.\n\nC Equation (2.3.14) Numerical Recipes, p 36:\nC | b_11 b_12 b_13 b_14 |\nC | a_21 b_22 b_23 b_24 |\nC | a_31 a_32 b_33 b_34 |\nC | a_41 a_42 a_43 b_44 |\n\nC Key Subroutines Called: None\n\nC Revision History:\nC call vector modified to remove NCVAP\nC all dimensions now depend upon N only\n\n IMPLICIT NONE\n\n INTEGER N, INDX( N )\n! INTEGER NMAX\n! PARAMETER ( NMAX = 10 ) ! largest expected N\n REAL D, A( N,N ) ! note that A now has dimension NxN\n ! NCVAP is ignored\n REAL, PARAMETER :: TINY = 1.0E-20\n\n INTEGER I, IMAX, J, K\n REAL AAMAX, DUM, SUM, VV( N )\n\n D = 1.0\n DO I = 1, N\n AAMAX = 0.0\n DO J = 1, N\n IF ( ABS(A( I,J ) ) .GT. AAMAX ) AAMAX = ABS( A( I,J ) )\n END DO\n IF ( AAMAX .EQ. 0.0 ) THEN\n WRITE( *,'(a)' ) '*** Singular matrix in ludcmp!'\n END IF\n VV( I ) = 1.0 / AAMAX\n END DO\n DO J = 1, N\n DO I = 1, J-1\n SUM = A( I,J )\n DO K = 1, I-1\n SUM = SUM - A( I,K ) * A( K,J )\n END DO\n A( I,J ) = SUM\n END DO\n AAMAX = 0.0\n DO I = J, N\n SUM = A( I,J )\n DO K = 1, J-1\n SUM = SUM - A( I,K ) * A( K,J )\n END DO\n A( I,J ) = SUM\n DUM = VV( I ) * ABS( SUM )\n IF ( DUM .GE. AAMAX ) THEN\n IMAX = I\n AAMAX = DUM\n END IF\n END DO\n IF ( J .NE. IMAX ) THEN\n DO K = 1, N\n DUM = A( IMAX,K )\n A( IMAX,K ) = A( J,K )\n A( J,K ) = DUM\n END DO\n D = -D\n VV( IMAX ) = VV( J )\n END IF\n INDX( J ) = IMAX\n IF ( A( J,J ) .EQ. 0.0 ) A( J,J ) = TINY\n IF ( J .NE. N ) THEN\n DUM = 1.0 / A( J,J )\n DO I = J+1, N\n A( I,J ) = A( I,J ) * DUM\n END DO\n END IF\n END DO\n\n RETURN\n END SUBROUTINE LUDCMP\n\nC-----------------------------------------------------------------------\n Function soabisect( lowerb, upperb, nonvolmol, n, cstaratt, totsemivol,\n & mlwt) RESULT ( nroot )\n\nC Determines the root of an equation, nroot, that is located\nC between the lowerb and upperb. The equation of interest is defined\nC in the function soaequation. Before calling soabisect, the threshold \nC for SOA should have already been checked which should ensure a solution.\nC The recommended lower bound is the number of moles of nonvolatile aerosol\nC and the recommended upper bound is the total number of organic moles\nC\nC History\nC Created 7/2011 by HOT Pye\n\n Use utilio_defn\n Use runtime_vars, only: logdev\n\n\n Implicit None\n\nC Function arguments\n Real, Intent(IN) :: lowerb, upperb ! lower bound, upper bound \n Real, Intent(IN) :: nonvolmol ! nonvolatile aerosol in moles = POA + non-voltile SOA\n Integer, Intent(IN) :: n\n Real, Intent(IN) :: cstaratt(n) ! Cstars at T of interest\n Real, Intent(IN) :: totsemivol(n) ! total semivolatile to partition in ug/m3 (gas+aer+newlyformed)\n Real, Intent(IN) :: mlwt(n) ! molecular weight of semivolatiles \n\nC Parameters for solution convergenc\n Real :: FRACTOL = 1.0e-6 ! Solution converged if abs(old-new)/new < FRACTOL\n! Real :: ABSTOL = 1.0e-10 ! Solution converged if there are less than ABSTOL umol/m3 in aerosol\n Real :: ABSTOL = 1.0e-08 ! Solution converged if there are less than ABSTOL umol/m3 in aerosol\n\nC Result\n Real :: nroot ! solution (final nguess)\n\nC Local variables\n Real :: nguess ! current guess for total moles organic aerosol\n Real :: oldn, lower, upper, flower, fnguess ! intermediate values\n Real :: fupper ! function evaluated at upper bound\n Real :: ea ! difference b/w old and new guesses (umol/m3)\n Real :: test ! to detect sign change\n Integer :: iter ! counter to prevent infinite loops\n Character( 120 ) :: xmsg\n\nC Store current lower and upper bound, evaluate at lower bound \n lower = lowerb\n upper = upperb\n flower = soaequation( nonvolmol, n, cstaratt, totsemivol, mlwt, lowerb )\n fupper = soaequation( nonvolmol, n, cstaratt, totsemivol, mlwt, upperb )\n\nC First guess: solution at upperb\n nguess = upperb\n\nC Counter of iterations to prevent infinite loops\n iter = 0\n\nC Iterate until the number of moles changes by less than fractol (percent) or\nC abstol (absolute) amount\n Do\n\n If ( flower * fupper .gt. 0.0 ) Then\n ! function does not change sign between bounds\n#ifdef verbose_soa\n nroot = soabisect_debug(lowerb, upperb, nonvolmol, cstaratt, totsemivol, mlwt)\n#endif\n Write( xmsg,'(a,2(1pe15.5))' )\n & 'Error: no solution between bounds in soa bisection:', flower, fupper\n Call m3exit( pname, 0, 0, xmsg, xstat3)\n End If\n\n iter = iter + 1\n oldn = nguess ! store last guess\n nguess = ( lower + upper ) / 2.0e0 ! new guess is halfway b/w old lower and upper\n fnguess = soaequation( nonvolmol, n, cstaratt, totsemivol, mlwt, nguess ) ! function evaluated at new guess\n If ( nguess .ne. 0.0 ) Then ! safe division\n ea = Abs( nguess - oldn ) / nguess ! fractional diff b/w 2 guesses\n Else\n#ifdef verbose_soa\n nroot = soabisect_debug(lowerb, upperb, nonvolmol, cstaratt, totsemivol, mlwt)\n Write( xmsg,'(a,1pe15.5)' )\n & 'Warning: number of organic aerosol moles going to zero in soa bisection:',\n & nroot\n#else\n xmsg = 'Warning: number of organic aerosol moles going to zero in soa bisection'\n#endif\n Call m3exit( pname, 0, 0, xmsg, xstat3 )\n End If\n\n test = fnguess * flower\n If ( test .Lt. 0.0 ) Then ! if function changes sign b/w guess and lower, guess becomes upper\n upper = nguess\n fupper = fnguess\n Else If ( test .Gt. 0.0 ) Then ! if function does not change sign, guess becomes lowerbound\n lower = nguess\n flower = fnguess\n Else If ( flower .Eq. 0.0 ) Then ! if the lower bound is the root\n ea = 0.0\n nguess = lower\n fnguess = flower\n Else If ( fnguess .Eq. 0.0 ) Then ! guess is the root\n ea = 0.0\n End If\n\n ! solution found if error is less than ABSTOL/100 % or N bounded by values less than ABSTOL\n If ( ( ea .Lt. FRACTOL ) .Or. ( ( upper + lower ) .Lt. ABSTOL ) ) Then\n nroot = nguess\n ! double check that the function is approximately zero\n fnguess = soaequation( nonvolmol, n, cstaratt, totsemivol, mlwt, nguess ) ! function evaluated at new guess\n If ( Abs( fnguess ) .Gt. 1.0e-03 ) Then\n! pfc = pfc + 1\n#ifdef verbose_soa\n nroot = soabisect_debug(lowerb, upperb, nonvolmol, cstaratt, totsemivol, mlwt)\n! Write( xmsg,'(a,2(1pe15.5,i8))' )\n! & 'Warning: possible false convergence in soa bisection:', fnguess, nroot, pfc\n Write( xmsg,'(a,2(1pe15.5))' )\n & 'Warning: possible false convergence in soa bisection:', fnguess, nroot\n Call m3warn( pname, 0, 0, xmsg )\n#else\n xmsg = 'Warning: possible false convergence in soa bisection'\n#endif\n! Call m3warn( pname, 0, 0, xmsg )\n End If\n\n Return\n End If\n\n If ( iter .Gt. 1000000 ) Then ! stop infinite loop\n#ifdef verbose_soa\n nroot = soabisect_debug(lowerb, upperb, nonvolmol, cstaratt, totsemivol, mlwt)\n Write( xmsg,'(a,i9,1pe15.5)' )\n & 'Error: too many iterations in soa bisection', iter, nroot\n#else\n xmsg = 'Error: too many iterations in soa bisection'\n#endif\n Call m3exit( pname, 0, 0, xmsg, xstat3 )\n End If\n End Do\n\n End Function soabisect\n\nC-----------------------------------------------------------------------\n Function soaequation( nonvmol, n, cstar, semivol, mlwt, currentN ) Result ( eqnerror )\n\nC Evaluates the following function of total aerosol moles, N\nC Function evaluates to zero at equilibrium \nC \nC totalsemivol_i mols nonvolatile POA + SOA\nC f(N) = sum_i ( ---------------- ) + --------------------------- - 1.0 \nC cstar_i + mw_i*N N\nC\nC History\nC Created 7/2011 HOT Pye\n Use runtime_vars, only: logdev\n\n Implicit None\n\nC Function inputs and output\n Real, INTENT(IN) :: nonvmol, currentN ! nonvolatile moles, total moles\n Integer, INTENT(IN) :: n ! number of semivolatile species\n Real, INTENT(IN) :: mlwt(:) ! molecular weights of semivolatiles\n Real, INTENT(IN) :: semivol(:), cstar(:) ! semivolatile mass, sat conc in ug/m3\n Real :: eqnerror ! result, deviation from 0.0 in equation\n\nC Local variables\n Real :: temptot ! temporary total\n Integer :: i ! counter\n\nC Compute function value for current value of N \n temptot = 0.0e0\n Do i = 1, n\n temptot = temptot + semivol(i) / ( cstar(i) + mlwt(i) * currentN )\n End Do\n eqnerror = temptot + nonvmol / currentN - 1.0e0\n\n End function soaequation\n\nC-----------------------------------------------------------------------\n Function soabisect_debug( lowerb, upperb, nonvolmol, n, cstaratt, totsemivol,\n & mlwt) RESULT ( nroot )\n\n Use utilio_defn\n Use runtime_vars\n\n Implicit None\n\nC Function arguments\n Real, Intent(IN) :: lowerb, upperb ! lower bound, upper bound\n Real, Intent(IN) :: nonvolmol ! nonvolatile aerosol in moles = POA + non-voltile SOA\n Integer, Intent(IN) :: n ! Number of semivolatile species\n Real, Intent(IN) :: cstaratt(:) ! Cstars at T of interest\n Real, Intent(IN) :: totsemivol(:) ! total semivolatile to partition in ug/m3 (gas+aer+newlyformed)\n Real, Intent(IN) :: mlwt(:) ! molecular weight of semivolatiles\n\nC Parameters for solution convergenc\n Real :: FRACTOL = 1.0e-6 ! Solution converged if abs(old-new)/new < FRACTOL\n Real :: ABSTOL = 1.0e-10 ! Solution converged if there are less than ABSTOL umol/m3 in aerosol\n\nC Result\n Real :: nroot ! solution (final nguess)\n\nC External functions:\n\nC Local variables\n Logical, Save :: first_time = .True.\n\n Real :: nguess ! current guess for total moles organic aerosol\n Real :: oldn, lower, upper, flower, fnguess ! intermediate values\n Real :: fupper ! function evaluated at upper bound\n Real :: ea ! difference b/w old and new guesses (umol/m3)\n Real :: test ! to detect sign change\n Integer :: iter ! counter to preventinfinite loops\n Character( 120 ) :: xmsg\n\n If ( first_time ) Then\n first_time = .False.\n End If\n\nC Store current lower and upper bound, evaluate at lower bound\n lower = lowerb\n upper = upperb\n flower = soaequation( nonvolmol, n, cstaratt, totsemivol, mlwt, lowerb )\n fupper = soaequation( nonvolmol, n, cstaratt, totsemivol, mlwt, upperb )\n\nC First guess: solution at upperb\n nguess = upperb\n\nC Counter of iterations to prevent infinite loops\n iter = 0\n\nC Iterate until the number of moles changes by less than fractol\nC (percent) or abstol (absolute) amount\n Do\n\n If ( flower * fupper .Gt. 0.0 ) Then\n ! function does not change sign between bounds\n xmsg = 'Error: no solution between bounds in soa bisection'\n Write( logdev,* ) xmsg\n End If\n\n iter = iter + 1\n oldn = nguess ! store last guess\n nguess = ( lower + upper ) / 2.0e0 ! new guess is halfway b/w old lower and upper\n fnguess = soaequation( nonvolmol, n, cstaratt, totsemivol, mlwt, nguess ) ! function evaluated at new guess\n\n Write( logdev,* ), 'iter ', iter\n Write( logdev,* ), 'Lower= ', lower, flower\n Write( logdev,* ), 'Upper= ', upper, fupper\n Write( logdev,* ), 'Guess= ', nguess, fnguess\n\n If ( nguess .Ne. 0.0 ) Then ! safe division\n ea = ABS( nguess - oldn )/nguess ! fractional diff b/w 2guesses\n Else\n xmsg = 'Error: number of organic aerosol moles going to zero in soa bisection'\n Write( logdev,* ) xmsg\n End If\n\n Write( logdev,* ) 'error', ea\n test = fnguess * flower\n If ( test .Lt. 0.0 ) Then ! if function changes sign b/w guess and lower, guess becomes upper\n upper = nguess\n fupper = fnguess\n Else If ( test .Gt. 0.0 ) Then ! if function does not change sign, guess becomes lowerbound\n lower = nguess\n flower = fnguess\n Else If ( flower .Eq. 0.0 ) Then ! if the lower bound is the root\n ea = 0.0\n nguess = lower\n fnguess = flower\n Else If ( fnguess .Eq. 0.0 ) Then ! guess is the root\n ea = 0.0\n End If\n\n ! solution found if error is less than ABSTOL/100 % or N bounded\n ! by values less than 1e-08\n If ( ( ea .Lt. FRACTOL ) .Or. ( ( upper + lower ) .Lt. ABSTOL ) ) then\n nroot = nguess\n ! double check that the function is approximately zero\n fnguess = soaequation( nonvolmol, n, cstaratt, totsemivol, mlwt, nguess ) ! function evaluated at new guess\n If ( Abs( fnguess ) .Gt. 1.0e-03 ) Then\n xmsg = 'Warning: possible false convergence in soa bisection'\n Write( logdev,* ) xmsg\n End If\n\n Return\n End If\n\n If ( iter .Gt. 1000000 ) Then ! stop infinite loops\n !print*,'current lower, upper, and N: ',lower, upper, nguess\n xmsg = 'Error: too many iterations in soa bisection'\n Write( logdev,* ) xmsg\n End If\n End Do\n\n End Function soabisect_debug\n\n!-----------------------------------------------\n\n Function activityw( rh, temp, dtot ) result( aw )\n\nC Function calculates the activity of water\nC over an aqueous solution droplet of specified diameter\nC Equation 1 of Petters and Kreidenweis 2007 ACP:\nC\nC -4*surftens*Mw\nC aw = RH * exp( ---------------)\nC R*T*dens*D\nC\nC The diameter is the wet, volume equivalent, diameter of the particle.\n\n Implicit None\n \n Include SUBST_CONST ! common constants\n\nC Function arguments\n Real rh ! RH between 0.005, 0.99 [fraction]\n Real temp ! temperature [K]\n Real dtot ! volume equivalent diameter of entire particle [m]\n\nC Function return value\n Real aw ! activity of water [fraction]\n\nC Local variables\n Real partialaw ! intermediate value\n\nC Parameters\n Real, Parameter :: surftens = 0.072e0 ! surface tension of water [J/m2]\n Real, Parameter :: mwtwater = 0.018e0 ! molecular weight of water [kg/mol]\n Real, Parameter :: denswater = 1000e0 ! density of water [kg/m3]\n\nC Calculations\n partialaw = 4.0*surftens*mwtwater/(rgasuniv*temp*denswater)\n aw = rh / exp( partialaw/dtot )\n\n End Function activityw\n\n!-----------------------------------------------\n\n End Module soa_defn\n" }, { "path": "CCTM/src/aero/aero6/aero_driver.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC >>> 08/04/2000 Changes necessary to be able to read and process\nC two different types of emissions files.\nC the first type is the existing opperational PM2.5 & PM10 unspeciated\nC file. The new file format has speciated emissions.\nC >>> This version uses the FORTRAN 90 feature for runtime memory\nC allocation.\n\nC 1/12/99 David Wong at LM:\nC -- introduce new variable MY_NUMBLKS (eliminate NUMBLKS)\nC -- re-calculate NOXYZ accordingly\nC FSB Updated for inclusion of surface area / second moment\nC 25 Sep 00 (yoj) various bug fixes, cleanup to coding standards\nC Jeff - Dec 00 - move CGRID_MAP into f90 module\nC FSB/Jeff - May 01 - optional emissions processing\nC Jerry Gipson - Jun 01 - added SOA linkages for saprc99\nC Bill Hutzell - Jun 01 - simplified CBLK mapping\nC Jerry Gipson - Jun 03 - modified for new soa treatment\nC Jerry Gipson - Aug 03 - removed SOA prod form alkenes & added\nC emission adjustment factors for ALK & TOL ( RADM2 & SAPRC99 only)\nC Shawn Roselle - Jan 04\nC - removed SOA from transported aerosol surface area\nC - fixed bug in calculation of wet parameters. Previously, DRY aerosol\nC parameters were being written to the AERDIAG files and mislabeled\nC as WET.\nC Prakash Bhave - May 04\nC - changed AERODIAG species (added RH; removed M0 & M2dry)\nC Jeff Young - Jan 05 - dyn alloc\nC - establish both horizontal & vertical domain specifications in one module\nc Uma Shankar and Prakash Bhave - Jun 05\nc - added code to handle the following species: ANAI, ANAJ, ANAK, ACLI,\nc ACLJ, ACLK, ASO4K, AH2OK, ANO3K, and HCL; removed code for ASEAS\nc - removed obsolete MW variables\nC Prakash Bhave - Jul 05 - added PM25 mass-fraction calculations\nC Jeff Young - Feb 06 - trap fractional humidity above 0.005\nC Prakash Bhave - Apr 06 - added GAMMA_N2O5 to the AEROPROC call vector\nC and the aerosol diagnostic file\nC Prakash Bhave - May 06 - changed units of DG variables from m to um in\nC the aerosol diagnostic file as suggested by Dr. Bill Hutzell\nC Sergey Napelenok - Sep 07 - SOA updates\nC - added code to handle the following species: AALKJ, ATOL1J, ATOL2J,\nC ATOL3J, AXYL1J, AXYL2J, AXYL3J, ABNZ1J, ABNZ2J, ABNZ3J, AISO1J, AISO2J,\nC AISO3J, ATRP1J, ATRP2J, ASQTJ, AORGCJ, TOLNRXN, TOLHRXN, XYLNRXN,\nC XYLHRXN, BNZNRXN, BNZHRXN, ISOPRXN, and SESQRXN\nC - removed following species: AORGAI, AORGAJ, AORGBI, AORGBJ, OLIRXN,\nC CSLRXN, TOLRXN, XYLRXN\nC Prakash Bhave - Oct 07 - SOA updates\nC - added semi-volatile vapors to the CBLK array; moved ppm -> ug/m3 unit\nC conversion from the ORGAER subroutine to this program\nC - updated definition of DRY aerosol to include nonvolatile SOA species\nC - removed adjustment factors for TOLAER (SPTOL, RDTOL) because benzene is\nC now an explicit species so all of the reacted TOL can produce SOA\nC - removed code to handle TERPSP (obsolete); renamed TERPRXN as TRPRXN\nC David Wong - Jan 08 - rearranged calculation of dry 3rd moments to avoid\nC NaN on some compilers (using the M3SUBT variable)\nC Prakash Bhave - Jan 08 - updated MECHNAME check from AE4 to AE5\nC Golam Sarwar - Mar 08 - added a heterogeneous reaction producing HONO\nC Jim Kelly - Apr 08 - coarse mode updates\nC - added code to account for new species (ANH4K & SRFCOR) and variable\nC coarse std. deviation\nC - removed MW coding now located in AERO_INFO.f\nC - added FIXED_sg flag for call to GETPAR\nC Jeff Young - Aug 10 - convert for Namelist redesign (replace include files)\nC Steve Howard - Mar 11 - Renamed met_data to aeromet_data\nC S.Roselle- Mar 11 - replaced I/O API include files with UTILIO_DEFN\nC David Wong - Aug 11 - put in twoway model implementation\nC David Wong - Oct 11 - extended the twoway implementation to handle finer\nC time resolution\nC\nC Bill Hutzell - Sept 13 - inserted module for AEROSOL_CHEMISTRY to support\nC diagnostic outputs on reaction gamma and yield \nC values \nC HOT Pye - Jan 13 - Additional information for IEPOX aerosol \nC written to AERODIAG file\nC David Wong - Aug 15 - Used IO_PE_INCLUSIVE rather than MYPE to facilitate\nC parallel I/O implementation\nC - Used a new logical variable, FIRST_CTM_VIS_1 to\nC determine when to open CTM_VIS_1 \nC B.Hutzell 22 Feb 16 - Added test to determine to write diagnostics from aerosol\nC chemistry\nC H Pye and B Murphy April 2016 - Updated dry/wet moment process to use\nC Extract_aero and Update_aero for getting moment/saving surface area\nC D. Wong 10 May 2016 - added calculation of average PMDIAG species w.r.t.\nC environment variable CTM_PMDIAG, APMDIAG_BLEV_ELEV, \nC and AVG_PMDIAG_SPCS\nC - added calculation of average visibility species w.r.t.\nC environment variable CTM_AVISDIAG\nC - renamed AERODIAM to PMDIAG and CTM_AERDIAG to CTM_PMDIAG\nC - added flexibility to handle AE6 and AE6i\nC - renamed DIAM to PMDIAG\nC D. Wong 19 May 2016 - renamed ACONC_END_TIME to AVG_FILE_ENDTIME\nC - updated the way to define NUM_PMDIAG_SPC\nC - set CTM_PMDIAG default value to .TRUE.\nC D. Wong 31 Jan 2019 - adopted the idea to process all twoway related environment\nC variables in one place\nC 1 Feb 19 David Wong: Implemented centralized I/O approach, removed all MY_N\nC clauses\nC 1 Aug 19 David Wong: Added a few more variables in the USE Only blcok for two-way model\nC 30 Dec 19 S. Napelenok: ddm-3d implementation for v 5.3.1\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE AERO ( CGRID, JDATE, JTIME, TSTEP )\n\n USE GRID_CONF, ONLY: NCOLS, NROWS, NLAYS, IO_PE_INCLUSIVE\n USE RXNS_DATA, ONLY: MECHNAME\n USE AERO_DATA, ONLY: COAG_BUDGET, COND_BUDGET, GROWTH_BUDGET, NPF_BUDGET,\n & FIXED_sg, AEROMODE_DIAM, AEROMODE_LNSG, AEROMODE_DENS,\n & MOMENT0_CONC, MOMENT2_CONC, MOMENT3_CONC,\n & AEROSPC, AEROSPC_CONC, N_MODE, AH2O_IDX,\n & EXTRACT_AERO, UPDATE_AERO, CALCMOMENTS\n USE PRECURSOR_DATA, ONLY: SULPRD_IDX, SO4RATE, PRECURSOR_CONC,\n & PHGRXN_IDX, PHG_RATE,\n & EXTRACT_PRECURSOR, UPDATE_PRECURSOR\n USE SOA_DEFN, ONLY: EXTRACT_SOA, UPDATE_ORGVAPOR\n USE AEROMET_DATA, ONLY: AIRTEMP, AIRPRES, AIRQV, AIRDENS, AIRRH, \n & H2OSATVP, H2OVP, MWWAT, MWAIR, SRFTEMP\n USE UTILIO_DEFN, ONLY: XSTAT1, TIME2SEC, SEC2TIME, index1, nextime\n#ifdef twoway\n & , INDEX1, XSTAT3\n#endif\n USE CGRID_SPCS, ONLY: NSPCSD, N_CGRID_SPC\n#ifdef twoway\n & , N_GC_CONC, GC_CONC, GC_STRT, GC_CONC_MAP\n#endif\n USE RUNTIME_VARS, ONLY: LOGDEV, END_TIME\n USE AERO_BUDGET, ONLY: AERO_COAG, AERO_COND, AERO_GROWTH, AERO_NPF\n\n#ifdef twoway\n USE twoway_data_module\n#endif\n use CENTRALIZED_IO_MODULE, only : interpolate_var\n\n#ifdef sens\n USE DDM3D_DEFN, ONLY : NP, NPMAX, SENGRID\n Use aero_ddm3d, ONLY : s_so4rate, s_precursor_conc, s_aerospc_conc, s_phg_rate\n#endif \n\n\n IMPLICIT NONE\n\nC *** Includes:\n\n INCLUDE SUBST_FILES_ID ! file name parameters (req IOPARMS)\n\nC *** Arguments:\n\nC *** CGRID is conc field (including gas and aerosol variables)\n REAL, POINTER :: CGRID( :,:,:,: ) ! concentrations\n INTEGER JDATE ! Current model date , coded YYYYDDD\n INTEGER JTIME ! Current model time , coded HHMMSS\n INTEGER TSTEP( 3 ) ! time step vector (HHMMSS)\n ! TSTEP(1) = local output step\n ! TSTEP(2) = sciproc sync. step (chem)\n ! TSTEP(3) = twoway model time step w.r.t. wrf time\n ! step and wrf/cmaq call frequency\n\nC *** Local Variables:\n\n CHARACTER( 16 ), SAVE :: PNAME = 'AERO_DRIVER'\n CHARACTER( 16 ) :: VNAME ! variable name\n CHARACTER( 96 ) :: XMSG = ' '\n\n INTEGER MDATE, MTIME, MSTEP ! julian date, time and\n ! timestep in sec\n INTEGER C, R, L, V, N ! loop counters\n INTEGER SPC ! species loop counter\n INTEGER STRT, FINI ! loop induction variables\n INTEGER ALLOCSTAT ! memory allocation status\n\n LOGICAL LERROR ! Error flag\n\nC *** Grid Description\n REAL DX1 ! Cell x-dimension\n REAL DX2 ! Cell y-dimension\n\nC *** Variable to set time step for writing visibility file\n INTEGER, SAVE :: WSTEP = 0 ! local write counter\n\nC *** meteorological variables\n REAL PRES ( NCOLS,NROWS,NLAYS ) ! Atmospheric pressure [ Pa ]\n REAL TA ( NCOLS,NROWS,NLAYS ) ! Air temperature [ K ]\n REAL TEMP2 ( NCOLS,NROWS ) ! 2-meter temperature [ K ]\n REAL DENS ( NCOLS,NROWS,NLAYS ) ! Air density [ kg/m**-3 ]\n REAL QV ( NCOLS,NROWS,NLAYS ) ! Water vapor mixing ratio [ kg/kg ]\n\nC *** variables computed and output but not carried in CGRID\n\nC *** atmospheric properties\n REAL XLM ! atmospheric mean free path [ m ]\n REAL AMU ! atmospheric dynamic viscosity [ kg/m s ]\n\nC *** mass fraction of each mode less than Specified Aerodynamic Diameters\n REAL fPM1 ( N_MODE ) ! PM1 fraction\n REAL fPM25( N_MODE ) ! PM2.5 fraction\n REAL fPM10( N_MODE ) ! PM10 fraction\n REAL fAMS ( N_MODE ) ! AMS Transmission Fraction\n\nC *** visual range information\n REAL BLKDCV1 ! block deciview (Mie)\n REAL BLKEXT1 ! block extinction [ km**-1 ] (Mie)\n\n REAL BLKDCV2 ! block deciview (Reconstructed)\n REAL BLKEXT2 ! block extinction [ km**-1 ] (Reconstructed)\n\n\nC *** other internal aerosol variables\n INTEGER IND ! index to be used with INDEX1\n INTEGER IM\n\nC *** synchronization time step [ s ]\n REAL DT\n\nC *** variables to set up for \"dry transport \"\n REAL M3_WET( N_MODE ), M3_DRY( N_MODE ) ! third moment with and without water\n REAL M2_WET( N_MODE ), M2_DRY( N_MODE ) ! second moment with and without water\n\nC *** variables aerosol diagnostic file flag\n INTEGER STATUS ! ENV... status\n CHARACTER( 80 ) :: VARDESC ! environment variable description\n\nC *** first pass flag\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n\nC *** ratio of molecular weights of water vapor to dry air = 0.622015\n REAL, PARAMETER :: EPSWATER = MWWAT / MWAIR\n\nC *** dry moment factor\n REAL, PARAMETER :: TWOTHIRDS = 2.0 / 3.0\n\n LOGICAL :: TIME_TO_CALL_FEEDBACK_WRITE\n\nC *** Statement Function **************\n REAL ESATL ! arithmetic statement function for vapor pressure [Pa]\n REAL TT\nC *** Coefficients for the equation, ESATL defining saturation vapor pressure\n REAL, PARAMETER :: AL = 610.94\n REAL, PARAMETER :: BL = 17.625\n REAL, PARAMETER :: CL = 243.04\n\n INTEGER, SAVE :: O3\n\nC *** values of AL, BL, and CL are from:\nC Alduchov and Eskridge, \"Improved Magnus Form Approximations of\nC Saturation Vapor Pressure,\"\nC Jour. of Applied Meteorology, vol. 35,\nC pp 601-609, April, 1996.\n\n ESATL( TT ) = AL * EXP( BL * ( TT - 273.15 ) / ( TT - 273.15 + CL ) )\n\nC *** End Statement Function ********\n\n#ifdef twoway\n INTERFACE\n SUBROUTINE FEEDBACK_WRITE (C, R, L, CGRID_DATA, O3_VALUE, JDATE, JTIME)\n REAL, INTENT( IN ) :: CGRID_DATA(:), O3_VALUE\n INTEGER, INTENT( IN ) :: C, R, L, JDATE, JTIME\n END SUBROUTINE FEEDBACK_WRITE\n END INTERFACE\n#endif\n\nC ------------------ begin body of AERO_DRIVER -------------------------\n\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n\n ALLOCATE ( AERO_COND( NCOLS,NROWS,NLAYS,NSPCSD ),\n & AERO_COAG( NCOLS,NROWS,NLAYS,NSPCSD ),\n & AERO_NPF ( NCOLS,NROWS,NLAYS,NSPCSD ),\n & AERO_GROWTH ( NCOLS,NROWS,NLAYS,NSPCSD ),\n & COND_BUDGET( NSPCSD ),\n & COAG_BUDGET( NSPCSD,N_MODE ),\n & NPF_BUDGET( NSPCSD ),\n & GROWTH_BUDGET( NSPCSD ),\n & STAT=ALLOCSTAT)\n\n#ifdef twoway\n! -- this is for twoway\n VNAME = 'O3'\n N = INDEX1( VNAME, N_GC_CONC, GC_CONC )\n IF ( N .NE. 0 ) THEN\n O3 = GC_STRT - 1 + GC_CONC_MAP( N )\n ELSE\n XMSG = 'Could not find ' // VNAME // 'in gas chem aerosol table'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT3 )\n END IF\n#endif\n\n END IF ! FIRSTIME\n\n MDATE = JDATE\n MTIME = JTIME\n MSTEP = TIME2SEC( TSTEP( 2 ) )\n CALL NEXTIME ( MDATE, MTIME, SEC2TIME( MSTEP / 2 ) )\n\nC *** Set floating point synchronization time step:\n DT = FLOAT( MSTEP ) ! set time step in seconds\n\nC *** Get Meteorological Variables\n\nC *** pressure [Pa]\n call interpolate_var ('PRES', mdate, mtime, PRES)\n\nC *** temperature [K]\n call interpolate_var ('TA', mdate, mtime, TA) ! Grid Cell Temp\n call interpolate_var ('TEMP2',mdate, mtime, TEMP2 ) ! 2-m Temp\n\nC *** specific humidity [g H2O/g air]\n call interpolate_var ('QV', mdate, mtime, QV)\n\nC *** air density [kg/m3]\n call interpolate_var ('DENS', mdate, mtime, DENS)\n\n#ifdef twoway\n! call FEEDBACK_WRITE when JTIME is mulitple of WRF time step\n IF ( CMAQ_WRF_FEEDBACK ) THEN\n IF ( MOD( TIME2SEC(MOD( JTIME, 10000 )), TIME2SEC(TSTEP( 3 )) ) .EQ. 0 ) THEN\n TIME_TO_CALL_FEEDBACK_WRITE = .TRUE.\n ELSE\n TIME_TO_CALL_FEEDBACK_WRITE = .FALSE.\n END IF\n END IF\n#endif\n\n! *** Initialize Shared Arrays for Aerosol Budget\n AERO_COND = 0.\n AERO_COAG = 0.\n AERO_NPF = 0.\n AERO_GROWTH = 0.\n\nC --------------------- Begin loops over grid cells --------------------------\n\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n\nC *** Grid cell meteorological data.\n AIRTEMP = TA ( C,R,L )\n SRFTEMP = TEMP2( C,R ) ! 2-meter temperature (K)\n AIRPRES = PRES ( C,R,L ) ! Note pascals\n AIRQV = QV ( C,R,L )\n AIRDENS = DENS ( C,R,L )\n H2OSATVP = ESATL( AIRTEMP )\n H2OVP = AIRPRES * AIRQV / ( EPSWATER + AIRQV )\n AIRRH = MAX( 0.005, MIN( 0.99, H2OVP / H2OSATVP ) ) ! 0-1\n\n! *** Initialize aerosol process variables\n COND_BUDGET = 0.\n COAG_BUDGET = 0.\n NPF_BUDGET = 0.\n GROWTH_BUDGET = 0.\n\nC *** Extract grid cell concentrations of aero species from CGRID\nC into aerospc_conc in aero_data module (set minimum)\n#ifdef sens\n CALL EXTRACT_AERO( CGRID( C,R,L,: ), .TRUE., SENGRID( C,R,L,:,: ), .TRUE. )\n#else\n CALL EXTRACT_AERO( CGRID( C,R,L,: ), .TRUE. )\n#endif\n\nC *** Extract grid cell concentrations of gas precursors from CGRID (ppm)\nC into precursr_conc in precursor_data\n#ifdef sens\n CALL EXTRACT_PRECURSOR( CGRID( C,R,L,: ), SENGRID( C,R,L,:,: ) )\n#else\n CALL EXTRACT_PRECURSOR( CGRID( C,R,L,: ) )\n#endif\n\nC *** Calculate SO4RATE stored in module\n SO4RATE = REAL( PRECURSOR_CONC( SULPRD_IDX ), 4 ) / DT\n#ifdef sens\n DO NP = 1, NPMAX\n S_SO4RATE( NP ) = S_PRECURSOR_CONC( SULPRD_IDX,NP ) / DT\n END DO\n#endif\n IF ( PHGRXN_IDX .GT. 0 ) THEN\nC *** Calculate PHG_RATE stored in module\n PHG_RATE = REAL( PRECURSOR_CONC( PHGRXN_IDX ), 4 ) / DT\n#ifdef sens\n DO NP = 1, NPMAX\n S_PHG_RATE( NP ) = S_PRECURSOR_CONC( PHGRXN_IDX,NP ) / DT\n END DO\n#endif\n ELSE\n PHG_RATE = 0.0\n#ifdef sens\n S_PHG_RATE = 0.0\n#endif\n END IF\n\nC *** Extract soa concentrations from CGRID and \nC convert M2 to wet\n#ifdef sens\n CALL EXTRACT_SOA( CGRID( C,R,L,: ), SENGRID( C,R,L,:,: ), .TRUE. )\n#else\n CALL EXTRACT_SOA( CGRID( C,R,L,: ) )\n#endif\n\nC *** Aerosol process routines\n CALL AEROPROC( DT, C, R, L )\n\nC *** Update aerosol variables conc back into CGRID (set minimum) \nC and convert M2 to dry and save as surface area\n#ifdef sens\n CALL UPDATE_AERO( CGRID( C,R,L,: ), .TRUE., SENGRID(C,R,L,:,: ) )\n#else\n CALL UPDATE_AERO( CGRID( C,R,L,: ), .TRUE. )\n#endif\n\nC *** Update precursor variables conc back into CGRID\n#ifdef sens\n CALL UPDATE_PRECURSOR( CGRID( C,R,L,: ), SENGRID( C,R,L,:,: ) )\n#else\n CALL UPDATE_PRECURSOR( CGRID( C,R,L,: ) )\n#endif\n\nC *** Update gas soa concentrations back to CGRID\n#ifdef sens\n CALL UPDATE_ORGVAPOR( CGRID( C,R,L,: ), SENGRID( C,R,L,:,: ) )\n#else\n CALL UPDATE_ORGVAPOR( CGRID( C,R,L,: ) )\n#endif\n\nC *** OUTPUT DIAGNOSTIC INFORMATION\nC *** Get wet moment info (dry will be converted to wet)\n CALL calcmoments( .true. )\n CALL GETPAR( FIXED_sg ) ! update AEROMODE_DIAM,DENS,SDEV\n\n! *** Calculate 2nd and 3rd moments of the \"dry\" aerosol distribution\n! NOTE! \"dry\" aerosol excludes both H2O and SOA (Jan 2004 --SJR)\n! EXCEPT nonvolatile SOA is part of dry aerosol (Oct 2007 --PVB)\n! CALL CALCMOMENTS( .FALSE. )\n! CALL GETPAR( FIXED_sg ) ! update AEROMODE_DIAM,DENS,SDEV\n\n! *** Collect Aerosol Sub-Process Rates in shared arrays\n DO V = 1,N_CGRID_SPC\n AERO_COAG ( C,R,L,V ) = SUM( COAG_BUDGET( V,: ) )\n AERO_COND ( C,R,L,V ) = COND_BUDGET( V )\n AERO_NPF ( C,R,L,V ) = NPF_BUDGET( V )\n AERO_GROWTH( C,R,L,V ) = GROWTH_BUDGET( V )\n END DO\n#ifdef twoway\n IF ( CMAQ_WRF_FEEDBACK ) THEN\n IF ( TIME_TO_CALL_FEEDBACK_WRITE ) THEN\n CALL FEEDBACK_WRITE ( C, R, L, CGRID(C,R,L,:), CGRID(C,R,L,O3),\n & JDATE, JTIME )\n END IF\n END IF\n#endif\n\n END DO ! loop on COLS\n END DO ! loop on ROWS\n END DO ! loop on NLAYS\n\n RETURN\n END\n" }, { "path": "CCTM/src/aero/aero6/aero_nml_modes.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC-----------------------------------------------------------------------\n Subroutine aero_nml_modes\n \nC This function expands the AE namelist rows to account for \nC mode-specific variables. If just one mode is requested for an \nC aerosol species, then no rows are added. If more than one mode\nC is requested, then rows are added to accomodate those. \nC\nC Ben Murphy 2022-03-25\nC-----------------------------------------------------------------------\n Use aero_data, only : n_aerolist, aerolist, modesuff,\n & iait, iacc, icor, reqd_modes\n Use runtime_vars, only : log_message, log_subheading, logdev,\n & outdev, cmype\n Use cgrid_spcs_types\n Use utilio_defn, only : index1, xstat2, m3exit, m3warn, m3mesg\n\n Implicit None\n\n Type(species_data_reg_2) :: aedat( size( ae_species_data,1 ) )\n Type(species_data_reg_2) :: aedat_mode( size( ae_species_data,1 ) )\n\n integer nsp2, naero\n\n Integer isp, im, iaer, iost\n Character(300) xmsg\n Character(20) :: pname = 'aero_nml_modes'\n Logical eflag\n \n aedat = ae_species_data\n aedat_mode = aedat\n nsp2 = 0\n\n call log_message( LOGDEV,\"\")\n Call log_subheading( LOGDEV, \"Add Modal Dimension to CMAQ Aerosol Species\" )\n call log_message( LOGDEV,\"\")\n\n eflag = .False.\n do isp = 1,size( aedat,1 )\n ! Stop after the last aerosol name\n if ( aedat(isp)%species_name .EQ. '' ) EXIT\n\n ! Get Index on Aerosol Table\n iaer = index1( aedat(isp)%species_name, \n & n_aerolist, aerolist(:)%bulkname )\n\n ! Confirm species is known to CMAQ either in the Aerosol\n ! Table or Particle Number or Surface Area\n if ( iaer .eq. 0 ) then\n if ( trim(aedat(isp)%species_name) .eq. 'NUM' .or.\n & trim(aedat(isp)%species_name) .eq. 'SRF' ) then\n ! Species is a Number or Surface Area Concentration\n if ( aedat(isp)%lait .neqv. reqd_modes(iait) ) then\n xmsg = 'Number or Surface Area must have an Aitken-Mode ' //\n & 'component. Please adjust the aerosol namelist.'\n Call log_message( OUTDEV, 'Error: '//xmsg )\n eflag = .True.\n end if\n\n if ( aedat(isp)%lacc .neqv. reqd_modes(iacc) ) then\n xmsg = 'Number or Surface Area must have an Accumulation-Mode ' //\n & 'component. Please adjust the aerosol namelist.'\n Call log_message( OUTDEV, 'Error: '//xmsg )\n eflag = .True.\n end if\n\n if ( aedat(isp)%lcor .neqv. reqd_modes(icor) ) then\n xmsg = 'Number or Surface Area must have a Coarse-Mode ' //\n & 'component. Please adjust the aerosol namelist.'\n Call log_message( OUTDEV, 'Error: '//xmsg )\n eflag = .True.\n end if\n\n else\n ! Species is not a recognized aerosol chemical species or aerosol\n ! parameter\n xmsg = 'An aerosol chemical species appears on the AE '//\n & 'namelist that is not available in AERO_DATA. Please '//\n & 'see the aerolist table.'\n Call log_message( OUTDEV, 'Error: '//xmsg )\n eflag = .True.\n end if\n else\n\n ! Species is a recognized aerosol chemical species\n if ( aedat(isp)%lait .neqv. aerolist(iaer)%lait ) then\n xmsg = 'Aitken Flag for '//\n & TRIM(aedat(isp)%species_name)//' set incorrectly in the AE namelist.'\n xmsg = Trim( pname ) // ': ' // xmsg\n call m3mesg( xmsg )\n eflag = .True.\n end if\n\n if ( aedat(isp)%lacc .neqv. aerolist(iaer)%lacc ) then\n xmsg = 'Accumulation Flag for '//\n & TRIM(aedat(isp)%species_name)//' set incorrectly in the AE namelist.'\n xmsg = Trim( pname ) // ': ' // xmsg\n call m3mesg( xmsg )\n eflag = .True.\n end if\n\n if ( aedat(isp)%lcor .neqv. aerolist(iaer)%lcor ) then\n xmsg = 'Coarse Flag for '//\n & TRIM(aedat(isp)%species_name)//' set incorrectly in the AE namelist.'\n xmsg = Trim( pname ) // ': ' // xmsg\n call m3mesg( xmsg )\n eflag = .True.\n end if\n end if\n\n if( eflag )then\n xmsg = 'AE Namelist has fatal errors. Check Processor log '\n & // Trim( cmype )\n Call log_message( outdev, 'Error: '//xmsg )\n xmsg = Trim( pname ) // ': ' // xmsg\n call m3mesg( xmsg )\n call m3exit( pname, 0, 0, 'FATAL ERROR', xstat2 )\n end if\n\n ! If no modes are selected, warn and move on\n if ( .not.aedat(isp)%lait .and. \n % .not.aedat(isp)%lacc .and. \n & .not.aedat(isp)%lcor ) then\n xmsg = 'No aerosol modes have been requested for '//\n & TRIM(aedat(isp)%species_name)//' on the AE namelist.' \n call m3warn( pname, 0, 0, xmsg ) \n end if\n\n ! For Aitken-Mode Particles\n if ( aedat(isp)%lait ) then\n if ( aedat(isp)%species_name .eq. 'NUM' .OR. \n & aedat(isp)%species_name .eq. 'SRF' ) THEN\n ! Add Aitken Mode Number or Surface Area\n nsp2 = nsp2 + 1\n aedat_mode(nsp2)%species_name = \n & trim(aedat(isp)%species_name)//'ATKN'\n aedat_mode(nsp2)%depv_surr = \n & trim(aedat(isp)%depv_surr)//'ATKN'\n aedat_mode(nsp2)%scav_surr = \n & trim(aedat(isp)%scav_surr)//'_AITKEN'\n aedat_mode(nsp2)%cloud_surr = \n & trim(aedat(isp)%cloud_surr)//'_AITKEN'\n elseif ( aerolist(iaer)%lait ) then\n ! Add Aitken Mode Mass\n nsp2 = nsp2 + 1\n aedat_mode(nsp2)%species_name = \n & trim(aedat(isp)%species_name)//modesuff(iait)\n aedat_mode(nsp2)%depv_surr = aedat(isp)%depv_surr\n if ( aedat(isp)%depv_surr .ne. '' )\n & aedat_mode(nsp2)%depv_surr = \n & trim(aedat(isp)%depv_surr)//'I'\n aedat_mode(nsp2)%scav_surr = aedat(isp)%scav_surr\n if ( aedat(isp)%scav_surr .ne. '' )\n & aedat_mode(nsp2)%scav_surr = \n & trim(aedat(isp)%scav_surr)//'_AITKEN'\n aedat_mode(nsp2)%cloud_surr = aedat(isp)%cloud_surr\n if ( aedat(isp)%cloud_surr .ne. '' )\n & aedat_mode(nsp2)%cloud_surr = \n & trim(aedat(isp)%cloud_surr)//'_AITKEN'\n else\n ! Mode not allowed for this species. Exit CMAQ\n xmsg = 'Aitken-mode aerosols have been requested for '//\n & TRIM(aedat(isp)%species_name)//\n & ' but they are not available for this species. See '//\n & 'aerolist table in AERO_DATA.'\n Call log_message( outdev, 'Error: '//xmsg )\n call m3exit( pname, 0, 0, xmsg, xstat2 ) \n end if\n \n aedat_mode(nsp2)%molwt = aedat(isp)%molwt\n aedat_mode(nsp2)%lait = .True.\n aedat_mode(nsp2)%lacc = .False.\n aedat_mode(nsp2)%lcor = .False.\n aedat_mode(nsp2)%optics_surr = aedat(isp)%optics_surr\n aedat_mode(nsp2)%ic_surr = aedat(isp)%ic_surr\n aedat_mode(nsp2)%ic_fac = aedat(isp)%ic_fac\n aedat_mode(nsp2)%bc_surr = aedat(isp)%bc_surr\n aedat_mode(nsp2)%bc_fac = aedat(isp)%bc_fac\n aedat_mode(nsp2)%depv_fac = aedat(isp)%depv_fac\n aedat_mode(nsp2)%scav_fac = aedat(isp)%scav_fac\n aedat_mode(nsp2)%trns_flag = aedat(isp)%trns_flag\n aedat_mode(nsp2)%ddep_flag = aedat(isp)%ddep_flag\n aedat_mode(nsp2)%wdep_flag = aedat(isp)%wdep_flag\n aedat_mode(nsp2)%conc_flag = aedat(isp)%conc_flag\n\n xmsg = 'Added an Aitken Mode for Aerosol Species '//\n & trim(aedat_mode(nsp2)%species_name)\n Call log_message( LOGDEV, xmsg )\n \n end if\n\n ! For Accumulation-Mode Particles\n if ( aedat(isp)%lacc ) then\n if ( aedat(isp)%species_name .eq. 'NUM' .OR. \n & aedat(isp)%species_name .eq. 'SRF' ) THEN\n ! Add Accumulation Mode Number or Surface Area\n nsp2 = nsp2 + 1\n aedat_mode(nsp2)%species_name = \n & trim(aedat(isp)%species_name)//'ACC'\n aedat_mode(nsp2)%depv_surr = \n & trim(aedat(isp)%depv_surr)//'ACC'\n aedat_mode(nsp2)%scav_surr = \n & trim(aedat(isp)%scav_surr)//'_ACCUM'\n aedat_mode(nsp2)%cloud_surr = \n & trim(aedat(isp)%cloud_surr)//'_ACCUM'\n elseif ( aerolist(iaer)%lacc ) then\n ! Add Accumulation Mode Mass\n nsp2 = nsp2 + 1\n aedat_mode(nsp2)%species_name = \n & trim(aedat(isp)%species_name)//modesuff(iacc)\n aedat_mode(nsp2)%depv_surr = aedat(isp)%depv_surr\n if ( aedat(isp)%depv_surr .ne. '' )\n & aedat_mode(nsp2)%depv_surr = \n & trim(aedat(isp)%depv_surr)//'J'\n aedat_mode(nsp2)%scav_surr = aedat(isp)%scav_surr\n if ( aedat(isp)%scav_surr .ne. '' )\n & aedat_mode(nsp2)%scav_surr = \n & trim(aedat(isp)%scav_surr)//'_ACCUM'\n aedat_mode(nsp2)%cloud_surr = aedat(isp)%cloud_surr\n if ( aedat(isp)%cloud_surr .ne. '' )\n & aedat_mode(nsp2)%cloud_surr = \n & trim(aedat(isp)%cloud_surr)//'_ACCUM'\n else\n ! Mode not allowed for this species. Exit CMAQ\n xmsg = 'Accumulation-mode aerosols have been requested for '//\n & TRIM(aedat(isp)%species_name)//\n & ' but they are not available for this species. See '//\n & 'aerolist table in AERO_DATA.'\n Call log_message( outdev, 'Error: '//xmsg )\n call m3exit( pname, 0, 0, xmsg, xstat2 ) \n end if\n \n aedat_mode(nsp2)%molwt = aedat(isp)%molwt\n aedat_mode(nsp2)%lait = .False.\n aedat_mode(nsp2)%lacc = .True.\n aedat_mode(nsp2)%lcor = .False.\n aedat_mode(nsp2)%optics_surr = aedat(isp)%optics_surr\n aedat_mode(nsp2)%ic_surr = aedat(isp)%ic_surr\n aedat_mode(nsp2)%ic_fac = aedat(isp)%ic_fac\n aedat_mode(nsp2)%bc_surr = aedat(isp)%bc_surr\n aedat_mode(nsp2)%bc_fac = aedat(isp)%bc_fac\n aedat_mode(nsp2)%depv_fac = aedat(isp)%depv_fac\n aedat_mode(nsp2)%scav_fac = aedat(isp)%scav_fac\n aedat_mode(nsp2)%trns_flag = aedat(isp)%trns_flag\n aedat_mode(nsp2)%ddep_flag = aedat(isp)%ddep_flag\n aedat_mode(nsp2)%wdep_flag = aedat(isp)%wdep_flag\n aedat_mode(nsp2)%conc_flag = aedat(isp)%conc_flag\n \n xmsg = 'Added an Accumulation Mode for Aerosol Species '//\n & trim(aedat_mode(nsp2)%species_name)\n Call log_message( LOGDEV, xmsg )\n end if\n\n ! For Coarse-Mode Particles\n if ( aedat(isp)%lcor ) then\n if ( aedat(isp)%species_name .eq. 'NUM' .OR. \n & aedat(isp)%species_name .eq. 'SRF' ) THEN\n ! Add Coarse Mode Number or Surface Area\n nsp2 = nsp2 + 1\n aedat_mode(nsp2)%species_name = \n & trim(aedat(isp)%species_name)//'COR'\n aedat_mode(nsp2)%depv_surr = \n & trim(aedat(isp)%depv_surr)//'COR'\n aedat_mode(nsp2)%scav_surr = \n & trim(aedat(isp)%scav_surr)//'_COARSE'\n aedat_mode(nsp2)%cloud_surr = \n & trim(aedat(isp)%cloud_surr)//'_COARSE'\n\n elseif ( aerolist(iaer)%lcor ) then\n ! Add Coarse Mode Mass\n nsp2 = nsp2 + 1\n if ( aedat(isp)%species_name .eq. 'ACORS' .OR.\n & aedat(isp)%species_name .eq. 'ASOIL' .OR.\n & aedat(isp)%species_name .eq. 'ASEACAT' .OR.\n & aedat(isp)%species_name .eq. 'ADE_CORS' ) THEN\n aedat_mode(nsp2)%species_name = \n & trim(aedat(isp)%species_name)\n aedat_mode(nsp2)%depv_surr = \n & trim(aedat(isp)%depv_surr)//'C'\n aedat_mode(nsp2)%scav_surr = \n & trim(aedat(isp)%scav_surr)//'_COARSE'\n aedat_mode(nsp2)%cloud_surr = \n & trim(aedat(isp)%cloud_surr)//'_COARSE' \n else \n aedat_mode(nsp2)%species_name = \n & trim(aedat(isp)%species_name)//modesuff(icor)\n aedat_mode(nsp2)%depv_surr = aedat(isp)%depv_surr\n if ( aedat(isp)%depv_surr .ne. '' )\n & aedat_mode(nsp2)%depv_surr = \n & trim(aedat(isp)%depv_surr)//'C'\n aedat_mode(nsp2)%scav_surr = aedat(isp)%scav_surr\n if ( aedat(isp)%scav_surr .ne. '' )\n & aedat_mode(nsp2)%scav_surr = \n & trim(aedat(isp)%scav_surr)//'_COARSE'\n aedat_mode(nsp2)%cloud_surr = aedat(isp)%cloud_surr\n if ( aedat(isp)%cloud_surr .ne. '' )\n & aedat_mode(nsp2)%cloud_surr = \n & trim(aedat(isp)%cloud_surr)//'_COARSE'\n end if\n else\n ! Mode not allowed for this species. Exit CMAQ\n xmsg = 'Coarse-mode aerosols have been requested for '//\n & TRIM(aedat(isp)%species_name)//\n & ' but they are not available for this species. See '//\n & 'aerolist table in AERO_DATA.'\n Call log_message( outdev, 'Error: '//xmsg )\n call m3exit( pname, 0, 0, xmsg, xstat2 ) \n end if\n\n aedat_mode(nsp2)%molwt = aedat(isp)%molwt\n aedat_mode(nsp2)%lait = .False.\n aedat_mode(nsp2)%lacc = .False.\n aedat_mode(nsp2)%lcor = .True.\n aedat_mode(nsp2)%optics_surr = aedat(isp)%optics_surr\n aedat_mode(nsp2)%ic_surr = aedat(isp)%ic_surr\n aedat_mode(nsp2)%ic_fac = aedat(isp)%ic_fac\n aedat_mode(nsp2)%bc_surr = aedat(isp)%bc_surr\n aedat_mode(nsp2)%bc_fac = aedat(isp)%bc_fac\n aedat_mode(nsp2)%depv_fac = aedat(isp)%depv_fac\n aedat_mode(nsp2)%scav_fac = aedat(isp)%scav_fac\n aedat_mode(nsp2)%trns_flag = aedat(isp)%trns_flag\n aedat_mode(nsp2)%ddep_flag = aedat(isp)%ddep_flag\n aedat_mode(nsp2)%wdep_flag = aedat(isp)%wdep_flag\n aedat_mode(nsp2)%conc_flag = aedat(isp)%conc_flag\n \n xmsg = 'Added a Coarse Mode for Aerosol Species '//\n & trim(aedat_mode(nsp2)%species_name)\n Call log_message( LOGDEV, xmsg )\n \n end if\n\n end do\n\n write( xmsg, '(A,I3)' ), 'Total number of aerosol species: ',nsp2\n Call log_message( LOGDEV, '' )\n Call log_message( LOGDEV, xmsg )\n Call log_message( LOGDEV, '' )\n\n ae_species_data(1:nsp2) = aedat_mode(1:nsp2)\n\n End Subroutine aero_nml_modes\nC----------------------------------------------------------------------- \n" }, { "path": "CCTM/src/aero/aero6/aero_subs.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC routines for aerosol formation and transformation processes\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE AEROPROC( DT, COL, ROW, LAYER )\n\nC-----------------------------------------------------------------------\nC SUBROUTINE AEROPROC advances the number, second moment, and mass\nC concentrations for each mode over the time interval DT.\n\nC KEY SUBROUTINES CALLED:\nC GETPAR, ORGAER5, GETCOAGS, INTERCOAG_GH, INTRACOAG_GH,\nC VOLINORG\n\nC KEY FUNCTIONS CALLED: ERF, ERFC, GETAF\n\nC REVISION HISTORY:\nC Coded in December 1999 by Dr. Francis S. Binkowski\nC Modified from older versions used in CMAQ.\n\nC FSB 05/17/00 new version of RPMARES included\n\nC FSB 05/30/00 Fixed minor bug in awater.f\n\nC FSB Correction to extinction coefficient in getbext.\n\nC FSB 07/21/00 corrected units on ORGRATES and ORGBRATE_IN from\nC ppm/min to ppm/sec in AEROPROC and AEROSTEP.\n\nC FSB 11/30/00 following changes from 07/28/00\nC Fixed problem for new emissions file version\nC Combined emissions for M3\nC Used a fixed value of Dpmin for plotting\nC Added variables OMEGA_AT & OMEGA_AC for partitioning\nC Eliminated the restriction on relative humidity for nucleation.\nC Added a branch in EQL for very low relative humidity (<1%).\n\nC FSB Following changes to RPMARES:\nC Number of iterations reduced from 150 to 50.\nC Iterations are used only if 0.5 < = RATIO.\nC In calculating the molality of the bisulfate ion, a\nC MAX(1.0e-10, MSO4 ) is used.\n\nC FSB 08/08/01 Changes to NEWPART to correct mass rate and to AEROSTEP\nC to correct sulfate, include emissions, and trap problem in\nC accumulation mode number calculation.\n\nC FSB 09/19/01 Version AE3, major changes\nC Organics are done with Dr. Benedikt Schell's approach. (ORGAER3)\nC Particle production uses Kulmala approach (NEWPART3)\nC Condensational factors for sulfate and organics are calculated\nC separately.\nC Emissions are assumed to be input in vertical diffusion.\nC Include files replaced by Fortran 90 Modules.\nC The modules also contain subroutines.\n\nC FSB 10/24/01 Added the treatment of gaseous N2O5 -> aerosol HNO3\n\nC FSB 10/25/01 Changed the mass transfer calculation for Aitken to\nC accumulation mode by coagulation as recommended by Dr. Benedikt\nC Schell.\n\nC SJR 04/24/02 Replaced thermodynamic code RPMARES with ISORROPIA\nC --Shawn J. Roselle\n\nC GLG 04/04/03 Modifications to allow for evaporation of semi-volatile\nC organics from aerosol phase. --Gerald L. Gipson\n\nC FSB 11/18/03 Corrections to sulfate condensation. Previously,\nC SCONDRATE was undefined when SO4RATE=0 and SCONDRATE was\nC negative when SO4RATE < DMDT_so4.\n\nC PVB 01/08/04 Several changes in preparation for simulation of 2001\nC calendar year --Dr. Prakash V. Bhave\nC -Added interface to new subroutine, GETCOAGS, for calculating\nC coagulation rates. GETCOAGS is used instead of Gauss-Hermite\nC quadrature for computational efficiency, by setting\nC FASTCOAG_FLAG = .TRUE. --PVB\nC -Removed SOA from the definition of \"DRY\" aerosol. Aerosol surface\nC area is now transported without SOA. See notes in GETPAR, AERO,\nC and AERO_DEPV subroutines. --SJR\nC -Moved EQL3 call from AEROPROC to AEROSTEP, immediately following\nC the ORGAER3 call. This is a side effect of transporting aerosol\nC surface area without SOA. --SJR\nC -New subroutine, HCOND3, to calculate condensation rates for\nC 2nd and 3rd moments. Results are unchanged. --FSB\nC -Revised method of calculating SOA. Partition SOA to the modes\nC in proportion to the amounts of total organic mass (SOA plus\nC primary) in each mode. Modal geometric standard deviations are\nC now preserved during SOA condensation and evaporation. --FSB\nC -Combined the former subroutines AEROPROC and AEROSTEP into this\nC subroutine; retained the name AEROPROC. --PVB\n\nC PVB 09/21/04 added in-line documentation with input from FSB.\nC Changed MWH2SO4 from 98.07354 to 98.0 g/mol for consistency with\nC the mechanism files.\n\nC PVB 09/27/04 removed the IF(XM3.GT.0.0) mode-merging precondition\nC because it caused significant erroneous mode crossover. Fix\nC suggested by Dr. Chris Nolte.\n\nC PVB 01/19/05 Added SO4RATE to the EQL3 call vector. This is necessary\nC to ensure that the gas and inorganic fine PM (i+j) concentrations\nC are in thermodynamic equilibrium at the end of each time step.\n\nC PVB 05/02/05 Modified ERF statement function for negative arguments such\nC that erf(-x) = -erf(x). Previous version had erf(-x) = erf(x).\n\nC PVB 04/06/06 Added GAMMA_N2O5 to the AEROPROC and EQL3 call vectors,\nC so it can be written to the aerosol diagnostic file.\n\nC SLN 09/07/07 Several changes in preparation for new SOA module\nC -Removed Aitken-mode SOA species (CBLK(VORGAI),CBLK(VORGBI)) and\nC all of the related variables (OMASS_I, OMASS_J, FRACI, FRACJ,\nC OLD_M2_I, OLD_M3_I, NEW_M2_I, NEW_M3_I)\nC -Replaced the other SOA species (CBLK(VORGAJ),CBLK(VORGBJ)) with\nC precursor-specific SOA species (e.g., CBLK(VTOL1J)).\nC -Replaced SOA_A and SOA_B with an array, SOA_ALL. Replaced\nC OLDSOA_A and OLDSOA_B with an array, OLDSOA. Updated ORGAER3\nC call vector accordingly.\nC -Removed dependence of mode-merging criteria on SOA condensation\nC because that logic was flawed. Deleted all variables needed\nC for that calculation (CHEMRATE_ORG, ORGRATE, ORGBRATE).\n\nC PVB 11/02/07 Moved heterogenous N2O5 chemistry from EQL3 to a new\nC subroutine, HETCHEM.\n\nC PVB 11/29/07 Implementation of new SOA formation mechanisms\nC -Replaced call to ORGAER3 with a call to ORGAER5\nC -Moved CBLK updates of SV species, SOA species, M2, and M3 into\nC ORGAER5 instead of updating those values in AEROPROC\n\nC JOY 04/08/08 White space, alignment, readability\n\nC JTK 04/17/08 Implemented coarse chemistry updates\nC -replaced condensation calculations with call to VOLINORG\nC -added code for coarse surface area and variable coarse std. dev.\nC -modified modal dynamics equations because new particle formation\nC and growth are now calculated in VOLINORG\n\nC JOY 12/07/08 Removed unused EQL3 code, add column and row arguments to\nC VOLINORG for diagnostic logging\n\nC SH 12/17/09 Major restructuring of all aerosol codes\nC -use new Fortran modules (e.g., AERO_DATA, SOA_DEFN); shortened call\nC vector; replaced CBLK with aerospc structure; eliminated AERO_INFO\n\nC SH 03/10/11 Renamed met_data to aeromet_data\n\nC HS 03/10/11 Added call to POAAGE between ORGAER and HETCHEM\n\nC SR 03/25/11 Replaced I/O API include files with UTILIO_DEFN\n\nC BH 09/30/13 Removed Call to HETCHEM and GAMMA_N2O5 argument\nC because of merging of gas and heterogeneous \nC chemistry\n\nC JB 02/07/14 Added Jai Xing's mass balance fix when there is excessive\nC condensation or evaporation under cold conditions\n\nC BH 07/21/14 Removed call to POAAGE because reaction represented in\nC chemical mechanism\n\nC GS/KF 09/23/14 Updated nucleation scheme with Vehkamaki et al. (2002)\n\nC HP/BM 4/16 Removed m3_wet_flag since wet/dry status is now\nC tracked by AERO_DATA variable. Moments are always wet in AEROPROC\nC Updated treatment of aerosol moments\n\nC SLN 12/30/19 Update for ddm-3d implementation in version 5.3.1\n\nC REFERENCES:\nC 1. Binkowski, F.S. and U. Shankar, The regional particulate matter\nC model 1. Model description and preliminary results, J. Geophys.\nC Res., Vol 100, No D12, 26101-26209, 1995.\n\nC 2. Binkowski, F.S. and S.J. Roselle, Models-3 Community\nC Multiscale Air Quality (CMAQ) model aerosol component 1:\nC Model Description. J. Geophys. Res., Vol 108, No D6, 4183\nC doi:10.1029/2001JD001409, 2003.\n\nC 3. Bhave, P.V., S.J. Roselle, F.S. Binkowski, C.G. Nolte, S. Yu,\nC G.L. Gipson, and K.L. Schere, CMAQ aerosol module development:\nC recent enhancements and future plans, Paper No. 6.8, CMAS Annual\nC Conference, Chapel Hill, NC, 2004.\nC-----------------------------------------------------------------------\n \n USE AERO_DATA\n USE PRECURSOR_DATA ! gas phase aero precursor data\n USE SOA_DEFN\n USE AEROMET_DATA\n USE UTILIO_DEFN\n USE AERO_BUDGET\n\n#ifdef sens\n USE DDM3D_DEFN, ONLY : NP, NPMAX\n USE AERO_DDM3D, ONLY : s_aerospc_conc, s_precursor_conc,\n & s_so4rate\n#endif\n\n\n IMPLICIT NONE\n\nC *** arguments:\n REAL, INTENT( IN ) :: DT ! synchronization time step, sec\n INTEGER, INTENT( IN ) :: COL ! Column of cell\n INTEGER, INTENT( IN ) :: ROW ! Row of cell\n INTEGER, INTENT( IN ) :: LAYER ! Layer of cell\n\nC *** Parameters\n REAL, PARAMETER :: DIFFSULF = 9.36E-06 ! molecular diffusiviity for sulfuric acid\n REAL, PARAMETER :: SQRT2 = 1.4142135623731\n REAL, PARAMETER :: T0 = 288.15 ! [ K ]\n REAL, PARAMETER :: TWOTHIRDS = 2.0 / 3.0\n REAL, PARAMETER :: ONE_OVER_TICE = 1.0 / 273.16\n\nC *** local variables\n REAL DIFFCORR ! Correction to DIFFSULF & DIFFORG for pressure\n REAL DV_SO4 ! molecular diffusivity of H2SO4 vapor after correction for ambient conditions\n REAL SQRT_TEMP ! square root of ambient temperature\n REAL XLM ! atmospheric mean free path [m]\n REAL AMU ! atmospheric dynamic viscosity [kg/m s]\n\n REAL( 8 ) :: CGR( N_MODE-1 ) ! Aitken & Accum. modes\n\n REAL( 8 ) :: LAMDA ! mean free path [ m ]\n REAL( 8 ) :: KNC ! KNC = TWO3 * BOLTZMANN * AIRTEMP / AMU\n\nC *** Free Molecular regime (depends upon modal density)\n REAL( 8 ) :: KFMAT ! = SQRT( 3.0*BOLTZMANN * AIRTEMP / PDENSAT )\n REAL( 8 ) :: KFMAC ! = SQRT( 3.0*BOLTZMANN * AIRTEMP / PDENSAC )\n REAL( 8 ) :: KFMATAC ! = SQRT( 6.0*BOLTZMANN * AIRTEMP / ( PDENSAT + PDENSAC ) )\n\nC *** Intermodal coagulation rates [ m**3/s ] ( 0th & 2nd moments )\n REAL( 8 ) :: BATAC( 2 ) ! Aitken to accumulation\n REAL( 8 ) :: BACAT( 2 ) ! accumulation from Aitken\n\nC *** Intramodal coagulation rates [ m**3/s ] ( 0th & 2nd moments )\n REAL( 8 ) :: BATAT( 2 ) ! Aitken mode\n REAL( 8 ) :: BACAC( 2 ) ! accumulation mode\n\nC *** Intermodal coagulation rate [ m**3/s ] ( 3rd moment )\n REAL( 8 ) :: C3IJ ! Aitken to accumulation\n REAL( 8 ) :: C30ATAC ! Aitken to accumulation\n REAL( 8 ) :: DG_D ( N_MODE )\n REAL( 8 ) :: SG_D ( N_MODE )\n REAL( 8 ) :: XXL_D( N_MODE )\n\n! *** Variables for computing the budget\n REAL( 8 ) :: CBUDGET0_NUM ( N_MODE )\n REAL( 8 ) :: CBUDGET0_SRF ( N_MODE )\n REAL( 8 ) :: CBUDGET0_MASS( N_AEROSPC,N_MODE )\n\nC *** variables for advancing concentrations one time step\n REAL( 8 ) :: A, B\n REAL( 8 ) :: Y0, Y\n REAL( 8 ) :: EXPDT\n REAL( 8 ) :: LOSS, PROD, POL\n REAL TMASS\n REAL FACTRANS ! special factor to compute mass transfer\n REAL M30(3), M20(3), M00(3) ! for initial condidtions in time stepping\n\nC *** Variables for mode merging\n REAL GETAF\n REAL AAA, XNUM, XM2, XM3,XXM2, XXM3\n REAL FNUM, FM2, FM3, PHNUM, PHM2, PHM3\n REAL ERF, ERFC ! Error and complementary error function\n\nC *** local variables\n INTEGER SPC ! loop counter\n INTEGER N ! loop counter\n\n logical, save :: firstime = .true.\nC-----------------------------------------------------------------------\n\n if ( firstime ) then\n firstime = .false.\n#ifdef nomm\n write( logdev,* ) 'aero_subs: nomm'\n#endif\n end if\n\nC *** square root of the ambient temperature for later use\n SQRT_TEMP = SQRT( AIRTEMP )\n \nC *** Calculate mean free path [ m ]:\nC 6.6328E-8 is the sea level value given in Table I.2.8\nC on page 10 of U.S. Standard Atmosphere 1962\n\n XLM = 6.6328E-8 * STDATMPA * AIRTEMP / ( T0 * AIRPRES )\n\nC *** Calculate dynamic viscosity [ kg m**-1 s**-1 ]:\nC U.S. Standard Atmosphere 1962 page 14 expression\nC for dynamic viscosity is:\nC dynamic viscosity = beta * T * sqrt(T) / ( T + S)\nC where beta = 1.458e-6 [ kg sec^-1 K**-0.5 ], s = 110.4 [ K ].\n AMU = 1.458E-6 * AIRTEMP * SQRT_TEMP / ( AIRTEMP + 110.4 )\n\nC *** Set minimums for coarse mode\n MOMENT0_CONC( N_MODE ) = MAX( AEROMODE_MINNUM( N_MODE ),\n & MOMENT0_CONC( N_MODE ) )\n\nC *** Secondary Organics\nC Update the secondary organic aerosol (SOA) mass concentrations\nC and the SVOC mass concentrations by equilibrium absorptive\nC partitioning between the particle and vapor phases. Assume all\nC SOA resides in the accumulation mode.\nC\nC Aerosol is wet when it enters orgaer\n CALL ORGAER( DT, LAYER )\n\nC *** Secondary Inorganics\nC The VOLINORG subroutine includes the treatment of new particle\nC production and a fully dynamic treatment of inorganic gas-to-\nC particle mass transfer.\n\nC *** Compute H2SO4 diffusivity, correct for temperature and pressure\n DIFFCORR = ( STDATMPA / AIRPRES ) * ( ONE_OVER_TICE * AIRTEMP ) ** 1.75\n DV_SO4 = DIFFSULF * DIFFCORR\n\nC *** Update size parameters (distribution is wet from ORGAER)\n CALL GETPAR( FIXED_sg )\n\n! *** Mass transfer of inorganic constituents \n! *** Process Budget is calculated inside this routine because NPF and\n! *** condensation are calculated simultaneously\n CALL VOLINORG( DT, COL, ROW, LAYER, DV_SO4, CGR )\n\n! *** Coagulation\n! Calculate coagulation coefficients using a method dictated by\n! the value of FASTCOAG_FLAG. If TRUE, the computationally-\n! efficient GETCOAGS routine is used. If FALSE, the more intensive\n! Gauss-Hermite numerical quadrature method is used. See Section\n! 2.1 of Bhave et al. (2004) for further discussion.\n! *** Initialize Budget Variables\n CBUDGET0_NUM = MOMENT0_CONC\n CBUDGET0_SRF = MOMENT2_CONC * PI\n CBUDGET0_MASS = AEROSPC_CONC\n \n! *** set atmospheric mean free path in double precision\n LAMDA = XLM\n\n! *** calculate term used in Equation A6 of Binkowski & Shankar (1995)\n KNC = TWOTHIRDS * BOLTZMANN * AIRTEMP / AMU\n\n! *** calculate terms used in Equation A5 of Binkowski & Shankar (1995)\n KFMAT = SQRT( 3.0 * BOLTZMANN * AIRTEMP / AEROMODE_DENS( 1 ) )\n KFMAC = SQRT( 3.0 * BOLTZMANN * AIRTEMP / AEROMODE_DENS( 2 ) )\n KFMATAC = SQRT( 6.0 * BOLTZMANN * AIRTEMP\n & / ( AEROMODE_DENS( 1 ) + AEROMODE_DENS( 2 ) ) )\n\n! *** transfer of number to accumulation mode from Aitken mode is zero\n BACAT( 1 ) = 0.0\n\n IF ( FASTCOAG_FLAG ) THEN ! Solve coagulation analytically\n\nC *** set geometric mean diameters, geometric standard deviations, and\nC ln(GSD) in double precision\n DO N = 1, N_MODE\n DG_D( N ) = AEROMODE_DIAM( N )\n SG_D( N ) = EXP( AEROMODE_LNSG( N ) )\n XXL_D( N ) = AEROMODE_LNSG( N )\n END DO\n\nC *** calculate intermodal and intramodal coagulation coefficients\nC for zeroth and second moments, and intermodal coagulation\nC coefficient for third moment\n CALL GETCOAGS( LAMDA, KFMATAC, KFMAT, KFMAC, KNC,\n & DG_D(1), DG_D(2), SG_D(1), SG_D(2),\n & XXL_D(1),XXL_D(2),\n & BATAT( 2 ), BATAT( 1 ), BACAC( 2 ), BACAC( 1 ),\n & BATAC( 2 ), BACAT( 2 ), BATAC( 1 ), C3IJ )\n\n ELSE ! Use Gauss-Hermite numerical quadrature\n\nC *** calculate Aitken-mode intramodal coagulation coefficients\nC for zeroth and second moments\n CALL INTRACOAG_GH( LAMDA, KFMAT, KNC, AEROMODE_DIAM( 1 ),\n & AEROMODE_LNSG( 1 ), BATAT( 2 ), BATAT( 1 ) )\n\nC *** calculate accumulation-mode intramodal coagulation coefficients\nC for zeroth and second moments\n CALL INTRACOAG_GH( LAMDA, KFMAC, KNC, AEROMODE_DIAM( 2 ),\n & AEROMODE_LNSG( 2 ), BACAC( 2 ), BACAC( 1 ) )\n\nC *** calculate intermodal coagulation coefficients for zeroth, second,\nC and third moments\n CALL INTERCOAG_GH( LAMDA, KFMATAC, KNC,\n & AEROMODE_DIAM( 1 ), AEROMODE_DIAM( 2 ),\n & AEROMODE_LNSG( 1 ), AEROMODE_LNSG( 2 ),\n & BATAC( 2 ), BACAT( 2 ), BATAC( 1 ), C3IJ )\n\n END IF ! FASTCOAG_FLAG\n\nC *** calculate 3rd moment intermodal transfer rate by coagulation\n C30ATAC = C3IJ * MOMENT0_CONC( 1 ) * MOMENT0_CONC( 2 )\n\nC *** TAKE ONE FORWARD TIME STEP - Solve Modal Dynamics Equations\nC This code implements Section 1.4 of Binkowski and Roselle (2003)\nC with two notable exceptions. 1) emissions are treated in\nC CMAQ`s vertical diffusion routine, so they do not appear in the\nC following equations. 2) new particle formation and condensational\nC growth are now treated in the VOLINORG subroutine, so they do not\nC appear in the following equations.\n \n ! Initial Moment Values\n M00 = MOMENT0_CONC\n M20 = MOMENT2_CONC\n M30 = MOMENT3_CONC\n\n! *** Update Zeroth Moment (i.e. number concentration)\n! *** Aitken mode: initial value of M0\n Y0 = MOMENT0_CONC( 1 )\n\n ! The rate of change for M0_Aitken is described in Equation 8a of\n ! Binkowski & Roselle (2003), with the c_i term equal to 0.\n A = BATAT( 1 ) ! intramodal coagulation\n B = BATAC( 1 ) * moment0_conc( 2 ) ! intermodal coagulation\n\n EXPDT = EXP( - B * DT )\n IF ( EXPDT .LT. 1.0D0 ) THEN\n Y = B * Y0 * EXPDT / ( B + A * Y0 * ( 1.0D0 - EXPDT ) )\n ELSE\n Y = Y0 ! solution in the limit that B approaches zero\n END IF\n\n ! Transfer new value of M0_Aitken to the moment array\n MOMENT0_CONC( 1 ) = MAX( AEROMODE_MINNUM( 1 ), REAL( Y ) )\n\n ! Accumulation mode: initial value of M0\n Y0 = MOMENT0_CONC( 2 )\n\n ! The rate of change for M0_accum is described in Equation 8b of\n ! Binkowski & Roselle (2003), except the coefficient C is zero\n ! because emissions are treated outside the CMAQ aerosol module.\n ! The equation reduces to the form: dY/dt = -A * Y**2 , where\n A = BACAC( 1 ) ! intramodal coagulation\n\n ! Solve for M0_accum using Smoluchowski`s solution\n Y = Y0 / ( 1.0D0 + A * Y0 * DT )\n\n ! Transfer new value of M0_accum to the moment array\n MOMENT0_CONC( 2 ) = MAX( AEROMODE_MINNUM( 2 ), REAL( Y ) )\n\n ! ** Update Budget Variable for Zeroth Moment\n COAG_BUDGET( AERONUM_MAP( 1 ),1 ) = MOMENT0_CONC( 1 ) - CBUDGET0_NUM( 1 )\n COAG_BUDGET( AERONUM_MAP( 2 ),2 ) = MOMENT0_CONC( 2 ) - CBUDGET0_NUM( 2 )\n\n! *** end of update for zeroth moment - note that the coarse mode number does\n! *** not change because coarse-mode coagulation is neglected in the model\n \n\nC *** UPDATE MASS CONCENTRATIONS (for each species)\nC The following procedure is described in Paragraphs 21-23\nC of Binkowski & Roselle (2003), except the Ei,n and Ej,n terms\nC are excluded here because emissions are treated outside the\nC CMAQ aerosol module.\n\nC Aitken mode mass concentration rates of change are of the form:\nC dc/dt = P - L*c ! Equation 9a of Binkowski & Roselle (2003)\nC with solution\nC c(t0 + dt) = P/L + ( c(t0) - P/L ) * exp(-L*dt)\n\nC For all species, loss of Aitken mode mass is due to intermodal\nC coagulation.\nC LOSSn = PI/6 * RHOn * C30ATAC / MASSn\nC RHOn = MASSn / (M3 * PI/6)\nC When above equations are combined, the PI/6 terms cancel yielding\nC LOSSn = C30ATAC / M3\nC where LOSSn is the loss rate of species n, RHOn is the mass of\nC species n per unit of particle volume, C30ATAC is the 3rd moment\nC loss rate due to intermodal coagulation, MASSn is the mass\nC concentration of species n, and M3 is the 3rd moment\nC concentration.\n\n LOSS = C30ATAC / MOMENT3_CONC( 1 )\n\n ! Set up extra variables to solve for Aitken mode mass concentrations\n FACTRANS = REAL( LOSS,4 ) * DT\n EXPDT = EXP( -FACTRANS )\n\n ! Transfer mass from Aitken to accumulation mode, resulting from \n ! intermodal coagulation.\n\n DO SPC = 1, N_AEROSPC\n IF ( AERO_MISSING(SPC,1) ) CYCLE\n \n TMASS = AEROSPC_CONC( SPC,1 ) + AEROSPC_CONC( SPC,2 )\n IF( SPC .EQ. APHGJ_IDX )THEN \n ! assumes all production adsorb onto accumulation mode\n TMASS = TMASS + PHG_RATE * DT\n END IF\n\n AEROSPC_CONC( SPC,1 ) = MAX( AEROSPC( SPC )%MIN_CONC( 1 ),\n & REAL( AEROSPC_CONC( SPC,1 ) * EXPDT ) )\n AEROSPC_CONC( SPC,2 ) = MAX( AEROSPC( SPC )%MIN_CONC( 2 ),\n & TMASS - AEROSPC_CONC( SPC,1 ) )\n\n\n ! Update Budget Variable for Speciated Mass\n IF ( AEROSPC_MAP( SPC,1 ) .NE. 0 ) \n & COAG_BUDGET( AEROSPC_MAP( SPC,1 ),1 ) = \n & AEROSPC_CONC( SPC,1 ) - CBUDGET0_MASS( SPC,1 )\n IF ( AEROSPC_MAP( SPC,2 ) .NE. 0 ) \n & COAG_BUDGET( AEROSPC_MAP( SPC,2 ),1 ) = \n & AEROSPC_CONC( SPC,2 ) - CBUDGET0_MASS( SPC,2 )\n\n END DO\n\nC *** end of update for species mass concentrations\n \n! *** UPDATE SECOND MOMENT\n IF ( COAG_MOMENTS .EQ. 3 ) THEN\n ! For each lognormal mode, solve equations of form:\n ! dM2/dt = P2 - L2*M2 ! if L2 > 0\n ! with solution\n ! M2(t) = P2/L2 + ( M2(t0) - P2/L2 ) * exp( -L2*dt )\n ! or\n ! dM2/dt = P2 ! if L2 = 0\n ! with solution\n ! M2(t) = M2(t0) + P2*dt\n\n ! Loss of 2nd moment from Aitken mode is due to intermodal\n ! coagulation with accumulation mode and intramodal coagulation.\n ! Production term is removed, because new particle formation\n ! and condensational growth are accounted for in VOLINORG.\n LOSS = (\n & ( BATAT( 2 ) * M00( 1 )\n & + BATAC( 2 ) * M00( 2 ) ) * M00( 1 )\n & ) / M20( 1 )\n\n ! Solve for M2_Aitken based on LOSS during this time step\n ! Note: LOSS is assumed to be non-negative.\n IF ( LOSS .GT. 0.0 ) THEN\n Y = M20( 1 ) * EXP( -LOSS * DT )\n ELSE\n Y = M20( 1 )\n END IF ! test on loss\n\n ! Transfer new value of M2_Aitken to the array\n MOMENT2_CONC( 1 ) = MAX( REAL( AEROMODE_MINM2( 1 ) ), REAL( Y ) )\n\n ! Production of 2nd moment in accumulation mode is due to\n ! intermodal coagulation Aitken mode\n PROD = BACAT( 2 ) * M00( 1 ) * M00( 2 )\n\n ! Loss of 2nd moment from accumulation mode is due only to\n ! intramodal coagulation\n LOSS = ( BACAC( 2 ) * M00( 2 ) * M00( 2 ) ) / M20( 2 )\n\n ! Solve for M2_accum based on PROD and LOSS during this time step\n ! Note: LOSS is assumed to be non-negative.\n IF ( LOSS .GT. 0.0 ) THEN\n POL = PROD / LOSS\n Y = POL + ( M20(2) - POL ) * EXP( -LOSS * DT )\n ELSE\n Y = M20(2) + PROD * DT\n END IF ! test on loss\n \n ! Transfer new value of M2_accum to moment array\n MOMENT2_CONC( 2 ) = MAX( REAL( AEROMODE_MINM2( 2 ) ), REAL( Y ) )\n\n ! Coarse mode: no change because coagulation of coarse particles\n ! is neglected in current model version.\n\n ELSE IF ( COAG_MOMENTS .EQ. 2 ) THEN\n ! Assume constant modal standard deviation and solve for new\n ! second moment as a function of the change in the third moment.\n MOMENT2_CONC( 1 ) = M20( 1 )*( MOMENT3_CONC( 1 ) / M30( 1 ) ) ** ( 2.0 / 3.0 )\n MOMENT2_CONC( 2 ) = M20( 2 )*( MOMENT3_CONC( 2 ) / M30( 2 ) ) ** ( 2.0 / 3.0 )\n\n END IF\n\n ! Update Budget Variable for Second Moment\n COAG_BUDGET( AEROSRF_MAP( 1 ),1 ) = MOMENT2_CONC( 1 ) * PI - CBUDGET0_SRF( 1 )\n COAG_BUDGET( AEROSRF_MAP( 2 ),2 ) = MOMENT2_CONC( 2 ) * PI - CBUDGET0_SRF( 2 )\n\nC *** end of update for second moment\n \n\nC *** Mode Merging\nC This code implements Section 1.5 of Binkowski and Roselle (2003).\nC If the Aitken mode mass is growing faster than accumulation mode\nC mass and the Aitken mode number concentration exceeds the\nC accumulation mode number concentration, then modes are merged by\nC renaming.\n\n! *** Initialize Budget Variables\n CBUDGET0_NUM = MOMENT0_CONC\n CBUDGET0_SRF = MOMENT2_CONC * PI\n CBUDGET0_MASS = AEROSPC_CONC\n\n#ifdef nomm\n if ( .false. ) then\n#else\n IF ( CGR( 1 ) .GT. CGR( 2 ) .AND.\n & MOMENT0_CONC( 1 ) .GT. MOMENT0_CONC( 2 ) ) THEN\n#endif\n\nC *** Before mode merging, update the third moments, geometric mean\nC diameters, geometric standard deviations, modal mass totals, and\nC particle densities, based on the new concentrations of M2, M0, and\nC speciated masses calculated above. This is still the wet\nC distribution.\n CALL GETPAR( FIXED_sg )\n\nC *** Calculate AAA = ln( Dij / DGATK ) / ( SQRT2 * XXLSGAT ), where Dij\nC is the diameter at which the Aitken-mode and accumulation-mode\nC number distributions intersect (i.e., overlap). AAA is equivalent\nC to the \"Xnum\" term described below Equation 10a by Binkowski and\nC Roselle (2003).\n AAA = GETAF( MOMENT0_CONC( 1 ), MOMENT0_CONC( 2 ),\n & AEROMODE_DIAM( 1 ), AEROMODE_DIAM( 2 ), \n & AEROMODE_LNSG( 1 ), AEROMODE_LNSG( 2 ),\n & SQRT2 ) \n\nC *** Ensure that Xnum is large enough so that no more than half of\nC the Aitken mode mass is merged into the accumulation mode during\nC any given time step. This criterion is described in Paragraph 26\nC of Binkowski and Roselle (2003).\n XXM3 = 3.0 * AEROMODE_LNSG( 1 ) / SQRT2\n XNUM = MAX( AAA, XXM3 )\n\nC *** Factors used in error function calls for M2 and M3 mode merging\n XXM2 = TWOTHIRDS * XXM3\n XM2 = XNUM - XXM2 ! set up for 2nd moment transfer\n XM3 = XNUM - XXM3 ! set up for 3rd moment and mass transfers\n\nC *** Calculate the fractions of the number, 2nd, and 3rd moment\nC distributions with diameter greater than the intersection diameter\n FNUM = 0.5 * ERFC( XNUM ) ! Eq 10a of B&R 2003\n FM2 = 0.5 * ERFC( XM2 ) ! Eq 10b of B&R 2003\n FM3 = 0.5 * ERFC( XM3 ) ! Eq 10b of B&R 2003\n\nC *** Calculate the fractions of the number, 2nd, and 3rd moment\nC distributions with diameters less than the intersection diameter.\n PHNUM = 0.5 * ( 1.0 + ERF( XNUM ) ) ! Eq 10c of B&R 2003\n PHM2 = 0.5 * ( 1.0 + ERF( XM2 ) ) ! Eq 10d of B&R 2003\n PHM3 = 0.5 * ( 1.0 + ERF( XM3 ) ) ! Eq 10d of B&R 2003\n\nC *** Update accumulation-mode moment concentrations using\nC Equations 11a - 11c of Binkowski and Roselle (2003).\n MOMENT0_CONC( 2 ) = MOMENT0_CONC( 2 ) + MOMENT0_CONC( 1 ) * FNUM\n MOMENT2_CONC( 2 ) = MOMENT2_CONC( 2 ) + MOMENT2_CONC( 1 ) * FM2\n MOMENT3_CONC( 2 ) = MOMENT3_CONC( 2 ) + MOMENT3_CONC( 1 ) * FM3\n\nC *** Update Aitken-mode moment concentrations using\nC Equations 11d - 11f of Binkowski and Roselle (2003).\n MOMENT0_CONC( 1 ) = MOMENT0_CONC( 1 ) * PHNUM\n MOMENT2_CONC( 1 ) = MOMENT2_CONC( 1 ) * PHM2\n MOMENT3_CONC( 1 ) = MOMENT3_CONC( 1 ) * PHM3\n \nC *** Rename masses of each species from Aitken mode to acumulation mode\nC using Equation 11b of Binkowski and Roselle (2003). Do this for\nC all species, even the aerosol water.\n DO SPC = 1, N_AEROSPC\n IF ( AERO_MISSING(SPC,1) ) CYCLE\n\n AEROSPC_CONC( SPC,2 ) = AEROSPC_CONC( SPC,2 ) + AEROSPC_CONC( SPC,1 ) * FM3\n AEROSPC_CONC( SPC,1 ) = AEROSPC_CONC( SPC,1 ) * PHM3\n END DO\n\n END IF ! end check on necessity for merging\n\nC *** end of update for mode merging\n\nC *** Update the third moments, geometric mean diameters, geometric\nC standard deviations, modal mass totals, and particle densities,\nC based on the final concentrations of M2, M0, and speciated masses\nC after mode merging is complete. This should be done for the wet\nC distribution.\n CALL GETPAR( FIXED_sg )\n\nC *** Set minimum value for all concentrations in the CBLK array\n\n DO N = 1, N_MODE\n DO SPC = 1, N_AEROSPC\n AEROSPC_CONC( SPC,N ) = MAX( AEROSPC_CONC( SPC,N ),\n & AEROSPC( SPC )%MIN_CONC( N ) )\n#ifdef sens\n IF (AEROSPC_CONC( SPC,N ) .EQ. AEROSPC( SPC )%MIN_CONC( N ) ) THEN\n S_AEROSPC_CONC( SPC,N,: ) = 0.0\n ENDIF\n#endif\n END DO\n END DO\n\n\n! *** Propagate Mode Merging and Minimum value impacts to budget variables\n GROWTH_BUDGET( AERONUM_MAP(:) ) = MOMENT0_CONC(:) - CBUDGET0_NUM(:)\n GROWTH_BUDGET( AEROSRF_MAP(:) ) = MOMENT2_CONC(:) * PI - CBUDGET0_SRF(:)\n DO SPC = 1,N_AEROSPC\n WHERE( AEROSPC_MAP( SPC,: ) .NE. 0 )\n & GROWTH_BUDGET( AEROSPC_MAP(SPC,:) )=\n & AEROSPC_CONC(SPC,:) - CBUDGET0_MASS(SPC,:)\n END DO\n\n RETURN\n END SUBROUTINE AEROPROC\n\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE VOLINORG( DT, COL, ROW, LAYER, DV_SO4, CGR )\n\nC *** Calculates the partitioning of inorganic components (CL,NO3,NH4,SO4)\nC between the aerosol and gas phase over the operator synchronization\nC timestep (DT). Partitioning is calculated using the Hybrid approach,\nC where dynamic mass transfer of species to/from the coarse mode is\nC calculated using multiple sub-operator time steps (TSTEP) and the\nC fine modes are equilibrated with the gas phase. The mass transfer\nC calculations are made using the H+ flux-limiting approach of Pilinis\nC et al. (2000). If 'OPTIONFLAG' is not set to 'Hybrid', the mass\nC transfer calculations for the coarse mode are skipped, and the fine\nC modes are equilibrated with the gas phase.\n\nC Returns updated volatile inorganic species concentrations in the gas\nC and particulate phase, and the aerosol modal parameters\n\nC *** Revision history: 4/07 - Moved HCOND3 and NEWPART3 calls from \nC AEROPROC to this subroutine for \nC mass transfer calculation \nC 15 Jul 08 J.Young, P.Bhave: increased cutoff to hybrid from .01 to .05 ug/m**3\nC J.Young: change 'OPTIONFLAG' to just a logical variable, 'Hybrid'\n\nC 10 Mar 11 S.Howard Renamed met_data to aeromet_data\nC 25 Mar 11 S.Roselle Replaced I/O API include files with UTILIO_DEFN\nC 26 Apr 11 G.Sarwar Replaced existing ISORROPIA with ISORROPIA 2.1\nC Updated coarse-mode aerosol speciation and H+ calculation \nC 12 Apr 16 H. Pye and B. Murphy: Update with consistent treatment for wet particles.\nC 15 Apr 16 J.Young: Use aerosol factors from AERO_DATA module named constants\n\nC *** References\nC 1. Pilinis C, Capaldo KP, Nenes A, Pandis SN (2000) MADM - A new\nC multicomponent aerosol dynamics model. AEROSOL SCIENCE AND TECHNOLOGY.\nC 32(5):482-502\nC\nC 2. Capaldo KP, Pilinis C, Pandis SN (2000) A computationally efficient hybrid\nC approach for dynamic gas/aerosol transfer in air quality models. ATMOSPHERIC\nC ENVIRONMENT. 34(21):3617-3627\nC\nC 3. Fountoukis C, Nenes, A (2007) ISORROPIA II: a comnputationally efficient \nC thermodynamic equilibrium model for K+-Ca2+-Mg2+-NH4+-SO42--NO3--Cl-H2O \nC aerosols. ATMOSPHERIC CHEMISTRY AND PHYSICS. 7, 4639-4659\n\n USE AERO_DATA\n USE PRECURSOR_DATA\n USE SOA_DEFN\n USE AEROMET_DATA\n USE UTILIO_DEFN\n\n#ifdef sens\n USE DDM3D_DEFN, ONLY : NP, NPMAX\n USE AERO_DDM3D, ONLY : S_SO4RATE, S_PRECURSOR_CONC\n#endif\n\n IMPLICIT NONE\n\nC *** Arguments:\n REAL DT ! time step [sec]\n INTEGER COL ! grid column index\n INTEGER ROW ! grid row index\n INTEGER LAYER ! model layer index\n REAL DV_SO4 ! molecular diffusivity of H2SO4 vapor \n ! after correction for ambient conditions\n REAL( 8 ) :: CGR( N_MODE-1 ) ! 3rd moment SO4 growth rate [m^3/m^3-s]\n\nC *** Parameters: \n INTEGER, PARAMETER :: NINORG = 9 ! number of inorganic species\n INTEGER, PARAMETER :: NVOLINORG = 3 ! number of volatile inorganic species\n\n ! indices for inorganic species\n INTEGER, PARAMETER :: KNH4 = 1, KNO3 = 2, KCL = 3, KSO4 = 4, KNA = 5, KMG = 6, KK = 7, KCA = 8, KHP = 9\n\n REAL( 8 ), PARAMETER :: D_TWOTHIRDS = 2.0D0 / 3.0D0\n\n REAL, PARAMETER :: CUTOFF = 0.05 ! [ug/m**3]\n REAL, PARAMETER :: ALPHSULF = 0.1 ! Accommodation coefficient for sulfuric acid\n ! see Capaldo et al. (2000)\n\nC *** Local Variables:\n\nC *** Inputs to subroutine HCOND3\n\n REAL, SAVE :: COFCBAR_SO4 ! Temperature-independent coefficients\n ! for caculating molecular vel [m/s]\n ! = sqrt((8*Rgas)/(pi*MW)) \n REAL CBAR_SO4 ! molecular velocity of H2SO4 \n\n REAL( 8 ) :: AM0( N_MODE ) ! zeroth moments\n REAL( 8 ) :: AM1( N_MODE ) ! first moments\n REAL( 8 ) :: AM2( N_MODE ) ! second moments\n\n REAL( 8 ) :: M2DRY_INIT( N_MODE ) ! Dry Second Moment Initial Array\n REAL( 8 ) :: M3DRY_INIT( N_MODE ) ! Dry Third Moment Initial Array\n REAL( 8 ) :: M2WET_INIT( N_MODE ) ! Wet Second Moment Initial Array\n REAL( 8 ) :: M3WET_INIT( N_MODE ) ! Wet Third Moment Initial Array\n REAL( 8 ) :: M2WET_FINAL( N_MODE ) ! Wet Second Moment Final Array\n REAL( 8 ) :: M3WET_FINAL( N_MODE ) ! Wet Third Moment Final Array\n\nC *** Outputs from HCOND3: size-dependent term in the condensational-growth \nC expressions defined in Equations A13-A14 of [Binkowski & Shankar,1995]\n REAL( 8 ) :: FCONC_SO4( N_MODE,2 ) ! All sizes 2nd and 3rd moments\n REAL( 8 ) :: FCONC_OUT( 2 ) ! Output for HCOND3, 2nd and 3rd moments\n REAL( 8 ) :: FCONCM1_SO4 ! reciprocals of total SO4 cond rates\n\nC *** Modal partition factors [ dimensionless ]\nC defined in Equations A17-A18 of [Binkowski & Shankar,1995]\n REAL( 8 ) :: OMEGA_AT_SO4 ! Aitken mode 2nd and 3rd moments\n REAL( 8 ) :: OMEGA_AC_SO4 ! Accumulation mode 2nd and 3rd moments\n REAL( 8 ) :: OMEGA( 2 ) ! partitioning coefficient for equilibrium PM mass\n REAL( 8 ) :: PHI( NINORG,2 ) ! Mass Fraction of each component in each aerosol mode\n REAL( 8 ) :: TOTAER( NINORG )! Total aerosol component across multiple modes \n\nC *** Variables for new particle formation:\n REAL XH2SO4 ! steady state H2SO4 concentration\n REAL( 8 ) :: DMDT_SO4 ! particle mass production rate [ ug/m**3 s ]\n REAL( 8 ) :: DNDT ! particle number production rate [ # / m**3 s ]\n REAL( 8 ) :: DM2DT ! second moment production rate [ m**2 / m**3 s]\n REAL( 8 ) :: SCONDRATE ! SO4 condensation rate [ ug/m**3 s ]\n\nC *** Mode-specific sulfate production rate [ ug/m**3 s ]\n REAL( 8 ) :: CONDSO4( N_MODE ) ! sulfate condensation rate [ ug/m**3 s ]\n REAL( 8 ) :: RATE ! CONDSO4 or cond+nucl rate\n\nC *** Size-dependent portion of mass-transfer rate equation\n REAL( 8 ) :: GRFAC1( N_MODE ) ! 2nd moment [ m**2/m**3-s ] \n REAL( 8 ) :: GRFAC2( N_MODE ) ! 3rd moment [ m**3/m**3-s ] \n \nC *** ISORROPIA input variables\n REAL( 8 ) :: WI( NINORG - 1 ) ! species array [ mol/m**3 ]\n REAL( 8 ) :: RHI ! relative humidity [ fraction ]\n REAL( 8 ) :: TEMPI ! temperature [ deg K]\n REAL( 8 ) :: CNTRL( 2 ) ! ISOROPIA control parameters \n\nC *** ISORROPIA output variables\n REAL( 8 ) :: WT( NINORG - 1 ) ! species output array (unused)\n REAL( 8 ) :: GAS( 3 ) ! gas-phase \" \" \n REAL( 8 ) :: AERLIQ( 15 ) ! liq aerosol \" \" \n REAL( 8 ) :: AERSLD( 19 ) ! solid \" \" \" (unused)\n REAL( 8 ) :: OTHER( 9 ) ! supplmentary output array (unused)\n CHARACTER( 15 ) :: SCASI ! subcase number output (unused)\n\nC *** Variables to account for mass conservation violations in ISRP3F\n! LOGICAL TRUSTNH4 ! false if ISOROPIA's partitioning\n ! of NH4/NH3 is to be ignored\n LOGICAL TRUSTCL ! false if ISOROPIA's partitioning \n ! of Cl/HCl is to be ignored\n\nC *** Initial (double-precision) concentrations [ug/m3]\n REAL( 8 ) :: GNH3R8 ! gas-phase ammonia\n REAL( 8 ) :: GNO3R8 ! gas-phase nitric acid\n REAL( 8 ) :: GCLR8 ! gas-phase hydrochloric acid\n\nC *** Variables for volatile species mass transfer between gas and aerosol and\nC mass partitioning between the modes \n LOGICAL HYBRID ! mass transfer option flag (mass transfer if .TRUE.)\n REAL( 8 ) :: DELT ! time step DT [s]\n REAL( 8 ) :: HPLUS( N_MODE ) ! scratch var for H+ [umol/m**3]\n\n REAL( 8 ), SAVE :: H2SO4RATM1 ! Mol. wt. ratio of SO4/H2SO4\n\n REAL( 8 ) :: DVOLINORG( NVOLINORG ) ! vol inorg spcs mass to be xferred [mol/m3]\n REAL( 8 ) :: DVOLMAX ! max value for DVOLINORG \n REAL( 8 ) :: CINORG( NINORG,N_MODE ) ! scratch array for inorg spcs [ug/m**3]\n REAL( 8 ) :: SEACAT ! coarse sea-salt cations [ug/m**3]\n REAL( 8 ) :: SOILwVOLS ! windblown dust before removal of\n ! SO4,NO3,CL,H2O [ug/m**3]\n REAL( 8 ) :: PMCwVOLS ! anthrop coarse material before removal\n ! of SO4,NO3,CL,H2O [ug/m**3]\n REAL( 8 ) :: INT_TIME ! internal mass transfer time (s)\n REAL( 8 ) :: TSTEP ! mass transfer time step [s]\n REAL( 8 ) :: DRYM20, Y ! scratch vars for 2nd moment [m**2/m**3]\n REAL( 8 ) :: M3OTHR ! vars for 3rd moment calculation [m**3/m**3]\n REAL( 8 ), SAVE :: DF( NVOLINORG ) ! scratch array for mole -> ug conversion\n REAL( 8 ), SAVE :: DFH2OR8 ! mole -> ug conversion for H2O\n REAL( 8 ) :: J( NVOLINORG ) ! condensation/evaporation flux [mol/m**3-s]\n REAL( 8 ) :: CFINAL( NVOLINORG,N_MODE ) ! conc after mass xfer step [ug/m**3]\n REAL( 8 ) :: H2O ! Scratch LWC variable for output\n REAL( 8 ) :: H2O_NEW ! Update of LWC after condensation \n REAL( 8 ) :: SO4 ! modal SO4 after condensation or cond + nucl\n REAL( 8 ) :: DDRYM3DT ! rate of 3rd moment transfer - dry inorg spcs\n REAL( 8 ) :: DDRYM2DT ! rate of 2nd moment transfer - \" \" \"\n REAL( 8 ) :: DRYM3, WETM3 ! scratch vars for 3rd moment calc [m**3/m**3]\n REAL( 8 ) :: DRYM2, WETM2 ! scratch vars for 2nd moment calc [m**2/m**3]\n REAL( 8 ) :: LOSS ! rate of loss of second moment [1/s] \n REAL( 8 ) :: EQLBHIJ ! H+ concentration from isoropia for I plus J-modes [ug/m**3]\n\n REAL( 8 ) :: DELNUM( N_MODE ) ! Change in Number due to some process\n REAL( 8 ) :: DELSRF( N_MODE ) ! Change in Surface Area due to some process\n REAL( 8 ) :: DELSO4( N_MODE ) ! Change in Sulfate due to some process\n REAL( 8 ) :: DELNO3( N_MODE ) ! Change in Nitrate due to some process\n REAL( 8 ) :: DELNH4( N_MODE ) ! Change in Ammonium due to some process\n REAL( 8 ) :: DELCL( N_MODE ) ! Change in Chloride due to some process\n REAL( 8 ) :: DELH2O( N_MODE ) ! Change in Water due to some process\n REAL( 8 ) :: DELH3OP( N_MODE )! Change in Proton due to some process\n REAL( 8 ) :: CBUDGET0_NUM( N_MODE ) ! Initial Number before some process\n REAL( 8 ) :: CBUDGET0_SRF( N_MODE ) ! Initial Surface Area before some process\n REAL( 8 ) :: CBUDGET0_SO4( N_MODE ) ! Initial Sulfate before some process\n REAL( 8 ) :: CBUDGET0_NO3( N_MODE ) ! Initial Nitrate before some process\n REAL( 8 ) :: CBUDGET0_NH4( N_MODE ) ! Initial Ammonium before some process\n REAL( 8 ) :: CBUDGET0_CL( N_MODE ) ! Initial Chloride before some process\n REAL( 8 ) :: CBUDGET0_H2O( N_MODE ) ! Initial Particle Water before some process\n REAL( 8 ) :: CBUDGET0_H3OP( N_MODE )! Initial Proton before some process\n\n REAL( 8 ) :: TMP\n INTEGER I, N ! loop and array indices\n INTEGER IMODE ! mode loop index \n INTEGER ISTEP ! loop index, mass transfer time step loop\n INTEGER ISP ! loop index, species loop\n LOGICAL TrustIso ! For negative vap. press., TrustIso = F\n\nC *** Local Saved Variables \n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n LOGICAL, SAVE :: FIRSTWRITE = .TRUE.\n REAL( 8 ), SAVE :: SO4FAC ! F6DPIM9 / RHOSO4\n REAL( 8 ), SAVE :: SOILFAC ! F6DPIM9 / RHOSOIL\n REAL( 8 ), SAVE :: ANTHFAC ! F6DPIM9 / RHOANTH\n REAL( 8 ), SAVE :: H2SO4RAT ! Mol. wt ratios H2SO4/SO4\n REAL( 8 ), SAVE :: NH3RAT ! Mol. wt ratios NH3/NH4\n REAL( 8 ), SAVE :: HNO3RAT ! Mol. wt ratios HNO3/NO3\n REAL( 8 ), SAVE :: HCLRAT ! Mol. wt ratios HCL/CL \n REAL( 8 ), SAVE :: MWH2SO4 ! molecular weight for H2SO4\n REAL( 8 ), SAVE :: FAERH2SO4 ! 1e-6 / mw(h2so4)\n\n REAL( 8 ), SAVE :: CFAC_ANA\n REAL( 8 ), SAVE :: CFAC_ASO4\n REAL( 8 ), SAVE :: CFAC_ANH4\n REAL( 8 ), SAVE :: CFAC_ANO3\n REAL( 8 ), SAVE :: CFAC_ACL\n REAL( 8 ), SAVE :: CFAC_ACA\n REAL( 8 ), SAVE :: CFAC_AK\n REAL( 8 ), SAVE :: CFAC_AMG\n REAL( 8 ), SAVE :: CFAC_ASEACAT\n REAL( 8 ), SAVE :: CFAC_GNH3\n REAL( 8 ), SAVE :: CFAC_GHNO3\n REAL( 8 ), SAVE :: CFAC_GHCL\n\n REAL( 8 ), SAVE :: M3FAC_ANA\n REAL( 8 ), SAVE :: M3FAC_ASO4\n REAL( 8 ), SAVE :: M3FAC_ANH4\n REAL( 8 ), SAVE :: M3FAC_ANO3\n REAL( 8 ), SAVE :: M3FAC_ACL\n REAL( 8 ), SAVE :: M3FAC_H2O\n\n\n logical, save :: write1 = .true.\n\n#ifdef sens\n INTERFACE\n SUBROUTINE AERO_SENS( SCASI, W )\n CHARACTER( 15 ), INTENT( IN ) :: SCASI ! (INPUT) subcase number output\n REAL(KIND=8), INTENT( IN ) :: W( : ) ! (INPUT) WI concentrations \n END SUBROUTINE AERO_SENS\n END INTERFACE \n#endif\n\nC-----------------------------------------------------------------------\n \n IF ( FIRSTIME ) THEN\n \n FIRSTIME = .FALSE.\n#ifdef noiso\n write( logdev,* ) 'aero_subs, volinorg: noiso'\n#endif\n\n CFAC_ANA = 1.0D-6 / REAL( AEROSPC_MW( ANA_IDX ), 8 )\n CFAC_ASO4 = 1.0D-6 / REAL( AEROSPC_MW( ASO4_IDX ), 8 )\n CFAC_ANH4 = 1.0D-6 / REAL( AEROSPC_MW( ANH4_IDX ), 8 )\n CFAC_ANO3 = 1.0D-6 / REAL( AEROSPC_MW( ANO3_IDX ), 8 )\n CFAC_ACL = 1.0D-6 / REAL( AEROSPC_MW( ACL_IDX ), 8 )\n CFAC_ACA = 1.0D-6 / REAL( AEROSPC_MW( ACA_IDX ), 8 )\n CFAC_AK = 1.0D-6 / REAL( AEROSPC_MW( AK_IDX ), 8 )\n CFAC_AMG = 1.0D-6 / REAL( AEROSPC_MW( AMG_IDX ), 8 )\n CFAC_ASEACAT = 1.0D-6 / REAL( AEROSPC_MW( ASEACAT_IDX ), 8 )\n CFAC_GNH3 = 1.0D-6 / PRECURSOR_MW( NH3_IDX )\n CFAC_GHNO3= 1.0D-6 / PRECURSOR_MW( HNO3_IDX )\n CFAC_GHCL = 1.0D-6 / PRECURSOR_MW( HCL_IDX )\n\n M3FAC_ANA = 1.0D-9 * F6DPI / REAL( AEROSPC( ANA_IDX )%DENSITY, 8 )\n M3FAC_ASO4 = 1.0D-9 * F6DPI / REAL( AEROSPC( ASO4_IDX )%DENSITY, 8 )\n M3FAC_ANH4 = 1.0D-9 * F6DPI / REAL( AEROSPC( ANH4_IDX )%DENSITY, 8 )\n M3FAC_ANO3 = 1.0D-9 * F6DPI / REAL( AEROSPC( ANO3_IDX )%DENSITY, 8 )\n M3FAC_ACL = 1.0D-9 * F6DPI / REAL( AEROSPC( ACL_IDX )%DENSITY, 8 )\n M3FAC_H2O = 1.0D-9 * F6DPI / REAL( AEROSPC( AH2O_IDX )%DENSITY, 8 )\n\n MWH2SO4 = PRECURSOR_MW( SULF_IDX ) ! molecular weight for H2SO4\n FAERH2SO4 = 1.0E-6 / MWH2SO4\n\n COFCBAR_SO4 = SQRT( 8.0 * RGASUNIV / ( PI * REAL( MWH2SO4,4 ) * 1.0E-3 ) )\n H2SO4RATM1 = AEROSPC_MW( ASO4_IDX ) / MWH2SO4\n SO4FAC = 1.0D-9 * F6DPI / REAL( AEROSPC( ASO4_IDX )%DENSITY, 8 )\n SOILFAC = 1.0D-9 * F6DPI / REAL( AEROSPC( ASOIL_IDX )%DENSITY, 8 )\n ANTHFAC = 1.0D-9 * F6DPI / REAL( AEROSPC( ACORS_IDX )%DENSITY, 8 )\n\n DF( KNH4 ) = 1.0D0 / CFAC_ANH4\n DF( KNO3 ) = 1.0D0 / CFAC_ANO3\n DF( KCL ) = 1.0D0 / CFAC_ACL\n DFH2OR8 = 1.0D6 * MWWAT ! aerospc_mw(AH2O_IDX) (18.0 != 18.0153)\n\n ! Mol. wt ratios H2SO4/SO4, NH3/NH4, HNO3/NO3, HCL/CL\n H2SO4RAT= PRECURSOR_MW( SULF_IDX ) / REAL( AEROSPC_MW( ASO4_IDX ), 8 )\n NH3RAT = PRECURSOR_MW( NH3_IDX ) / REAL( AEROSPC_MW( ANH4_IDX ), 8 )\n HNO3RAT = PRECURSOR_MW( HNO3_IDX ) / REAL( AEROSPC_MW( ANO3_IDX ), 8 )\n HCLRAT = PRECURSOR_MW( HCL_IDX ) / REAL( AEROSPC_MW( ACL_IDX ), 8 )\n END IF\n\nC *** Determine if Hybrid\n TMP = 0.0\n#ifdef noiso\n hybrid = .false.\n#else\n DO I = 1, N_AEROSPC\n IF( AEROSPC( I )%tracer )CYCLE\n IF ( AEROSPC( I )%CHARGE .NE. 0 ) TMP = TMP + AEROSPC_CONC( I,N_MODE )\n END DO\n HYBRID = ( TMP .GE. CUTOFF ) .AND. ( AIRRH .GE. 0.18 )\n#endif\n\n DELT = REAL( DT, 8 )\n TEMPI = AIRTEMP ! assume const within synch timestep\n RHI = MIN( 0.95, AIRRH ) ! \" \" \" \" \"\n\nC *** Calculate molecular velocities (temperature dependent) and\nC H+ concentration\n\n CBAR_SO4 = COFCBAR_SO4 * SQRT( AIRTEMP )\n\n HPLUS = 0.0\n DO I = 1, N_MODE\n DO N = 1, N_AEROSPC\n IF( AEROSPC( N )%tracer )CYCLE\n HPLUS( I ) = HPLUS( I )\n & - AEROSPC( N )%CHARGE * AEROSPC_CONC( N,I ) / AEROSPC_MW( N )\n END DO\n END DO\n\nC *** Condensational Growth (Size-dependent terms)\nC Calculate intermediate variables needed to determine the 2nd and\nC 3rd moment condensational-growth rates. 3rd moment terms are \nC needed for the calculation of new particle production. See \nC Section 3.3 of Jiang & Roth (2003) for a detailed discussion.\nC \nC *** Set moments using Equation 4 of Binkowski & Shankar\nC (1995) or Equation 3 of Binkowski and Roselle (2003).\nC N.B: these are for a \"wet\" size distribution\n\n DO I = 1, N_MODE\n AM0( I ) = MOMENT0_CONC( I ) \n AM1( I ) = MOMENT0_CONC( I ) * AEROMODE_DIAM( I )\n & * EXP( 0.5 * AEROMODE_LNSG( I ) * AEROMODE_LNSG( I ) )\n AM2( I ) = MOMENT2_CONC( I )\n END DO\n \nC *** Calculate the size-dependent terms in the condensational-\nC growth factor expressions for sulfate using \nC Equations A13-A14 of Binkowski & Shankar (1995). \n \n DO I = 1, N_MODE\n CALL HCOND3( AM0( I ), AM1( I ), AM2( I ),\n & DV_SO4, ALPHSULF, CBAR_SO4, FCONC_OUT )\n FCONC_SO4( I, : ) = FCONC_OUT( : )\n END DO \n\n IF ( .NOT. HYBRID ) THEN\n FCONC_SO4( N_MODE,1 ) = 0.0D0\n FCONC_SO4( N_MODE,2 ) = 0.0D0\n END IF\n\n DO I = 1, N_MODE\n GRFAC1( I ) = FCONC_SO4( I,1 )\n GRFAC2( I ) = FCONC_SO4( I,2 )\n END DO\n\nC *** New Particle Production\nC Calculate the new particle production rate due to binary\nC nucleation of H2O and H2SO4. These calculations are performed \nC only when the gas-phase production rate of H2SO4 (i.e., SO4RATE) \nC is non-zero. The condensation rate of H2SO4 is calculated as the\nC gas-phase production rate minus the new particle production rate.\n\nC *** Initialize Variables\n DMDT_SO4 = 0.0D0\n DNDT = 0.0D0\n DM2DT = 0.0D0\n SCONDRATE = 0.0D0\n\n\nC *** Produce new particles only during time steps when the gas-phase \nC production rate of H2SO4 is non-zero\n\n IF ( SO4RATE .NE. 0.0D0 ) THEN\n\nC *** Adjust sulfuric acid vapor concentration to a value in\nC equilibrium with the production of new particles and the\nC condensation of sulfuric acid vapor on existing particles, based \nC on Equations A21 and A23 of Binkowski & Shankar (1995).\n TMP = 0.0\n DO I = 1, N_MODE\n TMP = TMP + FCONC_SO4( I,2 )\n END DO\n\n XH2SO4 = SO4RATE / REAL( TMP,4 )\n XH2SO4 = MAX( XH2SO4, CONMIN )\n !PRECURSOR_CONC( SULF_IDX ) = REAL( XH2SO4, 8 )\n\n#ifdef sens\n DO NP = 1, NPMAX\n IF ( XH2SO4 .EQ. CONMIN ) THEN\n S_PRECURSOR_CONC( SULF_IDX, NP ) = 0.D0\n ELSE\n S_PRECURSOR_CONC( SULF_IDX, NP ) = S_SO4RATE( NP ) / REAL(TMP,8)\n ENDIF\n END DO\n#endif\n\nC *** Calculate new particle production rate for 0th, 2nd, & 3rd moments\n CALL NEWPART3 ( AIRRH, AIRTEMP, XH2SO4, SO4RATE,\n & DNDT, DMDT_SO4, DM2DT )\n \nC *** Calculate sulfate condensation rate as the gas-phase production \nC rate minus the new particle production rate, following Equation\nC 3.23 of Jiang & Roth (2003).\n SCONDRATE = MAX( SO4RATE - DMDT_SO4, 0.0D0 )\n\n! *** Propagate NPF Change to budget variables\n NPF_BUDGET( PRECURSOR_MAP( SULF_IDX ) ) = -DMDT_SO4 \n & * H2SO4RAT * DELT ! ug m-3 of Sulfuric Acid\n ! (converted to ppmv in update_precursor)\n NPF_BUDGET( AEROSPC_MAP( ASO4_IDX,1 ) ) = DMDT_SO4 * DELT ! ug m-3\n NPF_BUDGET( AERONUM_MAP( 1 ) ) = DNDT * DELT ! N m-3\n NPF_BUDGET( AEROSRF_MAP( 1 ) ) = DM2DT * DELT ! m2 m-3\n\n END IF ! SO4RATE .NE. 0\n\nC *** Sulfate Condensation (Size-resolved)\nC Calculate rate at which condensing sulfate should be added to each\nC mode. The \"omega\" factors are defined in Equations 7a and 7b of\nC Binkowski & Shankar (1995). The i-mode and j-mode factors are \nC calculated using Equation A17 of Binkowski & Shankar (1995). The \nC condensation rate for accumulation mode (fine-equilibrium scheme) or \nC coarse mode (hybrid and dynamic schemes) is computed by difference, \nC to avoid mass conservation violations arising from numerical error.\n TMP = 0.0\n DO I = 1, N_MODE\n TMP = TMP + FCONC_SO4( I,2 )\n END DO\n\n FCONCM1_SO4 = 1.0D0 / TMP\n OMEGA_AT_SO4 = FCONCM1_SO4 * FCONC_SO4( 1,2 )\n OMEGA_AC_SO4 = FCONCM1_SO4 * FCONC_SO4( 2,2 )\n\nC *** Growth values for mode merge condition\n CGR( 1 ) = SO4FAC * SCONDRATE * OMEGA_AT_SO4\n CGR( 2 ) = SO4FAC * SCONDRATE * OMEGA_AC_SO4\n\n! *** Initialize Budget Counter Variables \n CBUDGET0_NUM( : ) = REAL( MOMENT0_CONC( : ), 8)\n CBUDGET0_NUM( 1 ) = CBUDGET0_NUM( 1 ) + DNDT * DELT\n CBUDGET0_SRF( : ) = MOMENT2_CONC( : ) * PI\n CBUDGET0_SRF( 1 ) = CBUDGET0_SRF( 1 ) + DM2DT * DELT * PI\n CBUDGET0_SO4( : ) = AEROSPC_CONC( ASO4_IDX, : )\n CBUDGET0_SO4( 1 ) = CBUDGET0_SO4( 1 ) + DMDT_SO4 * DELT\n CBUDGET0_NO3( : ) = REAL( AEROSPC_CONC( ANO3_IDX, : ), 8)\n CBUDGET0_NH4( : ) = REAL( AEROSPC_CONC( ANH4_IDX, : ), 8)\n CBUDGET0_CL ( : ) = REAL( AEROSPC_CONC( ACL_IDX , : ), 8)\n CBUDGET0_H2O( : ) = REAL( AEROSPC_CONC( AH2O_IDX, : ), 8)\n CBUDGET0_H3OP( : )= REAL( AEROSPC_CONC( AH3OP_IDX, : ), 8)\n\n! *** Diagnose Condensaiton Sink to Each Mode\n CONDSO4( 1 ) = OMEGA_AT_SO4 * SCONDRATE \n \n IF ( HYBRID ) THEN \n CONDSO4( 2 ) = OMEGA_AC_SO4 * SCONDRATE \n CONDSO4( 3 ) = SCONDRATE - ( CONDSO4( 1 ) + CONDSO4( 2 ) ) \n ELSE ! fine equilibrium\n CONDSO4( 2 ) = SCONDRATE - CONDSO4( 1 )\n CONDSO4( 3 ) = 0.0D0 ! no coarse mode chemistry\n END IF\n\nC *** For Hybrid approach, calculate dynamic mass trasfer for\nC semi-volatile components of coarse mode (NO3, CL, NH4) \n\n IF ( HYBRID ) THEN \n\n CNTRL( 1 ) = 1.0D0 ! reverse problem\n CNTRL( 2 ) = 1.0D0 ! aerosol in metastable state\n\n INT_TIME = 0.0D0\n TSTEP = 90.0D0\n ISTEP = 1\n IMODE = 3\n TrustIso = .TRUE.\n \n DO WHILE ( INT_TIME .LT. DELT ) \n\n IF ( INT_TIME + TSTEP .GT. DELT ) TSTEP = DELT - INT_TIME \n INT_TIME = INT_TIME + TSTEP \n ISTEP = ISTEP + 1 \n\nC *** Calculate first moments using Equation 4 of Binkowski & Shankar\nC (1995) or Equation 3 of Binkowski and Roselle (2003).\nC N.B: these are for a \"wet\" size distribution\n AM0( IMODE ) = MOMENT0_CONC( IMODE )\n AM1( IMODE ) = MOMENT0_CONC( IMODE ) * AEROMODE_DIAM( IMODE )\n & * EXP( 0.5 * AEROMODE_LNSG( IMODE ) * AEROMODE_LNSG( IMODE ) )\n AM2( IMODE ) = MOMENT2_CONC( IMODE )\n\nC *** Calculate the size-dependent terms in the condensational-\nC growth factor expressions for sulfate using \nC Equations A13-A14 of Binkowski & Shankar (1995). \n CALL HCOND3( AM0( IMODE ), AM1( IMODE ), AM2( IMODE ), DV_SO4, ALPHSULF, \n & CBAR_SO4, FCONC_OUT ) ! adapted from Eq A14\n FCONC_SO4( IMODE, : ) = FCONC_OUT( : )\n\n GRFAC1( IMODE ) = FCONC_SO4( IMODE,1 ) \n GRFAC2( IMODE ) = FCONC_SO4( IMODE,2 ) \n\nC *** Set conc array to aerosol concentrations prior to mass transfer\nC (The _RENORM and cation_FAC constants are set in the AERO_DATA module)\n\n SEACAT = REAL( AEROSPC_CONC( ASEACAT_IDX,IMODE ), 8 ) \n SOILwVOLS = REAL( AEROSPC_CONC( ASOIL_IDX,IMODE ), 8 ) / ASOIL_RENORM \n PMCwVOLS = REAL( AEROSPC_CONC( ACORS_IDX,IMODE ), 8 ) / ACORSEM_RENORM \n\n CINORG( KNH4,IMODE ) = REAL( AEROSPC_CONC( ANH4_IDX,IMODE ), 8 ) ! KNH4 = 1, ANH4_IDX = 4\n CINORG( KNO3,IMODE ) = REAL( AEROSPC_CONC( ANO3_IDX,IMODE ), 8 ) ! KNO3 = 2, ANO3_IDX = 2\n CINORG( KCL, IMODE ) = REAL( AEROSPC_CONC( ACL_IDX,IMODE ), 8 ) ! KCL = 3, ACL_IDX = 3\n CINORG( KSO4,IMODE ) = REAL( AEROSPC_CONC( ASO4_IDX,IMODE ), 8 ) ! KSO4 = 4, ASO4_IDX = 1\n CINORG( KNA, IMODE ) = ASCAT_NA_FAC * SEACAT ! KNA = 5\n & + ASOIL_NA_FAC * SOILwVOLS\n & + ACORS_NA_FAC * PMCwVOLS\n CINORG( KMG, IMODE ) = ASCAT_MG_FAC * SEACAT ! KMG = 6\n & + ASOIL_MG_FAC * SOILwVOLS\n & + ACORS_MG_FAC * PMCwVOLS\n CINORG( KK, IMODE ) = ASCAT_K_FAC * SEACAT ! KK = 7\n & + ASOIL_K_FAC * SOILwVOLS\n & + ACORS_K_FAC * PMCwVOLS\n CINORG( KCA, IMODE ) = ASCAT_CA_FAC * SEACAT ! KCA = 8\n & + ASOIL_CA_FAC * SOILwVOLS\n & + ACORS_CA_FAC * PMCwVOLS\n CINORG( KHP, IMODE ) = REAL( HPLUS( IMODE ), 8 ) ! KHP = 9\n\n M3OTHR = SOILFAC * AEROSPC_CONC( ASOIL_IDX,IMODE )\n & + ANTHFAC * AEROSPC_CONC( ACORS_IDX,IMODE )\n WETM3 = MOMENT3_CONC( IMODE )\n WETM2 = MOMENT2_CONC( IMODE )\n DRYM3 = WETM3 - REAL( H2OFAC * AEROSPC_CONC( AH2O_IDX, IMODE ), 8 ) ! Assume no SOA in coarse mode\n DRYM20 = WETM2 * ( DRYM3 / WETM3 ) ** D_TWOTHIRDS\n\nC *** Initial vapor-phase concentrations [ug/m3]\n GNO3R8 = PRECURSOR_CONC( HNO3_IDX )\n GNH3R8 = PRECURSOR_CONC( NH3_IDX )\n GCLR8 = PRECURSOR_CONC( HCL_IDX )\n\nC *** Compute sulfate production rate [ug/m3 s] for coarse mode\n\n RATE = CONDSO4( IMODE )\n SO4 = CINORG( KSO4,IMODE ) + RATE * TSTEP * H2SO4RATM1\n\n IF ( TrustIso ) THEN\n\nC *** Double Precision vars for ISORROPIA [mole/m3]\nC Compute equilibrium vapor pressures [mol/m3] of NH3, HNO3, and HCL\nC at the gas/particle interface of coarse mode aerosol.\nC GAS(1) = NH3, GAS(2) = HNO3, GAS(3) = HCl\n WI( 1 ) = CINORG( KNA, IMODE ) * CFAC_ANA\n WI( 2 ) = SO4 * CFAC_ASO4\n WI( 3 ) = CINORG( KNH4,IMODE ) * CFAC_ANH4\n WI( 4 ) = CINORG( KNO3,IMODE ) * CFAC_ANO3\n WI( 5 ) = CINORG( KCL, IMODE ) * CFAC_ACL\n WI( 6 ) = CINORG( KCA, IMODE ) * CFAC_ACA\n WI( 7 ) = CINORG( KK, IMODE ) * CFAC_AK\n WI( 8 ) = CINORG( KMG, IMODE ) * CFAC_AMG\nC Also obtain the aqueous H+ concentration, AERLIQ(1) [mol/m3]\n\n#ifdef verbose_aero\n if ( write1 ) then\n write( logdev,'(a, 8e13.3)' ) \"VOLINORG,WI's C:\",\n & wi( 1 ), wi( 2 ), wi( 3 ), wi( 4 ),\n & wi( 5 ), wi( 6 ), wi( 7 ), wi( 8 )\n write( logdev,* ) \"VOLINORG,RH,T:\", rhi, tempi\n end if\n#endif\n\n CALL ISOROPIA( WI, RHI, TEMPI, CNTRL, WT, GAS, AERLIQ, \n & AERSLD, SCASI, OTHER )\n\n IF ( GAS( 1 ) .LT. 0.0D0 .OR. GAS( 2 ) .LT. 0.0D0 .OR.\n & GAS( 3 ) .LT. 0.0D0 ) THEN\n IF ( FIRSTWRITE ) THEN\n FIRSTWRITE = .FALSE.\n WRITE( LOGDEV,2023 )\n END IF\n WRITE( LOGDEV,2029 ) COL, ROW, LAYER, GAS( 1 ), GAS( 2 ), GAS( 3 )\n TrustIso = .FALSE.\n END IF\n\n END IF ! TrustIso\n\nC *** Change in volatile inorganic PM concentration to achieve\nC equilibrium, calculated as initial-gas-phase concentration minus \nC equilibrium gas-phase concentration. DVOLINORG is positive for\nC condensation and negative for evaporation.\n\n#ifdef verbose_aero\n if ( write1 ) then\n write( logdev,'(a, 3e13.3)' ) \"GASes:\", gas( 1 ), gas( 2 ), gas( 3 )\n\n dvolinorg( knh4 ) = gnh3r8 * CFAC_GNH3 - gas( 1 ) ! [mol/m**3]\n dvolinorg( kno3 ) = gno3r8 * CFAC_GHNO3 - gas( 2 ) ! [mol/m**3]\n dvolinorg( kcl ) = gclr8 * CFAC_GHCL - gas( 3 ) ! [mol/m**3]\n \n write( logdev,'(a, 3e13.3)' ) \"DVOLINORG_coarse:\",\n & dvolinorg( knh4 ) / ( gnh3r8 * CFAC_GNH3 ),\n & dvolinorg( kno3 ) / ( gno3r8 * CFAC_GHNO3),\n & dvolinorg( kcl ) / ( gclr8 * CFAC_GHCL )\n end if\n#endif\n\nC *** Calculate condensation/evaporation flux for this time step and update \nC volatile species concentrations. Final aerosol conc set to be no less\nC than the minimum aerosol conc.\n IF ( TrustIso ) THEN\n CALL COMPUTE_FLUX( NVOLINORG, GNH3R8, GNO3R8, GCLR8, KNH4,\n & KNO3, KCL, GAS( 1:3 ), GRFAC2( IMODE ),\n & AERLIQ( 1 ), RATE, J )\n ELSE\n J( : ) = 0.0D0\n END IF \n\n IF ( J( KNH4 ) * TSTEP * DF( KNH4 ) * NH3RAT .GT. GNH3R8 ) THEN\n WRITE( LOGDEV,* ) 'Condensed amt. exceeds NH3 conc: aero_subs.f'\n J( KNH4 ) = GNH3R8 / ( TSTEP * DF( KNH4 ) * NH3RAT )\n END IF\n IF ( J( KNO3 ) * TSTEP * DF( KNO3 ) * HNO3RAT .GT. GNO3R8 ) THEN\n WRITE( LOGDEV,* ) 'Condensed amt. exceeds HNO3 conc: aero_subs.f'\n J( KNO3 ) = GNO3R8 / ( TSTEP * DF( KNO3 ) * HNO3RAT )\n END IF\n IF ( J( KCL ) * TSTEP * DF(KCL) * HCLRAT .GT. GCLR8 ) THEN\n WRITE( LOGDEV,* ) 'Condensed amt. exceeds HCl conc: aero_subs.f'\n J( KCL ) = GCLR8 / ( TSTEP * DF( KCL ) * HCLRAT )\n END IF\n\nC *** Integrate mass transfer equation, convert flux from molar to mass\n\n DO ISP = 1, NVOLINORG\n CFINAL( ISP,IMODE ) = MAX( 0.0D0,\n & CINORG( ISP,IMODE )\n & + J( ISP ) * TSTEP * DF( ISP ) )\n END DO \n\nC *** Calculate updated H+ concentration \n\n HPLUS( IMODE ) = 0.0\n & - AEROSPC( ASO4_IDX )%CHARGE * SO4 / AEROSPC_MW( ASO4_IDX )\n & - AEROSPC( ANO3_IDX )%CHARGE * CFINAL( KNO3,IMODE ) / AEROSPC_MW( ANO3_IDX )\n & - AEROSPC( ACL_IDX )%CHARGE * CFINAL( KCL, IMODE ) / AEROSPC_MW( ACL_IDX )\n & - AEROSPC( ANH4_IDX )%CHARGE * CFINAL( KNH4,IMODE ) / AEROSPC_MW( ANH4_IDX )\n! & - AEROSPC( ANA_IDX )%CHARGE * CINORG( KNA, IMODE ) / AEROSPC_MW( ANA_IDX )\n & - AEROSPC( ASEACAT_IDX )%CHARGE * CINORG( KNA, IMODE ) / AEROSPC_MW( ASEACAT_IDX )\n & - AEROSPC( AMG_IDX )%CHARGE * CINORG( KMG, IMODE ) / AEROSPC_MW( AMG_IDX )\n & - AEROSPC( AK_IDX )%CHARGE * CINORG( KK, IMODE ) / AEROSPC_MW( AK_IDX )\n & - AEROSPC( ACA_IDX )%CHARGE * CINORG( KCA, IMODE ) / AEROSPC_MW( ACA_IDX )\n\nC *** Equilibrate aerosol LWC with CFINAL by calling CALC_H2O\n WI( 1 ) = CINORG( KNA, IMODE ) * CFAC_ASEACAT\n WI( 2 ) = SO4 * CFAC_ASO4\n WI( 3 ) = CFINAL( KNH4,IMODE ) * CFAC_ANH4\n WI( 4 ) = CFINAL( KNO3,IMODE ) * CFAC_ANO3\n WI( 5 ) = CFINAL( KCL, IMODE ) * CFAC_ACL\n WI( 6 ) = CINORG( KCA, IMODE ) * CFAC_ACA\n WI( 7 ) = CINORG( KK, IMODE ) * CFAC_AK\n WI( 8 ) = CINORG( KMG, IMODE ) * CFAC_AMG\n\n CALL CALC_H2O( WI, RHI, TEMPI, H2O_NEW ) \n\n H2O = H2O_NEW * DFH2OR8 \n\nC *** Update all Local Aerosol Mass and Vapor Concentrations \n !Aerosol\n AEROSPC_CONC( ANH4_IDX,IMODE ) = REAL( CFINAL( KNH4,IMODE ),4 )\n AEROSPC_CONC( ANO3_IDX,IMODE ) = REAL( CFINAL( KNO3,IMODE ),4 )\n AEROSPC_CONC( ACL_IDX,IMODE ) = REAL( CFINAL( KCL, IMODE ),4 )\n AEROSPC_CONC( ASO4_IDX,IMODE ) = REAL( SO4,4 )\n AEROSPC_CONC( AH2O_IDX,IMODE ) = REAL( H2O,4 )\n\n !Gas\n PRECURSOR_CONC( NH3_IDX ) = GNH3R8 + ( CINORG( KNH4,IMODE )\n & -CFINAL( KNH4,IMODE ) ) * NH3RAT \n PRECURSOR_CONC( HNO3_IDX )= GNO3R8 + ( CINORG( KNO3,IMODE )\n & -CFINAL( KNO3,IMODE) ) * HNO3RAT \n PRECURSOR_CONC( HCL_IDX ) = GCLR8 + ( CINORG( KCL,IMODE )\n & -CFINAL( KCL,IMODE) ) * HCLRAT \n \nC *** Compute net change in 3rd moment due to dry inorganic mass transfer\n\n DDRYM3DT = ( ( CFINAL( KNH4,IMODE ) - CINORG( KNH4,IMODE ) ) * M3FAC_ANH4\n & + ( CFINAL( KNO3,IMODE ) - CINORG( KNO3,IMODE ) ) * M3FAC_ANO3\n & + ( CFINAL( KCL, IMODE ) - CINORG( KCL,IMODE ) ) * M3FAC_ACL\n & + ( SO4 - CINORG( KSO4,IMODE ) ) * M3FAC_ASO4 ) / TSTEP\n\nC *** Compute net change in 2nd moment due to dry inorganic mass transfer\nC (including nucleation) using equation A7 of Binkowski & Shankar (1995)\n DDRYM2DT = D_TWOTHIRDS * GRFAC1( IMODE ) / GRFAC2( IMODE ) * DDRYM3DT \n\nC *** Update dry 2nd moment for condensation/evaporation based on whether\nC net change in dry 2nd moment is production or loss\n IF ( DDRYM2DT .LT. 0.0D0 ) THEN\n LOSS = DDRYM2DT / DRYM20\n Y = DRYM20 * EXP( LOSS * TSTEP )\n ELSE\n Y = DRYM20 + DDRYM2DT * TSTEP\n END IF\n\nC *** Add water (no SOA) 2nd moment while preserving standard deviation\n\n !Calculate 3rd Moment\n DRYM3 = ( M3FAC_ASO4 ) * SO4\n & + M3FAC_ANH4 * CFINAL( KNH4,IMODE )\n & + M3FAC_ANO3 * CFINAL( KNO3,IMODE )\n & + M3FAC_ACL * CFINAL( KCL,IMODE )\n & + M3FAC_ANA * SEACAT\n & + M3OTHR \n WETM3 = DRYM3 + H2O * M3FAC_H2O\n\n !Calculate 2nd moment\n DRYM2 = MAX( REAL( AEROMODE_MINM2( IMODE ), 8 ), Y )\n WETM2 = DRYM2 * ( WETM3 / DRYM3 ) ** D_TWOTHIRDS\n\n MOMENT2_CONC( IMODE ) = REAL( WETM2,4 )\n\nC *** Update the third moments, geometric mean diameters, geometric \nC standard deviations, modal mass totals, and modal particle \nC densities. It is a waste of time updating the aitken and\nC accumulation modes but the coarse mode does need to be updated\nC each sub-time step. This should be for the wet distribution\n \n CALL GETPAR( .TRUE. )\n\n END DO ! end mass transfer time step loop\n \n END IF ! for 'Hybrid' method\n\n write1 = .false.\nC *** End of Coarse Mode dynamic mass transfer calculations\n\nC *** Fine Aerosol Modes: Call ISORROPIA in forward mode to calculate gas-particle equilibrium\n !Get Precursors Vapor concentrations [ug m-3]\n GNH3R8 = PRECURSOR_CONC( NH3_IDX ) \n GNO3R8 = PRECURSOR_CONC( HNO3_IDX ) \n GCLR8 = PRECURSOR_CONC( HCL_IDX )\n\nC *** Diagnose all total gas+particle concentrations to passed to\nC ISORROPIA. Convert everything to [mol m-3].\n WI( 1 ) = SUM( AEROSPC_CONC( ANA_IDX,1:2 )) * CFAC_ANA\n !Compute sulfate from total sulfate production rate [ug/m3-s] for fine \n !modes; add in H2SO4 nucleated in model timestep\n WI( 2 ) = ( SUM( AEROSPC_CONC( ASO4_IDX,1:2 ) ) \n & +( DMDT_SO4 + SUM( CONDSO4( 1:2 ) ) ) * DELT * H2SO4RATM1 ) * CFAC_ASO4\n WI( 3 ) = PRECURSOR_CONC( NH3_IDX ) * CFAC_GNH3\n & +SUM( AEROSPC_CONC( ANH4_IDX,1:2 ) ) * CFAC_ANH4 \n WI( 4 ) = PRECURSOR_CONC( HNO3_IDX ) * CFAC_GHNO3\n & +SUM( AEROSPC_CONC( ANO3_IDX,1:2 ) ) * CFAC_ANO3 \n WI( 5 ) = PRECURSOR_CONC( HCL_IDX ) * CFAC_GHCL \n & +SUM( AEROSPC_CONC( ACL_IDX,1:2 ) ) * CFAC_ACL \n WI( 6 ) = SUM( AEROSPC_CONC( ACA_IDX,1:2 ) ) * CFAC_ACA \n WI( 7 ) = SUM( AEROSPC_CONC( AK_IDX,1:2 ) ) * CFAC_AK \n WI( 8 ) = SUM( AEROSPC_CONC( AMG_IDX,1:2 ) ) * CFAC_AMG \n\n CNTRL( 1 ) = 0.0D0 ! Forward Problem\n CNTRL( 2 ) = 1.0D0 ! Aerosol in Metastable State\n\nC *** Set flags to account for mass conservation violations in ISRP3F\n TRUSTCL = .TRUE.\n IF ( (WI( 1 ) + WI( 5 )) .LT. 1.0D-20 .or. WI( 5 ) .LT. 1.0D-10 ) THEN\n TRUSTCL = .FALSE.\n END IF\n \n#ifndef noiso\n CALL ISOROPIA( WI, RHI, TEMPI, CNTRL, WT, GAS, AERLIQ,\n & AERSLD, SCASI, OTHER )\n\n#ifdef sens\n CALL AERO_SENS( SCASI, WI )\n#endif\n\nC *** Save H+ concentration information in microgram/m3 for consistency\n EQLBHIJ = AERLIQ(1) * 1.0D6 * AEROSPC_MW( ah3op_idx)\n\n#else\n gas( 1 ) = real( precursor_conc( nh3_idx ), 8 ) * CFAC_GNH3\n gas( 2 ) = real( precursor_conc( hno3_idx ), 8 ) * CFAC_GHNO3\n gas( 3 ) = real( precursor_conc( hcl_idx ), 8 ) * CFAC_GHCL\n\n EQLBHIJ = HPLUS( 1 ) + HPLUS( 2 ) ! use charge balance if lacking isoropia info \n\n#endif\n\nC *** Change in volatile inorganic PM concentration to achieve\nC equilibrium, calculated as initial-gas-phase concentration minus \nC equilibrium gas-phase concentration. DVOLINORG is positive for\nC condensation and negative for evaporation.\n DVOLINORG( KNH4 ) = GNH3R8 * CFAC_GNH3 - GAS( 1 ) ! mol m-3\n DVOLINORG( KNO3 ) = GNO3R8 * CFAC_GHNO3 - GAS( 2 ) ! mol m-3\n DVOLINORG( KCL ) = GCLR8 * CFAC_GHCL - GAS( 3 ) ! mol m-3\n\n IF ( DVOLINORG( KNH4 ) .LT. 0.0D0 ) THEN\n DVOLMAX = -SUM(REAL( AEROSPC_CONC( ANH4_IDX,1:2 ), 8 ) ) * CFAC_ANH4 + EVAPMIND\n DVOLINORG( KNH4 ) = MAX( DVOLINORG( KNH4 ), DVOLMAX )\n END IF\n\n IF ( DVOLINORG( KNO3 ) .LT. 0.0D0 ) THEN\n DVOLMAX = -SUM(REAL( AEROSPC_CONC( ANO3_IDX,1:2 ), 8 ) ) * CFAC_ANO3 + EVAPMIND\n DVOLINORG( KNO3 ) = MAX( DVOLINORG( KNO3 ), DVOLMAX)\n END IF\n\n IF ( .not.TRUSTCL ) THEN \n DVOLINORG( KCL ) = 0.0D0\n ELSEIF ( DVOLINORG( KCL ) .LT. 0.0D0 ) THEN\n DVOLMAX = -SUM(REAL( AEROSPC_CONC( ACL_IDX,1:2 ), 8 ) ) * CFAC_ACL + EVAPMIND\n DVOLINORG( KCL ) = MAX( DVOLINORG( KCL ), DVOLMAX )\n END IF\n\nC *** Apply modal partitioning of equilibrium aerosol mass\n ! Calculate Distribution of Mass Transfer Among Modes\n OMEGA( 1 ) = GRFAC2( 1 ) / ( GRFAC2( 1 ) + GRFAC2( 2 ) )\n OMEGA( 2 ) = 1.0D0 - OMEGA( 1 )\n\n ! Save Initial Concentrations\n DO IMODE = 1, 2 \n CINORG( KSO4,IMODE ) = AEROSPC_CONC( ASO4_IDX, IMODE )\n CINORG( KNH4,IMODE ) = AEROSPC_CONC( ANH4_IDX, IMODE )\n CINORG( KNO3,IMODE ) = AEROSPC_CONC( ANO3_IDX, IMODE )\n CINORG( KNA, IMODE ) = AEROSPC_CONC( ANA_IDX, IMODE )\n CINORG( KCL, IMODE ) = AEROSPC_CONC( ACL_IDX, IMODE )\n CINORG( KCA, IMODE ) = AEROSPC_CONC( ACA_IDX, IMODE )\n CINORG( KK, IMODE ) = AEROSPC_CONC( AK_IDX, IMODE )\n CINORG( KMG, IMODE ) = AEROSPC_CONC( AMG_IDX, IMODE )\n END DO\n\n ! Calculate Initial Distribution of Mass Composition Among Modes\n DO ISP = 1, NVOLINORG\n TOTAER( ISP ) = MAX( SUM( CINORG( ISP,1:2 ) ), CONMIND )\n DO IMODE = 1, 2\n PHI( ISP, IMODE ) = CINORG( ISP,IMODE ) / TOTAER( ISP )\n ENDDO\n ENDDO\n\n ! Initialize Final Concentrations\n CFINAL = 0.0\n\n ! Calculate Final Concentrations\n DO ISP = 1, NVOLINORG\n IF ( DVOLINORG( ISP ) .LT. 0.0 ) THEN\n ! Evaporate Mass Using Condensed-Phase Fraction in each Mode\n CFINAL( ISP,1:2 ) = CFINAL( ISP,1:2 ) + CINORG( ISP,1:2 )\n & + PHI( ISP,1:2 ) * DVOLINORG( ISP ) * DF( ISP )\n ELSE\n ! Condense Mass Using Condensation Sink Factors\n CFINAL( ISP,1:2 ) = CFINAL( ISP,1:2 ) + CINORG( ISP,1:2 )\n & + OMEGA( 1:2 ) * DVOLINORG( ISP ) * DF( ISP )\n END IF\n END DO\n\nC *** Apply Final Concentrations to Moment Variables in Aerosol Scheme\n ! Store Initial Wet Moments\n M3WET_INIT( : ) = MOMENT3_CONC( : )\n M2WET_INIT( : ) = MOMENT2_CONC( : )\n\n ! Calculate and Store Initial Dry Moments and set wet_moments_flag to false/dry\n ! There has not yet been an update to AEROSPC_CONC so this will\n ! calculate the old 3rd moment.\n call calcmoments( .false. )\n M3DRY_INIT( : ) = MOMENT3_CONC( : )\n M2DRY_INIT( : ) = MOMENT2_CONC( : )\n\n DO IMODE = 1, 2 ! modal partitioning of equilibrium aerosol mass\n\n IF ( IMODE .EQ. 1 ) THEN\n ! Update Number Concentration with NPF\n MOMENT0_CONC( IMODE ) = REAL( AM0(IMODE) + DNDT * DELT, 4 )\n ! Add NPF to total condensation rate\n RATE = DMDT_SO4 + CONDSO4( IMODE )\n SO4 = CINORG( KSO4,IMODE ) + RATE * DELT * H2SO4RATM1 \n ELSE\n ! Ignore NPF. The small particles are not in these modes\n SO4 = CINORG( KSO4,IMODE ) + CONDSO4( IMODE ) * DELT * H2SO4RATM1\n END IF\n\nC *** Double precision vars for CALC_H2O\n WI( 1 ) = CINORG( KNA, IMODE ) * CFAC_ANA\n WI( 2 ) = SO4 * CFAC_ASO4\n WI( 3 ) = CFINAL( KNH4,IMODE ) * CFAC_ANH4\n WI( 4 ) = CFINAL( KNO3,IMODE ) * CFAC_ANO3\n WI( 5 ) = CFINAL( KCL, IMODE ) * CFAC_ACL\n WI( 6 ) = CINORG( KCA, IMODE ) * CFAC_ACA\n WI( 7 ) = CINORG( KK, IMODE ) * CFAC_AK\n WI( 8 ) = CINORG( KMG, IMODE ) * CFAC_AMG\n\n CALL CALC_H2O( WI, RHI, TEMPI, H2O_NEW ) \n \n ! Update All Aerosol Concentrations\n AEROSPC_CONC( AH2O_IDX, IMODE ) = REAL( H2O_NEW * DFH2OR8, 4 )\n AEROSPC_CONC( ANH4_IDX, IMODE ) = REAL( CFINAL( KNH4,IMODE ),4 )\n AEROSPC_CONC( ANO3_IDX, IMODE ) = REAL( CFINAL( KNO3,IMODE ),4 )\n AEROSPC_CONC( ACL_IDX, IMODE ) = REAL( CFINAL( KCL ,IMODE ),4 )\n AEROSPC_CONC( ASO4_IDX, IMODE ) = REAL( SO4,4 )\n\nC *** Compute net change in 3rd moment due to dry inorganic mass transfer\nC (includes nucleated sulfate mass). This is for projecting the\nC change to the second moment due to dry inorganic condensation\n \n DDRYM3DT = ( ( CFINAL( KNH4,IMODE ) - CINORG( KNH4,IMODE ) ) * M3FAC_ANH4\n & + ( CFINAL( KNO3,IMODE ) - CINORG( KNO3,IMODE ) ) * M3FAC_ANO3\n & + ( CFINAL( KCL, IMODE ) - CINORG( KCL,IMODE ) ) * M3FAC_ACL\n & + ( SO4 - CINORG( KSO4,IMODE ) ) * M3FAC_ASO4 ) \n & / DELT \n\nC *** Compute net change in 2nd moment due to dry inorganic mass transfer\nC (including nucleation) using equation A7 of Binkowski & Shankar (1995)\n DDRYM2DT = D_TWOTHIRDS * GRFAC1( IMODE ) / GRFAC2( IMODE ) * DDRYM3DT\n\nC *** Update dry 2nd moment for condensation/evaporation based on whether\nC net change in dry 2nd moment is production or loss\n IF ( DDRYM2DT .LT. 0.0D0 ) THEN\n LOSS = DDRYM2DT / M2DRY_INIT( IMODE )\n Y = M2DRY_INIT( IMODE ) * EXP( LOSS * DELT )\n ELSE\n Y = M2DRY_INIT( IMODE ) + DDRYM2DT * DELT\n END IF\n moment2_conc( IMODE ) = REAL( MAX( REAL( AEROMODE_MINM2( IMODE ), 8 ), Y ),4 )\n\n END DO\n\nC *** Add water and SOA to 2nd moment while preserving standard deviation\n call calcmoments( .true. )\n M3WET_FINAL = moment3_conc\n M2WET_FINAL = moment2_conc\n\nC *** Assign H+ Concentration to each Mode\n HPLUS( 1:2 ) = 0.0\n DO I = 1, N_AEROSPC\n IF( AEROSPC( I )%tracer )CYCLE\n HPLUS( 1:2 ) = HPLUS( 1:2 )\n & - AEROSPC( I )%CHARGE * AEROSPC_CONC( I,1:2 ) / AEROSPC_MW( I )\n END DO\n\n H2O = AEROSPC_CONC( AH2O_IDX, 1 ) + AEROSPC_CONC( AH2O_IDX, 2 )\n IF( H2O .GT. CONMIN )THEN\n H2O = 1.0 / H2O\n AEROSPC_CONC( AH3OP_IDX, 1:2 ) = REAL( EQLBHIJ * H2O, 4 ) * AEROSPC_CONC( AH2O_IDX, 1:2 ) \n ELSE\n AEROSPC_CONC( AH3OP_IDX, 1:2 ) = CONMIN\n END IF\n AEROSPC_CONC( AH3OP_IDX, 3 ) = REAL( HPLUS( 3 ),4 ) * AEROSPC_MW( ah3op_idx ) ! Coarse mode H+ concentration in ug/m3\n\nC *** Update the third moments, geometric mean diameters, geometric \nC standard deviations, modal mass totals, and modal particle \nC densities. Note that moment2_conc needs to be up to date when this\nC routine is called. Moment3_conc does not need to be up to date\nC because it will be recalculated inside GETPAR as the sum of \nC aerospc_conc variables. This should be for the wet distribution.\n CALL GETPAR( .TRUE. )\n \n! *** Propagate Concentration Changes from Coarse-Mode Mass\n! *** Transfer to Budget Vectors\n DELNUM( : ) = MOMENT0_CONC( : ) - CBUDGET0_NUM( : )\n DELSRF( : ) = MOMENT2_CONC( : ) * PI - CBUDGET0_SRF( : )\n DELSO4( : ) = AEROSPC_CONC( ASO4_IDX, : ) - CBUDGET0_SO4( : )\n DELNH4( : ) = AEROSPC_CONC( ANH4_IDX, : ) - CBUDGET0_NH4( : )\n DELNO3( : ) = AEROSPC_CONC( ANO3_IDX, : ) - CBUDGET0_NO3( : )\n DELCL( : ) = AEROSPC_CONC( ACL_IDX , : ) - CBUDGET0_CL( : )\n DELH2O( : ) = AEROSPC_CONC( AH2O_IDX, : ) - CBUDGET0_H2O( : )\n DELH3OP( : ) = AEROSPC_CONC( AH3OP_IDX,: ) - CBUDGET0_H3OP( : )\n\n COND_BUDGET( AERONUM_MAP( : ) ) = REAL( DELNUM( : ), 4 )\n COND_BUDGET( AEROSRF_MAP( : ) ) = REAL( DELSRF( : ), 4 )\n COND_BUDGET( AEROSPC_MAP( ASO4_IDX,: ) ) = REAL( DELSO4( : ), 4 )\n COND_BUDGET( AEROSPC_MAP( ANH4_IDX,: ) ) = REAL( DELNH4( : ), 4 )\n COND_BUDGET( AEROSPC_MAP( ANO3_IDX,: ) ) = REAL( DELNO3( : ), 4 )\n COND_BUDGET( AEROSPC_MAP( ACL_IDX ,: ) ) = REAL( DELCL( : ) , 4 )\n COND_BUDGET( AEROSPC_MAP( AH2O_IDX,: ) ) = REAL( DELH2O( : ), 4 )\n COND_BUDGET( AEROSPC_MAP( AH3OP_IDX,:) ) = REAL( DELH3OP( : ),4 )\n\n COND_BUDGET( PRECURSOR_MAP( SULF_IDX ) ) = SUM( REAL( -DELSO4(:) * H2SO4RAT, 4 ))\n COND_BUDGET( PRECURSOR_MAP( NH3_IDX ) ) = SUM( REAL( -DELNH4(:) * NH3RAT , 4 ))\n COND_BUDGET( PRECURSOR_MAP( HNO3_IDX ) ) = SUM( REAL( -DELNO3(:) * HNO3RAT , 4 ))\n COND_BUDGET( PRECURSOR_MAP( HCL_IDX ) ) = SUM( REAL( -DELCL(:) * HCLRAT , 4 ))\n\n \nC *** Update gas-phase concentrations from Aitken and Accumulation Mode Partitioning\n PRECURSOR_CONC( SULF_IDX ) = PRECURSOR_CONC( SULF_IDX )\n & +SUM( -DELSO4(:) * H2SO4RAT )\n PRECURSOR_CONC( NH3_IDX ) = GNH3R8 + sum( CINORG( KNH4,1:2 )\n & -CFINAL( KNH4,1:2 ) ) * NH3RAT \n PRECURSOR_CONC( HNO3_IDX ) = GNO3R8 + sum( CINORG( KNO3,1:2 )\n & -CFINAL( KNO3,1:2) ) * HNO3RAT \n PRECURSOR_CONC( HCL_IDX ) = GCLR8 + sum( CINORG( KCL,1:2 )\n & -CFINAL( KCL,1:2) ) * HCLRAT \n\n2023 FORMAT( 1X, 'VOLINORG returning negative gas concentrations from ISOROPIA:'\n & /10X, 'GAS(1) = NH3, GAS(2) = HNO3, GAS(3) = HCl' )\n2029 FORMAT( 1X, '[see VOLINORG msg]'\n & 1X, 'at (C,R,L): ', 3I4, 1X, 'GAS Conc:', 3( 1PE11.3 ) )\n\n RETURN\n END SUBROUTINE VOLINORG\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE HCOND3( AM0, AM1, AM2, DV, ALPHA, CBAR, F )\n\nC calculates the size-dependent term in the condensational-growth rate\nC expression for the 2nd and 3rd moments of a lognormal aerosol mode\nC using the harmonic mean method. This code follows Section A2 of\nC Binkowski & Shankar (1995).\n \nC Key Subroutines/Functions called: none\n \nC Revision History:\nC coded November 7, 2003 by Dr. Francis S. Binkowski\nC Revised November 20, 2003 by F. Binkowski to have am1 and\nC am2 as inputs\n \nC Reference:\nC 1. Binkowski, F.S. and U. Shankar, The regional particulate matter\nC model 1. Model description and preliminary results, J. Geophys.\nC Res., Vol 100, No D12, 26101-26209, 1995.\n\n IMPLICIT NONE\n\nC *** Includes:\n\n INCLUDE SUBST_CONST ! physical and mathematical constants\n\nC *** Arguments:\n\n REAL( 8 ), INTENT( IN ) :: AM0 ! zeroth moment of mode [ #/m**3 ]\n REAL( 8 ), INTENT( IN ) :: AM1 ! first moment of mode [ m/m**3 ]\n REAL( 8 ), INTENT( IN ) :: AM2 ! second moment of mode [ m**2/m**3 ]\n REAL, INTENT( IN ) :: Dv ! molecular diffusivity of the\n ! condensing vapor [ m**2/s ]\n REAL, INTENT( IN ) :: ALPHA ! accommodation coefficient\n REAL, INTENT( IN ) :: CBAR ! kinetic velocity of condensing vapor [ m/s ]\n\n REAL( 8 ), INTENT( OUT ) :: F( 2 ) ! size-dependent term in condensational-growth\n ! rate: F(1) = 2nd moment [ m**2/m**3 s ]\n ! F(2) = 3rd moment [ m**3/m**3 s ]\n\nC *** Local Variables:\n\n REAL( 8 ) :: GNC2 ! integrals used to calculate F(1) [m^2 / m^3 s]\n REAL( 8 ) :: GFM2 !\n\n REAL( 8 ) :: GNC3 ! integrals used to calculate F(2) [m^3 / m^3 s]\n REAL( 8 ) :: GFM3 !\n\n REAL( 8 ), PARAMETER :: TWOPI = 2.0D0 * PI\n REAL( 8 ), PARAMETER :: PI4 = 0.25D0 * PI\n\nC-----------------------------------------------------------------------\n\nC *** Implement equation A15 of Binkowski & Shankar (1995) for the\nC 2nd and 3rd moments of a lognormal mode of arbitrary size.\n\n GNC2 = TWOPI * DV * AM0 ! 2nd moment, near-continuum\n GNC3 = TWOPI * DV * AM1 ! 3rd moment, near-continuum\n GFM2 = PI4 * ALPHA * CBAR * AM1 ! 2nd moment, free-molecular\n GFM3 = PI4 * ALPHA * CBAR * AM2 ! 3rd moment, free-molecular\n\nC *** Implement equation A13 of Binkowski & Shankar (1995) for a\nC lognormal mode of arbitrary size. These are the size-dependent\nC terms in the condensational-growth rate expression, given in\nC equation 7a of B&S (1995).\n\n F( 1 ) = GNC2 * GFM2 / ( GNC2 + GFM2 ) ! 2nd moment\n F( 2 ) = GNC3 * GFM3 / ( GNC3 + GFM3 ) ! 3rd moment\n\n RETURN\n END SUBROUTINE HCOND3\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE NEWPART3 ( RH, T, XH2SO4, SO4RATE, DNDT, DMDT_so4, DM2DT )\n\n USE AERO_DATA\n USE AEROMET_DATA ! Includes CONST.EXT\n USE PRECURSOR_DATA, ONLY: PRECURSOR_MW, SULF_IDX\n USE UTILIO_DEFN\n \n IMPLICIT NONE\n\nC REVISION HISTORY:\nC Replacement of Kulmala et al., 1998 nucleation scheme with scheme \nC of Vehkamaki et al. (2002) by G. Sarwar and K. Fahey - 03/2014\n\nC.. References:\nC Vehkamaki, H., Kulmala, M, Napari, I., Lehtinen, K.E.J., Timmreck, C.,\nC Noppel, M., and A. Laaksonen. (2002) An improved parameterization for \nC sulfuric acid-water nucleation rates for tropospheric and stratospheric\nC conditions. JGR, v107(D22). \n \nC..Inputs: \n REAL, INTENT(IN ) :: RH ! fractional relative humidity \n REAL, INTENT(IN) :: T ! Ambient temperature [ K ]\n REAL, INTENT(IN) :: XH2SO4 ! sulfuric acid concentration [ ug/m**3 ]\n REAL, INTENT(IN) :: SO4RATE ! gas-phase H2SO4 production rate [ ug/m**3 s ]\n\nC.. Outputs:\n REAL( 8 ), INTENT( OUT ) :: DNDT ! particle number production rate [ m^-3/s ]\n REAL( 8 ), INTENT( OUT ) :: DMDT_so4 ! SO4 mass production rate [ ug/m**3 s ]\n REAL( 8 ), INTENT( OUT ) :: DM2DT ! second moment production rate [ m**2/m**3 s ]\n\nC.. Parameters\n CHARACTER( 16 ), PARAMETER :: PNAME = 'NEWPART' \n\nC.. Particle size parameters:\n REAL, PARAMETER :: d20 = 2.0E-07 ! diameter of a new particle [cm]\n REAL, PARAMETER :: d20sq = d20 * d20 ! new-particle diameter squared [cm**2]\n REAL, PARAMETER :: m2_20 = 1.0E-4 * d20sq ! new-particle diameter squared [m**2]\n REAL, PARAMETER :: v20 = PI * d20 * d20sq /6.0 ! volume of a new particle [cm**3]\n \n REAL( 8 ) :: sulfmass ! mass of a new particle [ug]\n REAL( 8 ) :: sulfmass1 ! inverse of sulfmass [ug**-1]\n\nC.. Set constants and local variables for Vehkamaki et al. (2002) scheme\n REAL, PARAMETER :: C1 = 0.740997\n REAL, PARAMETER :: C2 = -0.00266379\n REAL, PARAMETER :: C3 = -0.00349998\n REAL, PARAMETER :: C4 = 0.0000504022\n REAL, PARAMETER :: C5 = 0.00201048\n REAL, PARAMETER :: C6 = -0.000183289\n REAL, PARAMETER :: C7 = 0.00157407\n REAL, PARAMETER :: C8 = -0.0000179059\n REAL, PARAMETER :: C9 = 0.000184403\n REAL, PARAMETER :: C10 = -1.50345E-6\n\n REAL :: XSTAR ! mole fraction of sulfuric acid in the critical cluster\n REAL :: NA ! total gas phase concentration of H2SO4 [ #/cm**3 ]\n REAL :: TEMP ! ambient temperature\n REAL :: LNRH, LNNA ! LN(RH), LN(Na)\n REAL :: LNRH2, LNNA2 ! LN(RH)**2, LN(Na)**2\n REAL :: LNRH3, LNNA3 ! LN(RH)**3, LN(Na)**3 \n REAL :: TEMP2, TEMP3 ! TEMP**2, TEMP**3\n REAL( 8 ) :: XFAC ! exponential term for the nucleation rate \n REAL( 8 ) :: Jnuc ! nucleation rate [ #/cm**3 s ]\n \n REAL :: A, B, C, D, E, F, G, H, I, J\n\n REAL :: MW_H2SO4 ! MW of H2SO4 in [ g / mole ] \n REAL :: DENSITY_H2SO4 ! DENSITY of H2SO4 in [ kg / m**3 ]\n\n REAL, PARAMETER :: SCALEFAC = 1.0E-06 ! for [ 1 / m**3 ] -> [ 1 / cm**3 ]\n REAL, PARAMETER :: MUG2G = 1.0E-6 ! [ ug ] -> [ g ] \n\nC.. Initialize variables\n DNDT = 0.0D0\n DMDT_so4 = 0.0D0\n DM2DT = 0.0D0\n\nC.. Calculate molecular weight of H2SO4 [ g / mole ] \n MW_H2SO4 = REAL( PRECURSOR_MW( SULF_IDX ),4 )\n \nC.. Calculate density of sulfuric acid [ kg / m**3 ] \n DENSITY_H2SO4 = AEROSPC( ASO4_IDX )%DENSITY \n\nC.. Calculate mass of a new particle [ug]\n sulfmass = 1.0D+3 * DENSITY_H2SO4 * v20\n\nC.. Calculate inverse of sulfmass [ug**-1] \n sulfmass1 = 1.0D0 / sulfmass \n \nC.. Calculate sulfuric acid concentration in molecules/cm3 \n NA = XH2SO4 * MUG2G * AVO * SCALEFAC / MW_H2SO4 \n\nC.. The parameterization is valid at sulfuric acid concentrations of 1.0E4 - 1.0E11 molecules cm-3\n NA = MAX (NA, 1.0E4)\n NA = MIN (1.0E11, NA)\n\nC.. The parameterization is valid at temperatures of 190.00-305.15 K\n TEMP = MAX (T, 190.00)\n TEMP = MIN (305.15, TEMP)\n\nC.. The parameterization is valid at RH of 0.0001-1.0\nC aero_driver.f limits RH to 0.005-0.99; thus no additional constraint is needed\n\nC.. Define convenient constants\n TEMP2 = TEMP * TEMP\n TEMP3 = TEMP * TEMP2\n \n LNRH = LOG( RH ) \n LNNA = LOG( NA )\n LNRH2 = LNRH * LNRH\n LNRH3 = LNRH * LNRH2\n LNNA2 = LNNA * LNNA\n LNNA3 = LNNA * LNNA2\n\nC.. Calculate mole fraction of sulfuric acid in the critical cluster\n XSTAR = C1 + C2 * TEMP + C3 * LNNA + C4 * TEMP * LNNA + \n & C5 * LNRH + C6 * TEMP * LNRH +\n & C7 * LNRH2 + C8 * TEMP * LNRH2 + C9 * LNRH3 + \n & C10 * TEMP * LNRH3\n\nC.. Calculate coefficients needed for the nucleation rate [Eq-12 - Vehkamaki et al., 2002] \n A = 0.14309 + 2.21956 * TEMP - 0.0273911 * TEMP2 + \n & 0.0000722811 * TEMP3 + 5.91822 / XSTAR\n \n B = 0.117489 + 0.462532 * TEMP - 0.0118059 * TEMP2 + \n & 0.0000404196 * TEMP3 + 15.7963 / XSTAR\n \n C = -0.215554 - 0.0810269 * TEMP + 0.00143581 * TEMP2 - \n & 4.7758E-6 * TEMP3 - 2.91297 / XSTAR\n \n D = -3.58856 + 0.049508 * TEMP - 0.00021382 * TEMP2 + \n & 3.10801E-7 * TEMP3 - 0.0293333 / XSTAR\n \n E = 1.14598 - 0.600796 * TEMP + 0.00864245 * TEMP2 - \n & 0.0000228947 * TEMP3 - 8.44985 / XSTAR\n \n F = 2.15855 + 0.0808121 * TEMP - 0.000407382 * TEMP2 - \n & 4.01957E-7 * TEMP3 + 0.721326 / XSTAR\n\n G = 1.6241 - 0.0160106 * TEMP + 0.0000377124 * TEMP2 + \n & 3.21794E-8 * TEMP3 - 0.0113255 / XSTAR\n \n H = 9.71682 - 0.115048 * TEMP + 0.000157098 * TEMP2 + \n & 4.00914E-7 * TEMP3 + 0.71186 / XSTAR\n \n I = -1.05611 + 0.00903378 * TEMP - 0.0000198417 * TEMP2 +\n & 2.46048E-8 * TEMP3 - 0.0579087 / XSTAR\n\n J = -0.148712 + 0.00283508 * TEMP - 9.24619E-6 * TEMP2 + \n & 5.00427E-9 * TEMP3 - 0.0127081 / XSTAR\n\nC.. Calculate the exponential term for the nucleation rate [Eq-12 - Vehkamaki et al., 2002] \n XFAC = A + B * LNRH + C * LNRH2 + D * LNRH3 + \n & E * LNNA + F * LNRH * LNNA + G * LNRH2 * LNNA + \n & H * LNNA2 + I * LNRH * LNNA2 + J * LNNA3\n\nC.. Calculate particle nucleation rate: unit [ 1 / cm**3 s] [Eq-12 - Vehkamaki et al., 2002] \n Jnuc = EXP(XFAC) \n \nC.. The parameterization is valid for nucleation rates of 1.0E-7-1.0E10 [ 1 / cm**3 s]\n Jnuc = MAX (Jnuc, 1.0D-7)\n Jnuc = MIN (1.0D10, Jnuc)\n\nC.. Convert the unit of particle nucleation rate into [ 1 / m**3 s] by multiplying it by 1.0E6 \n DNDT = Jnuc * 1.0E06 ! (1/(m**3 s))\n\nC.. Calculate mass production rate [ ug / (m**3 s) ] analogous to\nC Equation 6a of Binkowski & Roselle (2003). Set the upper limit\nC of the mass production rate as the gas-phase production rate of\nC H2SO4, and adjust the number production rate accordingly.\n DMDT_so4 = sulfmass * DNDT \n\n IF ( DMDT_so4 .GT. SO4RATE ) THEN\n DMDT_so4 = SO4RATE\n DNDT = DMDT_SO4 * sulfmass1\n END IF\n\nC.. Calculate the production rate of 2nd moment [ m**2 / (m**3 s) ]\nC This is similar to Equation 6c of Binkowski & Roselle (2003),\nC except the factor of PI is removed and the assumed particle\nC diameter is different.\n DM2DT = DNDT * m2_20\n\n RETURN \n END SUBROUTINE NEWPART3 \n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE Compute_Flux ( nvolinorg, GNH3R8, GNO3R8, GCLR8, KNH4,\n & KNO3, KCL, Ceq, CondRate, Hplus, rate, J )\n \nC Description\nC Determines the evaporative/condensational flux of volatile\nC inorganic species to aerosol modes. In cases where the resulting H+\nC flux is greater than a specified limit, the Pilinis et al. (2000)\nC AS&T approach is used to modify species vapor pressures such that\nC cond./evap. produces an H+ flux equal to the limit (which is\nC proportional to the current mode concentration of H+).\nC Routine called by VOLINORG.\n \nC Arguments\nC Inputs\nC nvolinorg: Number of Volatile inorganic species\nC GNH3R8 : NH3(g) concentration (ug/m3)\nC GNO3R8 : HNO3(g) concentration (ug/m3)\nC GCLR8 : HCl(g) concentration (ug/m3)\nC KNH4 : Index to NH4 species\nC KNO3 : Index to NO3 species\nC KCL : Index to NO3 species \nC Ceq : vapor concentration (mol/m3)\nC CondRate : effective condensation rate (I) of 3rd moment to mode\nC : [treat units as (1/s)]\nC Hplus : aerosol hydrogen ion concentration (mol/m3) for mode\nC rate : H2SO4(g) condensation rate (ug/m3/s) for mode\n \nC Output\nC Ceq : modified vapor concentration (mol/m3)\nC J : molar cond./evap. flux of volatile inorganics (mol/m3-s)\n \nC-----------------------------------------------------------------------\n\n USE AERO_DATA\n USE PRECURSOR_DATA\n USE AEROMET_DATA\n\n IMPLICIT NONE\n\nC Arguments:\n INTEGER nvolinorg\n REAL( 8 ) :: GNH3R8, GNO3R8, GCLR8 ! gas concentrations [ug/m3]\n INTEGER KNH4, KNO3, KCL ! Indices to species\n REAL( 8 ) :: Ceq( nvolinorg ) ! vapor concentrations [mol/m3]\n REAL( 8 ) :: CondRate ! effective condensation rate (I) for 3rd moment\n REAL( 8 ) :: Hplus ! hydrogen ion concentration for mode [mol/m3]\n REAL( 8 ) :: rate\n REAL( 8 ) :: J( nvolinorg ) ! molar cond./evap. flux [mol/m3-s]\n\nC Local Variables:\n REAL( 8 ), PARAMETER :: Afact = 1.0D-01 ! factor for H+ limiter\n REAL( 8 ), PARAMETER :: small = 1.0D-25\n REAL( 8 ) :: Cinf( nvolinorg ) ! gas concentration in mol/m3\n REAL( 8 ) :: Qk ! factor for modifying vapor press. based on H+ limit\n REAL( 8 ) :: Hflux ! flux of H+ to mode from cond/evap\n REAL( 8 ) :: Hlim ! maximum allowable H+ flux to mode\n REAL( 8 ) :: aa, bb, cc ! terms in quadratic equation\n REAL( 8 ) :: JH2SO4 ! molar flux of H2SO4(g) [mol/m3/s]\n REAL( 8 ) :: CH2SO4 ! effective H2SO4(g) concentration [mol/m3]\n INTEGER isp ! inorganic species index\n\nC-----------------------------------------------------------------------\n\nC Convert gas concentration from ug/m3 to mol/m3\n Cinf( KNH4 ) = GNH3R8 * 1.0D-6 / PRECURSOR_MW( NH3_IDX )\n Cinf( KNO3 ) = GNO3R8 * 1.0D-6 / PRECURSOR_MW( HNO3_IDX )\n Cinf( KCL ) = GCLR8 * 1.0D-6 / PRECURSOR_MW( HCL_IDX )\n\nC Calculate cond/evap fluxes (no H+ limiting)\n DO isp = 1, nvolinorg\n J( isp ) = CondRate * ( Cinf( isp ) - Ceq( isp ) )\n END DO\n\nC Convert rate to mol/m3/s and get effective Cinf for H2SO4(g)\n JH2SO4 = rate * 1.0D-6 / PRECURSOR_MW( SULPRD_IDX )\n CH2SO4 = JH2SO4 / CondRate\n\nC Limit H+ flux (Pilinis et al., 2000, AS&T). Note: J is flux\nC to entire mode, not one particle\n Hlim = Afact * Hplus\n Hflux = 2.0D0 * JH2SO4 + J( KNO3 ) + J( KCL ) - J( KNH4 )\n\nC If Hflux is too large, limit the flux by modifying species\nC vapor pressures with Qk factor (Pilinis et al., 2000, AS&T).\n IF ( ABS( Hflux ) .GT. Hlim ) THEN\n Hlim = SIGN( Hlim, Hflux )\n\nC Solve quadratic for Qk: aa*Qk^2 + bb*Qk + cc = 0\n aa = Ceq( KCL ) + Ceq( KNO3 )\n\n bb = Hlim / CondRate\n & + Cinf( KNH4) - Cinf( KNO3 ) - Cinf( KCL ) - 2.0D0 * CH2SO4\n cc = -Ceq( KNH4 )\n\n Qk = 0.0D0 ! initialize Qk\n\n IF ( aa .LT. small .AND. 0.0D0 .LT. bb ) THEN ! bb*Qk + cc = 0\n Qk = -cc / bb\n ELSE IF (aa .LT. small .AND. bb .LE. 0.0D0 ) THEN\n Qk = 0.0D0\n ELSE IF (-cc .LT. small .AND. bb .LT. 0.0D0 ) THEN ! aa*Qk^2 + bb*Qk = 0\n Qk = -bb / aa\n ELSE IF (-cc .LT. small .AND. 0.0D0 .LE. bb ) THEN\n Qk = 0.0D0\n ELSE\n Qk = ( -bb + SQRT ( bb**2 - 4.0D0 * aa * cc ) ) / ( 2.0D0 * aa )\n IF ( bb ** 2 - 4.0D0 * aa * cc .LT. 0.0D0 ) THEN\n PRINT *, 'Compute_Flux, sqrt<0'\n Qk = 0.0D0\n END IF\n END IF\n\nC Modify vapor pressures and get new fluxes\n IF ( Qk .GT. small ) THEN\n Ceq( KNH4 ) = Ceq( KNH4 ) / Qk\n Ceq( KNO3 ) = Ceq( KNO3 ) * Qk\n Ceq( KCl ) = Ceq( KCl ) * Qk\n DO isp = 1, nvolinorg\n J( isp ) = CondRate * ( Cinf( isp ) - Ceq( isp ) )\n END DO\n END IF\n\n END IF ! |Hflux| > Hlim\n\n END SUBROUTINE Compute_Flux\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE CALC_H2O ( WI, RH, T, H2O_NEW )\n\nC Description\nC Calculate the water content of aerosol at the new time step. Water\nC calculations use the ZSR mixing rule with salts determined by the\nC ISORROPIA approach.\nC Routine called by VOLINORG.\n \nC Arguments\nC Input\nC WI : Concentration of components [mol/m^3] at new step\nC RH : Relative humidity [0-1]\nC T : Temperature [K]\n \nC Output\nC H2O_NEW : Water [mol/m^3] content at new time step\n \nC-----------------------------------------------------------------------\n\n IMPLICIT NONE\n\nC Parameters:\n INTEGER, PARAMETER :: NCMP = 8, NPAIR = 23\n REAL( 8 ), PARAMETER :: SMALL = 1.0D-20\n REAL( 8 ), PARAMETER :: Mw = 0.018D0 ! molar mass H2O (kg/mol)\n\nC Arguments:\n REAL( 8 ), INTENT( IN ) :: WI( NCMP )\n REAL( 8 ), INTENT( IN ) :: RH, T\n REAL( 8 ), INTENT( OUT ) :: H2O_NEW\n\nC Local Variables:\n CHARACTER( 3 ) :: SC ! subcase for composition\n REAL( 8 ) :: FSO4, FNH4, FNA, FNO3, FCL ! \"free\" ion amounts\n REAL( 8 ) :: FCA, FK, FMG \n REAL( 8 ) :: CASO4 ! amount of calcium sulfate, does not participate in ZSR calc\n REAL( 8 ) :: WATER ! kg of water for new time step \n REAL( 8 ) :: X, Y\n REAL( 8 ) :: CONC( NCMP ) ! concentration (mol/m^3)\n REAL( 8 ) :: CONCR( NPAIR ) ! concentration (mol/m^3) ion \"pairs\" \n REAL( 8 ) :: M0I( NPAIR ) ! single-solute molalities\n INTEGER :: J\n\nC-----------------------------------------------------------------------\n\nC Return if small concentration\n IF ( WI( 1 ) + WI( 2 ) + WI( 3 ) + WI( 4 )\n & + WI( 5 ) + WI( 6 ) + WI( 7 ) + WI( 8 ) .LE. SMALL) THEN\n H2O_NEW = SMALL\n RETURN\n END IF\n\nC Set component array (mol/m^3) for determining salts\n CONC = WI ! array assignment\n\nC Get the sub-case to use in determining salts\n CALL GETSC ( CONC, RH, T, SC )\n\n#ifdef verbose_aero\n! write( logdev,* ) 'CALC_H2O -SC: ', sc\n#endif\n\nC Initialize ion \"pairs\" (i.e., salts) used in ZSR\n CONCR( : ) = 0.0D0\n\nC Depending on case, determine moles of salts in solution (i.e., CONCR)\nC for ZSR calculation below\n\n IF ( SC .EQ. 'S2' ) THEN ! sulfate poor (NH4-SO4 system), old K2\n CONCR( 4 )= MIN ( CONC( 2 ), 0.5D0 * CONC( 3 ) ) ! (NH4)2SO4\n\n ELSE IF ( SC .EQ. 'B4' ) THEN ! sulfate rich (no acid), old L4, O4\n X = 2.0D0 * CONC( 2 ) - CONC( 3 ) ! 2SO4 - NH4\n Y = CONC( 3 ) - CONC( 2 ) ! NH4 - SO4\n IF ( X .LE. Y ) THEN\n CONCR( 13 ) = X ! (NH4)3H(SO4)2 is MIN (X,Y)\n CONCR( 4 ) = Y - X ! (NH4)2SO4\n ELSE\n CONCR( 13 ) = Y ! (NH4)3H(SO4)2 is MIN (X,Y)\n CONCR( 9 ) = X - Y ! NH4HSO4\n END IF\n\n ELSE IF ( SC .EQ. 'C2' ) THEN ! sulfate rich (free acid), old M2, P2\n CONCR( 9 ) = CONC( 3 ) ! NH4HSO4\n CONCR( 7 ) = MAX( CONC( 2 ) - CONC( 3 ), 0.0D0 ) ! H2SO4\n\n ELSE IF ( SC .EQ. 'N3' ) THEN ! sulfate poor (NH4-SO4-NO3 system)\n CONCR( 4 ) = MIN ( CONC( 2 ), 0.5D0 * CONC( 3 ) ) ! (NH4)2SO4\n FNH4 = MAX ( CONC( 3 ) - 2.0D0 * CONCR( 4 ), 0.0D0 ) ! available NH4\n CONCR( 5 ) = MAX ( MIN ( FNH4, CONC( 4 ) ), 0.0D0 ) ! NH4NO3=MIN(NH4,NO3)\n\n ELSE IF ( SC .EQ. 'Q5' ) THEN ! sulfate poor, sodium poor (NH4-SO4-NO3-Cl-Na)\n CONCR( 2 ) = 0.5D0 * CONC( 1 ) ! Na2SO4\n FSO4 = MAX ( CONC( 2 ) - CONCR( 2 ), 0.0D0 ) ! available SO4\n CONCR( 4 ) = MAX ( MIN ( FSO4, 0.5D0 * CONC( 3 ) ), SMALL ) ! NH42S4=MIN(NH4,S4)\n FNH4 = MAX ( CONC( 3 ) - 2.0D0 * CONCR( 4 ), 0.0D0 ) ! available NH4\n CONCR( 5 ) = MIN ( FNH4, CONC( 4 ) ) ! NH4NO3=MIN(NH4,NO3)\n FNH4 = MAX ( FNH4 - CONCR( 5 ), 0.0D0 ) ! avaialable NH4\n CONCR( 6 ) = MIN ( FNH4, CONC( 5 ) ) ! NH4Cl=MIN(NH4,Cl)\n\n ELSE IF ( SC .EQ. 'R6' ) THEN ! sulfate poor, sodium rich (NH4-SO4-NO3-Cl-Na)\n CONCR( 2 ) = CONC( 2 ) ! Na2SO4\n FNA = MAX ( CONC( 1 ) - 2.0D0 * CONCR( 2 ), 0.0D0 )\n\n CONCR( 3 ) = MIN ( FNA, CONC( 4 ) ) ! NaNO3\n FNO3 = MAX ( CONC( 4 ) - CONCR( 3 ), 0.0D0 )\n FNA = MAX ( FNA - CONCR( 3 ), 0.0D0 )\n\n CONCR( 1 ) = MIN ( FNA, CONC( 5 ) ) ! NaCl\n FCL = MAX ( CONC( 5 ) - CONCR( 1 ), 0.0D0 )\n FNA = MAX ( FNA - CONCR( 1 ), 0.0D0 )\n\n CONCR( 5 ) = MIN ( FNO3, CONC( 3 ) ) ! NH4NO3\n FNO3 = MAX ( FNO3 - CONCR( 5 ), 0.0D0 )\n FNH4 = MAX ( CONC( 3 ) - CONCR( 5 ), 0.0D0 )\n\n CONCR( 6 ) = MIN (FCL, FNH4 ) ! NH4Cl\n\n ELSE IF ( SC .EQ. 'I6' ) THEN ! sulfate rich (no acid) (NH4-SO4-NO3-Cl-Na)\n CONCR( 2 ) = 0.5D0 * CONC( 1 ) ! Na2SO4\n FSO4 = MAX ( CONC( 2 ) - CONCR( 2 ), 0.0D0 )\n CONCR( 13 ) = MIN ( CONC( 3 ) / 3.0D0, FSO4 / 2.0D0 ) ! (NH4)3H(SO4)2\n FSO4 = MAX ( FSO4 - 2.0D0 * CONCR( 13 ), 0.0D0 )\n FNH4 = MAX ( CONC( 3 ) - 3.0D0 * CONCR( 13 ), 0.0D0 )\n\n IF ( FSO4 .LE. SMALL ) THEN ! reduce (NH4)3H(SO4)2, add (NH4)2SO4\n CONCR( 13 ) = MAX ( CONCR( 13 ) - FNH4, 0.0D0 ) ! (NH4)3H(SO4)2\n CONCR( 4 ) = 2.0D0 * FNH4 ! (NH4)2SO4\n ELSE IF ( FNH4 .LE. SMALL ) THEN ! reduce (NH4)3H(SO4)2, add NH4HSO4\n CONCR( 9 ) = 3.0D0 * MIN ( FSO4, CONCR( 13 ) ) ! NH4HSO4\n CONCR( 13 ) = MAX ( CONCR( 13 ) - FSO4, 0.0D0 )\n IF ( CONCR( 2 ) .GT. SMALL ) THEN ! reduce Na2SO4, add NaHSO4\n FSO4 = MAX ( FSO4 - CONCR( 9 ) / 3.0D0, 0.0D0 )\n CONCR( 12 ) = 2.0D0 * FSO4 ! NaHSO4\n CONCR( 2 ) = MAX ( CONCR( 2 ) - FSO4, 0.0D0 ) ! Na2SO4\n END IF\n END IF\n\n ELSE IF ( SC .EQ. 'J3' ) THEN ! sulfate rich (free acid) (NH4-SO4-NO3-Cl-Na)\n CONCR( 9 ) = CONC( 3 ) ! NH4HSO4\n CONCR( 12 ) = CONC( 1 ) ! NAHSO4\n CONCR( 7 ) = MAX ( CONC( 2 ) - CONC( 3 ) - CONC( 1 ), 0.0D0 ) ! H2SO4\n\n ! Crustal cases\n ELSE IF ( SC .EQ. 'V7' ) THEN ! sulfate poor, sodium+crustal poor\n CASO4 = MIN ( CONC( 6 ), CONC( 2 ) ) ! CCASO4\n FSO4 = MAX ( CONC( 2 ) - CASO4, 0.0D0 )\n FCA = MAX ( CONC( 6 ) - CASO4, 0.0D0 )\n\n CONCR( 17 ) = MIN ( 0.5D0 * CONC( 7 ), FSO4 ) ! CK2SO4\n FK = MAX ( CONC( 7 ) - 2.D0 * CONCR( 17 ), 0.0D0 )\n FSO4 = MAX ( FSO4 - CONCR( 17 ), 0.0D0 )\n\n CONCR( 2 ) = MIN ( 0.5D0 * CONC( 1 ), FSO4 ) ! CNA2SO4\n FNA = MAX ( CONC( 1 ) - 2.0D0 * CONCR( 2 ), 0.0D0 )\n FSO4 = MAX ( FSO4 - CONCR( 2 ), 0.0D0 )\n\n CONCR( 21 ) = MIN ( CONC( 8 ), FSO4 ) ! CMGSO4\n FMG = MAX ( CONC( 8 ) - CONCR( 21 ), 0.0D0 )\n FSO4 = MAX ( FSO4 - CONCR( 21 ), 0.0D0 )\n\n CONCR( 4 ) = MAX ( MIN ( FSO4 , 0.5D0 * CONC( 3 ) ) , SMALL ) ! CNH42S4\n FNH4 = MAX ( CONC( 3 ) - 2.0D0 * CONCR( 4 ), 0.0D0 )\n\n CONCR( 5 ) = MIN ( FNH4, CONC( 4 ) ) ! CNH4NO3\n FNH4 = MAX ( FNH4 - CONCR( 5 ), 0.0D0 )\n\n CONCR( 6 ) = MIN ( FNH4, CONC( 5 ) ) ! CNH4CL\n\n ELSE IF ( SC .EQ. 'U8' ) THEN ! sulfate poor, crustal+sodium rich, crustal poor\n CASO4 = MIN ( CONC( 6 ), CONC( 2 ) ) ! CCASO4\n FSO4 = MAX ( CONC( 2 ) - CASO4, 0.0D0 )\n FCA = MAX ( CONC( 6 ) - CASO4, 0.0D0 )\n\n CONCR( 17 ) = MIN ( 0.5D0 * CONC( 7 ), FSO4 ) ! CK2SO4\n FK = MAX ( CONC( 7 ) - 2.0D0 * CONCR( 17 ), 0.0D0 )\n FSO4 = MAX ( FSO4 - CONCR( 17 ), 0.0D0 )\n\n CONCR( 21 ) = MIN ( CONC( 8 ), FSO4 ) ! CMGSO4\n FMG = MAX ( CONC( 8 ) - CONCR( 21 ), 0.0D0 )\n FSO4 = MAX ( FSO4 - CONCR( 21 ), 0.0D0 )\n\n CONCR( 2 ) = MAX ( FSO4, 0.0D0 ) ! CNA2SO4\n FNA = MAX ( CONC( 1 ) - 2.0D0 * CONCR( 2 ), 0.0D0 )\n\n CONCR( 3 ) = MIN ( FNA, CONC( 4 ) ) ! NaNO3\n FNO3 = MAX ( CONC( 4 ) - CONCR( 3 ), 0.0D0 )\n FNA = MAX ( FNA - CONCR( 3 ), 0.0D0 )\n\n CONCR( 1 ) = MIN ( FNA, CONC( 5 ) ) ! NaCl\n FCL = MAX ( CONC( 5 ) - CONCR( 1 ), 0.0D0 )\n FNA = MAX ( FNA - CONCR( 1 ), 0.0D0 )\n\n CONCR( 5 ) = MIN ( FNO3, CONC( 3 ) ) ! NH4NO3\n FNO3 = MAX ( FNO3 - CONCR( 5 ), 0.0D0 )\n FNH4 = MAX ( CONC( 3 ) - CONCR( 5 ), 0.0D0 )\n\n CONCR( 6 ) = MIN ( FCL, FNH4 ) ! NH4Cl\n FCL = MAX ( FCL - CONCR( 6 ), 0.0D0 )\n FNH4 = MAX ( FNH4 - CONCR( 6 ), 0.0D0 )\n\n ELSE IF ( SC .EQ. 'W13' ) THEN ! sulfate poor, crustal+sodium rich\n CASO4 = MIN ( CONC( 2 ), CONC( 6 ) ) ! CASO4\n FCA = MAX ( CONC( 6 ) - CASO4, 0.0D0 )\n FSO4 = MAX ( CONC( 2 ) - CASO4, 0.0D0 )\n\n CONCR( 17 ) = MIN ( FSO4, 0.5D0 * CONC( 7 ) ) ! K2SO4\n FK = MAX ( CONC( 7 ) - 2.0D0 * CONCR( 17 ), 0.0D0 )\n FSO4 = MAX ( FSO4 - CONCR( 17 ), 0.0D0 )\n\n CONCR( 21 ) = FSO4 ! MGSO4\n FMG = MAX ( CONC( 8 ) - CONCR( 21 ), 0.0D0 )\n\n CONCR( 1 ) = MIN ( CONC( 1 ), CONC( 5 ) ) ! NACL\n FNA = MAX ( CONC( 1 ) - CONCR( 1 ), 0.0D0 )\n FCL = MAX ( CONC( 5 ) - CONCR( 1 ), 0.0D0 )\n\n CONCR( 16 ) = MIN ( FCA, 0.5D0 * FCL ) ! CACL2\n FCA = MAX ( FCA - CONCR( 16 ), 0.0D0 )\n FCL = MAX ( CONC( 5 ) - 2.0D0 * CONCR( 16 ), 0.0D0 )\n\n CONCR( 15 ) = MIN ( FCA, 0.5D0 * CONC( 4 ) ) ! CA(NO3)2\n FCA = MAX ( FCA - CONCR( 15 ), 0.0D0 )\n FNO3 = MAX ( CONC( 4 ) - 2.0D0 * CONCR( 15 ), 0.0D0 )\n\n CONCR( 23 ) = MIN ( FMG, 0.5D0 * FCL ) ! MGCL2\n FMG = MAX ( FMG - CONCR( 23 ), 0.0D0 )\n FCL = MAX ( FCL - 2.0D0 * CONCR( 23 ), 0.0D0 )\n\n CONCR( 22 ) = MIN ( FMG, 0.5D0 * FNO3 ) ! MG(NO3)2\n FMG = MAX ( FMG - CONCR( 22 ), 0.0D0 )\n FNO3 = MAX ( FNO3 - 2.0D0 * CONCR( 22 ), 0.0D0 )\n\n CONCR( 3 ) = MIN ( FNA, FNO3 ) ! NANO3\n FNA = MAX ( FNA - CONCR( 3 ), 0.0D0 )\n FNO3 = MAX ( FNO3 - CONCR( 3 ), 0.0D0 )\n\n CONCR( 20 ) = MIN ( FK, FCL ) ! KCL\n FK = MAX ( FK - CONCR( 20 ), 0.0D0 )\n FCL = MAX ( FCL - CONCR( 20 ), 0.0D0 )\n\n CONCR( 19 ) = MIN ( FK, FNO3 ) ! KNO3\n FK = MAX ( FK - CONCR( 19 ), 0.0D0 )\n FNO3 = MAX ( FNO3 - CONCR( 19 ), 0.0D0 )\n\n ELSE IF ( SC .EQ. 'L9' ) THEN ! sulfate rich, no free acid\n CASO4 = MIN ( CONC( 6 ), CONC( 2 ) ) ! CCASO4\n FSO4 = MAX ( CONC( 2 ) - CASO4, 0.0D0 )\n FCA = MAX ( CONC( 6 ) - CASO4, 0.0D0 )\n\n CONCR( 17 ) = MIN ( 0.5D0 * CONC( 7 ), FSO4 ) ! CK2SO4\n FK = MAX ( CONC( 7 ) - 2.0D0 * CONCR( 17 ), 0.0D0 )\n FSO4 = MAX ( FSO4 - CONCR( 17 ), 0.0D0 )\n\n CONCR( 2 ) = MIN ( 0.5D0 * CONC( 1 ), FSO4 ) ! CNA2SO4\n FNA = MAX ( CONC( 1 ) - 2.0D0 * CONCR( 2 ), 0.0D0 )\n FSO4 = MAX ( FSO4 - CONCR( 2 ), 0.0D0 )\n\n CONCR( 21 ) = MIN ( CONC( 8 ), FSO4 ) ! CMGSO4\n FMG = MAX ( CONC( 8 ) - CONCR( 21 ), 0.0D0 )\n FSO4 = MAX ( FSO4 - CONCR( 21 ), 0.0D0 )\n\n CONCR( 13 ) = MIN ( CONC( 3 ) / 3.0D0, FSO4 / 2.0D0 ) ! CLC\n FSO4 = MAX ( FSO4 - 2.0D0 * CONCR( 13 ), 0.0D0 )\n FNH4 = MAX ( CONC( 3 )- 3.0D0 * CONCR( 13 ), 0.0D0 )\n\n IF ( FSO4 .LE. SMALL ) THEN ! convert (NH4)3H(SO4)2 to (NH4)2SO4\n CONCR( 13 ) = MAX( CONCR( 13 ) - FNH4, 0.0D0 )\n CONCR( 4 ) = 2.0D0 * FNH4 ! CNH42S4 \n\n ELSE IF ( FNH4 .LE. SMALL ) THEN ! convert (NH4)3H(SO4)2 to NH4HSO4\n CONCR( 9 ) = 3.0D0 * MIN( FSO4, CONCR( 13 ) ) ! CNH4HS4\n CONCR( 13 ) = MAX( CONCR( 13 ) - FSO4, 0.0D0 ) ! CLC, (NH4)3H(SO4)2\n IF ( CONCR( 2 ) .GT. SMALL ) THEN ! convert Na2SO4 to NaHSO4\n FSO4 = MAX( FSO4 - CONCR( 9 ) / 3.0D0, 0.0D0 )\n CONCR( 12 ) = 2.0D0 * FSO4 ! CNAHSO4\n CONCR( 2 ) = MAX( CONCR( 2 ) - FSO4, 0.0D0 ) ! CNA2SO4\n END IF\n IF ( CONCR( 17 ) .GT. SMALL ) THEN ! convert K2SO4 to KHSO4\n FSO4 = MAX( FSO4 - CONCR( 9 ) / 3.0D0, 0.0D0 )\n CONCR( 18 ) = 2.0D0 * FSO4 ! CKHSO4\n CONCR( 17 ) = MAX( CONCR( 17 ) - FSO4, 0.0D0 ) ! CK2SO4\n END IF\n END IF\n \n ELSE IF ( SC .EQ. 'K4' ) THEN ! sulfate super rich, free acid\n CONCR( 9 ) = CONC( 3 ) ! NH4HSO4 = NH3\n CONCR( 12 ) = CONC( 1 ) ! NaHSO4 = Na\n CONCR( 18 ) = CONC( 7 ) ! KHSO4 = K\n CONCR( 21 ) = CONC( 8 ) ! MgSO4 = Mg\n CONCR( 7 ) = MAX( CONC( 2 ) - CONC( 3 ) - CONC( 1 )\n & - CONC( 6 ) - CONC( 7 ) - CONC( 8 ), 0.0D0 ) ! H2SO4 = SO4 - NH4 - Na - Ca - K - Mg\n\n ELSE\n PRINT*, 'aero_subs.f: case not supported ',\n & '(metastable reverse only)'\n END IF\n\nC Get single-solute molalities for ZSR calculation\n CALL GETM0I ( RH, M0I )\n\nC Calculate H2O with ZSR and determine delta water\n WATER = 0.0D0\n DO J = 1, NPAIR\n WATER = WATER + CONCR( J ) / M0I( J )\n END DO\n\n WATER = MAX ( WATER, SMALL )\n H2O_NEW = WATER / Mw\n\n END SUBROUTINE CALC_H2O \n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE GETM0I ( RHIN, M0I )\n\n!!!!!!!!!!!!!!! We want to get rid of this dependency !!!!!!!!!!!!!!!!\n\nC Description\nC Determines single-solute molalities for the 13 possible salts at\nC the ambient RH. These molalities are used in the ZSR calculation\nC in CALC_H2O. Note that the molalities were determined at the beginning\nC of the time step, and so they are available in the IONS common block\nC of isrpia.inc.\nC Routine called by CALC_H2O.\n\nC Revision History\nC ??? ???? Prakash Bhave(?), Jim Kelly(?): initial revision\nC Apr 2011 Havala Pye: Removed use of IONS common block since it requires\nC ISORROPIA to be called to setup the initial array values.\nC Now uses single-solute molalities from ZSR common block\nC in isrpia.inc that is defined in BLKISO in isocom.f\nC BE VERY CAREFUL ABOUT IMPLICIT VARIABLES HERE!\n \nC Arguments\nC Output\nC M0I : Single-solute molalities (mol/kg-H2O) for 13 salts\n \nC-----------------------------------------------------------------------\n\n! implicit none\n\n INCLUDE 'isrpia.inc'\n\nC Arguments\n REAL( 8 ), INTENT( IN ) :: RHIN\n REAL( 8 ), INTENT( OUT ) :: M0I( NPAIR )\n\n INTEGER IZ\n\nC Location in pure molality array (function of RH)\n IZ = MIN( INT( RHIN * REAL( NZSR, 8 ) + 0.5D0 ), NZSR )\n IZ = MAX( IZ, 1 )\n\nC Default value\n M0I = 1.0D+5 ! array assignment\n\nC Actual values (10,11 not provided)\n M0I( 01 ) = AWSC( IZ ) ! NACl\n M0I( 02 ) = AWSS( IZ ) ! (NA)2SO4\n M0I( 03 ) = AWSN( IZ ) ! NANO3\n M0I( 04 ) = AWAS( IZ ) ! (NH4)2SO4\n M0I( 05 ) = AWAN( IZ ) ! NH4NO3\n M0I( 06 ) = AWAC( IZ ) ! NH4CL\n M0I( 07 ) = AWSA( IZ ) ! 2H-SO4\n M0I( 08 ) = AWSA( IZ ) ! H-HSO4\n M0I( 09 ) = AWAB( IZ ) ! NH4HSO4\n\n\n M0I( 12 ) = AWSB( IZ ) ! NAHSO4\n M0I( 13 ) = AWLC( IZ ) ! (NH4)3H(SO4)2\n\n M0I( 15 ) = AWCN( IZ ) ! CA(NO3)2\n M0I( 16 ) = AWCC( IZ ) ! CACl2\n M0I( 17 ) = AWPS( IZ ) ! K2SO4\n M0I( 18 ) = AWPB( IZ ) ! KHSO4\n M0I( 19 ) = AWPN( IZ ) ! KNO3\n M0I( 20 ) = AWPC( IZ ) ! KCl\n M0I( 21 ) = AWMS( IZ ) ! MGSO4\n M0I( 22 ) = AWMN( IZ ) ! MG(NO3)2\n M0I( 23 ) = AWMC( IZ ) ! MGCL2\n \n END SUBROUTINE GETM0I \n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE GETSC ( CONC, RH, T, SC )\n \nC Description\nC Determines the sub-case to use for water uptake calculations.\nC Follows the procedure of ISORROPIA.\nC Routine called by CALC_H2O.\n \nC ArgumentS\nC Inputs\nC CONC : Concentration [mol/m^3] of aerosol components. This routine\nC sets minimum CONC to 1.0D-20\nC RH : Relative humidity\nC T : Temperature (K)\n \nC Output\nC SC : Sub-case for aerosol composition\n \nC-----------------------------------------------------------------------\n\n IMPLICIT NONE\n\n INTEGER, PARAMETER :: NCMP = 8 ! was NCMP = 5 ! number of aerosol components\n REAL( 8 ), PARAMETER :: SMALL = 1.0D-20\n\nC Arguments:\n! REAL( 8 ), INTENT( IN ) :: CONC( NCMP )\n REAL( 8 ), INTENT( INOUT ) :: CONC( NCMP )\n REAL( 8 ), INTENT( IN ) :: RH, T\n CHARACTER( 3 ), INTENT( OUT ) :: SC\n \nC Local Variables:\n REAL( 8 ) :: T0, TCF ! DRH(T) factor\n REAL( 8 ) :: S4RAT, S4RATW, NaRAT, SRI ! sulfate & sodium ratios\n REAL( 8 ) :: CRAT ! crustals ratio\n REAL( 8 ) :: FSO4 ! \"free\" sulfate\n REAL( 8 ) :: DNACL, DNH4CL, DNANO3, DNH4NO3, DNH42S4 ! DRH values\n\n REAL( 8 ) :: GETASR ! ISORROPIA function for sulfate ratio\n\n LOGICAL :: SCP1R, SCP2R, SCP3R, SCP4R ! concentration regime\n\nC-----------------------------------------------------------------------\n\n SCP1R = .FALSE.\n SCP2R = .FALSE.\n SCP3R = .FALSE.\n SCP4R = .FALSE.\n\nC See if any components are negligible (see isocom.for)\n IF ( CONC( 1 ) + CONC( 4 ) + CONC( 5 ) + \n & CONC( 6 ) + CONC( 7 ) + CONC( 8 ) .LE. SMALL ) THEN ! Ca,K,Mg,Na,Cl,NO3=0\n SCP1R = .TRUE. \n ELSE IF ( CONC( 1 ) + CONC( 5 ) +\n & CONC( 6 ) + CONC( 7 ) + CONC( 8 ) .LE. SMALL ) THEN ! Ca,K,Mg,Na,Cl=0\n SCP2R = .TRUE. \n ELSE IF ( CONC( 6 ) + CONC( 7 ) + CONC( 8 ) .LE. SMALL ) THEN ! Ca,K,Mg=0\n SCP3R = .TRUE. \n ELSE ! all species\n SCP4R = .TRUE.\n END IF\n\n CONC( : ) = MAX ( CONC( : ), SMALL )\n\nC Deliquescence RH calculations\n DNH42S4 = 0.7997D0\n DNH4NO3 = 0.6183D0\n IF ( INT( T ) .NE. 298 ) THEN\n T0 = 298.15D0\n TCF = 1.0D0 / T - 1.0D0 / T0\n DNH4NO3 = DNH4NO3 * EXP( 852.0D0 * TCF )\n DNH42S4 = DNH42S4 * EXP( 80.0D0 * TCF )\n DNH4NO3 = MIN ( DNH4NO3, DNH42S4 ) ! adjust for curves crossing T<271K\n END IF\n\nC Find sub-case \"SC\"\n IF ( SCP1R ) THEN ! NH4-S04 system\n\n IF ( RH .GE. DNH42S4 ) THEN\n S4RATW = GETASR( CONC( 2 ), RH ) ! aerosol sulfate ratio\n ELSE\n S4RATW = 2.0D0 ! dry aerosol sulfate ratio\n END IF\n S4RAT = CONC( 3 ) / CONC( 2 ) ! sulfate ratio (NH4/SO4)\n\n IF ( S4RATW .LE. S4RAT ) THEN ! sulfate poor\n SC = 'S2'\n ELSE IF ( 1.0D0 .LE. S4RAT .AND. S4RAT .LT. S4RATW ) THEN ! sulfate rich (no acid)\n SC = 'B4'\n ELSE IF ( S4RAT .LT. 1.0D0 ) THEN ! sulfate rich (free acid)\n SC = 'C2'\n END IF\n\n ELSE IF ( SCP2R ) THEN ! NH4-SO4-NO3 system\n\n IF ( RH .GE. DNH4NO3 ) THEN\n S4RATW = GETASR( CONC( 2 ), RH )\n ELSE\n S4RATW = 2.0D0 ! dry aerosol ratio\n END IF\n S4RAT = CONC( 3 ) / CONC( 2 )\n\n IF ( S4RATW .LE. S4RAT ) THEN ! sulfate poor\n SC = 'N3'\n ELSE IF ( 1.0D0 .LE. S4RAT .AND. S4RAT .LT. S4RATW ) THEN ! sulfate rich (no acid)\n SC = 'B4'\n ELSE IF ( S4RAT .LT. 1.0D0 ) THEN ! sulfate rich (free acid)\n SC = 'C2'\n END IF\n\n ELSE IF ( SCP3R ) THEN ! NH4-SO4-NO3-Na-Cl system\n\nC Adjust DRH of NH4NO3 for low temperature\n DNACL = 0.7528D0\n DNANO3 = 0.7379D0\n DNH4CL = 0.7710D0\n IF ( INT( T ) .NE. 298 ) THEN\n DNACL = DNACL * EXP( 25.0D0 * TCF )\n DNANO3 = DNANO3 * EXP( 304.0D0 * TCF )\n DNH4CL = DNH4Cl * EXP( 239.0D0 * TCF )\n DNH4NO3 = MIN ( DNH4NO3, DNH4CL, DNANO3, DNACL )\n END IF\n\n IF ( RH .GE. DNH4NO3 ) THEN\n FSO4 = CONC( 2 ) - CONC( 1 ) / 2.0D0 ! sulfate unbound by Na+\n FSO4 = MAX ( FSO4, SMALL )\n SRI = GETASR ( FSO4, RH )\n S4RATW = ( CONC( 1 ) + FSO4 * SRI ) / CONC( 2 )\n S4RATW = MIN ( S4RATW, 2.0D0 )\n ELSE\n S4RATW = 2.0D0 ! ratio for dry aerosol\n END IF\n S4RAT = ( CONC( 1 ) + CONC( 3 ) ) / CONC( 2 )\n NaRAT = CONC( 1 ) / CONC( 2 )\n\n IF ( S4RATW .LE. S4RAT .AND. NaRAT .LT. 2.0D0 ) THEN ! sulfate poor, sodium poor\n SC = 'Q5'\n ELSE IF ( S4RAT .GE. S4RATW .AND. NaRAT .GE. 2.0D0 ) THEN ! SO4 poor, Na rich\n SC = 'R6'\n ELSE IF ( 1.0D0 .LE. S4RAT .AND. S4RAT .LT. S4RATW ) THEN ! SO4 rich, no acid\n SC = 'I6'\n ELSE IF ( S4RAT .LT. 1.0D0 ) THEN ! sulfate rich, free acid\n SC = 'J3'\n END IF\n\n ELSE IF ( SCP4R ) THEN ! NH4-SO4-Na-Cl-Ca-K-Mg system\n\n ! Do I need an RH if check here????\n FSO4 = CONC( 2 ) - CONC( 1 ) / 2.0D0\n & - CONC( 6 ) - CONC( 7 ) / 2.0D0 - CONC( 8 ) ! sulfate unbound by sodium,calcium,pottasium,magnesium\n FSO4 = MAX ( FSO4, SMALL )\n SRI = GETASR( FSO4, RH ) ! sulfate ratio for NH4+\n S4RATW = ( CONC( 1 ) + FSO4 * SRI + CONC( 6 )\n & + CONC( 7 ) + CONC( 8 ) ) / CONC( 2 ) ! limiting sulfate ratio\n S4RATW = MIN ( S4RATW, 2.0D0 )\n S4RAT = ( CONC( 1 ) + CONC( 3 ) + CONC( 6 ) + CONC( 7 ) + CONC( 8 ) ) / CONC( 2 ) ! sulfate ratio\n NaRAT = ( CONC( 1 ) + CONC( 6 ) + CONC( 7 ) + CONC( 8 ) ) / CONC( 2 ) ! crustals+sodium ratio\n CRAT = ( CONC( 6 ) + CONC( 7 ) + CONC( 8 ) ) / CONC( 2 ) ! crustals ratio\n\n IF ( S4RATW .LE. S4RAT .AND. NaRAT .LT. 2.0D0 ) THEN ! sulfate, sodium, crustal poor\n SC = 'V7'\n ELSE IF ( S4RAT .GE. S4RATW .AND. NaRAT .GE. 2.0D0 ) THEN\n IF ( CRAT .LE. 2.0D0 ) THEN ! sulfate poor, dust+sodium rich, dust poor\n SC = 'U8'\n ELSE ! sulfate poor, dust+sodium rich, dust rich\n SC = 'W13'\n END IF\n ELSE IF ( 1.0D0 .LE. S4RAT .AND. S4RAT .LT. S4RATW ) THEN ! sulfate rich, no acid\n SC = 'L9'\n ELSE IF ( S4RAT .LT. 1.0D0 ) THEN ! sulfate rich, free acid\n SC = 'K4'\n END IF\n END IF\n\n !print*,'SUBCASE identified in calc_h2o', SC\n\n END SUBROUTINE GETSC\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n REAL FUNCTION GETAF( NI, NJ, DGNI, DGNJ, XLSGI, XLSGJ, SQRT2 )\n\nC Returns the value of \"Xnum\" in Equations 10a and 10c\nC of Binkowski and Roselle (2003), given the number concentrations,\nC median diameters, and natural logs of the geometric standard\nC deviations, in two lognormal modes. The value returned by GETAF\nC is used subsequently in the mode merging calculations:\nC GETAF = ln( Dij / Dgi ) / ( SQRT2 * ln(Sgi) )\nC where Dij is the diameter of intersection,\nC Dgi is the median diameter of the smaller size mode, and\nC Sgi is the geometric standard deviation of smaller mode.\nC A quadratic equation is solved to obtain GETAF, following the\nC method of Press et al.\nC \nC References:\nC 1. Binkowski, F.S. and S.J. Roselle, Models-3 Community\nC Multiscale Air Quality (CMAQ) model aerosol component 1:\nC Model Description. J. Geophys. Res., Vol 108, No D6, 4183\nC doi:10.1029/2001JD001409, 2003.\nC 2. Press, W.H., S.A. Teukolsky, W.T. Vetterling, and B.P.\nC Flannery, Numerical Recipes in Fortran 77 - 2nd Edition.\nC Cambridge University Press, 1992.\n\n IMPLICIT NONE\n\n REAL NI, NJ, DGNI, DGNJ, XLSGI, XLSGJ, SQRT2\n REAL AA, BB, CC, DISC, QQ, ALFA, L, YJI\n\nC-----------------------------------------------------------------------\n\nC *** Store intermediate values used for the quadratic solution\nC to reduce computational burden\n ALFA = XLSGI / XLSGJ\n YJI = LOG( DGNJ / DGNI ) / ( SQRT2 * XLSGI )\n L = LOG( ALFA * NJ / NI)\n\nC *** Calculate quadratic equation coefficients & discriminant\n AA = 1.0 - ALFA * ALFA\n BB = 2.0 * YJI * ALFA * ALFA\n CC = L - YJI * YJI * ALFA * ALFA\n DISC = BB * BB - 4.0 * AA * CC\n\nC *** If roots are imaginary, return a negative GETAF value so that no\nC mode merging takes place.\n IF ( DISC .LT. 0.0 ) THEN\n GETAF = - 5.0 ! error in intersection\n RETURN\n END IF\n\nC *** Equation 5.6.4 of Press et al.\n QQ = -0.5 * ( BB + SIGN( 1.0, BB ) * SQRT( DISC ) )\n\nC *** Return solution of the quadratic equation that corresponds to a\nC diameter of intersection lying between the median diameters of\nC the 2 modes.\n GETAF = CC / QQ ! See Equation 5.6.5 of Press et al.\n\n RETURN\n END FUNCTION GETAF\n \nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE AERO_INLET ( DGN, XXLSG, RHOP, D_AD1, D_AD2, fPM )\n\nC Calculates the volume fraction of a given aerosol mode that would enter\nC a sharp-cut inlet, using equations from Jiang et al (2006). The\nC parameters D_AD1 and D_AD2 provide the lower and upper cutoff diameters\nC for the inlet size cut and the routine returns the fraction of the\nC size distribution that is transmitted through the hypothetical inlet\nC with the variable fPM. But first, those cutoffs are converted from \nC Aerodynamic Diameter to Stokes Diameter (used internally within CMAQ).\n \nC CMAQ aerosols are represented with Stokes Diameter. There are many\nC alternate forms of diameter including the following:\nC Volume Equivalent Diameter (D_ve) - the diameter of a sphere with the\nC same volume as the particle.\nC Stokes Diameter (D_st) - the diameter of a sphere with the same\nC terminal velocity as the real particle. If the shape factor\nC is 1, then the Stokes and Volume Equivalent Diameters are\nC equal.\nC Aerodynamic Diameter (D_ad) - the diameter of a sphere with unit\nC density and the same terminal velocity as the real particle.\nC If the density is 1, then the Aerodynamic Diameter and Stokes\nC Diameter are equal.\nC Vacuum Aerodynamic Diameter (D_va) - the diameter of a sphere with very\nC high Knudsen number and thus a simplified relationship with\nC Stokes diameter that is only dependent on density and shape\nC factor, not Slip Correction. The very high Knudsen number\nC could be because the particle is very small or because the\nC system pressure is very low.\nC Electrical Mobility Diameter (D_em) - the diameter of a sphere with the\nC same migration velocity as the real particle. Requires a\nC slip-correction and a shape factor correction when converting\nC from volume equivalent diameter.\n \nC Conversions:\nC Parameters\nC rho - Density\nC rho0 - Unit Density (1 g cm-3)\nC Cc( ) - Cunningham Slip Correction of a particular diameter\nC X - Shape factor = (NonSpherical Drag Force)/(Spherical Drag Force)\nC Aerodynamic -> Stokes\nC D_st = D_ad * sqrt(rho0/rho) * sqrt( Cc(D_ad) / Cc(D_st) )\nC Volume Equivalent -> Stokes\nC D_st = D_ve * sqrt(1/X) * sqrt( Cc(D_ve) / Cc(D_st) )\nC Electrical Mobility -> Volume Equivalent\nC D_ve = D_em * [Cc(D_ve) / Cc(D_em)] * 1/X\nC (If X = 1 (i.e. spherical), then D_st = D_ve = D_em )\nC Vacuum Aerodynamic -> Volume Equivalent (DeCarlo et al., 2004)\nC D_ve = D_va * rho0/rho * X\nC (If X = 1 (i.e. spherical), then D_st = D_ve = D_va * rho0/rho )\n \nC Key Subroutines called: none\n \nC Key Functions called: ERF\n \nC Revision History:\nC Coded Jul 2005 by Prakash Bhave\nC Apr 2008 J.Kelly: corrected equation for Dst25 calculation\nC Feb 2016 B.Murphy: modified to output PM1 and PM10 mode\nC fractions in addition to PM2.5\n \nC References:\nC 1. Jiang, W., Smyth, S., Giroux, E., Roth, H., Yin, D., Differences\nC between CMAQ fine mode particle and PM2.5 concentrations and their\nC impact on model performance evaluation in the Lower Fraser Valley,\nC Atmos. Environ., 40:4973-4985, 2006.\nC 2. Meng, Z., Seinfeld, J.H., On the source of the submicrometer\nC droplet mode of urban and regional aerosols, Aerosol Sci. and\nC Technology, 20:253-265, 1994.\n \nC-----------------------------------------------------------------------\n\n IMPLICIT NONE\n\n INCLUDE SUBST_CONST ! for PI\n\nC Input variables\n REAL, INTENT( IN ) :: DGN ! geometric mean Stokes diameter by number [ m ]\n REAL, INTENT( IN ) :: XXLSG ! natural log of geometric standard deviation\n REAL, INTENT( IN ) :: RHOP ! average particle density [ kg/m**3 ]\n REAL, INTENT( IN ) :: D_AD1 ! Lower aerodynamic diameter cut point [ um ]\n REAL, INTENT( IN ) :: D_AD2 ! Upper aerodynamic diameter cut point [ um ]\n\nC Output variable\n REAL, INTENT( OUT ) :: fPM ! fraction of particulate volume transmitted through \n ! hypothetical inlet.\n\nC Internal variables\n REAL, PARAMETER :: SQRT2 = 1.4142136 ! SQRT( 2 )\n REAL, PARAMETER :: B = 0.21470 ! Cunningham slip-correction approx. param [ um ]\n ! This factor works well applied to the entire particle size-range\n ! The approximation is: Cc(Dp) = 1 + B/Dp\n REAL D_ST1, D_ST2 ! Stokes diameter equivalent of DCA..\n REAL DG ! DGN converted to [ um ]\n REAL ERF1, ERF2, ERFARG ! argument of ERF, from Step#6 of Jiang et al. (2006)\n\nC *** Error function approximation, from Meng & Seinfeld (1994)\n REAL ERF ! Error function\n REAL XX ! dummy argument for ERF\n ERF( XX ) = SIGN( 1.0, XX ) * SQRT( 1.0 - EXP( -4.0 * XX * XX / PI ) )\n\nC ----------------------- Begin solution -------------------------------\n\nC *** Calculate Transmission Fractions for Inlets with Aerodynamic\nC Cutoffs\n DG = DGN ! [um] The units need to be equivalent with the B parameter\n\n ! from Meng & Seinfeld (1994) and modified form of Fk(X) equation\n ! in Step#6 of Jiang et al. (2006).\n IF ( D_AD1 .EQ. 0.0 ) THEN\n ERF1 = -1.0\n ELSE\n ! Convert size cut to equivalent Stokes diameter using\n ! equation 2 of Jiang et al. (2006). Note: the equation in Step 5\n ! of this paper has a typo (i.e., eq. 2 is correct).\n D_ST1 = 0.5 * ( SQRT( B ** 2 + 4.0 * D_AD1 *\n & ( D_AD1 + B ) * 1.0E+03 / RHOP ) - B )\n ! Calculate mass fraction with Dca < SizeCut, using ERF approximation\n ERFARG = ( LOG( D_ST1 ) - LOG( DG ) ) / ( SQRT2 * XXLSG ) - 3.0 * XXLSG / SQRT2\n ERF1 = ERF( ERFARG )\n END IF\n\n ! Convert size cut to equivalent Stokes diameter using\n ! equation 2 of Jiang et al. (2006). Note: the equation in Step 5\n ! of this paper has a typo (i.e., eq. 2 is correct).\n D_ST2 = 0.5 * ( SQRT( B ** 2 + 4.0 * D_AD2 *\n & ( D_AD2 + B ) * 1.0E+03 / RHOP ) - B )\n\n ! Calculate mass fraction with Dca < SizeCut, using ERF approximation\n ERFARG = ( LOG( D_ST2 ) - LOG( DG ) ) / ( SQRT2 * XXLSG ) - 3.0 * XXLSG / SQRT2\n ERF2 = ERF( ERFARG )\n\n ! Calculate fraction between Lower and Upper Cut Points\n fPM = 0.5 * ( ERF2 - ERF1 )\n\n END SUBROUTINE AERO_INLET\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE AERO_AMS ( M3_WET, M2_WET, M0, M_H2O, RHOP, RHO_H2O, fAMS )\n\nC The subroutine calculates transmission factors applicable for\nC comparison with AMS measurements using the curve suggested by Jimenez\nC and coworkers (http://cires1.colorado.edu/jimenez-group/wiki/index.php/\nC FAQ_for_AMS_Data_Users#What_is_the_size_cut_of_AMS_measurements.3F).\nC The AMS measures Vacuum Aerodynamic Diameter (D_va) because the pressure is\nC so low in the instrument. This curve (also described in Ensberg et\nC al., 2013) includes the following (Note: before applying the curve,\nC the bounds must be converted to Stokes Diameter):\nC D_va < 0.04 um: 0% transmission (T)\nC 0.04 < D_va < 0.1 um: T% = 1666.6 * (D_va - 0.04) (1)\nC 0.1 < D_va < 0.55 um: T% = 100% (2)\nC 0.55 < D_va < 2.0 um: T% = 100-68.965*(D_va-0.55) (3)\nC 2.0 um < D_va: T = 0%\n \nC CMAQ aerosols are represented with Stokes Diameter. There are many\nC alternate froms of diameter including the following:\nC Volume Equivalent Diameter (D_ve) - the diameter of a sphere with the\nC same volume as the particle.\nC Stokes Diameter (D_st) - the diameter of a sphere with the same\nC terminal velocity as the real particle. If the shape factor\nC is 1, then the Stokes and Volume Equivalent Diameters are\nC equal.\nC Vacuum Aerodynamic Diameter (D_va) - the diameter of a sphere with very\nC high Knudsen number and thus a simplified relationship with\nC Stokes diameter that is only dependent on density and shape\nC factor, not Slip Correction. The very high Knudsen number\nC could be because the particle is very small or because the\nC system pressure is very low.\n \nC Conversions:\nC Parameters\nC ro - Density\nC ro0 - Unit Density (1 g cm-3)\nC Cc( ) - Cunningham Slip Correction of a particular diameter\nC X - Shape factor = (NonSpherical Drag Force)/(Spherical Drag Force)\nC Vacuum Aerodynamic -> Volume Equivalent (DeCarlo et al., 2004)\nC D_ve = D_va * ro0/ro * X\nC (If X = 1 (i.e. spherical), then D_st = D_ve = D_va * ro0/ro )\n \nC Key Functions called: ERF\n \nC Revision History:\nC Coded Feb 2016 B.Murphy: Created\n\nC References:\nC 1. DeCarlo et al., Particle Morphology and Density Characterization\nC by Combined Mobility and Aerodynamic Diameter Measurements. Part 1:\nC Theory, Aerosol Sci. and Technology, 38:1185-1205, 2004\nC 2. Ensberg et al., Inorganic and black carbon aerosols in the Los\nC Angeles Basin during CalNex, Journ. Geophys. Res., 2013.\n\nC-----------------------------------------------------------------------\n\n USE AERO_DATA, ONLY : MIN_SIGMA_G, MAX_SIGMA_G\n USE AEROMET_DATA, ONLY : F6PI, PI6\n\n IMPLICIT NONE\n\n INCLUDE SUBST_CONST ! for PI\n\nC Input variables\n REAL, INTENT( IN ) :: M3_WET ! Third Moment of Wet Distribution (m3/m3)\n REAL, INTENT( IN ) :: M2_WET ! Second Moment of Wet Distribution (m2/m3)\n REAL, INTENT( IN ) :: M0 ! Number of Particles in Distribution (N/m3)\n REAL, INTENT( IN ) :: M_H2O ! Mass Conc. of Water in Particles (ug/m3)\n REAL, INTENT( IN ) :: RHOP ! average particle density [ kg/m**3 ]\n REAL, INTENT( IN ) :: RHO_H2O ! Water Density [ kg/m3 ]\n\nC Output variable\n REAL, INTENT(OUT) :: fAMS ! fraction of particulate volume transmitted through AMS Inlet\n\nC Internal variables\n REAL, PARAMETER :: SQRT2 = 1.4142136 ! SQRT( 2 )\n REAL, PARAMETER :: DGMIN = 1.0E-9 ! min(Dp) in [m]\n REAL, PARAMETER :: ONETHIRD = 1.0 / 3.0\n REAL, PARAMETER :: TWOTHIRDS = 2.0 * ONETHIRD\n\n REAL DG ! DGN converted to [ um ]\n REAL DGv ! Volume Median Diameter\n REAL XXLSG ! ln(StndDev) for current mode\n REAL M3_DRY, M2_DRY, M3SUBT, M_WET, M_DRY, DRY_DENS, DENSFAC\n REAL XFSUM, LXFM2, L2SG, ES36\n REAL DBlo_st, DBhi_st, LOG_HILO, LOG_LOHI, LOG_HI, LOG_LO\n REAL SQRT2LSG, TERM1, TERM2, TERM3, TERM4, TERM5\n\nC *** Error function approximation, from Meng & Seinfeld (1994)\n REAL ERF ! Error function\n REAL XX ! dummy argument for ERF\n ERF( XX ) = SIGN( 1.0, XX ) * SQRT( 1.0 - EXP( -4.0 * XX * XX / PI ) )\n\nC ----------------------- Begin solution -------------------------------\n\nC *** First Calculate Parameters of Dry Distribution since this is more\nC applicable in general to AMS measurements.\n M3SUBT = ( 1.0E-9 * F6PI / RHO_H2O ) * M_H2O ! m3 m-3\n M3_DRY = Max(M3_WET - M3SUBT, 0.0) + TINY(0.0) ! m3 m-3 \n M2_DRY = M2_WET * ( M3_DRY / M3_WET ) ** TWOTHIRDS ! m2 m-3\n\n M_WET = M3_WET * 1.0E+9 * PI6 * RHOP ! ug m-3\n M_DRY = Max(M_WET - M_H2O, 0.0) + TINY(0.0) ! m3 m-3 \n\n DRY_DENS = M_DRY / M3_DRY * F6PI * 1.0E-9 ! kg m-3\n\n XFSUM = ONETHIRD * Log( M0 ) + TWOTHIRDS * Log( M3_DRY )\n LXFM2 = Log( M2_DRY )\n L2SG = XFSUM - LXFM2 ! ( ln(sigma) )^2\n\n L2SG = Min( Max( L2SG, LOG( MIN_SIGMA_G ) ** 2 ), LOG( MAX_SIGMA_G ) ** 2 )\n LXFM2 = XFSUM - L2SG\n ES36 = Exp( 4.5 * L2SG )\n\n DG = Max( DGMIN, ( M3_DRY / ( M0 * ES36 ) ) ** ONETHIRD ) * 1.0E+06 ![um] Units should correspond to D\n XXLSG = Sqrt( L2SG ) ! ln(sigma)\n\n DGv = EXP( LOG( DG ) + 3.0 * L2SG )\n\nC *** Calculate Transmission Fractions for AMS with Vacuum Aerodynamic\nC Cutoffs. This approximation is split into a piecewise function (see\nC Appendix B in Ensberg et al., 2013).\n fAMS = 0.0\n DENSFAC = 1.0E+03 / DRY_DENS ! Density Correction Factor\n ! = rho0 / rho\n ! = 1000.0 / rho\n SQRT2LSG = SQRT2 * XXLSG\n\n ! First Piece of Function [T(%) = 1666.6 * (Dva - 0.04) ]\n DBlo_st = 0.040 * DENSFAC ! Stokes Lower Bound of Piece [um]\n DBhi_st = 0.100 * DENSFAC ! Stokes Upper Bound of Piece [um]\n\n LOG_HILO = LOG( 100.0/40.0 )\n LOG_HI = LOG( DBhi_st/DGv )\n LOG_LO = LOG( DBlo_st/DGv )\n\n TERM1 = LOG( DGv/DBlo_st ) / LOG_HILO\n TERM2 = ERF( LOG_HI / SQRT2LSG )\n & -ERF( LOG_LO / SQRT2LSG )\n TERM3 = XXLSG / ( LOG_HILO * (pi/2.0) ** 0.5 )\n TERM4 = EXP( -1.0 * ( LOG_LO / SQRT2LSG ) ** 2 )\n TERM5 = EXP( -1.0 * ( LOG_HI / SQRT2LSG ) ** 2 )\n\n fAMS = ( TERM1*TERM2 + TERM3*(TERM4-TERM5) )\n\n ! Second Piece of Function [T(%) = 100]\n DBlo_st = DBhi_st ! Stokes Lower Bound [um]\n DBhi_st = 0.55 * DENSFAC ! Stokes Upper Bound [um]\n\n TERM1 = ERF( LOG( DBhi_st/DGv ) / SQRT2LSG )\n TERM2 = ERF( LOG( DBlo_st/DGv ) / SQRT2LSG )\n fAMS = fAMS + (TERM1 - TERM2)\n\n ! Third Piece of Function [T(%) = 1.0 - 0.6805 * (Dva - 0.55) ]\n DBlo_st = DBhi_st ! Stokes Lower Bound [um]\n DBhi_st = 2.0 * DENSFAC ! Stokes Upper Bound [um]\n\n LOG_LOHI = LOG( 550.0/2000.0 )\n LOG_HI = LOG( DBhi_st/DGv )\n LOG_LO = LOG( DBlo_st/DGv )\n\n TERM1 = LOG( DGv/DBhi_st ) / LOG_LOHI\n TERM2 = ERF( LOG_HI / SQRT2LSG )\n & -ERF( LOG_LO / SQRT2LSG )\n TERM3 = XXLSG / ( LOG_LOHI * (pi/2.0) ** 0.5 )\n TERM4 = EXP( -1.0 * ( LOG_LO / SQRT2LSG ) ** 2 )\n TERM5 = EXP( -1.0 * ( LOG_HI / SQRT2LSG ) ** 2 )\n\n fAMS = fAMS + TERM1 * TERM2 + TERM3 * (TERM4-TERM5)\n\n ! Apply the Factor of 0.5 Consistent with Appendix B in Ensberg et\n ! al., 2013. Omit the total mass quantity since these are fractions\n ! we want.\n fAMS = 0.5 * fAMS\n\n END SUBROUTINE AERO_AMS\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n\n SUBROUTINE HETCHEM_EXTRACT_AERO ( CONCVEC, C, R, L, WET_M2, WET_M3, \n & DE_WET )\n\nc Calculates the change in aerosol surface area due to heterogeneous\nC reactions and updates the CGRID array with this information.\n \nC History\nC May 2016: BM Created\n\nC Key Subroutines Called: none\nC\nC Called by: Gas-Phase Chemistry Driver\n USE AERO_DATA, ONLY: EXTRACT_AERO, CALCMOMENTS, N_MODE, MOMENT2_CONC,\n & MOMENT3_CONC, AEROMODE_DIAM, AEROMODE_LNSG,\n & CHEM_M2DRY_INIT, CHEM_M3DRY_INIT, FIXED_SG\n USE AEROMET_DATA, ONLY: pi\n USE GRID_CONF, ONLY: NLAYS, NCOLS, NROWS\n USE PRECURSOR_DATA, ONLY: EXTRACT_PRECURSOR\n\n#ifdef sens\n USE DDM3D_DEFN, ONLY: SENGRID\n\n#endif\n IMPLICIT NONE\n \n REAL, INTENT( IN ) :: CONCVEC ( : ) ! pointer to model concentrations\n REAL, PARAMETER :: TWOTHIRDS = 2.0 / 3.0\n REAL :: M2DRY_FINAL( N_MODE ) ! Dry 2nd Aerosol Moment\n REAL :: M3DRY_FINAL( N_MODE ) ! Dry 3rd Aerosol Moment\n INTEGER :: C, R, L, N\n REAL( 8 ), INTENT(OUT) :: WET_M2( : ), WET_M3( : ), DE_WET( : )\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n ALLOCATE( CHEM_M2DRY_INIT( NCOLS,NROWS,NLAYS,N_MODE ),\n & CHEM_M3DRY_INIT( NCOLS,NROWS,NLAYS,N_MODE ) )\n\n END IF\n\nC *** extract grid cell concentrations of aero species from CGRID\nC into aerospc_conc in aero_data module\nC also converts dry surface area to wet second moment\n#ifdef sens\n CALL EXTRACT_AERO ( CONCVEC(:), .TRUE., SENGRID(NCOLS,NROWS,NLAYS,:,:), .FALSE. )\n#else\n CALL EXTRACT_AERO ( CONCVEC(:), .TRUE. )\n#endif\n\nC *** extract in inorganic aerosol processors\n\n#ifdef sens\n CALL EXTRACT_PRECURSOR( CONCVEC(:), SENGRID( NCOLS,NROWS,NLAYS,:,: ) )\n#else\n CALL EXTRACT_PRECURSOR( CONCVEC(:) ) \n#endif\n\nC *** Update geometric mean diameters, geometric\nC standard deviations, modal mass totals, and modal particle\nC densities, based on the concentrations of M2, M0, and speciated\nC masses.\n CALL getpar( FIXED_sg )\n \nC *** set up variables needed for calculating KN2O5 and YIELD_CLNO2\n\n DO N = 1, N_MODE\nC *** estimate the \"wet third moments\" from moment3_conc\nC Note: this is the H2O concentration from previous time step\n WET_M3( N ) = REAL( MOMENT3_CONC( N ), 8 )\nC *** calculate \"wet second moment\" assuming that H2O does not\nC affect the geometric standard deviation\n WET_M2( N ) = REAL( MOMENT2_CONC( N ), 8 ) \nC *** The \"wet\" geometric mean (same as median) diameter was updated in\nC getpar. It is stored in aeromode_diam\nC *** calculate effective diameter (this is actually the mean) using Eq 3 of Pleim et al (1995)\n DE_WET( N ) = REAL( AEROMODE_DIAM( N ) * EXP( 1.5 * AEROMODE_LNSG( N ) ** 2 ), 8)\n END DO\n\nC *** Retrieve and Save the Dry 3rd and 2nd Moments\n CALL calcmoments( .False. )\n CHEM_M2DRY_INIT( C,R,L,: ) = REAL( MOMENT2_CONC( : ), 8 )\n CHEM_M3DRY_INIT( C,R,L,: ) = REAL( MOMENT3_CONC( : ), 8 )\n\n END SUBROUTINE HETCHEM_EXTRACT_AERO\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n\n SUBROUTINE HETCHEM_UPDATE_AERO ( CGRID )\n\nc Calculates the change in aerosol surface area due to heterogeneous\nC reactions and updates the CGRID array with this information.\nC \nC History\nC May 2016: BM Created\n\nC Key Subroutines Called: none\nC\nC Called by: Gas-Phase Chemistry Driver\n USE AERO_DATA\n USE AEROMET_DATA, ONLY: pi\n USE GRID_CONF, ONLY: NLAYS, NROWS, NCOLS\n\n IMPLICIT NONE\n \n REAL, POINTER :: CGRID ( :,:,:,: ) ! pointer to model concentrations\n REAL, PARAMETER :: TWOTHIRDS = 2.0 / 3.0\n REAL :: M2DRY_FINAL( N_MODE ) ! Dry 2nd Aerosol Moment\n REAL :: M3DRY_FINAL( N_MODE ) ! Dry 3rd Aerosol Moment\n INTEGER L, R, C, M \n\n LOOP_LAY: DO L = 1, NLAYS\n LOOP_ROW: DO R = 1, NROWS\n LOOP_COL: DO C = 1, NCOLS \n \n ! Extract grid cell concentrations of aero species from CGRID\n ! into aerospc_conc in aero_data module\n ! also converts dry surface area to wet second moment\n#ifdef sens\n CALL EXTRACT_AERO ( CGRID( C,R,L,: ), .TRUE., CGRID(C,R,:,: ), .FALSE. )\n#else\n CALL extract_aero ( CGRID( C,R,L,: ), .True. )\n#endif\n\n ! Recalculate Dry 3rd Moment After Chemistry Processes\n ! 2nd moment hasnt been update yet.\n CALL calcmoments( .False. )\n M2DRY_FINAL( : ) = MOMENT2_CONC( : )\n M3DRY_FINAL( : ) = MOMENT3_CONC( : )\n\n ! Calculate new Second Moment Manually\n ! Assume standard deviation is fixed.\n M2DRY_FINAL( : ) = REAL( CHEM_M2DRY_INIT( C,R,L,: ) ) \n & * ( M3DRY_FINAL( : ) \n & / REAL( CHEM_M3DRY_INIT( C,R,L,: ) ) ) ** TWOTHIRDS\n\n ! Update the Aerosol Surface Area making sure to multiply\n ! the 2nd moment by Pi to convert properly\n DO M = 1, N_MODE\n CGRID( C,R,L, aerosrf_map( M ) ) = \n & PI * M2DRY_FINAL( M )\n END DO\n\n END DO LOOP_COL\n END DO LOOP_ROW\n END DO LOOP_LAY\n\n END SUBROUTINE HETCHEM_UPDATE_AERO\n!\n!:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE SUM_INLET_PM ( INLET, WETNESS, PM )\n\n! Calculates the total PM mass below a user-defined cut point D_AD,\n! or Aerodynamic Diameter in um.\n!-----------------------------------------------------------------------\n\n USE AERO_DATA, ONLY : AEROSPC_CONC, AEROSPC, N_MODE, \n & AH2O_IDX, AORGH2O_IDX\n USE ELMO_DATA\n\n IMPLICIT NONE\n\n ! Input variables\n INTEGER, INTENT( INOUT ) :: INLET ! Integer prescribing the inlet type\n ! (see ELMO_INLET table in ELMO_DATA module)\n INTEGER, INTENT( INOUT ) :: WETNESS ! 1 = Wet Aerosol; 2 = Dry Aerosol\n\n ! Output variable\n REAL, INTENT( OUT ) :: PM ! PM Mass below cut point\n\n INTEGER IM\n REAL VAL\n\nC ----------------------- Begin solution -------------------------------\n PM = 0.0\n \n DO IM = 1,N_MODE\n CALL GET_AERO_INLET( INLET, IM, WETNESS, VAL )\n PM = PM + VAL * ( SUM( AEROSPC_CONC( :,IM ), \n & MASK = .NOT.AEROSPC(:)%TRACER )\n & - AEROSPC_CONC( AH2O_IDX,IM ) )\n IF ( AORGH2O_IDX .GT. 0 ) PM = PM\n & - VAL * AEROSPC_CONC( AORGH2O_IDX,IM ) ! ug m-3\n END DO\n \n END SUBROUTINE SUM_INLET_PM\n\n!:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE GET_AERO_INLET ( INLET, IMODE, WETNESS, FRAC )\n\n! Calls the AERO_INLET routine for calculating the fraction of each \n! mode collected by inlet prescribed by INLET. This subroutine is\n! only for PM0.1, PM1, PM2.5, PM10 and PM2.5to10. It is not for\n! AMS inlet calculation. If the user expands the ELMO_INLET\n! table to consider more cutoff ranges, this subroutine can be\n! used to calculate them as well.\n!-----------------------------------------------------------------------\n\n USE ELMO_DATA\n USE AERO_DATA, ONLY : WET_AERO_DIAM, AEROMODE_LNSG, WET_AERO_DENS,\n & DRY_AERO_DIAM, DRY_AERO_DENS\n\n IMPLICIT NONE\n\n ! Input variables\n INTEGER, INTENT( INOUT ) :: INLET ! Integer prescribing the inlet type\n ! (see ELMO_INLET table in ELMO_DATA module)\n INTEGER, INTENT( INOUT ) :: IMODE ! Aerosol Mode of interest\n INTEGER, INTENT( INOUT ) :: WETNESS ! 1 = Wet Aerosol; 2 = Dry Aerosol\n\n ! Output variable\n REAL, INTENT( OUT ) :: FRAC ! Fraction of aerosol mode IM\n ! collected by inlet described by INLET\n\nC ----------------------- Begin solution -------------------------------\n \n IF ( INLET_FRAC( INLET,IMODE,WETNESS ) .LT. 0. ) THEN\n IF ( WETNESS .EQ. IWET ) THEN\n CALL AERO_INLET( WET_AERO_DIAM( IMODE ), AEROMODE_LNSG( IMODE ),\n & WET_AERO_DENS( IMODE ), \n & ELMO_INLET( INLET )%DIAM_LO, \n & ELMO_INLET( INLET )%DIAM_HI, \n & FRAC )\n ELSE\n CALL AERO_INLET( DRY_AERO_DIAM( IMODE ), AEROMODE_LNSG( IMODE ),\n & DRY_AERO_DENS( IMODE ), \n & ELMO_INLET( INLET )%DIAM_LO, \n & ELMO_INLET( INLET )%DIAM_HI, \n & FRAC )\n END IF\n \n INLET_FRAC( INLET,IMODE,WETNESS ) = FRAC \n ELSE\n FRAC = INLET_FRAC( INLET,IMODE,WETNESS )\n END IF\n \n END SUBROUTINE GET_AERO_INLET\n \n!:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE SUM_INLET_NUM ( INLET, WETNESS, NUM )\n\n! Calculates the total particle number within a user-defined range\n! for each aerosol mode and then sums them up.\n!-----------------------------------------------------------------------\n\n USE AERO_DATA, ONLY : DRY_AERO_DIAM, WET_AERO_DIAM,\n & AEROMODE_LNSG, MOMENT0_CONC\n USE ELMO_DATA\n\n IMPLICIT NONE\n\n ! Input variables\n INTEGER, INTENT( INOUT ) :: INLET ! Integer prescribing the inlet type\n ! (see ELMO_INLET table in ELMO_DATA module)\n INTEGER, INTENT( INOUT ) :: WETNESS ! 1 = Wet Aerosol; 2 = Dry Aerosol\n\n ! Output variable\n REAL, INTENT( OUT ) :: NUM ! PM Mass below cut point\n\n INTEGER IM\n REAL FRAC\n\nC ----------------------- Begin solution -------------------------------\n NUM = 0.0\n \n DO IM = 1,N_MODE\n IF ( WETNESS .EQ. IWET ) THEN\n CALL NUM_INLET( WET_AERO_DIAM( IM ), AEROMODE_LNSG( IM ),\n & ELMO_INLET( INLET )%DIAM_LO, \n & ELMO_INLET( INLET )%DIAM_HI, \n & FRAC )\n ELSE\n CALL NUM_INLET( DRY_AERO_DIAM( IM ), AEROMODE_LNSG( IM ),\n & ELMO_INLET( INLET )%DIAM_LO, \n & ELMO_INLET( INLET )%DIAM_HI, \n & FRAC )\n END IF\n \n NUM = NUM + MOMENT0_CONC( IM ) * FRAC\n END DO\n \n END SUBROUTINE SUM_INLET_NUM\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE NUM_INLET ( DGN, XXLSG, D_ST1, D_ST2, fPM )\n\nC Calculates the number fraction of a given aerosol mode that is between\nC cutoff diamters D_ST1 and D_ST2. The Stokes diameter used by CMAQ is \nC assumed to be equivalent to the electrical mobility diameter, reported \nC by typical SMPS datasets. This is true for spherical particles.\nC \nC CMAQ aerosols are represented with Stokes Diameter. There are many\nC alternate forms of diameter including the following:\nC Volume Equivalent Diameter (D_ve) - the diameter of a sphere with the\nC same volume as the particle.\nC Stokes Diameter (D_st) - the diameter of a sphere with the same\nC terminal velocity as the real particle. If the shape factor\nC is 1, then the Stokes and Volume Equivalent Diameters are\nC equal.\nC Aerodynamic Diameter (D_ad) - the diameter of a sphere with unit\nC density and the same terminal velocity as the real particle.\nC If the density is 1, then the Aerodynamic Diameter and Stokes\nC Diameter are equal.\nC Vacuum Aerodynamic Diameter (D_va) - the diameter of a sphere with very\nC high Knudsen number and thus a simplified relationship with\nC Stokes diameter that is only dependent on density and shape\nC factor, not Slip Correction. The very high Knudsen number\nC could be because the particle is very small or because the\nC system pressure is very low.\nC Electrical Mobility Diameter (D_em) - the diameter of a sphere with the\nC same migration velocity as the real particle. Requires a\nC slip-correction and a shape factor correction when converting\nC from volume equivalent diameter.\n \nC Conversions:\nC Parameters\nC rho - Density\nC rho0 - Unit Density (1 g cm-3)\nC Cc( ) - Cunningham Slip Correction of a particular diameter\nC X - Shape factor = (NonSpherical Drag Force)/(Spherical Drag Force)\nC Aerodynamic -> Stokes\nC D_st = D_ad * sqrt(rho0/rho) * sqrt( Cc(D_ad) / Cc(D_st) )\nC Volume Equivalent -> Stokes\nC D_st = D_ve * sqrt(1/X) * sqrt( Cc(D_ve) / Cc(D_st) )\nC Electrical Mobility -> Volume Equivalent\nC D_ve = D_em * [Cc(D_ve) / Cc(D_em)] * 1/X\nC (If X = 1 (i.e. spherical), then D_st = D_ve = D_em )\nC Vacuum Aerodynamic -> Volume Equivalent (DeCarlo et al., 2004)\nC D_ve = D_va * rho0/rho * X\nC (If X = 1 (i.e. spherical), then D_st = D_ve = D_va * rho0/rho )\n \nC Key Subroutines called: none\n \nC Key Functions called: ERF\n \nC Revision History:\nC Coded Jul 2005 by Prakash Bhave\nC Apr 2008 J.Kelly: corrected equation for Dst25 calculation\nC Feb 2016 B.Murphy: modified to output PM1 and PM10 mode\nC fractions in addition to PM2.5\nC Feb 2020 B.Murphy: Created this number synthesizer\nC \nC-----------------------------------------------------------------------\n\n IMPLICIT NONE\n\n INCLUDE SUBST_CONST ! for PI\n\nC Input variables\n REAL, INTENT( IN ) :: DGN ! geometric mean Stokes diameter by NUMBER [ m ]\n ! Remeber that geometric mean and median are\n ! identical for log-normal distributions.\n REAL, INTENT( IN ) :: XXLSG ! natural log of geometric standard deviation\n REAL, INTENT( IN ) :: D_ST1 ! Lower stokes/electricla mobility diameter cut point [ um ]\n REAL, INTENT( IN ) :: D_ST2 ! Upper stokes/electrical mobility diameter cut point [ um ]\n\nC Output variable\n REAL, INTENT( OUT ) :: fPM ! fraction of particulate number transmitted \n ! through size window between D_ST1 and D_ST2\n\nC Internal variables\n REAL, PARAMETER :: SQRT2 = 1.4142136 ! SQRT( 2 )\n REAL ERF1, ERF2 ! argument of ERF, from Step#6 of Jiang et al. (2006)\n REAL ERFARG\n REAL DG ! Internal units for median diameter\n\nC *** Error function approximation, from Meng & Seinfeld (1994)\n REAL ERF ! Error function\n REAL XX ! dummy argument for ERF\n ERF( XX ) = SIGN( 1.0, XX ) * SQRT( 1.0 - EXP( -4.0 * XX * XX / PI ) )\n\nC ----------------------- Begin solution -------------------------------\n\nC *** Calculate Transmission Fractions for Inlets with Aerodynamic\nC Cutoffs\n DG = DGN ! [um] The units need to be equivalent with the B parameter\n\n ! from Meng & Seinfeld (1994) and modified form of Fk(X) equation\n ! in Step#6 of Jiang et al. (2006).\n IF ( D_ST1 .EQ. 0.0 ) THEN\n ERF1 = -1.0\n ELSE\n ! Calculate mass fraction with Dca < SizeCut, using ERF approximation\n ERFARG = ( LOG( D_ST1 ) - LOG( DG ) ) / ( SQRT2 * XXLSG ) \n ERF1 = ERF( ERFARG )\n END IF\n\n ! Calculate mass fraction with Dca < SizeCut, using ERF approximation\n ERFARG = ( LOG( D_ST2 ) - LOG( DG ) ) / ( SQRT2 * XXLSG ) \n ERF2 = ERF( ERFARG )\n\n ! Calculate fraction between Lower and Upper Cut Points\n fPM = 0.5 * ( ERF2 - ERF1 )\n\n END SUBROUTINE NUM_INLET\n \n" }, { "path": "CCTM/src/aero/aero6/coags.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE GETCOAGS( LAMDA, KFMATAC, KFMAT, KFMAC, KNC, \n & DGATK, DGACC, SGATK, SGACC, XXLSGAT, XXLSGAC, \n & QS11, QN11, QS22, QN22, \n & QS12, QS21, QN12, QV12 )\n\nc Calculates the coagulation rates using a new approximate algorithm\nc for the 2nd moment. The 0th and 3rd moments are done by analytic\nc expressions from Whitby et al. (1991). The correction factors are also\nc similar to those from Whitby et al. (1991), but are derived from the\nc Gauss-Hermite numerical quadratures used by Binkowski and Roselle (2003).\n \nc Revision History:\nc FSB 08/25/03 Coded by Dr. Francis S. Binkowksi\nc FSB 08/25/04 Added in-line documentation\n \nc References:\nc 1. Whitby, E. R., P. H. McMurry, U. Shankar, and F. S. Binkowski,\nc Modal Aerosol Dynamics Modeling, Rep. 600/3-91/020, Atmospheric \nc Research and Exposure Assessment Laboratory, \nc U.S. Environmental Protection Agency, Research Triangle Park, N.C., \nc (NTIS PB91-161729/AS), 1991\nc\nc 2. Binkowski, F.S. an U. Shankar, The Regional Particulate Matter\nc Model 1. Model decsription and preliminary Results, Journal of\nc Geophysical Research, 100, D12, pp 26,191-26,209, \nc December 20, 1995.\nc\nc 3. Binkowski, F.S. and S.J. Roselle, Models-3 Community \nc Multiscale Air Quality (CMAQ) model aerosol component 1:\nc Model Description. J. Geophys. Res., Vol 108, No D6, 4183\nc doi:10.1029/2001JD001409, 2003.\nC-----------------------------------------------------------------------\n\n IMPLICIT NONE\n\nC *** Arguments:\n \n REAL( 8 ) :: LAMDA ! mean free path [ m ]\n\n ! coefficients for Free Molecular regime:\n REAL( 8 ) :: KFMAT ! Aitken mode\n REAL( 8 ) :: KFMAC ! accumulation mode \n REAL( 8 ) :: KFMATAC ! Aitken to accumulation mode\n\n REAL( 8 ) :: KNC ! coefficient for Near Continuum regime\n\n ! modal geometric mean diameters: [ m ]\n REAL( 8 ) :: DGATK ! Aitken mode\n REAL( 8 ) :: DGACC ! accumulation mode\n\n ! modal geometric standard deviation:\n REAL( 8 ) :: SGATK ! Atken mode\n REAL( 8 ) :: SGACC ! accumulation mode\n\n ! natural log of modal geometric standard deviation:\n REAL( 8 ) :: XXLSGAT ! Aitken mode\n REAL( 8 ) :: XXLSGAC ! accumulation mode\n\n ! coagulation coefficients\n REAL( 8 ) :: QS11, QN11, QS22, QN22,\n & QS12, QS21, QN12, QV12 \n\nC *** Local Variables:\n\n INTEGER IBETA, N1, N2A, N2N ! indices for correction factors\n\n REAL( 8 ) :: I1FM_AT\n REAL( 8 ) :: I1NC_AT\n REAL( 8 ) :: I1_AT\n \n REAL( 8 ) :: I1FM_AC\n REAL( 8 ) :: I1NC_AC\n REAL( 8 ) :: I1_AC\n \n REAL( 8 ) :: I1FM\n REAL( 8 ) :: I1NC\n REAL( 8 ) :: I1\n \n REAL( 8 ) :: CONSTII\n \n REAL( 8 ) :: KNGAT, KNGAC\n\n REAL( 8 ), PARAMETER :: ONE = 1.0D0, TWO = 2.0D0, HALF = 0.5D0\n! REAL( 8 ), PARAMETER :: A = 2.492D0\n REAL( 8 ), PARAMETER :: A = 1.246D0\n REAL( 8 ), PARAMETER :: TWO3RDS = 2.D0 / 3.D0\n\n REAL( 8 ) :: SQRTTWO ! sqrt(2.0)\n REAL( 8 ) :: DLGSQT2 ! 1/ln( sqrt( 2.0 ) )\n\n REAL( 8 ) :: ESAT01 ! Aitken mode exp( log^2( sigmag )/8 )\n REAL( 8 ) :: ESAC01 ! accumulation mode exp( log^2( sigmag )/8 )\n\n REAL( 8 ) :: ESAT04\n REAL( 8 ) :: ESAC04\n\n REAL( 8 ) :: ESAT05\n REAL( 8 ) :: ESAC05\n\n REAL( 8 ) :: ESAT08\n REAL( 8 ) :: ESAC08\n\n REAL( 8 ) :: ESAT09\n REAL( 8 ) :: ESAC09\n\n REAL( 8 ) :: ESAT16\n REAL( 8 ) :: ESAC16\n \n REAL( 8 ) :: ESAT20\n REAL( 8 ) :: ESAC20\n \n REAL( 8 ) :: ESAT24\n REAL( 8 ) :: ESAC24\n \n REAL( 8 ) :: ESAT25\n REAL( 8 ) :: ESAC25\n \n REAL( 8 ) :: ESAT36\n REAL( 8 ) :: ESAC36\n\n REAL( 8 ) :: ESAT49\n \n REAL( 8 ) :: ESAT64\n REAL( 8 ) :: ESAC64\n \n REAL( 8 ) :: ESAT100\n \n REAL( 8 ) :: DGAT2, DGAC2, DGAT3, DGAC3\n REAL( 8 ) :: SQDGAT, SQDGAC\n REAL( 8 ) :: SQDGAT5, SQDGAC5\n REAL( 8 ) :: SQDGAT7\n REAL( 8 ) :: R, R2, R3, R4, R6\n REAL( 8 ) :: RI1, RI2, RI3, RI4\n REAL( 8 ) :: RAT\n REAL( 8 ) :: COAGFM0, COAGNC0\n REAL( 8 ) :: COAGFM3, COAGNC3\n REAL( 8 ) :: COAGFM_AT, COAGFM_AC\n REAL( 8 ) :: COAGNC_AT, COAGNC_AC\n REAL( 8 ) :: COAGATAT0\n REAL( 8 ) :: COAGACAC0\n REAL( 8 ) :: COAGATAT2\n REAL( 8 ) :: COAGACAC2\n REAL( 8 ) :: COAGATAC0, COAGATAC3\n REAL( 8 ) :: COAGATAC2\n REAL( 8 ) :: COAGACAT2\n\nC *** correction factors for coagulation rates \n REAL :: BM0 ( 10 ) ! M0 INTRAmodal FM - RPM values\n REAL :: BM0IJ ( 10,10,10 ) ! M0 INTERmodal FM\n REAL :: BM3I ( 10,10,10 ) ! M3 INTERmodal FM- RPM values\n REAL :: BM2II ( 10 ) ! M2 INTRAmodal FM\n REAL :: BM2IITT( 10 ) ! M2 INTRAmodal total\n REAL :: BM2IJ ( 10,10,10 ) ! M2 INTERmodal FM i to j\n REAL :: BM2JI ( 10,10,10 ) ! M2 total INTERmodal j from i\n\nC *** populate the arrays for the correction factors.\n\nC RPM 0th moment correction factors for UNIMODAL FM coagulation rates\n DATA BM0 /\n & 0.707106785165097, 0.726148960080488, 0.766430744110958,\n & 0.814106389441342, 0.861679526483207, 0.903600509090092,\n & 0.936578814219156, 0.960098926735545, 0.975646823342881,\n & 0.985397173215326 /\n\nC FSB new FM correction factors for M0 INTERmodal coagulation\n\n DATA ( BM0IJ( 1, 1,IBETA ), IBETA = 1, 10 ) /\n & 0.628539, 0.639610, 0.664514, 0.696278, 0.731558,\n & 0.768211, 0.804480, 0.838830, 0.870024, 0.897248/\n DATA ( BM0IJ( 1, 2,IBETA ), IBETA = 1, 10 ) /\n & 0.639178, 0.649966, 0.674432, 0.705794, 0.740642,\n & 0.776751, 0.812323, 0.845827, 0.876076, 0.902324/\n DATA ( BM0IJ( 1, 3,IBETA ), IBETA = 1, 10 ) /\n & 0.663109, 0.673464, 0.697147, 0.727637, 0.761425,\n & 0.796155, 0.829978, 0.861419, 0.889424, 0.913417/\n DATA ( BM0IJ( 1, 4,IBETA ), IBETA = 1, 10 ) /\n & 0.693693, 0.703654, 0.726478, 0.755786, 0.787980,\n & 0.820626, 0.851898, 0.880459, 0.905465, 0.926552/\n DATA ( BM0IJ( 1, 5,IBETA ), IBETA = 1, 10 ) /\n & 0.727803, 0.737349, 0.759140, 0.786870, 0.816901,\n & 0.846813, 0.874906, 0.900060, 0.921679, 0.939614/\n DATA ( BM0IJ( 1, 6,IBETA ), IBETA = 1, 10 ) /\n & 0.763461, 0.772483, 0.792930, 0.818599, 0.845905,\n & 0.872550, 0.897051, 0.918552, 0.936701, 0.951528/\n DATA ( BM0IJ( 1, 7,IBETA ), IBETA = 1, 10 ) /\n & 0.799021, 0.807365, 0.826094, 0.849230, 0.873358,\n & 0.896406, 0.917161, 0.935031, 0.949868, 0.961828/\n DATA ( BM0IJ( 1, 8,IBETA ), IBETA = 1, 10 ) /\n & 0.833004, 0.840514, 0.857192, 0.877446, 0.898147,\n & 0.917518, 0.934627, 0.949106, 0.960958, 0.970403/\n DATA ( BM0IJ( 1, 9,IBETA ), IBETA = 1, 10 ) /\n & 0.864172, 0.870734, 0.885153, 0.902373, 0.919640,\n & 0.935494, 0.949257, 0.960733, 0.970016, 0.977346/\n DATA ( BM0IJ( 1, 10,IBETA ), IBETA = 1, 10 ) /\n & 0.891658, 0.897227, 0.909343, 0.923588, 0.937629,\n & 0.950307, 0.961151, 0.970082, 0.977236, 0.982844/\n DATA ( BM0IJ( 2, 1,IBETA ), IBETA = 1, 10 ) /\n & 0.658724, 0.670587, 0.697539, 0.731890, 0.769467,\n & 0.807391, 0.843410, 0.875847, 0.903700, 0.926645/\n DATA ( BM0IJ( 2, 2,IBETA ), IBETA = 1, 10 ) /\n & 0.667070, 0.678820, 0.705538, 0.739591, 0.776758,\n & 0.814118, 0.849415, 0.881020, 0.908006, 0.930121/\n DATA ( BM0IJ( 2, 3,IBETA ), IBETA = 1, 10 ) /\n & 0.686356, 0.697839, 0.723997, 0.757285, 0.793389,\n & 0.829313, 0.862835, 0.892459, 0.917432, 0.937663/\n DATA ( BM0IJ( 2, 4,IBETA ), IBETA = 1, 10 ) /\n & 0.711425, 0.722572, 0.747941, 0.780055, 0.814518,\n & 0.848315, 0.879335, 0.906290, 0.928658, 0.946526/\n DATA ( BM0IJ( 2, 5,IBETA ), IBETA = 1, 10 ) /\n & 0.739575, 0.750307, 0.774633, 0.805138, 0.837408,\n & 0.868504, 0.896517, 0.920421, 0.939932, 0.955299/\n DATA ( BM0IJ( 2, 6,IBETA ), IBETA = 1, 10 ) /\n & 0.769143, 0.779346, 0.802314, 0.830752, 0.860333,\n & 0.888300, 0.913014, 0.933727, 0.950370, 0.963306/\n DATA ( BM0IJ( 2, 7,IBETA ), IBETA = 1, 10 ) /\n & 0.798900, 0.808431, 0.829700, 0.855653, 0.882163,\n & 0.906749, 0.928075, 0.945654, 0.959579, 0.970280/\n DATA ( BM0IJ( 2, 8,IBETA ), IBETA = 1, 10 ) /\n & 0.827826, 0.836542, 0.855808, 0.878954, 0.902174,\n & 0.923316, 0.941345, 0.955989, 0.967450, 0.976174/\n DATA ( BM0IJ( 2, 9,IBETA ), IBETA = 1, 10 ) /\n & 0.855068, 0.862856, 0.879900, 0.900068, 0.919956,\n & 0.937764, 0.952725, 0.964726, 0.974027, 0.981053/\n DATA ( BM0IJ( 2, 10,IBETA ), IBETA = 1, 10 ) /\n & 0.879961, 0.886755, 0.901484, 0.918665, 0.935346,\n & 0.950065, 0.962277, 0.971974, 0.979432, 0.985033/\n DATA ( BM0IJ( 3, 1,IBETA ), IBETA = 1, 10 ) /\n & 0.724166, 0.735474, 0.761359, 0.794045, 0.828702,\n & 0.862061, 0.891995, 0.917385, 0.937959, 0.954036/\n DATA ( BM0IJ( 3, 2,IBETA ), IBETA = 1, 10 ) /\n & 0.730416, 0.741780, 0.767647, 0.800116, 0.834344,\n & 0.867093, 0.896302, 0.920934, 0.940790, 0.956237/\n DATA ( BM0IJ( 3, 3,IBETA ), IBETA = 1, 10 ) /\n & 0.745327, 0.756664, 0.782255, 0.814026, 0.847107,\n & 0.878339, 0.905820, 0.928699, 0.946931, 0.960977/\n DATA ( BM0IJ( 3, 4,IBETA ), IBETA = 1, 10 ) /\n & 0.765195, 0.776312, 0.801216, 0.831758, 0.863079,\n & 0.892159, 0.917319, 0.937939, 0.954145, 0.966486/\n DATA ( BM0IJ( 3, 5,IBETA ), IBETA = 1, 10 ) /\n & 0.787632, 0.798347, 0.822165, 0.850985, 0.880049,\n & 0.906544, 0.929062, 0.947218, 0.961288, 0.971878/\n DATA ( BM0IJ( 3, 6,IBETA ), IBETA = 1, 10 ) /\n & 0.811024, 0.821179, 0.843557, 0.870247, 0.896694,\n & 0.920365, 0.940131, 0.955821, 0.967820, 0.976753/\n DATA ( BM0IJ( 3, 7,IBETA ), IBETA = 1, 10 ) /\n & 0.834254, 0.843709, 0.864356, 0.888619, 0.912245,\n & 0.933019, 0.950084, 0.963438, 0.973530, 0.980973/\n DATA ( BM0IJ( 3, 8,IBETA ), IBETA = 1, 10 ) /\n & 0.856531, 0.865176, 0.883881, 0.905544, 0.926290,\n & 0.944236, 0.958762, 0.969988, 0.978386, 0.984530/\n DATA ( BM0IJ( 3, 9,IBETA ), IBETA = 1, 10 ) /\n & 0.877307, 0.885070, 0.901716, 0.920729, 0.938663,\n & 0.953951, 0.966169, 0.975512, 0.982442, 0.987477/\n DATA ( BM0IJ( 3, 10,IBETA ), IBETA = 1, 10 ) /\n & 0.896234, 0.903082, 0.917645, 0.934069, 0.949354,\n & 0.962222, 0.972396, 0.980107, 0.985788, 0.989894/\n DATA ( BM0IJ( 4, 1,IBETA ), IBETA = 1, 10 ) /\n & 0.799294, 0.809144, 0.831293, 0.858395, 0.885897,\n & 0.911031, 0.932406, 0.949642, 0.963001, 0.973062/\n DATA ( BM0IJ( 4, 2,IBETA ), IBETA = 1, 10 ) /\n & 0.804239, 0.814102, 0.836169, 0.862984, 0.890003,\n & 0.914535, 0.935274, 0.951910, 0.964748, 0.974381/\n DATA ( BM0IJ( 4, 3,IBETA ), IBETA = 1, 10 ) /\n & 0.815910, 0.825708, 0.847403, 0.873389, 0.899185,\n & 0.922275, 0.941543, 0.956826, 0.968507, 0.977204/\n DATA ( BM0IJ( 4, 4,IBETA ), IBETA = 1, 10 ) /\n & 0.831348, 0.840892, 0.861793, 0.886428, 0.910463,\n & 0.931614, 0.948993, 0.962593, 0.972872, 0.980456/\n DATA ( BM0IJ( 4, 5,IBETA ), IBETA = 1, 10 ) /\n & 0.848597, 0.857693, 0.877402, 0.900265, 0.922180,\n & 0.941134, 0.956464, 0.968298, 0.977143, 0.983611/\n DATA ( BM0IJ( 4, 6,IBETA ), IBETA = 1, 10 ) /\n & 0.866271, 0.874764, 0.892984, 0.913796, 0.933407,\n & 0.950088, 0.963380, 0.973512, 0.981006, 0.986440/\n DATA ( BM0IJ( 4, 7,IBETA ), IBETA = 1, 10 ) /\n & 0.883430, 0.891216, 0.907762, 0.926388, 0.943660,\n & 0.958127, 0.969499, 0.978070, 0.984351, 0.988872/\n DATA ( BM0IJ( 4, 8,IBETA ), IBETA = 1, 10 ) /\n & 0.899483, 0.906505, 0.921294, 0.937719, 0.952729,\n & 0.965131, 0.974762, 0.981950, 0.987175, 0.990912/\n DATA ( BM0IJ( 4, 9,IBETA ), IBETA = 1, 10 ) /\n & 0.914096, 0.920337, 0.933373, 0.947677, 0.960579,\n & 0.971111, 0.979206, 0.985196, 0.989520, 0.992597/\n DATA ( BM0IJ( 4, 10,IBETA ), IBETA = 1, 10 ) /\n & 0.927122, 0.932597, 0.943952, 0.956277, 0.967268,\n & 0.976147, 0.982912, 0.987882, 0.991450, 0.993976/\n DATA ( BM0IJ( 5, 1,IBETA ), IBETA = 1, 10 ) /\n & 0.865049, 0.872851, 0.889900, 0.909907, 0.929290,\n & 0.946205, 0.959991, 0.970706, 0.978764, 0.984692/\n DATA ( BM0IJ( 5, 2,IBETA ), IBETA = 1, 10 ) /\n & 0.868989, 0.876713, 0.893538, 0.913173, 0.932080,\n & 0.948484, 0.961785, 0.972080, 0.979796, 0.985457/\n DATA ( BM0IJ( 5, 3,IBETA ), IBETA = 1, 10 ) /\n & 0.878010, 0.885524, 0.901756, 0.920464, 0.938235,\n & 0.953461, 0.965672, 0.975037, 0.982005, 0.987085/\n DATA ( BM0IJ( 5, 4,IBETA ), IBETA = 1, 10 ) /\n & 0.889534, 0.896698, 0.912012, 0.929395, 0.945647,\n & 0.959366, 0.970227, 0.978469, 0.984547, 0.988950/\n DATA ( BM0IJ( 5, 5,IBETA ), IBETA = 1, 10 ) /\n & 0.902033, 0.908713, 0.922848, 0.938648, 0.953186,\n & 0.965278, 0.974729, 0.981824, 0.987013, 0.990746/\n DATA ( BM0IJ( 5, 6,IBETA ), IBETA = 1, 10 ) /\n & 0.914496, 0.920599, 0.933389, 0.947485, 0.960262,\n & 0.970743, 0.978839, 0.984858, 0.989225, 0.992348/\n DATA ( BM0IJ( 5, 7,IBETA ), IBETA = 1, 10 ) /\n & 0.926281, 0.931761, 0.943142, 0.955526, 0.966600,\n & 0.975573, 0.982431, 0.987485, 0.991128, 0.993718/\n DATA ( BM0IJ( 5, 8,IBETA ), IBETA = 1, 10 ) /\n & 0.937029, 0.941877, 0.951868, 0.962615, 0.972112,\n & 0.979723, 0.985488, 0.989705, 0.992725, 0.994863/\n DATA ( BM0IJ( 5, 9,IBETA ), IBETA = 1, 10 ) /\n & 0.946580, 0.950819, 0.959494, 0.968732, 0.976811,\n & 0.983226, 0.988047, 0.991550, 0.994047, 0.995806/\n DATA ( BM0IJ( 5, 10,IBETA ), IBETA = 1, 10 ) /\n & 0.954909, 0.958581, 0.966049, 0.973933, 0.980766,\n & 0.986149, 0.990166, 0.993070, 0.995130, 0.996577/\n DATA ( BM0IJ( 6, 1,IBETA ), IBETA = 1, 10 ) /\n & 0.914182, 0.919824, 0.931832, 0.945387, 0.957999,\n & 0.968606, 0.976982, 0.983331, 0.988013, 0.991407/\n DATA ( BM0IJ( 6, 2,IBETA ), IBETA = 1, 10 ) /\n & 0.917139, 0.922665, 0.934395, 0.947580, 0.959792,\n & 0.970017, 0.978062, 0.984138, 0.988609, 0.991843/\n DATA ( BM0IJ( 6, 3,IBETA ), IBETA = 1, 10 ) /\n & 0.923742, 0.928990, 0.940064, 0.952396, 0.963699,\n & 0.973070, 0.980381, 0.985866, 0.989878, 0.992768/\n DATA ( BM0IJ( 6, 4,IBETA ), IBETA = 1, 10 ) /\n & 0.931870, 0.936743, 0.946941, 0.958162, 0.968318,\n & 0.976640, 0.983069, 0.987853, 0.991330, 0.993822/\n DATA ( BM0IJ( 6, 5,IBETA ), IBETA = 1, 10 ) /\n & 0.940376, 0.944807, 0.954004, 0.963999, 0.972928,\n & 0.980162, 0.985695, 0.989779, 0.992729, 0.994833/\n DATA ( BM0IJ( 6, 6,IBETA ), IBETA = 1, 10 ) /\n & 0.948597, 0.952555, 0.960703, 0.969454, 0.977181,\n & 0.983373, 0.988067, 0.991507, 0.993977, 0.995730/\n DATA ( BM0IJ( 6, 7,IBETA ), IBETA = 1, 10 ) /\n & 0.956167, 0.959648, 0.966763, 0.974326, 0.980933,\n & 0.986177, 0.990121, 0.992993, 0.995045, 0.996495/\n DATA ( BM0IJ( 6, 8,IBETA ), IBETA = 1, 10 ) /\n & 0.962913, 0.965937, 0.972080, 0.978552, 0.984153,\n & 0.988563, 0.991857, 0.994242, 0.995938, 0.997133/\n DATA ( BM0IJ( 6, 9,IBETA ), IBETA = 1, 10 ) /\n & 0.968787, 0.971391, 0.976651, 0.982148, 0.986869,\n & 0.990560, 0.993301, 0.995275, 0.996675, 0.997657/\n DATA ( BM0IJ( 6, 10,IBETA ), IBETA = 1, 10 ) /\n & 0.973822, 0.976047, 0.980523, 0.985170, 0.989134,\n & 0.992215, 0.994491, 0.996124, 0.997277, 0.998085/\n DATA ( BM0IJ( 7, 1,IBETA ), IBETA = 1, 10 ) /\n & 0.947410, 0.951207, 0.959119, 0.967781, 0.975592,\n & 0.981981, 0.986915, 0.990590, 0.993266, 0.995187/\n DATA ( BM0IJ( 7, 2,IBETA ), IBETA = 1, 10 ) /\n & 0.949477, 0.953161, 0.960824, 0.969187, 0.976702,\n & 0.982831, 0.987550, 0.991057, 0.993606, 0.995434/\n DATA ( BM0IJ( 7, 3,IBETA ), IBETA = 1, 10 ) /\n & 0.954008, 0.957438, 0.964537, 0.972232, 0.979095,\n & 0.984653, 0.988907, 0.992053, 0.994330, 0.995958/\n DATA ( BM0IJ( 7, 4,IBETA ), IBETA = 1, 10 ) /\n & 0.959431, 0.962539, 0.968935, 0.975808, 0.981882,\n & 0.986759, 0.990466, 0.993190, 0.995153, 0.996552/\n DATA ( BM0IJ( 7, 5,IBETA ), IBETA = 1, 10 ) /\n & 0.964932, 0.967693, 0.973342, 0.979355, 0.984620,\n & 0.988812, 0.991974, 0.994285, 0.995943, 0.997119/\n DATA ( BM0IJ( 7, 6,IBETA ), IBETA = 1, 10 ) /\n & 0.970101, 0.972517, 0.977428, 0.982612, 0.987110,\n & 0.990663, 0.993326, 0.995261, 0.996644, 0.997621/\n DATA ( BM0IJ( 7, 7,IBETA ), IBETA = 1, 10 ) /\n & 0.974746, 0.976834, 0.981055, 0.985475, 0.989280,\n & 0.992265, 0.994488, 0.996097, 0.997241, 0.998048/\n DATA ( BM0IJ( 7, 8,IBETA ), IBETA = 1, 10 ) /\n & 0.978804, 0.980591, 0.984187, 0.987927, 0.991124,\n & 0.993617, 0.995464, 0.996795, 0.997739, 0.998403/\n DATA ( BM0IJ( 7, 9,IBETA ), IBETA = 1, 10 ) /\n & 0.982280, 0.983799, 0.986844, 0.989991, 0.992667,\n & 0.994742, 0.996273, 0.997372, 0.998149, 0.998695/\n DATA ( BM0IJ( 7, 10,IBETA ), IBETA = 1, 10 ) /\n & 0.985218, 0.986503, 0.989071, 0.991711, 0.993945,\n & 0.995669, 0.996937, 0.997844, 0.998484, 0.998932/\n DATA ( BM0IJ( 8, 1,IBETA ), IBETA = 1, 10 ) /\n & 0.968507, 0.970935, 0.975916, 0.981248, 0.985947,\n & 0.989716, 0.992580, 0.994689, 0.996210, 0.997297/\n DATA ( BM0IJ( 8, 2,IBETA ), IBETA = 1, 10 ) /\n & 0.969870, 0.972210, 0.977002, 0.982119, 0.986619,\n & 0.990219, 0.992951, 0.994958, 0.996405, 0.997437/\n DATA ( BM0IJ( 8, 3,IBETA ), IBETA = 1, 10 ) /\n & 0.972820, 0.974963, 0.979339, 0.983988, 0.988054,\n & 0.991292, 0.993738, 0.995529, 0.996817, 0.997734/\n DATA ( BM0IJ( 8, 4,IBETA ), IBETA = 1, 10 ) /\n & 0.976280, 0.978186, 0.982060, 0.986151, 0.989706,\n & 0.992520, 0.994636, 0.996179, 0.997284, 0.998069/\n DATA ( BM0IJ( 8, 5,IBETA ), IBETA = 1, 10 ) /\n & 0.979711, 0.981372, 0.984735, 0.988263, 0.991309,\n & 0.993706, 0.995499, 0.996801, 0.997730, 0.998389/\n DATA ( BM0IJ( 8, 6,IBETA ), IBETA = 1, 10 ) /\n & 0.982863, 0.984292, 0.987172, 0.990174, 0.992750,\n & 0.994766, 0.996266, 0.997352, 0.998125, 0.998670/\n DATA ( BM0IJ( 8, 7,IBETA ), IBETA = 1, 10 ) /\n & 0.985642, 0.986858, 0.989301, 0.991834, 0.993994,\n & 0.995676, 0.996923, 0.997822, 0.998460, 0.998910/\n DATA ( BM0IJ( 8, 8,IBETA ), IBETA = 1, 10 ) /\n & 0.988029, 0.989058, 0.991116, 0.993240, 0.995043,\n & 0.996440, 0.997472, 0.998214, 0.998739, 0.999108/\n DATA ( BM0IJ( 8, 9,IBETA ), IBETA = 1, 10 ) /\n & 0.990046, 0.990912, 0.992640, 0.994415, 0.995914,\n & 0.997073, 0.997925, 0.998536, 0.998968, 0.999271/\n DATA ( BM0IJ( 8, 10,IBETA ), IBETA = 1, 10 ) /\n & 0.991732, 0.992459, 0.993906, 0.995386, 0.996633,\n & 0.997592, 0.998296, 0.998799, 0.999154, 0.999403/\n DATA ( BM0IJ( 9, 1,IBETA ), IBETA = 1, 10 ) /\n & 0.981392, 0.982893, 0.985938, 0.989146, 0.991928,\n & 0.994129, 0.995783, 0.996991, 0.997857, 0.998473/\n DATA ( BM0IJ( 9, 2,IBETA ), IBETA = 1, 10 ) /\n & 0.982254, 0.983693, 0.986608, 0.989673, 0.992328,\n & 0.994424, 0.995998, 0.997146, 0.997969, 0.998553/\n DATA ( BM0IJ( 9, 3,IBETA ), IBETA = 1, 10 ) /\n & 0.984104, 0.985407, 0.988040, 0.990798, 0.993178,\n & 0.995052, 0.996454, 0.997474, 0.998204, 0.998722/\n DATA ( BM0IJ( 9, 4,IBETA ), IBETA = 1, 10 ) /\n & 0.986243, 0.987386, 0.989687, 0.992087, 0.994149,\n & 0.995765, 0.996971, 0.997846, 0.998470, 0.998913/\n DATA ( BM0IJ( 9, 5,IBETA ), IBETA = 1, 10 ) /\n & 0.988332, 0.989313, 0.991284, 0.993332, 0.995082,\n & 0.996449, 0.997465, 0.998200, 0.998723, 0.999093/\n DATA ( BM0IJ( 9, 6,IBETA ), IBETA = 1, 10 ) /\n & 0.990220, 0.991053, 0.992721, 0.994445, 0.995914,\n & 0.997056, 0.997902, 0.998513, 0.998947, 0.999253/\n DATA ( BM0IJ( 9, 7,IBETA ), IBETA = 1, 10 ) /\n & 0.991859, 0.992561, 0.993961, 0.995403, 0.996626,\n & 0.997574, 0.998274, 0.998778, 0.999136, 0.999387/\n DATA ( BM0IJ( 9, 8,IBETA ), IBETA = 1, 10 ) /\n & 0.993250, 0.993837, 0.995007, 0.996208, 0.997223,\n & 0.998007, 0.998584, 0.998999, 0.999293, 0.999499/\n DATA ( BM0IJ( 9, 9,IBETA ), IBETA = 1, 10 ) /\n & 0.994413, 0.994903, 0.995878, 0.996876, 0.997716,\n & 0.998363, 0.998839, 0.999180, 0.999421, 0.999591/\n DATA ( BM0IJ( 9, 10,IBETA ), IBETA = 1, 10 ) /\n & 0.995376, 0.995785, 0.996597, 0.997425, 0.998121,\n & 0.998655, 0.999048, 0.999328, 0.999526, 0.999665/\n DATA ( BM0IJ( 10, 1,IBETA ), IBETA = 1, 10 ) /\n & 0.989082, 0.989991, 0.991819, 0.993723, 0.995357,\n & 0.996637, 0.997592, 0.998286, 0.998781, 0.999132/\n DATA ( BM0IJ( 10, 2,IBETA ), IBETA = 1, 10 ) /\n & 0.989613, 0.990480, 0.992224, 0.994039, 0.995594,\n & 0.996810, 0.997717, 0.998375, 0.998845, 0.999178/\n DATA ( BM0IJ( 10, 3,IBETA ), IBETA = 1, 10 ) /\n & 0.990744, 0.991523, 0.993086, 0.994708, 0.996094,\n & 0.997176, 0.997981, 0.998564, 0.998980, 0.999274/\n DATA ( BM0IJ( 10, 4,IBETA ), IBETA = 1, 10 ) /\n & 0.992041, 0.992716, 0.994070, 0.995470, 0.996662,\n & 0.997591, 0.998280, 0.998778, 0.999133, 0.999383/\n DATA ( BM0IJ( 10, 5,IBETA ), IBETA = 1, 10 ) /\n & 0.993292, 0.993867, 0.995015, 0.996199, 0.997205,\n & 0.997985, 0.998564, 0.998981, 0.999277, 0.999487/\n DATA ( BM0IJ( 10, 6,IBETA ), IBETA = 1, 10 ) /\n & 0.994411, 0.994894, 0.995857, 0.996847, 0.997685,\n & 0.998334, 0.998814, 0.999159, 0.999404, 0.999577/\n DATA ( BM0IJ( 10, 7,IBETA ), IBETA = 1, 10 ) /\n & 0.995373, 0.995776, 0.996577, 0.997400, 0.998094,\n & 0.998630, 0.999026, 0.999310, 0.999512, 0.999654/\n DATA ( BM0IJ( 10, 8,IBETA ), IBETA = 1, 10 ) /\n & 0.996181, 0.996516, 0.997181, 0.997861, 0.998435,\n & 0.998877, 0.999202, 0.999435, 0.999601, 0.999717/\n DATA ( BM0IJ( 10, 9,IBETA ), IBETA = 1, 10 ) /\n & 0.996851, 0.997128, 0.997680, 0.998242, 0.998715,\n & 0.999079, 0.999346, 0.999538, 0.999673, 0.999769/\n DATA ( BM0IJ( 10, 10,IBETA ), IBETA = 1, 10 ) /\n & 0.997402, 0.997632, 0.998089, 0.998554, 0.998945,\n & 0.999244, 0.999464, 0.999622, 0.999733, 0.999811/\n\nC RPM.... 3rd moment nuclei mode corr. fac. for bimodal FM coag rate\n DATA ( BM3I( 1, 1,IBETA ), IBETA = 1, 10 ) /\n + 0.70708,0.71681,0.73821,0.76477,0.79350,0.82265,0.85090,0.87717,\n + 0.90069,0.92097/\n DATA ( BM3I( 1, 2,IBETA ), IBETA = 1, 10 ) /\n + 0.72172,0.73022,0.74927,0.77324,0.79936,0.82601,0.85199,0.87637,\n + 0.89843,0.91774/\n DATA ( BM3I( 1, 3,IBETA ), IBETA = 1, 10 ) /\n + 0.78291,0.78896,0.80286,0.82070,0.84022,0.85997,0.87901,0.89669,\n + 0.91258,0.92647/\n DATA ( BM3I( 1, 4,IBETA ), IBETA = 1, 10 ) /\n + 0.87760,0.88147,0.89025,0.90127,0.91291,0.92420,0.93452,0.94355,\n + 0.95113,0.95726/\n DATA ( BM3I( 1, 5,IBETA ), IBETA = 1, 10 ) /\n + 0.94988,0.95184,0.95612,0.96122,0.96628,0.97085,0.97467,0.97763,\n + 0.97971,0.98089/\n DATA ( BM3I( 1, 6,IBETA ), IBETA = 1, 10 ) /\n + 0.98318,0.98393,0.98551,0.98728,0.98889,0.99014,0.99095,0.99124,\n + 0.99100,0.99020/\n DATA ( BM3I( 1, 7,IBETA ), IBETA = 1, 10 ) /\n + 0.99480,0.99504,0.99551,0.99598,0.99629,0.99635,0.99611,0.99550,\n + 0.99450,0.99306/\n DATA ( BM3I( 1, 8,IBETA ), IBETA = 1, 10 ) /\n + 0.99842,0.99848,0.99858,0.99861,0.99850,0.99819,0.99762,0.99674,\n + 0.99550,0.99388/\n DATA ( BM3I( 1, 9,IBETA ), IBETA = 1, 10 ) /\n + 0.99951,0.99951,0.99949,0.99939,0.99915,0.99872,0.99805,0.99709,\n + 0.99579,0.99411/\n DATA ( BM3I( 1,10,IBETA ), IBETA = 1, 10 ) /\n + 0.99984,0.99982,0.99976,0.99962,0.99934,0.99888,0.99818,0.99719,\n + 0.99587,0.99417/\n DATA ( BM3I( 2, 1,IBETA ), IBETA = 1, 10 ) /\n + 0.72957,0.73993,0.76303,0.79178,0.82245,0.85270,0.88085,0.90578,\n + 0.92691,0.94415/\n DATA ( BM3I( 2, 2,IBETA ), IBETA = 1, 10 ) /\n + 0.72319,0.73320,0.75547,0.78323,0.81307,0.84287,0.87107,0.89651,\n + 0.91852,0.93683/\n DATA ( BM3I( 2, 3,IBETA ), IBETA = 1, 10 ) /\n + 0.74413,0.75205,0.76998,0.79269,0.81746,0.84258,0.86685,0.88938,\n + 0.90953,0.92695/\n DATA ( BM3I( 2, 4,IBETA ), IBETA = 1, 10 ) /\n + 0.82588,0.83113,0.84309,0.85825,0.87456,0.89072,0.90594,0.91972,\n + 0.93178,0.94203/\n DATA ( BM3I( 2, 5,IBETA ), IBETA = 1, 10 ) /\n + 0.91886,0.92179,0.92831,0.93624,0.94434,0.95192,0.95856,0.96409,\n + 0.96845,0.97164/\n DATA ( BM3I( 2, 6,IBETA ), IBETA = 1, 10 ) /\n + 0.97129,0.97252,0.97515,0.97818,0.98108,0.98354,0.98542,0.98665,\n + 0.98721,0.98709/\n DATA ( BM3I( 2, 7,IBETA ), IBETA = 1, 10 ) /\n + 0.99104,0.99145,0.99230,0.99320,0.99394,0.99439,0.99448,0.99416,\n + 0.99340,0.99217/\n DATA ( BM3I( 2, 8,IBETA ), IBETA = 1, 10 ) /\n + 0.99730,0.99741,0.99763,0.99779,0.99782,0.99762,0.99715,0.99636,\n + 0.99519,0.99363/\n DATA ( BM3I( 2, 9,IBETA ), IBETA = 1, 10 ) /\n + 0.99917,0.99919,0.99921,0.99915,0.99895,0.99856,0.99792,0.99698,\n + 0.99570,0.99404/\n DATA ( BM3I( 2,10,IBETA ), IBETA = 1, 10 ) /\n + 0.99973,0.99973,0.99968,0.99955,0.99928,0.99883,0.99814,0.99716,\n + 0.99584,0.99415/\n DATA ( BM3I( 3, 1,IBETA ), IBETA = 1, 10 ) /\n + 0.78358,0.79304,0.81445,0.84105,0.86873,0.89491,0.91805,0.93743,\n + 0.95300,0.96510/\n DATA ( BM3I( 3, 2,IBETA ), IBETA = 1, 10 ) /\n + 0.76412,0.77404,0.79635,0.82404,0.85312,0.88101,0.90610,0.92751,\n + 0.94500,0.95879/\n DATA ( BM3I( 3, 3,IBETA ), IBETA = 1, 10 ) /\n + 0.74239,0.75182,0.77301,0.79956,0.82809,0.85639,0.88291,0.90658,\n + 0.92683,0.94350/\n DATA ( BM3I( 3, 4,IBETA ), IBETA = 1, 10 ) /\n + 0.78072,0.78758,0.80317,0.82293,0.84437,0.86589,0.88643,0.90526,\n + 0.92194,0.93625/\n DATA ( BM3I( 3, 5,IBETA ), IBETA = 1, 10 ) /\n + 0.87627,0.88044,0.88981,0.90142,0.91357,0.92524,0.93585,0.94510,\n + 0.95285,0.95911/\n DATA ( BM3I( 3, 6,IBETA ), IBETA = 1, 10 ) /\n + 0.95176,0.95371,0.95796,0.96297,0.96792,0.97233,0.97599,0.97880,\n + 0.98072,0.98178/\n DATA ( BM3I( 3, 7,IBETA ), IBETA = 1, 10 ) /\n + 0.98453,0.98523,0.98670,0.98833,0.98980,0.99092,0.99160,0.99179,\n + 0.99145,0.99058/\n DATA ( BM3I( 3, 8,IBETA ), IBETA = 1, 10 ) /\n + 0.99534,0.99555,0.99597,0.99637,0.99662,0.99663,0.99633,0.99569,\n + 0.99465,0.99318/\n DATA ( BM3I( 3, 9,IBETA ), IBETA = 1, 10 ) /\n + 0.99859,0.99864,0.99872,0.99873,0.99860,0.99827,0.99768,0.99679,\n + 0.99555,0.99391/\n DATA ( BM3I( 3,10,IBETA ), IBETA = 1, 10 ) /\n + 0.99956,0.99956,0.99953,0.99942,0.99918,0.99875,0.99807,0.99711,\n + 0.99580,0.99412/\n DATA ( BM3I( 4, 1,IBETA ), IBETA = 1, 10 ) /\n + 0.84432,0.85223,0.86990,0.89131,0.91280,0.93223,0.94861,0.96172,\n + 0.97185,0.97945/\n DATA ( BM3I( 4, 2,IBETA ), IBETA = 1, 10 ) /\n + 0.82299,0.83164,0.85101,0.87463,0.89857,0.92050,0.93923,0.95443,\n + 0.96629,0.97529/\n DATA ( BM3I( 4, 3,IBETA ), IBETA = 1, 10 ) /\n + 0.77870,0.78840,0.81011,0.83690,0.86477,0.89124,0.91476,0.93460,\n + 0.95063,0.96316/\n DATA ( BM3I( 4, 4,IBETA ), IBETA = 1, 10 ) /\n + 0.76386,0.77233,0.79147,0.81557,0.84149,0.86719,0.89126,0.91275,\n + 0.93116,0.94637/\n DATA ( BM3I( 4, 5,IBETA ), IBETA = 1, 10 ) /\n + 0.82927,0.83488,0.84756,0.86346,0.88040,0.89704,0.91257,0.92649,\n + 0.93857,0.94874/\n DATA ( BM3I( 4, 6,IBETA ), IBETA = 1, 10 ) /\n + 0.92184,0.92481,0.93136,0.93925,0.94724,0.95462,0.96104,0.96634,\n + 0.97048,0.97348/\n DATA ( BM3I( 4, 7,IBETA ), IBETA = 1, 10 ) /\n + 0.97341,0.97457,0.97706,0.97991,0.98260,0.98485,0.98654,0.98760,\n + 0.98801,0.98777/\n DATA ( BM3I( 4, 8,IBETA ), IBETA = 1, 10 ) /\n + 0.99192,0.99229,0.99305,0.99385,0.99449,0.99486,0.99487,0.99449,\n + 0.99367,0.99239/\n DATA ( BM3I( 4, 9,IBETA ), IBETA = 1, 10 ) /\n + 0.99758,0.99768,0.99787,0.99800,0.99799,0.99777,0.99727,0.99645,\n + 0.99527,0.99369/\n DATA ( BM3I( 4,10,IBETA ), IBETA = 1, 10 ) /\n + 0.99926,0.99928,0.99928,0.99921,0.99900,0.99860,0.99795,0.99701,\n + 0.99572,0.99405/\n DATA ( BM3I( 5, 1,IBETA ), IBETA = 1, 10 ) /\n + 0.89577,0.90190,0.91522,0.93076,0.94575,0.95876,0.96932,0.97751,\n + 0.98367,0.98820/\n DATA ( BM3I( 5, 2,IBETA ), IBETA = 1, 10 ) /\n + 0.87860,0.88547,0.90052,0.91828,0.93557,0.95075,0.96319,0.97292,\n + 0.98028,0.98572/\n DATA ( BM3I( 5, 3,IBETA ), IBETA = 1, 10 ) /\n + 0.83381,0.84240,0.86141,0.88425,0.90707,0.92770,0.94510,0.95906,\n + 0.96986,0.97798/\n DATA ( BM3I( 5, 4,IBETA ), IBETA = 1, 10 ) /\n + 0.78530,0.79463,0.81550,0.84127,0.86813,0.89367,0.91642,0.93566,\n + 0.95125,0.96347/\n DATA ( BM3I( 5, 5,IBETA ), IBETA = 1, 10 ) /\n + 0.79614,0.80332,0.81957,0.84001,0.86190,0.88351,0.90368,0.92169,\n + 0.93718,0.95006/\n DATA ( BM3I( 5, 6,IBETA ), IBETA = 1, 10 ) /\n + 0.88192,0.88617,0.89565,0.90728,0.91931,0.93076,0.94107,0.94997,\n + 0.95739,0.96333/\n DATA ( BM3I( 5, 7,IBETA ), IBETA = 1, 10 ) /\n + 0.95509,0.95698,0.96105,0.96583,0.97048,0.97460,0.97796,0.98050,\n + 0.98218,0.98304/\n DATA ( BM3I( 5, 8,IBETA ), IBETA = 1, 10 ) /\n + 0.98596,0.98660,0.98794,0.98943,0.99074,0.99172,0.99227,0.99235,\n + 0.99192,0.99096/\n DATA ( BM3I( 5, 9,IBETA ), IBETA = 1, 10 ) /\n + 0.99581,0.99600,0.99637,0.99672,0.99691,0.99687,0.99653,0.99585,\n + 0.99478,0.99329/\n DATA ( BM3I( 5,10,IBETA ), IBETA = 1, 10 ) /\n + 0.99873,0.99878,0.99884,0.99883,0.99869,0.99834,0.99774,0.99684,\n + 0.99558,0.99394/\n DATA ( BM3I( 6, 1,IBETA ), IBETA = 1, 10 ) /\n + 0.93335,0.93777,0.94711,0.95764,0.96741,0.97562,0.98210,0.98701,\n + 0.99064,0.99327/\n DATA ( BM3I( 6, 2,IBETA ), IBETA = 1, 10 ) /\n + 0.92142,0.92646,0.93723,0.94947,0.96096,0.97069,0.97842,0.98431,\n + 0.98868,0.99186/\n DATA ( BM3I( 6, 3,IBETA ), IBETA = 1, 10 ) /\n + 0.88678,0.89351,0.90810,0.92508,0.94138,0.95549,0.96693,0.97578,\n + 0.98243,0.98731/\n DATA ( BM3I( 6, 4,IBETA ), IBETA = 1, 10 ) /\n + 0.83249,0.84124,0.86051,0.88357,0.90655,0.92728,0.94477,0.95880,\n + 0.96964,0.97779/\n DATA ( BM3I( 6, 5,IBETA ), IBETA = 1, 10 ) /\n + 0.79593,0.80444,0.82355,0.84725,0.87211,0.89593,0.91735,0.93566,\n + 0.95066,0.96255/\n DATA ( BM3I( 6, 6,IBETA ), IBETA = 1, 10 ) /\n + 0.84124,0.84695,0.85980,0.87575,0.89256,0.90885,0.92383,0.93704,\n + 0.94830,0.95761/\n DATA ( BM3I( 6, 7,IBETA ), IBETA = 1, 10 ) /\n + 0.92721,0.93011,0.93647,0.94406,0.95166,0.95862,0.96460,0.96949,\n + 0.97326,0.97595/\n DATA ( BM3I( 6, 8,IBETA ), IBETA = 1, 10 ) /\n + 0.97573,0.97681,0.97913,0.98175,0.98421,0.98624,0.98772,0.98860,\n + 0.98885,0.98847/\n DATA ( BM3I( 6, 9,IBETA ), IBETA = 1, 10 ) /\n + 0.99271,0.99304,0.99373,0.99444,0.99499,0.99528,0.99522,0.99477,\n + 0.99390,0.99258/\n DATA ( BM3I( 6,10,IBETA ), IBETA = 1, 10 ) /\n + 0.99782,0.99791,0.99807,0.99817,0.99813,0.99788,0.99737,0.99653,\n + 0.99533,0.99374/\n DATA ( BM3I( 7, 1,IBETA ), IBETA = 1, 10 ) /\n + 0.95858,0.96158,0.96780,0.97460,0.98073,0.98575,0.98963,0.99252,\n + 0.99463,0.99615/\n DATA ( BM3I( 7, 2,IBETA ), IBETA = 1, 10 ) /\n + 0.95091,0.95438,0.96163,0.96962,0.97688,0.98286,0.98751,0.99099,\n + 0.99353,0.99536/\n DATA ( BM3I( 7, 3,IBETA ), IBETA = 1, 10 ) /\n + 0.92751,0.93233,0.94255,0.95406,0.96473,0.97366,0.98070,0.98602,\n + 0.98994,0.99278/\n DATA ( BM3I( 7, 4,IBETA ), IBETA = 1, 10 ) /\n + 0.88371,0.89075,0.90595,0.92351,0.94028,0.95474,0.96642,0.97544,\n + 0.98220,0.98715/\n DATA ( BM3I( 7, 5,IBETA ), IBETA = 1, 10 ) /\n + 0.82880,0.83750,0.85671,0.87980,0.90297,0.92404,0.94195,0.95644,\n + 0.96772,0.97625/\n DATA ( BM3I( 7, 6,IBETA ), IBETA = 1, 10 ) /\n + 0.81933,0.82655,0.84279,0.86295,0.88412,0.90449,0.92295,0.93890,\n + 0.95215,0.96281/\n DATA ( BM3I( 7, 7,IBETA ), IBETA = 1, 10 ) /\n + 0.89099,0.89519,0.90448,0.91577,0.92732,0.93820,0.94789,0.95616,\n + 0.96297,0.96838/\n DATA ( BM3I( 7, 8,IBETA ), IBETA = 1, 10 ) /\n + 0.95886,0.96064,0.96448,0.96894,0.97324,0.97701,0.98004,0.98228,\n + 0.98371,0.98435/\n DATA ( BM3I( 7, 9,IBETA ), IBETA = 1, 10 ) /\n + 0.98727,0.98786,0.98908,0.99043,0.99160,0.99245,0.99288,0.99285,\n + 0.99234,0.99131/\n DATA ( BM3I( 7,10,IBETA ), IBETA = 1, 10 ) /\n + 0.99621,0.99638,0.99671,0.99700,0.99715,0.99707,0.99670,0.99599,\n + 0.99489,0.99338/\n DATA ( BM3I( 8, 1,IBETA ), IBETA = 1, 10 ) /\n + 0.97470,0.97666,0.98064,0.98491,0.98867,0.99169,0.99399,0.99569,\n + 0.99691,0.99779/\n DATA ( BM3I( 8, 2,IBETA ), IBETA = 1, 10 ) /\n + 0.96996,0.97225,0.97693,0.98196,0.98643,0.99003,0.99279,0.99482,\n + 0.99630,0.99735/\n DATA ( BM3I( 8, 3,IBETA ), IBETA = 1, 10 ) /\n + 0.95523,0.95848,0.96522,0.97260,0.97925,0.98468,0.98888,0.99200,\n + 0.99427,0.99590/\n DATA ( BM3I( 8, 4,IBETA ), IBETA = 1, 10 ) /\n + 0.92524,0.93030,0.94098,0.95294,0.96397,0.97317,0.98038,0.98582,\n + 0.98981,0.99270/\n DATA ( BM3I( 8, 5,IBETA ), IBETA = 1, 10 ) /\n + 0.87576,0.88323,0.89935,0.91799,0.93583,0.95126,0.96377,0.97345,\n + 0.98072,0.98606/\n DATA ( BM3I( 8, 6,IBETA ), IBETA = 1, 10 ) /\n + 0.83078,0.83894,0.85705,0.87899,0.90126,0.92179,0.93950,0.95404,\n + 0.96551,0.97430/\n DATA ( BM3I( 8, 7,IBETA ), IBETA = 1, 10 ) /\n + 0.85727,0.86294,0.87558,0.89111,0.90723,0.92260,0.93645,0.94841,\n + 0.95838,0.96643/\n DATA ( BM3I( 8, 8,IBETA ), IBETA = 1, 10 ) /\n + 0.93337,0.93615,0.94220,0.94937,0.95647,0.96292,0.96840,0.97283,\n + 0.97619,0.97854/\n DATA ( BM3I( 8, 9,IBETA ), IBETA = 1, 10 ) /\n + 0.97790,0.97891,0.98105,0.98346,0.98569,0.98751,0.98879,0.98950,\n + 0.98961,0.98912/\n DATA ( BM3I( 8,10,IBETA ), IBETA = 1, 10 ) /\n + 0.99337,0.99367,0.99430,0.99493,0.99541,0.99562,0.99551,0.99501,\n + 0.99410,0.99274/\n DATA ( BM3I( 9, 1,IBETA ), IBETA = 1, 10 ) /\n + 0.98470,0.98594,0.98844,0.99106,0.99334,0.99514,0.99650,0.99749,\n + 0.99821,0.99872/\n DATA ( BM3I( 9, 2,IBETA ), IBETA = 1, 10 ) /\n + 0.98184,0.98330,0.98624,0.98934,0.99205,0.99420,0.99582,0.99701,\n + 0.99787,0.99848/\n DATA ( BM3I( 9, 3,IBETA ), IBETA = 1, 10 ) /\n + 0.97288,0.97498,0.97927,0.98385,0.98789,0.99113,0.99360,0.99541,\n + 0.99673,0.99766/\n DATA ( BM3I( 9, 4,IBETA ), IBETA = 1, 10 ) /\n + 0.95403,0.95741,0.96440,0.97202,0.97887,0.98444,0.98872,0.99190,\n + 0.99421,0.99586/\n DATA ( BM3I( 9, 5,IBETA ), IBETA = 1, 10 ) /\n + 0.91845,0.92399,0.93567,0.94873,0.96076,0.97079,0.97865,0.98457,\n + 0.98892,0.99206/\n DATA ( BM3I( 9, 6,IBETA ), IBETA = 1, 10 ) /\n + 0.86762,0.87533,0.89202,0.91148,0.93027,0.94669,0.96013,0.97062,\n + 0.97855,0.98441/\n DATA ( BM3I( 9, 7,IBETA ), IBETA = 1, 10 ) /\n + 0.84550,0.85253,0.86816,0.88721,0.90671,0.92490,0.94083,0.95413,\n + 0.96481,0.97314/\n DATA ( BM3I( 9, 8,IBETA ), IBETA = 1, 10 ) /\n + 0.90138,0.90544,0.91437,0.92513,0.93602,0.94615,0.95506,0.96258,\n + 0.96868,0.97347/\n DATA ( BM3I( 9, 9,IBETA ), IBETA = 1, 10 ) /\n + 0.96248,0.96415,0.96773,0.97187,0.97583,0.97925,0.98198,0.98394,\n + 0.98514,0.98559/\n DATA ( BM3I( 9,10,IBETA ), IBETA = 1, 10 ) /\n + 0.98837,0.98892,0.99005,0.99127,0.99232,0.99306,0.99339,0.99328,\n + 0.99269,0.99161/\n DATA ( BM3I( 10, 1,IBETA ), IBETA = 1, 10 ) /\n + 0.99080,0.99158,0.99311,0.99471,0.99607,0.99715,0.99795,0.99853,\n + 0.99895,0.99925/\n DATA ( BM3I( 10, 2,IBETA ), IBETA = 1, 10 ) /\n + 0.98910,0.99001,0.99182,0.99371,0.99533,0.99661,0.99757,0.99826,\n + 0.99876,0.99912/\n DATA ( BM3I( 10, 3,IBETA ), IBETA = 1, 10 ) /\n + 0.98374,0.98506,0.98772,0.99051,0.99294,0.99486,0.99630,0.99736,\n + 0.99812,0.99866/\n DATA ( BM3I( 10, 4,IBETA ), IBETA = 1, 10 ) /\n + 0.97238,0.97453,0.97892,0.98361,0.98773,0.99104,0.99354,0.99538,\n + 0.99671,0.99765/\n DATA ( BM3I( 10, 5,IBETA ), IBETA = 1, 10 ) /\n + 0.94961,0.95333,0.96103,0.96941,0.97693,0.98303,0.98772,0.99119,\n + 0.99371,0.99551/\n DATA ( BM3I( 10, 6,IBETA ), IBETA = 1, 10 ) /\n + 0.90943,0.91550,0.92834,0.94275,0.95608,0.96723,0.97600,0.98263,\n + 0.98751,0.99103/\n DATA ( BM3I( 10, 7,IBETA ), IBETA = 1, 10 ) /\n + 0.86454,0.87200,0.88829,0.90749,0.92630,0.94300,0.95687,0.96785,\n + 0.97626,0.98254/\n DATA ( BM3I( 10, 8,IBETA ), IBETA = 1, 10 ) /\n + 0.87498,0.88048,0.89264,0.90737,0.92240,0.93642,0.94877,0.95917,\n + 0.96762,0.97429/\n DATA ( BM3I( 10, 9,IBETA ), IBETA = 1, 10 ) /\n + 0.93946,0.94209,0.94781,0.95452,0.96111,0.96704,0.97203,0.97602,\n + 0.97900,0.98106/\n DATA ( BM3I( 10,10,IBETA ), IBETA = 1, 10 ) /\n + 0.97977,0.98071,0.98270,0.98492,0.98695,0.98858,0.98970,0.99027,\n + 0.99026,0.98968/\n\nC FSB FM correction for INTRAmodal M2 coagulation \n DATA BM2II /\n & 0.707107, 0.720583, 0.745310, 0.748056, 0.696935,\n & 0.604164, 0.504622, 0.416559, 0.343394, 0.283641/\n\nC *** total correction for INTRAmodal M2 coagulation\n DATA BM2IITT /\n & 1.000000, 0.907452, 0.680931, 0.409815, 0.196425,\n & 0.078814, 0.028473, 0.009800, 0.003322, 0.001129/\n\nC FSB FM correction for M2 i to j coagulation\n DATA ( BM2IJ( 1, 1,IBETA ), IBETA = 1, 10 ) /\n & 0.707107, 0.716828, 0.738240, 0.764827, 0.793610,\n & 0.822843, 0.851217, 0.877670, 0.901404, 0.921944/\n DATA ( BM2IJ( 1, 2,IBETA ), IBETA = 1, 10 ) /\n & 0.719180, 0.727975, 0.747638, 0.772334, 0.799234,\n & 0.826666, 0.853406, 0.878482, 0.901162, 0.920987/\n DATA ( BM2IJ( 1, 3,IBETA ), IBETA = 1, 10 ) /\n & 0.760947, 0.767874, 0.783692, 0.803890, 0.826015,\n & 0.848562, 0.870498, 0.891088, 0.909823, 0.926400/\n DATA ( BM2IJ( 1, 4,IBETA ), IBETA = 1, 10 ) /\n & 0.830926, 0.836034, 0.847708, 0.862528, 0.878521,\n & 0.894467, 0.909615, 0.923520, 0.935959, 0.946858/\n DATA ( BM2IJ( 1, 5,IBETA ), IBETA = 1, 10 ) /\n & 0.903643, 0.907035, 0.914641, 0.924017, 0.933795,\n & 0.943194, 0.951806, 0.959449, 0.966087, 0.971761/\n DATA ( BM2IJ( 1, 6,IBETA ), IBETA = 1, 10 ) /\n & 0.954216, 0.956094, 0.960211, 0.965123, 0.970068,\n & 0.974666, 0.978750, 0.982277, 0.985268, 0.987775/\n DATA ( BM2IJ( 1, 7,IBETA ), IBETA = 1, 10 ) /\n & 0.980546, 0.981433, 0.983343, 0.985568, 0.987751,\n & 0.989735, 0.991461, 0.992926, 0.994150, 0.995164/\n DATA ( BM2IJ( 1, 8,IBETA ), IBETA = 1, 10 ) /\n & 0.992142, 0.992524, 0.993338, 0.994272, 0.995174,\n & 0.995981, 0.996675, 0.997257, 0.997740, 0.998137/\n DATA ( BM2IJ( 1, 9,IBETA ), IBETA = 1, 10 ) /\n & 0.996868, 0.997026, 0.997361, 0.997742, 0.998106,\n & 0.998430, 0.998705, 0.998935, 0.999125, 0.999280/\n DATA ( BM2IJ( 1, 10,IBETA ), IBETA = 1, 10 ) /\n & 0.998737, 0.998802, 0.998939, 0.999094, 0.999241,\n & 0.999371, 0.999481, 0.999573, 0.999648, 0.999709/\n DATA ( BM2IJ( 2, 1,IBETA ), IBETA = 1, 10 ) /\n & 0.729600, 0.739948, 0.763059, 0.791817, 0.822510,\n & 0.852795, 0.881000, 0.905999, 0.927206, 0.944532/\n DATA ( BM2IJ( 2, 2,IBETA ), IBETA = 1, 10 ) /\n & 0.727025, 0.737116, 0.759615, 0.787657, 0.817740,\n & 0.847656, 0.875801, 0.901038, 0.922715, 0.940643/\n DATA ( BM2IJ( 2, 3,IBETA ), IBETA = 1, 10 ) /\n & 0.738035, 0.746779, 0.766484, 0.791340, 0.818324,\n & 0.845546, 0.871629, 0.895554, 0.916649, 0.934597/\n DATA ( BM2IJ( 2, 4,IBETA ), IBETA = 1, 10 ) /\n & 0.784185, 0.790883, 0.806132, 0.825501, 0.846545,\n & 0.867745, 0.888085, 0.906881, 0.923705, 0.938349/\n DATA ( BM2IJ( 2, 5,IBETA ), IBETA = 1, 10 ) /\n & 0.857879, 0.862591, 0.873238, 0.886539, 0.900645,\n & 0.914463, 0.927360, 0.939004, 0.949261, 0.958125/\n DATA ( BM2IJ( 2, 6,IBETA ), IBETA = 1, 10 ) /\n & 0.925441, 0.928304, 0.934645, 0.942324, 0.950181,\n & 0.957600, 0.964285, 0.970133, 0.975147, 0.979388/\n DATA ( BM2IJ( 2, 7,IBETA ), IBETA = 1, 10 ) /\n & 0.966728, 0.968176, 0.971323, 0.975027, 0.978705,\n & 0.982080, 0.985044, 0.987578, 0.989710, 0.991485/\n DATA ( BM2IJ( 2, 8,IBETA ), IBETA = 1, 10 ) /\n & 0.986335, 0.986980, 0.988362, 0.989958, 0.991511,\n & 0.992912, 0.994122, 0.995143, 0.995992, 0.996693/\n DATA ( BM2IJ( 2, 9,IBETA ), IBETA = 1, 10 ) /\n & 0.994547, 0.994817, 0.995391, 0.996046, 0.996677,\n & 0.997238, 0.997719, 0.998122, 0.998454, 0.998727/\n DATA ( BM2IJ( 2, 10,IBETA ), IBETA = 1, 10 ) /\n & 0.997817, 0.997928, 0.998163, 0.998429, 0.998683,\n & 0.998908, 0.999099, 0.999258, 0.999389, 0.999497/\n DATA ( BM2IJ( 3, 1,IBETA ), IBETA = 1, 10 ) /\n & 0.783612, 0.793055, 0.814468, 0.841073, 0.868769,\n & 0.894963, 0.918118, 0.937527, 0.953121, 0.965244/\n DATA ( BM2IJ( 3, 2,IBETA ), IBETA = 1, 10 ) /\n & 0.772083, 0.781870, 0.803911, 0.831238, 0.859802,\n & 0.887036, 0.911349, 0.931941, 0.948649, 0.961751/\n DATA ( BM2IJ( 3, 3,IBETA ), IBETA = 1, 10 ) /\n & 0.755766, 0.765509, 0.787380, 0.814630, 0.843526,\n & 0.871670, 0.897443, 0.919870, 0.938557, 0.953576/\n DATA ( BM2IJ( 3, 4,IBETA ), IBETA = 1, 10 ) /\n & 0.763816, 0.772145, 0.790997, 0.814784, 0.840434,\n & 0.865978, 0.890034, 0.911671, 0.930366, 0.945963/\n DATA ( BM2IJ( 3, 5,IBETA ), IBETA = 1, 10 ) /\n & 0.813597, 0.819809, 0.833889, 0.851618, 0.870640,\n & 0.889514, 0.907326, 0.923510, 0.937768, 0.950003/\n DATA ( BM2IJ( 3, 6,IBETA ), IBETA = 1, 10 ) /\n & 0.886317, 0.890437, 0.899643, 0.910955, 0.922730,\n & 0.934048, 0.944422, 0.953632, 0.961624, 0.968444/\n DATA ( BM2IJ( 3, 7,IBETA ), IBETA = 1, 10 ) /\n & 0.944565, 0.946855, 0.951872, 0.957854, 0.963873,\n & 0.969468, 0.974438, 0.978731, 0.982372, 0.985424/\n DATA ( BM2IJ( 3, 8,IBETA ), IBETA = 1, 10 ) /\n & 0.976358, 0.977435, 0.979759, 0.982467, 0.985125,\n & 0.987540, 0.989642, 0.991425, 0.992916, 0.994150/\n DATA ( BM2IJ( 3, 9,IBETA ), IBETA = 1, 10 ) /\n & 0.990471, 0.990932, 0.991917, 0.993048, 0.994142,\n & 0.995121, 0.995964, 0.996671, 0.997258, 0.997740/\n DATA ( BM2IJ( 3, 10,IBETA ), IBETA = 1, 10 ) /\n & 0.996199, 0.996389, 0.996794, 0.997254, 0.997694,\n & 0.998086, 0.998420, 0.998699, 0.998929, 0.999117/\n DATA ( BM2IJ( 4, 1,IBETA ), IBETA = 1, 10 ) /\n & 0.844355, 0.852251, 0.869914, 0.891330, 0.912823,\n & 0.932259, 0.948642, 0.961767, 0.971897, 0.979510/\n DATA ( BM2IJ( 4, 2,IBETA ), IBETA = 1, 10 ) /\n & 0.831550, 0.839954, 0.858754, 0.881583, 0.904592,\n & 0.925533, 0.943309, 0.957647, 0.968779, 0.977185/\n DATA ( BM2IJ( 4, 3,IBETA ), IBETA = 1, 10 ) /\n & 0.803981, 0.813288, 0.834060, 0.859400, 0.885285,\n & 0.909286, 0.930084, 0.947193, 0.960714, 0.971078/\n DATA ( BM2IJ( 4, 4,IBETA ), IBETA = 1, 10 ) /\n & 0.781787, 0.791080, 0.811931, 0.837749, 0.864768,\n & 0.890603, 0.913761, 0.933477, 0.949567, 0.962261/\n DATA ( BM2IJ( 4, 5,IBETA ), IBETA = 1, 10 ) /\n & 0.791591, 0.799355, 0.816916, 0.838961, 0.862492,\n & 0.885595, 0.907003, 0.925942, 0.942052, 0.955310/\n DATA ( BM2IJ( 4, 6,IBETA ), IBETA = 1, 10 ) /\n & 0.844933, 0.850499, 0.863022, 0.878593, 0.895038,\n & 0.911072, 0.925939, 0.939227, 0.950765, 0.960550/\n DATA ( BM2IJ( 4, 7,IBETA ), IBETA = 1, 10 ) /\n & 0.912591, 0.916022, 0.923607, 0.932777, 0.942151,\n & 0.951001, 0.958976, 0.965950, 0.971924, 0.976965/\n DATA ( BM2IJ( 4, 8,IBETA ), IBETA = 1, 10 ) /\n & 0.959859, 0.961617, 0.965433, 0.969924, 0.974382,\n & 0.978472, 0.982063, 0.985134, 0.987716, 0.989865/\n DATA ( BM2IJ( 4, 9,IBETA ), IBETA = 1, 10 ) /\n & 0.983377, 0.984162, 0.985844, 0.987788, 0.989681,\n & 0.991386, 0.992860, 0.994104, 0.995139, 0.995991/\n DATA ( BM2IJ( 4, 10,IBETA ), IBETA = 1, 10 ) /\n & 0.993343, 0.993672, 0.994370, 0.995169, 0.995937,\n & 0.996622, 0.997209, 0.997700, 0.998106, 0.998439/\n DATA ( BM2IJ( 5, 1,IBETA ), IBETA = 1, 10 ) /\n & 0.895806, 0.901918, 0.915233, 0.930783, 0.945768,\n & 0.958781, 0.969347, 0.977540, 0.983697, 0.988225/\n DATA ( BM2IJ( 5, 2,IBETA ), IBETA = 1, 10 ) /\n & 0.885634, 0.892221, 0.906629, 0.923540, 0.939918,\n & 0.954213, 0.965873, 0.974951, 0.981794, 0.986840/\n DATA ( BM2IJ( 5, 3,IBETA ), IBETA = 1, 10 ) /\n & 0.860120, 0.867858, 0.884865, 0.904996, 0.924724,\n & 0.942177, 0.956602, 0.967966, 0.976616, 0.983043/\n DATA ( BM2IJ( 5, 4,IBETA ), IBETA = 1, 10 ) /\n & 0.827462, 0.836317, 0.855885, 0.879377, 0.902897,\n & 0.924232, 0.942318, 0.956900, 0.968222, 0.976774/\n DATA ( BM2IJ( 5, 5,IBETA ), IBETA = 1, 10 ) /\n & 0.805527, 0.814279, 0.833853, 0.857892, 0.882726,\n & 0.906095, 0.926690, 0.943938, 0.957808, 0.968615/\n DATA ( BM2IJ( 5, 6,IBETA ), IBETA = 1, 10 ) /\n & 0.820143, 0.827223, 0.843166, 0.863002, 0.883905,\n & 0.904128, 0.922585, 0.938687, 0.952222, 0.963255/\n DATA ( BM2IJ( 5, 7,IBETA ), IBETA = 1, 10 ) /\n & 0.875399, 0.880208, 0.890929, 0.904065, 0.917699,\n & 0.930756, 0.942656, 0.953131, 0.962113, 0.969657/\n DATA ( BM2IJ( 5, 8,IBETA ), IBETA = 1, 10 ) /\n & 0.934782, 0.937520, 0.943515, 0.950656, 0.957840,\n & 0.964516, 0.970446, 0.975566, 0.979905, 0.983534/\n DATA ( BM2IJ( 5, 9,IBETA ), IBETA = 1, 10 ) /\n & 0.971369, 0.972679, 0.975505, 0.978797, 0.982029,\n & 0.984964, 0.987518, 0.989685, 0.991496, 0.992994/\n DATA ( BM2IJ( 5, 10,IBETA ), IBETA = 1, 10 ) /\n & 0.988329, 0.988893, 0.990099, 0.991485, 0.992825,\n & 0.994025, 0.995058, 0.995925, 0.996643, 0.997234/\n DATA ( BM2IJ( 6, 1,IBETA ), IBETA = 1, 10 ) /\n & 0.933384, 0.937784, 0.947130, 0.957655, 0.967430,\n & 0.975639, 0.982119, 0.987031, 0.990657, 0.993288/\n DATA ( BM2IJ( 6, 2,IBETA ), IBETA = 1, 10 ) /\n & 0.926445, 0.931227, 0.941426, 0.952975, 0.963754,\n & 0.972845, 0.980044, 0.985514, 0.989558, 0.992498/\n DATA ( BM2IJ( 6, 3,IBETA ), IBETA = 1, 10 ) /\n & 0.907835, 0.913621, 0.926064, 0.940308, 0.953745,\n & 0.965189, 0.974327, 0.981316, 0.986510, 0.990297/\n DATA ( BM2IJ( 6, 4,IBETA ), IBETA = 1, 10 ) /\n & 0.879088, 0.886306, 0.901945, 0.920079, 0.937460,\n & 0.952509, 0.964711, 0.974166, 0.981265, 0.986484/\n DATA ( BM2IJ( 6, 5,IBETA ), IBETA = 1, 10 ) /\n & 0.846500, 0.854862, 0.873189, 0.894891, 0.916264,\n & 0.935315, 0.951197, 0.963812, 0.973484, 0.980715/\n DATA ( BM2IJ( 6, 6,IBETA ), IBETA = 1, 10 ) /\n & 0.828137, 0.836250, 0.854310, 0.876287, 0.898710,\n & 0.919518, 0.937603, 0.952560, 0.964461, 0.973656/\n DATA ( BM2IJ( 6, 7,IBETA ), IBETA = 1, 10 ) /\n & 0.848595, 0.854886, 0.868957, 0.886262, 0.904241,\n & 0.921376, 0.936799, 0.950096, 0.961172, 0.970145/\n DATA ( BM2IJ( 6, 8,IBETA ), IBETA = 1, 10 ) /\n & 0.902919, 0.906922, 0.915760, 0.926427, 0.937312,\n & 0.947561, 0.956758, 0.964747, 0.971525, 0.977175/\n DATA ( BM2IJ( 6, 9,IBETA ), IBETA = 1, 10 ) /\n & 0.952320, 0.954434, 0.959021, 0.964418, 0.969774,\n & 0.974688, 0.979003, 0.982690, 0.985789, 0.988364/\n DATA ( BM2IJ( 6, 10,IBETA ), IBETA = 1, 10 ) /\n & 0.979689, 0.980650, 0.982712, 0.985093, 0.987413,\n & 0.989502, 0.991308, 0.992831, 0.994098, 0.995142/\n DATA ( BM2IJ( 7, 1,IBETA ), IBETA = 1, 10 ) /\n & 0.958611, 0.961598, 0.967817, 0.974620, 0.980752,\n & 0.985771, 0.989650, 0.992543, 0.994653, 0.996171/\n DATA ( BM2IJ( 7, 2,IBETA ), IBETA = 1, 10 ) /\n & 0.954225, 0.957488, 0.964305, 0.971795, 0.978576,\n & 0.984144, 0.988458, 0.991681, 0.994034, 0.995728/\n DATA ( BM2IJ( 7, 3,IBETA ), IBETA = 1, 10 ) /\n & 0.942147, 0.946158, 0.954599, 0.963967, 0.972529,\n & 0.979612, 0.985131, 0.989271, 0.992301, 0.994487/\n DATA ( BM2IJ( 7, 4,IBETA ), IBETA = 1, 10 ) /\n & 0.921821, 0.927048, 0.938140, 0.950598, 0.962118,\n & 0.971752, 0.979326, 0.985046, 0.989254, 0.992299/\n DATA ( BM2IJ( 7, 5,IBETA ), IBETA = 1, 10 ) /\n & 0.893419, 0.900158, 0.914598, 0.931070, 0.946584,\n & 0.959795, 0.970350, 0.978427, 0.984432, 0.988811/\n DATA ( BM2IJ( 7, 6,IBETA ), IBETA = 1, 10 ) /\n & 0.863302, 0.871111, 0.888103, 0.907990, 0.927305,\n & 0.944279, 0.958245, 0.969211, 0.977540, 0.983720/\n DATA ( BM2IJ( 7, 7,IBETA ), IBETA = 1, 10 ) /\n & 0.850182, 0.857560, 0.873890, 0.893568, 0.913408,\n & 0.931591, 0.947216, 0.960014, 0.970121, 0.977886/\n DATA ( BM2IJ( 7, 8,IBETA ), IBETA = 1, 10 ) /\n & 0.875837, 0.881265, 0.893310, 0.907936, 0.922910,\n & 0.936977, 0.949480, 0.960154, 0.968985, 0.976111/\n DATA ( BM2IJ( 7, 9,IBETA ), IBETA = 1, 10 ) /\n & 0.926228, 0.929445, 0.936486, 0.944868, 0.953293,\n & 0.961108, 0.968028, 0.973973, 0.978974, 0.983118/\n DATA ( BM2IJ( 7, 10,IBETA ), IBETA = 1, 10 ) /\n & 0.965533, 0.967125, 0.970558, 0.974557, 0.978484,\n & 0.982050, 0.985153, 0.987785, 0.989982, 0.991798/\n DATA ( BM2IJ( 8, 1,IBETA ), IBETA = 1, 10 ) /\n & 0.974731, 0.976674, 0.980660, 0.984926, 0.988689,\n & 0.991710, 0.994009, 0.995703, 0.996929, 0.997805/\n DATA ( BM2IJ( 8, 2,IBETA ), IBETA = 1, 10 ) /\n & 0.972062, 0.974192, 0.978571, 0.983273, 0.987432,\n & 0.990780, 0.993333, 0.995218, 0.996581, 0.997557/\n DATA ( BM2IJ( 8, 3,IBETA ), IBETA = 1, 10 ) /\n & 0.964662, 0.967300, 0.972755, 0.978659, 0.983921,\n & 0.988181, 0.991444, 0.993859, 0.995610, 0.996863/\n DATA ( BM2IJ( 8, 4,IBETA ), IBETA = 1, 10 ) /\n & 0.951782, 0.955284, 0.962581, 0.970559, 0.977737,\n & 0.983593, 0.988103, 0.991454, 0.993889, 0.995635/\n DATA ( BM2IJ( 8, 5,IBETA ), IBETA = 1, 10 ) /\n & 0.931947, 0.936723, 0.946751, 0.957843, 0.967942,\n & 0.976267, 0.982734, 0.987571, 0.991102, 0.993642/\n DATA ( BM2IJ( 8, 6,IBETA ), IBETA = 1, 10 ) /\n & 0.905410, 0.911665, 0.924950, 0.939908, 0.953798,\n & 0.965469, 0.974684, 0.981669, 0.986821, 0.990556/\n DATA ( BM2IJ( 8, 7,IBETA ), IBETA = 1, 10 ) /\n & 0.878941, 0.886132, 0.901679, 0.919688, 0.936970,\n & 0.951980, 0.964199, 0.973709, 0.980881, 0.986174/\n DATA ( BM2IJ( 8, 8,IBETA ), IBETA = 1, 10 ) /\n & 0.871653, 0.878218, 0.892652, 0.909871, 0.927034,\n & 0.942592, 0.955836, 0.966604, 0.975065, 0.981545/\n DATA ( BM2IJ( 8, 9,IBETA ), IBETA = 1, 10 ) /\n & 0.900693, 0.905239, 0.915242, 0.927232, 0.939335,\n & 0.950555, 0.960420, 0.968774, 0.975651, 0.981188/\n DATA ( BM2IJ( 8, 10,IBETA ), IBETA = 1, 10 ) /\n & 0.944922, 0.947435, 0.952894, 0.959317, 0.965689,\n & 0.971529, 0.976645, 0.981001, 0.984641, 0.987642/\n DATA ( BM2IJ( 9, 1,IBETA ), IBETA = 1, 10 ) /\n & 0.984736, 0.985963, 0.988453, 0.991078, 0.993357,\n & 0.995161, 0.996519, 0.997512, 0.998226, 0.998734/\n DATA ( BM2IJ( 9, 2,IBETA ), IBETA = 1, 10 ) /\n & 0.983141, 0.984488, 0.987227, 0.990119, 0.992636,\n & 0.994632, 0.996137, 0.997238, 0.998030, 0.998595/\n DATA ( BM2IJ( 9, 3,IBETA ), IBETA = 1, 10 ) /\n & 0.978726, 0.980401, 0.983819, 0.987450, 0.990626,\n & 0.993157, 0.995071, 0.996475, 0.997486, 0.998206/\n DATA ( BM2IJ( 9, 4,IBETA ), IBETA = 1, 10 ) /\n & 0.970986, 0.973224, 0.977818, 0.982737, 0.987072,\n & 0.990546, 0.993184, 0.995124, 0.996523, 0.997521/\n DATA ( BM2IJ( 9, 5,IBETA ), IBETA = 1, 10 ) /\n & 0.958579, 0.961700, 0.968149, 0.975116, 0.981307,\n & 0.986301, 0.990112, 0.992923, 0.994954, 0.996404/\n DATA ( BM2IJ( 9, 6,IBETA ), IBETA = 1, 10 ) /\n & 0.940111, 0.944479, 0.953572, 0.963506, 0.972436,\n & 0.979714, 0.985313, 0.989468, 0.992483, 0.994641/\n DATA ( BM2IJ( 9, 7,IBETA ), IBETA = 1, 10 ) /\n & 0.916127, 0.921878, 0.934003, 0.947506, 0.959899,\n & 0.970199, 0.978255, 0.984314, 0.988755, 0.991960/\n DATA ( BM2IJ( 9, 8,IBETA ), IBETA = 1, 10 ) /\n & 0.893848, 0.900364, 0.914368, 0.930438, 0.945700,\n & 0.958824, 0.969416, 0.977603, 0.983746, 0.988262/\n DATA ( BM2IJ( 9, 9,IBETA ), IBETA = 1, 10 ) /\n & 0.892161, 0.897863, 0.910315, 0.925021, 0.939523,\n & 0.952544, 0.963544, 0.972442, 0.979411, 0.984742/\n DATA ( BM2IJ( 9, 10,IBETA ), IBETA = 1, 10 ) /\n & 0.922260, 0.925966, 0.934047, 0.943616, 0.953152,\n & 0.961893, 0.969506, 0.975912, 0.981167, 0.985394/\n DATA ( BM2IJ( 10, 1,IBETA ), IBETA = 1, 10 ) /\n & 0.990838, 0.991598, 0.993128, 0.994723, 0.996092,\n & 0.997167, 0.997969, 0.998552, 0.998969, 0.999265/\n DATA ( BM2IJ( 10, 2,IBETA ), IBETA = 1, 10 ) /\n & 0.989892, 0.990727, 0.992411, 0.994167, 0.995678,\n & 0.996864, 0.997751, 0.998396, 0.998858, 0.999186/\n DATA ( BM2IJ( 10, 3,IBETA ), IBETA = 1, 10 ) /\n & 0.987287, 0.988327, 0.990428, 0.992629, 0.994529,\n & 0.996026, 0.997148, 0.997965, 0.998551, 0.998967/\n DATA ( BM2IJ( 10, 4,IBETA ), IBETA = 1, 10 ) /\n & 0.982740, 0.984130, 0.986952, 0.989926, 0.992508,\n & 0.994551, 0.996087, 0.997208, 0.998012, 0.998584/\n DATA ( BM2IJ( 10, 5,IBETA ), IBETA = 1, 10 ) /\n & 0.975380, 0.977330, 0.981307, 0.985529, 0.989216,\n & 0.992147, 0.994358, 0.995975, 0.997136, 0.997961/\n DATA ( BM2IJ( 10, 6,IBETA ), IBETA = 1, 10 ) /\n & 0.963911, 0.966714, 0.972465, 0.978614, 0.984022,\n & 0.988346, 0.991620, 0.994020, 0.995747, 0.996974/\n DATA ( BM2IJ( 10, 7,IBETA ), IBETA = 1, 10 ) /\n & 0.947187, 0.951161, 0.959375, 0.968258, 0.976160,\n & 0.982540, 0.987409, 0.991000, 0.993592, 0.995441/\n DATA ( BM2IJ( 10, 8,IBETA ), IBETA = 1, 10 ) /\n & 0.926045, 0.931270, 0.942218, 0.954297, 0.965273,\n & 0.974311, 0.981326, 0.986569, 0.990394, 0.993143/\n DATA ( BM2IJ( 10, 9,IBETA ), IBETA = 1, 10 ) /\n & 0.908092, 0.913891, 0.926288, 0.940393, 0.953667,\n & 0.964987, 0.974061, 0.981038, 0.986253, 0.990078/\n DATA ( BM2IJ( 10, 10,IBETA ), IBETA = 1, 10 ) /\n & 0.911143, 0.915972, 0.926455, 0.938721, 0.950701,\n & 0.961370, 0.970329, 0.977549, 0.983197, 0.987518/\n\nC FSB Total correction factor for M2 coagulation j from i\n\n DATA ( BM2JI( 1, 1,IBETA ), IBETA = 1, 10 ) /\n & 0.753466, 0.756888, 0.761008, 0.759432, 0.748675,\n & 0.726951, 0.693964, 0.650915, 0.600227, 0.545000/\n DATA ( BM2JI( 1, 2,IBETA ), IBETA = 1, 10 ) /\n & 0.824078, 0.828698, 0.835988, 0.838943, 0.833454,\n & 0.817148, 0.789149, 0.750088, 0.701887, 0.647308/\n DATA ( BM2JI( 1, 3,IBETA ), IBETA = 1, 10 ) /\n & 1.007389, 1.014362, 1.028151, 1.041011, 1.047939,\n & 1.045707, 1.032524, 1.007903, 0.972463, 0.927667/\n DATA ( BM2JI( 1, 4,IBETA ), IBETA = 1, 10 ) /\n & 1.246157, 1.255135, 1.274249, 1.295351, 1.313362,\n & 1.325187, 1.329136, 1.324491, 1.311164, 1.289459/\n DATA ( BM2JI( 1, 5,IBETA ), IBETA = 1, 10 ) /\n & 1.450823, 1.459551, 1.478182, 1.499143, 1.518224,\n & 1.533312, 1.543577, 1.548882, 1.549395, 1.545364/\n DATA ( BM2JI( 1, 6,IBETA ), IBETA = 1, 10 ) /\n & 1.575248, 1.581832, 1.595643, 1.610866, 1.624601,\n & 1.635690, 1.643913, 1.649470, 1.652688, 1.653878/\n DATA ( BM2JI( 1, 7,IBETA ), IBETA = 1, 10 ) /\n & 1.638426, 1.642626, 1.651293, 1.660641, 1.668926,\n & 1.675571, 1.680572, 1.684147, 1.686561, 1.688047/\n DATA ( BM2JI( 1, 8,IBETA ), IBETA = 1, 10 ) /\n & 1.669996, 1.672392, 1.677283, 1.682480, 1.687028,\n & 1.690651, 1.693384, 1.695372, 1.696776, 1.697734/\n DATA ( BM2JI( 1, 9,IBETA ), IBETA = 1, 10 ) /\n & 1.686148, 1.687419, 1.689993, 1.692704, 1.695057,\n & 1.696922, 1.698329, 1.699359, 1.700099, 1.700621/\n DATA ( BM2JI( 1,10,IBETA ), IBETA = 1, 10 ) /\n & 1.694364, 1.695010, 1.696313, 1.697676, 1.698853,\n & 1.699782, 1.700482, 1.700996, 1.701366, 1.701631/\n DATA ( BM2JI( 2, 1,IBETA ), IBETA = 1, 10 ) /\n & 0.783166, 0.779369, 0.768044, 0.747572, 0.716709,\n & 0.675422, 0.624981, 0.567811, 0.507057, 0.445975/\n DATA ( BM2JI( 2, 2,IBETA ), IBETA = 1, 10 ) /\n & 0.848390, 0.847100, 0.840874, 0.826065, 0.800296,\n & 0.762625, 0.713655, 0.655545, 0.591603, 0.525571/\n DATA ( BM2JI( 2, 3,IBETA ), IBETA = 1, 10 ) /\n & 1.039894, 1.043786, 1.049445, 1.049664, 1.039407,\n & 1.015322, 0.975983, 0.922180, 0.856713, 0.783634/\n DATA ( BM2JI( 2, 4,IBETA ), IBETA = 1, 10 ) /\n & 1.345995, 1.356064, 1.376947, 1.398304, 1.412685,\n & 1.414611, 1.400652, 1.369595, 1.322261, 1.260993/\n DATA ( BM2JI( 2, 5,IBETA ), IBETA = 1, 10 ) /\n & 1.675575, 1.689859, 1.720957, 1.756659, 1.788976,\n & 1.812679, 1.824773, 1.824024, 1.810412, 1.784630/\n DATA ( BM2JI( 2, 6,IBETA ), IBETA = 1, 10 ) /\n & 1.919835, 1.933483, 1.962973, 1.996810, 2.028377,\n & 2.054172, 2.072763, 2.083963, 2.088190, 2.086052/\n DATA ( BM2JI( 2, 7,IBETA ), IBETA = 1, 10 ) /\n & 2.064139, 2.074105, 2.095233, 2.118909, 2.140688,\n & 2.158661, 2.172373, 2.182087, 2.188330, 2.191650/\n DATA ( BM2JI( 2, 8,IBETA ), IBETA = 1, 10 ) /\n & 2.144871, 2.150990, 2.163748, 2.177731, 2.190364,\n & 2.200712, 2.208687, 2.214563, 2.218716, 2.221502/\n DATA ( BM2JI( 2, 9,IBETA ), IBETA = 1, 10 ) /\n & 2.189223, 2.192595, 2.199540, 2.207033, 2.213706,\n & 2.219125, 2.223297, 2.226403, 2.228660, 2.230265/\n DATA ( BM2JI( 2,10,IBETA ), IBETA = 1, 10 ) /\n & 2.212595, 2.214342, 2.217912, 2.221723, 2.225082,\n & 2.227791, 2.229869, 2.231417, 2.232551, 2.233372/\n DATA ( BM2JI( 3, 1,IBETA ), IBETA = 1, 10 ) /\n & 0.837870, 0.824476, 0.793119, 0.750739, 0.700950,\n & 0.646691, 0.590508, 0.534354, 0.479532, 0.426856/\n DATA ( BM2JI( 3, 2,IBETA ), IBETA = 1, 10 ) /\n & 0.896771, 0.885847, 0.859327, 0.821694, 0.775312,\n & 0.722402, 0.665196, 0.605731, 0.545742, 0.486687/\n DATA ( BM2JI( 3, 3,IBETA ), IBETA = 1, 10 ) /\n & 1.076089, 1.071727, 1.058845, 1.036171, 1.002539,\n & 0.957521, 0.901640, 0.836481, 0.764597, 0.689151/\n DATA ( BM2JI( 3, 4,IBETA ), IBETA = 1, 10 ) /\n & 1.409571, 1.415168, 1.425346, 1.432021, 1.428632,\n & 1.409696, 1.371485, 1.312958, 1.236092, 1.145293/\n DATA ( BM2JI( 3, 5,IBETA ), IBETA = 1, 10 ) /\n & 1.862757, 1.880031, 1.918394, 1.963456, 2.004070,\n & 2.030730, 2.036144, 2.016159, 1.970059, 1.900079/\n DATA ( BM2JI( 3, 6,IBETA ), IBETA = 1, 10 ) /\n & 2.289741, 2.313465, 2.366789, 2.431612, 2.495597,\n & 2.549838, 2.588523, 2.608665, 2.609488, 2.591662/\n DATA ( BM2JI( 3, 7,IBETA ), IBETA = 1, 10 ) /\n & 2.597157, 2.618731, 2.666255, 2.722597, 2.777531,\n & 2.825187, 2.862794, 2.889648, 2.906199, 2.913380/\n DATA ( BM2JI( 3, 8,IBETA ), IBETA = 1, 10 ) /\n & 2.797975, 2.813116, 2.845666, 2.882976, 2.918289,\n & 2.948461, 2.972524, 2.990687, 3.003664, 3.012284/\n DATA ( BM2JI( 3, 9,IBETA ), IBETA = 1, 10 ) /\n & 2.920832, 2.929843, 2.948848, 2.970057, 2.989632,\n & 3.006057, 3.019067, 3.028979, 3.036307, 3.041574/\n DATA ( BM2JI( 3,10,IBETA ), IBETA = 1, 10 ) /\n & 2.989627, 2.994491, 3.004620, 3.015720, 3.025789,\n & 3.034121, 3.040664, 3.045641, 3.049347, 3.052066/\n DATA ( BM2JI( 4, 1,IBETA ), IBETA = 1, 10 ) /\n & 0.893179, 0.870897, 0.820996, 0.759486, 0.695488,\n & 0.634582, 0.579818, 0.532143, 0.490927, 0.454618/\n DATA ( BM2JI( 4, 2,IBETA ), IBETA = 1, 10 ) /\n & 0.948355, 0.927427, 0.880215, 0.821146, 0.758524,\n & 0.697680, 0.641689, 0.591605, 0.546919, 0.506208/\n DATA ( BM2JI( 4, 3,IBETA ), IBETA = 1, 10 ) /\n & 1.109562, 1.093648, 1.056438, 1.007310, 0.951960,\n & 0.894453, 0.837364, 0.781742, 0.727415, 0.673614/\n DATA ( BM2JI( 4, 4,IBETA ), IBETA = 1, 10 ) /\n & 1.423321, 1.417557, 1.402442, 1.379079, 1.347687,\n & 1.308075, 1.259703, 1.201983, 1.134778, 1.058878/\n DATA ( BM2JI( 4, 5,IBETA ), IBETA = 1, 10 ) /\n & 1.933434, 1.944347, 1.968765, 1.997653, 2.023054,\n & 2.036554, 2.029949, 1.996982, 1.934982, 1.845473/\n DATA ( BM2JI( 4, 6,IBETA ), IBETA = 1, 10 ) /\n & 2.547772, 2.577105, 2.645918, 2.735407, 2.830691,\n & 2.917268, 2.981724, 3.013684, 3.007302, 2.961560/\n DATA ( BM2JI( 4, 7,IBETA ), IBETA = 1, 10 ) /\n & 3.101817, 3.139271, 3.225851, 3.336402, 3.453409,\n & 3.563116, 3.655406, 3.724014, 3.766113, 3.781394/\n DATA ( BM2JI( 4, 8,IBETA ), IBETA = 1, 10 ) /\n & 3.540920, 3.573780, 3.647439, 3.737365, 3.828468,\n & 3.911436, 3.981317, 4.036345, 4.076749, 4.103751/\n DATA ( BM2JI( 4, 9,IBETA ), IBETA = 1, 10 ) /\n & 3.856771, 3.879363, 3.928579, 3.986207, 4.042173,\n & 4.091411, 4.132041, 4.164052, 4.188343, 4.206118/\n DATA ( BM2JI( 4,10,IBETA ), IBETA = 1, 10 ) /\n & 4.053923, 4.067191, 4.095509, 4.127698, 4.158037,\n & 4.184055, 4.205135, 4.221592, 4.234115, 4.243463/\n DATA ( BM2JI( 5, 1,IBETA ), IBETA = 1, 10 ) /\n & 0.935846, 0.906814, 0.843358, 0.768710, 0.695885,\n & 0.631742, 0.579166, 0.538471, 0.508410, 0.486863/\n DATA ( BM2JI( 5, 2,IBETA ), IBETA = 1, 10 ) /\n & 0.988308, 0.959524, 0.896482, 0.821986, 0.748887,\n & 0.684168, 0.630908, 0.589516, 0.558676, 0.536056/\n DATA ( BM2JI( 5, 3,IBETA ), IBETA = 1, 10 ) /\n & 1.133795, 1.107139, 1.048168, 0.977258, 0.906341,\n & 0.842477, 0.789093, 0.746731, 0.713822, 0.687495/\n DATA ( BM2JI( 5, 4,IBETA ), IBETA = 1, 10 ) /\n & 1.405692, 1.385781, 1.340706, 1.284776, 1.227085,\n & 1.173532, 1.127008, 1.087509, 1.052712, 1.018960/\n DATA ( BM2JI( 5, 5,IBETA ), IBETA = 1, 10 ) /\n & 1.884992, 1.879859, 1.868463, 1.854995, 1.841946,\n & 1.829867, 1.816972, 1.799319, 1.771754, 1.729406/\n DATA ( BM2JI( 5, 6,IBETA ), IBETA = 1, 10 ) /\n & 2.592275, 2.612268, 2.661698, 2.731803, 2.815139,\n & 2.901659, 2.978389, 3.031259, 3.048045, 3.021122/\n DATA ( BM2JI( 5, 7,IBETA ), IBETA = 1, 10 ) /\n & 3.390321, 3.435519, 3.545615, 3.698419, 3.876958,\n & 4.062790, 4.236125, 4.378488, 4.475619, 4.519170/\n DATA ( BM2JI( 5, 8,IBETA ), IBETA = 1, 10 ) /\n & 4.161376, 4.216558, 4.346896, 4.519451, 4.711107,\n & 4.902416, 5.077701, 5.226048, 5.341423, 5.421764/\n DATA ( BM2JI( 5, 9,IBETA ), IBETA = 1, 10 ) /\n & 4.843961, 4.892035, 5.001492, 5.138515, 5.281684,\n & 5.416805, 5.535493, 5.634050, 5.712063, 5.770996/\n DATA ( BM2JI( 5,10,IBETA ), IBETA = 1, 10 ) /\n & 5.352093, 5.385119, 5.458056, 5.545311, 5.632162,\n & 5.710566, 5.777005, 5.830863, 5.873123, 5.905442/\n DATA ( BM2JI( 6, 1,IBETA ), IBETA = 1, 10 ) /\n & 0.964038, 0.930794, 0.859433, 0.777776, 0.700566,\n & 0.634671, 0.582396, 0.543656, 0.517284, 0.501694/\n DATA ( BM2JI( 6, 2,IBETA ), IBETA = 1, 10 ) /\n & 1.013416, 0.979685, 0.907197, 0.824135, 0.745552,\n & 0.678616, 0.625870, 0.587348, 0.561864, 0.547674/\n DATA ( BM2JI( 6, 3,IBETA ), IBETA = 1, 10 ) /\n & 1.145452, 1.111457, 1.038152, 0.953750, 0.873724,\n & 0.805955, 0.753621, 0.717052, 0.694920, 0.684910/\n DATA ( BM2JI( 6, 4,IBETA ), IBETA = 1, 10 ) /\n & 1.376547, 1.345004, 1.276415, 1.196704, 1.121091,\n & 1.058249, 1.012197, 0.983522, 0.970323, 0.968933/\n DATA ( BM2JI( 6, 5,IBETA ), IBETA = 1, 10 ) /\n & 1.778801, 1.755897, 1.706074, 1.649008, 1.597602,\n & 1.560087, 1.540365, 1.538205, 1.549738, 1.568333/\n DATA ( BM2JI( 6, 6,IBETA ), IBETA = 1, 10 ) /\n & 2.447603, 2.445172, 2.443762, 2.451842, 2.475877,\n & 2.519039, 2.580118, 2.653004, 2.727234, 2.789738/\n DATA ( BM2JI( 6, 7,IBETA ), IBETA = 1, 10 ) /\n & 3.368490, 3.399821, 3.481357, 3.606716, 3.772101,\n & 3.969416, 4.184167, 4.396163, 4.582502, 4.721838/\n DATA ( BM2JI( 6, 8,IBETA ), IBETA = 1, 10 ) /\n & 4.426458, 4.489861, 4.648250, 4.877510, 5.160698,\n & 5.477495, 5.803123, 6.111250, 6.378153, 6.586050/\n DATA ( BM2JI( 6, 9,IBETA ), IBETA = 1, 10 ) /\n & 5.568061, 5.644988, 5.829837, 6.081532, 6.371214,\n & 6.672902, 6.963737, 7.226172, 7.449199, 7.627886/\n DATA ( BM2JI( 6,10,IBETA ), IBETA = 1, 10 ) /\n & 6.639152, 6.707020, 6.863974, 7.065285, 7.281744,\n & 7.492437, 7.683587, 7.847917, 7.983296, 8.090977/\n DATA ( BM2JI( 7, 1,IBETA ), IBETA = 1, 10 ) /\n & 0.980853, 0.945724, 0.871244, 0.787311, 0.708818,\n & 0.641987, 0.588462, 0.547823, 0.518976, 0.500801/\n DATA ( BM2JI( 7, 2,IBETA ), IBETA = 1, 10 ) /\n & 1.026738, 0.990726, 0.914306, 0.828140, 0.747637,\n & 0.679351, 0.625127, 0.584662, 0.556910, 0.540749/\n DATA ( BM2JI( 7, 3,IBETA ), IBETA = 1, 10 ) /\n & 1.146496, 1.108808, 1.028695, 0.938291, 0.854101,\n & 0.783521, 0.728985, 0.690539, 0.667272, 0.657977/\n DATA ( BM2JI( 7, 4,IBETA ), IBETA = 1, 10 ) /\n & 1.344846, 1.306434, 1.224543, 1.132031, 1.046571,\n & 0.976882, 0.926488, 0.896067, 0.884808, 0.891027/\n DATA ( BM2JI( 7, 5,IBETA ), IBETA = 1, 10 ) /\n & 1.670227, 1.634583, 1.558421, 1.472939, 1.396496,\n & 1.339523, 1.307151, 1.300882, 1.319622, 1.360166/\n DATA ( BM2JI( 7, 6,IBETA ), IBETA = 1, 10 ) /\n & 2.224548, 2.199698, 2.148284, 2.095736, 2.059319,\n & 2.050496, 2.075654, 2.136382, 2.229641, 2.347958/\n DATA ( BM2JI( 7, 7,IBETA ), IBETA = 1, 10 ) /\n & 3.104483, 3.105947, 3.118398, 3.155809, 3.230427,\n & 3.350585, 3.519071, 3.731744, 3.976847, 4.235616/\n DATA ( BM2JI( 7, 8,IBETA ), IBETA = 1, 10 ) /\n & 4.288426, 4.331456, 4.447024, 4.633023, 4.891991,\n & 5.221458, 5.610060, 6.036467, 6.471113, 6.880462/\n DATA ( BM2JI( 7, 9,IBETA ), IBETA = 1, 10 ) /\n & 5.753934, 5.837061, 6.048530, 6.363800, 6.768061,\n & 7.241280, 7.755346, 8.276666, 8.771411, 9.210826/\n DATA ( BM2JI( 7,10,IBETA ), IBETA = 1, 10 ) /\n & 7.466219, 7.568810, 7.819032, 8.168340, 8.582973,\n & 9.030174, 9.478159, 9.899834, 10.275940, 10.595910/\n DATA ( BM2JI( 8, 1,IBETA ), IBETA = 1, 10 ) /\n & 0.990036, 0.954782, 0.880531, 0.797334, 0.719410,\n & 0.652220, 0.596923, 0.552910, 0.519101, 0.494529/\n DATA ( BM2JI( 8, 2,IBETA ), IBETA = 1, 10 ) /\n & 1.032428, 0.996125, 0.919613, 0.833853, 0.753611,\n & 0.684644, 0.628260, 0.583924, 0.550611, 0.527407/\n DATA ( BM2JI( 8, 3,IBETA ), IBETA = 1, 10 ) /\n & 1.141145, 1.102521, 1.021017, 0.929667, 0.844515,\n & 0.772075, 0.714086, 0.670280, 0.639824, 0.621970/\n DATA ( BM2JI( 8, 4,IBETA ), IBETA = 1, 10 ) /\n & 1.314164, 1.273087, 1.186318, 1.089208, 0.999476,\n & 0.924856, 0.867948, 0.829085, 0.807854, 0.803759/\n DATA ( BM2JI( 8, 5,IBETA ), IBETA = 1, 10 ) /\n & 1.580611, 1.538518, 1.449529, 1.350459, 1.260910,\n & 1.190526, 1.143502, 1.121328, 1.124274, 1.151974/\n DATA ( BM2JI( 8, 6,IBETA ), IBETA = 1, 10 ) /\n & 2.016773, 1.977721, 1.895727, 1.806974, 1.732891,\n & 1.685937, 1.673026, 1.697656, 1.761039, 1.862391/\n DATA ( BM2JI( 8, 7,IBETA ), IBETA = 1, 10 ) /\n & 2.750093, 2.723940, 2.672854, 2.628264, 2.612250,\n & 2.640406, 2.723211, 2.866599, 3.071893, 3.335217/\n DATA ( BM2JI( 8, 8,IBETA ), IBETA = 1, 10 ) /\n & 3.881905, 3.887143, 3.913667, 3.981912, 4.111099,\n & 4.316575, 4.608146, 4.988157, 5.449592, 5.974848/\n DATA ( BM2JI( 8, 9,IBETA ), IBETA = 1, 10 ) /\n & 5.438870, 5.492742, 5.640910, 5.886999, 6.241641,\n & 6.710609, 7.289480, 7.960725, 8.693495, 9.446644/\n DATA ( BM2JI( 8,10,IBETA ), IBETA = 1, 10 ) /\n & 7.521152, 7.624621, 7.892039, 8.300444, 8.839787,\n & 9.493227, 10.231770, 11.015642, 11.799990, 12.542260/\n DATA ( BM2JI( 9, 1,IBETA ), IBETA = 1, 10 ) /\n & 0.994285, 0.960012, 0.887939, 0.807040, 0.730578,\n & 0.663410, 0.606466, 0.559137, 0.520426, 0.489429/\n DATA ( BM2JI( 9, 2,IBETA ), IBETA = 1, 10 ) /\n & 1.033505, 0.998153, 0.923772, 0.840261, 0.761383,\n & 0.692242, 0.633873, 0.585709, 0.546777, 0.516215/\n DATA ( BM2JI( 9, 3,IBETA ), IBETA = 1, 10 ) /\n & 1.132774, 1.094907, 1.015161, 0.925627, 0.841293,\n & 0.767888, 0.706741, 0.657439, 0.619135, 0.591119/\n DATA ( BM2JI( 9, 4,IBETA ), IBETA = 1, 10 ) /\n & 1.286308, 1.245273, 1.158809, 1.061889, 0.971208,\n & 0.893476, 0.830599, 0.782561, 0.748870, 0.729198/\n DATA ( BM2JI( 9, 5,IBETA ), IBETA = 1, 10 ) /\n & 1.511105, 1.467141, 1.374520, 1.271162, 1.175871,\n & 1.096887, 1.037243, 0.997820, 0.978924, 0.980962/\n DATA ( BM2JI( 9, 6,IBETA ), IBETA = 1, 10 ) /\n & 1.857468, 1.812177, 1.717002, 1.612197, 1.519171,\n & 1.448660, 1.405871, 1.393541, 1.413549, 1.467532/\n DATA ( BM2JI( 9, 7,IBETA ), IBETA = 1, 10 ) /\n & 2.430619, 2.388452, 2.301326, 2.210241, 2.139724,\n & 2.104571, 2.114085, 2.174696, 2.291294, 2.467500/\n DATA ( BM2JI( 9, 8,IBETA ), IBETA = 1, 10 ) /\n & 3.385332, 3.357690, 3.306611, 3.269804, 3.274462,\n & 3.340862, 3.484609, 3.717740, 4.048748, 4.481588/\n DATA ( BM2JI( 9, 9,IBETA ), IBETA = 1, 10 ) /\n & 4.850497, 4.858280, 4.896008, 4.991467, 5.171511,\n & 5.459421, 5.873700, 6.426128, 7.119061, 7.942603/\n DATA ( BM2JI( 9,10,IBETA ), IBETA = 1, 10 ) /\n & 6.957098, 7.020164, 7.197272, 7.499331, 7.946554,\n & 8.555048, 9.330503, 10.263610, 11.327454, 12.478332/\n DATA ( BM2JI( 10, 1,IBETA ), IBETA = 1, 10 ) /\n & 0.994567, 0.961842, 0.892854, 0.814874, 0.740198,\n & 0.673303, 0.615105, 0.565139, 0.522558, 0.486556/\n DATA ( BM2JI( 10, 2,IBETA ), IBETA = 1, 10 ) /\n & 1.031058, 0.997292, 0.926082, 0.845571, 0.768501,\n & 0.699549, 0.639710, 0.588538, 0.545197, 0.508894/\n DATA ( BM2JI( 10, 3,IBETA ), IBETA = 1, 10 ) /\n & 1.122535, 1.086287, 1.009790, 0.923292, 0.840626,\n & 0.766982, 0.703562, 0.650004, 0.605525, 0.569411/\n DATA ( BM2JI( 10, 4,IBETA ), IBETA = 1, 10 ) /\n & 1.261142, 1.221555, 1.137979, 1.043576, 0.953745,\n & 0.874456, 0.807292, 0.752109, 0.708326, 0.675477/\n DATA ( BM2JI( 10, 5,IBETA ), IBETA = 1, 10 ) /\n & 1.456711, 1.413432, 1.322096, 1.219264, 1.122319,\n & 1.038381, 0.969743, 0.916811, 0.879544, 0.858099/\n DATA ( BM2JI( 10, 6,IBETA ), IBETA = 1, 10 ) /\n & 1.741792, 1.695157, 1.596897, 1.487124, 1.385734,\n & 1.301670, 1.238638, 1.198284, 1.181809, 1.190689/\n DATA ( BM2JI( 10, 7,IBETA ), IBETA = 1, 10 ) /\n & 2.190197, 2.141721, 2.040226, 1.929245, 1.832051,\n & 1.760702, 1.721723, 1.719436, 1.757705, 1.840677/\n DATA ( BM2JI( 10, 8,IBETA ), IBETA = 1, 10 ) /\n & 2.940764, 2.895085, 2.801873, 2.707112, 2.638603,\n & 2.613764, 2.644686, 2.741255, 2.912790, 3.168519/\n DATA ( BM2JI( 10, 9,IBETA ), IBETA = 1, 10 ) /\n & 4.186191, 4.155844, 4.101953, 4.069102, 4.089886,\n & 4.189530, 4.389145, 4.707528, 5.161567, 5.765283/\n DATA ( BM2JI( 10,10,IBETA ), IBETA = 1, 10 ) /\n & 6.119526, 6.127611, 6.171174, 6.286528, 6.508738,\n & 6.869521, 7.396912, 8.113749, 9.034683, 10.162190/\n \nC *** end of data statements. \n\nC----------------------------------------------------------------------\n\n CONSTII = ABS( HALF * ( TWO ) ** TWO3RDS - ONE )\n SQRTTWO = SQRT( TWO ) \n DLGSQT2 = ONE / LOG( SQRTTWO )\n\n ESAT01 = EXP( 0.125D0 * XXLSGAT * XXLSGAT )\n ESAC01 = EXP( 0.125D0 * XXLSGAC * XXLSGAC )\n\n ESAT04 = ESAT01 ** 4\n ESAC04 = ESAC01 ** 4\n\n ESAT05 = ESAT04 * ESAT01\n ESAC05 = ESAC04 * ESAC01\n\n ESAT08 = ESAT04 * ESAT04\n ESAC08 = ESAC04 * ESAC04\n\n ESAT09 = ESAT08 * ESAT01\n ESAC09 = ESAC08 * ESAC01\n\n ESAT16 = ESAT08 * ESAT08\n ESAC16 = ESAC08 * ESAC08\n\n ESAT20 = ESAT16 * ESAT04\n ESAC20 = ESAC16 * ESAC04\n\n ESAT24 = ESAT20 * ESAT04\n ESAC24 = ESAC20 * ESAC04\n\n ESAT25 = ESAT20 * ESAT05\n ESAC25 = ESAC20 * ESAC05\n\n ESAT36 = ESAT20 * ESAT16\n ESAC36 = ESAC20 * ESAC16\n\n ESAT49 = ESAT24 * ESAT25\n\n ESAT64 = ESAT20 * ESAT20 * ESAT24\n ESAC64 = ESAC20 * ESAC20 * ESAC24\n\n ESAT100 = ESAT64 * ESAT36\n\n DGAT2 = DGATK * DGATK\n DGAT3 = DGATK * DGATK * DGATK\n DGAC2 = DGACC * DGACC\n DGAC3 = DGACC * DGACC * DGACC\n\n SQDGAT = SQRT( DGATK )\n SQDGAC = SQRT( DGACC )\n SQDGAT5 = DGAT2 * SQDGAT\n SQDGAC5 = DGAC2 * SQDGAC\n SQDGAT7 = DGAT3 * SQDGAT\n\nC *** For the free molecular regime: Page H.3 of Whitby et al. (1991)\n R = SQDGAC / SQDGAT\n R2 = R * R\n R3 = R2 * R\n R4 = R2 * R2\n R6 = R3 * R3\n RI1 = ONE / R\n RI2 = ONE / R2\n RI3 = ONE / R3\n RI4 = RI2 * RI2\n KNGAT = TWO * LAMDA / DGATK\n KNGAC = TWO * LAMDA / DGACC\n\nC *** Calculate ratio of geometric mean diameters\n RAT = DGACC / DGATK\n\nC *** Trap subscripts for BM0 and BM0I, between 1 and 10 \nc See page H.5 of Whitby et al. (1991)\n N2N = MAX( 1, MIN( 10, \n & NINT( 4.0 * ( SGATK - 0.75D0 ) ) ) )\n N2A = MAX( 1, MIN( 10, \n & NINT( 4.0 * ( SGACC - 0.75D0 ) ) ) )\n N1 = MAX( 1, MIN( 10,\n & 1 + NINT( DLGSQT2 * LOG( RAT ) ) ) )\n\nC *** Intermodal Coagulation\n\nC *** Set up for zeroth moment\n\nC *** Near-continuum form: Equation H.10a of Whitby et al. (1991)\n COAGNC0 = KNC * ( \n & TWO + A * ( KNGAT * ( ESAT04 + R2 * ESAT16 * ESAC04 )\n & + KNGAC * ( ESAC04 + RI2 * ESAC16 * ESAT04 ) )\n & + ( R2 + RI2 ) * ESAT04 * ESAC04 ) \n\n \nC *** Free-molecular form: Equation H.7a of Whitby et al. (1991)\n COAGFM0 = KFMATAC * SQDGAT * BM0IJ( N1,N2N,N2A ) * ( \n & ESAT01 + R * ESAC01 + TWO * R2 * ESAT01 * ESAC04 \n & + R4 * ESAT09 * ESAC16 + RI3 * ESAT16 * ESAC09 \n & + TWO * RI1 * ESAT04 + ESAC01 ) \n\nC *** Loss to accumulation mode\n\nC *** Harmonic Mean\n COAGATAC0 = COAGNC0 * COAGFM0 / ( COAGNC0 + COAGFM0 )\n \n QN12 = COAGATAC0\n\nC *** Set up for second moment\nC The second moment equations are new and begin with equations A1\nC through A4 of Binkowski and Shankar (1995). After some algebraic\nC rearrangement and application of the extended mean value theorem\nC of integral calculus, equations are obtained that can be solved\nC analytically with correction factors as has been done by\nC Whitby et al. (1991)\n\nC *** The term ( dp1 + dp2 ) ** (2/3) in Equations A3 and A4 of\nC Binkowski and Shankar (1995) is approximated by\nC (DGAT ** 3 + DGAC **3 ) ** 2/3 \n\nC *** Near-continuum form\n I1NC = KNC * DGAT2 * (\n & TWO * ESAT16\n & + R2 * ESAT04 * ESAC04\n & + RI2 * ESAT36 * ESAC04\n & + A * KNGAT * (\n & ESAT04\n & + RI2 * ESAT16 * ESAC04\n & + RI4 * ESAT36 * ESAC16\n & + R2 * ESAC04 ) )\n\nC *** Free-molecular form\n I1FM = KFMATAC * SQDGAT5 * BM2IJ( N1,N2N,N2A ) * (\n & ESAT25\n & + TWO * R2 * ESAT09 * ESAC04\n & + R4 * ESAT01 * ESAC16\n & + RI3 * ESAT64 * ESAC09\n & + TWO * RI1 * ESAT36 * ESAC01\n & + R * ESAT16 * ESAC01 )\n\nC *** Loss to accumulation mode\n\nC *** Harmonic mean\n I1 = ( I1FM * I1NC ) / ( I1FM + I1NC )\n COAGATAC2 = I1 \n QS12 = COAGATAC2 \n\nC *** Gain by accumulation mode\n COAGACAT2 = ( ( ONE + R6 ) ** TWO3RDS - R4 ) * I1 \n QS21 = COAGACAT2 * BM2JI( N1,N2N,N2A )\n\nC *** Set up for third moment\n \nC *** Near-continuum form: Equation H.10b of Whitby et al. (1991)\n COAGNC3 = KNC * DGAT3 * ( \n & TWO * ESAT36 \n & + A * KNGAT * ( ESAT16 + R2 * ESAT04 * ESAC04 ) \n & + A * KNGAC * ( ESAT36 * ESAC04 + RI2 * ESAT64 * ESAC16 )\n & + R2 * ESAT16 * ESAC04 + RI2 * ESAT64 * ESAC04 )\n \nC *** Free_molecular form: Equation H.7b of Whitby et al. (1991)\n COAGFM3 = KFMATAC * SQDGAT7 * BM3I( N1, N2N, N2A ) * ( \n & ESAT49 \n & + R * ESAT36 * ESAC01 \n & + TWO * R2 * ESAT25 * ESAC04\n & + R4 * ESAT09 * ESAC16\n & + RI3 * ESAT100 * ESAC09\n & + TWO * RI1 * ESAT64 * ESAC01 ) \n\nC *** gain by accumulation mode = loss from Aitken mode\n\nC *** Harmonic mean \n COAGATAC3 = COAGNC3 * COAGFM3 / ( COAGNC3 + COAGFM3 )\n QV12 = COAGATAC3 \n\nC *** Intramodal coagulation\n\nC *** Zeroeth moment\n\nC *** Aitken mode\n\nC *** Near-continuum form: Equation H.12a of Whitby et al. (1991)\n COAGNC_AT = KNC * (ONE + ESAT08 + A * KNGAT * ( ESAT20 + ESAT04 ) )\n\nC *** Free-molecular form: Equation H.11a of Whitby et al. (1991)\n COAGFM_AT = KFMAT * SQDGAT * BM0( N2N ) * \n & ( ESAT01 + ESAT25 + TWO * ESAT05 )\n\nC *** Harmonic mean \n COAGATAT0 = COAGFM_AT * COAGNC_AT / ( COAGFM_AT + COAGNC_AT )\n QN11 = COAGATAT0 \n \nC *** Accumulation mode \n\nC *** Near-continuum form: Equation H.12a of Whitby et al. (1991)\n COAGNC_AC = KNC * (ONE + ESAC08 + A * KNGAC * ( ESAC20 + ESAC04 ) )\n\nC *** Free-molecular form: Equation H.11a of Whitby et al. (1991)\n COAGFM_AC = KFMAC * SQDGAC * BM0( N2A ) * \n & ( ESAC01 + ESAC25 + TWO * ESAC05 ) \n \nC *** Harmonic mean \n COAGACAC0 = COAGFM_AC * COAGNC_AC / ( COAGFM_AC + COAGNC_AC )\n QN22 = COAGACAC0\n\nC *** Set up for second moment\nC The second moment equations are new and begin with 3.11a on Page\nc 45 of Whitby et al. (1991). After some algebraic rearrangement and\nc application of the extended mean value theorem of integral calculus\nc equations are obtained that can be solved analytically with \nc correction factors as has been done by Whitby et al. (1991)\n \nC *** Aitken mode\n\nC *** Near-continuum\n I1NC_AT = KNC * DGAT2 * (\n & TWO * ESAT16\n & + ESAT04 * ESAT04\n & + ESAT36 * ESAT04\n & + A * KNGAT * (\n & TWO * ESAT04\n & + ESAT16 * ESAT04\n & + ESAT36 * ESAT16 ) )\n \nC *** Free- molecular form\n I1FM_AT = KFMAT * SQDGAT5 * BM2II( N2N ) * (\n & ESAT25\n & + TWO * ESAT09 * ESAT04\n & + ESAT01 * ESAT16\n & + ESAT64 * ESAT09\n & + TWO * ESAT36 * ESAT01\n & + ESAT16 * ESAT01 ) \n\n I1_AT = ( I1NC_AT * I1FM_AT ) / ( I1NC_AT + I1FM_AT )\n COAGATAT2 = CONSTII * I1_AT\n QS11 = COAGATAT2 * BM2IITT( N2N )\n\nC *** Accumulation mode\n\nC *** Near-continuum\n I1NC_AC = KNC * DGAC2 * (\n & TWO * ESAC16\n & + ESAC04 * ESAC04\n & + ESAC36 * ESAC04\n & + A * KNGAC * (\n & TWO * ESAC04\n & + ESAC16 * ESAC04\n & + ESAC36 * ESAC16 ) )\n\nC *** Free-molecular form\n I1FM_AC = KFMAC * SQDGAC5 * BM2II( N2A ) * (\n & ESAC25\n & + TWO * ESAC09 * ESAC04\n & + ESAC01 * ESAC16\n & + ESAC64 * ESAC09\n & + TWO * ESAC36 * ESAC01\n & + ESAC16 * ESAC01 )\n \n I1_AC = ( I1NC_AC * I1FM_AC ) / ( I1NC_AC + I1FM_AC )\n COAGACAC2 = CONSTII * I1_AC\n QS22 = COAGACAC2 * BM2IITT( N2A )\n \n RETURN\n\n END SUBROUTINE GETCOAGS\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n subroutine intracoag_gh( lamda, kfm, knc, dg, xlnsig,\n & quads11, quadn11 )\n\nc Gauss-Hermite numerical quadrature to calculate intramodal coagulation\nc rates for number and second moment\n \nc FSB: This version runs in real*8 arithmetic\n \nc *** This version calculates the coagulation coefficients using the harmonic\nc mean approach for both fm and nc cases.\nc *** Does gauss-hermite quadrature for intra-modal coagulation integrals for\nc 2nd moment for a lognormal distribution defined by dg, xlnsig,\nc *** dg and xlnsig are the geometric mean diameters (meters) and the logarithms\nc of the geometric standard deviations (dimensionless) whose meaning is\nc defined below at the end of the routine ghxi, ghwi are the gauss-hermite\nc weights and n is one-half the number of abscissas, since an even number\nc of abscissas is used\n\n implicit none\n\nc *** arguments:\n real( 8 ), intent( in ) :: lamda ! mean free path\n real( 8 ), intent( in ) :: kfm, knc\n real, intent( in ) :: dg, xlnsig\n real( 8 ), intent( out ) :: quads11, quadn11\n\nc *** parameters:\n real( 8 ), parameter :: pi = 3.14159265358979324d0\n real( 8 ), parameter :: two3rds = 2.0d0 / 3.0d0\n real( 8 ), parameter :: sqrt2 = 1.414213562373095d0\n real( 8 ), parameter :: A = 1.246d0 ! approx Cunningham corr. factor\n real( 8 ), parameter :: twoA = 2.0d0 * A\n\nc *** local variables:\n real( 8 ) :: sum1sfm, sum2sfm, sum1nfm, sum2nfm\n real( 8 ) :: sum1snc, sum2snc, sum1nnc, sum2nnc\n real( 8 ) :: xi, wxi, xf, dp1p, dp1m, dp1psq, dp1msq\n real( 8 ) :: v1p,v1m, a2p, a2m, v2p, v2m\n real( 8 ) :: yi, wyi, yf, dp2p, dp2m, dp2psq, dp2msq\n real( 8 ) :: dspp, dsmp, dspm, dsmm\n real( 8 ) :: bppfm, bmpfm, bpmfm, bmmfm\n real( 8 ) :: bppnc, bmpnc, bpmnc, bmmnc\n real( 8 ) :: xx1, xx2\n real( 8 ) :: xbsfm, xbsnc, xbnfm, xbnnc\n integer i, j\n\nc *** Has a fixed number of Gauss-Herimite abscissas (n)\n integer, parameter :: n = 5 ! one-half the number of abscissas\n real( 8 ) :: ghxi( n ) ! Gauss-Hermite abscissas\n real( 8 ) :: ghwi( n ) ! Gauss-Hermite weights\n\nc *** Values from Table 25.10 (page 924) of Abramowitz and Stegun,\nc Handbook of Mathematical Functions, National Bureau of Standards,\nc December 1965.\nc (Breaks in number to facilitate comparison with printed table.)\n\nc *** tests show that 10 point is adquate.\n\n data ghxi/ 0.34290 13272 23705d0,\n & 1.03661 08297 89514d0,\n & 1.75668 36492 99882d0,\n & 2.53273 16742 32790d0,\n & 3.43615 91188 37738d0 /,\n\n & ghwi/ 6.10862 63373 53d-01,\n & 2.40138 61108 23d-01,\n & 3.38743 94455 48d-02,\n & 1.34364 57467 81d-03,\n & 7.64043 28552 33d-06 /\n\nc *** The following Statement Functions are based on expressions from\nc Binkowski & Shanker, Jour. Geophys. Research. Vol. 100, no. d12,\nc pp 26,191-26,209 December 20, 1995\n\n real( 8 ) :: betafm, betanc\n\nc *** for Free Molecular, Eq. A5\n betafm( xx1, xx2 ) = kfm\n & * sqrt( 1.d0 / xx1 ** 3 + 1.d0 / xx2 ** 3 )\n & * ( xx1 + xx2 ) ** 2\n\nc *** for Near Continuum, Eq. A6\n betanc( xx1, xx2 ) = knc * ( xx1 + xx2 )\n & * ( 1.0D0 / xx1 + 1.0d0 / xx2 + twoA * lamda\n & * ( 1.0d0 / xx1 ** 2 + 1.0d0 / xx2 ** 2 ) )\nC-----------------------------------------------------------------------\n\n sum1sfm = 0.d0\n sum1snc = 0.d0\n sum1nfm = 0.d0\n sum1nnc = 0.d0\n do 201 i = 1, n\n\n sum2sfm = 0.d0\n sum2snc = 0.d0\n sum2nfm = 0.d0\n sum2nnc = 0.d0\n\n xi = ghxi( i )\n wxi = ghwi( i )\n xf = exp( sqrt2 * xi * xlnsig )\n dp1p = dg * xf\n dp1m = dg / xf\n dp1psq = dp1p * dp1p\n dp1msq = dp1m * dp1m\n v1p = dp1p * dp1psq\n v1m = dp1m * dp1msq\n do 101 j = 1, n\n yi = ghxi( j )\n wyi = ghwi( j )\n yf = exp( sqrt2 * yi * xlnsig )\n dp2p = dg * yf\n dp2m = dg / yf\n dp2psq = dp2p * dp2p\n dp2msq = dp2m * dp2m\n a2p = dp2psq\n a2m = dp2msq\n v2p = dp2p * dp2psq\n v2m = dp2m * dp2msq\n dspp = 0.5d0 * ( v1p + v2p ) ** two3rds - a2p\n dsmp = 0.5d0 * ( v1m + v2p ) ** two3rds - a2p\n dspm = 0.5d0 * ( v1p + v2m ) ** two3rds - a2m\n dsmm = 0.5d0 * ( v1m + v2m ) ** two3rds - a2m\n\n bppfm = betafm( dp1p, dp2p )\n bmpfm = betafm( dp1m, dp2p )\n bpmfm = betafm( dp1p, dp2m )\n bmmfm = betafm( dp1m, dp2m )\n\n bppnc = betanc( dp1p, dp2p )\n bmpnc = betanc( dp1m, dp2p )\n bpmnc = betanc( dp1p, dp2m )\n bmmnc = betanc( dp1m, dp2m )\n\n sum2sfm = sum2sfm + wyi * ( dspp * bppfm + dspm * bpmfm\n & + dsmp * bmpfm + dsmm * bmmfm )\n\n sum2nfm = sum2nfm + wyi * ( bppfm + bmpfm + bpmfm + bmmfm )\n sum2snc = sum2snc + wyi * ( dspp * bppnc + dspm * bpmnc\n & + dsmp * bmpnc + dsmm * bmmnc )\n sum2nnc = sum2nnc + wyi * ( bppnc + bmpnc + bpmnc + bmmnc )\n\n101 continue\n sum1sfm = sum1sfm + wxi * sum2sfm\n sum1nfm = sum1nfm + wxi * sum2nfm\n\n sum1snc = sum1snc + wxi * sum2snc\n sum1nnc = sum1nnc + wxi * sum2nnc\n\n201 continue\n\nc *** quads11 is the intra-modal coagulation term for 2nd moment\n xbsfm = -sum1sfm / pi\n xbsnc = -sum1snc / pi\n quads11 = xbsfm * xbsnc / ( xbsfm + xbsnc )\n\nc *** quadn11 is the intra-modal coagulation term for number\n xbnfm = 0.5D0 * sum1nfm / pi\n xbnnc = 0.5D0 * sum1nnc / pi\n quadn11 = xbnfm * xbnnc / ( xbnfm + xbnnc )\n\n return\n end subroutine intracoag_gh\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n subroutine intercoag_gh( lamda, kfm, knc, dg1, dg2, xlnsig1, xlnsig2,\n & quads12, quads21, quadn12, quadv12 )\n\nc Gauss-Hermite numerical quadrature to calculate intermodal coagulation\nc for number, 2nd, and 3rd moment\n \nc FSB This version runs in real*8 arithmetic\n \nc *** This version calculates the coagulation coefficients using the harmonic\nc mean approach for both fm and nc cases.\nc *** Does gauss-hermite quadrature for inter-modal coagulation integrals\nc for 2nd moment for two lognormal distributions defined by dg1, xlnsig1,\nc dg2, xlnsig2.\nc *** dg and xlnsig are the geometric mean diameters (meters) and the logarithms\nc of the geometric standard deviations (dimensionless), whose meaning is\nc defined below at the end of the routine.\nc ghxi, ghwi are the gauss-hermite weights and n is one-half the\nc number of abscissas, since an even number of abscissas is used.\n\n implicit none\n\n\nc *** arguments:\n real( 8 ), intent( in ) :: lamda ! mean free path\n real( 8 ), intent( in ) :: kfm, knc\n real, intent( in ) :: dg1, dg2, xlnsig1, xlnsig2\n real( 8 ), intent( out ) :: quads12, quads21, quadn12, quadv12\n\nc *** parameters:\n real( 8 ), parameter :: pi = 3.14159265358979324d0\n real( 8 ), parameter :: two3rds = 2.0d0 / 3.0d0\n real( 8 ), parameter :: sqrt2 = 1.414213562373095d0\n real( 8 ), parameter :: A = 1.246d0 ! approx Cunningham corr. factor\n real( 8 ), parameter :: twoA = 2.0d0 * A\n\nc *** local variables:\n real( 8 ) :: sum1s12fm, sum1s21fm, sum2s12fm, sum2s21fm\n real( 8 ) :: sum1nfm, sum2nfm\n real( 8 ) :: sum1vfm, sum2vfm\n real( 8 ) :: sum1s12nc, sum1s21nc, sum2s12nc, sum2s21nc\n real( 8 ) :: sum1nnc, sum2nnc\n real( 8 ) :: sum1vnc, sum2vnc\n real( 8 ) :: xi, wxi,xf, dp1p, dp1m, dp1psq, dp1msq\n real( 8 ) :: a1p, a1m, v1p, v1m\n real( 8 ) :: a2p, a2m, v2p, v2m\n real( 8 ) :: yi, wyi, yf, dp2p, dp2m, dp2psq, dp2msq\n real( 8 ) :: dspp, dsmp, dspm, dsmm\n real( 8 ) :: bppfm, bmpfm, bpmfm, bmmfm\n real( 8 ) :: bppnc, bmpnc, bpmnc, bmmnc\n real( 8 ) :: xx1, xx2\n real( 8 ) :: xbsfm, xbsnc, xbnfm, xbnnc, xbvfm, xbvnc\n integer i, j\n\nc *** Has a fixed number of Gauss-Herimite abscissas (n)\n integer, parameter :: n = 5 ! one-half the number of abscissas\n real( 8 ) :: ghxi( n ) ! Gauss-Hermite abscissas\n real( 8 ) :: ghwi( n ) ! Gauss-Hermite weights\n\nc *** Values from Table 25.10 (page 924) of Abramowitz and Stegun,\nc Handbook of Mathematical Functions, National Bureau of Standards,\nc December 1965.\nc (Breaks in number to facilitate comparison with printed table.)\n\nc *** tests show that 10 point is adquate.\n\n data ghxi/ 0.34290 13272 23705D0,\n & 1.03661 08297 89514D0,\n & 1.75668 36492 99882D0,\n & 2.53273 16742 32790D0,\n & 3.43615 91188 37738D0 /,\n\n & ghwi/ 6.10862 63373 53d-01,\n & 2.40138 61108 23d-01,\n & 3.38743 94455 48d-02,\n & 1.34364 57467 81d-03,\n & 7.64043 28552 33d-06 /\n\nc *** The following Statement Functions are based on expressions from\nc Binkowski & Shanker, Jour. Geophys. Research. Vol. 100, no. d12,\nc pp 26,191-26,209 December 20, 1995\n\n real( 8 ) :: betafm, betanc\n\nc *** for Free Molecular, Eq. A5\n betafm( xx1, xx2 ) = kfm\n & * sqrt( 1.d0 / xx1 ** 3 + 1.d0 / xx2 ** 3 )\n & * ( xx1 + xx2 ) ** 2\n\nc *** for Near Continuum, Eq. A6\n betanc( xx1, xx2 ) = knc * ( xx1 + xx2 )\n & * ( 1.0D0 / xx1 + 1.0d0 / xx2 + twoA * lamda\n & * ( 1.0d0 / xx1 ** 2 + 1.0d0 / xx2 ** 2 ) )\nc-----------------------------------------------------------------------\n\n sum1s12fm = 0.d0\n sum1s12nc = 0.d0\n sum1s21fm = 0.d0\n sum1s21nc = 0.d0\n sum1vnc = 0.d0\n sum1vfm = 0.d0\n sum1nfm = 0.d0\n sum1nnc = 0.d0\n do 201 i = 1, n\n\n sum2s12fm = 0.d0\n sum2s12nc = 0.d0\n sum2s21fm = 0.d0\n sum2s21nc = 0.d0\n sum2nfm = 0.d0\n sum2nnc = 0.d0\n sum2vnc = 0.d0\n sum2vfm = 0.d0\n xi = ghxi( i )\n wxi = ghwi( i )\n xf = exp( sqrt2 * xi *xlnsig1 )\n dp1p = dg1 * xf\n dp1m = dg1 / xf\n dp1psq = dp1p * dp1p\n dp1msq = dp1m * dp1m\n a1p = dp1psq\n a1m = dp1msq\n v1p = dp1p * dp1psq\n v1m = dp1m * dp1msq\n\n do 101 j = 1, n\n yi = ghxi( j )\n wyi = ghwi( j )\n yf = exp( sqrt2 * yi * xlnsig2 )\n dp2p = dg2 * yf\n dp2m = dg2 / yf\n dp2psq = dp2p * dp2p\n dp2msq = dp2m * dp2m\n a2p = dp2psq\n a2m = dp2msq\n v2p = dp2p * dp2psq\n v2m = dp2m * dp2msq\n dspp = ( v1p + v2p ) ** two3rds - a2p\n dsmp = ( v1m + v2p ) ** two3rds - a2p\n dspm = ( v1p + v2m ) ** two3rds - a2m\n dsmm = ( v1m + v2m ) ** two3rds - a2m\n\n bppfm = betafm( dp1p, dp2p )\n bmpfm = betafm( dp1m, dp2p )\n bpmfm = betafm( dp1p, dp2m )\n bmmfm = betafm( dp1m, dp2m )\n\n bppnc = betanc( dp1p, dp2p )\n bmpnc = betanc( dp1m, dp2p )\n bpmnc = betanc( dp1p, dp2m )\n bmmnc = betanc( dp1m, dp2m )\n\n sum2s12fm = sum2s12fm + wyi * ( a1p * bppfm + a1p * bpmfm\n & + a1m * bmpfm + a1m * bmmfm )\n\n sum2s21fm = sum2s21fm + wyi * ( dspp * bppfm + dspm * bpmfm\n & + dsmp * bmpfm + dsmm * bmmfm )\n\n sum2s12nc = sum2s12nc + wyi * ( a1p * bppnc + a1p * bpmnc\n & + a1m * bmpnc + a1m * bmmnc )\n \n sum2s21nc = sum2s21nc + wyi * ( dspp * bppnc + dspm * bpmnc\n & + dsmp * bmpnc + dsmm * bmmnc )\n\n sum2nfm = sum2nfm + wyi * ( bppfm + bmpfm + bpmfm + bmmfm )\n \n sum2nnc = sum2nnc + wyi * ( bppnc + bmpnc + bpmnc + bmmnc )\n\n sum2vfm = sum2vfm + wyi * ( v1p * ( bppfm + bpmfm )\n & + v1m * ( bmpfm + bmmfm ) )\n\n sum2vnc = sum2vnc + wyi * ( v1p * ( bppnc + bpmnc)\n & + v1m * ( bmpnc + bmmnc) )\n\n101 continue\n\n sum1s12fm = sum1s12fm + wxi * sum2s12fm\n sum1s21fm = sum1s21fm + wxi * sum2s21fm\n sum1nfm = sum1nfm + wxi * sum2nfm\n sum1vfm = sum1vfm + wxi * sum2vfm\n\n sum1s12nc = sum1s12nc + wxi * sum2s12nc\n sum1s21nc = sum1s21nc + wxi * sum2s21nc\n sum1nnc = sum1nnc + wxi * sum2nnc\n sum1vnc = sum1vnc + wxi * sum2vnc\n\n201 continue\n\nC *** Second moment intermodal coagulation coefficients\n\nc FSB NOTE: the transfer of second moment is not symmetric.\nc See equations A3 & A4 of Binkowski & Shankar (1995)\n\nc *** to accumulation mode from Aitken mode\n xbsfm = sum1s21fm / pi\n xbsnc = sum1s21nc / pi\n quads21 = xbsfm * xbsnc / ( xbsfm + xbsnc )\n\nc *** from Aitken mode to accumulation mode\n xbsfm = sum1s12fm / pi\n xbsnc = sum1s12nc / pi\n quads12 = xbsfm * xbsnc / ( xbsfm + xbsnc )\n\nc *** quadn12 is the intermodal coagulation coefficient for number\n xbnfm = sum1nfm / pi\n xbnnc = sum1nnc / pi\n quadn12 = xbnfm * xbnnc / ( xbnfm + xbnnc )\n\nc *** quadv12 is the intermodal coagulation coefficient for 3rd moment\n xbvfm = sum1vfm / pi\n xbvnc = sum1vnc / pi\n quadv12 = xbvfm * xbvnc / ( xbvfm + xbvnc )\n\n return\n end subroutine intercoag_gh\n\n" }, { "path": "CCTM/src/aero/aero6/getpar.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n Subroutine getpar( fixed_sg )\n\nC Calculates the 3rd moments (M3), masses, aerosol densities, and\nC geometric mean diameters (Dg) of all 3 modes, and the natural logs of\nC geometric standard deviations (Sg) of the Aitken and accumulation modes.\n\nC The logical variable, WET_MOMENTS_FLAG, dictates whether the\nC calculations in GETPAR are to assume that the aerosol is \"wet\" or\nC \"dry.\" In the present context, a \"wet\" aerosol consists of all\nC chemical components of the aerosol. A \"dry\" aerosol excludes\nC particle-bound water and also excludes semivol secondary organic aerosol.\n\nC NOTE! 2nd moment concentrations (M2) are passed into GETPAR in the\nC CBLK array and are modified within GETPAR only in the event that\nC the Sg value of a given mode has gone outside of the acceptable\nC range (1.05 to 2.50). The GETPAR calculations implicitly assume\nC that the input value of M2 is consistent with the input value of\nC WET_MOMENTS_FLAG. If, for example, the input M2 value was calculated\nC for a \"dry\" aerosol and the WET_MOMENTS_FLAG is .TRUE., GETPAR would\nC incorrectly adjust the M2 concentrations!\nC \nC Outputs: \nC moment3_conc third moment, proportional to volume [ m3/m3 ]\nC moment2_conc second moment, prop. to surface area [ m2/m3 ] \nC (adjusted if standard dev. hits limit)\nC aeromode_dens [ kg/m3 ]\nC aeromode_lnsg log of geometric standard deviation\nC aeromode_diam geometric mean diameter [ m ]\nC aeromode_mass mass concentration: [ ug / m**3 ]\nC\nC SH 03/10/11 Renamed met_data to aeromet_data\nC HP and BM 4/2016: Updated use of wet_moments_flag which is now\nC available through AERO_DATA consistent with the moments it refers to\nC-----------------------------------------------------------------------\n\n Use aero_data, only : wet_moments_flag, moment3_conc, moment2_conc, moment0_conc,\n & aeromode_dens, aeromode_lnsg, aeromode_diam, aeromode_mass,\n & min_dg_dry, min_dg_wet, min_sigma_g, max_sigma_g, n_mode, \n & aerospc, aero_missing, aerospc_conc, aeromode, n_aerospc\n Use aeromet_data, only : f6pi ! Includes CONST.EXT\n\n Implicit None\n\nC Arguments:\n Logical, Intent( In ) :: fixed_sg ! If TRUE, then the second moment is modified \n ! during each call in order to preserve the \n ! standard deviation at the current value.\n !\n ! If FALSE, then the standard deviation is \n ! recalculated to be consistent with the current \n ! combination of the 0th, 2nd and 3rd moments.\n ! During this calculation, standard deviation is \n ! limited by parameters in AERO_DATA (min_sigma_g \n ! and max_sigma_g)\n\nC Local Variables:\n Real( 8 ) :: xxm0 ! temporary storage of moment 0 conc's\n Real( 8 ) :: xxm2 ! temporary storage of moment 2 conc's\n Real( 8 ) :: xxm3 ! temporary storage of moment 3 conc's\n Real( 8 ) :: xfsum ! (ln(M0)+2ln(M3))/3; used in Sg calcs\n Real( 8 ) :: lxfm2 ! ln(M2); used in Sg calcs\n Real( 8 ) :: l2sg ! square of ln(Sg); used in diameter calcs\n Real :: es36 ! exp(4.5*l2sg); used in diameter calcs\n\n Real( 8 ), Parameter :: one3d = 1.0D0 / 3.0D0\n Real( 8 ), Parameter :: two3d = 2.0D0 / 3.0D0\n\n Real, Parameter :: one3 = 1.0 / 3.0\n Real, Parameter :: densmin = 1.0E03 ! minimum particle density [ kg/m**3 ]\n\n Real( 8 ), Save :: minl2sg( n_mode ) ! min value of ln(sg)**2 for each mode\n Real( 8 ), Save :: maxl2sg( n_mode ) ! max value of ln(sg)**2 for each mode\n\n Real( 8 ) :: factor\n Real( 8 ) :: species_mass\n Real( 8 ) :: sumM3\n Real( 8 ) :: sumMass\n Integer :: n, spc ! loop counters\n\n Logical, Save :: FirsTime = .True.\n\nC-----------------------------------------------------------------------\n\n If ( FirsTime ) Then\n ! Set bounds for ln(Sg)**2\n minl2sg = Real( Log( min_sigma_g ) ** 2, 8 )\n maxl2sg = Real( Log( max_sigma_g ) ** 2, 8 )\n FirsTime = .False.\n End If\n\nC *** Calculate aerosol 3rd moment concentrations [ m**3 / m**3 ]\n\n Do n = 1, n_mode\n sumM3 = 0.0d0\n sumMass = 0.0d0\n\n Do spc = 1, n_aerospc\n If ( aerospc( spc )%tracer .Or. aero_missing(spc,n) .Or. \n & ( aerospc( spc )%no_M2Wet .AND. .Not. wet_moments_flag ) ) Cycle\n\n factor = Real( 1.0E-9 * f6pi / aerospc( spc )%density, 8 )\n species_mass = Real( aerospc_conc( spc,n ), 8 )\n sumM3 = sumM3 + factor * species_mass\n sumMass = sumMass + species_mass\n End Do\n\n moment3_conc( n ) = Max ( Real( sumM3 ), aeromode( n )%min_m3conc )\n aeromode_mass( n ) = Real( sumMass )\n End Do\n\nC *** Calculate modal average particle densities [ kg/m**3 ]\n aeromode_dens = 1.0E-9 * f6pi * aeromode_mass / moment3_conc\n Where( aeromode_dens .Lt. densmin )\n aeromode_dens = densmin\n End Where\n\nC *** Calculate geometric standard deviations as follows:\nc ln^2(Sg) = 1/3*ln(M0) + 2/3*ln(M3) - ln(M2)\nc NOTES:\nc 1. Equation 10-5a of [Binkowski:1999] and Equation 5a of\nc Binkowski&Roselle(2003) contain typographical errors.\nc 2. If the square of the logarithm of the geometric standard\nc deviation is out of an acceptable range, reset this value and\nc adjust the second moments to be consistent with this value.\nc In this manner, M2 is artificially increased when Sg exceeds\nc the maximum limit. M2 is artificially decreased when Sg falls\nc below the minimum limit.\n\n Do n = 1, n_mode\n xxm0 = Real( moment0_conc( n ), 8 )\n xxm3 = Real( moment3_conc( n ), 8 )\n xfsum = one3d * Log( xxm0 ) + two3d * Log( xxm3 )\n\n if ( fixed_sg ) then\n l2sg = Real( aeromode_lnsg( n ) ** 2, 8)\n\n else\n xxm2 = Real( moment2_conc( n ), 8 )\n\n lxfm2 = Log( xxm2 )\n l2sg = xfsum - lxfm2\n\n l2sg = Max( l2sg, minl2sg( n ) )\n l2sg = Min( l2sg, maxl2sg( n ) )\n\n end if\n\n lxfm2 = xfsum - l2sg\n moment2_conc( n ) = Real( Exp ( lxfm2 ) )\n aeromode_lnsg( n ) = Real( Sqrt( l2sg ) )\n\n ES36 = Real( Exp( 4.5d0 * l2sg ) )\n\n ! Implement a lower-bound on the number concentration that\n ! constrains the mean diameter of each mode to less than 100 um\n moment0_conc( n ) = Max(moment0_conc( n ),\n & moment3_conc( n )/(1.0e-12 * es36) )\n\n aeromode_diam( n ) = ( moment3_conc( n ) / \n & ( moment0_conc( n ) * es36 ) ) ** one3 \n\n End Do\n\n Return\n End Subroutine getpar\n\n" }, { "path": "CCTM/src/aero/aero6/isocom.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC ======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE ISOROPIA\nC *** THIS SUBROUTINE IS THE MASTER ROUTINE FOR THE ISORROPIA\nC THERMODYNAMIC EQUILIBRIUM AEROSOL MODEL (VERSION 1.1 and above)\nC\nC ======================== ARGUMENTS / USAGE ===========================\nC\nC INPUT:\nC 1. [WI]\nC DOUBLE PRECISION array of length [8].\nC Concentrations, expressed in moles/m3. Depending on the type of\nC problem solved (specified in CNTRL(1)), WI contains either\nC GAS+AEROSOL or AEROSOL only concentratios.\nC WI(1) - sodium\nC WI(2) - sulfate\nC WI(3) - ammonium\nC WI(4) - nitrate\nC WI(5) - chloride\nC WI(6) - calcium\nC WI(7) - potassium\nC WI(8) - magnesium\nC\nC 2. [RHI]\nC DOUBLE PRECISION variable.\nC Ambient relative humidity expressed on a (0,1) scale.\nC\nC 3. [TEMPI]\nC DOUBLE PRECISION variable.\nC Ambient temperature expressed in Kelvins.\nC\nC 4. [CNTRL]\nC DOUBLE PRECISION array of length [2].\nC Parameters that control the type of problem solved.\nC\nC CNTRL(1): Defines the type of problem solved.\nC 0 - Forward problem is solved. In this case, array WI contains\nC GAS and AEROSOL concentrations together.\nC 1 - Reverse problem is solved. In this case, array WI contains\nC AEROSOL concentrations only.\nC\nC CNTRL(2): Defines the state of the aerosol\nC 0 - The aerosol can have both solid+liquid phases (deliquescent)\nC 1 - The aerosol is in only liquid state (metastable aerosol)\nC\nC OUTPUT:\nC 1. [WT]\nC DOUBLE PRECISION array of length [8].\nC Total concentrations (GAS+AEROSOL) of species, expressed in moles/m3.\nC If the foreward probelm is solved (CNTRL(1)=0), array WT is\nC identical to array WI.\nC WT(1) - total sodium\nC WT(2) - total sulfate\nC WT(3) - total ammonium\nC WT(4) - total nitrate\nC WT(5) - total chloride\nC WT(6) - total calcium\nC WT(7) - total potassium\nC WT(8) - total magnesium\nC\nC 2. [GAS]\nC DOUBLE PRECISION array of length [03].\nC Gaseous species concentrations, expressed in moles/m3.\nC GAS(1) - NH3\nC GAS(2) - HNO3\nC GAS(3) - HCl\nC\nC 3. [AERLIQ]\nC DOUBLE PRECISION array of length [15].\nC Liquid aerosol species concentrations, expressed in moles/m3.\nC AERLIQ(01) - H+(aq)\nC AERLIQ(02) - Na+(aq)\nC AERLIQ(03) - NH4+(aq)\nC AERLIQ(04) - Cl-(aq)\nC AERLIQ(05) - SO4--(aq)\nC AERLIQ(06) - HSO4-(aq)\nC AERLIQ(07) - NO3-(aq)\nC AERLIQ(08) - H2O\nC AERLIQ(09) - NH3(aq) (undissociated)\nC AERLIQ(10) - HNCl(aq) (undissociated)\nC AERLIQ(11) - HNO3(aq) (undissociated)\nC AERLIQ(12) - OH-(aq)\nC AERLIQ(13) - Ca2+(aq)\nC AERLIQ(14) - K+(aq)\nC AERLIQ(15) - Mg2+(aq)\nC\nC 4. [AERSLD]\nC DOUBLE PRECISION array of length [19].\nC Solid aerosol species concentrations, expressed in moles/m3.\nC AERSLD(01) - NaNO3(s)\nC AERSLD(02) - NH4NO3(s)\nC AERSLD(03) - NaCl(s)\nC AERSLD(04) - NH4Cl(s)\nC AERSLD(05) - Na2SO4(s)\nC AERSLD(06) - (NH4)2SO4(s)\nC AERSLD(07) - NaHSO4(s)\nC AERSLD(08) - NH4HSO4(s)\nC AERSLD(09) - (NH4)4H(SO4)2(s)\nC AERSLD(10) - CaSO4(s)\nC AERSLD(11) - Ca(NO3)2(s)\nC AERSLD(12) - CaCl2(s)\nC AERSLD(13) - K2SO4(s)\nC AERSLD(14) - KHSO4(s)\nC AERSLD(15) - KNO3(s)\nC AERSLD(16) - KCl(s)\nC AERSLD(17) - MgSO4(s)\nC AERSLD(18) - Mg(NO3)2(s)\nC AERSLD(19) - MgCl2(s)\nC\nC 5. [SCASI]\nC CHARACTER*15 variable.\nC Returns the subcase which the input corresponds to.\nC\nC 6. [OTHER]\nC DOUBLE PRECISION array of length [9].\nC Returns solution information.\nC\nC OTHER(1): Shows if aerosol water exists.\nC 0 - Aerosol is WET\nC 1 - Aerosol is DRY\nC\nC OTHER(2): Aerosol Sulfate ratio, defined as (in moles/m3) :\nC (total ammonia + total Na) / (total sulfate)\nC\nC OTHER(3): Sulfate ratio based on aerosol properties that defines\nC a sulfate poor system:\nC (aerosol ammonia + aerosol Na) / (aerosol sulfate)\nC\nC OTHER(4): Aerosol sodium ratio, defined as (in moles/m3) :\nC (total Na) / (total sulfate)\nC\nC OTHER(5): Ionic strength of the aqueous aerosol (if it exists).\nC\nC OTHER(6): Total number of calls to the activity coefficient\nC calculation subroutine.\nC\nC OTHER(7): Sulfate ratio with crustal species, defined as (in moles/m3) :\nC (total ammonia + total crustal species + total Na) / (total sulfate)\nC\nC OTHER(8): Crustal species + sodium ratio, defined as (in moles/m3) :\nC (total crustal species + total Na) / (total sulfate)\nC\nC OTHER(9): Crustal species ratio, defined as (in moles/m3) :\nC (total crustal species) / (total sulfate)\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE ISOROPIA (WI, RHI, TEMPI, CNTRL,\n & WT, GAS, AERLIQ, AERSLD, SCASI, OTHER)\n INCLUDE 'isrpia.inc'\n PARAMETER (NCTRL=2,NOTHER=9)\n CHARACTER SCASI*15\n DIMENSION WI(NCOMP), WT(NCOMP), GAS(NGASAQ), AERSLD(NSLDS),\n & AERLIQ(NIONS+NGASAQ+2), CNTRL(NCTRL), OTHER(NOTHER)\nC\nC *** PROBLEM TYPE (0=FOREWARD, 1=REVERSE) ******************************\nC\n IPROB = NINT(CNTRL(1))\nC\nC *** AEROSOL STATE (0=SOLID+LIQUID, 1=METASTABLE) **********************\nC\n METSTBL = NINT(CNTRL(2))\nC\nC *** SOLVE FOREWARD PROBLEM ********************************************\nC\n50 IF (IPROB.EQ.0) THEN\n IF (WI(1)+WI(2)+WI(3)+WI(4)+WI(5)+WI(6)+WI(7)+WI(8) .LE. TINY)\n & THEN !Everything=0\n CALL INIT1 (WI, RHI, TEMPI)\n ELSE IF (WI(1)+WI(4)+WI(5)+WI(6)+WI(7)+WI(8) .LE. TINY) THEN !Ca,K,Mg,Na,Cl,NO3=0\n CALL ISRP1F (WI, RHI, TEMPI)\n ELSE IF (WI(1)+WI(5)+WI(6)+WI(7)+WI(8) .LE. TINY) THEN !Ca,K,Mg,Na,Cl=0\n CALL ISRP2F (WI, RHI, TEMPI)\n ELSE IF (WI(6)+WI(7)+WI(8) .LE. TINY) THEN !Ca,K,Mg=0\n CALL ISRP3F (WI, RHI, TEMPI)\n ELSE\n CALL ISRP4F (WI, RHI, TEMPI)\n ENDIF\nC\nC *** SOLVE REVERSE PROBLEM *********************************************\nC\n ELSE\n IF (WI(1)+WI(2)+WI(3)+WI(4)+WI(5)+WI(6)+WI(7)+WI(8) .LE. TINY)\n & THEN !Everything=0\n CALL INIT1 (WI, RHI, TEMPI)\n ELSE IF (WI(1)+WI(4)+WI(5)+WI(6)+WI(7)+WI(8) .LE. TINY) THEN !Ca,K,Mg,Na,Cl,NO3=0\n CALL ISRP1R (WI, RHI, TEMPI)\n ELSE IF (WI(1)+WI(5)+WI(6)+WI(7)+WI(8) .LE. TINY) THEN !Ca,K,Mg,Na,Cl=0\n CALL ISRP2R (WI, RHI, TEMPI)\n ELSE IF (WI(6)+WI(7)+WI(8) .LE. TINY) THEN !Ca,K,Mg=0\n CALL ISRP3R (WI, RHI, TEMPI)\n ELSE\n CALL ISRP4R (WI, RHI, TEMPI)\n ENDIF\n ENDIF\nC\nC *** ADJUST MASS BALANCE ***********************************************\nC\n IF (NADJ.EQ.1) CALL ADJUST (WI)\nccC\nccC *** IF METASTABLE AND NO WATER - RESOLVE AS NORMAL ********************\nccC\ncc IF (WATER.LE.TINY .AND. METSTBL.EQ.1) THEN\ncc METSTBL = 0\ncc GOTO 50\ncc ENDIF\n\nC\nC *** SAVE RESULTS TO ARRAYS (units = mole/m3) ****************************\nC\n GAS(1) = GNH3 ! Gaseous aerosol species\n GAS(2) = GHNO3\n GAS(3) = GHCL\nC\n DO 10 I=1,7 ! Liquid aerosol species\n AERLIQ(I) = MOLAL(I)\n 10 CONTINUE\n DO 20 I=1,NGASAQ\n AERLIQ(7+1+I) = GASAQ(I)\n 20 CONTINUE\n AERLIQ(7+1) = WATER*1.0D3/18.0D0\n AERLIQ(7+NGASAQ+2) = COH\nC\n DO 250 I=8,10 ! Liquid aerosol species\n AERLIQ(I+5) = MOLAL(I)\n 250 CONTINUE\nC\n AERSLD(1) = CNANO3 ! Solid aerosol species\n AERSLD(2) = CNH4NO3\n AERSLD(3) = CNACL\n AERSLD(4) = CNH4CL\n AERSLD(5) = CNA2SO4\n AERSLD(6) = CNH42S4\n AERSLD(7) = CNAHSO4\n AERSLD(8) = CNH4HS4\n AERSLD(9) = CLC\n AERSLD(10) = CCASO4\n AERSLD(11) = CCANO32\n AERSLD(12) = CCACL2\n AERSLD(13) = CK2SO4\n AERSLD(14) = CKHSO4\n AERSLD(15) = CKNO3\n AERSLD(16) = CKCL\n AERSLD(17) = CMGSO4\n AERSLD(18) = CMGNO32\n AERSLD(19) = CMGCL2\nC\n IF(WATER.LE.TINY) THEN ! Dry flag\n OTHER(1) = 1.d0\n ELSE\n OTHER(1) = 0.d0\n ENDIF\nC\n OTHER(2) = SULRAT ! Other stuff\n OTHER(3) = SULRATW\n OTHER(4) = SODRAT\n OTHER(5) = IONIC\n OTHER(6) = ICLACT\n OTHER(7) = SO4RAT\n OTHER(8) = CRNARAT\n OTHER(9) = CRRAT\nC\n SCASI = SCASE\nC\n WT(1) = WI(1) ! Total gas+aerosol phase\n WT(2) = WI(2)\n WT(3) = WI(3)\n WT(4) = WI(4)\n WT(5) = WI(5)\n WT(6) = WI(6)\n WT(7) = WI(7)\n WT(8) = WI(8)\n\n\n IF (IPROB.GT.0 .AND. WATER.GT.TINY) THEN\n WT(3) = WT(3) + GNH3\n WT(4) = WT(4) + GHNO3\n WT(5) = WT(5) + GHCL\n ENDIF\nC\n RETURN\nC\nC *** END OF SUBROUTINE ISOROPIA ******************************************\nC\n END\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE SETPARM\nC *** THIS SUBROUTINE REDEFINES THE SOLUTION PARAMETERS OF ISORROPIA\nC\nC ======================== ARGUMENTS / USAGE ===========================\nC\nC *** NOTE: IF NEGATIVE VALUES ARE GIVEN FOR A PARAMETER, IT IS\nC IGNORED AND THE CURRENT VALUE IS USED INSTEAD.\nC \nC INPUT:\nC 1. [WFTYPI] \nC INTEGER variable.\nC Defines the type of weighting algorithm for the solution in Mutual \nC Deliquescence Regions (MDR's):\nC 0 - MDR's are assumed dry. This is equivalent to the approach \nC used by SEQUILIB.\nC 1 - The solution is assumed \"half\" dry and \"half\" wet throughout\nC the MDR.\nC 2 - The solution is a relative-humidity weighted mean of the\nC dry and wet solutions (as defined in Nenes et al., 1998)\nC\nC 2. [IACALCI] \nC INTEGER variable.\nC Method of activity coefficient calculation:\nC 0 - Calculate coefficients during runtime\nC 1 - Use precalculated tables\nC \nC 3. [EPSI] \nC DOUBLE PRECITION variable.\nC Defines the convergence criterion for all iterative processes\nC in ISORROPIA, except those for activity coefficient calculations\nC (EPSACTI controls that).\nC\nC 4. [MAXITI]\nC INTEGER variable.\nC Defines the maximum number of iterations for all iterative \nC processes in ISORROPIA, except for activity coefficient calculations \nC (NSWEEPI controls that).\nC\nC 5. [NSWEEPI]\nC INTEGER variable.\nC Defines the maximum number of iterations for activity coefficient \nC calculations.\nC \nC 6. [EPSACTI] \nC DOUBLE PRECISION variable.\nC Defines the convergence criterion for activity coefficient \nC calculations.\nC \nC 7. [NDIV] \nC INTEGER variable.\nC Defines the number of subdivisions needed for the initial root\nC tracking for the bisection method. Usually this parameter should \nC not be altered, but is included for completeness.\nC\nC 8. [NADJ]\nC INTEGER variable.\nC Forces the solution obtained to satisfy total mass balance\nC to machine precision\nC 0 - No adjustment done (default)\nC 1 - Do adjustment\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE SETPARM (WFTYPI, IACALCI, EPSI, MAXITI, NSWEEPI, \n & EPSACTI, NDIVI, NADJI)\n INCLUDE 'isrpia.inc'\n INTEGER WFTYPI\nC\nC *** SETUP SOLUTION PARAMETERS *****************************************\nC\n IF (WFTYPI .GE. 0) WFTYP = WFTYPI\n IF (IACALCI.GE. 0) IACALC = IACALCI\n IF (EPSI .GE.ZERO) EPS = EPSI\n IF (MAXITI .GT. 0) MAXIT = MAXITI\n IF (NSWEEPI.GT. 0) NSWEEP = NSWEEPI\n IF (EPSACTI.GE.ZERO) EPSACT = EPSACTI\n IF (NDIVI .GT. 0) NDIV = NDIVI\n IF (NADJI .GE. 0) NADJ = NADJI\nC\nC *** END OF SUBROUTINE SETPARM *****************************************\nC\n RETURN\n END\n\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE GETPARM\nC *** THIS SUBROUTINE OBTAINS THE CURRENT VAULES OF THE SOLUTION \nC PARAMETERS OF ISORROPIA\nC\nC ======================== ARGUMENTS / USAGE ===========================\nC\nC *** THE PARAMETERS ARE THOSE OF SUBROUTINE SETPARM\nC \nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE GETPARM (WFTYPI, IACALCI, EPSI, MAXITI, NSWEEPI, \n & EPSACTI, NDIVI, NADJI)\n INCLUDE 'isrpia.inc'\n INTEGER WFTYPI\nC\nC *** GET SOLUTION PARAMETERS *******************************************\nC\n WFTYPI = WFTYP\n IACALCI = IACALC\n EPSI = EPS\n MAXITI = MAXIT\n NSWEEPI = NSWEEP\n EPSACTI = EPSACT\n NDIVI = NDIV\n NADJI = NADJ\nC\nC *** END OF SUBROUTINE GETPARM *****************************************\nC\n RETURN\n END\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** BLOCK DATA BLKISO\nC *** THIS SUBROUTINE PROVIDES INITIAL (DEFAULT) VALUES TO PROGRAM\nC PARAMETERS VIA DATA STATEMENTS\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC *** ZSR RELATIONSHIP PARAMETERS MODIFIED BY DOUGLAS WALDRON\nC *** OCTOBER 2003\nC *** BASED ON AIM MODEL III (http://mae.ucdavis.edu/wexler/aim)\nC\nC=======================================================================\nC\n BLOCK DATA BLKISO\n INCLUDE 'isrpia.inc'\nC\nC *** DEFAULT VALUES *************************************************\nC\n DATA TEMP/298.0/, R/82.0567D-6/, RH/0.9D0/, EPS/1D-6/, MAXIT/100/,\n & TINY/1D-20/, GREAT/1D10/, ZERO/0.0D0/, ONE/1.0D0/,NSWEEP/4/, \n & TINY2/1D-11/,NDIV/5/\nC\n DATA MOLAL/NIONS*0.0D0/, MOLALR/NPAIR*0.0D0/, GAMA/NPAIR*0.1D0/,\n & GAMOU/NPAIR*1D10/, GAMIN/NPAIR*1D10/, CALAIN/.TRUE./,\n & CALAOU/.TRUE./, EPSACT/5D-2/, ICLACT/0/,\n & IACALC/1/, NADJ/1/, WFTYP/2/\nC\n DATA ERRSTK/NERRMX*0/, ERRMSG/NERRMX*' '/, NOFER/0/, \n & STKOFL/.FALSE./ \nC\n DATA IPROB/0/, METSTBL/0/\nC\n DATA VERSION /'2.1 (07/19/09)'/\nC\nC *** OTHER PARAMETERS ***********************************************\nC\n DATA SMW/58.5,142.,85.0,132.,80.0,53.5,98.0,98.0,115.,63.0,\n & 36.5,120.,247.,136.1,164.,111.,174.2,136.1,101.1,74.5,\n & 120.3,148.3,95.2/\n & IMW/ 1.0,23.0,18.0,35.5,96.0,97.0,62.0,40.1,39.1,24.3/\n & WMW/23.0,98.0,17.0,63.0,36.5,40.1,39.1,24.3/\nC\n DATA ZZ /1,2,1,2,1,1,2,1,1,1,1,1,2,4,2,2,2,1,1,1,4,2,2/\n & Z /1,1,1,1,2,1,1,2,1,2/\nC\nC *** ZSR RELATIONSHIP PARAMETERS **************************************\nC\nC awas= ammonium sulfate\nC\n DATA AWAS/10*187.72,\n & 158.13,134.41,115.37,100.10, 87.86, 78.00, 70.00, 63.45, 58.02,\n & 53.46,\n & 49.59, 46.26, 43.37, 40.84, 38.59, 36.59, 34.79, 33.16, 31.67,\n & 30.31,\n & 29.07, 27.91, 26.84, 25.84, 24.91, 24.03, 23.21, 22.44, 21.70,\n & 21.01,\n & 20.34, 19.71, 19.11, 18.54, 17.99, 17.46, 16.95, 16.46, 15.99,\n & 15.54,\n & 15.10, 14.67, 14.26, 13.86, 13.47, 13.09, 12.72, 12.36, 12.01,\n & 11.67,\n & 11.33, 11.00, 10.68, 10.37, 10.06, 9.75, 9.45, 9.15, 8.86,\n & 8.57,\n & 8.29, 8.01, 7.73, 7.45, 7.18, 6.91, 6.64, 6.37, 6.10,\n & 5.83,\n & 5.56, 5.29, 5.02, 4.74, 4.47, 4.19, 3.91, 3.63, 3.34,\n & 3.05,\n & 2.75, 2.45, 2.14, 1.83, 1.51, 1.19, 0.87, 0.56, 0.26,\n & 0.1/\nC\nC awsn= sodium nitrate\nC\n DATA AWSN/10*394.54,\n & 338.91,293.01,254.73,222.61,195.56,172.76,153.53,137.32,123.65,\n & 112.08,\n & 102.26, 93.88, 86.68, 80.45, 75.02, 70.24, 66.02, 62.26, 58.89,\n & 55.85,\n & 53.09, 50.57, 48.26, 46.14, 44.17, 42.35, 40.65, 39.06, 37.57,\n & 36.17,\n & 34.85, 33.60, 32.42, 31.29, 30.22, 29.20, 28.22, 27.28, 26.39,\n & 25.52,\n & 24.69, 23.89, 23.12, 22.37, 21.65, 20.94, 20.26, 19.60, 18.96,\n & 18.33,\n & 17.72, 17.12, 16.53, 15.96, 15.40, 14.85, 14.31, 13.78, 13.26,\n & 12.75,\n & 12.25, 11.75, 11.26, 10.77, 10.29, 9.82, 9.35, 8.88, 8.42,\n & 7.97,\n & 7.52, 7.07, 6.62, 6.18, 5.75, 5.32, 4.89, 4.47, 4.05,\n & 3.64,\n & 3.24, 2.84, 2.45, 2.07, 1.70, 1.34, 0.99, 0.65, 0.31,\n & 0.1/\nC\nC awsc= sodium chloride\nC\n DATA AWSC/10*28.16,\n & 27.17, 26.27, 25.45, 24.69, 23.98, 23.33, 22.72, 22.14, 21.59,\n & 21.08,\n & 20.58, 20.12, 19.67, 19.24, 18.82, 18.43, 18.04, 17.67, 17.32,\n & 16.97,\n & 16.63, 16.31, 15.99, 15.68, 15.38, 15.08, 14.79, 14.51, 14.24,\n & 13.97,\n & 13.70, 13.44, 13.18, 12.93, 12.68, 12.44, 12.20, 11.96, 11.73,\n & 11.50,\n & 11.27, 11.05, 10.82, 10.60, 10.38, 10.16, 9.95, 9.74, 9.52,\n & 9.31,\n & 9.10, 8.89, 8.69, 8.48, 8.27, 8.07, 7.86, 7.65, 7.45,\n & 7.24,\n & 7.04, 6.83, 6.62, 6.42, 6.21, 6.00, 5.79, 5.58, 5.36,\n & 5.15,\n & 4.93, 4.71, 4.48, 4.26, 4.03, 3.80, 3.56, 3.32, 3.07,\n & 2.82,\n & 2.57, 2.30, 2.04, 1.76, 1.48, 1.20, 0.91, 0.61, 0.30,\n & 0.1/\nC\nC awac= ammonium chloride\nC\n DATA AWAC/10*1209.00,\n & 1067.60,949.27,848.62,761.82,686.04,619.16,559.55,505.92,457.25,\n & 412.69,\n & 371.55,333.21,297.13,262.81,229.78,197.59,165.98,135.49,108.57,\n & 88.29,\n & 74.40, 64.75, 57.69, 52.25, 47.90, 44.30, 41.27, 38.65, 36.36,\n & 34.34,\n & 32.52, 30.88, 29.39, 28.02, 26.76, 25.60, 24.51, 23.50, 22.55,\n & 21.65,\n & 20.80, 20.00, 19.24, 18.52, 17.83, 17.17, 16.54, 15.93, 15.35,\n & 14.79,\n & 14.25, 13.73, 13.22, 12.73, 12.26, 11.80, 11.35, 10.92, 10.49,\n & 10.08,\n & 9.67, 9.28, 8.89, 8.51, 8.14, 7.77, 7.42, 7.06, 6.72,\n & 6.37,\n & 6.03, 5.70, 5.37, 5.05, 4.72, 4.40, 4.08, 3.77, 3.45,\n & 3.14,\n & 2.82, 2.51, 2.20, 1.89, 1.57, 1.26, 0.94, 0.62, 0.31,\n & 0.1/\nC\nC awss= sodium sulfate\nC\n DATA AWSS/10*24.10,\n & 23.17, 22.34, 21.58, 20.90, 20.27, 19.69, 19.15, 18.64, 18.17,\n & 17.72,\n & 17.30, 16.90, 16.52, 16.16, 15.81, 15.48, 15.16, 14.85, 14.55,\n & 14.27,\n & 13.99, 13.73, 13.47, 13.21, 12.97, 12.73, 12.50, 12.27, 12.05,\n & 11.84,\n & 11.62, 11.42, 11.21, 11.01, 10.82, 10.63, 10.44, 10.25, 10.07,\n & 9.89,\n & 9.71, 9.53, 9.36, 9.19, 9.02, 8.85, 8.68, 8.51, 8.35,\n & 8.19,\n & 8.02, 7.86, 7.70, 7.54, 7.38, 7.22, 7.06, 6.90, 6.74,\n & 6.58,\n & 6.42, 6.26, 6.10, 5.94, 5.78, 5.61, 5.45, 5.28, 5.11,\n & 4.93,\n & 4.76, 4.58, 4.39, 4.20, 4.01, 3.81, 3.60, 3.39, 3.16,\n & 2.93,\n & 2.68, 2.41, 2.13, 1.83, 1.52, 1.19, 0.86, 0.54, 0.25,\n & 0.1/\nC\nC awab= ammonium bisulfate\nC\n DATA AWAB/10*312.84,\n & 271.43,237.19,208.52,184.28,163.64,145.97,130.79,117.72,106.42,\n & 96.64,\n & 88.16, 80.77, 74.33, 68.67, 63.70, 59.30, 55.39, 51.89, 48.76,\n & 45.93,\n & 43.38, 41.05, 38.92, 36.97, 35.18, 33.52, 31.98, 30.55, 29.22,\n & 27.98,\n & 26.81, 25.71, 24.67, 23.70, 22.77, 21.90, 21.06, 20.27, 19.52,\n & 18.80,\n & 18.11, 17.45, 16.82, 16.21, 15.63, 15.07, 14.53, 14.01, 13.51,\n & 13.02,\n & 12.56, 12.10, 11.66, 11.24, 10.82, 10.42, 10.04, 9.66, 9.29,\n & 8.93,\n & 8.58, 8.24, 7.91, 7.58, 7.26, 6.95, 6.65, 6.35, 6.05,\n & 5.76,\n & 5.48, 5.20, 4.92, 4.64, 4.37, 4.09, 3.82, 3.54, 3.27,\n & 2.99,\n & 2.70, 2.42, 2.12, 1.83, 1.52, 1.22, 0.90, 0.59, 0.28,\n & 0.1/\nC\nC awsa= sulfuric acid\nC\n DATA AWSA/34.00, 33.56, 29.22, 26.55, 24.61, 23.11, 21.89, 20.87,\n & 19.99, 18.45,\n & 17.83, 17.26, 16.73, 16.25, 15.80, 15.38, 14.98, 14.61, 14.26,\n & 13.93,\n & 13.61, 13.30, 13.01, 12.73, 12.47, 12.21, 11.96, 11.72, 11.49,\n & 11.26,\n & 11.04, 10.83, 10.62, 10.42, 10.23, 10.03, 9.85, 9.67, 9.49,\n & 9.31,\n & 9.14, 8.97, 8.81, 8.65, 8.49, 8.33, 8.18, 8.02, 7.87,\n & 7.73,\n & 7.58, 7.44, 7.29, 7.15, 7.01, 6.88, 6.74, 6.61, 6.47,\n & 6.34,\n & 6.21, 6.07, 5.94, 5.81, 5.68, 5.55, 5.43, 5.30, 5.17,\n & 5.04,\n & 4.91, 4.78, 4.65, 4.52, 4.39, 4.26, 4.13, 4.00, 3.86,\n & 3.73,\n & 3.59, 3.45, 3.31, 3.17, 3.02, 2.87, 2.71, 2.56, 2.39,\n & 2.22,\n & 2.05, 1.87, 1.68, 1.48, 1.27, 1.04, 0.80, 0.55, 0.28,\n & 0.1/\nC\nC awlc= (NH4)3H(SO4)2\nC\n DATA AWLC/10*125.37,\n & 110.10, 97.50, 86.98, 78.08, 70.49, 63.97, 58.33, 53.43, 49.14,\n & 45.36,\n & 42.03, 39.07, 36.44, 34.08, 31.97, 30.06, 28.33, 26.76, 25.32,\n & 24.01,\n & 22.81, 21.70, 20.67, 19.71, 18.83, 18.00, 17.23, 16.50, 15.82,\n & 15.18,\n & 14.58, 14.01, 13.46, 12.95, 12.46, 11.99, 11.55, 11.13, 10.72,\n & 10.33,\n & 9.96, 9.60, 9.26, 8.93, 8.61, 8.30, 8.00, 7.72, 7.44,\n & 7.17,\n & 6.91, 6.66, 6.42, 6.19, 5.96, 5.74, 5.52, 5.31, 5.11,\n & 4.91,\n & 4.71, 4.53, 4.34, 4.16, 3.99, 3.81, 3.64, 3.48, 3.31,\n & 3.15,\n & 2.99, 2.84, 2.68, 2.53, 2.37, 2.22, 2.06, 1.91, 1.75,\n & 1.60,\n & 1.44, 1.28, 1.12, 0.95, 0.79, 0.62, 0.45, 0.29, 0.14,\n & 0.1/\nC\nC awan= ammonium nitrate\nC\n DATA AWAN/10*960.19,\n & 853.15,763.85,688.20,623.27,566.92,517.54,473.91,435.06,400.26,\n & 368.89,\n & 340.48,314.63,291.01,269.36,249.46,231.11,214.17,198.50,184.00,\n & 170.58,\n & 158.15,146.66,136.04,126.25,117.24,108.97,101.39, 94.45, 88.11,\n & 82.33,\n & 77.06, 72.25, 67.85, 63.84, 60.16, 56.78, 53.68, 50.81, 48.17,\n & 45.71,\n & 43.43, 41.31, 39.32, 37.46, 35.71, 34.06, 32.50, 31.03, 29.63,\n & 28.30,\n & 27.03, 25.82, 24.67, 23.56, 22.49, 21.47, 20.48, 19.53, 18.61,\n & 17.72,\n & 16.86, 16.02, 15.20, 14.41, 13.64, 12.89, 12.15, 11.43, 10.73,\n & 10.05,\n & 9.38, 8.73, 8.09, 7.47, 6.86, 6.27, 5.70, 5.15, 4.61,\n & 4.09,\n & 3.60, 3.12, 2.66, 2.23, 1.81, 1.41, 1.03, 0.67, 0.32,\n & 0.1/\nC\nC awsb= sodium bisulfate\nC\n DATA AWSB/10*55.99,\n & 53.79, 51.81, 49.99, 48.31, 46.75, 45.28, 43.91, 42.62, 41.39,\n & 40.22,\n & 39.10, 38.02, 36.99, 36.00, 35.04, 34.11, 33.21, 32.34, 31.49,\n & 30.65,\n & 29.84, 29.04, 28.27, 27.50, 26.75, 26.01, 25.29, 24.57, 23.87,\n & 23.17,\n & 22.49, 21.81, 21.15, 20.49, 19.84, 19.21, 18.58, 17.97, 17.37,\n & 16.77,\n & 16.19, 15.63, 15.08, 14.54, 14.01, 13.51, 13.01, 12.53, 12.07,\n & 11.62,\n & 11.19, 10.77, 10.36, 9.97, 9.59, 9.23, 8.87, 8.53, 8.20,\n & 7.88,\n & 7.57, 7.27, 6.97, 6.69, 6.41, 6.14, 5.88, 5.62, 5.36,\n & 5.11,\n & 4.87, 4.63, 4.39, 4.15, 3.92, 3.68, 3.45, 3.21, 2.98,\n & 2.74,\n & 2.49, 2.24, 1.98, 1.72, 1.44, 1.16, 0.87, 0.57, 0.28,\n & 0.1/\nC\nC awpc= potassium chloride\nC\n DATA AWPC/172.62, 165.75, 159.10, 152.67, 146.46, 140.45, 134.64,\n & 129.03, 123.61, 118.38, 113.34, 108.48, 103.79, 99.27,\n & 94.93, 90.74, 86.71, 82.84, 79.11, 75.53, 72.09, 68.79,\n & 65.63, 62.59, 59.68, 56.90, 54.23, 51.68, 49.24, 46.91,\n & 44.68, 42.56, 40.53, 38.60, 36.76, 35.00, 33.33, 31.75,\n & 30.24, 28.81, 27.45, 26.16, 24.94, 23.78, 22.68, 21.64,\n & 20.66, 19.74, 18.86, 18.03, 17.25, 16.51, 15.82, 15.16,\n & 14.54, 13.96, 13.41, 12.89, 12.40, 11.94, 11.50, 11.08,\n & 10.69, 10.32, 9.96, 9.62, 9.30, 8.99, 8.69, 8.40, 8.12,\n & 7.85, 7.59, 7.33, 7.08, 6.83, 6.58, 6.33, 6.08, 5.84,\n & 5.59, 5.34, 5.09, 4.83, 4.57, 4.31, 4.04, 3.76, 3.48,\n & 3.19, 2.90, 2.60, 2.29, 1.98, 1.66, 1.33, 0.99, 0.65,\n & 0.30, 0.1/\nC\nC awps= potassium sulfate\nC\n DATA AWPS/1014.82, 969.72, 926.16, 884.11, 843.54, 804.41, 766.68,\n & 730.32, 695.30, 661.58, 629.14, 597.93, 567.92, 539.09,\n & 511.41, 484.83, 459.34, 434.89, 411.47, 389.04, 367.58,\n & 347.05, 327.43, 308.69, 290.80, 273.73, 257.47, 241.98,\n & 227.24, 213.22, 199.90, 187.26, 175.27, 163.91, 153.15,\n & 142.97, 133.36, 124.28, 115.73, 107.66, 100.08, 92.95,\n & 86.26, 79.99, 74.12, 68.63, 63.50, 58.73, 54.27, 50.14,\n & 46.30, 42.74, 39.44, 36.40, 33.59, 31.00, 28.63, 26.45,\n & 24.45, 22.62, 20.95, 19.43, 18.05, 16.79, 15.64, 14.61,\n & 13.66, 12.81, 12.03, 11.33, 10.68, 10.09, 9.55, 9.06,\n & 8.60, 8.17, 7.76, 7.38, 7.02, 6.66, 6.32, 5.98, 5.65,\n & 5.31, 4.98, 4.64, 4.31, 3.96, 3.62, 3.27, 2.92, 2.57,\n & 2.22, 1.87, 1.53, 1.20, 0.87, 0.57, 0.28, 0.1/\nC\nC awpn= potassium nitrate\nC\n DATA AWPN/44*1000.00, 953.05, 881.09, 813.39,\n & 749.78, 690.09, 634.14, 581.77, 532.83, 487.16, 444.61,\n & 405.02, 368.26, 334.18, 302.64, 273.51, 246.67, 221.97,\n & 199.31, 178.56, 159.60, 142.33, 126.63, 112.40, 99.54,\n & 87.96, 77.55, 68.24, 59.92, 52.53, 45.98, 40.2, 35.11,\n & 30.65, 26.75, 23.35, 20.40, 17.85, 15.63, 13.72, 12.06,\n & 10.61, 9.35, 8.24, 7.25, 6.37, 5.56, 4.82, 4.12, 3.47,\n & 2.86, 2.28, 1.74, 1.24, 0.79, 0.40, 0.1/\nC\nC awpb= potassium bisulfate\nC\n DATA AWPB/10*55.99,\n & 53.79, 51.81, 49.99, 48.31, 46.75, 45.28, 43.91, 42.62, 41.39,\n & 40.22,\n & 39.10, 38.02, 36.99, 36.00, 35.04, 34.11, 33.21, 32.34, 31.49,\n & 30.65,\n & 29.84, 29.04, 28.27, 27.50, 26.75, 26.01, 25.29, 24.57, 23.87,\n & 23.17,\n & 22.49, 21.81, 21.15, 20.49, 19.84, 19.21, 18.58, 17.97, 17.37,\n & 16.77,\n & 16.19, 15.63, 15.08, 14.54, 14.01, 13.51, 13.01, 12.53, 12.07,\n & 11.62,\n & 11.19, 10.77, 10.36, 9.97, 9.59, 9.23, 8.87, 8.53, 8.20,\n & 7.88,\n & 7.57, 7.27, 6.97, 6.69, 6.41, 6.14, 5.88, 5.62, 5.36,\n & 5.11,\n & 4.87, 4.63, 4.39, 4.15, 3.92, 3.68, 3.45, 3.21, 2.98,\n & 2.74,\n & 2.49, 2.24, 1.98, 1.72, 1.44, 1.16, 0.87, 0.57, 0.28,\n & 0.1/\nC\nC awcc= calcium chloride\nC\n DATA AWCC/19.9, 19.0, 18.15, 17.35, 16.6, 15.89, 15.22, 14.58,\n & 13.99, 13.43, 12.90, 12.41, 11.94, 11.50, 11.09, 10.7,\n & 10.34, 9.99, 9.67, 9.37, 9.09, 8.83, 8.57, 8.34, 8.12,\n & 7.91, 7.71, 7.53, 7.35, 7.19, 7.03, 6.88, 6.74, 6.6,\n & 6.47, 6.35, 6.23, 6.12, 6.01, 5.90, 5.80, 5.70, 5.61,\n & 5.51, 5.42, 5.33, 5.24, 5.16, 5.07, 4.99, 4.91, 4.82,\n & 4.74, 4.66, 4.58, 4.50, 4.42, 4.34, 4.26, 4.19, 4.11,\n & 4.03, 3.95, 3.87, 3.79, 3.72, 3.64, 3.56, 3.48, 3.41,\n & 3.33, 3.25, 3.17, 3.09, 3.01, 2.93, 2.85, 2.76, 2.68,\n & 2.59, 2.50, 2.41, 2.32, 2.23, 2.13, 2.03, 1.93, 1.82,\n & 1.71, 1.59, 1.47, 1.35, 1.22, 1.07, 0.93, 0.77, 0.61,\n & 0.44, 0.25, 0.1/\nC\nC awcn= calcium nitrate\nC\n DATA AWCN/32.89, 31.46, 30.12, 28.84, 27.64, 26.51, 25.44, 24.44,\n & 23.49, 22.59, 21.75, 20.96, 20.22, 19.51, 18.85, 18.23,\n & 17.64, 17.09, 16.56, 16.07, 15.61, 15.17, 14.75, 14.36,\n & 13.99, 13.63, 13.3, 12.98, 12.68, 12.39, 12.11, 11.84,\n & 11.59, 11.35, 11.11, 10.88, 10.66, 10.45, 10.24, 10.04,\n & 9.84, 9.65, 9.46, 9.28, 9.1, 8.92, 8.74, 8.57, 8.4,\n & 8.23, 8.06, 7.9, 7.73, 7.57, 7.41, 7.25, 7.1,6.94, 6.79,\n & 6.63, 6.48, 6.33, 6.18, 6.03, 5.89, 5.74, 5.60, 5.46,\n & 5.32, 5.17, 5.04, 4.9, 4.76, 4.62, 4.49, 4.35, 4.22,\n & 4.08, 3.94, 3.80, 3.66, 3.52, 3.38, 3.23, 3.08, 2.93,\n & 2.77, 2.60, 2.43, 2.25, 2.07, 1.87, 1.67, 1.45, 1.22,\n & 0.97, 0.72, 0.44, 0.14, 0.1/\nC\nC awmc= magnesium chloride\nC\n DATA AWMC/11.24, 10.99, 10.74, 10.5, 10.26, 10.03, 9.81, 9.59,\n & 9.38, 9.18, 8.98, 8.79, 8.60, 8.42, 8.25, 8.07, 7.91,\n & 7.75, 7.59, 7.44, 7.29, 7.15, 7.01, 6.88, 6.75, 6.62,\n & 6.5, 6.38, 6.27, 6.16, 6.05, 5.94, 5.85, 5.75, 5.65,\n & 5.56, 5.47, 5.38, 5.30, 5.22, 5.14, 5.06, 4.98, 4.91,\n & 4.84, 4.77, 4.7, 4.63, 4.57, 4.5, 4.44, 4.37, 4.31,\n & 4.25, 4.19, 4.13, 4.07, 4.01, 3.95, 3.89, 3.83, 3.77,\n & 3.71, 3.65, 3.58, 3.52, 3.46, 3.39, 3.33, 3.26, 3.19,\n & 3.12, 3.05, 2.98, 2.9, 2.82, 2.75, 2.67, 2.58, 2.49,\n & 2.41, 2.32, 2.22, 2.13, 2.03, 1.92, 1.82, 1.71, 1.60,\n & 1.48, 1.36, 1.24, 1.11, 0.98, 0.84, 0.70, 0.56, 0.41,\n & 0.25, 0.1/\nC\nC awmn= magnesium nitrate\nC\n DATA AWMN/12.00, 11.84, 11.68, 11.52, 11.36, 11.2, 11.04, 10.88,\n & 10.72, 10.56, 10.40, 10.25, 10.09, 9.93, 9.78, 9.63,\n & 9.47, 9.32, 9.17, 9.02, 8.87, 8.72, 8.58, 8.43, 8.29,\n & 8.15, 8.01, 7.87, 7.73, 7.59, 7.46, 7.33, 7.2, 7.07,\n & 6.94, 6.82, 6.69, 6.57, 6.45, 6.33, 6.21, 6.01, 5.98,\n & 5.87, 5.76, 5.65, 5.55, 5.44, 5.34, 5.24, 5.14, 5.04,\n & 4.94, 4.84, 4.75, 4.66, 4.56, 4.47, 4.38, 4.29, 4.21,\n & 4.12, 4.03, 3.95, 3.86, 3.78, 3.69, 3.61, 3.53, 3.45,\n & 3.36, 3.28, 3.19, 3.11, 3.03, 2.94, 2.85, 2.76, 2.67,\n & 2.58, 2.49, 2.39, 2.3, 2.2, 2.1, 1.99, 1.88, 1.77, 1.66,\n & 1.54, 1.42, 1.29, 1.16, 1.02, 0.88, 0.73, 0.58, 0.42,\n & 0.25, 0.1/\nC\nC awmn= magnesium sulfate\nC\n DATA AWMS/0.93, 2.5, 3.94, 5.25, 6.45, 7.54, 8.52, 9.40, 10.19,\n & 10.89, 11.50, 12.04, 12.51, 12.90, 13.23, 13.50, 13.72,\n & 13.88, 13.99, 14.07, 14.1, 14.09, 14.05, 13.98, 13.88,\n & 13.75, 13.6, 13.43, 13.25, 13.05, 12.83, 12.61, 12.37,\n & 12.13, 11.88, 11.63, 11.37, 11.12, 10.86, 10.60, 10.35,\n & 10.09, 9.85, 9.6, 9.36, 9.13, 8.9, 8.68, 8.47, 8.26,\n & 8.07, 7.87, 7.69, 7.52, 7.35, 7.19, 7.03, 6.89, 6.75,\n & 6.62, 6.49, 6.37, 6.26, 6.15, 6.04, 5.94, 5.84, 5.75,\n & 5.65, 5.56, 5.47, 5.38, 5.29, 5.20, 5.11, 5.01, 4.92,\n & 4.82, 4.71, 4.60, 4.49, 4.36, 4.24, 4.10, 3.96, 3.81,\n & 3.65, 3.48, 3.30, 3.11, 2.92, 2.71, 2.49, 2.26, 2.02,\n & 1.76, 1.50, 1.22, 0.94, 0.64/\nC\nC *** ZSR RELATIONSHIP PARAMETERS **************************************\nC\nC awas= ammonium sulfate\nC\nC DATA AWAS/33*100.,30,30,30,29.54,28.25,27.06,25.94,\nC & 24.89,23.90,22.97,22.10,21.27,20.48,19.73,19.02,18.34,17.69,\nC & 17.07,16.48,15.91,15.37,14.85,14.34,13.86,13.39,12.94,12.50,\nC & 12.08,11.67,11.27,10.88,10.51,10.14, 9.79, 9.44, 9.10, 8.78,\nC & 8.45, 8.14, 7.83, 7.53, 7.23, 6.94, 6.65, 6.36, 6.08, 5.81,\nC & 5.53, 5.26, 4.99, 4.72, 4.46, 4.19, 3.92, 3.65, 3.38, 3.11,\nC & 2.83, 2.54, 2.25, 1.95, 1.63, 1.31, 0.97, 0.63, 0.30, 0.001/\nC\nC awsn= sodium nitrate\nC\nC DATA AWSN/ 9*1.e5,685.59,\nC & 451.00,336.46,268.48,223.41,191.28,\nC & 167.20,148.46,133.44,121.12,110.83,\nC & 102.09,94.57,88.03,82.29,77.20,72.65,68.56,64.87,61.51,58.44,\nC & 55.62,53.03,50.63,48.40,46.32,44.39,42.57,40.87,39.27,37.76,\nC & 36.33,34.98,33.70,32.48,31.32,30.21,29.16,28.14,27.18,26.25,\nC & 25.35,24.50,23.67,22.87,22.11,21.36,20.65,19.95,19.28,18.62,\nC & 17.99,17.37,16.77,16.18,15.61,15.05,14.51,13.98,13.45,12.94,\nC & 12.44,11.94,11.46,10.98,10.51,10.04, 9.58, 9.12, 8.67, 8.22,\nC & 7.77, 7.32, 6.88, 6.43, 5.98, 5.53, 5.07, 4.61, 4.15, 3.69,\nC & 3.22, 2.76, 2.31, 1.87, 1.47, 1.10, 0.77, 0.48, 0.23, 0.001/\nC\nC awsc= sodium chloride\nC\nC DATA AWSC/\nC & 100., 100., 100., 100., 100., 100., 100., 100., 100., 100.,\nC & 100., 100., 100., 100., 100., 100., 100., 100., 100.,16.34,\nC & 16.28,16.22,16.15,16.09,16.02,15.95,15.88,15.80,15.72,15.64,\nC & 15.55,15.45,15.36,15.25,15.14,15.02,14.89,14.75,14.60,14.43,\nC & 14.25,14.04,13.81,13.55,13.25,12.92,12.56,12.19,11.82,11.47,\nC & 11.13,10.82,10.53,10.26,10.00, 9.76, 9.53, 9.30, 9.09, 8.88,\nC & 8.67, 8.48, 8.28, 8.09, 7.90, 7.72, 7.54, 7.36, 7.17, 6.99,\nC & 6.81, 6.63, 6.45, 6.27, 6.09, 5.91, 5.72, 5.53, 5.34, 5.14,\nC & 4.94, 4.74, 4.53, 4.31, 4.09, 3.86, 3.62, 3.37, 3.12, 2.85,\nC & 2.58, 2.30, 2.01, 1.72, 1.44, 1.16, 0.89, 0.64, 0.40, 0.18/\nC\nC awac= ammonium chloride\nC\nC DATA AWAC/\nC & 100., 100., 100., 100., 100., 100., 100., 100., 100., 100.,\nC & 100., 100., 100., 100., 100., 100., 100., 100., 100.,31.45,\nC & 31.30,31.14,30.98,30.82,30.65,30.48,30.30,30.11,29.92,29.71,\nC & 29.50,29.29,29.06,28.82,28.57,28.30,28.03,27.78,27.78,27.77,\nC & 27.77,27.43,27.07,26.67,26.21,25.73,25.18,24.56,23.84,23.01,\nC & 22.05,20.97,19.85,18.77,17.78,16.89,16.10,15.39,14.74,14.14,\nC & 13.59,13.06,12.56,12.09,11.65,11.22,10.81,10.42,10.03, 9.66,\nC & 9.30, 8.94, 8.59, 8.25, 7.92, 7.59, 7.27, 6.95, 6.63, 6.32,\nC & 6.01, 5.70, 5.39, 5.08, 4.78, 4.47, 4.17, 3.86, 3.56, 3.25,\nC & 2.94, 2.62, 2.30, 1.98, 1.65, 1.32, 0.97, 0.62, 0.26, 0.13/\nC\nC awss= sodium sulfate\nC\nC DATA AWSS/34*1.e5,23*14.30,14.21,12.53,11.47,\nC & 10.66,10.01, 9.46, 8.99, 8.57, 8.19, 7.85, 7.54, 7.25, 6.98,\nC & 6.74, 6.50, 6.29, 6.08, 5.88, 5.70, 5.52, 5.36, 5.20, 5.04,\nC & 4.90, 4.75, 4.54, 4.34, 4.14, 3.93, 3.71, 3.49, 3.26, 3.02,\nC & 2.76, 2.49, 2.20, 1.89, 1.55, 1.18, 0.82, 0.49, 0.22, 0.001/\nC\nC awab= ammonium bisulfate\nC\nC DATA AWAB/356.45,296.51,253.21,220.47,194.85,\nC & 174.24,157.31,143.16,131.15,120.82,\nC & 111.86,103.99,97.04,90.86,85.31,80.31,75.78,71.66,67.90,64.44,\nC & 61.25,58.31,55.58,53.04,50.68,48.47,46.40,44.46,42.63,40.91,\nC & 39.29,37.75,36.30,34.92,33.61,32.36,31.18,30.04,28.96,27.93,\nC & 26.94,25.99,25.08,24.21,23.37,22.57,21.79,21.05,20.32,19.63,\nC & 18.96,18.31,17.68,17.07,16.49,15.92,15.36,14.83,14.31,13.80,\nC & 13.31,12.83,12.36,11.91,11.46,11.03,10.61,10.20, 9.80, 9.41,\nC & 9.02, 8.64, 8.28, 7.91, 7.56, 7.21, 6.87, 6.54, 6.21, 5.88,\nC & 5.56, 5.25, 4.94, 4.63, 4.33, 4.03, 3.73, 3.44, 3.14, 2.85,\nC & 2.57, 2.28, 1.99, 1.71, 1.42, 1.14, 0.86, 0.57, 0.29, 0.001/\nC\nC awsa= sulfuric acid\nC\nC DATA AWSA/\nC & 34.0,33.56,29.22,26.55,24.61,23.11,21.89,20.87,19.99,\nC & 19.21,18.51,17.87,17.29,16.76,16.26,15.8,15.37,14.95,14.56,\nC & 14.20,13.85,13.53,13.22,12.93,12.66,12.40,12.14,11.90,11.67,\nC & 11.44,11.22,11.01,10.8,10.60,10.4,10.2,10.01,9.83,9.65,9.47,\nC & 9.3,9.13,8.96,8.81,8.64,8.48,8.33,8.17,8.02,7.87,7.72,7.58,\nC & 7.44,7.30,7.16,7.02,6.88,6.75,6.61,6.48,6.35,6.21,6.08,5.95,\nC & 5.82,5.69,5.56,5.44,5.31,5.18,5.05,4.92,4.79,4.66,4.53,4.40,\nC & 4.27,4.14,4.,3.87,3.73,3.6,3.46,3.31,3.17,3.02,2.87,2.72,\nC & 2.56,2.4,2.23,2.05,1.87,1.68,1.48,1.27,1.05,0.807,0.552,0.281/\nC\nC awlc= (NH4)3H(SO4)2\nC\nC DATA AWLC/34*1.e5,17.0,16.5,15.94,15.31,14.71,14.14,\nC & 13.60,13.08,12.59,12.12,11.68,11.25,10.84,10.44,10.07, 9.71,\nC & 9.36, 9.02, 8.70, 8.39, 8.09, 7.80, 7.52, 7.25, 6.99, 6.73,\nC & 6.49, 6.25, 6.02, 5.79, 5.57, 5.36, 5.15, 4.95, 4.76, 4.56,\nC & 4.38, 4.20, 4.02, 3.84, 3.67, 3.51, 3.34, 3.18, 3.02, 2.87,\nC & 2.72, 2.57, 2.42, 2.28, 2.13, 1.99, 1.85, 1.71, 1.57, 1.43,\nC & 1.30, 1.16, 1.02, 0.89, 0.75, 0.61, 0.46, 0.32, 0.16, 0.001/\nC\nC awan= ammonium nitrate\nC\nC DATA AWAN/31*1.e5,\nC & 97.17,92.28,87.66,83.15,78.87,74.84,70.98,67.46,64.11,\nC & 60.98,58.07,55.37,52.85,50.43,48.24,46.19,44.26,42.40,40.70,\nC & 39.10,37.54,36.10,34.69,33.35,32.11,30.89,29.71,28.58,27.46,\nC & 26.42,25.37,24.33,23.89,22.42,21.48,20.56,19.65,18.76,17.91,\nC & 17.05,16.23,15.40,14.61,13.82,13.03,12.30,11.55,10.83,10.14,\nC & 9.44, 8.79, 8.13, 7.51, 6.91, 6.32, 5.75, 5.18, 4.65, 4.14,\nC & 3.65, 3.16, 2.71, 2.26, 1.83, 1.42, 1.03, 0.66, 0.30, 0.001/\nC\nC awsb= sodium bisulfate\nC\nC DATA AWSB/173.72,156.88,142.80,130.85,120.57,\nC & 111.64,103.80,96.88,90.71,85.18,\nC & 80.20,75.69,71.58,67.82,64.37,61.19,58.26,55.53,53.00,50.64,\nC & 48.44,46.37,44.44,42.61,40.90,39.27,37.74,36.29,34.91,33.61,\nC & 32.36,31.18,30.05,28.97,27.94,26.95,26.00,25.10,24.23,23.39,\nC & 22.59,21.81,21.07,20.35,19.65,18.98,18.34,17.71,17.11,16.52,\nC & 15.95,15.40,14.87,14.35,13.85,13.36,12.88,12.42,11.97,11.53,\nC & 11.10,10.69,10.28, 9.88, 9.49, 9.12, 8.75, 8.38, 8.03, 7.68,\nC & 7.34, 7.01, 6.69, 6.37, 6.06, 5.75, 5.45, 5.15, 4.86, 4.58,\nC & 4.30, 4.02, 3.76, 3.49, 3.23, 2.98, 2.73, 2.48, 2.24, 2.01,\nC & 1.78, 1.56, 1.34, 1.13, 0.92, 0.73, 0.53, 0.35, 0.17, 0.001/\nC\nC *** END OF BLOCK DATA SUBPROGRAM *************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE INIT1\nC *** THIS SUBROUTINE INITIALIZES ALL GLOBAL VARIABLES FOR AMMONIUM \nC SULFATE AEROSOL SYSTEMS (SUBROUTINE ISRP1)\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE INIT1 (WI, RHI, TEMPI)\n INCLUDE 'isrpia.inc'\n DIMENSION WI(NCOMP)\n REAL IC,GII,GI0,XX,LN10\n PARAMETER (LN10=2.3025851)\nC\nC *** SAVE INPUT VARIABLES IN COMMON BLOCK ******************************\nC\n IF (IPROB.EQ.0) THEN ! FORWARD CALCULATION\n DO 10 I=1,NCOMP\n W(I) = MAX(WI(I), TINY)\n10 CONTINUE\n ELSE\n DO 15 I=1,NCOMP ! REVERSE CALCULATION\n WAER(I) = MAX(WI(I), TINY)\n W(I) = ZERO\n15 CONTINUE\n ENDIF\n RH = RHI\n TEMP = TEMPI\nC\nC *** CALCULATE EQUILIBRIUM CONSTANTS ***********************************\nC\n XK1 = 1.015e-2 ! HSO4(aq) <==> H(aq) + SO4(aq)\n XK21 = 57.639 ! NH3(g) <==> NH3(aq)\n XK22 = 1.805e-5 ! NH3(aq) <==> NH4(aq) + OH(aq)\n XK7 = 1.817 ! (NH4)2SO4(s) <==> 2*NH4(aq) + SO4(aq)\n XK12 = 1.382e2 ! NH4HSO4(s) <==> NH4(aq) + HSO4(aq)\n XK13 = 29.268 ! (NH4)3H(SO4)2(s) <==> 3*NH4(aq) + HSO4(aq) + SO4(aq)\n XKW = 1.010e-14 ! H2O <==> H(aq) + OH(aq)\nC\n IF (INT(TEMP) .NE. 298) THEN ! FOR T != 298K or 298.15K\n T0 = 298.15\n T0T = T0/TEMP\n COEF= 1.0+LOG(T0T)-T0T\n XK1 = XK1 *EXP( 8.85*(T0T-1.0) + 25.140*COEF)\n XK21= XK21*EXP( 13.79*(T0T-1.0) - 5.393*COEF)\n XK22= XK22*EXP( -1.50*(T0T-1.0) + 26.920*COEF)\n XK7 = XK7 *EXP( -2.65*(T0T-1.0) + 38.570*COEF)\n XK12= XK12*EXP( -2.87*(T0T-1.0) + 15.830*COEF)\n XK13= XK13*EXP( -5.19*(T0T-1.0) + 54.400*COEF)\n XKW = XKW *EXP(-22.52*(T0T-1.0) + 26.920*COEF)\n ENDIF\n XK2 = XK21*XK22 \nC\nC *** CALCULATE DELIQUESCENCE RELATIVE HUMIDITIES (UNICOMPONENT) ********\nC\n DRH2SO4 = 0.0000D0\n DRNH42S4 = 0.7997D0\n DRNH4HS4 = 0.4000D0\n DRLC = 0.6900D0\n IF (INT(TEMP) .NE. 298) THEN\n T0 = 298.15d0\n TCF = 1.0/TEMP - 1.0/T0\n DRNH42S4 = DRNH42S4*EXP( 80.*TCF) \n DRNH4HS4 = DRNH4HS4*EXP(384.*TCF) \n DRLC = DRLC *EXP(186.*TCF) \n ENDIF\nC\nC *** CALCULATE MUTUAL DELIQUESCENCE RELATIVE HUMIDITIES ****************\nC\n DRMLCAB = 0.3780D0 ! (NH4)3H(SO4)2 & NH4HSO4 \n DRMLCAS = 0.6900D0 ! (NH4)3H(SO4)2 & (NH4)2SO4 \nCCC IF (INT(TEMP) .NE. 298) THEN ! For the time being.\nCCC T0 = 298.15d0\nCCC TCF = 1.0/TEMP - 1.0/T0\nCCC DRMLCAB = DRMLCAB*EXP(507.506*TCF) \nCCC DRMLCAS = DRMLCAS*EXP(133.865*TCF) \nCCC ENDIF\nC\nC *** LIQUID PHASE ******************************************************\nC\n CHNO3 = ZERO\n CHCL = ZERO\n CH2SO4 = ZERO\n COH = ZERO\n WATER = TINY\nC\n DO 20 I=1,NPAIR\n MOLALR(I)=ZERO\n GAMA(I) =0.1\n GAMIN(I) =GREAT\n GAMOU(I) =GREAT\n M0(I) =1d5\n 20 CONTINUE\nC\n DO 30 I=1,NPAIR\n GAMA(I) = 0.1d0\n 30 CONTINUE\nC\n DO 40 I=1,NIONS\n MOLAL(I)=ZERO\n40 CONTINUE\n COH = ZERO\nC\n DO 50 I=1,NGASAQ\n GASAQ(I)=ZERO\n50 CONTINUE\nC\nC *** SOLID PHASE *******************************************************\nC\n CNH42S4= ZERO\n CNH4HS4= ZERO\n CNACL = ZERO\n CNA2SO4= ZERO\n CNANO3 = ZERO\n CNH4NO3= ZERO\n CNH4CL = ZERO\n CNAHSO4= ZERO\n CLC = ZERO\n CCASO4 = ZERO\n CCANO32= ZERO\n CCACL2 = ZERO\n CK2SO4 = ZERO\n CKHSO4 = ZERO\n CKNO3 = ZERO\n CKCL = ZERO\n CMGSO4 = ZERO\n CMGNO32= ZERO\n CMGCL2 = ZERO\nC\nC *** GAS PHASE *********************************************************\nC\n GNH3 = ZERO\n GHNO3 = ZERO\n GHCL = ZERO\nC\nC *** CALCULATE ZSR PARAMETERS ******************************************\nC\n IRH = MIN (INT(RH*NZSR+0.5),NZSR) ! Position in ZSR arrays\n IRH = MAX (IRH, 1)\nC\nC M0(01) = AWSC(IRH) ! NACl\nC IF (M0(01) .LT. 100.0) THEN\nC IC = M0(01)\nC CALL KMTAB(IC,298.0, GI0,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,\nC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nC CALL KMTAB(IC,SNGL(TEMP),GII,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,\nC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nC M0(01) = M0(01)*EXP(LN10*(GI0-GII))\nC ENDIF\nCC\nC M0(02) = AWSS(IRH) ! (NA)2SO4\nC IF (M0(02) .LT. 100.0) THEN\nC IC = 3.0*M0(02)\nC CALL KMTAB(IC,298.0, XX,GI0,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,\nC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nC CALL KMTAB(IC,SNGL(TEMP),XX,GII,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,\nC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nC M0(02) = M0(02)*EXP(LN10*(GI0-GII))\nC ENDIF\nCC\nC M0(03) = AWSN(IRH) ! NANO3\nC IF (M0(03) .LT. 100.0) THEN\nC IC = M0(03)\nC CALL KMTAB(IC,298.0, XX,XX,GI0,XX,XX,XX,XX,XX,XX,XX,XX,XX,\nC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nC CALL KMTAB(IC,SNGL(TEMP),XX,XX,GII,XX,XX,XX,XX,XX,XX,XX,XX,XX,\nC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nC M0(03) = M0(03)*EXP(LN10*(GI0-GII))\nC ENDIF\nCC\n M0(04) = AWAS(IRH) ! (NH4)2SO4\nCC IF (M0(04) .LT. 100.0) THEN\nCC IC = 3.0*M0(04)\nC C CALL KMTAB(IC,298.0, XX,XX,XX,GI0,XX,XX,XX,XX,XX,XX,XX,XX,\nCC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nCC CALL KMTAB(IC,SNGL(TEMP),XX,XX,XX,GII,XX,XX,XX,XX,XX,XX,XX,XX,\nCC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nCC M0(04) = M0(04)*EXP(LN10*(GI0-GII))\nCC ENDIF\nC\nC M0(05) = AWAN(IRH) ! NH4NO3\nC IF (M0(05) .LT. 100.0) THEN\nC IC = M0(05)\nC CALL KMTAB(IC,298.0, XX,XX,XX,XX,GI0,XX,XX,XX,XX,XX,XX,XX,\nC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nC CALL KMTAB(IC,SNGL(TEMP),XX,XX,XX,XX,GII,XX,XX,XX,XX,XX,XX,XX,\nC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nC M0(05) = M0(05)*EXP(LN10*(GI0-GII))\nC ENDIF\nCC\nC M0(06) = AWAC(IRH) ! NH4CL\nC IF (M0(06) .LT. 100.0) THEN\nC IC = M0(06)\nC CALL KMTAB(IC,298.0, XX,XX,XX,XX,XX,GI0,XX,XX,XX,XX,XX,XX,\nC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nC CALL KMTAB(IC,SNGL(TEMP),XX,XX,XX,XX,XX,GII,XX,XX,XX,XX,XX,XX,\nC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nC M0(06) = M0(06)*EXP(LN10*(GI0-GII))\nC ENDIF\nC\n M0(07) = AWSA(IRH) ! 2H-SO4\nCC IF (M0(07) .LT. 100.0) THEN\nCC IC = 3.0*M0(07)\nCC CALL KMTAB(IC,298.0, XX,XX,XX,XX,XX,XX,GI0,XX,XX,XX,XX,XX,\nCC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nCC CALL KMTAB(IC,SNGL(TEMP),XX,XX,XX,XX,XX,XX,GII,XX,XX,XX,XX,XX,\nCC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nCC M0(07) = M0(07)*EXP(LN10*(GI0-GII))\nCC ENDIF\nC\n M0(08) = AWSA(IRH) ! H-HSO4\nCCC IF (M0(08) .LT. 100.0) THEN ! These are redundant, because M0(8) is not used\nCCC IC = M0(08)\nCCC CALL KMTAB(IC,298.0, XX,XX,XX,XX,XX,XX,XX,GI0,XX,XX,XX,XX)\nCCC CALL KMTAB(IC,SNGL(TEMP),XX,XX,XX,XX,XX,XX,XX,GI0,XX,XX,XX,XX)\nCCCCCC CALL KMTAB(IC,SNGL(TEMP),XX,XX,XX,XX,XX,XX,XX,GII,XX,XX,XX,XX)\nCCC M0(08) = M0(08)*EXP(LN10*(GI0-GII))\nCCC ENDIF\nC\n M0(09) = AWAB(IRH) ! NH4HSO4\nCC IF (M0(09) .LT. 100.0) THEN\nCC IC = M0(09)\nCC CALL KMTAB(IC,298.0, XX,XX,XX,XX,XX,XX,XX,XX,GI0,XX,XX,XX,\nCC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nCC CALL KMTAB(IC,SNGL(TEMP),XX,XX,XX,XX,XX,XX,XX,XX,GII,XX,XX,XX,\nCC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nCC M0(09) = M0(09)*EXP(LN10*(GI0-GII))\nCC ENDIF\nC\nC M0(12) = AWSB(IRH) ! NAHSO4\nC IF (M0(12) .LT. 100.0) THEN\nC IC = M0(12)\nC CALL KMTAB(IC,298.0, XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,GI0,\nC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nC CALL KMTAB(IC,SNGL(TEMP),XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,GII,\nC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nC M0(12) = M0(12)*EXP(LN10*(GI0-GII))\nC ENDIF\nC\n M0(13) = AWLC(IRH) ! (NH4)3H(SO4)2\nCC IF (M0(13) .LT. 100.0) THEN\nCC IC = 4.0*M0(13)\nCC CALL KMTAB(IC,298.0, XX,XX,XX,GI0,XX,XX,XX,XX,GII,XX,XX,XX,\nCC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nCC G130 = 0.2*(3.0*GI0+2.0*GII)\nCC CALL KMTAB(IC,SNGL(TEMP),XX,XX,XX,GI0,XX,XX,XX,XX,GII,XX,XX,XX,\nCC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nCC G13I = 0.2*(3.0*GI0+2.0*GII)\nCC M0(13) = M0(13)*EXP(LN10*SNGL(G130-G13I))\nCC ENDIF\nC\nC *** OTHER INITIALIZATIONS *********************************************\nC\n ICLACT = 0\n CALAOU = .TRUE.\n CALAIN = .TRUE.\n FRST = .TRUE.\n SCASE = '??'\n SULRATW = 2.D0\n SODRAT = ZERO\n CRNARAT = ZERO\n CRRAT = ZERO\n NOFER = 0\n STKOFL =.FALSE.\n DO 60 I=1,NERRMX\n ERRSTK(I) =-999\n ERRMSG(I) = 'MESSAGE N/A'\n 60 CONTINUE\nC\nC *** END OF SUBROUTINE INIT1 *******************************************\nC\n END\n\n\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE INIT2\nC *** THIS SUBROUTINE INITIALIZES ALL GLOBAL VARIABLES FOR AMMONIUM,\nC NITRATE, SULFATE AEROSOL SYSTEMS (SUBROUTINE ISRP2)\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE INIT2 (WI, RHI, TEMPI)\n INCLUDE 'isrpia.inc'\n DIMENSION WI(NCOMP)\n REAL IC,GII,GI0,XX,LN10\n PARAMETER (LN10=2.3025851)\nC\nC *** SAVE INPUT VARIABLES IN COMMON BLOCK ******************************\nC\n IF (IPROB.EQ.0) THEN ! FORWARD CALCULATION\n DO 10 I=1,NCOMP\n W(I) = MAX(WI(I), TINY)\n10 CONTINUE\n ELSE\n DO 15 I=1,NCOMP ! REVERSE CALCULATION\n WAER(I) = MAX(WI(I), TINY)\n W(I) = ZERO\n15 CONTINUE\n ENDIF\n RH = RHI\n TEMP = TEMPI\nC\nC *** CALCULATE EQUILIBRIUM CONSTANTS ***********************************\nC\n XK1 = 1.015e-2 ! HSO4(aq) <==> H(aq) + SO4(aq)\n XK21 = 57.639 ! NH3(g) <==> NH3(aq)\n XK22 = 1.805e-5 ! NH3(aq) <==> NH4(aq) + OH(aq)\n XK4 = 2.511e6 ! HNO3(g) <==> H(aq) + NO3(aq) ! ISORR\nCCC XK4 = 3.638e6 ! HNO3(g) <==> H(aq) + NO3(aq) ! SEQUIL\n XK41 = 2.100e5 ! HNO3(g) <==> HNO3(aq)\n XK7 = 1.817 ! (NH4)2SO4(s) <==> 2*NH4(aq) + SO4(aq)\n XK10 = 5.746e-17 ! NH4NO3(s) <==> NH3(g) + HNO3(g) ! ISORR\nCCC XK10 = 2.985e-17 ! NH4NO3(s) <==> NH3(g) + HNO3(g) ! SEQUIL\n XK12 = 1.382e2 ! NH4HSO4(s) <==> NH4(aq) + HSO4(aq)\n XK13 = 29.268 ! (NH4)3H(SO4)2(s) <==> 3*NH4(aq) + HSO4(aq) + SO4(aq)\n XKW = 1.010e-14 ! H2O <==> H(aq) + OH(aq)\nC\n IF (INT(TEMP) .NE. 298) THEN ! FOR T != 298K or 298.15K\n T0 = 298.15D0\n T0T = T0/TEMP\n COEF= 1.0+LOG(T0T)-T0T\n XK1 = XK1 *EXP( 8.85*(T0T-1.0) + 25.140*COEF)\n XK21= XK21*EXP( 13.79*(T0T-1.0) - 5.393*COEF)\n XK22= XK22*EXP( -1.50*(T0T-1.0) + 26.920*COEF)\n XK4 = XK4 *EXP( 29.17*(T0T-1.0) + 16.830*COEF) !ISORR\nCCC XK4 = XK4 *EXP( 29.47*(T0T-1.0) + 16.840*COEF) ! SEQUIL\n XK41= XK41*EXP( 29.17*(T0T-1.0) + 16.830*COEF)\n XK7 = XK7 *EXP( -2.65*(T0T-1.0) + 38.570*COEF)\n XK10= XK10*EXP(-74.38*(T0T-1.0) + 6.120*COEF) ! ISORR\nCCC XK10= XK10*EXP(-75.11*(T0T-1.0) + 13.460*COEF) ! SEQUIL\n XK12= XK12*EXP( -2.87*(T0T-1.0) + 15.830*COEF)\n XK13= XK13*EXP( -5.19*(T0T-1.0) + 54.400*COEF)\n XKW = XKW *EXP(-22.52*(T0T-1.0) + 26.920*COEF)\n ENDIF\n XK2 = XK21*XK22 \n XK42 = XK4/XK41\nC\nC *** CALCULATE DELIQUESCENCE RELATIVE HUMIDITIES (UNICOMPONENT) ********\nC\n DRH2SO4 = ZERO\n DRNH42S4 = 0.7997D0\n DRNH4HS4 = 0.4000D0\n DRNH4NO3 = 0.6183D0\n DRLC = 0.6900D0\n IF (INT(TEMP) .NE. 298) THEN\n T0 = 298.15D0\n TCF = 1.0/TEMP - 1.0/T0\n DRNH4NO3 = DRNH4NO3*EXP(852.*TCF)\n DRNH42S4 = DRNH42S4*EXP( 80.*TCF)\n DRNH4HS4 = DRNH4HS4*EXP(384.*TCF) \n DRLC = DRLC *EXP(186.*TCF) \n DRNH4NO3 = MIN (DRNH4NO3,DRNH42S4) ! ADJUST FOR DRH CROSSOVER AT T<271K\n ENDIF\nC\nC *** CALCULATE MUTUAL DELIQUESCENCE RELATIVE HUMIDITIES ****************\nC\n DRMLCAB = 0.3780D0 ! (NH4)3H(SO4)2 & NH4HSO4 \n DRMLCAS = 0.6900D0 ! (NH4)3H(SO4)2 & (NH4)2SO4 \n DRMASAN = 0.6000D0 ! (NH4)2SO4 & NH4NO3\nCCC IF (INT(TEMP) .NE. 298) THEN ! For the time being\nCCC T0 = 298.15d0\nCCC TCF = 1.0/TEMP - 1.0/T0\nCCC DRMLCAB = DRMLCAB*EXP( 507.506*TCF) \nCCC DRMLCAS = DRMLCAS*EXP( 133.865*TCF) \nCCC DRMASAN = DRMASAN*EXP(1269.068*TCF)\nCCC ENDIF\nC\nC *** LIQUID PHASE ******************************************************\nC\n CHNO3 = ZERO\n CHCL = ZERO\n CH2SO4 = ZERO\n COH = ZERO\n WATER = TINY\nC\n DO 20 I=1,NPAIR\n MOLALR(I)=ZERO\n GAMA(I) =0.1\n GAMIN(I) =GREAT\n GAMOU(I) =GREAT\n M0(I) =1d5\n 20 CONTINUE\nC\n DO 30 I=1,NPAIR\n GAMA(I) = 0.1d0\n 30 CONTINUE\nC\n DO 40 I=1,NIONS\n MOLAL(I)=ZERO\n40 CONTINUE\n COH = ZERO\nC\n DO 50 I=1,NGASAQ\n GASAQ(I)=ZERO\n50 CONTINUE\nC\nC *** SOLID PHASE ******************************************************\nC\n CNH42S4= ZERO\n CNH4HS4= ZERO\n CNACL = ZERO\n CNA2SO4= ZERO\n CNANO3 = ZERO\n CNH4NO3= ZERO\n CNH4CL = ZERO\n CNAHSO4= ZERO\n CLC = ZERO\n CCASO4 = ZERO\n CCANO32= ZERO\n CCACL2 = ZERO\n CK2SO4 = ZERO\n CKHSO4 = ZERO\n CKNO3 = ZERO\n CKCL = ZERO\n CMGSO4 = ZERO\n CMGNO32= ZERO\n CMGCL2 = ZERO\nC\nC *** GAS PHASE ********************************************************\nC\n GNH3 = ZERO\n GHNO3 = ZERO\n GHCL = ZERO\nC\nC *** CALCULATE ZSR PARAMETERS *****************************************\nC\n IRH = MIN (INT(RH*NZSR+0.5),NZSR) ! Position in ZSR arrays\n IRH = MAX (IRH, 1)\nC\nC M0(01) = AWSC(IRH) ! NACl\nC IF (M0(01) .LT. 100.0) THEN\nC IC = M0(01)\nC CALL KMTAB(IC,298.0, GI0,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,\nC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nC CALL KMTAB(IC,SNGL(TEMP),GII,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,\nC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nC M0(01) = M0(01)*EXP(LN10*(GI0-GII))\nC ENDIF\nCC\nC M0(02) = AWSS(IRH) ! (NA)2SO4\nC IF (M0(02) .LT. 100.0) THEN\nC IC = 3.0*M0(02)\nC CALL KMTAB(IC,298.0, XX,GI0,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,\nC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nC CALL KMTAB(IC,SNGL(TEMP),XX,GII,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,\nC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nC M0(02) = M0(02)*EXP(LN10*(GI0-GII))\nC ENDIF\nCCC\nC M0(03) = AWSN(IRH) ! NANO3\nC IF (M0(03) .LT. 100.0) THEN\nC IC = M0(03)\nC CALL KMTAB(IC,298.0, XX,XX,GI0,XX,XX,XX,XX,XX,XX,XX,XX,XX,\nC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nC CALL KMTAB(IC,SNGL(TEMP),XX,XX,GII,XX,XX,XX,XX,XX,XX,XX,XX,XX,\nC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nC M0(03) = M0(03)*EXP(LN10*(GI0-GII))\nC ENDIF\nC\n M0(04) = AWAS(IRH) ! (NH4)2SO4\nCC IF (M0(04) .LT. 100.0) THEN\nCC IC = 3.0*M0(04)\nCC CALL KMTAB(IC,298.0, XX,XX,XX,GI0,XX,XX,XX,XX,XX,XX,XX,XX,\nCC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nCC CALL KMTAB(IC,SNGL(TEMP),XX,XX,XX,GII,XX,XX,XX,XX,XX,XX,XX,XX,\nCC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nCC M0(04) = M0(04)*EXP(LN10*(GI0-GII))\nCC ENDIF\nC\n M0(05) = AWAN(IRH) ! NH4NO3\nCC IF (M0(05) .LT. 100.0) THEN\nCC IC = M0(05)\nCC CALL KMTAB(IC,298.0, XX,XX,XX,XX,GI0,XX,XX,XX,XX,XX,XX,XX,\nCC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nCC CALL KMTAB(IC,SNGL(TEMP),XX,XX,XX,XX,GII,XX,XX,XX,XX,XX,XX,XX,\nCC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nCC M0(05) = M0(05)*EXP(LN10*(GI0-GII))\nCC ENDIF\nC\nC M0(06) = AWAC(IRH) ! NH4CL\nC IF (M0(06) .LT. 100.0) THEN\nC IC = M0(06)\nC CALL KMTAB(IC,298.0, XX,XX,XX,XX,XX,GI0,XX,XX,XX,XX,XX,XX,\nC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nC CALL KMTAB(IC,SNGL(TEMP),XX,XX,XX,XX,XX,GII,XX,XX,XX,XX,XX,XX,\nC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nC M0(06) = M0(06)*EXP(LN10*(GI0-GII))\nC ENDIF\nCC\n M0(07) = AWSA(IRH) ! 2H-SO4\nCC IF (M0(07) .LT. 100.0) THEN\nCC IC = 3.0*M0(07)\nCC CALL KMTAB(IC,298.0, XX,XX,XX,XX,XX,XX,GI0,XX,XX,XX,XX,XX,\nCC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nCC CALL KMTAB(IC,SNGL(TEMP),XX,XX,XX,XX,XX,XX,GII,XX,XX,XX,XX,XX,\nCC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nCC M0(07) = M0(07)*EXP(LN10*(GI0-GII))\nCC ENDIF\nC\n M0(08) = AWSA(IRH) ! H-HSO4\nCCC IF (M0(08) .LT. 100.0) THEN ! These are redundant, because M0(8) is not used\nCCC IC = M0(08)\nCCC CALL KMTAB(IC,298.0, XX,XX,XX,XX,XX,XX,XX,GI0,XX,XX,XX,XX)\nCCC CALL KMTAB(IC,SNGL(TEMP),XX,XX,XX,XX,XX,XX,XX,GI0,XX,XX,XX,XX)\nCCCCCC CALL KMTAB(IC,SNGL(TEMP),XX,XX,XX,XX,XX,XX,XX,GII,XX,XX,XX,XX)\nCCC M0(08) = M0(08)*EXP(LN10*(GI0-GII))\nCCC ENDIF\nC\n M0(09) = AWAB(IRH) ! NH4HSO4\nCC IF (M0(09) .LT. 100.0) THEN\nCC IC = M0(09)\nCC CALL KMTAB(IC,298.0, XX,XX,XX,XX,XX,XX,XX,XX,GI0,XX,XX,XX,\nCC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nCC CALL KMTAB(IC,SNGL(TEMP),XX,XX,XX,XX,XX,XX,XX,XX,GII,XX,XX,XX,\nCC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nCC M0(09) = M0(09)*EXP(LN10*(GI0-GII))\nCC ENDIF\nC\nC M0(12) = AWSB(IRH) ! NAHSO4\nC IF (M0(12) .LT. 100.0) THEN\nC IC = M0(12)\nC CALL KMTAB(IC,298.0, XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,GI0,\nC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nC CALL KMTAB(IC,SNGL(TEMP),XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,GII,\nC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nC M0(12) = M0(12)*EXP(LN10*(GI0-GII))\nC ENDIF\nC\n M0(13) = AWLC(IRH) ! (NH4)3H(SO4)2\nC IF (M0(13) .LT. 100.0) THEN\nC IC = 4.0*M0(13)\nC CALL KMTAB(IC,298.0, XX,XX,XX,GI0,XX,XX,XX,XX,GII,XX,XX,XX,\nC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nC G130 = 0.2*(3.0*GI0+2.0*GII)\nC CALL KMTAB(IC,SNGL(TEMP),XX,XX,XX,GI0,XX,XX,XX,XX,GII,XX,XX,XX,\nC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nC G13I = 0.2*(3.0*GI0+2.0*GII)\nC M0(13) = M0(13)*EXP(LN10*SNGL(G130-G13I))\nC ENDIF\nC\nC *** OTHER INITIALIZATIONS *********************************************\nC\n ICLACT = 0\n CALAOU = .TRUE.\n CALAIN = .TRUE.\n FRST = .TRUE.\n SCASE = '??'\n SULRATW = 2.D0\n SODRAT = ZERO\n CRNARAT = ZERO\n CRRAT = ZERO\n NOFER = 0\n STKOFL =.FALSE.\n DO 60 I=1,NERRMX\n ERRSTK(I) =-999\n ERRMSG(I) = 'MESSAGE N/A'\n 60 CONTINUE\nC\nC *** END OF SUBROUTINE INIT2 *******************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE ISOINIT3\nC *** THIS SUBROUTINE INITIALIZES ALL GLOBAL VARIABLES FOR AMMONIUM,\nC SODIUM, CHLORIDE, NITRATE, SULFATE AEROSOL SYSTEMS (SUBROUTINE \nC ISRP3)\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE ISOINIT3 (WI, RHI, TEMPI)\n INCLUDE 'isrpia.inc'\n DIMENSION WI(NCOMP)\n REAL IC,GII,GI0,XX,LN10\n PARAMETER (LN10=2.3025851)\nC\nC *** SAVE INPUT VARIABLES IN COMMON BLOCK ******************************\nC\n IF (IPROB.EQ.0) THEN ! FORWARD CALCULATION\n DO 10 I=1,NCOMP\n W(I) = MAX(WI(I), TINY)\n10 CONTINUE\n ELSE\n DO 15 I=1,NCOMP ! REVERSE CALCULATION\n WAER(I) = MAX(WI(I), TINY)\n W(I) = ZERO\n15 CONTINUE\n ENDIF\n RH = RHI\n TEMP = TEMPI\nC\nC *** CALCULATE EQUILIBRIUM CONSTANTS ***********************************\nC\n XK1 = 1.015D-2 ! HSO4(aq) <==> H(aq) + SO4(aq)\n XK21 = 57.639D0 ! NH3(g) <==> NH3(aq)\n XK22 = 1.805D-5 ! NH3(aq) <==> NH4(aq) + OH(aq)\n XK3 = 1.971D6 ! HCL(g) <==> H(aq) + CL(aq)\n XK31 = 2.500e3 ! HCL(g) <==> HCL(aq)\n XK4 = 2.511e6 ! HNO3(g) <==> H(aq) + NO3(aq) ! ISORR\nCCC XK4 = 3.638e6 ! HNO3(g) <==> H(aq) + NO3(aq) ! SEQUIL\n XK41 = 2.100e5 ! HNO3(g) <==> HNO3(aq)\n XK5 = 0.4799D0 ! NA2SO4(s) <==> 2*NA(aq) + SO4(aq)\n XK6 = 1.086D-16 ! NH4CL(s) <==> NH3(g) + HCL(g)\n XK7 = 1.817D0 ! (NH4)2SO4(s) <==> 2*NH4(aq) + SO4(aq)\n XK8 = 37.661D0 ! NACL(s) <==> NA(aq) + CL(aq)\n XK10 = 5.746D-17 ! NH4NO3(s) <==> NH3(g) + HNO3(g) ! ISORR\nCCC XK10 = 2.985e-17 ! NH4NO3(s) <==> NH3(g) + HNO3(g) ! SEQUIL\n XK11 = 2.413D4 ! NAHSO4(s) <==> NA(aq) + HSO4(aq)\n XK12 = 1.382D2 ! NH4HSO4(s) <==> NH4(aq) + HSO4(aq)\n XK13 = 29.268D0 ! (NH4)3H(SO4)2(s) <==> 3*NH4(aq) + HSO4(aq) + SO4(aq)\n XK14 = 22.05D0 ! NH4CL(s) <==> NH4(aq) + CL(aq)\n XKW = 1.010D-14 ! H2O <==> H(aq) + OH(aq)\n XK9 = 11.977D0 ! NANO3(s) <==> NA(aq) + NO3(aq)\nC\n IF (INT(TEMP) .NE. 298) THEN ! FOR T != 298K or 298.15K\n T0 = 298.15D0\n T0T = T0/TEMP\n COEF= 1.0+LOG(T0T)-T0T\n XK1 = XK1 *EXP( 8.85*(T0T-1.0) + 25.140*COEF)\n XK21= XK21*EXP( 13.79*(T0T-1.0) - 5.393*COEF)\n XK22= XK22*EXP( -1.50*(T0T-1.0) + 26.920*COEF)\n XK3 = XK3 *EXP( 30.20*(T0T-1.0) + 19.910*COEF)\n XK31= XK31*EXP( 30.20*(T0T-1.0) + 19.910*COEF)\n XK4 = XK4 *EXP( 29.17*(T0T-1.0) + 16.830*COEF) !ISORR\nCCC XK4 = XK4 *EXP( 29.47*(T0T-1.0) + 16.840*COEF) ! SEQUIL\n XK41= XK41*EXP( 29.17*(T0T-1.0) + 16.830*COEF)\n XK5 = XK5 *EXP( 0.98*(T0T-1.0) + 39.500*COEF)\n XK6 = XK6 *EXP(-71.00*(T0T-1.0) + 2.400*COEF)\n XK7 = XK7 *EXP( -2.65*(T0T-1.0) + 38.570*COEF)\n XK8 = XK8 *EXP( -1.56*(T0T-1.0) + 16.900*COEF)\n XK9 = XK9 *EXP( -8.22*(T0T-1.0) + 16.010*COEF)\n XK10= XK10*EXP(-74.38*(T0T-1.0) + 6.120*COEF) ! ISORR\nCCC XK10= XK10*EXP(-75.11*(T0T-1.0) + 13.460*COEF) ! SEQUIL\n XK11= XK11*EXP( 0.79*(T0T-1.0) + 14.746*COEF)\n XK12= XK12*EXP( -2.87*(T0T-1.0) + 15.830*COEF)\n XK13= XK13*EXP( -5.19*(T0T-1.0) + 54.400*COEF)\n XK14= XK14*EXP( 24.55*(T0T-1.0) + 16.900*COEF)\n XKW = XKW *EXP(-22.52*(T0T-1.0) + 26.920*COEF)\n ENDIF\n XK2 = XK21*XK22 \n XK42 = XK4/XK41\n XK32 = XK3/XK31\nC\nC *** CALCULATE DELIQUESCENCE RELATIVE HUMIDITIES (UNICOMPONENT) ********\nC\n DRH2SO4 = ZERO\n DRNH42S4 = 0.7997D0\n DRNH4HS4 = 0.4000D0\n DRLC = 0.6900D0\n DRNACL = 0.7528D0\n DRNANO3 = 0.7379D0\n DRNH4CL = 0.7710D0\n DRNH4NO3 = 0.6183D0\n DRNA2SO4 = 0.9300D0\n DRNAHSO4 = 0.5200D0\n IF (INT(TEMP) .NE. 298) THEN\n T0 = 298.15D0\n TCF = 1.0/TEMP - 1.0/T0\n DRNACL = DRNACL *EXP( 25.*TCF)\n DRNANO3 = DRNANO3 *EXP(304.*TCF)\n DRNA2SO4 = DRNA2SO4*EXP( 80.*TCF)\n DRNH4NO3 = DRNH4NO3*EXP(852.*TCF)\n DRNH42S4 = DRNH42S4*EXP( 80.*TCF)\n DRNH4HS4 = DRNH4HS4*EXP(384.*TCF) \n DRLC = DRLC *EXP(186.*TCF)\n DRNH4CL = DRNH4Cl *EXP(239.*TCF)\n DRNAHSO4 = DRNAHSO4*EXP(-45.*TCF) \nC\nC *** ADJUST FOR DRH \"CROSSOVER\" AT LOW TEMPERATURES\nC\n DRNH4NO3 = MIN (DRNH4NO3, DRNH4CL, DRNH42S4, DRNANO3, DRNACL)\n DRNANO3 = MIN (DRNANO3, DRNACL)\n DRNH4CL = MIN (DRNH4Cl, DRNH42S4)\nC\n ENDIF\nC\nC *** CALCULATE MUTUAL DELIQUESCENCE RELATIVE HUMIDITIES ****************\nC\n DRMLCAB = 0.378D0 ! (NH4)3H(SO4)2 & NH4HSO4 \n DRMLCAS = 0.690D0 ! (NH4)3H(SO4)2 & (NH4)2SO4 \n DRMASAN = 0.600D0 ! (NH4)2SO4 & NH4NO3\n DRMG1 = 0.460D0 ! (NH4)2SO4, NH4NO3, NA2SO4, NH4CL\n DRMG2 = 0.691D0 ! (NH4)2SO4, NA2SO4, NH4CL\n DRMG3 = 0.697D0 ! (NH4)2SO4, NA2SO4\n DRMH1 = 0.240D0 ! NA2SO4, NANO3, NACL, NH4NO3, NH4CL\n DRMH2 = 0.596D0 ! NA2SO4, NANO3, NACL, NH4CL\n DRMI1 = 0.240D0 ! LC, NAHSO4, NH4HSO4, NA2SO4, (NH4)2SO4\n DRMI2 = 0.363D0 ! LC, NAHSO4, NA2SO4, (NH4)2SO4 - NO DATA -\n DRMI3 = 0.610D0 ! LC, NA2SO4, (NH4)2SO4 \n DRMQ1 = 0.494D0 ! (NH4)2SO4, NH4NO3, NA2SO4\n DRMR1 = 0.663D0 ! NA2SO4, NANO3, NACL\n DRMR2 = 0.735D0 ! NA2SO4, NACL\n DRMR3 = 0.673D0 ! NANO3, NACL\n DRMR4 = 0.694D0 ! NA2SO4, NACL, NH4CL\n DRMR5 = 0.731D0 ! NA2SO4, NH4CL\n DRMR6 = 0.596D0 ! NA2SO4, NANO3, NH4CL\n DRMR7 = 0.380D0 ! NA2SO4, NANO3, NACL, NH4NO3\n DRMR8 = 0.380D0 ! NA2SO4, NACL, NH4NO3\n DRMR9 = 0.494D0 ! NA2SO4, NH4NO3\n DRMR10 = 0.476D0 ! NA2SO4, NANO3, NH4NO3\n DRMR11 = 0.340D0 ! NA2SO4, NACL, NH4NO3, NH4CL\n DRMR12 = 0.460D0 ! NA2SO4, NH4NO3, NH4CL\n DRMR13 = 0.438D0 ! NA2SO4, NANO3, NH4NO3, NH4CL\nCCC IF (INT(TEMP) .NE. 298) THEN\nCCC T0 = 298.15d0\nCCC TCF = 1.0/TEMP - 1.0/T0\nCCC DRMLCAB = DRMLCAB*EXP( 507.506*TCF) \nCCC DRMLCAS = DRMLCAS*EXP( 133.865*TCF) \nCCC DRMASAN = DRMASAN*EXP(1269.068*TCF)\nCCC DRMG1 = DRMG1 *EXP( 572.207*TCF)\nCCC DRMG2 = DRMG2 *EXP( 58.166*TCF)\nCCC DRMG3 = DRMG3 *EXP( 22.253*TCF)\nCCC DRMH1 = DRMH1 *EXP(2116.542*TCF)\nCCC DRMH2 = DRMH2 *EXP( 650.549*TCF)\nCCC DRMI1 = DRMI1 *EXP( 565.743*TCF)\nCCC DRMI2 = DRMI2 *EXP( 91.745*TCF)\nCCC DRMI3 = DRMI3 *EXP( 161.272*TCF)\nCCC DRMQ1 = DRMQ1 *EXP(1616.621*TCF)\nCCC DRMR1 = DRMR1 *EXP( 292.564*TCF)\nCCC DRMR2 = DRMR2 *EXP( 14.587*TCF)\nCCC DRMR3 = DRMR3 *EXP( 307.907*TCF)\nCCC DRMR4 = DRMR4 *EXP( 97.605*TCF)\nCCC DRMR5 = DRMR5 *EXP( 98.523*TCF)\nCCC DRMR6 = DRMR6 *EXP( 465.500*TCF)\nCCC DRMR7 = DRMR7 *EXP( 324.425*TCF)\nCCC DRMR8 = DRMR8 *EXP(2660.184*TCF)\nCCC DRMR9 = DRMR9 *EXP(1617.178*TCF)\nCCC DRMR10 = DRMR10 *EXP(1745.226*TCF)\nCCC DRMR11 = DRMR11 *EXP(3691.328*TCF)\nCCC DRMR12 = DRMR12 *EXP(1836.842*TCF)\nCCC DRMR13 = DRMR13 *EXP(1967.938*TCF)\nCCC ENDIF\nC\nC *** LIQUID PHASE ******************************************************\nC\n CHNO3 = ZERO\n CHCL = ZERO\n CH2SO4 = ZERO\n COH = ZERO\n WATER = TINY\nC\n DO 20 I=1,NPAIR\n MOLALR(I)=ZERO\n GAMA(I) =0.1\n GAMIN(I) =GREAT\n GAMOU(I) =GREAT\n M0(I) =1d5\n 20 CONTINUE\nC\n DO 30 I=1,NPAIR\n GAMA(I) = 0.1d0\n 30 CONTINUE\nC\n DO 40 I=1,NIONS\n MOLAL(I)=ZERO\n40 CONTINUE\n COH = ZERO\nC\n DO 50 I=1,NGASAQ\n GASAQ(I)=ZERO\n50 CONTINUE\nC\nC *** SOLID PHASE *******************************************************\nC\n CNH42S4= ZERO\n CNH4HS4= ZERO\n CNACL = ZERO\n CNA2SO4= ZERO\n CNANO3 = ZERO\n CNH4NO3= ZERO\n CNH4CL = ZERO\n CNAHSO4= ZERO\n CLC = ZERO\n CCASO4 = ZERO\n CCANO32= ZERO\n CCACL2 = ZERO\n CK2SO4 = ZERO\n CKHSO4 = ZERO\n CKNO3 = ZERO\n CKCL = ZERO\n CMGSO4 = ZERO\n CMGNO32= ZERO\n CMGCL2 = ZERO\nC\nC *** GAS PHASE *********************************************************\nC\n GNH3 = ZERO\n GHNO3 = ZERO\n GHCL = ZERO\nC\nC *** CALCULATE ZSR PARAMETERS ******************************************\nC\n IRH = MIN (INT(RH*NZSR+0.5),NZSR) ! Position in ZSR arrays\n IRH = MAX (IRH, 1)\nC\n M0(01) = AWSC(IRH) ! NACl\nCC IF (M0(01) .LT. 100.0) THEN\nCC IC = M0(01)\nCC CALL KMTAB(IC,298.0, GI0,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,\nCC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nCC CALL KMTAB(IC,SNGL(TEMP),GII,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,\nCC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nCC M0(01) = M0(01)*EXP(LN10*(GI0-GII))\nCC ENDIF\nC\n M0(02) = AWSS(IRH) ! (NA)2SO4\nCC IF (M0(02) .LT. 100.0) THEN\nCC IC = 3.0*M0(02)\nCC CALL KMTAB(IC,298.0, XX,GI0,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,\nCC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nCC CALL KMTAB(IC,SNGL(TEMP),XX,GII,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,\nCC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nCC M0(02) = M0(02)*EXP(LN10*(GI0-GII))\nCC ENDIF\nC\n M0(03) = AWSN(IRH) ! NANO3\nCC IF (M0(03) .LT. 100.0) THEN\nCC IC = M0(03)\nCC CALL KMTAB(IC,298.0, XX,XX,GI0,XX,XX,XX,XX,XX,XX,XX,XX,XX,\nCC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nCC CALL KMTAB(IC,SNGL(TEMP),XX,XX,GII,XX,XX,XX,XX,XX,XX,XX,XX,XX,\nCC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nC C M0(03) = M0(03)*EXP(LN10*(GI0-GII))\nCC ENDIF\nC\n M0(04) = AWAS(IRH) ! (NH4)2SO4\nCC IF (M0(04) .LT. 100.0) THEN\nCC IC = 3.0*M0(04)\nCC CALL KMTAB(IC,298.0, XX,XX,XX,GI0,XX,XX,XX,XX,XX,XX,XX,XX,\nCC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nCC CALL KMTAB(IC,SNGL(TEMP),XX,XX,XX,GII,XX,XX,XX,XX,XX,XX,XX,XX,\nCC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nCC M0(04) = M0(04)*EXP(LN10*(GI0-GII))\nCC ENDIF\nC\n M0(05) = AWAN(IRH) ! NH4NO3\nCC IF (M0(05) .LT. 100.0) THEN\nCC IC = M0(05)\nCC CALL KMTAB(IC,298.0, XX,XX,XX,XX,GI0,XX,XX,XX,XX,XX,XX,XX,\nCC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nCC CALL KMTAB(IC,SNGL(TEMP),XX,XX,XX,XX,GII,XX,XX,XX,XX,XX,XX,XX,\nCC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nCC M0(05) = M0(05)*EXP(LN10*(GI0-GII))\nCC ENDIF\nC\n M0(06) = AWAC(IRH) ! NH4CL\nCC IF (M0(06) .LT. 100.0) THEN\nCC IC = M0(06)\nCC CALL KMTAB(IC,298.0, XX,XX,XX,XX,XX,GI0,XX,XX,XX,XX,XX,XX,\nCC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nCC CALL KMTAB(IC,SNGL(TEMP),XX,XX,XX,XX,XX,GII,XX,XX,XX,XX,XX,XX,\nCC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nCC M0(06) = M0(06)*EXP(LN10*(GI0-GII))\nCC ENDIF\nC\n M0(07) = AWSA(IRH) ! 2H-SO4\nCC IF (M0(07) .LT. 100.0) THEN\nCC IC = 3.0*M0(07)\nCC CALL KMTAB(IC,298.0, XX,XX,XX,XX,XX,XX,GI0,XX,XX,XX,XX,XX,\nCC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nCC CALL KMTAB(IC,SNGL(TEMP),XX,XX,XX,XX,XX,XX,GII,XX,XX,XX,XX,XX,\nCC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nCC M0(07) = M0(07)*EXP(LN10*(GI0-GII))\nCC ENDIF\nC\n M0(08) = AWSA(IRH) ! H-HSO4\nCCC IF (M0(08) .LT. 100.0) THEN ! These are redundant, because M0(8) is not used\nCCC IC = M0(08)\nCCC CALL KMTAB(IC,298.0, XX,XX,XX,XX,XX,XX,XX,GI0,XX,XX,XX,XX)\nCCC CALL KMTAB(IC,SNGL(TEMP),XX,XX,XX,XX,XX,XX,XX,GI0,XX,XX,XX,XX)\nCCCCCC CALL KMTAB(IC,SNGL(TEMP),XX,XX,XX,XX,XX,XX,XX,GII,XX,XX,XX,XX)\nCCC M0(08) = M0(08)*EXP(LN10*(GI0-GII))\nCCC ENDIF\nC\n M0(09) = AWAB(IRH) ! NH4HSO4\nCC IF (M0(09) .LT. 100.0) THEN\nCC IC = M0(09)\nCC CALL KMTAB(IC,298.0, XX,XX,XX,XX,XX,XX,XX,XX,GI0,XX,XX,XX,\nCC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nCC CALL KMTAB(IC,SNGL(TEMP),XX,XX,XX,XX,XX,XX,XX,XX,GII,XX,XX,XX,\nCC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nCC M0(09) = M0(09)*EXP(LN10*(GI0-GII))\nCC ENDIF\nC\n M0(12) = AWSB(IRH) ! NAHSO4\nCC IF (M0(12) .LT. 100.0) THEN\nCC IC = M0(12)\nCC CALL KMTAB(IC,298.0, XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,GI0,\nCC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nCC CALL KMTAB(IC,SNGL(TEMP),XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,GII,\nCC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nCC M0(12) = M0(12)*EXP(LN10*(GI0-GII))\nCC ENDIF\nC\n M0(13) = AWLC(IRH) ! (NH4)3H(SO4)2\nCC IF (M0(13) .LT. 100.0) THEN\nCC IC = 4.0*M0(13)\nCC CALL KMTAB(IC,298.0, XX,XX,XX,GI0,XX,XX,XX,XX,GII,XX,XX,XX,\nCC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nCC G130 = 0.2*(3.0*GI0+2.0*GII)\nCC CALL KMTAB(IC,SNGL(TEMP),XX,XX,XX,GI0,XX,XX,XX,XX,GII,XX,XX,XX,\nCC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nCC G13I = 0.2*(3.0*GI0+2.0*GII)\nCC M0(13) = M0(13)*EXP(LN10*SNGL(G130-G13I))\nCC ENDIF\nC\nC *** OTHER INITIALIZATIONS *********************************************\nC\n ICLACT = 0\n CALAOU = .TRUE.\n CALAIN = .TRUE.\n FRST = .TRUE.\n SCASE = '??'\n SULRATW = 2.D0\n CRNARAT = ZERO\n CRRAT = ZERO\n NOFER = 0\n STKOFL =.FALSE.\n DO 60 I=1,NERRMX\n ERRSTK(I) =-999\n ERRMSG(I) = 'MESSAGE N/A'\n 60 CONTINUE\nC\nC *** END OF SUBROUTINE ISOINIT3 *******************************************\nC\n END\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE INIT4\nC *** THIS SUBROUTINE INITIALIZES ALL GLOBAL VARIABLES FOR AMMONIUM,\nC SODIUM, CHLORIDE, NITRATE, SULFATE, CALCIUM, POTASSIUM, MAGNESIUM\nC AEROSOL SYSTEMS (SUBROUTINE ISRP4)\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE INIT4 (WI, RHI, TEMPI)\n INCLUDE 'isrpia.inc'\n DIMENSION WI(NCOMP)\n REAL IC,GII,GI0,XX,LN10\n PARAMETER (LN10=2.3025851)\nC\nC *** SAVE INPUT VARIABLES IN COMMON BLOCK ******************************\nC\n IF (IPROB.EQ.0) THEN ! FORWARD CALCULATION\n DO 10 I=1,NCOMP\n W(I) = MAX(WI(I), TINY)\n10 CONTINUE\n ELSE\n DO 15 I=1,NCOMP ! REVERSE CALCULATION\n WAER(I) = MAX(WI(I), TINY)\n W(I) = ZERO\n15 CONTINUE\n ENDIF\n RH = RHI\n TEMP = TEMPI\nC\nC *** CALCULATE EQUILIBRIUM CONSTANTS ***********************************\nC\n XK1 = 1.015D-2 ! HSO4(aq) <==> H(aq) + SO4(aq)\n XK21 = 57.639D0 ! NH3(g) <==> NH3(aq)\n XK22 = 1.805D-5 ! NH3(aq) <==> NH4(aq) + OH(aq)\n XK3 = 1.971D6 ! HCL(g) <==> H(aq) + CL(aq)\n XK31 = 2.500e3 ! HCL(g) <==> HCL(aq)\n XK4 = 2.511e6 ! HNO3(g) <==> H(aq) + NO3(aq) ! ISORR\nC XK4 = 3.638e6 ! HNO3(g) <==> H(aq) + NO3(aq) ! SEQUIL\n XK41 = 2.100e5 ! HNO3(g) <==> HNO3(aq)\n XK5 = 0.4799D0 ! NA2SO4(s) <==> 2*NA(aq) + SO4(aq)\n XK6 = 1.086D-16 ! NH4CL(s) <==> NH3(g) + HCL(g)\n XK7 = 1.817D0 ! (NH4)2SO4(s) <==> 2*NH4(aq) + SO4(aq)\n XK8 = 37.661D0 ! NACL(s) <==> NA(aq) + CL(aq)\nC XK10 = 5.746D-17 ! NH4NO3(s) <==> NH3(g) + HNO3(g) ! ISORR\n XK10 = 4.199D-17 ! NH4NO3(s) <==> NH3(g) + HNO3(g) ! (Mozurkewich, 1993)\nC XK10 = 2.985e-17 ! NH4NO3(s) <==> NH3(g) + HNO3(g) ! SEQUIL\n XK11 = 2.413D4 ! NAHSO4(s) <==> NA(aq) + HSO4(aq)\n XK12 = 1.382D2 ! NH4HSO4(s) <==> NH4(aq) + HSO4(aq)\n XK13 = 29.268D0 ! (NH4)3H(SO4)2(s) <==> 3*NH4(aq) + HSO4(aq) + SO4(aq)\n XK14 = 22.05D0 ! NH4CL(s) <==> NH4(aq) + CL(aq)\n XKW = 1.010D-14 ! H2O <==> H(aq) + OH(aq)\n XK9 = 11.977D0 ! NANO3(s) <==> NA(aq) + NO3(aq)\nCCC\n XK15 = 6.067D5 ! CA(NO3)2(s) <==> CA(aq) + 2NO3(aq)\n XK16 = 7.974D11 ! CACL2(s) <==> CA(aq) + 2CL(aq)\n XK17 = 1.569D-2 ! K2SO4(s) <==> 2K(aq) + SO4(aq)\n XK18 = 24.016 ! KHSO4(s) <==> K(aq) + HSO4(aq)\n XK19 = 0.872 ! KNO3(s) <==> K(aq) + NO3(aq)\n XK20 = 8.680 ! KCL(s) <==> K(aq) + CL(aq)\n XK23 = 1.079D5 ! MGS04(s) <==> MG(aq) + SO4(aq)\n XK24 = 2.507D15 ! MG(NO3)2(s) <==> MG(aq) + 2NO3(aq)\n XK25 = 9.557D21 ! MGCL2(s) <==> MG(aq) + 2CL(aq)\nC XK26 = 4.299D-7 ! CO2(aq) + H2O <==> HCO3(aq) + H(aq)\nC XK27 = 4.678D-11 ! HCO3(aq) <==> CO3(aq) + H(aq)\n\nC\n IF (INT(TEMP) .NE. 298) THEN ! FOR T != 298K or 298.15K\n T0 = 298.15D0\n T0T = T0/TEMP\n COEF= 1.0+LOG(T0T)-T0T\n XK1 = XK1 *EXP( 8.85*(T0T-1.0) + 25.140*COEF)\n XK21= XK21*EXP( 13.79*(T0T-1.0) - 5.393*COEF)\n XK22= XK22*EXP( -1.50*(T0T-1.0) + 26.920*COEF)\n XK3 = XK3 *EXP( 30.20*(T0T-1.0) + 19.910*COEF)\n XK31= XK31*EXP( 30.20*(T0T-1.0) + 19.910*COEF)\n XK4 = XK4 *EXP( 29.17*(T0T-1.0) + 16.830*COEF) !ISORR\nC XK4 = XK4 *EXP( 29.47*(T0T-1.0) + 16.840*COEF) ! SEQUIL\n XK41= XK41*EXP( 29.17*(T0T-1.0) + 16.830*COEF)\n XK5 = XK5 *EXP( 0.98*(T0T-1.0) + 39.500*COEF)\n XK6 = XK6 *EXP(-71.00*(T0T-1.0) + 2.400*COEF)\n XK7 = XK7 *EXP( -2.65*(T0T-1.0) + 38.570*COEF)\n XK8 = XK8 *EXP( -1.56*(T0T-1.0) + 16.900*COEF)\n XK9 = XK9 *EXP( -8.22*(T0T-1.0) + 16.010*COEF)\nC XK10= XK10*EXP(-74.38*(T0T-1.0) + 6.120*COEF) ! ISORR\n XK10= XK10*EXP(-74.7351*(T0T-1.0) + 6.025*COEF) ! (Mozurkewich, 1993)\nC XK10= XK10*EXP(-75.11*(T0T-1.0) + 13.460*COEF) ! SEQUIL\n XK11= XK11*EXP( 0.79*(T0T-1.0) + 14.746*COEF)\n XK12= XK12*EXP( -2.87*(T0T-1.0) + 15.830*COEF)\n XK13= XK13*EXP( -5.19*(T0T-1.0) + 54.400*COEF)\n XK14= XK14*EXP( 24.55*(T0T-1.0) + 16.900*COEF)\n XKW = XKW *EXP(-22.52*(T0T-1.0) + 26.920*COEF)\nCCC\nC XK15= XK15 *EXP( .0*(T0T-1.0) + .0*COEF)\nC XK16= XK16 *EXP( .0*(T0T-1.0) + .0*COEF)\n XK17= XK17 *EXP(-9.585*(T0T-1.0) + 45.81*COEF)\n XK18= XK18 *EXP(-8.423*(T0T-1.0) + 17.96*COEF)\n XK19= XK19 *EXP(-14.08*(T0T-1.0) + 19.39*COEF)\n XK20= XK20 *EXP(-6.902*(T0T-1.0) + 19.95*COEF)\nC XK23= XK23 *EXP( .0*(T0T-1.0) + .0*COEF)\nC XK24= XK24 *EXP( .0*(T0T-1.0) + .0*COEF)\nC XK25= XK25 *EXP( .0*(T0T-1.0) + .0*COEF)\nC XK26= XK26 *EXP(-3.0821*(T0T-1.0) + 31.8139*COEF)\nC XK27= XK27 *EXP(-5.9908*(T0T-1.0) + 38.844*COEF)\n\n ENDIF\n XK2 = XK21*XK22\n XK42 = XK4/XK41\n XK32 = XK3/XK31\nC\nC *** CALCULATE DELIQUESCENCE RELATIVE HUMIDITIES (UNICOMPONENT) ********\nC\n DRH2SO4 = ZERO\n DRNH42S4 = 0.7997D0\n DRNH4HS4 = 0.4000D0\n DRLC = 0.6900D0\n DRNACL = 0.7528D0\n DRNANO3 = 0.7379D0\n DRNH4CL = 0.7710D0\n DRNH4NO3 = 0.6183D0\n DRNA2SO4 = 0.9300D0\n DRNAHSO4 = 0.5200D0\n DRCANO32 = 0.4906D0\n DRCACL2 = 0.2830D0\n DRK2SO4 = 0.9750D0\n DRKHSO4 = 0.8600D0\n DRKNO3 = 0.9248D0\n DRKCL = 0.8426D0\n DRMGSO4 = 0.8613D0\n DRMGNO32 = 0.5400D0\n DRMGCL2 = 0.3284D0\n IF (INT(TEMP) .NE. 298) THEN\n T0 = 298.15D0\n TCF = 1.0/TEMP - 1.0/T0\n DRNACL = DRNACL *EXP( 25.*TCF)\n DRNANO3 = DRNANO3 *EXP(304.*TCF)\n DRNA2SO4 = DRNA2SO4*EXP( 80.*TCF)\n DRNH4NO3 = DRNH4NO3*EXP(852.*TCF)\n DRNH42S4 = DRNH42S4*EXP( 80.*TCF)\n DRNH4HS4 = DRNH4HS4*EXP(384.*TCF)\n DRLC = DRLC *EXP(186.*TCF)\n DRNH4CL = DRNH4Cl *EXP(239.*TCF)\n DRNAHSO4 = DRNAHSO4*EXP(-45.*TCF)\nC DRCANO32 = DRCANO32*EXP(-430.5*TCF)\n DRCANO32 = DRCANO32*EXP(509.4*TCF) ! KELLY & WEXLER (2005) FOR CANO32.4H20\nC DRCACL2 = DRCACL2 *EXP(-1121.*TCF)\n DRCACL2 = DRCACL2 *EXP(551.1*TCF) ! KELLY & WEXLER (2005) FOR CACL2.6H20\n DRK2SO4 = DRK2SO4 *EXP(35.6*TCF)\nC DRKHSO4 = DRKHSO4 *EXP( 0.*TCF)\nC DRKNO3 = DRKNO3 *EXP( 0.*TCF)\n DRKCL = DRKCL *EXP(159.*TCF)\n DRMGSO4 = DRMGSO4 *EXP(-714.45*TCF)\n DRMGNO32 = DRMGNO32*EXP(230.2*TCF) ! KELLY & WEXLER (2005) FOR MGNO32.6H20\nC DRMGCL2 = DRMGCL2 *EXP(-1860.*TCF)\n DRMGCL2 = DRMGCL2 *EXP(42.23*TCF) ! KELLY & WEXLER (2005) FOR MGCL2.6H20\nC\n ENDIF\nC\nC *** CALCULATE MUTUAL DELIQUESCENCE RELATIVE HUMIDITIES ****************\nC\n DRMLCAB = 0.378D0 ! (NH4)3H(SO4)2 & NH4HSO4\n DRMLCAS = 0.690D0 ! (NH4)3H(SO4)2 & (NH4)2SO4\n DRMASAN = 0.600D0 ! (NH4)2SO4 & NH4NO3\n DRMG1 = 0.460D0 ! (NH4)2SO4, NH4NO3, NA2SO4, NH4CL\n DRMG2 = 0.691D0 ! (NH4)2SO4, NA2SO4, NH4CL\n DRMG3 = 0.697D0 ! (NH4)2SO4, NA2SO4\n DRMH1 = 0.240D0 ! NA2SO4, NANO3, NACL, NH4NO3, NH4CL\n DRMH2 = 0.596D0 ! NA2SO4, NANO3, NACL, NH4CL\n DRMI1 = 0.240D0 ! LC, NAHSO4, NH4HSO4, NA2SO4, (NH4)2SO4\n DRMI2 = 0.363D0 ! LC, NAHSO4, NA2SO4, (NH4)2SO4 - NO DATA -\n DRMI3 = 0.610D0 ! LC, NA2SO4, (NH4)2SO4\n DRMQ1 = 0.494D0 ! (NH4)2SO4, NH4NO3, NA2SO4\n DRMR1 = 0.663D0 ! NA2SO4, NANO3, NACL\n DRMR2 = 0.735D0 ! NA2SO4, NACL\n DRMR3 = 0.673D0 ! NANO3, NACL\n DRMR4 = 0.694D0 ! NA2SO4, NACL, NH4CL\n DRMR5 = 0.731D0 ! NA2SO4, NH4CL\n DRMR6 = 0.596D0 ! NA2SO4, NANO3, NH4CL\n DRMR7 = 0.380D0 ! NA2SO4, NANO3, NACL, NH4NO3\n DRMR8 = 0.380D0 ! NA2SO4, NACL, NH4NO3\n DRMR9 = 0.494D0 ! NA2SO4, NH4NO3\n DRMR10 = 0.476D0 ! NA2SO4, NANO3, NH4NO3\n DRMR11 = 0.340D0 ! NA2SO4, NACL, NH4NO3, NH4CL\n DRMR12 = 0.460D0 ! NA2SO4, NH4NO3, NH4CL\n DRMR13 = 0.438D0 ! NA2SO4, NANO3, NH4NO3, NH4CL\nC\n DRMO1 = 0.460D0 ! (NH4)2SO4, NH4NO3, NH4Cl, NA2SO4, K2SO4, MGSO4\n DRMO2 = 0.691D0 ! (NH4)2SO4, NH4Cl, NA2SO4, K2SO4, MGSO4\n DRMO3 = 0.697D0 ! (NH4)2SO4, NA2SO4, K2SO4, MGSO4\n DRML1 = 0.240D0 ! K2SO4, MGSO4, KHSO4, NH4HSO4, NAHSO4, (NH4)2SO4, NA2SO4, LC\n DRML2 = 0.363D0 ! K2SO4, MGSO4, KHSO4, NAHSO4, (NH4)2SO4, NA2SO4, LC\n DRML3 = 0.610D0 ! K2SO4, MGSO4, KHSO4, (NH4)2SO4, NA2SO4, LC\n DRMM1 = 0.240D0 ! K2SO4, NA2SO4, MGSO4, NH4CL, NACL, NANO3, NH4NO3\n DRMM2 = 0.596D0 ! K2SO4, NA2SO4, MGSO4, NH4CL, NACL, NANO3\n DRMP1 = 0.200D0 ! CA(NO3)2, CACL2, K2SO4, KNO3, KCL, MGSO4, MG(NO3)2, MGCL2, NANO3, NACL, NH4NO3, NH4CL\n DRMP2 = 0.240D0 ! CA(NO3)2, K2SO4, KNO3, KCL, MGSO4, MG(NO3)2, MGCL2, NANO3, NACL, NH4NO3, NH4CL\n DRMP3 = 0.240D0 ! CA(NO3)2, K2SO4, KNO3, KCL, MGSO4, MG(NO3)2, NANO3, NACL, NH4NO3, NH4CL\n DRMP4 = 0.240D0 ! K2SO4, KNO3, KCL, MGSO4, MG(NO3)2, NANO3, NACL, NH4NO3, NH4CL\n DRMP5 = 0.240D0 ! K2SO4, KNO3, KCL, MGSO4, NANO3, NACL, NH4NO3, NH4CL\nCC\n DRMV1 = 0.494D0 ! (NH4)2SO4, NH4NO3, NA2SO4, K2SO4, MGSO4\nCC\nCC\nC DRMO1 = 0.1D0 ! (NH4)2SO4, NH4NO3, NH4Cl, NA2SO4, K2SO4, MGSO4\nC DRMO2 = 0.1D0 ! (NH4)2SO4, NH4Cl, NA2SO4, K2SO4, MGSO4\nC DRMO3 = 0.1D0 ! (NH4)2SO4, NA2SO4, K2SO4, MGSO4\nC DRML1 = 0.1D0 ! K2SO4, MGSO4, KHSO4, NH4HSO4, NAHSO4, (NH4)2SO4, NA2SO4, LC\nC DRML2 = 0.1D0 ! K2SO4, MGSO4, KHSO4, NAHSO4, (NH4)2SO4, NA2SO4, LC\nC DRML3 = 0.1D0 ! K2SO4, MGSO4, KHSO4, (NH4)2SO4, NA2SO4, LC\nC DRMM1 = 0.1D0 ! K2SO4, NA2SO4, MGSO4, NH4CL, NACL, NANO3, NH4NO3\nC DRMM2 = 0.1D0 ! K2SO4, NA2SO4, MGSO4, NH4CL, NACL, NANO3\nC DRMP1 = 0.1D0 ! CA(NO3)2, CACL2, K2SO4, KNO3, KCL, MGSO4, MG(NO3)2, MGCL2, NANO3, NACL, NH4NO3, NH4CL\nC DRMP2 = 0.1D0 ! CA(NO3)2, K2SO4, KNO3, KCL, MGSO4, MG(NO3)2, MGCL2, NANO3, NACL, NH4NO3, NH4CL\nC DRMP3 = 0.1D0 ! CA(NO3)2, K2SO4, KNO3, KCL, MGSO4, MG(NO3)2, NANO3, NACL, NH4NO3, NH4CL\nC DRMP4 = 0.1D0 ! K2SO4, KNO3, KCL, MGSO4, MG(NO3)2, NANO3, NACL, NH4NO3, NH4CL\nC DRMP5 = 0.1D0 ! K2SO4, KNO3, KCL, MGSO4, NANO3, NACL, NH4NO3, NH4CL\nCC\nC DRMV1 = 0.1D0 ! (NH4)2SO4, NH4NO3, NA2SO4, K2SO4, MGSO4\nC\nCCC IF (INT(TEMP) .NE. 298) THEN\nCCC T0 = 298.15d0\nCCC TCF = 1.0/TEMP - 1.0/T0\nCCC DRMLCAB = DRMLCAB*EXP( 507.506*TCF)\nCCC DRMLCAS = DRMLCAS*EXP( 133.865*TCF)\nCCC DRMASAN = DRMASAN*EXP(1269.068*TCF)\nCCC DRMG1 = DRMG1 *EXP( 572.207*TCF)\nCCC DRMG2 = DRMG2 *EXP( 58.166*TCF)\nCCC DRMG3 = DRMG3 *EXP( 22.253*TCF)\nCCC DRMH1 = DRMH1 *EXP(2116.542*TCF)\nCCC DRMH2 = DRMH2 *EXP( 650.549*TCF)\nCCC DRMI1 = DRMI1 *EXP( 565.743*TCF)\nCCC DRMI2 = DRMI2 *EXP( 91.745*TCF)\nCCC DRMI3 = DRMI3 *EXP( 161.272*TCF)\nCCC DRMQ1 = DRMQ1 *EXP(1616.621*TCF)\nCCC DRMR1 = DRMR1 *EXP( 292.564*TCF)\nCCC DRMR2 = DRMR2 *EXP( 14.587*TCF)\nCCC DRMR3 = DRMR3 *EXP( 307.907*TCF)\nCCC DRMR4 = DRMR4 *EXP( 97.605*TCF)\nCCC DRMR5 = DRMR5 *EXP( 98.523*TCF)\nCCC DRMR6 = DRMR6 *EXP( 465.500*TCF)\nCCC DRMR7 = DRMR7 *EXP( 324.425*TCF)\nCCC DRMR8 = DRMR8 *EXP(2660.184*TCF)\nCCC DRMR9 = DRMR9 *EXP(1617.178*TCF)\nCCC DRMR10 = DRMR10 *EXP(1745.226*TCF)\nCCC DRMR11 = DRMR11 *EXP(3691.328*TCF)\nCCC DRMR12 = DRMR12 *EXP(1836.842*TCF)\nCCC DRMR13 = DRMR13 *EXP(1967.938*TCF)\nCCC ENDIF\nC\nC *** LIQUID PHASE ******************************************************\nC\n CHNO3 = ZERO\n CHCL = ZERO\n CH2SO4 = ZERO\n COH = ZERO\n WATER = TINY\nC\n DO 20 I=1,NPAIR\n MOLALR(I)=ZERO\n GAMA(I) =0.1\n GAMIN(I) =GREAT\n GAMOU(I) =GREAT\n M0(I) =1d5\n 20 CONTINUE\nC\n DO 30 I=1,NPAIR\n GAMA(I) = 0.1d0\n 30 CONTINUE\nC\n DO 40 I=1,NIONS\n MOLAL(I)=ZERO\n40 CONTINUE\n COH = ZERO\nC\n DO 50 I=1,NGASAQ\n GASAQ(I)=ZERO\n50 CONTINUE\nC\nC *** SOLID PHASE *******************************************************\nC\n CNH42S4= ZERO\n CNH4HS4= ZERO\n CNACL = ZERO\n CNA2SO4= ZERO\n CNANO3 = ZERO\n CNH4NO3= ZERO\n CNH4CL = ZERO\n CNAHSO4= ZERO\n CLC = ZERO\n CCASO4 = ZERO\n CCANO32= ZERO\n CCACL2 = ZERO\n CK2SO4 = ZERO\n CKHSO4 = ZERO\n CKNO3 = ZERO\n CKCL = ZERO\n CMGSO4 = ZERO\n CMGNO32= ZERO\n CMGCL2 = ZERO\nC\nC *** GAS PHASE *********************************************************\nC\n GNH3 = ZERO\n GHNO3 = ZERO\n GHCL = ZERO\nC\nC *** CALCULATE ZSR PARAMETERS ******************************************\nC\n IRH = MIN (INT(RH*NZSR+0.5),NZSR) ! Position in ZSR arrays\n IRH = MAX (IRH, 1)\nC\n M0(01) = AWSC(IRH) ! NACl\nC IF (M0(01) .LT. 100.0) THEN\nC IC = M0(01)\nC CALL KMTAB(IC,298.0, GI0,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,\nC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nC CALL KMTAB(IC,SNGL(TEMP),GII,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,\nC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nC M0(01) = M0(01)*EXP(LN10*(GI0-GII))\nC ENDIF\nC\n M0(02) = AWSS(IRH) ! (NA)2SO4\nC IF (M0(02) .LT. 100.0) THEN\nC IC = 3.0*M0(02)\nC CALL KMTAB(IC,298.0, XX,GI0,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,\nC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nC CALL KMTAB(IC,SNGL(TEMP),XX,GII,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,\nC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nC M0(02) = M0(02)*EXP(LN10*(GI0-GII))\nC ENDIF\nC\n M0(03) = AWSN(IRH) ! NANO3\nC IF (M0(03) .LT. 100.0) THEN\nC IC = M0(03)\nC CALL KMTAB(IC,298.0, XX,XX,GI0,XX,XX,XX,XX,XX,XX,XX,XX,XX,\nC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nC CALL KMTAB(IC,SNGL(TEMP),XX,XX,GII,XX,XX,XX,XX,XX,XX,XX,XX,XX,\nC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nC M0(03) = M0(03)*EXP(LN10*(GI0-GII))\nC ENDIF\nC\n M0(04) = AWAS(IRH) ! (NH4)2SO4\nC IF (M0(04) .LT. 100.0) THEN\nC IC = 3.0*M0(04)\nC CALL KMTAB(IC,298.0, XX,XX,XX,GI0,XX,XX,XX,XX,XX,XX,XX,XX,\nC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nC CALL KMTAB(IC,SNGL(TEMP),XX,XX,XX,GII,XX,XX,XX,XX,XX,XX,XX,XX,\nC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nC M0(04) = M0(04)*EXP(LN10*(GI0-GII))\nC ENDIF\nC\n M0(05) = AWAN(IRH) ! NH4NO3\nC IF (M0(05) .LT. 100.0) THEN\nC IC = M0(05)\nC CALL KMTAB(IC,298.0, XX,XX,XX,XX,GI0,XX,XX,XX,XX,XX,XX,XX,\nC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nC CALL KMTAB(IC,SNGL(TEMP),XX,XX,XX,XX,GII,XX,XX,XX,XX,XX,XX,XX,\nC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nC M0(05) = M0(05)*EXP(LN10*(GI0-GII))\nC ENDIF\nC\n M0(06) = AWAC(IRH) ! NH4CL\nC IF (M0(06) .LT. 100.0) THEN\nC IC = M0(06)\nC CALL KMTAB(IC,298.0, XX,XX,XX,XX,XX,GI0,XX,XX,XX,XX,XX,XX,\nC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nC CALL KMTAB(IC,SNGL(TEMP),XX,XX,XX,XX,XX,GII,XX,XX,XX,XX,XX,XX,\nC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nC M0(06) = M0(06)*EXP(LN10*(GI0-GII))\nC ENDIF\nC\n M0(07) = AWSA(IRH) ! 2H-SO4\nC IF (M0(07) .LT. 100.0) THEN\nC IC = 3.0*M0(07)\nC CALL KMTAB(IC,298.0, XX,XX,XX,XX,XX,XX,GI0,XX,XX,XX,XX,XX,\nC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nC CALL KMTAB(IC,SNGL(TEMP),XX,XX,XX,XX,XX,XX,GII,XX,XX,XX,XX,XX,\nC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nC M0(07) = M0(07)*EXP(LN10*(GI0-GII))\nC ENDIF\nC\n M0(08) = AWSA(IRH) ! H-HSO4\nCCC IF (M0(08) .LT. 100.0) THEN ! These are redundant, because M0(8) is not used\nCCC IC = M0(08)\nCCC CALL KMTAB(IC,298.0, XX,XX,XX,XX,XX,XX,XX,GI0,XX,XX,XX,XX)\nCCC CALL KMTAB(IC,SNGL(TEMP),XX,XX,XX,XX,XX,XX,XX,GI0,XX,XX,XX,XX)\nCCCCCC CALL KMTAB(IC,SNGL(TEMP),XX,XX,XX,XX,XX,XX,XX,GII,XX,XX,XX,XX)\nCCC M0(08) = M0(08)*EXP(LN10*(GI0-GII))\nCCC ENDIF\nC\n M0(09) = AWAB(IRH) ! NH4HSO4\nC IF (M0(09) .LT. 100.0) THEN\nC IC = M0(09)\nC CALL KMTAB(IC,298.0, XX,XX,XX,XX,XX,XX,XX,XX,GI0,XX,XX,XX,\nC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nC CALL KMTAB(IC,SNGL(TEMP),XX,XX,XX,XX,XX,XX,XX,XX,GII,XX,XX,XX,\nC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nC M0(09) = M0(09)*EXP(LN10*(GI0-GII))\nC ENDIF\nC\n M0(12) = AWSB(IRH) ! NAHSO4\nC IF (M0(12) .LT. 100.0) THEN\nC IC = M0(12)\nC CALL KMTAB(IC,298.0, XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,GI0,\nC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nC CALL KMTAB(IC,SNGL(TEMP),XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,GII,\nC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nC M0(12) = M0(12)*EXP(LN10*(GI0-GII))\nC ENDIF\nC\n M0(13) = AWLC(IRH) ! (NH4)3H(SO4)2\nC IF (M0(13) .LT. 100.0) THEN\nC IC = 4.0*M0(13)\nC CALL KMTAB(IC,298.0, XX,XX,XX,GI0,XX,XX,XX,XX,GII,XX,XX,XX,\nC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nC G130 = 0.2*(3.0*GI0+2.0*GII)\nC CALL KMTAB(IC,SNGL(TEMP),XX,XX,XX,GI0,XX,XX,XX,XX,GII,XX,XX,XX,\nC & XX,XX,XX,XX,XX,XX,XX,XX,XX)\nC G13I = 0.2*(3.0*GI0+2.0*GII)\nC M0(13) = M0(13)*EXP(LN10*SNGL(G130-G13I))\nC ENDIF\nC\n M0(15) = AWCN(IRH) ! CA(NO3)2\nC IF (M0(15) .LT. 100.0) THEN\nC IC = M0(15)\nC CALL KMTAB(IC,298.0, XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,\nC & GI0,XX,XX,XX,XX,XX,XX,XX,XX)\nC CALL KMTAB(IC,SNGL(TEMP),XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,\nC & GII,XX,XX,XX,XX,XX,XX,XX,XX)\nC M0(15) = M0(15)*EXP(LN10*(GI0-GII))\nC ENDIF\nCC\n M0(16) = AWCC(IRH) ! CACl2\nC IF (M0(16) .LT. 100.0) THEN\nC IC = M0(16)\nC CALL KMTAB(IC,298.0, XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,\nC & XX,GI0,XX,XX,XX,XX,XX,XX,XX)\nC CALL KMTAB(IC,SNGL(TEMP),XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,\nC & XX,GII,XX,XX,XX,XX,XX,XX,XX)\nC M0(16) = M0(16)*EXP(LN10*(GI0-GII))\nC ENDIF\nC\n M0(17) = AWPS(IRH) ! K2SO4\nC IF (M0(17) .LT. 100.0) THEN\nC IC = M0(17)\nC CALL KMTAB(IC,298.0, XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,\nC & XX,XX,GI0,XX,XX,XX,XX,XX,XX)\nC CALL KMTAB(IC,SNGL(TEMP),XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,\nC & XX,XX,GII,XX,XX,XX,XX,XX,XX)\nC M0(17) = M0(17)*EXP(LN10*(GI0-GII))\nC ENDIF\nC\n M0(18) = AWPB(IRH) ! KHSO4\nC IF (M0(18) .LT. 100.0) THEN\nC IC = M0(18)\nC CALL KMTAB(IC,298.0, XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,\nC & XX,XX,XX,GI0,XX,XX,XX,XX,XX)\nC CALL KMTAB(IC,SNGL(TEMP),XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,\nC & XX,XX,XX,GII,XX,XX,XX,XX,XX)\nC M0(18) = M0(18)*EXP(LN10*(GI0-GII))\nC ENDIF\nC\n M0(19) = AWPN(IRH) ! KNO3\nC IF (M0(19) .LT. 100.0) THEN\nC IC = M0(19)\nC CALL KMTAB(IC,298.0, XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,\nC & XX,XX,XX,XX,GI0,XX,XX,XX,XX)\nC CALL KMTAB(IC,SNGL(TEMP),XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,\nC & XX,XX,XX,XX,GII,XX,XX,XX,XX)\nC M0(19) = M0(19)*EXP(LN10*(GI0-GII))\nC ENDIF\nC\n M0(20) = AWPC(IRH) ! KCl\nC IF (M0(20) .LT. 100.0) THEN\nC IC = M0(20)\nC CALL KMTAB(IC,298.0, XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,\nC & XX,XX,XX,XX,XX,GI0,XX,XX,XX)\nC CALL KMTAB(IC,SNGL(TEMP),XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,\nC & XX,XX,XX,XX,XX,GII,XX,XX,XX)\nC M0(20) = M0(20)*EXP(LN10*(GI0-GII))\nC ENDIF\nC\n M0(21) = AWMS(IRH) ! MGSO4\nC IF (M0(21) .LT. 100.0) THEN\nC IC = M0(21)\nC CALL KMTAB(IC,298.0, XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,\nC & XX,XX,XX,XX,XX,XX,GI0,XX,XX)\nC CALL KMTAB(IC,SNGL(TEMP),XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,\nC & XX,XX,XX,XX,XX,XX,GII,XX,XX)\nC M0(21) = M0(21)*EXP(LN10*(GI0-GII))\nC ENDIF\nC\n M0(22) = AWMN(IRH) ! MG(NO3)2\nC IF (M0(22) .LT. 100.0) THEN\nC IC = M0(22)\nC CALL KMTAB(IC,298.0, XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,\nC & XX,XX,XX,XX,XX,XX,XX,GI0,XX)\nC CALL KMTAB(IC,SNGL(TEMP),XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,\nC & XX,XX,XX,XX,XX,XX,XX,GII,XX)\nC M0(22) = M0(22)*EXP(LN10*(GI0-GII))\nC ENDIF\nC\n M0(23) = AWMC(IRH) ! MGCL2\nC IF (M0(23) .LT. 100.0) THEN\nC IC = M0(23)\nC CALL KMTAB(IC,298.0, XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,\nC & XX,XX,XX,XX,XX,XX,XX,XX,GI0)\nC CALL KMTAB(IC,SNGL(TEMP),XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,XX,\nC & XX,XX,XX,XX,XX,XX,XX,XX,GII)\nC M0(23) = M0(23)*EXP(LN10*(GI0-GII))\nC ENDIF\nC\nC *** OTHER INITIALIZATIONS *********************************************\nC\n ICLACT = 0\n CALAOU = .TRUE.\n CALAIN = .TRUE.\n FRST = .TRUE.\n SCASE = '??'\n SULRATW = 2.D0\n SO4RAT = 2.D0\n CRNARAT = 2.D0\n CRRAT = 2.D0\n NOFER = 0\n STKOFL =.FALSE.\n DO 60 I=1,NERRMX\n ERRSTK(I) =-999\n ERRMSG(I) = 'MESSAGE N/A'\n 60 CONTINUE\nC\nC *** END OF SUBROUTINE INIT4 *******************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE ADJUST\nC *** ADJUSTS FOR MASS BALANCE BETWEEN VOLATILE SPECIES AND SULFATE\nC FIRST CALCULATE THE EXCESS OF EACH PRECURSOR, AND IF IT EXISTS, THEN\nC ADJUST SEQUENTIALY AEROSOL PHASE SPECIES WHICH CONTAIN THE EXCESS\nC PRECURSOR.\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE ADJUST (WI)\n INCLUDE 'isrpia.inc'\n DOUBLE PRECISION WI(*)\nC\nC *** FOR AMMONIUM *****************************************************\nC\n IF (IPROB.EQ.0) THEN ! Calculate excess (solution - input)\n EXNH4 = GNH3 + MOLAL(3) + CNH4CL + CNH4NO3 + CNH4HS4\n & + 2D0*CNH42S4 + 3D0*CLC\n & -WI(3)\n ELSE\n EXNH4 = MOLAL(3) + CNH4CL + CNH4NO3 + CNH4HS4 + 2D0*CNH42S4\n & + 3D0*CLC\n & -WI(3)\n\n ENDIF\n EXNH4 = MAX(EXNH4,ZERO)\n IF (EXNH4.LT.TINY) GOTO 20 ! No excess NH4, go to next precursor\nC\n IF (MOLAL(3).GT.EXNH4) THEN ! Adjust aqueous phase NH4\n MOLAL(3) = MOLAL(3) - EXNH4\n GOTO 20\n ELSE\n EXNH4 = EXNH4 - MOLAL(3)\n MOLAL(3) = ZERO\n ENDIF\nC\n IF (CNH4CL.GT.EXNH4) THEN ! Adjust NH4Cl(s)\n CNH4CL = CNH4CL - EXNH4 ! more solid than excess\n GHCL = GHCL + EXNH4 ! evaporate Cl to gas phase\n GOTO 20\n ELSE ! less solid than excess\n GHCL = GHCL + CNH4CL ! evaporate into gas phase\n EXNH4 = EXNH4 - CNH4CL ! reduce excess\n CNH4CL = ZERO ! zero salt concentration\n ENDIF\nC\n IF (CNH4NO3.GT.EXNH4) THEN ! Adjust NH4NO3(s)\n CNH4NO3 = CNH4NO3- EXNH4 ! more solid than excess\n GHNO3 = GHNO3 + EXNH4 ! evaporate NO3 to gas phase\n GOTO 20\n ELSE ! less solid than excess\n GHNO3 = GHNO3 + CNH4NO3! evaporate into gas phase\n EXNH4 = EXNH4 - CNH4NO3! reduce excess\n CNH4NO3 = ZERO ! zero salt concentration\n ENDIF\nC\n IF (CLC.GT.3d0*EXNH4) THEN ! Adjust (NH4)3H(SO4)2(s)\n CLC = CLC - EXNH4/3d0 ! more solid than excess\n GOTO 20\n ELSE ! less solid than excess\n EXNH4 = EXNH4 - 3d0*CLC ! reduce excess\n CLC = ZERO ! zero salt concentration\n ENDIF\nC\n IF (CNH4HS4.GT.EXNH4) THEN ! Adjust NH4HSO4(s)\n CNH4HS4 = CNH4HS4- EXNH4 ! more solid than excess\n GOTO 20\n ELSE ! less solid than excess\n EXNH4 = EXNH4 - CNH4HS4! reduce excess\n CNH4HS4 = ZERO ! zero salt concentration\n ENDIF\nC\n IF (CNH42S4.GT.EXNH4) THEN ! Adjust (NH4)2SO4(s)\n CNH42S4 = CNH42S4- EXNH4 ! more solid than excess\n GOTO 20\n ELSE ! less solid than excess\n EXNH4 = EXNH4 - CNH42S4! reduce excess\n CNH42S4 = ZERO ! zero salt concentration\n ENDIF\nC\nC *** FOR NITRATE ******************************************************\nC\n 20 IF (IPROB.EQ.0) THEN ! Calculate excess (solution - input)\n EXNO3 = GHNO3 + MOLAL(7) + CNH4NO3\n & -WI(4)\n ELSE\n EXNO3 = MOLAL(7) + CNH4NO3\n & -WI(4)\n ENDIF\n EXNO3 = MAX(EXNO3,ZERO)\n IF (EXNO3.LT.TINY) GOTO 30 ! No excess NO3, go to next precursor\nC\n IF (MOLAL(7).GT.EXNO3) THEN ! Adjust aqueous phase NO3\n MOLAL(7) = MOLAL(7) - EXNO3\n GOTO 30\n ELSE\n EXNO3 = EXNO3 - MOLAL(7)\n MOLAL(7) = ZERO\n ENDIF\nC\n IF (CNH4NO3.GT.EXNO3) THEN ! Adjust NH4NO3(s)\n CNH4NO3 = CNH4NO3- EXNO3 ! more solid than excess\n GNH3 = GNH3 + EXNO3 ! evaporate NO3 to gas phase\n GOTO 30\n ELSE ! less solid than excess\n GNH3 = GNH3 + CNH4NO3! evaporate into gas phase\n EXNO3 = EXNO3 - CNH4NO3! reduce excess\n CNH4NO3 = ZERO ! zero salt concentration\n ENDIF\nC\nC *** FOR CHLORIDE *****************************************************\nC\n 30 IF (IPROB.EQ.0) THEN ! Calculate excess (solution - input)\n EXCl = GHCL + MOLAL(4) + CNH4CL\n & -WI(5)\n ELSE\n EXCl = MOLAL(4) + CNH4CL\n & -WI(5)\n ENDIF\n EXCl = MAX(EXCl,ZERO)\n IF (EXCl.LT.TINY) GOTO 40 ! No excess Cl, go to next precursor\nC\n IF (MOLAL(4).GT.EXCL) THEN ! Adjust aqueous phase Cl\n MOLAL(4) = MOLAL(4) - EXCL\n GOTO 40\n ELSE\n EXCL = EXCL - MOLAL(4)\n MOLAL(4) = ZERO\n ENDIF\nC\n IF (CNH4CL.GT.EXCL) THEN ! Adjust NH4Cl(s)\n CNH4CL = CNH4CL - EXCL ! more solid than excess\n GHCL = GHCL + EXCL ! evaporate Cl to gas phase\n GOTO 40\n ELSE ! less solid than excess\n GHCL = GHCL + CNH4CL ! evaporate into gas phase\n EXCL = EXCL - CNH4CL ! reduce excess\n CNH4CL = ZERO ! zero salt concentration\n ENDIF\nC\nC *** FOR SULFATE ******************************************************\nC\n 40 EXS4 = MOLAL(5) + MOLAL(6) + 2.d0*CLC + CNH42S4 + CNH4HS4 +\n & CNA2SO4 + CNAHSO4 - WI(2)\n EXS4 = MAX(EXS4,ZERO) ! Calculate excess (solution - input)\n IF (EXS4.LT.TINY) GOTO 50 ! No excess SO4, return\nC\n IF (MOLAL(6).GT.EXS4) THEN ! Adjust aqueous phase HSO4\n MOLAL(6) = MOLAL(6) - EXS4\n GOTO 50\n ELSE\n EXS4 = EXS4 - MOLAL(6)\n MOLAL(6) = ZERO\n ENDIF\nC\n IF (MOLAL(5).GT.EXS4) THEN ! Adjust aqueous phase SO4\n MOLAL(5) = MOLAL(5) - EXS4\n GOTO 50\n ELSE\n EXS4 = EXS4 - MOLAL(5)\n MOLAL(5) = ZERO\n ENDIF\nC\n IF (CLC.GT.2d0*EXS4) THEN ! Adjust (NH4)3H(SO4)2(s)\n CLC = CLC - EXS4/2d0 ! more solid than excess\n GNH3 = GNH3 +1.5d0*EXS4! evaporate NH3 to gas phase\n GOTO 50\n ELSE ! less solid than excess\n GNH3 = GNH3 + 1.5d0*CLC! evaporate NH3 to gas phase\n EXS4 = EXS4 - 2d0*CLC ! reduce excess\n CLC = ZERO ! zero salt concentration\n ENDIF\nC\n IF (CNH4HS4.GT.EXS4) THEN ! Adjust NH4HSO4(s)\n CNH4HS4 = CNH4HS4 - EXS4 ! more solid than excess\n GNH3 = GNH3 + EXS4 ! evaporate NH3 to gas phase\n GOTO 50\n ELSE ! less solid than excess\n GNH3 = GNH3 + CNH4HS4 ! evaporate NH3 to gas phase\n EXS4 = EXS4 - CNH4HS4 ! reduce excess\n CNH4HS4 = ZERO ! zero salt concentration\n ENDIF\nC\n IF (CNH42S4.GT.EXS4) THEN ! Adjust (NH4)2SO4(s)\n CNH42S4 = CNH42S4- EXS4 ! more solid than excess\n GNH3 = GNH3 + 2.d0*EXS4! evaporate NH3 to gas phase\n GOTO 50\n ELSE ! less solid than excess\n GNH3 = GNH3+2.d0*CNH42S4 ! evaporate NH3 to gas phase\n EXS4 = EXS4 - CNH42S4 ! reduce excess\n CNH42S4 = ZERO ! zero salt concentration\n ENDIF\nC\nC *** RETURN **********************************************************\nC\n 50 RETURN\n END\n \nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** FUNCTION GETASR\nC *** CALCULATES THE LIMITING NH4+/SO4 RATIO OF A SULFATE POOR SYSTEM\nC (i.e. SULFATE RATIO = 2.0) FOR GIVEN SO4 LEVEL AND RH\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n DOUBLE PRECISION FUNCTION GETASR (SO4I, RHI)\n PARAMETER (NSO4S=14, NRHS=20, NASRD=NSO4S*NRHS)\n COMMON /ASRC/ ASRAT(NASRD), ASSO4(NSO4S)\n DOUBLE PRECISION SO4I, RHI\nCCC\nCCC *** SOLVE USING FULL COMPUTATIONS, NOT LOOK-UP TABLES **************\nCCC\nCCC W(2) = WAER(2)\nCCC W(3) = WAER(2)*2.0001D0\nCCC CALL CALCA2\nCCC SULRATW = MOLAL(3)/WAER(2)\nCCC CALL INIT1 (WI, RHI, TEMPI) ! Re-initialize COMMON BLOCK\nC\nC *** CALCULATE INDICES ************************************************\nC\n RAT = SO4I/1.E-9 \n A1 = INT(ALOG10(RAT)) ! Magnitude of RAT\n IA1 = INT(RAT/2.5/10.0**A1)\nC\n INDS = 4.0*A1 + MIN(IA1,4)\n INDS = MIN(MAX(0, INDS), NSO4S-1) + 1 ! SO4 component of IPOS\nC\n INDR = INT(99.0-RHI*100.0) + 1\n INDR = MIN(MAX(1, INDR), NRHS) ! RH component of IPOS\nC\nC *** GET VALUE AND RETURN *********************************************\nC\n INDSL = INDS\n INDSH = MIN(INDSL+1, NSO4S)\n IPOSL = (INDSL-1)*NRHS + INDR ! Low position in array\n IPOSH = (INDSH-1)*NRHS + INDR ! High position in array\nC\n WF = (SO4I-ASSO4(INDSL))/(ASSO4(INDSH)-ASSO4(INDSL) + 1e-7)\n WF = MIN(MAX(WF, 0.0), 1.0)\nC\n GETASR = WF*ASRAT(IPOSH) + (1.0-WF)*ASRAT(IPOSL)\nC\nC *** END OF FUNCTION GETASR *******************************************\nC\n RETURN\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** BLOCK DATA AERSR\nC *** CONTAINS DATA FOR AEROSOL SULFATE RATIO ARRAY NEEDED IN FUNCTION \nC GETASR\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n BLOCK DATA AERSR\n PARAMETER (NSO4S=14, NRHS=20, NASRD=NSO4S*NRHS)\n COMMON /ASRC/ ASRAT(NASRD), ASSO4(NSO4S)\nC\n DATA ASSO4/1.0E-9, 2.5E-9, 5.0E-9, 7.5E-9, 1.0E-8,\n & 2.5E-8, 5.0E-8, 7.5E-8, 1.0E-7, 2.5E-7, \n & 5.0E-7, 7.5E-7, 1.0E-6, 5.0E-6/\nC\n DATA (ASRAT(I), I=1,280)/\n & 1.020464, 0.9998130, 0.9960167, 0.9984423, 1.004004,\n & 1.010885, 1.018356, 1.026726, 1.034268, 1.043846,\n & 1.052933, 1.062230, 1.062213, 1.080050, 1.088350,\n & 1.096603, 1.104289, 1.111745, 1.094662, 1.121594,\n & 1.268909, 1.242444, 1.233815, 1.232088, 1.234020,\n & 1.238068, 1.243455, 1.250636, 1.258734, 1.267543,\n & 1.276948, 1.286642, 1.293337, 1.305592, 1.314726,\n & 1.323463, 1.333258, 1.343604, 1.344793, 1.355571,\n & 1.431463, 1.405204, 1.395791, 1.393190, 1.394403,\n & 1.398107, 1.403811, 1.411744, 1.420560, 1.429990,\n & 1.439742, 1.449507, 1.458986, 1.468403, 1.477394,\n & 1.487373, 1.495385, 1.503854, 1.512281, 1.520394,\n & 1.514464, 1.489699, 1.480686, 1.478187, 1.479446,\n & 1.483310, 1.489316, 1.497517, 1.506501, 1.515816,\n & 1.524724, 1.533950, 1.542758, 1.551730, 1.559587,\n & 1.568343, 1.575610, 1.583140, 1.590440, 1.596481,\n & 1.567743, 1.544426, 1.535928, 1.533645, 1.535016,\n & 1.539003, 1.545124, 1.553283, 1.561886, 1.570530,\n & 1.579234, 1.587813, 1.595956, 1.603901, 1.611349,\n & 1.618833, 1.625819, 1.632543, 1.639032, 1.645276,\n & 1.707390, 1.689553, 1.683198, 1.681810, 1.683490,\n & 1.687477, 1.693148, 1.700084, 1.706917, 1.713507,\n & 1.719952, 1.726190, 1.731985, 1.737544, 1.742673,\n & 1.747756, 1.752431, 1.756890, 1.761141, 1.765190,\n & 1.785657, 1.771851, 1.767063, 1.766229, 1.767901,\n & 1.771455, 1.776223, 1.781769, 1.787065, 1.792081,\n & 1.796922, 1.801561, 1.805832, 1.809896, 1.813622,\n & 1.817292, 1.820651, 1.823841, 1.826871, 1.829745,\n & 1.822215, 1.810497, 1.806496, 1.805898, 1.807480,\n & 1.810684, 1.814860, 1.819613, 1.824093, 1.828306,\n & 1.832352, 1.836209, 1.839748, 1.843105, 1.846175,\n & 1.849192, 1.851948, 1.854574, 1.857038, 1.859387,\n & 1.844588, 1.834208, 1.830701, 1.830233, 1.831727,\n & 1.834665, 1.838429, 1.842658, 1.846615, 1.850321,\n & 1.853869, 1.857243, 1.860332, 1.863257, 1.865928,\n & 1.868550, 1.870942, 1.873208, 1.875355, 1.877389,\n & 1.899556, 1.892637, 1.890367, 1.890165, 1.891317,\n & 1.893436, 1.896036, 1.898872, 1.901485, 1.903908,\n & 1.906212, 1.908391, 1.910375, 1.912248, 1.913952,\n & 1.915621, 1.917140, 1.918576, 1.919934, 1.921220,\n & 1.928264, 1.923245, 1.921625, 1.921523, 1.922421,\n & 1.924016, 1.925931, 1.927991, 1.929875, 1.931614,\n & 1.933262, 1.934816, 1.936229, 1.937560, 1.938769,\n & 1.939951, 1.941026, 1.942042, 1.943003, 1.943911,\n & 1.941205, 1.937060, 1.935734, 1.935666, 1.936430,\n & 1.937769, 1.939359, 1.941061, 1.942612, 1.944041,\n & 1.945393, 1.946666, 1.947823, 1.948911, 1.949900,\n & 1.950866, 1.951744, 1.952574, 1.953358, 1.954099,\n & 1.948985, 1.945372, 1.944221, 1.944171, 1.944850,\n & 1.946027, 1.947419, 1.948902, 1.950251, 1.951494,\n & 1.952668, 1.953773, 1.954776, 1.955719, 1.956576,\n & 1.957413, 1.958174, 1.958892, 1.959571, 1.960213,\n & 1.977193, 1.975540, 1.975023, 1.975015, 1.975346,\n & 1.975903, 1.976547, 1.977225, 1.977838, 1.978401,\n & 1.978930, 1.979428, 1.979879, 1.980302, 1.980686,\n & 1.981060, 1.981401, 1.981722, 1.982025, 1.982312/\nC\nC *** END OF BLOCK DATA AERSR ******************************************\nC\n END\n\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCHA\nC *** CALCULATES CHLORIDES SPECIATION\nC\nC HYDROCHLORIC ACID IN THE LIQUID PHASE IS ASSUMED A MINOR SPECIES, \nC AND DOES NOT SIGNIFICANTLY PERTURB THE HSO4-SO4 EQUILIBRIUM. THE \nC HYDROCHLORIC ACID DISSOLVED IS CALCULATED FROM THE \nC HCL(G) <-> (H+) + (CL-) \nC EQUILIBRIUM, USING THE (H+) FROM THE SULFATES.\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCHA\n INCLUDE 'isrpia.inc'\n DOUBLE PRECISION KAPA\nCC CHARACTER ERRINF*40\nC\nC *** CALCULATE HCL DISSOLUTION *****************************************\nC\n X = W(5) \n DELT = 0.0d0\n IF (WATER.GT.TINY) THEN\n KAPA = MOLAL(1)\n ALFA = XK3*R*TEMP*(WATER/GAMA(11))**2.0\n DIAK = SQRT( (KAPA+ALFA)**2.0 + 4.0*ALFA*X)\n DELT = 0.5*(-(KAPA+ALFA) + DIAK)\nCC IF (DELT/KAPA.GT.0.1d0) THEN\nCC WRITE (ERRINF,'(1PE10.3)') DELT/KAPA*100.0\nCC CALL PUSHERR (0033, ERRINF) \nCC ENDIF\n ENDIF\nC\nC *** CALCULATE HCL SPECIATION IN THE GAS PHASE *************************\nC\n GHCL = MAX(X-DELT, 0.0d0) ! GAS HCL\nC\nC *** CALCULATE HCL SPECIATION IN THE LIQUID PHASE **********************\nC\n MOLAL(4) = DELT ! CL-\n MOLAL(1) = MOLAL(1) + DELT ! H+ \nC \n RETURN\nC\nC *** END OF SUBROUTINE CALCHA ******************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCHAP\nC *** CALCULATES CHLORIDES SPECIATION\nC\nC HYDROCHLORIC ACID IN THE LIQUID PHASE IS ASSUMED A MINOR SPECIES, \nC THAT DOES NOT SIGNIFICANTLY PERTURB THE HSO4-SO4 EQUILIBRIUM. \nC THE HYDROCHLORIC ACID DISSOLVED IS CALCULATED FROM THE \nC HCL(G) -> HCL(AQ) AND HCL(AQ) -> (H+) + (CL-) \nC EQUILIBRIA, USING (H+) FROM THE SULFATES.\nC\nC THIS IS THE VERSION USED BY THE INVERSE PROBLEM SOVER\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCHAP\n INCLUDE 'isrpia.inc'\nC\nC *** IS THERE A LIQUID PHASE? ******************************************\nC\n IF (WATER.LE.TINY) RETURN\nC\nC *** CALCULATE HCL SPECIATION IN THE GAS PHASE *************************\nC\n CALL CALCCLAQ (MOLAL(4), MOLAL(1), DELT)\n ALFA = XK3*R*TEMP*(WATER/GAMA(11))**2.0\n GASAQ(3) = DELT\n MOLAL(1) = MOLAL(1) - DELT\n MOLAL(4) = MOLAL(4) - DELT\n GHCL = MOLAL(1)*MOLAL(4)/ALFA\nC \n RETURN\nC\nC *** END OF SUBROUTINE CALCHAP *****************************************\nC\n END\n\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCNA\nC *** CALCULATES NITRATES SPECIATION\nC\nC NITRIC ACID IN THE LIQUID PHASE IS ASSUMED A MINOR SPECIES, THAT \nC DOES NOT SIGNIFICANTLY PERTURB THE HSO4-SO4 EQUILIBRIUM. THE NITRIC\nC ACID DISSOLVED IS CALCULATED FROM THE HNO3(G) -> (H+) + (NO3-) \nC EQUILIBRIUM, USING THE (H+) FROM THE SULFATES.\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCNA\n INCLUDE 'isrpia.inc'\n DOUBLE PRECISION KAPA\nCC CHARACTER ERRINF*40\nC\nC *** CALCULATE HNO3 DISSOLUTION ****************************************\nC\n X = W(4) \n DELT = 0.0d0\n IF (WATER.GT.TINY) THEN\n KAPA = MOLAL(1)\n ALFA = XK4*R*TEMP*(WATER/GAMA(10))**2.0\n DIAK = SQRT( (KAPA+ALFA)**2.0 + 4.0*ALFA*X)\n DELT = 0.5*(-(KAPA+ALFA) + DIAK)\nCC IF (DELT/KAPA.GT.0.1d0) THEN\nCC WRITE (ERRINF,'(1PE10.3)') DELT/KAPA*100.0\nCC CALL PUSHERR (0019, ERRINF) ! WARNING ERROR: NO SOLUTION\nCC ENDIF\n ENDIF\nC\nC *** CALCULATE HNO3 SPECIATION IN THE GAS PHASE ************************\nC\n GHNO3 = MAX(X-DELT, 0.0d0) ! GAS HNO3\nC\nC *** CALCULATE HNO3 SPECIATION IN THE LIQUID PHASE *********************\nC\n MOLAL(7) = DELT ! NO3-\n MOLAL(1) = MOLAL(1) + DELT ! H+ \nC \n RETURN\nC\nC *** END OF SUBROUTINE CALCNA ******************************************\nC\n END\n\n\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCNAP\nC *** CALCULATES NITRATES SPECIATION\nC\nC NITRIC ACID IN THE LIQUID PHASE IS ASSUMED A MINOR SPECIES, THAT \nC DOES NOT SIGNIFICANTLY PERTURB THE HSO4-SO4 EQUILIBRIUM. THE NITRIC\nC ACID DISSOLVED IS CALCULATED FROM THE HNO3(G) -> HNO3(AQ) AND\nC HNO3(AQ) -> (H+) + (CL-) EQUILIBRIA, USING (H+) FROM THE SULFATES.\nC\nC THIS IS THE VERSION USED BY THE INVERSE PROBLEM SOVER\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCNAP\n INCLUDE 'isrpia.inc'\nC\nC *** IS THERE A LIQUID PHASE? ******************************************\nC\n IF (WATER.LE.TINY) RETURN\nC\nC *** CALCULATE HNO3 SPECIATION IN THE GAS PHASE ************************\nC\n CALL CALCNIAQ (MOLAL(7), MOLAL(1), DELT)\n ALFA = XK4*R*TEMP*(WATER/GAMA(10))**2.0\n GASAQ(3) = DELT\n MOLAL(1) = MOLAL(1) - DELT\n MOLAL(7) = MOLAL(7) - DELT\n GHNO3 = MOLAL(1)*MOLAL(7)/ALFA\n \n write (*,*) ALFA, MOLAL(1), MOLAL(7), GHNO3, DELT\nC \n RETURN\nC\nC *** END OF SUBROUTINE CALCNAP *****************************************\nC\n END\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCNH3\nC *** CALCULATES AMMONIA IN GAS PHASE\nC\nC AMMONIA IN THE GAS PHASE IS ASSUMED A MINOR SPECIES, THAT \nC DOES NOT SIGNIFICANTLY PERTURB THE AEROSOL EQUILIBRIUM. \nC AMMONIA GAS IS CALCULATED FROM THE NH3(g) + (H+)(l) <==> (NH4+)(l)\nC EQUILIBRIUM, USING (H+), (NH4+) FROM THE AEROSOL SOLUTION.\nC\nC THIS IS THE VERSION USED BY THE DIRECT PROBLEM\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCNH3\n INCLUDE 'isrpia.inc'\nC\nC *** IS THERE A LIQUID PHASE? ******************************************\nC\n IF (WATER.LE.TINY) RETURN\nC\nC *** CALCULATE NH3 SUBLIMATION *****************************************\nC\n A1 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2.0\n CHI1 = MOLAL(3)\n CHI2 = MOLAL(1)\nC\n BB =(CHI2 + ONE/A1) ! a=1; b!=1; c!=1 \n CC =-CHI1/A1 \n DIAK = SQRT(BB*BB - 4.D0*CC) ! Always > 0\n PSI = 0.5*(-BB + DIAK) ! One positive root\n PSI = MAX(TINY, MIN(PSI,CHI1))! Constrict in acceptible range\nC\nC *** CALCULATE NH3 SPECIATION IN THE GAS PHASE *************************\nC\n GNH3 = PSI ! GAS HNO3\nC\nC *** CALCULATE NH3 AFFECT IN THE LIQUID PHASE **************************\nC\n MOLAL(3) = CHI1 - PSI ! NH4+\n MOLAL(1) = CHI2 + PSI ! H+ \nC \n RETURN\nC\nC *** END OF SUBROUTINE CALCNH3 *****************************************\nC\n END\n\n\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCNH3P\nC *** CALCULATES AMMONIA IN GAS PHASE\nC\nC AMMONIA GAS IS CALCULATED FROM THE NH3(g) + (H+)(l) <==> (NH4+)(l)\nC EQUILIBRIUM, USING (H+), (NH4+) FROM THE AEROSOL SOLUTION.\nC\nC THIS IS THE VERSION USED BY THE INVERSE PROBLEM SOLVER\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCNH3P\n INCLUDE 'isrpia.inc'\nC\nC *** IS THERE A LIQUID PHASE? ******************************************\nC\n IF (WATER.LE.TINY) RETURN\nC\nC *** CALCULATE NH3 GAS PHASE CONCENTRATION *****************************\nC\n A1 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2.0\n GNH3 = MOLAL(3)/MOLAL(1)/A1\nC \n RETURN\nC\nC *** END OF SUBROUTINE CALCNH3P ****************************************\nC\n END\n\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCNHA\nC\nC THIS SUBROUTINE CALCULATES THE DISSOLUTION OF HCL, HNO3 AT\nC THE PRESENCE OF (H,SO4). HCL, HNO3 ARE CONSIDERED MINOR SPECIES,\nC THAT DO NOT SIGNIFICANTLY AFFECT THE EQUILIBRIUM POINT.\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCNHA\n INCLUDE 'isrpia.inc'\n DOUBLE PRECISION M1, M2, M3\n CHARACTER ERRINF*40 \nC\nC *** SPECIAL CASE; WATER=ZERO ******************************************\nC\n IF (WATER.LE.TINY) THEN\n GOTO 55\nC\nC *** SPECIAL CASE; HCL=HNO3=ZERO ***************************************\nC\n ELSEIF (W(5).LE.TINY .AND. W(4).LE.TINY) THEN\n GOTO 60\nC\nC *** SPECIAL CASE; HCL=ZERO ********************************************\nC\n ELSE IF (W(5).LE.TINY) THEN\n CALL CALCNA ! CALL HNO3 DISSOLUTION ROUTINE\n GOTO 60\nC\nC *** SPECIAL CASE; HNO3=ZERO *******************************************\nC\n ELSE IF (W(4).LE.TINY) THEN\n CALL CALCHA ! CALL HCL DISSOLUTION ROUTINE\n GOTO 60\n ENDIF\nC\nC *** CALCULATE EQUILIBRIUM CONSTANTS ***********************************\nC\n A3 = XK4*R*TEMP*(WATER/GAMA(10))**2.0 ! HNO3\n A4 = XK3*R*TEMP*(WATER/GAMA(11))**2.0 ! HCL\nC\nC *** CALCULATE CUBIC EQUATION COEFFICIENTS *****************************\nC\n DELCL = ZERO\n DELNO = ZERO\nC\n OMEGA = MOLAL(1) ! H+\n CHI3 = W(4) ! HNO3\n CHI4 = W(5) ! HCL\nC\n C1 = A3*CHI3\n C2 = A4*CHI4\n C3 = A3 - A4\nC\n M1 = (C1 + C2 + (OMEGA+A4)*C3)/C3\n M2 = ((OMEGA+A4)*C2 - A4*C3*CHI4)/C3\n M3 =-A4*C2*CHI4/C3\nC\nC *** CALCULATE ROOTS ***************************************************\nC\n CALL POLY3 (M1, M2, M3, DELCL, ISLV) ! HCL DISSOLUTION\n IF (ISLV.NE.0) THEN\n DELCL = TINY ! TINY AMOUNTS OF HCL ASSUMED WHEN NO ROOT \n WRITE (ERRINF,'(1PE8.1)') TINY\n CALL PUSHERR (0022, ERRINF) ! WARNING ERROR: NO SOLUTION\n ENDIF\n DELCL = MIN(DELCL, CHI4)\nC\n DELNO = C1*DELCL/(C2 + C3*DELCL) \n DELNO = MIN(DELNO, CHI3)\nC\n IF (DELCL.LT.ZERO .OR. DELNO.LT.ZERO .OR.\n & DELCL.GT.CHI4 .OR. DELNO.GT.CHI3 ) THEN\n DELCL = TINY ! TINY AMOUNTS OF HCL ASSUMED WHEN NO ROOT \n DELNO = TINY\n WRITE (ERRINF,'(1PE8.1)') TINY\n CALL PUSHERR (0022, ERRINF) ! WARNING ERROR: NO SOLUTION\n ENDIF\nCCC\nCCC *** COMPARE DELTA TO TOTAL H+ ; ESTIMATE EFFECT TO HSO4 ***************\nCCC\nCC IF ((DELCL+DELNO)/MOLAL(1).GT.0.1d0) THEN\nCC WRITE (ERRINF,'(1PE10.3)') (DELCL+DELNO)/MOLAL(1)*100.0\nCC CALL PUSHERR (0021, ERRINF) \nCC ENDIF\nC\nC *** EFFECT ON LIQUID PHASE ********************************************\nC\n50 MOLAL(1) = MOLAL(1) + (DELNO+DELCL) ! H+ CHANGE\n MOLAL(4) = MOLAL(4) + DELCL ! CL- CHANGE\n MOLAL(7) = MOLAL(7) + DELNO ! NO3- CHANGE\nC\nC *** EFFECT ON GAS PHASE ***********************************************\nC\n55 GHCL = MAX(W(5) - MOLAL(4), TINY)\n GHNO3 = MAX(W(4) - MOLAL(7), TINY)\nC\n60 RETURN\nC\nC *** END OF SUBROUTINE CALCNHA *****************************************\nC\n END\n\n\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCNHP\nC\nC THIS SUBROUTINE CALCULATES THE GAS PHASE NITRIC AND HYDROCHLORIC\nC ACID. CONCENTRATIONS ARE CALCULATED FROM THE DISSOLUTION \nC EQUILIBRIA, USING (H+), (Cl-), (NO3-) IN THE AEROSOL PHASE.\nC\nC THIS IS THE VERSION USED BY THE INVERSE PROBLEM SOLVER\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCNHP\n INCLUDE 'isrpia.inc'\nC\nC *** IS THERE A LIQUID PHASE? ******************************************\nC\n IF (WATER.LE.TINY) RETURN\nC\nC *** CALCULATE EQUILIBRIUM CONSTANTS ***********************************\nC\n A3 = XK3*R*TEMP*(WATER/GAMA(11))**2.0\n A4 = XK4*R*TEMP*(WATER/GAMA(10))**2.0\n MOLAL(1) = MOLAL(1) + WAER(4) + WAER(5) ! H+ increases because NO3, Cl are added.\nC\nC *** CALCULATE CONCENTRATIONS ******************************************\nC *** ASSUME THAT 'DELT' FROM HNO3 >> 'DELT' FROM HCL\nC\n CALL CALCNIAQ (WAER(4), MOLAL(1)+MOLAL(7)+MOLAL(4), DELT)\n MOLAL(1) = MOLAL(1) - DELT \n MOLAL(7) = WAER(4) - DELT ! NO3- = Waer(4) minus any turned into (HNO3aq)\n GASAQ(3) = DELT\nC\n CALL CALCCLAQ (WAER(5), MOLAL(1)+MOLAL(7)+MOLAL(4), DELT)\n MOLAL(1) = MOLAL(1) - DELT\n MOLAL(4) = WAER(5) - DELT ! Cl- = Waer(4) minus any turned into (HNO3aq)\n GASAQ(2) = DELT\nC\n GHNO3 = MOLAL(1)*MOLAL(7)/A4\n GHCL = MOLAL(1)*MOLAL(4)/A3\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCNHP *****************************************\nC\n END\n \nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCHCO3\nC *** CORRECTS FOR H+ WHEN CRUSTALS ARE IN EXCESS\nC\nC CARBONATES ARE IN EXCESS, HCO3- IS ASSUMED A MINOR SPECIES,\nC THE H+ CONCENTRATION IS CALCULATED FROM THE\nC CO2(aq) + H2O <-> (HCO3-) + (H+)\nC HCO3- <-> (H+) + (CO3--) EQUILIBRIUM.\nC THE CO3-- CONCENTRATION IS ASSUMED NEGLIGIBLE WITH RESPECT TO HCO3-\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\nC SUBROUTINE CALCHCO3\nC INCLUDE 'isrpia.inc'\nC DOUBLE PRECISION KAPA\nCCC CHARACTER ERRINF*40\nCC\nCC *** SPECIAL CASE; WATER=ZERO ******************************************\nCC\nC IF (WATER.LE.TINY) THEN\nC GOTO 521\nC ENDIF\nCC\nCC *** CALCULATE CO2 DISSOLUTION *****************************************\nCC\nC REST = 2.D0*W(2) + W(4) + W(5)\nCC\nC DELT = 0.0d0\nCC DELT2 = 0.0d0\nC IF (W(1)+W(6)+W(7)+W(8).GT.REST) THEN\nC KAPA = MOLAL(1)\nCC\nCC *** CALCULATE EQUILIBRIUM CONSTANTS ***********************************\nCC\nC ALFA = XK26*RH*(WATER/1.0) ! CO2(aq) + H2O\nCC ALFA2 = XK27*(WATER/1.0) ! HCO3-\nCC\nCC *** CALCULATE CUBIC EQUATION COEFFICIENTS *****************************\nCC\nC X = W(1)+W(6)+W(7)+W(8) - REST ! EXCESS OF CRUSTALS EQUALS HCO3-\nCC\nC BB =-(KAPA + X + ALFA)\nC CC = KAPA*X\nC DD = BB*BB - 4.D0*CC\nCC\nC IF (DD.GE.ZERO) THEN\nC SQDD = SQRT(DD)\nC DELT = 0.5*(-BB - SQDD)\nC ELSE\nC DELT = ZERO\nC ENDIF\nC\nC ENDIF\nCC\nCC *** CALCULATE H+ *****************************************************\nCC\nC MOLAL(1) = KAPA - DELT ! H+\nCC\nC521 RETURN\nCC\nCC *** END OF SUBROUTINE CALCHCO3 ***************************************\nCC\nC END\nCC\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCAMAQ\nC *** THIS SUBROUTINE CALCULATES THE NH3(aq) GENERATED FROM (H,NH4+).\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCAMAQ (NH4I, OHI, DELT)\n INCLUDE 'isrpia.inc'\n DOUBLE PRECISION NH4I\nCC CHARACTER ERRINF*40\nC\nC *** EQUILIBRIUM CONSTANTS\nC\n A22 = XK22/XKW/WATER*(GAMA(8)/GAMA(9))**2. ! GAMA(NH3) ASSUMED 1\n AKW = XKW *RH*WATER*WATER\nC\nC *** FIND ROOT\nC\n OM1 = NH4I \n OM2 = OHI\n BB =-(OM1+OM2+A22*AKW)\n CC = OM1*OM2\n DD = SQRT(BB*BB-4.D0*CC)\n\n DEL1 = 0.5D0*(-BB - DD)\n DEL2 = 0.5D0*(-BB + DD)\nC\nC *** GET APPROPRIATE ROOT.\nC\n IF (DEL1.LT.ZERO) THEN \n IF (DEL2.GT.NH4I .OR. DEL2.GT.OHI) THEN\n DELT = ZERO\n ELSE\n DELT = DEL2\n ENDIF\n ELSE\n DELT = DEL1\n ENDIF\nCC\nCC *** COMPARE DELTA TO TOTAL NH4+ ; ESTIMATE EFFECT *********************\nCC\nCC IF (DELTA/HYD.GT.0.1d0) THEN\nCC WRITE (ERRINF,'(1PE10.3)') DELTA/HYD*100.0\nCC CALL PUSHERR (0020, ERRINF)\nCC ENDIF\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCAMAQ ****************************************\nC\n END\n\n\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCAMAQ2\nC\nC THIS SUBROUTINE CALCULATES THE NH3(aq) GENERATED FROM (H,NH4+).\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCAMAQ2 (GGNH3, NH4I, OHI, NH3AQ)\n INCLUDE 'isrpia.inc'\n DOUBLE PRECISION NH4I, NH3AQ\nC\nC *** EQUILIBRIUM CONSTANTS\nC\n A22 = XK22/XKW/WATER*(GAMA(8)/GAMA(9))**2. ! GAMA(NH3) ASSUMED 1\n AKW = XKW *RH*WATER*WATER\nC\nC *** FIND ROOT\nC\n ALF1 = NH4I - GGNH3\n ALF2 = GGNH3\n BB = ALF1 + A22*AKW\n CC =-A22*AKW*ALF2\n DEL = 0.5D0*(-BB + SQRT(BB*BB-4.D0*CC))\nC\nC *** ADJUST CONCENTRATIONS\nC\n NH4I = ALF1 + DEL\n OHI = DEL\n IF (OHI.LE.TINY) OHI = SQRT(AKW) ! If solution is neutral.\n NH3AQ = ALF2 - DEL \nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCAMAQ2 ****************************************\nC\n END\n\n\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCCLAQ\nC\nC THIS SUBROUTINE CALCULATES THE HCL(aq) GENERATED FROM (H+,CL-).\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCCLAQ (CLI, HI, DELT)\n INCLUDE 'isrpia.inc'\n DOUBLE PRECISION CLI\nC\nC *** EQUILIBRIUM CONSTANTS\nC\n A32 = XK32*WATER/(GAMA(11))**2. ! GAMA(HCL) ASSUMED 1\nC\nC *** FIND ROOT\nC\n OM1 = CLI \n OM2 = HI\n BB =-(OM1+OM2+A32)\n CC = OM1*OM2\n DD = SQRT(BB*BB-4.D0*CC)\n\n DEL1 = 0.5D0*(-BB - DD)\n DEL2 = 0.5D0*(-BB + DD)\nC\nC *** GET APPROPRIATE ROOT.\nC\n IF (DEL1.LT.ZERO) THEN \n IF (DEL2.LT.ZERO .OR. DEL2.GT.CLI .OR. DEL2.GT.HI) THEN\n DELT = ZERO\n ELSE\n DELT = DEL2\n ENDIF\n ELSE\n DELT = DEL1\n ENDIF\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCCLAQ ****************************************\nC\n END\n\n\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCCLAQ2\nC\nC THIS SUBROUTINE CALCULATES THE HCL(aq) GENERATED FROM (H+,CL-).\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCCLAQ2 (GGCL, CLI, HI, CLAQ)\n INCLUDE 'isrpia.inc'\n DOUBLE PRECISION CLI\nC\nC *** EQUILIBRIUM CONSTANTS\nC\n A32 = XK32*WATER/(GAMA(11))**2. ! GAMA(HCL) ASSUMED 1\n AKW = XKW *RH*WATER*WATER\nC\nC *** FIND ROOT\nC\n ALF1 = CLI - GGCL\n ALF2 = GGCL\n COEF = (ALF1+A32)\n DEL1 = 0.5*(-COEF + SQRT(COEF*COEF+4.D0*A32*ALF2))\nC\nC *** CORRECT CONCENTRATIONS\nC\n CLI = ALF1 + DEL1\n HI = DEL1\n IF (HI.LE.TINY) HI = SQRT(AKW) ! If solution is neutral.\n CLAQ = ALF2 - DEL1\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCCLAQ2 ****************************************\nC\n END\n\n\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCNIAQ\nC\nC THIS SUBROUTINE CALCULATES THE HNO3(aq) GENERATED FROM (H,NO3-).\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCNIAQ (NO3I, HI, DELT)\n INCLUDE 'isrpia.inc'\n DOUBLE PRECISION NO3I, HI, DELT\nC\nC *** EQUILIBRIUM CONSTANTS\nC\n A42 = XK42*WATER/(GAMA(10))**2. ! GAMA(HNO3) ASSUMED 1\nC\nC *** FIND ROOT\nC\n OM1 = NO3I \n OM2 = HI\n BB =-(OM1+OM2+A42)\n CC = OM1*OM2\n DD = SQRT(BB*BB-4.D0*CC)\n\n DEL1 = 0.5D0*(-BB - DD)\n DEL2 = 0.5D0*(-BB + DD)\nC\nC *** GET APPROPRIATE ROOT.\nC\n IF (DEL1.LT.ZERO .OR. DEL1.GT.HI .OR. DEL1.GT.NO3I) THEN\n print *, DELT\n DELT = ZERO\n ELSE\n DELT = DEL1\n RETURN\n ENDIF\nC\n IF (DEL2.LT.ZERO .OR. DEL2.GT.NO3I .OR. DEL2.GT.HI) THEN\n DELT = ZERO\n ELSE\n DELT = DEL2\n ENDIF\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCNIAQ ****************************************\nC\n END\n\n\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCNIAQ2\nC\nC THIS SUBROUTINE CALCULATES THE UNDISSOCIATED HNO3(aq)\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCNIAQ2 (GGNO3, NO3I, HI, NO3AQ)\n INCLUDE 'isrpia.inc'\n DOUBLE PRECISION NO3I, NO3AQ\nC\nC *** EQUILIBRIUM CONSTANTS\nC\n A42 = XK42*WATER/(GAMA(10))**2. ! GAMA(HNO3) ASSUMED 1\n AKW = XKW *RH*WATER*WATER\nC\nC *** FIND ROOT\nC\n ALF1 = NO3I - GGNO3\n ALF2 = GGNO3\n ALF3 = HI\nC\n BB = ALF3 + ALF1 + A42\n CC = ALF3*ALF1 - A42*ALF2\n DEL1 = 0.5*(-BB + SQRT(BB*BB-4.D0*CC))\nC\nC *** CORRECT CONCENTRATIONS\nC\n NO3I = ALF1 + DEL1\n HI = ALF3 + DEL1\n IF (HI.LE.TINY) HI = SQRT(AKW) ! If solution is neutral.\n NO3AQ = ALF2 - DEL1\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCNIAQ2 ****************************************\nC\n END\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCMR\nC *** THIS SUBROUTINE CALCULATES:\nC 1. ION PAIR CONCENTRATIONS (FROM [MOLAR] ARRAY)\nC 2. WATER CONTENT OF LIQUID AEROSOL PHASE (FROM ZSR CORRELATION)\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCMR\n INCLUDE 'isrpia.inc'\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\n CHARACTER SC*1\nC\nC *** CALCULATE ION PAIR CONCENTRATIONS ACCORDING TO SPECIFIC CASE ****\nC\n SC =SCASE(1:1) ! SULRAT & SODRAT case\nC\nC *** NH4-SO4 SYSTEM ; SULFATE POOR CASE\nC\n IF (SC.EQ.'A') THEN\n MOLALR(4) = MOLAL(5)+MOLAL(6) ! (NH4)2SO4 - CORRECT FOR SO4 TO HSO4\nC\nC *** NH4-SO4 SYSTEM ; SULFATE RICH CASE ; NO FREE ACID\nC\n ELSE IF (SC.EQ.'B') THEN\n SO4I = MOLAL(5)-MOLAL(1) ! CORRECT FOR HSO4 DISSOCIATION\n HSO4I = MOLAL(6)+MOLAL(1)\n IF (SO4I.LT.HSO4I) THEN\n MOLALR(13) = SO4I ! [LC] = [SO4]\n MOLALR(9) = MAX(HSO4I-SO4I, ZERO) ! NH4HSO4\n ELSE\n MOLALR(13) = HSO4I ! [LC] = [HSO4]\n MOLALR(4) = MAX(SO4I-HSO4I, ZERO) ! (NH4)2SO4\n ENDIF\nC\nC *** NH4-SO4 SYSTEM ; SULFATE RICH CASE ; FREE ACID\nC\n ELSE IF (SC.EQ.'C') THEN\n MOLALR(9) = MOLAL(3) ! NH4HSO4\n MOLALR(7) = MAX(W(2)-W(3), ZERO) ! H2SO4\nC\nC *** NH4-SO4-NO3 SYSTEM ; SULFATE POOR CASE\nC\n ELSE IF (SC.EQ.'D') THEN\n MOLALR(4) = MOLAL(5) + MOLAL(6) ! (NH4)2SO4\n AML5 = MOLAL(3)-2.D0*MOLALR(4) ! \"free\" NH4\n MOLALR(5) = MAX(MIN(AML5,MOLAL(7)), ZERO)! NH4NO3 = MIN(\"free\", NO3)\nC\nC *** NH4-SO4-NO3 SYSTEM ; SULFATE RICH CASE ; NO FREE ACID\nC\n ELSE IF (SC.EQ.'E') THEN\n SO4I = MAX(MOLAL(5)-MOLAL(1),ZERO) ! FROM HSO4 DISSOCIATION\n HSO4I = MOLAL(6)+MOLAL(1)\n IF (SO4I.LT.HSO4I) THEN\n MOLALR(13) = SO4I ! [LC] = [SO4]\n MOLALR(9) = MAX(HSO4I-SO4I, ZERO) ! NH4HSO4\n ELSE\n MOLALR(13) = HSO4I ! [LC] = [HSO4]\n MOLALR(4) = MAX(SO4I-HSO4I, ZERO) ! (NH4)2SO4\n ENDIF\nC\nC *** NH4-SO4-NO3 SYSTEM ; SULFATE RICH CASE ; FREE ACID\nC\n ELSE IF (SC.EQ.'F') THEN\n MOLALR(9) = MOLAL(3) ! NH4HSO4\n MOLALR(7) = MAX(MOLAL(5)+MOLAL(6)-MOLAL(3),ZERO) ! H2SO4\nC\nC *** NA-NH4-SO4-NO3-CL SYSTEM ; SULFATE POOR ; SODIUM POOR CASE\nC\n ELSE IF (SC.EQ.'G') THEN\n MOLALR(2) = 0.5D0*MOLAL(2) ! NA2SO4\n TOTS4 = MOLAL(5)+MOLAL(6) ! Total SO4\n MOLALR(4) = MAX(TOTS4 - MOLALR(2), ZERO) ! (NH4)2SO4\n FRNH4 = MAX(MOLAL(3) - 2.D0*MOLALR(4), ZERO)\n MOLALR(5) = MIN(MOLAL(7),FRNH4) ! NH4NO3\n FRNH4 = MAX(FRNH4 - MOLALR(5), ZERO)\n MOLALR(6) = MIN(MOLAL(4), FRNH4) ! NH4CL\nC\nC *** NA-NH4-SO4-NO3-CL SYSTEM ; SULFATE POOR ; SODIUM RICH CASE\nC *** RETREIVE DISSOLVED SALTS DIRECTLY FROM COMMON BLOCK /SOLUT/\nC\n ELSE IF (SC.EQ.'H') THEN\n MOLALR(1) = PSI7 ! NACL\n MOLALR(2) = PSI1 ! NA2SO4\n MOLALR(3) = PSI8 ! NANO3\n MOLALR(4) = ZERO ! (NH4)2SO4\n FRNO3 = MAX(MOLAL(7) - MOLALR(3), ZERO) ! \"FREE\" NO3\n FRCL = MAX(MOLAL(4) - MOLALR(1), ZERO) ! \"FREE\" CL\n MOLALR(5) = MIN(MOLAL(3),FRNO3) ! NH4NO3\n FRNH4 = MAX(MOLAL(3) - MOLALR(5), ZERO) ! \"FREE\" NH3\n MOLALR(6) = MIN(FRCL, FRNH4) ! NH4CL\nC\nC *** NA-NH4-SO4-NO3-CL SYSTEM ; SULFATE RICH CASE ; NO FREE ACID\nC *** RETREIVE DISSOLVED SALTS DIRECTLY FROM COMMON BLOCK /SOLUT/\nC\n ELSE IF (SC.EQ.'I') THEN\n MOLALR(04) = PSI5 ! (NH4)2SO4\n MOLALR(02) = PSI4 ! NA2SO4\n MOLALR(09) = PSI1 ! NH4HSO4\n MOLALR(12) = PSI3 ! NAHSO4\n MOLALR(13) = PSI2 ! LC\nC\nC *** NA-NH4-SO4-NO3-CL SYSTEM ; SULFATE RICH CASE ; FREE ACID\nC\n ELSE IF (SC.EQ.'J') THEN\n MOLALR(09) = MOLAL(3) ! NH4HSO4\n MOLALR(12) = MOLAL(2) ! NAHSO4\n MOLALR(07) = MOLAL(5)+MOLAL(6)-MOLAL(3)-MOLAL(2) ! H2SO4\n MOLALR(07) = MAX(MOLALR(07),ZERO)\nC\nC *** NA-NH4-SO4-NO3-CL-CA-K-MG SYSTEM ; SULFATE POOR ; CR+NA POOR CASE\nC\n ELSE IF (SC.EQ.'O') THEN\n MOLALR(2) = 0.5D0*MOLAL(2) ! NA2SO4\n TOTS4 = MOLAL(5)+MOLAL(6) ! Total SO4\n MOLALR(17)= 0.5*MOLAL(9) ! K2SO4\n MOLALR(21)= MOLAL(10) ! MGSO4\n MOLALR(4) = MAX(TOTS4 - MOLALR(2) - MOLALR(17)\n & - MOLALR(21), ZERO) ! (NH4)2SO4\n FRNH4 = MAX(MOLAL(3) - 2.D0*MOLALR(4), ZERO)\n MOLALR(5) = MIN(MOLAL(7),FRNH4) ! NH4NO3\n FRNH4 = MAX(FRNH4 - MOLALR(5), ZERO)\n MOLALR(6) = MIN(MOLAL(4), FRNH4) ! NH4CL\nC\nC *** NA-NH4-SO4-NO3-CL-CA-K-MG SYSTEM ; SULFATE POOR ; CR+NA RICH; CR POOR CASE\nC *** RETREIVE DISSOLVED SALTS DIRECTLY FROM COMMON BLOCK /SOLUT/\nC\n ELSE IF (SC.EQ.'M') THEN\n MOLALR(1) = PSI7 ! NACL\n MOLALR(2) = PSI1 ! NA2SO4\n MOLALR(3) = PSI8 ! NANO3\n MOLALR(4) = ZERO ! (NH4)2SO4\n FRNO3 = MAX(MOLAL(7) - MOLALR(3), ZERO) ! \"FREE\" NO3\n FRCL = MAX(MOLAL(4) - MOLALR(1), ZERO) ! \"FREE\" CL\n MOLALR(5) = MIN(MOLAL(3),FRNO3) ! NH4NO3\n FRNH4 = MAX(MOLAL(3) - MOLALR(5), ZERO) ! \"FREE\" NH3\n MOLALR(6) = MIN(FRCL, FRNH4) ! NH4CL\n MOLALR(17)= PSI9 ! K2SO4\n MOLALR(21)= PSI10 ! MGSO4\nC\nC *** NA-NH4-SO4-NO3-CL-CA-K-MG SYSTEM ; SULFATE POOR ; CR+NA RICH; CR RICH CASE\nC *** RETREIVE DISSOLVED SALTS DIRECTLY FROM COMMON BLOCK /SOLUT/\nC\n ELSE IF (SC.EQ.'P') THEN\n MOLALR(1) = PSI7 ! NACL\n MOLALR(3) = PSI8 ! NANO3\n MOLALR(15)= PSI12 ! CANO32\n MOLALR(16)= PSI17 ! CACL2\n MOLALR(19)= PSI13 ! KNO3\n MOLALR(20)= PSI14 ! KCL\n MOLALR(22)= PSI15 ! MGNO32\n MOLALR(23)= PSI16 ! MGCL2\n FRNO3 = MAX(MOLAL(7)-MOLALR(3)-2.D0*MOLALR(15)\n & -MOLALR(19)-2.D0*MOLALR(22), ZERO) ! \"FREE\" NO3\n FRCL = MAX(MOLAL(4)-MOLALR(1)-2.D0*MOLALR(16)\n & -MOLALR(20)-2.D0*MOLALR(23), ZERO) ! \"FREE\" CL\n MOLALR(5) = MIN(MOLAL(3),FRNO3) ! NH4NO3\n FRNH4 = MAX(MOLAL(3) - MOLALR(5), ZERO) ! \"FREE\" NH3\n MOLALR(6) = MIN(FRCL, FRNH4) ! NH4CL\n MOLALR(17)= PSI9 ! K2SO4\n MOLALR(21)= PSI10 ! MGSO4\nC\nC *** NA-NH4-SO4-NO3-CL-CA-K-MG SYSTEM ; SULFATE RICH CASE ; NO FREE ACID\nC\n ELSE IF (SC.EQ.'L') THEN\n MOLALR(04) = PSI5 ! (NH4)2SO4\n MOLALR(02) = PSI4 ! NA2SO4\n MOLALR(09) = PSI1 ! NH4HSO4\n MOLALR(12) = PSI3 ! NAHSO4\n MOLALR(13) = PSI2 ! LC\n MOLALR(17) = PSI6 ! K2SO4\n MOLALR(21) = PSI7 ! MGSO4\n MOLALR(18) = PSI8 ! KHSO4\nC\nC *** NA-NH4-SO4-NO3-CL-CA-K-MG SYSTEM ; SULFATE SUPER RICH CASE ; FREE ACID\nC\n ELSE IF (SC.EQ.'K') THEN\n MOLALR(09) = MOLAL(3) ! NH4HSO4\n MOLALR(12) = MOLAL(2) ! NAHSO4\n MOLALR(14) = MOLAL(8) ! CASO4\n MOLALR(18) = MOLAL(9) ! KHSO4\n MOLALR(21) = MOLAL(10) ! MGSO4\n MOLALR(07) = MOLAL(5)+MOLAL(6)-MOLAL(3)\n & -MOLAL(2)-MOLAL(8)-MOLAL(9)-MOLAL(10) ! H2SO4\n MOLALR(07) = MAX(MOLALR(07),ZERO)\nC\nC ======= REVERSE PROBLEMS ===========================================\nC\nC *** NH4-SO4-NO3 SYSTEM ; SULFATE POOR CASE\nC\n ELSE IF (SC.EQ.'N') THEN\n MOLALR(4) = MOLAL(5) + MOLAL(6) ! (NH4)2SO4\n AML5 = WAER(3)-2.D0*MOLALR(4) ! \"free\" NH4\n MOLALR(5) = MAX(MIN(AML5,WAER(4)), ZERO) ! NH4NO3 = MIN(\"free\", NO3)\nC\nC *** NH4-SO4-NO3-NA-CL SYSTEM ; SULFATE POOR, SODIUM POOR CASE\nC\n ELSE IF (SC.EQ.'Q') THEN\n MOLALR(2) = PSI1 ! NA2SO4\n MOLALR(4) = PSI6 ! (NH4)2SO4\n MOLALR(5) = PSI5 ! NH4NO3\n MOLALR(6) = PSI4 ! NH4CL\nC\nC *** NH4-SO4-NO3-NA-CL SYSTEM ; SULFATE POOR, SODIUM RICH CASE\nC\n ELSE IF (SC.EQ.'R') THEN\n MOLALR(1) = PSI3 ! NACL\n MOLALR(2) = PSI1 ! NA2SO4\n MOLALR(3) = PSI2 ! NANO3\n MOLALR(4) = ZERO ! (NH4)2SO4\n MOLALR(5) = PSI5 ! NH4NO3\n MOLALR(6) = PSI4 ! NH4CL\nC\nC *** NH4-SO4-NO3-NA-CL-CA-K-MG SYSTEM ; SULFATE POOR, CRUSTAL&SODIUM POOR CASE\nC\n ELSE IF (SC.EQ.'V') THEN\n MOLALR(2) = PSI1 ! NA2SO4\n MOLALR(4) = PSI6 ! (NH4)2SO4\n MOLALR(5) = PSI5 ! NH4NO3\n MOLALR(6) = PSI4 ! NH4CL\n MOLALR(17)= PSI7 ! K2SO4\n MOLALR(21)= PSI8 ! MGSO4\nC\nC *** NH4-SO4-NO3-NA-CL-CA-K-MG SYSTEM ; SULFATE POOR, CRUSTAL&SODIUM RICH, CRUSTAL POOR CASE\nC\n ELSE IF (SC.EQ.'U') THEN\n MOLALR(1) = PSI3 ! NACL\n MOLALR(2) = PSI1 ! NA2SO4\n MOLALR(3) = PSI2 ! NANO3\n MOLALR(5) = PSI5 ! NH4NO3\n MOLALR(6) = PSI4 ! NH4CL\n MOLALR(17)= PSI7 ! K2SO4\n MOLALR(21)= PSI8 ! MGSO4\nC\nC *** NH4-SO4-NO3-NA-CL-CA-K-MG SYSTEM ; SULFATE POOR, CRUSTAL&SODIUM RICH, CRUSTAL RICH CASE\nC\n ELSE IF (SC.EQ.'W') THEN\n MOLALR(1) = PSI7 ! NACL\n MOLALR(3) = PSI8 ! NANO3\n MOLALR(5) = PSI6 ! NH4NO3\n MOLALR(6) = PSI5 ! NH4CL\n MOLALR(15)= PSI12 ! CANO32\n MOLALR(16)= PSI17 ! CACL2\n MOLALR(17)= PSI9 ! K2SO4\n MOLALR(19)= PSI13 ! KNO3\n MOLALR(20)= PSI14 ! KCL\n MOLALR(21)= PSI10 ! MGSO4\n MOLALR(22)= PSI15 ! MGNO32\n MOLALR(23)= PSI16 ! MGCL2\nC\nC *** UNKNOWN CASE\nC\nC ELSE\nC CALL PUSHERR (1001, ' ') ! FATAL ERROR: CASE NOT SUPPORTED\n ENDIF\nC\nC *** CALCULATE WATER CONTENT ; ZSR CORRELATION ***********************\nC\n WATER = ZERO\n DO 10 I=1,NPAIR\n WATER = WATER + MOLALR(I)/M0(I)\n10 CONTINUE\n WATER = MAX(WATER, TINY)\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCMR ******************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCMDRH\nC\nC THIS IS THE CASE WHERE THE RELATIVE HUMIDITY IS IN THE MUTUAL\nC DRH REGION. THE SOLUTION IS ASSUMED TO BE THE SUM OF TWO WEIGHTED\nC SOLUTIONS ; THE 'DRY' SOLUTION (SUBROUTINE DRYCASE) AND THE\nC 'SATURATED LIQUID' SOLUTION (SUBROUTINE LIQCASE).\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCMDRH (RHI, RHDRY, RHLIQ, DRYCASE, LIQCASE)\n INCLUDE 'isrpia.inc'\n EXTERNAL DRYCASE, LIQCASE\nC\nC *** FIND WEIGHT FACTOR **********************************************\nC\n IF (WFTYP.EQ.0) THEN\n WF = ONE\n ELSEIF (WFTYP.EQ.1) THEN\n WF = 0.5D0\n ELSE\n WF = (RHLIQ-RHI)/(RHLIQ-RHDRY)\n ENDIF\n ONEMWF = ONE - WF\nC\nC *** FIND FIRST SECTION ; DRY ONE ************************************\nC\n CALL DRYCASE\n IF (ABS(ONEMWF).LE.1D-5) GOTO 200 ! DRY AEROSOL\nC\n CNH42SO = CNH42S4 ! FIRST (DRY) SOLUTION\n CNH4HSO = CNH4HS4\n CLCO = CLC \n CNH4N3O = CNH4NO3\n CNH4CLO = CNH4CL\n CNA2SO = CNA2SO4\n CNAHSO = CNAHSO4\n CNANO = CNANO3\n CNACLO = CNACL\n GNH3O = GNH3\n GHNO3O = GHNO3\n GHCLO = GHCL\nC\nC *** FIND SECOND SECTION ; DRY & LIQUID ******************************\nC\n CNH42S4 = ZERO\n CNH4HS4 = ZERO\n CLC = ZERO\n CNH4NO3 = ZERO\n CNH4CL = ZERO\n CNA2SO4 = ZERO\n CNAHSO4 = ZERO\n CNANO3 = ZERO\n CNACL = ZERO\n GNH3 = ZERO\n GHNO3 = ZERO\n GHCL = ZERO\n CALL LIQCASE ! SECOND (LIQUID) SOLUTION\nC\nC *** ADJUST THINGS FOR THE CASE THAT THE LIQUID SUB PREDICTS DRY AEROSOL\nC\n IF (WATER.LE.TINY) THEN\n DO 100 I=1,NIONS\n MOLAL(I)= ZERO ! Aqueous phase\n 100 CONTINUE\n WATER = ZERO\nC\n CNH42S4 = CNH42SO ! Solid phase\n CNA2SO4 = CNA2SO\n CNAHSO4 = CNAHSO\n CNH4HS4 = CNH4HSO\n CLC = CLCO\n CNH4NO3 = CNH4N3O\n CNANO3 = CNANO\n CNACL = CNACLO \n CNH4CL = CNH4CLO \nC\n GNH3 = GNH3O ! Gas phase\n GHNO3 = GHNO3O\n GHCL = GHCLO\nC\n GOTO 200\n ENDIF\nC\nC *** FIND SALT DISSOLUTIONS BETWEEN DRY & LIQUID SOLUTIONS.\nC\n DAMSUL = CNH42SO - CNH42S4\n DSOSUL = CNA2SO - CNA2SO4\n DAMBIS = CNH4HSO - CNH4HS4\n DSOBIS = CNAHSO - CNAHSO4\n DLC = CLCO - CLC\n DAMNIT = CNH4N3O - CNH4NO3\n DAMCHL = CNH4CLO - CNH4CL\n DSONIT = CNANO - CNANO3\n DSOCHL = CNACLO - CNACL\nC\nC *** FIND GAS DISSOLUTIONS BETWEEN DRY & LIQUID SOLUTIONS.\nC\n DAMG = GNH3O - GNH3 \n DHAG = GHCLO - GHCL\n DNAG = GHNO3O - GHNO3\nC\nC *** FIND SOLUTION AT MDRH BY WEIGHTING DRY & LIQUID SOLUTIONS.\nC\nC LIQUID\nC\n MOLAL(1)= ONEMWF*MOLAL(1) ! H+\n MOLAL(2)= ONEMWF*(2.D0*DSOSUL + DSOBIS + DSONIT + DSOCHL) ! NA+\n MOLAL(3)= ONEMWF*(2.D0*DAMSUL + DAMG + DAMBIS + DAMCHL +\n & 3.D0*DLC + DAMNIT ) ! NH4+\n MOLAL(4)= ONEMWF*( DAMCHL + DSOCHL + DHAG) ! CL-\n MOLAL(5)= ONEMWF*( DAMSUL + DSOSUL + DLC - MOLAL(6)) ! SO4-- !VB 17 Sept 2001\n MOLAL(6)= ONEMWF*( MOLAL(6) + DSOBIS + DAMBIS + DLC) ! HSO4-\n MOLAL(7)= ONEMWF*( DAMNIT + DSONIT + DNAG) ! NO3-\n WATER = ONEMWF*WATER\nC\nC SOLID\nC\n CNH42S4 = WF*CNH42SO + ONEMWF*CNH42S4\n CNA2SO4 = WF*CNA2SO + ONEMWF*CNA2SO4\n CNAHSO4 = WF*CNAHSO + ONEMWF*CNAHSO4\n CNH4HS4 = WF*CNH4HSO + ONEMWF*CNH4HS4\n CLC = WF*CLCO + ONEMWF*CLC\n CNH4NO3 = WF*CNH4N3O + ONEMWF*CNH4NO3\n CNANO3 = WF*CNANO + ONEMWF*CNANO3\n CNACL = WF*CNACLO + ONEMWF*CNACL\n CNH4CL = WF*CNH4CLO + ONEMWF*CNH4CL\nC\nC GAS\nC\n GNH3 = WF*GNH3O + ONEMWF*GNH3\n GHNO3 = WF*GHNO3O + ONEMWF*GHNO3\n GHCL = WF*GHCLO + ONEMWF*GHCL\nC\nC *** RETURN POINT\nC\n200 RETURN\nC\nC *** END OF SUBROUTINE CALCMDRH ****************************************\nC\n END\n\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCMDRH2\nC\nC THIS IS THE CASE WHERE THE RELATIVE HUMIDITY IS IN THE MUTUAL\nC DRH REGION. THE SOLUTION IS ASSUMED TO BE THE SUM OF TWO WEIGHTED\nC SOLUTIONS ; THE 'DRY' SOLUTION (SUBROUTINE DRYCASE) AND THE\nC 'SATURATED LIQUID' SOLUTION (SUBROUTINE LIQCASE).\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCMDRH2 (RHI, RHDRY, RHLIQ, DRYCASE, LIQCASE)\n INCLUDE 'isrpia.inc'\n EXTERNAL DRYCASE, LIQCASE\nC\nC *** FIND WEIGHT FACTOR **********************************************\nC\n IF (WFTYP.EQ.0) THEN\n WF = ONE\n ELSEIF (WFTYP.EQ.1) THEN\n WF = 0.5D0\n ELSE\n WF = (RHLIQ-RHI)/(RHLIQ-RHDRY)\n ENDIF\n ONEMWF = ONE - WF\nC\nC *** FIND FIRST SECTION ; DRY ONE ************************************\nC\n CALL DRYCASE\n IF (ABS(ONEMWF).LE.1D-5) GOTO 200 ! DRY AEROSOL\nC\n CNH42SO = CNH42S4 ! FIRST (DRY) SOLUTION\n CNH4HSO = CNH4HS4\n CLCO = CLC\n CNH4N3O = CNH4NO3\n CNH4CLO = CNH4CL\n CNA2SO = CNA2SO4\n CNAHSO = CNAHSO4\n CNANO = CNANO3\n CNACLO = CNACL\n GNH3O = GNH3\n GHNO3O = GHNO3\n GHCLO = GHCL\nC\n CCASO = CCASO4\n CK2SO = CK2SO4\n CMGSO = CMGSO4\n CKHSO = CKHSO4\n CCAN32O = CCANO32\n CCAC2L = CCACL2\n CKN3O = CKNO3\n CKCLO = CKCL\n CMGN32O = CMGNO32\n CMGC2L = CMGCL2\nC\nC *** FIND SECOND SECTION ; DRY & LIQUID ******************************\nC\n CNH42S4 = ZERO\n CNH4HS4 = ZERO\n CLC = ZERO\n CNH4NO3 = ZERO\n CNH4CL = ZERO\n CNA2SO4 = ZERO\n CNAHSO4 = ZERO\n CNANO3 = ZERO\n CNACL = ZERO\n GNH3 = ZERO\n GHNO3 = ZERO\n GHCL = ZERO\nC\n CCASO4 = ZERO\n CK2SO4 = ZERO\n CMGSO4 = ZERO\n CKHSO4 = ZERO\n CCANO32 = ZERO\n CCACL2 = ZERO\n CKNO3 = ZERO\n CKCL = ZERO\n CMGNO32 = ZERO\n CMGCL2 = ZERO\nC\n CALL LIQCASE ! SECOND (LIQUID) SOLUTION\nC\nC *** ADJUST THINGS FOR THE CASE THAT THE LIQUID SUB PREDICTS DRY AEROSOL\nC\n IF (WATER.LE.TINY) THEN\n DO 100 I=1,NIONS\n MOLAL(I)= ZERO ! Aqueous phase\n 100 CONTINUE\n WATER = ZERO\nC\n CNH42S4 = CNH42SO ! Solid phase\n CNA2SO4 = CNA2SO\n CNAHSO4 = CNAHSO\n CNH4HS4 = CNH4HSO\n CLC = CLCO\n CNH4NO3 = CNH4N3O\n CNANO3 = CNANO\n CNACL = CNACLO\n CNH4CL = CNH4CLO\nC\n GNH3 = GNH3O ! Gas phase\n GHNO3 = GHNO3O\n GHCL = GHCLO\nC\n CCASO4 = CCASO\n CK2SO4 = CK2SO\n CMGSO4 = CMGSO\n CKHSO4 = CKHSO\n CCANO32 = CCAN32O\n CCACL2 = CCAC2L\n CKNO3 = CKN3O\n CKCL = CKCLO\n CMGNO32 = CMGN32O\n CMGCL2 = CMGC2L\nC\n GOTO 200\n ENDIF\nC\nC *** FIND SALT DISSOLUTIONS BETWEEN DRY & LIQUID SOLUTIONS.\nC\n DAMSUL = CNH42SO - CNH42S4\n DSOSUL = CNA2SO - CNA2SO4\n DAMBIS = CNH4HSO - CNH4HS4\n DSOBIS = CNAHSO - CNAHSO4\n DLC = CLCO - CLC\n DAMNIT = CNH4N3O - CNH4NO3\n DAMCHL = CNH4CLO - CNH4CL\n DSONIT = CNANO - CNANO3\n DSOCHL = CNACLO - CNACL\nC\n DCASUL = CCASO - CCASO4\n DPOSUL = CK2SO - CK2SO4\n DMGSUL = CMGSO - CMGSO4\n DPOBIS = CKHSO - CKHSO4\n DCANIT = CCAN32O - CCANO32\n DCACHL = CCAC2L - CCACL2\n DPONIT = CKN3O - CKNO3\n DPOCHL = CKCLO - CKCL\n DMGNIT = CMGN32O - CMGNO32\n DMGCHL = CMGC2L - CMGCL2\nC\nC *** FIND GAS DISSOLUTIONS BETWEEN DRY & LIQUID SOLUTIONS.\nC\n DAMG = GNH3O - GNH3\n DHAG = GHCLO - GHCL\n DNAG = GHNO3O - GHNO3\nC\nC *** FIND SOLUTION AT MDRH BY WEIGHTING DRY & LIQUID SOLUTIONS.\nC\nC LIQUID\nC\n MOLAL(1) = ONEMWF*MOLAL(1) ! H+\n MOLAL(2) = ONEMWF*(2.D0*DSOSUL + DSOBIS + DSONIT + DSOCHL) ! NA+\n MOLAL(3) = ONEMWF*(2.D0*DAMSUL + DAMG + DAMBIS + DAMCHL +\n & 3.D0*DLC + DAMNIT ) ! NH4+\n MOLAL(4) = ONEMWF*(DAMCHL + DSOCHL + DHAG + 2.D0*DCACHL +\n & 2.D0*DMGCHL + DPOCHL) ! CL-\n MOLAL(5) = ONEMWF*(DAMSUL + DSOSUL + DLC - MOLAL(6)\n & +DCASUL + DPOSUL + DMGSUL) ! SO4-- !VB 17 Sept 2001\n MOLAL(6) = ONEMWF*(MOLAL(6) + DSOBIS + DAMBIS + DLC + DPOBIS) ! HSO4-\n MOLAL(7) = ONEMWF*(DAMNIT + DSONIT + DNAG + 2.D0*DCANIT\n & + 2.D0*DMGNIT + DPONIT) ! NO3-\n MOLAL(8) = ONEMWF*(DCASUL + DCANIT + DCACHL) ! CA2+\n MOLAL(9) = ONEMWF*(2.D0*DPOSUL + DPONIT + DPOCHL + DPOBIS) ! K+\n MOLAL(10)= ONEMWF*(DMGSUL + DMGNIT + DMGCHL) ! MG2+\n WATER = ONEMWF*WATER\nC\nC SOLID\nC\n CNH42S4 = WF*CNH42SO + ONEMWF*CNH42S4\n CNA2SO4 = WF*CNA2SO + ONEMWF*CNA2SO4\n CNAHSO4 = WF*CNAHSO + ONEMWF*CNAHSO4\n CNH4HS4 = WF*CNH4HSO + ONEMWF*CNH4HS4\n CLC = WF*CLCO + ONEMWF*CLC\n CNH4NO3 = WF*CNH4N3O + ONEMWF*CNH4NO3\n CNANO3 = WF*CNANO + ONEMWF*CNANO3\n CNACL = WF*CNACLO + ONEMWF*CNACL\n CNH4CL = WF*CNH4CLO + ONEMWF*CNH4CL\nC\n CCASO4 = WF*CCASO + ONEMWF*CCASO4\n CK2SO4 = WF*CK2SO + ONEMWF*CK2SO4\n CMGSO4 = WF*CMGSO + ONEMWF*CMGSO4\n CKHSO4 = WF*CKHSO + ONEMWF*CKHSO4\n CCANO32 = WF*CCAN32O + ONEMWF*CCANO32\n CCACL2 = WF*CCAC2L + ONEMWF*CCACL2\n CMGNO32 = WF*CMGN32O + ONEMWF*CMGNO32\n CMGCL2 = WF*CMGC2L + ONEMWF*CMGCL2\n CKCL = WF*CKCLO + ONEMWF*CKCL\nC\nC GAS\nC\n GNH3 = WF*GNH3O + ONEMWF*GNH3\n GHNO3 = WF*GHNO3O + ONEMWF*GHNO3\n GHCL = WF*GHCLO + ONEMWF*GHCL\nC\nC *** RETURN POINT\nC\n200 RETURN\nC\nC *** END OF SUBROUTINE CALCMDRH2 ****************************************\nC\n END\nC\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCMDRP\nC\nC THIS IS THE CASE WHERE THE RELATIVE HUMIDITY IS IN THE MUTUAL\nC DRH REGION. THE SOLUTION IS ASSUMED TO BE THE SUM OF TWO WEIGHTED\nC SOLUTIONS ; THE 'DRY' SOLUTION (SUBROUTINE DRYCASE) AND THE\nC 'SATURATED LIQUID' SOLUTION (SUBROUTINE LIQCASE). (REVERSE PROBLEM)\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCMDRP (RHI, RHDRY, RHLIQ, DRYCASE, LIQCASE)\n INCLUDE 'isrpia.inc'\n EXTERNAL DRYCASE, LIQCASE\nC\nC *** FIND WEIGHT FACTOR **********************************************\nC\n IF (WFTYP.EQ.0) THEN\n WF = ONE\n ELSEIF (WFTYP.EQ.1) THEN\n WF = 0.5D0\n ELSE\n WF = (RHLIQ-RHI)/(RHLIQ-RHDRY)\n ENDIF\n ONEMWF = ONE - WF\nC\nC *** FIND FIRST SECTION ; DRY ONE ************************************\nC\n CALL DRYCASE\n IF (ABS(ONEMWF).LE.1D-5) GOTO 200 ! DRY AEROSOL\nC\n CNH42SO = CNH42S4 ! FIRST (DRY) SOLUTION\n CNH4HSO = CNH4HS4\n CLCO = CLC \n CNH4N3O = CNH4NO3\n CNH4CLO = CNH4CL\n CNA2SO = CNA2SO4\n CNAHSO = CNAHSO4\n CNANO = CNANO3\n CNACLO = CNACL\nC\nC *** FIND SECOND SECTION ; DRY & LIQUID ******************************\nC\n CNH42S4 = ZERO\n CNH4HS4 = ZERO\n CLC = ZERO\n CNH4NO3 = ZERO\n CNH4CL = ZERO\n CNA2SO4 = ZERO\n CNAHSO4 = ZERO\n CNANO3 = ZERO\n CNACL = ZERO\n GNH3 = ZERO\n GHNO3 = ZERO\n GHCL = ZERO\n CALL LIQCASE ! SECOND (LIQUID) SOLUTION\nC\nC *** ADJUST THINGS FOR THE CASE THAT THE LIQUID SUB PREDICTS DRY AEROSOL\nC\n IF (WATER.LE.TINY) THEN\n WATER = ZERO\n DO 100 I=1,NIONS\n MOLAL(I)= ZERO\n 100 CONTINUE\n CALL DRYCASE\n GOTO 200\n ENDIF\nC\nC *** FIND SALT DISSOLUTIONS BETWEEN DRY & LIQUID SOLUTIONS.\nC\n DAMBIS = CNH4HSO - CNH4HS4\n DSOBIS = CNAHSO - CNAHSO4\n DLC = CLCO - CLC\nC\nC *** FIND SOLUTION AT MDRH BY WEIGHTING DRY & LIQUID SOLUTIONS.\nC\nC *** SOLID\nC\n CNH42S4 = WF*CNH42SO + ONEMWF*CNH42S4\n CNA2SO4 = WF*CNA2SO + ONEMWF*CNA2SO4\n CNAHSO4 = WF*CNAHSO + ONEMWF*CNAHSO4\n CNH4HS4 = WF*CNH4HSO + ONEMWF*CNH4HS4\n CLC = WF*CLCO + ONEMWF*CLC\n CNH4NO3 = WF*CNH4N3O + ONEMWF*CNH4NO3\n CNANO3 = WF*CNANO + ONEMWF*CNANO3\n CNACL = WF*CNACLO + ONEMWF*CNACL\n CNH4CL = WF*CNH4CLO + ONEMWF*CNH4CL\nC\nC *** LIQUID\nC\n WATER = ONEMWF*WATER\nC\n MOLAL(2)= WAER(1) - 2.D0*CNA2SO4 - CNAHSO4 - CNANO3 - \n & CNACL ! NA+\n MOLAL(3)= WAER(3) - 2.D0*CNH42S4 - CNH4HS4 - CNH4CL - \n & 3.D0*CLC - CNH4NO3 ! NH4+\n MOLAL(4)= WAER(5) - CNACL - CNH4CL ! CL-\n MOLAL(7)= WAER(4) - CNANO3 - CNH4NO3 ! NO3-\n MOLAL(6)= ONEMWF*(MOLAL(6) + DSOBIS + DAMBIS + DLC) ! HSO4-\n MOLAL(5)= WAER(2) - MOLAL(6) - CLC - CNH42S4 - CNA2SO4 ! SO4--\nC\n A8 = XK1*WATER/GAMA(7)*(GAMA(8)/GAMA(7))**2.\n IF (MOLAL(5).LE.TINY) THEN\n HIEQ = SQRT(XKW *RH*WATER*WATER) ! Neutral solution\n ELSE\n HIEQ = A8*MOLAL(6)/MOLAL(5) \n ENDIF\n HIEN = MOLAL(4) + MOLAL(7) + MOLAL(6) + 2.D0*MOLAL(5) -\n & MOLAL(2) - MOLAL(3)\n MOLAL(1)= MAX (HIEQ, HIEN) ! H+\nC\nC *** GAS (ACTIVITY COEFS FROM LIQUID SOLUTION)\nC\n A2 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2. ! NH3 <==> NH4+\n A3 = XK4 *R*TEMP*(WATER/GAMA(10))**2. ! HNO3 <==> NO3-\n A4 = XK3 *R*TEMP*(WATER/GAMA(11))**2. ! HCL <==> CL-\nC\n GNH3 = MOLAL(3)/MAX(MOLAL(1),TINY)/A2\n GHNO3 = MOLAL(1)*MOLAL(7)/A3\n GHCL = MOLAL(1)*MOLAL(4)/A4\nC\n200 RETURN\nC\nC *** END OF SUBROUTINE CALCMDRP ****************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCMDRPII\nC\nC THIS IS THE CASE WHERE THE RELATIVE HUMIDITY IS IN THE MUTUAL\nC DRH REGION. THE SOLUTION IS ASSUMED TO BE THE SUM OF TWO WEIGHTED\nC SOLUTIONS ; THE 'DRY' SOLUTION (SUBROUTINE DRYCASE) AND THE\nC 'SATURATED LIQUID' SOLUTION (SUBROUTINE LIQCASE). (REVERSE PROBLEM)\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCMDRPII (RHI, RHDRY, RHLIQ, DRYCASE, LIQCASE)\n INCLUDE 'isrpia.inc'\n EXTERNAL DRYCASE, LIQCASE\nC\nC *** FIND WEIGHT FACTOR **********************************************\nC\n IF (WFTYP.EQ.0) THEN\n WF = ONE\n ELSEIF (WFTYP.EQ.1) THEN\n WF = 0.5D0\n ELSE\n WF = (RHLIQ-RHI)/(RHLIQ-RHDRY)\n ENDIF\n ONEMWF = ONE - WF\nC\nC *** FIND FIRST SECTION ; DRY ONE ************************************\nC\n CALL DRYCASE\n IF (ABS(ONEMWF).LE.1D-5) GOTO 200 ! DRY AEROSOL\nC\n CNH42SO = CNH42S4 ! FIRST (DRY) SOLUTION\n CNH4HSO = CNH4HS4\n CLCO = CLC\n CNH4N3O = CNH4NO3\n CNH4CLO = CNH4CL\n CNA2SO = CNA2SO4\n CNAHSO = CNAHSO4\n CNANO = CNANO3\n CNACLO = CNACL\nC\n CCASO = CCASO4\n CK2SO = CK2SO4\n CMGSO = CMGSO4\n CKHSO = CKHSO4\n CCAN32O = CCANO32\n CCAC2L = CCACL2\n CKN3O = CKNO3\n CKCLO = CKCL\n CMGN32O = CMGNO32\n CMGC2L = CMGCL2\nC\nC *** FIND SECOND SECTION ; DRY & LIQUID ******************************\nC\n CNH42S4 = ZERO\n CNH4HS4 = ZERO\n CLC = ZERO\n CNH4NO3 = ZERO\n CNH4CL = ZERO\n CNA2SO4 = ZERO\n CNAHSO4 = ZERO\n CNANO3 = ZERO\n CNACL = ZERO\n GNH3 = ZERO\n GHNO3 = ZERO\n GHCL = ZERO\nC\n CCASO4 = ZERO\n CK2SO4 = ZERO\n CMGSO4 = ZERO\n CKHSO4 = ZERO\n CCANO32 = ZERO\n CCACL2 = ZERO\n CKNO3 = ZERO\n CKCL = ZERO\n CMGNO32 = ZERO\n CMGCL2 = ZERO\nC\n CALL LIQCASE ! SECOND (LIQUID) SOLUTION\nC\nC *** ADJUST THINGS FOR THE CASE THAT THE LIQUID SUB PREDICTS DRY AEROSOL\nC\n IF (WATER.LE.TINY) THEN\n WATER = ZERO\n DO 100 I=1,NIONS\n MOLAL(I)= ZERO\n 100 CONTINUE\n CALL DRYCASE\n GOTO 200\n ENDIF\nC\nC *** FIND SALT DISSOLUTIONS BETWEEN DRY & LIQUID SOLUTIONS.\nC\n DAMBIS = CNH4HSO - CNH4HS4\n DSOBIS = CNAHSO - CNAHSO4\n DLC = CLCO - CLC\n DPOBIS = CKHSO - CKHSO4\nC\nC *** FIND SOLUTION AT MDRH BY WEIGHTING DRY & LIQUID SOLUTIONS.\nC\nC *** SOLID\nC\n CNH42S4 = WF*CNH42SO + ONEMWF*CNH42S4\n CNA2SO4 = WF*CNA2SO + ONEMWF*CNA2SO4\n CNAHSO4 = WF*CNAHSO + ONEMWF*CNAHSO4\n CNH4HS4 = WF*CNH4HSO + ONEMWF*CNH4HS4\n CLC = WF*CLCO + ONEMWF*CLC\n CNH4NO3 = WF*CNH4N3O + ONEMWF*CNH4NO3\n CNANO3 = WF*CNANO + ONEMWF*CNANO3\n CNACL = WF*CNACLO + ONEMWF*CNACL\n CNH4CL = WF*CNH4CLO + ONEMWF*CNH4CL\nC\n CCASO4 = WF*CCASO + ONEMWF*CCASO4\n CK2SO4 = WF*CK2SO + ONEMWF*CK2SO4\n CMGSO4 = WF*CMGSO + ONEMWF*CMGSO4\n CKHSO4 = WF*CKHSO + ONEMWF*CKHSO4\n CCANO32 = WF*CCAN32O + ONEMWF*CCANO32\n CCACL2 = WF*CCAC2L + ONEMWF*CCACL2\n CMGNO32 = WF*CMGN32O + ONEMWF*CMGNO32\n CMGCL2 = WF*CMGC2L + ONEMWF*CMGCL2\n CKCL = WF*CKCLO + ONEMWF*CKCL\nC\nC *** LIQUID\nC\n WATER = ONEMWF*WATER\nC\n MOLAL(2)= WAER(1) - 2.D0*CNA2SO4 - CNAHSO4 - CNANO3 -\n & CNACL ! NA+\n MOLAL(3)= WAER(3) - 2.D0*CNH42S4 - CNH4HS4 - CNH4CL -\n & 3.D0*CLC - CNH4NO3 ! NH4+\n MOLAL(4)= WAER(5) - CNACL - CNH4CL - 2.D0*CCACL2 -\n & 2.D0*CMGCL2 - CKCL ! CL-\n MOLAL(7)= WAER(4) - CNANO3 - CNH4NO3 - CKNO3\n & - 2.D0*CCANO32 - 2.D0*CMGNO32 ! NO3-\n MOLAL(6)= ONEMWF*(MOLAL(6) + DSOBIS + DAMBIS + DLC + DPOBIS) ! HSO4-\n MOLAL(5)= WAER(2) - MOLAL(6) - CLC - CNH42S4 - CNA2SO4\n & - CCASO4 - CK2SO4 - CMGSO4 ! SO4--\n MOLAL(8)= WAER(6) - CCASO4 - CCANO32 - CCACL2 ! CA++\n MOLAL(9)= WAER(7) - 2.D0*CK2SO4 - CKNO3 - CKCL - CKHSO4 ! K+\n MOLAL(10)=WAER(8) - CMGSO4 - CMGNO32 - CMGCL2 ! MG++\nC\n A8 = XK1*WATER/GAMA(7)*(GAMA(8)/GAMA(7))**2.\n IF (MOLAL(5).LE.TINY) THEN\n HIEQ = SQRT(XKW *RH*WATER*WATER) ! Neutral solution\n ELSE\n HIEQ = A8*MOLAL(6)/MOLAL(5)\n ENDIF\n HIEN = MOLAL(4) + MOLAL(7) + MOLAL(6) + 2.D0*MOLAL(5) -\n & MOLAL(2) - MOLAL(3)\n MOLAL(1)= MAX (HIEQ, HIEN) ! H+\nC\nC *** GAS (ACTIVITY COEFS FROM LIQUID SOLUTION)\nC\n A2 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2. ! NH3 <==> NH4+\n A3 = XK4 *R*TEMP*(WATER/GAMA(10))**2. ! HNO3 <==> NO3-\n A4 = XK3 *R*TEMP*(WATER/GAMA(11))**2. ! HCL <==> CL-\nC\n GNH3 = MOLAL(3)/MAX(MOLAL(1),TINY)/A2\n GHNO3 = MOLAL(1)*MOLAL(7)/A3\n GHCL = MOLAL(1)*MOLAL(4)/A4\nC\n200 RETURN\nC\nC *** END OF SUBROUTINE CALCMDRPII **************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCHS4\nC *** THIS SUBROUTINE CALCULATES THE HSO4 GENERATED FROM (H,SO4).\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCHS4 (HI, SO4I, HSO4I, DELTA)\n INCLUDE 'isrpia.inc'\nCC CHARACTER ERRINF*40\nC\nC *** IF TOO LITTLE WATER, DONT SOLVE\nC\n IF (WATER.LE.1d1*TINY) THEN\n DELTA = ZERO \n RETURN\n ENDIF\nC\nC *** CALCULATE HSO4 SPECIATION *****************************************\nC\n A8 = XK1*WATER/GAMA(7)*(GAMA(8)/GAMA(7))**2.\nC\n BB =-(HI + SO4I + A8)\n CC = HI*SO4I - HSO4I*A8\n DD = BB*BB - 4.D0*CC\nC\n IF (DD.GE.ZERO) THEN\n SQDD = SQRT(DD)\n DELTA1 = 0.5*(-BB + SQDD)\n DELTA2 = 0.5*(-BB - SQDD)\n IF (HSO4I.LE.TINY) THEN\n DELTA = DELTA2\n ELSEIF( HI*SO4I .GE. A8*HSO4I ) THEN\n DELTA = DELTA2\n ELSEIF( HI*SO4I .LT. A8*HSO4I ) THEN\n DELTA = DELTA1\n ELSE\n DELTA = ZERO\n ENDIF\n ELSE\n DELTA = ZERO\n ENDIF\nCCC\nCCC *** COMPARE DELTA TO TOTAL H+ ; ESTIMATE EFFECT OF HSO4 ***************\nCCC\nCC HYD = MAX(HI, MOLAL(1))\nCC IF (HYD.GT.TINY) THEN\nCC IF (DELTA/HYD.GT.0.1d0) THEN\nCC WRITE (ERRINF,'(1PE10.3)') DELTA/HYD*100.0\nCC CALL PUSHERR (0020, ERRINF)\nCC ENDIF\nCC ENDIF\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCHS4 *****************************************\nC\n END\n\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCPH\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCPH (GG, HI, OHI)\n INCLUDE 'isrpia.inc'\nC\n AKW = XKW *RH*WATER*WATER\n CN = SQRT(AKW)\nC\nC *** GG = (negative charge) - (positive charge)\nC\n IF (GG.GT.TINY) THEN ! H+ in excess\n BB =-GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n HI = MAX(0.5D0*(-BB + SQRT(DD)),CN)\n OHI= AKW/HI\n ELSE ! OH- in excess\n BB = GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n OHI= MAX(0.5D0*(-BB + SQRT(DD)),CN)\n HI = AKW/OHI\n ENDIF\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCPH ******************************************\nC\n END\n\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCACT\nC *** CALCULATES MULTI-COMPONENT ACTIVITY COEFFICIENTS FROM BROMLEYS\nC METHOD. THE BINARY ACTIVITY COEFFICIENTS ARE CALCULATED BY\nC KUSIK-MEISNER RELATION (SUBROUTINE KMTAB or SUBROUTINE KMFUL).\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCACT\n INCLUDE 'isrpia.inc'\nC\n COMMON /DRVINP/ WI(8), RHI, TEMPI, IPROBI, METSTBLI, IACALCI,\n & NADJI\nC\n IF (W(1)+W(4)+W(5)+W(6)+W(7)+W(8) .LE. 6.d0*TINY) THEN !Ca,K,Mg,Na,Cl,NO3=0\n CALL CALCACT1\n ELSE IF (W(1)+W(5)+W(6)+W(7)+W(8) .LE. 5.d0*TINY) THEN !Ca,K,Mg,Na,Cl=0\n CALL CALCACT2\n ELSE IF (W(6)+W(7)+W(8) .LE. 3.d0*TINY) THEN !Ca,K,Mg=0\n CALL CALCACT3\n ELSE\n CALL CALCACT4\n ENDIF\nC\nC *** Return point ; End of subroutine\nC\n RETURN\n END\n\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCACT4\nC *** CALCULATES MULTI-COMPONENT ACTIVITY COEFFICIENTS FROM BROMLEYS\nC METHOD FOR AN AMMONIUM-SULFATE-NITRATE-CHLORIDE-SODIUM-CALCIUM-POTASSIUM-MAGNESIUM\nC AEROSOL SYSTEM. THE BINARY ACTIVITY COEFFICIENTS ARE CALCULATED BY\nC KUSIK-MEISNER RELATION (SUBROUTINE KMTAB or SUBROUTINE KMFUL4).\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCACT4\n INCLUDE 'isrpia.inc'\nC\n REAL EX10\n REAL G0(6,4),ZPL,ZMI,AGAMA,SION,H,CH,F1(6),F2A(4),F2B(4)\n DOUBLE PRECISION MPL, XIJ, YJI\n DATA G0/24*0D0/\n\nC\n GA(I,J)= (F1(I)/Z(I) + F2A(J)/Z(J+3)) / (Z(I)+Z(J+3)) - H\n GB(I,J)= (F1(I)/Z(I+4) + F2B(J)/Z(J+3)) / (Z(I+4)+Z(J+3)) - H\nC\nC *** SAVE ACTIVITIES IN OLD ARRAY *************************************\nC\n IF (FRST) THEN ! Outer loop\n DO 10 I=1,NPAIR\n GAMOU(I) = GAMA(I)\n10 CONTINUE\n ENDIF\nC\n DO 20 I=1,NPAIR ! Inner loop\n GAMIN(I) = GAMA(I)\n20 CONTINUE\nC\nC *** CALCULATE IONIC ACTIVITY OF SOLUTION *****************************\nC\n IONIC=0.0\n DO 30 I=1,NIONS\n IONIC=IONIC + MOLAL(I)*Z(I)*Z(I)\n30 CONTINUE\n IONIC = MAX(MIN(0.5*IONIC/WATER,100.d0), TINY)\nC\nC *** CALCULATE BINARY ACTIVITY COEFFICIENTS ***************************\nC\nC G0(1,1)=G11;G0(1,2)=G07;G0(1,3)=G08;G0(1,4)=G10;G0(2,1)=G01;G0(2,2)=G02\nC G0(2,3)=G12;G0(2,4)=G03;G0(3,1)=G06;G0(3,2)=G04;G0(3,3)=G09;G0(3,4)=G05\nC\n IF (IACALC.EQ.0) THEN ! K.M.; FULL\n CALL KMFUL4 (IONIC, SNGL(TEMP),G0(2,1),G0(2,2),G0(2,4),\n & G0(3,2),G0(3,4),G0(3,1),G0(1,2),G0(1,3),G0(3,3),\n & G0(1,4),G0(1,1),G0(2,3),G0(4,4),G0(4,1),G0(5,2),\n & G0(5,3),G0(5,4),G0(5,1),G0(6,2),G0(6,4),G0(6,1))\n ELSE ! K.M.; TABULATED\n CALL KMTAB (IONIC, SNGL(TEMP),G0(2,1),G0(2,2),G0(2,4),\n & G0(3,2),G0(3,4),G0(3,1),G0(1,2),G0(1,3),G0(3,3),\n & G0(1,4),G0(1,1),G0(2,3),G0(4,4),G0(4,1),G0(5,2),\n & G0(5,3),G0(5,4),G0(5,1),G0(6,2),G0(6,4),G0(6,1))\n ENDIF\nC\nC *** CALCULATE MULTICOMPONENT ACTIVITY COEFFICIENTS *******************\nC\n AGAMA = 0.511*(298.0/TEMP)**1.5 ! Debye Huckel const. at T\n SION = SQRT(IONIC)\n H = AGAMA*SION/(1+SION)\nC\n DO 100 I=1,4\n F1(I)=0.0\n F2A(I)=0.0\n F2B(I)=0.0\n100 CONTINUE\n F1(5)=0.0\n F1(6)=0.0\nC\n DO 110 I=1,3\n ZPL = Z(I)\n MPL = MOLAL(I)/WATER\n DO 110 J=1,4\n ZMI = Z(J+3)\n CH = 0.25*(ZPL+ZMI)*(ZPL+ZMI)/IONIC\n XIJ = CH*MPL\n YJI = CH*MOLAL(J+3)/WATER\n F1(I) = F1(I) + SNGL(YJI*(G0(I,J) + ZPL*ZMI*H))\n F2A(J) = F2A(J) + SNGL(XIJ*(G0(I,J) + ZPL*ZMI*H))\n110 CONTINUE\nC\n DO 330 I=4,6\n ZPL = Z(I+4)\n MPL = MOLAL(I+4)/WATER\n DO 330 J=1,4\n ZMI = Z(J+3)\n IF (J.EQ.3) THEN\n IF (I.EQ.4 .OR. I.EQ.6) THEN\n GO TO 330\n ENDIF\n ENDIF\n CH = 0.25*(ZPL+ZMI)*(ZPL+ZMI)/IONIC\n XIJ = CH*MPL\n YJI = CH*MOLAL(J+3)/WATER\n F1(I) = F1(I) + SNGL(YJI*(G0(I,J) + ZPL*ZMI*H))\n F2B(J) = F2B(J) + SNGL(XIJ*(G0(I,J) + ZPL*ZMI*H))\n330 CONTINUE\n\nC\nC *** LOG10 OF ACTIVITY COEFFICIENTS ***********************************\nC\n GAMA(01) = GA(2,1)*ZZ(01) ! NACL\n GAMA(02) = GA(2,2)*ZZ(02) ! NA2SO4\n GAMA(03) = GA(2,4)*ZZ(03) ! NANO3\n GAMA(04) = GA(3,2)*ZZ(04) ! (NH4)2SO4\n GAMA(05) = GA(3,4)*ZZ(05) ! NH4NO3\n GAMA(06) = GA(3,1)*ZZ(06) ! NH4CL\n GAMA(07) = GA(1,2)*ZZ(07) ! 2H-SO4\n GAMA(08) = GA(1,3)*ZZ(08) ! H-HSO4\n GAMA(09) = GA(3,3)*ZZ(09) ! NH4HSO4\n GAMA(10) = GA(1,4)*ZZ(10) ! HNO3\n GAMA(11) = GA(1,1)*ZZ(11) ! HCL\n GAMA(12) = GA(2,3)*ZZ(12) ! NAHSO4\n GAMA(13) = 0.20*(3.0*GAMA(04)+2.0*GAMA(09)) ! LC ; SCAPE\nCC GAMA(13) = 0.50*(GAMA(04)+GAMA(09)) ! LC ; SEQUILIB\nCC GAMA(13) = 0.25*(3.0*GAMA(04)+GAMA(07)) ! LC ; AIM\n GAMA(14) = 0.0d0 ! CASO4\n GAMA(15) = GB(4,4)*ZZ(15) ! CA(NO3)2\n GAMA(16) = GB(4,1)*ZZ(16) ! CACL2\n GAMA(17) = GB(5,2)*ZZ(17) ! K2SO4\n GAMA(18) = GB(5,3)*ZZ(18) ! KHSO4\n GAMA(19) = GB(5,4)*ZZ(19) ! KNO3\n GAMA(20) = GB(5,1)*ZZ(20) ! KCL\n GAMA(21) = GB(6,2)*ZZ(21) ! MGSO4\n GAMA(22) = GB(6,4)*ZZ(22) ! MG(NO3)2\n GAMA(23) = GB(6,1)*ZZ(23) ! MGCL2\nC\nC *** CONVERT LOG (GAMA) COEFFICIENTS TO GAMA **************************\nC\n DO 200 I=1,NPAIR\n GAMA(I)=MAX(-5.0d0, MIN(GAMA(I),5.0d0) ) ! F77 LIBRARY ROUTINE\n GAMA(I)=10.0**GAMA(I)\nC GAMA(I)=EX10(SNGL(GAMA(I)), 5.0) ! CUTOFF SET TO [-5,5]\n 200 CONTINUE\nC\nC *** SETUP ACTIVITY CALCULATION FLAGS ********************************\nC\nC OUTER CALCULATION LOOP ; ONLY IF FRST=.TRUE.\nC\n IF (FRST) THEN\n ERROU = ZERO ! CONVERGENCE CRITERION\n DO 210 I=1,NPAIR\n ERROU=MAX(ERROU, ABS((GAMOU(I)-GAMA(I))/GAMOU(I)))\n210 CONTINUE\n CALAOU = ERROU .GE. EPSACT ! SETUP FLAGS\n FRST =.FALSE.\n ENDIF\nC\nC INNER CALCULATION LOOP ; ALWAYS\nC\n ERRIN = ZERO ! CONVERGENCE CRITERION\n DO 220 I=1,NPAIR\n ERRIN = MAX (ERRIN, ABS((GAMIN(I)-GAMA(I))/GAMIN(I)))\n220 CONTINUE\n CALAIN = ERRIN .GE. EPSACT\nC\n ICLACT = ICLACT + 1 ! Increment ACTIVITY call counter\nC\nC *** END OF SUBROUTINE ACTIVITY ****************************************\nC\n RETURN\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCACT3\nC *** CALCULATES MULTI-COMPONENT ACTIVITY COEFFICIENTS FROM BROMLEYS\nC METHOD FOR AN AMMONIUM-SULFATE-NITRATE-CHLORIDE-SODIUM AEROSOL SYSTEM.\nC THE BINARY ACTIVITY COEFFICIENTS ARE CALCULATED BY\nC KUSIK-MEISNER RELATION (SUBROUTINE KMTAB or SUBROUTINE KMFUL3).\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCACT3\n INCLUDE 'isrpia.inc'\nC\n REAL EX10, URF\n REAL G0(6,4),ZPL,ZMI,AGAMA,SION,H,CH,F1(3),F2(4)\n DOUBLE PRECISION MPL, XIJ, YJI\n PARAMETER (URF=0.5)\n DATA G0/24*0D0/\nC PARAMETER (LN10=2.30258509299404568402D0)\nC\n G(I,J)= (F1(I)/Z(I) + F2(J)/Z(J+3)) / (Z(I)+Z(J+3)) - H\nC\nC *** SAVE ACTIVITIES IN OLD ARRAY *************************************\nC\n IF (FRST) THEN ! Outer loop\n DO 10 I=1,13\n GAMOU(I) = GAMA(I)\n10 CONTINUE\n ENDIF\nC\n DO 20 I=1,13 ! Inner loop\n GAMIN(I) = GAMA(I)\n20 CONTINUE\nC\nC *** CALCULATE IONIC ACTIVITY OF SOLUTION *****************************\nC\n IONIC=0.0\n DO 30 I=1,7\n IONIC=IONIC + MOLAL(I)*Z(I)*Z(I)\n30 CONTINUE\n IONIC = MAX(MIN(0.5*IONIC/WATER,100.d0), TINY)\nC\nC *** CALCULATE BINARY ACTIVITY COEFFICIENTS ***************************\nC\nC G0(1,1)=G11;G0(1,2)=G07;G0(1,3)=G08;G0(1,4)=G10;G0(2,1)=G01;G0(2,2)=G02\nC G0(2,3)=G12;G0(2,4)=G03;G0(3,1)=G06;G0(3,2)=G04;G0(3,3)=G09;G0(3,4)=G05\nC\n IF (IACALC.EQ.0) THEN ! K.M.; FULL\n CALL KMFUL3 (IONIC, SNGL(TEMP),G0(2,1),G0(2,2),G0(2,4),\n & G0(3,2),G0(3,4),G0(3,1),G0(1,2),G0(1,3),G0(3,3),\n & G0(1,4),G0(1,1),G0(2,3))\n ELSE ! K.M.; TABULATED\n CALL KMTAB (IONIC, SNGL(TEMP),G0(2,1),G0(2,2),G0(2,4),\n & G0(3,2),G0(3,4),G0(3,1),G0(1,2),G0(1,3),G0(3,3),\n & G0(1,4),G0(1,1),G0(2,3),G0(4,4),G0(4,1),G0(5,2),\n & G0(5,3),G0(5,4),G0(5,1),G0(6,2),G0(6,4),G0(6,1))\n ENDIF\nC\nC *** CALCULATE MULTICOMPONENT ACTIVITY COEFFICIENTS *******************\nC\n AGAMA = 0.511*(298.0/TEMP)**1.5 ! Debye Huckel const. at T\n SION = SQRT(IONIC)\n H = AGAMA*SION/(1+SION)\nC\n DO 100 I=1,3\n F1(I)=0.0\n F2(I)=0.0\n100 CONTINUE\n F2(4)=0.0\nC\n DO 110 I=1,3\n ZPL = Z(I)\n MPL = MOLAL(I)/WATER\n DO 110 J=1,4\n ZMI = Z(J+3)\n CH = 0.25*(ZPL+ZMI)*(ZPL+ZMI)/IONIC\n XIJ = CH*MPL\n YJI = CH*MOLAL(J+3)/WATER\n F1(I) = F1(I) + SNGL(YJI*(G0(I,J) + ZPL*ZMI*H))\n F2(J) = F2(J) + SNGL(XIJ*(G0(I,J) + ZPL*ZMI*H))\n110 CONTINUE\nC\nC *** LOG10 OF ACTIVITY COEFFICIENTS ***********************************\nC\n GAMA(01) = G(2,1)*ZZ(01) ! NACL\n GAMA(02) = G(2,2)*ZZ(02) ! NA2SO4\n GAMA(03) = G(2,4)*ZZ(03) ! NANO3\n GAMA(04) = G(3,2)*ZZ(04) ! (NH4)2SO4\n GAMA(05) = G(3,4)*ZZ(05) ! NH4NO3\n GAMA(06) = G(3,1)*ZZ(06) ! NH4CL\n GAMA(07) = G(1,2)*ZZ(07) ! 2H-SO4\n GAMA(08) = G(1,3)*ZZ(08) ! H-HSO4\n GAMA(09) = G(3,3)*ZZ(09) ! NH4HSO4\n GAMA(10) = G(1,4)*ZZ(10) ! HNO3\n GAMA(11) = G(1,1)*ZZ(11) ! HCL\n GAMA(12) = G(2,3)*ZZ(12) ! NAHSO4\n GAMA(13) = 0.20*(3.0*GAMA(04)+2.0*GAMA(09)) ! LC ; SCAPE\nCC GAMA(13) = 0.50*(GAMA(04)+GAMA(09)) ! LC ; SEQUILIB\nCC GAMA(13) = 0.25*(3.0*GAMA(04)+GAMA(07)) ! LC ; AIM\nC\nC *** CONVERT LOG (GAMA) COEFFICIENTS TO GAMA **************************\nC\n DO 200 I=1,13\n GAMA(I)=MAX(-5.0d0, MIN(GAMA(I),5.0d0) ) ! F77 LIBRARY ROUTINE\n GAMA(I)=10.0**GAMA(I)\nC GAMA(I)=EXP(LN10*GAMA(I))\nC GAMA(I)=EX10(SNGL(GAMA(I)), 5.0) ! CUTOFF SET TO [-5,5]\nC GAMA(I) = GAMIN(I)*(1.0-URF) + URF*GAMA(I) ! Under-relax GAMA's\n 200 CONTINUE\nC\nC *** SETUP ACTIVITY CALCULATION FLAGS *********************************\nC\nC OUTER CALCULATION LOOP ; ONLY IF FRST=.TRUE.\nC\n IF (FRST) THEN\n ERROU = ZERO ! CONVERGENCE CRITERION\n DO 210 I=1,13\n ERROU=MAX(ERROU, ABS((GAMOU(I)-GAMA(I))/GAMOU(I)))\n210 CONTINUE\n CALAOU = ERROU .GE. EPSACT ! SETUP FLAGS\n FRST =.FALSE.\n ENDIF\nC\nC INNER CALCULATION LOOP ; ALWAYS\nC\n ERRIN = ZERO ! CONVERGENCE CRITERION\n DO 220 I=1,13\n ERRIN = MAX (ERRIN, ABS((GAMIN(I)-GAMA(I))/GAMIN(I)))\n220 CONTINUE\n CALAIN = ERRIN .GE. EPSACT\nC\n ICLACT = ICLACT + 1 ! Increment ACTIVITY call counter\nC\nC *** END OF SUBROUTINE ACTIVITY ****************************************\nC\n RETURN\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCACT2\nC *** CALCULATES MULTI-COMPONENT ACTIVITY COEFFICIENTS FROM BROMLEYS\nC METHOD FOR AN AMMONIUM-SULFATE-NITRATE AEROSOL SYSTEM.\nC THE BINARY ACTIVITY COEFFICIENTS ARE CALCULATED BY\nC KUSIK-MEISNER RELATION (SUBROUTINE KMTAB or SUBROUTINE KMFUL2).\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCACT2\n INCLUDE 'isrpia.inc'\nC\n REAL EX10, URF\n REAL G0(6,4),ZPL,ZMI,AGAMA,SION,H,CH,F1(3),F2(4)\n DOUBLE PRECISION MPL, XIJ, YJI\n PARAMETER (URF=0.5)\n DATA G0/24*0D0/\nC PARAMETER (LN10=2.30258509299404568402D0)\nC\n G(I,J)= (F1(I)/Z(I) + F2(J)/Z(J+3)) / (Z(I)+Z(J+3)) - H\nC\nC *** SAVE ACTIVITIES IN OLD ARRAY *************************************\nC\n IF (FRST) THEN ! Outer loop\n DO 10 I=7,10\n GAMOU(I) = GAMA(I)\n10 CONTINUE\n GAMOU(4) = GAMA(4)\n GAMOU(5) = GAMA(5)\n GAMOU(13) = GAMA(13)\n ENDIF\nC\n DO 20 I=7,10 ! Inner loop\n GAMIN(I) = GAMA(I)\n20 CONTINUE\n GAMIN(4) = GAMA(4)\n GAMIN(5) = GAMA(5)\n GAMIN(13) = GAMA(13)\nC\nC *** CALCULATE IONIC ACTIVITY OF SOLUTION *****************************\nC\n IONIC=0.0\n MOLAL(2) = ZERO\n MOLAL(4) = ZERO\n DO 30 I=1,7\n IONIC=IONIC + MOLAL(I)*Z(I)*Z(I)\n30 CONTINUE\n IONIC = MAX(MIN(0.5*IONIC/WATER,100.d0), TINY)\nC\nC *** CALCULATE BINARY ACTIVITY COEFFICIENTS ***************************\nC\nC G0(1,1)=G11;G0(1,2)=G07;G0(1,3)=G08;G0(1,4)=G10;G0(2,1)=G01;G0(2,2)=G02\nC G0(2,3)=G12;G0(2,4)=G03;G0(3,1)=G06;G0(3,2)=G04;G0(3,3)=G09;G0(3,4)=G05\nC\n IF (IACALC.EQ.0) THEN ! K.M.; FULL\n CALL KMFUL2 (IONIC, SNGL(TEMP),G0(3,2),G0(3,4),G0(1,2),\n & G0(1,3),G0(3,3),G0(1,4))\n ELSE ! K.M.; TABULATED\n CALL KMTAB (IONIC, SNGL(TEMP),G0(2,1),G0(2,2),G0(2,4),\n & G0(3,2),G0(3,4),G0(3,1),G0(1,2),G0(1,3),G0(3,3),\n & G0(1,4),G0(1,1),G0(2,3),G0(4,4),G0(4,1),G0(5,2),\n & G0(5,3),G0(5,4),G0(5,1),G0(6,2),G0(6,4),G0(6,1))\n ENDIF\nC\nC *** CALCULATE MULTICOMPONENT ACTIVITY COEFFICIENTS *******************\nC\n AGAMA = 0.511*(298.0/TEMP)**1.5 ! Debye Huckel const. at T\n SION = SQRT(IONIC)\n H = AGAMA*SION/(1+SION)\nC\n DO 100 I=1,3\n F1(I)=0.0\n F2(I)=0.0\n100 CONTINUE\n F2(4)=0.0\nC\n DO 110 I=1,3,2\n ZPL = Z(I)\n MPL = MOLAL(I)/WATER\n DO 110 J=2,4\n ZMI = Z(J+3)\n CH = 0.25*(ZPL+ZMI)*(ZPL+ZMI)/IONIC\n XIJ = CH*MPL\n YJI = CH*MOLAL(J+3)/WATER\n F1(I) = F1(I) + SNGL(YJI*(G0(I,J) + ZPL*ZMI*H))\n F2(J) = F2(J) + SNGL(XIJ*(G0(I,J) + ZPL*ZMI*H))\n110 CONTINUE\nC\nC *** LOG10 OF ACTIVITY COEFFICIENTS ***********************************\nC\nC GAMA(01) = G(2,1)*ZZ(01) ! NACL\nC GAMA(02) = G(2,2)*ZZ(02) ! NA2SO4\nC GAMA(03) = G(2,4)*ZZ(03) ! NANO3\n GAMA(04) = G(3,2)*ZZ(04) ! (NH4)2SO4\n GAMA(05) = G(3,4)*ZZ(05) ! NH4NO3\nC GAMA(06) = G(3,1)*ZZ(06) ! NH4CL\n GAMA(07) = G(1,2)*ZZ(07) ! 2H-SO4\n GAMA(08) = G(1,3)*ZZ(08) ! H-HSO4\n GAMA(09) = G(3,3)*ZZ(09) ! NH4HSO4\n GAMA(10) = G(1,4)*ZZ(10) ! HNO3\nC GAMA(11) = G(1,1)*ZZ(11) ! HCL\nC GAMA(12) = G(2,3)*ZZ(12) ! NAHSO4\n GAMA(13) = 0.20*(3.0*GAMA(04)+2.0*GAMA(09)) ! LC ; SCAPE\nCC GAMA(13) = 0.50*(GAMA(04)+GAMA(09)) ! LC ; SEQUILIB\nCC GAMA(13) = 0.25*(3.0*GAMA(04)+GAMA(07)) ! LC ; AIM\nC\nC *** CONVERT LOG (GAMA) COEFFICIENTS TO GAMA **************************\nC\n DO 200 I=7,10\n GAMA(I)=MAX(-5.0d0, MIN(GAMA(I),5.0d0) ) ! F77 LIBRARY ROUTINE\n GAMA(I)=10.0**GAMA(I)\nC GAMA(I)=EXP(LN10*GAMA(I))\nC GAMA(I)=EX10(SNGL(GAMA(I)), 5.0) ! CUTOFF SET TO [-5,5]\nC GAMA(I) = GAMIN(I)*(1.0-URF) + URF*GAMA(I) ! Under-relax GAMA's\n 200 CONTINUE\nC\n GAMA(4)=MAX(-5.0d0, MIN(GAMA(4),5.0d0) ) ! F77 LIBRARY ROUTINE\n GAMA(4)=10.0**GAMA(4)\nC GAMA(I)=EXP(LN10*GAMA(I))\nC GAMA(4)=EX10(SNGL(GAMA(4)), 5.0) ! CUTOFF SET TO [-5,5]\nC GAMA(4) = GAMIN(4)*(1.0-URF) + URF*GAMA(4) ! Under-relax GAMA's\nC\n GAMA(5)=MAX(-5.0d0, MIN(GAMA(5),5.0d0) ) ! F77 LIBRARY ROUTINE\n GAMA(5)=10.0**GAMA(5)\nC GAMA(I)=EXP(LN10*GAMA(I))\nC GAMA(5)=EX10(SNGL(GAMA(5)), 5.0) ! CUTOFF SET TO [-5,5]\nC GAMA(5) = GAMIN(5)*(1.0-URF) + URF*GAMA(I) ! Under-relax GAMA's\nC\n GAMA(13)=MAX(-5.0d0, MIN(GAMA(13),5.0d0) ) ! F77 LIBRARY ROUTINE\n GAMA(13)=10.0**GAMA(13)\nC GAMA(I)=EXP(LN10*GAMA(I))\nC GAMA(13)=EX10(SNGL(GAMA(13)), 5.0) ! CUTOFF SET TO [-5,5]\nC GAMA(13) = GAMIN(13)*(1.0-URF) + URF*GAMA(13) ! Under-relax GAMA's\nC\nC *** SETUP ACTIVITY CALCULATION FLAGS *********************************\nC\nC OUTER CALCULATION LOOP ; ONLY IF FRST=.TRUE.\nC\n IF (FRST) THEN\n ERROU = ZERO ! CONVERGENCE CRITERION\n DO 210 I=7,10\n ERROU=MAX(ERROU, ABS((GAMOU(I)-GAMA(I))/GAMOU(I)))\n210 CONTINUE\n ERROU=MAX(ERROU, ABS((GAMOU(4)-GAMA(4))/GAMOU(4)))\n ERROU=MAX(ERROU, ABS((GAMOU(5)-GAMA(5))/GAMOU(5)))\n ERROU=MAX(ERROU, ABS((GAMOU(13)-GAMA(13))/GAMOU(13)))\nC\n CALAOU = ERROU .GE. EPSACT ! SETUP FLAGS\n FRST =.FALSE.\n ENDIF\nC\nC INNER CALCULATION LOOP ; ALWAYS\nC\n ERRIN = ZERO ! CONVERGENCE CRITERION\n DO 220 I=7,10\n ERRIN = MAX (ERRIN, ABS((GAMIN(I)-GAMA(I))/GAMIN(I)))\n220 CONTINUE\n ERRIN = MAX (ERRIN, ABS((GAMIN(4)-GAMA(4))/GAMIN(4)))\n ERRIN = MAX (ERRIN, ABS((GAMIN(5)-GAMA(5))/GAMIN(5)))\n ERRIN = MAX (ERRIN, ABS((GAMIN(13)-GAMA(13))/GAMIN(13)))\n CALAIN = ERRIN .GE. EPSACT\nC\n ICLACT = ICLACT + 1 ! Increment ACTIVITY call counter\nC\nC *** END OF SUBROUTINE ACTIVITY ****************************************\nC\n RETURN\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCACT1\nC *** CALCULATES MULTI-COMPONENT ACTIVITY COEFFICIENTS FROM BROMLEYS\nC METHOD FOR AN AMMONIUM-SULFATE AEROSOL SYSTEM.\nC THE BINARY ACTIVITY COEFFICIENTS ARE CALCULATED BY\nC KUSIK-MEISNER RELATION (SUBROUTINE KMTAB or SUBROUTINE KMFUL1).\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCACT1\n INCLUDE 'isrpia.inc'\nC\n REAL EX10, URF\n REAL G0(6,4),ZPL,ZMI,AGAMA,SION,H,CH,F1(3),F2(4)\n DOUBLE PRECISION MPL, XIJ, YJI\n PARAMETER (URF=0.5)\n DATA G0/24*0D0/\nC PARAMETER (LN10=2.30258509299404568402D0)\nC\n G(I,J)= (F1(I)/Z(I) + F2(J)/Z(J+3)) / (Z(I)+Z(J+3)) - H\nC\nC *** SAVE ACTIVITIES IN OLD ARRAY *************************************\nC\n IF (FRST) THEN ! Outer loop\n DO 10 I=7,9\n GAMOU(I) = GAMA(I)\n10 CONTINUE\n GAMOU(4) = GAMA(4)\nC GAMOU(5) = GAMA(5)\n GAMOU(13) = GAMA(13)\n ENDIF\nC\n DO 20 I=7,9 ! Inner loop\n GAMIN(I) = GAMA(I)\n20 CONTINUE\n GAMIN(4) = GAMA(4)\nC GAMIN(5) = GAMA(5)\n GAMIN(13) = GAMA(13)\nC\nC *** CALCULATE IONIC ACTIVITY OF SOLUTION *****************************\nC\n IONIC=0.0\n MOLAL(2) = ZERO\n MOLAL(4) = ZERO\n MOLAL(7) = ZERO\n DO 30 I=1,7\n IONIC=IONIC + MOLAL(I)*Z(I)*Z(I)\n30 CONTINUE\n IONIC = MAX(MIN(0.5*IONIC/WATER,100.d0), TINY)\nC\nC *** CALCULATE BINARY ACTIVITY COEFFICIENTS ***************************\nC\nC G0(1,1)=G11;G0(1,2)=G07;G0(1,3)=G08;G0(1,4)=G10;G0(2,1)=G01;G0(2,2)=G02\nC G0(2,3)=G12;G0(2,4)=G03;G0(3,1)=G06;G0(3,2)=G04;G0(3,3)=G09;G0(3,4)=G05\nC\n IF (IACALC.EQ.0) THEN ! K.M.; FULL\n CALL KMFUL1 (IONIC, SNGL(TEMP),G0(3,2),G0(1,2),\n & G0(1,3),G0(3,3))\n ELSE ! K.M.; TABULATED\n CALL KMTAB (IONIC, SNGL(TEMP),G0(2,1),G0(2,2),G0(2,4),\n & G0(3,2),G0(3,4),G0(3,1),G0(1,2),G0(1,3),G0(3,3),\n & G0(1,4),G0(1,1),G0(2,3),G0(4,4),G0(4,1),G0(5,2),\n & G0(5,3),G0(5,4),G0(5,1),G0(6,2),G0(6,4),G0(6,1))\n ENDIF\nC\nC *** CALCULATE MULTICOMPONENT ACTIVITY COEFFICIENTS *******************\nC\n AGAMA = 0.511*(298.0/TEMP)**1.5 ! Debye Huckel const. at T\n SION = SQRT(IONIC)\n H = AGAMA*SION/(1+SION)\nC\n DO 100 I=1,3\n F1(I)=0.0\n F2(I)=0.0\n100 CONTINUE\n F2(4)=0.0\nC\n DO 110 I=1,3,2\n ZPL = Z(I)\n MPL = MOLAL(I)/WATER\n DO 110 J=2,3\n ZMI = Z(J+3)\n CH = 0.25*(ZPL+ZMI)*(ZPL+ZMI)/IONIC\n XIJ = CH*MPL\n YJI = CH*MOLAL(J+3)/WATER\n F1(I) = F1(I) + SNGL(YJI*(G0(I,J) + ZPL*ZMI*H))\n F2(J) = F2(J) + SNGL(XIJ*(G0(I,J) + ZPL*ZMI*H))\n110 CONTINUE\nC\nC *** LOG10 OF ACTIVITY COEFFICIENTS ***********************************\nC\nC GAMA(01) = G(2,1)*ZZ(01) ! NACL\nC GAMA(02) = G(2,2)*ZZ(02) ! NA2SO4\nC GAMA(03) = G(2,4)*ZZ(03) ! NANO3\n GAMA(04) = G(3,2)*ZZ(04) ! (NH4)2SO4\nC GAMA(05) = G(3,4)*ZZ(05) ! NH4NO3\nC GAMA(06) = G(3,1)*ZZ(06) ! NH4CL\n GAMA(07) = G(1,2)*ZZ(07) ! 2H-SO4\n GAMA(08) = G(1,3)*ZZ(08) ! H-HSO4\n GAMA(09) = G(3,3)*ZZ(09) ! NH4HSO4\nC GAMA(09) = 0.5*(GAMA(04)+GAMA(07)) ! NH4HSO4 ; AIM (Wexler & Seinfeld, 1991)\nC GAMA(10) = G(1,4)*ZZ(10) ! HNO3\nC GAMA(11) = G(1,1)*ZZ(11) ! HCL\nC GAMA(12) = G(2,3)*ZZ(12) ! NAHSO4\n GAMA(13) = 0.20*(3.0*GAMA(04)+2.0*GAMA(09)) ! LC ; SCAPE\nCC GAMA(13) = 0.50*(GAMA(04)+GAMA(09)) ! LC ; SEQUILIB\nCC GAMA(13) = 0.25*(3.0*GAMA(04)+GAMA(07)) ! LC ; AIM\nC\nC *** CONVERT LOG (GAMA) COEFFICIENTS TO GAMA **************************\nC\n DO 200 I=7,9\n GAMA(I)=MAX(-5.0d0, MIN(GAMA(I),5.0d0) ) ! F77 LIBRARY ROUTINE\n GAMA(I)=10.0**GAMA(I)\nC GAMA(I)=EXP(LN10*GAMA(I))\nC GAMA(I)=EX10(SNGL(GAMA(I)), 5.0) ! CUTOFF SET TO [-5,5]\nC GAMA(I) = GAMIN(I)*(1.0-URF) + URF*GAMA(I) ! Under-relax GAMA's\n 200 CONTINUE\nC\n GAMA(4)=MAX(-5.0d0, MIN(GAMA(4),5.0d0) ) ! F77 LIBRARY ROUTINE\n GAMA(4)=10.0**GAMA(4)\nC GAMA(I)=EXP(LN10*GAMA(I))\nC GAMA(4)=EX10(SNGL(GAMA(4)), 5.0) ! CUTOFF SET TO [-5,5]\nC GAMA(4) = GAMIN(4)*(1.0-URF) + URF*GAMA(4) ! Under-relax GAMA's\nC\nC GAMA(5)=MAX(-5.0d0, MIN(GAMA(5),5.0d0) ) ! F77 LIBRARY ROUTINE\nC GAMA(5)=10.0**GAMA(5)\nCC GAMA(I)=EXP(LN10*GAMA(I))\nC GAMA(5)=EX10(SNGL(GAMA(I)), 5.0) ! CUTOFF SET TO [-5,5]\nC GAMA(5) = GAMIN(5)*(1.0-URF) + URF*GAMA(I) ! Under-relax GAMA's\nC\n GAMA(13)=MAX(-5.0d0, MIN(GAMA(13),5.0d0) ) ! F77 LIBRARY ROUTINE\n GAMA(13)=10.0**GAMA(13)\nC GAMA(I)=EXP(LN10*GAMA(I))\nC GAMA(13)=EX10(SNGL(GAMA(13)), 5.0) ! CUTOFF SET TO [-5,5]\nC GAMA(13) = GAMIN(13)*(1.0-URF) + URF*GAMA(13) ! Under-relax GAMA's\nC\nC *** SETUP ACTIVITY CALCULATION FLAGS *********************************\nC\nC OUTER CALCULATION LOOP ; ONLY IF FRST=.TRUE.\nC\n IF (FRST) THEN\n ERROU = ZERO ! CONVERGENCE CRITERION\n DO 210 I=7,9\n ERROU=MAX(ERROU, ABS((GAMOU(I)-GAMA(I))/GAMOU(I)))\n210 CONTINUE\n ERROU=MAX(ERROU, ABS((GAMOU(4)-GAMA(4))/GAMOU(4)))\nC ERROU=MAX(ERROU, ABS((GAMOU(5)-GAMA(5))/GAMOU(5)))\n ERROU=MAX(ERROU, ABS((GAMOU(13)-GAMA(13))/GAMOU(13)))\nC\n CALAOU = ERROU .GE. EPSACT ! SETUP FLAGS\n FRST =.FALSE.\n ENDIF\nC\nC INNER CALCULATION LOOP ; ALWAYS\nC\n ERRIN = ZERO ! CONVERGENCE CRITERION\n DO 220 I=7,9\n ERRIN = MAX (ERRIN, ABS((GAMIN(I)-GAMA(I))/GAMIN(I)))\n220 CONTINUE\n ERRIN = MAX (ERRIN, ABS((GAMIN(4)-GAMA(4))/GAMIN(4)))\nC ERRIN = MAX (ERRIN, ABS((GAMIN(5)-GAMA(5))/GAMIN(5)))\n ERRIN = MAX (ERRIN, ABS((GAMIN(13)-GAMA(13))/GAMIN(13)))\n CALAIN = ERRIN .GE. EPSACT\nC\n ICLACT = ICLACT + 1 ! Increment ACTIVITY call counter\nC\nC *** END OF SUBROUTINE ACTIVITY ****************************************\nC\n RETURN\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE RSTGAM\nC *** RESETS ACTIVITY COEFFICIENT ARRAYS TO DEFAULT VALUE OF 0.1\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE RSTGAM\n INCLUDE 'isrpia.inc'\nC\n DO 10 I=1, NPAIR\n GAMA(I) = 0.1\n10 CONTINUE\nC\nC *** END OF SUBROUTINE RSTGAM ******************************************\nC\n RETURN\n END \nC\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE RSTGAMP\nC *** RESETS ACTIVITY COEFFICIENT ARRAYS TO DEFAULT VALUE OF 0.1 IF \nC *** GREATER THAN THE THRESHOLD VALUE.\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE RSTGAMP\n INCLUDE 'isrpia.inc'\n DOUBLE PRECISION GMAX, GTHRESH\n INTEGER I\nC\n GTHRESH = 100.D0\n GMAX = 0.1D0\n DO I=1, NPAIR\n GMAX = MAX(GMAX,GAMA(I))\n END DO\n IF ((GMAX) .GT. (GTHRESH)) THEN\n DO I = 1,NPAIR\n GAMA(I) = 1.D-1\n GAMIN(I) = GREAT\n GAMOU(I) = GREAT\n END DO\n CALAOU = .TRUE.\n FRST = .TRUE.\n ENDIF\nC \n END SUBROUTINE RSTGAMP\nC \nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE KMFUL4\nC *** CALCULATES BINARY ACTIVITY COEFFICIENTS BY KUSIK-MEISSNER METHOD\nC FOR AN AMMONIUM-SULFATE-NITRATE-CHLORIDE-SODIUM-CALCIUM-POTASSIUM-MAGNESIUM\nC AEROSOL SYSTEM.\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE KMFUL4 (IONIC,TEMP,G01,G02,G03,G04,G05,G06,G07,G08,G09,\n & G10,G11,G12,G15,G16,G17,G18,G19,G20,\n & G21,G22,G23)\n REAL Ionic, TEMP\n DATA Z01,Z02,Z03,Z04,Z05,Z06,Z07,Z08,Z10,Z11,Z15,Z16,Z17,Z19,Z20,\n & Z21,Z22,Z23/1, 2, 1, 2, 1, 1, 2, 1, 1, 1, 2, 2, 2, 1, 1, 4,\n & 2, 2/\nC\n SION = SQRT(IONIC)\nC\nC *** Coefficients at 25 oC\nC\n CALL MKBI(2.230, IONIC, SION, Z01, G01)\n CALL MKBI(-0.19, IONIC, SION, Z02, G02)\n CALL MKBI(-0.39, IONIC, SION, Z03, G03)\n CALL MKBI(-0.25, IONIC, SION, Z04, G04)\n CALL MKBI(-1.15, IONIC, SION, Z05, G05)\n CALL MKBI(0.820, IONIC, SION, Z06, G06)\n CALL MKBI(-.100, IONIC, SION, Z07, G07)\n CALL MKBI(8.000, IONIC, SION, Z08, G08)\n CALL MKBI(2.600, IONIC, SION, Z10, G10)\n CALL MKBI(6.000, IONIC, SION, Z11, G11)\n CALL MKBI(0.930, IONIC, SION, Z15, G15)\n CALL MKBI(2.400, IONIC, SION, Z16, G16)\n CALL MKBI(-0.25, IONIC, SION, Z17, G17)\n CALL MKBI(-2.33, IONIC, SION, Z19, G19)\n CALL MKBI(0.920, IONIC, SION, Z20, G20)\n CALL MKBI(0.150, IONIC, SION, Z21, G21)\n CALL MKBI(2.320, IONIC, SION, Z22, G22)\n CALL MKBI(2.900, IONIC, SION, Z23, G23)\nC\nC *** Correct for T other than 298 K\nC\n TI = TEMP-273.0\n TC = TI-25.0\n IF (ABS(TC) .GT. 1.0) THEN\n CF1 = 1.125-0.005*TI\n CF2 = (0.125-0.005*TI)*(0.039*IONIC**0.92-0.41*SION/(1.+SION))\n G01 = CF1*G01 - CF2*Z01\n G02 = CF1*G02 - CF2*Z02\n G03 = CF1*G03 - CF2*Z03\n G04 = CF1*G04 - CF2*Z04\n G05 = CF1*G05 - CF2*Z05\n G06 = CF1*G06 - CF2*Z06\n G07 = CF1*G07 - CF2*Z07\n G08 = CF1*G08 - CF2*Z08\n G10 = CF1*G10 - CF2*Z10\n G11 = CF1*G11 - CF2*Z11\n G15 = CF1*G15 - CF2*Z15\n G16 = CF1*G16 - CF2*Z16\n G17 = CF1*G17 - CF2*Z17\n G19 = CF1*G19 - CF2*Z19\n G20 = CF1*G20 - CF2*Z20\n G21 = CF1*G21 - CF2*Z21\n G22 = CF1*G22 - CF2*Z22\n G23 = CF1*G23 - CF2*Z23\n\n ENDIF\nC\n G09 = G06 + G08 - G11\n G12 = G01 + G08 - G11\n G18 = G08 + G20 - G11\nC\nC *** Return point ; End of subroutine\nC\n RETURN\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE KMFUL3\nC *** CALCULATES BINARY ACTIVITY COEFFICIENTS BY KUSIK-MEISSNER METHOD\nC FOR AN AMMONIUM-SULFATE-NITRATE-CHLORIDE-SODIUM AEROSOL SYSTEM.\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE KMFUL3 (IONIC,TEMP,G01,G02,G03,G04,G05,G06,G07,G08,G09,\n & G10,G11,G12)\n REAL Ionic, TEMP\n DATA Z01,Z02,Z03,Z04,Z05,Z06,Z07,Z08,Z10,Z11\n & /1, 2, 1, 2, 1, 1, 2, 1, 1, 1/\nC\n SION = SQRT(IONIC)\nC\nC *** Coefficients at 25 oC\nC\n CALL MKBI(2.230, IONIC, SION, Z01, G01)\n CALL MKBI(-0.19, IONIC, SION, Z02, G02)\n CALL MKBI(-0.39, IONIC, SION, Z03, G03)\n CALL MKBI(-0.25, IONIC, SION, Z04, G04)\n CALL MKBI(-1.15, IONIC, SION, Z05, G05)\n CALL MKBI(0.820, IONIC, SION, Z06, G06)\n CALL MKBI(-.100, IONIC, SION, Z07, G07)\n CALL MKBI(8.000, IONIC, SION, Z08, G08)\n CALL MKBI(2.600, IONIC, SION, Z10, G10)\n CALL MKBI(6.000, IONIC, SION, Z11, G11)\nC\nC *** Correct for T other than 298 K\nC\n TI = TEMP-273.0\n TC = TI-25.0\n IF (ABS(TC) .GT. 1.0) THEN\n CF1 = 1.125-0.005*TI\n CF2 = (0.125-0.005*TI)*(0.039*IONIC**0.92-0.41*SION/(1.+SION))\n G01 = CF1*G01 - CF2*Z01\n G02 = CF1*G02 - CF2*Z02\n G03 = CF1*G03 - CF2*Z03\n G04 = CF1*G04 - CF2*Z04\n G05 = CF1*G05 - CF2*Z05\n G06 = CF1*G06 - CF2*Z06\n G07 = CF1*G07 - CF2*Z07\n G08 = CF1*G08 - CF2*Z08\n G10 = CF1*G10 - CF2*Z10\n G11 = CF1*G11 - CF2*Z11\n ENDIF\nC\n G09 = G06 + G08 - G11\n G12 = G01 + G08 - G11\nC\nC *** Return point ; End of subroutine\nC\n RETURN\n END\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE KMFUL2\nC *** CALCULATES BINARY ACTIVITY COEFFICIENTS BY KUSIK-MEISSNER METHOD\nC FOR AN AMMONIUM-SULFATE-NITRATE AEROSOL SYSTEM.\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE KMFUL2 (IONIC,TEMP,G04,G05,G07,G08,G09,G10)\n REAL Ionic, TEMP\n REAL G06, G11\n DATA Z01,Z02,Z03,Z04,Z05,Z06,Z07,Z08,Z10,Z11\n & /1, 2, 1, 2, 1, 1, 2, 1, 1, 1/\nC\n SION = SQRT(IONIC)\nC\nC *** Coefficients at 25 oC\nC\nC CALL MKBI(2.230, IONIC, SION, Z01, G01)\nC CALL MKBI(-0.19, IONIC, SION, Z02, G02)\nC CALL MKBI(-0.39, IONIC, SION, Z03, G03)\n CALL MKBI(-0.25, IONIC, SION, Z04, G04)\n CALL MKBI(-1.15, IONIC, SION, Z05, G05)\n CALL MKBI(0.820, IONIC, SION, Z06, G06)\n CALL MKBI(-.100, IONIC, SION, Z07, G07)\n CALL MKBI(8.000, IONIC, SION, Z08, G08)\n CALL MKBI(2.600, IONIC, SION, Z10, G10)\n CALL MKBI(6.000, IONIC, SION, Z11, G11)\nC\nC *** Correct for T other than 298 K\nC\n TI = TEMP-273.0\n TC = TI-25.0\n IF (ABS(TC) .GT. 1.0) THEN\n CF1 = 1.125-0.005*TI\n CF2 = (0.125-0.005*TI)*(0.039*IONIC**0.92-0.41*SION/(1.+SION))\nC G01 = CF1*G01 - CF2*Z01\nC G02 = CF1*G02 - CF2*Z02\nC G03 = CF1*G03 - CF2*Z03\n G04 = CF1*G04 - CF2*Z04\n G05 = CF1*G05 - CF2*Z05\n G06 = CF1*G06 - CF2*Z06\n G07 = CF1*G07 - CF2*Z07\n G08 = CF1*G08 - CF2*Z08\n G10 = CF1*G10 - CF2*Z10\n G11 = CF1*G11 - CF2*Z11\n ENDIF\nC\nC ! original method of calculating G09 \n G09 = G06 + G08 - G11\n\nC ! slc.debug\nC ! G09 = G05 + G08 - G10\nC G12 = G01 + G08 - G11\nC\nC *** Return point ; End of subroutine\nC\n RETURN\n END\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE KMFUL1\nC *** CALCULATES BINARY ACTIVITY COEFFICIENTS BY KUSIK-MEISSNER METHOD\nC FOR AN AMMONIUM-SULFATE AEROSOL SYSTEM.\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE KMFUL1 (IONIC,TEMP,G04,G07,G08,G09)\n REAL Ionic, TEMP\n REAL G06, G08, G11\n DATA Z01,Z02,Z03,Z04,Z05,Z06,Z07,Z08,Z10,Z11\n & /1, 2, 1, 2, 1, 1, 2, 1, 1, 1/\nC\n SION = SQRT(IONIC)\nC\nC *** Coefficients at 25 oC\nC\nC CALL MKBI(2.230, IONIC, SION, Z01, G01)\nC CALL MKBI(-0.19, IONIC, SION, Z02, G02)\nC CALL MKBI(-0.39, IONIC, SION, Z03, G03)\n CALL MKBI(-0.25, IONIC, SION, Z04, G04)\nC CALL MKBI(-1.15, IONIC, SION, Z05, G05)\n CALL MKBI(0.820, IONIC, SION, Z06, G06)\n CALL MKBI(-.100, IONIC, SION, Z07, G07)\n CALL MKBI(8.000, IONIC, SION, Z08, G08)\nC CALL MKBI(2.600, IONIC, SION, Z10, G10)\n CALL MKBI(6.000, IONIC, SION, Z11, G11)\nC\nC *** Correct for T other than 298 K\nC\n TI = TEMP-273.0\n TC = TI-25.0\n IF (ABS(TC) .GT. 1.0) THEN\n CF1 = 1.125-0.005*TI\n CF2 = (0.125-0.005*TI)*(0.039*IONIC**0.92-0.41*SION/(1.+SION))\nC G01 = CF1*G01 - CF2*Z01\nC G02 = CF1*G02 - CF2*Z02\nC G03 = CF1*G03 - CF2*Z03\n G04 = CF1*G04 - CF2*Z04\nC G05 = CF1*G05 - CF2*Z05\n G06 = CF1*G06 - CF2*Z06\n G07 = CF1*G07 - CF2*Z07\n G08 = CF1*G08 - CF2*Z08\nC G10 = CF1*G10 - CF2*Z10\n G11 = CF1*G11 - CF2*Z11\n ENDIF\nC\nC ! Correction - G09 is G0(3,3), which is not calculated in CALCACT1\nC ! Use G09 from CALCACT3 to represent G09 (slc.2.2012)\n G09 = G06 + G08 - G11\n\nC G09 = G05 + G08 - G10 ! CALCULATED IN CALCACT1\nC G12 = G01 + G08 - G11\nC\nC *** Return point ; End of subroutine\nC\n RETURN\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE MKBI\nC *** CALCULATES BINARY ACTIVITY COEFFICIENTS BY KUSIK-MEISSNER METHOD. \nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE MKBI(Q,IONIC,SION,ZIP,BI)\nC\n REAL IONIC\nC\n B=.75-.065*Q\n C= 1.0\n IF (IONIC.LT.6.0) C=1.+.055*Q*EXP(-.023*IONIC*IONIC*IONIC)\n XX=-0.5107*SION/(1.+C*SION)\n BI=(1.+B*(1.+.1*IONIC)**Q-B)\n BI=ZIP*ALOG10(BI) + ZIP*XX\nC\n RETURN\n END\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE KMTAB\nC *** CALCULATES BINARY ACTIVITY COEFFICIENTS BY KUSIK-MEISSNER METHOD.\nC THE COMPUTATIONS HAVE BEEN PERFORMED AND THE RESULTS ARE STORED IN\nC LOOKUP TABLES. THE IONIC ACTIVITY 'IONIC' IS INPUT, AND THE ARRAY\nC 'BINARR' IS RETURNED WITH THE BINARY COEFFICIENTS.\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE KMTAB (IN,TEMP,G01,G02,G03,G04,G05,G06,G07,G08,G09,G10,\n & G11,G12,G15,G16,G17,G18,G19,G20,G21,G22,G23)\n REAL IN, Temp, binarray (23)\nC\nC *** Find temperature range\nC\n IND = NINT((TEMP-198.0)/25.0) + 1\n IND = MIN(MAX(IND,1),6)\nC\nC *** Call appropriate routine\nC\n IF (IND.EQ.1) THEN\n CALL KM198 (IN,binarray)\n ELSEIF (IND.EQ.2) THEN\n CALL KM223 (IN,binarray)\n ELSEIF (IND.EQ.3) THEN\n CALL KM248 (IN,binarray)\n ELSEIF (IND.EQ.4) THEN\n CALL KM273 (IN,binarray)\n ELSEIF (IND.EQ.5) THEN\n CALL KM298 (IN,binarray)\n ELSE\n CALL KM323 (IN,binarray)\n ENDIF\nC\n G01 = binarray(01)\n G02 = binarray(02)\n G03 = binarray(03)\n G04 = binarray(04)\n G05 = binarray(05)\n G06 = binarray(06)\n G07 = binarray(07)\n G08 = binarray(08)\n G09 = binarray(09)\n G10 = binarray(10)\n G11 = binarray(11)\n G12 = binarray(12)\n G13 = binarray(13)\n G14 = binarray(14)\n G15 = binarray(15)\n G16 = binarray(16)\n G17 = binarray(17)\n G18 = binarray(18)\n G19 = binarray(19)\n G20 = binarray(20)\n G21 = binarray(21)\n G22 = binarray(22)\n G23 = binarray(23)\nC\nC *** Return point; End of subroutine\nC\n RETURN\n END\n\n\nC INTEGER FUNCTION IBACPOS(IN)\nCC\nCC Compute the index in the binary activity coefficient array\nCC based on the input ionic strength.\nCC\nCC Chris Nolte, 6/16/05\nCC\nC implicit none\nC real IN\nC IF (IN .LE. 0.300000E+02) THEN\nC ibacpos = MIN(NINT( 0.200000E+02*IN) + 1, 600)\nC ELSE\nC ibacpos = 600+NINT( 0.200000E+01*IN- 0.600000E+02)\nC ENDIF\nC ibacpos = min(ibacpos, 741)\nC return\nC end\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE KM198\nC *** CALCULATES BINARY ACTIVITY COEFFICIENTS BY KUSIK-MEISSNER METHOD.\nC THE COMPUTATIONS HAVE BEEN PERFORMED AND THE RESULTS ARE STORED IN\nC LOOKUP TABLES. THE IONIC ACTIVITY 'IN' IS INPUT, AND THE ARRAY\nC 'BINARR' IS RETURNED WITH THE BINARY COEFFICIENTS.\nC\nC TEMPERATURE IS 198K\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE KM198 (IONIC, BINARR)\nC\nC *** Common block definition\nC\n COMMON /KMC198/\n &BNC01M( 561),BNC02M( 561),BNC03M( 561),BNC04M( 561),\n &BNC05M( 561),BNC06M( 561),BNC07M( 561),BNC08M( 561),\n &BNC09M( 561),BNC10M( 561),BNC11M( 561),BNC12M( 561),\n &BNC13M( 561),BNC14M( 561),BNC15M( 561),BNC16M( 561),\n &BNC17M( 561),BNC18M( 561),BNC19M( 561),BNC20M( 561),\n &BNC21M( 561),BNC22M( 561),BNC23M( 561)\n REAL Binarr (23), Ionic\nC\nC *** Find position in arrays for bincoef\nC\n IF (Ionic.LE. 0.200000E+02) THEN\n ipos = MIN(NINT( 0.200000E+02*Ionic) + 1, 400)\n ELSE\n ipos = 400+NINT( 0.200000E+01*Ionic- 0.400000E+02)\n ENDIF\n ipos = min(ipos, 561)\nC\nC *** Assign values to return array\nC\n Binarr(01) = BNC01M(ipos)\n Binarr(02) = BNC02M(ipos)\n Binarr(03) = BNC03M(ipos)\n Binarr(04) = BNC04M(ipos)\n Binarr(05) = BNC05M(ipos)\n Binarr(06) = BNC06M(ipos)\n Binarr(07) = BNC07M(ipos)\n Binarr(08) = BNC08M(ipos)\n Binarr(09) = BNC09M(ipos)\n Binarr(10) = BNC10M(ipos)\n Binarr(11) = BNC11M(ipos)\n Binarr(12) = BNC12M(ipos)\n Binarr(13) = BNC13M(ipos)\n Binarr(14) = BNC14M(ipos)\n Binarr(15) = BNC15M(ipos)\n Binarr(16) = BNC16M(ipos)\n Binarr(17) = BNC17M(ipos)\n Binarr(18) = BNC18M(ipos)\n Binarr(19) = BNC19M(ipos)\n Binarr(20) = BNC20M(ipos)\n Binarr(21) = BNC21M(ipos)\n Binarr(22) = BNC22M(ipos)\n Binarr(23) = BNC23M(ipos)\nC\nC *** Return point ; End of subroutine\nC\n RETURN\n END\n\n\n BLOCK DATA KMCF198\nC\nC *** Common block definition\nC\n COMMON /KMC198/\n &BNC01M( 561),BNC02M( 561),BNC03M( 561),BNC04M( 561),\n &BNC05M( 561),BNC06M( 561),BNC07M( 561),BNC08M( 561),\n &BNC09M( 561),BNC10M( 561),BNC11M( 561),BNC12M( 561),\n &BNC13M( 561),BNC14M( 561),BNC15M( 561),BNC16M( 561),\n &BNC17M( 561),BNC18M( 561),BNC19M( 561),BNC20M( 561),\n &BNC21M( 561),BNC22M( 561),BNC23M( 561)\n\nC\nC *** NaCl\nC\n DATA BNC01M/\n &-0.050,-0.103,-0.127,-0.142,-0.154,-0.162,-0.169,-0.174,-0.178,\n &-0.181,-0.184,-0.186,-0.188,-0.189,-0.190,-0.191,-0.191,-0.192,\n &-0.192,-0.191,-0.191,-0.191,-0.190,-0.189,-0.188,-0.188,-0.187,\n &-0.185,-0.184,-0.183,-0.182,-0.181,-0.179,-0.178,-0.176,-0.175,\n &-0.173,-0.172,-0.170,-0.169,-0.167,-0.166,-0.164,-0.162,-0.161,\n &-0.159,-0.157,-0.156,-0.154,-0.152,-0.151,-0.149,-0.147,-0.146,\n &-0.144,-0.142,-0.140,-0.139,-0.137,-0.135,-0.134,-0.132,-0.130,\n &-0.128,-0.127,-0.125,-0.123,-0.121,-0.120,-0.118,-0.116,-0.114,\n &-0.112,-0.111,-0.109,-0.107,-0.105,-0.103,-0.101,-0.099,-0.098,\n &-0.096,-0.094,-0.092,-0.090,-0.088,-0.086,-0.084,-0.082,-0.080,\n &-0.078,-0.075,-0.073,-0.071,-0.069,-0.067,-0.065,-0.063,-0.060,\n &-0.058,-0.056,-0.054,-0.051,-0.049,-0.047,-0.045,-0.042,-0.040,\n &-0.038,-0.035,-0.033,-0.031,-0.028,-0.026,-0.024,-0.021,-0.019,\n &-0.016,-0.014,-0.012,-0.009,-0.007,-0.004,-0.002, 0.000, 0.003,\n & 0.005, 0.008, 0.010, 0.012, 0.015, 0.017, 0.020, 0.022, 0.024,\n & 0.027, 0.029, 0.032, 0.034, 0.036, 0.039, 0.041, 0.044, 0.046,\n & 0.048, 0.051, 0.053, 0.055, 0.058, 0.060, 0.063, 0.065, 0.067,\n & 0.070, 0.072, 0.074, 0.077, 0.079, 0.081, 0.084, 0.086, 0.088,\n & 0.091, 0.093, 0.095, 0.098, 0.100, 0.102, 0.105, 0.107, 0.109,\n & 0.112, 0.114, 0.116, 0.118, 0.121, 0.123, 0.125, 0.127, 0.130,\n & 0.132, 0.134, 0.137, 0.139, 0.141, 0.143, 0.146, 0.148, 0.150,\n & 0.152, 0.154, 0.157, 0.159, 0.161, 0.163, 0.166, 0.168, 0.170,\n & 0.172, 0.174, 0.176, 0.179, 0.181, 0.183, 0.185, 0.187, 0.190,\n & 0.192, 0.194, 0.196, 0.198, 0.200, 0.202, 0.205, 0.207, 0.209,\n & 0.211, 0.213, 0.215, 0.217, 0.219, 0.222, 0.224, 0.226, 0.228,\n & 0.230, 0.232, 0.234, 0.236, 0.238, 0.240, 0.242, 0.244, 0.246,\n & 0.249, 0.251, 0.253, 0.255, 0.257, 0.259, 0.261, 0.263, 0.265,\n & 0.267, 0.269, 0.271, 0.273, 0.275, 0.277, 0.279, 0.281, 0.283,\n & 0.285, 0.287, 0.289, 0.291, 0.293, 0.295, 0.297, 0.299, 0.301,\n & 0.303, 0.304, 0.306, 0.308, 0.310, 0.312, 0.314, 0.316, 0.318,\n & 0.320, 0.322, 0.324, 0.326, 0.328, 0.329, 0.331, 0.333, 0.335,\n & 0.337, 0.339, 0.341, 0.343, 0.344, 0.346, 0.348, 0.350, 0.352,\n & 0.354, 0.356, 0.357, 0.359, 0.361, 0.363, 0.365, 0.367, 0.368,\n & 0.370, 0.372, 0.374, 0.376, 0.377, 0.379, 0.381, 0.383, 0.385,\n & 0.386, 0.388, 0.390, 0.392, 0.393, 0.395, 0.397, 0.399, 0.401,\n & 0.402, 0.404, 0.406, 0.408, 0.409, 0.411, 0.413, 0.414, 0.416,\n & 0.418, 0.420, 0.421, 0.423, 0.425, 0.426, 0.428, 0.430, 0.432,\n & 0.433, 0.435, 0.437, 0.438, 0.440, 0.442, 0.443, 0.445, 0.447,\n & 0.448, 0.450, 0.452, 0.453, 0.455, 0.457, 0.458, 0.460, 0.461,\n & 0.463, 0.465, 0.466, 0.468, 0.470, 0.471, 0.473, 0.474, 0.476,\n & 0.478, 0.479, 0.481, 0.482, 0.484, 0.486, 0.487, 0.489, 0.490,\n & 0.492, 0.493, 0.495, 0.497, 0.498, 0.500, 0.501, 0.503, 0.504,\n & 0.506, 0.508, 0.509, 0.511, 0.512, 0.514, 0.515, 0.517, 0.518,\n & 0.520, 0.521, 0.523, 0.524, 0.526, 0.527, 0.529, 0.530, 0.532,\n & 0.533, 0.535, 0.536, 0.538, 0.554, 0.568, 0.582, 0.596, 0.610,\n & 0.623, 0.636, 0.649, 0.661, 0.674, 0.686, 0.698, 0.709, 0.721,\n & 0.732, 0.743, 0.754, 0.765, 0.775, 0.786, 0.796, 0.806, 0.815,\n & 0.825, 0.834, 0.844, 0.853, 0.862, 0.870, 0.879, 0.887, 0.896,\n & 0.904, 0.912, 0.920, 0.928, 0.935, 0.943, 0.950, 0.957, 0.964,\n & 0.971, 0.978, 0.985, 0.992, 0.998, 1.005, 1.011, 1.017, 1.023,\n & 1.029, 1.035, 1.041, 1.047, 1.052, 1.058, 1.063, 1.068, 1.074,\n & 1.079, 1.084, 1.089, 1.094, 1.099, 1.103, 1.108, 1.112, 1.117,\n & 1.121, 1.126, 1.130, 1.134, 1.138, 1.142, 1.146, 1.150, 1.154,\n & 1.158, 1.161, 1.165, 1.169, 1.172, 1.175, 1.179, 1.182, 1.185,\n & 1.189, 1.192, 1.195, 1.198, 1.201, 1.204, 1.206, 1.209, 1.212,\n & 1.215, 1.217, 1.220, 1.222, 1.225, 1.227, 1.230, 1.232, 1.234,\n & 1.236, 1.239, 1.241, 1.243, 1.245, 1.247, 1.249, 1.251, 1.253,\n & 1.254, 1.256, 1.258, 1.260, 1.261, 1.263, 1.264, 1.266, 1.267,\n & 1.269, 1.270, 1.272, 1.273, 1.274, 1.276, 1.277, 1.278, 1.279,\n & 1.280, 1.281, 1.283, 1.284, 1.285, 1.286, 1.286, 1.287, 1.288,\n & 1.289, 1.290, 1.291, 1.291, 1.292, 1.293, 1.293, 1.294, 1.295,\n & 1.295, 1.296, 1.296, 1.297, 1.297, 1.297, 1.298, 1.298, 1.298,\n & 1.299, 1.299, 1.299\n & /\nC\nC *** Na2SO4\nC\n DATA BNC02M/\n &-0.103,-0.225,-0.288,-0.332,-0.367,-0.397,-0.422,-0.445,-0.465,\n &-0.484,-0.501,-0.516,-0.531,-0.545,-0.558,-0.570,-0.582,-0.593,\n &-0.604,-0.614,-0.624,-0.633,-0.643,-0.651,-0.660,-0.668,-0.676,\n &-0.684,-0.692,-0.699,-0.707,-0.714,-0.721,-0.727,-0.734,-0.741,\n &-0.747,-0.753,-0.759,-0.765,-0.771,-0.777,-0.783,-0.788,-0.794,\n &-0.799,-0.804,-0.810,-0.815,-0.820,-0.825,-0.830,-0.835,-0.840,\n &-0.845,-0.849,-0.854,-0.859,-0.863,-0.868,-0.872,-0.877,-0.881,\n &-0.885,-0.889,-0.894,-0.898,-0.902,-0.906,-0.910,-0.914,-0.918,\n &-0.922,-0.926,-0.930,-0.934,-0.938,-0.942,-0.946,-0.949,-0.953,\n &-0.957,-0.961,-0.964,-0.968,-0.971,-0.975,-0.979,-0.982,-0.986,\n &-0.989,-0.993,-0.996,-1.000,-1.003,-1.007,-1.010,-1.014,-1.017,\n &-1.020,-1.024,-1.027,-1.030,-1.034,-1.037,-1.040,-1.044,-1.047,\n &-1.050,-1.053,-1.057,-1.060,-1.063,-1.066,-1.069,-1.072,-1.076,\n &-1.079,-1.082,-1.085,-1.088,-1.091,-1.094,-1.097,-1.100,-1.103,\n &-1.106,-1.109,-1.112,-1.115,-1.118,-1.121,-1.124,-1.127,-1.130,\n &-1.133,-1.136,-1.139,-1.142,-1.145,-1.147,-1.150,-1.153,-1.156,\n &-1.159,-1.162,-1.165,-1.167,-1.170,-1.173,-1.176,-1.179,-1.181,\n &-1.184,-1.187,-1.190,-1.192,-1.195,-1.198,-1.200,-1.203,-1.206,\n &-1.209,-1.211,-1.214,-1.217,-1.219,-1.222,-1.225,-1.227,-1.230,\n &-1.232,-1.235,-1.238,-1.240,-1.243,-1.246,-1.248,-1.251,-1.253,\n &-1.256,-1.258,-1.261,-1.264,-1.266,-1.269,-1.271,-1.274,-1.276,\n &-1.279,-1.281,-1.284,-1.286,-1.289,-1.291,-1.294,-1.296,-1.299,\n &-1.301,-1.304,-1.306,-1.309,-1.311,-1.313,-1.316,-1.318,-1.321,\n &-1.323,-1.326,-1.328,-1.330,-1.333,-1.335,-1.338,-1.340,-1.342,\n &-1.345,-1.347,-1.350,-1.352,-1.354,-1.357,-1.359,-1.361,-1.364,\n &-1.366,-1.368,-1.371,-1.373,-1.375,-1.378,-1.380,-1.382,-1.385,\n &-1.387,-1.389,-1.392,-1.394,-1.396,-1.399,-1.401,-1.403,-1.405,\n &-1.408,-1.410,-1.412,-1.415,-1.417,-1.419,-1.421,-1.424,-1.426,\n &-1.428,-1.430,-1.433,-1.435,-1.437,-1.439,-1.442,-1.444,-1.446,\n &-1.448,-1.450,-1.453,-1.455,-1.457,-1.459,-1.461,-1.464,-1.466,\n &-1.468,-1.470,-1.472,-1.475,-1.477,-1.479,-1.481,-1.483,-1.485,\n &-1.488,-1.490,-1.492,-1.494,-1.496,-1.498,-1.501,-1.503,-1.505,\n &-1.507,-1.509,-1.511,-1.513,-1.516,-1.518,-1.520,-1.522,-1.524,\n &-1.526,-1.528,-1.530,-1.533,-1.535,-1.537,-1.539,-1.541,-1.543,\n &-1.545,-1.547,-1.549,-1.551,-1.554,-1.556,-1.558,-1.560,-1.562,\n &-1.564,-1.566,-1.568,-1.570,-1.572,-1.574,-1.576,-1.578,-1.580,\n &-1.583,-1.585,-1.587,-1.589,-1.591,-1.593,-1.595,-1.597,-1.599,\n &-1.601,-1.603,-1.605,-1.607,-1.609,-1.611,-1.613,-1.615,-1.617,\n &-1.619,-1.621,-1.623,-1.625,-1.627,-1.629,-1.631,-1.633,-1.635,\n &-1.637,-1.639,-1.641,-1.643,-1.645,-1.647,-1.649,-1.651,-1.653,\n &-1.655,-1.657,-1.659,-1.661,-1.663,-1.665,-1.667,-1.669,-1.671,\n &-1.673,-1.675,-1.677,-1.679,-1.681,-1.683,-1.685,-1.687,-1.689,\n &-1.691,-1.693,-1.695,-1.696,-1.698,-1.700,-1.702,-1.704,-1.706,\n &-1.708,-1.710,-1.712,-1.714,-1.716,-1.718,-1.720,-1.722,-1.724,\n &-1.726,-1.727,-1.729,-1.731,-1.752,-1.771,-1.790,-1.808,-1.827,\n &-1.845,-1.864,-1.882,-1.900,-1.918,-1.936,-1.954,-1.972,-1.989,\n &-2.007,-2.024,-2.042,-2.059,-2.076,-2.093,-2.110,-2.127,-2.144,\n &-2.161,-2.178,-2.194,-2.211,-2.228,-2.244,-2.261,-2.277,-2.293,\n &-2.310,-2.326,-2.342,-2.358,-2.374,-2.390,-2.406,-2.422,-2.438,\n &-2.454,-2.470,-2.486,-2.501,-2.517,-2.533,-2.548,-2.564,-2.579,\n &-2.595,-2.610,-2.626,-2.641,-2.657,-2.672,-2.687,-2.702,-2.718,\n &-2.733,-2.748,-2.763,-2.778,-2.793,-2.808,-2.823,-2.838,-2.853,\n &-2.868,-2.883,-2.898,-2.913,-2.927,-2.942,-2.957,-2.972,-2.986,\n &-3.001,-3.016,-3.030,-3.045,-3.059,-3.074,-3.089,-3.103,-3.118,\n &-3.132,-3.147,-3.161,-3.175,-3.190,-3.204,-3.219,-3.233,-3.247,\n &-3.261,-3.276,-3.290,-3.304,-3.318,-3.333,-3.347,-3.361,-3.375,\n &-3.389,-3.403,-3.417,-3.432,-3.446,-3.460,-3.474,-3.488,-3.502,\n &-3.516,-3.530,-3.544,-3.558,-3.571,-3.585,-3.599,-3.613,-3.627,\n &-3.641,-3.655,-3.669,-3.682,-3.696,-3.710,-3.724,-3.737,-3.751,\n &-3.765,-3.779,-3.792,-3.806,-3.820,-3.833,-3.847,-3.861,-3.874,\n &-3.888,-3.901,-3.915,-3.929,-3.942,-3.956,-3.969,-3.983,-3.996,\n &-4.010,-4.023,-4.037,-4.050,-4.064,-4.077,-4.091,-4.104,-4.118,\n &-4.131,-4.144,-4.158\n & /\nC\nC *** NaNO3\nC\n DATA BNC03M/\n &-0.052,-0.114,-0.145,-0.168,-0.187,-0.202,-0.215,-0.227,-0.238,\n &-0.248,-0.257,-0.265,-0.273,-0.281,-0.288,-0.294,-0.301,-0.307,\n &-0.313,-0.318,-0.324,-0.329,-0.334,-0.339,-0.344,-0.349,-0.353,\n &-0.357,-0.362,-0.366,-0.370,-0.374,-0.378,-0.382,-0.386,-0.389,\n &-0.393,-0.396,-0.400,-0.403,-0.407,-0.410,-0.413,-0.416,-0.419,\n &-0.423,-0.426,-0.429,-0.432,-0.435,-0.437,-0.440,-0.443,-0.446,\n &-0.449,-0.451,-0.454,-0.457,-0.459,-0.462,-0.464,-0.467,-0.469,\n &-0.472,-0.474,-0.477,-0.479,-0.482,-0.484,-0.486,-0.489,-0.491,\n &-0.493,-0.496,-0.498,-0.500,-0.502,-0.505,-0.507,-0.509,-0.511,\n &-0.513,-0.516,-0.518,-0.520,-0.522,-0.524,-0.526,-0.528,-0.530,\n &-0.532,-0.534,-0.537,-0.539,-0.541,-0.543,-0.545,-0.547,-0.549,\n &-0.551,-0.553,-0.555,-0.557,-0.559,-0.561,-0.562,-0.564,-0.566,\n &-0.568,-0.570,-0.572,-0.574,-0.576,-0.578,-0.580,-0.582,-0.583,\n &-0.585,-0.587,-0.589,-0.591,-0.593,-0.594,-0.596,-0.598,-0.600,\n &-0.602,-0.604,-0.605,-0.607,-0.609,-0.611,-0.612,-0.614,-0.616,\n &-0.618,-0.619,-0.621,-0.623,-0.625,-0.626,-0.628,-0.630,-0.631,\n &-0.633,-0.635,-0.637,-0.638,-0.640,-0.642,-0.643,-0.645,-0.647,\n &-0.648,-0.650,-0.651,-0.653,-0.655,-0.656,-0.658,-0.660,-0.661,\n &-0.663,-0.664,-0.666,-0.668,-0.669,-0.671,-0.672,-0.674,-0.676,\n &-0.677,-0.679,-0.680,-0.682,-0.683,-0.685,-0.686,-0.688,-0.689,\n &-0.691,-0.693,-0.694,-0.696,-0.697,-0.699,-0.700,-0.702,-0.703,\n &-0.705,-0.706,-0.708,-0.709,-0.711,-0.712,-0.714,-0.715,-0.717,\n &-0.718,-0.719,-0.721,-0.722,-0.724,-0.725,-0.727,-0.728,-0.730,\n &-0.731,-0.733,-0.734,-0.735,-0.737,-0.738,-0.740,-0.741,-0.743,\n &-0.744,-0.745,-0.747,-0.748,-0.750,-0.751,-0.752,-0.754,-0.755,\n &-0.757,-0.758,-0.759,-0.761,-0.762,-0.763,-0.765,-0.766,-0.768,\n &-0.769,-0.770,-0.772,-0.773,-0.774,-0.776,-0.777,-0.778,-0.780,\n &-0.781,-0.782,-0.784,-0.785,-0.787,-0.788,-0.789,-0.791,-0.792,\n &-0.793,-0.794,-0.796,-0.797,-0.798,-0.800,-0.801,-0.802,-0.804,\n &-0.805,-0.806,-0.808,-0.809,-0.810,-0.812,-0.813,-0.814,-0.815,\n &-0.817,-0.818,-0.819,-0.821,-0.822,-0.823,-0.824,-0.826,-0.827,\n &-0.828,-0.829,-0.831,-0.832,-0.833,-0.835,-0.836,-0.837,-0.838,\n &-0.840,-0.841,-0.842,-0.843,-0.845,-0.846,-0.847,-0.848,-0.850,\n &-0.851,-0.852,-0.853,-0.854,-0.856,-0.857,-0.858,-0.859,-0.861,\n &-0.862,-0.863,-0.864,-0.866,-0.867,-0.868,-0.869,-0.870,-0.872,\n &-0.873,-0.874,-0.875,-0.876,-0.878,-0.879,-0.880,-0.881,-0.882,\n &-0.884,-0.885,-0.886,-0.887,-0.888,-0.890,-0.891,-0.892,-0.893,\n &-0.894,-0.896,-0.897,-0.898,-0.899,-0.900,-0.901,-0.903,-0.904,\n &-0.905,-0.906,-0.907,-0.908,-0.910,-0.911,-0.912,-0.913,-0.914,\n &-0.915,-0.917,-0.918,-0.919,-0.920,-0.921,-0.922,-0.924,-0.925,\n &-0.926,-0.927,-0.928,-0.929,-0.930,-0.932,-0.933,-0.934,-0.935,\n &-0.936,-0.937,-0.938,-0.940,-0.941,-0.942,-0.943,-0.944,-0.945,\n &-0.946,-0.947,-0.949,-0.950,-0.951,-0.952,-0.953,-0.954,-0.955,\n &-0.956,-0.958,-0.959,-0.960,-0.961,-0.962,-0.963,-0.964,-0.965,\n &-0.966,-0.968,-0.969,-0.970,-0.982,-0.992,-1.003,-1.014,-1.025,\n &-1.035,-1.046,-1.056,-1.066,-1.076,-1.087,-1.097,-1.107,-1.117,\n &-1.126,-1.136,-1.146,-1.156,-1.165,-1.175,-1.185,-1.194,-1.203,\n &-1.213,-1.222,-1.231,-1.241,-1.250,-1.259,-1.268,-1.277,-1.286,\n &-1.295,-1.304,-1.313,-1.322,-1.331,-1.340,-1.349,-1.357,-1.366,\n &-1.375,-1.383,-1.392,-1.401,-1.409,-1.418,-1.426,-1.435,-1.443,\n &-1.452,-1.460,-1.468,-1.477,-1.485,-1.493,-1.502,-1.510,-1.518,\n &-1.526,-1.535,-1.543,-1.551,-1.559,-1.567,-1.575,-1.583,-1.591,\n &-1.599,-1.607,-1.615,-1.623,-1.631,-1.639,-1.647,-1.655,-1.663,\n &-1.671,-1.679,-1.686,-1.694,-1.702,-1.710,-1.718,-1.725,-1.733,\n &-1.741,-1.749,-1.756,-1.764,-1.772,-1.779,-1.787,-1.794,-1.802,\n &-1.810,-1.817,-1.825,-1.832,-1.840,-1.847,-1.855,-1.862,-1.870,\n &-1.877,-1.885,-1.892,-1.900,-1.907,-1.915,-1.922,-1.929,-1.937,\n &-1.944,-1.952,-1.959,-1.966,-1.974,-1.981,-1.988,-1.996,-2.003,\n &-2.010,-2.018,-2.025,-2.032,-2.039,-2.047,-2.054,-2.061,-2.068,\n &-2.075,-2.083,-2.090,-2.097,-2.104,-2.111,-2.118,-2.126,-2.133,\n &-2.140,-2.147,-2.154,-2.161,-2.168,-2.175,-2.183,-2.190,-2.197,\n &-2.204,-2.211,-2.218,-2.225,-2.232,-2.239,-2.246,-2.253,-2.260,\n &-2.267,-2.274,-2.281\n & /\nC\nC *** (NH4)2SO4\nC\n DATA BNC04M/\n &-0.103,-0.226,-0.289,-0.334,-0.369,-0.399,-0.425,-0.448,-0.468,\n &-0.487,-0.505,-0.521,-0.536,-0.550,-0.563,-0.576,-0.588,-0.599,\n &-0.610,-0.621,-0.631,-0.641,-0.650,-0.659,-0.668,-0.677,-0.685,\n &-0.693,-0.701,-0.709,-0.717,-0.724,-0.731,-0.738,-0.745,-0.752,\n &-0.758,-0.765,-0.771,-0.777,-0.784,-0.790,-0.796,-0.801,-0.807,\n &-0.813,-0.818,-0.824,-0.829,-0.835,-0.840,-0.845,-0.850,-0.855,\n &-0.860,-0.865,-0.870,-0.875,-0.880,-0.884,-0.889,-0.894,-0.898,\n &-0.903,-0.907,-0.912,-0.916,-0.920,-0.925,-0.929,-0.933,-0.937,\n &-0.942,-0.946,-0.950,-0.954,-0.958,-0.962,-0.966,-0.970,-0.974,\n &-0.978,-0.982,-0.985,-0.989,-0.993,-0.997,-1.001,-1.004,-1.008,\n &-1.012,-1.016,-1.019,-1.023,-1.027,-1.030,-1.034,-1.037,-1.041,\n &-1.045,-1.048,-1.052,-1.055,-1.059,-1.062,-1.066,-1.069,-1.072,\n &-1.076,-1.079,-1.083,-1.086,-1.089,-1.093,-1.096,-1.099,-1.103,\n &-1.106,-1.109,-1.113,-1.116,-1.119,-1.122,-1.126,-1.129,-1.132,\n &-1.135,-1.138,-1.142,-1.145,-1.148,-1.151,-1.154,-1.157,-1.160,\n &-1.164,-1.167,-1.170,-1.173,-1.176,-1.179,-1.182,-1.185,-1.188,\n &-1.191,-1.194,-1.197,-1.200,-1.203,-1.206,-1.209,-1.212,-1.215,\n &-1.218,-1.221,-1.223,-1.226,-1.229,-1.232,-1.235,-1.238,-1.241,\n &-1.244,-1.246,-1.249,-1.252,-1.255,-1.258,-1.261,-1.263,-1.266,\n &-1.269,-1.272,-1.274,-1.277,-1.280,-1.283,-1.285,-1.288,-1.291,\n &-1.294,-1.296,-1.299,-1.302,-1.304,-1.307,-1.310,-1.313,-1.315,\n &-1.318,-1.321,-1.323,-1.326,-1.328,-1.331,-1.334,-1.336,-1.339,\n &-1.342,-1.344,-1.347,-1.349,-1.352,-1.355,-1.357,-1.360,-1.362,\n &-1.365,-1.367,-1.370,-1.373,-1.375,-1.378,-1.380,-1.383,-1.385,\n &-1.388,-1.390,-1.393,-1.395,-1.398,-1.400,-1.403,-1.405,-1.408,\n &-1.410,-1.413,-1.415,-1.418,-1.420,-1.423,-1.425,-1.427,-1.430,\n &-1.432,-1.435,-1.437,-1.440,-1.442,-1.445,-1.447,-1.449,-1.452,\n &-1.454,-1.457,-1.459,-1.461,-1.464,-1.466,-1.469,-1.471,-1.473,\n &-1.476,-1.478,-1.480,-1.483,-1.485,-1.487,-1.490,-1.492,-1.495,\n &-1.497,-1.499,-1.502,-1.504,-1.506,-1.509,-1.511,-1.513,-1.515,\n &-1.518,-1.520,-1.522,-1.525,-1.527,-1.529,-1.532,-1.534,-1.536,\n &-1.538,-1.541,-1.543,-1.545,-1.548,-1.550,-1.552,-1.554,-1.557,\n &-1.559,-1.561,-1.563,-1.566,-1.568,-1.570,-1.572,-1.575,-1.577,\n &-1.579,-1.581,-1.583,-1.586,-1.588,-1.590,-1.592,-1.595,-1.597,\n &-1.599,-1.601,-1.603,-1.606,-1.608,-1.610,-1.612,-1.614,-1.616,\n &-1.619,-1.621,-1.623,-1.625,-1.627,-1.630,-1.632,-1.634,-1.636,\n &-1.638,-1.640,-1.642,-1.645,-1.647,-1.649,-1.651,-1.653,-1.655,\n &-1.658,-1.660,-1.662,-1.664,-1.666,-1.668,-1.670,-1.672,-1.675,\n &-1.677,-1.679,-1.681,-1.683,-1.685,-1.687,-1.689,-1.691,-1.694,\n &-1.696,-1.698,-1.700,-1.702,-1.704,-1.706,-1.708,-1.710,-1.712,\n &-1.714,-1.717,-1.719,-1.721,-1.723,-1.725,-1.727,-1.729,-1.731,\n &-1.733,-1.735,-1.737,-1.739,-1.741,-1.743,-1.745,-1.748,-1.750,\n &-1.752,-1.754,-1.756,-1.758,-1.760,-1.762,-1.764,-1.766,-1.768,\n &-1.770,-1.772,-1.774,-1.776,-1.778,-1.780,-1.782,-1.784,-1.786,\n &-1.788,-1.790,-1.792,-1.794,-1.816,-1.836,-1.855,-1.875,-1.894,\n &-1.914,-1.933,-1.952,-1.971,-1.989,-2.008,-2.027,-2.045,-2.063,\n &-2.082,-2.100,-2.118,-2.136,-2.154,-2.171,-2.189,-2.207,-2.224,\n &-2.242,-2.259,-2.276,-2.293,-2.311,-2.328,-2.345,-2.362,-2.379,\n &-2.395,-2.412,-2.429,-2.446,-2.462,-2.479,-2.495,-2.512,-2.528,\n &-2.544,-2.561,-2.577,-2.593,-2.609,-2.625,-2.642,-2.658,-2.674,\n &-2.689,-2.705,-2.721,-2.737,-2.753,-2.768,-2.784,-2.800,-2.815,\n &-2.831,-2.847,-2.862,-2.878,-2.893,-2.908,-2.924,-2.939,-2.954,\n &-2.970,-2.985,-3.000,-3.015,-3.031,-3.046,-3.061,-3.076,-3.091,\n &-3.106,-3.121,-3.136,-3.151,-3.166,-3.181,-3.196,-3.210,-3.225,\n &-3.240,-3.255,-3.270,-3.284,-3.299,-3.314,-3.328,-3.343,-3.358,\n &-3.372,-3.387,-3.401,-3.416,-3.430,-3.445,-3.459,-3.474,-3.488,\n &-3.503,-3.517,-3.531,-3.546,-3.560,-3.574,-3.589,-3.603,-3.617,\n &-3.631,-3.646,-3.660,-3.674,-3.688,-3.702,-3.717,-3.731,-3.745,\n &-3.759,-3.773,-3.787,-3.801,-3.815,-3.829,-3.843,-3.857,-3.871,\n &-3.885,-3.899,-3.913,-3.927,-3.941,-3.955,-3.969,-3.982,-3.996,\n &-4.010,-4.024,-4.038,-4.051,-4.065,-4.079,-4.093,-4.107,-4.120,\n &-4.134,-4.148,-4.161,-4.175,-4.189,-4.202,-4.216,-4.230,-4.243,\n &-4.257,-4.271,-4.284\n & /\nC\nC *** NH4NO3\nC\n DATA BNC05M/\n &-0.052,-0.117,-0.152,-0.178,-0.199,-0.217,-0.232,-0.247,-0.260,\n &-0.272,-0.283,-0.294,-0.304,-0.314,-0.323,-0.332,-0.341,-0.349,\n &-0.357,-0.365,-0.372,-0.379,-0.386,-0.393,-0.400,-0.407,-0.413,\n &-0.419,-0.426,-0.432,-0.437,-0.443,-0.449,-0.455,-0.460,-0.466,\n &-0.471,-0.476,-0.481,-0.486,-0.491,-0.496,-0.501,-0.506,-0.511,\n &-0.515,-0.520,-0.524,-0.529,-0.533,-0.537,-0.542,-0.546,-0.550,\n &-0.554,-0.558,-0.563,-0.567,-0.570,-0.574,-0.578,-0.582,-0.586,\n &-0.590,-0.593,-0.597,-0.601,-0.604,-0.608,-0.612,-0.615,-0.619,\n &-0.622,-0.626,-0.629,-0.633,-0.636,-0.640,-0.643,-0.646,-0.650,\n &-0.653,-0.656,-0.660,-0.663,-0.666,-0.670,-0.673,-0.676,-0.679,\n &-0.683,-0.686,-0.689,-0.692,-0.696,-0.699,-0.702,-0.705,-0.708,\n &-0.711,-0.715,-0.718,-0.721,-0.724,-0.727,-0.730,-0.733,-0.736,\n &-0.739,-0.742,-0.746,-0.749,-0.752,-0.755,-0.758,-0.761,-0.764,\n &-0.767,-0.770,-0.773,-0.776,-0.778,-0.781,-0.784,-0.787,-0.790,\n &-0.793,-0.796,-0.799,-0.802,-0.805,-0.807,-0.810,-0.813,-0.816,\n &-0.819,-0.821,-0.824,-0.827,-0.830,-0.833,-0.835,-0.838,-0.841,\n &-0.843,-0.846,-0.849,-0.852,-0.854,-0.857,-0.860,-0.862,-0.865,\n &-0.867,-0.870,-0.873,-0.875,-0.878,-0.880,-0.883,-0.886,-0.888,\n &-0.891,-0.893,-0.896,-0.898,-0.901,-0.903,-0.906,-0.908,-0.911,\n &-0.913,-0.916,-0.918,-0.921,-0.923,-0.926,-0.928,-0.930,-0.933,\n &-0.935,-0.938,-0.940,-0.942,-0.945,-0.947,-0.950,-0.952,-0.954,\n &-0.957,-0.959,-0.961,-0.964,-0.966,-0.968,-0.971,-0.973,-0.975,\n &-0.977,-0.980,-0.982,-0.984,-0.987,-0.989,-0.991,-0.993,-0.996,\n &-0.998,-1.000,-1.002,-1.004,-1.007,-1.009,-1.011,-1.013,-1.015,\n &-1.018,-1.020,-1.022,-1.024,-1.026,-1.028,-1.031,-1.033,-1.035,\n &-1.037,-1.039,-1.041,-1.043,-1.046,-1.048,-1.050,-1.052,-1.054,\n &-1.056,-1.058,-1.060,-1.062,-1.064,-1.066,-1.068,-1.070,-1.072,\n &-1.075,-1.077,-1.079,-1.081,-1.083,-1.085,-1.087,-1.089,-1.091,\n &-1.093,-1.095,-1.097,-1.099,-1.101,-1.103,-1.105,-1.107,-1.109,\n &-1.110,-1.112,-1.114,-1.116,-1.118,-1.120,-1.122,-1.124,-1.126,\n &-1.128,-1.130,-1.132,-1.134,-1.136,-1.137,-1.139,-1.141,-1.143,\n &-1.145,-1.147,-1.149,-1.151,-1.153,-1.154,-1.156,-1.158,-1.160,\n &-1.162,-1.164,-1.166,-1.167,-1.169,-1.171,-1.173,-1.175,-1.176,\n &-1.178,-1.180,-1.182,-1.184,-1.186,-1.187,-1.189,-1.191,-1.193,\n &-1.195,-1.196,-1.198,-1.200,-1.202,-1.203,-1.205,-1.207,-1.209,\n &-1.210,-1.212,-1.214,-1.216,-1.217,-1.219,-1.221,-1.223,-1.224,\n &-1.226,-1.228,-1.230,-1.231,-1.233,-1.235,-1.236,-1.238,-1.240,\n &-1.241,-1.243,-1.245,-1.247,-1.248,-1.250,-1.252,-1.253,-1.255,\n &-1.257,-1.258,-1.260,-1.262,-1.263,-1.265,-1.267,-1.268,-1.270,\n &-1.272,-1.273,-1.275,-1.276,-1.278,-1.280,-1.281,-1.283,-1.285,\n &-1.286,-1.288,-1.289,-1.291,-1.293,-1.294,-1.296,-1.298,-1.299,\n &-1.301,-1.302,-1.304,-1.306,-1.307,-1.309,-1.310,-1.312,-1.313,\n &-1.315,-1.317,-1.318,-1.320,-1.321,-1.323,-1.324,-1.326,-1.328,\n &-1.329,-1.331,-1.332,-1.334,-1.335,-1.337,-1.338,-1.340,-1.341,\n &-1.343,-1.345,-1.346,-1.348,-1.364,-1.379,-1.394,-1.408,-1.422,\n &-1.436,-1.450,-1.464,-1.478,-1.491,-1.504,-1.518,-1.531,-1.543,\n &-1.556,-1.569,-1.581,-1.593,-1.606,-1.618,-1.630,-1.641,-1.653,\n &-1.665,-1.676,-1.688,-1.699,-1.710,-1.722,-1.733,-1.744,-1.755,\n &-1.765,-1.776,-1.787,-1.797,-1.808,-1.818,-1.829,-1.839,-1.849,\n &-1.859,-1.870,-1.880,-1.890,-1.900,-1.909,-1.919,-1.929,-1.939,\n &-1.948,-1.958,-1.968,-1.977,-1.986,-1.996,-2.005,-2.015,-2.024,\n &-2.033,-2.042,-2.051,-2.060,-2.070,-2.079,-2.088,-2.096,-2.105,\n &-2.114,-2.123,-2.132,-2.141,-2.149,-2.158,-2.167,-2.175,-2.184,\n &-2.193,-2.201,-2.210,-2.218,-2.226,-2.235,-2.243,-2.252,-2.260,\n &-2.268,-2.277,-2.285,-2.293,-2.301,-2.309,-2.318,-2.326,-2.334,\n &-2.342,-2.350,-2.358,-2.366,-2.374,-2.382,-2.390,-2.398,-2.406,\n &-2.414,-2.422,-2.429,-2.437,-2.445,-2.453,-2.461,-2.468,-2.476,\n &-2.484,-2.492,-2.499,-2.507,-2.515,-2.522,-2.530,-2.537,-2.545,\n &-2.553,-2.560,-2.568,-2.575,-2.583,-2.590,-2.598,-2.605,-2.613,\n &-2.620,-2.628,-2.635,-2.642,-2.650,-2.657,-2.664,-2.672,-2.679,\n &-2.686,-2.694,-2.701,-2.708,-2.716,-2.723,-2.730,-2.737,-2.745,\n &-2.752,-2.759,-2.766,-2.773,-2.781,-2.788,-2.795,-2.802,-2.809,\n &-2.816,-2.823,-2.831\n & /\nC\nC *** NH4Cl\nC\n DATA BNC06M/\n &-0.051,-0.108,-0.136,-0.155,-0.170,-0.182,-0.192,-0.200,-0.207,\n &-0.214,-0.220,-0.225,-0.230,-0.234,-0.238,-0.242,-0.245,-0.248,\n &-0.251,-0.254,-0.256,-0.259,-0.261,-0.263,-0.265,-0.267,-0.269,\n &-0.270,-0.272,-0.274,-0.275,-0.276,-0.278,-0.279,-0.280,-0.281,\n &-0.283,-0.284,-0.285,-0.286,-0.287,-0.288,-0.289,-0.289,-0.290,\n &-0.291,-0.292,-0.293,-0.293,-0.294,-0.295,-0.296,-0.296,-0.297,\n &-0.298,-0.298,-0.299,-0.300,-0.300,-0.301,-0.301,-0.302,-0.302,\n &-0.303,-0.303,-0.304,-0.304,-0.305,-0.305,-0.306,-0.306,-0.307,\n &-0.307,-0.308,-0.308,-0.308,-0.309,-0.309,-0.309,-0.310,-0.310,\n &-0.310,-0.311,-0.311,-0.311,-0.312,-0.312,-0.312,-0.312,-0.313,\n &-0.313,-0.313,-0.313,-0.313,-0.314,-0.314,-0.314,-0.314,-0.314,\n &-0.314,-0.314,-0.314,-0.315,-0.315,-0.315,-0.315,-0.315,-0.315,\n &-0.315,-0.315,-0.315,-0.315,-0.315,-0.315,-0.315,-0.315,-0.315,\n &-0.315,-0.315,-0.315,-0.315,-0.315,-0.315,-0.315,-0.315,-0.315,\n &-0.315,-0.315,-0.315,-0.315,-0.315,-0.315,-0.315,-0.315,-0.315,\n &-0.315,-0.314,-0.314,-0.314,-0.314,-0.314,-0.314,-0.314,-0.314,\n &-0.314,-0.314,-0.314,-0.314,-0.314,-0.314,-0.314,-0.314,-0.313,\n &-0.313,-0.313,-0.313,-0.313,-0.313,-0.313,-0.313,-0.313,-0.313,\n &-0.313,-0.313,-0.313,-0.313,-0.312,-0.312,-0.312,-0.312,-0.312,\n &-0.312,-0.312,-0.312,-0.312,-0.312,-0.312,-0.312,-0.312,-0.312,\n &-0.311,-0.311,-0.311,-0.311,-0.311,-0.311,-0.311,-0.311,-0.311,\n &-0.311,-0.311,-0.311,-0.311,-0.311,-0.310,-0.310,-0.310,-0.310,\n &-0.310,-0.310,-0.310,-0.310,-0.310,-0.310,-0.310,-0.310,-0.310,\n &-0.310,-0.309,-0.309,-0.309,-0.309,-0.309,-0.309,-0.309,-0.309,\n &-0.309,-0.309,-0.309,-0.309,-0.309,-0.309,-0.309,-0.309,-0.308,\n &-0.308,-0.308,-0.308,-0.308,-0.308,-0.308,-0.308,-0.308,-0.308,\n &-0.308,-0.308,-0.308,-0.308,-0.308,-0.308,-0.308,-0.308,-0.307,\n &-0.307,-0.307,-0.307,-0.307,-0.307,-0.307,-0.307,-0.307,-0.307,\n &-0.307,-0.307,-0.307,-0.307,-0.307,-0.307,-0.307,-0.307,-0.307,\n &-0.307,-0.307,-0.307,-0.307,-0.307,-0.307,-0.306,-0.306,-0.306,\n &-0.306,-0.306,-0.306,-0.306,-0.306,-0.306,-0.306,-0.306,-0.306,\n &-0.306,-0.306,-0.306,-0.306,-0.306,-0.306,-0.306,-0.306,-0.306,\n &-0.306,-0.306,-0.306,-0.306,-0.306,-0.306,-0.306,-0.306,-0.306,\n &-0.306,-0.306,-0.306,-0.306,-0.306,-0.306,-0.306,-0.306,-0.306,\n &-0.306,-0.306,-0.306,-0.306,-0.306,-0.306,-0.306,-0.306,-0.306,\n &-0.306,-0.306,-0.306,-0.306,-0.306,-0.306,-0.306,-0.306,-0.306,\n &-0.306,-0.306,-0.306,-0.306,-0.306,-0.306,-0.306,-0.306,-0.306,\n &-0.306,-0.306,-0.306,-0.306,-0.306,-0.306,-0.306,-0.306,-0.306,\n &-0.306,-0.306,-0.306,-0.306,-0.306,-0.306,-0.306,-0.306,-0.306,\n &-0.306,-0.306,-0.306,-0.306,-0.306,-0.306,-0.306,-0.306,-0.306,\n &-0.306,-0.306,-0.306,-0.306,-0.306,-0.306,-0.306,-0.306,-0.307,\n &-0.307,-0.307,-0.307,-0.307,-0.307,-0.307,-0.307,-0.307,-0.307,\n &-0.307,-0.307,-0.307,-0.307,-0.307,-0.307,-0.307,-0.307,-0.307,\n &-0.307,-0.307,-0.307,-0.307,-0.307,-0.308,-0.308,-0.308,-0.308,\n &-0.308,-0.308,-0.308,-0.308,-0.308,-0.309,-0.310,-0.311,-0.311,\n &-0.312,-0.313,-0.314,-0.315,-0.316,-0.317,-0.319,-0.320,-0.321,\n &-0.322,-0.324,-0.325,-0.327,-0.328,-0.330,-0.331,-0.333,-0.335,\n &-0.336,-0.338,-0.340,-0.342,-0.344,-0.346,-0.348,-0.350,-0.352,\n &-0.354,-0.356,-0.358,-0.360,-0.362,-0.365,-0.367,-0.369,-0.371,\n &-0.374,-0.376,-0.379,-0.381,-0.383,-0.386,-0.389,-0.391,-0.394,\n &-0.396,-0.399,-0.401,-0.404,-0.407,-0.410,-0.412,-0.415,-0.418,\n &-0.421,-0.423,-0.426,-0.429,-0.432,-0.435,-0.438,-0.441,-0.444,\n &-0.447,-0.450,-0.453,-0.456,-0.459,-0.462,-0.465,-0.468,-0.471,\n &-0.475,-0.478,-0.481,-0.484,-0.487,-0.491,-0.494,-0.497,-0.500,\n &-0.504,-0.507,-0.510,-0.514,-0.517,-0.520,-0.524,-0.527,-0.531,\n &-0.534,-0.537,-0.541,-0.544,-0.548,-0.551,-0.555,-0.558,-0.562,\n &-0.565,-0.569,-0.573,-0.576,-0.580,-0.583,-0.587,-0.591,-0.594,\n &-0.598,-0.601,-0.605,-0.609,-0.612,-0.616,-0.620,-0.624,-0.627,\n &-0.631,-0.635,-0.639,-0.642,-0.646,-0.650,-0.654,-0.657,-0.661,\n &-0.665,-0.669,-0.673,-0.677,-0.680,-0.684,-0.688,-0.692,-0.696,\n &-0.700,-0.704,-0.708,-0.711,-0.715,-0.719,-0.723,-0.727,-0.731,\n &-0.735,-0.739,-0.743,-0.747,-0.751,-0.755,-0.759,-0.763,-0.767,\n &-0.771,-0.775,-0.779\n & /\nC\nC *** (2H,SO4)\nC\n DATA BNC07M/\n &-0.103,-0.225,-0.286,-0.330,-0.365,-0.394,-0.419,-0.441,-0.460,\n &-0.478,-0.495,-0.510,-0.524,-0.538,-0.550,-0.562,-0.573,-0.584,\n &-0.594,-0.604,-0.613,-0.622,-0.631,-0.640,-0.648,-0.656,-0.663,\n &-0.671,-0.678,-0.685,-0.692,-0.699,-0.705,-0.711,-0.718,-0.724,\n &-0.730,-0.736,-0.741,-0.747,-0.753,-0.758,-0.763,-0.769,-0.774,\n &-0.779,-0.784,-0.789,-0.794,-0.798,-0.803,-0.808,-0.812,-0.817,\n &-0.821,-0.826,-0.830,-0.834,-0.839,-0.843,-0.847,-0.851,-0.855,\n &-0.859,-0.863,-0.867,-0.871,-0.875,-0.879,-0.883,-0.886,-0.890,\n &-0.894,-0.897,-0.901,-0.905,-0.908,-0.912,-0.915,-0.919,-0.922,\n &-0.926,-0.929,-0.933,-0.936,-0.939,-0.943,-0.946,-0.949,-0.953,\n &-0.956,-0.959,-0.962,-0.965,-0.969,-0.972,-0.975,-0.978,-0.981,\n &-0.984,-0.987,-0.990,-0.994,-0.997,-1.000,-1.003,-1.006,-1.009,\n &-1.012,-1.015,-1.017,-1.020,-1.023,-1.026,-1.029,-1.032,-1.035,\n &-1.038,-1.041,-1.043,-1.046,-1.049,-1.052,-1.055,-1.057,-1.060,\n &-1.063,-1.066,-1.068,-1.071,-1.074,-1.077,-1.079,-1.082,-1.085,\n &-1.087,-1.090,-1.093,-1.095,-1.098,-1.100,-1.103,-1.106,-1.108,\n &-1.111,-1.113,-1.116,-1.119,-1.121,-1.124,-1.126,-1.129,-1.131,\n &-1.134,-1.136,-1.139,-1.141,-1.144,-1.146,-1.149,-1.151,-1.154,\n &-1.156,-1.159,-1.161,-1.163,-1.166,-1.168,-1.171,-1.173,-1.176,\n &-1.178,-1.180,-1.183,-1.185,-1.187,-1.190,-1.192,-1.195,-1.197,\n &-1.199,-1.202,-1.204,-1.206,-1.209,-1.211,-1.213,-1.216,-1.218,\n &-1.220,-1.222,-1.225,-1.227,-1.229,-1.232,-1.234,-1.236,-1.238,\n &-1.241,-1.243,-1.245,-1.247,-1.250,-1.252,-1.254,-1.256,-1.258,\n &-1.261,-1.263,-1.265,-1.267,-1.270,-1.272,-1.274,-1.276,-1.278,\n &-1.280,-1.283,-1.285,-1.287,-1.289,-1.291,-1.293,-1.296,-1.298,\n &-1.300,-1.302,-1.304,-1.306,-1.308,-1.311,-1.313,-1.315,-1.317,\n &-1.319,-1.321,-1.323,-1.325,-1.328,-1.330,-1.332,-1.334,-1.336,\n &-1.338,-1.340,-1.342,-1.344,-1.346,-1.348,-1.350,-1.353,-1.355,\n &-1.357,-1.359,-1.361,-1.363,-1.365,-1.367,-1.369,-1.371,-1.373,\n &-1.375,-1.377,-1.379,-1.381,-1.383,-1.385,-1.387,-1.389,-1.391,\n &-1.393,-1.395,-1.397,-1.399,-1.401,-1.403,-1.405,-1.407,-1.409,\n &-1.411,-1.413,-1.415,-1.417,-1.419,-1.421,-1.423,-1.425,-1.427,\n &-1.429,-1.431,-1.433,-1.435,-1.437,-1.439,-1.441,-1.443,-1.445,\n &-1.447,-1.449,-1.451,-1.453,-1.455,-1.456,-1.458,-1.460,-1.462,\n &-1.464,-1.466,-1.468,-1.470,-1.472,-1.474,-1.476,-1.478,-1.480,\n &-1.481,-1.483,-1.485,-1.487,-1.489,-1.491,-1.493,-1.495,-1.497,\n &-1.499,-1.500,-1.502,-1.504,-1.506,-1.508,-1.510,-1.512,-1.514,\n &-1.516,-1.517,-1.519,-1.521,-1.523,-1.525,-1.527,-1.529,-1.531,\n &-1.532,-1.534,-1.536,-1.538,-1.540,-1.542,-1.544,-1.545,-1.547,\n &-1.549,-1.551,-1.553,-1.555,-1.557,-1.558,-1.560,-1.562,-1.564,\n &-1.566,-1.568,-1.569,-1.571,-1.573,-1.575,-1.577,-1.579,-1.580,\n &-1.582,-1.584,-1.586,-1.588,-1.589,-1.591,-1.593,-1.595,-1.597,\n &-1.598,-1.600,-1.602,-1.604,-1.606,-1.608,-1.609,-1.611,-1.613,\n &-1.615,-1.617,-1.618,-1.620,-1.622,-1.624,-1.625,-1.627,-1.629,\n &-1.631,-1.633,-1.634,-1.636,-1.655,-1.673,-1.691,-1.708,-1.725,\n &-1.742,-1.760,-1.777,-1.793,-1.810,-1.827,-1.844,-1.860,-1.877,\n &-1.893,-1.910,-1.926,-1.942,-1.958,-1.974,-1.990,-2.006,-2.022,\n &-2.038,-2.054,-2.070,-2.086,-2.101,-2.117,-2.132,-2.148,-2.163,\n &-2.179,-2.194,-2.210,-2.225,-2.240,-2.255,-2.271,-2.286,-2.301,\n &-2.316,-2.331,-2.346,-2.361,-2.376,-2.391,-2.406,-2.420,-2.435,\n &-2.450,-2.465,-2.479,-2.494,-2.509,-2.523,-2.538,-2.553,-2.567,\n &-2.582,-2.596,-2.611,-2.625,-2.640,-2.654,-2.668,-2.683,-2.697,\n &-2.711,-2.726,-2.740,-2.754,-2.768,-2.783,-2.797,-2.811,-2.825,\n &-2.839,-2.853,-2.867,-2.881,-2.895,-2.909,-2.923,-2.937,-2.951,\n &-2.965,-2.979,-2.993,-3.007,-3.021,-3.035,-3.049,-3.063,-3.076,\n &-3.090,-3.104,-3.118,-3.132,-3.145,-3.159,-3.173,-3.186,-3.200,\n &-3.214,-3.227,-3.241,-3.255,-3.268,-3.282,-3.295,-3.309,-3.323,\n &-3.336,-3.350,-3.363,-3.377,-3.390,-3.404,-3.417,-3.431,-3.444,\n &-3.458,-3.471,-3.484,-3.498,-3.511,-3.525,-3.538,-3.551,-3.565,\n &-3.578,-3.591,-3.605,-3.618,-3.631,-3.645,-3.658,-3.671,-3.684,\n &-3.698,-3.711,-3.724,-3.737,-3.750,-3.764,-3.777,-3.790,-3.803,\n &-3.816,-3.829,-3.843,-3.856,-3.869,-3.882,-3.895,-3.908,-3.921,\n &-3.934,-3.947,-3.960\n & /\nC\nC *** (H,HSO4)\nC\n DATA BNC08M/\n &-0.047,-0.093,-0.110,-0.119,-0.125,-0.128,-0.130,-0.130,-0.129,\n &-0.128,-0.126,-0.123,-0.119,-0.116,-0.111,-0.107,-0.102,-0.096,\n &-0.091,-0.085,-0.079,-0.073,-0.066,-0.059,-0.052,-0.045,-0.037,\n &-0.030,-0.022,-0.014,-0.006, 0.003, 0.011, 0.020, 0.028, 0.037,\n & 0.046, 0.055, 0.065, 0.074, 0.083, 0.093, 0.103, 0.113, 0.122,\n & 0.132, 0.142, 0.152, 0.163, 0.173, 0.183, 0.194, 0.204, 0.215,\n & 0.225, 0.236, 0.247, 0.258, 0.268, 0.279, 0.290, 0.301, 0.312,\n & 0.323, 0.334, 0.346, 0.357, 0.368, 0.380, 0.391, 0.402, 0.414,\n & 0.425, 0.437, 0.449, 0.461, 0.472, 0.484, 0.496, 0.508, 0.520,\n & 0.532, 0.544, 0.557, 0.569, 0.581, 0.594, 0.606, 0.619, 0.631,\n & 0.644, 0.657, 0.669, 0.682, 0.695, 0.708, 0.721, 0.734, 0.747,\n & 0.761, 0.774, 0.787, 0.800, 0.814, 0.827, 0.841, 0.854, 0.868,\n & 0.881, 0.895, 0.908, 0.922, 0.936, 0.949, 0.963, 0.977, 0.990,\n & 1.004, 1.018, 1.031, 1.045, 1.059, 1.072, 1.086, 1.100, 1.114,\n & 1.127, 1.141, 1.155, 1.168, 1.182, 1.195, 1.209, 1.223, 1.236,\n & 1.250, 1.263, 1.277, 1.290, 1.304, 1.317, 1.331, 1.344, 1.358,\n & 1.371, 1.384, 1.398, 1.411, 1.424, 1.437, 1.451, 1.464, 1.477,\n & 1.490, 1.503, 1.516, 1.529, 1.542, 1.555, 1.568, 1.581, 1.594,\n & 1.607, 1.620, 1.633, 1.646, 1.659, 1.671, 1.684, 1.697, 1.709,\n & 1.722, 1.735, 1.747, 1.760, 1.772, 1.785, 1.798, 1.810, 1.822,\n & 1.835, 1.847, 1.860, 1.872, 1.884, 1.896, 1.909, 1.921, 1.933,\n & 1.945, 1.957, 1.970, 1.982, 1.994, 2.006, 2.018, 2.030, 2.042,\n & 2.054, 2.065, 2.077, 2.089, 2.101, 2.113, 2.125, 2.136, 2.148,\n & 2.160, 2.171, 2.183, 2.195, 2.206, 2.218, 2.229, 2.241, 2.252,\n & 2.264, 2.275, 2.286, 2.298, 2.309, 2.320, 2.332, 2.343, 2.354,\n & 2.365, 2.377, 2.388, 2.399, 2.410, 2.421, 2.432, 2.443, 2.454,\n & 2.465, 2.476, 2.487, 2.498, 2.509, 2.520, 2.531, 2.541, 2.552,\n & 2.563, 2.574, 2.584, 2.595, 2.606, 2.616, 2.627, 2.638, 2.648,\n & 2.659, 2.669, 2.680, 2.690, 2.701, 2.711, 2.722, 2.732, 2.742,\n & 2.753, 2.763, 2.773, 2.784, 2.794, 2.804, 2.814, 2.825, 2.835,\n & 2.845, 2.855, 2.865, 2.875, 2.885, 2.895, 2.905, 2.915, 2.925,\n & 2.935, 2.945, 2.955, 2.965, 2.975, 2.985, 2.995, 3.005, 3.014,\n & 3.024, 3.034, 3.044, 3.053, 3.063, 3.073, 3.082, 3.092, 3.102,\n & 3.111, 3.121, 3.130, 3.140, 3.149, 3.159, 3.168, 3.178, 3.187,\n & 3.197, 3.206, 3.215, 3.225, 3.234, 3.243, 3.253, 3.262, 3.271,\n & 3.280, 3.290, 3.299, 3.308, 3.317, 3.326, 3.336, 3.345, 3.354,\n & 3.363, 3.372, 3.381, 3.390, 3.399, 3.408, 3.417, 3.426, 3.435,\n & 3.444, 3.453, 3.462, 3.470, 3.479, 3.488, 3.497, 3.506, 3.514,\n & 3.523, 3.532, 3.541, 3.549, 3.558, 3.567, 3.575, 3.584, 3.593,\n & 3.601, 3.610, 3.619, 3.627, 3.636, 3.644, 3.653, 3.661, 3.670,\n & 3.678, 3.687, 3.695, 3.704, 3.712, 3.720, 3.729, 3.737, 3.745,\n & 3.754, 3.762, 3.770, 3.779, 3.787, 3.795, 3.803, 3.812, 3.820,\n & 3.828, 3.836, 3.844, 3.852, 3.861, 3.869, 3.877, 3.885, 3.893,\n & 3.901, 3.909, 3.917, 3.925, 3.933, 3.941, 3.949, 3.957, 3.965,\n & 3.973, 3.981, 3.989, 3.997, 4.081, 4.158, 4.233, 4.307, 4.380,\n & 4.452, 4.522, 4.592, 4.660, 4.727, 4.793, 4.859, 4.923, 4.986,\n & 5.048, 5.110, 5.171, 5.230, 5.289, 5.347, 5.405, 5.461, 5.517,\n & 5.572, 5.626, 5.680, 5.733, 5.785, 5.837, 5.888, 5.938, 5.988,\n & 6.037, 6.085, 6.133, 6.181, 6.228, 6.274, 6.320, 6.365, 6.410,\n & 6.454, 6.498, 6.541, 6.584, 6.626, 6.668, 6.710, 6.751, 6.792,\n & 6.832, 6.872, 6.911, 6.950, 6.989, 7.027, 7.065, 7.102, 7.139,\n & 7.176, 7.212, 7.248, 7.284, 7.319, 7.354, 7.389, 7.424, 7.458,\n & 7.491, 7.525, 7.558, 7.591, 7.623, 7.656, 7.688, 7.719, 7.751,\n & 7.782, 7.813, 7.844, 7.874, 7.904, 7.934, 7.964, 7.993, 8.022,\n & 8.051, 8.080, 8.108, 8.137, 8.165, 8.192, 8.220, 8.247, 8.274,\n & 8.301, 8.328, 8.354, 8.381, 8.407, 8.433, 8.458, 8.484, 8.509,\n & 8.534, 8.559, 8.584, 8.609, 8.633, 8.657, 8.681, 8.705, 8.729,\n & 8.752, 8.776, 8.799, 8.822, 8.845, 8.868, 8.890, 8.913, 8.935,\n & 8.957, 8.979, 9.001, 9.022, 9.044, 9.065, 9.086, 9.107, 9.128,\n & 9.149, 9.170, 9.190, 9.211, 9.231, 9.251, 9.271, 9.291, 9.311,\n & 9.330, 9.350, 9.369, 9.388, 9.407, 9.426, 9.445, 9.464, 9.483,\n & 9.501, 9.520, 9.538, 9.556, 9.574, 9.592, 9.610, 9.628, 9.645,\n & 9.663, 9.680, 9.698\n & /\nC\nC *** NH4HSO4\nC\n DATA BNC09M/\n &-0.050,-0.107,-0.134,-0.153,-0.167,-0.179,-0.189,-0.197,-0.204,\n &-0.211,-0.216,-0.221,-0.226,-0.230,-0.234,-0.237,-0.240,-0.243,\n &-0.245,-0.247,-0.249,-0.251,-0.252,-0.254,-0.255,-0.256,-0.256,\n &-0.257,-0.257,-0.258,-0.258,-0.258,-0.258,-0.258,-0.257,-0.257,\n &-0.256,-0.255,-0.255,-0.254,-0.253,-0.252,-0.250,-0.249,-0.248,\n &-0.246,-0.245,-0.243,-0.242,-0.240,-0.238,-0.236,-0.234,-0.232,\n &-0.230,-0.228,-0.226,-0.224,-0.221,-0.219,-0.217,-0.214,-0.212,\n &-0.209,-0.207,-0.204,-0.201,-0.199,-0.196,-0.193,-0.190,-0.188,\n &-0.185,-0.182,-0.179,-0.176,-0.173,-0.170,-0.167,-0.163,-0.160,\n &-0.157,-0.154,-0.150,-0.147,-0.144,-0.140,-0.137,-0.133,-0.130,\n &-0.126,-0.123,-0.119,-0.116,-0.112,-0.108,-0.104,-0.101,-0.097,\n &-0.093,-0.089,-0.086,-0.082,-0.078,-0.074,-0.070,-0.066,-0.062,\n &-0.058,-0.054,-0.050,-0.046,-0.042,-0.038,-0.034,-0.030,-0.026,\n &-0.022,-0.018,-0.014,-0.010,-0.006,-0.002, 0.002, 0.006, 0.010,\n & 0.014, 0.018, 0.022, 0.026, 0.030, 0.034, 0.038, 0.042, 0.046,\n & 0.050, 0.054, 0.058, 0.062, 0.066, 0.070, 0.074, 0.078, 0.082,\n & 0.086, 0.090, 0.094, 0.098, 0.102, 0.106, 0.110, 0.114, 0.117,\n & 0.121, 0.125, 0.129, 0.133, 0.137, 0.140, 0.144, 0.148, 0.152,\n & 0.156, 0.159, 0.163, 0.167, 0.171, 0.174, 0.178, 0.182, 0.186,\n & 0.189, 0.193, 0.197, 0.200, 0.204, 0.208, 0.211, 0.215, 0.219,\n & 0.222, 0.226, 0.229, 0.233, 0.237, 0.240, 0.244, 0.247, 0.251,\n & 0.254, 0.258, 0.261, 0.265, 0.268, 0.272, 0.275, 0.279, 0.282,\n & 0.286, 0.289, 0.293, 0.296, 0.299, 0.303, 0.306, 0.309, 0.313,\n & 0.316, 0.320, 0.323, 0.326, 0.330, 0.333, 0.336, 0.339, 0.343,\n & 0.346, 0.349, 0.353, 0.356, 0.359, 0.362, 0.366, 0.369, 0.372,\n & 0.375, 0.378, 0.382, 0.385, 0.388, 0.391, 0.394, 0.397, 0.401,\n & 0.404, 0.407, 0.410, 0.413, 0.416, 0.419, 0.422, 0.425, 0.428,\n & 0.431, 0.434, 0.438, 0.441, 0.444, 0.447, 0.450, 0.453, 0.456,\n & 0.459, 0.462, 0.465, 0.467, 0.470, 0.473, 0.476, 0.479, 0.482,\n & 0.485, 0.488, 0.491, 0.494, 0.497, 0.500, 0.502, 0.505, 0.508,\n & 0.511, 0.514, 0.517, 0.520, 0.522, 0.525, 0.528, 0.531, 0.534,\n & 0.536, 0.539, 0.542, 0.545, 0.547, 0.550, 0.553, 0.556, 0.558,\n & 0.561, 0.564, 0.567, 0.569, 0.572, 0.575, 0.577, 0.580, 0.583,\n & 0.585, 0.588, 0.591, 0.593, 0.596, 0.599, 0.601, 0.604, 0.607,\n & 0.609, 0.612, 0.614, 0.617, 0.620, 0.622, 0.625, 0.627, 0.630,\n & 0.633, 0.635, 0.638, 0.640, 0.643, 0.645, 0.648, 0.650, 0.653,\n & 0.655, 0.658, 0.660, 0.663, 0.665, 0.668, 0.670, 0.673, 0.675,\n & 0.678, 0.680, 0.683, 0.685, 0.687, 0.690, 0.692, 0.695, 0.697,\n & 0.700, 0.702, 0.704, 0.707, 0.709, 0.711, 0.714, 0.716, 0.719,\n & 0.721, 0.723, 0.726, 0.728, 0.730, 0.733, 0.735, 0.737, 0.740,\n & 0.742, 0.744, 0.747, 0.749, 0.751, 0.754, 0.756, 0.758, 0.760,\n & 0.763, 0.765, 0.767, 0.769, 0.772, 0.774, 0.776, 0.778, 0.781,\n & 0.783, 0.785, 0.787, 0.790, 0.792, 0.794, 0.796, 0.798, 0.801,\n & 0.803, 0.805, 0.807, 0.809, 0.811, 0.814, 0.816, 0.818, 0.820,\n & 0.822, 0.824, 0.827, 0.829, 0.851, 0.872, 0.892, 0.912, 0.932,\n & 0.951, 0.969, 0.988, 1.006, 1.024, 1.041, 1.058, 1.075, 1.091,\n & 1.107, 1.123, 1.139, 1.154, 1.169, 1.184, 1.199, 1.213, 1.227,\n & 1.241, 1.255, 1.268, 1.282, 1.295, 1.307, 1.320, 1.332, 1.345,\n & 1.357, 1.368, 1.380, 1.392, 1.403, 1.414, 1.425, 1.436, 1.446,\n & 1.457, 1.467, 1.478, 1.488, 1.497, 1.507, 1.517, 1.526, 1.536,\n & 1.545, 1.554, 1.563, 1.572, 1.580, 1.589, 1.597, 1.606, 1.614,\n & 1.622, 1.630, 1.638, 1.646, 1.653, 1.661, 1.668, 1.676, 1.683,\n & 1.690, 1.697, 1.704, 1.711, 1.718, 1.724, 1.731, 1.737, 1.744,\n & 1.750, 1.756, 1.762, 1.769, 1.775, 1.780, 1.786, 1.792, 1.798,\n & 1.803, 1.809, 1.814, 1.820, 1.825, 1.830, 1.835, 1.840, 1.845,\n & 1.850, 1.855, 1.860, 1.865, 1.870, 1.874, 1.879, 1.883, 1.888,\n & 1.892, 1.896, 1.901, 1.905, 1.909, 1.913, 1.917, 1.921, 1.925,\n & 1.929, 1.933, 1.936, 1.940, 1.944, 1.947, 1.951, 1.955, 1.958,\n & 1.961, 1.965, 1.968, 1.971, 1.975, 1.978, 1.981, 1.984, 1.987,\n & 1.990, 1.993, 1.996, 1.999, 2.001, 2.004, 2.007, 2.010, 2.012,\n & 2.015, 2.017, 2.020, 2.022, 2.025, 2.027, 2.030, 2.032, 2.034,\n & 2.037, 2.039, 2.041, 2.043, 2.045, 2.047, 2.049, 2.051, 2.053,\n & 2.055, 2.057, 2.059\n & /\nC\nC *** (H,NO3)\nC\n DATA BNC10M/\n &-0.049,-0.102,-0.125,-0.140,-0.150,-0.158,-0.163,-0.168,-0.171,\n &-0.174,-0.176,-0.178,-0.179,-0.179,-0.179,-0.179,-0.179,-0.179,\n &-0.178,-0.177,-0.176,-0.175,-0.174,-0.172,-0.171,-0.169,-0.168,\n &-0.166,-0.164,-0.162,-0.160,-0.158,-0.156,-0.154,-0.152,-0.150,\n &-0.148,-0.146,-0.144,-0.141,-0.139,-0.137,-0.135,-0.132,-0.130,\n &-0.128,-0.126,-0.123,-0.121,-0.119,-0.116,-0.114,-0.112,-0.109,\n &-0.107,-0.105,-0.102,-0.100,-0.098,-0.095,-0.093,-0.091,-0.088,\n &-0.086,-0.084,-0.081,-0.079,-0.077,-0.074,-0.072,-0.070,-0.067,\n &-0.065,-0.062,-0.060,-0.057,-0.055,-0.052,-0.050,-0.048,-0.045,\n &-0.042,-0.040,-0.037,-0.035,-0.032,-0.030,-0.027,-0.024,-0.022,\n &-0.019,-0.016,-0.013,-0.011,-0.008,-0.005,-0.002, 0.001, 0.003,\n & 0.006, 0.009, 0.012, 0.015, 0.018, 0.021, 0.024, 0.027, 0.030,\n & 0.033, 0.036, 0.039, 0.042, 0.045, 0.048, 0.051, 0.054, 0.057,\n & 0.060, 0.063, 0.066, 0.069, 0.072, 0.075, 0.078, 0.081, 0.084,\n & 0.087, 0.091, 0.094, 0.097, 0.100, 0.103, 0.106, 0.109, 0.112,\n & 0.115, 0.118, 0.121, 0.124, 0.127, 0.130, 0.133, 0.136, 0.139,\n & 0.142, 0.146, 0.149, 0.152, 0.155, 0.158, 0.161, 0.164, 0.167,\n & 0.170, 0.173, 0.176, 0.179, 0.182, 0.185, 0.188, 0.191, 0.193,\n & 0.196, 0.199, 0.202, 0.205, 0.208, 0.211, 0.214, 0.217, 0.220,\n & 0.223, 0.226, 0.229, 0.232, 0.235, 0.237, 0.240, 0.243, 0.246,\n & 0.249, 0.252, 0.255, 0.258, 0.260, 0.263, 0.266, 0.269, 0.272,\n & 0.275, 0.278, 0.280, 0.283, 0.286, 0.289, 0.292, 0.294, 0.297,\n & 0.300, 0.303, 0.306, 0.308, 0.311, 0.314, 0.317, 0.319, 0.322,\n & 0.325, 0.328, 0.330, 0.333, 0.336, 0.339, 0.341, 0.344, 0.347,\n & 0.349, 0.352, 0.355, 0.358, 0.360, 0.363, 0.366, 0.368, 0.371,\n & 0.374, 0.376, 0.379, 0.382, 0.384, 0.387, 0.389, 0.392, 0.395,\n & 0.397, 0.400, 0.403, 0.405, 0.408, 0.410, 0.413, 0.415, 0.418,\n & 0.421, 0.423, 0.426, 0.428, 0.431, 0.433, 0.436, 0.438, 0.441,\n & 0.444, 0.446, 0.449, 0.451, 0.454, 0.456, 0.459, 0.461, 0.464,\n & 0.466, 0.469, 0.471, 0.473, 0.476, 0.478, 0.481, 0.483, 0.486,\n & 0.488, 0.491, 0.493, 0.495, 0.498, 0.500, 0.503, 0.505, 0.508,\n & 0.510, 0.512, 0.515, 0.517, 0.519, 0.522, 0.524, 0.527, 0.529,\n & 0.531, 0.534, 0.536, 0.538, 0.541, 0.543, 0.545, 0.548, 0.550,\n & 0.552, 0.555, 0.557, 0.559, 0.562, 0.564, 0.566, 0.568, 0.571,\n & 0.573, 0.575, 0.578, 0.580, 0.582, 0.584, 0.587, 0.589, 0.591,\n & 0.593, 0.595, 0.598, 0.600, 0.602, 0.604, 0.607, 0.609, 0.611,\n & 0.613, 0.615, 0.618, 0.620, 0.622, 0.624, 0.626, 0.628, 0.631,\n & 0.633, 0.635, 0.637, 0.639, 0.641, 0.644, 0.646, 0.648, 0.650,\n & 0.652, 0.654, 0.656, 0.658, 0.660, 0.663, 0.665, 0.667, 0.669,\n & 0.671, 0.673, 0.675, 0.677, 0.679, 0.681, 0.683, 0.685, 0.688,\n & 0.690, 0.692, 0.694, 0.696, 0.698, 0.700, 0.702, 0.704, 0.706,\n & 0.708, 0.710, 0.712, 0.714, 0.716, 0.718, 0.720, 0.722, 0.724,\n & 0.726, 0.728, 0.730, 0.732, 0.734, 0.736, 0.738, 0.740, 0.742,\n & 0.743, 0.745, 0.747, 0.749, 0.751, 0.753, 0.755, 0.757, 0.759,\n & 0.761, 0.763, 0.765, 0.767, 0.787, 0.805, 0.824, 0.841, 0.859,\n & 0.876, 0.893, 0.909, 0.926, 0.942, 0.957, 0.973, 0.988, 1.003,\n & 1.017, 1.032, 1.046, 1.060, 1.073, 1.087, 1.100, 1.113, 1.126,\n & 1.138, 1.151, 1.163, 1.175, 1.187, 1.198, 1.210, 1.221, 1.232,\n & 1.243, 1.253, 1.264, 1.274, 1.285, 1.295, 1.305, 1.314, 1.324,\n & 1.333, 1.343, 1.352, 1.361, 1.370, 1.378, 1.387, 1.395, 1.404,\n & 1.412, 1.420, 1.428, 1.436, 1.444, 1.451, 1.459, 1.466, 1.474,\n & 1.481, 1.488, 1.495, 1.502, 1.509, 1.515, 1.522, 1.529, 1.535,\n & 1.541, 1.548, 1.554, 1.560, 1.566, 1.572, 1.577, 1.583, 1.589,\n & 1.594, 1.600, 1.605, 1.610, 1.616, 1.621, 1.626, 1.631, 1.636,\n & 1.641, 1.645, 1.650, 1.655, 1.659, 1.664, 1.668, 1.673, 1.677,\n & 1.681, 1.685, 1.690, 1.694, 1.698, 1.702, 1.705, 1.709, 1.713,\n & 1.717, 1.720, 1.724, 1.728, 1.731, 1.734, 1.738, 1.741, 1.744,\n & 1.748, 1.751, 1.754, 1.757, 1.760, 1.763, 1.766, 1.769, 1.772,\n & 1.775, 1.777, 1.780, 1.783, 1.785, 1.788, 1.790, 1.793, 1.795,\n & 1.798, 1.800, 1.802, 1.805, 1.807, 1.809, 1.811, 1.813, 1.815,\n & 1.817, 1.819, 1.821, 1.823, 1.825, 1.827, 1.829, 1.831, 1.832,\n & 1.834, 1.836, 1.838, 1.839, 1.841, 1.842, 1.844, 1.845, 1.847,\n & 1.848, 1.849, 1.851\n & /\nC\nC *** (H,Cl)\nC\n DATA BNC11M/\n &-0.048,-0.094,-0.112,-0.122,-0.128,-0.131,-0.133,-0.133,-0.133,\n &-0.131,-0.129,-0.126,-0.123,-0.119,-0.116,-0.111,-0.107,-0.102,\n &-0.097,-0.092,-0.086,-0.080,-0.075,-0.069,-0.062,-0.056,-0.050,\n &-0.043,-0.037,-0.030,-0.023,-0.016,-0.009,-0.002, 0.005, 0.012,\n & 0.020, 0.027, 0.035, 0.042, 0.050, 0.057, 0.065, 0.072, 0.080,\n & 0.088, 0.095, 0.103, 0.111, 0.119, 0.126, 0.134, 0.142, 0.150,\n & 0.158, 0.166, 0.174, 0.182, 0.190, 0.198, 0.206, 0.214, 0.222,\n & 0.230, 0.238, 0.246, 0.254, 0.262, 0.270, 0.278, 0.287, 0.295,\n & 0.303, 0.311, 0.320, 0.328, 0.336, 0.345, 0.353, 0.362, 0.370,\n & 0.379, 0.387, 0.396, 0.405, 0.413, 0.422, 0.431, 0.440, 0.449,\n & 0.457, 0.466, 0.475, 0.484, 0.494, 0.503, 0.512, 0.521, 0.530,\n & 0.540, 0.549, 0.558, 0.568, 0.577, 0.587, 0.596, 0.606, 0.615,\n & 0.625, 0.634, 0.644, 0.653, 0.663, 0.673, 0.682, 0.692, 0.702,\n & 0.711, 0.721, 0.731, 0.740, 0.750, 0.760, 0.769, 0.779, 0.789,\n & 0.798, 0.808, 0.818, 0.827, 0.837, 0.847, 0.856, 0.866, 0.875,\n & 0.885, 0.895, 0.904, 0.914, 0.923, 0.933, 0.942, 0.952, 0.961,\n & 0.971, 0.980, 0.990, 0.999, 1.009, 1.018, 1.027, 1.037, 1.046,\n & 1.055, 1.065, 1.074, 1.083, 1.093, 1.102, 1.111, 1.120, 1.130,\n & 1.139, 1.148, 1.157, 1.166, 1.175, 1.184, 1.194, 1.203, 1.212,\n & 1.221, 1.230, 1.239, 1.248, 1.257, 1.266, 1.275, 1.283, 1.292,\n & 1.301, 1.310, 1.319, 1.328, 1.336, 1.345, 1.354, 1.363, 1.372,\n & 1.380, 1.389, 1.398, 1.406, 1.415, 1.423, 1.432, 1.441, 1.449,\n & 1.458, 1.466, 1.475, 1.483, 1.492, 1.500, 1.509, 1.517, 1.526,\n & 1.534, 1.542, 1.551, 1.559, 1.567, 1.576, 1.584, 1.592, 1.600,\n & 1.609, 1.617, 1.625, 1.633, 1.641, 1.649, 1.658, 1.666, 1.674,\n & 1.682, 1.690, 1.698, 1.706, 1.714, 1.722, 1.730, 1.738, 1.746,\n & 1.754, 1.762, 1.769, 1.777, 1.785, 1.793, 1.801, 1.809, 1.816,\n & 1.824, 1.832, 1.840, 1.847, 1.855, 1.863, 1.870, 1.878, 1.886,\n & 1.893, 1.901, 1.908, 1.916, 1.924, 1.931, 1.939, 1.946, 1.954,\n & 1.961, 1.969, 1.976, 1.983, 1.991, 1.998, 2.006, 2.013, 2.020,\n & 2.028, 2.035, 2.042, 2.049, 2.057, 2.064, 2.071, 2.078, 2.086,\n & 2.093, 2.100, 2.107, 2.114, 2.122, 2.129, 2.136, 2.143, 2.150,\n & 2.157, 2.164, 2.171, 2.178, 2.185, 2.192, 2.199, 2.206, 2.213,\n & 2.220, 2.227, 2.234, 2.241, 2.247, 2.254, 2.261, 2.268, 2.275,\n & 2.282, 2.288, 2.295, 2.302, 2.309, 2.315, 2.322, 2.329, 2.336,\n & 2.342, 2.349, 2.356, 2.362, 2.369, 2.376, 2.382, 2.389, 2.395,\n & 2.402, 2.408, 2.415, 2.421, 2.428, 2.434, 2.441, 2.447, 2.454,\n & 2.460, 2.467, 2.473, 2.480, 2.486, 2.492, 2.499, 2.505, 2.512,\n & 2.518, 2.524, 2.531, 2.537, 2.543, 2.549, 2.556, 2.562, 2.568,\n & 2.574, 2.581, 2.587, 2.593, 2.599, 2.605, 2.612, 2.618, 2.624,\n & 2.630, 2.636, 2.642, 2.648, 2.654, 2.660, 2.666, 2.672, 2.679,\n & 2.685, 2.691, 2.697, 2.703, 2.709, 2.714, 2.720, 2.726, 2.732,\n & 2.738, 2.744, 2.750, 2.756, 2.762, 2.768, 2.774, 2.779, 2.785,\n & 2.791, 2.797, 2.803, 2.808, 2.814, 2.820, 2.826, 2.832, 2.837,\n & 2.843, 2.849, 2.854, 2.860, 2.921, 2.976, 3.031, 3.084, 3.137,\n & 3.189, 3.240, 3.290, 3.339, 3.387, 3.435, 3.482, 3.528, 3.574,\n & 3.619, 3.663, 3.706, 3.749, 3.792, 3.833, 3.874, 3.915, 3.955,\n & 3.994, 4.033, 4.072, 4.109, 4.147, 4.184, 4.220, 4.256, 4.291,\n & 4.327, 4.361, 4.395, 4.429, 4.462, 4.495, 4.528, 4.560, 4.592,\n & 4.623, 4.654, 4.685, 4.716, 4.746, 4.775, 4.805, 4.834, 4.862,\n & 4.891, 4.919, 4.947, 4.974, 5.001, 5.028, 5.055, 5.081, 5.107,\n & 5.133, 5.159, 5.184, 5.209, 5.234, 5.259, 5.283, 5.307, 5.331,\n & 5.355, 5.378, 5.401, 5.424, 5.447, 5.469, 5.492, 5.514, 5.536,\n & 5.557, 5.579, 5.600, 5.621, 5.642, 5.663, 5.684, 5.704, 5.724,\n & 5.744, 5.764, 5.784, 5.803, 5.823, 5.842, 5.861, 5.880, 5.898,\n & 5.917, 5.935, 5.953, 5.972, 5.989, 6.007, 6.025, 6.042, 6.060,\n & 6.077, 6.094, 6.111, 6.128, 6.144, 6.161, 6.177, 6.194, 6.210,\n & 6.226, 6.242, 6.257, 6.273, 6.289, 6.304, 6.319, 6.334, 6.350,\n & 6.365, 6.379, 6.394, 6.409, 6.423, 6.438, 6.452, 6.466, 6.480,\n & 6.494, 6.508, 6.522, 6.536, 6.549, 6.563, 6.576, 6.589, 6.602,\n & 6.616, 6.629, 6.641, 6.654, 6.667, 6.680, 6.692, 6.705, 6.717,\n & 6.729, 6.742, 6.754, 6.766, 6.778, 6.790, 6.801, 6.813, 6.825,\n & 6.836, 6.848, 6.859\n & /\nC\nC *** NaHSO4\nC\n DATA BNC12M/\n &-0.049,-0.101,-0.125,-0.140,-0.151,-0.159,-0.166,-0.171,-0.175,\n &-0.178,-0.181,-0.183,-0.184,-0.185,-0.186,-0.186,-0.186,-0.186,\n &-0.186,-0.185,-0.184,-0.183,-0.181,-0.180,-0.178,-0.176,-0.174,\n &-0.172,-0.170,-0.167,-0.165,-0.162,-0.159,-0.156,-0.153,-0.150,\n &-0.147,-0.144,-0.140,-0.137,-0.133,-0.130,-0.126,-0.122,-0.118,\n &-0.114,-0.110,-0.106,-0.102,-0.098,-0.094,-0.090,-0.085,-0.081,\n &-0.076,-0.072,-0.068,-0.063,-0.058,-0.054,-0.049,-0.044,-0.040,\n &-0.035,-0.030,-0.025,-0.020,-0.015,-0.010,-0.005, 0.000, 0.005,\n & 0.010, 0.015, 0.020, 0.026, 0.031, 0.036, 0.042, 0.047, 0.052,\n & 0.058, 0.063, 0.069, 0.075, 0.080, 0.086, 0.092, 0.097, 0.103,\n & 0.109, 0.115, 0.121, 0.127, 0.133, 0.139, 0.145, 0.151, 0.157,\n & 0.163, 0.169, 0.175, 0.181, 0.188, 0.194, 0.200, 0.206, 0.213,\n & 0.219, 0.225, 0.232, 0.238, 0.244, 0.251, 0.257, 0.264, 0.270,\n & 0.276, 0.283, 0.289, 0.296, 0.302, 0.308, 0.315, 0.321, 0.328,\n & 0.334, 0.341, 0.347, 0.353, 0.360, 0.366, 0.373, 0.379, 0.385,\n & 0.392, 0.398, 0.404, 0.411, 0.417, 0.423, 0.430, 0.436, 0.442,\n & 0.448, 0.455, 0.461, 0.467, 0.473, 0.480, 0.486, 0.492, 0.498,\n & 0.504, 0.510, 0.517, 0.523, 0.529, 0.535, 0.541, 0.547, 0.553,\n & 0.559, 0.565, 0.571, 0.577, 0.583, 0.589, 0.595, 0.601, 0.607,\n & 0.613, 0.619, 0.625, 0.631, 0.637, 0.642, 0.648, 0.654, 0.660,\n & 0.666, 0.671, 0.677, 0.683, 0.689, 0.694, 0.700, 0.706, 0.712,\n & 0.717, 0.723, 0.729, 0.734, 0.740, 0.746, 0.751, 0.757, 0.762,\n & 0.768, 0.773, 0.779, 0.785, 0.790, 0.796, 0.801, 0.807, 0.812,\n & 0.817, 0.823, 0.828, 0.834, 0.839, 0.845, 0.850, 0.855, 0.861,\n & 0.866, 0.871, 0.877, 0.882, 0.887, 0.893, 0.898, 0.903, 0.908,\n & 0.914, 0.919, 0.924, 0.929, 0.934, 0.939, 0.945, 0.950, 0.955,\n & 0.960, 0.965, 0.970, 0.975, 0.980, 0.986, 0.991, 0.996, 1.001,\n & 1.006, 1.011, 1.016, 1.021, 1.026, 1.031, 1.036, 1.041, 1.046,\n & 1.050, 1.055, 1.060, 1.065, 1.070, 1.075, 1.080, 1.085, 1.089,\n & 1.094, 1.099, 1.104, 1.109, 1.114, 1.118, 1.123, 1.128, 1.133,\n & 1.137, 1.142, 1.147, 1.151, 1.156, 1.161, 1.165, 1.170, 1.175,\n & 1.179, 1.184, 1.189, 1.193, 1.198, 1.203, 1.207, 1.212, 1.216,\n & 1.221, 1.225, 1.230, 1.234, 1.239, 1.243, 1.248, 1.252, 1.257,\n & 1.261, 1.266, 1.270, 1.275, 1.279, 1.284, 1.288, 1.293, 1.297,\n & 1.301, 1.306, 1.310, 1.314, 1.319, 1.323, 1.327, 1.332, 1.336,\n & 1.340, 1.345, 1.349, 1.353, 1.358, 1.362, 1.366, 1.370, 1.375,\n & 1.379, 1.383, 1.387, 1.391, 1.396, 1.400, 1.404, 1.408, 1.412,\n & 1.417, 1.421, 1.425, 1.429, 1.433, 1.437, 1.441, 1.445, 1.450,\n & 1.454, 1.458, 1.462, 1.466, 1.470, 1.474, 1.478, 1.482, 1.486,\n & 1.490, 1.494, 1.498, 1.502, 1.506, 1.510, 1.514, 1.518, 1.522,\n & 1.526, 1.530, 1.534, 1.538, 1.542, 1.546, 1.549, 1.553, 1.557,\n & 1.561, 1.565, 1.569, 1.573, 1.577, 1.580, 1.584, 1.588, 1.592,\n & 1.596, 1.600, 1.603, 1.607, 1.611, 1.615, 1.618, 1.622, 1.626,\n & 1.630, 1.633, 1.637, 1.641, 1.645, 1.648, 1.652, 1.656, 1.660,\n & 1.663, 1.667, 1.671, 1.674, 1.714, 1.749, 1.784, 1.819, 1.853,\n & 1.886, 1.919, 1.951, 1.982, 2.014, 2.044, 2.074, 2.104, 2.133,\n & 2.162, 2.190, 2.218, 2.246, 2.273, 2.300, 2.326, 2.352, 2.377,\n & 2.403, 2.427, 2.452, 2.476, 2.500, 2.523, 2.547, 2.569, 2.592,\n & 2.614, 2.636, 2.658, 2.679, 2.700, 2.721, 2.742, 2.762, 2.782,\n & 2.802, 2.822, 2.841, 2.860, 2.879, 2.898, 2.916, 2.934, 2.952,\n & 2.970, 2.988, 3.005, 3.022, 3.039, 3.056, 3.073, 3.089, 3.105,\n & 3.121, 3.137, 3.153, 3.168, 3.184, 3.199, 3.214, 3.229, 3.244,\n & 3.258, 3.273, 3.287, 3.301, 3.315, 3.329, 3.342, 3.356, 3.369,\n & 3.382, 3.395, 3.408, 3.421, 3.434, 3.446, 3.459, 3.471, 3.483,\n & 3.496, 3.507, 3.519, 3.531, 3.543, 3.554, 3.566, 3.577, 3.588,\n & 3.599, 3.610, 3.621, 3.632, 3.642, 3.653, 3.663, 3.674, 3.684,\n & 3.694, 3.704, 3.714, 3.724, 3.734, 3.743, 3.753, 3.762, 3.772,\n & 3.781, 3.790, 3.800, 3.809, 3.818, 3.826, 3.835, 3.844, 3.853,\n & 3.861, 3.870, 3.878, 3.887, 3.895, 3.903, 3.911, 3.919, 3.927,\n & 3.935, 3.943, 3.951, 3.959, 3.966, 3.974, 3.981, 3.989, 3.996,\n & 4.004, 4.011, 4.018, 4.025, 4.032, 4.039, 4.046, 4.053, 4.060,\n & 4.067, 4.073, 4.080, 4.087, 4.093, 4.100, 4.106, 4.113, 4.119,\n & 4.125, 4.131, 4.138\n & /\nC\nC *** (NH4)3H(SO4)2\nC\n DATA BNC13M/\n &-0.082,-0.178,-0.227,-0.261,-0.288,-0.311,-0.330,-0.347,-0.363,\n &-0.377,-0.389,-0.401,-0.412,-0.422,-0.431,-0.440,-0.449,-0.457,\n &-0.464,-0.471,-0.478,-0.485,-0.491,-0.497,-0.503,-0.508,-0.514,\n &-0.519,-0.524,-0.529,-0.533,-0.538,-0.542,-0.546,-0.550,-0.554,\n &-0.557,-0.561,-0.565,-0.568,-0.571,-0.574,-0.578,-0.581,-0.583,\n &-0.586,-0.589,-0.592,-0.594,-0.597,-0.599,-0.602,-0.604,-0.606,\n &-0.608,-0.610,-0.612,-0.614,-0.616,-0.618,-0.620,-0.622,-0.624,\n &-0.625,-0.627,-0.629,-0.630,-0.632,-0.633,-0.635,-0.636,-0.637,\n &-0.639,-0.640,-0.641,-0.643,-0.644,-0.645,-0.646,-0.647,-0.648,\n &-0.649,-0.650,-0.651,-0.652,-0.653,-0.654,-0.655,-0.656,-0.657,\n &-0.658,-0.658,-0.659,-0.660,-0.661,-0.661,-0.662,-0.663,-0.663,\n &-0.664,-0.665,-0.665,-0.666,-0.666,-0.667,-0.667,-0.668,-0.668,\n &-0.669,-0.669,-0.670,-0.670,-0.671,-0.671,-0.671,-0.672,-0.672,\n &-0.673,-0.673,-0.673,-0.674,-0.674,-0.674,-0.675,-0.675,-0.675,\n &-0.676,-0.676,-0.676,-0.676,-0.677,-0.677,-0.677,-0.677,-0.678,\n &-0.678,-0.678,-0.679,-0.679,-0.679,-0.679,-0.679,-0.680,-0.680,\n &-0.680,-0.680,-0.681,-0.681,-0.681,-0.681,-0.681,-0.682,-0.682,\n &-0.682,-0.682,-0.682,-0.683,-0.683,-0.683,-0.683,-0.683,-0.684,\n &-0.684,-0.684,-0.684,-0.684,-0.685,-0.685,-0.685,-0.685,-0.685,\n &-0.686,-0.686,-0.686,-0.686,-0.686,-0.687,-0.687,-0.687,-0.687,\n &-0.687,-0.687,-0.688,-0.688,-0.688,-0.688,-0.688,-0.689,-0.689,\n &-0.689,-0.689,-0.689,-0.690,-0.690,-0.690,-0.690,-0.690,-0.691,\n &-0.691,-0.691,-0.691,-0.691,-0.691,-0.692,-0.692,-0.692,-0.692,\n &-0.692,-0.693,-0.693,-0.693,-0.693,-0.693,-0.694,-0.694,-0.694,\n &-0.694,-0.694,-0.695,-0.695,-0.695,-0.695,-0.695,-0.696,-0.696,\n &-0.696,-0.696,-0.696,-0.697,-0.697,-0.697,-0.697,-0.698,-0.698,\n &-0.698,-0.698,-0.698,-0.699,-0.699,-0.699,-0.699,-0.699,-0.700,\n &-0.700,-0.700,-0.700,-0.701,-0.701,-0.701,-0.701,-0.702,-0.702,\n &-0.702,-0.702,-0.702,-0.703,-0.703,-0.703,-0.703,-0.704,-0.704,\n &-0.704,-0.704,-0.705,-0.705,-0.705,-0.705,-0.706,-0.706,-0.706,\n &-0.706,-0.706,-0.707,-0.707,-0.707,-0.707,-0.708,-0.708,-0.708,\n &-0.708,-0.709,-0.709,-0.709,-0.710,-0.710,-0.710,-0.710,-0.711,\n &-0.711,-0.711,-0.711,-0.712,-0.712,-0.712,-0.712,-0.713,-0.713,\n &-0.713,-0.713,-0.714,-0.714,-0.714,-0.715,-0.715,-0.715,-0.715,\n &-0.716,-0.716,-0.716,-0.716,-0.717,-0.717,-0.717,-0.718,-0.718,\n &-0.718,-0.718,-0.719,-0.719,-0.719,-0.720,-0.720,-0.720,-0.720,\n &-0.721,-0.721,-0.721,-0.722,-0.722,-0.722,-0.723,-0.723,-0.723,\n &-0.723,-0.724,-0.724,-0.724,-0.725,-0.725,-0.725,-0.726,-0.726,\n &-0.726,-0.727,-0.727,-0.727,-0.727,-0.728,-0.728,-0.728,-0.729,\n &-0.729,-0.729,-0.730,-0.730,-0.730,-0.731,-0.731,-0.731,-0.732,\n &-0.732,-0.732,-0.733,-0.733,-0.733,-0.733,-0.734,-0.734,-0.734,\n &-0.735,-0.735,-0.735,-0.736,-0.736,-0.736,-0.737,-0.737,-0.737,\n &-0.738,-0.738,-0.738,-0.739,-0.739,-0.740,-0.740,-0.740,-0.741,\n &-0.741,-0.741,-0.742,-0.742,-0.742,-0.743,-0.743,-0.743,-0.744,\n &-0.744,-0.744,-0.745,-0.745,-0.749,-0.753,-0.756,-0.760,-0.764,\n &-0.768,-0.772,-0.776,-0.780,-0.784,-0.788,-0.793,-0.797,-0.801,\n &-0.806,-0.810,-0.815,-0.820,-0.824,-0.829,-0.834,-0.839,-0.844,\n &-0.848,-0.853,-0.858,-0.863,-0.869,-0.874,-0.879,-0.884,-0.889,\n &-0.895,-0.900,-0.905,-0.911,-0.916,-0.922,-0.927,-0.933,-0.938,\n &-0.944,-0.950,-0.955,-0.961,-0.967,-0.972,-0.978,-0.984,-0.990,\n &-0.996,-1.002,-1.008,-1.014,-1.020,-1.026,-1.032,-1.038,-1.044,\n &-1.050,-1.056,-1.062,-1.068,-1.075,-1.081,-1.087,-1.093,-1.100,\n &-1.106,-1.112,-1.119,-1.125,-1.131,-1.138,-1.144,-1.151,-1.157,\n &-1.164,-1.170,-1.177,-1.183,-1.190,-1.196,-1.203,-1.209,-1.216,\n &-1.223,-1.229,-1.236,-1.243,-1.249,-1.256,-1.263,-1.270,-1.276,\n &-1.283,-1.290,-1.297,-1.304,-1.310,-1.317,-1.324,-1.331,-1.338,\n &-1.345,-1.352,-1.359,-1.365,-1.372,-1.379,-1.386,-1.393,-1.400,\n &-1.407,-1.414,-1.421,-1.428,-1.435,-1.442,-1.450,-1.457,-1.464,\n &-1.471,-1.478,-1.485,-1.492,-1.499,-1.506,-1.514,-1.521,-1.528,\n &-1.535,-1.542,-1.549,-1.557,-1.564,-1.571,-1.578,-1.586,-1.593,\n &-1.600,-1.607,-1.615,-1.622,-1.629,-1.636,-1.644,-1.651,-1.658,\n &-1.666,-1.673,-1.680,-1.688,-1.695,-1.702,-1.710,-1.717,-1.725,\n &-1.732,-1.739,-1.747\n & /\nC\nC *** CASO4\nC\n DATA BNC14M/\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000\n & /\nC\nC *** CANO32\nC\n DATA BNC15M/\n &-0.101,-0.216,-0.271,-0.308,-0.337,-0.360,-0.379,-0.396,-0.410,\n &-0.422,-0.433,-0.443,-0.452,-0.460,-0.468,-0.475,-0.481,-0.487,\n &-0.492,-0.497,-0.502,-0.506,-0.510,-0.514,-0.517,-0.520,-0.524,\n &-0.526,-0.529,-0.532,-0.534,-0.537,-0.539,-0.541,-0.543,-0.545,\n &-0.547,-0.549,-0.550,-0.552,-0.553,-0.555,-0.556,-0.558,-0.559,\n &-0.560,-0.561,-0.563,-0.564,-0.565,-0.566,-0.567,-0.568,-0.569,\n &-0.570,-0.571,-0.572,-0.572,-0.573,-0.574,-0.575,-0.576,-0.576,\n &-0.577,-0.578,-0.578,-0.579,-0.580,-0.580,-0.581,-0.581,-0.582,\n &-0.582,-0.583,-0.583,-0.584,-0.584,-0.585,-0.585,-0.585,-0.586,\n &-0.586,-0.586,-0.586,-0.587,-0.587,-0.587,-0.587,-0.587,-0.587,\n &-0.587,-0.588,-0.588,-0.588,-0.588,-0.588,-0.587,-0.587,-0.587,\n &-0.587,-0.587,-0.587,-0.587,-0.587,-0.586,-0.586,-0.586,-0.586,\n &-0.585,-0.585,-0.585,-0.585,-0.584,-0.584,-0.584,-0.583,-0.583,\n &-0.583,-0.582,-0.582,-0.581,-0.581,-0.581,-0.580,-0.580,-0.579,\n &-0.579,-0.579,-0.578,-0.578,-0.577,-0.577,-0.576,-0.576,-0.576,\n &-0.575,-0.575,-0.574,-0.574,-0.573,-0.573,-0.572,-0.572,-0.571,\n &-0.571,-0.570,-0.570,-0.570,-0.569,-0.569,-0.568,-0.568,-0.567,\n &-0.567,-0.566,-0.566,-0.565,-0.565,-0.564,-0.564,-0.563,-0.563,\n &-0.562,-0.562,-0.562,-0.561,-0.561,-0.560,-0.560,-0.559,-0.559,\n &-0.558,-0.558,-0.557,-0.557,-0.556,-0.556,-0.555,-0.555,-0.554,\n &-0.554,-0.554,-0.553,-0.553,-0.552,-0.552,-0.551,-0.551,-0.550,\n &-0.550,-0.549,-0.549,-0.548,-0.548,-0.548,-0.547,-0.547,-0.546,\n &-0.546,-0.545,-0.545,-0.544,-0.544,-0.544,-0.543,-0.543,-0.542,\n &-0.542,-0.541,-0.541,-0.540,-0.540,-0.540,-0.539,-0.539,-0.538,\n &-0.538,-0.537,-0.537,-0.537,-0.536,-0.536,-0.535,-0.535,-0.535,\n &-0.534,-0.534,-0.533,-0.533,-0.533,-0.532,-0.532,-0.531,-0.531,\n &-0.531,-0.530,-0.530,-0.529,-0.529,-0.529,-0.528,-0.528,-0.527,\n &-0.527,-0.527,-0.526,-0.526,-0.525,-0.525,-0.525,-0.524,-0.524,\n &-0.524,-0.523,-0.523,-0.523,-0.522,-0.522,-0.521,-0.521,-0.521,\n &-0.520,-0.520,-0.520,-0.519,-0.519,-0.519,-0.518,-0.518,-0.518,\n &-0.517,-0.517,-0.517,-0.516,-0.516,-0.516,-0.515,-0.515,-0.515,\n &-0.514,-0.514,-0.514,-0.513,-0.513,-0.513,-0.512,-0.512,-0.512,\n &-0.512,-0.511,-0.511,-0.511,-0.510,-0.510,-0.510,-0.509,-0.509,\n &-0.509,-0.509,-0.508,-0.508,-0.508,-0.507,-0.507,-0.507,-0.507,\n &-0.506,-0.506,-0.506,-0.506,-0.505,-0.505,-0.505,-0.504,-0.504,\n &-0.504,-0.504,-0.503,-0.503,-0.503,-0.503,-0.502,-0.502,-0.502,\n &-0.502,-0.501,-0.501,-0.501,-0.501,-0.501,-0.500,-0.500,-0.500,\n &-0.500,-0.499,-0.499,-0.499,-0.499,-0.499,-0.498,-0.498,-0.498,\n &-0.498,-0.497,-0.497,-0.497,-0.497,-0.497,-0.496,-0.496,-0.496,\n &-0.496,-0.496,-0.495,-0.495,-0.495,-0.495,-0.495,-0.495,-0.494,\n &-0.494,-0.494,-0.494,-0.494,-0.493,-0.493,-0.493,-0.493,-0.493,\n &-0.493,-0.492,-0.492,-0.492,-0.492,-0.492,-0.492,-0.491,-0.491,\n &-0.491,-0.491,-0.491,-0.491,-0.491,-0.490,-0.490,-0.490,-0.490,\n &-0.490,-0.490,-0.490,-0.489,-0.489,-0.489,-0.489,-0.489,-0.489,\n &-0.489,-0.489,-0.488,-0.488,-0.487,-0.486,-0.485,-0.485,-0.484,\n &-0.484,-0.484,-0.484,-0.484,-0.484,-0.484,-0.485,-0.485,-0.486,\n &-0.487,-0.488,-0.489,-0.490,-0.491,-0.492,-0.494,-0.495,-0.497,\n &-0.499,-0.501,-0.503,-0.505,-0.507,-0.509,-0.511,-0.514,-0.516,\n &-0.519,-0.522,-0.524,-0.527,-0.530,-0.533,-0.536,-0.539,-0.543,\n &-0.546,-0.549,-0.553,-0.556,-0.560,-0.563,-0.567,-0.571,-0.575,\n &-0.578,-0.582,-0.586,-0.590,-0.595,-0.599,-0.603,-0.607,-0.612,\n &-0.616,-0.620,-0.625,-0.629,-0.634,-0.639,-0.643,-0.648,-0.653,\n &-0.658,-0.663,-0.668,-0.673,-0.678,-0.683,-0.688,-0.693,-0.698,\n &-0.703,-0.709,-0.714,-0.719,-0.725,-0.730,-0.736,-0.741,-0.747,\n &-0.752,-0.758,-0.764,-0.769,-0.775,-0.781,-0.787,-0.792,-0.798,\n &-0.804,-0.810,-0.816,-0.822,-0.828,-0.834,-0.840,-0.846,-0.853,\n &-0.859,-0.865,-0.871,-0.877,-0.884,-0.890,-0.896,-0.903,-0.909,\n &-0.916,-0.922,-0.929,-0.935,-0.942,-0.948,-0.955,-0.961,-0.968,\n &-0.975,-0.981,-0.988,-0.995,-1.001,-1.008,-1.015,-1.022,-1.029,\n &-1.036,-1.042,-1.049,-1.056,-1.063,-1.070,-1.077,-1.084,-1.091,\n &-1.098,-1.105,-1.112,-1.119,-1.127,-1.134,-1.141,-1.148,-1.155,\n &-1.162,-1.170,-1.177,-1.184,-1.191,-1.199,-1.206,-1.213,-1.221,\n &-1.228,-1.235,-1.243\n & /\nC\nC *** CACL2\nC\n DATA BNC16M/\n &-0.099,-0.205,-0.252,-0.282,-0.304,-0.320,-0.332,-0.342,-0.350,\n &-0.356,-0.361,-0.364,-0.367,-0.369,-0.370,-0.371,-0.371,-0.371,\n &-0.370,-0.370,-0.368,-0.367,-0.365,-0.363,-0.361,-0.358,-0.356,\n &-0.353,-0.350,-0.347,-0.344,-0.341,-0.337,-0.334,-0.330,-0.327,\n &-0.323,-0.320,-0.316,-0.312,-0.308,-0.305,-0.301,-0.297,-0.293,\n &-0.289,-0.285,-0.281,-0.277,-0.273,-0.269,-0.265,-0.262,-0.258,\n &-0.254,-0.250,-0.246,-0.242,-0.238,-0.234,-0.230,-0.226,-0.222,\n &-0.218,-0.213,-0.209,-0.205,-0.201,-0.197,-0.193,-0.189,-0.185,\n &-0.181,-0.176,-0.172,-0.168,-0.164,-0.160,-0.155,-0.151,-0.146,\n &-0.142,-0.138,-0.133,-0.129,-0.124,-0.120,-0.115,-0.110,-0.106,\n &-0.101,-0.096,-0.091,-0.086,-0.082,-0.077,-0.072,-0.067,-0.062,\n &-0.057,-0.052,-0.047,-0.042,-0.036,-0.031,-0.026,-0.021,-0.016,\n &-0.010,-0.005, 0.000, 0.005, 0.011, 0.016, 0.021, 0.027, 0.032,\n & 0.037, 0.043, 0.048, 0.054, 0.059, 0.064, 0.070, 0.075, 0.081,\n & 0.086, 0.092, 0.097, 0.102, 0.108, 0.113, 0.119, 0.124, 0.129,\n & 0.135, 0.140, 0.146, 0.151, 0.156, 0.162, 0.167, 0.173, 0.178,\n & 0.183, 0.189, 0.194, 0.199, 0.205, 0.210, 0.215, 0.221, 0.226,\n & 0.231, 0.237, 0.242, 0.247, 0.252, 0.258, 0.263, 0.268, 0.273,\n & 0.279, 0.284, 0.289, 0.294, 0.299, 0.305, 0.310, 0.315, 0.320,\n & 0.325, 0.331, 0.336, 0.341, 0.346, 0.351, 0.356, 0.361, 0.366,\n & 0.371, 0.377, 0.382, 0.387, 0.392, 0.397, 0.402, 0.407, 0.412,\n & 0.417, 0.422, 0.427, 0.432, 0.437, 0.442, 0.447, 0.452, 0.457,\n & 0.462, 0.467, 0.472, 0.476, 0.481, 0.486, 0.491, 0.496, 0.501,\n & 0.506, 0.511, 0.515, 0.520, 0.525, 0.530, 0.535, 0.539, 0.544,\n & 0.549, 0.554, 0.559, 0.563, 0.568, 0.573, 0.578, 0.582, 0.587,\n & 0.592, 0.596, 0.601, 0.606, 0.610, 0.615, 0.620, 0.624, 0.629,\n & 0.634, 0.638, 0.643, 0.647, 0.652, 0.657, 0.661, 0.666, 0.670,\n & 0.675, 0.679, 0.684, 0.688, 0.693, 0.697, 0.702, 0.706, 0.711,\n & 0.715, 0.720, 0.724, 0.729, 0.733, 0.737, 0.742, 0.746, 0.751,\n & 0.755, 0.759, 0.764, 0.768, 0.773, 0.777, 0.781, 0.786, 0.790,\n & 0.794, 0.798, 0.803, 0.807, 0.811, 0.816, 0.820, 0.824, 0.828,\n & 0.833, 0.837, 0.841, 0.845, 0.849, 0.854, 0.858, 0.862, 0.866,\n & 0.870, 0.874, 0.879, 0.883, 0.887, 0.891, 0.895, 0.899, 0.903,\n & 0.907, 0.912, 0.916, 0.920, 0.924, 0.928, 0.932, 0.936, 0.940,\n & 0.944, 0.948, 0.952, 0.956, 0.960, 0.964, 0.968, 0.972, 0.976,\n & 0.980, 0.984, 0.988, 0.992, 0.995, 0.999, 1.003, 1.007, 1.011,\n & 1.015, 1.019, 1.023, 1.026, 1.030, 1.034, 1.038, 1.042, 1.046,\n & 1.049, 1.053, 1.057, 1.061, 1.065, 1.068, 1.072, 1.076, 1.080,\n & 1.083, 1.087, 1.091, 1.095, 1.098, 1.102, 1.106, 1.109, 1.113,\n & 1.117, 1.120, 1.124, 1.128, 1.131, 1.135, 1.139, 1.142, 1.146,\n & 1.150, 1.153, 1.157, 1.160, 1.164, 1.168, 1.171, 1.175, 1.178,\n & 1.182, 1.185, 1.189, 1.192, 1.196, 1.200, 1.203, 1.207, 1.210,\n & 1.214, 1.217, 1.221, 1.224, 1.227, 1.231, 1.234, 1.238, 1.241,\n & 1.245, 1.248, 1.252, 1.255, 1.258, 1.262, 1.265, 1.269, 1.272,\n & 1.275, 1.279, 1.282, 1.285, 1.321, 1.354, 1.386, 1.417, 1.448,\n & 1.478, 1.508, 1.537, 1.565, 1.593, 1.621, 1.648, 1.674, 1.700,\n & 1.726, 1.751, 1.776, 1.800, 1.824, 1.848, 1.871, 1.893, 1.916,\n & 1.938, 1.959, 1.980, 2.001, 2.022, 2.042, 2.061, 2.081, 2.100,\n & 2.119, 2.137, 2.156, 2.173, 2.191, 2.208, 2.225, 2.242, 2.259,\n & 2.275, 2.291, 2.307, 2.322, 2.337, 2.352, 2.367, 2.382, 2.396,\n & 2.410, 2.424, 2.438, 2.451, 2.464, 2.477, 2.490, 2.502, 2.515,\n & 2.527, 2.539, 2.551, 2.562, 2.574, 2.585, 2.596, 2.607, 2.618,\n & 2.628, 2.639, 2.649, 2.659, 2.669, 2.679, 2.688, 2.698, 2.707,\n & 2.716, 2.725, 2.734, 2.743, 2.751, 2.760, 2.768, 2.776, 2.784,\n & 2.792, 2.800, 2.808, 2.815, 2.823, 2.830, 2.837, 2.844, 2.851,\n & 2.858, 2.865, 2.871, 2.878, 2.884, 2.890, 2.896, 2.902, 2.908,\n & 2.914, 2.920, 2.925, 2.931, 2.936, 2.942, 2.947, 2.952, 2.957,\n & 2.962, 2.967, 2.972, 2.976, 2.981, 2.985, 2.990, 2.994, 2.998,\n & 3.003, 3.007, 3.011, 3.014, 3.018, 3.022, 3.026, 3.029, 3.033,\n & 3.036, 3.040, 3.043, 3.046, 3.049, 3.052, 3.055, 3.058, 3.061,\n & 3.064, 3.066, 3.069, 3.072, 3.074, 3.077, 3.079, 3.081, 3.083,\n & 3.086, 3.088, 3.090, 3.092, 3.094, 3.096, 3.097, 3.099, 3.101,\n & 3.102, 3.104, 3.105\n & /\nC\nC *** K2SO4\nC\n DATA BNC17M/\n &-0.103,-0.226,-0.289,-0.334,-0.369,-0.399,-0.425,-0.448,-0.468,\n &-0.487,-0.505,-0.521,-0.536,-0.550,-0.563,-0.576,-0.588,-0.599,\n &-0.610,-0.621,-0.631,-0.641,-0.650,-0.659,-0.668,-0.677,-0.685,\n &-0.693,-0.701,-0.709,-0.717,-0.724,-0.731,-0.738,-0.745,-0.752,\n &-0.758,-0.765,-0.771,-0.777,-0.784,-0.790,-0.796,-0.801,-0.807,\n &-0.813,-0.818,-0.824,-0.829,-0.835,-0.840,-0.845,-0.850,-0.855,\n &-0.860,-0.865,-0.870,-0.875,-0.880,-0.884,-0.889,-0.894,-0.898,\n &-0.903,-0.907,-0.912,-0.916,-0.920,-0.925,-0.929,-0.933,-0.937,\n &-0.942,-0.946,-0.950,-0.954,-0.958,-0.962,-0.966,-0.970,-0.974,\n &-0.978,-0.982,-0.985,-0.989,-0.993,-0.997,-1.001,-1.004,-1.008,\n &-1.012,-1.016,-1.019,-1.023,-1.027,-1.030,-1.034,-1.037,-1.041,\n &-1.045,-1.048,-1.052,-1.055,-1.059,-1.062,-1.066,-1.069,-1.072,\n &-1.076,-1.079,-1.083,-1.086,-1.089,-1.093,-1.096,-1.099,-1.103,\n &-1.106,-1.109,-1.113,-1.116,-1.119,-1.122,-1.126,-1.129,-1.132,\n &-1.135,-1.138,-1.142,-1.145,-1.148,-1.151,-1.154,-1.157,-1.160,\n &-1.164,-1.167,-1.170,-1.173,-1.176,-1.179,-1.182,-1.185,-1.188,\n &-1.191,-1.194,-1.197,-1.200,-1.203,-1.206,-1.209,-1.212,-1.215,\n &-1.218,-1.221,-1.223,-1.226,-1.229,-1.232,-1.235,-1.238,-1.241,\n &-1.244,-1.246,-1.249,-1.252,-1.255,-1.258,-1.261,-1.263,-1.266,\n &-1.269,-1.272,-1.274,-1.277,-1.280,-1.283,-1.285,-1.288,-1.291,\n &-1.294,-1.296,-1.299,-1.302,-1.304,-1.307,-1.310,-1.313,-1.315,\n &-1.318,-1.321,-1.323,-1.326,-1.328,-1.331,-1.334,-1.336,-1.339,\n &-1.342,-1.344,-1.347,-1.349,-1.352,-1.355,-1.357,-1.360,-1.362,\n &-1.365,-1.367,-1.370,-1.373,-1.375,-1.378,-1.380,-1.383,-1.385,\n &-1.388,-1.390,-1.393,-1.395,-1.398,-1.400,-1.403,-1.405,-1.408,\n &-1.410,-1.413,-1.415,-1.418,-1.420,-1.423,-1.425,-1.427,-1.430,\n &-1.432,-1.435,-1.437,-1.440,-1.442,-1.445,-1.447,-1.449,-1.452,\n &-1.454,-1.457,-1.459,-1.461,-1.464,-1.466,-1.469,-1.471,-1.473,\n &-1.476,-1.478,-1.480,-1.483,-1.485,-1.487,-1.490,-1.492,-1.495,\n &-1.497,-1.499,-1.502,-1.504,-1.506,-1.509,-1.511,-1.513,-1.515,\n &-1.518,-1.520,-1.522,-1.525,-1.527,-1.529,-1.532,-1.534,-1.536,\n &-1.538,-1.541,-1.543,-1.545,-1.548,-1.550,-1.552,-1.554,-1.557,\n &-1.559,-1.561,-1.563,-1.566,-1.568,-1.570,-1.572,-1.575,-1.577,\n &-1.579,-1.581,-1.583,-1.586,-1.588,-1.590,-1.592,-1.595,-1.597,\n &-1.599,-1.601,-1.603,-1.606,-1.608,-1.610,-1.612,-1.614,-1.616,\n &-1.619,-1.621,-1.623,-1.625,-1.627,-1.630,-1.632,-1.634,-1.636,\n &-1.638,-1.640,-1.642,-1.645,-1.647,-1.649,-1.651,-1.653,-1.655,\n &-1.658,-1.660,-1.662,-1.664,-1.666,-1.668,-1.670,-1.672,-1.675,\n &-1.677,-1.679,-1.681,-1.683,-1.685,-1.687,-1.689,-1.691,-1.694,\n &-1.696,-1.698,-1.700,-1.702,-1.704,-1.706,-1.708,-1.710,-1.712,\n &-1.714,-1.717,-1.719,-1.721,-1.723,-1.725,-1.727,-1.729,-1.731,\n &-1.733,-1.735,-1.737,-1.739,-1.741,-1.743,-1.745,-1.748,-1.750,\n &-1.752,-1.754,-1.756,-1.758,-1.760,-1.762,-1.764,-1.766,-1.768,\n &-1.770,-1.772,-1.774,-1.776,-1.778,-1.780,-1.782,-1.784,-1.786,\n &-1.788,-1.790,-1.792,-1.794,-1.816,-1.836,-1.855,-1.875,-1.894,\n &-1.914,-1.933,-1.952,-1.971,-1.989,-2.008,-2.027,-2.045,-2.063,\n &-2.082,-2.100,-2.118,-2.136,-2.154,-2.171,-2.189,-2.207,-2.224,\n &-2.242,-2.259,-2.276,-2.293,-2.311,-2.328,-2.345,-2.362,-2.379,\n &-2.395,-2.412,-2.429,-2.446,-2.462,-2.479,-2.495,-2.512,-2.528,\n &-2.544,-2.561,-2.577,-2.593,-2.609,-2.625,-2.642,-2.658,-2.674,\n &-2.689,-2.705,-2.721,-2.737,-2.753,-2.768,-2.784,-2.800,-2.815,\n &-2.831,-2.847,-2.862,-2.878,-2.893,-2.908,-2.924,-2.939,-2.954,\n &-2.970,-2.985,-3.000,-3.015,-3.031,-3.046,-3.061,-3.076,-3.091,\n &-3.106,-3.121,-3.136,-3.151,-3.166,-3.181,-3.196,-3.210,-3.225,\n &-3.240,-3.255,-3.270,-3.284,-3.299,-3.314,-3.328,-3.343,-3.358,\n &-3.372,-3.387,-3.401,-3.416,-3.430,-3.445,-3.459,-3.474,-3.488,\n &-3.503,-3.517,-3.531,-3.546,-3.560,-3.574,-3.589,-3.603,-3.617,\n &-3.631,-3.646,-3.660,-3.674,-3.688,-3.702,-3.717,-3.731,-3.745,\n &-3.759,-3.773,-3.787,-3.801,-3.815,-3.829,-3.843,-3.857,-3.871,\n &-3.885,-3.899,-3.913,-3.927,-3.941,-3.955,-3.969,-3.982,-3.996,\n &-4.010,-4.024,-4.038,-4.051,-4.065,-4.079,-4.093,-4.107,-4.120,\n &-4.134,-4.148,-4.161,-4.175,-4.189,-4.202,-4.216,-4.230,-4.243,\n &-4.257,-4.271,-4.284\n & /\nC\nC *** KHSO4\nC\n DATA BNC18M/\n &-0.050,-0.106,-0.133,-0.152,-0.166,-0.177,-0.187,-0.195,-0.202,\n &-0.208,-0.214,-0.218,-0.223,-0.227,-0.230,-0.233,-0.236,-0.238,\n &-0.240,-0.242,-0.244,-0.246,-0.247,-0.248,-0.249,-0.250,-0.250,\n &-0.250,-0.251,-0.251,-0.251,-0.251,-0.250,-0.250,-0.249,-0.249,\n &-0.248,-0.247,-0.246,-0.245,-0.244,-0.242,-0.241,-0.240,-0.238,\n &-0.236,-0.235,-0.233,-0.231,-0.229,-0.227,-0.225,-0.223,-0.221,\n &-0.219,-0.216,-0.214,-0.212,-0.209,-0.207,-0.204,-0.202,-0.199,\n &-0.196,-0.193,-0.191,-0.188,-0.185,-0.182,-0.179,-0.176,-0.173,\n &-0.170,-0.167,-0.164,-0.161,-0.158,-0.154,-0.151,-0.148,-0.144,\n &-0.141,-0.138,-0.134,-0.131,-0.127,-0.124,-0.120,-0.116,-0.113,\n &-0.109,-0.105,-0.102,-0.098,-0.094,-0.090,-0.086,-0.082,-0.078,\n &-0.074,-0.071,-0.067,-0.063,-0.059,-0.054,-0.050,-0.046,-0.042,\n &-0.038,-0.034,-0.030,-0.026,-0.022,-0.017,-0.013,-0.009,-0.005,\n &-0.001, 0.004, 0.008, 0.012, 0.016, 0.020, 0.025, 0.029, 0.033,\n & 0.037, 0.041, 0.046, 0.050, 0.054, 0.058, 0.062, 0.067, 0.071,\n & 0.075, 0.079, 0.083, 0.087, 0.091, 0.096, 0.100, 0.104, 0.108,\n & 0.112, 0.116, 0.120, 0.124, 0.128, 0.132, 0.136, 0.141, 0.145,\n & 0.149, 0.153, 0.157, 0.161, 0.165, 0.169, 0.173, 0.176, 0.180,\n & 0.184, 0.188, 0.192, 0.196, 0.200, 0.204, 0.208, 0.212, 0.215,\n & 0.219, 0.223, 0.227, 0.231, 0.235, 0.238, 0.242, 0.246, 0.250,\n & 0.254, 0.257, 0.261, 0.265, 0.268, 0.272, 0.276, 0.280, 0.283,\n & 0.287, 0.291, 0.294, 0.298, 0.302, 0.305, 0.309, 0.312, 0.316,\n & 0.320, 0.323, 0.327, 0.330, 0.334, 0.337, 0.341, 0.344, 0.348,\n & 0.351, 0.355, 0.358, 0.362, 0.365, 0.369, 0.372, 0.376, 0.379,\n & 0.382, 0.386, 0.389, 0.393, 0.396, 0.399, 0.403, 0.406, 0.409,\n & 0.413, 0.416, 0.419, 0.423, 0.426, 0.429, 0.433, 0.436, 0.439,\n & 0.442, 0.446, 0.449, 0.452, 0.455, 0.459, 0.462, 0.465, 0.468,\n & 0.471, 0.475, 0.478, 0.481, 0.484, 0.487, 0.490, 0.493, 0.497,\n & 0.500, 0.503, 0.506, 0.509, 0.512, 0.515, 0.518, 0.521, 0.524,\n & 0.527, 0.530, 0.533, 0.536, 0.539, 0.542, 0.545, 0.548, 0.551,\n & 0.554, 0.557, 0.560, 0.563, 0.566, 0.569, 0.572, 0.575, 0.578,\n & 0.581, 0.584, 0.587, 0.590, 0.592, 0.595, 0.598, 0.601, 0.604,\n & 0.607, 0.610, 0.612, 0.615, 0.618, 0.621, 0.624, 0.627, 0.629,\n & 0.632, 0.635, 0.638, 0.640, 0.643, 0.646, 0.649, 0.651, 0.654,\n & 0.657, 0.660, 0.662, 0.665, 0.668, 0.671, 0.673, 0.676, 0.679,\n & 0.681, 0.684, 0.687, 0.689, 0.692, 0.695, 0.697, 0.700, 0.702,\n & 0.705, 0.708, 0.710, 0.713, 0.716, 0.718, 0.721, 0.723, 0.726,\n & 0.728, 0.731, 0.734, 0.736, 0.739, 0.741, 0.744, 0.746, 0.749,\n & 0.751, 0.754, 0.756, 0.759, 0.761, 0.764, 0.766, 0.769, 0.771,\n & 0.774, 0.776, 0.779, 0.781, 0.784, 0.786, 0.788, 0.791, 0.793,\n & 0.796, 0.798, 0.801, 0.803, 0.805, 0.808, 0.810, 0.813, 0.815,\n & 0.817, 0.820, 0.822, 0.824, 0.827, 0.829, 0.832, 0.834, 0.836,\n & 0.839, 0.841, 0.843, 0.846, 0.848, 0.850, 0.852, 0.855, 0.857,\n & 0.859, 0.862, 0.864, 0.866, 0.868, 0.871, 0.873, 0.875, 0.878,\n & 0.880, 0.882, 0.884, 0.887, 0.910, 0.932, 0.953, 0.974, 0.995,\n & 1.015, 1.034, 1.054, 1.072, 1.091, 1.109, 1.127, 1.145, 1.162,\n & 1.179, 1.196, 1.213, 1.229, 1.245, 1.260, 1.276, 1.291, 1.306,\n & 1.320, 1.335, 1.349, 1.363, 1.377, 1.390, 1.404, 1.417, 1.430,\n & 1.442, 1.455, 1.467, 1.479, 1.491, 1.503, 1.515, 1.526, 1.538,\n & 1.549, 1.560, 1.570, 1.581, 1.592, 1.602, 1.612, 1.622, 1.632,\n & 1.642, 1.652, 1.661, 1.671, 1.680, 1.689, 1.698, 1.707, 1.716,\n & 1.724, 1.733, 1.741, 1.750, 1.758, 1.766, 1.774, 1.782, 1.789,\n & 1.797, 1.805, 1.812, 1.820, 1.827, 1.834, 1.841, 1.848, 1.855,\n & 1.862, 1.868, 1.875, 1.882, 1.888, 1.894, 1.901, 1.907, 1.913,\n & 1.919, 1.925, 1.931, 1.937, 1.943, 1.948, 1.954, 1.959, 1.965,\n & 1.970, 1.976, 1.981, 1.986, 1.991, 1.996, 2.001, 2.006, 2.011,\n & 2.016, 2.020, 2.025, 2.030, 2.034, 2.039, 2.043, 2.048, 2.052,\n & 2.056, 2.060, 2.064, 2.069, 2.073, 2.077, 2.080, 2.084, 2.088,\n & 2.092, 2.096, 2.099, 2.103, 2.107, 2.110, 2.114, 2.117, 2.120,\n & 2.124, 2.127, 2.130, 2.133, 2.137, 2.140, 2.143, 2.146, 2.149,\n & 2.152, 2.155, 2.158, 2.160, 2.163, 2.166, 2.169, 2.171, 2.174,\n & 2.176, 2.179, 2.181, 2.184, 2.186, 2.189, 2.191, 2.193, 2.196,\n & 2.198, 2.200, 2.202\n & /\nC\nC *** KNO3\nC\n DATA BNC19M/\n &-0.053,-0.124,-0.164,-0.194,-0.219,-0.242,-0.262,-0.281,-0.298,\n &-0.314,-0.330,-0.345,-0.359,-0.372,-0.385,-0.398,-0.411,-0.423,\n &-0.434,-0.446,-0.457,-0.468,-0.478,-0.489,-0.499,-0.509,-0.519,\n &-0.528,-0.538,-0.547,-0.556,-0.565,-0.574,-0.583,-0.592,-0.600,\n &-0.608,-0.617,-0.625,-0.633,-0.641,-0.648,-0.656,-0.664,-0.671,\n &-0.678,-0.686,-0.693,-0.700,-0.707,-0.714,-0.721,-0.727,-0.734,\n &-0.741,-0.747,-0.754,-0.760,-0.766,-0.773,-0.779,-0.785,-0.791,\n &-0.797,-0.803,-0.809,-0.815,-0.821,-0.827,-0.832,-0.838,-0.844,\n &-0.849,-0.855,-0.861,-0.866,-0.872,-0.877,-0.883,-0.888,-0.894,\n &-0.899,-0.904,-0.910,-0.915,-0.920,-0.926,-0.931,-0.936,-0.942,\n &-0.947,-0.952,-0.957,-0.963,-0.968,-0.973,-0.978,-0.983,-0.988,\n &-0.994,-0.999,-1.004,-1.009,-1.014,-1.019,-1.024,-1.029,-1.034,\n &-1.039,-1.044,-1.049,-1.054,-1.059,-1.064,-1.069,-1.074,-1.079,\n &-1.083,-1.088,-1.093,-1.098,-1.103,-1.107,-1.112,-1.117,-1.122,\n &-1.126,-1.131,-1.136,-1.140,-1.145,-1.149,-1.154,-1.158,-1.163,\n &-1.168,-1.172,-1.176,-1.181,-1.185,-1.190,-1.194,-1.199,-1.203,\n &-1.207,-1.212,-1.216,-1.220,-1.224,-1.229,-1.233,-1.237,-1.241,\n &-1.245,-1.250,-1.254,-1.258,-1.262,-1.266,-1.270,-1.274,-1.278,\n &-1.282,-1.286,-1.290,-1.294,-1.298,-1.302,-1.306,-1.310,-1.314,\n &-1.318,-1.321,-1.325,-1.329,-1.333,-1.337,-1.341,-1.344,-1.348,\n &-1.352,-1.355,-1.359,-1.363,-1.367,-1.370,-1.374,-1.378,-1.381,\n &-1.385,-1.388,-1.392,-1.395,-1.399,-1.403,-1.406,-1.410,-1.413,\n &-1.417,-1.420,-1.423,-1.427,-1.430,-1.434,-1.437,-1.441,-1.444,\n &-1.447,-1.451,-1.454,-1.457,-1.461,-1.464,-1.467,-1.470,-1.474,\n &-1.477,-1.480,-1.483,-1.487,-1.490,-1.493,-1.496,-1.499,-1.503,\n &-1.506,-1.509,-1.512,-1.515,-1.518,-1.521,-1.524,-1.528,-1.531,\n &-1.534,-1.537,-1.540,-1.543,-1.546,-1.549,-1.552,-1.555,-1.558,\n &-1.561,-1.564,-1.566,-1.569,-1.572,-1.575,-1.578,-1.581,-1.584,\n &-1.587,-1.590,-1.592,-1.595,-1.598,-1.601,-1.604,-1.607,-1.609,\n &-1.612,-1.615,-1.618,-1.620,-1.623,-1.626,-1.629,-1.631,-1.634,\n &-1.637,-1.639,-1.642,-1.645,-1.647,-1.650,-1.653,-1.655,-1.658,\n &-1.661,-1.663,-1.666,-1.668,-1.671,-1.674,-1.676,-1.679,-1.681,\n &-1.684,-1.686,-1.689,-1.691,-1.694,-1.696,-1.699,-1.701,-1.704,\n &-1.706,-1.709,-1.711,-1.714,-1.716,-1.719,-1.721,-1.724,-1.726,\n &-1.728,-1.731,-1.733,-1.736,-1.738,-1.740,-1.743,-1.745,-1.747,\n &-1.750,-1.752,-1.754,-1.757,-1.759,-1.761,-1.764,-1.766,-1.768,\n &-1.771,-1.773,-1.775,-1.777,-1.780,-1.782,-1.784,-1.786,-1.789,\n &-1.791,-1.793,-1.795,-1.797,-1.800,-1.802,-1.804,-1.806,-1.808,\n &-1.811,-1.813,-1.815,-1.817,-1.819,-1.821,-1.823,-1.826,-1.828,\n &-1.830,-1.832,-1.834,-1.836,-1.838,-1.840,-1.842,-1.844,-1.847,\n &-1.849,-1.851,-1.853,-1.855,-1.857,-1.859,-1.861,-1.863,-1.865,\n &-1.867,-1.869,-1.871,-1.873,-1.875,-1.877,-1.879,-1.881,-1.883,\n &-1.885,-1.887,-1.889,-1.891,-1.893,-1.895,-1.897,-1.898,-1.900,\n &-1.902,-1.904,-1.906,-1.908,-1.910,-1.912,-1.914,-1.916,-1.917,\n &-1.919,-1.921,-1.923,-1.925,-1.945,-1.963,-1.980,-1.997,-2.014,\n &-2.030,-2.046,-2.062,-2.077,-2.092,-2.107,-2.122,-2.136,-2.150,\n &-2.163,-2.177,-2.190,-2.203,-2.216,-2.228,-2.241,-2.253,-2.265,\n &-2.277,-2.289,-2.300,-2.311,-2.323,-2.334,-2.345,-2.356,-2.366,\n &-2.377,-2.387,-2.398,-2.408,-2.418,-2.428,-2.438,-2.448,-2.457,\n &-2.467,-2.477,-2.486,-2.496,-2.505,-2.514,-2.523,-2.532,-2.541,\n &-2.550,-2.559,-2.568,-2.577,-2.586,-2.594,-2.603,-2.611,-2.620,\n &-2.628,-2.637,-2.645,-2.653,-2.662,-2.670,-2.678,-2.686,-2.694,\n &-2.702,-2.710,-2.718,-2.726,-2.734,-2.742,-2.750,-2.758,-2.765,\n &-2.773,-2.781,-2.789,-2.796,-2.804,-2.811,-2.819,-2.827,-2.834,\n &-2.842,-2.849,-2.857,-2.864,-2.871,-2.879,-2.886,-2.893,-2.901,\n &-2.908,-2.915,-2.923,-2.930,-2.937,-2.944,-2.951,-2.959,-2.966,\n &-2.973,-2.980,-2.987,-2.994,-3.001,-3.008,-3.015,-3.022,-3.029,\n &-3.036,-3.043,-3.050,-3.057,-3.064,-3.071,-3.078,-3.085,-3.092,\n &-3.099,-3.106,-3.113,-3.119,-3.126,-3.133,-3.140,-3.147,-3.154,\n &-3.160,-3.167,-3.174,-3.181,-3.187,-3.194,-3.201,-3.208,-3.214,\n &-3.221,-3.228,-3.234,-3.241,-3.248,-3.254,-3.261,-3.268,-3.274,\n &-3.281,-3.287,-3.294,-3.301,-3.307,-3.314,-3.320,-3.327,-3.334,\n &-3.340,-3.347,-3.353\n & /\nC\nC *** KCL\nC\n DATA BNC20M/\n &-0.051,-0.108,-0.135,-0.154,-0.169,-0.180,-0.190,-0.198,-0.205,\n &-0.211,-0.217,-0.222,-0.226,-0.231,-0.234,-0.238,-0.241,-0.244,\n &-0.246,-0.249,-0.251,-0.253,-0.255,-0.257,-0.259,-0.261,-0.262,\n &-0.264,-0.265,-0.267,-0.268,-0.269,-0.270,-0.271,-0.272,-0.273,\n &-0.274,-0.275,-0.276,-0.277,-0.278,-0.278,-0.279,-0.280,-0.280,\n &-0.281,-0.282,-0.282,-0.283,-0.283,-0.284,-0.285,-0.285,-0.286,\n &-0.286,-0.287,-0.287,-0.287,-0.288,-0.288,-0.289,-0.289,-0.289,\n &-0.290,-0.290,-0.291,-0.291,-0.291,-0.292,-0.292,-0.292,-0.292,\n &-0.293,-0.293,-0.293,-0.293,-0.294,-0.294,-0.294,-0.294,-0.294,\n &-0.295,-0.295,-0.295,-0.295,-0.295,-0.295,-0.295,-0.295,-0.295,\n &-0.295,-0.296,-0.296,-0.296,-0.296,-0.296,-0.296,-0.296,-0.296,\n &-0.295,-0.295,-0.295,-0.295,-0.295,-0.295,-0.295,-0.295,-0.295,\n &-0.295,-0.295,-0.294,-0.294,-0.294,-0.294,-0.294,-0.294,-0.294,\n &-0.293,-0.293,-0.293,-0.293,-0.293,-0.293,-0.292,-0.292,-0.292,\n &-0.292,-0.292,-0.291,-0.291,-0.291,-0.291,-0.291,-0.290,-0.290,\n &-0.290,-0.290,-0.290,-0.289,-0.289,-0.289,-0.289,-0.289,-0.288,\n &-0.288,-0.288,-0.288,-0.287,-0.287,-0.287,-0.287,-0.287,-0.286,\n &-0.286,-0.286,-0.286,-0.285,-0.285,-0.285,-0.285,-0.285,-0.284,\n &-0.284,-0.284,-0.284,-0.283,-0.283,-0.283,-0.283,-0.283,-0.282,\n &-0.282,-0.282,-0.282,-0.281,-0.281,-0.281,-0.281,-0.281,-0.280,\n &-0.280,-0.280,-0.280,-0.279,-0.279,-0.279,-0.279,-0.279,-0.278,\n &-0.278,-0.278,-0.278,-0.278,-0.277,-0.277,-0.277,-0.277,-0.276,\n &-0.276,-0.276,-0.276,-0.276,-0.275,-0.275,-0.275,-0.275,-0.275,\n &-0.274,-0.274,-0.274,-0.274,-0.274,-0.273,-0.273,-0.273,-0.273,\n &-0.273,-0.272,-0.272,-0.272,-0.272,-0.272,-0.271,-0.271,-0.271,\n &-0.271,-0.271,-0.270,-0.270,-0.270,-0.270,-0.270,-0.270,-0.269,\n &-0.269,-0.269,-0.269,-0.269,-0.268,-0.268,-0.268,-0.268,-0.268,\n &-0.268,-0.267,-0.267,-0.267,-0.267,-0.267,-0.266,-0.266,-0.266,\n &-0.266,-0.266,-0.266,-0.265,-0.265,-0.265,-0.265,-0.265,-0.265,\n &-0.264,-0.264,-0.264,-0.264,-0.264,-0.264,-0.263,-0.263,-0.263,\n &-0.263,-0.263,-0.263,-0.263,-0.262,-0.262,-0.262,-0.262,-0.262,\n &-0.262,-0.261,-0.261,-0.261,-0.261,-0.261,-0.261,-0.261,-0.260,\n &-0.260,-0.260,-0.260,-0.260,-0.260,-0.260,-0.260,-0.259,-0.259,\n &-0.259,-0.259,-0.259,-0.259,-0.259,-0.258,-0.258,-0.258,-0.258,\n &-0.258,-0.258,-0.258,-0.258,-0.257,-0.257,-0.257,-0.257,-0.257,\n &-0.257,-0.257,-0.257,-0.257,-0.256,-0.256,-0.256,-0.256,-0.256,\n &-0.256,-0.256,-0.256,-0.256,-0.255,-0.255,-0.255,-0.255,-0.255,\n &-0.255,-0.255,-0.255,-0.255,-0.255,-0.254,-0.254,-0.254,-0.254,\n &-0.254,-0.254,-0.254,-0.254,-0.254,-0.254,-0.253,-0.253,-0.253,\n &-0.253,-0.253,-0.253,-0.253,-0.253,-0.253,-0.253,-0.253,-0.253,\n &-0.252,-0.252,-0.252,-0.252,-0.252,-0.252,-0.252,-0.252,-0.252,\n &-0.252,-0.252,-0.252,-0.252,-0.252,-0.251,-0.251,-0.251,-0.251,\n &-0.251,-0.251,-0.251,-0.251,-0.251,-0.251,-0.251,-0.251,-0.251,\n &-0.251,-0.251,-0.251,-0.250,-0.250,-0.250,-0.250,-0.250,-0.250,\n &-0.250,-0.250,-0.250,-0.250,-0.250,-0.249,-0.249,-0.249,-0.248,\n &-0.248,-0.248,-0.248,-0.249,-0.249,-0.249,-0.249,-0.250,-0.250,\n &-0.251,-0.251,-0.252,-0.252,-0.253,-0.254,-0.255,-0.255,-0.256,\n &-0.257,-0.258,-0.259,-0.261,-0.262,-0.263,-0.264,-0.265,-0.267,\n &-0.268,-0.269,-0.271,-0.272,-0.274,-0.276,-0.277,-0.279,-0.280,\n &-0.282,-0.284,-0.286,-0.287,-0.289,-0.291,-0.293,-0.295,-0.297,\n &-0.299,-0.301,-0.303,-0.305,-0.307,-0.309,-0.312,-0.314,-0.316,\n &-0.318,-0.321,-0.323,-0.325,-0.328,-0.330,-0.332,-0.335,-0.337,\n &-0.340,-0.342,-0.345,-0.347,-0.350,-0.352,-0.355,-0.358,-0.360,\n &-0.363,-0.366,-0.368,-0.371,-0.374,-0.377,-0.379,-0.382,-0.385,\n &-0.388,-0.391,-0.394,-0.396,-0.399,-0.402,-0.405,-0.408,-0.411,\n &-0.414,-0.417,-0.420,-0.423,-0.426,-0.429,-0.432,-0.436,-0.439,\n &-0.442,-0.445,-0.448,-0.451,-0.454,-0.458,-0.461,-0.464,-0.467,\n &-0.471,-0.474,-0.477,-0.480,-0.484,-0.487,-0.490,-0.494,-0.497,\n &-0.500,-0.504,-0.507,-0.511,-0.514,-0.517,-0.521,-0.524,-0.528,\n &-0.531,-0.535,-0.538,-0.542,-0.545,-0.549,-0.552,-0.556,-0.559,\n &-0.563,-0.566,-0.570,-0.574,-0.577,-0.581,-0.584,-0.588,-0.592,\n &-0.595,-0.599,-0.603,-0.606,-0.610,-0.614,-0.617,-0.621,-0.625,\n &-0.628,-0.632,-0.636\n & /\nC\nC *** MGSO4\nC\n DATA BNC21M/\n &-0.205,-0.445,-0.564,-0.649,-0.715,-0.770,-0.817,-0.858,-0.895,\n &-0.928,-0.958,-0.986,-1.012,-1.036,-1.058,-1.079,-1.099,-1.118,\n &-1.136,-1.153,-1.170,-1.185,-1.200,-1.215,-1.229,-1.242,-1.255,\n &-1.268,-1.280,-1.292,-1.303,-1.315,-1.325,-1.336,-1.346,-1.357,\n &-1.366,-1.376,-1.386,-1.395,-1.404,-1.413,-1.421,-1.430,-1.438,\n &-1.447,-1.455,-1.463,-1.471,-1.478,-1.486,-1.494,-1.501,-1.508,\n &-1.515,-1.523,-1.530,-1.536,-1.543,-1.550,-1.557,-1.563,-1.570,\n &-1.576,-1.583,-1.589,-1.595,-1.601,-1.607,-1.613,-1.619,-1.625,\n &-1.631,-1.637,-1.643,-1.648,-1.654,-1.659,-1.665,-1.670,-1.676,\n &-1.681,-1.687,-1.692,-1.697,-1.702,-1.707,-1.713,-1.718,-1.723,\n &-1.728,-1.733,-1.738,-1.742,-1.747,-1.752,-1.757,-1.762,-1.766,\n &-1.771,-1.776,-1.780,-1.785,-1.789,-1.794,-1.798,-1.803,-1.807,\n &-1.812,-1.816,-1.820,-1.825,-1.829,-1.833,-1.838,-1.842,-1.846,\n &-1.850,-1.854,-1.858,-1.863,-1.867,-1.871,-1.875,-1.879,-1.883,\n &-1.887,-1.891,-1.895,-1.899,-1.903,-1.907,-1.911,-1.915,-1.919,\n &-1.922,-1.926,-1.930,-1.934,-1.938,-1.942,-1.945,-1.949,-1.953,\n &-1.957,-1.960,-1.964,-1.968,-1.972,-1.975,-1.979,-1.983,-1.986,\n &-1.990,-1.994,-1.997,-2.001,-2.004,-2.008,-2.012,-2.015,-2.019,\n &-2.022,-2.026,-2.029,-2.033,-2.036,-2.040,-2.043,-2.047,-2.050,\n &-2.054,-2.057,-2.061,-2.064,-2.068,-2.071,-2.074,-2.078,-2.081,\n &-2.085,-2.088,-2.091,-2.095,-2.098,-2.102,-2.105,-2.108,-2.112,\n &-2.115,-2.118,-2.122,-2.125,-2.128,-2.132,-2.135,-2.138,-2.141,\n &-2.145,-2.148,-2.151,-2.154,-2.158,-2.161,-2.164,-2.167,-2.171,\n &-2.174,-2.177,-2.180,-2.184,-2.187,-2.190,-2.193,-2.196,-2.200,\n &-2.203,-2.206,-2.209,-2.212,-2.215,-2.219,-2.222,-2.225,-2.228,\n &-2.231,-2.234,-2.237,-2.241,-2.244,-2.247,-2.250,-2.253,-2.256,\n &-2.259,-2.262,-2.265,-2.269,-2.272,-2.275,-2.278,-2.281,-2.284,\n &-2.287,-2.290,-2.293,-2.296,-2.299,-2.302,-2.305,-2.308,-2.311,\n &-2.314,-2.317,-2.320,-2.324,-2.327,-2.330,-2.333,-2.336,-2.339,\n &-2.342,-2.345,-2.348,-2.351,-2.354,-2.357,-2.360,-2.363,-2.366,\n &-2.369,-2.371,-2.374,-2.377,-2.380,-2.383,-2.386,-2.389,-2.392,\n &-2.395,-2.398,-2.401,-2.404,-2.407,-2.410,-2.413,-2.416,-2.419,\n &-2.422,-2.425,-2.427,-2.430,-2.433,-2.436,-2.439,-2.442,-2.445,\n &-2.448,-2.451,-2.454,-2.457,-2.460,-2.462,-2.465,-2.468,-2.471,\n &-2.474,-2.477,-2.480,-2.483,-2.485,-2.488,-2.491,-2.494,-2.497,\n &-2.500,-2.503,-2.506,-2.508,-2.511,-2.514,-2.517,-2.520,-2.523,\n &-2.526,-2.528,-2.531,-2.534,-2.537,-2.540,-2.543,-2.546,-2.548,\n &-2.551,-2.554,-2.557,-2.560,-2.563,-2.565,-2.568,-2.571,-2.574,\n &-2.577,-2.579,-2.582,-2.585,-2.588,-2.591,-2.594,-2.596,-2.599,\n &-2.602,-2.605,-2.608,-2.610,-2.613,-2.616,-2.619,-2.622,-2.624,\n &-2.627,-2.630,-2.633,-2.635,-2.638,-2.641,-2.644,-2.647,-2.649,\n &-2.652,-2.655,-2.658,-2.661,-2.663,-2.666,-2.669,-2.672,-2.674,\n &-2.677,-2.680,-2.683,-2.685,-2.688,-2.691,-2.694,-2.696,-2.699,\n &-2.702,-2.705,-2.707,-2.710,-2.713,-2.716,-2.718,-2.721,-2.724,\n &-2.727,-2.729,-2.732,-2.735,-2.765,-2.792,-2.819,-2.846,-2.873,\n &-2.900,-2.927,-2.953,-2.980,-3.006,-3.033,-3.059,-3.086,-3.112,\n &-3.138,-3.164,-3.191,-3.217,-3.243,-3.269,-3.295,-3.321,-3.346,\n &-3.372,-3.398,-3.424,-3.449,-3.475,-3.501,-3.526,-3.552,-3.578,\n &-3.603,-3.629,-3.654,-3.679,-3.705,-3.730,-3.755,-3.781,-3.806,\n &-3.831,-3.857,-3.882,-3.907,-3.932,-3.957,-3.982,-4.008,-4.033,\n &-4.058,-4.083,-4.108,-4.133,-4.158,-4.183,-4.208,-4.233,-4.258,\n &-4.282,-4.307,-4.332,-4.357,-4.382,-4.407,-4.431,-4.456,-4.481,\n &-4.506,-4.530,-4.555,-4.580,-4.605,-4.629,-4.654,-4.679,-4.703,\n &-4.728,-4.752,-4.777,-4.802,-4.826,-4.851,-4.875,-4.900,-4.924,\n &-4.949,-4.973,-4.998,-5.022,-5.047,-5.071,-5.096,-5.120,-5.145,\n &-5.169,-5.193,-5.218,-5.242,-5.267,-5.291,-5.315,-5.340,-5.364,\n &-5.388,-5.413,-5.437,-5.461,-5.485,-5.510,-5.534,-5.558,-5.582,\n &-5.607,-5.631,-5.655,-5.679,-5.703,-5.728,-5.752,-5.776,-5.800,\n &-5.824,-5.848,-5.873,-5.897,-5.921,-5.945,-5.969,-5.993,-6.017,\n &-6.041,-6.065,-6.089,-6.113,-6.137,-6.161,-6.186,-6.210,-6.234,\n &-6.258,-6.282,-6.306,-6.329,-6.353,-6.377,-6.401,-6.425,-6.449,\n &-6.473,-6.497,-6.521,-6.545,-6.569,-6.593,-6.617,-6.641,-6.664,\n &-6.688,-6.712,-6.736\n & /\nC\nC *** MGNO32\nC\n DATA BNC22M/\n &-0.099,-0.205,-0.253,-0.283,-0.305,-0.322,-0.335,-0.345,-0.353,\n &-0.359,-0.364,-0.368,-0.371,-0.374,-0.375,-0.376,-0.377,-0.377,\n &-0.376,-0.376,-0.375,-0.373,-0.372,-0.370,-0.368,-0.366,-0.364,\n &-0.361,-0.359,-0.356,-0.353,-0.350,-0.347,-0.344,-0.341,-0.338,\n &-0.334,-0.331,-0.328,-0.324,-0.321,-0.317,-0.314,-0.310,-0.306,\n &-0.303,-0.299,-0.295,-0.292,-0.288,-0.284,-0.281,-0.277,-0.273,\n &-0.270,-0.266,-0.262,-0.258,-0.255,-0.251,-0.247,-0.243,-0.240,\n &-0.236,-0.232,-0.228,-0.225,-0.221,-0.217,-0.213,-0.209,-0.205,\n &-0.201,-0.197,-0.194,-0.190,-0.186,-0.182,-0.177,-0.173,-0.169,\n &-0.165,-0.161,-0.157,-0.153,-0.148,-0.144,-0.140,-0.135,-0.131,\n &-0.126,-0.122,-0.117,-0.113,-0.108,-0.104,-0.099,-0.094,-0.090,\n &-0.085,-0.080,-0.075,-0.070,-0.066,-0.061,-0.056,-0.051,-0.046,\n &-0.041,-0.036,-0.031,-0.026,-0.021,-0.016,-0.011,-0.006,-0.001,\n & 0.004, 0.010, 0.015, 0.020, 0.025, 0.030, 0.035, 0.040, 0.045,\n & 0.050, 0.056, 0.061, 0.066, 0.071, 0.076, 0.081, 0.086, 0.092,\n & 0.097, 0.102, 0.107, 0.112, 0.117, 0.122, 0.127, 0.132, 0.137,\n & 0.143, 0.148, 0.153, 0.158, 0.163, 0.168, 0.173, 0.178, 0.183,\n & 0.188, 0.193, 0.198, 0.203, 0.208, 0.213, 0.218, 0.223, 0.228,\n & 0.233, 0.238, 0.243, 0.248, 0.253, 0.258, 0.262, 0.267, 0.272,\n & 0.277, 0.282, 0.287, 0.292, 0.297, 0.302, 0.306, 0.311, 0.316,\n & 0.321, 0.326, 0.331, 0.335, 0.340, 0.345, 0.350, 0.354, 0.359,\n & 0.364, 0.369, 0.373, 0.378, 0.383, 0.388, 0.392, 0.397, 0.402,\n & 0.406, 0.411, 0.416, 0.420, 0.425, 0.430, 0.434, 0.439, 0.444,\n & 0.448, 0.453, 0.457, 0.462, 0.466, 0.471, 0.476, 0.480, 0.485,\n & 0.489, 0.494, 0.498, 0.503, 0.507, 0.512, 0.516, 0.521, 0.525,\n & 0.530, 0.534, 0.538, 0.543, 0.547, 0.552, 0.556, 0.561, 0.565,\n & 0.569, 0.574, 0.578, 0.582, 0.587, 0.591, 0.595, 0.600, 0.604,\n & 0.608, 0.613, 0.617, 0.621, 0.625, 0.630, 0.634, 0.638, 0.642,\n & 0.647, 0.651, 0.655, 0.659, 0.664, 0.668, 0.672, 0.676, 0.680,\n & 0.684, 0.689, 0.693, 0.697, 0.701, 0.705, 0.709, 0.713, 0.717,\n & 0.721, 0.726, 0.730, 0.734, 0.738, 0.742, 0.746, 0.750, 0.754,\n & 0.758, 0.762, 0.766, 0.770, 0.774, 0.778, 0.782, 0.786, 0.790,\n & 0.794, 0.798, 0.801, 0.805, 0.809, 0.813, 0.817, 0.821, 0.825,\n & 0.829, 0.833, 0.836, 0.840, 0.844, 0.848, 0.852, 0.856, 0.859,\n & 0.863, 0.867, 0.871, 0.875, 0.878, 0.882, 0.886, 0.890, 0.893,\n & 0.897, 0.901, 0.905, 0.908, 0.912, 0.916, 0.919, 0.923, 0.927,\n & 0.931, 0.934, 0.938, 0.941, 0.945, 0.949, 0.952, 0.956, 0.960,\n & 0.963, 0.967, 0.970, 0.974, 0.978, 0.981, 0.985, 0.988, 0.992,\n & 0.995, 0.999, 1.002, 1.006, 1.010, 1.013, 1.017, 1.020, 1.024,\n & 1.027, 1.031, 1.034, 1.037, 1.041, 1.044, 1.048, 1.051, 1.055,\n & 1.058, 1.061, 1.065, 1.068, 1.072, 1.075, 1.078, 1.082, 1.085,\n & 1.089, 1.092, 1.095, 1.099, 1.102, 1.105, 1.109, 1.112, 1.115,\n & 1.119, 1.122, 1.125, 1.128, 1.132, 1.135, 1.138, 1.142, 1.145,\n & 1.148, 1.151, 1.155, 1.158, 1.161, 1.164, 1.167, 1.171, 1.174,\n & 1.177, 1.180, 1.183, 1.187, 1.220, 1.251, 1.281, 1.311, 1.340,\n & 1.369, 1.397, 1.424, 1.451, 1.477, 1.503, 1.529, 1.554, 1.579,\n & 1.603, 1.627, 1.650, 1.673, 1.695, 1.717, 1.739, 1.760, 1.781,\n & 1.802, 1.822, 1.842, 1.862, 1.881, 1.900, 1.918, 1.937, 1.955,\n & 1.972, 1.990, 2.007, 2.024, 2.040, 2.056, 2.072, 2.088, 2.103,\n & 2.119, 2.134, 2.148, 2.163, 2.177, 2.191, 2.205, 2.218, 2.231,\n & 2.245, 2.257, 2.270, 2.283, 2.295, 2.307, 2.319, 2.330, 2.342,\n & 2.353, 2.364, 2.375, 2.386, 2.397, 2.407, 2.417, 2.427, 2.437,\n & 2.447, 2.456, 2.466, 2.475, 2.484, 2.493, 2.502, 2.511, 2.519,\n & 2.528, 2.536, 2.544, 2.552, 2.560, 2.567, 2.575, 2.582, 2.590,\n & 2.597, 2.604, 2.611, 2.618, 2.624, 2.631, 2.637, 2.644, 2.650,\n & 2.656, 2.662, 2.668, 2.674, 2.680, 2.685, 2.691, 2.696, 2.701,\n & 2.706, 2.712, 2.717, 2.721, 2.726, 2.731, 2.735, 2.740, 2.744,\n & 2.749, 2.753, 2.757, 2.761, 2.765, 2.769, 2.773, 2.777, 2.780,\n & 2.784, 2.787, 2.791, 2.794, 2.797, 2.801, 2.804, 2.807, 2.810,\n & 2.812, 2.815, 2.818, 2.821, 2.823, 2.826, 2.828, 2.831, 2.833,\n & 2.835, 2.837, 2.839, 2.841, 2.843, 2.845, 2.847, 2.849, 2.851,\n & 2.852, 2.854, 2.856, 2.857, 2.859, 2.860, 2.861, 2.862, 2.864,\n & 2.865, 2.866, 2.867\n & /\nC\nC *** MGCL2\nC\n DATA BNC23M/\n &-0.098,-0.202,-0.247,-0.275,-0.294,-0.308,-0.319,-0.327,-0.333,\n &-0.337,-0.340,-0.342,-0.343,-0.343,-0.343,-0.341,-0.340,-0.338,\n &-0.336,-0.333,-0.330,-0.326,-0.323,-0.319,-0.315,-0.311,-0.306,\n &-0.302,-0.297,-0.293,-0.288,-0.283,-0.278,-0.273,-0.267,-0.262,\n &-0.257,-0.251,-0.246,-0.241,-0.235,-0.230,-0.224,-0.218,-0.213,\n &-0.207,-0.202,-0.196,-0.190,-0.185,-0.179,-0.174,-0.168,-0.162,\n &-0.157,-0.151,-0.145,-0.140,-0.134,-0.128,-0.123,-0.117,-0.111,\n &-0.106,-0.100,-0.094,-0.089,-0.083,-0.077,-0.071,-0.066,-0.060,\n &-0.054,-0.048,-0.042,-0.037,-0.031,-0.025,-0.019,-0.013,-0.007,\n &-0.001, 0.006, 0.012, 0.018, 0.024, 0.030, 0.037, 0.043, 0.049,\n & 0.056, 0.062, 0.069, 0.075, 0.082, 0.089, 0.095, 0.102, 0.109,\n & 0.116, 0.122, 0.129, 0.136, 0.143, 0.150, 0.157, 0.164, 0.171,\n & 0.178, 0.185, 0.192, 0.199, 0.207, 0.214, 0.221, 0.228, 0.235,\n & 0.242, 0.250, 0.257, 0.264, 0.271, 0.278, 0.286, 0.293, 0.300,\n & 0.307, 0.315, 0.322, 0.329, 0.336, 0.344, 0.351, 0.358, 0.365,\n & 0.372, 0.380, 0.387, 0.394, 0.401, 0.408, 0.416, 0.423, 0.430,\n & 0.437, 0.444, 0.451, 0.458, 0.466, 0.473, 0.480, 0.487, 0.494,\n & 0.501, 0.508, 0.515, 0.522, 0.529, 0.536, 0.543, 0.550, 0.557,\n & 0.564, 0.571, 0.578, 0.585, 0.592, 0.599, 0.606, 0.613, 0.620,\n & 0.626, 0.633, 0.640, 0.647, 0.654, 0.661, 0.667, 0.674, 0.681,\n & 0.688, 0.695, 0.701, 0.708, 0.715, 0.722, 0.728, 0.735, 0.742,\n & 0.748, 0.755, 0.762, 0.768, 0.775, 0.782, 0.788, 0.795, 0.801,\n & 0.808, 0.815, 0.821, 0.828, 0.834, 0.841, 0.847, 0.854, 0.860,\n & 0.867, 0.873, 0.879, 0.886, 0.892, 0.899, 0.905, 0.912, 0.918,\n & 0.924, 0.931, 0.937, 0.943, 0.950, 0.956, 0.962, 0.968, 0.975,\n & 0.981, 0.987, 0.993, 1.000, 1.006, 1.012, 1.018, 1.024, 1.031,\n & 1.037, 1.043, 1.049, 1.055, 1.061, 1.067, 1.073, 1.080, 1.086,\n & 1.092, 1.098, 1.104, 1.110, 1.116, 1.122, 1.128, 1.134, 1.140,\n & 1.146, 1.151, 1.157, 1.163, 1.169, 1.175, 1.181, 1.187, 1.193,\n & 1.199, 1.204, 1.210, 1.216, 1.222, 1.228, 1.233, 1.239, 1.245,\n & 1.251, 1.256, 1.262, 1.268, 1.273, 1.279, 1.285, 1.291, 1.296,\n & 1.302, 1.307, 1.313, 1.319, 1.324, 1.330, 1.335, 1.341, 1.347,\n & 1.352, 1.358, 1.363, 1.369, 1.374, 1.380, 1.385, 1.391, 1.396,\n & 1.402, 1.407, 1.412, 1.418, 1.423, 1.429, 1.434, 1.439, 1.445,\n & 1.450, 1.455, 1.461, 1.466, 1.471, 1.477, 1.482, 1.487, 1.493,\n & 1.498, 1.503, 1.508, 1.514, 1.519, 1.524, 1.529, 1.534, 1.540,\n & 1.545, 1.550, 1.555, 1.560, 1.565, 1.570, 1.576, 1.581, 1.586,\n & 1.591, 1.596, 1.601, 1.606, 1.611, 1.616, 1.621, 1.626, 1.631,\n & 1.636, 1.641, 1.646, 1.651, 1.656, 1.661, 1.666, 1.671, 1.676,\n & 1.681, 1.686, 1.691, 1.695, 1.700, 1.705, 1.710, 1.715, 1.720,\n & 1.725, 1.729, 1.734, 1.739, 1.744, 1.749, 1.753, 1.758, 1.763,\n & 1.768, 1.772, 1.777, 1.782, 1.786, 1.791, 1.796, 1.801, 1.805,\n & 1.810, 1.815, 1.819, 1.824, 1.829, 1.833, 1.838, 1.842, 1.847,\n & 1.852, 1.856, 1.861, 1.865, 1.870, 1.874, 1.879, 1.883, 1.888,\n & 1.892, 1.897, 1.902, 1.906, 1.954, 1.998, 2.040, 2.082, 2.124,\n & 2.164, 2.204, 2.243, 2.282, 2.319, 2.356, 2.393, 2.429, 2.464,\n & 2.499, 2.533, 2.567, 2.600, 2.632, 2.664, 2.695, 2.726, 2.757,\n & 2.787, 2.816, 2.845, 2.874, 2.902, 2.930, 2.957, 2.984, 3.010,\n & 3.036, 3.062, 3.087, 3.112, 3.137, 3.161, 3.185, 3.208, 3.232,\n & 3.254, 3.277, 3.299, 3.321, 3.342, 3.364, 3.385, 3.405, 3.426,\n & 3.446, 3.466, 3.485, 3.504, 3.523, 3.542, 3.561, 3.579, 3.597,\n & 3.615, 3.632, 3.649, 3.666, 3.683, 3.700, 3.716, 3.732, 3.748,\n & 3.764, 3.779, 3.795, 3.810, 3.825, 3.839, 3.854, 3.868, 3.882,\n & 3.896, 3.910, 3.924, 3.937, 3.950, 3.964, 3.976, 3.989, 4.002,\n & 4.014, 4.026, 4.039, 4.050, 4.062, 4.074, 4.085, 4.097, 4.108,\n & 4.119, 4.130, 4.141, 4.151, 4.162, 4.172, 4.182, 4.192, 4.202,\n & 4.212, 4.222, 4.231, 4.241, 4.250, 4.259, 4.268, 4.277, 4.286,\n & 4.295, 4.304, 4.312, 4.321, 4.329, 4.337, 4.345, 4.353, 4.361,\n & 4.369, 4.376, 4.384, 4.391, 4.399, 4.406, 4.413, 4.420, 4.427,\n & 4.434, 4.441, 4.447, 4.454, 4.460, 4.467, 4.473, 4.479, 4.485,\n & 4.491, 4.497, 4.503, 4.509, 4.515, 4.520, 4.526, 4.531, 4.537,\n & 4.542, 4.547, 4.552, 4.557, 4.562, 4.567, 4.572, 4.577, 4.582,\n & 4.586, 4.591, 4.595\n & /\n END\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE KM223\nC *** CALCULATES BINARY ACTIVITY COEFFICIENTS BY KUSIK-MEISSNER METHOD.\nC THE COMPUTATIONS HAVE BEEN PERFORMED AND THE RESULTS ARE STORED IN\nC LOOKUP TABLES. THE IONIC ACTIVITY 'IN' IS INPUT, AND THE ARRAY\nC 'BINARR' IS RETURNED WITH THE BINARY COEFFICIENTS.\nC\nC TEMPERATURE IS 223K\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE KM223 (IONIC, BINARR)\nC\nC *** Common block definition\nC\n COMMON /KMC223/\n &BNC01M( 561),BNC02M( 561),BNC03M( 561),BNC04M( 561),\n &BNC05M( 561),BNC06M( 561),BNC07M( 561),BNC08M( 561),\n &BNC09M( 561),BNC10M( 561),BNC11M( 561),BNC12M( 561),\n &BNC13M( 561),BNC14M( 561),BNC15M( 561),BNC16M( 561),\n &BNC17M( 561),BNC18M( 561),BNC19M( 561),BNC20M( 561),\n &BNC21M( 561),BNC22M( 561),BNC23M( 561)\n REAL Binarr (23), Ionic\nC\nC *** Find position in arrays for bincoef\nC\n IF (Ionic.LE. 0.200000E+02) THEN\n ipos = MIN(NINT( 0.200000E+02*Ionic) + 1, 400)\n ELSE\n ipos = 400+NINT( 0.200000E+01*Ionic- 0.400000E+02)\n ENDIF\n ipos = min(ipos, 561)\nC\nC *** Assign values to return array\nC\n Binarr(01) = BNC01M(ipos)\n Binarr(02) = BNC02M(ipos)\n Binarr(03) = BNC03M(ipos)\n Binarr(04) = BNC04M(ipos)\n Binarr(05) = BNC05M(ipos)\n Binarr(06) = BNC06M(ipos)\n Binarr(07) = BNC07M(ipos)\n Binarr(08) = BNC08M(ipos)\n Binarr(09) = BNC09M(ipos)\n Binarr(10) = BNC10M(ipos)\n Binarr(11) = BNC11M(ipos)\n Binarr(12) = BNC12M(ipos)\n Binarr(13) = BNC13M(ipos)\n Binarr(14) = BNC14M(ipos)\n Binarr(15) = BNC15M(ipos)\n Binarr(16) = BNC16M(ipos)\n Binarr(17) = BNC17M(ipos)\n Binarr(18) = BNC18M(ipos)\n Binarr(19) = BNC19M(ipos)\n Binarr(20) = BNC20M(ipos)\n Binarr(21) = BNC21M(ipos)\n Binarr(22) = BNC22M(ipos)\n Binarr(23) = BNC23M(ipos)\nC\nC *** Return point ; End of subroutine\nC\n RETURN\n END\n\n\n BLOCK DATA KMCF223\nC\nC *** Common block definition\nC\n COMMON /KMC223/\n &BNC01M( 561),BNC02M( 561),BNC03M( 561),BNC04M( 561),\n &BNC05M( 561),BNC06M( 561),BNC07M( 561),BNC08M( 561),\n &BNC09M( 561),BNC10M( 561),BNC11M( 561),BNC12M( 561),\n &BNC13M( 561),BNC14M( 561),BNC15M( 561),BNC16M( 561),\n &BNC17M( 561),BNC18M( 561),BNC19M( 561),BNC20M( 561),\n &BNC21M( 561),BNC22M( 561),BNC23M( 561)\n\nC\nC *** NaCl\nC\n DATA BNC01M/\n &-0.049,-0.101,-0.124,-0.140,-0.151,-0.159,-0.166,-0.171,-0.175,\n &-0.178,-0.181,-0.183,-0.185,-0.187,-0.188,-0.188,-0.189,-0.189,\n &-0.189,-0.189,-0.189,-0.189,-0.188,-0.187,-0.187,-0.186,-0.185,\n &-0.184,-0.183,-0.182,-0.181,-0.180,-0.178,-0.177,-0.176,-0.174,\n &-0.173,-0.172,-0.170,-0.169,-0.167,-0.166,-0.164,-0.163,-0.161,\n &-0.159,-0.158,-0.156,-0.155,-0.153,-0.151,-0.150,-0.148,-0.147,\n &-0.145,-0.143,-0.142,-0.140,-0.138,-0.137,-0.135,-0.134,-0.132,\n &-0.130,-0.128,-0.127,-0.125,-0.123,-0.122,-0.120,-0.118,-0.117,\n &-0.115,-0.113,-0.111,-0.110,-0.108,-0.106,-0.104,-0.102,-0.101,\n &-0.099,-0.097,-0.095,-0.093,-0.091,-0.089,-0.087,-0.085,-0.083,\n &-0.081,-0.079,-0.077,-0.075,-0.073,-0.071,-0.069,-0.067,-0.065,\n &-0.063,-0.061,-0.058,-0.056,-0.054,-0.052,-0.050,-0.048,-0.045,\n &-0.043,-0.041,-0.039,-0.036,-0.034,-0.032,-0.030,-0.027,-0.025,\n &-0.023,-0.020,-0.018,-0.016,-0.014,-0.011,-0.009,-0.007,-0.004,\n &-0.002, 0.000, 0.003, 0.005, 0.007, 0.010, 0.012, 0.014, 0.016,\n & 0.019, 0.021, 0.023, 0.026, 0.028, 0.030, 0.033, 0.035, 0.037,\n & 0.039, 0.042, 0.044, 0.046, 0.049, 0.051, 0.053, 0.055, 0.058,\n & 0.060, 0.062, 0.064, 0.067, 0.069, 0.071, 0.073, 0.076, 0.078,\n & 0.080, 0.082, 0.085, 0.087, 0.089, 0.091, 0.094, 0.096, 0.098,\n & 0.100, 0.102, 0.105, 0.107, 0.109, 0.111, 0.113, 0.116, 0.118,\n & 0.120, 0.122, 0.124, 0.126, 0.129, 0.131, 0.133, 0.135, 0.137,\n & 0.139, 0.142, 0.144, 0.146, 0.148, 0.150, 0.152, 0.154, 0.157,\n & 0.159, 0.161, 0.163, 0.165, 0.167, 0.169, 0.171, 0.173, 0.175,\n & 0.178, 0.180, 0.182, 0.184, 0.186, 0.188, 0.190, 0.192, 0.194,\n & 0.196, 0.198, 0.200, 0.202, 0.204, 0.206, 0.208, 0.211, 0.213,\n & 0.215, 0.217, 0.219, 0.221, 0.223, 0.225, 0.227, 0.229, 0.231,\n & 0.233, 0.235, 0.237, 0.239, 0.241, 0.243, 0.245, 0.246, 0.248,\n & 0.250, 0.252, 0.254, 0.256, 0.258, 0.260, 0.262, 0.264, 0.266,\n & 0.268, 0.270, 0.272, 0.274, 0.276, 0.277, 0.279, 0.281, 0.283,\n & 0.285, 0.287, 0.289, 0.291, 0.293, 0.295, 0.296, 0.298, 0.300,\n & 0.302, 0.304, 0.306, 0.308, 0.309, 0.311, 0.313, 0.315, 0.317,\n & 0.319, 0.320, 0.322, 0.324, 0.326, 0.328, 0.330, 0.331, 0.333,\n & 0.335, 0.337, 0.339, 0.340, 0.342, 0.344, 0.346, 0.348, 0.349,\n & 0.351, 0.353, 0.355, 0.356, 0.358, 0.360, 0.362, 0.363, 0.365,\n & 0.367, 0.369, 0.370, 0.372, 0.374, 0.376, 0.377, 0.379, 0.381,\n & 0.383, 0.384, 0.386, 0.388, 0.389, 0.391, 0.393, 0.394, 0.396,\n & 0.398, 0.400, 0.401, 0.403, 0.405, 0.406, 0.408, 0.410, 0.411,\n & 0.413, 0.415, 0.416, 0.418, 0.420, 0.421, 0.423, 0.424, 0.426,\n & 0.428, 0.429, 0.431, 0.433, 0.434, 0.436, 0.437, 0.439, 0.441,\n & 0.442, 0.444, 0.446, 0.447, 0.449, 0.450, 0.452, 0.453, 0.455,\n & 0.457, 0.458, 0.460, 0.461, 0.463, 0.464, 0.466, 0.468, 0.469,\n & 0.471, 0.472, 0.474, 0.475, 0.477, 0.478, 0.480, 0.482, 0.483,\n & 0.485, 0.486, 0.488, 0.489, 0.491, 0.492, 0.494, 0.495, 0.497,\n & 0.498, 0.500, 0.501, 0.503, 0.504, 0.506, 0.507, 0.509, 0.510,\n & 0.512, 0.513, 0.515, 0.516, 0.532, 0.546, 0.560, 0.574, 0.588,\n & 0.601, 0.614, 0.627, 0.639, 0.652, 0.664, 0.676, 0.688, 0.700,\n & 0.711, 0.722, 0.733, 0.744, 0.755, 0.765, 0.776, 0.786, 0.796,\n & 0.806, 0.816, 0.825, 0.835, 0.844, 0.853, 0.862, 0.871, 0.880,\n & 0.888, 0.897, 0.905, 0.913, 0.921, 0.929, 0.937, 0.945, 0.952,\n & 0.960, 0.967, 0.975, 0.982, 0.989, 0.996, 1.003, 1.009, 1.016,\n & 1.023, 1.029, 1.036, 1.042, 1.048, 1.054, 1.060, 1.066, 1.072,\n & 1.078, 1.084, 1.089, 1.095, 1.100, 1.106, 1.111, 1.116, 1.121,\n & 1.126, 1.131, 1.136, 1.141, 1.146, 1.151, 1.156, 1.160, 1.165,\n & 1.169, 1.174, 1.178, 1.182, 1.187, 1.191, 1.195, 1.199, 1.203,\n & 1.207, 1.211, 1.215, 1.219, 1.223, 1.226, 1.230, 1.234, 1.237,\n & 1.241, 1.244, 1.247, 1.251, 1.254, 1.257, 1.261, 1.264, 1.267,\n & 1.270, 1.273, 1.276, 1.279, 1.282, 1.285, 1.288, 1.291, 1.293,\n & 1.296, 1.299, 1.301, 1.304, 1.306, 1.309, 1.311, 1.314, 1.316,\n & 1.319, 1.321, 1.323, 1.326, 1.328, 1.330, 1.332, 1.334, 1.336,\n & 1.339, 1.341, 1.343, 1.345, 1.347, 1.348, 1.350, 1.352, 1.354,\n & 1.356, 1.358, 1.359, 1.361, 1.363, 1.364, 1.366, 1.368, 1.369,\n & 1.371, 1.372, 1.374, 1.375, 1.377, 1.378, 1.379, 1.381, 1.382,\n & 1.383, 1.385, 1.386\n & /\nC\nC *** Na2SO4\nC\n DATA BNC02M/\n &-0.100,-0.220,-0.280,-0.323,-0.357,-0.385,-0.409,-0.431,-0.450,\n &-0.468,-0.484,-0.499,-0.513,-0.526,-0.538,-0.549,-0.560,-0.571,\n &-0.581,-0.590,-0.600,-0.608,-0.617,-0.625,-0.633,-0.641,-0.648,\n &-0.655,-0.662,-0.669,-0.676,-0.682,-0.689,-0.695,-0.701,-0.707,\n &-0.713,-0.718,-0.724,-0.729,-0.735,-0.740,-0.745,-0.750,-0.755,\n &-0.760,-0.765,-0.769,-0.774,-0.779,-0.783,-0.788,-0.792,-0.796,\n &-0.800,-0.805,-0.809,-0.813,-0.817,-0.821,-0.825,-0.829,-0.833,\n &-0.836,-0.840,-0.844,-0.848,-0.851,-0.855,-0.858,-0.862,-0.866,\n &-0.869,-0.873,-0.876,-0.879,-0.883,-0.886,-0.889,-0.893,-0.896,\n &-0.899,-0.902,-0.906,-0.909,-0.912,-0.915,-0.918,-0.921,-0.924,\n &-0.927,-0.930,-0.933,-0.936,-0.939,-0.942,-0.945,-0.948,-0.951,\n &-0.954,-0.957,-0.960,-0.963,-0.966,-0.968,-0.971,-0.974,-0.977,\n &-0.980,-0.982,-0.985,-0.988,-0.991,-0.993,-0.996,-0.999,-1.001,\n &-1.004,-1.007,-1.009,-1.012,-1.015,-1.017,-1.020,-1.022,-1.025,\n &-1.028,-1.030,-1.033,-1.035,-1.038,-1.040,-1.043,-1.045,-1.048,\n &-1.050,-1.053,-1.055,-1.058,-1.060,-1.062,-1.065,-1.067,-1.070,\n &-1.072,-1.074,-1.077,-1.079,-1.082,-1.084,-1.086,-1.089,-1.091,\n &-1.093,-1.096,-1.098,-1.100,-1.102,-1.105,-1.107,-1.109,-1.112,\n &-1.114,-1.116,-1.118,-1.121,-1.123,-1.125,-1.127,-1.129,-1.132,\n &-1.134,-1.136,-1.138,-1.140,-1.143,-1.145,-1.147,-1.149,-1.151,\n &-1.153,-1.155,-1.158,-1.160,-1.162,-1.164,-1.166,-1.168,-1.170,\n &-1.172,-1.174,-1.177,-1.179,-1.181,-1.183,-1.185,-1.187,-1.189,\n &-1.191,-1.193,-1.195,-1.197,-1.199,-1.201,-1.203,-1.205,-1.207,\n &-1.209,-1.211,-1.213,-1.215,-1.217,-1.219,-1.221,-1.223,-1.225,\n &-1.227,-1.229,-1.231,-1.233,-1.235,-1.237,-1.239,-1.241,-1.243,\n &-1.245,-1.247,-1.248,-1.250,-1.252,-1.254,-1.256,-1.258,-1.260,\n &-1.262,-1.264,-1.266,-1.268,-1.269,-1.271,-1.273,-1.275,-1.277,\n &-1.279,-1.281,-1.283,-1.284,-1.286,-1.288,-1.290,-1.292,-1.294,\n &-1.296,-1.297,-1.299,-1.301,-1.303,-1.305,-1.306,-1.308,-1.310,\n &-1.312,-1.314,-1.316,-1.317,-1.319,-1.321,-1.323,-1.325,-1.326,\n &-1.328,-1.330,-1.332,-1.333,-1.335,-1.337,-1.339,-1.341,-1.342,\n &-1.344,-1.346,-1.348,-1.349,-1.351,-1.353,-1.355,-1.356,-1.358,\n &-1.360,-1.362,-1.363,-1.365,-1.367,-1.369,-1.370,-1.372,-1.374,\n &-1.375,-1.377,-1.379,-1.381,-1.382,-1.384,-1.386,-1.387,-1.389,\n &-1.391,-1.393,-1.394,-1.396,-1.398,-1.399,-1.401,-1.403,-1.404,\n &-1.406,-1.408,-1.409,-1.411,-1.413,-1.414,-1.416,-1.418,-1.419,\n &-1.421,-1.423,-1.424,-1.426,-1.428,-1.429,-1.431,-1.433,-1.434,\n &-1.436,-1.438,-1.439,-1.441,-1.442,-1.444,-1.446,-1.447,-1.449,\n &-1.451,-1.452,-1.454,-1.456,-1.457,-1.459,-1.460,-1.462,-1.464,\n &-1.465,-1.467,-1.468,-1.470,-1.472,-1.473,-1.475,-1.476,-1.478,\n &-1.480,-1.481,-1.483,-1.484,-1.486,-1.488,-1.489,-1.491,-1.492,\n &-1.494,-1.496,-1.497,-1.499,-1.500,-1.502,-1.503,-1.505,-1.507,\n &-1.508,-1.510,-1.511,-1.513,-1.514,-1.516,-1.518,-1.519,-1.521,\n &-1.522,-1.524,-1.525,-1.527,-1.528,-1.530,-1.531,-1.533,-1.535,\n &-1.536,-1.538,-1.539,-1.541,-1.557,-1.572,-1.587,-1.602,-1.617,\n &-1.632,-1.647,-1.661,-1.675,-1.690,-1.704,-1.718,-1.732,-1.746,\n &-1.760,-1.774,-1.787,-1.801,-1.815,-1.828,-1.841,-1.855,-1.868,\n &-1.881,-1.895,-1.908,-1.921,-1.934,-1.947,-1.960,-1.972,-1.985,\n &-1.998,-2.011,-2.023,-2.036,-2.048,-2.061,-2.074,-2.086,-2.098,\n &-2.111,-2.123,-2.135,-2.148,-2.160,-2.172,-2.184,-2.196,-2.208,\n &-2.220,-2.232,-2.244,-2.256,-2.268,-2.280,-2.292,-2.304,-2.315,\n &-2.327,-2.339,-2.351,-2.362,-2.374,-2.386,-2.397,-2.409,-2.420,\n &-2.432,-2.443,-2.455,-2.466,-2.478,-2.489,-2.501,-2.512,-2.523,\n &-2.535,-2.546,-2.557,-2.568,-2.580,-2.591,-2.602,-2.613,-2.625,\n &-2.636,-2.647,-2.658,-2.669,-2.680,-2.691,-2.702,-2.713,-2.724,\n &-2.735,-2.746,-2.757,-2.768,-2.779,-2.790,-2.801,-2.812,-2.823,\n &-2.833,-2.844,-2.855,-2.866,-2.877,-2.888,-2.898,-2.909,-2.920,\n &-2.930,-2.941,-2.952,-2.963,-2.973,-2.984,-2.995,-3.005,-3.016,\n &-3.026,-3.037,-3.048,-3.058,-3.069,-3.079,-3.090,-3.100,-3.111,\n &-3.121,-3.132,-3.142,-3.153,-3.163,-3.174,-3.184,-3.195,-3.205,\n &-3.215,-3.226,-3.236,-3.247,-3.257,-3.267,-3.278,-3.288,-3.298,\n &-3.309,-3.319,-3.329,-3.340,-3.350,-3.360,-3.370,-3.381,-3.391,\n &-3.401,-3.411,-3.422\n & /\nC\nC *** NaNO3\nC\n DATA BNC03M/\n &-0.050,-0.111,-0.141,-0.164,-0.181,-0.196,-0.209,-0.220,-0.230,\n &-0.239,-0.248,-0.256,-0.263,-0.270,-0.277,-0.283,-0.289,-0.295,\n &-0.300,-0.306,-0.311,-0.316,-0.320,-0.325,-0.329,-0.334,-0.338,\n &-0.342,-0.346,-0.350,-0.353,-0.357,-0.360,-0.364,-0.367,-0.371,\n &-0.374,-0.377,-0.380,-0.384,-0.387,-0.390,-0.392,-0.395,-0.398,\n &-0.401,-0.404,-0.406,-0.409,-0.412,-0.414,-0.417,-0.419,-0.422,\n &-0.424,-0.427,-0.429,-0.432,-0.434,-0.436,-0.438,-0.441,-0.443,\n &-0.445,-0.447,-0.449,-0.452,-0.454,-0.456,-0.458,-0.460,-0.462,\n &-0.464,-0.466,-0.468,-0.470,-0.472,-0.474,-0.476,-0.478,-0.480,\n &-0.482,-0.484,-0.485,-0.487,-0.489,-0.491,-0.493,-0.495,-0.496,\n &-0.498,-0.500,-0.502,-0.504,-0.505,-0.507,-0.509,-0.511,-0.512,\n &-0.514,-0.516,-0.518,-0.519,-0.521,-0.523,-0.524,-0.526,-0.528,\n &-0.529,-0.531,-0.533,-0.534,-0.536,-0.538,-0.539,-0.541,-0.543,\n &-0.544,-0.546,-0.547,-0.549,-0.551,-0.552,-0.554,-0.555,-0.557,\n &-0.558,-0.560,-0.561,-0.563,-0.564,-0.566,-0.568,-0.569,-0.571,\n &-0.572,-0.574,-0.575,-0.576,-0.578,-0.579,-0.581,-0.582,-0.584,\n &-0.585,-0.587,-0.588,-0.590,-0.591,-0.592,-0.594,-0.595,-0.597,\n &-0.598,-0.600,-0.601,-0.602,-0.604,-0.605,-0.606,-0.608,-0.609,\n &-0.611,-0.612,-0.613,-0.615,-0.616,-0.617,-0.619,-0.620,-0.621,\n &-0.623,-0.624,-0.625,-0.627,-0.628,-0.629,-0.631,-0.632,-0.633,\n &-0.635,-0.636,-0.637,-0.638,-0.640,-0.641,-0.642,-0.643,-0.645,\n &-0.646,-0.647,-0.649,-0.650,-0.651,-0.652,-0.654,-0.655,-0.656,\n &-0.657,-0.659,-0.660,-0.661,-0.662,-0.663,-0.665,-0.666,-0.667,\n &-0.668,-0.670,-0.671,-0.672,-0.673,-0.674,-0.676,-0.677,-0.678,\n &-0.679,-0.680,-0.681,-0.683,-0.684,-0.685,-0.686,-0.687,-0.689,\n &-0.690,-0.691,-0.692,-0.693,-0.694,-0.695,-0.697,-0.698,-0.699,\n &-0.700,-0.701,-0.702,-0.703,-0.705,-0.706,-0.707,-0.708,-0.709,\n &-0.710,-0.711,-0.712,-0.714,-0.715,-0.716,-0.717,-0.718,-0.719,\n &-0.720,-0.721,-0.722,-0.724,-0.725,-0.726,-0.727,-0.728,-0.729,\n &-0.730,-0.731,-0.732,-0.733,-0.734,-0.736,-0.737,-0.738,-0.739,\n &-0.740,-0.741,-0.742,-0.743,-0.744,-0.745,-0.746,-0.747,-0.748,\n &-0.749,-0.750,-0.751,-0.753,-0.754,-0.755,-0.756,-0.757,-0.758,\n &-0.759,-0.760,-0.761,-0.762,-0.763,-0.764,-0.765,-0.766,-0.767,\n &-0.768,-0.769,-0.770,-0.771,-0.772,-0.773,-0.774,-0.775,-0.776,\n &-0.777,-0.778,-0.779,-0.780,-0.781,-0.782,-0.783,-0.784,-0.785,\n &-0.786,-0.787,-0.788,-0.789,-0.790,-0.791,-0.792,-0.793,-0.794,\n &-0.795,-0.796,-0.797,-0.798,-0.799,-0.800,-0.801,-0.802,-0.803,\n &-0.804,-0.805,-0.806,-0.807,-0.808,-0.809,-0.810,-0.811,-0.812,\n &-0.813,-0.814,-0.815,-0.816,-0.817,-0.818,-0.818,-0.819,-0.820,\n &-0.821,-0.822,-0.823,-0.824,-0.825,-0.826,-0.827,-0.828,-0.829,\n &-0.830,-0.831,-0.832,-0.833,-0.834,-0.835,-0.835,-0.836,-0.837,\n &-0.838,-0.839,-0.840,-0.841,-0.842,-0.843,-0.844,-0.845,-0.846,\n &-0.847,-0.848,-0.848,-0.849,-0.850,-0.851,-0.852,-0.853,-0.854,\n &-0.855,-0.856,-0.857,-0.858,-0.859,-0.859,-0.860,-0.861,-0.862,\n &-0.863,-0.864,-0.865,-0.866,-0.875,-0.884,-0.893,-0.902,-0.910,\n &-0.919,-0.927,-0.936,-0.944,-0.952,-0.961,-0.969,-0.977,-0.985,\n &-0.993,-1.001,-1.008,-1.016,-1.024,-1.032,-1.039,-1.047,-1.054,\n &-1.062,-1.069,-1.077,-1.084,-1.092,-1.099,-1.106,-1.113,-1.121,\n &-1.128,-1.135,-1.142,-1.149,-1.156,-1.163,-1.170,-1.177,-1.184,\n &-1.191,-1.198,-1.204,-1.211,-1.218,-1.225,-1.231,-1.238,-1.245,\n &-1.251,-1.258,-1.265,-1.271,-1.278,-1.284,-1.291,-1.297,-1.304,\n &-1.310,-1.317,-1.323,-1.330,-1.336,-1.342,-1.349,-1.355,-1.361,\n &-1.368,-1.374,-1.380,-1.386,-1.393,-1.399,-1.405,-1.411,-1.417,\n &-1.423,-1.430,-1.436,-1.442,-1.448,-1.454,-1.460,-1.466,-1.472,\n &-1.478,-1.484,-1.490,-1.496,-1.502,-1.508,-1.514,-1.520,-1.526,\n &-1.532,-1.538,-1.543,-1.549,-1.555,-1.561,-1.567,-1.573,-1.578,\n &-1.584,-1.590,-1.596,-1.602,-1.607,-1.613,-1.619,-1.625,-1.630,\n &-1.636,-1.642,-1.648,-1.653,-1.659,-1.665,-1.670,-1.676,-1.682,\n &-1.687,-1.693,-1.698,-1.704,-1.710,-1.715,-1.721,-1.726,-1.732,\n &-1.738,-1.743,-1.749,-1.754,-1.760,-1.765,-1.771,-1.776,-1.782,\n &-1.787,-1.793,-1.798,-1.804,-1.809,-1.815,-1.820,-1.826,-1.831,\n &-1.837,-1.842,-1.847,-1.853,-1.858,-1.864,-1.869,-1.875,-1.880,\n &-1.885,-1.891,-1.896\n & /\nC\nC *** (NH4)2SO4\nC\n DATA BNC04M/\n &-0.101,-0.220,-0.281,-0.324,-0.358,-0.387,-0.412,-0.434,-0.453,\n &-0.471,-0.487,-0.503,-0.517,-0.530,-0.543,-0.555,-0.566,-0.577,\n &-0.587,-0.597,-0.606,-0.615,-0.624,-0.632,-0.641,-0.649,-0.656,\n &-0.664,-0.671,-0.678,-0.685,-0.692,-0.698,-0.705,-0.711,-0.717,\n &-0.723,-0.729,-0.735,-0.740,-0.746,-0.752,-0.757,-0.762,-0.767,\n &-0.772,-0.777,-0.782,-0.787,-0.792,-0.797,-0.801,-0.806,-0.810,\n &-0.815,-0.819,-0.824,-0.828,-0.832,-0.836,-0.840,-0.844,-0.848,\n &-0.852,-0.856,-0.860,-0.864,-0.868,-0.872,-0.876,-0.879,-0.883,\n &-0.887,-0.890,-0.894,-0.897,-0.901,-0.904,-0.908,-0.911,-0.915,\n &-0.918,-0.922,-0.925,-0.928,-0.932,-0.935,-0.938,-0.942,-0.945,\n &-0.948,-0.951,-0.954,-0.958,-0.961,-0.964,-0.967,-0.970,-0.973,\n &-0.976,-0.979,-0.982,-0.985,-0.988,-0.991,-0.994,-0.997,-1.000,\n &-1.003,-1.006,-1.009,-1.012,-1.015,-1.018,-1.021,-1.024,-1.026,\n &-1.029,-1.032,-1.035,-1.038,-1.040,-1.043,-1.046,-1.049,-1.051,\n &-1.054,-1.057,-1.060,-1.062,-1.065,-1.068,-1.070,-1.073,-1.076,\n &-1.078,-1.081,-1.083,-1.086,-1.089,-1.091,-1.094,-1.096,-1.099,\n &-1.102,-1.104,-1.107,-1.109,-1.112,-1.114,-1.117,-1.119,-1.122,\n &-1.124,-1.127,-1.129,-1.131,-1.134,-1.136,-1.139,-1.141,-1.144,\n &-1.146,-1.148,-1.151,-1.153,-1.155,-1.158,-1.160,-1.163,-1.165,\n &-1.167,-1.170,-1.172,-1.174,-1.177,-1.179,-1.181,-1.183,-1.186,\n &-1.188,-1.190,-1.193,-1.195,-1.197,-1.199,-1.202,-1.204,-1.206,\n &-1.208,-1.210,-1.213,-1.215,-1.217,-1.219,-1.221,-1.224,-1.226,\n &-1.228,-1.230,-1.232,-1.235,-1.237,-1.239,-1.241,-1.243,-1.245,\n &-1.247,-1.250,-1.252,-1.254,-1.256,-1.258,-1.260,-1.262,-1.264,\n &-1.266,-1.269,-1.271,-1.273,-1.275,-1.277,-1.279,-1.281,-1.283,\n &-1.285,-1.287,-1.289,-1.291,-1.293,-1.295,-1.297,-1.299,-1.301,\n &-1.303,-1.305,-1.307,-1.309,-1.311,-1.313,-1.315,-1.317,-1.319,\n &-1.321,-1.323,-1.325,-1.327,-1.329,-1.331,-1.333,-1.335,-1.337,\n &-1.339,-1.341,-1.343,-1.345,-1.347,-1.349,-1.351,-1.353,-1.355,\n &-1.357,-1.358,-1.360,-1.362,-1.364,-1.366,-1.368,-1.370,-1.372,\n &-1.374,-1.376,-1.377,-1.379,-1.381,-1.383,-1.385,-1.387,-1.389,\n &-1.391,-1.392,-1.394,-1.396,-1.398,-1.400,-1.402,-1.404,-1.405,\n &-1.407,-1.409,-1.411,-1.413,-1.415,-1.417,-1.418,-1.420,-1.422,\n &-1.424,-1.426,-1.427,-1.429,-1.431,-1.433,-1.435,-1.437,-1.438,\n &-1.440,-1.442,-1.444,-1.445,-1.447,-1.449,-1.451,-1.453,-1.454,\n &-1.456,-1.458,-1.460,-1.462,-1.463,-1.465,-1.467,-1.469,-1.470,\n &-1.472,-1.474,-1.476,-1.477,-1.479,-1.481,-1.483,-1.484,-1.486,\n &-1.488,-1.490,-1.491,-1.493,-1.495,-1.496,-1.498,-1.500,-1.502,\n &-1.503,-1.505,-1.507,-1.509,-1.510,-1.512,-1.514,-1.515,-1.517,\n &-1.519,-1.520,-1.522,-1.524,-1.526,-1.527,-1.529,-1.531,-1.532,\n &-1.534,-1.536,-1.537,-1.539,-1.541,-1.542,-1.544,-1.546,-1.547,\n &-1.549,-1.551,-1.552,-1.554,-1.556,-1.557,-1.559,-1.561,-1.562,\n &-1.564,-1.566,-1.567,-1.569,-1.571,-1.572,-1.574,-1.576,-1.577,\n &-1.579,-1.580,-1.582,-1.584,-1.585,-1.587,-1.589,-1.590,-1.592,\n &-1.594,-1.595,-1.597,-1.598,-1.616,-1.632,-1.648,-1.663,-1.679,\n &-1.694,-1.710,-1.725,-1.740,-1.755,-1.770,-1.785,-1.799,-1.814,\n &-1.828,-1.843,-1.857,-1.871,-1.885,-1.900,-1.914,-1.928,-1.941,\n &-1.955,-1.969,-1.983,-1.996,-2.010,-2.023,-2.037,-2.050,-2.063,\n &-2.077,-2.090,-2.103,-2.116,-2.129,-2.142,-2.155,-2.168,-2.181,\n &-2.194,-2.206,-2.219,-2.232,-2.244,-2.257,-2.269,-2.282,-2.294,\n &-2.307,-2.319,-2.332,-2.344,-2.356,-2.369,-2.381,-2.393,-2.405,\n &-2.417,-2.429,-2.441,-2.454,-2.466,-2.478,-2.489,-2.501,-2.513,\n &-2.525,-2.537,-2.549,-2.561,-2.572,-2.584,-2.596,-2.608,-2.619,\n &-2.631,-2.642,-2.654,-2.666,-2.677,-2.689,-2.700,-2.712,-2.723,\n &-2.735,-2.746,-2.757,-2.769,-2.780,-2.792,-2.803,-2.814,-2.825,\n &-2.837,-2.848,-2.859,-2.870,-2.882,-2.893,-2.904,-2.915,-2.926,\n &-2.937,-2.948,-2.959,-2.971,-2.982,-2.993,-3.004,-3.015,-3.026,\n &-3.037,-3.048,-3.058,-3.069,-3.080,-3.091,-3.102,-3.113,-3.124,\n &-3.135,-3.145,-3.156,-3.167,-3.178,-3.189,-3.199,-3.210,-3.221,\n &-3.232,-3.242,-3.253,-3.264,-3.274,-3.285,-3.296,-3.306,-3.317,\n &-3.327,-3.338,-3.349,-3.359,-3.370,-3.380,-3.391,-3.401,-3.412,\n &-3.422,-3.433,-3.443,-3.454,-3.464,-3.475,-3.485,-3.496,-3.506,\n &-3.517,-3.527,-3.537\n & /\nC\nC *** NH4NO3\nC\n DATA BNC05M/\n &-0.051,-0.114,-0.148,-0.172,-0.192,-0.209,-0.224,-0.238,-0.250,\n &-0.262,-0.272,-0.282,-0.292,-0.301,-0.310,-0.318,-0.326,-0.333,\n &-0.341,-0.348,-0.355,-0.362,-0.368,-0.375,-0.381,-0.387,-0.393,\n &-0.398,-0.404,-0.410,-0.415,-0.420,-0.426,-0.431,-0.436,-0.441,\n &-0.446,-0.450,-0.455,-0.460,-0.464,-0.469,-0.473,-0.477,-0.482,\n &-0.486,-0.490,-0.494,-0.498,-0.502,-0.506,-0.510,-0.514,-0.518,\n &-0.521,-0.525,-0.529,-0.532,-0.536,-0.539,-0.543,-0.546,-0.550,\n &-0.553,-0.556,-0.560,-0.563,-0.566,-0.570,-0.573,-0.576,-0.579,\n &-0.582,-0.585,-0.588,-0.592,-0.595,-0.598,-0.601,-0.604,-0.607,\n &-0.610,-0.613,-0.616,-0.619,-0.622,-0.624,-0.627,-0.630,-0.633,\n &-0.636,-0.639,-0.642,-0.645,-0.647,-0.650,-0.653,-0.656,-0.659,\n &-0.662,-0.664,-0.667,-0.670,-0.673,-0.675,-0.678,-0.681,-0.684,\n &-0.686,-0.689,-0.692,-0.694,-0.697,-0.700,-0.702,-0.705,-0.708,\n &-0.710,-0.713,-0.716,-0.718,-0.721,-0.723,-0.726,-0.729,-0.731,\n &-0.734,-0.736,-0.739,-0.741,-0.744,-0.746,-0.749,-0.751,-0.754,\n &-0.756,-0.759,-0.761,-0.764,-0.766,-0.768,-0.771,-0.773,-0.776,\n &-0.778,-0.780,-0.783,-0.785,-0.787,-0.790,-0.792,-0.794,-0.797,\n &-0.799,-0.801,-0.804,-0.806,-0.808,-0.810,-0.813,-0.815,-0.817,\n &-0.819,-0.822,-0.824,-0.826,-0.828,-0.831,-0.833,-0.835,-0.837,\n &-0.839,-0.841,-0.844,-0.846,-0.848,-0.850,-0.852,-0.854,-0.856,\n &-0.858,-0.860,-0.863,-0.865,-0.867,-0.869,-0.871,-0.873,-0.875,\n &-0.877,-0.879,-0.881,-0.883,-0.885,-0.887,-0.889,-0.891,-0.893,\n &-0.895,-0.897,-0.899,-0.901,-0.903,-0.905,-0.907,-0.909,-0.911,\n &-0.913,-0.915,-0.917,-0.919,-0.920,-0.922,-0.924,-0.926,-0.928,\n &-0.930,-0.932,-0.934,-0.936,-0.938,-0.939,-0.941,-0.943,-0.945,\n &-0.947,-0.949,-0.950,-0.952,-0.954,-0.956,-0.958,-0.960,-0.961,\n &-0.963,-0.965,-0.967,-0.969,-0.970,-0.972,-0.974,-0.976,-0.977,\n &-0.979,-0.981,-0.983,-0.984,-0.986,-0.988,-0.990,-0.991,-0.993,\n &-0.995,-0.997,-0.998,-1.000,-1.002,-1.003,-1.005,-1.007,-1.008,\n &-1.010,-1.012,-1.013,-1.015,-1.017,-1.019,-1.020,-1.022,-1.023,\n &-1.025,-1.027,-1.028,-1.030,-1.032,-1.033,-1.035,-1.037,-1.038,\n &-1.040,-1.041,-1.043,-1.045,-1.046,-1.048,-1.049,-1.051,-1.053,\n &-1.054,-1.056,-1.057,-1.059,-1.061,-1.062,-1.064,-1.065,-1.067,\n &-1.068,-1.070,-1.071,-1.073,-1.075,-1.076,-1.078,-1.079,-1.081,\n &-1.082,-1.084,-1.085,-1.087,-1.088,-1.090,-1.091,-1.093,-1.094,\n &-1.096,-1.097,-1.099,-1.100,-1.102,-1.103,-1.105,-1.106,-1.108,\n &-1.109,-1.111,-1.112,-1.114,-1.115,-1.116,-1.118,-1.119,-1.121,\n &-1.122,-1.124,-1.125,-1.127,-1.128,-1.129,-1.131,-1.132,-1.134,\n &-1.135,-1.137,-1.138,-1.139,-1.141,-1.142,-1.144,-1.145,-1.146,\n &-1.148,-1.149,-1.151,-1.152,-1.153,-1.155,-1.156,-1.158,-1.159,\n &-1.160,-1.162,-1.163,-1.164,-1.166,-1.167,-1.168,-1.170,-1.171,\n &-1.173,-1.174,-1.175,-1.177,-1.178,-1.179,-1.181,-1.182,-1.183,\n &-1.185,-1.186,-1.187,-1.189,-1.190,-1.191,-1.193,-1.194,-1.195,\n &-1.197,-1.198,-1.199,-1.200,-1.202,-1.203,-1.204,-1.206,-1.207,\n &-1.208,-1.210,-1.211,-1.212,-1.226,-1.238,-1.251,-1.263,-1.275,\n &-1.287,-1.298,-1.310,-1.321,-1.333,-1.344,-1.355,-1.365,-1.376,\n &-1.387,-1.397,-1.407,-1.417,-1.427,-1.437,-1.447,-1.457,-1.467,\n &-1.476,-1.486,-1.495,-1.505,-1.514,-1.523,-1.532,-1.541,-1.550,\n &-1.559,-1.567,-1.576,-1.585,-1.593,-1.602,-1.610,-1.619,-1.627,\n &-1.635,-1.643,-1.651,-1.659,-1.667,-1.675,-1.683,-1.691,-1.699,\n &-1.707,-1.715,-1.722,-1.730,-1.737,-1.745,-1.752,-1.760,-1.767,\n &-1.775,-1.782,-1.789,-1.797,-1.804,-1.811,-1.818,-1.825,-1.832,\n &-1.840,-1.847,-1.854,-1.861,-1.867,-1.874,-1.881,-1.888,-1.895,\n &-1.902,-1.908,-1.915,-1.922,-1.929,-1.935,-1.942,-1.948,-1.955,\n &-1.962,-1.968,-1.975,-1.981,-1.988,-1.994,-2.000,-2.007,-2.013,\n &-2.020,-2.026,-2.032,-2.039,-2.045,-2.051,-2.057,-2.064,-2.070,\n &-2.076,-2.082,-2.088,-2.094,-2.100,-2.107,-2.113,-2.119,-2.125,\n &-2.131,-2.137,-2.143,-2.149,-2.155,-2.161,-2.167,-2.173,-2.179,\n &-2.184,-2.190,-2.196,-2.202,-2.208,-2.214,-2.220,-2.225,-2.231,\n &-2.237,-2.243,-2.248,-2.254,-2.260,-2.266,-2.271,-2.277,-2.283,\n &-2.288,-2.294,-2.300,-2.305,-2.311,-2.317,-2.322,-2.328,-2.333,\n &-2.339,-2.345,-2.350,-2.356,-2.361,-2.367,-2.372,-2.378,-2.383,\n &-2.389,-2.394,-2.400\n & /\nC\nC *** NH4Cl\nC\n DATA BNC06M/\n &-0.049,-0.106,-0.133,-0.151,-0.166,-0.177,-0.187,-0.195,-0.202,\n &-0.208,-0.214,-0.219,-0.224,-0.228,-0.231,-0.235,-0.238,-0.241,\n &-0.244,-0.246,-0.249,-0.251,-0.253,-0.255,-0.257,-0.259,-0.260,\n &-0.262,-0.264,-0.265,-0.266,-0.268,-0.269,-0.270,-0.271,-0.272,\n &-0.273,-0.274,-0.275,-0.276,-0.277,-0.278,-0.278,-0.279,-0.280,\n &-0.281,-0.281,-0.282,-0.283,-0.283,-0.284,-0.284,-0.285,-0.285,\n &-0.286,-0.287,-0.287,-0.288,-0.288,-0.288,-0.289,-0.289,-0.290,\n &-0.290,-0.291,-0.291,-0.291,-0.292,-0.292,-0.292,-0.293,-0.293,\n &-0.293,-0.294,-0.294,-0.294,-0.294,-0.295,-0.295,-0.295,-0.295,\n &-0.296,-0.296,-0.296,-0.296,-0.296,-0.296,-0.297,-0.297,-0.297,\n &-0.297,-0.297,-0.297,-0.297,-0.297,-0.297,-0.297,-0.297,-0.297,\n &-0.297,-0.297,-0.297,-0.297,-0.297,-0.297,-0.297,-0.297,-0.297,\n &-0.297,-0.297,-0.297,-0.297,-0.297,-0.297,-0.297,-0.297,-0.297,\n &-0.296,-0.296,-0.296,-0.296,-0.296,-0.296,-0.296,-0.296,-0.296,\n &-0.295,-0.295,-0.295,-0.295,-0.295,-0.295,-0.295,-0.294,-0.294,\n &-0.294,-0.294,-0.294,-0.294,-0.294,-0.293,-0.293,-0.293,-0.293,\n &-0.293,-0.293,-0.292,-0.292,-0.292,-0.292,-0.292,-0.292,-0.291,\n &-0.291,-0.291,-0.291,-0.291,-0.291,-0.290,-0.290,-0.290,-0.290,\n &-0.290,-0.290,-0.289,-0.289,-0.289,-0.289,-0.289,-0.288,-0.288,\n &-0.288,-0.288,-0.288,-0.288,-0.287,-0.287,-0.287,-0.287,-0.287,\n &-0.287,-0.286,-0.286,-0.286,-0.286,-0.286,-0.286,-0.285,-0.285,\n &-0.285,-0.285,-0.285,-0.284,-0.284,-0.284,-0.284,-0.284,-0.284,\n &-0.283,-0.283,-0.283,-0.283,-0.283,-0.283,-0.282,-0.282,-0.282,\n &-0.282,-0.282,-0.282,-0.281,-0.281,-0.281,-0.281,-0.281,-0.281,\n &-0.280,-0.280,-0.280,-0.280,-0.280,-0.280,-0.279,-0.279,-0.279,\n &-0.279,-0.279,-0.279,-0.278,-0.278,-0.278,-0.278,-0.278,-0.278,\n &-0.277,-0.277,-0.277,-0.277,-0.277,-0.277,-0.276,-0.276,-0.276,\n &-0.276,-0.276,-0.276,-0.276,-0.275,-0.275,-0.275,-0.275,-0.275,\n &-0.275,-0.275,-0.274,-0.274,-0.274,-0.274,-0.274,-0.274,-0.273,\n &-0.273,-0.273,-0.273,-0.273,-0.273,-0.273,-0.272,-0.272,-0.272,\n &-0.272,-0.272,-0.272,-0.272,-0.271,-0.271,-0.271,-0.271,-0.271,\n &-0.271,-0.271,-0.271,-0.270,-0.270,-0.270,-0.270,-0.270,-0.270,\n &-0.270,-0.270,-0.269,-0.269,-0.269,-0.269,-0.269,-0.269,-0.269,\n &-0.268,-0.268,-0.268,-0.268,-0.268,-0.268,-0.268,-0.268,-0.268,\n &-0.267,-0.267,-0.267,-0.267,-0.267,-0.267,-0.267,-0.267,-0.266,\n &-0.266,-0.266,-0.266,-0.266,-0.266,-0.266,-0.266,-0.266,-0.265,\n &-0.265,-0.265,-0.265,-0.265,-0.265,-0.265,-0.265,-0.265,-0.265,\n &-0.264,-0.264,-0.264,-0.264,-0.264,-0.264,-0.264,-0.264,-0.264,\n &-0.264,-0.263,-0.263,-0.263,-0.263,-0.263,-0.263,-0.263,-0.263,\n &-0.263,-0.263,-0.263,-0.262,-0.262,-0.262,-0.262,-0.262,-0.262,\n &-0.262,-0.262,-0.262,-0.262,-0.262,-0.262,-0.261,-0.261,-0.261,\n &-0.261,-0.261,-0.261,-0.261,-0.261,-0.261,-0.261,-0.261,-0.261,\n &-0.261,-0.260,-0.260,-0.260,-0.260,-0.260,-0.260,-0.260,-0.260,\n &-0.260,-0.260,-0.260,-0.260,-0.260,-0.260,-0.259,-0.259,-0.259,\n &-0.259,-0.259,-0.259,-0.259,-0.258,-0.258,-0.257,-0.257,-0.257,\n &-0.256,-0.256,-0.256,-0.256,-0.256,-0.255,-0.255,-0.256,-0.256,\n &-0.256,-0.256,-0.256,-0.256,-0.257,-0.257,-0.257,-0.258,-0.258,\n &-0.259,-0.259,-0.260,-0.260,-0.261,-0.262,-0.262,-0.263,-0.264,\n &-0.265,-0.265,-0.266,-0.267,-0.268,-0.269,-0.270,-0.271,-0.272,\n &-0.273,-0.274,-0.275,-0.277,-0.278,-0.279,-0.280,-0.281,-0.283,\n &-0.284,-0.285,-0.287,-0.288,-0.289,-0.291,-0.292,-0.294,-0.295,\n &-0.297,-0.298,-0.300,-0.301,-0.303,-0.304,-0.306,-0.308,-0.309,\n &-0.311,-0.313,-0.314,-0.316,-0.318,-0.320,-0.321,-0.323,-0.325,\n &-0.327,-0.329,-0.331,-0.332,-0.334,-0.336,-0.338,-0.340,-0.342,\n &-0.344,-0.346,-0.348,-0.350,-0.352,-0.354,-0.356,-0.358,-0.360,\n &-0.362,-0.364,-0.367,-0.369,-0.371,-0.373,-0.375,-0.377,-0.379,\n &-0.382,-0.384,-0.386,-0.388,-0.391,-0.393,-0.395,-0.397,-0.400,\n &-0.402,-0.404,-0.406,-0.409,-0.411,-0.413,-0.416,-0.418,-0.421,\n &-0.423,-0.425,-0.428,-0.430,-0.433,-0.435,-0.437,-0.440,-0.442,\n &-0.445,-0.447,-0.450,-0.452,-0.455,-0.457,-0.460,-0.462,-0.465,\n &-0.467,-0.470,-0.472,-0.475,-0.477,-0.480,-0.483,-0.485,-0.488,\n &-0.490,-0.493,-0.496,-0.498,-0.501,-0.503,-0.506,-0.509,-0.511,\n &-0.514,-0.517,-0.519\n & /\nC\nC *** (2H,SO4)\nC\n DATA BNC07M/\n &-0.100,-0.219,-0.279,-0.321,-0.354,-0.382,-0.406,-0.427,-0.446,\n &-0.463,-0.479,-0.493,-0.506,-0.519,-0.531,-0.542,-0.552,-0.562,\n &-0.572,-0.581,-0.590,-0.598,-0.606,-0.614,-0.622,-0.629,-0.636,\n &-0.643,-0.650,-0.656,-0.662,-0.668,-0.674,-0.680,-0.686,-0.692,\n &-0.697,-0.702,-0.707,-0.713,-0.718,-0.722,-0.727,-0.732,-0.737,\n &-0.741,-0.746,-0.750,-0.754,-0.759,-0.763,-0.767,-0.771,-0.775,\n &-0.779,-0.783,-0.787,-0.791,-0.794,-0.798,-0.802,-0.805,-0.809,\n &-0.813,-0.816,-0.820,-0.823,-0.826,-0.830,-0.833,-0.836,-0.840,\n &-0.843,-0.846,-0.849,-0.852,-0.855,-0.859,-0.862,-0.865,-0.868,\n &-0.871,-0.874,-0.877,-0.879,-0.882,-0.885,-0.888,-0.891,-0.894,\n &-0.897,-0.899,-0.902,-0.905,-0.908,-0.910,-0.913,-0.916,-0.918,\n &-0.921,-0.924,-0.926,-0.929,-0.932,-0.934,-0.937,-0.939,-0.942,\n &-0.944,-0.947,-0.949,-0.952,-0.954,-0.957,-0.959,-0.962,-0.964,\n &-0.967,-0.969,-0.971,-0.974,-0.976,-0.978,-0.981,-0.983,-0.985,\n &-0.988,-0.990,-0.992,-0.995,-0.997,-0.999,-1.002,-1.004,-1.006,\n &-1.008,-1.011,-1.013,-1.015,-1.017,-1.019,-1.022,-1.024,-1.026,\n &-1.028,-1.030,-1.032,-1.034,-1.037,-1.039,-1.041,-1.043,-1.045,\n &-1.047,-1.049,-1.051,-1.053,-1.056,-1.058,-1.060,-1.062,-1.064,\n &-1.066,-1.068,-1.070,-1.072,-1.074,-1.076,-1.078,-1.080,-1.082,\n &-1.084,-1.086,-1.088,-1.090,-1.092,-1.094,-1.096,-1.098,-1.099,\n &-1.101,-1.103,-1.105,-1.107,-1.109,-1.111,-1.113,-1.115,-1.117,\n &-1.119,-1.121,-1.122,-1.124,-1.126,-1.128,-1.130,-1.132,-1.134,\n &-1.135,-1.137,-1.139,-1.141,-1.143,-1.145,-1.146,-1.148,-1.150,\n &-1.152,-1.154,-1.156,-1.157,-1.159,-1.161,-1.163,-1.165,-1.166,\n &-1.168,-1.170,-1.172,-1.173,-1.175,-1.177,-1.179,-1.180,-1.182,\n &-1.184,-1.186,-1.187,-1.189,-1.191,-1.193,-1.194,-1.196,-1.198,\n &-1.200,-1.201,-1.203,-1.205,-1.206,-1.208,-1.210,-1.212,-1.213,\n &-1.215,-1.217,-1.218,-1.220,-1.222,-1.223,-1.225,-1.227,-1.228,\n &-1.230,-1.232,-1.233,-1.235,-1.237,-1.238,-1.240,-1.242,-1.243,\n &-1.245,-1.247,-1.248,-1.250,-1.251,-1.253,-1.255,-1.256,-1.258,\n &-1.260,-1.261,-1.263,-1.264,-1.266,-1.268,-1.269,-1.271,-1.273,\n &-1.274,-1.276,-1.277,-1.279,-1.280,-1.282,-1.284,-1.285,-1.287,\n &-1.288,-1.290,-1.292,-1.293,-1.295,-1.296,-1.298,-1.299,-1.301,\n &-1.303,-1.304,-1.306,-1.307,-1.309,-1.310,-1.312,-1.313,-1.315,\n &-1.317,-1.318,-1.320,-1.321,-1.323,-1.324,-1.326,-1.327,-1.329,\n &-1.330,-1.332,-1.333,-1.335,-1.337,-1.338,-1.340,-1.341,-1.343,\n &-1.344,-1.346,-1.347,-1.349,-1.350,-1.352,-1.353,-1.355,-1.356,\n &-1.358,-1.359,-1.361,-1.362,-1.364,-1.365,-1.367,-1.368,-1.370,\n &-1.371,-1.373,-1.374,-1.376,-1.377,-1.379,-1.380,-1.381,-1.383,\n &-1.384,-1.386,-1.387,-1.389,-1.390,-1.392,-1.393,-1.395,-1.396,\n &-1.398,-1.399,-1.401,-1.402,-1.403,-1.405,-1.406,-1.408,-1.409,\n &-1.411,-1.412,-1.414,-1.415,-1.416,-1.418,-1.419,-1.421,-1.422,\n &-1.424,-1.425,-1.427,-1.428,-1.429,-1.431,-1.432,-1.434,-1.435,\n &-1.437,-1.438,-1.439,-1.441,-1.442,-1.444,-1.445,-1.447,-1.448,\n &-1.449,-1.451,-1.452,-1.454,-1.469,-1.483,-1.497,-1.510,-1.524,\n &-1.537,-1.551,-1.564,-1.578,-1.591,-1.604,-1.617,-1.630,-1.643,\n &-1.656,-1.669,-1.681,-1.694,-1.707,-1.719,-1.732,-1.744,-1.756,\n &-1.769,-1.781,-1.793,-1.806,-1.818,-1.830,-1.842,-1.854,-1.866,\n &-1.878,-1.890,-1.902,-1.914,-1.925,-1.937,-1.949,-1.961,-1.972,\n &-1.984,-1.996,-2.007,-2.019,-2.030,-2.042,-2.053,-2.065,-2.076,\n &-2.087,-2.099,-2.110,-2.121,-2.133,-2.144,-2.155,-2.166,-2.178,\n &-2.189,-2.200,-2.211,-2.222,-2.233,-2.244,-2.255,-2.266,-2.277,\n &-2.288,-2.299,-2.310,-2.321,-2.332,-2.343,-2.354,-2.365,-2.375,\n &-2.386,-2.397,-2.408,-2.419,-2.429,-2.440,-2.451,-2.461,-2.472,\n &-2.483,-2.494,-2.504,-2.515,-2.525,-2.536,-2.547,-2.557,-2.568,\n &-2.578,-2.589,-2.599,-2.610,-2.620,-2.631,-2.641,-2.652,-2.662,\n &-2.673,-2.683,-2.693,-2.704,-2.714,-2.725,-2.735,-2.745,-2.756,\n &-2.766,-2.776,-2.787,-2.797,-2.807,-2.817,-2.828,-2.838,-2.848,\n &-2.858,-2.869,-2.879,-2.889,-2.899,-2.909,-2.920,-2.930,-2.940,\n &-2.950,-2.960,-2.970,-2.980,-2.991,-3.001,-3.011,-3.021,-3.031,\n &-3.041,-3.051,-3.061,-3.071,-3.081,-3.091,-3.101,-3.111,-3.121,\n &-3.131,-3.141,-3.151,-3.161,-3.171,-3.181,-3.191,-3.201,-3.211,\n &-3.221,-3.231,-3.241\n & /\nC\nC *** (H,HSO4)\nC\n DATA BNC08M/\n &-0.047,-0.091,-0.109,-0.119,-0.125,-0.128,-0.130,-0.131,-0.130,\n &-0.129,-0.128,-0.125,-0.122,-0.119,-0.115,-0.111,-0.107,-0.102,\n &-0.097,-0.092,-0.086,-0.080,-0.074,-0.068,-0.062,-0.055,-0.048,\n &-0.041,-0.034,-0.027,-0.019,-0.012,-0.004, 0.004, 0.012, 0.020,\n & 0.028, 0.037, 0.045, 0.054, 0.063, 0.071, 0.080, 0.089, 0.098,\n & 0.108, 0.117, 0.126, 0.136, 0.145, 0.155, 0.164, 0.174, 0.184,\n & 0.193, 0.203, 0.213, 0.223, 0.233, 0.243, 0.253, 0.263, 0.274,\n & 0.284, 0.294, 0.304, 0.315, 0.325, 0.336, 0.346, 0.357, 0.368,\n & 0.378, 0.389, 0.400, 0.411, 0.421, 0.432, 0.443, 0.455, 0.466,\n & 0.477, 0.488, 0.499, 0.511, 0.522, 0.534, 0.545, 0.557, 0.568,\n & 0.580, 0.592, 0.604, 0.615, 0.627, 0.639, 0.651, 0.664, 0.676,\n & 0.688, 0.700, 0.712, 0.725, 0.737, 0.749, 0.762, 0.774, 0.787,\n & 0.799, 0.812, 0.824, 0.837, 0.849, 0.862, 0.875, 0.887, 0.900,\n & 0.913, 0.925, 0.938, 0.951, 0.963, 0.976, 0.989, 1.001, 1.014,\n & 1.027, 1.039, 1.052, 1.064, 1.077, 1.090, 1.102, 1.115, 1.127,\n & 1.140, 1.152, 1.165, 1.177, 1.190, 1.202, 1.215, 1.227, 1.239,\n & 1.252, 1.264, 1.276, 1.289, 1.301, 1.313, 1.325, 1.338, 1.350,\n & 1.362, 1.374, 1.386, 1.398, 1.410, 1.422, 1.434, 1.446, 1.458,\n & 1.470, 1.482, 1.494, 1.506, 1.518, 1.530, 1.541, 1.553, 1.565,\n & 1.577, 1.588, 1.600, 1.612, 1.623, 1.635, 1.646, 1.658, 1.669,\n & 1.681, 1.692, 1.704, 1.715, 1.727, 1.738, 1.749, 1.761, 1.772,\n & 1.783, 1.794, 1.806, 1.817, 1.828, 1.839, 1.850, 1.861, 1.872,\n & 1.883, 1.894, 1.905, 1.916, 1.927, 1.938, 1.949, 1.960, 1.971,\n & 1.982, 1.992, 2.003, 2.014, 2.025, 2.035, 2.046, 2.057, 2.067,\n & 2.078, 2.088, 2.099, 2.109, 2.120, 2.130, 2.141, 2.151, 2.162,\n & 2.172, 2.182, 2.193, 2.203, 2.213, 2.224, 2.234, 2.244, 2.254,\n & 2.265, 2.275, 2.285, 2.295, 2.305, 2.315, 2.325, 2.335, 2.345,\n & 2.355, 2.365, 2.375, 2.385, 2.395, 2.405, 2.415, 2.424, 2.434,\n & 2.444, 2.454, 2.464, 2.473, 2.483, 2.493, 2.502, 2.512, 2.522,\n & 2.531, 2.541, 2.550, 2.560, 2.569, 2.579, 2.588, 2.598, 2.607,\n & 2.617, 2.626, 2.635, 2.645, 2.654, 2.663, 2.673, 2.682, 2.691,\n & 2.701, 2.710, 2.719, 2.728, 2.737, 2.746, 2.756, 2.765, 2.774,\n & 2.783, 2.792, 2.801, 2.810, 2.819, 2.828, 2.837, 2.846, 2.855,\n & 2.864, 2.873, 2.881, 2.890, 2.899, 2.908, 2.917, 2.925, 2.934,\n & 2.943, 2.952, 2.960, 2.969, 2.978, 2.986, 2.995, 3.004, 3.012,\n & 3.021, 3.029, 3.038, 3.047, 3.055, 3.064, 3.072, 3.080, 3.089,\n & 3.097, 3.106, 3.114, 3.123, 3.131, 3.139, 3.148, 3.156, 3.164,\n & 3.173, 3.181, 3.189, 3.197, 3.206, 3.214, 3.222, 3.230, 3.238,\n & 3.246, 3.255, 3.263, 3.271, 3.279, 3.287, 3.295, 3.303, 3.311,\n & 3.319, 3.327, 3.335, 3.343, 3.351, 3.359, 3.367, 3.375, 3.383,\n & 3.390, 3.398, 3.406, 3.414, 3.422, 3.430, 3.437, 3.445, 3.453,\n & 3.461, 3.468, 3.476, 3.484, 3.492, 3.499, 3.507, 3.515, 3.522,\n & 3.530, 3.537, 3.545, 3.553, 3.560, 3.568, 3.575, 3.583, 3.590,\n & 3.598, 3.605, 3.613, 3.620, 3.628, 3.635, 3.642, 3.650, 3.657,\n & 3.665, 3.672, 3.679, 3.687, 3.765, 3.837, 3.907, 3.976, 4.044,\n & 4.111, 4.176, 4.241, 4.305, 4.368, 4.429, 4.490, 4.550, 4.609,\n & 4.668, 4.725, 4.782, 4.838, 4.893, 4.947, 5.001, 5.054, 5.106,\n & 5.157, 5.208, 5.259, 5.308, 5.357, 5.406, 5.453, 5.501, 5.547,\n & 5.593, 5.639, 5.684, 5.729, 5.773, 5.816, 5.859, 5.902, 5.944,\n & 5.986, 6.027, 6.068, 6.108, 6.148, 6.188, 6.227, 6.265, 6.304,\n & 6.342, 6.379, 6.416, 6.453, 6.490, 6.526, 6.562, 6.597, 6.632,\n & 6.667, 6.701, 6.735, 6.769, 6.803, 6.836, 6.869, 6.901, 6.934,\n & 6.966, 6.997, 7.029, 7.060, 7.091, 7.122, 7.152, 7.182, 7.212,\n & 7.242, 7.271, 7.300, 7.329, 7.358, 7.386, 7.415, 7.443, 7.470,\n & 7.498, 7.525, 7.552, 7.579, 7.606, 7.633, 7.659, 7.685, 7.711,\n & 7.737, 7.762, 7.788, 7.813, 7.838, 7.862, 7.887, 7.912, 7.936,\n & 7.960, 7.984, 8.008, 8.031, 8.055, 8.078, 8.101, 8.124, 8.147,\n & 8.169, 8.192, 8.214, 8.236, 8.258, 8.280, 8.302, 8.323, 8.345,\n & 8.366, 8.387, 8.408, 8.429, 8.450, 8.470, 8.491, 8.511, 8.531,\n & 8.552, 8.572, 8.591, 8.611, 8.631, 8.650, 8.670, 8.689, 8.708,\n & 8.727, 8.746, 8.765, 8.783, 8.802, 8.820, 8.839, 8.857, 8.875,\n & 8.893, 8.911, 8.929, 8.946, 8.964, 8.981, 8.999, 9.016, 9.033,\n & 9.050, 9.067, 9.084\n & /\nC\nC *** NH4HSO4\nC\n DATA BNC09M/\n &-0.049,-0.104,-0.131,-0.149,-0.163,-0.174,-0.184,-0.192,-0.199,\n &-0.205,-0.211,-0.216,-0.220,-0.224,-0.228,-0.231,-0.234,-0.236,\n &-0.238,-0.240,-0.242,-0.244,-0.245,-0.247,-0.248,-0.248,-0.249,\n &-0.250,-0.250,-0.250,-0.251,-0.251,-0.250,-0.250,-0.250,-0.249,\n &-0.249,-0.248,-0.247,-0.247,-0.246,-0.245,-0.243,-0.242,-0.241,\n &-0.240,-0.238,-0.237,-0.235,-0.233,-0.232,-0.230,-0.228,-0.226,\n &-0.224,-0.222,-0.220,-0.218,-0.216,-0.214,-0.211,-0.209,-0.207,\n &-0.204,-0.202,-0.199,-0.197,-0.194,-0.192,-0.189,-0.187,-0.184,\n &-0.181,-0.178,-0.176,-0.173,-0.170,-0.167,-0.164,-0.161,-0.158,\n &-0.155,-0.152,-0.149,-0.146,-0.142,-0.139,-0.136,-0.133,-0.129,\n &-0.126,-0.123,-0.119,-0.116,-0.112,-0.109,-0.105,-0.102,-0.098,\n &-0.095,-0.091,-0.088,-0.084,-0.080,-0.077,-0.073,-0.069,-0.066,\n &-0.062,-0.058,-0.055,-0.051,-0.047,-0.043,-0.039,-0.036,-0.032,\n &-0.028,-0.024,-0.020,-0.017,-0.013,-0.009,-0.005,-0.001, 0.002,\n & 0.006, 0.010, 0.014, 0.018, 0.021, 0.025, 0.029, 0.033, 0.037,\n & 0.040, 0.044, 0.048, 0.052, 0.055, 0.059, 0.063, 0.067, 0.070,\n & 0.074, 0.078, 0.081, 0.085, 0.089, 0.093, 0.096, 0.100, 0.104,\n & 0.107, 0.111, 0.114, 0.118, 0.122, 0.125, 0.129, 0.133, 0.136,\n & 0.140, 0.143, 0.147, 0.150, 0.154, 0.157, 0.161, 0.165, 0.168,\n & 0.172, 0.175, 0.178, 0.182, 0.185, 0.189, 0.192, 0.196, 0.199,\n & 0.203, 0.206, 0.209, 0.213, 0.216, 0.220, 0.223, 0.226, 0.230,\n & 0.233, 0.236, 0.240, 0.243, 0.246, 0.250, 0.253, 0.256, 0.259,\n & 0.263, 0.266, 0.269, 0.272, 0.276, 0.279, 0.282, 0.285, 0.289,\n & 0.292, 0.295, 0.298, 0.301, 0.304, 0.308, 0.311, 0.314, 0.317,\n & 0.320, 0.323, 0.326, 0.329, 0.332, 0.336, 0.339, 0.342, 0.345,\n & 0.348, 0.351, 0.354, 0.357, 0.360, 0.363, 0.366, 0.369, 0.372,\n & 0.375, 0.378, 0.381, 0.384, 0.387, 0.390, 0.393, 0.395, 0.398,\n & 0.401, 0.404, 0.407, 0.410, 0.413, 0.416, 0.419, 0.421, 0.424,\n & 0.427, 0.430, 0.433, 0.436, 0.438, 0.441, 0.444, 0.447, 0.450,\n & 0.452, 0.455, 0.458, 0.461, 0.464, 0.466, 0.469, 0.472, 0.475,\n & 0.477, 0.480, 0.483, 0.485, 0.488, 0.491, 0.493, 0.496, 0.499,\n & 0.501, 0.504, 0.507, 0.509, 0.512, 0.515, 0.517, 0.520, 0.523,\n & 0.525, 0.528, 0.530, 0.533, 0.536, 0.538, 0.541, 0.543, 0.546,\n & 0.548, 0.551, 0.554, 0.556, 0.559, 0.561, 0.564, 0.566, 0.569,\n & 0.571, 0.574, 0.576, 0.579, 0.581, 0.584, 0.586, 0.589, 0.591,\n & 0.594, 0.596, 0.598, 0.601, 0.603, 0.606, 0.608, 0.611, 0.613,\n & 0.615, 0.618, 0.620, 0.623, 0.625, 0.627, 0.630, 0.632, 0.635,\n & 0.637, 0.639, 0.642, 0.644, 0.646, 0.649, 0.651, 0.653, 0.656,\n & 0.658, 0.660, 0.663, 0.665, 0.667, 0.670, 0.672, 0.674, 0.676,\n & 0.679, 0.681, 0.683, 0.685, 0.688, 0.690, 0.692, 0.694, 0.697,\n & 0.699, 0.701, 0.703, 0.706, 0.708, 0.710, 0.712, 0.714, 0.717,\n & 0.719, 0.721, 0.723, 0.725, 0.728, 0.730, 0.732, 0.734, 0.736,\n & 0.738, 0.741, 0.743, 0.745, 0.747, 0.749, 0.751, 0.753, 0.756,\n & 0.758, 0.760, 0.762, 0.764, 0.766, 0.768, 0.770, 0.772, 0.774,\n & 0.777, 0.779, 0.781, 0.783, 0.805, 0.825, 0.845, 0.864, 0.883,\n & 0.901, 0.920, 0.938, 0.955, 0.973, 0.990, 1.006, 1.023, 1.039,\n & 1.055, 1.071, 1.086, 1.101, 1.116, 1.131, 1.145, 1.160, 1.174,\n & 1.188, 1.201, 1.215, 1.228, 1.241, 1.254, 1.266, 1.279, 1.291,\n & 1.303, 1.315, 1.327, 1.339, 1.350, 1.361, 1.372, 1.383, 1.394,\n & 1.405, 1.416, 1.426, 1.436, 1.446, 1.456, 1.466, 1.476, 1.486,\n & 1.495, 1.505, 1.514, 1.523, 1.532, 1.541, 1.550, 1.559, 1.567,\n & 1.576, 1.584, 1.592, 1.601, 1.609, 1.617, 1.625, 1.632, 1.640,\n & 1.648, 1.655, 1.663, 1.670, 1.677, 1.684, 1.692, 1.699, 1.706,\n & 1.712, 1.719, 1.726, 1.732, 1.739, 1.746, 1.752, 1.758, 1.765,\n & 1.771, 1.777, 1.783, 1.789, 1.795, 1.801, 1.806, 1.812, 1.818,\n & 1.823, 1.829, 1.834, 1.840, 1.845, 1.850, 1.856, 1.861, 1.866,\n & 1.871, 1.876, 1.881, 1.886, 1.891, 1.896, 1.900, 1.905, 1.910,\n & 1.914, 1.919, 1.923, 1.928, 1.932, 1.937, 1.941, 1.945, 1.949,\n & 1.953, 1.958, 1.962, 1.966, 1.970, 1.974, 1.978, 1.981, 1.985,\n & 1.989, 1.993, 1.996, 2.000, 2.004, 2.007, 2.011, 2.014, 2.018,\n & 2.021, 2.025, 2.028, 2.031, 2.035, 2.038, 2.041, 2.044, 2.047,\n & 2.050, 2.053, 2.056, 2.059, 2.062, 2.065, 2.068, 2.071, 2.074,\n & 2.077, 2.080, 2.082\n & /\nC\nC *** (H,NO3)\nC\n DATA BNC10M/\n &-0.048,-0.100,-0.123,-0.137,-0.147,-0.155,-0.161,-0.165,-0.169,\n &-0.172,-0.174,-0.175,-0.177,-0.177,-0.178,-0.178,-0.178,-0.177,\n &-0.177,-0.176,-0.175,-0.174,-0.173,-0.172,-0.171,-0.169,-0.168,\n &-0.166,-0.165,-0.163,-0.161,-0.159,-0.157,-0.156,-0.154,-0.152,\n &-0.150,-0.148,-0.146,-0.144,-0.141,-0.139,-0.137,-0.135,-0.133,\n &-0.131,-0.129,-0.127,-0.124,-0.122,-0.120,-0.118,-0.116,-0.113,\n &-0.111,-0.109,-0.107,-0.105,-0.102,-0.100,-0.098,-0.096,-0.094,\n &-0.091,-0.089,-0.087,-0.085,-0.082,-0.080,-0.078,-0.076,-0.073,\n &-0.071,-0.069,-0.067,-0.064,-0.062,-0.060,-0.057,-0.055,-0.052,\n &-0.050,-0.048,-0.045,-0.043,-0.040,-0.038,-0.035,-0.033,-0.030,\n &-0.027,-0.025,-0.022,-0.020,-0.017,-0.014,-0.012,-0.009,-0.006,\n &-0.004,-0.001, 0.002, 0.005, 0.007, 0.010, 0.013, 0.016, 0.019,\n & 0.021, 0.024, 0.027, 0.030, 0.033, 0.036, 0.039, 0.041, 0.044,\n & 0.047, 0.050, 0.053, 0.056, 0.059, 0.062, 0.065, 0.068, 0.071,\n & 0.073, 0.076, 0.079, 0.082, 0.085, 0.088, 0.091, 0.094, 0.097,\n & 0.100, 0.103, 0.105, 0.108, 0.111, 0.114, 0.117, 0.120, 0.123,\n & 0.126, 0.129, 0.131, 0.134, 0.137, 0.140, 0.143, 0.146, 0.149,\n & 0.152, 0.154, 0.157, 0.160, 0.163, 0.166, 0.169, 0.171, 0.174,\n & 0.177, 0.180, 0.183, 0.186, 0.188, 0.191, 0.194, 0.197, 0.200,\n & 0.202, 0.205, 0.208, 0.211, 0.213, 0.216, 0.219, 0.222, 0.224,\n & 0.227, 0.230, 0.233, 0.235, 0.238, 0.241, 0.244, 0.246, 0.249,\n & 0.252, 0.254, 0.257, 0.260, 0.263, 0.265, 0.268, 0.271, 0.273,\n & 0.276, 0.279, 0.281, 0.284, 0.287, 0.289, 0.292, 0.294, 0.297,\n & 0.300, 0.302, 0.305, 0.308, 0.310, 0.313, 0.315, 0.318, 0.321,\n & 0.323, 0.326, 0.328, 0.331, 0.333, 0.336, 0.339, 0.341, 0.344,\n & 0.346, 0.349, 0.351, 0.354, 0.356, 0.359, 0.361, 0.364, 0.366,\n & 0.369, 0.372, 0.374, 0.376, 0.379, 0.381, 0.384, 0.386, 0.389,\n & 0.391, 0.394, 0.396, 0.399, 0.401, 0.404, 0.406, 0.409, 0.411,\n & 0.413, 0.416, 0.418, 0.421, 0.423, 0.425, 0.428, 0.430, 0.433,\n & 0.435, 0.437, 0.440, 0.442, 0.445, 0.447, 0.449, 0.452, 0.454,\n & 0.456, 0.459, 0.461, 0.463, 0.466, 0.468, 0.470, 0.473, 0.475,\n & 0.477, 0.480, 0.482, 0.484, 0.486, 0.489, 0.491, 0.493, 0.496,\n & 0.498, 0.500, 0.502, 0.505, 0.507, 0.509, 0.511, 0.514, 0.516,\n & 0.518, 0.520, 0.523, 0.525, 0.527, 0.529, 0.531, 0.534, 0.536,\n & 0.538, 0.540, 0.542, 0.545, 0.547, 0.549, 0.551, 0.553, 0.555,\n & 0.558, 0.560, 0.562, 0.564, 0.566, 0.568, 0.570, 0.573, 0.575,\n & 0.577, 0.579, 0.581, 0.583, 0.585, 0.587, 0.590, 0.592, 0.594,\n & 0.596, 0.598, 0.600, 0.602, 0.604, 0.606, 0.608, 0.610, 0.612,\n & 0.614, 0.617, 0.619, 0.621, 0.623, 0.625, 0.627, 0.629, 0.631,\n & 0.633, 0.635, 0.637, 0.639, 0.641, 0.643, 0.645, 0.647, 0.649,\n & 0.651, 0.653, 0.655, 0.657, 0.659, 0.661, 0.663, 0.665, 0.667,\n & 0.669, 0.671, 0.673, 0.674, 0.676, 0.678, 0.680, 0.682, 0.684,\n & 0.686, 0.688, 0.690, 0.692, 0.694, 0.696, 0.698, 0.700, 0.701,\n & 0.703, 0.705, 0.707, 0.709, 0.711, 0.713, 0.715, 0.716, 0.718,\n & 0.720, 0.722, 0.724, 0.726, 0.746, 0.764, 0.781, 0.799, 0.816,\n & 0.833, 0.849, 0.866, 0.882, 0.897, 0.913, 0.928, 0.943, 0.958,\n & 0.972, 0.987, 1.001, 1.015, 1.028, 1.042, 1.055, 1.068, 1.081,\n & 1.093, 1.106, 1.118, 1.130, 1.142, 1.154, 1.165, 1.177, 1.188,\n & 1.199, 1.210, 1.221, 1.231, 1.242, 1.252, 1.262, 1.272, 1.282,\n & 1.292, 1.301, 1.311, 1.320, 1.329, 1.338, 1.347, 1.356, 1.365,\n & 1.374, 1.382, 1.391, 1.399, 1.407, 1.415, 1.423, 1.431, 1.439,\n & 1.446, 1.454, 1.462, 1.469, 1.476, 1.483, 1.491, 1.498, 1.505,\n & 1.511, 1.518, 1.525, 1.531, 1.538, 1.544, 1.551, 1.557, 1.563,\n & 1.569, 1.576, 1.582, 1.587, 1.593, 1.599, 1.605, 1.610, 1.616,\n & 1.622, 1.627, 1.632, 1.638, 1.643, 1.648, 1.653, 1.658, 1.663,\n & 1.668, 1.673, 1.678, 1.683, 1.688, 1.692, 1.697, 1.701, 1.706,\n & 1.710, 1.715, 1.719, 1.723, 1.728, 1.732, 1.736, 1.740, 1.744,\n & 1.748, 1.752, 1.756, 1.760, 1.764, 1.768, 1.771, 1.775, 1.779,\n & 1.782, 1.786, 1.789, 1.793, 1.796, 1.800, 1.803, 1.806, 1.810,\n & 1.813, 1.816, 1.819, 1.822, 1.825, 1.828, 1.831, 1.834, 1.837,\n & 1.840, 1.843, 1.846, 1.849, 1.852, 1.854, 1.857, 1.860, 1.862,\n & 1.865, 1.867, 1.870, 1.872, 1.875, 1.877, 1.880, 1.882, 1.885,\n & 1.887, 1.889, 1.891\n & /\nC\nC *** (H,Cl)\nC\n DATA BNC11M/\n &-0.047,-0.093,-0.111,-0.121,-0.127,-0.131,-0.133,-0.134,-0.133,\n &-0.132,-0.131,-0.128,-0.126,-0.123,-0.119,-0.115,-0.111,-0.107,\n &-0.102,-0.098,-0.093,-0.088,-0.082,-0.077,-0.071,-0.065,-0.060,\n &-0.054,-0.048,-0.041,-0.035,-0.029,-0.022,-0.016,-0.009,-0.003,\n & 0.004, 0.011, 0.018, 0.025, 0.032, 0.038, 0.045, 0.053, 0.060,\n & 0.067, 0.074, 0.081, 0.088, 0.095, 0.103, 0.110, 0.117, 0.124,\n & 0.132, 0.139, 0.146, 0.154, 0.161, 0.168, 0.176, 0.183, 0.191,\n & 0.198, 0.206, 0.213, 0.221, 0.228, 0.236, 0.243, 0.251, 0.258,\n & 0.266, 0.274, 0.281, 0.289, 0.297, 0.305, 0.312, 0.320, 0.328,\n & 0.336, 0.344, 0.352, 0.360, 0.368, 0.376, 0.384, 0.393, 0.401,\n & 0.409, 0.417, 0.426, 0.434, 0.443, 0.451, 0.460, 0.468, 0.477,\n & 0.485, 0.494, 0.503, 0.511, 0.520, 0.529, 0.538, 0.546, 0.555,\n & 0.564, 0.573, 0.582, 0.591, 0.600, 0.608, 0.617, 0.626, 0.635,\n & 0.644, 0.653, 0.662, 0.671, 0.680, 0.689, 0.698, 0.707, 0.716,\n & 0.725, 0.734, 0.743, 0.752, 0.761, 0.770, 0.779, 0.788, 0.796,\n & 0.805, 0.814, 0.823, 0.832, 0.841, 0.850, 0.859, 0.867, 0.876,\n & 0.885, 0.894, 0.903, 0.911, 0.920, 0.929, 0.937, 0.946, 0.955,\n & 0.964, 0.972, 0.981, 0.989, 0.998, 1.007, 1.015, 1.024, 1.032,\n & 1.041, 1.049, 1.058, 1.066, 1.075, 1.083, 1.092, 1.100, 1.109,\n & 1.117, 1.125, 1.134, 1.142, 1.150, 1.159, 1.167, 1.175, 1.183,\n & 1.192, 1.200, 1.208, 1.216, 1.224, 1.233, 1.241, 1.249, 1.257,\n & 1.265, 1.273, 1.281, 1.289, 1.297, 1.305, 1.313, 1.321, 1.329,\n & 1.337, 1.345, 1.353, 1.361, 1.369, 1.377, 1.384, 1.392, 1.400,\n & 1.408, 1.416, 1.423, 1.431, 1.439, 1.447, 1.454, 1.462, 1.470,\n & 1.477, 1.485, 1.493, 1.500, 1.508, 1.515, 1.523, 1.530, 1.538,\n & 1.545, 1.553, 1.560, 1.568, 1.575, 1.583, 1.590, 1.598, 1.605,\n & 1.612, 1.620, 1.627, 1.634, 1.642, 1.649, 1.656, 1.663, 1.671,\n & 1.678, 1.685, 1.692, 1.699, 1.707, 1.714, 1.721, 1.728, 1.735,\n & 1.742, 1.749, 1.756, 1.763, 1.770, 1.778, 1.785, 1.791, 1.798,\n & 1.805, 1.812, 1.819, 1.826, 1.833, 1.840, 1.847, 1.854, 1.861,\n & 1.867, 1.874, 1.881, 1.888, 1.895, 1.901, 1.908, 1.915, 1.922,\n & 1.928, 1.935, 1.942, 1.948, 1.955, 1.962, 1.968, 1.975, 1.981,\n & 1.988, 1.995, 2.001, 2.008, 2.014, 2.021, 2.027, 2.034, 2.040,\n & 2.047, 2.053, 2.060, 2.066, 2.072, 2.079, 2.085, 2.092, 2.098,\n & 2.104, 2.111, 2.117, 2.123, 2.130, 2.136, 2.142, 2.148, 2.155,\n & 2.161, 2.167, 2.173, 2.180, 2.186, 2.192, 2.198, 2.204, 2.210,\n & 2.216, 2.223, 2.229, 2.235, 2.241, 2.247, 2.253, 2.259, 2.265,\n & 2.271, 2.277, 2.283, 2.289, 2.295, 2.301, 2.307, 2.313, 2.319,\n & 2.325, 2.331, 2.337, 2.343, 2.348, 2.354, 2.360, 2.366, 2.372,\n & 2.378, 2.383, 2.389, 2.395, 2.401, 2.407, 2.412, 2.418, 2.424,\n & 2.430, 2.435, 2.441, 2.447, 2.452, 2.458, 2.464, 2.469, 2.475,\n & 2.481, 2.486, 2.492, 2.497, 2.503, 2.509, 2.514, 2.520, 2.525,\n & 2.531, 2.536, 2.542, 2.547, 2.553, 2.558, 2.564, 2.569, 2.575,\n & 2.580, 2.586, 2.591, 2.597, 2.602, 2.607, 2.613, 2.618, 2.624,\n & 2.629, 2.634, 2.640, 2.645, 2.702, 2.754, 2.805, 2.855, 2.904,\n & 2.953, 3.001, 3.048, 3.094, 3.139, 3.184, 3.228, 3.272, 3.315,\n & 3.357, 3.399, 3.440, 3.480, 3.520, 3.559, 3.598, 3.636, 3.674,\n & 3.711, 3.748, 3.784, 3.820, 3.855, 3.890, 3.925, 3.959, 3.992,\n & 4.026, 4.058, 4.091, 4.123, 4.155, 4.186, 4.217, 4.247, 4.278,\n & 4.308, 4.337, 4.366, 4.395, 4.424, 4.452, 4.480, 4.508, 4.535,\n & 4.562, 4.589, 4.616, 4.642, 4.668, 4.694, 4.719, 4.745, 4.770,\n & 4.794, 4.819, 4.843, 4.867, 4.891, 4.915, 4.938, 4.961, 4.984,\n & 5.007, 5.029, 5.052, 5.074, 5.096, 5.117, 5.139, 5.160, 5.181,\n & 5.202, 5.223, 5.244, 5.264, 5.285, 5.305, 5.324, 5.344, 5.364,\n & 5.383, 5.402, 5.422, 5.441, 5.459, 5.478, 5.496, 5.515, 5.533,\n & 5.551, 5.569, 5.587, 5.604, 5.622, 5.639, 5.656, 5.673, 5.690,\n & 5.707, 5.724, 5.740, 5.757, 5.773, 5.789, 5.806, 5.821, 5.837,\n & 5.853, 5.869, 5.884, 5.900, 5.915, 5.930, 5.945, 5.960, 5.975,\n & 5.990, 6.004, 6.019, 6.033, 6.048, 6.062, 6.076, 6.090, 6.104,\n & 6.118, 6.132, 6.145, 6.159, 6.172, 6.186, 6.199, 6.212, 6.225,\n & 6.238, 6.251, 6.264, 6.277, 6.290, 6.302, 6.315, 6.327, 6.340,\n & 6.352, 6.364, 6.377, 6.389, 6.401, 6.413, 6.424, 6.436, 6.448,\n & 6.459, 6.471, 6.482\n & /\nC\nC *** NaHSO4\nC\n DATA BNC12M/\n &-0.048,-0.099,-0.122,-0.137,-0.148,-0.156,-0.163,-0.168,-0.172,\n &-0.175,-0.178,-0.180,-0.182,-0.183,-0.184,-0.184,-0.184,-0.184,\n &-0.184,-0.183,-0.182,-0.181,-0.180,-0.179,-0.177,-0.176,-0.174,\n &-0.172,-0.170,-0.167,-0.165,-0.163,-0.160,-0.157,-0.155,-0.152,\n &-0.149,-0.146,-0.143,-0.139,-0.136,-0.133,-0.129,-0.126,-0.122,\n &-0.118,-0.115,-0.111,-0.107,-0.103,-0.099,-0.095,-0.091,-0.087,\n &-0.083,-0.079,-0.075,-0.071,-0.066,-0.062,-0.058,-0.053,-0.049,\n &-0.044,-0.040,-0.035,-0.031,-0.026,-0.022,-0.017,-0.012,-0.007,\n &-0.003, 0.002, 0.007, 0.012, 0.017, 0.022, 0.027, 0.032, 0.037,\n & 0.042, 0.047, 0.052, 0.058, 0.063, 0.068, 0.073, 0.079, 0.084,\n & 0.090, 0.095, 0.101, 0.106, 0.112, 0.117, 0.123, 0.128, 0.134,\n & 0.140, 0.146, 0.151, 0.157, 0.163, 0.169, 0.175, 0.180, 0.186,\n & 0.192, 0.198, 0.204, 0.210, 0.216, 0.222, 0.228, 0.234, 0.240,\n & 0.246, 0.252, 0.258, 0.264, 0.270, 0.276, 0.282, 0.288, 0.294,\n & 0.300, 0.306, 0.312, 0.318, 0.323, 0.329, 0.335, 0.341, 0.347,\n & 0.353, 0.359, 0.365, 0.371, 0.377, 0.383, 0.389, 0.394, 0.400,\n & 0.406, 0.412, 0.418, 0.424, 0.429, 0.435, 0.441, 0.447, 0.453,\n & 0.458, 0.464, 0.470, 0.476, 0.481, 0.487, 0.493, 0.498, 0.504,\n & 0.510, 0.515, 0.521, 0.526, 0.532, 0.538, 0.543, 0.549, 0.554,\n & 0.560, 0.565, 0.571, 0.576, 0.582, 0.587, 0.593, 0.598, 0.604,\n & 0.609, 0.615, 0.620, 0.625, 0.631, 0.636, 0.641, 0.647, 0.652,\n & 0.657, 0.663, 0.668, 0.673, 0.679, 0.684, 0.689, 0.694, 0.700,\n & 0.705, 0.710, 0.715, 0.720, 0.726, 0.731, 0.736, 0.741, 0.746,\n & 0.751, 0.756, 0.761, 0.766, 0.772, 0.777, 0.782, 0.787, 0.792,\n & 0.797, 0.802, 0.807, 0.812, 0.817, 0.822, 0.826, 0.831, 0.836,\n & 0.841, 0.846, 0.851, 0.856, 0.861, 0.866, 0.870, 0.875, 0.880,\n & 0.885, 0.890, 0.894, 0.899, 0.904, 0.909, 0.914, 0.918, 0.923,\n & 0.928, 0.932, 0.937, 0.942, 0.946, 0.951, 0.956, 0.960, 0.965,\n & 0.970, 0.974, 0.979, 0.984, 0.988, 0.993, 0.997, 1.002, 1.006,\n & 1.011, 1.015, 1.020, 1.024, 1.029, 1.033, 1.038, 1.042, 1.047,\n & 1.051, 1.056, 1.060, 1.065, 1.069, 1.073, 1.078, 1.082, 1.087,\n & 1.091, 1.095, 1.100, 1.104, 1.108, 1.113, 1.117, 1.121, 1.126,\n & 1.130, 1.134, 1.138, 1.143, 1.147, 1.151, 1.155, 1.160, 1.164,\n & 1.168, 1.172, 1.177, 1.181, 1.185, 1.189, 1.193, 1.197, 1.202,\n & 1.206, 1.210, 1.214, 1.218, 1.222, 1.226, 1.230, 1.234, 1.238,\n & 1.243, 1.247, 1.251, 1.255, 1.259, 1.263, 1.267, 1.271, 1.275,\n & 1.279, 1.283, 1.287, 1.291, 1.295, 1.299, 1.303, 1.306, 1.310,\n & 1.314, 1.318, 1.322, 1.326, 1.330, 1.334, 1.338, 1.342, 1.345,\n & 1.349, 1.353, 1.357, 1.361, 1.365, 1.368, 1.372, 1.376, 1.380,\n & 1.384, 1.387, 1.391, 1.395, 1.399, 1.403, 1.406, 1.410, 1.414,\n & 1.418, 1.421, 1.425, 1.429, 1.432, 1.436, 1.440, 1.443, 1.447,\n & 1.451, 1.454, 1.458, 1.462, 1.465, 1.469, 1.473, 1.476, 1.480,\n & 1.484, 1.487, 1.491, 1.494, 1.498, 1.501, 1.505, 1.509, 1.512,\n & 1.516, 1.519, 1.523, 1.526, 1.530, 1.533, 1.537, 1.540, 1.544,\n & 1.547, 1.551, 1.554, 1.558, 1.595, 1.629, 1.662, 1.695, 1.727,\n & 1.759, 1.790, 1.820, 1.850, 1.880, 1.909, 1.938, 1.966, 1.994,\n & 2.022, 2.049, 2.076, 2.102, 2.128, 2.153, 2.179, 2.203, 2.228,\n & 2.252, 2.276, 2.300, 2.323, 2.346, 2.368, 2.391, 2.413, 2.435,\n & 2.456, 2.477, 2.498, 2.519, 2.539, 2.560, 2.580, 2.599, 2.619,\n & 2.638, 2.657, 2.676, 2.695, 2.713, 2.731, 2.749, 2.767, 2.785,\n & 2.802, 2.819, 2.836, 2.853, 2.870, 2.886, 2.902, 2.918, 2.934,\n & 2.950, 2.966, 2.981, 2.997, 3.012, 3.027, 3.042, 3.056, 3.071,\n & 3.085, 3.099, 3.114, 3.128, 3.141, 3.155, 3.169, 3.182, 3.195,\n & 3.209, 3.222, 3.235, 3.247, 3.260, 3.273, 3.285, 3.298, 3.310,\n & 3.322, 3.334, 3.346, 3.358, 3.369, 3.381, 3.392, 3.404, 3.415,\n & 3.426, 3.437, 3.448, 3.459, 3.470, 3.481, 3.491, 3.502, 3.512,\n & 3.523, 3.533, 3.543, 3.553, 3.563, 3.573, 3.583, 3.593, 3.603,\n & 3.612, 3.622, 3.631, 3.640, 3.650, 3.659, 3.668, 3.677, 3.686,\n & 3.695, 3.704, 3.713, 3.721, 3.730, 3.739, 3.747, 3.756, 3.764,\n & 3.772, 3.781, 3.789, 3.797, 3.805, 3.813, 3.821, 3.829, 3.836,\n & 3.844, 3.852, 3.860, 3.867, 3.875, 3.882, 3.889, 3.897, 3.904,\n & 3.911, 3.919, 3.926, 3.933, 3.940, 3.947, 3.954, 3.961, 3.967,\n & 3.974, 3.981, 3.988\n & /\nC\nC *** (NH4)3H(SO4)2\nC\n DATA BNC13M/\n &-0.080,-0.174,-0.221,-0.254,-0.280,-0.302,-0.321,-0.337,-0.352,\n &-0.365,-0.377,-0.388,-0.398,-0.408,-0.417,-0.425,-0.433,-0.440,\n &-0.447,-0.454,-0.461,-0.467,-0.472,-0.478,-0.483,-0.488,-0.493,\n &-0.498,-0.503,-0.507,-0.511,-0.515,-0.519,-0.523,-0.527,-0.530,\n &-0.533,-0.537,-0.540,-0.543,-0.546,-0.549,-0.551,-0.554,-0.557,\n &-0.559,-0.562,-0.564,-0.566,-0.569,-0.571,-0.573,-0.575,-0.577,\n &-0.579,-0.580,-0.582,-0.584,-0.586,-0.587,-0.589,-0.590,-0.592,\n &-0.593,-0.595,-0.596,-0.597,-0.599,-0.600,-0.601,-0.602,-0.603,\n &-0.604,-0.605,-0.607,-0.608,-0.609,-0.609,-0.610,-0.611,-0.612,\n &-0.613,-0.614,-0.614,-0.615,-0.616,-0.617,-0.617,-0.618,-0.619,\n &-0.619,-0.620,-0.620,-0.621,-0.621,-0.622,-0.622,-0.623,-0.623,\n &-0.624,-0.624,-0.624,-0.625,-0.625,-0.626,-0.626,-0.626,-0.626,\n &-0.627,-0.627,-0.627,-0.628,-0.628,-0.628,-0.628,-0.628,-0.629,\n &-0.629,-0.629,-0.629,-0.629,-0.629,-0.630,-0.630,-0.630,-0.630,\n &-0.630,-0.630,-0.630,-0.630,-0.630,-0.631,-0.631,-0.631,-0.631,\n &-0.631,-0.631,-0.631,-0.631,-0.631,-0.631,-0.631,-0.631,-0.631,\n &-0.631,-0.631,-0.631,-0.631,-0.631,-0.631,-0.631,-0.632,-0.632,\n &-0.632,-0.632,-0.632,-0.632,-0.632,-0.632,-0.632,-0.632,-0.632,\n &-0.632,-0.632,-0.632,-0.632,-0.632,-0.632,-0.632,-0.632,-0.632,\n &-0.632,-0.632,-0.632,-0.632,-0.632,-0.632,-0.632,-0.632,-0.632,\n &-0.632,-0.632,-0.632,-0.632,-0.632,-0.632,-0.632,-0.632,-0.632,\n &-0.632,-0.632,-0.632,-0.632,-0.632,-0.632,-0.632,-0.632,-0.632,\n &-0.632,-0.632,-0.632,-0.632,-0.632,-0.632,-0.632,-0.632,-0.632,\n &-0.632,-0.632,-0.632,-0.632,-0.632,-0.632,-0.632,-0.632,-0.632,\n &-0.632,-0.632,-0.632,-0.632,-0.632,-0.632,-0.632,-0.632,-0.632,\n &-0.632,-0.632,-0.632,-0.632,-0.632,-0.632,-0.632,-0.632,-0.632,\n &-0.632,-0.632,-0.632,-0.632,-0.632,-0.632,-0.632,-0.632,-0.632,\n &-0.632,-0.632,-0.632,-0.632,-0.632,-0.632,-0.632,-0.633,-0.633,\n &-0.633,-0.633,-0.633,-0.633,-0.633,-0.633,-0.633,-0.633,-0.633,\n &-0.633,-0.633,-0.633,-0.633,-0.633,-0.633,-0.633,-0.633,-0.633,\n &-0.633,-0.633,-0.633,-0.633,-0.634,-0.634,-0.634,-0.634,-0.634,\n &-0.634,-0.634,-0.634,-0.634,-0.634,-0.634,-0.634,-0.634,-0.634,\n &-0.634,-0.634,-0.634,-0.634,-0.635,-0.635,-0.635,-0.635,-0.635,\n &-0.635,-0.635,-0.635,-0.635,-0.635,-0.635,-0.635,-0.635,-0.635,\n &-0.636,-0.636,-0.636,-0.636,-0.636,-0.636,-0.636,-0.636,-0.636,\n &-0.636,-0.636,-0.636,-0.637,-0.637,-0.637,-0.637,-0.637,-0.637,\n &-0.637,-0.637,-0.637,-0.637,-0.637,-0.638,-0.638,-0.638,-0.638,\n &-0.638,-0.638,-0.638,-0.638,-0.638,-0.638,-0.639,-0.639,-0.639,\n &-0.639,-0.639,-0.639,-0.639,-0.639,-0.639,-0.639,-0.640,-0.640,\n &-0.640,-0.640,-0.640,-0.640,-0.640,-0.640,-0.640,-0.641,-0.641,\n &-0.641,-0.641,-0.641,-0.641,-0.641,-0.641,-0.642,-0.642,-0.642,\n &-0.642,-0.642,-0.642,-0.642,-0.642,-0.643,-0.643,-0.643,-0.643,\n &-0.643,-0.643,-0.643,-0.643,-0.644,-0.644,-0.644,-0.644,-0.644,\n &-0.644,-0.644,-0.645,-0.645,-0.645,-0.645,-0.645,-0.645,-0.645,\n &-0.646,-0.646,-0.646,-0.646,-0.648,-0.649,-0.651,-0.652,-0.654,\n &-0.656,-0.658,-0.660,-0.662,-0.664,-0.666,-0.668,-0.670,-0.673,\n &-0.675,-0.677,-0.680,-0.682,-0.685,-0.687,-0.690,-0.693,-0.695,\n &-0.698,-0.701,-0.704,-0.707,-0.709,-0.712,-0.715,-0.718,-0.722,\n &-0.725,-0.728,-0.731,-0.734,-0.737,-0.741,-0.744,-0.747,-0.751,\n &-0.754,-0.758,-0.761,-0.764,-0.768,-0.772,-0.775,-0.779,-0.782,\n &-0.786,-0.790,-0.793,-0.797,-0.801,-0.805,-0.809,-0.812,-0.816,\n &-0.820,-0.824,-0.828,-0.832,-0.836,-0.840,-0.844,-0.848,-0.852,\n &-0.856,-0.860,-0.864,-0.868,-0.873,-0.877,-0.881,-0.885,-0.889,\n &-0.894,-0.898,-0.902,-0.906,-0.911,-0.915,-0.919,-0.924,-0.928,\n &-0.932,-0.937,-0.941,-0.946,-0.950,-0.955,-0.959,-0.964,-0.968,\n &-0.973,-0.977,-0.982,-0.986,-0.991,-0.995,-1.000,-1.005,-1.009,\n &-1.014,-1.019,-1.023,-1.028,-1.033,-1.037,-1.042,-1.047,-1.051,\n &-1.056,-1.061,-1.066,-1.071,-1.075,-1.080,-1.085,-1.090,-1.095,\n &-1.099,-1.104,-1.109,-1.114,-1.119,-1.124,-1.129,-1.134,-1.138,\n &-1.143,-1.148,-1.153,-1.158,-1.163,-1.168,-1.173,-1.178,-1.183,\n &-1.188,-1.193,-1.198,-1.203,-1.208,-1.213,-1.218,-1.223,-1.228,\n &-1.233,-1.238,-1.244,-1.249,-1.254,-1.259,-1.264,-1.269,-1.274,\n &-1.279,-1.284,-1.290\n & /\nC\nC *** CASO4\nC\n DATA BNC14M/\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000\n & /\nC\nC *** CANO32\nC\n DATA BNC15M/\n &-0.099,-0.211,-0.264,-0.301,-0.329,-0.351,-0.370,-0.386,-0.399,\n &-0.411,-0.422,-0.432,-0.440,-0.448,-0.455,-0.462,-0.468,-0.473,\n &-0.478,-0.483,-0.487,-0.491,-0.495,-0.499,-0.502,-0.505,-0.508,\n &-0.511,-0.513,-0.516,-0.518,-0.520,-0.522,-0.524,-0.526,-0.528,\n &-0.529,-0.531,-0.532,-0.534,-0.535,-0.536,-0.537,-0.539,-0.540,\n &-0.541,-0.542,-0.543,-0.544,-0.545,-0.545,-0.546,-0.547,-0.548,\n &-0.549,-0.549,-0.550,-0.551,-0.551,-0.552,-0.552,-0.553,-0.553,\n &-0.554,-0.554,-0.555,-0.555,-0.556,-0.556,-0.556,-0.557,-0.557,\n &-0.557,-0.558,-0.558,-0.558,-0.558,-0.559,-0.559,-0.559,-0.559,\n &-0.559,-0.559,-0.559,-0.559,-0.559,-0.559,-0.559,-0.559,-0.559,\n &-0.559,-0.559,-0.559,-0.559,-0.558,-0.558,-0.558,-0.558,-0.557,\n &-0.557,-0.557,-0.556,-0.556,-0.556,-0.555,-0.555,-0.555,-0.554,\n &-0.554,-0.553,-0.553,-0.552,-0.552,-0.551,-0.551,-0.550,-0.550,\n &-0.549,-0.549,-0.548,-0.548,-0.547,-0.547,-0.546,-0.545,-0.545,\n &-0.544,-0.544,-0.543,-0.542,-0.542,-0.541,-0.541,-0.540,-0.539,\n &-0.539,-0.538,-0.538,-0.537,-0.536,-0.536,-0.535,-0.534,-0.534,\n &-0.533,-0.533,-0.532,-0.531,-0.531,-0.530,-0.529,-0.529,-0.528,\n &-0.527,-0.527,-0.526,-0.525,-0.525,-0.524,-0.524,-0.523,-0.522,\n &-0.522,-0.521,-0.520,-0.520,-0.519,-0.518,-0.518,-0.517,-0.516,\n &-0.516,-0.515,-0.514,-0.514,-0.513,-0.513,-0.512,-0.511,-0.511,\n &-0.510,-0.509,-0.509,-0.508,-0.507,-0.507,-0.506,-0.505,-0.505,\n &-0.504,-0.504,-0.503,-0.502,-0.502,-0.501,-0.500,-0.500,-0.499,\n &-0.499,-0.498,-0.497,-0.497,-0.496,-0.495,-0.495,-0.494,-0.494,\n &-0.493,-0.492,-0.492,-0.491,-0.490,-0.490,-0.489,-0.489,-0.488,\n &-0.487,-0.487,-0.486,-0.486,-0.485,-0.484,-0.484,-0.483,-0.483,\n &-0.482,-0.481,-0.481,-0.480,-0.480,-0.479,-0.478,-0.478,-0.477,\n &-0.477,-0.476,-0.475,-0.475,-0.474,-0.474,-0.473,-0.473,-0.472,\n &-0.471,-0.471,-0.470,-0.470,-0.469,-0.469,-0.468,-0.468,-0.467,\n &-0.466,-0.466,-0.465,-0.465,-0.464,-0.464,-0.463,-0.463,-0.462,\n &-0.461,-0.461,-0.460,-0.460,-0.459,-0.459,-0.458,-0.458,-0.457,\n &-0.457,-0.456,-0.456,-0.455,-0.455,-0.454,-0.453,-0.453,-0.452,\n &-0.452,-0.451,-0.451,-0.450,-0.450,-0.449,-0.449,-0.448,-0.448,\n &-0.447,-0.447,-0.446,-0.446,-0.445,-0.445,-0.444,-0.444,-0.443,\n &-0.443,-0.442,-0.442,-0.441,-0.441,-0.440,-0.440,-0.440,-0.439,\n &-0.439,-0.438,-0.438,-0.437,-0.437,-0.436,-0.436,-0.435,-0.435,\n &-0.434,-0.434,-0.433,-0.433,-0.433,-0.432,-0.432,-0.431,-0.431,\n &-0.430,-0.430,-0.429,-0.429,-0.429,-0.428,-0.428,-0.427,-0.427,\n &-0.426,-0.426,-0.426,-0.425,-0.425,-0.424,-0.424,-0.423,-0.423,\n &-0.423,-0.422,-0.422,-0.421,-0.421,-0.421,-0.420,-0.420,-0.419,\n &-0.419,-0.419,-0.418,-0.418,-0.417,-0.417,-0.417,-0.416,-0.416,\n &-0.415,-0.415,-0.415,-0.414,-0.414,-0.413,-0.413,-0.413,-0.412,\n &-0.412,-0.412,-0.411,-0.411,-0.410,-0.410,-0.410,-0.409,-0.409,\n &-0.409,-0.408,-0.408,-0.408,-0.407,-0.407,-0.407,-0.406,-0.406,\n &-0.405,-0.405,-0.405,-0.404,-0.404,-0.404,-0.403,-0.403,-0.403,\n &-0.402,-0.402,-0.402,-0.401,-0.398,-0.395,-0.392,-0.389,-0.386,\n &-0.384,-0.381,-0.379,-0.377,-0.375,-0.373,-0.371,-0.369,-0.368,\n &-0.366,-0.365,-0.364,-0.363,-0.362,-0.361,-0.360,-0.359,-0.358,\n &-0.358,-0.357,-0.357,-0.357,-0.356,-0.356,-0.356,-0.356,-0.356,\n &-0.356,-0.357,-0.357,-0.357,-0.358,-0.358,-0.359,-0.360,-0.361,\n &-0.361,-0.362,-0.363,-0.364,-0.365,-0.367,-0.368,-0.369,-0.370,\n &-0.372,-0.373,-0.375,-0.376,-0.378,-0.380,-0.381,-0.383,-0.385,\n &-0.387,-0.389,-0.391,-0.393,-0.395,-0.397,-0.399,-0.401,-0.404,\n &-0.406,-0.408,-0.411,-0.413,-0.416,-0.418,-0.421,-0.423,-0.426,\n &-0.429,-0.431,-0.434,-0.437,-0.440,-0.442,-0.445,-0.448,-0.451,\n &-0.454,-0.457,-0.460,-0.463,-0.467,-0.470,-0.473,-0.476,-0.480,\n &-0.483,-0.486,-0.490,-0.493,-0.496,-0.500,-0.503,-0.507,-0.510,\n &-0.514,-0.517,-0.521,-0.525,-0.528,-0.532,-0.536,-0.540,-0.543,\n &-0.547,-0.551,-0.555,-0.559,-0.563,-0.566,-0.570,-0.574,-0.578,\n &-0.582,-0.586,-0.590,-0.595,-0.599,-0.603,-0.607,-0.611,-0.615,\n &-0.619,-0.624,-0.628,-0.632,-0.637,-0.641,-0.645,-0.650,-0.654,\n &-0.658,-0.663,-0.667,-0.672,-0.676,-0.680,-0.685,-0.689,-0.694,\n &-0.699,-0.703,-0.708,-0.712,-0.717,-0.722,-0.726,-0.731,-0.736,\n &-0.740,-0.745,-0.750\n & /\nC\nC *** CACL2\nC\n DATA BNC16M/\n &-0.097,-0.201,-0.247,-0.277,-0.298,-0.314,-0.327,-0.337,-0.345,\n &-0.351,-0.356,-0.359,-0.362,-0.365,-0.366,-0.367,-0.367,-0.367,\n &-0.367,-0.366,-0.365,-0.364,-0.362,-0.361,-0.359,-0.356,-0.354,\n &-0.352,-0.349,-0.346,-0.343,-0.340,-0.337,-0.334,-0.331,-0.328,\n &-0.324,-0.321,-0.317,-0.314,-0.310,-0.307,-0.303,-0.300,-0.296,\n &-0.292,-0.289,-0.285,-0.281,-0.277,-0.274,-0.270,-0.266,-0.262,\n &-0.259,-0.255,-0.251,-0.247,-0.244,-0.240,-0.236,-0.232,-0.228,\n &-0.224,-0.221,-0.217,-0.213,-0.209,-0.205,-0.201,-0.197,-0.193,\n &-0.189,-0.185,-0.181,-0.177,-0.173,-0.169,-0.165,-0.161,-0.157,\n &-0.152,-0.148,-0.144,-0.139,-0.135,-0.131,-0.126,-0.122,-0.117,\n &-0.113,-0.108,-0.104,-0.099,-0.095,-0.090,-0.085,-0.080,-0.076,\n &-0.071,-0.066,-0.061,-0.056,-0.051,-0.047,-0.042,-0.037,-0.032,\n &-0.027,-0.022,-0.017,-0.012,-0.006,-0.001, 0.004, 0.009, 0.014,\n & 0.019, 0.024, 0.029, 0.034, 0.040, 0.045, 0.050, 0.055, 0.060,\n & 0.065, 0.071, 0.076, 0.081, 0.086, 0.091, 0.096, 0.102, 0.107,\n & 0.112, 0.117, 0.122, 0.127, 0.133, 0.138, 0.143, 0.148, 0.153,\n & 0.158, 0.163, 0.168, 0.174, 0.179, 0.184, 0.189, 0.194, 0.199,\n & 0.204, 0.209, 0.214, 0.219, 0.224, 0.229, 0.234, 0.239, 0.244,\n & 0.249, 0.254, 0.259, 0.264, 0.269, 0.274, 0.279, 0.284, 0.289,\n & 0.294, 0.299, 0.304, 0.309, 0.314, 0.319, 0.324, 0.329, 0.334,\n & 0.338, 0.343, 0.348, 0.353, 0.358, 0.363, 0.368, 0.372, 0.377,\n & 0.382, 0.387, 0.392, 0.396, 0.401, 0.406, 0.411, 0.415, 0.420,\n & 0.425, 0.430, 0.434, 0.439, 0.444, 0.449, 0.453, 0.458, 0.463,\n & 0.467, 0.472, 0.477, 0.481, 0.486, 0.491, 0.495, 0.500, 0.504,\n & 0.509, 0.514, 0.518, 0.523, 0.527, 0.532, 0.536, 0.541, 0.545,\n & 0.550, 0.555, 0.559, 0.564, 0.568, 0.573, 0.577, 0.581, 0.586,\n & 0.590, 0.595, 0.599, 0.604, 0.608, 0.613, 0.617, 0.621, 0.626,\n & 0.630, 0.635, 0.639, 0.643, 0.648, 0.652, 0.656, 0.661, 0.665,\n & 0.669, 0.674, 0.678, 0.682, 0.686, 0.691, 0.695, 0.699, 0.703,\n & 0.708, 0.712, 0.716, 0.720, 0.725, 0.729, 0.733, 0.737, 0.741,\n & 0.746, 0.750, 0.754, 0.758, 0.762, 0.766, 0.770, 0.775, 0.779,\n & 0.783, 0.787, 0.791, 0.795, 0.799, 0.803, 0.807, 0.811, 0.815,\n & 0.819, 0.823, 0.827, 0.831, 0.835, 0.839, 0.843, 0.847, 0.851,\n & 0.855, 0.859, 0.863, 0.867, 0.871, 0.875, 0.879, 0.883, 0.887,\n & 0.891, 0.895, 0.899, 0.902, 0.906, 0.910, 0.914, 0.918, 0.922,\n & 0.926, 0.929, 0.933, 0.937, 0.941, 0.945, 0.949, 0.952, 0.956,\n & 0.960, 0.964, 0.967, 0.971, 0.975, 0.979, 0.982, 0.986, 0.990,\n & 0.994, 0.997, 1.001, 1.005, 1.008, 1.012, 1.016, 1.019, 1.023,\n & 1.027, 1.030, 1.034, 1.038, 1.041, 1.045, 1.049, 1.052, 1.056,\n & 1.059, 1.063, 1.067, 1.070, 1.074, 1.077, 1.081, 1.084, 1.088,\n & 1.091, 1.095, 1.098, 1.102, 1.106, 1.109, 1.113, 1.116, 1.119,\n & 1.123, 1.126, 1.130, 1.133, 1.137, 1.140, 1.144, 1.147, 1.151,\n & 1.154, 1.157, 1.161, 1.164, 1.168, 1.171, 1.174, 1.178, 1.181,\n & 1.185, 1.188, 1.191, 1.195, 1.198, 1.201, 1.205, 1.208, 1.211,\n & 1.215, 1.218, 1.221, 1.225, 1.260, 1.292, 1.323, 1.354, 1.385,\n & 1.415, 1.444, 1.473, 1.501, 1.529, 1.557, 1.584, 1.610, 1.636,\n & 1.662, 1.687, 1.712, 1.737, 1.761, 1.784, 1.808, 1.831, 1.853,\n & 1.876, 1.898, 1.919, 1.940, 1.961, 1.982, 2.002, 2.022, 2.042,\n & 2.062, 2.081, 2.100, 2.118, 2.137, 2.155, 2.172, 2.190, 2.207,\n & 2.224, 2.241, 2.258, 2.274, 2.290, 2.306, 2.322, 2.337, 2.353,\n & 2.368, 2.382, 2.397, 2.412, 2.426, 2.440, 2.454, 2.467, 2.481,\n & 2.494, 2.507, 2.520, 2.533, 2.546, 2.558, 2.571, 2.583, 2.595,\n & 2.606, 2.618, 2.630, 2.641, 2.652, 2.663, 2.674, 2.685, 2.696,\n & 2.706, 2.717, 2.727, 2.737, 2.747, 2.757, 2.767, 2.776, 2.786,\n & 2.795, 2.804, 2.813, 2.822, 2.831, 2.840, 2.849, 2.857, 2.866,\n & 2.874, 2.882, 2.891, 2.899, 2.907, 2.914, 2.922, 2.930, 2.937,\n & 2.945, 2.952, 2.959, 2.966, 2.973, 2.980, 2.987, 2.994, 3.001,\n & 3.007, 3.014, 3.020, 3.027, 3.033, 3.039, 3.045, 3.051, 3.057,\n & 3.063, 3.069, 3.075, 3.081, 3.086, 3.092, 3.097, 3.102, 3.108,\n & 3.113, 3.118, 3.123, 3.128, 3.133, 3.138, 3.143, 3.147, 3.152,\n & 3.157, 3.161, 3.166, 3.170, 3.175, 3.179, 3.183, 3.187, 3.191,\n & 3.195, 3.199, 3.203, 3.207, 3.211, 3.215, 3.219, 3.222, 3.226,\n & 3.229, 3.233, 3.236\n & /\nC\nC *** K2SO4\nC\n DATA BNC17M/\n &-0.101,-0.220,-0.281,-0.324,-0.358,-0.387,-0.412,-0.434,-0.453,\n &-0.471,-0.487,-0.503,-0.517,-0.530,-0.543,-0.555,-0.566,-0.577,\n &-0.587,-0.597,-0.606,-0.615,-0.624,-0.632,-0.641,-0.649,-0.656,\n &-0.664,-0.671,-0.678,-0.685,-0.692,-0.698,-0.705,-0.711,-0.717,\n &-0.723,-0.729,-0.735,-0.740,-0.746,-0.752,-0.757,-0.762,-0.767,\n &-0.772,-0.777,-0.782,-0.787,-0.792,-0.797,-0.801,-0.806,-0.810,\n &-0.815,-0.819,-0.824,-0.828,-0.832,-0.836,-0.840,-0.844,-0.848,\n &-0.852,-0.856,-0.860,-0.864,-0.868,-0.872,-0.876,-0.879,-0.883,\n &-0.887,-0.890,-0.894,-0.897,-0.901,-0.904,-0.908,-0.911,-0.915,\n &-0.918,-0.922,-0.925,-0.928,-0.932,-0.935,-0.938,-0.942,-0.945,\n &-0.948,-0.951,-0.954,-0.958,-0.961,-0.964,-0.967,-0.970,-0.973,\n &-0.976,-0.979,-0.982,-0.985,-0.988,-0.991,-0.994,-0.997,-1.000,\n &-1.003,-1.006,-1.009,-1.012,-1.015,-1.018,-1.021,-1.024,-1.026,\n &-1.029,-1.032,-1.035,-1.038,-1.040,-1.043,-1.046,-1.049,-1.051,\n &-1.054,-1.057,-1.060,-1.062,-1.065,-1.068,-1.070,-1.073,-1.076,\n &-1.078,-1.081,-1.083,-1.086,-1.089,-1.091,-1.094,-1.096,-1.099,\n &-1.102,-1.104,-1.107,-1.109,-1.112,-1.114,-1.117,-1.119,-1.122,\n &-1.124,-1.127,-1.129,-1.131,-1.134,-1.136,-1.139,-1.141,-1.144,\n &-1.146,-1.148,-1.151,-1.153,-1.155,-1.158,-1.160,-1.163,-1.165,\n &-1.167,-1.170,-1.172,-1.174,-1.177,-1.179,-1.181,-1.183,-1.186,\n &-1.188,-1.190,-1.193,-1.195,-1.197,-1.199,-1.202,-1.204,-1.206,\n &-1.208,-1.210,-1.213,-1.215,-1.217,-1.219,-1.221,-1.224,-1.226,\n &-1.228,-1.230,-1.232,-1.235,-1.237,-1.239,-1.241,-1.243,-1.245,\n &-1.247,-1.250,-1.252,-1.254,-1.256,-1.258,-1.260,-1.262,-1.264,\n &-1.266,-1.269,-1.271,-1.273,-1.275,-1.277,-1.279,-1.281,-1.283,\n &-1.285,-1.287,-1.289,-1.291,-1.293,-1.295,-1.297,-1.299,-1.301,\n &-1.303,-1.305,-1.307,-1.309,-1.311,-1.313,-1.315,-1.317,-1.319,\n &-1.321,-1.323,-1.325,-1.327,-1.329,-1.331,-1.333,-1.335,-1.337,\n &-1.339,-1.341,-1.343,-1.345,-1.347,-1.349,-1.351,-1.353,-1.355,\n &-1.357,-1.358,-1.360,-1.362,-1.364,-1.366,-1.368,-1.370,-1.372,\n &-1.374,-1.376,-1.377,-1.379,-1.381,-1.383,-1.385,-1.387,-1.389,\n &-1.391,-1.392,-1.394,-1.396,-1.398,-1.400,-1.402,-1.404,-1.405,\n &-1.407,-1.409,-1.411,-1.413,-1.415,-1.417,-1.418,-1.420,-1.422,\n &-1.424,-1.426,-1.427,-1.429,-1.431,-1.433,-1.435,-1.437,-1.438,\n &-1.440,-1.442,-1.444,-1.445,-1.447,-1.449,-1.451,-1.453,-1.454,\n &-1.456,-1.458,-1.460,-1.462,-1.463,-1.465,-1.467,-1.469,-1.470,\n &-1.472,-1.474,-1.476,-1.477,-1.479,-1.481,-1.483,-1.484,-1.486,\n &-1.488,-1.490,-1.491,-1.493,-1.495,-1.496,-1.498,-1.500,-1.502,\n &-1.503,-1.505,-1.507,-1.509,-1.510,-1.512,-1.514,-1.515,-1.517,\n &-1.519,-1.520,-1.522,-1.524,-1.526,-1.527,-1.529,-1.531,-1.532,\n &-1.534,-1.536,-1.537,-1.539,-1.541,-1.542,-1.544,-1.546,-1.547,\n &-1.549,-1.551,-1.552,-1.554,-1.556,-1.557,-1.559,-1.561,-1.562,\n &-1.564,-1.566,-1.567,-1.569,-1.571,-1.572,-1.574,-1.576,-1.577,\n &-1.579,-1.580,-1.582,-1.584,-1.585,-1.587,-1.589,-1.590,-1.592,\n &-1.594,-1.595,-1.597,-1.598,-1.616,-1.632,-1.648,-1.663,-1.679,\n &-1.694,-1.710,-1.725,-1.740,-1.755,-1.770,-1.785,-1.799,-1.814,\n &-1.828,-1.843,-1.857,-1.871,-1.885,-1.900,-1.914,-1.928,-1.941,\n &-1.955,-1.969,-1.983,-1.996,-2.010,-2.023,-2.037,-2.050,-2.063,\n &-2.077,-2.090,-2.103,-2.116,-2.129,-2.142,-2.155,-2.168,-2.181,\n &-2.194,-2.206,-2.219,-2.232,-2.244,-2.257,-2.269,-2.282,-2.294,\n &-2.307,-2.319,-2.332,-2.344,-2.356,-2.369,-2.381,-2.393,-2.405,\n &-2.417,-2.429,-2.441,-2.454,-2.466,-2.478,-2.489,-2.501,-2.513,\n &-2.525,-2.537,-2.549,-2.561,-2.572,-2.584,-2.596,-2.608,-2.619,\n &-2.631,-2.642,-2.654,-2.666,-2.677,-2.689,-2.700,-2.712,-2.723,\n &-2.735,-2.746,-2.757,-2.769,-2.780,-2.792,-2.803,-2.814,-2.825,\n &-2.837,-2.848,-2.859,-2.870,-2.882,-2.893,-2.904,-2.915,-2.926,\n &-2.937,-2.948,-2.959,-2.971,-2.982,-2.993,-3.004,-3.015,-3.026,\n &-3.037,-3.048,-3.058,-3.069,-3.080,-3.091,-3.102,-3.113,-3.124,\n &-3.135,-3.145,-3.156,-3.167,-3.178,-3.189,-3.199,-3.210,-3.221,\n &-3.232,-3.242,-3.253,-3.264,-3.274,-3.285,-3.296,-3.306,-3.317,\n &-3.327,-3.338,-3.349,-3.359,-3.370,-3.380,-3.391,-3.401,-3.412,\n &-3.422,-3.433,-3.443,-3.454,-3.464,-3.475,-3.485,-3.496,-3.506,\n &-3.517,-3.527,-3.537\n & /\nC\nC *** KHSO4\nC\n DATA BNC18M/\n &-0.049,-0.104,-0.130,-0.148,-0.162,-0.173,-0.182,-0.190,-0.197,\n &-0.203,-0.208,-0.213,-0.217,-0.221,-0.224,-0.227,-0.230,-0.232,\n &-0.234,-0.236,-0.238,-0.239,-0.240,-0.241,-0.242,-0.243,-0.243,\n &-0.244,-0.244,-0.244,-0.244,-0.244,-0.243,-0.243,-0.242,-0.242,\n &-0.241,-0.240,-0.239,-0.238,-0.237,-0.236,-0.235,-0.233,-0.232,\n &-0.230,-0.229,-0.227,-0.225,-0.223,-0.222,-0.220,-0.218,-0.216,\n &-0.214,-0.211,-0.209,-0.207,-0.205,-0.202,-0.200,-0.197,-0.195,\n &-0.192,-0.190,-0.187,-0.185,-0.182,-0.179,-0.176,-0.174,-0.171,\n &-0.168,-0.165,-0.162,-0.159,-0.156,-0.153,-0.150,-0.147,-0.143,\n &-0.140,-0.137,-0.134,-0.131,-0.127,-0.124,-0.120,-0.117,-0.114,\n &-0.110,-0.107,-0.103,-0.100,-0.096,-0.092,-0.089,-0.085,-0.081,\n &-0.078,-0.074,-0.070,-0.066,-0.063,-0.059,-0.055,-0.051,-0.047,\n &-0.043,-0.040,-0.036,-0.032,-0.028,-0.024,-0.020,-0.016,-0.012,\n &-0.008,-0.004, 0.000, 0.004, 0.008, 0.012, 0.015, 0.019, 0.023,\n & 0.027, 0.031, 0.035, 0.039, 0.043, 0.047, 0.051, 0.055, 0.059,\n & 0.063, 0.067, 0.071, 0.075, 0.078, 0.082, 0.086, 0.090, 0.094,\n & 0.098, 0.102, 0.106, 0.109, 0.113, 0.117, 0.121, 0.125, 0.128,\n & 0.132, 0.136, 0.140, 0.144, 0.147, 0.151, 0.155, 0.159, 0.162,\n & 0.166, 0.170, 0.173, 0.177, 0.181, 0.184, 0.188, 0.192, 0.195,\n & 0.199, 0.203, 0.206, 0.210, 0.213, 0.217, 0.221, 0.224, 0.228,\n & 0.231, 0.235, 0.238, 0.242, 0.245, 0.249, 0.252, 0.256, 0.259,\n & 0.263, 0.266, 0.270, 0.273, 0.277, 0.280, 0.284, 0.287, 0.290,\n & 0.294, 0.297, 0.301, 0.304, 0.307, 0.311, 0.314, 0.317, 0.321,\n & 0.324, 0.327, 0.331, 0.334, 0.337, 0.340, 0.344, 0.347, 0.350,\n & 0.353, 0.357, 0.360, 0.363, 0.366, 0.369, 0.373, 0.376, 0.379,\n & 0.382, 0.385, 0.389, 0.392, 0.395, 0.398, 0.401, 0.404, 0.407,\n & 0.410, 0.413, 0.417, 0.420, 0.423, 0.426, 0.429, 0.432, 0.435,\n & 0.438, 0.441, 0.444, 0.447, 0.450, 0.453, 0.456, 0.459, 0.462,\n & 0.465, 0.468, 0.471, 0.474, 0.477, 0.480, 0.482, 0.485, 0.488,\n & 0.491, 0.494, 0.497, 0.500, 0.503, 0.506, 0.508, 0.511, 0.514,\n & 0.517, 0.520, 0.523, 0.525, 0.528, 0.531, 0.534, 0.537, 0.539,\n & 0.542, 0.545, 0.548, 0.551, 0.553, 0.556, 0.559, 0.562, 0.564,\n & 0.567, 0.570, 0.572, 0.575, 0.578, 0.581, 0.583, 0.586, 0.589,\n & 0.591, 0.594, 0.597, 0.599, 0.602, 0.604, 0.607, 0.610, 0.612,\n & 0.615, 0.618, 0.620, 0.623, 0.625, 0.628, 0.631, 0.633, 0.636,\n & 0.638, 0.641, 0.643, 0.646, 0.648, 0.651, 0.654, 0.656, 0.659,\n & 0.661, 0.664, 0.666, 0.669, 0.671, 0.674, 0.676, 0.679, 0.681,\n & 0.684, 0.686, 0.688, 0.691, 0.693, 0.696, 0.698, 0.701, 0.703,\n & 0.706, 0.708, 0.710, 0.713, 0.715, 0.718, 0.720, 0.722, 0.725,\n & 0.727, 0.729, 0.732, 0.734, 0.737, 0.739, 0.741, 0.744, 0.746,\n & 0.748, 0.751, 0.753, 0.755, 0.758, 0.760, 0.762, 0.764, 0.767,\n & 0.769, 0.771, 0.774, 0.776, 0.778, 0.780, 0.783, 0.785, 0.787,\n & 0.789, 0.792, 0.794, 0.796, 0.798, 0.801, 0.803, 0.805, 0.807,\n & 0.810, 0.812, 0.814, 0.816, 0.818, 0.821, 0.823, 0.825, 0.827,\n & 0.829, 0.831, 0.834, 0.836, 0.859, 0.880, 0.900, 0.921, 0.940,\n & 0.960, 0.979, 0.998, 1.016, 1.034, 1.052, 1.070, 1.087, 1.104,\n & 1.121, 1.137, 1.154, 1.169, 1.185, 1.201, 1.216, 1.231, 1.246,\n & 1.260, 1.274, 1.289, 1.302, 1.316, 1.330, 1.343, 1.356, 1.369,\n & 1.382, 1.394, 1.407, 1.419, 1.431, 1.443, 1.455, 1.466, 1.478,\n & 1.489, 1.500, 1.511, 1.522, 1.533, 1.543, 1.554, 1.564, 1.574,\n & 1.584, 1.594, 1.604, 1.614, 1.623, 1.633, 1.642, 1.651, 1.660,\n & 1.670, 1.678, 1.687, 1.696, 1.704, 1.713, 1.721, 1.730, 1.738,\n & 1.746, 1.754, 1.762, 1.770, 1.777, 1.785, 1.793, 1.800, 1.807,\n & 1.815, 1.822, 1.829, 1.836, 1.843, 1.850, 1.857, 1.864, 1.870,\n & 1.877, 1.883, 1.890, 1.896, 1.903, 1.909, 1.915, 1.921, 1.927,\n & 1.933, 1.939, 1.945, 1.951, 1.957, 1.962, 1.968, 1.973, 1.979,\n & 1.984, 1.990, 1.995, 2.000, 2.006, 2.011, 2.016, 2.021, 2.026,\n & 2.031, 2.036, 2.041, 2.045, 2.050, 2.055, 2.059, 2.064, 2.069,\n & 2.073, 2.078, 2.082, 2.086, 2.091, 2.095, 2.099, 2.103, 2.108,\n & 2.112, 2.116, 2.120, 2.124, 2.128, 2.132, 2.135, 2.139, 2.143,\n & 2.147, 2.150, 2.154, 2.158, 2.161, 2.165, 2.168, 2.172, 2.175,\n & 2.179, 2.182, 2.185, 2.189, 2.192, 2.195, 2.198, 2.201, 2.205,\n & 2.208, 2.211, 2.214\n & /\nC\nC *** KNO3\nC\n DATA BNC19M/\n &-0.052,-0.120,-0.158,-0.187,-0.211,-0.232,-0.251,-0.269,-0.285,\n &-0.300,-0.315,-0.329,-0.342,-0.354,-0.367,-0.378,-0.390,-0.401,\n &-0.412,-0.422,-0.432,-0.443,-0.452,-0.462,-0.471,-0.481,-0.490,\n &-0.498,-0.507,-0.516,-0.524,-0.532,-0.540,-0.548,-0.556,-0.564,\n &-0.572,-0.579,-0.587,-0.594,-0.601,-0.608,-0.615,-0.622,-0.629,\n &-0.636,-0.642,-0.649,-0.655,-0.661,-0.668,-0.674,-0.680,-0.686,\n &-0.692,-0.698,-0.704,-0.710,-0.715,-0.721,-0.727,-0.732,-0.738,\n &-0.743,-0.749,-0.754,-0.759,-0.765,-0.770,-0.775,-0.780,-0.785,\n &-0.790,-0.796,-0.801,-0.806,-0.811,-0.816,-0.820,-0.825,-0.830,\n &-0.835,-0.840,-0.845,-0.850,-0.854,-0.859,-0.864,-0.869,-0.873,\n &-0.878,-0.883,-0.888,-0.892,-0.897,-0.902,-0.906,-0.911,-0.916,\n &-0.920,-0.925,-0.929,-0.934,-0.938,-0.943,-0.948,-0.952,-0.957,\n &-0.961,-0.966,-0.970,-0.974,-0.979,-0.983,-0.988,-0.992,-0.996,\n &-1.001,-1.005,-1.009,-1.014,-1.018,-1.022,-1.026,-1.031,-1.035,\n &-1.039,-1.043,-1.047,-1.052,-1.056,-1.060,-1.064,-1.068,-1.072,\n &-1.076,-1.080,-1.084,-1.088,-1.092,-1.096,-1.100,-1.104,-1.108,\n &-1.112,-1.115,-1.119,-1.123,-1.127,-1.131,-1.134,-1.138,-1.142,\n &-1.146,-1.149,-1.153,-1.157,-1.160,-1.164,-1.168,-1.171,-1.175,\n &-1.178,-1.182,-1.185,-1.189,-1.192,-1.196,-1.199,-1.203,-1.206,\n &-1.210,-1.213,-1.217,-1.220,-1.223,-1.227,-1.230,-1.234,-1.237,\n &-1.240,-1.243,-1.247,-1.250,-1.253,-1.257,-1.260,-1.263,-1.266,\n &-1.269,-1.273,-1.276,-1.279,-1.282,-1.285,-1.288,-1.291,-1.295,\n &-1.298,-1.301,-1.304,-1.307,-1.310,-1.313,-1.316,-1.319,-1.322,\n &-1.325,-1.328,-1.331,-1.334,-1.337,-1.340,-1.342,-1.345,-1.348,\n &-1.351,-1.354,-1.357,-1.360,-1.362,-1.365,-1.368,-1.371,-1.374,\n &-1.376,-1.379,-1.382,-1.385,-1.387,-1.390,-1.393,-1.396,-1.398,\n &-1.401,-1.404,-1.406,-1.409,-1.412,-1.414,-1.417,-1.420,-1.422,\n &-1.425,-1.427,-1.430,-1.432,-1.435,-1.438,-1.440,-1.443,-1.445,\n &-1.448,-1.450,-1.453,-1.455,-1.458,-1.460,-1.463,-1.465,-1.468,\n &-1.470,-1.472,-1.475,-1.477,-1.480,-1.482,-1.484,-1.487,-1.489,\n &-1.492,-1.494,-1.496,-1.499,-1.501,-1.503,-1.506,-1.508,-1.510,\n &-1.512,-1.515,-1.517,-1.519,-1.522,-1.524,-1.526,-1.528,-1.531,\n &-1.533,-1.535,-1.537,-1.539,-1.542,-1.544,-1.546,-1.548,-1.550,\n &-1.552,-1.555,-1.557,-1.559,-1.561,-1.563,-1.565,-1.567,-1.569,\n &-1.572,-1.574,-1.576,-1.578,-1.580,-1.582,-1.584,-1.586,-1.588,\n &-1.590,-1.592,-1.594,-1.596,-1.598,-1.600,-1.602,-1.604,-1.606,\n &-1.608,-1.610,-1.612,-1.614,-1.616,-1.618,-1.620,-1.622,-1.624,\n &-1.626,-1.628,-1.630,-1.632,-1.633,-1.635,-1.637,-1.639,-1.641,\n &-1.643,-1.645,-1.647,-1.648,-1.650,-1.652,-1.654,-1.656,-1.658,\n &-1.660,-1.661,-1.663,-1.665,-1.667,-1.669,-1.670,-1.672,-1.674,\n &-1.676,-1.678,-1.679,-1.681,-1.683,-1.685,-1.686,-1.688,-1.690,\n &-1.692,-1.693,-1.695,-1.697,-1.698,-1.700,-1.702,-1.704,-1.705,\n &-1.707,-1.709,-1.710,-1.712,-1.714,-1.715,-1.717,-1.719,-1.720,\n &-1.722,-1.724,-1.725,-1.727,-1.729,-1.730,-1.732,-1.733,-1.735,\n &-1.737,-1.738,-1.740,-1.741,-1.758,-1.774,-1.789,-1.803,-1.817,\n &-1.831,-1.845,-1.858,-1.871,-1.884,-1.896,-1.908,-1.920,-1.932,\n &-1.943,-1.954,-1.965,-1.976,-1.987,-1.997,-2.008,-2.018,-2.028,\n &-2.037,-2.047,-2.056,-2.066,-2.075,-2.084,-2.093,-2.102,-2.111,\n &-2.119,-2.128,-2.136,-2.144,-2.152,-2.161,-2.169,-2.176,-2.184,\n &-2.192,-2.200,-2.207,-2.215,-2.222,-2.230,-2.237,-2.244,-2.251,\n &-2.259,-2.266,-2.273,-2.280,-2.287,-2.293,-2.300,-2.307,-2.314,\n &-2.320,-2.327,-2.334,-2.340,-2.347,-2.353,-2.360,-2.366,-2.372,\n &-2.379,-2.385,-2.391,-2.397,-2.403,-2.410,-2.416,-2.422,-2.428,\n &-2.434,-2.440,-2.446,-2.452,-2.458,-2.464,-2.470,-2.475,-2.481,\n &-2.487,-2.493,-2.499,-2.504,-2.510,-2.516,-2.522,-2.527,-2.533,\n &-2.539,-2.544,-2.550,-2.555,-2.561,-2.566,-2.572,-2.578,-2.583,\n &-2.588,-2.594,-2.599,-2.605,-2.610,-2.616,-2.621,-2.627,-2.632,\n &-2.637,-2.643,-2.648,-2.653,-2.659,-2.664,-2.669,-2.675,-2.680,\n &-2.685,-2.690,-2.696,-2.701,-2.706,-2.711,-2.716,-2.722,-2.727,\n &-2.732,-2.737,-2.742,-2.748,-2.753,-2.758,-2.763,-2.768,-2.773,\n &-2.778,-2.783,-2.788,-2.794,-2.799,-2.804,-2.809,-2.814,-2.819,\n &-2.824,-2.829,-2.834,-2.839,-2.844,-2.849,-2.854,-2.859,-2.864,\n &-2.869,-2.874,-2.879\n & /\nC\nC *** KCL\nC\n DATA BNC20M/\n &-0.049,-0.105,-0.132,-0.151,-0.164,-0.176,-0.185,-0.193,-0.200,\n &-0.206,-0.211,-0.216,-0.221,-0.224,-0.228,-0.231,-0.234,-0.237,\n &-0.240,-0.242,-0.244,-0.246,-0.248,-0.250,-0.252,-0.253,-0.255,\n &-0.256,-0.257,-0.258,-0.260,-0.261,-0.262,-0.263,-0.264,-0.265,\n &-0.265,-0.266,-0.267,-0.268,-0.268,-0.269,-0.270,-0.270,-0.271,\n &-0.271,-0.272,-0.272,-0.273,-0.273,-0.274,-0.274,-0.275,-0.275,\n &-0.275,-0.276,-0.276,-0.276,-0.277,-0.277,-0.277,-0.278,-0.278,\n &-0.278,-0.278,-0.279,-0.279,-0.279,-0.279,-0.280,-0.280,-0.280,\n &-0.280,-0.280,-0.280,-0.280,-0.281,-0.281,-0.281,-0.281,-0.281,\n &-0.281,-0.281,-0.281,-0.281,-0.281,-0.281,-0.281,-0.281,-0.281,\n &-0.281,-0.281,-0.281,-0.281,-0.281,-0.281,-0.281,-0.280,-0.280,\n &-0.280,-0.280,-0.280,-0.280,-0.280,-0.279,-0.279,-0.279,-0.279,\n &-0.279,-0.278,-0.278,-0.278,-0.278,-0.278,-0.277,-0.277,-0.277,\n &-0.277,-0.276,-0.276,-0.276,-0.276,-0.275,-0.275,-0.275,-0.275,\n &-0.274,-0.274,-0.274,-0.273,-0.273,-0.273,-0.273,-0.272,-0.272,\n &-0.272,-0.271,-0.271,-0.271,-0.270,-0.270,-0.270,-0.270,-0.269,\n &-0.269,-0.269,-0.268,-0.268,-0.268,-0.267,-0.267,-0.267,-0.267,\n &-0.266,-0.266,-0.266,-0.265,-0.265,-0.265,-0.264,-0.264,-0.264,\n &-0.263,-0.263,-0.263,-0.262,-0.262,-0.262,-0.262,-0.261,-0.261,\n &-0.261,-0.260,-0.260,-0.260,-0.259,-0.259,-0.259,-0.258,-0.258,\n &-0.258,-0.258,-0.257,-0.257,-0.257,-0.256,-0.256,-0.256,-0.255,\n &-0.255,-0.255,-0.254,-0.254,-0.254,-0.254,-0.253,-0.253,-0.253,\n &-0.252,-0.252,-0.252,-0.251,-0.251,-0.251,-0.251,-0.250,-0.250,\n &-0.250,-0.249,-0.249,-0.249,-0.248,-0.248,-0.248,-0.248,-0.247,\n &-0.247,-0.247,-0.246,-0.246,-0.246,-0.246,-0.245,-0.245,-0.245,\n &-0.244,-0.244,-0.244,-0.244,-0.243,-0.243,-0.243,-0.242,-0.242,\n &-0.242,-0.242,-0.241,-0.241,-0.241,-0.241,-0.240,-0.240,-0.240,\n &-0.239,-0.239,-0.239,-0.239,-0.238,-0.238,-0.238,-0.238,-0.237,\n &-0.237,-0.237,-0.236,-0.236,-0.236,-0.236,-0.235,-0.235,-0.235,\n &-0.235,-0.234,-0.234,-0.234,-0.234,-0.233,-0.233,-0.233,-0.233,\n &-0.232,-0.232,-0.232,-0.232,-0.231,-0.231,-0.231,-0.231,-0.230,\n &-0.230,-0.230,-0.230,-0.229,-0.229,-0.229,-0.229,-0.228,-0.228,\n &-0.228,-0.228,-0.227,-0.227,-0.227,-0.227,-0.226,-0.226,-0.226,\n &-0.226,-0.226,-0.225,-0.225,-0.225,-0.225,-0.224,-0.224,-0.224,\n &-0.224,-0.223,-0.223,-0.223,-0.223,-0.223,-0.222,-0.222,-0.222,\n &-0.222,-0.221,-0.221,-0.221,-0.221,-0.221,-0.220,-0.220,-0.220,\n &-0.220,-0.220,-0.219,-0.219,-0.219,-0.219,-0.218,-0.218,-0.218,\n &-0.218,-0.218,-0.217,-0.217,-0.217,-0.217,-0.217,-0.216,-0.216,\n &-0.216,-0.216,-0.216,-0.215,-0.215,-0.215,-0.215,-0.215,-0.215,\n &-0.214,-0.214,-0.214,-0.214,-0.214,-0.213,-0.213,-0.213,-0.213,\n &-0.213,-0.212,-0.212,-0.212,-0.212,-0.212,-0.212,-0.211,-0.211,\n &-0.211,-0.211,-0.211,-0.210,-0.210,-0.210,-0.210,-0.210,-0.210,\n &-0.209,-0.209,-0.209,-0.209,-0.209,-0.209,-0.208,-0.208,-0.208,\n &-0.208,-0.208,-0.208,-0.207,-0.207,-0.207,-0.207,-0.207,-0.207,\n &-0.206,-0.206,-0.206,-0.206,-0.204,-0.203,-0.202,-0.200,-0.199,\n &-0.198,-0.197,-0.196,-0.195,-0.194,-0.193,-0.192,-0.191,-0.190,\n &-0.190,-0.189,-0.189,-0.188,-0.188,-0.187,-0.187,-0.187,-0.186,\n &-0.186,-0.186,-0.186,-0.186,-0.186,-0.186,-0.186,-0.186,-0.186,\n &-0.186,-0.186,-0.187,-0.187,-0.187,-0.187,-0.188,-0.188,-0.189,\n &-0.189,-0.190,-0.190,-0.191,-0.191,-0.192,-0.193,-0.193,-0.194,\n &-0.195,-0.196,-0.196,-0.197,-0.198,-0.199,-0.200,-0.201,-0.202,\n &-0.203,-0.204,-0.205,-0.206,-0.207,-0.208,-0.209,-0.210,-0.212,\n &-0.213,-0.214,-0.215,-0.217,-0.218,-0.219,-0.220,-0.222,-0.223,\n &-0.225,-0.226,-0.227,-0.229,-0.230,-0.232,-0.233,-0.235,-0.236,\n &-0.238,-0.239,-0.241,-0.243,-0.244,-0.246,-0.247,-0.249,-0.251,\n &-0.252,-0.254,-0.256,-0.258,-0.259,-0.261,-0.263,-0.265,-0.266,\n &-0.268,-0.270,-0.272,-0.274,-0.276,-0.278,-0.280,-0.281,-0.283,\n &-0.285,-0.287,-0.289,-0.291,-0.293,-0.295,-0.297,-0.299,-0.301,\n &-0.303,-0.305,-0.307,-0.309,-0.311,-0.314,-0.316,-0.318,-0.320,\n &-0.322,-0.324,-0.326,-0.329,-0.331,-0.333,-0.335,-0.337,-0.340,\n &-0.342,-0.344,-0.346,-0.348,-0.351,-0.353,-0.355,-0.358,-0.360,\n &-0.362,-0.364,-0.367,-0.369,-0.371,-0.374,-0.376,-0.379,-0.381,\n &-0.383,-0.386,-0.388\n & /\nC\nC *** MGSO4\nC\n DATA BNC21M/\n &-0.200,-0.434,-0.550,-0.632,-0.696,-0.748,-0.793,-0.833,-0.868,\n &-0.900,-0.928,-0.955,-0.979,-1.002,-1.023,-1.043,-1.062,-1.079,\n &-1.096,-1.112,-1.127,-1.142,-1.156,-1.170,-1.182,-1.195,-1.207,\n &-1.218,-1.230,-1.241,-1.251,-1.261,-1.271,-1.281,-1.290,-1.300,\n &-1.309,-1.317,-1.326,-1.334,-1.342,-1.350,-1.358,-1.366,-1.373,\n &-1.381,-1.388,-1.395,-1.402,-1.409,-1.416,-1.422,-1.429,-1.435,\n &-1.442,-1.448,-1.454,-1.460,-1.466,-1.472,-1.478,-1.484,-1.489,\n &-1.495,-1.500,-1.506,-1.511,-1.517,-1.522,-1.527,-1.532,-1.537,\n &-1.542,-1.547,-1.552,-1.557,-1.562,-1.567,-1.571,-1.576,-1.581,\n &-1.585,-1.590,-1.594,-1.599,-1.603,-1.608,-1.612,-1.616,-1.620,\n &-1.625,-1.629,-1.633,-1.637,-1.641,-1.645,-1.649,-1.653,-1.657,\n &-1.661,-1.665,-1.669,-1.672,-1.676,-1.680,-1.684,-1.687,-1.691,\n &-1.695,-1.698,-1.702,-1.706,-1.709,-1.713,-1.716,-1.720,-1.723,\n &-1.727,-1.730,-1.733,-1.737,-1.740,-1.744,-1.747,-1.750,-1.753,\n &-1.757,-1.760,-1.763,-1.766,-1.770,-1.773,-1.776,-1.779,-1.782,\n &-1.786,-1.789,-1.792,-1.795,-1.798,-1.801,-1.804,-1.807,-1.810,\n &-1.813,-1.816,-1.819,-1.822,-1.825,-1.828,-1.831,-1.834,-1.837,\n &-1.840,-1.843,-1.846,-1.849,-1.851,-1.854,-1.857,-1.860,-1.863,\n &-1.866,-1.868,-1.871,-1.874,-1.877,-1.880,-1.882,-1.885,-1.888,\n &-1.891,-1.894,-1.896,-1.899,-1.902,-1.904,-1.907,-1.910,-1.913,\n &-1.915,-1.918,-1.921,-1.923,-1.926,-1.929,-1.931,-1.934,-1.936,\n &-1.939,-1.942,-1.944,-1.947,-1.950,-1.952,-1.955,-1.957,-1.960,\n &-1.962,-1.965,-1.968,-1.970,-1.973,-1.975,-1.978,-1.980,-1.983,\n &-1.985,-1.988,-1.990,-1.993,-1.995,-1.998,-2.000,-2.003,-2.005,\n &-2.008,-2.010,-2.013,-2.015,-2.018,-2.020,-2.023,-2.025,-2.028,\n &-2.030,-2.032,-2.035,-2.037,-2.040,-2.042,-2.044,-2.047,-2.049,\n &-2.052,-2.054,-2.057,-2.059,-2.061,-2.064,-2.066,-2.068,-2.071,\n &-2.073,-2.076,-2.078,-2.080,-2.083,-2.085,-2.087,-2.090,-2.092,\n &-2.094,-2.097,-2.099,-2.101,-2.104,-2.106,-2.108,-2.111,-2.113,\n &-2.115,-2.118,-2.120,-2.122,-2.124,-2.127,-2.129,-2.131,-2.134,\n &-2.136,-2.138,-2.141,-2.143,-2.145,-2.147,-2.150,-2.152,-2.154,\n &-2.156,-2.159,-2.161,-2.163,-2.165,-2.168,-2.170,-2.172,-2.174,\n &-2.177,-2.179,-2.181,-2.183,-2.186,-2.188,-2.190,-2.192,-2.195,\n &-2.197,-2.199,-2.201,-2.203,-2.206,-2.208,-2.210,-2.212,-2.214,\n &-2.217,-2.219,-2.221,-2.223,-2.225,-2.228,-2.230,-2.232,-2.234,\n &-2.236,-2.239,-2.241,-2.243,-2.245,-2.247,-2.249,-2.252,-2.254,\n &-2.256,-2.258,-2.260,-2.262,-2.265,-2.267,-2.269,-2.271,-2.273,\n &-2.275,-2.278,-2.280,-2.282,-2.284,-2.286,-2.288,-2.290,-2.293,\n &-2.295,-2.297,-2.299,-2.301,-2.303,-2.305,-2.308,-2.310,-2.312,\n &-2.314,-2.316,-2.318,-2.320,-2.322,-2.325,-2.327,-2.329,-2.331,\n &-2.333,-2.335,-2.337,-2.339,-2.341,-2.344,-2.346,-2.348,-2.350,\n &-2.352,-2.354,-2.356,-2.358,-2.360,-2.362,-2.365,-2.367,-2.369,\n &-2.371,-2.373,-2.375,-2.377,-2.379,-2.381,-2.383,-2.385,-2.388,\n &-2.390,-2.392,-2.394,-2.396,-2.398,-2.400,-2.402,-2.404,-2.406,\n &-2.408,-2.410,-2.412,-2.415,-2.437,-2.457,-2.478,-2.498,-2.518,\n &-2.539,-2.559,-2.579,-2.599,-2.619,-2.638,-2.658,-2.678,-2.698,\n &-2.717,-2.737,-2.756,-2.776,-2.795,-2.815,-2.834,-2.854,-2.873,\n &-2.892,-2.911,-2.931,-2.950,-2.969,-2.988,-3.007,-3.026,-3.045,\n &-3.064,-3.083,-3.102,-3.121,-3.140,-3.159,-3.178,-3.197,-3.215,\n &-3.234,-3.253,-3.272,-3.291,-3.309,-3.328,-3.347,-3.365,-3.384,\n &-3.403,-3.421,-3.440,-3.459,-3.477,-3.496,-3.514,-3.533,-3.551,\n &-3.570,-3.588,-3.607,-3.625,-3.644,-3.662,-3.681,-3.699,-3.718,\n &-3.736,-3.754,-3.773,-3.791,-3.810,-3.828,-3.846,-3.865,-3.883,\n &-3.901,-3.920,-3.938,-3.956,-3.974,-3.993,-4.011,-4.029,-4.047,\n &-4.066,-4.084,-4.102,-4.120,-4.139,-4.157,-4.175,-4.193,-4.211,\n &-4.229,-4.248,-4.266,-4.284,-4.302,-4.320,-4.338,-4.356,-4.374,\n &-4.392,-4.411,-4.429,-4.447,-4.465,-4.483,-4.501,-4.519,-4.537,\n &-4.555,-4.573,-4.591,-4.609,-4.627,-4.645,-4.663,-4.681,-4.699,\n &-4.717,-4.735,-4.753,-4.771,-4.789,-4.807,-4.825,-4.842,-4.860,\n &-4.878,-4.896,-4.914,-4.932,-4.950,-4.968,-4.986,-5.004,-5.021,\n &-5.039,-5.057,-5.075,-5.093,-5.111,-5.129,-5.146,-5.164,-5.182,\n &-5.200,-5.218,-5.235,-5.253,-5.271,-5.289,-5.307,-5.324,-5.342,\n &-5.360,-5.378,-5.395\n & /\nC\nC *** MGNO32\nC\n DATA BNC22M/\n &-0.097,-0.201,-0.248,-0.278,-0.300,-0.316,-0.329,-0.339,-0.347,\n &-0.354,-0.359,-0.363,-0.366,-0.369,-0.370,-0.372,-0.372,-0.373,\n &-0.372,-0.372,-0.371,-0.370,-0.369,-0.367,-0.366,-0.364,-0.362,\n &-0.359,-0.357,-0.354,-0.352,-0.349,-0.346,-0.344,-0.341,-0.338,\n &-0.334,-0.331,-0.328,-0.325,-0.322,-0.318,-0.315,-0.312,-0.308,\n &-0.305,-0.301,-0.298,-0.294,-0.291,-0.287,-0.284,-0.280,-0.277,\n &-0.273,-0.270,-0.266,-0.263,-0.259,-0.256,-0.252,-0.248,-0.245,\n &-0.241,-0.238,-0.234,-0.230,-0.227,-0.223,-0.219,-0.216,-0.212,\n &-0.208,-0.204,-0.201,-0.197,-0.193,-0.189,-0.185,-0.181,-0.177,\n &-0.173,-0.169,-0.165,-0.161,-0.157,-0.153,-0.149,-0.145,-0.141,\n &-0.136,-0.132,-0.128,-0.123,-0.119,-0.115,-0.110,-0.106,-0.101,\n &-0.097,-0.092,-0.087,-0.083,-0.078,-0.073,-0.069,-0.064,-0.059,\n &-0.055,-0.050,-0.045,-0.040,-0.035,-0.031,-0.026,-0.021,-0.016,\n &-0.011,-0.006,-0.001, 0.003, 0.008, 0.013, 0.018, 0.023, 0.028,\n & 0.033, 0.038, 0.043, 0.048, 0.052, 0.057, 0.062, 0.067, 0.072,\n & 0.077, 0.082, 0.087, 0.092, 0.097, 0.101, 0.106, 0.111, 0.116,\n & 0.121, 0.126, 0.131, 0.135, 0.140, 0.145, 0.150, 0.155, 0.160,\n & 0.164, 0.169, 0.174, 0.179, 0.184, 0.188, 0.193, 0.198, 0.203,\n & 0.207, 0.212, 0.217, 0.222, 0.226, 0.231, 0.236, 0.241, 0.245,\n & 0.250, 0.255, 0.259, 0.264, 0.269, 0.273, 0.278, 0.283, 0.287,\n & 0.292, 0.297, 0.301, 0.306, 0.311, 0.315, 0.320, 0.324, 0.329,\n & 0.333, 0.338, 0.343, 0.347, 0.352, 0.356, 0.361, 0.365, 0.370,\n & 0.374, 0.379, 0.383, 0.388, 0.392, 0.397, 0.401, 0.406, 0.410,\n & 0.414, 0.419, 0.423, 0.428, 0.432, 0.437, 0.441, 0.445, 0.450,\n & 0.454, 0.458, 0.463, 0.467, 0.472, 0.476, 0.480, 0.484, 0.489,\n & 0.493, 0.497, 0.502, 0.506, 0.510, 0.514, 0.519, 0.523, 0.527,\n & 0.531, 0.536, 0.540, 0.544, 0.548, 0.553, 0.557, 0.561, 0.565,\n & 0.569, 0.573, 0.578, 0.582, 0.586, 0.590, 0.594, 0.598, 0.602,\n & 0.606, 0.610, 0.615, 0.619, 0.623, 0.627, 0.631, 0.635, 0.639,\n & 0.643, 0.647, 0.651, 0.655, 0.659, 0.663, 0.667, 0.671, 0.675,\n & 0.679, 0.683, 0.687, 0.691, 0.695, 0.699, 0.703, 0.706, 0.710,\n & 0.714, 0.718, 0.722, 0.726, 0.730, 0.734, 0.738, 0.741, 0.745,\n & 0.749, 0.753, 0.757, 0.761, 0.764, 0.768, 0.772, 0.776, 0.779,\n & 0.783, 0.787, 0.791, 0.795, 0.798, 0.802, 0.806, 0.809, 0.813,\n & 0.817, 0.821, 0.824, 0.828, 0.832, 0.835, 0.839, 0.843, 0.846,\n & 0.850, 0.854, 0.857, 0.861, 0.865, 0.868, 0.872, 0.875, 0.879,\n & 0.883, 0.886, 0.890, 0.893, 0.897, 0.900, 0.904, 0.907, 0.911,\n & 0.915, 0.918, 0.922, 0.925, 0.929, 0.932, 0.936, 0.939, 0.943,\n & 0.946, 0.950, 0.953, 0.956, 0.960, 0.963, 0.967, 0.970, 0.974,\n & 0.977, 0.980, 0.984, 0.987, 0.991, 0.994, 0.997, 1.001, 1.004,\n & 1.007, 1.011, 1.014, 1.018, 1.021, 1.024, 1.028, 1.031, 1.034,\n & 1.037, 1.041, 1.044, 1.047, 1.051, 1.054, 1.057, 1.060, 1.064,\n & 1.067, 1.070, 1.073, 1.077, 1.080, 1.083, 1.086, 1.090, 1.093,\n & 1.096, 1.099, 1.102, 1.106, 1.109, 1.112, 1.115, 1.118, 1.121,\n & 1.125, 1.128, 1.131, 1.134, 1.167, 1.198, 1.228, 1.257, 1.286,\n & 1.314, 1.342, 1.370, 1.397, 1.423, 1.449, 1.475, 1.500, 1.525,\n & 1.549, 1.573, 1.597, 1.620, 1.643, 1.665, 1.687, 1.709, 1.730,\n & 1.751, 1.772, 1.793, 1.813, 1.833, 1.852, 1.871, 1.890, 1.909,\n & 1.927, 1.945, 1.963, 1.981, 1.998, 2.015, 2.032, 2.049, 2.065,\n & 2.081, 2.097, 2.112, 2.128, 2.143, 2.158, 2.173, 2.187, 2.202,\n & 2.216, 2.230, 2.244, 2.257, 2.271, 2.284, 2.297, 2.310, 2.322,\n & 2.335, 2.347, 2.359, 2.371, 2.383, 2.395, 2.406, 2.418, 2.429,\n & 2.440, 2.451, 2.462, 2.472, 2.483, 2.493, 2.503, 2.513, 2.523,\n & 2.533, 2.543, 2.552, 2.562, 2.571, 2.580, 2.589, 2.598, 2.607,\n & 2.616, 2.624, 2.633, 2.641, 2.650, 2.658, 2.666, 2.674, 2.681,\n & 2.689, 2.697, 2.704, 2.712, 2.719, 2.726, 2.733, 2.740, 2.747,\n & 2.754, 2.761, 2.768, 2.774, 2.781, 2.787, 2.793, 2.800, 2.806,\n & 2.812, 2.818, 2.824, 2.830, 2.835, 2.841, 2.847, 2.852, 2.858,\n & 2.863, 2.868, 2.873, 2.879, 2.884, 2.889, 2.893, 2.898, 2.903,\n & 2.908, 2.912, 2.917, 2.922, 2.926, 2.930, 2.935, 2.939, 2.943,\n & 2.947, 2.951, 2.955, 2.959, 2.963, 2.967, 2.971, 2.974, 2.978,\n & 2.982, 2.985, 2.989, 2.992, 2.996, 2.999, 3.002, 3.005, 3.009,\n & 3.012, 3.015, 3.018\n & /\nC\nC *** MGCL2\nC\n DATA BNC23M/\n &-0.096,-0.198,-0.242,-0.270,-0.290,-0.304,-0.315,-0.323,-0.329,\n &-0.333,-0.337,-0.339,-0.340,-0.341,-0.340,-0.340,-0.339,-0.337,\n &-0.335,-0.333,-0.330,-0.327,-0.324,-0.320,-0.317,-0.313,-0.309,\n &-0.305,-0.301,-0.296,-0.292,-0.287,-0.283,-0.278,-0.273,-0.268,\n &-0.263,-0.258,-0.253,-0.248,-0.243,-0.238,-0.233,-0.228,-0.222,\n &-0.217,-0.212,-0.207,-0.202,-0.196,-0.191,-0.186,-0.180,-0.175,\n &-0.170,-0.164,-0.159,-0.154,-0.149,-0.143,-0.138,-0.133,-0.127,\n &-0.122,-0.117,-0.111,-0.106,-0.100,-0.095,-0.090,-0.084,-0.079,\n &-0.073,-0.068,-0.062,-0.057,-0.051,-0.045,-0.040,-0.034,-0.028,\n &-0.023,-0.017,-0.011,-0.005, 0.001, 0.007, 0.013, 0.019, 0.025,\n & 0.031, 0.037, 0.043, 0.049, 0.055, 0.062, 0.068, 0.074, 0.081,\n & 0.087, 0.094, 0.100, 0.107, 0.113, 0.120, 0.126, 0.133, 0.140,\n & 0.146, 0.153, 0.160, 0.166, 0.173, 0.180, 0.187, 0.193, 0.200,\n & 0.207, 0.214, 0.220, 0.227, 0.234, 0.241, 0.248, 0.255, 0.261,\n & 0.268, 0.275, 0.282, 0.289, 0.296, 0.302, 0.309, 0.316, 0.323,\n & 0.330, 0.337, 0.343, 0.350, 0.357, 0.364, 0.371, 0.377, 0.384,\n & 0.391, 0.398, 0.404, 0.411, 0.418, 0.425, 0.431, 0.438, 0.445,\n & 0.451, 0.458, 0.465, 0.471, 0.478, 0.485, 0.491, 0.498, 0.505,\n & 0.511, 0.518, 0.524, 0.531, 0.537, 0.544, 0.551, 0.557, 0.564,\n & 0.570, 0.577, 0.583, 0.590, 0.596, 0.603, 0.609, 0.616, 0.622,\n & 0.628, 0.635, 0.641, 0.648, 0.654, 0.660, 0.667, 0.673, 0.679,\n & 0.686, 0.692, 0.698, 0.705, 0.711, 0.717, 0.724, 0.730, 0.736,\n & 0.742, 0.749, 0.755, 0.761, 0.767, 0.773, 0.780, 0.786, 0.792,\n & 0.798, 0.804, 0.810, 0.816, 0.823, 0.829, 0.835, 0.841, 0.847,\n & 0.853, 0.859, 0.865, 0.871, 0.877, 0.883, 0.889, 0.895, 0.901,\n & 0.907, 0.913, 0.919, 0.925, 0.931, 0.937, 0.942, 0.948, 0.954,\n & 0.960, 0.966, 0.972, 0.978, 0.983, 0.989, 0.995, 1.001, 1.007,\n & 1.012, 1.018, 1.024, 1.030, 1.035, 1.041, 1.047, 1.052, 1.058,\n & 1.064, 1.069, 1.075, 1.081, 1.086, 1.092, 1.098, 1.103, 1.109,\n & 1.114, 1.120, 1.125, 1.131, 1.136, 1.142, 1.148, 1.153, 1.159,\n & 1.164, 1.169, 1.175, 1.180, 1.186, 1.191, 1.197, 1.202, 1.208,\n & 1.213, 1.218, 1.224, 1.229, 1.234, 1.240, 1.245, 1.250, 1.256,\n & 1.261, 1.266, 1.272, 1.277, 1.282, 1.287, 1.293, 1.298, 1.303,\n & 1.308, 1.314, 1.319, 1.324, 1.329, 1.334, 1.339, 1.345, 1.350,\n & 1.355, 1.360, 1.365, 1.370, 1.375, 1.380, 1.385, 1.390, 1.396,\n & 1.401, 1.406, 1.411, 1.416, 1.421, 1.426, 1.431, 1.436, 1.441,\n & 1.446, 1.451, 1.456, 1.460, 1.465, 1.470, 1.475, 1.480, 1.485,\n & 1.490, 1.495, 1.500, 1.504, 1.509, 1.514, 1.519, 1.524, 1.529,\n & 1.533, 1.538, 1.543, 1.548, 1.553, 1.557, 1.562, 1.567, 1.572,\n & 1.576, 1.581, 1.586, 1.590, 1.595, 1.600, 1.604, 1.609, 1.614,\n & 1.618, 1.623, 1.628, 1.632, 1.637, 1.642, 1.646, 1.651, 1.655,\n & 1.660, 1.664, 1.669, 1.674, 1.678, 1.683, 1.687, 1.692, 1.696,\n & 1.701, 1.705, 1.710, 1.714, 1.719, 1.723, 1.728, 1.732, 1.736,\n & 1.741, 1.745, 1.750, 1.754, 1.759, 1.763, 1.767, 1.772, 1.776,\n & 1.780, 1.785, 1.789, 1.793, 1.840, 1.882, 1.923, 1.964, 2.004,\n & 2.044, 2.082, 2.120, 2.158, 2.195, 2.231, 2.267, 2.302, 2.336,\n & 2.370, 2.404, 2.437, 2.469, 2.501, 2.533, 2.564, 2.594, 2.624,\n & 2.654, 2.683, 2.712, 2.741, 2.768, 2.796, 2.823, 2.850, 2.877,\n & 2.903, 2.928, 2.954, 2.979, 3.003, 3.028, 3.052, 3.076, 3.099,\n & 3.122, 3.145, 3.167, 3.190, 3.211, 3.233, 3.254, 3.276, 3.296,\n & 3.317, 3.337, 3.357, 3.377, 3.397, 3.416, 3.435, 3.454, 3.473,\n & 3.491, 3.509, 3.527, 3.545, 3.563, 3.580, 3.597, 3.614, 3.631,\n & 3.647, 3.664, 3.680, 3.696, 3.712, 3.727, 3.743, 3.758, 3.773,\n & 3.788, 3.803, 3.817, 3.832, 3.846, 3.860, 3.874, 3.888, 3.902,\n & 3.915, 3.928, 3.942, 3.955, 3.968, 3.980, 3.993, 4.006, 4.018,\n & 4.030, 4.042, 4.054, 4.066, 4.078, 4.089, 4.101, 4.112, 4.123,\n & 4.134, 4.145, 4.156, 4.167, 4.178, 4.188, 4.199, 4.209, 4.219,\n & 4.229, 4.239, 4.249, 4.259, 4.269, 4.278, 4.288, 4.297, 4.306,\n & 4.316, 4.325, 4.334, 4.343, 4.351, 4.360, 4.369, 4.377, 4.386,\n & 4.394, 4.402, 4.411, 4.419, 4.427, 4.435, 4.442, 4.450, 4.458,\n & 4.466, 4.473, 4.480, 4.488, 4.495, 4.502, 4.510, 4.517, 4.524,\n & 4.531, 4.537, 4.544, 4.551, 4.558, 4.564, 4.571, 4.577, 4.583,\n & 4.590, 4.596, 4.602\n & /\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE KM248\nC *** CALCULATES BINARY ACTIVITY COEFFICIENTS BY KUSIK-MEISSNER METHOD.\nC THE COMPUTATIONS HAVE BEEN PERFORMED AND THE RESULTS ARE STORED IN\nC LOOKUP TABLES. THE IONIC ACTIVITY 'IN' IS INPUT, AND THE ARRAY\nC 'BINARR' IS RETURNED WITH THE BINARY COEFFICIENTS.\nC\nC TEMPERATURE IS 248K\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE KM248 (IONIC, BINARR)\nC\nC *** Common block definition\nC\n COMMON /KMC248/\n &BNC01M( 561),BNC02M( 561),BNC03M( 561),BNC04M( 561),\n &BNC05M( 561),BNC06M( 561),BNC07M( 561),BNC08M( 561),\n &BNC09M( 561),BNC10M( 561),BNC11M( 561),BNC12M( 561),\n &BNC13M( 561),BNC14M( 561),BNC15M( 561),BNC16M( 561),\n &BNC17M( 561),BNC18M( 561),BNC19M( 561),BNC20M( 561),\n &BNC21M( 561),BNC22M( 561),BNC23M( 561)\n REAL Binarr (23), Ionic\nC\nC *** Find position in arrays for bincoef\nC\n IF (Ionic.LE. 0.200000E+02) THEN\n ipos = MIN(NINT( 0.200000E+02*Ionic) + 1, 400)\n ELSE\n ipos = 400+NINT( 0.200000E+01*Ionic- 0.400000E+02)\n ENDIF\n ipos = min(ipos, 561)\nC\nC *** Assign values to return array\nC\n Binarr(01) = BNC01M(ipos)\n Binarr(02) = BNC02M(ipos)\n Binarr(03) = BNC03M(ipos)\n Binarr(04) = BNC04M(ipos)\n Binarr(05) = BNC05M(ipos)\n Binarr(06) = BNC06M(ipos)\n Binarr(07) = BNC07M(ipos)\n Binarr(08) = BNC08M(ipos)\n Binarr(09) = BNC09M(ipos)\n Binarr(10) = BNC10M(ipos)\n Binarr(11) = BNC11M(ipos)\n Binarr(12) = BNC12M(ipos)\n Binarr(13) = BNC13M(ipos)\n Binarr(14) = BNC14M(ipos)\n Binarr(15) = BNC15M(ipos)\n Binarr(16) = BNC16M(ipos)\n Binarr(17) = BNC17M(ipos)\n Binarr(18) = BNC18M(ipos)\n Binarr(19) = BNC19M(ipos)\n Binarr(20) = BNC20M(ipos)\n Binarr(21) = BNC21M(ipos)\n Binarr(22) = BNC22M(ipos)\n Binarr(23) = BNC23M(ipos)\nC\nC *** Return point ; End of subroutine\nC\n RETURN\n END\n\n\n BLOCK DATA KMCF248\nC\nC *** Common block definition\nC\n COMMON /KMC248/\n &BNC01M( 561),BNC02M( 561),BNC03M( 561),BNC04M( 561),\n &BNC05M( 561),BNC06M( 561),BNC07M( 561),BNC08M( 561),\n &BNC09M( 561),BNC10M( 561),BNC11M( 561),BNC12M( 561),\n &BNC13M( 561),BNC14M( 561),BNC15M( 561),BNC16M( 561),\n &BNC17M( 561),BNC18M( 561),BNC19M( 561),BNC20M( 561),\n &BNC21M( 561),BNC22M( 561),BNC23M( 561)\n\nC\nC *** NaCl\nC\n DATA BNC01M/\n &-0.047,-0.099,-0.122,-0.137,-0.148,-0.156,-0.163,-0.168,-0.172,\n &-0.176,-0.178,-0.181,-0.182,-0.184,-0.185,-0.186,-0.186,-0.187,\n &-0.187,-0.187,-0.187,-0.187,-0.186,-0.186,-0.185,-0.184,-0.184,\n &-0.183,-0.182,-0.181,-0.180,-0.179,-0.178,-0.176,-0.175,-0.174,\n &-0.173,-0.171,-0.170,-0.168,-0.167,-0.166,-0.164,-0.163,-0.161,\n &-0.160,-0.158,-0.157,-0.155,-0.154,-0.152,-0.151,-0.149,-0.148,\n &-0.146,-0.145,-0.143,-0.141,-0.140,-0.138,-0.137,-0.135,-0.134,\n &-0.132,-0.130,-0.129,-0.127,-0.126,-0.124,-0.122,-0.121,-0.119,\n &-0.117,-0.116,-0.114,-0.112,-0.111,-0.109,-0.107,-0.105,-0.104,\n &-0.102,-0.100,-0.098,-0.096,-0.095,-0.093,-0.091,-0.089,-0.087,\n &-0.085,-0.083,-0.081,-0.079,-0.077,-0.075,-0.073,-0.071,-0.069,\n &-0.067,-0.065,-0.063,-0.061,-0.059,-0.057,-0.055,-0.053,-0.051,\n &-0.048,-0.046,-0.044,-0.042,-0.040,-0.038,-0.036,-0.033,-0.031,\n &-0.029,-0.027,-0.025,-0.022,-0.020,-0.018,-0.016,-0.014,-0.011,\n &-0.009,-0.007,-0.005,-0.003, 0.000, 0.002, 0.004, 0.006, 0.008,\n & 0.011, 0.013, 0.015, 0.017, 0.020, 0.022, 0.024, 0.026, 0.028,\n & 0.030, 0.033, 0.035, 0.037, 0.039, 0.041, 0.044, 0.046, 0.048,\n & 0.050, 0.052, 0.054, 0.057, 0.059, 0.061, 0.063, 0.065, 0.067,\n & 0.070, 0.072, 0.074, 0.076, 0.078, 0.080, 0.082, 0.085, 0.087,\n & 0.089, 0.091, 0.093, 0.095, 0.097, 0.099, 0.102, 0.104, 0.106,\n & 0.108, 0.110, 0.112, 0.114, 0.116, 0.118, 0.120, 0.122, 0.125,\n & 0.127, 0.129, 0.131, 0.133, 0.135, 0.137, 0.139, 0.141, 0.143,\n & 0.145, 0.147, 0.149, 0.151, 0.153, 0.155, 0.157, 0.159, 0.161,\n & 0.163, 0.165, 0.167, 0.169, 0.171, 0.173, 0.175, 0.177, 0.179,\n & 0.181, 0.183, 0.185, 0.187, 0.189, 0.191, 0.193, 0.195, 0.197,\n & 0.199, 0.201, 0.203, 0.205, 0.207, 0.209, 0.211, 0.213, 0.215,\n & 0.217, 0.219, 0.221, 0.223, 0.224, 0.226, 0.228, 0.230, 0.232,\n & 0.234, 0.236, 0.238, 0.240, 0.242, 0.243, 0.245, 0.247, 0.249,\n & 0.251, 0.253, 0.255, 0.257, 0.258, 0.260, 0.262, 0.264, 0.266,\n & 0.268, 0.270, 0.271, 0.273, 0.275, 0.277, 0.279, 0.281, 0.282,\n & 0.284, 0.286, 0.288, 0.290, 0.291, 0.293, 0.295, 0.297, 0.299,\n & 0.300, 0.302, 0.304, 0.306, 0.308, 0.309, 0.311, 0.313, 0.315,\n & 0.316, 0.318, 0.320, 0.322, 0.323, 0.325, 0.327, 0.329, 0.330,\n & 0.332, 0.334, 0.336, 0.337, 0.339, 0.341, 0.342, 0.344, 0.346,\n & 0.348, 0.349, 0.351, 0.353, 0.354, 0.356, 0.358, 0.359, 0.361,\n & 0.363, 0.364, 0.366, 0.368, 0.370, 0.371, 0.373, 0.374, 0.376,\n & 0.378, 0.379, 0.381, 0.383, 0.384, 0.386, 0.388, 0.389, 0.391,\n & 0.393, 0.394, 0.396, 0.397, 0.399, 0.401, 0.402, 0.404, 0.406,\n & 0.407, 0.409, 0.410, 0.412, 0.414, 0.415, 0.417, 0.418, 0.420,\n & 0.421, 0.423, 0.425, 0.426, 0.428, 0.429, 0.431, 0.433, 0.434,\n & 0.436, 0.437, 0.439, 0.440, 0.442, 0.443, 0.445, 0.446, 0.448,\n & 0.450, 0.451, 0.453, 0.454, 0.456, 0.457, 0.459, 0.460, 0.462,\n & 0.463, 0.465, 0.466, 0.468, 0.469, 0.471, 0.472, 0.474, 0.475,\n & 0.477, 0.478, 0.480, 0.481, 0.483, 0.484, 0.486, 0.487, 0.489,\n & 0.490, 0.491, 0.493, 0.494, 0.510, 0.524, 0.538, 0.552, 0.566,\n & 0.579, 0.592, 0.605, 0.618, 0.630, 0.642, 0.655, 0.667, 0.678,\n & 0.690, 0.701, 0.713, 0.724, 0.735, 0.745, 0.756, 0.766, 0.777,\n & 0.787, 0.797, 0.807, 0.817, 0.826, 0.836, 0.845, 0.854, 0.864,\n & 0.873, 0.881, 0.890, 0.899, 0.907, 0.916, 0.924, 0.932, 0.940,\n & 0.948, 0.956, 0.964, 0.972, 0.979, 0.987, 0.994, 1.002, 1.009,\n & 1.016, 1.023, 1.030, 1.037, 1.044, 1.051, 1.057, 1.064, 1.070,\n & 1.077, 1.083, 1.089, 1.096, 1.102, 1.108, 1.114, 1.120, 1.126,\n & 1.132, 1.137, 1.143, 1.149, 1.154, 1.160, 1.165, 1.170, 1.176,\n & 1.181, 1.186, 1.191, 1.196, 1.201, 1.206, 1.211, 1.216, 1.221,\n & 1.226, 1.231, 1.235, 1.240, 1.244, 1.249, 1.253, 1.258, 1.262,\n & 1.267, 1.271, 1.275, 1.279, 1.284, 1.288, 1.292, 1.296, 1.300,\n & 1.304, 1.308, 1.312, 1.315, 1.319, 1.323, 1.327, 1.330, 1.334,\n & 1.338, 1.341, 1.345, 1.348, 1.352, 1.355, 1.358, 1.362, 1.365,\n & 1.368, 1.372, 1.375, 1.378, 1.381, 1.384, 1.388, 1.391, 1.394,\n & 1.397, 1.400, 1.403, 1.406, 1.409, 1.411, 1.414, 1.417, 1.420,\n & 1.423, 1.425, 1.428, 1.431, 1.433, 1.436, 1.439, 1.441, 1.444,\n & 1.446, 1.449, 1.451, 1.454, 1.456, 1.458, 1.461, 1.463, 1.466,\n & 1.468, 1.470, 1.472\n & /\nC\nC *** Na2SO4\nC\n DATA BNC02M/\n &-0.098,-0.214,-0.272,-0.313,-0.346,-0.373,-0.396,-0.417,-0.435,\n &-0.452,-0.467,-0.481,-0.494,-0.506,-0.518,-0.529,-0.539,-0.549,\n &-0.558,-0.567,-0.575,-0.583,-0.591,-0.599,-0.606,-0.613,-0.620,\n &-0.627,-0.633,-0.639,-0.645,-0.651,-0.657,-0.662,-0.668,-0.673,\n &-0.678,-0.683,-0.688,-0.693,-0.698,-0.703,-0.707,-0.712,-0.716,\n &-0.721,-0.725,-0.729,-0.733,-0.737,-0.741,-0.745,-0.749,-0.753,\n &-0.756,-0.760,-0.764,-0.767,-0.771,-0.774,-0.778,-0.781,-0.784,\n &-0.788,-0.791,-0.794,-0.797,-0.801,-0.804,-0.807,-0.810,-0.813,\n &-0.816,-0.819,-0.822,-0.825,-0.827,-0.830,-0.833,-0.836,-0.839,\n &-0.841,-0.844,-0.847,-0.850,-0.852,-0.855,-0.858,-0.860,-0.863,\n &-0.865,-0.868,-0.871,-0.873,-0.876,-0.878,-0.881,-0.883,-0.885,\n &-0.888,-0.890,-0.893,-0.895,-0.897,-0.900,-0.902,-0.905,-0.907,\n &-0.909,-0.911,-0.914,-0.916,-0.918,-0.921,-0.923,-0.925,-0.927,\n &-0.929,-0.932,-0.934,-0.936,-0.938,-0.940,-0.942,-0.945,-0.947,\n &-0.949,-0.951,-0.953,-0.955,-0.957,-0.959,-0.961,-0.963,-0.965,\n &-0.967,-0.969,-0.971,-0.973,-0.975,-0.977,-0.979,-0.981,-0.983,\n &-0.985,-0.987,-0.989,-0.991,-0.993,-0.995,-0.997,-0.999,-1.001,\n &-1.002,-1.004,-1.006,-1.008,-1.010,-1.012,-1.014,-1.015,-1.017,\n &-1.019,-1.021,-1.023,-1.025,-1.026,-1.028,-1.030,-1.032,-1.033,\n &-1.035,-1.037,-1.039,-1.040,-1.042,-1.044,-1.046,-1.047,-1.049,\n &-1.051,-1.053,-1.054,-1.056,-1.058,-1.059,-1.061,-1.063,-1.064,\n &-1.066,-1.068,-1.069,-1.071,-1.073,-1.074,-1.076,-1.078,-1.079,\n &-1.081,-1.082,-1.084,-1.086,-1.087,-1.089,-1.090,-1.092,-1.094,\n &-1.095,-1.097,-1.098,-1.100,-1.102,-1.103,-1.105,-1.106,-1.108,\n &-1.109,-1.111,-1.112,-1.114,-1.116,-1.117,-1.119,-1.120,-1.122,\n &-1.123,-1.125,-1.126,-1.128,-1.129,-1.131,-1.132,-1.134,-1.135,\n &-1.137,-1.138,-1.140,-1.141,-1.143,-1.144,-1.146,-1.147,-1.148,\n &-1.150,-1.151,-1.153,-1.154,-1.156,-1.157,-1.159,-1.160,-1.161,\n &-1.163,-1.164,-1.166,-1.167,-1.169,-1.170,-1.171,-1.173,-1.174,\n &-1.176,-1.177,-1.178,-1.180,-1.181,-1.183,-1.184,-1.185,-1.187,\n &-1.188,-1.190,-1.191,-1.192,-1.194,-1.195,-1.196,-1.198,-1.199,\n &-1.201,-1.202,-1.203,-1.205,-1.206,-1.207,-1.209,-1.210,-1.211,\n &-1.213,-1.214,-1.215,-1.217,-1.218,-1.219,-1.221,-1.222,-1.223,\n &-1.225,-1.226,-1.227,-1.229,-1.230,-1.231,-1.233,-1.234,-1.235,\n &-1.236,-1.238,-1.239,-1.240,-1.242,-1.243,-1.244,-1.246,-1.247,\n &-1.248,-1.249,-1.251,-1.252,-1.253,-1.255,-1.256,-1.257,-1.258,\n &-1.260,-1.261,-1.262,-1.263,-1.265,-1.266,-1.267,-1.268,-1.270,\n &-1.271,-1.272,-1.273,-1.275,-1.276,-1.277,-1.278,-1.280,-1.281,\n &-1.282,-1.283,-1.285,-1.286,-1.287,-1.288,-1.290,-1.291,-1.292,\n &-1.293,-1.294,-1.296,-1.297,-1.298,-1.299,-1.301,-1.302,-1.303,\n &-1.304,-1.305,-1.307,-1.308,-1.309,-1.310,-1.311,-1.313,-1.314,\n &-1.315,-1.316,-1.317,-1.319,-1.320,-1.321,-1.322,-1.323,-1.324,\n &-1.326,-1.327,-1.328,-1.329,-1.330,-1.332,-1.333,-1.334,-1.335,\n &-1.336,-1.337,-1.339,-1.340,-1.341,-1.342,-1.343,-1.344,-1.346,\n &-1.347,-1.348,-1.349,-1.350,-1.363,-1.374,-1.385,-1.396,-1.407,\n &-1.418,-1.429,-1.440,-1.451,-1.461,-1.472,-1.482,-1.492,-1.503,\n &-1.513,-1.523,-1.533,-1.543,-1.553,-1.563,-1.573,-1.582,-1.592,\n &-1.602,-1.611,-1.621,-1.630,-1.640,-1.649,-1.658,-1.668,-1.677,\n &-1.686,-1.695,-1.704,-1.714,-1.723,-1.732,-1.741,-1.750,-1.758,\n &-1.767,-1.776,-1.785,-1.794,-1.802,-1.811,-1.820,-1.828,-1.837,\n &-1.846,-1.854,-1.863,-1.871,-1.880,-1.888,-1.897,-1.905,-1.913,\n &-1.922,-1.930,-1.938,-1.947,-1.955,-1.963,-1.971,-1.979,-1.988,\n &-1.996,-2.004,-2.012,-2.020,-2.028,-2.036,-2.044,-2.052,-2.060,\n &-2.068,-2.076,-2.084,-2.092,-2.100,-2.108,-2.116,-2.124,-2.131,\n &-2.139,-2.147,-2.155,-2.163,-2.170,-2.178,-2.186,-2.194,-2.201,\n &-2.209,-2.217,-2.224,-2.232,-2.240,-2.247,-2.255,-2.262,-2.270,\n &-2.278,-2.285,-2.293,-2.300,-2.308,-2.315,-2.323,-2.330,-2.338,\n &-2.345,-2.353,-2.360,-2.368,-2.375,-2.382,-2.390,-2.397,-2.405,\n &-2.412,-2.419,-2.427,-2.434,-2.441,-2.449,-2.456,-2.463,-2.471,\n &-2.478,-2.485,-2.492,-2.500,-2.507,-2.514,-2.521,-2.529,-2.536,\n &-2.543,-2.550,-2.557,-2.565,-2.572,-2.579,-2.586,-2.593,-2.600,\n &-2.608,-2.615,-2.622,-2.629,-2.636,-2.643,-2.650,-2.657,-2.664,\n &-2.671,-2.679,-2.686\n & /\nC\nC *** NaNO3\nC\n DATA BNC03M/\n &-0.049,-0.108,-0.137,-0.159,-0.175,-0.190,-0.202,-0.212,-0.222,\n &-0.231,-0.239,-0.247,-0.254,-0.260,-0.266,-0.272,-0.278,-0.283,\n &-0.288,-0.293,-0.298,-0.302,-0.306,-0.311,-0.315,-0.319,-0.322,\n &-0.326,-0.330,-0.333,-0.337,-0.340,-0.343,-0.346,-0.349,-0.352,\n &-0.355,-0.358,-0.361,-0.364,-0.367,-0.369,-0.372,-0.374,-0.377,\n &-0.379,-0.382,-0.384,-0.387,-0.389,-0.391,-0.394,-0.396,-0.398,\n &-0.400,-0.402,-0.404,-0.406,-0.408,-0.410,-0.412,-0.414,-0.416,\n &-0.418,-0.420,-0.422,-0.424,-0.426,-0.428,-0.429,-0.431,-0.433,\n &-0.435,-0.436,-0.438,-0.440,-0.442,-0.443,-0.445,-0.447,-0.448,\n &-0.450,-0.452,-0.453,-0.455,-0.456,-0.458,-0.459,-0.461,-0.463,\n &-0.464,-0.466,-0.467,-0.469,-0.470,-0.472,-0.473,-0.475,-0.476,\n &-0.478,-0.479,-0.481,-0.482,-0.483,-0.485,-0.486,-0.488,-0.489,\n &-0.491,-0.492,-0.493,-0.495,-0.496,-0.498,-0.499,-0.500,-0.502,\n &-0.503,-0.504,-0.506,-0.507,-0.508,-0.510,-0.511,-0.512,-0.514,\n &-0.515,-0.516,-0.518,-0.519,-0.520,-0.521,-0.523,-0.524,-0.525,\n &-0.526,-0.528,-0.529,-0.530,-0.531,-0.533,-0.534,-0.535,-0.536,\n &-0.537,-0.539,-0.540,-0.541,-0.542,-0.543,-0.545,-0.546,-0.547,\n &-0.548,-0.549,-0.550,-0.552,-0.553,-0.554,-0.555,-0.556,-0.557,\n &-0.558,-0.559,-0.561,-0.562,-0.563,-0.564,-0.565,-0.566,-0.567,\n &-0.568,-0.569,-0.570,-0.572,-0.573,-0.574,-0.575,-0.576,-0.577,\n &-0.578,-0.579,-0.580,-0.581,-0.582,-0.583,-0.584,-0.585,-0.586,\n &-0.587,-0.588,-0.589,-0.590,-0.592,-0.593,-0.594,-0.595,-0.596,\n &-0.597,-0.598,-0.599,-0.600,-0.601,-0.602,-0.603,-0.604,-0.605,\n &-0.606,-0.607,-0.607,-0.608,-0.609,-0.610,-0.611,-0.612,-0.613,\n &-0.614,-0.615,-0.616,-0.617,-0.618,-0.619,-0.620,-0.621,-0.622,\n &-0.623,-0.624,-0.625,-0.626,-0.627,-0.627,-0.628,-0.629,-0.630,\n &-0.631,-0.632,-0.633,-0.634,-0.635,-0.636,-0.637,-0.638,-0.638,\n &-0.639,-0.640,-0.641,-0.642,-0.643,-0.644,-0.645,-0.646,-0.646,\n &-0.647,-0.648,-0.649,-0.650,-0.651,-0.652,-0.653,-0.654,-0.654,\n &-0.655,-0.656,-0.657,-0.658,-0.659,-0.660,-0.660,-0.661,-0.662,\n &-0.663,-0.664,-0.665,-0.666,-0.666,-0.667,-0.668,-0.669,-0.670,\n &-0.671,-0.671,-0.672,-0.673,-0.674,-0.675,-0.676,-0.676,-0.677,\n &-0.678,-0.679,-0.680,-0.681,-0.681,-0.682,-0.683,-0.684,-0.685,\n &-0.685,-0.686,-0.687,-0.688,-0.689,-0.689,-0.690,-0.691,-0.692,\n &-0.693,-0.693,-0.694,-0.695,-0.696,-0.697,-0.697,-0.698,-0.699,\n &-0.700,-0.701,-0.701,-0.702,-0.703,-0.704,-0.704,-0.705,-0.706,\n &-0.707,-0.708,-0.708,-0.709,-0.710,-0.711,-0.711,-0.712,-0.713,\n &-0.714,-0.714,-0.715,-0.716,-0.717,-0.718,-0.718,-0.719,-0.720,\n &-0.721,-0.721,-0.722,-0.723,-0.724,-0.724,-0.725,-0.726,-0.727,\n &-0.727,-0.728,-0.729,-0.729,-0.730,-0.731,-0.732,-0.732,-0.733,\n &-0.734,-0.735,-0.735,-0.736,-0.737,-0.738,-0.738,-0.739,-0.740,\n &-0.740,-0.741,-0.742,-0.743,-0.743,-0.744,-0.745,-0.746,-0.746,\n &-0.747,-0.748,-0.748,-0.749,-0.750,-0.751,-0.751,-0.752,-0.753,\n &-0.753,-0.754,-0.755,-0.756,-0.756,-0.757,-0.758,-0.758,-0.759,\n &-0.760,-0.760,-0.761,-0.762,-0.769,-0.776,-0.783,-0.790,-0.796,\n &-0.803,-0.809,-0.816,-0.822,-0.828,-0.835,-0.841,-0.847,-0.853,\n &-0.859,-0.865,-0.871,-0.877,-0.883,-0.888,-0.894,-0.900,-0.905,\n &-0.911,-0.917,-0.922,-0.928,-0.933,-0.939,-0.944,-0.949,-0.955,\n &-0.960,-0.965,-0.971,-0.976,-0.981,-0.986,-0.991,-0.997,-1.002,\n &-1.007,-1.012,-1.017,-1.022,-1.027,-1.032,-1.037,-1.042,-1.046,\n &-1.051,-1.056,-1.061,-1.066,-1.071,-1.075,-1.080,-1.085,-1.089,\n &-1.094,-1.099,-1.104,-1.108,-1.113,-1.117,-1.122,-1.127,-1.131,\n &-1.136,-1.140,-1.145,-1.149,-1.154,-1.158,-1.163,-1.167,-1.172,\n &-1.176,-1.180,-1.185,-1.189,-1.194,-1.198,-1.202,-1.207,-1.211,\n &-1.215,-1.220,-1.224,-1.228,-1.232,-1.237,-1.241,-1.245,-1.249,\n &-1.254,-1.258,-1.262,-1.266,-1.270,-1.275,-1.279,-1.283,-1.287,\n &-1.291,-1.295,-1.299,-1.304,-1.308,-1.312,-1.316,-1.320,-1.324,\n &-1.328,-1.332,-1.336,-1.340,-1.344,-1.348,-1.352,-1.356,-1.360,\n &-1.364,-1.368,-1.372,-1.376,-1.380,-1.384,-1.388,-1.392,-1.396,\n &-1.400,-1.404,-1.408,-1.412,-1.415,-1.419,-1.423,-1.427,-1.431,\n &-1.435,-1.439,-1.443,-1.446,-1.450,-1.454,-1.458,-1.462,-1.466,\n &-1.469,-1.473,-1.477,-1.481,-1.485,-1.488,-1.492,-1.496,-1.500,\n &-1.504,-1.507,-1.511\n & /\nC\nC *** (NH4)2SO4\nC\n DATA BNC04M/\n &-0.098,-0.214,-0.273,-0.315,-0.347,-0.375,-0.399,-0.419,-0.438,\n &-0.455,-0.470,-0.485,-0.498,-0.511,-0.522,-0.533,-0.544,-0.554,\n &-0.563,-0.572,-0.581,-0.590,-0.598,-0.605,-0.613,-0.620,-0.627,\n &-0.634,-0.641,-0.647,-0.653,-0.660,-0.666,-0.671,-0.677,-0.683,\n &-0.688,-0.693,-0.698,-0.703,-0.708,-0.713,-0.718,-0.723,-0.727,\n &-0.732,-0.736,-0.741,-0.745,-0.749,-0.753,-0.757,-0.762,-0.765,\n &-0.769,-0.773,-0.777,-0.781,-0.784,-0.788,-0.792,-0.795,-0.799,\n &-0.802,-0.806,-0.809,-0.812,-0.816,-0.819,-0.822,-0.825,-0.829,\n &-0.832,-0.835,-0.838,-0.841,-0.844,-0.847,-0.850,-0.853,-0.856,\n &-0.859,-0.862,-0.865,-0.867,-0.870,-0.873,-0.876,-0.879,-0.881,\n &-0.884,-0.887,-0.890,-0.892,-0.895,-0.898,-0.900,-0.903,-0.905,\n &-0.908,-0.911,-0.913,-0.916,-0.918,-0.921,-0.923,-0.926,-0.928,\n &-0.931,-0.933,-0.936,-0.938,-0.940,-0.943,-0.945,-0.948,-0.950,\n &-0.952,-0.955,-0.957,-0.959,-0.962,-0.964,-0.966,-0.969,-0.971,\n &-0.973,-0.975,-0.978,-0.980,-0.982,-0.984,-0.986,-0.989,-0.991,\n &-0.993,-0.995,-0.997,-0.999,-1.002,-1.004,-1.006,-1.008,-1.010,\n &-1.012,-1.014,-1.016,-1.018,-1.020,-1.022,-1.024,-1.026,-1.028,\n &-1.030,-1.032,-1.034,-1.036,-1.038,-1.040,-1.042,-1.044,-1.046,\n &-1.048,-1.050,-1.052,-1.054,-1.056,-1.058,-1.060,-1.062,-1.064,\n &-1.066,-1.067,-1.069,-1.071,-1.073,-1.075,-1.077,-1.079,-1.080,\n &-1.082,-1.084,-1.086,-1.088,-1.090,-1.091,-1.093,-1.095,-1.097,\n &-1.099,-1.100,-1.102,-1.104,-1.106,-1.107,-1.109,-1.111,-1.113,\n &-1.114,-1.116,-1.118,-1.120,-1.121,-1.123,-1.125,-1.127,-1.128,\n &-1.130,-1.132,-1.133,-1.135,-1.137,-1.138,-1.140,-1.142,-1.143,\n &-1.145,-1.147,-1.148,-1.150,-1.152,-1.153,-1.155,-1.157,-1.158,\n &-1.160,-1.162,-1.163,-1.165,-1.166,-1.168,-1.170,-1.171,-1.173,\n &-1.174,-1.176,-1.178,-1.179,-1.181,-1.182,-1.184,-1.185,-1.187,\n &-1.189,-1.190,-1.192,-1.193,-1.195,-1.196,-1.198,-1.199,-1.201,\n &-1.203,-1.204,-1.206,-1.207,-1.209,-1.210,-1.212,-1.213,-1.215,\n &-1.216,-1.218,-1.219,-1.221,-1.222,-1.224,-1.225,-1.227,-1.228,\n &-1.230,-1.231,-1.233,-1.234,-1.236,-1.237,-1.238,-1.240,-1.241,\n &-1.243,-1.244,-1.246,-1.247,-1.249,-1.250,-1.252,-1.253,-1.254,\n &-1.256,-1.257,-1.259,-1.260,-1.262,-1.263,-1.264,-1.266,-1.267,\n &-1.269,-1.270,-1.271,-1.273,-1.274,-1.276,-1.277,-1.278,-1.280,\n &-1.281,-1.283,-1.284,-1.285,-1.287,-1.288,-1.290,-1.291,-1.292,\n &-1.294,-1.295,-1.296,-1.298,-1.299,-1.301,-1.302,-1.303,-1.305,\n &-1.306,-1.307,-1.309,-1.310,-1.311,-1.313,-1.314,-1.315,-1.317,\n &-1.318,-1.319,-1.321,-1.322,-1.323,-1.325,-1.326,-1.327,-1.329,\n &-1.330,-1.331,-1.333,-1.334,-1.335,-1.337,-1.338,-1.339,-1.341,\n &-1.342,-1.343,-1.344,-1.346,-1.347,-1.348,-1.350,-1.351,-1.352,\n &-1.354,-1.355,-1.356,-1.357,-1.359,-1.360,-1.361,-1.363,-1.364,\n &-1.365,-1.366,-1.368,-1.369,-1.370,-1.371,-1.373,-1.374,-1.375,\n &-1.376,-1.378,-1.379,-1.380,-1.381,-1.383,-1.384,-1.385,-1.387,\n &-1.388,-1.389,-1.390,-1.391,-1.393,-1.394,-1.395,-1.396,-1.398,\n &-1.399,-1.400,-1.401,-1.403,-1.416,-1.428,-1.440,-1.452,-1.463,\n &-1.475,-1.487,-1.498,-1.509,-1.520,-1.532,-1.543,-1.554,-1.564,\n &-1.575,-1.586,-1.596,-1.607,-1.617,-1.628,-1.638,-1.648,-1.659,\n &-1.669,-1.679,-1.689,-1.699,-1.709,-1.719,-1.729,-1.738,-1.748,\n &-1.758,-1.767,-1.777,-1.786,-1.796,-1.805,-1.815,-1.824,-1.833,\n &-1.843,-1.852,-1.861,-1.870,-1.879,-1.888,-1.897,-1.906,-1.915,\n &-1.924,-1.933,-1.942,-1.951,-1.960,-1.969,-1.977,-1.986,-1.995,\n &-2.004,-2.012,-2.021,-2.029,-2.038,-2.047,-2.055,-2.064,-2.072,\n &-2.081,-2.089,-2.097,-2.106,-2.114,-2.123,-2.131,-2.139,-2.147,\n &-2.156,-2.164,-2.172,-2.180,-2.189,-2.197,-2.205,-2.213,-2.221,\n &-2.229,-2.237,-2.245,-2.253,-2.261,-2.269,-2.277,-2.285,-2.293,\n &-2.301,-2.309,-2.317,-2.325,-2.333,-2.341,-2.349,-2.356,-2.364,\n &-2.372,-2.380,-2.388,-2.395,-2.403,-2.411,-2.419,-2.426,-2.434,\n &-2.442,-2.449,-2.457,-2.465,-2.472,-2.480,-2.488,-2.495,-2.503,\n &-2.510,-2.518,-2.525,-2.533,-2.541,-2.548,-2.556,-2.563,-2.571,\n &-2.578,-2.586,-2.593,-2.600,-2.608,-2.615,-2.623,-2.630,-2.638,\n &-2.645,-2.652,-2.660,-2.667,-2.674,-2.682,-2.689,-2.696,-2.704,\n &-2.711,-2.718,-2.726,-2.733,-2.740,-2.747,-2.755,-2.762,-2.769,\n &-2.776,-2.784,-2.791\n & /\nC\nC *** NH4NO3\nC\n DATA BNC05M/\n &-0.050,-0.111,-0.143,-0.166,-0.185,-0.202,-0.216,-0.229,-0.240,\n &-0.251,-0.261,-0.271,-0.279,-0.288,-0.296,-0.304,-0.311,-0.318,\n &-0.325,-0.331,-0.338,-0.344,-0.350,-0.356,-0.361,-0.367,-0.372,\n &-0.378,-0.383,-0.388,-0.393,-0.398,-0.402,-0.407,-0.412,-0.416,\n &-0.420,-0.425,-0.429,-0.433,-0.437,-0.441,-0.445,-0.449,-0.453,\n &-0.457,-0.460,-0.464,-0.468,-0.471,-0.475,-0.478,-0.482,-0.485,\n &-0.488,-0.491,-0.495,-0.498,-0.501,-0.504,-0.507,-0.510,-0.513,\n &-0.516,-0.519,-0.522,-0.525,-0.528,-0.531,-0.534,-0.537,-0.539,\n &-0.542,-0.545,-0.548,-0.550,-0.553,-0.556,-0.558,-0.561,-0.564,\n &-0.566,-0.569,-0.572,-0.574,-0.577,-0.579,-0.582,-0.584,-0.587,\n &-0.589,-0.592,-0.594,-0.597,-0.599,-0.602,-0.604,-0.607,-0.609,\n &-0.612,-0.614,-0.617,-0.619,-0.621,-0.624,-0.626,-0.629,-0.631,\n &-0.633,-0.636,-0.638,-0.640,-0.643,-0.645,-0.647,-0.650,-0.652,\n &-0.654,-0.656,-0.659,-0.661,-0.663,-0.665,-0.668,-0.670,-0.672,\n &-0.674,-0.677,-0.679,-0.681,-0.683,-0.685,-0.687,-0.690,-0.692,\n &-0.694,-0.696,-0.698,-0.700,-0.702,-0.704,-0.706,-0.709,-0.711,\n &-0.713,-0.715,-0.717,-0.719,-0.721,-0.723,-0.725,-0.727,-0.729,\n &-0.731,-0.733,-0.735,-0.737,-0.739,-0.741,-0.742,-0.744,-0.746,\n &-0.748,-0.750,-0.752,-0.754,-0.756,-0.758,-0.760,-0.761,-0.763,\n &-0.765,-0.767,-0.769,-0.771,-0.772,-0.774,-0.776,-0.778,-0.780,\n &-0.782,-0.783,-0.785,-0.787,-0.789,-0.790,-0.792,-0.794,-0.796,\n &-0.797,-0.799,-0.801,-0.803,-0.804,-0.806,-0.808,-0.809,-0.811,\n &-0.813,-0.814,-0.816,-0.818,-0.820,-0.821,-0.823,-0.824,-0.826,\n &-0.828,-0.829,-0.831,-0.833,-0.834,-0.836,-0.838,-0.839,-0.841,\n &-0.842,-0.844,-0.846,-0.847,-0.849,-0.850,-0.852,-0.853,-0.855,\n &-0.857,-0.858,-0.860,-0.861,-0.863,-0.864,-0.866,-0.867,-0.869,\n &-0.870,-0.872,-0.873,-0.875,-0.876,-0.878,-0.879,-0.881,-0.882,\n &-0.884,-0.885,-0.887,-0.888,-0.890,-0.891,-0.893,-0.894,-0.896,\n &-0.897,-0.898,-0.900,-0.901,-0.903,-0.904,-0.906,-0.907,-0.908,\n &-0.910,-0.911,-0.913,-0.914,-0.915,-0.917,-0.918,-0.920,-0.921,\n &-0.922,-0.924,-0.925,-0.926,-0.928,-0.929,-0.931,-0.932,-0.933,\n &-0.935,-0.936,-0.937,-0.939,-0.940,-0.941,-0.943,-0.944,-0.945,\n &-0.947,-0.948,-0.949,-0.951,-0.952,-0.953,-0.954,-0.956,-0.957,\n &-0.958,-0.960,-0.961,-0.962,-0.963,-0.965,-0.966,-0.967,-0.969,\n &-0.970,-0.971,-0.972,-0.974,-0.975,-0.976,-0.977,-0.979,-0.980,\n &-0.981,-0.982,-0.984,-0.985,-0.986,-0.987,-0.988,-0.990,-0.991,\n &-0.992,-0.993,-0.995,-0.996,-0.997,-0.998,-0.999,-1.001,-1.002,\n &-1.003,-1.004,-1.005,-1.007,-1.008,-1.009,-1.010,-1.011,-1.012,\n &-1.014,-1.015,-1.016,-1.017,-1.018,-1.019,-1.021,-1.022,-1.023,\n &-1.024,-1.025,-1.026,-1.027,-1.029,-1.030,-1.031,-1.032,-1.033,\n &-1.034,-1.035,-1.037,-1.038,-1.039,-1.040,-1.041,-1.042,-1.043,\n &-1.044,-1.045,-1.047,-1.048,-1.049,-1.050,-1.051,-1.052,-1.053,\n &-1.054,-1.055,-1.056,-1.058,-1.059,-1.060,-1.061,-1.062,-1.063,\n &-1.064,-1.065,-1.066,-1.067,-1.068,-1.069,-1.070,-1.071,-1.072,\n &-1.074,-1.075,-1.076,-1.077,-1.088,-1.098,-1.108,-1.118,-1.128,\n &-1.137,-1.147,-1.156,-1.165,-1.174,-1.183,-1.192,-1.200,-1.209,\n &-1.217,-1.225,-1.233,-1.241,-1.249,-1.257,-1.265,-1.273,-1.280,\n &-1.288,-1.295,-1.303,-1.310,-1.317,-1.324,-1.331,-1.338,-1.345,\n &-1.352,-1.359,-1.365,-1.372,-1.379,-1.385,-1.392,-1.398,-1.404,\n &-1.411,-1.417,-1.423,-1.429,-1.435,-1.441,-1.447,-1.453,-1.459,\n &-1.465,-1.471,-1.477,-1.483,-1.488,-1.494,-1.500,-1.505,-1.511,\n &-1.516,-1.522,-1.527,-1.533,-1.538,-1.544,-1.549,-1.554,-1.560,\n &-1.565,-1.570,-1.575,-1.580,-1.586,-1.591,-1.596,-1.601,-1.606,\n &-1.611,-1.616,-1.621,-1.626,-1.631,-1.635,-1.640,-1.645,-1.650,\n &-1.655,-1.660,-1.664,-1.669,-1.674,-1.679,-1.683,-1.688,-1.693,\n &-1.697,-1.702,-1.706,-1.711,-1.716,-1.720,-1.725,-1.729,-1.734,\n &-1.738,-1.743,-1.747,-1.751,-1.756,-1.760,-1.765,-1.769,-1.773,\n &-1.778,-1.782,-1.786,-1.791,-1.795,-1.799,-1.803,-1.808,-1.812,\n &-1.816,-1.820,-1.825,-1.829,-1.833,-1.837,-1.841,-1.845,-1.850,\n &-1.854,-1.858,-1.862,-1.866,-1.870,-1.874,-1.878,-1.882,-1.886,\n &-1.890,-1.894,-1.898,-1.902,-1.906,-1.910,-1.914,-1.918,-1.922,\n &-1.926,-1.930,-1.934,-1.938,-1.942,-1.946,-1.950,-1.954,-1.958,\n &-1.961,-1.965,-1.969\n & /\nC\nC *** NH4Cl\nC\n DATA BNC06M/\n &-0.048,-0.103,-0.130,-0.148,-0.161,-0.173,-0.182,-0.190,-0.197,\n &-0.203,-0.208,-0.213,-0.217,-0.221,-0.225,-0.228,-0.231,-0.234,\n &-0.237,-0.239,-0.241,-0.243,-0.245,-0.247,-0.249,-0.251,-0.252,\n &-0.254,-0.255,-0.256,-0.257,-0.259,-0.260,-0.261,-0.262,-0.263,\n &-0.263,-0.264,-0.265,-0.266,-0.267,-0.267,-0.268,-0.269,-0.269,\n &-0.270,-0.270,-0.271,-0.272,-0.272,-0.273,-0.273,-0.273,-0.274,\n &-0.274,-0.275,-0.275,-0.275,-0.276,-0.276,-0.277,-0.277,-0.277,\n &-0.277,-0.278,-0.278,-0.278,-0.279,-0.279,-0.279,-0.279,-0.279,\n &-0.280,-0.280,-0.280,-0.280,-0.280,-0.280,-0.280,-0.281,-0.281,\n &-0.281,-0.281,-0.281,-0.281,-0.281,-0.281,-0.281,-0.281,-0.281,\n &-0.281,-0.281,-0.281,-0.281,-0.281,-0.281,-0.281,-0.281,-0.281,\n &-0.281,-0.281,-0.280,-0.280,-0.280,-0.280,-0.280,-0.280,-0.280,\n &-0.279,-0.279,-0.279,-0.279,-0.279,-0.279,-0.278,-0.278,-0.278,\n &-0.278,-0.278,-0.277,-0.277,-0.277,-0.277,-0.277,-0.276,-0.276,\n &-0.276,-0.276,-0.275,-0.275,-0.275,-0.275,-0.274,-0.274,-0.274,\n &-0.274,-0.273,-0.273,-0.273,-0.273,-0.272,-0.272,-0.272,-0.272,\n &-0.271,-0.271,-0.271,-0.271,-0.270,-0.270,-0.270,-0.270,-0.269,\n &-0.269,-0.269,-0.269,-0.268,-0.268,-0.268,-0.267,-0.267,-0.267,\n &-0.267,-0.266,-0.266,-0.266,-0.266,-0.265,-0.265,-0.265,-0.264,\n &-0.264,-0.264,-0.264,-0.263,-0.263,-0.263,-0.263,-0.262,-0.262,\n &-0.262,-0.261,-0.261,-0.261,-0.261,-0.260,-0.260,-0.260,-0.259,\n &-0.259,-0.259,-0.259,-0.258,-0.258,-0.258,-0.258,-0.257,-0.257,\n &-0.257,-0.256,-0.256,-0.256,-0.256,-0.255,-0.255,-0.255,-0.255,\n &-0.254,-0.254,-0.254,-0.253,-0.253,-0.253,-0.253,-0.252,-0.252,\n &-0.252,-0.252,-0.251,-0.251,-0.251,-0.250,-0.250,-0.250,-0.250,\n &-0.249,-0.249,-0.249,-0.249,-0.248,-0.248,-0.248,-0.247,-0.247,\n &-0.247,-0.247,-0.246,-0.246,-0.246,-0.246,-0.245,-0.245,-0.245,\n &-0.245,-0.244,-0.244,-0.244,-0.244,-0.243,-0.243,-0.243,-0.243,\n &-0.242,-0.242,-0.242,-0.241,-0.241,-0.241,-0.241,-0.240,-0.240,\n &-0.240,-0.240,-0.239,-0.239,-0.239,-0.239,-0.238,-0.238,-0.238,\n &-0.238,-0.237,-0.237,-0.237,-0.237,-0.236,-0.236,-0.236,-0.236,\n &-0.236,-0.235,-0.235,-0.235,-0.235,-0.234,-0.234,-0.234,-0.234,\n &-0.233,-0.233,-0.233,-0.233,-0.232,-0.232,-0.232,-0.232,-0.231,\n &-0.231,-0.231,-0.231,-0.231,-0.230,-0.230,-0.230,-0.230,-0.229,\n &-0.229,-0.229,-0.229,-0.228,-0.228,-0.228,-0.228,-0.228,-0.227,\n &-0.227,-0.227,-0.227,-0.226,-0.226,-0.226,-0.226,-0.226,-0.225,\n &-0.225,-0.225,-0.225,-0.224,-0.224,-0.224,-0.224,-0.224,-0.223,\n &-0.223,-0.223,-0.223,-0.223,-0.222,-0.222,-0.222,-0.222,-0.221,\n &-0.221,-0.221,-0.221,-0.221,-0.220,-0.220,-0.220,-0.220,-0.220,\n &-0.219,-0.219,-0.219,-0.219,-0.219,-0.218,-0.218,-0.218,-0.218,\n &-0.218,-0.217,-0.217,-0.217,-0.217,-0.217,-0.216,-0.216,-0.216,\n &-0.216,-0.216,-0.215,-0.215,-0.215,-0.215,-0.215,-0.215,-0.214,\n &-0.214,-0.214,-0.214,-0.214,-0.213,-0.213,-0.213,-0.213,-0.213,\n &-0.212,-0.212,-0.212,-0.212,-0.212,-0.212,-0.211,-0.211,-0.211,\n &-0.211,-0.211,-0.210,-0.210,-0.208,-0.207,-0.205,-0.203,-0.202,\n &-0.200,-0.199,-0.198,-0.196,-0.195,-0.194,-0.192,-0.191,-0.190,\n &-0.189,-0.188,-0.187,-0.186,-0.185,-0.184,-0.183,-0.182,-0.182,\n &-0.181,-0.180,-0.179,-0.179,-0.178,-0.178,-0.177,-0.176,-0.176,\n &-0.176,-0.175,-0.175,-0.174,-0.174,-0.174,-0.173,-0.173,-0.173,\n &-0.173,-0.172,-0.172,-0.172,-0.172,-0.172,-0.172,-0.172,-0.172,\n &-0.172,-0.172,-0.172,-0.172,-0.172,-0.172,-0.172,-0.172,-0.173,\n &-0.173,-0.173,-0.173,-0.173,-0.174,-0.174,-0.174,-0.175,-0.175,\n &-0.175,-0.176,-0.176,-0.176,-0.177,-0.177,-0.178,-0.178,-0.179,\n &-0.179,-0.180,-0.180,-0.181,-0.181,-0.182,-0.183,-0.183,-0.184,\n &-0.184,-0.185,-0.186,-0.186,-0.187,-0.188,-0.188,-0.189,-0.190,\n &-0.191,-0.191,-0.192,-0.193,-0.194,-0.194,-0.195,-0.196,-0.197,\n &-0.198,-0.199,-0.200,-0.200,-0.201,-0.202,-0.203,-0.204,-0.205,\n &-0.206,-0.207,-0.208,-0.209,-0.210,-0.211,-0.212,-0.213,-0.214,\n &-0.215,-0.216,-0.217,-0.218,-0.219,-0.220,-0.221,-0.222,-0.223,\n &-0.224,-0.226,-0.227,-0.228,-0.229,-0.230,-0.231,-0.232,-0.234,\n &-0.235,-0.236,-0.237,-0.238,-0.239,-0.241,-0.242,-0.243,-0.244,\n &-0.246,-0.247,-0.248,-0.249,-0.251,-0.252,-0.253,-0.254,-0.256,\n &-0.257,-0.258,-0.260\n & /\nC\nC *** (2H,SO4)\nC\n DATA BNC07M/\n &-0.098,-0.213,-0.271,-0.312,-0.344,-0.370,-0.393,-0.413,-0.431,\n &-0.448,-0.462,-0.476,-0.489,-0.500,-0.511,-0.522,-0.532,-0.541,\n &-0.550,-0.558,-0.567,-0.574,-0.582,-0.589,-0.596,-0.603,-0.609,\n &-0.615,-0.621,-0.627,-0.633,-0.638,-0.644,-0.649,-0.654,-0.659,\n &-0.664,-0.669,-0.674,-0.678,-0.683,-0.687,-0.691,-0.695,-0.700,\n &-0.704,-0.708,-0.711,-0.715,-0.719,-0.723,-0.726,-0.730,-0.733,\n &-0.737,-0.740,-0.744,-0.747,-0.750,-0.753,-0.757,-0.760,-0.763,\n &-0.766,-0.769,-0.772,-0.775,-0.778,-0.781,-0.784,-0.786,-0.789,\n &-0.792,-0.795,-0.797,-0.800,-0.803,-0.805,-0.808,-0.811,-0.813,\n &-0.816,-0.818,-0.821,-0.823,-0.825,-0.828,-0.830,-0.833,-0.835,\n &-0.837,-0.840,-0.842,-0.844,-0.847,-0.849,-0.851,-0.853,-0.856,\n &-0.858,-0.860,-0.862,-0.864,-0.867,-0.869,-0.871,-0.873,-0.875,\n &-0.877,-0.879,-0.881,-0.883,-0.885,-0.887,-0.889,-0.891,-0.893,\n &-0.895,-0.897,-0.899,-0.901,-0.903,-0.905,-0.907,-0.909,-0.911,\n &-0.913,-0.915,-0.916,-0.918,-0.920,-0.922,-0.924,-0.926,-0.928,\n &-0.929,-0.931,-0.933,-0.935,-0.936,-0.938,-0.940,-0.942,-0.944,\n &-0.945,-0.947,-0.949,-0.950,-0.952,-0.954,-0.956,-0.957,-0.959,\n &-0.961,-0.962,-0.964,-0.966,-0.967,-0.969,-0.971,-0.972,-0.974,\n &-0.975,-0.977,-0.979,-0.980,-0.982,-0.983,-0.985,-0.987,-0.988,\n &-0.990,-0.991,-0.993,-0.994,-0.996,-0.998,-0.999,-1.001,-1.002,\n &-1.004,-1.005,-1.007,-1.008,-1.010,-1.011,-1.013,-1.014,-1.016,\n &-1.017,-1.019,-1.020,-1.022,-1.023,-1.024,-1.026,-1.027,-1.029,\n &-1.030,-1.032,-1.033,-1.035,-1.036,-1.037,-1.039,-1.040,-1.042,\n &-1.043,-1.045,-1.046,-1.047,-1.049,-1.050,-1.052,-1.053,-1.054,\n &-1.056,-1.057,-1.058,-1.060,-1.061,-1.063,-1.064,-1.065,-1.067,\n &-1.068,-1.069,-1.071,-1.072,-1.073,-1.075,-1.076,-1.077,-1.079,\n &-1.080,-1.081,-1.083,-1.084,-1.085,-1.087,-1.088,-1.089,-1.090,\n &-1.092,-1.093,-1.094,-1.096,-1.097,-1.098,-1.100,-1.101,-1.102,\n &-1.103,-1.105,-1.106,-1.107,-1.108,-1.110,-1.111,-1.112,-1.113,\n &-1.115,-1.116,-1.117,-1.118,-1.120,-1.121,-1.122,-1.123,-1.125,\n &-1.126,-1.127,-1.128,-1.130,-1.131,-1.132,-1.133,-1.134,-1.136,\n &-1.137,-1.138,-1.139,-1.141,-1.142,-1.143,-1.144,-1.145,-1.147,\n &-1.148,-1.149,-1.150,-1.151,-1.153,-1.154,-1.155,-1.156,-1.157,\n &-1.158,-1.160,-1.161,-1.162,-1.163,-1.164,-1.165,-1.167,-1.168,\n &-1.169,-1.170,-1.171,-1.172,-1.174,-1.175,-1.176,-1.177,-1.178,\n &-1.179,-1.181,-1.182,-1.183,-1.184,-1.185,-1.186,-1.187,-1.189,\n &-1.190,-1.191,-1.192,-1.193,-1.194,-1.195,-1.196,-1.198,-1.199,\n &-1.200,-1.201,-1.202,-1.203,-1.204,-1.205,-1.207,-1.208,-1.209,\n &-1.210,-1.211,-1.212,-1.213,-1.214,-1.215,-1.216,-1.218,-1.219,\n &-1.220,-1.221,-1.222,-1.223,-1.224,-1.225,-1.226,-1.227,-1.228,\n &-1.230,-1.231,-1.232,-1.233,-1.234,-1.235,-1.236,-1.237,-1.238,\n &-1.239,-1.240,-1.241,-1.242,-1.244,-1.245,-1.246,-1.247,-1.248,\n &-1.249,-1.250,-1.251,-1.252,-1.253,-1.254,-1.255,-1.256,-1.257,\n &-1.258,-1.259,-1.261,-1.262,-1.263,-1.264,-1.265,-1.266,-1.267,\n &-1.268,-1.269,-1.270,-1.271,-1.282,-1.292,-1.303,-1.313,-1.323,\n &-1.332,-1.342,-1.352,-1.362,-1.371,-1.381,-1.390,-1.400,-1.409,\n &-1.418,-1.427,-1.437,-1.446,-1.455,-1.464,-1.473,-1.482,-1.491,\n &-1.499,-1.508,-1.517,-1.526,-1.534,-1.543,-1.552,-1.560,-1.569,\n &-1.577,-1.586,-1.594,-1.602,-1.611,-1.619,-1.627,-1.636,-1.644,\n &-1.652,-1.660,-1.668,-1.677,-1.685,-1.693,-1.701,-1.709,-1.717,\n &-1.725,-1.733,-1.741,-1.749,-1.757,-1.764,-1.772,-1.780,-1.788,\n &-1.796,-1.804,-1.811,-1.819,-1.827,-1.835,-1.842,-1.850,-1.858,\n &-1.865,-1.873,-1.880,-1.888,-1.896,-1.903,-1.911,-1.918,-1.926,\n &-1.933,-1.941,-1.948,-1.956,-1.963,-1.971,-1.978,-1.986,-1.993,\n &-2.000,-2.008,-2.015,-2.022,-2.030,-2.037,-2.044,-2.052,-2.059,\n &-2.066,-2.074,-2.081,-2.088,-2.095,-2.103,-2.110,-2.117,-2.124,\n &-2.131,-2.139,-2.146,-2.153,-2.160,-2.167,-2.174,-2.181,-2.189,\n &-2.196,-2.203,-2.210,-2.217,-2.224,-2.231,-2.238,-2.245,-2.252,\n &-2.259,-2.266,-2.273,-2.280,-2.287,-2.294,-2.301,-2.308,-2.315,\n &-2.322,-2.329,-2.336,-2.343,-2.350,-2.357,-2.364,-2.371,-2.378,\n &-2.385,-2.391,-2.398,-2.405,-2.412,-2.419,-2.426,-2.433,-2.439,\n &-2.446,-2.453,-2.460,-2.467,-2.474,-2.480,-2.487,-2.494,-2.501,\n &-2.508,-2.514,-2.521\n & /\nC\nC *** (H,HSO4)\nC\n DATA BNC08M/\n &-0.046,-0.090,-0.108,-0.118,-0.124,-0.128,-0.130,-0.132,-0.132,\n &-0.131,-0.130,-0.128,-0.125,-0.122,-0.119,-0.116,-0.112,-0.108,\n &-0.103,-0.098,-0.093,-0.088,-0.083,-0.077,-0.071,-0.065,-0.059,\n &-0.053,-0.046,-0.040,-0.033,-0.026,-0.019,-0.012,-0.004, 0.003,\n & 0.011, 0.018, 0.026, 0.034, 0.042, 0.050, 0.058, 0.066, 0.075,\n & 0.083, 0.091, 0.100, 0.109, 0.117, 0.126, 0.135, 0.144, 0.153,\n & 0.162, 0.171, 0.180, 0.189, 0.198, 0.207, 0.216, 0.226, 0.235,\n & 0.244, 0.254, 0.263, 0.273, 0.282, 0.292, 0.302, 0.311, 0.321,\n & 0.331, 0.341, 0.351, 0.361, 0.371, 0.381, 0.391, 0.401, 0.411,\n & 0.421, 0.432, 0.442, 0.452, 0.463, 0.473, 0.484, 0.495, 0.505,\n & 0.516, 0.527, 0.538, 0.549, 0.560, 0.571, 0.582, 0.593, 0.604,\n & 0.615, 0.626, 0.638, 0.649, 0.660, 0.672, 0.683, 0.694, 0.706,\n & 0.717, 0.729, 0.740, 0.752, 0.763, 0.775, 0.787, 0.798, 0.810,\n & 0.821, 0.833, 0.845, 0.856, 0.868, 0.879, 0.891, 0.903, 0.914,\n & 0.926, 0.937, 0.949, 0.961, 0.972, 0.984, 0.995, 1.007, 1.018,\n & 1.030, 1.041, 1.053, 1.064, 1.076, 1.087, 1.099, 1.110, 1.121,\n & 1.133, 1.144, 1.155, 1.167, 1.178, 1.189, 1.200, 1.212, 1.223,\n & 1.234, 1.245, 1.256, 1.267, 1.278, 1.289, 1.300, 1.311, 1.322,\n & 1.333, 1.344, 1.355, 1.366, 1.377, 1.388, 1.399, 1.409, 1.420,\n & 1.431, 1.442, 1.452, 1.463, 1.474, 1.485, 1.495, 1.506, 1.516,\n & 1.527, 1.537, 1.548, 1.558, 1.569, 1.579, 1.590, 1.600, 1.611,\n & 1.621, 1.631, 1.642, 1.652, 1.662, 1.672, 1.683, 1.693, 1.703,\n & 1.713, 1.723, 1.733, 1.743, 1.753, 1.763, 1.774, 1.784, 1.793,\n & 1.803, 1.813, 1.823, 1.833, 1.843, 1.853, 1.863, 1.872, 1.882,\n & 1.892, 1.902, 1.911, 1.921, 1.931, 1.940, 1.950, 1.960, 1.969,\n & 1.979, 1.988, 1.998, 2.007, 2.017, 2.026, 2.036, 2.045, 2.055,\n & 2.064, 2.073, 2.083, 2.092, 2.101, 2.111, 2.120, 2.129, 2.138,\n & 2.147, 2.157, 2.166, 2.175, 2.184, 2.193, 2.202, 2.211, 2.220,\n & 2.229, 2.238, 2.247, 2.256, 2.265, 2.274, 2.283, 2.292, 2.301,\n & 2.310, 2.318, 2.327, 2.336, 2.345, 2.354, 2.362, 2.371, 2.380,\n & 2.388, 2.397, 2.406, 2.414, 2.423, 2.432, 2.440, 2.449, 2.457,\n & 2.466, 2.474, 2.483, 2.491, 2.500, 2.508, 2.517, 2.525, 2.533,\n & 2.542, 2.550, 2.558, 2.567, 2.575, 2.583, 2.591, 2.600, 2.608,\n & 2.616, 2.624, 2.633, 2.641, 2.649, 2.657, 2.665, 2.673, 2.681,\n & 2.689, 2.697, 2.705, 2.713, 2.721, 2.729, 2.737, 2.745, 2.753,\n & 2.761, 2.769, 2.777, 2.785, 2.793, 2.801, 2.809, 2.816, 2.824,\n & 2.832, 2.840, 2.847, 2.855, 2.863, 2.871, 2.878, 2.886, 2.894,\n & 2.901, 2.909, 2.917, 2.924, 2.932, 2.939, 2.947, 2.955, 2.962,\n & 2.970, 2.977, 2.985, 2.992, 3.000, 3.007, 3.014, 3.022, 3.029,\n & 3.037, 3.044, 3.051, 3.059, 3.066, 3.074, 3.081, 3.088, 3.095,\n & 3.103, 3.110, 3.117, 3.125, 3.132, 3.139, 3.146, 3.153, 3.161,\n & 3.168, 3.175, 3.182, 3.189, 3.196, 3.203, 3.210, 3.217, 3.225,\n & 3.232, 3.239, 3.246, 3.253, 3.260, 3.267, 3.274, 3.281, 3.288,\n & 3.294, 3.301, 3.308, 3.315, 3.322, 3.329, 3.336, 3.343, 3.350,\n & 3.356, 3.363, 3.370, 3.377, 3.450, 3.516, 3.581, 3.645, 3.708,\n & 3.770, 3.831, 3.891, 3.950, 4.008, 4.065, 4.122, 4.178, 4.233,\n & 4.287, 4.340, 4.393, 4.445, 4.496, 4.547, 4.597, 4.646, 4.695,\n & 4.743, 4.790, 4.837, 4.884, 4.929, 4.974, 5.019, 5.063, 5.107,\n & 5.150, 5.193, 5.235, 5.277, 5.318, 5.359, 5.399, 5.439, 5.478,\n & 5.517, 5.556, 5.594, 5.632, 5.670, 5.707, 5.743, 5.780, 5.816,\n & 5.852, 5.887, 5.922, 5.956, 5.991, 6.025, 6.058, 6.092, 6.125,\n & 6.158, 6.190, 6.222, 6.254, 6.286, 6.317, 6.348, 6.379, 6.410,\n & 6.440, 6.470, 6.500, 6.529, 6.559, 6.588, 6.616, 6.645, 6.673,\n & 6.701, 6.729, 6.757, 6.784, 6.812, 6.839, 6.865, 6.892, 6.919,\n & 6.945, 6.971, 6.997, 7.022, 7.048, 7.073, 7.098, 7.123, 7.148,\n & 7.172, 7.196, 7.221, 7.245, 7.269, 7.292, 7.316, 7.339, 7.362,\n & 7.385, 7.408, 7.431, 7.454, 7.476, 7.498, 7.520, 7.542, 7.564,\n & 7.586, 7.607, 7.629, 7.650, 7.671, 7.692, 7.713, 7.734, 7.755,\n & 7.775, 7.795, 7.816, 7.836, 7.856, 7.876, 7.895, 7.915, 7.935,\n & 7.954, 7.973, 7.992, 8.012, 8.030, 8.049, 8.068, 8.087, 8.105,\n & 8.124, 8.142, 8.160, 8.178, 8.196, 8.214, 8.232, 8.250, 8.267,\n & 8.285, 8.302, 8.319, 8.337, 8.354, 8.371, 8.388, 8.404, 8.421,\n & 8.438, 8.454, 8.471\n & /\nC\nC *** NH4HSO4\nC\n DATA BNC09M/\n &-0.048,-0.102,-0.128,-0.146,-0.159,-0.170,-0.179,-0.187,-0.194,\n &-0.200,-0.205,-0.210,-0.214,-0.218,-0.221,-0.224,-0.227,-0.230,\n &-0.232,-0.234,-0.235,-0.237,-0.238,-0.239,-0.240,-0.241,-0.242,\n &-0.242,-0.243,-0.243,-0.243,-0.243,-0.243,-0.243,-0.242,-0.242,\n &-0.241,-0.241,-0.240,-0.239,-0.238,-0.237,-0.236,-0.235,-0.234,\n &-0.233,-0.231,-0.230,-0.228,-0.227,-0.225,-0.224,-0.222,-0.220,\n &-0.218,-0.216,-0.214,-0.212,-0.210,-0.208,-0.206,-0.204,-0.202,\n &-0.199,-0.197,-0.195,-0.192,-0.190,-0.188,-0.185,-0.183,-0.180,\n &-0.178,-0.175,-0.172,-0.170,-0.167,-0.164,-0.161,-0.159,-0.156,\n &-0.153,-0.150,-0.147,-0.144,-0.141,-0.138,-0.135,-0.132,-0.129,\n &-0.126,-0.123,-0.119,-0.116,-0.113,-0.110,-0.106,-0.103,-0.100,\n &-0.096,-0.093,-0.090,-0.086,-0.083,-0.080,-0.076,-0.073,-0.069,\n &-0.066,-0.062,-0.059,-0.055,-0.052,-0.048,-0.045,-0.041,-0.037,\n &-0.034,-0.030,-0.027,-0.023,-0.020,-0.016,-0.012,-0.009,-0.005,\n &-0.002, 0.002, 0.005, 0.009, 0.013, 0.016, 0.020, 0.023, 0.027,\n & 0.030, 0.034, 0.037, 0.041, 0.044, 0.048, 0.051, 0.055, 0.058,\n & 0.062, 0.065, 0.069, 0.072, 0.076, 0.079, 0.083, 0.086, 0.090,\n & 0.093, 0.097, 0.100, 0.103, 0.107, 0.110, 0.114, 0.117, 0.120,\n & 0.124, 0.127, 0.130, 0.134, 0.137, 0.140, 0.144, 0.147, 0.150,\n & 0.154, 0.157, 0.160, 0.164, 0.167, 0.170, 0.173, 0.177, 0.180,\n & 0.183, 0.186, 0.189, 0.193, 0.196, 0.199, 0.202, 0.205, 0.209,\n & 0.212, 0.215, 0.218, 0.221, 0.224, 0.227, 0.231, 0.234, 0.237,\n & 0.240, 0.243, 0.246, 0.249, 0.252, 0.255, 0.258, 0.261, 0.264,\n & 0.267, 0.270, 0.273, 0.276, 0.279, 0.282, 0.285, 0.288, 0.291,\n & 0.294, 0.297, 0.300, 0.303, 0.306, 0.309, 0.312, 0.315, 0.317,\n & 0.320, 0.323, 0.326, 0.329, 0.332, 0.335, 0.338, 0.340, 0.343,\n & 0.346, 0.349, 0.352, 0.354, 0.357, 0.360, 0.363, 0.366, 0.368,\n & 0.371, 0.374, 0.377, 0.379, 0.382, 0.385, 0.388, 0.390, 0.393,\n & 0.396, 0.398, 0.401, 0.404, 0.407, 0.409, 0.412, 0.415, 0.417,\n & 0.420, 0.422, 0.425, 0.428, 0.430, 0.433, 0.436, 0.438, 0.441,\n & 0.443, 0.446, 0.449, 0.451, 0.454, 0.456, 0.459, 0.461, 0.464,\n & 0.467, 0.469, 0.472, 0.474, 0.477, 0.479, 0.482, 0.484, 0.487,\n & 0.489, 0.492, 0.494, 0.497, 0.499, 0.502, 0.504, 0.507, 0.509,\n & 0.511, 0.514, 0.516, 0.519, 0.521, 0.524, 0.526, 0.528, 0.531,\n & 0.533, 0.536, 0.538, 0.540, 0.543, 0.545, 0.548, 0.550, 0.552,\n & 0.555, 0.557, 0.559, 0.562, 0.564, 0.566, 0.569, 0.571, 0.573,\n & 0.576, 0.578, 0.580, 0.583, 0.585, 0.587, 0.589, 0.592, 0.594,\n & 0.596, 0.599, 0.601, 0.603, 0.605, 0.608, 0.610, 0.612, 0.614,\n & 0.617, 0.619, 0.621, 0.623, 0.625, 0.628, 0.630, 0.632, 0.634,\n & 0.636, 0.639, 0.641, 0.643, 0.645, 0.647, 0.649, 0.652, 0.654,\n & 0.656, 0.658, 0.660, 0.662, 0.665, 0.667, 0.669, 0.671, 0.673,\n & 0.675, 0.677, 0.679, 0.681, 0.684, 0.686, 0.688, 0.690, 0.692,\n & 0.694, 0.696, 0.698, 0.700, 0.702, 0.704, 0.706, 0.708, 0.710,\n & 0.713, 0.715, 0.717, 0.719, 0.721, 0.723, 0.725, 0.727, 0.729,\n & 0.731, 0.733, 0.735, 0.737, 0.758, 0.778, 0.797, 0.815, 0.834,\n & 0.852, 0.870, 0.887, 0.905, 0.922, 0.938, 0.955, 0.971, 0.987,\n & 1.003, 1.018, 1.033, 1.048, 1.063, 1.078, 1.092, 1.106, 1.120,\n & 1.134, 1.148, 1.161, 1.174, 1.187, 1.200, 1.213, 1.225, 1.238,\n & 1.250, 1.262, 1.274, 1.286, 1.297, 1.309, 1.320, 1.331, 1.342,\n & 1.353, 1.364, 1.374, 1.385, 1.395, 1.406, 1.416, 1.426, 1.436,\n & 1.446, 1.455, 1.465, 1.475, 1.484, 1.493, 1.502, 1.512, 1.521,\n & 1.529, 1.538, 1.547, 1.556, 1.564, 1.572, 1.581, 1.589, 1.597,\n & 1.605, 1.613, 1.621, 1.629, 1.637, 1.645, 1.652, 1.660, 1.667,\n & 1.675, 1.682, 1.689, 1.696, 1.704, 1.711, 1.718, 1.725, 1.731,\n & 1.738, 1.745, 1.752, 1.758, 1.765, 1.771, 1.778, 1.784, 1.790,\n & 1.796, 1.803, 1.809, 1.815, 1.821, 1.827, 1.833, 1.839, 1.844,\n & 1.850, 1.856, 1.861, 1.867, 1.873, 1.878, 1.884, 1.889, 1.894,\n & 1.900, 1.905, 1.910, 1.915, 1.920, 1.926, 1.931, 1.936, 1.941,\n & 1.946, 1.950, 1.955, 1.960, 1.965, 1.970, 1.974, 1.979, 1.983,\n & 1.988, 1.993, 1.997, 2.001, 2.006, 2.010, 2.015, 2.019, 2.023,\n & 2.027, 2.032, 2.036, 2.040, 2.044, 2.048, 2.052, 2.056, 2.060,\n & 2.064, 2.068, 2.072, 2.076, 2.080, 2.083, 2.087, 2.091, 2.095,\n & 2.098, 2.102, 2.106\n & /\nC\nC *** (H,NO3)\nC\n DATA BNC10M/\n &-0.047,-0.098,-0.120,-0.135,-0.145,-0.153,-0.158,-0.163,-0.167,\n &-0.169,-0.172,-0.173,-0.175,-0.176,-0.176,-0.176,-0.176,-0.176,\n &-0.176,-0.175,-0.175,-0.174,-0.173,-0.172,-0.170,-0.169,-0.168,\n &-0.166,-0.165,-0.163,-0.162,-0.160,-0.159,-0.157,-0.155,-0.153,\n &-0.151,-0.149,-0.148,-0.146,-0.144,-0.142,-0.140,-0.138,-0.136,\n &-0.134,-0.132,-0.130,-0.128,-0.126,-0.124,-0.122,-0.120,-0.118,\n &-0.115,-0.113,-0.111,-0.109,-0.107,-0.105,-0.103,-0.101,-0.099,\n &-0.097,-0.095,-0.093,-0.090,-0.088,-0.086,-0.084,-0.082,-0.080,\n &-0.078,-0.075,-0.073,-0.071,-0.069,-0.067,-0.064,-0.062,-0.060,\n &-0.057,-0.055,-0.053,-0.051,-0.048,-0.046,-0.043,-0.041,-0.039,\n &-0.036,-0.034,-0.031,-0.029,-0.026,-0.024,-0.021,-0.019,-0.016,\n &-0.014,-0.011,-0.008,-0.006,-0.003, 0.000, 0.002, 0.005, 0.007,\n & 0.010, 0.013, 0.016, 0.018, 0.021, 0.024, 0.026, 0.029, 0.032,\n & 0.035, 0.037, 0.040, 0.043, 0.046, 0.048, 0.051, 0.054, 0.057,\n & 0.059, 0.062, 0.065, 0.068, 0.070, 0.073, 0.076, 0.079, 0.081,\n & 0.084, 0.087, 0.090, 0.092, 0.095, 0.098, 0.101, 0.103, 0.106,\n & 0.109, 0.112, 0.114, 0.117, 0.120, 0.123, 0.125, 0.128, 0.131,\n & 0.133, 0.136, 0.139, 0.142, 0.144, 0.147, 0.150, 0.152, 0.155,\n & 0.158, 0.160, 0.163, 0.166, 0.168, 0.171, 0.174, 0.176, 0.179,\n & 0.182, 0.184, 0.187, 0.190, 0.192, 0.195, 0.198, 0.200, 0.203,\n & 0.205, 0.208, 0.211, 0.213, 0.216, 0.218, 0.221, 0.224, 0.226,\n & 0.229, 0.231, 0.234, 0.236, 0.239, 0.242, 0.244, 0.247, 0.249,\n & 0.252, 0.254, 0.257, 0.259, 0.262, 0.264, 0.267, 0.269, 0.272,\n & 0.275, 0.277, 0.280, 0.282, 0.285, 0.287, 0.289, 0.292, 0.294,\n & 0.297, 0.299, 0.302, 0.304, 0.307, 0.309, 0.312, 0.314, 0.317,\n & 0.319, 0.321, 0.324, 0.326, 0.329, 0.331, 0.334, 0.336, 0.338,\n & 0.341, 0.343, 0.346, 0.348, 0.350, 0.353, 0.355, 0.357, 0.360,\n & 0.362, 0.364, 0.367, 0.369, 0.372, 0.374, 0.376, 0.379, 0.381,\n & 0.383, 0.386, 0.388, 0.390, 0.392, 0.395, 0.397, 0.399, 0.402,\n & 0.404, 0.406, 0.409, 0.411, 0.413, 0.415, 0.418, 0.420, 0.422,\n & 0.424, 0.427, 0.429, 0.431, 0.433, 0.436, 0.438, 0.440, 0.442,\n & 0.445, 0.447, 0.449, 0.451, 0.453, 0.456, 0.458, 0.460, 0.462,\n & 0.464, 0.467, 0.469, 0.471, 0.473, 0.475, 0.477, 0.480, 0.482,\n & 0.484, 0.486, 0.488, 0.490, 0.492, 0.495, 0.497, 0.499, 0.501,\n & 0.503, 0.505, 0.507, 0.509, 0.511, 0.514, 0.516, 0.518, 0.520,\n & 0.522, 0.524, 0.526, 0.528, 0.530, 0.532, 0.534, 0.536, 0.539,\n & 0.541, 0.543, 0.545, 0.547, 0.549, 0.551, 0.553, 0.555, 0.557,\n & 0.559, 0.561, 0.563, 0.565, 0.567, 0.569, 0.571, 0.573, 0.575,\n & 0.577, 0.579, 0.581, 0.583, 0.585, 0.587, 0.589, 0.591, 0.593,\n & 0.595, 0.597, 0.599, 0.601, 0.603, 0.604, 0.606, 0.608, 0.610,\n & 0.612, 0.614, 0.616, 0.618, 0.620, 0.622, 0.624, 0.626, 0.628,\n & 0.629, 0.631, 0.633, 0.635, 0.637, 0.639, 0.641, 0.643, 0.645,\n & 0.646, 0.648, 0.650, 0.652, 0.654, 0.656, 0.658, 0.659, 0.661,\n & 0.663, 0.665, 0.667, 0.669, 0.671, 0.672, 0.674, 0.676, 0.678,\n & 0.680, 0.681, 0.683, 0.685, 0.704, 0.722, 0.739, 0.756, 0.773,\n & 0.790, 0.806, 0.822, 0.838, 0.853, 0.869, 0.884, 0.899, 0.913,\n & 0.928, 0.942, 0.956, 0.970, 0.983, 0.996, 1.010, 1.023, 1.036,\n & 1.048, 1.061, 1.073, 1.085, 1.097, 1.109, 1.121, 1.132, 1.144,\n & 1.155, 1.166, 1.177, 1.188, 1.198, 1.209, 1.219, 1.230, 1.240,\n & 1.250, 1.260, 1.270, 1.279, 1.289, 1.298, 1.308, 1.317, 1.326,\n & 1.335, 1.344, 1.353, 1.362, 1.370, 1.379, 1.387, 1.396, 1.404,\n & 1.412, 1.420, 1.428, 1.436, 1.444, 1.451, 1.459, 1.467, 1.474,\n & 1.481, 1.489, 1.496, 1.503, 1.510, 1.517, 1.524, 1.531, 1.538,\n & 1.545, 1.551, 1.558, 1.565, 1.571, 1.578, 1.584, 1.590, 1.596,\n & 1.603, 1.609, 1.615, 1.621, 1.627, 1.632, 1.638, 1.644, 1.650,\n & 1.655, 1.661, 1.667, 1.672, 1.678, 1.683, 1.688, 1.694, 1.699,\n & 1.704, 1.709, 1.714, 1.719, 1.724, 1.729, 1.734, 1.739, 1.744,\n & 1.749, 1.753, 1.758, 1.763, 1.767, 1.772, 1.776, 1.781, 1.785,\n & 1.790, 1.794, 1.799, 1.803, 1.807, 1.811, 1.815, 1.820, 1.824,\n & 1.828, 1.832, 1.836, 1.840, 1.844, 1.848, 1.852, 1.855, 1.859,\n & 1.863, 1.867, 1.870, 1.874, 1.878, 1.881, 1.885, 1.888, 1.892,\n & 1.895, 1.899, 1.902, 1.906, 1.909, 1.913, 1.916, 1.919, 1.922,\n & 1.926, 1.929, 1.932\n & /\nC\nC *** (H,Cl)\nC\n DATA BNC11M/\n &-0.046,-0.091,-0.110,-0.120,-0.127,-0.131,-0.133,-0.134,-0.134,\n &-0.134,-0.132,-0.131,-0.128,-0.126,-0.123,-0.120,-0.116,-0.112,\n &-0.108,-0.104,-0.099,-0.095,-0.090,-0.085,-0.080,-0.075,-0.070,\n &-0.064,-0.059,-0.053,-0.047,-0.042,-0.036,-0.030,-0.024,-0.018,\n &-0.011,-0.005, 0.001, 0.007, 0.014, 0.020, 0.026, 0.033, 0.039,\n & 0.046, 0.052, 0.059, 0.065, 0.072, 0.079, 0.085, 0.092, 0.099,\n & 0.105, 0.112, 0.119, 0.126, 0.132, 0.139, 0.146, 0.153, 0.160,\n & 0.166, 0.173, 0.180, 0.187, 0.194, 0.201, 0.208, 0.215, 0.222,\n & 0.229, 0.236, 0.243, 0.250, 0.257, 0.264, 0.272, 0.279, 0.286,\n & 0.293, 0.301, 0.308, 0.316, 0.323, 0.330, 0.338, 0.346, 0.353,\n & 0.361, 0.368, 0.376, 0.384, 0.392, 0.399, 0.407, 0.415, 0.423,\n & 0.431, 0.439, 0.447, 0.455, 0.463, 0.471, 0.479, 0.487, 0.495,\n & 0.503, 0.512, 0.520, 0.528, 0.536, 0.544, 0.553, 0.561, 0.569,\n & 0.577, 0.586, 0.594, 0.602, 0.610, 0.619, 0.627, 0.635, 0.643,\n & 0.652, 0.660, 0.668, 0.676, 0.685, 0.693, 0.701, 0.709, 0.718,\n & 0.726, 0.734, 0.742, 0.750, 0.759, 0.767, 0.775, 0.783, 0.791,\n & 0.799, 0.807, 0.815, 0.823, 0.832, 0.840, 0.848, 0.856, 0.864,\n & 0.872, 0.880, 0.888, 0.896, 0.903, 0.911, 0.919, 0.927, 0.935,\n & 0.943, 0.951, 0.959, 0.966, 0.974, 0.982, 0.990, 0.998, 1.005,\n & 1.013, 1.021, 1.029, 1.036, 1.044, 1.052, 1.059, 1.067, 1.075,\n & 1.082, 1.090, 1.097, 1.105, 1.112, 1.120, 1.128, 1.135, 1.143,\n & 1.150, 1.157, 1.165, 1.172, 1.180, 1.187, 1.195, 1.202, 1.209,\n & 1.217, 1.224, 1.231, 1.239, 1.246, 1.253, 1.260, 1.268, 1.275,\n & 1.282, 1.289, 1.296, 1.303, 1.311, 1.318, 1.325, 1.332, 1.339,\n & 1.346, 1.353, 1.360, 1.367, 1.374, 1.381, 1.388, 1.395, 1.402,\n & 1.409, 1.416, 1.423, 1.430, 1.437, 1.444, 1.451, 1.457, 1.464,\n & 1.471, 1.478, 1.485, 1.491, 1.498, 1.505, 1.512, 1.518, 1.525,\n & 1.532, 1.538, 1.545, 1.552, 1.558, 1.565, 1.572, 1.578, 1.585,\n & 1.591, 1.598, 1.604, 1.611, 1.617, 1.624, 1.630, 1.637, 1.643,\n & 1.650, 1.656, 1.663, 1.669, 1.675, 1.682, 1.688, 1.695, 1.701,\n & 1.707, 1.714, 1.720, 1.726, 1.732, 1.739, 1.745, 1.751, 1.757,\n & 1.764, 1.770, 1.776, 1.782, 1.788, 1.795, 1.801, 1.807, 1.813,\n & 1.819, 1.825, 1.831, 1.837, 1.843, 1.849, 1.855, 1.861, 1.867,\n & 1.873, 1.879, 1.885, 1.891, 1.897, 1.903, 1.909, 1.915, 1.921,\n & 1.927, 1.933, 1.939, 1.945, 1.950, 1.956, 1.962, 1.968, 1.974,\n & 1.979, 1.985, 1.991, 1.997, 2.003, 2.008, 2.014, 2.020, 2.025,\n & 2.031, 2.037, 2.042, 2.048, 2.054, 2.059, 2.065, 2.071, 2.076,\n & 2.082, 2.087, 2.093, 2.099, 2.104, 2.110, 2.115, 2.121, 2.126,\n & 2.132, 2.137, 2.143, 2.148, 2.154, 2.159, 2.165, 2.170, 2.175,\n & 2.181, 2.186, 2.192, 2.197, 2.202, 2.208, 2.213, 2.219, 2.224,\n & 2.229, 2.235, 2.240, 2.245, 2.250, 2.256, 2.261, 2.266, 2.271,\n & 2.277, 2.282, 2.287, 2.292, 2.298, 2.303, 2.308, 2.313, 2.318,\n & 2.323, 2.329, 2.334, 2.339, 2.344, 2.349, 2.354, 2.359, 2.364,\n & 2.369, 2.375, 2.380, 2.385, 2.390, 2.395, 2.400, 2.405, 2.410,\n & 2.415, 2.420, 2.425, 2.430, 2.483, 2.531, 2.579, 2.626, 2.672,\n & 2.717, 2.762, 2.806, 2.849, 2.891, 2.933, 2.975, 3.015, 3.056,\n & 3.095, 3.134, 3.173, 3.211, 3.248, 3.285, 3.322, 3.358, 3.393,\n & 3.428, 3.463, 3.497, 3.531, 3.564, 3.597, 3.629, 3.662, 3.693,\n & 3.725, 3.756, 3.786, 3.817, 3.847, 3.876, 3.906, 3.935, 3.963,\n & 3.992, 4.020, 4.048, 4.075, 4.102, 4.129, 4.156, 4.182, 4.208,\n & 4.234, 4.260, 4.285, 4.310, 4.335, 4.359, 4.384, 4.408, 4.432,\n & 4.456, 4.479, 4.502, 4.525, 4.548, 4.571, 4.593, 4.615, 4.637,\n & 4.659, 4.681, 4.702, 4.724, 4.745, 4.766, 4.786, 4.807, 4.827,\n & 4.847, 4.868, 4.887, 4.907, 4.927, 4.946, 4.965, 4.984, 5.003,\n & 5.022, 5.041, 5.059, 5.078, 5.096, 5.114, 5.132, 5.150, 5.168,\n & 5.185, 5.203, 5.220, 5.237, 5.254, 5.271, 5.288, 5.304, 5.321,\n & 5.337, 5.354, 5.370, 5.386, 5.402, 5.418, 5.434, 5.449, 5.465,\n & 5.480, 5.496, 5.511, 5.526, 5.541, 5.556, 5.571, 5.586, 5.600,\n & 5.615, 5.629, 5.644, 5.658, 5.672, 5.686, 5.700, 5.714, 5.728,\n & 5.742, 5.755, 5.769, 5.782, 5.796, 5.809, 5.822, 5.835, 5.848,\n & 5.861, 5.874, 5.887, 5.900, 5.913, 5.925, 5.938, 5.950, 5.963,\n & 5.975, 5.987, 5.999, 6.011, 6.023, 6.035, 6.047, 6.059, 6.071,\n & 6.083, 6.094, 6.106\n & /\nC\nC *** NaHSO4\nC\n DATA BNC12M/\n &-0.047,-0.097,-0.120,-0.135,-0.146,-0.154,-0.160,-0.165,-0.170,\n &-0.173,-0.176,-0.178,-0.179,-0.181,-0.181,-0.182,-0.182,-0.182,\n &-0.182,-0.182,-0.181,-0.180,-0.179,-0.178,-0.176,-0.175,-0.173,\n &-0.172,-0.170,-0.168,-0.165,-0.163,-0.161,-0.158,-0.156,-0.153,\n &-0.150,-0.148,-0.145,-0.142,-0.139,-0.136,-0.132,-0.129,-0.126,\n &-0.123,-0.119,-0.116,-0.112,-0.109,-0.105,-0.101,-0.098,-0.094,\n &-0.090,-0.086,-0.082,-0.078,-0.074,-0.070,-0.066,-0.062,-0.058,\n &-0.054,-0.050,-0.046,-0.041,-0.037,-0.033,-0.028,-0.024,-0.020,\n &-0.015,-0.011,-0.006,-0.002, 0.003, 0.007, 0.012, 0.017, 0.021,\n & 0.026, 0.031, 0.036, 0.041, 0.045, 0.050, 0.055, 0.060, 0.065,\n & 0.070, 0.075, 0.080, 0.086, 0.091, 0.096, 0.101, 0.106, 0.112,\n & 0.117, 0.122, 0.128, 0.133, 0.138, 0.144, 0.149, 0.154, 0.160,\n & 0.165, 0.171, 0.176, 0.182, 0.187, 0.193, 0.198, 0.204, 0.209,\n & 0.215, 0.221, 0.226, 0.232, 0.237, 0.243, 0.248, 0.254, 0.259,\n & 0.265, 0.271, 0.276, 0.282, 0.287, 0.293, 0.298, 0.304, 0.309,\n & 0.315, 0.320, 0.326, 0.331, 0.337, 0.342, 0.348, 0.353, 0.358,\n & 0.364, 0.369, 0.375, 0.380, 0.386, 0.391, 0.396, 0.402, 0.407,\n & 0.412, 0.418, 0.423, 0.428, 0.434, 0.439, 0.444, 0.449, 0.455,\n & 0.460, 0.465, 0.470, 0.476, 0.481, 0.486, 0.491, 0.496, 0.502,\n & 0.507, 0.512, 0.517, 0.522, 0.527, 0.532, 0.537, 0.542, 0.548,\n & 0.553, 0.558, 0.563, 0.568, 0.573, 0.578, 0.583, 0.588, 0.593,\n & 0.598, 0.603, 0.607, 0.612, 0.617, 0.622, 0.627, 0.632, 0.637,\n & 0.642, 0.647, 0.651, 0.656, 0.661, 0.666, 0.671, 0.675, 0.680,\n & 0.685, 0.690, 0.694, 0.699, 0.704, 0.709, 0.713, 0.718, 0.723,\n & 0.727, 0.732, 0.737, 0.741, 0.746, 0.751, 0.755, 0.760, 0.764,\n & 0.769, 0.773, 0.778, 0.783, 0.787, 0.792, 0.796, 0.801, 0.805,\n & 0.810, 0.814, 0.819, 0.823, 0.828, 0.832, 0.836, 0.841, 0.845,\n & 0.850, 0.854, 0.858, 0.863, 0.867, 0.872, 0.876, 0.880, 0.885,\n & 0.889, 0.893, 0.898, 0.902, 0.906, 0.910, 0.915, 0.919, 0.923,\n & 0.928, 0.932, 0.936, 0.940, 0.944, 0.949, 0.953, 0.957, 0.961,\n & 0.965, 0.969, 0.974, 0.978, 0.982, 0.986, 0.990, 0.994, 0.998,\n & 1.002, 1.007, 1.011, 1.015, 1.019, 1.023, 1.027, 1.031, 1.035,\n & 1.039, 1.043, 1.047, 1.051, 1.055, 1.059, 1.063, 1.067, 1.071,\n & 1.075, 1.079, 1.083, 1.087, 1.091, 1.094, 1.098, 1.102, 1.106,\n & 1.110, 1.114, 1.118, 1.122, 1.125, 1.129, 1.133, 1.137, 1.141,\n & 1.145, 1.148, 1.152, 1.156, 1.160, 1.164, 1.167, 1.171, 1.175,\n & 1.179, 1.182, 1.186, 1.190, 1.194, 1.197, 1.201, 1.205, 1.208,\n & 1.212, 1.216, 1.219, 1.223, 1.227, 1.230, 1.234, 1.238, 1.241,\n & 1.245, 1.249, 1.252, 1.256, 1.259, 1.263, 1.267, 1.270, 1.274,\n & 1.277, 1.281, 1.284, 1.288, 1.292, 1.295, 1.299, 1.302, 1.306,\n & 1.309, 1.313, 1.316, 1.320, 1.323, 1.327, 1.330, 1.334, 1.337,\n & 1.341, 1.344, 1.347, 1.351, 1.354, 1.358, 1.361, 1.365, 1.368,\n & 1.371, 1.375, 1.378, 1.382, 1.385, 1.388, 1.392, 1.395, 1.398,\n & 1.402, 1.405, 1.408, 1.412, 1.415, 1.418, 1.422, 1.425, 1.428,\n & 1.432, 1.435, 1.438, 1.441, 1.477, 1.509, 1.540, 1.571, 1.601,\n & 1.631, 1.661, 1.690, 1.718, 1.747, 1.774, 1.802, 1.829, 1.855,\n & 1.881, 1.907, 1.933, 1.958, 1.983, 2.007, 2.031, 2.055, 2.079,\n & 2.102, 2.125, 2.147, 2.170, 2.192, 2.213, 2.235, 2.256, 2.277,\n & 2.298, 2.318, 2.339, 2.359, 2.378, 2.398, 2.417, 2.436, 2.455,\n & 2.474, 2.493, 2.511, 2.529, 2.547, 2.565, 2.582, 2.599, 2.617,\n & 2.634, 2.650, 2.667, 2.684, 2.700, 2.716, 2.732, 2.748, 2.763,\n & 2.779, 2.794, 2.810, 2.825, 2.840, 2.854, 2.869, 2.884, 2.898,\n & 2.912, 2.926, 2.940, 2.954, 2.968, 2.982, 2.995, 3.008, 3.022,\n & 3.035, 3.048, 3.061, 3.074, 3.086, 3.099, 3.111, 3.124, 3.136,\n & 3.148, 3.160, 3.172, 3.184, 3.196, 3.208, 3.219, 3.231, 3.242,\n & 3.254, 3.265, 3.276, 3.287, 3.298, 3.309, 3.320, 3.330, 3.341,\n & 3.352, 3.362, 3.373, 3.383, 3.393, 3.403, 3.413, 3.423, 3.433,\n & 3.443, 3.453, 3.463, 3.472, 3.482, 3.491, 3.501, 3.510, 3.520,\n & 3.529, 3.538, 3.547, 3.556, 3.565, 3.574, 3.583, 3.592, 3.601,\n & 3.609, 3.618, 3.626, 3.635, 3.643, 3.652, 3.660, 3.668, 3.677,\n & 3.685, 3.693, 3.701, 3.709, 3.717, 3.725, 3.733, 3.741, 3.748,\n & 3.756, 3.764, 3.771, 3.779, 3.786, 3.794, 3.801, 3.809, 3.816,\n & 3.823, 3.830, 3.838\n & /\nC\nC *** (NH4)3H(SO4)2\nC\n DATA BNC13M/\n &-0.078,-0.169,-0.215,-0.247,-0.272,-0.293,-0.311,-0.326,-0.340,\n &-0.353,-0.364,-0.375,-0.384,-0.393,-0.402,-0.410,-0.417,-0.424,\n &-0.431,-0.437,-0.443,-0.448,-0.454,-0.459,-0.464,-0.469,-0.473,\n &-0.477,-0.482,-0.486,-0.489,-0.493,-0.497,-0.500,-0.503,-0.506,\n &-0.509,-0.512,-0.515,-0.518,-0.520,-0.523,-0.525,-0.528,-0.530,\n &-0.532,-0.534,-0.536,-0.538,-0.540,-0.542,-0.544,-0.546,-0.547,\n &-0.549,-0.550,-0.552,-0.553,-0.555,-0.556,-0.557,-0.559,-0.560,\n &-0.561,-0.562,-0.563,-0.564,-0.565,-0.566,-0.567,-0.568,-0.569,\n &-0.570,-0.571,-0.572,-0.572,-0.573,-0.574,-0.575,-0.575,-0.576,\n &-0.576,-0.577,-0.578,-0.578,-0.579,-0.579,-0.580,-0.580,-0.580,\n &-0.581,-0.581,-0.582,-0.582,-0.582,-0.582,-0.583,-0.583,-0.583,\n &-0.583,-0.584,-0.584,-0.584,-0.584,-0.584,-0.584,-0.584,-0.585,\n &-0.585,-0.585,-0.585,-0.585,-0.585,-0.585,-0.585,-0.585,-0.585,\n &-0.585,-0.585,-0.585,-0.585,-0.585,-0.585,-0.585,-0.585,-0.585,\n &-0.585,-0.584,-0.584,-0.584,-0.584,-0.584,-0.584,-0.584,-0.584,\n &-0.584,-0.584,-0.583,-0.583,-0.583,-0.583,-0.583,-0.583,-0.583,\n &-0.582,-0.582,-0.582,-0.582,-0.582,-0.582,-0.582,-0.581,-0.581,\n &-0.581,-0.581,-0.581,-0.581,-0.580,-0.580,-0.580,-0.580,-0.580,\n &-0.579,-0.579,-0.579,-0.579,-0.579,-0.579,-0.578,-0.578,-0.578,\n &-0.578,-0.578,-0.577,-0.577,-0.577,-0.577,-0.577,-0.577,-0.576,\n &-0.576,-0.576,-0.576,-0.576,-0.575,-0.575,-0.575,-0.575,-0.575,\n &-0.574,-0.574,-0.574,-0.574,-0.574,-0.574,-0.573,-0.573,-0.573,\n &-0.573,-0.573,-0.572,-0.572,-0.572,-0.572,-0.572,-0.571,-0.571,\n &-0.571,-0.571,-0.571,-0.571,-0.570,-0.570,-0.570,-0.570,-0.570,\n &-0.569,-0.569,-0.569,-0.569,-0.569,-0.569,-0.568,-0.568,-0.568,\n &-0.568,-0.568,-0.567,-0.567,-0.567,-0.567,-0.567,-0.567,-0.566,\n &-0.566,-0.566,-0.566,-0.566,-0.566,-0.565,-0.565,-0.565,-0.565,\n &-0.565,-0.565,-0.564,-0.564,-0.564,-0.564,-0.564,-0.564,-0.563,\n &-0.563,-0.563,-0.563,-0.563,-0.563,-0.562,-0.562,-0.562,-0.562,\n &-0.562,-0.562,-0.561,-0.561,-0.561,-0.561,-0.561,-0.561,-0.561,\n &-0.560,-0.560,-0.560,-0.560,-0.560,-0.560,-0.560,-0.559,-0.559,\n &-0.559,-0.559,-0.559,-0.559,-0.559,-0.558,-0.558,-0.558,-0.558,\n &-0.558,-0.558,-0.558,-0.557,-0.557,-0.557,-0.557,-0.557,-0.557,\n &-0.557,-0.556,-0.556,-0.556,-0.556,-0.556,-0.556,-0.556,-0.556,\n &-0.555,-0.555,-0.555,-0.555,-0.555,-0.555,-0.555,-0.555,-0.554,\n &-0.554,-0.554,-0.554,-0.554,-0.554,-0.554,-0.554,-0.554,-0.553,\n &-0.553,-0.553,-0.553,-0.553,-0.553,-0.553,-0.553,-0.553,-0.552,\n &-0.552,-0.552,-0.552,-0.552,-0.552,-0.552,-0.552,-0.552,-0.552,\n &-0.551,-0.551,-0.551,-0.551,-0.551,-0.551,-0.551,-0.551,-0.551,\n &-0.551,-0.550,-0.550,-0.550,-0.550,-0.550,-0.550,-0.550,-0.550,\n &-0.550,-0.550,-0.550,-0.549,-0.549,-0.549,-0.549,-0.549,-0.549,\n &-0.549,-0.549,-0.549,-0.549,-0.549,-0.549,-0.549,-0.548,-0.548,\n &-0.548,-0.548,-0.548,-0.548,-0.548,-0.548,-0.548,-0.548,-0.548,\n &-0.548,-0.548,-0.547,-0.547,-0.547,-0.547,-0.547,-0.547,-0.547,\n &-0.547,-0.547,-0.547,-0.547,-0.546,-0.546,-0.545,-0.545,-0.544,\n &-0.544,-0.544,-0.544,-0.544,-0.544,-0.544,-0.544,-0.544,-0.544,\n &-0.544,-0.544,-0.545,-0.545,-0.545,-0.546,-0.546,-0.547,-0.547,\n &-0.548,-0.548,-0.549,-0.550,-0.550,-0.551,-0.552,-0.553,-0.554,\n &-0.555,-0.556,-0.557,-0.558,-0.559,-0.560,-0.561,-0.562,-0.563,\n &-0.564,-0.566,-0.567,-0.568,-0.569,-0.571,-0.572,-0.573,-0.575,\n &-0.576,-0.578,-0.579,-0.581,-0.582,-0.584,-0.586,-0.587,-0.589,\n &-0.590,-0.592,-0.594,-0.595,-0.597,-0.599,-0.601,-0.603,-0.604,\n &-0.606,-0.608,-0.610,-0.612,-0.614,-0.616,-0.618,-0.620,-0.622,\n &-0.624,-0.626,-0.628,-0.630,-0.632,-0.634,-0.636,-0.638,-0.640,\n &-0.642,-0.644,-0.647,-0.649,-0.651,-0.653,-0.655,-0.658,-0.660,\n &-0.662,-0.664,-0.667,-0.669,-0.671,-0.674,-0.676,-0.678,-0.681,\n &-0.683,-0.686,-0.688,-0.690,-0.693,-0.695,-0.698,-0.700,-0.703,\n &-0.705,-0.708,-0.710,-0.713,-0.715,-0.718,-0.720,-0.723,-0.725,\n &-0.728,-0.731,-0.733,-0.736,-0.738,-0.741,-0.744,-0.746,-0.749,\n &-0.752,-0.754,-0.757,-0.760,-0.762,-0.765,-0.768,-0.770,-0.773,\n &-0.776,-0.779,-0.781,-0.784,-0.787,-0.790,-0.793,-0.795,-0.798,\n &-0.801,-0.804,-0.807,-0.809,-0.812,-0.815,-0.818,-0.821,-0.824,\n &-0.827,-0.829,-0.832\n & /\nC\nC *** CASO4\nC\n DATA BNC14M/\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000\n & /\nC\nC *** CANO32\nC\n DATA BNC15M/\n &-0.096,-0.206,-0.258,-0.293,-0.321,-0.342,-0.360,-0.376,-0.389,\n &-0.401,-0.411,-0.420,-0.429,-0.436,-0.443,-0.449,-0.455,-0.460,\n &-0.465,-0.469,-0.473,-0.477,-0.481,-0.484,-0.487,-0.490,-0.493,\n &-0.495,-0.497,-0.500,-0.502,-0.504,-0.505,-0.507,-0.509,-0.510,\n &-0.512,-0.513,-0.514,-0.515,-0.517,-0.518,-0.519,-0.520,-0.520,\n &-0.521,-0.522,-0.523,-0.524,-0.524,-0.525,-0.526,-0.526,-0.527,\n &-0.527,-0.528,-0.528,-0.529,-0.529,-0.530,-0.530,-0.530,-0.531,\n &-0.531,-0.531,-0.531,-0.532,-0.532,-0.532,-0.532,-0.532,-0.532,\n &-0.533,-0.533,-0.533,-0.533,-0.533,-0.533,-0.533,-0.533,-0.533,\n &-0.532,-0.532,-0.532,-0.532,-0.532,-0.532,-0.531,-0.531,-0.531,\n &-0.530,-0.530,-0.530,-0.529,-0.529,-0.529,-0.528,-0.528,-0.527,\n &-0.527,-0.526,-0.526,-0.525,-0.525,-0.524,-0.524,-0.523,-0.523,\n &-0.522,-0.521,-0.521,-0.520,-0.519,-0.519,-0.518,-0.517,-0.517,\n &-0.516,-0.515,-0.515,-0.514,-0.513,-0.512,-0.512,-0.511,-0.510,\n &-0.509,-0.509,-0.508,-0.507,-0.506,-0.506,-0.505,-0.504,-0.503,\n &-0.503,-0.502,-0.501,-0.500,-0.499,-0.499,-0.498,-0.497,-0.496,\n &-0.495,-0.495,-0.494,-0.493,-0.492,-0.491,-0.491,-0.490,-0.489,\n &-0.488,-0.487,-0.486,-0.486,-0.485,-0.484,-0.483,-0.482,-0.482,\n &-0.481,-0.480,-0.479,-0.478,-0.477,-0.477,-0.476,-0.475,-0.474,\n &-0.473,-0.472,-0.472,-0.471,-0.470,-0.469,-0.468,-0.468,-0.467,\n &-0.466,-0.465,-0.464,-0.463,-0.463,-0.462,-0.461,-0.460,-0.459,\n &-0.459,-0.458,-0.457,-0.456,-0.455,-0.455,-0.454,-0.453,-0.452,\n &-0.451,-0.450,-0.450,-0.449,-0.448,-0.447,-0.446,-0.446,-0.445,\n &-0.444,-0.443,-0.442,-0.442,-0.441,-0.440,-0.439,-0.438,-0.438,\n &-0.437,-0.436,-0.435,-0.435,-0.434,-0.433,-0.432,-0.431,-0.431,\n &-0.430,-0.429,-0.428,-0.427,-0.427,-0.426,-0.425,-0.424,-0.424,\n &-0.423,-0.422,-0.421,-0.421,-0.420,-0.419,-0.418,-0.417,-0.417,\n &-0.416,-0.415,-0.414,-0.414,-0.413,-0.412,-0.411,-0.411,-0.410,\n &-0.409,-0.408,-0.408,-0.407,-0.406,-0.405,-0.405,-0.404,-0.403,\n &-0.402,-0.402,-0.401,-0.400,-0.400,-0.399,-0.398,-0.397,-0.397,\n &-0.396,-0.395,-0.394,-0.394,-0.393,-0.392,-0.392,-0.391,-0.390,\n &-0.389,-0.389,-0.388,-0.387,-0.387,-0.386,-0.385,-0.385,-0.384,\n &-0.383,-0.382,-0.382,-0.381,-0.380,-0.380,-0.379,-0.378,-0.378,\n &-0.377,-0.376,-0.376,-0.375,-0.374,-0.374,-0.373,-0.372,-0.371,\n &-0.371,-0.370,-0.369,-0.369,-0.368,-0.367,-0.367,-0.366,-0.365,\n &-0.365,-0.364,-0.364,-0.363,-0.362,-0.362,-0.361,-0.360,-0.360,\n &-0.359,-0.358,-0.358,-0.357,-0.356,-0.356,-0.355,-0.354,-0.354,\n &-0.353,-0.353,-0.352,-0.351,-0.351,-0.350,-0.349,-0.349,-0.348,\n &-0.348,-0.347,-0.346,-0.346,-0.345,-0.344,-0.344,-0.343,-0.343,\n &-0.342,-0.341,-0.341,-0.340,-0.340,-0.339,-0.338,-0.338,-0.337,\n &-0.337,-0.336,-0.335,-0.335,-0.334,-0.334,-0.333,-0.332,-0.332,\n &-0.331,-0.331,-0.330,-0.330,-0.329,-0.328,-0.328,-0.327,-0.327,\n &-0.326,-0.326,-0.325,-0.324,-0.324,-0.323,-0.323,-0.322,-0.322,\n &-0.321,-0.320,-0.320,-0.319,-0.319,-0.318,-0.318,-0.317,-0.317,\n &-0.316,-0.316,-0.315,-0.314,-0.309,-0.303,-0.298,-0.293,-0.288,\n &-0.284,-0.279,-0.275,-0.270,-0.266,-0.262,-0.258,-0.254,-0.250,\n &-0.246,-0.242,-0.239,-0.235,-0.232,-0.229,-0.226,-0.223,-0.219,\n &-0.217,-0.214,-0.211,-0.208,-0.206,-0.203,-0.201,-0.198,-0.196,\n &-0.194,-0.192,-0.190,-0.188,-0.186,-0.184,-0.182,-0.180,-0.179,\n &-0.177,-0.175,-0.174,-0.173,-0.171,-0.170,-0.169,-0.167,-0.166,\n &-0.165,-0.164,-0.163,-0.162,-0.161,-0.161,-0.160,-0.159,-0.158,\n &-0.158,-0.157,-0.157,-0.156,-0.156,-0.155,-0.155,-0.155,-0.154,\n &-0.154,-0.154,-0.154,-0.154,-0.153,-0.153,-0.153,-0.153,-0.153,\n &-0.154,-0.154,-0.154,-0.154,-0.154,-0.155,-0.155,-0.155,-0.156,\n &-0.156,-0.157,-0.157,-0.158,-0.158,-0.159,-0.159,-0.160,-0.161,\n &-0.161,-0.162,-0.163,-0.164,-0.164,-0.165,-0.166,-0.167,-0.168,\n &-0.169,-0.170,-0.171,-0.172,-0.173,-0.174,-0.175,-0.176,-0.177,\n &-0.179,-0.180,-0.181,-0.182,-0.183,-0.185,-0.186,-0.187,-0.189,\n &-0.190,-0.192,-0.193,-0.194,-0.196,-0.197,-0.199,-0.200,-0.202,\n &-0.203,-0.205,-0.207,-0.208,-0.210,-0.212,-0.213,-0.215,-0.217,\n &-0.218,-0.220,-0.222,-0.224,-0.225,-0.227,-0.229,-0.231,-0.233,\n &-0.235,-0.237,-0.239,-0.240,-0.242,-0.244,-0.246,-0.248,-0.250,\n &-0.252,-0.254,-0.256\n & /\nC\nC *** CACL2\nC\n DATA BNC16M/\n &-0.095,-0.197,-0.242,-0.272,-0.293,-0.309,-0.321,-0.331,-0.339,\n &-0.345,-0.351,-0.355,-0.358,-0.360,-0.362,-0.363,-0.363,-0.364,\n &-0.364,-0.363,-0.362,-0.361,-0.360,-0.358,-0.357,-0.355,-0.353,\n &-0.350,-0.348,-0.345,-0.343,-0.340,-0.337,-0.334,-0.331,-0.328,\n &-0.325,-0.322,-0.319,-0.316,-0.312,-0.309,-0.306,-0.302,-0.299,\n &-0.295,-0.292,-0.289,-0.285,-0.282,-0.278,-0.274,-0.271,-0.267,\n &-0.264,-0.260,-0.257,-0.253,-0.249,-0.246,-0.242,-0.239,-0.235,\n &-0.231,-0.228,-0.224,-0.220,-0.217,-0.213,-0.209,-0.205,-0.202,\n &-0.198,-0.194,-0.190,-0.186,-0.182,-0.178,-0.175,-0.171,-0.167,\n &-0.163,-0.158,-0.154,-0.150,-0.146,-0.142,-0.138,-0.134,-0.129,\n &-0.125,-0.121,-0.116,-0.112,-0.107,-0.103,-0.099,-0.094,-0.090,\n &-0.085,-0.080,-0.076,-0.071,-0.066,-0.062,-0.057,-0.052,-0.048,\n &-0.043,-0.038,-0.033,-0.028,-0.024,-0.019,-0.014,-0.009,-0.004,\n & 0.001, 0.006, 0.010, 0.015, 0.020, 0.025, 0.030, 0.035, 0.040,\n & 0.045, 0.050, 0.055, 0.060, 0.064, 0.069, 0.074, 0.079, 0.084,\n & 0.089, 0.094, 0.099, 0.104, 0.109, 0.114, 0.119, 0.123, 0.128,\n & 0.133, 0.138, 0.143, 0.148, 0.153, 0.158, 0.162, 0.167, 0.172,\n & 0.177, 0.182, 0.187, 0.191, 0.196, 0.201, 0.206, 0.211, 0.215,\n & 0.220, 0.225, 0.230, 0.235, 0.239, 0.244, 0.249, 0.254, 0.258,\n & 0.263, 0.268, 0.272, 0.277, 0.282, 0.287, 0.291, 0.296, 0.301,\n & 0.305, 0.310, 0.315, 0.319, 0.324, 0.329, 0.333, 0.338, 0.342,\n & 0.347, 0.352, 0.356, 0.361, 0.365, 0.370, 0.375, 0.379, 0.384,\n & 0.388, 0.393, 0.397, 0.402, 0.406, 0.411, 0.415, 0.420, 0.424,\n & 0.429, 0.433, 0.438, 0.442, 0.447, 0.451, 0.456, 0.460, 0.464,\n & 0.469, 0.473, 0.478, 0.482, 0.487, 0.491, 0.495, 0.500, 0.504,\n & 0.508, 0.513, 0.517, 0.521, 0.526, 0.530, 0.534, 0.539, 0.543,\n & 0.547, 0.552, 0.556, 0.560, 0.564, 0.569, 0.573, 0.577, 0.581,\n & 0.586, 0.590, 0.594, 0.598, 0.602, 0.607, 0.611, 0.615, 0.619,\n & 0.623, 0.627, 0.632, 0.636, 0.640, 0.644, 0.648, 0.652, 0.656,\n & 0.660, 0.664, 0.669, 0.673, 0.677, 0.681, 0.685, 0.689, 0.693,\n & 0.697, 0.701, 0.705, 0.709, 0.713, 0.717, 0.721, 0.725, 0.729,\n & 0.733, 0.737, 0.741, 0.745, 0.749, 0.753, 0.757, 0.761, 0.765,\n & 0.768, 0.772, 0.776, 0.780, 0.784, 0.788, 0.792, 0.796, 0.799,\n & 0.803, 0.807, 0.811, 0.815, 0.819, 0.823, 0.826, 0.830, 0.834,\n & 0.838, 0.842, 0.845, 0.849, 0.853, 0.857, 0.860, 0.864, 0.868,\n & 0.872, 0.875, 0.879, 0.883, 0.886, 0.890, 0.894, 0.898, 0.901,\n & 0.905, 0.909, 0.912, 0.916, 0.920, 0.923, 0.927, 0.930, 0.934,\n & 0.938, 0.941, 0.945, 0.949, 0.952, 0.956, 0.959, 0.963, 0.966,\n & 0.970, 0.974, 0.977, 0.981, 0.984, 0.988, 0.991, 0.995, 0.998,\n & 1.002, 1.005, 1.009, 1.012, 1.016, 1.019, 1.023, 1.026, 1.030,\n & 1.033, 1.037, 1.040, 1.044, 1.047, 1.050, 1.054, 1.057, 1.061,\n & 1.064, 1.067, 1.071, 1.074, 1.078, 1.081, 1.084, 1.088, 1.091,\n & 1.094, 1.098, 1.101, 1.105, 1.108, 1.111, 1.115, 1.118, 1.121,\n & 1.124, 1.128, 1.131, 1.134, 1.138, 1.141, 1.144, 1.147, 1.151,\n & 1.154, 1.157, 1.160, 1.164, 1.198, 1.230, 1.261, 1.292, 1.322,\n & 1.351, 1.380, 1.409, 1.437, 1.465, 1.492, 1.519, 1.546, 1.572,\n & 1.598, 1.623, 1.648, 1.673, 1.697, 1.721, 1.745, 1.768, 1.791,\n & 1.814, 1.836, 1.858, 1.880, 1.901, 1.922, 1.943, 1.964, 1.984,\n & 2.004, 2.024, 2.044, 2.063, 2.082, 2.101, 2.119, 2.138, 2.156,\n & 2.174, 2.191, 2.209, 2.226, 2.243, 2.260, 2.276, 2.293, 2.309,\n & 2.325, 2.341, 2.357, 2.372, 2.387, 2.403, 2.418, 2.432, 2.447,\n & 2.461, 2.476, 2.490, 2.504, 2.518, 2.531, 2.545, 2.558, 2.571,\n & 2.585, 2.597, 2.610, 2.623, 2.635, 2.648, 2.660, 2.672, 2.684,\n & 2.696, 2.708, 2.720, 2.731, 2.742, 2.754, 2.765, 2.776, 2.787,\n & 2.798, 2.808, 2.819, 2.830, 2.840, 2.850, 2.860, 2.871, 2.881,\n & 2.890, 2.900, 2.910, 2.920, 2.929, 2.938, 2.948, 2.957, 2.966,\n & 2.975, 2.984, 2.993, 3.002, 3.011, 3.019, 3.028, 3.036, 3.045,\n & 3.053, 3.061, 3.069, 3.077, 3.085, 3.093, 3.101, 3.109, 3.117,\n & 3.124, 3.132, 3.139, 3.147, 3.154, 3.161, 3.168, 3.176, 3.183,\n & 3.190, 3.197, 3.203, 3.210, 3.217, 3.224, 3.230, 3.237, 3.243,\n & 3.250, 3.256, 3.263, 3.269, 3.275, 3.281, 3.287, 3.293, 3.299,\n & 3.305, 3.311, 3.317, 3.323, 3.329, 3.334, 3.340, 3.345, 3.351,\n & 3.356, 3.362, 3.367\n & /\nC\nC *** K2SO4\nC\n DATA BNC17M/\n &-0.098,-0.214,-0.273,-0.315,-0.347,-0.375,-0.399,-0.419,-0.438,\n &-0.455,-0.470,-0.485,-0.498,-0.511,-0.522,-0.533,-0.544,-0.554,\n &-0.563,-0.572,-0.581,-0.590,-0.598,-0.605,-0.613,-0.620,-0.627,\n &-0.634,-0.641,-0.647,-0.653,-0.660,-0.666,-0.671,-0.677,-0.683,\n &-0.688,-0.693,-0.698,-0.703,-0.708,-0.713,-0.718,-0.723,-0.727,\n &-0.732,-0.736,-0.741,-0.745,-0.749,-0.753,-0.757,-0.762,-0.765,\n &-0.769,-0.773,-0.777,-0.781,-0.784,-0.788,-0.792,-0.795,-0.799,\n &-0.802,-0.806,-0.809,-0.812,-0.816,-0.819,-0.822,-0.825,-0.829,\n &-0.832,-0.835,-0.838,-0.841,-0.844,-0.847,-0.850,-0.853,-0.856,\n &-0.859,-0.862,-0.865,-0.867,-0.870,-0.873,-0.876,-0.879,-0.881,\n &-0.884,-0.887,-0.890,-0.892,-0.895,-0.898,-0.900,-0.903,-0.905,\n &-0.908,-0.911,-0.913,-0.916,-0.918,-0.921,-0.923,-0.926,-0.928,\n &-0.931,-0.933,-0.936,-0.938,-0.940,-0.943,-0.945,-0.948,-0.950,\n &-0.952,-0.955,-0.957,-0.959,-0.962,-0.964,-0.966,-0.969,-0.971,\n &-0.973,-0.975,-0.978,-0.980,-0.982,-0.984,-0.986,-0.989,-0.991,\n &-0.993,-0.995,-0.997,-0.999,-1.002,-1.004,-1.006,-1.008,-1.010,\n &-1.012,-1.014,-1.016,-1.018,-1.020,-1.022,-1.024,-1.026,-1.028,\n &-1.030,-1.032,-1.034,-1.036,-1.038,-1.040,-1.042,-1.044,-1.046,\n &-1.048,-1.050,-1.052,-1.054,-1.056,-1.058,-1.060,-1.062,-1.064,\n &-1.066,-1.067,-1.069,-1.071,-1.073,-1.075,-1.077,-1.079,-1.080,\n &-1.082,-1.084,-1.086,-1.088,-1.090,-1.091,-1.093,-1.095,-1.097,\n &-1.099,-1.100,-1.102,-1.104,-1.106,-1.107,-1.109,-1.111,-1.113,\n &-1.114,-1.116,-1.118,-1.120,-1.121,-1.123,-1.125,-1.127,-1.128,\n &-1.130,-1.132,-1.133,-1.135,-1.137,-1.138,-1.140,-1.142,-1.143,\n &-1.145,-1.147,-1.148,-1.150,-1.152,-1.153,-1.155,-1.157,-1.158,\n &-1.160,-1.162,-1.163,-1.165,-1.166,-1.168,-1.170,-1.171,-1.173,\n &-1.174,-1.176,-1.178,-1.179,-1.181,-1.182,-1.184,-1.185,-1.187,\n &-1.189,-1.190,-1.192,-1.193,-1.195,-1.196,-1.198,-1.199,-1.201,\n &-1.203,-1.204,-1.206,-1.207,-1.209,-1.210,-1.212,-1.213,-1.215,\n &-1.216,-1.218,-1.219,-1.221,-1.222,-1.224,-1.225,-1.227,-1.228,\n &-1.230,-1.231,-1.233,-1.234,-1.236,-1.237,-1.238,-1.240,-1.241,\n &-1.243,-1.244,-1.246,-1.247,-1.249,-1.250,-1.252,-1.253,-1.254,\n &-1.256,-1.257,-1.259,-1.260,-1.262,-1.263,-1.264,-1.266,-1.267,\n &-1.269,-1.270,-1.271,-1.273,-1.274,-1.276,-1.277,-1.278,-1.280,\n &-1.281,-1.283,-1.284,-1.285,-1.287,-1.288,-1.290,-1.291,-1.292,\n &-1.294,-1.295,-1.296,-1.298,-1.299,-1.301,-1.302,-1.303,-1.305,\n &-1.306,-1.307,-1.309,-1.310,-1.311,-1.313,-1.314,-1.315,-1.317,\n &-1.318,-1.319,-1.321,-1.322,-1.323,-1.325,-1.326,-1.327,-1.329,\n &-1.330,-1.331,-1.333,-1.334,-1.335,-1.337,-1.338,-1.339,-1.341,\n &-1.342,-1.343,-1.344,-1.346,-1.347,-1.348,-1.350,-1.351,-1.352,\n &-1.354,-1.355,-1.356,-1.357,-1.359,-1.360,-1.361,-1.363,-1.364,\n &-1.365,-1.366,-1.368,-1.369,-1.370,-1.371,-1.373,-1.374,-1.375,\n &-1.376,-1.378,-1.379,-1.380,-1.381,-1.383,-1.384,-1.385,-1.387,\n &-1.388,-1.389,-1.390,-1.391,-1.393,-1.394,-1.395,-1.396,-1.398,\n &-1.399,-1.400,-1.401,-1.403,-1.416,-1.428,-1.440,-1.452,-1.463,\n &-1.475,-1.487,-1.498,-1.509,-1.520,-1.532,-1.543,-1.554,-1.564,\n &-1.575,-1.586,-1.596,-1.607,-1.617,-1.628,-1.638,-1.648,-1.659,\n &-1.669,-1.679,-1.689,-1.699,-1.709,-1.719,-1.729,-1.738,-1.748,\n &-1.758,-1.767,-1.777,-1.786,-1.796,-1.805,-1.815,-1.824,-1.833,\n &-1.843,-1.852,-1.861,-1.870,-1.879,-1.888,-1.897,-1.906,-1.915,\n &-1.924,-1.933,-1.942,-1.951,-1.960,-1.969,-1.977,-1.986,-1.995,\n &-2.004,-2.012,-2.021,-2.029,-2.038,-2.047,-2.055,-2.064,-2.072,\n &-2.081,-2.089,-2.097,-2.106,-2.114,-2.123,-2.131,-2.139,-2.147,\n &-2.156,-2.164,-2.172,-2.180,-2.189,-2.197,-2.205,-2.213,-2.221,\n &-2.229,-2.237,-2.245,-2.253,-2.261,-2.269,-2.277,-2.285,-2.293,\n &-2.301,-2.309,-2.317,-2.325,-2.333,-2.341,-2.349,-2.356,-2.364,\n &-2.372,-2.380,-2.388,-2.395,-2.403,-2.411,-2.419,-2.426,-2.434,\n &-2.442,-2.449,-2.457,-2.465,-2.472,-2.480,-2.488,-2.495,-2.503,\n &-2.510,-2.518,-2.525,-2.533,-2.541,-2.548,-2.556,-2.563,-2.571,\n &-2.578,-2.586,-2.593,-2.600,-2.608,-2.615,-2.623,-2.630,-2.638,\n &-2.645,-2.652,-2.660,-2.667,-2.674,-2.682,-2.689,-2.696,-2.704,\n &-2.711,-2.718,-2.726,-2.733,-2.740,-2.747,-2.755,-2.762,-2.769,\n &-2.776,-2.784,-2.791\n & /\nC\nC *** KHSO4\nC\n DATA BNC18M/\n &-0.048,-0.102,-0.127,-0.145,-0.158,-0.169,-0.178,-0.185,-0.192,\n &-0.198,-0.203,-0.207,-0.211,-0.215,-0.218,-0.221,-0.224,-0.226,\n &-0.228,-0.230,-0.231,-0.232,-0.234,-0.235,-0.235,-0.236,-0.237,\n &-0.237,-0.237,-0.237,-0.237,-0.237,-0.237,-0.236,-0.236,-0.235,\n &-0.234,-0.234,-0.233,-0.232,-0.231,-0.230,-0.228,-0.227,-0.226,\n &-0.224,-0.223,-0.221,-0.220,-0.218,-0.216,-0.214,-0.212,-0.210,\n &-0.208,-0.206,-0.204,-0.202,-0.200,-0.198,-0.196,-0.193,-0.191,\n &-0.189,-0.186,-0.184,-0.181,-0.179,-0.176,-0.173,-0.171,-0.168,\n &-0.165,-0.163,-0.160,-0.157,-0.154,-0.151,-0.148,-0.146,-0.143,\n &-0.140,-0.137,-0.133,-0.130,-0.127,-0.124,-0.121,-0.118,-0.115,\n &-0.111,-0.108,-0.105,-0.101,-0.098,-0.095,-0.091,-0.088,-0.084,\n &-0.081,-0.077,-0.074,-0.070,-0.067,-0.063,-0.060,-0.056,-0.052,\n &-0.049,-0.045,-0.042,-0.038,-0.034,-0.031,-0.027,-0.023,-0.020,\n &-0.016,-0.012,-0.008,-0.005,-0.001, 0.003, 0.006, 0.010, 0.014,\n & 0.018, 0.021, 0.025, 0.029, 0.032, 0.036, 0.040, 0.043, 0.047,\n & 0.051, 0.054, 0.058, 0.062, 0.065, 0.069, 0.073, 0.076, 0.080,\n & 0.084, 0.087, 0.091, 0.094, 0.098, 0.102, 0.105, 0.109, 0.112,\n & 0.116, 0.119, 0.123, 0.127, 0.130, 0.134, 0.137, 0.141, 0.144,\n & 0.148, 0.151, 0.155, 0.158, 0.162, 0.165, 0.168, 0.172, 0.175,\n & 0.179, 0.182, 0.186, 0.189, 0.192, 0.196, 0.199, 0.202, 0.206,\n & 0.209, 0.212, 0.216, 0.219, 0.222, 0.226, 0.229, 0.232, 0.236,\n & 0.239, 0.242, 0.245, 0.249, 0.252, 0.255, 0.258, 0.262, 0.265,\n & 0.268, 0.271, 0.274, 0.278, 0.281, 0.284, 0.287, 0.290, 0.293,\n & 0.297, 0.300, 0.303, 0.306, 0.309, 0.312, 0.315, 0.318, 0.321,\n & 0.324, 0.327, 0.330, 0.334, 0.337, 0.340, 0.343, 0.346, 0.349,\n & 0.352, 0.355, 0.358, 0.361, 0.364, 0.367, 0.369, 0.372, 0.375,\n & 0.378, 0.381, 0.384, 0.387, 0.390, 0.393, 0.396, 0.399, 0.402,\n & 0.404, 0.407, 0.410, 0.413, 0.416, 0.419, 0.422, 0.424, 0.427,\n & 0.430, 0.433, 0.436, 0.438, 0.441, 0.444, 0.447, 0.450, 0.452,\n & 0.455, 0.458, 0.461, 0.463, 0.466, 0.469, 0.471, 0.474, 0.477,\n & 0.480, 0.482, 0.485, 0.488, 0.490, 0.493, 0.496, 0.498, 0.501,\n & 0.504, 0.506, 0.509, 0.512, 0.514, 0.517, 0.519, 0.522, 0.525,\n & 0.527, 0.530, 0.532, 0.535, 0.538, 0.540, 0.543, 0.545, 0.548,\n & 0.550, 0.553, 0.555, 0.558, 0.560, 0.563, 0.566, 0.568, 0.571,\n & 0.573, 0.576, 0.578, 0.581, 0.583, 0.585, 0.588, 0.590, 0.593,\n & 0.595, 0.598, 0.600, 0.603, 0.605, 0.607, 0.610, 0.612, 0.615,\n & 0.617, 0.620, 0.622, 0.624, 0.627, 0.629, 0.632, 0.634, 0.636,\n & 0.639, 0.641, 0.643, 0.646, 0.648, 0.650, 0.653, 0.655, 0.657,\n & 0.660, 0.662, 0.664, 0.667, 0.669, 0.671, 0.674, 0.676, 0.678,\n & 0.680, 0.683, 0.685, 0.687, 0.689, 0.692, 0.694, 0.696, 0.699,\n & 0.701, 0.703, 0.705, 0.707, 0.710, 0.712, 0.714, 0.716, 0.719,\n & 0.721, 0.723, 0.725, 0.727, 0.730, 0.732, 0.734, 0.736, 0.738,\n & 0.740, 0.743, 0.745, 0.747, 0.749, 0.751, 0.753, 0.755, 0.758,\n & 0.760, 0.762, 0.764, 0.766, 0.768, 0.770, 0.772, 0.775, 0.777,\n & 0.779, 0.781, 0.783, 0.785, 0.807, 0.828, 0.848, 0.867, 0.886,\n & 0.905, 0.924, 0.942, 0.960, 0.978, 0.995, 1.013, 1.029, 1.046,\n & 1.062, 1.079, 1.095, 1.110, 1.126, 1.141, 1.156, 1.171, 1.185,\n & 1.200, 1.214, 1.228, 1.242, 1.256, 1.269, 1.282, 1.295, 1.308,\n & 1.321, 1.334, 1.346, 1.359, 1.371, 1.383, 1.395, 1.406, 1.418,\n & 1.429, 1.441, 1.452, 1.463, 1.474, 1.485, 1.495, 1.506, 1.516,\n & 1.527, 1.537, 1.547, 1.557, 1.567, 1.577, 1.586, 1.596, 1.605,\n & 1.615, 1.624, 1.633, 1.642, 1.651, 1.660, 1.669, 1.678, 1.686,\n & 1.695, 1.703, 1.711, 1.720, 1.728, 1.736, 1.744, 1.752, 1.760,\n & 1.768, 1.775, 1.783, 1.791, 1.798, 1.806, 1.813, 1.820, 1.828,\n & 1.835, 1.842, 1.849, 1.856, 1.863, 1.870, 1.876, 1.883, 1.890,\n & 1.896, 1.903, 1.909, 1.916, 1.922, 1.928, 1.935, 1.941, 1.947,\n & 1.953, 1.959, 1.965, 1.971, 1.977, 1.983, 1.989, 1.994, 2.000,\n & 2.006, 2.011, 2.017, 2.022, 2.028, 2.033, 2.039, 2.044, 2.049,\n & 2.054, 2.060, 2.065, 2.070, 2.075, 2.080, 2.085, 2.090, 2.095,\n & 2.100, 2.104, 2.109, 2.114, 2.119, 2.123, 2.128, 2.132, 2.137,\n & 2.142, 2.146, 2.150, 2.155, 2.159, 2.164, 2.168, 2.172, 2.176,\n & 2.181, 2.185, 2.189, 2.193, 2.197, 2.201, 2.205, 2.209, 2.213,\n & 2.217, 2.221, 2.225\n & /\nC\nC *** KNO3\nC\n DATA BNC19M/\n &-0.051,-0.116,-0.152,-0.180,-0.203,-0.223,-0.241,-0.257,-0.272,\n &-0.286,-0.300,-0.313,-0.325,-0.336,-0.348,-0.359,-0.369,-0.379,\n &-0.389,-0.399,-0.408,-0.417,-0.426,-0.435,-0.444,-0.452,-0.460,\n &-0.468,-0.476,-0.484,-0.492,-0.499,-0.507,-0.514,-0.521,-0.528,\n &-0.535,-0.542,-0.548,-0.555,-0.562,-0.568,-0.574,-0.580,-0.587,\n &-0.593,-0.599,-0.604,-0.610,-0.616,-0.622,-0.627,-0.633,-0.638,\n &-0.644,-0.649,-0.654,-0.659,-0.664,-0.670,-0.675,-0.680,-0.684,\n &-0.689,-0.694,-0.699,-0.704,-0.708,-0.713,-0.718,-0.722,-0.727,\n &-0.731,-0.736,-0.740,-0.745,-0.749,-0.754,-0.758,-0.763,-0.767,\n &-0.771,-0.776,-0.780,-0.784,-0.788,-0.793,-0.797,-0.801,-0.805,\n &-0.810,-0.814,-0.818,-0.822,-0.826,-0.830,-0.834,-0.839,-0.843,\n &-0.847,-0.851,-0.855,-0.859,-0.863,-0.867,-0.871,-0.875,-0.879,\n &-0.883,-0.887,-0.891,-0.895,-0.899,-0.903,-0.907,-0.910,-0.914,\n &-0.918,-0.922,-0.926,-0.930,-0.933,-0.937,-0.941,-0.945,-0.948,\n &-0.952,-0.956,-0.959,-0.963,-0.967,-0.970,-0.974,-0.977,-0.981,\n &-0.985,-0.988,-0.992,-0.995,-0.999,-1.002,-1.006,-1.009,-1.012,\n &-1.016,-1.019,-1.023,-1.026,-1.029,-1.033,-1.036,-1.039,-1.042,\n &-1.046,-1.049,-1.052,-1.055,-1.059,-1.062,-1.065,-1.068,-1.071,\n &-1.074,-1.078,-1.081,-1.084,-1.087,-1.090,-1.093,-1.096,-1.099,\n &-1.102,-1.105,-1.108,-1.111,-1.114,-1.117,-1.120,-1.123,-1.126,\n &-1.129,-1.131,-1.134,-1.137,-1.140,-1.143,-1.146,-1.149,-1.151,\n &-1.154,-1.157,-1.160,-1.162,-1.165,-1.168,-1.171,-1.173,-1.176,\n &-1.179,-1.181,-1.184,-1.187,-1.189,-1.192,-1.195,-1.197,-1.200,\n &-1.202,-1.205,-1.207,-1.210,-1.213,-1.215,-1.218,-1.220,-1.223,\n &-1.225,-1.228,-1.230,-1.233,-1.235,-1.237,-1.240,-1.242,-1.245,\n &-1.247,-1.250,-1.252,-1.254,-1.257,-1.259,-1.261,-1.264,-1.266,\n &-1.268,-1.271,-1.273,-1.275,-1.278,-1.280,-1.282,-1.284,-1.287,\n &-1.289,-1.291,-1.293,-1.296,-1.298,-1.300,-1.302,-1.304,-1.307,\n &-1.309,-1.311,-1.313,-1.315,-1.317,-1.319,-1.322,-1.324,-1.326,\n &-1.328,-1.330,-1.332,-1.334,-1.336,-1.338,-1.340,-1.342,-1.344,\n &-1.346,-1.348,-1.350,-1.352,-1.354,-1.356,-1.358,-1.360,-1.362,\n &-1.364,-1.366,-1.368,-1.370,-1.372,-1.374,-1.376,-1.378,-1.380,\n &-1.382,-1.384,-1.385,-1.387,-1.389,-1.391,-1.393,-1.395,-1.397,\n &-1.398,-1.400,-1.402,-1.404,-1.406,-1.408,-1.409,-1.411,-1.413,\n &-1.415,-1.417,-1.418,-1.420,-1.422,-1.424,-1.425,-1.427,-1.429,\n &-1.431,-1.432,-1.434,-1.436,-1.437,-1.439,-1.441,-1.443,-1.444,\n &-1.446,-1.448,-1.449,-1.451,-1.453,-1.454,-1.456,-1.458,-1.459,\n &-1.461,-1.462,-1.464,-1.466,-1.467,-1.469,-1.470,-1.472,-1.474,\n &-1.475,-1.477,-1.478,-1.480,-1.482,-1.483,-1.485,-1.486,-1.488,\n &-1.489,-1.491,-1.492,-1.494,-1.495,-1.497,-1.498,-1.500,-1.501,\n &-1.503,-1.504,-1.506,-1.507,-1.509,-1.510,-1.512,-1.513,-1.515,\n &-1.516,-1.518,-1.519,-1.521,-1.522,-1.523,-1.525,-1.526,-1.528,\n &-1.529,-1.530,-1.532,-1.533,-1.535,-1.536,-1.537,-1.539,-1.540,\n &-1.542,-1.543,-1.544,-1.546,-1.547,-1.548,-1.550,-1.551,-1.553,\n &-1.554,-1.555,-1.557,-1.558,-1.572,-1.585,-1.597,-1.609,-1.621,\n &-1.632,-1.643,-1.654,-1.665,-1.675,-1.685,-1.695,-1.705,-1.714,\n &-1.723,-1.732,-1.741,-1.750,-1.758,-1.766,-1.774,-1.782,-1.790,\n &-1.798,-1.805,-1.813,-1.820,-1.827,-1.834,-1.841,-1.848,-1.855,\n &-1.861,-1.868,-1.874,-1.881,-1.887,-1.893,-1.899,-1.905,-1.911,\n &-1.917,-1.923,-1.929,-1.934,-1.940,-1.945,-1.951,-1.956,-1.962,\n &-1.967,-1.972,-1.977,-1.982,-1.988,-1.993,-1.998,-2.003,-2.008,\n &-2.012,-2.017,-2.022,-2.027,-2.032,-2.036,-2.041,-2.046,-2.050,\n &-2.055,-2.059,-2.064,-2.068,-2.073,-2.077,-2.082,-2.086,-2.090,\n &-2.095,-2.099,-2.103,-2.108,-2.112,-2.116,-2.120,-2.124,-2.128,\n &-2.133,-2.137,-2.141,-2.145,-2.149,-2.153,-2.157,-2.161,-2.165,\n &-2.169,-2.173,-2.177,-2.181,-2.185,-2.189,-2.192,-2.196,-2.200,\n &-2.204,-2.208,-2.212,-2.216,-2.219,-2.223,-2.227,-2.231,-2.234,\n &-2.238,-2.242,-2.246,-2.249,-2.253,-2.257,-2.260,-2.264,-2.268,\n &-2.271,-2.275,-2.279,-2.282,-2.286,-2.289,-2.293,-2.297,-2.300,\n &-2.304,-2.307,-2.311,-2.315,-2.318,-2.322,-2.325,-2.329,-2.332,\n &-2.336,-2.339,-2.343,-2.346,-2.350,-2.353,-2.357,-2.360,-2.364,\n &-2.367,-2.370,-2.374,-2.377,-2.381,-2.384,-2.388,-2.391,-2.395,\n &-2.398,-2.401,-2.405\n & /\nC\nC *** KCL\nC\n DATA BNC20M/\n &-0.048,-0.103,-0.129,-0.147,-0.160,-0.171,-0.180,-0.188,-0.195,\n &-0.201,-0.206,-0.210,-0.215,-0.218,-0.222,-0.225,-0.228,-0.230,\n &-0.233,-0.235,-0.237,-0.239,-0.241,-0.242,-0.244,-0.245,-0.247,\n &-0.248,-0.249,-0.250,-0.251,-0.252,-0.253,-0.254,-0.255,-0.256,\n &-0.256,-0.257,-0.258,-0.258,-0.259,-0.260,-0.260,-0.261,-0.261,\n &-0.261,-0.262,-0.262,-0.263,-0.263,-0.263,-0.264,-0.264,-0.264,\n &-0.265,-0.265,-0.265,-0.265,-0.266,-0.266,-0.266,-0.266,-0.266,\n &-0.267,-0.267,-0.267,-0.267,-0.267,-0.267,-0.267,-0.267,-0.267,\n &-0.267,-0.268,-0.268,-0.268,-0.268,-0.268,-0.268,-0.268,-0.268,\n &-0.268,-0.267,-0.267,-0.267,-0.267,-0.267,-0.267,-0.267,-0.267,\n &-0.267,-0.267,-0.266,-0.266,-0.266,-0.266,-0.266,-0.265,-0.265,\n &-0.265,-0.265,-0.265,-0.264,-0.264,-0.264,-0.264,-0.263,-0.263,\n &-0.263,-0.262,-0.262,-0.262,-0.261,-0.261,-0.261,-0.260,-0.260,\n &-0.260,-0.259,-0.259,-0.259,-0.258,-0.258,-0.258,-0.257,-0.257,\n &-0.257,-0.256,-0.256,-0.256,-0.255,-0.255,-0.254,-0.254,-0.254,\n &-0.253,-0.253,-0.253,-0.252,-0.252,-0.251,-0.251,-0.251,-0.250,\n &-0.250,-0.249,-0.249,-0.249,-0.248,-0.248,-0.247,-0.247,-0.247,\n &-0.246,-0.246,-0.246,-0.245,-0.245,-0.244,-0.244,-0.244,-0.243,\n &-0.243,-0.242,-0.242,-0.242,-0.241,-0.241,-0.240,-0.240,-0.240,\n &-0.239,-0.239,-0.238,-0.238,-0.238,-0.237,-0.237,-0.236,-0.236,\n &-0.236,-0.235,-0.235,-0.234,-0.234,-0.234,-0.233,-0.233,-0.232,\n &-0.232,-0.232,-0.231,-0.231,-0.230,-0.230,-0.230,-0.229,-0.229,\n &-0.228,-0.228,-0.228,-0.227,-0.227,-0.227,-0.226,-0.226,-0.225,\n &-0.225,-0.225,-0.224,-0.224,-0.223,-0.223,-0.223,-0.222,-0.222,\n &-0.221,-0.221,-0.221,-0.220,-0.220,-0.220,-0.219,-0.219,-0.218,\n &-0.218,-0.218,-0.217,-0.217,-0.217,-0.216,-0.216,-0.215,-0.215,\n &-0.215,-0.214,-0.214,-0.214,-0.213,-0.213,-0.212,-0.212,-0.212,\n &-0.211,-0.211,-0.211,-0.210,-0.210,-0.209,-0.209,-0.209,-0.208,\n &-0.208,-0.208,-0.207,-0.207,-0.207,-0.206,-0.206,-0.205,-0.205,\n &-0.205,-0.204,-0.204,-0.204,-0.203,-0.203,-0.203,-0.202,-0.202,\n &-0.202,-0.201,-0.201,-0.201,-0.200,-0.200,-0.199,-0.199,-0.199,\n &-0.198,-0.198,-0.198,-0.197,-0.197,-0.197,-0.196,-0.196,-0.196,\n &-0.195,-0.195,-0.195,-0.194,-0.194,-0.194,-0.193,-0.193,-0.193,\n &-0.192,-0.192,-0.192,-0.191,-0.191,-0.191,-0.190,-0.190,-0.190,\n &-0.189,-0.189,-0.189,-0.188,-0.188,-0.188,-0.187,-0.187,-0.187,\n &-0.186,-0.186,-0.186,-0.186,-0.185,-0.185,-0.185,-0.184,-0.184,\n &-0.184,-0.183,-0.183,-0.183,-0.182,-0.182,-0.182,-0.181,-0.181,\n &-0.181,-0.181,-0.180,-0.180,-0.180,-0.179,-0.179,-0.179,-0.178,\n &-0.178,-0.178,-0.178,-0.177,-0.177,-0.177,-0.176,-0.176,-0.176,\n &-0.175,-0.175,-0.175,-0.175,-0.174,-0.174,-0.174,-0.173,-0.173,\n &-0.173,-0.173,-0.172,-0.172,-0.172,-0.171,-0.171,-0.171,-0.171,\n &-0.170,-0.170,-0.170,-0.169,-0.169,-0.169,-0.169,-0.168,-0.168,\n &-0.168,-0.167,-0.167,-0.167,-0.167,-0.166,-0.166,-0.166,-0.166,\n &-0.165,-0.165,-0.165,-0.164,-0.164,-0.164,-0.164,-0.163,-0.163,\n &-0.163,-0.163,-0.162,-0.162,-0.159,-0.157,-0.154,-0.152,-0.149,\n &-0.147,-0.145,-0.143,-0.141,-0.139,-0.137,-0.135,-0.133,-0.131,\n &-0.129,-0.127,-0.126,-0.124,-0.122,-0.121,-0.119,-0.118,-0.116,\n &-0.115,-0.114,-0.112,-0.111,-0.110,-0.109,-0.107,-0.106,-0.105,\n &-0.104,-0.103,-0.102,-0.101,-0.100,-0.099,-0.099,-0.098,-0.097,\n &-0.096,-0.095,-0.095,-0.094,-0.093,-0.093,-0.092,-0.092,-0.091,\n &-0.091,-0.090,-0.090,-0.089,-0.089,-0.089,-0.088,-0.088,-0.088,\n &-0.087,-0.087,-0.087,-0.087,-0.087,-0.086,-0.086,-0.086,-0.086,\n &-0.086,-0.086,-0.086,-0.086,-0.086,-0.086,-0.086,-0.086,-0.086,\n &-0.086,-0.086,-0.086,-0.087,-0.087,-0.087,-0.087,-0.087,-0.088,\n &-0.088,-0.088,-0.088,-0.089,-0.089,-0.089,-0.090,-0.090,-0.090,\n &-0.091,-0.091,-0.092,-0.092,-0.092,-0.093,-0.093,-0.094,-0.094,\n &-0.095,-0.095,-0.096,-0.096,-0.097,-0.098,-0.098,-0.099,-0.099,\n &-0.100,-0.101,-0.101,-0.102,-0.103,-0.103,-0.104,-0.105,-0.105,\n &-0.106,-0.107,-0.107,-0.108,-0.109,-0.110,-0.111,-0.111,-0.112,\n &-0.113,-0.114,-0.115,-0.115,-0.116,-0.117,-0.118,-0.119,-0.120,\n &-0.121,-0.122,-0.122,-0.123,-0.124,-0.125,-0.126,-0.127,-0.128,\n &-0.129,-0.130,-0.131,-0.132,-0.133,-0.134,-0.135,-0.136,-0.137,\n &-0.138,-0.139,-0.140\n & /\nC\nC *** MGSO4\nC\n DATA BNC21M/\n &-0.195,-0.422,-0.535,-0.614,-0.676,-0.727,-0.770,-0.808,-0.841,\n &-0.871,-0.898,-0.923,-0.946,-0.968,-0.988,-1.006,-1.024,-1.041,\n &-1.056,-1.071,-1.085,-1.099,-1.112,-1.124,-1.136,-1.148,-1.159,\n &-1.169,-1.179,-1.189,-1.199,-1.208,-1.217,-1.226,-1.234,-1.243,\n &-1.251,-1.258,-1.266,-1.273,-1.281,-1.288,-1.295,-1.302,-1.308,\n &-1.315,-1.321,-1.327,-1.333,-1.339,-1.345,-1.351,-1.357,-1.362,\n &-1.368,-1.373,-1.379,-1.384,-1.389,-1.394,-1.399,-1.404,-1.409,\n &-1.413,-1.418,-1.423,-1.427,-1.432,-1.436,-1.441,-1.445,-1.449,\n &-1.454,-1.458,-1.462,-1.466,-1.470,-1.474,-1.478,-1.482,-1.486,\n &-1.489,-1.493,-1.497,-1.500,-1.504,-1.508,-1.511,-1.515,-1.518,\n &-1.522,-1.525,-1.528,-1.532,-1.535,-1.538,-1.541,-1.545,-1.548,\n &-1.551,-1.554,-1.557,-1.560,-1.563,-1.566,-1.569,-1.572,-1.575,\n &-1.578,-1.581,-1.584,-1.586,-1.589,-1.592,-1.595,-1.598,-1.600,\n &-1.603,-1.606,-1.608,-1.611,-1.614,-1.616,-1.619,-1.621,-1.624,\n &-1.626,-1.629,-1.631,-1.634,-1.636,-1.639,-1.641,-1.644,-1.646,\n &-1.649,-1.651,-1.653,-1.656,-1.658,-1.660,-1.663,-1.665,-1.667,\n &-1.670,-1.672,-1.674,-1.676,-1.679,-1.681,-1.683,-1.685,-1.688,\n &-1.690,-1.692,-1.694,-1.696,-1.698,-1.701,-1.703,-1.705,-1.707,\n &-1.709,-1.711,-1.713,-1.715,-1.717,-1.720,-1.722,-1.724,-1.726,\n &-1.728,-1.730,-1.732,-1.734,-1.736,-1.738,-1.740,-1.742,-1.744,\n &-1.746,-1.748,-1.750,-1.752,-1.754,-1.756,-1.757,-1.759,-1.761,\n &-1.763,-1.765,-1.767,-1.769,-1.771,-1.773,-1.775,-1.776,-1.778,\n &-1.780,-1.782,-1.784,-1.786,-1.788,-1.789,-1.791,-1.793,-1.795,\n &-1.797,-1.799,-1.800,-1.802,-1.804,-1.806,-1.808,-1.809,-1.811,\n &-1.813,-1.815,-1.816,-1.818,-1.820,-1.822,-1.823,-1.825,-1.827,\n &-1.829,-1.830,-1.832,-1.834,-1.836,-1.837,-1.839,-1.841,-1.842,\n &-1.844,-1.846,-1.848,-1.849,-1.851,-1.853,-1.854,-1.856,-1.858,\n &-1.859,-1.861,-1.863,-1.864,-1.866,-1.868,-1.869,-1.871,-1.873,\n &-1.874,-1.876,-1.878,-1.879,-1.881,-1.882,-1.884,-1.886,-1.887,\n &-1.889,-1.891,-1.892,-1.894,-1.895,-1.897,-1.899,-1.900,-1.902,\n &-1.903,-1.905,-1.907,-1.908,-1.910,-1.911,-1.913,-1.915,-1.916,\n &-1.918,-1.919,-1.921,-1.922,-1.924,-1.925,-1.927,-1.929,-1.930,\n &-1.932,-1.933,-1.935,-1.936,-1.938,-1.939,-1.941,-1.943,-1.944,\n &-1.946,-1.947,-1.949,-1.950,-1.952,-1.953,-1.955,-1.956,-1.958,\n &-1.959,-1.961,-1.962,-1.964,-1.965,-1.967,-1.968,-1.970,-1.971,\n &-1.973,-1.974,-1.976,-1.977,-1.979,-1.980,-1.982,-1.983,-1.985,\n &-1.986,-1.988,-1.989,-1.991,-1.992,-1.994,-1.995,-1.997,-1.998,\n &-2.000,-2.001,-2.003,-2.004,-2.006,-2.007,-2.008,-2.010,-2.011,\n &-2.013,-2.014,-2.016,-2.017,-2.019,-2.020,-2.022,-2.023,-2.024,\n &-2.026,-2.027,-2.029,-2.030,-2.032,-2.033,-2.035,-2.036,-2.037,\n &-2.039,-2.040,-2.042,-2.043,-2.045,-2.046,-2.047,-2.049,-2.050,\n &-2.052,-2.053,-2.055,-2.056,-2.057,-2.059,-2.060,-2.062,-2.063,\n &-2.065,-2.066,-2.067,-2.069,-2.070,-2.072,-2.073,-2.074,-2.076,\n &-2.077,-2.079,-2.080,-2.081,-2.083,-2.084,-2.086,-2.087,-2.088,\n &-2.090,-2.091,-2.093,-2.094,-2.109,-2.123,-2.137,-2.150,-2.164,\n &-2.177,-2.191,-2.204,-2.217,-2.231,-2.244,-2.257,-2.270,-2.283,\n &-2.296,-2.309,-2.322,-2.335,-2.348,-2.361,-2.374,-2.386,-2.399,\n &-2.412,-2.425,-2.437,-2.450,-2.463,-2.475,-2.488,-2.500,-2.513,\n &-2.525,-2.538,-2.550,-2.563,-2.575,-2.588,-2.600,-2.612,-2.625,\n &-2.637,-2.650,-2.662,-2.674,-2.686,-2.699,-2.711,-2.723,-2.736,\n &-2.748,-2.760,-2.772,-2.784,-2.797,-2.809,-2.821,-2.833,-2.845,\n &-2.857,-2.870,-2.882,-2.894,-2.906,-2.918,-2.930,-2.942,-2.954,\n &-2.966,-2.978,-2.991,-3.003,-3.015,-3.027,-3.039,-3.051,-3.063,\n &-3.075,-3.087,-3.099,-3.111,-3.123,-3.135,-3.147,-3.159,-3.171,\n &-3.182,-3.194,-3.206,-3.218,-3.230,-3.242,-3.254,-3.266,-3.278,\n &-3.290,-3.302,-3.314,-3.325,-3.337,-3.349,-3.361,-3.373,-3.385,\n &-3.397,-3.409,-3.420,-3.432,-3.444,-3.456,-3.468,-3.480,-3.491,\n &-3.503,-3.515,-3.527,-3.539,-3.551,-3.562,-3.574,-3.586,-3.598,\n &-3.609,-3.621,-3.633,-3.645,-3.657,-3.668,-3.680,-3.692,-3.704,\n &-3.715,-3.727,-3.739,-3.751,-3.762,-3.774,-3.786,-3.798,-3.809,\n &-3.821,-3.833,-3.844,-3.856,-3.868,-3.880,-3.891,-3.903,-3.915,\n &-3.926,-3.938,-3.950,-3.961,-3.973,-3.985,-3.997,-4.008,-4.020,\n &-4.032,-4.043,-4.055\n & /\nC\nC *** MGNO32\nC\n DATA BNC22M/\n &-0.095,-0.197,-0.243,-0.273,-0.294,-0.311,-0.323,-0.333,-0.342,\n &-0.348,-0.353,-0.358,-0.361,-0.364,-0.366,-0.367,-0.368,-0.368,\n &-0.368,-0.368,-0.368,-0.367,-0.366,-0.364,-0.363,-0.361,-0.359,\n &-0.357,-0.355,-0.353,-0.351,-0.348,-0.346,-0.343,-0.340,-0.337,\n &-0.335,-0.332,-0.329,-0.326,-0.323,-0.320,-0.316,-0.313,-0.310,\n &-0.307,-0.304,-0.300,-0.297,-0.294,-0.290,-0.287,-0.284,-0.280,\n &-0.277,-0.274,-0.270,-0.267,-0.264,-0.260,-0.257,-0.253,-0.250,\n &-0.247,-0.243,-0.240,-0.236,-0.233,-0.229,-0.226,-0.222,-0.219,\n &-0.215,-0.211,-0.208,-0.204,-0.200,-0.197,-0.193,-0.189,-0.186,\n &-0.182,-0.178,-0.174,-0.170,-0.166,-0.162,-0.158,-0.154,-0.150,\n &-0.146,-0.142,-0.138,-0.134,-0.130,-0.125,-0.121,-0.117,-0.113,\n &-0.108,-0.104,-0.100,-0.095,-0.091,-0.086,-0.082,-0.077,-0.073,\n &-0.068,-0.064,-0.059,-0.055,-0.050,-0.045,-0.041,-0.036,-0.032,\n &-0.027,-0.022,-0.018,-0.013,-0.008,-0.004, 0.001, 0.006, 0.010,\n & 0.015, 0.020, 0.024, 0.029, 0.034, 0.039, 0.043, 0.048, 0.053,\n & 0.057, 0.062, 0.067, 0.071, 0.076, 0.081, 0.085, 0.090, 0.095,\n & 0.099, 0.104, 0.109, 0.113, 0.118, 0.122, 0.127, 0.132, 0.136,\n & 0.141, 0.145, 0.150, 0.155, 0.159, 0.164, 0.168, 0.173, 0.178,\n & 0.182, 0.187, 0.191, 0.196, 0.200, 0.205, 0.209, 0.214, 0.218,\n & 0.223, 0.227, 0.232, 0.236, 0.241, 0.245, 0.250, 0.254, 0.259,\n & 0.263, 0.268, 0.272, 0.276, 0.281, 0.285, 0.290, 0.294, 0.299,\n & 0.303, 0.307, 0.312, 0.316, 0.320, 0.325, 0.329, 0.333, 0.338,\n & 0.342, 0.346, 0.351, 0.355, 0.359, 0.364, 0.368, 0.372, 0.377,\n & 0.381, 0.385, 0.389, 0.394, 0.398, 0.402, 0.406, 0.411, 0.415,\n & 0.419, 0.423, 0.427, 0.432, 0.436, 0.440, 0.444, 0.448, 0.452,\n & 0.457, 0.461, 0.465, 0.469, 0.473, 0.477, 0.481, 0.485, 0.490,\n & 0.494, 0.498, 0.502, 0.506, 0.510, 0.514, 0.518, 0.522, 0.526,\n & 0.530, 0.534, 0.538, 0.542, 0.546, 0.550, 0.554, 0.558, 0.562,\n & 0.566, 0.570, 0.574, 0.578, 0.582, 0.586, 0.590, 0.594, 0.598,\n & 0.602, 0.605, 0.609, 0.613, 0.617, 0.621, 0.625, 0.629, 0.633,\n & 0.636, 0.640, 0.644, 0.648, 0.652, 0.656, 0.659, 0.663, 0.667,\n & 0.671, 0.674, 0.678, 0.682, 0.686, 0.690, 0.693, 0.697, 0.701,\n & 0.704, 0.708, 0.712, 0.716, 0.719, 0.723, 0.727, 0.730, 0.734,\n & 0.738, 0.741, 0.745, 0.749, 0.752, 0.756, 0.760, 0.763, 0.767,\n & 0.771, 0.774, 0.778, 0.781, 0.785, 0.789, 0.792, 0.796, 0.799,\n & 0.803, 0.806, 0.810, 0.813, 0.817, 0.821, 0.824, 0.828, 0.831,\n & 0.835, 0.838, 0.842, 0.845, 0.849, 0.852, 0.856, 0.859, 0.862,\n & 0.866, 0.869, 0.873, 0.876, 0.880, 0.883, 0.886, 0.890, 0.893,\n & 0.897, 0.900, 0.903, 0.907, 0.910, 0.914, 0.917, 0.920, 0.924,\n & 0.927, 0.930, 0.934, 0.937, 0.940, 0.944, 0.947, 0.950, 0.954,\n & 0.957, 0.960, 0.963, 0.967, 0.970, 0.973, 0.977, 0.980, 0.983,\n & 0.986, 0.990, 0.993, 0.996, 0.999, 1.003, 1.006, 1.009, 1.012,\n & 1.015, 1.019, 1.022, 1.025, 1.028, 1.031, 1.034, 1.038, 1.041,\n & 1.044, 1.047, 1.050, 1.053, 1.056, 1.060, 1.063, 1.066, 1.069,\n & 1.072, 1.075, 1.078, 1.081, 1.114, 1.144, 1.174, 1.203, 1.232,\n & 1.260, 1.288, 1.315, 1.342, 1.369, 1.395, 1.420, 1.446, 1.471,\n & 1.495, 1.519, 1.543, 1.567, 1.590, 1.613, 1.635, 1.657, 1.679,\n & 1.701, 1.722, 1.743, 1.764, 1.784, 1.804, 1.824, 1.844, 1.863,\n & 1.882, 1.901, 1.920, 1.938, 1.956, 1.974, 1.992, 2.009, 2.026,\n & 2.043, 2.060, 2.077, 2.093, 2.109, 2.125, 2.141, 2.157, 2.172,\n & 2.187, 2.202, 2.217, 2.232, 2.246, 2.261, 2.275, 2.289, 2.303,\n & 2.317, 2.330, 2.344, 2.357, 2.370, 2.383, 2.396, 2.408, 2.421,\n & 2.433, 2.445, 2.458, 2.470, 2.481, 2.493, 2.505, 2.516, 2.528,\n & 2.539, 2.550, 2.561, 2.572, 2.583, 2.593, 2.604, 2.614, 2.625,\n & 2.635, 2.645, 2.655, 2.665, 2.675, 2.684, 2.694, 2.704, 2.713,\n & 2.722, 2.732, 2.741, 2.750, 2.759, 2.768, 2.776, 2.785, 2.794,\n & 2.802, 2.811, 2.819, 2.827, 2.835, 2.843, 2.851, 2.859, 2.867,\n & 2.875, 2.883, 2.890, 2.898, 2.906, 2.913, 2.920, 2.928, 2.935,\n & 2.942, 2.949, 2.956, 2.963, 2.970, 2.977, 2.983, 2.990, 2.997,\n & 3.003, 3.010, 3.016, 3.022, 3.029, 3.035, 3.041, 3.047, 3.053,\n & 3.059, 3.065, 3.071, 3.077, 3.083, 3.089, 3.094, 3.100, 3.105,\n & 3.111, 3.116, 3.122, 3.127, 3.133, 3.138, 3.143, 3.148, 3.153,\n & 3.158, 3.163, 3.168\n & /\nC\nC *** MGCL2\nC\n DATA BNC23M/\n &-0.094,-0.194,-0.238,-0.266,-0.285,-0.299,-0.310,-0.319,-0.325,\n &-0.330,-0.333,-0.336,-0.337,-0.338,-0.338,-0.338,-0.337,-0.336,\n &-0.334,-0.332,-0.330,-0.328,-0.325,-0.322,-0.319,-0.315,-0.312,\n &-0.308,-0.304,-0.300,-0.296,-0.292,-0.288,-0.283,-0.279,-0.274,\n &-0.270,-0.265,-0.261,-0.256,-0.251,-0.247,-0.242,-0.237,-0.232,\n &-0.227,-0.222,-0.218,-0.213,-0.208,-0.203,-0.198,-0.193,-0.188,\n &-0.183,-0.178,-0.173,-0.168,-0.163,-0.158,-0.153,-0.148,-0.143,\n &-0.138,-0.133,-0.128,-0.123,-0.118,-0.113,-0.108,-0.103,-0.097,\n &-0.092,-0.087,-0.082,-0.077,-0.071,-0.066,-0.061,-0.055,-0.050,\n &-0.045,-0.039,-0.034,-0.028,-0.023,-0.017,-0.011,-0.006, 0.000,\n & 0.006, 0.011, 0.017, 0.023, 0.029, 0.035, 0.041, 0.047, 0.053,\n & 0.059, 0.065, 0.071, 0.077, 0.083, 0.089, 0.096, 0.102, 0.108,\n & 0.114, 0.121, 0.127, 0.133, 0.140, 0.146, 0.152, 0.159, 0.165,\n & 0.171, 0.178, 0.184, 0.191, 0.197, 0.203, 0.210, 0.216, 0.223,\n & 0.229, 0.236, 0.242, 0.249, 0.255, 0.261, 0.268, 0.274, 0.281,\n & 0.287, 0.293, 0.300, 0.306, 0.313, 0.319, 0.325, 0.332, 0.338,\n & 0.345, 0.351, 0.357, 0.364, 0.370, 0.376, 0.383, 0.389, 0.395,\n & 0.402, 0.408, 0.414, 0.421, 0.427, 0.433, 0.439, 0.446, 0.452,\n & 0.458, 0.464, 0.471, 0.477, 0.483, 0.489, 0.495, 0.502, 0.508,\n & 0.514, 0.520, 0.526, 0.532, 0.538, 0.545, 0.551, 0.557, 0.563,\n & 0.569, 0.575, 0.581, 0.587, 0.593, 0.599, 0.605, 0.611, 0.617,\n & 0.623, 0.629, 0.635, 0.641, 0.647, 0.653, 0.659, 0.665, 0.671,\n & 0.677, 0.683, 0.689, 0.694, 0.700, 0.706, 0.712, 0.718, 0.724,\n & 0.730, 0.735, 0.741, 0.747, 0.753, 0.759, 0.764, 0.770, 0.776,\n & 0.782, 0.787, 0.793, 0.799, 0.804, 0.810, 0.816, 0.822, 0.827,\n & 0.833, 0.838, 0.844, 0.850, 0.855, 0.861, 0.867, 0.872, 0.878,\n & 0.883, 0.889, 0.894, 0.900, 0.905, 0.911, 0.916, 0.922, 0.927,\n & 0.933, 0.938, 0.944, 0.949, 0.955, 0.960, 0.966, 0.971, 0.976,\n & 0.982, 0.987, 0.993, 0.998, 1.003, 1.009, 1.014, 1.019, 1.025,\n & 1.030, 1.035, 1.041, 1.046, 1.051, 1.056, 1.062, 1.067, 1.072,\n & 1.077, 1.083, 1.088, 1.093, 1.098, 1.103, 1.109, 1.114, 1.119,\n & 1.124, 1.129, 1.134, 1.139, 1.144, 1.150, 1.155, 1.160, 1.165,\n & 1.170, 1.175, 1.180, 1.185, 1.190, 1.195, 1.200, 1.205, 1.210,\n & 1.215, 1.220, 1.225, 1.230, 1.235, 1.240, 1.245, 1.250, 1.255,\n & 1.260, 1.264, 1.269, 1.274, 1.279, 1.284, 1.289, 1.294, 1.299,\n & 1.303, 1.308, 1.313, 1.318, 1.323, 1.327, 1.332, 1.337, 1.342,\n & 1.346, 1.351, 1.356, 1.361, 1.365, 1.370, 1.375, 1.380, 1.384,\n & 1.389, 1.394, 1.398, 1.403, 1.408, 1.412, 1.417, 1.421, 1.426,\n & 1.431, 1.435, 1.440, 1.444, 1.449, 1.454, 1.458, 1.463, 1.467,\n & 1.472, 1.476, 1.481, 1.485, 1.490, 1.494, 1.499, 1.503, 1.508,\n & 1.512, 1.517, 1.521, 1.526, 1.530, 1.535, 1.539, 1.543, 1.548,\n & 1.552, 1.557, 1.561, 1.565, 1.570, 1.574, 1.578, 1.583, 1.587,\n & 1.591, 1.596, 1.600, 1.604, 1.609, 1.613, 1.617, 1.622, 1.626,\n & 1.630, 1.634, 1.639, 1.643, 1.647, 1.651, 1.656, 1.660, 1.664,\n & 1.668, 1.672, 1.677, 1.681, 1.726, 1.766, 1.807, 1.846, 1.885,\n & 1.923, 1.961, 1.998, 2.034, 2.070, 2.105, 2.140, 2.175, 2.208,\n & 2.242, 2.275, 2.307, 2.339, 2.370, 2.401, 2.432, 2.462, 2.492,\n & 2.521, 2.550, 2.579, 2.607, 2.635, 2.662, 2.690, 2.716, 2.743,\n & 2.769, 2.795, 2.820, 2.845, 2.870, 2.895, 2.919, 2.943, 2.966,\n & 2.990, 3.013, 3.036, 3.058, 3.081, 3.103, 3.124, 3.146, 3.167,\n & 3.188, 3.209, 3.230, 3.250, 3.270, 3.290, 3.310, 3.329, 3.349,\n & 3.368, 3.387, 3.405, 3.424, 3.442, 3.460, 3.478, 3.496, 3.513,\n & 3.531, 3.548, 3.565, 3.582, 3.599, 3.615, 3.631, 3.648, 3.664,\n & 3.680, 3.695, 3.711, 3.726, 3.742, 3.757, 3.772, 3.787, 3.801,\n & 3.816, 3.830, 3.845, 3.859, 3.873, 3.887, 3.901, 3.914, 3.928,\n & 3.941, 3.955, 3.968, 3.981, 3.994, 4.007, 4.019, 4.032, 4.044,\n & 4.057, 4.069, 4.081, 4.093, 4.105, 4.117, 4.129, 4.141, 4.152,\n & 4.164, 4.175, 4.186, 4.197, 4.209, 4.220, 4.230, 4.241, 4.252,\n & 4.263, 4.273, 4.284, 4.294, 4.304, 4.314, 4.324, 4.335, 4.344,\n & 4.354, 4.364, 4.374, 4.383, 4.393, 4.402, 4.412, 4.421, 4.430,\n & 4.440, 4.449, 4.458, 4.467, 4.476, 4.484, 4.493, 4.502, 4.510,\n & 4.519, 4.527, 4.536, 4.544, 4.553, 4.561, 4.569, 4.577, 4.585,\n & 4.593, 4.601, 4.609\n & /\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE KM273\nC *** CALCULATES BINARY ACTIVITY COEFFICIENTS BY KUSIK-MEISSNER METHOD.\nC THE COMPUTATIONS HAVE BEEN PERFORMED AND THE RESULTS ARE STORED IN\nC LOOKUP TABLES. THE IONIC ACTIVITY 'IN' IS INPUT, AND THE ARRAY\nC 'BINARR' IS RETURNED WITH THE BINARY COEFFICIENTS.\nC\nC TEMPERATURE IS 273K\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE KM273 (IONIC, BINARR)\nC\nC *** Common block definition\nC\n COMMON /KMC273/\n &BNC01M( 561),BNC02M( 561),BNC03M( 561),BNC04M( 561),\n &BNC05M( 561),BNC06M( 561),BNC07M( 561),BNC08M( 561),\n &BNC09M( 561),BNC10M( 561),BNC11M( 561),BNC12M( 561),\n &BNC13M( 561),BNC14M( 561),BNC15M( 561),BNC16M( 561),\n &BNC17M( 561),BNC18M( 561),BNC19M( 561),BNC20M( 561),\n &BNC21M( 561),BNC22M( 561),BNC23M( 561)\n REAL Binarr (23), Ionic\nC\nC *** Find position in arrays for bincoef\nC\n IF (Ionic.LE. 0.200000E+02) THEN\n ipos = MIN(NINT( 0.200000E+02*Ionic) + 1, 400)\n ELSE\n ipos = 400+NINT( 0.200000E+01*Ionic- 0.400000E+02)\n ENDIF\n ipos = min(ipos, 561)\nC\nC *** Assign values to return array\nC\n Binarr(01) = BNC01M(ipos)\n Binarr(02) = BNC02M(ipos)\n Binarr(03) = BNC03M(ipos)\n Binarr(04) = BNC04M(ipos)\n Binarr(05) = BNC05M(ipos)\n Binarr(06) = BNC06M(ipos)\n Binarr(07) = BNC07M(ipos)\n Binarr(08) = BNC08M(ipos)\n Binarr(09) = BNC09M(ipos)\n Binarr(10) = BNC10M(ipos)\n Binarr(11) = BNC11M(ipos)\n Binarr(12) = BNC12M(ipos)\n Binarr(13) = BNC13M(ipos)\n Binarr(14) = BNC14M(ipos)\n Binarr(15) = BNC15M(ipos)\n Binarr(16) = BNC16M(ipos)\n Binarr(17) = BNC17M(ipos)\n Binarr(18) = BNC18M(ipos)\n Binarr(19) = BNC19M(ipos)\n Binarr(20) = BNC20M(ipos)\n Binarr(21) = BNC21M(ipos)\n Binarr(22) = BNC22M(ipos)\n Binarr(23) = BNC23M(ipos)\nC\nC *** Return point ; End of subroutine\nC\n RETURN\n END\n\n\n BLOCK DATA KMCF273\nC\nC *** Common block definition\nC\n COMMON /KMC273/\n &BNC01M( 561),BNC02M( 561),BNC03M( 561),BNC04M( 561),\n &BNC05M( 561),BNC06M( 561),BNC07M( 561),BNC08M( 561),\n &BNC09M( 561),BNC10M( 561),BNC11M( 561),BNC12M( 561),\n &BNC13M( 561),BNC14M( 561),BNC15M( 561),BNC16M( 561),\n &BNC17M( 561),BNC18M( 561),BNC19M( 561),BNC20M( 561),\n &BNC21M( 561),BNC22M( 561),BNC23M( 561)\n\nC\nC *** NaCl\nC\n DATA BNC01M/\n &-0.046,-0.097,-0.119,-0.134,-0.145,-0.153,-0.160,-0.165,-0.169,\n &-0.173,-0.176,-0.178,-0.180,-0.181,-0.182,-0.183,-0.184,-0.184,\n &-0.185,-0.185,-0.185,-0.185,-0.184,-0.184,-0.183,-0.183,-0.182,\n &-0.181,-0.181,-0.180,-0.179,-0.178,-0.177,-0.176,-0.174,-0.173,\n &-0.172,-0.171,-0.170,-0.168,-0.167,-0.166,-0.164,-0.163,-0.162,\n &-0.160,-0.159,-0.157,-0.156,-0.155,-0.153,-0.152,-0.150,-0.149,\n &-0.147,-0.146,-0.144,-0.143,-0.141,-0.140,-0.138,-0.137,-0.135,\n &-0.134,-0.132,-0.131,-0.129,-0.128,-0.126,-0.124,-0.123,-0.121,\n &-0.120,-0.118,-0.116,-0.115,-0.113,-0.112,-0.110,-0.108,-0.107,\n &-0.105,-0.103,-0.101,-0.100,-0.098,-0.096,-0.094,-0.093,-0.091,\n &-0.089,-0.087,-0.085,-0.083,-0.081,-0.080,-0.078,-0.076,-0.074,\n &-0.072,-0.070,-0.068,-0.066,-0.064,-0.062,-0.060,-0.058,-0.056,\n &-0.054,-0.052,-0.050,-0.048,-0.046,-0.044,-0.042,-0.039,-0.037,\n &-0.035,-0.033,-0.031,-0.029,-0.027,-0.025,-0.023,-0.021,-0.018,\n &-0.016,-0.014,-0.012,-0.010,-0.008,-0.006,-0.004,-0.002, 0.001,\n & 0.003, 0.005, 0.007, 0.009, 0.011, 0.013, 0.015, 0.017, 0.019,\n & 0.022, 0.024, 0.026, 0.028, 0.030, 0.032, 0.034, 0.036, 0.038,\n & 0.040, 0.042, 0.045, 0.047, 0.049, 0.051, 0.053, 0.055, 0.057,\n & 0.059, 0.061, 0.063, 0.065, 0.067, 0.069, 0.071, 0.073, 0.075,\n & 0.078, 0.080, 0.082, 0.084, 0.086, 0.088, 0.090, 0.092, 0.094,\n & 0.096, 0.098, 0.100, 0.102, 0.104, 0.106, 0.108, 0.110, 0.112,\n & 0.114, 0.116, 0.118, 0.120, 0.122, 0.124, 0.126, 0.128, 0.130,\n & 0.132, 0.134, 0.136, 0.138, 0.140, 0.142, 0.143, 0.145, 0.147,\n & 0.149, 0.151, 0.153, 0.155, 0.157, 0.159, 0.161, 0.163, 0.165,\n & 0.167, 0.169, 0.171, 0.172, 0.174, 0.176, 0.178, 0.180, 0.182,\n & 0.184, 0.186, 0.188, 0.190, 0.191, 0.193, 0.195, 0.197, 0.199,\n & 0.201, 0.203, 0.205, 0.206, 0.208, 0.210, 0.212, 0.214, 0.216,\n & 0.218, 0.219, 0.221, 0.223, 0.225, 0.227, 0.229, 0.230, 0.232,\n & 0.234, 0.236, 0.238, 0.239, 0.241, 0.243, 0.245, 0.247, 0.248,\n & 0.250, 0.252, 0.254, 0.256, 0.257, 0.259, 0.261, 0.263, 0.265,\n & 0.266, 0.268, 0.270, 0.272, 0.273, 0.275, 0.277, 0.279, 0.280,\n & 0.282, 0.284, 0.286, 0.287, 0.289, 0.291, 0.292, 0.294, 0.296,\n & 0.298, 0.299, 0.301, 0.303, 0.305, 0.306, 0.308, 0.310, 0.311,\n & 0.313, 0.315, 0.316, 0.318, 0.320, 0.321, 0.323, 0.325, 0.326,\n & 0.328, 0.330, 0.331, 0.333, 0.335, 0.336, 0.338, 0.340, 0.341,\n & 0.343, 0.345, 0.346, 0.348, 0.350, 0.351, 0.353, 0.355, 0.356,\n & 0.358, 0.359, 0.361, 0.363, 0.364, 0.366, 0.367, 0.369, 0.371,\n & 0.372, 0.374, 0.375, 0.377, 0.379, 0.380, 0.382, 0.383, 0.385,\n & 0.387, 0.388, 0.390, 0.391, 0.393, 0.394, 0.396, 0.398, 0.399,\n & 0.401, 0.402, 0.404, 0.405, 0.407, 0.408, 0.410, 0.412, 0.413,\n & 0.415, 0.416, 0.418, 0.419, 0.421, 0.422, 0.424, 0.425, 0.427,\n & 0.428, 0.430, 0.431, 0.433, 0.434, 0.436, 0.437, 0.439, 0.440,\n & 0.442, 0.443, 0.445, 0.446, 0.448, 0.449, 0.451, 0.452, 0.454,\n & 0.455, 0.457, 0.458, 0.460, 0.461, 0.463, 0.464, 0.465, 0.467,\n & 0.468, 0.470, 0.471, 0.473, 0.488, 0.502, 0.516, 0.530, 0.544,\n & 0.557, 0.570, 0.583, 0.596, 0.608, 0.621, 0.633, 0.645, 0.657,\n & 0.669, 0.680, 0.692, 0.703, 0.714, 0.725, 0.736, 0.747, 0.758,\n & 0.768, 0.778, 0.789, 0.799, 0.809, 0.819, 0.828, 0.838, 0.847,\n & 0.857, 0.866, 0.875, 0.884, 0.893, 0.902, 0.911, 0.920, 0.928,\n & 0.937, 0.945, 0.954, 0.962, 0.970, 0.978, 0.986, 0.994, 1.002,\n & 1.010, 1.017, 1.025, 1.032, 1.040, 1.047, 1.054, 1.062, 1.069,\n & 1.076, 1.083, 1.090, 1.097, 1.103, 1.110, 1.117, 1.124, 1.130,\n & 1.137, 1.143, 1.149, 1.156, 1.162, 1.168, 1.174, 1.181, 1.187,\n & 1.193, 1.199, 1.205, 1.210, 1.216, 1.222, 1.228, 1.233, 1.239,\n & 1.245, 1.250, 1.255, 1.261, 1.266, 1.272, 1.277, 1.282, 1.287,\n & 1.293, 1.298, 1.303, 1.308, 1.313, 1.318, 1.323, 1.328, 1.333,\n & 1.337, 1.342, 1.347, 1.352, 1.356, 1.361, 1.366, 1.370, 1.375,\n & 1.379, 1.384, 1.388, 1.392, 1.397, 1.401, 1.406, 1.410, 1.414,\n & 1.418, 1.422, 1.427, 1.431, 1.435, 1.439, 1.443, 1.447, 1.451,\n & 1.455, 1.459, 1.463, 1.467, 1.470, 1.474, 1.478, 1.482, 1.486,\n & 1.489, 1.493, 1.497, 1.500, 1.504, 1.508, 1.511, 1.515, 1.518,\n & 1.522, 1.525, 1.529, 1.532, 1.536, 1.539, 1.542, 1.546, 1.549,\n & 1.552, 1.556, 1.559\n & /\nC\nC *** Na2SO4\nC\n DATA BNC02M/\n &-0.096,-0.208,-0.264,-0.304,-0.335,-0.361,-0.383,-0.403,-0.420,\n &-0.436,-0.450,-0.464,-0.476,-0.487,-0.498,-0.508,-0.517,-0.526,\n &-0.535,-0.543,-0.551,-0.558,-0.566,-0.572,-0.579,-0.586,-0.592,\n &-0.598,-0.603,-0.609,-0.614,-0.620,-0.625,-0.630,-0.635,-0.639,\n &-0.644,-0.649,-0.653,-0.657,-0.661,-0.666,-0.670,-0.674,-0.677,\n &-0.681,-0.685,-0.689,-0.692,-0.696,-0.699,-0.702,-0.706,-0.709,\n &-0.712,-0.715,-0.718,-0.721,-0.725,-0.727,-0.730,-0.733,-0.736,\n &-0.739,-0.742,-0.744,-0.747,-0.750,-0.752,-0.755,-0.757,-0.760,\n &-0.763,-0.765,-0.767,-0.770,-0.772,-0.775,-0.777,-0.779,-0.782,\n &-0.784,-0.786,-0.788,-0.791,-0.793,-0.795,-0.797,-0.799,-0.801,\n &-0.803,-0.806,-0.808,-0.810,-0.812,-0.814,-0.816,-0.818,-0.820,\n &-0.822,-0.824,-0.826,-0.827,-0.829,-0.831,-0.833,-0.835,-0.837,\n &-0.839,-0.841,-0.842,-0.844,-0.846,-0.848,-0.850,-0.851,-0.853,\n &-0.855,-0.857,-0.858,-0.860,-0.862,-0.863,-0.865,-0.867,-0.868,\n &-0.870,-0.872,-0.873,-0.875,-0.877,-0.878,-0.880,-0.881,-0.883,\n &-0.885,-0.886,-0.888,-0.889,-0.891,-0.892,-0.894,-0.895,-0.897,\n &-0.898,-0.900,-0.901,-0.903,-0.904,-0.906,-0.907,-0.909,-0.910,\n &-0.912,-0.913,-0.915,-0.916,-0.917,-0.919,-0.920,-0.922,-0.923,\n &-0.924,-0.926,-0.927,-0.928,-0.930,-0.931,-0.933,-0.934,-0.935,\n &-0.937,-0.938,-0.939,-0.941,-0.942,-0.943,-0.944,-0.946,-0.947,\n &-0.948,-0.950,-0.951,-0.952,-0.953,-0.955,-0.956,-0.957,-0.958,\n &-0.960,-0.961,-0.962,-0.963,-0.965,-0.966,-0.967,-0.968,-0.969,\n &-0.971,-0.972,-0.973,-0.974,-0.975,-0.977,-0.978,-0.979,-0.980,\n &-0.981,-0.982,-0.984,-0.985,-0.986,-0.987,-0.988,-0.989,-0.990,\n &-0.992,-0.993,-0.994,-0.995,-0.996,-0.997,-0.998,-0.999,-1.001,\n &-1.002,-1.003,-1.004,-1.005,-1.006,-1.007,-1.008,-1.009,-1.010,\n &-1.011,-1.012,-1.014,-1.015,-1.016,-1.017,-1.018,-1.019,-1.020,\n &-1.021,-1.022,-1.023,-1.024,-1.025,-1.026,-1.027,-1.028,-1.029,\n &-1.030,-1.031,-1.032,-1.033,-1.034,-1.035,-1.036,-1.037,-1.038,\n &-1.039,-1.040,-1.041,-1.042,-1.043,-1.044,-1.045,-1.046,-1.047,\n &-1.048,-1.049,-1.050,-1.051,-1.052,-1.053,-1.054,-1.055,-1.056,\n &-1.057,-1.058,-1.059,-1.060,-1.061,-1.062,-1.063,-1.064,-1.065,\n &-1.066,-1.066,-1.067,-1.068,-1.069,-1.070,-1.071,-1.072,-1.073,\n &-1.074,-1.075,-1.076,-1.077,-1.078,-1.079,-1.079,-1.080,-1.081,\n &-1.082,-1.083,-1.084,-1.085,-1.086,-1.087,-1.088,-1.088,-1.089,\n &-1.090,-1.091,-1.092,-1.093,-1.094,-1.095,-1.096,-1.096,-1.097,\n &-1.098,-1.099,-1.100,-1.101,-1.102,-1.102,-1.103,-1.104,-1.105,\n &-1.106,-1.107,-1.108,-1.109,-1.109,-1.110,-1.111,-1.112,-1.113,\n &-1.114,-1.114,-1.115,-1.116,-1.117,-1.118,-1.119,-1.120,-1.120,\n &-1.121,-1.122,-1.123,-1.124,-1.124,-1.125,-1.126,-1.127,-1.128,\n &-1.129,-1.129,-1.130,-1.131,-1.132,-1.133,-1.134,-1.134,-1.135,\n &-1.136,-1.137,-1.138,-1.138,-1.139,-1.140,-1.141,-1.142,-1.142,\n &-1.143,-1.144,-1.145,-1.146,-1.146,-1.147,-1.148,-1.149,-1.150,\n &-1.150,-1.151,-1.152,-1.153,-1.153,-1.154,-1.155,-1.156,-1.157,\n &-1.157,-1.158,-1.159,-1.160,-1.168,-1.175,-1.183,-1.190,-1.198,\n &-1.205,-1.212,-1.219,-1.226,-1.233,-1.239,-1.246,-1.253,-1.259,\n &-1.266,-1.272,-1.279,-1.285,-1.291,-1.298,-1.304,-1.310,-1.316,\n &-1.322,-1.328,-1.334,-1.340,-1.346,-1.352,-1.357,-1.363,-1.369,\n &-1.374,-1.380,-1.386,-1.391,-1.397,-1.402,-1.408,-1.413,-1.419,\n &-1.424,-1.429,-1.435,-1.440,-1.445,-1.450,-1.456,-1.461,-1.466,\n &-1.471,-1.476,-1.481,-1.486,-1.491,-1.496,-1.501,-1.506,-1.511,\n &-1.516,-1.521,-1.526,-1.531,-1.536,-1.541,-1.545,-1.550,-1.555,\n &-1.560,-1.564,-1.569,-1.574,-1.579,-1.583,-1.588,-1.593,-1.597,\n &-1.602,-1.606,-1.611,-1.616,-1.620,-1.625,-1.629,-1.634,-1.638,\n &-1.643,-1.647,-1.652,-1.656,-1.661,-1.665,-1.670,-1.674,-1.678,\n &-1.683,-1.687,-1.692,-1.696,-1.700,-1.705,-1.709,-1.713,-1.718,\n &-1.722,-1.726,-1.730,-1.735,-1.739,-1.743,-1.747,-1.752,-1.756,\n &-1.760,-1.764,-1.768,-1.773,-1.777,-1.781,-1.785,-1.789,-1.793,\n &-1.798,-1.802,-1.806,-1.810,-1.814,-1.818,-1.822,-1.826,-1.830,\n &-1.834,-1.838,-1.843,-1.847,-1.851,-1.855,-1.859,-1.863,-1.867,\n &-1.871,-1.875,-1.879,-1.883,-1.887,-1.891,-1.895,-1.899,-1.902,\n &-1.906,-1.910,-1.914,-1.918,-1.922,-1.926,-1.930,-1.934,-1.938,\n &-1.942,-1.946,-1.949\n & /\nC\nC *** NaNO3\nC\n DATA BNC03M/\n &-0.048,-0.105,-0.133,-0.154,-0.170,-0.183,-0.195,-0.205,-0.214,\n &-0.223,-0.230,-0.237,-0.244,-0.250,-0.256,-0.261,-0.266,-0.271,\n &-0.276,-0.280,-0.284,-0.289,-0.292,-0.296,-0.300,-0.304,-0.307,\n &-0.310,-0.314,-0.317,-0.320,-0.323,-0.326,-0.328,-0.331,-0.334,\n &-0.337,-0.339,-0.342,-0.344,-0.347,-0.349,-0.351,-0.353,-0.356,\n &-0.358,-0.360,-0.362,-0.364,-0.366,-0.368,-0.370,-0.372,-0.374,\n &-0.376,-0.378,-0.379,-0.381,-0.383,-0.385,-0.386,-0.388,-0.390,\n &-0.391,-0.393,-0.395,-0.396,-0.398,-0.399,-0.401,-0.402,-0.404,\n &-0.405,-0.407,-0.408,-0.410,-0.411,-0.413,-0.414,-0.415,-0.417,\n &-0.418,-0.420,-0.421,-0.422,-0.424,-0.425,-0.426,-0.427,-0.429,\n &-0.430,-0.431,-0.433,-0.434,-0.435,-0.436,-0.438,-0.439,-0.440,\n &-0.441,-0.442,-0.444,-0.445,-0.446,-0.447,-0.448,-0.449,-0.451,\n &-0.452,-0.453,-0.454,-0.455,-0.456,-0.457,-0.459,-0.460,-0.461,\n &-0.462,-0.463,-0.464,-0.465,-0.466,-0.467,-0.468,-0.469,-0.470,\n &-0.472,-0.473,-0.474,-0.475,-0.476,-0.477,-0.478,-0.479,-0.480,\n &-0.481,-0.482,-0.483,-0.484,-0.485,-0.486,-0.487,-0.488,-0.489,\n &-0.490,-0.490,-0.491,-0.492,-0.493,-0.494,-0.495,-0.496,-0.497,\n &-0.498,-0.499,-0.500,-0.501,-0.502,-0.503,-0.503,-0.504,-0.505,\n &-0.506,-0.507,-0.508,-0.509,-0.510,-0.510,-0.511,-0.512,-0.513,\n &-0.514,-0.515,-0.516,-0.516,-0.517,-0.518,-0.519,-0.520,-0.521,\n &-0.521,-0.522,-0.523,-0.524,-0.525,-0.526,-0.526,-0.527,-0.528,\n &-0.529,-0.530,-0.530,-0.531,-0.532,-0.533,-0.534,-0.534,-0.535,\n &-0.536,-0.537,-0.537,-0.538,-0.539,-0.540,-0.540,-0.541,-0.542,\n &-0.543,-0.543,-0.544,-0.545,-0.546,-0.546,-0.547,-0.548,-0.549,\n &-0.549,-0.550,-0.551,-0.552,-0.552,-0.553,-0.554,-0.554,-0.555,\n &-0.556,-0.557,-0.557,-0.558,-0.559,-0.559,-0.560,-0.561,-0.562,\n &-0.562,-0.563,-0.564,-0.564,-0.565,-0.566,-0.566,-0.567,-0.568,\n &-0.568,-0.569,-0.570,-0.570,-0.571,-0.572,-0.572,-0.573,-0.574,\n &-0.574,-0.575,-0.576,-0.576,-0.577,-0.578,-0.578,-0.579,-0.580,\n &-0.580,-0.581,-0.582,-0.582,-0.583,-0.584,-0.584,-0.585,-0.585,\n &-0.586,-0.587,-0.587,-0.588,-0.589,-0.589,-0.590,-0.591,-0.591,\n &-0.592,-0.592,-0.593,-0.594,-0.594,-0.595,-0.595,-0.596,-0.597,\n &-0.597,-0.598,-0.599,-0.599,-0.600,-0.600,-0.601,-0.602,-0.602,\n &-0.603,-0.603,-0.604,-0.604,-0.605,-0.606,-0.606,-0.607,-0.607,\n &-0.608,-0.609,-0.609,-0.610,-0.610,-0.611,-0.612,-0.612,-0.613,\n &-0.613,-0.614,-0.614,-0.615,-0.616,-0.616,-0.617,-0.617,-0.618,\n &-0.618,-0.619,-0.619,-0.620,-0.621,-0.621,-0.622,-0.622,-0.623,\n &-0.623,-0.624,-0.624,-0.625,-0.626,-0.626,-0.627,-0.627,-0.628,\n &-0.628,-0.629,-0.629,-0.630,-0.630,-0.631,-0.632,-0.632,-0.633,\n &-0.633,-0.634,-0.634,-0.635,-0.635,-0.636,-0.636,-0.637,-0.637,\n &-0.638,-0.638,-0.639,-0.640,-0.640,-0.641,-0.641,-0.642,-0.642,\n &-0.643,-0.643,-0.644,-0.644,-0.645,-0.645,-0.646,-0.646,-0.647,\n &-0.647,-0.648,-0.648,-0.649,-0.649,-0.650,-0.650,-0.651,-0.651,\n &-0.652,-0.652,-0.653,-0.653,-0.654,-0.654,-0.655,-0.655,-0.656,\n &-0.656,-0.657,-0.657,-0.658,-0.663,-0.668,-0.673,-0.677,-0.682,\n &-0.687,-0.691,-0.696,-0.700,-0.704,-0.709,-0.713,-0.717,-0.721,\n &-0.725,-0.729,-0.733,-0.737,-0.741,-0.745,-0.749,-0.753,-0.757,\n &-0.760,-0.764,-0.768,-0.771,-0.775,-0.779,-0.782,-0.786,-0.789,\n &-0.793,-0.796,-0.799,-0.803,-0.806,-0.810,-0.813,-0.816,-0.819,\n &-0.823,-0.826,-0.829,-0.832,-0.836,-0.839,-0.842,-0.845,-0.848,\n &-0.851,-0.854,-0.857,-0.860,-0.863,-0.866,-0.869,-0.872,-0.875,\n &-0.878,-0.881,-0.884,-0.887,-0.890,-0.893,-0.895,-0.898,-0.901,\n &-0.904,-0.907,-0.909,-0.912,-0.915,-0.918,-0.920,-0.923,-0.926,\n &-0.929,-0.931,-0.934,-0.937,-0.939,-0.942,-0.945,-0.947,-0.950,\n &-0.952,-0.955,-0.958,-0.960,-0.963,-0.965,-0.968,-0.971,-0.973,\n &-0.976,-0.978,-0.981,-0.983,-0.986,-0.988,-0.991,-0.993,-0.996,\n &-0.998,-1.000,-1.003,-1.005,-1.008,-1.010,-1.013,-1.015,-1.017,\n &-1.020,-1.022,-1.025,-1.027,-1.029,-1.032,-1.034,-1.036,-1.039,\n &-1.041,-1.043,-1.046,-1.048,-1.050,-1.053,-1.055,-1.057,-1.060,\n &-1.062,-1.064,-1.067,-1.069,-1.071,-1.073,-1.076,-1.078,-1.080,\n &-1.082,-1.085,-1.087,-1.089,-1.091,-1.093,-1.096,-1.098,-1.100,\n &-1.102,-1.105,-1.107,-1.109,-1.111,-1.113,-1.115,-1.118,-1.120,\n &-1.122,-1.124,-1.126\n & /\nC\nC *** (NH4)2SO4\nC\n DATA BNC04M/\n &-0.096,-0.208,-0.265,-0.305,-0.337,-0.363,-0.385,-0.405,-0.423,\n &-0.439,-0.453,-0.467,-0.479,-0.491,-0.502,-0.512,-0.522,-0.531,\n &-0.540,-0.548,-0.556,-0.564,-0.571,-0.578,-0.585,-0.592,-0.598,\n &-0.605,-0.610,-0.616,-0.622,-0.627,-0.633,-0.638,-0.643,-0.648,\n &-0.653,-0.657,-0.662,-0.666,-0.671,-0.675,-0.679,-0.683,-0.688,\n &-0.691,-0.695,-0.699,-0.703,-0.707,-0.710,-0.714,-0.717,-0.721,\n &-0.724,-0.727,-0.731,-0.734,-0.737,-0.740,-0.743,-0.746,-0.749,\n &-0.752,-0.755,-0.758,-0.761,-0.763,-0.766,-0.769,-0.772,-0.774,\n &-0.777,-0.780,-0.782,-0.785,-0.787,-0.790,-0.792,-0.795,-0.797,\n &-0.799,-0.802,-0.804,-0.807,-0.809,-0.811,-0.814,-0.816,-0.818,\n &-0.820,-0.823,-0.825,-0.827,-0.829,-0.831,-0.833,-0.836,-0.838,\n &-0.840,-0.842,-0.844,-0.846,-0.848,-0.850,-0.852,-0.854,-0.856,\n &-0.858,-0.860,-0.862,-0.864,-0.866,-0.868,-0.870,-0.872,-0.874,\n &-0.875,-0.877,-0.879,-0.881,-0.883,-0.885,-0.887,-0.888,-0.890,\n &-0.892,-0.894,-0.895,-0.897,-0.899,-0.901,-0.902,-0.904,-0.906,\n &-0.908,-0.909,-0.911,-0.913,-0.914,-0.916,-0.918,-0.919,-0.921,\n &-0.923,-0.924,-0.926,-0.927,-0.929,-0.931,-0.932,-0.934,-0.935,\n &-0.937,-0.938,-0.940,-0.942,-0.943,-0.945,-0.946,-0.948,-0.949,\n &-0.951,-0.952,-0.954,-0.955,-0.957,-0.958,-0.960,-0.961,-0.962,\n &-0.964,-0.965,-0.967,-0.968,-0.970,-0.971,-0.972,-0.974,-0.975,\n &-0.977,-0.978,-0.979,-0.981,-0.982,-0.984,-0.985,-0.986,-0.988,\n &-0.989,-0.990,-0.992,-0.993,-0.994,-0.996,-0.997,-0.998,-1.000,\n &-1.001,-1.002,-1.004,-1.005,-1.006,-1.007,-1.009,-1.010,-1.011,\n &-1.013,-1.014,-1.015,-1.016,-1.018,-1.019,-1.020,-1.021,-1.023,\n &-1.024,-1.025,-1.026,-1.027,-1.029,-1.030,-1.031,-1.032,-1.034,\n &-1.035,-1.036,-1.037,-1.038,-1.039,-1.041,-1.042,-1.043,-1.044,\n &-1.045,-1.047,-1.048,-1.049,-1.050,-1.051,-1.052,-1.053,-1.055,\n &-1.056,-1.057,-1.058,-1.059,-1.060,-1.061,-1.063,-1.064,-1.065,\n &-1.066,-1.067,-1.068,-1.069,-1.070,-1.071,-1.073,-1.074,-1.075,\n &-1.076,-1.077,-1.078,-1.079,-1.080,-1.081,-1.082,-1.083,-1.084,\n &-1.086,-1.087,-1.088,-1.089,-1.090,-1.091,-1.092,-1.093,-1.094,\n &-1.095,-1.096,-1.097,-1.098,-1.099,-1.100,-1.101,-1.102,-1.103,\n &-1.104,-1.105,-1.106,-1.107,-1.108,-1.109,-1.110,-1.111,-1.112,\n &-1.114,-1.115,-1.116,-1.117,-1.118,-1.119,-1.119,-1.120,-1.121,\n &-1.122,-1.123,-1.124,-1.125,-1.126,-1.127,-1.128,-1.129,-1.130,\n &-1.131,-1.132,-1.133,-1.134,-1.135,-1.136,-1.137,-1.138,-1.139,\n &-1.140,-1.141,-1.142,-1.143,-1.144,-1.145,-1.146,-1.147,-1.147,\n &-1.148,-1.149,-1.150,-1.151,-1.152,-1.153,-1.154,-1.155,-1.156,\n &-1.157,-1.158,-1.159,-1.160,-1.160,-1.161,-1.162,-1.163,-1.164,\n &-1.165,-1.166,-1.167,-1.168,-1.169,-1.169,-1.170,-1.171,-1.172,\n &-1.173,-1.174,-1.175,-1.176,-1.177,-1.178,-1.178,-1.179,-1.180,\n &-1.181,-1.182,-1.183,-1.184,-1.185,-1.185,-1.186,-1.187,-1.188,\n &-1.189,-1.190,-1.191,-1.191,-1.192,-1.193,-1.194,-1.195,-1.196,\n &-1.197,-1.198,-1.198,-1.199,-1.200,-1.201,-1.202,-1.203,-1.203,\n &-1.204,-1.205,-1.206,-1.207,-1.216,-1.224,-1.232,-1.240,-1.248,\n &-1.256,-1.263,-1.271,-1.279,-1.286,-1.293,-1.301,-1.308,-1.315,\n &-1.322,-1.329,-1.336,-1.343,-1.349,-1.356,-1.363,-1.369,-1.376,\n &-1.382,-1.389,-1.395,-1.402,-1.408,-1.414,-1.420,-1.427,-1.433,\n &-1.439,-1.445,-1.451,-1.457,-1.463,-1.468,-1.474,-1.480,-1.486,\n &-1.492,-1.497,-1.503,-1.509,-1.514,-1.520,-1.525,-1.531,-1.536,\n &-1.542,-1.547,-1.553,-1.558,-1.563,-1.569,-1.574,-1.579,-1.585,\n &-1.590,-1.595,-1.600,-1.605,-1.611,-1.616,-1.621,-1.626,-1.631,\n &-1.636,-1.641,-1.646,-1.651,-1.656,-1.661,-1.666,-1.671,-1.676,\n &-1.681,-1.685,-1.690,-1.695,-1.700,-1.705,-1.710,-1.714,-1.719,\n &-1.724,-1.729,-1.733,-1.738,-1.743,-1.747,-1.752,-1.757,-1.761,\n &-1.766,-1.770,-1.775,-1.780,-1.784,-1.789,-1.793,-1.798,-1.802,\n &-1.807,-1.811,-1.816,-1.820,-1.825,-1.829,-1.834,-1.838,-1.842,\n &-1.847,-1.851,-1.856,-1.860,-1.864,-1.869,-1.873,-1.877,-1.882,\n &-1.886,-1.890,-1.895,-1.899,-1.903,-1.908,-1.912,-1.916,-1.920,\n &-1.925,-1.929,-1.933,-1.937,-1.941,-1.946,-1.950,-1.954,-1.958,\n &-1.962,-1.966,-1.971,-1.975,-1.979,-1.983,-1.987,-1.991,-1.995,\n &-2.000,-2.004,-2.008,-2.012,-2.016,-2.020,-2.024,-2.028,-2.032,\n &-2.036,-2.040,-2.044\n & /\nC\nC *** NH4NO3\nC\n DATA BNC05M/\n &-0.048,-0.108,-0.138,-0.161,-0.179,-0.194,-0.208,-0.220,-0.231,\n &-0.241,-0.250,-0.259,-0.267,-0.275,-0.282,-0.289,-0.296,-0.302,\n &-0.309,-0.315,-0.321,-0.326,-0.332,-0.337,-0.342,-0.347,-0.352,\n &-0.357,-0.361,-0.366,-0.370,-0.375,-0.379,-0.383,-0.387,-0.391,\n &-0.395,-0.399,-0.403,-0.406,-0.410,-0.414,-0.417,-0.421,-0.424,\n &-0.427,-0.431,-0.434,-0.437,-0.440,-0.443,-0.446,-0.449,-0.452,\n &-0.455,-0.458,-0.461,-0.464,-0.466,-0.469,-0.472,-0.475,-0.477,\n &-0.480,-0.482,-0.485,-0.487,-0.490,-0.492,-0.495,-0.497,-0.500,\n &-0.502,-0.505,-0.507,-0.509,-0.512,-0.514,-0.516,-0.518,-0.521,\n &-0.523,-0.525,-0.527,-0.530,-0.532,-0.534,-0.536,-0.538,-0.541,\n &-0.543,-0.545,-0.547,-0.549,-0.551,-0.553,-0.555,-0.558,-0.560,\n &-0.562,-0.564,-0.566,-0.568,-0.570,-0.572,-0.574,-0.576,-0.578,\n &-0.580,-0.582,-0.584,-0.586,-0.588,-0.590,-0.592,-0.594,-0.596,\n &-0.598,-0.600,-0.602,-0.604,-0.606,-0.608,-0.609,-0.611,-0.613,\n &-0.615,-0.617,-0.619,-0.621,-0.622,-0.624,-0.626,-0.628,-0.630,\n &-0.631,-0.633,-0.635,-0.637,-0.639,-0.640,-0.642,-0.644,-0.646,\n &-0.647,-0.649,-0.651,-0.652,-0.654,-0.656,-0.657,-0.659,-0.661,\n &-0.662,-0.664,-0.666,-0.667,-0.669,-0.671,-0.672,-0.674,-0.675,\n &-0.677,-0.679,-0.680,-0.682,-0.683,-0.685,-0.686,-0.688,-0.690,\n &-0.691,-0.693,-0.694,-0.696,-0.697,-0.699,-0.700,-0.702,-0.703,\n &-0.705,-0.706,-0.708,-0.709,-0.711,-0.712,-0.713,-0.715,-0.716,\n &-0.718,-0.719,-0.721,-0.722,-0.723,-0.725,-0.726,-0.728,-0.729,\n &-0.730,-0.732,-0.733,-0.735,-0.736,-0.737,-0.739,-0.740,-0.741,\n &-0.743,-0.744,-0.745,-0.747,-0.748,-0.749,-0.751,-0.752,-0.753,\n &-0.755,-0.756,-0.757,-0.759,-0.760,-0.761,-0.762,-0.764,-0.765,\n &-0.766,-0.768,-0.769,-0.770,-0.771,-0.773,-0.774,-0.775,-0.776,\n &-0.778,-0.779,-0.780,-0.781,-0.782,-0.784,-0.785,-0.786,-0.787,\n &-0.788,-0.790,-0.791,-0.792,-0.793,-0.794,-0.796,-0.797,-0.798,\n &-0.799,-0.800,-0.801,-0.803,-0.804,-0.805,-0.806,-0.807,-0.808,\n &-0.809,-0.811,-0.812,-0.813,-0.814,-0.815,-0.816,-0.817,-0.818,\n &-0.820,-0.821,-0.822,-0.823,-0.824,-0.825,-0.826,-0.827,-0.828,\n &-0.829,-0.830,-0.832,-0.833,-0.834,-0.835,-0.836,-0.837,-0.838,\n &-0.839,-0.840,-0.841,-0.842,-0.843,-0.844,-0.845,-0.846,-0.847,\n &-0.848,-0.849,-0.850,-0.851,-0.852,-0.853,-0.854,-0.855,-0.857,\n &-0.858,-0.859,-0.860,-0.861,-0.862,-0.863,-0.863,-0.864,-0.865,\n &-0.866,-0.867,-0.868,-0.869,-0.870,-0.871,-0.872,-0.873,-0.874,\n &-0.875,-0.876,-0.877,-0.878,-0.879,-0.880,-0.881,-0.882,-0.883,\n &-0.884,-0.885,-0.886,-0.887,-0.887,-0.888,-0.889,-0.890,-0.891,\n &-0.892,-0.893,-0.894,-0.895,-0.896,-0.897,-0.898,-0.898,-0.899,\n &-0.900,-0.901,-0.902,-0.903,-0.904,-0.905,-0.906,-0.907,-0.907,\n &-0.908,-0.909,-0.910,-0.911,-0.912,-0.913,-0.914,-0.914,-0.915,\n &-0.916,-0.917,-0.918,-0.919,-0.920,-0.920,-0.921,-0.922,-0.923,\n &-0.924,-0.925,-0.926,-0.926,-0.927,-0.928,-0.929,-0.930,-0.931,\n &-0.931,-0.932,-0.933,-0.934,-0.935,-0.936,-0.936,-0.937,-0.938,\n &-0.939,-0.940,-0.940,-0.941,-0.950,-0.958,-0.965,-0.973,-0.980,\n &-0.988,-0.995,-1.002,-1.009,-1.015,-1.022,-1.029,-1.035,-1.041,\n &-1.047,-1.054,-1.060,-1.066,-1.071,-1.077,-1.083,-1.088,-1.094,\n &-1.099,-1.105,-1.110,-1.115,-1.120,-1.125,-1.130,-1.135,-1.140,\n &-1.145,-1.150,-1.155,-1.159,-1.164,-1.168,-1.173,-1.177,-1.182,\n &-1.186,-1.191,-1.195,-1.199,-1.203,-1.207,-1.212,-1.216,-1.220,\n &-1.224,-1.228,-1.232,-1.235,-1.239,-1.243,-1.247,-1.251,-1.254,\n &-1.258,-1.262,-1.265,-1.269,-1.273,-1.276,-1.280,-1.283,-1.287,\n &-1.290,-1.293,-1.297,-1.300,-1.304,-1.307,-1.310,-1.313,-1.317,\n &-1.320,-1.323,-1.326,-1.330,-1.333,-1.336,-1.339,-1.342,-1.345,\n &-1.348,-1.351,-1.354,-1.357,-1.360,-1.363,-1.366,-1.369,-1.372,\n &-1.375,-1.378,-1.381,-1.383,-1.386,-1.389,-1.392,-1.395,-1.397,\n &-1.400,-1.403,-1.406,-1.408,-1.411,-1.414,-1.417,-1.419,-1.422,\n &-1.425,-1.427,-1.430,-1.432,-1.435,-1.438,-1.440,-1.443,-1.445,\n &-1.448,-1.450,-1.453,-1.456,-1.458,-1.461,-1.463,-1.466,-1.468,\n &-1.470,-1.473,-1.475,-1.478,-1.480,-1.483,-1.485,-1.487,-1.490,\n &-1.492,-1.495,-1.497,-1.499,-1.502,-1.504,-1.506,-1.509,-1.511,\n &-1.513,-1.516,-1.518,-1.520,-1.523,-1.525,-1.527,-1.529,-1.532,\n &-1.534,-1.536,-1.538\n & /\nC\nC *** NH4Cl\nC\n DATA BNC06M/\n &-0.047,-0.101,-0.126,-0.144,-0.157,-0.168,-0.177,-0.185,-0.191,\n &-0.197,-0.202,-0.207,-0.211,-0.215,-0.218,-0.221,-0.224,-0.227,\n &-0.229,-0.232,-0.234,-0.236,-0.238,-0.239,-0.241,-0.242,-0.244,\n &-0.245,-0.246,-0.247,-0.249,-0.250,-0.251,-0.251,-0.252,-0.253,\n &-0.254,-0.255,-0.255,-0.256,-0.257,-0.257,-0.258,-0.258,-0.259,\n &-0.259,-0.260,-0.260,-0.261,-0.261,-0.261,-0.262,-0.262,-0.262,\n &-0.263,-0.263,-0.263,-0.263,-0.264,-0.264,-0.264,-0.264,-0.265,\n &-0.265,-0.265,-0.265,-0.265,-0.265,-0.265,-0.266,-0.266,-0.266,\n &-0.266,-0.266,-0.266,-0.266,-0.266,-0.266,-0.266,-0.266,-0.266,\n &-0.266,-0.266,-0.266,-0.266,-0.266,-0.266,-0.266,-0.266,-0.265,\n &-0.265,-0.265,-0.265,-0.265,-0.265,-0.265,-0.264,-0.264,-0.264,\n &-0.264,-0.264,-0.263,-0.263,-0.263,-0.263,-0.263,-0.262,-0.262,\n &-0.262,-0.262,-0.261,-0.261,-0.261,-0.260,-0.260,-0.260,-0.260,\n &-0.259,-0.259,-0.259,-0.258,-0.258,-0.258,-0.257,-0.257,-0.257,\n &-0.256,-0.256,-0.256,-0.255,-0.255,-0.255,-0.254,-0.254,-0.254,\n &-0.253,-0.253,-0.253,-0.252,-0.252,-0.252,-0.251,-0.251,-0.251,\n &-0.250,-0.250,-0.249,-0.249,-0.249,-0.248,-0.248,-0.248,-0.247,\n &-0.247,-0.247,-0.246,-0.246,-0.245,-0.245,-0.245,-0.244,-0.244,\n &-0.244,-0.243,-0.243,-0.242,-0.242,-0.242,-0.241,-0.241,-0.241,\n &-0.240,-0.240,-0.239,-0.239,-0.239,-0.238,-0.238,-0.238,-0.237,\n &-0.237,-0.236,-0.236,-0.236,-0.235,-0.235,-0.235,-0.234,-0.234,\n &-0.233,-0.233,-0.233,-0.232,-0.232,-0.231,-0.231,-0.231,-0.230,\n &-0.230,-0.230,-0.229,-0.229,-0.228,-0.228,-0.228,-0.227,-0.227,\n &-0.227,-0.226,-0.226,-0.225,-0.225,-0.225,-0.224,-0.224,-0.224,\n &-0.223,-0.223,-0.222,-0.222,-0.222,-0.221,-0.221,-0.221,-0.220,\n &-0.220,-0.219,-0.219,-0.219,-0.218,-0.218,-0.218,-0.217,-0.217,\n &-0.216,-0.216,-0.216,-0.215,-0.215,-0.215,-0.214,-0.214,-0.214,\n &-0.213,-0.213,-0.212,-0.212,-0.212,-0.211,-0.211,-0.211,-0.210,\n &-0.210,-0.210,-0.209,-0.209,-0.208,-0.208,-0.208,-0.207,-0.207,\n &-0.207,-0.206,-0.206,-0.206,-0.205,-0.205,-0.204,-0.204,-0.204,\n &-0.203,-0.203,-0.203,-0.202,-0.202,-0.202,-0.201,-0.201,-0.201,\n &-0.200,-0.200,-0.200,-0.199,-0.199,-0.198,-0.198,-0.198,-0.197,\n &-0.197,-0.197,-0.196,-0.196,-0.196,-0.195,-0.195,-0.195,-0.194,\n &-0.194,-0.194,-0.193,-0.193,-0.193,-0.192,-0.192,-0.192,-0.191,\n &-0.191,-0.191,-0.190,-0.190,-0.190,-0.189,-0.189,-0.189,-0.188,\n &-0.188,-0.188,-0.187,-0.187,-0.187,-0.186,-0.186,-0.186,-0.185,\n &-0.185,-0.185,-0.184,-0.184,-0.184,-0.183,-0.183,-0.183,-0.182,\n &-0.182,-0.182,-0.181,-0.181,-0.181,-0.180,-0.180,-0.180,-0.179,\n &-0.179,-0.179,-0.178,-0.178,-0.178,-0.177,-0.177,-0.177,-0.176,\n &-0.176,-0.176,-0.176,-0.175,-0.175,-0.175,-0.174,-0.174,-0.174,\n &-0.173,-0.173,-0.173,-0.172,-0.172,-0.172,-0.171,-0.171,-0.171,\n &-0.171,-0.170,-0.170,-0.170,-0.169,-0.169,-0.169,-0.168,-0.168,\n &-0.168,-0.167,-0.167,-0.167,-0.167,-0.166,-0.166,-0.166,-0.165,\n &-0.165,-0.165,-0.164,-0.164,-0.164,-0.164,-0.163,-0.163,-0.163,\n &-0.162,-0.162,-0.162,-0.161,-0.158,-0.155,-0.153,-0.150,-0.147,\n &-0.144,-0.142,-0.139,-0.137,-0.134,-0.132,-0.129,-0.127,-0.125,\n &-0.122,-0.120,-0.118,-0.116,-0.113,-0.111,-0.109,-0.107,-0.105,\n &-0.103,-0.101,-0.099,-0.097,-0.095,-0.093,-0.092,-0.090,-0.088,\n &-0.086,-0.085,-0.083,-0.081,-0.080,-0.078,-0.077,-0.075,-0.073,\n &-0.072,-0.071,-0.069,-0.068,-0.066,-0.065,-0.064,-0.062,-0.061,\n &-0.060,-0.058,-0.057,-0.056,-0.055,-0.053,-0.052,-0.051,-0.050,\n &-0.049,-0.048,-0.047,-0.046,-0.044,-0.043,-0.042,-0.041,-0.040,\n &-0.039,-0.039,-0.038,-0.037,-0.036,-0.035,-0.034,-0.033,-0.032,\n &-0.032,-0.031,-0.030,-0.029,-0.028,-0.028,-0.027,-0.026,-0.025,\n &-0.025,-0.024,-0.023,-0.023,-0.022,-0.021,-0.021,-0.020,-0.019,\n &-0.019,-0.018,-0.018,-0.017,-0.017,-0.016,-0.016,-0.015,-0.015,\n &-0.014,-0.014,-0.013,-0.013,-0.012,-0.012,-0.011,-0.011,-0.010,\n &-0.010,-0.010,-0.009,-0.009,-0.008,-0.008,-0.008,-0.007,-0.007,\n &-0.007,-0.006,-0.006,-0.006,-0.005,-0.005,-0.005,-0.005,-0.004,\n &-0.004,-0.004,-0.004,-0.003,-0.003,-0.003,-0.003,-0.003,-0.002,\n &-0.002,-0.002,-0.002,-0.002,-0.002,-0.001,-0.001,-0.001,-0.001,\n &-0.001,-0.001,-0.001,-0.001, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000\n & /\nC\nC *** (2H,SO4)\nC\n DATA BNC07M/\n &-0.095,-0.207,-0.263,-0.303,-0.333,-0.359,-0.381,-0.400,-0.417,\n &-0.432,-0.446,-0.459,-0.471,-0.482,-0.492,-0.502,-0.511,-0.520,\n &-0.528,-0.536,-0.543,-0.550,-0.557,-0.564,-0.570,-0.576,-0.582,\n &-0.588,-0.593,-0.598,-0.603,-0.608,-0.613,-0.618,-0.622,-0.627,\n &-0.631,-0.635,-0.640,-0.644,-0.648,-0.651,-0.655,-0.659,-0.662,\n &-0.666,-0.669,-0.673,-0.676,-0.679,-0.682,-0.686,-0.689,-0.692,\n &-0.695,-0.698,-0.700,-0.703,-0.706,-0.709,-0.712,-0.714,-0.717,\n &-0.719,-0.722,-0.724,-0.727,-0.729,-0.732,-0.734,-0.736,-0.739,\n &-0.741,-0.743,-0.746,-0.748,-0.750,-0.752,-0.754,-0.756,-0.758,\n &-0.761,-0.763,-0.765,-0.767,-0.769,-0.771,-0.773,-0.774,-0.776,\n &-0.778,-0.780,-0.782,-0.784,-0.786,-0.787,-0.789,-0.791,-0.793,\n &-0.795,-0.796,-0.798,-0.800,-0.802,-0.803,-0.805,-0.807,-0.808,\n &-0.810,-0.811,-0.813,-0.815,-0.816,-0.818,-0.819,-0.821,-0.823,\n &-0.824,-0.826,-0.827,-0.829,-0.830,-0.832,-0.833,-0.835,-0.836,\n &-0.838,-0.839,-0.841,-0.842,-0.843,-0.845,-0.846,-0.848,-0.849,\n &-0.850,-0.852,-0.853,-0.854,-0.856,-0.857,-0.858,-0.860,-0.861,\n &-0.862,-0.864,-0.865,-0.866,-0.868,-0.869,-0.870,-0.871,-0.873,\n &-0.874,-0.875,-0.876,-0.878,-0.879,-0.880,-0.881,-0.883,-0.884,\n &-0.885,-0.886,-0.887,-0.889,-0.890,-0.891,-0.892,-0.893,-0.894,\n &-0.896,-0.897,-0.898,-0.899,-0.900,-0.901,-0.902,-0.904,-0.905,\n &-0.906,-0.907,-0.908,-0.909,-0.910,-0.911,-0.912,-0.914,-0.915,\n &-0.916,-0.917,-0.918,-0.919,-0.920,-0.921,-0.922,-0.923,-0.924,\n &-0.925,-0.926,-0.927,-0.928,-0.929,-0.930,-0.931,-0.932,-0.933,\n &-0.934,-0.935,-0.936,-0.937,-0.938,-0.939,-0.940,-0.941,-0.942,\n &-0.943,-0.944,-0.945,-0.946,-0.947,-0.948,-0.949,-0.950,-0.951,\n &-0.952,-0.953,-0.954,-0.955,-0.956,-0.957,-0.958,-0.959,-0.960,\n &-0.960,-0.961,-0.962,-0.963,-0.964,-0.965,-0.966,-0.967,-0.968,\n &-0.969,-0.970,-0.970,-0.971,-0.972,-0.973,-0.974,-0.975,-0.976,\n &-0.977,-0.978,-0.978,-0.979,-0.980,-0.981,-0.982,-0.983,-0.984,\n &-0.985,-0.985,-0.986,-0.987,-0.988,-0.989,-0.990,-0.991,-0.991,\n &-0.992,-0.993,-0.994,-0.995,-0.996,-0.996,-0.997,-0.998,-0.999,\n &-1.000,-1.001,-1.001,-1.002,-1.003,-1.004,-1.005,-1.005,-1.006,\n &-1.007,-1.008,-1.009,-1.010,-1.010,-1.011,-1.012,-1.013,-1.014,\n &-1.014,-1.015,-1.016,-1.017,-1.017,-1.018,-1.019,-1.020,-1.021,\n &-1.021,-1.022,-1.023,-1.024,-1.025,-1.025,-1.026,-1.027,-1.028,\n &-1.028,-1.029,-1.030,-1.031,-1.031,-1.032,-1.033,-1.034,-1.034,\n &-1.035,-1.036,-1.037,-1.037,-1.038,-1.039,-1.040,-1.040,-1.041,\n &-1.042,-1.043,-1.043,-1.044,-1.045,-1.046,-1.046,-1.047,-1.048,\n &-1.049,-1.049,-1.050,-1.051,-1.051,-1.052,-1.053,-1.054,-1.054,\n &-1.055,-1.056,-1.057,-1.057,-1.058,-1.059,-1.059,-1.060,-1.061,\n &-1.061,-1.062,-1.063,-1.064,-1.064,-1.065,-1.066,-1.066,-1.067,\n &-1.068,-1.069,-1.069,-1.070,-1.071,-1.071,-1.072,-1.073,-1.073,\n &-1.074,-1.075,-1.075,-1.076,-1.077,-1.078,-1.078,-1.079,-1.080,\n &-1.080,-1.081,-1.082,-1.082,-1.083,-1.084,-1.084,-1.085,-1.086,\n &-1.086,-1.087,-1.088,-1.088,-1.096,-1.102,-1.109,-1.115,-1.121,\n &-1.127,-1.134,-1.140,-1.146,-1.152,-1.158,-1.163,-1.169,-1.175,\n &-1.181,-1.186,-1.192,-1.198,-1.203,-1.209,-1.214,-1.219,-1.225,\n &-1.230,-1.235,-1.241,-1.246,-1.251,-1.256,-1.261,-1.266,-1.271,\n &-1.276,-1.281,-1.286,-1.291,-1.296,-1.301,-1.306,-1.311,-1.315,\n &-1.320,-1.325,-1.330,-1.334,-1.339,-1.344,-1.348,-1.353,-1.358,\n &-1.362,-1.367,-1.371,-1.376,-1.380,-1.385,-1.389,-1.394,-1.398,\n &-1.403,-1.407,-1.412,-1.416,-1.420,-1.425,-1.429,-1.434,-1.438,\n &-1.442,-1.447,-1.451,-1.455,-1.459,-1.464,-1.468,-1.472,-1.476,\n &-1.480,-1.485,-1.489,-1.493,-1.497,-1.501,-1.505,-1.510,-1.514,\n &-1.518,-1.522,-1.526,-1.530,-1.534,-1.538,-1.542,-1.546,-1.550,\n &-1.554,-1.558,-1.562,-1.566,-1.570,-1.574,-1.578,-1.582,-1.586,\n &-1.590,-1.594,-1.598,-1.602,-1.606,-1.610,-1.614,-1.618,-1.622,\n &-1.625,-1.629,-1.633,-1.637,-1.641,-1.645,-1.649,-1.652,-1.656,\n &-1.660,-1.664,-1.668,-1.672,-1.675,-1.679,-1.683,-1.687,-1.690,\n &-1.694,-1.698,-1.702,-1.706,-1.709,-1.713,-1.717,-1.721,-1.724,\n &-1.728,-1.732,-1.735,-1.739,-1.743,-1.747,-1.750,-1.754,-1.758,\n &-1.761,-1.765,-1.769,-1.772,-1.776,-1.780,-1.783,-1.787,-1.791,\n &-1.794,-1.798,-1.801\n & /\nC\nC *** (H,HSO4)\nC\n DATA BNC08M/\n &-0.045,-0.089,-0.107,-0.117,-0.124,-0.128,-0.131,-0.132,-0.133,\n &-0.132,-0.132,-0.130,-0.128,-0.126,-0.123,-0.120,-0.117,-0.113,\n &-0.109,-0.105,-0.101,-0.096,-0.091,-0.086,-0.081,-0.076,-0.070,\n &-0.065,-0.059,-0.053,-0.047,-0.040,-0.034,-0.027,-0.021,-0.014,\n &-0.007, 0.000, 0.007, 0.014, 0.021, 0.028, 0.036, 0.043, 0.051,\n & 0.058, 0.066, 0.074, 0.082, 0.089, 0.097, 0.105, 0.113, 0.121,\n & 0.130, 0.138, 0.146, 0.154, 0.163, 0.171, 0.179, 0.188, 0.196,\n & 0.205, 0.214, 0.222, 0.231, 0.240, 0.248, 0.257, 0.266, 0.275,\n & 0.284, 0.293, 0.302, 0.311, 0.320, 0.329, 0.338, 0.347, 0.357,\n & 0.366, 0.375, 0.385, 0.394, 0.404, 0.413, 0.423, 0.433, 0.442,\n & 0.452, 0.462, 0.472, 0.482, 0.492, 0.502, 0.512, 0.522, 0.532,\n & 0.542, 0.552, 0.563, 0.573, 0.583, 0.594, 0.604, 0.614, 0.625,\n & 0.635, 0.646, 0.656, 0.667, 0.677, 0.688, 0.698, 0.709, 0.719,\n & 0.730, 0.741, 0.751, 0.762, 0.772, 0.783, 0.794, 0.804, 0.815,\n & 0.825, 0.836, 0.846, 0.857, 0.867, 0.878, 0.888, 0.899, 0.909,\n & 0.920, 0.930, 0.941, 0.951, 0.962, 0.972, 0.982, 0.993, 1.003,\n & 1.014, 1.024, 1.034, 1.044, 1.055, 1.065, 1.075, 1.085, 1.096,\n & 1.106, 1.116, 1.126, 1.136, 1.146, 1.156, 1.166, 1.176, 1.186,\n & 1.196, 1.206, 1.216, 1.226, 1.236, 1.246, 1.256, 1.266, 1.276,\n & 1.285, 1.295, 1.305, 1.315, 1.325, 1.334, 1.344, 1.354, 1.363,\n & 1.373, 1.383, 1.392, 1.402, 1.411, 1.421, 1.430, 1.440, 1.449,\n & 1.459, 1.468, 1.478, 1.487, 1.496, 1.506, 1.515, 1.524, 1.534,\n & 1.543, 1.552, 1.561, 1.571, 1.580, 1.589, 1.598, 1.607, 1.616,\n & 1.625, 1.634, 1.643, 1.652, 1.661, 1.670, 1.679, 1.688, 1.697,\n & 1.706, 1.715, 1.724, 1.733, 1.742, 1.750, 1.759, 1.768, 1.777,\n & 1.786, 1.794, 1.803, 1.812, 1.820, 1.829, 1.838, 1.846, 1.855,\n & 1.863, 1.872, 1.880, 1.889, 1.897, 1.906, 1.914, 1.923, 1.931,\n & 1.940, 1.948, 1.956, 1.965, 1.973, 1.981, 1.990, 1.998, 2.006,\n & 2.015, 2.023, 2.031, 2.039, 2.047, 2.056, 2.064, 2.072, 2.080,\n & 2.088, 2.096, 2.104, 2.112, 2.120, 2.128, 2.136, 2.144, 2.152,\n & 2.160, 2.168, 2.176, 2.184, 2.192, 2.200, 2.207, 2.215, 2.223,\n & 2.231, 2.239, 2.246, 2.254, 2.262, 2.270, 2.277, 2.285, 2.293,\n & 2.300, 2.308, 2.316, 2.323, 2.331, 2.339, 2.346, 2.354, 2.361,\n & 2.369, 2.376, 2.384, 2.391, 2.399, 2.406, 2.414, 2.421, 2.428,\n & 2.436, 2.443, 2.451, 2.458, 2.465, 2.473, 2.480, 2.487, 2.494,\n & 2.502, 2.509, 2.516, 2.523, 2.531, 2.538, 2.545, 2.552, 2.559,\n & 2.566, 2.574, 2.581, 2.588, 2.595, 2.602, 2.609, 2.616, 2.623,\n & 2.630, 2.637, 2.644, 2.651, 2.658, 2.665, 2.672, 2.679, 2.686,\n & 2.693, 2.700, 2.707, 2.713, 2.720, 2.727, 2.734, 2.741, 2.748,\n & 2.754, 2.761, 2.768, 2.775, 2.781, 2.788, 2.795, 2.802, 2.808,\n & 2.815, 2.822, 2.828, 2.835, 2.842, 2.848, 2.855, 2.862, 2.868,\n & 2.875, 2.881, 2.888, 2.894, 2.901, 2.907, 2.914, 2.920, 2.927,\n & 2.933, 2.940, 2.946, 2.953, 2.959, 2.966, 2.972, 2.978, 2.985,\n & 2.991, 2.998, 3.004, 3.010, 3.017, 3.023, 3.029, 3.036, 3.042,\n & 3.048, 3.054, 3.061, 3.067, 3.134, 3.195, 3.254, 3.313, 3.371,\n & 3.428, 3.485, 3.540, 3.595, 3.648, 3.701, 3.754, 3.805, 3.856,\n & 3.906, 3.955, 4.004, 4.052, 4.100, 4.147, 4.193, 4.239, 4.284,\n & 4.328, 4.372, 4.416, 4.459, 4.501, 4.543, 4.585, 4.626, 4.666,\n & 4.707, 4.746, 4.786, 4.824, 4.863, 4.901, 4.938, 4.976, 5.013,\n & 5.049, 5.085, 5.121, 5.156, 5.191, 5.226, 5.260, 5.294, 5.328,\n & 5.361, 5.395, 5.427, 5.460, 5.492, 5.524, 5.555, 5.587, 5.618,\n & 5.649, 5.679, 5.709, 5.739, 5.769, 5.799, 5.828, 5.857, 5.886,\n & 5.914, 5.942, 5.971, 5.998, 6.026, 6.053, 6.081, 6.108, 6.134,\n & 6.161, 6.187, 6.214, 6.240, 6.265, 6.291, 6.316, 6.342, 6.367,\n & 6.392, 6.416, 6.441, 6.465, 6.489, 6.513, 6.537, 6.561, 6.584,\n & 6.608, 6.631, 6.654, 6.677, 6.699, 6.722, 6.744, 6.767, 6.789,\n & 6.811, 6.833, 6.854, 6.876, 6.897, 6.919, 6.940, 6.961, 6.982,\n & 7.003, 7.023, 7.044, 7.064, 7.085, 7.105, 7.125, 7.145, 7.165,\n & 7.184, 7.204, 7.223, 7.243, 7.262, 7.281, 7.300, 7.319, 7.338,\n & 7.356, 7.375, 7.394, 7.412, 7.430, 7.448, 7.467, 7.485, 7.502,\n & 7.520, 7.538, 7.556, 7.573, 7.591, 7.608, 7.625, 7.642, 7.659,\n & 7.676, 7.693, 7.710, 7.727, 7.743, 7.760, 7.776, 7.793, 7.809,\n & 7.825, 7.841, 7.858\n & /\nC\nC *** NH4HSO4\nC\n DATA BNC09M/\n &-0.047,-0.099,-0.125,-0.142,-0.155,-0.166,-0.175,-0.182,-0.189,\n &-0.195,-0.200,-0.204,-0.208,-0.212,-0.215,-0.218,-0.221,-0.223,\n &-0.225,-0.227,-0.228,-0.230,-0.231,-0.232,-0.233,-0.234,-0.235,\n &-0.235,-0.235,-0.236,-0.236,-0.236,-0.236,-0.235,-0.235,-0.235,\n &-0.234,-0.233,-0.233,-0.232,-0.231,-0.230,-0.229,-0.228,-0.227,\n &-0.226,-0.224,-0.223,-0.222,-0.220,-0.219,-0.217,-0.215,-0.214,\n &-0.212,-0.210,-0.208,-0.207,-0.205,-0.203,-0.201,-0.199,-0.197,\n &-0.195,-0.192,-0.190,-0.188,-0.186,-0.183,-0.181,-0.179,-0.176,\n &-0.174,-0.171,-0.169,-0.166,-0.164,-0.161,-0.159,-0.156,-0.153,\n &-0.151,-0.148,-0.145,-0.143,-0.140,-0.137,-0.134,-0.131,-0.128,\n &-0.125,-0.122,-0.120,-0.117,-0.114,-0.110,-0.107,-0.104,-0.101,\n &-0.098,-0.095,-0.092,-0.089,-0.085,-0.082,-0.079,-0.076,-0.073,\n &-0.069,-0.066,-0.063,-0.060,-0.056,-0.053,-0.050,-0.046,-0.043,\n &-0.040,-0.036,-0.033,-0.030,-0.026,-0.023,-0.020,-0.016,-0.013,\n &-0.010,-0.006,-0.003, 0.000, 0.004, 0.007, 0.010, 0.014, 0.017,\n & 0.020, 0.024, 0.027, 0.030, 0.034, 0.037, 0.040, 0.043, 0.047,\n & 0.050, 0.053, 0.056, 0.060, 0.063, 0.066, 0.069, 0.073, 0.076,\n & 0.079, 0.082, 0.086, 0.089, 0.092, 0.095, 0.098, 0.101, 0.105,\n & 0.108, 0.111, 0.114, 0.117, 0.120, 0.123, 0.127, 0.130, 0.133,\n & 0.136, 0.139, 0.142, 0.145, 0.148, 0.151, 0.154, 0.157, 0.160,\n & 0.163, 0.166, 0.170, 0.173, 0.176, 0.179, 0.182, 0.184, 0.187,\n & 0.190, 0.193, 0.196, 0.199, 0.202, 0.205, 0.208, 0.211, 0.214,\n & 0.217, 0.220, 0.223, 0.226, 0.228, 0.231, 0.234, 0.237, 0.240,\n & 0.243, 0.246, 0.248, 0.251, 0.254, 0.257, 0.260, 0.262, 0.265,\n & 0.268, 0.271, 0.274, 0.276, 0.279, 0.282, 0.285, 0.287, 0.290,\n & 0.293, 0.296, 0.298, 0.301, 0.304, 0.306, 0.309, 0.312, 0.315,\n & 0.317, 0.320, 0.323, 0.325, 0.328, 0.330, 0.333, 0.336, 0.338,\n & 0.341, 0.344, 0.346, 0.349, 0.351, 0.354, 0.357, 0.359, 0.362,\n & 0.364, 0.367, 0.369, 0.372, 0.375, 0.377, 0.380, 0.382, 0.385,\n & 0.387, 0.390, 0.392, 0.395, 0.397, 0.400, 0.402, 0.405, 0.407,\n & 0.410, 0.412, 0.415, 0.417, 0.419, 0.422, 0.424, 0.427, 0.429,\n & 0.432, 0.434, 0.437, 0.439, 0.441, 0.444, 0.446, 0.449, 0.451,\n & 0.453, 0.456, 0.458, 0.460, 0.463, 0.465, 0.467, 0.470, 0.472,\n & 0.474, 0.477, 0.479, 0.481, 0.484, 0.486, 0.488, 0.491, 0.493,\n & 0.495, 0.498, 0.500, 0.502, 0.504, 0.507, 0.509, 0.511, 0.513,\n & 0.516, 0.518, 0.520, 0.522, 0.525, 0.527, 0.529, 0.531, 0.534,\n & 0.536, 0.538, 0.540, 0.542, 0.545, 0.547, 0.549, 0.551, 0.553,\n & 0.556, 0.558, 0.560, 0.562, 0.564, 0.566, 0.569, 0.571, 0.573,\n & 0.575, 0.577, 0.579, 0.581, 0.584, 0.586, 0.588, 0.590, 0.592,\n & 0.594, 0.596, 0.598, 0.600, 0.602, 0.605, 0.607, 0.609, 0.611,\n & 0.613, 0.615, 0.617, 0.619, 0.621, 0.623, 0.625, 0.627, 0.629,\n & 0.631, 0.633, 0.635, 0.637, 0.639, 0.642, 0.644, 0.646, 0.648,\n & 0.650, 0.652, 0.654, 0.656, 0.658, 0.660, 0.662, 0.663, 0.665,\n & 0.667, 0.669, 0.671, 0.673, 0.675, 0.677, 0.679, 0.681, 0.683,\n & 0.685, 0.687, 0.689, 0.691, 0.712, 0.730, 0.749, 0.767, 0.785,\n & 0.803, 0.820, 0.837, 0.854, 0.871, 0.887, 0.903, 0.919, 0.935,\n & 0.950, 0.965, 0.980, 0.995, 1.010, 1.024, 1.039, 1.053, 1.067,\n & 1.080, 1.094, 1.107, 1.120, 1.133, 1.146, 1.159, 1.172, 1.184,\n & 1.196, 1.209, 1.221, 1.232, 1.244, 1.256, 1.267, 1.279, 1.290,\n & 1.301, 1.312, 1.323, 1.334, 1.344, 1.355, 1.365, 1.376, 1.386,\n & 1.396, 1.406, 1.416, 1.426, 1.436, 1.445, 1.455, 1.464, 1.474,\n & 1.483, 1.492, 1.501, 1.511, 1.519, 1.528, 1.537, 1.546, 1.555,\n & 1.563, 1.572, 1.580, 1.588, 1.597, 1.605, 1.613, 1.621, 1.629,\n & 1.637, 1.645, 1.653, 1.660, 1.668, 1.676, 1.683, 1.691, 1.698,\n & 1.706, 1.713, 1.720, 1.727, 1.734, 1.742, 1.749, 1.756, 1.763,\n & 1.769, 1.776, 1.783, 1.790, 1.796, 1.803, 1.810, 1.816, 1.823,\n & 1.829, 1.835, 1.842, 1.848, 1.854, 1.861, 1.867, 1.873, 1.879,\n & 1.885, 1.891, 1.897, 1.903, 1.909, 1.915, 1.920, 1.926, 1.932,\n & 1.938, 1.943, 1.949, 1.954, 1.960, 1.965, 1.971, 1.976, 1.982,\n & 1.987, 1.992, 1.998, 2.003, 2.008, 2.013, 2.018, 2.024, 2.029,\n & 2.034, 2.039, 2.044, 2.049, 2.054, 2.059, 2.063, 2.068, 2.073,\n & 2.078, 2.083, 2.087, 2.092, 2.097, 2.101, 2.106, 2.111, 2.115,\n & 2.120, 2.124, 2.129\n & /\nC\nC *** (H,NO3)\nC\n DATA BNC10M/\n &-0.046,-0.096,-0.118,-0.132,-0.142,-0.150,-0.156,-0.161,-0.164,\n &-0.167,-0.170,-0.171,-0.173,-0.174,-0.174,-0.175,-0.175,-0.175,\n &-0.175,-0.174,-0.174,-0.173,-0.172,-0.171,-0.170,-0.169,-0.168,\n &-0.167,-0.165,-0.164,-0.163,-0.161,-0.160,-0.158,-0.156,-0.155,\n &-0.153,-0.151,-0.150,-0.148,-0.146,-0.144,-0.142,-0.141,-0.139,\n &-0.137,-0.135,-0.133,-0.131,-0.129,-0.127,-0.125,-0.124,-0.122,\n &-0.120,-0.118,-0.116,-0.114,-0.112,-0.110,-0.108,-0.106,-0.104,\n &-0.102,-0.100,-0.098,-0.096,-0.094,-0.092,-0.090,-0.088,-0.086,\n &-0.084,-0.082,-0.080,-0.078,-0.076,-0.074,-0.071,-0.069,-0.067,\n &-0.065,-0.063,-0.061,-0.058,-0.056,-0.054,-0.052,-0.049,-0.047,\n &-0.045,-0.043,-0.040,-0.038,-0.035,-0.033,-0.031,-0.028,-0.026,\n &-0.023,-0.021,-0.019,-0.016,-0.014,-0.011,-0.009,-0.006,-0.004,\n &-0.001, 0.001, 0.004, 0.007, 0.009, 0.012, 0.014, 0.017, 0.019,\n & 0.022, 0.025, 0.027, 0.030, 0.032, 0.035, 0.038, 0.040, 0.043,\n & 0.045, 0.048, 0.051, 0.053, 0.056, 0.058, 0.061, 0.064, 0.066,\n & 0.069, 0.071, 0.074, 0.077, 0.079, 0.082, 0.084, 0.087, 0.090,\n & 0.092, 0.095, 0.097, 0.100, 0.103, 0.105, 0.108, 0.110, 0.113,\n & 0.115, 0.118, 0.121, 0.123, 0.126, 0.128, 0.131, 0.133, 0.136,\n & 0.138, 0.141, 0.143, 0.146, 0.148, 0.151, 0.154, 0.156, 0.159,\n & 0.161, 0.164, 0.166, 0.169, 0.171, 0.174, 0.176, 0.179, 0.181,\n & 0.184, 0.186, 0.189, 0.191, 0.193, 0.196, 0.198, 0.201, 0.203,\n & 0.206, 0.208, 0.211, 0.213, 0.216, 0.218, 0.220, 0.223, 0.225,\n & 0.228, 0.230, 0.232, 0.235, 0.237, 0.240, 0.242, 0.245, 0.247,\n & 0.249, 0.252, 0.254, 0.256, 0.259, 0.261, 0.264, 0.266, 0.268,\n & 0.271, 0.273, 0.275, 0.278, 0.280, 0.282, 0.285, 0.287, 0.289,\n & 0.292, 0.294, 0.296, 0.299, 0.301, 0.303, 0.306, 0.308, 0.310,\n & 0.312, 0.315, 0.317, 0.319, 0.322, 0.324, 0.326, 0.328, 0.331,\n & 0.333, 0.335, 0.337, 0.340, 0.342, 0.344, 0.346, 0.349, 0.351,\n & 0.353, 0.355, 0.357, 0.360, 0.362, 0.364, 0.366, 0.369, 0.371,\n & 0.373, 0.375, 0.377, 0.379, 0.382, 0.384, 0.386, 0.388, 0.390,\n & 0.393, 0.395, 0.397, 0.399, 0.401, 0.403, 0.405, 0.408, 0.410,\n & 0.412, 0.414, 0.416, 0.418, 0.420, 0.422, 0.425, 0.427, 0.429,\n & 0.431, 0.433, 0.435, 0.437, 0.439, 0.441, 0.443, 0.445, 0.448,\n & 0.450, 0.452, 0.454, 0.456, 0.458, 0.460, 0.462, 0.464, 0.466,\n & 0.468, 0.470, 0.472, 0.474, 0.476, 0.478, 0.480, 0.482, 0.484,\n & 0.486, 0.488, 0.490, 0.492, 0.494, 0.496, 0.498, 0.500, 0.502,\n & 0.504, 0.506, 0.508, 0.510, 0.512, 0.514, 0.516, 0.518, 0.520,\n & 0.522, 0.524, 0.526, 0.528, 0.530, 0.532, 0.534, 0.536, 0.537,\n & 0.539, 0.541, 0.543, 0.545, 0.547, 0.549, 0.551, 0.553, 0.555,\n & 0.557, 0.558, 0.560, 0.562, 0.564, 0.566, 0.568, 0.570, 0.572,\n & 0.574, 0.575, 0.577, 0.579, 0.581, 0.583, 0.585, 0.587, 0.588,\n & 0.590, 0.592, 0.594, 0.596, 0.598, 0.599, 0.601, 0.603, 0.605,\n & 0.607, 0.609, 0.610, 0.612, 0.614, 0.616, 0.618, 0.619, 0.621,\n & 0.623, 0.625, 0.627, 0.628, 0.630, 0.632, 0.634, 0.635, 0.637,\n & 0.639, 0.641, 0.643, 0.644, 0.663, 0.680, 0.697, 0.714, 0.730,\n & 0.747, 0.763, 0.778, 0.794, 0.809, 0.824, 0.839, 0.854, 0.868,\n & 0.883, 0.897, 0.911, 0.924, 0.938, 0.951, 0.965, 0.978, 0.990,\n & 1.003, 1.016, 1.028, 1.040, 1.053, 1.065, 1.076, 1.088, 1.100,\n & 1.111, 1.122, 1.133, 1.145, 1.155, 1.166, 1.177, 1.188, 1.198,\n & 1.208, 1.219, 1.229, 1.239, 1.249, 1.258, 1.268, 1.278, 1.287,\n & 1.297, 1.306, 1.315, 1.324, 1.333, 1.342, 1.351, 1.360, 1.369,\n & 1.377, 1.386, 1.394, 1.403, 1.411, 1.419, 1.428, 1.436, 1.444,\n & 1.452, 1.459, 1.467, 1.475, 1.483, 1.490, 1.498, 1.505, 1.513,\n & 1.520, 1.527, 1.535, 1.542, 1.549, 1.556, 1.563, 1.570, 1.577,\n & 1.584, 1.590, 1.597, 1.604, 1.610, 1.617, 1.623, 1.630, 1.636,\n & 1.643, 1.649, 1.655, 1.661, 1.667, 1.674, 1.680, 1.686, 1.692,\n & 1.698, 1.703, 1.709, 1.715, 1.721, 1.727, 1.732, 1.738, 1.744,\n & 1.749, 1.755, 1.760, 1.766, 1.771, 1.776, 1.782, 1.787, 1.792,\n & 1.797, 1.803, 1.808, 1.813, 1.818, 1.823, 1.828, 1.833, 1.838,\n & 1.843, 1.848, 1.853, 1.857, 1.862, 1.867, 1.872, 1.876, 1.881,\n & 1.886, 1.890, 1.895, 1.899, 1.904, 1.908, 1.913, 1.917, 1.922,\n & 1.926, 1.930, 1.935, 1.939, 1.943, 1.948, 1.952, 1.956, 1.960,\n & 1.964, 1.968, 1.973\n & /\nC\nC *** (H,Cl)\nC\n DATA BNC11M/\n &-0.045,-0.090,-0.108,-0.119,-0.126,-0.130,-0.133,-0.135,-0.135,\n &-0.135,-0.134,-0.133,-0.131,-0.129,-0.126,-0.124,-0.121,-0.117,\n &-0.114,-0.110,-0.106,-0.102,-0.098,-0.093,-0.089,-0.084,-0.079,\n &-0.075,-0.070,-0.065,-0.059,-0.054,-0.049,-0.044,-0.038,-0.033,\n &-0.027,-0.022,-0.016,-0.010,-0.004, 0.001, 0.007, 0.013, 0.019,\n & 0.025, 0.031, 0.037, 0.043, 0.049, 0.055, 0.061, 0.067, 0.073,\n & 0.079, 0.085, 0.091, 0.098, 0.104, 0.110, 0.116, 0.122, 0.129,\n & 0.135, 0.141, 0.147, 0.154, 0.160, 0.166, 0.173, 0.179, 0.185,\n & 0.192, 0.198, 0.205, 0.211, 0.218, 0.224, 0.231, 0.238, 0.244,\n & 0.251, 0.258, 0.264, 0.271, 0.278, 0.285, 0.292, 0.298, 0.305,\n & 0.312, 0.319, 0.326, 0.333, 0.341, 0.348, 0.355, 0.362, 0.369,\n & 0.377, 0.384, 0.391, 0.398, 0.406, 0.413, 0.421, 0.428, 0.435,\n & 0.443, 0.450, 0.458, 0.465, 0.473, 0.480, 0.488, 0.495, 0.503,\n & 0.510, 0.518, 0.526, 0.533, 0.541, 0.548, 0.556, 0.563, 0.571,\n & 0.578, 0.586, 0.594, 0.601, 0.609, 0.616, 0.624, 0.631, 0.639,\n & 0.646, 0.654, 0.661, 0.669, 0.676, 0.684, 0.691, 0.699, 0.706,\n & 0.713, 0.721, 0.728, 0.736, 0.743, 0.750, 0.758, 0.765, 0.772,\n & 0.780, 0.787, 0.794, 0.802, 0.809, 0.816, 0.823, 0.831, 0.838,\n & 0.845, 0.852, 0.859, 0.867, 0.874, 0.881, 0.888, 0.895, 0.902,\n & 0.909, 0.916, 0.924, 0.931, 0.938, 0.945, 0.952, 0.959, 0.966,\n & 0.973, 0.980, 0.987, 0.994, 1.000, 1.007, 1.014, 1.021, 1.028,\n & 1.035, 1.042, 1.049, 1.055, 1.062, 1.069, 1.076, 1.082, 1.089,\n & 1.096, 1.103, 1.109, 1.116, 1.123, 1.129, 1.136, 1.143, 1.149,\n & 1.156, 1.163, 1.169, 1.176, 1.182, 1.189, 1.195, 1.202, 1.208,\n & 1.215, 1.221, 1.228, 1.234, 1.241, 1.247, 1.254, 1.260, 1.266,\n & 1.273, 1.279, 1.286, 1.292, 1.298, 1.305, 1.311, 1.317, 1.323,\n & 1.330, 1.336, 1.342, 1.348, 1.355, 1.361, 1.367, 1.373, 1.379,\n & 1.386, 1.392, 1.398, 1.404, 1.410, 1.416, 1.422, 1.428, 1.434,\n & 1.440, 1.446, 1.452, 1.458, 1.464, 1.470, 1.476, 1.482, 1.488,\n & 1.494, 1.500, 1.506, 1.512, 1.518, 1.524, 1.530, 1.535, 1.541,\n & 1.547, 1.553, 1.559, 1.564, 1.570, 1.576, 1.582, 1.588, 1.593,\n & 1.599, 1.605, 1.610, 1.616, 1.622, 1.628, 1.633, 1.639, 1.644,\n & 1.650, 1.656, 1.661, 1.667, 1.672, 1.678, 1.684, 1.689, 1.695,\n & 1.700, 1.706, 1.711, 1.717, 1.722, 1.728, 1.733, 1.739, 1.744,\n & 1.750, 1.755, 1.760, 1.766, 1.771, 1.777, 1.782, 1.787, 1.793,\n & 1.798, 1.803, 1.809, 1.814, 1.819, 1.825, 1.830, 1.835, 1.840,\n & 1.846, 1.851, 1.856, 1.861, 1.867, 1.872, 1.877, 1.882, 1.887,\n & 1.893, 1.898, 1.903, 1.908, 1.913, 1.918, 1.923, 1.929, 1.934,\n & 1.939, 1.944, 1.949, 1.954, 1.959, 1.964, 1.969, 1.974, 1.979,\n & 1.984, 1.989, 1.994, 1.999, 2.004, 2.009, 2.014, 2.019, 2.024,\n & 2.029, 2.034, 2.039, 2.044, 2.048, 2.053, 2.058, 2.063, 2.068,\n & 2.073, 2.078, 2.082, 2.087, 2.092, 2.097, 2.102, 2.107, 2.111,\n & 2.116, 2.121, 2.126, 2.130, 2.135, 2.140, 2.145, 2.149, 2.154,\n & 2.159, 2.163, 2.168, 2.173, 2.177, 2.182, 2.187, 2.191, 2.196,\n & 2.201, 2.205, 2.210, 2.215, 2.264, 2.309, 2.353, 2.396, 2.439,\n & 2.481, 2.523, 2.564, 2.604, 2.643, 2.683, 2.721, 2.759, 2.797,\n & 2.834, 2.870, 2.906, 2.941, 2.976, 3.011, 3.045, 3.079, 3.112,\n & 3.145, 3.177, 3.210, 3.241, 3.273, 3.304, 3.334, 3.364, 3.394,\n & 3.424, 3.453, 3.482, 3.511, 3.539, 3.567, 3.595, 3.622, 3.649,\n & 3.676, 3.702, 3.729, 3.755, 3.781, 3.806, 3.831, 3.856, 3.881,\n & 3.906, 3.930, 3.954, 3.978, 4.002, 4.025, 4.048, 4.071, 4.094,\n & 4.117, 4.139, 4.161, 4.183, 4.205, 4.227, 4.248, 4.270, 4.291,\n & 4.312, 4.332, 4.353, 4.373, 4.394, 4.414, 4.434, 4.453, 4.473,\n & 4.493, 4.512, 4.531, 4.550, 4.569, 4.588, 4.606, 4.625, 4.643,\n & 4.661, 4.679, 4.697, 4.715, 4.733, 4.750, 4.768, 4.785, 4.802,\n & 4.819, 4.836, 4.853, 4.870, 4.886, 4.903, 4.919, 4.936, 4.952,\n & 4.968, 4.984, 5.000, 5.015, 5.031, 5.046, 5.062, 5.077, 5.093,\n & 5.108, 5.123, 5.138, 5.153, 5.167, 5.182, 5.197, 5.211, 5.226,\n & 5.240, 5.254, 5.268, 5.282, 5.296, 5.310, 5.324, 5.338, 5.352,\n & 5.365, 5.379, 5.392, 5.406, 5.419, 5.432, 5.445, 5.458, 5.471,\n & 5.484, 5.497, 5.510, 5.523, 5.535, 5.548, 5.560, 5.573, 5.585,\n & 5.598, 5.610, 5.622, 5.634, 5.646, 5.658, 5.670, 5.682, 5.694,\n & 5.706, 5.717, 5.729\n & /\nC\nC *** NaHSO4\nC\n DATA BNC12M/\n &-0.046,-0.096,-0.118,-0.132,-0.143,-0.151,-0.158,-0.163,-0.167,\n &-0.170,-0.173,-0.175,-0.177,-0.178,-0.179,-0.180,-0.180,-0.180,\n &-0.180,-0.180,-0.179,-0.179,-0.178,-0.177,-0.176,-0.174,-0.173,\n &-0.171,-0.170,-0.168,-0.166,-0.164,-0.162,-0.159,-0.157,-0.155,\n &-0.152,-0.150,-0.147,-0.144,-0.142,-0.139,-0.136,-0.133,-0.130,\n &-0.127,-0.124,-0.120,-0.117,-0.114,-0.110,-0.107,-0.104,-0.100,\n &-0.097,-0.093,-0.090,-0.086,-0.082,-0.079,-0.075,-0.071,-0.067,\n &-0.064,-0.060,-0.056,-0.052,-0.048,-0.044,-0.040,-0.036,-0.032,\n &-0.028,-0.024,-0.020,-0.015,-0.011,-0.007,-0.003, 0.002, 0.006,\n & 0.010, 0.015, 0.019, 0.024, 0.028, 0.033, 0.037, 0.042, 0.046,\n & 0.051, 0.056, 0.060, 0.065, 0.070, 0.075, 0.079, 0.084, 0.089,\n & 0.094, 0.099, 0.104, 0.109, 0.114, 0.119, 0.124, 0.129, 0.134,\n & 0.139, 0.144, 0.149, 0.154, 0.159, 0.164, 0.169, 0.174, 0.179,\n & 0.184, 0.189, 0.195, 0.200, 0.205, 0.210, 0.215, 0.220, 0.225,\n & 0.230, 0.236, 0.241, 0.246, 0.251, 0.256, 0.261, 0.266, 0.271,\n & 0.276, 0.281, 0.286, 0.291, 0.297, 0.302, 0.307, 0.312, 0.317,\n & 0.322, 0.327, 0.332, 0.337, 0.342, 0.347, 0.352, 0.357, 0.361,\n & 0.366, 0.371, 0.376, 0.381, 0.386, 0.391, 0.396, 0.401, 0.406,\n & 0.410, 0.415, 0.420, 0.425, 0.430, 0.434, 0.439, 0.444, 0.449,\n & 0.454, 0.458, 0.463, 0.468, 0.473, 0.477, 0.482, 0.487, 0.491,\n & 0.496, 0.501, 0.505, 0.510, 0.515, 0.519, 0.524, 0.529, 0.533,\n & 0.538, 0.542, 0.547, 0.551, 0.556, 0.560, 0.565, 0.570, 0.574,\n & 0.579, 0.583, 0.588, 0.592, 0.596, 0.601, 0.605, 0.610, 0.614,\n & 0.619, 0.623, 0.627, 0.632, 0.636, 0.641, 0.645, 0.649, 0.654,\n & 0.658, 0.662, 0.667, 0.671, 0.675, 0.680, 0.684, 0.688, 0.692,\n & 0.697, 0.701, 0.705, 0.709, 0.714, 0.718, 0.722, 0.726, 0.730,\n & 0.735, 0.739, 0.743, 0.747, 0.751, 0.755, 0.759, 0.764, 0.768,\n & 0.772, 0.776, 0.780, 0.784, 0.788, 0.792, 0.796, 0.800, 0.804,\n & 0.808, 0.812, 0.816, 0.820, 0.824, 0.828, 0.832, 0.836, 0.840,\n & 0.844, 0.848, 0.852, 0.856, 0.860, 0.864, 0.868, 0.872, 0.875,\n & 0.879, 0.883, 0.887, 0.891, 0.895, 0.899, 0.902, 0.906, 0.910,\n & 0.914, 0.918, 0.922, 0.925, 0.929, 0.933, 0.937, 0.940, 0.944,\n & 0.948, 0.952, 0.955, 0.959, 0.963, 0.967, 0.970, 0.974, 0.978,\n & 0.981, 0.985, 0.989, 0.992, 0.996, 1.000, 1.003, 1.007, 1.011,\n & 1.014, 1.018, 1.022, 1.025, 1.029, 1.032, 1.036, 1.040, 1.043,\n & 1.047, 1.050, 1.054, 1.057, 1.061, 1.064, 1.068, 1.071, 1.075,\n & 1.079, 1.082, 1.086, 1.089, 1.092, 1.096, 1.099, 1.103, 1.106,\n & 1.110, 1.113, 1.117, 1.120, 1.124, 1.127, 1.130, 1.134, 1.137,\n & 1.141, 1.144, 1.147, 1.151, 1.154, 1.158, 1.161, 1.164, 1.168,\n & 1.171, 1.174, 1.178, 1.181, 1.184, 1.188, 1.191, 1.194, 1.198,\n & 1.201, 1.204, 1.207, 1.211, 1.214, 1.217, 1.220, 1.224, 1.227,\n & 1.230, 1.233, 1.237, 1.240, 1.243, 1.246, 1.250, 1.253, 1.256,\n & 1.259, 1.262, 1.266, 1.269, 1.272, 1.275, 1.278, 1.281, 1.285,\n & 1.288, 1.291, 1.294, 1.297, 1.300, 1.303, 1.306, 1.310, 1.313,\n & 1.316, 1.319, 1.322, 1.325, 1.358, 1.388, 1.418, 1.447, 1.476,\n & 1.504, 1.532, 1.559, 1.586, 1.613, 1.639, 1.665, 1.691, 1.716,\n & 1.741, 1.766, 1.790, 1.814, 1.838, 1.861, 1.884, 1.907, 1.929,\n & 1.951, 1.973, 1.995, 2.016, 2.037, 2.058, 2.079, 2.099, 2.120,\n & 2.140, 2.159, 2.179, 2.198, 2.217, 2.236, 2.255, 2.274, 2.292,\n & 2.310, 2.328, 2.346, 2.363, 2.381, 2.398, 2.415, 2.432, 2.449,\n & 2.465, 2.482, 2.498, 2.514, 2.530, 2.546, 2.562, 2.577, 2.592,\n & 2.608, 2.623, 2.638, 2.653, 2.667, 2.682, 2.697, 2.711, 2.725,\n & 2.739, 2.753, 2.767, 2.781, 2.795, 2.808, 2.822, 2.835, 2.848,\n & 2.861, 2.874, 2.887, 2.900, 2.913, 2.925, 2.938, 2.950, 2.963,\n & 2.975, 2.987, 2.999, 3.011, 3.023, 3.035, 3.046, 3.058, 3.069,\n & 3.081, 3.092, 3.104, 3.115, 3.126, 3.137, 3.148, 3.159, 3.170,\n & 3.180, 3.191, 3.202, 3.212, 3.223, 3.233, 3.244, 3.254, 3.264,\n & 3.274, 3.284, 3.294, 3.304, 3.314, 3.324, 3.334, 3.343, 3.353,\n & 3.363, 3.372, 3.382, 3.391, 3.400, 3.410, 3.419, 3.428, 3.437,\n & 3.446, 3.455, 3.464, 3.473, 3.482, 3.491, 3.499, 3.508, 3.517,\n & 3.525, 3.534, 3.542, 3.551, 3.559, 3.568, 3.576, 3.584, 3.592,\n & 3.601, 3.609, 3.617, 3.625, 3.633, 3.641, 3.649, 3.657, 3.664,\n & 3.672, 3.680, 3.688\n & /\nC\nC *** (NH4)3H(SO4)2\nC\n DATA BNC13M/\n &-0.076,-0.165,-0.209,-0.240,-0.264,-0.284,-0.301,-0.316,-0.329,\n &-0.341,-0.352,-0.362,-0.371,-0.379,-0.387,-0.394,-0.401,-0.408,\n &-0.414,-0.420,-0.425,-0.430,-0.435,-0.440,-0.444,-0.449,-0.453,\n &-0.457,-0.460,-0.464,-0.467,-0.471,-0.474,-0.477,-0.480,-0.483,\n &-0.485,-0.488,-0.490,-0.493,-0.495,-0.497,-0.499,-0.501,-0.503,\n &-0.505,-0.507,-0.509,-0.510,-0.512,-0.514,-0.515,-0.516,-0.518,\n &-0.519,-0.520,-0.522,-0.523,-0.524,-0.525,-0.526,-0.527,-0.528,\n &-0.529,-0.530,-0.531,-0.532,-0.532,-0.533,-0.534,-0.534,-0.535,\n &-0.536,-0.536,-0.537,-0.537,-0.538,-0.538,-0.539,-0.539,-0.540,\n &-0.540,-0.540,-0.541,-0.541,-0.541,-0.542,-0.542,-0.542,-0.542,\n &-0.542,-0.543,-0.543,-0.543,-0.543,-0.543,-0.543,-0.543,-0.543,\n &-0.543,-0.543,-0.543,-0.543,-0.543,-0.543,-0.543,-0.543,-0.543,\n &-0.543,-0.542,-0.542,-0.542,-0.542,-0.542,-0.542,-0.542,-0.541,\n &-0.541,-0.541,-0.541,-0.540,-0.540,-0.540,-0.540,-0.540,-0.539,\n &-0.539,-0.539,-0.538,-0.538,-0.538,-0.538,-0.537,-0.537,-0.537,\n &-0.536,-0.536,-0.536,-0.536,-0.535,-0.535,-0.535,-0.534,-0.534,\n &-0.534,-0.533,-0.533,-0.533,-0.532,-0.532,-0.532,-0.531,-0.531,\n &-0.530,-0.530,-0.530,-0.529,-0.529,-0.529,-0.528,-0.528,-0.528,\n &-0.527,-0.527,-0.527,-0.526,-0.526,-0.525,-0.525,-0.525,-0.524,\n &-0.524,-0.524,-0.523,-0.523,-0.522,-0.522,-0.522,-0.521,-0.521,\n &-0.521,-0.520,-0.520,-0.519,-0.519,-0.519,-0.518,-0.518,-0.518,\n &-0.517,-0.517,-0.516,-0.516,-0.516,-0.515,-0.515,-0.515,-0.514,\n &-0.514,-0.513,-0.513,-0.513,-0.512,-0.512,-0.512,-0.511,-0.511,\n &-0.510,-0.510,-0.510,-0.509,-0.509,-0.509,-0.508,-0.508,-0.507,\n &-0.507,-0.507,-0.506,-0.506,-0.506,-0.505,-0.505,-0.504,-0.504,\n &-0.504,-0.503,-0.503,-0.503,-0.502,-0.502,-0.501,-0.501,-0.501,\n &-0.500,-0.500,-0.500,-0.499,-0.499,-0.499,-0.498,-0.498,-0.497,\n &-0.497,-0.497,-0.496,-0.496,-0.496,-0.495,-0.495,-0.495,-0.494,\n &-0.494,-0.493,-0.493,-0.493,-0.492,-0.492,-0.492,-0.491,-0.491,\n &-0.491,-0.490,-0.490,-0.490,-0.489,-0.489,-0.489,-0.488,-0.488,\n &-0.487,-0.487,-0.487,-0.486,-0.486,-0.486,-0.485,-0.485,-0.485,\n &-0.484,-0.484,-0.484,-0.483,-0.483,-0.483,-0.482,-0.482,-0.482,\n &-0.481,-0.481,-0.481,-0.480,-0.480,-0.480,-0.479,-0.479,-0.479,\n &-0.478,-0.478,-0.478,-0.477,-0.477,-0.477,-0.476,-0.476,-0.476,\n &-0.475,-0.475,-0.475,-0.474,-0.474,-0.474,-0.473,-0.473,-0.473,\n &-0.472,-0.472,-0.472,-0.471,-0.471,-0.471,-0.471,-0.470,-0.470,\n &-0.470,-0.469,-0.469,-0.469,-0.468,-0.468,-0.468,-0.467,-0.467,\n &-0.467,-0.466,-0.466,-0.466,-0.466,-0.465,-0.465,-0.465,-0.464,\n &-0.464,-0.464,-0.463,-0.463,-0.463,-0.463,-0.462,-0.462,-0.462,\n &-0.461,-0.461,-0.461,-0.460,-0.460,-0.460,-0.460,-0.459,-0.459,\n &-0.459,-0.458,-0.458,-0.458,-0.458,-0.457,-0.457,-0.457,-0.456,\n &-0.456,-0.456,-0.456,-0.455,-0.455,-0.455,-0.454,-0.454,-0.454,\n &-0.454,-0.453,-0.453,-0.453,-0.452,-0.452,-0.452,-0.452,-0.451,\n &-0.451,-0.451,-0.450,-0.450,-0.450,-0.450,-0.449,-0.449,-0.449,\n &-0.449,-0.448,-0.448,-0.448,-0.445,-0.442,-0.440,-0.437,-0.435,\n &-0.432,-0.430,-0.428,-0.426,-0.423,-0.421,-0.419,-0.417,-0.415,\n &-0.413,-0.411,-0.409,-0.407,-0.406,-0.404,-0.402,-0.401,-0.399,\n &-0.397,-0.396,-0.394,-0.393,-0.391,-0.390,-0.389,-0.387,-0.386,\n &-0.385,-0.383,-0.382,-0.381,-0.380,-0.379,-0.378,-0.377,-0.376,\n &-0.375,-0.374,-0.373,-0.372,-0.371,-0.370,-0.369,-0.368,-0.367,\n &-0.367,-0.366,-0.365,-0.364,-0.364,-0.363,-0.362,-0.362,-0.361,\n &-0.361,-0.360,-0.360,-0.359,-0.359,-0.358,-0.358,-0.357,-0.357,\n &-0.356,-0.356,-0.356,-0.355,-0.355,-0.355,-0.354,-0.354,-0.354,\n &-0.354,-0.353,-0.353,-0.353,-0.353,-0.353,-0.352,-0.352,-0.352,\n &-0.352,-0.352,-0.352,-0.352,-0.352,-0.352,-0.352,-0.352,-0.352,\n &-0.352,-0.352,-0.352,-0.352,-0.352,-0.352,-0.352,-0.352,-0.352,\n &-0.352,-0.353,-0.353,-0.353,-0.353,-0.353,-0.353,-0.354,-0.354,\n &-0.354,-0.354,-0.355,-0.355,-0.355,-0.355,-0.356,-0.356,-0.356,\n &-0.357,-0.357,-0.357,-0.358,-0.358,-0.358,-0.359,-0.359,-0.359,\n &-0.360,-0.360,-0.361,-0.361,-0.362,-0.362,-0.362,-0.363,-0.363,\n &-0.364,-0.364,-0.365,-0.365,-0.366,-0.366,-0.367,-0.367,-0.368,\n &-0.369,-0.369,-0.370,-0.370,-0.371,-0.371,-0.372,-0.373,-0.373,\n &-0.374,-0.374,-0.375\n & /\nC\nC *** CASO4\nC\n DATA BNC14M/\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000\n & /\nC\nC *** CANO32\nC\n DATA BNC15M/\n &-0.094,-0.201,-0.251,-0.286,-0.312,-0.334,-0.351,-0.366,-0.379,\n &-0.390,-0.400,-0.409,-0.417,-0.424,-0.430,-0.436,-0.442,-0.447,\n &-0.451,-0.455,-0.459,-0.463,-0.466,-0.469,-0.472,-0.475,-0.477,\n &-0.479,-0.481,-0.483,-0.485,-0.487,-0.489,-0.490,-0.491,-0.493,\n &-0.494,-0.495,-0.496,-0.497,-0.498,-0.499,-0.500,-0.501,-0.501,\n &-0.502,-0.503,-0.503,-0.504,-0.504,-0.505,-0.505,-0.505,-0.506,\n &-0.506,-0.506,-0.507,-0.507,-0.507,-0.507,-0.507,-0.508,-0.508,\n &-0.508,-0.508,-0.508,-0.508,-0.508,-0.508,-0.508,-0.508,-0.508,\n &-0.508,-0.507,-0.507,-0.507,-0.507,-0.507,-0.506,-0.506,-0.506,\n &-0.506,-0.505,-0.505,-0.505,-0.504,-0.504,-0.503,-0.503,-0.502,\n &-0.502,-0.501,-0.501,-0.500,-0.500,-0.499,-0.499,-0.498,-0.497,\n &-0.497,-0.496,-0.495,-0.495,-0.494,-0.493,-0.493,-0.492,-0.491,\n &-0.490,-0.489,-0.489,-0.488,-0.487,-0.486,-0.485,-0.485,-0.484,\n &-0.483,-0.482,-0.481,-0.480,-0.479,-0.478,-0.477,-0.477,-0.476,\n &-0.475,-0.474,-0.473,-0.472,-0.471,-0.470,-0.469,-0.468,-0.467,\n &-0.466,-0.465,-0.464,-0.463,-0.462,-0.461,-0.460,-0.459,-0.459,\n &-0.458,-0.457,-0.456,-0.455,-0.454,-0.453,-0.452,-0.451,-0.450,\n &-0.449,-0.448,-0.447,-0.446,-0.445,-0.444,-0.443,-0.442,-0.441,\n &-0.440,-0.439,-0.438,-0.437,-0.436,-0.435,-0.434,-0.433,-0.432,\n &-0.431,-0.430,-0.429,-0.428,-0.427,-0.426,-0.425,-0.424,-0.423,\n &-0.422,-0.421,-0.420,-0.419,-0.418,-0.417,-0.416,-0.415,-0.414,\n &-0.413,-0.412,-0.411,-0.410,-0.409,-0.408,-0.407,-0.406,-0.405,\n &-0.404,-0.403,-0.402,-0.401,-0.400,-0.399,-0.398,-0.397,-0.396,\n &-0.395,-0.394,-0.393,-0.392,-0.391,-0.390,-0.389,-0.388,-0.387,\n &-0.386,-0.385,-0.384,-0.383,-0.382,-0.382,-0.381,-0.380,-0.379,\n &-0.378,-0.377,-0.376,-0.375,-0.374,-0.373,-0.372,-0.371,-0.370,\n &-0.369,-0.368,-0.367,-0.366,-0.365,-0.364,-0.363,-0.362,-0.361,\n &-0.360,-0.359,-0.359,-0.358,-0.357,-0.356,-0.355,-0.354,-0.353,\n &-0.352,-0.351,-0.350,-0.349,-0.348,-0.347,-0.346,-0.345,-0.344,\n &-0.344,-0.343,-0.342,-0.341,-0.340,-0.339,-0.338,-0.337,-0.336,\n &-0.335,-0.334,-0.333,-0.332,-0.332,-0.331,-0.330,-0.329,-0.328,\n &-0.327,-0.326,-0.325,-0.324,-0.323,-0.323,-0.322,-0.321,-0.320,\n &-0.319,-0.318,-0.317,-0.316,-0.315,-0.314,-0.314,-0.313,-0.312,\n &-0.311,-0.310,-0.309,-0.308,-0.307,-0.307,-0.306,-0.305,-0.304,\n &-0.303,-0.302,-0.301,-0.300,-0.300,-0.299,-0.298,-0.297,-0.296,\n &-0.295,-0.294,-0.294,-0.293,-0.292,-0.291,-0.290,-0.289,-0.288,\n &-0.288,-0.287,-0.286,-0.285,-0.284,-0.283,-0.282,-0.282,-0.281,\n &-0.280,-0.279,-0.278,-0.277,-0.277,-0.276,-0.275,-0.274,-0.273,\n &-0.273,-0.272,-0.271,-0.270,-0.269,-0.268,-0.268,-0.267,-0.266,\n &-0.265,-0.264,-0.263,-0.263,-0.262,-0.261,-0.260,-0.259,-0.259,\n &-0.258,-0.257,-0.256,-0.255,-0.255,-0.254,-0.253,-0.252,-0.251,\n &-0.251,-0.250,-0.249,-0.248,-0.248,-0.247,-0.246,-0.245,-0.244,\n &-0.244,-0.243,-0.242,-0.241,-0.240,-0.240,-0.239,-0.238,-0.237,\n &-0.237,-0.236,-0.235,-0.234,-0.234,-0.233,-0.232,-0.231,-0.230,\n &-0.230,-0.229,-0.228,-0.227,-0.219,-0.212,-0.205,-0.198,-0.191,\n &-0.184,-0.177,-0.170,-0.163,-0.157,-0.151,-0.144,-0.138,-0.132,\n &-0.126,-0.120,-0.114,-0.108,-0.103,-0.097,-0.091,-0.086,-0.081,\n &-0.075,-0.070,-0.065,-0.060,-0.055,-0.050,-0.045,-0.041,-0.036,\n &-0.031,-0.027,-0.022,-0.018,-0.014,-0.009,-0.005,-0.001, 0.003,\n & 0.007, 0.011, 0.015, 0.019, 0.023, 0.027, 0.031, 0.034, 0.038,\n & 0.041, 0.045, 0.048, 0.052, 0.055, 0.059, 0.062, 0.065, 0.068,\n & 0.071, 0.075, 0.078, 0.081, 0.084, 0.087, 0.089, 0.092, 0.095,\n & 0.098, 0.101, 0.103, 0.106, 0.109, 0.111, 0.114, 0.116, 0.119,\n & 0.121, 0.124, 0.126, 0.128, 0.131, 0.133, 0.135, 0.138, 0.140,\n & 0.142, 0.144, 0.146, 0.148, 0.150, 0.152, 0.154, 0.156, 0.158,\n & 0.160, 0.162, 0.164, 0.166, 0.167, 0.169, 0.171, 0.173, 0.174,\n & 0.176, 0.178, 0.179, 0.181, 0.182, 0.184, 0.186, 0.187, 0.189,\n & 0.190, 0.191, 0.193, 0.194, 0.196, 0.197, 0.198, 0.200, 0.201,\n & 0.202, 0.203, 0.205, 0.206, 0.207, 0.208, 0.209, 0.210, 0.212,\n & 0.213, 0.214, 0.215, 0.216, 0.217, 0.218, 0.219, 0.220, 0.221,\n & 0.222, 0.222, 0.223, 0.224, 0.225, 0.226, 0.227, 0.228, 0.228,\n & 0.229, 0.230, 0.231, 0.231, 0.232, 0.233, 0.234, 0.234, 0.235,\n & 0.235, 0.236, 0.237\n & /\nC\nC *** CACL2\nC\n DATA BNC16M/\n &-0.093,-0.193,-0.238,-0.267,-0.288,-0.304,-0.316,-0.326,-0.334,\n &-0.340,-0.345,-0.350,-0.353,-0.355,-0.357,-0.359,-0.360,-0.360,\n &-0.360,-0.360,-0.359,-0.358,-0.357,-0.356,-0.355,-0.353,-0.351,\n &-0.349,-0.347,-0.345,-0.342,-0.340,-0.337,-0.335,-0.332,-0.329,\n &-0.326,-0.323,-0.321,-0.317,-0.314,-0.311,-0.308,-0.305,-0.302,\n &-0.299,-0.295,-0.292,-0.289,-0.286,-0.282,-0.279,-0.276,-0.272,\n &-0.269,-0.266,-0.262,-0.259,-0.255,-0.252,-0.249,-0.245,-0.242,\n &-0.238,-0.235,-0.231,-0.228,-0.224,-0.221,-0.217,-0.213,-0.210,\n &-0.206,-0.203,-0.199,-0.195,-0.192,-0.188,-0.184,-0.180,-0.177,\n &-0.173,-0.169,-0.165,-0.161,-0.157,-0.153,-0.149,-0.145,-0.141,\n &-0.137,-0.133,-0.129,-0.125,-0.120,-0.116,-0.112,-0.108,-0.103,\n &-0.099,-0.095,-0.090,-0.086,-0.081,-0.077,-0.073,-0.068,-0.064,\n &-0.059,-0.054,-0.050,-0.045,-0.041,-0.036,-0.032,-0.027,-0.022,\n &-0.018,-0.013,-0.008,-0.004, 0.001, 0.005, 0.010, 0.015, 0.019,\n & 0.024, 0.029, 0.033, 0.038, 0.043, 0.048, 0.052, 0.057, 0.062,\n & 0.066, 0.071, 0.076, 0.080, 0.085, 0.090, 0.094, 0.099, 0.103,\n & 0.108, 0.113, 0.117, 0.122, 0.127, 0.131, 0.136, 0.141, 0.145,\n & 0.150, 0.154, 0.159, 0.164, 0.168, 0.173, 0.177, 0.182, 0.186,\n & 0.191, 0.196, 0.200, 0.205, 0.209, 0.214, 0.218, 0.223, 0.227,\n & 0.232, 0.236, 0.241, 0.245, 0.250, 0.254, 0.259, 0.263, 0.268,\n & 0.272, 0.277, 0.281, 0.286, 0.290, 0.294, 0.299, 0.303, 0.308,\n & 0.312, 0.317, 0.321, 0.325, 0.330, 0.334, 0.338, 0.343, 0.347,\n & 0.352, 0.356, 0.360, 0.365, 0.369, 0.373, 0.378, 0.382, 0.386,\n & 0.390, 0.395, 0.399, 0.403, 0.408, 0.412, 0.416, 0.420, 0.425,\n & 0.429, 0.433, 0.437, 0.442, 0.446, 0.450, 0.454, 0.458, 0.463,\n & 0.467, 0.471, 0.475, 0.479, 0.483, 0.488, 0.492, 0.496, 0.500,\n & 0.504, 0.508, 0.512, 0.516, 0.521, 0.525, 0.529, 0.533, 0.537,\n & 0.541, 0.545, 0.549, 0.553, 0.557, 0.561, 0.565, 0.569, 0.573,\n & 0.577, 0.581, 0.585, 0.589, 0.593, 0.597, 0.601, 0.605, 0.609,\n & 0.613, 0.617, 0.621, 0.625, 0.629, 0.633, 0.637, 0.641, 0.644,\n & 0.648, 0.652, 0.656, 0.660, 0.664, 0.668, 0.672, 0.675, 0.679,\n & 0.683, 0.687, 0.691, 0.695, 0.698, 0.702, 0.706, 0.710, 0.714,\n & 0.717, 0.721, 0.725, 0.729, 0.733, 0.736, 0.740, 0.744, 0.748,\n & 0.751, 0.755, 0.759, 0.762, 0.766, 0.770, 0.774, 0.777, 0.781,\n & 0.785, 0.788, 0.792, 0.796, 0.799, 0.803, 0.807, 0.810, 0.814,\n & 0.818, 0.821, 0.825, 0.828, 0.832, 0.836, 0.839, 0.843, 0.846,\n & 0.850, 0.853, 0.857, 0.861, 0.864, 0.868, 0.871, 0.875, 0.878,\n & 0.882, 0.885, 0.889, 0.892, 0.896, 0.899, 0.903, 0.906, 0.910,\n & 0.913, 0.917, 0.920, 0.924, 0.927, 0.931, 0.934, 0.938, 0.941,\n & 0.944, 0.948, 0.951, 0.955, 0.958, 0.961, 0.965, 0.968, 0.972,\n & 0.975, 0.978, 0.982, 0.985, 0.988, 0.992, 0.995, 0.999, 1.002,\n & 1.005, 1.009, 1.012, 1.015, 1.018, 1.022, 1.025, 1.028, 1.032,\n & 1.035, 1.038, 1.042, 1.045, 1.048, 1.051, 1.055, 1.058, 1.061,\n & 1.064, 1.068, 1.071, 1.074, 1.077, 1.080, 1.084, 1.087, 1.090,\n & 1.093, 1.096, 1.100, 1.103, 1.137, 1.168, 1.199, 1.229, 1.259,\n & 1.288, 1.317, 1.345, 1.373, 1.401, 1.428, 1.455, 1.482, 1.508,\n & 1.534, 1.559, 1.584, 1.609, 1.634, 1.658, 1.682, 1.706, 1.729,\n & 1.752, 1.775, 1.797, 1.819, 1.841, 1.863, 1.884, 1.905, 1.926,\n & 1.947, 1.967, 1.988, 2.008, 2.027, 2.047, 2.066, 2.085, 2.104,\n & 2.123, 2.141, 2.160, 2.178, 2.196, 2.214, 2.231, 2.249, 2.266,\n & 2.283, 2.300, 2.316, 2.333, 2.349, 2.365, 2.381, 2.397, 2.413,\n & 2.429, 2.444, 2.459, 2.475, 2.490, 2.504, 2.519, 2.534, 2.548,\n & 2.563, 2.577, 2.591, 2.605, 2.619, 2.632, 2.646, 2.659, 2.673,\n & 2.686, 2.699, 2.712, 2.725, 2.738, 2.751, 2.763, 2.776, 2.788,\n & 2.800, 2.813, 2.825, 2.837, 2.849, 2.860, 2.872, 2.884, 2.895,\n & 2.907, 2.918, 2.929, 2.940, 2.952, 2.963, 2.973, 2.984, 2.995,\n & 3.006, 3.016, 3.027, 3.037, 3.048, 3.058, 3.068, 3.078, 3.088,\n & 3.098, 3.108, 3.118, 3.128, 3.137, 3.147, 3.157, 3.166, 3.176,\n & 3.185, 3.194, 3.203, 3.213, 3.222, 3.231, 3.240, 3.249, 3.258,\n & 3.266, 3.275, 3.284, 3.292, 3.301, 3.309, 3.318, 3.326, 3.335,\n & 3.343, 3.351, 3.359, 3.368, 3.376, 3.384, 3.392, 3.399, 3.407,\n & 3.415, 3.423, 3.431, 3.438, 3.446, 3.454, 3.461, 3.469, 3.476,\n & 3.483, 3.491, 3.498\n & /\nC\nC *** K2SO4\nC\n DATA BNC17M/\n &-0.096,-0.208,-0.265,-0.305,-0.337,-0.363,-0.385,-0.405,-0.423,\n &-0.439,-0.453,-0.467,-0.479,-0.491,-0.502,-0.512,-0.522,-0.531,\n &-0.540,-0.548,-0.556,-0.564,-0.571,-0.578,-0.585,-0.592,-0.598,\n &-0.605,-0.610,-0.616,-0.622,-0.627,-0.633,-0.638,-0.643,-0.648,\n &-0.653,-0.657,-0.662,-0.666,-0.671,-0.675,-0.679,-0.683,-0.688,\n &-0.691,-0.695,-0.699,-0.703,-0.707,-0.710,-0.714,-0.717,-0.721,\n &-0.724,-0.727,-0.731,-0.734,-0.737,-0.740,-0.743,-0.746,-0.749,\n &-0.752,-0.755,-0.758,-0.761,-0.763,-0.766,-0.769,-0.772,-0.774,\n &-0.777,-0.780,-0.782,-0.785,-0.787,-0.790,-0.792,-0.795,-0.797,\n &-0.799,-0.802,-0.804,-0.807,-0.809,-0.811,-0.814,-0.816,-0.818,\n &-0.820,-0.823,-0.825,-0.827,-0.829,-0.831,-0.833,-0.836,-0.838,\n &-0.840,-0.842,-0.844,-0.846,-0.848,-0.850,-0.852,-0.854,-0.856,\n &-0.858,-0.860,-0.862,-0.864,-0.866,-0.868,-0.870,-0.872,-0.874,\n &-0.875,-0.877,-0.879,-0.881,-0.883,-0.885,-0.887,-0.888,-0.890,\n &-0.892,-0.894,-0.895,-0.897,-0.899,-0.901,-0.902,-0.904,-0.906,\n &-0.908,-0.909,-0.911,-0.913,-0.914,-0.916,-0.918,-0.919,-0.921,\n &-0.923,-0.924,-0.926,-0.927,-0.929,-0.931,-0.932,-0.934,-0.935,\n &-0.937,-0.938,-0.940,-0.942,-0.943,-0.945,-0.946,-0.948,-0.949,\n &-0.951,-0.952,-0.954,-0.955,-0.957,-0.958,-0.960,-0.961,-0.962,\n &-0.964,-0.965,-0.967,-0.968,-0.970,-0.971,-0.972,-0.974,-0.975,\n &-0.977,-0.978,-0.979,-0.981,-0.982,-0.984,-0.985,-0.986,-0.988,\n &-0.989,-0.990,-0.992,-0.993,-0.994,-0.996,-0.997,-0.998,-1.000,\n &-1.001,-1.002,-1.004,-1.005,-1.006,-1.007,-1.009,-1.010,-1.011,\n &-1.013,-1.014,-1.015,-1.016,-1.018,-1.019,-1.020,-1.021,-1.023,\n &-1.024,-1.025,-1.026,-1.027,-1.029,-1.030,-1.031,-1.032,-1.034,\n &-1.035,-1.036,-1.037,-1.038,-1.039,-1.041,-1.042,-1.043,-1.044,\n &-1.045,-1.047,-1.048,-1.049,-1.050,-1.051,-1.052,-1.053,-1.055,\n &-1.056,-1.057,-1.058,-1.059,-1.060,-1.061,-1.063,-1.064,-1.065,\n &-1.066,-1.067,-1.068,-1.069,-1.070,-1.071,-1.073,-1.074,-1.075,\n &-1.076,-1.077,-1.078,-1.079,-1.080,-1.081,-1.082,-1.083,-1.084,\n &-1.086,-1.087,-1.088,-1.089,-1.090,-1.091,-1.092,-1.093,-1.094,\n &-1.095,-1.096,-1.097,-1.098,-1.099,-1.100,-1.101,-1.102,-1.103,\n &-1.104,-1.105,-1.106,-1.107,-1.108,-1.109,-1.110,-1.111,-1.112,\n &-1.114,-1.115,-1.116,-1.117,-1.118,-1.119,-1.119,-1.120,-1.121,\n &-1.122,-1.123,-1.124,-1.125,-1.126,-1.127,-1.128,-1.129,-1.130,\n &-1.131,-1.132,-1.133,-1.134,-1.135,-1.136,-1.137,-1.138,-1.139,\n &-1.140,-1.141,-1.142,-1.143,-1.144,-1.145,-1.146,-1.147,-1.147,\n &-1.148,-1.149,-1.150,-1.151,-1.152,-1.153,-1.154,-1.155,-1.156,\n &-1.157,-1.158,-1.159,-1.160,-1.160,-1.161,-1.162,-1.163,-1.164,\n &-1.165,-1.166,-1.167,-1.168,-1.169,-1.169,-1.170,-1.171,-1.172,\n &-1.173,-1.174,-1.175,-1.176,-1.177,-1.178,-1.178,-1.179,-1.180,\n &-1.181,-1.182,-1.183,-1.184,-1.185,-1.185,-1.186,-1.187,-1.188,\n &-1.189,-1.190,-1.191,-1.191,-1.192,-1.193,-1.194,-1.195,-1.196,\n &-1.197,-1.198,-1.198,-1.199,-1.200,-1.201,-1.202,-1.203,-1.203,\n &-1.204,-1.205,-1.206,-1.207,-1.216,-1.224,-1.232,-1.240,-1.248,\n &-1.256,-1.263,-1.271,-1.279,-1.286,-1.293,-1.301,-1.308,-1.315,\n &-1.322,-1.329,-1.336,-1.343,-1.349,-1.356,-1.363,-1.369,-1.376,\n &-1.382,-1.389,-1.395,-1.402,-1.408,-1.414,-1.420,-1.427,-1.433,\n &-1.439,-1.445,-1.451,-1.457,-1.463,-1.468,-1.474,-1.480,-1.486,\n &-1.492,-1.497,-1.503,-1.509,-1.514,-1.520,-1.525,-1.531,-1.536,\n &-1.542,-1.547,-1.553,-1.558,-1.563,-1.569,-1.574,-1.579,-1.585,\n &-1.590,-1.595,-1.600,-1.605,-1.611,-1.616,-1.621,-1.626,-1.631,\n &-1.636,-1.641,-1.646,-1.651,-1.656,-1.661,-1.666,-1.671,-1.676,\n &-1.681,-1.685,-1.690,-1.695,-1.700,-1.705,-1.710,-1.714,-1.719,\n &-1.724,-1.729,-1.733,-1.738,-1.743,-1.747,-1.752,-1.757,-1.761,\n &-1.766,-1.770,-1.775,-1.780,-1.784,-1.789,-1.793,-1.798,-1.802,\n &-1.807,-1.811,-1.816,-1.820,-1.825,-1.829,-1.834,-1.838,-1.842,\n &-1.847,-1.851,-1.856,-1.860,-1.864,-1.869,-1.873,-1.877,-1.882,\n &-1.886,-1.890,-1.895,-1.899,-1.903,-1.908,-1.912,-1.916,-1.920,\n &-1.925,-1.929,-1.933,-1.937,-1.941,-1.946,-1.950,-1.954,-1.958,\n &-1.962,-1.966,-1.971,-1.975,-1.979,-1.983,-1.987,-1.991,-1.995,\n &-2.000,-2.004,-2.008,-2.012,-2.016,-2.020,-2.024,-2.028,-2.032,\n &-2.036,-2.040,-2.044\n & /\nC\nC *** KHSO4\nC\n DATA BNC18M/\n &-0.047,-0.099,-0.124,-0.141,-0.154,-0.165,-0.173,-0.181,-0.187,\n &-0.193,-0.198,-0.202,-0.206,-0.209,-0.212,-0.215,-0.217,-0.220,\n &-0.221,-0.223,-0.225,-0.226,-0.227,-0.228,-0.229,-0.229,-0.230,\n &-0.230,-0.230,-0.230,-0.230,-0.230,-0.230,-0.229,-0.229,-0.228,\n &-0.228,-0.227,-0.226,-0.225,-0.224,-0.223,-0.222,-0.221,-0.220,\n &-0.218,-0.217,-0.215,-0.214,-0.212,-0.210,-0.209,-0.207,-0.205,\n &-0.203,-0.201,-0.199,-0.197,-0.195,-0.193,-0.191,-0.189,-0.187,\n &-0.185,-0.182,-0.180,-0.178,-0.175,-0.173,-0.171,-0.168,-0.166,\n &-0.163,-0.160,-0.158,-0.155,-0.153,-0.150,-0.147,-0.144,-0.142,\n &-0.139,-0.136,-0.133,-0.130,-0.127,-0.124,-0.121,-0.118,-0.115,\n &-0.112,-0.109,-0.106,-0.103,-0.100,-0.097,-0.094,-0.091,-0.087,\n &-0.084,-0.081,-0.078,-0.074,-0.071,-0.068,-0.064,-0.061,-0.058,\n &-0.054,-0.051,-0.047,-0.044,-0.041,-0.037,-0.034,-0.030,-0.027,\n &-0.023,-0.020,-0.017,-0.013,-0.010,-0.006,-0.003, 0.001, 0.004,\n & 0.008, 0.011, 0.015, 0.018, 0.021, 0.025, 0.028, 0.032, 0.035,\n & 0.039, 0.042, 0.046, 0.049, 0.052, 0.056, 0.059, 0.063, 0.066,\n & 0.069, 0.073, 0.076, 0.079, 0.083, 0.086, 0.090, 0.093, 0.096,\n & 0.100, 0.103, 0.106, 0.110, 0.113, 0.116, 0.119, 0.123, 0.126,\n & 0.129, 0.133, 0.136, 0.139, 0.142, 0.146, 0.149, 0.152, 0.155,\n & 0.158, 0.162, 0.165, 0.168, 0.171, 0.174, 0.177, 0.181, 0.184,\n & 0.187, 0.190, 0.193, 0.196, 0.199, 0.203, 0.206, 0.209, 0.212,\n & 0.215, 0.218, 0.221, 0.224, 0.227, 0.230, 0.233, 0.236, 0.239,\n & 0.242, 0.245, 0.248, 0.251, 0.254, 0.257, 0.260, 0.263, 0.266,\n & 0.269, 0.272, 0.275, 0.278, 0.281, 0.284, 0.287, 0.290, 0.292,\n & 0.295, 0.298, 0.301, 0.304, 0.307, 0.310, 0.313, 0.315, 0.318,\n & 0.321, 0.324, 0.327, 0.330, 0.332, 0.335, 0.338, 0.341, 0.343,\n & 0.346, 0.349, 0.352, 0.355, 0.357, 0.360, 0.363, 0.366, 0.368,\n & 0.371, 0.374, 0.376, 0.379, 0.382, 0.384, 0.387, 0.390, 0.393,\n & 0.395, 0.398, 0.400, 0.403, 0.406, 0.408, 0.411, 0.414, 0.416,\n & 0.419, 0.422, 0.424, 0.427, 0.429, 0.432, 0.434, 0.437, 0.440,\n & 0.442, 0.445, 0.447, 0.450, 0.452, 0.455, 0.457, 0.460, 0.463,\n & 0.465, 0.468, 0.470, 0.473, 0.475, 0.478, 0.480, 0.483, 0.485,\n & 0.487, 0.490, 0.492, 0.495, 0.497, 0.500, 0.502, 0.505, 0.507,\n & 0.509, 0.512, 0.514, 0.517, 0.519, 0.522, 0.524, 0.526, 0.529,\n & 0.531, 0.533, 0.536, 0.538, 0.541, 0.543, 0.545, 0.548, 0.550,\n & 0.552, 0.555, 0.557, 0.559, 0.562, 0.564, 0.566, 0.569, 0.571,\n & 0.573, 0.575, 0.578, 0.580, 0.582, 0.585, 0.587, 0.589, 0.591,\n & 0.594, 0.596, 0.598, 0.600, 0.603, 0.605, 0.607, 0.609, 0.612,\n & 0.614, 0.616, 0.618, 0.621, 0.623, 0.625, 0.627, 0.629, 0.632,\n & 0.634, 0.636, 0.638, 0.640, 0.642, 0.645, 0.647, 0.649, 0.651,\n & 0.653, 0.655, 0.658, 0.660, 0.662, 0.664, 0.666, 0.668, 0.670,\n & 0.672, 0.675, 0.677, 0.679, 0.681, 0.683, 0.685, 0.687, 0.689,\n & 0.691, 0.693, 0.695, 0.698, 0.700, 0.702, 0.704, 0.706, 0.708,\n & 0.710, 0.712, 0.714, 0.716, 0.718, 0.720, 0.722, 0.724, 0.726,\n & 0.728, 0.730, 0.732, 0.734, 0.756, 0.775, 0.795, 0.814, 0.832,\n & 0.851, 0.869, 0.886, 0.904, 0.921, 0.938, 0.955, 0.972, 0.988,\n & 1.004, 1.020, 1.036, 1.051, 1.066, 1.081, 1.096, 1.111, 1.125,\n & 1.140, 1.154, 1.168, 1.181, 1.195, 1.208, 1.222, 1.235, 1.248,\n & 1.261, 1.273, 1.286, 1.298, 1.311, 1.323, 1.335, 1.347, 1.358,\n & 1.370, 1.381, 1.393, 1.404, 1.415, 1.426, 1.437, 1.448, 1.459,\n & 1.469, 1.480, 1.490, 1.500, 1.510, 1.521, 1.531, 1.540, 1.550,\n & 1.560, 1.570, 1.579, 1.589, 1.598, 1.607, 1.616, 1.625, 1.635,\n & 1.643, 1.652, 1.661, 1.670, 1.679, 1.687, 1.696, 1.704, 1.712,\n & 1.721, 1.729, 1.737, 1.745, 1.753, 1.761, 1.769, 1.777, 1.785,\n & 1.792, 1.800, 1.808, 1.815, 1.823, 1.830, 1.838, 1.845, 1.852,\n & 1.859, 1.866, 1.874, 1.881, 1.888, 1.895, 1.901, 1.908, 1.915,\n & 1.922, 1.929, 1.935, 1.942, 1.948, 1.955, 1.961, 1.968, 1.974,\n & 1.980, 1.987, 1.993, 1.999, 2.005, 2.011, 2.018, 2.024, 2.030,\n & 2.036, 2.041, 2.047, 2.053, 2.059, 2.065, 2.070, 2.076, 2.082,\n & 2.087, 2.093, 2.099, 2.104, 2.110, 2.115, 2.120, 2.126, 2.131,\n & 2.136, 2.142, 2.147, 2.152, 2.157, 2.163, 2.168, 2.173, 2.178,\n & 2.183, 2.188, 2.193, 2.198, 2.203, 2.208, 2.212, 2.217, 2.222,\n & 2.227, 2.232, 2.236\n & /\nC\nC *** KNO3\nC\n DATA BNC19M/\n &-0.049,-0.112,-0.147,-0.173,-0.194,-0.213,-0.230,-0.245,-0.259,\n &-0.272,-0.285,-0.297,-0.308,-0.319,-0.329,-0.339,-0.348,-0.358,\n &-0.367,-0.376,-0.384,-0.392,-0.401,-0.408,-0.416,-0.424,-0.431,\n &-0.439,-0.446,-0.453,-0.460,-0.466,-0.473,-0.479,-0.486,-0.492,\n &-0.498,-0.504,-0.510,-0.516,-0.522,-0.528,-0.533,-0.539,-0.544,\n &-0.550,-0.555,-0.560,-0.565,-0.571,-0.576,-0.580,-0.585,-0.590,\n &-0.595,-0.600,-0.604,-0.609,-0.613,-0.618,-0.622,-0.627,-0.631,\n &-0.635,-0.640,-0.644,-0.648,-0.652,-0.656,-0.660,-0.664,-0.668,\n &-0.672,-0.676,-0.680,-0.684,-0.688,-0.692,-0.696,-0.700,-0.704,\n &-0.707,-0.711,-0.715,-0.719,-0.722,-0.726,-0.730,-0.734,-0.737,\n &-0.741,-0.745,-0.748,-0.752,-0.755,-0.759,-0.763,-0.766,-0.770,\n &-0.773,-0.777,-0.780,-0.784,-0.788,-0.791,-0.795,-0.798,-0.801,\n &-0.805,-0.808,-0.812,-0.815,-0.819,-0.822,-0.825,-0.829,-0.832,\n &-0.835,-0.839,-0.842,-0.845,-0.849,-0.852,-0.855,-0.858,-0.862,\n &-0.865,-0.868,-0.871,-0.874,-0.878,-0.881,-0.884,-0.887,-0.890,\n &-0.893,-0.896,-0.899,-0.902,-0.905,-0.908,-0.911,-0.914,-0.917,\n &-0.920,-0.923,-0.926,-0.929,-0.932,-0.935,-0.937,-0.940,-0.943,\n &-0.946,-0.949,-0.951,-0.954,-0.957,-0.960,-0.963,-0.965,-0.968,\n &-0.971,-0.973,-0.976,-0.979,-0.981,-0.984,-0.987,-0.989,-0.992,\n &-0.994,-0.997,-0.999,-1.002,-1.005,-1.007,-1.010,-1.012,-1.015,\n &-1.017,-1.020,-1.022,-1.024,-1.027,-1.029,-1.032,-1.034,-1.036,\n &-1.039,-1.041,-1.044,-1.046,-1.048,-1.051,-1.053,-1.055,-1.057,\n &-1.060,-1.062,-1.064,-1.067,-1.069,-1.071,-1.073,-1.075,-1.078,\n &-1.080,-1.082,-1.084,-1.086,-1.089,-1.091,-1.093,-1.095,-1.097,\n &-1.099,-1.101,-1.103,-1.106,-1.108,-1.110,-1.112,-1.114,-1.116,\n &-1.118,-1.120,-1.122,-1.124,-1.126,-1.128,-1.130,-1.132,-1.134,\n &-1.136,-1.138,-1.140,-1.142,-1.144,-1.145,-1.147,-1.149,-1.151,\n &-1.153,-1.155,-1.157,-1.159,-1.160,-1.162,-1.164,-1.166,-1.168,\n &-1.170,-1.171,-1.173,-1.175,-1.177,-1.179,-1.180,-1.182,-1.184,\n &-1.186,-1.187,-1.189,-1.191,-1.193,-1.194,-1.196,-1.198,-1.199,\n &-1.201,-1.203,-1.205,-1.206,-1.208,-1.210,-1.211,-1.213,-1.214,\n &-1.216,-1.218,-1.219,-1.221,-1.223,-1.224,-1.226,-1.227,-1.229,\n &-1.231,-1.232,-1.234,-1.235,-1.237,-1.238,-1.240,-1.241,-1.243,\n &-1.244,-1.246,-1.248,-1.249,-1.251,-1.252,-1.254,-1.255,-1.256,\n &-1.258,-1.259,-1.261,-1.262,-1.264,-1.265,-1.267,-1.268,-1.270,\n &-1.271,-1.272,-1.274,-1.275,-1.277,-1.278,-1.279,-1.281,-1.282,\n &-1.284,-1.285,-1.286,-1.288,-1.289,-1.290,-1.292,-1.293,-1.294,\n &-1.296,-1.297,-1.298,-1.300,-1.301,-1.302,-1.304,-1.305,-1.306,\n &-1.308,-1.309,-1.310,-1.311,-1.313,-1.314,-1.315,-1.316,-1.318,\n &-1.319,-1.320,-1.321,-1.323,-1.324,-1.325,-1.326,-1.328,-1.329,\n &-1.330,-1.331,-1.332,-1.334,-1.335,-1.336,-1.337,-1.338,-1.340,\n &-1.341,-1.342,-1.343,-1.344,-1.345,-1.347,-1.348,-1.349,-1.350,\n &-1.351,-1.352,-1.353,-1.355,-1.356,-1.357,-1.358,-1.359,-1.360,\n &-1.361,-1.362,-1.364,-1.365,-1.366,-1.367,-1.368,-1.369,-1.370,\n &-1.371,-1.372,-1.373,-1.374,-1.386,-1.396,-1.405,-1.415,-1.424,\n &-1.433,-1.442,-1.450,-1.458,-1.466,-1.474,-1.482,-1.489,-1.496,\n &-1.503,-1.510,-1.516,-1.523,-1.529,-1.535,-1.541,-1.547,-1.553,\n &-1.558,-1.564,-1.569,-1.574,-1.580,-1.585,-1.589,-1.594,-1.599,\n &-1.604,-1.608,-1.613,-1.617,-1.621,-1.626,-1.630,-1.634,-1.638,\n &-1.642,-1.646,-1.650,-1.654,-1.657,-1.661,-1.665,-1.668,-1.672,\n &-1.675,-1.679,-1.682,-1.685,-1.689,-1.692,-1.695,-1.698,-1.701,\n &-1.705,-1.708,-1.711,-1.714,-1.717,-1.720,-1.723,-1.725,-1.728,\n &-1.731,-1.734,-1.737,-1.739,-1.742,-1.745,-1.748,-1.750,-1.753,\n &-1.755,-1.758,-1.761,-1.763,-1.766,-1.768,-1.771,-1.773,-1.776,\n &-1.778,-1.781,-1.783,-1.785,-1.788,-1.790,-1.792,-1.795,-1.797,\n &-1.799,-1.802,-1.804,-1.806,-1.809,-1.811,-1.813,-1.815,-1.817,\n &-1.820,-1.822,-1.824,-1.826,-1.828,-1.830,-1.833,-1.835,-1.837,\n &-1.839,-1.841,-1.843,-1.845,-1.847,-1.849,-1.851,-1.854,-1.856,\n &-1.858,-1.860,-1.862,-1.864,-1.866,-1.868,-1.870,-1.872,-1.874,\n &-1.876,-1.878,-1.880,-1.881,-1.883,-1.885,-1.887,-1.889,-1.891,\n &-1.893,-1.895,-1.897,-1.899,-1.901,-1.903,-1.905,-1.906,-1.908,\n &-1.910,-1.912,-1.914,-1.916,-1.918,-1.919,-1.921,-1.923,-1.925,\n &-1.927,-1.929,-1.930\n & /\nC\nC *** KCL\nC\n DATA BNC20M/\n &-0.047,-0.100,-0.126,-0.143,-0.156,-0.167,-0.176,-0.183,-0.190,\n &-0.195,-0.200,-0.205,-0.209,-0.212,-0.215,-0.218,-0.221,-0.224,\n &-0.226,-0.228,-0.230,-0.232,-0.233,-0.235,-0.236,-0.238,-0.239,\n &-0.240,-0.241,-0.242,-0.243,-0.244,-0.245,-0.246,-0.246,-0.247,\n &-0.248,-0.248,-0.249,-0.249,-0.250,-0.250,-0.251,-0.251,-0.251,\n &-0.252,-0.252,-0.252,-0.253,-0.253,-0.253,-0.253,-0.254,-0.254,\n &-0.254,-0.254,-0.254,-0.254,-0.254,-0.255,-0.255,-0.255,-0.255,\n &-0.255,-0.255,-0.255,-0.255,-0.255,-0.255,-0.255,-0.255,-0.255,\n &-0.255,-0.255,-0.255,-0.255,-0.255,-0.255,-0.254,-0.254,-0.254,\n &-0.254,-0.254,-0.254,-0.254,-0.253,-0.253,-0.253,-0.253,-0.253,\n &-0.252,-0.252,-0.252,-0.252,-0.251,-0.251,-0.251,-0.250,-0.250,\n &-0.250,-0.249,-0.249,-0.249,-0.248,-0.248,-0.248,-0.247,-0.247,\n &-0.247,-0.246,-0.246,-0.245,-0.245,-0.245,-0.244,-0.244,-0.243,\n &-0.243,-0.243,-0.242,-0.242,-0.241,-0.241,-0.240,-0.240,-0.240,\n &-0.239,-0.239,-0.238,-0.238,-0.237,-0.237,-0.236,-0.236,-0.235,\n &-0.235,-0.234,-0.234,-0.234,-0.233,-0.233,-0.232,-0.232,-0.231,\n &-0.231,-0.230,-0.230,-0.229,-0.229,-0.228,-0.228,-0.227,-0.227,\n &-0.226,-0.226,-0.225,-0.225,-0.224,-0.224,-0.224,-0.223,-0.223,\n &-0.222,-0.222,-0.221,-0.221,-0.220,-0.220,-0.219,-0.219,-0.218,\n &-0.218,-0.217,-0.217,-0.216,-0.216,-0.215,-0.215,-0.214,-0.214,\n &-0.213,-0.213,-0.212,-0.212,-0.211,-0.211,-0.210,-0.210,-0.209,\n &-0.209,-0.208,-0.208,-0.207,-0.207,-0.207,-0.206,-0.206,-0.205,\n &-0.205,-0.204,-0.204,-0.203,-0.203,-0.202,-0.202,-0.201,-0.201,\n &-0.200,-0.200,-0.199,-0.199,-0.198,-0.198,-0.197,-0.197,-0.196,\n &-0.196,-0.195,-0.195,-0.194,-0.194,-0.194,-0.193,-0.193,-0.192,\n &-0.192,-0.191,-0.191,-0.190,-0.190,-0.189,-0.189,-0.188,-0.188,\n &-0.187,-0.187,-0.186,-0.186,-0.186,-0.185,-0.185,-0.184,-0.184,\n &-0.183,-0.183,-0.182,-0.182,-0.181,-0.181,-0.180,-0.180,-0.180,\n &-0.179,-0.179,-0.178,-0.178,-0.177,-0.177,-0.176,-0.176,-0.175,\n &-0.175,-0.174,-0.174,-0.174,-0.173,-0.173,-0.172,-0.172,-0.171,\n &-0.171,-0.170,-0.170,-0.170,-0.169,-0.169,-0.168,-0.168,-0.167,\n &-0.167,-0.166,-0.166,-0.166,-0.165,-0.165,-0.164,-0.164,-0.163,\n &-0.163,-0.162,-0.162,-0.162,-0.161,-0.161,-0.160,-0.160,-0.159,\n &-0.159,-0.159,-0.158,-0.158,-0.157,-0.157,-0.156,-0.156,-0.156,\n &-0.155,-0.155,-0.154,-0.154,-0.153,-0.153,-0.153,-0.152,-0.152,\n &-0.151,-0.151,-0.150,-0.150,-0.150,-0.149,-0.149,-0.148,-0.148,\n &-0.148,-0.147,-0.147,-0.146,-0.146,-0.145,-0.145,-0.145,-0.144,\n &-0.144,-0.143,-0.143,-0.143,-0.142,-0.142,-0.141,-0.141,-0.141,\n &-0.140,-0.140,-0.139,-0.139,-0.139,-0.138,-0.138,-0.137,-0.137,\n &-0.137,-0.136,-0.136,-0.135,-0.135,-0.135,-0.134,-0.134,-0.133,\n &-0.133,-0.133,-0.132,-0.132,-0.131,-0.131,-0.131,-0.130,-0.130,\n &-0.129,-0.129,-0.129,-0.128,-0.128,-0.128,-0.127,-0.127,-0.126,\n &-0.126,-0.126,-0.125,-0.125,-0.124,-0.124,-0.124,-0.123,-0.123,\n &-0.123,-0.122,-0.122,-0.121,-0.121,-0.121,-0.120,-0.120,-0.120,\n &-0.119,-0.119,-0.118,-0.118,-0.114,-0.111,-0.107,-0.103,-0.100,\n &-0.097,-0.093,-0.090,-0.087,-0.084,-0.080,-0.077,-0.074,-0.071,\n &-0.068,-0.065,-0.063,-0.060,-0.057,-0.054,-0.052,-0.049,-0.046,\n &-0.044,-0.041,-0.039,-0.036,-0.034,-0.031,-0.029,-0.027,-0.024,\n &-0.022,-0.020,-0.018,-0.016,-0.013,-0.011,-0.009,-0.007,-0.005,\n &-0.003,-0.001, 0.001, 0.003, 0.004, 0.006, 0.008, 0.010, 0.012,\n & 0.013, 0.015, 0.017, 0.018, 0.020, 0.022, 0.023, 0.025, 0.026,\n & 0.028, 0.030, 0.031, 0.032, 0.034, 0.035, 0.037, 0.038, 0.040,\n & 0.041, 0.042, 0.044, 0.045, 0.046, 0.047, 0.049, 0.050, 0.051,\n & 0.052, 0.053, 0.055, 0.056, 0.057, 0.058, 0.059, 0.060, 0.061,\n & 0.062, 0.063, 0.064, 0.065, 0.066, 0.067, 0.068, 0.069, 0.070,\n & 0.071, 0.072, 0.073, 0.074, 0.075, 0.075, 0.076, 0.077, 0.078,\n & 0.079, 0.079, 0.080, 0.081, 0.082, 0.083, 0.083, 0.084, 0.085,\n & 0.085, 0.086, 0.087, 0.087, 0.088, 0.089, 0.089, 0.090, 0.091,\n & 0.091, 0.092, 0.092, 0.093, 0.094, 0.094, 0.095, 0.095, 0.096,\n & 0.096, 0.097, 0.097, 0.098, 0.098, 0.099, 0.099, 0.100, 0.100,\n & 0.100, 0.101, 0.101, 0.102, 0.102, 0.103, 0.103, 0.103, 0.104,\n & 0.104, 0.104, 0.105, 0.105, 0.105, 0.106, 0.106, 0.106, 0.107,\n & 0.107, 0.107, 0.108\n & /\nC\nC *** MGSO4\nC\n DATA BNC21M/\n &-0.190,-0.411,-0.520,-0.597,-0.656,-0.705,-0.746,-0.782,-0.814,\n &-0.843,-0.868,-0.892,-0.914,-0.934,-0.953,-0.970,-0.986,-1.002,\n &-1.016,-1.030,-1.043,-1.056,-1.068,-1.079,-1.090,-1.100,-1.110,\n &-1.120,-1.129,-1.138,-1.147,-1.155,-1.163,-1.171,-1.178,-1.186,\n &-1.193,-1.200,-1.206,-1.213,-1.219,-1.225,-1.231,-1.237,-1.243,\n &-1.249,-1.254,-1.260,-1.265,-1.270,-1.275,-1.280,-1.285,-1.289,\n &-1.294,-1.299,-1.303,-1.307,-1.312,-1.316,-1.320,-1.324,-1.328,\n &-1.332,-1.336,-1.340,-1.344,-1.347,-1.351,-1.354,-1.358,-1.361,\n &-1.365,-1.368,-1.372,-1.375,-1.378,-1.381,-1.384,-1.387,-1.390,\n &-1.393,-1.396,-1.399,-1.402,-1.405,-1.408,-1.411,-1.413,-1.416,\n &-1.419,-1.421,-1.424,-1.426,-1.429,-1.431,-1.434,-1.436,-1.439,\n &-1.441,-1.443,-1.446,-1.448,-1.450,-1.452,-1.455,-1.457,-1.459,\n &-1.461,-1.463,-1.465,-1.467,-1.469,-1.471,-1.473,-1.475,-1.477,\n &-1.479,-1.481,-1.483,-1.485,-1.487,-1.489,-1.491,-1.493,-1.494,\n &-1.496,-1.498,-1.500,-1.501,-1.503,-1.505,-1.507,-1.508,-1.510,\n &-1.512,-1.513,-1.515,-1.517,-1.518,-1.520,-1.521,-1.523,-1.525,\n &-1.526,-1.528,-1.529,-1.531,-1.532,-1.534,-1.535,-1.537,-1.538,\n &-1.540,-1.541,-1.543,-1.544,-1.546,-1.547,-1.548,-1.550,-1.551,\n &-1.553,-1.554,-1.555,-1.557,-1.558,-1.559,-1.561,-1.562,-1.563,\n &-1.565,-1.566,-1.567,-1.569,-1.570,-1.571,-1.573,-1.574,-1.575,\n &-1.576,-1.578,-1.579,-1.580,-1.581,-1.583,-1.584,-1.585,-1.586,\n &-1.587,-1.589,-1.590,-1.591,-1.592,-1.593,-1.594,-1.596,-1.597,\n &-1.598,-1.599,-1.600,-1.601,-1.603,-1.604,-1.605,-1.606,-1.607,\n &-1.608,-1.609,-1.610,-1.611,-1.613,-1.614,-1.615,-1.616,-1.617,\n &-1.618,-1.619,-1.620,-1.621,-1.622,-1.623,-1.624,-1.625,-1.626,\n &-1.627,-1.628,-1.630,-1.631,-1.632,-1.633,-1.634,-1.635,-1.636,\n &-1.637,-1.638,-1.639,-1.640,-1.641,-1.642,-1.643,-1.644,-1.645,\n &-1.646,-1.647,-1.647,-1.648,-1.649,-1.650,-1.651,-1.652,-1.653,\n &-1.654,-1.655,-1.656,-1.657,-1.658,-1.659,-1.660,-1.661,-1.662,\n &-1.663,-1.664,-1.664,-1.665,-1.666,-1.667,-1.668,-1.669,-1.670,\n &-1.671,-1.672,-1.673,-1.674,-1.674,-1.675,-1.676,-1.677,-1.678,\n &-1.679,-1.680,-1.681,-1.682,-1.682,-1.683,-1.684,-1.685,-1.686,\n &-1.687,-1.688,-1.688,-1.689,-1.690,-1.691,-1.692,-1.693,-1.694,\n &-1.694,-1.695,-1.696,-1.697,-1.698,-1.699,-1.700,-1.700,-1.701,\n &-1.702,-1.703,-1.704,-1.705,-1.705,-1.706,-1.707,-1.708,-1.709,\n &-1.709,-1.710,-1.711,-1.712,-1.713,-1.713,-1.714,-1.715,-1.716,\n &-1.717,-1.718,-1.718,-1.719,-1.720,-1.721,-1.722,-1.722,-1.723,\n &-1.724,-1.725,-1.725,-1.726,-1.727,-1.728,-1.729,-1.729,-1.730,\n &-1.731,-1.732,-1.733,-1.733,-1.734,-1.735,-1.736,-1.736,-1.737,\n &-1.738,-1.739,-1.739,-1.740,-1.741,-1.742,-1.743,-1.743,-1.744,\n &-1.745,-1.746,-1.746,-1.747,-1.748,-1.749,-1.749,-1.750,-1.751,\n &-1.752,-1.752,-1.753,-1.754,-1.755,-1.755,-1.756,-1.757,-1.758,\n &-1.758,-1.759,-1.760,-1.760,-1.761,-1.762,-1.763,-1.763,-1.764,\n &-1.765,-1.766,-1.766,-1.767,-1.768,-1.769,-1.769,-1.770,-1.771,\n &-1.771,-1.772,-1.773,-1.774,-1.781,-1.788,-1.795,-1.802,-1.809,\n &-1.816,-1.823,-1.830,-1.836,-1.843,-1.849,-1.856,-1.862,-1.869,\n &-1.875,-1.882,-1.888,-1.894,-1.901,-1.907,-1.913,-1.919,-1.926,\n &-1.932,-1.938,-1.944,-1.950,-1.956,-1.962,-1.968,-1.974,-1.981,\n &-1.987,-1.993,-1.999,-2.004,-2.010,-2.016,-2.022,-2.028,-2.034,\n &-2.040,-2.046,-2.052,-2.058,-2.064,-2.069,-2.075,-2.081,-2.087,\n &-2.093,-2.099,-2.104,-2.110,-2.116,-2.122,-2.128,-2.133,-2.139,\n &-2.145,-2.151,-2.157,-2.162,-2.168,-2.174,-2.180,-2.185,-2.191,\n &-2.197,-2.202,-2.208,-2.214,-2.220,-2.225,-2.231,-2.237,-2.242,\n &-2.248,-2.254,-2.260,-2.265,-2.271,-2.277,-2.282,-2.288,-2.294,\n &-2.299,-2.305,-2.311,-2.316,-2.322,-2.328,-2.333,-2.339,-2.345,\n &-2.350,-2.356,-2.361,-2.367,-2.373,-2.378,-2.384,-2.390,-2.395,\n &-2.401,-2.407,-2.412,-2.418,-2.423,-2.429,-2.435,-2.440,-2.446,\n &-2.452,-2.457,-2.463,-2.468,-2.474,-2.480,-2.485,-2.491,-2.496,\n &-2.502,-2.508,-2.513,-2.519,-2.524,-2.530,-2.536,-2.541,-2.547,\n &-2.552,-2.558,-2.564,-2.569,-2.575,-2.580,-2.586,-2.592,-2.597,\n &-2.603,-2.608,-2.614,-2.620,-2.625,-2.631,-2.636,-2.642,-2.647,\n &-2.653,-2.659,-2.664,-2.670,-2.675,-2.681,-2.686,-2.692,-2.698,\n &-2.703,-2.709,-2.714\n & /\nC\nC *** MGNO32\nC\n DATA BNC22M/\n &-0.093,-0.193,-0.238,-0.268,-0.289,-0.305,-0.318,-0.328,-0.336,\n &-0.343,-0.348,-0.352,-0.356,-0.359,-0.361,-0.362,-0.364,-0.364,\n &-0.364,-0.364,-0.364,-0.364,-0.363,-0.362,-0.360,-0.359,-0.357,\n &-0.355,-0.354,-0.352,-0.349,-0.347,-0.345,-0.342,-0.340,-0.337,\n &-0.335,-0.332,-0.329,-0.326,-0.324,-0.321,-0.318,-0.315,-0.312,\n &-0.309,-0.306,-0.303,-0.300,-0.297,-0.294,-0.290,-0.287,-0.284,\n &-0.281,-0.278,-0.275,-0.271,-0.268,-0.265,-0.262,-0.258,-0.255,\n &-0.252,-0.249,-0.245,-0.242,-0.239,-0.235,-0.232,-0.229,-0.225,\n &-0.222,-0.218,-0.215,-0.211,-0.208,-0.204,-0.201,-0.197,-0.194,\n &-0.190,-0.186,-0.183,-0.179,-0.175,-0.172,-0.168,-0.164,-0.160,\n &-0.156,-0.152,-0.148,-0.144,-0.140,-0.136,-0.132,-0.128,-0.124,\n &-0.120,-0.116,-0.112,-0.107,-0.103,-0.099,-0.095,-0.090,-0.086,\n &-0.082,-0.078,-0.073,-0.069,-0.065,-0.060,-0.056,-0.051,-0.047,\n &-0.043,-0.038,-0.034,-0.029,-0.025,-0.020,-0.016,-0.011,-0.007,\n &-0.003, 0.002, 0.006, 0.011, 0.015, 0.020, 0.024, 0.029, 0.033,\n & 0.038, 0.042, 0.046, 0.051, 0.055, 0.060, 0.064, 0.069, 0.073,\n & 0.078, 0.082, 0.086, 0.091, 0.095, 0.100, 0.104, 0.109, 0.113,\n & 0.117, 0.122, 0.126, 0.130, 0.135, 0.139, 0.144, 0.148, 0.152,\n & 0.157, 0.161, 0.165, 0.170, 0.174, 0.178, 0.183, 0.187, 0.191,\n & 0.196, 0.200, 0.204, 0.209, 0.213, 0.217, 0.221, 0.226, 0.230,\n & 0.234, 0.239, 0.243, 0.247, 0.251, 0.256, 0.260, 0.264, 0.268,\n & 0.272, 0.277, 0.281, 0.285, 0.289, 0.293, 0.298, 0.302, 0.306,\n & 0.310, 0.314, 0.318, 0.323, 0.327, 0.331, 0.335, 0.339, 0.343,\n & 0.347, 0.351, 0.355, 0.360, 0.364, 0.368, 0.372, 0.376, 0.380,\n & 0.384, 0.388, 0.392, 0.396, 0.400, 0.404, 0.408, 0.412, 0.416,\n & 0.420, 0.424, 0.428, 0.432, 0.436, 0.440, 0.444, 0.448, 0.452,\n & 0.456, 0.460, 0.464, 0.468, 0.472, 0.475, 0.479, 0.483, 0.487,\n & 0.491, 0.495, 0.499, 0.503, 0.507, 0.510, 0.514, 0.518, 0.522,\n & 0.526, 0.530, 0.533, 0.537, 0.541, 0.545, 0.549, 0.552, 0.556,\n & 0.560, 0.564, 0.568, 0.571, 0.575, 0.579, 0.583, 0.586, 0.590,\n & 0.594, 0.598, 0.601, 0.605, 0.609, 0.612, 0.616, 0.620, 0.623,\n & 0.627, 0.631, 0.634, 0.638, 0.642, 0.645, 0.649, 0.653, 0.656,\n & 0.660, 0.664, 0.667, 0.671, 0.674, 0.678, 0.682, 0.685, 0.689,\n & 0.692, 0.696, 0.699, 0.703, 0.707, 0.710, 0.714, 0.717, 0.721,\n & 0.724, 0.728, 0.731, 0.735, 0.738, 0.742, 0.745, 0.749, 0.752,\n & 0.756, 0.759, 0.763, 0.766, 0.769, 0.773, 0.776, 0.780, 0.783,\n & 0.787, 0.790, 0.793, 0.797, 0.800, 0.804, 0.807, 0.810, 0.814,\n & 0.817, 0.821, 0.824, 0.827, 0.831, 0.834, 0.837, 0.841, 0.844,\n & 0.847, 0.851, 0.854, 0.857, 0.861, 0.864, 0.867, 0.870, 0.874,\n & 0.877, 0.880, 0.884, 0.887, 0.890, 0.893, 0.897, 0.900, 0.903,\n & 0.906, 0.910, 0.913, 0.916, 0.919, 0.922, 0.926, 0.929, 0.932,\n & 0.935, 0.938, 0.942, 0.945, 0.948, 0.951, 0.954, 0.957, 0.961,\n & 0.964, 0.967, 0.970, 0.973, 0.976, 0.979, 0.983, 0.986, 0.989,\n & 0.992, 0.995, 0.998, 1.001, 1.004, 1.007, 1.010, 1.013, 1.016,\n & 1.020, 1.023, 1.026, 1.029, 1.061, 1.091, 1.120, 1.149, 1.178,\n & 1.206, 1.233, 1.261, 1.288, 1.314, 1.340, 1.366, 1.391, 1.417,\n & 1.441, 1.466, 1.490, 1.514, 1.537, 1.560, 1.583, 1.606, 1.628,\n & 1.650, 1.672, 1.694, 1.715, 1.736, 1.757, 1.777, 1.797, 1.817,\n & 1.837, 1.857, 1.876, 1.895, 1.914, 1.933, 1.951, 1.970, 1.988,\n & 2.006, 2.023, 2.041, 2.058, 2.075, 2.092, 2.109, 2.126, 2.142,\n & 2.159, 2.175, 2.191, 2.207, 2.222, 2.238, 2.253, 2.268, 2.283,\n & 2.298, 2.313, 2.328, 2.342, 2.357, 2.371, 2.385, 2.399, 2.413,\n & 2.426, 2.440, 2.453, 2.467, 2.480, 2.493, 2.506, 2.519, 2.532,\n & 2.545, 2.557, 2.570, 2.582, 2.594, 2.606, 2.618, 2.630, 2.642,\n & 2.654, 2.666, 2.677, 2.689, 2.700, 2.711, 2.722, 2.733, 2.744,\n & 2.755, 2.766, 2.777, 2.788, 2.798, 2.809, 2.819, 2.829, 2.840,\n & 2.850, 2.860, 2.870, 2.880, 2.890, 2.900, 2.909, 2.919, 2.929,\n & 2.938, 2.948, 2.957, 2.966, 2.976, 2.985, 2.994, 3.003, 3.012,\n & 3.021, 3.030, 3.039, 3.047, 3.056, 3.065, 3.073, 3.082, 3.090,\n & 3.099, 3.107, 3.115, 3.123, 3.132, 3.140, 3.148, 3.156, 3.164,\n & 3.172, 3.179, 3.187, 3.195, 3.203, 3.210, 3.218, 3.225, 3.233,\n & 3.240, 3.248, 3.255, 3.262, 3.270, 3.277, 3.284, 3.291, 3.298,\n & 3.305, 3.312, 3.319\n & /\nC\nC *** MGCL2\nC\n DATA BNC23M/\n &-0.092,-0.190,-0.233,-0.261,-0.280,-0.295,-0.306,-0.314,-0.321,\n &-0.326,-0.330,-0.333,-0.335,-0.336,-0.336,-0.336,-0.336,-0.335,\n &-0.334,-0.332,-0.330,-0.328,-0.326,-0.323,-0.320,-0.317,-0.314,\n &-0.311,-0.308,-0.304,-0.300,-0.297,-0.293,-0.289,-0.285,-0.281,\n &-0.277,-0.272,-0.268,-0.264,-0.259,-0.255,-0.251,-0.246,-0.242,\n &-0.237,-0.233,-0.228,-0.224,-0.219,-0.215,-0.210,-0.205,-0.201,\n &-0.196,-0.192,-0.187,-0.182,-0.178,-0.173,-0.168,-0.164,-0.159,\n &-0.154,-0.150,-0.145,-0.140,-0.135,-0.131,-0.126,-0.121,-0.116,\n &-0.111,-0.106,-0.102,-0.097,-0.092,-0.087,-0.082,-0.077,-0.072,\n &-0.067,-0.062,-0.056,-0.051,-0.046,-0.041,-0.036,-0.030,-0.025,\n &-0.019,-0.014,-0.009,-0.003, 0.002, 0.008, 0.013, 0.019, 0.025,\n & 0.030, 0.036, 0.042, 0.047, 0.053, 0.059, 0.065, 0.071, 0.077,\n & 0.082, 0.088, 0.094, 0.100, 0.106, 0.112, 0.118, 0.124, 0.130,\n & 0.136, 0.142, 0.148, 0.154, 0.160, 0.166, 0.172, 0.178, 0.184,\n & 0.190, 0.196, 0.202, 0.208, 0.214, 0.220, 0.226, 0.232, 0.238,\n & 0.244, 0.250, 0.256, 0.262, 0.268, 0.274, 0.280, 0.286, 0.292,\n & 0.298, 0.304, 0.310, 0.316, 0.322, 0.328, 0.334, 0.340, 0.346,\n & 0.352, 0.358, 0.364, 0.370, 0.376, 0.382, 0.387, 0.393, 0.399,\n & 0.405, 0.411, 0.417, 0.423, 0.429, 0.434, 0.440, 0.446, 0.452,\n & 0.458, 0.463, 0.469, 0.475, 0.481, 0.487, 0.492, 0.498, 0.504,\n & 0.509, 0.515, 0.521, 0.527, 0.532, 0.538, 0.544, 0.549, 0.555,\n & 0.561, 0.566, 0.572, 0.578, 0.583, 0.589, 0.594, 0.600, 0.606,\n & 0.611, 0.617, 0.622, 0.628, 0.633, 0.639, 0.645, 0.650, 0.656,\n & 0.661, 0.667, 0.672, 0.678, 0.683, 0.688, 0.694, 0.699, 0.705,\n & 0.710, 0.716, 0.721, 0.726, 0.732, 0.737, 0.743, 0.748, 0.753,\n & 0.759, 0.764, 0.769, 0.775, 0.780, 0.785, 0.791, 0.796, 0.801,\n & 0.807, 0.812, 0.817, 0.822, 0.828, 0.833, 0.838, 0.843, 0.848,\n & 0.854, 0.859, 0.864, 0.869, 0.874, 0.879, 0.885, 0.890, 0.895,\n & 0.900, 0.905, 0.910, 0.915, 0.920, 0.925, 0.931, 0.936, 0.941,\n & 0.946, 0.951, 0.956, 0.961, 0.966, 0.971, 0.976, 0.981, 0.986,\n & 0.991, 0.996, 1.001, 1.006, 1.011, 1.015, 1.020, 1.025, 1.030,\n & 1.035, 1.040, 1.045, 1.050, 1.055, 1.059, 1.064, 1.069, 1.074,\n & 1.079, 1.084, 1.088, 1.093, 1.098, 1.103, 1.108, 1.112, 1.117,\n & 1.122, 1.127, 1.131, 1.136, 1.141, 1.146, 1.150, 1.155, 1.160,\n & 1.164, 1.169, 1.174, 1.178, 1.183, 1.188, 1.192, 1.197, 1.201,\n & 1.206, 1.211, 1.215, 1.220, 1.224, 1.229, 1.234, 1.238, 1.243,\n & 1.247, 1.252, 1.256, 1.261, 1.265, 1.270, 1.274, 1.279, 1.283,\n & 1.288, 1.292, 1.297, 1.301, 1.306, 1.310, 1.315, 1.319, 1.323,\n & 1.328, 1.332, 1.337, 1.341, 1.345, 1.350, 1.354, 1.359, 1.363,\n & 1.367, 1.372, 1.376, 1.380, 1.385, 1.389, 1.393, 1.398, 1.402,\n & 1.406, 1.410, 1.415, 1.419, 1.423, 1.428, 1.432, 1.436, 1.440,\n & 1.444, 1.449, 1.453, 1.457, 1.461, 1.466, 1.470, 1.474, 1.478,\n & 1.482, 1.486, 1.491, 1.495, 1.499, 1.503, 1.507, 1.511, 1.515,\n & 1.519, 1.524, 1.528, 1.532, 1.536, 1.540, 1.544, 1.548, 1.552,\n & 1.556, 1.560, 1.564, 1.568, 1.611, 1.651, 1.690, 1.728, 1.765,\n & 1.802, 1.839, 1.875, 1.911, 1.945, 1.980, 2.014, 2.048, 2.081,\n & 2.113, 2.146, 2.177, 2.209, 2.240, 2.270, 2.300, 2.330, 2.360,\n & 2.389, 2.417, 2.446, 2.474, 2.502, 2.529, 2.556, 2.583, 2.609,\n & 2.635, 2.661, 2.686, 2.712, 2.737, 2.761, 2.786, 2.810, 2.834,\n & 2.857, 2.881, 2.904, 2.927, 2.950, 2.972, 2.994, 3.016, 3.038,\n & 3.060, 3.081, 3.102, 3.123, 3.144, 3.164, 3.184, 3.205, 3.225,\n & 3.244, 3.264, 3.283, 3.302, 3.322, 3.340, 3.359, 3.378, 3.396,\n & 3.414, 3.432, 3.450, 3.468, 3.485, 3.503, 3.520, 3.537, 3.554,\n & 3.571, 3.588, 3.604, 3.621, 3.637, 3.653, 3.669, 3.685, 3.701,\n & 3.717, 3.732, 3.748, 3.763, 3.778, 3.793, 3.808, 3.823, 3.838,\n & 3.852, 3.867, 3.881, 3.896, 3.910, 3.924, 3.938, 3.952, 3.966,\n & 3.979, 3.993, 4.006, 4.020, 4.033, 4.046, 4.059, 4.072, 4.085,\n & 4.098, 4.111, 4.123, 4.136, 4.148, 4.161, 4.173, 4.185, 4.197,\n & 4.210, 4.222, 4.233, 4.245, 4.257, 4.269, 4.280, 4.292, 4.303,\n & 4.315, 4.326, 4.337, 4.348, 4.359, 4.370, 4.381, 4.392, 4.403,\n & 4.414, 4.424, 4.435, 4.446, 4.456, 4.466, 4.477, 4.487, 4.497,\n & 4.507, 4.518, 4.528, 4.538, 4.548, 4.557, 4.567, 4.577, 4.587,\n & 4.596, 4.606, 4.615\n & /\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE KM298\nC *** CALCULATES BINARY ACTIVITY COEFFICIENTS BY KUSIK-MEISSNER METHOD.\nC THE COMPUTATIONS HAVE BEEN PERFORMED AND THE RESULTS ARE STORED IN\nC LOOKUP TABLES. THE IONIC ACTIVITY 'IN' IS INPUT, AND THE ARRAY\nC 'BINARR' IS RETURNED WITH THE BINARY COEFFICIENTS.\nC\nC TEMPERATURE IS 298K\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE KM298 (IONIC, BINARR)\nC\nC *** Common block definition\nC\n COMMON /KMC298/\n &BNC01M( 561),BNC02M( 561),BNC03M( 561),BNC04M( 561),\n &BNC05M( 561),BNC06M( 561),BNC07M( 561),BNC08M( 561),\n &BNC09M( 561),BNC10M( 561),BNC11M( 561),BNC12M( 561),\n &BNC13M( 561),BNC14M( 561),BNC15M( 561),BNC16M( 561),\n &BNC17M( 561),BNC18M( 561),BNC19M( 561),BNC20M( 561),\n &BNC21M( 561),BNC22M( 561),BNC23M( 561)\n REAL Binarr (23), Ionic\nC\nC *** Find position in arrays for bincoef\nC\n IF (Ionic.LE. 0.200000E+02) THEN\n ipos = MIN(NINT( 0.200000E+02*Ionic) + 1, 400)\n ELSE\n ipos = 400+NINT( 0.200000E+01*Ionic- 0.400000E+02)\n ENDIF\n ipos = min(ipos, 561)\nC\nC *** Assign values to return array\nC\n Binarr(01) = BNC01M(ipos)\n Binarr(02) = BNC02M(ipos)\n Binarr(03) = BNC03M(ipos)\n Binarr(04) = BNC04M(ipos)\n Binarr(05) = BNC05M(ipos)\n Binarr(06) = BNC06M(ipos)\n Binarr(07) = BNC07M(ipos)\n Binarr(08) = BNC08M(ipos)\n Binarr(09) = BNC09M(ipos)\n Binarr(10) = BNC10M(ipos)\n Binarr(11) = BNC11M(ipos)\n Binarr(12) = BNC12M(ipos)\n Binarr(13) = BNC13M(ipos)\n Binarr(14) = BNC14M(ipos)\n Binarr(15) = BNC15M(ipos)\n Binarr(16) = BNC16M(ipos)\n Binarr(17) = BNC17M(ipos)\n Binarr(18) = BNC18M(ipos)\n Binarr(19) = BNC19M(ipos)\n Binarr(20) = BNC20M(ipos)\n Binarr(21) = BNC21M(ipos)\n Binarr(22) = BNC22M(ipos)\n Binarr(23) = BNC23M(ipos)\nC\nC *** Return point ; End of subroutine\nC\n RETURN\n END\n\n\n BLOCK DATA KMCF298\nC\nC *** Common block definition\nC\n COMMON /KMC298/\n &BNC01M( 561),BNC02M( 561),BNC03M( 561),BNC04M( 561),\n &BNC05M( 561),BNC06M( 561),BNC07M( 561),BNC08M( 561),\n &BNC09M( 561),BNC10M( 561),BNC11M( 561),BNC12M( 561),\n &BNC13M( 561),BNC14M( 561),BNC15M( 561),BNC16M( 561),\n &BNC17M( 561),BNC18M( 561),BNC19M( 561),BNC20M( 561),\n &BNC21M( 561),BNC22M( 561),BNC23M( 561)\n\nC\nC *** NaCl\nC\n DATA BNC01M/\n &-0.045,-0.095,-0.117,-0.132,-0.142,-0.150,-0.157,-0.162,-0.166,\n &-0.170,-0.173,-0.175,-0.177,-0.179,-0.180,-0.181,-0.182,-0.182,\n &-0.183,-0.183,-0.183,-0.183,-0.182,-0.182,-0.182,-0.181,-0.181,\n &-0.180,-0.179,-0.178,-0.178,-0.177,-0.176,-0.175,-0.174,-0.173,\n &-0.172,-0.170,-0.169,-0.168,-0.167,-0.166,-0.164,-0.163,-0.162,\n &-0.161,-0.159,-0.158,-0.157,-0.155,-0.154,-0.153,-0.151,-0.150,\n &-0.148,-0.147,-0.146,-0.144,-0.143,-0.141,-0.140,-0.138,-0.137,\n &-0.136,-0.134,-0.133,-0.131,-0.130,-0.128,-0.127,-0.125,-0.124,\n &-0.122,-0.121,-0.119,-0.117,-0.116,-0.114,-0.113,-0.111,-0.110,\n &-0.108,-0.106,-0.105,-0.103,-0.101,-0.100,-0.098,-0.096,-0.094,\n &-0.093,-0.091,-0.089,-0.087,-0.086,-0.084,-0.082,-0.080,-0.078,\n &-0.076,-0.075,-0.073,-0.071,-0.069,-0.067,-0.065,-0.063,-0.061,\n &-0.059,-0.057,-0.055,-0.053,-0.051,-0.049,-0.047,-0.046,-0.044,\n &-0.042,-0.040,-0.038,-0.036,-0.034,-0.032,-0.030,-0.028,-0.026,\n &-0.024,-0.022,-0.019,-0.017,-0.015,-0.013,-0.011,-0.009,-0.007,\n &-0.005,-0.003,-0.001, 0.001, 0.003, 0.005, 0.007, 0.009, 0.011,\n & 0.013, 0.015, 0.017, 0.019, 0.021, 0.023, 0.025, 0.027, 0.029,\n & 0.031, 0.033, 0.035, 0.037, 0.039, 0.041, 0.043, 0.045, 0.047,\n & 0.049, 0.050, 0.052, 0.054, 0.056, 0.058, 0.060, 0.062, 0.064,\n & 0.066, 0.068, 0.070, 0.072, 0.074, 0.076, 0.078, 0.080, 0.082,\n & 0.084, 0.086, 0.088, 0.090, 0.091, 0.093, 0.095, 0.097, 0.099,\n & 0.101, 0.103, 0.105, 0.107, 0.109, 0.111, 0.113, 0.114, 0.116,\n & 0.118, 0.120, 0.122, 0.124, 0.126, 0.128, 0.130, 0.131, 0.133,\n & 0.135, 0.137, 0.139, 0.141, 0.143, 0.145, 0.146, 0.148, 0.150,\n & 0.152, 0.154, 0.156, 0.158, 0.159, 0.161, 0.163, 0.165, 0.167,\n & 0.169, 0.170, 0.172, 0.174, 0.176, 0.178, 0.180, 0.181, 0.183,\n & 0.185, 0.187, 0.189, 0.190, 0.192, 0.194, 0.196, 0.198, 0.199,\n & 0.201, 0.203, 0.205, 0.206, 0.208, 0.210, 0.212, 0.214, 0.215,\n & 0.217, 0.219, 0.221, 0.222, 0.224, 0.226, 0.228, 0.229, 0.231,\n & 0.233, 0.235, 0.236, 0.238, 0.240, 0.242, 0.243, 0.245, 0.247,\n & 0.248, 0.250, 0.252, 0.254, 0.255, 0.257, 0.259, 0.260, 0.262,\n & 0.264, 0.265, 0.267, 0.269, 0.271, 0.272, 0.274, 0.276, 0.277,\n & 0.279, 0.281, 0.282, 0.284, 0.286, 0.287, 0.289, 0.291, 0.292,\n & 0.294, 0.296, 0.297, 0.299, 0.301, 0.302, 0.304, 0.305, 0.307,\n & 0.309, 0.310, 0.312, 0.314, 0.315, 0.317, 0.318, 0.320, 0.322,\n & 0.323, 0.325, 0.327, 0.328, 0.330, 0.331, 0.333, 0.335, 0.336,\n & 0.338, 0.339, 0.341, 0.343, 0.344, 0.346, 0.347, 0.349, 0.350,\n & 0.352, 0.354, 0.355, 0.357, 0.358, 0.360, 0.361, 0.363, 0.364,\n & 0.366, 0.368, 0.369, 0.371, 0.372, 0.374, 0.375, 0.377, 0.378,\n & 0.380, 0.381, 0.383, 0.384, 0.386, 0.388, 0.389, 0.391, 0.392,\n & 0.394, 0.395, 0.397, 0.398, 0.400, 0.401, 0.403, 0.404, 0.406,\n & 0.407, 0.409, 0.410, 0.412, 0.413, 0.415, 0.416, 0.418, 0.419,\n & 0.421, 0.422, 0.423, 0.425, 0.426, 0.428, 0.429, 0.431, 0.432,\n & 0.434, 0.435, 0.437, 0.438, 0.440, 0.441, 0.442, 0.444, 0.445,\n & 0.447, 0.448, 0.450, 0.451, 0.466, 0.480, 0.494, 0.508, 0.522,\n & 0.535, 0.548, 0.561, 0.574, 0.586, 0.599, 0.611, 0.624, 0.636,\n & 0.648, 0.659, 0.671, 0.683, 0.694, 0.705, 0.716, 0.727, 0.738,\n & 0.749, 0.760, 0.770, 0.781, 0.791, 0.801, 0.811, 0.821, 0.831,\n & 0.841, 0.851, 0.861, 0.870, 0.879, 0.889, 0.898, 0.907, 0.916,\n & 0.925, 0.934, 0.943, 0.952, 0.961, 0.969, 0.978, 0.986, 0.995,\n & 1.003, 1.011, 1.019, 1.028, 1.036, 1.044, 1.051, 1.059, 1.067,\n & 1.075, 1.082, 1.090, 1.098, 1.105, 1.113, 1.120, 1.127, 1.135,\n & 1.142, 1.149, 1.156, 1.163, 1.170, 1.177, 1.184, 1.191, 1.198,\n & 1.204, 1.211, 1.218, 1.224, 1.231, 1.237, 1.244, 1.250, 1.257,\n & 1.263, 1.269, 1.276, 1.282, 1.288, 1.294, 1.300, 1.307, 1.313,\n & 1.319, 1.325, 1.330, 1.336, 1.342, 1.348, 1.354, 1.360, 1.365,\n & 1.371, 1.377, 1.382, 1.388, 1.393, 1.399, 1.404, 1.410, 1.415,\n & 1.421, 1.426, 1.431, 1.437, 1.442, 1.447, 1.453, 1.458, 1.463,\n & 1.468, 1.473, 1.478, 1.483, 1.488, 1.493, 1.498, 1.503, 1.508,\n & 1.513, 1.518, 1.523, 1.528, 1.532, 1.537, 1.542, 1.547, 1.551,\n & 1.556, 1.561, 1.565, 1.570, 1.575, 1.579, 1.584, 1.588, 1.593,\n & 1.597, 1.602, 1.606, 1.611, 1.615, 1.620, 1.624, 1.628, 1.633,\n & 1.637, 1.641, 1.645\n & /\nC\nC *** Na2SO4\nC\n DATA BNC02M/\n &-0.093,-0.202,-0.256,-0.295,-0.325,-0.349,-0.371,-0.389,-0.405,\n &-0.420,-0.434,-0.446,-0.457,-0.468,-0.478,-0.487,-0.496,-0.504,\n &-0.512,-0.520,-0.527,-0.533,-0.540,-0.546,-0.552,-0.558,-0.563,\n &-0.569,-0.574,-0.579,-0.584,-0.588,-0.593,-0.597,-0.602,-0.606,\n &-0.610,-0.614,-0.618,-0.621,-0.625,-0.628,-0.632,-0.635,-0.639,\n &-0.642,-0.645,-0.648,-0.651,-0.654,-0.657,-0.660,-0.663,-0.665,\n &-0.668,-0.671,-0.673,-0.676,-0.678,-0.681,-0.683,-0.686,-0.688,\n &-0.690,-0.692,-0.695,-0.697,-0.699,-0.701,-0.703,-0.705,-0.707,\n &-0.709,-0.711,-0.713,-0.715,-0.717,-0.719,-0.721,-0.723,-0.724,\n &-0.726,-0.728,-0.730,-0.731,-0.733,-0.735,-0.737,-0.738,-0.740,\n &-0.741,-0.743,-0.745,-0.746,-0.748,-0.749,-0.751,-0.752,-0.754,\n &-0.755,-0.757,-0.758,-0.760,-0.761,-0.763,-0.764,-0.766,-0.767,\n &-0.768,-0.770,-0.771,-0.772,-0.774,-0.775,-0.776,-0.778,-0.779,\n &-0.780,-0.782,-0.783,-0.784,-0.785,-0.787,-0.788,-0.789,-0.790,\n &-0.791,-0.793,-0.794,-0.795,-0.796,-0.797,-0.798,-0.800,-0.801,\n &-0.802,-0.803,-0.804,-0.805,-0.806,-0.807,-0.808,-0.810,-0.811,\n &-0.812,-0.813,-0.814,-0.815,-0.816,-0.817,-0.818,-0.819,-0.820,\n &-0.821,-0.822,-0.823,-0.824,-0.825,-0.826,-0.827,-0.828,-0.829,\n &-0.830,-0.831,-0.832,-0.832,-0.833,-0.834,-0.835,-0.836,-0.837,\n &-0.838,-0.839,-0.840,-0.841,-0.841,-0.842,-0.843,-0.844,-0.845,\n &-0.846,-0.847,-0.847,-0.848,-0.849,-0.850,-0.851,-0.852,-0.852,\n &-0.853,-0.854,-0.855,-0.856,-0.856,-0.857,-0.858,-0.859,-0.860,\n &-0.860,-0.861,-0.862,-0.863,-0.864,-0.864,-0.865,-0.866,-0.867,\n &-0.867,-0.868,-0.869,-0.869,-0.870,-0.871,-0.872,-0.872,-0.873,\n &-0.874,-0.875,-0.875,-0.876,-0.877,-0.877,-0.878,-0.879,-0.879,\n &-0.880,-0.881,-0.882,-0.882,-0.883,-0.884,-0.884,-0.885,-0.886,\n &-0.886,-0.887,-0.888,-0.888,-0.889,-0.889,-0.890,-0.891,-0.891,\n &-0.892,-0.893,-0.893,-0.894,-0.895,-0.895,-0.896,-0.896,-0.897,\n &-0.898,-0.898,-0.899,-0.899,-0.900,-0.901,-0.901,-0.902,-0.903,\n &-0.903,-0.904,-0.904,-0.905,-0.905,-0.906,-0.907,-0.907,-0.908,\n &-0.908,-0.909,-0.910,-0.910,-0.911,-0.911,-0.912,-0.912,-0.913,\n &-0.913,-0.914,-0.915,-0.915,-0.916,-0.916,-0.917,-0.917,-0.918,\n &-0.918,-0.919,-0.919,-0.920,-0.921,-0.921,-0.922,-0.922,-0.923,\n &-0.923,-0.924,-0.924,-0.925,-0.925,-0.926,-0.926,-0.927,-0.927,\n &-0.928,-0.928,-0.929,-0.929,-0.930,-0.930,-0.931,-0.931,-0.932,\n &-0.932,-0.933,-0.933,-0.934,-0.934,-0.935,-0.935,-0.936,-0.936,\n &-0.937,-0.937,-0.938,-0.938,-0.939,-0.939,-0.940,-0.940,-0.940,\n &-0.941,-0.941,-0.942,-0.942,-0.943,-0.943,-0.944,-0.944,-0.945,\n &-0.945,-0.946,-0.946,-0.946,-0.947,-0.947,-0.948,-0.948,-0.949,\n &-0.949,-0.950,-0.950,-0.950,-0.951,-0.951,-0.952,-0.952,-0.953,\n &-0.953,-0.954,-0.954,-0.954,-0.955,-0.955,-0.956,-0.956,-0.957,\n &-0.957,-0.957,-0.958,-0.958,-0.959,-0.959,-0.959,-0.960,-0.960,\n &-0.961,-0.961,-0.962,-0.962,-0.962,-0.963,-0.963,-0.964,-0.964,\n &-0.964,-0.965,-0.965,-0.966,-0.966,-0.966,-0.967,-0.967,-0.968,\n &-0.968,-0.968,-0.969,-0.969,-0.973,-0.977,-0.981,-0.984,-0.988,\n &-0.991,-0.995,-0.998,-1.001,-1.004,-1.007,-1.010,-1.013,-1.016,\n &-1.019,-1.022,-1.024,-1.027,-1.030,-1.032,-1.035,-1.037,-1.040,\n &-1.042,-1.045,-1.047,-1.049,-1.052,-1.054,-1.056,-1.058,-1.061,\n &-1.063,-1.065,-1.067,-1.069,-1.071,-1.073,-1.075,-1.077,-1.079,\n &-1.080,-1.082,-1.084,-1.086,-1.088,-1.089,-1.091,-1.093,-1.095,\n &-1.096,-1.098,-1.100,-1.101,-1.103,-1.104,-1.106,-1.108,-1.109,\n &-1.111,-1.112,-1.114,-1.115,-1.117,-1.118,-1.119,-1.121,-1.122,\n &-1.124,-1.125,-1.126,-1.128,-1.129,-1.130,-1.132,-1.133,-1.134,\n &-1.135,-1.137,-1.138,-1.139,-1.140,-1.142,-1.143,-1.144,-1.145,\n &-1.146,-1.148,-1.149,-1.150,-1.151,-1.152,-1.153,-1.154,-1.155,\n &-1.157,-1.158,-1.159,-1.160,-1.161,-1.162,-1.163,-1.164,-1.165,\n &-1.166,-1.167,-1.168,-1.169,-1.170,-1.171,-1.172,-1.173,-1.174,\n &-1.175,-1.176,-1.177,-1.178,-1.179,-1.180,-1.180,-1.181,-1.182,\n &-1.183,-1.184,-1.185,-1.186,-1.187,-1.188,-1.188,-1.189,-1.190,\n &-1.191,-1.192,-1.193,-1.193,-1.194,-1.195,-1.196,-1.197,-1.198,\n &-1.198,-1.199,-1.200,-1.201,-1.201,-1.202,-1.203,-1.204,-1.205,\n &-1.205,-1.206,-1.207,-1.208,-1.208,-1.209,-1.210,-1.210,-1.211,\n &-1.212,-1.213,-1.213\n & /\nC\nC *** NaNO3\nC\n DATA BNC03M/\n &-0.047,-0.102,-0.129,-0.149,-0.164,-0.177,-0.188,-0.198,-0.206,\n &-0.214,-0.221,-0.228,-0.234,-0.239,-0.245,-0.250,-0.255,-0.259,\n &-0.263,-0.267,-0.271,-0.275,-0.279,-0.282,-0.285,-0.289,-0.292,\n &-0.295,-0.298,-0.300,-0.303,-0.306,-0.308,-0.311,-0.313,-0.316,\n &-0.318,-0.320,-0.322,-0.324,-0.326,-0.329,-0.331,-0.332,-0.334,\n &-0.336,-0.338,-0.340,-0.342,-0.343,-0.345,-0.347,-0.348,-0.350,\n &-0.352,-0.353,-0.355,-0.356,-0.358,-0.359,-0.360,-0.362,-0.363,\n &-0.365,-0.366,-0.367,-0.369,-0.370,-0.371,-0.372,-0.374,-0.375,\n &-0.376,-0.377,-0.378,-0.380,-0.381,-0.382,-0.383,-0.384,-0.385,\n &-0.386,-0.388,-0.389,-0.390,-0.391,-0.392,-0.393,-0.394,-0.395,\n &-0.396,-0.397,-0.398,-0.399,-0.400,-0.401,-0.402,-0.403,-0.404,\n &-0.405,-0.406,-0.407,-0.408,-0.408,-0.409,-0.410,-0.411,-0.412,\n &-0.413,-0.414,-0.415,-0.416,-0.416,-0.417,-0.418,-0.419,-0.420,\n &-0.421,-0.422,-0.422,-0.423,-0.424,-0.425,-0.426,-0.427,-0.427,\n &-0.428,-0.429,-0.430,-0.430,-0.431,-0.432,-0.433,-0.434,-0.434,\n &-0.435,-0.436,-0.437,-0.437,-0.438,-0.439,-0.439,-0.440,-0.441,\n &-0.442,-0.442,-0.443,-0.444,-0.444,-0.445,-0.446,-0.447,-0.447,\n &-0.448,-0.449,-0.449,-0.450,-0.451,-0.451,-0.452,-0.453,-0.453,\n &-0.454,-0.454,-0.455,-0.456,-0.456,-0.457,-0.458,-0.458,-0.459,\n &-0.460,-0.460,-0.461,-0.461,-0.462,-0.463,-0.463,-0.464,-0.464,\n &-0.465,-0.466,-0.466,-0.467,-0.467,-0.468,-0.468,-0.469,-0.470,\n &-0.470,-0.471,-0.471,-0.472,-0.472,-0.473,-0.474,-0.474,-0.475,\n &-0.475,-0.476,-0.476,-0.477,-0.477,-0.478,-0.478,-0.479,-0.479,\n &-0.480,-0.480,-0.481,-0.482,-0.482,-0.483,-0.483,-0.484,-0.484,\n &-0.485,-0.485,-0.486,-0.486,-0.487,-0.487,-0.488,-0.488,-0.489,\n &-0.489,-0.490,-0.490,-0.491,-0.491,-0.491,-0.492,-0.492,-0.493,\n &-0.493,-0.494,-0.494,-0.495,-0.495,-0.496,-0.496,-0.497,-0.497,\n &-0.498,-0.498,-0.498,-0.499,-0.499,-0.500,-0.500,-0.501,-0.501,\n &-0.502,-0.502,-0.502,-0.503,-0.503,-0.504,-0.504,-0.505,-0.505,\n &-0.505,-0.506,-0.506,-0.507,-0.507,-0.508,-0.508,-0.508,-0.509,\n &-0.509,-0.510,-0.510,-0.511,-0.511,-0.511,-0.512,-0.512,-0.513,\n &-0.513,-0.513,-0.514,-0.514,-0.515,-0.515,-0.515,-0.516,-0.516,\n &-0.517,-0.517,-0.517,-0.518,-0.518,-0.518,-0.519,-0.519,-0.520,\n &-0.520,-0.520,-0.521,-0.521,-0.522,-0.522,-0.522,-0.523,-0.523,\n &-0.523,-0.524,-0.524,-0.525,-0.525,-0.525,-0.526,-0.526,-0.526,\n &-0.527,-0.527,-0.527,-0.528,-0.528,-0.529,-0.529,-0.529,-0.530,\n &-0.530,-0.530,-0.531,-0.531,-0.531,-0.532,-0.532,-0.532,-0.533,\n &-0.533,-0.533,-0.534,-0.534,-0.534,-0.535,-0.535,-0.535,-0.536,\n &-0.536,-0.536,-0.537,-0.537,-0.537,-0.538,-0.538,-0.538,-0.539,\n &-0.539,-0.539,-0.540,-0.540,-0.540,-0.541,-0.541,-0.541,-0.542,\n &-0.542,-0.542,-0.543,-0.543,-0.543,-0.544,-0.544,-0.544,-0.545,\n &-0.545,-0.545,-0.546,-0.546,-0.546,-0.546,-0.547,-0.547,-0.547,\n &-0.548,-0.548,-0.548,-0.549,-0.549,-0.549,-0.549,-0.550,-0.550,\n &-0.550,-0.551,-0.551,-0.551,-0.552,-0.552,-0.552,-0.552,-0.553,\n &-0.553,-0.553,-0.554,-0.554,-0.557,-0.560,-0.563,-0.565,-0.568,\n &-0.570,-0.573,-0.575,-0.578,-0.580,-0.583,-0.585,-0.587,-0.589,\n &-0.592,-0.594,-0.596,-0.598,-0.600,-0.602,-0.604,-0.606,-0.608,\n &-0.609,-0.611,-0.613,-0.615,-0.617,-0.618,-0.620,-0.622,-0.623,\n &-0.625,-0.627,-0.628,-0.630,-0.631,-0.633,-0.634,-0.636,-0.637,\n &-0.639,-0.640,-0.642,-0.643,-0.644,-0.646,-0.647,-0.648,-0.650,\n &-0.651,-0.652,-0.653,-0.655,-0.656,-0.657,-0.658,-0.660,-0.661,\n &-0.662,-0.663,-0.664,-0.665,-0.667,-0.668,-0.669,-0.670,-0.671,\n &-0.672,-0.673,-0.674,-0.675,-0.676,-0.677,-0.678,-0.679,-0.680,\n &-0.681,-0.682,-0.683,-0.684,-0.685,-0.686,-0.687,-0.688,-0.689,\n &-0.690,-0.691,-0.692,-0.692,-0.693,-0.694,-0.695,-0.696,-0.697,\n &-0.698,-0.698,-0.699,-0.700,-0.701,-0.702,-0.703,-0.703,-0.704,\n &-0.705,-0.706,-0.706,-0.707,-0.708,-0.709,-0.709,-0.710,-0.711,\n &-0.712,-0.712,-0.713,-0.714,-0.715,-0.715,-0.716,-0.717,-0.717,\n &-0.718,-0.719,-0.719,-0.720,-0.721,-0.721,-0.722,-0.723,-0.723,\n &-0.724,-0.725,-0.725,-0.726,-0.727,-0.727,-0.728,-0.729,-0.729,\n &-0.730,-0.730,-0.731,-0.732,-0.732,-0.733,-0.733,-0.734,-0.735,\n &-0.735,-0.736,-0.736,-0.737,-0.737,-0.738,-0.739,-0.739,-0.740,\n &-0.740,-0.741,-0.741\n & /\nC\nC *** (NH4)2SO4\nC\n DATA BNC04M/\n &-0.093,-0.203,-0.257,-0.296,-0.326,-0.351,-0.372,-0.391,-0.408,\n &-0.423,-0.436,-0.449,-0.460,-0.471,-0.481,-0.491,-0.500,-0.508,\n &-0.516,-0.524,-0.531,-0.538,-0.545,-0.552,-0.558,-0.564,-0.569,\n &-0.575,-0.580,-0.585,-0.590,-0.595,-0.600,-0.605,-0.609,-0.613,\n &-0.618,-0.622,-0.626,-0.629,-0.633,-0.637,-0.641,-0.644,-0.648,\n &-0.651,-0.654,-0.658,-0.661,-0.664,-0.667,-0.670,-0.673,-0.676,\n &-0.678,-0.681,-0.684,-0.687,-0.689,-0.692,-0.694,-0.697,-0.699,\n &-0.702,-0.704,-0.707,-0.709,-0.711,-0.713,-0.716,-0.718,-0.720,\n &-0.722,-0.724,-0.726,-0.728,-0.730,-0.732,-0.734,-0.736,-0.738,\n &-0.740,-0.742,-0.744,-0.746,-0.748,-0.749,-0.751,-0.753,-0.755,\n &-0.756,-0.758,-0.760,-0.762,-0.763,-0.765,-0.767,-0.768,-0.770,\n &-0.772,-0.773,-0.775,-0.776,-0.778,-0.779,-0.781,-0.782,-0.784,\n &-0.786,-0.787,-0.788,-0.790,-0.791,-0.793,-0.794,-0.796,-0.797,\n &-0.799,-0.800,-0.801,-0.803,-0.804,-0.805,-0.807,-0.808,-0.809,\n &-0.811,-0.812,-0.813,-0.815,-0.816,-0.817,-0.819,-0.820,-0.821,\n &-0.822,-0.824,-0.825,-0.826,-0.827,-0.828,-0.830,-0.831,-0.832,\n &-0.833,-0.834,-0.835,-0.837,-0.838,-0.839,-0.840,-0.841,-0.842,\n &-0.843,-0.844,-0.846,-0.847,-0.848,-0.849,-0.850,-0.851,-0.852,\n &-0.853,-0.854,-0.855,-0.856,-0.857,-0.858,-0.859,-0.860,-0.861,\n &-0.862,-0.863,-0.864,-0.865,-0.866,-0.867,-0.868,-0.869,-0.870,\n &-0.871,-0.872,-0.873,-0.874,-0.875,-0.876,-0.877,-0.878,-0.878,\n &-0.879,-0.880,-0.881,-0.882,-0.883,-0.884,-0.885,-0.886,-0.886,\n &-0.887,-0.888,-0.889,-0.890,-0.891,-0.892,-0.893,-0.893,-0.894,\n &-0.895,-0.896,-0.897,-0.898,-0.898,-0.899,-0.900,-0.901,-0.902,\n &-0.902,-0.903,-0.904,-0.905,-0.906,-0.906,-0.907,-0.908,-0.909,\n &-0.910,-0.910,-0.911,-0.912,-0.913,-0.913,-0.914,-0.915,-0.916,\n &-0.916,-0.917,-0.918,-0.919,-0.919,-0.920,-0.921,-0.922,-0.922,\n &-0.923,-0.924,-0.924,-0.925,-0.926,-0.927,-0.927,-0.928,-0.929,\n &-0.929,-0.930,-0.931,-0.931,-0.932,-0.933,-0.933,-0.934,-0.935,\n &-0.936,-0.936,-0.937,-0.938,-0.938,-0.939,-0.940,-0.940,-0.941,\n &-0.941,-0.942,-0.943,-0.943,-0.944,-0.945,-0.945,-0.946,-0.947,\n &-0.947,-0.948,-0.949,-0.949,-0.950,-0.950,-0.951,-0.952,-0.952,\n &-0.953,-0.954,-0.954,-0.955,-0.955,-0.956,-0.957,-0.957,-0.958,\n &-0.958,-0.959,-0.960,-0.960,-0.961,-0.961,-0.962,-0.962,-0.963,\n &-0.964,-0.964,-0.965,-0.965,-0.966,-0.967,-0.967,-0.968,-0.968,\n &-0.969,-0.969,-0.970,-0.970,-0.971,-0.972,-0.972,-0.973,-0.973,\n &-0.974,-0.974,-0.975,-0.975,-0.976,-0.977,-0.977,-0.978,-0.978,\n &-0.979,-0.979,-0.980,-0.980,-0.981,-0.981,-0.982,-0.982,-0.983,\n &-0.983,-0.984,-0.984,-0.985,-0.986,-0.986,-0.987,-0.987,-0.988,\n &-0.988,-0.989,-0.989,-0.990,-0.990,-0.991,-0.991,-0.992,-0.992,\n &-0.993,-0.993,-0.994,-0.994,-0.995,-0.995,-0.996,-0.996,-0.997,\n &-0.997,-0.998,-0.998,-0.998,-0.999,-0.999,-1.000,-1.000,-1.001,\n &-1.001,-1.002,-1.002,-1.003,-1.003,-1.004,-1.004,-1.005,-1.005,\n &-1.006,-1.006,-1.006,-1.007,-1.007,-1.008,-1.008,-1.009,-1.009,\n &-1.010,-1.010,-1.011,-1.011,-1.016,-1.020,-1.024,-1.029,-1.033,\n &-1.037,-1.040,-1.044,-1.048,-1.052,-1.055,-1.059,-1.062,-1.065,\n &-1.069,-1.072,-1.075,-1.078,-1.081,-1.084,-1.087,-1.090,-1.093,\n &-1.096,-1.099,-1.102,-1.104,-1.107,-1.110,-1.112,-1.115,-1.117,\n &-1.120,-1.122,-1.125,-1.127,-1.129,-1.132,-1.134,-1.136,-1.139,\n &-1.141,-1.143,-1.145,-1.147,-1.149,-1.151,-1.153,-1.155,-1.157,\n &-1.159,-1.161,-1.163,-1.165,-1.167,-1.169,-1.171,-1.173,-1.174,\n &-1.176,-1.178,-1.180,-1.181,-1.183,-1.185,-1.187,-1.188,-1.190,\n &-1.191,-1.193,-1.195,-1.196,-1.198,-1.199,-1.201,-1.202,-1.204,\n &-1.205,-1.207,-1.208,-1.210,-1.211,-1.213,-1.214,-1.216,-1.217,\n &-1.218,-1.220,-1.221,-1.223,-1.224,-1.225,-1.226,-1.228,-1.229,\n &-1.230,-1.232,-1.233,-1.234,-1.235,-1.237,-1.238,-1.239,-1.240,\n &-1.242,-1.243,-1.244,-1.245,-1.246,-1.247,-1.249,-1.250,-1.251,\n &-1.252,-1.253,-1.254,-1.255,-1.256,-1.258,-1.259,-1.260,-1.261,\n &-1.262,-1.263,-1.264,-1.265,-1.266,-1.267,-1.268,-1.269,-1.270,\n &-1.271,-1.272,-1.273,-1.274,-1.275,-1.276,-1.277,-1.278,-1.279,\n &-1.280,-1.281,-1.282,-1.283,-1.283,-1.284,-1.285,-1.286,-1.287,\n &-1.288,-1.289,-1.290,-1.291,-1.292,-1.292,-1.293,-1.294,-1.295,\n &-1.296,-1.297,-1.298\n & /\nC\nC *** NH4NO3\nC\n DATA BNC05M/\n &-0.047,-0.104,-0.134,-0.155,-0.172,-0.187,-0.199,-0.211,-0.221,\n &-0.230,-0.239,-0.247,-0.255,-0.262,-0.268,-0.275,-0.281,-0.287,\n &-0.293,-0.298,-0.303,-0.308,-0.313,-0.318,-0.323,-0.327,-0.332,\n &-0.336,-0.340,-0.344,-0.348,-0.352,-0.356,-0.359,-0.363,-0.366,\n &-0.370,-0.373,-0.377,-0.380,-0.383,-0.386,-0.389,-0.392,-0.395,\n &-0.398,-0.401,-0.404,-0.406,-0.409,-0.412,-0.414,-0.417,-0.420,\n &-0.422,-0.425,-0.427,-0.429,-0.432,-0.434,-0.436,-0.439,-0.441,\n &-0.443,-0.445,-0.447,-0.450,-0.452,-0.454,-0.456,-0.458,-0.460,\n &-0.462,-0.464,-0.466,-0.468,-0.470,-0.472,-0.474,-0.476,-0.478,\n &-0.480,-0.481,-0.483,-0.485,-0.487,-0.489,-0.491,-0.492,-0.494,\n &-0.496,-0.498,-0.500,-0.501,-0.503,-0.505,-0.507,-0.508,-0.510,\n &-0.512,-0.514,-0.515,-0.517,-0.519,-0.520,-0.522,-0.524,-0.525,\n &-0.527,-0.529,-0.530,-0.532,-0.534,-0.535,-0.537,-0.538,-0.540,\n &-0.542,-0.543,-0.545,-0.546,-0.548,-0.550,-0.551,-0.553,-0.554,\n &-0.556,-0.557,-0.559,-0.560,-0.562,-0.563,-0.565,-0.566,-0.568,\n &-0.569,-0.571,-0.572,-0.573,-0.575,-0.576,-0.578,-0.579,-0.580,\n &-0.582,-0.583,-0.585,-0.586,-0.587,-0.589,-0.590,-0.591,-0.593,\n &-0.594,-0.595,-0.597,-0.598,-0.599,-0.601,-0.602,-0.603,-0.604,\n &-0.606,-0.607,-0.608,-0.610,-0.611,-0.612,-0.613,-0.615,-0.616,\n &-0.617,-0.618,-0.619,-0.621,-0.622,-0.623,-0.624,-0.625,-0.627,\n &-0.628,-0.629,-0.630,-0.631,-0.632,-0.634,-0.635,-0.636,-0.637,\n &-0.638,-0.639,-0.640,-0.642,-0.643,-0.644,-0.645,-0.646,-0.647,\n &-0.648,-0.649,-0.650,-0.651,-0.652,-0.654,-0.655,-0.656,-0.657,\n &-0.658,-0.659,-0.660,-0.661,-0.662,-0.663,-0.664,-0.665,-0.666,\n &-0.667,-0.668,-0.669,-0.670,-0.671,-0.672,-0.673,-0.674,-0.675,\n &-0.676,-0.677,-0.678,-0.679,-0.680,-0.681,-0.682,-0.683,-0.684,\n &-0.685,-0.686,-0.687,-0.688,-0.688,-0.689,-0.690,-0.691,-0.692,\n &-0.693,-0.694,-0.695,-0.696,-0.697,-0.698,-0.699,-0.699,-0.700,\n &-0.701,-0.702,-0.703,-0.704,-0.705,-0.706,-0.707,-0.707,-0.708,\n &-0.709,-0.710,-0.711,-0.712,-0.713,-0.713,-0.714,-0.715,-0.716,\n &-0.717,-0.718,-0.718,-0.719,-0.720,-0.721,-0.722,-0.723,-0.723,\n &-0.724,-0.725,-0.726,-0.727,-0.727,-0.728,-0.729,-0.730,-0.731,\n &-0.731,-0.732,-0.733,-0.734,-0.735,-0.735,-0.736,-0.737,-0.738,\n &-0.738,-0.739,-0.740,-0.741,-0.741,-0.742,-0.743,-0.744,-0.744,\n &-0.745,-0.746,-0.747,-0.747,-0.748,-0.749,-0.750,-0.750,-0.751,\n &-0.752,-0.753,-0.753,-0.754,-0.755,-0.755,-0.756,-0.757,-0.758,\n &-0.758,-0.759,-0.760,-0.760,-0.761,-0.762,-0.762,-0.763,-0.764,\n &-0.764,-0.765,-0.766,-0.767,-0.767,-0.768,-0.769,-0.769,-0.770,\n &-0.771,-0.771,-0.772,-0.773,-0.773,-0.774,-0.775,-0.775,-0.776,\n &-0.777,-0.777,-0.778,-0.778,-0.779,-0.780,-0.780,-0.781,-0.782,\n &-0.782,-0.783,-0.784,-0.784,-0.785,-0.785,-0.786,-0.787,-0.787,\n &-0.788,-0.789,-0.789,-0.790,-0.790,-0.791,-0.792,-0.792,-0.793,\n &-0.793,-0.794,-0.795,-0.795,-0.796,-0.796,-0.797,-0.798,-0.798,\n &-0.799,-0.799,-0.800,-0.801,-0.801,-0.802,-0.802,-0.803,-0.804,\n &-0.804,-0.805,-0.805,-0.806,-0.812,-0.817,-0.823,-0.828,-0.833,\n &-0.838,-0.843,-0.848,-0.852,-0.857,-0.861,-0.866,-0.870,-0.874,\n &-0.878,-0.882,-0.886,-0.890,-0.893,-0.897,-0.900,-0.904,-0.907,\n &-0.911,-0.914,-0.917,-0.920,-0.924,-0.927,-0.930,-0.933,-0.936,\n &-0.938,-0.941,-0.944,-0.947,-0.949,-0.952,-0.954,-0.957,-0.959,\n &-0.962,-0.964,-0.967,-0.969,-0.971,-0.973,-0.976,-0.978,-0.980,\n &-0.982,-0.984,-0.986,-0.988,-0.990,-0.992,-0.994,-0.996,-0.998,\n &-1.000,-1.002,-1.003,-1.005,-1.007,-1.009,-1.010,-1.012,-1.014,\n &-1.015,-1.017,-1.019,-1.020,-1.022,-1.023,-1.025,-1.026,-1.028,\n &-1.029,-1.031,-1.032,-1.033,-1.035,-1.036,-1.037,-1.039,-1.040,\n &-1.041,-1.043,-1.044,-1.045,-1.046,-1.048,-1.049,-1.050,-1.051,\n &-1.052,-1.054,-1.055,-1.056,-1.057,-1.058,-1.059,-1.060,-1.061,\n &-1.062,-1.063,-1.064,-1.066,-1.067,-1.068,-1.069,-1.070,-1.070,\n &-1.071,-1.072,-1.073,-1.074,-1.075,-1.076,-1.077,-1.078,-1.079,\n &-1.080,-1.081,-1.081,-1.082,-1.083,-1.084,-1.085,-1.086,-1.086,\n &-1.087,-1.088,-1.089,-1.090,-1.090,-1.091,-1.092,-1.093,-1.093,\n &-1.094,-1.095,-1.096,-1.096,-1.097,-1.098,-1.099,-1.099,-1.100,\n &-1.101,-1.101,-1.102,-1.103,-1.103,-1.104,-1.105,-1.105,-1.106,\n &-1.107,-1.107,-1.108\n & /\nC\nC *** NH4Cl\nC\n DATA BNC06M/\n &-0.046,-0.098,-0.123,-0.140,-0.153,-0.163,-0.172,-0.180,-0.186,\n &-0.191,-0.196,-0.201,-0.205,-0.208,-0.212,-0.215,-0.217,-0.220,\n &-0.222,-0.224,-0.226,-0.228,-0.230,-0.231,-0.233,-0.234,-0.235,\n &-0.237,-0.238,-0.239,-0.240,-0.241,-0.241,-0.242,-0.243,-0.244,\n &-0.244,-0.245,-0.246,-0.246,-0.247,-0.247,-0.247,-0.248,-0.248,\n &-0.249,-0.249,-0.249,-0.250,-0.250,-0.250,-0.250,-0.251,-0.251,\n &-0.251,-0.251,-0.251,-0.251,-0.252,-0.252,-0.252,-0.252,-0.252,\n &-0.252,-0.252,-0.252,-0.252,-0.252,-0.252,-0.252,-0.252,-0.252,\n &-0.252,-0.252,-0.252,-0.252,-0.252,-0.252,-0.252,-0.251,-0.251,\n &-0.251,-0.251,-0.251,-0.251,-0.250,-0.250,-0.250,-0.250,-0.250,\n &-0.249,-0.249,-0.249,-0.249,-0.248,-0.248,-0.248,-0.248,-0.247,\n &-0.247,-0.247,-0.246,-0.246,-0.246,-0.245,-0.245,-0.245,-0.244,\n &-0.244,-0.244,-0.243,-0.243,-0.243,-0.242,-0.242,-0.241,-0.241,\n &-0.241,-0.240,-0.240,-0.239,-0.239,-0.239,-0.238,-0.238,-0.237,\n &-0.237,-0.236,-0.236,-0.236,-0.235,-0.235,-0.234,-0.234,-0.233,\n &-0.233,-0.233,-0.232,-0.232,-0.231,-0.231,-0.230,-0.230,-0.229,\n &-0.229,-0.228,-0.228,-0.228,-0.227,-0.227,-0.226,-0.226,-0.225,\n &-0.225,-0.224,-0.224,-0.223,-0.223,-0.222,-0.222,-0.221,-0.221,\n &-0.220,-0.220,-0.220,-0.219,-0.219,-0.218,-0.218,-0.217,-0.217,\n &-0.216,-0.216,-0.215,-0.215,-0.214,-0.214,-0.213,-0.213,-0.212,\n &-0.212,-0.211,-0.211,-0.210,-0.210,-0.210,-0.209,-0.209,-0.208,\n &-0.208,-0.207,-0.207,-0.206,-0.206,-0.205,-0.205,-0.204,-0.204,\n &-0.203,-0.203,-0.202,-0.202,-0.201,-0.201,-0.200,-0.200,-0.199,\n &-0.199,-0.198,-0.198,-0.197,-0.197,-0.197,-0.196,-0.196,-0.195,\n &-0.195,-0.194,-0.194,-0.193,-0.193,-0.192,-0.192,-0.191,-0.191,\n &-0.190,-0.190,-0.189,-0.189,-0.188,-0.188,-0.187,-0.187,-0.186,\n &-0.186,-0.186,-0.185,-0.185,-0.184,-0.184,-0.183,-0.183,-0.182,\n &-0.182,-0.181,-0.181,-0.180,-0.180,-0.179,-0.179,-0.178,-0.178,\n &-0.177,-0.177,-0.177,-0.176,-0.176,-0.175,-0.175,-0.174,-0.174,\n &-0.173,-0.173,-0.172,-0.172,-0.171,-0.171,-0.170,-0.170,-0.170,\n &-0.169,-0.169,-0.168,-0.168,-0.167,-0.167,-0.166,-0.166,-0.165,\n &-0.165,-0.164,-0.164,-0.164,-0.163,-0.163,-0.162,-0.162,-0.161,\n &-0.161,-0.160,-0.160,-0.159,-0.159,-0.159,-0.158,-0.158,-0.157,\n &-0.157,-0.156,-0.156,-0.155,-0.155,-0.154,-0.154,-0.154,-0.153,\n &-0.153,-0.152,-0.152,-0.151,-0.151,-0.150,-0.150,-0.149,-0.149,\n &-0.149,-0.148,-0.148,-0.147,-0.147,-0.146,-0.146,-0.145,-0.145,\n &-0.145,-0.144,-0.144,-0.143,-0.143,-0.142,-0.142,-0.142,-0.141,\n &-0.141,-0.140,-0.140,-0.139,-0.139,-0.138,-0.138,-0.138,-0.137,\n &-0.137,-0.136,-0.136,-0.135,-0.135,-0.135,-0.134,-0.134,-0.133,\n &-0.133,-0.132,-0.132,-0.132,-0.131,-0.131,-0.130,-0.130,-0.129,\n &-0.129,-0.129,-0.128,-0.128,-0.127,-0.127,-0.126,-0.126,-0.126,\n &-0.125,-0.125,-0.124,-0.124,-0.123,-0.123,-0.123,-0.122,-0.122,\n &-0.121,-0.121,-0.121,-0.120,-0.120,-0.119,-0.119,-0.118,-0.118,\n &-0.118,-0.117,-0.117,-0.116,-0.116,-0.116,-0.115,-0.115,-0.114,\n &-0.114,-0.114,-0.113,-0.113,-0.108,-0.104,-0.100,-0.096,-0.092,\n &-0.089,-0.085,-0.081,-0.077,-0.074,-0.070,-0.066,-0.063,-0.059,\n &-0.055,-0.052,-0.049,-0.045,-0.042,-0.038,-0.035,-0.032,-0.028,\n &-0.025,-0.022,-0.019,-0.016,-0.012,-0.009,-0.006,-0.003, 0.000,\n & 0.003, 0.006, 0.009, 0.012, 0.014, 0.017, 0.020, 0.023, 0.026,\n & 0.029, 0.031, 0.034, 0.037, 0.040, 0.042, 0.045, 0.047, 0.050,\n & 0.053, 0.055, 0.058, 0.060, 0.063, 0.065, 0.068, 0.070, 0.073,\n & 0.075, 0.078, 0.080, 0.082, 0.085, 0.087, 0.089, 0.092, 0.094,\n & 0.096, 0.099, 0.101, 0.103, 0.105, 0.107, 0.110, 0.112, 0.114,\n & 0.116, 0.118, 0.120, 0.123, 0.125, 0.127, 0.129, 0.131, 0.133,\n & 0.135, 0.137, 0.139, 0.141, 0.143, 0.145, 0.147, 0.149, 0.151,\n & 0.153, 0.155, 0.157, 0.159, 0.160, 0.162, 0.164, 0.166, 0.168,\n & 0.170, 0.172, 0.173, 0.175, 0.177, 0.179, 0.181, 0.182, 0.184,\n & 0.186, 0.188, 0.189, 0.191, 0.193, 0.195, 0.196, 0.198, 0.200,\n & 0.201, 0.203, 0.205, 0.206, 0.208, 0.210, 0.211, 0.213, 0.215,\n & 0.216, 0.218, 0.219, 0.221, 0.223, 0.224, 0.226, 0.227, 0.229,\n & 0.230, 0.232, 0.233, 0.235, 0.236, 0.238, 0.239, 0.241, 0.242,\n & 0.244, 0.245, 0.247, 0.248, 0.250, 0.251, 0.253, 0.254, 0.256,\n & 0.257, 0.258, 0.260\n & /\nC\nC *** (2H,SO4)\nC\n DATA BNC07M/\n &-0.093,-0.202,-0.255,-0.293,-0.323,-0.347,-0.368,-0.386,-0.402,\n &-0.417,-0.430,-0.442,-0.453,-0.463,-0.473,-0.482,-0.490,-0.498,\n &-0.506,-0.513,-0.520,-0.526,-0.532,-0.538,-0.544,-0.549,-0.555,\n &-0.560,-0.565,-0.569,-0.574,-0.578,-0.583,-0.587,-0.591,-0.595,\n &-0.598,-0.602,-0.606,-0.609,-0.613,-0.616,-0.619,-0.622,-0.625,\n &-0.628,-0.631,-0.634,-0.637,-0.640,-0.642,-0.645,-0.648,-0.650,\n &-0.653,-0.655,-0.657,-0.660,-0.662,-0.664,-0.666,-0.669,-0.671,\n &-0.673,-0.675,-0.677,-0.679,-0.681,-0.683,-0.685,-0.687,-0.688,\n &-0.690,-0.692,-0.694,-0.695,-0.697,-0.699,-0.701,-0.702,-0.704,\n &-0.705,-0.707,-0.709,-0.710,-0.712,-0.713,-0.715,-0.716,-0.718,\n &-0.719,-0.721,-0.722,-0.723,-0.725,-0.726,-0.727,-0.729,-0.730,\n &-0.731,-0.733,-0.734,-0.735,-0.737,-0.738,-0.739,-0.740,-0.741,\n &-0.743,-0.744,-0.745,-0.746,-0.747,-0.748,-0.750,-0.751,-0.752,\n &-0.753,-0.754,-0.755,-0.756,-0.757,-0.758,-0.759,-0.760,-0.762,\n &-0.763,-0.764,-0.765,-0.766,-0.767,-0.768,-0.769,-0.769,-0.770,\n &-0.771,-0.772,-0.773,-0.774,-0.775,-0.776,-0.777,-0.778,-0.779,\n &-0.780,-0.781,-0.781,-0.782,-0.783,-0.784,-0.785,-0.786,-0.787,\n &-0.787,-0.788,-0.789,-0.790,-0.791,-0.792,-0.792,-0.793,-0.794,\n &-0.795,-0.795,-0.796,-0.797,-0.798,-0.799,-0.799,-0.800,-0.801,\n &-0.802,-0.802,-0.803,-0.804,-0.804,-0.805,-0.806,-0.807,-0.807,\n &-0.808,-0.809,-0.809,-0.810,-0.811,-0.811,-0.812,-0.813,-0.814,\n &-0.814,-0.815,-0.816,-0.816,-0.817,-0.817,-0.818,-0.819,-0.819,\n &-0.820,-0.821,-0.821,-0.822,-0.823,-0.823,-0.824,-0.824,-0.825,\n &-0.826,-0.826,-0.827,-0.827,-0.828,-0.829,-0.829,-0.830,-0.830,\n &-0.831,-0.831,-0.832,-0.833,-0.833,-0.834,-0.834,-0.835,-0.835,\n &-0.836,-0.837,-0.837,-0.838,-0.838,-0.839,-0.839,-0.840,-0.840,\n &-0.841,-0.841,-0.842,-0.842,-0.843,-0.843,-0.844,-0.845,-0.845,\n &-0.846,-0.846,-0.847,-0.847,-0.848,-0.848,-0.849,-0.849,-0.850,\n &-0.850,-0.851,-0.851,-0.851,-0.852,-0.852,-0.853,-0.853,-0.854,\n &-0.854,-0.855,-0.855,-0.856,-0.856,-0.857,-0.857,-0.858,-0.858,\n &-0.859,-0.859,-0.859,-0.860,-0.860,-0.861,-0.861,-0.862,-0.862,\n &-0.863,-0.863,-0.863,-0.864,-0.864,-0.865,-0.865,-0.866,-0.866,\n &-0.866,-0.867,-0.867,-0.868,-0.868,-0.869,-0.869,-0.869,-0.870,\n &-0.870,-0.871,-0.871,-0.871,-0.872,-0.872,-0.873,-0.873,-0.873,\n &-0.874,-0.874,-0.875,-0.875,-0.875,-0.876,-0.876,-0.877,-0.877,\n &-0.877,-0.878,-0.878,-0.878,-0.879,-0.879,-0.880,-0.880,-0.880,\n &-0.881,-0.881,-0.881,-0.882,-0.882,-0.883,-0.883,-0.883,-0.884,\n &-0.884,-0.884,-0.885,-0.885,-0.885,-0.886,-0.886,-0.887,-0.887,\n &-0.887,-0.888,-0.888,-0.888,-0.889,-0.889,-0.889,-0.890,-0.890,\n &-0.890,-0.891,-0.891,-0.891,-0.892,-0.892,-0.892,-0.893,-0.893,\n &-0.893,-0.894,-0.894,-0.894,-0.895,-0.895,-0.895,-0.896,-0.896,\n &-0.896,-0.897,-0.897,-0.897,-0.898,-0.898,-0.898,-0.899,-0.899,\n &-0.899,-0.900,-0.900,-0.900,-0.901,-0.901,-0.901,-0.901,-0.902,\n &-0.902,-0.902,-0.903,-0.903,-0.903,-0.904,-0.904,-0.904,-0.905,\n &-0.905,-0.905,-0.905,-0.906,-0.909,-0.912,-0.915,-0.917,-0.920,\n &-0.922,-0.925,-0.927,-0.930,-0.932,-0.935,-0.937,-0.939,-0.941,\n &-0.943,-0.945,-0.947,-0.949,-0.951,-0.953,-0.955,-0.957,-0.959,\n &-0.961,-0.962,-0.964,-0.966,-0.967,-0.969,-0.971,-0.972,-0.974,\n &-0.975,-0.977,-0.978,-0.980,-0.981,-0.983,-0.984,-0.986,-0.987,\n &-0.988,-0.990,-0.991,-0.992,-0.994,-0.995,-0.996,-0.997,-0.999,\n &-1.000,-1.001,-1.002,-1.003,-1.004,-1.006,-1.007,-1.008,-1.009,\n &-1.010,-1.011,-1.012,-1.013,-1.014,-1.015,-1.016,-1.017,-1.018,\n &-1.019,-1.020,-1.021,-1.022,-1.023,-1.024,-1.025,-1.026,-1.027,\n &-1.028,-1.028,-1.029,-1.030,-1.031,-1.032,-1.033,-1.034,-1.034,\n &-1.035,-1.036,-1.037,-1.038,-1.039,-1.039,-1.040,-1.041,-1.042,\n &-1.042,-1.043,-1.044,-1.045,-1.045,-1.046,-1.047,-1.048,-1.048,\n &-1.049,-1.050,-1.050,-1.051,-1.052,-1.052,-1.053,-1.054,-1.055,\n &-1.055,-1.056,-1.056,-1.057,-1.058,-1.058,-1.059,-1.060,-1.060,\n &-1.061,-1.062,-1.062,-1.063,-1.063,-1.064,-1.065,-1.065,-1.066,\n &-1.066,-1.067,-1.068,-1.068,-1.069,-1.069,-1.070,-1.070,-1.071,\n &-1.071,-1.072,-1.073,-1.073,-1.074,-1.074,-1.075,-1.075,-1.076,\n &-1.076,-1.077,-1.077,-1.078,-1.078,-1.079,-1.079,-1.080,-1.080,\n &-1.081,-1.081,-1.082\n & /\nC\nC *** (H,HSO4)\nC\n DATA BNC08M/\n &-0.044,-0.088,-0.106,-0.116,-0.123,-0.128,-0.131,-0.133,-0.134,\n &-0.134,-0.134,-0.133,-0.131,-0.129,-0.127,-0.125,-0.122,-0.119,\n &-0.115,-0.112,-0.108,-0.104,-0.100,-0.095,-0.091,-0.086,-0.081,\n &-0.076,-0.071,-0.066,-0.060,-0.055,-0.049,-0.043,-0.037,-0.031,\n &-0.025,-0.019,-0.013,-0.006, 0.000, 0.007, 0.013, 0.020, 0.027,\n & 0.034, 0.041, 0.048, 0.055, 0.062, 0.069, 0.076, 0.083, 0.090,\n & 0.098, 0.105, 0.113, 0.120, 0.127, 0.135, 0.143, 0.150, 0.158,\n & 0.166, 0.173, 0.181, 0.189, 0.197, 0.205, 0.212, 0.220, 0.228,\n & 0.236, 0.245, 0.253, 0.261, 0.269, 0.277, 0.286, 0.294, 0.302,\n & 0.311, 0.319, 0.328, 0.336, 0.345, 0.353, 0.362, 0.371, 0.380,\n & 0.388, 0.397, 0.406, 0.415, 0.424, 0.433, 0.442, 0.451, 0.460,\n & 0.469, 0.479, 0.488, 0.497, 0.506, 0.516, 0.525, 0.535, 0.544,\n & 0.553, 0.563, 0.572, 0.582, 0.591, 0.601, 0.610, 0.620, 0.629,\n & 0.639, 0.648, 0.658, 0.667, 0.677, 0.686, 0.696, 0.705, 0.715,\n & 0.725, 0.734, 0.744, 0.753, 0.763, 0.772, 0.782, 0.791, 0.800,\n & 0.810, 0.819, 0.829, 0.838, 0.848, 0.857, 0.866, 0.876, 0.885,\n & 0.894, 0.904, 0.913, 0.922, 0.932, 0.941, 0.950, 0.959, 0.968,\n & 0.978, 0.987, 0.996, 1.005, 1.014, 1.023, 1.032, 1.041, 1.050,\n & 1.059, 1.069, 1.077, 1.086, 1.095, 1.104, 1.113, 1.122, 1.131,\n & 1.140, 1.149, 1.158, 1.166, 1.175, 1.184, 1.193, 1.202, 1.210,\n & 1.219, 1.228, 1.236, 1.245, 1.254, 1.262, 1.271, 1.279, 1.288,\n & 1.296, 1.305, 1.314, 1.322, 1.330, 1.339, 1.347, 1.356, 1.364,\n & 1.373, 1.381, 1.389, 1.398, 1.406, 1.414, 1.422, 1.431, 1.439,\n & 1.447, 1.455, 1.464, 1.472, 1.480, 1.488, 1.496, 1.504, 1.512,\n & 1.520, 1.528, 1.537, 1.545, 1.553, 1.561, 1.568, 1.576, 1.584,\n & 1.592, 1.600, 1.608, 1.616, 1.624, 1.632, 1.639, 1.647, 1.655,\n & 1.663, 1.670, 1.678, 1.686, 1.694, 1.701, 1.709, 1.717, 1.724,\n & 1.732, 1.740, 1.747, 1.755, 1.762, 1.770, 1.777, 1.785, 1.792,\n & 1.800, 1.807, 1.815, 1.822, 1.830, 1.837, 1.844, 1.852, 1.859,\n & 1.866, 1.874, 1.881, 1.888, 1.896, 1.903, 1.910, 1.917, 1.925,\n & 1.932, 1.939, 1.946, 1.953, 1.961, 1.968, 1.975, 1.982, 1.989,\n & 1.996, 2.003, 2.010, 2.017, 2.024, 2.031, 2.038, 2.045, 2.052,\n & 2.059, 2.066, 2.073, 2.080, 2.087, 2.094, 2.101, 2.108, 2.114,\n & 2.121, 2.128, 2.135, 2.142, 2.148, 2.155, 2.162, 2.169, 2.175,\n & 2.182, 2.189, 2.196, 2.202, 2.209, 2.216, 2.222, 2.229, 2.236,\n & 2.242, 2.249, 2.255, 2.262, 2.268, 2.275, 2.281, 2.288, 2.295,\n & 2.301, 2.308, 2.314, 2.320, 2.327, 2.333, 2.340, 2.346, 2.353,\n & 2.359, 2.365, 2.372, 2.378, 2.384, 2.391, 2.397, 2.403, 2.410,\n & 2.416, 2.422, 2.429, 2.435, 2.441, 2.447, 2.453, 2.460, 2.466,\n & 2.472, 2.478, 2.484, 2.491, 2.497, 2.503, 2.509, 2.515, 2.521,\n & 2.527, 2.533, 2.539, 2.546, 2.552, 2.558, 2.564, 2.570, 2.576,\n & 2.582, 2.588, 2.594, 2.600, 2.606, 2.612, 2.617, 2.623, 2.629,\n & 2.635, 2.641, 2.647, 2.653, 2.659, 2.665, 2.670, 2.676, 2.682,\n & 2.688, 2.694, 2.700, 2.705, 2.711, 2.717, 2.723, 2.728, 2.734,\n & 2.740, 2.746, 2.751, 2.757, 2.818, 2.874, 2.928, 2.982, 3.035,\n & 3.087, 3.139, 3.190, 3.239, 3.289, 3.337, 3.385, 3.432, 3.479,\n & 3.525, 3.571, 3.615, 3.660, 3.703, 3.746, 3.789, 3.831, 3.873,\n & 3.914, 3.954, 3.995, 4.034, 4.073, 4.112, 4.151, 4.189, 4.226,\n & 4.263, 4.300, 4.336, 4.372, 4.408, 4.443, 4.478, 4.513, 4.547,\n & 4.581, 4.614, 4.647, 4.680, 4.713, 4.745, 4.777, 4.809, 4.840,\n & 4.871, 4.902, 4.933, 4.963, 4.993, 5.023, 5.052, 5.082, 5.111,\n & 5.140, 5.168, 5.196, 5.224, 5.252, 5.280, 5.307, 5.335, 5.362,\n & 5.388, 5.415, 5.441, 5.468, 5.494, 5.519, 5.545, 5.570, 5.596,\n & 5.621, 5.646, 5.670, 5.695, 5.719, 5.743, 5.767, 5.791, 5.815,\n & 5.838, 5.862, 5.885, 5.908, 5.931, 5.954, 5.976, 5.999, 6.021,\n & 6.043, 6.065, 6.087, 6.109, 6.130, 6.152, 6.173, 6.194, 6.215,\n & 6.236, 6.257, 6.278, 6.298, 6.319, 6.339, 6.359, 6.380, 6.400,\n & 6.419, 6.439, 6.459, 6.478, 6.498, 6.517, 6.536, 6.555, 6.574,\n & 6.593, 6.612, 6.631, 6.649, 6.668, 6.686, 6.705, 6.723, 6.741,\n & 6.759, 6.777, 6.795, 6.812, 6.830, 6.848, 6.865, 6.882, 6.900,\n & 6.917, 6.934, 6.951, 6.968, 6.985, 7.002, 7.018, 7.035, 7.052,\n & 7.068, 7.084, 7.101, 7.117, 7.133, 7.149, 7.165, 7.181, 7.197,\n & 7.213, 7.229, 7.244\n & /\nC\nC *** NH4HSO4\nC\n DATA BNC09M/\n &-0.046,-0.097,-0.122,-0.138,-0.151,-0.162,-0.170,-0.177,-0.184,\n &-0.189,-0.194,-0.198,-0.202,-0.206,-0.209,-0.212,-0.214,-0.216,\n &-0.218,-0.220,-0.222,-0.223,-0.224,-0.225,-0.226,-0.227,-0.227,\n &-0.228,-0.228,-0.228,-0.228,-0.228,-0.228,-0.228,-0.228,-0.227,\n &-0.227,-0.226,-0.225,-0.225,-0.224,-0.223,-0.222,-0.221,-0.220,\n &-0.219,-0.218,-0.216,-0.215,-0.214,-0.212,-0.211,-0.209,-0.208,\n &-0.206,-0.204,-0.203,-0.201,-0.199,-0.197,-0.195,-0.193,-0.192,\n &-0.190,-0.188,-0.185,-0.183,-0.181,-0.179,-0.177,-0.175,-0.173,\n &-0.170,-0.168,-0.166,-0.163,-0.161,-0.159,-0.156,-0.154,-0.151,\n &-0.149,-0.146,-0.144,-0.141,-0.139,-0.136,-0.133,-0.131,-0.128,\n &-0.125,-0.122,-0.120,-0.117,-0.114,-0.111,-0.108,-0.106,-0.103,\n &-0.100,-0.097,-0.094,-0.091,-0.088,-0.085,-0.082,-0.079,-0.076,\n &-0.073,-0.070,-0.067,-0.064,-0.061,-0.058,-0.055,-0.052,-0.049,\n &-0.045,-0.042,-0.039,-0.036,-0.033,-0.030,-0.027,-0.024,-0.021,\n &-0.018,-0.014,-0.011,-0.008,-0.005,-0.002, 0.001, 0.004, 0.007,\n & 0.010, 0.013, 0.016, 0.020, 0.023, 0.026, 0.029, 0.032, 0.035,\n & 0.038, 0.041, 0.044, 0.047, 0.050, 0.053, 0.056, 0.059, 0.062,\n & 0.065, 0.068, 0.071, 0.074, 0.077, 0.080, 0.083, 0.086, 0.089,\n & 0.092, 0.095, 0.098, 0.101, 0.104, 0.106, 0.109, 0.112, 0.115,\n & 0.118, 0.121, 0.124, 0.127, 0.130, 0.132, 0.135, 0.138, 0.141,\n & 0.144, 0.147, 0.150, 0.152, 0.155, 0.158, 0.161, 0.164, 0.166,\n & 0.169, 0.172, 0.175, 0.177, 0.180, 0.183, 0.186, 0.188, 0.191,\n & 0.194, 0.197, 0.199, 0.202, 0.205, 0.208, 0.210, 0.213, 0.216,\n & 0.218, 0.221, 0.224, 0.226, 0.229, 0.232, 0.234, 0.237, 0.239,\n & 0.242, 0.245, 0.247, 0.250, 0.253, 0.255, 0.258, 0.260, 0.263,\n & 0.265, 0.268, 0.271, 0.273, 0.276, 0.278, 0.281, 0.283, 0.286,\n & 0.288, 0.291, 0.293, 0.296, 0.298, 0.301, 0.303, 0.306, 0.308,\n & 0.311, 0.313, 0.316, 0.318, 0.321, 0.323, 0.326, 0.328, 0.330,\n & 0.333, 0.335, 0.338, 0.340, 0.343, 0.345, 0.347, 0.350, 0.352,\n & 0.355, 0.357, 0.359, 0.362, 0.364, 0.366, 0.369, 0.371, 0.374,\n & 0.376, 0.378, 0.381, 0.383, 0.385, 0.388, 0.390, 0.392, 0.394,\n & 0.397, 0.399, 0.401, 0.404, 0.406, 0.408, 0.410, 0.413, 0.415,\n & 0.417, 0.420, 0.422, 0.424, 0.426, 0.429, 0.431, 0.433, 0.435,\n & 0.437, 0.440, 0.442, 0.444, 0.446, 0.449, 0.451, 0.453, 0.455,\n & 0.457, 0.460, 0.462, 0.464, 0.466, 0.468, 0.470, 0.473, 0.475,\n & 0.477, 0.479, 0.481, 0.483, 0.485, 0.488, 0.490, 0.492, 0.494,\n & 0.496, 0.498, 0.500, 0.502, 0.504, 0.507, 0.509, 0.511, 0.513,\n & 0.515, 0.517, 0.519, 0.521, 0.523, 0.525, 0.527, 0.529, 0.531,\n & 0.534, 0.536, 0.538, 0.540, 0.542, 0.544, 0.546, 0.548, 0.550,\n & 0.552, 0.554, 0.556, 0.558, 0.560, 0.562, 0.564, 0.566, 0.568,\n & 0.570, 0.572, 0.574, 0.576, 0.578, 0.580, 0.582, 0.584, 0.586,\n & 0.588, 0.590, 0.592, 0.593, 0.595, 0.597, 0.599, 0.601, 0.603,\n & 0.605, 0.607, 0.609, 0.611, 0.613, 0.615, 0.617, 0.619, 0.620,\n & 0.622, 0.624, 0.626, 0.628, 0.630, 0.632, 0.634, 0.636, 0.637,\n & 0.639, 0.641, 0.643, 0.645, 0.665, 0.683, 0.701, 0.719, 0.736,\n & 0.753, 0.770, 0.787, 0.803, 0.820, 0.836, 0.852, 0.867, 0.883,\n & 0.898, 0.913, 0.928, 0.942, 0.957, 0.971, 0.985, 0.999, 1.013,\n & 1.027, 1.040, 1.053, 1.067, 1.080, 1.093, 1.105, 1.118, 1.131,\n & 1.143, 1.155, 1.167, 1.179, 1.191, 1.203, 1.215, 1.226, 1.238,\n & 1.249, 1.260, 1.271, 1.283, 1.293, 1.304, 1.315, 1.326, 1.336,\n & 1.347, 1.357, 1.367, 1.377, 1.388, 1.398, 1.408, 1.417, 1.427,\n & 1.437, 1.446, 1.456, 1.466, 1.475, 1.484, 1.493, 1.503, 1.512,\n & 1.521, 1.530, 1.539, 1.548, 1.556, 1.565, 1.574, 1.582, 1.591,\n & 1.599, 1.608, 1.616, 1.624, 1.633, 1.641, 1.649, 1.657, 1.665,\n & 1.673, 1.681, 1.689, 1.697, 1.704, 1.712, 1.720, 1.727, 1.735,\n & 1.742, 1.750, 1.757, 1.765, 1.772, 1.779, 1.787, 1.794, 1.801,\n & 1.808, 1.815, 1.822, 1.829, 1.836, 1.843, 1.850, 1.857, 1.864,\n & 1.870, 1.877, 1.884, 1.890, 1.897, 1.904, 1.910, 1.917, 1.923,\n & 1.930, 1.936, 1.942, 1.949, 1.955, 1.961, 1.968, 1.974, 1.980,\n & 1.986, 1.992, 1.998, 2.004, 2.010, 2.016, 2.022, 2.028, 2.034,\n & 2.040, 2.046, 2.052, 2.058, 2.063, 2.069, 2.075, 2.080, 2.086,\n & 2.092, 2.097, 2.103, 2.108, 2.114, 2.119, 2.125, 2.130, 2.136,\n & 2.141, 2.147, 2.152\n & /\nC\nC *** (H,NO3)\nC\n DATA BNC10M/\n &-0.045,-0.094,-0.116,-0.130,-0.140,-0.147,-0.153,-0.158,-0.162,\n &-0.165,-0.167,-0.169,-0.171,-0.172,-0.173,-0.173,-0.174,-0.174,\n &-0.174,-0.173,-0.173,-0.172,-0.172,-0.171,-0.170,-0.169,-0.168,\n &-0.167,-0.166,-0.165,-0.163,-0.162,-0.161,-0.159,-0.158,-0.156,\n &-0.155,-0.153,-0.152,-0.150,-0.148,-0.147,-0.145,-0.143,-0.142,\n &-0.140,-0.138,-0.136,-0.135,-0.133,-0.131,-0.129,-0.127,-0.126,\n &-0.124,-0.122,-0.120,-0.118,-0.117,-0.115,-0.113,-0.111,-0.109,\n &-0.107,-0.106,-0.104,-0.102,-0.100,-0.098,-0.096,-0.094,-0.092,\n &-0.090,-0.088,-0.086,-0.084,-0.083,-0.081,-0.079,-0.077,-0.074,\n &-0.072,-0.070,-0.068,-0.066,-0.064,-0.062,-0.060,-0.058,-0.056,\n &-0.053,-0.051,-0.049,-0.047,-0.045,-0.042,-0.040,-0.038,-0.036,\n &-0.033,-0.031,-0.029,-0.026,-0.024,-0.022,-0.019,-0.017,-0.015,\n &-0.012,-0.010,-0.008,-0.005,-0.003, 0.000, 0.002, 0.004, 0.007,\n & 0.009, 0.012, 0.014, 0.017, 0.019, 0.022, 0.024, 0.026, 0.029,\n & 0.031, 0.034, 0.036, 0.039, 0.041, 0.044, 0.046, 0.049, 0.051,\n & 0.053, 0.056, 0.058, 0.061, 0.063, 0.066, 0.068, 0.071, 0.073,\n & 0.075, 0.078, 0.080, 0.083, 0.085, 0.088, 0.090, 0.092, 0.095,\n & 0.097, 0.100, 0.102, 0.105, 0.107, 0.109, 0.112, 0.114, 0.117,\n & 0.119, 0.121, 0.124, 0.126, 0.129, 0.131, 0.133, 0.136, 0.138,\n & 0.140, 0.143, 0.145, 0.148, 0.150, 0.152, 0.155, 0.157, 0.159,\n & 0.162, 0.164, 0.166, 0.169, 0.171, 0.173, 0.176, 0.178, 0.180,\n & 0.183, 0.185, 0.187, 0.190, 0.192, 0.194, 0.197, 0.199, 0.201,\n & 0.204, 0.206, 0.208, 0.210, 0.213, 0.215, 0.217, 0.220, 0.222,\n & 0.224, 0.226, 0.229, 0.231, 0.233, 0.235, 0.238, 0.240, 0.242,\n & 0.244, 0.247, 0.249, 0.251, 0.253, 0.256, 0.258, 0.260, 0.262,\n & 0.264, 0.267, 0.269, 0.271, 0.273, 0.275, 0.278, 0.280, 0.282,\n & 0.284, 0.286, 0.288, 0.291, 0.293, 0.295, 0.297, 0.299, 0.301,\n & 0.304, 0.306, 0.308, 0.310, 0.312, 0.314, 0.317, 0.319, 0.321,\n & 0.323, 0.325, 0.327, 0.329, 0.331, 0.333, 0.336, 0.338, 0.340,\n & 0.342, 0.344, 0.346, 0.348, 0.350, 0.352, 0.354, 0.356, 0.359,\n & 0.361, 0.363, 0.365, 0.367, 0.369, 0.371, 0.373, 0.375, 0.377,\n & 0.379, 0.381, 0.383, 0.385, 0.387, 0.389, 0.391, 0.393, 0.395,\n & 0.397, 0.399, 0.401, 0.403, 0.405, 0.407, 0.409, 0.411, 0.413,\n & 0.415, 0.417, 0.419, 0.421, 0.423, 0.425, 0.427, 0.429, 0.431,\n & 0.433, 0.435, 0.437, 0.439, 0.441, 0.443, 0.445, 0.447, 0.449,\n & 0.451, 0.453, 0.455, 0.456, 0.458, 0.460, 0.462, 0.464, 0.466,\n & 0.468, 0.470, 0.472, 0.474, 0.476, 0.477, 0.479, 0.481, 0.483,\n & 0.485, 0.487, 0.489, 0.491, 0.493, 0.494, 0.496, 0.498, 0.500,\n & 0.502, 0.504, 0.506, 0.507, 0.509, 0.511, 0.513, 0.515, 0.517,\n & 0.518, 0.520, 0.522, 0.524, 0.526, 0.528, 0.529, 0.531, 0.533,\n & 0.535, 0.537, 0.539, 0.540, 0.542, 0.544, 0.546, 0.547, 0.549,\n & 0.551, 0.553, 0.555, 0.556, 0.558, 0.560, 0.562, 0.564, 0.565,\n & 0.567, 0.569, 0.571, 0.572, 0.574, 0.576, 0.578, 0.579, 0.581,\n & 0.583, 0.585, 0.586, 0.588, 0.590, 0.592, 0.593, 0.595, 0.597,\n & 0.598, 0.600, 0.602, 0.604, 0.622, 0.639, 0.655, 0.672, 0.688,\n & 0.704, 0.719, 0.735, 0.750, 0.765, 0.780, 0.795, 0.809, 0.824,\n & 0.838, 0.852, 0.866, 0.879, 0.893, 0.906, 0.919, 0.932, 0.945,\n & 0.958, 0.971, 0.983, 0.996, 1.008, 1.020, 1.032, 1.044, 1.055,\n & 1.067, 1.079, 1.090, 1.101, 1.112, 1.123, 1.134, 1.145, 1.156,\n & 1.167, 1.177, 1.188, 1.198, 1.208, 1.218, 1.228, 1.238, 1.248,\n & 1.258, 1.268, 1.278, 1.287, 1.297, 1.306, 1.315, 1.325, 1.334,\n & 1.343, 1.352, 1.361, 1.370, 1.379, 1.387, 1.396, 1.405, 1.413,\n & 1.422, 1.430, 1.438, 1.447, 1.455, 1.463, 1.471, 1.479, 1.487,\n & 1.495, 1.503, 1.511, 1.519, 1.527, 1.534, 1.542, 1.550, 1.557,\n & 1.565, 1.572, 1.579, 1.587, 1.594, 1.601, 1.608, 1.616, 1.623,\n & 1.630, 1.637, 1.644, 1.651, 1.657, 1.664, 1.671, 1.678, 1.685,\n & 1.691, 1.698, 1.704, 1.711, 1.718, 1.724, 1.730, 1.737, 1.743,\n & 1.750, 1.756, 1.762, 1.768, 1.775, 1.781, 1.787, 1.793, 1.799,\n & 1.805, 1.811, 1.817, 1.823, 1.829, 1.835, 1.841, 1.846, 1.852,\n & 1.858, 1.864, 1.869, 1.875, 1.881, 1.886, 1.892, 1.897, 1.903,\n & 1.908, 1.914, 1.919, 1.925, 1.930, 1.936, 1.941, 1.946, 1.952,\n & 1.957, 1.962, 1.967, 1.972, 1.978, 1.983, 1.988, 1.993, 1.998,\n & 2.003, 2.008, 2.013\n & /\nC\nC *** (H,Cl)\nC\n DATA BNC11M/\n &-0.044,-0.089,-0.107,-0.118,-0.125,-0.130,-0.133,-0.135,-0.136,\n &-0.136,-0.136,-0.135,-0.134,-0.132,-0.130,-0.128,-0.125,-0.122,\n &-0.119,-0.116,-0.113,-0.109,-0.105,-0.102,-0.098,-0.094,-0.089,\n &-0.085,-0.081,-0.076,-0.072,-0.067,-0.062,-0.057,-0.053,-0.048,\n &-0.043,-0.038,-0.033,-0.028,-0.022,-0.017,-0.012,-0.007,-0.001,\n & 0.004, 0.009, 0.015, 0.020, 0.025, 0.031, 0.036, 0.042, 0.047,\n & 0.053, 0.058, 0.064, 0.069, 0.075, 0.081, 0.086, 0.092, 0.097,\n & 0.103, 0.109, 0.114, 0.120, 0.126, 0.132, 0.137, 0.143, 0.149,\n & 0.155, 0.161, 0.167, 0.172, 0.178, 0.184, 0.190, 0.196, 0.202,\n & 0.208, 0.214, 0.220, 0.227, 0.233, 0.239, 0.245, 0.251, 0.258,\n & 0.264, 0.270, 0.277, 0.283, 0.290, 0.296, 0.303, 0.309, 0.316,\n & 0.322, 0.329, 0.335, 0.342, 0.349, 0.355, 0.362, 0.369, 0.376,\n & 0.382, 0.389, 0.396, 0.403, 0.409, 0.416, 0.423, 0.430, 0.437,\n & 0.444, 0.450, 0.457, 0.464, 0.471, 0.478, 0.485, 0.491, 0.498,\n & 0.505, 0.512, 0.519, 0.526, 0.533, 0.539, 0.546, 0.553, 0.560,\n & 0.567, 0.573, 0.580, 0.587, 0.594, 0.601, 0.607, 0.614, 0.621,\n & 0.628, 0.634, 0.641, 0.648, 0.654, 0.661, 0.668, 0.675, 0.681,\n & 0.688, 0.694, 0.701, 0.708, 0.714, 0.721, 0.728, 0.734, 0.741,\n & 0.747, 0.754, 0.760, 0.767, 0.773, 0.780, 0.786, 0.793, 0.799,\n & 0.806, 0.812, 0.819, 0.825, 0.831, 0.838, 0.844, 0.850, 0.857,\n & 0.863, 0.870, 0.876, 0.882, 0.888, 0.895, 0.901, 0.907, 0.914,\n & 0.920, 0.926, 0.932, 0.938, 0.945, 0.951, 0.957, 0.963, 0.969,\n & 0.975, 0.981, 0.988, 0.994, 1.000, 1.006, 1.012, 1.018, 1.024,\n & 1.030, 1.036, 1.042, 1.048, 1.054, 1.060, 1.066, 1.072, 1.078,\n & 1.084, 1.090, 1.096, 1.101, 1.107, 1.113, 1.119, 1.125, 1.131,\n & 1.137, 1.142, 1.148, 1.154, 1.160, 1.165, 1.171, 1.177, 1.183,\n & 1.188, 1.194, 1.200, 1.205, 1.211, 1.217, 1.222, 1.228, 1.234,\n & 1.239, 1.245, 1.251, 1.256, 1.262, 1.267, 1.273, 1.278, 1.284,\n & 1.289, 1.295, 1.300, 1.306, 1.311, 1.317, 1.322, 1.328, 1.333,\n & 1.339, 1.344, 1.349, 1.355, 1.360, 1.366, 1.371, 1.376, 1.382,\n & 1.387, 1.392, 1.398, 1.403, 1.408, 1.413, 1.419, 1.424, 1.429,\n & 1.434, 1.440, 1.445, 1.450, 1.455, 1.460, 1.466, 1.471, 1.476,\n & 1.481, 1.486, 1.491, 1.497, 1.502, 1.507, 1.512, 1.517, 1.522,\n & 1.527, 1.532, 1.537, 1.542, 1.547, 1.552, 1.557, 1.562, 1.567,\n & 1.572, 1.577, 1.582, 1.587, 1.592, 1.597, 1.602, 1.607, 1.612,\n & 1.617, 1.622, 1.626, 1.631, 1.636, 1.641, 1.646, 1.651, 1.656,\n & 1.660, 1.665, 1.670, 1.675, 1.680, 1.684, 1.689, 1.694, 1.699,\n & 1.703, 1.708, 1.713, 1.718, 1.722, 1.727, 1.732, 1.736, 1.741,\n & 1.746, 1.750, 1.755, 1.760, 1.764, 1.769, 1.774, 1.778, 1.783,\n & 1.787, 1.792, 1.797, 1.801, 1.806, 1.810, 1.815, 1.819, 1.824,\n & 1.828, 1.833, 1.838, 1.842, 1.847, 1.851, 1.855, 1.860, 1.864,\n & 1.869, 1.873, 1.878, 1.882, 1.887, 1.891, 1.895, 1.900, 1.904,\n & 1.909, 1.913, 1.917, 1.922, 1.926, 1.931, 1.935, 1.939, 1.944,\n & 1.948, 1.952, 1.957, 1.961, 1.965, 1.969, 1.974, 1.978, 1.982,\n & 1.987, 1.991, 1.995, 1.999, 2.045, 2.086, 2.127, 2.167, 2.206,\n & 2.245, 2.284, 2.322, 2.359, 2.396, 2.432, 2.468, 2.503, 2.538,\n & 2.572, 2.606, 2.639, 2.672, 2.705, 2.737, 2.769, 2.800, 2.831,\n & 2.862, 2.892, 2.922, 2.952, 2.981, 3.010, 3.039, 3.067, 3.095,\n & 3.123, 3.150, 3.178, 3.204, 3.231, 3.257, 3.283, 3.309, 3.335,\n & 3.360, 3.385, 3.410, 3.435, 3.459, 3.483, 3.507, 3.531, 3.554,\n & 3.577, 3.600, 3.623, 3.646, 3.668, 3.691, 3.713, 3.735, 3.756,\n & 3.778, 3.799, 3.820, 3.841, 3.862, 3.883, 3.903, 3.924, 3.944,\n & 3.964, 3.984, 4.003, 4.023, 4.043, 4.062, 4.081, 4.100, 4.119,\n & 4.138, 4.156, 4.175, 4.193, 4.211, 4.229, 4.247, 4.265, 4.283,\n & 4.300, 4.318, 4.335, 4.352, 4.369, 4.386, 4.403, 4.420, 4.437,\n & 4.453, 4.470, 4.486, 4.503, 4.519, 4.535, 4.551, 4.567, 4.582,\n & 4.598, 4.614, 4.629, 4.644, 4.660, 4.675, 4.690, 4.705, 4.720,\n & 4.735, 4.750, 4.764, 4.779, 4.794, 4.808, 4.822, 4.837, 4.851,\n & 4.865, 4.879, 4.893, 4.907, 4.921, 4.935, 4.948, 4.962, 4.975,\n & 4.989, 5.002, 5.016, 5.029, 5.042, 5.055, 5.068, 5.081, 5.094,\n & 5.107, 5.120, 5.133, 5.145, 5.158, 5.171, 5.183, 5.196, 5.208,\n & 5.220, 5.233, 5.245, 5.257, 5.269, 5.281, 5.293, 5.305, 5.317,\n & 5.329, 5.340, 5.352\n & /\nC\nC *** NaHSO4\nC\n DATA BNC12M/\n &-0.045,-0.094,-0.116,-0.130,-0.140,-0.148,-0.155,-0.160,-0.164,\n &-0.168,-0.170,-0.173,-0.174,-0.176,-0.177,-0.178,-0.178,-0.179,\n &-0.179,-0.178,-0.178,-0.177,-0.177,-0.176,-0.175,-0.174,-0.172,\n &-0.171,-0.170,-0.168,-0.166,-0.164,-0.162,-0.160,-0.158,-0.156,\n &-0.154,-0.152,-0.149,-0.147,-0.144,-0.142,-0.139,-0.136,-0.134,\n &-0.131,-0.128,-0.125,-0.122,-0.119,-0.116,-0.113,-0.110,-0.107,\n &-0.103,-0.100,-0.097,-0.094,-0.090,-0.087,-0.084,-0.080,-0.077,\n &-0.073,-0.070,-0.066,-0.063,-0.059,-0.055,-0.052,-0.048,-0.044,\n &-0.040,-0.037,-0.033,-0.029,-0.025,-0.021,-0.017,-0.013,-0.010,\n &-0.006,-0.002, 0.003, 0.007, 0.011, 0.015, 0.019, 0.023, 0.027,\n & 0.032, 0.036, 0.040, 0.045, 0.049, 0.053, 0.058, 0.062, 0.066,\n & 0.071, 0.075, 0.080, 0.084, 0.089, 0.094, 0.098, 0.103, 0.107,\n & 0.112, 0.116, 0.121, 0.126, 0.130, 0.135, 0.140, 0.144, 0.149,\n & 0.154, 0.158, 0.163, 0.168, 0.172, 0.177, 0.182, 0.186, 0.191,\n & 0.196, 0.200, 0.205, 0.210, 0.215, 0.219, 0.224, 0.229, 0.233,\n & 0.238, 0.242, 0.247, 0.252, 0.256, 0.261, 0.266, 0.270, 0.275,\n & 0.279, 0.284, 0.289, 0.293, 0.298, 0.302, 0.307, 0.311, 0.316,\n & 0.320, 0.325, 0.329, 0.334, 0.338, 0.343, 0.347, 0.352, 0.356,\n & 0.361, 0.365, 0.370, 0.374, 0.379, 0.383, 0.387, 0.392, 0.396,\n & 0.400, 0.405, 0.409, 0.414, 0.418, 0.422, 0.427, 0.431, 0.435,\n & 0.440, 0.444, 0.448, 0.452, 0.457, 0.461, 0.465, 0.469, 0.474,\n & 0.478, 0.482, 0.486, 0.490, 0.495, 0.499, 0.503, 0.507, 0.511,\n & 0.515, 0.520, 0.524, 0.528, 0.532, 0.536, 0.540, 0.544, 0.548,\n & 0.552, 0.556, 0.561, 0.565, 0.569, 0.573, 0.577, 0.581, 0.585,\n & 0.589, 0.593, 0.597, 0.601, 0.605, 0.609, 0.613, 0.616, 0.620,\n & 0.624, 0.628, 0.632, 0.636, 0.640, 0.644, 0.648, 0.652, 0.655,\n & 0.659, 0.663, 0.667, 0.671, 0.675, 0.679, 0.682, 0.686, 0.690,\n & 0.694, 0.697, 0.701, 0.705, 0.709, 0.713, 0.716, 0.720, 0.724,\n & 0.728, 0.731, 0.735, 0.739, 0.742, 0.746, 0.750, 0.753, 0.757,\n & 0.761, 0.764, 0.768, 0.772, 0.775, 0.779, 0.783, 0.786, 0.790,\n & 0.793, 0.797, 0.801, 0.804, 0.808, 0.811, 0.815, 0.818, 0.822,\n & 0.825, 0.829, 0.833, 0.836, 0.840, 0.843, 0.847, 0.850, 0.854,\n & 0.857, 0.861, 0.864, 0.867, 0.871, 0.874, 0.878, 0.881, 0.885,\n & 0.888, 0.892, 0.895, 0.898, 0.902, 0.905, 0.909, 0.912, 0.915,\n & 0.919, 0.922, 0.925, 0.929, 0.932, 0.935, 0.939, 0.942, 0.945,\n & 0.949, 0.952, 0.955, 0.959, 0.962, 0.965, 0.969, 0.972, 0.975,\n & 0.978, 0.982, 0.985, 0.988, 0.991, 0.995, 0.998, 1.001, 1.004,\n & 1.008, 1.011, 1.014, 1.017, 1.020, 1.024, 1.027, 1.030, 1.033,\n & 1.036, 1.039, 1.043, 1.046, 1.049, 1.052, 1.055, 1.058, 1.061,\n & 1.065, 1.068, 1.071, 1.074, 1.077, 1.080, 1.083, 1.086, 1.089,\n & 1.092, 1.096, 1.099, 1.102, 1.105, 1.108, 1.111, 1.114, 1.117,\n & 1.120, 1.123, 1.126, 1.129, 1.132, 1.135, 1.138, 1.141, 1.144,\n & 1.147, 1.150, 1.153, 1.156, 1.159, 1.162, 1.165, 1.168, 1.171,\n & 1.174, 1.177, 1.180, 1.183, 1.185, 1.188, 1.191, 1.194, 1.197,\n & 1.200, 1.203, 1.206, 1.209, 1.240, 1.268, 1.296, 1.323, 1.350,\n & 1.377, 1.403, 1.429, 1.454, 1.480, 1.505, 1.529, 1.553, 1.577,\n & 1.601, 1.624, 1.647, 1.670, 1.692, 1.715, 1.737, 1.758, 1.780,\n & 1.801, 1.822, 1.843, 1.863, 1.883, 1.903, 1.923, 1.943, 1.962,\n & 1.981, 2.000, 2.019, 2.038, 2.056, 2.075, 2.093, 2.111, 2.128,\n & 2.146, 2.163, 2.181, 2.198, 2.215, 2.231, 2.248, 2.264, 2.281,\n & 2.297, 2.313, 2.329, 2.345, 2.360, 2.376, 2.391, 2.406, 2.422,\n & 2.437, 2.451, 2.466, 2.481, 2.495, 2.510, 2.524, 2.538, 2.552,\n & 2.566, 2.580, 2.594, 2.608, 2.621, 2.635, 2.648, 2.661, 2.674,\n & 2.687, 2.700, 2.713, 2.726, 2.739, 2.751, 2.764, 2.776, 2.789,\n & 2.801, 2.813, 2.825, 2.838, 2.850, 2.861, 2.873, 2.885, 2.897,\n & 2.908, 2.920, 2.931, 2.943, 2.954, 2.965, 2.976, 2.987, 2.998,\n & 3.009, 3.020, 3.031, 3.042, 3.053, 3.063, 3.074, 3.084, 3.095,\n & 3.105, 3.116, 3.126, 3.136, 3.146, 3.156, 3.166, 3.176, 3.186,\n & 3.196, 3.206, 3.216, 3.226, 3.235, 3.245, 3.255, 3.264, 3.274,\n & 3.283, 3.292, 3.302, 3.311, 3.320, 3.330, 3.339, 3.348, 3.357,\n & 3.366, 3.375, 3.384, 3.393, 3.402, 3.410, 3.419, 3.428, 3.437,\n & 3.445, 3.454, 3.462, 3.471, 3.479, 3.488, 3.496, 3.505, 3.513,\n & 3.521, 3.529, 3.538\n & /\nC\nC *** (NH4)3H(SO4)2\nC\n DATA BNC13M/\n &-0.074,-0.160,-0.203,-0.233,-0.256,-0.275,-0.291,-0.306,-0.318,\n &-0.329,-0.339,-0.349,-0.357,-0.365,-0.372,-0.379,-0.386,-0.392,\n &-0.397,-0.402,-0.407,-0.412,-0.417,-0.421,-0.425,-0.429,-0.433,\n &-0.436,-0.439,-0.443,-0.446,-0.448,-0.451,-0.454,-0.456,-0.459,\n &-0.461,-0.463,-0.466,-0.468,-0.470,-0.471,-0.473,-0.475,-0.477,\n &-0.478,-0.480,-0.481,-0.482,-0.484,-0.485,-0.486,-0.487,-0.488,\n &-0.489,-0.490,-0.491,-0.492,-0.493,-0.494,-0.495,-0.496,-0.496,\n &-0.497,-0.498,-0.498,-0.499,-0.499,-0.500,-0.500,-0.501,-0.501,\n &-0.501,-0.502,-0.502,-0.502,-0.503,-0.503,-0.503,-0.503,-0.503,\n &-0.504,-0.504,-0.504,-0.504,-0.504,-0.504,-0.504,-0.504,-0.504,\n &-0.504,-0.504,-0.504,-0.504,-0.504,-0.503,-0.503,-0.503,-0.503,\n &-0.503,-0.503,-0.502,-0.502,-0.502,-0.502,-0.501,-0.501,-0.501,\n &-0.501,-0.500,-0.500,-0.500,-0.499,-0.499,-0.498,-0.498,-0.498,\n &-0.497,-0.497,-0.497,-0.496,-0.496,-0.495,-0.495,-0.494,-0.494,\n &-0.494,-0.493,-0.493,-0.492,-0.492,-0.491,-0.491,-0.490,-0.490,\n &-0.489,-0.489,-0.488,-0.488,-0.487,-0.487,-0.486,-0.486,-0.485,\n &-0.485,-0.484,-0.484,-0.483,-0.483,-0.482,-0.482,-0.481,-0.481,\n &-0.480,-0.479,-0.479,-0.478,-0.478,-0.477,-0.477,-0.476,-0.476,\n &-0.475,-0.475,-0.474,-0.473,-0.473,-0.472,-0.472,-0.471,-0.471,\n &-0.470,-0.470,-0.469,-0.468,-0.468,-0.467,-0.467,-0.466,-0.466,\n &-0.465,-0.464,-0.464,-0.463,-0.463,-0.462,-0.462,-0.461,-0.461,\n &-0.460,-0.459,-0.459,-0.458,-0.458,-0.457,-0.457,-0.456,-0.455,\n &-0.455,-0.454,-0.454,-0.453,-0.453,-0.452,-0.451,-0.451,-0.450,\n &-0.450,-0.449,-0.449,-0.448,-0.447,-0.447,-0.446,-0.446,-0.445,\n &-0.445,-0.444,-0.443,-0.443,-0.442,-0.442,-0.441,-0.441,-0.440,\n &-0.440,-0.439,-0.438,-0.438,-0.437,-0.437,-0.436,-0.436,-0.435,\n &-0.434,-0.434,-0.433,-0.433,-0.432,-0.432,-0.431,-0.431,-0.430,\n &-0.429,-0.429,-0.428,-0.428,-0.427,-0.427,-0.426,-0.426,-0.425,\n &-0.424,-0.424,-0.423,-0.423,-0.422,-0.422,-0.421,-0.421,-0.420,\n &-0.419,-0.419,-0.418,-0.418,-0.417,-0.417,-0.416,-0.416,-0.415,\n &-0.415,-0.414,-0.413,-0.413,-0.412,-0.412,-0.411,-0.411,-0.410,\n &-0.410,-0.409,-0.409,-0.408,-0.408,-0.407,-0.406,-0.406,-0.405,\n &-0.405,-0.404,-0.404,-0.403,-0.403,-0.402,-0.402,-0.401,-0.401,\n &-0.400,-0.399,-0.399,-0.398,-0.398,-0.397,-0.397,-0.396,-0.396,\n &-0.395,-0.395,-0.394,-0.394,-0.393,-0.393,-0.392,-0.392,-0.391,\n &-0.391,-0.390,-0.390,-0.389,-0.388,-0.388,-0.387,-0.387,-0.386,\n &-0.386,-0.385,-0.385,-0.384,-0.384,-0.383,-0.383,-0.382,-0.382,\n &-0.381,-0.381,-0.380,-0.380,-0.379,-0.379,-0.378,-0.378,-0.377,\n &-0.377,-0.376,-0.376,-0.375,-0.375,-0.374,-0.374,-0.373,-0.373,\n &-0.372,-0.372,-0.371,-0.371,-0.370,-0.370,-0.369,-0.369,-0.368,\n &-0.368,-0.367,-0.367,-0.366,-0.366,-0.365,-0.365,-0.364,-0.364,\n &-0.363,-0.363,-0.362,-0.362,-0.361,-0.361,-0.360,-0.360,-0.359,\n &-0.359,-0.358,-0.358,-0.357,-0.357,-0.356,-0.356,-0.355,-0.355,\n &-0.354,-0.354,-0.353,-0.353,-0.352,-0.352,-0.352,-0.351,-0.351,\n &-0.350,-0.350,-0.349,-0.349,-0.344,-0.339,-0.334,-0.330,-0.325,\n &-0.321,-0.316,-0.312,-0.307,-0.303,-0.299,-0.295,-0.290,-0.286,\n &-0.282,-0.278,-0.274,-0.270,-0.266,-0.262,-0.258,-0.255,-0.251,\n &-0.247,-0.243,-0.240,-0.236,-0.232,-0.229,-0.225,-0.222,-0.218,\n &-0.215,-0.211,-0.208,-0.204,-0.201,-0.198,-0.194,-0.191,-0.188,\n &-0.185,-0.182,-0.178,-0.175,-0.172,-0.169,-0.166,-0.163,-0.160,\n &-0.157,-0.154,-0.151,-0.148,-0.145,-0.142,-0.139,-0.137,-0.134,\n &-0.131,-0.128,-0.125,-0.123,-0.120,-0.117,-0.115,-0.112,-0.109,\n &-0.107,-0.104,-0.101,-0.099,-0.096,-0.094,-0.091,-0.089,-0.086,\n &-0.084,-0.081,-0.079,-0.076,-0.074,-0.071,-0.069,-0.067,-0.064,\n &-0.062,-0.060,-0.057,-0.055,-0.053,-0.050,-0.048,-0.046,-0.043,\n &-0.041,-0.039,-0.037,-0.035,-0.032,-0.030,-0.028,-0.026,-0.024,\n &-0.022,-0.020,-0.017,-0.015,-0.013,-0.011,-0.009,-0.007,-0.005,\n &-0.003,-0.001, 0.001, 0.003, 0.005, 0.007, 0.009, 0.011, 0.013,\n & 0.015, 0.017, 0.019, 0.021, 0.022, 0.024, 0.026, 0.028, 0.030,\n & 0.032, 0.034, 0.036, 0.037, 0.039, 0.041, 0.043, 0.045, 0.046,\n & 0.048, 0.050, 0.052, 0.053, 0.055, 0.057, 0.059, 0.060, 0.062,\n & 0.064, 0.066, 0.067, 0.069, 0.071, 0.072, 0.074, 0.076, 0.077,\n & 0.079, 0.081, 0.082\n & /\nC\nC *** CASO4\nC\n DATA BNC14M/\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000\n & /\nC\nC *** CANO32\nC\n DATA BNC15M/\n &-0.092,-0.196,-0.245,-0.279,-0.304,-0.325,-0.342,-0.356,-0.368,\n &-0.379,-0.389,-0.397,-0.405,-0.412,-0.418,-0.424,-0.429,-0.433,\n &-0.438,-0.442,-0.445,-0.448,-0.452,-0.454,-0.457,-0.459,-0.462,\n &-0.464,-0.466,-0.467,-0.469,-0.470,-0.472,-0.473,-0.474,-0.475,\n &-0.476,-0.477,-0.478,-0.479,-0.480,-0.480,-0.481,-0.482,-0.482,\n &-0.483,-0.483,-0.483,-0.484,-0.484,-0.484,-0.484,-0.485,-0.485,\n &-0.485,-0.485,-0.485,-0.485,-0.485,-0.485,-0.485,-0.485,-0.485,\n &-0.485,-0.485,-0.484,-0.484,-0.484,-0.484,-0.484,-0.483,-0.483,\n &-0.483,-0.482,-0.482,-0.482,-0.481,-0.481,-0.480,-0.480,-0.479,\n &-0.479,-0.478,-0.478,-0.477,-0.477,-0.476,-0.475,-0.475,-0.474,\n &-0.474,-0.473,-0.472,-0.471,-0.471,-0.470,-0.469,-0.468,-0.467,\n &-0.467,-0.466,-0.465,-0.464,-0.463,-0.462,-0.461,-0.460,-0.459,\n &-0.459,-0.458,-0.457,-0.456,-0.455,-0.454,-0.453,-0.452,-0.451,\n &-0.450,-0.448,-0.447,-0.446,-0.445,-0.444,-0.443,-0.442,-0.441,\n &-0.440,-0.439,-0.438,-0.437,-0.436,-0.434,-0.433,-0.432,-0.431,\n &-0.430,-0.429,-0.428,-0.427,-0.425,-0.424,-0.423,-0.422,-0.421,\n &-0.420,-0.419,-0.417,-0.416,-0.415,-0.414,-0.413,-0.412,-0.411,\n &-0.409,-0.408,-0.407,-0.406,-0.405,-0.404,-0.402,-0.401,-0.400,\n &-0.399,-0.398,-0.397,-0.395,-0.394,-0.393,-0.392,-0.391,-0.390,\n &-0.388,-0.387,-0.386,-0.385,-0.384,-0.383,-0.381,-0.380,-0.379,\n &-0.378,-0.377,-0.376,-0.374,-0.373,-0.372,-0.371,-0.370,-0.369,\n &-0.367,-0.366,-0.365,-0.364,-0.363,-0.361,-0.360,-0.359,-0.358,\n &-0.357,-0.356,-0.354,-0.353,-0.352,-0.351,-0.350,-0.349,-0.347,\n &-0.346,-0.345,-0.344,-0.343,-0.342,-0.341,-0.339,-0.338,-0.337,\n &-0.336,-0.335,-0.334,-0.332,-0.331,-0.330,-0.329,-0.328,-0.327,\n &-0.325,-0.324,-0.323,-0.322,-0.321,-0.320,-0.319,-0.317,-0.316,\n &-0.315,-0.314,-0.313,-0.312,-0.311,-0.309,-0.308,-0.307,-0.306,\n &-0.305,-0.304,-0.303,-0.301,-0.300,-0.299,-0.298,-0.297,-0.296,\n &-0.295,-0.294,-0.292,-0.291,-0.290,-0.289,-0.288,-0.287,-0.286,\n &-0.285,-0.283,-0.282,-0.281,-0.280,-0.279,-0.278,-0.277,-0.276,\n &-0.275,-0.273,-0.272,-0.271,-0.270,-0.269,-0.268,-0.267,-0.266,\n &-0.265,-0.263,-0.262,-0.261,-0.260,-0.259,-0.258,-0.257,-0.256,\n &-0.255,-0.254,-0.253,-0.251,-0.250,-0.249,-0.248,-0.247,-0.246,\n &-0.245,-0.244,-0.243,-0.242,-0.241,-0.240,-0.238,-0.237,-0.236,\n &-0.235,-0.234,-0.233,-0.232,-0.231,-0.230,-0.229,-0.228,-0.227,\n &-0.226,-0.225,-0.224,-0.222,-0.221,-0.220,-0.219,-0.218,-0.217,\n &-0.216,-0.215,-0.214,-0.213,-0.212,-0.211,-0.210,-0.209,-0.208,\n &-0.207,-0.206,-0.205,-0.204,-0.203,-0.202,-0.201,-0.200,-0.198,\n &-0.197,-0.196,-0.195,-0.194,-0.193,-0.192,-0.191,-0.190,-0.189,\n &-0.188,-0.187,-0.186,-0.185,-0.184,-0.183,-0.182,-0.181,-0.180,\n &-0.179,-0.178,-0.177,-0.176,-0.175,-0.174,-0.173,-0.172,-0.171,\n &-0.170,-0.169,-0.168,-0.167,-0.166,-0.165,-0.164,-0.163,-0.162,\n &-0.161,-0.160,-0.159,-0.158,-0.157,-0.156,-0.155,-0.154,-0.153,\n &-0.152,-0.151,-0.150,-0.149,-0.148,-0.147,-0.146,-0.145,-0.144,\n &-0.143,-0.142,-0.141,-0.140,-0.130,-0.121,-0.111,-0.102,-0.093,\n &-0.083,-0.074,-0.066,-0.057,-0.048,-0.039,-0.031,-0.022,-0.014,\n &-0.006, 0.003, 0.011, 0.019, 0.027, 0.035, 0.043, 0.050, 0.058,\n & 0.066, 0.073, 0.081, 0.088, 0.095, 0.103, 0.110, 0.117, 0.124,\n & 0.131, 0.138, 0.145, 0.152, 0.159, 0.165, 0.172, 0.179, 0.185,\n & 0.192, 0.198, 0.205, 0.211, 0.217, 0.223, 0.230, 0.236, 0.242,\n & 0.248, 0.254, 0.260, 0.266, 0.272, 0.278, 0.283, 0.289, 0.295,\n & 0.301, 0.306, 0.312, 0.317, 0.323, 0.328, 0.334, 0.339, 0.345,\n & 0.350, 0.355, 0.360, 0.366, 0.371, 0.376, 0.381, 0.386, 0.391,\n & 0.396, 0.401, 0.406, 0.411, 0.416, 0.421, 0.426, 0.431, 0.435,\n & 0.440, 0.445, 0.449, 0.454, 0.459, 0.463, 0.468, 0.472, 0.477,\n & 0.482, 0.486, 0.490, 0.495, 0.499, 0.504, 0.508, 0.512, 0.517,\n & 0.521, 0.525, 0.529, 0.534, 0.538, 0.542, 0.546, 0.550, 0.554,\n & 0.559, 0.563, 0.567, 0.571, 0.575, 0.579, 0.583, 0.587, 0.590,\n & 0.594, 0.598, 0.602, 0.606, 0.610, 0.614, 0.617, 0.621, 0.625,\n & 0.629, 0.632, 0.636, 0.640, 0.643, 0.647, 0.651, 0.654, 0.658,\n & 0.661, 0.665, 0.669, 0.672, 0.676, 0.679, 0.683, 0.686, 0.690,\n & 0.693, 0.696, 0.700, 0.703, 0.707, 0.710, 0.713, 0.717, 0.720,\n & 0.723, 0.727, 0.730\n & /\nC\nC *** CACL2\nC\n DATA BNC16M/\n &-0.091,-0.188,-0.233,-0.261,-0.282,-0.298,-0.310,-0.320,-0.328,\n &-0.335,-0.340,-0.345,-0.348,-0.351,-0.353,-0.355,-0.356,-0.356,\n &-0.357,-0.357,-0.356,-0.356,-0.355,-0.354,-0.353,-0.351,-0.350,\n &-0.348,-0.346,-0.344,-0.342,-0.340,-0.337,-0.335,-0.333,-0.330,\n &-0.327,-0.325,-0.322,-0.319,-0.316,-0.314,-0.311,-0.308,-0.305,\n &-0.302,-0.299,-0.296,-0.293,-0.290,-0.287,-0.283,-0.280,-0.277,\n &-0.274,-0.271,-0.268,-0.264,-0.261,-0.258,-0.255,-0.252,-0.248,\n &-0.245,-0.242,-0.238,-0.235,-0.232,-0.228,-0.225,-0.222,-0.218,\n &-0.215,-0.211,-0.208,-0.204,-0.201,-0.197,-0.194,-0.190,-0.187,\n &-0.183,-0.179,-0.176,-0.172,-0.168,-0.164,-0.161,-0.157,-0.153,\n &-0.149,-0.145,-0.141,-0.137,-0.133,-0.129,-0.125,-0.121,-0.117,\n &-0.113,-0.109,-0.105,-0.101,-0.096,-0.092,-0.088,-0.084,-0.080,\n &-0.075,-0.071,-0.067,-0.062,-0.058,-0.054,-0.049,-0.045,-0.041,\n &-0.036,-0.032,-0.027,-0.023,-0.019,-0.014,-0.010,-0.005,-0.001,\n & 0.003, 0.008, 0.012, 0.017, 0.021, 0.026, 0.030, 0.034, 0.039,\n & 0.043, 0.048, 0.052, 0.057, 0.061, 0.065, 0.070, 0.074, 0.079,\n & 0.083, 0.087, 0.092, 0.096, 0.101, 0.105, 0.109, 0.114, 0.118,\n & 0.123, 0.127, 0.131, 0.136, 0.140, 0.144, 0.149, 0.153, 0.157,\n & 0.162, 0.166, 0.170, 0.175, 0.179, 0.183, 0.188, 0.192, 0.196,\n & 0.201, 0.205, 0.209, 0.214, 0.218, 0.222, 0.226, 0.231, 0.235,\n & 0.239, 0.243, 0.248, 0.252, 0.256, 0.260, 0.265, 0.269, 0.273,\n & 0.277, 0.281, 0.286, 0.290, 0.294, 0.298, 0.302, 0.306, 0.311,\n & 0.315, 0.319, 0.323, 0.327, 0.331, 0.336, 0.340, 0.344, 0.348,\n & 0.352, 0.356, 0.360, 0.364, 0.368, 0.372, 0.377, 0.381, 0.385,\n & 0.389, 0.393, 0.397, 0.401, 0.405, 0.409, 0.413, 0.417, 0.421,\n & 0.425, 0.429, 0.433, 0.437, 0.441, 0.445, 0.449, 0.453, 0.457,\n & 0.461, 0.465, 0.469, 0.473, 0.477, 0.481, 0.485, 0.488, 0.492,\n & 0.496, 0.500, 0.504, 0.508, 0.512, 0.516, 0.520, 0.524, 0.527,\n & 0.531, 0.535, 0.539, 0.543, 0.547, 0.550, 0.554, 0.558, 0.562,\n & 0.566, 0.570, 0.573, 0.577, 0.581, 0.585, 0.588, 0.592, 0.596,\n & 0.600, 0.604, 0.607, 0.611, 0.615, 0.618, 0.622, 0.626, 0.630,\n & 0.633, 0.637, 0.641, 0.644, 0.648, 0.652, 0.656, 0.659, 0.663,\n & 0.667, 0.670, 0.674, 0.677, 0.681, 0.685, 0.688, 0.692, 0.696,\n & 0.699, 0.703, 0.706, 0.710, 0.714, 0.717, 0.721, 0.724, 0.728,\n & 0.732, 0.735, 0.739, 0.742, 0.746, 0.749, 0.753, 0.756, 0.760,\n & 0.763, 0.767, 0.770, 0.774, 0.777, 0.781, 0.784, 0.788, 0.791,\n & 0.795, 0.798, 0.802, 0.805, 0.809, 0.812, 0.816, 0.819, 0.823,\n & 0.826, 0.829, 0.833, 0.836, 0.840, 0.843, 0.846, 0.850, 0.853,\n & 0.857, 0.860, 0.863, 0.867, 0.870, 0.873, 0.877, 0.880, 0.884,\n & 0.887, 0.890, 0.894, 0.897, 0.900, 0.904, 0.907, 0.910, 0.913,\n & 0.917, 0.920, 0.923, 0.927, 0.930, 0.933, 0.936, 0.940, 0.943,\n & 0.946, 0.950, 0.953, 0.956, 0.959, 0.963, 0.966, 0.969, 0.972,\n & 0.975, 0.979, 0.982, 0.985, 0.988, 0.991, 0.995, 0.998, 1.001,\n & 1.004, 1.007, 1.011, 1.014, 1.017, 1.020, 1.023, 1.026, 1.029,\n & 1.033, 1.036, 1.039, 1.042, 1.076, 1.106, 1.136, 1.166, 1.195,\n & 1.224, 1.253, 1.281, 1.309, 1.337, 1.364, 1.391, 1.417, 1.444,\n & 1.470, 1.495, 1.521, 1.546, 1.570, 1.595, 1.619, 1.643, 1.667,\n & 1.690, 1.713, 1.736, 1.759, 1.781, 1.803, 1.825, 1.847, 1.868,\n & 1.890, 1.911, 1.932, 1.952, 1.973, 1.993, 2.013, 2.033, 2.053,\n & 2.072, 2.092, 2.111, 2.130, 2.149, 2.167, 2.186, 2.204, 2.222,\n & 2.240, 2.258, 2.276, 2.293, 2.311, 2.328, 2.345, 2.362, 2.379,\n & 2.396, 2.412, 2.429, 2.445, 2.461, 2.478, 2.493, 2.509, 2.525,\n & 2.541, 2.556, 2.572, 2.587, 2.602, 2.617, 2.632, 2.647, 2.661,\n & 2.676, 2.691, 2.705, 2.719, 2.734, 2.748, 2.762, 2.776, 2.789,\n & 2.803, 2.817, 2.830, 2.844, 2.857, 2.871, 2.884, 2.897, 2.910,\n & 2.923, 2.936, 2.949, 2.961, 2.974, 2.987, 2.999, 3.012, 3.024,\n & 3.036, 3.048, 3.061, 3.073, 3.085, 3.097, 3.108, 3.120, 3.132,\n & 3.144, 3.155, 3.167, 3.178, 3.190, 3.201, 3.212, 3.224, 3.235,\n & 3.246, 3.257, 3.268, 3.279, 3.290, 3.300, 3.311, 3.322, 3.333,\n & 3.343, 3.354, 3.364, 3.375, 3.385, 3.395, 3.406, 3.416, 3.426,\n & 3.436, 3.446, 3.456, 3.466, 3.476, 3.486, 3.496, 3.506, 3.515,\n & 3.525, 3.535, 3.544, 3.554, 3.563, 3.573, 3.582, 3.592, 3.601,\n & 3.610, 3.620, 3.629\n & /\nC\nC *** K2SO4\nC\n DATA BNC17M/\n &-0.093,-0.203,-0.257,-0.296,-0.326,-0.351,-0.372,-0.391,-0.408,\n &-0.423,-0.436,-0.449,-0.460,-0.471,-0.481,-0.491,-0.500,-0.508,\n &-0.516,-0.524,-0.531,-0.538,-0.545,-0.552,-0.558,-0.564,-0.569,\n &-0.575,-0.580,-0.585,-0.590,-0.595,-0.600,-0.605,-0.609,-0.613,\n &-0.618,-0.622,-0.626,-0.629,-0.633,-0.637,-0.641,-0.644,-0.648,\n &-0.651,-0.654,-0.658,-0.661,-0.664,-0.667,-0.670,-0.673,-0.676,\n &-0.678,-0.681,-0.684,-0.687,-0.689,-0.692,-0.694,-0.697,-0.699,\n &-0.702,-0.704,-0.707,-0.709,-0.711,-0.713,-0.716,-0.718,-0.720,\n &-0.722,-0.724,-0.726,-0.728,-0.730,-0.732,-0.734,-0.736,-0.738,\n &-0.740,-0.742,-0.744,-0.746,-0.748,-0.749,-0.751,-0.753,-0.755,\n &-0.756,-0.758,-0.760,-0.762,-0.763,-0.765,-0.767,-0.768,-0.770,\n &-0.772,-0.773,-0.775,-0.776,-0.778,-0.779,-0.781,-0.782,-0.784,\n &-0.786,-0.787,-0.788,-0.790,-0.791,-0.793,-0.794,-0.796,-0.797,\n &-0.799,-0.800,-0.801,-0.803,-0.804,-0.805,-0.807,-0.808,-0.809,\n &-0.811,-0.812,-0.813,-0.815,-0.816,-0.817,-0.819,-0.820,-0.821,\n &-0.822,-0.824,-0.825,-0.826,-0.827,-0.828,-0.830,-0.831,-0.832,\n &-0.833,-0.834,-0.835,-0.837,-0.838,-0.839,-0.840,-0.841,-0.842,\n &-0.843,-0.844,-0.846,-0.847,-0.848,-0.849,-0.850,-0.851,-0.852,\n &-0.853,-0.854,-0.855,-0.856,-0.857,-0.858,-0.859,-0.860,-0.861,\n &-0.862,-0.863,-0.864,-0.865,-0.866,-0.867,-0.868,-0.869,-0.870,\n &-0.871,-0.872,-0.873,-0.874,-0.875,-0.876,-0.877,-0.878,-0.878,\n &-0.879,-0.880,-0.881,-0.882,-0.883,-0.884,-0.885,-0.886,-0.886,\n &-0.887,-0.888,-0.889,-0.890,-0.891,-0.892,-0.893,-0.893,-0.894,\n &-0.895,-0.896,-0.897,-0.898,-0.898,-0.899,-0.900,-0.901,-0.902,\n &-0.902,-0.903,-0.904,-0.905,-0.906,-0.906,-0.907,-0.908,-0.909,\n &-0.910,-0.910,-0.911,-0.912,-0.913,-0.913,-0.914,-0.915,-0.916,\n &-0.916,-0.917,-0.918,-0.919,-0.919,-0.920,-0.921,-0.922,-0.922,\n &-0.923,-0.924,-0.924,-0.925,-0.926,-0.927,-0.927,-0.928,-0.929,\n &-0.929,-0.930,-0.931,-0.931,-0.932,-0.933,-0.933,-0.934,-0.935,\n &-0.936,-0.936,-0.937,-0.938,-0.938,-0.939,-0.940,-0.940,-0.941,\n &-0.941,-0.942,-0.943,-0.943,-0.944,-0.945,-0.945,-0.946,-0.947,\n &-0.947,-0.948,-0.949,-0.949,-0.950,-0.950,-0.951,-0.952,-0.952,\n &-0.953,-0.954,-0.954,-0.955,-0.955,-0.956,-0.957,-0.957,-0.958,\n &-0.958,-0.959,-0.960,-0.960,-0.961,-0.961,-0.962,-0.962,-0.963,\n &-0.964,-0.964,-0.965,-0.965,-0.966,-0.967,-0.967,-0.968,-0.968,\n &-0.969,-0.969,-0.970,-0.970,-0.971,-0.972,-0.972,-0.973,-0.973,\n &-0.974,-0.974,-0.975,-0.975,-0.976,-0.977,-0.977,-0.978,-0.978,\n &-0.979,-0.979,-0.980,-0.980,-0.981,-0.981,-0.982,-0.982,-0.983,\n &-0.983,-0.984,-0.984,-0.985,-0.986,-0.986,-0.987,-0.987,-0.988,\n &-0.988,-0.989,-0.989,-0.990,-0.990,-0.991,-0.991,-0.992,-0.992,\n &-0.993,-0.993,-0.994,-0.994,-0.995,-0.995,-0.996,-0.996,-0.997,\n &-0.997,-0.998,-0.998,-0.998,-0.999,-0.999,-1.000,-1.000,-1.001,\n &-1.001,-1.002,-1.002,-1.003,-1.003,-1.004,-1.004,-1.005,-1.005,\n &-1.006,-1.006,-1.006,-1.007,-1.007,-1.008,-1.008,-1.009,-1.009,\n &-1.010,-1.010,-1.011,-1.011,-1.016,-1.020,-1.024,-1.029,-1.033,\n &-1.037,-1.040,-1.044,-1.048,-1.052,-1.055,-1.059,-1.062,-1.065,\n &-1.069,-1.072,-1.075,-1.078,-1.081,-1.084,-1.087,-1.090,-1.093,\n &-1.096,-1.099,-1.102,-1.104,-1.107,-1.110,-1.112,-1.115,-1.117,\n &-1.120,-1.122,-1.125,-1.127,-1.129,-1.132,-1.134,-1.136,-1.139,\n &-1.141,-1.143,-1.145,-1.147,-1.149,-1.151,-1.153,-1.155,-1.157,\n &-1.159,-1.161,-1.163,-1.165,-1.167,-1.169,-1.171,-1.173,-1.174,\n &-1.176,-1.178,-1.180,-1.181,-1.183,-1.185,-1.187,-1.188,-1.190,\n &-1.191,-1.193,-1.195,-1.196,-1.198,-1.199,-1.201,-1.202,-1.204,\n &-1.205,-1.207,-1.208,-1.210,-1.211,-1.213,-1.214,-1.216,-1.217,\n &-1.218,-1.220,-1.221,-1.223,-1.224,-1.225,-1.226,-1.228,-1.229,\n &-1.230,-1.232,-1.233,-1.234,-1.235,-1.237,-1.238,-1.239,-1.240,\n &-1.242,-1.243,-1.244,-1.245,-1.246,-1.247,-1.249,-1.250,-1.251,\n &-1.252,-1.253,-1.254,-1.255,-1.256,-1.258,-1.259,-1.260,-1.261,\n &-1.262,-1.263,-1.264,-1.265,-1.266,-1.267,-1.268,-1.269,-1.270,\n &-1.271,-1.272,-1.273,-1.274,-1.275,-1.276,-1.277,-1.278,-1.279,\n &-1.280,-1.281,-1.282,-1.283,-1.283,-1.284,-1.285,-1.286,-1.287,\n &-1.288,-1.289,-1.290,-1.291,-1.292,-1.292,-1.293,-1.294,-1.295,\n &-1.296,-1.297,-1.298\n & /\nC\nC *** KHSO4\nC\n DATA BNC18M/\n &-0.046,-0.097,-0.121,-0.138,-0.150,-0.161,-0.169,-0.176,-0.182,\n &-0.188,-0.192,-0.196,-0.200,-0.203,-0.206,-0.209,-0.211,-0.213,\n &-0.215,-0.217,-0.218,-0.219,-0.220,-0.221,-0.222,-0.223,-0.223,\n &-0.223,-0.223,-0.224,-0.223,-0.223,-0.223,-0.223,-0.222,-0.222,\n &-0.221,-0.220,-0.220,-0.219,-0.218,-0.217,-0.216,-0.215,-0.213,\n &-0.212,-0.211,-0.209,-0.208,-0.206,-0.205,-0.203,-0.202,-0.200,\n &-0.198,-0.196,-0.195,-0.193,-0.191,-0.189,-0.187,-0.185,-0.183,\n &-0.181,-0.179,-0.177,-0.174,-0.172,-0.170,-0.168,-0.165,-0.163,\n &-0.161,-0.158,-0.156,-0.153,-0.151,-0.148,-0.146,-0.143,-0.141,\n &-0.138,-0.136,-0.133,-0.130,-0.127,-0.125,-0.122,-0.119,-0.116,\n &-0.114,-0.111,-0.108,-0.105,-0.102,-0.099,-0.096,-0.093,-0.090,\n &-0.087,-0.084,-0.081,-0.078,-0.075,-0.072,-0.069,-0.066,-0.063,\n &-0.060,-0.056,-0.053,-0.050,-0.047,-0.044,-0.041,-0.037,-0.034,\n &-0.031,-0.028,-0.025,-0.021,-0.018,-0.015,-0.012,-0.009,-0.005,\n &-0.002, 0.001, 0.004, 0.007, 0.011, 0.014, 0.017, 0.020, 0.023,\n & 0.027, 0.030, 0.033, 0.036, 0.039, 0.043, 0.046, 0.049, 0.052,\n & 0.055, 0.058, 0.061, 0.065, 0.068, 0.071, 0.074, 0.077, 0.080,\n & 0.083, 0.086, 0.089, 0.093, 0.096, 0.099, 0.102, 0.105, 0.108,\n & 0.111, 0.114, 0.117, 0.120, 0.123, 0.126, 0.129, 0.132, 0.135,\n & 0.138, 0.141, 0.144, 0.147, 0.150, 0.153, 0.156, 0.159, 0.162,\n & 0.165, 0.168, 0.171, 0.174, 0.176, 0.179, 0.182, 0.185, 0.188,\n & 0.191, 0.194, 0.197, 0.199, 0.202, 0.205, 0.208, 0.211, 0.214,\n & 0.217, 0.219, 0.222, 0.225, 0.228, 0.231, 0.233, 0.236, 0.239,\n & 0.242, 0.244, 0.247, 0.250, 0.253, 0.255, 0.258, 0.261, 0.264,\n & 0.266, 0.269, 0.272, 0.274, 0.277, 0.280, 0.282, 0.285, 0.288,\n & 0.290, 0.293, 0.296, 0.298, 0.301, 0.304, 0.306, 0.309, 0.312,\n & 0.314, 0.317, 0.319, 0.322, 0.325, 0.327, 0.330, 0.332, 0.335,\n & 0.337, 0.340, 0.343, 0.345, 0.348, 0.350, 0.353, 0.355, 0.358,\n & 0.360, 0.363, 0.365, 0.368, 0.370, 0.373, 0.375, 0.378, 0.380,\n & 0.383, 0.385, 0.388, 0.390, 0.393, 0.395, 0.397, 0.400, 0.402,\n & 0.405, 0.407, 0.410, 0.412, 0.414, 0.417, 0.419, 0.422, 0.424,\n & 0.426, 0.429, 0.431, 0.434, 0.436, 0.438, 0.441, 0.443, 0.445,\n & 0.448, 0.450, 0.452, 0.455, 0.457, 0.459, 0.462, 0.464, 0.466,\n & 0.469, 0.471, 0.473, 0.475, 0.478, 0.480, 0.482, 0.485, 0.487,\n & 0.489, 0.491, 0.494, 0.496, 0.498, 0.500, 0.503, 0.505, 0.507,\n & 0.509, 0.512, 0.514, 0.516, 0.518, 0.520, 0.523, 0.525, 0.527,\n & 0.529, 0.531, 0.534, 0.536, 0.538, 0.540, 0.542, 0.544, 0.547,\n & 0.549, 0.551, 0.553, 0.555, 0.557, 0.560, 0.562, 0.564, 0.566,\n & 0.568, 0.570, 0.572, 0.574, 0.577, 0.579, 0.581, 0.583, 0.585,\n & 0.587, 0.589, 0.591, 0.593, 0.595, 0.597, 0.600, 0.602, 0.604,\n & 0.606, 0.608, 0.610, 0.612, 0.614, 0.616, 0.618, 0.620, 0.622,\n & 0.624, 0.626, 0.628, 0.630, 0.632, 0.634, 0.636, 0.638, 0.640,\n & 0.642, 0.644, 0.646, 0.648, 0.650, 0.652, 0.654, 0.656, 0.658,\n & 0.660, 0.662, 0.664, 0.666, 0.668, 0.670, 0.672, 0.674, 0.676,\n & 0.678, 0.680, 0.682, 0.684, 0.704, 0.723, 0.742, 0.760, 0.778,\n & 0.796, 0.813, 0.831, 0.848, 0.865, 0.881, 0.898, 0.914, 0.930,\n & 0.946, 0.961, 0.977, 0.992, 1.007, 1.022, 1.036, 1.051, 1.065,\n & 1.079, 1.093, 1.107, 1.121, 1.134, 1.148, 1.161, 1.174, 1.187,\n & 1.200, 1.213, 1.225, 1.238, 1.250, 1.262, 1.275, 1.287, 1.298,\n & 1.310, 1.322, 1.333, 1.345, 1.356, 1.367, 1.379, 1.390, 1.401,\n & 1.411, 1.422, 1.433, 1.443, 1.454, 1.464, 1.475, 1.485, 1.495,\n & 1.505, 1.515, 1.525, 1.535, 1.545, 1.554, 1.564, 1.573, 1.583,\n & 1.592, 1.602, 1.611, 1.620, 1.629, 1.638, 1.647, 1.656, 1.665,\n & 1.674, 1.682, 1.691, 1.700, 1.708, 1.717, 1.725, 1.734, 1.742,\n & 1.750, 1.758, 1.767, 1.775, 1.783, 1.791, 1.799, 1.807, 1.815,\n & 1.822, 1.830, 1.838, 1.845, 1.853, 1.861, 1.868, 1.876, 1.883,\n & 1.891, 1.898, 1.905, 1.912, 1.920, 1.927, 1.934, 1.941, 1.948,\n & 1.955, 1.962, 1.969, 1.976, 1.983, 1.990, 1.997, 2.003, 2.010,\n & 2.017, 2.023, 2.030, 2.037, 2.043, 2.050, 2.056, 2.063, 2.069,\n & 2.075, 2.082, 2.088, 2.094, 2.101, 2.107, 2.113, 2.119, 2.125,\n & 2.131, 2.137, 2.143, 2.149, 2.155, 2.161, 2.167, 2.173, 2.179,\n & 2.185, 2.191, 2.197, 2.202, 2.208, 2.214, 2.219, 2.225, 2.231,\n & 2.236, 2.242, 2.248\n & /\nC\nC *** KNO3\nC\n DATA BNC19M/\n &-0.048,-0.109,-0.141,-0.166,-0.186,-0.204,-0.219,-0.233,-0.246,\n &-0.258,-0.270,-0.281,-0.291,-0.301,-0.310,-0.319,-0.328,-0.336,\n &-0.344,-0.352,-0.360,-0.367,-0.375,-0.382,-0.389,-0.395,-0.402,\n &-0.409,-0.415,-0.421,-0.427,-0.433,-0.439,-0.445,-0.451,-0.456,\n &-0.462,-0.467,-0.472,-0.477,-0.483,-0.488,-0.492,-0.497,-0.502,\n &-0.507,-0.511,-0.516,-0.521,-0.525,-0.529,-0.534,-0.538,-0.542,\n &-0.546,-0.550,-0.554,-0.558,-0.562,-0.566,-0.570,-0.574,-0.578,\n &-0.581,-0.585,-0.589,-0.592,-0.596,-0.600,-0.603,-0.607,-0.610,\n &-0.613,-0.617,-0.620,-0.624,-0.627,-0.630,-0.634,-0.637,-0.640,\n &-0.643,-0.647,-0.650,-0.653,-0.656,-0.660,-0.663,-0.666,-0.669,\n &-0.672,-0.675,-0.678,-0.682,-0.685,-0.688,-0.691,-0.694,-0.697,\n &-0.700,-0.703,-0.706,-0.709,-0.712,-0.715,-0.718,-0.721,-0.724,\n &-0.727,-0.730,-0.733,-0.736,-0.739,-0.741,-0.744,-0.747,-0.750,\n &-0.753,-0.756,-0.758,-0.761,-0.764,-0.767,-0.770,-0.772,-0.775,\n &-0.778,-0.780,-0.783,-0.786,-0.789,-0.791,-0.794,-0.796,-0.799,\n &-0.802,-0.804,-0.807,-0.809,-0.812,-0.814,-0.817,-0.819,-0.822,\n &-0.824,-0.827,-0.829,-0.832,-0.834,-0.837,-0.839,-0.841,-0.844,\n &-0.846,-0.848,-0.851,-0.853,-0.855,-0.858,-0.860,-0.862,-0.865,\n &-0.867,-0.869,-0.871,-0.873,-0.876,-0.878,-0.880,-0.882,-0.884,\n &-0.887,-0.889,-0.891,-0.893,-0.895,-0.897,-0.899,-0.901,-0.903,\n &-0.905,-0.908,-0.910,-0.912,-0.914,-0.916,-0.918,-0.920,-0.922,\n &-0.924,-0.925,-0.927,-0.929,-0.931,-0.933,-0.935,-0.937,-0.939,\n &-0.941,-0.943,-0.945,-0.946,-0.948,-0.950,-0.952,-0.954,-0.956,\n &-0.957,-0.959,-0.961,-0.963,-0.965,-0.966,-0.968,-0.970,-0.972,\n &-0.973,-0.975,-0.977,-0.978,-0.980,-0.982,-0.984,-0.985,-0.987,\n &-0.989,-0.990,-0.992,-0.993,-0.995,-0.997,-0.998,-1.000,-1.002,\n &-1.003,-1.005,-1.006,-1.008,-1.009,-1.011,-1.013,-1.014,-1.016,\n &-1.017,-1.019,-1.020,-1.022,-1.023,-1.025,-1.026,-1.028,-1.029,\n &-1.031,-1.032,-1.034,-1.035,-1.036,-1.038,-1.039,-1.041,-1.042,\n &-1.044,-1.045,-1.046,-1.048,-1.049,-1.051,-1.052,-1.053,-1.055,\n &-1.056,-1.057,-1.059,-1.060,-1.061,-1.063,-1.064,-1.065,-1.067,\n &-1.068,-1.069,-1.071,-1.072,-1.073,-1.074,-1.076,-1.077,-1.078,\n &-1.079,-1.081,-1.082,-1.083,-1.084,-1.086,-1.087,-1.088,-1.089,\n &-1.090,-1.092,-1.093,-1.094,-1.095,-1.096,-1.098,-1.099,-1.100,\n &-1.101,-1.102,-1.103,-1.105,-1.106,-1.107,-1.108,-1.109,-1.110,\n &-1.111,-1.112,-1.114,-1.115,-1.116,-1.117,-1.118,-1.119,-1.120,\n &-1.121,-1.122,-1.123,-1.124,-1.125,-1.127,-1.128,-1.129,-1.130,\n &-1.131,-1.132,-1.133,-1.134,-1.135,-1.136,-1.137,-1.138,-1.139,\n &-1.140,-1.141,-1.142,-1.143,-1.144,-1.145,-1.146,-1.147,-1.148,\n &-1.149,-1.150,-1.151,-1.152,-1.153,-1.153,-1.154,-1.155,-1.156,\n &-1.157,-1.158,-1.159,-1.160,-1.161,-1.162,-1.163,-1.164,-1.165,\n &-1.165,-1.166,-1.167,-1.168,-1.169,-1.170,-1.171,-1.172,-1.172,\n &-1.173,-1.174,-1.175,-1.176,-1.177,-1.178,-1.178,-1.179,-1.180,\n &-1.181,-1.182,-1.183,-1.183,-1.184,-1.185,-1.186,-1.187,-1.188,\n &-1.188,-1.189,-1.190,-1.191,-1.199,-1.207,-1.214,-1.221,-1.228,\n &-1.234,-1.240,-1.246,-1.252,-1.258,-1.263,-1.268,-1.273,-1.278,\n &-1.283,-1.287,-1.292,-1.296,-1.300,-1.304,-1.308,-1.312,-1.315,\n &-1.319,-1.322,-1.325,-1.329,-1.332,-1.335,-1.338,-1.341,-1.343,\n &-1.346,-1.349,-1.351,-1.354,-1.356,-1.358,-1.361,-1.363,-1.365,\n &-1.367,-1.369,-1.371,-1.373,-1.375,-1.377,-1.378,-1.380,-1.382,\n &-1.383,-1.385,-1.387,-1.388,-1.390,-1.391,-1.393,-1.394,-1.395,\n &-1.397,-1.398,-1.399,-1.400,-1.402,-1.403,-1.404,-1.405,-1.406,\n &-1.407,-1.408,-1.409,-1.410,-1.411,-1.412,-1.413,-1.414,-1.415,\n &-1.416,-1.417,-1.418,-1.419,-1.420,-1.420,-1.421,-1.422,-1.423,\n &-1.424,-1.424,-1.425,-1.426,-1.427,-1.427,-1.428,-1.429,-1.429,\n &-1.430,-1.430,-1.431,-1.432,-1.432,-1.433,-1.434,-1.434,-1.435,\n &-1.435,-1.436,-1.436,-1.437,-1.437,-1.438,-1.438,-1.439,-1.439,\n &-1.440,-1.440,-1.441,-1.441,-1.442,-1.442,-1.443,-1.443,-1.443,\n &-1.444,-1.444,-1.445,-1.445,-1.445,-1.446,-1.446,-1.447,-1.447,\n &-1.447,-1.448,-1.448,-1.448,-1.449,-1.449,-1.449,-1.450,-1.450,\n &-1.450,-1.451,-1.451,-1.451,-1.452,-1.452,-1.452,-1.453,-1.453,\n &-1.453,-1.454,-1.454,-1.454,-1.454,-1.455,-1.455,-1.455,-1.455,\n &-1.456,-1.456,-1.456\n & /\nC\nC *** KCL\nC\n DATA BNC20M/\n &-0.046,-0.098,-0.123,-0.139,-0.152,-0.162,-0.171,-0.178,-0.184,\n &-0.190,-0.195,-0.199,-0.203,-0.206,-0.209,-0.212,-0.215,-0.217,\n &-0.219,-0.221,-0.223,-0.225,-0.226,-0.228,-0.229,-0.230,-0.231,\n &-0.232,-0.233,-0.234,-0.235,-0.236,-0.236,-0.237,-0.238,-0.238,\n &-0.239,-0.239,-0.240,-0.240,-0.240,-0.241,-0.241,-0.241,-0.242,\n &-0.242,-0.242,-0.242,-0.243,-0.243,-0.243,-0.243,-0.243,-0.243,\n &-0.243,-0.243,-0.243,-0.243,-0.243,-0.243,-0.243,-0.243,-0.243,\n &-0.243,-0.243,-0.243,-0.243,-0.243,-0.243,-0.243,-0.243,-0.242,\n &-0.242,-0.242,-0.242,-0.242,-0.242,-0.241,-0.241,-0.241,-0.241,\n &-0.241,-0.240,-0.240,-0.240,-0.239,-0.239,-0.239,-0.239,-0.238,\n &-0.238,-0.238,-0.237,-0.237,-0.237,-0.236,-0.236,-0.235,-0.235,\n &-0.235,-0.234,-0.234,-0.233,-0.233,-0.232,-0.232,-0.232,-0.231,\n &-0.231,-0.230,-0.230,-0.229,-0.229,-0.228,-0.228,-0.227,-0.227,\n &-0.226,-0.226,-0.225,-0.225,-0.224,-0.224,-0.223,-0.223,-0.222,\n &-0.222,-0.221,-0.220,-0.220,-0.219,-0.219,-0.218,-0.218,-0.217,\n &-0.217,-0.216,-0.216,-0.215,-0.214,-0.214,-0.213,-0.213,-0.212,\n &-0.212,-0.211,-0.210,-0.210,-0.209,-0.209,-0.208,-0.208,-0.207,\n &-0.207,-0.206,-0.205,-0.205,-0.204,-0.204,-0.203,-0.203,-0.202,\n &-0.201,-0.201,-0.200,-0.200,-0.199,-0.199,-0.198,-0.197,-0.197,\n &-0.196,-0.196,-0.195,-0.194,-0.194,-0.193,-0.193,-0.192,-0.192,\n &-0.191,-0.190,-0.190,-0.189,-0.189,-0.188,-0.188,-0.187,-0.186,\n &-0.186,-0.185,-0.185,-0.184,-0.184,-0.183,-0.182,-0.182,-0.181,\n &-0.181,-0.180,-0.180,-0.179,-0.178,-0.178,-0.177,-0.177,-0.176,\n &-0.176,-0.175,-0.174,-0.174,-0.173,-0.173,-0.172,-0.172,-0.171,\n &-0.170,-0.170,-0.169,-0.169,-0.168,-0.168,-0.167,-0.166,-0.166,\n &-0.165,-0.165,-0.164,-0.164,-0.163,-0.162,-0.162,-0.161,-0.161,\n &-0.160,-0.160,-0.159,-0.158,-0.158,-0.157,-0.157,-0.156,-0.156,\n &-0.155,-0.155,-0.154,-0.153,-0.153,-0.152,-0.152,-0.151,-0.151,\n &-0.150,-0.150,-0.149,-0.148,-0.148,-0.147,-0.147,-0.146,-0.146,\n &-0.145,-0.145,-0.144,-0.143,-0.143,-0.142,-0.142,-0.141,-0.141,\n &-0.140,-0.140,-0.139,-0.139,-0.138,-0.137,-0.137,-0.136,-0.136,\n &-0.135,-0.135,-0.134,-0.134,-0.133,-0.133,-0.132,-0.131,-0.131,\n &-0.130,-0.130,-0.129,-0.129,-0.128,-0.128,-0.127,-0.127,-0.126,\n &-0.126,-0.125,-0.125,-0.124,-0.123,-0.123,-0.122,-0.122,-0.121,\n &-0.121,-0.120,-0.120,-0.119,-0.119,-0.118,-0.118,-0.117,-0.117,\n &-0.116,-0.116,-0.115,-0.115,-0.114,-0.113,-0.113,-0.112,-0.112,\n &-0.111,-0.111,-0.110,-0.110,-0.109,-0.109,-0.108,-0.108,-0.107,\n &-0.107,-0.106,-0.106,-0.105,-0.105,-0.104,-0.104,-0.103,-0.103,\n &-0.102,-0.102,-0.101,-0.101,-0.100,-0.100,-0.099,-0.099,-0.098,\n &-0.098,-0.097,-0.097,-0.096,-0.096,-0.095,-0.095,-0.094,-0.094,\n &-0.093,-0.093,-0.092,-0.092,-0.091,-0.091,-0.090,-0.090,-0.089,\n &-0.089,-0.088,-0.088,-0.087,-0.087,-0.086,-0.086,-0.085,-0.085,\n &-0.084,-0.084,-0.083,-0.083,-0.082,-0.082,-0.081,-0.081,-0.080,\n &-0.080,-0.079,-0.079,-0.078,-0.078,-0.077,-0.077,-0.077,-0.076,\n &-0.076,-0.075,-0.075,-0.074,-0.069,-0.064,-0.060,-0.055,-0.051,\n &-0.046,-0.042,-0.037,-0.033,-0.028,-0.024,-0.020,-0.016,-0.012,\n &-0.008,-0.004, 0.000, 0.004, 0.008, 0.012, 0.016, 0.020, 0.024,\n & 0.028, 0.031, 0.035, 0.039, 0.042, 0.046, 0.049, 0.053, 0.056,\n & 0.060, 0.063, 0.067, 0.070, 0.073, 0.077, 0.080, 0.083, 0.087,\n & 0.090, 0.093, 0.096, 0.099, 0.102, 0.105, 0.108, 0.111, 0.114,\n & 0.117, 0.120, 0.123, 0.126, 0.129, 0.132, 0.135, 0.138, 0.141,\n & 0.143, 0.146, 0.149, 0.152, 0.154, 0.157, 0.160, 0.162, 0.165,\n & 0.168, 0.170, 0.173, 0.176, 0.178, 0.181, 0.183, 0.186, 0.188,\n & 0.191, 0.193, 0.196, 0.198, 0.200, 0.203, 0.205, 0.208, 0.210,\n & 0.212, 0.215, 0.217, 0.219, 0.221, 0.224, 0.226, 0.228, 0.231,\n & 0.233, 0.235, 0.237, 0.239, 0.242, 0.244, 0.246, 0.248, 0.250,\n & 0.252, 0.254, 0.256, 0.258, 0.261, 0.263, 0.265, 0.267, 0.269,\n & 0.271, 0.273, 0.275, 0.277, 0.279, 0.281, 0.283, 0.285, 0.286,\n & 0.288, 0.290, 0.292, 0.294, 0.296, 0.298, 0.300, 0.302, 0.304,\n & 0.305, 0.307, 0.309, 0.311, 0.313, 0.314, 0.316, 0.318, 0.320,\n & 0.322, 0.323, 0.325, 0.327, 0.329, 0.330, 0.332, 0.334, 0.335,\n & 0.337, 0.339, 0.341, 0.342, 0.344, 0.346, 0.347, 0.349, 0.350,\n & 0.352, 0.354, 0.355\n & /\nC\nC *** MGSO4\nC\n DATA BNC21M/\n &-0.185,-0.400,-0.506,-0.579,-0.636,-0.683,-0.723,-0.757,-0.787,\n &-0.814,-0.839,-0.861,-0.881,-0.900,-0.917,-0.934,-0.949,-0.963,\n &-0.977,-0.989,-1.001,-1.013,-1.023,-1.034,-1.044,-1.053,-1.062,\n &-1.071,-1.079,-1.087,-1.094,-1.102,-1.109,-1.116,-1.122,-1.129,\n &-1.135,-1.141,-1.147,-1.152,-1.158,-1.163,-1.168,-1.173,-1.178,\n &-1.183,-1.187,-1.192,-1.196,-1.200,-1.205,-1.209,-1.213,-1.216,\n &-1.220,-1.224,-1.228,-1.231,-1.235,-1.238,-1.241,-1.244,-1.248,\n &-1.251,-1.254,-1.257,-1.260,-1.263,-1.265,-1.268,-1.271,-1.274,\n &-1.276,-1.279,-1.281,-1.284,-1.286,-1.288,-1.291,-1.293,-1.295,\n &-1.297,-1.300,-1.302,-1.304,-1.306,-1.308,-1.310,-1.312,-1.314,\n &-1.316,-1.317,-1.319,-1.321,-1.323,-1.324,-1.326,-1.328,-1.329,\n &-1.331,-1.333,-1.334,-1.336,-1.337,-1.339,-1.340,-1.341,-1.343,\n &-1.344,-1.346,-1.347,-1.348,-1.350,-1.351,-1.352,-1.353,-1.355,\n &-1.356,-1.357,-1.358,-1.359,-1.360,-1.362,-1.363,-1.364,-1.365,\n &-1.366,-1.367,-1.368,-1.369,-1.370,-1.371,-1.372,-1.373,-1.374,\n &-1.375,-1.376,-1.377,-1.377,-1.378,-1.379,-1.380,-1.381,-1.382,\n &-1.383,-1.383,-1.384,-1.385,-1.386,-1.387,-1.387,-1.388,-1.389,\n &-1.390,-1.390,-1.391,-1.392,-1.393,-1.393,-1.394,-1.395,-1.395,\n &-1.396,-1.397,-1.397,-1.398,-1.399,-1.399,-1.400,-1.401,-1.401,\n &-1.402,-1.402,-1.403,-1.404,-1.404,-1.405,-1.405,-1.406,-1.406,\n &-1.407,-1.407,-1.408,-1.408,-1.409,-1.410,-1.410,-1.411,-1.411,\n &-1.412,-1.412,-1.412,-1.413,-1.413,-1.414,-1.414,-1.415,-1.415,\n &-1.416,-1.416,-1.417,-1.417,-1.417,-1.418,-1.418,-1.419,-1.419,\n &-1.420,-1.420,-1.420,-1.421,-1.421,-1.422,-1.422,-1.422,-1.423,\n &-1.423,-1.423,-1.424,-1.424,-1.424,-1.425,-1.425,-1.426,-1.426,\n &-1.426,-1.427,-1.427,-1.427,-1.428,-1.428,-1.428,-1.428,-1.429,\n &-1.429,-1.429,-1.430,-1.430,-1.430,-1.431,-1.431,-1.431,-1.431,\n &-1.432,-1.432,-1.432,-1.433,-1.433,-1.433,-1.433,-1.434,-1.434,\n &-1.434,-1.434,-1.435,-1.435,-1.435,-1.435,-1.436,-1.436,-1.436,\n &-1.436,-1.437,-1.437,-1.437,-1.437,-1.437,-1.438,-1.438,-1.438,\n &-1.438,-1.439,-1.439,-1.439,-1.439,-1.439,-1.440,-1.440,-1.440,\n &-1.440,-1.440,-1.441,-1.441,-1.441,-1.441,-1.441,-1.441,-1.442,\n &-1.442,-1.442,-1.442,-1.442,-1.442,-1.443,-1.443,-1.443,-1.443,\n &-1.443,-1.443,-1.444,-1.444,-1.444,-1.444,-1.444,-1.444,-1.445,\n &-1.445,-1.445,-1.445,-1.445,-1.445,-1.445,-1.446,-1.446,-1.446,\n &-1.446,-1.446,-1.446,-1.446,-1.446,-1.447,-1.447,-1.447,-1.447,\n &-1.447,-1.447,-1.447,-1.447,-1.448,-1.448,-1.448,-1.448,-1.448,\n &-1.448,-1.448,-1.448,-1.448,-1.449,-1.449,-1.449,-1.449,-1.449,\n &-1.449,-1.449,-1.449,-1.449,-1.449,-1.450,-1.450,-1.450,-1.450,\n &-1.450,-1.450,-1.450,-1.450,-1.450,-1.450,-1.450,-1.451,-1.451,\n &-1.451,-1.451,-1.451,-1.451,-1.451,-1.451,-1.451,-1.451,-1.451,\n &-1.451,-1.451,-1.451,-1.452,-1.452,-1.452,-1.452,-1.452,-1.452,\n &-1.452,-1.452,-1.452,-1.452,-1.452,-1.452,-1.452,-1.452,-1.452,\n &-1.453,-1.453,-1.453,-1.453,-1.453,-1.453,-1.453,-1.453,-1.453,\n &-1.453,-1.453,-1.453,-1.453,-1.454,-1.454,-1.454,-1.455,-1.455,\n &-1.455,-1.455,-1.455,-1.455,-1.455,-1.455,-1.455,-1.455,-1.455,\n &-1.454,-1.454,-1.454,-1.454,-1.453,-1.453,-1.453,-1.452,-1.452,\n &-1.452,-1.451,-1.451,-1.450,-1.450,-1.450,-1.449,-1.449,-1.448,\n &-1.448,-1.447,-1.447,-1.446,-1.446,-1.445,-1.445,-1.444,-1.444,\n &-1.443,-1.442,-1.442,-1.441,-1.441,-1.440,-1.440,-1.439,-1.438,\n &-1.438,-1.437,-1.437,-1.436,-1.436,-1.435,-1.434,-1.434,-1.433,\n &-1.433,-1.432,-1.431,-1.431,-1.430,-1.430,-1.429,-1.428,-1.428,\n &-1.427,-1.426,-1.426,-1.425,-1.425,-1.424,-1.423,-1.423,-1.422,\n &-1.422,-1.421,-1.420,-1.420,-1.419,-1.418,-1.418,-1.417,-1.417,\n &-1.416,-1.415,-1.415,-1.414,-1.414,-1.413,-1.412,-1.412,-1.411,\n &-1.411,-1.410,-1.409,-1.409,-1.408,-1.408,-1.407,-1.406,-1.406,\n &-1.405,-1.405,-1.404,-1.403,-1.403,-1.402,-1.402,-1.401,-1.400,\n &-1.400,-1.399,-1.399,-1.398,-1.398,-1.397,-1.396,-1.396,-1.395,\n &-1.395,-1.394,-1.394,-1.393,-1.392,-1.392,-1.391,-1.391,-1.390,\n &-1.390,-1.389,-1.388,-1.388,-1.387,-1.387,-1.386,-1.386,-1.385,\n &-1.385,-1.384,-1.383,-1.383,-1.382,-1.382,-1.381,-1.381,-1.380,\n &-1.380,-1.379,-1.378,-1.378,-1.377,-1.377,-1.376,-1.376,-1.375,\n &-1.375,-1.374,-1.374\n & /\nC\nC *** MGNO32\nC\n DATA BNC22M/\n &-0.091,-0.189,-0.233,-0.262,-0.283,-0.299,-0.312,-0.322,-0.330,\n &-0.337,-0.343,-0.347,-0.351,-0.354,-0.356,-0.358,-0.359,-0.360,\n &-0.361,-0.361,-0.361,-0.360,-0.360,-0.359,-0.358,-0.356,-0.355,\n &-0.354,-0.352,-0.350,-0.348,-0.346,-0.344,-0.342,-0.340,-0.337,\n &-0.335,-0.332,-0.330,-0.327,-0.325,-0.322,-0.319,-0.316,-0.314,\n &-0.311,-0.308,-0.305,-0.302,-0.299,-0.297,-0.294,-0.291,-0.288,\n &-0.285,-0.282,-0.279,-0.276,-0.273,-0.270,-0.267,-0.263,-0.260,\n &-0.257,-0.254,-0.251,-0.248,-0.245,-0.242,-0.238,-0.235,-0.232,\n &-0.229,-0.225,-0.222,-0.219,-0.215,-0.212,-0.209,-0.205,-0.202,\n &-0.198,-0.195,-0.191,-0.188,-0.184,-0.181,-0.177,-0.173,-0.170,\n &-0.166,-0.162,-0.159,-0.155,-0.151,-0.147,-0.143,-0.140,-0.136,\n &-0.132,-0.128,-0.124,-0.120,-0.116,-0.112,-0.108,-0.104,-0.100,\n &-0.096,-0.091,-0.087,-0.083,-0.079,-0.075,-0.071,-0.067,-0.062,\n &-0.058,-0.054,-0.050,-0.046,-0.041,-0.037,-0.033,-0.029,-0.024,\n &-0.020,-0.016,-0.012,-0.008,-0.003, 0.001, 0.005, 0.009, 0.014,\n & 0.018, 0.022, 0.026, 0.031, 0.035, 0.039, 0.043, 0.047, 0.052,\n & 0.056, 0.060, 0.064, 0.069, 0.073, 0.077, 0.081, 0.085, 0.090,\n & 0.094, 0.098, 0.102, 0.106, 0.110, 0.115, 0.119, 0.123, 0.127,\n & 0.131, 0.135, 0.140, 0.144, 0.148, 0.152, 0.156, 0.160, 0.164,\n & 0.169, 0.173, 0.177, 0.181, 0.185, 0.189, 0.193, 0.197, 0.201,\n & 0.205, 0.209, 0.214, 0.218, 0.222, 0.226, 0.230, 0.234, 0.238,\n & 0.242, 0.246, 0.250, 0.254, 0.258, 0.262, 0.266, 0.270, 0.274,\n & 0.278, 0.282, 0.286, 0.290, 0.294, 0.298, 0.302, 0.306, 0.310,\n & 0.314, 0.318, 0.321, 0.325, 0.329, 0.333, 0.337, 0.341, 0.345,\n & 0.349, 0.353, 0.357, 0.361, 0.364, 0.368, 0.372, 0.376, 0.380,\n & 0.384, 0.388, 0.391, 0.395, 0.399, 0.403, 0.407, 0.410, 0.414,\n & 0.418, 0.422, 0.426, 0.429, 0.433, 0.437, 0.441, 0.445, 0.448,\n & 0.452, 0.456, 0.459, 0.463, 0.467, 0.471, 0.474, 0.478, 0.482,\n & 0.486, 0.489, 0.493, 0.497, 0.500, 0.504, 0.508, 0.511, 0.515,\n & 0.519, 0.522, 0.526, 0.530, 0.533, 0.537, 0.540, 0.544, 0.548,\n & 0.551, 0.555, 0.559, 0.562, 0.566, 0.569, 0.573, 0.576, 0.580,\n & 0.584, 0.587, 0.591, 0.594, 0.598, 0.601, 0.605, 0.608, 0.612,\n & 0.615, 0.619, 0.622, 0.626, 0.629, 0.633, 0.636, 0.640, 0.643,\n & 0.647, 0.650, 0.654, 0.657, 0.661, 0.664, 0.668, 0.671, 0.674,\n & 0.678, 0.681, 0.685, 0.688, 0.691, 0.695, 0.698, 0.702, 0.705,\n & 0.708, 0.712, 0.715, 0.719, 0.722, 0.725, 0.729, 0.732, 0.735,\n & 0.739, 0.742, 0.745, 0.749, 0.752, 0.755, 0.759, 0.762, 0.765,\n & 0.768, 0.772, 0.775, 0.778, 0.782, 0.785, 0.788, 0.791, 0.795,\n & 0.798, 0.801, 0.804, 0.808, 0.811, 0.814, 0.817, 0.821, 0.824,\n & 0.827, 0.830, 0.833, 0.837, 0.840, 0.843, 0.846, 0.849, 0.853,\n & 0.856, 0.859, 0.862, 0.865, 0.868, 0.872, 0.875, 0.878, 0.881,\n & 0.884, 0.887, 0.890, 0.893, 0.897, 0.900, 0.903, 0.906, 0.909,\n & 0.912, 0.915, 0.918, 0.921, 0.924, 0.928, 0.931, 0.934, 0.937,\n & 0.940, 0.943, 0.946, 0.949, 0.952, 0.955, 0.958, 0.961, 0.964,\n & 0.967, 0.970, 0.973, 0.976, 1.008, 1.038, 1.067, 1.095, 1.124,\n & 1.152, 1.179, 1.206, 1.233, 1.260, 1.286, 1.312, 1.337, 1.363,\n & 1.387, 1.412, 1.437, 1.461, 1.484, 1.508, 1.531, 1.554, 1.577,\n & 1.600, 1.622, 1.644, 1.666, 1.687, 1.709, 1.730, 1.751, 1.772,\n & 1.792, 1.812, 1.832, 1.852, 1.872, 1.892, 1.911, 1.930, 1.949,\n & 1.968, 1.987, 2.005, 2.023, 2.042, 2.060, 2.077, 2.095, 2.113,\n & 2.130, 2.147, 2.164, 2.181, 2.198, 2.215, 2.231, 2.248, 2.264,\n & 2.280, 2.296, 2.312, 2.328, 2.343, 2.359, 2.374, 2.389, 2.405,\n & 2.420, 2.435, 2.449, 2.464, 2.479, 2.493, 2.508, 2.522, 2.536,\n & 2.550, 2.564, 2.578, 2.592, 2.606, 2.619, 2.633, 2.646, 2.660,\n & 2.673, 2.686, 2.699, 2.712, 2.725, 2.738, 2.751, 2.763, 2.776,\n & 2.788, 2.801, 2.813, 2.826, 2.838, 2.850, 2.862, 2.874, 2.886,\n & 2.898, 2.910, 2.921, 2.933, 2.945, 2.956, 2.967, 2.979, 2.990,\n & 3.001, 3.013, 3.024, 3.035, 3.046, 3.057, 3.068, 3.079, 3.089,\n & 3.100, 3.111, 3.121, 3.132, 3.142, 3.153, 3.163, 3.173, 3.184,\n & 3.194, 3.204, 3.214, 3.224, 3.234, 3.244, 3.254, 3.264, 3.274,\n & 3.284, 3.293, 3.303, 3.313, 3.322, 3.332, 3.341, 3.351, 3.360,\n & 3.370, 3.379, 3.388, 3.397, 3.407, 3.416, 3.425, 3.434, 3.443,\n & 3.452, 3.461, 3.470\n & /\nC\nC *** MGCL2\nC\n DATA BNC23M/\n &-0.090,-0.186,-0.229,-0.256,-0.276,-0.290,-0.302,-0.310,-0.317,\n &-0.322,-0.327,-0.330,-0.332,-0.333,-0.334,-0.335,-0.335,-0.334,\n &-0.333,-0.332,-0.331,-0.329,-0.327,-0.325,-0.322,-0.320,-0.317,\n &-0.314,-0.311,-0.308,-0.305,-0.301,-0.298,-0.294,-0.291,-0.287,\n &-0.283,-0.279,-0.275,-0.272,-0.268,-0.264,-0.260,-0.255,-0.251,\n &-0.247,-0.243,-0.239,-0.235,-0.231,-0.226,-0.222,-0.218,-0.214,\n &-0.209,-0.205,-0.201,-0.196,-0.192,-0.188,-0.184,-0.179,-0.175,\n &-0.170,-0.166,-0.162,-0.157,-0.153,-0.148,-0.144,-0.139,-0.135,\n &-0.130,-0.126,-0.121,-0.117,-0.112,-0.107,-0.103,-0.098,-0.093,\n &-0.089,-0.084,-0.079,-0.074,-0.069,-0.065,-0.060,-0.055,-0.050,\n &-0.045,-0.040,-0.034,-0.029,-0.024,-0.019,-0.014,-0.009,-0.003,\n & 0.002, 0.007, 0.013, 0.018, 0.023, 0.029, 0.034, 0.040, 0.045,\n & 0.050, 0.056, 0.061, 0.067, 0.073, 0.078, 0.084, 0.089, 0.095,\n & 0.100, 0.106, 0.112, 0.117, 0.123, 0.128, 0.134, 0.140, 0.145,\n & 0.151, 0.157, 0.162, 0.168, 0.174, 0.179, 0.185, 0.190, 0.196,\n & 0.202, 0.207, 0.213, 0.219, 0.224, 0.230, 0.235, 0.241, 0.247,\n & 0.252, 0.258, 0.263, 0.269, 0.275, 0.280, 0.286, 0.291, 0.297,\n & 0.302, 0.308, 0.313, 0.319, 0.325, 0.330, 0.336, 0.341, 0.347,\n & 0.352, 0.358, 0.363, 0.369, 0.374, 0.380, 0.385, 0.390, 0.396,\n & 0.401, 0.407, 0.412, 0.418, 0.423, 0.428, 0.434, 0.439, 0.445,\n & 0.450, 0.455, 0.461, 0.466, 0.471, 0.477, 0.482, 0.487, 0.493,\n & 0.498, 0.503, 0.509, 0.514, 0.519, 0.525, 0.530, 0.535, 0.540,\n & 0.546, 0.551, 0.556, 0.561, 0.567, 0.572, 0.577, 0.582, 0.587,\n & 0.593, 0.598, 0.603, 0.608, 0.613, 0.618, 0.624, 0.629, 0.634,\n & 0.639, 0.644, 0.649, 0.654, 0.659, 0.664, 0.669, 0.675, 0.680,\n & 0.685, 0.690, 0.695, 0.700, 0.705, 0.710, 0.715, 0.720, 0.725,\n & 0.730, 0.735, 0.740, 0.745, 0.750, 0.755, 0.759, 0.764, 0.769,\n & 0.774, 0.779, 0.784, 0.789, 0.794, 0.799, 0.804, 0.808, 0.813,\n & 0.818, 0.823, 0.828, 0.833, 0.837, 0.842, 0.847, 0.852, 0.857,\n & 0.861, 0.866, 0.871, 0.876, 0.880, 0.885, 0.890, 0.895, 0.899,\n & 0.904, 0.909, 0.914, 0.918, 0.923, 0.928, 0.932, 0.937, 0.942,\n & 0.946, 0.951, 0.955, 0.960, 0.965, 0.969, 0.974, 0.979, 0.983,\n & 0.988, 0.992, 0.997, 1.001, 1.006, 1.011, 1.015, 1.020, 1.024,\n & 1.029, 1.033, 1.038, 1.042, 1.047, 1.051, 1.056, 1.060, 1.065,\n & 1.069, 1.073, 1.078, 1.082, 1.087, 1.091, 1.096, 1.100, 1.104,\n & 1.109, 1.113, 1.118, 1.122, 1.126, 1.131, 1.135, 1.139, 1.144,\n & 1.148, 1.152, 1.157, 1.161, 1.165, 1.170, 1.174, 1.178, 1.183,\n & 1.187, 1.191, 1.195, 1.200, 1.204, 1.208, 1.212, 1.217, 1.221,\n & 1.225, 1.229, 1.234, 1.238, 1.242, 1.246, 1.250, 1.255, 1.259,\n & 1.263, 1.267, 1.271, 1.275, 1.279, 1.284, 1.288, 1.292, 1.296,\n & 1.300, 1.304, 1.308, 1.312, 1.316, 1.321, 1.325, 1.329, 1.333,\n & 1.337, 1.341, 1.345, 1.349, 1.353, 1.357, 1.361, 1.365, 1.369,\n & 1.373, 1.377, 1.381, 1.385, 1.389, 1.393, 1.397, 1.401, 1.405,\n & 1.409, 1.413, 1.417, 1.421, 1.425, 1.428, 1.432, 1.436, 1.440,\n & 1.444, 1.448, 1.452, 1.456, 1.497, 1.535, 1.573, 1.610, 1.646,\n & 1.682, 1.717, 1.752, 1.787, 1.821, 1.854, 1.888, 1.920, 1.953,\n & 1.985, 2.016, 2.048, 2.078, 2.109, 2.139, 2.169, 2.198, 2.227,\n & 2.256, 2.285, 2.313, 2.341, 2.368, 2.395, 2.422, 2.449, 2.475,\n & 2.501, 2.527, 2.553, 2.578, 2.603, 2.628, 2.653, 2.677, 2.701,\n & 2.725, 2.749, 2.772, 2.796, 2.819, 2.841, 2.864, 2.887, 2.909,\n & 2.931, 2.953, 2.974, 2.996, 3.017, 3.038, 3.059, 3.080, 3.100,\n & 3.121, 3.141, 3.161, 3.181, 3.201, 3.221, 3.240, 3.259, 3.279,\n & 3.298, 3.317, 3.335, 3.354, 3.372, 3.391, 3.409, 3.427, 3.445,\n & 3.463, 3.480, 3.498, 3.516, 3.533, 3.550, 3.567, 3.584, 3.601,\n & 3.618, 3.634, 3.651, 3.667, 3.684, 3.700, 3.716, 3.732, 3.748,\n & 3.764, 3.779, 3.795, 3.810, 3.826, 3.841, 3.856, 3.872, 3.887,\n & 3.902, 3.916, 3.931, 3.946, 3.961, 3.975, 3.989, 4.004, 4.018,\n & 4.032, 4.046, 4.060, 4.074, 4.088, 4.102, 4.116, 4.129, 4.143,\n & 4.157, 4.170, 4.183, 4.197, 4.210, 4.223, 4.236, 4.249, 4.262,\n & 4.275, 4.288, 4.300, 4.313, 4.326, 4.338, 4.351, 4.363, 4.376,\n & 4.388, 4.400, 4.412, 4.424, 4.436, 4.449, 4.460, 4.472, 4.484,\n & 4.496, 4.508, 4.519, 4.531, 4.543, 4.554, 4.566, 4.577, 4.588,\n & 4.600, 4.611, 4.622\n & /\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE KM323\nC *** CALCULATES BINARY ACTIVITY COEFFICIENTS BY KUSIK-MEISSNER METHOD.\nC THE COMPUTATIONS HAVE BEEN PERFORMED AND THE RESULTS ARE STORED IN\nC LOOKUP TABLES. THE IONIC ACTIVITY 'IN' IS INPUT, AND THE ARRAY\nC 'BINARR' IS RETURNED WITH THE BINARY COEFFICIENTS.\nC\nC TEMPERATURE IS 323K\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE KM323 (IONIC, BINARR)\nC\nC *** Common block definition\nC\n COMMON /KMC323/\n &BNC01M( 561),BNC02M( 561),BNC03M( 561),BNC04M( 561),\n &BNC05M( 561),BNC06M( 561),BNC07M( 561),BNC08M( 561),\n &BNC09M( 561),BNC10M( 561),BNC11M( 561),BNC12M( 561),\n &BNC13M( 561),BNC14M( 561),BNC15M( 561),BNC16M( 561),\n &BNC17M( 561),BNC18M( 561),BNC19M( 561),BNC20M( 561),\n &BNC21M( 561),BNC22M( 561),BNC23M( 561)\n REAL Binarr (23), Ionic\nC\nC *** Find position in arrays for bincoef\nC\n IF (Ionic.LE. 0.200000E+02) THEN\n ipos = MIN(NINT( 0.200000E+02*Ionic) + 1, 400)\n ELSE\n ipos = 400+NINT( 0.200000E+01*Ionic- 0.400000E+02)\n ENDIF\n ipos = min(ipos, 561)\nC\nC *** Assign values to return array\nC\n Binarr(01) = BNC01M(ipos)\n Binarr(02) = BNC02M(ipos)\n Binarr(03) = BNC03M(ipos)\n Binarr(04) = BNC04M(ipos)\n Binarr(05) = BNC05M(ipos)\n Binarr(06) = BNC06M(ipos)\n Binarr(07) = BNC07M(ipos)\n Binarr(08) = BNC08M(ipos)\n Binarr(09) = BNC09M(ipos)\n Binarr(10) = BNC10M(ipos)\n Binarr(11) = BNC11M(ipos)\n Binarr(12) = BNC12M(ipos)\n Binarr(13) = BNC13M(ipos)\n Binarr(14) = BNC14M(ipos)\n Binarr(15) = BNC15M(ipos)\n Binarr(16) = BNC16M(ipos)\n Binarr(17) = BNC17M(ipos)\n Binarr(18) = BNC18M(ipos)\n Binarr(19) = BNC19M(ipos)\n Binarr(20) = BNC20M(ipos)\n Binarr(21) = BNC21M(ipos)\n Binarr(22) = BNC22M(ipos)\n Binarr(23) = BNC23M(ipos)\nC\nC *** Return point ; End of subroutine\nC\n RETURN\n END\n\n\n BLOCK DATA KMCF323\nC\nC *** Common block definition\nC\n COMMON /KMC323/\n &BNC01M( 561),BNC02M( 561),BNC03M( 561),BNC04M( 561),\n &BNC05M( 561),BNC06M( 561),BNC07M( 561),BNC08M( 561),\n &BNC09M( 561),BNC10M( 561),BNC11M( 561),BNC12M( 561),\n &BNC13M( 561),BNC14M( 561),BNC15M( 561),BNC16M( 561),\n &BNC17M( 561),BNC18M( 561),BNC19M( 561),BNC20M( 561),\n &BNC21M( 561),BNC22M( 561),BNC23M( 561)\n\nC\nC *** NaCl\nC\n DATA BNC01M/\n &-0.044,-0.092,-0.114,-0.129,-0.139,-0.147,-0.154,-0.159,-0.163,\n &-0.167,-0.170,-0.172,-0.174,-0.176,-0.177,-0.178,-0.179,-0.180,\n &-0.180,-0.181,-0.181,-0.181,-0.181,-0.180,-0.180,-0.180,-0.179,\n &-0.179,-0.178,-0.177,-0.177,-0.176,-0.175,-0.174,-0.173,-0.172,\n &-0.171,-0.170,-0.169,-0.168,-0.167,-0.166,-0.165,-0.163,-0.162,\n &-0.161,-0.160,-0.159,-0.157,-0.156,-0.155,-0.153,-0.152,-0.151,\n &-0.150,-0.148,-0.147,-0.146,-0.144,-0.143,-0.142,-0.140,-0.139,\n &-0.137,-0.136,-0.135,-0.133,-0.132,-0.130,-0.129,-0.127,-0.126,\n &-0.125,-0.123,-0.122,-0.120,-0.119,-0.117,-0.116,-0.114,-0.113,\n &-0.111,-0.109,-0.108,-0.106,-0.105,-0.103,-0.101,-0.100,-0.098,\n &-0.096,-0.095,-0.093,-0.091,-0.090,-0.088,-0.086,-0.084,-0.083,\n &-0.081,-0.079,-0.077,-0.076,-0.074,-0.072,-0.070,-0.068,-0.066,\n &-0.065,-0.063,-0.061,-0.059,-0.057,-0.055,-0.053,-0.052,-0.050,\n &-0.048,-0.046,-0.044,-0.042,-0.040,-0.038,-0.036,-0.035,-0.033,\n &-0.031,-0.029,-0.027,-0.025,-0.023,-0.021,-0.019,-0.017,-0.015,\n &-0.013,-0.012,-0.010,-0.008,-0.006,-0.004,-0.002, 0.000, 0.002,\n & 0.004, 0.006, 0.008, 0.009, 0.011, 0.013, 0.015, 0.017, 0.019,\n & 0.021, 0.023, 0.025, 0.027, 0.028, 0.030, 0.032, 0.034, 0.036,\n & 0.038, 0.040, 0.042, 0.044, 0.045, 0.047, 0.049, 0.051, 0.053,\n & 0.055, 0.057, 0.059, 0.060, 0.062, 0.064, 0.066, 0.068, 0.070,\n & 0.072, 0.074, 0.075, 0.077, 0.079, 0.081, 0.083, 0.085, 0.086,\n & 0.088, 0.090, 0.092, 0.094, 0.096, 0.097, 0.099, 0.101, 0.103,\n & 0.105, 0.107, 0.108, 0.110, 0.112, 0.114, 0.116, 0.117, 0.119,\n & 0.121, 0.123, 0.125, 0.127, 0.128, 0.130, 0.132, 0.134, 0.135,\n & 0.137, 0.139, 0.141, 0.143, 0.144, 0.146, 0.148, 0.150, 0.151,\n & 0.153, 0.155, 0.157, 0.159, 0.160, 0.162, 0.164, 0.166, 0.167,\n & 0.169, 0.171, 0.173, 0.174, 0.176, 0.178, 0.180, 0.181, 0.183,\n & 0.185, 0.186, 0.188, 0.190, 0.192, 0.193, 0.195, 0.197, 0.198,\n & 0.200, 0.202, 0.204, 0.205, 0.207, 0.209, 0.210, 0.212, 0.214,\n & 0.215, 0.217, 0.219, 0.221, 0.222, 0.224, 0.226, 0.227, 0.229,\n & 0.231, 0.232, 0.234, 0.236, 0.237, 0.239, 0.241, 0.242, 0.244,\n & 0.246, 0.247, 0.249, 0.250, 0.252, 0.254, 0.255, 0.257, 0.259,\n & 0.260, 0.262, 0.264, 0.265, 0.267, 0.268, 0.270, 0.272, 0.273,\n & 0.275, 0.276, 0.278, 0.280, 0.281, 0.283, 0.285, 0.286, 0.288,\n & 0.289, 0.291, 0.293, 0.294, 0.296, 0.297, 0.299, 0.300, 0.302,\n & 0.304, 0.305, 0.307, 0.308, 0.310, 0.311, 0.313, 0.315, 0.316,\n & 0.318, 0.319, 0.321, 0.322, 0.324, 0.325, 0.327, 0.329, 0.330,\n & 0.332, 0.333, 0.335, 0.336, 0.338, 0.339, 0.341, 0.342, 0.344,\n & 0.345, 0.347, 0.349, 0.350, 0.352, 0.353, 0.355, 0.356, 0.358,\n & 0.359, 0.361, 0.362, 0.364, 0.365, 0.367, 0.368, 0.370, 0.371,\n & 0.373, 0.374, 0.376, 0.377, 0.379, 0.380, 0.382, 0.383, 0.384,\n & 0.386, 0.387, 0.389, 0.390, 0.392, 0.393, 0.395, 0.396, 0.398,\n & 0.399, 0.401, 0.402, 0.404, 0.405, 0.406, 0.408, 0.409, 0.411,\n & 0.412, 0.414, 0.415, 0.417, 0.418, 0.419, 0.421, 0.422, 0.424,\n & 0.425, 0.427, 0.428, 0.429, 0.445, 0.459, 0.472, 0.486, 0.499,\n & 0.513, 0.526, 0.539, 0.552, 0.565, 0.577, 0.590, 0.602, 0.614,\n & 0.626, 0.638, 0.650, 0.662, 0.674, 0.685, 0.697, 0.708, 0.719,\n & 0.730, 0.741, 0.752, 0.763, 0.773, 0.784, 0.795, 0.805, 0.815,\n & 0.825, 0.836, 0.846, 0.856, 0.866, 0.875, 0.885, 0.895, 0.904,\n & 0.914, 0.923, 0.933, 0.942, 0.951, 0.960, 0.969, 0.979, 0.987,\n & 0.996, 1.005, 1.014, 1.023, 1.031, 1.040, 1.049, 1.057, 1.065,\n & 1.074, 1.082, 1.090, 1.099, 1.107, 1.115, 1.123, 1.131, 1.139,\n & 1.147, 1.155, 1.163, 1.170, 1.178, 1.186, 1.193, 1.201, 1.209,\n & 1.216, 1.224, 1.231, 1.238, 1.246, 1.253, 1.260, 1.267, 1.275,\n & 1.282, 1.289, 1.296, 1.303, 1.310, 1.317, 1.324, 1.331, 1.338,\n & 1.345, 1.351, 1.358, 1.365, 1.372, 1.378, 1.385, 1.392, 1.398,\n & 1.405, 1.411, 1.418, 1.424, 1.431, 1.437, 1.443, 1.450, 1.456,\n & 1.462, 1.469, 1.475, 1.481, 1.487, 1.493, 1.500, 1.506, 1.512,\n & 1.518, 1.524, 1.530, 1.536, 1.542, 1.548, 1.554, 1.560, 1.565,\n & 1.571, 1.577, 1.583, 1.589, 1.594, 1.600, 1.606, 1.612, 1.617,\n & 1.623, 1.629, 1.634, 1.640, 1.645, 1.651, 1.656, 1.662, 1.667,\n & 1.673, 1.678, 1.684, 1.689, 1.695, 1.700, 1.705, 1.711, 1.716,\n & 1.721, 1.727, 1.732\n & /\nC\nC *** Na2SO4\nC\n DATA BNC02M/\n &-0.091,-0.196,-0.249,-0.285,-0.314,-0.337,-0.358,-0.375,-0.390,\n &-0.404,-0.417,-0.428,-0.439,-0.449,-0.458,-0.466,-0.475,-0.482,\n &-0.489,-0.496,-0.502,-0.508,-0.514,-0.520,-0.525,-0.530,-0.535,\n &-0.540,-0.544,-0.549,-0.553,-0.557,-0.561,-0.565,-0.569,-0.572,\n &-0.576,-0.579,-0.582,-0.585,-0.588,-0.591,-0.594,-0.597,-0.600,\n &-0.603,-0.605,-0.608,-0.610,-0.613,-0.615,-0.617,-0.620,-0.622,\n &-0.624,-0.626,-0.628,-0.630,-0.632,-0.634,-0.636,-0.638,-0.640,\n &-0.641,-0.643,-0.645,-0.647,-0.648,-0.650,-0.651,-0.653,-0.654,\n &-0.656,-0.657,-0.659,-0.660,-0.662,-0.663,-0.665,-0.666,-0.667,\n &-0.669,-0.670,-0.671,-0.672,-0.674,-0.675,-0.676,-0.677,-0.678,\n &-0.679,-0.681,-0.682,-0.683,-0.684,-0.685,-0.686,-0.687,-0.688,\n &-0.689,-0.690,-0.691,-0.692,-0.693,-0.694,-0.695,-0.696,-0.697,\n &-0.698,-0.699,-0.700,-0.701,-0.701,-0.702,-0.703,-0.704,-0.705,\n &-0.706,-0.706,-0.707,-0.708,-0.709,-0.710,-0.710,-0.711,-0.712,\n &-0.713,-0.713,-0.714,-0.715,-0.716,-0.716,-0.717,-0.718,-0.718,\n &-0.719,-0.720,-0.720,-0.721,-0.722,-0.722,-0.723,-0.724,-0.724,\n &-0.725,-0.725,-0.726,-0.727,-0.727,-0.728,-0.728,-0.729,-0.730,\n &-0.730,-0.731,-0.731,-0.732,-0.732,-0.733,-0.733,-0.734,-0.734,\n &-0.735,-0.735,-0.736,-0.736,-0.737,-0.737,-0.738,-0.738,-0.739,\n &-0.739,-0.740,-0.740,-0.741,-0.741,-0.742,-0.742,-0.742,-0.743,\n &-0.743,-0.744,-0.744,-0.745,-0.745,-0.745,-0.746,-0.746,-0.747,\n &-0.747,-0.747,-0.748,-0.748,-0.748,-0.749,-0.749,-0.750,-0.750,\n &-0.750,-0.751,-0.751,-0.751,-0.752,-0.752,-0.752,-0.753,-0.753,\n &-0.753,-0.754,-0.754,-0.754,-0.755,-0.755,-0.755,-0.755,-0.756,\n &-0.756,-0.756,-0.757,-0.757,-0.757,-0.758,-0.758,-0.758,-0.758,\n &-0.759,-0.759,-0.759,-0.759,-0.760,-0.760,-0.760,-0.760,-0.761,\n &-0.761,-0.761,-0.761,-0.762,-0.762,-0.762,-0.762,-0.763,-0.763,\n &-0.763,-0.763,-0.764,-0.764,-0.764,-0.764,-0.764,-0.765,-0.765,\n &-0.765,-0.765,-0.765,-0.766,-0.766,-0.766,-0.766,-0.766,-0.767,\n &-0.767,-0.767,-0.767,-0.767,-0.768,-0.768,-0.768,-0.768,-0.768,\n &-0.768,-0.769,-0.769,-0.769,-0.769,-0.769,-0.769,-0.770,-0.770,\n &-0.770,-0.770,-0.770,-0.770,-0.771,-0.771,-0.771,-0.771,-0.771,\n &-0.771,-0.771,-0.771,-0.772,-0.772,-0.772,-0.772,-0.772,-0.772,\n &-0.772,-0.773,-0.773,-0.773,-0.773,-0.773,-0.773,-0.773,-0.773,\n &-0.773,-0.774,-0.774,-0.774,-0.774,-0.774,-0.774,-0.774,-0.774,\n &-0.774,-0.775,-0.775,-0.775,-0.775,-0.775,-0.775,-0.775,-0.775,\n &-0.775,-0.775,-0.775,-0.775,-0.776,-0.776,-0.776,-0.776,-0.776,\n &-0.776,-0.776,-0.776,-0.776,-0.776,-0.776,-0.776,-0.776,-0.777,\n &-0.777,-0.777,-0.777,-0.777,-0.777,-0.777,-0.777,-0.777,-0.777,\n &-0.777,-0.777,-0.777,-0.777,-0.777,-0.777,-0.777,-0.777,-0.778,\n &-0.778,-0.778,-0.778,-0.778,-0.778,-0.778,-0.778,-0.778,-0.778,\n &-0.778,-0.778,-0.778,-0.778,-0.778,-0.778,-0.778,-0.778,-0.778,\n &-0.778,-0.778,-0.778,-0.778,-0.778,-0.778,-0.778,-0.778,-0.778,\n &-0.778,-0.778,-0.778,-0.778,-0.778,-0.778,-0.778,-0.779,-0.779,\n &-0.779,-0.779,-0.779,-0.779,-0.779,-0.779,-0.778,-0.778,-0.778,\n &-0.778,-0.777,-0.777,-0.776,-0.776,-0.775,-0.774,-0.774,-0.773,\n &-0.772,-0.771,-0.770,-0.769,-0.768,-0.767,-0.766,-0.765,-0.764,\n &-0.763,-0.762,-0.760,-0.759,-0.758,-0.756,-0.755,-0.754,-0.752,\n &-0.751,-0.749,-0.748,-0.746,-0.745,-0.743,-0.742,-0.740,-0.739,\n &-0.737,-0.735,-0.734,-0.732,-0.730,-0.729,-0.727,-0.725,-0.723,\n &-0.722,-0.720,-0.718,-0.716,-0.714,-0.713,-0.711,-0.709,-0.707,\n &-0.705,-0.703,-0.701,-0.699,-0.697,-0.695,-0.693,-0.691,-0.690,\n &-0.688,-0.686,-0.683,-0.681,-0.679,-0.677,-0.675,-0.673,-0.671,\n &-0.669,-0.667,-0.665,-0.663,-0.661,-0.659,-0.656,-0.654,-0.652,\n &-0.650,-0.648,-0.646,-0.644,-0.641,-0.639,-0.637,-0.635,-0.633,\n &-0.630,-0.628,-0.626,-0.624,-0.621,-0.619,-0.617,-0.615,-0.612,\n &-0.610,-0.608,-0.606,-0.603,-0.601,-0.599,-0.597,-0.594,-0.592,\n &-0.590,-0.587,-0.585,-0.583,-0.580,-0.578,-0.576,-0.573,-0.571,\n &-0.569,-0.566,-0.564,-0.562,-0.559,-0.557,-0.555,-0.552,-0.550,\n &-0.547,-0.545,-0.543,-0.540,-0.538,-0.536,-0.533,-0.531,-0.528,\n &-0.526,-0.524,-0.521,-0.519,-0.516,-0.514,-0.511,-0.509,-0.507,\n &-0.504,-0.502,-0.499,-0.497,-0.494,-0.492,-0.490,-0.487,-0.485,\n &-0.482,-0.480,-0.477\n & /\nC\nC *** NaNO3\nC\n DATA BNC03M/\n &-0.045,-0.099,-0.125,-0.144,-0.159,-0.171,-0.181,-0.190,-0.198,\n &-0.206,-0.212,-0.218,-0.224,-0.229,-0.234,-0.239,-0.243,-0.247,\n &-0.251,-0.255,-0.258,-0.261,-0.265,-0.268,-0.271,-0.274,-0.276,\n &-0.279,-0.281,-0.284,-0.286,-0.289,-0.291,-0.293,-0.295,-0.297,\n &-0.299,-0.301,-0.303,-0.305,-0.306,-0.308,-0.310,-0.312,-0.313,\n &-0.315,-0.316,-0.318,-0.319,-0.321,-0.322,-0.323,-0.325,-0.326,\n &-0.327,-0.329,-0.330,-0.331,-0.332,-0.333,-0.335,-0.336,-0.337,\n &-0.338,-0.339,-0.340,-0.341,-0.342,-0.343,-0.344,-0.345,-0.346,\n &-0.347,-0.348,-0.349,-0.350,-0.350,-0.351,-0.352,-0.353,-0.354,\n &-0.355,-0.356,-0.356,-0.357,-0.358,-0.359,-0.359,-0.360,-0.361,\n &-0.362,-0.363,-0.363,-0.364,-0.365,-0.365,-0.366,-0.367,-0.368,\n &-0.368,-0.369,-0.370,-0.370,-0.371,-0.372,-0.372,-0.373,-0.374,\n &-0.374,-0.375,-0.375,-0.376,-0.377,-0.377,-0.378,-0.378,-0.379,\n &-0.380,-0.380,-0.381,-0.381,-0.382,-0.383,-0.383,-0.384,-0.384,\n &-0.385,-0.385,-0.386,-0.386,-0.387,-0.387,-0.388,-0.388,-0.389,\n &-0.389,-0.390,-0.390,-0.391,-0.391,-0.392,-0.392,-0.393,-0.393,\n &-0.394,-0.394,-0.395,-0.395,-0.396,-0.396,-0.397,-0.397,-0.397,\n &-0.398,-0.398,-0.399,-0.399,-0.400,-0.400,-0.400,-0.401,-0.401,\n &-0.402,-0.402,-0.402,-0.403,-0.403,-0.404,-0.404,-0.404,-0.405,\n &-0.405,-0.406,-0.406,-0.406,-0.407,-0.407,-0.407,-0.408,-0.408,\n &-0.408,-0.409,-0.409,-0.409,-0.410,-0.410,-0.411,-0.411,-0.411,\n &-0.412,-0.412,-0.412,-0.413,-0.413,-0.413,-0.413,-0.414,-0.414,\n &-0.414,-0.415,-0.415,-0.415,-0.416,-0.416,-0.416,-0.417,-0.417,\n &-0.417,-0.417,-0.418,-0.418,-0.418,-0.419,-0.419,-0.419,-0.419,\n &-0.420,-0.420,-0.420,-0.421,-0.421,-0.421,-0.421,-0.422,-0.422,\n &-0.422,-0.422,-0.423,-0.423,-0.423,-0.423,-0.424,-0.424,-0.424,\n &-0.424,-0.425,-0.425,-0.425,-0.425,-0.426,-0.426,-0.426,-0.426,\n &-0.427,-0.427,-0.427,-0.427,-0.428,-0.428,-0.428,-0.428,-0.428,\n &-0.429,-0.429,-0.429,-0.429,-0.430,-0.430,-0.430,-0.430,-0.430,\n &-0.431,-0.431,-0.431,-0.431,-0.431,-0.432,-0.432,-0.432,-0.432,\n &-0.432,-0.433,-0.433,-0.433,-0.433,-0.433,-0.434,-0.434,-0.434,\n &-0.434,-0.434,-0.435,-0.435,-0.435,-0.435,-0.435,-0.435,-0.436,\n &-0.436,-0.436,-0.436,-0.436,-0.436,-0.437,-0.437,-0.437,-0.437,\n &-0.437,-0.438,-0.438,-0.438,-0.438,-0.438,-0.438,-0.438,-0.439,\n &-0.439,-0.439,-0.439,-0.439,-0.439,-0.440,-0.440,-0.440,-0.440,\n &-0.440,-0.440,-0.440,-0.441,-0.441,-0.441,-0.441,-0.441,-0.441,\n &-0.442,-0.442,-0.442,-0.442,-0.442,-0.442,-0.442,-0.442,-0.443,\n &-0.443,-0.443,-0.443,-0.443,-0.443,-0.443,-0.444,-0.444,-0.444,\n &-0.444,-0.444,-0.444,-0.444,-0.444,-0.445,-0.445,-0.445,-0.445,\n &-0.445,-0.445,-0.445,-0.445,-0.446,-0.446,-0.446,-0.446,-0.446,\n &-0.446,-0.446,-0.446,-0.446,-0.447,-0.447,-0.447,-0.447,-0.447,\n &-0.447,-0.447,-0.447,-0.447,-0.447,-0.448,-0.448,-0.448,-0.448,\n &-0.448,-0.448,-0.448,-0.448,-0.448,-0.449,-0.449,-0.449,-0.449,\n &-0.449,-0.449,-0.449,-0.449,-0.449,-0.449,-0.449,-0.450,-0.450,\n &-0.450,-0.450,-0.450,-0.450,-0.451,-0.452,-0.452,-0.453,-0.454,\n &-0.454,-0.455,-0.455,-0.456,-0.456,-0.457,-0.457,-0.457,-0.458,\n &-0.458,-0.458,-0.458,-0.458,-0.458,-0.458,-0.459,-0.459,-0.459,\n &-0.459,-0.459,-0.458,-0.458,-0.458,-0.458,-0.458,-0.458,-0.458,\n &-0.457,-0.457,-0.457,-0.457,-0.456,-0.456,-0.456,-0.455,-0.455,\n &-0.455,-0.454,-0.454,-0.453,-0.453,-0.453,-0.452,-0.452,-0.451,\n &-0.451,-0.450,-0.450,-0.449,-0.449,-0.448,-0.448,-0.447,-0.446,\n &-0.446,-0.445,-0.445,-0.444,-0.443,-0.443,-0.442,-0.442,-0.441,\n &-0.440,-0.440,-0.439,-0.438,-0.437,-0.437,-0.436,-0.435,-0.435,\n &-0.434,-0.433,-0.432,-0.432,-0.431,-0.430,-0.429,-0.429,-0.428,\n &-0.427,-0.426,-0.425,-0.425,-0.424,-0.423,-0.422,-0.421,-0.420,\n &-0.420,-0.419,-0.418,-0.417,-0.416,-0.415,-0.414,-0.414,-0.413,\n &-0.412,-0.411,-0.410,-0.409,-0.408,-0.407,-0.406,-0.405,-0.404,\n &-0.404,-0.403,-0.402,-0.401,-0.400,-0.399,-0.398,-0.397,-0.396,\n &-0.395,-0.394,-0.393,-0.392,-0.391,-0.390,-0.389,-0.388,-0.387,\n &-0.386,-0.385,-0.384,-0.383,-0.382,-0.381,-0.380,-0.379,-0.378,\n &-0.377,-0.376,-0.375,-0.374,-0.373,-0.372,-0.371,-0.370,-0.369,\n &-0.368,-0.367,-0.366,-0.365,-0.364,-0.363,-0.362,-0.361,-0.360,\n &-0.359,-0.358,-0.356\n & /\nC\nC *** (NH4)2SO4\nC\n DATA BNC04M/\n &-0.091,-0.197,-0.249,-0.286,-0.315,-0.339,-0.359,-0.377,-0.392,\n &-0.406,-0.419,-0.431,-0.442,-0.452,-0.461,-0.470,-0.478,-0.486,\n &-0.493,-0.500,-0.507,-0.513,-0.519,-0.525,-0.530,-0.535,-0.540,\n &-0.545,-0.550,-0.554,-0.559,-0.563,-0.567,-0.571,-0.575,-0.579,\n &-0.582,-0.586,-0.589,-0.592,-0.596,-0.599,-0.602,-0.605,-0.608,\n &-0.611,-0.613,-0.616,-0.619,-0.621,-0.624,-0.626,-0.628,-0.631,\n &-0.633,-0.635,-0.637,-0.640,-0.642,-0.644,-0.646,-0.648,-0.650,\n &-0.652,-0.653,-0.655,-0.657,-0.659,-0.661,-0.662,-0.664,-0.666,\n &-0.667,-0.669,-0.670,-0.672,-0.673,-0.675,-0.676,-0.678,-0.679,\n &-0.681,-0.682,-0.683,-0.685,-0.686,-0.687,-0.689,-0.690,-0.691,\n &-0.693,-0.694,-0.695,-0.696,-0.697,-0.699,-0.700,-0.701,-0.702,\n &-0.703,-0.704,-0.705,-0.707,-0.708,-0.709,-0.710,-0.711,-0.712,\n &-0.713,-0.714,-0.715,-0.716,-0.717,-0.718,-0.719,-0.720,-0.721,\n &-0.722,-0.723,-0.724,-0.724,-0.725,-0.726,-0.727,-0.728,-0.729,\n &-0.730,-0.731,-0.731,-0.732,-0.733,-0.734,-0.735,-0.735,-0.736,\n &-0.737,-0.738,-0.738,-0.739,-0.740,-0.741,-0.741,-0.742,-0.743,\n &-0.744,-0.744,-0.745,-0.746,-0.746,-0.747,-0.748,-0.748,-0.749,\n &-0.750,-0.750,-0.751,-0.752,-0.752,-0.753,-0.754,-0.754,-0.755,\n &-0.755,-0.756,-0.757,-0.757,-0.758,-0.758,-0.759,-0.759,-0.760,\n &-0.761,-0.761,-0.762,-0.762,-0.763,-0.763,-0.764,-0.764,-0.765,\n &-0.765,-0.766,-0.766,-0.767,-0.767,-0.768,-0.768,-0.769,-0.769,\n &-0.770,-0.770,-0.771,-0.771,-0.772,-0.772,-0.772,-0.773,-0.773,\n &-0.774,-0.774,-0.775,-0.775,-0.776,-0.776,-0.776,-0.777,-0.777,\n &-0.778,-0.778,-0.778,-0.779,-0.779,-0.780,-0.780,-0.780,-0.781,\n &-0.781,-0.781,-0.782,-0.782,-0.783,-0.783,-0.783,-0.784,-0.784,\n &-0.784,-0.785,-0.785,-0.785,-0.786,-0.786,-0.786,-0.787,-0.787,\n &-0.787,-0.788,-0.788,-0.788,-0.789,-0.789,-0.789,-0.790,-0.790,\n &-0.790,-0.790,-0.791,-0.791,-0.791,-0.792,-0.792,-0.792,-0.793,\n &-0.793,-0.793,-0.793,-0.794,-0.794,-0.794,-0.794,-0.795,-0.795,\n &-0.795,-0.795,-0.796,-0.796,-0.796,-0.796,-0.797,-0.797,-0.797,\n &-0.797,-0.798,-0.798,-0.798,-0.798,-0.799,-0.799,-0.799,-0.799,\n &-0.800,-0.800,-0.800,-0.800,-0.800,-0.801,-0.801,-0.801,-0.801,\n &-0.801,-0.802,-0.802,-0.802,-0.802,-0.802,-0.803,-0.803,-0.803,\n &-0.803,-0.803,-0.804,-0.804,-0.804,-0.804,-0.804,-0.804,-0.805,\n &-0.805,-0.805,-0.805,-0.805,-0.806,-0.806,-0.806,-0.806,-0.806,\n &-0.806,-0.806,-0.807,-0.807,-0.807,-0.807,-0.807,-0.807,-0.808,\n &-0.808,-0.808,-0.808,-0.808,-0.808,-0.808,-0.809,-0.809,-0.809,\n &-0.809,-0.809,-0.809,-0.809,-0.810,-0.810,-0.810,-0.810,-0.810,\n &-0.810,-0.810,-0.810,-0.810,-0.811,-0.811,-0.811,-0.811,-0.811,\n &-0.811,-0.811,-0.811,-0.812,-0.812,-0.812,-0.812,-0.812,-0.812,\n &-0.812,-0.812,-0.812,-0.812,-0.813,-0.813,-0.813,-0.813,-0.813,\n &-0.813,-0.813,-0.813,-0.813,-0.813,-0.813,-0.814,-0.814,-0.814,\n &-0.814,-0.814,-0.814,-0.814,-0.814,-0.814,-0.814,-0.814,-0.814,\n &-0.814,-0.815,-0.815,-0.815,-0.815,-0.815,-0.815,-0.815,-0.815,\n &-0.815,-0.815,-0.815,-0.815,-0.816,-0.816,-0.817,-0.817,-0.817,\n &-0.817,-0.817,-0.817,-0.817,-0.817,-0.817,-0.817,-0.816,-0.816,\n &-0.816,-0.815,-0.815,-0.814,-0.813,-0.813,-0.812,-0.811,-0.811,\n &-0.810,-0.809,-0.808,-0.807,-0.806,-0.805,-0.804,-0.803,-0.802,\n &-0.801,-0.800,-0.799,-0.797,-0.796,-0.795,-0.794,-0.792,-0.791,\n &-0.790,-0.788,-0.787,-0.786,-0.784,-0.783,-0.781,-0.780,-0.778,\n &-0.777,-0.775,-0.774,-0.772,-0.771,-0.769,-0.767,-0.766,-0.764,\n &-0.762,-0.761,-0.759,-0.757,-0.756,-0.754,-0.752,-0.750,-0.749,\n &-0.747,-0.745,-0.743,-0.741,-0.740,-0.738,-0.736,-0.734,-0.732,\n &-0.730,-0.728,-0.727,-0.725,-0.723,-0.721,-0.719,-0.717,-0.715,\n &-0.713,-0.711,-0.709,-0.707,-0.705,-0.703,-0.701,-0.699,-0.697,\n &-0.695,-0.693,-0.691,-0.689,-0.687,-0.685,-0.683,-0.681,-0.678,\n &-0.676,-0.674,-0.672,-0.670,-0.668,-0.666,-0.664,-0.661,-0.659,\n &-0.657,-0.655,-0.653,-0.651,-0.648,-0.646,-0.644,-0.642,-0.640,\n &-0.638,-0.635,-0.633,-0.631,-0.629,-0.626,-0.624,-0.622,-0.620,\n &-0.618,-0.615,-0.613,-0.611,-0.609,-0.606,-0.604,-0.602,-0.599,\n &-0.597,-0.595,-0.593,-0.590,-0.588,-0.586,-0.583,-0.581,-0.579,\n &-0.577,-0.574,-0.572,-0.570,-0.567,-0.565,-0.563,-0.560,-0.558,\n &-0.556,-0.553,-0.551\n & /\nC\nC *** NH4NO3\nC\n DATA BNC05M/\n &-0.046,-0.101,-0.129,-0.149,-0.166,-0.179,-0.191,-0.202,-0.211,\n &-0.220,-0.228,-0.235,-0.242,-0.249,-0.255,-0.261,-0.266,-0.272,\n &-0.277,-0.282,-0.286,-0.291,-0.295,-0.299,-0.303,-0.307,-0.311,\n &-0.315,-0.319,-0.322,-0.326,-0.329,-0.332,-0.335,-0.339,-0.342,\n &-0.345,-0.348,-0.350,-0.353,-0.356,-0.359,-0.361,-0.364,-0.366,\n &-0.369,-0.371,-0.374,-0.376,-0.378,-0.380,-0.383,-0.385,-0.387,\n &-0.389,-0.391,-0.393,-0.395,-0.397,-0.399,-0.401,-0.403,-0.405,\n &-0.406,-0.408,-0.410,-0.412,-0.414,-0.415,-0.417,-0.419,-0.420,\n &-0.422,-0.424,-0.425,-0.427,-0.428,-0.430,-0.432,-0.433,-0.435,\n &-0.436,-0.438,-0.439,-0.441,-0.442,-0.444,-0.445,-0.447,-0.448,\n &-0.449,-0.451,-0.452,-0.454,-0.455,-0.456,-0.458,-0.459,-0.461,\n &-0.462,-0.463,-0.465,-0.466,-0.467,-0.469,-0.470,-0.471,-0.473,\n &-0.474,-0.475,-0.477,-0.478,-0.479,-0.480,-0.482,-0.483,-0.484,\n &-0.485,-0.487,-0.488,-0.489,-0.490,-0.492,-0.493,-0.494,-0.495,\n &-0.496,-0.498,-0.499,-0.500,-0.501,-0.502,-0.503,-0.504,-0.506,\n &-0.507,-0.508,-0.509,-0.510,-0.511,-0.512,-0.513,-0.514,-0.515,\n &-0.516,-0.517,-0.519,-0.520,-0.521,-0.522,-0.523,-0.524,-0.525,\n &-0.526,-0.527,-0.528,-0.529,-0.530,-0.531,-0.532,-0.533,-0.534,\n &-0.535,-0.535,-0.536,-0.537,-0.538,-0.539,-0.540,-0.541,-0.542,\n &-0.543,-0.544,-0.545,-0.546,-0.547,-0.547,-0.548,-0.549,-0.550,\n &-0.551,-0.552,-0.553,-0.553,-0.554,-0.555,-0.556,-0.557,-0.558,\n &-0.559,-0.559,-0.560,-0.561,-0.562,-0.563,-0.563,-0.564,-0.565,\n &-0.566,-0.567,-0.567,-0.568,-0.569,-0.570,-0.570,-0.571,-0.572,\n &-0.573,-0.574,-0.574,-0.575,-0.576,-0.576,-0.577,-0.578,-0.579,\n &-0.579,-0.580,-0.581,-0.582,-0.582,-0.583,-0.584,-0.584,-0.585,\n &-0.586,-0.586,-0.587,-0.588,-0.589,-0.589,-0.590,-0.591,-0.591,\n &-0.592,-0.593,-0.593,-0.594,-0.595,-0.595,-0.596,-0.596,-0.597,\n &-0.598,-0.598,-0.599,-0.600,-0.600,-0.601,-0.602,-0.602,-0.603,\n &-0.603,-0.604,-0.605,-0.605,-0.606,-0.606,-0.607,-0.608,-0.608,\n &-0.609,-0.609,-0.610,-0.611,-0.611,-0.612,-0.612,-0.613,-0.613,\n &-0.614,-0.615,-0.615,-0.616,-0.616,-0.617,-0.617,-0.618,-0.618,\n &-0.619,-0.620,-0.620,-0.621,-0.621,-0.622,-0.622,-0.623,-0.623,\n &-0.624,-0.624,-0.625,-0.625,-0.626,-0.626,-0.627,-0.627,-0.628,\n &-0.628,-0.629,-0.629,-0.630,-0.630,-0.631,-0.631,-0.632,-0.632,\n &-0.633,-0.633,-0.634,-0.634,-0.635,-0.635,-0.636,-0.636,-0.637,\n &-0.637,-0.638,-0.638,-0.639,-0.639,-0.639,-0.640,-0.640,-0.641,\n &-0.641,-0.642,-0.642,-0.643,-0.643,-0.643,-0.644,-0.644,-0.645,\n &-0.645,-0.646,-0.646,-0.647,-0.647,-0.647,-0.648,-0.648,-0.649,\n &-0.649,-0.649,-0.650,-0.650,-0.651,-0.651,-0.652,-0.652,-0.652,\n &-0.653,-0.653,-0.654,-0.654,-0.654,-0.655,-0.655,-0.656,-0.656,\n &-0.656,-0.657,-0.657,-0.658,-0.658,-0.658,-0.659,-0.659,-0.659,\n &-0.660,-0.660,-0.661,-0.661,-0.661,-0.662,-0.662,-0.662,-0.663,\n &-0.663,-0.663,-0.664,-0.664,-0.665,-0.665,-0.665,-0.666,-0.666,\n &-0.666,-0.667,-0.667,-0.667,-0.668,-0.668,-0.668,-0.669,-0.669,\n &-0.669,-0.670,-0.670,-0.670,-0.674,-0.677,-0.680,-0.683,-0.686,\n &-0.688,-0.691,-0.693,-0.696,-0.698,-0.700,-0.702,-0.705,-0.706,\n &-0.708,-0.710,-0.712,-0.714,-0.715,-0.717,-0.718,-0.720,-0.721,\n &-0.722,-0.723,-0.725,-0.726,-0.727,-0.728,-0.729,-0.730,-0.731,\n &-0.732,-0.732,-0.733,-0.734,-0.735,-0.735,-0.736,-0.736,-0.737,\n &-0.737,-0.738,-0.738,-0.739,-0.739,-0.739,-0.740,-0.740,-0.740,\n &-0.741,-0.741,-0.741,-0.741,-0.741,-0.741,-0.741,-0.741,-0.741,\n &-0.741,-0.741,-0.741,-0.741,-0.741,-0.741,-0.741,-0.741,-0.741,\n &-0.741,-0.740,-0.740,-0.740,-0.740,-0.739,-0.739,-0.739,-0.739,\n &-0.738,-0.738,-0.738,-0.737,-0.737,-0.736,-0.736,-0.736,-0.735,\n &-0.735,-0.734,-0.734,-0.733,-0.733,-0.732,-0.732,-0.731,-0.731,\n &-0.730,-0.729,-0.729,-0.728,-0.728,-0.727,-0.726,-0.726,-0.725,\n &-0.725,-0.724,-0.723,-0.723,-0.722,-0.721,-0.721,-0.720,-0.719,\n &-0.718,-0.718,-0.717,-0.716,-0.715,-0.715,-0.714,-0.713,-0.712,\n &-0.711,-0.711,-0.710,-0.709,-0.708,-0.707,-0.707,-0.706,-0.705,\n &-0.704,-0.703,-0.702,-0.701,-0.701,-0.700,-0.699,-0.698,-0.697,\n &-0.696,-0.695,-0.694,-0.693,-0.692,-0.692,-0.691,-0.690,-0.689,\n &-0.688,-0.687,-0.686,-0.685,-0.684,-0.683,-0.682,-0.681,-0.680,\n &-0.679,-0.678,-0.677\n & /\nC\nC *** NH4Cl\nC\n DATA BNC06M/\n &-0.045,-0.096,-0.120,-0.136,-0.149,-0.159,-0.167,-0.174,-0.181,\n &-0.186,-0.191,-0.195,-0.199,-0.202,-0.205,-0.208,-0.210,-0.213,\n &-0.215,-0.217,-0.219,-0.220,-0.222,-0.223,-0.225,-0.226,-0.227,\n &-0.228,-0.229,-0.230,-0.231,-0.232,-0.232,-0.233,-0.234,-0.234,\n &-0.235,-0.235,-0.236,-0.236,-0.237,-0.237,-0.237,-0.238,-0.238,\n &-0.238,-0.238,-0.238,-0.239,-0.239,-0.239,-0.239,-0.239,-0.239,\n &-0.239,-0.239,-0.239,-0.239,-0.239,-0.239,-0.239,-0.239,-0.239,\n &-0.239,-0.239,-0.239,-0.239,-0.239,-0.239,-0.239,-0.238,-0.238,\n &-0.238,-0.238,-0.238,-0.238,-0.237,-0.237,-0.237,-0.237,-0.237,\n &-0.236,-0.236,-0.236,-0.235,-0.235,-0.235,-0.235,-0.234,-0.234,\n &-0.234,-0.233,-0.233,-0.233,-0.232,-0.232,-0.231,-0.231,-0.231,\n &-0.230,-0.230,-0.229,-0.229,-0.229,-0.228,-0.228,-0.227,-0.227,\n &-0.226,-0.226,-0.225,-0.225,-0.224,-0.224,-0.224,-0.223,-0.223,\n &-0.222,-0.222,-0.221,-0.221,-0.220,-0.219,-0.219,-0.218,-0.218,\n &-0.217,-0.217,-0.216,-0.216,-0.215,-0.215,-0.214,-0.214,-0.213,\n &-0.213,-0.212,-0.211,-0.211,-0.210,-0.210,-0.209,-0.209,-0.208,\n &-0.208,-0.207,-0.206,-0.206,-0.205,-0.205,-0.204,-0.204,-0.203,\n &-0.203,-0.202,-0.201,-0.201,-0.200,-0.200,-0.199,-0.199,-0.198,\n &-0.197,-0.197,-0.196,-0.196,-0.195,-0.195,-0.194,-0.193,-0.193,\n &-0.192,-0.192,-0.191,-0.191,-0.190,-0.189,-0.189,-0.188,-0.188,\n &-0.187,-0.186,-0.186,-0.185,-0.185,-0.184,-0.184,-0.183,-0.182,\n &-0.182,-0.181,-0.181,-0.180,-0.179,-0.179,-0.178,-0.178,-0.177,\n &-0.177,-0.176,-0.175,-0.175,-0.174,-0.174,-0.173,-0.172,-0.172,\n &-0.171,-0.171,-0.170,-0.170,-0.169,-0.168,-0.168,-0.167,-0.167,\n &-0.166,-0.165,-0.165,-0.164,-0.164,-0.163,-0.163,-0.162,-0.161,\n &-0.161,-0.160,-0.160,-0.159,-0.158,-0.158,-0.157,-0.157,-0.156,\n &-0.156,-0.155,-0.154,-0.154,-0.153,-0.153,-0.152,-0.151,-0.151,\n &-0.150,-0.150,-0.149,-0.149,-0.148,-0.147,-0.147,-0.146,-0.146,\n &-0.145,-0.145,-0.144,-0.143,-0.143,-0.142,-0.142,-0.141,-0.140,\n &-0.140,-0.139,-0.139,-0.138,-0.138,-0.137,-0.136,-0.136,-0.135,\n &-0.135,-0.134,-0.134,-0.133,-0.132,-0.132,-0.131,-0.131,-0.130,\n &-0.130,-0.129,-0.128,-0.128,-0.127,-0.127,-0.126,-0.126,-0.125,\n &-0.125,-0.124,-0.123,-0.123,-0.122,-0.122,-0.121,-0.121,-0.120,\n &-0.119,-0.119,-0.118,-0.118,-0.117,-0.117,-0.116,-0.115,-0.115,\n &-0.114,-0.114,-0.113,-0.113,-0.112,-0.112,-0.111,-0.110,-0.110,\n &-0.109,-0.109,-0.108,-0.108,-0.107,-0.107,-0.106,-0.105,-0.105,\n &-0.104,-0.104,-0.103,-0.103,-0.102,-0.102,-0.101,-0.100,-0.100,\n &-0.099,-0.099,-0.098,-0.098,-0.097,-0.097,-0.096,-0.096,-0.095,\n &-0.094,-0.094,-0.093,-0.093,-0.092,-0.092,-0.091,-0.091,-0.090,\n &-0.090,-0.089,-0.088,-0.088,-0.087,-0.087,-0.086,-0.086,-0.085,\n &-0.085,-0.084,-0.084,-0.083,-0.083,-0.082,-0.081,-0.081,-0.080,\n &-0.080,-0.079,-0.079,-0.078,-0.078,-0.077,-0.077,-0.076,-0.076,\n &-0.075,-0.074,-0.074,-0.073,-0.073,-0.072,-0.072,-0.071,-0.071,\n &-0.070,-0.070,-0.069,-0.069,-0.068,-0.068,-0.067,-0.067,-0.066,\n &-0.065,-0.065,-0.064,-0.064,-0.058,-0.053,-0.048,-0.043,-0.038,\n &-0.033,-0.028,-0.023,-0.018,-0.013,-0.008,-0.003, 0.002, 0.006,\n & 0.011, 0.016, 0.021, 0.025, 0.030, 0.035, 0.039, 0.044, 0.048,\n & 0.053, 0.057, 0.062, 0.066, 0.070, 0.075, 0.079, 0.083, 0.088,\n & 0.092, 0.096, 0.100, 0.105, 0.109, 0.113, 0.117, 0.121, 0.125,\n & 0.129, 0.133, 0.137, 0.141, 0.145, 0.149, 0.153, 0.157, 0.161,\n & 0.165, 0.169, 0.173, 0.176, 0.180, 0.184, 0.188, 0.192, 0.195,\n & 0.199, 0.203, 0.207, 0.210, 0.214, 0.218, 0.221, 0.225, 0.228,\n & 0.232, 0.236, 0.239, 0.243, 0.246, 0.250, 0.253, 0.257, 0.260,\n & 0.264, 0.267, 0.271, 0.274, 0.278, 0.281, 0.285, 0.288, 0.291,\n & 0.295, 0.298, 0.301, 0.305, 0.308, 0.311, 0.315, 0.318, 0.321,\n & 0.325, 0.328, 0.331, 0.334, 0.338, 0.341, 0.344, 0.347, 0.350,\n & 0.354, 0.357, 0.360, 0.363, 0.366, 0.369, 0.373, 0.376, 0.379,\n & 0.382, 0.385, 0.388, 0.391, 0.394, 0.397, 0.400, 0.403, 0.406,\n & 0.409, 0.412, 0.416, 0.419, 0.422, 0.425, 0.428, 0.430, 0.433,\n & 0.436, 0.439, 0.442, 0.445, 0.448, 0.451, 0.454, 0.457, 0.460,\n & 0.463, 0.466, 0.469, 0.471, 0.474, 0.477, 0.480, 0.483, 0.486,\n & 0.489, 0.491, 0.494, 0.497, 0.500, 0.503, 0.506, 0.508, 0.511,\n & 0.514, 0.517, 0.520\n & /\nC\nC *** (2H,SO4)\nC\n DATA BNC07M/\n &-0.091,-0.196,-0.248,-0.284,-0.312,-0.336,-0.355,-0.372,-0.388,\n &-0.401,-0.414,-0.425,-0.435,-0.445,-0.453,-0.462,-0.469,-0.477,\n &-0.484,-0.490,-0.496,-0.502,-0.508,-0.513,-0.518,-0.523,-0.528,\n &-0.532,-0.536,-0.540,-0.544,-0.548,-0.552,-0.556,-0.559,-0.562,\n &-0.566,-0.569,-0.572,-0.575,-0.578,-0.580,-0.583,-0.586,-0.588,\n &-0.591,-0.593,-0.595,-0.598,-0.600,-0.602,-0.604,-0.606,-0.608,\n &-0.610,-0.612,-0.614,-0.616,-0.618,-0.620,-0.621,-0.623,-0.625,\n &-0.626,-0.628,-0.629,-0.631,-0.632,-0.634,-0.635,-0.637,-0.638,\n &-0.639,-0.641,-0.642,-0.643,-0.644,-0.646,-0.647,-0.648,-0.649,\n &-0.650,-0.652,-0.653,-0.654,-0.655,-0.656,-0.657,-0.658,-0.659,\n &-0.660,-0.661,-0.662,-0.663,-0.664,-0.665,-0.666,-0.666,-0.667,\n &-0.668,-0.669,-0.670,-0.671,-0.671,-0.672,-0.673,-0.674,-0.675,\n &-0.675,-0.676,-0.677,-0.678,-0.678,-0.679,-0.680,-0.680,-0.681,\n &-0.682,-0.682,-0.683,-0.684,-0.684,-0.685,-0.686,-0.686,-0.687,\n &-0.687,-0.688,-0.689,-0.689,-0.690,-0.690,-0.691,-0.691,-0.692,\n &-0.692,-0.693,-0.693,-0.694,-0.694,-0.695,-0.695,-0.696,-0.696,\n &-0.697,-0.697,-0.698,-0.698,-0.699,-0.699,-0.700,-0.700,-0.700,\n &-0.701,-0.701,-0.702,-0.702,-0.702,-0.703,-0.703,-0.704,-0.704,\n &-0.704,-0.705,-0.705,-0.705,-0.706,-0.706,-0.706,-0.707,-0.707,\n &-0.707,-0.708,-0.708,-0.708,-0.709,-0.709,-0.709,-0.710,-0.710,\n &-0.710,-0.711,-0.711,-0.711,-0.711,-0.712,-0.712,-0.712,-0.712,\n &-0.713,-0.713,-0.713,-0.713,-0.714,-0.714,-0.714,-0.714,-0.715,\n &-0.715,-0.715,-0.715,-0.716,-0.716,-0.716,-0.716,-0.716,-0.717,\n &-0.717,-0.717,-0.717,-0.717,-0.718,-0.718,-0.718,-0.718,-0.718,\n &-0.719,-0.719,-0.719,-0.719,-0.719,-0.719,-0.720,-0.720,-0.720,\n &-0.720,-0.720,-0.720,-0.720,-0.721,-0.721,-0.721,-0.721,-0.721,\n &-0.721,-0.721,-0.722,-0.722,-0.722,-0.722,-0.722,-0.722,-0.722,\n &-0.722,-0.723,-0.723,-0.723,-0.723,-0.723,-0.723,-0.723,-0.723,\n &-0.723,-0.723,-0.724,-0.724,-0.724,-0.724,-0.724,-0.724,-0.724,\n &-0.724,-0.724,-0.724,-0.724,-0.724,-0.725,-0.725,-0.725,-0.725,\n &-0.725,-0.725,-0.725,-0.725,-0.725,-0.725,-0.725,-0.725,-0.725,\n &-0.725,-0.725,-0.725,-0.726,-0.726,-0.726,-0.726,-0.726,-0.726,\n &-0.726,-0.726,-0.726,-0.726,-0.726,-0.726,-0.726,-0.726,-0.726,\n &-0.726,-0.726,-0.726,-0.726,-0.726,-0.726,-0.726,-0.726,-0.726,\n &-0.726,-0.726,-0.726,-0.726,-0.726,-0.726,-0.726,-0.726,-0.726,\n &-0.726,-0.726,-0.726,-0.726,-0.726,-0.726,-0.726,-0.726,-0.726,\n &-0.726,-0.726,-0.726,-0.726,-0.726,-0.726,-0.726,-0.726,-0.726,\n &-0.726,-0.726,-0.726,-0.726,-0.726,-0.726,-0.726,-0.726,-0.726,\n &-0.726,-0.726,-0.726,-0.726,-0.726,-0.726,-0.726,-0.726,-0.726,\n &-0.726,-0.726,-0.726,-0.726,-0.726,-0.726,-0.725,-0.725,-0.725,\n &-0.725,-0.725,-0.725,-0.725,-0.725,-0.725,-0.725,-0.725,-0.725,\n &-0.725,-0.725,-0.725,-0.725,-0.725,-0.725,-0.725,-0.725,-0.725,\n &-0.724,-0.724,-0.724,-0.724,-0.724,-0.724,-0.724,-0.724,-0.724,\n &-0.724,-0.724,-0.724,-0.724,-0.724,-0.724,-0.724,-0.723,-0.723,\n &-0.723,-0.723,-0.723,-0.723,-0.722,-0.721,-0.721,-0.720,-0.719,\n &-0.717,-0.716,-0.715,-0.714,-0.713,-0.711,-0.710,-0.709,-0.707,\n &-0.706,-0.704,-0.703,-0.701,-0.700,-0.698,-0.696,-0.695,-0.693,\n &-0.691,-0.689,-0.688,-0.686,-0.684,-0.682,-0.680,-0.678,-0.676,\n &-0.675,-0.673,-0.671,-0.669,-0.667,-0.665,-0.663,-0.661,-0.658,\n &-0.656,-0.654,-0.652,-0.650,-0.648,-0.646,-0.644,-0.642,-0.639,\n &-0.637,-0.635,-0.633,-0.631,-0.628,-0.626,-0.624,-0.622,-0.619,\n &-0.617,-0.615,-0.612,-0.610,-0.608,-0.605,-0.603,-0.601,-0.598,\n &-0.596,-0.594,-0.591,-0.589,-0.587,-0.584,-0.582,-0.579,-0.577,\n &-0.575,-0.572,-0.570,-0.567,-0.565,-0.563,-0.560,-0.558,-0.555,\n &-0.553,-0.550,-0.548,-0.545,-0.543,-0.540,-0.538,-0.535,-0.533,\n &-0.530,-0.528,-0.525,-0.523,-0.520,-0.518,-0.515,-0.513,-0.510,\n &-0.508,-0.505,-0.503,-0.500,-0.498,-0.495,-0.493,-0.490,-0.487,\n &-0.485,-0.482,-0.480,-0.477,-0.475,-0.472,-0.470,-0.467,-0.464,\n &-0.462,-0.459,-0.457,-0.454,-0.451,-0.449,-0.446,-0.444,-0.441,\n &-0.438,-0.436,-0.433,-0.431,-0.428,-0.425,-0.423,-0.420,-0.418,\n &-0.415,-0.412,-0.410,-0.407,-0.404,-0.402,-0.399,-0.397,-0.394,\n &-0.391,-0.389,-0.386,-0.383,-0.381,-0.378,-0.375,-0.373,-0.370,\n &-0.367,-0.365,-0.362\n & /\nC\nC *** (H,HSO4)\nC\n DATA BNC08M/\n &-0.043,-0.086,-0.105,-0.116,-0.123,-0.128,-0.131,-0.134,-0.135,\n &-0.136,-0.136,-0.135,-0.134,-0.133,-0.131,-0.129,-0.127,-0.124,\n &-0.122,-0.118,-0.115,-0.112,-0.108,-0.104,-0.100,-0.096,-0.092,\n &-0.088,-0.083,-0.079,-0.074,-0.069,-0.064,-0.059,-0.054,-0.048,\n &-0.043,-0.037,-0.032,-0.026,-0.021,-0.015,-0.009,-0.003, 0.003,\n & 0.009, 0.015, 0.021, 0.027, 0.034, 0.040, 0.046, 0.053, 0.059,\n & 0.066, 0.072, 0.079, 0.086, 0.092, 0.099, 0.106, 0.112, 0.119,\n & 0.126, 0.133, 0.140, 0.147, 0.154, 0.161, 0.168, 0.175, 0.182,\n & 0.189, 0.196, 0.204, 0.211, 0.218, 0.226, 0.233, 0.240, 0.248,\n & 0.255, 0.263, 0.270, 0.278, 0.286, 0.293, 0.301, 0.309, 0.317,\n & 0.324, 0.332, 0.340, 0.348, 0.356, 0.364, 0.372, 0.380, 0.389,\n & 0.397, 0.405, 0.413, 0.421, 0.430, 0.438, 0.446, 0.455, 0.463,\n & 0.471, 0.480, 0.488, 0.497, 0.505, 0.514, 0.522, 0.530, 0.539,\n & 0.547, 0.556, 0.564, 0.573, 0.581, 0.590, 0.598, 0.607, 0.615,\n & 0.624, 0.632, 0.641, 0.649, 0.658, 0.666, 0.675, 0.683, 0.692,\n & 0.700, 0.708, 0.717, 0.725, 0.734, 0.742, 0.750, 0.759, 0.767,\n & 0.775, 0.784, 0.792, 0.800, 0.808, 0.817, 0.825, 0.833, 0.841,\n & 0.849, 0.858, 0.866, 0.874, 0.882, 0.890, 0.898, 0.906, 0.915,\n & 0.923, 0.931, 0.939, 0.947, 0.955, 0.963, 0.971, 0.979, 0.986,\n & 0.994, 1.002, 1.010, 1.018, 1.026, 1.034, 1.042, 1.049, 1.057,\n & 1.065, 1.073, 1.080, 1.088, 1.096, 1.104, 1.111, 1.119, 1.127,\n & 1.134, 1.142, 1.150, 1.157, 1.165, 1.172, 1.180, 1.187, 1.195,\n & 1.202, 1.210, 1.217, 1.225, 1.232, 1.240, 1.247, 1.254, 1.262,\n & 1.269, 1.276, 1.284, 1.291, 1.298, 1.306, 1.313, 1.320, 1.327,\n & 1.335, 1.342, 1.349, 1.356, 1.363, 1.371, 1.378, 1.385, 1.392,\n & 1.399, 1.406, 1.413, 1.420, 1.427, 1.434, 1.441, 1.448, 1.455,\n & 1.462, 1.469, 1.476, 1.483, 1.490, 1.497, 1.504, 1.510, 1.517,\n & 1.524, 1.531, 1.538, 1.545, 1.551, 1.558, 1.565, 1.572, 1.578,\n & 1.585, 1.592, 1.598, 1.605, 1.612, 1.618, 1.625, 1.632, 1.638,\n & 1.645, 1.651, 1.658, 1.664, 1.671, 1.678, 1.684, 1.691, 1.697,\n & 1.704, 1.710, 1.716, 1.723, 1.729, 1.736, 1.742, 1.749, 1.755,\n & 1.761, 1.768, 1.774, 1.780, 1.787, 1.793, 1.799, 1.805, 1.812,\n & 1.818, 1.824, 1.830, 1.837, 1.843, 1.849, 1.855, 1.861, 1.868,\n & 1.874, 1.880, 1.886, 1.892, 1.898, 1.904, 1.910, 1.916, 1.923,\n & 1.929, 1.935, 1.941, 1.947, 1.953, 1.959, 1.965, 1.971, 1.977,\n & 1.983, 1.988, 1.994, 2.000, 2.006, 2.012, 2.018, 2.024, 2.030,\n & 2.036, 2.041, 2.047, 2.053, 2.059, 2.065, 2.070, 2.076, 2.082,\n & 2.088, 2.094, 2.099, 2.105, 2.111, 2.116, 2.122, 2.128, 2.134,\n & 2.139, 2.145, 2.150, 2.156, 2.162, 2.167, 2.173, 2.179, 2.184,\n & 2.190, 2.195, 2.201, 2.206, 2.212, 2.218, 2.223, 2.229, 2.234,\n & 2.240, 2.245, 2.251, 2.256, 2.261, 2.267, 2.272, 2.278, 2.283,\n & 2.289, 2.294, 2.299, 2.305, 2.310, 2.316, 2.321, 2.326, 2.332,\n & 2.337, 2.342, 2.348, 2.353, 2.358, 2.364, 2.369, 2.374, 2.379,\n & 2.385, 2.390, 2.395, 2.400, 2.406, 2.411, 2.416, 2.421, 2.426,\n & 2.432, 2.437, 2.442, 2.447, 2.502, 2.553, 2.602, 2.651, 2.699,\n & 2.746, 2.793, 2.839, 2.884, 2.929, 2.973, 3.017, 3.060, 3.102,\n & 3.144, 3.186, 3.227, 3.267, 3.307, 3.346, 3.385, 3.424, 3.462,\n & 3.499, 3.536, 3.573, 3.610, 3.646, 3.681, 3.716, 3.751, 3.786,\n & 3.820, 3.854, 3.887, 3.920, 3.953, 3.985, 4.018, 4.049, 4.081,\n & 4.112, 4.143, 4.174, 4.204, 4.234, 4.264, 4.294, 4.323, 4.352,\n & 4.381, 4.410, 4.438, 4.466, 4.494, 4.522, 4.549, 4.577, 4.604,\n & 4.630, 4.657, 4.683, 4.710, 4.736, 4.761, 4.787, 4.812, 4.838,\n & 4.863, 4.888, 4.912, 4.937, 4.961, 4.985, 5.009, 5.033, 5.057,\n & 5.080, 5.104, 5.127, 5.150, 5.173, 5.196, 5.218, 5.241, 5.263,\n & 5.285, 5.307, 5.329, 5.351, 5.372, 5.394, 5.415, 5.436, 5.457,\n & 5.478, 5.499, 5.520, 5.541, 5.561, 5.581, 5.602, 5.622, 5.642,\n & 5.662, 5.682, 5.701, 5.721, 5.740, 5.760, 5.779, 5.798, 5.817,\n & 5.836, 5.855, 5.874, 5.892, 5.911, 5.929, 5.948, 5.966, 5.984,\n & 6.002, 6.020, 6.038, 6.056, 6.074, 6.092, 6.109, 6.127, 6.144,\n & 6.161, 6.179, 6.196, 6.213, 6.230, 6.247, 6.264, 6.280, 6.297,\n & 6.314, 6.330, 6.347, 6.363, 6.379, 6.396, 6.412, 6.428, 6.444,\n & 6.460, 6.476, 6.492, 6.507, 6.523, 6.539, 6.554, 6.570, 6.585,\n & 6.600, 6.616, 6.631\n & /\nC\nC *** NH4HSO4\nC\n DATA BNC09M/\n &-0.045,-0.095,-0.119,-0.135,-0.147,-0.157,-0.166,-0.173,-0.179,\n &-0.184,-0.189,-0.193,-0.196,-0.200,-0.203,-0.205,-0.208,-0.210,\n &-0.212,-0.213,-0.215,-0.216,-0.217,-0.218,-0.219,-0.219,-0.220,\n &-0.220,-0.221,-0.221,-0.221,-0.221,-0.221,-0.221,-0.220,-0.220,\n &-0.219,-0.219,-0.218,-0.217,-0.217,-0.216,-0.215,-0.214,-0.213,\n &-0.212,-0.211,-0.210,-0.208,-0.207,-0.206,-0.204,-0.203,-0.201,\n &-0.200,-0.198,-0.197,-0.195,-0.193,-0.192,-0.190,-0.188,-0.186,\n &-0.185,-0.183,-0.181,-0.179,-0.177,-0.175,-0.173,-0.171,-0.169,\n &-0.167,-0.165,-0.162,-0.160,-0.158,-0.156,-0.154,-0.151,-0.149,\n &-0.147,-0.144,-0.142,-0.140,-0.137,-0.135,-0.132,-0.130,-0.127,\n &-0.125,-0.122,-0.120,-0.117,-0.115,-0.112,-0.109,-0.107,-0.104,\n &-0.101,-0.099,-0.096,-0.093,-0.091,-0.088,-0.085,-0.082,-0.079,\n &-0.077,-0.074,-0.071,-0.068,-0.065,-0.063,-0.060,-0.057,-0.054,\n &-0.051,-0.048,-0.046,-0.043,-0.040,-0.037,-0.034,-0.031,-0.028,\n &-0.025,-0.023,-0.020,-0.017,-0.014,-0.011,-0.008,-0.005,-0.003,\n & 0.000, 0.003, 0.006, 0.009, 0.012, 0.014, 0.017, 0.020, 0.023,\n & 0.026, 0.029, 0.031, 0.034, 0.037, 0.040, 0.043, 0.045, 0.048,\n & 0.051, 0.054, 0.057, 0.059, 0.062, 0.065, 0.068, 0.070, 0.073,\n & 0.076, 0.079, 0.081, 0.084, 0.087, 0.089, 0.092, 0.095, 0.098,\n & 0.100, 0.103, 0.106, 0.108, 0.111, 0.114, 0.116, 0.119, 0.122,\n & 0.124, 0.127, 0.130, 0.132, 0.135, 0.137, 0.140, 0.143, 0.145,\n & 0.148, 0.150, 0.153, 0.156, 0.158, 0.161, 0.163, 0.166, 0.168,\n & 0.171, 0.174, 0.176, 0.179, 0.181, 0.184, 0.186, 0.189, 0.191,\n & 0.194, 0.196, 0.199, 0.201, 0.204, 0.206, 0.209, 0.211, 0.214,\n & 0.216, 0.219, 0.221, 0.223, 0.226, 0.228, 0.231, 0.233, 0.236,\n & 0.238, 0.240, 0.243, 0.245, 0.248, 0.250, 0.252, 0.255, 0.257,\n & 0.260, 0.262, 0.264, 0.267, 0.269, 0.271, 0.274, 0.276, 0.278,\n & 0.281, 0.283, 0.285, 0.288, 0.290, 0.292, 0.295, 0.297, 0.299,\n & 0.302, 0.304, 0.306, 0.308, 0.311, 0.313, 0.315, 0.317, 0.320,\n & 0.322, 0.324, 0.326, 0.329, 0.331, 0.333, 0.335, 0.338, 0.340,\n & 0.342, 0.344, 0.346, 0.349, 0.351, 0.353, 0.355, 0.357, 0.360,\n & 0.362, 0.364, 0.366, 0.368, 0.371, 0.373, 0.375, 0.377, 0.379,\n & 0.381, 0.383, 0.386, 0.388, 0.390, 0.392, 0.394, 0.396, 0.398,\n & 0.400, 0.403, 0.405, 0.407, 0.409, 0.411, 0.413, 0.415, 0.417,\n & 0.419, 0.421, 0.423, 0.426, 0.428, 0.430, 0.432, 0.434, 0.436,\n & 0.438, 0.440, 0.442, 0.444, 0.446, 0.448, 0.450, 0.452, 0.454,\n & 0.456, 0.458, 0.460, 0.462, 0.464, 0.466, 0.468, 0.470, 0.472,\n & 0.474, 0.476, 0.478, 0.480, 0.482, 0.484, 0.486, 0.488, 0.490,\n & 0.492, 0.494, 0.496, 0.498, 0.500, 0.502, 0.504, 0.506, 0.508,\n & 0.510, 0.511, 0.513, 0.515, 0.517, 0.519, 0.521, 0.523, 0.525,\n & 0.527, 0.529, 0.531, 0.533, 0.534, 0.536, 0.538, 0.540, 0.542,\n & 0.544, 0.546, 0.548, 0.549, 0.551, 0.553, 0.555, 0.557, 0.559,\n & 0.561, 0.563, 0.564, 0.566, 0.568, 0.570, 0.572, 0.574, 0.575,\n & 0.577, 0.579, 0.581, 0.583, 0.585, 0.586, 0.588, 0.590, 0.592,\n & 0.594, 0.595, 0.597, 0.599, 0.618, 0.636, 0.653, 0.670, 0.687,\n & 0.704, 0.721, 0.737, 0.753, 0.769, 0.784, 0.800, 0.815, 0.830,\n & 0.845, 0.860, 0.875, 0.889, 0.904, 0.918, 0.932, 0.946, 0.959,\n & 0.973, 0.986, 1.000, 1.013, 1.026, 1.039, 1.052, 1.065, 1.077,\n & 1.090, 1.102, 1.114, 1.126, 1.138, 1.150, 1.162, 1.174, 1.186,\n & 1.197, 1.209, 1.220, 1.231, 1.242, 1.254, 1.265, 1.276, 1.286,\n & 1.297, 1.308, 1.318, 1.329, 1.339, 1.350, 1.360, 1.370, 1.381,\n & 1.391, 1.401, 1.411, 1.421, 1.430, 1.440, 1.450, 1.459, 1.469,\n & 1.479, 1.488, 1.497, 1.507, 1.516, 1.525, 1.534, 1.544, 1.553,\n & 1.562, 1.571, 1.579, 1.588, 1.597, 1.606, 1.615, 1.623, 1.632,\n & 1.640, 1.649, 1.657, 1.666, 1.674, 1.683, 1.691, 1.699, 1.707,\n & 1.715, 1.724, 1.732, 1.740, 1.748, 1.756, 1.764, 1.771, 1.779,\n & 1.787, 1.795, 1.803, 1.810, 1.818, 1.826, 1.833, 1.841, 1.848,\n & 1.856, 1.863, 1.871, 1.878, 1.885, 1.893, 1.900, 1.907, 1.915,\n & 1.922, 1.929, 1.936, 1.943, 1.950, 1.957, 1.964, 1.971, 1.978,\n & 1.985, 1.992, 1.999, 2.006, 2.013, 2.019, 2.026, 2.033, 2.040,\n & 2.046, 2.053, 2.060, 2.066, 2.073, 2.079, 2.086, 2.093, 2.099,\n & 2.105, 2.112, 2.118, 2.125, 2.131, 2.138, 2.144, 2.150, 2.156,\n & 2.163, 2.169, 2.175\n & /\nC\nC *** (H,NO3)\nC\n DATA BNC10M/\n &-0.044,-0.092,-0.113,-0.127,-0.137,-0.145,-0.151,-0.156,-0.160,\n &-0.163,-0.165,-0.167,-0.169,-0.170,-0.171,-0.172,-0.172,-0.172,\n &-0.172,-0.172,-0.172,-0.172,-0.171,-0.171,-0.170,-0.169,-0.168,\n &-0.167,-0.166,-0.165,-0.164,-0.163,-0.162,-0.160,-0.159,-0.158,\n &-0.156,-0.155,-0.153,-0.152,-0.151,-0.149,-0.147,-0.146,-0.144,\n &-0.143,-0.141,-0.140,-0.138,-0.136,-0.135,-0.133,-0.131,-0.130,\n &-0.128,-0.126,-0.125,-0.123,-0.121,-0.120,-0.118,-0.116,-0.114,\n &-0.113,-0.111,-0.109,-0.107,-0.106,-0.104,-0.102,-0.100,-0.099,\n &-0.097,-0.095,-0.093,-0.091,-0.089,-0.088,-0.086,-0.084,-0.082,\n &-0.080,-0.078,-0.076,-0.074,-0.072,-0.070,-0.068,-0.066,-0.064,\n &-0.062,-0.060,-0.058,-0.056,-0.054,-0.052,-0.050,-0.048,-0.045,\n &-0.043,-0.041,-0.039,-0.037,-0.035,-0.032,-0.030,-0.028,-0.026,\n &-0.024,-0.021,-0.019,-0.017,-0.015,-0.012,-0.010,-0.008,-0.006,\n &-0.003,-0.001, 0.001, 0.004, 0.006, 0.008, 0.010, 0.013, 0.015,\n & 0.017, 0.020, 0.022, 0.024, 0.027, 0.029, 0.031, 0.033, 0.036,\n & 0.038, 0.040, 0.043, 0.045, 0.047, 0.049, 0.052, 0.054, 0.056,\n & 0.059, 0.061, 0.063, 0.066, 0.068, 0.070, 0.072, 0.075, 0.077,\n & 0.079, 0.081, 0.084, 0.086, 0.088, 0.091, 0.093, 0.095, 0.097,\n & 0.100, 0.102, 0.104, 0.106, 0.109, 0.111, 0.113, 0.115, 0.118,\n & 0.120, 0.122, 0.124, 0.127, 0.129, 0.131, 0.133, 0.135, 0.138,\n & 0.140, 0.142, 0.144, 0.147, 0.149, 0.151, 0.153, 0.155, 0.158,\n & 0.160, 0.162, 0.164, 0.166, 0.169, 0.171, 0.173, 0.175, 0.177,\n & 0.179, 0.182, 0.184, 0.186, 0.188, 0.190, 0.192, 0.195, 0.197,\n & 0.199, 0.201, 0.203, 0.205, 0.207, 0.210, 0.212, 0.214, 0.216,\n & 0.218, 0.220, 0.222, 0.224, 0.227, 0.229, 0.231, 0.233, 0.235,\n & 0.237, 0.239, 0.241, 0.243, 0.245, 0.248, 0.250, 0.252, 0.254,\n & 0.256, 0.258, 0.260, 0.262, 0.264, 0.266, 0.268, 0.270, 0.272,\n & 0.274, 0.276, 0.278, 0.281, 0.283, 0.285, 0.287, 0.289, 0.291,\n & 0.293, 0.295, 0.297, 0.299, 0.301, 0.303, 0.305, 0.307, 0.309,\n & 0.311, 0.313, 0.315, 0.317, 0.319, 0.321, 0.323, 0.325, 0.327,\n & 0.329, 0.331, 0.333, 0.335, 0.337, 0.339, 0.341, 0.343, 0.344,\n & 0.346, 0.348, 0.350, 0.352, 0.354, 0.356, 0.358, 0.360, 0.362,\n & 0.364, 0.366, 0.368, 0.370, 0.372, 0.373, 0.375, 0.377, 0.379,\n & 0.381, 0.383, 0.385, 0.387, 0.389, 0.391, 0.393, 0.394, 0.396,\n & 0.398, 0.400, 0.402, 0.404, 0.406, 0.408, 0.409, 0.411, 0.413,\n & 0.415, 0.417, 0.419, 0.421, 0.422, 0.424, 0.426, 0.428, 0.430,\n & 0.432, 0.433, 0.435, 0.437, 0.439, 0.441, 0.443, 0.444, 0.446,\n & 0.448, 0.450, 0.452, 0.454, 0.455, 0.457, 0.459, 0.461, 0.463,\n & 0.464, 0.466, 0.468, 0.470, 0.471, 0.473, 0.475, 0.477, 0.479,\n & 0.480, 0.482, 0.484, 0.486, 0.487, 0.489, 0.491, 0.493, 0.494,\n & 0.496, 0.498, 0.500, 0.501, 0.503, 0.505, 0.507, 0.508, 0.510,\n & 0.512, 0.514, 0.515, 0.517, 0.519, 0.521, 0.522, 0.524, 0.526,\n & 0.527, 0.529, 0.531, 0.533, 0.534, 0.536, 0.538, 0.539, 0.541,\n & 0.543, 0.544, 0.546, 0.548, 0.549, 0.551, 0.553, 0.554, 0.556,\n & 0.558, 0.560, 0.561, 0.563, 0.581, 0.597, 0.613, 0.629, 0.645,\n & 0.660, 0.676, 0.691, 0.706, 0.721, 0.736, 0.750, 0.765, 0.779,\n & 0.793, 0.807, 0.820, 0.834, 0.848, 0.861, 0.874, 0.887, 0.900,\n & 0.913, 0.926, 0.938, 0.951, 0.963, 0.975, 0.987, 0.999, 1.011,\n & 1.023, 1.035, 1.046, 1.058, 1.069, 1.081, 1.092, 1.103, 1.114,\n & 1.125, 1.136, 1.147, 1.157, 1.168, 1.178, 1.189, 1.199, 1.210,\n & 1.220, 1.230, 1.240, 1.250, 1.260, 1.270, 1.279, 1.289, 1.299,\n & 1.308, 1.318, 1.327, 1.337, 1.346, 1.355, 1.365, 1.374, 1.383,\n & 1.392, 1.401, 1.410, 1.419, 1.427, 1.436, 1.445, 1.454, 1.462,\n & 1.471, 1.479, 1.488, 1.496, 1.504, 1.513, 1.521, 1.529, 1.537,\n & 1.546, 1.554, 1.562, 1.570, 1.578, 1.586, 1.593, 1.601, 1.609,\n & 1.617, 1.624, 1.632, 1.640, 1.647, 1.655, 1.662, 1.670, 1.677,\n & 1.685, 1.692, 1.700, 1.707, 1.714, 1.721, 1.729, 1.736, 1.743,\n & 1.750, 1.757, 1.764, 1.771, 1.778, 1.785, 1.792, 1.799, 1.806,\n & 1.813, 1.820, 1.826, 1.833, 1.840, 1.847, 1.853, 1.860, 1.866,\n & 1.873, 1.880, 1.886, 1.893, 1.899, 1.906, 1.912, 1.918, 1.925,\n & 1.931, 1.938, 1.944, 1.950, 1.956, 1.963, 1.969, 1.975, 1.981,\n & 1.987, 1.994, 2.000, 2.006, 2.012, 2.018, 2.024, 2.030, 2.036,\n & 2.042, 2.048, 2.054\n & /\nC\nC *** (H,Cl)\nC\n DATA BNC11M/\n &-0.043,-0.087,-0.106,-0.117,-0.124,-0.130,-0.133,-0.135,-0.137,\n &-0.138,-0.138,-0.137,-0.136,-0.135,-0.134,-0.132,-0.130,-0.127,\n &-0.125,-0.122,-0.119,-0.116,-0.113,-0.110,-0.107,-0.103,-0.099,\n &-0.096,-0.092,-0.088,-0.084,-0.080,-0.076,-0.071,-0.067,-0.063,\n &-0.058,-0.054,-0.049,-0.045,-0.040,-0.036,-0.031,-0.027,-0.022,\n &-0.017,-0.012,-0.008,-0.003, 0.002, 0.007, 0.012, 0.017, 0.022,\n & 0.027, 0.031, 0.036, 0.041, 0.046, 0.051, 0.056, 0.061, 0.066,\n & 0.071, 0.077, 0.082, 0.087, 0.092, 0.097, 0.102, 0.107, 0.113,\n & 0.118, 0.123, 0.128, 0.134, 0.139, 0.144, 0.149, 0.155, 0.160,\n & 0.166, 0.171, 0.177, 0.182, 0.188, 0.193, 0.199, 0.204, 0.210,\n & 0.216, 0.221, 0.227, 0.233, 0.239, 0.244, 0.250, 0.256, 0.262,\n & 0.268, 0.274, 0.280, 0.286, 0.292, 0.298, 0.304, 0.310, 0.316,\n & 0.322, 0.328, 0.334, 0.340, 0.346, 0.352, 0.358, 0.364, 0.370,\n & 0.377, 0.383, 0.389, 0.395, 0.401, 0.407, 0.413, 0.420, 0.426,\n & 0.432, 0.438, 0.444, 0.450, 0.457, 0.463, 0.469, 0.475, 0.481,\n & 0.487, 0.493, 0.499, 0.505, 0.512, 0.518, 0.524, 0.530, 0.536,\n & 0.542, 0.548, 0.554, 0.560, 0.566, 0.572, 0.578, 0.584, 0.590,\n & 0.596, 0.602, 0.608, 0.614, 0.620, 0.626, 0.632, 0.638, 0.643,\n & 0.649, 0.655, 0.661, 0.667, 0.673, 0.679, 0.684, 0.690, 0.696,\n & 0.702, 0.708, 0.713, 0.719, 0.725, 0.731, 0.737, 0.742, 0.748,\n & 0.754, 0.759, 0.765, 0.771, 0.776, 0.782, 0.788, 0.793, 0.799,\n & 0.805, 0.810, 0.816, 0.821, 0.827, 0.833, 0.838, 0.844, 0.849,\n & 0.855, 0.860, 0.866, 0.871, 0.877, 0.882, 0.888, 0.893, 0.899,\n & 0.904, 0.909, 0.915, 0.920, 0.926, 0.931, 0.936, 0.942, 0.947,\n & 0.953, 0.958, 0.963, 0.969, 0.974, 0.979, 0.984, 0.990, 0.995,\n & 1.000, 1.005, 1.011, 1.016, 1.021, 1.026, 1.032, 1.037, 1.042,\n & 1.047, 1.052, 1.057, 1.062, 1.068, 1.073, 1.078, 1.083, 1.088,\n & 1.093, 1.098, 1.103, 1.108, 1.113, 1.118, 1.123, 1.128, 1.133,\n & 1.138, 1.143, 1.148, 1.153, 1.158, 1.163, 1.168, 1.173, 1.178,\n & 1.183, 1.188, 1.193, 1.198, 1.202, 1.207, 1.212, 1.217, 1.222,\n & 1.227, 1.232, 1.236, 1.241, 1.246, 1.251, 1.256, 1.260, 1.265,\n & 1.270, 1.275, 1.279, 1.284, 1.289, 1.293, 1.298, 1.303, 1.307,\n & 1.312, 1.317, 1.321, 1.326, 1.331, 1.335, 1.340, 1.345, 1.349,\n & 1.354, 1.358, 1.363, 1.368, 1.372, 1.377, 1.381, 1.386, 1.390,\n & 1.395, 1.399, 1.404, 1.408, 1.413, 1.417, 1.422, 1.426, 1.431,\n & 1.435, 1.440, 1.444, 1.449, 1.453, 1.457, 1.462, 1.466, 1.471,\n & 1.475, 1.479, 1.484, 1.488, 1.492, 1.497, 1.501, 1.506, 1.510,\n & 1.514, 1.518, 1.523, 1.527, 1.531, 1.536, 1.540, 1.544, 1.548,\n & 1.553, 1.557, 1.561, 1.565, 1.570, 1.574, 1.578, 1.582, 1.587,\n & 1.591, 1.595, 1.599, 1.603, 1.607, 1.612, 1.616, 1.620, 1.624,\n & 1.628, 1.632, 1.636, 1.640, 1.645, 1.649, 1.653, 1.657, 1.661,\n & 1.665, 1.669, 1.673, 1.677, 1.681, 1.685, 1.689, 1.693, 1.697,\n & 1.701, 1.705, 1.709, 1.713, 1.717, 1.721, 1.725, 1.729, 1.733,\n & 1.737, 1.741, 1.745, 1.749, 1.753, 1.757, 1.761, 1.765, 1.769,\n & 1.772, 1.776, 1.780, 1.784, 1.826, 1.864, 1.901, 1.938, 1.974,\n & 2.010, 2.045, 2.080, 2.114, 2.148, 2.181, 2.214, 2.246, 2.278,\n & 2.310, 2.341, 2.372, 2.403, 2.433, 2.463, 2.492, 2.522, 2.550,\n & 2.579, 2.607, 2.635, 2.663, 2.690, 2.717, 2.744, 2.770, 2.796,\n & 2.822, 2.848, 2.873, 2.898, 2.923, 2.948, 2.972, 2.996, 3.020,\n & 3.044, 3.068, 3.091, 3.114, 3.137, 3.160, 3.182, 3.205, 3.227,\n & 3.249, 3.271, 3.292, 3.314, 3.335, 3.356, 3.377, 3.398, 3.418,\n & 3.439, 3.459, 3.479, 3.499, 3.519, 3.539, 3.558, 3.578, 3.597,\n & 3.616, 3.635, 3.654, 3.673, 3.691, 3.710, 3.728, 3.746, 3.765,\n & 3.783, 3.800, 3.818, 3.836, 3.853, 3.871, 3.888, 3.905, 3.922,\n & 3.939, 3.956, 3.973, 3.990, 4.006, 4.023, 4.039, 4.055, 4.071,\n & 4.088, 4.104, 4.119, 4.135, 4.151, 4.167, 4.182, 4.198, 4.213,\n & 4.228, 4.243, 4.259, 4.274, 4.289, 4.304, 4.318, 4.333, 4.348,\n & 4.362, 4.377, 4.391, 4.406, 4.420, 4.434, 4.448, 4.462, 4.476,\n & 4.490, 4.504, 4.518, 4.532, 4.545, 4.559, 4.572, 4.586, 4.599,\n & 4.613, 4.626, 4.639, 4.652, 4.665, 4.678, 4.691, 4.704, 4.717,\n & 4.730, 4.743, 4.756, 4.768, 4.781, 4.793, 4.806, 4.818, 4.831,\n & 4.843, 4.855, 4.867, 4.880, 4.892, 4.904, 4.916, 4.928, 4.940,\n & 4.952, 4.964, 4.975\n & /\nC\nC *** NaHSO4\nC\n DATA BNC12M/\n &-0.044,-0.092,-0.113,-0.127,-0.138,-0.146,-0.152,-0.157,-0.162,\n &-0.165,-0.168,-0.170,-0.172,-0.174,-0.175,-0.176,-0.176,-0.177,\n &-0.177,-0.177,-0.176,-0.176,-0.176,-0.175,-0.174,-0.173,-0.172,\n &-0.171,-0.169,-0.168,-0.167,-0.165,-0.163,-0.161,-0.160,-0.158,\n &-0.156,-0.154,-0.151,-0.149,-0.147,-0.145,-0.142,-0.140,-0.137,\n &-0.135,-0.132,-0.130,-0.127,-0.124,-0.122,-0.119,-0.116,-0.113,\n &-0.110,-0.107,-0.104,-0.101,-0.098,-0.095,-0.092,-0.089,-0.086,\n &-0.083,-0.080,-0.076,-0.073,-0.070,-0.067,-0.063,-0.060,-0.057,\n &-0.053,-0.050,-0.046,-0.043,-0.039,-0.036,-0.032,-0.029,-0.025,\n &-0.021,-0.018,-0.014,-0.010,-0.007,-0.003, 0.001, 0.005, 0.009,\n & 0.012, 0.016, 0.020, 0.024, 0.028, 0.032, 0.036, 0.040, 0.044,\n & 0.048, 0.052, 0.056, 0.060, 0.064, 0.068, 0.073, 0.077, 0.081,\n & 0.085, 0.089, 0.093, 0.098, 0.102, 0.106, 0.110, 0.115, 0.119,\n & 0.123, 0.127, 0.131, 0.136, 0.140, 0.144, 0.148, 0.153, 0.157,\n & 0.161, 0.165, 0.170, 0.174, 0.178, 0.182, 0.187, 0.191, 0.195,\n & 0.199, 0.204, 0.208, 0.212, 0.216, 0.220, 0.225, 0.229, 0.233,\n & 0.237, 0.241, 0.245, 0.250, 0.254, 0.258, 0.262, 0.266, 0.270,\n & 0.274, 0.279, 0.283, 0.287, 0.291, 0.295, 0.299, 0.303, 0.307,\n & 0.311, 0.315, 0.319, 0.323, 0.327, 0.331, 0.335, 0.339, 0.343,\n & 0.347, 0.351, 0.355, 0.359, 0.363, 0.367, 0.371, 0.375, 0.379,\n & 0.383, 0.387, 0.391, 0.395, 0.399, 0.402, 0.406, 0.410, 0.414,\n & 0.418, 0.422, 0.426, 0.429, 0.433, 0.437, 0.441, 0.445, 0.449,\n & 0.452, 0.456, 0.460, 0.464, 0.467, 0.471, 0.475, 0.479, 0.482,\n & 0.486, 0.490, 0.494, 0.497, 0.501, 0.505, 0.508, 0.512, 0.516,\n & 0.519, 0.523, 0.527, 0.530, 0.534, 0.538, 0.541, 0.545, 0.548,\n & 0.552, 0.556, 0.559, 0.563, 0.566, 0.570, 0.573, 0.577, 0.581,\n & 0.584, 0.588, 0.591, 0.595, 0.598, 0.602, 0.605, 0.609, 0.612,\n & 0.616, 0.619, 0.623, 0.626, 0.630, 0.633, 0.636, 0.640, 0.643,\n & 0.647, 0.650, 0.654, 0.657, 0.660, 0.664, 0.667, 0.671, 0.674,\n & 0.677, 0.681, 0.684, 0.687, 0.691, 0.694, 0.697, 0.701, 0.704,\n & 0.707, 0.711, 0.714, 0.717, 0.721, 0.724, 0.727, 0.730, 0.734,\n & 0.737, 0.740, 0.743, 0.747, 0.750, 0.753, 0.756, 0.760, 0.763,\n & 0.766, 0.769, 0.773, 0.776, 0.779, 0.782, 0.785, 0.788, 0.792,\n & 0.795, 0.798, 0.801, 0.804, 0.807, 0.811, 0.814, 0.817, 0.820,\n & 0.823, 0.826, 0.829, 0.832, 0.835, 0.839, 0.842, 0.845, 0.848,\n & 0.851, 0.854, 0.857, 0.860, 0.863, 0.866, 0.869, 0.872, 0.875,\n & 0.878, 0.881, 0.884, 0.887, 0.890, 0.893, 0.896, 0.899, 0.902,\n & 0.905, 0.908, 0.911, 0.914, 0.917, 0.920, 0.923, 0.926, 0.929,\n & 0.932, 0.935, 0.938, 0.941, 0.944, 0.947, 0.949, 0.952, 0.955,\n & 0.958, 0.961, 0.964, 0.967, 0.970, 0.973, 0.975, 0.978, 0.981,\n & 0.984, 0.987, 0.990, 0.993, 0.995, 0.998, 1.001, 1.004, 1.007,\n & 1.010, 1.012, 1.015, 1.018, 1.021, 1.024, 1.026, 1.029, 1.032,\n & 1.035, 1.038, 1.040, 1.043, 1.046, 1.049, 1.051, 1.054, 1.057,\n & 1.060, 1.062, 1.065, 1.068, 1.071, 1.073, 1.076, 1.079, 1.082,\n & 1.084, 1.087, 1.090, 1.092, 1.121, 1.148, 1.174, 1.199, 1.225,\n & 1.250, 1.274, 1.299, 1.323, 1.346, 1.370, 1.393, 1.416, 1.438,\n & 1.461, 1.483, 1.504, 1.526, 1.547, 1.568, 1.589, 1.610, 1.630,\n & 1.650, 1.670, 1.690, 1.710, 1.729, 1.748, 1.767, 1.786, 1.805,\n & 1.823, 1.841, 1.860, 1.878, 1.895, 1.913, 1.930, 1.948, 1.965,\n & 1.982, 1.999, 2.015, 2.032, 2.048, 2.065, 2.081, 2.097, 2.113,\n & 2.129, 2.144, 2.160, 2.175, 2.191, 2.206, 2.221, 2.236, 2.251,\n & 2.265, 2.280, 2.294, 2.309, 2.323, 2.337, 2.352, 2.366, 2.379,\n & 2.393, 2.407, 2.421, 2.434, 2.448, 2.461, 2.474, 2.488, 2.501,\n & 2.514, 2.527, 2.540, 2.552, 2.565, 2.578, 2.590, 2.603, 2.615,\n & 2.628, 2.640, 2.652, 2.664, 2.676, 2.688, 2.700, 2.712, 2.724,\n & 2.735, 2.747, 2.759, 2.770, 2.782, 2.793, 2.805, 2.816, 2.827,\n & 2.838, 2.849, 2.860, 2.871, 2.882, 2.893, 2.904, 2.915, 2.926,\n & 2.936, 2.947, 2.957, 2.968, 2.978, 2.989, 2.999, 3.010, 3.020,\n & 3.030, 3.040, 3.050, 3.060, 3.070, 3.080, 3.090, 3.100, 3.110,\n & 3.120, 3.130, 3.139, 3.149, 3.159, 3.168, 3.178, 3.188, 3.197,\n & 3.206, 3.216, 3.225, 3.235, 3.244, 3.253, 3.262, 3.272, 3.281,\n & 3.290, 3.299, 3.308, 3.317, 3.326, 3.335, 3.344, 3.353, 3.361,\n & 3.370, 3.379, 3.388\n & /\nC\nC *** (NH4)3H(SO4)2\nC\n DATA BNC13M/\n &-0.072,-0.156,-0.197,-0.226,-0.248,-0.266,-0.282,-0.295,-0.307,\n &-0.317,-0.327,-0.336,-0.344,-0.351,-0.358,-0.364,-0.370,-0.375,\n &-0.380,-0.385,-0.390,-0.394,-0.398,-0.402,-0.406,-0.409,-0.412,\n &-0.415,-0.418,-0.421,-0.424,-0.426,-0.429,-0.431,-0.433,-0.435,\n &-0.437,-0.439,-0.441,-0.442,-0.444,-0.446,-0.447,-0.449,-0.450,\n &-0.451,-0.452,-0.453,-0.454,-0.456,-0.456,-0.457,-0.458,-0.459,\n &-0.460,-0.461,-0.461,-0.462,-0.462,-0.463,-0.463,-0.464,-0.464,\n &-0.465,-0.465,-0.465,-0.466,-0.466,-0.466,-0.467,-0.467,-0.467,\n &-0.467,-0.467,-0.467,-0.467,-0.467,-0.467,-0.467,-0.467,-0.467,\n &-0.467,-0.467,-0.467,-0.467,-0.467,-0.466,-0.466,-0.466,-0.466,\n &-0.466,-0.465,-0.465,-0.465,-0.464,-0.464,-0.464,-0.463,-0.463,\n &-0.463,-0.462,-0.462,-0.461,-0.461,-0.460,-0.460,-0.459,-0.459,\n &-0.458,-0.458,-0.457,-0.457,-0.456,-0.456,-0.455,-0.455,-0.454,\n &-0.454,-0.453,-0.452,-0.452,-0.451,-0.451,-0.450,-0.449,-0.449,\n &-0.448,-0.447,-0.447,-0.446,-0.445,-0.445,-0.444,-0.443,-0.443,\n &-0.442,-0.441,-0.441,-0.440,-0.439,-0.439,-0.438,-0.437,-0.437,\n &-0.436,-0.435,-0.434,-0.434,-0.433,-0.432,-0.432,-0.431,-0.430,\n &-0.429,-0.429,-0.428,-0.427,-0.427,-0.426,-0.425,-0.424,-0.424,\n &-0.423,-0.422,-0.421,-0.421,-0.420,-0.419,-0.418,-0.418,-0.417,\n &-0.416,-0.415,-0.415,-0.414,-0.413,-0.412,-0.412,-0.411,-0.410,\n &-0.409,-0.409,-0.408,-0.407,-0.406,-0.406,-0.405,-0.404,-0.403,\n &-0.403,-0.402,-0.401,-0.400,-0.400,-0.399,-0.398,-0.397,-0.397,\n &-0.396,-0.395,-0.394,-0.394,-0.393,-0.392,-0.391,-0.391,-0.390,\n &-0.389,-0.388,-0.388,-0.387,-0.386,-0.385,-0.385,-0.384,-0.383,\n &-0.382,-0.381,-0.381,-0.380,-0.379,-0.378,-0.378,-0.377,-0.376,\n &-0.375,-0.375,-0.374,-0.373,-0.372,-0.372,-0.371,-0.370,-0.369,\n &-0.369,-0.368,-0.367,-0.366,-0.366,-0.365,-0.364,-0.363,-0.363,\n &-0.362,-0.361,-0.360,-0.360,-0.359,-0.358,-0.357,-0.357,-0.356,\n &-0.355,-0.354,-0.354,-0.353,-0.352,-0.351,-0.351,-0.350,-0.349,\n &-0.348,-0.348,-0.347,-0.346,-0.345,-0.345,-0.344,-0.343,-0.342,\n &-0.342,-0.341,-0.340,-0.339,-0.339,-0.338,-0.337,-0.336,-0.336,\n &-0.335,-0.334,-0.333,-0.333,-0.332,-0.331,-0.331,-0.330,-0.329,\n &-0.328,-0.328,-0.327,-0.326,-0.325,-0.325,-0.324,-0.323,-0.322,\n &-0.322,-0.321,-0.320,-0.320,-0.319,-0.318,-0.317,-0.317,-0.316,\n &-0.315,-0.314,-0.314,-0.313,-0.312,-0.312,-0.311,-0.310,-0.309,\n &-0.309,-0.308,-0.307,-0.306,-0.306,-0.305,-0.304,-0.304,-0.303,\n &-0.302,-0.301,-0.301,-0.300,-0.299,-0.299,-0.298,-0.297,-0.296,\n &-0.296,-0.295,-0.294,-0.294,-0.293,-0.292,-0.291,-0.291,-0.290,\n &-0.289,-0.289,-0.288,-0.287,-0.286,-0.286,-0.285,-0.284,-0.284,\n &-0.283,-0.282,-0.281,-0.281,-0.280,-0.279,-0.279,-0.278,-0.277,\n &-0.277,-0.276,-0.275,-0.274,-0.274,-0.273,-0.272,-0.272,-0.271,\n &-0.270,-0.270,-0.269,-0.268,-0.267,-0.267,-0.266,-0.265,-0.265,\n &-0.264,-0.263,-0.263,-0.262,-0.261,-0.261,-0.260,-0.259,-0.258,\n &-0.258,-0.257,-0.256,-0.256,-0.255,-0.254,-0.254,-0.253,-0.252,\n &-0.252,-0.251,-0.250,-0.250,-0.242,-0.235,-0.229,-0.222,-0.215,\n &-0.209,-0.202,-0.196,-0.189,-0.183,-0.176,-0.170,-0.164,-0.157,\n &-0.151,-0.145,-0.139,-0.133,-0.127,-0.121,-0.115,-0.109,-0.103,\n &-0.097,-0.091,-0.085,-0.079,-0.073,-0.067,-0.062,-0.056,-0.050,\n &-0.045,-0.039,-0.033,-0.028,-0.022,-0.017,-0.011,-0.006, 0.000,\n & 0.005, 0.010, 0.016, 0.021, 0.026, 0.032, 0.037, 0.042, 0.048,\n & 0.053, 0.058, 0.063, 0.068, 0.073, 0.079, 0.084, 0.089, 0.094,\n & 0.099, 0.104, 0.109, 0.114, 0.119, 0.124, 0.129, 0.134, 0.138,\n & 0.143, 0.148, 0.153, 0.158, 0.163, 0.167, 0.172, 0.177, 0.182,\n & 0.186, 0.191, 0.196, 0.201, 0.205, 0.210, 0.215, 0.219, 0.224,\n & 0.228, 0.233, 0.238, 0.242, 0.247, 0.251, 0.256, 0.260, 0.265,\n & 0.269, 0.274, 0.278, 0.283, 0.287, 0.291, 0.296, 0.300, 0.305,\n & 0.309, 0.313, 0.318, 0.322, 0.326, 0.331, 0.335, 0.339, 0.344,\n & 0.348, 0.352, 0.357, 0.361, 0.365, 0.369, 0.374, 0.378, 0.382,\n & 0.386, 0.390, 0.395, 0.399, 0.403, 0.407, 0.411, 0.415, 0.419,\n & 0.424, 0.428, 0.432, 0.436, 0.440, 0.444, 0.448, 0.452, 0.456,\n & 0.460, 0.464, 0.468, 0.472, 0.476, 0.480, 0.484, 0.488, 0.492,\n & 0.496, 0.500, 0.504, 0.508, 0.512, 0.516, 0.520, 0.524, 0.528,\n & 0.532, 0.536, 0.540\n & /\nC\nC *** CASO4\nC\n DATA BNC14M/\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000,\n & 0.000, 0.000, 0.000\n & /\nC\nC *** CANO32\nC\n DATA BNC15M/\n &-0.090,-0.191,-0.239,-0.271,-0.296,-0.316,-0.332,-0.346,-0.358,\n &-0.368,-0.378,-0.386,-0.393,-0.400,-0.405,-0.411,-0.416,-0.420,\n &-0.424,-0.428,-0.431,-0.434,-0.437,-0.440,-0.442,-0.444,-0.446,\n &-0.448,-0.450,-0.451,-0.453,-0.454,-0.455,-0.456,-0.457,-0.458,\n &-0.459,-0.460,-0.460,-0.461,-0.461,-0.462,-0.462,-0.463,-0.463,\n &-0.463,-0.463,-0.463,-0.464,-0.464,-0.464,-0.464,-0.464,-0.464,\n &-0.464,-0.463,-0.463,-0.463,-0.463,-0.463,-0.462,-0.462,-0.462,\n &-0.462,-0.461,-0.461,-0.460,-0.460,-0.460,-0.459,-0.459,-0.458,\n &-0.458,-0.457,-0.457,-0.456,-0.455,-0.455,-0.454,-0.454,-0.453,\n &-0.452,-0.451,-0.451,-0.450,-0.449,-0.448,-0.448,-0.447,-0.446,\n &-0.445,-0.444,-0.443,-0.442,-0.441,-0.440,-0.439,-0.439,-0.438,\n &-0.437,-0.435,-0.434,-0.433,-0.432,-0.431,-0.430,-0.429,-0.428,\n &-0.427,-0.426,-0.425,-0.423,-0.422,-0.421,-0.420,-0.419,-0.417,\n &-0.416,-0.415,-0.414,-0.413,-0.411,-0.410,-0.409,-0.408,-0.406,\n &-0.405,-0.404,-0.403,-0.401,-0.400,-0.399,-0.398,-0.396,-0.395,\n &-0.394,-0.392,-0.391,-0.390,-0.388,-0.387,-0.386,-0.385,-0.383,\n &-0.382,-0.381,-0.379,-0.378,-0.377,-0.375,-0.374,-0.373,-0.371,\n &-0.370,-0.369,-0.367,-0.366,-0.365,-0.363,-0.362,-0.361,-0.359,\n &-0.358,-0.357,-0.355,-0.354,-0.353,-0.351,-0.350,-0.349,-0.347,\n &-0.346,-0.345,-0.343,-0.342,-0.341,-0.339,-0.338,-0.337,-0.335,\n &-0.334,-0.333,-0.331,-0.330,-0.328,-0.327,-0.326,-0.324,-0.323,\n &-0.322,-0.320,-0.319,-0.318,-0.316,-0.315,-0.314,-0.312,-0.311,\n &-0.310,-0.308,-0.307,-0.306,-0.304,-0.303,-0.301,-0.300,-0.299,\n &-0.297,-0.296,-0.295,-0.293,-0.292,-0.291,-0.289,-0.288,-0.287,\n &-0.285,-0.284,-0.283,-0.281,-0.280,-0.279,-0.277,-0.276,-0.275,\n &-0.273,-0.272,-0.271,-0.269,-0.268,-0.267,-0.265,-0.264,-0.263,\n &-0.261,-0.260,-0.259,-0.257,-0.256,-0.255,-0.253,-0.252,-0.251,\n &-0.249,-0.248,-0.247,-0.245,-0.244,-0.243,-0.241,-0.240,-0.239,\n &-0.237,-0.236,-0.235,-0.233,-0.232,-0.231,-0.230,-0.228,-0.227,\n &-0.226,-0.224,-0.223,-0.222,-0.220,-0.219,-0.218,-0.216,-0.215,\n &-0.214,-0.213,-0.211,-0.210,-0.209,-0.207,-0.206,-0.205,-0.203,\n &-0.202,-0.201,-0.200,-0.198,-0.197,-0.196,-0.194,-0.193,-0.192,\n &-0.191,-0.189,-0.188,-0.187,-0.185,-0.184,-0.183,-0.182,-0.180,\n &-0.179,-0.178,-0.176,-0.175,-0.174,-0.173,-0.171,-0.170,-0.169,\n &-0.167,-0.166,-0.165,-0.164,-0.162,-0.161,-0.160,-0.159,-0.157,\n &-0.156,-0.155,-0.154,-0.152,-0.151,-0.150,-0.149,-0.147,-0.146,\n &-0.145,-0.144,-0.142,-0.141,-0.140,-0.139,-0.137,-0.136,-0.135,\n &-0.134,-0.132,-0.131,-0.130,-0.129,-0.127,-0.126,-0.125,-0.124,\n &-0.122,-0.121,-0.120,-0.119,-0.117,-0.116,-0.115,-0.114,-0.113,\n &-0.111,-0.110,-0.109,-0.108,-0.106,-0.105,-0.104,-0.103,-0.102,\n &-0.100,-0.099,-0.098,-0.097,-0.095,-0.094,-0.093,-0.092,-0.091,\n &-0.089,-0.088,-0.087,-0.086,-0.085,-0.083,-0.082,-0.081,-0.080,\n &-0.079,-0.077,-0.076,-0.075,-0.074,-0.073,-0.071,-0.070,-0.069,\n &-0.068,-0.067,-0.065,-0.064,-0.063,-0.062,-0.061,-0.059,-0.058,\n &-0.057,-0.056,-0.055,-0.054,-0.041,-0.029,-0.018,-0.006, 0.005,\n & 0.017, 0.028, 0.039, 0.050, 0.061, 0.072, 0.083, 0.094, 0.104,\n & 0.115, 0.125, 0.136, 0.146, 0.156, 0.167, 0.177, 0.187, 0.197,\n & 0.207, 0.217, 0.227, 0.236, 0.246, 0.256, 0.265, 0.275, 0.284,\n & 0.294, 0.303, 0.312, 0.322, 0.331, 0.340, 0.349, 0.358, 0.367,\n & 0.376, 0.385, 0.394, 0.403, 0.411, 0.420, 0.429, 0.437, 0.446,\n & 0.455, 0.463, 0.472, 0.480, 0.488, 0.497, 0.505, 0.513, 0.521,\n & 0.530, 0.538, 0.546, 0.554, 0.562, 0.570, 0.578, 0.586, 0.594,\n & 0.602, 0.610, 0.617, 0.625, 0.633, 0.641, 0.648, 0.656, 0.664,\n & 0.671, 0.679, 0.686, 0.694, 0.701, 0.709, 0.716, 0.723, 0.731,\n & 0.738, 0.745, 0.753, 0.760, 0.767, 0.774, 0.782, 0.789, 0.796,\n & 0.803, 0.810, 0.817, 0.824, 0.831, 0.838, 0.845, 0.852, 0.859,\n & 0.866, 0.873, 0.880, 0.886, 0.893, 0.900, 0.907, 0.914, 0.920,\n & 0.927, 0.934, 0.940, 0.947, 0.954, 0.960, 0.967, 0.973, 0.980,\n & 0.987, 0.993, 1.000, 1.006, 1.013, 1.019, 1.025, 1.032, 1.038,\n & 1.045, 1.051, 1.057, 1.064, 1.070, 1.076, 1.083, 1.089, 1.095,\n & 1.101, 1.108, 1.114, 1.120, 1.126, 1.132, 1.139, 1.145, 1.151,\n & 1.157, 1.163, 1.169, 1.175, 1.181, 1.187, 1.193, 1.199, 1.205,\n & 1.211, 1.217, 1.223\n & /\nC\nC *** CACL2\nC\n DATA BNC16M/\n &-0.088,-0.184,-0.228,-0.256,-0.277,-0.293,-0.305,-0.315,-0.323,\n &-0.330,-0.335,-0.340,-0.343,-0.346,-0.349,-0.350,-0.352,-0.353,\n &-0.353,-0.353,-0.353,-0.353,-0.352,-0.352,-0.351,-0.349,-0.348,\n &-0.347,-0.345,-0.343,-0.341,-0.339,-0.337,-0.335,-0.333,-0.331,\n &-0.328,-0.326,-0.324,-0.321,-0.318,-0.316,-0.313,-0.311,-0.308,\n &-0.305,-0.302,-0.299,-0.297,-0.294,-0.291,-0.288,-0.285,-0.282,\n &-0.279,-0.276,-0.273,-0.270,-0.267,-0.264,-0.261,-0.258,-0.255,\n &-0.252,-0.249,-0.246,-0.243,-0.239,-0.236,-0.233,-0.230,-0.227,\n &-0.223,-0.220,-0.217,-0.214,-0.210,-0.207,-0.203,-0.200,-0.197,\n &-0.193,-0.190,-0.186,-0.183,-0.179,-0.176,-0.172,-0.168,-0.165,\n &-0.161,-0.158,-0.154,-0.150,-0.146,-0.143,-0.139,-0.135,-0.131,\n &-0.127,-0.123,-0.119,-0.115,-0.111,-0.107,-0.103,-0.099,-0.095,\n &-0.091,-0.087,-0.083,-0.079,-0.075,-0.071,-0.067,-0.063,-0.059,\n &-0.055,-0.050,-0.046,-0.042,-0.038,-0.034,-0.030,-0.026,-0.021,\n &-0.017,-0.013,-0.009,-0.005, 0.000, 0.004, 0.008, 0.012, 0.016,\n & 0.020, 0.025, 0.029, 0.033, 0.037, 0.041, 0.046, 0.050, 0.054,\n & 0.058, 0.062, 0.066, 0.071, 0.075, 0.079, 0.083, 0.087, 0.091,\n & 0.095, 0.100, 0.104, 0.108, 0.112, 0.116, 0.120, 0.124, 0.128,\n & 0.133, 0.137, 0.141, 0.145, 0.149, 0.153, 0.157, 0.161, 0.165,\n & 0.169, 0.174, 0.178, 0.182, 0.186, 0.190, 0.194, 0.198, 0.202,\n & 0.206, 0.210, 0.214, 0.218, 0.222, 0.226, 0.230, 0.234, 0.238,\n & 0.242, 0.246, 0.250, 0.254, 0.258, 0.262, 0.266, 0.270, 0.274,\n & 0.278, 0.282, 0.286, 0.290, 0.294, 0.298, 0.302, 0.306, 0.310,\n & 0.314, 0.318, 0.321, 0.325, 0.329, 0.333, 0.337, 0.341, 0.345,\n & 0.349, 0.353, 0.356, 0.360, 0.364, 0.368, 0.372, 0.376, 0.380,\n & 0.383, 0.387, 0.391, 0.395, 0.399, 0.403, 0.406, 0.410, 0.414,\n & 0.418, 0.422, 0.425, 0.429, 0.433, 0.437, 0.440, 0.444, 0.448,\n & 0.452, 0.455, 0.459, 0.463, 0.467, 0.470, 0.474, 0.478, 0.482,\n & 0.485, 0.489, 0.493, 0.496, 0.500, 0.504, 0.507, 0.511, 0.515,\n & 0.518, 0.522, 0.526, 0.529, 0.533, 0.537, 0.540, 0.544, 0.548,\n & 0.551, 0.555, 0.558, 0.562, 0.566, 0.569, 0.573, 0.576, 0.580,\n & 0.584, 0.587, 0.591, 0.594, 0.598, 0.601, 0.605, 0.609, 0.612,\n & 0.616, 0.619, 0.623, 0.626, 0.630, 0.633, 0.637, 0.640, 0.644,\n & 0.647, 0.651, 0.654, 0.658, 0.661, 0.665, 0.668, 0.672, 0.675,\n & 0.678, 0.682, 0.685, 0.689, 0.692, 0.696, 0.699, 0.703, 0.706,\n & 0.709, 0.713, 0.716, 0.720, 0.723, 0.726, 0.730, 0.733, 0.737,\n & 0.740, 0.743, 0.747, 0.750, 0.753, 0.757, 0.760, 0.763, 0.767,\n & 0.770, 0.773, 0.777, 0.780, 0.783, 0.787, 0.790, 0.793, 0.797,\n & 0.800, 0.803, 0.807, 0.810, 0.813, 0.816, 0.820, 0.823, 0.826,\n & 0.829, 0.833, 0.836, 0.839, 0.842, 0.846, 0.849, 0.852, 0.855,\n & 0.859, 0.862, 0.865, 0.868, 0.871, 0.875, 0.878, 0.881, 0.884,\n & 0.887, 0.891, 0.894, 0.897, 0.900, 0.903, 0.906, 0.910, 0.913,\n & 0.916, 0.919, 0.922, 0.925, 0.928, 0.932, 0.935, 0.938, 0.941,\n & 0.944, 0.947, 0.950, 0.953, 0.957, 0.960, 0.963, 0.966, 0.969,\n & 0.972, 0.975, 0.978, 0.981, 1.014, 1.044, 1.074, 1.103, 1.132,\n & 1.161, 1.189, 1.218, 1.245, 1.273, 1.300, 1.327, 1.353, 1.380,\n & 1.406, 1.431, 1.457, 1.482, 1.507, 1.532, 1.556, 1.580, 1.604,\n & 1.628, 1.652, 1.675, 1.698, 1.721, 1.744, 1.766, 1.788, 1.811,\n & 1.832, 1.854, 1.876, 1.897, 1.918, 1.939, 1.960, 1.981, 2.001,\n & 2.022, 2.042, 2.062, 2.082, 2.101, 2.121, 2.140, 2.160, 2.179,\n & 2.198, 2.217, 2.235, 2.254, 2.273, 2.291, 2.309, 2.327, 2.345,\n & 2.363, 2.381, 2.398, 2.416, 2.433, 2.451, 2.468, 2.485, 2.502,\n & 2.519, 2.535, 2.552, 2.569, 2.585, 2.601, 2.618, 2.634, 2.650,\n & 2.666, 2.682, 2.698, 2.713, 2.729, 2.745, 2.760, 2.775, 2.791,\n & 2.806, 2.821, 2.836, 2.851, 2.866, 2.881, 2.895, 2.910, 2.925,\n & 2.939, 2.954, 2.968, 2.982, 2.997, 3.011, 3.025, 3.039, 3.053,\n & 3.067, 3.081, 3.094, 3.108, 3.122, 3.135, 3.149, 3.162, 3.176,\n & 3.189, 3.202, 3.216, 3.229, 3.242, 3.255, 3.268, 3.281, 3.294,\n & 3.307, 3.319, 3.332, 3.345, 3.357, 3.370, 3.383, 3.395, 3.407,\n & 3.420, 3.432, 3.444, 3.457, 3.469, 3.481, 3.493, 3.505, 3.517,\n & 3.529, 3.541, 3.553, 3.565, 3.577, 3.588, 3.600, 3.612, 3.623,\n & 3.635, 3.646, 3.658, 3.669, 3.681, 3.692, 3.704, 3.715, 3.726,\n & 3.737, 3.748, 3.760\n & /\nC\nC *** K2SO4\nC\n DATA BNC17M/\n &-0.091,-0.197,-0.249,-0.286,-0.315,-0.339,-0.359,-0.377,-0.392,\n &-0.406,-0.419,-0.431,-0.442,-0.452,-0.461,-0.470,-0.478,-0.486,\n &-0.493,-0.500,-0.507,-0.513,-0.519,-0.525,-0.530,-0.535,-0.540,\n &-0.545,-0.550,-0.554,-0.559,-0.563,-0.567,-0.571,-0.575,-0.579,\n &-0.582,-0.586,-0.589,-0.592,-0.596,-0.599,-0.602,-0.605,-0.608,\n &-0.611,-0.613,-0.616,-0.619,-0.621,-0.624,-0.626,-0.628,-0.631,\n &-0.633,-0.635,-0.637,-0.640,-0.642,-0.644,-0.646,-0.648,-0.650,\n &-0.652,-0.653,-0.655,-0.657,-0.659,-0.661,-0.662,-0.664,-0.666,\n &-0.667,-0.669,-0.670,-0.672,-0.673,-0.675,-0.676,-0.678,-0.679,\n &-0.681,-0.682,-0.683,-0.685,-0.686,-0.687,-0.689,-0.690,-0.691,\n &-0.693,-0.694,-0.695,-0.696,-0.697,-0.699,-0.700,-0.701,-0.702,\n &-0.703,-0.704,-0.705,-0.707,-0.708,-0.709,-0.710,-0.711,-0.712,\n &-0.713,-0.714,-0.715,-0.716,-0.717,-0.718,-0.719,-0.720,-0.721,\n &-0.722,-0.723,-0.724,-0.724,-0.725,-0.726,-0.727,-0.728,-0.729,\n &-0.730,-0.731,-0.731,-0.732,-0.733,-0.734,-0.735,-0.735,-0.736,\n &-0.737,-0.738,-0.738,-0.739,-0.740,-0.741,-0.741,-0.742,-0.743,\n &-0.744,-0.744,-0.745,-0.746,-0.746,-0.747,-0.748,-0.748,-0.749,\n &-0.750,-0.750,-0.751,-0.752,-0.752,-0.753,-0.754,-0.754,-0.755,\n &-0.755,-0.756,-0.757,-0.757,-0.758,-0.758,-0.759,-0.759,-0.760,\n &-0.761,-0.761,-0.762,-0.762,-0.763,-0.763,-0.764,-0.764,-0.765,\n &-0.765,-0.766,-0.766,-0.767,-0.767,-0.768,-0.768,-0.769,-0.769,\n &-0.770,-0.770,-0.771,-0.771,-0.772,-0.772,-0.772,-0.773,-0.773,\n &-0.774,-0.774,-0.775,-0.775,-0.776,-0.776,-0.776,-0.777,-0.777,\n &-0.778,-0.778,-0.778,-0.779,-0.779,-0.780,-0.780,-0.780,-0.781,\n &-0.781,-0.781,-0.782,-0.782,-0.783,-0.783,-0.783,-0.784,-0.784,\n &-0.784,-0.785,-0.785,-0.785,-0.786,-0.786,-0.786,-0.787,-0.787,\n &-0.787,-0.788,-0.788,-0.788,-0.789,-0.789,-0.789,-0.790,-0.790,\n &-0.790,-0.790,-0.791,-0.791,-0.791,-0.792,-0.792,-0.792,-0.793,\n &-0.793,-0.793,-0.793,-0.794,-0.794,-0.794,-0.794,-0.795,-0.795,\n &-0.795,-0.795,-0.796,-0.796,-0.796,-0.796,-0.797,-0.797,-0.797,\n &-0.797,-0.798,-0.798,-0.798,-0.798,-0.799,-0.799,-0.799,-0.799,\n &-0.800,-0.800,-0.800,-0.800,-0.800,-0.801,-0.801,-0.801,-0.801,\n &-0.801,-0.802,-0.802,-0.802,-0.802,-0.802,-0.803,-0.803,-0.803,\n &-0.803,-0.803,-0.804,-0.804,-0.804,-0.804,-0.804,-0.804,-0.805,\n &-0.805,-0.805,-0.805,-0.805,-0.806,-0.806,-0.806,-0.806,-0.806,\n &-0.806,-0.806,-0.807,-0.807,-0.807,-0.807,-0.807,-0.807,-0.808,\n &-0.808,-0.808,-0.808,-0.808,-0.808,-0.808,-0.809,-0.809,-0.809,\n &-0.809,-0.809,-0.809,-0.809,-0.810,-0.810,-0.810,-0.810,-0.810,\n &-0.810,-0.810,-0.810,-0.810,-0.811,-0.811,-0.811,-0.811,-0.811,\n &-0.811,-0.811,-0.811,-0.812,-0.812,-0.812,-0.812,-0.812,-0.812,\n &-0.812,-0.812,-0.812,-0.812,-0.813,-0.813,-0.813,-0.813,-0.813,\n &-0.813,-0.813,-0.813,-0.813,-0.813,-0.813,-0.814,-0.814,-0.814,\n &-0.814,-0.814,-0.814,-0.814,-0.814,-0.814,-0.814,-0.814,-0.814,\n &-0.814,-0.815,-0.815,-0.815,-0.815,-0.815,-0.815,-0.815,-0.815,\n &-0.815,-0.815,-0.815,-0.815,-0.816,-0.816,-0.817,-0.817,-0.817,\n &-0.817,-0.817,-0.817,-0.817,-0.817,-0.817,-0.817,-0.816,-0.816,\n &-0.816,-0.815,-0.815,-0.814,-0.813,-0.813,-0.812,-0.811,-0.811,\n &-0.810,-0.809,-0.808,-0.807,-0.806,-0.805,-0.804,-0.803,-0.802,\n &-0.801,-0.800,-0.799,-0.797,-0.796,-0.795,-0.794,-0.792,-0.791,\n &-0.790,-0.788,-0.787,-0.786,-0.784,-0.783,-0.781,-0.780,-0.778,\n &-0.777,-0.775,-0.774,-0.772,-0.771,-0.769,-0.767,-0.766,-0.764,\n &-0.762,-0.761,-0.759,-0.757,-0.756,-0.754,-0.752,-0.750,-0.749,\n &-0.747,-0.745,-0.743,-0.741,-0.740,-0.738,-0.736,-0.734,-0.732,\n &-0.730,-0.728,-0.727,-0.725,-0.723,-0.721,-0.719,-0.717,-0.715,\n &-0.713,-0.711,-0.709,-0.707,-0.705,-0.703,-0.701,-0.699,-0.697,\n &-0.695,-0.693,-0.691,-0.689,-0.687,-0.685,-0.683,-0.681,-0.678,\n &-0.676,-0.674,-0.672,-0.670,-0.668,-0.666,-0.664,-0.661,-0.659,\n &-0.657,-0.655,-0.653,-0.651,-0.648,-0.646,-0.644,-0.642,-0.640,\n &-0.638,-0.635,-0.633,-0.631,-0.629,-0.626,-0.624,-0.622,-0.620,\n &-0.618,-0.615,-0.613,-0.611,-0.609,-0.606,-0.604,-0.602,-0.599,\n &-0.597,-0.595,-0.593,-0.590,-0.588,-0.586,-0.583,-0.581,-0.579,\n &-0.577,-0.574,-0.572,-0.570,-0.567,-0.565,-0.563,-0.560,-0.558,\n &-0.556,-0.553,-0.551\n & /\nC\nC *** KHSO4\nC\n DATA BNC18M/\n &-0.045,-0.094,-0.118,-0.134,-0.147,-0.156,-0.165,-0.171,-0.177,\n &-0.182,-0.187,-0.191,-0.195,-0.198,-0.200,-0.203,-0.205,-0.207,\n &-0.209,-0.210,-0.212,-0.213,-0.214,-0.215,-0.215,-0.216,-0.216,\n &-0.216,-0.217,-0.217,-0.217,-0.217,-0.216,-0.216,-0.216,-0.215,\n &-0.214,-0.214,-0.213,-0.212,-0.211,-0.210,-0.209,-0.208,-0.207,\n &-0.206,-0.205,-0.204,-0.202,-0.201,-0.199,-0.198,-0.196,-0.195,\n &-0.193,-0.191,-0.190,-0.188,-0.186,-0.184,-0.183,-0.181,-0.179,\n &-0.177,-0.175,-0.173,-0.171,-0.169,-0.167,-0.165,-0.163,-0.160,\n &-0.158,-0.156,-0.154,-0.152,-0.149,-0.147,-0.145,-0.142,-0.140,\n &-0.137,-0.135,-0.133,-0.130,-0.128,-0.125,-0.123,-0.120,-0.117,\n &-0.115,-0.112,-0.109,-0.107,-0.104,-0.101,-0.099,-0.096,-0.093,\n &-0.090,-0.088,-0.085,-0.082,-0.079,-0.076,-0.074,-0.071,-0.068,\n &-0.065,-0.062,-0.059,-0.056,-0.053,-0.050,-0.047,-0.044,-0.042,\n &-0.039,-0.036,-0.033,-0.030,-0.027,-0.024,-0.021,-0.018,-0.015,\n &-0.012,-0.009,-0.006,-0.003, 0.000, 0.003, 0.006, 0.009, 0.012,\n & 0.015, 0.018, 0.020, 0.023, 0.026, 0.029, 0.032, 0.035, 0.038,\n & 0.041, 0.044, 0.047, 0.050, 0.053, 0.055, 0.058, 0.061, 0.064,\n & 0.067, 0.070, 0.073, 0.076, 0.078, 0.081, 0.084, 0.087, 0.090,\n & 0.093, 0.095, 0.098, 0.101, 0.104, 0.107, 0.109, 0.112, 0.115,\n & 0.118, 0.121, 0.123, 0.126, 0.129, 0.132, 0.134, 0.137, 0.140,\n & 0.143, 0.145, 0.148, 0.151, 0.153, 0.156, 0.159, 0.162, 0.164,\n & 0.167, 0.170, 0.172, 0.175, 0.178, 0.180, 0.183, 0.186, 0.188,\n & 0.191, 0.193, 0.196, 0.199, 0.201, 0.204, 0.206, 0.209, 0.212,\n & 0.214, 0.217, 0.219, 0.222, 0.225, 0.227, 0.230, 0.232, 0.235,\n & 0.237, 0.240, 0.242, 0.245, 0.247, 0.250, 0.252, 0.255, 0.257,\n & 0.260, 0.262, 0.265, 0.267, 0.270, 0.272, 0.275, 0.277, 0.280,\n & 0.282, 0.285, 0.287, 0.289, 0.292, 0.294, 0.297, 0.299, 0.302,\n & 0.304, 0.306, 0.309, 0.311, 0.314, 0.316, 0.318, 0.321, 0.323,\n & 0.325, 0.328, 0.330, 0.333, 0.335, 0.337, 0.340, 0.342, 0.344,\n & 0.347, 0.349, 0.351, 0.354, 0.356, 0.358, 0.360, 0.363, 0.365,\n & 0.367, 0.370, 0.372, 0.374, 0.376, 0.379, 0.381, 0.383, 0.386,\n & 0.388, 0.390, 0.392, 0.395, 0.397, 0.399, 0.401, 0.403, 0.406,\n & 0.408, 0.410, 0.412, 0.415, 0.417, 0.419, 0.421, 0.423, 0.425,\n & 0.428, 0.430, 0.432, 0.434, 0.436, 0.439, 0.441, 0.443, 0.445,\n & 0.447, 0.449, 0.451, 0.454, 0.456, 0.458, 0.460, 0.462, 0.464,\n & 0.466, 0.468, 0.471, 0.473, 0.475, 0.477, 0.479, 0.481, 0.483,\n & 0.485, 0.487, 0.489, 0.491, 0.494, 0.496, 0.498, 0.500, 0.502,\n & 0.504, 0.506, 0.508, 0.510, 0.512, 0.514, 0.516, 0.518, 0.520,\n & 0.522, 0.524, 0.526, 0.528, 0.530, 0.532, 0.534, 0.536, 0.538,\n & 0.540, 0.542, 0.544, 0.546, 0.548, 0.550, 0.552, 0.554, 0.556,\n & 0.558, 0.560, 0.562, 0.564, 0.566, 0.568, 0.570, 0.572, 0.574,\n & 0.576, 0.578, 0.580, 0.582, 0.584, 0.585, 0.587, 0.589, 0.591,\n & 0.593, 0.595, 0.597, 0.599, 0.601, 0.603, 0.605, 0.607, 0.608,\n & 0.610, 0.612, 0.614, 0.616, 0.618, 0.620, 0.622, 0.623, 0.625,\n & 0.627, 0.629, 0.631, 0.633, 0.653, 0.671, 0.689, 0.707, 0.724,\n & 0.741, 0.758, 0.775, 0.792, 0.808, 0.824, 0.840, 0.856, 0.872,\n & 0.887, 0.903, 0.918, 0.933, 0.947, 0.962, 0.977, 0.991, 1.005,\n & 1.019, 1.033, 1.047, 1.060, 1.074, 1.087, 1.101, 1.114, 1.127,\n & 1.140, 1.152, 1.165, 1.178, 1.190, 1.202, 1.215, 1.227, 1.239,\n & 1.251, 1.262, 1.274, 1.286, 1.297, 1.309, 1.320, 1.332, 1.343,\n & 1.354, 1.365, 1.376, 1.387, 1.397, 1.408, 1.419, 1.429, 1.440,\n & 1.450, 1.461, 1.471, 1.481, 1.491, 1.501, 1.511, 1.521, 1.531,\n & 1.541, 1.551, 1.561, 1.570, 1.580, 1.589, 1.599, 1.608, 1.617,\n & 1.627, 1.636, 1.645, 1.654, 1.663, 1.672, 1.681, 1.690, 1.699,\n & 1.708, 1.717, 1.726, 1.734, 1.743, 1.751, 1.760, 1.768, 1.777,\n & 1.785, 1.794, 1.802, 1.810, 1.819, 1.827, 1.835, 1.843, 1.851,\n & 1.859, 1.867, 1.875, 1.883, 1.891, 1.899, 1.907, 1.915, 1.922,\n & 1.930, 1.938, 1.945, 1.953, 1.960, 1.968, 1.976, 1.983, 1.990,\n & 1.998, 2.005, 2.013, 2.020, 2.027, 2.034, 2.042, 2.049, 2.056,\n & 2.063, 2.070, 2.077, 2.084, 2.091, 2.098, 2.105, 2.112, 2.119,\n & 2.126, 2.133, 2.140, 2.147, 2.154, 2.160, 2.167, 2.174, 2.180,\n & 2.187, 2.194, 2.200, 2.207, 2.213, 2.220, 2.227, 2.233, 2.240,\n & 2.246, 2.252, 2.259\n & /\nC\nC *** KNO3\nC\n DATA BNC19M/\n &-0.046,-0.105,-0.136,-0.159,-0.178,-0.194,-0.208,-0.221,-0.233,\n &-0.244,-0.255,-0.265,-0.274,-0.283,-0.291,-0.299,-0.307,-0.315,\n &-0.322,-0.329,-0.336,-0.342,-0.349,-0.355,-0.361,-0.367,-0.373,\n &-0.379,-0.384,-0.390,-0.395,-0.400,-0.405,-0.410,-0.415,-0.420,\n &-0.425,-0.430,-0.434,-0.439,-0.443,-0.447,-0.452,-0.456,-0.460,\n &-0.464,-0.468,-0.472,-0.476,-0.480,-0.483,-0.487,-0.491,-0.494,\n &-0.498,-0.501,-0.505,-0.508,-0.511,-0.515,-0.518,-0.521,-0.524,\n &-0.528,-0.531,-0.534,-0.537,-0.540,-0.543,-0.546,-0.549,-0.552,\n &-0.555,-0.557,-0.560,-0.563,-0.566,-0.569,-0.571,-0.574,-0.577,\n &-0.580,-0.582,-0.585,-0.588,-0.590,-0.593,-0.596,-0.598,-0.601,\n &-0.604,-0.606,-0.609,-0.611,-0.614,-0.616,-0.619,-0.622,-0.624,\n &-0.627,-0.629,-0.632,-0.634,-0.637,-0.639,-0.641,-0.644,-0.646,\n &-0.649,-0.651,-0.654,-0.656,-0.658,-0.661,-0.663,-0.666,-0.668,\n &-0.670,-0.673,-0.675,-0.677,-0.679,-0.682,-0.684,-0.686,-0.688,\n &-0.691,-0.693,-0.695,-0.697,-0.699,-0.702,-0.704,-0.706,-0.708,\n &-0.710,-0.712,-0.714,-0.716,-0.718,-0.721,-0.723,-0.725,-0.727,\n &-0.729,-0.731,-0.733,-0.735,-0.737,-0.739,-0.740,-0.742,-0.744,\n &-0.746,-0.748,-0.750,-0.752,-0.754,-0.756,-0.757,-0.759,-0.761,\n &-0.763,-0.765,-0.767,-0.768,-0.770,-0.772,-0.774,-0.775,-0.777,\n &-0.779,-0.780,-0.782,-0.784,-0.786,-0.787,-0.789,-0.791,-0.792,\n &-0.794,-0.796,-0.797,-0.799,-0.800,-0.802,-0.804,-0.805,-0.807,\n &-0.808,-0.810,-0.811,-0.813,-0.814,-0.816,-0.817,-0.819,-0.820,\n &-0.822,-0.823,-0.825,-0.826,-0.828,-0.829,-0.831,-0.832,-0.834,\n &-0.835,-0.836,-0.838,-0.839,-0.841,-0.842,-0.843,-0.845,-0.846,\n &-0.847,-0.849,-0.850,-0.851,-0.853,-0.854,-0.855,-0.857,-0.858,\n &-0.859,-0.861,-0.862,-0.863,-0.864,-0.866,-0.867,-0.868,-0.869,\n &-0.871,-0.872,-0.873,-0.874,-0.875,-0.877,-0.878,-0.879,-0.880,\n &-0.881,-0.882,-0.884,-0.885,-0.886,-0.887,-0.888,-0.889,-0.890,\n &-0.892,-0.893,-0.894,-0.895,-0.896,-0.897,-0.898,-0.899,-0.900,\n &-0.901,-0.902,-0.904,-0.905,-0.906,-0.907,-0.908,-0.909,-0.910,\n &-0.911,-0.912,-0.913,-0.914,-0.915,-0.916,-0.917,-0.918,-0.919,\n &-0.920,-0.921,-0.922,-0.923,-0.924,-0.925,-0.926,-0.926,-0.927,\n &-0.928,-0.929,-0.930,-0.931,-0.932,-0.933,-0.934,-0.935,-0.936,\n &-0.936,-0.937,-0.938,-0.939,-0.940,-0.941,-0.942,-0.943,-0.943,\n &-0.944,-0.945,-0.946,-0.947,-0.948,-0.948,-0.949,-0.950,-0.951,\n &-0.952,-0.953,-0.953,-0.954,-0.955,-0.956,-0.957,-0.957,-0.958,\n &-0.959,-0.960,-0.960,-0.961,-0.962,-0.963,-0.963,-0.964,-0.965,\n &-0.966,-0.966,-0.967,-0.968,-0.969,-0.969,-0.970,-0.971,-0.971,\n &-0.972,-0.973,-0.974,-0.974,-0.975,-0.976,-0.976,-0.977,-0.978,\n &-0.978,-0.979,-0.980,-0.980,-0.981,-0.982,-0.982,-0.983,-0.984,\n &-0.984,-0.985,-0.986,-0.986,-0.987,-0.988,-0.988,-0.989,-0.989,\n &-0.990,-0.991,-0.991,-0.992,-0.992,-0.993,-0.994,-0.994,-0.995,\n &-0.995,-0.996,-0.997,-0.997,-0.998,-0.998,-0.999,-1.000,-1.000,\n &-1.001,-1.001,-1.002,-1.002,-1.003,-1.003,-1.004,-1.005,-1.005,\n &-1.006,-1.006,-1.007,-1.007,-1.013,-1.018,-1.022,-1.027,-1.031,\n &-1.035,-1.039,-1.042,-1.046,-1.049,-1.052,-1.055,-1.058,-1.060,\n &-1.063,-1.065,-1.067,-1.069,-1.071,-1.073,-1.075,-1.076,-1.078,\n &-1.079,-1.081,-1.082,-1.083,-1.084,-1.085,-1.086,-1.087,-1.088,\n &-1.088,-1.089,-1.089,-1.090,-1.090,-1.091,-1.091,-1.091,-1.092,\n &-1.092,-1.092,-1.092,-1.092,-1.092,-1.092,-1.092,-1.092,-1.092,\n &-1.092,-1.091,-1.091,-1.091,-1.091,-1.090,-1.090,-1.090,-1.089,\n &-1.089,-1.088,-1.088,-1.087,-1.087,-1.086,-1.085,-1.085,-1.084,\n &-1.084,-1.083,-1.082,-1.082,-1.081,-1.080,-1.079,-1.079,-1.078,\n &-1.077,-1.076,-1.075,-1.074,-1.074,-1.073,-1.072,-1.071,-1.070,\n &-1.069,-1.068,-1.067,-1.066,-1.065,-1.064,-1.063,-1.062,-1.061,\n &-1.060,-1.059,-1.058,-1.057,-1.056,-1.055,-1.054,-1.053,-1.052,\n &-1.051,-1.050,-1.049,-1.047,-1.046,-1.045,-1.044,-1.043,-1.042,\n &-1.041,-1.040,-1.038,-1.037,-1.036,-1.035,-1.034,-1.032,-1.031,\n &-1.030,-1.029,-1.028,-1.026,-1.025,-1.024,-1.023,-1.022,-1.020,\n &-1.019,-1.018,-1.017,-1.015,-1.014,-1.013,-1.012,-1.010,-1.009,\n &-1.008,-1.007,-1.005,-1.004,-1.003,-1.001,-1.000,-0.999,-0.998,\n &-0.996,-0.995,-0.994,-0.992,-0.991,-0.990,-0.989,-0.987,-0.986,\n &-0.985,-0.983,-0.982\n & /\nC\nC *** KCL\nC\n DATA BNC20M/\n &-0.045,-0.095,-0.119,-0.136,-0.148,-0.158,-0.166,-0.173,-0.179,\n &-0.184,-0.189,-0.193,-0.197,-0.200,-0.203,-0.206,-0.208,-0.210,\n &-0.212,-0.214,-0.216,-0.217,-0.219,-0.220,-0.221,-0.222,-0.223,\n &-0.224,-0.225,-0.226,-0.227,-0.227,-0.228,-0.229,-0.229,-0.229,\n &-0.230,-0.230,-0.231,-0.231,-0.231,-0.231,-0.232,-0.232,-0.232,\n &-0.232,-0.232,-0.232,-0.232,-0.232,-0.233,-0.233,-0.233,-0.232,\n &-0.232,-0.232,-0.232,-0.232,-0.232,-0.232,-0.232,-0.232,-0.232,\n &-0.232,-0.231,-0.231,-0.231,-0.231,-0.231,-0.230,-0.230,-0.230,\n &-0.230,-0.229,-0.229,-0.229,-0.229,-0.228,-0.228,-0.228,-0.227,\n &-0.227,-0.227,-0.226,-0.226,-0.226,-0.225,-0.225,-0.224,-0.224,\n &-0.224,-0.223,-0.223,-0.222,-0.222,-0.221,-0.221,-0.220,-0.220,\n &-0.219,-0.219,-0.218,-0.218,-0.217,-0.217,-0.216,-0.216,-0.215,\n &-0.215,-0.214,-0.213,-0.213,-0.212,-0.212,-0.211,-0.211,-0.210,\n &-0.209,-0.209,-0.208,-0.208,-0.207,-0.206,-0.206,-0.205,-0.205,\n &-0.204,-0.203,-0.203,-0.202,-0.201,-0.201,-0.200,-0.200,-0.199,\n &-0.198,-0.198,-0.197,-0.196,-0.196,-0.195,-0.194,-0.194,-0.193,\n &-0.192,-0.192,-0.191,-0.191,-0.190,-0.189,-0.189,-0.188,-0.187,\n &-0.187,-0.186,-0.185,-0.185,-0.184,-0.183,-0.183,-0.182,-0.181,\n &-0.181,-0.180,-0.179,-0.179,-0.178,-0.177,-0.177,-0.176,-0.175,\n &-0.175,-0.174,-0.173,-0.173,-0.172,-0.171,-0.171,-0.170,-0.169,\n &-0.169,-0.168,-0.167,-0.167,-0.166,-0.165,-0.165,-0.164,-0.163,\n &-0.163,-0.162,-0.161,-0.161,-0.160,-0.159,-0.159,-0.158,-0.157,\n &-0.157,-0.156,-0.155,-0.155,-0.154,-0.153,-0.153,-0.152,-0.151,\n &-0.151,-0.150,-0.149,-0.149,-0.148,-0.147,-0.147,-0.146,-0.145,\n &-0.145,-0.144,-0.143,-0.143,-0.142,-0.141,-0.141,-0.140,-0.140,\n &-0.139,-0.138,-0.138,-0.137,-0.136,-0.136,-0.135,-0.134,-0.134,\n &-0.133,-0.132,-0.132,-0.131,-0.130,-0.130,-0.129,-0.128,-0.128,\n &-0.127,-0.126,-0.126,-0.125,-0.124,-0.124,-0.123,-0.122,-0.122,\n &-0.121,-0.120,-0.120,-0.119,-0.119,-0.118,-0.117,-0.117,-0.116,\n &-0.115,-0.115,-0.114,-0.113,-0.113,-0.112,-0.111,-0.111,-0.110,\n &-0.109,-0.109,-0.108,-0.108,-0.107,-0.106,-0.106,-0.105,-0.104,\n &-0.104,-0.103,-0.102,-0.102,-0.101,-0.100,-0.100,-0.099,-0.099,\n &-0.098,-0.097,-0.097,-0.096,-0.095,-0.095,-0.094,-0.093,-0.093,\n &-0.092,-0.092,-0.091,-0.090,-0.090,-0.089,-0.088,-0.088,-0.087,\n &-0.087,-0.086,-0.085,-0.085,-0.084,-0.083,-0.083,-0.082,-0.082,\n &-0.081,-0.080,-0.080,-0.079,-0.078,-0.078,-0.077,-0.077,-0.076,\n &-0.075,-0.075,-0.074,-0.073,-0.073,-0.072,-0.072,-0.071,-0.070,\n &-0.070,-0.069,-0.069,-0.068,-0.067,-0.067,-0.066,-0.065,-0.065,\n &-0.064,-0.064,-0.063,-0.062,-0.062,-0.061,-0.061,-0.060,-0.059,\n &-0.059,-0.058,-0.058,-0.057,-0.056,-0.056,-0.055,-0.055,-0.054,\n &-0.053,-0.053,-0.052,-0.051,-0.051,-0.050,-0.050,-0.049,-0.048,\n &-0.048,-0.047,-0.047,-0.046,-0.046,-0.045,-0.044,-0.044,-0.043,\n &-0.043,-0.042,-0.041,-0.041,-0.040,-0.040,-0.039,-0.038,-0.038,\n &-0.037,-0.037,-0.036,-0.035,-0.035,-0.034,-0.034,-0.033,-0.032,\n &-0.032,-0.031,-0.031,-0.030,-0.024,-0.018,-0.012,-0.007,-0.001,\n & 0.005, 0.010, 0.016, 0.021, 0.027, 0.032, 0.037, 0.043, 0.048,\n & 0.053, 0.058, 0.064, 0.069, 0.074, 0.079, 0.084, 0.089, 0.094,\n & 0.099, 0.104, 0.109, 0.113, 0.118, 0.123, 0.128, 0.132, 0.137,\n & 0.142, 0.146, 0.151, 0.156, 0.160, 0.165, 0.169, 0.174, 0.178,\n & 0.183, 0.187, 0.191, 0.196, 0.200, 0.205, 0.209, 0.213, 0.217,\n & 0.222, 0.226, 0.230, 0.234, 0.238, 0.242, 0.247, 0.251, 0.255,\n & 0.259, 0.263, 0.267, 0.271, 0.275, 0.279, 0.283, 0.287, 0.291,\n & 0.295, 0.298, 0.302, 0.306, 0.310, 0.314, 0.318, 0.321, 0.325,\n & 0.329, 0.333, 0.337, 0.340, 0.344, 0.348, 0.351, 0.355, 0.359,\n & 0.362, 0.366, 0.370, 0.373, 0.377, 0.380, 0.384, 0.387, 0.391,\n & 0.394, 0.398, 0.401, 0.405, 0.408, 0.412, 0.415, 0.419, 0.422,\n & 0.426, 0.429, 0.433, 0.436, 0.439, 0.443, 0.446, 0.449, 0.453,\n & 0.456, 0.459, 0.463, 0.466, 0.469, 0.473, 0.476, 0.479, 0.482,\n & 0.486, 0.489, 0.492, 0.495, 0.499, 0.502, 0.505, 0.508, 0.511,\n & 0.514, 0.518, 0.521, 0.524, 0.527, 0.530, 0.533, 0.536, 0.540,\n & 0.543, 0.546, 0.549, 0.552, 0.555, 0.558, 0.561, 0.564, 0.567,\n & 0.570, 0.573, 0.576, 0.579, 0.582, 0.585, 0.588, 0.591, 0.594,\n & 0.597, 0.600, 0.603\n & /\nC\nC *** MGSO4\nC\n DATA BNC21M/\n &-0.181,-0.389,-0.491,-0.562,-0.617,-0.661,-0.699,-0.732,-0.760,\n &-0.786,-0.809,-0.829,-0.849,-0.866,-0.882,-0.897,-0.911,-0.924,\n &-0.937,-0.948,-0.959,-0.969,-0.979,-0.988,-0.997,-1.006,-1.014,\n &-1.021,-1.028,-1.035,-1.042,-1.048,-1.055,-1.061,-1.066,-1.072,\n &-1.077,-1.082,-1.087,-1.092,-1.096,-1.100,-1.105,-1.109,-1.113,\n &-1.117,-1.120,-1.124,-1.128,-1.131,-1.134,-1.137,-1.141,-1.144,\n &-1.146,-1.149,-1.152,-1.155,-1.157,-1.160,-1.162,-1.165,-1.167,\n &-1.169,-1.172,-1.174,-1.176,-1.178,-1.180,-1.182,-1.184,-1.186,\n &-1.187,-1.189,-1.191,-1.192,-1.194,-1.196,-1.197,-1.199,-1.200,\n &-1.202,-1.203,-1.204,-1.206,-1.207,-1.208,-1.209,-1.210,-1.211,\n &-1.213,-1.214,-1.215,-1.216,-1.217,-1.218,-1.218,-1.219,-1.220,\n &-1.221,-1.222,-1.223,-1.223,-1.224,-1.225,-1.225,-1.226,-1.227,\n &-1.227,-1.228,-1.229,-1.229,-1.230,-1.230,-1.231,-1.231,-1.232,\n &-1.232,-1.233,-1.233,-1.233,-1.234,-1.234,-1.235,-1.235,-1.235,\n &-1.236,-1.236,-1.236,-1.236,-1.237,-1.237,-1.237,-1.237,-1.238,\n &-1.238,-1.238,-1.238,-1.238,-1.239,-1.239,-1.239,-1.239,-1.239,\n &-1.239,-1.239,-1.239,-1.239,-1.239,-1.240,-1.240,-1.240,-1.240,\n &-1.240,-1.240,-1.240,-1.240,-1.240,-1.240,-1.240,-1.240,-1.240,\n &-1.239,-1.239,-1.239,-1.239,-1.239,-1.239,-1.239,-1.239,-1.239,\n &-1.239,-1.239,-1.238,-1.238,-1.238,-1.238,-1.238,-1.238,-1.238,\n &-1.237,-1.237,-1.237,-1.237,-1.237,-1.237,-1.236,-1.236,-1.236,\n &-1.236,-1.235,-1.235,-1.235,-1.235,-1.235,-1.234,-1.234,-1.234,\n &-1.233,-1.233,-1.233,-1.233,-1.232,-1.232,-1.232,-1.232,-1.231,\n &-1.231,-1.231,-1.230,-1.230,-1.230,-1.229,-1.229,-1.229,-1.228,\n &-1.228,-1.228,-1.227,-1.227,-1.227,-1.226,-1.226,-1.226,-1.225,\n &-1.225,-1.225,-1.224,-1.224,-1.223,-1.223,-1.223,-1.222,-1.222,\n &-1.222,-1.221,-1.221,-1.220,-1.220,-1.220,-1.219,-1.219,-1.218,\n &-1.218,-1.217,-1.217,-1.217,-1.216,-1.216,-1.215,-1.215,-1.214,\n &-1.214,-1.214,-1.213,-1.213,-1.212,-1.212,-1.211,-1.211,-1.210,\n &-1.210,-1.210,-1.209,-1.209,-1.208,-1.208,-1.207,-1.207,-1.206,\n &-1.206,-1.205,-1.205,-1.204,-1.204,-1.203,-1.203,-1.202,-1.202,\n &-1.201,-1.201,-1.200,-1.200,-1.199,-1.199,-1.198,-1.198,-1.197,\n &-1.197,-1.196,-1.196,-1.195,-1.195,-1.194,-1.194,-1.193,-1.193,\n &-1.192,-1.192,-1.191,-1.191,-1.190,-1.190,-1.189,-1.188,-1.188,\n &-1.187,-1.187,-1.186,-1.186,-1.185,-1.185,-1.184,-1.184,-1.183,\n &-1.182,-1.182,-1.181,-1.181,-1.180,-1.180,-1.179,-1.179,-1.178,\n &-1.177,-1.177,-1.176,-1.176,-1.175,-1.175,-1.174,-1.174,-1.173,\n &-1.172,-1.172,-1.171,-1.171,-1.170,-1.169,-1.169,-1.168,-1.168,\n &-1.167,-1.167,-1.166,-1.165,-1.165,-1.164,-1.164,-1.163,-1.163,\n &-1.162,-1.161,-1.161,-1.160,-1.160,-1.159,-1.158,-1.158,-1.157,\n &-1.157,-1.156,-1.155,-1.155,-1.154,-1.154,-1.153,-1.152,-1.152,\n &-1.151,-1.151,-1.150,-1.149,-1.149,-1.148,-1.148,-1.147,-1.146,\n &-1.146,-1.145,-1.144,-1.144,-1.143,-1.143,-1.142,-1.141,-1.141,\n &-1.140,-1.140,-1.139,-1.138,-1.138,-1.137,-1.136,-1.136,-1.135,\n &-1.135,-1.134,-1.133,-1.133,-1.126,-1.120,-1.113,-1.107,-1.100,\n &-1.094,-1.087,-1.080,-1.074,-1.067,-1.060,-1.054,-1.047,-1.040,\n &-1.033,-1.027,-1.020,-1.013,-1.006,-0.999,-0.992,-0.985,-0.978,\n &-0.971,-0.965,-0.958,-0.951,-0.944,-0.937,-0.930,-0.923,-0.916,\n &-0.909,-0.902,-0.895,-0.888,-0.881,-0.874,-0.867,-0.860,-0.853,\n &-0.846,-0.839,-0.832,-0.825,-0.818,-0.811,-0.804,-0.797,-0.790,\n &-0.783,-0.776,-0.769,-0.762,-0.755,-0.748,-0.741,-0.734,-0.727,\n &-0.720,-0.713,-0.706,-0.699,-0.692,-0.685,-0.678,-0.671,-0.664,\n &-0.657,-0.650,-0.644,-0.637,-0.630,-0.623,-0.616,-0.609,-0.602,\n &-0.595,-0.588,-0.581,-0.574,-0.567,-0.560,-0.554,-0.547,-0.540,\n &-0.533,-0.526,-0.519,-0.512,-0.505,-0.498,-0.492,-0.485,-0.478,\n &-0.471,-0.464,-0.457,-0.450,-0.444,-0.437,-0.430,-0.423,-0.416,\n &-0.409,-0.403,-0.396,-0.389,-0.382,-0.375,-0.369,-0.362,-0.355,\n &-0.348,-0.341,-0.335,-0.328,-0.321,-0.314,-0.308,-0.301,-0.294,\n &-0.287,-0.280,-0.274,-0.267,-0.260,-0.254,-0.247,-0.240,-0.233,\n &-0.227,-0.220,-0.213,-0.206,-0.200,-0.193,-0.186,-0.180,-0.173,\n &-0.166,-0.160,-0.153,-0.146,-0.140,-0.133,-0.126,-0.119,-0.113,\n &-0.106,-0.100,-0.093,-0.086,-0.080,-0.073,-0.066,-0.060,-0.053,\n &-0.046,-0.040,-0.033\n & /\nC\nC *** MGNO32\nC\n DATA BNC22M/\n &-0.088,-0.185,-0.228,-0.257,-0.278,-0.294,-0.306,-0.317,-0.325,\n &-0.332,-0.337,-0.342,-0.346,-0.349,-0.351,-0.353,-0.355,-0.356,\n &-0.357,-0.357,-0.357,-0.357,-0.356,-0.356,-0.355,-0.354,-0.353,\n &-0.352,-0.350,-0.349,-0.347,-0.345,-0.343,-0.341,-0.339,-0.337,\n &-0.335,-0.333,-0.330,-0.328,-0.326,-0.323,-0.321,-0.318,-0.316,\n &-0.313,-0.310,-0.308,-0.305,-0.302,-0.300,-0.297,-0.294,-0.291,\n &-0.288,-0.286,-0.283,-0.280,-0.277,-0.274,-0.271,-0.268,-0.266,\n &-0.263,-0.260,-0.257,-0.254,-0.251,-0.248,-0.245,-0.242,-0.239,\n &-0.235,-0.232,-0.229,-0.226,-0.223,-0.220,-0.216,-0.213,-0.210,\n &-0.207,-0.203,-0.200,-0.197,-0.193,-0.190,-0.186,-0.183,-0.180,\n &-0.176,-0.173,-0.169,-0.165,-0.162,-0.158,-0.155,-0.151,-0.147,\n &-0.143,-0.140,-0.136,-0.132,-0.128,-0.125,-0.121,-0.117,-0.113,\n &-0.109,-0.105,-0.101,-0.098,-0.094,-0.090,-0.086,-0.082,-0.078,\n &-0.074,-0.070,-0.066,-0.062,-0.058,-0.054,-0.050,-0.046,-0.042,\n &-0.038,-0.034,-0.030,-0.026,-0.022,-0.018,-0.014,-0.010,-0.006,\n &-0.002, 0.002, 0.006, 0.010, 0.014, 0.018, 0.022, 0.026, 0.030,\n & 0.034, 0.038, 0.042, 0.046, 0.050, 0.054, 0.058, 0.062, 0.066,\n & 0.070, 0.074, 0.078, 0.082, 0.086, 0.090, 0.094, 0.098, 0.102,\n & 0.106, 0.110, 0.114, 0.118, 0.122, 0.126, 0.130, 0.134, 0.137,\n & 0.141, 0.145, 0.149, 0.153, 0.157, 0.161, 0.165, 0.169, 0.173,\n & 0.177, 0.180, 0.184, 0.188, 0.192, 0.196, 0.200, 0.204, 0.207,\n & 0.211, 0.215, 0.219, 0.223, 0.227, 0.231, 0.234, 0.238, 0.242,\n & 0.246, 0.250, 0.253, 0.257, 0.261, 0.265, 0.269, 0.272, 0.276,\n & 0.280, 0.284, 0.288, 0.291, 0.295, 0.299, 0.303, 0.306, 0.310,\n & 0.314, 0.318, 0.321, 0.325, 0.329, 0.332, 0.336, 0.340, 0.343,\n & 0.347, 0.351, 0.355, 0.358, 0.362, 0.366, 0.369, 0.373, 0.377,\n & 0.380, 0.384, 0.388, 0.391, 0.395, 0.398, 0.402, 0.406, 0.409,\n & 0.413, 0.417, 0.420, 0.424, 0.427, 0.431, 0.435, 0.438, 0.442,\n & 0.445, 0.449, 0.452, 0.456, 0.459, 0.463, 0.467, 0.470, 0.474,\n & 0.477, 0.481, 0.484, 0.488, 0.491, 0.495, 0.498, 0.502, 0.505,\n & 0.509, 0.512, 0.516, 0.519, 0.523, 0.526, 0.530, 0.533, 0.537,\n & 0.540, 0.543, 0.547, 0.550, 0.554, 0.557, 0.561, 0.564, 0.567,\n & 0.571, 0.574, 0.578, 0.581, 0.584, 0.588, 0.591, 0.595, 0.598,\n & 0.601, 0.605, 0.608, 0.611, 0.615, 0.618, 0.621, 0.625, 0.628,\n & 0.631, 0.635, 0.638, 0.641, 0.645, 0.648, 0.651, 0.655, 0.658,\n & 0.661, 0.665, 0.668, 0.671, 0.674, 0.678, 0.681, 0.684, 0.687,\n & 0.691, 0.694, 0.697, 0.700, 0.704, 0.707, 0.710, 0.713, 0.717,\n & 0.720, 0.723, 0.726, 0.729, 0.733, 0.736, 0.739, 0.742, 0.745,\n & 0.749, 0.752, 0.755, 0.758, 0.761, 0.764, 0.768, 0.771, 0.774,\n & 0.777, 0.780, 0.783, 0.786, 0.790, 0.793, 0.796, 0.799, 0.802,\n & 0.805, 0.808, 0.811, 0.814, 0.818, 0.821, 0.824, 0.827, 0.830,\n & 0.833, 0.836, 0.839, 0.842, 0.845, 0.848, 0.851, 0.854, 0.857,\n & 0.860, 0.864, 0.867, 0.870, 0.873, 0.876, 0.879, 0.882, 0.885,\n & 0.888, 0.891, 0.894, 0.897, 0.900, 0.903, 0.906, 0.909, 0.912,\n & 0.915, 0.918, 0.921, 0.924, 0.955, 0.984, 1.013, 1.041, 1.070,\n & 1.097, 1.125, 1.152, 1.179, 1.205, 1.231, 1.257, 1.283, 1.308,\n & 1.334, 1.359, 1.383, 1.408, 1.432, 1.456, 1.479, 1.503, 1.526,\n & 1.549, 1.572, 1.594, 1.617, 1.639, 1.661, 1.683, 1.704, 1.726,\n & 1.747, 1.768, 1.789, 1.810, 1.830, 1.851, 1.871, 1.891, 1.911,\n & 1.930, 1.950, 1.969, 1.989, 2.008, 2.027, 2.046, 2.064, 2.083,\n & 2.101, 2.120, 2.138, 2.156, 2.174, 2.192, 2.209, 2.227, 2.244,\n & 2.262, 2.279, 2.296, 2.313, 2.330, 2.347, 2.363, 2.380, 2.396,\n & 2.413, 2.429, 2.445, 2.461, 2.477, 2.493, 2.509, 2.525, 2.540,\n & 2.556, 2.571, 2.587, 2.602, 2.617, 2.632, 2.647, 2.662, 2.677,\n & 2.692, 2.707, 2.721, 2.736, 2.750, 2.765, 2.779, 2.793, 2.807,\n & 2.822, 2.836, 2.850, 2.863, 2.877, 2.891, 2.905, 2.918, 2.932,\n & 2.946, 2.959, 2.972, 2.986, 2.999, 3.012, 3.025, 3.039, 3.052,\n & 3.065, 3.078, 3.090, 3.103, 3.116, 3.129, 3.141, 3.154, 3.167,\n & 3.179, 3.191, 3.204, 3.216, 3.229, 3.241, 3.253, 3.265, 3.277,\n & 3.289, 3.301, 3.313, 3.325, 3.337, 3.349, 3.361, 3.372, 3.384,\n & 3.396, 3.407, 3.419, 3.431, 3.442, 3.453, 3.465, 3.476, 3.488,\n & 3.499, 3.510, 3.521, 3.532, 3.544, 3.555, 3.566, 3.577, 3.588,\n & 3.599, 3.610, 3.621\n & /\nC\nC *** MGCL2\nC\n DATA BNC23M/\n &-0.088,-0.182,-0.225,-0.252,-0.271,-0.286,-0.297,-0.306,-0.313,\n &-0.319,-0.323,-0.327,-0.329,-0.331,-0.332,-0.333,-0.333,-0.333,\n &-0.333,-0.332,-0.331,-0.329,-0.328,-0.326,-0.324,-0.322,-0.319,\n &-0.317,-0.314,-0.312,-0.309,-0.306,-0.303,-0.300,-0.296,-0.293,\n &-0.290,-0.286,-0.283,-0.279,-0.276,-0.272,-0.268,-0.265,-0.261,\n &-0.257,-0.253,-0.250,-0.246,-0.242,-0.238,-0.234,-0.230,-0.226,\n &-0.223,-0.219,-0.215,-0.211,-0.207,-0.203,-0.199,-0.195,-0.191,\n &-0.187,-0.183,-0.179,-0.174,-0.170,-0.166,-0.162,-0.158,-0.154,\n &-0.150,-0.145,-0.141,-0.137,-0.133,-0.128,-0.124,-0.120,-0.115,\n &-0.111,-0.106,-0.102,-0.097,-0.093,-0.088,-0.084,-0.079,-0.074,\n &-0.070,-0.065,-0.060,-0.056,-0.051,-0.046,-0.041,-0.036,-0.031,\n &-0.027,-0.022,-0.017,-0.012,-0.007,-0.002, 0.003, 0.008, 0.013,\n & 0.019, 0.024, 0.029, 0.034, 0.039, 0.044, 0.049, 0.055, 0.060,\n & 0.065, 0.070, 0.075, 0.081, 0.086, 0.091, 0.096, 0.101, 0.107,\n & 0.112, 0.117, 0.122, 0.128, 0.133, 0.138, 0.143, 0.149, 0.154,\n & 0.159, 0.164, 0.170, 0.175, 0.180, 0.185, 0.190, 0.196, 0.201,\n & 0.206, 0.211, 0.216, 0.222, 0.227, 0.232, 0.237, 0.242, 0.248,\n & 0.253, 0.258, 0.263, 0.268, 0.273, 0.279, 0.284, 0.289, 0.294,\n & 0.299, 0.304, 0.309, 0.314, 0.320, 0.325, 0.330, 0.335, 0.340,\n & 0.345, 0.350, 0.355, 0.360, 0.365, 0.370, 0.375, 0.380, 0.386,\n & 0.391, 0.396, 0.401, 0.406, 0.411, 0.416, 0.421, 0.426, 0.431,\n & 0.436, 0.441, 0.446, 0.450, 0.455, 0.460, 0.465, 0.470, 0.475,\n & 0.480, 0.485, 0.490, 0.495, 0.500, 0.505, 0.509, 0.514, 0.519,\n & 0.524, 0.529, 0.534, 0.539, 0.543, 0.548, 0.553, 0.558, 0.563,\n & 0.568, 0.572, 0.577, 0.582, 0.587, 0.592, 0.596, 0.601, 0.606,\n & 0.611, 0.615, 0.620, 0.625, 0.629, 0.634, 0.639, 0.644, 0.648,\n & 0.653, 0.658, 0.662, 0.667, 0.672, 0.676, 0.681, 0.686, 0.690,\n & 0.695, 0.700, 0.704, 0.709, 0.713, 0.718, 0.723, 0.727, 0.732,\n & 0.736, 0.741, 0.745, 0.750, 0.754, 0.759, 0.764, 0.768, 0.773,\n & 0.777, 0.782, 0.786, 0.791, 0.795, 0.800, 0.804, 0.809, 0.813,\n & 0.817, 0.822, 0.826, 0.831, 0.835, 0.840, 0.844, 0.848, 0.853,\n & 0.857, 0.862, 0.866, 0.870, 0.875, 0.879, 0.884, 0.888, 0.892,\n & 0.897, 0.901, 0.905, 0.910, 0.914, 0.918, 0.923, 0.927, 0.931,\n & 0.935, 0.940, 0.944, 0.948, 0.953, 0.957, 0.961, 0.965, 0.970,\n & 0.974, 0.978, 0.982, 0.986, 0.991, 0.995, 0.999, 1.003, 1.007,\n & 1.012, 1.016, 1.020, 1.024, 1.028, 1.032, 1.037, 1.041, 1.045,\n & 1.049, 1.053, 1.057, 1.061, 1.065, 1.070, 1.074, 1.078, 1.082,\n & 1.086, 1.090, 1.094, 1.098, 1.102, 1.106, 1.110, 1.114, 1.118,\n & 1.122, 1.126, 1.130, 1.134, 1.138, 1.142, 1.146, 1.150, 1.154,\n & 1.158, 1.162, 1.166, 1.170, 1.174, 1.178, 1.182, 1.186, 1.190,\n & 1.194, 1.198, 1.202, 1.206, 1.210, 1.214, 1.217, 1.221, 1.225,\n & 1.229, 1.233, 1.237, 1.241, 1.245, 1.248, 1.252, 1.256, 1.260,\n & 1.264, 1.268, 1.271, 1.275, 1.279, 1.283, 1.287, 1.290, 1.294,\n & 1.298, 1.302, 1.306, 1.309, 1.313, 1.317, 1.321, 1.324, 1.328,\n & 1.332, 1.336, 1.339, 1.343, 1.383, 1.420, 1.456, 1.491, 1.527,\n & 1.561, 1.596, 1.630, 1.663, 1.696, 1.729, 1.761, 1.793, 1.825,\n & 1.856, 1.887, 1.918, 1.948, 1.978, 2.008, 2.037, 2.066, 2.095,\n & 2.123, 2.152, 2.180, 2.207, 2.235, 2.262, 2.289, 2.315, 2.342,\n & 2.368, 2.394, 2.419, 2.445, 2.470, 2.495, 2.520, 2.544, 2.569,\n & 2.593, 2.617, 2.641, 2.664, 2.688, 2.711, 2.734, 2.757, 2.780,\n & 2.802, 2.824, 2.847, 2.869, 2.890, 2.912, 2.934, 2.955, 2.976,\n & 2.997, 3.018, 3.039, 3.060, 3.080, 3.101, 3.121, 3.141, 3.161,\n & 3.181, 3.201, 3.220, 3.240, 3.259, 3.279, 3.298, 3.317, 3.336,\n & 3.354, 3.373, 3.392, 3.410, 3.428, 3.447, 3.465, 3.483, 3.501,\n & 3.519, 3.536, 3.554, 3.572, 3.589, 3.606, 3.624, 3.641, 3.658,\n & 3.675, 3.692, 3.709, 3.725, 3.742, 3.759, 3.775, 3.791, 3.808,\n & 3.824, 3.840, 3.856, 3.872, 3.888, 3.904, 3.920, 3.935, 3.951,\n & 3.967, 3.982, 3.997, 4.013, 4.028, 4.043, 4.058, 4.074, 4.089,\n & 4.103, 4.118, 4.133, 4.148, 4.163, 4.177, 4.192, 4.206, 4.221,\n & 4.235, 4.249, 4.264, 4.278, 4.292, 4.306, 4.320, 4.334, 4.348,\n & 4.362, 4.376, 4.390, 4.403, 4.417, 4.431, 4.444, 4.458, 4.471,\n & 4.484, 4.498, 4.511, 4.524, 4.538, 4.551, 4.564, 4.577, 4.590,\n & 4.603, 4.616, 4.629\n & /\nC\nC *** END OF BLOCK DATA EXPON ******************************************\nC\n END\n\n\nCC*************************************************************************\nCC\nCC TOOLBOX LIBRARY v.1.0 (May 1995)\nCC\nCC Program unit : SUBROUTINE CHRBLN\nCC Purpose : Position of last non-blank character in a string\nCC Author : Athanasios Nenes\nCC\nCC ======================= ARGUMENTS / USAGE =============================\nCC\nCC STR is the CHARACTER variable containing the string examined\nCC IBLK is a INTEGER variable containing the position of last non\nCC blank character. If string is all spaces (ie ' '), then\nCC the value returned is 1.\nCC\nCC EXAMPLE:\nCC STR = 'TEST1.DAT '\nCC CALL CHRBLN (STR, IBLK)\nCC\nCC after execution of this code segment, \"IBLK\" has the value \"9\", which\nCC is the position of the last non-blank character of \"STR\".\nCC\nCC***********************************************************************\nCC\n SUBROUTINE CHRBLN (STR, IBLK)\nCC\nCC***********************************************************************\n CHARACTER*(*) STR\nC\n IBLK = 1 ! Substring pointer (default=1)\n ILEN = LEN(STR) ! Length of string\n DO 10 i=ILEN,1,-1\n IF (STR(i:i).NE.' ' .AND. STR(i:i).NE.CHAR(0)) THEN\n IBLK = i\n RETURN\n ENDIF\n10 CONTINUE\n RETURN\nC\n END\n\n\nCC*************************************************************************\nCC\nCC TOOLBOX LIBRARY v.1.0 (May 1995)\nCC\nCC Program unit : SUBROUTINE SHFTRGHT\nCC Purpose : RIGHT-JUSTIFICATION FUNCTION ON A STRING\nCC Author : Athanasios Nenes\nCC\nCC ======================= ARGUMENTS / USAGE =============================\nCC\nCC STRING is the CHARACTER variable with the string to be justified\nCC\nCC EXAMPLE:\nCC STRING = 'AAAA '\nCC CALL SHFTRGHT (STRING)\nCC\nCC after execution of this code segment, STRING contains the value\nCC ' AAAA'.\nCC\nCC*************************************************************************\nCC\n SUBROUTINE SHFTRGHT (CHR)\nCC\nCC***********************************************************************\n CHARACTER CHR*(*)\nC\n I1 = LEN(CHR) ! Total length of string\n CALL CHRBLN(CHR,I2) ! Position of last non-blank character\n IF (I2.EQ.I1) RETURN\nC\n DO 10 I=I2,1,-1 ! Shift characters\n CHR(I1+I-I2:I1+I-I2) = CHR(I:I)\n CHR(I:I) = ' '\n10 CONTINUE\n RETURN\nC\n END\n\n\n\n\nCC*************************************************************************\nCC\nCC TOOLBOX LIBRARY v.1.0 (May 1995)\nCC\nCC Program unit : SUBROUTINE RPLSTR\nCC Purpose : REPLACE CHARACTERS OCCURING IN A STRING\nCC Author : Athanasios Nenes\nCC\nCC ======================= ARGUMENTS / USAGE =============================\nCC\nCC STRING is the CHARACTER variable with the string to be edited\nCC OLD is the old character which is to be replaced\nCC NEW is the new character which OLD is to be replaced with\nCC IERR is 0 if everything went well, is 1 if 'NEW' contains 'OLD'.\nCC In this case, this is invalid, and no change is done.\nCC\nCC EXAMPLE:\nCC STRING = 'AAAA'\nCC OLD = 'A'\nCC NEW = 'B'\nCC CALL RPLSTR (STRING, OLD, NEW)\nCC\nCC after execution of this code segment, STRING contains the value\nCC 'BBBB'.\nCC\nCC*************************************************************************\nCC\n SUBROUTINE RPLSTR (STRING, OLD, NEW, IERR)\nCC\nCC***********************************************************************\n CHARACTER STRING*(*), OLD*(*), NEW*(*)\nC\nC *** INITIALIZE ********************************************************\nC\n ILO = LEN(OLD)\nC\nC *** CHECK AND SEE IF 'NEW' CONTAINS 'OLD', WHICH CANNOT ***************\nC\n IP = INDEX(NEW,OLD)\n IF (IP.NE.0) THEN\n IERR = 1\n RETURN\n ELSE\n IERR = 0\n ENDIF\nC\nC *** PROCEED WITH REPLACING *******************************************\nC\n10 IP = INDEX(STRING,OLD) ! SEE IF 'OLD' EXISTS IN 'STRING'\n IF (IP.EQ.0) RETURN ! 'OLD' DOES NOT EXIST ; RETURN\n STRING(IP:IP+ILO-1) = NEW ! REPLACE SUBSTRING 'OLD' WITH 'NEW'\n GOTO 10 ! GO FOR NEW OCCURANCE OF 'OLD'\nC\n END\n\n\nCC*************************************************************************\nCC\nCC TOOLBOX LIBRARY v.1.0 (May 1995)\nCC\nCC Program unit : SUBROUTINE INPTD\nCC Purpose : Prompts user for a value (DOUBLE). A default value\nCC is provided, so if user presses , the default\nCC is used.\nCC Author : Athanasios Nenes\nCC\nCC ======================= ARGUMENTS / USAGE =============================\nCC\nCC VAR is the DOUBLE PRECISION variable which value is to be saved\nCC DEF is a DOUBLE PRECISION variable, with the default value of VAR.\nCC PROMPT is a CHARACTER varible containing the prompt string.\nCC PRFMT is a CHARACTER variable containing the FORMAT specifier\nCC for the default value DEF.\nCC IERR is an INTEGER error flag, and has the values:\nCC 0 - No error detected.\nCC 1 - Invalid FORMAT and/or Invalid default value.\nCC 2 - Bad value specified by user\nCC\nCC EXAMPLE:\nCC CALL INPTD (VAR, 1.0D0, 'Give value for A ', '*', Ierr)\nCC\nCC after execution of this code segment, the user is prompted for the\nCC value of variable VAR. If is pressed (ie no value is specified)\nCC then 1.0 is assigned to VAR. The default value is displayed in free-\nCC format. The error status is specified by variable Ierr\nCC\nCC***********************************************************************\nCC\n SUBROUTINE INPTD (VAR, DEF, PROMPT, PRFMT, IERR)\nCC\nCC***********************************************************************\n CHARACTER PROMPT*(*), PRFMT*(*), BUFFER*128\n DOUBLE PRECISION DEF, VAR\n INTEGER IERR\nC\n IERR = 0\nC\nC *** WRITE DEFAULT VALUE TO WORK BUFFER *******************************\nC\n WRITE (BUFFER, FMT=PRFMT, ERR=10) DEF\n CALL CHRBLN (BUFFER, IEND)\nC\nC *** PROMPT USER FOR INPUT AND READ IT ********************************\nC\n WRITE (*,*) PROMPT,' [',BUFFER(1:IEND),']: '\n READ (*, '(A)', ERR=20, END=20) BUFFER\n CALL CHRBLN (BUFFER,IEND)\nC\nC *** READ DATA OR SET DEFAULT ? ****************************************\nC\n IF (IEND.EQ.1 .AND. BUFFER(1:1).EQ.' ') THEN\n VAR = DEF\n ELSE\n READ (BUFFER, *, ERR=20, END=20) VAR\n ENDIF\nC\nC *** RETURN POINT ******************************************************\nC\n30 RETURN\nC\nC *** ERROR HANDLER *****************************************************\nC\n10 IERR = 1 ! Bad FORMAT and/or bad default value\n GOTO 30\nC\n20 IERR = 2 ! Bad number given by user\n GOTO 30\nC\n END\n\n\nCC*************************************************************************\nCC\nCC TOOLBOX LIBRARY v.1.0 (May 1995)\nCC\nCC Program unit : SUBROUTINE Pushend\nCC Purpose : Positions the pointer of a sequential file at its end\nCC Simulates the ACCESS='APPEND' clause of a F77L OPEN\nCC statement with Standard Fortran commands.\nCC\nCC ======================= ARGUMENTS / USAGE =============================\nCC\nCC Iunit is a INTEGER variable, the file unit which the file is\nCC connected to.\nCC\nCC EXAMPLE:\nCC CALL PUSHEND (10)\nCC\nCC after execution of this code segment, the pointer of unit 10 is\nCC pushed to its end.\nCC\nCC***********************************************************************\nCC\n SUBROUTINE Pushend (Iunit)\nCC\nCC***********************************************************************\nC\n LOGICAL OPNED\nC\nC *** INQUIRE IF Iunit CONNECTED TO FILE ********************************\nC\n INQUIRE (UNIT=Iunit, OPENED=OPNED)\n IF (.NOT.OPNED) GOTO 25\nC\nC *** Iunit CONNECTED, PUSH POINTER TO END ******************************\nC\n10 READ (Iunit,'()', ERR=20, END=20)\n GOTO 10\nC\nC *** RETURN POINT ******************************************************\nC\n20 BACKSPACE (Iunit)\n25 RETURN\n END\n\n\n\nCC*************************************************************************\nCC\nCC TOOLBOX LIBRARY v.1.0 (May 1995)\nCC\nCC Program unit : SUBROUTINE APPENDEXT\nCC Purpose : Fix extension in file name string\nCC\nCC ======================= ARGUMENTS / USAGE =============================\nCC\nCC Filename is the CHARACTER variable with the file name\nCC Defext is the CHARACTER variable with extension (including '.',\nCC ex. '.DAT')\nCC Overwrite is a LOGICAL value, .TRUE. overwrites any existing extension\nCC in \"Filename\" with \"Defext\", .FALSE. puts \"Defext\" only if\nCC there is no extension in \"Filename\".\nCC\nCC EXAMPLE:\nCC FILENAME1 = 'TEST.DAT'\nCC FILENAME2 = 'TEST.DAT'\nCC CALL APPENDEXT (FILENAME1, '.TXT', .FALSE.)\nCC CALL APPENDEXT (FILENAME2, '.TXT', .TRUE. )\nCC\nCC after execution of this code segment, \"FILENAME1\" has the value\nCC 'TEST.DAT', while \"FILENAME2\" has the value 'TEST.TXT'\nCC\nCC***********************************************************************\nCC\n SUBROUTINE Appendext (Filename, Defext, Overwrite)\nCC\nCC***********************************************************************\n CHARACTER*(*) Filename, Defext\n LOGICAL Overwrite\nC\n CALL CHRBLN (Filename, Iend)\n IF (Filename(1:1).EQ.' ' .AND. Iend.EQ.1) RETURN ! Filename empty\n Idot = INDEX (Filename, '.') ! Append extension ?\n IF (Idot.EQ.0) Filename = Filename(1:Iend)//Defext\n IF (Overwrite .AND. Idot.NE.0)\n & Filename = Filename(:Idot-1)//Defext\n RETURN\n END\n\n\n\n\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE POLY3\nC *** FINDS THE REAL ROOTS OF THE THIRD ORDER ALGEBRAIC EQUATION:\nC X**3 + A1*X**2 + A2*X + A3 = 0.0\nC THE EQUATION IS SOLVED ANALYTICALLY.\nC\nC PARAMETERS A1, A2, A3 ARE SPECIFIED BY THE USER. THE MINIMUM\nC NONEGATIVE ROOT IS RETURNED IN VARIABLE 'ROOT'. IF NO ROOT IS\nC FOUND (WHICH IS GREATER THAN ZERO), ROOT HAS THE VALUE 1D30.\nC AND THE FLAG ISLV HAS A VALUE GREATER THAN ZERO.\nC\nC SOLUTION FORMULA IS FOUND IN PAGE 32 OF:\nC MATHEMATICAL HANDBOOK OF FORMULAS AND TABLES\nC SCHAUM'S OUTLINE SERIES\nC MURRAY SPIEGER, McGRAW-HILL, NEW YORK, 1968\nC (GREEK TRANSLATION: BY SOTIRIOS PERSIDES, ESPI, ATHENS, 1976)\nC\nC A SPECIAL CASE IS CONSIDERED SEPERATELY ; WHEN A3 = 0, THEN\nC ONE ROOT IS X=0.0, AND THE OTHER TWO FROM THE SOLUTION OF THE\nC QUADRATIC EQUATION X**2 + A1*X + A2 = 0.0\nC THIS SPECIAL CASE IS CONSIDERED BECAUSE THE ANALYTICAL FORMULA\nC DOES NOT YIELD ACCURATE RESULTS (DUE TO NUMERICAL ROUNDOFF ERRORS)\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE POLY3 (A1, A2, A3, ROOT, ISLV)\nC\n IMPLICIT DOUBLE PRECISION (A-H, O-Z)\n PARAMETER (EXPON=1.D0/3.D0, ZERO=0.D0, THET1=120.D0/180.D0,\n & THET2=240.D0/180.D0, PI=3.1415926535897932, EPS=1D-50)\n DOUBLE PRECISION X(3)\nC\nC *** SPECIAL CASE : QUADRATIC*X EQUATION *****************************\nC\n IF (ABS(A3).LE.EPS) THEN\n ISLV = 1\n IX = 1\n X(1) = ZERO\n D = A1*A1-4.D0*A2\n IF (D.GE.ZERO) THEN\n IX = 3\n SQD = SQRT(D)\n X(2) = 0.5*(-A1+SQD)\n X(3) = 0.5*(-A1-SQD)\n ENDIF\n ELSE\nC\nC *** NORMAL CASE : CUBIC EQUATION ************************************\nC\nC DEFINE PARAMETERS Q, R, S, T, D\nC\n ISLV= 1\n Q = (3.D0*A2 - A1*A1)/9.D0\n R = (9.D0*A1*A2 - 27.D0*A3 - 2.D0*A1*A1*A1)/54.D0\n D = Q*Q*Q + R*R\nC\nC *** CALCULATE ROOTS *************************************************\nC\nC D < 0, THREE REAL ROOTS\nC\n IF (D.LT.-EPS) THEN ! D < -EPS : D < ZERO\n IX = 3\n THET = EXPON*ACOS(R/SQRT(-Q*Q*Q))\n COEF = 2.D0*SQRT(-Q)\n X(1) = COEF*COS(THET) - EXPON*A1\n X(2) = COEF*COS(THET + THET1*PI) - EXPON*A1\n X(3) = COEF*COS(THET + THET2*PI) - EXPON*A1\nC\nC D = 0, THREE REAL (ONE DOUBLE) ROOTS\nC\n ELSE IF (D.LE.EPS) THEN ! -EPS <= D <= EPS : D = ZERO\n IX = 2\n SSIG = SIGN (1.D0, R)\n S = SSIG*(ABS(R))**EXPON\n X(1) = 2.D0*S - EXPON*A1\n X(2) = -S - EXPON*A1\nC\nC D > 0, ONE REAL ROOT\nC\n ELSE ! D > EPS : D > ZERO\n IX = 1\n SQD = SQRT(D)\n SSIG = SIGN (1.D0, R+SQD) ! TRANSFER SIGN TO SSIG\n TSIG = SIGN (1.D0, R-SQD)\n S = SSIG*(ABS(R+SQD))**EXPON ! EXPONENTIATE ABS()\n T = TSIG*(ABS(R-SQD))**EXPON\n X(1) = S + T - EXPON*A1\n ENDIF\n ENDIF\nC\nC *** SELECT APPROPRIATE ROOT *****************************************\nC\n ROOT = 1.D30\n DO 10 I=1,IX\n IF (X(I).GT.ZERO) THEN\n ROOT = MIN (ROOT, X(I))\n ISLV = 0\n ENDIF\n10 CONTINUE\nC\nC *** END OF SUBROUTINE POLY3 *****************************************\nC\n RETURN\n END\n\n\n\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE POLY3B\nC *** FINDS A REAL ROOT OF THE THIRD ORDER ALGEBRAIC EQUATION:\nC X**3 + A1*X**2 + A2*X + A3 = 0.0\nC THE EQUATION IS SOLVED NUMERICALLY (BISECTION).\nC\nC PARAMETERS A1, A2, A3 ARE SPECIFIED BY THE USER. THE MINIMUM\nC NONEGATIVE ROOT IS RETURNED IN VARIABLE 'ROOT'. IF NO ROOT IS\nC FOUND (WHICH IS GREATER THAN ZERO), ROOT HAS THE VALUE 1D30.\nC AND THE FLAG ISLV HAS A VALUE GREATER THAN ZERO.\nC\nC RTLW, RTHI DEFINE THE INTERVAL WHICH THE ROOT IS LOOKED FOR.\nC\nC=======================================================================\nC\n SUBROUTINE POLY3B (A1, A2, A3, RTLW, RTHI, ROOT, ISLV)\nC\n IMPLICIT DOUBLE PRECISION (A-H, O-Z)\n PARAMETER (ZERO=0.D0, EPS=1D-15, MAXIT=100, NDIV=5)\nC\n FUNC(X) = X**3.d0 + A1*X**2.0 + A2*X + A3\nC\nC *** INITIAL VALUES FOR BISECTION *************************************\nC\n X1 = RTLW\n Y1 = FUNC(X1)\n IF (ABS(Y1).LE.EPS) THEN ! Is low a root?\n ROOT = RTLW\n GOTO 50\n ENDIF\nC\nC *** ROOT TRACKING ; FOR THE RANGE OF HI AND LO ***********************\nC\n DX = (RTHI-RTLW)/FLOAT(NDIV)\n DO 10 I=1,NDIV\n X2 = X1+DX\n Y2 = FUNC (X2)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y2) .LT. ZERO) GOTO 20 ! (Y1*Y2.LT.ZERO)\n X1 = X2\n Y1 = Y2\n10 CONTINUE\nC\nC *** NO SUBDIVISION WITH SOLUTION FOUND\nC\n IF (ABS(Y2) .LT. EPS) THEN ! X2 is a root\n ROOT = X2\n ELSE\n ROOT = 1.d30\n ISLV = 1\n ENDIF\n GOTO 50\nC\nC *** BISECTION *******************************************************\nC\n20 DO 30 I=1,MAXIT\n X3 = 0.5*(X1+X2)\n Y3 = FUNC (X3)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y3) .LE. ZERO) THEN ! (Y1*Y3 .LE. ZERO)\n Y2 = Y3\n X2 = X3\n ELSE\n Y1 = Y3\n X1 = X3\n ENDIF\n IF (ABS(X2-X1) .LE. EPS*X1) GOTO 40\n30 CONTINUE\nC\nC *** CONVERGED ; RETURN ***********************************************\nC\n40 X3 = 0.5*(X1+X2)\n Y3 = FUNC (X3)\n ROOT = X3\n ISLV = 0\nC\n50 RETURN\nC\nC *** END OF SUBROUTINE POLY3B *****************************************\nC\n END\n\n\n\nccc PROGRAM DRIVER\nccc DOUBLE PRECISION ROOT\ncccC\nccc CALL POLY3 (-1.d0, 1.d0, -1.d0, ROOT, ISLV)\nccc IF (ISLV.NE.0) STOP 'Error in POLY3'\nccc WRITE (*,*) 'Root=', ROOT\ncccC\nccc CALL POLY3B (-1.d0, 1.d0, -1.d0, -10.d0, 10.d0, ROOT, ISLV)\nccc IF (ISLV.NE.0) STOP 'Error in POLY3B'\nccc WRITE (*,*) 'Root=', ROOT\ncccC\nccc END\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** FUNCTION EX10\nC *** 10^X FUNCTION ; ALTERNATE OF LIBRARY ROUTINE ; USED BECAUSE IT IS\nC MUCH FASTER BUT WITHOUT GREAT LOSS IN ACCURACY. ,\nC MAXIMUM ERROR IS 2%, EXECUTION TIME IS 42% OF THE LIBRARY ROUTINE\nC (ON A 80286/80287 MACHINE, using Lahey FORTRAN 77 v.3.0).\nC\nC EXPONENT RANGE IS BETWEEN -K AND K (K IS THE REAL ARGUMENT 'K')\nC MAX VALUE FOR K: 9.999\nC IF X < -K, X IS SET TO -K, IF X > K, X IS SET TO K\nC\nC THE EXPONENT IS CALCULATED BY THE PRODUCT ADEC*AINT, WHERE ADEC\nC IS THE MANTISSA AND AINT IS THE MAGNITUDE (EXPONENT). BOTH\nC MANTISSA AND MAGNITUDE ARE PRE-CALCULATED AND STORED IN LOOKUP\nC TABLES ; THIS LEADS TO THE INCREASED SPEED.\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n FUNCTION EX10(X,K)\n REAL X, EX10, Y, AINT10, ADEC10, K\n INTEGER K1, K2\n COMMON /EXPNC/ AINT10(20), ADEC10(200)\nC\nC *** LIMIT X TO [-K, K] RANGE *****************************************\nC\n Y = MAX(-K, MIN(X,K)) ! MIN: -9.999, MAX: 9.999\nC\nC *** GET INTEGER AND DECIMAL PART *************************************\nC\n K1 = INT(Y)\n K2 = INT(100*(Y-K1))\nC\nC *** CALCULATE EXP FUNCTION *******************************************\nC\n EX10 = AINT10(K1+10)*ADEC10(K2+100)\nC\nC *** END OF EXP FUNCTION **********************************************\nC\n RETURN\n END\n\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** BLOCK DATA EXPON\nC *** CONTAINS DATA FOR EXPONENT ARRAYS NEEDED IN FUNCTION EXP10\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n BLOCK DATA EXPON\nC\nC *** Common block definition\nC\n REAL AINT10, ADEC10\n COMMON /EXPNC/ AINT10(20), ADEC10(200)\nC\nC *** Integer part\nC\n DATA AINT10/\n & 0.1000E-08, 0.1000E-07, 0.1000E-06, 0.1000E-05, 0.1000E-04,\n & 0.1000E-03, 0.1000E-02, 0.1000E-01, 0.1000E+00, 0.1000E+01,\n & 0.1000E+02, 0.1000E+03, 0.1000E+04, 0.1000E+05, 0.1000E+06,\n & 0.1000E+07, 0.1000E+08, 0.1000E+09, 0.1000E+10, 0.1000E+11\n & /\nC\nC *** decimal part\nC\n DATA (ADEC10(I),I=1,200)/\n & 0.1023E+00, 0.1047E+00, 0.1072E+00, 0.1096E+00, 0.1122E+00,\n & 0.1148E+00, 0.1175E+00, 0.1202E+00, 0.1230E+00, 0.1259E+00,\n & 0.1288E+00, 0.1318E+00, 0.1349E+00, 0.1380E+00, 0.1413E+00,\n & 0.1445E+00, 0.1479E+00, 0.1514E+00, 0.1549E+00, 0.1585E+00,\n & 0.1622E+00, 0.1660E+00, 0.1698E+00, 0.1738E+00, 0.1778E+00,\n & 0.1820E+00, 0.1862E+00, 0.1905E+00, 0.1950E+00, 0.1995E+00,\n & 0.2042E+00, 0.2089E+00, 0.2138E+00, 0.2188E+00, 0.2239E+00,\n & 0.2291E+00, 0.2344E+00, 0.2399E+00, 0.2455E+00, 0.2512E+00,\n & 0.2570E+00, 0.2630E+00, 0.2692E+00, 0.2754E+00, 0.2818E+00,\n & 0.2884E+00, 0.2951E+00, 0.3020E+00, 0.3090E+00, 0.3162E+00,\n & 0.3236E+00, 0.3311E+00, 0.3388E+00, 0.3467E+00, 0.3548E+00,\n & 0.3631E+00, 0.3715E+00, 0.3802E+00, 0.3890E+00, 0.3981E+00,\n & 0.4074E+00, 0.4169E+00, 0.4266E+00, 0.4365E+00, 0.4467E+00,\n & 0.4571E+00, 0.4677E+00, 0.4786E+00, 0.4898E+00, 0.5012E+00,\n & 0.5129E+00, 0.5248E+00, 0.5370E+00, 0.5495E+00, 0.5623E+00,\n & 0.5754E+00, 0.5888E+00, 0.6026E+00, 0.6166E+00, 0.6310E+00,\n & 0.6457E+00, 0.6607E+00, 0.6761E+00, 0.6918E+00, 0.7079E+00,\n & 0.7244E+00, 0.7413E+00, 0.7586E+00, 0.7762E+00, 0.7943E+00,\n & 0.8128E+00, 0.8318E+00, 0.8511E+00, 0.8710E+00, 0.8913E+00,\n & 0.9120E+00, 0.9333E+00, 0.9550E+00, 0.9772E+00, 0.1000E+01,\n & 0.1023E+01, 0.1047E+01, 0.1072E+01, 0.1096E+01, 0.1122E+01,\n & 0.1148E+01, 0.1175E+01, 0.1202E+01, 0.1230E+01, 0.1259E+01,\n & 0.1288E+01, 0.1318E+01, 0.1349E+01, 0.1380E+01, 0.1413E+01,\n & 0.1445E+01, 0.1479E+01, 0.1514E+01, 0.1549E+01, 0.1585E+01,\n & 0.1622E+01, 0.1660E+01, 0.1698E+01, 0.1738E+01, 0.1778E+01,\n & 0.1820E+01, 0.1862E+01, 0.1905E+01, 0.1950E+01, 0.1995E+01,\n & 0.2042E+01, 0.2089E+01, 0.2138E+01, 0.2188E+01, 0.2239E+01,\n & 0.2291E+01, 0.2344E+01, 0.2399E+01, 0.2455E+01, 0.2512E+01,\n & 0.2570E+01, 0.2630E+01, 0.2692E+01, 0.2754E+01, 0.2818E+01,\n & 0.2884E+01, 0.2951E+01, 0.3020E+01, 0.3090E+01, 0.3162E+01,\n & 0.3236E+01, 0.3311E+01, 0.3388E+01, 0.3467E+01, 0.3548E+01,\n & 0.3631E+01, 0.3715E+01, 0.3802E+01, 0.3890E+01, 0.3981E+01,\n & 0.4074E+01, 0.4169E+01, 0.4266E+01, 0.4365E+01, 0.4467E+01,\n & 0.4571E+01, 0.4677E+01, 0.4786E+01, 0.4898E+01, 0.5012E+01,\n & 0.5129E+01, 0.5248E+01, 0.5370E+01, 0.5495E+01, 0.5623E+01,\n & 0.5754E+01, 0.5888E+01, 0.6026E+01, 0.6166E+01, 0.6310E+01,\n & 0.6457E+01, 0.6607E+01, 0.6761E+01, 0.6918E+01, 0.7079E+01,\n & 0.7244E+01, 0.7413E+01, 0.7586E+01, 0.7762E+01, 0.7943E+01,\n & 0.8128E+01, 0.8318E+01, 0.8511E+01, 0.8710E+01, 0.8913E+01,\n & 0.9120E+01, 0.9333E+01, 0.9550E+01, 0.9772E+01, 0.1000E+02\n & /\nC\nC *** END OF BLOCK DATA EXPON ******************************************\nC\n END\n\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE PUSHERR\nC *** THIS SUBROUTINE SAVES AN ERROR MESSAGE IN THE ERROR STACK\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE PUSHERR (IERR,ERRINF)\n INCLUDE 'isrpia.inc'\n CHARACTER ERRINF*(*)\nC\nC *** SAVE ERROR CODE IF THERE IS ANY SPACE ***************************\nC\n IF (NOFER.LT.NERRMX) THEN\n NOFER = NOFER + 1\n ERRSTK(NOFER) = IERR\n ERRMSG(NOFER) = ERRINF\n STKOFL =.FALSE.\n ELSE\n STKOFL =.TRUE. ! STACK OVERFLOW\n ENDIF\nC\nC *** END OF SUBROUTINE PUSHERR ****************************************\nC\n END\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE ISERRINF\nC *** THIS SUBROUTINE OBTAINS A COPY OF THE ERROR STACK (& MESSAGES)\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE ISERRINF (ERRSTKI, ERRMSGI, NOFERI, STKOFLI)\n INCLUDE 'isrpia.inc'\n CHARACTER ERRMSGI*40\n INTEGER ERRSTKI\n LOGICAL STKOFLI\n DIMENSION ERRMSGI(NERRMX), ERRSTKI(NERRMX)\nC\nC *** OBTAIN WHOLE ERROR STACK ****************************************\nC\n DO 10 I=1,NOFER ! Error messages & codes\n ERRSTKI(I) = ERRSTK(I)\n ERRMSGI(I) = ERRMSG(I)\n 10 CONTINUE\nC\n STKOFLI = STKOFL\n NOFERI = NOFER\nC\n RETURN\nC\nC *** END OF SUBROUTINE ISERRINF ***************************************\nC\n END\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE ERRSTAT\nC *** THIS SUBROUTINE REPORTS ERROR MESSAGES TO UNIT 'IO'\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE ERRSTAT (IO,IERR,ERRINF)\n INCLUDE 'isrpia.inc'\n CHARACTER CER*4, NCIS*29, NCIF*27, NSIS*26, NSIF*24, ERRINF*(*)\n DATA NCIS /'NO CONVERGENCE IN SUBROUTINE '/,\n & NCIF /'NO CONVERGENCE IN FUNCTION ' /,\n & NSIS /'NO SOLUTION IN SUBROUTINE ' /,\n & NSIF /'NO SOLUTION IN FUNCTION ' /\nC\nC *** WRITE ERROR IN CHARACTER *****************************************\nC\n WRITE (CER,'(I4)') IERR\n CALL RPLSTR (CER, ' ', '0',IOK) ! REPLACE BLANKS WITH ZEROS\n CALL CHRBLN (ERRINF, IEND) ! LAST POSITION OF ERRINF CHAR\nC\nC *** WRITE ERROR TYPE (FATAL, WARNING ) *******************************\nC\n IF (IERR.EQ.0) THEN\n WRITE (IO,1000) 'NO ERRORS DETECTED '\n GOTO 10\nC\n ELSE IF (IERR.LT.0) THEN\n WRITE (IO,1000) 'ERROR STACK EXHAUSTED '\n GOTO 10\nC\n ELSE IF (IERR.GT.1000) THEN\n WRITE (IO,1100) 'FATAL',CER\nC\n ELSE\n WRITE (IO,1100) 'WARNING',CER\n ENDIF\nC\nC *** WRITE ERROR MESSAGE **********************************************\nC\nC FATAL MESSAGES\nC\n IF (IERR.EQ.1001) THEN\n CALL CHRBLN (SCASE, IEND)\n WRITE (IO,1000) 'CASE NOT SUPPORTED IN CALCMR ['//SCASE(1:IEND)\n & //']'\nC\n ELSEIF (IERR.EQ.1002) THEN\n CALL CHRBLN (SCASE, IEND)\n WRITE (IO,1000) 'CASE NOT SUPPORTED ['//SCASE(1:IEND)//']'\nC\nC WARNING MESSAGES\nC\n ELSEIF (IERR.EQ.0001) THEN\n WRITE (IO,1000) NSIS,ERRINF\nC\n ELSEIF (IERR.EQ.0002) THEN\n WRITE (IO,1000) NCIS,ERRINF\nC\n ELSEIF (IERR.EQ.0003) THEN\n WRITE (IO,1000) NSIF,ERRINF\nC\n ELSEIF (IERR.EQ.0004) THEN\n WRITE (IO,1000) NCIF,ERRINF\nC\n ELSE IF (IERR.EQ.0019) THEN\n WRITE (IO,1000) 'HNO3(aq) AFFECTS H+, WHICH '//\n & 'MIGHT AFFECT SO4/HSO4 RATIO'\n WRITE (IO,1000) 'DIRECT INCREASE IN H+ [',ERRINF(1:IEND),'] %'\nC\n ELSE IF (IERR.EQ.0020) THEN\n IF (W(4).GT.TINY .AND. W(5).GT.TINY) THEN\n WRITE (IO,1000) 'HSO4-SO4 EQUILIBRIUM MIGHT AFFECT HNO3,'\n & //'HCL DISSOLUTION'\n ELSE\n WRITE (IO,1000) 'HSO4-SO4 EQUILIBRIUM MIGHT AFFECT NH3 '\n & //'DISSOLUTION'\n ENDIF\n WRITE (IO,1000) 'DIRECT DECREASE IN H+ [',ERRINF(1:IEND),'] %'\nC\n ELSE IF (IERR.EQ.0021) THEN\n WRITE (IO,1000) 'HNO3(aq),HCL(aq) AFFECT H+, WHICH '//\n & 'MIGHT AFFECT SO4/HSO4 RATIO'\n WRITE (IO,1000) 'DIRECT INCREASE IN H+ [',ERRINF(1:IEND),'] %'\nC\n ELSE IF (IERR.EQ.0022) THEN\n WRITE (IO,1000) 'HCL(g) EQUILIBRIUM YIELDS NONPHYSICAL '//\n & 'DISSOLUTION'\n WRITE (IO,1000) 'A TINY AMOUNT [',ERRINF(1:IEND),'] IS '//\n & 'ASSUMED TO BE DISSOLVED'\nC\n ELSEIF (IERR.EQ.0033) THEN\n WRITE (IO,1000) 'HCL(aq) AFFECTS H+, WHICH '//\n & 'MIGHT AFFECT SO4/HSO4 RATIO'\n WRITE (IO,1000) 'DIRECT INCREASE IN H+ [',ERRINF(1:IEND),'] %'\nC\n ELSEIF (IERR.EQ.0050) THEN\n WRITE (IO,1000) 'TOO MUCH SODIUM GIVEN AS INPUT.'\n WRITE (IO,1000) 'REDUCED TO COMPLETELY NEUTRALIZE SO4,Cl,NO3.'\n WRITE (IO,1000) 'EXCESS SODIUM IS IGNORED.'\nC\n ELSEIF (IERR.EQ.0051) THEN\n WRITE (IO,1000) 'TOO MUCH CALCIUM GIVEN AS INPUT.'\n WRITE (IO,1000) 'REDUCED TO COMPLETELY NEUTRALIZE SO4,Cl,NO3.'\n WRITE (IO,1000) 'EXCESS CALCIUM IS IGNORED.'\nC\n ELSEIF (IERR.EQ.0052) THEN\n WRITE (IO,1000) 'TOO MUCH SODIUM (+Ca) GIVEN AS INPUT.'\n WRITE (IO,1000) 'REDUCED TO COMPLETELY NEUTRALIZE SO4,Cl,NO3.'\n WRITE (IO,1000) 'EXCESS SODIUM IS IGNORED.'\nC\n ELSEIF (IERR.EQ.0053) THEN\n WRITE (IO,1000) 'TOO MUCH MAGNESIUM (+Ca,Na) GIVEN AS INPUT.'\n WRITE (IO,1000) 'REDUCED TO COMPLETELY NEUTRALIZE SO4,Cl,NO3.'\n WRITE (IO,1000) 'EXCESS MAGNESIUM IS IGNORED.'\nC\n ELSEIF (IERR.EQ.0054) THEN\n WRITE (IO,1000) 'TOO MUCH POTASSIUM(+Ca,Na,Mg) GIVEN AS INPUT.'\n WRITE (IO,1000) 'REDUCED TO COMPLETELY NEUTRALIZE SO4,Cl,NO3.'\n WRITE (IO,1000) 'EXCESS POTASSIUM IS IGNORED.'\nC\n ELSE\n WRITE (IO,1000) 'NO DIAGNOSTIC MESSAGE AVAILABLE'\n ENDIF\nC\n10 RETURN\nC\nC *** FORMAT STATEMENTS *************************************\nC\n1000 FORMAT (1X,A:A:A:A:A)\n1100 FORMAT (1X,A,' ERROR [',A4,']:')\nC\nC *** END OF SUBROUTINE ERRSTAT *****************************\nC\n END\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE ISORINF\nC *** THIS SUBROUTINE PROVIDES INFORMATION ABOUT ISORROPIA\nC\nC ======================== ARGUMENTS / USAGE ===========================\nC\nC OUTPUT:\nC 1. [VERSI]\nC CHARACTER*15 variable.\nC Contains version-date information of ISORROPIA\nC\nC 2. [NCMP]\nC INTEGER variable.\nC The number of components needed in input array WI\nC (or, the number of major species accounted for by ISORROPIA)\nC\nC 3. [NION]\nC INTEGER variable\nC The number of ions considered in the aqueous phase\nC\nC 4. [NAQGAS]\nC INTEGER variable\nC The number of undissociated species found in aqueous aerosol\nC phase\nC\nC 5. [NSOL]\nC INTEGER variable\nC The number of solids considered in the solid aerosol phase\nC\nC 6. [NERR]\nC INTEGER variable\nC The size of the error stack (maximum number of errors that can\nC be stored before the stack exhausts).\nC\nC 7. [TIN]\nC DOUBLE PRECISION variable\nC The value used for a very small number.\nC\nC 8. [GRT]\nC DOUBLE PRECISION variable\nC The value used for a very large number.\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE ISORINF (VERSI, NCMP, NION, NAQGAS, NSOL, NERR, TIN,\n & GRT)\n INCLUDE 'isrpia.inc'\n CHARACTER VERSI*(*)\nC\nC *** ASSIGN INFO *******************************************************\nC\n VERSI = VERSION\n NCMP = NCOMP\n NION = NIONS\n NAQGAS = NGASAQ\n NSOL = NSLDS\n NERR = NERRMX\n TIN = TINY\n GRT = GREAT\nC\n RETURN\nC\nC *** END OF SUBROUTINE ISORINF *******************************************\nC\n END\n" }, { "path": "CCTM/src/aero/aero6/isofwd.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE ISRP1F\nC *** THIS SUBROUTINE IS THE DRIVER ROUTINE FOR THE FOREWARD PROBLEM OF \nC AN AMMONIUM-SULFATE AEROSOL SYSTEM. \nC THE COMPOSITION REGIME IS DETERMINED BY THE SULFATE RATIO AND BY \nC THE AMBIENT RELATIVE HUMIDITY.\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE ISRP1F (WI, RHI, TEMPI)\n INCLUDE 'isrpia.inc'\n DIMENSION WI(NCOMP)\nC\nC *** INITIALIZE ALL VARIABLES IN COMMON BLOCK **************************\nC\n CALL INIT1 (WI, RHI, TEMPI)\nC\nC *** CALCULATE SULFATE RATIO *******************************************\nC\n SULRAT = W(3)/W(2)\nC\nC *** FIND CALCULATION REGIME FROM (SULRAT,RH) **************************\nC\nC *** SULFATE POOR \nC\n IF (2.0.LE.SULRAT) THEN \n DC = W(3) - 2.001D0*W(2) ! For numerical stability\n W(3) = W(3) + MAX(-DC, ZERO)\nC\n IF(METSTBL.EQ.1) THEN\n SCASE = 'A2'\n CALL CALCA2 ! Only liquid (metastable)\n ELSE\nC\n IF (RH.LT.DRNH42S4) THEN \n SCASE = 'A1'\n CALL CALCA1 ! NH42SO4 ; case A1\nC\n ELSEIF (DRNH42S4.LE.RH) THEN\n SCASE = 'A2'\n CALL CALCA2 ! Only liquid ; case A2\n ENDIF\n ENDIF\nC\nC *** SULFATE RICH (NO ACID)\nC\n ELSEIF (1.0.LE.SULRAT .AND. SULRAT.LT.2.0) THEN \nC\n IF(METSTBL.EQ.1) THEN\n SCASE = 'B4'\n CALL CALCB4 ! Only liquid (metastable)\n ELSE\nC\n IF (RH.LT.DRNH4HS4) THEN \n SCASE = 'B1'\n CALL CALCB1 ! NH4HSO4,LC,NH42SO4 ; case B1\nC\n ELSEIF (DRNH4HS4.LE.RH .AND. RH.LT.DRLC) THEN \n SCASE = 'B2'\n CALL CALCB2 ! LC,NH42S4 ; case B2\nC\n ELSEIF (DRLC.LE.RH .AND. RH.LT.DRNH42S4) THEN \n SCASE = 'B3'\n CALL CALCB3 ! NH42S4 ; case B3\nC\n ELSEIF (DRNH42S4.LE.RH) THEN \n SCASE = 'B4'\n CALL CALCB4 ! Only liquid ; case B4\n ENDIF\n ENDIF\n\nc modified by Wenxian Zhang for DDM sensitivity calculation\n DO I = 1,NIONS\n MOLALD(I) = MOLAL(I)\n ENDDO\n GNH3D = GNH3\n GHNO3D = GHNO3\n GHCLD = GHCL\n\n CALL CALCNH3\nC\nC *** SULFATE RICH (FREE ACID)\nC\n ELSEIF (SULRAT.LT.1.0) THEN \nC\n IF(METSTBL.EQ.1) THEN\n SCASE = 'C2'\n CALL CALCC2 ! Only liquid (metastable)\n ELSE\nC\n IF (RH.LT.DRNH4HS4) THEN \n SCASE = 'C1'\n CALL CALCC1 ! NH4HSO4 ; case C1\nC\n ELSEIF (DRNH4HS4.LE.RH) THEN \n SCASE = 'C2'\n CALL CALCC2 ! Only liquid ; case C2\nC\n ENDIF\n ENDIF\n\nc modified by Wenxian Zhang for DDM sensitivity calculation\n DO I = 1,NIONS\n MOLALD(I) = MOLAL(I)\n ENDDO\n GNH3D = GNH3\n GHNO3D = GHNO3\n GHCLD = GHCL\n\n CALL CALCNH3\n ENDIF\nC\nC *** RETURN POINT\nC\n RETURN\nC\nC *** END OF SUBROUTINE ISRP1F *****************************************\nC\n END\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE ISRP2F\nC *** THIS SUBROUTINE IS THE DRIVER ROUTINE FOR THE FOREWARD PROBLEM OF \nC AN AMMONIUM-SULFATE-NITRATE AEROSOL SYSTEM. \nC THE COMPOSITION REGIME IS DETERMINED BY THE SULFATE RATIO AND BY\nC THE AMBIENT RELATIVE HUMIDITY.\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE ISRP2F (WI, RHI, TEMPI)\n INCLUDE 'isrpia.inc'\n DIMENSION WI(NCOMP)\nC\nC *** INITIALIZE ALL VARIABLES IN COMMON BLOCK **************************\nC\n CALL INIT2 (WI, RHI, TEMPI)\nC\nC *** CALCULATE SULFATE RATIO *******************************************\nC\n SULRAT = W(3)/W(2)\nC\nC *** FIND CALCULATION REGIME FROM (SULRAT,RH) **************************\nC\nC *** SULFATE POOR \nC\n IF (2.0.LE.SULRAT) THEN \nC\n IF(METSTBL.EQ.1) THEN\n SCASE = 'D3'\n CALL CALCD3 ! Only liquid (metastable)\n ELSE\nC\n IF (RH.LT.DRNH4NO3) THEN \n SCASE = 'D1'\n CALL CALCD1 ! NH42SO4,NH4NO3 ; case D1\nC\n ELSEIF (DRNH4NO3.LE.RH .AND. RH.LT.DRNH42S4) THEN \n SCASE = 'D2'\n CALL CALCD2 ! NH42S4 ; case D2\nC\n ELSEIF (DRNH42S4.LE.RH) THEN\n SCASE = 'D3'\n CALL CALCD3 ! Only liquid ; case D3\n ENDIF\n ENDIF\nC\nC *** SULFATE RICH (NO ACID)\nC FOR SOLVING THIS CASE, NITRIC ACID IS ASSUMED A MINOR SPECIES, \nC THAT DOES NOT SIGNIFICANTLY PERTURB THE HSO4-SO4 EQUILIBRIUM.\nC SUBROUTINES CALCB? ARE CALLED, AND THEN THE NITRIC ACID IS DISSOLVED\nC FROM THE HNO3(G) -> (H+) + (NO3-) EQUILIBRIUM.\nC\n ELSEIF (1.0.LE.SULRAT .AND. SULRAT.LT.2.0) THEN \nC\n IF(METSTBL.EQ.1) THEN\n SCASE = 'B4'\n CALL CALCB4 ! Only liquid (metastable)\n SCASE = 'E4'\n ELSE\nC\n IF (RH.LT.DRNH4HS4) THEN \n SCASE = 'B1'\n CALL CALCB1 ! NH4HSO4,LC,NH42SO4 ; case E1\n SCASE = 'E1'\nC\n ELSEIF (DRNH4HS4.LE.RH .AND. RH.LT.DRLC) THEN \n SCASE = 'B2'\n CALL CALCB2 ! LC,NH42S4 ; case E2\n SCASE = 'E2'\nC\n ELSEIF (DRLC.LE.RH .AND. RH.LT.DRNH42S4) THEN \n SCASE = 'B3'\n CALL CALCB3 ! NH42S4 ; case E3\n SCASE = 'E3'\nC\n ELSEIF (DRNH42S4.LE.RH) THEN \n SCASE = 'B4'\n CALL CALCB4 ! Only liquid ; case E4\n SCASE = 'E4'\n ENDIF\n ENDIF\nC\nC *** SAVE MOLAL BEFORE ADJUSTMENT FOR DDM CALCULATION ****************\nC By Wenxian Zhang\nC\n DO I = 1,NIONS\n MOLALD(I) = MOLAL(I)\n ENDDO\n GHNO3D = GHNO3\n GNH3D = GNH3\n GHCLD = GHCL\nC\n CALL CALCNA ! HNO3(g) DISSOLUTION\nC\nC *** SULFATE RICH (FREE ACID)\nC FOR SOLVING THIS CASE, NITRIC ACID IS ASSUMED A MINOR SPECIES, \nC THAT DOES NOT SIGNIFICANTLY PERTURB THE HSO4-SO4 EQUILIBRIUM\nC SUBROUTINE CALCC? IS CALLED, AND THEN THE NITRIC ACID IS DISSOLVED\nC FROM THE HNO3(G) -> (H+) + (NO3-) EQUILIBRIUM.\nC\n ELSEIF (SULRAT.LT.1.0) THEN \nC\n IF(METSTBL.EQ.1) THEN\n SCASE = 'C2'\n CALL CALCC2 ! Only liquid (metastable)\n SCASE = 'F2'\n ELSE\nC\n IF (RH.LT.DRNH4HS4) THEN \n SCASE = 'C1'\n CALL CALCC1 ! NH4HSO4 ; case F1\n SCASE = 'F1'\nC\n ELSEIF (DRNH4HS4.LE.RH) THEN \n SCASE = 'C2'\n CALL CALCC2 ! Only liquid ; case F2\n SCASE = 'F2'\n ENDIF\n ENDIF\nC\nC *** SAVE MOLAL BEFORE ADJUSTMENT FOR DDM CALCULATION ****************\nC\n DO I = 1,NIONS\n MOLALD(I) = MOLAL(I)\n ENDDO\n GHNO3D = GHNO3\n GNH3D = GNH3\n GHCLD = GHCL\nC\n CALL CALCNA ! HNO3(g) DISSOLUTION\n ENDIF\nC\nC *** RETURN POINT\nC\n RETURN\nC\nC *** END OF SUBROUTINE ISRP2F *****************************************\nC\n END\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE ISRP3F\nC *** THIS SUBROUTINE IS THE DRIVER ROUTINE FOR THE FORWARD PROBLEM OF\nC AN AMMONIUM-SULFATE-NITRATE-CHLORIDE-SODIUM AEROSOL SYSTEM. \nC THE COMPOSITION REGIME IS DETERMINED BY THE SULFATE & SODIUM \nC RATIOS AND BY THE AMBIENT RELATIVE HUMIDITY.\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE ISRP3F (WI, RHI, TEMPI)\n INCLUDE 'isrpia.inc'\n DIMENSION WI(NCOMP)\nC\nC *** ADJUST FOR TOO LITTLE AMMONIUM AND CHLORIDE ***********************\nC\n WI(3) = MAX (WI(3), 1.D-10) ! NH4+ : 1e-4 umoles/m3\n WI(5) = MAX (WI(5), 1.D-10) ! Cl- : 1e-4 umoles/m3\nC\nC *** ADJUST FOR TOO LITTLE SODIUM, SULFATE AND NITRATE COMBINED ********\nC\n IF (WI(1)+WI(2)+WI(4) .LE. 1d-10) THEN\n WI(1) = 1.D-10 ! Na+ : 1e-4 umoles/m3\n WI(2) = 1.D-10 ! SO4- : 1e-4 umoles/m3\n ENDIF\nC\nC *** INITIALIZE ALL VARIABLES IN COMMON BLOCK **************************\nC\n CALL ISOINIT3 (WI, RHI, TEMPI)\nC\nC *** CHECK IF TOO MUCH SODIUM ; ADJUST AND ISSUE ERROR MESSAGE *********\nC\n REST = 2.D0*W(2) + W(4) + W(5) \n IF (W(1).GT.REST) THEN ! NA > 2*SO4+CL+NO3 ?\n W(1) = (ONE-1D-6)*REST ! Adjust Na amount\n CALL PUSHERR (0050, 'ISRP3F') ! Warning error: Na adjusted\n ENDIF\nC\nC *** CALCULATE SULFATE & SODIUM RATIOS *********************************\nC\n SULRAT = (W(1)+W(3))/W(2)\n SODRAT = W(1)/W(2)\nC\nC *** FIND CALCULATION REGIME FROM (SULRAT,RH) **************************\n\nC *** SULFATE POOR ; SODIUM POOR\nC\n IF (2.0.LE.SULRAT .AND. SODRAT.LT.2.0) THEN \nC\n IF(METSTBL.EQ.1) THEN\n SCASE = 'G5'\n CALL CALCG5 ! Only liquid (metastable)\n ELSE\nC\n IF (RH.LT.DRNH4NO3) THEN \n SCASE = 'G1'\n CALL CALCG1 ! NH42SO4,NH4NO3,NH4CL,NA2SO4\nC\n ELSEIF (DRNH4NO3.LE.RH .AND. RH.LT.DRNH4CL) THEN \n SCASE = 'G2'\n CALL CALCG2 ! NH42SO4,NH4CL,NA2SO4\nC\n ELSEIF (DRNH4CL.LE.RH .AND. RH.LT.DRNH42S4) THEN \n SCASE = 'G3'\n CALL CALCG3 ! NH42SO4,NA2SO4\nC \n ELSEIF (DRNH42S4.LE.RH .AND. RH.LT.DRNA2SO4) THEN \n SCASE = 'G4'\n CALL CALCG4 ! NA2SO4\nC\n ELSEIF (DRNA2SO4.LE.RH) THEN \n SCASE = 'G5'\n CALL CALCG5 ! Only liquid\n ENDIF\n ENDIF\nC\nC *** SULFATE POOR ; SODIUM RICH\nC\n ELSE IF (SULRAT.GE.2.0 .AND. SODRAT.GE.2.0) THEN \nC\n IF(METSTBL.EQ.1) THEN\n SCASE = 'H6'\n CALL CALCH6 ! Only liquid (metastable)\n ELSE\nC\n IF (RH.LT.DRNH4NO3) THEN \n SCASE = 'H1'\n CALL CALCH1 ! NH4NO3,NH4CL,NA2SO4,NACL,NANO3\nC\n ELSEIF (DRNH4NO3.LE.RH .AND. RH.LT.DRNANO3) THEN \n SCASE = 'H2'\n CALL CALCH2 ! NH4CL,NA2SO4,NACL,NANO3\nC\n ELSEIF (DRNANO3.LE.RH .AND. RH.LT.DRNACL) THEN \n SCASE = 'H3'\n CALL CALCH3 ! NH4CL,NA2SO4,NACL\nC\n ELSEIF (DRNACL.LE.RH .AND. RH.LT.DRNH4Cl) THEN \n SCASE = 'H4'\n CALL CALCH4 ! NH4CL,NA2SO4\nC\n ELSEIF (DRNH4Cl.LE.RH .AND. RH.LT.DRNA2SO4) THEN \n SCASE = 'H5'\n CALL CALCH5 ! NA2SO4\nC\n ELSEIF (DRNA2SO4.LE.RH) THEN \n SCASE = 'H6'\n CALL CALCH6 ! NO SOLID\n ENDIF\n ENDIF\nC\nC *** SULFATE RICH (NO ACID) \nC\n ELSEIF (1.0.LE.SULRAT .AND. SULRAT.LT.2.0) THEN \nC\n IF(METSTBL.EQ.1) THEN\n SCASE = 'I6'\n CALL CALCI6 ! Only liquid (metastable)\n ELSE\nC\n IF (RH.LT.DRNH4HS4) THEN \n SCASE = 'I1'\n CALL CALCI1 ! NA2SO4,(NH4)2SO4,NAHSO4,NH4HSO4,LC\nC\n ELSEIF (DRNH4HS4.LE.RH .AND. RH.LT.DRNAHSO4) THEN \n SCASE = 'I2'\n CALL CALCI2 ! NA2SO4,(NH4)2SO4,NAHSO4,LC\nC\n ELSEIF (DRNAHSO4.LE.RH .AND. RH.LT.DRLC) THEN \n SCASE = 'I3'\n CALL CALCI3 ! NA2SO4,(NH4)2SO4,LC\nC\n ELSEIF (DRLC.LE.RH .AND. RH.LT.DRNH42S4) THEN \n SCASE = 'I4'\n CALL CALCI4 ! NA2SO4,(NH4)2SO4\nC\n ELSEIF (DRNH42S4.LE.RH .AND. RH.LT.DRNA2SO4) THEN \n SCASE = 'I5'\n CALL CALCI5 ! NA2SO4\nC\n ELSEIF (DRNA2SO4.LE.RH) THEN \n SCASE = 'I6'\n CALL CALCI6 ! NO SOLIDS\n ENDIF\n ENDIF\nC \nC *** SAVE MOLAL BEFORE ADJUSTMENT FOR DDM CALCULATION ****************\nC\n DO I = 1,NIONS\n MOLALD(I) = MOLAL(I)\n ENDDO\n GHNO3D = GHNO3\n GNH3D = GNH3\n GHCLD = GHCL\nC\n CALL CALCNHA ! MINOR SPECIES: HNO3, HCl \n CALL CALCNH3 ! NH3 \nC\nC *** SULFATE RICH (FREE ACID)\nC\n ELSEIF (SULRAT.LT.1.0) THEN \nC\n IF(METSTBL.EQ.1) THEN\n SCASE = 'J3'\n CALL CALCJ3 ! Only liquid (metastable)\n ELSE\nC\n IF (RH.LT.DRNH4HS4) THEN \n SCASE = 'J1'\n CALL CALCJ1 ! NH4HSO4,NAHSO4\nC\n ELSEIF (DRNH4HS4.LE.RH .AND. RH.LT.DRNAHSO4) THEN \n SCASE = 'J2'\n CALL CALCJ2 ! NAHSO4\nC\n ELSEIF (DRNAHSO4.LE.RH) THEN \n SCASE = 'J3'\n CALL CALCJ3 \n ENDIF\n ENDIF\nC \n DO I = 1,NIONS\n MOLALD(I) = MOLAL(I)\n ENDDO\n GHNO3D = GHNO3\n GNH3D = GNH3\n GHCLD = GHCL\nC\n CALL CALCNHA ! MINOR SPECIES: HNO3, HCl \n CALL CALCNH3 ! NH3 \n ENDIF\nC\nC *** RETURN POINT\nC\n RETURN\nC\nC *** END OF SUBROUTINE ISRP3F *****************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE ISRP4F\nC *** THIS SUBROUTINE IS THE DRIVER ROUTINE FOR THE FORWARD PROBLEM OF\nC AN AMMONIUM-SULFATE-NITRATE-CHLORIDE-SODIUM-CALCIUM-POTASSIUM-MAGNESIUM\nC AEROSOL SYSTEM.\nC THE COMPOSITION REGIME IS DETERMINED BY THE SULFATE & SODIUM\nC RATIOS AND BY THE AMBIENT RELATIVE HUMIDITY.\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE ISRP4F (WI, RHI, TEMPI)\n INCLUDE 'isrpia.inc'\n DIMENSION WI(NCOMP)\n DOUBLE PRECISION NAFRI, NO3FRI\nC\nC *** ADJUST FOR TOO LITTLE AMMONIUM AND CHLORIDE ***********************\nC\n WI(3) = MAX (WI(3), 1.D-10) ! NH4+ : 1e-4 umoles/m3\n WI(5) = MAX (WI(5), 1.D-10) ! Cl- : 1e-4 umoles/m3\nC\nC *** ADJUST FOR TOO LITTLE SODIUM, SULFATE AND NITRATE COMBINED ********\nC\n IF (WI(1)+WI(2)+WI(4) .LE. 1d-10) THEN\n WI(1) = 1.D-10 ! Na+ : 1e-4 umoles/m3\n WI(2) = 1.D-10 ! SO4- : 1e-4 umoles/m3\n ENDIF\nC\nC *** INITIALIZE ALL VARIABLES IN COMMON BLOCK **************************\nC\n CALL INIT4 (WI, RHI, TEMPI)\nC\nC *** CHECK IF TOO MUCH SODIUM+CRUSTALS ; ADJUST AND ISSUE ERROR MESSAGE\nC\n REST = 2.D0*W(2) + W(4) + W(5)\nC\n IF (W(1)+W(6)+W(7)+W(8).GT.REST) THEN\nC\n CCASO4I = MIN (W(2),W(6))\n FRSO4I = MAX (W(2) - CCASO4I, ZERO)\n CAFRI = MAX (W(6) - CCASO4I, ZERO)\n CCANO32I = MIN (CAFRI, 0.5D0*W(4))\n CAFRI = MAX (CAFRI - CCANO32I, ZERO)\n NO3FRI = MAX (W(4) - 2.D0*CCANO32I, ZERO)\n CCACL2I = MIN (CAFRI, 0.5D0*W(5))\n CLFRI = MAX (W(5) - 2.D0*CCACL2I, ZERO)\n REST1 = 2.D0*FRSO4I + NO3FRI + CLFRI\nC\n CNA2SO4I = MIN (FRSO4I, 0.5D0*W(1))\n FRSO4I = MAX (FRSO4I - CNA2SO4I, ZERO)\n NAFRI = MAX (W(1) - 2.D0*CNA2SO4I, ZERO)\n CNACLI = MIN (NAFRI, CLFRI)\n NAFRI = MAX (NAFRI - CNACLI, ZERO)\n CLFRI = MAX (CLFRI - CNACLI, ZERO)\n CNANO3I = MIN (NAFRI, NO3FRI)\n NO3FR = MAX (NO3FRI - CNANO3I, ZERO)\n REST2 = 2.D0*FRSO4I + NO3FRI + CLFRI\nC\n CMGSO4I = MIN (FRSO4I, W(8))\n FRMGI = MAX (W(8) - CMGSO4I, ZERO)\n FRSO4I = MAX (FRSO4I - CMGSO4I, ZERO)\n CMGNO32I = MIN (FRMGI, 0.5D0*NO3FRI)\n FRMGI = MAX (FRMGI - CMGNO32I, ZERO)\n NO3FRI = MAX (NO3FRI - 2.D0*CMGNO32I, ZERO)\n CMGCL2I = MIN (FRMGI, 0.5D0*CLFRI)\n CLFRI = MAX (CLFRI - 2.D0*CMGCL2I, ZERO)\n REST3 = 2.D0*FRSO4I + NO3FRI + CLFRI\nC\n IF (W(6).GT.REST) THEN ! Ca > 2*SO4+CL+NO3 ?\n W(6) = (ONE-1D-6)*REST ! Adjust Ca amount\n W(1)= ZERO ! Adjust Na amount\n W(7)= ZERO ! Adjust K amount\n W(8)= ZERO ! Adjust Mg amount\n CALL PUSHERR (0051, 'ISRP4F') ! Warning error: Ca, Na, K, Mg in excess\nC\n ELSE IF (W(1).GT.REST1) THEN ! Na > 2*FRSO4+FRCL+FRNO3 ?\n W(1) = (ONE-1D-6)*REST1 ! Adjust Na amount\n W(7)= ZERO ! Adjust K amount\n W(8)= ZERO ! Adjust Mg amount\n CALL PUSHERR (0052, 'ISRP4F') ! Warning error: Na, K, Mg in excess\nC\n ELSE IF (W(8).GT.REST2) THEN ! Mg > 2*FRSO4+FRCL+FRNO3 ?\n W(8) = (ONE-1D-6)*REST2 ! Adjust Mg amount\n W(7)= ZERO ! Adjust K amount\n CALL PUSHERR (0053, 'ISRP4F') ! Warning error: K, Mg in excess\nC\n ELSE IF (W(7).GT.REST3) THEN ! K > 2*FRSO4+FRCL+FRNO3 ?\n W(7) = (ONE-1D-6)*REST3 ! Adjust K amount\n CALL PUSHERR (0054, 'ISRP4F') ! Warning error: K in excess\n ENDIF\n ENDIF\nC\nC *** CALCULATE RATIOS *************************************************\nC\n SO4RAT = (W(1)+W(3)+W(6)+W(7)+W(8))/W(2)\n CRNARAT = (W(1)+W(6)+W(7)+W(8))/W(2)\n CRRAT = (W(6)+W(7)+W(8))/W(2)\nC\nC *** FIND CALCULATION REGIME FROM (SO4RAT, CRNARAT, CRRAT, RRH) ********\nC\nC *** SULFATE POOR: Rso4>2; (DUST + SODIUM) POOR: R(Cr+Na)<2\nC\n IF (2.0.LE.SO4RAT .AND. CRNARAT.LT.2.0) THEN\nC\n IF(METSTBL.EQ.1) THEN\n SCASE = 'O7'\n CALL CALCO7 ! Only liquid (metastable)\n ELSE\nC\n IF (RH.LT.DRNH4NO3) THEN\n SCASE = 'O1'\n CALL CALCO1 ! CaSO4, NH4NO3, NH4CL, (NH4)2SO4, MGSO4, NA2SO4, K2SO4\nC\n ELSEIF (DRNH4NO3.LE.RH .AND. RH.LT.DRNH4CL) THEN\n SCASE = 'O2'\n CALL CALCO2 ! CaSO4, NH4CL, (NH4)2SO4, MGSO4, NA2SO4, K2SO4\nC\n ELSEIF (DRNH4CL.LE.RH .AND. RH.LT.DRNH42S4) THEN\n SCASE = 'O3'\n CALL CALCO3 ! CaSO4, (NH4)2SO4, MGSO4, NA2SO4, K2SO4\nC\n ELSEIF (DRNH42S4.LE.RH .AND. RH.LT.DRMGSO4) THEN\n SCASE = 'O4'\n CALL CALCO4 ! CaSO4, MGSO4, NA2SO4, K2SO4\nC\n ELSEIF (DRMGSO4.LE.RH .AND. RH.LT.DRNA2SO4) THEN\n SCASE = 'O5'\n CALL CALCO5 ! CaSO4, NA2SO4, K2SO4\nC\n ELSEIF (DRNA2SO4.LE.RH .AND. RH.LT.DRK2SO4) THEN\n SCASE = 'O6'\n CALL CALCO6 ! CaSO4, K2SO4\nC\n ELSEIF (DRK2SO4.LE.RH) THEN\n SCASE = 'O7'\n CALL CALCO7 ! CaSO4\n ENDIF\n ENDIF\nC\nC *** SULFATE POOR: Rso4>2; (DUST + SODIUM) RICH: R(Cr+Na)>2; DUST POOR: Rcr<2.\nC\n ELSEIF (SO4RAT.GE.2.0 .AND. CRNARAT.GE.2.0) THEN\nC\n IF (CRRAT.LE.2.0) THEN\nC\n IF(METSTBL.EQ.1) THEN\n SCASE = 'M8'\n CALL CALCM8 ! Only liquid (metastable)\n ELSE\nC\n IF (RH.LT.DRNH4NO3) THEN\n SCASE = 'M1'\n CALL CALCM1 ! CaSO4, NH4NO3, NH4CL, MGSO4, NA2SO4, K2SO4, NACL, NANO3\nC\n ELSEIF (DRNH4NO3.LE.RH .AND. RH.LT.DRNANO3) THEN\n SCASE = 'M2'\n CALL CALCM2 ! CaSO4, NH4CL, MGSO4, NA2SO4, K2SO4, NACL, NANO3\nC\n ELSEIF (DRNANO3.LE.RH .AND. RH.LT.DRNACL) THEN\n SCASE = 'M3'\n CALL CALCM3 ! CaSO4, NH4CL, MGSO4, NA2SO4, K2SO4, NACL\nC\n ELSEIF (DRNACL.LE.RH .AND. RH.LT.DRNH4Cl) THEN\n SCASE = 'M4'\n CALL CALCM4 ! CaSO4, NH4CL, MGSO4, NA2SO4, K2SO4\nC\n ELSEIF (DRNH4Cl.LE.RH .AND. RH.LT.DRMGSO4) THEN\n SCASE = 'M5'\n CALL CALCM5 ! CaSO4, MGSO4, NA2SO4, K2SO4\nC\n ELSEIF (DRMGSO4.LE.RH .AND. RH.LT.DRNA2SO4) THEN\n SCASE = 'M6'\n CALL CALCM6 ! CaSO4, NA2SO4, K2SO4\nC\n ELSEIF (DRNA2SO4.LE.RH .AND. RH.LT.DRK2SO4) THEN\n SCASE = 'M7'\n CALL CALCM7 ! CaSO4, K2SO4\nC\n ELSEIF (DRK2SO4.LE.RH) THEN\n SCASE = 'M8'\n CALL CALCM8 ! CaSO4\n ENDIF\n ENDIF\nC CALL CALCHCO3\nC\nC *** SULFATE POOR: Rso4>2; (DUST + SODIUM) RICH: R(Cr+Na)>2; DUST POOR: Rcr<2.\nC\n ELSEIF (CRRAT.GT.2.0) THEN\nC\n IF(METSTBL.EQ.1) THEN\n SCASE = 'P13'\n CALL CALCP13 ! Only liquid (metastable)\n ELSE\nC\n IF (RH.LT.DRCACL2) THEN\n SCASE = 'P1'\n CALL CALCP1 ! CaSO4, CA(NO3)2, CACL2, K2SO4, KNO3, KCL, MGSO4,\nC ! MG(NO3)2, MGCL2, NANO3, NACL, NH4NO3, NH4CL\nC\n ELSEIF (DRCACL2.LE.RH .AND. RH.LT.DRMGCL2) THEN\n SCASE = 'P2'\n CALL CALCP2 ! CaSO4, CA(NO3)2, K2SO4, KNO3, KCL, MGSO4,\nC ! MG(NO3)2, MGCL2, NANO3, NACL, NH4NO3, NH4CL\nC\n ELSEIF (DRMGCL2.LE.RH .AND. RH.LT.DRCANO32) THEN\n SCASE = 'P3'\n CALL CALCP3 ! CaSO4, CA(NO3)2, K2SO4, KNO3, KCL, MGSO4,\nC ! MG(NO3)2, NANO3, NACL, NH4NO3, NH4CL\nC\n ELSEIF (DRCANO32.LE.RH .AND. RH.LT.DRMGNO32) THEN\n SCASE = 'P4'\n CALL CALCP4 ! CaSO4, K2SO4, KNO3, KCL, MGSO4,\nC ! MG(NO3)2, NANO3, NACL, NH4NO3, NH4CL\nC\n ELSEIF (DRMGNO32.LE.RH .AND. RH.LT.DRNH4NO3) THEN\n SCASE = 'P5'\n CALL CALCP5 ! CaSO4, K2SO4, KNO3, KCL, MGSO4,\nC ! NANO3, NACL, NH4NO3, NH4CL\nC\n ELSEIF (DRNH4NO3.LE.RH .AND. RH.LT.DRNANO3) THEN\n SCASE = 'P6'\n CALL CALCP6 ! CaSO4, K2SO4, KNO3, KCL, MGSO4, NANO3, NACL, NH4CL\nC\n ELSEIF (DRNANO3.LE.RH .AND. RH.LT.DRNACL) THEN\n SCASE = 'P7'\n CALL CALCP7 ! CaSO4, K2SO4, KNO3, KCL, MGSO4, NACL, NH4CL\nC\n ELSEIF (DRNACL.LE.RH .AND. RH.LT.DRNH4CL) THEN\n SCASE = 'P8'\n CALL CALCP8 ! CaSO4, K2SO4, KNO3, KCL, MGSO4, NH4CL\nC\n ELSEIF (DRNH4CL.LE.RH .AND. RH.LT.DRKCL) THEN\n SCASE = 'P9'\n CALL CALCP9 ! CaSO4, K2SO4, KNO3, KCL, MGSO4\nC\n ELSEIF (DRKCL.LE.RH .AND. RH.LT.DRMGSO4) THEN\n SCASE = 'P10'\n CALL CALCP10 ! CaSO4, K2SO4, KNO3, MGSO4\nC\n ELSEIF (DRMGSO4.LE.RH .AND. RH.LT.DRKNO3) THEN\n SCASE = 'P11'\n CALL CALCP11 ! CaSO4, K2SO4, KNO3\nC\n ELSEIF (DRKNO3.LE.RH .AND. RH.LT.DRK2SO4) THEN\n SCASE = 'P12'\n CALL CALCP12 ! CaSO4, K2SO4\nC\n ELSEIF (DRK2SO4.LE.RH) THEN\n SCASE = 'P13'\n CALL CALCP13 ! CaSO4\n ENDIF\n ENDIF\nC CALL CALCHCO3\n ENDIF\nC\nC *** SULFATE RICH (NO ACID): 1= 2.0)\nC 2. LIQUID AEROSOL PHASE ONLY POSSIBLE\nC\nC FOR CALCULATIONS, A BISECTION IS PERFORMED TOWARDS X, THE\nC AMOUNT OF HYDROGEN IONS (H+) FOUND IN THE LIQUID PHASE.\nC FOR EACH ESTIMATION OF H+, FUNCTION FUNCB2A CALCULATES THE\nC CONCENTRATION OF IONS FROM THE NH3(GAS) - NH4+(LIQ) EQUILIBRIUM.\nC ELECTRONEUTRALITY IS USED AS THE OBJECTIVE FUNCTION.\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCA2\n INCLUDE 'isrpia.inc'\nC\nC *** SETUP PARAMETERS ************************************************\nC\n CALAOU =.TRUE. ! Outer loop activity calculation flag\n OMELO = TINY ! Low limit: SOLUTION IS VERY BASIC\n OMEHI = 2.0D0*W(2) ! High limit: FROM NH4+ -> NH3(g) + H+(aq)\nC\nC *** CALCULATE WATER CONTENT *****************************************\nC\n MOLAL(5) = W(2)\n MOLAL(6) = ZERO\n CALL CALCMR\nC\nC *** INITIAL VALUES FOR BISECTION ************************************\nC\n X1 = OMEHI\n Y1 = FUNCA2 (X1)\n IF (ABS(Y1).LE.EPS) RETURN\nC\nC *** ROOT TRACKING ; FOR THE RANGE OF HI AND LO **********************\nC\n DX = (OMEHI-OMELO)/FLOAT(NDIV)\n DO 10 I=1,NDIV\n X2 = MAX(X1-DX, OMELO)\n Y2 = FUNCA2 (X2)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y2).LT.ZERO) GOTO 20 ! (Y1*Y2.LT.ZERO)\n X1 = X2\n Y1 = Y2\n10 CONTINUE\n IF (ABS(Y2).LE.EPS) THEN\n RETURN\n ELSE\n CALL PUSHERR (0001, 'CALCA2') ! WARNING ERROR: NO SOLUTION\n RETURN\n ENDIF\nC\nC *** PERFORM BISECTION ***********************************************\nC\n20 DO 30 I=1,MAXIT\n X3 = 0.5*(X1+X2)\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y3 = FUNCA2 (X3)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y3) .LE. ZERO) THEN ! (Y1*Y3 .LE. ZERO)\n Y2 = Y3\n X2 = X3\n ELSE\n Y1 = Y3\n X1 = X3\n ENDIF\n IF (ABS(X2-X1) .LE. EPS*X1) GOTO 40\n30 CONTINUE\n CALL PUSHERR (0002, 'CALCA2') ! WARNING ERROR: NO CONVERGENCE\nC\nC *** CONVERGED ; RETURN **********************************************\nC\n40 X3 = 0.5*(X1+X2)\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y3 = FUNCA2 (X3)\n RETURN\nC\nC *** END OF SUBROUTINE CALCA2 ****************************************\nC\n END\n\n\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** FUNCTION FUNCA2\nC *** CASE A2 \nC FUNCTION THAT SOLVES THE SYSTEM OF EQUATIONS FOR CASE A2 ; \nC AND RETURNS THE VALUE OF THE ZEROED FUNCTION IN FUNCA2.\nC\nC=======================================================================\nC\n DOUBLE PRECISION FUNCTION FUNCA2 (OMEGI)\n INCLUDE 'isrpia.inc'\n DOUBLE PRECISION LAMDA\nC\nC *** SETUP PARAMETERS ************************************************\nC\n FRST = .TRUE.\n CALAIN = .TRUE.\n PSI = W(2) ! INITIAL AMOUNT OF (NH4)2SO4 IN SOLUTION\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\n A1 = XK1*WATER/GAMA(7)*(GAMA(8)/GAMA(7))**2.\n A2 = XK2*R*TEMP/XKW*(GAMA(8)/GAMA(9))**2.\n A3 = XKW*RH*WATER*WATER\nC\n LAMDA = PSI/(A1/OMEGI+ONE)\n ZETA = A3/OMEGI\nC\nC *** SPECIATION & WATER CONTENT ***************************************\nC\n MOLAL (1) = OMEGI ! HI\n MOLAL (5) = MAX(PSI-LAMDA,TINY) ! SO4I\n MOLAL (3) = MAX(W(3)/(ONE/A2/OMEGI + ONE), 2.*MOLAL(5)) ! NH4I\n MOLAL (6) = LAMDA ! HSO4I\n GNH3 = MAX (W(3)-MOLAL(3), TINY) ! NH3GI\n COH = ZETA ! OHI\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT \n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nC\nC *** CALCULATE OBJECTIVE FUNCTION ************************************\nC\n20 DENOM = (2.0*MOLAL(5)+MOLAL(6))\n FUNCA2= (MOLAL(3)/DENOM - ONE) + MOLAL(1)/DENOM\n RETURN\nC\nC *** END OF FUNCTION FUNCA2 ********************************************\nC\n END\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCA1\nC *** CASE A1 \nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0)\nC 2. SOLID AEROSOL ONLY\nC 3. SOLIDS POSSIBLE : (NH4)2SO4\nC\nC A SIMPLE MATERIAL BALANCE IS PERFORMED, AND THE SOLID (NH4)2SO4\nC IS CALCULATED FROM THE SULFATES. THE EXCESS AMMONIA REMAINS IN\nC THE GAS PHASE.\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCA1\n INCLUDE 'isrpia.inc'\nC\n CNH42S4 = W(2)\n GNH3 = MAX (W(3)-2.0*CNH42S4, ZERO)\n RETURN\nC\nC *** END OF SUBROUTINE CALCA1 ******************************************\nC\n END\n\n\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCB4\nC *** CASE B4 \nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE RICH, NO FREE ACID (1.0 <= SULRAT < 2.0)\nC 2. LIQUID AEROSOL PHASE ONLY POSSIBLE\nC\nC FOR CALCULATIONS, A BISECTION IS PERFORMED WITH RESPECT TO H+.\nC THE OBJECTIVE FUNCTION IS THE DIFFERENCE BETWEEN THE ESTIMATED H+\nC AND THAT CALCULATED FROM ELECTRONEUTRALITY.\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCB4\n INCLUDE 'isrpia.inc'\nC\nC *** SOLVE EQUATIONS **************************************************\nC\n FRST = .TRUE.\n CALAIN = .TRUE.\n CALAOU = .TRUE.\nC\nC *** CALCULATE WATER CONTENT ******************************************\nC\n CALL CALCB1A ! GET DRY SALT CONTENT, AND USE FOR WATER.\n MOLALR(13) = CLC \n MOLALR(9) = CNH4HS4 \n MOLALR(4) = CNH42S4 \n CLC = ZERO\n CNH4HS4 = ZERO\n CNH42S4 = ZERO\n WATER = MOLALR(13)/M0(13)+MOLALR(9)/M0(9)+MOLALR(4)/M0(4)\nC\n MOLAL(3) = W(3) ! NH4I\nC\n DO 20 I=1,NSWEEP\n AK1 = XK1*((GAMA(8)/GAMA(7))**2.)*(WATER/GAMA(7))\n BET = W(2)\n GAM = MOLAL(3)\nC\n BB = BET + AK1 - GAM\n CC =-AK1*BET\n DD = BB*BB - 4.D0*CC\nC\nC *** SPECIATION & WATER CONTENT ***************************************\nC\n MOLAL (5) = MAX(TINY,MIN(0.5*(-BB + SQRT(DD)), W(2))) ! SO4I\n MOLAL (6) = MAX(TINY,MIN(W(2)-MOLAL(5),W(2))) ! HSO4I\n MOLAL (1) = MAX(TINY,MIN(AK1*MOLAL(6)/MOLAL(5),W(2))) ! HI\n CALL CALCMR ! Water content\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (.NOT.CALAIN) GOTO 30\n CALL CALCACT\n20 CONTINUE\nC\n30 RETURN\nC\nC *** END OF SUBROUTINE CALCB4 ******************************************\nC\n END\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCB3\nC *** CASE B3 \nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE RICH, NO FREE ACID (1.0 <= SULRAT < 2.0)\nC 2. BOTH LIQUID & SOLID PHASE IS POSSIBLE\nC 3. SOLIDS POSSIBLE: (NH4)2SO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCB3\n INCLUDE 'isrpia.inc'\nC \nC *** CALCULATE EQUIVALENT AMOUNT OF HSO4 AND SO4 ***********************\nC\n X = MAX(2*W(2)-W(3), ZERO) ! Equivalent NH4HSO4\n Y = MAX(W(3) -W(2), ZERO) ! Equivalent NH42SO4\nC\nC *** CALCULATE SPECIES ACCORDING TO RELATIVE ABUNDANCE OF HSO4 *********\nC\n IF (X.LT.Y) THEN ! LC is the MIN (x,y)\n SCASE = 'B3 ; SUBCASE 1'\n TLC = X\n TNH42S4 = Y-X\n CALL CALCB3A (TLC,TNH42S4) ! LC + (NH4)2SO4 \n ELSE\n SCASE = 'B3 ; SUBCASE 2'\n TLC = Y\n TNH4HS4 = X-Y\n CALL CALCB3B (TLC,TNH4HS4) ! LC + NH4HSO4\n ENDIF\nC \n RETURN\nC\nC *** END OF SUBROUTINE CALCB3 ******************************************\nC\n END\n\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCB3A\nC *** CASE B3 ; SUBCASE 1\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE RICH (1.0 < SULRAT < 2.0)\nC 2. BOTH LIQUID & SOLID PHASE IS POSSIBLE\nC 3. SOLIDS POSSIBLE: (NH4)2SO4\nC\nC FOR CALCULATIONS, A BISECTION IS PERFORMED TOWARDS ZETA, THE\nC AMOUNT OF SOLID (NH4)2SO4 DISSOLVED IN THE LIQUID PHASE.\nC FOR EACH ESTIMATION OF ZETA, FUNCTION FUNCB3A CALCULATES THE\nC AMOUNT OF H+ PRODUCED (BASED ON THE SO4 RELEASED INTO THE\nC SOLUTION). THE SOLUBILITY PRODUCT OF (NH4)2SO4 IS USED AS THE \nC OBJECTIVE FUNCTION.\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCB3A (TLC, TNH42S4)\n INCLUDE 'isrpia.inc'\nC\n CALAOU = .TRUE. ! Outer loop activity calculation flag\n ZLO = ZERO ! MIN DISSOLVED (NH4)2SO4\n ZHI = TNH42S4 ! MAX DISSOLVED (NH4)2SO4\nC\nC *** INITIAL VALUES FOR BISECTION (DISSOLVED (NH4)2SO4) ***************\nC\n Z1 = ZLO\n Y1 = FUNCB3A (Z1, TLC, TNH42S4)\n IF (ABS(Y1).LE.EPS) RETURN\n YLO= Y1\nC\nC *** ROOT TRACKING ; FOR THE RANGE OF HI AND LO ***********************\nC\n DZ = (ZHI-ZLO)/FLOAT(NDIV)\n DO 10 I=1,NDIV\n Z2 = Z1+DZ\n Y2 = FUNCB3A (Z2, TLC, TNH42S4)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y2).LT.ZERO) GOTO 20 ! (Y1*Y2.LT.ZERO)\n Z1 = Z2\n Y1 = Y2\n10 CONTINUE\nC\nC *** NO SUBDIVISION WITH SOLUTION FOUND \nC\n YHI= Y1 ! Save Y-value at HI position\n IF (ABS(Y2) .LT. EPS) THEN ! X2 IS A SOLUTION \n RETURN\nC\nC *** { YLO, YHI } < 0.0 THE SOLUTION IS ALWAYS UNDERSATURATED WITH LC\nC\n ELSE IF (YLO.LT.ZERO .AND. YHI.LT.ZERO) THEN\n Z1 = ZHI\n Z2 = ZHI\n GOTO 40\nC\nC *** { YLO, YHI } > 0.0 THE SOLUTION IS ALWAYS SUPERSATURATED WITH LC\nC\n ELSE IF (YLO.GT.ZERO .AND. YHI.GT.ZERO) THEN\n Z1 = ZLO\n Z2 = ZLO\n GOTO 40\n ELSE\n CALL PUSHERR (0001, 'CALCB3A') ! WARNING ERROR: NO SOLUTION\n RETURN\n ENDIF\nC\nC *** PERFORM BISECTION ***********************************************\nC\n20 DO 30 I=1,MAXIT\n Z3 = 0.5*(Z1+Z2)\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y3 = FUNCB3A (Z3, TLC, TNH42S4)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y3) .LE. ZERO) THEN ! (Y1*Y3 .LE. ZERO)\n Y2 = Y3\n Z2 = Z3\n ELSE\n Y1 = Y3\n Z1 = Z3\n ENDIF\n IF (ABS(Z2-Z1) .LE. EPS*Z1) GOTO 40\n30 CONTINUE\n CALL PUSHERR (0002, 'CALCB3A') ! WARNING ERROR: NO CONVERGENCE\nC\nC *** CONVERGED ; RETURN ************************************************\nC\n40 ZK = 0.5*(Z1+Z2)\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y3 = FUNCB3A (ZK, TLC, TNH42S4)\nC \n RETURN\nC\nC *** END OF SUBROUTINE CALCB3A ******************************************\nC\n END\n\n\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** FUNCTION FUNCB3A\nC *** CASE B3 ; SUBCASE 1\nC FUNCTION THAT SOLVES THE SYSTEM OF EQUATIONS FOR CASE B3\nC AND RETURNS THE VALUE OF THE ZEROED FUNCTION IN FUNCA3.\nC\nC=======================================================================\nC\n DOUBLE PRECISION FUNCTION FUNCB3A (ZK, Y, X)\n INCLUDE 'isrpia.inc'\n DOUBLE PRECISION KK\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n FRST = .TRUE.\n CALAIN = .TRUE.\n DO 20 I=1,NSWEEP\n GRAT1 = XK1*WATER/GAMA(7)*(GAMA(8)/GAMA(7))**2.\n DD = SQRT( (ZK+GRAT1+Y)**2. + 4.0*Y*GRAT1)\n KK = 0.5*(-(ZK+GRAT1+Y) + DD )\nC\nC *** SPECIATION & WATER CONTENT ***************************************\nC\n MOLAL (1) = KK ! HI\n MOLAL (5) = KK+ZK+Y ! SO4I\n MOLAL (6) = MAX (Y-KK, TINY) ! HSO4I\n MOLAL (3) = 3.0*Y+2*ZK ! NH4I\n CNH42S4 = X-ZK ! Solid (NH4)2SO4\n CALL CALCMR ! Water content\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT \n ELSE\n GOTO 30\n ENDIF\n20 CONTINUE\nC\nC *** CALCULATE OBJECTIVE FUNCTION ************************************\nC\nCCC30 FUNCB3A= ( SO4I*NH4I**2.0 )/( XK7*(WATER/GAMA(4))**3.0 )\n30 FUNCB3A= MOLAL(5)*MOLAL(3)**2.0\n FUNCB3A= FUNCB3A/(XK7*(WATER/GAMA(4))**3.0) - ONE\n RETURN\nC\nC *** END OF FUNCTION FUNCB3A ********************************************\nC\n END\n\n\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCB3B\nC *** CASE B3 ; SUBCASE 2\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE RICH (1.0 < SULRAT < 2.0)\nC 2. LIQUID PHASE ONLY IS POSSIBLE\nC\nC SPECIATION CALCULATIONS IS BASED ON THE HSO4 <--> SO4 EQUILIBRIUM. \nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCB3B (Y, X)\n INCLUDE 'isrpia.inc'\n DOUBLE PRECISION KK\nC\n CALAOU = .FALSE. ! Outer loop activity calculation flag\n FRST = .FALSE.\n CALAIN = .TRUE.\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 20 I=1,NSWEEP\n GRAT1 = XK1*WATER/GAMA(7)*(GAMA(8)/GAMA(7))**2.\n DD = SQRT( (GRAT1+Y)**2. + 4.0*(X+Y)*GRAT1)\n KK = 0.5*(-(GRAT1+Y) + DD )\nC\nC *** SPECIATION & WATER CONTENT ***************************************\nC\n MOLAL (1) = KK ! HI\n MOLAL (5) = Y+KK ! SO4I\n MOLAL (6) = MAX (X+Y-KK, TINY) ! HSO4I\n MOLAL (3) = 3.0*Y+X ! NH4I\n CALL CALCMR ! Water content\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (.NOT.CALAIN) GOTO 30\n CALL CALCACT \n20 CONTINUE\nC \n30 RETURN\nC\nC *** END OF SUBROUTINE CALCB3B ******************************************\nC\n END\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCB2\nC *** CASE B2 \nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE RICH, NO FREE ACID (1.0 <= SULRAT < 2.0)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : LC, (NH4)2SO4\nC\nC THERE ARE TWO POSSIBLE REGIMES HERE, DEPENDING ON THE SULFATE RATIO:\nC 1. WHEN BOTH LC AND (NH4)2SO4 ARE POSSIBLE (SUBROUTINE CALCB2A)\nC 2. WHEN ONLY LC IS POSSIBLE (SUBROUTINE CALCB2B).\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCB2\n INCLUDE 'isrpia.inc'\nC \nC *** CALCULATE EQUIVALENT AMOUNT OF HSO4 AND SO4 ***********************\nC\n X = MAX(2*W(2)-W(3), TINY) ! Equivalent NH4HSO4\n Y = MAX(W(3) -W(2), TINY) ! Equivalent NH42SO4\nC\nC *** CALCULATE SPECIES ACCORDING TO RELATIVE ABUNDANCE OF HSO4 *********\nC\n IF (X.LE.Y) THEN ! LC is the MIN (x,y)\n SCASE = 'B2 ; SUBCASE 1'\n CALL CALCB2A (X,Y-X) ! LC + (NH4)2SO4 POSSIBLE\n ELSE\n SCASE = 'B2 ; SUBCASE 2'\n CALL CALCB2B (Y,X-Y) ! LC ONLY POSSIBLE\n ENDIF\nC \n RETURN\nC\nC *** END OF SUBROUTINE CALCB2 ******************************************\nC\n END\n\n\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCB2\nC *** CASE B2 ; SUBCASE A. \nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE RICH (1.0 < SULRAT < 2.0)\nC 2. SOLID PHASE ONLY POSSIBLE\nC 3. SOLIDS POSSIBLE: LC, (NH4)2SO4\nC\nC THERE ARE TWO POSSIBLE REGIMES HERE, DEPENDING ON RELATIVE HUMIDITY:\nC 1. WHEN RH >= MDRH ; LIQUID PHASE POSSIBLE (MDRH REGION)\nC 2. WHEN RH < MDRH ; ONLY SOLID PHASE POSSIBLE \nC\nC FOR SOLID CALCULATIONS, A MATERIAL BALANCE BASED ON THE STOICHIMETRIC\nC PROPORTION OF AMMONIUM AND SULFATE IS DONE TO CALCULATE THE AMOUNT \nC OF LC AND (NH4)2SO4 IN THE SOLID PHASE.\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCB2A (TLC, TNH42S4)\n INCLUDE 'isrpia.inc'\nC\nC *** REGIME DEPENDS UPON THE AMBIENT RELATIVE HUMIDITY *****************\nC\n IF (RH.LT.DRMLCAS) THEN \n SCASE = 'B2 ; SUBCASE A1' ! SOLIDS POSSIBLE ONLY\n CLC = TLC\n CNH42S4 = TNH42S4\n SCASE = 'B2 ; SUBCASE A1'\n ELSE\n SCASE = 'B2 ; SUBCASE A2'\n CALL CALCB2A2 (TLC, TNH42S4) ! LIQUID & SOLID PHASE POSSIBLE\n SCASE = 'B2 ; SUBCASE A2'\n ENDIF\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCB2A *****************************************\nC\n END\n\n\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCB2A2\nC *** CASE B2 ; SUBCASE A2. \nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE RICH (1.0 < SULRAT < 2.0)\nC 2. SOLID PHASE ONLY POSSIBLE\nC 3. SOLIDS POSSIBLE: LC, (NH4)2SO4\nC\nC THIS IS THE CASE WHERE THE RELATIVE HUMIDITY IS IN THE MUTUAL\nC DRH REGION. THE SOLUTION IS ASSUMED TO BE THE SUM OF TWO WEIGHTED\nC SOLUTIONS ; THE SOLID PHASE ONLY (SUBROUTINE CALCB2A1) AND THE\nC THE SOLID WITH LIQUID PHASE (SUBROUTINE CALCB3).\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCB2A2 (TLC, TNH42S4)\n INCLUDE 'isrpia.inc'\nC\nC *** FIND WEIGHT FACTOR **********************************************\nC\n IF (WFTYP.EQ.0) THEN\n WF = ZERO\n ELSEIF (WFTYP.EQ.1) THEN\n WF = 0.5D0\n ELSE\n WF = (DRLC-RH)/(DRLC-DRMLCAS)\n ENDIF\n ONEMWF = ONE - WF\nC\nC *** FIND FIRST SECTION ; DRY ONE ************************************\nC\n CLCO = TLC ! FIRST (DRY) SOLUTION\n CNH42SO = TNH42S4\nC\nC *** FIND SECOND SECTION ; DRY & LIQUID ******************************\nC\n CLC = ZERO\n CNH42S4 = ZERO\n CALL CALCB3 ! SECOND (LIQUID) SOLUTION\nC\nC *** FIND SOLUTION AT MDRH BY WEIGHTING DRY & LIQUID SOLUTIONS.\nC\n MOLAL(1)= ONEMWF*MOLAL(1) ! H+\n MOLAL(3)= ONEMWF*(2.D0*(CNH42SO-CNH42S4) + 3.D0*(CLCO-CLC)) ! NH4+\n MOLAL(5)= ONEMWF*(CNH42SO-CNH42S4 + CLCO-CLC) ! SO4--\n MOLAL(6)= ONEMWF*(CLCO-CLC) ! HSO4-\nC\n WATER = ONEMWF*WATER\nC\n CLC = WF*CLCO + ONEMWF*CLC\n CNH42S4 = WF*CNH42SO + ONEMWF*CNH42S4\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCB2A2 ****************************************\nC\n END\n\n\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCB2\nC *** CASE B2 ; SUBCASE B \nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE RICH (1.0 < SULRAT < 2.0)\nC 2. BOTH LIQUID & SOLID PHASE IS POSSIBLE\nC 3. SOLIDS POSSIBLE: LC\nC\nC FOR CALCULATIONS, A BISECTION IS PERFORMED TOWARDS ZETA, THE\nC AMOUNT OF SOLID LC DISSOLVED IN THE LIQUID PHASE.\nC FOR EACH ESTIMATION OF ZETA, FUNCTION FUNCB2A CALCULATES THE\nC AMOUNT OF H+ PRODUCED (BASED ON THE HSO4, SO4 RELEASED INTO THE\nC SOLUTION). THE SOLUBILITY PRODUCT OF LC IS USED AS THE OBJECTIVE \nC FUNCTION.\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCB2B (TLC,TNH4HS4)\n INCLUDE 'isrpia.inc'\nC\n CALAOU = .TRUE. ! Outer loop activity calculation flag\n ZLO = ZERO\n ZHI = TLC ! High limit: all of it in liquid phase\nC\nC *** INITIAL VALUES FOR BISECTION **************************************\nC\n X1 = ZHI\n Y1 = FUNCB2B (X1,TNH4HS4,TLC)\n IF (ABS(Y1).LE.EPS) RETURN\n YHI= Y1 ! Save Y-value at Hi position\nC\nC *** ROOT TRACKING ; FOR THE RANGE OF HI AND LO ************************\nC\n DX = (ZHI-ZLO)/NDIV\n DO 10 I=1,NDIV\n X2 = X1-DX\n Y2 = FUNCB2B (X2,TNH4HS4,TLC)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y2).LT.ZERO) GOTO 20 ! (Y1*Y2.LT.ZERO)\n X1 = X2\n Y1 = Y2\n10 CONTINUE\nC\nC *** NO SUBDIVISION WITH SOLUTION FOUND \nC\n YLO= Y1 ! Save Y-value at LO position\n IF (ABS(Y2) .LT. EPS) THEN ! X2 IS A SOLUTION \n RETURN\nC\nC *** { YLO, YHI } < 0.0 THE SOLUTION IS ALWAYS UNDERSATURATED WITH LC\nC\n ELSE IF (YLO.LT.ZERO .AND. YHI.LT.ZERO) THEN\n X1 = ZHI\n X2 = ZHI\n GOTO 40\nC\nC *** { YLO, YHI } > 0.0 THE SOLUTION IS ALWAYS SUPERSATURATED WITH LC\nC\n ELSE IF (YLO.GT.ZERO .AND. YHI.GT.ZERO) THEN\n X1 = ZLO\n X2 = ZLO\n GOTO 40\n ELSE\n CALL PUSHERR (0001, 'CALCB2B') ! WARNING ERROR: NO SOLUTION\n RETURN\n ENDIF\nC\nC *** PERFORM BISECTION *************************************************\nC\n20 DO 30 I=1,MAXIT\n X3 = 0.5*(X1+X2)\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y3 = FUNCB2B (X3,TNH4HS4,TLC)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y3) .LE. ZERO) THEN ! (Y1*Y3 .LE. ZERO)\n Y2 = Y3\n X2 = X3\n ELSE\n Y1 = Y3\n X1 = X3\n ENDIF\n IF (ABS(X2-X1) .LE. EPS*X1) GOTO 40\n30 CONTINUE\n CALL PUSHERR (0002, 'CALCB2B') ! WARNING ERROR: NO CONVERGENCE\nC\nC *** CONVERGED ; RETURN ************************************************\nC\n40 X3 = 0.5*(X1+X2)\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y3 = FUNCB2B (X3,TNH4HS4,TLC)\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCB2B *****************************************\nC\n END\n\n\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** FUNCTION FUNCB2B\nC *** CASE B2 ; \nC FUNCTION THAT SOLVES THE SYSTEM OF EQUATIONS FOR CASE B2 ; SUBCASE 2\nC AND RETURNS THE VALUE OF THE ZEROED FUNCTION IN FUNCB2B.\nC\nC=======================================================================\nC\n DOUBLE PRECISION FUNCTION FUNCB2B (X,TNH4HS4,TLC)\n INCLUDE 'isrpia.inc'\nC\nC *** SOLVE EQUATIONS **************************************************\nC\n FRST = .TRUE.\n CALAIN = .TRUE.\n DO 20 I=1,NSWEEP\n GRAT2 = XK1*WATER*(GAMA(8)/GAMA(7))**2./GAMA(7)\n PARM = X+GRAT2\n DELTA = PARM*PARM + 4.0*(X+TNH4HS4)*GRAT2 ! Diakrinousa\n OMEGA = 0.5*(-PARM + SQRT(DELTA)) ! Thetiki riza (ie:H+>0)\nC\nC *** SPECIATION & WATER CONTENT ***************************************\nC\n MOLAL (1) = OMEGA ! HI\n MOLAL (3) = 3.0*X+TNH4HS4 ! NH4I\n MOLAL (5) = X+OMEGA ! SO4I\n MOLAL (6) = MAX (X+TNH4HS4-OMEGA, TINY) ! HSO4I\n CLC = MAX(TLC-X,ZERO) ! Solid LC\n CALL CALCMR ! Water content\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP ******************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT \n ELSE\n GOTO 30\n ENDIF\n20 CONTINUE\nC\nC *** CALCULATE OBJECTIVE FUNCTION **************************************\nC\nCCC30 FUNCB2B= ( NH4I**3.*SO4I*HSO4I )/( XK13*(WATER/GAMA(13))**5. )\n30 FUNCB2B= (MOLAL(3)**3.)*MOLAL(5)*MOLAL(6)\n FUNCB2B= FUNCB2B/(XK13*(WATER/GAMA(13))**5.) - ONE\n RETURN\nC\nC *** END OF FUNCTION FUNCB2B *******************************************\nC\n END\n\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCB1\nC *** CASE B1\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE RICH, NO FREE ACID (1.0 <= SULRAT < 2.0)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : LC, (NH4)2SO4, NH4HSO4\nC\nC THERE ARE TWO POSSIBLE REGIMES HERE, DEPENDING ON RELATIVE HUMIDITY:\nC 1. WHEN RH >= MDRH ; LIQUID PHASE POSSIBLE (MDRH REGION)\nC 2. WHEN RH < MDRH ; ONLY SOLID PHASE POSSIBLE (SUBROUTINE CALCB1A)\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCB1\n INCLUDE 'isrpia.inc'\nC\nC *** REGIME DEPENDS UPON THE AMBIENT RELATIVE HUMIDITY *****************\nC\n IF (RH.LT.DRMLCAB) THEN \n SCASE = 'B1 ; SUBCASE 1' \n CALL CALCB1A ! SOLID PHASE ONLY POSSIBLE\n SCASE = 'B1 ; SUBCASE 1'\n ELSE\n SCASE = 'B1 ; SUBCASE 2'\n CALL CALCB1B ! LIQUID & SOLID PHASE POSSIBLE\n SCASE = 'B1 ; SUBCASE 2'\n ENDIF\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCB1 ******************************************\nC\n END\n\n\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCB1A\nC *** CASE B1 ; SUBCASE 1\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE RICH\nC 2. THERE IS NO LIQUID PHASE\nC 3. SOLIDS POSSIBLE: LC, { (NH4)2SO4 XOR NH4HSO4 } (ONE OF TWO\nC BUT NOT BOTH)\nC\nC A SIMPLE MATERIAL BALANCE IS PERFORMED, AND THE AMOUNT OF LC\nC IS CALCULATED FROM THE (NH4)2SO4 AND NH4HSO4 WHICH IS LEAST\nC ABUNDANT (STOICHIMETRICALLY). THE REMAINING EXCESS OF SALT \nC IS MIXED WITH THE LC. \nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCB1A\n INCLUDE 'isrpia.inc'\nC\nC *** SETUP PARAMETERS ************************************************\nC\n X = 2*W(2)-W(3) ! Equivalent NH4HSO4\n Y = W(3)-W(2) ! Equivalent (NH4)2SO4\nC\nC *** CALCULATE COMPOSITION *******************************************\nC\n IF (X.LE.Y) THEN ! LC is the MIN (x,y)\n CLC = X ! NH4HSO4 >= (NH4)2S04\n CNH4HS4 = ZERO\n CNH42S4 = Y-X\n ELSE\n CLC = Y ! NH4HSO4 < (NH4)2S04\n CNH4HS4 = X-Y\n CNH42S4 = ZERO\n ENDIF\n RETURN\nC\nC *** END OF SUBROUTINE CALCB1 ******************************************\nC\n END\n\n\n\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCB1B\nC *** CASE B1 ; SUBCASE 2\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE RICH\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE: LC, { (NH4)2SO4 XOR NH4HSO4 } (ONE OF TWO\nC BUT NOT BOTH)\nC\nC THIS IS THE CASE WHERE THE RELATIVE HUMIDITY IS IN THE MUTUAL\nC DRH REGION. THE SOLUTION IS ASSUMED TO BE THE SUM OF TWO WEIGHTED\nC SOLUTIONS ; THE SOLID PHASE ONLY (SUBROUTINE CALCB1A) AND THE\nC THE SOLID WITH LIQUID PHASE (SUBROUTINE CALCB2).\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCB1B\n INCLUDE 'isrpia.inc'\nC\nC *** FIND WEIGHT FACTOR **********************************************\nC\n IF (WFTYP.EQ.0) THEN\n WF = ZERO\n ELSEIF (WFTYP.EQ.1) THEN\n WF = 0.5D0\n ELSE\n WF = (DRNH4HS4-RH)/(DRNH4HS4-DRMLCAB)\n ENDIF\n ONEMWF = ONE - WF\nC\nC *** FIND FIRST SECTION ; DRY ONE ************************************\nC\n CALL CALCB1A\n CLCO = CLC ! FIRST (DRY) SOLUTION\n CNH42SO = CNH42S4\n CNH4HSO = CNH4HS4\nC\nC *** FIND SECOND SECTION ; DRY & LIQUID ******************************\nC\n CLC = ZERO\n CNH42S4 = ZERO\n CNH4HS4 = ZERO\n CALL CALCB2 ! SECOND (LIQUID) SOLUTION\nC\nC *** FIND SOLUTION AT MDRH BY WEIGHTING DRY & LIQUID SOLUTIONS.\nC\n MOLAL(1)= ONEMWF*MOLAL(1) ! H+\n MOLAL(3)= ONEMWF*(2.D0*(CNH42SO-CNH42S4) + (CNH4HSO-CNH4HS4) \n & + 3.D0*(CLCO-CLC)) ! NH4+\n MOLAL(5)= ONEMWF*(CNH42SO-CNH42S4 + CLCO-CLC) ! SO4--\n MOLAL(6)= ONEMWF*(CNH4HSO-CNH4HS4 + CLCO-CLC) ! HSO4-\nC\n WATER = ONEMWF*WATER\nC\n CLC = WF*CLCO + ONEMWF*CLC\n CNH42S4 = WF*CNH42SO + ONEMWF*CNH42S4\n CNH4HS4 = WF*CNH4HSO + ONEMWF*CNH4HS4\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCB1B *****************************************\nC\n END\n\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCC2\nC *** CASE C2 \nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE RICH, FREE ACID (SULRAT < 1.0)\nC 2. THERE IS ONLY A LIQUID PHASE\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCC2\n INCLUDE 'isrpia.inc'\n DOUBLE PRECISION LAMDA, KAPA\nC\n CALAOU =.TRUE. ! Outer loop activity calculation flag\n FRST =.TRUE.\n CALAIN =.TRUE.\nC\nC *** SOLVE EQUATIONS **************************************************\nC\n LAMDA = W(3) ! NH4HSO4 INITIALLY IN SOLUTION\n PSI = W(2)-W(3) ! H2SO4 IN SOLUTION\n DO 20 I=1,NSWEEP\n PARM = WATER*XK1/GAMA(7)*(GAMA(8)/GAMA(7))**2.\n BB = PSI+PARM\n CC =-PARM*(LAMDA+PSI)\n KAPA = 0.5*(-BB+SQRT(BB*BB-4.0*CC))\nC\nC *** SPECIATION & WATER CONTENT ***************************************\nC\n MOLAL(1) = PSI+KAPA ! HI\n MOLAL(3) = LAMDA ! NH4I\n MOLAL(5) = KAPA ! SO4I\n MOLAL(6) = MAX(LAMDA+PSI-KAPA, TINY) ! HSO4I\n CH2SO4 = MAX(MOLAL(5)+MOLAL(6)-MOLAL(3), ZERO) ! Free H2SO4\n CALL CALCMR ! Water content\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (.NOT.CALAIN) GOTO 30\n CALL CALCACT \n20 CONTINUE\nC \n30 RETURN\nC \nC *** END OF SUBROUTINE CALCC2 *****************************************\nC\n END\n\n\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCC1\nC *** CASE C1 \nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE RICH, FREE ACID (SULRAT < 1.0)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE: NH4HSO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCC1\n INCLUDE 'isrpia.inc'\n DOUBLE PRECISION KLO, KHI\nC\n CALAOU = .TRUE. ! Outer loop activity calculation flag\n KLO = TINY \n KHI = W(3)\nC\nC *** INITIAL VALUES FOR BISECTION *************************************\nC\n X1 = KLO\n Y1 = FUNCC1 (X1)\n IF (ABS(Y1).LE.EPS) GOTO 50\n YLO= Y1\nC\nC *** ROOT TRACKING ; FOR THE RANGE OF HI AND LO ***********************\nC\n DX = (KHI-KLO)/FLOAT(NDIV)\n DO 10 I=1,NDIV\n X2 = X1+DX\n Y2 = FUNCC1 (X2)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y2) .LT. ZERO) GOTO 20 ! (Y1*Y2 .LT. ZERO)\n X1 = X2\n Y1 = Y2\n10 CONTINUE\nC\nC *** NO SUBDIVISION WITH SOLUTION FOUND \nC\n YHI= Y2 ! Save Y-value at HI position\n IF (ABS(Y2) .LT. EPS) THEN ! X2 IS A SOLUTION \n GOTO 50\nC\nC *** { YLO, YHI } < 0.0 SOLUTION IS ALWAYS UNDERSATURATED WITH NH4HS04\nC\n ELSE IF (YLO.LT.ZERO .AND. YHI.LT.ZERO) THEN\n GOTO 50\nC\nC *** { YLO, YHI } > 0.0 SOLUTION IS ALWAYS SUPERSATURATED WITH NH4HS04\nC\n ELSE IF (YLO.GT.ZERO .AND. YHI.GT.ZERO) THEN\n X1 = KLO\n X2 = KLO\n GOTO 40\n ELSE\n CALL PUSHERR (0001, 'CALCC1') ! WARNING ERROR: NO SOLUTION\n GOTO 50\n ENDIF\nC\nC *** PERFORM BISECTION OF DISSOLVED NH4HSO4 **************************\nC\n20 DO 30 I=1,MAXIT\n X3 = 0.5*(X1+X2)\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y3 = FUNCC1 (X3)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y3) .LE. ZERO) THEN ! (Y1*Y3 .LE. ZERO)\n Y2 = Y3\n X2 = X3\n ELSE\n Y1 = Y3\n X1 = X3\n ENDIF\n IF (ABS(X2-X1) .LE. EPS*X1) GOTO 40\n30 CONTINUE\n CALL PUSHERR (0002, 'CALCC1') ! WARNING ERROR: NO CONVERGENCE\nC\nC *** CONVERGED ; RETURN ***********************************************\nC\n40 X3 = 0.5*(X1+X2)\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y3 = FUNCC1 (X3)\nC\n50 RETURN\nC\nC *** END OF SUBROUTINE CALCC1 *****************************************\nC\n END\n\n\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** FUNCTION FUNCC1\nC *** CASE C1 ; \nC FUNCTION THAT SOLVES THE SYSTEM OF EQUATIONS FOR CASE C1\nC AND RETURNS THE VALUE OF THE ZEROED FUNCTION IN FUNCC1.\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n DOUBLE PRECISION FUNCTION FUNCC1 (KAPA)\n INCLUDE 'isrpia.inc'\n DOUBLE PRECISION KAPA, LAMDA\nC\nC *** SOLVE EQUATIONS **************************************************\nC\n FRST = .TRUE.\n CALAIN = .TRUE.\nC\n PSI = W(2)-W(3)\n DO 20 I=1,NSWEEP\n PAR1 = XK1*WATER/GAMA(7)*(GAMA(8)/GAMA(7))**2.0\n PAR2 = XK12*(WATER/GAMA(9))**2.0\n BB = PSI + PAR1\n CC =-PAR1*(PSI+KAPA)\n LAMDA = 0.5*(-BB+SQRT(BB*BB-4*CC))\nC\nC *** SAVE CONCENTRATIONS IN MOLAL ARRAY *******************************\nC\n MOLAL(1) = PSI+LAMDA ! HI\n MOLAL(3) = KAPA ! NH4I\n MOLAL(5) = LAMDA ! SO4I\n MOLAL(6) = MAX (ZERO, PSI+KAPA-LAMDA) ! HSO4I\n CNH4HS4 = MAX(W(3)-MOLAL(3), ZERO) ! Solid NH4HSO4\n CH2SO4 = MAX(PSI, ZERO) ! Free H2SO4\n CALL CALCMR ! Water content\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT \n ELSE\n GOTO 30\n ENDIF\n20 CONTINUE\nC\nC *** CALCULATE ZERO FUNCTION *******************************************\nC\nCCC30 FUNCC1= (NH4I*HSO4I/PAR2) - ONE\n30 FUNCC1= (MOLAL(3)*MOLAL(6)/PAR2) - ONE\n RETURN\nC\nC *** END OF FUNCTION FUNCC1 ********************************************\nC\n END\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCD3\nC *** CASE D3\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0)\nC 2. THERE IS OLNY A LIQUID PHASE\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCD3\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** FIND DRY COMPOSITION **********************************************\nC\n CALL CALCD1A\nC\nC *** SETUP PARAMETERS ************************************************\nC\n CHI1 = CNH4NO3 ! Save from CALCD1 run\n CHI2 = CNH42S4\n CHI3 = GHNO3\n CHI4 = GNH3\nC\n PSI1 = CNH4NO3 ! ASSIGN INITIAL PSI's\n PSI2 = CHI2\n PSI3 = ZERO \n PSI4 = ZERO \nC\n MOLAL(5) = PSI2 ! Include initial amount in water calc\n MOLAL(6) = ZERO\n MOLAL(3) = PSI1\n MOLAL(7) = PSI1\n CALL CALCMR ! Initial water\nC\n CALAOU = .TRUE. ! Outer loop activity calculation flag\n PSI4LO = TINY ! Low limit\n PSI4HI = CHI4 ! High limit\nC\nC *** INITIAL VALUES FOR BISECTION ************************************\nC\n60 X1 = PSI4LO\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y1 = FUNCD3 (X1)\n IF (ABS(Y1).LE.EPS) RETURN\n YLO= Y1 ! Save Y-value at HI position\nC\nC *** ROOT TRACKING ; FOR THE RANGE OF HI AND LO **********************\nC\n DX = (PSI4HI-PSI4LO)/FLOAT(NDIV)\n DO 10 I=1,NDIV\n X2 = X1+DX\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y2 = FUNCD3 (X2)\n IF (((Y1) .LT. ZERO) .AND. ((Y2) .GT. ZERO)) GOTO 20 ! (Y1*Y2.LT.ZERO) (slc.1.2012)\nC IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y2).LT.ZERO) GOTO 20\n X1 = X2\n Y1 = Y2\n10 CONTINUE\nC\nC *** NO SUBDIVISION WITH SOLUTION FOUND \nC\n YHI= Y1 ! Save Y-value at Hi position\n IF (ABS(Y2) .LT. EPS) THEN ! X2 IS A SOLUTION \n RETURN\nC\nC *** { YLO, YHI } < 0.0 THE SOLUTION IS ALWAYS UNDERSATURATED WITH NH3\nC Physically I dont know when this might happen, but I have put this\nC branch in for completeness. I assume there is no solution; all NO3 goes to the\nC gas phase.\nC\n ELSE IF (YLO.LT.ZERO .AND. YHI.LT.ZERO) THEN\n P4 = TINY ! PSI4LO ! CHI4\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n YY = FUNCD3(P4)\n GOTO 50\nC\nC *** { YLO, YHI } > 0.0 THE SOLUTION IS ALWAYS SUPERSATURATED WITH NH3\nC This happens when Sul.Rat. = 2.0, so some NH4+ from sulfate evaporates\nC and goes to the gas phase ; so I redefine the LO and HI limits of PSI4\nC and proceed again with root tracking.\nC\n ELSE IF (YLO.GT.ZERO .AND. YHI.GT.ZERO) THEN\n PSI4HI = PSI4LO\n PSI4LO = PSI4LO - 0.1*(PSI1+PSI2) ! No solution; some NH3 evaporates\n IF (PSI4LO.LT.-(PSI1+PSI2)) THEN\n CALL PUSHERR (0001, 'CALCD3') ! WARNING ERROR: NO SOLUTION\n RETURN\n ELSE\n MOLAL(5) = PSI2 ! Include sulfate in initial water calculation\n MOLAL(6) = ZERO\n MOLAL(3) = PSI1\n MOLAL(7) = PSI1\n CALL CALCMR ! Initial water\n GOTO 60 ! Redo root tracking\n ENDIF\n ENDIF\nC\nC *** PERFORM BISECTION ***********************************************\nC\n20 DO 30 I=1,MAXIT\n X3 = 0.5*(X1+X2)\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y3 = FUNCD3 (X3)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y3) .LE. ZERO) THEN ! (Y1*Y3 .LE. ZERO)\n Y2 = Y3\n X2 = X3\n ELSE\n Y1 = Y3\n X1 = X3\n ENDIF\n IF (ABS(X2-X1) .LE. EPS*ABS(X1)) GOTO 40\n30 CONTINUE\n CALL PUSHERR (0002, 'CALCD3') ! WARNING ERROR: NO CONVERGENCE\nC\nC *** CONVERGED ; RETURN **********************************************\nC\n40 X3 = 0.5*(X1+X2)\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y3 = FUNCD3 (X3)\nC \nC *** CALCULATE HSO4 SPECIATION AND RETURN *******************************\nC\n50 CONTINUE\nC\nC modified by Wenxian Zhang for DDM sensitivity calculation\n DO I = 1,NIONS\n MOLALD(I) = MOLAL(I)\n ENDDO\n GNH3D = GNH3\n GHNO3D = GHNO3\n GHCLD = GHCL\nC\n IF (MOLAL(1).GT.TINY) THEN\n CALL CALCHS4 (MOLAL(1), MOLAL(5), ZERO, DELTA)\n MOLAL(1) = MOLAL(1) - DELTA ! H+ EFFECT\n MOLAL(5) = MOLAL(5) - DELTA ! SO4 EFFECT\n MOLAL(6) = DELTA ! HSO4 EFFECT\n ENDIF\n RETURN\nC\nC *** END OF SUBROUTINE CALCD3 ******************************************\nC\n END\n\n\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** FUNCTION FUNCD3\nC *** CASE D3 \nC FUNCTION THAT SOLVES THE SYSTEM OF EQUATIONS FOR CASE D3 ; \nC AND RETURNS THE VALUE OF THE ZEROED FUNCTION IN FUNCD3.\nC\nC=======================================================================\nC\n DOUBLE PRECISION FUNCTION FUNCD3 (P4)\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n FRST = .TRUE.\n CALAIN = .TRUE.\n PSI4 = P4\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\n A2 = XK7*(WATER/GAMA(4))**3.0\n A3 = XK4*R*TEMP*(WATER/GAMA(10))**2.0\n A4 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2.0\n A7 = XKW *RH*WATER*WATER\nC\n PSI3 = A3*A4*CHI3*(CHI4-PSI4) - PSI1*(2.D0*PSI2+PSI1+PSI4)\n PSI3 = PSI3/(A3*A4*(CHI4-PSI4) + 2.D0*PSI2+PSI1+PSI4) \n PSI3 = MIN(MAX(PSI3, ZERO), CHI3)\nC\n BB = PSI4 - PSI3\nCCCOLD AHI = 0.5*(-BB + SQRT(BB*BB + 4.d0*A7)) ! This is correct also\nCCC AHI =2.0*A7/(BB+SQRT(BB*BB + 4.d0*A7)) ! Avoid overflow when HI->0\n DENM = BB+SQRT(BB*BB + 4.d0*A7)\n IF (DENM.LE.TINY) THEN ! Avoid overflow when HI->0\n ABB = ABS(BB)\n DENM = (BB+ABB) + 2.0*A7/ABB ! Taylor expansion of SQRT\n ENDIF\n AHI = 2.0*A7/DENM\nC\nC *** SPECIATION & WATER CONTENT ***************************************\nC\n MOLAL (1) = AHI ! HI\n MOLAL (3) = PSI1 + PSI4 + 2.D0*PSI2 ! NH4I\n MOLAL (5) = PSI2 ! SO4I\n MOLAL (6) = ZERO ! HSO4I\n MOLAL (7) = PSI3 + PSI1 ! NO3I\n CNH42S4 = CHI2 - PSI2 ! Solid (NH4)2SO4\n CNH4NO3 = ZERO ! Solid NH4NO3\n GHNO3 = CHI3 - PSI3 ! Gas HNO3\n GNH3 = CHI4 - PSI4 ! Gas NH3\n CALL CALCMR ! Water content\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT \n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nC\nC *** CALCULATE OBJECTIVE FUNCTION ************************************\nC\n20 CONTINUE\nCCC FUNCD3= NH4I/HI/MAX(GNH3,TINY)/A4 - ONE \n FUNCD3= MOLAL(3)/MOLAL(1)/MAX(GNH3,TINY)/A4 - ONE \n RETURN\nC\nC *** END OF FUNCTION FUNCD3 ********************************************\nC\n END\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCD2\nC *** CASE D2\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : (NH4)2SO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCD2\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** FIND DRY COMPOSITION **********************************************\nC\n CALL CALCD1A\nC\nC *** SETUP PARAMETERS ************************************************\nC\n CHI1 = CNH4NO3 ! Save from CALCD1 run\n CHI2 = CNH42S4\n CHI3 = GHNO3\n CHI4 = GNH3\nC\n PSI1 = CNH4NO3 ! ASSIGN INITIAL PSI's\n PSI2 = CNH42S4\n PSI3 = ZERO \n PSI4 = ZERO \nC\n MOLAL(5) = PSI2 ! Include initial amount in water calc\n MOLAL(6) = ZERO\n MOLAL(3) = PSI1\n MOLAL(7) = PSI1\n CALL CALCMR ! Initial water\nC\n CALAOU = .TRUE. ! Outer loop activity calculation flag\n PSI4LO = TINY ! Low limit\n PSI4HI = CHI4 ! High limit\nC\nC *** INITIAL VALUES FOR BISECTION ************************************\nC\n60 X1 = PSI4LO\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y1 = FUNCD2 (X1)\n IF (ABS(Y1).LE.EPS) RETURN\n YLO= Y1 ! Save Y-value at HI position\nC\nC *** ROOT TRACKING ; FOR THE RANGE OF HI AND LO **********************\nC\n DX = (PSI4HI-PSI4LO)/FLOAT(NDIV)\n DO 10 I=1,NDIV\n X2 = X1+DX\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y2 = FUNCD2 (X2)\n IF (((Y1) .LT. ZERO) .AND. ((Y2) .GT. ZERO)) GOTO 20 ! (Y1*Y2.LT.ZERO) slc.1.2012\nC IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y2).LT.ZERO) THEN\nCC\nCC This is done, in case if Y(PSI4LO)>0, but Y(PSI4LO+DX) < 0 (i.e.undersat)\nCC\nC IF (Y1 .LE. Y2) GOTO 20 ! (Y1*Y2.LT.ZERO)\nC ENDIF\n X1 = X2\n Y1 = Y2\n10 CONTINUE\nC\nC *** NO SUBDIVISION WITH SOLUTION FOUND \nC\n YHI= Y1 ! Save Y-value at Hi position\n IF (ABS(Y2) .LT. EPS) THEN ! X2 IS A SOLUTION \n RETURN\nC\nC *** { YLO, YHI } < 0.0 THE SOLUTION IS ALWAYS UNDERSATURATED WITH NH3\nC Physically I dont know when this might happen, but I have put this\nC branch in for completeness. I assume there is no solution; all NO3 goes to the\nC gas phase.\nC\n ELSE IF (YLO.LT.ZERO .AND. YHI.LT.ZERO) THEN\n P4 = TINY ! PSI4LO ! CHI4\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n YY = FUNCD2(P4)\n GOTO 50\nC\nC *** { YLO, YHI } > 0.0 THE SOLUTION IS ALWAYS SUPERSATURATED WITH NH3\nC This happens when Sul.Rat. = 2.0, so some NH4+ from sulfate evaporates\nC and goes to the gas phase ; so I redefine the LO and HI limits of PSI4\nC and proceed again with root tracking.\nC\n ELSE IF (YLO.GT.ZERO .AND. YHI.GT.ZERO) THEN\n PSI4HI = PSI4LO\n PSI4LO = PSI4LO - 0.1*(PSI1+PSI2) ! No solution; some NH3 evaporates\n IF (PSI4LO.LT.-(PSI1+PSI2)) THEN\n CALL PUSHERR (0001, 'CALCD2') ! WARNING ERROR: NO SOLUTION\n RETURN\n ELSE\n MOLAL(5) = PSI2 ! Include initial amount in water calc\n MOLAL(6) = ZERO\n MOLAL(3) = PSI1\n MOLAL(7) = PSI1\n CALL CALCMR ! Initial water\n GOTO 60 ! Redo root tracking\n ENDIF\n ENDIF\nC\nC *** PERFORM BISECTION ***********************************************\nC\n20 DO 30 I=1,MAXIT\n X3 = 0.5*(X1+X2)\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y3 = FUNCD2 (X3)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y3) .LE. ZERO) THEN ! (Y1*Y3 .LE. ZERO)\n Y2 = Y3\n X2 = X3\n ELSE\n Y1 = Y3\n X1 = X3\n ENDIF\n IF (ABS(X2-X1) .LE. EPS*ABS(X1)) GOTO 40\n30 CONTINUE\n CALL PUSHERR (0002, 'CALCD2') ! WARNING ERROR: NO CONVERGENCE\nC\nC *** CONVERGED ; RETURN **********************************************\nC\n40 X3 = MIN(X1,X2) ! 0.5*(X1+X2) ! Get \"low\" side, it's acidic soln.\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y3 = FUNCD2 (X3)\nC \nC *** CALCULATE HSO4 SPECIATION AND RETURN *******************************\nC\n50 CONTINUE\n IF (MOLAL(1).GT.TINY) THEN\n CALL CALCHS4 (MOLAL(1), MOLAL(5), ZERO, DELTA)\n MOLAL(1) = MOLAL(1) - DELTA ! H+ EFFECT\n MOLAL(5) = MOLAL(5) - DELTA ! SO4 EFFECT\n MOLAL(6) = DELTA ! HSO4 EFFECT\n ENDIF\n RETURN\nC\nC *** END OF SUBROUTINE CALCD2 ******************************************\nC\n END\n\n\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** FUNCTION FUNCD2\nC *** CASE D2 \nC FUNCTION THAT SOLVES THE SYSTEM OF EQUATIONS FOR CASE D2 ; \nC AND RETURNS THE VALUE OF THE ZEROED FUNCTION IN FUNCD2.\nC\nC=======================================================================\nC\n DOUBLE PRECISION FUNCTION FUNCD2 (P4)\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n CALL RSTGAM ! Reset activity coefficients to 0.1\n FRST = .TRUE.\n CALAIN = .TRUE.\n PSI4 = P4\n PSI2 = CHI2\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\n A2 = XK7*(WATER/GAMA(4))**3.0\n A3 = XK4*R*TEMP*(WATER/GAMA(10))**2.0\n A4 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2.0\n A7 = XKW *RH*WATER*WATER\nC\n IF (CHI2.GT.TINY .AND. WATER.GT.TINY) THEN\n PSI14 = PSI1+PSI4\n CALL POLY3 (PSI14,0.25*PSI14**2.,-A2/4.D0, PSI2, ISLV) ! PSI2\n IF (ISLV.EQ.0) THEN\n PSI2 = MIN (PSI2, CHI2)\n ELSE\n PSI2 = TINY\n ENDIF\n ENDIF\nC\n PSI3 = A3*A4*CHI3*(CHI4-PSI4) - PSI1*(2.D0*PSI2+PSI1+PSI4)\n PSI3 = PSI3/(A3*A4*(CHI4-PSI4) + 2.D0*PSI2+PSI1+PSI4) \nccc PSI3 = MIN(MAX(PSI3, ZERO), CHI3)\nC\n BB = PSI4-PSI3 ! (BB > 0, acidic solution, <0 alkaline)\nC\nC Do not change computation scheme for H+, all others did not work well.\nC\n DENM = BB+SQRT(BB*BB + 4.d0*A7)\n IF (DENM.LE.TINY) THEN ! Avoid overflow when HI->0\n ABB = ABS(BB)\n DENM = (BB+ABB) + 2.d0*A7/ABB ! Taylor expansion of SQRT\n ENDIF\n AHI = 2.d0*A7/DENM\nC\nC *** SPECIATION & WATER CONTENT ***************************************\nC\n MOLAL (1) = AHI ! HI\n MOLAL (3) = PSI1 + PSI4 + 2.D0*PSI2 ! NH4\n MOLAL (5) = PSI2 ! SO4\n MOLAL (6) = ZERO ! HSO4\n MOLAL (7) = PSI3 + PSI1 ! NO3\n CNH42S4 = CHI2 - PSI2 ! Solid (NH4)2SO4\n CNH4NO3 = ZERO ! Solid NH4NO3\n GHNO3 = CHI3 - PSI3 ! Gas HNO3\n GNH3 = CHI4 - PSI4 ! Gas NH3\n CALL CALCMR ! Water content\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT \n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nC\nC *** CALCULATE OBJECTIVE FUNCTION ************************************\nC\n20 CONTINUE\nCCC FUNCD2= NH4I/HI/MAX(GNH3,TINY)/A4 - ONE \n FUNCD2= MOLAL(3)/MOLAL(1)/MAX(GNH3,TINY)/A4 - ONE \n RETURN\nC\nC *** END OF FUNCTION FUNCD2 ********************************************\nC\n END\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCD1\nC *** CASE D1 \nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0)\nC 2. SOLID AEROSOL ONLY\nC 3. SOLIDS POSSIBLE : (NH4)2SO4, NH4NO3\nC\nC THERE ARE TWO REGIMES DEFINED BY RELATIVE HUMIDITY:\nC 1. RH < MDRH ; ONLY SOLID PHASE POSSIBLE (SUBROUTINE CALCD1A)\nC 2. RH >= MDRH ; LIQUID PHASE POSSIBLE (MDRH REGION)\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCD1\n INCLUDE 'isrpia.inc'\n EXTERNAL CALCD1A, CALCD2\nC\nC *** REGIME DEPENDS UPON THE AMBIENT RELATIVE HUMIDITY *****************\nC\n IF (RH.LT.DRMASAN) THEN \n SCASE = 'D1 ; SUBCASE 1' ! SOLID PHASE ONLY POSSIBLE\n CALL CALCD1A \n SCASE = 'D1 ; SUBCASE 1'\n ELSE\n SCASE = 'D1 ; SUBCASE 2' ! LIQUID & SOLID PHASE POSSIBLE\n CALL CALCMDRH (RH, DRMASAN, DRNH4NO3, CALCD1A, CALCD2)\n SCASE = 'D1 ; SUBCASE 2'\n ENDIF\nC \n RETURN\nC\nC *** END OF SUBROUTINE CALCD1 ******************************************\nC\n END\n\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCD1A\nC *** CASE D1 ; SUBCASE 1\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0)\nC 2. SOLID AEROSOL ONLY\nC 3. SOLIDS POSSIBLE : (NH4)2SO4, NH4NO3\nC\nC THE SOLID (NH4)2SO4 IS CALCULATED FROM THE SULFATES, WHILE NH4NO3\nC IS CALCULATED FROM NH3-HNO3 EQUILIBRIUM. 'ZE' IS THE AMOUNT OF\nC NH4NO3 THAT VOLATIZES WHEN ALL POSSILBE NH4NO3 IS INITIALLY IN\nC THE SOLID PHASE.\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCD1A\n INCLUDE 'isrpia.inc'\nC\nC *** SETUP PARAMETERS ************************************************\nC\n PARM = XK10/(R*TEMP)/(R*TEMP)\nC\nC *** CALCULATE NH4NO3 THAT VOLATIZES *********************************\nC\n CNH42S4 = W(2) \n X = MAX(ZERO, MIN(W(3)-2.0*CNH42S4, W(4))) ! MAX NH4NO3\n PS = MAX(W(3) - X - 2.0*CNH42S4, ZERO)\n OM = MAX(W(4) - X, ZERO)\nC\n OMPS = OM+PS\n DIAK = SQRT(OMPS*OMPS + 4.0*PARM) ! DIAKRINOUSA\n ZE = MIN(X, 0.5*(-OMPS + DIAK)) ! THETIKI RIZA\nC\nC *** SPECIATION *******************************************************\nC\n CNH4NO3 = X - ZE ! Solid NH4NO3\n GNH3 = PS + ZE ! Gas NH3\n GHNO3 = OM + ZE ! Gas HNO3\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCD1A *****************************************\nC\n END\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCG5\nC *** CASE G5\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; SODIUM POOR (SODRAT < 2.0)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : (NH4)2SO4, NH4CL, NA2SO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCG5\n INCLUDE 'isrpia.inc'\nC\n DOUBLE PRECISION LAMDA\n COMMON /CASEG/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, LAMDA,\n & PSI1, PSI2, PSI3, PSI4, PSI5, PSI6, PSI7,\n & A1, A2, A3, A4, A5, A6, A7\nC\nC *** SETUP PARAMETERS ************************************************\nC\n CALAOU = .TRUE. \n CHI1 = 0.5*W(1)\n CHI2 = MAX (W(2)-CHI1, ZERO)\n CHI3 = ZERO\n CHI4 = MAX (W(3)-2.D0*CHI2, ZERO)\n CHI5 = W(4)\n CHI6 = W(5)\nC \n PSI1 = CHI1\n PSI2 = CHI2\n PSI6LO = TINY \n PSI6HI = CHI6-TINY ! MIN(CHI6-TINY, CHI4)\nC\n WATER = CHI2/M0(4) + CHI1/M0(2)\nC\nC *** INITIAL VALUES FOR BISECTION ************************************\nC\n X1 = PSI6LO\n Y1 = FUNCG5A (X1)\n IF (CHI6.LE.TINY) GOTO 50 \nccc IF (ABS(Y1).LE.EPS .OR. CHI6.LE.TINY) GOTO 50 \nccc IF (WATER .LE. TINY) RETURN ! No water\nC\nC *** ROOT TRACKING ; FOR THE RANGE OF HI AND LO **********************\nC\n DX = (PSI6HI-PSI6LO)/FLOAT(NDIV)\n DO 10 I=1,NDIV\n X2 = X1+DX \n Y2 = FUNCG5A (X2)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y2).LT.ZERO) GOTO 20 ! (Y1*Y2.LT.ZERO)\n X1 = X2\n Y1 = Y2\n10 CONTINUE\nC\nC *** NO SUBDIVISION WITH SOLUTION; IF ABS(Y2) 2.0) ; SODIUM POOR (SODRAT < 2.0)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : (NH4)2SO4, NH4CL, NA2SO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n DOUBLE PRECISION FUNCTION FUNCG5A (X)\n INCLUDE 'isrpia.inc'\nC\n DOUBLE PRECISION LAMDA\n COMMON /CASEG/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, LAMDA,\n & PSI1, PSI2, PSI3, PSI4, PSI5, PSI6, PSI7,\n & A1, A2, A3, A4, A5, A6, A7\nC\nC *** SETUP PARAMETERS ************************************************\nC\n PSI6 = X\n FRST = .TRUE.\n CALAIN = .TRUE. \nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A1 = XK5 *(WATER/GAMA(2))**3.0\n A2 = XK7 *(WATER/GAMA(4))**3.0\n A4 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2.0\n A5 = XK4 *R*TEMP*(WATER/GAMA(10))**2.0\n A6 = XK3 *R*TEMP*(WATER/GAMA(11))**2.0\n AKK = A4*A6\nC\nC CALCULATE DISSOCIATION QUANTITIES\nC\n IF (CHI5.GE.TINY) THEN\n PSI5 = PSI6*CHI5/(A6/A5*(CHI6-PSI6) + PSI6)\n ELSE\n PSI5 = TINY\n ENDIF\nC\nCCC IF(CHI4.GT.TINY) THEN\n IF(W(2).GT.TINY) THEN ! Accounts for NH3 evaporation\n BB =-(CHI4 + PSI6 + PSI5 + 1.d0/A4)\n CC = CHI4*(PSI5+PSI6) - 2.d0*PSI2/A4\n DD = MAX(BB*BB-4.d0*CC,ZERO) ! Patch proposed by Uma Shankar, 19/11/01\n PSI4 =0.5d0*(-BB - SQRT(DD))\n ELSE\n PSI4 = TINY\n ENDIF\nC\nC *** CALCULATE SPECIATION ********************************************\nC\n MOLAL (2) = 2.0D0*PSI1 ! NAI\n MOLAL (3) = 2.0*PSI2 + PSI4 ! NH4I\n MOLAL (4) = PSI6 ! CLI\n MOLAL (5) = PSI2 + PSI1 ! SO4I\n MOLAL (6) = ZERO\n MOLAL (7) = PSI5 ! NO3I\nC\n SMIN = 2.d0*MOLAL(5)+MOLAL(7)+MOLAL(4)-MOLAL(2)-MOLAL(3)\n CALL CALCPH (SMIN, HI, OHI)\n MOLAL (1) = HI\nC \n GNH3 = MAX(CHI4 - PSI4, TINY) ! Gas NH3\n GHNO3 = MAX(CHI5 - PSI5, TINY) ! Gas HNO3\n GHCL = MAX(CHI6 - PSI6, TINY) ! Gas HCl\nC\n CNH42S4 = ZERO ! Solid (NH4)2SO4\n CNH4NO3 = ZERO ! Solid NH4NO3\n CNH4CL = ZERO ! Solid NH4Cl\nC\n CALL CALCMR ! Water content\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT \n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nC\nC *** CALCULATE FUNCTION VALUE FOR OUTER LOOP ***************************\nC\n20 FUNCG5A = MOLAL(1)*MOLAL(4)/GHCL/A6 - ONE\nCCC FUNCG5A = MOLAL(3)*MOLAL(4)/GHCL/GNH3/A6/A4 - ONE\nC\n RETURN\nC\nC *** END OF FUNCTION FUNCG5A *******************************************\nC\n END\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCG4\nC *** CASE G4\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; SODIUM POOR (SODRAT < 2.0)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : (NH4)2SO4, NH4CL, NA2SO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCG4\n INCLUDE 'isrpia.inc'\nC\n DOUBLE PRECISION LAMDA\n COMMON /CASEG/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, LAMDA,\n & PSI1, PSI2, PSI3, PSI4, PSI5, PSI6, PSI7,\n & A1, A2, A3, A4, A5, A6, A7\nC\nC *** SETUP PARAMETERS ************************************************\nC\n CALAOU = .TRUE. \n CHI1 = 0.5*W(1)\n CHI2 = MAX (W(2)-CHI1, ZERO)\n CHI3 = ZERO\n CHI4 = MAX (W(3)-2.D0*CHI2, ZERO)\n CHI5 = W(4)\n CHI6 = W(5)\nC \n PSI2 = CHI2\n PSI6LO = TINY \n PSI6HI = CHI6-TINY ! MIN(CHI6-TINY, CHI4)\nC\n WATER = CHI2/M0(4) + CHI1/M0(2)\nC\nC *** INITIAL VALUES FOR BISECTION ************************************\nC\n X1 = PSI6LO\n Y1 = FUNCG4A (X1)\n IF (CHI6.LE.TINY) GOTO 50 \nCCC IF (ABS(Y1).LE.EPS .OR. CHI6.LE.TINY .OR. WATER .LE. TINY) GOTO 50\nCCC IF (WATER .LE. TINY) RETURN ! No water\nC\nC *** ROOT TRACKING ; FOR THE RANGE OF HI AND LO **********************\nC\n DX = (PSI6HI-PSI6LO)/FLOAT(NDIV)\n DO 10 I=1,NDIV\n X2 = X1+DX\n Y2 = FUNCG4A (X2)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y2).LT.ZERO) GOTO 20 ! (Y1*Y2.LT.ZERO)\n X1 = X2\n Y1 = Y2\n10 CONTINUE\nC\nC *** NO SUBDIVISION WITH SOLUTION; IF ABS(Y2) 2.0) ; SODIUM POOR (SODRAT < 2.0)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : (NH4)2SO4, NH4CL, NA2SO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n DOUBLE PRECISION FUNCTION FUNCG4A (X)\n INCLUDE 'isrpia.inc'\nC\n DOUBLE PRECISION LAMDA, NAI, NH4I, NO3I\n COMMON /CASEG/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, LAMDA,\n & PSI1, PSI2, PSI3, PSI4, PSI5, PSI6, PSI7,\n & A1, A2, A3, A4, A5, A6, A7\nC\nC *** SETUP PARAMETERS ************************************************\nC\n PSI6 = X\n PSI1 = CHI1\n FRST = .TRUE.\n CALAIN = .TRUE. \nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A1 = XK5 *(WATER/GAMA(2))**3.0\n A2 = XK7 *(WATER/GAMA(4))**3.0\n A4 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2.0\n A5 = XK4 *R*TEMP*(WATER/GAMA(10))**2.0\n A6 = XK3 *R*TEMP*(WATER/GAMA(11))**2.0\nC\nC CALCULATE DISSOCIATION QUANTITIES\nC\n IF (CHI5.GE.TINY) THEN\n PSI5 = PSI6*CHI5/(A6/A5*(CHI6-PSI6) + PSI6)\n ELSE\n PSI5 = TINY\n ENDIF\nC\nCCC IF(CHI4.GT.TINY) THEN\n IF(W(2).GT.TINY) THEN ! Accounts for NH3 evaporation\n BB =-(CHI4 + PSI6 + PSI5 + 1.d0/A4)\n CC = CHI4*(PSI5+PSI6) - 2.d0*PSI2/A4\n DD = MAX(BB*BB-4.d0*CC,ZERO) ! Patch proposed by Uma shankar, 19/11/2001\n PSI4 =0.5d0*(-BB - SQRT(DD))\n ELSE\n PSI4 = TINY\n ENDIF\nC\nC CALCULATE CONCENTRATIONS\nC\n NH4I = 2.0*PSI2 + PSI4\n CLI = PSI6\n SO4I = PSI2 + PSI1\n NO3I = PSI5\n NAI = 2.0D0*PSI1 \nC\n CALL CALCPH(2.d0*SO4I+NO3I+CLI-NAI-NH4I, HI, OHI)\nC\nC *** Na2SO4 DISSOLUTION\nC\n IF (CHI1.GT.TINY .AND. WATER.GT.TINY) THEN ! PSI1\n CALL POLY3 (PSI2, ZERO, -A1/4.D0, PSI1, ISLV)\n IF (ISLV.EQ.0) THEN\n PSI1 = MIN (PSI1, CHI1)\n ELSE\n PSI1 = ZERO\n ENDIF\n ELSE\n PSI1 = ZERO\n ENDIF\nC\nC *** SAVE CONCENTRATIONS IN MOLAL ARRAY ******************************\nC\n MOLAL (1) = HI\n MOLAL (2) = NAI\n MOLAL (3) = NH4I\n MOLAL (4) = CLI\n MOLAL (5) = SO4I\n MOLAL (6) = ZERO\n MOLAL (7) = NO3I\nC \nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n GNH3 = MAX(CHI4 - PSI4, TINY)\n GHNO3 = MAX(CHI5 - PSI5, TINY)\n GHCL = MAX(CHI6 - PSI6, TINY)\nC\n CNH42S4 = ZERO\n CNH4NO3 = ZERO\n CNH4CL = ZERO\n CNA2SO4 = MAX(CHI1-PSI1,ZERO)\nC\nC *** CALCULATE MOLALR ARRAY, WATER AND ACTIVITIES **********************\nC\n CALL CALCMR\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT \n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nC\nC *** CALCULATE FUNCTION VALUE FOR OUTER LOOP ***************************\nC\n20 FUNCG4A = MOLAL(1)*MOLAL(4)/GHCL/A6 - ONE\nCCC FUNCG4A = MOLAL(3)*MOLAL(4)/GHCL/GNH3/A6/A4 - ONE\nC\n RETURN\nC\nC *** END OF FUNCTION FUNCG4A *******************************************\nC\n END\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCG3\nC *** CASE G3\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; SODIUM POOR (SODRAT < 2.0)\nC 2. LIQUID & SOLID PHASE ARE BOTH POSSIBLE\nC 3. SOLIDS POSSIBLE : (NH4)2SO4, NH4CL, NA2SO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCG3\n INCLUDE 'isrpia.inc'\n EXTERNAL CALCG1A, CALCG4\nC\nC *** REGIME DEPENDS ON THE EXISTANCE OF WATER AND OF THE RH ************\nC\n IF (W(4).GT.TINY .AND. W(5).GT.TINY) THEN ! NO3,CL EXIST, WATER POSSIBLE\n SCASE = 'G3 ; SUBCASE 1' \n CALL CALCG3A\n SCASE = 'G3 ; SUBCASE 1' \n ELSE ! NO3, CL NON EXISTANT\n SCASE = 'G1 ; SUBCASE 1' \n CALL CALCG1A\n SCASE = 'G1 ; SUBCASE 1' \n ENDIF\nC\n IF (WATER.LE.TINY) THEN\n IF (RH.LT.DRMG3) THEN ! ONLY SOLIDS \n WATER = TINY\n DO 10 I=1,NIONS\n MOLAL(I) = ZERO\n10 CONTINUE\n CALL CALCG1A\n SCASE = 'G3 ; SUBCASE 2' \n RETURN\n ELSE\n SCASE = 'G3 ; SUBCASE 3' ! MDRH REGION (NA2SO4, NH42S4) \n CALL CALCMDRH (RH, DRMG3, DRNH42S4, CALCG1A, CALCG4)\n SCASE = 'G3 ; SUBCASE 3' \n ENDIF\n ENDIF\nC \n RETURN\nC\nC *** END OF SUBROUTINE CALCG3 ******************************************\nC\n END\n\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCG3A\nC *** CASE G3 ; SUBCASE 1\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; SODIUM POOR (SODRAT < 2.0)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : (NH4)2SO4, NH4CL, NA2SO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCG3A\n INCLUDE 'isrpia.inc'\nC\n DOUBLE PRECISION LAMDA\n COMMON /CASEG/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, LAMDA,\n & PSI1, PSI2, PSI3, PSI4, PSI5, PSI6, PSI7,\n & A1, A2, A3, A4, A5, A6, A7\nC\nC *** SETUP PARAMETERS ************************************************\nC\n CALAOU = .TRUE. \n CHI1 = 0.5*W(1)\n CHI2 = MAX (W(2)-CHI1, ZERO)\n CHI3 = ZERO\n CHI4 = MAX (W(3)-2.D0*CHI2, ZERO)\n CHI5 = W(4)\n CHI6 = W(5)\nC \n PSI6LO = TINY \n PSI6HI = CHI6-TINY ! MIN(CHI6-TINY, CHI4)\nC\n WATER = TINY\nC\nC *** INITIAL VALUES FOR BISECTION ************************************\nC\n X1 = PSI6LO\n Y1 = FUNCG3A (X1)\n IF (CHI6.LE.TINY) GOTO 50 \nCCC IF (ABS(Y1).LE.EPS .OR. CHI6.LE.TINY .OR. WATER .LE. TINY) GOTO 50\nCCC IF (WATER .LE. TINY) RETURN ! No water\nC\nC *** ROOT TRACKING ; FOR THE RANGE OF HI AND LO **********************\nC\n DX = (PSI6HI-PSI6LO)/FLOAT(NDIV)\n DO 10 I=1,NDIV\n X2 = X1+DX \n Y2 = FUNCG3A (X2)\nC\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y2).LT.ZERO) GOTO 20 ! (Y1*Y2.LT.ZERO)\n X1 = X2\n Y1 = Y2\n10 CONTINUE\nC\nC *** NO SUBDIVISION WITH SOLUTION; IF ABS(Y2) 2.0) ; SODIUM POOR (SODRAT < 2.0)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : (NH4)2SO4, NH4CL, NA2SO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n DOUBLE PRECISION FUNCTION FUNCG3A (X)\n INCLUDE 'isrpia.inc'\nC\n DOUBLE PRECISION LAMDA\n COMMON /CASEG/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, LAMDA,\n & PSI1, PSI2, PSI3, PSI4, PSI5, PSI6, PSI7,\n & A1, A2, A3, A4, A5, A6, A7\nC\nC *** SETUP PARAMETERS ************************************************\nC\n PSI6 = X\n PSI2 = CHI2\n FRST = .TRUE.\n CALAIN = .TRUE. \nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A1 = XK5 *(WATER/GAMA(2))**3.0\n A2 = XK7 *(WATER/GAMA(4))**3.0\n A4 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2.0\n A5 = XK4 *R*TEMP*(WATER/GAMA(10))**2.0\n A6 = XK3 *R*TEMP*(WATER/GAMA(11))**2.0\nC\nC CALCULATE DISSOCIATION QUANTITIES\nC\n IF (CHI5.GE.TINY) THEN\n PSI5 = PSI6*CHI5/(A6/A5*(CHI6-PSI6) + PSI6)\n ELSE\n PSI5 = TINY\n ENDIF\nC\nCCC IF(CHI4.GT.TINY) THEN\n IF(W(2).GT.TINY) THEN ! Accounts for NH3 evaporation\n BB =-(CHI4 + PSI6 + PSI5 + 1.d0/A4)\n CC = CHI4*(PSI5+PSI6) - 2.d0*PSI2/A4\n DD = MAX(BB*BB-4.d0*CC,ZERO) ! Patch proposed by Uma Shankar, 19/11/01\n PSI4 =0.5d0*(-BB - SQRT(DD))\n ELSE\n PSI4 = TINY\n ENDIF\nC\n IF (CHI2.GT.TINY .AND. WATER.GT.TINY) THEN \n CALL POLY3 (PSI4, PSI4*PSI4/4.D0, -A2/4.D0, PSI20, ISLV)\n IF (ISLV.EQ.0) PSI2 = MIN (PSI20, CHI2)\n ENDIF\nC \nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n MOLAL (2) = ZERO ! Na\n MOLAL (3) = 2.0*PSI2 + PSI4 ! NH4I\n MOLAL (4) = PSI6 ! CLI\n MOLAL (5) = PSI2 ! SO4I\n MOLAL (6) = ZERO ! HSO4\n MOLAL (7) = PSI5 ! NO3I\nC\n SMIN = 2.d0*MOLAL(5)+MOLAL(7)+MOLAL(4)-MOLAL(2)-MOLAL(3)\n CALL CALCPH (SMIN, HI, OHI)\n MOLAL (1) = HI\nc\n GNH3 = MAX(CHI4 - PSI4, TINY) ! Gas NH3\n GHNO3 = MAX(CHI5 - PSI5, TINY) ! Gas HNO3\n GHCL = MAX(CHI6 - PSI6, TINY) ! Gas HCl\nC\n CNH42S4 = CHI2 - PSI2 ! Solid (NH4)2SO4\n CNH4NO3 = ZERO ! Solid NH4NO3\n CNH4CL = ZERO ! Solid NH4Cl\nC\n CALL CALCMR ! Water content\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT \n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nC\nC *** CALCULATE FUNCTION VALUE FOR OUTER LOOP ***************************\nC\n20 FUNCG3A = MOLAL(1)*MOLAL(4)/GHCL/A6 - ONE\nCCC FUNCG3A = MOLAL(3)*MOLAL(4)/GHCL/GNH3/A6/A4 - ONE\nC\n RETURN\nC\nC *** END OF FUNCTION FUNCG3A *******************************************\nC\n END\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCG2\nC *** CASE G2\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; SODIUM POOR (SODRAT < 2.0)\nC 2. LIQUID & SOLID PHASE ARE BOTH POSSIBLE\nC 3. SOLIDS POSSIBLE : (NH4)2SO4, NH4CL, NA2SO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCG2\n INCLUDE 'isrpia.inc'\n EXTERNAL CALCG1A, CALCG3A, CALCG4\nC\nC *** REGIME DEPENDS ON THE EXISTANCE OF NITRATES ***********************\nC\n IF (W(4).GT.TINY) THEN ! NO3 EXISTS, WATER POSSIBLE\n SCASE = 'G2 ; SUBCASE 1' \n CALL CALCG2A\n SCASE = 'G2 ; SUBCASE 1' \n ELSE ! NO3 NON EXISTANT, WATER NOT POSSIBLE\n SCASE = 'G1 ; SUBCASE 1' \n CALL CALCG1A\n SCASE = 'G1 ; SUBCASE 1' \n ENDIF\nC\nC *** REGIME DEPENDS ON THE EXISTANCE OF WATER AND OF THE RH ************\nC\n IF (WATER.LE.TINY) THEN\n IF (RH.LT.DRMG2) THEN ! ONLY SOLIDS \n WATER = TINY\n DO 10 I=1,NIONS\n MOLAL(I) = ZERO\n10 CONTINUE\n CALL CALCG1A\n SCASE = 'G2 ; SUBCASE 2' \n ELSE\n IF (W(5).GT. TINY) THEN\n SCASE = 'G2 ; SUBCASE 3' ! MDRH (NH4CL, NA2SO4, NH42S4) \n CALL CALCMDRH (RH, DRMG2, DRNH4CL, CALCG1A, CALCG3A)\n SCASE = 'G2 ; SUBCASE 3' \n ENDIF\n IF (WATER.LE.TINY .AND. RH.GE.DRMG3) THEN\n SCASE = 'G2 ; SUBCASE 4' ! MDRH (NA2SO4, NH42S4)\n CALL CALCMDRH (RH, DRMG3, DRNH42S4, CALCG1A, CALCG4)\n SCASE = 'G2 ; SUBCASE 4' \n ELSE\n WATER = TINY\n DO 20 I=1,NIONS\n MOLAL(I) = ZERO\n20 CONTINUE\n CALL CALCG1A\n SCASE = 'G2 ; SUBCASE 2' \n ENDIF\n ENDIF\n ENDIF\nC \n RETURN\nC\nC *** END OF SUBROUTINE CALCG2 ******************************************\nC\n END\n\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCG2A\nC *** CASE G2 ; SUBCASE 1\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; SODIUM POOR (SODRAT < 2.0)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : (NH4)2SO4, NH4CL, NA2SO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCG2A\n INCLUDE 'isrpia.inc'\nC\n DOUBLE PRECISION LAMDA\n COMMON /CASEG/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, LAMDA,\n & PSI1, PSI2, PSI3, PSI4, PSI5, PSI6, PSI7,\n & A1, A2, A3, A4, A5, A6, A7\nC\nC *** SETUP PARAMETERS ************************************************\nC\n CALAOU = .TRUE. \n CHI1 = 0.5*W(1)\n CHI2 = MAX (W(2)-CHI1, ZERO)\n CHI3 = ZERO\n CHI4 = MAX (W(3)-2.D0*CHI2, ZERO)\n CHI5 = W(4)\n CHI6 = W(5)\nC \n PSI6LO = TINY \n PSI6HI = CHI6-TINY\nC\n WATER = TINY\nC\nC *** INITIAL VALUES FOR BISECTION ************************************\nC\n X1 = PSI6LO\n Y1 = FUNCG2A (X1)\n IF (CHI6.LE.TINY) GOTO 50 \nCCC IF (ABS(Y1).LE.EPS .OR. CHI6.LE.TINY) GOTO 50 \nCCC IF (WATER .LE. TINY) GOTO 50 ! No water\nC\nC *** ROOT TRACKING ; FOR THE RANGE OF HI AND LO **********************\nC\n DX = (PSI6HI-PSI6LO)/FLOAT(NDIV)\n DO 10 I=1,NDIV\n X2 = X1+DX \n Y2 = FUNCG2A (X2)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y2).LT.ZERO) GOTO 20 ! (Y1*Y2.LT.ZERO)\n X1 = X2\n Y1 = Y2\n10 CONTINUE\nC\nC *** NO SUBDIVISION WITH SOLUTION; IF ABS(Y2) 2.0) ; SODIUM POOR (SODRAT < 2.0)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : (NH4)2SO4, NH4CL, NA2SO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n DOUBLE PRECISION FUNCTION FUNCG2A (X)\n INCLUDE 'isrpia.inc'\nC\n DOUBLE PRECISION LAMDA\n COMMON /CASEG/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, LAMDA,\n & PSI1, PSI2, PSI3, PSI4, PSI5, PSI6, PSI7,\n & A1, A2, A3, A4, A5, A6, A7\nC\nC *** SETUP PARAMETERS ************************************************\nC\n PSI6 = X\n PSI2 = CHI2\n PSI3 = ZERO\n FRST = .TRUE.\n CALAIN = .TRUE. \nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A1 = XK5 *(WATER/GAMA(2))**3.0\n A2 = XK7 *(WATER/GAMA(4))**3.0\n A4 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2.0\n A5 = XK4 *R*TEMP*(WATER/GAMA(10))**2.0\n A6 = XK3 *R*TEMP*(WATER/GAMA(11))**2.0\nC\n DENO = MAX(CHI6-PSI6-PSI3, ZERO)\n PSI5 = CHI5/((A6/A5)*(DENO/PSI6) + ONE)\nC\n PSI4 = MIN(PSI5+PSI6,CHI4)\nC\n IF (CHI2.GT.TINY .AND. WATER.GT.TINY) THEN \n CALL POLY3 (PSI4, PSI4*PSI4/4.D0, -A2/4.D0, PSI20, ISLV)\n IF (ISLV.EQ.0) PSI2 = MIN (PSI20, CHI2)\n ENDIF\nC\nC *** SAVE CONCENTRATIONS IN MOLAL ARRAY ******************************\nC\n MOLAL (2) = ZERO ! NA\n MOLAL (3) = 2.0*PSI2 + PSI4 ! NH4I\n MOLAL (4) = PSI6 ! CLI\n MOLAL (5) = PSI2 ! SO4I\n MOLAL (6) = ZERO ! HSO4\n MOLAL (7) = PSI5 ! NO3I\nC\nCCC MOLAL (1) = MAX(CHI5 - PSI5, TINY)*A5/PSI5 ! HI\n SMIN = 2.d0*MOLAL(5)+MOLAL(7)+MOLAL(4)-MOLAL(2)-MOLAL(3)\n CALL CALCPH (SMIN, HI, OHI)\n MOLAL (1) = HI\nC \nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n GNH3 = MAX(CHI4 - PSI4, TINY)\n GHNO3 = MAX(CHI5 - PSI5, TINY)\n GHCL = MAX(CHI6 - PSI6, TINY)\nC\n CNH42S4 = MAX(CHI2 - PSI2, ZERO)\n CNH4NO3 = ZERO\nC \nC *** NH4Cl(s) calculations\nC\n A3 = XK6 /(R*TEMP*R*TEMP)\n IF (GNH3*GHCL.GT.A3) THEN\n DELT = MIN(GNH3, GHCL)\n BB = -(GNH3+GHCL)\n CC = GNH3*GHCL-A3\n DD = BB*BB - 4.D0*CC\n PSI31 = 0.5D0*(-BB + SQRT(DD))\n PSI32 = 0.5D0*(-BB - SQRT(DD))\n IF (DELT-PSI31.GT.ZERO .AND. PSI31.GT.ZERO) THEN\n PSI3 = PSI31\n ELSEIF (DELT-PSI32.GT.ZERO .AND. PSI32.GT.ZERO) THEN\n PSI3 = PSI32\n ELSE\n PSI3 = ZERO\n ENDIF\n ELSE\n PSI3 = ZERO\n ENDIF\nC \nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n GNH3 = MAX(GNH3 - PSI3, TINY)\n GHCL = MAX(GHCL - PSI3, TINY)\n CNH4CL = PSI3\nC\nC *** CALCULATE MOLALR ARRAY, WATER AND ACTIVITIES **********************\nC\n CALL CALCMR\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT \n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nC\nC *** CALCULATE FUNCTION VALUE FOR OUTER LOOP ***************************\nC\n20 IF (CHI4.LE.TINY) THEN\n FUNCG2A = MOLAL(1)*MOLAL(4)/GHCL/A6 - ONE\n ELSE\n FUNCG2A = MOLAL(3)*MOLAL(4)/GHCL/GNH3/A6/A4 - ONE\n ENDIF\nC\n RETURN\nC\nC *** END OF FUNCTION FUNCG2A *******************************************\nC\n END\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCG1\nC *** CASE G1\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; SODIUM POOR (SODRAT < 2.0)\nC 2. SOLID AEROSOL ONLY\nC 3. SOLIDS POSSIBLE : (NH4)2SO4, NH4NO3, NH4CL, NA2SO4\nC\nC THERE ARE TWO POSSIBLE REGIMES HERE, DEPENDING ON RELATIVE HUMIDITY:\nC 1. WHEN RH >= MDRH ; LIQUID PHASE POSSIBLE (MDRH REGION)\nC 2. WHEN RH < MDRH ; ONLY SOLID PHASE POSSIBLE (SUBROUTINE CALCG1A)\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCG1\n INCLUDE 'isrpia.inc'\n EXTERNAL CALCG1A, CALCG2A\nC\nC *** REGIME DEPENDS UPON THE AMBIENT RELATIVE HUMIDITY *****************\nC\n IF (RH.LT.DRMG1) THEN \n SCASE = 'G1 ; SUBCASE 1' \n CALL CALCG1A ! SOLID PHASE ONLY POSSIBLE\n SCASE = 'G1 ; SUBCASE 1'\n ELSE\n SCASE = 'G1 ; SUBCASE 2' ! LIQUID & SOLID PHASE POSSIBLE\n CALL CALCMDRH (RH, DRMG1, DRNH4NO3, CALCG1A, CALCG2A)\n SCASE = 'G1 ; SUBCASE 2'\n ENDIF\nC \n RETURN\nC\nC *** END OF SUBROUTINE CALCG1 ******************************************\nC\n END\n\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCG1A\nC *** CASE G1 ; SUBCASE 1\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0)\nC 2. SOLID AEROSOL ONLY\nC 3. SOLIDS POSSIBLE : (NH4)2SO4, NH4NO3\nC\nC SOLID (NH4)2SO4 IS CALCULATED FROM THE SULFATES, WHILE NH4NO3\nC IS CALCULATED FROM NH3-HNO3 EQUILIBRIUM. 'ZE' IS THE AMOUNT OF\nC NH4NO3 THAT VOLATIZES WHEN ALL POSSILBE NH4NO3 IS INITIALLY IN\nC THE SOLID PHASE.\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCG1A\n INCLUDE 'isrpia.inc'\n DOUBLE PRECISION LAMDA, LAMDA1, LAMDA2, KAPA, KAPA1, KAPA2\nC\nC *** CALCULATE NON VOLATILE SOLIDS ***********************************\nC\n CNA2SO4 = MIN (0.5*W(1), W(2))\n FRNA = MAX(W(1) - 2.D0*CNA2SO4, ZERO)\n SO4FR = MAX(W(2) - CNA2SO4, ZERO)\nC CNH42S4 = W(2) - CNA2SO4\n CNH42S4 = MAX (SO4FR , ZERO) ! CNH42S4\nC\nC *** CALCULATE VOLATILE SPECIES **************************************\nC\n ALF = W(3) - 2.0*CNH42S4\n BET = W(5)\n GAM = W(4)\nC\n RTSQ = R*TEMP*R*TEMP\n A1 = XK6/RTSQ\n A2 = XK10/RTSQ\nC\n THETA1 = GAM - BET*(A2/A1)\n THETA2 = A2/A1\nC\nC QUADRATIC EQUATION SOLUTION\nC\n BB = (THETA1-ALF-BET*(ONE+THETA2))/(ONE+THETA2)\n CC = (ALF*BET-A1-BET*THETA1)/(ONE+THETA2)\n DD = BB*BB - 4.0D0*CC\n IF (DD.LT.ZERO) GOTO 100 ! Solve each reaction seperately\nC\nC TWO ROOTS FOR KAPA, CHECK AND SEE IF ANY VALID\nC\n SQDD = SQRT(DD)\n KAPA1 = 0.5D0*(-BB+SQDD)\n KAPA2 = 0.5D0*(-BB-SQDD)\n LAMDA1 = THETA1 + THETA2*KAPA1\n LAMDA2 = THETA1 + THETA2*KAPA2\nC\n IF (KAPA1.GE.ZERO .AND. LAMDA1.GE.ZERO) THEN\n IF (ALF-KAPA1-LAMDA1.GE.ZERO .AND.\n & BET-KAPA1.GE.ZERO .AND. GAM-LAMDA1.GE.ZERO) THEN\n KAPA = KAPA1\n LAMDA= LAMDA1\n GOTO 200\n ENDIF\n ENDIF\nC\n IF (KAPA2.GE.ZERO .AND. LAMDA2.GE.ZERO) THEN\n IF (ALF-KAPA2-LAMDA2.GE.ZERO .AND. \n & BET-KAPA2.GE.ZERO .AND. GAM-LAMDA2.GE.ZERO) THEN\n KAPA = KAPA2\n LAMDA= LAMDA2\n GOTO 200\n ENDIF\n ENDIF\nC\nC SEPERATE SOLUTION OF NH4CL & NH4NO3 EQUILIBRIA \nC \n100 KAPA = ZERO\n LAMDA = ZERO\n DD1 = (ALF+BET)*(ALF+BET) - 4.0D0*(ALF*BET-A1)\n DD2 = (ALF+GAM)*(ALF+GAM) - 4.0D0*(ALF*GAM-A2)\nC\nC NH4CL EQUILIBRIUM\nC\n IF (DD1.GE.ZERO) THEN\n SQDD1 = SQRT(DD1)\n KAPA1 = 0.5D0*(ALF+BET + SQDD1)\n KAPA2 = 0.5D0*(ALF+BET - SQDD1)\nC\n IF (KAPA1.GE.ZERO .AND. KAPA1.LE.MIN(ALF,BET)) THEN\n KAPA = KAPA1 \n ELSE IF (KAPA2.GE.ZERO .AND. KAPA2.LE.MIN(ALF,BET)) THEN\n KAPA = KAPA2\n ELSE\n KAPA = ZERO\n ENDIF\n ENDIF\nC\nC NH4NO3 EQUILIBRIUM\nC\n IF (DD2.GE.ZERO) THEN\n SQDD2 = SQRT(DD2)\n LAMDA1= 0.5D0*(ALF+GAM + SQDD2)\n LAMDA2= 0.5D0*(ALF+GAM - SQDD2)\nC\n IF (LAMDA1.GE.ZERO .AND. LAMDA1.LE.MIN(ALF,GAM)) THEN\n LAMDA = LAMDA1 \n ELSE IF (LAMDA2.GE.ZERO .AND. LAMDA2.LE.MIN(ALF,GAM)) THEN\n LAMDA = LAMDA2\n ELSE\n LAMDA = ZERO\n ENDIF\n ENDIF\nC\nC IF BOTH KAPA, LAMDA ARE > 0, THEN APPLY EXISTANCE CRITERION\nC\n IF (KAPA.GT.ZERO .AND. LAMDA.GT.ZERO) THEN\n IF (BET .LT. LAMDA/THETA1) THEN\n KAPA = ZERO\n ELSE\n LAMDA= ZERO\n ENDIF\n ENDIF\nC\nC *** CALCULATE COMPOSITION OF VOLATILE SPECIES ***********************\nC\n200 CONTINUE\n CNH4NO3 = LAMDA\n CNH4CL = KAPA\nC\n GNH3 = MAX(ALF - KAPA - LAMDA, ZERO)\n GHNO3 = MAX(GAM - LAMDA, ZERO)\n GHCL = MAX(BET - KAPA, ZERO)\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCG1A *****************************************\nC\n END\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCH6\nC *** CASE H6\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; SODIUM RICH (SODRAT >= 2.0)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : (NH4)2SO4, NH4CL, NA2SO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCH6\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n CALAOU = .TRUE. \n CHI1 = W(2) ! CNA2SO4\n CHI2 = ZERO ! CNH42S4\n CHI3 = ZERO ! CNH4CL\n FRNA = MAX (W(1)-2.D0*CHI1, ZERO) \n CHI8 = MIN (FRNA, W(4)) ! CNANO3\n CHI4 = W(3) ! NH3(g)\n CHI5 = MAX (W(4)-CHI8, ZERO) ! HNO3(g)\n CHI7 = MIN (MAX(FRNA-CHI8, ZERO), W(5)) ! CNACL\n CHI6 = MAX (W(5)-CHI7, ZERO) ! HCL(g)\nC\n PSI6LO = TINY \n PSI6HI = CHI6-TINY ! MIN(CHI6-TINY, CHI4)\nC\nC *** INITIAL VALUES FOR BISECTION ************************************\nC\n X1 = PSI6LO\n Y1 = FUNCH6A (X1)\n IF (ABS(Y1).LE.EPS .OR. CHI6.LE.TINY) GOTO 50 \nC\nC *** ROOT TRACKING ; FOR THE RANGE OF HI AND LO **********************\nC\n DX = (PSI6HI-PSI6LO)/FLOAT(NDIV)\n DO 10 I=1,NDIV\n X2 = X1+DX \n Y2 = FUNCH6A (X2)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y2).LT.ZERO) GOTO 20 ! (Y1*Y2.LT.ZERO)\n X1 = X2\n Y1 = Y2\n10 CONTINUE\nC\nC *** NO SUBDIVISION WITH SOLUTION; IF ABS(Y2) 2.0) ; SODIUM RICH (SODRAT >= 2.0)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : (NH4)2SO4, NH4CL, NA2SO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n DOUBLE PRECISION FUNCTION FUNCH6A (X)\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n PSI6 = X\n PSI1 = CHI1\n PSI2 = ZERO\n PSI3 = ZERO\n PSI7 = CHI7\n PSI8 = CHI8 \n FRST = .TRUE.\n CALAIN = .TRUE. \nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A1 = XK5 *(WATER/GAMA(2))**3.0\n A4 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2.0\n A5 = XK4 *R*TEMP*(WATER/GAMA(10))**2.0\n A6 = XK3 *R*TEMP*(WATER/GAMA(11))**2.0\n A7 = XK8 *(WATER/GAMA(1))**2.0\n A8 = XK9 *(WATER/GAMA(3))**2.0\n A9 = XK1*WATER/GAMA(7)*(GAMA(8)/GAMA(7))**2.\nC\nC CALCULATE DISSOCIATION QUANTITIES\nC\n PSI5 = CHI5*(PSI6+PSI7) - A6/A5*PSI8*(CHI6-PSI6-PSI3)\n PSI5 = PSI5/(A6/A5*(CHI6-PSI6-PSI3) + PSI6 + PSI7)\n PSI5 = MAX(PSI5, TINY)\nC\n IF (W(3).GT.TINY .AND. WATER.GT.TINY) THEN ! First try 3rd order soln\n BB =-(CHI4 + PSI6 + PSI5 + 1.d0/A4)\n CC = CHI4*(PSI5+PSI6)\n DD = BB*BB-4.d0*CC\n PSI4 =0.5d0*(-BB - SQRT(DD))\n PSI4 = MIN(PSI4,CHI4)\n ELSE\n PSI4 = TINY\n ENDIF\nC\nC *** CALCULATE SPECIATION ********************************************\nC\n MOLAL (2) = PSI8 + PSI7 + 2.D0*PSI1 ! NAI\n MOLAL (3) = PSI4 ! NH4I\n MOLAL (4) = PSI6 + PSI7 ! CLI\n MOLAL (5) = PSI2 + PSI1 ! SO4I\n MOLAL (6) = ZERO ! HSO4I\n MOLAL (7) = PSI5 + PSI8 ! NO3I\nC\n SMIN = 2.d0*MOLAL(5)+MOLAL(7)+MOLAL(4)-MOLAL(2)-MOLAL(3)\n CALL CALCPH (SMIN, HI, OHI)\n MOLAL (1) = HI\nC \n GNH3 = MAX(CHI4 - PSI4, TINY)\n GHNO3 = MAX(CHI5 - PSI5, TINY)\n GHCL = MAX(CHI6 - PSI6, TINY)\nC\n CNH42S4 = ZERO\n CNH4NO3 = ZERO\n CNACL = MAX(CHI7 - PSI7, ZERO)\n CNANO3 = MAX(CHI8 - PSI8, ZERO)\n CNA2SO4 = MAX(CHI1 - PSI1, ZERO) \nC\n CALL CALCMR ! Water content\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT \n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nC\nC *** CALCULATE FUNCTION VALUE FOR OUTER LOOP ***************************\nC\n20 FUNCH6A = MOLAL(3)*MOLAL(4)/GHCL/GNH3/A6/A4 - ONE\nC\n RETURN\nC\nC *** END OF FUNCTION FUNCH6A *******************************************\nC\n END\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCH5\nC *** CASE H5\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; SODIUM RICH (SODRAT >= 2.0)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : (NH4)2SO4, NH4CL, NA2SO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCH5\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** REGIME DEPENDS ON THE EXISTANCE OF NITRATES ***********************\nC\n IF (W(4).LE.TINY .AND. W(5).LE.TINY) THEN \n SCASE = 'H5' \n CALL CALCH1A\n SCASE = 'H5' \n RETURN\n ENDIF\nC\nC *** SETUP PARAMETERS ************************************************\nC\n CALAOU = .TRUE. \n CHI1 = W(2) ! CNA2SO4\n CHI2 = ZERO ! CNH42S4\n CHI3 = ZERO ! CNH4CL\n FRNA = MAX (W(1)-2.D0*CHI1, ZERO) \n CHI8 = MIN (FRNA, W(4)) ! CNANO3\n CHI4 = W(3) ! NH3(g)\n CHI5 = MAX (W(4)-CHI8, ZERO) ! HNO3(g)\n CHI7 = MIN (MAX(FRNA-CHI8, ZERO), W(5)) ! CNACL\n CHI6 = MAX (W(5)-CHI7, ZERO) ! HCL(g)\nC\n PSI6LO = TINY \n PSI6HI = CHI6-TINY ! MIN(CHI6-TINY, CHI4)\nC\nC *** INITIAL VALUES FOR BISECTION ************************************\nC\n X1 = PSI6LO\n Y1 = FUNCH5A (X1)\n IF (ABS(Y1).LE.EPS .OR. CHI6.LE.TINY) GOTO 50 \nC\nC *** ROOT TRACKING ; FOR THE RANGE OF HI AND LO **********************\nC\n DX = (PSI6HI-PSI6LO)/FLOAT(NDIV)\n DO 10 I=1,NDIV\n X2 = X1+DX \n Y2 = FUNCH5A (X2)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y2).LT.ZERO) GOTO 20 ! (Y1*Y2.LT.ZERO)\n X1 = X2\n Y1 = Y2\n10 CONTINUE\nC\nC *** NO SUBDIVISION WITH SOLUTION; IF ABS(Y2) 2.0) ; SODIUM RICH (SODRAT >= 2.0)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : NONE\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n DOUBLE PRECISION FUNCTION FUNCH5A (X)\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n PSI6 = X\n PSI1 = CHI1\n PSI2 = ZERO\n PSI3 = ZERO\n PSI7 = CHI7\n PSI8 = CHI8 \n FRST = .TRUE.\n CALAIN = .TRUE. \nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A1 = XK5 *(WATER/GAMA(2))**3.0\n A4 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2.0\n A5 = XK4 *R*TEMP*(WATER/GAMA(10))**2.0\n A6 = XK3 *R*TEMP*(WATER/GAMA(11))**2.0\n A7 = XK8 *(WATER/GAMA(1))**2.0\n A8 = XK9 *(WATER/GAMA(3))**2.0\n A9 = XK1*WATER/GAMA(7)*(GAMA(8)/GAMA(7))**2.\nC\nC CALCULATE DISSOCIATION QUANTITIES\nC\n PSI5 = CHI5*(PSI6+PSI7) - A6/A5*PSI8*(CHI6-PSI6-PSI3)\n PSI5 = PSI5/(A6/A5*(CHI6-PSI6-PSI3) + PSI6 + PSI7)\n PSI5 = MAX(PSI5, TINY)\nC\n IF (W(3).GT.TINY .AND. WATER.GT.TINY) THEN ! First try 3rd order soln\n BB =-(CHI4 + PSI6 + PSI5 + 1.d0/A4)\n CC = CHI4*(PSI5+PSI6)\n DD = BB*BB-4.d0*CC\n PSI4 =0.5d0*(-BB - SQRT(DD))\n PSI4 = MIN(PSI4,CHI4)\n ELSE\n PSI4 = TINY\n ENDIF\nC\n IF (CHI1.GT.TINY .AND. WATER.GT.TINY) THEN ! NA2SO4 DISSOLUTION\n AA = PSI7+PSI8\n BB = AA*AA\n CC =-A1/4.D0\n CALL POLY3 (AA, BB, CC, PSI1, ISLV)\n IF (ISLV.EQ.0) THEN\n PSI1 = MIN (PSI1, CHI1)\n ELSE\n PSI1 = ZERO\n ENDIF\n ENDIF\nC\nC *** CALCULATE SPECIATION ********************************************\nC\n MOLAL (2) = PSI8 + PSI7 + 2.D0*PSI1 ! NAI\n MOLAL (3) = PSI4 ! NH4I\n MOLAL (4) = PSI6 + PSI7 ! CLI\n MOLAL (5) = PSI2 + PSI1 ! SO4I\n MOLAL (6) = ZERO\n MOLAL (7) = PSI5 + PSI8 ! NO3I\nC\n SMIN = 2.d0*MOLAL(5)+MOLAL(7)+MOLAL(4)-MOLAL(2)-MOLAL(3)\n CALL CALCPH (SMIN, HI, OHI)\n MOLAL (1) = HI\nC \n GNH3 = MAX(CHI4 - PSI4, TINY)\n GHNO3 = MAX(CHI5 - PSI5, TINY)\n GHCL = MAX(CHI6 - PSI6, TINY)\nC\n CNH42S4 = ZERO\n CNH4NO3 = ZERO\n CNACL = MAX(CHI7 - PSI7, ZERO)\n CNANO3 = MAX(CHI8 - PSI8, ZERO)\n CNA2SO4 = MAX(CHI1 - PSI1, ZERO) \nC\n CALL CALCMR ! Water content\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT \n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nC\nC *** CALCULATE FUNCTION VALUE FOR OUTER LOOP ***************************\nC\n20 FUNCH5A = MOLAL(3)*MOLAL(4)/GHCL/GNH3/A6/A4 - ONE\nC\n RETURN\nC\nC *** END OF FUNCTION FUNCH5A *******************************************\nC\n END\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCH4\nC *** CASE H4\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; SODIUM RICH (SODRAT >= 2.0)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : NA2SO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCH4\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** REGIME DEPENDS ON THE EXISTANCE OF NITRATES ***********************\nC\n IF (W(4).LE.TINY .AND. W(5).LE.TINY) THEN \n SCASE = 'H4' \n CALL CALCH1A\n SCASE = 'H4' \n RETURN\n ENDIF\nC\nC *** SETUP PARAMETERS ************************************************\nC\n CALAOU = .TRUE. \n CHI1 = W(2) ! CNA2SO4\n CHI2 = ZERO ! CNH42S4\n CHI3 = ZERO ! CNH4CL\n FRNA = MAX (W(1)-2.D0*CHI1, ZERO) \n CHI8 = MIN (FRNA, W(4)) ! CNANO3\n CHI4 = W(3) ! NH3(g)\n CHI5 = MAX (W(4)-CHI8, ZERO) ! HNO3(g)\n CHI7 = MIN (MAX(FRNA-CHI8, ZERO), W(5)) ! CNACL\n CHI6 = MAX (W(5)-CHI7, ZERO) ! HCL(g)\nC\n PSI6LO = TINY \n PSI6HI = CHI6-TINY ! MIN(CHI6-TINY, CHI4)\nC\nC *** INITIAL VALUES FOR BISECTION ************************************\nC\n X1 = PSI6LO\n Y1 = FUNCH4A (X1)\n IF (ABS(Y1).LE.EPS .OR. CHI6.LE.TINY) GOTO 50 \nC\nC *** ROOT TRACKING ; FOR THE RANGE OF HI AND LO **********************\nC\n DX = (PSI6HI-PSI6LO)/FLOAT(NDIV)\n DO 10 I=1,NDIV\n X2 = X1+DX \n Y2 = FUNCH4A (X2)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y2).LT.ZERO) GOTO 20 ! (Y1*Y2.LT.ZERO)\n X1 = X2\n Y1 = Y2\n10 CONTINUE\nC\nC *** NO SUBDIVISION WITH SOLUTION; IF ABS(Y2) 2.0) ; SODIUM RICH (SODRAT >= 2.0)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : (NH4)2SO4, NH4CL, NA2SO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n DOUBLE PRECISION FUNCTION FUNCH4A (X)\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n PSI6 = X\n PSI1 = CHI1\n PSI2 = ZERO\n PSI3 = ZERO\n PSI7 = CHI7\n PSI8 = CHI8 \n FRST = .TRUE.\n CALAIN = .TRUE. \nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A1 = XK5 *(WATER/GAMA(2))**3.0\n A4 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2.0\n A5 = XK4 *R*TEMP*(WATER/GAMA(10))**2.0\n A6 = XK3 *R*TEMP*(WATER/GAMA(11))**2.0\n A7 = XK8 *(WATER/GAMA(1))**2.0\n A8 = XK9 *(WATER/GAMA(3))**2.0\n A9 = XK1*WATER/GAMA(7)*(GAMA(8)/GAMA(7))**2.\nC\nC CALCULATE DISSOCIATION QUANTITIES\nC\n PSI5 = CHI5*(PSI6+PSI7) - A6/A5*PSI8*(CHI6-PSI6-PSI3)\n PSI5 = PSI5/(A6/A5*(CHI6-PSI6-PSI3) + PSI6 + PSI7)\n PSI5 = MAX(PSI5, TINY)\nC\n IF (W(3).GT.TINY .AND. WATER.GT.TINY) THEN ! First try 3rd order soln\n BB =-(CHI4 + PSI6 + PSI5 + 1.d0/A4)\n CC = CHI4*(PSI5+PSI6)\n DD = BB*BB-4.d0*CC\n PSI4 =0.5d0*(-BB - SQRT(DD))\n PSI4 = MIN(PSI4,CHI4)\n ELSE\n PSI4 = TINY\n ENDIF\nC\n IF (CHI1.GT.TINY .AND. WATER.GT.TINY) THEN ! NA2SO4 DISSOLUTION\n AA = PSI7+PSI8\n BB = AA*AA\n CC =-A1/4.D0\n CALL POLY3 (AA, BB, CC, PSI1, ISLV)\n IF (ISLV.EQ.0) THEN\n PSI1 = MIN (PSI1, CHI1)\n ELSE\n PSI1 = ZERO\n ENDIF\n ENDIF\nC\nC *** CALCULATE SPECIATION ********************************************\nC\n MOLAL (2) = PSI8 + PSI7 + 2.D0*PSI1 ! NAI\n MOLAL (3) = PSI4 ! NH4I\n MOLAL (4) = PSI6 + PSI7 ! CLI\n MOLAL (5) = PSI2 + PSI1 ! SO4I\n MOLAL (6) = ZERO\n MOLAL (7) = PSI5 + PSI8 ! NO3I\nC\n SMIN = 2.d0*MOLAL(5)+MOLAL(7)+MOLAL(4)-MOLAL(2)-MOLAL(3)\n CALL CALCPH (SMIN, HI, OHI)\n MOLAL (1) = HI\nC \nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n GNH3 = MAX(CHI4 - PSI4, TINY)\n GHNO3 = MAX(CHI5 - PSI5, TINY)\n GHCL = MAX(CHI6 - PSI6, TINY)\nC\n CNH42S4 = ZERO\n CNH4NO3 = ZERO\n CNACL = MAX(CHI7 - PSI7, ZERO)\n CNANO3 = MAX(CHI8 - PSI8, ZERO)\n CNA2SO4 = MAX(CHI1 - PSI1, ZERO) \nC \nC *** NH4Cl(s) calculations\nC\n A3 = XK6 /(R*TEMP*R*TEMP)\n DELT = MIN(GNH3, GHCL)\n BB = -(GNH3+GHCL)\n CC = GNH3*GHCL-A3\n DD = BB*BB - 4.D0*CC\n PSI31 = 0.5D0*(-BB + SQRT(DD))\n PSI32 = 0.5D0*(-BB - SQRT(DD))\n IF (DELT-PSI31.GT.ZERO .AND. PSI31.GT.ZERO) THEN\n PSI3 = PSI31\n ELSEIF (DELT-PSI32.GT.ZERO .AND. PSI32.GT.ZERO) THEN\n PSI3 = PSI32\n ELSE\n PSI3 = ZERO\n ENDIF\nC \nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n GNH3 = MAX(GNH3 - PSI3, TINY)\n GHCL = MAX(GHCL - PSI3, TINY)\n CNH4CL = PSI3\nC \n CALL CALCMR ! Water content\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT \n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nC\nC *** CALCULATE FUNCTION VALUE FOR OUTER LOOP ***************************\nC\n20 FUNCH4A = MOLAL(3)*MOLAL(4)/GHCL/GNH3/A6/A4 - ONE\nC\n RETURN\nC\nC *** END OF FUNCTION FUNCH4A *******************************************\nC\n END\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCH3\nC *** CASE H3\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; SODIUM RICH (SODRAT >= 2.0)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : NH4CL, NA2SO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCH3\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** REGIME DEPENDS ON THE EXISTANCE OF NITRATES ***********************\nC\n IF (W(4).LE.TINY) THEN ! NO3 NOT EXIST, WATER NOT POSSIBLE\n SCASE = 'H3' \n CALL CALCH1A\n SCASE = 'H3' \n RETURN\n ENDIF\nC\nC *** SETUP PARAMETERS ************************************************\nC\n CALAOU = .TRUE. \n CHI1 = W(2) ! CNA2SO4\n CHI2 = ZERO ! CNH42S4\n CHI3 = ZERO ! CNH4CL\n FRNA = MAX (W(1)-2.D0*CHI1, ZERO) \n CHI8 = MIN (FRNA, W(4)) ! CNANO3\n CHI4 = W(3) ! NH3(g)\n CHI5 = MAX (W(4)-CHI8, ZERO) ! HNO3(g)\n CHI7 = MIN (MAX(FRNA-CHI8, ZERO), W(5)) ! CNACL\n CHI6 = MAX (W(5)-CHI7, ZERO) ! HCL(g)\nC\n PSI6LO = TINY \n PSI6HI = CHI6-TINY ! MIN(CHI6-TINY, CHI4)\nC\nC *** INITIAL VALUES FOR BISECTION ************************************\nC\n X1 = PSI6LO\n Y1 = FUNCH3A (X1)\n IF (ABS(Y1).LE.EPS .OR. CHI6.LE.TINY) GOTO 50 \nC\nC *** ROOT TRACKING ; FOR THE RANGE OF HI AND LO **********************\nC\n DX = (PSI6HI-PSI6LO)/FLOAT(NDIV)\n DO 10 I=1,NDIV\n X2 = X1+DX \n Y2 = FUNCH3A (X2)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y2).LT.ZERO) GOTO 20 ! (Y1*Y2.LT.ZERO)\n X1 = X2\n Y1 = Y2\n10 CONTINUE\nC\nC *** NO SUBDIVISION WITH SOLUTION; IF ABS(Y2) 2.0) ; SODIUM RICH (SODRAT >= 2.0)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : (NH4)2SO4, NH4CL, NA2SO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n DOUBLE PRECISION FUNCTION FUNCH3A (X)\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n PSI6 = X\n PSI1 = CHI1\n PSI2 = ZERO\n PSI3 = ZERO\n PSI7 = CHI7\n PSI8 = CHI8 \n FRST = .TRUE.\n CALAIN = .TRUE. \nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A1 = XK5 *(WATER/GAMA(2))**3.0\n A4 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2.0\n A5 = XK4 *R*TEMP*(WATER/GAMA(10))**2.0\n A6 = XK3 *R*TEMP*(WATER/GAMA(11))**2.0\n A7 = XK8 *(WATER/GAMA(1))**2.0\n A8 = XK9 *(WATER/GAMA(3))**2.0\n A9 = XK1*WATER/GAMA(7)*(GAMA(8)/GAMA(7))**2.\nC\nC CALCULATE DISSOCIATION QUANTITIES\nC\n PSI5 = CHI5*(PSI6+PSI7) - A6/A5*PSI8*(CHI6-PSI6-PSI3)\n PSI5 = PSI5/(A6/A5*(CHI6-PSI6-PSI3) + PSI6 + PSI7)\n PSI5 = MAX(PSI5, TINY)\nC\n IF (W(3).GT.TINY .AND. WATER.GT.TINY) THEN ! First try 3rd order soln\n BB =-(CHI4 + PSI6 + PSI5 + 1.d0/A4)\n CC = CHI4*(PSI5+PSI6)\n DD = BB*BB-4.d0*CC\n PSI4 =0.5d0*(-BB - SQRT(DD))\n PSI4 = MIN(PSI4,CHI4)\n ELSE\n PSI4 = TINY\n ENDIF\nC\n IF (CHI7.GT.TINY .AND. WATER.GT.TINY) THEN ! NACL DISSOLUTION\n DIAK = (PSI8-PSI6)**2.D0 + 4.D0*A7\n PSI7 = 0.5D0*( -(PSI8+PSI6) + SQRT(DIAK) )\n PSI7 = MAX(MIN(PSI7, CHI7), ZERO)\n ENDIF\nC\n IF (CHI1.GT.TINY .AND. WATER.GT.TINY) THEN ! NA2SO4 DISSOLUTION\n AA = PSI7+PSI8\n BB = AA*AA\n CC =-A1/4.D0\n CALL POLY3 (AA, BB, CC, PSI1, ISLV)\n IF (ISLV.EQ.0) THEN\n PSI1 = MIN (PSI1, CHI1)\n ELSE\n PSI1 = ZERO\n ENDIF\n ENDIF\nC\nC *** CALCULATE SPECIATION ********************************************\nC\n MOLAL (2) = PSI8 + PSI7 + 2.D0*PSI1 ! NAI\n MOLAL (3) = PSI4 ! NH4I\n MOLAL (4) = PSI6 + PSI7 ! CLI\n MOLAL (5) = PSI2 + PSI1 ! SO4I\n MOLAL (6) = ZERO\n MOLAL (7) = PSI5 + PSI8 ! NO3I\nC\n SMIN = 2.d0*MOLAL(5)+MOLAL(7)+MOLAL(4)-MOLAL(2)-MOLAL(3)\n CALL CALCPH (SMIN, HI, OHI)\n MOLAL (1) = HI\nC \nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n GNH3 = MAX(CHI4 - PSI4, TINY)\n GHNO3 = MAX(CHI5 - PSI5, TINY)\n GHCL = MAX(CHI6 - PSI6, TINY)\nC\n CNH42S4 = ZERO\n CNH4NO3 = ZERO\n CNACL = MAX(CHI7 - PSI7, ZERO)\n CNANO3 = MAX(CHI8 - PSI8, ZERO)\n CNA2SO4 = MAX(CHI1 - PSI1, ZERO) \nC \nC *** NH4Cl(s) calculations\nC\n A3 = XK6 /(R*TEMP*R*TEMP)\n DELT = MIN(GNH3, GHCL)\n BB = -(GNH3+GHCL)\n CC = GNH3*GHCL-A3\n DD = BB*BB - 4.D0*CC\n PSI31 = 0.5D0*(-BB + SQRT(DD))\n PSI32 = 0.5D0*(-BB - SQRT(DD))\n IF (DELT-PSI31.GT.ZERO .AND. PSI31.GT.ZERO) THEN\n PSI3 = PSI31\n ELSEIF (DELT-PSI32.GT.ZERO .AND. PSI32.GT.ZERO) THEN\n PSI3 = PSI32\n ELSE\n PSI3 = ZERO\n ENDIF\nC \nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n GNH3 = MAX(GNH3 - PSI3, TINY)\n GHCL = MAX(GHCL - PSI3, TINY)\n CNH4CL = PSI3\nC\n CALL CALCMR ! Water content\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT \n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nC\nC *** CALCULATE FUNCTION VALUE FOR OUTER LOOP ***************************\nC\n20 FUNCH3A = MOLAL(3)*MOLAL(4)/GHCL/GNH3/A6/A4 - ONE\nC\n RETURN\nC\nC *** END OF FUNCTION FUNCH3A *******************************************\nC\n END\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCH2\nC *** CASE H2\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; SODIUM RICH (SODRAT >= 2.0)\nC 2. SOLID & LIQUID AEROSOL POSSIBLE\nC 3. SOLIDS POSSIBLE : NH4Cl, NA2SO4, NANO3, NACL\nC\nC THERE ARE THREE REGIMES IN THIS CASE:\nC 1. NH4NO3(s) POSSIBLE. LIQUID & SOLID AEROSOL (SUBROUTINE CALCH2A)\nC 2. NH4NO3(s) NOT POSSIBLE, AND RH < MDRH. SOLID AEROSOL ONLY \nC 3. NH4NO3(s) NOT POSSIBLE, AND RH >= MDRH. (MDRH REGION)\nC\nC REGIMES 2. AND 3. ARE CONSIDERED TO BE THE SAME AS CASES H1A, H2B\nC RESPECTIVELY (BECAUSE MDRH POINTS COINCIDE).\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCH2\n INCLUDE 'isrpia.inc'\n EXTERNAL CALCH1A, CALCH3\nC\nC *** REGIME DEPENDS ON THE EXISTANCE OF NITRATES ***********************\nC\n IF (W(4).GT.TINY) THEN ! NO3 EXISTS, WATER POSSIBLE\n SCASE = 'H2 ; SUBCASE 1' \n CALL CALCH2A \n SCASE = 'H2 ; SUBCASE 1' \n ELSE ! NO3 NON EXISTANT, WATER NOT POSSIBLE\n SCASE = 'H2 ; SUBCASE 1' \n CALL CALCH1A\n SCASE = 'H2 ; SUBCASE 1' \n ENDIF\nC\n IF (WATER.LE.TINY .AND. RH.LT.DRMH2) THEN ! DRY AEROSOL\n SCASE = 'H2 ; SUBCASE 2' \nC\n ELSEIF (WATER.LE.TINY .AND. RH.GE.DRMH2) THEN ! MDRH OF H2\n SCASE = 'H2 ; SUBCASE 3'\n CALL CALCMDRH (RH, DRMH2, DRNANO3, CALCH1A, CALCH3)\n SCASE = 'H2 ; SUBCASE 3'\n ENDIF\nC \n RETURN\nC\nC *** END OF SUBROUTINE CALCH2 ******************************************\nC\n END\n\n\n\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCH2A\nC *** CASE H2 ; SUBCASE 1\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; SODIUM RICH (SODRAT >= 2.0)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : NH4CL, NA2SO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCH2A\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n CALAOU = .TRUE. \n CHI1 = W(2) ! CNA2SO4\n CHI2 = ZERO ! CNH42S4\n CHI3 = ZERO ! CNH4CL\n FRNA = MAX (W(1)-2.D0*CHI1, ZERO) \n CHI8 = MIN (FRNA, W(4)) ! CNANO3\n CHI4 = W(3) ! NH3(g)\n CHI5 = MAX (W(4)-CHI8, ZERO) ! HNO3(g)\n CHI7 = MIN (MAX(FRNA-CHI8, ZERO), W(5)) ! CNACL\n CHI6 = MAX (W(5)-CHI7, ZERO) ! HCL(g)\nC\n PSI6LO = TINY \n PSI6HI = CHI6-TINY ! MIN(CHI6-TINY, CHI4)\nC\nC *** INITIAL VALUES FOR BISECTION ************************************\nC\n X1 = PSI6LO\n Y1 = FUNCH2A (X1)\n IF (ABS(Y1).LE.EPS .OR. CHI6.LE.TINY) GOTO 50 \nC\nC *** ROOT TRACKING ; FOR THE RANGE OF HI AND LO **********************\nC\n DX = (PSI6HI-PSI6LO)/FLOAT(NDIV)\n DO 10 I=1,NDIV\n X2 = X1+DX \n Y2 = FUNCH2A (X2)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y2).LT.ZERO) GOTO 20 ! (Y1*Y2.LT.ZERO)\n X1 = X2\n Y1 = Y2\n10 CONTINUE\nC\nC *** NO SUBDIVISION WITH SOLUTION; IF ABS(Y2) 2.0) ; SODIUM RICH (SODRAT >= 2.0)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : (NH4)2SO4, NH4CL, NA2SO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n DOUBLE PRECISION FUNCTION FUNCH2A (X)\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n PSI6 = X\n PSI1 = CHI1\n PSI2 = ZERO\n PSI3 = ZERO\n PSI7 = CHI7\n PSI8 = CHI8 \n FRST = .TRUE.\n CALAIN = .TRUE. \nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A1 = XK5 *(WATER/GAMA(2))**3.0\n A4 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2.0\n A5 = XK4 *R*TEMP*(WATER/GAMA(10))**2.0\n A6 = XK3 *R*TEMP*(WATER/GAMA(11))**2.0\n A7 = XK8 *(WATER/GAMA(1))**2.0\n A8 = XK9 *(WATER/GAMA(3))**2.0\n A64 = (XK3*XK2/XKW)*(GAMA(10)/GAMA(5)/GAMA(11))**2.0\n A64 = A64*(R*TEMP*WATER)**2.0\n A9 = XK1*WATER/GAMA(7)*(GAMA(8)/GAMA(7))**2.\nC\nC CALCULATE DISSOCIATION QUANTITIES\nC\n PSI5 = CHI5*(PSI6+PSI7) - A6/A5*PSI8*(CHI6-PSI6-PSI3)\n PSI5 = PSI5/(A6/A5*(CHI6-PSI6-PSI3) + PSI6 + PSI7)\n PSI5 = MAX(PSI5, TINY)\nC\n IF (W(3).GT.TINY .AND. WATER.GT.TINY) THEN ! First try 3rd order soln\n BB =-(CHI4 + PSI6 + PSI5 + 1.d0/A4)\n CC = CHI4*(PSI5+PSI6)\n DD = BB*BB-4.d0*CC\n PSI4 =0.5d0*(-BB - SQRT(DD))\n PSI4 = MIN(PSI4,CHI4)\n ELSE\n PSI4 = TINY\n ENDIF\nC\n IF (CHI7.GT.TINY .AND. WATER.GT.TINY) THEN ! NACL DISSOLUTION\n DIAK = (PSI8-PSI6)**2.D0 + 4.D0*A7\n PSI7 = 0.5D0*( -(PSI8+PSI6) + SQRT(DIAK) )\n PSI7 = MAX(MIN(PSI7, CHI7), ZERO)\n ENDIF\nC\n IF (CHI8.GT.TINY .AND. WATER.GT.TINY) THEN ! NANO3 DISSOLUTION\n DIAK = (PSI7-PSI5)**2.D0 + 4.D0*A8\n PSI8 = 0.5D0*( -(PSI7+PSI5) + SQRT(DIAK) )\n PSI8 = MAX(MIN(PSI8, CHI8), ZERO)\n ENDIF\nC\n IF (CHI1.GT.TINY .AND. WATER.GT.TINY) THEN ! NA2SO4 DISSOLUTION\n AA = PSI7+PSI8\n BB = AA*AA\n CC =-A1/4.D0\n CALL POLY3 (AA, BB, CC, PSI1, ISLV)\n IF (ISLV.EQ.0) THEN\n PSI1 = MIN (PSI1, CHI1)\n ELSE\n PSI1 = ZERO\n ENDIF\n ENDIF\nC\nC *** CALCULATE SPECIATION ********************************************\nC\n MOLAL (2) = PSI8 + PSI7 + 2.D0*PSI1 ! NAI\n MOLAL (3) = PSI4 ! NH4I\n MOLAL (4) = PSI6 + PSI7 ! CLI\n MOLAL (5) = PSI2 + PSI1 ! SO4I\n MOLAL (6) = ZERO ! HSO4I\n MOLAL (7) = PSI5 + PSI8 ! NO3I\nC\n SMIN = 2.d0*MOLAL(5)+MOLAL(7)+MOLAL(4)-MOLAL(2)-MOLAL(3)\n CALL CALCPH (SMIN, HI, OHI)\n MOLAL (1) = HI\nC \n GNH3 = MAX(CHI4 - PSI4, TINY)\n GHNO3 = MAX(CHI5 - PSI5, TINY)\n GHCL = MAX(CHI6 - PSI6, TINY)\nC\n CNH42S4 = ZERO\n CNH4NO3 = ZERO\n CNACL = MAX(CHI7 - PSI7, ZERO)\n CNANO3 = MAX(CHI8 - PSI8, ZERO)\n CNA2SO4 = MAX(CHI1 - PSI1, ZERO) \nC \nC *** NH4Cl(s) calculations\nC\n A3 = XK6 /(R*TEMP*R*TEMP)\n DELT = MIN(GNH3, GHCL)\n BB = -(GNH3+GHCL)\n CC = GNH3*GHCL-A3\n DD = BB*BB - 4.D0*CC\n PSI31 = 0.5D0*(-BB + SQRT(DD))\n PSI32 = 0.5D0*(-BB - SQRT(DD))\n IF (DELT-PSI31.GT.ZERO .AND. PSI31.GT.ZERO) THEN\n PSI3 = PSI31\n ELSEIF (DELT-PSI32.GT.ZERO .AND. PSI32.GT.ZERO) THEN\n PSI3 = PSI32\n ELSE\n PSI3 = ZERO\n ENDIF\nC \nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n GNH3 = MAX(GNH3 - PSI3, TINY)\n GHCL = MAX(GHCL - PSI3, TINY)\n CNH4CL = PSI3\nC\n CALL CALCMR ! Water content\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT \n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nC\nC *** CALCULATE FUNCTION VALUE FOR OUTER LOOP ***************************\nC\n20 FUNCH2A = MOLAL(3)*MOLAL(4)/GHCL/GNH3/A64 - ONE\nC\n RETURN\nC\nC *** END OF FUNCTION FUNCH2A *******************************************\nC\n END\n\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCH1\nC *** CASE H1\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; SODIUM RICH (SODRAT >= 2.0)\nC 2. SOLID AEROSOL ONLY\nC 3. SOLIDS POSSIBLE : NH4NO3, NH4CL, NA2SO4\nC\nC THERE ARE TWO POSSIBLE REGIMES HERE, DEPENDING ON RELATIVE HUMIDITY:\nC 1. WHEN RH >= MDRH ; LIQUID PHASE POSSIBLE (MDRH REGION)\nC 2. WHEN RH < MDRH ; ONLY SOLID PHASE POSSIBLE (SUBROUTINE CALCH1A)\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCH1\n INCLUDE 'isrpia.inc'\n EXTERNAL CALCH1A, CALCH2A\nC\nC *** REGIME DEPENDS UPON THE AMBIENT RELATIVE HUMIDITY *****************\nC\n IF (RH.LT.DRMH1) THEN \n SCASE = 'H1 ; SUBCASE 1' \n CALL CALCH1A ! SOLID PHASE ONLY POSSIBLE\n SCASE = 'H1 ; SUBCASE 1'\n ELSE\n SCASE = 'H1 ; SUBCASE 2' ! LIQUID & SOLID PHASE POSSIBLE\n CALL CALCMDRH (RH, DRMH1, DRNH4NO3, CALCH1A, CALCH2A)\n SCASE = 'H1 ; SUBCASE 2'\n ENDIF\nC \n RETURN\nC\nC *** END OF SUBROUTINE CALCH1 ******************************************\nC\n END\n\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCH1A\nC *** CASE H1 ; SUBCASE 1\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; SODIUM RICH (SODRAT >= 2.0)\nC 2. SOLID AEROSOL ONLY\nC 3. SOLIDS POSSIBLE : NH4NO3, NH4CL, NANO3, NA2SO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCH1A\n INCLUDE 'isrpia.inc'\n DOUBLE PRECISION LAMDA, LAMDA1, LAMDA2, KAPA, KAPA1, KAPA2, NAFR,\n & NO3FR\nC\nC *** CALCULATE NON VOLATILE SOLIDS ***********************************\nC\n CNA2SO4 = W(2)\n CNH42S4 = ZERO\n NAFR = MAX (W(1)-2*CNA2SO4, ZERO)\n CNANO3 = MIN (NAFR, W(4))\n NO3FR = MAX (W(4)-CNANO3, ZERO)\n CNACL = MIN (MAX(NAFR-CNANO3, ZERO), W(5))\n CLFR = MAX (W(5)-CNACL, ZERO)\nC\nC *** CALCULATE VOLATILE SPECIES **************************************\nC\n ALF = W(3) ! FREE NH3\n BET = CLFR ! FREE CL\n GAM = NO3FR ! FREE NO3\nC\n RTSQ = R*TEMP*R*TEMP\n A1 = XK6/RTSQ\n A2 = XK10/RTSQ\nC\n THETA1 = GAM - BET*(A2/A1)\n THETA2 = A2/A1\nC\nC QUADRATIC EQUATION SOLUTION\nC\n BB = (THETA1-ALF-BET*(ONE+THETA2))/(ONE+THETA2)\n CC = (ALF*BET-A1-BET*THETA1)/(ONE+THETA2)\n DD = BB*BB - 4.0D0*CC\n IF (DD.LT.ZERO) GOTO 100 ! Solve each reaction seperately\nC\nC TWO ROOTS FOR KAPA, CHECK AND SEE IF ANY VALID\nC\n SQDD = SQRT(DD)\n KAPA1 = 0.5D0*(-BB+SQDD)\n KAPA2 = 0.5D0*(-BB-SQDD)\n LAMDA1 = THETA1 + THETA2*KAPA1\n LAMDA2 = THETA1 + THETA2*KAPA2\nC\n IF (KAPA1.GE.ZERO .AND. LAMDA1.GE.ZERO) THEN\n IF (ALF-KAPA1-LAMDA1.GE.ZERO .AND.\n & BET-KAPA1.GE.ZERO .AND. GAM-LAMDA1.GE.ZERO) THEN\n KAPA = KAPA1\n LAMDA= LAMDA1\n GOTO 200\n ENDIF\n ENDIF\nC\n IF (KAPA2.GE.ZERO .AND. LAMDA2.GE.ZERO) THEN\n IF (ALF-KAPA2-LAMDA2.GE.ZERO .AND. \n & BET-KAPA2.GE.ZERO .AND. GAM-LAMDA2.GE.ZERO) THEN\n KAPA = KAPA2\n LAMDA= LAMDA2\n GOTO 200\n ENDIF\n ENDIF\nC\nC SEPERATE SOLUTION OF NH4CL & NH4NO3 EQUILIBRIA \nC \n100 KAPA = ZERO\n LAMDA = ZERO\n DD1 = (ALF+BET)*(ALF+BET) - 4.0D0*(ALF*BET-A1)\n DD2 = (ALF+GAM)*(ALF+GAM) - 4.0D0*(ALF*GAM-A2)\nC\nC NH4CL EQUILIBRIUM\nC\n IF (DD1.GE.ZERO) THEN\n SQDD1 = SQRT(DD1)\n KAPA1 = 0.5D0*(ALF+BET + SQDD1)\n KAPA2 = 0.5D0*(ALF+BET - SQDD1)\nC\n IF (KAPA1.GE.ZERO .AND. KAPA1.LE.MIN(ALF,BET)) THEN\n KAPA = KAPA1 \n ELSE IF (KAPA2.GE.ZERO .AND. KAPA2.LE.MIN(ALF,BET)) THEN\n KAPA = KAPA2\n ELSE\n KAPA = ZERO\n ENDIF\n ENDIF\nC\nC NH4NO3 EQUILIBRIUM\nC\n IF (DD2.GE.ZERO) THEN\n SQDD2 = SQRT(DD2)\n LAMDA1= 0.5D0*(ALF+GAM + SQDD2)\n LAMDA2= 0.5D0*(ALF+GAM - SQDD2)\nC\n IF (LAMDA1.GE.ZERO .AND. LAMDA1.LE.MIN(ALF,GAM)) THEN\n LAMDA = LAMDA1 \n ELSE IF (LAMDA2.GE.ZERO .AND. LAMDA2.LE.MIN(ALF,GAM)) THEN\n LAMDA = LAMDA2\n ELSE\n LAMDA = ZERO\n ENDIF\n ENDIF\nC\nC IF BOTH KAPA, LAMDA ARE > 0, THEN APPLY EXISTANCE CRITERION\nC\n IF (KAPA.GT.ZERO .AND. LAMDA.GT.ZERO) THEN\n IF (BET .LT. LAMDA/THETA1) THEN\n KAPA = ZERO\n ELSE\n LAMDA= ZERO\n ENDIF\n ENDIF\nC\nC *** CALCULATE COMPOSITION OF VOLATILE SPECIES ***********************\nC\n200 CONTINUE\n CNH4NO3 = LAMDA\n CNH4CL = KAPA\nC\n GNH3 = ALF - KAPA - LAMDA\n GHNO3 = GAM - LAMDA\n GHCL = BET - KAPA\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCH1A *****************************************\nC\n END\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCI6\nC *** CASE I6\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE RICH, NO FREE ACID (1.0 <= SULRAT < 2.0)\nC 2. SOLID & LIQUID AEROSOL POSSIBLE\nC 3. SOLIDS POSSIBLE : (NH4)2SO4, NA2SO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCI6\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** FIND DRY COMPOSITION **********************************************\nC\n CALL CALCI1A\nC\nC *** SETUP PARAMETERS ************************************************\nC\n CHI1 = CNH4HS4 ! Save from CALCI1 run\n CHI2 = CLC \n CHI3 = CNAHSO4\n CHI4 = CNA2SO4\n CHI5 = CNH42S4\nC\n PSI1 = CNH4HS4 ! ASSIGN INITIAL PSI's\n PSI2 = CLC \n PSI3 = CNAHSO4\n PSI4 = CNA2SO4\n PSI5 = CNH42S4\nC\n CALAOU = .TRUE. ! Outer loop activity calculation flag\n FRST = .TRUE.\n CALAIN = .TRUE.\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A6 = XK1 *WATER/GAMA(7)*(GAMA(8)/GAMA(7))**2.\nC\nC CALCULATE DISSOCIATION QUANTITIES\nC\n BB = PSI2 + PSI4 + PSI5 + A6 ! PSI6\n CC =-A6*(PSI2 + PSI3 + PSI1)\n DD = BB*BB - 4.D0*CC\n PSI6 = 0.5D0*(-BB + SQRT(DD))\nC\nC *** CALCULATE SPECIATION ********************************************\nC\n MOLAL (1) = PSI6 ! HI\n MOLAL (2) = 2.D0*PSI4 + PSI3 ! NAI\n MOLAL (3) = 3.D0*PSI2 + 2.D0*PSI5 + PSI1 ! NH4I\n MOLAL (5) = PSI2 + PSI4 + PSI5 + PSI6 ! SO4I\n MOLAL (6) = PSI2 + PSI3 + PSI1 - PSI6 ! HSO4I\n CLC = ZERO\n CNAHSO4 = ZERO\n CNA2SO4 = CHI4 - PSI4\n CNH42S4 = ZERO\n CNH4HS4 = ZERO\n CALL CALCMR ! Water content\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT \n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nC \n20 RETURN\nC\nC *** END OF SUBROUTINE CALCI6 *****************************************\nC\n END\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCI5\nC *** CASE I5\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE RICH, NO FREE ACID (1.0 <= SULRAT < 2.0)\nC 2. SOLID & LIQUID AEROSOL POSSIBLE\nC 3. SOLIDS POSSIBLE : (NH4)2SO4, NA2SO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCI5\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** FIND DRY COMPOSITION **********************************************\nC\n CALL CALCI1A\nC\nC *** SETUP PARAMETERS ************************************************\nC\n CHI1 = CNH4HS4 ! Save from CALCI1 run\n CHI2 = CLC \n CHI3 = CNAHSO4\n CHI4 = CNA2SO4\n CHI5 = CNH42S4\nC\n PSI1 = CNH4HS4 ! ASSIGN INITIAL PSI's\n PSI2 = CLC \n PSI3 = CNAHSO4\n PSI4 = ZERO\n PSI5 = CNH42S4\nC\n CALAOU =.TRUE. ! Outer loop activity calculation flag\n PSI4LO = ZERO ! Low limit\n PSI4HI = CHI4 ! High limit\nC \nC *** IF NA2SO4(S) =0, CALL FUNCI5B FOR Y4=0 ***************************\nC\n IF (CHI4.LE.TINY) THEN\n Y1 = FUNCI5A (ZERO)\n GOTO 50\n ENDIF\nC\nC *** INITIAL VALUES FOR BISECTION ************************************\nC\n X1 = PSI4HI\n Y1 = FUNCI5A (X1)\n YHI= Y1 ! Save Y-value at HI position\nC\nC *** YHI < 0.0 THE SOLUTION IS ALWAYS UNDERSATURATED WITH NA2SO4 **\nC\n IF (ABS(Y1).LE.EPS .OR. YHI.LT.ZERO) GOTO 50\nC\nC *** ROOT TRACKING ; FOR THE RANGE OF HI AND LO **********************\nC\n DX = (PSI4HI-PSI4LO)/FLOAT(NDIV)\n DO 10 I=1,NDIV\n X2 = X1-DX\n Y2 = FUNCI5A (X2)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y2).LT.ZERO) GOTO 20 ! (Y1*Y2.LT.ZERO)\n X1 = X2\n Y1 = Y2\n10 CONTINUE\nC\nC *** { YLO, YHI } > 0.0 THE SOLUTION IS ALWAYS SUPERSATURATED WITH NH4CL \nC\n YLO= Y1 ! Save Y-value at Hi position\n IF (YLO.GT.ZERO .AND. YHI.GT.ZERO) THEN\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y3 = FUNCI5A (ZERO)\n GOTO 50\n ELSE IF (ABS(Y2) .LT. EPS) THEN ! X2 IS A SOLUTION \n GOTO 50\n ELSE\n CALL PUSHERR (0001, 'CALCI5') ! WARNING ERROR: NO SOLUTION\n GOTO 50\n ENDIF\nC\nC *** PERFORM BISECTION ***********************************************\nC\n20 DO 30 I=1,MAXIT\n X3 = 0.5*(X1+X2)\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y3 = FUNCI5A (X3)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y3) .LE. ZERO) THEN ! (Y1*Y3 .LE. ZERO)\n Y2 = Y3\n X2 = X3\n ELSE\n Y1 = Y3\n X1 = X3\n ENDIF\n IF (ABS(X2-X1) .LE. EPS*X1) GOTO 40\n30 CONTINUE\n CALL PUSHERR (0002, 'CALCI5') ! WARNING ERROR: NO CONVERGENCE\nC\nC *** CONVERGED ; RETURN **********************************************\nC\n40 X3 = 0.5*(X1+X2)\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y3 = FUNCI5A (X3)\nC \n50 RETURN\n\nC *** END OF SUBROUTINE CALCI5 *****************************************\nC\n END\n\n\n\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE FUNCI5A\nC *** CASE I5\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE RICH, NO FREE ACID (1.0 <= SULRAT < 2.0)\nC 2. SOLID & LIQUID AEROSOL POSSIBLE\nC 3. SOLIDS POSSIBLE : NA2SO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n DOUBLE PRECISION FUNCTION FUNCI5A (P4)\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n PSI4 = P4 ! PSI3 already assigned in FUNCI5A\n FRST = .TRUE.\n CALAIN = .TRUE.\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A4 = XK5 *(WATER/GAMA(2))**3.0\n A5 = XK7 *(WATER/GAMA(4))**3.0\n A6 = XK1 *WATER/GAMA(7)*(GAMA(8)/GAMA(7))**2.\nC\nC CALCULATE DISSOCIATION QUANTITIES\nC\n BB = PSI2 + PSI4 + PSI5 + A6 ! PSI6\n CC =-A6*(PSI2 + PSI3 + PSI1)\n DD = BB*BB - 4.D0*CC\n PSI6 = 0.5D0*(-BB + SQRT(DD))\nC\nC *** CALCULATE SPECIATION ********************************************\nC\n MOLAL (1) = PSI6 ! HI\n MOLAL (2) = 2.D0*PSI4 + PSI3 ! NAI\n MOLAL (3) = 3.D0*PSI2 + 2.D0*PSI5 + PSI1 ! NH4I\n MOLAL (5) = PSI2 + PSI4 + PSI5 + PSI6 ! SO4I\n MOLAL (6) = PSI2 + PSI3 + PSI1 - PSI6 ! HSO4I\n CLC = ZERO\n CNAHSO4 = ZERO\n CNA2SO4 = CHI4 - PSI4\n CNH42S4 = ZERO\n CNH4HS4 = ZERO\n CALL CALCMR ! Water content\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT \n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nC\nC *** CALCULATE OBJECTIVE FUNCTION ************************************\nC\n20 A4 = XK5 *(WATER/GAMA(2))**3.0 \n FUNCI5A= MOLAL(5)*MOLAL(2)*MOLAL(2)/A4 - ONE\n RETURN\nC\nC *** END OF FUNCTION FUNCI5A ********************************************\nC\n END\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCI4\nC *** CASE I4\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE RICH, NO FREE ACID (1.0 <= SULRAT < 2.0)\nC 2. SOLID & LIQUID AEROSOL POSSIBLE\nC 3. SOLIDS POSSIBLE : (NH4)2SO4, NA2SO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCI4\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** FIND DRY COMPOSITION **********************************************\nC\n CALL CALCI1A\nC\nC *** SETUP PARAMETERS ************************************************\nC\n CHI1 = CNH4HS4 ! Save from CALCI1 run\n CHI2 = CLC \n CHI3 = CNAHSO4\n CHI4 = CNA2SO4\n CHI5 = CNH42S4\nC\n PSI1 = CNH4HS4 ! ASSIGN INITIAL PSI's\n PSI2 = CLC \n PSI3 = CNAHSO4\n PSI4 = ZERO \n PSI5 = ZERO\nC\n CALAOU = .TRUE. ! Outer loop activity calculation flag\n PSI4LO = ZERO ! Low limit\n PSI4HI = CHI4 ! High limit\nC \nC *** IF NA2SO4(S) =0, CALL FUNCI4B FOR Y4=0 ***************************\nC\n IF (CHI4.LE.TINY) THEN\n Y1 = FUNCI4A (ZERO)\n GOTO 50\n ENDIF\nC\nC *** INITIAL VALUES FOR BISECTION ************************************\nC\n X1 = PSI4HI\n Y1 = FUNCI4A (X1)\n YHI= Y1 ! Save Y-value at HI position\nC\nC *** YHI < 0.0 THE SOLUTION IS ALWAYS UNDERSATURATED WITH NA2SO4 **\nC\n IF (ABS(Y1).LE.EPS .OR. YHI.LT.ZERO) GOTO 50\nC\nC *** ROOT TRACKING ; FOR THE RANGE OF HI AND LO **********************\nC\n DX = (PSI4HI-PSI4LO)/FLOAT(NDIV)\n DO 10 I=1,NDIV\n X2 = X1-DX\n Y2 = FUNCI4A (X2)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y2).LT.ZERO) GOTO 20 ! (Y1*Y2.LT.ZERO)\n X1 = X2\n Y1 = Y2\n10 CONTINUE\nC\nC *** { YLO, YHI } > 0.0 THE SOLUTION IS ALWAYS SUPERSATURATED WITH NH4CL \nC\n YLO= Y1 ! Save Y-value at Hi position\n IF (YLO.GT.ZERO .AND. YHI.GT.ZERO) THEN\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y3 = FUNCI4A (ZERO)\n GOTO 50\n ELSE IF (ABS(Y2) .LT. EPS) THEN ! X2 IS A SOLUTION \n GOTO 50\n ELSE\n CALL PUSHERR (0001, 'CALCI4') ! WARNING ERROR: NO SOLUTION\n GOTO 50\n ENDIF\nC\nC *** PERFORM BISECTION ***********************************************\nC\n20 DO 30 I=1,MAXIT\n X3 = 0.5*(X1+X2)\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y3 = FUNCI4A (X3)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y3) .LE. ZERO) THEN ! (Y1*Y3 .LE. ZERO)\n Y2 = Y3\n X2 = X3\n ELSE\n Y1 = Y3\n X1 = X3\n ENDIF\n IF (ABS(X2-X1) .LE. EPS*X1) GOTO 40\n30 CONTINUE\n CALL PUSHERR (0002, 'CALCI4') ! WARNING ERROR: NO CONVERGENCE\nC\nC *** CONVERGED ; RETURN **********************************************\nC\n40 X3 = 0.5*(X1+X2)\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y3 = FUNCI4A (X3)\nC\n50 RETURN\n\nC *** END OF SUBROUTINE CALCI4 *****************************************\nC\n END\n\n\n\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE FUNCI4A\nC *** CASE I4\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE RICH, NO FREE ACID (1.0 <= SULRAT < 2.0)\nC 2. SOLID & LIQUID AEROSOL POSSIBLE\nC 3. SOLIDS POSSIBLE : (NH4)2SO4, NA2SO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n DOUBLE PRECISION FUNCTION FUNCI4A (P4)\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n PSI4 = P4 ! PSI3 already assigned in FUNCI4A\n FRST = .TRUE.\n CALAIN = .TRUE.\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A4 = XK5 *(WATER/GAMA(2))**3.0\n A5 = XK7 *(WATER/GAMA(4))**3.0\n A6 = XK1 *WATER/GAMA(7)*(GAMA(8)/GAMA(7))**2.\n A7 = SQRT(A4/A5)\nC\nC CALCULATE DISSOCIATION QUANTITIES\nC\n BB = PSI2 + PSI4 + PSI5 + A6 ! PSI6\n CC =-A6*(PSI2 + PSI3 + PSI1)\n DD = BB*BB - 4.D0*CC\n PSI6 = 0.5D0*(-BB + SQRT(DD))\nC\n PSI5 = (PSI3 + 2.D0*PSI4 - A7*(3.D0*PSI2 + PSI1))/2.D0/A7 \n PSI5 = MAX (MIN (PSI5, CHI5), ZERO)\nC\nC *** CALCULATE SPECIATION ********************************************\nC\n MOLAL (1) = PSI6 ! HI\n MOLAL (2) = 2.D0*PSI4 + PSI3 ! NAI\n MOLAL (3) = 3.D0*PSI2 + 2.D0*PSI5 + PSI1 ! NH4I\n MOLAL (5) = PSI2 + PSI4 + PSI5 + PSI6 ! SO4I\n MOLAL (6) = PSI2 + PSI3 + PSI1 - PSI6 ! HSO4I\n CLC = ZERO\n CNAHSO4 = ZERO\n CNA2SO4 = CHI4 - PSI4\n CNH42S4 = CHI5 - PSI5\n CNH4HS4 = ZERO\n CALL CALCMR ! Water content\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT \n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nC\nC *** CALCULATE OBJECTIVE FUNCTION ************************************\nC\n20 A4 = XK5 *(WATER/GAMA(2))**3.0 \n FUNCI4A= MOLAL(5)*MOLAL(2)*MOLAL(2)/A4 - ONE\n RETURN\nC\nC *** END OF FUNCTION FUNCI4A ********************************************\nC\n END\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCI3\nC *** CASE I3\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE RICH, NO FREE ACID (1.0 <= SULRAT < 2.0)\nC 2. SOLID & LIQUID AEROSOL POSSIBLE\nC 3. SOLIDS POSSIBLE : (NH4)2SO4, NA2SO4, NAHSO4, LC\nC\nC THERE ARE THREE REGIMES IN THIS CASE:\nC 1.(NA,NH4)HSO4(s) POSSIBLE. LIQUID & SOLID AEROSOL (SUBROUTINE CALCI3A)\nC 2.(NA,NH4)HSO4(s) NOT POSSIBLE, AND RH < MDRH. SOLID AEROSOL ONLY \nC 3.(NA,NH4)HSO4(s) NOT POSSIBLE, AND RH >= MDRH. SOLID & LIQUID AEROSOL \nC\nC REGIMES 2. AND 3. ARE CONSIDERED TO BE THE SAME AS CASES I1A, I2B\nC RESPECTIVELY\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCI3\n INCLUDE 'isrpia.inc'\n EXTERNAL CALCI1A, CALCI4\nC\nC *** FIND DRY COMPOSITION **********************************************\nC\n CALL CALCI1A\nC\nC *** REGIME DEPENDS UPON THE POSSIBLE SOLIDS & RH **********************\nC\n IF (CNH4HS4.GT.TINY .OR. CNAHSO4.GT.TINY) THEN\n SCASE = 'I3 ; SUBCASE 1' \n CALL CALCI3A ! FULL SOLUTION\n SCASE = 'I3 ; SUBCASE 1' \n ENDIF\nC\n IF (WATER.LE.TINY) THEN\n IF (RH.LT.DRMI3) THEN ! SOLID SOLUTION\n WATER = TINY\n DO 10 I=1,NIONS\n MOLAL(I) = ZERO\n10 CONTINUE\n CALL CALCI1A\n SCASE = 'I3 ; SUBCASE 2' \nC\n ELSEIF (RH.GE.DRMI3) THEN ! MDRH OF I3\n SCASE = 'I3 ; SUBCASE 3'\n CALL CALCMDRH (RH, DRMI3, DRLC, CALCI1A, CALCI4)\n SCASE = 'I3 ; SUBCASE 3'\n ENDIF\n ENDIF\nC \n RETURN\nC\nC *** END OF SUBROUTINE CALCI3 ******************************************\nC\n END\n\n\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCI3A\nC *** CASE I3 ; SUBCASE 1\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE RICH, NO FREE ACID (1.0 <= SULRAT < 2.0)\nC 2. SOLID & LIQUID AEROSOL POSSIBLE\nC 3. SOLIDS POSSIBLE : (NH4)2SO4, NA2SO4, LC\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCI3A\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** FIND DRY COMPOSITION **********************************************\nC\n CALL CALCI1A ! Needed when called from CALCMDRH\nC\nC *** SETUP PARAMETERS ************************************************\nC\n CHI1 = CNH4HS4 ! Save from CALCI1 run\n CHI2 = CLC \n CHI3 = CNAHSO4\n CHI4 = CNA2SO4\n CHI5 = CNH42S4\nC\n PSI1 = CNH4HS4 ! ASSIGN INITIAL PSI's\n PSI2 = ZERO \n PSI3 = CNAHSO4\n PSI4 = ZERO \n PSI5 = ZERO\nC\n CALAOU = .TRUE. ! Outer loop activity calculation flag\n PSI2LO = ZERO ! Low limit\n PSI2HI = CHI2 ! High limit\nC\nC *** INITIAL VALUES FOR BISECTION ************************************\nC\n X1 = PSI2HI\n Y1 = FUNCI3A (X1)\n YHI= Y1 ! Save Y-value at HI position\nC\nC *** YHI < 0.0 THE SOLUTION IS ALWAYS UNDERSATURATED WITH LC *********\nC\n IF (YHI.LT.EPS) GOTO 50\nC\nC *** ROOT TRACKING ; FOR THE RANGE OF HI AND LO **********************\nC\n DX = (PSI2HI-PSI2LO)/FLOAT(NDIV)\n DO 10 I=1,NDIV\n X2 = MAX(X1-DX, PSI2LO)\n Y2 = FUNCI3A (X2)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y2).LT.ZERO) GOTO 20 ! (Y1*Y2.LT.ZERO)\n X1 = X2\n Y1 = Y2\n10 CONTINUE\nC\nC *** { YLO, YHI } > 0.0 THE SOLUTION IS ALWAYS SUPERSATURATED WITH LC \nC\n IF (Y2.GT.EPS) THEN \n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y2 = FUNCI3A (ZERO)\n ENDIF\n GOTO 50\nC\nC *** PERFORM BISECTION ***********************************************\nC\n20 DO 30 I=1,MAXIT\n X3 = 0.5*(X1+X2)\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y3 = FUNCI3A (X3)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y3) .LE. ZERO) THEN ! (Y1*Y3 .LE. ZERO)\n Y2 = Y3\n X2 = X3\n ELSE\n Y1 = Y3\n X1 = X3\n ENDIF\n IF (ABS(X2-X1) .LE. EPS*X1) GOTO 40\n30 CONTINUE\n CALL PUSHERR (0002, 'CALCI3A') ! WARNING ERROR: NO CONVERGENCE\nC\nC *** CONVERGED ; RETURN **********************************************\nC\n40 X3 = 0.5*(X1+X2)\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y3 = FUNCI3A (X3)\nC \n50 RETURN\n\nC *** END OF SUBROUTINE CALCI3A *****************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE FUNCI3A\nC *** CASE I3 ; SUBCASE 1\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE RICH, NO FREE ACID (1.0 <= SULRAT < 2.0)\nC 2. SOLID & LIQUID AEROSOL POSSIBLE\nC 3. SOLIDS POSSIBLE : (NH4)2SO4, NA2SO4, LC\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n DOUBLE PRECISION FUNCTION FUNCI3A (P2)\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n PSI2 = P2 ! Save PSI2 in COMMON BLOCK\n PSI4LO = ZERO ! Low limit for PSI4\n PSI4HI = CHI4 ! High limit for PSI4\nC \nC *** IF NH3 =0, CALL FUNCI3B FOR Y4=0 ********************************\nC\n IF (CHI4.LE.TINY) THEN\n FUNCI3A = FUNCI3B (ZERO)\n GOTO 50\n ENDIF\nC\nC *** INITIAL VALUES FOR BISECTION ************************************\nC\n X1 = PSI4HI\n Y1 = FUNCI3B (X1)\n IF (ABS(Y1).LE.EPS) GOTO 50\n YHI= Y1 ! Save Y-value at HI position\nC\nC *** YHI < 0.0 THE SOLUTION IS ALWAYS UNDERSATURATED WITH NA2SO4 *****\nC\n IF (YHI.LT.ZERO) GOTO 50\nC\nC *** ROOT TRACKING ; FOR THE RANGE OF HI AND LO **********************\nC\n DX = (PSI4HI-PSI4LO)/FLOAT(NDIV)\n DO 10 I=1,NDIV\n X2 = MAX(X1-DX, PSI4LO)\n Y2 = FUNCI3B (X2)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y2).LT.ZERO) GOTO 20 ! (Y1*Y2.LT.ZERO)\n X1 = X2\n Y1 = Y2\n10 CONTINUE\nC\nC *** { YLO, YHI } > 0.0 THE SOLUTION IS ALWAYS SUPERSATURATED WITH NA2SO4\nC\n IF (Y2.GT.EPS) THEN\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y2 = FUNCI3B (PSI4LO)\n ENDIF\n GOTO 50\nC\nC *** PERFORM BISECTION ***********************************************\nC\n20 DO 30 I=1,MAXIT\n X3 = 0.5*(X1+X2)\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y3 = FUNCI3B (X3)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y3) .LE. ZERO) THEN ! (Y1*Y3 .LE. ZERO)\n Y2 = Y3\n X2 = X3\n ELSE\n Y1 = Y3\n X1 = X3\n ENDIF\n IF (ABS(X2-X1) .LE. EPS*X1) GOTO 40\n30 CONTINUE\n CALL PUSHERR (0004, 'FUNCI3A') ! WARNING ERROR: NO CONVERGENCE\nC\nC *** INNER LOOP CONVERGED **********************************************\nC\n40 X3 = 0.5*(X1+X2)\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y3 = FUNCI3B (X3)\nC\nC *** CALCULATE FUNCTION VALUE FOR OUTER LOOP ***************************\nC\n50 A2 = XK13*(WATER/GAMA(13))**5.0\n FUNCI3A = MOLAL(5)*MOLAL(6)*MOLAL(3)**3.D0/A2 - ONE\n RETURN\nC\nC *** END OF FUNCTION FUNCI3A *******************************************\nC\n END\n\n\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** FUNCTION FUNCI3B\nC *** CASE I3 ; SUBCASE 2\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE RICH, NO FREE ACID (1.0 <= SULRAT < 2.0)\nC 2. SOLID & LIQUID AEROSOL POSSIBLE\nC 3. SOLIDS POSSIBLE : (NH4)2SO4, NA2SO4, LC\nC\nC SOLUTION IS SAVED IN COMMON BLOCK /CASE/\nC\nC=======================================================================\nC\n DOUBLE PRECISION FUNCTION FUNCI3B (P4)\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n PSI4 = P4 \nC\nC *** SETUP PARAMETERS ************************************************\nC\n FRST = .TRUE.\n CALAIN = .TRUE.\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A4 = XK5*(WATER/GAMA(2))**3.0\n A5 = XK7*(WATER/GAMA(4))**3.0\n A6 = XK1*WATER/GAMA(7)*(GAMA(8)/GAMA(7))**2.\n A7 = SQRT(A4/A5)\nC\nC CALCULATE DISSOCIATION QUANTITIES\nC\n BB = PSI2 + PSI4 + PSI5 + A6 ! PSI6\n CC =-A6*(PSI2 + PSI3 + PSI1)\n DD = BB*BB - 4.D0*CC\n PSI6 = 0.5D0*(-BB + SQRT(DD))\nC\n PSI5 = (PSI3 + 2.D0*PSI4 - A7*(3.D0*PSI2 + PSI1))/2.D0/A7 \n PSI5 = MAX (MIN (PSI5, CHI5), ZERO)\nC\nC *** CALCULATE SPECIATION ********************************************\nC\n MOLAL(1) = PSI6 ! HI\n MOLAL(2) = 2.D0*PSI4 + PSI3 ! NAI\n MOLAL(3) = 3.D0*PSI2 + 2.D0*PSI5 + PSI1 ! NH4I\n MOLAL(5) = PSI2 + PSI4 + PSI5 + PSI6 ! SO4I\n MOLAL(6) = MAX(PSI2 + PSI3 + PSI1 - PSI6, TINY) ! HSO4I\n CLC = MAX(CHI2 - PSI2, ZERO)\n CNAHSO4 = ZERO\n CNA2SO4 = MAX(CHI4 - PSI4, ZERO)\n CNH42S4 = MAX(CHI5 - PSI5, ZERO)\n CNH4HS4 = ZERO\n CALL CALCMR ! Water content\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT \n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nC\nC *** CALCULATE OBJECTIVE FUNCTION ************************************\nC\n20 A4 = XK5 *(WATER/GAMA(2))**3.0 \n FUNCI3B= MOLAL(5)*MOLAL(2)*MOLAL(2)/A4 - ONE\n RETURN\nC\nC *** END OF FUNCTION FUNCI3B ********************************************\nC\n END\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCI2\nC *** CASE I2\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE RICH, NO FREE ACID (1.0 <= SULRAT < 2.0)\nC 2. SOLID & LIQUID AEROSOL POSSIBLE\nC 3. SOLIDS POSSIBLE : (NH4)2SO4, NA2SO4, NAHSO4, LC\nC\nC THERE ARE THREE REGIMES IN THIS CASE:\nC 1. NH4HSO4(s) POSSIBLE. LIQUID & SOLID AEROSOL (SUBROUTINE CALCI2A)\nC 2. NH4HSO4(s) NOT POSSIBLE, AND RH < MDRH. SOLID AEROSOL ONLY \nC 3. NH4HSO4(s) NOT POSSIBLE, AND RH >= MDRH. SOLID & LIQUID AEROSOL \nC\nC REGIMES 2. AND 3. ARE CONSIDERED TO BE THE SAME AS CASES I1A, I2B\nC RESPECTIVELY\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCI2\n INCLUDE 'isrpia.inc'\n EXTERNAL CALCI1A, CALCI3A\nC\nC *** FIND DRY COMPOSITION **********************************************\nC\n CALL CALCI1A\nC\nC *** REGIME DEPENDS UPON THE POSSIBLE SOLIDS & RH **********************\nC\n IF (CNH4HS4.GT.TINY) THEN\n SCASE = 'I2 ; SUBCASE 1' \n CALL CALCI2A \n SCASE = 'I2 ; SUBCASE 1' \n ENDIF\nC\n IF (WATER.LE.TINY) THEN\n IF (RH.LT.DRMI2) THEN ! SOLID SOLUTION ONLY\n WATER = TINY\n DO 10 I=1,NIONS\n MOLAL(I) = ZERO\n10 CONTINUE\n CALL CALCI1A\n SCASE = 'I2 ; SUBCASE 2' \nC\n ELSEIF (RH.GE.DRMI2) THEN ! MDRH OF I2\n SCASE = 'I2 ; SUBCASE 3'\n CALL CALCMDRH (RH, DRMI2, DRNAHSO4, CALCI1A, CALCI3A)\n SCASE = 'I2 ; SUBCASE 3'\n ENDIF\n ENDIF\nC \n RETURN\nC\nC *** END OF SUBROUTINE CALCI2 ******************************************\nC\n END\n\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCI2A\nC *** CASE I2 ; SUBCASE A\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE RICH, NO FREE ACID (1.0 <= SULRAT < 2.0)\nC 2. SOLID & LIQUID AEROSOL POSSIBLE\nC 3. SOLIDS POSSIBLE : (NH4)2SO4, NA2SO4, NAHSO4, LC\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCI2A\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** FIND DRY COMPOSITION **********************************************\nC\n CALL CALCI1A ! Needed when called from CALCMDRH\nC\nC *** SETUP PARAMETERS ************************************************\nC\n CHI1 = CNH4HS4 ! Save from CALCI1 run\n CHI2 = CLC \n CHI3 = CNAHSO4\n CHI4 = CNA2SO4\n CHI5 = CNH42S4\nC\n PSI1 = CNH4HS4 ! ASSIGN INITIAL PSI's\n PSI2 = ZERO \n PSI3 = ZERO \n PSI4 = ZERO \n PSI5 = ZERO\nC\n CALAOU = .TRUE. ! Outer loop activity calculation flag\n PSI2LO = ZERO ! Low limit\n PSI2HI = CHI2 ! High limit\nC\nC *** INITIAL VALUES FOR BISECTION ************************************\nC\n X1 = PSI2HI\n Y1 = FUNCI2A (X1)\n YHI= Y1 ! Save Y-value at HI position\nC\nC *** YHI < 0.0 THE SOLUTION IS ALWAYS UNDERSATURATED WITH LC *********\nC\n IF (YHI.LT.EPS) GOTO 50\nC\nC *** ROOT TRACKING ; FOR THE RANGE OF HI AND LO **********************\nC\n DX = (PSI2HI-PSI2LO)/FLOAT(NDIV)\n DO 10 I=1,NDIV\n X2 = MAX(X1-DX, PSI2LO)\n Y2 = FUNCI2A (X2)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y2).LT.ZERO) GOTO 20 ! (Y1*Y2.LT.ZERO)\n X1 = X2\n Y1 = Y2\n10 CONTINUE\nC\nC *** { YLO, YHI } > 0.0 THE SOLUTION IS ALWAYS SUPERSATURATED WITH LC \nC\n IF (Y2.GT.EPS) THEN\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y2 = FUNCI2A (ZERO)\n ENDIF\n GOTO 50\nC\nC *** PERFORM BISECTION ***********************************************\nC\n20 DO 30 I=1,MAXIT\n X3 = 0.5*(X1+X2)\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y3 = FUNCI2A (X3)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y3) .LE. ZERO) THEN ! (Y1*Y3 .LE. ZERO)\n Y2 = Y3\n X2 = X3\n ELSE\n Y1 = Y3\n X1 = X3\n ENDIF\n IF (ABS(X2-X1) .LE. EPS*X1) GOTO 40\n30 CONTINUE\n CALL PUSHERR (0002, 'CALCI2A') ! WARNING ERROR: NO CONVERGENCE\nC\nC *** CONVERGED ; RETURN **********************************************\nC\n40 X3 = 0.5*(X1+X2)\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y3 = FUNCI2A (X3)\nC\n50 RETURN\n\nC *** END OF SUBROUTINE CALCI2A *****************************************\nC\n END\n\n\n\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE FUNCI2A\nC *** CASE I2 ; SUBCASE 1\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE RICH, NO FREE ACID (1.0 <= SULRAT < 2.0)\nC 2. SOLID & LIQUID AEROSOL POSSIBLE\nC 3. SOLIDS POSSIBLE : (NH4)2SO4, NA2SO4, NAHSO4, LC\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n DOUBLE PRECISION FUNCTION FUNCI2A (P2)\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n FRST = .TRUE.\n CALAIN = .TRUE.\n PSI2 = P2 ! Save PSI2 in COMMON BLOCK\n PSI3 = CHI3\n PSI4 = CHI4\n PSI5 = CHI5\n PSI6 = ZERO\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A3 = XK11*(WATER/GAMA(12))**2.0\n A4 = XK5 *(WATER/GAMA(2))**3.0\n A5 = XK7 *(WATER/GAMA(4))**3.0\n A6 = XK1 *WATER/GAMA(7)*(GAMA(8)/GAMA(7))**2.\n A7 = SQRT(A4/A5)\nC\nC CALCULATE DISSOCIATION QUANTITIES\nC\n IF (CHI5.GT.TINY .AND. WATER.GT.TINY) THEN \n PSI5 = (PSI3 + 2.D0*PSI4 - A7*(3.D0*PSI2 + PSI1))/2.D0/A7 \n PSI5 = MAX(MIN (PSI5, CHI5), TINY)\n ENDIF\nC\n IF (CHI4.GT.TINY .AND. WATER.GT.TINY) THEN \n AA = PSI2+PSI5+PSI6+PSI3\n BB = PSI3*AA\n CC = 0.25D0*(PSI3*PSI3*(PSI2+PSI5+PSI6)-A4)\n CALL POLY3 (AA, BB, CC, PSI4, ISLV)\n IF (ISLV.EQ.0) THEN\n PSI4 = MIN (PSI4, CHI4)\n ELSE\n PSI4 = ZERO\n ENDIF\n ENDIF\nC\n IF (CHI3.GT.TINY .AND. WATER.GT.TINY) THEN \n AA = 2.D0*PSI4 + PSI2 + PSI1 - PSI6\n BB = 2.D0*PSI4*(PSI2 + PSI1 - PSI6) - A3\n CC = ZERO\n CALL POLY3 (AA, BB, CC, PSI3, ISLV)\n IF (ISLV.EQ.0) THEN\n PSI3 = MIN (PSI3, CHI3)\n ELSE\n PSI3 = ZERO\n ENDIF\n ENDIF\nC\n BB = PSI2 + PSI4 + PSI5 + A6 ! PSI6\n CC =-A6*(PSI2 + PSI3 + PSI1)\n DD = BB*BB - 4.D0*CC\n PSI6 = 0.5D0*(-BB + SQRT(DD))\nC\nC *** CALCULATE SPECIATION ********************************************\nC\n MOLAL (1) = PSI6 ! HI\n MOLAL (2) = 2.D0*PSI4 + PSI3 ! NAI\n MOLAL (3) = 3.D0*PSI2 + 2.D0*PSI5 + PSI1 ! NH4I\n MOLAL (5) = PSI2 + PSI4 + PSI5 + PSI6 ! SO4I\n MOLAL (6) = PSI2 + PSI3 + PSI1 - PSI6 ! HSO4I\n CLC = CHI2 - PSI2\n CNAHSO4 = CHI3 - PSI3\n CNA2SO4 = CHI4 - PSI4\n CNH42S4 = CHI5 - PSI5\n CNH4HS4 = ZERO\n CALL CALCMR ! Water content\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT \n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nC\nC *** CALCULATE FUNCTION VALUE FOR OUTER LOOP ***************************\nC\n20 A2 = XK13*(WATER/GAMA(13))**5.0\n FUNCI2A = MOLAL(5)*MOLAL(6)*MOLAL(3)**3.D0/A2 - ONE\n RETURN\nC\nC *** END OF FUNCTION FUNCI2A *******************************************\nC\n END\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCI1\nC *** CASE I1\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE RICH, NO FREE ACID (1.0 <= SULRAT < 2.0)\nC 2. SOLID AEROSOL ONLY\nC 3. SOLIDS POSSIBLE : NH4NO3, NH4CL, NA2SO4\nC\nC THERE ARE TWO POSSIBLE REGIMES HERE, DEPENDING ON RELATIVE HUMIDITY:\nC 1. WHEN RH >= MDRH ; LIQUID PHASE POSSIBLE (MDRH REGION)\nC 2. WHEN RH < MDRH ; ONLY SOLID PHASE POSSIBLE (SUBROUTINE CALCI1A)\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCI1\n INCLUDE 'isrpia.inc'\n EXTERNAL CALCI1A, CALCI2A\nC\nC *** REGIME DEPENDS UPON THE AMBIENT RELATIVE HUMIDITY *****************\nC\n IF (RH.LT.DRMI1) THEN \n SCASE = 'I1 ; SUBCASE 1' \n CALL CALCI1A ! SOLID PHASE ONLY POSSIBLE\n SCASE = 'I1 ; SUBCASE 1'\n ELSE\n SCASE = 'I1 ; SUBCASE 2' ! LIQUID & SOLID PHASE POSSIBLE\n CALL CALCMDRH (RH, DRMI1, DRNH4HS4, CALCI1A, CALCI2A)\n SCASE = 'I1 ; SUBCASE 2'\n ENDIF\nC \nC *** AMMONIA IN GAS PHASE **********************************************\nC\nC CALL CALCNH3\nC \n RETURN\nC\nC *** END OF SUBROUTINE CALCI1 ******************************************\nC\n END\n\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCI1A\nC *** CASE I1 ; SUBCASE 1\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE RICH, NO FREE ACID (1.0 <= SULRAT < 2.0)\nC 2. SOLID AEROSOL ONLY\nC 3. SOLIDS POSSIBLE : NH4HSO4, NAHSO4, (NH4)2SO4, NA2SO4, LC\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCI1A\n INCLUDE 'isrpia.inc'\nC\nC *** CALCULATE NON VOLATILE SOLIDS ***********************************\nC\n CNA2SO4 = 0.5D0*W(1)\n CNH4HS4 = ZERO\n CNAHSO4 = ZERO\n CNH42S4 = ZERO\n FRSO4 = MAX(W(2)-CNA2SO4, ZERO)\nC\n CLC = MIN(W(3)/3.D0, FRSO4/2.D0)\n FRSO4 = MAX(FRSO4-2.D0*CLC, ZERO)\n FRNH4 = MAX(W(3)-3.D0*CLC, ZERO)\nC\n IF (FRSO4.LE.TINY) THEN\n CLC = MAX(CLC - FRNH4, ZERO)\n CNH42S4 = 2.D0*FRNH4\n\n ELSEIF (FRNH4.LE.TINY) THEN\n CNH4HS4 = 3.D0*MIN(FRSO4, CLC)\n CLC = MAX(CLC-FRSO4, ZERO)\n IF (CNA2SO4.GT.TINY) THEN\n FRSO4 = MAX(FRSO4-CNH4HS4/3.D0, ZERO)\n CNAHSO4 = 2.D0*FRSO4\n CNA2SO4 = MAX(CNA2SO4-FRSO4, ZERO)\n ENDIF\n ENDIF\nC\nC *** CALCULATE GAS SPECIES *********************************************\nC\n GHNO3 = W(4)\n GHCL = W(5)\n GNH3 = ZERO\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCI1A *****************************************\nC\n END\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCJ3\nC *** CASE J3\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE RICH, FREE ACID (SULRAT < 1.0)\nC 2. THERE IS ONLY A LIQUID PHASE\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCJ3\n INCLUDE 'isrpia.inc'\nC\n DOUBLE PRECISION LAMDA, KAPA\nC\nC *** SETUP PARAMETERS ************************************************\nC\n CALAOU = .TRUE. ! Outer loop activity calculation flag\n FRST = .TRUE.\n CALAIN = .TRUE.\nC\n LAMDA = MAX(W(2) - W(3) - W(1), TINY) ! FREE H2SO4\n CHI1 = W(1) ! NA TOTAL as NaHSO4\n CHI2 = W(3) ! NH4 TOTAL as NH4HSO4\n PSI1 = CHI1\n PSI2 = CHI2 ! ALL NH4HSO4 DELIQUESCED\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A3 = XK1 *WATER/GAMA(7)*(GAMA(8)/GAMA(7))**2.0\nC\nC CALCULATE DISSOCIATION QUANTITIES\nC\n BB = A3+LAMDA ! KAPA\n CC =-A3*(LAMDA + PSI1 + PSI2)\n DD = BB*BB-4.D0*CC\n KAPA = 0.5D0*(-BB+SQRT(DD))\nC\nC *** CALCULATE SPECIATION ********************************************\nC\n MOLAL (1) = LAMDA + KAPA ! HI\n MOLAL (2) = PSI1 ! NAI\n MOLAL (3) = PSI2 ! NH4I\n MOLAL (4) = ZERO ! CLI\n MOLAL (5) = KAPA ! SO4I\n MOLAL (6) = LAMDA + PSI1 + PSI2 - KAPA ! HSO4I\n MOLAL (7) = ZERO ! NO3I\nC\n CNAHSO4 = ZERO\n CNH4HS4 = ZERO\nC\n CALL CALCMR ! Water content\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT \n ELSE\n GOTO 50\n ENDIF\n10 CONTINUE\nC \n50 RETURN\nC\nC *** END OF SUBROUTINE CALCJ3 ******************************************\nC\n END\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCJ2\nC *** CASE J2\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE RICH, FREE ACID (SULRAT < 1.0)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : NAHSO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCJ2\n INCLUDE 'isrpia.inc'\nC\n DOUBLE PRECISION LAMDA, KAPA\n COMMON /CASEJ/ CHI1, CHI2, CHI3, LAMDA, KAPA, PSI1, PSI2, PSI3, \n & A1, A2, A3\nC\nC *** SETUP PARAMETERS ************************************************\nC\n CALAOU = .TRUE. ! Outer loop activity calculation flag\n CHI1 = W(1) ! NA TOTAL\n CHI2 = W(3) ! NH4 TOTAL\n PSI1LO = TINY ! Low limit\n PSI1HI = CHI1 ! High limit\nC\nC *** INITIAL VALUES FOR BISECTION ************************************\nC\n X1 = PSI1HI\n Y1 = FUNCJ2 (X1)\n YHI= Y1 ! Save Y-value at HI position\nC\nC *** YHI < 0.0 THE SOLUTION IS ALWAYS UNDERSATURATED WITH NH42SO4 ****\nC\n IF (ABS(Y1).LE.EPS .OR. YHI.LT.ZERO) GOTO 50\nC\nC *** ROOT TRACKING ; FOR THE RANGE OF HI AND LO **********************\nC\n DX = (PSI1HI-PSI1LO)/FLOAT(NDIV)\n DO 10 I=1,NDIV\n X2 = X1-DX\n Y2 = FUNCJ2 (X2)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y2).LT.ZERO) GOTO 20 ! (Y1*Y2.LT.ZERO)\n X1 = X2\n Y1 = Y2\n10 CONTINUE\nC\nC *** { YLO, YHI } > 0.0 THE SOLUTION IS ALWAYS SUPERSATURATED WITH NH42SO4\nC\n YLO= Y1 ! Save Y-value at Hi position\n IF (YLO.GT.ZERO .AND. YHI.GT.ZERO) THEN\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y3 = FUNCJ2 (ZERO)\n GOTO 50\n ELSE IF (ABS(Y2) .LT. EPS) THEN ! X2 IS A SOLUTION \n GOTO 50\n ELSE\n CALL PUSHERR (0001, 'CALCJ2') ! WARNING ERROR: NO SOLUTION\n GOTO 50\n ENDIF\nC\nC *** PERFORM BISECTION ***********************************************\nC\n20 DO 30 I=1,MAXIT\n X3 = 0.5*(X1+X2)\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y3 = FUNCJ2 (X3)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y3) .LE. ZERO) THEN ! (Y1*Y3 .LE. ZERO)\n Y2 = Y3\n X2 = X3\n ELSE\n Y1 = Y3\n X1 = X3\n ENDIF\n IF (ABS(X2-X1) .LE. EPS*X1) GOTO 40\n30 CONTINUE\n CALL PUSHERR (0002, 'CALCJ2') ! WARNING ERROR: NO CONVERGENCE\nC\nC *** CONVERGED ; RETURN **********************************************\nC\n40 X3 = 0.5*(X1+X2)\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y3 = FUNCJ2 (X3)\nC \n50 RETURN\nC\nC *** END OF SUBROUTINE CALCJ2 ******************************************\nC\n END\n\n\n\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE FUNCJ2\nC *** CASE J2\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE RICH, FREE ACID (SULRAT < 1.0)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : (NH4)2SO4, NH4CL, NA2SO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n DOUBLE PRECISION FUNCTION FUNCJ2 (P1)\n INCLUDE 'isrpia.inc'\nC\n DOUBLE PRECISION LAMDA, KAPA\n COMMON /CASEJ/ CHI1, CHI2, CHI3, LAMDA, KAPA, PSI1, PSI2, PSI3, \n & A1, A2, A3\nC\nC *** SETUP PARAMETERS ************************************************\nC\n FRST = .TRUE.\n CALAIN = .TRUE.\nC\n LAMDA = MAX(W(2) - W(3) - W(1), TINY) ! FREE H2SO4\n PSI1 = P1\n PSI2 = CHI2 ! ALL NH4HSO4 DELIQUESCED\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A1 = XK11 *(WATER/GAMA(12))**2.0\n A3 = XK1 *WATER/GAMA(7)*(GAMA(8)/GAMA(7))**2.0\nC\nC CALCULATE DISSOCIATION QUANTITIES\nC\n BB = A3+LAMDA ! KAPA\n CC =-A3*(LAMDA + PSI1 + PSI2)\n DD = BB*BB-4.D0*CC\n KAPA = 0.5D0*(-BB+SQRT(DD))\nC\nC *** CALCULATE SPECIATION ********************************************\nC\n MOLAL (1) = LAMDA + KAPA ! HI\n MOLAL (2) = PSI1 ! NAI\n MOLAL (3) = PSI2 ! NH4I\n MOLAL (4) = ZERO ! CLI\n MOLAL (5) = KAPA ! SO4I\n MOLAL (6) = LAMDA + PSI1 + PSI2 - KAPA ! HSO4I\n MOLAL (7) = ZERO ! NO3I\nC\n CNAHSO4 = MAX(CHI1-PSI1,ZERO)\n CNH4HS4 = ZERO\nC\n CALL CALCMR ! Water content\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT \n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nC\nC *** CALCULATE OBJECTIVE FUNCTION ************************************\nC\n20 FUNCJ2 = MOLAL(2)*MOLAL(6)/A1 - ONE\nC\nC *** END OF FUNCTION FUNCJ2 *******************************************\nC\n END\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCJ1\nC *** CASE J1\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE RICH, FREE ACID (SULRAT < 1.0)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : NH4HSO4, NAHSO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCJ1\n INCLUDE 'isrpia.inc'\nC\n DOUBLE PRECISION LAMDA, KAPA\n COMMON /CASEJ/ CHI1, CHI2, CHI3, LAMDA, KAPA, PSI1, PSI2, PSI3, \n & A1, A2, A3\nC\nC *** SETUP PARAMETERS ************************************************\nC\n CALAOU =.TRUE. ! Outer loop activity calculation flag\n CHI1 = W(1) ! Total NA initially as NaHSO4\n CHI2 = W(3) ! Total NH4 initially as NH4HSO4\nC\n PSI1LO = TINY ! Low limit\n PSI1HI = CHI1 ! High limit\nC\nC *** INITIAL VALUES FOR BISECTION ************************************\nC\n X1 = PSI1HI\n Y1 = FUNCJ1 (X1)\n YHI= Y1 ! Save Y-value at HI position\nC\nC *** YHI < 0.0 THE SOLUTION IS ALWAYS UNDERSATURATED WITH NH42SO4 ****\nC\n IF (ABS(Y1).LE.EPS .OR. YHI.LT.ZERO) GOTO 50\nC\nC *** ROOT TRACKING ; FOR THE RANGE OF HI AND LO **********************\nC\n DX = (PSI1HI-PSI1LO)/FLOAT(NDIV)\n DO 10 I=1,NDIV\n X2 = X1-DX\n Y2 = FUNCJ1 (X2)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y2).LT.ZERO) GOTO 20 ! (Y1*Y2.LT.ZERO)\n X1 = X2\n Y1 = Y2\n10 CONTINUE\nC\nC *** { YLO, YHI } > 0.0 THE SOLUTION IS ALWAYS SUPERSATURATED WITH NH42SO4\nC\n YLO= Y1 ! Save Y-value at Hi position\n IF (YLO.GT.ZERO .AND. YHI.GT.ZERO) THEN\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y3 = FUNCJ1 (ZERO)\n GOTO 50\n ELSE IF (ABS(Y2) .LT. EPS) THEN ! X2 IS A SOLUTION \n GOTO 50\n ELSE\n CALL PUSHERR (0001, 'CALCJ1') ! WARNING ERROR: NO SOLUTION\n GOTO 50\n ENDIF\nC\nC *** PERFORM BISECTION ***********************************************\nC\n20 DO 30 I=1,MAXIT\n X3 = 0.5*(X1+X2)\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y3 = FUNCJ1 (X3)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y3) .LE. ZERO) THEN ! (Y1*Y3 .LE. ZERO)\n Y2 = Y3\n X2 = X3\n ELSE\n Y1 = Y3\n X1 = X3\n ENDIF\n IF (ABS(X2-X1) .LE. EPS*X1) GOTO 40\n30 CONTINUE\n CALL PUSHERR (0002, 'CALCJ1') ! WARNING ERROR: NO CONVERGENCE\nC\nC *** CONVERGED ; RETURN **********************************************\nC\n40 X3 = 0.5*(X1+X2)\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y3 = FUNCJ1 (X3)\nC \n50 RETURN\nC\nC *** END OF SUBROUTINE CALCJ1 ******************************************\nC\n END\n\n\n\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE FUNCJ1\nC *** CASE J1\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE RICH, FREE ACID (SULRAT < 1.0)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : (NH4)2SO4, NH4CL, NA2SO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n DOUBLE PRECISION FUNCTION FUNCJ1 (P1)\n INCLUDE 'isrpia.inc'\n DOUBLE PRECISION LAMDA, KAPA\n COMMON /CASEJ/ CHI1, CHI2, CHI3, LAMDA, KAPA, PSI1, PSI2, PSI3, \n & A1, A2, A3\nC\nC *** SETUP PARAMETERS ************************************************\nC\n FRST = .TRUE.\n CALAIN = .TRUE.\nC\n LAMDA = MAX(W(2) - W(3) - W(1), TINY) ! FREE H2SO4\n PSI1 = P1\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A1 = XK11 *(WATER/GAMA(12))**2.0\n A2 = XK12 *(WATER/GAMA(09))**2.0\n A3 = XK1 *WATER/GAMA(7)*(GAMA(8)/GAMA(7))**2.0\nC\n PSI2 = 0.5*(-(LAMDA+PSI1) + SQRT((LAMDA+PSI1)**2.D0+4.D0*A2)) ! PSI2\n PSI2 = MIN (PSI2, CHI2)\nC\n BB = A3+LAMDA ! KAPA\n CC =-A3*(LAMDA + PSI2 + PSI1)\n DD = BB*BB-4.D0*CC\n KAPA = 0.5D0*(-BB+SQRT(DD)) \nC\nC *** SAVE CONCENTRATIONS IN MOLAL ARRAY ******************************\nC\n MOLAL (1) = LAMDA + KAPA ! HI\n MOLAL (2) = PSI1 ! NAI\n MOLAL (3) = PSI2 ! NH4I\n MOLAL (4) = ZERO\n MOLAL (5) = KAPA ! SO4I\n MOLAL (6) = LAMDA + PSI1 + PSI2 - KAPA ! HSO4I\n MOLAL (7) = ZERO\nC\n CNAHSO4 = MAX(CHI1-PSI1,ZERO)\n CNH4HS4 = MAX(CHI2-PSI2,ZERO)\nC\n CALL CALCMR ! Water content\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT \n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nC\nC *** CALCULATE OBJECTIVE FUNCTION ************************************\nC\n20 FUNCJ1 = MOLAL(2)*MOLAL(6)/A1 - ONE\nC\nC *** END OF FUNCTION FUNCJ1 *******************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCO7\nC *** CASE O7\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. (Rsulfate > 2.0 ; R(Cr+Na) < 2.0)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : CaSO4\nC 4. Completely dissolved: NH4NO3, NH4CL, (NH4)2SO4, MgSO4, NA2SO4, K2SO4\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCO7\n INCLUDE 'isrpia.inc'\nC\n DOUBLE PRECISION LAMDA\n COMMON /CASEO/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, LAMDA, PSI1, PSI2, PSI3, PSI4, PSI5,\n & PSI6, PSI7, PSI8, PSI9, A1, A2, A3, A4,\n & A5, A6, A7, A8, A9\nC\nC *** SETUP PARAMETERS ************************************************\nC\n CALAOU = .TRUE.\n CHI9 = MIN (W(6), W(2)) ! CCASO4\n SO4FR = MAX (W(2)-CHI9, ZERO)\n CAFR = MAX (W(6)-CHI9, ZERO)\n CHI7 = MIN (0.5D0*W(7), SO4FR) ! CK2SO4\n FRK = MAX (W(7) - 2.D0*CHI7, ZERO)\n SO4FR = MAX (SO4FR - CHI7, ZERO)\n CHI1 = MIN (0.5D0*W(1), SO4FR) ! NA2SO4\n NAFR = MAX (W(1) - 2.D0*CHI1, ZERO)\n SO4FR = MAX (SO4FR - CHI1, ZERO)\n CHI8 = MIN (W(8), SO4FR) ! CMGSO4\n FRMG = MAX(W(8) - CHI8, ZERO)\n SO4FR = MAX(SO4FR - CHI8, ZERO)\n CHI3 = ZERO\n CHI5 = W(4)\n CHI6 = W(5)\n CHI2 = MAX (SO4FR, ZERO)\n CHI4 = MAX (W(3)-2.D0*CHI2, ZERO)\nC\n PSI1 = CHI1\n PSI2 = CHI2\n PSI3 = ZERO\n PSI4 = ZERO\n PSI5 = ZERO\n PSI6 = ZERO\n PSI7 = CHI7\n PSI8 = CHI8\n PSI6LO = TINY\n PSI6HI = CHI6-TINY ! MIN(CHI6-TINY, CHI4)\nC\n WATER = CHI2/M0(4) + CHI1/M0(2) + CHI7/M0(17) + CHI8/M0(21)\n WATER = MAX (WATER , TINY)\nC\nC *** INITIAL VALUES FOR BISECTION ************************************\nC\n X1 = PSI6LO\n Y1 = FUNCO7 (X1)\n IF (CHI6.LE.TINY) GOTO 50\nccc IF (ABS(Y1).LE.EPS .OR. CHI6.LE.TINY) GOTO 50\nccc IF (WATER .LE. TINY) RETURN ! No water\nC\nC *** ROOT TRACKING ; FOR THE RANGE OF HI AND LO **********************\nC\n DX = (PSI6HI-PSI6LO)/FLOAT(NDIV)\n DO 10 I=1,NDIV\n X2 = X1+DX\n Y2 = FUNCO7 (X2)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y2).LT.ZERO) GOTO 20 ! (Y1*Y2.LT.ZERO)\n X1 = X2\n Y1 = Y2\n10 CONTINUE\nC\nC *** NO SUBDIVISION WITH SOLUTION; IF ABS(Y2) 2.0 ; R(Cr+Na) < 2.0)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : CaSO4\nC 4. Completely dissolved: NH4NO3, NH4CL, (NH4)2SO4, MgSO4, NA2SO4, K2SO4\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n DOUBLE PRECISION FUNCTION FUNCO7 (X)\n INCLUDE 'isrpia.inc'\nC\n DOUBLE PRECISION LAMDA\n COMMON /CASEO/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, LAMDA, PSI1, PSI2, PSI3, PSI4, PSI5,\n & PSI6, PSI7, PSI8, PSI9, A1, A2, A3, A4,\n & A5, A6, A7, A8, A9\nC\nC *** SETUP PARAMETERS ************************************************\nC\n PSI6 = X\n FRST = .TRUE.\n CALAIN = .TRUE.\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A4 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2.0\n A5 = XK4 *R*TEMP*(WATER/GAMA(10))**2.0\n A6 = XK3 *R*TEMP*(WATER/GAMA(11))**2.0\nC\nC\n IF (CHI5.GE.TINY) THEN\n PSI5 = PSI6*CHI5/(A6/A5*(CHI6-PSI6) + PSI6)\n PSI5 = MIN (PSI5,CHI5)\n ELSE\n PSI5 = TINY\n ENDIF\nC\nCCC IF(CHI4.GT.TINY) THEN\n IF(W(2).GT.TINY) THEN ! Accounts for NH3 evaporation\n BB =-(CHI4 + PSI6 + PSI5 + 1.d0/A4)\n CC = CHI4*(PSI5+PSI6) - 2.d0*PSI2/A4\n DD = MAX(BB*BB-4.d0*CC,ZERO) ! Patch proposed by Uma Shankar, 19/11/01\n PSI4 =0.5d0*(-BB - SQRT(DD))\n PSI4 = MAX (MIN (PSI4,CHI4), ZERO)\n ELSE\n PSI4 = TINY\n ENDIF\nC\nC *** SAVE CONCENTRATIONS IN MOLAL ARRAY ******************************\nC\n MOLAL (2) = 2.0D0*PSI1 ! Na+\n MOLAL (3) = 2.0D0*PSI2 + PSI4 ! NH4I\n MOLAL (4) = PSI6 ! CLI\n MOLAL (5) = PSI1+PSI2+PSI7+PSI8 ! SO4I\n MOLAL (6) = ZERO ! HSO4\n MOLAL (7) = PSI5 ! NO3I\n MOLAL (8) = ZERO ! CaI\n MOLAL (9) = 2.0D0*PSI7 ! KI\n MOLAL (10)= PSI8 ! Mg\nC\nC *** CALCULATE HSO4 SPECIATION AND RETURN *******************************\nC\nCCC MOLAL (1) = MAX(CHI5 - PSI5, TINY)*A5/PSI5 ! HI\n SMIN = 2.d0*MOLAL(5)+MOLAL(7)+MOLAL(4)-MOLAL(2)-MOLAL(3)\n & -MOLAL(9)-2.D0*MOLAL(10)\n CALL CALCPH (SMIN, HI, OHI)\n MOLAL (1) = HI\nC\nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n GNH3 = MAX(CHI4 - PSI4, TINY)\n GHNO3 = MAX(CHI5 - PSI5, TINY)\n GHCL = MAX(CHI6 - PSI6, TINY)\nC\n CNA2SO4 = ZERO\n CNH42S4 = ZERO\n CNH4NO3 = ZERO\n CNH4Cl = ZERO\n CK2SO4 = ZERO\n CMGSO4 = ZERO\n CCASO4 = CHI9\nC\nC *** CALCULATE MOLALR ARRAY, WATER AND ACTIVITIES **********************\nC\n CALL CALCMR\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nC\nC *** CALCULATE FUNCTION VALUE FOR OUTER LOOP ***************************\nC\n20 FUNCO7 = MOLAL(1)*MOLAL(4)/GHCL/A6 - ONE\nCCC FUNCG5A = MOLAL(3)*MOLAL(4)/GHCL/GNH3/A6/A4 - ONE\nC\n RETURN\nC\nC *** END OF FUNCTION FUNCO7 *******************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCO6\nC *** CASE O6\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. (Rsulfate > 2.0 ; R(Cr+Na) < 2.0)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : K2SO4, CASO4\nC 4. Completely dissolved: NH4NO3, NH4CL, (NH4)2SO4, MGSO4, NA2SO4\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCO6\n INCLUDE 'isrpia.inc'\nC\n DOUBLE PRECISION LAMDA\n COMMON /CASEO/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, LAMDA, PSI1, PSI2, PSI3, PSI4, PSI5,\n & PSI6, PSI7, PSI8, PSI9, A1, A2, A3, A4,\n & A5, A6, A7, A8, A9\nC\nC *** SETUP PARAMETERS ************************************************\nC\n CALAOU = .TRUE.\n CHI9 = MIN (W(6), W(2)) ! CCASO4\n SO4FR = MAX (W(2)-CHI9, ZERO)\n CAFR = MAX (W(6)-CHI9, ZERO)\n CHI7 = MIN (0.5D0*W(7), SO4FR) ! CK2SO4\n FRK = MAX (W(7) - 2.D0*CHI7, ZERO)\n SO4FR = MAX (SO4FR - CHI7, ZERO)\n CHI1 = MIN (0.5D0*W(1), SO4FR) ! NA2SO4\n NAFR = MAX (W(1) - 2.D0*CHI1, ZERO)\n SO4FR = MAX (SO4FR - CHI1, ZERO)\n CHI8 = MIN (W(8), SO4FR) ! CMGSO4\n FRMG = MAX(W(8) - CHI8, ZERO)\n SO4FR = MAX(SO4FR - CHI8, ZERO)\n CHI3 = ZERO\n CHI5 = W(4)\n CHI6 = W(5)\n CHI2 = MAX (SO4FR, ZERO)\n CHI4 = MAX (W(3)-2.D0*CHI2, ZERO)\nC\nC\n PSI1 = CHI1\n PSI2 = CHI2\n PSI3 = ZERO\n PSI7 = ZERO\n PSI8 = CHI8\n PSI6LO = TINY\n PSI6HI = CHI6-TINY ! MIN(CHI6-TINY, CHI4)\nC\n WATER = CHI2/M0(4) + CHI1/M0(2) + CHI7/M0(17) + CHI8/M0(21)\n WATER = MAX (WATER , TINY)\nC\nC *** INITIAL VALUES FOR BISECTION ************************************\nC\n X1 = PSI6LO\n Y1 = FUNCO6 (X1)\n IF (CHI6.LE.TINY) GOTO 50\nccc IF (ABS(Y1).LE.EPS .OR. CHI6.LE.TINY) GOTO 50\nccc IF (WATER .LE. TINY) RETURN ! No water\nC\nC *** ROOT TRACKING ; FOR THE RANGE OF HI AND LO **********************\nC\n DX = (PSI6HI-PSI6LO)/FLOAT(NDIV)\n DO 10 I=1,NDIV\n X2 = X1+DX\n Y2 = FUNCO6 (X2)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y2).LT.ZERO) GOTO 20 ! (Y1*Y2.LT.ZERO)\n X1 = X2\n Y1 = Y2\n10 CONTINUE\nC\nC *** NO SUBDIVISION WITH SOLUTION; IF ABS(Y2) 2.0 ; R(Cr+Na) < 2.0)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : CaSO4 , K2SO4\nC 4. Completely dissolved: NH4NO3, NH4CL, (NH4)2SO4, MgSO4, NA2SO4\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n DOUBLE PRECISION FUNCTION FUNCO6 (X)\n INCLUDE 'isrpia.inc'\nC\n DOUBLE PRECISION LAMDA\n COMMON /CASEO/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, LAMDA, PSI1, PSI2, PSI3, PSI4, PSI5,\n & PSI6, PSI7, PSI8, PSI9, A1, A2, A3, A4,\n & A5, A6, A7, A8, A9\nC\nC *** SETUP PARAMETERS ************************************************\nC\n PSI6 = X\n FRST = .TRUE.\n CALAIN = .TRUE.\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A4 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2.0\n A5 = XK4 *R*TEMP*(WATER/GAMA(10))**2.0\n A6 = XK3 *R*TEMP*(WATER/GAMA(11))**2.0\n A7 = XK17 *(WATER/GAMA(17))**3.0\nC\nC\n IF (CHI5.GE.TINY) THEN\n PSI5 = PSI6*CHI5/(A6/A5*(CHI6-PSI6) + PSI6)\n PSI5 = MIN (PSI5,CHI5)\n ELSE\n PSI5 = TINY\n ENDIF\nC\nCCC IF(CHI4.GT.TINY) THEN\n IF(W(2).GT.TINY) THEN ! Accounts for NH3 evaporation\n BB =-(CHI4 + PSI6 + PSI5 + 1.d0/A4)\n CC = CHI4*(PSI5+PSI6) - 2.d0*PSI2/A4\n DD = MAX(BB*BB-4.d0*CC,ZERO) ! Patch proposed by Uma Shankar, 19/11/01\n PSI4 =0.5d0*(-BB - SQRT(DD))\n PSI4 = MAX (MIN (PSI4,CHI4), ZERO)\n ELSE\n PSI4 = TINY\n ENDIF\nC\n IF (CHI7.GT.TINY .AND. WATER.GT.TINY) THEN ! PSI7\n CALL POLY3 (PSI1+PSI2+PSI8, ZERO, -A7/4.D0, PSI7, ISLV)\n IF (ISLV.EQ.0) THEN\n PSI7 = MAX (MIN (PSI7, CHI7), ZERO)\n ELSE\n PSI7 = ZERO\n ENDIF\n ELSE\n PSI7 = ZERO\n ENDIF\nC\nC\nC *** SAVE CONCENTRATIONS IN MOLAL ARRAY ******************************\nC\n MOLAL (2) = 2.0D0*PSI1 ! Na+\n MOLAL (3) = 2.0D0*PSI2 + PSI4 ! NH4I\n MOLAL (4) = PSI6 ! CLI\n MOLAL (5) = PSI1+PSI2+PSI7+PSI8 ! SO4I\n MOLAL (6) = ZERO ! HSO4\n MOLAL (7) = PSI5 ! NO3I\n MOLAL (8) = ZERO ! CaI\n MOLAL (9) = 2.0D0*PSI7 ! KI\n MOLAL (10)= PSI8 ! Mg\n\nC\nC *** CALCULATE HSO4 SPECIATION AND RETURN *******************************\n\nC\nCCC MOLAL (1) = MAX(CHI5 - PSI5, TINY)*A5/PSI5 ! HI\n SMIN = 2.d0*MOLAL(5)+MOLAL(7)+MOLAL(4)-MOLAL(2)-MOLAL(3)\n & -MOLAL(9)-2.D0*MOLAL(10)\n CALL CALCPH (SMIN, HI, OHI)\n MOLAL (1) = HI\nC\nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n GNH3 = MAX(CHI4 - PSI4, TINY)\n GHNO3 = MAX(CHI5 - PSI5, TINY)\n GHCL = MAX(CHI6 - PSI6, TINY)\nC\n CNA2SO4 = ZERO\n CNH42S4 = ZERO\n CNH4NO3 = ZERO\n CNH4Cl = ZERO\n CK2SO4 = MAX(CHI7 - PSI7, TINY)\n CMGSO4 = ZERO\n CCASO4 = CHI9\nC\nC *** CALCULATE MOLALR ARRAY, WATER AND ACTIVITIES **********************\nC\n CALL CALCMR\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nC\nC *** CALCULATE FUNCTION VALUE FOR OUTER LOOP ***************************\nC\n20 FUNCO6 = MOLAL(1)*MOLAL(4)/GHCL/A6 - ONE\nCCC FUNCG5A = MOLAL(3)*MOLAL(4)/GHCL/GNH3/A6/A4 - ONE\nC\n RETURN\nC\nC *** END OF FUNCTION FUNCO6 *******************************************\nC\n END\nC\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCO5\nC *** CASE O5\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. (Rsulfate > 2.0 ; R(Cr+Na) < 2.0)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : K2SO4, CASO4, NA2SO4\nC 4. Completely dissolved: NH4NO3, NH4CL, (NH4)2SO4, MGSO4\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCO5\n INCLUDE 'isrpia.inc'\nC\n DOUBLE PRECISION LAMDA\n COMMON /CASEO/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, LAMDA, PSI1, PSI2, PSI3, PSI4, PSI5,\n & PSI6, PSI7, PSI8, PSI9, A1, A2, A3, A4,\n & A5, A6, A7, A8, A9\nC\nC *** SETUP PARAMETERS ************************************************\nC\n CALAOU = .TRUE.\n CHI9 = MIN (W(6), W(2)) ! CCASO4\n SO4FR = MAX (W(2)-CHI9, ZERO)\n CAFR = MAX (W(6)-CHI9, ZERO)\n CHI7 = MIN (0.5D0*W(7), SO4FR) ! CK2SO4\n FRK = MAX (W(7) - 2.D0*CHI7, ZERO)\n SO4FR = MAX (SO4FR - CHI7, ZERO)\n CHI1 = MIN (0.5D0*W(1), SO4FR) ! NA2SO4\n NAFR = MAX (W(1) - 2.D0*CHI1, ZERO)\n SO4FR = MAX (SO4FR - CHI1, ZERO)\n CHI8 = MIN (W(8), SO4FR) ! CMGSO4\n FRMG = MAX(W(8) - CHI8, ZERO)\n SO4FR = MAX(SO4FR - CHI8, ZERO)\n CHI3 = ZERO\n CHI5 = W(4)\n CHI6 = W(5)\n CHI2 = MAX (SO4FR, ZERO)\n CHI4 = MAX (W(3)-2.D0*CHI2, ZERO)\nC\n PSI1 = ZERO\n PSI2 = CHI2\n PSI3 = ZERO\n PSI7 = ZERO\n PSI8 = CHI8\n PSI6LO = TINY\n PSI6HI = CHI6-TINY ! MIN(CHI6-TINY, CHI4)\nC\n WATER = CHI2/M0(4) + CHI1/M0(2) + CHI7/M0(17) + CHI8/M0(21)\n WATER = MAX (WATER , TINY)\nC\nC *** INITIAL VALUES FOR BISECTION ************************************\nC\n X1 = PSI6LO\n Y1 = FUNCO5 (X1)\n IF (CHI6.LE.TINY) GOTO 50\nccc IF (ABS(Y1).LE.EPS .OR. CHI6.LE.TINY) GOTO 50\nccc IF (WATER .LE. TINY) RETURN ! No water\nC\nC *** ROOT TRACKING ; FOR THE RANGE OF HI AND LO **********************\nC\n DX = (PSI6HI-PSI6LO)/FLOAT(NDIV)\n DO 10 I=1,NDIV\n X2 = X1+DX\n Y2 = FUNCO5 (X2)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y2).LT.ZERO) GOTO 20 ! (Y1*Y2.LT.ZERO)\n X1 = X2\n Y1 = Y2\n10 CONTINUE\nC\nC *** NO SUBDIVISION WITH SOLUTION; IF ABS(Y2) 2.0 ; R(Cr+Na) < 2.0)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : K2SO4, CASO4, NA2SO4\nC 4. Completely dissolved: NH4NO3, NH4CL, (NH4)2SO4, MGSO4\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n DOUBLE PRECISION FUNCTION FUNCO5 (X)\n INCLUDE 'isrpia.inc'\nC\n DOUBLE PRECISION LAMDA\n COMMON /CASEO/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, LAMDA, PSI1, PSI2, PSI3, PSI4, PSI5,\n & PSI6, PSI7, PSI8, PSI9, A1, A2, A3, A4,\n & A5, A6, A7, A8, A9\nC\nC *** SETUP PARAMETERS ************************************************\nC\n PSI6 = X\n FRST = .TRUE.\n CALAIN = .TRUE.\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A1 = XK5 *(WATER/GAMA(2))**3.0\n A4 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2.0\n A5 = XK4 *R*TEMP*(WATER/GAMA(10))**2.0\n A6 = XK3 *R*TEMP*(WATER/GAMA(11))**2.0\n A7 = XK17 *(WATER/GAMA(17))**3.0\nC\nC\n IF (CHI5.GE.TINY) THEN\n PSI5 = PSI6*CHI5/(A6/A5*(CHI6-PSI6) + PSI6)\n PSI5 = MIN (PSI5,CHI5)\n ELSE\n PSI5 = TINY\n ENDIF\nC\nCCC IF(CHI4.GT.TINY) THEN\n IF(W(2).GT.TINY) THEN ! Accounts for NH3 evaporation\n BB =-(CHI4 + PSI6 + PSI5 + 1.d0/A4)\n CC = CHI4*(PSI5+PSI6) - 2.d0*PSI2/A4\n DD = MAX(BB*BB-4.d0*CC,ZERO) ! Patch proposed by Uma Shankar, 19/11/01\n PSI4 =0.5d0*(-BB - SQRT(DD))\n PSI4 = MAX (MIN (PSI4,CHI4), ZERO)\n ELSE\n PSI4 = TINY\n ENDIF\nC\n IF (CHI7.GT.TINY .AND. WATER.GT.TINY) THEN ! PSI7\n CALL POLY3 ((PSI2+PSI8)/(SQRT(A1/A7)+1.D0), ZERO,\n & -A7/4.D0/(SQRT(A1/A7)+1.D0), PSI7, ISLV)\n IF (ISLV.EQ.0) THEN\n PSI7 = MAX (MIN (PSI7, CHI7), ZERO)\n ELSE\n PSI7 = ZERO\n ENDIF\n ELSE\n PSI7 = ZERO\n ENDIF\nC\n IF (CHI1.GE.TINY) THEN ! PSI1\n PSI1 = SQRT(A1/A7)*PSI7\n PSI1 = MIN(PSI1,CHI1)\n ELSE\n PSI1 = ZERO\n ENDIF\nC\nC\nC *** SAVE CONCENTRATIONS IN MOLAL ARRAY ******************************\nC\n MOLAL (2) = 2.0D0*PSI1 ! NaI\n MOLAL (3) = 2.0D0*PSI2 + PSI4 ! NH4I\n MOLAL (4) = PSI6 ! CLI\n MOLAL (5) = PSI1+PSI2+PSI7+PSI8 ! SO4I\n MOLAL (6) = ZERO ! HSO4\n MOLAL (7) = PSI5 ! NO3I\n MOLAL (8) = ZERO ! CaI\n MOLAL (9) = 2.0D0*PSI7 ! KI\n MOLAL (10)= PSI8 ! Mg\n\nC\nC *** CALCULATE HSO4 SPECIATION AND RETURN *******************************\n\nC\nCCC MOLAL (1) = MAX(CHI5 - PSI5, TINY)*A5/PSI5 ! HI\n SMIN = 2.d0*MOLAL(5)+MOLAL(7)+MOLAL(4)-MOLAL(2)-MOLAL(3)\n & -MOLAL(9)-2.D0*MOLAL(10)\n CALL CALCPH (SMIN, HI, OHI)\n MOLAL (1) = HI\nC\nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n GNH3 = MAX(CHI4 - PSI4, TINY)\n GHNO3 = MAX(CHI5 - PSI5, TINY)\n GHCL = MAX(CHI6 - PSI6, TINY)\nC\n CNA2SO4 = MAX(CHI1 - PSI1, TINY)\n CNH42S4 = ZERO\n CNH4NO3 = ZERO\n CNH4Cl = ZERO\n CK2SO4 = MAX(CHI7 - PSI7, TINY)\n CMGSO4 = ZERO\n CCASO4 = CHI9\nC\nC *** CALCULATE MOLALR ARRAY, WATER AND ACTIVITIES **********************\nC\n CALL CALCMR\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nC\nC *** CALCULATE FUNCTION VALUE FOR OUTER LOOP ***************************\nC\n20 FUNCO5 = MOLAL(1)*MOLAL(4)/GHCL/A6 - ONE\nCCC FUNCG5A = MOLAL(3)*MOLAL(4)/GHCL/GNH3/A6/A4 - ONE\nC\n RETURN\nC\nC *** END OF FUNCTION FUNCO5 *******************************************\nC\n END\nC\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCO4\nC *** CASE O4\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. (Rsulfate > 2.0 ; R(Cr+Na) < 2.0)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : NA2SO4, K2SO4, MGSO4, CASO4\nC 4. Completely dissolved: NH4NO3, NH4CL, (NH4)2SO4\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCO4\n INCLUDE 'isrpia.inc'\nC\n DOUBLE PRECISION LAMDA\n COMMON /CASEO/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, LAMDA, PSI1, PSI2, PSI3, PSI4, PSI5,\n & PSI6, PSI7, PSI8, PSI9, A1, A2, A3, A4,\n & A5, A6, A7, A8, A9\nC\nC *** SETUP PARAMETERS ************************************************\nC\n CALAOU = .TRUE.\n CHI9 = MIN (W(6), W(2)) ! CCASO4\n SO4FR = MAX (W(2)-CHI9, ZERO)\n CAFR = MAX (W(6)-CHI9, ZERO)\n CHI7 = MIN (0.5D0*W(7), SO4FR) ! CK2SO4\n FRK = MAX (W(7) - 2.D0*CHI7, ZERO)\n SO4FR = MAX (SO4FR - CHI7, ZERO)\n CHI1 = MIN (0.5D0*W(1), SO4FR) ! NA2SO4\n NAFR = MAX (W(1) - 2.D0*CHI1, ZERO)\n SO4FR = MAX (SO4FR - CHI1, ZERO)\n CHI8 = MIN (W(8), SO4FR) ! CMGSO4\n FRMG = MAX(W(8) - CHI8, ZERO)\n SO4FR = MAX(SO4FR - CHI8, ZERO)\n CHI3 = ZERO\n CHI5 = W(4)\n CHI6 = W(5)\n CHI2 = MAX (SO4FR, ZERO)\n CHI4 = MAX (W(3)-2.D0*CHI2, ZERO)\nC\n PSI2 = CHI2\n PSI3 = ZERO\n PSI7 = ZERO\n PSI8 = CHI8\n PSI6LO = TINY\n PSI6HI = CHI6-TINY ! MIN(CHI6-TINY, CHI4)\nC\n WATER = CHI2/M0(4) + CHI1/M0(2) + CHI7/M0(17) + CHI8/M0(21)\n WATER = MAX (WATER , TINY)\nC\nC *** INITIAL VALUES FOR BISECTION ************************************\nC\n X1 = PSI6LO\n Y1 = FUNCO4 (X1)\n IF (CHI6.LE.TINY) GOTO 50\nCCC IF (ABS(Y1).LE.EPS .OR. CHI6.LE.TINY) GOTO 50\nCCC IF (WATER .LE. TINY) GOTO 50 ! No water\nC\nC *** ROOT TRACKING ; FOR THE RANGE OF HI AND LO **********************\nC\n DX = (PSI6HI-PSI6LO)/FLOAT(NDIV)\n DO 10 I=1,NDIV\n X2 = X1+DX\n Y2 = FUNCO4 (X2)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y2).LT.ZERO) GOTO 20 ! (Y1*Y2.LT.ZERO)\n X1 = X2\n Y1 = Y2\n10 CONTINUE\nC\nC *** NO SUBDIVISION WITH SOLUTION; IF ABS(Y2) 2.0) ; SODIUM POOR (SODRAT < 2.0)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : (NH4)2SO4, NH4CL, NA2SO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n DOUBLE PRECISION FUNCTION FUNCO4 (X)\n INCLUDE 'isrpia.inc'\nC\n DOUBLE PRECISION LAMDA\n COMMON /CASEO/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, LAMDA, PSI1, PSI2, PSI3, PSI4, PSI5,\n & PSI6, PSI7, PSI8, PSI9, A1, A2, A3, A4,\n & A5, A6, A7, A8, A9\nC\nC *** SETUP PARAMETERS ************************************************\nC\n PSI6 = X\n PSI2 = CHI2\n FRST = .TRUE.\n CALAIN = .TRUE.\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A1 = XK5 *(WATER/GAMA(2))**3.0\n A4 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2.0\n A5 = XK4 *R*TEMP*(WATER/GAMA(10))**2.0\n A6 = XK3 *R*TEMP*(WATER/GAMA(11))**2.0\n A7 = XK17 *(WATER/GAMA(17))**3.0\nC A8 = XK23 *(WATER/GAMA(21))**2.0\nC\nC CALCULATE DISSOCIATION QUANTITIES\nC\n IF (CHI5.GE.TINY) THEN\n PSI5 = PSI6*CHI5/(A6/A5*(CHI6-PSI6) + PSI6)\n PSI5 = MIN (PSI5,CHI5)\n ELSE\n PSI5 = TINY\n ENDIF\nC\nCCC IF(CHI4.GT.TINY) THEN\n IF(W(2).GT.TINY) THEN ! Accounts for NH3 evaporation\n BB =-(CHI4 + PSI6 + PSI5 + 1.d0/A4)\n CC = CHI4*(PSI5+PSI6) - 2.d0*PSI2/A4\n DD = MAX(BB*BB-4.d0*CC,ZERO) ! Patch proposed by Uma Shankar, 19/11/01\n PSI4 =0.5d0*(-BB - SQRT(DD))\n PSI4 = MAX (MIN (PSI4,CHI4), ZERO)\n ELSE\n PSI4 = TINY\n ENDIF\nC\n IF (CHI7.GT.TINY .AND. WATER.GT.TINY) THEN ! PSI7\n CALL POLY3 (PSI2+PSI8, ZERO, -A7/4.D0, PSI7, ISLV)\n IF (ISLV.EQ.0) THEN\n PSI7 = MAX (MIN (PSI7, CHI7), ZERO)\n ELSE\n PSI7 = ZERO\n ENDIF\n ELSE\n PSI7 = ZERO\n ENDIF\nC\nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n MOLAL (2) = ZERO ! NAI\n MOLAL (3) = 2.0D0*PSI2 + PSI4 ! NH4I\n MOLAL (4) = PSI6 ! CLI\n MOLAL (5) = PSI2+PSI7+PSI8 ! SO4I\n MOLAL (6) = ZERO ! HSO4\n MOLAL (7) = PSI5 ! NO3I\n MOLAL (8) = ZERO ! CAI\n MOLAL (9) = 2.0D0*PSI7 ! KI\n MOLAL (10)= PSI8 ! MGI\n\nC\nC *** CALCULATE HSO4 SPECIATION AND RETURN *******************************\n\nC\nCCC MOLAL (1) = MAX(CHI5 - PSI5, TINY)*A5/PSI5 ! HI\n SMIN = 2.d0*MOLAL(5)+MOLAL(7)+MOLAL(4)-MOLAL(2)-MOLAL(3)\n & -MOLAL(9)-2.D0*MOLAL(10)\n CALL CALCPH (SMIN, HI, OHI)\n MOLAL (1) = HI\nC\nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n GNH3 = MAX(CHI4 - PSI4, TINY)\n GHNO3 = MAX(CHI5 - PSI5, TINY)\n GHCL = MAX(CHI6 - PSI6, TINY)\nC\n CNH42S4 = ZERO\n CNH4NO3 = ZERO\n CNH4Cl = ZERO\n CK2SO4 = MAX(CHI7 - PSI7, TINY)\n CMGSO4 = ZERO\n CCASO4 = CHI9\nC\n CALL CALCMR ! Water content\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nC\nC *** CALCULATE FUNCTION VALUE FOR OUTER LOOP ***************************\nC\n20 FUNCO4 = MOLAL(1)*MOLAL(4)/GHCL/A6 - ONE\nCCC FUNCO4 = MOLAL(3)*MOLAL(4)/GHCL/GNH3/A6/A4 - ONE\nC\n RETURN\nC\nC *** END OF FUNCTION FUNCO4 *******************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCO3\nC *** CASE O3\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SO4RAT > 2.0), Cr+NA poor (CRNARAT < 2)\nC 2. SOLID & LIQUID AEROSOL POSSIBLE\nC 3. SOLIDS POSSIBLE : (NH4)2SO4, NH4NO3, NH4Cl, NA2SO4, K2SO4, MGSO4, CASO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCO3\n INCLUDE 'isrpia.inc'\n EXTERNAL CALCO1A, CALCO4\nC\nC *** REGIME DEPENDS ON THE EXISTANCE OF WATER AND OF THE RH ************\nC\n IF (W(4).GT.TINY .AND. W(5).GT.TINY) THEN ! NO3,CL EXIST, WATER POSSIBLE\n SCASE = 'O3 ; SUBCASE 1'\n CALL CALCO3A\n SCASE = 'O3 ; SUBCASE 1'\n ELSE ! NO3, CL NON EXISTANT\n SCASE = 'O1 ; SUBCASE 1'\n CALL CALCO1A\n SCASE = 'O1 ; SUBCASE 1'\n ENDIF\nC\n IF (WATER.LE.TINY) THEN\n IF (RH.LT.DRMO3) THEN ! ONLY SOLIDS\n WATER = TINY\n DO 10 I=1,NIONS\n MOLAL(I) = ZERO\n10 CONTINUE\n CALL CALCO1A\n SCASE = 'O3 ; SUBCASE 2'\n RETURN\n ELSE\n SCASE = 'O3 ; SUBCASE 3' ! MDRH REGION (NA2SO4, NH42S4, K2SO4, MGSO4, CASO4)\n CALL CALCMDRH2 (RH, DRMO3, DRNH42S4, CALCO1A, CALCO4)\n SCASE = 'O3 ; SUBCASE 3'\n ENDIF\n ENDIF\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCO3 ******************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCO3A\nC *** CASE O3 ; SUBCASE 1\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. (Rsulfate > 2.0 ; R(Cr+Na) < 2.0)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : (NH4)2SO4, NA2SO4, K2SO4, MGSO4, CASO4\nC 4. Completely dissolved: NH4NO3, NH4CL\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCO3A\n INCLUDE 'isrpia.inc'\nC\n DOUBLE PRECISION LAMDA\n COMMON /CASEO/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, LAMDA, PSI1, PSI2, PSI3, PSI4, PSI5,\n & PSI6, PSI7, PSI8, PSI9, A1, A2, A3, A4,\n & A5, A6, A7, A8, A9\nC\nC *** SETUP PARAMETERS ************************************************\nC\n CALAOU = .TRUE.\n CHI9 = MIN (W(6), W(2)) ! CCASO4\n SO4FR = MAX (W(2)-CHI9, ZERO)\n CAFR = MAX (W(6)-CHI9, ZERO)\n CHI7 = MIN (0.5D0*W(7), SO4FR) ! CK2SO4\n FRK = MAX (W(7) - 2.D0*CHI7, ZERO)\n SO4FR = MAX (SO4FR - CHI7, ZERO)\n CHI1 = MIN (0.5D0*W(1), SO4FR) ! NA2SO4\n NAFR = MAX (W(1) - 2.D0*CHI1, ZERO)\n SO4FR = MAX (SO4FR - CHI1, ZERO)\n CHI8 = MIN (W(8), SO4FR) ! CMGSO4\n FRMG = MAX(W(8) - CHI8, ZERO)\n SO4FR = MAX(SO4FR - CHI8, ZERO)\n CHI3 = ZERO\n CHI5 = W(4)\n CHI6 = W(5)\n CHI2 = MAX (SO4FR, ZERO)\n CHI4 = MAX (W(3)-2.D0*CHI2, ZERO)\nC\n PSI8 = CHI8\n PSI6LO = TINY\n PSI6HI = CHI6-TINY\nC\n WATER = TINY\nC\nC *** INITIAL VALUES FOR BISECTION ************************************\nC\n X1 = PSI6LO\n Y1 = FUNCO3A (X1)\n IF (CHI6.LE.TINY) GOTO 50\nCCC IF (ABS(Y1).LE.EPS .OR. CHI7.LE.TINY) GOTO 50\nCCC IF (WATER .LE. TINY) GOTO 50 ! No water\nC\nC *** ROOT TRACKING ; FOR THE RANGE OF HI AND LO **********************\nC\n DX = (PSI6HI-PSI6LO)/FLOAT(NDIV)\n DO 10 I=1,NDIV\n X2 = X1+DX\n Y2 = FUNCO3A (X2)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y2).LT.ZERO) GOTO 20 ! (Y1*Y2.LT.ZERO)\n X1 = X2\n Y1 = Y2\n10 CONTINUE\nC\nC *** NO SUBDIVISION WITH SOLUTION; IF ABS(Y2) 2.0 ; R(Cr+Na) < 2.0)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : (NH4)2SO4, NA2SO4, K2SO4, MgSO4, CaSO4\nC 4. Completely dissolved: NH4NO3, NH4CL\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n DOUBLE PRECISION FUNCTION FUNCO3A (X)\n INCLUDE 'isrpia.inc'\nC\n DOUBLE PRECISION LAMDA\n COMMON /CASEO/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, LAMDA, PSI1, PSI2, PSI3, PSI4, PSI5,\n & PSI6, PSI7, PSI8, PSI9, A1, A2, A3, A4,\n & A5, A6, A7, A8, A9\nC\nC *** SETUP PARAMETERS ************************************************\nC\n PSI2 = CHI2\n PSI8 = CHI8\n PSI3 = ZERO\n PSI6 = X\nC\n FRST = .TRUE.\n CALAIN = .TRUE.\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A1 = XK5 *(WATER/GAMA(2))**3.0D0\n A2 = XK7 *(WATER/GAMA(4))**3.0D0\n A4 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2.0D0\n A5 = XK4 *R*TEMP*(WATER/GAMA(10))**2.0D0\n A6 = XK3 *R*TEMP*(WATER/GAMA(11))**2.0D0\n A7 = XK17 *(WATER/GAMA(17))**3.0D0\nC A8 = XK23 *(WATER/GAMA(21))**2.0D0\n A65 = A6/A5\nC\nC CALCULATE DISSOCIATION QUANTITIES\nC\n DENO = MAX(CHI6-PSI6-PSI3, ZERO)\n PSI5 = PSI6*CHI5/(A6/A5*DENO + PSI6)\n PSI5 = MIN(MAX(PSI5,ZERO),CHI5)\nC\nCCC IF(CHI4.GT.TINY) THEN ! PSI4\n IF(W(2).GT.TINY) THEN ! Accounts for NH3 evaporation\n BB =-(CHI4 + PSI6 + PSI5 + 1.d0/A4)\n CC = CHI4*(PSI5+PSI6) - 2.d0*PSI2/A4\n DD = MAX(BB*BB-4.d0*CC,ZERO) ! Patch proposed by Uma Shankar, 19/11/01\n PSI4 =0.5d0*(-BB - SQRT(DD))\n ELSE\n PSI4 = TINY\n ENDIF\n PSI4 = MIN (MAX (PSI4,ZERO), CHI4)\nC\n IF (CHI7.GT.TINY .AND. WATER.GT.TINY) THEN ! PSI7\n CALL POLY3 (PSI2+PSI8, ZERO, -A7/4.D0, PSI7, ISLV)\n IF (ISLV.EQ.0) THEN\n PSI7 = MAX (MIN (PSI7, CHI7), ZERO)\n ELSE\n PSI7 = ZERO\n ENDIF\n ELSE\n PSI7 = ZERO\n ENDIF\nC\n IF (CHI2.GT.TINY .AND. WATER.GT.TINY) THEN\n CALL POLY3 (PSI7+PSI8+PSI4, PSI4*(PSI7+PSI8)+\n & PSI4*PSI4/4.D0, (PSI4*PSI4*(PSI7+PSI8)-A2)\n & /4.D0,PSI20, ISLV)\n IF (ISLV.EQ.0) PSI2 = MIN (MAX(PSI20,ZERO), CHI2)\n ENDIF\nC PSI2 = 0.5D0*(2.0D0*SQRT(A2/A7)*PSI7 - PSI4)\nC PSI2 = MIN (MAX(PSI2, ZERO), CHI2)\nC ENDIF\nC\nC *** SAVE CONCENTRATIONS IN MOLAL ARRAY ******************************\nC\n MOLAL (2) = ZERO ! NaI\n MOLAL (3) = 2.0D0*PSI2 + PSI4 ! NH4I\n MOLAL (4) = PSI6 ! CLI\n MOLAL (5) = PSI2+PSI7+PSI8 ! SO4I\n MOLAL (6) = ZERO ! HSO4\n MOLAL (7) = PSI5 ! NO3I\n MOLAL (8) = ZERO ! CAI\n MOLAL (9) = 2.0D0*PSI7 ! KI\n MOLAL (10)= PSI8 ! MGI\nC\nCCC MOLAL (1) = MAX(CHI5 - PSI5, TINY)*A5/PSI5 ! HI\n SMIN = 2.d0*MOLAL(5)+MOLAL(7)+MOLAL(4)-MOLAL(2)-MOLAL(3)\n & -MOLAL(9)-2.D0*MOLAL(10)\n CALL CALCPH (SMIN, HI, OHI)\n MOLAL (1) = HI\nC\nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n GNH3 = MAX(CHI4 - PSI4, TINY)\n GHNO3 = MAX(CHI5 - PSI5, TINY)\n GHCL = MAX(CHI6 - PSI6, TINY)\nC\nC CNA2SO4 = MAX(CHI1 - PSI1, ZERO)\n CNH42S4 = MAX(CHI2 - PSI2, ZERO)\n CNH4NO3 = ZERO\n CNH4Cl = ZERO\n CK2SO4 = MAX(CHI7 - PSI7, ZERO)\n CMGSO4 = ZERO\n CCASO4 = CHI9\nC\nC *** CALCULATE MOLALR ARRAY, WATER AND ACTIVITIES **********************\nC\n CALL CALCMR\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nC\nC *** CALCULATE FUNCTION VALUE FOR OUTER LOOP ***************************\nC\n20 FUNCO3A = MOLAL(1)*MOLAL(4)/GHCL/A6 - ONE\nC\nC\n RETURN\nC\nC *** END OF FUNCTION FUNCO3A *******************************************\nC\n END\n\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCO2\nC *** CASE O2\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SO4RAT > 2.0), Cr+NA poor (CRNARAT < 2)\nC 2. SOLID & LIQUID AEROSOL POSSIBLE\nC 3. SOLIDS POSSIBLE : (NH4)2SO4, NH4NO3, NH4Cl, NA2SO4, K2SO4, MGSO4, CASO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCO2\n INCLUDE 'isrpia.inc'\n EXTERNAL CALCO1A, CALCO3A, CALCO4\nC\nC *** REGIME DEPENDS ON THE EXISTANCE OF NITRATES ***********************\nC\n IF (W(4).GT.TINY) THEN ! NO3 EXISTS, WATER POSSIBLE\n SCASE = 'O2 ; SUBCASE 1'\n CALL CALCO2A\n SCASE = 'O2 ; SUBCASE 1'\n ELSE ! NO3 NON EXISTANT, WATER NOT POSSIBLE\n SCASE = 'O1 ; SUBCASE 1'\n CALL CALCO1A\n SCASE = 'O1 ; SUBCASE 1'\n ENDIF\nC\nC *** REGIME DEPENDS ON THE EXISTANCE OF WATER AND OF THE RH ************\nC\n IF (WATER.LE.TINY) THEN\n IF (RH.LT.DRMO2) THEN ! ONLY SOLIDS\n WATER = TINY\n DO 10 I=1,NIONS\n MOLAL(I) = ZERO\n10 CONTINUE\n CALL CALCO1A\n SCASE = 'O2 ; SUBCASE 2'\n ELSE\n IF (W(5).GT. TINY) THEN\n SCASE = 'O2 ; SUBCASE 3' ! MDRH (NH4CL, NA2SO4, NH42S4, K2SO4, MGSO4, CASO4)\n CALL CALCMDRH2 (RH, DRMO2, DRNH4CL, CALCO1A, CALCO3A)\n SCASE = 'O2 ; SUBCASE 3'\n ENDIF\n IF (WATER.LE.TINY .AND. RH.GE.DRMO3) THEN\n SCASE = 'O2 ; SUBCASE 4' ! MDRH (NA2SO4, NH42S4, K2SO4, MGSO4, CASO4)\n CALL CALCMDRH2 (RH, DRMO3, DRNH42S4, CALCO1A, CALCO4)\n SCASE = 'O2 ; SUBCASE 4'\n ELSE\n WATER = TINY\n DO 20 I=1,NIONS\n MOLAL(I) = ZERO\n20 CONTINUE\n CALL CALCO1A\n SCASE = 'O2 ; SUBCASE 2'\n ENDIF\n ENDIF\n ENDIF\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCO2 ******************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCO2A\nC *** CASE O2 ; SUBCASE 1\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. (Rsulfate > 2.0 ; R(Cr+Na) < 2.0)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : (NH4)2SO4, NH4CL, NA2SO4, K2SO4, MgSO4, CaSO4\nC 4. Completely dissolved: NH4NO3\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCO2A\n INCLUDE 'isrpia.inc'\nC\n DOUBLE PRECISION LAMDA\n COMMON /CASEO/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, LAMDA, PSI1, PSI2, PSI3, PSI4, PSI5,\n & PSI6, PSI7, PSI8, PSI9, A1, A2, A3, A4,\n & A5, A6, A7, A8, A9\nC\nC *** SETUP PARAMETERS *************************************************\nC\n CALAOU = .TRUE.\n CHI9 = MIN (W(6), W(2)) ! CCASO4\n SO4FR = MAX (W(2)-CHI9, ZERO)\n CAFR = MAX (W(6)-CHI9, ZERO)\n CHI7 = MIN (0.5D0*W(7), SO4FR) ! CK2SO4\n FRK = MAX (W(7) - 2.D0*CHI7, ZERO)\n SO4FR = MAX (SO4FR - CHI7, ZERO)\n CHI1 = MIN (0.5D0*W(1), SO4FR) ! NA2SO4\n NAFR = MAX (W(1) - 2.D0*CHI1, ZERO)\n SO4FR = MAX (SO4FR - CHI1, ZERO)\n CHI8 = MIN (W(8), SO4FR) ! CMGSO4\n FRMG = MAX(W(8) - CHI8, ZERO)\n SO4FR = MAX(SO4FR - CHI8, ZERO)\n CHI3 = ZERO\n CHI5 = W(4)\n CHI6 = W(5)\n CHI2 = MAX (SO4FR, ZERO)\n CHI4 = MAX (W(3)-2.D0*CHI2, ZERO)\nC\n PSI8 = CHI8\n PSI6LO = TINY\n PSI6HI = CHI6-TINY\nC\n WATER = TINY\nC\nC *** INITIAL VALUES FOR BISECTION *************************************\nC\n X1 = PSI6LO\n Y1 = FUNCO2A (X1)\n IF (CHI6.LE.TINY) GOTO 50\nCCC IF (ABS(Y1).LE.EPS .OR. CHI6.LE.TINY) GOTO 50\nCCC IF (WATER .LE. TINY) GOTO 50 ! No water\nC\nC *** ROOT TRACKING ; FOR THE RANGE OF HI AND LO ***********************\nC\n DX = (PSI6HI-PSI6LO)/FLOAT(NDIV)\n DO 10 I=1,NDIV\n X2 = X1+DX\n Y2 = FUNCO2A (X2)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y2).LT.ZERO) GOTO 20 ! (Y1*Y2.LT.ZERO)\n X1 = X2\n Y1 = Y2\n10 CONTINUE\nC\nC *** NO SUBDIVISION WITH SOLUTION; IF ABS(Y2) 2.0 ; R(Cr+Na) < 2.0)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : (NH4)2SO4, NH4CL, NA2SO4, K2SO4, MgSO4, CaSO4\nC 4. Completely dissolved: NH4NO3\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n DOUBLE PRECISION FUNCTION FUNCO2A (X)\n INCLUDE 'isrpia.inc'\nC\n DOUBLE PRECISION LAMDA\n COMMON /CASEO/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, LAMDA, PSI1, PSI2, PSI3, PSI4, PSI5,\n & PSI6, PSI7, PSI8, PSI9, A1, A2, A3, A4,\n & A5, A6, A7, A8, A9\nC\nC *** SETUP PARAMETERS ************************************************\nC\n PSI6 = X\n PSI2 = CHI2\n PSI3 = ZERO\nC\n FRST = .TRUE.\n CALAIN = .TRUE.\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A1 = XK5 *(WATER/GAMA(2))**3.0D0\n A2 = XK7 *(WATER/GAMA(4))**3.0D0\n A3 = XK6 /(R*TEMP*R*TEMP)\n A4 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2.0D0\n A5 = XK4 *R*TEMP*(WATER/GAMA(10))**2.0D0\n A6 = XK3 *R*TEMP*(WATER/GAMA(11))**2.0D0\n A65 = A6/A5\n A7 = XK17 *(WATER/GAMA(17))**3.0D0\nC A8 = XK23 *(WATER/GAMA(21))**2.0D0\nC\n DENO = MAX(CHI6-PSI6-PSI3, ZERO)\n PSI5 = PSI6*CHI5/(A6/A5*DENO + PSI6)\n PSI5 = MIN(PSI5,CHI5)\nC\n PSI4 = MIN(PSI5+PSI6,CHI4)\nC\nC\n IF (CHI7.GT.TINY .AND. WATER.GT.TINY) THEN ! PSI7\n CALL POLY3 (PSI2+PSI8, ZERO, -A7/4.D0, PSI7, ISLV)\n IF (ISLV.EQ.0) THEN\n PSI7 = MAX (MIN (PSI7, CHI7), ZERO)\n ELSE\n PSI7 = ZERO\n ENDIF\n ELSE\n PSI7 = ZERO\n ENDIF\nC\n IF (CHI2.GT.TINY .AND. WATER.GT.TINY) THEN\n CALL POLY3 (PSI7+PSI8+PSI4, PSI4*(PSI7+PSI8)+\n & PSI4*PSI4/4.D0, (PSI4*PSI4*(PSI7+PSI8)-A2)\n & /4.D0,PSI20, ISLV)\n IF (ISLV.EQ.0) PSI2 = MIN (MAX(PSI20,ZERO), CHI2)\n ENDIF\nC PSI2 = 0.5D0*(2.0D0*SQRT(A2/A7)*PSI7 - PSI4)\nC PSI2 = MIN (PSI2, CHI2)\nC ENDIF\nC\nC *** SAVE CONCENTRATIONS IN MOLAL ARRAY ******************************\nC\n MOLAL (2) = ZERO ! NaI\n MOLAL (3) = 2.0D0*PSI2 + PSI4 ! NH4I\n MOLAL (4) = PSI6 ! CLI\n MOLAL (5) = PSI2+PSI7+PSI8 ! SO4I\n MOLAL (6) = ZERO ! HSO4\n MOLAL (7) = PSI5 ! NO3I\n MOLAL (8) = ZERO ! CAI\n MOLAL (9) = 2.0D0*PSI7 ! KI\n MOLAL (10)= PSI8 ! MGI\nC\nCCC MOLAL (1) = MAX(CHI5 - PSI5, TINY)*A5/PSI5 ! HI\n SMIN = 2.d0*MOLAL(5)+MOLAL(7)+MOLAL(4)-MOLAL(2)-MOLAL(3)\n & -MOLAL(9)-2.D0*MOLAL(10)\n CALL CALCPH (SMIN, HI, OHI)\n MOLAL (1) = HI\nC\nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n GNH3 = MAX(CHI4 - PSI4, TINY)\n GHNO3 = MAX(CHI5 - PSI5, TINY)\n GHCL = MAX(CHI6 - PSI6, TINY)\nC\nC CNA2SO4 = MAX(CHI1 - PSI1, ZERO)\n CNH42S4 = MAX(CHI2 - PSI2, ZERO)\n CNH4NO3 = ZERO\n CK2SO4 = MAX(CHI7 - PSI7, ZERO)\n CMGSO4 = ZERO\n CCASO4 = CHI9\n \nC\nC *** NH4Cl(s) calculations\nC\n A3 = XK6 /(R*TEMP*R*TEMP)\n IF (GNH3*GHCL.GT.A3) THEN\n DELT = MIN(GNH3, GHCL)\n BB = -(GNH3+GHCL)\n CC = GNH3*GHCL-A3\n DD = BB*BB - 4.D0*CC\n PSI31 = 0.5D0*(-BB + SQRT(DD))\n PSI32 = 0.5D0*(-BB - SQRT(DD))\n IF (DELT-PSI31.GT.ZERO .AND. PSI31.GT.ZERO) THEN\n PSI3 = PSI31\n ELSEIF (DELT-PSI32.GT.ZERO .AND. PSI32.GT.ZERO) THEN\n PSI3 = PSI32\n ELSE\n PSI3 = ZERO\n ENDIF\n ELSE\n PSI3 = ZERO\n ENDIF\n PSI3 = MIN(MIN(PSI3,CHI4-PSI4),CHI6-PSI6)\nC\nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n GNH3 = MAX(GNH3 - PSI3, TINY)\n GHCL = MAX(GHCL - PSI3, TINY)\n CNH4CL = PSI3\nC\nC *** CALCULATE MOLALR ARRAY, WATER AND ACTIVITIES *********************\nC\n CALL CALCMR\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nC\nC *** CALCULATE FUNCTION VALUE FOR OUTER LOOP **************************\nC\n\nC20 IF (CHI4.LE.TINY) THEN\nC FUNCO2A = MOLAL(1)*MOLAL(4)/GHCL/A6 - ONE\nC ELSE\n20 FUNCO2A = MOLAL(3)*MOLAL(4)/GHCL/GNH3/A6/A4 - ONE\nC ENDIF\nC\n RETURN\nC\nC *** END OF FUNCTION FUNCO2A ****************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCO1\nC *** CASE O1\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SO4RAT > 2.0), Cr+NA poor (CRNARAT < 2)\nC 2. SOLID & LIQUID AEROSOL POSSIBLE\nC 3. SOLIDS POSSIBLE : (NH4)2SO4, NH4NO3, NH4Cl, NA2SO4, K2SO4, MGSO4, CASO4\nC\nC THERE ARE TWO POSSIBLE REGIMES HERE, DEPENDING ON RELATIVE HUMIDITY:\nC 1. WHEN RH >= MDRH ; LIQUID PHASE POSSIBLE (MDRH REGION)\nC 2. WHEN RH < MDRH ; ONLY SOLID PHASE POSSIBLE (SUBROUTINE CALCO1A)\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCO1\n INCLUDE 'isrpia.inc'\n EXTERNAL CALCO1A, CALCO2A\nC\nC *** REGIME DEPENDS UPON THE AMBIENT RELATIVE HUMIDITY *****************\nC\n IF (RH.LT.DRMO1) THEN\n SCASE = 'O1 ; SUBCASE 1'\n CALL CALCO1A ! SOLID PHASE ONLY POSSIBLE\n SCASE = 'O1 ; SUBCASE 1'\n ELSE\n SCASE = 'O1 ; SUBCASE 2' ! LIQUID & SOLID PHASE POSSIBLE\n CALL CALCMDRH2 (RH, DRMO1, DRNH4NO3, CALCO1A, CALCO2A)\n SCASE = 'O1 ; SUBCASE 2'\n ENDIF\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCO1 ******************************************\nC\n END\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCO1A\nC *** CASE O1A\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SO4RAT > 2.0), Cr+NA poor (CRNARAT < 2)\nC 2. SOLID AEROSOL ONLY\nC 3. SOLIDS POSSIBLE : (NH4)2SO4, NH4NO3, NH4Cl, NA2SO4, K2SO4, MGSO4, CASO4\nC\nC SOLID (NH4)2SO4 IS CALCULATED FROM THE SULFATES, WHILE NH4NO3\nC IS CALCULATED FROM NH3-HNO3 EQUILIBRIUM. 'ZE' IS THE AMOUNT OF\nC NH4NO3 THAT VOLATIZES WHEN ALL POSSILBE NH4NO3 IS INITIALLY IN\nC THE SOLID PHASE.\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCO1A\n INCLUDE 'isrpia.inc'\n DOUBLE PRECISION LAMDA, LAMDA1, LAMDA2, KAPA, KAPA1, KAPA2\nC\nC *** CALCULATE NON VOLATILE SOLIDS ***********************************\nC\n CCASO4 = MIN (W(6), W(2)) ! CCASO4\n SO4FR = MAX(W(2) - CCASO4, ZERO)\n CAFR = MAX(W(6) - CCASO4, ZERO)\n CK2SO4 = MIN (0.5D0*W(7), SO4FR) ! CK2S04\n FRK = MAX(W(7) - 2.D0*CK2SO4, ZERO)\n SO4FR = MAX(SO4FR - CK2SO4, ZERO)\n CNA2SO4 = MIN (0.5D0*W(1), SO4FR) ! CNA2SO4\n FRNA = MAX(W(1) - 2.D0*CNA2SO4, ZERO)\n SO4FR = MAX(SO4FR - CNA2SO4, ZERO)\n CMGSO4 = MIN (W(8), SO4FR) ! CMGSO4\n FRMG = MAX(W(8) - CMGSO4, ZERO)\n SO4FR = MAX(SO4FR - CMGSO4, ZERO)\nC\n CNH42S4 = MAX (SO4FR , ZERO) ! CNH42S4\nC\nC *** CALCULATE VOLATILE SPECIES **************************************\nC\n ALF = W(3) - 2.0D0*CNH42S4\n BET = W(5)\n GAM = W(4)\nC\n RTSQ = R*TEMP*R*TEMP\n A1 = XK6/RTSQ\n A2 = XK10/RTSQ\n! print *, A2\nC\n THETA1 = GAM - BET*(A2/A1)\n THETA2 = A2/A1\nC\nC QUADRATIC EQUATION SOLUTION\nC\n BB = (THETA1-ALF-BET*(ONE+THETA2))/(ONE+THETA2)\n CC = (ALF*BET-A1-BET*THETA1)/(ONE+THETA2)\n DD = BB*BB - 4.0D0*CC\n IF (DD.LT.ZERO) GOTO 100 ! Solve each reaction seperately\nC\nC TWO ROOTS FOR KAPA, CHECK AND SEE IF ANY VALID\nC\n SQDD = SQRT(DD)\n KAPA1 = 0.5D0*(-BB+SQDD)\n KAPA2 = 0.5D0*(-BB-SQDD)\n LAMDA1 = THETA1 + THETA2*KAPA1\n LAMDA2 = THETA1 + THETA2*KAPA2\nC\n IF (KAPA1.GE.ZERO .AND. LAMDA1.GE.ZERO) THEN\n IF (ALF-KAPA1-LAMDA1.GE.ZERO .AND.\n & BET-KAPA1.GE.ZERO .AND. GAM-LAMDA1.GE.ZERO) THEN\n KAPA = KAPA1\n LAMDA= LAMDA1\n GOTO 200\n ENDIF\n ENDIF\nC\n IF (KAPA2.GE.ZERO .AND. LAMDA2.GE.ZERO) THEN\n IF (ALF-KAPA2-LAMDA2.GE.ZERO .AND.\n & BET-KAPA2.GE.ZERO .AND. GAM-LAMDA2.GE.ZERO) THEN\n KAPA = KAPA2\n LAMDA= LAMDA2\n GOTO 200\n ENDIF\n ENDIF\nC\nC SEPERATE SOLUTION OF NH4CL & NH4NO3 EQUILIBRIA\nC\n100 KAPA = ZERO\n LAMDA = ZERO\n DD1 = (ALF+BET)*(ALF+BET) - 4.0D0*(ALF*BET-A1)\n DD2 = (ALF+GAM)*(ALF+GAM) - 4.0D0*(ALF*GAM-A2)\nC\nC NH4CL EQUILIBRIUM\nC\n IF (DD1.GE.ZERO) THEN\n SQDD1 = SQRT(DD1)\n KAPA1 = 0.5D0*(ALF+BET + SQDD1)\n KAPA2 = 0.5D0*(ALF+BET - SQDD1)\nC\n IF (KAPA1.GE.ZERO .AND. KAPA1.LE.MIN(ALF,BET)) THEN\n KAPA = KAPA1\n ELSE IF (KAPA2.GE.ZERO .AND. KAPA2.LE.MIN(ALF,BET)) THEN\n KAPA = KAPA2\n ELSE\n KAPA = ZERO\n ENDIF\n ENDIF\nC\nC NH4NO3 EQUILIBRIUM\nC\n IF (DD2.GE.ZERO) THEN\n SQDD2 = SQRT(DD2)\n LAMDA1= 0.5D0*(ALF+GAM + SQDD2)\n LAMDA2= 0.5D0*(ALF+GAM - SQDD2)\nC\n IF (LAMDA1.GE.ZERO .AND. LAMDA1.LE.MIN(ALF,GAM)) THEN\n LAMDA = LAMDA1\n ELSE IF (LAMDA2.GE.ZERO .AND. LAMDA2.LE.MIN(ALF,GAM)) THEN\n LAMDA = LAMDA2\n ELSE\n LAMDA = ZERO\n ENDIF\n ENDIF\nC\nC IF BOTH KAPA, LAMDA ARE > 0, THEN APPLY EXISTANCE CRITERION\nC\n IF (KAPA.GT.ZERO .AND. LAMDA.GT.ZERO) THEN\n IF (BET .LT. LAMDA/THETA1) THEN\n KAPA = ZERO\n ELSE\n LAMDA= ZERO\n ENDIF\n ENDIF\nC\nC *** CALCULATE COMPOSITION OF VOLATILE SPECIES ************************\nC\n200 CONTINUE\n CNH4NO3 = LAMDA\n CNH4CL = KAPA\nC\n GNH3 = MAX(ALF - KAPA - LAMDA, ZERO)\n GHNO3 = MAX(GAM - LAMDA, ZERO)\n GHCL = MAX(BET - KAPA, ZERO)\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCO1A *****************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCM8\nC *** CASE M8\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; Rcr+Na >= 2.0 ; Rcr < 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : CaSO4\nC 4. Completely dissolved: NH4NO3, NH4CL, NANO3, NACL, MgSO4, NA2SO4, K2SO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCM8\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n CALAOU = .TRUE.\n CHI11 = MIN (W(6), W(2)) ! CCASO4\n SO4FR = MAX(W(2)-CHI11, ZERO)\n CAFR = MAX(W(6)-CHI11, ZERO)\n CHI9 = MIN (0.5D0*W(7), SO4FR) ! CK2S04\n FRK = MAX(W(7)-2.D0*CHI9, ZERO)\n SO4FR = MAX(SO4FR-CHI9, ZERO)\n CHI10 = MIN (W(8), SO4FR) ! CMGSO4\n FRMG = MAX(W(8)-CHI10, ZERO)\n SO4FR = MAX(SO4FR-CHI10, ZERO)\n CHI1 = MAX (SO4FR,ZERO) ! CNA2SO4\n CHI2 = ZERO ! CNH42S4\n CHI3 = ZERO ! CNH4CL\n FRNA = MAX (W(1)-2.D0*CHI1, ZERO)\n CHI8 = MIN (FRNA, W(4)) ! CNANO3\n CHI4 = W(3) ! NH3(g)\n CHI5 = MAX (W(4)-CHI8, ZERO) ! HNO3(g)\n CHI7 = MIN (MAX(FRNA-CHI8, ZERO), W(5)) ! CNACL\n CHI6 = MAX (W(5)-CHI7, ZERO) ! HCL(g)\nC\n PSI6LO = TINY\n PSI6HI = CHI6-TINY ! MIN(CHI6-TINY, CHI4)\nC\nC *** INITIAL VALUES FOR BISECTION ************************************\nC\n X1 = PSI6LO\n Y1 = FUNCM8 (X1)\n IF (ABS(Y1).LE.EPS .OR. CHI6.LE.TINY) GOTO 50\nC\nC *** ROOT TRACKING ; FOR THE RANGE OF HI AND LO **********************\nC\n DX = (PSI6HI-PSI6LO)/FLOAT(NDIV)\n DO 10 I=1,NDIV\n X2 = X1+DX\n Y2 = FUNCM8 (X2)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y2).LT.ZERO) GOTO 20 ! (Y1*Y2.LT.ZERO)\n X1 = X2\n Y1 = Y2\n10 CONTINUE\nC\nC *** NO SUBDIVISION WITH SOLUTION; IF ABS(Y2) 2.0) ; Rcr+Na >= 2.0 ; Rcr < 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : CaSO4\nC 4. Completely dissolved: NH4NO3, NH4CL, NANO3, NACL, MgSO4, NA2SO4, K2SO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n DOUBLE PRECISION FUNCTION FUNCM8 (X)\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n PSI6 = X\n PSI1 = CHI1\n PSI2 = ZERO\n PSI3 = ZERO\n PSI7 = CHI7\n PSI8 = CHI8\n PSI9 = CHI9\n PSI10 = CHI10\n PSI11 = ZERO\n FRST = .TRUE.\n CALAIN = .TRUE.\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\nC A1 = XK5 *(WATER/GAMA(2))**3.0\n A4 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2.0\n A5 = XK4 *R*TEMP*(WATER/GAMA(10))**2.0\n A6 = XK3 *R*TEMP*(WATER/GAMA(11))**2.0\nC A7 = XK8 *(WATER/GAMA(1))**2.0\nC A8 = XK9 *(WATER/GAMA(3))**2.0\nC A11 = XK1*WATER/GAMA(7)*(GAMA(8)/GAMA(7))**2.\nC\nC CALCULATE DISSOCIATION QUANTITIES\nC\n PSI5 = CHI5*(PSI6+PSI7) - A6/A5*PSI8*(CHI6-PSI6-PSI3)\n PSI5 = PSI5/(A6/A5*(CHI6-PSI6-PSI3) + PSI6 + PSI7)\n PSI5 = MIN(MAX(PSI5, TINY),CHI5)\nC\n IF (W(3).GT.TINY .AND. WATER.GT.TINY) THEN ! First try 3rd order soln\n BB =-(CHI4 + PSI6 + PSI5 + 1.d0/A4)\n CC = CHI4*(PSI5+PSI6)\n DD = MAX(BB*BB-4.d0*CC,ZERO)\n PSI4 =0.5d0*(-BB - SQRT(DD))\n PSI4 = MIN(MAX(PSI4,ZERO),CHI4)\n ELSE\n PSI4 = TINY\n ENDIF\nC\nC *** CALCULATE SPECIATION ********************************************\nC\n MOLAL (2) = PSI8 + PSI7 + 2.D0*PSI1 ! NAI\n MOLAL (3) = PSI4 ! NH4I\n MOLAL (4) = PSI6 + PSI7 ! CLI\n MOLAL (5) = PSI2 + PSI1 + PSI9 + PSI10 ! SO4I\n MOLAL (6) = ZERO ! HSO4I\n MOLAL (7) = PSI5 + PSI8 ! NO3I\n MOLAL (8) = PSI11 ! CAI\n MOLAL (9) = 2.D0*PSI9 ! KI\n MOLAL (10)= PSI10 ! MGI\nC\n SMIN = 2.d0*MOLAL(5)+MOLAL(7)+MOLAL(4)-MOLAL(2)-MOLAL(3)\n & - MOLAL(9) - 2.D0*MOLAL(10)\n CALL CALCPH (SMIN, HI, OHI)\n MOLAL (1) = HI\nC\n GNH3 = MAX(CHI4 - PSI4, TINY)\n GHNO3 = MAX(CHI5 - PSI5, TINY)\n GHCL = MAX(CHI6 - PSI6, TINY)\nC\n CNH42S4 = ZERO\n CNH4NO3 = ZERO\n CNACL = ZERO\n CNANO3 = ZERO\n CNA2SO4 = ZERO\n CK2SO4 = ZERO\n CMGSO4 = ZERO\n CCASO4 = CHI11\nC\n CALL CALCMR ! Water content\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nC\nC *** CALCULATE FUNCTION VALUE FOR OUTER LOOP ***************************\nC\nC20 FUNCM8 = MOLAL(3)*MOLAL(4)/GHCL/GNH3/A6/A4 - ONE\n20 FUNCM8 = MOLAL(1)*MOLAL(4)/GHCL/A6 - ONE\nC\n RETURN\nC\nC *** END OF FUNCTION FUNCM8 *******************************************\nC\n END\n\n\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCM7\nC *** CASE M7\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; Rcr+Na >= 2.0 ; Rcr < 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : CaSO4, K2SO4\nC 4. Completely dissolved: NH4NO3, NH4CL, NANO3, NACL, MgSO4, NA2SO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCM7\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n CALAOU = .TRUE.\n CHI11 = MIN (W(6), W(2)) ! CCASO4\n SO4FR = MAX(W(2)-CHI11, ZERO)\n CAFR = MAX(W(6)-CHI11, ZERO)\n CHI9 = MIN (0.5D0*W(7), SO4FR) ! CK2S04\n FRK = MAX(W(7)-2.D0*CHI9, ZERO)\n SO4FR = MAX(SO4FR-CHI9, ZERO)\n CHI10 = MIN (W(8), SO4FR) ! CMGSO4\n FRMG = MAX(W(8)-CHI10, ZERO)\n SO4FR = MAX(SO4FR-CHI10, ZERO)\n CHI1 = MAX (SO4FR,ZERO) ! CNA2SO4\n CHI2 = ZERO ! CNH42S4\n CHI3 = ZERO ! CNH4CL\n FRNA = MAX (W(1)-2.D0*CHI1, ZERO)\n CHI8 = MIN (FRNA, W(4)) ! CNANO3\n CHI4 = W(3) ! NH3(g)\n CHI5 = MAX (W(4)-CHI8, ZERO) ! HNO3(g)\n CHI7 = MIN (MAX(FRNA-CHI8, ZERO), W(5)) ! CNACL\n CHI6 = MAX (W(5)-CHI7, ZERO) ! HCL(g)\nC\n PSI6LO = TINY\n PSI6HI = CHI6-TINY ! MIN(CHI6-TINY, CHI4)\nC\nC *** INITIAL VALUES FOR BISECTION ************************************\nC\n X1 = PSI6LO\n Y1 = FUNCM7 (X1)\n IF (ABS(Y1).LE.EPS .OR. CHI6.LE.TINY) GOTO 50\nC\nC *** ROOT TRACKING ; FOR THE RANGE OF HI AND LO **********************\nC\n DX = (PSI6HI-PSI6LO)/FLOAT(NDIV)\n DO 10 I=1,NDIV\n X2 = X1+DX\n Y2 = FUNCM7 (X2)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y2).LT.ZERO) GOTO 20 ! (Y1*Y2.LT.ZERO)\n X1 = X2\n Y1 = Y2\n10 CONTINUE\nC\nC *** NO SUBDIVISION WITH SOLUTION; IF ABS(Y2) 2.0) ; Rcr+Na >= 2.0 ; Rcr < 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : CaSO4, K2SO4\nC 4. Completely dissolved: NH4NO3, NH4CL, NANO3, NACL, MgSO4, NA2SO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n DOUBLE PRECISION FUNCTION FUNCM7 (X)\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n PSI6 = X\n PSI1 = CHI1\n PSI2 = ZERO\n PSI3 = ZERO\n PSI7 = CHI7\n PSI8 = CHI8\n PSI9 = ZERO\n PSI10 = CHI10\n PSI11 = ZERO\n FRST = .TRUE.\n CALAIN = .TRUE.\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\nC A1 = XK5 *(WATER/GAMA(2))**3.0\n A4 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2.0\n A5 = XK4 *R*TEMP*(WATER/GAMA(10))**2.0\n A6 = XK3 *R*TEMP*(WATER/GAMA(11))**2.0\n A9 = XK17 *(WATER/GAMA(17))**3.0\nC A7 = XK8 *(WATER/GAMA(1))**2.0\nC A8 = XK9 *(WATER/GAMA(3))**2.0\nC A11 = XK1*WATER/GAMA(7)*(GAMA(8)/GAMA(7))**2.\nC\nC CALCULATE DISSOCIATION QUANTITIES\nC\n PSI5 = CHI5*(PSI6+PSI7) - A6/A5*PSI8*(CHI6-PSI6-PSI3)\n PSI5 = PSI5/(A6/A5*(CHI6-PSI6-PSI3) + PSI6 + PSI7)\n PSI5 = MIN(MAX(PSI5, TINY),CHI5)\nC\n IF (W(3).GT.TINY .AND. WATER.GT.TINY) THEN ! First try 3rd order soln\n BB =-(CHI4 + PSI6 + PSI5 + 1.d0/A4)\n CC = CHI4*(PSI5+PSI6)\n DD = MAX(BB*BB-4.d0*CC,ZERO)\n PSI4 =0.5d0*(-BB - SQRT(DD))\n PSI4 = MIN(MAX(PSI4,ZERO),CHI4)\n ELSE\n PSI4 = TINY\n ENDIF\nC\n IF (CHI9.GT.TINY .AND. WATER.GT.TINY) THEN !K2SO4\n CALL POLY3 (PSI1+PSI10,ZERO,-A9/4.D0, PSI9, ISLV)\n IF (ISLV.EQ.0) THEN\n PSI9 = MAX (MIN (PSI9,CHI9), ZERO)\n ELSE\n PSI9 = ZERO\n ENDIF\n ENDIF\nC\nC *** CALCULATE SPECIATION ********************************************\nC\n MOLAL (2) = PSI8 + PSI7 + 2.D0*PSI1 ! NAI\n MOLAL (3) = PSI4 ! NH4I\n MOLAL (4) = PSI6 + PSI7 ! CLI\n MOLAL (5) = PSI2 + PSI1 + PSI9 + PSI10 ! SO4I\n MOLAL (6) = ZERO ! HSO4I\n MOLAL (7) = PSI5 + PSI8 ! NO3I\n MOLAL (8) = PSI11 ! CAI\n MOLAL (9) = 2.D0*PSI9 ! KI\n MOLAL (10)= PSI10 ! MGI\nC\n SMIN = 2.d0*MOLAL(5)+MOLAL(7)+MOLAL(4)-MOLAL(2)-MOLAL(3)\n & - MOLAL(9) - 2.D0*MOLAL(10)\n CALL CALCPH (SMIN, HI, OHI)\n MOLAL (1) = HI\nC\n GNH3 = MAX(CHI4 - PSI4, TINY)\n GHNO3 = MAX(CHI5 - PSI5, TINY)\n GHCL = MAX(CHI6 - PSI6, TINY)\nC\n CNH42S4 = ZERO\n CNH4NO3 = ZERO\n CNACL = ZERO\n CNANO3 = ZERO\n CNA2SO4 = ZERO\n CK2SO4 = MAX(CHI9 - PSI9, ZERO)\n CMGSO4 = ZERO\n CCASO4 = CHI11\nC\n CALL CALCMR ! Water content\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nC\nC *** CALCULATE FUNCTION VALUE FOR OUTER LOOP ***************************\nC\nC20 FUNCM7 = MOLAL(3)*MOLAL(4)/GHCL/GNH3/A6/A4 - ONE\n20 FUNCM7 = MOLAL(1)*MOLAL(4)/GHCL/A6 - ONE\nC\n RETURN\nC\nC *** END OF FUNCTION FUNCM7 *******************************************\nC\n END\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCM6\nC *** CASE M6\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; Rcr+Na >= 2.0 ; Rcr < 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : CaSO4, K2SO4, NA2SO4\nC 4. Completely dissolved: NH4NO3, NH4CL, NANO3, NACL, MgSO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCM6\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n CALAOU = .TRUE.\n CHI11 = MIN (W(6), W(2)) ! CCASO4\n SO4FR = MAX(W(2)-CHI11, ZERO)\n CAFR = MAX(W(6)-CHI11, ZERO)\n CHI9 = MIN (0.5D0*W(7), SO4FR) ! CK2S04\n FRK = MAX(W(7)-2.D0*CHI9, ZERO)\n SO4FR = MAX(SO4FR-CHI9, ZERO)\n CHI10 = MIN (W(8), SO4FR) ! CMGSO4\n FRMG = MAX(W(8)-CHI10, ZERO)\n SO4FR = MAX(SO4FR-CHI10, ZERO)\n CHI1 = MAX (SO4FR,ZERO) ! CNA2SO4\n CHI2 = ZERO ! CNH42S4\n CHI3 = ZERO ! CNH4CL\n FRNA = MAX (W(1)-2.D0*CHI1, ZERO)\n CHI8 = MIN (FRNA, W(4)) ! CNANO3\n CHI4 = W(3) ! NH3(g)\n CHI5 = MAX (W(4)-CHI8, ZERO) ! HNO3(g)\n CHI7 = MIN (MAX(FRNA-CHI8, ZERO), W(5)) ! CNACL\n CHI6 = MAX (W(5)-CHI7, ZERO) ! HCL(g)\nC\n PSI6LO = TINY\n PSI6HI = CHI6-TINY ! MIN(CHI6-TINY, CHI4)\nC\nC *** INITIAL VALUES FOR BISECTION ************************************\nC\n X1 = PSI6LO\n Y1 = FUNCM6 (X1)\n IF (ABS(Y1).LE.EPS .OR. CHI6.LE.TINY) GOTO 50\nC\nC *** ROOT TRACKING ; FOR THE RANGE OF HI AND LO **********************\nC\n DX = (PSI6HI-PSI6LO)/FLOAT(NDIV)\n DO 10 I=1,NDIV\n X2 = X1+DX\n Y2 = FUNCM6 (X2)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y2).LT.ZERO) GOTO 20 ! (Y1*Y2.LT.ZERO)\n X1 = X2\n Y1 = Y2\n10 CONTINUE\nC\nC *** NO SUBDIVISION WITH SOLUTION; IF ABS(Y2) 2.0) ; Rcr+Na >= 2.0 ; Rcr < 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : CaSO4, K2SO4, NA2SO4\nC 4. Completely dissolved: NH4NO3, NH4CL, NANO3, NACL, MgSO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n DOUBLE PRECISION FUNCTION FUNCM6 (X)\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n PSI6 = X\n PSI1 = CHI1\n PSI2 = ZERO\n PSI3 = ZERO\n PSI7 = CHI7\n PSI8 = CHI8\n PSI9 = ZERO\n PSI10 = CHI10\n PSI11 = ZERO\n FRST = .TRUE.\n CALAIN = .TRUE.\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A1 = XK5 *(WATER/GAMA(2))**3.0\n A4 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2.0\n A5 = XK4 *R*TEMP*(WATER/GAMA(10))**2.0\n A6 = XK3 *R*TEMP*(WATER/GAMA(11))**2.0\n A9 = XK17 *(WATER/GAMA(17))**3.0\nC A7 = XK8 *(WATER/GAMA(1))**2.0\nC A8 = XK9 *(WATER/GAMA(3))**2.0\nC A11 = XK1*WATER/GAMA(7)*(GAMA(8)/GAMA(7))**2.\nC\nC CALCULATE DISSOCIATION QUANTITIES\nC\n PSI5 = CHI5*(PSI6+PSI7) - A6/A5*PSI8*(CHI6-PSI6-PSI3)\n PSI5 = PSI5/(A6/A5*(CHI6-PSI6-PSI3) + PSI6 + PSI7)\n PSI5 = MIN(MAX(PSI5, TINY),CHI5)\nC\n IF (W(3).GT.TINY .AND. WATER.GT.TINY) THEN ! First try 3rd order soln\n BB =-(CHI4 + PSI6 + PSI5 + 1.d0/A4)\n CC = CHI4*(PSI5+PSI6)\n DD = MAX(BB*BB-4.d0*CC,ZERO)\n PSI4 =0.5d0*(-BB - SQRT(DD))\n PSI4 = MIN(MAX(PSI4,ZERO),CHI4)\n ELSE\n PSI4 = TINY\n ENDIF\nC\n IF (CHI1.GT.TINY .AND. WATER.GT.TINY) THEN !NA2SO4\n RIZ = SQRT(A9/A1)\n AA = (0.5D0*RIZ*(PSI7+PSI8)+PSI10+(1.D0+RIZ)*(PSI7+PSI8))\n & /(1.D0+RIZ)\n BB = ((PSI7+PSI8)*(0.5D0*RIZ*(PSI7+PSI8)+PSI10)+0.25D0*\n & (PSI7+PSI8)**2.0*(1.D0+RIZ))/(1.D0+RIZ)\n CC = (0.25D0*(PSI7+PSI8)**2.0*(0.5D0*RIZ*(PSI7+PSI8)+PSI10)\n & -A1/4.D0)/(1.D0+RIZ)\nC AA = PSI7+PSI8+PSI9+PSI10\nC BB = (PSI7+PSI8)*(PSI9+PSI10)+0.25D0*(PSI7+PSI8)**2.\nC CC = ((PSI7+PSI8)**2.*(PSI9+PSI10)-A1)/4.0D0\nC\n CALL POLY3 (AA,BB,CC,PSI1,ISLV)\n IF (ISLV.EQ.0) THEN\n PSI1 = MIN (PSI1,CHI1)\n ELSE\n PSI1 = ZERO\n ENDIF\n ENDIF\nC\nC IF (CHI9.GE.TINY .AND. WATER.GT.TINY) THEN\nC PSI9 = 0.5D0*SQRT(A9/A1)*(2.0D0*PSI1+PSI7+PSI8)\nC PSI9 = MAX (MIN (PSI9,CHI9), ZERO)\nC ELSE\nC PSI9 = ZERO\nC ENDIF\nC\n IF (CHI9.GT.TINY .AND. WATER.GT.TINY) THEN !K2SO4\n CALL POLY3 (PSI1+PSI10,ZERO,-A9/4.D0, PSI9, ISLV)\n IF (ISLV.EQ.0) THEN\n PSI9 = MIN (PSI9,CHI9)\n ELSE\n PSI9 = ZERO\n ENDIF\n ENDIF\nC\nC *** CALCULATE SPECIATION ********************************************\nC\n MOLAL (2) = PSI8 + PSI7 + 2.D0*PSI1 ! NAI\n MOLAL (3) = PSI4 ! NH4I\n MOLAL (4) = PSI6 + PSI7 ! CLI\n MOLAL (5) = PSI2 + PSI1 + PSI9 + PSI10 ! SO4I\n MOLAL (6) = ZERO ! HSO4I\n MOLAL (7) = PSI5 + PSI8 ! NO3I\n MOLAL (8) = PSI11 ! CAI\n MOLAL (9) = 2.D0*PSI9 ! KI\n MOLAL (10)= PSI10 ! MGI\nC\n SMIN = 2.d0*MOLAL(5)+MOLAL(7)+MOLAL(4)-MOLAL(2)-MOLAL(3)\n & - MOLAL(9) - 2.D0*MOLAL(10)\n CALL CALCPH (SMIN, HI, OHI)\n MOLAL (1) = HI\nC\n GNH3 = MAX(CHI4 - PSI4, TINY)\n GHNO3 = MAX(CHI5 - PSI5, TINY)\n GHCL = MAX(CHI6 - PSI6, TINY)\nC\n CNH42S4 = ZERO\n CNH4NO3 = ZERO\n CNACL = ZERO\n CNANO3 = ZERO\n CNA2SO4 = MAX(CHI1 - PSI1, ZERO)\n CK2SO4 = MAX(CHI9 - PSI9, ZERO)\n CMGSO4 = ZERO\n CCASO4 = CHI11\nC\n CALL CALCMR ! Water content\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nC\nC *** CALCULATE FUNCTION VALUE FOR OUTER LOOP ***************************\nC\nC20 FUNCM6 = MOLAL(3)*MOLAL(4)/GHCL/GNH3/A6/A4 - ONE\n20 FUNCM6 = MOLAL(1)*MOLAL(4)/GHCL/A6 - ONE\nC\n RETURN\nC\nC *** END OF FUNCTION FUNCM6 *******************************************\nC\n END\n\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCM5\nC *** CASE M5\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; Rcr+Na >= 2.0 ; Rcr < 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : CaSO4, K2SO4, NA2SO4, MGSO4\nC 4. Completely dissolved: NH4NO3, NH4CL, NANO3, NACL\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCM5\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n CALAOU = .TRUE.\n CHI11 = MIN (W(6), W(2)) ! CCASO4\n SO4FR = MAX(W(2)-CHI11, ZERO)\n CAFR = MAX(W(6)-CHI11, ZERO)\n CHI9 = MIN (0.5D0*W(7), SO4FR) ! CK2S04\n FRK = MAX(W(7)-2.D0*CHI9, ZERO)\n SO4FR = MAX(SO4FR-CHI9, ZERO)\n CHI10 = MIN (W(8), SO4FR) ! CMGSO4\n FRMG = MAX(W(8)-CHI10, ZERO)\n SO4FR = MAX(SO4FR-CHI10, ZERO)\n CHI1 = MAX (SO4FR,ZERO) ! CNA2SO4\n CHI2 = ZERO ! CNH42S4\n CHI3 = ZERO ! CNH4CL\n FRNA = MAX (W(1)-2.D0*CHI1, ZERO)\n CHI8 = MIN (FRNA, W(4)) ! CNANO3\n CHI4 = W(3) ! NH3(g)\n CHI5 = MAX (W(4)-CHI8, ZERO) ! HNO3(g)\n CHI7 = MIN (MAX(FRNA-CHI8, ZERO), W(5)) ! CNACL\n CHI6 = MAX (W(5)-CHI7, ZERO) ! HCL(g)\nC\n PSI6LO = TINY\n PSI6HI = CHI6-TINY ! MIN(CHI6-TINY, CHI4)\nC\nC *** INITIAL VALUES FOR BISECTION ************************************\nC\n X1 = PSI6LO\n Y1 = FUNCM5 (X1)\n IF (ABS(Y1).LE.EPS .OR. CHI6.LE.TINY) GOTO 50\nC\nC *** ROOT TRACKING ; FOR THE RANGE OF HI AND LO **********************\nC\n DX = (PSI6HI-PSI6LO)/FLOAT(NDIV)\n DO 10 I=1,NDIV\n X2 = X1+DX\n Y2 = FUNCM5 (X2)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y2).LT.ZERO) GOTO 20 ! (Y1*Y2.LT.ZERO)\n X1 = X2\n Y1 = Y2\n10 CONTINUE\nC\nC *** NO SUBDIVISION WITH SOLUTION; IF ABS(Y2) 2.0) ; Rcr+Na >= 2.0 ; Rcr < 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : CaSO4, K2SO4, NA2SO4, MGSO4\nC 4. Completely dissolved: NH4NO3, NH4CL, NANO3, NACL\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n DOUBLE PRECISION FUNCTION FUNCM5 (X)\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n PSI6 = X\n PSI1 = CHI1\n PSI2 = ZERO\n PSI3 = ZERO\n PSI7 = CHI7\n PSI8 = CHI8\n PSI9 = ZERO\n PSI10 = CHI10\n PSI11 = ZERO\n FRST = .TRUE.\n CALAIN = .TRUE.\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A1 = XK5 *(WATER/GAMA(2))**3.0\n A4 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2.0\n A5 = XK4 *R*TEMP*(WATER/GAMA(10))**2.0\n A6 = XK3 *R*TEMP*(WATER/GAMA(11))**2.0\n A9 = XK17 *(WATER/GAMA(17))**3.0\nC A7 = XK8 *(WATER/GAMA(1))**2.0\nC A8 = XK9 *(WATER/GAMA(3))**2.0\nC A11 = XK1*WATER/GAMA(7)*(GAMA(8)/GAMA(7))**2.\nC\nC CALCULATE DISSOCIATION QUANTITIES\nC\n PSI5 = CHI5*(PSI6+PSI7) - A6/A5*PSI8*(CHI6-PSI6-PSI3)\n PSI5 = PSI5/(A6/A5*(CHI6-PSI6-PSI3) + PSI6 + PSI7)\n PSI5 = MIN(MAX(PSI5, TINY),CHI5)\nC\n IF (W(3).GT.TINY .AND. WATER.GT.TINY) THEN ! First try 3rd order soln\n BB =-(CHI4 + PSI6 + PSI5 + 1.d0/A4)\n CC = CHI4*(PSI5+PSI6)\n DD = MAX(BB*BB-4.d0*CC,ZERO)\n PSI4 =0.5d0*(-BB - SQRT(DD))\n PSI4 = MIN(MAX(PSI4,ZERO),CHI4)\n ELSE\n PSI4 = TINY\n ENDIF\nC\n IF (CHI1.GT.TINY .AND. WATER.GT.TINY) THEN !NA2SO4\n RIZ = SQRT(A9/A1)\n AA = (0.5D0*RIZ*(PSI7+PSI8)+PSI10+(1.D0+RIZ)*(PSI7+PSI8))\n & /(1.D0+RIZ)\n BB = ((PSI7+PSI8)*(0.5D0*RIZ*(PSI7+PSI8)+PSI10)+0.25D0*\n & (PSI7+PSI8)**2.0*(1.D0+RIZ))/(1.D0+RIZ)\n CC = (0.25D0*(PSI7+PSI8)**2.0*(0.5D0*RIZ*(PSI7+PSI8)+PSI10)\n & -A1/4.D0)/(1.D0+RIZ)\nC AA = PSI7+PSI8+PSI9+PSI10\nC BB = (PSI7+PSI8)*(PSI9+PSI10)+0.25D0*(PSI7+PSI8)**2.\nC CC = ((PSI7+PSI8)**2.*(PSI9+PSI10)-A1)/4.0D0\nC\n CALL POLY3 (AA,BB,CC,PSI1,ISLV)\n IF (ISLV.EQ.0) THEN\n PSI1 = MIN (PSI1,CHI1)\n ELSE\n PSI1 = ZERO\n ENDIF\n ENDIF\nC\n IF (CHI9.GE.TINY .AND. WATER.GT.TINY) THEN\n PSI9 = 0.5D0*SQRT(A9/A1)*(2.0D0*PSI1+PSI7+PSI8)\n PSI9 = MAX (MIN (PSI9,CHI9), ZERO)\n ELSE\n PSI9 = ZERO\n ENDIF\nC\nC IF (CHI9.GT.TINY .AND. WATER.GT.TINY) THEN !K2SO4\nC CALL POLY3 (PSI1+PSI10,ZERO,-A9/4.D0, PSI9, ISLV)\nC IF (ISLV.EQ.0) THEN\nC PSI9 = MIN (PSI9,CHI9)\nC ELSE\nC PSI9 = ZERO\nC ENDIF\nC ENDIF\nC\nC *** CALCULATE SPECIATION ********************************************\nC\n MOLAL (2) = PSI8 + PSI7 + 2.D0*PSI1 ! NAI\n MOLAL (3) = PSI4 ! NH4I\n MOLAL (4) = PSI6 + PSI7 ! CLI\n MOLAL (5) = PSI2 + PSI1 + PSI9 + PSI10 ! SO4I\n MOLAL (6) = ZERO ! HSO4I\n MOLAL (7) = PSI5 + PSI8 ! NO3I\n MOLAL (8) = PSI11 ! CAI\n MOLAL (9) = 2.D0*PSI9 ! KI\n MOLAL (10)= PSI10 ! MGI\nC\n SMIN = 2.d0*MOLAL(5)+MOLAL(7)+MOLAL(4)-MOLAL(2)-MOLAL(3)\n & - MOLAL(9) - 2.D0*MOLAL(10)\n CALL CALCPH (SMIN, HI, OHI)\n MOLAL (1) = HI\nC\n GNH3 = MAX(CHI4 - PSI4, TINY)\n GHNO3 = MAX(CHI5 - PSI5, TINY)\n GHCL = MAX(CHI6 - PSI6, TINY)\nC\n CNH42S4 = ZERO\n CNH4NO3 = ZERO\n CNACL = ZERO\n CNANO3 = ZERO\n CNA2SO4 = MAX(CHI1 - PSI1, ZERO)\n CK2SO4 = MAX(CHI9 - PSI9, ZERO)\n CMGSO4 = ZERO\n CCASO4 = CHI11\nC\n CALL CALCMR ! Water content\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nC\nC *** CALCULATE FUNCTION VALUE FOR OUTER LOOP ***************************\nC\nC20 FUNCM5 = MOLAL(3)*MOLAL(4)/GHCL/GNH3/A6/A4 - ONE\n20 FUNCM5 = MOLAL(1)*MOLAL(4)/GHCL/A6 - ONE\nC\n RETURN\nC\nC *** END OF FUNCTION FUNCM5 *******************************************\nC\n END\n\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCM4\nC *** CASE M4\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; Rcr+Na >= 2.0 ; Rcr < 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : CaSO4, K2SO4, NA2SO4, MGSO4, NH4CL\nC 4. Completely dissolved: NH4NO3, NANO3, NACL\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCM4\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** REGIME DEPENDS ON THE EXISTANCE OF NITRATES ***********************\nC\n IF (W(4).LE.TINY .AND. W(5).LE.TINY) THEN\n SCASE = 'M4 ; SUBCASE 1'\n CALL CALCM1A\n SCASE = 'M4 ; SUBCASE 1'\n RETURN\n ENDIF\nC\nC *** SETUP PARAMETERS ************************************************\nC\n CALAOU = .TRUE.\n CHI11 = MIN (W(6), W(2)) ! CCASO4\n SO4FR = MAX(W(2)-CHI11, ZERO)\n CAFR = MAX(W(6)-CHI11, ZERO)\n CHI9 = MIN (0.5D0*W(7), SO4FR) ! CK2S04\n FRK = MAX(W(7)-2.D0*CHI9, ZERO)\n SO4FR = MAX(SO4FR-CHI9, ZERO)\n CHI10 = MIN (W(8), SO4FR) ! CMGSO4\n FRMG = MAX(W(8)-CHI10, ZERO)\n SO4FR = MAX(SO4FR-CHI10, ZERO)\n CHI1 = MAX (SO4FR,ZERO) ! CNA2SO4\n CHI2 = ZERO ! CNH42S4\n CHI3 = ZERO ! CNH4CL\n FRNA = MAX (W(1)-2.D0*CHI1, ZERO)\n CHI8 = MIN (FRNA, W(4)) ! CNANO3\n CHI4 = W(3) ! NH3(g)\n CHI5 = MAX (W(4)-CHI8, ZERO) ! HNO3(g)\n CHI7 = MIN (MAX(FRNA-CHI8, ZERO), W(5)) ! CNACL\n CHI6 = MAX (W(5)-CHI7, ZERO) ! HCL(g)\nC\n PSI6LO = TINY\n PSI6HI = CHI6-TINY ! MIN(CHI6-TINY, CHI4)\nC\nC *** INITIAL VALUES FOR BISECTION ************************************\nC\n X1 = PSI6LO\n Y1 = FUNCM4 (X1)\n IF (ABS(Y1).LE.EPS .OR. CHI6.LE.TINY) GOTO 50\nC\nC *** ROOT TRACKING ; FOR THE RANGE OF HI AND LO **********************\nC\n DX = (PSI6HI-PSI6LO)/FLOAT(NDIV)\n DO 10 I=1,NDIV\n X2 = X1+DX\n Y2 = FUNCM4 (X2)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y2).LT.ZERO) GOTO 20 ! (Y1*Y2.LT.ZERO)\n X1 = X2\n Y1 = Y2\n10 CONTINUE\nC\nC *** NO SUBDIVISION WITH SOLUTION; IF ABS(Y2) 2.0) ; Rcr+Na >= 2.0 ; Rcr < 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : CaSO4, K2SO4, NA2SO4, MGSO4, NH4CL\nC 4. Completely dissolved: NH4NO3, NANO3, NACL\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n DOUBLE PRECISION FUNCTION FUNCM4 (X)\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n PSI6 = X\n PSI1 = CHI1\n PSI2 = ZERO\n PSI3 = ZERO\n PSI7 = CHI7\n PSI8 = CHI8\n PSI9 = ZERO\n PSI10 = CHI10\n PSI11 = ZERO\n FRST = .TRUE.\n CALAIN = .TRUE.\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A1 = XK5 *(WATER/GAMA(2))**3.0\n A3 = XK6 /(R*TEMP*R*TEMP)\n A4 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2.0\n A5 = XK4 *R*TEMP*(WATER/GAMA(10))**2.0\n A6 = XK3 *R*TEMP*(WATER/GAMA(11))**2.0\n A9 = XK17 *(WATER/GAMA(17))**3.0\nC A7 = XK8 *(WATER/GAMA(1))**2.0\nC A8 = XK9 *(WATER/GAMA(3))**2.0\nC A11 = XK1*WATER/GAMA(7)*(GAMA(8)/GAMA(7))**2.\nC\nC CALCULATE DISSOCIATION QUANTITIES\nC\n PSI5 = CHI5*(PSI6+PSI7) - A6/A5*PSI8*(CHI6-PSI6-PSI3)\n PSI5 = PSI5/(A6/A5*(CHI6-PSI6-PSI3) + PSI6 + PSI7)\n PSI5 = MIN(MAX(PSI5, TINY),CHI5)\nC\n IF (W(3).GT.TINY .AND. WATER.GT.TINY) THEN ! First try 3rd order soln\n BB =-(CHI4 + PSI6 + PSI5 + 1.d0/A4)\n CC = CHI4*(PSI5+PSI6)\n DD = MAX(BB*BB-4.d0*CC,ZERO)\n PSI4 =0.5d0*(-BB - SQRT(DD))\n PSI4 = MIN(MAX(PSI4,TINY),CHI4)\n ELSE\n PSI4 = TINY\n ENDIF\nC\n IF (CHI1.GT.TINY .AND. WATER.GT.TINY) THEN !NA2SO4\n RIZ = SQRT(A9/A1)\n AA = (0.5D0*RIZ*(PSI7+PSI8)+PSI10+(1.D0+RIZ)*(PSI7+PSI8))\n & /(1.D0+RIZ)\n BB = ((PSI7+PSI8)*(0.5D0*RIZ*(PSI7+PSI8)+PSI10)+0.25D0*\n & (PSI7+PSI8)**2.0*(1.D0+RIZ))/(1.D0+RIZ)\n CC = (0.25D0*(PSI7+PSI8)**2.0*(0.5D0*RIZ*(PSI7+PSI8)+PSI10)\n & -A1/4.D0)/(1.D0+RIZ)\nC AA = PSI7+PSI8+PSI9+PSI10\nC BB = (PSI7+PSI8)*(PSI9+PSI10)+0.25D0*(PSI7+PSI8)**2.\nC CC = ((PSI7+PSI8)**2.*(PSI9+PSI10)-A1)/4.0D0\nC\n CALL POLY3 (AA,BB,CC,PSI1,ISLV)\n IF (ISLV.EQ.0) THEN\n PSI1 = MIN (PSI1,CHI1)\n ELSE\n PSI1 = ZERO\n ENDIF\n ENDIF\nC\n IF (CHI9.GE.TINY .AND. WATER.GT.TINY) THEN\n PSI9 = 0.5D0*SQRT(A9/A1)*(2.0D0*PSI1+PSI7+PSI8)\n PSI9 = MAX (MIN (PSI9,CHI9), ZERO)\n ELSE\n PSI9 = ZERO\n ENDIF\nC\nC IF (CHI9.GT.TINY .AND. WATER.GT.TINY) THEN !K2SO4\nC CALL POLY3 (PSI1+PSI10,ZERO,-A9/4.D0, PSI9, ISLV)\nC IF (ISLV.EQ.0) THEN\nC PSI9 = MIN (PSI9,CHI9)\nC ELSE\nC PSI9 = ZERO\nC ENDIF\nC ENDIF\nC\nC *** CALCULATE SPECIATION ********************************************\nC\n MOLAL (2) = PSI8 + PSI7 + 2.D0*PSI1 ! NAI\n MOLAL (3) = PSI4 ! NH4I\n MOLAL (4) = PSI6 + PSI7 ! CLI\n MOLAL (5) = PSI2 + PSI1 + PSI9 + PSI10 ! SO4I\n MOLAL (6) = ZERO ! HSO4I\n MOLAL (7) = PSI5 + PSI8 ! NO3I\n MOLAL (8) = PSI11 ! CAI\n MOLAL (9) = 2.D0*PSI9 ! KI\n MOLAL (10)= PSI10 ! MGI\nC\n SMIN = 2.d0*MOLAL(5)+MOLAL(7)+MOLAL(4)-MOLAL(2)-MOLAL(3)\n & - MOLAL(9) - 2.D0*MOLAL(10)\n CALL CALCPH (SMIN, HI, OHI)\n MOLAL (1) = HI\nC\n GNH3 = MAX(CHI4 - PSI4, TINY)\n GHNO3 = MAX(CHI5 - PSI5, TINY)\n GHCL = MAX(CHI6 - PSI6, TINY)\nC\n CNH42S4 = ZERO\n CNH4NO3 = ZERO\n CNACL = ZERO\n CNANO3 = ZERO\n CNA2SO4 = MAX(CHI1 - PSI1, ZERO)\n CK2SO4 = MAX(CHI9 - PSI9, ZERO)\n CMGSO4 = ZERO\n CCASO4 = CHI11\nC\nC *** NH4Cl(s) calculations\nC\n A3 = XK6 /(R*TEMP*R*TEMP)\n IF (GNH3*GHCL.GT.A3) THEN\n DELT = MIN(GNH3, GHCL)\n BB = -(GNH3+GHCL)\n CC = GNH3*GHCL-A3\n DD = BB*BB - 4.D0*CC\n PSI31 = 0.5D0*(-BB + SQRT(DD))\n PSI32 = 0.5D0*(-BB - SQRT(DD))\n IF (DELT-PSI31.GT.ZERO .AND. PSI31.GT.ZERO) THEN\n PSI3 = PSI31\n ELSEIF (DELT-PSI32.GT.ZERO .AND. PSI32.GT.ZERO) THEN\n PSI3 = PSI32\n ELSE\n PSI3 = ZERO\n ENDIF\n ELSE\n PSI3 = ZERO\n ENDIF\n PSI3 = MAX (MIN(MIN(PSI3,CHI4-PSI4),CHI6-PSI6), ZERO)\nC\nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n GNH3 = MAX(GNH3 - PSI3, TINY)\n GHCL = MAX(GHCL - PSI3, TINY)\n CNH4CL = PSI3\nC\n CALL CALCMR ! Water content\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nC\nC *** CALCULATE FUNCTION VALUE FOR OUTER LOOP ***************************\nC\nC20 FUNCM4 = MOLAL(3)*MOLAL(4)/GHCL/GNH3/A6/A4 - ONE\n20 FUNCM4 = MOLAL(1)*MOLAL(4)/GHCL/A6 - ONE\nC\n RETURN\nC\nC *** END OF FUNCTION FUNCM4 *******************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCM3\nC *** CASE M3\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; Rcr+Na >= 2.0 ; Rcr < 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : CaSO4, K2SO4, NA2SO4, MGSO4, NH4CL, NACL\nC 4. Completely dissolved: NH4NO3, NANO3\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCM3\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** REGIME DEPENDS ON THE EXISTANCE OF NITRATES ***********************\nC\n IF (W(4).LE.TINY) THEN ! NO3 NOT EXIST, WATER NOT POSSIBLE\n SCASE = 'M3 ; SUBCASE 1'\n CALL CALCM1A\n SCASE = 'M3 ; SUBCASE 1'\n RETURN\n ENDIF\nC\nC *** SETUP PARAMETERS ************************************************\nC\n CALAOU = .TRUE.\n CHI11 = MIN (W(6), W(2)) ! CCASO4\n SO4FR = MAX(W(2)-CHI11, ZERO)\n CAFR = MAX(W(6)-CHI11, ZERO)\n CHI9 = MIN (0.5D0*W(7), SO4FR) ! CK2S04\n FRK = MAX(W(7)-2.D0*CHI9, ZERO)\n SO4FR = MAX(SO4FR-CHI9, ZERO)\n CHI10 = MIN (W(8), SO4FR) ! CMGSO4\n FRMG = MAX(W(8)-CHI10, ZERO)\n SO4FR = MAX(SO4FR-CHI10, ZERO)\n CHI1 = MAX (SO4FR,ZERO) ! CNA2SO4\n CHI2 = ZERO ! CNH42S4\n CHI3 = ZERO ! CNH4CL\n FRNA = MAX (W(1)-2.D0*CHI1, ZERO)\n CHI8 = MIN (FRNA, W(4)) ! CNANO3\n CHI4 = W(3) ! NH3(g)\n CHI5 = MAX (W(4)-CHI8, ZERO) ! HNO3(g)\n CHI7 = MIN (MAX(FRNA-CHI8, ZERO), W(5)) ! CNACL\n CHI6 = MAX (W(5)-CHI7, ZERO) ! HCL(g)\nC\n PSI6LO = TINY\n PSI6HI = CHI6-TINY ! MIN(CHI6-TINY, CHI4)\nC\nC *** INITIAL VALUES FOR BISECTION ************************************\nC\n X1 = PSI6LO\n Y1 = FUNCM3 (X1)\n IF (ABS(Y1).LE.EPS .OR. CHI6.LE.TINY) GOTO 50\nC\nC *** ROOT TRACKING ; FOR THE RANGE OF HI AND LO **********************\nC\n DX = (PSI6HI-PSI6LO)/FLOAT(NDIV)\n DO 10 I=1,NDIV\n X2 = X1+DX\n Y2 = FUNCM3 (X2)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y2).LT.ZERO) GOTO 20 ! (Y1*Y2.LT.ZERO)\n X1 = X2\n Y1 = Y2\n10 CONTINUE\nC\nC *** NO SUBDIVISION WITH SOLUTION; IF ABS(Y2) 2.0) ; Rcr+Na >= 2.0 ; Rcr < 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : CaSO4, K2SO4, NA2SO4, MGSO4, NH4CL, NACL\nC 4. Completely dissolved: NH4NO3, NANO3\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n DOUBLE PRECISION FUNCTION FUNCM3 (X)\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n PSI6 = X\n PSI1 = CHI1\n PSI2 = ZERO\n PSI3 = ZERO\n PSI7 = CHI7\n PSI8 = CHI8\n PSI9 = ZERO\n PSI10 = CHI10\n PSI11 = ZERO\n FRST = .TRUE.\n CALAIN = .TRUE.\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A1 = XK5 *(WATER/GAMA(2))**3.0\n A3 = XK6 /(R*TEMP*R*TEMP)\n A4 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2.0\n A5 = XK4 *R*TEMP*(WATER/GAMA(10))**2.0\n A6 = XK3 *R*TEMP*(WATER/GAMA(11))**2.0\n A7 = XK8 *(WATER/GAMA(1))**2.0\n A9 = XK17 *(WATER/GAMA(17))**3.0\n A10 = XK23 *(WATER/GAMA(21))**2.0\nC A8 = XK9 *(WATER/GAMA(3))**2.0\nC A11 = XK1*WATER/GAMA(7)*(GAMA(8)/GAMA(7))**2.\nC\nC CALCULATE DISSOCIATION QUANTITIES\nC\n PSI5 = CHI5*(PSI6+PSI7) - A6/A5*PSI8*(CHI6-PSI6-PSI3)\n PSI5 = PSI5/(A6/A5*(CHI6-PSI6-PSI3) + PSI6 + PSI7)\n PSI5 = MIN(MAX(PSI5, TINY),CHI5)\nC\n IF (W(3).GT.TINY .AND. WATER.GT.TINY) THEN ! First try 3rd order soln\n BB =-(CHI4 + PSI6 + PSI5 + 1.d0/A4)\n CC = CHI4*(PSI5+PSI6)\n DD = MAX(BB*BB-4.d0*CC,ZERO)\n PSI4 =0.5d0*(-BB - SQRT(DD))\n PSI4 = MIN(MAX(PSI4,TINY),CHI4)\n ELSE\n PSI4 = TINY\n ENDIF\nC\nC IF (CHI7.GT.TINY .AND. WATER.GT.TINY) THEN ! NACL DISSOLUTION\nC VITA = 2.D0*PSI1+PSI8+PSI6 ! AN DE DOULEPSEI KALA VGALE PSI1 APO DW\nC GKAMA= PSI6*(2.D0*PSI1+PSI8)-A7\nC DIAK = MAX(VITA**2.0 - 4.0D0*GKAMA,ZERO)\nC PSI7 = 0.5D0*( -VITA + SQRT(DIAK) )\nC PSI7 = MAX(MIN(PSI7, CHI7), ZERO)\nC ENDIF\nC\n IF (CHI7.GT.TINY .AND. WATER.GT.TINY) THEN ! NACL DISSOLUTION\n DIAK = (PSI8-PSI6)**2.D0 + 4.D0*A7\n PSI7 = 0.5D0*( -(PSI8+PSI6) + SQRT(DIAK) )\n PSI7 = MAX(MIN(PSI7, CHI7), ZERO)\n ENDIF\nCC\nC\n IF (CHI1.GT.TINY .AND. WATER.GT.TINY) THEN !NA2SO4\n RIZ = SQRT(A9/A1)\n AA = (0.5D0*RIZ*(PSI7+PSI8)+PSI10+(1.D0+RIZ)*(PSI7+PSI8))\n & /(1.D0+RIZ)\n BB = ((PSI7+PSI8)*(0.5D0*RIZ*(PSI7+PSI8)+PSI10)+0.25D0*\n & (PSI7+PSI8)**2.0*(1.D0+RIZ))/(1.D0+RIZ)\n CC = (0.25D0*(PSI7+PSI8)**2.0*(0.5D0*RIZ*(PSI7+PSI8)+PSI10)\n & -A1/4.D0)/(1.D0+RIZ)\nC AA = PSI7+PSI8+PSI9+PSI10\nC BB = (PSI7+PSI8)*(PSI9+PSI10)+0.25D0*(PSI7+PSI8)**2.\nC CC = ((PSI7+PSI8)**2.*(PSI9+PSI10)-A1)/4.0D0\nC\n CALL POLY3 (AA,BB,CC,PSI1,ISLV)\n IF (ISLV.EQ.0) THEN\n PSI1 = MIN (PSI1,CHI1)\n ELSE\n PSI1 = ZERO\n ENDIF\n ENDIF\nC\n IF (CHI9.GE.TINY) THEN\n PSI9 = 0.5D0*SQRT(A9/A1)*(2.0D0*PSI1+PSI7+PSI8)\n PSI9 = MAX (MIN (PSI9,CHI9), ZERO)\n ELSE\n PSI9 = ZERO\n ENDIF\nC\nC IF (CHI9.GT.TINY .AND. WATER.GT.TINY) THEN !K2SO4\nC CALL POLY3 (PSI1+PSI10,ZERO,-A9/4.D0, PSI9, ISLV)\nC IF (ISLV.EQ.0) THEN\nC PSI9 = MIN (PSI9,CHI9)\nC ELSE\nC PSI9 = ZERO\nC ENDIF\nC ENDIF\nC\nC *** CALCULATE SPECIATION ********************************************\nC\n MOLAL (2) = PSI8 + PSI7 + 2.D0*PSI1 ! NAI\n MOLAL (3) = PSI4 ! NH4I\n MOLAL (4) = PSI6 + PSI7 ! CLI\n MOLAL (5) = PSI2 + PSI1 + PSI9 + PSI10 ! SO4I\n MOLAL (6) = ZERO ! HSO4I\n MOLAL (7) = PSI5 + PSI8 ! NO3I\n MOLAL (8) = PSI11 ! CAI\n MOLAL (9) = 2.D0*PSI9 ! KI\n MOLAL (10)= PSI10 ! MGI\nC\n SMIN = 2.d0*MOLAL(5)+MOLAL(7)+MOLAL(4)-MOLAL(2)-MOLAL(3)\n & - MOLAL(9) - 2.D0*MOLAL(10)\n CALL CALCPH (SMIN, HI, OHI)\n MOLAL (1) = HI\nC\n GNH3 = MAX(CHI4 - PSI4, TINY)\n GHNO3 = MAX(CHI5 - PSI5, TINY)\n GHCL = MAX(CHI6 - PSI6, TINY)\nC\n CNH42S4 = ZERO\n CNH4NO3 = ZERO\n CNACL = MAX(CHI7 - PSI7, ZERO)\n CNANO3 = ZERO\n CNA2SO4 = MAX(CHI1 - PSI1, ZERO)\n CK2SO4 = MAX(CHI9 - PSI9, ZERO)\n CMGSO4 = ZERO\n CCASO4 = CHI11\nC\nC *** NH4Cl(s) calculations\nC\n A3 = XK6 /(R*TEMP*R*TEMP)\n IF (GNH3*GHCL.GT.A3) THEN\n DELT = MIN(GNH3, GHCL)\n BB = -(GNH3+GHCL)\n CC = GNH3*GHCL-A3\n DD = BB*BB - 4.D0*CC\n PSI31 = 0.5D0*(-BB + SQRT(DD))\n PSI32 = 0.5D0*(-BB - SQRT(DD))\n IF (DELT-PSI31.GT.ZERO .AND. PSI31.GT.ZERO) THEN\n PSI3 = PSI31\n ELSEIF (DELT-PSI32.GT.ZERO .AND. PSI32.GT.ZERO) THEN\n PSI3 = PSI32\n ELSE\n PSI3 = ZERO\n ENDIF\n ELSE\n PSI3 = ZERO\n ENDIF\n PSI3 = MAX (MIN(MIN(PSI3,CHI4-PSI4),CHI6-PSI6), ZERO)\nC\nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n GNH3 = MAX(GNH3 - PSI3, TINY)\n GHCL = MAX(GHCL - PSI3, TINY)\n CNH4CL = PSI3\nC\n CALL CALCMR ! Water content\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nC\nC *** CALCULATE FUNCTION VALUE FOR OUTER LOOP ***************************\nC\nC20 FUNCM3 = MOLAL(3)*MOLAL(4)/GHCL/GNH3/A6/A4 - ONE\n20 FUNCM3 = MOLAL(1)*MOLAL(4)/GHCL/A6 - ONE\nC\n RETURN\nC\nC *** END OF FUNCTION FUNCM3 *******************************************\nC\n END\n\n\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCM2\nC *** CASE M2\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; Rcr+Na >= 2.0 ; Rcr < 2)\nC 2. SOLID & LIQUID AEROSOL POSSIBLE\nC 3. SOLIDS POSSIBLE : CaSO4, K2SO4, NA2SO4, MGSO4, NH4CL, NACL, NANO3\nC\nC THERE ARE THREE REGIMES IN THIS CASE:\nC 1. NH4NO3(s) POSSIBLE. LIQUID & SOLID AEROSOL (SUBROUTINE CALCH2A)\nC 2. NH4NO3(s) NOT POSSIBLE, AND RH < MDRH. SOLID AEROSOL ONLY\nC 3. NH4NO3(s) NOT POSSIBLE, AND RH >= MDRH. (MDRH REGION)\nC\nC REGIMES 2. AND 3. ARE CONSIDERED TO BE THE SAME AS CASES M1A, M2B\nC RESPECTIVELY (BECAUSE MDRH POINTS COINCIDE).\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCM2\n INCLUDE 'isrpia.inc'\n EXTERNAL CALCM1A, CALCM3\nC\nC *** REGIME DEPENDS ON THE EXISTANCE OF NITRATES ***********************\nC\n CALL CALCM1A\nC\n IF (CNH4NO3.GT.TINY) THEN ! NO3 EXISTS, WATER POSSIBLE\n SCASE = 'M2 ; SUBCASE 1'\n CALL CALCM2A\n SCASE = 'M2 ; SUBCASE 1'\n ELSE ! NO3 NON EXISTANT, WATER NOT POSSIBLE\n SCASE = 'M2 ; SUBCASE 1'\n CALL CALCM1A\n SCASE = 'M2 ; SUBCASE 1'\n ENDIF\nC\n IF (WATER.LE.TINY .AND. RH.LT.DRMM2) THEN ! DRY AEROSOL\n SCASE = 'M2 ; SUBCASE 2'\nC\n ELSEIF (WATER.LE.TINY .AND. RH.GE.DRMM2) THEN ! MDRH OF M2\n SCASE = 'M2 ; SUBCASE 3'\n CALL CALCMDRH2 (RH, DRMM2, DRNANO3, CALCM1A, CALCM3)\n SCASE = 'M2 ; SUBCASE 3'\n ENDIF\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCM2 ******************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCM2A\nC *** CASE M2A\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; Rcr+Na >= 2.0 ; Rcr < 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : CaSO4, K2SO4, NA2SO4, MGSO4, NH4CL, NACL, NANO3\nC 4. Completely dissolved: NH4NO3\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCM2A\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n CALAOU = .TRUE.\n CHI11 = MIN (W(6), W(2)) ! CCASO4\n SO4FR = MAX(W(2)-CHI11, ZERO)\n CAFR = MAX(W(6)-CHI11, ZERO)\n CHI9 = MIN (0.5D0*W(7), SO4FR) ! CK2S04\n FRK = MAX(W(7)-2.D0*CHI9, ZERO)\n SO4FR = MAX(SO4FR-CHI9, ZERO)\n CHI10 = MIN (W(8), SO4FR) ! CMGSO4\n FRMG = MAX(W(8)-CHI10, ZERO)\n SO4FR = MAX(SO4FR-CHI10, ZERO)\n CHI1 = MAX (SO4FR,ZERO) ! CNA2SO4\n CHI2 = ZERO ! CNH42S4\n CHI3 = ZERO ! CNH4CL\n FRNA = MAX (W(1)-2.D0*CHI1, ZERO)\n CHI8 = MIN (FRNA, W(4)) ! CNANO3\n CHI4 = W(3) ! NH3(g)\n CHI5 = MAX (W(4)-CHI8, ZERO) ! HNO3(g)\n CHI7 = MIN (MAX(FRNA-CHI8, ZERO), W(5)) ! CNACL\n CHI6 = MAX (W(5)-CHI7, ZERO) ! HCL(g)\nC\n PSI6LO = TINY\n PSI6HI = CHI6-TINY ! MIN(CHI6-TINY, CHI4)\nC\nC *** INITIAL VALUES FOR BISECTION ************************************\nC\n X1 = PSI6LO\n Y1 = FUNCM2A (X1)\n IF (ABS(Y1).LE.EPS .OR. CHI6.LE.TINY) GOTO 50\nC\nC *** ROOT TRACKING ; FOR THE RANGE OF HI AND LO **********************\nC\n DX = (PSI6HI-PSI6LO)/FLOAT(NDIV)\n DO 10 I=1,NDIV\n X2 = X1+DX\n Y2 = FUNCM2A (X2)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y2).LT.ZERO) GOTO 20 ! (Y1*Y2.LT.ZERO)\n X1 = X2\n Y1 = Y2\n10 CONTINUE\nC\nC *** NO SUBDIVISION WITH SOLUTION; IF ABS(Y2) 2.0) ; Rcr+Na >= 2.0 ; Rcr < 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : CaSO4, K2SO4, NA2SO4, MGSO4, NH4CL, NACL, NANO3\nC 4. Completely dissolved: NH4NO3\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n DOUBLE PRECISION FUNCTION FUNCM2A (X)\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n PSI6 = X\n PSI1 = CHI1\n PSI2 = ZERO\n PSI3 = ZERO\n PSI7 = CHI7\n PSI8 = CHI8\n PSI9 = ZERO\n PSI10 = CHI10\n PSI11 = ZERO\n FRST = .TRUE.\n CALAIN = .TRUE.\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A1 = XK5 *(WATER/GAMA(2))**3.0\n A3 = XK6 /(R*TEMP*R*TEMP)\n A4 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2.0\n A5 = XK4 *R*TEMP*(WATER/GAMA(10))**2.0\n A6 = XK3 *R*TEMP*(WATER/GAMA(11))**2.0\n A7 = XK8 *(WATER/GAMA(1))**2.0\n A8 = XK9 *(WATER/GAMA(3))**2.0\n A9 = XK17 *(WATER/GAMA(17))**3.0\n A64 = (XK3*XK2/XKW)*(GAMA(10)/GAMA(5)/GAMA(11))**2.0\n A64 = A64*(R*TEMP*WATER)**2.0\nC A11 = XK1*WATER/GAMA(7)*(GAMA(8)/GAMA(7))**2.\nC\nC CALCULATE DISSOCIATION QUANTITIES\nC\n PSI5 = CHI5*(PSI6+PSI7) - A6/A5*PSI8*(CHI6-PSI6-PSI3)\n PSI5 = PSI5/(A6/A5*(CHI6-PSI6-PSI3) + PSI6 + PSI7)\n PSI5 = MIN(MAX(PSI5, TINY),CHI5)\nC\n IF (W(3).GT.TINY .AND. WATER.GT.TINY) THEN ! First try 3rd order soln\n BB =-(CHI4 + PSI6 + PSI5 + 1.d0/A4)\n CC = CHI4*(PSI5+PSI6)\n DD = MAX(BB*BB-4.d0*CC,ZERO)\n PSI4 =0.5d0*(-BB - SQRT(DD))\n PSI4 = MIN(MAX(PSI4,TINY),CHI4)\n ELSE\n PSI4 = TINY\n ENDIF\nC\nC IF (CHI7.GT.TINY .AND. WATER.GT.TINY) THEN ! NACL DISSOLUTION\nC VITA = 2.D0*PSI1+PSI8+PSI6\nC GKAMA= PSI6*(2.D0*PSI1+PSI8)-A7\nC DIAK = MAX(VITA**2.0 - 4.0D0*GKAMA,ZERO)\nC PSI7 = 0.5D0*( -VITA + SQRT(DIAK) )\nC PSI7 = MAX(MIN(PSI7, CHI7), ZERO)\nC ENDIF\nCC\nC IF (CHI8.GT.TINY .AND. WATER.GT.TINY) THEN ! NANO3 DISSOLUTION\nC BIT = 2.D0*PSI1+PSI7+PSI5\nC GKAM = PSI5*(2.D0*PSI1+PSI8)-A8\nC DIA = BIT**2.0 - 4.0D0*GKAM\nC PSI8 = 0.5D0*( -BIT + SQRT(DIA) )\nC PSI8 = MAX(MIN(PSI8, CHI8), ZERO)\nC ENDIF\nCC\n IF (CHI7.GT.TINY .AND. WATER.GT.TINY) THEN ! NACL DISSOLUTION\n DIAK = (PSI8-PSI6)**2.D0 + 4.D0*A7\n PSI7 = 0.5D0*( -(PSI8+PSI6) + SQRT(DIAK) )\n PSI7 = MAX(MIN(PSI7, CHI7), ZERO)\n ENDIF\nC\n IF (CHI8.GT.TINY .AND. WATER.GT.TINY) THEN ! NANO3 DISSOLUTION\n DIAK = (PSI7-PSI5)**2.D0 + 4.D0*A8\n PSI8 = 0.5D0*( -(PSI7+PSI5) + SQRT(DIAK) )\n PSI8 = MAX(MIN(PSI8, CHI8), ZERO)\n ENDIF\nC\n IF (CHI1.GT.TINY .AND. WATER.GT.TINY) THEN !NA2SO4\n RIZ = SQRT(A9/A1)\n AA = (0.5D0*RIZ*(PSI7+PSI8)+PSI10+(1.D0+RIZ)*(PSI7+PSI8))\n & /(1.D0+RIZ)\n BB = ((PSI7+PSI8)*(0.5D0*RIZ*(PSI7+PSI8)+PSI10)+0.25D0*\n & (PSI7+PSI8)**2.0*(1.D0+RIZ))/(1.D0+RIZ)\n CC = (0.25D0*(PSI7+PSI8)**2.0*(0.5D0*RIZ*(PSI7+PSI8)+PSI10)\n & -A1/4.D0)/(1.D0+RIZ)\nC\nC AA = PSI7+PSI8+PSI9+PSI10\nC BB = (PSI7+PSI8)*(PSI9+PSI10)+0.25D0*(PSI7+PSI8)**2.\nC CC = ((PSI7+PSI8)**2.*(PSI9+PSI10)-A1)/4.0D0\nCC\n CALL POLY3 (AA,BB,CC,PSI1,ISLV)\n IF (ISLV.EQ.0) THEN\n PSI1 = MIN (PSI1,CHI1)\n ELSE\n PSI1 = ZERO\n ENDIF\n ENDIF\nC\n IF (CHI9.GE.TINY .AND. WATER.GT.TINY) THEN\nC PSI9 = 0.5D0*SQRT(A9/A1)*(2.0D0*PSI1+PSI7+PSI8)\n PSI9 = 0.5D0*SQRT(A9/A1)*(2.0D0*PSI1+PSI7+PSI8)\n PSI9 = MAX (MIN (PSI9,CHI9), ZERO)\n ELSE\n PSI9 = ZERO\n ENDIF\nC\nC IF (CHI9.GT.TINY .AND. WATER.GT.TINY) THEN !K2SO4\nC CALL POLY3 (PSI1+PSI10,ZERO,-A9/4.D0, PSI9, ISLV)\nC IF (ISLV.EQ.0) THEN\nC PSI9 = MAX (MIN (PSI9,CHI9), ZERO)\nC ELSE\nC PSI9 = ZERO\nC ENDIF\nC ENDIF\nC\nC *** CALCULATE SPECIATION ********************************************\nC\n MOLAL (2) = PSI8 + PSI7 + 2.D0*PSI1 ! NAI\n MOLAL (3) = PSI4 ! NH4I\n MOLAL (4) = PSI6 + PSI7 ! CLI\n MOLAL (5) = PSI2 + PSI1 + PSI9 + PSI10 ! SO4I\n MOLAL (6) = ZERO ! HSO4I\n MOLAL (7) = PSI5 + PSI8 ! NO3I\n MOLAL (8) = PSI11 ! CAI\n MOLAL (9) = 2.D0*PSI9 ! KI\n MOLAL (10)= PSI10 ! MGI\nC\n SMIN = 2.d0*MOLAL(5)+MOLAL(7)+MOLAL(4)-MOLAL(2)-MOLAL(3)\n & - MOLAL(9) - 2.D0*MOLAL(10)\n CALL CALCPH (SMIN, HI, OHI)\n MOLAL (1) = HI\nC\n GNH3 = MAX(CHI4 - PSI4, TINY)\n GHNO3 = MAX(CHI5 - PSI5, TINY)\n GHCL = MAX(CHI6 - PSI6, TINY)\nC\n CNH42S4 = ZERO\n CNH4NO3 = ZERO\n CNACL = MAX(CHI7 - PSI7, ZERO)\n CNANO3 = MAX(CHI8 - PSI8, ZERO)\n CNA2SO4 = MAX(CHI1 - PSI1, ZERO)\n CK2SO4 = MAX(CHI9 - PSI9, ZERO)\n CMGSO4 = ZERO\n CCASO4 = CHI11\nC\nC *** NH4Cl(s) calculations\nC\n A3 = XK6 /(R*TEMP*R*TEMP)\n IF (GNH3*GHCL.GT.A3) THEN\n DELT = MIN(GNH3, GHCL)\n BB = -(GNH3+GHCL)\n CC = GNH3*GHCL-A3\n DD = BB*BB - 4.D0*CC\n PSI31 = 0.5D0*(-BB + SQRT(DD))\n PSI32 = 0.5D0*(-BB - SQRT(DD))\n IF (DELT-PSI31.GT.ZERO .AND. PSI31.GT.ZERO) THEN\n PSI3 = PSI31\n ELSEIF (DELT-PSI32.GT.ZERO .AND. PSI32.GT.ZERO) THEN\n PSI3 = PSI32\n ELSE\n PSI3 = ZERO\n ENDIF\n ELSE\n PSI3 = ZERO\n ENDIF\n PSI3 = MAX(MIN(MIN(PSI3,CHI4-PSI4),CHI6-PSI6), ZERO)\nC\nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n GNH3 = MAX(GNH3 - PSI3, TINY)\n GHCL = MAX(GHCL - PSI3, TINY)\n CNH4CL = PSI3\nC\n CALL CALCMR ! Water content\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nC\nC *** CALCULATE FUNCTION VALUE FOR OUTER LOOP ***************************\nC\nC20 FUNCM2A = MOLAL(3)*MOLAL(4)/GHCL/GNH3/A64 - ONE\n20 FUNCM2A = MOLAL(1)*MOLAL(4)/GHCL/A6 - ONE\nC\n RETURN\nC\nC *** END OF FUNCTION FUNCM2A *******************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCM1\nC *** CASE M1\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; Rcr+Na >= 2.0 ; Rcr < 2)\nC 2. SOLID AEROSOL ONLY\nC 3. SOLIDS POSSIBLE : CaSO4, K2SO4, NA2SO4, MGSO4, NH4CL, NACL, NANO3, NH4NO3\nC\nC THERE ARE TWO POSSIBLE REGIMES HERE, DEPENDING ON RELATIVE HUMIDITY:\nC 1. WHEN RH >= MDRH ; LIQUID PHASE POSSIBLE (MDRH REGION)\nC 2. WHEN RH < MDRH ; ONLY SOLID PHASE POSSIBLE (SUBROUTINE CALCH1A)\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCM1\n INCLUDE 'isrpia.inc'\n EXTERNAL CALCM1A, CALCM2A\nC\nC *** REGIME DEPENDS UPON THE AMBIENT RELATIVE HUMIDITY *****************\nC\n IF (RH.LT.DRMM1) THEN\n SCASE = 'M1 ; SUBCASE 1'\n CALL CALCM1A ! SOLID PHASE ONLY POSSIBLE\n SCASE = 'M1 ; SUBCASE 1'\n ELSE\n SCASE = 'M1 ; SUBCASE 2' ! LIQUID & SOLID PHASE POSSIBLE\n CALL CALCMDRH2 (RH, DRMM1, DRNH4NO3, CALCM1A, CALCM2A)\n SCASE = 'M1 ; SUBCASE 2'\n ENDIF\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCM1 ******************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCM1A\nC *** CASE M1A\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; Rcr+Na >= 2.0 ; Rcr < 2)\nC 2. SOLID AEROSOL ONLY\nC 3. SOLIDS POSSIBLE : CaSO4, K2SO4, NA2SO4, MGSO4, NH4CL, NACL, NANO3, NH4NO3\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\n\n SUBROUTINE CALCM1A\n INCLUDE 'isrpia.inc'\n DOUBLE PRECISION LAMDA, LAMDA1, LAMDA2, KAPA, KAPA1, KAPA2, NAFR,\n & NO3FR\nC\nC *** CALCULATE NON VOLATILE SOLIDS ***********************************\nC\n CCASO4 = MIN (W(6), W(2)) ! CCASO4\n SO4FR = MAX(W(2) - CCASO4, ZERO)\n CAFR = MAX(W(6) - CCASO4, ZERO)\n CK2SO4 = MIN (0.5D0*W(7), SO4FR) ! CK2S04\n FRK = MAX(W(7) - 2.D0*CK2SO4, ZERO)\n SO4FR = MAX(SO4FR - CK2SO4, ZERO)\n CMGSO4 = MIN (W(8), SO4FR) ! CMGSO4\n FRMG = MAX(W(8) - CMGSO4, ZERO)\n SO4FR = MAX(SO4FR - CMGSO4, ZERO)\n CNA2SO4 = MAX (SO4FR,ZERO) ! CNA2SO4\n NAFR = MAX (W(1)-2.D0*CNA2SO4, ZERO)\n CNANO3 = MIN (NAFR, W(4)) ! CNANO3\n NO3FR = MAX (W(4)-CNANO3, ZERO)\n CNACL = MIN (MAX(NAFR-CNANO3, ZERO), W(5)) ! CNACL\n CLFR = MAX (W(5)-CNACL, ZERO)\nC\nC *** CALCULATE VOLATILE SPECIES **************************************\nC\n ALF = W(3) ! FREE NH3\n BET = CLFR ! FREE CL\n GAM = NO3FR ! FREE NO3\nC\n RTSQ = R*TEMP*R*TEMP\n A1 = XK6/RTSQ\n A2 = XK10/RTSQ\nC\n THETA1 = GAM - BET*(A2/A1)\n THETA2 = A2/A1\nC\nC QUADRATIC EQUATION SOLUTION\nC\n BB = (THETA1-ALF-BET*(ONE+THETA2))/(ONE+THETA2)\n CC = (ALF*BET-A1-BET*THETA1)/(ONE+THETA2)\n DD = BB*BB - 4.0D0*CC\n IF (DD.LT.ZERO) GOTO 100 ! Solve each reaction seperately\nC\nC TWO ROOTS FOR KAPA, CHECK AND SEE IF ANY VALID\nC\n SQDD = SQRT(DD)\n KAPA1 = 0.5D0*(-BB+SQDD)\n KAPA2 = 0.5D0*(-BB-SQDD)\n LAMDA1 = THETA1 + THETA2*KAPA1\n LAMDA2 = THETA1 + THETA2*KAPA2\nC\n IF (KAPA1.GE.ZERO .AND. LAMDA1.GE.ZERO) THEN\n IF (ALF-KAPA1-LAMDA1.GE.ZERO .AND.\n & BET-KAPA1.GE.ZERO .AND. GAM-LAMDA1.GE.ZERO) THEN\n KAPA = KAPA1\n LAMDA= LAMDA1\n GOTO 200\n ENDIF\n ENDIF\nC\n IF (KAPA2.GE.ZERO .AND. LAMDA2.GE.ZERO) THEN\n IF (ALF-KAPA2-LAMDA2.GE.ZERO .AND.\n & BET-KAPA2.GE.ZERO .AND. GAM-LAMDA2.GE.ZERO) THEN\n KAPA = KAPA2\n LAMDA= LAMDA2\n GOTO 200\n ENDIF\n ENDIF\nC\nC SEPERATE SOLUTION OF NH4CL & NH4NO3 EQUILIBRIA\nC\n100 KAPA = ZERO\n LAMDA = ZERO\n DD1 = (ALF+BET)*(ALF+BET) - 4.0D0*(ALF*BET-A1)\n DD2 = (ALF+GAM)*(ALF+GAM) - 4.0D0*(ALF*GAM-A2)\nC\nC NH4CL EQUILIBRIUM\nC\n IF (DD1.GE.ZERO) THEN\n SQDD1 = SQRT(DD1)\n KAPA1 = 0.5D0*(ALF+BET + SQDD1)\n KAPA2 = 0.5D0*(ALF+BET - SQDD1)\nC\n IF (KAPA1.GE.ZERO .AND. KAPA1.LE.MIN(ALF,BET)) THEN\n KAPA = KAPA1\n ELSE IF (KAPA2.GE.ZERO .AND. KAPA2.LE.MIN(ALF,BET)) THEN\n KAPA = KAPA2\n ELSE\n KAPA = ZERO\n ENDIF\n ENDIF\nC\nC NH4NO3 EQUILIBRIUM\nC\n IF (DD2.GE.ZERO) THEN\n SQDD2 = SQRT(DD2)\n LAMDA1= 0.5D0*(ALF+GAM + SQDD2)\n LAMDA2= 0.5D0*(ALF+GAM - SQDD2)\nC\n IF (LAMDA1.GE.ZERO .AND. LAMDA1.LE.MIN(ALF,GAM)) THEN\n LAMDA = LAMDA1\n ELSE IF (LAMDA2.GE.ZERO .AND. LAMDA2.LE.MIN(ALF,GAM)) THEN\n LAMDA = LAMDA2\n ELSE\n LAMDA = ZERO\n ENDIF\n ENDIF\nC\nC IF BOTH KAPA, LAMDA ARE > 0, THEN APPLY EXISTANCE CRITERION\nC\n IF (KAPA.GT.ZERO .AND. LAMDA.GT.ZERO) THEN\n IF (BET .LT. LAMDA/THETA1) THEN\n KAPA = ZERO\n ELSE\n LAMDA= ZERO\n ENDIF\n ENDIF\nC\nC *** CALCULATE COMPOSITION OF VOLATILE SPECIES ***********************\nC\n200 CONTINUE\n CNH4NO3 = LAMDA\n CNH4CL = KAPA\nC\n GNH3 = ALF - KAPA - LAMDA\n GHNO3 = GAM - LAMDA\n GHCL = BET - KAPA\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCM1A *****************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCP13\nC *** CASE P13\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; Rcr+Na >= 2.0 ; Rcr > 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : CaSO4\nC 4. Completely dissolved: CA(NO3)2, CACL2, K2SO4, KNO3, KCL, MGSO4,\nC MG(NO3)2, MGCL2, NANO3, NACL, NH4NO3, NH4CL\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCP13\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n CALAOU = .TRUE.\n CHI11 = MIN (W(2), W(6)) ! CCASO4\n FRCA = MAX (W(6) - CHI11, ZERO)\n FRSO4 = MAX (W(2) - CHI11, ZERO)\n CHI9 = MIN (FRSO4, 0.5D0*W(7)) ! CK2SO4\n FRK = MAX (W(7) - 2.D0*CHI9, ZERO)\n FRSO4 = MAX (FRSO4 - CHI9, ZERO)\n CHI10 = FRSO4 ! CMGSO4\n FRMG = MAX (W(8) - CHI10, ZERO)\n CHI7 = MIN (W(1), W(5)) ! CNACL\n FRNA = MAX (W(1) - CHI7, ZERO)\n FRCL = MAX (W(5) - CHI7, ZERO)\n CHI12 = MIN (FRCA, 0.5D0*W(4)) ! CCANO32\n FRCA = MAX (FRCA - CHI12, ZERO)\n FRNO3 = MAX (W(4) - 2.D0*CHI12, ZERO)\n CHI17 = MIN (FRCA, 0.5D0*FRCL) ! CCACL2\n FRCA = MAX (FRCA - CHI17, ZERO)\n FRCL = MAX (FRCL - 2.D0*CHI17, ZERO)\n CHI15 = MIN (FRMG, 0.5D0*FRNO3) ! CMGNO32\n FRMG = MAX (FRMG - CHI15, ZERO)\n FRNO3 = MAX (FRNO3 - 2.D0*CHI15, ZERO)\n CHI16 = MIN (FRMG, 0.5D0*FRCL) ! CMGCL2\n FRMG = MAX (FRMG - CHI16, ZERO)\n FRCL = MAX (FRCL - 2.D0*CHI16, ZERO)\n CHI8 = MIN (FRNA, FRNO3) ! CNANO3\n FRNA = MAX (FRNA - CHI8, ZERO)\n FRNO3 = MAX (FRNO3 - CHI8, ZERO)\n CHI14 = MIN (FRK, FRCL) ! CKCL\n FRK = MAX (FRK - CHI14, ZERO)\n FRCL = MAX (FRCL - CHI14, ZERO)\n CHI13 = MIN (FRK, FRNO3) ! CKNO3\n FRK = MAX (FRK - CHI13, ZERO)\n FRNO3 = MAX (FRNO3 - CHI13, ZERO)\nC\n CHI5 = FRNO3 ! HNO3(g)\n CHI6 = FRCL ! HCL(g)\n CHI4 = W(3) ! NH3(g)\nC\n CHI3 = ZERO ! CNH4CL\n CHI1 = ZERO\n CHI2 = ZERO\nC\n PSI6LO = TINY\n PSI6HI = CHI6-TINY ! MIN(CHI6-TINY, CHI4)\nC\nC *** INITIAL VALUES FOR BISECTION ************************************\nC\n X1 = PSI6LO\n Y1 = FUNCP13 (X1)\n IF (ABS(Y1).LE.EPS .OR. CHI6.LE.TINY) GOTO 50\nC\nC *** ROOT TRACKING ; FOR THE RANGE OF HI AND LO **********************\nC\n DX = (PSI6HI-PSI6LO)/FLOAT(NDIV)\n DO 10 I=1,NDIV\n X2 = X1+DX\n Y2 = FUNCP13 (X2)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y2).LT.ZERO) GOTO 20 ! (Y1*Y2.LT.ZERO)\n X1 = X2\n Y1 = Y2\n10 CONTINUE\nC\nC *** NO SUBDIVISION WITH SOLUTION; IF ABS(Y2) 2.0) ; Rcr+Na >= 2.0 ; Rcr > 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : CaSO4\nC 4. Completely dissolved: CA(NO3)2, CACL2, K2SO4, KNO3, KCL, MGSO4,\nC MG(NO3)2, MGCL2, NANO3, NACL, NH4NO3, NH4CL\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n DOUBLE PRECISION FUNCTION FUNCP13 (X)\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n PSI6 = X\n PSI1 = ZERO\n PSI2 = ZERO\n PSI3 = ZERO\n PSI4 = ZERO\n PSI7 = CHI7\n PSI8 = CHI8\n PSI9 = CHI9\n PSI10 = CHI10\n PSI11 = ZERO\n PSI12 = CHI12\n PSI13 = CHI13\n PSI14 = CHI14\n PSI15 = CHI15\n PSI16 = CHI16\n PSI17 = CHI17\n FRST = .TRUE.\n CALAIN = .TRUE.\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A4 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2.0\n A5 = XK4 *R*TEMP*(WATER/GAMA(10))**2.0\n A6 = XK3 *R*TEMP*(WATER/GAMA(11))**2.0\nC\nC CALCULATE DISSOCIATION QUANTITIES\nC\n PSI5 = CHI5*(PSI6 + PSI7 + PSI14 + 2.D0*PSI16 + 2.D0*PSI17) -\n & A6/A5*(PSI8+2.D0*PSI12+PSI13+2.D0*PSI15)*(CHI6-PSI6)\n PSI5 = PSI5/(A6/A5*(CHI6-PSI6) + PSI6 + PSI7 + PSI14 +\n & 2.D0*PSI16 + 2.D0*PSI17)\n PSI5 = MIN(MAX(PSI5, TINY),CHI5)\nC\n IF (W(3).GT.TINY .AND. WATER.GT.TINY) THEN ! First try 3rd order soln\n BB =-(CHI4 + PSI6 + PSI5 + 1.d0/A4)\n CC = CHI4*(PSI5+PSI6)\n DD = MAX(BB*BB-4.d0*CC,ZERO)\n PSI4 =0.5d0*(-BB - SQRT(DD))\n PSI4 = MIN(MAX(PSI4,ZERO),CHI4)\n ELSE\n PSI4 = TINY\n ENDIF\nC\nC *** CALCULATE SPECIATION *********************************************\nC\n MOLAL (2) = PSI8 + PSI7 ! NAI\n MOLAL (3) = PSI4 ! NH4I\n MOLAL (4) = PSI6 + PSI7 + PSI14 + 2.D0*PSI16 + 2.D0*PSI17 ! CLI\n MOLAL (5) = PSI9 + PSI10 ! SO4I\n MOLAL (6) = ZERO ! HSO4I\n MOLAL (7) = PSI5 + PSI8 + 2.D0*PSI12 + PSI13 + 2.D0*PSI15 ! NO3I\n MOLAL (8) = PSI11 + PSI12 + PSI17 ! CAI\n MOLAL (9) = 2.D0*PSI9 + PSI13 + PSI14 ! KI\n MOLAL (10)= PSI10 + PSI15 + PSI16 ! MGI\nC\nC *** CALCULATE H+ *****************************************************\nC\nC REST = 2.D0*W(2) + W(4) + W(5)\nCC\nC DELT1 = 0.0d0\nC DELT2 = 0.0d0\nC IF (W(1)+W(6)+W(7)+W(8).GT.REST) THEN\nCC\nCC *** CALCULATE EQUILIBRIUM CONSTANTS **********************************\nCC\nC ALFA1 = XK26*RH*(WATER/1.0) ! CO2(aq) + H2O\nC ALFA2 = XK27*(WATER/1.0) ! HCO3-\nCC\nC X = W(1)+W(6)+W(7)+W(8) - REST ! EXCESS OF CRUSTALS EQUALS CO2(aq)\nCC\nC DIAK = SQRT( (ALFA1)**2.0 + 4.0D0*ALFA1*X)\nC DELT1 = 0.5*(-ALFA1 + DIAK)\nC DELT1 = MIN ( MAX (DELT1, ZERO), X)\nC DELT2 = ALFA2\nC DELT2 = MIN ( DELT2, DELT1)\nC MOLAL(1) = DELT1 + DELT2 ! H+\nC ELSE\nC\nC *** NO EXCESS OF CRUSTALS CALCULATE H+ *******************************\nC\n SMIN = 2.d0*MOLAL(5)+MOLAL(7)+MOLAL(4)-MOLAL(2)-MOLAL(3)\n & - MOLAL(9) - 2.D0*MOLAL(10) - 2.D0*MOLAL(8)\n CALL CALCPH (SMIN, HI, OHI)\n MOLAL (1) = HI\nC ENDIF\nC\n GNH3 = MAX(CHI4 - PSI4, TINY)\n GHNO3 = MAX(CHI5 - PSI5, TINY)\n GHCL = MAX(CHI6 - PSI6, TINY)\nC\n CNH4NO3 = ZERO\n CNH4CL = ZERO\n CNACL = ZERO\n CNANO3 = ZERO\n CK2SO4 = ZERO\n CMGSO4 = ZERO\n CCASO4 = CHI11\n CCANO32 = ZERO\n CKNO3 = ZERO\n CKCL = ZERO\n CMGNO32 = ZERO\n CMGCL2 = ZERO\n CCACL2 = ZERO\nC\n CALL CALCMR ! Water content\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nC\nC *** CALCULATE FUNCTION VALUE FOR OUTER LOOP ***************************\nC\nC20 FUNCP13 = MOLAL(3)*MOLAL(4)/GHCL/GNH3/A6/A4 - ONE\n20 FUNCP13 = MOLAL(1)*MOLAL(4)/GHCL/A6 - ONE\nC\n RETURN\nC\nC *** END OF FUNCTION FUNCP13 *******************************************\nC\n END\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCP12\nC *** CASE P12\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; Rcr+Na >= 2.0 ; Rcr > 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : CaSO4, K2SO4\nC 4. Completely dissolved: CA(NO3)2, CACL2, KNO3, KCL, MGSO4,\nC MG(NO3)2, MGCL2, NANO3, NACL, NH4NO3, NH4CL\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCP12\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n CALAOU = .TRUE.\n CHI11 = MIN (W(2), W(6)) ! CCASO4\n FRCA = MAX (W(6) - CHI11, ZERO)\n FRSO4 = MAX (W(2) - CHI11, ZERO)\n CHI9 = MIN (FRSO4, 0.5D0*W(7)) ! CK2SO4\n FRK = MAX (W(7) - 2.D0*CHI9, ZERO)\n FRSO4 = MAX (FRSO4 - CHI9, ZERO)\n CHI10 = FRSO4 ! CMGSO4\n FRMG = MAX (W(8) - CHI10, ZERO)\n CHI7 = MIN (W(1), W(5)) ! CNACL\n FRNA = MAX (W(1) - CHI7, ZERO)\n FRCL = MAX (W(5) - CHI7, ZERO)\n CHI12 = MIN (FRCA, 0.5D0*W(4)) ! CCANO32\n FRCA = MAX (FRCA - CHI12, ZERO)\n FRNO3 = MAX (W(4) - 2.D0*CHI12, ZERO)\n CHI17 = MIN (FRCA, 0.5D0*FRCL) ! CCACL2\n FRCA = MAX (FRCA - CHI17, ZERO)\n FRCL = MAX (FRCL - 2.D0*CHI17, ZERO)\n CHI15 = MIN (FRMG, 0.5D0*FRNO3) ! CMGNO32\n FRMG = MAX (FRMG - CHI15, ZERO)\n FRNO3 = MAX (FRNO3 - 2.D0*CHI15, ZERO)\n CHI16 = MIN (FRMG, 0.5D0*FRCL) ! CMGCL2\n FRMG = MAX (FRMG - CHI16, ZERO)\n FRCL = MAX (FRCL - 2.D0*CHI16, ZERO)\n CHI8 = MIN (FRNA, FRNO3) ! CNANO3\n FRNA = MAX (FRNA - CHI8, ZERO)\n FRNO3 = MAX (FRNO3 - CHI8, ZERO)\n CHI14 = MIN (FRK, FRCL) ! CKCL\n FRK = MAX (FRK - CHI14, ZERO)\n FRCL = MAX (FRCL - CHI14, ZERO)\n CHI13 = MIN (FRK, FRNO3) ! CKNO3\n FRK = MAX (FRK - CHI13, ZERO)\n FRNO3 = MAX (FRNO3 - CHI13, ZERO)\nC\n CHI5 = FRNO3 ! HNO3(g)\n CHI6 = FRCL ! HCL(g)\n CHI4 = W(3) ! NH3(g)\nC\n CHI3 = ZERO ! CNH4CL\n CHI1 = ZERO\n CHI2 = ZERO\nC\n PSI6LO = TINY\n PSI6HI = CHI6-TINY ! MIN(CHI6-TINY, CHI4)\nC\nC *** INITIAL VALUES FOR BISECTION ************************************\nC\n X1 = PSI6LO\n Y1 = FUNCP12 (X1)\n IF (ABS(Y1).LE.EPS .OR. CHI6.LE.TINY) GOTO 50\nC\nC *** ROOT TRACKING ; FOR THE RANGE OF HI AND LO **********************\nC\n DX = (PSI6HI-PSI6LO)/FLOAT(NDIV)\n DO 10 I=1,NDIV\n X2 = X1+DX\n Y2 = FUNCP12 (X2)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y2).LT.ZERO) GOTO 20 ! (Y1*Y2.LT.ZERO)\n X1 = X2\n Y1 = Y2\n10 CONTINUE\nC\nC *** NO SUBDIVISION WITH SOLUTION; IF ABS(Y2) 2.0) ; Rcr+Na >= 2.0 ; Rcr > 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : CaSO4, K2SO4\nC 4. Completely dissolved: CA(NO3)2, CACL2, KNO3, KCL, MGSO4,\nC MG(NO3)2, MGCL2, NANO3, NACL, NH4NO3, NH4CL\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n DOUBLE PRECISION FUNCTION FUNCP12 (X)\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n PSI6 = X\n PSI1 = ZERO\n PSI2 = ZERO\n PSI3 = ZERO\n PSI4 = ZERO\n PSI7 = CHI7\n PSI8 = CHI8\n PSI9 = ZERO\n PSI10 = CHI10\n PSI11 = ZERO\n PSI12 = CHI12\n PSI13 = CHI13\n PSI14 = CHI14\n PSI15 = CHI15\n PSI16 = CHI16\n PSI17 = CHI17\n FRST = .TRUE.\n CALAIN = .TRUE.\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A4 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2.0\n A5 = XK4 *R*TEMP*(WATER/GAMA(10))**2.0\n A6 = XK3 *R*TEMP*(WATER/GAMA(11))**2.0\n A9 = XK17 *(WATER/GAMA(17))**3.0\nC\nC CALCULATE DISSOCIATION QUANTITIES\nC\n PSI5 = CHI5*(PSI6 + PSI7 + PSI14 + 2.D0*PSI16 + 2.D0*PSI17) -\n & A6/A5*(PSI8+2.D0*PSI12+PSI13+2.D0*PSI15)*(CHI6-PSI6-PSI3)\n PSI5 = PSI5/(A6/A5*(CHI6-PSI6-PSI3) + PSI6 + PSI7 + PSI14 +\n & 2.D0*PSI16 + 2.D0*PSI17)\n PSI5 = MIN(MAX(PSI5, TINY),CHI5)\nC\n IF (W(3).GT.TINY .AND. WATER.GT.TINY) THEN ! First try 3rd order soln\n BB =-(CHI4 + PSI6 + PSI5 + 1.d0/A4)\n CC = CHI4*(PSI5+PSI6)\n DD = MAX(BB*BB-4.d0*CC,ZERO)\n PSI4 =0.5d0*(-BB - SQRT(DD))\n PSI4 = MIN(MAX(PSI4,ZERO),CHI4)\n ELSE\n PSI4 = TINY\n ENDIF\nC\n IF (CHI9.GT.TINY .AND. WATER.GT.TINY) THEN !K2SO4\n BBP = PSI10+PSI13+PSI14\n CCP = (PSI13+PSI14)*(0.25D0*(PSI13+PSI14)+PSI10)\n DDP = 0.25D0*(PSI13+PSI14)**2.0*PSI10-A9/4.D0\n CALL POLY3 (BBP, CCP, DDP, PSI9, ISLV)\n IF (ISLV.EQ.0) THEN\n PSI9 = MIN (MAX(PSI9,ZERO) , CHI9)\n ELSE\n PSI9 = ZERO\n ENDIF\n ENDIF\nC\nC\nC *** CALCULATE SPECIATION ********************************************\nC\n MOLAL (2) = PSI8 + PSI7 ! NAI\n MOLAL (3) = PSI4 ! NH4I\n MOLAL (4) = PSI6 + PSI7 + PSI14 + 2.D0*PSI16 + 2.D0*PSI17 ! CLI\n MOLAL (5) = PSI9 + PSI10 ! SO4I\n MOLAL (6) = ZERO ! HSO4I\n MOLAL (7) = PSI5 + PSI8 + 2.D0*PSI12 + PSI13 + 2.D0*PSI15 ! NO3I\n MOLAL (8) = PSI11 + PSI12 + PSI17 ! CAI\n MOLAL (9) = 2.D0*PSI9 + PSI13 + PSI14 ! KI\n MOLAL (10)= PSI10 + PSI15 + PSI16 ! MGI\nC\nC *** CALCULATE H+ *****************************************************\nC\nC REST = 2.D0*W(2) + W(4) + W(5)\nCC\nC DELT1 = 0.0d0\nC DELT2 = 0.0d0\nC IF (W(1)+W(6)+W(7)+W(8).GT.REST) THEN\nCC\nCC *** CALCULATE EQUILIBRIUM CONSTANTS **********************************\nCC\nC ALFA1 = XK26*RH*(WATER/1.0) ! CO2(aq) + H2O\nC ALFA2 = XK27*(WATER/1.0) ! HCO3-\nCC\nC X = W(1)+W(6)+W(7)+W(8) - REST ! EXCESS OF CRUSTALS EQUALS CO2(aq)\nCC\nC DIAK = SQRT( (ALFA1)**2.0 + 4.0D0*ALFA1*X)\nC DELT1 = 0.5*(-ALFA1 + DIAK)\nC DELT1 = MIN ( MAX (DELT1, ZERO), X)\nC DELT2 = ALFA2\nC DELT2 = MIN ( DELT2, DELT1)\nC MOLAL(1) = DELT1 + DELT2 ! H+\nC ELSE\nCC\nCC *** NO EXCESS OF CRUSTALS CALCULATE H+ *******************************\nCC\n SMIN = 2.d0*MOLAL(5)+MOLAL(7)+MOLAL(4)-MOLAL(2)-MOLAL(3)\n & - MOLAL(9) - 2.D0*MOLAL(10) - 2.D0*MOLAL(8)\n CALL CALCPH (SMIN, HI, OHI)\n MOLAL (1) = HI\nC ENDIF\nC\n GNH3 = MAX(CHI4 - PSI4, TINY)\n GHNO3 = MAX(CHI5 - PSI5, TINY)\n GHCL = MAX(CHI6 - PSI6, TINY)\nC\n CNH4NO3 = ZERO\n CNH4CL = ZERO\n CNACL = ZERO\n CNANO3 = ZERO\n CK2SO4 = MAX (CHI9 - PSI9, ZERO)\n CMGSO4 = ZERO\n CCASO4 = CHI11\n CCANO32 = ZERO\n CKNO3 = ZERO\n CKCL = ZERO\n CMGNO32 = ZERO\n CMGCL2 = ZERO\n CCACL2 = ZERO\nC\n CALL CALCMR ! Water content\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nC\nC *** CALCULATE FUNCTION VALUE FOR OUTER LOOP ***************************\nC\nC20 FUNCP12 = MOLAL(3)*MOLAL(4)/GHCL/GNH3/A6/A4 - ONE\n20 FUNCP12 = MOLAL(1)*MOLAL(4)/GHCL/A6 - ONE\nC\n RETURN\nC\nC *** END OF FUNCTION FUNCP12 *******************************************\nC\n END\n\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCP11\nC *** CASE P11\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; Rcr+Na >= 2.0 ; Rcr > 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : CaSO4, K2SO4, KNO3\nC 4. Completely dissolved: CA(NO3)2, CACL2, KCL, MGSO4,\nC MG(NO3)2, MGCL2, NANO3, NACL, NH4NO3, NH4CL\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCP11\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n CALAOU = .TRUE.\n CHI11 = MIN (W(2), W(6)) ! CCASO4\n FRCA = MAX (W(6) - CHI11, ZERO)\n FRSO4 = MAX (W(2) - CHI11, ZERO)\n CHI9 = MIN (FRSO4, 0.5D0*W(7)) ! CK2SO4\n FRK = MAX (W(7) - 2.D0*CHI9, ZERO)\n FRSO4 = MAX (FRSO4 - CHI9, ZERO)\n CHI10 = FRSO4 ! CMGSO4\n FRMG = MAX (W(8) - CHI10, ZERO)\n CHI7 = MIN (W(1), W(5)) ! CNACL\n FRNA = MAX (W(1) - CHI7, ZERO)\n FRCL = MAX (W(5) - CHI7, ZERO)\n CHI12 = MIN (FRCA, 0.5D0*W(4)) ! CCANO32\n FRCA = MAX (FRCA - CHI12, ZERO)\n FRNO3 = MAX (W(4) - 2.D0*CHI12, ZERO)\n CHI17 = MIN (FRCA, 0.5D0*FRCL) ! CCACL2\n FRCA = MAX (FRCA - CHI17, ZERO)\n FRCL = MAX (FRCL - 2.D0*CHI17, ZERO)\n CHI15 = MIN (FRMG, 0.5D0*FRNO3) ! CMGNO32\n FRMG = MAX (FRMG - CHI15, ZERO)\n FRNO3 = MAX (FRNO3 - 2.D0*CHI15, ZERO)\n CHI16 = MIN (FRMG, 0.5D0*FRCL) ! CMGCL2\n FRMG = MAX (FRMG - CHI16, ZERO)\n FRCL = MAX (FRCL - 2.D0*CHI16, ZERO)\n CHI8 = MIN (FRNA, FRNO3) ! CNANO3\n FRNA = MAX (FRNA - CHI8, ZERO)\n FRNO3 = MAX (FRNO3 - CHI8, ZERO)\n CHI14 = MIN (FRK, FRCL) ! CKCL\n FRK = MAX (FRK - CHI14, ZERO)\n FRCL = MAX (FRCL - CHI14, ZERO)\n CHI13 = MIN (FRK, FRNO3) ! CKNO3\n FRK = MAX (FRK - CHI13, ZERO)\n FRNO3 = MAX (FRNO3 - CHI13, ZERO)\nC\n CHI5 = FRNO3 ! HNO3(g)\n CHI6 = FRCL ! HCL(g)\n CHI4 = W(3) ! NH3(g)\nC\n CHI3 = ZERO ! CNH4CL\n CHI1 = ZERO\n CHI2 = ZERO\nC\n PSI6LO = TINY\n PSI6HI = CHI6-TINY ! MIN(CHI6-TINY, CHI4)\nC\nC *** INITIAL VALUES FOR BISECTION ************************************\nC\n X1 = PSI6LO\n Y1 = FUNCP11 (X1)\n IF (ABS(Y1).LE.EPS .OR. CHI6.LE.TINY) GOTO 50\nC\nC *** ROOT TRACKING ; FOR THE RANGE OF HI AND LO **********************\nC\n DX = (PSI6HI-PSI6LO)/FLOAT(NDIV)\n DO 10 I=1,NDIV\n X2 = X1+DX\n Y2 = FUNCP11 (X2)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y2).LT.ZERO) GOTO 20 ! (Y1*Y2.LT.ZERO)\n X1 = X2\n Y1 = Y2\n10 CONTINUE\nC\nC *** NO SUBDIVISION WITH SOLUTION; IF ABS(Y2) 2.0) ; Rcr+Na >= 2.0 ; Rcr > 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : CaSO4, K2SO4, KNO3\nC 4. Completely dissolved: CA(NO3)2, CACL2, KCL, MGSO4,\nC MG(NO3)2, MGCL2, NANO3, NACL, NH4NO3, NH4CL\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n DOUBLE PRECISION FUNCTION FUNCP11 (X)\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n PSI6 = X\n PSI1 = ZERO\n PSI2 = ZERO\n PSI3 = ZERO\n PSI7 = CHI7\n PSI8 = CHI8\n PSI9 = ZERO\n PSI10 = CHI10\n PSI11 = ZERO\n PSI12 = CHI12\n PSI13 = ZERO\n PSI14 = CHI14\n PSI15 = CHI15\n PSI16 = CHI16\n PSI17 = CHI17\n FRST = .TRUE.\n CALAIN = .TRUE.\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A4 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2.0\n A5 = XK4 *R*TEMP*(WATER/GAMA(10))**2.0\n A6 = XK3 *R*TEMP*(WATER/GAMA(11))**2.0\n A9 = XK17 *(WATER/GAMA(17))**3.0\n A13 = XK19 *(WATER/GAMA(19))**2.0\nC\nC CALCULATE DISSOCIATION QUANTITIES\nC\n PSI5 = CHI5*(PSI6 + PSI7 + PSI14 + 2.D0*PSI16 + 2.D0*PSI17) -\n & A6/A5*(PSI8+2.D0*PSI12+PSI13+2.D0*PSI15)*(CHI6-PSI6-PSI3)\n PSI5 = PSI5/(A6/A5*(CHI6-PSI6-PSI3) + PSI6 + PSI7 + PSI14 +\n & 2.D0*PSI16 + 2.D0*PSI17)\n PSI5 = MIN (MAX (PSI5, TINY) , CHI5)\nC\n IF (W(3).GT.TINY .AND. WATER.GT.TINY) THEN ! First try 3rd order soln\n BB =-(CHI4 + PSI6 + PSI5 + 1.d0/A4)\n CC = CHI4*(PSI5+PSI6)\n DD = MAX(BB*BB-4.d0*CC,ZERO)\n PSI4 =0.5d0*(-BB - SQRT(DD))\n PSI4 = MIN(MAX(PSI4,ZERO),CHI4)\n ELSE\n PSI4 = TINY\n ENDIF\nC\n IF (CHI13.GT.TINY .AND. WATER.GT.TINY) THEN !KNO3\n VHTA = PSI5+PSI8+2.D0*PSI12+2.D0*PSI15+PSI14+2.D0*PSI9\n GKAMA = (PSI5+PSI8+2.D0*PSI12+2.D0*PSI15)*(2.D0*PSI9+PSI14)-A13\n DELTA = MAX(VHTA*VHTA-4.d0*GKAMA,ZERO)\n PSI13 =0.5d0*(-VHTA + SQRT(DELTA))\n PSI13 = MIN(MAX(PSI13,ZERO),CHI13)\n ENDIF\nC\n IF (CHI9.GT.TINY .AND. WATER.GT.TINY) THEN !K2SO4\n BBP = PSI10+PSI13+PSI14\n CCP = (PSI13+PSI14)*(0.25D0*(PSI13+PSI14)+PSI10)\n DDP = 0.25D0*(PSI13+PSI14)**2.0*PSI10-A9/4.D0\n CALL POLY3 (BBP, CCP, DDP, PSI9, ISLV)\n IF (ISLV.EQ.0) THEN\n PSI9 = MIN (MAX(PSI9,ZERO) , CHI9)\n ELSE\n PSI9 = ZERO\n ENDIF\n ENDIF\nC\nC\nC *** CALCULATE SPECIATION ********************************************\nC\n MOLAL (2) = PSI8 + PSI7 ! NAI\n MOLAL (3) = PSI4 ! NH4I\n MOLAL (4) = PSI6 + PSI7 + PSI14 + 2.D0*PSI16 + 2.D0*PSI17 ! CLI\n MOLAL (5) = PSI9 + PSI10 ! SO4I\n MOLAL (6) = ZERO ! HSO4I\n MOLAL (7) = PSI5 + PSI8 + 2.D0*PSI12 + PSI13 + 2.D0*PSI15 ! NO3I\n MOLAL (8) = PSI11 + PSI12 + PSI17 ! CAI\n MOLAL (9) = 2.D0*PSI9 + PSI13 + PSI14 ! KI\n MOLAL (10)= PSI10 + PSI15 + PSI16 ! MGI\nC\nC *** CALCULATE H+ *****************************************************\nC\nC REST = 2.D0*W(2) + W(4) + W(5)\nCC\nC DELT1 = 0.0d0\nC DELT2 = 0.0d0\nC IF (W(1)+W(6)+W(7)+W(8).GT.REST) THEN\nCC\nCC *** CALCULATE EQUILIBRIUM CONSTANTS **********************************\nCC\nC ALFA1 = XK26*RH*(WATER/1.0) ! CO2(aq) + H2O\nC ALFA2 = XK27*(WATER/1.0) ! HCO3-\nCC\nC X = W(1)+W(6)+W(7)+W(8) - REST ! EXCESS OF CRUSTALS EQUALS CO2(aq)\nCC\nC DIAK = SQRT( (ALFA1)**2.0 + 4.0D0*ALFA1*X)\nC DELT1 = 0.5*(-ALFA1 + DIAK)\nC DELT1 = MIN ( MAX (DELT1, ZERO), X)\nC DELT2 = ALFA2\nC DELT2 = MIN ( DELT2, DELT1)\nC MOLAL(1) = DELT1 + DELT2 ! H+\nC ELSE\nCC\nCC *** NO EXCESS OF CRUSTALS CALCULATE H+ *******************************\nCC\n SMIN = 2.d0*MOLAL(5)+MOLAL(7)+MOLAL(4)-MOLAL(2)-MOLAL(3)\n & - MOLAL(9) - 2.D0*MOLAL(10) - 2.D0*MOLAL(8)\n CALL CALCPH (SMIN, HI, OHI)\n MOLAL (1) = HI\nC ENDIF\nC\n GNH3 = MAX(CHI4 - PSI4, TINY)\n GHNO3 = MAX(CHI5 - PSI5, TINY)\n GHCL = MAX(CHI6 - PSI6, TINY)\nC\n CNH4NO3 = ZERO\n CNH4CL = ZERO\n CNACL = ZERO\n CNANO3 = ZERO\n CK2SO4 = MAX (CHI9 - PSI9, ZERO)\n CMGSO4 = ZERO\n CCASO4 = CHI11\n CCANO32 = ZERO\n CKNO3 = MAX (CHI13 - PSI13, ZERO)\n CKCL = ZERO\n CMGNO32 = ZERO\n CMGCL2 = ZERO\n CCACL2 = ZERO\nC\n CALL CALCMR ! Water content\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nC\nC *** CALCULATE FUNCTION VALUE FOR OUTER LOOP ***************************\nC\nC20 FUNCP11 = MOLAL(3)*MOLAL(4)/GHCL/GNH3/A6/A4 - ONE\n20 FUNCP11 = MOLAL(1)*MOLAL(4)/GHCL/A6 - ONE\nC\n RETURN\nC\nC *** END OF FUNCTION FUNCP11 *******************************************\nC\n END\n\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCP10\nC *** CASE P10\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; Rcr+Na >= 2.0 ; Rcr > 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : CaSO4, K2SO4, KNO3, MGSO4\nC 4. Completely dissolved: CA(NO3)2, CACL2, KCL,\nC MG(NO3)2, MGCL2, NANO3, NACL, NH4NO3, NH4CL\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCP10\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n CALAOU = .TRUE.\n CHI11 = MIN (W(2), W(6)) ! CCASO4\n FRCA = MAX (W(6) - CHI11, ZERO)\n FRSO4 = MAX (W(2) - CHI11, ZERO)\n CHI9 = MIN (FRSO4, 0.5D0*W(7)) ! CK2SO4\n FRK = MAX (W(7) - 2.D0*CHI9, ZERO)\n FRSO4 = MAX (FRSO4 - CHI9, ZERO)\n CHI10 = FRSO4 ! CMGSO4\n FRMG = MAX (W(8) - CHI10, ZERO)\n CHI7 = MIN (W(1), W(5)) ! CNACL\n FRNA = MAX (W(1) - CHI7, ZERO)\n FRCL = MAX (W(5) - CHI7, ZERO)\n CHI12 = MIN (FRCA, 0.5D0*W(4)) ! CCANO32\n FRCA = MAX (FRCA - CHI12, ZERO)\n FRNO3 = MAX (W(4) - 2.D0*CHI12, ZERO)\n CHI17 = MIN (FRCA, 0.5D0*FRCL) ! CCACL2\n FRCA = MAX (FRCA - CHI17, ZERO)\n FRCL = MAX (FRCL - 2.D0*CHI17, ZERO)\n CHI15 = MIN (FRMG, 0.5D0*FRNO3) ! CMGNO32\n FRMG = MAX (FRMG - CHI15, ZERO)\n FRNO3 = MAX (FRNO3 - 2.D0*CHI15, ZERO)\n CHI16 = MIN (FRMG, 0.5D0*FRCL) ! CMGCL2\n FRMG = MAX (FRMG - CHI16, ZERO)\n FRCL = MAX (FRCL - 2.D0*CHI16, ZERO)\n CHI8 = MIN (FRNA, FRNO3) ! CNANO3\n FRNA = MAX (FRNA - CHI8, ZERO)\n FRNO3 = MAX (FRNO3 - CHI8, ZERO)\n CHI14 = MIN (FRK, FRCL) ! CKCL\n FRK = MAX (FRK - CHI14, ZERO)\n FRCL = MAX (FRCL - CHI14, ZERO)\n CHI13 = MIN (FRK, FRNO3) ! CKNO3\n FRK = MAX (FRK - CHI13, ZERO)\n FRNO3 = MAX (FRNO3 - CHI13, ZERO)\nC\n CHI5 = FRNO3 ! HNO3(g)\n CHI6 = FRCL ! HCL(g)\n CHI4 = W(3) ! NH3(g)\nC\n CHI3 = ZERO ! CNH4CL\n CHI1 = ZERO\n CHI2 = ZERO\nC\n PSI6LO = TINY\n PSI6HI = CHI6-TINY ! MIN(CHI6-TINY, CHI4)\nC\nC *** INITIAL VALUES FOR BISECTION ************************************\nC\n X1 = PSI6LO\n Y1 = FUNCP10 (X1)\n IF (ABS(Y1).LE.EPS .OR. CHI6.LE.TINY) GOTO 50\nC\nC *** ROOT TRACKING ; FOR THE RANGE OF HI AND LO **********************\nC\n DX = (PSI6HI-PSI6LO)/FLOAT(NDIV)\n DO 10 I=1,NDIV\n X2 = X1+DX\n Y2 = FUNCP10 (X2)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y2).LT.ZERO) GOTO 20 ! (Y1*Y2.LT.ZERO)\n X1 = X2\n Y1 = Y2\n10 CONTINUE\nC\nC *** NO SUBDIVISION WITH SOLUTION; IF ABS(Y2) 2.0) ; Rcr+Na >= 2.0 ; Rcr > 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : CaSO4, K2SO4, KNO3, MGSO4\nC 4. Completely dissolved: CA(NO3)2, CACL2, KCL,\nC MG(NO3)2, MGCL2, NANO3, NACL, NH4NO3, NH4CL\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n DOUBLE PRECISION FUNCTION FUNCP10 (X)\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n PSI6 = X\n PSI1 = ZERO\n PSI2 = ZERO\n PSI3 = ZERO\n PSI7 = CHI7\n PSI8 = CHI8\n PSI9 = ZERO\n PSI10 = CHI10\n PSI11 = ZERO\n PSI12 = CHI12\n PSI13 = ZERO\n PSI14 = CHI14\n PSI15 = CHI15\n PSI16 = CHI16\n PSI17 = CHI17\n FRST = .TRUE.\n CALAIN = .TRUE.\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A4 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2.0\n A5 = XK4 *R*TEMP*(WATER/GAMA(10))**2.0\n A6 = XK3 *R*TEMP*(WATER/GAMA(11))**2.0\n A9 = XK17 *(WATER/GAMA(17))**3.0\n A13 = XK19 *(WATER/GAMA(19))**2.0\nC\nC CALCULATE DISSOCIATION QUANTITIES\nC\n PSI5 = CHI5*(PSI6 + PSI7 + PSI14 + 2.D0*PSI16 + 2.D0*PSI17) -\n & A6/A5*(PSI8+2.D0*PSI12+PSI13+2.D0*PSI15)*(CHI6-PSI6-PSI3)\n PSI5 = PSI5/(A6/A5*(CHI6-PSI6-PSI3) + PSI6 + PSI7 + PSI14 +\n & 2.D0*PSI16 + 2.D0*PSI17)\n PSI5 = MIN (MAX (PSI5, TINY) , CHI5)\nC\n IF (W(3).GT.TINY .AND. WATER.GT.TINY) THEN ! First try 3rd order soln\n BB =-(CHI4 + PSI6 + PSI5 + 1.d0/A4)\n CC = CHI4*(PSI5+PSI6)\n DD = MAX(BB*BB-4.d0*CC,ZERO)\n PSI4 =0.5d0*(-BB - SQRT(DD))\n PSI4 = MIN(MAX(PSI4,ZERO),CHI4)\n ELSE\n PSI4 = TINY\n ENDIF\nC\n IF (CHI13.GT.TINY .AND. WATER.GT.TINY) THEN !KNO3\n VHTA = PSI5+PSI8+2.D0*PSI12+2.D0*PSI15+PSI14+2.D0*PSI9\n GKAMA = (PSI5+PSI8+2.D0*PSI12+2.D0*PSI15)*(2.D0*PSI9+PSI14)-A13\n DELTA = MAX(VHTA*VHTA-4.d0*GKAMA,ZERO)\n PSI13 =0.5d0*(-VHTA + SQRT(DELTA))\n PSI13 = MIN(MAX(PSI13,ZERO),CHI13)\n ENDIF\nC\n IF (CHI9.GT.TINY .AND. WATER.GT.TINY) THEN !K2SO4\n BBP = PSI10+PSI13+PSI14\n CCP = (PSI13+PSI14)*(0.25D0*(PSI13+PSI14)+PSI10)\n DDP = 0.25D0*(PSI13+PSI14)**2.0*PSI10-A9/4.D0\n CALL POLY3 (BBP, CCP, DDP, PSI9, ISLV)\n IF (ISLV.EQ.0) THEN\n PSI9 = MIN (MAX(PSI9,ZERO) , CHI9)\n ELSE\n PSI9 = ZERO\n ENDIF\n ENDIF\nC\nC\nC *** CALCULATE SPECIATION ********************************************\nC\n MOLAL (2) = PSI8 + PSI7 ! NAI\n MOLAL (3) = PSI4 ! NH4I\n MOLAL (4) = PSI6 + PSI7 + PSI14 + 2.D0*PSI16 + 2.D0*PSI17 ! CLI\n MOLAL (5) = PSI9 + PSI10 ! SO4I\n MOLAL (6) = ZERO ! HSO4I\n MOLAL (7) = PSI5 + PSI8 + 2.D0*PSI12 + PSI13 + 2.D0*PSI15 ! NO3I\n MOLAL (8) = PSI11 + PSI12 + PSI17 ! CAI\n MOLAL (9) = 2.D0*PSI9 + PSI13 + PSI14 ! KI\n MOLAL (10)= PSI10 + PSI15 + PSI16 ! MGI\nC\nC *** CALCULATE H+ *****************************************************\nC\nC REST = 2.D0*W(2) + W(4) + W(5)\nCC\nC DELT1 = 0.0d0\nC DELT2 = 0.0d0\nC IF (W(1)+W(6)+W(7)+W(8).GT.REST) THEN\nCC\nCC *** CALCULATE EQUILIBRIUM CONSTANTS **********************************\nCC\nC ALFA1 = XK26*RH*(WATER/1.0) ! CO2(aq) + H2O\nC ALFA2 = XK27*(WATER/1.0) ! HCO3-\nCC\nC X = W(1)+W(6)+W(7)+W(8) - REST ! EXCESS OF CRUSTALS EQUALS CO2(aq)\nCC\nC DIAK = SQRT( (ALFA1)**2.0 + 4.0D0*ALFA1*X)\nC DELT1 = 0.5*(-ALFA1 + DIAK)\nC DELT1 = MIN ( MAX (DELT1, ZERO), X)\nC DELT2 = ALFA2\nC DELT2 = MIN ( DELT2, DELT1)\nC MOLAL(1) = DELT1 + DELT2 ! H+\nC ELSE\nCC\nCC *** NO EXCESS OF CRUSTALS CALCULATE H+ *******************************\nCC\n SMIN = 2.d0*MOLAL(5)+MOLAL(7)+MOLAL(4)-MOLAL(2)-MOLAL(3)\n & - MOLAL(9) - 2.D0*MOLAL(10) - 2.D0*MOLAL(8)\n CALL CALCPH (SMIN, HI, OHI)\n MOLAL (1) = HI\nC ENDIF\nC\n GNH3 = MAX(CHI4 - PSI4, TINY)\n GHNO3 = MAX(CHI5 - PSI5, TINY)\n GHCL = MAX(CHI6 - PSI6, TINY)\nC\n CNH4NO3 = ZERO\n CNH4CL = ZERO\n CNACL = ZERO\n CNANO3 = ZERO\n CK2SO4 = MAX (CHI9 - PSI9, ZERO)\n CMGSO4 = ZERO\n CCASO4 = CHI11\n CCANO32 = ZERO\n CKNO3 = MAX (CHI13 - PSI13, ZERO)\n CKCL = ZERO\n CMGNO32 = ZERO\n CMGCL2 = ZERO\n CCACL2 = ZERO\nC\n CALL CALCMR ! Water content\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nC\nC *** CALCULATE FUNCTION VALUE FOR OUTER LOOP ***************************\nC\nC20 FUNCP10 = MOLAL(3)*MOLAL(4)/GHCL/GNH3/A6/A4 - ONE\n20 FUNCP10 = MOLAL(1)*MOLAL(4)/GHCL/A6 - ONE\nC\n RETURN\nC\nC *** END OF FUNCTION FUNCP10 *******************************************\nC\n END\n\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCP9\nC *** CASE P9\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; Rcr+Na >= 2.0 ; Rcr > 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : CaSO4, K2SO4, KNO3, MGSO4, KCL\nC 4. Completely dissolved: CA(NO3)2, CACL2,\nC MG(NO3)2, MGCL2, NANO3, NACL, NH4NO3, NH4CL\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCP9\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n CALAOU = .TRUE.\n CHI11 = MIN (W(2), W(6)) ! CCASO4\n FRCA = MAX (W(6) - CHI11, ZERO)\n FRSO4 = MAX (W(2) - CHI11, ZERO)\n CHI9 = MIN (FRSO4, 0.5D0*W(7)) ! CK2SO4\n FRK = MAX (W(7) - 2.D0*CHI9, ZERO)\n FRSO4 = MAX (FRSO4 - CHI9, ZERO)\n CHI10 = FRSO4 ! CMGSO4\n FRMG = MAX (W(8) - CHI10, ZERO)\n CHI7 = MIN (W(1), W(5)) ! CNACL\n FRNA = MAX (W(1) - CHI7, ZERO)\n FRCL = MAX (W(5) - CHI7, ZERO)\n CHI12 = MIN (FRCA, 0.5D0*W(4)) ! CCANO32\n FRCA = MAX (FRCA - CHI12, ZERO)\n FRNO3 = MAX (W(4) - 2.D0*CHI12, ZERO)\n CHI17 = MIN (FRCA, 0.5D0*FRCL) ! CCACL2\n FRCA = MAX (FRCA - CHI17, ZERO)\n FRCL = MAX (FRCL - 2.D0*CHI17, ZERO)\n CHI15 = MIN (FRMG, 0.5D0*FRNO3) ! CMGNO32\n FRMG = MAX (FRMG - CHI15, ZERO)\n FRNO3 = MAX (FRNO3 - 2.D0*CHI15, ZERO)\n CHI16 = MIN (FRMG, 0.5D0*FRCL) ! CMGCL2\n FRMG = MAX (FRMG - CHI16, ZERO)\n FRCL = MAX (FRCL - 2.D0*CHI16, ZERO)\n CHI8 = MIN (FRNA, FRNO3) ! CNANO3\n FRNA = MAX (FRNA - CHI8, ZERO)\n FRNO3 = MAX (FRNO3 - CHI8, ZERO)\n CHI14 = MIN (FRK, FRCL) ! CKCL\n FRK = MAX (FRK - CHI14, ZERO)\n FRCL = MAX (FRCL - CHI14, ZERO)\n CHI13 = MIN (FRK, FRNO3) ! CKNO3\n FRK = MAX (FRK - CHI13, ZERO)\n FRNO3 = MAX (FRNO3 - CHI13, ZERO)\nC\n CHI5 = FRNO3 ! HNO3(g)\n CHI6 = FRCL ! HCL(g)\n CHI4 = W(3) ! NH3(g)\nC\n CHI3 = ZERO ! CNH4CL\n CHI1 = ZERO\n CHI2 = ZERO\nC\n PSI6LO = TINY\n PSI6HI = CHI6-TINY ! MIN(CHI6-TINY, CHI4)\nC\nC *** INITIAL VALUES FOR BISECTION ************************************\nC\n X1 = PSI6LO\n Y1 = FUNCP9 (X1)\n IF (ABS(Y1).LE.EPS .OR. CHI6.LE.TINY) GOTO 50\nC\nC *** ROOT TRACKING ; FOR THE RANGE OF HI AND LO **********************\nC\n DX = (PSI6HI-PSI6LO)/FLOAT(NDIV)\n DO 10 I=1,NDIV\n X2 = X1+DX\n Y2 = FUNCP9 (X2)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y2).LT.ZERO) GOTO 20 ! (Y1*Y2.LT.ZERO)\n X1 = X2\n Y1 = Y2\n10 CONTINUE\nC\nC *** NO SUBDIVISION WITH SOLUTION; IF ABS(Y2) 2.0) ; Rcr+Na >= 2.0 ; Rcr > 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : CaSO4, K2SO4, KNO3, MGSO4, KCL\nC 4. Completely dissolved: CA(NO3)2, CACL2,\nC MG(NO3)2, MGCL2, NANO3, NACL, NH4NO3, NH4CL\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n DOUBLE PRECISION FUNCTION FUNCP9 (X)\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n PSI6 = X\n PSI1 = ZERO\n PSI2 = ZERO\n PSI3 = ZERO\n PSI7 = CHI7\n PSI8 = CHI8\n PSI9 = ZERO\n PSI10 = CHI10\n PSI11 = ZERO\n PSI12 = CHI12\n PSI13 = ZERO\n PSI14 = ZERO\n PSI15 = CHI15\n PSI16 = CHI16\n PSI17 = CHI17\n FRST = .TRUE.\n CALAIN = .TRUE.\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A4 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2.0\n A5 = XK4 *R*TEMP*(WATER/GAMA(10))**2.0\n A6 = XK3 *R*TEMP*(WATER/GAMA(11))**2.0\n A9 = XK17 *(WATER/GAMA(17))**3.0\n A13 = XK19 *(WATER/GAMA(19))**2.0\n A14 = XK20 *(WATER/GAMA(20))**2.0\nC\nC CALCULATE DISSOCIATION QUANTITIES\nC\n PSI5 = CHI5*(PSI6 + PSI7 + PSI14 + 2.D0*PSI16 + 2.D0*PSI17) -\n & A6/A5*(PSI8+2.D0*PSI12+PSI13+2.D0*PSI15)*(CHI6-PSI6-PSI3)\n PSI5 = PSI5/(A6/A5*(CHI6-PSI6-PSI3) + PSI6 + PSI7 + PSI14 +\n & 2.D0*PSI16 + 2.D0*PSI17)\n PSI5 = MIN (MAX (PSI5, TINY) , CHI5)\nC\n IF (W(3).GT.TINY .AND. WATER.GT.TINY) THEN ! First try 3rd order soln\n BB =-(CHI4 + PSI6 + PSI5 + 1.d0/A4)\n CC = CHI4*(PSI5+PSI6)\n DD = MAX(BB*BB-4.d0*CC,ZERO)\n PSI4 =0.5d0*(-BB - SQRT(DD))\n PSI4 = MIN(MAX(PSI4,ZERO),CHI4)\n ELSE\n PSI4 = TINY\n ENDIF\nC\n IF (CHI13.GT.TINY .AND. WATER.GT.TINY) THEN !KNO3\n VHTA = PSI5+PSI8+2.D0*PSI12+2.D0*PSI15+PSI14+2.D0*PSI9\n GKAMA = (PSI5+PSI8+2.D0*PSI12+2.D0*PSI15)*(2.D0*PSI9+PSI14)-A13\n DELTA = MAX(VHTA*VHTA-4.d0*GKAMA,ZERO)\n PSI13 = 0.5d0*(-VHTA + SQRT(DELTA))\n PSI13 = MIN(MAX(PSI13,ZERO),CHI13)\n ENDIF\nC\n IF (CHI14.GT.TINY .AND. WATER.GT.TINY) THEN !KCL\n PSI14 = A14/A13*(PSI5+PSI8+2.D0*PSI12+PSI13+2.D0*PSI15) -\n & PSI6-PSI7-2.D0*PSI16-2.D0*PSI17\n PSI14 = MIN (MAX (PSI14, ZERO), CHI14)\n ENDIF\nC\n IF (CHI9.GT.TINY .AND. WATER.GT.TINY) THEN !K2SO4\n BBP = PSI10+PSI13+PSI14\n CCP = (PSI13+PSI14)*(0.25D0*(PSI13+PSI14)+PSI10)\n DDP = 0.25D0*(PSI13+PSI14)**2.0*PSI10-A9/4.D0\n CALL POLY3 (BBP, CCP, DDP, PSI9, ISLV)\n IF (ISLV.EQ.0) THEN\n PSI9 = MIN (MAX(PSI9,ZERO) , CHI9)\n ELSE\n PSI9 = ZERO\n ENDIF\n ENDIF\nC\nC\nC *** CALCULATE SPECIATION ********************************************\nC\n MOLAL (2) = PSI8 + PSI7 ! NAI\n MOLAL (3) = PSI4 ! NH4I\n MOLAL (4) = PSI6 + PSI7 + PSI14 + 2.D0*PSI16 + 2.D0*PSI17 ! CLI\n MOLAL (5) = PSI9 + PSI10 ! SO4I\n MOLAL (6) = ZERO ! HSO4I\n MOLAL (7) = PSI5 + PSI8 + 2.D0*PSI12 + PSI13 + 2.D0*PSI15 ! NO3I\n MOLAL (8) = PSI11 + PSI12 + PSI17 ! CAI\n MOLAL (9) = 2.D0*PSI9 + PSI13 + PSI14 ! KI\n MOLAL (10)= PSI10 + PSI15 + PSI16 ! MGI\nC\nC *** CALCULATE H+ *****************************************************\nC\nC REST = 2.D0*W(2) + W(4) + W(5)\nCC\nC DELT1 = 0.0d0\nC DELT2 = 0.0d0\nC IF (W(1)+W(6)+W(7)+W(8).GT.REST) THEN\nCC\nCC *** CALCULATE EQUILIBRIUM CONSTANTS **********************************\nCC\nC ALFA1 = XK26*RH*(WATER/1.0) ! CO2(aq) + H2O\nC ALFA2 = XK27*(WATER/1.0) ! HCO3-\nCC\nC X = W(1)+W(6)+W(7)+W(8) - REST ! EXCESS OF CRUSTALS EQUALS CO2(aq)\nCC\nC DIAK = SQRT( (ALFA1)**2.0 + 4.0D0*ALFA1*X)\nC DELT1 = 0.5*(-ALFA1 + DIAK)\nC DELT1 = MIN ( MAX (DELT1, ZERO), X)\nC DELT2 = ALFA2\nC DELT2 = MIN ( DELT2, DELT1)\nC MOLAL(1) = DELT1 + DELT2 ! H+\nC ELSE\nCC\nCC *** NO EXCESS OF CRUSTALS CALCULATE H+ *******************************\nCC\n SMIN = 2.d0*MOLAL(5)+MOLAL(7)+MOLAL(4)-MOLAL(2)-MOLAL(3)\n & - MOLAL(9) - 2.D0*MOLAL(10) - 2.D0*MOLAL(8)\n CALL CALCPH (SMIN, HI, OHI)\n MOLAL (1) = HI\nC ENDIF\nC\n GNH3 = MAX(CHI4 - PSI4, TINY)\n GHNO3 = MAX(CHI5 - PSI5, TINY)\n GHCL = MAX(CHI6 - PSI6, TINY)\nC\n CNH4NO3 = ZERO\n CNH4CL = ZERO\n CNACL = ZERO\n CNANO3 = ZERO\n CK2SO4 = MAX (CHI9 - PSI9, ZERO)\n CMGSO4 = ZERO\n CCASO4 = CHI11\n CCANO32 = ZERO\n CKNO3 = MAX (CHI13 - PSI13, ZERO)\n CKCL = MAX (CHI14 - PSI14, ZERO)\n CMGNO32 = ZERO\n CMGCL2 = ZERO\n CCACL2 = ZERO\nC\n CALL CALCMR ! Water content\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nC\nC *** CALCULATE FUNCTION VALUE FOR OUTER LOOP ***************************\nC\nC20 FUNCP9 = MOLAL(3)*MOLAL(4)/GHCL/GNH3/A6/A4 - ONE\n20 FUNCP9 = MOLAL(1)*MOLAL(4)/GHCL/A6 - ONE\nC\n RETURN\nC\nC *** END OF FUNCTION FUNCP9 *******************************************\nC\n END\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCP8\nC *** CASE P8\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; Rcr+Na >= 2.0 ; Rcr > 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : CaSO4, K2SO4, KNO3, MGSO4, KCL, NH4CL\nC 4. Completely dissolved: CA(NO3)2, CACL2,\nC MG(NO3)2, MGCL2, NANO3, NACL, NH4NO3\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCP8\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n CALAOU = .TRUE.\n CHI11 = MIN (W(2), W(6)) ! CCASO4\n FRCA = MAX (W(6) - CHI11, ZERO)\n FRSO4 = MAX (W(2) - CHI11, ZERO)\n CHI9 = MIN (FRSO4, 0.5D0*W(7)) ! CK2SO4\n FRK = MAX (W(7) - 2.D0*CHI9, ZERO)\n FRSO4 = MAX (FRSO4 - CHI9, ZERO)\n CHI10 = FRSO4 ! CMGSO4\n FRMG = MAX (W(8) - CHI10, ZERO)\n CHI7 = MIN (W(1), W(5)) ! CNACL\n FRNA = MAX (W(1) - CHI7, ZERO)\n FRCL = MAX (W(5) - CHI7, ZERO)\n CHI12 = MIN (FRCA, 0.5D0*W(4)) ! CCANO32\n FRCA = MAX (FRCA - CHI12, ZERO)\n FRNO3 = MAX (W(4) - 2.D0*CHI12, ZERO)\n CHI17 = MIN (FRCA, 0.5D0*FRCL) ! CCACL2\n FRCA = MAX (FRCA - CHI17, ZERO)\n FRCL = MAX (FRCL - 2.D0*CHI17, ZERO)\n CHI15 = MIN (FRMG, 0.5D0*FRNO3) ! CMGNO32\n FRMG = MAX (FRMG - CHI15, ZERO)\n FRNO3 = MAX (FRNO3 - 2.D0*CHI15, ZERO)\n CHI16 = MIN (FRMG, 0.5D0*FRCL) ! CMGCL2\n FRMG = MAX (FRMG - CHI16, ZERO)\n FRCL = MAX (FRCL - 2.D0*CHI16, ZERO)\n CHI8 = MIN (FRNA, FRNO3) ! CNANO3\n FRNA = MAX (FRNA - CHI8, ZERO)\n FRNO3 = MAX (FRNO3 - CHI8, ZERO)\n CHI14 = MIN (FRK, FRCL) ! CKCL\n FRK = MAX (FRK - CHI14, ZERO)\n FRCL = MAX (FRCL - CHI14, ZERO)\n CHI13 = MIN (FRK, FRNO3) ! CKNO3\n FRK = MAX (FRK - CHI13, ZERO)\n FRNO3 = MAX (FRNO3 - CHI13, ZERO)\nC\n CHI5 = FRNO3 ! HNO3(g)\n CHI6 = FRCL ! HCL(g)\n CHI4 = W(3) ! NH3(g)\nC\n CHI3 = ZERO ! CNH4CL\n CHI1 = ZERO\n CHI2 = ZERO\nC\n PSI6LO = TINY\n PSI6HI = CHI6-TINY ! MIN(CHI6-TINY, CHI4)\nC\nC *** INITIAL VALUES FOR BISECTION ************************************\nC\n X1 = PSI6LO\n Y1 = FUNCP8 (X1)\n IF (ABS(Y1).LE.EPS .OR. CHI6.LE.TINY) GOTO 50\nC\nC *** ROOT TRACKING ; FOR THE RANGE OF HI AND LO **********************\nC\n DX = (PSI6HI-PSI6LO)/FLOAT(NDIV)\n DO 10 I=1,NDIV\n X2 = X1+DX\n Y2 = FUNCP8 (X2)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y2).LT.ZERO) GOTO 20 ! (Y1*Y2.LT.ZERO)\n X1 = X2\n Y1 = Y2\n10 CONTINUE\nC\nC *** NO SUBDIVISION WITH SOLUTION; IF ABS(Y2) 2.0) ; Rcr+Na >= 2.0 ; Rcr > 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : CaSO4, K2SO4, KNO3, MGSO4, KCL, NH4CL\nC 4. Completely dissolved: CA(NO3)2, CACL2,\nC MG(NO3)2, MGCL2, NANO3, NACL, NH4NO3\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n DOUBLE PRECISION FUNCTION FUNCP8 (X)\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n PSI6 = X\n PSI1 = ZERO\n PSI2 = ZERO\n PSI3 = ZERO\n PSI7 = CHI7\n PSI8 = CHI8\n PSI9 = ZERO\n PSI10 = CHI10\n PSI11 = ZERO\n PSI12 = CHI12\n PSI13 = ZERO\n PSI14 = ZERO\n PSI15 = CHI15\n PSI16 = CHI16\n PSI17 = CHI17\n FRST = .TRUE.\n CALAIN = .TRUE.\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A4 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2.0\n A5 = XK4 *R*TEMP*(WATER/GAMA(10))**2.0\n A6 = XK3 *R*TEMP*(WATER/GAMA(11))**2.0\n A9 = XK17 *(WATER/GAMA(17))**3.0\n A13 = XK19 *(WATER/GAMA(19))**2.0\n A14 = XK20 *(WATER/GAMA(20))**2.0\nC\nC CALCULATE DISSOCIATION QUANTITIES\nC\n PSI5 = CHI5*(PSI6 + PSI7 + PSI14 + 2.D0*PSI16 + 2.D0*PSI17) -\n & A6/A5*(PSI8+2.D0*PSI12+PSI13+2.D0*PSI15)*(CHI6-PSI6-PSI3)\n PSI5 = PSI5/(A6/A5*(CHI6-PSI6-PSI3) + PSI6 + PSI7 + PSI14 +\n & 2.D0*PSI16 + 2.D0*PSI17)\n PSI5 = MIN (MAX (PSI5, TINY) , CHI5)\nC\n IF (W(3).GT.TINY .AND. WATER.GT.TINY) THEN ! First try 3rd order soln\n BB =-(CHI4 + PSI6 + PSI5 + 1.d0/A4)\n CC = CHI4*(PSI5+PSI6)\n DD = MAX(BB*BB-4.d0*CC,ZERO)\n PSI4 =0.5d0*(-BB - SQRT(DD))\n PSI4 = MIN(MAX(PSI4,ZERO),CHI4)\n ELSE\n PSI4 = TINY\n ENDIF\nC\n IF (CHI13.GT.TINY .AND. WATER.GT.TINY) THEN !KNO3\n VHTA = PSI5+PSI8+2.D0*PSI12+2.D0*PSI15+PSI14+2.D0*PSI9\n GKAMA = (PSI5+PSI8+2.D0*PSI12+2.D0*PSI15)*(2.D0*PSI9+PSI14)-A13\n DELTA = MAX(VHTA*VHTA-4.d0*GKAMA,ZERO)\n PSI13 = 0.5d0*(-VHTA + SQRT(DELTA))\n PSI13 = MIN(MAX(PSI13,ZERO),CHI13)\n ENDIF\nC\n IF (CHI14.GT.TINY .AND. WATER.GT.TINY) THEN !KCL\n PSI14 = A14/A13*(PSI5+PSI8+2.D0*PSI12+PSI13+2.D0*PSI15) -\n & PSI6-PSI7-2.D0*PSI16-2.D0*PSI17\n PSI14 = MIN (MAX (PSI14, ZERO), CHI14)\n ENDIF\nC\n IF (CHI9.GT.TINY .AND. WATER.GT.TINY) THEN !K2SO4\n BBP = PSI10+PSI13+PSI14\n CCP = (PSI13+PSI14)*(0.25D0*(PSI13+PSI14)+PSI10)\n DDP = 0.25D0*(PSI13+PSI14)**2.0*PSI10-A9/4.D0\n CALL POLY3 (BBP, CCP, DDP, PSI9, ISLV)\n IF (ISLV.EQ.0) THEN\n PSI9 = MIN (MAX(PSI9,ZERO) , CHI9)\n ELSE\n PSI9 = ZERO\n ENDIF\n ENDIF\nC\nC\nC *** CALCULATE SPECIATION ********************************************\nC\n MOLAL (2) = PSI8 + PSI7 ! NAI\n MOLAL (3) = PSI4 ! NH4I\n MOLAL (4) = PSI6 + PSI7 + PSI14 + 2.D0*PSI16 + 2.D0*PSI17 ! CLI\n MOLAL (5) = PSI9 + PSI10 ! SO4I\n MOLAL (6) = ZERO ! HSO4I\n MOLAL (7) = PSI5 + PSI8 + 2.D0*PSI12 + PSI13 + 2.D0*PSI15 ! NO3I\n MOLAL (8) = PSI11 + PSI12 + PSI17 ! CAI\n MOLAL (9) = 2.D0*PSI9 + PSI13 + PSI14 ! KI\n MOLAL (10)= PSI10 + PSI15 + PSI16 ! MGI\nC\nC *** CALCULATE H+ *****************************************************\nC\nC REST = 2.D0*W(2) + W(4) + W(5)\nCC\nC DELT1 = 0.0d0\nC DELT2 = 0.0d0\nC IF (W(1)+W(6)+W(7)+W(8).GT.REST) THEN\nCC\nCC *** CALCULATE EQUILIBRIUM CONSTANTS **********************************\nCC\nC ALFA1 = XK26*RH*(WATER/1.0) ! CO2(aq) + H2O\nC ALFA2 = XK27*(WATER/1.0) ! HCO3-\nC\nC X = W(1)+W(6)+W(7)+W(8) - REST ! EXCESS OF CRUSTALS EQUALS CO2(aq)\nCC\nC DIAK = SQRT( (ALFA1)**2.0 + 4.0D0*ALFA1*X)\nC DELT1 = 0.5*(-ALFA1 + DIAK)\nC DELT1 = MIN ( MAX (DELT1, ZERO), X)\nC DELT2 = ALFA2\nC DELT2 = MIN ( DELT2, DELT1)\nC MOLAL(1) = DELT1 + DELT2 ! H+\nC ELSE\nCC\nCC *** NO EXCESS OF CRUSTALS CALCULATE H+ *******************************\nCC\n SMIN = 2.d0*MOLAL(5)+MOLAL(7)+MOLAL(4)-MOLAL(2)-MOLAL(3)\n & - MOLAL(9) - 2.D0*MOLAL(10) - 2.D0*MOLAL(8)\n CALL CALCPH (SMIN, HI, OHI)\n MOLAL (1) = HI\nC ENDIF\nC\n GNH3 = MAX(CHI4 - PSI4, TINY)\n GHNO3 = MAX(CHI5 - PSI5, TINY)\n GHCL = MAX(CHI6 - PSI6, TINY)\nC\n CNH4NO3 = ZERO\nC CNH4CL = ZERO\n CNACL = ZERO\n CNANO3 = ZERO\n CK2SO4 = MAX (CHI9 - PSI9, ZERO)\n CMGSO4 = ZERO\n CCASO4 = CHI11\n CCANO32 = ZERO\n CKNO3 = MAX (CHI13 - PSI13, ZERO)\n CKCL = MAX (CHI14 - PSI14, ZERO)\n CMGNO32 = ZERO\n CMGCL2 = ZERO\n CCACL2 = ZERO\nC\nC *** NH4Cl(s) calculations\nC\n A3 = XK6 /(R*TEMP*R*TEMP)\n IF (GNH3*GHCL.GT.A3) THEN\n DELT = MIN(GNH3, GHCL)\n BB = -(GNH3+GHCL)\n CC = GNH3*GHCL-A3\n DD = BB*BB - 4.D0*CC\n PSI31 = 0.5D0*(-BB + SQRT(DD))\n PSI32 = 0.5D0*(-BB - SQRT(DD))\n IF (DELT-PSI31.GT.ZERO .AND. PSI31.GT.ZERO) THEN\n PSI3 = PSI31\n ELSEIF (DELT-PSI32.GT.ZERO .AND. PSI32.GT.ZERO) THEN\n PSI3 = PSI32\n ELSE\n PSI3 = ZERO\n ENDIF\n ELSE\n PSI3 = ZERO\n ENDIF\n PSI3 = MAX(MIN(MIN(PSI3,CHI4-PSI4),CHI6-PSI6),ZERO)\nC\nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n GNH3 = MAX(GNH3 - PSI3, TINY)\n GHCL = MAX(GHCL - PSI3, TINY)\n CNH4CL = PSI3\nC\n CALL CALCMR ! Water content\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nC\nC *** CALCULATE FUNCTION VALUE FOR OUTER LOOP ***************************\nC\nC20 FUNCP8 = MOLAL(3)*MOLAL(4)/GHCL/GNH3/A6/A4 - ONE\n20 FUNCP8 = MOLAL(1)*MOLAL(4)/GHCL/A6 - ONE\nC\n RETURN\nC\nC *** END OF FUNCTION FUNCP8 *******************************************\nC\n END\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCP7\nC *** CASE P7\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; Rcr+Na >= 2.0 ; Rcr > 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : CaSO4, K2SO4, KNO3, MGSO4, KCL, NH4CL, NACL\nC 4. Completely dissolved: CA(NO3)2, CACL2,\nC MG(NO3)2, MGCL2, NANO3, NH4NO3\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCP7\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n CALAOU = .TRUE.\n CHI11 = MIN (W(2), W(6)) ! CCASO4\n FRCA = MAX (W(6) - CHI11, ZERO)\n FRSO4 = MAX (W(2) - CHI11, ZERO)\n CHI9 = MIN (FRSO4, 0.5D0*W(7)) ! CK2SO4\n FRK = MAX (W(7) - 2.D0*CHI9, ZERO)\n FRSO4 = MAX (FRSO4 - CHI9, ZERO)\n CHI10 = FRSO4 ! CMGSO4\n FRMG = MAX (W(8) - CHI10, ZERO)\n CHI7 = MIN (W(1), W(5)) ! CNACL\n FRNA = MAX (W(1) - CHI7, ZERO)\n FRCL = MAX (W(5) - CHI7, ZERO)\n CHI12 = MIN (FRCA, 0.5D0*W(4)) ! CCANO32\n FRCA = MAX (FRCA - CHI12, ZERO)\n FRNO3 = MAX (W(4) - 2.D0*CHI12, ZERO)\n CHI17 = MIN (FRCA, 0.5D0*FRCL) ! CCACL2\n FRCA = MAX (FRCA - CHI17, ZERO)\n FRCL = MAX (FRCL - 2.D0*CHI17, ZERO)\n CHI15 = MIN (FRMG, 0.5D0*FRNO3) ! CMGNO32\n FRMG = MAX (FRMG - CHI15, ZERO)\n FRNO3 = MAX (FRNO3 - 2.D0*CHI15, ZERO)\n CHI16 = MIN (FRMG, 0.5D0*FRCL) ! CMGCL2\n FRMG = MAX (FRMG - CHI16, ZERO)\n FRCL = MAX (FRCL - 2.D0*CHI16, ZERO)\n CHI8 = MIN (FRNA, FRNO3) ! CNANO3\n FRNA = MAX (FRNA - CHI8, ZERO)\n FRNO3 = MAX (FRNO3 - CHI8, ZERO)\n CHI14 = MIN (FRK, FRCL) ! CKCL\n FRK = MAX (FRK - CHI14, ZERO)\n FRCL = MAX (FRCL - CHI14, ZERO)\n CHI13 = MIN (FRK, FRNO3) ! CKNO3\n FRK = MAX (FRK - CHI13, ZERO)\n FRNO3 = MAX (FRNO3 - CHI13, ZERO)\nC\n CHI5 = FRNO3 ! HNO3(g)\n CHI6 = FRCL ! HCL(g)\n CHI4 = W(3) ! NH3(g)\nC\n CHI3 = ZERO ! CNH4CL\n CHI1 = ZERO\n CHI2 = ZERO\nC\n PSI6LO = TINY\n PSI6HI = CHI6-TINY ! MIN(CHI6-TINY, CHI4)\nC\nC *** INITIAL VALUES FOR BISECTION ************************************\nC\n X1 = PSI6LO\n Y1 = FUNCP7 (X1)\n IF (ABS(Y1).LE.EPS .OR. CHI6.LE.TINY) GOTO 50\nC\nC *** ROOT TRACKING ; FOR THE RANGE OF HI AND LO **********************\nC\n DX = (PSI6HI-PSI6LO)/FLOAT(NDIV)\n DO 10 I=1,NDIV\n X2 = X1+DX\n Y2 = FUNCP7 (X2)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y2).LT.ZERO) GOTO 20 ! (Y1*Y2.LT.ZERO)\n X1 = X2\n Y1 = Y2\n10 CONTINUE\nC\nC *** NO SUBDIVISION WITH SOLUTION; IF ABS(Y2) 2.0) ; Rcr+Na >= 2.0 ; Rcr > 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : CaSO4, K2SO4, KNO3, MGSO4, KCL, NH4CL, NACL\nC 4. Completely dissolved: CA(NO3)2, CACL2,\nC MG(NO3)2, MGCL2, NANO3, NH4NO3\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n DOUBLE PRECISION FUNCTION FUNCP7 (X)\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n PSI6 = X\n PSI1 = ZERO\n PSI2 = ZERO\n PSI3 = ZERO\n PSI7 = ZERO\n PSI8 = CHI8\n PSI9 = ZERO\n PSI10 = CHI10\n PSI11 = ZERO\n PSI12 = CHI12\n PSI13 = ZERO\n PSI14 = ZERO\n PSI15 = CHI15\n PSI16 = CHI16\n PSI17 = CHI17\n FRST = .TRUE.\n CALAIN = .TRUE.\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A4 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2.0\n A5 = XK4 *R*TEMP*(WATER/GAMA(10))**2.0\n A6 = XK3 *R*TEMP*(WATER/GAMA(11))**2.0\n A9 = XK17 *(WATER/GAMA(17))**3.0\n A13 = XK19 *(WATER/GAMA(19))**2.0\n A14 = XK20 *(WATER/GAMA(20))**2.0\n A7 = XK8 *(WATER/GAMA(1))**2.0\nC\nC CALCULATE DISSOCIATION QUANTITIES\nC\n PSI5 = CHI5*(PSI6 + PSI7 + PSI14 + 2.D0*PSI16 + 2.D0*PSI17) -\n & A6/A5*(PSI8+2.D0*PSI12+PSI13+2.D0*PSI15)*(CHI6-PSI6-PSI3)\n PSI5 = PSI5/(A6/A5*(CHI6-PSI6-PSI3) + PSI6 + PSI7 + PSI14 +\n & 2.D0*PSI16 + 2.D0*PSI17)\n PSI5 = MIN (MAX (PSI5, TINY) , CHI5)\nC\n IF (W(3).GT.TINY .AND. WATER.GT.TINY) THEN ! First try 3rd order soln\n BB =-(CHI4 + PSI6 + PSI5 + 1.d0/A4)\n CC = CHI4*(PSI5+PSI6)\n DD = MAX(BB*BB-4.d0*CC,ZERO)\n PSI4 =0.5d0*(-BB - SQRT(DD))\n PSI4 = MIN(MAX(PSI4,ZERO),CHI4)\n ELSE\n PSI4 = TINY\n ENDIF\nC\n IF (CHI13.GT.TINY .AND. WATER.GT.TINY) THEN !KNO3\n VHTA = PSI5+PSI8+2.D0*PSI12+2.D0*PSI15+PSI14+2.D0*PSI9\n GKAMA = (PSI5+PSI8+2.D0*PSI12+2.D0*PSI15)*(2.D0*PSI9+PSI14)-A13\n DELTA = MAX(VHTA*VHTA-4.d0*GKAMA,ZERO)\n PSI13 = 0.5d0*(-VHTA + SQRT(DELTA))\n PSI13 = MIN(MAX(PSI13,ZERO),CHI13)\n ENDIF\nC\n IF (CHI14.GT.TINY .AND. WATER.GT.TINY) THEN !KCL\n PSI14 = A14/A13*(PSI5+PSI8+2.D0*PSI12+PSI13+2.D0*PSI15) -\n & PSI6-PSI7-2.D0*PSI16-2.D0*PSI17\n PSI14 = MIN (MAX (PSI14, ZERO), CHI14)\n ENDIF\nC\n IF (CHI9.GT.TINY .AND. WATER.GT.TINY) THEN !K2SO4\n BBP = PSI10+PSI13+PSI14\n CCP = (PSI13+PSI14)*(0.25D0*(PSI13+PSI14)+PSI10)\n DDP = 0.25D0*(PSI13+PSI14)**2.0*PSI10-A9/4.D0\n CALL POLY3 (BBP, CCP, DDP, PSI9, ISLV)\n IF (ISLV.EQ.0) THEN\n PSI9 = MIN (MAX(PSI9,ZERO) , CHI9)\n ELSE\n PSI9 = ZERO\n ENDIF\n ENDIF\nC\n IF (CHI7.GT.TINY .AND. WATER.GT.TINY) THEN ! NACL DISSOLUTION\n VITA = PSI6+PSI14+PSI8+2.D0*PSI16+2.D0*PSI17\n GKAMA= PSI8*(2.D0*PSI16+PSI6+PSI14+2.D0*PSI17)-A7\n DIAK = MAX(VITA*VITA - 4.0D0*GKAMA,ZERO)\n PSI7 = 0.5D0*( -VITA + SQRT(DIAK) )\n PSI7 = MAX(MIN(PSI7, CHI7), ZERO)\n ENDIF\nC\nC\nC *** CALCULATE SPECIATION ********************************************\nC\n MOLAL (2) = PSI8 + PSI7 ! NAI\n MOLAL (3) = PSI4 ! NH4I\n MOLAL (4) = PSI6 + PSI7 + PSI14 + 2.D0*PSI16 + 2.D0*PSI17 ! CLI\n MOLAL (5) = PSI9 + PSI10 ! SO4I\n MOLAL (6) = ZERO ! HSO4I\n MOLAL (7) = PSI5 + PSI8 + 2.D0*PSI12 + PSI13 + 2.D0*PSI15 ! NO3I\n MOLAL (8) = PSI11 + PSI12 + PSI17 ! CAI\n MOLAL (9) = 2.D0*PSI9 + PSI13 + PSI14 ! KI\n MOLAL (10)= PSI10 + PSI15 + PSI16 ! MGI\nC\nC *** CALCULATE H+ *****************************************************\nC\nC REST = 2.D0*W(2) + W(4) + W(5)\nCC\nC DELT1 = 0.0d0\nC DELT2 = 0.0d0\nC IF (W(1)+W(6)+W(7)+W(8).GT.REST) THEN\nCC\nCC *** CALCULATE EQUILIBRIUM CONSTANTS **********************************\nCC\nC ALFA1 = XK26*RH*(WATER/1.0) ! CO2(aq) + H2O\nC ALFA2 = XK27*(WATER/1.0) ! HCO3-\nCC\nC X = W(1)+W(6)+W(7)+W(8) - REST ! EXCESS OF CRUSTALS EQUALS CO2(aq)\nCC\nC DIAK = SQRT( (ALFA1)**2.0 + 4.0D0*ALFA1*X)\nC DELT1 = 0.5*(-ALFA1 + DIAK)\nC DELT1 = MIN ( MAX (DELT1, ZERO), X)\nC DELT2 = ALFA2\nC DELT2 = MIN ( DELT2, DELT1)\nC MOLAL(1) = DELT1 + DELT2 ! H+\nC ELSE\nCC\nCC *** NO EXCESS OF CRUSTALS CALCULATE H+ *******************************\nCC\n SMIN = 2.d0*MOLAL(5)+MOLAL(7)+MOLAL(4)-MOLAL(2)-MOLAL(3)\n & - MOLAL(9) - 2.D0*MOLAL(10) - 2.D0*MOLAL(8)\n CALL CALCPH (SMIN, HI, OHI)\n MOLAL (1) = HI\nC ENDIF\nC\n GNH3 = MAX(CHI4 - PSI4, TINY)\n GHNO3 = MAX(CHI5 - PSI5, TINY)\n GHCL = MAX(CHI6 - PSI6, TINY)\nC\n CNH4NO3 = ZERO\nC CNH4CL = ZERO\n CNACL = MAX (CHI7 - PSI7, ZERO)\n CNANO3 = ZERO\n CK2SO4 = MAX (CHI9 - PSI9, ZERO)\n CMGSO4 = ZERO\n CCASO4 = CHI11\n CCANO32 = ZERO\n CKNO3 = MAX (CHI13 - PSI13, ZERO)\n CKCL = MAX (CHI14 - PSI14, ZERO)\n CMGNO32 = ZERO\n CMGCL2 = ZERO\n CCACL2 = ZERO\nC\nC *** NH4Cl(s) calculations\nC\n A3 = XK6 /(R*TEMP*R*TEMP)\n IF (GNH3*GHCL.GT.A3) THEN\n DELT = MIN(GNH3, GHCL)\n BB = -(GNH3+GHCL)\n CC = GNH3*GHCL-A3\n DD = BB*BB - 4.D0*CC\n PSI31 = 0.5D0*(-BB + SQRT(DD))\n PSI32 = 0.5D0*(-BB - SQRT(DD))\n IF (DELT-PSI31.GT.ZERO .AND. PSI31.GT.ZERO) THEN\n PSI3 = PSI31\n ELSEIF (DELT-PSI32.GT.ZERO .AND. PSI32.GT.ZERO) THEN\n PSI3 = PSI32\n ELSE\n PSI3 = ZERO\n ENDIF\n ELSE\n PSI3 = ZERO\n ENDIF\n PSI3 = MAX(MIN(MIN(PSI3,CHI4-PSI4),CHI6-PSI6),ZERO)\nC\nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n GNH3 = MAX(GNH3 - PSI3, TINY)\n GHCL = MAX(GHCL - PSI3, TINY)\n CNH4CL = PSI3\nC\n CALL CALCMR ! Water content\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nC\nC *** CALCULATE FUNCTION VALUE FOR OUTER LOOP ***************************\nC\nC20 FUNCP7 = MOLAL(3)*MOLAL(4)/GHCL/GNH3/A6/A4 - ONE\n20 FUNCP7 = MOLAL(1)*MOLAL(4)/GHCL/A6 - ONE\nC\n RETURN\nC\nC *** END OF FUNCTION FUNCP7 *******************************************\nC\n END\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCP6\nC *** CASE P6\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; Rcr+Na >= 2.0 ; Rcr > 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : CaSO4, K2SO4, KNO3, MGSO4, KCL, NH4CL, NACL, NANO3\nC 4. Completely dissolved: CA(NO3)2, CACL2,\nC MG(NO3)2, MGCL2, NH4NO3\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCP6\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n CALAOU = .TRUE.\n CHI11 = MIN (W(2), W(6)) ! CCASO4\n FRCA = MAX (W(6) - CHI11, ZERO)\n FRSO4 = MAX (W(2) - CHI11, ZERO)\n CHI9 = MIN (FRSO4, 0.5D0*W(7)) ! CK2SO4\n FRK = MAX (W(7) - 2.D0*CHI9, ZERO)\n FRSO4 = MAX (FRSO4 - CHI9, ZERO)\n CHI10 = FRSO4 ! CMGSO4\n FRMG = MAX (W(8) - CHI10, ZERO)\n CHI7 = MIN (W(1), W(5)) ! CNACL\n FRNA = MAX (W(1) - CHI7, ZERO)\n FRCL = MAX (W(5) - CHI7, ZERO)\n CHI12 = MIN (FRCA, 0.5D0*W(4)) ! CCANO32\n FRCA = MAX (FRCA - CHI12, ZERO)\n FRNO3 = MAX (W(4) - 2.D0*CHI12, ZERO)\n CHI17 = MIN (FRCA, 0.5D0*FRCL) ! CCACL2\n FRCA = MAX (FRCA - CHI17, ZERO)\n FRCL = MAX (FRCL - 2.D0*CHI17, ZERO)\n CHI15 = MIN (FRMG, 0.5D0*FRNO3) ! CMGNO32\n FRMG = MAX (FRMG - CHI15, ZERO)\n FRNO3 = MAX (FRNO3 - 2.D0*CHI15, ZERO)\n CHI16 = MIN (FRMG, 0.5D0*FRCL) ! CMGCL2\n FRMG = MAX (FRMG - CHI16, ZERO)\n FRCL = MAX (FRCL - 2.D0*CHI16, ZERO)\n CHI8 = MIN (FRNA, FRNO3) ! CNANO3\n FRNA = MAX (FRNA - CHI8, ZERO)\n FRNO3 = MAX (FRNO3 - CHI8, ZERO)\n CHI14 = MIN (FRK, FRCL) ! CKCL\n FRK = MAX (FRK - CHI14, ZERO)\n FRCL = MAX (FRCL - CHI14, ZERO)\n CHI13 = MIN (FRK, FRNO3) ! CKNO3\n FRK = MAX (FRK - CHI13, ZERO)\n FRNO3 = MAX (FRNO3 - CHI13, ZERO)\nC\n CHI5 = FRNO3 ! HNO3(g)\n CHI6 = FRCL ! HCL(g)\n CHI4 = W(3) ! NH3(g)\nC\n CHI3 = ZERO ! CNH4CL\n CHI1 = ZERO\n CHI2 = ZERO\nC\n PSI6LO = TINY\n PSI6HI = CHI6-TINY ! MIN(CHI6-TINY, CHI4)\nC\nC *** INITIAL VALUES FOR BISECTION ************************************\nC\n X1 = PSI6LO\n Y1 = FUNCP6 (X1)\n IF (ABS(Y1).LE.EPS .OR. CHI6.LE.TINY) GOTO 50\nC\nC *** ROOT TRACKING ; FOR THE RANGE OF HI AND LO **********************\nC\n DX = (PSI6HI-PSI6LO)/FLOAT(NDIV)\n DO 10 I=1,NDIV\n X2 = X1+DX\n Y2 = FUNCP6 (X2)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y2).LT.ZERO) GOTO 20 ! (Y1*Y2.LT.ZERO)\n X1 = X2\n Y1 = Y2\n10 CONTINUE\nC\nC *** NO SUBDIVISION WITH SOLUTION; IF ABS(Y2) 2.0) ; Rcr+Na >= 2.0 ; Rcr > 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : CaSO4, K2SO4, KNO3, MGSO4, KCL, NH4CL, NACL, NANO3\nC 4. Completely dissolved: CA(NO3)2, CACL2,\nC MG(NO3)2, MGCL2, NH4NO3\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n DOUBLE PRECISION FUNCTION FUNCP6 (X)\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n PSI6 = X\n PSI1 = ZERO\n PSI2 = ZERO\n PSI3 = ZERO\n PSI7 = ZERO\n PSI8 = ZERO\n PSI9 = ZERO\n PSI10 = CHI10\n PSI11 = ZERO\n PSI12 = CHI12\n PSI13 = ZERO\n PSI14 = ZERO\n PSI15 = CHI15\n PSI16 = CHI16\n PSI17 = CHI17\n FRST = .TRUE.\n CALAIN = .TRUE.\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A4 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2.0\n A5 = XK4 *R*TEMP*(WATER/GAMA(10))**2.0\n A6 = XK3 *R*TEMP*(WATER/GAMA(11))**2.0\n A9 = XK17 *(WATER/GAMA(17))**3.0\n A13 = XK19 *(WATER/GAMA(19))**2.0\n A14 = XK20 *(WATER/GAMA(20))**2.0\n A7 = XK8 *(WATER/GAMA(1))**2.0\n A8 = XK9 *(WATER/GAMA(3))**2.0\nC\nC CALCULATE DISSOCIATION QUANTITIES\nC\n PSI5 = CHI5*(PSI6 + PSI7 + PSI14 + 2.D0*PSI16 + 2.D0*PSI17) -\n & A6/A5*(PSI8+2.D0*PSI12+PSI13+2.D0*PSI15)*(CHI6-PSI6-PSI3)\n PSI5 = PSI5/(A6/A5*(CHI6-PSI6-PSI3) + PSI6 + PSI7 + PSI14 +\n & 2.D0*PSI16 + 2.D0*PSI17)\n PSI5 = MIN (MAX (PSI5, TINY) , CHI5)\nC\n IF (W(3).GT.TINY .AND. WATER.GT.TINY) THEN ! First try 3rd order soln\n BB =-(CHI4 + PSI6 + PSI5 + 1.d0/A4)\n CC = CHI4*(PSI5+PSI6)\n DD = MAX(BB*BB-4.d0*CC,ZERO)\n PSI4 =0.5d0*(-BB - SQRT(DD))\n PSI4 = MIN(MAX(PSI4,ZERO),CHI4)\n ELSE\n PSI4 = TINY\n ENDIF\nC\n IF (CHI13.GT.TINY .AND. WATER.GT.TINY) THEN !KNO3\n VHTA = PSI5+PSI8+2.D0*PSI12+2.D0*PSI15+PSI14+2.D0*PSI9\n GKAMA = (PSI5+PSI8+2.D0*PSI12+2.D0*PSI15)*(2.D0*PSI9+PSI14)-A13\n DELTA = MAX(VHTA*VHTA-4.d0*GKAMA,ZERO)\n PSI13 = 0.5d0*(-VHTA + SQRT(DELTA))\n PSI13 = MIN(MAX(PSI13,ZERO),CHI13)\n ENDIF\nC\n IF (CHI14.GT.TINY .AND. WATER.GT.TINY) THEN !KCL\n PSI14 = A14/A13*(PSI5+PSI8+2.D0*PSI12+PSI13+2.D0*PSI15) -\n & PSI6-PSI7-2.D0*PSI16-2.D0*PSI17\n PSI14 = MIN (MAX (PSI14, ZERO), CHI14)\n ENDIF\nC\n IF (CHI9.GT.TINY .AND. WATER.GT.TINY) THEN !K2SO4\n BBP = PSI10+PSI13+PSI14\n CCP = (PSI13+PSI14)*(0.25D0*(PSI13+PSI14)+PSI10)\n DDP = 0.25D0*(PSI13+PSI14)**2.0*PSI10-A9/4.D0\n CALL POLY3 (BBP, CCP, DDP, PSI9, ISLV)\n IF (ISLV.EQ.0) THEN\n PSI9 = MIN (MAX(PSI9,ZERO) , CHI9)\n ELSE\n PSI9 = ZERO\n ENDIF\n ENDIF\nC\n IF (CHI7.GT.TINY .AND. WATER.GT.TINY) THEN ! NACL DISSOLUTION\n VITA = PSI6+PSI14+PSI8+2.D0*PSI16+2.D0*PSI17\n GKAMA= PSI8*(2.D0*PSI16+PSI6+PSI14+2.D0*PSI17)-A7\n DIAK = MAX(VITA*VITA - 4.0D0*GKAMA,ZERO)\n PSI7 = 0.5D0*( -VITA + SQRT(DIAK) )\n PSI7 = MAX(MIN(PSI7, CHI7), ZERO)\n ENDIF\nC\n IF (CHI8.GT.TINY .AND. WATER.GT.TINY) THEN ! NANO3 DISSOLUTION\nC VIT = PSI5+PSI13+PSI7+2.D0*PSI12+2.D0*PSI15\nC GKAM = PSI7*(2.D0*PSI12+PSI5+PSI13+2.D0*PSI15)-A8\nC DIA = MAX(VIT*VIT - 4.0D0*GKAM,ZERO)\nC PSI8 = 0.5D0*( -VIT + SQRT(DIA) )\n PSI8 = A8/A7*(PSI6+PSI7+PSI14+2.D0*PSI16+2.D0*PSI17)-\n & PSI5-2.D0*PSI12-PSI13-2.D0*PSI15\n PSI8 = MAX(MIN(PSI8, CHI8), ZERO)\n ENDIF\nC\nC\nC *** CALCULATE SPECIATION ********************************************\nC\n MOLAL (2) = PSI8 + PSI7 ! NAI\n MOLAL (3) = PSI4 ! NH4I\n MOLAL (4) = PSI6 + PSI7 + PSI14 + 2.D0*PSI16 + 2.D0*PSI17 ! CLI\n MOLAL (5) = PSI9 + PSI10 ! SO4I\n MOLAL (6) = ZERO ! HSO4I\n MOLAL (7) = PSI5 + PSI8 + 2.D0*PSI12 + PSI13 + 2.D0*PSI15 ! NO3I\n MOLAL (8) = PSI11 + PSI12 + PSI17 ! CAI\n MOLAL (9) = 2.D0*PSI9 + PSI13 + PSI14 ! KI\n MOLAL (10)= PSI10 + PSI15 + PSI16 ! MGI\nC\nC *** CALCULATE H+ *****************************************************\nC\nC REST = 2.D0*W(2) + W(4) + W(5)\nCC\nC DELT1 = 0.0d0\nC DELT2 = 0.0d0\nC IF (W(1)+W(6)+W(7)+W(8).GT.REST) THEN\nC\nCC *** CALCULATE EQUILIBRIUM CONSTANTS **********************************\nCC\nC ALFA1 = XK26*RH*(WATER/1.0) ! CO2(aq) + H2O\nC ALFA2 = XK27*(WATER/1.0) ! HCO3-\nCC\nC X = W(1)+W(6)+W(7)+W(8) - REST ! EXCESS OF CRUSTALS EQUALS CO2(aq)\nCC\nC DIAK = SQRT( (ALFA1)**2.0 + 4.0D0*ALFA1*X)\nC DELT1 = 0.5*(-ALFA1 + DIAK)\nC DELT1 = MIN ( MAX (DELT1, ZERO), X)\nC DELT2 = ALFA2\nC DELT2 = MIN ( DELT2, DELT1)\nC MOLAL(1) = DELT1 + DELT2 ! H+\nC ELSE\nCC\nCC *** NO EXCESS OF CRUSTALS CALCULATE H+ *******************************\nCC\n SMIN = 2.d0*MOLAL(5)+MOLAL(7)+MOLAL(4)-MOLAL(2)-MOLAL(3)\n & - MOLAL(9) - 2.D0*MOLAL(10) - 2.D0*MOLAL(8)\n CALL CALCPH (SMIN, HI, OHI)\n MOLAL (1) = HI\nC ENDIF\nC\n GNH3 = MAX(CHI4 - PSI4, TINY)\n GHNO3 = MAX(CHI5 - PSI5, TINY)\n GHCL = MAX(CHI6 - PSI6, TINY)\nC\n CNH4NO3 = ZERO\nC CNH4CL = ZERO\n CNACL = MAX (CHI7 - PSI7, ZERO)\n CNANO3 = MAX (CHI8 - PSI8, ZERO)\n CK2SO4 = MAX (CHI9 - PSI9, ZERO)\n CMGSO4 = ZERO\n CCASO4 = CHI11\n CCANO32 = ZERO\n CKNO3 = MAX (CHI13 - PSI13, ZERO)\n CKCL = MAX (CHI14 - PSI14, ZERO)\n CMGNO32 = ZERO\n CMGCL2 = ZERO\n CCACL2 = ZERO\nC\nC *** NH4Cl(s) calculations\nC\n A3 = XK6 /(R*TEMP*R*TEMP)\n IF (GNH3*GHCL.GT.A3) THEN\n DELT = MIN(GNH3, GHCL)\n BB = -(GNH3+GHCL)\n CC = GNH3*GHCL-A3\n DD = BB*BB - 4.D0*CC\n PSI31 = 0.5D0*(-BB + SQRT(DD))\n PSI32 = 0.5D0*(-BB - SQRT(DD))\n IF (DELT-PSI31.GT.ZERO .AND. PSI31.GT.ZERO) THEN\n PSI3 = PSI31\n ELSEIF (DELT-PSI32.GT.ZERO .AND. PSI32.GT.ZERO) THEN\n PSI3 = PSI32\n ELSE\n PSI3 = ZERO\n ENDIF\n ELSE\n PSI3 = ZERO\n ENDIF\n PSI3 = MAX(MIN(MIN(PSI3,CHI4-PSI4),CHI6-PSI6),ZERO)\nC\nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n GNH3 = MAX(GNH3 - PSI3, TINY)\n GHCL = MAX(GHCL - PSI3, TINY)\n CNH4CL = PSI3\nC\n CALL CALCMR ! Water content\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nC\nC *** CALCULATE FUNCTION VALUE FOR OUTER LOOP ***************************\nC\nC20 FUNCP6 = MOLAL(3)*MOLAL(4)/GHCL/GNH3/A6/A4 - ONE\n20 FUNCP6 = MOLAL(1)*MOLAL(4)/GHCL/A6 - ONE\nC\n RETURN\nC\nC *** END OF FUNCTION FUNCP6 *******************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCP5\nC *** CASE P5\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; Rcr+Na >= 2.0 ; Rcr > 2)\nC 2. SOLID AEROSOL ONLY\nC 3. SOLIDS POSSIBLE : CaSO4, K2SO4, KNO3, KCL, MGSO4,\nC NANO3, NACL, NH4NO3, NH4CL\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCP5\n INCLUDE 'isrpia.inc'\n EXTERNAL CALCP1A, CALCP6\nC\nC *** REGIME DEPENDS ON THE EXISTANCE OF WATER AND OF THE RH ************\nC\n IF (W(4).GT.TINY) THEN ! NO3 EXIST, WATER POSSIBLE\n SCASE = 'P5 ; SUBCASE 1'\n CALL CALCP5A\n SCASE = 'P5 ; SUBCASE 1'\n ELSE ! NO3, CL NON EXISTANT\n SCASE = 'P1 ; SUBCASE 1'\n CALL CALCP1A\n SCASE = 'P1 ; SUBCASE 1'\n ENDIF\nC\n IF (WATER.LE.TINY) THEN\n IF (RH.LT.DRMP5) THEN ! ONLY SOLIDS\n WATER = TINY\n DO 10 I=1,NIONS\n MOLAL(I) = ZERO\n10 CONTINUE\n CALL CALCP1A\n SCASE = 'P5 ; SUBCASE 2'\n RETURN\n ELSE\n SCASE = 'P5 ; SUBCASE 3' ! MDRH REGION (CaSO4, K2SO4, KNO3, KCL, MGSO4,\nC NANO3, NACL, NH4NO3, NH4CL)\n CALL CALCMDRH2 (RH, DRMP5, DRNH4NO3, CALCP1A, CALCP6)\n SCASE = 'P5 ; SUBCASE 3'\n ENDIF\n ENDIF\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCP5 ******************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCP5A\nC *** CASE P5A\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; Rcr+Na >= 2.0 ; Rcr > 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : CaSO4, K2SO4, KNO3, MGSO4, KCL, NH4CL, NACL, NANO3, NH4NO3\nC 4. Completely dissolved: CA(NO3)2, CACL2,\nC MG(NO3)2, MGCL2\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCP5A\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n CALAOU = .TRUE.\n CHI11 = MIN (W(2), W(6)) ! CCASO4\n FRCA = MAX (W(6) - CHI11, ZERO)\n FRSO4 = MAX (W(2) - CHI11, ZERO)\n CHI9 = MIN (FRSO4, 0.5D0*W(7)) ! CK2SO4\n FRK = MAX (W(7) - 2.D0*CHI9, ZERO)\n FRSO4 = MAX (FRSO4 - CHI9, ZERO)\n CHI10 = FRSO4 ! CMGSO4\n FRMG = MAX (W(8) - CHI10, ZERO)\n CHI7 = MIN (W(1), W(5)) ! CNACL\n FRNA = MAX (W(1) - CHI7, ZERO)\n FRCL = MAX (W(5) - CHI7, ZERO)\n CHI12 = MIN (FRCA, 0.5D0*W(4)) ! CCANO32\n FRCA = MAX (FRCA - CHI12, ZERO)\n FRNO3 = MAX (W(4) - 2.D0*CHI12, ZERO)\n CHI17 = MIN (FRCA, 0.5D0*FRCL) ! CCACL2\n FRCA = MAX (FRCA - CHI17, ZERO)\n FRCL = MAX (FRCL - 2.D0*CHI17, ZERO)\n CHI15 = MIN (FRMG, 0.5D0*FRNO3) ! CMGNO32\n FRMG = MAX (FRMG - CHI15, ZERO)\n FRNO3 = MAX (FRNO3 - 2.D0*CHI15, ZERO)\n CHI16 = MIN (FRMG, 0.5D0*FRCL) ! CMGCL2\n FRMG = MAX (FRMG - CHI16, ZERO)\n FRCL = MAX (FRCL - 2.D0*CHI16, ZERO)\n CHI8 = MIN (FRNA, FRNO3) ! CNANO3\n FRNA = MAX (FRNA - CHI8, ZERO)\n FRNO3 = MAX (FRNO3 - CHI8, ZERO)\n CHI14 = MIN (FRK, FRCL) ! CKCL\n FRK = MAX (FRK - CHI14, ZERO)\n FRCL = MAX (FRCL - CHI14, ZERO)\n CHI13 = MIN (FRK, FRNO3) ! CKNO3\n FRK = MAX (FRK - CHI13, ZERO)\n FRNO3 = MAX (FRNO3 - CHI13, ZERO)\nC\n CHI5 = FRNO3 ! HNO3(g)\n CHI6 = FRCL ! HCL(g)\n CHI4 = W(3) ! NH3(g)\nC\n CHI3 = ZERO ! CNH4CL\n CHI1 = ZERO\n CHI2 = ZERO\nC\n PSI6LO = TINY\n PSI6HI = CHI6-TINY ! MIN(CHI6-TINY, CHI4)\nC\nC *** INITIAL VALUES FOR BISECTION ************************************\nC\n X1 = PSI6LO\n Y1 = FUNCP5 (X1)\n IF (ABS(Y1).LE.EPS .OR. CHI6.LE.TINY) GOTO 50\nC\nC *** ROOT TRACKING ; FOR THE RANGE OF HI AND LO **********************\nC\n DX = (PSI6HI-PSI6LO)/FLOAT(NDIV)\n DO 10 I=1,NDIV\n X2 = X1+DX\n Y2 = FUNCP5 (X2)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y2).LT.ZERO) GOTO 20 ! (Y1*Y2.LT.ZERO)\n X1 = X2\n Y1 = Y2\n10 CONTINUE\nC\nC *** NO SUBDIVISION WITH SOLUTION; IF ABS(Y2) 2.0) ; Rcr+Na >= 2.0 ; Rcr > 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : CaSO4, K2SO4, KNO3, MGSO4, KCL, NH4CL, NACL, NANO3, NH4NO3\nC 4. Completely dissolved: CA(NO3)2, CACL2,\nC MG(NO3)2, MGCL2\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n DOUBLE PRECISION FUNCTION FUNCP5 (X)\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n PSI6 = X\n PSI1 = ZERO\n PSI2 = ZERO\n PSI3 = ZERO\n PSI7 = ZERO\n PSI8 = ZERO\n PSI9 = ZERO\n PSI10 = CHI10\n PSI11 = ZERO\n PSI12 = CHI12\n PSI13 = ZERO\n PSI14 = ZERO\n PSI15 = CHI15\n PSI16 = CHI16\n PSI17 = CHI17\n FRST = .TRUE.\n CALAIN = .TRUE.\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A4 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2.0\n A5 = XK4 *R*TEMP*(WATER/GAMA(10))**2.0\n A6 = XK3 *R*TEMP*(WATER/GAMA(11))**2.0\n A9 = XK17 *(WATER/GAMA(17))**3.0\n A13 = XK19 *(WATER/GAMA(19))**2.0\n A14 = XK20 *(WATER/GAMA(20))**2.0\n A7 = XK8 *(WATER/GAMA(1))**2.0\n A8 = XK9 *(WATER/GAMA(3))**2.0\nC\nC CALCULATE DISSOCIATION QUANTITIES\nC\n PSI5 = (CHI5-PSI2)*(PSI6 + PSI7 + PSI14 + 2.D0*PSI16 + 2.D0*PSI17)\n & - A6/A5*(PSI8+2.D0*PSI12+PSI13+2.D0*PSI15)*(CHI6-PSI6-PSI3)\n PSI5 = PSI5/(A6/A5*(CHI6-PSI6-PSI3) + PSI6 + PSI7 + PSI14 +\n & 2.D0*PSI16 + 2.D0*PSI17)\n PSI5 = MIN (MAX (PSI5, TINY) , CHI5)\nC\n IF (W(3).GT.TINY .AND. WATER.GT.TINY) THEN ! First try 3rd order soln\n BB =-(CHI4 + PSI6 + PSI5 + 1.d0/A4)\n CC = CHI4*(PSI5+PSI6)\n DD = MAX(BB*BB-4.d0*CC,ZERO)\n PSI4 =0.5d0*(-BB - SQRT(DD))\n PSI4 = MIN(MAX(PSI4,ZERO),CHI4)\n ELSE\n PSI4 = TINY\n ENDIF\nC\n IF (CHI13.GT.TINY .AND. WATER.GT.TINY) THEN !KNO3\n VHTA = PSI5+PSI8+2.D0*PSI12+2.D0*PSI15+PSI14+2.D0*PSI9\n GKAMA = (PSI5+PSI8+2.D0*PSI12+2.D0*PSI15)*(2.D0*PSI9+PSI14)-A13\n DELTA = MAX(VHTA*VHTA-4.d0*GKAMA,ZERO)\n PSI13 = 0.5d0*(-VHTA + SQRT(DELTA))\n PSI13 = MIN(MAX(PSI13,ZERO),CHI13)\n ENDIF\nC\n IF (CHI14.GT.TINY .AND. WATER.GT.TINY) THEN !KCL\n PSI14 = A14/A13*(PSI5+PSI8+2.D0*PSI12+PSI13+2.D0*PSI15) -\n & PSI6-PSI7-2.D0*PSI16-2.D0*PSI17\n PSI14 = MIN (MAX (PSI14, ZERO), CHI14)\n ENDIF\nC\n IF (CHI9.GT.TINY .AND. WATER.GT.TINY) THEN !K2SO4\n BBP = PSI10+PSI13+PSI14\n CCP = (PSI13+PSI14)*(0.25D0*(PSI13+PSI14)+PSI10)\n DDP = 0.25D0*(PSI13+PSI14)**2.0*PSI10-A9/4.D0\n CALL POLY3 (BBP, CCP, DDP, PSI9, ISLV)\n IF (ISLV.EQ.0) THEN\n PSI9 = MIN (MAX(PSI9,ZERO) , CHI9)\n ELSE\n PSI9 = ZERO\n ENDIF\n ENDIF\nC\n IF (CHI7.GT.TINY .AND. WATER.GT.TINY) THEN ! NACL DISSOLUTION\n VITA = PSI6+PSI14+PSI8+2.D0*PSI16+2.D0*PSI17\n GKAMA= PSI8*(2.D0*PSI16+PSI6+PSI14+2.D0*PSI17)-A7\n DIAK = MAX(VITA*VITA - 4.0D0*GKAMA,ZERO)\n PSI7 = 0.5D0*( -VITA + SQRT(DIAK) )\n PSI7 = MAX(MIN(PSI7, CHI7), ZERO)\n ENDIF\nC\n IF (CHI8.GT.TINY .AND. WATER.GT.TINY) THEN ! NANO3 DISSOLUTION\nC VIT = PSI5+PSI13+PSI7+2.D0*PSI12+2.D0*PSI15\nC GKAM = PSI7*(2.D0*PSI12+PSI5+PSI13+2.D0*PSI15)-A8\nC DIA = MAX(VIT*VIT - 4.0D0*GKAM,ZERO)\nC PSI8 = 0.5D0*( -VIT + SQRT(DIA) )\n PSI8 = A8/A7*(PSI6+PSI7+PSI14+2.D0*PSI16+2.D0*PSI17)-\n & PSI5-2.D0*PSI12-PSI13-2.D0*PSI15\n PSI8 = MAX(MIN(PSI8, CHI8), ZERO)\n ENDIF\nC\nC\nC *** CALCULATE SPECIATION ********************************************\nC\n MOLAL (2) = PSI8 + PSI7 ! NAI\n MOLAL (3) = PSI4 ! NH4I\n MOLAL (4) = PSI6 + PSI7 + PSI14 + 2.D0*PSI16 + 2.D0*PSI17 ! CLI\n MOLAL (5) = PSI9 + PSI10 ! SO4I\n MOLAL (6) = ZERO ! HSO4I\n MOLAL (7) = PSI5 + PSI8 + 2.D0*PSI12 + PSI13 + 2.D0*PSI15 ! NO3I\n MOLAL (8) = PSI11 + PSI12 + PSI17 ! CAI\n MOLAL (9) = 2.D0*PSI9 + PSI13 + PSI14 ! KI\n MOLAL (10)= PSI10 + PSI15 + PSI16 ! MGI\nCC\nCC *** CALCULATE H+ *****************************************************\nCC\nC REST = 2.D0*W(2) + W(4) + W(5)\nCC\nC DELT1 = 0.0d0\nC DELT2 = 0.0d0\nC IF (W(1)+W(6)+W(7)+W(8).GT.REST) THEN\nCC\nCC *** CALCULATE EQUILIBRIUM CONSTANTS **********************************\nCC\nC ALFA1 = XK26*RH*(WATER/1.0) ! CO2(aq) + H2O\nC ALFA2 = XK27*(WATER/1.0) ! HCO3-\nCC\nC X = W(1)+W(6)+W(7)+W(8) - REST ! EXCESS OF CRUSTALS EQUALS CO2(aq)\nCC\nC DIAK = SQRT( (ALFA1)**2.0 + 4.0D0*ALFA1*X)\nC DELT1 = 0.5*(-ALFA1 + DIAK)\nC DELT1 = MIN ( MAX (DELT1, ZERO), X)\nC DELT2 = ALFA2\nC DELT2 = MIN ( DELT2, DELT1)\nC MOLAL(1) = DELT1 + DELT2 ! H+\nC ELSE\nCC\nCC *** NO EXCESS OF CRUSTALS CALCULATE H+ *******************************\nCC\n SMIN = 2.d0*MOLAL(5)+MOLAL(7)+MOLAL(4)-MOLAL(2)-MOLAL(3)\n & - MOLAL(9) - 2.D0*MOLAL(10) - 2.D0*MOLAL(8)\n CALL CALCPH (SMIN, HI, OHI)\n MOLAL (1) = HI\nC ENDIF\nC\n GNH3 = MAX(CHI4 - PSI4, TINY)\n GHNO3 = MAX(CHI5 - PSI5, TINY)\n GHCL = MAX(CHI6 - PSI6, TINY)\nC\nC CNH4NO3 = ZERO\nC CNH4CL = ZERO\n CNACL = MAX (CHI7 - PSI7, ZERO)\n CNANO3 = MAX (CHI8 - PSI8, ZERO)\n CK2SO4 = MAX (CHI9 - PSI9, ZERO)\n CMGSO4 = ZERO\n CCASO4 = CHI11\n CCANO32 = ZERO\n CKNO3 = MAX (CHI13 - PSI13, ZERO)\n CKCL = MAX (CHI14 - PSI14, ZERO)\n CMGNO32 = ZERO\n CMGCL2 = ZERO\n CCACL2 = ZERO\nC\nC *** NH4Cl(s) calculations\nC\n A3 = XK6 /(R*TEMP*R*TEMP)\n IF (GNH3*GHCL.GT.A3) THEN\n DELT = MIN(GNH3, GHCL)\n BB = -(GNH3+GHCL)\n CC = GNH3*GHCL-A3\n DD = BB*BB - 4.D0*CC\n PSI31 = 0.5D0*(-BB + SQRT(DD))\n PSI32 = 0.5D0*(-BB - SQRT(DD))\n IF (DELT-PSI31.GT.ZERO .AND. PSI31.GT.ZERO) THEN\n PSI3 = PSI31\n ELSEIF (DELT-PSI32.GT.ZERO .AND. PSI32.GT.ZERO) THEN\n PSI3 = PSI32\n ELSE\n PSI3 = ZERO\n ENDIF\n ELSE\n PSI3 = ZERO\n ENDIF\n PSI3 = MAX(MIN(MIN(PSI3,CHI4-PSI4),CHI6-PSI6),ZERO)\nC\nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n GNH3 = MAX(GNH3 - PSI3, TINY)\n GHCL = MAX(GHCL - PSI3, TINY)\n CNH4CL = PSI3\nC\nC *** NH4NO3(s) calculations\nC\n A2 = XK10 /(R*TEMP*R*TEMP)\n IF (GNH3*GHNO3.GT.A2) THEN\n DELT = MIN(GNH3, GHNO3)\n BB = -(GNH3+GHNO3)\n CC = GNH3*GHNO3-A2\n DD = BB*BB - 4.D0*CC\n PSI21 = 0.5D0*(-BB + SQRT(DD))\n PSI22 = 0.5D0*(-BB - SQRT(DD))\n IF (DELT-PSI21.GT.ZERO .AND. PSI21.GT.ZERO) THEN\n PSI2 = PSI21\n ELSEIF (DELT-PSI22.GT.ZERO .AND. PSI22.GT.ZERO) THEN\n PSI2 = PSI22\n ELSE\n PSI2 = ZERO\n ENDIF\n ELSE\n PSI2 = ZERO\n ENDIF\n PSI2 = MAX(MIN(MIN(PSI2,CHI4-PSI4-PSI3),CHI5-PSI5), ZERO)\nC\nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n GNH3 = MAX(GNH3 - PSI2, TINY)\n GHCL = MAX(GHNO3 - PSI2, TINY)\n CNH4NO3 = PSI2\nC\n CALL CALCMR ! Water content\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nC\nC *** CALCULATE FUNCTION VALUE FOR OUTER LOOP ***************************\nC\nC20 FUNCP5 = MOLAL(3)*MOLAL(4)/GHCL/GNH3/A6/A4 - ONE\n20 FUNCP5 = MOLAL(1)*MOLAL(4)/GHCL/A6 - ONE\nC\n RETURN\nC\nC *** END OF FUNCTION FUNCP5 *******************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCP4\nC *** CASE P4\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; Rcr+Na >= 2.0 ; Rcr > 2)\nC 2. SOLID AEROSOL ONLY\nC 3. SOLIDS POSSIBLE : CaSO4, K2SO4, KNO3, KCL, MGSO4,\nC MG(NO3)2, NANO3, NACL, NH4NO3, NH4CL\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCP4\n INCLUDE 'isrpia.inc'\n EXTERNAL CALCP1A, CALCP5A\nC\nC *** REGIME DEPENDS ON THE EXISTANCE OF WATER AND OF THE RH ************\nC\n IF (W(4).GT.TINY) THEN ! NO3 EXIST, WATER POSSIBLE\n SCASE = 'P4 ; SUBCASE 1'\n CALL CALCP4A\n SCASE = 'P4 ; SUBCASE 1'\n ELSE ! NO3, CL NON EXISTANT\n SCASE = 'P1 ; SUBCASE 1'\n CALL CALCP1A\n SCASE = 'P1 ; SUBCASE 1'\n ENDIF\nC\n IF (WATER.LE.TINY) THEN\n IF (RH.LT.DRMP4) THEN ! ONLY SOLIDS\n WATER = TINY\n DO 10 I=1,NIONS\n MOLAL(I) = ZERO\n10 CONTINUE\n CALL CALCP1A\n SCASE = 'P4 ; SUBCASE 2'\n RETURN\n ELSE\n SCASE = 'P4 ; SUBCASE 3' ! MDRH REGION (CaSO4, K2SO4, KNO3, KCL, MGSO4,\nC MG(NO3)2, NANO3, NACL, NH4NO3, NH4CL)\n CALL CALCMDRH2 (RH, DRMP4, DRMGNO32, CALCP1A, CALCP5A)\n SCASE = 'P4 ; SUBCASE 3'\n ENDIF\n ENDIF\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCP4 ******************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCP4A\nC *** CASE P4A\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; Rcr+Na >= 2.0 ; Rcr > 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : CaSO4, K2SO4, KNO3, MGSO4, KCL, NH4CL, NACL, NANO3, NH4NO3, MG(NO3)2\nC 4. Completely dissolved: CA(NO3)2, CACL2, MGCL2\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCP4A\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n CALAOU = .TRUE.\n CHI11 = MIN (W(2), W(6)) ! CCASO4\n FRCA = MAX (W(6) - CHI11, ZERO)\n FRSO4 = MAX (W(2) - CHI11, ZERO)\n CHI9 = MIN (FRSO4, 0.5D0*W(7)) ! CK2SO4\n FRK = MAX (W(7) - 2.D0*CHI9, ZERO)\n FRSO4 = MAX (FRSO4 - CHI9, ZERO)\n CHI10 = FRSO4 ! CMGSO4\n FRMG = MAX (W(8) - CHI10, ZERO)\n CHI7 = MIN (W(1), W(5)) ! CNACL\n FRNA = MAX (W(1) - CHI7, ZERO)\n FRCL = MAX (W(5) - CHI7, ZERO)\n CHI12 = MIN (FRCA, 0.5D0*W(4)) ! CCANO32\n FRCA = MAX (FRCA - CHI12, ZERO)\n FRNO3 = MAX (W(4) - 2.D0*CHI12, ZERO)\n CHI17 = MIN (FRCA, 0.5D0*FRCL) ! CCACL2\n FRCA = MAX (FRCA - CHI17, ZERO)\n FRCL = MAX (FRCL - 2.D0*CHI17, ZERO)\n CHI15 = MIN (FRMG, 0.5D0*FRNO3) ! CMGNO32\n FRMG = MAX (FRMG - CHI15, ZERO)\n FRNO3 = MAX (FRNO3 - 2.D0*CHI15, ZERO)\n CHI16 = MIN (FRMG, 0.5D0*FRCL) ! CMGCL2\n FRMG = MAX (FRMG - CHI16, ZERO)\n FRCL = MAX (FRCL - 2.D0*CHI16, ZERO)\n CHI8 = MIN (FRNA, FRNO3) ! CNANO3\n FRNA = MAX (FRNA - CHI8, ZERO)\n FRNO3 = MAX (FRNO3 - CHI8, ZERO)\n CHI14 = MIN (FRK, FRCL) ! CKCL\n FRK = MAX (FRK - CHI14, ZERO)\n FRCL = MAX (FRCL - CHI14, ZERO)\n CHI13 = MIN (FRK, FRNO3) ! CKNO3\n FRK = MAX (FRK - CHI13, ZERO)\n FRNO3 = MAX (FRNO3 - CHI13, ZERO)\nC\n CHI5 = FRNO3 ! HNO3(g)\n CHI6 = FRCL ! HCL(g)\n CHI4 = W(3) ! NH3(g)\nC\n CHI3 = ZERO ! CNH4CL\n CHI1 = ZERO\n CHI2 = ZERO\nC\n PSI6LO = TINY\n PSI6HI = CHI6-TINY ! MIN(CHI6-TINY, CHI4)\nC\nC *** INITIAL VALUES FOR BISECTION ************************************\nC\n X1 = PSI6LO\n Y1 = FUNCP4 (X1)\n IF (ABS(Y1).LE.EPS .OR. CHI6.LE.TINY) GOTO 50\nC\nC *** ROOT TRACKING ; FOR THE RANGE OF HI AND LO **********************\nC\n DX = (PSI6HI-PSI6LO)/FLOAT(NDIV)\n DO 10 I=1,NDIV\n X2 = X1+DX\n Y2 = FUNCP4 (X2)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y2).LT.ZERO) GOTO 20 ! (Y1*Y2.LT.ZERO)\n X1 = X2\n Y1 = Y2\n10 CONTINUE\nC\nC *** NO SUBDIVISION WITH SOLUTION; IF ABS(Y2) 2.0) ; Rcr+Na >= 2.0 ; Rcr > 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : CaSO4, K2SO4, KNO3, MGSO4, KCL, NH4CL, NACL, NANO3, NH4NO3, MG(NO3)2\nC 4. Completely dissolved: CA(NO3)2, CACL2, MGCL2\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n DOUBLE PRECISION FUNCTION FUNCP4 (X)\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n PSI6 = X\n PSI1 = ZERO\n PSI2 = ZERO\n PSI3 = ZERO\n PSI7 = ZERO\n PSI8 = ZERO\n PSI9 = ZERO\n PSI10 = CHI10\n PSI11 = ZERO\n PSI12 = CHI12\n PSI13 = ZERO\n PSI14 = ZERO\n PSI15 = CHI15\n PSI16 = CHI16\n PSI17 = CHI17\n FRST = .TRUE.\n CALAIN = .TRUE.\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A4 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2.0\n A5 = XK4 *R*TEMP*(WATER/GAMA(10))**2.0\n A6 = XK3 *R*TEMP*(WATER/GAMA(11))**2.0\n A9 = XK17 *(WATER/GAMA(17))**3.0\n A13 = XK19 *(WATER/GAMA(19))**2.0\n A14 = XK20 *(WATER/GAMA(20))**2.0\n A7 = XK8 *(WATER/GAMA(1))**2.0\n A8 = XK9 *(WATER/GAMA(3))**2.0\nC\nC CALCULATE DISSOCIATION QUANTITIES\nC\n PSI5 = (CHI5-PSI2)*(PSI6 + PSI7 + PSI14 + 2.D0*PSI16 + 2.D0*PSI17)\n & - A6/A5*(PSI8+2.D0*PSI12+PSI13+2.D0*PSI15)*(CHI6-PSI6-PSI3)\n PSI5 = PSI5/(A6/A5*(CHI6-PSI6-PSI3) + PSI6 + PSI7 + PSI14 +\n & 2.D0*PSI16 + 2.D0*PSI17)\n PSI5 = MIN (MAX (PSI5, TINY) , CHI5)\nC\n IF (W(3).GT.TINY .AND. WATER.GT.TINY) THEN ! First try 3rd order soln\n BB =-(CHI4 + PSI6 + PSI5 + 1.d0/A4)\n CC = CHI4*(PSI5+PSI6)\n DD = MAX(BB*BB-4.d0*CC,ZERO)\n PSI4 =0.5d0*(-BB - SQRT(DD))\n PSI4 = MIN(MAX(PSI4,ZERO),CHI4)\n ELSE\n PSI4 = TINY\n ENDIF\nC\n IF (CHI13.GT.TINY .AND. WATER.GT.TINY) THEN !KNO3\n VHTA = PSI5+PSI8+2.D0*PSI12+2.D0*PSI15+PSI14+2.D0*PSI9\n GKAMA = (PSI5+PSI8+2.D0*PSI12+2.D0*PSI15)*(2.D0*PSI9+PSI14)-A13\n DELTA = MAX(VHTA*VHTA-4.d0*GKAMA,ZERO)\n PSI13 = 0.5d0*(-VHTA + SQRT(DELTA))\n PSI13 = MIN(MAX(PSI13,ZERO),CHI13)\n ENDIF\nC\n IF (CHI14.GT.TINY .AND. WATER.GT.TINY) THEN !KCL\n PSI14 = A14/A13*(PSI5+PSI8+2.D0*PSI12+PSI13+2.D0*PSI15) -\n & PSI6-PSI7-2.D0*PSI16-2.D0*PSI17\n PSI14 = MIN (MAX (PSI14, ZERO), CHI14)\n ENDIF\nC\n IF (CHI9.GT.TINY .AND. WATER.GT.TINY) THEN !K2SO4\n BBP = PSI10+PSI13+PSI14\n CCP = (PSI13+PSI14)*(0.25D0*(PSI13+PSI14)+PSI10)\n DDP = 0.25D0*(PSI13+PSI14)**2.0*PSI10-A9/4.D0\n CALL POLY3 (BBP, CCP, DDP, PSI9, ISLV)\n IF (ISLV.EQ.0) THEN\n PSI9 = MIN (MAX(PSI9,ZERO) , CHI9)\n ELSE\n PSI9 = ZERO\n ENDIF\n ENDIF\nC\n IF (CHI7.GT.TINY .AND. WATER.GT.TINY) THEN ! NACL DISSOLUTION\n VITA = PSI6+PSI14+PSI8+2.D0*PSI16+2.D0*PSI17\n GKAMA= PSI8*(2.D0*PSI16+PSI6+PSI14+2.D0*PSI17)-A7\n DIAK = MAX(VITA*VITA - 4.0D0*GKAMA,ZERO)\n PSI7 = 0.5D0*( -VITA + SQRT(DIAK) )\n PSI7 = MAX(MIN(PSI7, CHI7), ZERO)\n ENDIF\nC\n IF (CHI8.GT.TINY .AND. WATER.GT.TINY) THEN ! NANO3 DISSOLUTION\nC VIT = PSI5+PSI13+PSI7+2.D0*PSI12+2.D0*PSI15\nC GKAM = PSI7*(2.D0*PSI12+PSI5+PSI13+2.D0*PSI15)-A8\nC DIA = MAX(VIT*VIT - 4.0D0*GKAM,ZERO)\nC PSI8 = 0.5D0*( -VIT + SQRT(DIA) )\n PSI8 = A8/A7*(PSI6+PSI7+PSI14+2.D0*PSI16+2.D0*PSI17)-\n & PSI5-2.D0*PSI12-PSI13-2.D0*PSI15\n PSI8 = MAX(MIN(PSI8, CHI8), ZERO)\n ENDIF\nC\nC\nC *** CALCULATE SPECIATION ********************************************\nC\n MOLAL (2) = PSI8 + PSI7 ! NAI\n MOLAL (3) = PSI4 ! NH4I\n MOLAL (4) = PSI6 + PSI7 + PSI14 + 2.D0*PSI16 + 2.D0*PSI17 ! CLI\n MOLAL (5) = PSI9 + PSI10 ! SO4I\n MOLAL (6) = ZERO ! HSO4I\n MOLAL (7) = PSI5 + PSI8 + 2.D0*PSI12 + PSI13 + 2.D0*PSI15 ! NO3I\n MOLAL (8) = PSI11 + PSI12 + PSI17 ! CAI\n MOLAL (9) = 2.D0*PSI9 + PSI13 + PSI14 ! KI\n MOLAL (10)= PSI10 + PSI15 + PSI16 ! MGI\nC\nC *** CALCULATE H+ *****************************************************\nC\nC REST = 2.D0*W(2) + W(4) + W(5)\nCC\nC DELT1 = 0.0d0\nC DELT2 = 0.0d0\nC IF (W(1)+W(6)+W(7)+W(8).GT.REST) THEN\nCC\nCC *** CALCULATE EQUILIBRIUM CONSTANTS **********************************\nCC\nC ALFA1 = XK26*RH*(WATER/1.0) ! CO2(aq) + H2O\nC ALFA2 = XK27*(WATER/1.0) ! HCO3-\nCC\nC X = W(1)+W(6)+W(7)+W(8) - REST ! EXCESS OF CRUSTALS EQUALS CO2(aq)\nCC\nC DIAK = SQRT( (ALFA1)**2.0 + 4.0D0*ALFA1*X)\nC DELT1 = 0.5*(-ALFA1 + DIAK)\nC DELT1 = MIN ( MAX (DELT1, ZERO), X)\nC DELT2 = ALFA2\nC DELT2 = MIN ( DELT2, DELT1)\nC MOLAL(1) = DELT1 + DELT2 ! H+\nC ELSE\nCC\nCC *** NO EXCESS OF CRUSTALS CALCULATE H+ *******************************\nCC\n SMIN = 2.d0*MOLAL(5)+MOLAL(7)+MOLAL(4)-MOLAL(2)-MOLAL(3)\n & - MOLAL(9) - 2.D0*MOLAL(10) - 2.D0*MOLAL(8)\n CALL CALCPH (SMIN, HI, OHI)\n MOLAL (1) = HI\nC ENDIF\nC\n GNH3 = MAX(CHI4 - PSI4, TINY)\n GHNO3 = MAX(CHI5 - PSI5, TINY)\n GHCL = MAX(CHI6 - PSI6, TINY)\nC\nC CNH4CL = ZERO\nC CNH4NO3 = ZERO\n CNACL = MAX (CHI7 - PSI7, ZERO)\n CNANO3 = MAX (CHI8 - PSI8, ZERO)\n CK2SO4 = MAX (CHI9 - PSI9, ZERO)\n CMGSO4 = ZERO\n CCASO4 = CHI11\n CCANO32 = ZERO\n CKNO3 = MAX (CHI13 - PSI13, ZERO)\n CKCL = MAX (CHI14 - PSI14, ZERO)\n CMGNO32 = ZERO\n CMGCL2 = ZERO\n CCACL2 = ZERO\nC\nC *** NH4Cl(s) calculations\nC\n A3 = XK6 /(R*TEMP*R*TEMP)\n IF (GNH3*GHCL.GT.A3) THEN\n DELT = MIN(GNH3, GHCL)\n BB = -(GNH3+GHCL)\n CC = GNH3*GHCL-A3\n DD = BB*BB - 4.D0*CC\n PSI31 = 0.5D0*(-BB + SQRT(DD))\n PSI32 = 0.5D0*(-BB - SQRT(DD))\n IF (DELT-PSI31.GT.ZERO .AND. PSI31.GT.ZERO) THEN\n PSI3 = PSI31\n ELSEIF (DELT-PSI32.GT.ZERO .AND. PSI32.GT.ZERO) THEN\n PSI3 = PSI32\n ELSE\n PSI3 = ZERO\n ENDIF\n ELSE\n PSI3 = ZERO\n ENDIF\n PSI3 = MAX(MIN(MIN(PSI3,CHI4-PSI4),CHI6-PSI6),ZERO)\nC\nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n GNH3 = MAX(GNH3 - PSI3, TINY)\n GHCL = MAX(GHCL - PSI3, TINY)\n CNH4CL = PSI3\nC\nC *** NH4NO3(s) calculations\nC\n A2 = XK10 /(R*TEMP*R*TEMP)\n IF (GNH3*GHNO3.GT.A2) THEN\n DELT = MIN(GNH3, GHNO3)\n BB = -(GNH3+GHNO3)\n CC = GNH3*GHNO3-A2\n DD = BB*BB - 4.D0*CC\n PSI21 = 0.5D0*(-BB + SQRT(DD))\n PSI22 = 0.5D0*(-BB - SQRT(DD))\n IF (DELT-PSI21.GT.ZERO .AND. PSI21.GT.ZERO) THEN\n PSI2 = PSI21\n ELSEIF (DELT-PSI22.GT.ZERO .AND. PSI22.GT.ZERO) THEN\n PSI2 = PSI22\n ELSE\n PSI2 = ZERO\n ENDIF\n ELSE\n PSI2 = ZERO\n ENDIF\n PSI2 = MAX(MIN(MIN(PSI2,CHI4-PSI4-PSI3),CHI5-PSI5), ZERO)\nC\nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n GNH3 = MAX(GNH3 - PSI2, TINY)\n GHCL = MAX(GHNO3 - PSI2, TINY)\n CNH4NO3 = PSI2\nC\n CALL CALCMR ! Water content\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nC\nC *** CALCULATE FUNCTION VALUE FOR OUTER LOOP ***************************\nC\nC20 FUNCP4 = MOLAL(3)*MOLAL(4)/GHCL/GNH3/A6/A4 - ONE\n20 FUNCP4 = MOLAL(1)*MOLAL(4)/GHCL/A6 - ONE\nC\n RETURN\nC\nC *** END OF FUNCTION FUNCP4 *******************************************\nC\n END\n\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCP3\nC *** CASE P3\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; Rcr+Na >= 2.0 ; Rcr > 2)\nC 2. SOLID AEROSOL ONLY\nC 3. SOLIDS POSSIBLE : CaSO4, CA(NO3)2, K2SO4, KNO3, KCL, MGSO4,\nC MG(NO3)2, NANO3, NACL, NH4NO3, NH4CL\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCP3\n INCLUDE 'isrpia.inc'\n EXTERNAL CALCP1A, CALCP4A\nC\nC *** REGIME DEPENDS ON THE EXISTANCE OF WATER AND OF THE RH ************\nC\n IF (W(4).GT.TINY .AND. W(5).GT.TINY) THEN ! NO3,CL EXIST, WATER POSSIBLE\n SCASE = 'P3 ; SUBCASE 1'\n CALL CALCP3A\n SCASE = 'P3 ; SUBCASE 1'\n ELSE ! NO3, CL NON EXISTANT\n SCASE = 'P1 ; SUBCASE 1'\n CALL CALCP1A\n SCASE = 'P1 ; SUBCASE 1'\n ENDIF\nC\n IF (WATER.LE.TINY) THEN\n IF (RH.LT.DRMP3) THEN ! ONLY SOLIDS\n WATER = TINY\n DO 10 I=1,NIONS\n MOLAL(I) = ZERO\n10 CONTINUE\n CALL CALCP1A\n SCASE = 'P3 ; SUBCASE 2'\n RETURN\n ELSE\n SCASE = 'P3 ; SUBCASE 3' ! MDRH REGION (CaSO4, CA(NO3)2, K2SO4, KNO3, KCL, MGSO4,\nC MG(NO3)2, NANO3, NACL, NH4NO3, NH4CL)\n CALL CALCMDRH2 (RH, DRMP3, DRCANO32, CALCP1A, CALCP4A)\n SCASE = 'P3 ; SUBCASE 3'\n ENDIF\n ENDIF\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCP3 ******************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCP3A\nC *** CASE P3A\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; Rcr+Na >= 2.0 ; Rcr > 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : CaSO4, K2SO4, KNO3, MGSO4, KCL, NH4CL, NACL,\nC NANO3, NH4NO3, MG(NO3)2, CA(NO3)2\nC 4. Completely dissolved: CACL2, MGCL2\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCP3A\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n CALAOU = .TRUE.\n CHI11 = MIN (W(2), W(6)) ! CCASO4\n FRCA = MAX (W(6) - CHI11, ZERO)\n FRSO4 = MAX (W(2) - CHI11, ZERO)\n CHI9 = MIN (FRSO4, 0.5D0*W(7)) ! CK2SO4\n FRK = MAX (W(7) - 2.D0*CHI9, ZERO)\n FRSO4 = MAX (FRSO4 - CHI9, ZERO)\n CHI10 = FRSO4 ! CMGSO4\n FRMG = MAX (W(8) - CHI10, ZERO)\n CHI7 = MIN (W(1), W(5)) ! CNACL\n FRNA = MAX (W(1) - CHI7, ZERO)\n FRCL = MAX (W(5) - CHI7, ZERO)\n CHI12 = MIN (FRCA, 0.5D0*W(4)) ! CCANO32\n FRCA = MAX (FRCA - CHI12, ZERO)\n FRNO3 = MAX (W(4) - 2.D0*CHI12, ZERO)\n CHI17 = MIN (FRCA, 0.5D0*FRCL) ! CCACL2\n FRCA = MAX (FRCA - CHI17, ZERO)\n FRCL = MAX (FRCL - 2.D0*CHI17, ZERO)\n CHI15 = MIN (FRMG, 0.5D0*FRNO3) ! CMGNO32\n FRMG = MAX (FRMG - CHI15, ZERO)\n FRNO3 = MAX (FRNO3 - 2.D0*CHI15, ZERO)\n CHI16 = MIN (FRMG, 0.5D0*FRCL) ! CMGCL2\n FRMG = MAX (FRMG - CHI16, ZERO)\n FRCL = MAX (FRCL - 2.D0*CHI16, ZERO)\n CHI8 = MIN (FRNA, FRNO3) ! CNANO3\n FRNA = MAX (FRNA - CHI8, ZERO)\n FRNO3 = MAX (FRNO3 - CHI8, ZERO)\n CHI14 = MIN (FRK, FRCL) ! CKCL\n FRK = MAX (FRK - CHI14, ZERO)\n FRCL = MAX (FRCL - CHI14, ZERO)\n CHI13 = MIN (FRK, FRNO3) ! CKNO3\n FRK = MAX (FRK - CHI13, ZERO)\n FRNO3 = MAX (FRNO3 - CHI13, ZERO)\nC\n CHI5 = FRNO3 ! HNO3(g)\n CHI6 = FRCL ! HCL(g)\n CHI4 = W(3) ! NH3(g)\nC\n CHI3 = ZERO ! CNH4CL\n CHI1 = ZERO\n CHI2 = ZERO\nC\n PSI6LO = TINY\n PSI6HI = CHI6-TINY ! MIN(CHI6-TINY, CHI4)\nC\nC *** INITIAL VALUES FOR BISECTION ************************************\nC\n X1 = PSI6LO\n Y1 = FUNCP3 (X1)\n IF (ABS(Y1).LE.EPS .OR. CHI6.LE.TINY) GOTO 50\nC\nC *** ROOT TRACKING ; FOR THE RANGE OF HI AND LO **********************\nC\n DX = (PSI6HI-PSI6LO)/FLOAT(NDIV)\n DO 10 I=1,NDIV\n X2 = X1+DX\n Y2 = FUNCP3 (X2)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y2).LT.ZERO) GOTO 20 ! (Y1*Y2.LT.ZERO)\n X1 = X2\n Y1 = Y2\n10 CONTINUE\nC\nC *** NO SUBDIVISION WITH SOLUTION; IF ABS(Y2) 2.0) ; Rcr+Na >= 2.0 ; Rcr > 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : CaSO4, K2SO4, KNO3, MGSO4, KCL, NH4CL, NACL,\nC NANO3, NH4NO3, MG(NO3)2, CA(NO3)2\nC 4. Completely dissolved: CACL2, MGCL2\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n DOUBLE PRECISION FUNCTION FUNCP3 (X)\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n PSI6 = X\n PSI1 = ZERO\n PSI2 = ZERO\n PSI3 = ZERO\n PSI7 = ZERO\n PSI8 = ZERO\n PSI9 = ZERO\n PSI10 = CHI10\n PSI11 = ZERO\n PSI12 = CHI12\n PSI13 = ZERO\n PSI14 = ZERO\n PSI15 = CHI15\n PSI16 = CHI16\n PSI17 = CHI17\n FRST = .TRUE.\n CALAIN = .TRUE.\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A4 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2.0\n A5 = XK4 *R*TEMP*(WATER/GAMA(10))**2.0\n A6 = XK3 *R*TEMP*(WATER/GAMA(11))**2.0\n A9 = XK17 *(WATER/GAMA(17))**3.0\n A13 = XK19 *(WATER/GAMA(19))**2.0\n A14 = XK20 *(WATER/GAMA(20))**2.0\n A7 = XK8 *(WATER/GAMA(1))**2.0\n A8 = XK9 *(WATER/GAMA(3))**2.0\nC\nC CALCULATE DISSOCIATION QUANTITIES\nC\n PSI5 = (CHI5-PSI2)*(PSI6 + PSI7 + PSI14 + 2.D0*PSI16 + 2.D0*PSI17)\n & - A6/A5*(PSI8+2.D0*PSI12+PSI13+2.D0*PSI15)*(CHI6-PSI6-PSI3)\n PSI5 = PSI5/(A6/A5*(CHI6-PSI6-PSI3) + PSI6 + PSI7 + PSI14 +\n & 2.D0*PSI16 + 2.D0*PSI17)\n PSI5 = MIN (MAX (PSI5, TINY) , CHI5)\nC\n IF (W(3).GT.TINY .AND. WATER.GT.TINY) THEN ! First try 3rd order soln\n BB =-(CHI4 + PSI6 + PSI5 + 1.d0/A4)\n CC = CHI4*(PSI5+PSI6)\n DD = MAX(BB*BB-4.d0*CC,ZERO)\n PSI4 =0.5d0*(-BB - SQRT(DD))\n PSI4 = MIN(MAX(PSI4,ZERO),CHI4)\n ELSE\n PSI4 = TINY\n ENDIF\nC\n IF (CHI13.GT.TINY .AND. WATER.GT.TINY) THEN !KNO3\n VHTA = PSI5+PSI8+2.D0*PSI12+2.D0*PSI15+PSI14+2.D0*PSI9\n GKAMA = (PSI5+PSI8+2.D0*PSI12+2.D0*PSI15)*(2.D0*PSI9+PSI14)-A13\n DELTA = MAX(VHTA*VHTA-4.d0*GKAMA,ZERO)\n PSI13 = 0.5d0*(-VHTA + SQRT(DELTA))\n PSI13 = MIN(MAX(PSI13,ZERO),CHI13)\n ENDIF\nC\n IF (CHI14.GT.TINY .AND. WATER.GT.TINY) THEN !KCL\n PSI14 = A14/A13*(PSI5+PSI8+2.D0*PSI12+PSI13+2.D0*PSI15) -\n & PSI6-PSI7-2.D0*PSI16-2.D0*PSI17\n PSI14 = MIN (MAX (PSI14, ZERO), CHI14)\n ENDIF\nC\n IF (CHI9.GT.TINY .AND. WATER.GT.TINY) THEN !K2SO4\n BBP = PSI10+PSI13+PSI14\n CCP = (PSI13+PSI14)*(0.25D0*(PSI13+PSI14)+PSI10)\n DDP = 0.25D0*(PSI13+PSI14)**2.0*PSI10-A9/4.D0\n CALL POLY3 (BBP, CCP, DDP, PSI9, ISLV)\n IF (ISLV.EQ.0) THEN\n PSI9 = MIN (MAX(PSI9,ZERO) , CHI9)\n ELSE\n PSI9 = ZERO\n ENDIF\n ENDIF\nC\n IF (CHI7.GT.TINY .AND. WATER.GT.TINY) THEN ! NACL DISSOLUTION\n VITA = PSI6+PSI14+PSI8+2.D0*PSI16+2.D0*PSI17\n GKAMA= PSI8*(2.D0*PSI16+PSI6+PSI14+2.D0*PSI17)-A7\n DIAK = MAX(VITA*VITA - 4.0D0*GKAMA,ZERO)\n PSI7 = 0.5D0*( -VITA + SQRT(DIAK) )\n PSI7 = MAX(MIN(PSI7, CHI7), ZERO)\n ENDIF\nC\n IF (CHI8.GT.TINY .AND. WATER.GT.TINY) THEN ! NANO3 DISSOLUTION\nC VIT = PSI5+PSI13+PSI7+2.D0*PSI12+2.D0*PSI15\nC GKAM = PSI7*(2.D0*PSI12+PSI5+PSI13+2.D0*PSI15)-A8\nC DIA = MAX(VIT*VIT - 4.0D0*GKAM,ZERO)\nC PSI8 = 0.5D0*( -VIT + SQRT(DIA) )\n PSI8 = A8/A7*(PSI6+PSI7+PSI14+2.D0*PSI16+2.D0*PSI17)-\n & PSI5-2.D0*PSI12-PSI13-2.D0*PSI15\n PSI8 = MAX(MIN(PSI8, CHI8), ZERO)\n ENDIF\nC\nC\nC *** CALCULATE SPECIATION ********************************************\nC\n MOLAL (2) = PSI8 + PSI7 ! NAI\n MOLAL (3) = PSI4 ! NH4I\n MOLAL (4) = PSI6 + PSI7 + PSI14 + 2.D0*PSI16 + 2.D0*PSI17 ! CLI\n MOLAL (5) = PSI9 + PSI10 ! SO4I\n MOLAL (6) = ZERO ! HSO4I\n MOLAL (7) = PSI5 + PSI8 + 2.D0*PSI12 + PSI13 + 2.D0*PSI15 ! NO3I\n MOLAL (8) = PSI11 + PSI12 + PSI17 ! CAI\n MOLAL (9) = 2.D0*PSI9 + PSI13 + PSI14 ! KI\n MOLAL (10)= PSI10 + PSI15 + PSI16 ! MGI\nC\nC *** CALCULATE H+ *****************************************************\nC\nC REST = 2.D0*W(2) + W(4) + W(5)\nCC\nC DELT1 = 0.0d0\nC DELT2 = 0.0d0\nC IF (W(1)+W(6)+W(7)+W(8).GT.REST) THEN\nCC\nCC *** CALCULATE EQUILIBRIUM CONSTANTS **********************************\nCC\nC ALFA1 = XK26*RH*(WATER/1.0) ! CO2(aq) + H2O\nC ALFA2 = XK27*(WATER/1.0) ! HCO3-\nCC\nC X = W(1)+W(6)+W(7)+W(8) - REST ! EXCESS OF CRUSTALS EQUALS CO2(aq)\nCC\nC DIAK = SQRT( (ALFA1)**2.0 + 4.0D0*ALFA1*X)\nC DELT1 = 0.5*(-ALFA1 + DIAK)\nC DELT1 = MIN ( MAX (DELT1, ZERO), X)\nC DELT2 = ALFA2\nC DELT2 = MIN ( DELT2, DELT1)\nC MOLAL(1) = DELT1 + DELT2 ! H+\nC ELSE\nCC\nCC *** NO EXCESS OF CRUSTALS CALCULATE H+ *******************************\nCC\n SMIN = 2.d0*MOLAL(5)+MOLAL(7)+MOLAL(4)-MOLAL(2)-MOLAL(3)\n & - MOLAL(9) - 2.D0*MOLAL(10) - 2.D0*MOLAL(8)\n CALL CALCPH (SMIN, HI, OHI)\n MOLAL (1) = HI\nC ENDIF\nC\n GNH3 = MAX(CHI4 - PSI4, TINY)\n GHNO3 = MAX(CHI5 - PSI5, TINY)\n GHCL = MAX(CHI6 - PSI6, TINY)\nC\nC CNH4CL = ZERO\nC CNH4NO3 = ZERO\n CNACL = MAX (CHI7 - PSI7, ZERO)\n CNANO3 = MAX (CHI8 - PSI8, ZERO)\n CK2SO4 = MAX (CHI9 - PSI9, ZERO)\n CMGSO4 = ZERO\n CCASO4 = CHI11\n CCANO32 = ZERO\n CKNO3 = MAX (CHI13 - PSI13, ZERO)\n CKCL = MAX (CHI14 - PSI14, ZERO)\n CMGNO32 = ZERO\n CMGCL2 = ZERO\n CCACL2 = ZERO\nC\nC *** NH4Cl(s) calculations\nC\n A3 = XK6 /(R*TEMP*R*TEMP)\n IF (GNH3*GHCL.GT.A3) THEN\n DELT = MIN(GNH3, GHCL)\n BB = -(GNH3+GHCL)\n CC = GNH3*GHCL-A3\n DD = BB*BB - 4.D0*CC\n PSI31 = 0.5D0*(-BB + SQRT(DD))\n PSI32 = 0.5D0*(-BB - SQRT(DD))\n IF (DELT-PSI31.GT.ZERO .AND. PSI31.GT.ZERO) THEN\n PSI3 = PSI31\n ELSEIF (DELT-PSI32.GT.ZERO .AND. PSI32.GT.ZERO) THEN\n PSI3 = PSI32\n ELSE\n PSI3 = ZERO\n ENDIF\n ELSE\n PSI3 = ZERO\n ENDIF\n PSI3 = MAX(MIN(MIN(PSI3,CHI4-PSI4),CHI6-PSI6), ZERO)\nC\nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n GNH3 = MAX(GNH3 - PSI3, TINY)\n GHCL = MAX(GHCL - PSI3, TINY)\n CNH4CL = PSI3\nC\nC *** NH4NO3(s) calculations\nC\n A2 = XK10 /(R*TEMP*R*TEMP)\n IF (GNH3*GHNO3.GT.A2) THEN\n DELT = MIN(GNH3, GHNO3)\n BB = -(GNH3+GHNO3)\n CC = GNH3*GHNO3-A2\n DD = BB*BB - 4.D0*CC\n PSI21 = 0.5D0*(-BB + SQRT(DD))\n PSI22 = 0.5D0*(-BB - SQRT(DD))\n IF (DELT-PSI21.GT.ZERO .AND. PSI21.GT.ZERO) THEN\n PSI2 = PSI21\n ELSEIF (DELT-PSI22.GT.ZERO .AND. PSI22.GT.ZERO) THEN\n PSI2 = PSI22\n ELSE\n PSI2 = ZERO\n ENDIF\n ELSE\n PSI2 = ZERO\n ENDIF\n PSI2 = MAX(MIN(MIN(PSI2,CHI4-PSI4-PSI3),CHI5-PSI5),ZERO)\nC\nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n GNH3 = MAX(GNH3 - PSI2, TINY)\n GHCL = MAX(GHNO3 - PSI2, TINY)\n CNH4NO3 = PSI2\nC\n CALL CALCMR ! Water content\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nC\nC *** CALCULATE FUNCTION VALUE FOR OUTER LOOP ***************************\nC\nC20 FUNCP3 = MOLAL(3)*MOLAL(4)/GHCL/GNH3/A6/A4 - ONE\n20 FUNCP3 = MOLAL(1)*MOLAL(4)/GHCL/A6 - ONE\nC\n RETURN\nC\nC *** END OF FUNCTION FUNCP3 *******************************************\nC\n END\n\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCP2\nC *** CASE P2\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; Rcr+Na >= 2.0 ; Rcr > 2)\nC 2. SOLID AEROSOL ONLY\nC 3. SOLIDS POSSIBLE : CaSO4, CA(NO3)2, K2SO4, KNO3, KCL, MGSO4,\nC MG(NO3)2, MGCL2, NANO3, NACL, NH4NO3, NH4CL\nC\nC THERE ARE THREE REGIMES IN THIS CASE:\nC 1. CACL2(s) POSSIBLE. LIQUID & SOLID AEROSOL (SUBROUTINE CALCL2A)\nC 2. CACL2(s) NOT POSSIBLE, AND RH < MDRH. SOLID AEROSOL ONLY\nC 3. CACL2(s) NOT POSSIBLE, AND RH >= MDRH. SOLID & LIQUID AEROSOL\nC\nC REGIMES 2. AND 3. ARE CONSIDERED TO BE THE SAME AS CASES P1A, P2B\nC RESPECTIVELY\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\nC\n SUBROUTINE CALCP2\n INCLUDE 'isrpia.inc'\n EXTERNAL CALCP1A, CALCP3A, CALCP4A, CALCP5A, CALCP6\nC\nC *** FIND DRY COMPOSITION **********************************************\nC\n CALL CALCP1A\nC\nC *** REGIME DEPENDS UPON THE POSSIBLE SOLIDS & RH **********************\nC\n IF (CCACL2.GT.TINY) THEN\n SCASE = 'P2 ; SUBCASE 1'\n CALL CALCP2A\n SCASE = 'P2 ; SUBCASE 1'\n ENDIF\nC\n IF (WATER.LE.TINY) THEN\n IF (RH.LT.DRMP2) THEN ! ONLY SOLIDS\n WATER = TINY\n DO 10 I=1,NIONS\n MOLAL(I) = ZERO\n10 CONTINUE\n CALL CALCP1A\n SCASE = 'P2 ; SUBCASE 2'\n ELSE\n IF (CMGCL2.GT. TINY) THEN\n SCASE = 'P2 ; SUBCASE 3' ! MDRH (CaSO4, CA(NO3)2, K2SO4, KNO3, KCL, MGSO4, MGCL2,\nC MG(NO3)2, NANO3, NACL, NH4NO3, NH4CL)\n CALL CALCMDRH2 (RH, DRMP2, DRMGCL2, CALCP1A, CALCP3A)\n SCASE = 'P2 ; SUBCASE 3'\n ENDIF\n IF (WATER.LE.TINY .AND. RH.GE.DRMP3 .AND. RH.LT.DRMP4) THEN\n SCASE = 'P2 ; SUBCASE 4' ! MDRH (CaSO4, K2SO4, KNO3, KCL, MGSO4, CANO32,\nC MG(NO3)2, NANO3, NACL, NH4NO3, NH4CL)\n CALL CALCMDRH2 (RH, DRMP3, DRCANO32, CALCP1A, CALCP4A)\n SCASE = 'P2 ; SUBCASE 4'\n ENDIF\n IF (WATER.LE.TINY .AND. RH.GE.DRMP4 .AND. RH.LT.DRMP5) THEN\n SCASE = 'P2 ; SUBCASE 5' ! MDRH (CaSO4, K2SO4, KNO3, KCL, MGSO4,\nC MGNO32, NANO3, NACL, NH4NO3, NH4CL)\n CALL CALCMDRH2 (RH, DRMP4, DRMGNO32, CALCP1A, CALCP5A)\n SCASE = 'P2 ; SUBCASE 5'\n ENDIF\n IF (WATER.LE.TINY .AND. RH.GE.DRMP5) THEN\n SCASE = 'P2 ; SUBCASE 6' ! MDRH (CaSO4, K2SO4, KNO3, KCL, MGSO4,\nC NANO3, NACL, NH4NO3, NH4CL)\n CALL CALCMDRH2 (RH, DRMP5, DRNH4NO3, CALCP1A, CALCP6)\n SCASE = 'P2 ; SUBCASE 6'\n ELSE\n WATER = TINY\n DO 20 I=1,NIONS\n MOLAL(I) = ZERO\n20 CONTINUE\n CALL CALCP1A\n SCASE = 'P2 ; SUBCASE 2'\n ENDIF\n ENDIF\n ENDIF\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCP2 ******************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCP2A\nC *** CASE P2A\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; Rcr+Na >= 2.0 ; Rcr > 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : CaSO4, K2SO4, KNO3, MGSO4, KCL, NH4CL, NACL,\nC NANO3, NH4NO3, MG(NO3)2, CA(NO3)2\nC 4. Completely dissolved: CACL2\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCP2A\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n CALAOU = .TRUE.\n CHI11 = MIN (W(2), W(6)) ! CCASO4\n FRCA = MAX (W(6) - CHI11, ZERO)\n FRSO4 = MAX (W(2) - CHI11, ZERO)\n CHI9 = MIN (FRSO4, 0.5D0*W(7)) ! CK2SO4\n FRK = MAX (W(7) - 2.D0*CHI9, ZERO)\n FRSO4 = MAX (FRSO4 - CHI9, ZERO)\n CHI10 = FRSO4 ! CMGSO4\n FRMG = MAX (W(8) - CHI10, ZERO)\n CHI7 = MIN (W(1), W(5)) ! CNACL\n FRNA = MAX (W(1) - CHI7, ZERO)\n FRCL = MAX (W(5) - CHI7, ZERO)\n CHI12 = MIN (FRCA, 0.5D0*W(4)) ! CCANO32\n FRCA = MAX (FRCA - CHI12, ZERO)\n FRNO3 = MAX (W(4) - 2.D0*CHI12, ZERO)\n CHI17 = MIN (FRCA, 0.5D0*FRCL) ! CCACL2\n FRCA = MAX (FRCA - CHI17, ZERO)\n FRCL = MAX (FRCL - 2.D0*CHI17, ZERO)\n CHI15 = MIN (FRMG, 0.5D0*FRNO3) ! CMGNO32\n FRMG = MAX (FRMG - CHI15, ZERO)\n FRNO3 = MAX (FRNO3 - 2.D0*CHI15, ZERO)\n CHI16 = MIN (FRMG, 0.5D0*FRCL) ! CMGCL2\n FRMG = MAX (FRMG - CHI16, ZERO)\n FRCL = MAX (FRCL - 2.D0*CHI16, ZERO)\n CHI8 = MIN (FRNA, FRNO3) ! CNANO3\n FRNA = MAX (FRNA - CHI8, ZERO)\n FRNO3 = MAX (FRNO3 - CHI8, ZERO)\n CHI14 = MIN (FRK, FRCL) ! CKCL\n FRK = MAX (FRK - CHI14, ZERO)\n FRCL = MAX (FRCL - CHI14, ZERO)\n CHI13 = MIN (FRK, FRNO3) ! CKNO3\n FRK = MAX (FRK - CHI13, ZERO)\n FRNO3 = MAX (FRNO3 - CHI13, ZERO)\nC\n CHI5 = FRNO3 ! HNO3(g)\n CHI6 = FRCL ! HCL(g)\n CHI4 = W(3) ! NH3(g)\nC\n CHI3 = ZERO ! CNH4CL\n CHI1 = ZERO\n CHI2 = ZERO\nC\n PSI6LO = TINY\n PSI6HI = CHI6-TINY ! MIN(CHI6-TINY, CHI4)\nC\nC *** INITIAL VALUES FOR BISECTION ************************************\nC\n X1 = PSI6LO\n Y1 = FUNCP2A (X1)\n IF (ABS(Y1).LE.EPS .OR. CHI6.LE.TINY) GOTO 50\nC\nC *** ROOT TRACKING ; FOR THE RANGE OF HI AND LO **********************\nC\n DX = (PSI6HI-PSI6LO)/FLOAT(NDIV)\n DO 10 I=1,NDIV\n X2 = X1+DX\n Y2 = FUNCP2A (X2)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y2).LT.ZERO) GOTO 20 ! (Y1*Y2.LT.ZERO)\n X1 = X2\n Y1 = Y2\n10 CONTINUE\nC\nC *** NO SUBDIVISION WITH SOLUTION; IF ABS(Y2) 2.0) ; Rcr+Na >= 2.0 ; Rcr > 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : CaSO4, K2SO4, KNO3, MGSO4, KCL, NH4CL, NACL,\nC NANO3, NH4NO3, MG(NO3)2, CA(NO3)2, MGCL2\nC 4. Completely dissolved: CACL2\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n DOUBLE PRECISION FUNCTION FUNCP2A (X)\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n PSI6 = X\n PSI1 = ZERO\n PSI2 = ZERO\n PSI3 = ZERO\n PSI7 = ZERO\n PSI8 = ZERO\n PSI9 = ZERO\n PSI10 = CHI10\n PSI11 = ZERO\n PSI12 = CHI12\n PSI13 = ZERO\n PSI14 = ZERO\n PSI15 = CHI15\n PSI16 = CHI16\n PSI17 = CHI17\n FRST = .TRUE.\n CALAIN = .TRUE.\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A4 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2.0\n A5 = XK4 *R*TEMP*(WATER/GAMA(10))**2.0\n A6 = XK3 *R*TEMP*(WATER/GAMA(11))**2.0\n A9 = XK17 *(WATER/GAMA(17))**3.0\n A13 = XK19 *(WATER/GAMA(19))**2.0\n A14 = XK20 *(WATER/GAMA(20))**2.0\n A7 = XK8 *(WATER/GAMA(1))**2.0\n A8 = XK9 *(WATER/GAMA(3))**2.0\nC\nC CALCULATE DISSOCIATION QUANTITIES\nC\n PSI5 = (CHI5-PSI2)*(PSI6 + PSI7 + PSI14 + 2.D0*PSI16 + 2.D0*PSI17)\n & - A6/A5*(PSI8+2.D0*PSI12+PSI13+2.D0*PSI15)*(CHI6-PSI6-PSI3)\n PSI5 = PSI5/(A6/A5*(CHI6-PSI6-PSI3) + PSI6 + PSI7 + PSI14 +\n & 2.D0*PSI16 + 2.D0*PSI17)\n PSI5 = MIN (MAX (PSI5, TINY) , CHI5)\nC\n IF (W(3).GT.TINY .AND. WATER.GT.TINY) THEN ! First try 3rd order soln\n BB =-(CHI4 + PSI6 + PSI5 + 1.d0/A4)\n CC = CHI4*(PSI5+PSI6)\n DD = MAX(BB*BB-4.d0*CC,ZERO)\n PSI4 =0.5d0*(-BB - SQRT(DD))\n PSI4 = MIN(MAX(PSI4,ZERO),CHI4)\n ELSE\n PSI4 = TINY\n ENDIF\nC\n IF (CHI13.GT.TINY .AND. WATER.GT.TINY) THEN !KNO3\n VHTA = PSI5+PSI8+2.D0*PSI12+2.D0*PSI15+PSI14+2.D0*PSI9\n GKAMA = (PSI5+PSI8+2.D0*PSI12+2.D0*PSI15)*(2.D0*PSI9+PSI14)-A13\n DELTA = MAX(VHTA*VHTA-4.d0*GKAMA,ZERO)\n PSI13 = 0.5d0*(-VHTA + SQRT(DELTA))\n PSI13 = MIN(MAX(PSI13,ZERO),CHI13)\n ENDIF\nC\n IF (CHI14.GT.TINY .AND. WATER.GT.TINY) THEN !KCL\n PSI14 = A14/A13*(PSI5+PSI8+2.D0*PSI12+PSI13+2.D0*PSI15) -\n & PSI6-PSI7-2.D0*PSI16-2.D0*PSI17\n PSI14 = MIN (MAX (PSI14, ZERO), CHI14)\n ENDIF\nC\n IF (CHI9.GT.TINY .AND. WATER.GT.TINY) THEN !K2SO4\n BBP = PSI10+PSI13+PSI14\n CCP = (PSI13+PSI14)*(0.25D0*(PSI13+PSI14)+PSI10)\n DDP = 0.25D0*(PSI13+PSI14)**2.0*PSI10-A9/4.D0\n CALL POLY3 (BBP, CCP, DDP, PSI9, ISLV)\n IF (ISLV.EQ.0) THEN\n PSI9 = MIN (MAX(PSI9,ZERO) , CHI9)\n ELSE\n PSI9 = ZERO\n ENDIF\n ENDIF\nC\n IF (CHI7.GT.TINY .AND. WATER.GT.TINY) THEN ! NACL DISSOLUTION\n VITA = PSI6+PSI14+PSI8+2.D0*PSI16+2.D0*PSI17\n GKAMA= PSI8*(2.D0*PSI16+PSI6+PSI14+2.D0*PSI17)-A7\n DIAK = MAX(VITA*VITA - 4.0D0*GKAMA,ZERO)\n PSI7 = 0.5D0*( -VITA + SQRT(DIAK) )\n PSI7 = MAX(MIN(PSI7, CHI7), ZERO)\n ENDIF\nC\n IF (CHI8.GT.TINY .AND. WATER.GT.TINY) THEN ! NANO3 DISSOLUTION\nC VIT = PSI5+PSI13+PSI7+2.D0*PSI12+2.D0*PSI15\nC GKAM = PSI7*(2.D0*PSI12+PSI5+PSI13+2.D0*PSI15)-A8\nC DIA = MAX(VIT*VIT - 4.0D0*GKAM,ZERO)\nC PSI8 = 0.5D0*( -VIT + SQRT(DIA) )\n PSI8 = A8/A7*(PSI6+PSI7+PSI14+2.D0*PSI16+2.D0*PSI17)-\n & PSI5-2.D0*PSI12-PSI13-2.D0*PSI15\n PSI8 = MAX(MIN(PSI8, CHI8), ZERO)\n ENDIF\nC\nC\nC *** CALCULATE SPECIATION ********************************************\nC\n MOLAL (2) = PSI8 + PSI7 ! NAI\n MOLAL (3) = PSI4 ! NH4I\n MOLAL (4) = PSI6 + PSI7 + PSI14 + 2.D0*PSI16 + 2.D0*PSI17 ! CLI\n MOLAL (5) = PSI9 + PSI10 ! SO4I\n MOLAL (6) = ZERO ! HSO4I\n MOLAL (7) = PSI5 + PSI8 + 2.D0*PSI12 + PSI13 + 2.D0*PSI15 ! NO3I\n MOLAL (8) = PSI11 + PSI12 + PSI17 ! CAI\n MOLAL (9) = 2.D0*PSI9 + PSI13 + PSI14 ! KI\n MOLAL (10)= PSI10 + PSI15 + PSI16 ! MGI\nC\nC *** CALCULATE H+ *****************************************************\nC\nC REST = 2.D0*W(2) + W(4) + W(5)\nCC\nC DELT1 = 0.0d0\nC DELT2 = 0.0d0\nC IF (W(1)+W(6)+W(7)+W(8).GT.REST) THEN\nCC\nCC *** CALCULATE EQUILIBRIUM CONSTANTS **********************************\nCC\nC ALFA1 = XK26*RH*(WATER/1.0) ! CO2(aq) + H2O\nC ALFA2 = XK27*(WATER/1.0) ! HCO3-\nCC\nC X = W(1)+W(6)+W(7)+W(8) - REST ! EXCESS OF CRUSTALS EQUALS CO2(aq)\nCC\nC DIAK = SQRT( (ALFA1)**2.0 + 4.0D0*ALFA1*X)\nC DELT1 = 0.5*(-ALFA1 + DIAK)\nC DELT1 = MIN ( MAX (DELT1, ZERO), X)\nC DELT2 = ALFA2\nC DELT2 = MIN ( DELT2, DELT1)\nC MOLAL(1) = DELT1 + DELT2 ! H+\nC ELSE\nCC\nCC *** NO EXCESS OF CRUSTALS CALCULATE H+ *******************************\nCC\n SMIN = 2.d0*MOLAL(5)+MOLAL(7)+MOLAL(4)-MOLAL(2)-MOLAL(3)\n & - MOLAL(9) - 2.D0*MOLAL(10) - 2.D0*MOLAL(8)\n CALL CALCPH (SMIN, HI, OHI)\n MOLAL (1) = HI\nC ENDIF\nC\n GNH3 = MAX(CHI4 - PSI4, TINY)\n GHNO3 = MAX(CHI5 - PSI5, TINY)\n GHCL = MAX(CHI6 - PSI6, TINY)\nC\nC CNH4CL = ZERO\nC CNH4NO3 = ZERO\n CNACL = MAX (CHI7 - PSI7, ZERO)\n CNANO3 = MAX (CHI8 - PSI8, ZERO)\n CK2SO4 = MAX (CHI9 - PSI9, ZERO)\n CMGSO4 = ZERO\n CCASO4 = CHI11\n CCANO32 = ZERO\n CKNO3 = MAX (CHI13 - PSI13, ZERO)\n CKCL = MAX (CHI14 - PSI14, ZERO)\n CMGNO32 = ZERO\n CMGCL2 = ZERO\n CCACL2 = ZERO\nC\nC *** NH4Cl(s) calculations\nC\n A3 = XK6 /(R*TEMP*R*TEMP)\n IF (GNH3*GHCL.GT.A3) THEN\n DELT = MIN(GNH3, GHCL)\n BB = -(GNH3+GHCL)\n CC = GNH3*GHCL-A3\n DD = BB*BB - 4.D0*CC\n PSI31 = 0.5D0*(-BB + SQRT(DD))\n PSI32 = 0.5D0*(-BB - SQRT(DD))\n IF (DELT-PSI31.GT.ZERO .AND. PSI31.GT.ZERO) THEN\n PSI3 = PSI31\n ELSEIF (DELT-PSI32.GT.ZERO .AND. PSI32.GT.ZERO) THEN\n PSI3 = PSI32\n ELSE\n PSI3 = ZERO\n ENDIF\n ELSE\n PSI3 = ZERO\n ENDIF\n PSI3 = MAX(MIN(MIN(PSI3,CHI4-PSI4),CHI6-PSI6),ZERO)\nC\nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n GNH3 = MAX(GNH3 - PSI3, TINY)\n GHCL = MAX(GHCL - PSI3, TINY)\n CNH4CL = PSI3\nC\nC *** NH4NO3(s) calculations\nC\n A2 = XK10 /(R*TEMP*R*TEMP)\n IF (GNH3*GHNO3.GT.A2) THEN\n DELT = MIN(GNH3, GHNO3)\n BB = -(GNH3+GHNO3)\n CC = GNH3*GHNO3-A2\n DD = BB*BB - 4.D0*CC\n PSI21 = 0.5D0*(-BB + SQRT(DD))\n PSI22 = 0.5D0*(-BB - SQRT(DD))\n IF (DELT-PSI21.GT.ZERO .AND. PSI21.GT.ZERO) THEN\n PSI2 = PSI21\n ELSEIF (DELT-PSI22.GT.ZERO .AND. PSI22.GT.ZERO) THEN\n PSI2 = PSI22\n ELSE\n PSI2 = ZERO\n ENDIF\n ELSE\n PSI2 = ZERO\n ENDIF\n PSI2 = MAX(MIN(MIN(PSI2,CHI4-PSI4-PSI3),CHI5-PSI5),ZERO)\nC\nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n GNH3 = MAX (GNH3 - PSI2, TINY)\n GHCL = MAX (GHNO3 - PSI2, TINY)\n CNH4NO3 = PSI2\nC\n CALL CALCMR ! Water content\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nC\nC *** CALCULATE FUNCTION VALUE FOR OUTER LOOP ***************************\nC\nC20 FUNCP2A = MOLAL(3)*MOLAL(4)/GHCL/GNH3/A6/A4 - ONE\n20 FUNCP2A = MOLAL(1)*MOLAL(4)/GHCL/A6 - ONE\nC\n RETURN\nC\nC *** END OF FUNCTION FUNCP2A *******************************************\nC\n END\n\n\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCP1\nC *** CASE P1\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; Rcr+Na >= 2.0 ; Rcr > 2)\nC 2. SOLID AEROSOL ONLY\nC 3. SOLIDS POSSIBLE : CaSO4, CA(NO3)2, CACL2, K2SO4, KNO3, KCL, MGSO4,\nC MG(NO3)2, MGCL2, NANO3, NACL, NH4NO3, NH4CL\nC\nC THERE ARE TWO POSSIBLE REGIMES HERE, DEPENDING ON RELATIVE HUMIDITY:\nC 1. WHEN RH >= MDRH ; LIQUID PHASE POSSIBLE (MDRH REGION)\nC 2. WHEN RH < MDRH ; ONLY SOLID PHASE POSSIBLE (SUBROUTINE CALCP1A)\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCP1\n INCLUDE 'isrpia.inc'\n EXTERNAL CALCP1A, CALCP2A\nC\nC *** REGIME DEPENDS UPON THE AMBIENT RELATIVE HUMIDITY *****************\nC\n IF (RH.LT.DRMP1) THEN\n SCASE = 'P1 ; SUBCASE 1'\n CALL CALCP1A ! SOLID PHASE ONLY POSSIBLE\n SCASE = 'P1 ; SUBCASE 1'\n ELSE\n SCASE = 'P1 ; SUBCASE 2' ! LIQUID & SOLID PHASE POSSIBLE\n CALL CALCMDRH2 (RH, DRMP1, DRCACL2, CALCP1A, CALCP2A)\n SCASE = 'P1 ; SUBCASE 2'\n ENDIF\nC\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCP1 ******************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCP1A\nC *** CASE P1A\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; Rcr+Na >= 2.0 ; Rcr > 2)\nC 2. SOLID AEROSOL ONLY\nC 3. SOLIDS POSSIBLE : CaSO4, CA(NO3)2, CACL2, K2SO4, KNO3, KCL, MGSO4,\nC MG(NO3)2, MGCL2, NANO3, NACL, NH4NO3, NH4CL\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\n\n SUBROUTINE CALCP1A\n INCLUDE 'isrpia.inc'\n DOUBLE PRECISION LAMDA, LAMDA1, LAMDA2, KAPA, KAPA1, KAPA2, NAFR,\n & NO3FR\nC\nC *** CALCULATE NON VOLATILE SOLIDS ***********************************\nC\n CCASO4 = MIN (W(2), W(6)) !SOLID CASO4\n CAFR = MAX (W(6) - CCASO4, ZERO)\n SO4FR = MAX (W(2) - CCASO4, ZERO)\n CK2SO4 = MIN (SO4FR, 0.5D0*W(7)) !SOLID K2SO4\n FRK = MAX (W(7) - 2.D0*CK2SO4, ZERO)\n SO4FR = MAX (SO4FR - CK2SO4, ZERO)\n CMGSO4 = SO4FR !SOLID MGSO4\n FRMG = MAX (W(8) - CMGSO4, ZERO)\n CNACL = MIN (W(1), W(5)) !SOLID NACL\n NAFR = MAX (W(1) - CNACL, ZERO)\n CLFR = MAX (W(5) - CNACL, ZERO)\n CCANO32 = MIN (CAFR, 0.5D0*W(4)) !SOLID CA(NO3)2\n CAFR = MAX (CAFR - CCANO32, ZERO)\n NO3FR = MAX (W(4) - 2.D0*CCANO32, ZERO)\n CCACL2 = MIN (CAFR, 0.5D0*CLFR) !SOLID CACL2\n CAFR = MAX (CAFR - CCACL2, ZERO)\n CLFR = MAX (CLFR - 2.D0*CCACL2, ZERO)\n CMGNO32 = MIN (FRMG, 0.5D0*NO3FR) !SOLID MG(NO3)2\n FRMG = MAX (FRMG - CMGNO32, ZERO)\n NO3FR = MAX (NO3FR - 2.D0*CMGNO32, ZERO)\n CMGCL2 = MIN (FRMG, 0.5D0*CLFR) !SOLID MGCL2\n FRMG = MAX (FRMG - CMGCL2, ZERO)\n CLFR = MAX (CLFR - 2.D0*CMGCL2, ZERO)\n CNANO3 = MIN (NAFR, NO3FR) !SOLID NANO3\n NAFR = MAX (NAFR - CNANO3, ZERO)\n NO3FR = MAX (NO3FR - CNANO3, ZERO)\n CKCL = MIN (FRK, CLFR) !SOLID KCL\n FRK = MAX (FRK - CKCL, ZERO)\n CLFR = MAX (CLFR - CKCL, ZERO)\n CKNO3 = MIN (FRK, NO3FR) !SOLID KNO3\n FRK = MAX (FRK - CKNO3, ZERO)\n NO3FR = MAX (NO3FR - CKNO3, ZERO)\nC\nC *** CALCULATE VOLATILE SPECIES **************************************\nC\n ALF = W(3) ! FREE NH3\n BET = CLFR ! FREE CL\n GAM = NO3FR ! FREE NO3\nC\n RTSQ = R*TEMP*R*TEMP\n A1 = XK6/RTSQ\n A2 = XK10/RTSQ\nC\n THETA1 = GAM - BET*(A2/A1)\n THETA2 = A2/A1\nC\nC QUADRATIC EQUATION SOLUTION\nC\n BB = (THETA1-ALF-BET*(ONE+THETA2))/(ONE+THETA2)\n CC = (ALF*BET-A1-BET*THETA1)/(ONE+THETA2)\n DD = BB*BB - 4.0D0*CC\n IF (DD.LT.ZERO) GOTO 100 ! Solve each reaction seperately\nC\nC TWO ROOTS FOR KAPA, CHECK AND SEE IF ANY VALID\nC\n SQDD = SQRT(DD)\n KAPA1 = 0.5D0*(-BB+SQDD)\n KAPA2 = 0.5D0*(-BB-SQDD)\n LAMDA1 = THETA1 + THETA2*KAPA1\n LAMDA2 = THETA1 + THETA2*KAPA2\nC\n IF (KAPA1.GE.ZERO .AND. LAMDA1.GE.ZERO) THEN\n IF (ALF-KAPA1-LAMDA1.GE.ZERO .AND.\n & BET-KAPA1.GE.ZERO .AND. GAM-LAMDA1.GE.ZERO) THEN\n KAPA = KAPA1\n LAMDA= LAMDA1\n GOTO 200\n ENDIF\n ENDIF\nC\n IF (KAPA2.GE.ZERO .AND. LAMDA2.GE.ZERO) THEN\n IF (ALF-KAPA2-LAMDA2.GE.ZERO .AND.\n & BET-KAPA2.GE.ZERO .AND. GAM-LAMDA2.GE.ZERO) THEN\n KAPA = KAPA2\n LAMDA= LAMDA2\n GOTO 200\n ENDIF\n ENDIF\nC\nC SEPERATE SOLUTION OF NH4CL & NH4NO3 EQUILIBRIA\nC\n100 KAPA = ZERO\n LAMDA = ZERO\n DD1 = (ALF+BET)*(ALF+BET) - 4.0D0*(ALF*BET-A1)\n DD2 = (ALF+GAM)*(ALF+GAM) - 4.0D0*(ALF*GAM-A2)\nC\nC NH4CL EQUILIBRIUM\nC\n IF (DD1.GE.ZERO) THEN\n SQDD1 = SQRT(DD1)\n KAPA1 = 0.5D0*(ALF+BET + SQDD1)\n KAPA2 = 0.5D0*(ALF+BET - SQDD1)\nC\n IF (KAPA1.GE.ZERO .AND. KAPA1.LE.MIN(ALF,BET)) THEN\n KAPA = KAPA1\n ELSE IF (KAPA2.GE.ZERO .AND. KAPA2.LE.MIN(ALF,BET)) THEN\n KAPA = KAPA2\n ELSE\n KAPA = ZERO\n ENDIF\n ENDIF\nC\nC NH4NO3 EQUILIBRIUM\nC\n IF (DD2.GE.ZERO) THEN\n SQDD2 = SQRT(DD2)\n LAMDA1= 0.5D0*(ALF+GAM + SQDD2)\n LAMDA2= 0.5D0*(ALF+GAM - SQDD2)\nC\n IF (LAMDA1.GE.ZERO .AND. LAMDA1.LE.MIN(ALF,GAM)) THEN\n LAMDA = LAMDA1\n ELSE IF (LAMDA2.GE.ZERO .AND. LAMDA2.LE.MIN(ALF,GAM)) THEN\n LAMDA = LAMDA2\n ELSE\n LAMDA = ZERO\n ENDIF\n ENDIF\nC\nC IF BOTH KAPA, LAMDA ARE > 0, THEN APPLY EXISTANCE CRITERION\nC\n IF (KAPA.GT.ZERO .AND. LAMDA.GT.ZERO) THEN\n IF (BET .LT. LAMDA/THETA1) THEN\n KAPA = ZERO\n ELSE\n LAMDA= ZERO\n ENDIF\n ENDIF\nC\nC *** CALCULATE COMPOSITION OF VOLATILE SPECIES ***********************\nC\n200 CONTINUE\n CNH4NO3 = LAMDA\n CNH4CL = KAPA\nC\n GNH3 = ALF - KAPA - LAMDA\n GHNO3 = GAM - LAMDA\n GHCL = BET - KAPA\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCP1A *****************************************\nC\n END\nC\nC======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCL9\nC *** CASE L9\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE RICH, NO FREE ACID (1.0 <= SULRAT < 2.0)\nC 2. SOLID & LIQUID AEROSOL POSSIBLE\nC 3. SOLIDS POSSIBLE : CASO4\nC 4. COMPLETELY DISSOLVED: NH4HSO4, NAHSO4, LC, (NH4)2SO4, KHSO4, MGSO4, NA2SO4, K2SO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCL9\n INCLUDE 'isrpia.inc'\n DOUBLE PRECISION LAMDA\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** FIND DRY COMPOSITION **********************************************\nC\n CALL CALCL1A\nC\nC *** SETUP PARAMETERS ************************************************\nC\n CHI1 = CNH4HS4 ! Save from CALCL1 run\n CHI2 = CLC\n CHI3 = CNAHSO4\n CHI4 = CNA2SO4\n CHI5 = CNH42S4\n CHI6 = CK2SO4\n CHI7 = CMGSO4\n CHI8 = CKHSO4\nC\n PSI1 = CNH4HS4 ! ASSIGN INITIAL PSI's\n PSI2 = CLC\n PSI3 = CNAHSO4\n PSI4 = CNA2SO4\n PSI5 = CNH42S4\n PSI6 = CK2SO4\n PSI7 = CMGSO4\n PSI8 = CKHSO4\nC\n CALAOU = .TRUE. ! Outer loop activity calculation flag\n FRST = .TRUE.\n CALAIN = .TRUE.\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A9 = XK1 *WATER/GAMA(7)*(GAMA(8)/GAMA(7))**2.\nC\nC CALCULATE DISSOCIATION QUANTITIES\nC\n BB = PSI7 + PSI6 + PSI5 + PSI4 + PSI2 + A9 ! LAMDA\n CC = -A9*(PSI8 + PSI1 + PSI2 + PSI3)\n DD = MAX(BB*BB - 4.D0*CC, ZERO)\n LAMDA= 0.5D0*(-BB + SQRT(DD))\n LAMDA= MIN(MAX (LAMDA, TINY), PSI8+PSI3+PSI2+PSI1)\nC\nC *** CALCULATE SPECIATION ********************************************\nC\n MOLAL(1) = LAMDA ! HI\n MOLAL(2) = 2.D0*PSI4 + PSI3 ! NAI\n MOLAL(3) = 3.D0*PSI2 + 2.D0*PSI5 + PSI1 ! NH4I\n MOLAL(5) = PSI2 + PSI4 + PSI5 + PSI6 + PSI7 + LAMDA ! SO4I\n MOLAL(6) = PSI2 + PSI3 + PSI1 + PSI8 - LAMDA ! HSO4I\n MOLAL(9) = PSI8 + 2.0D0*PSI6 ! KI\n MOLAL(10)= PSI7 ! MGI\nC\n CLC = ZERO\n CNAHSO4 = ZERO\n CNA2SO4 = ZERO\n CNH42S4 = ZERO\n CNH4HS4 = ZERO\n CK2SO4 = ZERO\n CMGSO4 = ZERO\n CKHSO4 = ZERO\nC\n CALL CALCMR ! Water content\n\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nC\n20 RETURN\nC\nC *** END OF SUBROUTINE CALCL9 *****************************************\nC\n END\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCL8\nC *** CASE L8\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE RICH, NO FREE ACID (1.0 <= SULRAT < 2.0)\nC 2. SOLID & LIQUID AEROSOL POSSIBLE\nC 3. SOLIDS POSSIBLE : K2SO4, CASO4\nC 4. COMPLETELY DISSOLVED: NH4HSO4, NAHSO4, LC, (NH4)2SO4, KHSO4, MGSO4, NA2SO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCL8\n INCLUDE 'isrpia.inc'\n DOUBLE PRECISION LAMDA\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** FIND DRY COMPOSITION **********************************************\nC\n CALL CALCL1A\nC\nC *** SETUP PARAMETERS ************************************************\nC\n CHI1 = CNH4HS4 ! Save from CALCL1 run\n CHI2 = CLC\n CHI3 = CNAHSO4\n CHI4 = CNA2SO4\n CHI5 = CNH42S4\n CHI6 = CK2SO4\n CHI7 = CMGSO4\n CHI8 = CKHSO4\nC\n PSI1 = CNH4HS4 ! ASSIGN INITIAL PSI's\n PSI2 = CLC\n PSI3 = CNAHSO4\n PSI4 = CNA2SO4\n PSI5 = CNH42S4\n PSI6 = ZERO\n PSI7 = CMGSO4\n PSI8 = CKHSO4\nC\n CALAOU = .TRUE. ! Outer loop activity calculation flag\n PSI6LO = ZERO ! Low limit\n PSI6HI = CHI6 ! High limit\nC\nC *** INITIAL VALUES FOR BISECTION ************************************\nC\n IF (CHI6.LE.TINY) THEN\n Y1 = FUNCL8 (ZERO)\n GOTO 50\n ENDIF\nC\n X1 = PSI6HI\n Y1 = FUNCL8 (X1)\n YHI= Y1 ! Save Y-value at HI position\nC\nC *** YHI < 0.0 THE SOLUTION IS ALWAYS UNDERSATURATED WITH K2SO4 *********\nC\n IF (ABS(Y1).LE.EPS .OR. YHI.LT.ZERO) GOTO 50\nC\nC *** ROOT TRACKING ; FOR THE RANGE OF HI AND LO **********************\nC\n DX = (PSI6HI-PSI6LO)/FLOAT(NDIV)\n DO 10 I=1,NDIV\n X2 = X1-DX\n Y2 = FUNCL8 (X2)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y2).LT.ZERO) GOTO 20 ! (Y1*Y2.LT.ZERO)\n X1 = X2\n Y1 = Y2\n10 CONTINUE\nC\nC *** { YLO, YHI } > 0.0 THE SOLUTION IS ALWAYS SUPERSATURATED WITH K2SO4\nC\n YLO= Y1 ! Save Y-value at Hi position\n IF (YLO.GT.ZERO .AND. YHI.GT.ZERO) THEN\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y3 = FUNCL8 (ZERO)\n GOTO 50\n ELSE IF (ABS(Y2) .LT. EPS) THEN ! X2 IS A SOLUTION\n GOTO 50\n ELSE\n CALL PUSHERR (0001, 'CALCL8') ! WARNING ERROR: NO SOLUTION\n GOTO 50\n ENDIF\nC *** PERFORM BISECTION ***********************************************\nC\n20 DO 30 I=1,MAXIT\n X3 = 0.5*(X1+X2)\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y3 = FUNCL8 (X3)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y3) .LE. ZERO) THEN ! (Y1*Y3 .LE. ZERO)\n Y2 = Y3\n X2 = X3\n ELSE\n Y1 = Y3\n X1 = X3\n ENDIF\n IF (ABS(X2-X1) .LE. EPS*X1) GOTO 40\n30 CONTINUE\n CALL PUSHERR (0002, 'CALCL8') ! WARNING ERROR: NO CONVERGENCE\nC\nC *** CONVERGED ; RETURN **********************************************\nC\n40 X3 = 0.5*(X1+X2)\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y3 = FUNCL8 (X3)\nC\n50 RETURN\nC\nC *** END OF SUBROUTINE CALCL8 *****************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** FUNCTION FUNCL8\nC *** CASE L8\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE RICH, NO FREE ACID (1.0 <= SULRAT < 2.0)\nC 2. SOLID & LIQUID AEROSOL POSSIBLE\nC 3. SOLIDS POSSIBLE : K2SO4, CASO4\nC 4. COMPLETELY DISSOLVED: NH4HSO4, NAHSO4, LC, (NH4)2SO4, KHSO4, MGSO4, NA2SO4\nC\nC SOLUTION IS SAVED IN COMMON BLOCK /CASE/\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n DOUBLE PRECISION FUNCTION FUNCL8 (P6)\n INCLUDE 'isrpia.inc'\n DOUBLE PRECISION LAMDA\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n PSI6 = P6\nC\nC *** SETUP PARAMETERS ************************************************\nC\n FRST = .TRUE.\n CALAIN = .TRUE.\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A9 = XK1*(WATER)*(GAMA(8)**2.0)/(GAMA(7)**3.0)\nC\nC CALCULATE DISSOCIATION QUANTITIES\nC\n BB = PSI7 + PSI6 + PSI5 + PSI4 + PSI2 + A9 ! LAMDA\n CC = -A9*(PSI8 + PSI1 + PSI2 + PSI3)\n DD = BB*BB - 4.D0*CC\n LAMDA= 0.5D0*(-BB + SQRT(DD))\n LAMDA= MIN(MAX (LAMDA, TINY), PSI8+PSI3+PSI2+PSI1)\nC\nC *** CALCULATE SPECIATION ********************************************\nC\n MOLAL(1) = LAMDA ! HI\n MOLAL(2) = 2.D0*PSI4 + PSI3 ! NAI\n MOLAL(3) = 3.D0*PSI2 + 2.D0*PSI5 + PSI1 ! NH4I\n MOLAL(5) = PSI2 + PSI4 + PSI5 + PSI6 + PSI7 + LAMDA ! SO4I\n MOLAL(6) = MAX(PSI2 + PSI3 + PSI1 + PSI8 - LAMDA, TINY) ! HSO4I\n MOLAL(9) = PSI8 + 2.0*PSI6 ! KI\n MOLAL(10)= PSI7 ! MGI\nC\n CLC = ZERO\n CNAHSO4 = ZERO\n CNA2SO4 = ZERO\n CNH42S4 = ZERO\n CNH4HS4 = ZERO\n CK2SO4 = MAX(CHI6 - PSI6, ZERO)\n CMGSO4 = ZERO\n CKHSO4 = ZERO\n CALL CALCMR ! Water content\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nC\nC *** CALCULATE OBJECTIVE FUNCTION ************************************\nC\n20 A6 = XK17*(WATER/GAMA(17))**3.0\n FUNCL8 = MOLAL(9)*MOLAL(9)*MOLAL(5)/A6 - ONE\n RETURN\nC\nC *** END OF FUNCTION FUNCL8 ****************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCL7\nC *** CASE L7\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE RICH, NO FREE ACID (1.0 <= SO4RAT < 2.0)\nC 2. SOLID & LIQUID AEROSOL POSSIBLE\nC 3. SOLIDS POSSIBLE : K2SO4, CASO4, NA2SO4\nC 4. COMPLETELY DISSOLVED: NH4HSO4, NAHSO4, LC, (NH4)2SO4, KHSO4, MGSO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCL7\n INCLUDE 'isrpia.inc'\n DOUBLE PRECISION LAMDA\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** FIND DRY COMPOSITION **********************************************\nC\n CALL CALCL1A\nC\nC *** SETUP PARAMETERS ************************************************\nC\n CHI1 = CNH4HS4 ! Save from CALCL1 run\n CHI2 = CLC\n CHI3 = CNAHSO4\n CHI4 = CNA2SO4\n CHI5 = CNH42S4\n CHI6 = CK2SO4\n CHI7 = CMGSO4\n CHI8 = CKHSO4\nC\n PSI1 = CNH4HS4 ! ASSIGN INITIAL PSI's\n PSI2 = CLC\n PSI3 = CNAHSO4\n PSI4 = ZERO\n PSI5 = CNH42S4\n PSI6 = ZERO\n PSI7 = CMGSO4\n PSI8 = CKHSO4\nC\n CALAOU = .TRUE. ! Outer loop activity calculation flag\n PSI4LO = ZERO ! Low limit\n PSI4HI = CHI4 ! High limit\nC\nC *** INITIAL VALUES FOR BISECTION ************************************\nC\n IF (CHI4.LE.TINY) THEN\n Y1 = FUNCL7 (ZERO)\n GOTO 50\n ENDIF\nC\n X1 = PSI4HI\n Y1 = FUNCL7 (X1)\n YHI= Y1 ! Save Y-value at HI position\nC\nC *** YHI < 0.0 THE SOLUTION IS ALWAYS UNDERSATURATED WITH K2SO4 *********\nC\n IF (ABS(Y1).LE.EPS .OR. YHI.LT.ZERO) GOTO 50\nC\nC *** ROOT TRACKING ; FOR THE RANGE OF HI AND LO **********************\nC\n DX = (PSI4HI-PSI4LO)/FLOAT(NDIV)\n DO 10 I=1,NDIV\n X2 = X1-DX\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y2 = FUNCL7 (X2)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y2).LT.ZERO) GOTO 20 ! (Y1*Y2.LT.ZERO)\n X1 = X2\n Y1 = Y2\n10 CONTINUE\nC\nC *** { YLO, YHI } > 0.0 THE SOLUTION IS ALWAYS SUPERSATURATED WITH K2SO4\nC\n YLO= Y1 ! Save Y-value at Hi position\n IF (YLO.GT.ZERO .AND. YHI.GT.ZERO) THEN\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y3 = FUNCL7 (ZERO)\n GOTO 50\n ELSE IF (ABS(Y2) .LT. EPS) THEN ! X2 IS A SOLUTION\n GOTO 50\n ELSE\n CALL PUSHERR (0001, 'CALCL7') ! WARNING ERROR: NO SOLUTION\n GOTO 50\n ENDIF\nC *** PERFORM BISECTION ***********************************************\nC\n20 DO 30 I=1,MAXIT\n X3 = 0.5*(X1+X2)\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y3 = FUNCL7 (X3)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y3) .LE. ZERO) THEN ! (Y1*Y3 .LE. ZERO)\n Y2 = Y3\n X2 = X3\n ELSE\n Y1 = Y3\n X1 = X3\n ENDIF\n IF (ABS(X2-X1) .LE. EPS*X1) GOTO 40\n30 CONTINUE\n CALL PUSHERR (0002, 'CALCL7') ! WARNING ERROR: NO CONVERGENCE\nC\nC *** CONVERGED ; RETURN **********************************************\nC\n40 X3 = 0.5*(X1+X2)\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y3 = FUNCL7 (X3)\nC\n50 RETURN\nC\nC *** END OF SUBROUTINE CALCL7 *****************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** FUNCTION FUNCL7\nC *** CASE L7\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE RICH, NO FREE ACID (1.0 <= SULRAT < 2.0)\nC 2. SOLID & LIQUID AEROSOL POSSIBLE\nC 3. SOLIDS POSSIBLE : K2SO4, CASO4, NA2SO4\nC 4. COMPLETELY DISSOLVED: NH4HSO4, NAHSO4, LC, (NH4)2SO4, KHSO4, MGSO4\nC\nC SOLUTION IS SAVED IN COMMON BLOCK /CASE/\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n DOUBLE PRECISION FUNCTION FUNCL7 (P4)\n INCLUDE 'isrpia.inc'\n DOUBLE PRECISION LAMDA\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n PSI4 = P4\nC\nC *** SETUP PARAMETERS ************************************************\nC\n FRST = .TRUE.\n CALAIN = .TRUE.\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A4 = XK5 *(WATER/GAMA(2))**3.0\n A6 = XK17*(WATER/GAMA(17))**3.0\n A9 = XK1*(WATER)*(GAMA(8)**2.0)/(GAMA(7)**3.0)\nC\nC CALCULATE DISSOCIATION QUANTITIES\nC\nC PSI6 = 0.5*(SQRT(A6/A4)*(2.D0*PSI4+PSI3)-PSI8) ! PSI6\nC PSI6 = MIN (MAX (PSI6, ZERO), CHI6)\nC\n IF (CHI6.GT.TINY .AND. WATER.GT.TINY) THEN\n AA = PSI5+PSI4+PSI2+PSI7+PSI8+LAMDA\n BB = PSI8*(PSI5+PSI4+PSI2+PSI7+0.25D0*PSI8+LAMDA)\n CC = 0.25D0*(PSI8*PSI8*(PSI5+PSI4+PSI2+PSI7+LAMDA)-A6)\n CALL POLY3 (AA, BB, CC, PSI6, ISLV)\n IF (ISLV.EQ.0) THEN\n PSI6 = MIN (PSI6, CHI6)\n ELSE\n PSI6 = ZERO\n ENDIF\n ENDIF\nC\n BB = PSI7 + PSI6 + PSI5 + PSI4 + PSI2 + A9 ! LAMDA\n CC = -A9*(PSI8 + PSI1 + PSI2 + PSI3)\n DD = BB*BB - 4.D0*CC\n LAMDA= 0.5D0*(-BB + SQRT(DD))\n LAMDA= MIN(MAX (LAMDA, TINY), PSI8+PSI3+PSI2+PSI1)\nC\nC\nC *** CALCULATE SPECIATION ********************************************\nC\n MOLAL(1) = LAMDA ! HI\n MOLAL(2) = 2.D0*PSI4 + PSI3 ! NAI\n MOLAL(3) = 3.D0*PSI2 + 2.D0*PSI5 + PSI1 ! NH4I\n MOLAL(5) = PSI2 + PSI4 + PSI5 + PSI6 + PSI7 + LAMDA ! SO4I\n MOLAL(6) = MAX(PSI2 + PSI3 + PSI1 + PSI8 - LAMDA, TINY) ! HSO4I\n MOLAL(9) = PSI8 + 2.0*PSI6 ! KI\n MOLAL(10)= PSI7 ! MGI\nC\n CLC = ZERO\n CNAHSO4 = ZERO\n CNA2SO4 = MAX(CHI4 - PSI4, ZERO)\n CNH42S4 = ZERO\n CNH4HS4 = ZERO\n CK2SO4 = MAX(CHI6 - PSI6, ZERO)\n CMGSO4 = ZERO\n CKHSO4 = ZERO\n CALL CALCMR ! Water content\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nC\nC *** CALCULATE OBJECTIVE FUNCTION ************************************\nC\n20 A4 = XK5 *(WATER/GAMA(2))**3.0\n FUNCL7 = MOLAL(5)*MOLAL(2)*MOLAL(2)/A4 - ONE\n RETURN\nC\nC *** END OF FUNCTION FUNCL7 ****************************************\nC\n END\nC\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCL6\nC *** CASE L6\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE RICH, NO FREE ACID (1.0 <= SO4RAT < 2.0)\nC 2. SOLID & LIQUID AEROSOL POSSIBLE\nC 3. SOLIDS POSSIBLE : K2SO4, CASO4, MGSO4, NA2SO4\nC 4. COMPLETELY DISSOLVED: NH4HSO4, NAHSO4, LC, (NH4)2SO4, KHSO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCL6\n INCLUDE 'isrpia.inc'\n DOUBLE PRECISION LAMDA\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** FIND DRY COMPOSITION **********************************************\nC\n CALL CALCL1A\nC\nC *** SETUP PARAMETERS ************************************************\nC\n CHI1 = CNH4HS4 ! Save from CALCL1 run\n CHI2 = CLC\n CHI3 = CNAHSO4\n CHI4 = CNA2SO4\n CHI5 = CNH42S4\n CHI6 = CK2SO4\n CHI7 = CMGSO4\n CHI8 = CKHSO4\nC\n PSI1 = CNH4HS4 ! ASSIGN INITIAL PSI's\n PSI2 = CLC\n PSI3 = CNAHSO4\n PSI4 = ZERO\n PSI5 = CNH42S4\n PSI6 = ZERO\n PSI7 = ZERO\n PSI8 = CKHSO4\nC\n CALAOU = .TRUE. ! Outer loop activity calculation flag\n PSI4LO = ZERO ! Low limit\n PSI4HI = CHI4 ! High limit\nC\nC *** INITIAL VALUES FOR BISECTION ************************************\nC\n IF (CHI4.LE.TINY) THEN\n Y1 = FUNCL6 (ZERO)\n GOTO 50\n ENDIF\nC\n X1 = PSI4HI\n Y1 = FUNCL6 (X1)\n YHI= Y1 ! Save Y-value at HI position\nC\nC *** YHI < 0.0 THE SOLUTION IS ALWAYS UNDERSATURATED WITH K2SO4 *********\nC\n IF (ABS(Y1).LE.EPS .OR. YHI.LT.ZERO) GOTO 50\nC\nC *** ROOT TRACKING ; FOR THE RANGE OF HI AND LO **********************\nC\n DX = (PSI4HI-PSI4LO)/FLOAT(NDIV)\n DO 10 I=1,NDIV\n X2 = X1-DX\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y2 = FUNCL6 (X2)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y2).LT.ZERO) GOTO 20 ! (Y1*Y2.LT.ZERO)\n X1 = X2\n Y1 = Y2\n10 CONTINUE\nC\nC *** { YLO, YHI } > 0.0 THE SOLUTION IS ALWAYS SUPERSATURATED WITH K2SO4\nC\n YLO= Y1 ! Save Y-value at Hi position\n IF (YLO.GT.ZERO .AND. YHI.GT.ZERO) THEN\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y3 = FUNCL6 (ZERO)\n GOTO 50\n ELSE IF (ABS(Y2) .LT. EPS) THEN ! X2 IS A SOLUTION\n GOTO 50\n ELSE\n CALL PUSHERR (0001, 'CALCL6') ! WARNING ERROR: NO SOLUTION\n GOTO 50\n ENDIF\nC\nC *** PERFORM BISECTION ***********************************************\nC\n20 DO 30 I=1,MAXIT\n X3 = 0.5*(X1+X2)\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y3 = FUNCL6 (X3)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y3) .LE. ZERO) THEN ! (Y1*Y3 .LE. ZERO)\n Y2 = Y3\n X2 = X3\n ELSE\n Y1 = Y3\n X1 = X3\n ENDIF\n IF (ABS(X2-X1) .LE. EPS*X1) GOTO 40\n30 CONTINUE\n CALL PUSHERR (0002, 'CALCL6') ! WARNING ERROR: NO CONVERGENCE\nC\nC *** CONVERGED ; RETURN **********************************************\nC\n40 X3 = 0.5*(X1+X2)\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y3 = FUNCL6 (X3)\nC\n50 RETURN\nC\nC *** END OF SUBROUTINE CALCL6 *****************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** FUNCTION FUNCL6\nC *** CASE L6\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE RICH, NO FREE ACID (1.0 <= SULRAT < 2.0)\nC 2. SOLID & LIQUID AEROSOL POSSIBLE\nC 3. SOLIDS POSSIBLE : K2SO4, CASO4, MGSO4, NA2SO4\nC\nC SOLUTION IS SAVED IN COMMON BLOCK /CASE/\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n DOUBLE PRECISION FUNCTION FUNCL6 (P4)\n INCLUDE 'isrpia.inc'\n DOUBLE PRECISION LAMDA\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n PSI4 = P4\nC\nC *** SETUP PARAMETERS ************************************************\nC\n FRST = .TRUE.\n CALAIN = .TRUE.\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A4 = XK5*(WATER/GAMA(2))**3.0\n A6 = XK17*(WATER/GAMA(17))**3.0\n A9 = XK1*(WATER)*(GAMA(8)**2.0)/(GAMA(7)**3.0)\nC\nC CALCULATE DISSOCIATION QUANTITIES\nC\nC PSI6 = 0.5*(SQRT(A6/A4)*(2.D0*PSI4+PSI3)-PSI8) ! PSI6\nC PSI6 = MIN (MAX (PSI6, ZERO), CHI6)\nC\n IF (CHI6.GT.TINY .AND. WATER.GT.TINY) THEN\n AA = PSI5+PSI4+PSI2+PSI7+PSI8+LAMDA\n BB = PSI8*(PSI5+PSI4+PSI2+PSI7+0.25D0*PSI8+LAMDA)\n CC = 0.25D0*(PSI8*PSI8*(PSI5+PSI4+PSI2+PSI7+LAMDA)-A6)\n CALL POLY3 (AA, BB, CC, PSI6, ISLV)\n IF (ISLV.EQ.0) THEN\n PSI6 = MIN (PSI6, CHI6)\n ELSE\n PSI6 = ZERO\n ENDIF\n ENDIF\nC\n PSI7 = CHI7\nC\n BB = PSI7 + PSI6 + PSI5 + PSI4 + PSI2 + A9 ! LAMDA\n CC = -A9*(PSI8 + PSI1 + PSI2 + PSI3)\n DD = BB*BB - 4.D0*CC\n LAMDA= 0.5D0*(-BB + SQRT(DD))\n LAMDA= MIN(MAX (LAMDA, TINY), PSI8+PSI3+PSI2+PSI1)\nC\nC *** CALCULATE SPECIATION ********************************************\nC\n MOLAL(1) = LAMDA ! HI\n MOLAL(2) = 2.D0*PSI4 + PSI3 ! NAI\n MOLAL(3) = 3.D0*PSI2 + 2.D0*PSI5 + PSI1 ! NH4I\n MOLAL(5) = PSI2 + PSI4 + PSI5 + PSI6 + PSI7 + LAMDA ! SO4I\n MOLAL(6) = MAX(PSI2 + PSI3 + PSI1 + PSI8 - LAMDA, TINY) ! HSO4I\n MOLAL(9) = PSI8 + 2.0*PSI6 ! KI\n MOLAL(10)= PSI7 ! MGI\nC\n CLC = ZERO\n CNAHSO4 = ZERO\n CNA2SO4 = MAX(CHI4 - PSI4, ZERO)\n CNH42S4 = ZERO\n CNH4HS4 = ZERO\n CK2SO4 = MAX(CHI6 - PSI6, ZERO)\n CMGSO4 = ZERO\n CKHSO4 = ZERO\n CALL CALCMR ! Water content\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nC\nC *** CALCULATE OBJECTIVE FUNCTION ************************************\nC\n20 A4 = XK5 *(WATER/GAMA(2))**3.0\n FUNCL6 = MOLAL(5)*MOLAL(2)*MOLAL(2)/A4 - ONE\n RETURN\nC\nC *** END OF FUNCTION FUNCL6 ****************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCL5\nC *** CASE L5\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE RICH, NO FREE ACID (1.0 <= SO4RAT < 2.0)\nC 2. SOLID & LIQUID AEROSOL POSSIBLE\nC 3. SOLIDS POSSIBLE : K2SO4, CASO4, MGSO4, KHSO4, NA2SO4\nC 4. COMPLETELY DISSOLVED: NH4HSO4, NAHSO4, LC, (NH4)2SO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCL5\n INCLUDE 'isrpia.inc'\n DOUBLE PRECISION LAMDA\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** FIND DRY COMPOSITION **********************************************\nC\n CALL CALCL1A\nC\nC *** SETUP PARAMETERS ************************************************\nC\n CHI1 = CNH4HS4 ! Save from CALCL1 run\n CHI2 = CLC\n CHI3 = CNAHSO4\n CHI4 = CNA2SO4\n CHI5 = CNH42S4\n CHI6 = CK2SO4\n CHI7 = CMGSO4\n CHI8 = CKHSO4\nC\n PSI1 = CNH4HS4 ! ASSIGN INITIAL PSI's\n PSI2 = CLC\n PSI3 = CNAHSO4\n PSI4 = ZERO\n PSI5 = CNH42S4\n PSI6 = ZERO\n PSI7 = ZERO\n PSI8 = ZERO\nC\n CALAOU = .TRUE. ! Outer loop activity calculation flag\n PSI4LO = ZERO ! Low limit\n PSI4HI = CHI4 ! High limit\n\nC\nC *** INITIAL VALUES FOR BISECTION ************************************\nC\n IF (CHI4.LE.TINY) THEN\n Y1 = FUNCL5 (ZERO)\n GOTO 50\n ENDIF\nC\n X1 = PSI4HI\n Y1 = FUNCL5 (X1)\n YHI= Y1 ! Save Y-value at HI position\nC\nC *** YHI < 0.0 THE SOLUTION IS ALWAYS UNDERSATURATED WITH NA2SO4 *********\nC\n IF (ABS(Y1).LE.EPS .OR. YHI.LT.ZERO) GOTO 50\nC\nC *** ROOT TRACKING ; FOR THE RANGE OF HI AND LO **********************\nC\n\n DX = (PSI4HI-PSI4LO)/FLOAT(NDIV)\n DO 10 I=1,NDIV\n X2 = MAX(X1-DX, PSI4LO)\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y2 = FUNCL5 (X2)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y2).LT.ZERO) GOTO 20 ! (Y1*Y2.LT.ZERO)\n X1 = X2\n Y1 = Y2\n10 CONTINUE\nC\nC *** { YLO, YHI } > 0.0 THE SOLUTION IS ALWAYS SUPERSATURATED WITH NA2SO4\nC\n YLO= Y1 ! Save Y-value at Hi position\n IF (YLO.GT.ZERO .AND. YHI.GT.ZERO) THEN\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y3 = FUNCL5 (ZERO)\n GOTO 50\n ELSE IF (ABS(Y2) .LT. EPS) THEN ! X2 IS A SOLUTION\n GOTO 50\n ELSE\n CALL PUSHERR (0001, 'CALCL5') ! WARNING ERROR: NO SOLUTION\n GOTO 50\n ENDIF\nC\nC *** PERFORM BISECTION ***********************************************\nC\n20 DO 30 I=1,MAXIT\n X3 = 0.5*(X1+X2)\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y3 = FUNCL5 (X3)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y3) .LE. ZERO) THEN ! (Y1*Y3 .LE. ZERO)\n Y2 = Y3\n X2 = X3\n ELSE\n Y1 = Y3\n X1 = X3\n ENDIF\n IF (ABS(X2-X1) .LE. EPS*X1) GOTO 40\n30 CONTINUE\n CALL PUSHERR (0002, 'CALCL5') ! WARNING ERROR: NO CONVERGENCE\nC\nC *** CONVERGED ; RETURN **********************************************\nC\n40 X3 = 0.5*(X1+X2)\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y3 = FUNCL5 (X3)\nC\n50 RETURN\nC\nC *** END OF SUBROUTINE CALCL5 *****************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** FUNCTION FUNCL5\nC *** CASE L5\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE RICH, NO FREE ACID (1.0 <= SULRAT < 2.0)\nC 2. SOLID & LIQUID AEROSOL POSSIBLE\nC 3. SOLIDS POSSIBLE : K2SO4, CASO4, MGSO4, KHSO4, NA2SO4\nC 4. COMPLETELY DISSOLVED: NH4HSO4, NAHSO4, LC, (NH4)2SO4\nC\nC SOLUTION IS SAVED IN COMMON BLOCK /CASE/\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n DOUBLE PRECISION FUNCTION FUNCL5 (P4)\n INCLUDE 'isrpia.inc'\n DOUBLE PRECISION LAMDA\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n PSI4 = P4\nC\nC *** SETUP PARAMETERS ************************************************\nC\n FRST = .TRUE.\n CALAIN = .TRUE.\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A4 = XK5*(WATER/GAMA(2))**3.0\n A6 = XK17*(WATER/GAMA(17))**3.0\n A8 = XK18*(WATER/GAMA(18))**2.0\n A9 = XK1*(WATER)*(GAMA(8)**2.0)/(GAMA(7)**3.0)\nC\nC CALCULATE DISSOCIATION QUANTITIES\nC\nC PSI6 = 0.5*(SQRT(A6/A4)*(2.D0*PSI4+PSI3)-PSI8) ! PSI6\nC PSI6 = MIN (MAX (PSI6, ZERO), CHI6)\nC\n IF (CHI6.GT.TINY .AND. WATER.GT.TINY) THEN\n AA = PSI5+PSI4+PSI2+PSI7+PSI8+LAMDA\n BB = PSI8*(PSI5+PSI4+PSI2+PSI7+0.25D0*PSI8+LAMDA)\n CC = 0.25D0*(PSI8*PSI8*(PSI5+PSI4+PSI2+PSI7+LAMDA)-A6)\n CALL POLY3 (AA, BB, CC, PSI6, ISLV)\n IF (ISLV.EQ.0) THEN\n PSI6 = MIN (PSI6, CHI6)\n ELSE\n PSI6 = ZERO\n ENDIF\n ENDIF\nC\n PSI7 = CHI7\nC\n BB = PSI7 + PSI6 + PSI5 + PSI4 + PSI2 + A9 ! LAMDA\n CC = -A9*(PSI8 + PSI1 + PSI2 + PSI3)\n DD = MAX(BB*BB - 4.D0*CC, ZERO)\n LAMDA= 0.5D0*(-BB + SQRT(DD))\n LAMDA= MIN(MAX (LAMDA, TINY), PSI8+PSI3+PSI2+PSI1)\nC\n BITA = PSI3 + PSI2 + PSI1 + 2.D0*PSI6 - LAMDA\n CAMA = 2.D0*PSI6*(PSI3 + PSI2 + PSI1 - LAMDA) - A8\n DELT = MAX(BITA*BITA - 4.D0*CAMA, ZERO)\n PSI8 = 0.5D0*(-BITA + SQRT(DELT))\n PSI8 = MIN(MAX (PSI8, ZERO), CHI8)\nC\nC *** CALCULATE SPECIATION ********************************************\nC\n MOLAL(1) = LAMDA ! HI\n MOLAL(2) = 2.D0*PSI4 + PSI3 ! NAI\n MOLAL(3) = 3.D0*PSI2 + 2.D0*PSI5 + PSI1 ! NH4I\n MOLAL(5) = PSI2 + PSI4 + PSI5 + PSI6 + PSI7 + LAMDA ! SO4I\n MOLAL(6) = MAX(PSI2 + PSI3 + PSI1 + PSI8 - LAMDA, TINY) ! HSO4I\n MOLAL(9) = PSI8 + 2.0D0*PSI6 ! KI\n MOLAL(10)= PSI7 ! MGI\nC\n CLC = ZERO\n CNAHSO4 = ZERO\n CNA2SO4 = MAX(CHI4 - PSI4, ZERO)\n CNH42S4 = ZERO\n CNH4HS4 = ZERO\n CK2SO4 = MAX(CHI6 - PSI6, ZERO)\n CMGSO4 = ZERO\n CKHSO4 = MAX(CHI8 - PSI8, ZERO)\nC\n CALL CALCMR ! Water content\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nC\nC *** CALCULATE OBJECTIVE FUNCTION ************************************\nC\n20 A4 = XK5 *(WATER/GAMA(2))**3.0\n FUNCL5 = MOLAL(5)*MOLAL(2)*MOLAL(2)/A4 - ONE\nC\n RETURN\nC\nC *** END OF FUNCTION FUNCL5 ****************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCL4\nC *** CASE L4\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE RICH, NO FREE ACID (1.0 <= SO4RAT < 2.0)\nC 2. SOLID & LIQUID AEROSOL POSSIBLE\nC 3. SOLIDS POSSIBLE : K2SO4, CASO4, MGSO4, KHSO4, (NH4)2SO4, NA2SO4\nC 4. COMPLETELY DISSOLVED: NH4HSO4, NAHSO4, LC\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCL4\n INCLUDE 'isrpia.inc'\n DOUBLE PRECISION LAMDA\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** FIND DRY COMPOSITION **********************************************\nC\n CALL CALCL1A\nC\nC *** SETUP PARAMETERS ************************************************\nC\n CHI1 = CNH4HS4 ! Save from CALCL1 run\n CHI2 = CLC\n CHI3 = CNAHSO4\n CHI4 = CNA2SO4\n CHI5 = CNH42S4\n CHI6 = CK2SO4\n CHI7 = CMGSO4\n CHI8 = CKHSO4\nC\n PSI1 = CNH4HS4 ! ASSIGN INITIAL PSI's\n PSI2 = CLC\n PSI3 = CNAHSO4\n PSI4 = ZERO\n PSI5 = ZERO\n PSI6 = ZERO\n PSI7 = ZERO\n PSI8 = ZERO\nC\n CALAOU = .TRUE. ! Outer loop activity calculation flag\n PSI4LO = ZERO ! Low limit\n PSI4HI = CHI4 ! High limit\nC\n IF (CHI4.LE.TINY) THEN\n Y1 = FUNCL4 (ZERO)\n GOTO 50\n ENDIF\nC\nC *** INITIAL VALUES FOR BISECTION ************************************\nC\n X1 = PSI4HI\n Y1 = FUNCL4 (X1)\n YHI= Y1 ! Save Y-value at HI position\nC\nC *** YHI < 0.0 THE SOLUTION IS ALWAYS UNDERSATURATED WITH NA2SO4 *********\nC\n IF (ABS(Y1).LE.EPS .OR. YHI.LT.ZERO) GOTO 50\nC\nC *** ROOT TRACKING ; FOR THE RANGE OF HI AND LO **********************\nC\n DX = (PSI4HI-PSI4LO)/FLOAT(NDIV)\n DO 10 I=1,NDIV\n X2 = X1-DX\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y2 = FUNCL4 (X2)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y2).LT.ZERO) GOTO 20 ! (Y1*Y2.LT.ZERO)\n X1 = X2\n Y1 = Y2\n10 CONTINUE\nC\nC *** { YLO, YHI } > 0.0 THE SOLUTION IS ALWAYS SUPERSATURATED WITH NA2SO4 **\nC\n YLO= Y1 ! Save Y-value at Hi position\n IF (YLO.GT.ZERO .AND. YHI.GT.ZERO) THEN\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y3 = FUNCL4 (ZERO)\n GOTO 50\n ELSE IF (ABS(Y2) .LT. EPS) THEN ! X2 IS A SOLUTION\n GOTO 50\n ELSE\n CALL PUSHERR (0001, 'CALCL4') ! WARNING ERROR: NO SOLUTION\n GOTO 50\n ENDIF\nC\nC *** PERFORM BISECTION ***********************************************\nC\n20 DO 30 I=1,MAXIT\n X3 = 0.5*(X1+X2)\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y3 = FUNCL4 (X3)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y3) .LE. ZERO) THEN ! (Y1*Y3 .LE. ZERO)\n Y2 = Y3\n X2 = X3\n ELSE\n Y1 = Y3\n X1 = X3\n ENDIF\n IF (ABS(X2-X1) .LE. EPS*X1) GOTO 40\n30 CONTINUE\n CALL PUSHERR (0002, 'CALCL4') ! WARNING ERROR: NO CONVERGENCE\nC\nC *** CONVERGED ; RETURN **********************************************\nC\n40 X3 = 0.5*(X1+X2)\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y3 = FUNCL4 (X3)\nC\n50 RETURN\nC\nC *** END OF SUBROUTINE CALCL4 *****************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** FUNCTION FUNCL4\nC *** CASE L4\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE RICH, NO FREE ACID (1.0 <= SULRAT < 2.0)\nC 2. SOLID & LIQUID AEROSOL POSSIBLE\nC 3. SOLIDS POSSIBLE : K2SO4, CASO4, MGSO4, KHSO4, (NH4)2SO4, NA2SO4\nC 4. COMPLETELY DISSOLVED: NH4HSO4, NAHSO4, LC\nC\nC SOLUTION IS SAVED IN COMMON BLOCK /CASE/\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n DOUBLE PRECISION FUNCTION FUNCL4 (P4)\n INCLUDE 'isrpia.inc'\n DOUBLE PRECISION LAMDA\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n PSI4 = P4\nC\nC *** SETUP PARAMETERS ************************************************\nC\n FRST = .TRUE.\n CALAIN = .TRUE.\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A4 = XK5*(WATER/GAMA(2))**3.0\n A5 = XK7*(WATER/GAMA(4))**3.0\n A6 = XK17*(WATER/GAMA(17))**3.0\n A8 = XK18*(WATER/GAMA(18))**2.0\n A9 = XK1 *WATER/GAMA(7)*(GAMA(8)/GAMA(7))**2.0\nC\nC CALCULATE DISSOCIATION QUANTITIES\nC\n PSI5 = (PSI3 + 2.D0*PSI4 - SQRT(A4/A5)*(3.D0*PSI2 + PSI1)) ! psi5\n & /2.D0/SQRT(A4/A5)\n PSI5 = MAX (MIN (PSI5, CHI5), ZERO)\nC\n PSI7 = CHI7\nC\n BB = PSI7 + PSI6 + PSI5 + PSI4 + PSI2 + A9 ! LAMDA\n CC = -A9*(PSI8 + PSI1 + PSI2 + PSI3)\n DD = MAX(BB*BB - 4.D0*CC, ZERO)\n LAMDA= 0.5D0*(-BB + SQRT(DD))\n LAMDA= MIN(MAX (LAMDA, TINY), PSI8+PSI3+PSI2+PSI1)\nC\nC PSI6 = 0.5*(SQRT(A6/A4)*(2.D0*PSI4+PSI3)-PSI8) ! PSI6\nC PSI6 = MIN (MAX (PSI6, ZERO), CHI6)\nC\n IF (CHI6.GT.TINY .AND. WATER.GT.TINY) THEN\n AA = PSI5+PSI4+PSI2+PSI7+PSI8+LAMDA\n BB = PSI8*(PSI5+PSI4+PSI2+PSI7+0.25D0*PSI8+LAMDA)\n CC = 0.25D0*(PSI8*PSI8*(PSI5+PSI4+PSI2+PSI7+LAMDA)-A6)\n CALL POLY3 (AA, BB, CC, PSI6, ISLV)\n IF (ISLV.EQ.0) THEN\n PSI6 = MIN (PSI6, CHI6)\n ELSE\n PSI6 = ZERO\n ENDIF\n ENDIF\nC\n BITA = PSI3 + PSI2 + PSI1 + 2.D0*PSI6 - LAMDA\n CAMA = 2.D0*PSI6*(PSI3 + PSI2 + PSI1 - LAMDA) - A8\n DELT = MAX(BITA*BITA - 4.D0*CAMA, ZERO)\n PSI8 = 0.5D0*(-BITA + SQRT(DELT))\n PSI8 = MIN(MAX (PSI8, ZERO), CHI8)\nC\nC *** CALCULATE SPECIATION ********************************************\nC\n MOLAL(1) = LAMDA ! HI\n MOLAL(2) = 2.D0*PSI4 + PSI3 ! NAI\n MOLAL(3) = 3.D0*PSI2 + 2.D0*PSI5 + PSI1 ! NH4I\n MOLAL(5) = PSI2 + PSI4 + PSI5 + PSI6 + PSI7 + LAMDA ! SO4I\n MOLAL(6) = MAX(PSI2 + PSI3 + PSI1 + PSI8 - LAMDA, TINY) ! HSO4I\n MOLAL(9) = PSI8 + 2.0D0*PSI6 ! KI\n MOLAL(10)= PSI7 ! MGI\nC\n CLC = ZERO\n CNAHSO4 = ZERO\n CNA2SO4 = MAX(CHI4 - PSI4, ZERO)\n CNH42S4 = MAX(CHI5 - PSI5, ZERO)\n CNH4HS4 = ZERO\n CK2SO4 = MAX(CHI6 - PSI6, ZERO)\n CMGSO4 = ZERO\n CKHSO4 = MAX(CHI8 - PSI8, ZERO)\n CALL CALCMR ! Water content\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nC\nC *** CALCULATE OBJECTIVE FUNCTION ************************************\nC\n20 A4 = XK5 *(WATER/GAMA(2))**3.0\n FUNCL4 = MOLAL(5)*MOLAL(2)*MOLAL(2)/A4 - ONE\n RETURN\nC\nC *** END OF FUNCTION FUNCL4 ****************************************\nC\n END\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCL3\nC *** CASE L3\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE RICH, NO FREE ACID (1.0 <= SO4RAT < 2.0)\nC 2. SOLID & LIQUID AEROSOL POSSIBLE\nC 3. SOLIDS POSSIBLE : K2SO4, CASO4, MGSO4, KHSO4, NH4HSO4, NAHSO4, (NH4)2SO4, NA2SO4, LC\nC\nC THERE ARE THREE REGIMES IN THIS CASE:\nC 1.(NA,NH4)HSO4(s) POSSIBLE. LIQUID & SOLID AEROSOL (SUBROUTINE CALCI3A)\nC 2.(NA,NH4)HSO4(s) NOT POSSIBLE, AND RH < MDRH. SOLID AEROSOL ONLY\nC 3.(NA,NH4)HSO4(s) NOT POSSIBLE, AND RH >= MDRH. SOLID & LIQUID AEROSOL\nC\nC REGIMES 2. AND 3. ARE CONSIDERED TO BE THE SAME AS CASES I1A, I2B\nC RESPECTIVELY\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCL3\n INCLUDE 'isrpia.inc'\n EXTERNAL CALCL1A, CALCL4\nC\nC *** FIND DRY COMPOSITION *********************************************\nC\n CALL CALCL1A\nC\nC *** REGIME DEPENDS UPON THE POSSIBLE SOLIDS & RH *********************\nC\n IF (CNH4HS4.GT.TINY .OR. CNAHSO4.GT.TINY) THEN\n SCASE = 'L3 ; SUBCASE 1'\n CALL CALCL3A ! FULL SOLUTION\n SCASE = 'L3 ; SUBCASE 1'\n ENDIF\nC\n IF (WATER.LE.TINY) THEN\n IF (RH.LT.DRML3) THEN ! SOLID SOLUTION\n WATER = TINY\n DO 10 I=1,NIONS\n MOLAL(I) = ZERO\n10 CONTINUE\n CALL CALCL1A\n SCASE = 'L3 ; SUBCASE 2'\nC\n ELSEIF (RH.GE.DRML3) THEN ! MDRH OF L3\n SCASE = 'L3 ; SUBCASE 3'\n CALL CALCMDRH2 (RH, DRML3, DRLC, CALCL1A, CALCL4)\n SCASE = 'L3 ; SUBCASE 3'\n ENDIF\n ENDIF\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCL3 *****************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCL3A\nC *** CASE L3 ; SUBCASE 1\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE RICH, NO FREE ACID (1.0 <= SO4RAT < 2.0)\nC 2. SOLID & LIQUID AEROSOL POSSIBLE\nC 3. SOLIDS POSSIBLE : K2SO4, CASO4, MGSO4, KHSO4, (NH4)2SO4, NA2SO4, LC\nC 4. COMPLETELY DISSOLVED: NH4HSO4, NAHSO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCL3A\n INCLUDE 'isrpia.inc'\n DOUBLE PRECISION LAMDA\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** FIND DRY COMPOSITION **********************************************\nC\n CALL CALCL1A\nC\nC *** SETUP PARAMETERS ************************************************\nC\n CHI1 = CNH4HS4 ! Save from CALCL1 run\n CHI2 = CLC\n CHI3 = CNAHSO4\n CHI4 = CNA2SO4\n CHI5 = CNH42S4\n CHI6 = CK2SO4\n CHI7 = CMGSO4\n CHI8 = CKHSO4\nC\n PSI1 = CNH4HS4 ! ASSIGN INITIAL PSI's\n PSI2 = ZERO\n PSI3 = CNAHSO4\n PSI4 = ZERO\n PSI5 = ZERO\n PSI6 = ZERO\n PSI7 = ZERO\n PSI8 = ZERO\nC\n CALAOU = .TRUE. ! Outer loop activity calculation flag\n PSI2LO = ZERO ! Low limit\n PSI2HI = CHI2 ! High limit\nC\nC *** INITIAL VALUES FOR BISECTION ************************************\nC\n X1 = PSI2HI\n Y1 = FUNCL3A (X1)\n YHI= Y1 ! Save Y-value at HI position\nC\nC *** YHI < 0.0 THE SOLUTION IS ALWAYS UNDERSATURATED WITH LC *********\nC\n IF (YHI.LT.EPS) GOTO 50\nC\nC *** ROOT TRACKING ; FOR THE RANGE OF HI AND LO **********************\nC\n DX = (PSI2HI-PSI2LO)/FLOAT(NDIV)\n DO 10 I=1,NDIV\n X2 = MAX(X1-DX, PSI2LO)\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y2 = FUNCL3A (X2)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y2).LT.ZERO) GOTO 20 ! (Y1*Y2.LT.ZERO)\n X1 = X2\n Y1 = Y2\n10 CONTINUE\nC\nC *** { YLO, YHI } > 0.0 THE SOLUTION IS ALWAYS SUPERSATURATED WITH LC\nC\n IF (Y2.GT.EPS) THEN\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y2 = FUNCL3A (ZERO)\n ENDIF\n GOTO 50\nC\nC *** PERFORM BISECTION ***********************************************\nC\n20 DO 30 I=1,MAXIT\n X3 = 0.5*(X1+X2)\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y3 = FUNCL3A (X3)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y3) .LE. ZERO) THEN ! (Y1*Y3 .LE. ZERO)\n Y2 = Y3\n X2 = X3\n ELSE\n Y1 = Y3\n X1 = X3\n ENDIF\n IF (ABS(X2-X1) .LE. EPS*X1) GOTO 40\n30 CONTINUE\n CALL PUSHERR (0002, 'CALCL3A') ! WARNING ERROR: NO CONVERGENCE\nC\nC *** CONVERGED ; RETURN **********************************************\nC\n40 X3 = 0.5*(X1+X2)\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y3 = FUNCL3A (X3)\nC\n50 RETURN\nC\nC *** END OF SUBROUTINE CALCL3A *****************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE FUNCL3A\nC *** CASE L3 ; SUBCASE 1\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE RICH, NO FREE ACID (1.0 <= SO4RAT < 2.0)\nC 2. SOLID & LIQUID AEROSOL POSSIBLE\nC 3. SOLIDS POSSIBLE : K2SO4, CASO4, MGSO4, KHSO4, (NH4)2SO4, NA2SO4, LC\nC 4. COMPLETELY DISSOLVED: NH4HSO4, NAHSO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n DOUBLE PRECISION FUNCTION FUNCL3A (P2)\n INCLUDE 'isrpia.inc'\n DOUBLE PRECISION LAMDA\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n\n PSI2 = P2 ! Save PSI2 in COMMON BLOCK\n PSI4LO = ZERO ! Low limit for PSI4\n PSI4HI = CHI4 ! High limit for PSI4\nC\nC *** IF NH3 =0, CALL FUNCL3B FOR Y4=0 ********************************\nC\n IF (CHI4.LE.TINY) THEN\n FUNCL3A = FUNCL3B (ZERO)\n GOTO 50\n ENDIF\nC\nC *** INITIAL VALUES FOR BISECTION ************************************\nC\n X1 = PSI4HI\n Y1 = FUNCL3B (X1)\n IF (ABS(Y1).LE.EPS) GOTO 50\n YHI= Y1 ! Save Y-value at HI position\nC\nC *** YHI < 0.0 THE SOLUTION IS ALWAYS UNDERSATURATED WITH NA2SO4 *********\nC\n IF (YHI.LT.ZERO) GOTO 50\nC\nC *** ROOT TRACKING ; FOR THE RANGE OF HI AND LO **********************\nC\n DX = (PSI4HI-PSI4LO)/FLOAT(NDIV)\n DO 10 I=1,NDIV\n X2 = MAX(X1-DX, PSI4LO)\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y2 = FUNCL3B (X2)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y2).LT.ZERO) GOTO 20 ! (Y1*Y2.LT.ZERO)\n X1 = X2\n Y1 = Y2\n10 CONTINUE\nC\nC *** { YLO, YHI } > 0.0 THE SOLUTION IS ALWAYS SUPERSATURATED WITH NA2SO4\nC\n IF (Y2.GT.EPS) THEN\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y2 = FUNCL3B (PSI4LO)\n ENDIF\n GOTO 50\nC\nC *** PERFORM BISECTION ***********************************************\nC\n20 DO 30 I=1,MAXIT\n X3 = 0.5*(X1+X2)\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y3 = FUNCL3B (X3)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y3) .LE. ZERO) THEN ! (Y1*Y3 .LE. ZERO)\n Y2 = Y3\n X2 = X3\n ELSE\n Y1 = Y3\n X1 = X3\n ENDIF\n IF (ABS(X2-X1) .LE. EPS*X1) GOTO 40\n30 CONTINUE\n CALL PUSHERR (0004, 'FUNCL3A') ! WARNING ERROR: NO CONVERGENCE\nC\nC *** INNER LOOP CONVERGED **********************************************\nC\n40 X3 = 0.5*(X1+X2)\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y3 = FUNCL3B (X3)\nC\nC *** CALCULATE FUNCTION VALUE FOR INTERNAL LOOP ***************************\nC\n50 A2 = XK13*(WATER/GAMA(13))**5.0\n FUNCL3A = MOLAL(5)*MOLAL(6)*MOLAL(3)**3.0/A2 - ONE\n RETURN\nC\nC *** END OF FUNCTION FUNCL3A *******************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** FUNCTION FUNCL3B\nC *** CASE L3 ; SUBCASE 2\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE RICH, NO FREE ACID (1.0 <= SULRAT < 2.0)\nC 2. SOLID & LIQUID AEROSOL POSSIBLE\nC 3. SOLIDS POSSIBLE : K2SO4, CASO4, MGSO4, KHSO4, (NH4)2SO4, NA2SO4, LC\nC 4. COMPLETELY DISSOLVED: NH4HSO4, NAHSO4\nC\nC SOLUTION IS SAVED IN COMMON BLOCK /CASE/\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n DOUBLE PRECISION FUNCTION FUNCL3B (P4)\n INCLUDE 'isrpia.inc'\n DOUBLE PRECISION LAMDA\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n PSI4 = P4\nC\n FRST = .TRUE.\n CALAIN = .TRUE.\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A4 = XK5*(WATER/GAMA(2))**3.0\n A5 = XK7*(WATER/GAMA(4))**3.0\n A6 = XK17*(WATER/GAMA(17))**3.0\n A8 = XK18*(WATER/GAMA(18))**2.0\n A9 = XK1*(WATER)*(GAMA(8)**2.0)/(GAMA(7)**3.0)\nC\nC CALCULATE DISSOCIATION QUANTITIES\nC\n PSI5 = (PSI3 + 2.D0*PSI4 - SQRT(A4/A5)*(3.D0*PSI2 + PSI1)) ! psi5\n & /2.D0/SQRT(A4/A5)\n PSI5 = MAX (MIN (PSI5, CHI5), ZERO)\nC\n PSI7 = CHI7\nC\n BB = PSI7 + PSI6 + PSI5 + PSI4 + PSI2 + A9 ! LAMDA\n CC = -A9*(PSI8 + PSI1 + PSI2 + PSI3)\n DD = MAX(BB*BB - 4.D0*CC, ZERO)\n LAMDA= 0.5D0*(-BB + SQRT(DD))\n LAMDA= MIN(MAX (LAMDA, TINY), PSI8+PSI3+PSI2+PSI1)\nC\nC PSI6 = 0.5*(SQRT(A6/A4)*(2.D0*PSI4+PSI3)-PSI8) ! PSI6\nC PSI6 = MIN (MAX (PSI6, ZERO), CHI6)\nC\n IF (CHI6.GT.TINY .AND. WATER.GT.TINY) THEN\n AA = PSI5+PSI4+PSI2+PSI7+PSI8+LAMDA\n BB = PSI8*(PSI5+PSI4+PSI2+PSI7+0.25D0*PSI8+LAMDA)\n CC = 0.25D0*(PSI8*PSI8*(PSI5+PSI4+PSI2+PSI7+LAMDA)-A6)\n CALL POLY3 (AA, BB, CC, PSI6, ISLV)\n IF (ISLV.EQ.0) THEN\n PSI6 = MIN (PSI6, CHI6)\n ELSE\n PSI6 = ZERO\n ENDIF\n ENDIF\nC\n BITA = PSI3 + PSI2 + PSI1 + 2.D0*PSI6 - LAMDA\n CAMA = 2.D0*PSI6*(PSI3 + PSI2 + PSI1 - LAMDA) - A8\n DELT = MAX(BITA*BITA - 4.D0*CAMA, ZERO)\n PSI8 = 0.5D0*(-BITA + SQRT(DELT))\n PSI8 = MIN(MAX (PSI8, ZERO), CHI8)\nC\nC *** CALCULATE SPECIATION ********************************************\nC\n MOLAL(1) = LAMDA ! HI\n MOLAL(2) = 2.D0*PSI4 + PSI3 ! NAI\n MOLAL(3) = 3.D0*PSI2 + 2.D0*PSI5 + PSI1 ! NH4I\n MOLAL(5) = PSI2 + PSI4 + PSI5 + PSI6 + PSI7 + LAMDA ! SO4I\n MOLAL(6) = MAX(PSI2 + PSI3 + PSI1 + PSI8 - LAMDA, TINY) ! HSO4I\n MOLAL(9) = PSI8 + 2.0D0*PSI6 ! KI\n MOLAL(10)= PSI7 ! MGI\nC\n CLC = MAX(CHI2 - PSI2, ZERO)\n CNAHSO4 = ZERO\n CNA2SO4 = MAX(CHI4 - PSI4, ZERO)\n CNH42S4 = MAX(CHI5 - PSI5, ZERO)\n CNH4HS4 = ZERO\n CK2SO4 = MAX(CHI6 - PSI6, ZERO)\n CMGSO4 = MAX(CHI7 - PSI7, ZERO)\n CKHSO4 = MAX(CHI8 - PSI8, ZERO)\n CALL CALCMR ! Water content\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nC\nC *** CALCULATE OBJECTIVE FUNCTION ************************************\nC\n20 A4 = XK5 *(WATER/GAMA(2))**3.0\n FUNCL3B = MOLAL(5)*MOLAL(2)*MOLAL(2)/A4 - ONE\n RETURN\nC\nC *** END OF FUNCTION FUNCL3B ****************************************\nC\n END\n\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCL2\nC *** CASE L2\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE RICH, NO FREE ACID (1.0 <= SO4RAT < 2.0)\nC 2. SOLID & LIQUID AEROSOL POSSIBLE\nC 3. SOLIDS POSSIBLE : K2SO4, CASO4, MGSO4, KHSO4, NH4HSO4, NAHSO4, (NH4)2SO4, NA2SO4, LC\nC\nC THERE ARE THREE REGIMES IN THIS CASE:\nC 1. NH4HSO4(s) POSSIBLE. LIQUID & SOLID AEROSOL (SUBROUTINE CALCL2A)\nC 2. NH4HSO4(s) NOT POSSIBLE, AND RH < MDRH. SOLID AEROSOL ONLY\nC 3. NH4HSO4(s) NOT POSSIBLE, AND RH >= MDRH. SOLID & LIQUID AEROSOL\nC\nC REGIMES 2. AND 3. ARE CONSIDERED TO BE THE SAME AS CASES L1A, L2B\nC RESPECTIVELY\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCL2\n INCLUDE 'isrpia.inc'\n EXTERNAL CALCL1A, CALCL3A\nC\nC *** FIND DRY COMPOSITION **********************************************\nC\n CALL CALCL1A\nC\nC *** REGIME DEPENDS UPON THE POSSIBLE SOLIDS & RH **********************\nC\n IF (CNH4HS4.GT.TINY) THEN\n SCASE = 'L2 ; SUBCASE 1'\n CALL CALCL2A\n SCASE = 'L2 ; SUBCASE 1'\n ENDIF\nC\n IF (WATER.LE.TINY) THEN\n IF (RH.LT.DRML2) THEN ! SOLID SOLUTION ONLY\n WATER = TINY\n DO 10 I=1,NIONS\n MOLAL(I) = ZERO\n10 CONTINUE\n CALL CALCL1A\n SCASE = 'L2 ; SUBCASE 2'\nC\n ELSEIF (RH.GE.DRML2) THEN ! MDRH OF L2\n SCASE = 'L2 ; SUBCASE 3'\n CALL CALCMDRH2 (RH, DRML2, DRNAHSO4, CALCL1A, CALCL3A)\n SCASE = 'L2 ; SUBCASE 3'\n ENDIF\n ENDIF\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCL2 ******************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCL2A\nC *** CASE L2 ; SUBCASE 1\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE RICH, NO FREE ACID (1.0 <= SO4RAT < 2.0)\nC 2. SOLID & LIQUID AEROSOL POSSIBLE\nC 3. SOLIDS POSSIBLE : K2SO4, CASO4, MGSO4, KHSO4, NAHSO4, (NH4)2SO4, NA2SO4, LC\nC 4. COMPLETELY DISSOLVED: NH4HSO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCL2A\n INCLUDE 'isrpia.inc'\n DOUBLE PRECISION LAMDA\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n CHI1 = CNH4HS4 ! Save from CALCL1 run\n CHI2 = CLC\n CHI3 = CNAHSO4\n CHI4 = CNA2SO4\n CHI5 = CNH42S4\n CHI6 = CK2SO4\n CHI7 = CMGSO4\n CHI8 = CKHSO4\nC\n\n PSI1 = CNH4HS4 ! ASSIGN INITIAL PSI's\n PSI2 = ZERO\n PSI3 = ZERO\n PSI4 = ZERO\n PSI5 = ZERO\n PSI6 = ZERO\n PSI7 = ZERO\n PSI8 = ZERO\nC\n CALAOU = .TRUE. ! Outer loop activity calculation flag\n PSI2LO = ZERO ! Low limit\n PSI2HI = CHI2 ! High limit\nC\nC *** INITIAL VALUES FOR BISECTION ************************************\nC\n X1 = PSI2HI\n Y1 = FUNCL2A (X1)\n YHI= Y1 ! Save Y-value at HI position\nC\nC *** YHI < 0.0 THE SOLUTION IS ALWAYS UNDERSATURATED WITH NA2SO4 *********\nC\n IF (YHI.LT.EPS) GOTO 50\nC\nC *** ROOT TRACKING ; FOR THE RANGE OF HI AND LO **********************\nC\n DX = (PSI2HI-PSI2LO)/FLOAT(NDIV)\n DO 10 I=1,NDIV\n X2 = MAX(X1-DX, PSI2LO)\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y2 = FUNCL2A (X2)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y2).LT.ZERO) GOTO 20 ! (Y1*Y2.LT.ZERO)\n X1 = X2\n Y1 = Y2\n10 CONTINUE\nC\nC *** { YLO, YHI } > 0.0 THE SOLUTION IS ALWAYS SUPERSATURATED WITH NA2SO4\nC\n IF (Y2.GT.EPS) THEN\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y2 = FUNCL2A (ZERO)\n ENDIF\n GOTO 50\nC\nC *** PERFORM BISECTION ***********************************************\nC\n20 DO 30 I=1,MAXIT\n X3 = 0.5*(X1+X2)\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y3 = FUNCL2A (X3)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y3) .LE. ZERO) THEN ! (Y1*Y3 .LE. ZERO)\n Y2 = Y3\n X2 = X3\n ELSE\n Y1 = Y3\n X1 = X3\n ENDIF\n IF (ABS(X2-X1) .LE. EPS*X1) GOTO 40\n30 CONTINUE\n CALL PUSHERR (0002, 'CALCL2A') ! WARNING ERROR: NO CONVERGENCE\nC\nC *** CONVERGED ; RETURN **********************************************\nC\n40 X3 = 0.5*(X1+X2)\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y3 = FUNCL2A (X3)\nC\n50 RETURN\nC\nC *** END OF SUBROUTINE CALCL2A *****************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE FUNCL2A\nC *** CASE L2 ; SUBCASE 1\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE RICH, NO FREE ACID (1.0 <= SO4RAT < 2.0)\nC 2. SOLID & LIQUID AEROSOL POSSIBLE\nC 3. SOLIDS POSSIBLE : K2SO4, CASO4, MGSO4, KHSO4, NAHSO4, (NH4)2SO4, NA2SO4, LC\nC 4. COMPLETELY DISSOLVED: NH4HSO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n DOUBLE PRECISION FUNCTION FUNCL2A (P2)\n INCLUDE 'isrpia.inc'\n DOUBLE PRECISION LAMDA\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n\n PSI2 = P2 ! Save PSI3 in COMMON BLOCK\n PSI4LO = ZERO ! Low limit for PSI4\n PSI4HI = CHI4 ! High limit for PSI4\nC\nC *** IF NH3 =0, CALL FUNCL3B FOR Y4=0 ********************************\nC\n\n IF (CHI4.LE.TINY) THEN\n FUNCL2A = FUNCL2B (ZERO)\n GOTO 50\n ENDIF\nC\nC *** INITIAL VALUES FOR BISECTION ************************************\nC\n\n X1 = PSI4HI\n Y1 = FUNCL2B (X1)\n\n IF (ABS(Y1).LE.EPS) GOTO 50\n YHI= Y1 ! Save Y-value at HI position\nC\nC *** YHI < 0.0 THE SOLUTION IS ALWAYS UNDERSATURATED WITH LC *********\nC\n IF (YHI.LT.ZERO) GOTO 50\nC\nC *** ROOT TRACKING ; FOR THE RANGE OF HI AND LO **********************\nC\n DX = (PSI4HI-PSI4LO)/FLOAT(NDIV)\n DO 10 I=1,NDIV\n X2 = MAX(X1-DX, PSI4LO)\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y2 = FUNCL2B (X2)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y2).LT.ZERO) GOTO 20 ! (Y1*Y2.LT.ZERO)\n X1 = X2\n Y1 = Y2\n10 CONTINUE\nC\nC *** { YLO, YHI } > 0.0 THE SOLUTION IS ALWAYS SUPERSATURATED WITH LC\nC\n IF (Y2.GT.EPS) THEN\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012) \n Y2 = FUNCL2B (PSI4LO)\n ENDIF\n GOTO 50\nC\nC *** PERFORM BISECTION ***********************************************\nC\n20 DO 30 I=1,MAXIT\n X3 = 0.5*(X1+X2)\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y3 = FUNCL2B (X3)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y3) .LE. ZERO) THEN ! (Y1*Y3 .LE. ZERO)\n Y2 = Y3\n X2 = X3\n ELSE\n Y1 = Y3\n X1 = X3\n ENDIF\n IF (ABS(X2-X1) .LE. EPS*X1) GOTO 40\n30 CONTINUE\n CALL PUSHERR (0004, 'FUNCL2A') ! WARNING ERROR: NO CONVERGENCE\nC\nC *** INNER LOOP CONVERGED **********************************************\nC\n40 X3 = 0.5*(X1+X2)\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y3 = FUNCL2B (X3)\nC\nC *** CALCULATE FUNCTION VALUE FOR OUTER LOOP ***************************\nC\n50 A2 = XK13*(WATER/GAMA(13))**5.0\n FUNCL2A = MOLAL(5)*MOLAL(6)*MOLAL(3)**3.0/A2 - ONE\n RETURN\nC\nC *** END OF FUNCTION FUNCL2A *******************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE FUNCL2B\nC *** CASE L2 ; SUBCASE 2\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE RICH, NO FREE ACID (1.0 <= SO4RAT < 2.0)\nC 2. SOLID & LIQUID AEROSOL POSSIBLE\nC 3. SOLIDS POSSIBLE : K2SO4, CASO4, MGSO4, KHSO4, NAHSO4, (NH4)2SO4, NA2SO4, LC\nC 4. COMPLETELY DISSOLVED: NH4HSO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n DOUBLE PRECISION FUNCTION FUNCL2B (P4)\n INCLUDE 'isrpia.inc'\n DOUBLE PRECISION LAMDA\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n PSI4 = P4 ! Save PSI4 in COMMON BLOCK\nC\nC *** SETUP PARAMETERS ************************************************\nC\n FRST = .TRUE.\n CALAIN = .TRUE.\n PSI3 = CHI3\n PSI5 = CHI5\n LAMDA = ZERO\n PSI6 = CHI6\n PSI8 = CHI8\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A3 = XK11*(WATER/GAMA(12))**2.0\n A4 = XK5*(WATER/GAMA(2))**3.0\n A5 = XK7*(WATER/GAMA(4))**3.0\n A6 = XK17*(WATER/GAMA(17))**3.0\n A8 = XK18*(WATER/GAMA(18))**2.0\n A9 = XK1*(WATER)*(GAMA(8)**2.0)/(GAMA(7)**3.0)\nC\nC CALCULATE DISSOCIATION QUANTITIES\nC\n PSI5 = (PSI3 + 2.D0*PSI4 - SQRT(A4/A5)*(3.D0*PSI2 + PSI1)) ! psi5\n & /2.D0/SQRT(A4/A5)\n PSI5 = MAX (MIN (PSI5, CHI5), ZERO)\nC\n IF (CHI3.GT.TINY .AND. WATER.GT.TINY) THEN\n AA = 2.D0*PSI4 + PSI2 + PSI1 + PSI8 - LAMDA\n BB = 2.D0*PSI4*(PSI2 + PSI1 + PSI8 - LAMDA) - A3\n CC = ZERO\n CALL POLY3 (AA, BB, CC, PSI3, ISLV)\n IF (ISLV.EQ.0) THEN\n PSI3 = MIN (PSI3, CHI3)\n ELSE\n PSI3 = ZERO\n ENDIF\n ENDIF\nC\n PSI7 = CHI7\nC\n BB = PSI7 + PSI6 + PSI5 + PSI4 + PSI2 + A9 ! LAMDA\n CC = -A9*(PSI8 + PSI1 + PSI2 + PSI3)\n DD = MAX(BB*BB - 4.D0*CC, ZERO)\n LAMDA= 0.5D0*(-BB + SQRT(DD))\n LAMDA= MIN(MAX (LAMDA, TINY), PSI8+PSI3+PSI2+PSI1)\nC\nC PSI6 = 0.5*(SQRT(A6/A4)*(2.D0*PSI4+PSI3)-PSI8) ! PSI6\nC PSI6 = MIN (MAX (PSI6, ZERO), CHI6)\nC\n IF (CHI6.GT.TINY .AND. WATER.GT.TINY) THEN\n AA = PSI5+PSI4+PSI2+PSI7+PSI8+LAMDA\n BB = PSI8*(PSI5+PSI4+PSI2+PSI7+0.25D0*PSI8+LAMDA)\n CC = 0.25D0*(PSI8*PSI8*(PSI5+PSI4+PSI2+PSI7+LAMDA)-A6)\n CALL POLY3 (AA, BB, CC, PSI6, ISLV)\n IF (ISLV.EQ.0) THEN\n PSI6 = MIN (PSI6, CHI6)\n ELSE\n PSI6 = ZERO\n ENDIF\n ENDIF\nC\n BITA = PSI3 + PSI2 + PSI1 + 2.D0*PSI6 - LAMDA ! PSI8\n CAMA = 2.D0*PSI6*(PSI3 + PSI2 + PSI1 - LAMDA) - A8\n DELT = MAX(BITA*BITA - 4.D0*CAMA, ZERO)\n PSI8 = 0.5D0*(-BITA + SQRT(DELT))\n PSI8 = MIN(MAX (PSI8, ZERO), CHI8)\nC\nC *** CALCULATE SPECIATION ********************************************\nC\n MOLAL(1) = LAMDA ! HI\n MOLAL(2) = 2.D0*PSI4 + PSI3 ! NAI\n MOLAL(3) = 3.D0*PSI2 + 2.D0*PSI5 + PSI1 ! NH4I\n MOLAL(5) = PSI2 + PSI4 + PSI5 + PSI6 + PSI7 + LAMDA ! SO4I\n MOLAL(6) = MAX(PSI2 + PSI3 + PSI1 + PSI8 - LAMDA, TINY) ! HSO4I\n MOLAL(9) = PSI8 + 2.0D0*PSI6 ! KI\n MOLAL(10)= PSI7 ! MGI\nC\n CLC = MAX(CHI2 - PSI2, ZERO)\n CNAHSO4 = MAX(CHI3 - PSI3, ZERO)\n CNA2SO4 = MAX(CHI4 - PSI4, ZERO)\n CNH42S4 = MAX(CHI5 - PSI5, ZERO)\n CNH4HS4 = ZERO\n CK2SO4 = MAX(CHI6 - PSI6, ZERO)\n CMGSO4 = MAX(CHI7 - PSI7, ZERO)\n CKHSO4 = MAX(CHI8 - PSI8, ZERO)\n CALL CALCMR ! Water content\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nC\nC *** CALCULATE OBJECTIVE FUNCTION ************************************\nC\n20 A4 = XK5 *(WATER/GAMA(2))**3.0\n FUNCL2B = MOLAL(5)*MOLAL(2)*MOLAL(2)/A4 - ONE\n RETURN\nC\nC *** END OF FUNCTION FUNCL2B ****************************************\nC\n END\n\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCL1\nC *** CASE L1\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE RICH, NO FREE ACID (1.0 <= SO4RAT < 2.0)\nC 2. SOLID & LIQUID AEROSOL POSSIBLE\nC 3. SOLIDS POSSIBLE : K2SO4, CASO4, MGSO4, KHSO4, NH4HSO4, NAHSO4, (NH4)2SO4, NA2SO4, LC\nC\nC THERE ARE TWO POSSIBLE REGIMES HERE, DEPENDING ON RELATIVE HUMIDITY:\nC 1. WHEN RH >= MDRH ; LIQUID PHASE POSSIBLE (MDRH REGION)\nC 2. WHEN RH < MDRH ; ONLY SOLID PHASE POSSIBLE (SUBROUTINE CALCI1A)\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCL1\n INCLUDE 'isrpia.inc'\n EXTERNAL CALCL1A, CALCL2A\nC\nC *** REGIME DEPENDS UPON THE AMBIENT RELATIVE HUMIDITY *****************\nC\n IF (RH.LT.DRML1) THEN\n SCASE = 'L1 ; SUBCASE 1'\n CALL CALCL1A ! SOLID PHASE ONLY POSSIBLE\n SCASE = 'L1 ; SUBCASE 1'\n ELSE\n SCASE = 'L1 ; SUBCASE 2' ! LIQUID & SOLID PHASE POSSIBLE\n CALL CALCMDRH2 (RH, DRML1, DRNH4HS4, CALCL1A, CALCL2A)\n SCASE = 'L1 ; SUBCASE 2'\n ENDIF\nC\nC *** AMMONIA IN GAS PHASE **********************************************\nC\nC CALL CALCNH3\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCL1 ******************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCL1A\nC *** CASE L1A\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE RICH, NO FREE ACID (1.0 <= SO4RAT < 2.0)\nC 2. SOLID AEROSOL ONLY\nC 3. SOLIDS POSSIBLE : K2SO4, CASO4, MGSO4, KHSO4, NH4HSO4, NAHSO4, (NH4)2SO4, NA2SO4, LC\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCL1A\n INCLUDE 'isrpia.inc'\nC\nC *** CALCULATE NON VOLATILE SOLIDS ***********************************\nC\n CCASO4 = MIN (W(6), W(2)) ! CCASO4\n FRSO4 = MAX(W(2) - CCASO4, ZERO)\n CAFR = MAX(W(6) - CCASO4, ZERO)\n CK2SO4 = MIN (0.5D0*W(7), FRSO4) ! CK2SO4\n FRK = MAX(W(7) - 2.D0*CK2SO4, ZERO)\n FRSO4 = MAX(FRSO4 - CK2SO4, ZERO)\n CNA2SO4 = MIN (0.5D0*W(1), FRSO4) ! CNA2SO4\n FRNA = MAX(W(1) - 2.D0*CNA2SO4, ZERO)\n FRSO4 = MAX(FRSO4 - CNA2SO4, ZERO)\n CMGSO4 = MIN (W(8), FRSO4) ! CMGSO4\n FRMG = MAX(W(8) - CMGSO4, ZERO)\n FRSO4 = MAX(FRSO4 - CMGSO4, ZERO)\nC\n CNH4HS4 = ZERO\n CNAHSO4 = ZERO\n CNH42S4 = ZERO\n CKHSO4 = ZERO\nC\n CLC = MIN(W(3)/3.D0, FRSO4/2.D0)\n FRSO4 = MAX(FRSO4-2.D0*CLC, ZERO)\n FRNH4 = MAX(W(3)-3.D0*CLC, ZERO)\nC\n IF (FRSO4.LE.TINY) THEN\n CLC = MAX(CLC - FRNH4, ZERO)\n CNH42S4 = 2.D0*FRNH4\n\n ELSEIF (FRNH4.LE.TINY) THEN\n CNH4HS4 = 3.D0*MIN(FRSO4, CLC)\n CLC = MAX(CLC-FRSO4, ZERO)\nC IF (CK2SO4.GT.TINY) THEN\nC FRSO4 = MAX(FRSO4-CNH4HS4/3.D0, ZERO)\nC CKHSO4 = 2.D0*FRSO4\nC CK2SO4 = MAX(CK2SO4-FRSO4, ZERO)\nC ENDIF\nC IF (CNA2SO4.GT.TINY) THEN\nC FRSO4 = MAX(FRSO4-CKHSO4/2.D0, ZERO)\nC CNAHSO4 = 2.D0*FRSO4\nC CNA2SO4 = MAX(CNA2SO4-FRSO4, ZERO)\nC ENDIF\nC\n IF (CNA2SO4.GT.TINY) THEN\n FRSO4 = MAX(FRSO4-CNH4HS4/3.D0, ZERO)\n CNAHSO4 = 2.D0*FRSO4\n CNA2SO4 = MAX(CNA2SO4-FRSO4, ZERO)\n ENDIF\n IF (CK2SO4.GT.TINY) THEN\n FRSO4 = MAX(FRSO4-CNH4HS4/3.D0, ZERO)\n CKHSO4 = 2.D0*FRSO4\n CK2SO4 = MAX(CK2SO4-FRSO4, ZERO)\n ENDIF\n ENDIF\nC\nC *** CALCULATE GAS SPECIES ********************************************\nC\n GHNO3 = W(4)\n GHCL = W(5)\n GNH3 = ZERO\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCL1A *****************************************\nC\n END\nC\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCK4\nC *** CASE K4\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE SUPER RICH, FREE ACID (SO4RAT < 1.0)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : CASO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCK4\n INCLUDE 'isrpia.inc'\nC\n DOUBLE PRECISION LAMDA, KAPA\n COMMON /CASEK/ CHI1,CHI2,CHI3,CHI4,LAMDA,KAPA,PSI1,PSI2,PSI3,\n & A1, A2, A3, A4\nC\nC *** SETUP PARAMETERS ************************************************\nC\n CALAOU =.TRUE. ! Outer loop activity calculation flag\n FRST = .TRUE.\n CALAIN = .TRUE.\nC\n CHI1 = W(3) ! Total NH4 initially as NH4HSO4\n CHI2 = W(1) ! Total NA initially as NaHSO4\n CHI3 = W(7) ! Total K initially as KHSO4\n CHI4 = W(8) ! Total Mg initially as MgSO4\nC\n LAMDA = MAX(W(2) - W(3) - W(1) - W(6) - W(7) - W(8), TINY) ! FREE H2SO4\n PSI1 = CHI1 ! ALL NH4HSO4 DELIQUESCED\n PSI2 = CHI2 ! ALL NaHSO4 DELIQUESCED\n PSI3 = CHI3 ! ALL KHSO4 DELIQUESCED\n PSI4 = CHI4 ! ALL MgSO4 DELIQUESCED\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A4 = XK1 *WATER/GAMA(7)*(GAMA(8)/GAMA(7))**2.0\nC\n BB = A4+LAMDA+PSI4 ! KAPA\n CC =-A4*(LAMDA + PSI3 + PSI2 + PSI1) + LAMDA*PSI4\n DD = MAX(BB*BB-4.D0*CC, ZERO)\n KAPA = 0.5D0*(-BB+SQRT(DD))\nC\nC *** SAVE CONCENTRATIONS IN MOLAL ARRAY ******************************\nC\n MOLAL (1) = MAX(LAMDA + KAPA, TINY) ! HI\n MOLAL (2) = PSI2 ! NAI\n MOLAL (3) = PSI1 ! NH4I\n MOLAL (5) = MAX(KAPA + PSI4, ZERO) ! SO4I\n MOLAL (6) = MAX(LAMDA + PSI1 + PSI2 + PSI3 - KAPA, ZERO) ! HSO4I\n MOLAL (9) = PSI3 ! KI\n MOLAL (10)= PSI4 ! MGI\nC\n CNH4HS4 = ZERO\n CNAHSO4 = ZERO\n CKHSO4 = ZERO\n CCASO4 = W(6)\n CMGSO4 = ZERO\nC\n CALL CALCMR ! Water content\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nC\n20 RETURN\nC\nC *** END OF SUBROUTINE CALCK4\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCK3\nC *** CASE K3\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE SUPER RICH, FREE ACID (SO4RAT < 1.0)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : KHSO4, CASO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCK3\n INCLUDE 'isrpia.inc'\nC\n DOUBLE PRECISION LAMDA, KAPA\n COMMON /CASEK/ CHI1,CHI2,CHI3,CHI4,LAMDA,KAPA,PSI1,PSI2,PSI3,\n & A1, A2, A3, A4\nC\nC *** SETUP PARAMETERS ************************************************\nC\n CALAOU =.TRUE. ! Outer loop activity calculation flag\n CHI1 = W(3) ! Total NH4 initially as NH4HSO4\n CHI2 = W(1) ! Total NA initially as NaHSO4\n CHI3 = W(7) ! Total K initially as KHSO4\n CHI4 = W(8) ! Total Mg initially as MgSO4\nC\n PSI3LO = TINY ! Low limit\n PSI3HI = CHI3 ! High limit\nC\nC *** INITIAL VALUES FOR BISECTION ************************************\nC\n X1 = PSI3HI\n Y1 = FUNCK3 (X1)\n YHI= Y1 ! Save Y-value at HI position\nC\nC *** YHI < 0.0 THE SOLUTION IS ALWAYS UNDERSATURATED WITH KHSO4 ****\nC\n IF (ABS(Y1).LE.EPS .OR. YHI.LT.ZERO) GOTO 50\nC\nC *** ROOT TRACKING ; FOR THE RANGE OF HI AND LO **********************\nC\n DX = (PSI3HI-PSI3LO)/FLOAT(NDIV)\n DO 10 I=1,NDIV\n X2 = X1-DX\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y2 = FUNCK3 (X2)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y2).LT.ZERO) GOTO 20 ! (Y1*Y2.LT.ZERO)\n X1 = X2\n Y1 = Y2\n10 CONTINUE\nC\nC *** { YLO, YHI } > 0.0 THE SOLUTION IS ALWAYS SUPERSATURATED WITH KHSO4\nC\n YLO= Y1 ! Save Y-value at Hi position\n IF (YLO.GT.ZERO .AND. YHI.GT.ZERO) THEN\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y3 = FUNCK3 (ZERO)\n GOTO 50\n ELSE IF (ABS(Y2) .LT. EPS) THEN ! X2 IS A SOLUTION\n GOTO 50\n ELSE\n CALL PUSHERR (0001, 'CALCK3') ! WARNING ERROR: NO SOLUTION\n GOTO 50\n ENDIF\nC\nC *** PERFORM BISECTION ***********************************************\nC\n20 DO 30 I=1,MAXIT\n X3 = 0.5*(X1+X2)\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y3 = FUNCK3 (X3)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y3) .LE. ZERO) THEN ! (Y1*Y3 .LE. ZERO)\n Y2 = Y3\n X2 = X3\n ELSE\n Y1 = Y3\n X1 = X3\n ENDIF\n IF (ABS(X2-X1) .LE. EPS*X1) GOTO 40\n30 CONTINUE\n CALL PUSHERR (0002, 'CALCK3') ! WARNING ERROR: NO CONVERGENCE\nC\nC *** CONVERGED ; RETURN **********************************************\nC\n40 X3 = 0.5*(X1+X2)\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y3 = FUNCK3 (X3)\nC\n50 RETURN\nC\nC *** END OF SUBROUTINE CALCK3 ******************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE FUNCK3\nC *** CASE K3\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE SUPER RICH, FREE ACID (SO4RAT < 1.0)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : KHSO4, CaSO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n DOUBLE PRECISION FUNCTION FUNCK3 (P1)\n INCLUDE 'isrpia.inc'\n DOUBLE PRECISION LAMDA, KAPA\n COMMON /CASEK/ CHI1,CHI2,CHI3,CHI4,LAMDA,KAPA,PSI1,PSI2,PSI3,\n & A1, A2, A3, A4\nC\nC *** SETUP PARAMETERS ************************************************\nC\n FRST = .TRUE.\n CALAIN = .TRUE.\nC\n LAMDA = MAX(W(2) - W(3) - W(1) - W(6) - W(7) - W(8), TINY) ! FREE H2SO4\n PSI3 = P1\n PSI1 = CHI1 ! ALL NH4HSO4 DELIQUESCED\n PSI2 = CHI2 ! ALL NaHSO4 DELIQUESCED\n PSI4 = CHI4 ! ALL MgSO4 DELIQUESCED\n\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A3 = XK18 *(WATER/GAMA(18))**2.0\n A4 = XK1 *WATER/GAMA(7)*(GAMA(8)/GAMA(7))**2.0\nC\nC\n BB = A4+LAMDA+PSI4 ! KAPA\n CC =-A4*(LAMDA + PSI3 + PSI2 + PSI1) + LAMDA*PSI4\n DD = MAX(BB*BB-4.D0*CC, ZERO)\n KAPA = 0.5D0*(-BB+SQRT(DD))\nC\nC *** SAVE CONCENTRATIONS IN MOLAL ARRAY ******************************\nC\n MOLAL (1) = MAX(LAMDA + KAPA, ZERO) ! HI\n MOLAL (2) = PSI2 ! NAI\n MOLAL (3) = PSI1 ! NH4I\n MOLAL (4) = ZERO\n MOLAL (5) = MAX(KAPA + PSI4, ZERO) ! SO4I\n MOLAL (6) = MAX(LAMDA+PSI1+PSI2+PSI3-KAPA,ZERO) ! HSO4I\n MOLAL (7) = ZERO\n MOLAL (8) = ZERO\n MOLAL (9) = PSI3 ! KI\n MOLAL (10)= PSI4\nC\n CNH4HS4 = ZERO\n CNAHSO4 = ZERO\n CKHSO4 = CHI3-PSI3\n CCASO4 = W(6)\n CMGSO4 = ZERO\nC\n CALL CALCMR ! Water content\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nC\nC *** CALCULATE OBJECTIVE FUNCTION ************************************\nC\n20 FUNCK3 = MOLAL(9)*MOLAL(6)/A3 - ONE\nC\nC *** END OF FUNCTION FUNCK3 *******************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCK2\nC *** CASE K2\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE SUPER RICH, FREE ACID (SO4RAT < 1.0)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : NAHSO4, KHSO4, CaSO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCK2\n INCLUDE 'isrpia.inc'\nC\n DOUBLE PRECISION LAMDA, KAPA\n COMMON /CASEK/ CHI1,CHI2,CHI3,CHI4,LAMDA,KAPA,PSI1,PSI2,PSI3,\n & A1, A2, A3, A4\nC\nC *** SETUP PARAMETERS ************************************************\nC\n CALAOU =.TRUE. ! Outer loop activity calculation flag\n CHI1 = W(3) ! Total NH4 initially as NH4HSO4\n CHI2 = W(1) ! Total NA initially as NaHSO4\n CHI3 = W(7) ! Total K initially as KHSO4\n CHI4 = W(8) ! Total Mg initially as MgSO4\nC\n PSI3LO = TINY ! Low limit\n PSI3HI = CHI3 ! High limit\nC\nC *** INITIAL VALUES FOR BISECTION ************************************\nC\n X1 = PSI3HI\n Y1 = FUNCK2 (X1)\n YHI= Y1 ! Save Y-value at HI position\nC\nC *** YHI < 0.0 THE SOLUTION IS ALWAYS UNDERSATURATED WITH KHSO4 ****\nC\n IF (ABS(Y1).LE.EPS .OR. YHI.LT.ZERO) GOTO 50\nC\nC *** ROOT TRACKING ; FOR THE RANGE OF HI AND LO **********************\nC\n DX = (PSI3HI-PSI3LO)/FLOAT(NDIV)\n DO 10 I=1,NDIV\n X2 = X1-DX\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y2 = FUNCK2 (X2)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y2).LT.ZERO) GOTO 20 ! (Y1*Y2.LT.ZERO)\n X1 = X2\n Y1 = Y2\n10 CONTINUE\nC\nC *** { YLO, YHI } > 0.0 THE SOLUTION IS ALWAYS SUPERSATURATED WITH KHSO4\nC\n YLO= Y1 ! Save Y-value at Hi position\n IF (YLO.GT.ZERO .AND. YHI.GT.ZERO) THEN\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y3 = FUNCK2 (ZERO)\n GOTO 50\n ELSE IF (ABS(Y2) .LT. EPS) THEN ! X2 IS A SOLUTION\n GOTO 50\n ELSE\n CALL PUSHERR (0001, 'CALCK2') ! WARNING ERROR: NO SOLUTION\n GOTO 50\n ENDIF\nC\nC *** PERFORM BISECTION ***********************************************\nC\n20 DO 30 I=1,MAXIT\n X3 = 0.5*(X1+X2)\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y3 = FUNCK2 (X3)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y3) .LE. ZERO) THEN ! (Y1*Y3 .LE. ZERO)\n Y2 = Y3\n X2 = X3\n ELSE\n Y1 = Y3\n X1 = X3\n ENDIF\n IF (ABS(X2-X1) .LE. EPS*X1) GOTO 40\n30 CONTINUE\n CALL PUSHERR (0002, 'CALCK2') ! WARNING ERROR: NO CONVERGENCE\nC\nC *** CONVERGED ; RETURN **********************************************\nC\n40 X3 = 0.5*(X1+X2)\n Y3 = FUNCK2 (X3)\nC\n50 RETURN\nC\nC *** END OF SUBROUTINE CALCK2 ******************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE FUNCK2\nC *** CASE K2\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE SUPER RICH, FREE ACID (SO4RAT < 1.0)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : NAHSO4, KHSO4, CaSO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n DOUBLE PRECISION FUNCTION FUNCK2 (P1)\n INCLUDE 'isrpia.inc'\n DOUBLE PRECISION LAMDA, KAPA\n COMMON /CASEK/ CHI1,CHI2,CHI3,CHI4,LAMDA,KAPA,PSI1,PSI2,PSI3,\n & A1, A2, A3, A4\nC\nC *** SETUP PARAMETERS ************************************************\nC\n FRST = .TRUE.\n CALAIN = .TRUE.\nC\n LAMDA = MAX(W(2) - W(3) - W(1) - W(6) - W(7) - W(8), TINY) ! FREE H2SO4\n PSI3 = P1\n PSI1 = CHI1 ! ALL NH4HSO4 DELIQUESCED\n PSI4 = CHI4 ! ALL MgSO4 DELIQUESCED\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A2 = XK11 *(WATER/GAMA(12))**2.0\n A3 = XK18 *(WATER/GAMA(18))**2.0\n A4 = XK1 *WATER/GAMA(7)*(GAMA(8)/GAMA(7))**2.0\nC\n PSI2 = A2/A3*PSI3 ! PSI2\n PSI2 = MIN(MAX(PSI2, ZERO),CHI2)\nC\n BB = A4+LAMDA+PSI4 ! KAPA\n CC =-A4*(LAMDA + PSI3 + PSI2 + PSI1) + LAMDA*PSI4\n DD = MAX(BB*BB-4.D0*CC, ZERO)\n KAPA = 0.5D0*(-BB+SQRT(DD))\nC\nC *** SAVE CONCENTRATIONS IN MOLAL ARRAY ******************************\nC\n MOLAL (1) = MAX(LAMDA + KAPA, ZERO) ! HI\n MOLAL (2) = PSI2 ! NAI\n MOLAL (3) = PSI1 ! NH4I\n MOLAL (4) = ZERO\n MOLAL (5) = MAX(KAPA + PSI4, ZERO) ! SO4I\n MOLAL (6) = MAX(LAMDA+PSI1+PSI2+PSI3-KAPA,ZERO) ! HSO4I\n MOLAL (7) = ZERO\n MOLAL (8) = ZERO\n MOLAL (9) = PSI3 ! KI\n MOLAL (10)= PSI4\nC\n CNH4HS4 = ZERO\n CNAHSO4 = CHI2-PSI2\n CKHSO4 = CHI3-PSI3\n CCASO4 = W(6)\n CMGSO4 = ZERO\nC\n CALL CALCMR ! Water content\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nC\nC *** CALCULATE OBJECTIVE FUNCTION ************************************\nC\n20 FUNCK2 = MOLAL(9)*MOLAL(6)/A3 - ONE\nC\nC *** END OF FUNCTION FUNCK2 *******************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCK1\nC *** CASE K1\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE SUPER RICH, FREE ACID (SO4RAT < 1.0)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : NH4HSO4, NAHSO4, KHSO4, CASO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCK1\n INCLUDE 'isrpia.inc'\nC\n DOUBLE PRECISION LAMDA, KAPA\n COMMON /CASEK/ CHI1,CHI2,CHI3,CHI4,LAMDA,KAPA,PSI1,PSI2,PSI3,\n & A1, A2, A3, A4\nC\nC *** SETUP PARAMETERS ************************************************\nC\n\n CALAOU =.TRUE. ! Outer loop activity calculation flag\n CHI1 = W(3) ! Total NH4 initially as NH4HSO4\n CHI2 = W(1) ! Total NA initially as NaHSO4\n CHI3 = W(7) ! Total K initially as KHSO4\n CHI4 = W(8) ! Total Mg initially as MGSO4\nC\n PSI3LO = TINY ! Low limit\n PSI3HI = CHI3 ! High limit\nC\nC *** INITIAL VALUES FOR BISECTION ************************************\nC\n X1 = PSI3HI\n Y1 = FUNCK1 (X1)\n YHI= Y1 ! Save Y-value at HI position\nC\nC *** YHI < 0.0 THE SOLUTION IS ALWAYS UNDERSATURATED WITH KHSO4 ****\nC\n IF (ABS(Y1).LE.EPS .OR. YHI.LT.ZERO) GOTO 50\nC\nC *** ROOT TRACKING ; FOR THE RANGE OF HI AND LO **********************\nC\n DX = (PSI3HI-PSI3LO)/FLOAT(NDIV)\n DO 10 I=1,NDIV\n X2 = X1-DX\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y2 = FUNCK1 (X2)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y2).LT.ZERO) GOTO 20 ! (Y1*Y2.LT.ZERO)\n X1 = X2\n Y1 = Y2\n10 CONTINUE\nC\nC *** { YLO, YHI } > 0.0 THE SOLUTION IS ALWAYS SUPERSATURATED WITH KHSO4\nC\n YLO= Y1 ! Save Y-value at Hi position\n IF (YLO.GT.ZERO .AND. YHI.GT.ZERO) THEN\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y3 = FUNCK1 (ZERO)\n GOTO 50\n ELSE IF (ABS(Y2) .LT. EPS) THEN ! X2 IS A SOLUTION\n GOTO 50\n ELSE\n CALL PUSHERR (0001, 'CALCK1') ! WARNING ERROR: NO SOLUTION\n GOTO 50\n ENDIF\nC\nC *** PERFORM BISECTION ***********************************************\nC\n20 DO 30 I=1,MAXIT\n X3 = 0.5*(X1+X2)\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y3 = FUNCK1 (X3)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y3) .LE. ZERO) THEN ! (Y1*Y3 .LE. ZERO)\n Y2 = Y3\n X2 = X3\n ELSE\n Y1 = Y3\n X1 = X3\n ENDIF\n IF (ABS(X2-X1) .LE. EPS*X1) GOTO 40\n30 CONTINUE\n CALL PUSHERR (0002, 'CALCK1') ! WARNING ERROR: NO CONVERGENCE\nC\nC *** CONVERGED ; RETURN **********************************************\nC\n40 X3 = 0.5*(X1+X2)\n CALL RSTGAMP ! reinitialize activity coefficients (slc.1.2012)\n Y3 = FUNCK1 (X3)\nC\n50 RETURN\nC\nC *** END OF SUBROUTINE CALCK1 ******************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE FUNCK1\nC *** CASE K1\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE super RICH, FREE ACID (SO4RAT < 1.0)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : NH4HSO4, NAHSO4, KHSO4, CASO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n DOUBLE PRECISION FUNCTION FUNCK1 (P1)\n INCLUDE 'isrpia.inc'\n DOUBLE PRECISION LAMDA, KAPA\n COMMON /CASEK/ CHI1,CHI2,CHI3,CHI4,LAMDA,KAPA,PSI1,PSI2,PSI3,\n & A1, A2, A3, A4\nC\nC *** SETUP PARAMETERS ************************************************\nC\n FRST = .TRUE.\n CALAIN = .TRUE.\nC\n LAMDA = MAX(W(2) - W(3) - W(1) - W(6) - W(7) - W(8), TINY) ! FREE H2SO4\n PSI3 = P1\n PSI4 = CHI4 ! ALL MgSO4 DELIQUESCED\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A1 = XK12 *(WATER/GAMA(09))**2.0\n A2 = XK11 *(WATER/GAMA(12))**2.0\n A3 = XK18 *(WATER/GAMA(18))**2.0\n A4 = XK1 *WATER/GAMA(7)*(GAMA(8)/GAMA(7))**2.0\nC\n PSI1 = A1/A3*PSI3 ! PSI1\n PSI1 = MIN(MAX(PSI1, ZERO),CHI1)\nC\n PSI2 = A2/A3*PSI3 ! PSI2\n PSI2 = MIN(MAX(PSI2, ZERO),CHI2)\nC\n BB = A4+LAMDA+PSI4 ! KAPA\n CC =-A4*(LAMDA + PSI3 + PSI2 + PSI1) + LAMDA*PSI4\n DD = MAX(BB*BB-4.D0*CC, ZERO)\n KAPA = 0.5D0*(-BB+SQRT(DD))\nC\nC *** SAVE CONCENTRATIONS IN MOLAL ARRAY ******************************\nC\n MOLAL (1) = MAX(LAMDA + KAPA, ZERO) ! HI\n MOLAL (2) = PSI2 ! NAI\n MOLAL (3) = PSI1 ! NH4I\n MOLAL (4) = ZERO ! CLI\n MOLAL (5) = MAX(KAPA + PSI4, ZERO) ! SO4I\n MOLAL (6) = MAX(LAMDA+PSI1+PSI2+PSI3-KAPA,ZERO) ! HSO4I\n MOLAL (7) = ZERO ! NO3I\n MOLAL (8) = ZERO ! CAI\n MOLAL (9) = PSI3 ! KI\n MOLAL (10)= PSI4 ! MGI\nC\n CNH4HS4 = CHI1-PSI1\n CNAHSO4 = CHI2-PSI2\n CKHSO4 = CHI3-PSI3\n CCASO4 = W(6)\n CMGSO4 = ZERO\nC\n CALL CALCMR ! Water content\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n\n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nC\nC *** CALCULATE OBJECTIVE FUNCTION ************************************\nC\n20 FUNCK1 = MOLAL(9)*MOLAL(6)/A3 - ONE\nC\nC *** END OF FUNCTION FUNCK1 ****************************************\nC\n END\n\n" }, { "path": "CCTM/src/aero/aero6/isorev.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE ISRP1R\nC *** THIS SUBROUTINE IS THE DRIVER ROUTINE FOR THE REVERSE PROBLEM OF \nC AN AMMONIUM-SULFATE AEROSOL SYSTEM. \nC THE COMPOSITION REGIME IS DETERMINED BY THE SULFATE RATIO AND BY \nC THE AMBIENT RELATIVE HUMIDITY.\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE ISRP1R (WI, RHI, TEMPI)\n INCLUDE 'isrpia.inc'\n DIMENSION WI(NCOMP)\nC\nC *** INITIALIZE COMMON BLOCK VARIABLES *********************************\nC\n CALL INIT1 (WI, RHI, TEMPI)\nC\nC *** CALCULATE SULFATE RATIO *******************************************\nC\n IF (RH.GE.DRNH42S4) THEN ! WET AEROSOL, NEED NH4 AT SRATIO=2.0\n SULRATW = GETASR(WAER(2), RHI) ! AEROSOL SULFATE RATIO\n ELSE\n SULRATW = 2.0D0 ! DRY AEROSOL SULFATE RATIO\n ENDIF\n SULRAT = WAER(3)/WAER(2) ! SULFATE RATIO\nC\nC *** FIND CALCULATION REGIME FROM (SULRAT,RH) **************************\nC\nC *** SULFATE POOR \nC\n IF (SULRATW.LE.SULRAT) THEN\nC\n IF(METSTBL.EQ.1) THEN\n SCASE = 'S2'\n CALL CALCS2 ! Only liquid (metastable)\n ELSE\nC\n IF (RH.LT.DRNH42S4) THEN \n SCASE = 'S1'\n CALL CALCS1 ! NH42SO4 ; case K1\nC\n ELSEIF (DRNH42S4.LE.RH) THEN\n SCASE = 'S2'\n CALL CALCS2 ! Only liquid ; case K2\n ENDIF\n ENDIF\nC\nC *** SULFATE RICH (NO ACID)\nC\n ELSEIF (1.0.LE.SULRAT .AND. SULRAT.LT.SULRATW) THEN\n W(2) = WAER(2)\n W(3) = WAER(3)\nC\n IF(METSTBL.EQ.1) THEN\n SCASE = 'B4'\n CALL CALCB4 ! Only liquid (metastable)\n SCASE = 'B4'\n ELSE\nC\n IF (RH.LT.DRNH4HS4) THEN \n SCASE = 'B1'\n CALL CALCB1 ! NH4HSO4,LC,NH42SO4 ; case B1\n SCASE = 'B1'\nC\n ELSEIF (DRNH4HS4.LE.RH .AND. RH.LT.DRLC) THEN \n SCASE = 'B2'\n CALL CALCB2 ! LC,NH42S4 ; case B2\n SCASE = 'B2'\nC\n ELSEIF (DRLC.LE.RH .AND. RH.LT.DRNH42S4) THEN \n SCASE = 'B3'\n CALL CALCB3 ! NH42S4 ; case B3\n SCASE = 'B3'\nC\n ELSEIF (DRNH42S4.LE.RH) THEN \n SCASE = 'B4'\n CALL CALCB4 ! Only liquid ; case B4\n SCASE = 'B4'\n ENDIF\n ENDIF\nC\n CALL CALCNH3P ! Compute NH3(g)\nC\nC *** SULFATE RICH (FREE ACID)\nC\n ELSEIF (SULRAT.LT.1.0) THEN \n W(2) = WAER(2)\n W(3) = WAER(3)\nC\n IF(METSTBL.EQ.1) THEN\n SCASE = 'C2'\n CALL CALCC2 ! Only liquid (metastable)\n SCASE = 'C2'\n ELSE\nC\n IF (RH.LT.DRNH4HS4) THEN \n SCASE = 'C1'\n CALL CALCC1 ! NH4HSO4 ; case C1\n SCASE = 'C1'\nC\n ELSEIF (DRNH4HS4.LE.RH) THEN \n SCASE = 'C2'\n CALL CALCC2 ! Only liquid ; case C2\n SCASE = 'C2'\n ENDIF\n ENDIF\nC \n CALL CALCNH3P\nC\n ENDIF\n RETURN\nC\nC *** END OF SUBROUTINE ISRP1R *****************************************\nC\n END\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE ISRP2R\nC *** THIS SUBROUTINE IS THE DRIVER ROUTINE FOR THE REVERSE PROBLEM OF \nC AN AMMONIUM-SULFATE-NITRATE AEROSOL SYSTEM. \nC THE COMPOSITION REGIME IS DETERMINED BY THE SULFATE RATIO AND BY\nC THE AMBIENT RELATIVE HUMIDITY.\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE ISRP2R (WI, RHI, TEMPI)\n INCLUDE 'isrpia.inc'\n DIMENSION WI(NCOMP)\n LOGICAL TRYLIQ\nC\nC *** INITIALIZE ALL VARIABLES IN COMMON BLOCK **************************\nC\n TRYLIQ = .TRUE. ! Assume liquid phase, sulfate poor limit \nC\n10 CALL INIT2 (WI, RHI, TEMPI)\nC\nC *** CALCULATE SULFATE RATIO *******************************************\nC\n IF (TRYLIQ .AND. RH.GE.DRNH4NO3) THEN ! *** WET AEROSOL\n SULRATW = GETASR(WAER(2), RHI) ! LIMITING SULFATE RATIO\n ELSE\n SULRATW = 2.0D0 ! *** DRY AEROSOL\n ENDIF\n SULRAT = WAER(3)/WAER(2)\nC\nC *** FIND CALCULATION REGIME FROM (SULRAT,RH) **************************\nC\nC *** SULFATE POOR \nC\n IF (SULRATW.LE.SULRAT) THEN \nC\n IF(METSTBL.EQ.1) THEN\n SCASE = 'N3'\n CALL CALCN3 ! Only liquid (metastable)\n ELSE\nC\n IF (RH.LT.DRNH4NO3) THEN \n SCASE = 'N1'\n CALL CALCN1 ! NH42SO4,NH4NO3 ; case N1\nC\n ELSEIF (DRNH4NO3.LE.RH .AND. RH.LT.DRNH42S4) THEN \n SCASE = 'N2'\n CALL CALCN2 ! NH42S4 ; case N2\nC\n ELSEIF (DRNH42S4.LE.RH) THEN\n SCASE = 'N3'\n CALL CALCN3 ! Only liquid ; case N3\n ENDIF\n ENDIF\nC\nC *** SULFATE RICH (NO ACID)\nC\nC FOR SOLVING THIS CASE, NITRIC ACID AND AMMONIA IN THE GAS PHASE ARE\nC ASSUMED A MINOR SPECIES, THAT DO NOT SIGNIFICANTLY AFFECT THE \nC AEROSOL EQUILIBRIUM.\nC\n ELSEIF (1.0.LE.SULRAT .AND. SULRAT.LT.SULRATW) THEN \n W(2) = WAER(2)\n W(3) = WAER(3)\n W(4) = WAER(4)\nC\n IF(METSTBL.EQ.1) THEN\n SCASE = 'B4'\n CALL CALCB4 ! Only liquid (metastable)\n SCASE = 'B4'\n ELSE\nC\n IF (RH.LT.DRNH4HS4) THEN \n SCASE = 'B1'\n CALL CALCB1 ! NH4HSO4,LC,NH42SO4 ; case O1\n SCASE = 'B1'\nC\n ELSEIF (DRNH4HS4.LE.RH .AND. RH.LT.DRLC) THEN \n SCASE = 'B2'\n CALL CALCB2 ! LC,NH42S4 ; case O2\n SCASE = 'B2'\nC\n ELSEIF (DRLC.LE.RH .AND. RH.LT.DRNH42S4) THEN \n SCASE = 'B3'\n CALL CALCB3 ! NH42S4 ; case O3\n SCASE = 'B3'\nC\n ELSEIF (DRNH42S4.LE.RH) THEN \n SCASE = 'B4'\n CALL CALCB4 ! Only liquid ; case O4\n SCASE = 'B4'\n ENDIF\n ENDIF\nC\nC *** Add the NO3 to the solution now and calculate partitioning.\nC\n MOLAL(7) = WAER(4) ! There is always water, so NO3(aer) is NO3-\n MOLAL(1) = MOLAL(1) + WAER(4) ! Add H+ to balance out\n CALL CALCNAP ! HNO3, NH3 dissolved\n CALL CALCNH3P\nC\nC *** SULFATE RICH (FREE ACID)\nC\nC FOR SOLVING THIS CASE, NITRIC ACID AND AMMONIA IN THE GAS PHASE ARE\nC ASSUMED A MINOR SPECIES, THAT DO NOT SIGNIFICANTLY AFFECT THE \nC AEROSOL EQUILIBRIUM.\nC\n ELSEIF (SULRAT.LT.1.0) THEN \n W(2) = WAER(2)\n W(3) = WAER(3)\n W(4) = WAER(4)\nC\n IF(METSTBL.EQ.1) THEN\n SCASE = 'C2'\n CALL CALCC2 ! Only liquid (metastable)\n SCASE = 'C2'\n ELSE\nC\n IF (RH.LT.DRNH4HS4) THEN \n SCASE = 'C1'\n CALL CALCC1 ! NH4HSO4 ; case P1\n SCASE = 'C1'\nC\n ELSEIF (DRNH4HS4.LE.RH) THEN \n SCASE = 'C2'\n CALL CALCC2 ! Only liquid ; case P2\n SCASE = 'C2'\n ENDIF\n ENDIF\nC\nC *** Add the NO3 to the solution now and calculate partitioning.\nC\n MOLAL(7) = WAER(4) ! There is always water, so NO3(aer) is NO3-\n MOLAL(1) = MOLAL(1) + WAER(4) ! Add H+ to balance out\nC\n CALL CALCNAP ! HNO3, NH3 dissolved\n CALL CALCNH3P\n ENDIF\nC\nC *** IF SULRATW < SULRAT < 2.0 and WATER = 0 => SULFATE RICH CASE.\nC\n IF (SULRATW.LE.SULRAT .AND. SULRAT.LT.2.0 \n & .AND. WATER.LE.TINY) THEN\n TRYLIQ = .FALSE.\n GOTO 10\n ENDIF\nC\n RETURN\nC\nC *** END OF SUBROUTINE ISRP2R *****************************************\nC\n END\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE ISRP3R\nC *** THIS SUBROUTINE IS THE DRIVER ROUTINE FOR THE REVERSE PROBLEM OF\nC AN AMMONIUM-SULFATE-NITRATE-CHLORIDE-SODIUM AEROSOL SYSTEM. \nC THE COMPOSITION REGIME IS DETERMINED BY THE SULFATE & SODIUM \nC RATIOS AND BY THE AMBIENT RELATIVE HUMIDITY.\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE ISRP3R (WI, RHI, TEMPI)\n INCLUDE 'isrpia.inc'\n DIMENSION WI(NCOMP)\n LOGICAL TRYLIQ\nccC\nccC *** ADJUST FOR TOO LITTLE AMMONIUM AND CHLORIDE ***********************\nccC\ncc WI(3) = MAX (WI(3), 1.D-10) ! NH4+ : 1e-4 umoles/m3\ncc WI(5) = MAX (WI(5), 1.D-10) ! Cl- : 1e-4 umoles/m3\nC\nC *** INITIALIZE ALL VARIABLES ******************************************\nC\n TRYLIQ = .TRUE. ! Use liquid phase sulfate poor limit \nC\n10 CALL ISOINIT3 (WI, RHI, TEMPI) ! COMMON block variables\nccC\nccC *** CHECK IF TOO MUCH SODIUM ; ADJUST AND ISSUE ERROR MESSAGE *********\nccC\ncc REST = 2.D0*WAER(2) + WAER(4) + WAER(5) \ncc IF (WAER(1).GT.REST) THEN ! NA > 2*SO4+CL+NO3 ?\ncc WAER(1) = (ONE-1D-6)*REST ! Adjust Na amount\ncc CALL PUSHERR (0050, 'ISRP3R') ! Warning error: Na adjusted\ncc ENDIF\nC\nC *** CALCULATE SULFATE & SODIUM RATIOS *********************************\nC\n IF (TRYLIQ .AND. RH.GE.DRNH4NO3) THEN ! ** WET AEROSOL\n FRSO4 = WAER(2) - WAER(1)/2.0D0 ! SULFATE UNBOUND BY SODIUM\n FRSO4 = MAX(FRSO4, TINY)\n SRI = GETASR(FRSO4, RHI) ! SULFATE RATIO FOR NH4+\n SULRATW = (WAER(1)+FRSO4*SRI)/WAER(2) ! LIMITING SULFATE RATIO\n SULRATW = MIN (SULRATW, 2.0D0)\n ELSE\n SULRATW = 2.0D0 ! ** DRY AEROSOL\n ENDIF\n SULRAT = (WAER(1)+WAER(3))/WAER(2)\n SODRAT = WAER(1)/WAER(2)\nC\nC *** FIND CALCULATION REGIME FROM (SULRAT,RH) **************************\nC\nC *** SULFATE POOR ; SODIUM POOR\nC\n IF (SULRATW.LE.SULRAT .AND. SODRAT.LT.2.0) THEN \nC\n IF(METSTBL.EQ.1) THEN\n SCASE = 'Q5'\n CALL CALCQ5 ! Only liquid (metastable)\n SCASE = 'Q5'\n ELSE\nC\n IF (RH.LT.DRNH4NO3) THEN \n SCASE = 'Q1'\n CALL CALCQ1 ! NH42SO4,NH4NO3,NH4CL,NA2SO4\nC\n ELSEIF (DRNH4NO3.LE.RH .AND. RH.LT.DRNH4CL) THEN \n SCASE = 'Q2'\n CALL CALCQ2 ! NH42SO4,NH4CL,NA2SO4\nC\n ELSEIF (DRNH4CL.LE.RH .AND. RH.LT.DRNH42S4) THEN \n SCASE = 'Q3'\n CALL CALCQ3 ! NH42SO4,NA2SO4\nC \n ELSEIF (DRNH42S4.LE.RH .AND. RH.LT.DRNA2SO4) THEN \n SCASE = 'Q4'\n CALL CALCQ4 ! NA2SO4\n SCASE = 'Q4'\nC\n ELSEIF (DRNA2SO4.LE.RH) THEN \n SCASE = 'Q5'\n CALL CALCQ5 ! Only liquid\n SCASE = 'Q5'\n ENDIF\n ENDIF\nC\nC *** SULFATE POOR ; SODIUM RICH\nC\n ELSE IF (SULRAT.GE.SULRATW .AND. SODRAT.GE.2.0) THEN \nC\n IF(METSTBL.EQ.1) THEN\n SCASE = 'R6'\n CALL CALCR6 ! Only liquid (metastable)\n SCASE = 'R6'\n ELSE\nC\n IF (RH.LT.DRNH4NO3) THEN \n SCASE = 'R1'\n CALL CALCR1 ! NH4NO3,NH4CL,NA2SO4,NACL,NANO3\nC\n ELSEIF (DRNH4NO3.LE.RH .AND. RH.LT.DRNANO3) THEN \n SCASE = 'R2'\n CALL CALCR2 ! NH4CL,NA2SO4,NACL,NANO3\nC\n ELSEIF (DRNANO3.LE.RH .AND. RH.LT.DRNACL) THEN \n SCASE = 'R3'\n CALL CALCR3 ! NH4CL,NA2SO4,NACL\nC\n ELSEIF (DRNACL.LE.RH .AND. RH.LT.DRNH4CL) THEN \n SCASE = 'R4'\n CALL CALCR4 ! NH4CL,NA2SO4\nC\n ELSEIF (DRNH4CL.LE.RH .AND. RH.LT.DRNA2SO4) THEN \n SCASE = 'R5'\n CALL CALCR5 ! NA2SO4\n SCASE = 'R5'\nC\n ELSEIF (DRNA2SO4.LE.RH) THEN \n SCASE = 'R6'\n CALL CALCR6 ! NO SOLID\n SCASE = 'R6'\n ENDIF\n ENDIF\nC\nC *** SULFATE RICH (NO ACID) \nC\n ELSEIF (1.0.LE.SULRAT .AND. SULRAT.LT.SULRATW) THEN \n DO 100 I=1,NCOMP\n W(I) = WAER(I)\n100 CONTINUE\nC\n IF(METSTBL.EQ.1) THEN\n SCASE = 'I6'\n CALL CALCI6 ! Only liquid (metastable)\n SCASE = 'I6'\n ELSE\nC\n IF (RH.LT.DRNH4HS4) THEN \n SCASE = 'I1'\n CALL CALCI1 ! NA2SO4,(NH4)2SO4,NAHSO4,NH4HSO4,LC\n SCASE = 'I1'\nC\n ELSEIF (DRNH4HS4.LE.RH .AND. RH.LT.DRNAHSO4) THEN \n SCASE = 'I2'\n CALL CALCI2 ! NA2SO4,(NH4)2SO4,NAHSO4,LC\n SCASE = 'I2'\nC\n ELSEIF (DRNAHSO4.LE.RH .AND. RH.LT.DRLC) THEN \n SCASE = 'I3'\n CALL CALCI3 ! NA2SO4,(NH4)2SO4,LC\n SCASE = 'I3'\nC\n ELSEIF (DRLC.LE.RH .AND. RH.LT.DRNH42S4) THEN \n SCASE = 'I4'\n CALL CALCI4 ! NA2SO4,(NH4)2SO4\n SCASE = 'I4'\nC\n ELSEIF (DRNH42S4.LE.RH .AND. RH.LT.DRNA2SO4) THEN \n SCASE = 'I5'\n CALL CALCI5 ! NA2SO4\n SCASE = 'I5'\nC\n ELSEIF (DRNA2SO4.LE.RH) THEN \n SCASE = 'I6'\n CALL CALCI6 ! NO SOLIDS\n SCASE = 'I6'\n ENDIF\n ENDIF\nC\n CALL CALCNHP ! HNO3, NH3, HCL in gas phase\n CALL CALCNH3P\nC\nC *** SULFATE RICH (FREE ACID)\nC\n ELSEIF (SULRAT.LT.1.0) THEN \n DO 200 I=1,NCOMP\n W(I) = WAER(I)\n200 CONTINUE\nC\n IF(METSTBL.EQ.1) THEN\n SCASE = 'J3'\n CALL CALCJ3 ! Only liquid (metastable)\n SCASE = 'J3'\n ELSE\nC\n IF (RH.LT.DRNH4HS4) THEN \n SCASE = 'J1'\n CALL CALCJ1 ! NH4HSO4,NAHSO4\n SCASE = 'J1'\nC\n ELSEIF (DRNH4HS4.LE.RH .AND. RH.LT.DRNAHSO4) THEN \n SCASE = 'J2'\n CALL CALCJ2 ! NAHSO4\n SCASE = 'J2'\nC\n ELSEIF (DRNAHSO4.LE.RH) THEN \n SCASE = 'J3'\n CALL CALCJ3 \n SCASE = 'J3'\n ENDIF\n ENDIF\nC\n CALL CALCNHP ! HNO3, NH3, HCL in gas phase\n CALL CALCNH3P\nC\n ENDIF\nC\nC *** IF AFTER CALCULATIONS, SULRATW < SULRAT < 2.0 \nC and WATER = 0 => SULFATE RICH CASE.\nC\n IF (SULRATW.LE.SULRAT .AND. SULRAT.LT.2.0 \n & .AND. WATER.LE.TINY) THEN\n TRYLIQ = .FALSE.\n GOTO 10\n ENDIF\nC\n RETURN\nC\nC *** END OF SUBROUTINE ISRP3R *****************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE ISRP4R\nC *** THIS SUBROUTINE IS THE DRIVER ROUTINE FOR THE REVERSE PROBLEM OF\nC AN AMMONIUM-SULFATE-NITRATE-CHLORIDE-SODIUM-CALCIUM-POTTASIUM-MAGNESIUM AEROSOL SYSTEM.\nC THE COMPOSITION REGIME IS DETERMINED BY THE SULFATE & SODIUM\nC RATIOS AND BY THE AMBIENT RELATIVE HUMIDITY.\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE ISRP4R (WI, RHI, TEMPI)\n INCLUDE 'isrpia.inc'\n DIMENSION WI(NCOMP)\n LOGICAL TRYLIQ\nccC\nccC *** ADJUST FOR TOO LITTLE AMMONIUM AND CHLORIDE ***********************\nccC\ncc WI(3) = MAX (WI(3), 1.D-10) ! NH4+ : 1e-4 umoles/m3\ncc WI(5) = MAX (WI(5), 1.D-10) ! Cl- : 1e-4 umoles/m3\nC\nC *** INITIALIZE ALL VARIABLES ******************************************\nC\n TRYLIQ = .TRUE. ! Use liquid phase sulfate poor limit\n IPROB = 1 ! SOLVE REVERSE PROBLEM\nC METSTBL = 1\nC\n10 CALL INIT4 (WI, RHI, TEMPI) ! COMMON block variables\nccC\nccC *** CHECK IF TOO MUCH SODIUM ; ADJUST AND ISSUE ERROR MESSAGE *********\nccC\ncc REST = 2.D0*WAER(2) + WAER(4) + WAER(5)\ncc IF (WAER(1).GT.REST) THEN ! NA > 2*SO4+CL+NO3 ?\ncc WAER(1) = (ONE-1D-6)*REST ! Adjust Na amount\ncc CALL PUSHERR (0050, 'ISRP3R') ! Warning error: Na adjusted\ncc ENDIF\nC\nC *** CALCULATE SULFATE, CRUSTAL & SODIUM RATIOS ***********************\nC\n IF (TRYLIQ) THEN ! ** WET AEROSOL\n FRSO4 = WAER(2) - WAER(1)/2.0D0\n & - WAER(6) - WAER(7)/2.0D0 - WAER(8) ! SULFATE UNBOUND BY SODIUM,CALCIUM,POTTASIUM,MAGNESIUM\n FRSO4 = MAX(FRSO4, TINY)\n SRI = GETASR(FRSO4, RHI) ! SULFATE RATIO FOR NH4+\n SULRATW = (WAER(1)+FRSO4*SRI+WAER(6)\n & +WAER(7)+WAER(8))/WAER(2) ! LIMITING SULFATE RATIO\n SULRATW = MIN (SULRATW, 2.0D0)\n ELSE\n SULRATW = 2.0D0 ! ** DRY AEROSOL\n ENDIF\n SO4RAT = (WAER(1)+WAER(3)+WAER(6)+WAER(7)+WAER(8))/WAER(2)\n CRNARAT = (WAER(1)+WAER(6)+WAER(7)+WAER(8))/WAER(2)\n CRRAT = (WAER(6)+WAER(7)+WAER(8))/WAER(2)\nC\nC *** FIND CALCULATION REGIME FROM (SULRAT,RH) **************************\nC\nC *** SULFATE POOR ; SODIUM+CRUSTALS POOR\nC\n IF (SULRATW.LE.SO4RAT .AND. CRNARAT.LT.2.0) THEN\nC\n IF(METSTBL.EQ.1) THEN\n SCASE = 'V7'\n CALL CALCV7 ! Only liquid (metastable)\n ELSE\nC\n IF (RH.LT.DRNH4NO3) THEN\n SCASE = 'V1'\n CALL CALCV1 ! CaSO4, NH4NO3, NH4CL, (NH4)2SO4, MGSO4, NA2SO4, K2SO4\nC\n ELSEIF (DRNH4NO3.LE.RH .AND. RH.LT.DRNH4CL) THEN\n SCASE = 'V2'\n CALL CALCV2 ! CaSO4, NH4CL, (NH4)2SO4, MGSO4, NA2SO4, K2SO4\nC\n ELSEIF (DRNH4CL.LE.RH .AND. RH.LT.DRNH42S4) THEN\n SCASE = 'V3'\n CALL CALCV3 ! CaSO4, (NH4)2SO4, MGSO4, NA2SO4, K2SO4\nC\n ELSEIF (DRNH42S4.LE.RH .AND. RH.LT.DRMGSO4) THEN\n SCASE = 'V4'\n CALL CALCV4 ! CaSO4, MGSO4, NA2SO4, K2SO4\nC\n ELSEIF (DRMGSO4.LE.RH .AND. RH.LT.DRNA2SO4) THEN\n SCASE = 'V5'\n CALL CALCV5 ! CaSO4, NA2SO4, K2SO4\nC\n ELSEIF (DRNA2SO4.LE.RH .AND. RH.LT.DRK2SO4) THEN\n SCASE = 'V6'\n CALL CALCV6 ! CaSO4, K2SO4\nC\n ELSEIF (DRK2SO4.LE.RH) THEN\n SCASE = 'V7'\n CALL CALCV7 ! CaSO4\n ENDIF\n ENDIF\nC\nC *** SULFATE POOR: Rso4>2; (DUST + SODIUM) RICH: R(Cr+Na)>2; DUST POOR: Rcr<2.\nC\n ELSEIF (SO4RAT.GE.SULRATW .AND. CRNARAT.GE.2.0) THEN\nC\n IF (CRRAT.LE.2.0) THEN\nC\n IF(METSTBL.EQ.1) THEN\n SCASE = 'U8'\n CALL CALCU8 ! Only liquid (metastable)\n ELSE\nC\n IF (RH.LT.DRNH4NO3) THEN\n SCASE = 'U1'\n CALL CALCU1 ! CaSO4, NH4NO3, NH4CL, MGSO4, NA2SO4, K2SO4, NACL, NANO3\nC\n ELSEIF (DRNH4NO3.LE.RH .AND. RH.LT.DRNANO3) THEN\n SCASE = 'U2'\n CALL CALCU2 ! CaSO4, NH4CL, MGSO4, NA2SO4, K2SO4, NACL, NANO3\nC\n ELSEIF (DRNANO3.LE.RH .AND. RH.LT.DRNACL) THEN\n SCASE = 'U3'\n CALL CALCU3 ! CaSO4, NH4CL, MGSO4, NA2SO4, K2SO4, NACL\nC\n ELSEIF (DRNACL.LE.RH .AND. RH.LT.DRNH4Cl) THEN\n SCASE = 'U4'\n CALL CALCU4 ! CaSO4, NH4CL, MGSO4, NA2SO4, K2SO4\nC\n ELSEIF (DRNH4Cl.LE.RH .AND. RH.LT.DRMGSO4) THEN\n SCASE = 'U5'\n CALL CALCU5 ! CaSO4, MGSO4, NA2SO4, K2SO4\nC\n ELSEIF (DRMGSO4.LE.RH .AND. RH.LT.DRNA2SO4) THEN\n SCASE = 'U6'\n CALL CALCU6 ! CaSO4, NA2SO4, K2SO4\nC\n ELSEIF (DRNA2SO4.LE.RH .AND. RH.LT.DRK2SO4) THEN\n SCASE = 'U7'\n CALL CALCU7 ! CaSO4, K2SO4\nC\n ELSEIF (DRK2SO4.LE.RH) THEN\n SCASE = 'U8'\n CALL CALCU8 ! CaSO4\n ENDIF\n ENDIF\nC\nC *** SULFATE POOR: Rso4>2; (DUST + SODIUM) RICH: R(Cr+Na)>2; DUST POOR: Rcr<2.\nC\n ELSEIF (CRRAT.GT.2.0) THEN\nC\n IF(METSTBL.EQ.1) THEN\n SCASE = 'W13'\n CALL CALCW13 ! Only liquid (metastable)\n ELSE\nC\n IF (RH.LT.DRCACL2) THEN\n SCASE = 'W1'\n CALL CALCW1 ! CaSO4, CA(NO3)2, CACL2, K2SO4, KNO3, KCL, MGSO4,\nC ! MG(NO3)2, MGCL2, NANO3, NACL, NH4NO3, NH4CL\nC\n ELSEIF (DRCACL2.LE.RH .AND. RH.LT.DRMGCL2) THEN\n SCASE = 'W2'\n CALL CALCW2 ! CaSO4, CA(NO3)2, K2SO4, KNO3, KCL, MGSO4,\nC ! MG(NO3)2, MGCL2, NANO3, NACL, NH4NO3, NH4CL\nC\n ELSEIF (DRMGCL2.LE.RH .AND. RH.LT.DRCANO32) THEN\n SCASE = 'W3'\n CALL CALCW3 ! CaSO4, CA(NO3)2, K2SO4, KNO3, KCL, MGSO4,\nC ! MG(NO3)2, NANO3, NACL, NH4NO3, NH4CL\nC\n ELSEIF (DRCANO32.LE.RH .AND. RH.LT.DRMGNO32) THEN\n SCASE = 'W4'\n CALL CALCW4 ! CaSO4, K2SO4, KNO3, KCL, MGSO4,\nC ! MG(NO3)2, NANO3, NACL, NH4NO3, NH4CL\nC\n ELSEIF (DRMGNO32.LE.RH .AND. RH.LT.DRNH4NO3) THEN\n SCASE = 'W5'\n CALL CALCW5 ! CaSO4, K2SO4, KNO3, KCL, MGSO4,\nC ! NANO3, NACL, NH4NO3, NH4CL\nC\n ELSEIF (DRNH4NO3.LE.RH .AND. RH.LT.DRNANO3) THEN\n SCASE = 'W6'\n CALL CALCW6 ! CaSO4, K2SO4, KNO3, KCL, MGSO4, NANO3, NACL, NH4CL\nC\n ELSEIF (DRNANO3.LE.RH .AND. RH.LT.DRNACL) THEN\n SCASE = 'W7'\n CALL CALCW7 ! CaSO4, K2SO4, KNO3, KCL, MGSO4, NACL, NH4CL\nC\n ELSEIF (DRNACL.LE.RH .AND. RH.LT.DRNH4CL) THEN\n SCASE = 'W8'\n CALL CALCW8 ! CaSO4, K2SO4, KNO3, KCL, MGSO4, NH4CL\nC\n ELSEIF (DRNH4CL.LE.RH .AND. RH.LT.DRKCL) THEN\n SCASE = 'W9'\n CALL CALCW9 ! CaSO4, K2SO4, KNO3, KCL, MGSO4\nC\n ELSEIF (DRKCL.LE.RH .AND. RH.LT.DRMGSO4) THEN\n SCASE = 'W10'\n CALL CALCW10 ! CaSO4, K2SO4, KNO3, MGSO4\nC\n ELSEIF (DRMGSO4.LE.RH .AND. RH.LT.DRKNO3) THEN\n SCASE = 'W11'\n CALL CALCW11 ! CaSO4, K2SO4, KNO3\nC\n ELSEIF (DRKNO3.LE.RH .AND. RH.LT.DRK2SO4) THEN\n SCASE = 'W12'\n CALL CALCW12 ! CaSO4, K2SO4\nC\n ELSEIF (DRK2SO4.LE.RH) THEN\n SCASE = 'W13'\n CALL CALCW13 ! CaSO4\n ENDIF\n ENDIF\nC CALL CALCNH3\n ENDIF\nC\nC *** SULFATE RICH (NO ACID): 1 SULFATE RICH CASE.\nC\n IF (SULRATW.LE.SO4RAT .AND. SO4RAT.LT.2.0\n & .AND. WATER.LE.TINY) THEN\n TRYLIQ = .FALSE.\n GOTO 10\n ENDIF\nC\n RETURN\nC\nC *** END OF SUBROUTINE ISRP4R *****************************************\nC\n END\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCS2\nC *** CASE S2\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0)\nC 2. LIQUID AEROSOL PHASE ONLY POSSIBLE\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCS2\n INCLUDE 'isrpia.inc'\n DOUBLE PRECISION NH4I, NH3GI, NH3AQ\nC\nC *** SETUP PARAMETERS ************************************************\nC\n CALAOU =.TRUE. ! Outer loop activity calculation flag\n FRST =.TRUE.\n CALAIN =.TRUE.\nC\nC *** CALCULATE WATER CONTENT *****************************************\nC\n MOLALR(4)= MIN(WAER(2), 0.5d0*WAER(3))\n WATER = MOLALR(4)/M0(4) ! ZSR correlation\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nCC A21 = XK21*WATER*R*TEMP\n A2 = XK2 *R*TEMP/XKW/RH*(GAMA(8)/GAMA(9))**2.\n AKW = XKW *RH*WATER*WATER\nC\n NH4I = WAER(3)\n SO4I = WAER(2)\n HSO4I= ZERO\nC\n CALL CALCPH (2.D0*SO4I - NH4I, HI, OHI) ! Get pH\nC\n NH3AQ = ZERO ! AMMONIA EQUILIBRIUM\n IF (HI.LT.OHI) THEN\n CALL CALCAMAQ (NH4I, OHI, DEL)\n NH4I = MAX (NH4I-DEL, ZERO) \n OHI = MAX (OHI -DEL, TINY)\n NH3AQ = DEL\n HI = AKW/OHI\n ENDIF\nC\n CALL CALCHS4 (HI, SO4I, ZERO, DEL) ! SULFATE EQUILIBRIUM\n SO4I = SO4I - DEL\n HI = HI - DEL\n HSO4I = DEL\nC\n NH3GI = NH4I/HI/A2 ! NH3AQ/A21\nC\nC *** SPECIATION & WATER CONTENT ***************************************\nC\n MOLAL(1) = HI\n MOLAL(3) = NH4I\n MOLAL(5) = SO4I\n MOLAL(6) = HSO4I\n COH = OHI\n GASAQ(1) = NH3AQ\n GNH3 = NH3GI\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT \n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nC\n20 RETURN\nC\nC *** END OF SUBROUTINE CALCS2 ****************************************\nC\n END\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCS1\nC *** CASE S1\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0)\nC 2. SOLID AEROSOL ONLY\nC 3. SOLIDS POSSIBLE : (NH4)2SO4\nC\nC A SIMPLE MATERIAL BALANCE IS PERFORMED, AND THE SOLID (NH4)2SO4\nC IS CALCULATED FROM THE SULFATES. THE EXCESS AMMONIA REMAINS IN\nC THE GAS PHASE.\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCS1\n INCLUDE 'isrpia.inc'\nC\n CNH42S4 = MIN(WAER(2),0.5d0*WAER(3)) ! For bad input problems\n GNH3 = ZERO\nC\n W(2) = CNH42S4\n W(3) = 2.D0*CNH42S4 + GNH3\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCS1 ******************************************\nC\n END\n\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCN3\nC *** CASE N3\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0)\nC 2. THERE IS ONLY A LIQUID PHASE\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCN3\n INCLUDE 'isrpia.inc'\n DOUBLE PRECISION NH4I, NO3I, NH3AQ, NO3AQ\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n CALAOU =.TRUE. ! Outer loop activity calculation flag\n FRST =.TRUE.\n CALAIN =.TRUE.\nC\nC *** AEROSOL WATER CONTENT\nC\n MOLALR(4) = MIN(WAER(2),0.5d0*WAER(3)) ! (NH4)2SO4\n AML5 = MAX(WAER(3)-2.D0*MOLALR(4),ZERO) ! \"free\" NH4\n MOLALR(5) = MAX(MIN(AML5,WAER(4)), ZERO) ! NH4NO3=MIN(\"free\",NO3)\n WATER = MOLALR(4)/M0(4) + MOLALR(5)/M0(5)\n WATER = MAX(WATER, TINY)\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\n A2 = XK2 *R*TEMP/XKW/RH*(GAMA(8)/GAMA(9))**2.\nCC A21 = XK21*WATER*R*TEMP\n A3 = XK4*R*TEMP*(WATER/GAMA(10))**2.0\n A4 = XK7*(WATER/GAMA(4))**3.0\n AKW = XKW *RH*WATER*WATER\nC\nC ION CONCENTRATIONS\nC\n NH4I = WAER(3)\n NO3I = WAER(4)\n SO4I = WAER(2)\n HSO4I = ZERO\nC\n CALL CALCPH (2.D0*SO4I + NO3I - NH4I, HI, OHI)\nC\nC AMMONIA ASSOCIATION EQUILIBRIUM\nC\n NH3AQ = ZERO\n NO3AQ = ZERO\n GG = 2.D0*SO4I + NO3I - NH4I\n IF (HI.LT.OHI) THEN\n CALL CALCAMAQ2 (-GG, NH4I, OHI, NH3AQ)\n HI = AKW/OHI\n ELSE\n HI = ZERO\n CALL CALCNIAQ2 (GG, NO3I, HI, NO3AQ) ! HNO3\nC\nC CONCENTRATION ADJUSTMENTS ; HSO4 minor species.\nC\n CALL CALCHS4 (HI, SO4I, ZERO, DEL)\n SO4I = SO4I - DEL\n HI = HI - DEL\n HSO4I = DEL\n OHI = AKW/HI\n ENDIF\nC\nC *** SAVE CONCENTRATIONS IN MOLAL ARRAY ******************************\nC\n MOLAL (1) = HI\n MOLAL (3) = NH4I\n MOLAL (5) = SO4I\n MOLAL (6) = HSO4I\n MOLAL (7) = NO3I\n COH = OHI\nC\n CNH42S4 = ZERO\n CNH4NO3 = ZERO\nC\n GASAQ(1) = NH3AQ\n GASAQ(3) = NO3AQ\nC\n GHNO3 = HI*NO3I/A3\n GNH3 = NH4I/HI/A2 ! NH3AQ/A21 \nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP ******************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT \n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nC\nC *** RETURN ***********************************************************\nC\n20 RETURN\nC\nC *** END OF SUBROUTINE CALCN3 *****************************************\nC\n END\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCN2\nC *** CASE N2\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : (NH4)2SO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCN2\n INCLUDE 'isrpia.inc'\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n CHI1 = MIN(WAER(2),0.5d0*WAER(3)) ! (NH4)2SO4\n CHI2 = MAX(WAER(3) - 2.D0*CHI1, ZERO) ! \"Free\" NH4+\n CHI3 = MAX(WAER(4) - CHI2, ZERO) ! \"Free\" NO3\nC\n PSI2 = CHI2\n PSI3 = CHI3\nC\n CALAOU = .TRUE. ! Outer loop activity calculation flag\n PSI1LO = TINY ! Low limit\n PSI1HI = CHI1 ! High limit\nC\nC *** INITIAL VALUES FOR BISECTION ************************************\nC\n X1 = PSI1HI\n Y1 = FUNCN2 (X1)\n IF (Y1.LE.EPS) RETURN ! IF (ABS(Y1).LE.EPS .OR. Y1.LE.ZERO) RETURN\n YHI= Y1 ! Save Y-value at HI position\nC\nC *** ROOT TRACKING ; FOR THE RANGE OF HI AND LO **********************\nC\n DX = (PSI1HI-PSI1LO)/FLOAT(NDIV)\n DO 10 I=1,NDIV\n X2 = MAX(X1-DX, ZERO)\n Y2 = FUNCN2 (X2)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y2).LT.ZERO) GOTO 20 ! (Y1*Y2.LT.ZERO)\n X1 = X2\n Y1 = Y2\n10 CONTINUE\nC\nC *** NO SUBDIVISION WITH SOLUTION FOUND \nC\n YLO= Y1 ! Save Y-value at Hi position\n IF (ABS(Y2) .LT. EPS) THEN ! X2 IS A SOLUTION \n RETURN\nC\nC *** { YLO, YHI } < 0.0 THE SOLUTION IS ALWAYS UNDERSATURATED WITH NH3\nC\n ELSE IF (YLO.LT.ZERO .AND. YHI.LT.ZERO) THEN\n P4 = CHI4\n YY = FUNCN2(P4)\n GOTO 50\nC\nC *** { YLO, YHI } > 0.0 THE SOLUTION IS ALWAYS SUPERSATURATED WITH NH3\nC\n ELSE IF (YLO.GT.ZERO .AND. YHI.GT.ZERO) THEN\n P4 = TINY\n YY = FUNCN2(P4)\n GOTO 50\n ELSE\n CALL PUSHERR (0001, 'CALCN2') ! WARNING ERROR: NO SOLUTION\n RETURN\n ENDIF\nC\nC *** PERFORM BISECTION ***********************************************\nC\n20 DO 30 I=1,MAXIT\n X3 = 0.5*(X1+X2)\n Y3 = FUNCN2 (X3)\n IF (SIGN(1.d0,Y1)*SIGN(1.d0,Y3) .LE. ZERO) THEN ! (Y1*Y3 .LE. ZERO)\n Y2 = Y3\n X2 = X3\n ELSE\n Y1 = Y3\n X1 = X3\n ENDIF\n IF (ABS(X2-X1) .LE. EPS*X1) GOTO 40\n30 CONTINUE\n CALL PUSHERR (0002, 'CALCN2') ! WARNING ERROR: NO CONVERGENCE\nC\nC *** CONVERGED ; RETURN **********************************************\nC\n40 X3 = 0.5*(X1+X2)\n Y3 = FUNCN2 (X3)\n50 CONTINUE\n RETURN\nC\nC *** END OF SUBROUTINE CALCN2 ******************************************\nC\n END\n\n\n\nC======================================================================\nC\nC *** ISORROPIA CODE\nC *** FUNCTION FUNCN2\nC *** CASE D2 \nC FUNCTION THAT SOLVES THE SYSTEM OF EQUATIONS FOR CASE D2 ; \nC AND RETURNS THE VALUE OF THE ZEROED FUNCTION IN FUNCN2.\nC\nC=======================================================================\nC\n DOUBLE PRECISION FUNCTION FUNCN2 (P1)\n INCLUDE 'isrpia.inc'\n DOUBLE PRECISION NH4I, NO3I, NH3AQ, NO3AQ\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n FRST = .TRUE.\n CALAIN = .TRUE.\n PSI1 = P1\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\n A2 = XK2 *R*TEMP/XKW/RH*(GAMA(8)/GAMA(9))**2.\nCC A21 = XK21*WATER*R*TEMP\n A3 = XK4*R*TEMP*(WATER/GAMA(10))**2.0\n A4 = XK7*(WATER/GAMA(4))**3.0\n AKW = XKW *RH*WATER*WATER\nC\nC ION CONCENTRATIONS\nC\n NH4I = 2.D0*PSI1 + PSI2 \n NO3I = PSI2 + PSI3\n SO4I = PSI1 \n HSO4I = ZERO\nC\n CALL CALCPH (2.D0*SO4I + NO3I - NH4I, HI, OHI)\nC\nC AMMONIA ASSOCIATION EQUILIBRIUM\nC\n NH3AQ = ZERO\n NO3AQ = ZERO\n GG = 2.D0*SO4I + NO3I - NH4I\n IF (HI.LT.OHI) THEN\n CALL CALCAMAQ2 (-GG, NH4I, OHI, NH3AQ)\n HI = AKW/OHI\n ELSE\n HI = ZERO\n CALL CALCNIAQ2 (GG, NO3I, HI, NO3AQ) ! HNO3\nC\nC CONCENTRATION ADJUSTMENTS ; HSO4 minor species.\nC\n CALL CALCHS4 (HI, SO4I, ZERO, DEL)\n SO4I = SO4I - DEL\n HI = HI - DEL\n HSO4I = DEL\n OHI = AKW/HI\n ENDIF\nC\nC *** SAVE CONCENTRATIONS IN MOLAL ARRAY ******************************\nC\n MOLAL (1) = HI\n MOLAL (3) = NH4I\n MOLAL (5) = SO4I\n MOLAL (6) = HSO4I\n MOLAL (7) = NO3I\n COH = OHI\nC\n CNH42S4 = CHI1 - PSI1\n CNH4NO3 = ZERO\nC\n GASAQ(1) = NH3AQ\n GASAQ(3) = NO3AQ\nC\n GHNO3 = HI*NO3I/A3\n GNH3 = NH4I/HI/A2 ! NH3AQ/A21 \nC\nC *** CALCULATE MOLALR ARRAY, WATER AND ACTIVITIES **********************\nC\n CALL CALCMR\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT \n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nC\nC *** CALCULATE OBJECTIVE FUNCTION ************************************\nC\n20 FUNCN2= NH4I*NH4I*SO4I/A4 - ONE \n RETURN\nC\nC *** END OF FUNCTION FUNCN2 ********************************************\nC\n END\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCN1\nC *** CASE N1 \nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0)\nC 2. SOLID AEROSOL ONLY\nC 3. SOLIDS POSSIBLE : (NH4)2SO4, NH4NO3\nC\nC THERE ARE TWO REGIMES DEFINED BY RELATIVE HUMIDITY:\nC 1. RH < MDRH ; ONLY SOLID PHASE POSSIBLE (SUBROUTINE CALCN1A)\nC 2. RH >= MDRH ; LIQUID PHASE POSSIBLE (MDRH REGION)\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCN1\n INCLUDE 'isrpia.inc'\n EXTERNAL CALCN1A, CALCN2\nC\nC *** REGIME DEPENDS UPON THE AMBIENT RELATIVE HUMIDITY *****************\nC\n IF (RH.LT.DRMASAN) THEN \n SCASE = 'N1 ; SUBCASE 1' \n CALL CALCN1A ! SOLID PHASE ONLY POSSIBLE\n SCASE = 'N1 ; SUBCASE 1'\n ELSE\n SCASE = 'N1 ; SUBCASE 2' \n CALL CALCMDRP (RH, DRMASAN, DRNH4NO3, CALCN1A, CALCN2)\n SCASE = 'N1 ; SUBCASE 2'\n ENDIF\nC \n RETURN\nC\nC *** END OF SUBROUTINE CALCN1 ******************************************\nC\n END\n\n\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCN1A\nC *** CASE N1 ; SUBCASE 1\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0)\nC 2. SOLID AEROSOL ONLY\nC 3. SOLIDS POSSIBLE : (NH4)2SO4, NH4NO3\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCN1A\n INCLUDE 'isrpia.inc'\nC\nC *** SETUP PARAMETERS *************************************************\nC\nCCC A1 = XK10/R/TEMP/R/TEMP\nC\nC *** CALCULATE AEROSOL COMPOSITION ************************************\nC\nCCC CHI1 = 2.D0*WAER(4) ! Free parameter ; arbitrary value.\n PSI1 = WAER(4)\nC\nC *** The following statment is here to avoid negative NH4+ values in \nC CALCN? routines that call CALCN1A\nC\n PSI2 = MAX(MIN(WAER(2),0.5d0*(WAER(3)-PSI1)),TINY)\nC\n CNH4NO3 = PSI1\n CNH42S4 = PSI2\nC\nCCC GNH3 = CHI1 + PSI1 + 2.0*PSI2\nCCC GHNO3 = A1/(CHI1-PSI1) + PSI1\n GNH3 = ZERO\n GHNO3 = ZERO\nC\n W(2) = PSI2\n W(3) = GNH3 + PSI1 + 2.0*PSI2 \n W(4) = GHNO3 + PSI1\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCN1A *****************************************\nC\n END\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCQ5\nC *** CASE Q5\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0); SODIUM POOR (SODRAT < 2.0)\nC 2. LIQUID AND SOLID PHASES ARE POSSIBLE\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCQ5\n INCLUDE 'isrpia.inc'\nC\n DOUBLE PRECISION NH4I, NAI, NO3I, NH3AQ, NO3AQ, CLAQ\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n FRST =.TRUE.\n CALAIN =.TRUE. \n CALAOU =.TRUE.\nC\nC *** CALCULATE INITIAL SOLUTION ***************************************\nC\n CALL CALCQ1A\nC\n PSI1 = CNA2SO4 ! SALTS DISSOLVED\n PSI4 = CNH4CL\n PSI5 = CNH4NO3\n PSI6 = CNH42S4\nC\n CALL CALCMR ! WATER\nC\n NH3AQ = ZERO\n NO3AQ = ZERO\n CLAQ = ZERO\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\n AKW = XKW*RH*WATER*WATER ! H2O <==> H+\nC\nC ION CONCENTRATIONS\nC\n NAI = WAER(1)\n SO4I = WAER(2)\n NH4I = WAER(3)\n NO3I = WAER(4)\n CLI = WAER(5)\nC\nC SOLUTION ACIDIC OR BASIC?\nC\n GG = 2.D0*SO4I + NO3I + CLI - NAI - NH4I\n IF (GG.GT.TINY) THEN ! H+ in excess\n BB =-GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n HI = 0.5D0*(-BB + SQRT(DD))\n OHI= AKW/HI\n ELSE ! OH- in excess\n BB = GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n OHI= 0.5D0*(-BB + SQRT(DD))\n HI = AKW/OHI\n ENDIF\nC\nC UNDISSOCIATED SPECIES EQUILIBRIA\nC\n IF (HI.LT.OHI) THEN\n CALL CALCAMAQ2 (-GG, NH4I, OHI, NH3AQ)\n HI = AKW/OHI\n HSO4I = ZERO\n ELSE\n GGNO3 = MAX(2.D0*SO4I + NO3I - NAI - NH4I, ZERO)\n GGCL = MAX(GG-GGNO3, ZERO)\n IF (GGCL .GT.TINY) CALL CALCCLAQ2 (GGCL, CLI, HI, CLAQ) ! HCl\n IF (GGNO3.GT.TINY) THEN\n IF (GGCL.LE.TINY) HI = ZERO\n CALL CALCNIAQ2 (GGNO3, NO3I, HI, NO3AQ) ! HNO3\n ENDIF\nC\nC CONCENTRATION ADJUSTMENTS ; HSO4 minor species.\nC\n CALL CALCHS4 (HI, SO4I, ZERO, DEL)\n SO4I = SO4I - DEL\n HI = HI - DEL\n HSO4I = DEL\n OHI = AKW/HI\n ENDIF\nC\nC *** SAVE CONCENTRATIONS IN MOLAL ARRAY ******************************\nC\n MOLAL(1) = HI\n MOLAL(2) = NAI\n MOLAL(3) = NH4I\n MOLAL(4) = CLI\n MOLAL(5) = SO4I\n MOLAL(6) = HSO4I\n MOLAL(7) = NO3I\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nccc CALL PUSHERR (0002, 'CALCQ5') ! WARNING ERROR: NO CONVERGENCE\nC \nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n20 A2 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2. ! NH3 <==> NH4+\n A3 = XK4 *R*TEMP*(WATER/GAMA(10))**2. ! HNO3 <==> NO3-\n A4 = XK3 *R*TEMP*(WATER/GAMA(11))**2. ! HCL <==> CL-\nC\n GNH3 = NH4I/HI/A2\n GHNO3 = HI*NO3I/A3\n GHCL = HI*CLI /A4\nC\n GASAQ(1)= NH3AQ\n GASAQ(2)= CLAQ\n GASAQ(3)= NO3AQ\nC\n CNH42S4 = ZERO\n CNH4NO3 = ZERO\n CNH4CL = ZERO\n CNACL = ZERO\n CNANO3 = ZERO\n CNA2SO4 = ZERO\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCQ5 ******************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCQ4\nC *** CASE Q4\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0); SODIUM POOR (SODRAT < 2.0)\nC 2. LIQUID AND SOLID PHASES ARE POSSIBLE\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCQ4\n INCLUDE 'isrpia.inc'\nC\n LOGICAL PSCONV1\n DOUBLE PRECISION NH4I, NAI, NO3I, NH3AQ, NO3AQ, CLAQ\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n FRST =.TRUE.\n CALAIN =.TRUE. \n CALAOU =.TRUE.\nC \n PSCONV1 =.TRUE.\n PSI1O =-GREAT\n ROOT3 = ZERO\nC\nC *** CALCULATE INITIAL SOLUTION ***************************************\nC\n CALL CALCQ1A\nC\n CHI1 = CNA2SO4 ! SALTS\nC\n PSI1 = CNA2SO4 ! AMOUNT DISSOLVED\n PSI4 = CNH4CL\n PSI5 = CNH4NO3\n PSI6 = CNH42S4\nC\n CALL CALCMR ! WATER\nC\n NAI = WAER(1) ! LIQUID CONCENTRATIONS\n SO4I = WAER(2)\n NH4I = WAER(3)\n NO3I = WAER(4)\n CLI = WAER(5)\n HSO4I = ZERO\n NH3AQ = ZERO\n NO3AQ = ZERO\n CLAQ = ZERO\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\n A5 = XK5 *(WATER/GAMA(2))**3. ! Na2SO4 <==> Na+\n AKW = XKW*RH*WATER*WATER ! H2O <==> H+\nC\nC SODIUM SULFATE\nC\n IF (NAI*NAI*SO4I .GT. A5) THEN\n BB =-(WAER(2) + WAER(1))\n CC = WAER(1)*WAER(2) + 0.25*WAER(1)*WAER(1)\n DD =-0.25*(WAER(1)*WAER(1)*WAER(2) - A5)\n CALL POLY3(BB, CC, DD, ROOT3, ISLV)\n IF (ISLV.NE.0) ROOT3 = TINY\n ROOT3 = MIN (ROOT3, WAER(1)/2.0, WAER(2), CHI1)\n ROOT3 = MAX (ROOT3, ZERO)\n PSI1 = CHI1-ROOT3\n ENDIF\n PSCONV1 = ABS(PSI1-PSI1O) .LE. EPS*PSI1O\n PSI1O = PSI1\nC\nC ION CONCENTRATIONS ; CORRECTIONS\nC\n NAI = WAER(1) - 2.D0*ROOT3\n SO4I= WAER(2) - ROOT3\n NH4I = WAER(3)\n NO3I = WAER(4)\n CLI = WAER(5)\nC\nC SOLUTION ACIDIC OR BASIC?\nC\n GG = 2.D0*SO4I + NO3I + CLI - NAI - NH4I\n IF (GG.GT.TINY) THEN ! H+ in excess\n BB =-GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n HI = 0.5D0*(-BB + SQRT(DD))\n OHI= AKW/HI\n ELSE ! OH- in excess\n BB = GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n OHI= 0.5D0*(-BB + SQRT(DD))\n HI = AKW/OHI\n ENDIF\nC\nC UNDISSOCIATED SPECIES EQUILIBRIA\nC\n IF (HI.LT.OHI) THEN\n CALL CALCAMAQ2 (-GG, NH4I, OHI, NH3AQ)\n HI = AKW/OHI\n HSO4I = ZERO\n ELSE\n GGNO3 = MAX(2.D0*SO4I + NO3I - NAI - NH4I, ZERO)\n GGCL = MAX(GG-GGNO3, ZERO)\n IF (GGCL .GT.TINY) CALL CALCCLAQ2 (GGCL, CLI, HI, CLAQ) ! HCl\n IF (GGNO3.GT.TINY) THEN\n IF (GGCL.LE.TINY) HI = ZERO\n CALL CALCNIAQ2 (GGNO3, NO3I, HI, NO3AQ) ! HNO3\n ENDIF\nC\nC CONCENTRATION ADJUSTMENTS ; HSO4 minor species.\nC\n CALL CALCHS4 (HI, SO4I, ZERO, DEL)\n SO4I = SO4I - DEL\n HI = HI - DEL\n HSO4I = DEL\n OHI = AKW/HI\n ENDIF\nC\nC *** SAVE CONCENTRATIONS IN MOLAL ARRAY ******************************\nC\n MOLAL(1) = HI\n MOLAL(2) = NAI\n MOLAL(3) = NH4I\n MOLAL(4) = CLI\n MOLAL(5) = SO4I\n MOLAL(6) = HSO4I\n MOLAL(7) = NO3I\nC\nC *** CALCULATE WATER **************************************************\nC\n CALL CALCMR\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n IF (PSCONV1) GOTO 20\n ENDIF\n10 CONTINUE\nccc CALL PUSHERR (0002, 'CALCQ4') ! WARNING ERROR: NO CONVERGENCE\nC \nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n20 A2 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2. ! NH3 <==> NH4+\n A3 = XK4 *R*TEMP*(WATER/GAMA(10))**2. ! HNO3 <==> NO3-\n A4 = XK3 *R*TEMP*(WATER/GAMA(11))**2. ! HCL <==> CL-\nC\n GNH3 = NH4I/HI/A2\n GHNO3 = HI*NO3I/A3\n GHCL = HI*CLI /A4\nC\n GASAQ(1)= NH3AQ\n GASAQ(2)= CLAQ\n GASAQ(3)= NO3AQ\nC\n CNH42S4 = ZERO\n CNH4NO3 = ZERO\n CNH4CL = ZERO\n CNACL = ZERO\n CNANO3 = ZERO\n CNA2SO4 = CHI1 - PSI1\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCQ4 ******************************************\nC\n END\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCQ3\nC *** CASE Q3\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; SODIUM RICH (SODRAT >= 2.0)\nC 2. SOLID & LIQUID AEROSOL POSSIBLE\nC 3. SOLIDS POSSIBLE : NH4CL, NA2SO4, NANO3, NACL\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCQ3\n INCLUDE 'isrpia.inc'\n LOGICAL EXNO, EXCL\n EXTERNAL CALCQ1A, CALCQ4\nC\nC *** REGIME DEPENDS ON AMBIENT RELATIVE HUMIDITY & POSSIBLE SPECIES ***\nC\n EXNO = WAER(4).GT.TINY \n EXCL = WAER(5).GT.TINY \nC\n IF (EXNO .OR. EXCL) THEN ! *** NITRATE OR CHLORIDE EXISTS\n SCASE = 'Q3 ; SUBCASE 1' \n CALL CALCQ3A \n SCASE = 'Q3 ; SUBCASE 1' \nC\n ELSE ! *** NO CHLORIDE AND NITRATE\n IF (RH.LT.DRMG3) THEN \n SCASE = 'Q3 ; SUBCASE 2' \n CALL CALCQ1A ! SOLID\n SCASE = 'Q3 ; SUBCASE 2'\n ELSE\n SCASE = 'Q3 ; SUBCASE 3' ! MDRH (NH4)2SO4, NA2SO4\n CALL CALCMDRP (RH, DRMG3, DRNH42S4, CALCQ1A, CALCQ4)\n SCASE = 'Q3 ; SUBCASE 3'\n ENDIF\n ENDIF\nC \n RETURN\nC\nC *** END OF SUBROUTINE CALCQ3 ******************************************\nC\n END\n\n\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCQ3A\nC *** CASE Q3 ; SUBCASE A\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0); SODIUM POOR (SODRAT < 2.0)\nC 2. LIQUID AND SOLID PHASES ARE POSSIBLE\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCQ3A\n INCLUDE 'isrpia.inc'\nC\n LOGICAL PSCONV1, PSCONV6\n DOUBLE PRECISION NH4I, NAI, NO3I, NH3AQ, NO3AQ, CLAQ\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n FRST =.TRUE.\n CALAIN =.TRUE. \n CALAOU =.TRUE.\nC \n PSCONV1 =.TRUE.\n PSCONV6 =.TRUE.\nC\n PSI1O =-GREAT\n PSI6O =-GREAT\nC\n ROOT1 = ZERO\n ROOT3 = ZERO\nC\nC *** CALCULATE INITIAL SOLUTION ***************************************\nC\n CALL CALCQ1A\nC\n CHI1 = CNA2SO4 ! SALTS\n CHI4 = CNH4CL\n CHI6 = CNH42S4\nC\n PSI1 = CNA2SO4 ! AMOUNT DISSOLVED\n PSI4 = CNH4CL\n PSI5 = CNH4NO3\n PSI6 = CNH42S4\nC\n CALL CALCMR ! WATER\nC\n NAI = WAER(1) ! LIQUID CONCENTRATIONS\n SO4I = WAER(2)\n NH4I = WAER(3)\n NO3I = WAER(4)\n CLI = WAER(5)\n HSO4I = ZERO\n NH3AQ = ZERO\n NO3AQ = ZERO\n CLAQ = ZERO\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\n A5 = XK5 *(WATER/GAMA(2))**3. ! Na2SO4 <==> Na+\n A7 = XK7 *(WATER/GAMA(4))**3. ! (NH4)2SO4 <==> NH4+\n AKW = XKW*RH*WATER*WATER ! H2O <==> H+\nC\nC SODIUM SULFATE\nC\n IF (NAI*NAI*SO4I .GT. A5) THEN\n BB =-(WAER(2) + WAER(1) - ROOT1)\n CC = WAER(1)*(WAER(2) - ROOT1) + 0.25*WAER(1)*WAER(1)\n DD =-0.25*(WAER(1)*WAER(1)*(WAER(2) - ROOT1) - A5)\n CALL POLY3(BB, CC, DD, ROOT3, ISLV)\n IF (ISLV.NE.0) ROOT3 = TINY\n ROOT3 = MIN (ROOT3, WAER(1)/2.0, WAER(2) - ROOT1, CHI1)\n ROOT3 = MAX (ROOT3, ZERO)\n PSI1 = CHI1-ROOT3\n ENDIF\n PSCONV1 = ABS(PSI1-PSI1O) .LE. EPS*PSI1O\n PSI1O = PSI1\nC\nC AMMONIUM SULFATE\nC\n IF (NH4I*NH4I*SO4I .GT. A7) THEN\n BB =-(WAER(2)+WAER(3)-ROOT3)\n CC = WAER(3)*(WAER(2)-ROOT3+0.5D0*WAER(3))\n DD =-((WAER(2)-ROOT3)*WAER(3)**2.D0 + A7)/4.D0\n CALL POLY3(BB, CC, DD, ROOT1, ISLV)\n IF (ISLV.NE.0) ROOT1 = TINY\n ROOT1 = MIN(ROOT1, WAER(3), WAER(2)-ROOT3, CHI6)\n ROOT1 = MAX(ROOT1, ZERO)\n PSI6 = CHI6-ROOT1\n ENDIF\n PSCONV6 = ABS(PSI6-PSI6O) .LE. EPS*PSI6O\n PSI6O = PSI6\nC\nC ION CONCENTRATIONS\nC\n NAI = WAER(1) - 2.D0*ROOT3\n SO4I= WAER(2) - ROOT1 - ROOT3\n NH4I= WAER(3) - 2.D0*ROOT1\n NO3I= WAER(4)\n CLI = WAER(5)\nC\nC SOLUTION ACIDIC OR BASIC?\nC\n GG = 2.D0*SO4I + NO3I + CLI - NAI - NH4I\n IF (GG.GT.TINY) THEN ! H+ in excess\n BB =-GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n HI = 0.5D0*(-BB + SQRT(DD))\n OHI= AKW/HI\n ELSE ! OH- in excess\n BB = GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n OHI= 0.5D0*(-BB + SQRT(DD))\n HI = AKW/OHI\n ENDIF\nC\nC UNDISSOCIATED SPECIES EQUILIBRIA\nC\n IF (HI.LT.OHI) THEN\n CALL CALCAMAQ2 (-GG, NH4I, OHI, NH3AQ)\n HI = AKW/OHI\n HSO4I = ZERO\n ELSE\n GGNO3 = MAX(2.D0*SO4I + NO3I - NAI - NH4I, ZERO)\n GGCL = MAX(GG-GGNO3, ZERO)\n IF (GGCL .GT.TINY) CALL CALCCLAQ2 (GGCL, CLI, HI, CLAQ) ! HCl\n IF (GGNO3.GT.TINY) THEN\n IF (GGCL.LE.TINY) HI = ZERO\n CALL CALCNIAQ2 (GGNO3, NO3I, HI, NO3AQ) ! HNO3\n ENDIF\nC\nC CONCENTRATION ADJUSTMENTS ; HSO4 minor species.\nC\n CALL CALCHS4 (HI, SO4I, ZERO, DEL)\n SO4I = SO4I - DEL\n HI = HI - DEL\n HSO4I = DEL\n OHI = AKW/HI\n ENDIF\nC\nC *** SAVE CONCENTRATIONS IN MOLAL ARRAY ******************************\nC\n MOLAL(1) = HI\n MOLAL(2) = NAI\n MOLAL(3) = NH4I\n MOLAL(4) = CLI\n MOLAL(5) = SO4I\n MOLAL(6) = HSO4I\n MOLAL(7) = NO3I\nC\nC *** CALCULATE WATER **************************************************\nC\n CALL CALCMR\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n IF (PSCONV1 .AND. PSCONV6) GOTO 20 \n ENDIF\n10 CONTINUE\nccc CALL PUSHERR (0002, 'CALCQ3A') ! WARNING ERROR: NO CONVERGENCE\nC \nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n20 A2 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2. ! NH3 <==> NH4+\n A3 = XK4 *R*TEMP*(WATER/GAMA(10))**2. ! HNO3 <==> NO3-\n A4 = XK3 *R*TEMP*(WATER/GAMA(11))**2. ! HCL <==> CL-\nC\n GNH3 = NH4I/HI/A2\n GHNO3 = HI*NO3I/A3\n GHCL = HI*CLI /A4\nC\n GASAQ(1)= NH3AQ\n GASAQ(2)= CLAQ\n GASAQ(3)= NO3AQ\nC\n CNH42S4 = CHI6 - PSI6\n CNH4NO3 = ZERO\n CNH4CL = ZERO\n CNACL = ZERO\n CNANO3 = ZERO\n CNA2SO4 = CHI1 - PSI1\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCQ3A *****************************************\nC\n END\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCQ2\nC *** CASE Q2\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; SODIUM RICH (SODRAT >= 2.0)\nC 2. SOLID & LIQUID AEROSOL POSSIBLE\nC 3. SOLIDS POSSIBLE : NH4CL, NA2SO4, NANO3, NACL\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCQ2\n INCLUDE 'isrpia.inc'\n LOGICAL EXNO, EXCL\n EXTERNAL CALCQ1A, CALCQ3A, CALCQ4\nC\nC *** REGIME DEPENDS ON AMBIENT RELATIVE HUMIDITY & POSSIBLE SPECIES ***\nC\n EXNO = WAER(4).GT.TINY \n EXCL = WAER(5).GT.TINY \nC\n IF (EXNO) THEN ! *** NITRATE EXISTS\n SCASE = 'Q2 ; SUBCASE 1' \n CALL CALCQ2A \n SCASE = 'Q2 ; SUBCASE 1' \nC \n ELSEIF (.NOT.EXNO .AND. EXCL) THEN ! *** ONLY CHLORIDE EXISTS\n IF (RH.LT.DRMG2) THEN \n SCASE = 'Q2 ; SUBCASE 2' \n CALL CALCQ1A ! SOLID\n SCASE = 'Q2 ; SUBCASE 2'\n ELSE\n SCASE = 'Q2 ; SUBCASE 3' ! MDRH (NH4)2SO4, NA2SO4, NH4CL\n CALL CALCMDRP (RH, DRMG2, DRNH4CL, CALCQ1A, CALCQ3A)\n SCASE = 'Q2 ; SUBCASE 3'\n ENDIF\nC\n ELSE ! *** NO CHLORIDE AND NITRATE\n IF (RH.LT.DRMG3) THEN \n SCASE = 'Q2 ; SUBCASE 2' \n CALL CALCQ1A ! SOLID\n SCASE = 'Q2 ; SUBCASE 2'\n ELSE\n SCASE = 'Q2 ; SUBCASE 4' ! MDRH (NH4)2SO4, NA2SO4\n CALL CALCMDRP (RH, DRMG3, DRNH42S4, CALCQ1A, CALCQ4)\n SCASE = 'Q2 ; SUBCASE 4'\n ENDIF\n ENDIF\nC \n RETURN\nC\nC *** END OF SUBROUTINE CALCQ2 ******************************************\nC\n END\n\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCQ2A\nC *** CASE Q2 ; SUBCASE A\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0); SODIUM POOR (SODRAT < 2.0)\nC 2. LIQUID AND SOLID PHASES ARE POSSIBLE\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCQ2A\n INCLUDE 'isrpia.inc'\nC\n LOGICAL PSCONV1, PSCONV4, PSCONV6\n DOUBLE PRECISION NH4I, NAI, NO3I, NH3AQ, NO3AQ, CLAQ\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n FRST =.TRUE.\n CALAIN =.TRUE. \n CALAOU =.TRUE.\nC \n PSCONV1 =.TRUE.\n PSCONV4 =.TRUE.\n PSCONV6 =.TRUE.\nC\n PSI1O =-GREAT\n PSI4O =-GREAT\n PSI6O =-GREAT\nC\n ROOT1 = ZERO\n ROOT2 = ZERO\n ROOT3 = ZERO\nC\nC *** CALCULATE INITIAL SOLUTION ***************************************\nC\n CALL CALCQ1A\nC\n CHI1 = CNA2SO4 ! SALTS\n CHI4 = CNH4CL\n CHI6 = CNH42S4\nC\n PSI1 = CNA2SO4 ! AMOUNT DISSOLVED\n PSI4 = CNH4CL\n PSI5 = CNH4NO3\n PSI6 = CNH42S4\nC\n CALL CALCMR ! WATER\nC\n NAI = WAER(1) ! LIQUID CONCENTRATIONS\n SO4I = WAER(2)\n NH4I = WAER(3)\n NO3I = WAER(4)\n CLI = WAER(5)\n HSO4I = ZERO\n NH3AQ = ZERO\n NO3AQ = ZERO\n CLAQ = ZERO\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\n A5 = XK5 *(WATER/GAMA(2))**3. ! Na2SO4 <==> Na+\n A14 = XK14*(WATER/GAMA(6))**2. ! NH4Cl <==> NH4+\n A7 = XK7 *(WATER/GAMA(4))**3. ! (NH4)2SO4 <==> Na+\n AKW = XKW*RH*WATER*WATER ! H2O <==> H+\nC\nC AMMONIUM CHLORIDE\nC\n IF (NH4I*CLI .GT. A14) THEN\n BB =-(WAER(3) + WAER(5) - 2.D0*ROOT1)\n CC = WAER(5)*(WAER(3) - 2.D0*ROOT1) - A14\n DD = BB*BB - 4.D0*CC\n IF (DD.LT.ZERO) THEN\n ROOT2 = ZERO\n ELSE\n DD = SQRT(DD)\n ROOT2A= 0.5D0*(-BB+DD) \n ROOT2B= 0.5D0*(-BB-DD) \n IF (ZERO.LE.ROOT2A) THEN\n ROOT2 = ROOT2A\n ELSE\n ROOT2 = ROOT2B\n ENDIF\n ROOT2 = MIN(ROOT2, WAER(5), WAER(3) - 2.D0*ROOT1, CHI4)\n ROOT2 = MAX(ROOT2, ZERO)\n PSI4 = CHI4 - ROOT2\n ENDIF\n ENDIF\n PSCONV4 = ABS(PSI4-PSI4O) .LE. EPS*PSI4O\n PSI4O = PSI4\nC\nC SODIUM SULFATE\nC\n IF (NAI*NAI*SO4I .GT. A5) THEN\n BB =-(WAER(2) + WAER(1) - ROOT1)\n CC = WAER(1)*(WAER(2) - ROOT1) + 0.25*WAER(1)*WAER(1)\n DD =-0.25*(WAER(1)*WAER(1)*(WAER(2) - ROOT1) - A5)\n CALL POLY3(BB, CC, DD, ROOT3, ISLV)\n IF (ISLV.NE.0) ROOT3 = TINY\n ROOT3 = MIN (ROOT3, WAER(1)/2.0, WAER(2) - ROOT1, CHI1)\n ROOT3 = MAX (ROOT3, ZERO)\n PSI1 = CHI1-ROOT3\n ENDIF\n PSCONV1 = ABS(PSI1-PSI1O) .LE. EPS*PSI1O\n PSI1O = PSI1\nC\nC AMMONIUM SULFATE\nC\n IF (NH4I*NH4I*SO4I .GT. A7) THEN\n BB =-(WAER(2)+WAER(3)-ROOT2-ROOT3)\n CC = (WAER(3)-ROOT2)*(WAER(2)-ROOT3+0.5D0*(WAER(3)-ROOT2))\n DD =-((WAER(2)-ROOT3)*(WAER(3)-ROOT2)**2.D0 + A7)/4.D0\n CALL POLY3(BB, CC, DD, ROOT1, ISLV)\n IF (ISLV.NE.0) ROOT1 = TINY\n ROOT1 = MIN(ROOT1, WAER(3)-ROOT2, WAER(2)-ROOT3, CHI6)\n ROOT1 = MAX(ROOT1, ZERO)\n PSI6 = CHI6-ROOT1\n ENDIF\n PSCONV6 = ABS(PSI6-PSI6O) .LE. EPS*PSI6O\n PSI6O = PSI6\nC\nC ION CONCENTRATIONS\nC\n NAI = WAER(1) - 2.D0*ROOT3\n SO4I= WAER(2) - ROOT1 - ROOT3\n NH4I= WAER(3) - ROOT2 - 2.D0*ROOT1\n NO3I= WAER(4)\n CLI = WAER(5) - ROOT2\nC\nC SOLUTION ACIDIC OR BASIC?\nC\n GG = 2.D0*SO4I + NO3I + CLI - NAI - NH4I\n IF (GG.GT.TINY) THEN ! H+ in excess\n BB =-GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n HI = 0.5D0*(-BB + SQRT(DD))\n OHI= AKW/HI\n ELSE ! OH- in excess\n BB = GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n OHI= 0.5D0*(-BB + SQRT(DD))\n HI = AKW/OHI\n ENDIF\nC\nC UNDISSOCIATED SPECIES EQUILIBRIA\nC\n IF (HI.LT.OHI) THEN\n CALL CALCAMAQ2 (-GG, NH4I, OHI, NH3AQ)\n HI = AKW/OHI\n HSO4I = ZERO\n ELSE\n GGNO3 = MAX(2.D0*SO4I + NO3I - NAI - NH4I, ZERO)\n GGCL = MAX(GG-GGNO3, ZERO)\n IF (GGCL .GT.TINY) CALL CALCCLAQ2 (GGCL, CLI, HI, CLAQ) ! HCl\n IF (GGNO3.GT.TINY) THEN\n IF (GGCL.LE.TINY) HI = ZERO\n CALL CALCNIAQ2 (GGNO3, NO3I, HI, NO3AQ) ! HNO3\n ENDIF\nC\nC CONCENTRATION ADJUSTMENTS ; HSO4 minor species.\nC\n CALL CALCHS4 (HI, SO4I, ZERO, DEL)\n SO4I = SO4I - DEL\n HI = HI - DEL\n HSO4I = DEL\n OHI = AKW/HI\n ENDIF\nC\nC *** SAVE CONCENTRATIONS IN MOLAL ARRAY ******************************\nC\n MOLAL(1) = HI\n MOLAL(2) = NAI\n MOLAL(3) = NH4I\n MOLAL(4) = CLI\n MOLAL(5) = SO4I\n MOLAL(6) = HSO4I\n MOLAL(7) = NO3I\nC\nC *** CALCULATE WATER **************************************************\nC\n CALL CALCMR\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n IF (PSCONV1 .AND. PSCONV4 .AND. PSCONV6) GOTO 20\n ENDIF \n10 CONTINUE\nccc CALL PUSHERR (0002, 'CALCQ2A') ! WARNING ERROR: NO CONVERGENCE\nC \nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n20 A2 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2. ! NH3 <==> NH4+\n A3 = XK4 *R*TEMP*(WATER/GAMA(10))**2. ! HNO3 <==> NO3-\n A4 = XK3 *R*TEMP*(WATER/GAMA(11))**2. ! HCL <==> CL-\nC\n GNH3 = NH4I/HI/A2\n GHNO3 = HI*NO3I/A3\n GHCL = HI*CLI /A4\nC\n GASAQ(1)= NH3AQ\n GASAQ(2)= CLAQ\n GASAQ(3)= NO3AQ\nC\n CNH42S4 = CHI6 - PSI6\n CNH4NO3 = ZERO\n CNH4CL = CHI4 - PSI4\n CNACL = ZERO\n CNANO3 = ZERO\n CNA2SO4 = CHI1 - PSI1\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCQ2A *****************************************\nC\n END\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCQ1\nC *** CASE Q1\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; SODIUM POOR (SODRAT < 2.0)\nC 2. SOLID AEROSOL ONLY\nC 3. SOLIDS POSSIBLE : NH4NO3, NH4CL, (NH4)2SO4, NA2SO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCQ1\n INCLUDE 'isrpia.inc'\n LOGICAL EXNO, EXCL\n EXTERNAL CALCQ1A, CALCQ2A, CALCQ3A, CALCQ4\nC\nC *** REGIME DEPENDS ON AMBIENT RELATIVE HUMIDITY & POSSIBLE SPECIES ***\nC\n EXNO = WAER(4).GT.TINY \n EXCL = WAER(5).GT.TINY \nC\n IF (EXNO .AND. EXCL) THEN ! *** NITRATE & CHLORIDE EXIST\n IF (RH.LT.DRMG1) THEN \n SCASE = 'Q1 ; SUBCASE 1' \n CALL CALCQ1A ! SOLID\n SCASE = 'Q1 ; SUBCASE 1'\n ELSE\n SCASE = 'Q1 ; SUBCASE 2' ! MDRH (NH4)2SO4, NA2SO4, NH4CL, NH4NO3\n CALL CALCMDRP (RH, DRMG1, DRNH4NO3, CALCQ1A, CALCQ2A)\n SCASE = 'Q1 ; SUBCASE 2'\n ENDIF\nC\n ELSE IF (EXNO .AND. .NOT.EXCL) THEN ! *** ONLY NITRATE EXISTS\n IF (RH.LT.DRMQ1) THEN \n SCASE = 'Q1 ; SUBCASE 1' \n CALL CALCQ1A ! SOLID\n SCASE = 'Q1 ; SUBCASE 1'\n ELSE\n SCASE = 'Q1 ; SUBCASE 3' ! MDRH (NH4)2SO4, NA2SO4, NH4NO3\n CALL CALCMDRP (RH, DRMQ1, DRNH4NO3, CALCQ1A, CALCQ2A)\n SCASE = 'Q1 ; SUBCASE 3'\n ENDIF\nC\n ELSE IF (.NOT.EXNO .AND. EXCL) THEN ! *** ONLY CHLORIDE EXISTS\n IF (RH.LT.DRMG2) THEN \n SCASE = 'Q1 ; SUBCASE 1' \n CALL CALCQ1A ! SOLID\n SCASE = 'Q1 ; SUBCASE 1'\n ELSE\n SCASE = 'Q1 ; SUBCASE 4' ! MDRH (NH4)2SO4, NA2SO4, NH4CL\n CALL CALCMDRP (RH, DRMG2, DRNH4CL, CALCQ1A, CALCQ3A)\n SCASE = 'Q1 ; SUBCASE 4'\n ENDIF\nC\n ELSE ! *** NO CHLORIDE AND NITRATE\n IF (RH.LT.DRMG3) THEN \n SCASE = 'Q1 ; SUBCASE 1' \n CALL CALCQ1A ! SOLID\n SCASE = 'Q1 ; SUBCASE 1'\n ELSE\n SCASE = 'Q1 ; SUBCASE 5' ! MDRH (NH4)2SO4, NA2SO4\n CALL CALCMDRP (RH, DRMG3, DRNH42S4, CALCQ1A, CALCQ4)\n SCASE = 'Q1 ; SUBCASE 5'\n ENDIF\n ENDIF\nC \n RETURN\nC\nC *** END OF SUBROUTINE CALCQ1 ******************************************\nC\n END\n\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCQ1A\nC *** CASE Q1 ; SUBCASE 1\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; SODIUM POOR (SODRAT < 2.0)\nC 2. SOLID AEROSOL ONLY\nC 3. SOLIDS POSSIBLE : NH4NO3, NH4CL, (NH4)2SO4, NA2SO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCQ1A\n INCLUDE 'isrpia.inc'\nC\nC *** CALCULATE SOLIDS **************************************************\nC\n CNA2SO4 = 0.5d0*WAER(1)\n FRSO4 = MAX (WAER(2)-CNA2SO4, ZERO)\nC\n CNH42S4 = MAX (MIN(FRSO4,0.5d0*WAER(3)), TINY)\n FRNH3 = MAX (WAER(3)-2.D0*CNH42S4, ZERO)\nC\n CNH4NO3 = MIN (FRNH3, WAER(4))\nCCC FRNO3 = MAX (WAER(4)-CNH4NO3, ZERO)\n FRNH3 = MAX (FRNH3-CNH4NO3, ZERO)\nC\n CNH4CL = MIN (FRNH3, WAER(5))\nCCC FRCL = MAX (WAER(5)-CNH4CL, ZERO)\n FRNH3 = MAX (FRNH3-CNH4CL, ZERO)\nC\nC *** OTHER PHASES ******************************************************\nC\n WATER = ZERO\nC\n GNH3 = ZERO\n GHNO3 = ZERO\n GHCL = ZERO\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCQ1A *****************************************\nC\n END\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCR6\nC *** CASE R6\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0); SODIUM RICH (SODRAT >= 2.0)\nC 2. THERE IS ONLY A LIQUID PHASE\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCR6\n INCLUDE 'isrpia.inc'\nC\n DOUBLE PRECISION NH4I, NAI, NO3I, NH3AQ, NO3AQ, CLAQ\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n CALL CALCR1A\nC\n PSI1 = CNA2SO4\n PSI2 = CNANO3\n PSI3 = CNACL\n PSI4 = CNH4CL\n PSI5 = CNH4NO3\nC\n FRST = .TRUE.\n CALAIN = .TRUE. \n CALAOU = .TRUE. \nC\nC *** CALCULATE WATER **************************************************\nC\n CALL CALCMR\nC\nC *** SETUP LIQUID CONCENTRATIONS **************************************\nC\n HSO4I = ZERO\n NH3AQ = ZERO\n NO3AQ = ZERO\n CLAQ = ZERO\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\n AKW = XKW*RH*WATER*WATER ! H2O <==> H+ \nC\n NAI = WAER(1)\n SO4I = WAER(2)\n NH4I = WAER(3)\n NO3I = WAER(4)\n CLI = WAER(5)\nC\nC SOLUTION ACIDIC OR BASIC?\nC\n GG = 2.D0*WAER(2) + NO3I + CLI - NAI - NH4I\n IF (GG.GT.TINY) THEN ! H+ in excess\n BB =-GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n HI = 0.5D0*(-BB + SQRT(DD))\n OHI= AKW/HI\n ELSE ! OH- in excess\n BB = GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n OHI= 0.5D0*(-BB + SQRT(DD))\n HI = AKW/OHI\n ENDIF\nC\nC UNDISSOCIATED SPECIES EQUILIBRIA\nC\n IF (HI.LT.OHI) THEN\n CALL CALCAMAQ2 (-GG, NH4I, OHI, NH3AQ)\n HI = AKW/OHI\n ELSE\n GGNO3 = MAX(2.D0*SO4I + NO3I - NAI - NH4I, ZERO)\n GGCL = MAX(GG-GGNO3, ZERO)\n IF (GGCL .GT.TINY) CALL CALCCLAQ2 (GGCL, CLI, HI, CLAQ) ! HCl\n IF (GGNO3.GT.TINY) THEN\n IF (GGCL.LE.TINY) HI = ZERO\n CALL CALCNIAQ2 (GGNO3, NO3I, HI, NO3AQ) ! HNO3\n ENDIF\nC\nC CONCENTRATION ADJUSTMENTS ; HSO4 minor species.\nC\n CALL CALCHS4 (HI, SO4I, ZERO, DEL)\n SO4I = SO4I - DEL\n HI = HI - DEL\n HSO4I = DEL\n OHI = AKW/HI\n ENDIF\nC\nC *** SAVE CONCENTRATIONS IN MOLAL ARRAY ******************************\nC\n MOLAL(1) = HI\n MOLAL(2) = NAI\n MOLAL(3) = NH4I\n MOLAL(4) = CLI\n MOLAL(5) = SO4I\n MOLAL(6) = HSO4I\n MOLAL(7) = NO3I\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nccc CALL PUSHERR (0002, 'CALCR6') ! WARNING ERROR: NO CONVERGENCE\nC \nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n20 A2 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2. ! NH3 <==> NH4+\n A3 = XK4 *R*TEMP*(WATER/GAMA(10))**2. ! HNO3 <==> NO3-\n A4 = XK3 *R*TEMP*(WATER/GAMA(11))**2. ! HCL <==> CL-\nC\n GNH3 = NH4I/HI/A2\n GHNO3 = HI*NO3I/A3\n GHCL = HI*CLI /A4\nC\n GASAQ(1) = NH3AQ\n GASAQ(2) = CLAQ\n GASAQ(3) = NO3AQ\nC\n CNH42S4 = ZERO\n CNH4NO3 = ZERO\n CNH4CL = ZERO\n CNACL = ZERO\n CNANO3 = ZERO\n CNA2SO4 = ZERO \nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCR6 ******************************************\nC\n END\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCR5\nC *** CASE R5\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0); SODIUM RICH (SODRAT >= 2.0)\nC 2. LIQUID AND SOLID PHASES ARE POSSIBLE\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCR5\n INCLUDE 'isrpia.inc'\nC\n LOGICAL PSCONV\n DOUBLE PRECISION NH4I, NAI, NO3I, NH3AQ, NO3AQ, CLAQ\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\n LOGICAL NEAN, NEAC, NESN, NESC\nC\nC *** SETUP PARAMETERS ************************************************\nC\n CALL CALCR1A ! DRY SOLUTION\nC\n NEAN = CNH4NO3.LE.TINY ! NH4NO3 ! Water exists?\n NEAC = CNH4CL .LE.TINY ! NH4CL\n NESN = CNANO3 .LE.TINY ! NANO3\n NESC = CNACL .LE.TINY ! NACL\n IF (NEAN .AND. NEAC .AND. NESN .AND. NESC) RETURN\nC\n CHI1 = CNA2SO4\nC\n PSI1 = CNA2SO4\n PSI2 = CNANO3\n PSI3 = CNACL\n PSI4 = CNH4CL\n PSI5 = CNH4NO3\nC\n PSIO =-GREAT\nC\nC *** CALCULATE WATER **************************************************\nC\n CALL CALCMR\nC\n FRST = .TRUE.\n CALAIN = .TRUE. \n CALAOU = .TRUE. \n PSCONV = .FALSE.\nC\nC *** SETUP LIQUID CONCENTRATIONS **************************************\nC\n NAI = WAER(1)\n SO4I = WAER(2)\n NH4I = WAER(3)\n NO3I = WAER(4)\n CLI = WAER(5)\n HSO4I = ZERO\n NH3AQ = ZERO\n NO3AQ = ZERO\n CLAQ = ZERO\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\n A5 = XK5*(WATER/GAMA(2))**3. ! Na2SO4 <==> Na+\n AKW = XKW*RH*WATER*WATER ! H2O <==> H+\nC\nC SODIUM SULFATE\nC\n ROOT = ZERO\n IF (NAI*NAI*SO4I .GT. A5) THEN\n BB =-3.D0*CHI1\n CC = 3.D0*CHI1**2.0\n DD =-CHI1**3.0 + 0.25D0*A5 \n CALL POLY3(BB, CC, DD, ROOT, ISLV)\n IF (ISLV.NE.0) ROOT = TINY\n ROOT = MIN (MAX(ROOT,ZERO), CHI1)\n PSI1 = CHI1-ROOT\n ENDIF\n PSCONV = ABS(PSI1-PSIO) .LE. EPS*PSIO\n PSIO = PSI1\nC\nC ION CONCENTRATIONS\nC\n NAI = WAER(1) - 2.D0*ROOT\n SO4I = WAER(2) - ROOT\n NH4I = WAER(3)\n NO3I = WAER(4)\n CLI = WAER(5)\nC\nC SOLUTION ACIDIC OR BASIC?\nC\n GG = 2.D0*SO4I + NO3I + CLI - NAI - NH4I\n IF (GG.GT.TINY) THEN ! H+ in excess\n BB =-GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n HI = 0.5D0*(-BB + SQRT(DD))\n OHI= AKW/HI\n ELSE ! OH- in excess\n BB = GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n OHI= 0.5D0*(-BB + SQRT(DD))\n HI = AKW/OHI\n ENDIF\nC\nC UNDISSOCIATED SPECIES EQUILIBRIA\nC\n IF (HI.LT.OHI) THEN\n CALL CALCAMAQ2 (-GG, NH4I, OHI, NH3AQ)\n HI = AKW/OHI\n ELSE\n GGNO3 = MAX(2.D0*SO4I + NO3I - NAI - NH4I, ZERO)\n GGCL = MAX(GG-GGNO3, ZERO)\n IF (GGCL .GT.TINY) CALL CALCCLAQ2 (GGCL, CLI, HI, CLAQ) ! HCl\n IF (GGNO3.GT.TINY) THEN\n IF (GGCL.LE.TINY) HI = ZERO\n CALL CALCNIAQ2 (GGNO3, NO3I, HI, NO3AQ) ! HNO3\n ENDIF\nC\nC CONCENTRATION ADJUSTMENTS ; HSO4 minor species.\nC\n CALL CALCHS4 (HI, SO4I, ZERO, DEL)\n SO4I = SO4I - DEL\n HI = HI - DEL\n HSO4I = DEL\n OHI = AKW/HI\n ENDIF\nC\nC *** SAVE CONCENTRATIONS IN MOLAL ARRAY ******************************\nC\n MOLAL(1) = HI\n MOLAL(2) = NAI\n MOLAL(3) = NH4I\n MOLAL(4) = CLI\n MOLAL(5) = SO4I\n MOLAL(6) = HSO4I\n MOLAL(7) = NO3I\nC\nC *** CALCULATE WATER **************************************************\nC\n CALL CALCMR\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n IF (PSCONV) GOTO 20\n ENDIF\n10 CONTINUE\nccc CALL PUSHERR (0002, 'CALCR5') ! WARNING ERROR: NO CONVERGENCE\nC \nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n20 A2 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2. ! NH3 <==> NH4+\nCC A21 = XK21*WATER*R*TEMP\n A3 = XK4 *R*TEMP*(WATER/GAMA(10))**2. ! HNO3 <==> NO3-\n A4 = XK3 *R*TEMP*(WATER/GAMA(11))**2. ! HCL <==> CL-\nC\n GNH3 = NH4I/HI/A2 ! NH4I*OHI/A2/AKW\n GHNO3 = HI*NO3I/A3\n GHCL = HI*CLI /A4\nC\n GASAQ(1) = NH3AQ\n GASAQ(2) = CLAQ\n GASAQ(3) = NO3AQ\nC\n CNH42S4 = ZERO\n CNH4NO3 = ZERO\n CNH4CL = ZERO\n CNACL = ZERO\n CNANO3 = ZERO\n CNA2SO4 = CHI1 - PSI1\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCR5 ******************************************\nC\n END\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCR4\nC *** CASE R4\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; SODIUM RICH (SODRAT >= 2.0)\nC 2. SOLID AEROSOL ONLY\nC 3. SOLIDS POSSIBLE : NH4NO3, NH4CL, NA2SO4, NANO3, NACL\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCR4\n INCLUDE 'isrpia.inc'\n LOGICAL EXAN, EXAC, EXSN, EXSC\n EXTERNAL CALCR1A, CALCR5\nC\nC *** SOLVE FOR DRY CASE AND SEE WHICH SOLIDS ARE POSSIBLE **************\nC\n SCASE = 'R4 ; SUBCASE 2' \n CALL CALCR1A ! SOLID\n SCASE = 'R4 ; SUBCASE 2'\nC \n EXAN = CNH4NO3.GT.TINY ! NH4NO3\n EXAC = CNH4CL .GT.TINY ! NH4CL\n EXSN = CNANO3 .GT.TINY ! NANO3\n EXSC = CNACL .GT.TINY ! NACL\nC\nC *** REGIME DEPENDS ON RELATIVE HUMIDITY AND POSSIBLE SPECIES **********\nC\n IF (EXAN .OR. EXSN .OR. EXSC) THEN ! *** NH4NO3,NANO3 EXIST\n IF (RH.GE.DRMH1) THEN \n SCASE = 'R4 ; SUBCASE 1' \n CALL CALCR4A\n SCASE = 'R4 ; SUBCASE 1'\n ENDIF\nC\n ELSE IF (EXAC) THEN ! *** NH4CL EXISTS ONLY\n IF (RH.GE.DRMR5) THEN \n SCASE = 'R4 ; SUBCASE 3' \n CALL CALCMDRP (RH, DRMR5, DRNH4CL, CALCR1A, CALCR5)\n SCASE = 'R4 ; SUBCASE 3'\n ENDIF\n ENDIF\nC \n RETURN\nC\nC *** END OF SUBROUTINE CALCR4 ******************************************\nC\n END\n\n\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCR4A\nC *** CASE R4A\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0); SODIUM RICH (SODRAT >= 2.0)\nC 2. LIQUID AND SOLID PHASES ARE POSSIBLE\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCR4A\n INCLUDE 'isrpia.inc'\nC\n LOGICAL PSCONV1, PSCONV4\n DOUBLE PRECISION NH4I, NAI, NO3I, NH3AQ, NO3AQ, CLAQ\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n FRST = .TRUE.\n CALAIN = .TRUE. \n CALAOU = .TRUE. \n PSCONV1 = .FALSE.\n PSCONV4 = .FALSE.\n PSIO1 =-GREAT\n PSIO4 =-GREAT\nC\nC *** CALCULATE INITIAL SOLUTION ***************************************\nC\n CALL CALCR1A\nC\n CHI1 = CNA2SO4 ! SALTS\n CHI4 = CNH4CL\nC\n PSI1 = CNA2SO4\n PSI2 = CNANO3\n PSI3 = CNACL\n PSI4 = CNH4CL\n PSI5 = CNH4NO3\nC\n CALL CALCMR ! WATER\nC\n NAI = WAER(1) ! LIQUID CONCENTRATIONS\n SO4I = WAER(2)\n NH4I = WAER(3)\n NO3I = WAER(4)\n CLI = WAER(5)\n HSO4I = ZERO\n NH3AQ = ZERO\n NO3AQ = ZERO\n CLAQ = ZERO\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\n A5 = XK5 *(WATER/GAMA(2))**3. ! Na2SO4 <==> Na+\n A14 = XK14*(WATER/GAMA(6))**2. ! NH4Cl <==> NH4+\n AKW = XKW*RH*WATER*WATER ! H2O <==> H+\nC\nC SODIUM SULFATE\nC\n ROOT = ZERO\n IF (NAI*NAI*SO4I .GT. A5) THEN\n BB =-3.D0*CHI1\n CC = 3.D0*CHI1**2.0\n DD =-CHI1**3.0 + 0.25D0*A5 \n CALL POLY3(BB, CC, DD, ROOT, ISLV)\n IF (ISLV.NE.0) ROOT = TINY\n ROOT = MIN (MAX(ROOT,ZERO), CHI1)\n PSI1 = CHI1-ROOT\n NAI = WAER(1) - 2.D0*ROOT\n SO4I = WAER(2) - ROOT\n ENDIF\n PSCONV1 = ABS(PSI1-PSIO1) .LE. EPS*PSIO1\n PSIO1 = PSI1\nC\nC AMMONIUM CHLORIDE\nC\n ROOT = ZERO\n IF (NH4I*CLI .GT. A14) THEN\n BB =-(NH4I + CLI)\n CC =-A14 + NH4I*CLI\n DD = BB*BB - 4.D0*CC\n ROOT = 0.5D0*(-BB-SQRT(DD)) \n IF (ROOT.GT.TINY) THEN\n ROOT = MIN(ROOT, CHI4)\n PSI4 = CHI4 - ROOT\n NH4I = WAER(3) - ROOT\n CLI = WAER(5) - ROOT\n ENDIF\n ENDIF\n PSCONV4 = ABS(PSI4-PSIO4) .LE. EPS*PSIO4\n PSIO4 = PSI4\nC\n NO3I = WAER(4)\nC\nC SOLUTION ACIDIC OR BASIC?\nC\n GG = 2.D0*SO4I + NO3I + CLI - NAI - NH4I\n IF (GG.GT.TINY) THEN ! H+ in excess\n BB =-GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n HI = 0.5D0*(-BB + SQRT(DD))\n OHI= AKW/HI\n ELSE ! OH- in excess\n BB = GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n OHI= 0.5D0*(-BB + SQRT(DD))\n HI = AKW/OHI\n ENDIF\nC\nC UNDISSOCIATED SPECIES EQUILIBRIA\nC\n IF (HI.LT.OHI) THEN\n CALL CALCAMAQ2 (-GG, NH4I, OHI, NH3AQ)\n HI = AKW/OHI\n ELSE\n GGNO3 = MAX(2.D0*SO4I + NO3I - NAI - NH4I, ZERO)\n GGCL = MAX(GG-GGNO3, ZERO)\n IF (GGCL .GT.TINY) CALL CALCCLAQ2 (GGCL, CLI, HI, CLAQ) ! HCl\n IF (GGNO3.GT.TINY) THEN\n IF (GGCL.LE.TINY) HI = ZERO\n CALL CALCNIAQ2 (GGNO3, NO3I, HI, NO3AQ) ! HNO3\n ENDIF\nC\nC CONCENTRATION ADJUSTMENTS ; HSO4 minor species.\nC\n CALL CALCHS4 (HI, SO4I, ZERO, DEL)\n SO4I = SO4I - DEL\n HI = HI - DEL\n HSO4I = DEL\n OHI = AKW/HI\n ENDIF\nC\nC *** SAVE CONCENTRATIONS IN MOLAL ARRAY ******************************\nC\n MOLAL(1) = HI\n MOLAL(2) = NAI\n MOLAL(3) = NH4I\n MOLAL(4) = CLI\n MOLAL(5) = SO4I\n MOLAL(6) = HSO4I\n MOLAL(7) = NO3I\nC\nC *** CALCULATE WATER **************************************************\nC\n CALL CALCMR\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n IF (PSCONV1 .AND. PSCONV4) GOTO 20\n ENDIF\n10 CONTINUE\nccc CALL PUSHERR (0002, 'CALCR4A') ! WARNING ERROR: NO CONVERGENCE\nC \nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n20 A2 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2. ! NH3 <==> NH4+\n A3 = XK4 *R*TEMP*(WATER/GAMA(10))**2. ! HNO3 <==> NO3-\n A4 = XK3 *R*TEMP*(WATER/GAMA(11))**2. ! HCL <==> CL-\nC\n GNH3 = NH4I/HI/A2\n GHNO3 = HI*NO3I/A3\n GHCL = HI*CLI /A4\nC\n GASAQ(1)= NH3AQ\n GASAQ(2)= CLAQ\n GASAQ(3)= NO3AQ\nC\n CNH42S4 = ZERO\n CNH4NO3 = ZERO\n CNH4CL = CHI4 - PSI4\n CNACL = ZERO\n CNANO3 = ZERO\n CNA2SO4 = CHI1 - PSI1\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCR4A *****************************************\nC\n END\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCR3\nC *** CASE R3\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; SODIUM RICH (SODRAT >= 2.0)\nC 2. SOLID AEROSOL ONLY\nC 3. SOLIDS POSSIBLE : NH4NO3, NH4CL, NA2SO4, NANO3, NACL\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCR3\n INCLUDE 'isrpia.inc'\n LOGICAL EXAN, EXAC, EXSN, EXSC\n EXTERNAL CALCR1A, CALCR4A, CALCR5\nC\nC *** SOLVE FOR DRY CASE AND SEE WHICH SOLIDS ARE POSSIBLE **************\nC\n SCASE = 'R3 ; SUBCASE 2' \n CALL CALCR1A ! SOLID\n SCASE = 'R3 ; SUBCASE 2'\nC \n EXAN = CNH4NO3.GT.TINY ! NH4NO3\n EXAC = CNH4CL .GT.TINY ! NH4CL\n EXSN = CNANO3 .GT.TINY ! NANO3\n EXSC = CNACL .GT.TINY ! NACL\nC\nC *** REGIME DEPENDS ON RELATIVE HUMIDITY AND POSSIBLE SPECIES **********\nC\n IF (EXAN .OR. EXSN) THEN ! *** NH4NO3,NANO3 EXIST\n IF (RH.GE.DRMH1) THEN \n SCASE = 'R3 ; SUBCASE 1' \n CALL CALCR3A\n SCASE = 'R3 ; SUBCASE 1'\n ENDIF\nC\n ELSE IF (.NOT.EXAN .AND. .NOT.EXSN) THEN ! *** NH4NO3,NANO3 = 0\n IF ( EXAC .AND. EXSC) THEN\n IF (RH.GE.DRMR4) THEN \n SCASE = 'R3 ; SUBCASE 3' \n CALL CALCMDRP (RH, DRMR4, DRNACL, CALCR1A, CALCR4A)\n SCASE = 'R3 ; SUBCASE 3'\n ENDIF\n\n ELSE IF (.NOT.EXAC .AND. EXSC) THEN\n IF (RH.GE.DRMR2) THEN \n SCASE = 'R3 ; SUBCASE 4' \n CALL CALCMDRP (RH, DRMR2, DRNACL, CALCR1A, CALCR4A)\n SCASE = 'R3 ; SUBCASE 4'\n ENDIF\n\n ELSE IF ( EXAC .AND. .NOT.EXSC) THEN\n IF (RH.GE.DRMR5) THEN \n SCASE = 'R3 ; SUBCASE 5' \n CALL CALCMDRP (RH, DRMR5, DRNACL, CALCR1A, CALCR5)\n SCASE = 'R3 ; SUBCASE 5'\n ENDIF\n ENDIF\nC\n ENDIF\nC \n RETURN\nC\nC *** END OF SUBROUTINE CALCR3 ******************************************\nC\n END\n\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCR3A\nC *** CASE R3A\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0); SODIUM RICH (SODRAT >= 2.0)\nC 2. LIQUID AND SOLID PHASES ARE POSSIBLE\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCR3A\n INCLUDE 'isrpia.inc'\nC\n LOGICAL PSCONV1, PSCONV3, PSCONV4\n DOUBLE PRECISION NH4I, NAI, NO3I, NH3AQ, NO3AQ, CLAQ\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n FRST =.TRUE.\n CALAIN =.TRUE. \n CALAOU =.TRUE. \n PSCONV1 =.TRUE.\n PSCONV3 =.TRUE.\n PSCONV4 =.TRUE.\n PSI1O =-GREAT\n PSI3O =-GREAT\n PSI4O =-GREAT\n ROOT1 = ZERO\n ROOT2 = ZERO\n ROOT3 = ZERO\nC\nC *** CALCULATE INITIAL SOLUTION ***************************************\nC\n CALL CALCR1A\nC\n CHI1 = CNA2SO4 ! SALTS\n CHI4 = CNH4CL\n CHI3 = CNACL\nC\n PSI1 = CNA2SO4\n PSI2 = CNANO3\n PSI3 = CNACL\n PSI4 = CNH4CL\n PSI5 = CNH4NO3\nC\n CALL CALCMR ! WATER\nC\n NAI = WAER(1) ! LIQUID CONCENTRATIONS\n SO4I = WAER(2)\n NH4I = WAER(3)\n NO3I = WAER(4)\n CLI = WAER(5)\n HSO4I = ZERO\n NH3AQ = ZERO\n NO3AQ = ZERO\n CLAQ = ZERO\nC\n MOLAL(1) = ZERO\n MOLAL(2) = NAI\n MOLAL(3) = NH4I\n MOLAL(4) = CLI\n MOLAL(5) = SO4I\n MOLAL(6) = HSO4I\n MOLAL(7) = NO3I\nC\n CALL CALCACT ! CALCULATE ACTIVITY COEFFICIENTS\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\n A5 = XK5 *(WATER/GAMA(2))**3. ! Na2SO4 <==> Na+\n A8 = XK8 *(WATER/GAMA(1))**2. ! NaCl <==> Na+\n A14 = XK14*(WATER/GAMA(6))**2. ! NH4Cl <==> NH4+\n AKW = XKW*RH*WATER*WATER ! H2O <==> H+\nC\nC AMMONIUM CHLORIDE\nC\n IF (NH4I*CLI .GT. A14) THEN\n BB =-(WAER(3) + WAER(5) - ROOT3)\n CC =-A14 + NH4I*(WAER(5) - ROOT3)\n DD = MAX(BB*BB - 4.D0*CC, ZERO)\n ROOT2A= 0.5D0*(-BB+SQRT(DD)) \n ROOT2B= 0.5D0*(-BB-SQRT(DD)) \n IF (ZERO.LE.ROOT2A) THEN\n ROOT2 = ROOT2A\n ELSE\n ROOT2 = ROOT2B\n ENDIF\n ROOT2 = MIN(MAX(ZERO, ROOT2), MAX(WAER(5)-ROOT3,ZERO), \n & CHI4, WAER(3))\n PSI4 = CHI4 - ROOT2\n ENDIF\n PSCONV4 = ABS(PSI4-PSI4O) .LE. EPS*PSI4O\n PSI4O = PSI4\nC\nC SODIUM SULFATE\nC\n IF (NAI*NAI*SO4I .GT. A5) THEN\n BB =-(CHI1 + WAER(1) - ROOT3)\n CC = 0.25D0*(WAER(1) - ROOT3)*(4.D0*CHI1+WAER(1)-ROOT3)\n DD =-0.25D0*(CHI1*(WAER(1)-ROOT3)**2.D0 - A5) \n CALL POLY3(BB, CC, DD, ROOT1, ISLV)\n IF (ISLV.NE.0) ROOT1 = TINY\n ROOT1 = MIN (MAX(ROOT1,ZERO), MAX(WAER(1)-ROOT3,ZERO), \n & CHI1, WAER(2))\n PSI1 = CHI1-ROOT1\n ENDIF\n PSCONV1 = ABS(PSI1-PSI1O) .LE. EPS*PSI1O\n PSI1O = PSI1\nC\nC ION CONCENTRATIONS\nC\n NAI = WAER(1) - (2.D0*ROOT1 + ROOT3)\n SO4I= WAER(2) - ROOT1\n NH4I= WAER(3) - ROOT2\n CLI = WAER(5) - (ROOT3 + ROOT2)\n NO3I= WAER(4)\nC\nC SODIUM CHLORIDE ; To obtain new value for ROOT3\nC\n IF (NAI*CLI .GT. A8) THEN\n BB =-((CHI1-2.D0*ROOT1) + (WAER(5) - ROOT2))\n CC = (CHI1-2.D0*ROOT1)*(WAER(5) - ROOT2) - A8\n DD = SQRT(MAX(BB*BB - 4.D0*CC, TINY))\n ROOT3A= 0.5D0*(-BB-SQRT(DD)) \n ROOT3B= 0.5D0*(-BB+SQRT(DD)) \n IF (ZERO.LE.ROOT3A) THEN\n ROOT3 = ROOT3A\n ELSE\n ROOT3 = ROOT3B\n ENDIF\n ROOT3 = MIN(MAX(ROOT3, ZERO), CHI3)\n PSI3 = CHI3-ROOT3\n ENDIF\n PSCONV3 = ABS(PSI3-PSI3O) .LE. EPS*PSI3O\n PSI3O = PSI3\nC\nC SOLUTION ACIDIC OR BASIC?\nC\n GG = 2.D0*SO4I + NO3I + CLI - NAI - NH4I\n IF (GG.GT.TINY) THEN ! H+ in excess\n BB =-GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n HI = 0.5D0*(-BB + SQRT(DD))\n OHI= AKW/HI\n ELSE ! OH- in excess\n BB = GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n OHI= 0.5D0*(-BB + SQRT(DD))\n HI = AKW/OHI\n ENDIF\nC\nC UNDISSOCIATED SPECIES EQUILIBRIA\nC\n IF (HI.LT.OHI) THEN\n CALL CALCAMAQ2 (-GG, NH4I, OHI, NH3AQ)\n HI = AKW/OHI\n ELSE\n GGNO3 = MAX(2.D0*SO4I + NO3I - NAI - NH4I, ZERO)\n GGCL = MAX(GG-GGNO3, ZERO)\n IF (GGCL .GT.TINY) CALL CALCCLAQ2 (GGCL, CLI, HI, CLAQ) ! HCl\n IF (GGNO3.GT.TINY) THEN\n IF (GGCL.LE.TINY) HI = ZERO\n CALL CALCNIAQ2 (GGNO3, NO3I, HI, NO3AQ) ! HNO3\n ENDIF\nC\nC CONCENTRATION ADJUSTMENTS ; HSO4 minor species.\nC\n CALL CALCHS4 (HI, SO4I, ZERO, DEL)\n SO4I = SO4I - DEL\n HI = HI - DEL\n HSO4I = DEL\n OHI = AKW/HI\n ENDIF\nC\nC *** SAVE CONCENTRATIONS IN MOLAL ARRAY ******************************\nC\n MOLAL(1) = HI\n MOLAL(2) = NAI\n MOLAL(3) = NH4I\n MOLAL(4) = CLI\n MOLAL(5) = SO4I\n MOLAL(6) = HSO4I\n MOLAL(7) = NO3I\nC\nC *** CALCULATE WATER **************************************************\nC\n CALL CALCMR\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n IF (PSCONV1.AND.PSCONV3.AND.PSCONV4) GOTO 20\n ENDIF\n10 CONTINUE\nccc CALL PUSHERR (0002, 'CALCR3A') ! WARNING ERROR: NO CONVERGENCE\nC \nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n20 IF (CLI.LE.TINY .AND. WAER(5).GT.TINY) THEN !No disslv Cl-;solid only\n DO 30 I=1,NIONS\n MOLAL(I) = ZERO\n30 CONTINUE\n DO 40 I=1,NGASAQ\n GASAQ(I) = ZERO\n40 CONTINUE\n CALL CALCR1A\n ELSE\n A2 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2. ! NH3 <==> NH4+\n A3 = XK4 *R*TEMP*(WATER/GAMA(10))**2. ! HNO3 <==> NO3-\n A4 = XK3 *R*TEMP*(WATER/GAMA(11))**2. ! HCL <==> CL-\nC\n GNH3 = NH4I/HI/A2\n GHNO3 = HI*NO3I/A3\n GHCL = HI*CLI /A4\nC\n GASAQ(1)= NH3AQ\n GASAQ(2)= CLAQ\n GASAQ(3)= NO3AQ\nC\n CNH42S4 = ZERO\n CNH4NO3 = ZERO\n CNH4CL = CHI4 - PSI4\n CNACL = CHI3 - PSI3\n CNANO3 = ZERO\n CNA2SO4 = CHI1 - PSI1\n ENDIF\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCR3A *****************************************\nC\n END\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCR2\nC *** CASE R2\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; SODIUM RICH (SODRAT >= 2.0)\nC 2. SOLID AEROSOL ONLY\nC 3. SOLIDS POSSIBLE : NH4NO3, NH4CL, NA2SO4, NANO3, NACL\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCR2\n INCLUDE 'isrpia.inc'\n LOGICAL EXAN, EXAC, EXSN, EXSC\n EXTERNAL CALCR1A, CALCR3A, CALCR4A, CALCR5\nC\nC *** SOLVE FOR DRY CASE AND SEE WHICH SOLIDS ARE POSSIBLE **************\nC\n SCASE = 'R2 ; SUBCASE 2' \n CALL CALCR1A ! SOLID\n SCASE = 'R2 ; SUBCASE 2'\nC \n EXAN = CNH4NO3.GT.TINY ! NH4NO3\n EXAC = CNH4CL .GT.TINY ! NH4CL\n EXSN = CNANO3 .GT.TINY ! NANO3\n EXSC = CNACL .GT.TINY ! NACL\nC\nC *** REGIME DEPENDS ON RELATIVE HUMIDITY AND POSSIBLE SPECIES **********\nC\n IF (EXAN) THEN ! *** NH4NO3 EXISTS\n IF (RH.GE.DRMH1) THEN \n SCASE = 'R2 ; SUBCASE 1' \n CALL CALCR2A\n SCASE = 'R2 ; SUBCASE 1'\n ENDIF\nC\n ELSE IF (.NOT.EXAN) THEN ! *** NH4NO3 = 0\n IF ( EXAC .AND. EXSN .AND. EXSC) THEN\n IF (RH.GE.DRMH2) THEN \n SCASE = 'R2 ; SUBCASE 3' \n CALL CALCMDRP (RH, DRMH2, DRNANO3, CALCR1A, CALCR3A)\n SCASE = 'R2 ; SUBCASE 3'\n ENDIF\n\n ELSE IF (.NOT.EXAC .AND. EXSN .AND. EXSC) THEN\n IF (RH.GE.DRMR1) THEN \n SCASE = 'R2 ; SUBCASE 4' \n CALL CALCMDRP (RH, DRMR1, DRNANO3, CALCR1A, CALCR3A)\n SCASE = 'R2 ; SUBCASE 4'\n ENDIF\n\n ELSE IF (.NOT.EXAC .AND. .NOT.EXSN .AND. EXSC) THEN\n IF (RH.GE.DRMR2) THEN \n SCASE = 'R2 ; SUBCASE 5' \n CALL CALCMDRP (RH, DRMR2, DRNACL, CALCR1A, CALCR4A)\n SCASE = 'R2 ; SUBCASE 5'\n ENDIF\n\n ELSE IF (.NOT.EXAC .AND. EXSN .AND. .NOT.EXSC) THEN\n IF (RH.GE.DRMR3) THEN \n SCASE = 'R2 ; SUBCASE 6' \n CALL CALCMDRP (RH, DRMR3, DRNANO3, CALCR1A, CALCR3A)\n SCASE = 'R2 ; SUBCASE 6'\n ENDIF\n\n ELSE IF ( EXAC .AND. .NOT.EXSN .AND. EXSC) THEN\n IF (RH.GE.DRMR4) THEN \n SCASE = 'R2 ; SUBCASE 7' \n CALL CALCMDRP (RH, DRMR4, DRNACL, CALCR1A, CALCR4A)\n SCASE = 'R2 ; SUBCASE 7'\n ENDIF\n\n ELSE IF ( EXAC .AND. .NOT.EXSN .AND. .NOT.EXSC) THEN\n IF (RH.GE.DRMR5) THEN \n SCASE = 'R2 ; SUBCASE 8' \n CALL CALCMDRP (RH, DRMR5, DRNH4CL, CALCR1A, CALCR5)\n SCASE = 'R2 ; SUBCASE 8'\n ENDIF\n\n ELSE IF ( EXAC .AND. EXSN .AND. .NOT.EXSC) THEN\n IF (RH.GE.DRMR6) THEN \n SCASE = 'R2 ; SUBCASE 9' \n CALL CALCMDRP (RH, DRMR6, DRNANO3, CALCR1A, CALCR3A)\n SCASE = 'R2 ; SUBCASE 9'\n ENDIF\n ENDIF\nC\n ENDIF\nC \n RETURN\nC\nC *** END OF SUBROUTINE CALCR2 ******************************************\nC\n END\n\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCR2A\nC *** CASE R2A\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0); SODIUM RICH (SODRAT >= 2.0)\nC 2. LIQUID AND SOLID PHASES ARE POSSIBLE\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCR2A\n INCLUDE 'isrpia.inc'\nC\n LOGICAL PSCONV1, PSCONV2, PSCONV3, PSCONV4\n DOUBLE PRECISION NH4I, NAI, NO3I, NH3AQ, NO3AQ, CLAQ\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n FRST =.TRUE.\n CALAIN =.TRUE. \n CALAOU =.TRUE.\nC \n PSCONV1 =.TRUE.\n PSCONV2 =.TRUE.\n PSCONV3 =.TRUE.\n PSCONV4 =.TRUE.\nC\n PSI1O =-GREAT\n PSI2O =-GREAT\n PSI3O =-GREAT\n PSI4O =-GREAT\nC\n ROOT1 = ZERO\n ROOT2 = ZERO\n ROOT3 = ZERO\n ROOT4 = ZERO\nC\nC *** CALCULATE INITIAL SOLUTION ***************************************\nC\n CALL CALCR1A\nC\n CHI1 = CNA2SO4 ! SALTS\n CHI2 = CNANO3\n CHI3 = CNACL\n CHI4 = CNH4CL\nC\n PSI1 = CNA2SO4\n PSI2 = CNANO3\n PSI3 = CNACL\n PSI4 = CNH4CL\n PSI5 = CNH4NO3\nC\n CALL CALCMR ! WATER\nC\n NAI = WAER(1) ! LIQUID CONCENTRATIONS\n SO4I = WAER(2)\n NH4I = WAER(3)\n NO3I = WAER(4)\n CLI = WAER(5)\n HSO4I = ZERO\n NH3AQ = ZERO\n NO3AQ = ZERO\n CLAQ = ZERO\nC\n MOLAL(1) = ZERO\n MOLAL(2) = NAI\n MOLAL(3) = NH4I\n MOLAL(4) = CLI\n MOLAL(5) = SO4I\n MOLAL(6) = HSO4I\n MOLAL(7) = NO3I\nC\n CALL CALCACT ! CALCULATE ACTIVITY COEFFICIENTS\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\n A5 = XK5 *(WATER/GAMA(2))**3. ! Na2SO4 <==> Na+\n A8 = XK8 *(WATER/GAMA(1))**2. ! NaCl <==> Na+\n A9 = XK9 *(WATER/GAMA(3))**2. ! NaNO3 <==> Na+\n A14 = XK14*(WATER/GAMA(6))**2. ! NH4Cl <==> NH4+\n AKW = XKW*RH*WATER*WATER ! H2O <==> H+\nC\nC AMMONIUM CHLORIDE\nC\n IF (NH4I*CLI .GT. A14) THEN\n BB =-(WAER(3) + WAER(5) - ROOT3)\n CC = NH4I*(WAER(5) - ROOT3) - A14\n DD = MAX(BB*BB - 4.D0*CC, ZERO)\n DD = SQRT(DD)\n ROOT2A= 0.5D0*(-BB+DD) \n ROOT2B= 0.5D0*(-BB-DD) \n IF (ZERO.LE.ROOT2A) THEN\n ROOT2 = ROOT2A\n ELSE\n ROOT2 = ROOT2B\n ENDIF\n ROOT2 = MIN(MAX(ROOT2, ZERO), CHI4)\n PSI4 = CHI4 - ROOT2\n ENDIF\n PSCONV4 = ABS(PSI4-PSI4O) .LE. EPS*PSI4O\n PSI4O = PSI4\nC\nC SODIUM SULFATE\nC\n IF (NAI*NAI*SO4I .GT. A5) THEN\n BB =-(WAER(2) + WAER(1) - ROOT3 - ROOT4)\n CC = WAER(1)*(2.D0*ROOT3 + 2.D0*ROOT4 - 4.D0*WAER(2) - ONE)\n & -(ROOT3 + ROOT4)**2.0 + 4.D0*WAER(2)*(ROOT3 + ROOT4)\n CC =-0.25*CC\n DD = WAER(1)*WAER(2)*(ONE - 2.D0*ROOT3 - 2.D0*ROOT4) +\n & WAER(2)*(ROOT3 + ROOT4)**2.0 - A5\n DD =-0.25*DD\n CALL POLY3(BB, CC, DD, ROOT1, ISLV)\n IF (ISLV.NE.0) ROOT1 = TINY\n ROOT1 = MIN (MAX(ROOT1,ZERO), CHI1)\n PSI1 = CHI1-ROOT1\n ENDIF\n PSCONV1 = ABS(PSI1-PSI1O) .LE. EPS*PSI1O\n PSI1O = PSI1\nC\nC SODIUM NITRATE\nC\n IF (NAI*NO3I .GT. A9) THEN\n BB =-(WAER(4) + WAER(1) - 2.D0*ROOT1 - ROOT3)\n CC = WAER(4)*(WAER(1) - 2.D0*ROOT1 - ROOT3) - A9\n DD = SQRT(MAX(BB*BB - 4.D0*CC, TINY))\n ROOT4A= 0.5D0*(-BB-DD) \n ROOT4B= 0.5D0*(-BB+DD) \n IF (ZERO.LE.ROOT4A) THEN\n ROOT4 = ROOT4A\n ELSE\n ROOT4 = ROOT4B\n ENDIF\n ROOT4 = MIN(MAX(ROOT4, ZERO), CHI2)\n PSI2 = CHI2-ROOT4\n ENDIF\n PSCONV2 = ABS(PSI2-PSI2O) .LE. EPS*PSI2O\n PSI2O = PSI2\nC\nC ION CONCENTRATIONS\nC\n NAI = WAER(1) - (2.D0*ROOT1 + ROOT3 + ROOT4)\n SO4I= WAER(2) - ROOT1\n NH4I= WAER(3) - ROOT2\n NO3I= WAER(4) - ROOT4\n CLI = WAER(5) - (ROOT3 + ROOT2)\nC\nC SODIUM CHLORIDE ; To obtain new value for ROOT3\nC\n IF (NAI*CLI .GT. A8) THEN\n BB =-(WAER(1) - 2.D0*ROOT1 + WAER(5) - ROOT2 - ROOT4)\n CC = (WAER(5) + ROOT2)*(WAER(1) - 2.D0*ROOT1 - ROOT4) - A8\n DD = SQRT(MAX(BB*BB - 4.D0*CC, TINY))\n ROOT3A= 0.5D0*(-BB-DD) \n ROOT3B= 0.5D0*(-BB+DD) \n IF (ZERO.LE.ROOT3A) THEN\n ROOT3 = ROOT3A\n ELSE\n ROOT3 = ROOT3B\n ENDIF\n ROOT3 = MIN(MAX(ROOT3, ZERO), CHI3)\n PSI3 = CHI3-ROOT3\n ENDIF\n PSCONV3 = ABS(PSI3-PSI3O) .LE. EPS*PSI3O\n PSI3O = PSI3\nC\nC SOLUTION ACIDIC OR BASIC?\nC\n GG = 2.D0*SO4I + NO3I + CLI - NAI - NH4I\n IF (GG.GT.TINY) THEN ! H+ in excess\n BB =-GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n HI = 0.5D0*(-BB + SQRT(DD))\n OHI= AKW/HI\n ELSE ! OH- in excess\n BB = GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n OHI= 0.5D0*(-BB + SQRT(DD))\n HI = AKW/OHI\n ENDIF\nC\nC UNDISSOCIATED SPECIES EQUILIBRIA\nC\n IF (HI.LT.OHI) THEN\n CALL CALCAMAQ2 (-GG, NH4I, OHI, NH3AQ)\n HI = AKW/OHI\n ELSE\n GGNO3 = MAX(2.D0*SO4I + NO3I - NAI - NH4I, ZERO)\n GGCL = MAX(GG-GGNO3, ZERO)\n IF (GGCL .GT.TINY) CALL CALCCLAQ2 (GGCL, CLI, HI, CLAQ) ! HCl\n IF (GGNO3.GT.TINY) THEN\n IF (GGCL.LE.TINY) HI = ZERO\n CALL CALCNIAQ2 (GGNO3, NO3I, HI, NO3AQ) ! HNO3\n ENDIF\nC\nC CONCENTRATION ADJUSTMENTS ; HSO4 minor species.\nC\n CALL CALCHS4 (HI, SO4I, ZERO, DEL)\n SO4I = SO4I - DEL\n HI = HI - DEL\n HSO4I = DEL\n OHI = AKW/HI\n ENDIF\nC\nC *** SAVE CONCENTRATIONS IN MOLAL ARRAY ******************************\nC\n MOLAL(1) = HI\n MOLAL(2) = NAI\n MOLAL(3) = NH4I\n MOLAL(4) = CLI\n MOLAL(5) = SO4I\n MOLAL(6) = HSO4I\n MOLAL(7) = NO3I\nC\nC *** CALCULATE WATER **************************************************\nC\n CALL CALCMR\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n IF (PSCONV1.AND.PSCONV2.AND.PSCONV3.AND.PSCONV4) GOTO 20\n ENDIF \n10 CONTINUE\nccc CALL PUSHERR (0002, 'CALCR2A') ! WARNING ERROR: NO CONVERGENCE\nC \nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n20 IF (CLI.LE.TINY .AND. WAER(5).GT.TINY) THEN !No disslv Cl-;solid only\n DO 30 I=1,NIONS\n MOLAL(I) = ZERO\n30 CONTINUE\n DO 40 I=1,NGASAQ\n GASAQ(I) = ZERO\n40 CONTINUE\n CALL CALCR1A\n ELSE ! OK, aqueous phase present\n A2 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2. ! NH3 <==> NH4+\n A3 = XK4 *R*TEMP*(WATER/GAMA(10))**2. ! HNO3 <==> NO3-\n A4 = XK3 *R*TEMP*(WATER/GAMA(11))**2. ! HCL <==> CL-\nC\n GNH3 = NH4I/HI/A2\n GHNO3 = HI*NO3I/A3\n GHCL = HI*CLI /A4\nC\n GASAQ(1)= NH3AQ\n GASAQ(2)= CLAQ\n GASAQ(3)= NO3AQ\nC\n CNH42S4 = ZERO\n CNH4NO3 = ZERO\n CNH4CL = CHI4 - PSI4\n CNACL = CHI3 - PSI3\n CNANO3 = CHI2 - PSI2\n CNA2SO4 = CHI1 - PSI1\n ENDIF\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCR2A *****************************************\nC\n END\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCR1\nC *** CASE R1\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; SODIUM RICH (SODRAT >= 2.0)\nC 2. SOLID AEROSOL ONLY\nC 3. SOLIDS POSSIBLE : NH4NO3, NH4CL, NA2SO4, NANO3, NACL\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCR1\n INCLUDE 'isrpia.inc'\n LOGICAL EXAN, EXAC, EXSN, EXSC\n EXTERNAL CALCR1A, CALCR2A, CALCR3A, CALCR4A, CALCR5\nC\nC *** SOLVE FOR DRY CASE AND SEE WHICH SOLIDS ARE POSSIBLE **************\nC\n SCASE = 'R1 ; SUBCASE 1' \n CALL CALCR1A ! SOLID\n SCASE = 'R1 ; SUBCASE 1'\nC \n EXAN = CNH4NO3.GT.TINY ! NH4NO3\n EXAC = CNH4CL .GT.TINY ! NH4CL\n EXSN = CNANO3 .GT.TINY ! NANO3\n EXSC = CNACL .GT.TINY ! NACL\nC\nC *** REGIME DEPENDS ON RELATIVE HUMIDITY AND POSSIBLE SPECIES **********\nC\n IF (EXAN.AND.EXAC.AND.EXSC.AND.EXSN) THEN ! *** ALL EXIST\n IF (RH.GE.DRMH1) THEN \n SCASE = 'R1 ; SUBCASE 2' ! MDRH\n CALL CALCMDRP (RH, DRMH1, DRNH4NO3, CALCR1A, CALCR2A)\n SCASE = 'R1 ; SUBCASE 2'\n ENDIF\nC\n ELSE IF (.NOT.EXAN) THEN ! *** NH4NO3 = 0\n IF ( EXAC .AND. EXSN .AND. EXSC) THEN\n IF (RH.GE.DRMH2) THEN \n SCASE = 'R1 ; SUBCASE 3' \n CALL CALCMDRP (RH, DRMH2, DRNANO3, CALCR1A, CALCR3A)\n SCASE = 'R1 ; SUBCASE 3'\n ENDIF\n\n ELSE IF (.NOT.EXAC .AND. EXSN .AND. EXSC) THEN\n IF (RH.GE.DRMR1) THEN \n SCASE = 'R1 ; SUBCASE 4' \n CALL CALCMDRP (RH, DRMR1, DRNANO3, CALCR1A, CALCR3A)\n SCASE = 'R1 ; SUBCASE 4'\n ENDIF\n\n ELSE IF (.NOT.EXAC .AND. .NOT.EXSN .AND. EXSC) THEN\n IF (RH.GE.DRMR2) THEN \n SCASE = 'R1 ; SUBCASE 5' \n CALL CALCMDRP (RH, DRMR2, DRNACL, CALCR1A, CALCR3A) !, CALCR4A)\n SCASE = 'R1 ; SUBCASE 5'\n ENDIF\n\n ELSE IF (.NOT.EXAC .AND. EXSN .AND. .NOT.EXSC) THEN\n IF (RH.GE.DRMR3) THEN \n SCASE = 'R1 ; SUBCASE 6' \n CALL CALCMDRP (RH, DRMR3, DRNANO3, CALCR1A, CALCR3A)\n SCASE = 'R1 ; SUBCASE 6'\n ENDIF\n\n ELSE IF ( EXAC .AND. .NOT.EXSN .AND. EXSC) THEN\n IF (RH.GE.DRMR4) THEN \n SCASE = 'R1 ; SUBCASE 7' \n CALL CALCMDRP (RH, DRMR4, DRNACL, CALCR1A, CALCR3A) !, CALCR4A)\n SCASE = 'R1 ; SUBCASE 7'\n ENDIF\n\n ELSE IF ( EXAC .AND. .NOT.EXSN .AND. .NOT.EXSC) THEN\n IF (RH.GE.DRMR5) THEN \n SCASE = 'R1 ; SUBCASE 8' \n CALL CALCMDRP (RH, DRMR5, DRNH4CL, CALCR1A, CALCR3A) !, CALCR5)\n SCASE = 'R1 ; SUBCASE 8'\n ENDIF\n\n ELSE IF ( EXAC .AND. EXSN .AND. .NOT.EXSC) THEN\n IF (RH.GE.DRMR6) THEN \n SCASE = 'R1 ; SUBCASE 9' \n CALL CALCMDRP (RH, DRMR6, DRNANO3, CALCR1A, CALCR3A)\n SCASE = 'R1 ; SUBCASE 9'\n ENDIF\n ENDIF\nC\n ELSE IF (.NOT.EXAC) THEN ! *** NH4CL = 0\n IF ( EXAN .AND. EXSN .AND. EXSC) THEN\n IF (RH.GE.DRMR7) THEN \n SCASE = 'R1 ; SUBCASE 10' \n CALL CALCMDRP (RH, DRMR7, DRNH4NO3, CALCR1A, CALCR2A)\n SCASE = 'R1 ; SUBCASE 10'\n ENDIF\n\n ELSE IF ( EXAN .AND. .NOT.EXSN .AND. EXSC) THEN\n IF (RH.GE.DRMR8) THEN \n SCASE = 'R1 ; SUBCASE 11' \n CALL CALCMDRP (RH, DRMR8, DRNH4NO3, CALCR1A, CALCR2A)\n SCASE = 'R1 ; SUBCASE 11'\n ENDIF\n\n ELSE IF ( EXAN .AND. .NOT.EXSN .AND. .NOT.EXSC) THEN\n IF (RH.GE.DRMR9) THEN \n SCASE = 'R1 ; SUBCASE 12' \n CALL CALCMDRP (RH, DRMR9, DRNH4NO3, CALCR1A, CALCR2A)\n SCASE = 'R1 ; SUBCASE 12'\n ENDIF\n\n ELSE IF ( EXAN .AND. EXSN .AND. .NOT.EXSC) THEN\n IF (RH.GE.DRMR10) THEN \n SCASE = 'R1 ; SUBCASE 13' \n CALL CALCMDRP (RH, DRMR10, DRNH4NO3, CALCR1A, CALCR2A)\n SCASE = 'R1 ; SUBCASE 13'\n ENDIF\n ENDIF\nC\n ELSE IF (.NOT.EXSN) THEN ! *** NANO3 = 0\n IF ( EXAN .AND. EXAC .AND. EXSC) THEN\n IF (RH.GE.DRMR11) THEN \n SCASE = 'R1 ; SUBCASE 14' \n CALL CALCMDRP (RH, DRMR11, DRNH4NO3, CALCR1A, CALCR2A)\n SCASE = 'R1 ; SUBCASE 14'\n ENDIF\n\n ELSE IF ( EXAN .AND. EXAC .AND. .NOT.EXSC) THEN\n IF (RH.GE.DRMR12) THEN \n SCASE = 'R1 ; SUBCASE 15' \n CALL CALCMDRP (RH, DRMR12, DRNH4NO3, CALCR1A, CALCR2A)\n SCASE = 'R1 ; SUBCASE 15'\n ENDIF\n ENDIF\nC\n ELSE IF (.NOT.EXSC) THEN ! *** NACL = 0\n IF ( EXAN .AND. EXAC .AND. EXSN) THEN\n IF (RH.GE.DRMR13) THEN \n SCASE = 'R1 ; SUBCASE 16' \n CALL CALCMDRP (RH, DRMR13, DRNH4NO3, CALCR1A, CALCR2A)\n SCASE = 'R1 ; SUBCASE 16'\n ENDIF\n ENDIF\n ENDIF\nC \n RETURN\nC\nC *** END OF SUBROUTINE CALCR1 ******************************************\nC\n END\n\n\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCR1A\nC *** CASE R1 ; SUBCASE 1\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; SODIUM RICH (SODRAT >= 2.0)\nC 2. SOLID AEROSOL ONLY\nC 3. SOLIDS POSSIBLE : NH4NO3, NH4CL, NANO3, NA2SO4, NANO3, NACL\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCR1A\n INCLUDE 'isrpia.inc'\nC\nC *** CALCULATE SOLIDS **************************************************\nC\n CNA2SO4 = WAER(2)\n FRNA = MAX (WAER(1)-2*CNA2SO4, ZERO)\nC\n CNH42S4 = ZERO\nC\n CNANO3 = MIN (FRNA, WAER(4))\n FRNO3 = MAX (WAER(4)-CNANO3, ZERO)\n FRNA = MAX (FRNA-CNANO3, ZERO)\nC\n CNACL = MIN (FRNA, WAER(5))\n FRCL = MAX (WAER(5)-CNACL, ZERO)\n FRNA = MAX (FRNA-CNACL, ZERO)\nC\n CNH4NO3 = MIN (FRNO3, WAER(3))\n FRNO3 = MAX (FRNO3-CNH4NO3, ZERO)\n FRNH3 = MAX (WAER(3)-CNH4NO3, ZERO)\nC\n CNH4CL = MIN (FRCL, FRNH3)\n FRCL = MAX (FRCL-CNH4CL, ZERO)\n FRNH3 = MAX (FRNH3-CNH4CL, ZERO)\nC\nC *** OTHER PHASES ******************************************************\nC\n WATER = ZERO\nC\n GNH3 = ZERO\n GHNO3 = ZERO\n GHCL = ZERO\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCR1A *****************************************\nC\n END\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCV7\nC *** CASE V7\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SO4RAT > 2.0), Cr+NA poor (CRNARAT < 2)\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCV7\n INCLUDE 'isrpia.inc'\nC\n DOUBLE PRECISION NH4I, NAI, NO3I, NH3AQ, NO3AQ, CLAQ, CAI, KI, MGI\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n FRST =.TRUE.\n CALAIN =.TRUE.\n CALAOU =.TRUE.\nC\nC *** CALCULATE INITIAL SOLUTION ***************************************\nC\n CALL CALCV1A\nC\n CHI9 = CCASO4\nC\n PSI1 = CNA2SO4 ! SALTS DISSOLVED\n PSI4 = CNH4CL\n PSI5 = CNH4NO3\n PSI6 = CNH42S4\n PSI7 = CK2SO4\n PSI8 = CMGSO4\n PSI9 = CCASO4\nC\n CALL CALCMR ! WATER\nC\n NH3AQ = ZERO\n NO3AQ = ZERO\n CLAQ = ZERO\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n AKW = XKW*RH*WATER*WATER ! H2O <==> H+\nC\nC ION CONCENTRATIONS\nC\n NAI = WAER(1)\n SO4I = MAX (WAER(2) - WAER(6), ZERO)\n NH4I = WAER(3)\n NO3I = WAER(4)\n CLI = WAER(5)\n CAI = ZERO\n KI = WAER(7)\n MGI = WAER(8)\nC\nC SOLUTION ACIDIC OR BASIC?\nC\n GG = 2.D0*SO4I + NO3I + CLI - NAI - NH4I\n & - 2.D0*CAI - KI - 2.D0*MGI\n IF (GG.GT.TINY) THEN ! H+ in excess\n BB =-GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n HI = 0.5D0*(-BB + SQRT(DD))\n OHI= AKW/HI\n ELSE ! OH- in excess\n BB = GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n OHI= 0.5D0*(-BB + SQRT(DD))\n HI = AKW/OHI\n ENDIF\n\nC\nC UNDISSOCIATED SPECIES EQUILIBRIA\nC\n IF (HI.GT.OHI) THEN\nC CALL CALCAMAQ2 (-GG, NH4I, OHI, NH3AQ)\nC HI = AKW/OHI\nC HSO4I = ZERO\nC ELSE\nC GGNO3 = MAX(2.D0*SO4I + NO3I - NAI - NH4I - 2.D0*CAI\nC & - KI - 2.D0*MGI, ZERO)\nC GGCL = MAX(GG-GGNO3, ZERO)\nC IF (GGCL .GT.TINY) CALL CALCCLAQ2 (GGCL, CLI, HI, CLAQ) ! HCl\nC IF (GGNO3.GT.TINY) THEN\nC IF (GGCL.LE.TINY) HI = ZERO\nC CALL CALCNIAQ2 (GGNO3, NO3I, HI, NO3AQ) ! HNO3\nC ENDIF\nC\nC CONCENTRATION ADJUSTMENTS ; HSO4 minor species.\nC\n CALL CALCHS4 (HI, SO4I, ZERO, DEL)\n else\n del= zero\n ENDIF\n SO4I = SO4I - DEL\n HI = HI - DEL\n HSO4I = DEL\nC IF (HI.LE.TINY) HI = SQRT(AKW)\n OHI = AKW/HI\nC\n IF (HI.LE.TINY) THEN\n HI = SQRT(AKW)\n OHI = AKW/HI\n ENDIF\nC\nC *** SAVE CONCENTRATIONS IN MOLAL ARRAY ******************************\nC\n MOLAL(1) = HI\n MOLAL(2) = NAI\n MOLAL(3) = NH4I\n MOLAL(4) = CLI\n MOLAL(5) = SO4I\n MOLAL(6) = HSO4I\n MOLAL(7) = NO3I\n MOLAL(8) = CAI\n MOLAL(9) = KI\n MOLAL(10)= MGI\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nccc CALL PUSHERR (0002, 'CALCV7') ! WARNING ERROR: NO CONVERGENCE\nC\nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n20 A2 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2. ! NH3 <==> NH4+\n A3 = XK4 *R*TEMP*(WATER/GAMA(10))**2. ! HNO3 <==> NO3-\n A4 = XK3 *R*TEMP*(WATER/GAMA(11))**2. ! HCL <==> CL-\nC\n GNH3 = NH4I/HI/A2\n GHNO3 = HI*NO3I/A3\n GHCL = HI*CLI /A4\nC\n GASAQ(1)= NH3AQ\n GASAQ(2)= CLAQ\n GASAQ(3)= NO3AQ\nC\n CNH42S4 = ZERO\n CNH4NO3 = ZERO\n CNH4CL = ZERO\n CNA2SO4 = ZERO\n CMGSO4 = ZERO\n CK2SO4 = ZERO\n CCASO4 = MIN (WAER(6), WAER(2))\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCV7 ******************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCV6\nC *** CASE V6\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SO4RAT > 2.0), Cr+NA poor (CRNARAT < 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : K2SO4, CASO4\nC 4. Completely dissolved: NH4NO3, NH4CL, (NH4)2SO4, MGSO4, NA2SO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCV6\n INCLUDE 'isrpia.inc'\nC\n LOGICAL PSCONV7\n DOUBLE PRECISION NH4I, NAI, NO3I, NH3AQ, NO3AQ, CLAQ, CAI, KI, MGI\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n FRST =.TRUE.\n CALAIN =.TRUE.\n CALAOU =.TRUE.\nC\n PSCONV7 =.TRUE.\n PSI70 =-GREAT ! GREAT = 1.D10\n ROOT7 = ZERO\nC\nC *** CALCULATE INITIAL SOLUTION ***************************************\nC\n CALL CALCV1A\nC\n CHI9 = CCASO4\n CHI7 = CK2SO4 ! SALTS\nC\n PSI1 = CNA2SO4 ! AMOUNT DISSOLVED\n PSI4 = CNH4CL\n PSI5 = CNH4NO3\n PSI6 = CNH42S4\n PSI7 = CK2SO4\n PSI8 = CMGSO4\n PSI9 = CCASO4\nC\n CALL CALCMR ! WATER\nC\n NAI = WAER(1) ! LIQUID CONCENTRATIONS\n SO4I = MAX (WAER(2) - WAER(6), ZERO)\n NH4I = WAER(3)\n NO3I = WAER(4)\n CLI = WAER(5)\n CAI = WAER(6)\n KI = WAER(7)\n MGI = WAER(8)\nC\n HSO4I = ZERO\n NH3AQ = ZERO\n NO3AQ = ZERO\n CLAQ = ZERO\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A7 = XK17 *(WATER/GAMA(17))**3.0 ! K2SO4 <==> K+\n AKW = XKW*RH*WATER*WATER ! H2O <==> H+\nC\nC POTASSIUM SULFATE\nC\n IF (KI*KI*SO4I .GT. A7) THEN\n BB =-((WAER(2)-WAER(6)) + WAER(7))\n CC = WAER(7)*(WAER(2)-WAER(6)) + 0.25D0*WAER(7)*WAER(7)\n DD =-0.25*(WAER(7)*WAER(7)*WAER(2) - A7)\n CALL POLY3(BB, CC, DD, ROOT7, ISLV)\n IF (ISLV.NE.0) ROOT7 = TINY\n ROOT7 = MIN (ROOT7,WAER(7)/2.0,MAX(WAER(2)-WAER(6),ZERO),CHI7)\n ROOT7 = MAX (ROOT7, ZERO)\n PSI7 = CHI7-ROOT7\n ENDIF\n PSCONV7 = ABS(PSI7-PSI70) .LE. EPS*PSI70\n PSI70 = PSI7\nC\nC ION CONCENTRATIONS ; CORRECTIONS\nC\n KI = MAX (WAER(7) - 2.D0*ROOT7, ZERO)\n SO4I = MAX (WAER(2)-WAER(6) - ROOT7, ZERO)\n NH4I = WAER(3)\n NO3I = WAER(4)\n CLI = WAER(5)\n CAI = ZERO\n NAI = WAER(1)\n MGI = WAER(8)\nC\nC SOLUTION ACIDIC OR BASIC?\nC\n GG = 2.D0*SO4I + NO3I + CLI - NAI - NH4I\n & - 2.D0*CAI - KI - 2.D0*MGI\n IF (GG.GT.TINY) THEN ! H+ in excess\n BB =-GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n HI = 0.5D0*(-BB + SQRT(DD))\n OHI= AKW/HI\n ELSE ! OH- in excess\n BB = GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n OHI= 0.5D0*(-BB + SQRT(DD))\n HI = AKW/OHI\n ENDIF\nC\nC UNDISSOCIATED SPECIES EQUILIBRIA\nC\n IF (HI.GT.OHI) THEN\nC CALL CALCAMAQ2 (-GG, NH4I, OHI, NH3AQ)\nC HI = AKW/OHI\nC HSO4I = ZERO\nC ELSE\nC GGNO3 = MAX(2.D0*SO4I + NO3I - NAI - NH4I - 2.D0*CAI\nC & - KI - 2.D0*MGI, ZERO)\nC GGCL = MAX(GG-GGNO3, ZERO)\nC IF (GGCL .GT.TINY) CALL CALCCLAQ2 (GGCL, CLI, HI, CLAQ) ! HCl\nC IF (GGNO3.GT.TINY) THEN\nC IF (GGCL.LE.TINY) HI = ZERO\nC CALL CALCNIAQ2 (GGNO3, NO3I, HI, NO3AQ) ! HNO3\nC ENDIF\nC\nC CONCENTRATION ADJUSTMENTS ; HSO4 minor species.\nC\n CALL CALCHS4 (HI, SO4I, ZERO, DEL)\n else\n del= zero\n ENDIF\n SO4I = SO4I - DEL\n HI = HI - DEL\n HSO4I = DEL\nC IF (HI.LE.TINY) HI = SQRT(AKW)\n OHI = AKW/HI\nC\n IF (HI.LE.TINY) THEN\n HI = SQRT(AKW)\n OHI = AKW/HI\n ENDIF\nC\nC *** SAVE CONCENTRATIONS IN MOLAL ARRAY ******************************\nC\n MOLAL(1) = HI\n MOLAL(2) = NAI\n MOLAL(3) = NH4I\n MOLAL(4) = CLI\n MOLAL(5) = SO4I\n MOLAL(6) = HSO4I\n MOLAL(7) = NO3I\n MOLAL(8) = CAI\n MOLAL(9) = KI\n MOLAL(10)= MGI\nC\nC *** CALCULATE WATER **************************************************\nC\n CALL CALCMR\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n IF (PSCONV7) GOTO 20\n ENDIF\n10 CONTINUE\nccc CALL PUSHERR (0002, 'CALCV6') ! WARNING ERROR: NO CONVERGENCE\nC\nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n20 A2 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2. ! NH3 <==> NH4+\n A3 = XK4 *R*TEMP*(WATER/GAMA(10))**2. ! HNO3 <==> NO3-\n A4 = XK3 *R*TEMP*(WATER/GAMA(11))**2. ! HCL <==> CL-\nC\n GNH3 = NH4I/HI/A2\n GHNO3 = HI*NO3I/A3\n GHCL = HI*CLI /A4\nC\n GASAQ(1)= NH3AQ\n GASAQ(2)= CLAQ\n GASAQ(3)= NO3AQ\nC\n CNH42S4 = ZERO\n CNH4NO3 = ZERO\n CNH4CL = ZERO\n CNA2SO4 = ZERO\n CMGSO4 = ZERO\n CK2SO4 = CHI7 - PSI7\n CCASO4 = MIN (WAER(6), WAER(2))\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCV6 ******************************************\nC\n END\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCV5\nC *** CASE V5\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SO4RAT > 2.0), Cr+NA poor (CRNARAT < 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : K2SO4, CASO4, NA2SO4\nC 4. Completely dissolved: NH4NO3, NH4CL, (NH4)2SO4, MGSO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCV5\n INCLUDE 'isrpia.inc'\nC\n LOGICAL PSCONV7, PSCONV1\n DOUBLE PRECISION NH4I, NAI, NO3I, NH3AQ, NO3AQ, CLAQ, CAI, KI, MGI\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n FRST =.TRUE.\n CALAIN =.TRUE.\n CALAOU =.TRUE.\nC\n PSCONV7 =.TRUE.\n PSCONV1 =.TRUE.\nC\n PSI70 =-GREAT ! GREAT = 1.D10\n PSI1O =-GREAT\nC\n ROOT7 = ZERO\n ROOT1 = ZERO\nC\nC *** CALCULATE INITIAL SOLUTION ***************************************\nC\n CALL CALCV1A\nC\n CHI9 = CCASO4\n CHI7 = CK2SO4 ! SALTS\n CHI1 = CNA2SO4\nC\n PSI1 = CNA2SO4 ! AMOUNT DISSOLVED\n PSI4 = CNH4CL\n PSI5 = CNH4NO3\n PSI6 = CNH42S4\n PSI7 = CK2SO4\n PSI8 = CMGSO4\n PSI9 = CCASO4\nC\n CALL CALCMR ! WATER\nC\n NAI = WAER(1) ! LIQUID CONCENTRATIONS\n SO4I = MAX (WAER(2) - WAER(6), ZERO)\n NH4I = WAER(3)\n NO3I = WAER(4)\n CLI = WAER(5)\n CAI = WAER(6)\n KI = WAER(7)\n MGI = WAER(8)\nC\n HSO4I = ZERO\n NH3AQ = ZERO\n NO3AQ = ZERO\n CLAQ = ZERO\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A7 = XK17 *(WATER/GAMA(17))**3.0 ! K2SO4 <==> K+\n A1 = XK5 *(WATER/GAMA(2))**3.0 ! NA2S04 <==> Na+\n AKW = XKW*RH*WATER*WATER ! H2O <==> H+\nC\nC POTASSIUM SULFATE\nC\n IF (KI*KI*SO4I .GT. A7) THEN\n BB =-((WAER(2)-WAER(6)) + WAER(7) - ROOT1)\n CC = WAER(7)*((WAER(2)-WAER(6)) - ROOT1) + 0.25*WAER(7)*WAER(7)\n DD =-0.25*(WAER(7)*WAER(7)*((WAER(2)-WAER(6)) - ROOT1) - A7)\n CALL POLY3(BB, CC, DD, ROOT7, ISLV)\n IF (ISLV.NE.0) ROOT7 = TINY\n ROOT7 = MAX (ROOT7, ZERO)\n ROOT7 = MIN (ROOT7, WAER(7)/2.0,\n & MAX(WAER(2)-WAER(6) - ROOT1, ZERO), CHI7)\n PSI7 = CHI7-ROOT7\n ENDIF\n PSCONV7 = ABS(PSI7-PSI70) .LE. EPS*PSI70\n PSI70 = PSI7\nC\nC SODIUM SULFATE\nC\n IF (NAI*NAI*SO4I .GT. A1) THEN\n BB =-((WAER(2)-WAER(6)) + WAER(1) - ROOT7)\n CC = WAER(1)*((WAER(2)-WAER(6)) - ROOT7) + 0.25*WAER(1)*WAER(1)\n DD =-0.25*(WAER(1)*WAER(1)*((WAER(2)-WAER(6)) - ROOT7) - A1)\n CALL POLY3(BB, CC, DD, ROOT1, ISLV)\n IF (ISLV.NE.0) ROOT1 = TINY\n ROOT1 = MAX (ROOT1, ZERO)\n ROOT1 = MIN (ROOT1, WAER(1)/2.0,\n & MAX ((WAER(2)-WAER(6)) - ROOT7, ZERO), CHI1)\n PSI1 = CHI1-ROOT1\n ENDIF\n PSCONV1 = ABS(PSI1-PSI1O) .LE. EPS*PSI1O\n PSI1O = PSI1\nC\nC ION CONCENTRATIONS ; CORRECTIONS\nC\n KI = MAX (WAER(7) - 2.D0*ROOT7, ZERO)\n NAI = MAX (WAER(1) - 2.D0*ROOT1, ZERO)\n SO4I = MAX ((WAER(2)-WAER(6)) - ROOT7 - ROOT1, ZERO)\n NH4I = WAER(3)\n NO3I = WAER(4)\n CLI = WAER(5)\n CAI = ZERO\n MGI = WAER(8)\nC\nC SOLUTION ACIDIC OR BASIC?\nC\n GG = 2.D0*SO4I + NO3I + CLI - NAI - NH4I\n & - 2.D0*CAI - KI - 2.D0*MGI\n IF (GG.GT.TINY) THEN ! H+ in excess\n BB =-GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n HI = 0.5D0*(-BB + SQRT(DD))\n OHI= AKW/HI\n ELSE ! OH- in excess\n BB = GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n OHI= 0.5D0*(-BB + SQRT(DD))\n HI = AKW/OHI\n ENDIF\nC\nC UNDISSOCIATED SPECIES EQUILIBRIA\nC\n IF (HI.GT.OHI) THEN\nC CALL CALCAMAQ2 (-GG, NH4I, OHI, NH3AQ)\nC HI = AKW/OHI\nC HSO4I = ZERO\nC ELSE\nC GGNO3 = MAX(2.D0*SO4I + NO3I - NAI - NH4I - 2.D0*CAI\nC & - KI - 2.D0*MGI, ZERO)\nC GGCL = MAX(GG-GGNO3, ZERO)\nC IF (GGCL .GT.TINY) CALL CALCCLAQ2 (GGCL, CLI, HI, CLAQ) ! HCl\nC IF (GGNO3.GT.TINY) THEN\nC IF (GGCL.LE.TINY) HI = ZERO\nC CALL CALCNIAQ2 (GGNO3, NO3I, HI, NO3AQ) ! HNO3\nC ENDIF\nC\nC CONCENTRATION ADJUSTMENTS ; HSO4 minor species.\nC\n CALL CALCHS4 (HI, SO4I, ZERO, DEL)\n else\n del= zero\n ENDIF\n SO4I = SO4I - DEL\n HI = HI - DEL\n HSO4I = DEL\nC IF (HI.LE.TINY) HI = SQRT(AKW)\n OHI = AKW/HI\nC\n IF (HI.LE.TINY) THEN\n HI = SQRT(AKW)\n OHI = AKW/HI\n ENDIF\nC\nC *** SAVE CONCENTRATIONS IN MOLAL ARRAY ******************************\nC\n MOLAL(1) = HI\n MOLAL(2) = NAI\n MOLAL(3) = NH4I\n MOLAL(4) = CLI\n MOLAL(5) = SO4I\n MOLAL(6) = HSO4I\n MOLAL(7) = NO3I\n MOLAL(8) = CAI\n MOLAL(9) = KI\n MOLAL(10)= MGI\nC\nC *** CALCULATE WATER **************************************************\nC\n CALL CALCMR\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n IF (PSCONV7 .AND. PSCONV1) GOTO 20\n ENDIF\n10 CONTINUE\nccc CALL PUSHERR (0002, 'CALCV5') ! WARNING ERROR: NO CONVERGENCE\nC\nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n20 A2 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2. ! NH3 <==> NH4+\n A3 = XK4 *R*TEMP*(WATER/GAMA(10))**2. ! HNO3 <==> NO3-\n A4 = XK3 *R*TEMP*(WATER/GAMA(11))**2. ! HCL <==> CL-\nC\n GNH3 = NH4I/HI/A2\n GHNO3 = HI*NO3I/A3\n GHCL = HI*CLI /A4\nC\n GASAQ(1)= NH3AQ\n GASAQ(2)= CLAQ\n GASAQ(3)= NO3AQ\nC\n CNH42S4 = ZERO\n CNH4NO3 = ZERO\n CNH4CL = ZERO\n CNA2SO4 = CHI1 - PSI1\n CMGSO4 = ZERO\n CK2SO4 = CHI7 - PSI7\n CCASO4 = MIN (WAER(6), WAER(2))\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCV5******************************************\nC\n END\n\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCV4\nC *** CASE V4\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SO4RAT > 2.0), Cr+NA poor (CRNARAT < 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : K2SO4, CASO4, NA2SO4, MGSO4\nC 4. Completely dissolved: NH4NO3, NH4CL, (NH4)2SO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCV4\n INCLUDE 'isrpia.inc'\nC\n LOGICAL PSCONV7, PSCONV1\n DOUBLE PRECISION NH4I, NAI, NO3I, NH3AQ, NO3AQ, CLAQ, CAI, KI, MGI\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n FRST =.TRUE.\n CALAIN =.TRUE.\n CALAOU =.TRUE.\nC\n PSCONV7 =.TRUE.\n PSCONV1 =.TRUE.\nC\n PSI70 =-GREAT ! GREAT = 1.D10\n PSI1O =-GREAT\nC\n ROOT7 = ZERO\n ROOT1 = ZERO\nC\nC *** CALCULATE INITIAL SOLUTION ***************************************\nC\n CALL CALCV1A\nC\n CHI9 = CCASO4\n CHI7 = CK2SO4 ! SALTS\n CHI1 = CNA2SO4\n CHI8 = CMGSO4\nC\n PSI1 = CNA2SO4 ! AMOUNT DISSOLVED\n PSI4 = CNH4CL\n PSI5 = CNH4NO3\n PSI6 = CNH42S4\n PSI7 = CK2SO4\n PSI8 = CMGSO4\n PSI9 = CCASO4\nC\n CALL CALCMR ! WATER\nC\n NAI = WAER(1) ! LIQUID CONCENTRATIONS\n SO4I = WAER(2)\n NH4I = WAER(3)\n NO3I = WAER(4)\n CLI = WAER(5)\n CAI = WAER(6)\n KI = WAER(7)\n MGI = WAER(8)\nC\n HSO4I = ZERO\n NH3AQ = ZERO\n NO3AQ = ZERO\n CLAQ = ZERO\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A7 = XK17 *(WATER/GAMA(17))**3.0 ! K2SO4 <==> K+\n A1 = XK5 *(WATER/GAMA(2))**3.0 ! NA2S04 <==> Na+\n AKW = XKW*RH*WATER*WATER ! H2O <==> H+\nC\nC POTASSIUM SULFATE\nC\n IF (KI*KI*SO4I .GT. A7) THEN\n BB =-((WAER(2)-WAER(6)) + WAER(7) - ROOT1)\n CC = WAER(7)*((WAER(2)-WAER(6)) - ROOT1) + 0.25*WAER(7)*WAER(7)\n DD =-0.25*(WAER(7)*WAER(7)*((WAER(2)-WAER(6)) - ROOT1) - A7)\n CALL POLY3(BB, CC, DD, ROOT7, ISLV)\n IF (ISLV.NE.0) ROOT7 = TINY\n ROOT7 = MAX (ROOT7, ZERO)\n ROOT7 = MIN (ROOT7, WAER(7)/2.0,\n & MAX((WAER(2)-WAER(6)) - ROOT1, ZERO), CHI7)\n PSI7 = CHI7-ROOT7\n ENDIF\n PSCONV7 = ABS(PSI7-PSI70) .LE. EPS*PSI70\n PSI70 = PSI7\nC\nC SODIUM SULFATE\nC\n IF (NAI*NAI*SO4I .GT. A1) THEN\n BB =-((WAER(2)-WAER(6)) + WAER(1) - ROOT7)\n CC = WAER(1)*((WAER(2)-WAER(6)) - ROOT7) + 0.25*WAER(1)*WAER(1)\n DD =-0.25*(WAER(1)*WAER(1)*((WAER(2)-WAER(6)) - ROOT7) - A1)\n CALL POLY3(BB, CC, DD, ROOT1, ISLV)\n IF (ISLV.NE.0) ROOT1 = TINY\n ROOT1 = MAX (ROOT1, ZERO)\n ROOT1 = MIN (ROOT1, WAER(1)/2.0,\n & MAX ((WAER(2)-WAER(6)) - ROOT7, ZERO), CHI1)\n PSI1 = CHI1-ROOT1\n ENDIF\n PSCONV1 = ABS(PSI1-PSI1O) .LE. EPS*PSI1O\n PSI1O = PSI1\nC\nC ION CONCENTRATIONS ; CORRECTIONS\nC\n KI = MAX (WAER(7) - 2.D0*ROOT7, ZERO)\n NAI = MAX (WAER(1) - 2.D0*ROOT1, ZERO)\n SO4I = MAX ((WAER(2)-WAER(6)) - ROOT7 - ROOT1, ZERO)\n NH4I = WAER(3)\n NO3I = WAER(4)\n CLI = WAER(5)\n CAI = ZERO\n MGI = WAER(8)\nC\nC SOLUTION ACIDIC OR BASIC?\nC\n GG = 2.D0*SO4I + NO3I + CLI - NAI - NH4I\n & - 2.D0*CAI - KI - 2.D0*MGI\n IF (GG.GT.TINY) THEN ! H+ in excess\n BB =-GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n HI = 0.5D0*(-BB + SQRT(DD))\n OHI= AKW/HI\n ELSE ! OH- in excess\n BB = GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n OHI= 0.5D0*(-BB + SQRT(DD))\n HI = AKW/OHI\n ENDIF\nC\nC UNDISSOCIATED SPECIES EQUILIBRIA\nC\n IF (HI.GT.OHI) THEN\nC CALL CALCAMAQ2 (-GG, NH4I, OHI, NH3AQ)\nC HI = AKW/OHI\nC HSO4I = ZERO\nC ELSE\nC GGNO3 = MAX(2.D0*SO4I + NO3I - NAI - NH4I - 2.D0*CAI\nC & - KI - 2.D0*MGI, ZERO)\nC GGCL = MAX(GG-GGNO3, ZERO)\nC IF (GGCL .GT.TINY) CALL CALCCLAQ2 (GGCL, CLI, HI, CLAQ) ! HCl\nC IF (GGNO3.GT.TINY) THEN\nC IF (GGCL.LE.TINY) HI = ZERO\nC CALL CALCNIAQ2 (GGNO3, NO3I, HI, NO3AQ) ! HNO3\nC ENDIF\nC\nC CONCENTRATION ADJUSTMENTS ; HSO4 minor species.\nC\n CALL CALCHS4 (HI, SO4I, ZERO, DEL)\n else\n del= zero\n ENDIF\n SO4I = SO4I - DEL\n HI = HI - DEL\n HSO4I = DEL\nC IF (HI.LE.TINY) HI = SQRT(AKW)\n OHI = AKW/HI\nC\n IF (HI.LE.TINY) THEN\n HI = SQRT(AKW)\n OHI = AKW/HI\n ENDIF\nC\nC *** SAVE CONCENTRATIONS IN MOLAL ARRAY ******************************\nC\n MOLAL(1) = HI\n MOLAL(2) = NAI\n MOLAL(3) = NH4I\n MOLAL(4) = CLI\n MOLAL(5) = SO4I\n MOLAL(6) = HSO4I\n MOLAL(7) = NO3I\n MOLAL(8) = CAI\n MOLAL(9) = KI\n MOLAL(10)= MGI\nC\nC *** CALCULATE WATER **************************************************\nC\n CALL CALCMR\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n IF (PSCONV7 .AND. PSCONV1) GOTO 20\n ENDIF\n10 CONTINUE\nccc CALL PUSHERR (0002, 'CALCV4') ! WARNING ERROR: NO CONVERGENCE\nC\nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n20 A2 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2. ! NH3 <==> NH4+\n A3 = XK4 *R*TEMP*(WATER/GAMA(10))**2. ! HNO3 <==> NO3-\n A4 = XK3 *R*TEMP*(WATER/GAMA(11))**2. ! HCL <==> CL-\nC\n GNH3 = NH4I/HI/A2\n GHNO3 = HI*NO3I/A3\n GHCL = HI*CLI /A4\nC\n GASAQ(1)= NH3AQ\n GASAQ(2)= CLAQ\n GASAQ(3)= NO3AQ\nC\n CNH42S4 = ZERO\n CNH4NO3 = ZERO\n CNH4CL = ZERO\n CNA2SO4 = CHI1 - PSI1\n CMGSO4 = ZERO\n CK2SO4 = CHI7 - PSI7\n CCASO4 = MIN (WAER(6), WAER(2))\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCV4******************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCV3\nC *** CASE V3\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SO4RAT > 2.0), Cr+NA poor (CRNARAT < 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : K2SO4, CASO4, NA2SO4, MGSO4, (NH4)2SO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCV3\n INCLUDE 'isrpia.inc'\n LOGICAL EXNO, EXCL\n EXTERNAL CALCV1A, CALCV4\nC\nC *** REGIME DEPENDS ON AMBIENT RELATIVE HUMIDITY & POSSIBLE SPECIES ***\nC\n EXNO = WAER(4).GT.TINY\n EXCL = WAER(5).GT.TINY\nC\n IF (EXNO .OR. EXCL) THEN ! *** NITRATE OR CHLORIDE EXISTS\n SCASE = 'V3 ; SUBCASE 1'\n CALL CALCV3A\n SCASE = 'V3 ; SUBCASE 1'\nC\n ELSE ! *** NO CHLORIDE AND NITRATE\n IF (RH.LT.DRMO3) THEN\n SCASE = 'V3 ; SUBCASE 2'\n CALL CALCV1A ! SOLID\n SCASE = 'V3 ; SUBCASE 2'\n ELSE\n SCASE = 'V3 ; SUBCASE 3' ! MDRH (CaSO4, (NH4)2SO4, MGSO4, NA2SO4, K2SO4)\n CALL CALCMDRPII (RH, DRMO3, DRNH42S4, CALCV1A, CALCV4)\n SCASE = 'V3 ; SUBCASE 3'\n ENDIF\n ENDIF\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCV3 ******************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCV3A\nC *** CASE V3A\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SO4RAT > 2.0), Cr+NA poor (CRNARAT < 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : K2SO4, CASO4, NA2SO4, MGSO4, (NH4)2SO4\nC 4. Completely dissolved: NH4NO3, NH4CL\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCV3A\n INCLUDE 'isrpia.inc'\nC\n LOGICAL PSCONV7, PSCONV1, PSCONV6\n DOUBLE PRECISION NH4I, NAI, NO3I, NH3AQ, NO3AQ, CLAQ, CAI, KI, MGI\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n FRST =.TRUE.\n CALAIN =.TRUE.\n CALAOU =.TRUE.\nC\n PSCONV7 =.TRUE.\n PSCONV1 =.TRUE.\n PSCONV6 =.TRUE.\nC\n PSI70 =-GREAT ! GREAT = 1.D10\n PSI1O =-GREAT\n PSI60 =-GREAT\nC\n ROOT7 = ZERO\n ROOT1 = ZERO\n ROOT6 = ZERO\nC\nC *** CALCULATE INITIAL SOLUTION ***************************************\nC\n CALL CALCV1A\nC\n CHI9 = CCASO4\n CHI7 = CK2SO4 ! SALTS\n CHI1 = CNA2SO4\n CHI8 = CMGSO4\n CHI6 = CNH42S4\nC\n PSI1 = CNA2SO4 ! AMOUNT DISSOLVED\n PSI4 = CNH4CL\n PSI5 = CNH4NO3\n PSI6 = CNH42S4\n PSI7 = CK2SO4\n PSI8 = CMGSO4\n PSI9 = CCASO4\nC\n CALL CALCMR ! WATER\nC\n NAI = WAER(1) ! LIQUID CONCENTRATIONS\n SO4I = WAER(2)\n NH4I = WAER(3)\n NO3I = WAER(4)\n CLI = WAER(5)\n CAI = WAER(6)\n KI = WAER(7)\n MGI = WAER(8)\nC\n HSO4I = ZERO\n NH3AQ = ZERO\n NO3AQ = ZERO\n CLAQ = ZERO\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A7 = XK17 *(WATER/GAMA(17))**3.0 ! K2SO4 <==> K+\n A1 = XK5 *(WATER/GAMA(2))**3.0 ! NA2S04 <==> Na+\n A6 = XK7 *(WATER/GAMA(4))**3.0 !(NH4)2SO4 <==> NH4+\n AKW = XKW*RH*WATER*WATER ! H2O <==> H+\nC\nC POTASSIUM SULFATE\nC\n IF (KI*KI*SO4I .GT. A7) THEN\n BB =-((WAER(2)-WAER(6)) + WAER(7) - ROOT1 - ROOT6)\n CC = WAER(7)*((WAER(2) - WAER(6)) - ROOT1 - ROOT6) +\n & 0.25*WAER(7)*WAER(7)\n DD =-0.25*(WAER(7)*WAER(7)*((WAER(2)-WAER(6))-ROOT1-ROOT6)-A7)\n CALL POLY3(BB, CC, DD, ROOT7, ISLV)\n IF (ISLV.NE.0) ROOT7 = TINY\n ROOT7 = MAX (ROOT7, ZERO)\n ROOT7 = MIN (ROOT7, WAER(7)/2.0,\n & MAX (WAER(2)-WAER(6)-ROOT1-ROOT6, ZERO), CHI7)\n PSI7 = CHI7-ROOT7\n ENDIF\n PSCONV7 = ABS(PSI7-PSI70) .LE. EPS*PSI70\n PSI70 = PSI7\nC\nC SODIUM SULFATE\nC\n IF (NAI*NAI*SO4I .GT. A1) THEN\n BB =-((WAER(2)-WAER(6)) + WAER(1) - ROOT7 - ROOT6)\n CC = WAER(1)*((WAER(2)-WAER(6)) - ROOT7 - ROOT6) +\n & 0.25*WAER(1)*WAER(1)\n DD =-0.25*(WAER(1)*WAER(1)*((WAER(2)-WAER(6))-ROOT7-ROOT6)-A1)\n CALL POLY3(BB, CC, DD, ROOT1, ISLV)\n IF (ISLV.NE.0) ROOT1 = TINY\n ROOT1 = MAX (ROOT1, ZERO)\n ROOT1 = MIN (ROOT1, WAER(1)/2.0,\n & MAX (WAER(2)-WAER(6)-ROOT7-ROOT6, ZERO), CHI1)\n PSI1 = CHI1-ROOT1\n ENDIF\n PSCONV1 = ABS(PSI1-PSI1O) .LE. EPS*PSI1O\n PSI1O = PSI1\nC\nC AMMONIUM SULFATE\nC\n IF (NH4I*NH4I*SO4I .GT. A6) THEN\n BB =-((WAER(2)-WAER(6)) + WAER(3) - ROOT7 - ROOT1)\n CC = WAER(3)*((WAER(2)-WAER(6)) - ROOT7 - ROOT1) +\n & 0.25*WAER(3)*WAER(3)\n DD =-0.25*(WAER(3)*WAER(3)*((WAER(2)-WAER(6))-ROOT7-ROOT1)-A6)\n CALL POLY3(BB, CC, DD, ROOT6, ISLV)\n IF (ISLV.NE.0) ROOT6 = TINY\n ROOT6 = MAX (ROOT6, ZERO)\n ROOT6 = MIN (ROOT6, WAER(3)/2.0,\n & MAX (WAER(2)-WAER(6)-ROOT7-ROOT1, ZERO), CHI6)\n PSI6 = CHI6-ROOT6\n ENDIF\n PSCONV6 = ABS(PSI6-PSI60) .LE. EPS*PSI60\n PSI60 = PSI6\nC ION CONCENTRATIONS ; CORRECTIONS\nC\n KI = MAX (WAER(7) - 2.D0*ROOT7, ZERO)\n NAI = MAX (WAER(1) - 2.D0*ROOT1, ZERO)\n SO4I = MAX (WAER(2)-WAER(6) - ROOT7 - ROOT1 - ROOT6, ZERO)\n NH4I = MAX (WAER(3) - 2.D0*ROOT6, ZERO)\n NO3I = WAER(4)\n CLI = WAER(5)\n CAI = ZERO\n MGI = WAER(8)\nC\nC SOLUTION ACIDIC OR BASIC?\nC\n GG = 2.D0*SO4I + NO3I + CLI - NAI - NH4I\n & - 2.D0*CAI - KI - 2.D0*MGI\n IF (GG.GT.TINY) THEN ! H+ in excess\n BB =-GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n HI = 0.5D0*(-BB + SQRT(DD))\n OHI= AKW/HI\n ELSE ! OH- in excess\n BB = GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n OHI= 0.5D0*(-BB + SQRT(DD))\n HI = AKW/OHI\n ENDIF\nC\nC UNDISSOCIATED SPECIES EQUILIBRIA\nC\n IF (HI.GT.OHI) THEN\nC CALL CALCAMAQ2 (-GG, NH4I, OHI, NH3AQ)\nC HI = AKW/OHI\nC HSO4I = ZERO\nC ELSE\nC GGNO3 = MAX(2.D0*SO4I + NO3I - NAI - NH4I - 2.D0*CAI\nC & - KI - 2.D0*MGI, ZERO)\nC GGCL = MAX(GG-GGNO3, ZERO)\nC IF (GGCL .GT.TINY) CALL CALCCLAQ2 (GGCL, CLI, HI, CLAQ) ! HCl\nC IF (GGNO3.GT.TINY) THEN\nC IF (GGCL.LE.TINY) HI = ZERO\nC CALL CALCNIAQ2 (GGNO3, NO3I, HI, NO3AQ) ! HNO3\nC ENDIF\nC\nC CONCENTRATION ADJUSTMENTS ; HSO4 minor species.\nC\n CALL CALCHS4 (HI, SO4I, ZERO, DEL)\n else\n del= zero\n ENDIF\n SO4I = SO4I - DEL\n HI = HI - DEL\n HSO4I = DEL\nC IF (HI.LE.TINY) HI = SQRT(AKW)\n OHI = AKW/HI\nC\n IF (HI.LE.TINY) THEN\n HI = SQRT(AKW)\n OHI = AKW/HI\n ENDIF\nC\nC *** SAVE CONCENTRATIONS IN MOLAL ARRAY ******************************\nC\n MOLAL(1) = HI\n MOLAL(2) = NAI\n MOLAL(3) = NH4I\n MOLAL(4) = CLI\n MOLAL(5) = SO4I\n MOLAL(6) = HSO4I\n MOLAL(7) = NO3I\n MOLAL(8) = CAI\n MOLAL(9) = KI\n MOLAL(10)= MGI\nC\nC *** CALCULATE WATER **************************************************\nC\n CALL CALCMR\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n IF (PSCONV7 .AND. PSCONV1 .AND. PSCONV6) GOTO 20\n ENDIF\n10 CONTINUE\nccc CALL PUSHERR (0002, 'CALCV3') ! WARNING ERROR: NO CONVERGENCE\nC\nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n20 A2 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2. ! NH3 <==> NH4+\n A3 = XK4 *R*TEMP*(WATER/GAMA(10))**2. ! HNO3 <==> NO3-\n A4 = XK3 *R*TEMP*(WATER/GAMA(11))**2. ! HCL <==> CL-\nC\n GNH3 = NH4I/HI/A2\n GHNO3 = HI*NO3I/A3\n GHCL = HI*CLI /A4\nC\n GASAQ(1)= NH3AQ\n GASAQ(2)= CLAQ\n GASAQ(3)= NO3AQ\nC\n CNH42S4 = CHI6 - PSI6\n CNH4NO3 = ZERO\n CNH4CL = ZERO\n CNA2SO4 = CHI1 - PSI1\n CMGSO4 = ZERO\n CK2SO4 = CHI7 - PSI7\n CCASO4 = MIN (WAER(6), WAER(2))\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCV3A******************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCV2\nC *** CASE V2\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SO4RAT > 2.0), Cr+NA poor (CRNARAT < 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : K2SO4, CASO4, NA2SO4, MGSO4, (NH4)2SO4, NH4CL\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCV2\n INCLUDE 'isrpia.inc'\n LOGICAL EXNO, EXCL\n EXTERNAL CALCV1A, CALCV3A, CALCV4\nC\nC *** REGIME DEPENDS ON AMBIENT RELATIVE HUMIDITY & POSSIBLE SPECIES ***\nC\n EXNO = WAER(4).GT.TINY\n EXCL = WAER(5).GT.TINY\nC\n IF (EXNO) THEN ! *** NITRATE EXISTS\n SCASE = 'V2 ; SUBCASE 1'\n CALL CALCV2A\n SCASE = 'V2 ; SUBCASE 1'\nC\n ELSEIF (.NOT.EXNO .AND. EXCL) THEN ! *** ONLY CHLORIDE EXISTS\n IF (RH.LT.DRMO2) THEN\n SCASE = 'V2 ; SUBCASE 2'\n CALL CALCV1A ! SOLID\n SCASE = 'V2 ; SUBCASE 2'\n ELSE\n SCASE = 'V2 ; SUBCASE 3' ! MDRH CaSO4, NH4CL, (NH4)2SO4, MGSO4, NA2SO4, K2SO4\n CALL CALCMDRPII (RH, DRMO2, DRNH4CL, CALCV1A, CALCV3A)\n SCASE = 'V2 ; SUBCASE 3'\n ENDIF\nC\n ELSE ! *** NO CHLORIDE AND NITRATE\n IF (RH.LT.DRMO3) THEN\n SCASE = 'V2 ; SUBCASE 2'\n CALL CALCV1A ! SOLID\n SCASE = 'V2 ; SUBCASE 2'\n ELSE\n SCASE = 'V2 ; SUBCASE 4' ! MDRH CaSO4, (NH4)2SO4, MGSO4, NA2SO4, K2SO4\n CALL CALCMDRPII (RH, DRMO3, DRNH42S4, CALCV1A, CALCV4)\n SCASE = 'V2 ; SUBCASE 4'\n ENDIF\n ENDIF\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCV2 ******************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCV2A\nC *** CASE V2A\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SO4RAT > 2.0), Cr+NA poor (CRNARAT < 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : K2SO4, CASO4, NA2SO4, MGSO4, (NH4)2SO4, NH4CL\nC 4. Completely dissolved: NH4NO3\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCV2A\n INCLUDE 'isrpia.inc'\nC\n LOGICAL PSCONV7, PSCONV1, PSCONV6, PSCONV4\n DOUBLE PRECISION NH4I, NAI, NO3I, NH3AQ, NO3AQ, CLAQ, CAI, KI, MGI\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n FRST =.TRUE.\n CALAIN =.TRUE.\n CALAOU =.TRUE.\nC\n PSCONV7 =.TRUE.\n PSCONV1 =.TRUE.\n PSCONV6 =.TRUE.\n PSCONV4 =.TRUE.\nC\n PSI70 =-GREAT ! GREAT = 1.D10\n PSI1O =-GREAT\n PSI60 =-GREAT\n PSI40 =-GREAT\nC\n ROOT7 = ZERO\n ROOT1 = ZERO\n ROOT6 = ZERO\n ROOT4 = ZERO\nC\nC *** CALCULATE INITIAL SOLUTION ***************************************\nC\n CALL CALCV1A\nC\n CHI9 = CCASO4\n CHI7 = CK2SO4 ! SALTS\n CHI1 = CNA2SO4\n CHI8 = CMGSO4\n CHI6 = CNH42S4\n CHI4 = CNH4CL\nC\n PSI1 = CNA2SO4 ! AMOUNT DISSOLVED\n PSI4 = CNH4CL\n PSI5 = CNH4NO3\n PSI6 = CNH42S4\n PSI7 = CK2SO4\n PSI8 = CMGSO4\n PSI9 = CCASO4\nC\n CALL CALCMR ! WATER\nC\n NAI = WAER(1) ! LIQUID CONCENTRATIONS\n SO4I = MAX (WAER(2) - WAER(6), ZERO)\n NH4I = WAER(3)\n NO3I = WAER(4)\n CLI = WAER(5)\n CAI = WAER(6)\n KI = WAER(7)\n MGI = WAER(8)\nC\n HSO4I = ZERO\n NH3AQ = ZERO\n NO3AQ = ZERO\n CLAQ = ZERO\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A7 = XK17 *(WATER/GAMA(17))**3.0 ! K2SO4 <==> K+\n A1 = XK5 *(WATER/GAMA(2))**3.0 ! NA2S04 <==> Na+\n A6 = XK7 *(WATER/GAMA(4))**3.0 ! (NH4)2SO4 <==> NH4+\n A14 = XK14*(WATER/GAMA(6))**2. ! NH4Cl <==> NH4+\n AKW = XKW*RH*WATER*WATER ! H2O <==> H+\nC\nC AMMONIUM CHLORIDE\nC\n IF (NH4I*CLI .GT. A14) THEN\n BB =-(WAER(3) + WAER(5) - 2.D0*ROOT6)\n CC = WAER(5)*(WAER(3) - 2.D0*ROOT6) - A14\n DD = BB*BB - 4.D0*CC\n IF (DD.LT.ZERO) THEN\n ROOT4 = ZERO\n ELSE\n DD = SQRT(DD)\n ROOT4A= 0.5D0*(-BB+DD)\n ROOT4B= 0.5D0*(-BB-DD)\n IF (ZERO.LE.ROOT4A) THEN\n ROOT4 = ROOT4A\n ELSE\n ROOT4 = ROOT4B\n ENDIF\n ROOT4 = MAX(ROOT4, ZERO)\n ROOT4 = MIN(ROOT4, WAER(5),\n & MAX (WAER(3) - 2.D0*ROOT6, ZERO), CHI4)\n PSI4 = CHI4 - ROOT4\n ENDIF\n ENDIF\n PSCONV4 = ABS(PSI4-PSI40) .LE. EPS*PSI40\n PSI40 = PSI4\nC\nC POTASSIUM SULFATE\nC\n IF (KI*KI*SO4I .GT. A7) THEN\n BB =-((WAER(2) - WAER(6)) + WAER(7) - ROOT1 - ROOT6)\n CC = WAER(7)*((WAER(2) - WAER(6)) - ROOT1 - ROOT6)\n & + 0.25*WAER(7)*WAER(7)\n DD =-0.25*(WAER(7)*WAER(7)*((WAER(2)-WAER(6))-ROOT1-ROOT6)-A7)\n CALL POLY3(BB, CC, DD, ROOT7, ISLV)\n IF (ISLV.NE.0) ROOT7 = TINY\n ROOT7 = MAX (ROOT7, ZERO)\n ROOT7 = MIN (ROOT7, WAER(7)/2.0,\n & MAX (WAER(2)-WAER(6)-ROOT1-ROOT6, ZERO), CHI7)\n PSI7 = CHI7-ROOT7\n ENDIF\n PSCONV7 = ABS(PSI7-PSI70) .LE. EPS*PSI70\n PSI70 = PSI7\nC\nC SODIUM SULFATE\nC\n IF (NAI*NAI*SO4I .GT. A1) THEN\n BB =-((WAER(2) - WAER(6)) + WAER(1) - ROOT7 - ROOT6)\n CC = WAER(1)*((WAER(2) - WAER(6)) - ROOT7 - ROOT6) +\n & 0.25*WAER(1)*WAER(1)\n DD =-0.25*(WAER(1)*WAER(1)*((WAER(2)-WAER(6))-ROOT7-ROOT6)-A1)\n CALL POLY3(BB, CC, DD, ROOT1, ISLV)\n IF (ISLV.NE.0) ROOT1 = TINY\n ROOT1 = MAX (ROOT1, ZERO)\n ROOT1 = MIN (ROOT1, WAER(1)/2.0,\n & MAX (WAER(2)-WAER(6)-ROOT7-ROOT6, ZERO), CHI1)\n PSI1 = CHI1-ROOT1\n ENDIF\n PSCONV1 = ABS(PSI1-PSI1O) .LE. EPS*PSI1O\n PSI1O = PSI1\nC\nC AMMONIUM SULFATE\nC\n IF (NH4I*NH4I*SO4I .GT. A6) THEN\n BB =-((WAER(2)-WAER(6)) + WAER(3) - ROOT7 - ROOT1 - ROOT4)\n CC = WAER(3)*((WAER(2)-WAER(6)) - ROOT7 - ROOT1) + 0.25*\n & (WAER(3)-ROOT4)**2.0 + ROOT4*(ROOT1+ROOT7-(WAER(2)-WAER(6)))\n DD =-0.25*((WAER(3)-ROOT4)**2.0 *\n & ((WAER(2)-WAER(6))-ROOT7-ROOT1) - A6)\n CALL POLY3(BB, CC, DD, ROOT6, ISLV)\n IF (ISLV.NE.0) ROOT6 = TINY\n ROOT6 = MAX (ROOT6, ZERO)\n ROOT6 = MIN (ROOT6, WAER(3)/2.0,\n & MAX (WAER(2)-WAER(6) - ROOT7 - ROOT1, ZERO), CHI6)\n PSI6 = CHI6-ROOT6\n ENDIF\n PSCONV6 = ABS(PSI6-PSI60) .LE. EPS*PSI60\n PSI60 = PSI6\nC\nC ION CONCENTRATIONS ; CORRECTIONS\nC\n KI = MAX (WAER(7) - 2.D0*ROOT7, ZERO)\n NAI = MAX (WAER(1) - 2.D0*ROOT1, ZERO)\n SO4I = MAX (WAER(2)-WAER(6) - ROOT7 - ROOT1 - ROOT6, ZERO)\n NH4I = MAX (WAER(3) - 2.D0*ROOT6, ZERO)\n NO3I = WAER(4)\n CLI = WAER(5)\n CAI = ZERO\n MGI = WAER(8)\nC\nC SOLUTION ACIDIC OR BASIC?\nC\n GG = 2.D0*SO4I + NO3I + CLI - NAI - NH4I\n & - 2.D0*CAI - KI - 2.D0*MGI\n IF (GG.GT.TINY) THEN ! H+ in excess\n BB =-GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n HI = 0.5D0*(-BB + SQRT(DD))\n OHI= AKW/HI\n ELSE ! OH- in excess\n BB = GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n OHI= 0.5D0*(-BB + SQRT(DD))\n HI = AKW/OHI\n ENDIF\nC\nC UNDISSOCIATED SPECIES EQUILIBRIA\nC\n IF (HI.GT.OHI) THEN\nC CALL CALCAMAQ2 (-GG, NH4I, OHI, NH3AQ)\nC HI = AKW/OHI\nC HSO4I = ZERO\nC ELSE\nC GGNO3 = MAX(2.D0*SO4I + NO3I - NAI - NH4I - 2.D0*CAI\nC & - KI - 2.D0*MGI, ZERO)\nC GGCL = MAX(GG-GGNO3, ZERO)\nC IF (GGCL .GT.TINY) CALL CALCCLAQ2 (GGCL, CLI, HI, CLAQ) ! HCl\nC IF (GGNO3.GT.TINY) THEN\nC IF (GGCL.LE.TINY) HI = ZERO\nC CALL CALCNIAQ2 (GGNO3, NO3I, HI, NO3AQ) ! HNO3\nC ENDIF\nC\nC CONCENTRATION ADJUSTMENTS ; HSO4 minor species.\nC\n CALL CALCHS4 (HI, SO4I, ZERO, DEL)\n else\n del= zero\n ENDIF\n SO4I = SO4I - DEL\n HI = HI - DEL\n HSO4I = DEL\nC IF (HI.LE.TINY) HI = SQRT(AKW)\n OHI = AKW/HI\nC\n IF (HI.LE.TINY) THEN\n HI = SQRT(AKW)\n OHI = AKW/HI\n ENDIF\nC\nC *** SAVE CONCENTRATIONS IN MOLAL ARRAY ******************************\nC\n MOLAL(1) = HI\n MOLAL(2) = NAI\n MOLAL(3) = NH4I\n MOLAL(4) = CLI\n MOLAL(5) = SO4I\n MOLAL(6) = HSO4I\n MOLAL(7) = NO3I\n MOLAL(8) = CAI\n MOLAL(9) = KI\n MOLAL(10)= MGI\nC\nC *** CALCULATE WATER **************************************************\nC\n CALL CALCMR\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n IF (PSCONV7 .AND. PSCONV1 .AND. PSCONV6 .AND. PSCONV4) GOTO 20\n ENDIF\n10 CONTINUE\nccc CALL PUSHERR (0002, 'CALCV2') ! WARNING ERROR: NO CONVERGENCE\nC\nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n20 A2 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2. ! NH3 <==> NH4+\n A3 = XK4 *R*TEMP*(WATER/GAMA(10))**2. ! HNO3 <==> NO3-\n A4 = XK3 *R*TEMP*(WATER/GAMA(11))**2. ! HCL <==> CL-\nC\n GNH3 = NH4I/HI/A2\n GHNO3 = HI*NO3I/A3\n GHCL = HI*CLI /A4\nC\n GASAQ(1)= NH3AQ\n GASAQ(2)= CLAQ\n GASAQ(3)= NO3AQ\nC\n CNH42S4 = CHI6 - PSI6\n CNH4NO3 = ZERO\n CNH4CL = CHI4 - PSI4\n CNA2SO4 = CHI1 - PSI1\n CMGSO4 = ZERO\n CK2SO4 = CHI7 - PSI7\n CCASO4 = MIN (WAER(6), WAER(2))\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCV2A******************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCV1\nC *** CASE V1\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SO4RAT > 2.0), Cr+NA poor (CRNARAT < 2)\nC 2. SOLID AEROSOL ONLY\nC 3. SOLIDS POSSIBLE : (NH4)2SO4, NH4NO3, NH4Cl, NA2SO4, K2SO4, MGSO4, CASO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCV1\n INCLUDE 'isrpia.inc'\n LOGICAL EXNO, EXCL\n EXTERNAL CALCV1A, CALCV2A, CALCV3A, CALCV4\nC\nC *** REGIME DEPENDS ON AMBIENT RELATIVE HUMIDITY & POSSIBLE SPECIES ***\nC\n EXNO = WAER(4).GT.TINY\n EXCL = WAER(5).GT.TINY\nC\n IF (EXNO .AND. EXCL) THEN ! *** NITRATE & CHLORIDE EXIST\n IF (RH.LT.DRMO1) THEN\n SCASE = 'V1 ; SUBCASE 1'\n CALL CALCV1A ! SOLID\n SCASE = 'V1 ; SUBCASE 1'\n ELSE\n SCASE = 'V1 ; SUBCASE 2' ! MDRH (NH4)2SO4, NH4NO3, NH4Cl, NA2SO4, K2SO4, MGSO4, CASO4\n CALL CALCMDRPII (RH, DRMO1, DRNH4NO3, CALCV1A, CALCV2A)\n SCASE = 'V1 ; SUBCASE 2'\n ENDIF\nC\n ELSE IF (EXNO .AND. .NOT.EXCL) THEN ! *** ONLY NITRATE EXISTS\n IF (RH.LT.DRMV1) THEN\n SCASE = 'V1 ; SUBCASE 1'\n CALL CALCV1A ! SOLID\n SCASE = 'V1 ; SUBCASE 1'\n ELSE\n SCASE = 'V1 ; SUBCASE 3' ! MDRH (NH4)2SO4, NH4NO3, NA2SO4, K2SO4, MGSO4, CASO4\n CALL CALCMDRPII (RH, DRMV1, DRNH4NO3, CALCV1A, CALCV2A)\n SCASE = 'V1 ; SUBCASE 3'\n ENDIF\nC\n ELSE IF (.NOT.EXNO .AND. EXCL) THEN ! *** ONLY CHLORIDE EXISTS\n IF (RH.LT.DRMO2) THEN\n SCASE = 'V1 ; SUBCASE 1'\n CALL CALCV1A ! SOLID\n SCASE = 'V1 ; SUBCASE 1'\n ELSE\n SCASE = 'V1 ; SUBCASE 4' ! MDRH (NH4)2SO4, NH4Cl, NA2SO4, K2SO4, MGSO4, CASO4\n CALL CALCMDRPII (RH, DRMO2, DRNH4CL, CALCV1A, CALCV3A)\n SCASE = 'V1 ; SUBCASE 4'\n ENDIF\nC\n ELSE ! *** NO CHLORIDE AND NITRATE\n IF (RH.LT.DRMO3) THEN\n SCASE = 'V1 ; SUBCASE 1'\n CALL CALCV1A ! SOLID\n SCASE = 'V1 ; SUBCASE 1'\n ELSE\n SCASE = 'V1 ; SUBCASE 5' ! MDRH (NH4)2SO4, NA2SO4, K2SO4, MGSO4, CASO4\n CALL CALCMDRPII (RH, DRMO3, DRNH42S4, CALCV1A, CALCV4)\n SCASE = 'V1 ; SUBCASE 5'\n ENDIF\n ENDIF\nC\n RETURN\nC\nC IF (RH.LT.DRMO1) THEN\nC SCASE = 'V1 ; SUBCASE 1'\nC CALL CALCV1A ! SOLID PHASE ONLY POSSIBLE\nC SCASE = 'V1 ; SUBCASE 1'\nC ELSE\nC SCASE = 'V1 ; SUBCASE 2' ! LIQUID & SOLID PHASE POSSIBLE\nC CALL CALCMDRPII (RH, DRMO1, DRNH4NO3, CALCV1A, CALCV2A)\nC SCASE = 'V1 ; SUBCASE 2'\nC ENDIF\nC\nC RETURN\nC\nC *** END OF SUBROUTINE CALCV1 ******************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCV1A\nC *** CASE V1A\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SO4RAT > 2.0), Cr+NA poor (CRNARAT < 2)\nC 2. SOLID AEROSOL ONLY\nC 3. SOLIDS POSSIBLE : (NH4)2SO4, NH4NO3, NH4Cl, NA2SO4, K2SO4, MGSO4, CASO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCV1A\n INCLUDE 'isrpia.inc'\nC\nC *** CALCULATE SOLIDS **************************************************\nC\n CCASO4 = MIN (WAER(6), WAER(2)) ! CCASO4\n SO4FR = MAX (WAER(2) - CCASO4, ZERO)\n CAFR = MAX (WAER(6) - CCASO4, ZERO)\n CK2SO4 = MIN (0.5D0*WAER(7), SO4FR) ! CK2SO4\n FRK = MAX (WAER(7) - 2.D0*CK2SO4, ZERO)\n SO4FR = MAX (SO4FR - CK2SO4, ZERO)\n CNA2SO4 = MIN (0.5D0*WAER(1), SO4FR) ! CNA2SO4\n NAFR = MAX (WAER(1) - 2.D0*CNA2SO4, ZERO)\n SO4FR = MAX (SO4FR - CNA2SO4, ZERO)\n CMGSO4 = MIN (WAER(8), SO4FR) ! CMGSO4\n FRMG = MAX(WAER(8) - CMGSO4, ZERO)\n SO4FR = MAX(SO4FR - CMGSO4, ZERO)\n CNH42S4 = MAX (MIN (SO4FR , 0.5d0*WAER(3)) , TINY)\n FRNH3 = MAX (WAER(3) - 2.D0*CNH42S4, ZERO)\nC\n CNH4NO3 = MIN (FRNH3, WAER(4))\nCCC FRNO3 = MAX (WAER(4) - CNH4NO3, ZERO)\n FRNH3 = MAX (FRNH3 - CNH4NO3, ZERO)\nC\n CNH4CL = MIN (FRNH3, WAER(5))\nCCC FRCL = MAX (WAER(5) - CNH4CL, ZERO)\n FRNH3 = MAX (FRNH3 - CNH4CL, ZERO)\nC\nC *** OTHER PHASES ******************************************************\nC\n WATER = ZERO\nC\n GNH3 = ZERO\n GHNO3 = ZERO\n GHCL = ZERO\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCV1A *****************************************\nC\n END\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCU8\nC *** CASE U8\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0); CRUSTAL+SODIUM RICH (CRNARAT >= 2.0); CRUSTAL POOR (CRRAT<2)\nC 2. THERE IS ONLY A LIQUID PHASE\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCU8\n INCLUDE 'isrpia.inc'\nC\n DOUBLE PRECISION NH4I, NAI, NO3I, NH3AQ, NO3AQ, CLAQ, CAI, KI, MGI\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n CALL CALCU1A\nC\n CHI9 = CCASO4 ! SALTS\nC\n PSI1 = CNA2SO4\n PSI2 = CNANO3\n PSI3 = CNACL\n PSI4 = CNH4CL\n PSI5 = CNH4NO3\n PSI7 = CK2SO4\n PSI8 = CMGSO4\n PSI9 = CCASO4\nC\n FRST = .TRUE.\n CALAIN = .TRUE.\n CALAOU = .TRUE.\nC\nC *** CALCULATE WATER **************************************************\nC\n CALL CALCMR\nC\nC *** SETUP LIQUID CONCENTRATIONS **************************************\nC\n HSO4I = ZERO\n NH3AQ = ZERO\n NO3AQ = ZERO\n CLAQ = ZERO\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n AKW = XKW*RH*WATER*WATER ! H2O <==> H+\nC\n NAI = WAER(1)\n SO4I = MAX(WAER(2) - WAER(6), ZERO)\n NH4I = WAER(3)\n NO3I = WAER(4)\n CLI = WAER(5)\n CAI = ZERO\n KI = WAER(7)\n MGI = WAER(8)\n\nC\nC SOLUTION ACIDIC OR BASIC?\nC\n GG = 2.D0*SO4I + NO3I + CLI - NAI - NH4I\n & - 2.D0*CAI - KI - 2.D0*MGI\n IF (GG.GT.TINY) THEN ! H+ in excess\n BB =-GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n HI = 0.5D0*(-BB + SQRT(DD))\n OHI= AKW/HI\n ELSE ! OH- in excess\n BB = GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n OHI= 0.5D0*(-BB + SQRT(DD))\n HI = AKW/OHI\n ENDIF\n IF (HI.LE.TINY) HI = SQRT(AKW)\nC OHI = AKW/HI\nC\nC UNDISSOCIATED SPECIES EQUILIBRIA\nC\n IF (HI.GT.OHI) THEN\nC CALL CALCAMAQ2 (-GG, NH4I, OHI, NH3AQ)\nC HI = AKW/OHI\nC HSO4I = ZERO\nC ELSE\nC GGNO3 = MAX(2.D0*SO4I + NO3I - NAI - NH4I - 2.D0*CAI\nC & - KI - 2.D0*MGI, ZERO)\nC GGCL = MAX(GG-GGNO3, ZERO)\nC IF (GGCL .GT.TINY) CALL CALCCLAQ2 (GGCL, CLI, HI, CLAQ) ! HCl\nC IF (GGNO3.GT.TINY) THEN\nC IF (GGCL.LE.TINY) HI = ZERO\nC CALL CALCNIAQ2 (GGNO3, NO3I, HI, NO3AQ) ! HNO3\nC ENDIF\nC\nC CONCENTRATION ADJUSTMENTS ; HSO4 minor species.\nC\n CALL CALCHS4 (HI, SO4I, ZERO, DEL)\n else\n del= zero\n ENDIF\n SO4I = SO4I - DEL\n HI = HI - DEL\n HSO4I = DEL\nC IF (HI.LE.TINY) HI = SQRT(AKW)\n OHI = AKW/HI\nC\n IF (HI.LE.TINY) THEN\n HI = SQRT(AKW)\n OHI = AKW/HI\n ENDIF\nC\nC *** SAVE CONCENTRATIONS IN MOLAL ARRAY ******************************\nC\n MOLAL(1) = HI\n MOLAL(2) = NAI\n MOLAL(3) = NH4I\n MOLAL(4) = CLI\n MOLAL(5) = SO4I\n MOLAL(6) = HSO4I\n MOLAL(7) = NO3I\n MOLAL(8) = CAI\n MOLAL(9) = KI\n MOLAL(10)= MGI\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nccc CALL PUSHERR (0002, 'CALCU8') ! WARNING ERROR: NO CONVERGENCE\nC\nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n20 A2 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2. ! NH3 <==> NH4+\n A3 = XK4 *R*TEMP*(WATER/GAMA(10))**2. ! HNO3 <==> NO3-\n A4 = XK3 *R*TEMP*(WATER/GAMA(11))**2. ! HCL <==> CL-\nC\n GNH3 = NH4I/HI/A2\n GHNO3 = HI*NO3I/A3\n GHCL = HI*CLI /A4\nC\n GASAQ(1) = NH3AQ\n GASAQ(2) = CLAQ\n GASAQ(3) = NO3AQ\nC\n CNH42S4 = ZERO\n CNH4NO3 = ZERO\n CNH4CL = ZERO\n CNACL = ZERO\n CNANO3 = ZERO\n CNA2SO4 = ZERO\n CMGSO4 = ZERO\n CK2SO4 = ZERO\n CCASO4 = MIN (WAER(6), WAER(2))\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCU8 ******************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCU7\nC *** CASE U7\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SO4RAT > 2.0), CRUSTAL+SODIUM RICH (CRNARAT >= 2.0); CRUSTAL POOR (CRRAT<2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : K2SO4, CASO4\nC 4. Completely dissolved: NH4NO3, NH4CL, NANO3, NACL, MGSO4, NA2SO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCU7\n INCLUDE 'isrpia.inc'\nC\n LOGICAL PSCONV7\n DOUBLE PRECISION NH4I, NAI, NO3I, NH3AQ, NO3AQ, CLAQ, CAI, KI, MGI\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n FRST =.TRUE.\n CALAIN =.TRUE.\n CALAOU =.TRUE.\nC\n PSCONV7 =.TRUE.\n PSI70 =-GREAT ! GREAT = 1.D10\n ROOT7 = ZERO\nC\nC *** CALCULATE INITIAL SOLUTION ***************************************\nC\n CALL CALCU1A\nC\n CHI7 = CK2SO4 ! SALTS\n CHI9 = CCASO4\nC\n PSI1 = CNA2SO4\n PSI2 = CNANO3\n PSI3 = CNACL\n PSI4 = CNH4CL\n PSI5 = CNH4NO3\n PSI7 = CK2SO4\n PSI8 = CMGSO4\n PSI9 = CCASO4\nC\nC\n CALL CALCMR ! WATER\nC\n NAI = WAER(1) ! LIQUID CONCENTRATIONS\n SO4I = MAX (WAER(2) - WAER(6), ZERO)\n NH4I = WAER(3)\n NO3I = WAER(4)\n CLI = WAER(5)\n CAI = WAER(6)\n KI = WAER(7)\n MGI = WAER(8)\nC\n HSO4I = ZERO\n NH3AQ = ZERO\n NO3AQ = ZERO\n CLAQ = ZERO\nC\n MOLAL(1) = ZERO\n MOLAL(2) = NAI\n MOLAL(3) = NH4I\n MOLAL(4) = CLI\n MOLAL(5) = SO4I\n MOLAL(6) = HSO4I\n MOLAL(7) = NO3I\n MOLAL(8) = CAI\n MOLAL(9) = KI\n MOLAL(10)= MGI\nC\n CALL CALCACT ! CALCULATE ACTIVITY COEFFICIENTS\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A7 = XK17 *(WATER/GAMA(17))**3.0 ! K2SO4 <==> K+\n AKW = XKW*RH*WATER*WATER ! H2O <==> H+\nC\nC POTASSIUM SULFATE\nC\n IF (KI*KI*SO4I .GT. A7) THEN\n BB =-((WAER(2)-WAER(6)) + WAER(7))\n CC = WAER(7)*(WAER(2)-WAER(6)) + 0.25D0*WAER(7)*WAER(7)\n DD =-0.25*(WAER(7)*WAER(7)*(WAER(2)-WAER(6)) - A7)\n CALL POLY3(BB, CC, DD, ROOT7, ISLV)\n IF (ISLV.NE.0) ROOT7 = TINY\n ROOT7 = MAX (ROOT7, ZERO)\n ROOT7 = MIN (ROOT7,WAER(7)/2.0,MAX(WAER(2)-WAER(6),ZERO),CHI7)\n PSI7 = CHI7-ROOT7\n ENDIF\n PSCONV7 = ABS(PSI7-PSI70) .LE. EPS*PSI70\n PSI70 = PSI7\nC\nC ION CONCENTRATIONS ; CORRECTIONS\nC\n KI = MAX (WAER(7) - 2.D0*ROOT7, ZERO)\n SO4I = MAX (WAER(2) - WAER(6) - ROOT7, ZERO)\n NH4I = WAER(3)\n NO3I = WAER(4)\n CLI = WAER(5)\n CAI = ZERO\n NAI = WAER(1)\n MGI = WAER(8)\nC\nC SOLUTION ACIDIC OR BASIC?\nC\n GG = 2.D0*SO4I + NO3I + CLI - NAI - NH4I\n & - 2.D0*CAI - KI - 2.D0*MGI\n IF (GG.GT.TINY) THEN ! H+ in excess\n BB =-GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n HI = 0.5D0*(-BB + SQRT(DD))\n OHI= AKW/HI\n ELSE ! OH- in excess\n BB = GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n OHI= 0.5D0*(-BB + SQRT(DD))\n HI = AKW/OHI\n ENDIF\nC IF (HI.LE.TINY) HI = SQRT(AKW)\nC OHI = AKW/HI\nC\nC UNDISSOCIATED SPECIES EQUILIBRIA\nC\n IF (HI.GT.OHI) THEN\nC CALL CALCAMAQ2 (-GG, NH4I, OHI, NH3AQ)\nC HI = AKW/OHI\nC HSO4I = ZERO\nC ELSE\nC GGNO3 = MAX(2.D0*SO4I + NO3I - NAI - NH4I - 2.D0*CAI\nC & - KI - 2.D0*MGI, ZERO)\nC GGCL = MAX(GG-GGNO3, ZERO)\nC IF (GGCL .GT.TINY) CALL CALCCLAQ2 (GGCL, CLI, HI, CLAQ) ! HCl\nC IF (GGNO3.GT.TINY) THEN\nC IF (GGCL.LE.TINY) HI = ZERO\nC CALL CALCNIAQ2 (GGNO3, NO3I, HI, NO3AQ) ! HNO3\nC ENDIF\nC\nC CONCENTRATION ADJUSTMENTS ; HSO4 minor species.\nC\n CALL CALCHS4 (HI, SO4I, ZERO, DEL)\n else\n del= zero\n ENDIF\n SO4I = SO4I - DEL\n HI = HI - DEL\n HSO4I = DEL\nC IF (HI.LE.TINY) HI = SQRT(AKW)\n OHI = AKW/HI\nC\n IF (HI.LE.TINY) THEN\n HI = SQRT(AKW)\n OHI = AKW/HI\n ENDIF\nC\nC *** SAVE CONCENTRATIONS IN MOLAL ARRAY ******************************\nC\n MOLAL(1) = HI\n MOLAL(2) = NAI\n MOLAL(3) = NH4I\n MOLAL(4) = CLI\n MOLAL(5) = SO4I\n MOLAL(6) = HSO4I\n MOLAL(7) = NO3I\n MOLAL(8) = CAI\n MOLAL(9) = KI\n MOLAL(10)= MGI\nC\nC *** CALCULATE WATER **************************************************\nC\n CALL CALCMR\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n IF (PSCONV7) GOTO 20\n ENDIF\n10 CONTINUE\nccc CALL PUSHERR (0002, 'CALCU7') ! WARNING ERROR: NO CONVERGENCE\nC\nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n20 A2 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2. ! NH3 <==> NH4+\n A3 = XK4 *R*TEMP*(WATER/GAMA(10))**2. ! HNO3 <==> NO3-\n A4 = XK3 *R*TEMP*(WATER/GAMA(11))**2. ! HCL <==> CL-\nC\n GNH3 = NH4I/HI/A2\n GHNO3 = HI*NO3I/A3\n GHCL = HI*CLI /A4\nC\n GASAQ(1)= NH3AQ\n GASAQ(2)= CLAQ\n GASAQ(3)= NO3AQ\nC\n CNH42S4 = ZERO\n CNH4NO3 = ZERO\n CNH4CL = ZERO\n CNACL = ZERO\n CNANO3 = ZERO\n CNA2SO4 = ZERO\n CMGSO4 = ZERO\n CK2SO4 = CHI7 - PSI7\n CCASO4 = MIN (WAER(6), WAER(2))\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCU7 ******************************************\nC\n END\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCU6\nC *** CASE U6\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SO4RAT > 2.0), Cr+NA poor (CRNARAT < 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : K2SO4, CASO4, NA2SO4\nC 4. Completely dissolved: NH4NO3, NH4CL, NANO3, NACL, MGSO4\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCU6\n INCLUDE 'isrpia.inc'\nC\n LOGICAL PSCONV7, PSCONV1\n DOUBLE PRECISION NH4I, NAI, NO3I, NH3AQ, NO3AQ, CLAQ, CAI, KI, MGI\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n FRST =.TRUE.\n CALAIN =.TRUE.\n CALAOU =.TRUE.\nC\n PSCONV7 =.TRUE.\n PSCONV1 =.TRUE.\nC\n PSI70 =-GREAT ! GREAT = 1.D10\n PSI1O =-GREAT\nC\n ROOT7 = ZERO\n ROOT1 = ZERO\nC\nC *** CALCULATE INITIAL SOLUTION ***************************************\nC\n CALL CALCU1A\nC\n CHI1 = CNA2SO4 ! SALTS\n CHI7 = CK2SO4\n CHI9 = CCASO4\nC\n PSI1 = CNA2SO4\n PSI2 = CNANO3\n PSI3 = CNACL\n PSI4 = CNH4CL\n PSI5 = CNH4NO3\n PSI7 = CK2SO4\n PSI8 = CMGSO4\n PSI9 = CCASO4\nC\n CALL CALCMR ! WATER\nC\n NAI = WAER(1) ! LIQUID CONCENTRATIONS\n SO4I = MAX (WAER(2) - WAER(6), ZERO)\n NH4I = WAER(3)\n NO3I = WAER(4)\n CLI = WAER(5)\n CAI = WAER(6)\n KI = WAER(7)\n MGI = WAER(8)\nC\n HSO4I = ZERO\n NH3AQ = ZERO\n NO3AQ = ZERO\n CLAQ = ZERO\nC\n MOLAL(1) = ZERO\n MOLAL(2) = NAI\n MOLAL(3) = NH4I\n MOLAL(4) = CLI\n MOLAL(5) = SO4I\n MOLAL(6) = HSO4I\n MOLAL(7) = NO3I\n MOLAL(8) = CAI\n MOLAL(9) = KI\n MOLAL(10)= MGI\nC\n CALL CALCACT ! CALCULATE ACTIVITY COEFFICIENTS\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A7 = XK17 *(WATER/GAMA(17))**3.0 ! K2SO4 <==> K+\n A1 = XK5 *(WATER/GAMA(2))**3.0 ! NA2S04 <==> Na+\n AKW = XKW*RH*WATER*WATER ! H2O <==> H+\nC\nC POTASSIUM SULFATE\nC\n IF (KI*KI*SO4I .GT. A7) THEN\n BB =-((WAER(2)-WAER(6)) + WAER(7) - ROOT1)\n CC = WAER(7)*((WAER(2)-WAER(6)) - ROOT1) + 0.25*WAER(7)*WAER(7)\n DD =-0.25*(WAER(7)*WAER(7)*((WAER(2)-WAER(6)) - ROOT1) - A7)\n CALL POLY3(BB, CC, DD, ROOT7, ISLV)\n IF (ISLV.NE.0) ROOT7 = TINY\n ROOT7 = MAX (ROOT7, ZERO)\n ROOT7 = MIN (ROOT7, WAER(7)/2.0,\n & MAX((WAER(2)-WAER(6)) - ROOT1,ZERO), CHI7)\n PSI7 = CHI7-ROOT7\n\n ENDIF\n PSCONV7 = ABS(PSI7-PSI70) .LE. EPS*PSI70\n PSI70 = PSI7\nC\nC SODIUM SULFATE\nC\n IF (NAI*NAI*SO4I .GT. A1) THEN\n BB =-((WAER(2)-WAER(6)) + WAER(1) - ROOT7)\n CC = WAER(1)*((WAER(2)-WAER(6)) - ROOT7) + 0.25*WAER(1)*WAER(1)\n DD =-0.25*(WAER(1)*WAER(1)*((WAER(2)-WAER(6)) - ROOT7) - A1)\n CALL POLY3(BB, CC, DD, ROOT1, ISLV)\n IF (ISLV.NE.0) ROOT1 = TINY\n ROOT1 = MAX (ROOT1, ZERO)\n ROOT1 = MIN (ROOT1, WAER(1)/2.0,\n & MAX((WAER(2)-WAER(6)) - ROOT7, ZERO) ,CHI1)\n PSI1 = CHI1-ROOT1\n ENDIF\n PSCONV1 = ABS(PSI1-PSI1O) .LE. EPS*PSI1O\n PSI1O = PSI1\nC\nC ION CONCENTRATIONS ; CORRECTIONS\nC\n KI = MAX (WAER(7) - 2.D0*ROOT7, ZERO)\n NAI = MAX (WAER(1) - 2.D0*ROOT1, ZERO)\n SO4I = MAX (WAER(2) - WAER(6) - ROOT7 - ROOT1, ZERO)\n NH4I = WAER(3)\n NO3I = WAER(4)\n CLI = WAER(5)\n CAI = ZERO\n MGI = WAER(8)\nC\nC SOLUTION ACIDIC OR BASIC?\nC\n GG = 2.D0*SO4I + NO3I + CLI - NAI - NH4I\n & - 2.D0*CAI - KI - 2.D0*MGI\n IF (GG.GT.TINY) THEN ! H+ in excess\n BB =-GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n HI = 0.5D0*(-BB + SQRT(DD))\n OHI= AKW/HI\n ELSE ! OH- in excess\n BB = GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n OHI= 0.5D0*(-BB + SQRT(DD))\n HI = AKW/OHI\n ENDIF\nC IF (HI.LE.TINY) HI = SQRT(AKW)\nC OHI = AKW/HI\nC\nC UNDISSOCIATED SPECIES EQUILIBRIA\nC\n IF (HI.GT.OHI) THEN\nC CALL CALCAMAQ2 (-GG, NH4I, OHI, NH3AQ)\nC HI = AKW/OHI\nC HSO4I = ZERO\nC ELSE\nC GGNO3 = MAX(2.D0*SO4I + NO3I - NAI - NH4I - 2.D0*CAI\nC & - KI - 2.D0*MGI, ZERO)\nC GGCL = MAX(GG-GGNO3, ZERO)\nC IF (GGCL .GT.TINY) CALL CALCCLAQ2 (GGCL, CLI, HI, CLAQ) ! HCl\nC IF (GGNO3.GT.TINY) THEN\nC IF (GGCL.LE.TINY) HI = ZERO\nC CALL CALCNIAQ2 (GGNO3, NO3I, HI, NO3AQ) ! HNO3\nC ENDIF\nC\nC CONCENTRATION ADJUSTMENTS ; HSO4 minor species.\nC\n CALL CALCHS4 (HI, SO4I, ZERO, DEL)\n else\n del= zero\n ENDIF\n SO4I = SO4I - DEL\n HI = HI - DEL\n HSO4I = DEL\nC IF (HI.LE.TINY) HI = SQRT(AKW)\n OHI = AKW/HI\nC\n IF (HI.LE.TINY) THEN\n HI = SQRT(AKW)\n OHI = AKW/HI\n ENDIF\nC\nC *** SAVE CONCENTRATIONS IN MOLAL ARRAY ******************************\nC\n MOLAL(1) = HI\n MOLAL(2) = NAI\n MOLAL(3) = NH4I\n MOLAL(4) = CLI\n MOLAL(5) = SO4I\n MOLAL(6) = HSO4I\n MOLAL(7) = NO3I\n MOLAL(8) = CAI\n MOLAL(9) = KI\n MOLAL(10)= MGI\nC\nC *** CALCULATE WATER **************************************************\nC\n CALL CALCMR\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n IF (PSCONV7 .AND. PSCONV1) GOTO 20\n ENDIF\n10 CONTINUE\nccc CALL PUSHERR (0002, 'CALCU6') ! WARNING ERROR: NO CONVERGENCE\nC\nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n20 A2 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2. ! NH3 <==> NH4+\n A3 = XK4 *R*TEMP*(WATER/GAMA(10))**2. ! HNO3 <==> NO3-\n A4 = XK3 *R*TEMP*(WATER/GAMA(11))**2. ! HCL <==> CL-\nC\n GNH3 = NH4I/HI/A2\n GHNO3 = HI*NO3I/A3\n GHCL = HI*CLI /A4\nC\n GASAQ(1)= NH3AQ\n GASAQ(2)= CLAQ\n GASAQ(3)= NO3AQ\nC\n CNH42S4 = ZERO\n CNH4NO3 = ZERO\n CNH4CL = ZERO\n CNACL = ZERO\n CNANO3 = ZERO\n CNA2SO4 = CHI1 - PSI1\n CMGSO4 = ZERO\n CK2SO4 = CHI7 - PSI7\n CCASO4 = MIN (WAER(6), WAER(2))\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCU6******************************************\nC\n END\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCU5\nC *** CASE U5\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SO4RAT > 2.0), Cr+NA poor (CRNARAT < 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : K2SO4, CASO4, NA2SO4, MGSO4\nC 4. Completely dissolved: NH4NO3, NH4CL, NANO3, NACL\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCU5\n INCLUDE 'isrpia.inc'\nC\n LOGICAL PSCONV7, PSCONV1\n DOUBLE PRECISION NH4I, NAI, NO3I, NH3AQ, NO3AQ, CLAQ, CAI, KI, MGI\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n FRST =.TRUE.\n CALAIN =.TRUE.\n CALAOU =.TRUE.\nC\n PSCONV7 =.TRUE.\n PSCONV1 =.TRUE.\nC\n PSI70 =-GREAT ! GREAT = 1.D10\n PSI1O =-GREAT\nC\n ROOT7 = ZERO\n ROOT1 = ZERO\nC\nC *** CALCULATE INITIAL SOLUTION ***************************************\nC\n CALL CALCU1A\nC\n CHI1 = CNA2SO4 ! SALTS\n CHI7 = CK2SO4\n CHI8 = CMGSO4\n CHI9 = CCASO4\nC\n PSI1 = CNA2SO4\n PSI2 = CNANO3\n PSI3 = CNACL\n PSI4 = CNH4CL\n PSI5 = CNH4NO3\n PSI7 = CK2SO4\n PSI8 = CMGSO4\n PSI9 = CCASO4\nC\n CALL CALCMR ! WATER\nC\n NAI = WAER(1) ! LIQUID CONCENTRATIONS\n SO4I = MAX (WAER(2) - WAER(6), ZERO)\n NH4I = WAER(3)\n NO3I = WAER(4)\n CLI = WAER(5)\n CAI = WAER(6)\n KI = WAER(7)\n MGI = WAER(8)\nC\n HSO4I = ZERO\n NH3AQ = ZERO\n NO3AQ = ZERO\n CLAQ = ZERO\nC\n MOLAL(1) = ZERO\n MOLAL(2) = NAI\n MOLAL(3) = NH4I\n MOLAL(4) = CLI\n MOLAL(5) = SO4I\n MOLAL(6) = HSO4I\n MOLAL(7) = NO3I\n MOLAL(8) = CAI\n MOLAL(9) = KI\n MOLAL(10)= MGI\nC\n CALL CALCACT ! CALCULATE ACTIVITY COEFFICIENTS\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\n A7 = XK17 *(WATER/GAMA(17))**3.0 ! K2SO4 <==> K+\n A1 = XK5 *(WATER/GAMA(2))**3.0 ! NA2S04 <==> Na+\n AKW = XKW*RH*WATER*WATER ! H2O <==> H+\nC\nC POTASSIUM SULFATE\nC\n IF (KI*KI*SO4I .GT. A7) THEN\n BB =-((WAER(2)-WAER(6)) + WAER(7) - ROOT1)\n CC = WAER(7)*((WAER(2)-WAER(6)) - ROOT1) + 0.25*WAER(7)*WAER(7)\n DD =-0.25*(WAER(7)*WAER(7)*((WAER(2)-WAER(6)) - ROOT1) - A7)\n CALL POLY3(BB, CC, DD, ROOT7, ISLV)\n IF (ISLV.NE.0) ROOT7 = TINY\n ROOT7 = MAX (ROOT7, ZERO)\n ROOT7 = MIN (ROOT7, WAER(7)/2.0,\n & MAX(WAER(2)-WAER(6)-ROOT1, ZERO),CHI7)\n PSI7 = CHI7-ROOT7\n ENDIF\n PSCONV7 = ABS(PSI7-PSI70) .LE. EPS*PSI70\n PSI70 = PSI7\nC\nC SODIUM SULFATE\nC\n IF (NAI*NAI*SO4I .GT. A1) THEN\n BB =-((WAER(2)-WAER(6)) + WAER(1) - ROOT7)\n CC = WAER(1)*((WAER(2)-WAER(6)) - ROOT7) + 0.25*WAER(1)*WAER(1)\n DD =-0.25*(WAER(1)*WAER(1)*((WAER(2)-WAER(6)) - ROOT7) - A1)\n CALL POLY3(BB, CC, DD, ROOT1, ISLV)\n IF (ISLV.NE.0) ROOT1 = TINY\n ROOT1 = MAX (ROOT1, ZERO)\n ROOT1 = MIN (ROOT1, WAER(1)/2.0,\n & MAX(WAER(2)-WAER(6)-ROOT7, ZERO),CHI1)\n PSI1 = CHI1-ROOT1\n ENDIF\n PSCONV1 = ABS(PSI1-PSI1O) .LE. EPS*PSI1O\n PSI1O = PSI1\nC\nC ION CONCENTRATIONS ; CORRECTIONS\nC\n KI = MAX (WAER(7) - 2.D0*ROOT7, ZERO)\n NAI = MAX (WAER(1) - 2.D0*ROOT1, ZERO)\n SO4I = MAX (WAER(2)-WAER(6) - ROOT7 - ROOT1, ZERO)\n NH4I = WAER(3)\n NO3I = WAER(4)\n CLI = WAER(5)\n CAI = ZERO\n MGI = WAER(8)\nC\nC SOLUTION ACIDIC OR BASIC?\nC\n GG = 2.D0*SO4I + NO3I + CLI - NAI - NH4I\n & - 2.D0*CAI - KI - 2.D0*MGI\n IF (GG.GT.TINY) THEN ! H+ in excess\n BB =-GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n HI = 0.5D0*(-BB + SQRT(DD))\n OHI= AKW/HI\n ELSE ! OH- in excess\n BB = GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n OHI= 0.5D0*(-BB + SQRT(DD))\n HI = AKW/OHI\n ENDIF\nC IF (HI.LE.TINY) HI = SQRT(AKW)\nC OHI = AKW/HI\nC\nC UNDISSOCIATED SPECIES EQUILIBRIA\nC\n IF (HI.GT.OHI) THEN\nC CALL CALCAMAQ2 (-GG, NH4I, OHI, NH3AQ)\nC HI = AKW/OHI\nC HSO4I = ZERO\nC ELSE\nC GGNO3 = MAX(2.D0*SO4I + NO3I - NAI - NH4I - 2.D0*CAI\nC & - KI - 2.D0*MGI, ZERO)\nC GGCL = MAX(GG-GGNO3, ZERO)\nC IF (GGCL .GT.TINY) CALL CALCCLAQ2 (GGCL, CLI, HI, CLAQ) ! HCl\nC IF (GGNO3.GT.TINY) THEN\nC IF (GGCL.LE.TINY) HI = ZERO\nC CALL CALCNIAQ2 (GGNO3, NO3I, HI, NO3AQ) ! HNO3\nC ENDIF\nC\nC CONCENTRATION ADJUSTMENTS ; HSO4 minor species.\nC\n CALL CALCHS4 (HI, SO4I, ZERO, DEL)\n else\n del= zero\n ENDIF\n SO4I = SO4I - DEL\n HI = HI - DEL\n HSO4I = DEL\nC IF (HI.LE.TINY) HI = SQRT(AKW)\n OHI = AKW/HI\nC\n IF (HI.LE.TINY) THEN\n HI = SQRT(AKW)\n OHI = AKW/HI\n ENDIF\nC\nC *** SAVE CONCENTRATIONS IN MOLAL ARRAY ******************************\nC\n MOLAL(1) = HI\n MOLAL(2) = NAI\n MOLAL(3) = NH4I\n MOLAL(4) = CLI\n MOLAL(5) = SO4I\n MOLAL(6) = HSO4I\n MOLAL(7) = NO3I\n MOLAL(8) = CAI\n MOLAL(9) = KI\n MOLAL(10)= MGI\nC\nC *** CALCULATE WATER **************************************************\nC\n CALL CALCMR\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n IF (PSCONV7 .AND. PSCONV1) GOTO 20\n ENDIF\n10 CONTINUE\nccc CALL PUSHERR (0002, 'CALCU5') ! WARNING ERROR: NO CONVERGENCE\nC\nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n20 A2 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2. ! NH3 <==> NH4+\n A3 = XK4 *R*TEMP*(WATER/GAMA(10))**2. ! HNO3 <==> NO3-\n A4 = XK3 *R*TEMP*(WATER/GAMA(11))**2. ! HCL <==> CL-\nC\n GNH3 = NH4I/HI/A2\n GHNO3 = HI*NO3I/A3\n GHCL = HI*CLI /A4\nC\n GASAQ(1)= NH3AQ\n GASAQ(2)= CLAQ\n GASAQ(3)= NO3AQ\nC\n CNH42S4 = ZERO\n CNH4NO3 = ZERO\n CNH4CL = ZERO\n CNACL = ZERO\n CNANO3 = ZERO\n CNA2SO4 = CHI1 - PSI1\n CMGSO4 = ZERO\n CK2SO4 = CHI7 - PSI7\n CCASO4 = MIN (WAER(6), WAER(2))\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCU5******************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCU4\nC *** CASE U4\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SO4RAT > 2.0), (DUST + SODIUM) RICH: R(Cr+Na)>2; DUST POOR: Rcr<2.\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : K2SO4, CASO4, NA2SO4, MGSO4, NH4CL\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCU4\n INCLUDE 'isrpia.inc'\n LOGICAL EXAN, EXAC, EXSN, EXSC\n EXTERNAL CALCU1A, CALCU5\nC\nC *** SOLVE FOR DRY CASE AND SEE WHICH SOLIDS ARE POSSIBLE **************\nC\n SCASE = 'U4 ; SUBCASE 2'\n CALL CALCU1A ! SOLID\n SCASE = 'U4 ; SUBCASE 2'\nC\n EXAN = CNH4NO3.GT.TINY ! NH4NO3\n EXAC = CNH4CL .GT.TINY ! NH4CL\n EXSN = CNANO3 .GT.TINY ! NANO3\n EXSC = CNACL .GT.TINY ! NACL\nC\nC *** REGIME DEPENDS ON RELATIVE HUMIDITY AND POSSIBLE SPECIES **********\nC\n IF (EXAN .OR. EXSN .OR. EXSC) THEN ! *** NH4NO3,NANO3 EXIST\n IF (RH.GE.DRMM1) THEN\n SCASE = 'U4 ; SUBCASE 1'\n CALL CALCU4A\n SCASE = 'U4 ; SUBCASE 1'\n ENDIF\nC\n ELSE IF (EXAC) THEN ! *** NH4CL EXISTS ONLY\n IF (RH.GE.DRMR5) THEN\n SCASE = 'U4 ; SUBCASE 3'\n CALL CALCMDRPII (RH, DRMR5, DRNH4CL, CALCU1A, CALCU5)\n SCASE = 'U4 ; SUBCASE 3'\n ENDIF\n ENDIF\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCU4 ******************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCU4A\nC *** CASE U4A\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SO4RAT > 2.0), Cr+NA poor (CRNARAT < 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : K2SO4, CASO4, NA2SO4, MGSO4, NH4CL\nC 4. Completely dissolved: NH4NO3, NANO3, NACL\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCU4A\n INCLUDE 'isrpia.inc'\nC\n LOGICAL PSCONV7, PSCONV1, PSCONV4\n DOUBLE PRECISION NH4I, NAI, NO3I, NH3AQ, NO3AQ, CLAQ, CAI, KI, MGI\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n FRST =.TRUE.\n CALAIN =.TRUE.\n CALAOU =.TRUE.\nC\n PSCONV7 =.FALSE.\n PSCONV1 =.FALSE.\n PSCONV4 =.FALSE.\nC\n PSI70 =-GREAT ! GREAT = 1.D10\n PSI1O =-GREAT\n PSI40 =-GREAT\nC\n ROOT7 = ZERO\n ROOT1 = ZERO\n ROOT4 = ZERO\nC\nC *** CALCULATE INITIAL SOLUTION ***************************************\nC\n CALL CALCU1A\nC\n CHI1 = CNA2SO4 ! SALTS\n CHI4 = CNH4CL\n CHI7 = CK2SO4\n CHI8 = CMGSO4\n CHI9 = CCASO4\nC\n PSI1 = CNA2SO4\n PSI2 = CNANO3\n PSI3 = CNACL\n PSI4 = CNH4CL\n PSI5 = CNH4NO3\n PSI7 = CK2SO4\n PSI8 = CMGSO4\n PSI9 = CCASO4\nC\n CALL CALCMR ! WATER\nC\n NAI = WAER(1) ! LIQUID CONCENTRATIONS\n SO4I = MAX (WAER(2) - WAER(6), ZERO)\n NH4I = WAER(3)\n NO3I = WAER(4)\n CLI = WAER(5)\n CAI = WAER(6)\n KI = WAER(7)\n MGI = WAER(8)\nC\n HSO4I = ZERO\n NH3AQ = ZERO\n NO3AQ = ZERO\n CLAQ = ZERO\nC\n MOLAL(1) = ZERO\n MOLAL(2) = NAI\n MOLAL(3) = NH4I\n MOLAL(4) = CLI\n MOLAL(5) = SO4I\n MOLAL(6) = HSO4I\n MOLAL(7) = NO3I\n MOLAL(8) = CAI\n MOLAL(9) = KI\n MOLAL(10)= MGI\nC\n CALL CALCACT ! CALCULATE ACTIVITY COEFFICIENTS\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A7 = XK17 *(WATER/GAMA(17))**3.0 ! K2SO4 <==> K+\n A1 = XK5 *(WATER/GAMA(2))**3.0 ! NA2S04 <==> Na+\n A14 = XK14*(WATER/GAMA(6))**2.0 ! NH4Cl <==> NH4+\n AKW = XKW*RH*WATER*WATER ! H2O <==> H+\nC\nC POTASSIUM SULFATE\nC\n IF (KI*KI*SO4I .GT. A7) THEN\n BB =-((WAER(2)-WAER(6)) + WAER(7) - ROOT1)\n CC = WAER(7)*((WAER(2)-WAER(6)) - ROOT1) + 0.25*WAER(7)*WAER(7)\n DD =-0.25*(WAER(7)*WAER(7)*((WAER(2)-WAER(6)) - ROOT1) - A7)\n CALL POLY3(BB, CC, DD, ROOT7, ISLV)\n IF (ISLV.NE.0) ROOT7 = TINY\n ROOT7 = MAX (ROOT7, ZERO)\n ROOT7 = MIN (ROOT7, WAER(7)/2.0,\n & MAX(WAER(2)-WAER(6)-ROOT1, ZERO), CHI7)\n PSI7 = CHI7-ROOT7\n ENDIF\n PSCONV7 = ABS(PSI7-PSI70) .LE. EPS*PSI70\n PSI70 = PSI7\nC\nC SODIUM SULFATE\nC\n IF (NAI*NAI*SO4I .GT. A1) THEN\n BB =-((WAER(2)-WAER(6)) + WAER(1) - ROOT7)\n CC = WAER(1)*((WAER(2)-WAER(6)) - ROOT7) + 0.25*WAER(1)*WAER(1)\n DD =-0.25*(WAER(1)*WAER(1)*((WAER(2)-WAER(6)) - ROOT7) - A1)\n CALL POLY3(BB, CC, DD, ROOT1, ISLV)\n IF (ISLV.NE.0) ROOT1 = TINY\n ROOT1 = MAX (ROOT1, ZERO)\n ROOT1 = MIN (ROOT1, WAER(1)/2.0,\n & MAX (WAER(2)-WAER(6)-ROOT7, ZERO), CHI1)\n PSI1 = CHI1-ROOT1\n ENDIF\n PSCONV1 = ABS(PSI1-PSI1O) .LE. EPS*PSI1O\n PSI1O = PSI1\nC\nC AMMONIUM CHLORIDE\nC\n IF (NH4I*CLI .GT. A14) THEN\n BB =-(NH4I + CLI)\n CC =-A14 + NH4I*CLI\n DD = BB*BB - 4.D0*CC\n ROOT4 = 0.5D0*(-BB-SQRT(DD))\n IF (ROOT4.GT.TINY) THEN\n ROOT4 = MIN(MAX (ROOT4, ZERO), CHI4)\n PSI4 = CHI4 - ROOT4\n ENDIF\n ENDIF\n PSCONV4 = ABS(PSI4-PSI40) .LE. EPS*PSI40\n PSI40 = PSI4\nC\nC ION CONCENTRATIONS ; CORRECTIONS\nC\n KI = MAX (WAER(7) - 2.D0*ROOT7, ZERO)\n NAI = MAX (WAER(1) - 2.D0*ROOT1, ZERO)\n SO4I = MAX (WAER(2) - WAER(6) - ROOT7 - ROOT1, ZERO)\n NH4I = MAX (WAER(3) - ROOT4, ZERO)\n NO3I = WAER(4)\n CLI = MAX (WAER(5) - ROOT4, ZERO)\n CAI = ZERO\n MGI = WAER(8)\nC\nC SOLUTION ACIDIC OR BASIC?\nC\n GG = 2.D0*SO4I + NO3I + CLI - NAI - NH4I\n & - 2.D0*CAI - KI - 2.D0*MGI\n IF (GG.GT.TINY) THEN ! H+ in excess\n BB =-GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n HI = 0.5D0*(-BB + SQRT(DD))\n OHI= AKW/HI\n ELSE ! OH- in excess\n BB = GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n OHI= 0.5D0*(-BB + SQRT(DD))\n HI = AKW/OHI\n ENDIF\nC IF (HI.LE.TINY) HI = SQRT(AKW)\nC OHI = AKW/HI\nC\nC UNDISSOCIATED SPECIES EQUILIBRIA\nC\n IF (HI.GT.OHI) THEN\nC CALL CALCAMAQ2 (-GG, NH4I, OHI, NH3AQ)\nC HI = AKW/OHI\nC HSO4I = ZERO\nC ELSE\nC GGNO3 = MAX(2.D0*SO4I + NO3I - NAI - NH4I - 2.D0*CAI\nC & - KI - 2.D0*MGI, ZERO)\nC GGCL = MAX(GG-GGNO3, ZERO)\nC IF (GGCL .GT.TINY) CALL CALCCLAQ2 (GGCL, CLI, HI, CLAQ) ! HCl\nC IF (GGNO3.GT.TINY) THEN\nC IF (GGCL.LE.TINY) HI = ZERO\nC CALL CALCNIAQ2 (GGNO3, NO3I, HI, NO3AQ) ! HNO3\nC ENDIF\nC\nC CONCENTRATION ADJUSTMENTS ; HSO4 minor species.\nC\n CALL CALCHS4 (HI, SO4I, ZERO, DEL)\n else\n del= zero\n ENDIF\n SO4I = SO4I - DEL\n HI = HI - DEL\n HSO4I = DEL\nC IF (HI.LE.TINY) HI = SQRT(AKW)\n OHI = AKW/HI\nC\n IF (HI.LE.TINY) THEN\n HI = SQRT(AKW)\n OHI = AKW/HI\n ENDIF\nC\nC *** SAVE CONCENTRATIONS IN MOLAL ARRAY ******************************\nC\n MOLAL(1) = HI\n MOLAL(2) = NAI\n MOLAL(3) = NH4I\n MOLAL(4) = CLI\n MOLAL(5) = SO4I\n MOLAL(6) = HSO4I\n MOLAL(7) = NO3I\n MOLAL(8) = CAI\n MOLAL(9) = KI\n MOLAL(10)= MGI\nC\nC *** CALCULATE WATER **************************************************\nC\n CALL CALCMR\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n IF (PSCONV7 .AND. PSCONV1 .AND. PSCONV4) GOTO 20\n ENDIF\n10 CONTINUE\nccc CALL PUSHERR (0002, 'CALCU4') ! WARNING ERROR: NO CONVERGENCE\nC\nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n20 A2 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2. ! NH3 <==> NH4+\n A3 = XK4 *R*TEMP*(WATER/GAMA(10))**2. ! HNO3 <==> NO3-\n A4 = XK3 *R*TEMP*(WATER/GAMA(11))**2. ! HCL <==> CL-\nC\n GNH3 = NH4I/HI/A2\n GHNO3 = HI*NO3I/A3\n GHCL = HI*CLI /A4\nC\n GASAQ(1)= NH3AQ\n GASAQ(2)= CLAQ\n GASAQ(3)= NO3AQ\nC\n CNH42S4 = ZERO\n CNH4NO3 = ZERO\n CNH4CL = CHI4 - PSI4\n CNACL = ZERO\n CNANO3 = ZERO\n CNA2SO4 = CHI1 - PSI1\n CMGSO4 = ZERO\n CK2SO4 = CHI7 - PSI7\n CCASO4 = MIN (WAER(6), WAER(2))\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCU4A ****************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCU3\nC *** CASE U3\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SO4RAT > 2.0), (DUST + SODIUM) RICH: R(Cr+Na)>2; DUST POOR: Rcr<2.\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : K2SO4, CASO4, NA2SO4, MGSO4, NH4CL, NANO3\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCU3\n INCLUDE 'isrpia.inc'\n LOGICAL EXAN, EXAC, EXSN, EXSC\n EXTERNAL CALCU1A, CALCU4A, CALCU5\nC\nC *** SOLVE FOR DRY CASE AND SEE WHICH SOLIDS ARE POSSIBLE **************\nC\n SCASE = 'U3 ; SUBCASE 2'\n CALL CALCU1A ! SOLID\n SCASE = 'U3 ; SUBCASE 2'\nC\n EXAN = CNH4NO3.GT.TINY ! NH4NO3\n EXAC = CNH4CL .GT.TINY ! NH4CL\n EXSN = CNANO3 .GT.TINY ! NANO3\n EXSC = CNACL .GT.TINY ! NACL\nC\nC *** REGIME DEPENDS ON RELATIVE HUMIDITY AND POSSIBLE SPECIES **********\nC\n IF (EXAN .OR. EXSN) THEN ! *** NH4NO3,NANO3 EXIST\n IF (RH.GE.DRMM1) THEN\n SCASE = 'U3 ; SUBCASE 1'\n CALL CALCU3A\n SCASE = 'U3 ; SUBCASE 1'\n ENDIF\nC\n ELSE IF (.NOT.EXAN .AND. .NOT.EXSN) THEN ! *** NH4NO3,NANO3 = 0\n IF ( EXAC .AND. EXSC) THEN\n IF (RH.GE.DRMR4) THEN\n SCASE = 'U3 ; SUBCASE 3'\n CALL CALCMDRPII (RH, DRMR4, DRNACL, CALCU1A, CALCU4A)\n SCASE = 'U3 ; SUBCASE 3'\n ENDIF\n\n ELSE IF (.NOT.EXAC .AND. EXSC) THEN\n IF (RH.GE.DRMR2) THEN\n SCASE = 'U3 ; SUBCASE 4'\n CALL CALCMDRPII (RH, DRMR2, DRNACL, CALCU1A, CALCU4A)\n SCASE = 'U3 ; SUBCASE 4'\n ENDIF\n\n ELSE IF ( EXAC .AND. .NOT.EXSC) THEN\n IF (RH.GE.DRMR5) THEN\n SCASE = 'U3 ; SUBCASE 5'\n CALL CALCMDRPII (RH, DRMR5, DRNACL, CALCU1A, CALCU5)\n SCASE = 'U3 ; SUBCASE 5'\n ENDIF\n ENDIF\nC\n ENDIF\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCU3 ******************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCU3A\nC *** CASE U3A\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SO4RAT > 2.0), Cr+NA poor (CRNARAT < 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : K2SO4, CASO4, NA2SO4, MGSO4, NH4CL, NACL\nC 4. Completely dissolved: NH4NO3, NANO3\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCU3A\n INCLUDE 'isrpia.inc'\nC\n LOGICAL PSCONV7, PSCONV1, PSCONV4, PSCONV3\n DOUBLE PRECISION NH4I, NAI, NO3I, NH3AQ, NO3AQ, CLAQ, CAI, KI, MGI\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n FRST =.TRUE.\n CALAIN =.TRUE.\n CALAOU =.TRUE.\nC\n PSCONV7 =.FALSE.\n PSCONV1 =.FALSE.\n PSCONV4 =.FALSE.\n PSCONV3 =.FALSE.\nC\n PSI70 =-GREAT ! GREAT = 1.D10\n PSI1O =-GREAT\n PSI40 =-GREAT\n PSI30 =-GREAT\nC\n ROOT7 = ZERO\n ROOT1 = ZERO\n ROOT4 = ZERO\n ROOT3 = ZERO\nC\nC *** CALCULATE INITIAL SOLUTION ***************************************\nC\n CALL CALCU1A\nC\n CHI1 = CNA2SO4 ! SALTS\n CHI3 = CNACL\n CHI4 = CNH4CL\n CHI7 = CK2SO4\n CHI8 = CMGSO4\n CHI9 = CCASO4\nC\n PSI1 = CNA2SO4 ! AMOUNT DISSOLVED\n PSI2 = CNANO3\n PSI3 = CNACL\n PSI4 = CNH4CL\n PSI5 = CNH4NO3\n PSI7 = CK2SO4\n PSI8 = CMGSO4\n PSI9 = CCASO4\nC\n CALL CALCMR ! WATER\nC\n NAI = WAER(1) ! LIQUID CONCENTRATIONS\n SO4I = MAX (WAER(2) - WAER(6), ZERO)\n NH4I = WAER(3)\n NO3I = WAER(4)\n CLI = WAER(5)\n CAI = WAER(6)\n KI = WAER(7)\n MGI = WAER(8)\nC\n HSO4I = ZERO\n NH3AQ = ZERO\n NO3AQ = ZERO\n CLAQ = ZERO\nC\n MOLAL(1) = ZERO\n MOLAL(2) = NAI\n MOLAL(3) = NH4I\n MOLAL(4) = CLI\n MOLAL(5) = SO4I\n MOLAL(6) = HSO4I\n MOLAL(7) = NO3I\n MOLAL(8) = CAI\n MOLAL(9) = KI\n MOLAL(10)= MGI\nC\n CALL CALCACT ! CALCULATE ACTIVITY COEFFICIENTS\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A7 = XK17 *(WATER/GAMA(17))**3.0 ! K2SO4 <==> K+\n A1 = XK5 *(WATER/GAMA(2))**3.0 ! NA2S04 <==> Na+\n A14 = XK14*(WATER/GAMA(6))**2.0 ! NH4Cl <==> NH4+\n AKW = XKW*RH*WATER*WATER ! H2O <==> H+\n A8 = XK8 *(WATER/GAMA(1))**2.0 ! NaCl <==> Na+\nC\nC POTASSIUM SULFATE\nC\n IF (KI*KI*SO4I .GT. A7) THEN\n BB =-((WAER(2)-WAER(6)) + WAER(7) - ROOT1)\n CC = WAER(7)*((WAER(2)-WAER(6)) - ROOT1) + 0.25*WAER(7)*WAER(7)\n DD =-0.25*(WAER(7)*WAER(7)*((WAER(2)-WAER(6)) - ROOT1) - A7)\n CALL POLY3(BB, CC, DD, ROOT7, ISLV)\n IF (ISLV.NE.0) ROOT7 = TINY\n ROOT7 = MAX (ROOT7, ZERO)\n ROOT7 = MIN (ROOT7, WAER(7)/2.0,\n & MAX(WAER(2)-WAER(6)-ROOT1, ZERO),CHI7)\n PSI7 = CHI7-ROOT7\n ENDIF\n PSCONV7 = ABS(PSI7-PSI70) .LE. EPS*PSI70\n PSI70 = PSI7\nC\nC SODIUM SULFATE\nC\n IF (NAI*NAI*SO4I .GT. A1) THEN\n BB =-(((WAER(2)-WAER(6))-ROOT7)*(WAER(1) - ROOT3))\n CC = ((WAER(2) - WAER(6)) - ROOT7)*(WAER(1) - ROOT3) +\n & 0.25D0*(WAER(1) - ROOT3)**2.\n DD =-0.25D0*(((WAER(2) - WAER(6)) - ROOT7)*\n & (WAER(1) - ROOT3)**2.D0 - A1)\n CALL POLY3(BB, CC, DD, ROOT1, ISLV)\n IF (ISLV.NE.0) ROOT1 = TINY\n ROOT1 = MIN (MAX(ROOT1, ZERO), MAX(WAER(1) - ROOT3, ZERO),\n & CHI1, MAX(WAER(2)-WAER(6), ZERO))\n PSI1 = CHI1-ROOT1\n ENDIF\n PSCONV1 = ABS(PSI1-PSI1O) .LE. EPS*PSI1O\n PSI1O = PSI1\nC\nC AMMONIUM CHLORIDE\nC\n IF (NH4I*CLI .GT. A14) THEN\n BB =-(WAER(3) + WAER(5) - ROOT4)\n CC =-A14 + NH4I*(WAER(5) - ROOT4)\n DD = MAX(BB*BB - 4.D0*CC, ZERO)\n ROOT4A= 0.5D0*(-BB+SQRT(DD))\n ROOT4B= 0.5D0*(-BB-SQRT(DD))\n IF (ZERO.LE.ROOT4A) THEN\n ROOT4 = ROOT4A\n ELSE\n ROOT4 = ROOT4B\n ENDIF\n ROOT4 = MIN(MAX(ZERO, ROOT4), MAX(WAER(5)-ROOT3,ZERO),\n & CHI4, WAER(3))\n PSI4 = CHI4 - ROOT4\n ENDIF\n PSCONV4 = ABS(PSI4-PSI40) .LE. EPS*PSI40\n PSI40 = PSI4\nC\nC SODIUM CHLORIDE ; To obtain new value for ROOT3\nC\n IF (NAI*CLI .GT. A8) THEN\n BB =-((CHI1-2.D0*ROOT1) + (WAER(5) - ROOT4))\n CC = (CHI1-2.D0*ROOT1)*(WAER(5) - ROOT4) - A8\n DD = SQRT(MAX(BB*BB - 4.D0*CC, TINY))\n ROOT3A= 0.5D0*(-BB-SQRT(DD))\n ROOT3B= 0.5D0*(-BB+SQRT(DD))\n IF (ZERO.LE.ROOT3A) THEN\n ROOT3 = ROOT3A\n ELSE\n ROOT3 = ROOT3B\n ENDIF\n ROOT3 = MIN(MAX(ROOT3, ZERO), CHI3)\n PSI3 = CHI3-ROOT3\n ENDIF\n PSCONV3 = ABS(PSI3-PSI30) .LE. EPS*PSI30\n PSI30 = PSI3\nC\nC ION CONCENTRATIONS ; CORRECTIONS\nC\n KI = MAX (WAER(7) - 2.D0*ROOT7, ZERO)\n NAI = MAX (WAER(1) - 2.D0*ROOT1 - ROOT3, ZERO)\n SO4I = MAX (WAER(2)-WAER(6) - ROOT7 - ROOT1, ZERO)\n NH4I = MAX (WAER(3) - ROOT4, ZERO)\n NO3I = WAER(4)\n CLI = MAX (WAER(5) - ROOT4 - ROOT3, ZERO)\n CAI = ZERO\n MGI = WAER(8)\nC\nC SOLUTION ACIDIC OR BASIC?\nC\n GG = 2.D0*SO4I + NO3I + CLI - NAI - NH4I\n & - 2.D0*CAI - KI - 2.D0*MGI\n IF (GG.GT.TINY) THEN ! H+ in excess\n BB =-GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n HI = 0.5D0*(-BB + SQRT(DD))\n OHI= AKW/HI\n ELSE ! OH- in excess\n BB = GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n OHI= 0.5D0*(-BB + SQRT(DD))\n HI = AKW/OHI\n ENDIF\nC IF (HI.LE.TINY) HI = SQRT(AKW)\nC OHI = AKW/HI\nC\nC UNDISSOCIATED SPECIES EQUILIBRIA\nC\n IF (HI.GT.OHI) THEN\nC CALL CALCAMAQ2 (-GG, NH4I, OHI, NH3AQ)\nC HI = AKW/OHI\nC HSO4I = ZERO\nC ELSE\nC GGNO3 = MAX(2.D0*SO4I + NO3I - NAI - NH4I - 2.D0*CAI\nC & - KI - 2.D0*MGI, ZERO)\nC GGCL = MAX(GG-GGNO3, ZERO)\nC IF (GGCL .GT.TINY) CALL CALCCLAQ2 (GGCL, CLI, HI, CLAQ) ! HCl\nC IF (GGNO3.GT.TINY) THEN\nC IF (GGCL.LE.TINY) HI = ZERO\nC CALL CALCNIAQ2 (GGNO3, NO3I, HI, NO3AQ) ! HNO3\nC ENDIF\nC\nC CONCENTRATION ADJUSTMENTS ; HSO4 minor species.\nC\n CALL CALCHS4 (HI, SO4I, ZERO, DEL)\n else\n del= zero\n ENDIF\n SO4I = SO4I - DEL\n HI = HI - DEL\n HSO4I = DEL\nC IF (HI.LE.TINY) HI = SQRT(AKW)\n OHI = AKW/HI\nC\n IF (HI.LE.TINY) THEN\n HI = SQRT(AKW)\n OHI = AKW/HI\n ENDIF\nC\nC *** SAVE CONCENTRATIONS IN MOLAL ARRAY ******************************\nC\n MOLAL(1) = HI\n MOLAL(2) = NAI\n MOLAL(3) = NH4I\n MOLAL(4) = CLI\n MOLAL(5) = SO4I\n MOLAL(6) = HSO4I\n MOLAL(7) = NO3I\n MOLAL(8) = CAI\n MOLAL(9) = KI\n MOLAL(10)= MGI\nC\nC *** CALCULATE WATER **************************************************\nC\n CALL CALCMR\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n IF (PSCONV7 .AND. PSCONV1 .AND. PSCONV4 .AND. PSCONV3) GOTO 20\n ENDIF\n10 CONTINUE\nccc CALL PUSHERR (0002, 'CALCU3A') ! WARNING ERROR: NO CONVERGENCE\nC\nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n20 IF (CLI.LE.TINY .AND. WAER(5).GT.TINY) THEN !No disslv Cl-;solid only\n DO 30 I=1,NIONS\n MOLAL(I) = ZERO\n30 CONTINUE\n DO 40 I=1,NGASAQ\n GASAQ(I) = ZERO\n40 CONTINUE\n CALL CALCU1A\n ELSE\n A2 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2. ! NH3 <==> NH4+\n A3 = XK4 *R*TEMP*(WATER/GAMA(10))**2. ! HNO3 <==> NO3-\n A4 = XK3 *R*TEMP*(WATER/GAMA(11))**2. ! HCL <==> CL-\nC\n GNH3 = NH4I/HI/A2\n GHNO3 = HI*NO3I/A3\n GHCL = HI*CLI /A4\nC\n GASAQ(1)= NH3AQ\n GASAQ(2)= CLAQ\n GASAQ(3)= NO3AQ\nC\n CNH42S4 = ZERO\n CNH4NO3 = ZERO\n CNH4CL = CHI4 - PSI4\n CNACL = CHI3 - PSI3\n CNANO3 = ZERO\n CNA2SO4 = CHI1 - PSI1\n CMGSO4 = ZERO\n CK2SO4 = CHI7 - PSI7\n CCASO4 = MIN (WAER(6), WAER(2))\n ENDIF\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCU3A*****************************************\nC\n END\n\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCU2\nC *** CASE U2\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SO4RAT > 2.0), (DUST + SODIUM) RICH: R(Cr+Na)>2; DUST POOR: Rcr<2.\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : K2SO4, CASO4, NA2SO4, MGSO4, NH4CL, NANO3, NACL\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCU2\n INCLUDE 'isrpia.inc'\n LOGICAL EXAN, EXAC, EXSN, EXSC\n EXTERNAL CALCU1A, CALCU3A, CALCU4A, CALCU5\nC\nC *** SOLVE FOR DRY CASE AND SEE WHICH SOLIDS ARE POSSIBLE **************\nC\n SCASE = 'U2 ; SUBCASE 2'\n CALL CALCU1A ! SOLID\n SCASE = 'U2 ; SUBCASE 2'\nC\n EXAN = CNH4NO3.GT.TINY ! NH4NO3\n EXAC = CNH4CL .GT.TINY ! NH4CL\n EXSN = CNANO3 .GT.TINY ! NANO3\n EXSC = CNACL .GT.TINY ! NACL\nC\nC *** REGIME DEPENDS ON RELATIVE HUMIDITY AND POSSIBLE SPECIES **********\nC\n IF (EXAN) THEN ! *** NH4NO3 EXISTS\n IF (RH.GE.DRMM1) THEN\n SCASE = 'U2 ; SUBCASE 1'\n CALL CALCU2A\n SCASE = 'U2 ; SUBCASE 1'\n ENDIF\nC\n ELSE IF (.NOT.EXAN) THEN ! *** NH4NO3 = 0\n IF ( EXAC .AND. EXSN .AND. EXSC) THEN\n IF (RH.GE.DRMM2) THEN\n SCASE = 'U2 ; SUBCASE 3'\n CALL CALCMDRPII (RH, DRMM2, DRNANO3, CALCU1A, CALCU3A)\n SCASE = 'U2 ; SUBCASE 3'\n ENDIF\n\n ELSE IF (.NOT.EXAC .AND. EXSN .AND. EXSC) THEN\n IF (RH.GE.DRMR1) THEN\n SCASE = 'U2 ; SUBCASE 4'\n CALL CALCMDRPII (RH, DRMR1, DRNANO3, CALCU1A, CALCU3A)\n SCASE = 'U2 ; SUBCASE 4'\n ENDIF\n\n ELSE IF (.NOT.EXAC .AND. .NOT.EXSN .AND. EXSC) THEN\n IF (RH.GE.DRMR2) THEN\n SCASE = 'U2 ; SUBCASE 5'\n CALL CALCMDRPII (RH, DRMR2, DRNACL, CALCU1A, CALCU4A)\n SCASE = 'U2 ; SUBCASE 5'\n ENDIF\n\n ELSE IF (.NOT.EXAC .AND. EXSN .AND. .NOT.EXSC) THEN\n IF (RH.GE.DRMR3) THEN\n SCASE = 'U2 ; SUBCASE 6'\n CALL CALCMDRPII (RH, DRMR3, DRNANO3, CALCU1A, CALCU3A)\n SCASE = 'U2 ; SUBCASE 6'\n ENDIF\n\n ELSE IF ( EXAC .AND. .NOT.EXSN .AND. EXSC) THEN\n IF (RH.GE.DRMR4) THEN\n SCASE = 'U2 ; SUBCASE 7'\n CALL CALCMDRPII (RH, DRMR4, DRNACL, CALCU1A, CALCU4A)\n SCASE = 'U2 ; SUBCASE 7'\n ENDIF\n\n ELSE IF ( EXAC .AND. .NOT.EXSN .AND. .NOT.EXSC) THEN\n IF (RH.GE.DRMR5) THEN\n SCASE = 'U2 ; SUBCASE 8'\n CALL CALCMDRPII (RH, DRMR5, DRNH4CL, CALCU1A, CALCU5)\n SCASE = 'U2 ; SUBCASE 8'\n ENDIF\n\n ELSE IF ( EXAC .AND. EXSN .AND. .NOT.EXSC) THEN\n IF (RH.GE.DRMR6) THEN\n SCASE = 'U2 ; SUBCASE 9'\n CALL CALCMDRPII (RH, DRMR6, DRNANO3, CALCU1A, CALCU3A)\n SCASE = 'U2 ; SUBCASE 9'\n ENDIF\n ENDIF\nC\n ENDIF\nC\n RETURN\n\nC IF (W(4).GT.TINY) THEN ! NO3 EXISTS, WATER POSSIBLE\nC SCASE = 'U2 ; SUBCASE 1'\nC CALL CALCU2A\nC SCASE = 'U2 ; SUBCASE 1'\nC ELSE ! NO3 NON EXISTANT, WATER NOT POSSIBLE\nC SCASE = 'U2 ; SUBCASE 1'\nC CALL CALCU1A\nC SCASE = 'U2 ; SUBCASE 1'\nC ENDIF\nCC\nC IF (WATER.LE.TINY .AND. RH.LT.DRMM2) THEN ! DRY AEROSOL\nC SCASE = 'U2 ; SUBCASE 2'\nC CALL CALCU2A\nC SCASE = 'U2 ; SUBCASE 1'\nCC\nC ELSEIF (WATER.LE.TINY .AND. RH.GE.DRMM2) THEN ! MDRH OF M2\nC SCASE = 'U2 ; SUBCASE 3'\nC CALL CALCMDRPII (RH, DRMM2, DRNANO3, CALCU1A, CALCU3A)\nC SCASE = 'U2 ; SUBCASE 3'\nC ENDIF\nCC\nC RETURN\nC\nC *** END OF SUBROUTINE CALCU2 ******************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCU2A\nC *** CASE U2A\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SO4RAT > 2.0), Cr+NA poor (CRNARAT < 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : K2SO4, CASO4, NA2SO4, MGSO4, NH4CL, NACL, NANO3\nC 4. Completely dissolved: NH4NO3\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCU2A\n INCLUDE 'isrpia.inc'\nC\n LOGICAL PSCONV7, PSCONV1, PSCONV4, PSCONV3, PSCONV5\n DOUBLE PRECISION NH4I, NAI, NO3I, NH3AQ, NO3AQ, CLAQ, CAI, KI, MGI\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n FRST =.TRUE.\n CALAIN =.TRUE.\n CALAOU =.TRUE.\nC\n PSCONV7 =.FALSE.\n PSCONV1 =.FALSE.\n PSCONV4 =.FALSE.\n PSCONV3 =.FALSE.\n PSCONV5 =.FALSE.\nC\n PSI70 =-GREAT ! GREAT = 1.D10\n PSI1O =-GREAT\n PSI40 =-GREAT\n PSI30 =-GREAT\n PSI50 =-GREAT\nC\n ROOT7 = ZERO\n ROOT1 = ZERO\n ROOT4 = ZERO\n ROOT3 = ZERO\n ROOT5 = ZERO\nC\nC *** CALCULATE INITIAL SOLUTION ***************************************\nC\n CALL CALCU1A\nC\n CHI1 = CNA2SO4 ! SALTS\n CHI2 = CNANO3\n CHI3 = CNACL\n CHI4 = CNH4CL\n CHI7 = CK2SO4\n CHI8 = CMGSO4\n CHI9 = CCASO4\nC\n PSI1 = CNA2SO4 ! AMOUNT DISSOLVED\n PSI2 = CNANO3\n PSI3 = CNACL\n PSI4 = CNH4CL\n PSI5 = CNH4NO3\n PSI7 = CK2SO4\n PSI8 = CMGSO4\n PSI9 = CCASO4\nC\n CALL CALCMR ! WATER\nC\n NAI = WAER(1) ! LIQUID CONCENTRATIONS\n SO4I = MAX (WAER(2) - WAER(6), ZERO)\n NH4I = WAER(3)\n NO3I = WAER(4)\n CLI = WAER(5)\n CAI = WAER(6)\n KI = WAER(7)\n MGI = WAER(8)\nC\n HSO4I = ZERO\n NH3AQ = ZERO\n NO3AQ = ZERO\n CLAQ = ZERO\nC\n MOLAL(1) = ZERO\n MOLAL(2) = NAI\n MOLAL(3) = NH4I\n MOLAL(4) = CLI\n MOLAL(5) = SO4I\n MOLAL(6) = HSO4I\n MOLAL(7) = NO3I\n MOLAL(8) = CAI\n MOLAL(9) = KI\n MOLAL(10)= MGI\nC\n CALL CALCACT ! CALCULATE ACTIVITY COEFFICIENTS\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A7 = XK17 *(WATER/GAMA(17))**3.0 ! K2SO4 <==> K+\n A1 = XK5 *(WATER/GAMA(2))**3.0 ! NA2S04 <==> Na+\n A14 = XK14*(WATER/GAMA(6))**2.0 ! NH4Cl <==> NH4+\n A8 = XK8 *(WATER/GAMA(1))**2.0 ! NaCl <==> Na+\n A9 = XK9 *(WATER/GAMA(3))**2.0 ! NaNO3 <==> Na+\n AKW = XKW*RH*WATER*WATER ! H2O <==> H+\nC\nC POTASSIUM SULFATE\nC\n IF (KI*KI*SO4I .GT. A7) THEN\n BB =-((WAER(2)-WAER(6)) + WAER(7) - ROOT1)\n CC = WAER(7)*((WAER(2)-WAER(6)) - ROOT1) + 0.25*WAER(7)*WAER(7)\n DD =-0.25*(WAER(7)*WAER(7)*((WAER(2)-WAER(6)) - ROOT1) - A7)\n CALL POLY3(BB, CC, DD, ROOT7, ISLV)\n IF (ISLV.NE.0) ROOT7 = TINY\n ROOT7 = MAX (ROOT7, ZERO)\n ROOT7 = MIN (ROOT7, WAER(7)/2.0,\n & MAX(WAER(2)-WAER(6)-ROOT1, ZERO),CHI7)\n PSI7 = CHI7-ROOT7\n ENDIF\n PSCONV7 = ABS(PSI7-PSI70) .LE. EPS*PSI70\n PSI70 = PSI7\nC\nC SODIUM SULFATE\nC\n IF (NAI*NAI*SO4I .GT. A1) THEN\n BB =-(((WAER(2)-WAER(6))-ROOT7)*(WAER(1) - ROOT3 - ROOT5))\n CC = ((WAER(2)-WAER(6)) - ROOT7)*(WAER(1) - ROOT3 - ROOT5) +\n & 0.25D0*(WAER(1) - ROOT3 - ROOT5)**2.0\n DD =-0.25D0*(((WAER(2) - WAER(6)) - ROOT7)*\n & (WAER(1) - ROOT3 - ROOT5)**2.D0 - A1)\n CALL POLY3(BB, CC, DD, ROOT1, ISLV)\n IF (ISLV.NE.0) ROOT1 = TINY\n ROOT1 = MIN (MAX(ROOT1,ZERO), MAX(WAER(1)-ROOT3-ROOT5,ZERO),\n & CHI1, MAX(WAER(2)-WAER(6),ZERO))\n PSI1 = CHI1-ROOT1\n ENDIF\n PSCONV1 = ABS(PSI1-PSI1O) .LE. EPS*PSI1O\n PSI1O = PSI1\nC\nC AMMONIUM CHLORIDE\nC\n IF (NH4I*CLI .GT. A14) THEN\n BB =-(WAER(3) + WAER(5) - ROOT4)\n CC =-A14 + NH4I*(WAER(5) - ROOT4)\n DD = MAX(BB*BB - 4.D0*CC, ZERO)\n ROOT4A= 0.5D0*(-BB+SQRT(DD))\n ROOT4B= 0.5D0*(-BB-SQRT(DD))\n IF (ZERO.LE.ROOT4A) THEN\n ROOT4 = ROOT4A\n ELSE\n ROOT4 = ROOT4B\n ENDIF\n ROOT4 = MIN(MAX(ZERO, ROOT4), MAX(WAER(5)-ROOT3,ZERO),\n & CHI4, WAER(3))\n PSI4 = CHI4 - ROOT4\n ENDIF\n PSCONV4 = ABS(PSI4-PSI40) .LE. EPS*PSI40\n PSI40 = PSI4\nC\nC SODIUM CHLORIDE ; To obtain new value for ROOT3\nC\n IF (NAI*CLI .GT. A8) THEN\n BB =-((CHI1-2.D0*ROOT1-ROOT5) + (WAER(5) - ROOT4))\n CC = (CHI1-2.D0*ROOT1-ROOT5)*(WAER(5) - ROOT4) - A8\n DD = SQRT(MAX(BB*BB - 4.D0*CC, TINY))\n ROOT3A= 0.5D0*(-BB-SQRT(DD))\n ROOT3B= 0.5D0*(-BB+SQRT(DD))\n IF (ZERO.LE.ROOT3A) THEN\n ROOT3 = ROOT3A\n ELSE\n ROOT3 = ROOT3B\n ENDIF\n ROOT3 = MIN(MAX(ROOT3, ZERO), CHI3)\n PSI3 = CHI3-ROOT3\n ENDIF\n PSCONV3 = ABS(PSI3-PSI30) .LE. EPS*PSI30\n PSI30 = PSI3\nC\nC SODIUM NITRATE\nC\n IF (NAI*NO3I .GT. A9) THEN\n BB =-(WAER(4) + WAER(1) - 2.D0*ROOT1 - ROOT3)\n CC = WAER(4)*(WAER(1) - 2.D0*ROOT1 - ROOT3) - A9\n DD = SQRT(MAX(BB*BB - 4.D0*CC, TINY))\n ROOT5A= 0.5D0*(-BB-DD)\n ROOT5B= 0.5D0*(-BB+DD)\n IF (ZERO.LE.ROOT5A) THEN\n ROOT5 = ROOT5A\n ELSE\n ROOT5 = ROOT5B\n ENDIF\n ROOT5 = MIN(MAX(ROOT5, ZERO), CHI2)\n PSI2 = CHI2-ROOT5\n ENDIF\nC\n PSCONV5 = ABS(PSI2-PSI20) .LE. EPS*PSI20\n PSI20 = PSI2\nC\nC ION CONCENTRATIONS ; CORRECTIONS\nC\n KI = MAX (WAER(7) - 2.0D0*ROOT7, ZERO)\n NAI = MAX (WAER(1) - 2.0D0*ROOT1 - ROOT3 - ROOT5, ZERO)\n SO4I = MAX (WAER(2) - WAER(6) - ROOT7 - ROOT1, ZERO)\n NH4I = MAX (WAER(3) - ROOT4, ZERO)\n NO3I = MAX (WAER(4) - ROOT5, ZERO)\n CLI = MAX (WAER(5) - ROOT4 - ROOT3, ZERO)\n CAI = ZERO\n MGI = WAER(8)\nC\nC SOLUTION ACIDIC OR BASIC?\nC\n GG = 2.D0*SO4I + NO3I + CLI - NAI - NH4I\n & - 2.D0*CAI - KI - 2.D0*MGI\n IF (GG.GT.TINY) THEN ! H+ in excess\n BB =-GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n HI = 0.5D0*(-BB + SQRT(DD))\n OHI= AKW/HI\n ELSE ! OH- in excess\n BB = GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n OHI= 0.5D0*(-BB + SQRT(DD))\n HI = AKW/OHI\n ENDIF\nC IF (HI.LE.TINY) HI = SQRT(AKW)\nC OHI = AKW/HI\nC\nC UNDISSOCIATED SPECIES EQUILIBRIA\nC\n IF (HI.GT.OHI) THEN\nC CALL CALCAMAQ2 (-GG, NH4I, OHI, NH3AQ)\nC HI = AKW/OHI\nC HSO4I = ZERO\nC ELSE\nC GGNO3 = MAX(2.D0*SO4I + NO3I - NAI - NH4I - 2.D0*CAI\nC & - KI - 2.D0*MGI, ZERO)\nC GGCL = MAX(GG-GGNO3, ZERO)\nC IF (GGCL .GT.TINY) CALL CALCCLAQ2 (GGCL, CLI, HI, CLAQ) ! HCl\nC IF (GGNO3.GT.TINY) THEN\nC IF (GGCL.LE.TINY) HI = ZERO\nC CALL CALCNIAQ2 (GGNO3, NO3I, HI, NO3AQ) ! HNO3\nC ENDIF\nC\nC CONCENTRATION ADJUSTMENTS ; HSO4 minor species.\nC\n CALL CALCHS4 (HI, SO4I, ZERO, DEL)\n else\n del= zero\n ENDIF\n SO4I = SO4I - DEL\n HI = HI - DEL\n HSO4I = DEL\nC IF (HI.LE.TINY) HI = SQRT(AKW)\n OHI = AKW/HI\nC\n IF (HI.LE.TINY) THEN\n HI = SQRT(AKW)\n OHI = AKW/HI\n ENDIF\nC\nC *** SAVE CONCENTRATIONS IN MOLAL ARRAY ******************************\nC\n MOLAL(1) = HI\n MOLAL(2) = NAI\n MOLAL(3) = NH4I\n MOLAL(4) = CLI\n MOLAL(5) = SO4I\n MOLAL(6) = HSO4I\n MOLAL(7) = NO3I\n MOLAL(8) = CAI\n MOLAL(9) = KI\n MOLAL(10)= MGI\nC\nC *** CALCULATE WATER **************************************************\nC\n CALL CALCMR\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n IF (PSCONV7 .AND. PSCONV1 .AND. PSCONV4 .AND. PSCONV3\n & .AND. PSCONV5) GOTO 20\n ENDIF\n10 CONTINUE\nccc CALL PUSHERR (0002, 'CALCU2A') ! WARNING ERROR: NO CONVERGENCE\nC\nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n20 IF (CLI.LE.TINY .AND. WAER(5).GT.TINY) THEN !No disslv Cl-;solid only\n DO 30 I=1,NIONS\n MOLAL(I) = ZERO\n30 CONTINUE\n DO 40 I=1,NGASAQ\n GASAQ(I) = ZERO\n40 CONTINUE\n CALL CALCU1A\n ELSE ! OK, aqueous phase present\n A2 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2. ! NH3 <==> NH4+\n A3 = XK4 *R*TEMP*(WATER/GAMA(10))**2. ! HNO3 <==> NO3-\n A4 = XK3 *R*TEMP*(WATER/GAMA(11))**2. ! HCL <==> CL-\nC\n GNH3 = NH4I/HI/A2\n GHNO3 = HI*NO3I/A3\n GHCL = HI*CLI /A4\nC\n GASAQ(1)= NH3AQ\n GASAQ(2)= CLAQ\n GASAQ(3)= NO3AQ\nC\n CNH42S4 = ZERO\n CNH4NO3 = ZERO\n CNH4CL = CHI4 - PSI4\n CNACL = CHI3 - PSI3\n CNANO3 = CHI2 - PSI2\n CNA2SO4 = CHI1 - PSI1\n CMGSO4 = ZERO\n CK2SO4 = CHI7 - PSI7\n CCASO4 = MIN (WAER(6), WAER(2))\n ENDIF\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCU2A*****************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCU1\nC *** CASE U1\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SO4RAT > 2.0), (DUST + SODIUM) RICH: R(Cr+Na)>2; DUST POOR: Rcr<2.\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : K2SO4, CASO4, NA2SO4, MGSO4, NH4CL, NANO3, NACL, NH4NO3\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCU1\n INCLUDE 'isrpia.inc'\n LOGICAL EXAN, EXAC, EXSN, EXSC\n EXTERNAL CALCU1A, CALCU2A, CALCU3A, CALCU4A, CALCU5\nC\nC *** SOLVE FOR DRY CASE AND SEE WHICH SOLIDS ARE POSSIBLE **************\nC\n SCASE = 'U1 ; SUBCASE 1'\n CALL CALCU1A ! SOLID\n SCASE = 'U1 ; SUBCASE 1'\nC\n EXAN = CNH4NO3.GT.TINY ! NH4NO3\n EXAC = CNH4CL .GT.TINY ! NH4CL\n EXSN = CNANO3 .GT.TINY ! NANO3\n EXSC = CNACL .GT.TINY ! NACL\nC\nC *** REGIME DEPENDS ON RELATIVE HUMIDITY AND POSSIBLE SPECIES **********\nC\n IF (EXAN.OR.EXAC.OR.EXSC.OR.EXSN) THEN ! *** WATER POSSIBLE\n IF (RH.GE.DRMM1) THEN\n SCASE = 'U1 ; SUBCASE 2' ! MDRH\n CALL CALCMDRPII (RH, DRMM1, DRNH4NO3, CALCU1A, CALCU2A)\n SCASE = 'U1 ; SUBCASE 2'\n ENDIF\nC\n ELSE IF (.NOT.EXAN) THEN ! *** NH4NO3 = 0\n IF ( EXAC .AND. EXSN .AND. EXSC) THEN\n IF (RH.GE.DRMM2) THEN\n SCASE = 'U1 ; SUBCASE 3'\n CALL CALCMDRPII (RH, DRMM2, DRNANO3, CALCU1A, CALCU3A)\n SCASE = 'U1 ; SUBCASE 3'\n ENDIF\n\n ELSE IF (.NOT.EXAC .AND. EXSN .AND. EXSC) THEN\n IF (RH.GE.DRMR1) THEN\n SCASE = 'U1 ; SUBCASE 4'\n CALL CALCMDRPII (RH, DRMR1, DRNANO3, CALCU1A, CALCU3A)\n SCASE = 'U1 ; SUBCASE 4'\n ENDIF\n\n ELSE IF (.NOT.EXAC .AND. .NOT.EXSN .AND. EXSC) THEN\n IF (RH.GE.DRMR2) THEN\n SCASE = 'U1 ; SUBCASE 5'\n CALL CALCMDRPII (RH, DRMR2, DRNACL, CALCU1A, CALCU3A) !, CALCR4A)\n SCASE = 'U1 ; SUBCASE 5'\n ENDIF\n\n ELSE IF (.NOT.EXAC .AND. EXSN .AND. .NOT.EXSC) THEN\n IF (RH.GE.DRMR3) THEN\n SCASE = 'U1 ; SUBCASE 6'\n CALL CALCMDRPII (RH, DRMR3, DRNANO3, CALCU1A, CALCU3A)\n SCASE = 'U1 ; SUBCASE 6'\n ENDIF\n\n ELSE IF ( EXAC .AND. .NOT.EXSN .AND. EXSC) THEN\n IF (RH.GE.DRMR4) THEN\n SCASE = 'U1 ; SUBCASE 7'\n CALL CALCMDRPII (RH, DRMR4, DRNACL, CALCU1A, CALCU3A) !, CALCR4A)\n SCASE = 'U1 ; SUBCASE 7'\n ENDIF\n\n ELSE IF ( EXAC .AND. .NOT.EXSN .AND. .NOT.EXSC) THEN\n IF (RH.GE.DRMR5) THEN\n SCASE = 'U1 ; SUBCASE 8'\n CALL CALCMDRPII (RH, DRMR5, DRNH4CL, CALCU1A, CALCU3A) !, CALCR5)\n SCASE = 'U1 ; SUBCASE 8'\n ENDIF\n\n ELSE IF ( EXAC .AND. EXSN .AND. .NOT.EXSC) THEN\n IF (RH.GE.DRMR6) THEN\n SCASE = 'U1 ; SUBCASE 9'\n CALL CALCMDRPII (RH, DRMR6, DRNANO3, CALCU1A, CALCU3A)\n SCASE = 'U1 ; SUBCASE 9'\n ENDIF\n ENDIF\nC\n ELSE IF (.NOT.EXAC) THEN ! *** NH4CL = 0\n IF ( EXAN .AND. EXSN .AND. EXSC) THEN\n IF (RH.GE.DRMR7) THEN\n SCASE = 'U1 ; SUBCASE 10'\n CALL CALCMDRPII (RH, DRMR7, DRNH4NO3, CALCU1A, CALCU2A)\n SCASE = 'U1 ; SUBCASE 10'\n ENDIF\n\n ELSE IF ( EXAN .AND. .NOT.EXSN .AND. EXSC) THEN\n IF (RH.GE.DRMR8) THEN\n SCASE = 'U1 ; SUBCASE 11'\n CALL CALCMDRPII (RH, DRMR8, DRNH4NO3, CALCU1A, CALCU2A)\n SCASE = 'U1 ; SUBCASE 11'\n ENDIF\n\n ELSE IF ( EXAN .AND. .NOT.EXSN .AND. .NOT.EXSC) THEN\n IF (RH.GE.DRMR9) THEN\n SCASE = 'U1 ; SUBCASE 12'\n CALL CALCMDRPII (RH, DRMR9, DRNH4NO3, CALCU1A, CALCU2A)\n SCASE = 'U1 ; SUBCASE 12'\n ENDIF\n\n ELSE IF ( EXAN .AND. EXSN .AND. .NOT.EXSC) THEN\n IF (RH.GE.DRMR10) THEN\n SCASE = 'U1 ; SUBCASE 13'\n CALL CALCMDRPII (RH, DRMR10, DRNH4NO3, CALCU1A, CALCU2A)\n SCASE = 'U1 ; SUBCASE 13'\n ENDIF\n ENDIF\nC\n ELSE IF (.NOT.EXSN) THEN ! *** NANO3 = 0\n IF ( EXAN .AND. EXAC .AND. EXSC) THEN\n IF (RH.GE.DRMR11) THEN\n SCASE = 'U1 ; SUBCASE 14'\n CALL CALCMDRPII (RH, DRMR11, DRNH4NO3, CALCU1A, CALCU2A)\n SCASE = 'U1 ; SUBCASE 14'\n ENDIF\n\n ELSE IF ( EXAN .AND. EXAC .AND. .NOT.EXSC) THEN\n IF (RH.GE.DRMR12) THEN\n SCASE = 'U1 ; SUBCASE 15'\n CALL CALCMDRPII (RH, DRMR12, DRNH4NO3, CALCU1A, CALCU2A)\n SCASE = 'U1 ; SUBCASE 15'\n ENDIF\n ENDIF\nC\n ELSE IF (.NOT.EXSC) THEN ! *** NACL = 0\n IF ( EXAN .AND. EXAC .AND. EXSN) THEN\n IF (RH.GE.DRMR13) THEN\n SCASE = 'U1 ; SUBCASE 16'\n CALL CALCMDRPII (RH, DRMR13, DRNH4NO3, CALCU1A, CALCU2A)\n SCASE = 'U1 ; SUBCASE 16'\n ENDIF\n ENDIF\n ENDIF\nC\n RETURN\n\n\nC IF (RH.LT.DRMM1) THEN\nC SCASE = 'U1 ; SUBCASE 1'\nC CALL CALCU1A ! SOLID PHASE ONLY POSSIBLE\nC SCASE = 'U1 ; SUBCASE 1'\nC ELSE\nC SCASE = 'U1 ; SUBCASE 2' ! LIQUID & SOLID PHASE POSSIBLE\nC CALL CALCMDRPII (RH, DRMM1, DRNH4NO3, CALCU1A, CALCU2A)\nC SCASE = 'U1 ; SUBCASE 2'\nC ENDIF\nCC\nC RETURN\nCC\nC *** END OF SUBROUTINE CALCU1 ******************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE\nC *** SUBROUTINE CALCU1A\nC *** CASE U1A\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0); CRUSTAL+SODIUM RICH (CRNARAT >= 2.0); CRUSTAL POOR (CRRAT<2)\nC 2. THERE IS ONLY A SOLID PHASE\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCU1A\n INCLUDE 'isrpia.inc'\nC\nC *** CALCULATE SOLIDS *************************************************\nC\n CCASO4 = MIN (WAER(6), WAER(2)) ! CCASO4\n SO4FR = MAX(WAER(2) - CCASO4, ZERO)\n CAFR = MAX(WAER(6) - CCASO4, ZERO)\n CK2SO4 = MIN (0.5D0*WAER(7), SO4FR) ! CK2SO4\n FRK = MAX(WAER(7) - 2.D0*CK2SO4, ZERO)\n SO4FR = MAX(SO4FR - CK2SO4, ZERO)\n CMGSO4 = MIN (WAER(8), SO4FR) ! CMGSO4\n FRMG = MAX(WAER(8) - CMGSO4, ZERO)\n SO4FR = MAX(SO4FR - CMGSO4, ZERO)\n CNA2SO4 = MAX (SO4FR, ZERO) ! CNA2SO4\n FRNA = MAX (WAER(1) - 2.D0*CNA2SO4, ZERO)\nC\n CNH42S4 = ZERO\nC\n CNANO3 = MIN (FRNA, WAER(4))\n FRNO3 = MAX (WAER(4)-CNANO3, ZERO)\n FRNA = MAX (FRNA-CNANO3, ZERO)\nC\n CNACL = MIN (FRNA, WAER(5))\n FRCL = MAX (WAER(5)-CNACL, ZERO)\n FRNA = MAX (FRNA-CNACL, ZERO)\nC\n CNH4NO3 = MIN (FRNO3, WAER(3))\n FRNO3 = MAX (FRNO3-CNH4NO3, ZERO)\n FRNH3 = MAX (WAER(3)-CNH4NO3, ZERO)\nC\n CNH4CL = MIN (FRCL, FRNH3)\n FRCL = MAX (FRCL-CNH4CL, ZERO)\n FRNH3 = MAX (FRNH3-CNH4CL, ZERO)\nC\nC *** OTHER PHASES ******************************************************\nC\n WATER = ZERO\nC\n GNH3 = ZERO\n GHNO3 = ZERO\n GHCL = ZERO\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCU1A *****************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCW13\nC *** CASE W13\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; Rcr+Na >= 2.0 ; Rcr > 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : CaSO4\nC 4. Completely dissolved: CA(NO3)2, CACL2, K2SO4, KNO3, KCL, MGSO4,\nC MG(NO3)2, MGCL2, NANO3, NACL, NH4NO3, NH4CL\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCW13\n INCLUDE 'isrpia.inc'\nC\n DOUBLE PRECISION NH4I, NAI, NO3I, NH3AQ, NO3AQ, CLAQ, CAI, KI, MGI\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n FRST =.TRUE.\n CALAIN =.TRUE.\n CALAOU =.TRUE.\nC\nC *** CALCULATE INITIAL SOLUTION ***************************************\nC\n CALL CALCW1A\nC\n CHI11 = CCASO4\nC\n PSI1 = CNA2SO4 ! SALTS DISSOLVED\n PSI5 = CNH4CL\n PSI6 = CNH4NO3\n PSI7 = CNACL\n PSI8 = CNANO3\n PSI9 = CK2SO4\n PSI10 = CMGSO4\n PSI11 = CCASO4\n PSI12 = CCANO32\n PSI13 = CKNO3\n PSI14 = CKCL\n PSI15 = CMGNO32\n PSI16 = CMGCL2\n PSI17 = CCACL2\nC\n CALL CALCMR ! WATER\nC\n NH3AQ = ZERO\n NO3AQ = ZERO\n CLAQ = ZERO\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\n\n AKW = XKW*RH*WATER*WATER ! H2O <==> H+\nC\nC ION CONCENTRATIONS\nC\n NAI = WAER(1)\n SO4I = MAX (WAER(2) - WAER(6), ZERO)\n NH4I = WAER(3)\n NO3I = WAER(4)\n CLI = WAER(5)\n CAI = ZERO\n KI = WAER(7)\n MGI = WAER(8)\nC\nC SOLUTION ACIDIC OR BASIC?\nC\n GG = 2.D0*SO4I + NO3I + CLI - NAI - NH4I\n & - 2.D0*CAI - KI - 2.D0*MGI\n IF (GG.GT.TINY) THEN ! H+ in excess\n BB =-GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n HI = 0.5D0*(-BB + SQRT(DD))\n OHI= AKW/HI\n ELSE ! OH- in excess\n BB = GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n OHI= 0.5D0*(-BB + SQRT(DD))\n HI = AKW/OHI\n ENDIF\nC\nC UNDISSOCIATED SPECIES EQUILIBRIA\nC\n IF (HI.GT.OHI) THEN\nC CALL CALCAMAQ2 (-GG, NH4I, OHI, NH3AQ)\nC HI = AKW/OHI\nC HSO4I = ZERO\nC ELSE\nC GGNO3 = MAX(2.D0*SO4I + NO3I - NAI - NH4I - 2.D0*CAI\nC & - KI - 2.D0*MGI, ZERO)\nC GGCL = MAX(GG-GGNO3, ZERO)\nC IF (GGCL .GT.TINY) CALL CALCCLAQ2 (GGCL, CLI, HI, CLAQ) ! HCl\nC IF (GGNO3.GT.TINY) THEN\nC IF (GGCL.LE.TINY) HI = ZERO\nC CALL CALCNIAQ2 (GGNO3, NO3I, HI, NO3AQ) ! HNO3\nC ENDIF\nC\nC CONCENTRATION ADJUSTMENTS ; HSO4 minor species.\nC\n CALL CALCHS4 (HI, SO4I, ZERO, DEL)\n else\n del= zero\n ENDIF\n SO4I = SO4I - DEL\n HI = HI - DEL\n HSO4I = DEL\nC IF (HI.LE.TINY) HI = SQRT(AKW)\n OHI = AKW/HI\nC\n IF (HI.LE.TINY) THEN\n HI = SQRT(AKW)\n OHI = AKW/HI\n ENDIF\nC\nC *** SAVE CONCENTRATIONS IN MOLAL ARRAY ******************************\nC\n MOLAL(1) = HI\n MOLAL(2) = NAI\n MOLAL(3) = NH4I\n MOLAL(4) = CLI\n MOLAL(5) = SO4I\n MOLAL(6) = HSO4I\n MOLAL(7) = NO3I\n MOLAL(8) = CAI\n MOLAL(9) = KI\n MOLAL(10)= MGI\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n GOTO 20\n ENDIF\n10 CONTINUE\nccc CALL PUSHERR (0002, 'CALCW13') ! WARNING ERROR: NO CONVERGENCE\nC\nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n20 A2 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2. ! NH3 <==> NH4+\n A3 = XK4 *R*TEMP*(WATER/GAMA(10))**2. ! HNO3 <==> NO3-\n A4 = XK3 *R*TEMP*(WATER/GAMA(11))**2. ! HCL <==> CL-\nC\n GNH3 = NH4I/HI/A2\n GHNO3 = HI*NO3I/A3\n GHCL = HI*CLI /A4\nC\n GASAQ(1)= NH3AQ\n GASAQ(2)= CLAQ\n GASAQ(3)= NO3AQ\nC\n CNH42S4 = ZERO\n CNH4NO3 = ZERO\n CNH4CL = ZERO\n CNACL = ZERO\n CNANO3 = ZERO\n CMGSO4 = ZERO\n CK2SO4 = ZERO\n CCASO4 = MIN (WAER(6), WAER(2))\n CCANO32 = ZERO\n CKNO3 = ZERO\n KCL = ZERO\n CMGNO32 = ZERO\n CMGCL2 = ZERO\n CCACL2 = ZERO\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCW13 ******************************************\nC\n END\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCW12\nC *** CASE W12\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; Rcr+Na >= 2.0 ; Rcr > 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : CaSO4, K2SO4\nC 4. Completely dissolved: CA(NO3)2, CACL2, KNO3, KCL, MGSO4,\nC MG(NO3)2, MGCL2, NANO3, NACL, NH4NO3, NH4CL\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCW12\n INCLUDE 'isrpia.inc'\nC\n LOGICAL PSCONV9\n DOUBLE PRECISION NH4I, NAI, NO3I, NH3AQ, NO3AQ, CLAQ, CAI, KI, MGI\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n FRST =.TRUE.\n CALAIN =.TRUE.\n CALAOU =.TRUE.\nC\n PSCONV9 =.TRUE.\n PSI9O =-GREAT ! GREAT = 1.D10\n ROOT9 = ZERO\nC\nC *** CALCULATE INITIAL SOLUTION ***************************************\nC\n CALL CALCW1A\nC\n CHI9 = CK2SO4 ! SALTS\n CHI11 = CCASO4\nC\n PSI1 = CNA2SO4 ! SALTS DISSOLVED\n PSI5 = CNH4CL\n PSI6 = CNH4NO3\n PSI7 = CNACL\n PSI8 = CNANO3\n PSI9 = CK2SO4\n PSI10 = CMGSO4\n PSI11 = CCASO4\n PSI12 = CCANO32\n PSI13 = CKNO3\n PSI14 = CKCL\n PSI15 = CMGNO32\n PSI16 = CMGCL2\n PSI17 = CCACL2\nC\n CALL CALCMR ! WATER\nC\n NAI = WAER(1) ! LIQUID CONCENTRATIONS\n SO4I = MAX (WAER(2) - WAER(6), ZERO)\n NH4I = WAER(3)\n NO3I = WAER(4)\n CLI = WAER(5)\n CAI = WAER(6)\n KI = WAER(7)\n MGI = WAER(8)\nC\n HSO4I = ZERO\n NH3AQ = ZERO\n NO3AQ = ZERO\n CLAQ = ZERO\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A9 = XK17 *(WATER/GAMA(17))**3.0 ! K2SO4 <==> K+\n AKW = XKW*RH*WATER*WATER ! H2O <==> H+\nC\nC POTASSIUM SULFATE\nC\n IF (KI*KI*SO4I .GT. A9) THEN\n BB =-((WAER(2)-WAER(6)) + WAER(7))\n CC = WAER(7)*(WAER(2)-WAER(6)) + 0.25D0*WAER(7)*WAER(7)\n DD =-0.25*(WAER(7)*WAER(7)*(WAER(2)-WAER(6)) - A9)\n CALL POLY3(BB, CC, DD, ROOT9, ISLV)\n IF (ISLV.NE.0) ROOT9 = TINY\n ROOT9 = MIN (ROOT9, WAER(7)/2.0, (WAER(2)-WAER(6)), CHI9)\n ROOT9 = MAX (ROOT9, ZERO)\n PSI9 = CHI9 - ROOT9\n ENDIF\n PSCONV9 = ABS(PSI9-PSI9O) .LE. EPS*PSI9O\n PSI9O = PSI9\nC\nC ION CONCENTRATIONS ; CORRECTIONS\nC\n KI = MAX (WAER(7) - 2.D0*ROOT9, ZERO)\n SO4I = MAX (WAER(2)-WAER(6) - ROOT9, ZERO)\n NH4I = WAER(3)\n NO3I = WAER(4)\n CLI = WAER(5)\n CAI = ZERO\n NAI = WAER(1)\n MGI = WAER(8)\nC\nC SOLUTION ACIDIC OR BASIC?\nC\n GG = 2.D0*SO4I + NO3I + CLI - NAI - NH4I\n & - 2.D0*CAI - KI - 2.D0*MGI\n IF (GG.GT.TINY) THEN ! H+ in excess\n BB =-GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n HI = 0.5D0*(-BB + SQRT(DD))\n OHI= AKW/HI\n ELSE ! OH- in excess\n BB = GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n OHI= 0.5D0*(-BB + SQRT(DD))\n HI = AKW/OHI\n ENDIF\nC\nC UNDISSOCIATED SPECIES EQUILIBRIA\nC\n IF (HI.GT.OHI) THEN\nC CALL CALCAMAQ2 (-GG, NH4I, OHI, NH3AQ)\nC HI = AKW/OHI\nC HSO4I = ZERO\nC ELSE\nC GGNO3 = MAX(2.D0*SO4I + NO3I - NAI - NH4I - 2.D0*CAI\nC & - KI - 2.D0*MGI, ZERO)\nC GGCL = MAX(GG-GGNO3, ZERO)\nC IF (GGCL .GT.TINY) CALL CALCCLAQ2 (GGCL, CLI, HI, CLAQ) ! HCl\nC IF (GGNO3.GT.TINY) THEN\nC IF (GGCL.LE.TINY) HI = ZERO\nC CALL CALCNIAQ2 (GGNO3, NO3I, HI, NO3AQ) ! HNO3\nC ENDIF\nC\nC CONCENTRATION ADJUSTMENTS ; HSO4 minor species.\nC\n CALL CALCHS4 (HI, SO4I, ZERO, DEL)\n else\n del= zero\n ENDIF\n SO4I = SO4I - DEL\n HI = HI - DEL\n HSO4I = DEL\nC IF (HI.LE.TINY) HI = SQRT(AKW)\n OHI = AKW/HI\nC\n IF (HI.LE.TINY) THEN\n HI = SQRT(AKW)\n OHI = AKW/HI\n ENDIF\nC\nC *** SAVE CONCENTRATIONS IN MOLAL ARRAY ******************************\nC\n MOLAL(1) = HI\n MOLAL(2) = NAI\n MOLAL(3) = NH4I\n MOLAL(4) = CLI\n MOLAL(5) = SO4I\n MOLAL(6) = HSO4I\n MOLAL(7) = NO3I\n MOLAL(8) = CAI\n MOLAL(9) = KI\n MOLAL(10)= MGI\nC\nC *** CALCULATE WATER **************************************************\nC\n CALL CALCMR\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n IF (PSCONV9) GOTO 20\n ENDIF\n10 CONTINUE\nccc CALL PUSHERR (0002, 'CALCW12') ! WARNING ERROR: NO CONVERGENCE\nC\nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n20 A2 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2. ! NH3 <==> NH4+\n A3 = XK4 *R*TEMP*(WATER/GAMA(10))**2. ! HNO3 <==> NO3-\n A4 = XK3 *R*TEMP*(WATER/GAMA(11))**2. ! HCL <==> CL-\nC\n GNH3 = NH4I/HI/A2\n GHNO3 = HI*NO3I/A3\n GHCL = HI*CLI /A4\nC\n GASAQ(1)= NH3AQ\n GASAQ(2)= CLAQ\n GASAQ(3)= NO3AQ\nC\n CNH42S4 = ZERO\n CNH4NO3 = ZERO\n CNH4CL = ZERO\n CNACL = ZERO\n CNANO3 = ZERO\n CMGSO4 = ZERO\n CK2SO4 = CHI9 - PSI9\n CCASO4 = MIN (WAER(6), WAER(2))\n CCANO32 = ZERO\n CKNO3 = ZERO\n KCL = ZERO\n CMGNO32 = ZERO\n CMGCL2 = ZERO\n CCACL2 = ZERO\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCW12 ******************************************\nC\n END\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCW11\nC *** CASE W11\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; Rcr+Na >= 2.0 ; Rcr > 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : CaSO4, K2SO4, KNO3\nC 4. Completely dissolved: CA(NO3)2, CACL2, KCL, MGSO4,\nC MG(NO3)2, MGCL2, NANO3, NACL, NH4NO3, NH4CL\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCW11\n INCLUDE 'isrpia.inc'\nC\n LOGICAL PSCONV9, PSCONV13\n DOUBLE PRECISION NH4I, NAI, NO3I, NH3AQ, NO3AQ, CLAQ, CAI, KI, MGI\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n FRST =.TRUE.\n CALAIN =.TRUE.\n CALAOU =.TRUE.\nC\n PSCONV9 =.TRUE.\n PSCONV13=.TRUE.\nC\n PSI9O =-GREAT\n PSI13O =-GREAT ! GREAT = 1.D10\nC\n ROOT9 = ZERO\n ROOT13 = ZERO\nC\nC *** CALCULATE INITIAL SOLUTION ***************************************\nC\n CALL CALCW1A\nC\n CHI9 = CK2SO4 ! SALTS\n CHI13 = CKNO3\n CHI11 = CCASO4\nC\n PSI1 = CNA2SO4 ! SALTS DISSOLVED\n PSI5 = CNH4CL\n PSI6 = CNH4NO3\n PSI7 = CNACL\n PSI8 = CNANO3\n PSI9 = CK2SO4\n PSI10 = CMGSO4\n PSI11 = CCASO4\n PSI12 = CCANO32\n PSI13 = CKNO3\n PSI14 = CKCL\n PSI15 = CMGNO32\n PSI16 = CMGCL2\n PSI17 = CCACL2\nC\n CALL CALCMR ! WATER\nC\n NAI = WAER(1) ! LIQUID CONCENTRATIONS\n SO4I = MAX (WAER(2) - WAER(6), ZERO)\n NH4I = WAER(3)\n NO3I = WAER(4)\n CLI = WAER(5)\n CAI = WAER(6)\n KI = WAER(7)\n MGI = WAER(8)\nC\n HSO4I = ZERO\n NH3AQ = ZERO\n NO3AQ = ZERO\n CLAQ = ZERO\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A9 = XK17 *(WATER/GAMA(17))**3.0 ! K2SO4 <==> K+\n A13 = XK19 *(WATER/GAMA(19))**2.0 ! KNO3 <==> K+\n AKW = XKW*RH*WATER*WATER ! H2O <==> H+\nC\nC POTASSIUM SULFATE\nC\n IF (KI*KI*SO4I .GT. A9) THEN\n BB =-((WAER(2)-WAER(6)) + WAER(7) - ROOT13)\n CC = (WAER(7)-ROOT13)*(WAER(2)-WAER(6)) +\n & 0.25D0*(WAER(7)-ROOT13)**2.0\n DD =-0.25*((WAER(7)-ROOT13)**2.0*(WAER(2)-WAER(6)) - A9)\n CALL POLY3(BB, CC, DD, ROOT9, ISLV)\n IF (ISLV.NE.0) ROOT9 = TINY\n ROOT9 = MIN (ROOT9,WAER(7)/2.0-ROOT13,(WAER(2)-WAER(6)),CHI9)\n ROOT9 = MAX (ROOT9, ZERO)\n PSI9 = CHI9 - ROOT9\n ENDIF\n PSCONV9 = ABS(PSI9-PSI9O) .LE. EPS*PSI9O\n PSI9O = PSI9\nC\nC POTASSIUM NITRATE\nC\n IF (KI*NO3I .GT. A13) THEN\n BB =-(WAER(4) + WAER(7) - 2.D0*ROOT9)\n CC = WAER(4)*(WAER(7) - 2.D0*ROOT9) - A13\n DD = SQRT(MAX(BB*BB - 4.D0*CC, ZERO))\n ROOT13A= 0.5D0*(-BB-DD)\n ROOT13B= 0.5D0*(-BB+DD)\n IF (ZERO.LE.ROOT13A) THEN\n ROOT13 = ROOT13A\n ELSE\n ROOT13 = ROOT13B\n ENDIF\n ROOT13 = MIN(MAX(ROOT13, ZERO), CHI13)\n PSI13 = CHI13-ROOT13\n ENDIF\n PSCONV13 = ABS(PSI13-PSI13O) .LE. EPS*PSI13O\n PSI13O = PSI13\nC\nC ION CONCENTRATIONS ; CORRECTIONS\nC\n KI = MAX (WAER(7) - 2.D0*ROOT9 - ROOT13, ZERO)\n SO4I = MAX (WAER(2)-WAER(6) - ROOT9, ZERO)\n NH4I = WAER(3)\n NO3I = MAX (WAER(4) - ROOT13, ZERO)\n CLI = WAER(5)\n CAI = ZERO\n NAI = WAER(1)\n MGI = WAER(8)\nC\nC SOLUTION ACIDIC OR BASIC?\nC\n GG = 2.D0*SO4I + NO3I + CLI - NAI - NH4I\n & - 2.D0*CAI - KI - 2.D0*MGI\n IF (GG.GT.TINY) THEN ! H+ in excess\n BB =-GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n HI = 0.5D0*(-BB + SQRT(DD))\n OHI= AKW/HI\n ELSE ! OH- in excess\n BB = GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n OHI= 0.5D0*(-BB + SQRT(DD))\n HI = AKW/OHI\n ENDIF\nC\nC UNDISSOCIATED SPECIES EQUILIBRIA\nC\n IF (HI.GT.OHI) THEN\nC CALL CALCAMAQ2 (-GG, NH4I, OHI, NH3AQ)\nC HI = AKW/OHI\nC HSO4I = ZERO\nC ELSE\nC GGNO3 = MAX(2.D0*SO4I + NO3I - NAI - NH4I - 2.D0*CAI\nC & - KI - 2.D0*MGI, ZERO)\nC GGCL = MAX(GG-GGNO3, ZERO)\nC IF (GGCL .GT.TINY) CALL CALCCLAQ2 (GGCL, CLI, HI, CLAQ) ! HCl\nC IF (GGNO3.GT.TINY) THEN\nC IF (GGCL.LE.TINY) HI = ZERO\nC CALL CALCNIAQ2 (GGNO3, NO3I, HI, NO3AQ) ! HNO3\nC ENDIF\nC\nC CONCENTRATION ADJUSTMENTS ; HSO4 minor species.\nC\n CALL CALCHS4 (HI, SO4I, ZERO, DEL)\n else\n del= zero\n ENDIF\n SO4I = SO4I - DEL\n HI = HI - DEL\n HSO4I = DEL\nC IF (HI.LE.TINY) HI = SQRT(AKW)\n OHI = AKW/HI\nC\n IF (HI.LE.TINY) THEN\n HI = SQRT(AKW)\n OHI = AKW/HI\n ENDIF\nC\nC *** SAVE CONCENTRATIONS IN MOLAL ARRAY ******************************\nC\n MOLAL(1) = HI\n MOLAL(2) = NAI\n MOLAL(3) = NH4I\n MOLAL(4) = CLI\n MOLAL(5) = SO4I\n MOLAL(6) = HSO4I\n MOLAL(7) = NO3I\n MOLAL(8) = CAI\n MOLAL(9) = KI\n MOLAL(10)= MGI\nC\nC *** CALCULATE WATER **************************************************\nC\n CALL CALCMR\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n IF (PSCONV9 .AND. PSCONV13) GOTO 20\n ENDIF\n10 CONTINUE\nccc CALL PUSHERR (0002, 'CALCW11') ! WARNING ERROR: NO CONVERGENCE\nC\nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n20 A2 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2. ! NH3 <==> NH4+\n A3 = XK4 *R*TEMP*(WATER/GAMA(10))**2. ! HNO3 <==> NO3-\n A4 = XK3 *R*TEMP*(WATER/GAMA(11))**2. ! HCL <==> CL-\nC\n GNH3 = NH4I/HI/A2\n GHNO3 = HI*NO3I/A3\n GHCL = HI*CLI /A4\nC\n GASAQ(1)= NH3AQ\n GASAQ(2)= CLAQ\n GASAQ(3)= NO3AQ\nC\n CNH42S4 = ZERO\n CNH4NO3 = ZERO\n CNH4CL = ZERO\n CNACL = ZERO\n CNANO3 = ZERO\n CMGSO4 = ZERO\n CK2SO4 = CHI9 - PSI9\n CCASO4 = MIN (WAER(6), WAER(2))\n CCANO32 = ZERO\n CKNO3 = CHI13 - PSI13\n KCL = ZERO\n CMGNO32 = ZERO\n CMGCL2 = ZERO\n CCACL2 = ZERO\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCW11 ******************************************\nC\n END\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCW10\nC *** CASE W10\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; Rcr+Na >= 2.0 ; Rcr > 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : CaSO4, K2SO4, KNO3, MGSO4\nC 4. Completely dissolved: CA(NO3)2, CACL2, KCL,\nC MG(NO3)2, MGCL2, NANO3, NACL, NH4NO3, NH4CL\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCW10\n INCLUDE 'isrpia.inc'\nC\n LOGICAL PSCONV9, PSCONV13\n DOUBLE PRECISION NH4I, NAI, NO3I, NH3AQ, NO3AQ, CLAQ, CAI, KI, MGI\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n FRST =.TRUE.\n CALAIN =.TRUE.\n CALAOU =.TRUE.\nC\n PSCONV9 =.TRUE.\n PSCONV13=.TRUE.\nC\n PSI9O =-GREAT\n PSI13O =-GREAT ! GREAT = 1.D10\nC\n ROOT9 = ZERO\n ROOT13 = ZERO\nC\nC *** CALCULATE INITIAL SOLUTION ***************************************\nC\n CALL CALCW1A\n\nC\n CHI9 = CK2SO4 ! SALTS\n CHI13 = CKNO3\n CHI10 = CMGSO4\n CHI11 = CCASO4\nC\n PSI1 = CNA2SO4 ! SALTS DISSOLVED\n PSI5 = CNH4CL\n PSI6 = CNH4NO3\n PSI7 = CNACL\n PSI8 = CNANO3\n PSI9 = CK2SO4\n PSI10 = CMGSO4\n PSI11 = CCASO4\n PSI12 = CCANO32\n PSI13 = CKNO3\n PSI14 = CKCL\n PSI15 = CMGNO32\n PSI16 = CMGCL2\n PSI17 = CCACL2\nC\n CALL CALCMR ! WATER\nC\n NAI = WAER(1) ! LIQUID CONCENTRATIONS\n SO4I = MAX (WAER(2) - WAER(6), ZERO)\n NH4I = WAER(3)\n NO3I = WAER(4)\n CLI = WAER(5)\n CAI = WAER(6)\n KI = WAER(7)\n MGI = WAER(8)\nC\n HSO4I = ZERO\n NH3AQ = ZERO\n NO3AQ = ZERO\n CLAQ = ZERO\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A9 = XK17 *(WATER/GAMA(17))**3.0 ! K2SO4 <==> K+\n A13 = XK19 *(WATER/GAMA(19))**2.0 ! KNO3 <==> K+\n AKW = XKW*RH*WATER*WATER ! H2O <==> H+\nC\nC POTASSIUM SULFATE\nC\n IF (KI*KI*SO4I .GT. A9) THEN\n BB =-((WAER(2)-WAER(6)) + WAER(7) - ROOT13)\n CC = (WAER(7)-ROOT13)*(WAER(2)-WAER(6)) +\n & 0.25D0*(WAER(7)-ROOT13)**2.0\n DD =-0.25*((WAER(7)-ROOT13)**2.0*(WAER(2)-WAER(6)) - A9)\n CALL POLY3(BB, CC, DD, ROOT9, ISLV)\n IF (ISLV.NE.0) ROOT9 = TINY\n ROOT9 = MIN (ROOT9,WAER(7)/2.0-ROOT13,(WAER(2)-WAER(6)),CHI9)\n ROOT9 = MAX (ROOT9, ZERO)\n PSI9 = CHI9 - ROOT9\n ENDIF\n PSCONV9 = ABS(PSI9-PSI9O) .LE. EPS*PSI9O\n PSI9O = PSI9\nC\nC POTASSIUM NITRATE\nC\n IF (KI*NO3I .GT. A13) THEN\n BB =-(WAER(4) + WAER(7) - 2.D0*ROOT9)\n CC = WAER(4)*(WAER(7) - 2.D0*ROOT9) - A13\n DD = SQRT(MAX(BB*BB - 4.D0*CC, ZERO))\n ROOT13A= 0.5D0*(-BB-DD)\n ROOT13B= 0.5D0*(-BB+DD)\n IF (ZERO.LE.ROOT13A) THEN\n ROOT13 = ROOT13A\n ELSE\n ROOT13 = ROOT13B\n ENDIF\n ROOT13 = MIN(MAX(ROOT13, ZERO), CHI13)\n PSI13 = CHI13-ROOT13\n ENDIF\n PSCONV13 = ABS(PSI13-PSI13O) .LE. EPS*PSI13O\n PSI13O = PSI13\nC\nC ION CONCENTRATIONS ; CORRECTIONS\nC\n KI = MAX (WAER(7) - 2.D0*ROOT9 - ROOT13, ZERO)\n SO4I = MAX (WAER(2)-WAER(6) - ROOT9, ZERO)\n NH4I = WAER(3)\n NO3I = MAX (WAER(4) - ROOT13, ZERO)\n CLI = WAER(5)\n CAI = ZERO\n NAI = WAER(1)\n MGI = WAER(8)\nC\nC SOLUTION ACIDIC OR BASIC?\nC\n GG = 2.D0*SO4I + NO3I + CLI - NAI - NH4I\n & - 2.D0*CAI - KI - 2.D0*MGI\n IF (GG.GT.TINY) THEN ! H+ in excess\n BB =-GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n HI = 0.5D0*(-BB + SQRT(DD))\n OHI= AKW/HI\n ELSE ! OH- in excess\n BB = GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n OHI= 0.5D0*(-BB + SQRT(DD))\n HI = AKW/OHI\n ENDIF\nC\nC UNDISSOCIATED SPECIES EQUILIBRIA\nC\n IF (HI.GT.OHI) THEN\nC CALL CALCAMAQ2 (-GG, NH4I, OHI, NH3AQ)\nC HI = AKW/OHI\nC HSO4I = ZERO\nC ELSE\nC GGNO3 = MAX(2.D0*SO4I + NO3I - NAI - NH4I - 2.D0*CAI\nC & - KI - 2.D0*MGI, ZERO)\nC GGCL = MAX(GG-GGNO3, ZERO)\nC IF (GGCL .GT.TINY) CALL CALCCLAQ2 (GGCL, CLI, HI, CLAQ) ! HCl\nC IF (GGNO3.GT.TINY) THEN\nC IF (GGCL.LE.TINY) HI = ZERO\nC CALL CALCNIAQ2 (GGNO3, NO3I, HI, NO3AQ) ! HNO3\nC ENDIF\nC\nC CONCENTRATION ADJUSTMENTS ; HSO4 minor species.\nC\n CALL CALCHS4 (HI, SO4I, ZERO, DEL)\n else\n del= zero\n ENDIF\n SO4I = SO4I - DEL\n HI = HI - DEL\n HSO4I = DEL\nC IF (HI.LE.TINY) HI = SQRT(AKW)\n OHI = AKW/HI\nC\n IF (HI.LE.TINY) THEN\n HI = SQRT(AKW)\n OHI = AKW/HI\n ENDIF\nC\nC *** SAVE CONCENTRATIONS IN MOLAL ARRAY ******************************\nC\n MOLAL(1) = HI\n MOLAL(2) = NAI\n MOLAL(3) = NH4I\n MOLAL(4) = CLI\n MOLAL(5) = SO4I\n MOLAL(6) = HSO4I\n MOLAL(7) = NO3I\n MOLAL(8) = CAI\n MOLAL(9) = KI\n MOLAL(10)= MGI\nC\nC *** CALCULATE WATER **************************************************\nC\n CALL CALCMR\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n IF (PSCONV9 .AND. PSCONV13) GOTO 20\n ENDIF\n10 CONTINUE\nccc CALL PUSHERR (0002, 'CALCW10') ! WARNING ERROR: NO CONVERGENCE\nC\nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n20 A2 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2. ! NH3 <==> NH4+\n A3 = XK4 *R*TEMP*(WATER/GAMA(10))**2. ! HNO3 <==> NO3-\n A4 = XK3 *R*TEMP*(WATER/GAMA(11))**2. ! HCL <==> CL-\nC\n GNH3 = NH4I/HI/A2\n GHNO3 = HI*NO3I/A3\n GHCL = HI*CLI /A4\nC\n GASAQ(1)= NH3AQ\n GASAQ(2)= CLAQ\n GASAQ(3)= NO3AQ\nC\n CNH42S4 = ZERO\n CNH4NO3 = ZERO\n CNH4CL = ZERO\n CNACL = ZERO\n CNANO3 = ZERO\n CMGSO4 = ZERO\n CK2SO4 = CHI9 - PSI9\n CCASO4 = MIN (WAER(6), WAER(2))\n CCANO32 = ZERO\n CKNO3 = CHI13 - PSI13\n KCL = ZERO\n CMGNO32 = ZERO\n CMGCL2 = ZERO\n CCACL2 = ZERO\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCW10 ******************************************\nC\n END\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCW9\nC *** CASE W9\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; Rcr+Na >= 2.0 ; Rcr > 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : CaSO4, K2SO4, KNO3, MGSO4, KCL\nC 4. Completely dissolved: CA(NO3)2, CACL2,\nC MG(NO3)2, MGCL2, NANO3, NACL, NH4NO3, NH4CL\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCW9\n INCLUDE 'isrpia.inc'\nC\n LOGICAL PSCONV9, PSCONV13, PSCONV14\n DOUBLE PRECISION NH4I, NAI, NO3I, NH3AQ, NO3AQ, CLAQ, CAI, KI, MGI\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n FRST =.TRUE.\n CALAIN =.TRUE.\n CALAOU =.TRUE.\nC\n PSCONV9 =.TRUE.\n PSCONV13=.TRUE.\n PSCONV14=.TRUE.\nC\n PSI9O =-GREAT\n PSI13O =-GREAT\n PSI14O =-GREAT ! GREAT = 1.D10\nC\n ROOT9 = ZERO\n ROOT13 = ZERO\n ROOT14 = ZERO\nC\nC *** CALCULATE INITIAL SOLUTION ***************************************\nC\n CALL CALCW1A\nC\n CHI9 = CK2SO4 ! SALTS\n CHI13 = CKNO3\n CHI10 = CMGSO4\n CHI14 = CKCL\n CHI11 = CCASO4\nC\n PSI1 = CNA2SO4 ! SALTS DISSOLVED\n PSI5 = CNH4CL\n PSI6 = CNH4NO3\n PSI7 = CNACL\n PSI8 = CNANO3\n PSI9 = CK2SO4\n PSI10 = CMGSO4\n PSI11 = CCASO4\n PSI12 = CCANO32\n PSI13 = CKNO3\n PSI14 = CKCL\n PSI15 = CMGNO32\n PSI16 = CMGCL2\n PSI17 = CCACL2\nC\n CALL CALCMR ! WATER\nC\n NAI = WAER(1) ! LIQUID CONCENTRATIONS\n SO4I = MAX (WAER(2) - WAER(6), ZERO)\n NH4I = WAER(3)\n NO3I = WAER(4)\n CLI = WAER(5)\n CAI = WAER(6)\n KI = WAER(7)\n MGI = WAER(8)\nC\n HSO4I = ZERO\n NH3AQ = ZERO\n NO3AQ = ZERO\n CLAQ = ZERO\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A9 = XK17 *(WATER/GAMA(17))**3.0 ! K2SO4 <==> K+\n A13 = XK19 *(WATER/GAMA(19))**2.0 ! KNO3 <==> K+\n A14 = XK20 *(WATER/GAMA(20))**2.0 ! KCL <==> K+\n AKW = XKW*RH*WATER*WATER ! H2O <==> H+\nC\nC POTASSIUM SULFATE\nC\n IF (KI*KI*SO4I .GT. A9) THEN\n BB =-((WAER(2)-WAER(6)) + WAER(7) - ROOT13 - ROOT14)\n CC = (WAER(7)-ROOT13-ROOT14)*(WAER(2)-WAER(6)) +\n & 0.25D0*(WAER(7)-ROOT13-ROOT14)**2.0\n DD =-0.25*((WAER(7)-ROOT13-ROOT14)**2.0*(WAER(2)-WAER(6)) - A9)\n CALL POLY3(BB, CC, DD, ROOT9, ISLV)\n IF (ISLV.NE.0) ROOT9 = TINY\n ROOT9 = MIN (ROOT9, WAER(7)/2.0-ROOT13-ROOT14,\n & (WAER(2)-WAER(6)), CHI9)\n ROOT9 = MAX (ROOT9, ZERO)\n PSI9 = CHI9 - ROOT9\n ENDIF\n PSCONV9 = ABS(PSI9-PSI9O) .LE. EPS*PSI9O\n PSI9O = PSI9\nC\nC POTASSIUM NITRATE\nC\n IF (KI*NO3I .GT. A13) THEN\n BB =-(WAER(4) + WAER(7) - 2.D0*ROOT9 - ROOT14)\n CC = WAER(4)*(WAER(7) - 2.D0*ROOT9 - ROOT14) - A13\n DD = SQRT(MAX(BB*BB - 4.D0*CC, TINY))\n ROOT13A= 0.5D0*(-BB-DD)\n ROOT13B= 0.5D0*(-BB+DD)\n IF (ZERO.LE.ROOT13A) THEN\n ROOT13 = ROOT13A\n ELSE\n ROOT13 = ROOT13B\n ENDIF\n ROOT13 = MIN(MAX(ROOT13, ZERO), CHI13)\n PSI13 = CHI13-ROOT13\n ENDIF\n PSCONV13 = ABS(PSI13-PSI13O) .LE. EPS*PSI13O\n PSI13O = PSI13\nC\nC POTASSIUM CLORIDE\nC\n IF (KI*CLI .GT. A14) THEN\n BB =-(WAER(5) + WAER(7) - 2.D0*ROOT9 - ROOT13)\n CC = WAER(5)*(WAER(7) - 2.D0*ROOT9 - ROOT13) - A14\n DD = SQRT(MAX(BB*BB - 4.D0*CC, TINY))\n ROOT14A= 0.5D0*(-BB-DD)\n ROOT14B= 0.5D0*(-BB+DD)\n IF (ZERO.LE.ROOT14A) THEN\n ROOT14 = ROOT14A\n ELSE\n ROOT14 = ROOT14B\n ENDIF\n ROOT14 = MIN(MAX(ROOT14, ZERO), CHI14)\n PSI14 = CHI14-ROOT14\n ENDIF\n PSCONV14 = ABS(PSI14-PSI14O) .LE. EPS*PSI14O\n PSI14O = PSI14\nC\nC ION CONCENTRATIONS ; CORRECTIONS\nC\n KI = MAX (WAER(7) - 2.D0*ROOT9 - ROOT13 - ROOT14, ZERO)\n SO4I = MAX (WAER(2)-WAER(6) - ROOT9, ZERO)\n NH4I = WAER(3)\n NO3I = MAX (WAER(4) - ROOT13, ZERO)\n CLI = MAX (WAER(5) - ROOT14, ZERO)\n CAI = ZERO\n NAI = WAER(1)\n MGI = WAER(8)\nC\nC SOLUTION ACIDIC OR BASIC?\nC\n GG = 2.D0*SO4I + NO3I + CLI - NAI - NH4I\n & - 2.D0*CAI - KI - 2.D0*MGI\n IF (GG.GT.TINY) THEN ! H+ in excess\n BB =-GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n HI = 0.5D0*(-BB + SQRT(DD))\n OHI= AKW/HI\n ELSE ! OH- in excess\n BB = GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n OHI= 0.5D0*(-BB + SQRT(DD))\n HI = AKW/OHI\n ENDIF\nC\nC UNDISSOCIATED SPECIES EQUILIBRIA\nC\n IF (HI.GT.OHI) THEN\nC CALL CALCAMAQ2 (-GG, NH4I, OHI, NH3AQ)\nC HI = AKW/OHI\nC HSO4I = ZERO\nC ELSE\nC GGNO3 = MAX(2.D0*SO4I + NO3I - NAI - NH4I - 2.D0*CAI\nC & - KI - 2.D0*MGI, ZERO)\nC GGCL = MAX(GG-GGNO3, ZERO)\nC IF (GGCL .GT.TINY) CALL CALCCLAQ2 (GGCL, CLI, HI, CLAQ) ! HCl\nC IF (GGNO3.GT.TINY) THEN\nC IF (GGCL.LE.TINY) HI = ZERO\nC CALL CALCNIAQ2 (GGNO3, NO3I, HI, NO3AQ) ! HNO3\nC ENDIF\nC\nC CONCENTRATION ADJUSTMENTS ; HSO4 minor species.\nC\n CALL CALCHS4 (HI, SO4I, ZERO, DEL)\n else\n del= zero\n ENDIF\n SO4I = SO4I - DEL\n HI = HI - DEL\n HSO4I = DEL\nC IF (HI.LE.TINY) HI = SQRT(AKW)\n OHI = AKW/HI\nC\n IF (HI.LE.TINY) THEN\n HI = SQRT(AKW)\n OHI = AKW/HI\n ENDIF\nC\nC *** SAVE CONCENTRATIONS IN MOLAL ARRAY ******************************\nC\n MOLAL(1) = HI\n MOLAL(2) = NAI\n MOLAL(3) = NH4I\n MOLAL(4) = CLI\n MOLAL(5) = SO4I\n MOLAL(6) = HSO4I\n MOLAL(7) = NO3I\n MOLAL(8) = CAI\n MOLAL(9) = KI\n MOLAL(10)= MGI\nC\nC *** CALCULATE WATER **************************************************\nC\n CALL CALCMR\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n IF (PSCONV9 .AND. PSCONV13 .AND. PSCONV14) GOTO 20\n ENDIF\n10 CONTINUE\nccc CALL PUSHERR (0002, 'CALCW9') ! WARNING ERROR: NO CONVERGENCE\nC\nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n20 A2 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2. ! NH3 <==> NH4+\n A3 = XK4 *R*TEMP*(WATER/GAMA(10))**2. ! HNO3 <==> NO3-\n A4 = XK3 *R*TEMP*(WATER/GAMA(11))**2. ! HCL <==> CL-\nC\n GNH3 = NH4I/HI/A2\n GHNO3 = HI*NO3I/A3\n GHCL = HI*CLI /A4\nC\n GASAQ(1)= NH3AQ\n GASAQ(2)= CLAQ\n GASAQ(3)= NO3AQ\nC\n CNH42S4 = ZERO\n CNH4NO3 = ZERO\n CNH4CL = ZERO\n CNACL = ZERO\n CNANO3 = ZERO\n CMGSO4 = ZERO\n CK2SO4 = CHI9 - PSI9\n CCASO4 = MIN (WAER(6), WAER(2))\n CCANO32 = ZERO\n CKNO3 = CHI13 - PSI13\n KCL = CHI14 - PSI14\n CMGNO32 = ZERO\n CMGCL2 = ZERO\n CCACL2 = ZERO\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCW9 ******************************************\nC\n END\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCW8\nC *** CASE W8\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; Rcr+Na >= 2.0 ; Rcr > 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : CaSO4, K2SO4, KNO3, MGSO4, KCL, NH4CL\nC 4. Completely dissolved: CA(NO3)2, CACL2,\nC MG(NO3)2, MGCL2, NANO3, NACL, NH4NO3\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCW8\n INCLUDE 'isrpia.inc'\nC\n LOGICAL PSCONV9, PSCONV13, PSCONV14, PSCONV5\n DOUBLE PRECISION NH4I, NAI, NO3I, NH3AQ, NO3AQ, CLAQ, CAI, KI, MGI\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n FRST =.TRUE.\n CALAIN =.TRUE.\n CALAOU =.TRUE.\nC\n PSCONV9 =.TRUE.\n PSCONV13=.TRUE.\n PSCONV14=.TRUE.\n PSCONV5 =.TRUE.\nC\n PSI9O =-GREAT\n PSI13O =-GREAT\n PSI14O =-GREAT\n PSI5O =-GREAT ! GREAT = 1.D10\nC\n ROOT9 = ZERO\n ROOT13 = ZERO\n ROOT14 = ZERO\n ROOT5 = ZERO\nC\nC *** CALCULATE INITIAL SOLUTION ***************************************\nC\n CALL CALCW1A\nC\n CHI9 = CK2SO4 ! SALTS\n CHI13 = CKNO3\n CHI10 = CMGSO4\n CHI14 = CKCL\n CHI5 = CNH4CL\n CHI11 = CCASO4\nC\n PSI1 = CNA2SO4 ! SALTS DISSOLVED\n PSI5 = CNH4CL\n PSI6 = CNH4NO3\n PSI7 = CNACL\n PSI8 = CNANO3\n PSI9 = CK2SO4\n PSI10 = CMGSO4\n PSI11 = CCASO4\n PSI12 = CCANO32\n PSI13 = CKNO3\n PSI14 = CKCL\n PSI15 = CMGNO32\n PSI16 = CMGCL2\n PSI17 = CCACL2\nC\n CALL CALCMR ! WATER\nC\n NAI = WAER(1) ! LIQUID CONCENTRATIONS\n SO4I = MAX (WAER(2) - WAER(6), ZERO)\n NH4I = WAER(3)\n NO3I = WAER(4)\n CLI = WAER(5)\n CAI = WAER(6)\n KI = WAER(7)\n MGI = WAER(8)\nC\n HSO4I = ZERO\n NH3AQ = ZERO\n NO3AQ = ZERO\n CLAQ = ZERO\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A9 = XK17 *(WATER/GAMA(17))**3.0 ! K2SO4 <==> K+\n A13 = XK19 *(WATER/GAMA(19))**2.0 ! KNO3 <==> K+\n A14 = XK20 *(WATER/GAMA(20))**2.0 ! KCL <==> K+\n A5 = XK14*(WATER/GAMA(6))**2.0 ! NH4Cl <==> NH4+\n AKW = XKW*RH*WATER*WATER ! H2O <==> H+\nC\nC POTASSIUM SULFATE\nC\n IF (KI*KI*SO4I .GT. A9) THEN\n BB =-((WAER(2)-WAER(6)) + WAER(7) - ROOT13 - ROOT14)\n CC = (WAER(7)-ROOT13-ROOT14)*(WAER(2)-WAER(6)) +\n & 0.25D0*(WAER(7)-ROOT13-ROOT14)**2.0\n DD =-0.25*((WAER(7)-ROOT13-ROOT14)**2.0*(WAER(2)-WAER(6)) - A9)\n CALL POLY3(BB, CC, DD, ROOT9, ISLV)\n IF (ISLV.NE.0) ROOT9 = TINY\n ROOT9 = MIN (ROOT9, WAER(7)/2.0-ROOT13-ROOT14,\n & (WAER(2)-WAER(6)), CHI9)\n ROOT9 = MAX (ROOT9, ZERO)\n PSI9 = CHI9 - ROOT9\n ENDIF\n PSCONV9 = ABS(PSI9-PSI9O) .LE. EPS*PSI9O\n PSI9O = PSI9\nC\nC POTASSIUM NITRATE\nC\n IF (KI*NO3I .GT. A13) THEN\n BB =-(WAER(4) + WAER(7) - 2.D0*ROOT9 - ROOT14)\n CC = WAER(4)*(WAER(7) - 2.D0*ROOT9 - ROOT14) - A13\n DD = SQRT(MAX(BB*BB - 4.D0*CC, ZERO))\n ROOT13A= 0.5D0*(-BB-DD)\n ROOT13B= 0.5D0*(-BB+DD)\n IF (ZERO.LE.ROOT13A) THEN\n ROOT13 = ROOT13A\n ELSE\n ROOT13 = ROOT13B\n ENDIF\n ROOT13 = MIN(MAX(ROOT13, ZERO), CHI13)\n PSI13 = CHI13-ROOT13\n ENDIF\n PSCONV13 = ABS(PSI13-PSI13O) .LE. EPS*PSI13O\n PSI13O = PSI13\nC\nC POTASSIUM CLORIDE\nC\n IF (KI*CLI .GT. A14) THEN\n BB =-(WAER(5) - ROOT5 + WAER(7) - 2.D0*ROOT9 - ROOT13)\n CC = (WAER(5)-ROOT5)*(WAER(7) - 2.D0*ROOT9 - ROOT13) - A14\n DD = SQRT(MAX(BB*BB - 4.D0*CC, TINY))\n ROOT14A= 0.5D0*(-BB-DD)\n ROOT14B= 0.5D0*(-BB+DD)\n IF (ZERO.LE.ROOT14A) THEN\n ROOT14 = ROOT14A\n ELSE\n ROOT14 = ROOT14B\n ENDIF\n ROOT14 = MIN(MAX(ROOT14, ZERO), CHI14)\n PSI14 = CHI14-ROOT14\n ENDIF\n PSCONV14 = ABS(PSI14-PSI14O) .LE. EPS*PSI14O\n PSI14O = PSI14\nC\nC AMMONIUM CLORIDE\nC\n IF (NH4I*CLI .GT. A5) THEN\n BB =-(WAER(5) + WAER(3) - ROOT14)\n CC = (WAER(5)-ROOT14)*WAER(3) - A5\n DD = SQRT(MAX(BB*BB - 4.D0*CC, TINY))\n ROOT5A = 0.5D0*(-BB-DD)\n ROOT5B = 0.5D0*(-BB+DD)\n IF (ZERO.LE.ROOT5A) THEN\n ROOT5 = ROOT5A\n ELSE\n ROOT5 = ROOT5B\n ENDIF\n ROOT5 = MIN(MAX(ROOT5, ZERO), CHI5)\n PSI5 = CHI5-ROOT5\n ENDIF\n PSCONV5 = ABS(PSI5-PSI5O) .LE. EPS*PSI5O\n PSI5O = PSI5\nC\nC ION CONCENTRATIONS ; CORRECTIONS\nC\n KI = MAX (WAER(7) - 2.D0*ROOT9 - ROOT13 - ROOT14, ZERO)\n SO4I = MAX (WAER(2)-WAER(6) - ROOT9, ZERO)\n NH4I = MAX (WAER(3) - ROOT5, ZERO)\n NO3I = MAX (WAER(4) - ROOT13, ZERO)\n CLI = MAX (WAER(5) - ROOT14 - ROOT5, ZERO)\n CAI = ZERO\n NAI = WAER(1)\n MGI = WAER(8)\nC\nC SOLUTION ACIDIC OR BASIC?\nC\n GG = 2.D0*SO4I + NO3I + CLI - NAI - NH4I\n & - 2.D0*CAI - KI - 2.D0*MGI\n IF (GG.GT.TINY) THEN ! H+ in excess\n BB =-GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n HI = 0.5D0*(-BB + SQRT(DD))\n OHI= AKW/HI\n ELSE ! OH- in excess\n BB = GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n OHI= 0.5D0*(-BB + SQRT(DD))\n HI = AKW/OHI\n ENDIF\nC\nC UNDISSOCIATED SPECIES EQUILIBRIA\nC\n IF (HI.GT.OHI) THEN\nC CALL CALCAMAQ2 (-GG, NH4I, OHI, NH3AQ)\nC HI = AKW/OHI\nC HSO4I = ZERO\nC ELSE\nC GGNO3 = MAX(2.D0*SO4I + NO3I - NAI - NH4I - 2.D0*CAI\nC & - KI - 2.D0*MGI, ZERO)\nC GGCL = MAX(GG-GGNO3, ZERO)\nC IF (GGCL .GT.TINY) CALL CALCCLAQ2 (GGCL, CLI, HI, CLAQ) ! HCl\nC IF (GGNO3.GT.TINY) THEN\nC IF (GGCL.LE.TINY) HI = ZERO\nC CALL CALCNIAQ2 (GGNO3, NO3I, HI, NO3AQ) ! HNO3\nC ENDIF\nC\nC CONCENTRATION ADJUSTMENTS ; HSO4 minor species.\nC\n CALL CALCHS4 (HI, SO4I, ZERO, DEL)\n else\n del= zero\n ENDIF\n SO4I = SO4I - DEL\n HI = HI - DEL\n HSO4I = DEL\nC IF (HI.LE.TINY) HI = SQRT(AKW)\n OHI = AKW/HI\nC\n IF (HI.LE.TINY) THEN\n HI = SQRT(AKW)\n OHI = AKW/HI\n ENDIF\nC\nC *** SAVE CONCENTRATIONS IN MOLAL ARRAY ******************************\nC\n MOLAL(1) = HI\n MOLAL(2) = NAI\n MOLAL(3) = NH4I\n MOLAL(4) = CLI\n MOLAL(5) = SO4I\n MOLAL(6) = HSO4I\n MOLAL(7) = NO3I\n MOLAL(8) = CAI\n MOLAL(9) = KI\n MOLAL(10)= MGI\nC\nC *** CALCULATE WATER **************************************************\nC\n CALL CALCMR\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n IF (PSCONV9 .AND. PSCONV13 .AND. PSCONV14 .AND.PSCONV5) GOTO 20\n ENDIF\n10 CONTINUE\nccc CALL PUSHERR (0002, 'CALCW8') ! WARNING ERROR: NO CONVERGENCE\nC\nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n20 A2 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2. ! NH3 <==> NH4+\n A3 = XK4 *R*TEMP*(WATER/GAMA(10))**2. ! HNO3 <==> NO3-\n A4 = XK3 *R*TEMP*(WATER/GAMA(11))**2. ! HCL <==> CL-\nC\n GNH3 = NH4I/HI/A2\n GHNO3 = HI*NO3I/A3\n GHCL = HI*CLI /A4\nC\n GASAQ(1)= NH3AQ\n GASAQ(2)= CLAQ\n GASAQ(3)= NO3AQ\nC\n CNH42S4 = ZERO\n CNH4NO3 = ZERO\n CNH4CL = CHI5 - PSI5\n CNACL = ZERO\n CNANO3 = ZERO\n CMGSO4 = ZERO\n CK2SO4 = CHI9 - PSI9\n CCASO4 = MIN (WAER(6), WAER(2))\n CCANO32 = ZERO\n CKNO3 = CHI13 - PSI13\n KCL = CHI14 - PSI14\n CMGNO32 = ZERO\n CMGCL2 = ZERO\n CCACL2 = ZERO\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCW8 ******************************************\nC\n END\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCW7\nC *** CASE W7\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; Rcr+Na >= 2.0 ; Rcr > 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : CaSO4, K2SO4, KNO3, MGSO4, KCL, NH4CL, NACL\nC 4. Completely dissolved: CA(NO3)2, CACL2,\nC MG(NO3)2, MGCL2, NANO3, NH4NO3\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCW7\n INCLUDE 'isrpia.inc'\nC\n LOGICAL PSCONV9, PSCONV13, PSCONV14, PSCONV5, PSCONV7\n DOUBLE PRECISION NH4I, NAI, NO3I, NH3AQ, NO3AQ, CLAQ, CAI, KI, MGI\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n FRST =.TRUE.\n CALAIN =.TRUE.\n CALAOU =.TRUE.\nC\n PSCONV9 =.TRUE.\n PSCONV13=.TRUE.\n PSCONV14=.TRUE.\n PSCONV5 =.TRUE.\n PSCONV7 =.TRUE.\nC\n PSI9O =-GREAT\n PSI13O =-GREAT\n PSI14O =-GREAT\n PSI5O =-GREAT\n PSI7O =-GREAT ! GREAT = 1.D10\nC\n ROOT9 = ZERO\n ROOT13 = ZERO\n ROOT14 = ZERO\n ROOT5 = ZERO\n ROOT7 = ZERO\nC\nC *** CALCULATE INITIAL SOLUTION ***************************************\nC\n CALL CALCW1A\nC\n CHI9 = CK2SO4 ! SALTS\n CHI13 = CKNO3\n CHI10 = CMGSO4\n CHI14 = CKCL\n CHI5 = CNH4CL\n CHI7 = CNACL\n CHI11 = CCASO4\nC\n PSI1 = CNA2SO4 ! SALTS DISSOLVED\n PSI5 = CNH4CL\n PSI6 = CNH4NO3\n PSI7 = CNACL\n PSI8 = CNANO3\n PSI9 = CK2SO4\n PSI10 = CMGSO4\n PSI11 = CCASO4\n PSI12 = CCANO32\n PSI13 = CKNO3\n PSI14 = CKCL\n PSI15 = CMGNO32\n PSI16 = CMGCL2\n PSI17 = CCACL2\nC\n CALL CALCMR ! WATER\nC\n NAI = WAER(1) ! LIQUID CONCENTRATIONS\n SO4I = MAX (WAER(2) - WAER(6), ZERO)\n NH4I = WAER(3)\n NO3I = WAER(4)\n CLI = WAER(5)\n CAI = WAER(6)\n KI = WAER(7)\n MGI = WAER(8)\nC\n HSO4I = ZERO\n NH3AQ = ZERO\n NO3AQ = ZERO\n CLAQ = ZERO\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A9 = XK17 *(WATER/GAMA(17))**3.0 ! K2SO4 <==> K+\n A13 = XK19 *(WATER/GAMA(19))**2.0 ! KNO3 <==> K+\n A14 = XK20 *(WATER/GAMA(20))**2.0 ! KCL <==> K+\n A5 = XK14*(WATER/GAMA(6))**2.0 ! NH4Cl <==> NH4+\n A7 = XK8 *(WATER/GAMA(1))**2.0 ! NaCl <==> Na+\n AKW = XKW*RH*WATER*WATER ! H2O <==> H+\nC\nC POTASSIUM SULFATE\nC\n IF (KI*KI*SO4I .GT. A9) THEN\n BB =-((WAER(2)-WAER(6)) + WAER(7) - ROOT13 - ROOT14)\n CC = (WAER(7)-ROOT13-ROOT14)*(WAER(2)-WAER(6)) +\n & 0.25D0*(WAER(7)-ROOT13-ROOT14)**2.0\n DD =-0.25*((WAER(7)-ROOT13-ROOT14)**2.0*(WAER(2)-WAER(6)) - A9)\n CALL POLY3(BB, CC, DD, ROOT9, ISLV)\n IF (ISLV.NE.0) ROOT9 = TINY\n ROOT9 = MIN (ROOT9, WAER(7)/2.0-ROOT13-ROOT14,\n & (WAER(2)-WAER(6)), CHI9)\n ROOT9 = MAX (ROOT9, ZERO)\n PSI9 = CHI9 - ROOT9\n ENDIF\n PSCONV9 = ABS(PSI9-PSI9O) .LE. EPS*PSI9O\n PSI9O = PSI9\nC\nC POTASSIUM NITRATE\nC\n IF (KI*NO3I .GT. A13) THEN\n BB =-(WAER(4) + WAER(7) - 2.D0*ROOT9 - ROOT14)\n CC = WAER(4)*(WAER(7) - 2.D0*ROOT9 - ROOT14) - A13\n DD = SQRT(MAX(BB*BB - 4.D0*CC, ZERO))\n ROOT13A= 0.5D0*(-BB-DD)\n ROOT13B= 0.5D0*(-BB+DD)\n IF (ZERO.LE.ROOT13A) THEN\n ROOT13 = ROOT13A\n ELSE\n ROOT13 = ROOT13B\n ENDIF\n ROOT13 = MIN(MAX(ROOT13, ZERO), CHI13)\n PSI13 = CHI13-ROOT13\n ENDIF\n PSCONV13 = ABS(PSI13-PSI13O) .LE. EPS*PSI13O\n PSI13O = PSI13\nC\nC POTASSIUM CLORIDE\nC\n IF (KI*CLI .GT. A14) THEN\n BB =-(WAER(5)-ROOT5-ROOT7 + WAER(7)-2.D0*ROOT9-ROOT13)\n CC = (WAER(5)-ROOT5-ROOT7)*(WAER(7)-2.D0*ROOT9-ROOT13)-A14\n DD = SQRT(MAX(BB*BB - 4.D0*CC, TINY))\n ROOT14A= 0.5D0*(-BB-DD)\n ROOT14B= 0.5D0*(-BB+DD)\n IF (ZERO.LE.ROOT14A) THEN\n ROOT14 = ROOT14A\n ELSE\n ROOT14 = ROOT14B\n ENDIF\n ROOT14 = MIN(MAX(ROOT14, ZERO), CHI14)\n PSI14 = CHI14-ROOT14\n ENDIF\n PSCONV14 = ABS(PSI14-PSI14O) .LE. EPS*PSI14O\n PSI14O = PSI14\nC\nC AMMONIUM CLORIDE\nC\n IF (NH4I*CLI .GT. A5) THEN\n BB =-(WAER(5) + WAER(3) - ROOT14 - ROOT7)\n CC = (WAER(5) - ROOT14 - ROOT7)*WAER(3) - A5\n DD = SQRT(MAX(BB*BB - 4.D0*CC, TINY))\n ROOT5A = 0.5D0*(-BB-DD)\n ROOT5B = 0.5D0*(-BB+DD)\n IF (ZERO.LE.ROOT5A) THEN\n ROOT5 = ROOT5A\n ELSE\n ROOT5 = ROOT5B\n ENDIF\n ROOT5 = MIN(MAX(ROOT5, ZERO), CHI5)\n PSI5 = CHI5-ROOT5\n ENDIF\n PSCONV5 = ABS(PSI5-PSI5O) .LE. EPS*PSI5O\n PSI5O = PSI5\nC\nC SODIUM CLORIDE\nC\n IF (NAI*CLI .GT. A7) THEN\n BB =-(WAER(5) + WAER(1) - ROOT14 - ROOT5)\n CC = (WAER(5) - ROOT14 - ROOT5)*WAER(1) - A7\n DD = SQRT(MAX(BB*BB - 4.D0*CC, TINY))\n ROOT7A = 0.5D0*(-BB-DD)\n ROOT7B = 0.5D0*(-BB+DD)\n IF (ZERO.LE.ROOT7A) THEN\n ROOT7 = ROOT7A\n ELSE\n ROOT7 = ROOT7B\n ENDIF\n ROOT7 = MIN(MAX(ROOT7, ZERO), CHI7)\n PSI7 = CHI7-ROOT7\n ENDIF\n PSCONV7 = ABS(PSI7-PSI7O) .LE. EPS*PSI7O\n PSI7O = PSI7\nC\nC ION CONCENTRATIONS ; CORRECTIONS\nC\n KI = MAX (WAER(7) - 2.D0*ROOT9 - ROOT13 - ROOT14, ZERO)\n SO4I = MAX (WAER(2)-WAER(6) - ROOT9, ZERO)\n NH4I = MAX (WAER(3) - ROOT5, ZERO)\n NO3I = MAX (WAER(4) - ROOT13, ZERO)\n CLI = MAX (WAER(5) - ROOT14 - ROOT5 - ROOT7, ZERO)\n CAI = ZERO\n NAI = MAX (WAER(1) - ROOT7, ZERO)\n MGI = WAER(8)\nC\nC SOLUTION ACIDIC OR BASIC?\nC\n GG = 2.D0*SO4I + NO3I + CLI - NAI - NH4I\n & - 2.D0*CAI - KI - 2.D0*MGI\n IF (GG.GT.TINY) THEN ! H+ in excess\n BB =-GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n HI = 0.5D0*(-BB + SQRT(DD))\n OHI= AKW/HI\n ELSE ! OH- in excess\n BB = GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n OHI= 0.5D0*(-BB + SQRT(DD))\n HI = AKW/OHI\n ENDIF\nC\nC UNDISSOCIATED SPECIES EQUILIBRIA\nC\n IF (HI.GT.OHI) THEN\nC CALL CALCAMAQ2 (-GG, NH4I, OHI, NH3AQ)\nC HI = AKW/OHI\nC HSO4I = ZERO\nC ELSE\nC GGNO3 = MAX(2.D0*SO4I + NO3I - NAI - NH4I - 2.D0*CAI\nC & - KI - 2.D0*MGI, ZERO)\nC GGCL = MAX(GG-GGNO3, ZERO)\nC IF (GGCL .GT.TINY) CALL CALCCLAQ2 (GGCL, CLI, HI, CLAQ) ! HCl\nC IF (GGNO3.GT.TINY) THEN\nC IF (GGCL.LE.TINY) HI = ZERO\nC CALL CALCNIAQ2 (GGNO3, NO3I, HI, NO3AQ) ! HNO3\nC ENDIF\nC\nC CONCENTRATION ADJUSTMENTS ; HSO4 minor species.\nC\n CALL CALCHS4 (HI, SO4I, ZERO, DEL)\n else\n del= zero\n ENDIF\n SO4I = SO4I - DEL\n HI = HI - DEL\n HSO4I = DEL\nC IF (HI.LE.TINY) HI = SQRT(AKW)\n OHI = AKW/HI\nC\n IF (HI.LE.TINY) THEN\n HI = SQRT(AKW)\n OHI = AKW/HI\n ENDIF\nC\nC *** SAVE CONCENTRATIONS IN MOLAL ARRAY ******************************\nC\n MOLAL(1) = HI\n MOLAL(2) = NAI\n MOLAL(3) = NH4I\n MOLAL(4) = CLI\n MOLAL(5) = SO4I\n MOLAL(6) = HSO4I\n MOLAL(7) = NO3I\n MOLAL(8) = CAI\n MOLAL(9) = KI\n MOLAL(10)= MGI\nC\nC *** CALCULATE WATER **************************************************\nC\n CALL CALCMR\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n IF (PSCONV9 .AND. PSCONV13 .AND. PSCONV14 .AND. PSCONV5\n & .AND. PSCONV7) GOTO 20\n ENDIF\n10 CONTINUE\nccc CALL PUSHERR (0002, 'CALCW7') ! WARNING ERROR: NO CONVERGENCE\nC\nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n20 A2 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2. ! NH3 <==> NH4+\n A3 = XK4 *R*TEMP*(WATER/GAMA(10))**2. ! HNO3 <==> NO3-\n A4 = XK3 *R*TEMP*(WATER/GAMA(11))**2. ! HCL <==> CL-\nC\n GNH3 = NH4I/HI/A2\n GHNO3 = HI*NO3I/A3\n GHCL = HI*CLI /A4\nC\n GASAQ(1)= NH3AQ\n GASAQ(2)= CLAQ\n GASAQ(3)= NO3AQ\nC\n CNH42S4 = ZERO\n CNH4NO3 = ZERO\n CNH4CL = CHI5 - PSI5\n CNACL = CHI7 - PSI7\n CNANO3 = ZERO\n CMGSO4 = ZERO\n CK2SO4 = CHI9 - PSI9\n CCASO4 = MIN (WAER(6), WAER(2))\n CCANO32 = ZERO\n CKNO3 = CHI13 - PSI13\n KCL = CHI14 - PSI14\n CMGNO32 = ZERO\n CMGCL2 = ZERO\n CCACL2 = ZERO\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCW7 ******************************************\nC\n END\n\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCW6\nC *** CASE W6\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; Rcr+Na >= 2.0 ; Rcr > 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : CaSO4, K2SO4, KNO3, MGSO4, KCL, NH4CL, NACL, NANO3\nC 4. Completely dissolved: CA(NO3)2, CACL2,\nC MG(NO3)2, MGCL2, NH4NO3\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCW6\n INCLUDE 'isrpia.inc'\nC\n LOGICAL PSCONV9, PSCONV13, PSCONV14, PSCONV5, PSCONV7, PSCONV8\n DOUBLE PRECISION NH4I, NAI, NO3I, NH3AQ, NO3AQ, CLAQ, CAI, KI, MGI\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n FRST =.TRUE.\n CALAIN =.TRUE.\n CALAOU =.TRUE.\nC\n PSCONV9 =.TRUE.\n PSCONV13=.TRUE.\n PSCONV14=.TRUE.\n PSCONV5 =.TRUE.\n PSCONV7 =.TRUE.\n PSCONV8 =.TRUE.\nC\n PSI9O =-GREAT\n PSI13O =-GREAT\n PSI14O =-GREAT\n PSI5O =-GREAT\n PSI7O =-GREAT\n PSI8O =-GREAT ! GREAT = 1.D10\nC\n ROOT9 = ZERO\n ROOT13 = ZERO\n ROOT14 = ZERO\n ROOT5 = ZERO\n ROOT7 = ZERO\n ROOT8 = ZERO\nC\nC *** CALCULATE INITIAL SOLUTION ***************************************\nC\n CALL CALCW1A\nC\n CHI9 = CK2SO4 ! SALTS\n CHI13 = CKNO3\n CHI10 = CMGSO4\n CHI14 = CKCL\n CHI5 = CNH4CL\n CHI7 = CNACL\n CHI8 = CNANO3\n CHI11 = CCASO4\nC\n PSI1 = CNA2SO4 ! SALTS DISSOLVED\n PSI5 = CNH4CL\n PSI6 = CNH4NO3\n PSI7 = CNACL\n PSI8 = CNANO3\n PSI9 = CK2SO4\n PSI10 = CMGSO4\n PSI11 = CCASO4\n PSI12 = CCANO32\n PSI13 = CKNO3\n PSI14 = CKCL\n PSI15 = CMGNO32\n PSI16 = CMGCL2\n PSI17 = CCACL2\nC\n CALL CALCMR ! WATER\nC\n NAI = WAER(1) ! LIQUID CONCENTRATIONS\n SO4I = MAX (WAER(2) - WAER(6), ZERO)\n NH4I = WAER(3)\n NO3I = WAER(4)\n CLI = WAER(5)\n CAI = WAER(6)\n KI = WAER(7)\n MGI = WAER(8)\nC\n HSO4I = ZERO\n NH3AQ = ZERO\n NO3AQ = ZERO\n CLAQ = ZERO\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A9 = XK17 *(WATER/GAMA(17))**3.0 ! K2SO4 <==> K+\n A13 = XK19 *(WATER/GAMA(19))**2.0 ! KNO3 <==> K+\n A14 = XK20 *(WATER/GAMA(20))**2.0 ! KCL <==> K+\n A5 = XK14*(WATER/GAMA(6))**2.0 ! NH4Cl <==> NH4+\n A7 = XK8 *(WATER/GAMA(1))**2.0 ! NaCl <==> Na+\n A8 = XK9 *(WATER/GAMA(3))**2. ! NaNO3 <==> Na+\n AKW = XKW*RH*WATER*WATER ! H2O <==> H+\nC\nC POTASSIUM SULFATE\nC\n IF (KI*KI*SO4I .GT. A9) THEN\n BB =-((WAER(2)-WAER(6)) + WAER(7) - ROOT13 - ROOT14)\n CC = (WAER(7)-ROOT13-ROOT14)*(WAER(2)-WAER(6)) +\n & 0.25D0*(WAER(7)-ROOT13-ROOT14)**2.0\n DD =-0.25*((WAER(7)-ROOT13-ROOT14)**2.0*(WAER(2)-WAER(6)) - A9)\n CALL POLY3(BB, CC, DD, ROOT9, ISLV)\n IF (ISLV.NE.0) ROOT9 = TINY\n ROOT9 = MIN (ROOT9, WAER(7)/2.0-ROOT13-ROOT14,\n & (WAER(2)-WAER(6)), CHI9)\n ROOT9 = MAX (ROOT9, ZERO)\n PSI9 = CHI9 - ROOT9\n ENDIF\n PSCONV9 = ABS(PSI9-PSI9O) .LE. EPS*PSI9O\n PSI9O = PSI9\nC\nC POTASSIUM NITRATE\nC\n IF (KI*NO3I .GT. A13) THEN\n BB =-(WAER(4) - ROOT8 + WAER(7) - 2.D0*ROOT9 - ROOT14)\n CC = (WAER(4)-ROOT8)*(WAER(7) - 2.D0*ROOT9 - ROOT14) - A13\n DD = SQRT(MAX(BB*BB - 4.D0*CC, ZERO))\n ROOT13A= 0.5D0*(-BB-DD)\n ROOT13B= 0.5D0*(-BB+DD)\n IF (ZERO.LE.ROOT13A) THEN\n ROOT13 = ROOT13A\n ELSE\n ROOT13 = ROOT13B\n ENDIF\n ROOT13 = MIN(MAX(ROOT13, ZERO), CHI13)\n PSI13 = CHI13-ROOT13\n ENDIF\n PSCONV13 = ABS(PSI13-PSI13O) .LE. EPS*PSI13O\n PSI13O = PSI13\nC\nC POTASSIUM CLORIDE\nC\n IF (KI*CLI .GT. A14) THEN\n BB =-(WAER(5)-ROOT5-ROOT7 + WAER(7)-2.D0*ROOT9-ROOT13)\n CC = (WAER(5)-ROOT5-ROOT7)*(WAER(7)-2.D0*ROOT9-ROOT13)-A14\n DD = SQRT(MAX(BB*BB - 4.D0*CC, TINY))\n ROOT14A= 0.5D0*(-BB-DD)\n ROOT14B= 0.5D0*(-BB+DD)\n IF (ZERO.LE.ROOT14A) THEN\n ROOT14 = ROOT14A\n ELSE\n ROOT14 = ROOT14B\n ENDIF\n ROOT14 = MIN(MAX(ROOT14, ZERO), CHI14)\n PSI14 = CHI14-ROOT14\n ENDIF\n PSCONV14 = ABS(PSI14-PSI14O) .LE. EPS*PSI14O\n PSI14O = PSI14\nC\nC AMMONIUM CLORIDE\nC\n IF (NH4I*CLI .GT. A5) THEN\n BB =-(WAER(5) + WAER(3) - ROOT14 - ROOT7)\n CC = (WAER(5) - ROOT14 - ROOT7)*WAER(3) - A5\n DD = SQRT(MAX(BB*BB - 4.D0*CC, TINY))\n ROOT5A = 0.5D0*(-BB-DD)\n ROOT5B = 0.5D0*(-BB+DD)\n IF (ZERO.LE.ROOT5A) THEN\n ROOT5 = ROOT5A\n ELSE\n ROOT5 = ROOT5B\n ENDIF\n ROOT5 = MIN(MAX(ROOT5, ZERO), CHI5)\n PSI5 = CHI5-ROOT5\n ENDIF\n PSCONV5 = ABS(PSI5-PSI5O) .LE. EPS*PSI5O\n PSI5O = PSI5\nC\nC SODIUM CLORIDE\nC\n IF (NAI*CLI .GT. A7) THEN\n BB =-(WAER(5) + WAER(1) - ROOT8 - ROOT14 - ROOT5)\n CC = (WAER(5) - ROOT14 - ROOT5)*(WAER(1)-ROOT8) - A7\n DD = SQRT(MAX(BB*BB - 4.D0*CC, TINY))\n ROOT7A = 0.5D0*(-BB-DD)\n ROOT7B = 0.5D0*(-BB+DD)\n IF (ZERO.LE.ROOT7A) THEN\n ROOT7 = ROOT7A\n ELSE\n ROOT7 = ROOT7B\n ENDIF\n ROOT7 = MIN(MAX(ROOT7, ZERO), CHI7)\n PSI7 = CHI7-ROOT7\n ENDIF\n PSCONV7 = ABS(PSI7-PSI7O) .LE. EPS*PSI7O\n PSI7O = PSI7\nC\nC SODIUM NITRATE\nC\n IF (NAI*NO3I .GT. A8) THEN\n BB =-(WAER(4) - ROOT13 + WAER(1) - ROOT7)\n CC = (WAER(4) - ROOT13)*(WAER(1)-ROOT7) - A8\n DD = SQRT(MAX(BB*BB - 4.D0*CC, TINY))\n ROOT8A = 0.5D0*(-BB-DD)\n ROOT8B = 0.5D0*(-BB+DD)\n IF (ZERO.LE.ROOT8A) THEN\n ROOT8 = ROOT8A\n ELSE\n ROOT8 = ROOT8B\n ENDIF\n ROOT8 = MIN(MAX(ROOT8, ZERO), CHI8)\n PSI8 = CHI8-ROOT8\n ENDIF\n PSCONV8 = ABS(PSI8-PSI8O) .LE. EPS*PSI8O\n PSI8O = PSI8\nC\nC ION CONCENTRATIONS ; CORRECTIONS\nC\n KI = MAX (WAER(7) - 2.D0*ROOT9 - ROOT13 - ROOT14, ZERO)\n SO4I = MAX (WAER(2)-WAER(6) - ROOT9, ZERO)\n NH4I = MAX (WAER(3) - ROOT5, ZERO)\n NO3I = MAX (WAER(4) - ROOT13 - ROOT8, ZERO)\n CLI = MAX (WAER(5) - ROOT14 - ROOT5 - ROOT7, ZERO)\n CAI = ZERO\n NAI = MAX (WAER(1) - ROOT7 - ROOT8, ZERO)\n MGI = WAER(8)\nC\nC SOLUTION ACIDIC OR BASIC?\nC\n GG = 2.D0*SO4I + NO3I + CLI - NAI - NH4I\n & - 2.D0*CAI - KI - 2.D0*MGI\n IF (GG.GT.TINY) THEN ! H+ in excess\n BB =-GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n HI = 0.5D0*(-BB + SQRT(DD))\n OHI= AKW/HI\n ELSE ! OH- in excess\n BB = GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n OHI= 0.5D0*(-BB + SQRT(DD))\n HI = AKW/OHI\n ENDIF\nC\nC UNDISSOCIATED SPECIES EQUILIBRIA\nC\n IF (HI.GT.OHI) THEN\nC CALL CALCAMAQ2 (-GG, NH4I, OHI, NH3AQ)\nC HI = AKW/OHI\nC HSO4I = ZERO\nC ELSE\nC GGNO3 = MAX(2.D0*SO4I + NO3I - NAI - NH4I - 2.D0*CAI\nC & - KI - 2.D0*MGI, ZERO)\nC GGCL = MAX(GG-GGNO3, ZERO)\nC IF (GGCL .GT.TINY) CALL CALCCLAQ2 (GGCL, CLI, HI, CLAQ) ! HCl\nC IF (GGNO3.GT.TINY) THEN\nC IF (GGCL.LE.TINY) HI = ZERO\nC CALL CALCNIAQ2 (GGNO3, NO3I, HI, NO3AQ) ! HNO3\nC ENDIF\nC\nC CONCENTRATION ADJUSTMENTS ; HSO4 minor species.\nC\n CALL CALCHS4 (HI, SO4I, ZERO, DEL)\n else\n del= zero\n ENDIF\n SO4I = SO4I - DEL\n HI = HI - DEL\n HSO4I = DEL\nC IF (HI.LE.TINY) HI = SQRT(AKW)\n OHI = AKW/HI\nC\n IF (HI.LE.TINY) THEN\n HI = SQRT(AKW)\n OHI = AKW/HI\n ENDIF\nC\nC *** SAVE CONCENTRATIONS IN MOLAL ARRAY ******************************\nC\n MOLAL(1) = HI\n MOLAL(2) = NAI\n MOLAL(3) = NH4I\n MOLAL(4) = CLI\n MOLAL(5) = SO4I\n MOLAL(6) = HSO4I\n MOLAL(7) = NO3I\n MOLAL(8) = CAI\n MOLAL(9) = KI\n MOLAL(10)= MGI\nC\nC *** CALCULATE WATER **************************************************\nC\n CALL CALCMR\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n IF (PSCONV9 .AND. PSCONV13 .AND. PSCONV14 .AND. PSCONV5\n & .AND. PSCONV7 .AND. PSCONV8) GOTO 20\n ENDIF\n10 CONTINUE\nccc CALL PUSHERR (0002, 'CALCW6') ! WARNING ERROR: NO CONVERGENCE\nC\nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n20 A2 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2. ! NH3 <==> NH4+\n A3 = XK4 *R*TEMP*(WATER/GAMA(10))**2. ! HNO3 <==> NO3-\n A4 = XK3 *R*TEMP*(WATER/GAMA(11))**2. ! HCL <==> CL-\nC\n GNH3 = NH4I/HI/A2\n GHNO3 = HI*NO3I/A3\n GHCL = HI*CLI /A4\nC\n GASAQ(1)= NH3AQ\n GASAQ(2)= CLAQ\n GASAQ(3)= NO3AQ\nC\n CNH42S4 = ZERO\n CNH4NO3 = ZERO\n CNH4CL = CHI5 - PSI5\n CNACL = CHI7 - PSI7\n CNANO3 = CHI8 - PSI8\n CMGSO4 = ZERO\n CK2SO4 = CHI9 - PSI9\n CCASO4 = MIN (WAER(6), WAER(2))\n CCANO32 = ZERO\n CKNO3 = CHI13 - PSI13\n KCL = CHI14 - PSI14\n CMGNO32 = ZERO\n CMGCL2 = ZERO\n CCACL2 = ZERO\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCW6 ******************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCW5\nC *** CASE W5\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; Rcr+Na >= 2.0 ; Rcr > 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : CaSO4, K2SO4, KNO3, MGSO4, KCL, NH4CL, NACL, NANO3, NH4NO3\nC 4. Completely dissolved: CA(NO3)2, CACL2,\nC MG(NO3)2, MGCL2\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCW5\n INCLUDE 'isrpia.inc'\nC\n EXTERNAL CALCW1A, CALCW6\nC\nC *** REGIME DEPENDS ON THE EXISTANCE OF WATER AND OF THE RH ************\nC\n IF (WAER(4).GT.TINY) THEN ! NO3 EXIST, WATER POSSIBLE\n SCASE = 'W5 ; SUBCASE 1'\n CALL CALCW5A\n SCASE = 'W5 ; SUBCASE 1'\n ELSE ! NO3, CL NON EXISTANT\n SCASE = 'W1 ; SUBCASE 1'\n CALL CALCW1A\n SCASE = 'W1 ; SUBCASE 1'\n ENDIF\nC\n IF (WATER.LE.TINY) THEN\n IF (RH.LT.DRMP5) THEN ! ONLY SOLIDS\n WATER = TINY\n DO 10 I=1,NIONS\n MOLAL(I) = ZERO\n10 CONTINUE\n CALL CALCW1A\n SCASE = 'W5 ; SUBCASE 2'\n RETURN\n ELSE\n SCASE = 'W5 ; SUBCASE 3' ! MDRH REGION (CaSO4, K2SO4, KNO3, KCL, MGSO4,\nC NANO3, NACL, NH4NO3, NH4CL)\n CALL CALCMDRPII (RH, DRMP5, DRNH4NO3, CALCW1A, CALCW6)\n SCASE = 'W5 ; SUBCASE 3'\n ENDIF\n ENDIF\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCW5 ******************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCW5A\nC *** CASE W5A\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; Rcr+Na >= 2.0 ; Rcr > 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : CaSO4, K2SO4, KNO3, MGSO4, KCL, NH4CL, NACL,\nC NANO3, NH4NO3\nC 4. Completely dissolved: CA(NO3)2, CACL2, MG(NO3)2, MGCL2\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCW5A\n INCLUDE 'isrpia.inc'\nC\n LOGICAL PSCONV9, PSCONV13, PSCONV14, PSCONV5, PSCONV7, PSCONV8\n DOUBLE PRECISION NH4I, NAI, NO3I, NH3AQ, NO3AQ, CLAQ, CAI, KI, MGI\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n FRST =.TRUE.\n CALAIN =.TRUE.\n CALAOU =.TRUE.\nC\n PSCONV9 =.TRUE.\n PSCONV13=.TRUE.\n PSCONV14=.TRUE.\n PSCONV5 =.TRUE.\n PSCONV7 =.TRUE.\n PSCONV8 =.TRUE.\nC\n PSI9O =-GREAT\n PSI13O =-GREAT\n PSI14O =-GREAT\n PSI5O =-GREAT\n PSI7O =-GREAT\n PSI8O =-GREAT ! GREAT = 1.D10\nC\n ROOT9 = ZERO\n ROOT13 = ZERO\n ROOT14 = ZERO\n ROOT5 = ZERO\n ROOT7 = ZERO\n ROOT8 = ZERO\nC\nC *** CALCULATE INITIAL SOLUTION ***************************************\nC\n CALL CALCW1A\nC\n CHI9 = CK2SO4 ! SALTS\n CHI13 = CKNO3\n CHI10 = CMGSO4\n CHI14 = CKCL\n CHI5 = CNH4CL\n CHI7 = CNACL\n CHI8 = CNANO3\n CHI6 = CNH4NO3\n CHI11 = CCASO4\nC\n PSI1 = CNA2SO4 ! SALTS DISSOLVED\n PSI5 = CNH4CL\n PSI6 = CNH4NO3\n PSI7 = CNACL\n PSI8 = CNANO3\n PSI9 = CK2SO4\n PSI10 = CMGSO4\n PSI11 = CCASO4\n PSI12 = CCANO32\n PSI13 = CKNO3\n PSI14 = CKCL\n PSI15 = CMGNO32\n PSI16 = CMGCL2\n PSI17 = CCACL2\nC\n CALL CALCMR ! WATER\nC\n NAI = WAER(1) ! LIQUID CONCENTRATIONS\n SO4I = MAX (WAER(2) - WAER(6), ZERO)\n NH4I = WAER(3)\n NO3I = WAER(4)\n CLI = WAER(5)\n CAI = WAER(6)\n KI = WAER(7)\n MGI = WAER(8)\nC\n HSO4I = ZERO\n NH3AQ = ZERO\n NO3AQ = ZERO\n CLAQ = ZERO\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A9 = XK17 *(WATER/GAMA(17))**3.0 ! K2SO4 <==> K+\n A13 = XK19 *(WATER/GAMA(19))**2.0 ! KNO3 <==> K+\n A14 = XK20 *(WATER/GAMA(20))**2.0 ! KCL <==> K+\n A5 = XK14*(WATER/GAMA(6))**2.0 ! NH4Cl <==> NH4+\n A7 = XK8 *(WATER/GAMA(1))**2.0 ! NaCl <==> Na+\n A8 = XK9 *(WATER/GAMA(3))**2. ! NaNO3 <==> Na+\n AKW = XKW*RH*WATER*WATER ! H2O <==> H+\nC\nC POTASSIUM SULFATE\nC\n IF (KI*KI*SO4I .GT. A9) THEN\n BB =-((WAER(2)-WAER(6)) + WAER(7) - ROOT13 - ROOT14)\n CC = (WAER(7)-ROOT13-ROOT14)*(WAER(2)-WAER(6)) +\n & 0.25D0*(WAER(7)-ROOT13-ROOT14)**2.0\n DD =-0.25*((WAER(7)-ROOT13-ROOT14)**2.0*(WAER(2)-WAER(6)) - A9)\n CALL POLY3(BB, CC, DD, ROOT9, ISLV)\n IF (ISLV.NE.0) ROOT9 = TINY\n ROOT9 = MIN (ROOT9, WAER(7)/2.0-ROOT13-ROOT14,\n & (WAER(2)-WAER(6)), CHI9)\n ROOT9 = MAX (ROOT9, ZERO)\n PSI9 = CHI9 - ROOT9\n ENDIF\n PSCONV9 = ABS(PSI9-PSI9O) .LE. EPS*PSI9O\n PSI9O = PSI9\nC\nC POTASSIUM NITRATE\nC\n IF (KI*NO3I .GT. A13) THEN\n BB =-(WAER(4) - ROOT8 + WAER(7) - 2.D0*ROOT9 - ROOT14)\n CC = (WAER(4)-ROOT8)*(WAER(7) - 2.D0*ROOT9 - ROOT14) - A13\n DD = SQRT(MAX(BB*BB - 4.D0*CC, ZERO))\n ROOT13A= 0.5D0*(-BB-DD)\n ROOT13B= 0.5D0*(-BB+DD)\n IF (ZERO.LE.ROOT13A) THEN\n ROOT13 = ROOT13A\n ELSE\n ROOT13 = ROOT13B\n ENDIF\n ROOT13 = MIN(MAX(ROOT13, ZERO), CHI13)\n PSI13 = CHI13-ROOT13\n ENDIF\n PSCONV13 = ABS(PSI13-PSI13O) .LE. EPS*PSI13O\n PSI13O = PSI13\nC\nC POTASSIUM CLORIDE\nC\n IF (KI*CLI .GT. A14) THEN\n BB =-(WAER(5)-ROOT5-ROOT7 + WAER(7)-2.D0*ROOT9-ROOT13)\n CC = (WAER(5)-ROOT5-ROOT7)*(WAER(7)-2.D0*ROOT9-ROOT13)-A14\n DD = SQRT(MAX(BB*BB - 4.D0*CC, TINY))\n ROOT14A= 0.5D0*(-BB-DD)\n ROOT14B= 0.5D0*(-BB+DD)\n IF (ZERO.LE.ROOT14A) THEN\n ROOT14 = ROOT14A\n ELSE\n ROOT14 = ROOT14B\n ENDIF\n ROOT14 = MIN(MAX(ROOT14, ZERO), CHI14)\n PSI14 = CHI14-ROOT14\n ENDIF\n PSCONV14 = ABS(PSI14-PSI14O) .LE. EPS*PSI14O\n PSI14O = PSI14\nC\nC AMMONIUM CLORIDE\nC\n IF (NH4I*CLI .GT. A5) THEN\n BB =-(WAER(5) + WAER(3) - ROOT14 - ROOT7)\n CC = (WAER(5) - ROOT14 - ROOT7)*WAER(3) - A5\n DD = SQRT(MAX(BB*BB - 4.D0*CC, TINY))\n ROOT5A = 0.5D0*(-BB-DD)\n ROOT5B = 0.5D0*(-BB+DD)\n IF (ZERO.LE.ROOT5A) THEN\n ROOT5 = ROOT5A\n ELSE\n ROOT5 = ROOT5B\n ENDIF\n ROOT5 = MIN(MAX(ROOT5, ZERO), CHI5)\n PSI5 = CHI5-ROOT5\n ENDIF\n PSCONV5 = ABS(PSI5-PSI5O) .LE. EPS*PSI5O\n PSI5O = PSI5\nC\nC SODIUM CLORIDE\nC\n IF (NAI*CLI .GT. A7) THEN\n BB =-(WAER(5) + WAER(1) - ROOT8 - ROOT14 - ROOT5)\n CC = (WAER(5) - ROOT14 - ROOT5)*(WAER(1)-ROOT8) - A7\n DD = SQRT(MAX(BB*BB - 4.D0*CC, TINY))\n ROOT7A = 0.5D0*(-BB-DD)\n ROOT7B = 0.5D0*(-BB+DD)\n IF (ZERO.LE.ROOT7A) THEN\n ROOT7 = ROOT7A\n ELSE\n ROOT7 = ROOT7B\n ENDIF\n ROOT7 = MIN(MAX(ROOT7, ZERO), CHI7)\n PSI7 = CHI7-ROOT7\n ENDIF\n PSCONV7 = ABS(PSI7-PSI7O) .LE. EPS*PSI7O\n PSI7O = PSI7\nC\nC SODIUM NITRATE\nC\n IF (NAI*NO3I .GT. A8) THEN\n BB =-(WAER(4) - ROOT13 + WAER(1) - ROOT7)\n CC = (WAER(4) - ROOT13)*(WAER(1)-ROOT7) - A8\n DD = SQRT(MAX(BB*BB - 4.D0*CC, TINY))\n ROOT8A = 0.5D0*(-BB-DD)\n ROOT8B = 0.5D0*(-BB+DD)\n IF (ZERO.LE.ROOT8A) THEN\n ROOT8 = ROOT8A\n ELSE\n ROOT8 = ROOT8B\n ENDIF\n ROOT8 = MIN(MAX(ROOT8, ZERO), CHI8)\n PSI8 = CHI8-ROOT8\n ENDIF\n PSCONV8 = ABS(PSI8-PSI8O) .LE. EPS*PSI8O\n PSI8O = PSI8\nC\nC ION CONCENTRATIONS ; CORRECTIONS\nC\n KI = MAX (WAER(7) - 2.D0*ROOT9 - ROOT13 - ROOT14, ZERO)\n SO4I = MAX (WAER(2)-WAER(6) - ROOT9, ZERO)\n NH4I = MAX (WAER(3) - ROOT5, ZERO)\n NO3I = MAX (WAER(4) - ROOT13 - ROOT8, ZERO)\n CLI = MAX (WAER(5) - ROOT14 - ROOT5 - ROOT7, ZERO)\n CAI = ZERO\n NAI = MAX (WAER(1) - ROOT7 - ROOT8, ZERO)\n MGI = WAER(8)\nC\nC SOLUTION ACIDIC OR BASIC?\nC\n GG = 2.D0*SO4I + NO3I + CLI - NAI - NH4I\n & - 2.D0*CAI - KI - 2.D0*MGI\n IF (GG.GT.TINY) THEN ! H+ in excess\n BB =-GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n HI = 0.5D0*(-BB + SQRT(DD))\n OHI= AKW/HI\n ELSE ! OH- in excess\n BB = GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n OHI= 0.5D0*(-BB + SQRT(DD))\n HI = AKW/OHI\n ENDIF\nC\nC UNDISSOCIATED SPECIES EQUILIBRIA\nC\n IF (HI.GT.OHI) THEN\nC CALL CALCAMAQ2 (-GG, NH4I, OHI, NH3AQ)\nC HI = AKW/OHI\nC HSO4I = ZERO\nC ELSE\nC GGNO3 = MAX(2.D0*SO4I + NO3I - NAI - NH4I - 2.D0*CAI\nC & - KI - 2.D0*MGI, ZERO)\nC GGCL = MAX(GG-GGNO3, ZERO)\nC IF (GGCL .GT.TINY) CALL CALCCLAQ2 (GGCL, CLI, HI, CLAQ) ! HCl\nC IF (GGNO3.GT.TINY) THEN\nC IF (GGCL.LE.TINY) HI = ZERO\nC CALL CALCNIAQ2 (GGNO3, NO3I, HI, NO3AQ) ! HNO3\nC ENDIF\nC\nC CONCENTRATION ADJUSTMENTS ; HSO4 minor species.\nC\n CALL CALCHS4 (HI, SO4I, ZERO, DEL)\n else\n del= zero\n ENDIF\n SO4I = SO4I - DEL\n HI = HI - DEL\n HSO4I = DEL\nC IF (HI.LE.TINY) HI = SQRT(AKW)\n OHI = AKW/HI\nC\n IF (HI.LE.TINY) THEN\n HI = SQRT(AKW)\n OHI = AKW/HI\n ENDIF\nC\nC *** SAVE CONCENTRATIONS IN MOLAL ARRAY ******************************\nC\n MOLAL(1) = HI\n MOLAL(2) = NAI\n MOLAL(3) = NH4I\n MOLAL(4) = CLI\n MOLAL(5) = SO4I\n MOLAL(6) = HSO4I\n MOLAL(7) = NO3I\n MOLAL(8) = CAI\n MOLAL(9) = KI\n MOLAL(10)= MGI\nC\nC *** CALCULATE WATER **************************************************\nC\n CALL CALCMR\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n IF (PSCONV9 .AND. PSCONV13 .AND. PSCONV14 .AND. PSCONV5\n & .AND. PSCONV7 .AND. PSCONV8) GOTO 20\n ENDIF\n10 CONTINUE\nccc CALL PUSHERR (0002, 'CALCW5') ! WARNING ERROR: NO CONVERGENCE\nC\nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n20 A2 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2. ! NH3 <==> NH4+\n A3 = XK4 *R*TEMP*(WATER/GAMA(10))**2. ! HNO3 <==> NO3-\n A4 = XK3 *R*TEMP*(WATER/GAMA(11))**2. ! HCL <==> CL-\nC\n GNH3 = NH4I/HI/A2\n GHNO3 = HI*NO3I/A3\n GHCL = HI*CLI /A4\nC\n GASAQ(1)= NH3AQ\n GASAQ(2)= CLAQ\n GASAQ(3)= NO3AQ\nC\n CNH42S4 = ZERO\n CNH4NO3 = ZERO\n CNH4CL = CHI5 - PSI5\n CNACL = CHI7 - PSI7\n CNANO3 = CHI8 - PSI8\n CMGSO4 = ZERO\n CK2SO4 = CHI9 - PSI9\n CCASO4 = MIN (WAER(6), WAER(2))\n CCANO32 = ZERO\n CKNO3 = CHI13 - PSI13\n KCL = CHI14 - PSI14\n CMGNO32 = ZERO\n CMGCL2 = ZERO\n CCACL2 = ZERO\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCW5 ******************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCW4\nC *** CASE W4\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; Rcr+Na >= 2.0 ; Rcr > 2)\nC 2. SOLID AEROSOL ONLY\nC 3. SOLIDS POSSIBLE : CaSO4, K2SO4, KNO3, KCL, MGSO4,\nC MG(NO3)2, NANO3, NACL, NH4NO3, NH4CL\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCW4\n INCLUDE 'isrpia.inc'\n EXTERNAL CALCW1A, CALCW5A\nC\nC *** REGIME DEPENDS ON THE EXISTANCE OF WATER AND OF THE RH ************\nC\n IF (WAER(4).GT.TINY) THEN ! NO3 EXIST, WATER POSSIBLE\n SCASE = 'W4 ; SUBCASE 1'\n CALL CALCW4A\n SCASE = 'W4 ; SUBCASE 1'\n ELSE ! NO3, CL NON EXISTANT\n SCASE = 'W1 ; SUBCASE 1'\n CALL CALCW1A\n SCASE = 'W1 ; SUBCASE 1'\n ENDIF\nC\n IF (WATER.LE.TINY) THEN\n IF (RH.LT.DRMP4) THEN ! ONLY SOLIDS\n WATER = TINY\n DO 10 I=1,NIONS\n MOLAL(I) = ZERO\n10 CONTINUE\n CALL CALCW1A\n SCASE = 'W4 ; SUBCASE 2'\n RETURN\n ELSE\n SCASE = 'W4 ; SUBCASE 3' ! MDRH REGION (CaSO4, K2SO4, KNO3, KCL, MGSO4,\nC MG(NO3)2, NANO3, NACL, NH4NO3, NH4CL)\n CALL CALCMDRPII (RH, DRMP4, DRMGNO32, CALCW1A, CALCW5A)\n SCASE = 'W4 ; SUBCASE 3'\n ENDIF\n ENDIF\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCW4 ******************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCW4A\nC *** CASE W4A\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; Rcr+Na >= 2.0 ; Rcr > 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : CaSO4, K2SO4, KNO3, MGSO4, KCL, NH4CL, NACL,\nC NANO3, NH4NO3, MG(NO3)2\nC 4. Completely dissolved: CA(NO3)2, CACL2, MGCL2\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCW4A\n INCLUDE 'isrpia.inc'\nC\n LOGICAL PSCONV9, PSCONV13, PSCONV14, PSCONV5, PSCONV7, PSCONV8\n DOUBLE PRECISION NH4I, NAI, NO3I, NH3AQ, NO3AQ, CLAQ, CAI, KI, MGI\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n FRST =.TRUE.\n CALAIN =.TRUE.\n CALAOU =.TRUE.\nC\n PSCONV9 =.TRUE.\n PSCONV13=.TRUE.\n PSCONV14=.TRUE.\n PSCONV5 =.TRUE.\n PSCONV7 =.TRUE.\n PSCONV8 =.TRUE.\nC\n PSI9O =-GREAT\n PSI13O =-GREAT\n PSI14O =-GREAT\n PSI5O =-GREAT\n PSI7O =-GREAT\n PSI8O =-GREAT ! GREAT = 1.D10\nC\n ROOT9 = ZERO\n ROOT13 = ZERO\n ROOT14 = ZERO\n ROOT5 = ZERO\n ROOT7 = ZERO\n ROOT8 = ZERO\nC\nC *** CALCULATE INITIAL SOLUTION ***************************************\nC\n CALL CALCW1A\nC\n CHI9 = CK2SO4 ! SALTS\n CHI13 = CKNO3\n CHI10 = CMGSO4\n CHI14 = CKCL\n CHI5 = CNH4CL\n CHI7 = CNACL\n CHI8 = CNANO3\n CHI6 = CNH4NO3\n CHI15 = CMGNO32\n CHI11 = CCASO4\nC\n PSI1 = CNA2SO4 ! SALTS DISSOLVED\n PSI5 = CNH4CL\n PSI6 = CNH4NO3\n PSI7 = CNACL\n PSI8 = CNANO3\n PSI9 = CK2SO4\n PSI10 = CMGSO4\n PSI11 = CCASO4\n PSI12 = CCANO32\n PSI13 = CKNO3\n PSI14 = CKCL\n PSI15 = CMGNO32\n PSI16 = CMGCL2\n PSI17 = CCACL2\nC\n CALL CALCMR ! WATER\nC\n NAI = WAER(1) ! LIQUID CONCENTRATIONS\n SO4I = MAX (WAER(2) - WAER(6), ZERO)\n NH4I = WAER(3)\n NO3I = WAER(4)\n CLI = WAER(5)\n CAI = WAER(6)\n KI = WAER(7)\n MGI = WAER(8)\nC\n HSO4I = ZERO\n NH3AQ = ZERO\n NO3AQ = ZERO\n CLAQ = ZERO\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A9 = XK17 *(WATER/GAMA(17))**3.0 ! K2SO4 <==> K+\n A13 = XK19 *(WATER/GAMA(19))**2.0 ! KNO3 <==> K+\n A14 = XK20 *(WATER/GAMA(20))**2.0 ! KCL <==> K+\n A5 = XK14*(WATER/GAMA(6))**2.0 ! NH4Cl <==> NH4+\n A7 = XK8 *(WATER/GAMA(1))**2.0 ! NaCl <==> Na+\n A8 = XK9 *(WATER/GAMA(3))**2. ! NaNO3 <==> Na+\n AKW = XKW*RH*WATER*WATER ! H2O <==> H+\nC\nC POTASSIUM SULFATE\nC\n IF (KI*KI*SO4I .GT. A9) THEN\n BB =-((WAER(2)-WAER(6)) + WAER(7) - ROOT13 - ROOT14)\n CC = (WAER(7)-ROOT13-ROOT14)*(WAER(2)-WAER(6)) +\n & 0.25D0*(WAER(7)-ROOT13-ROOT14)**2.0\n DD =-0.25*((WAER(7)-ROOT13-ROOT14)**2.0*(WAER(2)-WAER(6)) - A9)\n CALL POLY3(BB, CC, DD, ROOT9, ISLV)\n IF (ISLV.NE.0) ROOT9 = TINY\n ROOT9 = MIN (ROOT9, WAER(7)/2.0-ROOT13-ROOT14,\n & (WAER(2)-WAER(6)), CHI9)\n ROOT9 = MAX (ROOT9, ZERO)\n PSI9 = CHI9 - ROOT9\n ENDIF\n PSCONV9 = ABS(PSI9-PSI9O) .LE. EPS*PSI9O\n PSI9O = PSI9\nC\nC POTASSIUM NITRATE\nC\n IF (KI*NO3I .GT. A13) THEN\n BB =-(WAER(4) - ROOT8 + WAER(7) - 2.D0*ROOT9 - ROOT14)\n CC = (WAER(4)-ROOT8)*(WAER(7) - 2.D0*ROOT9 - ROOT14) - A13\n DD = SQRT(MAX(BB*BB - 4.D0*CC, ZERO))\n ROOT13A= 0.5D0*(-BB-DD)\n ROOT13B= 0.5D0*(-BB+DD)\n IF (ZERO.LE.ROOT13A) THEN\n ROOT13 = ROOT13A\n ELSE\n ROOT13 = ROOT13B\n ENDIF\n ROOT13 = MIN(MAX(ROOT13, ZERO), CHI13)\n PSI13 = CHI13-ROOT13\n ENDIF\n PSCONV13 = ABS(PSI13-PSI13O) .LE. EPS*PSI13O\n PSI13O = PSI13\nC\nC POTASSIUM CLORIDE\nC\n IF (KI*CLI .GT. A14) THEN\n BB =-(WAER(5)-ROOT5-ROOT7 + WAER(7)-2.D0*ROOT9-ROOT13)\n CC = (WAER(5)-ROOT5-ROOT7)*(WAER(7)-2.D0*ROOT9-ROOT13)-A14\n DD = SQRT(MAX(BB*BB - 4.D0*CC, TINY))\n ROOT14A= 0.5D0*(-BB-DD)\n ROOT14B= 0.5D0*(-BB+DD)\n IF (ZERO.LE.ROOT14A) THEN\n ROOT14 = ROOT14A\n ELSE\n ROOT14 = ROOT14B\n ENDIF\n ROOT14 = MIN(MAX(ROOT14, ZERO), CHI14)\n PSI14 = CHI14-ROOT14\n ENDIF\n PSCONV14 = ABS(PSI14-PSI14O) .LE. EPS*PSI14O\n PSI14O = PSI14\nC\nC AMMONIUM CLORIDE\nC\n IF (NH4I*CLI .GT. A5) THEN\n BB =-(WAER(5) + WAER(3) - ROOT14 - ROOT7)\n CC = (WAER(5) - ROOT14 - ROOT7)*WAER(3) - A5\n DD = SQRT(MAX(BB*BB - 4.D0*CC, TINY))\n ROOT5A = 0.5D0*(-BB-DD)\n ROOT5B = 0.5D0*(-BB+DD)\n IF (ZERO.LE.ROOT5A) THEN\n ROOT5 = ROOT5A\n ELSE\n ROOT5 = ROOT5B\n ENDIF\n ROOT5 = MIN(MAX(ROOT5, ZERO), CHI5)\n PSI5 = CHI5-ROOT5\n ENDIF\n PSCONV5 = ABS(PSI5-PSI5O) .LE. EPS*PSI5O\n PSI5O = PSI5\nC\nC SODIUM CLORIDE\nC\n IF (NAI*CLI .GT. A7) THEN\n BB =-(WAER(5) + WAER(1) - ROOT8 - ROOT14 - ROOT5)\n CC = (WAER(5) - ROOT14 - ROOT5)*(WAER(1)-ROOT8) - A7\n DD = SQRT(MAX(BB*BB - 4.D0*CC, TINY))\n ROOT7A = 0.5D0*(-BB-DD)\n ROOT7B = 0.5D0*(-BB+DD)\n IF (ZERO.LE.ROOT7A) THEN\n ROOT7 = ROOT7A\n ELSE\n ROOT7 = ROOT7B\n ENDIF\n ROOT7 = MIN(MAX(ROOT7, ZERO), CHI7)\n PSI7 = CHI7-ROOT7\n ENDIF\n PSCONV7 = ABS(PSI7-PSI7O) .LE. EPS*PSI7O\n PSI7O = PSI7\nC\nC SODIUM NITRATE\nC\n IF (NAI*NO3I .GT. A8) THEN\n BB =-(WAER(4) - ROOT13 + WAER(1) - ROOT7)\n CC = (WAER(4) - ROOT13)*(WAER(1)-ROOT7) - A8\n DD = SQRT(MAX(BB*BB - 4.D0*CC, TINY))\n ROOT8A = 0.5D0*(-BB-DD)\n ROOT8B = 0.5D0*(-BB+DD)\n IF (ZERO.LE.ROOT8A) THEN\n ROOT8 = ROOT8A\n ELSE\n ROOT8 = ROOT8B\n ENDIF\n ROOT8 = MIN(MAX(ROOT8, ZERO), CHI8)\n PSI8 = CHI8-ROOT8\n ENDIF\n PSCONV8 = ABS(PSI8-PSI8O) .LE. EPS*PSI8O\n PSI8O = PSI8\nC\nC ION CONCENTRATIONS ; CORRECTIONS\nC\n KI = MAX (WAER(7) - 2.D0*ROOT9 - ROOT13 - ROOT14, ZERO)\n SO4I = MAX (WAER(2)-WAER(6) - ROOT9, ZERO)\n NH4I = MAX (WAER(3) - ROOT5, ZERO)\n NO3I = MAX (WAER(4) - ROOT13 - ROOT8, ZERO)\n CLI = MAX (WAER(5) - ROOT14 - ROOT5 - ROOT7, ZERO)\n CAI = ZERO\n NAI = MAX (WAER(1) - ROOT7 - ROOT8, ZERO)\n MGI = WAER(8)\nC\nC SOLUTION ACIDIC OR BASIC?\nC\n GG = 2.D0*SO4I + NO3I + CLI - NAI - NH4I\n & - 2.D0*CAI - KI - 2.D0*MGI\n IF (GG.GT.TINY) THEN ! H+ in excess\n BB =-GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n HI = 0.5D0*(-BB + SQRT(DD))\n OHI= AKW/HI\n ELSE ! OH- in excess\n BB = GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n OHI= 0.5D0*(-BB + SQRT(DD))\n HI = AKW/OHI\n ENDIF\nC\nC UNDISSOCIATED SPECIES EQUILIBRIA\nC\n IF (HI.GT.OHI) THEN\nC CALL CALCAMAQ2 (-GG, NH4I, OHI, NH3AQ)\nC HI = AKW/OHI\nC HSO4I = ZERO\nC ELSE\nC GGNO3 = MAX(2.D0*SO4I + NO3I - NAI - NH4I - 2.D0*CAI\nC & - KI - 2.D0*MGI, ZERO)\nC GGCL = MAX(GG-GGNO3, ZERO)\nC IF (GGCL .GT.TINY) CALL CALCCLAQ2 (GGCL, CLI, HI, CLAQ) ! HCl\nC IF (GGNO3.GT.TINY) THEN\nC IF (GGCL.LE.TINY) HI = ZERO\nC CALL CALCNIAQ2 (GGNO3, NO3I, HI, NO3AQ) ! HNO3\nC ENDIF\nC\nC CONCENTRATION ADJUSTMENTS ; HSO4 minor species.\nC\n CALL CALCHS4 (HI, SO4I, ZERO, DEL)\n else\n del= zero\n ENDIF\n SO4I = SO4I - DEL\n HI = HI - DEL\n HSO4I = DEL\nC IF (HI.LE.TINY) HI = SQRT(AKW)\n OHI = AKW/HI\nC\n IF (HI.LE.TINY) THEN\n HI = SQRT(AKW)\n OHI = AKW/HI\n ENDIF\nC\nC *** SAVE CONCENTRATIONS IN MOLAL ARRAY ******************************\nC\n MOLAL(1) = HI\n MOLAL(2) = NAI\n MOLAL(3) = NH4I\n MOLAL(4) = CLI\n MOLAL(5) = SO4I\n MOLAL(6) = HSO4I\n MOLAL(7) = NO3I\n MOLAL(8) = CAI\n MOLAL(9) = KI\n MOLAL(10)= MGI\nC\nC *** CALCULATE WATER **************************************************\nC\n CALL CALCMR\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n IF (PSCONV9 .AND. PSCONV13 .AND. PSCONV14 .AND. PSCONV5\n & .AND. PSCONV7 .AND. PSCONV8) GOTO 20\n ENDIF\n10 CONTINUE\nccc CALL PUSHERR (0002, 'CALCW4') ! WARNING ERROR: NO CONVERGENCE\nC\nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n20 A2 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2. ! NH3 <==> NH4+\n A3 = XK4 *R*TEMP*(WATER/GAMA(10))**2. ! HNO3 <==> NO3-\n A4 = XK3 *R*TEMP*(WATER/GAMA(11))**2. ! HCL <==> CL-\nC\n GNH3 = NH4I/HI/A2\n GHNO3 = HI*NO3I/A3\n GHCL = HI*CLI /A4\nC\n GASAQ(1)= NH3AQ\n GASAQ(2)= CLAQ\n GASAQ(3)= NO3AQ\nC\n CNH42S4 = ZERO\n CNH4NO3 = ZERO\n CNH4CL = CHI5 - PSI5\n CNACL = CHI7 - PSI7\n CNANO3 = CHI8 - PSI8\n CMGSO4 = ZERO\n CK2SO4 = CHI9 - PSI9\n CCASO4 = MIN (WAER(6), WAER(2))\n CCANO32 = ZERO\n CKNO3 = CHI13 - PSI13\n KCL = CHI14 - PSI14\n CMGNO32 = ZERO\n CMGCL2 = ZERO\n CCACL2 = ZERO\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCW4A ******************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCW3\nC *** CASE W3\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; Rcr+Na >= 2.0 ; Rcr > 2)\nC 2. SOLID AEROSOL ONLY\nC 3. SOLIDS POSSIBLE : CaSO4, CA(NO3)2, K2SO4, KNO3, KCL, MGSO4,\nC MG(NO3)2, NANO3, NACL, NH4NO3, NH4CL\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCW3\n INCLUDE 'isrpia.inc'\n EXTERNAL CALCW1A, CALCW4A\nC\nC *** REGIME DEPENDS ON THE EXISTANCE OF WATER AND OF THE RH ************\nC\nC IF (WAER(4).GT.TINY .AND. WAER(5).GT.TINY) THEN ! NO3,CL EXIST, WATER POSSIBLE\nC SCASE = 'W3 ; SUBCASE 1'\nC CALL CALCW3A\nC SCASE = 'W3 ; SUBCASE 1'\nC ELSE ! NO3, CL NON EXISTANT\nC SCASE = 'W1 ; SUBCASE 1'\nC CALL CALCW1A\nC SCASE = 'W1 ; SUBCASE 1'\nC ENDIF\nC\n CALL CALCW1A\n \n IF (WATER.LE.TINY) THEN\n IF (RH.LT.DRMP3) THEN ! ONLY SOLIDS\n WATER = TINY\n DO 10 I=1,NIONS\n MOLAL(I) = ZERO\n10 CONTINUE\n CALL CALCW1A\n SCASE = 'W3 ; SUBCASE 2'\n RETURN\n ELSE\n SCASE = 'W3 ; SUBCASE 3' ! MDRH REGION (CaSO4, CA(NO3)2, K2SO4, KNO3, KCL, MGSO4,\nC MG(NO3)2, NANO3, NACL, NH4NO3, NH4CL)\n CALL CALCMDRPII (RH, DRMP3, DRCANO32, CALCW1A, CALCW4A)\n SCASE = 'W3 ; SUBCASE 3'\n ENDIF\n ELSE ! NO3, CL NON EXISTANT\n SCASE = 'W3 ; SUBCASE 1'\n CALL CALCW3A\n SCASE = 'W3 ; SUBCASE 1'\n ENDIF\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCW3 ******************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCW3A\nC *** CASE W3A\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; Rcr+Na >= 2.0 ; Rcr > 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : CaSO4, K2SO4, KNO3, MGSO4, KCL, NH4CL, NACL,\nC NANO3, NH4NO3, CA(NO3)2, MG(NO3)2\nC 4. Completely dissolved: CACL2, MGCL2\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCW3A\n INCLUDE 'isrpia.inc'\nC\n LOGICAL PSCONV9, PSCONV13, PSCONV14, PSCONV5, PSCONV7, PSCONV8\n DOUBLE PRECISION NH4I, NAI, NO3I, NH3AQ, NO3AQ, CLAQ, CAI, KI, MGI\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n FRST =.TRUE.\n CALAIN =.TRUE.\n CALAOU =.TRUE.\nC\n PSCONV9 =.TRUE.\n PSCONV13=.TRUE.\n PSCONV14=.TRUE.\n PSCONV5 =.TRUE.\n PSCONV7 =.TRUE.\n PSCONV8 =.TRUE.\nC\n PSI9O =-GREAT\n PSI13O =-GREAT\n PSI14O =-GREAT\n PSI5O =-GREAT\n PSI7O =-GREAT\n PSI8O =-GREAT ! GREAT = 1.D10\nC\n ROOT9 = ZERO\n ROOT13 = ZERO\n ROOT14 = ZERO\n ROOT5 = ZERO\n ROOT7 = ZERO\n ROOT8 = ZERO\nC\nC *** CALCULATE INITIAL SOLUTION ***************************************\nC\n CALL CALCW1A\nC\n CHI9 = CK2SO4 ! SALTS\n CHI13 = CKNO3\n CHI10 = CMGSO4\n CHI14 = CKCL\n CHI5 = CNH4CL\n CHI7 = CNACL\n CHI8 = CNANO3\n CHI6 = CNH4NO3\n CHI15 = CMGNO32\n CHI12 = CCANO32\n CHI11 = CCASO4\nCC\n PSI1 = CNA2SO4 ! SALTS DISSOLVED\n PSI5 = CNH4CL\n PSI6 = CNH4NO3\n PSI7 = CNACL\n PSI8 = CNANO3\n PSI9 = CK2SO4\n PSI10 = CMGSO4\n PSI11 = CCASO4\n PSI12 = CCANO32\n PSI13 = CKNO3\n PSI14 = CKCL\n PSI15 = CMGNO32\n PSI16 = CMGCL2\n PSI17 = CCACL2\nC\n CALL CALCMR ! WATER\nC\n NAI = WAER(1) ! LIQUID CONCENTRATIONS\n SO4I = MAX (WAER(2) - WAER(6), ZERO)\n NH4I = WAER(3)\n NO3I = WAER(4)\n CLI = WAER(5)\n CAI = WAER(6)\n KI = WAER(7)\n MGI = WAER(8)\nC\n HSO4I = ZERO\n NH3AQ = ZERO\n NO3AQ = ZERO\n CLAQ = ZERO\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A9 = XK17 *(WATER/GAMA(17))**3.0 ! K2SO4 <==> K+\n A13 = XK19 *(WATER/GAMA(19))**2.0 ! KNO3 <==> K+\n A14 = XK20 *(WATER/GAMA(20))**2.0 ! KCL <==> K+\n A5 = XK14*(WATER/GAMA(6))**2.0 ! NH4Cl <==> NH4+\n A7 = XK8 *(WATER/GAMA(1))**2.0 ! NaCl <==> Na+\n A8 = XK9 *(WATER/GAMA(3))**2. ! NaNO3 <==> Na+\n AKW = XKW*RH*WATER*WATER ! H2O <==> H+\nC\nC POTASSIUM SULFATE\nC\n IF (KI*KI*SO4I .GT. A9) THEN\n BB =-((WAER(2)-WAER(6)) + WAER(7) - ROOT13 - ROOT14)\n CC = (WAER(7)-ROOT13-ROOT14)*(WAER(2)-WAER(6)) +\n & 0.25D0*(WAER(7)-ROOT13-ROOT14)**2.0\n DD =-0.25*((WAER(7)-ROOT13-ROOT14)**2.0*(WAER(2)-WAER(6)) - A9)\n CALL POLY3(BB, CC, DD, ROOT9, ISLV)\n IF (ISLV.NE.0) ROOT9 = TINY\n ROOT9 = MIN (ROOT9, WAER(7)/2.0-ROOT13-ROOT14,\n & (WAER(2)-WAER(6)), CHI9)\n ROOT9 = MAX (ROOT9, ZERO)\n PSI9 = CHI9 - ROOT9\n ENDIF\n PSCONV9 = ABS(PSI9-PSI9O) .LE. EPS*PSI9O\n PSI9O = PSI9\nC\nC POTASSIUM NITRATE\nC\n IF (KI*NO3I .GT. A13) THEN\n BB =-(WAER(4) - ROOT8 + WAER(7) - 2.D0*ROOT9 - ROOT14)\n CC = (WAER(4)-ROOT8)*(WAER(7) - 2.D0*ROOT9 - ROOT14) - A13\n DD = SQRT(MAX(BB*BB - 4.D0*CC, ZERO))\n ROOT13A= 0.5D0*(-BB-DD)\n ROOT13B= 0.5D0*(-BB+DD)\n IF (ZERO.LE.ROOT13A) THEN\n ROOT13 = ROOT13A\n ELSE\n ROOT13 = ROOT13B\n ENDIF\n ROOT13 = MIN(MAX(ROOT13, ZERO), CHI13)\n PSI13 = CHI13-ROOT13\n ENDIF\n PSCONV13 = ABS(PSI13-PSI13O) .LE. EPS*PSI13O\n PSI13O = PSI13\nC\nC POTASSIUM CLORIDE\nC\n IF (KI*CLI .GT. A14) THEN\n BB =-(WAER(5)-ROOT5-ROOT7 + WAER(7)-2.D0*ROOT9-ROOT13)\n CC = (WAER(5)-ROOT5-ROOT7)*(WAER(7)-2.D0*ROOT9-ROOT13)-A14\n DD = SQRT(MAX(BB*BB - 4.D0*CC, TINY))\n ROOT14A= 0.5D0*(-BB-DD)\n ROOT14B= 0.5D0*(-BB+DD)\n IF (ZERO.LE.ROOT14A) THEN\n ROOT14 = ROOT14A\n ELSE\n ROOT14 = ROOT14B\n ENDIF\n ROOT14 = MIN(MAX(ROOT14, ZERO), CHI14)\n PSI14 = CHI14-ROOT14\n ENDIF\n PSCONV14 = ABS(PSI14-PSI14O) .LE. EPS*PSI14O\n PSI14O = PSI14\nC\nC AMMONIUM CLORIDE\nC\n IF (NH4I*CLI .GT. A5) THEN\n BB =-(WAER(5) + WAER(3) - ROOT14 - ROOT7)\n CC = (WAER(5) - ROOT14 - ROOT7)*WAER(3) - A5\n DD = SQRT(MAX(BB*BB - 4.D0*CC, TINY))\n ROOT5A = 0.5D0*(-BB-DD)\n ROOT5B = 0.5D0*(-BB+DD)\n IF (ZERO.LE.ROOT5A) THEN\n ROOT5 = ROOT5A\n ELSE\n ROOT5 = ROOT5B\n ENDIF\n ROOT5 = MIN(MAX(ROOT5, ZERO), CHI5)\n PSI5 = CHI5-ROOT5\n ENDIF\n PSCONV5 = ABS(PSI5-PSI5O) .LE. EPS*PSI5O\n PSI5O = PSI5\nC\nC SODIUM CLORIDE\nC\n IF (NAI*CLI .GT. A7) THEN\n BB =-(WAER(5) + WAER(1) - ROOT8 - ROOT14 - ROOT5)\n CC = (WAER(5) - ROOT14 - ROOT5)*(WAER(1)-ROOT8) - A7\n DD = SQRT(MAX(BB*BB - 4.D0*CC, TINY))\n ROOT7A = 0.5D0*(-BB-DD)\n ROOT7B = 0.5D0*(-BB+DD)\n IF (ZERO.LE.ROOT7A) THEN\n ROOT7 = ROOT7A\n ELSE\n ROOT7 = ROOT7B\n ENDIF\n ROOT7 = MIN(MAX(ROOT7, ZERO), CHI7)\n PSI7 = CHI7-ROOT7\n ENDIF\n PSCONV7 = ABS(PSI7-PSI7O) .LE. EPS*PSI7O\n PSI7O = PSI7\nC\nC SODIUM NITRATE\nC\n IF (NAI*NO3I .GT. A8) THEN\n BB =-(WAER(4) - ROOT13 + WAER(1) - ROOT7)\n CC = (WAER(4) - ROOT13)*(WAER(1)-ROOT7) - A8\n DD = SQRT(MAX(BB*BB - 4.D0*CC, TINY))\n ROOT8A = 0.5D0*(-BB-DD)\n ROOT8B = 0.5D0*(-BB+DD)\n IF (ZERO.LE.ROOT8A) THEN\n ROOT8 = ROOT8A\n ELSE\n ROOT8 = ROOT8B\n ENDIF\n ROOT8 = MIN(MAX(ROOT8, ZERO), CHI8)\n PSI8 = CHI8-ROOT8\n ENDIF\n PSCONV8 = ABS(PSI8-PSI8O) .LE. EPS*PSI8O\n PSI8O = PSI8\nC\nC ION CONCENTRATIONS ; CORRECTIONS\nC\n KI = MAX (WAER(7) - 2.D0*ROOT9 - ROOT13 - ROOT14, ZERO)\n SO4I = MAX (WAER(2)-WAER(6) - ROOT9, ZERO)\n NH4I = MAX (WAER(3) - ROOT5, ZERO)\n NO3I = MAX (WAER(4) - ROOT13 - ROOT8, ZERO)\n CLI = MAX (WAER(5) - ROOT14 - ROOT5 - ROOT7, ZERO)\n CAI = ZERO\n NAI = MAX (WAER(1) - ROOT7 - ROOT8, ZERO)\n MGI = WAER(8)\nC\nC SOLUTION ACIDIC OR BASIC?\nC\n GG = 2.D0*SO4I + NO3I + CLI - NAI - NH4I\n & - 2.D0*CAI - KI - 2.D0*MGI\n IF (GG.GT.TINY) THEN ! H+ in excess\n BB =-GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n HI = 0.5D0*(-BB + SQRT(DD))\n OHI= AKW/HI\n ELSE ! OH- in excess\n BB = GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n OHI= 0.5D0*(-BB + SQRT(DD))\n HI = AKW/OHI\n ENDIF\nC\nC UNDISSOCIATED SPECIES EQUILIBRIA\nC\n IF (HI.GT.OHI) THEN\nC CALL CALCAMAQ2 (-GG, NH4I, OHI, NH3AQ)\nC HI = AKW/OHI\nC HSO4I = ZERO\nC ELSE\nC GGNO3 = MAX(2.D0*SO4I + NO3I - NAI - NH4I - 2.D0*CAI\nC & - KI - 2.D0*MGI, ZERO)\nC GGCL = MAX(GG-GGNO3, ZERO)\nC IF (GGCL .GT.TINY) CALL CALCCLAQ2 (GGCL, CLI, HI, CLAQ) ! HCl\nC IF (GGNO3.GT.TINY) THEN\nC IF (GGCL.LE.TINY) HI = ZERO\nC CALL CALCNIAQ2 (GGNO3, NO3I, HI, NO3AQ) ! HNO3\nC ENDIF\nC\nC CONCENTRATION ADJUSTMENTS ; HSO4 minor species.\nC\n CALL CALCHS4 (HI, SO4I, ZERO, DEL)\n else\n del= zero\n ENDIF\n SO4I = SO4I - DEL\n HI = HI - DEL\n HSO4I = DEL\nC IF (HI.LE.TINY) HI = SQRT(AKW)\n OHI = AKW/HI\nC\n IF (HI.LE.TINY) THEN\n HI = SQRT(AKW)\n OHI = AKW/HI\n ENDIF\nC\nC *** SAVE CONCENTRATIONS IN MOLAL ARRAY ******************************\nC\n MOLAL(1) = HI\n MOLAL(2) = NAI\n MOLAL(3) = NH4I\n MOLAL(4) = CLI\n MOLAL(5) = SO4I\n MOLAL(6) = HSO4I\n MOLAL(7) = NO3I\n MOLAL(8) = CAI\n MOLAL(9) = KI\n MOLAL(10)= MGI\nC\nC *** CALCULATE WATER **************************************************\nC\n CALL CALCMR\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n IF (PSCONV9 .AND. PSCONV13 .AND. PSCONV14 .AND. PSCONV5\n & .AND. PSCONV7 .AND. PSCONV8) GOTO 20\n ENDIF\n10 CONTINUE\nccc CALL PUSHERR (0002, 'CALCW3') ! WARNING ERROR: NO CONVERGENCE\nC\nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n20 A2 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2. ! NH3 <==> NH4+\n A3 = XK4 *R*TEMP*(WATER/GAMA(10))**2. ! HNO3 <==> NO3-\n A4 = XK3 *R*TEMP*(WATER/GAMA(11))**2. ! HCL <==> CL-\nC\n GNH3 = NH4I/HI/A2\n GHNO3 = HI*NO3I/A3\n GHCL = HI*CLI /A4\nC\n GASAQ(1)= NH3AQ\n GASAQ(2)= CLAQ\n GASAQ(3)= NO3AQ\nC\n CNH42S4 = ZERO\n CNH4NO3 = ZERO\n CNH4CL = CHI5 - PSI5\n CNACL = CHI7 - PSI7\n CNANO3 = CHI8 - PSI8\n CMGSO4 = ZERO\n CK2SO4 = CHI9 - PSI9\n CCASO4 = MIN (WAER(6), WAER(2))\n CCANO32 = ZERO\n CKNO3 = CHI13 - PSI13\n KCL = CHI14 - PSI14\n CMGNO32 = ZERO\n CMGCL2 = ZERO\n CCACL2 = ZERO\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCW3A ******************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCW2\nC *** CASE W2\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; Rcr+Na >= 2.0 ; Rcr > 2)\nC 2. SOLID AEROSOL ONLY\nC 3. SOLIDS POSSIBLE : CaSO4, CA(NO3)2, K2SO4, KNO3, KCL, MGSO4,\nC MG(NO3)2, MGCL2, NANO3, NACL, NH4NO3, NH4CL\nC\nC THERE ARE THREE REGIMES IN THIS CASE:\nC 1. CACL2(s) POSSIBLE. LIQUID & SOLID AEROSOL (SUBROUTINE CALCL2A)\nC 2. CACL2(s) NOT POSSIBLE, AND RH < MDRH. SOLID AEROSOL ONLY\nC 3. CACL2(s) NOT POSSIBLE, AND RH >= MDRH. SOLID & LIQUID AEROSOL\nC\nC REGIMES 2. AND 3. ARE CONSIDERED TO BE THE SAME AS CASES W1A, W2B\nC RESPECTIVELY\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\nC\n SUBROUTINE CALCW2\n INCLUDE 'isrpia.inc'\n EXTERNAL CALCW1A, CALCW3A, CALCW4A, CALCW5A, CALCW6\nC\nC *** FIND DRY COMPOSITION **********************************************\nC\n CALL CALCW1A\nC\nC *** REGIME DEPENDS UPON THE POSSIBLE SOLIDS & RH **********************\nC\n IF (CCACL2.GT.TINY) THEN\n SCASE = 'W2 ; SUBCASE 1'\n CALL CALCW2A\n SCASE = 'W2 ; SUBCASE 1'\n ENDIF\nC\n IF (WATER.LE.TINY) THEN\n IF (RH.LT.DRMP2) THEN ! ONLY SOLIDS\n WATER = TINY\n DO 10 I=1,NIONS\n MOLAL(I) = ZERO\n10 CONTINUE\n CALL CALCW1A\n SCASE = 'W2 ; SUBCASE 2'\n ELSE\n IF (CMGCL2.GT. TINY) THEN\n SCASE = 'W2 ; SUBCASE 3' ! MDRH (CaSO4, CA(NO3)2, K2SO4, KNO3, KCL, MGSO4, MGCL2,\nC MG(NO3)2, NANO3, NACL, NH4NO3, NH4CL)\n CALL CALCMDRPII (RH, DRMP2, DRMGCL2, CALCW1A, CALCW3A)\n SCASE = 'W2 ; SUBCASE 3'\n ENDIF\n IF (WATER.LE.TINY .AND. RH.GE.DRMP3 .AND. RH.LT.DRMP4) THEN\n SCASE = 'W2 ; SUBCASE 4' ! MDRH (CaSO4, K2SO4, KNO3, KCL, MGSO4, CANO32,\nC MG(NO3)2, NANO3, NACL, NH4NO3, NH4CL)\n CALL CALCMDRPII (RH, DRMP3, DRCANO32, CALCW1A, CALCW4A)\n SCASE = 'W2 ; SUBCASE 4'\n ENDIF\n IF (WATER.LE.TINY .AND. RH.GE.DRMP4 .AND. RH.LT.DRMP5) THEN\n SCASE = 'W2 ; SUBCASE 5' ! MDRH (CaSO4, K2SO4, KNO3, KCL, MGSO4,\nC MGNO32, NANO3, NACL, NH4NO3, NH4CL)\n CALL CALCMDRPII (RH, DRMP4, DRMGNO32, CALCW1A, CALCW5A)\n SCASE = 'W2 ; SUBCASE 5'\n ENDIF\n IF (WATER.LE.TINY .AND. RH.GE.DRMP5) THEN\n SCASE = 'W2 ; SUBCASE 6' ! MDRH (CaSO4, K2SO4, KNO3, KCL, MGSO4,\nC NANO3, NACL, NH4NO3, NH4CL)\n CALL CALCMDRPII (RH, DRMP5, DRNH4NO3, CALCW1A, CALCW6)\n SCASE = 'W2 ; SUBCASE 6'\n ELSE\n WATER = TINY\n DO 20 I=1,NIONS\n MOLAL(I) = ZERO\n20 CONTINUE\n CALL CALCW1A\n SCASE = 'W2 ; SUBCASE 2'\n ENDIF\n ENDIF\n ENDIF\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCW2 ******************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCW2A\nC *** CASE W2A\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; Rcr+Na >= 2.0 ; Rcr > 2)\nC 2. THERE IS BOTH A LIQUID & SOLID PHASE\nC 3. SOLIDS POSSIBLE : CaSO4, K2SO4, KNO3, MGSO4, KCL, NH4CL, NACL,\nC NANO3, NH4NO3, CA(NO3)2, MG(NO3)2, MGCL2\nC 4. Completely dissolved: CACL2\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCW2A\n INCLUDE 'isrpia.inc'\nC\n LOGICAL PSCONV9, PSCONV13, PSCONV14, PSCONV5, PSCONV7, PSCONV8\n DOUBLE PRECISION NH4I, NAI, NO3I, NH3AQ, NO3AQ, CLAQ, CAI, KI, MGI\nC\n COMMON /SOLUT/ CHI1, CHI2, CHI3, CHI4, CHI5, CHI6, CHI7, CHI8,\n & CHI9, CHI10, CHI11, CHI12, CHI13, CHI14, CHI15,\n & CHI16, CHI17, PSI1, PSI2, PSI3, PSI4, PSI5, PSI6,\n & PSI7, PSI8, PSI9, PSI10, PSI11, PSI12, PSI13,\n & PSI14, PSI15, PSI16, PSI17, A1, A2, A3, A4, A5, A6,\n & A7, A8, A9, A10, A11, A12, A13, A14, A15, A16, A17\nC\nC *** SETUP PARAMETERS ************************************************\nC\n FRST =.TRUE.\n CALAIN =.TRUE.\n CALAOU =.TRUE.\nC\n PSCONV9 =.TRUE.\n PSCONV13=.TRUE.\n PSCONV14=.TRUE.\n PSCONV5 =.TRUE.\n PSCONV7 =.TRUE.\n PSCONV8 =.TRUE.\nC\n PSI9O =-GREAT\n PSI13O =-GREAT\n PSI14O =-GREAT\n PSI5O =-GREAT\n PSI7O =-GREAT\n PSI8O =-GREAT ! GREAT = 1.D10\nC\n ROOT9 = ZERO\n ROOT13 = ZERO\n ROOT14 = ZERO\n ROOT5 = ZERO\n ROOT7 = ZERO\n ROOT8 = ZERO\nC\nC *** CALCULATE INITIAL SOLUTION ***************************************\nC\n CALL CALCW1A\nC\n CHI9 = CK2SO4 ! SALTS\n CHI13 = CKNO3\n CHI10 = CMGSO4\n CHI14 = CKCL\n CHI5 = CNH4CL\n CHI7 = CNACL\n CHI8 = CNANO3\n CHI6 = CNH4NO3\n CHI15 = CMGNO32\n CHI12 = CCANO32\n CHI16 = CMGCL2\n CHI11 = CCASO4\nC\n PSI1 = CNA2SO4 ! SALTS DISSOLVED\n PSI5 = CNH4CL\n PSI6 = CNH4NO3\n PSI7 = CNACL\n PSI8 = CNANO3\n PSI9 = CK2SO4\n PSI10 = CMGSO4\n PSI11 = CCASO4\n PSI12 = CCANO32\n PSI13 = CKNO3\n PSI14 = CKCL\n PSI15 = CMGNO32\n PSI16 = CMGCL2\n PSI17 = CCACL2\nC\n CALL CALCMR ! WATER\nC\n NAI = WAER(1) ! LIQUID CONCENTRATIONS\n SO4I = MAX (WAER(2) - WAER(6), ZERO)\n NH4I = WAER(3)\n NO3I = WAER(4)\n CLI = WAER(5)\n CAI = WAER(6)\n KI = WAER(7)\n MGI = WAER(8)\nC\n HSO4I = ZERO\n NH3AQ = ZERO\n NO3AQ = ZERO\n CLAQ = ZERO\nC\nC *** SOLVE EQUATIONS ; WITH ITERATIONS FOR ACTIVITY COEF. ************\nC\n DO 10 I=1,NSWEEP\nC\n A9 = XK17 *(WATER/GAMA(17))**3.0 ! K2SO4 <==> K+\n A13 = XK19 *(WATER/GAMA(19))**2.0 ! KNO3 <==> K+\n A14 = XK20 *(WATER/GAMA(20))**2.0 ! KCL <==> K+\n A5 = XK14*(WATER/GAMA(6))**2.0 ! NH4Cl <==> NH4+\n A7 = XK8 *(WATER/GAMA(1))**2.0 ! NaCl <==> Na+\n A8 = XK9 *(WATER/GAMA(3))**2. ! NaNO3 <==> Na+\n AKW = XKW*RH*WATER*WATER ! H2O <==> H+\nC\nC POTASSIUM SULFATE\nC\n IF (KI*KI*SO4I .GT. A9) THEN\n BB =-((WAER(2)-WAER(6)) + WAER(7) - ROOT13 - ROOT14)\n CC = (WAER(7)-ROOT13-ROOT14)*(WAER(2)-WAER(6)) +\n & 0.25D0*(WAER(7)-ROOT13-ROOT14)**2.0\n DD =-0.25*((WAER(7)-ROOT13-ROOT14)**2.0*(WAER(2)-WAER(6)) - A9)\n CALL POLY3(BB, CC, DD, ROOT9, ISLV)\n IF (ISLV.NE.0) ROOT9 = TINY\n ROOT9 = MIN (ROOT9, WAER(7)/2.0-ROOT13-ROOT14,\n & (WAER(2)-WAER(6)), CHI9)\n ROOT9 = MAX (ROOT9, ZERO)\n PSI9 = CHI9 - ROOT9\n ENDIF\n PSCONV9 = ABS(PSI9-PSI9O) .LE. EPS*PSI9O\n PSI9O = PSI9\nC\nC POTASSIUM NITRATE\nC\n IF (KI*NO3I .GT. A13) THEN\n BB =-(WAER(4) - ROOT8 + WAER(7) - 2.D0*ROOT9 - ROOT14)\n CC = (WAER(4)-ROOT8)*(WAER(7) - 2.D0*ROOT9 - ROOT14) - A13\n DD = SQRT(MAX(BB*BB - 4.D0*CC, TINY))\n ROOT13A= 0.5D0*(-BB-DD)\n ROOT13B= 0.5D0*(-BB+DD)\n IF (ZERO.LE.ROOT13A) THEN\n ROOT13 = ROOT13A\n ELSE\n ROOT13 = ROOT13B\n ENDIF\n ROOT13 = MIN(MAX(ROOT13, ZERO), CHI13)\n PSI13 = CHI13-ROOT13\n ENDIF\n PSCONV13 = ABS(PSI13-PSI13O) .LE. EPS*PSI13O\n PSI13O = PSI13\nC\nC POTASSIUM CLORIDE\nC\n IF (KI*CLI .GT. A14) THEN\n BB =-(WAER(5)-ROOT5-ROOT7 + WAER(7)-2.D0*ROOT9-ROOT13)\n CC = (WAER(5)-ROOT5-ROOT7)*(WAER(7)-2.D0*ROOT9-ROOT13)-A14\n DD = SQRT(MAX(BB*BB - 4.D0*CC, TINY))\n ROOT14A= 0.5D0*(-BB-DD)\n ROOT14B= 0.5D0*(-BB+DD)\n IF (ZERO.LE.ROOT14A) THEN\n ROOT14 = ROOT14A\n ELSE\n ROOT14 = ROOT14B\n ENDIF\n ROOT14 = MIN(MAX(ROOT14, ZERO), CHI14)\n PSI14 = CHI14-ROOT14\n ENDIF\n PSCONV14 = ABS(PSI14-PSI14O) .LE. EPS*PSI14O\n PSI14O = PSI14\nC\nC AMMONIUM CLORIDE\nC\n IF (NH4I*CLI .GT. A5) THEN\n BB =-(WAER(5) + WAER(3) - ROOT14 - ROOT7)\n CC = (WAER(5) - ROOT14 - ROOT7)*WAER(3) - A5\n DD = SQRT(MAX(BB*BB - 4.D0*CC, TINY))\n ROOT5A = 0.5D0*(-BB-DD)\n ROOT5B = 0.5D0*(-BB+DD)\n IF (ZERO.LE.ROOT5A) THEN\n ROOT5 = ROOT5A\n ELSE\n ROOT5 = ROOT5B\n ENDIF\n ROOT5 = MIN(MAX(ROOT5, ZERO), CHI5)\n PSI5 = CHI5-ROOT5\n ENDIF\n PSCONV5 = ABS(PSI5-PSI5O) .LE. EPS*PSI5O\n PSI5O = PSI5\nC\nC SODIUM CLORIDE\nC\n IF (NAI*CLI .GT. A7) THEN\n BB =-(WAER(5) + WAER(1) - ROOT8 - ROOT14 - ROOT5)\n CC = (WAER(5) - ROOT14 - ROOT5)*(WAER(1)-ROOT8) - A7\n DD = SQRT(MAX(BB*BB - 4.D0*CC, TINY))\n ROOT7A = 0.5D0*(-BB-DD)\n ROOT7B = 0.5D0*(-BB+DD)\n IF (ZERO.LE.ROOT7A) THEN\n ROOT7 = ROOT7A\n ELSE\n ROOT7 = ROOT7B\n ENDIF\n ROOT7 = MIN(MAX(ROOT7, ZERO), CHI7)\n PSI7 = CHI7-ROOT7\n ENDIF\n PSCONV7 = ABS(PSI7-PSI7O) .LE. EPS*PSI7O\n PSI7O = PSI7\nC\nC SODIUM NITRATE\nC\n IF (NAI*NO3I .GT. A8) THEN\n BB =-(WAER(4) - ROOT13 + WAER(1) - ROOT7)\n CC = (WAER(4) - ROOT13)*(WAER(1)-ROOT7) - A8\n DD = SQRT(MAX(BB*BB - 4.D0*CC, TINY))\n ROOT8A = 0.5D0*(-BB-DD)\n ROOT8B = 0.5D0*(-BB+DD)\n IF (ZERO.LE.ROOT8A) THEN\n ROOT8 = ROOT8A\n ELSE\n ROOT8 = ROOT8B\n ENDIF\n ROOT8 = MIN(MAX(ROOT8, ZERO), CHI8)\n PSI8 = CHI8-ROOT8\n ENDIF\n PSCONV8 = ABS(PSI8-PSI8O) .LE. EPS*PSI8O\n PSI8O = PSI8\nC\nC ION CONCENTRATIONS ; CORRECTIONS\nC\n KI = MAX (WAER(7) - 2.D0*ROOT9 - ROOT13 - ROOT14, ZERO)\n SO4I = MAX (WAER(2)-WAER(6) - ROOT9, ZERO)\n NH4I = MAX (WAER(3) - ROOT5, ZERO)\n NO3I = MAX (WAER(4) - ROOT13 - ROOT8, ZERO)\n CLI = MAX (WAER(5) - ROOT14 - ROOT5 - ROOT7, ZERO)\n CAI = ZERO\n NAI = MAX (WAER(1) - ROOT7 - ROOT8, ZERO)\n MGI = WAER(8)\nC\nC SOLUTION ACIDIC OR BASIC?\nC\n GG = 2.D0*SO4I + NO3I + CLI - NAI - NH4I\n & - 2.D0*CAI - KI - 2.D0*MGI\n IF (GG.GT.TINY) THEN ! H+ in excess\n BB =-GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n HI = 0.5D0*(-BB + SQRT(DD))\n OHI= AKW/HI\n ELSE ! OH- in excess\n BB = GG\n CC =-AKW\n DD = BB*BB - 4.D0*CC\n OHI= 0.5D0*(-BB + SQRT(DD))\n HI = AKW/OHI\n ENDIF\nC\nC UNDISSOCIATED SPECIES EQUILIBRIA\nC\n IF (HI.GT.OHI) THEN\nC CALL CALCAMAQ2 (-GG, NH4I, OHI, NH3AQ)\nC HI = AKW/OHI\nC HSO4I = ZERO\nC ELSE\nC GGNO3 = MAX(2.D0*SO4I + NO3I - NAI - NH4I - 2.D0*CAI\nC & - KI - 2.D0*MGI, ZERO)\nC GGCL = MAX(GG-GGNO3, ZERO)\nC IF (GGCL .GT.TINY) CALL CALCCLAQ2 (GGCL, CLI, HI, CLAQ) ! HCl\nC IF (GGNO3.GT.TINY) THEN\nC IF (GGCL.LE.TINY) HI = ZERO\nC CALL CALCNIAQ2 (GGNO3, NO3I, HI, NO3AQ) ! HNO3\nC ENDIF\nC\nC CONCENTRATION ADJUSTMENTS ; HSO4 minor species.\nC\n CALL CALCHS4 (HI, SO4I, ZERO, DEL)\n else\n del= zero\n ENDIF\n SO4I = SO4I - DEL\n HI = HI - DEL\n HSO4I = DEL\nC IF (HI.LE.TINY) HI = SQRT(AKW)\n OHI = AKW/HI\nC\n IF (HI.LE.TINY) THEN\n HI = SQRT(AKW)\n OHI = AKW/HI\n ENDIF\nC\nC *** SAVE CONCENTRATIONS IN MOLAL ARRAY ******************************\nC\n MOLAL(1) = HI\n MOLAL(2) = NAI\n MOLAL(3) = NH4I\n MOLAL(4) = CLI\n MOLAL(5) = SO4I\n MOLAL(6) = HSO4I\n MOLAL(7) = NO3I\n MOLAL(8) = CAI\n MOLAL(9) = KI\n MOLAL(10)= MGI\nC\nC *** CALCULATE WATER **************************************************\nC\n CALL CALCMR\nC\nC *** CALCULATE ACTIVITIES OR TERMINATE INTERNAL LOOP *****************\nC\n IF (FRST.AND.CALAOU .OR. .NOT.FRST.AND.CALAIN) THEN\n CALL CALCACT\n ELSE\n IF (PSCONV9 .AND. PSCONV13 .AND. PSCONV14 .AND. PSCONV5\n & .AND. PSCONV7 .AND. PSCONV8) GOTO 20\n ENDIF\n10 CONTINUE\nccc CALL PUSHERR (0002, 'CALCW2') ! WARNING ERROR: NO CONVERGENCE\nC\nC *** CALCULATE GAS / SOLID SPECIES (LIQUID IN MOLAL ALREADY) *********\nC\n20 A2 = (XK2/XKW)*R*TEMP*(GAMA(10)/GAMA(5))**2. ! NH3 <==> NH4+\n A3 = XK4 *R*TEMP*(WATER/GAMA(10))**2. ! HNO3 <==> NO3-\n A4 = XK3 *R*TEMP*(WATER/GAMA(11))**2. ! HCL <==> CL-\nC\n GNH3 = NH4I/HI/A2\n GHNO3 = HI*NO3I/A3\n GHCL = HI*CLI /A4\nC\n GASAQ(1)= NH3AQ\n GASAQ(2)= CLAQ\n GASAQ(3)= NO3AQ\nC\n CNH42S4 = ZERO\n CNH4NO3 = ZERO\n CNH4CL = CHI5 - PSI5\n CNACL = CHI7 - PSI7\n CNANO3 = CHI8 - PSI8\n CMGSO4 = ZERO\n CK2SO4 = CHI9 - PSI9\n CCASO4 = MIN (WAER(6), WAER(2))\n CCANO32 = ZERO\n CKNO3 = CHI13 - PSI13\n KCL = CHI14 - PSI14\n CMGNO32 = ZERO\n CMGCL2 = ZERO\n CCACL2 = ZERO\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCW2A ******************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCW1\nC *** CASE W1\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; Rcr+Na >= 2.0 ; Rcr > 2)\nC 2. SOLID AEROSOL ONLY\nC 3. SOLIDS POSSIBLE : CaSO4, CA(NO3)2, CACL2, K2SO4, KNO3, KCL, MGSO4,\nC MG(NO3)2, MGCL2, NANO3, NACL, NH4NO3, NH4CL\nC\nC THERE ARE TWO POSSIBLE REGIMES HERE, DEPENDING ON RELATIVE HUMIDITY:\nC 1. WHEN RH >= MDRH ; LIQUID PHASE POSSIBLE (MDRH REGION)\nC 2. WHEN RH < MDRH ; ONLY SOLID PHASE POSSIBLE (SUBROUTINE CALCP1A)\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCW1\n INCLUDE 'isrpia.inc'\n EXTERNAL CALCW1A, CALCW2A\nC\nC *** REGIME DEPENDS UPON THE AMBIENT RELATIVE HUMIDITY *****************\nC\n IF (RH.LT.DRMP1) THEN\n SCASE = 'W1 ; SUBCASE 1'\n CALL CALCW1A ! SOLID PHASE ONLY POSSIBLE\n SCASE = 'W1 ; SUBCASE 1'\n ELSE\n SCASE = 'W1 ; SUBCASE 2' ! LIQUID & SOLID PHASE POSSIBLE\n CALL CALCMDRPII (RH, DRMP1, DRCACL2, CALCW1A, CALCW2A)\n SCASE = 'W1 ; SUBCASE 2'\n ENDIF\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCW1 ******************************************\nC\n END\nC\nC=======================================================================\nC\nC *** ISORROPIA CODE II\nC *** SUBROUTINE CALCW1A\nC *** CASE W1A\nC\nC THE MAIN CHARACTERISTICS OF THIS REGIME ARE:\nC 1. SULFATE POOR (SULRAT > 2.0) ; Rcr+Na >= 2.0 ; Rcr > 2)\nC 2. SOLID AEROSOL ONLY\nC 3. SOLIDS POSSIBLE : CaSO4, CA(NO3)2, CACL2, K2SO4, KNO3, KCL, MGSO4,\nC MG(NO3)2, MGCL2, NANO3, NACL, NH4NO3, NH4CL\nC\nC *** COPYRIGHT 1996-2012, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY CHRISTOS FOUNTOUKIS & ATHANASIOS NENES\nC *** UPDATE|ADJOINT BY SHANNON CAPPS\nC\nC=======================================================================\nC\n SUBROUTINE CALCW1A\n INCLUDE 'isrpia.inc'\nC\nC *** CALCULATE SOLIDS **************************************************\nC\n CCASO4 = MIN (WAER(2), WAER(6)) !SOLID CASO4\n CAFR = MAX (WAER(6) - CCASO4, ZERO)\n SO4FR = MAX (WAER(2) - CCASO4, ZERO)\n CK2SO4 = MIN (SO4FR, 0.5D0*WAER(7)) !SOLID K2SO4\n FRK = MAX (WAER(7) - 2.D0*CK2SO4, ZERO)\n SO4FR = MAX (SO4FR - CK2SO4, ZERO)\n CMGSO4 = SO4FR !SOLID MGSO4\n FRMG = MAX (WAER(8) - CMGSO4, ZERO)\n CNACL = MIN (WAER(1), WAER(5)) !SOLID NACL\n FRNA = MAX (WAER(1) - CNACL, ZERO)\n CLFR = MAX (WAER(5) - CNACL, ZERO)\n CCACL2 = MIN (CAFR, 0.5D0*CLFR) !SOLID CACL2\n CAFR = MAX (CAFR - CCACL2, ZERO)\n CLFR = MAX (WAER(5) - 2.D0*CCACL2, ZERO)\n CCANO32 = MIN (CAFR, 0.5D0*WAER(4)) !SOLID CA(NO3)2\n CAFR = MAX (CAFR - CCANO32, ZERO)\n FRNO3 = MAX (WAER(4) - 2.D0*CCANO32, ZERO)\n CMGCL2 = MIN (FRMG, 0.5D0*CLFR) !SOLID MGCL2\n FRMG = MAX (FRMG - CMGCL2, ZERO)\n CLFR = MAX (CLFR - 2.D0*CMGCL2, ZERO)\n CMGNO32 = MIN (FRMG, 0.5D0*FRNO3) !SOLID MG(NO3)2\n FRMG = MAX (FRMG - CMGNO32, ZERO)\n FRNO3 = MAX (FRNO3 - 2.D0*CMGNO32, ZERO)\n CNANO3 = MIN (FRNA, FRNO3) !SOLID NANO3\n FRNA = MAX (FRNA - CNANO3, ZERO)\n FRNO3 = MAX (FRNO3 - CNANO3, ZERO)\n CKCL = MIN (FRK, CLFR) !SOLID KCL\n FRK = MAX (FRK - CKCL, ZERO)\n CLFR = MAX (CLFR - CKCL, ZERO)\n CKNO3 = MIN (FRK, FRNO3) !SOLID KNO3\n FRK = MAX (FRK - CKNO3, ZERO)\n FRNO3 = MAX (FRNO3 - CKNO3, ZERO)\nC\nC *** OTHER PHASES ******************************************************\nC\n WATER = ZERO\nC\n GNH3 = ZERO\n GHNO3 = ZERO\n GHCL = ZERO\nC\n RETURN\nC\nC *** END OF SUBROUTINE CALCW1A *****************************************\nC\n END\n" }, { "path": "CCTM/src/aero/aero6/isrpia.inc", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/CCTM/src/aero/aero6/isrpia.inc,v 1.4 2011/10/21 16:10:15 yoj Exp $\n\nC=======================================================================\nC *** ISORROPIA CODE II\nC *** INCLUDE FILE 'ISRPIA.INC'\nC *** THIS FILE CONTAINS THE DECLARATIONS OF THE GLOBAL CONSTANTS\nC AND VARIABLES. \nC\nC *** COPYRIGHT 1996-2008, UNIVERSITY OF MIAMI, CARNEGIE MELLON UNIVERSITY,\nC *** GEORGIA INSTITUTE OF TECHNOLOGY\nC *** WRITTEN BY ATHANASIOS NENES\nC *** UPDATED BY CHRISTOS FOUNTOUKIS\nC\nC=======================================================================\nC\n IMPLICIT DOUBLE PRECISION (A-H,O-Z)\n PARAMETER (NCOMP=8,NIONS=10,NGASAQ=3,NSLDS=19,NPAIR=23,NZSR=100,\n & NERRMX=25)\nC\nC *** INPUT VARIABLES **************************************************\nC\n INTEGER METSTBL\n COMMON /INPT/ W(NCOMP), WAER(NCOMP), TEMP, RH, IPROB, METSTBL,\n & NADJ\nC\nC *** WATER ACTIVITIES OF PURE SALT SOLUTIONS **************************\nC\n COMMON /ZSR / AWAS(NZSR), AWSS(NZSR), AWAC(NZSR), AWSC(NZSR),\n & AWAN(NZSR), AWSN(NZSR), AWSB(NZSR), AWAB(NZSR),\n & AWSA(NZSR), AWLC(NZSR), AWCS(NZSR), AWCN(NZSR),\n & AWCC(NZSR), AWPS(NZSR), AWPB(NZSR), AWPN(NZSR),\n & AWPC(NZSR), AWMS(NZSR), AWMN(NZSR), AWMC(NZSR)\nC\nC *** DELIQUESCENCE RELATIVE HUMIDITIES ********************************\nC\n INTEGER WFTYP\n COMMON /DRH / DRH2SO4, DRNH42S4, DRNAHSO4, DRNACL, DRNANO3, \n & DRNA2SO4, DRNH4HS4, DRLC, DRNH4NO3, DRNH4CL,\n & DRCASO4, DRCANO32, DRCACL2, DRK2SO4, DRKHSO4,\n & DRKNO3, DRKCL, DRMGSO4, DRMGNO32, DRMGCL2\nC\n COMMON /MDRH/ DRMLCAB, DRMLCAS, DRMASAN, DRMG1, DRMG2,\n & DRMG3, DRMH1, DRMH2, DRMI1, DRMI2,\n & DRMI3, DRMQ1, DRMR1, DRMR2, DRMR3,\n & DRMR4, DRMR5, DRMR6, DRMR7, DRMR8,\n & DRMR9, DRMR10, DRMR11, DRMR12, DRMR13,\n & WFTYP\nC\n COMMON /MDRH2/ DRMO1, DRMO2, DRMO3, DRML1, DRML2,\n & DRML3, DRMM1, DRMM2, DRMP1, DRMP2,\n & DRMP3, DRMP4, DRMP5, DRMV1\n\nC\nC *** VARIABLES FOR LIQUID AEROSOL PHASE *******************************\nC\n DOUBLE PRECISION MOLAL, MOLALR, M0\n REAL IONIC\n LOGICAL CALAOU, CALAIN, FRST, DRYF\n COMMON /IONS/ MOLAL(NIONS), MOLALR(NPAIR), GAMA(NPAIR), ZZ(NPAIR),\n & Z(NIONS), GAMOU(NPAIR), GAMIN(NPAIR),M0(NPAIR),\n & GASAQ(NGASAQ),\n & EPSACT, COH, CHNO3, CHCL, \n & WATER, IONIC, IACALC, \n & FRST, CALAIN, CALAOU, DRYF\nC\nC *** VARIABLES FOR SOLID AEROSOL PHASE ********************************\nC\n COMMON /SALT/ CH2SO4, CNH42S4, CNH4HS4, CNACL, CNA2SO4, \n & CNANO3, CNH4NO3, CNH4CL, CNAHSO4, CLC, CCASO4,\n & CCANO32, CCACL2, CK2SO4, CKHSO4, CKNO3, CKCL,\n & CMGSO4, CMGNO32, CMGCL2\nC\nC *** VARIABLES FOR GAS PHASE ******************************************\nC\n COMMON /GAS / GNH3, GHNO3, GHCL, GNH3D, GHNO3D, GHCLD\nC\nC *** EQUILIBRIUM CONSTANTS ********************************************\nC\n COMMON /EQUK/ XK1, XK2, XK3, XK4, XK5, XK6, XK7, XK8, XK9, XK10,\n & XK11,XK12,XK13,XK14,XKW, XK21,XK22,XK31,XK32,XK41,\n & XK42, XK15, XK16, XK17, XK18, XK19, XK20, XK23,\n & XK24, XK25\nC & , XK26, XK27\nC\nC *** MOLECULAR WEIGHTS ************************************************\nC\n DOUBLE PRECISION IMW\n COMMON /OTHR/ R, IMW(NIONS), WMW(NCOMP), SMW(NPAIR)\nC\nC *** SOLUTION/INFO VARIABLES ******************************************\nC\n CHARACTER SCASE*15\n COMMON /CASE/ SULRATW, SULRAT, SODRAT, SO4RAT, CRNARAT, CRRAT,\n & SCASE\nC\n COMMON /SOLN/ EPS, MAXIT, NSWEEP, NDIV, ICLACT\nC\nC *** ERROR SYSTEM *****************************************************\nC\n CHARACTER ERRMSG*40\n INTEGER ERRSTK, NOFER \n LOGICAL STKOFL \n COMMON /EROR/ STKOFL, NOFER, ERRSTK(NERRMX), ERRMSG(NERRMX)\nC\nC *** GENERIC VARIABLES ************************************************\nC\n CHARACTER VERSION*15\n COMMON /CGEN/ GREAT, TINY, TINY2, ZERO, ONE, VERSION\n\nC *** Wen added for ddmisrpia\nC\nC *** MOLAL BEFORE ADJUSTMENT OF MINOR SPEICIES ************************\nC\n DOUBLE PRECISION MOLALD\n COMMON /MINOR/ MOLALD(NIONS)\nC\nC *** WEN ADDED FOR FILTERING OUT NONPHYSICAL POINTS IN CALCD3\nC\n INTEGER NONPYS,SAT\n COMMON /FILT/ NONPYS,SAT\nC\nC *** END OF INCLUDE FILE **********************************************\nC\n" }, { "path": "CCTM/src/biog/beis4/beis.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/CCTM/src/biog/beis3/beis3.f,v 1.2 2011/10/21 16:10:17 yoj Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE BEIS( JDATE, JTIME, NX, NY, MSPCS, SEMIS, BIPOL )\n\nC-----------------------------------------------------------------------\nC Description:\n \nC Uses PAR and sfc temperature data to calculate\nC biogenic ISOP and MBO emissions. Other emissions are\nC calculated using the temperature data only.\n \nC Preconditions:\nC PAR and Surface Temperature\n \nC Subroutines and Functions Called:\n \nC Revision History:\nC 4/01 : Prototype by JMV\nC 6/05 : updates for BEIS3.3 by D. Schwede (BEIS3.13)\nC 8/05 : additional diagnostic messages for PAR out of bounds (G. Pouliot)\nC 10/06 : yoj\nC 1/10 : yoj remove ck & report if TAIR > 315\nC 7/14 : JOB added leaf temperature and two layer canopy model\nC 11/07 : JOB updated for ASX_DATA_MOD and corrected the Cl algorithm \nC to be consitent with Gunther et al. 1999 doi:10.1029/1999JD900391\nC 5/7/18: D. Schwede Removed call to CZANGLE. COSZEN now calculated in ASX_DATA_MOD\nC-----------------------------------------------------------------------\nC Modified from:\n\nC Project Title: Sparse Matrix Operator Kernel Emissions (SMOKE) Modeling\nC System\nC File: @(#)$Id: beis3.f,v 1.2 2011/10/21 16:10:17 yoj Exp $\nC COPYRIGHT (C) 2004, Environmental Modeling for Policy Development\nC All Rights Reserved\nC Carolina Environmental Program\nC University of North Carolina at Chapel Hill\nC 137 E. Franklin St., CB# 6116\nC Chapel Hill, NC 27599-6116\nC smoke@unc.edu\nC Pathname: $Source: /project/yoj/arc/CCTM/src/biog/beis3/beis3.f,v $\nC Last updated: $Date: 2011/10/21 16:10:17 $\nC-----------------------------------------------------------------------\n\n USE BIOG_EMIS, ONLY: NSEF, NLAI, LAITYPES\n Use ASX_DATA_MOD\n\n IMPLICIT NONE\nC Includes:\n\nC Arguments:\n INTEGER, INTENT( IN ) :: JDATE ! current simulation date (YYYYDDD)\n INTEGER, INTENT( IN ) :: JTIME ! current simulation time (HHMMSS)\n INTEGER, INTENT( IN ) :: NX ! no. columns\n INTEGER, INTENT( IN ) :: NY ! no. rows\n INTEGER, INTENT( IN ) :: MSPCS ! no. of output species\n\n REAL, INTENT( IN ) :: SEMIS ( :,:,: ) ! normalized emissions\n REAL, INTENT( OUT ) :: BIPOL( :,:,: ) ! output emissions\n\nC Local Variables:\n INTEGER R, C, L, I ! counters\n\n REAL CFOTHR ! isop corr fac -- non-forest\n REAL CFCLAI ! isop corr fac -- LAI\n REAL CFNO ! NO correction factor\n REAL CFOVOC ! non-isop corr fac\n REAL CFSESQT ! sesquiterpene corr fac\n REAL PAR ! photo. actinic flux (UE/M**2-S) (UE=micro-einsteins)\n REAL CT_SUN ! temperature correction\n REAL DT_SUN ! temperature correction\n REAL CT_SHADE ! temperature correction \n REAL DT_SHADE ! temperature correction \n REAL TAIR ! local 2 meter temperature\n REAL DTLEAF_SUN ! Difference between mean canopy leaf and ambient temperature [K]\n REAL DTLEAF_SHADE ! Difference between mean canopy leaf and ambient temperature [K] \n REAL TLEAF_SUN ! Mean canopy leaf temperature [K]\n REAL TLEAF_SHADE ! Mean canopy leaf temperature [K]\n REAL RBW ! Quasi-laminar boundary layer resistance for water vapor [s/m]\n REAL RBH ! Quasi-laminar boundary layer resistance for heat [s/m] \n REAL RH ! Relative humidity [ratio 0-1]\n REAL ES ! Saturation vapor pressure for 2 meter T [Pa] \n REAL SHF ! Soil heat flux [W/m**2] \n REAL DVAP ! vapor pressure deficit [Pa/Pa] \n REAL SSVP ! Slope of the saturation vapor pressure curve over P [1/K] \n REAL GVAP ! canopy water vapor conuctance m/s\n REAL GHT ! canopy heat conductance m/s \n REAL CPAIR ! specific heat of air\n REAL LHV ! Latent heat of vaporization \n REAL CPOT ! potential temperature conversion \n REAL DENS ! Dry air density kg/m**3\n REAL LHSH_DIV ! W/m**2 to K units conversion \n REAL LHSH_COMP ! latent/sensible heat flux component of leaf energy bal\n REAL RK ! k from Geron and Guenther\n REAL CSUBL_SUN ! C sub l\n REAL CSUBL_SHADE ! C sub l\n REAL FRACSUN ! Fraction sun\n REAL FRACSHADE ! Fraction shade \n REAL TLAI ! local LAI\n REAL SOLRAD ! local solar radiation [W/m**2]\n REAL PSFC ! local sfc pressure (mb)\n REAL ZEN ! zenith angle\n REAL PARDB ! PAR direct beam\n REAL PARDIF ! PAR diffuse\n REAL COSZ ! local cosine of zenith angle\n \n REAL, PARAMETER :: CV = 8.0e-6 ! Resistance to soil heat conductance under vegetation [s/m]\n REAL, PARAMETER :: RRAD = 230.0 ! Atmospheric radiative resistance Monteith 1973 [s/m]\n REAL, PARAMETER :: SCW = KVIS / DWAT ! schmidt number for water vapor\n REAL, PARAMETER :: REFLDV = 0.057 ! visible light reflection coefficient from MEGAN 2.10 \n\n CHARACTER( 5 ) :: BTMP ! temporary variable name\n CHARACTER( 256 ) :: MESG ! message buffer\n\n CHARACTER( 16 ) :: PROCNAME = 'BEIS' ! procedure name\n\nC-----------------------------------------------------------------------\n \nC Loop through cells\n DO R = 1, NY\n DO C = 1, NX\n\n TAIR = MET_DATA%TEMP2( C,R ) ! unit in degree K\n COSZ = MET_DATA%COSZEN( C,R ) \n\nC Check min bounds for temperature\nC Note we no longer cap temperature for isoprene\n IF ( TAIR .LT. 200.0 ) THEN\n WRITE( MESG, 94010 ) 'TAIR=', TAIR,\n & 'out of range at (C,R)=', C, R\n CALL M3EXIT( PROCNAME, JDATE, JTIME, MESG, 2 )\n END IF\n\n SOLRAD = MET_DATA%RGRND( C,R )\n\nC Cosine of zenith angle to zenith angle (radians)\n ZEN = ACOS( COSZ )\n PSFC = MET_DATA%PRSFC( C,R )\n \nC atmospheric water vapor variables used for leaf latent heat flux\n IF ( TAIR .LE. STDTEMP ) THEN\n ES = VP0 * EXP( 22.514 - (6.15e3 / TAIR) )\n ELSE\n ES = VP0 * EXP( SVP2 * (TAIR - STDTEMP) /\n & (TAIR - SVP3) )\n END IF\n RH = MET_DATA%RH2( C,R ) / 100.0\n DVAP = ES*(1.0-RH)/PSFC\n SSVP = (SVP2*(STDTEMP-SVP3)*ES/(TAIR-SVP3)**2)/\n & PSFC\n\nC calculate the soil heaf flux under a canopy folowing WRF3.4.1 PX\n SHF = -2.0*PI/SIDAY*(MET_DATA%TEMPG( C,R ) - TAIR)/CV\n\nC calculate the heat and water vapor quasilaminar boundary layer resistance\n RBH = 5.0/MET_DATA%USTAR( C,R )\n RBW = RBH*(SCW/PR)**TWOTHIRDS\n \nC calculate the specific heat of air and latent heat of vaporization\n CPAIR = CPD * (1.0 + 0.84 * MET_DATA%Q2( C,R ))\n LHV = LV0 - 2370.0 * (TAIR - STDTEMP)\n\nC calculate the leaf water vapor and heat conductance \n GHT = 1 / (MET_DATA%RA( C,R ) + RBH ) + 1/RRAD\n GVAP = 1 / (MET_DATA%RA( C,R ) + RBW + MET_DATA%RS( C,R ) * MET_DATA%LAI( C,R ))\n\nC Calculate the potential temperature conversion from the sensible heat flux in WRF 3.4.1\n CPOT = (STDATMPA/PSFC)**(RDGAS/CPAIR)\n\nC Calculate the solar radiation and soil heat flux of the leaf energy budget\n DENS = PSFC /( RDGAS * TAIR )\n LHSH_DIV = DENS * CPOT * CPAIR * (GHT + 1 / (MET_DATA%RA( C,R ) + RBH )) + \n & DENS * LHV * SSVP * GVAP\n\nC calculate the latent heat flux portion of the leaf energy budget \n LHSH_COMP = SHF - LHV * DENS * GVAP * ( ES - RH * ES) / PSFC\n\nC Direct and diffuse photosynthetically active radiation\n CALL GETPARB( SOLRAD, PSFC, COSZ, PARDB, PARDIF )\n\n PAR = PARDB + PARDIF\n\nC Check max/min bounds of PAR and calculate biogenic ISOP\n IF ( PAR .LT. 0.0 .OR. PAR .GT. 2600.0 ) THEN\n \n WRITE( MESG, 94030 ) 'PAR=', PAR,\n & 'out of range at (C,R)=', C, R,\n & 'PARDB = ', PARDB,\n & 'PARDIF = ', PARDIF,\n & 'SOLRAD = ', SOLRAD,\n & 'PSFC = ', PSFC,\n & 'ZEN = ', ZEN\n \n CALL M3MSG2( MESG )\n END IF\n TLAI = MET_DATA%LAI( C,R )\nC Compute ISOP and MBO and METH emissions first\nC Note assumption that these are the first 3 species in LAITYPE and BIOTYPE\nC arrays\n DO I = 1, NLAI\n\n BTMP = LAITYPES( I )\nC Adjust methanol based on T. Pierce recommendation (1-16-03)\n IF ( BTMP == 'METH' ) THEN\n TLAI = MAX( 3.0, TLAI )\n END IF\n\n IF ( TLAI .GT. 10.0 ) THEN\n WRITE( MESG, 94010 ) 'LAI=', TLAI,\n & 'out of range at (C,R)=', C, R\n CALL M3EXIT( PROCNAME, JDATE, JTIME, MESG, 2 )\n END IF\n\nC Initialize csubl\n CSUBL_SUN = 0.0\n CSUBL_SHADE = 0.0 \n\n IF ( PARDB + PARDIF .EQ. 0.0 ) THEN\n BIPOL( C,R,I ) = 0.0\n ELSE\n CALL CLNEW_SUB( ZEN, PARDB, PARDIF, TLAI, LHSH_DIV,\n & LHSH_COMP, DTLEAF_SUN, DTLEAF_SHADE, \n & CSUBL_SUN, CSUBL_SHADE, FRACSUN, FRACSHADE,\n & SOLRAD, REFLDV )\n\n TLEAF_SUN = DTLEAF_SUN + TAIR\n TLEAF_SHADE = DTLEAF_SHADE + TAIR\nC Calculate temperature correction term\n DT_SUN = 28668.514 / TLEAF_SUN\n DT_SHADE = 28668.514 / TLEAF_SHADE \n CT_SUN = EXP( 37.711 - 0.398570815 * DT_SUN ) /\n & ( 1.0 + EXP( 91.301 - DT_SUN ) )\n CT_SHADE = EXP( 37.711 - 0.398570815 * DT_SHADE ) /\n & ( 1.0 + EXP( 91.301 - DT_SHADE ) ) \n BIPOL( C,R,I ) = SEMIS( C,R,I )*( FRACSUN * CT_SUN * CSUBL_SUN + \n & FRACSHADE * CT_SHADE * CSUBL_SHADE )\n END IF\n\n END DO ! end ISOP and MBO calculations loop\nC Only estimate BCOV emissions for vegitation\n IF( TLAI .GT. 0.0 ) THEN\n\n CALL CLNEW_SUB( ZEN, PARDB, PARDIF, TLAI, LHSH_DIV,\n & LHSH_COMP, DTLEAF_SUN, DTLEAF_SHADE, \n & CSUBL_SUN, CSUBL_SHADE, FRACSUN, FRACSHADE,\n & SOLRAD, REFLDV )\n \n TLEAF_SUN = TAIR + DTLEAF_SUN\n TLEAF_SHADE = TAIR + DTLEAF_SHADE\nC Calculate other biogenic emissions except NO\nC Note not speciated here\nC Limit temerature to 315 K for monoterpenes and other VOCs\n TLEAF_SUN = MIN( TLEAF_SUN, 315.0 )\n TLEAF_SHADE = MIN( TLEAF_SHADE, 315.0 ) \n\n CFOVOC = FRACSUN * EXP( 0.09 * ( TLEAF_SUN - 303.0 ) ) + \n & FRACSHADE * EXP( 0.09 * ( TLEAF_SHADE - 303.0 ) ) \n CFSESQT = FRACSUN * EXP( 0.17 * ( TLEAF_SUN - 303.0 ) ) + \n & FRACSHADE * EXP( 0.17 * ( TLEAF_SHADE - 303.0 ) )\n ELSE\nC If LAI = 0 zero out emission factors\n CFOVOC = 0.0\n CFSESQT = 0.0\n END IF\n\n DO I = NLAI + 1, NSEF - 2\n BIPOL( C,R,I ) = SEMIS( C,R,I ) * CFOVOC\n END DO\n\n I = NSEF - 1\n BIPOL( C,R,I ) = SEMIS( C,R,I ) * CFSESQT\n\n END DO ! end loop over columns\n END DO ! end loop over rows\n\n RETURN\n\nC-----------------------------------------------------------------------\n\n94010 FORMAT( 1X, A, F10.2, 1X, A, I3, ',', I3 )\n94020 FORMAT( 1X, A, F10.2, 1X, A, I3, ',', I3, A )\n94030 FORMAT( 1X, A, F10.2, 1X, A, I3, ',', I3, 1X, 5(A, F10.2) )\n\nC-----------------------------------------------------------------------\n CONTAINS\n\nC Function to calculate csubl based on zenith angle, par, and lai\n SUBROUTINE CLNEW_SUB( ZEN, PARDB, PARDIF, TLAI, LHSH_DIV,\n & LHSH_COMP, DTLSUN, DTLSHADE, \n & CSUBL_SUN, CSUBL_SHADE, FRACSUN, FRACSHADE,\n & SOLRAD, REFLDV )\n\n IMPLICIT NONE\n\nC Function arguments:\n REAL, INTENT( IN ) :: PARDB ! direct beam PAR( umol/m2-s)\n REAL, INTENT( IN ) :: PARDIF ! diffuse PAR ( umol/m2-s)\n REAL, INTENT( IN ) :: ZEN ! solar zenith angle (radians)\n REAL, INTENT( IN ) :: TLAI ! leaf area index for grid cell\n REAL, INTENT( IN ) :: LHSH_DIV \n REAL, INTENT( IN ) :: LHSH_COMP\n REAL, INTENT( IN ) :: SOLRAD\n REAL, INTENT( IN ) :: REFLDV\n REAL, INTENT( OUT ) :: CSUBL_SUN\n REAL, INTENT( OUT ) :: CSUBL_SHADE\n REAL, INTENT( OUT ) :: DTLSUN ! Sun leaf temperature [K]\n REAL, INTENT( OUT ) :: DTLSHADE ! Sun leaf temperature [K]\n REAL, INTENT( OUT ) :: FRACSUN ! fraction of leaves that are sunlit\n REAL, INTENT( OUT ) :: FRACSHADE ! fraction of leaves that are shaded\n\nC Parameters:\n REAL, PARAMETER :: ALPHA = 0.8 ! leaf absorptivity\n REAL, PARAMETER :: KD = 0.68 ! extinction coefficient for diffuse radiation\n \n \nC Local variables:\n REAL, SAVE :: SQALPHA ! square root of alpha\n REAL KBE ! extinction coefficient for direct beam\n REAL CANPARSCAT ! exponentially wtd scattered PAR (umol/m2-s)\n REAL CANPARDIF_SUN ! exponentially wtd diffuse PAR at the top of the canopy (umol/m2-s)\n REAL CANPARDIF_SHADE ! exponentially wtd diffuse PAR in the shaded part of the canopy (umol/m2-s)\n REAL PARSHADE ! PAR on shaded leaves (umol/m2-s)\n REAL PARSUN ! PAR on sunlit leaves (umol/m2-s)\n REAL SOLSUN ! RS transmitted to sunlit leaves W/m**2\n REAL SOLSHADE ! RS transmitted to shaded leaves W/m**2\n REAL LAISUN ! LAI that is sunlit\n REAL LAISHADE ! LAI that is shaded\n\n\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n\nC-----------------------------------------------------------------------\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n SQALPHA = SQRT( ALPHA )\n END IF\nC CN98 - eqn 15.4, assume x=1 (can use a table or atributes to change this)\nC Set a ceiling for KBE to prevent a blow up at high zenith angles. This has\nC little impact on the results because direct PAR is low under these conditions\n IF( ZEN .GE. 1.57 ) THEN\n KBE = 627.9\n ELSE\n KBE = 0.5 * SQRT( 1.0 + TAN( ZEN )**2 )\n END IF\n IF ( TLAI .GT. 0.1 ) THEN\n IF ( PARDB + PARDIF .GT. 0.0 ) THEN\n\nC CN98 p-259 Sun and shaded areas of the canopy\n LAISUN = ( 1.0 - EXP( -1.0 * KBE * TLAI ) ) / KBE\n LAISHADE = MAX( TLAI - LAISUN, 0.0 )\n FRACSUN = LAISUN / TLAI \n FRACSHADE = 1.0 - FRACSUN\n\nC CN98 - p. 261 (this is usually small)\n CANPARSCAT = 0.5 * PARDB * ( EXP( -1.0 * SQALPHA * KBE * TLAI )\n & - EXP( -1.0 * KBE * TLAI ) )\n\nC CN98 - p. 261 (assume exponentially wtd avg)\n CANPARDIF_SUN = PARDIF * ( 1.0 - EXP( -1.0 * SQALPHA * KD * LAISUN ) )\n & / ( SQALPHA * KD * LAISUN )\n\n CANPARDIF_SHADE = CANPARDIF_SUN * ( EXP( -1.0 * SQALPHA * KD * LAISUN ) \n & - EXP( -1.0 * SQALPHA * KD * TLAI ) )\n & / ( SQALPHA * KD * (TLAI - LAISUN) )\n\nC CN98 - p. 261 (for next 3 eqns)\nC note that we use the incoming (not absorbed) PAR\n PARSHADE = CANPARDIF_SHADE + CANPARSCAT\n PARSUN = KBE * PARDB + CANPARDIF_SUN + CANPARSCAT\n \nC calculate the leaf temperature following Campbel and Norman 1998 eq 14.6 \nC with the addition of incomming atmospheric long wave irradiation resulting \nC in the cacelation of the long wave radiation budget\n \n SOLSUN = SOLRAD * PARSUN / ( PARSUN + PARSHADE )\n SOLSHADE = SOLRAD * PARSHADE / ( PARSUN + PARSHADE )\n DTLSUN = ((1.0 - REFLDV) * SOLSUN + LHSH_COMP ) / LHSH_DIV\n DTLSHADE = ((1.0 - REFLDV) * SOLSHADE + LHSH_COMP ) / LHSH_DIV\n DTLSUN = MIN(DTLSUN, 10.0) \n DTLSUN = MAX(DTLSUN, -10.0) \n DTLSHADE = MIN(DTLSHADE, 10.0) \n DTLSHADE = MAX(DTLSHADE, -10.0) \n\nC cguen is Guenther's eqn for computing light correction as a function of\nC PAR...fracSun should probably be higher since sunlit leaves tend to be\nC thicker than shaded leaves. But since we need to make crude assumptions\nC regarding leaf orientation (x=1), we will not attempt to fix at the moment.\n\n CSUBL_SUN = CGUEN( PARDB + PARDIF, 0.0, LAISUN, KBE )\nC By definition diffusive radiation, use the diffusive attenuation coefficient and \nC Diffusive par at the bottom of the sunlit layer\n CSUBL_SHADE = CGUEN( CANPARDIF_SUN, LAISUN, TLAI, KD )\n \n ELSE ! to prevent divide by 0 when there is no solar rad\n CSUBL_SUN = 0.0\n CSUBL_SHADE = 0.0\n FRACSUN = 0.2\n FRACSHADE = 0.8\n DTLSUN = LHSH_COMP / LHSH_DIV\n DTLSHADE = LHSH_COMP / LHSH_DIV\n DTLSUN = MIN(DTLSUN, 10.0) \n DTLSUN = MAX(DTLSUN, -10.0) \n DTLSHADE = MIN(DTLSHADE, 10.0) \n DTLSHADE = MAX(DTLSHADE, -10.0) \n END IF \n \n ELSE \n CSUBL_SUN = CGUEN( PARDB + PARDIF, 0.0, TLAI, KBE )\n CSUBL_SHADE = 0.0\n FRACSUN = 1.0\n FRACSHADE = 0.0\n DTLSUN = ((1.0 - REFLDV) * SOLRAD + LHSH_COMP ) / LHSH_DIV\n DTLSHADE = 0.0\n DTLSUN = MIN(DTLSUN, 10.0) \n DTLSUN = MAX(DTLSUN, -10.0) \n END IF\n\n END SUBROUTINE CLNEW_SUB\n\nC-----------------------------------------------------------------------\n\nC Function to calculate Guenther's equation for computing light correction\n REAL FUNCTION CGUEN( PAR, LAI1, LAI2, KBE )\n\nC 11/14 J. Bash - Updated to Niinemets et al. 2010a doi:10.1029/2010JG001436 \nC Big leaf model which updates Guenther et al. 1993 doi:10.1029/93JD00527 for \nC in-canopy gradients\n\n IMPLICIT NONE\n\nC Function arguments:\n REAL, INTENT( IN ) :: PAR\n REAL, INTENT( IN ) :: LAI1 ! top of the layer LAI\n REAL, INTENT( IN ) :: LAI2 ! bottom of the layer LAI\n REAL, INTENT( IN ) :: KBE ! light extenction coefficient\n\nC Parameters: updated to Niinemets et al. 2010b https://doi.org/10.5194/bg-7-1809-2010 to be \nC consistent with Niinemets et al. 2010a\n REAL, PARAMETER :: ALPHA = 0.0015 ! Mean of reported Quercus rubra and Liquidambar styraciflua\n REAL, PARAMETER :: CL = 1.2716 ! Calculated according Niinemets et al. 2010b to return 1 at\n ! standard conditions ( PAR=1000, KBE = 0.68 )\n\nC-----------------------------------------------------------------------\n IF ( PAR .LE. 0.01 ) THEN\n CGUEN = 0.0\n ELSE\nC Niinemets et al. 2010 equation A9 integrated from LAI1 to LAI2\n CGUEN = CL * ( SQRT(1+ALPHA**2 * PAR**2 * EXP(-2*LAI1*KBE)) -\n & SQRT(1+ALPHA**2 * PAR**2 * EXP(-2*LAI2*KBE)) ) /\n & ( ALPHA * KBE * PAR )\n END IF\n\n RETURN\n\n END FUNCTION CGUEN\n\nC-----------------------------------------------------------------------\n\n END SUBROUTINE BEIS\n\n" }, { "path": "CCTM/src/biog/beis4/checkmem.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/CCTM/src/biog/beis3/checkmem.f,v 1.3 2011/10/21 16:10:17 yoj Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE CHECKMEM( MSTATUS, AVAR, CALLER )\n \nC-----------------------------------------------------------------------\n \nC Description:\nC Reports an error and exits if memory status flag is non-zero.\n \nC Preconditions:\n \nC Subroutines and Functions Called:\n \nC Revision History:\nC Adapted 10/98 by M Houyoux\nC 02/11: S.Roselle-Removed deprecated TRIMLEN\n\nC-----------------------------------------------------------------------\nC Modified from:\n \nC Project Title: Sparse Matrix Operator Kernel Emissions (SMOKE) Modeling\nC System\nC File: @(#)$Id: checkmem.f,v 1.3 2011/10/21 16:10:17 yoj Exp $\nC COPYRIGHT (C) 1999, MCNC--North Carolina Supercomputing Center\nC All Rights Reserved\nC See file COPYRIGHT for conditions of use.\nC Environmental Programs Group\nC MCNC--North Carolina Supercomputing Center\nC P.O. Box 12889\nC Research Triangle Park, NC 27709-2889\nC env_progs@mcnc.org\nC Pathname: $Source: /project/yoj/arc/CCTM/src/biog/beis3/checkmem.f,v $\nC Last updated: $Date: 2011/10/21 16:10:17 $ \n \nC-----------------------------------------------------------------------\n#ifdef mpas\n use utilio_defn\n#endif\n \n IMPLICIT NONE\n\nC Arguments:\n\n INTEGER MSTATUS ! ALLOCATE function exit status\n CHARACTER( * ) :: AVAR ! Variable name of ALLOCATE statement\n CHARACTER( * ) :: CALLER ! Name of calling procedure\n\nC External Functions:\n\nC Local Variables;\n INTEGER L1\n INTEGER L2\n CHARACTER( 256 ) :: MESG = ' '\n\nC-----------------------------------------------------------------------\n\nC Abort if memory status is non-zero\n\n IF ( MSTATUS .GT. 0 ) THEN \n L1 = LEN_TRIM( AVAR )\n L2 = LEN_TRIM( CALLER )\n MESG = 'Failure allocating memory for \"' // AVAR( 1:L1 )\n & // '\" variable'\n CALL M3EXIT( CALLER( 1:L2 ), 0, 0, MESG, 2 )\n END IF\n\n RETURN\n\n END\n\n" }, { "path": "CCTM/src/biog/beis4/chkgrid.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/CCTM/src/biog/beis3/chkgrid.F,v 1.5 2011/10/21 16:10:17 yoj Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n FUNCTION CHKGRID( FNAME ) RESULT( SUCCESS )\n\nC-----------------------------------------------------------------------\n \nC Description:\nC Check the grid information and against the first file referenced, and\nC update for next check\n \nC Preconditions:\nC FDESC3 common already loaded from call to DESC3 before calling this routine\n \nC Subroutines and Functions Called:\n \nC Revision History:\nC Oct 2007 Jeff: Make a function and simplify for inline BEIS in CMAQ\nC Feb 2011 S.Roselle: Replaced I/O API include files with UTILIO_DEFN\nC 10 May 2011 D.Wong: incorporated twoway model implementation\n \nC-----------------------------------------------------------------------\nC Modified from:\n\nC Project Title: EDSS Tools Library\nC File: @(#)$Id: chkgrid.F,v 1.5 2011/10/21 16:10:17 yoj Exp $\nC COPYRIGHT (C) 2004, Environmental Modeling for Policy Development\nC All Rights Reserved\nC Carolina Environmental Program\nC University of North Carolina at Chapel Hill\nC 137 E. Franklin St., CB# 6116\nC Chapel Hill, NC 27599-6116\nC smoke@unc.edu\nC Pathname: $Source: /project/yoj/arc/CCTM/src/biog/beis3/chkgrid.F,v $\nC Last updated: $Date: 2011/10/21 16:10:17 $\nC-----------------------------------------------------------------------\n\n USE UTILIO_DEFN\n\n IMPLICIT NONE\n\nC Includes:\n\nC Arguments:\n CHARACTER( * ), INTENT( IN ) :: FNAME ! File name\n LOGICAL :: SUCCESS ! true: comparison succeeded\n\nC External Functions:\n\nC Parameters:\n CHARACTER( 10 ), PARAMETER :: BLANK10 = ' '\n\nC Local variables:\n CHARACTER( 16 ), SAVE :: GRDNM = ' ' ! grid nam\n INTEGER, SAVE :: GDTYP = -1 ! i/o api grid type code\n INTEGER, SAVE :: NCOLS = 0 ! number of columns in grid\n INTEGER, SAVE :: NROWS = 0 ! number of rows in grid\n REAL( 8 ), SAVE :: XORIG = 0.D0 ! x-origin of grid\n REAL( 8 ), SAVE :: YORIG = 0.D0 ! y-origin of grid\n REAL( 8 ), SAVE :: XCENT = 0.D0 ! x-center of projection\n REAL( 8 ), SAVE :: YCENT = 0.D0 ! y-center of projection\n REAL( 8 ), SAVE :: XCELL = 0.D0 ! x-dim of cells\n REAL( 8 ), SAVE :: YCELL = 0.D0 ! y-dim of cells\n REAL( 8 ), SAVE :: P_ALP = 0.D0 ! projection alpha\n REAL( 8 ), SAVE :: P_BET = 0.D0 ! projection beta\n REAL( 8 ), SAVE :: P_GAM = 0.D0 ! projection gamma\n LOGICAL, SAVE :: OFFLAG = .FALSE. ! true: subgrid offset has been set\n INTEGER, SAVE :: XOFF = 0 ! subgrid offset (x-sub = x - xoff)\n INTEGER, SAVE :: YOFF = 0 ! subgrid offset\n INTEGER, SAVE :: XOFF_A = 0 ! tmp subgrid offset (x-sub = x - xoff)\n INTEGER, SAVE :: YOFF_A = 0 ! tmp subgrid offset\n! INTEGER L ! length of file description\n INTEGER NC ! test number of columns\n INTEGER NR ! test number of rows\n INTEGER XO ! test x-offset \n INTEGER YO ! test y-offset \n\n REAL( 8 ) :: CHK_X ! test val for checking subgrid even with grid\n REAL( 8 ) :: CHK_Y ! test val for checking subgrid even with grid\n\n LOGICAL, SAVE :: GINIT = .FALSE. ! true: grid settings have been initialized\n\n CHARACTER( 12 ) :: FILETYPE = 'gridded file'\n CHARACTER( 300 ) :: MESG ! message buffer\n\n CHARACTER( 16 ) :: PNAME = 'CHKGRID' ! procedure name\n\nC-----------------------------------------------------------------------\n\n SUCCESS = .TRUE.\n\n#ifndef mpas\n NC = NCOLS3D\n NR = NROWS3D\n\nC If grid information has already been initialized, then compare existing to this file\n IF ( GINIT ) THEN\n\n#ifndef twoway\nC Check settings that must be consistent for exact grid match\n IF ( NC .NE. NCOLS .OR.\n & NR .NE. NROWS .OR.\n & DBLERR( XORIG3D, XORIG ) .OR.\n & DBLERR( YORIG3D, YORIG ) ) THEN\n SUCCESS = .TRUE.\n MESG = 'WARNING: Columns, rows, x-origin, or ' //\n & 'y-origin for ' // FNAME // ' in ' //\n & CRLF() // BLANK10 // FILETYPE // \n & ' are inconsistent with GRID NAME: ' // \n & TRIM( GRDNM )\n CALL M3MSG2( MESG ) \n END IF\n#endif\n\n XOFF = 0\n YOFF = 0\n\nC Check settings that must be consistent for grids and subgrids\n IF ( GDTYP3D .NE. GDTYP .OR.\n & DBLERR( XCELL3D, XCELL ) .OR.\n & DBLERR( YCELL3D, YCELL ) .OR.\n & DBLERR( XCENT3D, XCENT ) .OR.\n & DBLERR( YCENT3D, YCENT ) .OR.\n & DBLERR( P_ALP3D, P_ALP ) .OR.\n & DBLERR( P_BET3D, P_BET ) .OR.\n & DBLERR( P_GAM3D, P_GAM ) ) THEN\n SUCCESS = .FALSE.\n MESG = 'ERROR: Grid type, cell sizes, or ' //\n & 'grid projection for ' // FNAME // ' in '//\n & CRLF() // BLANK10 // FILETYPE // \n & ' are inconsistent with with GRID NAME: ' \n & // TRIM( GRDNM )\n CALL M3MSG2( MESG ) \n END IF\n\nC Ensure that origins are compatible with each other by making sure they line up\nC based on the cell sizes\n CHK_X = ( XORIG3D - XORIG ) / XCELL\n CHK_X = CHK_X - INT( CHK_X )\n CHK_Y = ( YORIG3D - YORIG ) / YCELL\n CHK_Y = CHK_Y - INT( CHK_Y )\n IF ( DBLERR( CHK_X, 0.D0 ) .OR.\n & DBLERR( CHK_Y, 0.D0 ) ) THEN\n SUCCESS = .FALSE.\n MESG = 'ERROR: Grid origins not compatible ' //\n & 'between ' // FNAME // ' in ' // \n & CRLF() // BLANK10 // FILETYPE // \n & ' and set by GRID NAME: ' // TRIM( GRDNM )\n CALL M3MSG2( MESG ) \n END IF\n\nC If offset has been set, then check to ensure its the same\n IF ( OFFLAG ) THEN\n\nC If file has different origin from the subgrid...\n IF ( XORIG3D .NE. XORIG .OR. \n & YORIG3D .NE. YORIG ) THEN\n\n XO = INT( ( XORIG3D - XORIG ) / XCELL )\n YO = INT( ( YORIG3D - YORIG ) / YCELL )\n IF ( XOFF .NE. XO .OR.\n & YOFF .NE. YO ) THEN\n SUCCESS = .FALSE.\n MESG = 'WARNING: Subgrid offset for ' //\n & FNAME // ' in ' // CRLF() // BLANK10// \n & FILETYPE // 'is ' //\n & 'inconsistent with with GRID NAME: ' \n & // TRIM( GRDNM )\n CALL M3MSG2( MESG ) \n END IF\n\nC If file has same origin as subgrid\n ELSE\n\n\n\nC Check that current subgrid is the same as the previous subgrid\n IF ( NC .NE. NCOLS .OR.\n & NR .NE. NROWS .OR.\n & DBLERR( XORIG3D, XORIG ) .OR.\n & DBLERR( YORIG3D, YORIG ) ) THEN\n SUCCESS = .FALSE.\n MESG = 'WARNING: Columns, rows, x-origin, ' //\n & 'or y-origin for ' // FNAME // ' in ' \n & // CRLF() // BLANK10 // FILETYPE // \n & 'are inconsistent with values from ' // \n & TRIM( GRDNM)\n CALL M3MSG2( MESG ) \n END IF\n\n END IF\n\nC If offset for final subgrid hasn't been set yet...\n ELSE\n\nC Compute possible offset from upper right hand corner, and if there is one, set flag\n!? XOFF_A = INT( ( XORIG + NCOLS * XCELL )\n!? & - ( XORIG3D + NC * XCELL3D ) ) / XCELL\n!? YOFF_A = INT( ( YORIG + NROWS * YCELL )\n!? & - ( YORIG3D + NR * YCELL3D ) ) / YCELL\n\nC Compute possible offset from origin, and if so, set flag\n XOFF_A = INT( ( XORIG3D - XORIG ) / XCELL )\n YOFF_A = INT( ( YORIG3D - YORIG ) / YCELL )\n \nC Reset origin and number of cells to latest grid\n GRDNM = GDNAM3D\n\nC Store grid and offset parameters\n XOFF = XOFF_A\n YOFF = YOFF_A\n IF ( XOFF .NE. 0 .OR. YOFF .NE. 0 ) OFFLAG = .TRUE.\n XORIG = XORIG3D\n YORIG = YORIG3D\n NCOLS = NC\n NROWS = NR\n\n END IF\n\nC Store initial grid information\n ELSE\n\n GINIT = .TRUE.\n GRDNM = GDNAM3D\n GDTYP = GDTYP3D\n P_ALP = P_ALP3D\n P_BET = P_BET3D\n P_GAM = P_GAM3D\n XCENT = XCENT3D\n YCENT = YCENT3D\n XORIG = XORIG3D\n YORIG = YORIG3D\n XCELL = XCELL3D\n YCELL = YCELL3D\n NCOLS = NC\n NROWS = NR\n\n MESG = 'NOTE: Grid settings initialized using ' // \n & TRIM( FNAME ) // ' in ' // CRLF() // BLANK10 // \n & FILETYPE // ' GRID NAME: ' // TRIM( GRDNM )\n\n CALL M3MSG2( MESG )\n\n END IF\n\n IF ( .NOT. SUCCESS ) THEN\n\n MESG = 'ERROR: Grid parameters for ' // FNAME // ' in ' //\n & CRLF() // BLANK10 // FILETYPE //\n & ' are inconsistent with GRID NAME: ' // TRIM( GRDNM )\n CALL M3MSG2( MESG )\n\n END IF\n#endif\n\n RETURN\n\n CONTAINS\n\n LOGICAL FUNCTION DBLERR( PD, QD )\n\n IMPLICIT NONE\n\n REAL( 8 ), INTENT( IN ) :: PD\n REAL( 8 ), INTENT( IN ) :: QD\n\n DBLERR = ( ( PD - QD )*( PD - QD ) .GT. 1.0D-12 * ( PD*PD + QD*QD + 1.0D-5 ) )\n\n RETURN\n\n END FUNCTION DBLERR\n\n END\n\n" }, { "path": "CCTM/src/biog/beis4/czangle.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/CCTM/src/biog/beis3/czangle.F,v 1.4 2012/03/28 16:05:37 yoj Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE CZANGLE( JDATE, JTIME, NX, NY )\n\nC----------------------------------------------------------------------\nC Description:\nC Computes cosine of zenith angle for routine HRBIO()\nC The zenith angle is the angle measured from the zenith to the line of\nC sight to the sun\n \nC Preconditions:\nC JDATE:JTIME represented in GMT\n \nC Subroutines and Functions called: none\n \nC Revision History:\nC Revision History:\nC Prototype 12/95 by Carlie J Coats, Jr., adapted from UAM-BEIS\nC subroutines SOLAR() and ZANGLE() for SMOKE-BEIS2: produces\nC COS( ZENITH )\nC\nC Revised 8/96 by SL and CJC: algorithm change to match UAM BEIS2\nC algorithm\nC\nC 11/99: by Jeff Vukovich taken from v4.2 SMOKE prototype\nC 10/06: yoj\nC 02/11: Shawn Roselle: Replaced I/O API include files with UTILIO_DEFN\nC 03/12: J. Bash: Bound COSZEN against numerical rounding errors\nC 11/14: J. Bash: Lat and Lon now stored in ASX_DATA_MOD to reduce redundant\nC memory allocation and reads from file.\nC 07 Nov 14 J.Bash: Updated for the ASX_DATA_MOD shared data module. \nC 07 May 18 D. Schwede: Updated to have coszen defined in ASX_DATA_MOD\nC 24 Jul 18 C. Nolte: removed call to INIT_MET that was causing conflict.\nC Met should already be initialized by this point.\nC----------------------------------------------------------------------\nC Modified from:\n\nC Project Title: Sparse Matrix Operator Kernel Emissions (SMOKE) Modeling System\nC File: @(#)$Id: czangle.F,v 1.4 2012/03/28 16:05:37 yoj Exp $\nC COPYRIGHT (C) 2004, Environmental Modeling for Policy Development\nC All Rights Reserved\nC Carolina Environmental Program\nC University of North Carolina at Chapel Hill\nC 137 E. Franklin St., CB# 6116\nC Chapel Hill, NC 27599-6116\nC smoke@unc.edu\nC Pathname: $Source: /project/yoj/arc/CCTM/src/biog/beis3/czangle.F,v $\nC Last updated: $Date: 2012/03/28 16:05:37 $ \nC----------------------------------------------------------------------\n\n USE UTILIO_DEFN\n USE ASX_DATA_MOD, Only: Grid_Data, Met_Data\n\n IMPLICIT NONE\n\nC Includes:\n\n INCLUDE SUBST_CONST ! constants\n\nC Arguments:\n\n INTEGER, INTENT( IN ) :: JDATE ! current simulation date (YYYYDDD)\n INTEGER, INTENT( IN ) :: JTIME ! current simulation time (HHMMSS)\n INTEGER, INTENT( IN ) :: NX ! no. columns\n INTEGER, INTENT( IN ) :: NY ! no. rows\n\n\nC Parameters:\n \n REAL, PARAMETER ::\n & AA = 0.15,\n & BB = 3.885,\n & CC = - 1.253,\n & SIGA = 279.9348,\n & SDEC = 0.39784984, ! SIN (23^26'37.8\") the declination angle\n & D60 = 1.0 / 60.0,\n & D15 = 1.0 / 15.0,\n & D24 = 1.0 / 24.0,\n & ROTDAY = 360.0 / 365.242 ! fraction of a complete rotation per day\n\nC Local variables:\n\n INTEGER IOS, R, C\n REAL SLA, GMT, TK, DAD, DF,\n & DESIN, DECOS, DESIN2, DECOS2, SIG, DECSIN, DECCOS,\n & EQT, TST, HRANGL\n \n REAL, ALLOCATABLE, SAVE :: SINLAT( :,: )\n REAL, ALLOCATABLE, SAVE :: COSLAT( :,: ) \n\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n CHARACTER( 16 ) :: PNAME = 'CZANGLE' ! procedure name\n\nC----------------------------------------------------------------------\n\nC compute sine of lat and lon first time through\n\n IF ( FIRSTIME ) THEN\n\n FIRSTIME = .FALSE.\n\n ALLOCATE( SINLAT( NX,NY ), STAT=IOS )\n CALL CHECKMEM( IOS, 'SINLAT', PNAME )\n\n ALLOCATE( COSLAT( NX,NY ), STAT=IOS )\n CALL CHECKMEM( IOS, 'COSLAT', PNAME )\n\n DO R = 1, NY\n DO C = 1, NX\n SLA = PI180 * Grid_Data%LAT( C,R )\n SINLAT( C,R ) = SIN( SLA )\n COSLAT( C,R ) = COS( SLA )\n END DO\n END DO\n\n END IF ! if firstime\n\nC Convert time to hours and add time-zone offset\n \n GMT = FLOAT( JTIME / 10000 ) ! hr part\n & + D60 * ( FLOAT( MOD( JTIME / 100 , 100 ) ) ! min part\n & + D60 * FLOAT( MOD( JTIME, 100 ) ) ) ! sec part\n DAD = GMT * D24 + MOD( JDATE, 1000 )\n DF = ROTDAY * PI180 * DAD ! The terrestrial-rotation angle\n \n DESIN = SIN( DF ) ! SINE of this angle\n DECOS = COS( DF ) ! COSINE of this angle\n \n DESIN2 = SIN( DF + DF ) ! SINE of twice the angle\n DECOS2 = COS( DF + DF ) ! COSINE of twice the angle\n \n SIG = DF\n & + PI180 * ( SIGA\n & + 1.914827 * DESIN - 0.079525 * DECOS\n & + 0.019938 * DESIN2 - 0.00162 * DECOS2 )\n \nC The sine and cosine of the declination\n \n DECSIN = SDEC * SIN( SIG )\n DECCOS = SQRT( 1.0 - DECSIN * DECSIN )\n \nC The equation of time adjustment\n \n EQT = 0.123470 * DESIN - 0.004289 * DECOS\n & + 0.153809 * DESIN2 + 0.060783 * DECOS2\n\n DO R = 1, NY\n DO C = 1, NX\n\n TK = GMT + Grid_Data%LON( C,R ) * D15 ! Distance in hours from LON=0\n TST = TK - EQT ! true solar time\n HRANGL = PI180 * 15.0 * ABS( TST - 12.0 ) ! hour angle\n \nC Compute the cosine of zenith angle (sine of the solar elevation)\n \n MET_DATA%COSZEN( C,R ) = DECSIN * SINLAT( C,R )\n & + DECCOS * COSLAT( C,R ) * COS( HRANGL )\n\nC Bound against numerical rounding errors\n\n MET_DATA%COSZEN( C,R ) = MIN( MAX( MET_DATA%COSZEN( C,R ), -1.0 ), 1.0 )\n \n END DO\n END DO\n\n RETURN\n END\n" }, { "path": "CCTM/src/biog/beis4/getparb.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/CCTM/src/biog/beis3/getparb.f,v 1.2 2011/10/21 16:10:18 yoj Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE GETPARB( RSOLAR, PRES, COSZ, PARDB, PARDIF )\n\nC-----------------------------------------------------------------------\nC Description:\nC Compute direct and diffuse photosynthetically active radiation (PAR).\nC Based on code from Bart Brashers (10/2000), which was based on\nC code from Weiss and Norman (1985). \n \nC Preconditions:\nC Solar radiation (W/m2) and pressure (mb)\n \nC Subroutines and Functions Called:\n \nC Revision History:\nC 3/01 Prototype by JMV\nC 10/17 J.Young: rename, optimize\nC-----------------------------------------------------------------------\nC Modified from:\n\nC Project Title: Sparse Matrix Operator Kernel Emissions (SMOKE) Modeling System\nC File: @(#)$Id: getparb.f,v 1.2 2011/10/21 16:10:18 yoj Exp $\nC COPYRIGHT (C) 2004, Environmental Modeling for Policy Development\nC All Rights Reserved\nC Carolina Environmental Program\nC University of North Carolina at Chapel Hill\nC 137 E. Franklin St., CB# 6116\nC Chapel Hill, NC 27599-6116\nC smoke@unc.edu\nC Pathname: $Source: /project/yoj/arc/CCTM/src/biog/beis3/getparb.f,v $\nC Last updated: $Date: 2011/10/21 16:10:18 $ \nC-----------------------------------------------------------------------\n\n IMPLICIT NONE\n\nC Arguments:\n REAL, INTENT ( IN ) :: RSOLAR ! modeled or observed total radiation [W/m2]\n REAL, INTENT ( IN ) :: PRES ! atmospheric pressure [mb]\n REAL, INTENT ( IN ) :: COSZ ! cosine of solar zenith angle\n REAL, INTENT( OUT ) :: PARDB ! direct beam PAR [umol/m2-s]\n REAL, INTENT( OUT ) :: PARDIF ! diffuse PAR [umol/m2-s]\n\nC Parameters:\n REAL, PARAMETER :: WATT2UMOL = 4.6 ! convert W/m^2 to umol/m^2-s\n\nC Local Variables:\n REAL RATIO ! transmission fraction for total radiation\n REAL OT ! optical thickness\nC REAL RDVIS ! possible direct visible beam [(W/m^2]\nC REAL RFVIS ! possible visible diffuse [(W/m^2]\n REAL WA ! water absorption in near-IR [(W/m^2]\nC REAL RDIR ! direct beam in near-IR [(W/m^2]\nC REAL RFIR ! diffuse near-IR [(W/m^2]\nC REAL RVT ! total possible visible radiation [(W/m^2]\nC REAL RIRT ! total possible near-IR radiation [(W/m^2]\nC REAL FVIS ! fraction of visible to total \nC REAL FVB ! fraction of visible that is direct beam\nC REAL FVD ! fraction of visible that is diffuse\n REAL FAC ! direct beam factor / combination factor\n\n REAL A, B, C, DEN, RW ! replacement composite variables\n\n CHARACTER( 16 ) :: PNAME = 'GETPAR' ! procedure name\n CHARACTER( 256 ) :: MESG = ' '\n\nC-----------------------------------------------------------------------\n\nC Original implementation ............................\n\nC (ZEN was originally an argument, but replaced by COS(ZEN) = COSZ)\n\nC Assume that PAR = 0 if zenith angle is greater than 87 degrees (1.51844 radians)\nC or if solar radiation is zero\nC IF ( ZEN .GE. 1.51844 .OR. RSOLAR .LE. 0.0 ) THEN\nC PARDB = 0.0\nC PARDIF = 0.0\nC RETURN\nC END IF\n\nC Compute clear sky (aka potential) radiation terms\nC OT = PRES / 1013.25 / COSZ ! Atmospheric Optical thickness\nC RDVIS = 600.0 * EXP( -0.185 * OT ) * COSZ ! Direct visible beam, eqn (1)\nC RFVIS = 0.42 * ( 600.0 - RDVIS ) * COSZ ! Visible Diffuse, eqn (3)\nC WA = 1320.0 * 0.077 * ( 2.0 * OT ) ** 0.3 ! water absorption in near-IR, eqn (6)\nC RDIR = ( 720.0 * EXP( -0.06 * OT ) - WA ) * COSZ ! Direct beam near-IR, eqn (4)\nC RFIR = 0.65 * ( 720.0 - WA - RDIR ) * COSZ ! Diffuse near-IR, eqn (5)\n\nC RVT = RDVIS + RFVIS ! Total visible radiation, eqn (9)\nC RIRT = RDIR + RFIR ! Total near-IR radiation, eqn (10) \nC FVIS = RVT / ( RIRT + RVT ) ! Fraction of visible to total radiation, eqn 7\nC RATIO = RSOLAR / ( RIRT + RVT ) ! Ratio of \"actual\" to clear sky solar radiation\n\nC Compute fraction of visible that is direct beam\nC IF ( RATIO .GE. 0.89 ) THEN\nC FVB = RDVIS / RVT * 0.941124\nC ELSE IF ( RATIO .LE. 0.21 ) THEN\nC FVB = RDVIS / RVT * 9.55E-3\nC ELSE\nC FVB = RDVIS / RVT * ( 1.0 - ( ( 0.9 - RATIO ) / 0.7 ) ** 0.666667 )\nC END IF\nC FVD = 1.0 - FVB\n\nC Compute PAR (direct beam and diffuse) in umol/m2-sec\nC PARDB = RSOLAR * FVIS * FVB * WATT2UMOL\nC PARDIF = RSOLAR * FVIS * FVD * WATT2UMOL \n\nC New implementation .................................\n\n IF ( COSZ .LE. 0.052336 .OR. RSOLAR .LE. 0.0 ) THEN\n PARDB = 0.0\n PARDIF = 0.0\n RETURN\n END IF\n\n OT = PRES / 101325.0 / COSZ ! PRES in Pa\n A = 600.0 * EXP( -0.185 * OT )\n WA = 125.1335182 * ( OT ) ** 0.3\n B = 720.0 * EXP( -0.06 * OT ) - WA\n C = ( 1.0 - 0.42 * COSZ ) * A\n DEN = 720.0 + C - 0.65 * WA + ( 1.0 - 0.65 * COSZ ) * B\n RATIO = RSOLAR / DEN / COSZ\n IF ( RATIO .GE. 0.89 ) THEN\n FAC = 0.941124\n ELSE IF ( RATIO .LE. 0.21 ) THEN\n FAC = 9.55E-3\n ELSE\n FAC = 1.0 - ( 1.42857143 * ( 0.9 - RATIO ) ) ** 0.666667\n END IF\n RW = RATIO * WATT2UMOL * COSZ\n PARDB = RW * FAC * A\n PARDIF = RW * ( 252.0 + C ) - PARDB\n\n RETURN \n\n END SUBROUTINE GETPARB\n" }, { "path": "CCTM/src/biog/beis4/gspro_biogenics.txt", "content": "# Created 19 Mar 2009 by Chris Allen.\n# Revised April 2017 for compatibility with CMAQv5.2\n# This GSPRO component contains only biogenic profiles. The profiles were originally in\n# the EMF dataset \"gspro_static_cmaq\", version 8 (16mar2009). They were moved to a \n# new dataset so that biogenic-only species do not appear in the model-ready files\n# for non-biogenic sectors that have pre-speciated VOC in the inventory (specifically,\n# 2005ck_05b othpt).\n# This version is based on BEIS 3.6.1\n#\n# Definition of Fields:\n# Mechanism Code \n# Maps to BIOG_SPRO in the CMAQ run-script\n# Maps to SPNPRF inside CMAQ\n# Options -\n# B10C5: CB05-based mechanisms\n# B10C6: CB6r3-based mechanisms: ae6\n# B10C6AE7: CB6r[3,5] - ae7 based mechanism\n# 1/8/2018 HOTP modified to split out APIN and not include in TERP \n# B10RD: RACM2-based mechanisms\n# Xiaoyang Chen at Northeastern University notified that CMAQ is not generating any monoterpene \n# emissions when in-line option is enabled with RACM2\n# Replaced \"B10RD\" with \"B3V10\" for RACM2 (06/08/2021)\n# B10SP: SAPRC07t-based mechanisms (aero6 and aero7 compatible)\n# CRACMM1: CRACMM1-based biogenic mapping (added 9/2021, dev by K.S. and H.O.T.P)\n# valid for CRACMM1_AQ and CRACMM1AMORE_AQ\n# POLNAM\n# Name of Specific VOC emitted by \n# biogenic source;\n# SPECNM\n# CMAQ Biogenic Emissions species name;\n# SPLTFAC (mol/mol)\n# Conversion factor from moles of BEIS VOC\n# species to moles of CMAQ emissions species;\n# SDIV (g/mol)\n# Mass of carbon atoms in the BEIS molecule;\n# SMFAC (dimensionless)\n# BEIS VOC Molecular weight divided by the \n# mass of the carbon atoms in the molecule;\n#\nB10C5;\"ACET\";\"PAR\";3.0;36.0;1.6111\nB10C5;\"ACTAC\";\"AACD\";1.0;24.0;2.5\nB10C5;\"ACTAL\";\"ALD2\";1.0;24.0;1.8333\nB10C5;\"ACTAL\";\"ALD2_PRIMARY\";1.0;24.0;1.8333\nB10C5;\"APIN\";\"TERP\";1.0;120.0;1.1333\nB10C5;\"ATERP\";\"TERP\";1.0;120.0;1.1333\nB10C5;\"ATHU\";\"TERP\";1.0;120.0;1.1333\nB10C5;\"BPHE\";\"TERP\";1.0;120.0;1.1333\nB10C5;\"BPIN\";\"TERP\";1.0;120.0;1.1333\nB10C5;\"BUTE\";\"PAR\";2.0;48.0;0.5833\nB10C5;\"BUTE\";\"OLE\";1.0;48.0;0.5833\nB10C5;\"BUTO\";\"PAR\";2.0;48.0;0.7292\nB10C5;\"BUTO\";\"OLE\";1.0;48.0;0.7292\nB10C5;\"CAMPH\";\"TERP\";1.0;120.0;1.1333\nB10C5;\"CO\";\"CO\";1.0;12.0;2.3333\nB10C5;\"D3CAR\";\"TERP\";1.0;120.0;1.1333\nB10C5;\"DLIM\";\"TERP\";1.0;120.0;1.1333\nB10C5;\"ETHA\";\"ETHA\";1.0;24.0;1.25\nB10C5;\"ETHE\";\"ETH\";1.0;24.0;1.1667\nB10C5;\"ETHO\";\"ETOH\";1.0;24.0;1.9167\nB10C5;\"FORAC\";\"FACD\";1.0;12.0;3.8333\nB10C5;\"FORM\";\"FORM\";1.0;12.0;2.5\nB10C5;\"FORM\";\"FORM_PRIMARY\";1.0;12.0;2.5\nB10C5;\"GTERP\";\"TERP\";1.0;120.0;1.1333\nB10C5;\"HEXA\";\"ALDX\";1.0;72.0;0.4537\nB10C5;\"HEXA\";\"PAR\";4.0;72.0;0.9074\nB10C5;\"HEXE\";\"IOLE\";1.0;72.0;0.9259\nB10C5;\"HEXE\";\"PAR\";2.0;72.0;0.463\nB10C5;\"HEXY\";\"NR\";1.0;96.0;0.1849\nB10C5;\"HEXY\";\"PAR\";3.0;96.0;0.5547\nB10C5;\"HEXY\";\"IOLE\";1.0;96.0;0.7396\nB10C5;\"ISOP\";\"ISOP\";1.0;60.0;1.1333\nB10C5;\"MBO\";\"OLE\";1.0;60.0;0.5733\nB10C5;\"MBO\";\"PAR\";3.0;60.0;0.86\nB10C5;\"METH\";\"MEOH\";1.0;12.0;2.6667\nB10C5;\"MYRC\";\"TERP\";1.0;120.0;1.1333\nB10C5;\"NO\";\"NO\";1.0;14.0;2.1429\nB10C5;\"OCIM\";\"TERP\";1.0;120.0;1.1333\nB10C5;\"ORVOC\";\"OLE\";1.0;120.0;0.2267\nB10C5;\"ORVOC\";\"PAR\";8.0;120.0;0.9067\nB10C5;\"PCYM\";\"TERP\";1.0;120.0;1.1333\nB10C5;\"PROPE\";\"PAR\";1.0;36.0;0.3889\nB10C5;\"PROPE\";\"OLE\";1.0;36.0;0.7778\nB10C5;\"SABI\";\"TERP\";1.0;120.0;1.1333\nB10C5;\"SESQT\";\"SESQ\";1.0;180.0;1.1333\nB10C5;\"TRPO\";\"TERP\";1.0;120.0;1.1333\nB3V10;\"ISOP\";\"ISO\";1.0;60.0;1.1333\nB3V10;\"NO\";\"NO\";1.0;14;2.1429\nB3V10;\"MBO\";\"OLI\";1.0;60;1.4333\nB3V10;\"APIN\";\"API\";1.0;120;1.1333\nB3V10;\"BPIN\";\"API\";1.0;120;1.1333\nB3V10;\"D3CAR\";\"API\";1.0;120;1.1333\nB3V10;\"DLIM\";\"LIM\";1.0;120;1.1333\nB3V10;\"CAMPH\";\"API\";1.0;120;1.1333\nB3V10;\"MYRC\";\"API\";1.0;120;1.1333\nB3V10;\"ATERP\";\"LIM\";1.0;120;1.1333\nB3V10;\"BPHE\";\"LIM\";1.0;120;1.1333\nB3V10;\"SABI\";\"API\";1.0;120;1.1333\nB3V10;\"PCYM\";\"LIM\";1.0;120;1.1333\nB3V10;\"OCIM\";\"API\";1.0;120;1.1333\nB3V10;\"ATHU\";\"API\";1.0;120;1.1333\nB3V10;\"TRPO\";\"API\";1.0;120;1.1333\nB3V10;\"GTERP\";\"LIM\";1.0;120;1.1333\nB3V10;\"METH\";\"MOH\";1.0;12;2.6667\nB3V10;\"ETHE\";\"ETE\";1.0;24;1.1667\nB3V10;\"PROPE\";\"OLT\";1.0;36;1.1667\nB3V10;\"ETHO\";\"EOH\";1.0;24;1.9167\nB3V10;\"ACET\";\"ACT\";1.0;36;1.6111\nB3V10;\"HEXA\";\"ALD\";1.0;72;1.3611\nB3V10;\"HEXE\";\"ROH\";1.0;72;1.3889\nB3V10;\"HEXY\";\"OLI\";1.0;96;1.4792\nB3V10;\"FORM\";\"HCHO\";1.0;12;2.5000\nB3V10;\"ACTAL\";\"ACD\";1.0;24;1.8333\nB3V10;\"BUTE\";\"OLI\";1.0;48;1.1667\nB3V10;\"ETHA\";\"ETH\";1.0;24;1.2500\nB3V10;\"FORAC\";\"ORA1\";1.0;12;3.8333\nB3V10;\"ACTAC\";\"ORA2\";1.0;24;2.5000\nB3V10;\"BUTO\";\"MVK\";1.0;48;1.4583\nB3V10;\"CO\";\"CO\";1.0;12;2.3333\nB3V10;\"ORVOC\";\"OLI\";0.1;120;0.1133\nB3V10;\"ORVOC\";\"HC3\";0.85;120;0.9633\nB3V10;\"ORVOC\";\"NR\";0.05;120;0.0567\nB3V10;\"SESQT\";\"SESQ\";1.0;180;1.1333\nB10SP;\"ACET\";\"ACETONE\";1.0;36.0;1.6111\nB10SP;\"ACTAC\";\"CCOOH\";1.0;24.0;2.5 ! Corrected mapping for Acetic Acid*\nB10SP;\"ACTAL\";\"CCHO\";1.0;24.0;1.8333 ! Corrected mapping for ACETALDEHYDE*\nB10SP;\"ACTAL\";\"CCHO_PRIMARY\";1.0;24.0;1.8333 ! Corrected mapping for ACETALDEHYDE\nB10SP;\"APIN\";\"APIN\";1.0;120.0;1.1333 ! Corrected mapping for Alpha-Pinene\nB10SP;\"ATERP\";\"TERP\";1.0;120.0;1.1333 ! Changed all mappings for lumped Terpenes\nB10SP;\"ATHU\";\"TERP\";1.0;120.0;1.1333 ! Changed all mappings for lumped Terpenes\nB10SP;\"BPHE\";\"TERP\";1.0;120.0;1.1333 ! Changed all mappings for lumped Terpenes\nB10SP;\"BPIN\";\"TERP\";1.0;120.0;1.1333 ! Changed all mappings for lumped Terpenes\nB10SP;\"BUTE\";\"OLE2\";1.0;48.0;1.1667\nB10SP;\"BUTO\";\"MVK\";1.0;48.0;1.4583\nB10SP;\"CAMPH\";\"TERP\";1.0;120.0;1.1333 ! Changed all mappings for lumped Terpenes\nB10SP;\"CO\";\"CO\";1.0;12.0;2.3333\nB10SP;\"D3CAR\";\"TERP\";1.0;120.0;1.1333 ! Changed all mappings for lumped Terpenes\nB10SP;\"DLIM\";\"TERP\";1.0;120.0;1.1333 ! Changed all mappings for lumped Terpenes\nB10SP;\"ETHA\";\"ALK1\";1.0;24.0;1.25\nB10SP;\"ETHE\";\"ETHENE\";1.0;24.0;1.1667 ! Corrected mapping for Ethene\nB10SP;\"ETHO\";\"ETOH\";1.0;24.0;1.9167 ! Corrected mapping for Ethanol\nB10SP;\"FORAC\";\"HCOOH\";1.0;12.0;3.8333 ! Corrected mapping for Formic Acid*\nB10SP;\"FORM\";\"HCHO\";1.0;12.0;2.5\nB10SP;\"FORM\";\"HCHO_PRIMARY\";1.0;12.0;2.5\nB10SP;\"GTERP\";\"TERP\";1.0;120.0;1.1333 ! Changed all mappings for lumped Terpenes\nB10SP;\"HEXA\";\"RCHO\";1.0;72.0;1.3611\nB10SP;\"HEXE\";\"OLE1\";1.0;72.0;1.3889\nB10SP;\"HEXY\";\"OLE1\";1.0;96.0;1.4792\nB10SP;\"ISOP\";\"ISOPRENE\";1.0;60.0;1.1333 ! corrected mapping for isoprene\nB10SP;\"MBO\";\"OLE2\";1.0;60.0;1.4333\nB10SP;\"METH\";\"MEOH\";1.0;12.0;2.6667\nB10SP;\"MYRC\";\"TERP\";1.0;120.0;1.1333 ! Changed all mappings for lumped Terpenes\nB10SP;\"NO\";\"NO\";1.0;14.0;2.1429\nB10SP;\"OCIM\";\"TERP\";1.0;120.0;1.1333 ! Changed all mappings for lumped Terpenes\nB10SP;\"ORVOC\";\"ALK2\";0.85;120.0;0.9633\nB10SP;\"ORVOC\";\"NR\";0.05;120.0;0.0567\nB10SP;\"ORVOC\";\"OLE2\";0.1;120.0;0.1133\nB10SP;\"PCYM\";\"TERP\";1.0;120.0;1.1333 ! Changed all mappings for lumped Terpenes\nB10SP;\"PROPE\";\"PROPENE\";1.0;36.0;1.1667 ! Corrected mapping for Propene\nB10SP;\"SABI\";\"TERP\";1.0;120.0;1.1333 ! Changed all mappings for lumped Terpenes\nB10SP;\"SESQT\";\"SESQ\";1.0;180.0;1.1333\nB10SP;\"TRPO\";\"TERP\";1.0;120.0;1.1333 ! Changed all mappings for lumped Terpenes\nB10C6;\"ACET\";\"ACET\";1;36;1.6111\nB10C6;\"ACTAC\";\"AACD\";1;24;2.5\nB10C6;\"ACTAL\";\"ALD2\";1;24;1.8333\nB10C6;\"ACTAL\";\"ALD2_PRIMARY\";1;24;1.8333\nB10C6;\"APIN\";\"TERP\";1;120;1.1333\nB10C6;\"APIN\";\"APIN\";1;120;1.1333\nB10C6;\"ATERP\";\"TERP\";1;120;1.1333\nB10C6;\"ATHU\";\"TERP\";1;120;1.1333\nB10C6;\"BPHE\";\"TERP\";1;120;1.1333\nB10C6;\"BPIN\";\"TERP\";1;120;1.1333\nB10C6;\"BUTE\";\"OLE\";1;48;0.5833\nB10C6;\"BUTE\";\"PAR\";2;48;0.5833\nB10C6;\"BUTO\";\"PAR\";1;48;0.3654\nB10C6;\"BUTO\";\"OLE\";1;48;0.7292\nB10C6;\"BUTO\";\"KET\";1;48;0.3654\nB10C6;\"CAMPH\";\"TERP\";1;120;1.1333\nB10C6;\"CO\";\"CO\";1;12;2.3333\nB10C6;\"D3CAR\";\"TERP\";1;120;1.1333\nB10C6;\"DLIM\";\"TERP\";1;120;1.1333\nB10C6;\"ETHA\";\"ETHA\";1;24;1.25\nB10C6;\"ETHE\";\"ETH\";1;24;1.1667\nB10C6;\"ETHO\";\"ETOH\";1;24;1.9167\nB10C6;\"FORAC\";\"FACD\";1;12;3.8333\nB10C6;\"FORM\";\"FORM\";1;12;2.5\nB10C6;\"FORM\";\"FORM_PRIMARY\";1;12;2.5\nB10C6;\"GTERP\";\"TERP\";1;120;1.1333\nB10C6;\"HEXA\";\"ALDX\";1;72;0.4537\nB10C6;\"HEXA\";\"PAR\";4;72;0.9074\nB10C6;\"HEXE\";\"IOLE\";1;72;0.9259\nB10C6;\"HEXE\";\"PAR\";2;72;0.463\nB10C6;\"HEXY\";\"IOLE\";1;96;0.7396\nB10C6;\"HEXY\";\"NR\";1;96;0.1849\nB10C6;\"HEXY\";\"PAR\";3;96;0.5547\nB10C6;\"ISOP\";\"ISOP\";1;60;1.1333\nB10C6;\"MBO\";\"PAR\";3;60;0.86\nB10C6;\"MBO\";\"OLE\";1;60;0.5733\nB10C6;\"METH\";\"MEOH\";1;12;2.6667\nB10C6;\"MYRC\";\"TERP\";1;120;1.1333\nB10C6;\"NO\";\"NO\";1;14;2.1429\nB10C6;\"OCIM\";\"TERP\";1;120;1.1333\nB10C6;\"ORVOC\";\"PAR\";8;120;0.9067\nB10C6;\"ORVOC\";\"OLE\";1;120;0.2267\nB10C6;\"PCYM\";\"TERP\";1;120;1.1333\nB10C6;\"PROPE\";\"OLE\";1;36;0.7778\nB10C6;\"PROPE\";\"PAR\";1;36;0.3889\nB10C6;\"SABI\";\"TERP\";1;120;1.1333\nB10C6;\"TRPO\";\"TERP\";1;120;1.1333\nB10C6;\"SESQT\";\"SESQ\";1;180;1.1333\nB10C6AE7;\"ACET\";\"ACET\";1;36;1.6111\nB10C6AE7;\"ACTAC\";\"AACD\";1;24;2.5\nB10C6AE7;\"ACTAL\";\"ALD2\";1;24;1.8333\nB10C6AE7;\"ACTAL\";\"ALD2_PRIMARY\";1;24;1.8333\nB10C6AE7;\"APIN\";\"APIN\";1;120;1.1333\nB10C6AE7;\"ATERP\";\"TERP\";1;120;1.1333\nB10C6AE7;\"ATHU\";\"TERP\";1;120;1.1333\nB10C6AE7;\"BPHE\";\"TERP\";1;120;1.1333\nB10C6AE7;\"BPIN\";\"TERP\";1;120;1.1333\nB10C6AE7;\"BUTE\";\"OLE\";1;48;0.5833\nB10C6AE7;\"BUTE\";\"PAR\";2;48;0.5833\nB10C6AE7;\"BUTO\";\"PAR\";1;48;0.3654\nB10C6AE7;\"BUTO\";\"OLE\";1;48;0.7292\nB10C6AE7;\"BUTO\";\"KET\";1;48;0.3654\nB10C6AE7;\"CAMPH\";\"TERP\";1;120;1.1333\nB10C6AE7;\"CO\";\"CO\";1;12;2.3333\nB10C6AE7;\"D3CAR\";\"TERP\";1;120;1.1333\nB10C6AE7;\"DLIM\";\"TERP\";1;120;1.1333\nB10C6AE7;\"ETHA\";\"ETHA\";1;24;1.25\nB10C6AE7;\"ETHE\";\"ETH\";1;24;1.1667\nB10C6AE7;\"ETHO\";\"ETOH\";1;24;1.9167\nB10C6AE7;\"FORAC\";\"FACD\";1;12;3.8333\nB10C6AE7;\"FORM\";\"FORM\";1;12;2.5\nB10C6AE7;\"FORM\";\"FORM_PRIMARY\";1;12;2.5\nB10C6AE7;\"GTERP\";\"TERP\";1;120;1.1333\nB10C6AE7;\"HEXA\";\"ALDX\";1;72;0.4537\nB10C6AE7;\"HEXA\";\"PAR\";4;72;0.9074\nB10C6AE7;\"HEXE\";\"IOLE\";1;72;0.9259\nB10C6AE7;\"HEXE\";\"PAR\";2;72;0.463\nB10C6AE7;\"HEXY\";\"IOLE\";1;96;0.7396\nB10C6AE7;\"HEXY\";\"NR\";1;96;0.1849\nB10C6AE7;\"HEXY\";\"PAR\";3;96;0.5547\nB10C6AE7;\"ISOP\";\"ISOP\";1;60;1.1333\nB10C6AE7;\"MBO\";\"PAR\";3;60;0.86\nB10C6AE7;\"MBO\";\"OLE\";1;60;0.5733\nB10C6AE7;\"METH\";\"MEOH\";1;12;2.6667\nB10C6AE7;\"MYRC\";\"TERP\";1;120;1.1333\nB10C6AE7;\"NO\";\"NO\";1;14;2.1429\nB10C6AE7;\"OCIM\";\"TERP\";1;120;1.1333\nB10C6AE7;\"ORVOC\";\"PAR\";8;120;0.9067\nB10C6AE7;\"ORVOC\";\"OLE\";1;120;0.2267\nB10C6AE7;\"PCYM\";\"TERP\";1;120;1.1333\nB10C6AE7;\"PROPE\";\"OLE\";1;36;0.7778\nB10C6AE7;\"PROPE\";\"PAR\";1;36;0.3889\nB10C6AE7;\"SABI\";\"TERP\";1;120;1.1333\nB10C6AE7;\"TRPO\";\"TERP\";1;120;1.1333\nB10C6AE7;\"SESQT\";\"SESQ\";1;180;1.1333\nCRACMM1;\"ISOP\";\"ISO\";1;60.05;1.1344\nCRACMM1;\"MBO\";\"OLT\";1;60.05;1.4344\nCRACMM1;\"APIN\";\"API\";1;120.1;1.1344\nCRACMM1;\"BPIN\";\"API\";1;120.1;1.1344\nCRACMM1;\"D3CAR\";\"API\";1;120.1;1.1344\nCRACMM1;\"DLIM\";\"LIM\";1;120.1;1.1344\nCRACMM1;\"CAMPH\";\"API\";1;120.1;1.1344\nCRACMM1;\"MYRC\";\"LIM\";1;120.1;1.1344\nCRACMM1;\"ATERP\";\"LIM\";1;120.1;1.1344\nCRACMM1;\"BPHE\";\"LIM\";1;120.1;1.1344\nCRACMM1;\"SABI\";\"API\";1;120.1;1.1344\nCRACMM1;\"PCYM\";\"VROCP6ARO\";1;120.1;1.1176\nCRACMM1;\"OCIM\";\"LIM\";1;120.1;1.1344\nCRACMM1;\"ATHU\";\"API\";1;120.1;1.1344\nCRACMM1;\"TRPO\";\"LIM\";1;120.1;1.1344\nCRACMM1;\"GTERP\";\"LIM\";1;120.1;1.1344\nCRACMM1;\"METH\";\"MOH\";1;12.01;2.6679\nCRACMM1;\"ETHE\";\"ETE\";1;24.02;1.1679\nCRACMM1;\"PROPE\";\"OLT\";1;36.03;1.1679\nCRACMM1;\"ETHO\";\"EOH\";1;24.02;1.9179\nCRACMM1;\"ACET\";\"ACT\";1;36.03;1.612\nCRACMM1;\"HEXA\";\"ALD\";1;72.06;1.39\nCRACMM1;\"HEXE\";\"OLI\";1;72.06;1.39\nCRACMM1;\"HEXY\";\"OLI\";1;96.08;1.48\nCRACMM1;\"FORM\";\"HCHO\";1;12.01;2.5001\nCRACMM1;\"ACTAL\";\"ACD\";1;24.02;1.834\nCRACMM1;\"BUTE\";\"OLT\";1;48.04;1.1679\nCRACMM1;\"ETHA\";\"ETH\";1;24.02;1.2519\nCRACMM1;\"FORAC\";\"ORA1\";1;12.01;3.8322\nCRACMM1;\"ACTAC\";\"ORA2\";1;24.02;2.5001\nCRACMM1;\"BUTO\";\"MVK\";1;48.04;1.459\nCRACMM1;\"CO\";\"CO\";1;12.01;2.3322\nCRACMM1;\"ORVOC\";\"HC3\";1;48.04;1.2099\nCRACMM1;\"SESQT\";\"SESQ\";1;180.15;1.1344\nCRACMM1;\"NO\";\"NO\";1.0;14;2.1429\nCRACMM2;\"ISOP\";\"ISO\";1;60.05;1.1344\nCRACMM2;\"MBO\";\"OLT\";1;60.05;1.4344\nCRACMM2;\"APIN\";\"API\";1;120.1;1.1344\nCRACMM2;\"BPIN\";\"API\";1;120.1;1.1344\nCRACMM2;\"D3CAR\";\"API\";1;120.1;1.1344\nCRACMM2;\"DLIM\";\"LIM\";1;120.1;1.1344\nCRACMM2;\"CAMPH\";\"API\";1;120.1;1.1344\nCRACMM2;\"MYRC\";\"LIM\";1;120.1;1.1344\nCRACMM2;\"ATERP\";\"LIM\";1;120.1;1.1344\nCRACMM2;\"BPHE\";\"LIM\";1;120.1;1.1344\nCRACMM2;\"SABI\";\"API\";1;120.1;1.1344\nCRACMM2;\"PCYM\";\"VROCP6ARO\";1;120.1;1.1176\nCRACMM2;\"OCIM\";\"LIM\";1;120.1;1.1344\nCRACMM2;\"ATHU\";\"API\";1;120.1;1.1344\nCRACMM2;\"TRPO\";\"LIM\";1;120.1;1.1344\nCRACMM2;\"GTERP\";\"LIM\";1;120.1;1.1344\nCRACMM2;\"METH\";\"MOH\";1;12.01;2.6679\nCRACMM2;\"ETHE\";\"ETE\";1;24.02;1.1679\nCRACMM2;\"PROPE\";\"OLT\";1;36.03;1.1679\nCRACMM2;\"ETHO\";\"EOH\";1;24.02;1.9179\nCRACMM2;\"ACET\";\"ACT\";1;36.03;1.612\nCRACMM2;\"HEXA\";\"ALD\";1;72.06;1.39\nCRACMM2;\"HEXE\";\"OLI\";1;72.06;1.39\nCRACMM2;\"HEXY\";\"OLI\";1;96.08;1.48\nCRACMM2;\"FORM\";\"HCHO\";1;12.01;2.5001\nCRACMM2;\"ACTAL\";\"ACD\";1;24.02;1.834\nCRACMM2;\"BUTE\";\"OLT\";1;48.04;1.1679\nCRACMM2;\"ETHA\";\"ETH\";1;24.02;1.2519\nCRACMM2;\"FORAC\";\"ORA1\";1;12.01;3.8322\nCRACMM2;\"ACTAC\";\"ORA2\";1;24.02;2.5001\nCRACMM2;\"BUTO\";\"MVK\";1;48.04;1.459\nCRACMM2;\"CO\";\"CO\";1;12.01;2.3322\nCRACMM2;\"ORVOC\";\"HC3\";1;48.04;1.2099\nCRACMM2;\"SESQT\";\"SESQ\";1;180.15;1.1344\nCRACMM2;\"NO\";\"NO\";1.0;14;2.1429\n\n" }, { "path": "CCTM/src/biog/beis4/hrno.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE HRNO( JDATE, JTIME, TSTEP, NOPOL, L_DESID_DIAG )\n\nC-----------------------------------------------------------------------\nC Description:\n \nC Uses new NO algorithm NO = Normalized*Tadj*Padj*Fadj*Cadj\nC to estimate NO emissions \nC Information needed to estimate NO emissions:\nC Julian Day (integer) JDATE\nC Surface Temperature (MCIP field) TA (K)\nC Rainfall (MCIP derived field) RAIN (cm)\nC Soil Moisture (MCIP field) SOILM (M**3/M**3) (PX_LSM)\nC (ratio of volume of water per volume of soil)\nC Soil Temperature (MCIP field) SOILT (K) (PX_LSM)\nC Soil Type (MCIP field) ISLTYP (PX_LSM)\nC Saturation values for soil types (constants) (PX_LSM)\nC FOR PX Version, the Temperature adjustment factor accounts for wet and dry\nC soils and the precipitation adjustment factor accounts for saturated soils\nC FOR the non-PX version, the basic algorithm remains with a temperature\nC adjustment factor (dry soil) and no adjustment for saturated soils\n \nC The following arrays are potentially updated after a call to HRNO:\nC PTYPE type of NO emission pulse \nC PULSEDATE julian date for the beginning of an NO pulse \nC PULSETIME time for the beginning of an NO pulse\n \nC The calculation are based on the following paper:\nC J.J. Yienger and H. Levy II, Journal of Geophysical Research, vol 100,\nC 11447-11464, 1995\n \nC The Temperature Adjustment Factor is based on section 4.2 for wet and dry\nC soils with the following modification (PX version):\nC Instead of classifying soils as either 'wet' or 'dry', the wet and dry\nC adjustment is calculated at each grid cell. A linear interpolation between\nC the wet and dry adjustment factor is made using the relative amount of soil\nC moisture in the top layer (1cm) as the interpolating factor. The relative\nC amount of soil moisture is determined by taking the MCIP soil moisture field\nC and dividing by the saturation value defined for each soil type in the PX\nC version of MCIP. The soil temperature is used in PX version\n \nC The Precipation Adjustment factor is based on section 4.1 with the following\nC modifications:\nC The rainrate is computed from the MCIP directly using a 24 hr daily total. \nC The types of Pulses as described in YL95 were used to estimate the NO\nC emission rate. \n \nC Also see the following paper for more information:\nC Proceedings of the Air and Waste Management Association/U.S. Environmental\nC Protection Agency EMission Inventory Conference, Raleigh October 26-28, 1999\nC Raleigh NC by Tom Pierce and Lucille Bender \n \nC References:\n \nC Jacquemin B. and Noilhan J. (1990), Bound.-Layer Meteorol., 52, 93-134.\nC J.J. Yienger and H. Levy II, Journal of Geophysical Research, vol 100,\nC 11447-11464, 1995\nC T. Pierce and L. Bender, Examining the Temporal Variability of Ammonia and\nC Nitric Oxide Emissions from Agricultural Processes Proceedings of the Air and\nC Waste Management Association/U.S. Environmental Protection Agency Emission\nC Inventory Conference, Raleigh October 26-28, 1999 Raleigh NC\n\nC Preconditions:\nC Normalized NO emissions, Surface Temperature, Soil Moisture, Soil type,\nC NO emission pulse type, soil moisture from previous time step, julian date\nC of NO emission pulse start, time of NO emission pulse start,\nC soil type, SOIL TYPES, Land use data\n \nC Subroutines and Functions Called (directly or indirectly):\nC PRECIP_ADJ computes precipitation adjustment factor\nC FERTILIZER_ADJ computes fertlizer adjustment factor\nC VEG_ADJ computes vegetation adjustment factor\nC GROWSEASON computes Julian day of growing season\nC PRECIPFAC computes precip adjustment factor from rainfall in last 24 hrs\nC and time since pulse initiation\nC PULSETYPE determines type & duration of NO emission pulse from rainrate\n \nC Revision History:\nC 10/01: Prototype by GAP\nC 10/03: modified transition to non growing season for jul-oct of the year\nC 08/04: Converted to SMOKE code style by C Seppanen\nC Mar 07: Restructure; J.Young\nC Jan 26: J.Young - move input data reads from tmpbeis;\nC remove ck & report if TAIR > 315;\nC restructure growing season, col/row loops;\nC restructure PRECIP_ADJ\nC Jan 27: D. Wong - Eliminate potential race condition with mype = 0 and\nC barrier implementation - not needed anyway.\nC 02/11: S.Roselle-Replaced I/O API include files with UTILIO_DEFN\nC 05/11: D. Wong - incorporated twoway model implementation\nC 05/12: J.Young - make PX_LSM the default\nC 05/13: D.Wong - replaced M3EXIT with M3WARN when CHKGRID is called in the twoway model\nC 09/13: D.Wong - made the code more robust by\nC * allowing simulation start time at any hour rather than 0\nC * allowing finer met data time step and maintaining an hourly\nC rainfall bucket\nC 07 Nov 14 J.Bash: Updated for the ASX_DATA_MOD shared data module. \nC Aug 15 D.Wong: Replaced MYPE with IO_PE_INCLUSIVE for parallel I/O \nC implementation and added code to handle parallel I/O\nC 09 Jan 15 J.Young: fix bug of not calculating NOPOL for last sync step of last\nC run output step; get saturation from LSM module; put PX_LSM\nC as first conditional clause\nC 01 Feb 19 D.Wong: Implemented centralized I/O approach\nC 30 June 19 J. Pleim: Corrected Soil Types to 16 and simplified code \nC-----------------------------------------------------------------------\nC Modified from:\n\nC Project Title: Sparse Matrix Operator Kernel Emissions (SMOKE) Modeling System\nC File: @(#)$Id: hrno.F,v 1.6 2011/10/21 16:10:18 yoj Exp $\nC COPYRIGHT (C) 2004, Environmental Modeling for Policy Development\nC All Rights Reserved\nC Carolina Environmental Program\nC University of North Carolina at Chapel Hill\nC 137 E. Franklin St., CB# 6116\nC Chapel Hill, NC 27599-6116\nC smoke@unc.edu\nC Pathname: $Source: /project/yoj/arc/CCTM/src/biog/beis3/hrno.F,v $\nC Last updated: $Date: 2011/10/21 16:10:18 $ \nC-----------------------------------------------------------------------\n USE RUNTIME_VARS\n USE HGRD_DEFN ! horizontal domain specifications\n USE BIOG_EMIS, ONLY: NSEF ! beis\n USE ASX_DATA_MOD\n USE UTILIO_DEFN\n#ifdef mpas\n use mio_module\n USE util_module, only : NEXTIME, TIME2SEC, SECSDIFF, CURRSTEP, julian\n#else\n#ifdef parallel\n USE SE_MODULES ! stenex (using SE_UTIL_MODULE)\n#else\n USE NOOP_MODULES ! stenex (using NOOP_UTIL_MODULE)\n#endif\n#endif\n USE centralized_io_module\n\n IMPLICIT NONE\n \nC Includes:\n\nC Arguments:\n INTEGER, INTENT( IN ) :: JDATE ! current simulation date (YYYYDDD)\n INTEGER, INTENT( IN ) :: JTIME ! current simulation time (HHMMSS)\n INTEGER, INTENT( IN ) :: TSTEP( 3 ) ! time step vector (HHMMSS)\n REAL, INTENT( OUT ) :: NOPOL( :,: ) ! output NO emissions\n LOGICAL, INTENT( IN ) :: L_DESID_DIAG ! flag determining whether or not DESID\n ! is in diagnostic mode \nC External Functions\n LOGICAL, EXTERNAL :: CHKGRID\n\nC Parameters:\n INTEGER, PARAMETER :: MXRHRS = 24 ! no. of rainfall hours for YL95 algorithm\n INTEGER, PARAMETER :: LSM_WATER = 14\n REAL, PARAMETER :: CFNODRYFC = ( 1.0 / 3.0 ) * ( 1.0 / 30.0 )\n \nC Saturation values for 11 soil types from pxpbl.F (MCIP PX version)\nC In LSM_MOD:WSAT\nC Pleim-Xiu Land-Surface and PBL Model (PX-LSM)\nC See Jacquemin B. and Noilhan J. (1990), Bound.-Layer Meteorol., 52, 93-134.\n\nC Local Variables:\n\n CHARACTER( 16 ), SAVE :: MNAME ! logical name for MET_CRO_2D\n CHARACTER( 16 ), SAVE :: SOILINP ! logical name for input NO soil data\n CHARACTER( 16 ), SAVE :: SOILOUT = 'BEIS_SOILOUT' ! logical name for output NO soil data\n CHARACTER( 33 ), SAVE :: DESCSTR = 'hrly cnv. & non-cnv. rainfall for'\n\n CHARACTER( 16 ) :: VAR ! variable name\n\n INTEGER, SAVE :: IHR ! current simulation hour\n INTEGER NDX ! RAINFALL array timestep index\n\n REAL, ALLOCATABLE, SAVE :: C_RAINFALL ( :,: ) ! rainfall for current hour\n REAL, ALLOCATABLE, SAVE :: RNTOT ( :,: ) ! RN + RC\n INTEGER, SAVE :: RHOURS ! SOILINP(OUT) file no. of RAINFALL hour variables\n INTEGER, SAVE :: RDATE ! date to update rainfall\n INTEGER, SAVE :: RTIME ! time to update rainfall\n INTEGER, SAVE :: EDATE ! end scenario date\n INTEGER, SAVE :: ETIME ! end scenario time\n INTEGER, SAVE :: NDATE ! test date to update rainfall\n INTEGER, SAVE :: NTIME ! test time to update rainfall\n \n LOGICAL, SAVE :: INITIAL_DAY = .FALSE. ! true: 1st 24 hours; no previous data\n ! false: previous 24 hours of rainfall\n ! are available for HRNO\n\n INTEGER SOILCAT ! soil category\n INTEGER, SAVE :: MSTEPS ! run no. of steps\n INTEGER I, J, K, R, C, L ! counters\n LOGICAL OK\n INTEGER IOS ! IO or memory allocation status\n INTEGER, SAVE :: METSTEP ! met_cro_2d time step\n \n REAL, SAVE :: EFAC\n REAL CFNO ! NO correction factor\n REAL CFNOGRASS ! NO correction factor for grasslands\n REAL TAIR ! surface temperature\n REAL TSOI ! soil temperature\n REAL CFNOWET, CFNODRY, RATIO\n REAL FAC1, FAC2, FAC3, FAC4\n\n LOGICAL, SAVE :: USE_SOILT = .TRUE. ! use soil temperature in PX version\n ! rather than estimate as in BEIS2\n\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n LOGICAL, SAVE :: FIRSTHR = .TRUE.\n LOGICAL, SAVE :: FIRST_WRITE = .TRUE.\n CHARACTER( 256 ) :: MESG ! message buffer\n CHARACTER( 16 ) :: PNAME = 'HRNO' ! procedure name\n\n INTEGER GXOFF, GYOFF ! global origin offset from file\nC for INTERPX\n INTEGER :: STRTCOLSIN, ENDCOLSIN, STRTROWSIN, ENDROWSIN ! SOILINP\n\n CHARACTER( 16 ), SAVE :: VNAME_RC, VNAME_RN\n INTEGER :: SPC\n\n#ifdef mpas\n integer :: io_mode\n#endif\n\n LOGICAL, EXTERNAL :: FLUSH3\n\n#ifdef verbose_hrno\n integer mxptype, ncfno0\n real mxrntot, mxfac1, avgfac2, mxfac3, mxfac4\n real mxtair, mxcfno\n#endif\nC-----------------------------------------------------------------------\n\n IF ( FIRSTIME ) THEN\n! FIRSTIME = .FALSE.\n\n#ifdef mpas\n if (ncd_64bit_offset) then\n io_mode = ior (nf90_noclobber, nf90_64bit_offset)\n else\n io_mode = nf90_noclobber\n end if\n\n call mio_fcreate ('SOILOUT', io_mode)\n#endif\n\nC Determine last timestamp\n EDATE = STDATE; ETIME = STTIME\n CALL NEXTIME( EDATE, ETIME, RUNLEN ) ! end date & time\n MSTEPS = TIME2SEC( RUNLEN ) / TIME2SEC( TSTEP( 1 ) )\n\n#ifdef mpas\n METSTEP = tstep(3)\n#else\n\nC Open met file\n MNAME = PROMPTMFILE(\n & 'Enter name for gridded met input file',\n & FSREAD3, 'MET_CRO_2D', PNAME )\n\nC Get description of met file\n IF ( .NOT. DESC3( MNAME ) ) THEN\n MESG = 'Could not get description of file \"'\n & // TRIM( MNAME ) // '\"'\n CALL M3EXIT( PNAME, JDATE, JTIME, MESG, XSTAT2 )\n END IF\n\n METSTEP = TSTEP3D\n\nC Check that grid description matches MET_CRO_2D file\n IF ( .NOT. CHKGRID( MNAME ) ) THEN\n MESG = 'Grid in file \"' // TRIM( MNAME )\n & // '\" does not match grid in file ' // TRIM( MNAME ) // '\"'\n#ifdef twoway\n CALL M3WARN( PNAME, 0, 0, MESG )\n#else\n CALL M3EXIT( PNAME, JDATE, JTIME, MESG, XSTAT2 )\n#endif\n END IF\n#endif\n\n ALLOCATE( RNTOT( NCOLS,NROWS ), STAT=IOS )\n CALL CHECKMEM( IOS, 'RNTOT', PNAME )\n\nC Initial run until a full 24 hours has been recorded on the SOIL(OUT/INP) file\nC for the Yienger and Levy algorithm\n WRITE( LOGDEV,'(/5X, A)' ) 'Temporal BEIS ...'\n RHOURS = MXRHRS\n\nC If initial run, initialize some variables, otherwise get them from file\n IF ( NEW_START ) THEN\n\n PULSEDATE = 0 ! array\n PULSETIME = 0 ! array\n PTYPE = 0 ! array\n\n END IF ! initial run\n\n ALLOCATE( C_RAINFALL( NCOLS,NROWS ), STAT=IOS )\n CALL CHECKMEM( IOS, 'RAINFALL', PNAME )\n C_RAINFALL = 0.0 ! array\n\n RDATE = STDATE; RTIME = STTIME\n! IHR = 0\n EFAC = EXP( -0.103 * 30.0 )\n\n END IF ! FIRSTIME\n\nC Non-convective (RN) and convective (RC) rain is the total amount for the met\nC preprocessor's (typically MCIP) output timestep (typically one hour). It doesn't\nC make sense to time-interpolate these values, since rain generally does not fall\nC at a constant rate for an output timestep.\n IF ( .NOT. CURRSTEP( JDATE, JTIME, STDATE, STTIME, METSTEP,\n & NDATE, NTIME ) ) THEN\n MESG = 'Cannot get step date and time'\n CALL M3EXIT( PNAME, JDATE, JTIME, MESG, XSTAT3 )\n END IF\n\nC Store current time step rainfall totals\n IF ( NDATE .EQ. RDATE .AND. NTIME .EQ. RTIME ) THEN ! on the METSTEP\n\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n IHR = MOD( RTIME / 10000 + 23, 24 ) ! previous hour bin,\n ! to accommodate non-zero start hour\n END IF\n\nC For the first hour of the simulation day, use the previous 24 hour\nC data to compute precip adjustment\n\n NDX = 1 + MOD( IHR, MXRHRS )\n C_RAINFALL = C_RAINFALL + MET_DATA%RN + MET_DATA%RC\n WRITE( DDTTM( NDX ),'(I8,\":\",I6.6)' ) RDATE, RTIME\n\n IF ( MOD( NTIME, 10000 ) .EQ. 0 ) THEN ! at the hourly mark\n RAINFALL( :,:,NDX ) = C_RAINFALL\n C_RAINFALL = 0.0\n IHR = IHR + 1\n END IF\n\n! CALL NEXTIME( RDATE, RTIME, TSTEP( 1 ) )\n CALL NEXTIME( RDATE, RTIME, METSTEP )\n\n RNTOT = 0.0 ! array assignment\n IF ( NEW_START ) THEN\n IF ( IHR .LT. MXRHRS ) THEN\n INITIAL_DAY = .TRUE.\n ELSE\n INITIAL_DAY = .FALSE.\n END IF\n ELSE ! store accumulated rain in RNTOT array\n DO I = 1, MXRHRS\n RNTOT = RNTOT + RAINFALL( :,:,I )\n END DO\n END IF\n\n#ifdef verbose_hrno\n write( logdev,* ) 'hrno - INITIAL_DAY, IHR: ', initial_day, ihr\n#endif\n\n END IF ! on the METSTEP\n\nC Calculate temporal non-speciated soil NO emissions\n \n IF ( GROWSEASON( JDATE ) .EQ. 0 ) THEN ! not growing season\n\n#ifdef verbose_hrno\n write( logdev,* ) ' not growing season'\n mxtair = 0.0; mxcfno = 0.0; ncfno0 = 0\n#endif\n\n DO R = 1, NROWS\n DO C = 1, NCOLS\n \n TAIR = MET_DATA%TEMP2( C,R ) ! unit in degree K\n\nC Check min bounds for temperature and limit to 303 deg K\n IF ( TAIR .LT. 200.0 ) THEN\n WRITE( MESG, 94010 ) 'TAIR=', TAIR,\n & 'out of range at (C,R)=', C, R\n CALL M3MESG( MESG )\n Write( MESG,94010 ) 'Max TAIR: ', Maxval( MET_DATA%TEMP2 ),\n & 'at (C,R)', Maxloc( MET_DATA%TEMP2 )\n CALL M3MESG( MESG )\n Write( MESG,94010 ) 'Min TAIR: ', Minval( MET_DATA%TEMP2 ),\n & 'at (C,R)', Minloc( MET_DATA%TEMP2 )\n CALL M3MESG( MESG )\n CALL M3EXIT( PNAME, JDATE, JTIME, '*** ABORT', 2 )\n END IF\n TAIR = MIN( TAIR, 303.0 )\n\n IF ( TAIR .GT. 268.8690 ) THEN\n CFNO = EXP( 0.04686 * TAIR - 14.30579 ) ! grass (from BEIS2)\n ELSE\n CFNO = 0.0\n#ifdef verbose_hrno\n ncfno0 = ncfno0 + 1\n#endif\n END IF\n\n#ifdef verbose_hrno\n mxtair = max( mxtair, tair )\n mxcfno = max( mxcfno, cfno )\n#endif\n\n NOPOL( C,R ) = CFNO * ( NGROWAGNO( C,R ) ! agriculture\n & + NONAGNO( C,R ) ) ! non-agriculture\n\n END DO ! columns\n END DO ! rows\n\n#ifdef verbose_hrno\n write( logdev,2009 ) ncfno0, mxtair, mxcfno\n2009 format( ' hrno - NCFNO0, MAX TAIR,CFNO: ', i7, 2f10.5 )\n#endif\n\n ELSE ! growing season\n\n#ifdef verbose_hrno\n mxptype = 0; mxrntot = 0.0\n mxfac1 = 0.0; avgfac2 = 0.0; mxfac3 = 0.0; mxfac4 = 0.0\n#endif\n\n DO R = 1, NROWS\n DO C = 1, NCOLS\n \n TAIR = MET_DATA%TEMP2( C,R ) ! unit in degree K\n\nC Check min bounds for temperature and limit max to 303 deg K\n IF ( TAIR .LT. 200.0 ) THEN\n WRITE( MESG, 94010 ) 'TAIR=', TAIR,\n & 'out of range at (C,R)=', C, R\n CALL M3EXIT( PNAME, JDATE, JTIME, MESG, 2 )\n END IF\n TAIR = MIN( TAIR, 303.0 )\n\nC Calculate NO emissions by going thru temperature cases\n\n IF ( PX_LSM .OR. CLM_LSM .OR. NOAH_LSM ) THEN\n\n SOILCAT = GRID_DATA%SLTYP( C,R )\n TSOI = 0.0\n IF( SOILCAT .NE. LSM_WATER ) THEN\n RATIO = MET_DATA%SOIM1( C,R ) / Grid_Data%WSAT( C,R )\n IF ( USE_SOILT ) THEN\n TSOI = MET_DATA%SOIT1( C,R )\n ELSE\n TSOI = 0.72 * TAIR + 82.28\n END IF\n TSOI = MIN( MAX( TSOI, 273.16 ), 303.16 ) - 273.16 ! deg C\n CFNODRY = CFNODRYFC * TSOI ! see YL 1995 Eqn 9a p. 11452\n\n IF ( TSOI .LE. 10.0 ) THEN ! see YL 1995 Eqn 7b\n CFNOWET = 0.28 * EFAC * TSOI ! linear cold case\n ELSE\n CFNOWET = EFAC * EXP( 0.103 * TSOI ) ! exponential case\n END IF\n\n CFNO = CFNODRY + RATIO * ( CFNOWET - CFNODRY )\n FAC1 = GROWAGNO( C,R ) * CFNO\n & * FERTILIZER_ADJ( JDATE )\n & * VEG_ADJ( JDATE )\n\n ELSE\n FAC1 = 0.0\n END IF\n\n IF ( INITIAL_DAY ) THEN\n FAC2 = 1.0\n PTYPE( C,R ) = 0\n PULSEDATE( C,R ) = 0\n PULSETIME( C,R ) = 0\n ELSE\n FAC2 = PRECIP_ADJ_PX( JDATE, JTIME, RNTOT( C,R ),\n & MET_DATA%SOIM1( C,R ),\n & Grid_Data%WSAT( C,R ), PTYPE( C,R ), \n & PULSEDATE( C,R ), PULSETIME( C,R ) )\n END IF\n\n ELSE\n\n TSOI = 0.72 * TAIR + 82.28\n TSOI = MIN( MAX( TSOI, 273.16 ), 303.16 ) - 273.16 ! deg C\n CFNODRY = CFNODRYFC * TSOI ! see YL 1995 Eqn 9a p. 11452\n IF ( TSOI .LE. 10.0 ) THEN ! see YL 1995 Eqn 7b\n CFNOWET = 0.28 * EFAC * TSOI ! linear cold case\n ELSE\n CFNOWET = EFAC * EXP( 0.103 * TSOI ) ! exponential case\n END IF\n CFNO = 0.5 * ( CFNOWET + CFNODRY )\n\n FAC1 = GROWAGNO( C,R ) * CFNO\n & * FERTILIZER_ADJ( JDATE )\n & * VEG_ADJ( JDATE )\n \n IF ( INITIAL_DAY ) THEN\n FAC2 = 1.0\n PTYPE( C,R ) = 0\n PULSEDATE( C,R ) = 0\n PULSETIME( C,R ) = 0\n ELSE\n FAC2 = PRECIP_ADJ( JDATE, JTIME, RNTOT( C,R ),\n & PTYPE( C,R ), PULSEDATE( C,R ),\n & PULSETIME( C,R ) )\n END IF\n\n END IF ! PX version check\n\n IF ( TAIR .GT. 268.8690 ) THEN \n CFNOGRASS = EXP( 0.04686 * TAIR - 14.30579 ) ! grass (from BEIS2)\n FAC3 = NGROWAGNO( C,R ) * CFNOGRASS \n FAC4 = NONAGNO( C,R ) * CFNOGRASS\n ELSE\n FAC3 = 0.0\n FAC4 = 0.0\n END IF\n\n#ifdef verbose_hrno\n mxptype = max( mxptype, ptype( c,r ) )\n mxrntot = max( mxrntot, rntot( c,r ) )\n mxfac1 = max( mxfac1, fac1 )\n avgfac2 = avgfac2 + fac2\n mxfac3 = max( mxfac3, fac3 )\n mxfac4 = max( mxfac4, fac4 )\n#endif\n IF( TSOI .LE. 0.0 ) THEN\n NOPOL( C,R ) = 0.0\n ELSE \n NOPOL( C,R ) = MAX( ( FAC1 * FAC2 ), FAC3 ) + FAC4\n END IF\n\n END DO ! columns\n END DO ! rows\n\n#ifdef verbose_hrno\n write( logdev,2011 ) mxptype, mxrntot, avgfac2/(ncols*nrows), mxfac1, mxfac3, mxfac4\n2011 format( ' hrno MAX PTYPE,RNTOT,AVGFAC2,FAC1,3,4: ', I2, 2f8.3 , 3f10.3 )\n#endif\n\n END IF ! growing season check\n\n IF ( SECSDIFF( JDATE,JTIME, EDATE,ETIME ) .GT. TIME2SEC( TSTEP( 2 ) ) .OR. L_DESID_DIAG ) RETURN\n\n#ifdef mpas\n var = 'PTYPE'\n call mio_fwrite ('SOILOUT', var, pname, ptype)\n\n var = 'PULSEDATE'\n call mio_fwrite ('SOILOUT', var, pname, pulsedate)\n\n var = 'PULSETIME'\n call mio_fwrite ('SOILOUT', var, pname, pulsetime)\n\n do i = 1, rhours\n write( var, '(a8,i2.2)' ) 'RAINFALL', I\n call mio_fwrite ('SOILOUT', var, pname, rainfall(1,1,i))\n end do\n#else\n\nC Create rain data file for soil NO\n\nC Final timestamp\n NDATE = EDATE; NTIME = ETIME\n\nC Build description for, and create/open soil NO emissions output file\n FTYPE3D = GRDDED3\n SDATE3D = NDATE\n STIME3D = NTIME\n TSTEP3D = 0 ! make it a time-independent file\n NCOLS3D = GL_NCOLS\n NROWS3D = GL_NROWS\n NLAYS3D = 1\n NVARS3D = 3 + RHOURS\n MXREC3D = 1\n NTHIK3D = 1\n GDTYP3D = GDTYP_GD\n P_ALP3D = P_ALP_GD\n P_BET3D = P_BET_GD\n P_GAM3D = P_GAM_GD\n XORIG3D = XORIG_GD\n YORIG3D = YORIG_GD\n XCENT3D = XCENT_GD\n YCENT3D = YCENT_GD\n XCELL3D = XCELL_GD\n YCELL3D = YCELL_GD\n VGTYP3D = VGTYP_GD\n VGTOP3D = VGTOP_GD\n DO L = 1, NLAYS3D + 1\n VGLVS3D( L ) = VGLVS_GD( L )\n END DO\n GDNAM3D = GRID_NAME ! from HGRD_DEFN\n\n VNAME3D = ' '\n VNAME3D( 1 ) = 'PTYPE'\n VNAME3D( 2 ) = 'PULSEDATE'\n VNAME3D( 3 ) = 'PULSETIME'\n\n DO I = 1, RHOURS\n WRITE( VAR, '(A8,I2.2)' ) 'RAINFALL', I\n VNAME3D( I+3 ) = VAR\n END DO\n\n UNITS3D = ' '\n UNITS3D( 1 ) = 'INTEGER'\n UNITS3D( 2 ) = 'YYYYDDD'\n UNITS3D( 3 ) = 'HHMMSS'\n UNITS3D( 4:RHOURS+3 ) = 'cm'\n\n VDESC3D( 1 ) = 'NO emission pulse type'\n VDESC3D( 2 ) = 'CMAQ starting date for NO emission pulse'\n VDESC3D( 3 ) = 'CMAQ starting time for NO emission pulse'\n! VDESC3D( 4:RHOURS+3 ) = 'hourly convective and non-convective rainfall'\n DO I = 1, RHOURS\n VDESC3D( I+3 ) = DESCSTR // DDTTM( I )\n END DO\n\n VTYPE3D = 0\n VTYPE3D( 1 ) = M3INT\n VTYPE3D( 2 ) = M3INT\n VTYPE3D( 3 ) = M3INT\n VTYPE3D( 4:RHOURS+3 ) = M3REAL\n\n FDESC3D = ' '\n FDESC3D( 1 ) = 'Gridded rainfall data for soil NO emissions'\n FDESC3D( 2 ) = '/From/ ' // PNAME\n FDESC3D( 3 ) = '/Version/ CMAQ'\n\nC Open NO rain data save file\n IF ( IO_PE_INCLUSIVE ) THEN\n IF ( .NOT. OPEN3( SOILOUT, FSNEW3, PNAME ) ) THEN\n MESG = 'Could not open \"' // TRIM( SOILOUT ) // '\" file'\n CALL M3EXIT( PNAME, JDATE, JTIME, MESG, XSTAT1 )\n END IF\n END IF\n\n#ifdef parallel_io\n IF ( IO_PE_INCLUSIVE ) THEN\n IF ( .NOT. FLUSH3 ( SOILOUT ) ) THEN\n MESG = 'Could not sync to disk ' // TRIM( SOILOUT )\n CALL M3EXIT( PNAME, JDATE, JTIME, MESG, XSTAT2 )\n END IF\n END IF\n CALL SE_BARRIER\n IF ( .NOT. IO_PE_INCLUSIVE ) THEN\n IF ( .NOT. OPEN3( SOILOUT, FSREAD3, PNAME ) ) THEN\n MESG = 'Could not open ' // TRIM( SOILOUT )\n CALL M3EXIT( PNAME, JDATE, JTIME, MESG, XSTAT2 )\n END IF\n END IF\n#endif\n\nC Write soil NO rain data file\n\n VAR = 'PTYPE'\n IF ( .NOT. WRITE3( SOILOUT, VAR, NDATE, NTIME, PTYPE ) ) THEN\n MESG = 'Could not write \"' // TRIM( VAR ) //\n & '\" to file \"' // TRIM( SOILOUT ) // '\"'\n CALL M3EXIT( PNAME, JDATE, JTIME, MESG, XSTAT2 )\n END IF\n\n VAR = 'PULSEDATE'\n IF ( .NOT. WRITE3( SOILOUT, VAR, NDATE, NTIME, PULSEDATE ) ) THEN\n MESG = 'Could not write \"' // TRIM( VAR ) //\n & '\" to file \"' // TRIM( SOILOUT ) // '\"'\n CALL M3EXIT( PNAME, JDATE, JTIME, MESG, XSTAT2 )\n END IF\n\n VAR = 'PULSETIME'\n IF ( .NOT. WRITE3( SOILOUT, VAR, NDATE, NTIME, PULSETIME ) ) THEN\n MESG = 'Could not write \"' // TRIM( VAR ) //\n & '\" to file \"' // TRIM( SOILOUT ) // '\"'\n CALL M3EXIT( PNAME, JDATE, JTIME, MESG, XSTAT2 )\n END IF\n\n NDX = 1 + MOD( IHR, MXRHRS )\n RAINFALL( :,:,NDX ) = C_RAINFALL\n DO I = 1, RHOURS\n WRITE( VAR, '(A8,I2.2)' ) 'RAINFALL', I\n IF ( .NOT. WRITE3( SOILOUT, VAR, NDATE, NTIME, RAINFALL( :,:,I ) ) ) THEN\n MESG = 'Could not write \"' // TRIM( VAR ) //\n & '\" to file \"' // TRIM( SOILOUT ) // '\"'\n CALL M3EXIT( PNAME, JDATE, JTIME, MESG, XSTAT2 )\n END IF\n END DO\n\n WRITE( LOGDEV,94040 )\n & 'Timestep written to', SOILOUT,\n & 'for date and time', NDATE, NTIME\n#endif\n\n RETURN\n\n94010 FORMAT( A, F10.2, 1X, A, I3, ',', I3 )\n94040 FORMAT( /5X, 3( A, :, 1X ), I8, \":\", I6.6 )\n\nC-----------------------------------------------------------------------\n\n CONTAINS\n\n REAL FUNCTION PRECIP_ADJ_PX( JDATE, JTIME, RAIN, SOILM, WSAT,\n & PTYPE, PULSEDATE, PULSETIME )\n\nC-----------------------------------------------------------------------\n \nC Description:\n \nC Compute precipitation adjustment factor for estimate of NO emissions \nC Uses: julian day, time, soil moisture\nC Requires the use of three arrays that are re-used each time step:\nC PTYPE, PULSEDATE, PULSETIME \nC These arrays store the type of NO pulse initiated by the rainfall\nC and the starting date and time of the pulse.\n \nC Preconditions:\nC Soil Moisture current time, Soil Moisture previous time,\nC Soil type, Land Use, PTYPE, PULSEDATE, PULSETIME \n \nC Subroutines and Functions Called:\nC precipfact - computes precip adjustment factor from rainrate and time\nC since pulse initiation\nC pulsetype - determines type & duration of NO emission pulse from rainrate\n \nC Revision History:\nC 11/01 : Prototype by GAP\nC 3/05 : create separate functions for PX vs non-PX versions\nC 1/10 : J.Young - restructure\nC 7/31/19 J. Pleim : Corrected Soil Types and Simplified Code\nC-----------------------------------------------------------------------\n\n USE UTILIO_DEFN\n\n IMPLICIT NONE\n\nC Function arguments:\n INTEGER, INTENT( IN ) :: JDATE, JTIME\n REAL, INTENT( IN ) :: RAIN\n REAL, INTENT( IN ) :: SOILM ! only avilable if PX version\n REAL, INTENT( IN ) :: WSAT ! only tested for PX and CLM versions \n INTEGER, INTENT( INOUT ) :: PTYPE ! pulse type\n INTEGER, INTENT( INOUT ) :: PULSEDATE ! date of pulse start\n INTEGER, INTENT( INOUT ) :: PULSETIME ! date of pulse end\n\nC External functions:\n \nC Parameters:\n REAL, PARAMETER :: SAT_THRES = 0.95\n\nC Local variables:\n INTEGER SOILCAT ! soil type category\n INTEGER PTYPE_TEST\n\nC-----------------------------------------------------------------------\n\nC Summary of algorithm\nC 1. compute rate of change of soil moisture from soil moisture\nC 2. estimate rainrate from soil moisture and soil moisture rate\nC 3. compute adjustment using pulsetype, rainrate, ptype, and date/time\nC if stronger NO pulse compared to previous time step, then\nC start a new NO emission pulse,\nC otherwise continue present NO pulse\nC 4. override adjustment for saturated soils \n\n SOILCAT = GRID_DATA%SLTYP( C,R )\n IF ( SOILCAT .NE. LSM_WATER ) THEN \n IF ( SOILM .GE. SAT_THRES * WSAT ) THEN\n PRECIP_ADJ_PX = 0.0\n ELSE\n PTYPE_TEST = PULSETYPE( RAIN )\n IF ( PTYPE_TEST .GT. PTYPE ) THEN ! Rainfall class type increases\n PULSEDATE = JDATE ! (NO emission pulse generated)\n PULSETIME = JTIME\n PTYPE = PTYPE_TEST\n END IF\n PRECIP_ADJ_PX = PRECIPFAC( JDATE, JTIME, PULSEDATE, PULSETIME, PTYPE )\n END IF\n ELSE\n PRECIP_ADJ_PX = 0.0\n END IF\n\n RETURN\n \n END FUNCTION PRECIP_ADJ_PX\n \nC-----------------------------------------------------------------------\n\n REAL FUNCTION PRECIP_ADJ( JDATE, JTIME, RAIN,\n & PTYPE, PULSEDATE, PULSETIME )\n\nC-----------------------------------------------------------------------\nC Description:\n \nC Compute precipitation adjustment factor for estimate of NO emissions \nC Uses: julian day, time, soil moisture\nC Requires the use of three arrays that are re-used each time step:\nC PTYPE, PULSEDATE, PULSETIME \nC These arrays store the type of NO pulse initiated by the rainfall\nC and the starting date and time of the pulse.\n \nC Preconditions:\nC Soil Moisture current time, Soil Moisture previous time,\nC Soil type, Land Use, PTYPE, PULSEDATE, PULSETIME \n \nC Subroutines and Functions Called:\nC precipfact - computes precip adjustment factor from rainrate and time\nC since pulse initiation\nC pulsetype - determines type & duration of NO emission pulse from rainrate\n \nC Revision History:\nC 11/01 : Prototype by GAP\nC 3/05 : created a non-PX version of this function \nC 1/10 : J.Young - restructure\n \nC-----------------------------------------------------------------------\n\n USE UTILIO_DEFN\n\n IMPLICIT NONE\n\nC Function arguments:\n INTEGER, INTENT( IN ) :: JDATE, JTIME\n REAL, INTENT( IN ) :: RAIN\n INTEGER, INTENT( INOUT ) :: PTYPE ! pulse type\n INTEGER, INTENT( INOUT ) :: PULSEDATE ! date of pulse start\n INTEGER, INTENT( INOUT ) :: PULSETIME ! time of pulse start\n\nC External functions:\n\nC Local variable\n INTEGER PTYPE_TEST\n\nC-----------------------------------------------------------------------\n\nC Summary of algorithm\nC 1. if no rainfall or new rainfall class less than current one, continue\nC existing NO emission pulse\nC 2. if new rainfall that increases rainfall class, then create new NO\nC emission pulse using pulsetype, rainrate, ptype, and date/time -\nC if stronger NO pulse compared to previous time step, then start\nC a new NO emission pulse\n\n PTYPE_TEST = PULSETYPE( RAIN )\n IF ( PTYPE_TEST .GT. PTYPE ) THEN ! Rainfall class type increases\n PULSEDATE = JDATE ! (NO emission pulse generated)\n PULSETIME = JTIME\n PTYPE = PTYPE_TEST\n END IF\n\n PRECIP_ADJ = PRECIPFAC( JDATE, JTIME, PULSEDATE, PULSETIME, PTYPE )\n\n RETURN\n \n END FUNCTION PRECIP_ADJ\n\nC-----------------------------------------------------------------------\n\n REAL FUNCTION FERTILIZER_ADJ( DATE )\n\nC Compute a fertilizer adjustment factor for the given date in yyyyddd format.\nC If it is not growing season, the adjustment factor is 0; otherwise, it\nC ranges from 0.0 to 1.0.\n\n IMPLICIT NONE\n \nC Function arguments:\n INTEGER, INTENT( IN ) :: DATE\n\nC Local variables:\n INTEGER GDAY\n\nC-----------------------------------------------------------------------\n\n GDAY = GROWSEASON( DATE )\n \n IF ( GDAY .EQ. 0 ) THEN\n FERTILIZER_ADJ = 0.0\n ELSE IF ( GDAY .GE. 1 .AND. GDAY .LT. 30 ) THEN ! first month of growing season\n FERTILIZER_ADJ = 1.0\n ELSE IF ( GDAY .GE. 30 ) THEN\n FERTILIZER_ADJ = 1.0 + 30.0 / 184.0 - FLOAT( GDAY ) / 184.0\n ELSE\n WRITE( MESG,94010 ) 'Invalid date specified; date = ', DATE,\n & 'growing season day = ', GDAY\n CALL M3EXIT( PNAME, 0, 0, MESG, 2 )\n END IF\n\n94010 FORMAT( A, I8, 1X, A, I3 )\n \n RETURN\n \n END FUNCTION FERTILIZER_ADJ\n\nC-----------------------------------------------------------------------\n\n REAL FUNCTION VEG_ADJ( DATE )\n\nC Compute a vegetation adjustment factor for the given date in yyyyddd format.\nC The adjustment factor ranges from 0.5 to 1.0.\n\n IMPLICIT NONE\n \nC Function arguments:\n INTEGER, INTENT( IN ) :: DATE\n\nC Local variables:\n INTEGER GDAY\n\nC-----------------------------------------------------------------------\n\n GDAY = GROWSEASON( DATE )\n \n IF ( GDAY .LE. 30 ) THEN\n VEG_ADJ = 1.0\n ELSE IF ( GDAY .GT. 30 .AND. GDAY .LT. 60 ) THEN\n VEG_ADJ = 1.5 - ( FLOAT( GDAY ) / 60.0 )\n ELSE IF ( GDAY .GE. 60 ) THEN\n VEG_ADJ = 0.5\n ELSE\n WRITE( MESG,94010 ) 'Invalid date specified; date = ', DATE,\n & 'growing season day = ', GDAY\n CALL M3EXIT( PNAME, 0, 0, MESG, 2 )\n END IF\n\n94010 FORMAT( A, I8, 1X, A, I3 )\n\n RETURN\n \n END FUNCTION VEG_ADJ\n \nC-----------------------------------------------------------------------\n\n INTEGER FUNCTION GROWSEASON( DATE )\n\nC Compute the day of the growing season corresponding to the given date\nC in yyyyddd format.\n\n USE UTILIO_DEFN\n\n IMPLICIT NONE\n \nC Function arguments:\n INTEGER, INTENT( IN ) :: DATE ! YYYYDDD\n\nC External functions:\n\nC Parameters:\n INTEGER, PARAMETER :: GSTART_MONTH = 04 ! April\n INTEGER, PARAMETER :: GSTART_DAY = 01\n INTEGER, PARAMETER :: GEND_MONTH = 10 ! October\n INTEGER, PARAMETER :: GEND_DAY = 31\n\nC Local variables:\n INTEGER YEAR, MONTH, DAY\n INTEGER JDAY, GDAY\n INTEGER GSJULIAN_START\n INTEGER GSJULIAN_END\n \nC-----------------------------------------------------------------------\n\n YEAR = INT( FLOAT( DATE ) / 1000.0 )\n JDAY = DATE - YEAR * 1000\n \n GSJULIAN_START = JULIAN( YEAR, GSTART_MONTH, GSTART_DAY )\n GSJULIAN_END = JULIAN( YEAR, GEND_MONTH, GEND_DAY )\n \n IF ( JDAY .GE. GSJULIAN_START .AND. JDAY .LE. GSJULIAN_END ) THEN\n GROWSEASON = JDAY - GSJULIAN_START + 1 ! growing season\n ELSE IF ( JDAY .GE. 1 .AND. JDAY .LE. 366 ) THEN\n GROWSEASON = 0 ! before or after growing season\n ELSE\n WRITE( MESG,94010 ) 'Invalid date specified; date = ', DATE,\n & 'jday = ', JDAY\n CALL M3EXIT( PNAME, 0, 0, MESG, 2 )\n END IF\n\n94010 FORMAT( A, I8, 1X, A, I3 )\n\n RETURN\n\n END FUNCTION GROWSEASON\n\nC-----------------------------------------------------------------------\n\n REAL FUNCTION PRECIPFAC( JDATE, JTIME, PDATE, PTIME, PTYPE )\n\nC Compute a precipitation adjustment factor from a previous 24 hour rainfall\nC based on YL 1995\nC The pulse type is an integer ranging from 0 to 3 indicating the type of\nC rainfall rate:\nC If rainfall < 0.1 cm in last 24 hr, \"reset\"\nC Else if rainfall < 0.5 cm in last 24 hr, and time since last pulse is .ge. 2 days,\nC reset; else, precipfact=11.19*...\nC Else if rainfall < 1.5 cm in last 24 hr, and time since last pulse is .ge. 6 days,\nC reset; else, precipfact=14.68*...\nC Else if rainfall >=1.5 cm in last 24 hr, and time since last pulse is .ge. 13 days,\nC reset; else, precipfact=18.46*...\n\n USE UTILIO_DEFN\n\n IMPLICIT NONE\n \nC Function arguments:\n INTEGER, INTENT( IN ) :: JDATE, JTIME, PDATE, PTIME\n INTEGER, INTENT( INOUT ) :: PTYPE\n \nC External functions:\n\nC Parameters:\n REAL, PARAMETER :: DAYPERSEC = 1.0 / ( 24.0 * 3600.0 ) ! = 0.000011574074074\n\nC Local variables:\n REAL DAYDIFF, DAYDIF1\n \nC-----------------------------------------------------------------------\n\n DAYDIFF = FLOAT( SECSDIFF( PDATE, PTIME, JDATE, JTIME ) ) * DAYPERSEC\n DAYDIF1 = DAYDIFF + 1.0\n \n SELECT CASE( PTYPE )\n CASE( 0 )\n PRECIPFAC = 1.0\n CASE( 1 )\n IF ( ( DAYDIFF ) .LT. 2.0 ) THEN\n PRECIPFAC = 11.19 * EXP( -0.805 * DAYDIF1 )\n ELSE\n PTYPE = 0\n PRECIPFAC = 1.0\n END IF\n CASE( 2 )\n IF ( ( DAYDIFF ) .LT. 6.0 ) THEN\n PRECIPFAC = 14.68 * EXP( -0.384 * DAYDIF1 )\n ELSE\n PTYPE = 0\n PRECIPFAC = 1.0\n END IF\n CASE( 3 )\n IF ( ( DAYDIFF ) .LT. 13.0 ) THEN\n PRECIPFAC = 18.46 * EXP( -0.208 * DAYDIF1 )\n ELSE\n PTYPE = 0\n PRECIPFAC = 1.0\n END IF\n CASE DEFAULT\n WRITE( MESG,'( A, I6 )' ) 'Invalid Pulse Type specified ',\n & PTYPE\n CALL M3EXIT( PNAME, 0, 0, MESG, 2 )\n END SELECT\n \n RETURN\n \n END FUNCTION PRECIPFAC\n \nC-----------------------------------------------------------------------\n\n INTEGER FUNCTION PULSETYPE( RAIN )\n\nC Compute the pulse type from the rainfall rate (see YL 1995).\n\n IMPLICIT NONE\n \nC Function arguments\n REAL, INTENT( IN ) :: RAIN ! [cm/24hr]\n \nC-----------------------------------------------------------------------\n\n IF ( RAIN .LT. 0.1 ) THEN\n PULSETYPE = 0\n ELSE IF ( RAIN .LT. 0.5 ) THEN\n PULSETYPE = 1\n ELSE IF ( RAIN .LT. 1.5 ) THEN\n PULSETYPE = 2\n ELSE\n PULSETYPE = 3\n END IF\n \n RETURN\n \n END FUNCTION PULSETYPE\n\nC-----------------------------------------------------------------------\n\n END SUBROUTINE HRNO\n\n" }, { "path": "CCTM/src/biog/beis4/parsline.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/CCTM/src/biog/beis3/parsline.f,v 1.3 2011/10/21 16:10:18 yoj Exp $\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n\n SUBROUTINE PARSLINE( LINE, N, SEGMENT )\n\nC-----------------------------------------------------------------------\nC Description:\nC Separates a \"list-formatted\" line of strings in which\nC the segments may or may not have quotes. Although fortran requires\nC the quotes for true list-formatting, this subroutine can be used when\nC the quotes are only present to enclose a character (such as space, comma,\nC or semi-colon) that would otherwise be a delimiter. If an \"!\" is \nC encountered, everything after it is treated as a comment.\n \nC Preconditions:\n \nC Subroutines and Functions Called:\n \nC Revision History:\nC Created by M. Houyoux 3/99\nC 02/11: S.Roselle-Replaced I/O API include files with UTILIO_DEFN\nC 01/14: D.Wong-Reduced NDELIM to 3 and use only 3 delimiters (comma, blank\nC space and semicolon) since it only deals with one character when calling\nC FINDC. DELIMLST is now standard compliant (gfortran happy)\nC 02/19: D.Wong-removed some unnecessary calculation\n \nC-----------------------------------------------------------------------\nC Modified from:\n\nC Project Title: EDSS Tools Library\nC File: @(#)$Id: parsline.f,v 1.3 2011/10/21 16:10:18 yoj Exp $\nC COPYRIGHT (C) 2004, Environmental Modeling for Policy Development\nC All Rights Reserved\nC Carolina Environmental Program\nC University of North Carolina at Chapel Hill\nC 137 E. Franklin St., CB# 6116\nC Chapel Hill, NC 27599-6116\nC smoke@unc.edu\nC Pathname: $Source: /project/yoj/arc/CCTM/src/biog/beis3/parsline.f,v $\nC Last updated: $Date: 2011/10/21 16:10:18 $ \nC-----------------------------------------------------------------------\n\n USE UTILIO_DEFN\n\n IMPLICIT NONE\n\nC Arguments:\n CHARACTER( * ), INTENT ( IN ) :: LINE ! character string to parse\n INTEGER, INTENT ( IN ) :: N ! no. of segments to parse (\"fields\")\n CHARACTER( * ), INTENT( OUT ) :: SEGMENT( N ) ! parsed string\n\nC External Functions:\n\nC Local parameters:\n INTEGER, PARAMETER :: NDELIM = 3\n! CHARACTER, PARAMETER :: DELIMLST( NDELIM ) = (/ ',', ' ', ';' /)\n CHARACTER, PARAMETER :: DELIMLST( NDELIM ) = (/ ' ', ',', ';' /)\n\nC Arrays for sorting non-delimiters on a per-machine basis:\n! INTEGER NDINDX ( NDELIM )\n! CHARACTER, SAVE :: DELIMSRT( NDELIM )\n\nC Other local variables:\n INTEGER I, J, L, L1, L2 ! counters and indices\n INTEGER IXP ! index to non-delimiters\n INTEGER NCNT ! count of fields\n\n LOGICAL ALPHA ! true when within alpha-numeric \n LOGICAL DELIM ! true when within or past delimiter \n LOGICAL :: PREVDELIM = .TRUE. ! true when last char was a delim\n LOGICAL NUMBER ! true when within number in string \n LOGICAL QUOTED ! true when within quotes in string\n LOGICAL ISANMBR ! true if character is a numeral\n LOGICAL, SAVE :: FIRSTIME = .TRUE. ! true first time routine is called\n\n CHARACTER CBUF ! test buffer\n CHARACTER :: DOUBLEQ = '\"'\n CHARACTER :: SINGLEQ = \"'\"\n CHARACTER :: PERIOD = '.'\n CHARACTER :: SPACE = ' '\n CHARACTER QUOTVAL ! value of starting quote\n\n CHARACTER( 300 ) :: MESG ! message buffer\n CHARACTER( 16 ) :: PNAME = 'PARSLINE' ! procedure name\n\nC-----------------------------------------------------------------------\n\nC The first time the routine is called, sort the list of delimiters\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n! DO I = 1, NDELIM \n! NDINDX( I ) = I\n! END DO\n\n! print *, ' ==d== insert a ', DELIMLST\n! CALL SORTIC( NDELIM, NDINDX, DELIMLST )\n! print *, ' ==d== insert b ', DELIMLST\n\n! DO I = 1, NDELIM \n! J = NDINDX( I )\n! DELIMSRT( I ) = DELIMLST( J )\n! END DO\n\n! print *, ' ==d== insert c ', DELIMSRT\n\n! DELIMSRT = DELIMLST\n\n END IF\n\n L2 = LEN_TRIM( LINE )\n\nC Check for comments, and use to set the end of the line\n L = INDEX( LINE( 1:L2 ), '!' )\n\n IF ( L .LE. 0 ) THEN\n L = L2\n ELSE\n L = L - 1\n END IF\n\nC Skip blank lines\n IF ( L .EQ. 0 ) RETURN\n\nC Initialize count, flags, and segments (note, initializing in the variable\nC definitions is insufficient)\n NCNT = 0\n SEGMENT = ' ' ! array\n ALPHA = .FALSE.\n DELIM = .TRUE.\n NUMBER = .FALSE.\n QUOTED = .FALSE.\n\nC Process LINE one character at a time\n DO I = 1, L\n\n CBUF = LINE( I:I )\n\nC Look for character in delimiters\n IXP = FINDC( CBUF, NDELIM, DELIMLST )\n\nC Evaluate the current character for number or not\n ISANMBR = ( CBUF .GE. '0' .AND. CBUF .LE. '9' )\n\nC Waiting for next field...\n IF ( DELIM ) THEN\n\n NUMBER = ISANMBR\n ALPHA = ( .NOT. NUMBER .AND. IXP .LE. 0 )\n\n IF ( CBUF .EQ. SINGLEQ ) THEN\n QUOTED = .TRUE.\n DELIM = .FALSE.\n QUOTVAL = SINGLEQ\n PREVDELIM = .FALSE.\n L1 = I + 1\n NCNT = NCNT + 1\n\n ELSE IF ( CBUF .EQ. DOUBLEQ ) THEN\n QUOTED = .TRUE.\n DELIM = .FALSE.\n QUOTVAL = DOUBLEQ\n PREVDELIM = .FALSE.\n L1 = I + 1\n NCNT = NCNT + 1\n\n ELSE IF ( ALPHA .OR. NUMBER ) THEN\n DELIM = .FALSE.\n PREVDELIM = .FALSE.\n L1 = I\n NCNT = NCNT + 1\n\nC If another delimeter, then another field, but last field was blank\nC UNLESS delim is a space\n ELSE IF ( CBUF .NE. SPACE ) THEN\n IF ( PREVDELIM ) THEN\n NCNT = NCNT + 1\n ELSE\n PREVDELIM = .TRUE.\n END IF\n END IF ! Else its a space delimiter\n\nC In a quoted field, skip everything unless it is an end quote\n ELSE IF ( QUOTED ) THEN\n IF ( CBUF .EQ. QUOTVAL ) THEN\n QUOTED = .FALSE.\n DELIM = .TRUE.\n PREVDELIM = .FALSE.\n L2 = I - 1\n CALL STORE_SEGMENT( NCNT, N, L1, L2, LINE, SEGMENT( NCNT ) )\n END IF\n\nC If start of field was a number, but adjacent character is not a delimiter,\nC then turn field into an alpha\n ELSE IF ( NUMBER .AND. .NOT. ISANMBR .AND. IXP .LE. 0 ) THEN\n ALPHA = .TRUE.\n NUMBER = .FALSE.\n\nC If start of field was a number or alpha, and this is a delimiter, then end\nC of number has been reached\n ELSE IF ( IXP .GT. 0 ) THEN\n ALPHA = .FALSE.\n NUMBER = .FALSE.\n DELIM = .TRUE.\n PREVDELIM = .TRUE.\n L2 = I - 1\n CALL STORE_SEGMENT( NCNT, N, L1, L2, LINE, SEGMENT( NCNT ) )\n END IF\n\n END DO\n\nC Store final segment\n IF ( CBUF .EQ. QUOTVAL ) L = L - 1\n L2 = L\n\n IF ( IXP .LE. 0 ) THEN\n CALL STORE_SEGMENT( NCNT, N, L1, L2, LINE, SEGMENT( NCNT ) )\n END IF\n\n RETURN\n\nC-------------------- Format Statements --------------------------------\n\n94010 FORMAT( 10( A, :, I8, :, 1X ) )\n\nC------------------- Internal Subprogram -------------------------------\n\n CONTAINS\n\nC Store the segment from the input string\n SUBROUTINE STORE_SEGMENT( NSEG, MXSEG, I1, I2, STRNG, SEGMNT )\n\n IMPLICIT NONE\n\n INTEGER, INTENT( IN ) :: NSEG, MXSEG, I1, I2\n CHARACTER( * ), INTENT( IN ) :: STRNG ! character string to parse\n CHARACTER( * ), INTENT( OUT ) :: SEGMNT ! parsed string\n\n CHARACTER( 128 ) :: MESG = ' '\n CHARACTER( 16 ) :: PNAME = 'PARSLINE_STORE_S' ! procedure name\n\n IF ( NSEG .LE. MXSEG ) THEN\n\n SEGMNT = ADJUSTL( STRNG( I1:I2 ) )\n\n ELSE\n\n MESG = 'ERROR: Overflow prevented while ' //\n & 'parsing line ' // PNAME\n CALL M3MSG2( MESG )\n MESG = 'First 200 characters of line contents are:'\n CALL M3MSG2( MESG )\n MESG = STRNG( 1:200 )\n CALL M3MSG2( MESG )\n\n MESG = 'Formatting problem'\n CALL M3EXIT( PNAME, 0, 0, MESG, 2 )\n\n END IF\n\n END SUBROUTINE STORE_SEGMENT\n\n END SUBROUTINE PARSLINE\n" }, { "path": "CCTM/src/biog/beis4/tmpbeis.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE TMPBEIS( JDATE, JTIME, TSTEP, BEIS_MAP, EMISL, L_DESID_DIAG )\n\nC-----------------------------------------------------------------------\n \nC Description:\nC Computes hourly time stepped gridded biogenic emissions using \nC normalized gridded emissions from Normbeis3 (3.12) and postprocessed MM5\nC meteorology.\n \nC Preconditions:\nC Postprocessed MM5 meteorology that contains temperature, \nC solar radiation, and pressure data. \nC Normalized gridded emissions BEIS_NORM_EMIS from Normbeis \n \nC Subroutines and Functions Called:\nC BEIS, HRNO, \nC CURRSTEP, HHMMSS, UPCASE, CHECKMEM, M3EXIT, M3MSG2,\nC WRITE3, OPEN3, CLOSE3, NEXTIME, TIME2SEC\n \nC Revision History:\nC 3/01: Prototype by Jeff Vukovich\nC Tested only on 36km Lambert domain \nC Summer/winter switch file option not tested\nC 8/04: Updated for BEIS v3.12\nC 10/06: J.Young - CMAQ inline\nC - assumes first call is scenario start date/time\nC - optional integral average mass diagnostic emissions file\nC 10/09: J.Young - intel compiler problem; move last EMISS calculation as\nC separate assignment\nC 01/10: J.Young - move soil NO data and required input data processing to hrno\nC 01/10: D. Wong - Eliminate potential race condition at the MYPE = 0\nC to open the diagnostic file. Eliminate the BARRIER\nC and the CLOSE3 and OPEN3.\nC 02/11: S.Roselle-Replaced I/O API include files with UTILIO_DEFN\nC 05/11: D.Wong-incorporated twoway model implementation\nC 07/14: J.Bash-Added meteorological variables needed for leaf temperature\nC calculations.\nC 08/14: J.Bash-Added backwards compatibility for earlier versions of MCIP\nC 07 Nov 14 J.Bash: Updated for the ASX_DATA_MOD shared data module. \nC 12 Aug 15 D.Wong: Replaced MYPE with IO_PE_INCLUSIVE for parallel I/O implementation\nC 07 May 18 D. Schwede: Removed call to CZANGLE. COSZEN now calculated in ASX_DATA_MOD\nC 01 Feb 19 D. Wong: Implemented centralized I/O approach, removed all MY_N clauses\nC-----------------------------------------------------------------------\nC Modified from:\n \nC Project Title: Sparse Matrix Operator Kernel Emissions (SMOKE) Modeling\nC System\nC File: @(#)$Id: tmpbeis.F,v 1.6 2011/10/21 16:10:18 yoj Exp $\nC COPYRIGHT (C) 2004, Environmental Modeling for Policy Development\nC All Rights Reserved\nC Carolina Environmental Program\nC University of North Carolina at Chapel Hill\nC 137 E. Franklin St., CB# 6116\nC Chapel Hill, NC 27599-6116\nC smoke@unc.edu\nC Pathname: $Source: /project/yoj/arc/CCTM/src/biog/beis3/tmpbeis.F,v $\nC Last updated: $Date: 2011/10/21 16:10:18 $ \nC-----------------------------------------------------------------------\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE UTILIO_DEFN\n USE BIOG_EMIS ! beis\n USE centralized_io_module, only : AVGEMIS, interpolate_var\n Use ASX_DATA_MOD, only: MET_DATA\n\n#ifdef mpas\n USE util_module, only : hhmmss, time2sec\n#else\n#ifdef parallel\n USE SE_MODULES ! stenex (using SE_UTIL_MODULE)\n#else\n USE NOOP_MODULES ! stenex (using NOOP_UTIL_MODULE)\n#endif\n#endif\n\n IMPLICIT NONE\n\nC Includes:\n \nC Arguments:\n INTEGER, INTENT( IN ) :: JDATE ! current simulation date (YYYYDDD)\n INTEGER, INTENT( IN ) :: JTIME ! current simulation time (HHMMSS)\n INTEGER, INTENT( IN ) :: TSTEP( 3 ) ! timestep vector\n INTEGER, INTENT( IN ) :: BEIS_MAP( : ) ! mapping from beis3 to model species\n REAL, INTENT( OUT ) :: EMISL( :,:,: ) ! emissions in moles/sec\n LOGICAL, INTENT( IN ) :: L_DESID_DIAG ! flag determining whether or not DESID\n ! is in diagnostic mode \n\n\nC External Functions\n LOGICAL, EXTERNAL :: CHKGRID\n\nC Parameters:\n REAL, PARAMETER :: HR2SEC = 1.0 / 3600.0\n\nC Gridded meteorology data:\n REAL, ALLOCATABLE, SAVE :: FSEAS( :,: ) ! Seasonal function\n\nC Gridded normalized emissions:\n REAL, ALLOCATABLE, SAVE :: SEMIS( :,:,: ) ! Normailized Beis emissions\n\nC Mole and mass factors:\n REAL MLFC, MSFC, EMPL\n\nC Diagnostic file avg factor\n REAL DIVFAC\n\nC BEIS3 internal, output species:\n REAL, ALLOCATABLE, SAVE :: EMPOL( :,:,: ) ! emissions of biogenic emissions (mechanism specific)\n REAL, ALLOCATABLE, SAVE :: BIPOL( :,:,: ) ! emissions of beis emissions (all beis BVOCs)\n REAL, ALLOCATABLE, SAVE :: NOPOL( :,: ) ! emissions of NO\n REAL, ALLOCATABLE, SAVE :: EMISS( :,:,: ) ! emissions in g/s\n\nC Logical names and unit numbers:\n \n CHARACTER( 16 ), SAVE :: SNAME ! logical name for diagnostic emis output (mass)\n CHARACTER( 16 ), SAVE :: NNAME ! logical name for normalized-emissions input\n CHARACTER( 16 ), SAVE :: GNAME ! logical name for GRID_CRO_2D\n CHARACTER( 16 ), SAVE :: BNAME ! logical name for frost switch input\n CHARACTER( 16 ), SAVE :: MNAME ! logical name for MET_CRO_2D\n\nC Other variables:\n INTEGER, SAVE :: IHR ! current simulation hour\n INTEGER IOS ! IO or memory allocation status\n INTEGER, SAVE :: LDATE ! previous simulation date\n INTEGER, SAVE :: MDATE ! test date to update beis diag avg\n INTEGER, SAVE :: MTIME ! test time to update beis diag avg\n INTEGER, SAVE :: NSTEPS ! run duration\n INTEGER, SAVE :: WSTEP = 0 ! local write counter\n INTEGER PARTYPE ! method number to calculate PAR\n INTEGER C, R, I, J, K, S ! loop counters and subscripts\n\n LOGICAL OK ! check flag\n LOGICAL, SAVE :: LASTTIC ! true: last sync step this output tstep\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n\n CHARACTER( 256 ) :: MESG ! message buffer\n CHARACTER( 256 ) :: EQNAME ! equivalent filename\n CHARACTER( 16 ) :: VAR ! variable name\n CHARACTER( 16 ) :: PNAME = 'TMPBEIS' ! prodedure name\n\n#ifdef verbose_tmpbeis\n REAL, ALLOCATABLE, SAVE :: EMISX( : )\n INTEGER, ALLOCATABLE, SAVE :: CX( : ), RX( : )\n#endif\n\n INTERFACE\n SUBROUTINE BEIS( JDATE, JTIME, NX, NY, MSPCS, SEMIS, BIPOL )\n INTEGER, INTENT( IN ) :: JDATE\n INTEGER, INTENT( IN ) :: JTIME\n INTEGER, INTENT( IN ) :: NX\n INTEGER, INTENT( IN ) :: NY\n INTEGER, INTENT( IN ) :: MSPCS\n REAL, INTENT( IN ) :: SEMIS ( :,:,: )\n REAL, INTENT( OUT ) :: BIPOL( :,:,: )\n END SUBROUTINE BEIS\n SUBROUTINE HRNO( JDATE, JTIME, TSTEP, NOPOL, L_DESID_DIAG )\n INTEGER, INTENT( IN ) :: JDATE\n INTEGER, INTENT( IN ) :: JTIME\n INTEGER, INTENT( IN ) :: TSTEP( 3 )\n REAL, INTENT( OUT ) :: NOPOL( :,: )\n LOGICAL, INTENT( IN ) :: L_DESID_DIAG\n END SUBROUTINE HRNO\n END INTERFACE\n\nC-----------------------------------------------------------------------\n\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n\nC Determine last timestamp\n NSTEPS = RUNLEN / TSTEP( 1 ) ! initscen guarantees divisibility\n\nC Allocate seasonality array\n ALLOCATE( FSEAS( NCOLS,NROWS ), STAT=IOS )\n CALL CHECKMEM( IOS, 'FSEAS', PNAME )\n FSEAS = 0 ! array\n\n#ifndef mpas\nC Ensure met data time and grid for this run match beis emissions data files\n MNAME = PROMPTMFILE( \n & 'Enter name for gridded met input file',\n & FSREAD3, 'MET_CRO_2D', PNAME )\n\nC Get description of met file \n IF ( .NOT. DESC3( MNAME ) ) THEN\n MESG = 'Could not get description of file \"'\n & // TRIM( MNAME ) // '\"'\n CALL M3EXIT( PNAME, JDATE, JTIME, MESG, XSTAT2 )\n END IF\n\nC Check that grid description matches BGRD file\n IF ( .NOT. CHKGRID( MNAME ) ) THEN\n MESG = 'Grid in file \"' // TRIM( MNAME )\n & // '\" does not match previously set grid.'\n CALL M3WARN( PNAME, 0, 0, MESG )\n END IF\n\n IF ( BEMIS_DIAG ) THEN\nC Build description for, and open beis diagnostic file\n MDATE = STDATE; MTIME = STTIME\n CALL NEXTIME( MDATE, MTIME, TSTEP( 1 ) )\n\n GDNAM3D = GRID_NAME ! from HGRD_DEFN\n SDATE3D = MDATE\n STIME3D = MTIME\n TSTEP3D = TSTEP( 1 )\n NCOLS3D = GL_NCOLS\n NROWS3D = GL_NROWS\n NLAYS3D = 1\n NTHIK3D = 1\n GDTYP3D = GDTYP_GD\n P_ALP3D = P_ALP_GD\n P_BET3D = P_BET_GD\n P_GAM3D = P_GAM_GD\n XORIG3D = XORIG_GD\n YORIG3D = YORIG_GD\n XCENT3D = XCENT_GD\n YCENT3D = YCENT_GD\n XCELL3D = XCELL_GD\n YCELL3D = YCELL_GD\n VGTYP3D = VGTYP_GD\n VGTOP3D = VGTOP_GD\n\n DO I = 1, NLAYS3D + 1\n VGLVS3D( I ) = VGLVS_GD( I )\n END DO\n \n\n J = 0\n DO I = 1, MSPCS\n IF ( BEIS_MAP( I ) .GT. 0 ) THEN\n J = J + 1\n VNAME3D( J ) = EMSPC( I )\n VDESC3D( J ) = 'biogenic emissions of the indicated species'\n VTYPE3D( J ) = M3REAL\n UNITS3D( J ) = 'gm s-1'\n END IF\n END DO\n\n NVARS3D = J\n FDESC3D = ' ' ! array\n\n FDESC3D( 1 ) = 'Gridded biogenic emissions from CMAQ-BEIS3'\n FDESC3D( 2 ) = '/from/ ' // PNAME\n FDESC3D( 3 ) = '/Version/ CMAQ'\n\nC Open mass output file (tons/hour)\n\n SNAME = 'B3GTS_S'\n CALL SUBST_BARRIER\n IF ( IO_PE_INCLUSIVE ) THEN\n IF ( .NOT. OPEN3( SNAME, FSNEW3, PNAME ) ) THEN\n MESG = 'Could not open \"' // TRIM( SNAME ) // '\" file'\n CALL M3EXIT( PNAME, JDATE, JTIME, MESG, XSTAT1 )\n END IF\n END IF\n\n END IF\n#endif\n\nC Allocate memory for arrays\n \n ALLOCATE( EMPOL( NCOLS,NROWS,NSEF ), STAT=IOS )\n CALL CHECKMEM( IOS, 'EMPOL', PNAME )\n\n ALLOCATE( BIPOL( NCOLS,NROWS,NSEF-1 ), STAT=IOS )\n CALL CHECKMEM( IOS, 'BIPOL', PNAME )\n\n ALLOCATE( NOPOL( NCOLS,NROWS ), STAT=IOS )\n CALL CHECKMEM( IOS, 'NOPOL', PNAME )\n\n IF ( BEMIS_DIAG ) THEN\n ALLOCATE( EMISS( NCOLS,NROWS,MSPCS ), STAT=IOS )\n CALL CHECKMEM( IOS, 'EMISS', PNAME )\n END IF\n\n ALLOCATE( SEMIS( NCOLS,NROWS,NSEF-1 ), STAT=IOS )\n CALL CHECKMEM( IOS, 'SEMIS', PNAME )\n\n LDATE = 0\n\n#ifdef verbose_tmpbeis\n ALLOCATE( EMISX( MSPCS ), STAT=IOS )\n CALL CHECKMEM( IOS, 'EMISX', PNAME )\n ALLOCATE( CX( MSPCS ), STAT=IOS )\n CALL CHECKMEM( IOS, 'CX', PNAME )\n ALLOCATE( RX( MSPCS ), STAT=IOS )\n CALL CHECKMEM( IOS, 'RX', PNAME )\n#endif\n\n#ifndef mpas\n IF ( BEMIS_DIAG ) THEN\n EMISS = 0.0 ! array\n#ifdef parallel_io\n IF ( .NOT. IO_PE_INCLUSIVE ) THEN\n IF ( .NOT. OPEN3( SNAME, FSREAD3, PNAME ) ) THEN\n MESG = 'Could not open ' // TRIM(SNAME)\n CALL M3EXIT( PNAME, JDATE, JTIME, MESG, XSTAT2 )\n END IF\n END IF\n#endif\n END IF\n#endif\n\n END IF ! FIRSTIME\n\nC Loop thru the number of time steps (hourly)\n\n EMISL = 0.0 ! array\n EMPOL = 0.0 ! array\n#ifdef verbose_tmpbeis\n EMISX = 0.0 ! array\n#endif\n\n IF ( JDATE .NE. LDATE ) THEN\n\n CALL WRDAYMSG( JDATE, MESG ) \n\nC calculate fseas based on deep soil temperature following WRF 3.8.1 PX \n Where( Met_Data%SOIT2 .Lt. 290.0 .And. Met_Data%SOIT2 .Gt. 282.0 )\n FSEAS = 1.0 - 0.015625 * ( 290.0 - Met_Data%SOIT2 ) ** 2\n Elsewhere( Met_Data%SOIT2 .Ge. 290.0 )\n FSEAS = 1.0\n Elsewhere\n FSEAS = 0.0\n End where\n\n DO S = 1, NSEF-1 ! normalized emission factors\n SEMIS( :,:,S ) = FSEAS * AVGEMIS( :,:,S,NSUMMER ) + ! Deciduous fraction\n & ( 1.0 - FSEAS ) * AVGEMIS( :,:,S,NWINTER ) ! Evergreen fraction\n END DO\n\n END IF ! if new day\n\n WRITE( MESG,94030 ) HHMMSS( JTIME )\n CALL M3MSG2( MESG )\n\n#ifndef mpas\nC repopulate the met_cro_2d variable attributes\n IF ( .NOT. DESC3( MNAME ) ) THEN\n MESG = 'Could not get description of file \"'\n & // TRIM( MNAME ) // '\"'\n CALL M3EXIT( PNAME, JDATE, JTIME, MESG, XSTAT2 )\n END IF\n#endif\n\nC Calculate temporal non-speciated beis emissions\n CALL BEIS( JDATE, JTIME, NCOLS, NROWS, MSPCS, SEMIS, BIPOL )\n\nC Calculate temporal non-speciated soil NO emissions\n CALL HRNO( JDATE, JTIME, TSTEP, NOPOL, L_DESID_DIAG )\n\n EMPOL( :,:,1:NSEF-1 ) = BIPOL\n EMPOL( :,:,NSEF ) = NOPOL\n\nC Speciate emissions\n DO K = 1, NSEF\n DO R = 1, NROWS\n DO C = 1, NCOLS\n EMPL = EMPOL( C,R,K ) * HR2SEC\n IF ( EMPL .GT. 0.0 ) \n & EMISL( :,C,R ) = EMISL( :,C,R ) + EMPL * MLFAC( :,K )\n END DO\n END DO\n END DO\n\n#ifdef verbose_tmpbeis\n WRITE( LOGDEV,* ) ' '\n WRITE( LOGDEV,* ) ' from TMPBEIS'\n WRITE( LOGDEV,* ) ' Spc EMISL MaxC MaxR'\n DO S = 1, MSPCS\n WRITE( LOGDEV,'( 4X, I3, F10.5, 2I4 )' ) S, EMISX( S ), CX( S ), RX( S )\n END DO\n\n EMISX = 0.0 ! array\n WRITE( LOGDEV,* ) ' '\n WRITE( LOGDEV,* ) ' from TMPBEIS'\n WRITE( LOGDEV,* ) ' Spc SpcName Pol MLFAC EMPOL EMISL( Spc,32,7 )'\n C = 32; R = 7\n DO K = 1, NSEF\n EMPL = EMPOL( C,R,K ) * HR2SEC\n IF ( EMPL .LE. 0.0 ) CYCLE\n DO S = 1, MSPCS\n IF ( BEIS_MAP( S ) .GT. 0 ) THEN\n MLFC = MLFAC( S,K )\n EMISX( S ) = EMISX( S ) + EMPL * MLFC\n IF ( MLFC .NE. 0.0 )\n & WRITE( LOGDEV,'( 4X, I3, 2X, A6, 2X, I3, 1X, 3( 1PE10.3 ) )' )\n & S, EMSPC( S ), K, MLFC, EMPL, EMISX( S )\n END IF\n END DO\n END DO\n#endif\n\n IF ( BEMIS_DIAG .AND. .NOT. L_DESID_DIAG ) THEN\n WSTEP = WSTEP + TIME2SEC( TSTEP( 2 ) )\n LASTTIC = ( WSTEP .GE. TIME2SEC( TSTEP( 1 ) ) )\n\n#ifndef mpas\n DO K = 1, NSEF\n DO S = 1, MSPCS\n! Unit conversion for the emission and fraction of the sync time step to the output time step\n MSFC = MSFAC( S,K ) * FLOAT( TIME2SEC( TSTEP( 2 ) ) ) / FLOAT( TIME2SEC( TSTEP( 1 ) ) )\n! Add the emission for the model output time step\n EMISS( :,:,S ) = EMISS( :,:,S ) + EMPOL( :,:,K ) * MSFC\n END DO\n END DO\n IF ( LASTTIC ) THEN\n EMISS = EMISS * HR2SEC ! convert from gm/h to gm/s\n DO S = 1,MSPCS\n IF ( BEIS_MAP( S ) .GT. 0 ) THEN\n IF ( .NOT. WRITE3( SNAME, EMSPC( S ), MDATE, MTIME, EMISS(:,:,S) ) ) THEN\n MESG = 'Could not write to output file \"' // TRIM( SNAME ) // '\"'\n CALL M3EXIT( PNAME, JDATE, JTIME, MESG, XSTAT2 )\n END IF\n END IF\n END DO\n WRITE( LOGDEV,94040 )\n & 'Timestep written to', SNAME,\n & 'for date and time', MDATE, MTIME\n EMISS = 0.0 ! array\n WSTEP = 0\n CALL NEXTIME( MDATE, MTIME, TSTEP( 1 ) )\n END IF\n END IF\n#endif\n\nC Save date\n LDATE = JDATE\n\n RETURN\n\nC------------------ FORMAT STATEMENTS ------------------------------\n\n94010 FORMAT( 10( A, ':', I8, ':', 1X ) )\n94020 FORMAT( 1X, I7, \":\", I6.7 )\n94030 FORMAT( 5X, 'Temporal BEIS at time ', A8 )\n94040 FORMAT( /5X, 3( A, :, 1X ), I8, \":\", I6.6 )\n\n END SUBROUTINE TMPBEIS \n\n" }, { "path": "CCTM/src/biog/beis4/wrdaymsg.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/CCTM/src/biog/beis3/wrdaymsg.f,v 1.3 2011/10/21 16:10:18 yoj Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE WRDAYMSG( JDATE, MESG )\n\nC-----------------------------------------------------------------------\nC Description:\nC Writes a text message to stdout and log file about which day is\nC being processed\nC Preconditions:\nC Subroutines and Functions Called:\nC Revision History:\nC Created 9/99 by M. Houyoux\nC 02/11: S.Roselle-Replaced I/O API include files with UTILIO_DEFN\nC-----------------------------------------------------------------------\nC Modified from:\n\nC Project Title: Sparse Matrix Operator Kernel Emissions (SMOKE) Modeling System\nC File: @(#)$Id: wrdaymsg.f,v 1.3 2011/10/21 16:10:18 yoj Exp $\nC COPYRIGHT (C) 2002, MCNC Environmental Modeling Center\nC All Rights Reserved\nC See file COPYRIGHT for conditions of use.\nC Environmental Modeling Center\nC MCNC\nC P.O. Box 12889\nC Research Triangle Park, NC 27709-2889\nC smoke@emc.mcnc.org\nC Pathname: $Source: /project/yoj/arc/CCTM/src/biog/beis3/wrdaymsg.f,v $\nC Last updated: $Date: 2011/10/21 16:10:18 $ \nC-----------------------------------------------------------------------\n\n USE UTILIO_DEFN\n\n IMPLICIT NONE\n\nC Includes:\n\nC External Functions:\n\nC Arguments:\n INTEGER , INTENT( IN ) :: JDATE ! Julian date\n CHARACTER( * ), INTENT( OUT ) :: MESG ! message buffer\n\nC Parameters:\n CHARACTER( 9 ), PARAMETER :: WKDAYS( 7 ) =\n & ( / 'Monday ', 'Tuesday ', 'Wednesday', 'Thursday ',\n & 'Friday ', 'Saturday ', 'Sunday ' / )\n\nC Local variables:\n INTEGER DAY ! day of week number\n INTEGER L ! length of day name\n\n CHARACTER( 16 ) :: PNAME = 'WRDAYMSG' ! procedure name\n\nC-----------------------------------------------------------------------\n\n DAY = WKDAY( JDATE )\n\n L = LEN_TRIM( WKDAYS( DAY ) )\n MESG = '>>> Processing ' // WKDAYS( DAY )( 1:L ) // ' ' // MMDDYY( JDATE )\n CALL M3MSG2( MESG )\n\n RETURN\n\n END SUBROUTINE WRDAYMSG\n\n" }, { "path": "CCTM/src/biog/megan3/BDSNP_MOD.F", "content": "!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in\n! continuous development by various groups and is based on information\n! from these groups: Federal Government employees, contractors working\n! within a United States Government contract, and non-Federal sources\n! including research institutions. These groups give the Government\n! permission to use, prepare derivative works of, and distribute copies\n! of their work in the CMAQ system to the public and to permit others\n! to do so. The United States Environmental Protection Agency\n! therefore grants similar permission to use the CMAQ system software,\n! but users are requested to provide copies of derivative works or\n! products designed to operate in the CMAQ system to the United States\n! Government without restrictions as to use by others. Software\n! that is used with the CMAQ system but distributed under the GNU\n! General Public License or the GNU Lesser General Public License is\n! subject to their copyright restrictions.\n!------------------------------------------------------------------------!\nC Adopted from CMAQ files and modified for MEGAN3.1 by Ling Huang\nC 2019/07/15\nC Adopted from MEGAN3.1 and modified for CMAQ 5.4 by Jeff Willison\n\n MODULE BDSNP_MOD\n \n USE centralized_io_util_module\n USE HGRD_DEFN\n USE ASX_DATA_MOD, ONLY: MET_DATA,GRID_DATA\n USE RUNTIME_VARS, ONLY: NEW_START, PX_LSM, MGN_ONLN_DEP, IGNORE_SOILINP\n \n IMPLICIT NONE\n \n CONTAINS\nC::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE HRNOBDSNP( JDATE, JTIME, TSTEP,MONTH, \n & L_DESID_DIAG, SOILM, SOILT, RSTYP,LAI,\n & BDSNP_NO )\n\n \n USE RUNTIME_VARS, ONLY: STTIME,STDATE,RUNLEN,LOGDEV\n USE PHOT_MOD, ONLY: CFRAC_2D_AVE\n\n USE UTILIO_DEFN\n#ifdef mpas\n use mio_module\n use util_module, only : TIME2SEC, secsdiff, nextime\n#else\n#ifdef parallel\n USE SE_MODULES ! stenex (using SE_UTIL_MODULE)\n#else\n USE NOOP_MODULES ! stenex (using NOOP_UTIL_MODULE)\n#endif\n#endif\n\n\n USE centralized_io_module, only: bdsnp_ndep,bdsnp_landtype,\n & bdsnp_arid,bdsnp_nonarid,bdsnp_fert,\n & soilmprev,ndepres,ndeprate,dryperiod,pfactor\n \n IMPLICIT NONE\n\nC Arguments:\n\n INTEGER, INTENT( IN ) :: JDATE ! current simulation date (YYYYDDD)\n INTEGER, INTENT( IN ) :: JTIME ! current simulation time (HHMMSS)\n INTEGER, INTENT( IN ) :: MONTH ! current simulation month\n\n INTEGER, INTENT( IN ) :: TSTEP( 3 ) ! time step vector (HHMMSS)\n LOGICAL, INTENT( IN ) :: L_DESID_DIAG\n INTEGER, INTENT( IN ) :: RSTYP ( NCOLS,NROWS ) ! soil type\n REAL, INTENT( IN ) :: SOILM ( NCOLS,NROWS ) ! soil moisture [m3/m3] (PX)\n REAL, INTENT( IN ) :: SOILT ( NCOLS,NROWS ) ! soil temperature [K] (PX)\n\n REAL, INTENT( IN ) :: LAI ( NCOLS,NROWS ) ! leaf area index (m2/m2)\n REAL, INTENT( OUT ) :: BDSNP_NO ( NCOLS,NROWS ) ! output NO emissions in nanomol/m^2/s\n\nC Parameters:\n ! Value calculated by running the 2x2.5 GEOS-Chem model\n REAL*8, PARAMETER :: TAU_MONTHS = 6. ! this is the decay time for dep. N reservoir, fert is 4 months\n REAL*8, PARAMETER :: SECPERDAY = 86400.d0\n REAL*8, PARAMETER :: DAYSPERMONTH = 30.\n REAL*8, PARAMETER :: TAU_SEC = TAU_MONTHS * DAYSPERMONTH * SECPERDAY\n \n ! New soil biomes based on Steinkamp et al., 2011\n INTEGER, PARAMETER :: NSOIL = 24\n\n ! Canopy wind extinction coefficients\n ! (cf. Yienger & Levy [1995], Sec 5), now a function of the MODIS/KOPPEN biometype (J.D. Maasakkers)\n REAL*8, PARAMETER :: SOILEXC(NSOIL) = (/ \n & 0.10, 0.50, 0.10, 0.10, 0.10,\n & 0.10, 0.10, 0.10, 0.10, 1.00,\n & 1.00, 1.00, 1.00, 2.00, 4.00,\n & 4.00, 4.00, 4.00, 4.00, 4.00,\n & 4.00, 2.00, 0.10, 2.00 /)\n ! Steinkamp and Lawrence, 2011 A values, wet biome coefficients\n ! for each of the 24 soil biomes [ng N/m2/s] \n REAL*8, PARAMETER :: A_BIOME(NSOIL) = (/ \n & 0.00, 0.00, 0.00, 0.00, 0.00, 0.06, 0.09, 0.09, 0.01, \n & 0.84, 0.84, 0.24, 0.42, 0.62, 0.03, 0.36, 0.36, 0.35, \n & 1.66, 0.08, 0.44, 0.57, 0.57, 0.57 /)\n \nC Saturation values from ASX. For PX see:\nC Jacquemin B. and Noilhan J. (1990), Bound.-Layer Meteorol., 52, 93-134.\n\nC Local Variables:\n\n CHARACTER( 16 ), SAVE :: SOILINSTATE = 'SOILINSTATE' ! logical name for input NO soil data, restart file\n CHARACTER( 16 ), SAVE :: SOILOUT = 'BDSNPOUT' ! logical name for output NO soil data - same format as soilinstate\n integer, save :: output_step, half_syn_step ! values are in seconds\n CHARACTER (20) :: TIME_STAMP\n\nC Land use files for BDSNP: both time independant in CMAQ sense and absolutely - e.g. fertilizer does not vary with year\n\n CHARACTER( 16 ) :: VAR ! variable name\n\n REAL, ALLOCATABLE, SAVE :: FERT ( :,: ) ! \"ng N m-2\" already - reservoir\nC Gridded Canopy NOx reduction factor for BDSNP Soil NO calculations\n REAL, ALLOCATABLE, SAVE :: CRF ( :,: ) ! 0-1\n REAL, ALLOCATABLE, SAVE :: CFRAC ( :,: ) ! 0-1\n\nC --- diagnostic variables, can be removed in final version \n REAL, ALLOCATABLE, SAVE :: CRFAVG ( :,: ) ! 0-1\n REAL, ALLOCATABLE, SAVE :: PULSEAVG ( :,: ) ! 1+\n REAL, ALLOCATABLE, SAVE :: BASESUM ( :,: ) ! used in calculating the above two averages\n REAL, ALLOCATABLE, SAVE :: THETA_DIAG( :,: ) ! diagnositc theta\n REAL, ALLOCATABLE, SAVE :: WET_DIAG ( :,: ) ! diagnositc wet term\n REAL, ALLOCATABLE, SAVE :: TEMP_DIAG ( :,: ) ! diagnositc temp term\n REAL, ALLOCATABLE, SAVE :: A_DIAG ( :,: ) ! diagnositc biome base emissions term\n REAL, ALLOCATABLE, SAVE :: AFERT_DIAG ( :,: ) ! diagnositc fert emissions term\n REAL, ALLOCATABLE, SAVE :: NRES_FERT_DIAG ( :,: ) ! diagnositc nres fert\n REAL, ALLOCATABLE, SAVE :: NRES_DEP_DIAG ( :,: ) ! diagnositc nres dep \nC --------------------------------------------------------------------------- \n\n REAL, SAVE :: EMPOL,EMPOLSUM, EMPOLAVG ! use to check reasonableness of results, g/hr\n REAL, SAVE :: TIMECHECK ! use to output CPU_TIME(TIMECHECK) to see if this section of code is running unreasonably long\n \n \n INTEGER, SAVE :: EDATE ! end scenario date\n INTEGER, SAVE :: ETIME ! end scenario time\n INTEGER, SAVE :: NDATE ! test date to update rainfall\n INTEGER, SAVE :: NTIME ! test time to update rainfall\n INTEGER, SAVE :: SDATE ! scenario start date\n INTEGER, SAVE :: STIME ! scenario start time\n \n LOGICAL, SAVE :: PX_VERSION ! true: use PX version of MCIP; should always be true\n\n INTEGER SOILCAT ! soil category\n INTEGER NSTEPS ! run duration (HHMMSS)\n INTEGER, SAVE :: MSTEPS ! run no. of steps\n INTEGER I, J, K, R, C, L ! counters\n CHARACTER*3 CHARDAY\n CHARACTER*2 CHARMON\n LOGICAL OK\n INTEGER IOS ! IO or memory allocation status\n \nC REAL, SAVE :: EFAC\n REAL TEMP_TERM\n REAL WET_TERM\n REAL PULSE\n REAL A_FERT\n REAL CRF_TERM\n REAL SOILNOX, FERTDIAG\nC REAL CFNO ! NO correction factor\nC REAL CFNOGRASS ! NO correction factor for grasslands\nC REAL TAIR ! surface temperature\nC REAL TSOI ! soil temperature\n REAL THETA ! water filled pore space\n REAL THETAPREV\n\nC REAL CFNOWET, THETA\nC REAL FAC1, FAC2, FAC3, FAC4\n\n LOGICAL, SAVE :: USE_SOILT = .TRUE. ! use soil temperature in PX version\n ! rather than estimate as in BEIS2\n\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n CHARACTER( 256 ) :: MESG ! message buffer\n CHARACTER( 16 ) :: PNAME = 'BDSNPHRNO' ! procedure name\n\nC-----------------------------------------------------------------------\n IF ( FIRSTIME ) THEN\n\n FIRSTIME = .FALSE.\n ! we need to initialize and allocate:\n ! pulse\n ! length of dry period\n ! soil moisture of previous time step\n ! N reservoir, deposition only\n ! These values can be provided from a restart file. The restart file is 'timeless'.\n ! This means CMAQ isn't checking to see if the restart file is actually from\n ! the immediately prior timstep.\n\nC Determine last timestamp\n EDATE = STDATE; ETIME = STTIME\n CALL NEXTIME( EDATE, ETIME, RUNLEN ) ! end date & time\n\nC ! make sure it only runs with PX version\n IF( .NOT. PX_LSM ) THEN\n MESG = \"BDSNP Soil NO is only compatible with PX version\"\n CALL M3EXIT( PNAME, JDATE, JTIME, MESG, 2)\n END IF\n\nC Allocate memory for data and read\n#ifdef mpas\n output_step = time2sec(tstep(1))\n half_syn_step = time2sec(tstep(2)) / 2\n#endif\n\n ALLOCATE( FERT( NCOLS,NROWS ), STAT=IOS )\n CALL CHECKMEM( IOS, 'FERT', PNAME )\n\n ALLOCATE( CFRAC( NCOLS,NROWS ), STAT=IOS )\n CALL CHECKMEM( IOS, 'CFRAC', PNAME )\n\n ALLOCATE( CRF( NCOLS,NROWS ), STAT=IOS )\n CALL CHECKMEM( IOS, 'CRF', PNAME )\n\n ALLOCATE( CRFAVG( NCOLS,NROWS ), STAT=IOS )\n CALL CHECKMEM( IOS, 'CRFAVG', PNAME )\n\n ALLOCATE( PULSEAVG( NCOLS,NROWS ), STAT=IOS )\n CALL CHECKMEM( IOS, 'PULSEAVG', PNAME )\n\n ALLOCATE( BASESUM( NCOLS,NROWS ), STAT=IOS )\n CALL CHECKMEM( IOS, 'BASESUM', PNAME )\n\n\nC ------ Diagnostics -----------------------------------\n ALLOCATE( THETA_DIAG( NCOLS,NROWS ), STAT=IOS )\n CALL CHECKMEM( IOS, 'THETA_DIAG', PNAME )\n\n ALLOCATE( WET_DIAG( NCOLS,NROWS ), STAT=IOS )\n CALL CHECKMEM( IOS, 'WET_DIAG', PNAME )\n\n ALLOCATE( TEMP_DIAG( NCOLS,NROWS ), STAT=IOS )\n CALL CHECKMEM( IOS, 'TEMP_DIAG', PNAME )\n\n ALLOCATE( A_DIAG( NCOLS,NROWS ), STAT=IOS )\n CALL CHECKMEM( IOS, 'A_DIAG(', PNAME )\n\n ALLOCATE( AFERT_DIAG( NCOLS,NROWS ), STAT=IOS )\n CALL CHECKMEM( IOS, 'AFERT_DIAG', PNAME )\n\n ALLOCATE( NRES_FERT_DIAG( NCOLS,NROWS ), STAT=IOS )\n CALL CHECKMEM( IOS, 'NRES_FERT_DIAG', PNAME )\n\n ALLOCATE( NRES_DEP_DIAG( NCOLS,NROWS ), STAT=IOS )\n CALL CHECKMEM( IOS, 'NRES_DEP_DIAG', PNAME )\n\nC-----------------------------------------------------------------------------\nC Initial run if the model hasnt been run before, otherwise use a restart file\nC to determine DRYPERIOD, pulse state, prev. timestep soil moisture, and N reservoir.\n\n \nC If initial run, initialize some variables, otherwise get them from file\n IF ( NEW_START .or. IGNORE_SOILINP) THEN\n\n PFACTOR = 1d0 ! array\n DRYPERIOD = 0.01 ! array initialized non-zero to avoid log(0)\n CFRAC = 0. \n SOILMPREV = 0d0 ! array\n FERT = 0d0 ! array\n EMPOL = 0d0\n EMPOLSUM = 0d0\n EMPOLAVG = 0d0\n BASESUM = 0.0\n CRFAVG = 0.0\n PULSEAVG = 0.0\n NDEPRES = 0d0 ! array\n\nC open nitrogen deposition file\n\n if (.not. MGN_ONLN_DEP) THEN \n ndeprate = bdsnp_ndep(:,:,month) ! optional for using offline NDEP\n ! instead of online NDEP\n ! When using online deposition there is no attempt to shorten the\n ! spin up time so we do not initialize this.\n end if\n \n !attempt to use steady state condition to reduce spin up time by setting dN/dt = 0\n !or NDEPRES = Dep rate * tau, the decay time\n DO R = 1, NROWS\n DO C = 1, NCOLS\n NDEPRES( C,R ) = NDEPRATE( C,R )*TAU_SEC\nC check for negatives\n IF( NDEPRES(C,R) .lt. 0.0 ) THEN\n Write(MESG,*) 'NDEPRES negative', NDEPRES, ' ',NDEPRATE(C,R)\n CALL M3EXIT( PNAME, JDATE, JTIME, MESG, 2 )\n ELSE IF( NDEPRATE(C,R) .lt. 0.0 ) THEN\n Write(MESG,*) 'NDEPRATE negative', NDEPRES,' ',NDEPRATE(C,R)\n CALL M3EXIT( PNAME, JDATE, JTIME, MESG, 2 )\n END IF\n END DO\n END DO\n\n ELSE ! SOILINSTATE file available for NDEPRES\n BASESUM = 0.0\n CRFAVG = 0.0\n PULSEAVG = 0.0\n EMPOLSUM = 0d0\n if (.not. MGN_ONLN_DEP) THEN \n ndeprate = bdsnp_ndep(:,:,month) ! For using offline NDEP\n ! instead of online NDEP\n end if\n\n END IF ! initial run check\n\n END IF ! FIRSTIME\n#ifdef mpas\n IF ( MOD((TIME2SEC( JTIME ) - half_syn_step), output_step) .EQ. 0 .and. .not. l_desid_diag) GOTO 9999\n#else\n IF (SECSDIFF(JDATE,JTIME,EDATE,ETIME) .LE. TIME2SEC(TSTEP(2)) .and. .not. L_DESID_DIAG) GOTO 9999\n#endif\n \n#ifdef twoway\n ! CFRAC for offline comes from MCIP but that's unavailable in twoway mode\n if (.not. allocated(CFRAC_2D_AVE)) then\n CFRAC = Met_Data%CFRAC\n! write(6,'(a,es14.2)')'MaxVal cfrac = ',MAXVAL(cfrac)\n! write(logdev,'(a,es14.2)')'MaxVal cfrac = ',MAXVAL(cfrac)\n else\n CFRAC = CFRAC_2D_AVE\n end if\n#else\n CFRAC = Met_Data%CFRAC\n#endif \n\n \nC read day dependant fertilizer reservoir e.g. Potter et al 2010\nC get the days fertilizer\n fert = bdsnp_fert\n\nC Fertilizer N reservoir already calculated and read from file, update deposition reservoir from dep rate\n DO R = 1, NROWS\n DO C = 1, NCOLS\n CALL GET_NDEPRES( TSTEP, NDEPRES( C,R ),\n & TAU_SEC, C, R,L_DESID_DIAG)\n END DO\n END DO\n\n\nC Calculate temporal non-speciated soil NO emissions to EMPOL\n\nC If False Dont do any calculations to test - replicate 0 output\n IF( .TRUE. ) THEN\n\n CALL GET_CANOPY_NOX(JDATE, JTIME, Met_Data%COSZEN,\n & MET_DATA%TEMP2, MET_DATA%RGRND, met_data%PRSFC, \n & BDSNP_LANDTYPE, LAI, Met_Data%SNOCOV, CFRAC, Met_Data%WSPD10, CRF)\n\n DO R = 1, NROWS\n DO C = 1, NCOLS\n\n SOILNOX = 0d0\n FERTDIAG = 0d0\n\n K = BDSNP_LANDTYPE( C,R ) !Skip LANDTYPE not present\n ! Temperature-dependent term of soil NOx emissions\n ! [unitless]\n ! Uses PX soil temperature instead of inferring from air\n ! temperature\n TEMP_TERM = SOILTEMP( SOILT(C,R) )\n\n ! Use THETA instead of boolean wet/dry climate\n SOILCAT = INT( RSTYP( C,R ) )\n IF ( SOILCAT .NE. 14) THEN !not water\n THETA = SOILM( C,R ) / Grid_Data%WSAT( C,R )\n THETAPREV = SOILMPREV( C,R ) / Grid_Data%WSAT( C,R )\n ! Soil moisture scaling of soil NOx emissions\n WET_TERM = SOILWET( THETA , BDSNP_ARID( C,R ), BDSNP_NONARID( C,R ))\n ELSE\n WET_TERM = 0d0\n THETA = 0d0\n THETAPREV = 0d0\n END IF\n ! Cumulative multiplication factor (over baseline emissions)\n ! that accounts for soil pulsing\nC PFACTOR( C,R ) = PULSING( THETA, TSTEP, THETAPREV,\nC & PFACTOR( C,R ), DRYPERIOD( C,R ) )\n PULSE = PULSING( L_DESID_DIAG, THETA, TSTEP, THETAPREV,\n & PFACTOR( C,R ), DRYPERIOD( C,R ) )\n\n A_FERT = FERTADD( FERT( C,R ) , NDEPRES( C,R ) ) !adds reservoirs returns emission rates\n\n ! Canopy reduction factor\n CRF_TERM = CRF( C,R )\nC CRF_TERM = SOILCRF( K, LAI,\nC & R_CANOPY(K),\nC & WINDSQR, SUNCOS )\n\n ! SOILNOX includes fertilizer\n SOILNOX = ( A_BIOME(K) + A_FERT ) !don't forget to check parenthesis when uncommenting\n & * ( TEMP_TERM * WET_TERM * PULSE )\n & * ( 1.d0 - CRF_TERM )\n\n ! FERTDIAG, only used for the fertilizer diagnostic, note\n ! includes DEP\n ! not actually used for anything at the moment, only\n ! diagnostics\n FERTDIAG = ( A_FERT )\n & * ( TEMP_TERM * WET_TERM * PULSE )\n & * ( 1.d0 - CRF_TERM )\n\nC END IF !LANDTYPE check\n\nC ENDDO\n\n !scale emissions\n EMPOL = SOILNOX * 3600.0 * 1.0e-9 ! [ng N/m2/s] * s/hr * g/ng\n BDSNP_NO(C,R) = SOILNOX / 14 ! [nmol/m2/s]\n ! sum various quantities for daily averaging\n EMPOLSUM = EMPOLSUM + EMPOL\n BASESUM(C,R) = BASESUM(C,R) + ( A_BIOME(K) + A_FERT ) \n & * ( TEMP_TERM * WET_TERM)\n & * 3600.0 * 1.0e-9 ! [ng N/m2/s] * s/hr * g/ng\n PULSEAVG(C,R) = PULSEAVG(C,R) + ( A_BIOME(K) + A_FERT ) \n & * ( TEMP_TERM * WET_TERM * PULSE )\n & * 3600.0 * 1.0e-9 ! [ng N/m2/s] * s/hr * g/ng\n CRFAVG(C,R) = CRFAVG(C,R) + ( A_BIOME(K) + A_FERT ) \n & * ( TEMP_TERM * WET_TERM )\n & * ( 1.d0 - CRF_TERM )\n & * 3600.0 * 1.0e-9 ! [ng N/m2/s] * s/hr * g/ng\n\n\nC--------- MORE DIAGNOSTICS ---------------------------------\n A_DIAG( C,R ) = A_BIOME(K)\n AFERT_DIAG( C,R ) = A_FERT\n NRES_FERT_DIAG( C,R ) = FERT( C,R )\n NRES_DEP_DIAG( C,R ) = NDEPRES( C,R )\n WET_DIAG( C,R ) = WET_TERM\n THETA_DIAG( C,R ) = THETA\n TEMP_DIAG( C,R ) = TEMP_TERM\n\nC -----------------------------------------------------\n END DO ! columns\n END DO ! rows\n#ifdef mpas\n IF ( MOD( NTIME, 10000 ) .EQ. 0 ) THEN ! at the hourly mark\n\n call mio_time_format_conversion (jdate, jtime, time_stamp)\n\n call mio_fwrite('BDSNP_DIAG','A_DIAG','BDSNP_MOD',\n & a_diag(:,1),time_stamp)\n call mio_fwrite('BDSNP_DIAG','AFERT_DIAG','BDSNP_MOD',\n & afert_diag(:,1),time_stamp)\n call mio_fwrite('BDSNP_DIAG','NRES_FERT_DIAG','BDSNP_MOD',\n & nres_fert_diag(:,1),time_stamp)\n call mio_fwrite('BDSNP_DIAG','NRES_DEP_DIAG','BDSNP_MOD',\n & nres_dep_diag(:,1),time_stamp)\n call mio_fwrite('BDSNP_DIAG','WET_DIAG','BDSNP_MOD',\n & wet_diag(:,1),time_stamp)\n call mio_fwrite('BDSNP_DIAG','TEMP_DIAG','BDSNP_MOD',\n & temp_diag(:,1),time_stamp)\n ENDIF\n#endif\n\n ELSE ! add things until it dies\n WRITE( MESG,*) 'BDSNP testing terms'\n \n !!CALL M3MESG(MESG)\n DO R = 1, NROWS\n DO C = 1, NCOLS\n K = BDSNP_LANDTYPE( C,R ) !Skip LANDTYPE not present\n ! Temperature-dependent term of soil NOx emissions\n ! [unitless]\n ! Uses PX soil temperature instead of inferring from air\n ! temperature\n TEMP_TERM = SOILTEMP( SOILT(C,R) )\n ! Use THETA instead of boolean wet/dry climate\n SOILCAT = INT( RSTYP( C,R ) )\n IF ( SOILCAT .NE. 14) THEN !not water\n THETA = SOILM( C,R ) / Grid_Data%WSAT(C,R)\n THETAPREV = SOILMPREV( C,R ) / Grid_Data%WSAT(C,R)\n ! Soil moisture scaling of soil NOx emissions\n WET_TERM = SOILWET( THETA , BDSNP_ARID( C,R ), BDSNP_NONARID( C,R ))\n ELSE\n WET_TERM = 0d0\n THETA = 0d0\n THETAPREV = 0d0\n END IF\n ! Cumulative multiplication factor (over baseline emissions)\n ! that accounts for soil pulsing\nC PFACTOR( C,R ) = PULSING( THETA, TSTEP, THETAPREV,\nC & PFACTOR( C,R ), DRYPERIOD( C,R ) )\n PULSE = PULSING( L_DESID_DIAG, THETA, TSTEP, THETAPREV,\n & PFACTOR( C,R ), DRYPERIOD( C,R ) )\n\n END DO\n END DO\n END IF ! end do nothing test if\n\n SOILMPREV = SOILM !save soilM array to soilMprev for next time step\n MESG = 'BDSNP calculated emissions'\n !CALL M3MESG(MESG)\n CALL CPU_TIME(TIMECHECK)\n WRITE(MESG,*) 'PROCESS TOOK:', TIMECHECK, 'SECONDS'\n !CALL M3MESG(MESG)\n EMPOLAVG = EMPOLSUM/FLOAT(NCOLS*NROWS)\n WRITE( MESG,*) 'average value:', EMPOLAVG\n !CALL M3MESG(MESG)\n EMPOLSUM = 0d0 !array\n \n RETURN\n! IF ( SECSDIFF( JDATE,JTIME, EDATE,ETIME ) .GT. TIME2SEC( TSTEP( 2 ) ) .OR. L_DESID_DIAG) RETURN\n9999 CONTINUE\n\n\nC Create soil NO state save file at the end of the run for restart purposes\n\nC Final timestamp\n NDATE = EDATE; NTIME = ETIME\n\n! Avoid divide by zero over water where BASESUM = 0\n WHERE ( BASESUM .eq. 0) BASESUM = 1.0 \n CRFAVG = CRFAVG/BASESUM\n PULSEAVG = PULSEAVG/BASESUM\n WHERE ( CRFAVG .gt. 100 ) CRFAVG = 0.0 \n WHERE ( PULSEAVG .gt. 100 ) PULSEAVG = 0.0 \n\n#ifdef mpas\n call julian_to_mpas_date_time (jdate, jtime, time_stamp)\n\n call mio_fwrite('BDSNPOUT','PFACTOR', pname,\n & PFACTOR(:,1),time_stamp)\n call mio_fwrite('BDSNPOUT','DRYPERIOD', pname,\n & DRYPERIOD(:,1),time_stamp)\n call mio_fwrite('BDSNPOUT','NDEPRES', pname,\n & NDEPRES(:,1),time_stamp)\n call mio_fwrite('BDSNPOUT','SOILMPREV', pname,\n & SOILMPREV(:,1),time_stamp)\n call mio_fwrite('BDSNPOUT','NDEPRATE_DIAG', pname,\n & NDEPRATE(:,1),time_stamp)\n#else\n!C Build description for, and create/open soil NO emissions output file\n\n FTYPE3D = GRDDED3\n SDATE3D = NDATE\n STIME3D = NTIME\n TSTEP3D = 0 ! make it a time-independent file\n NCOLS3D = GL_NCOLS\n NROWS3D = GL_NROWS\n NLAYS3D = 1\n NVARS3D = 14\n MXREC3D = 1\n!\n VNAME3D = ' '\n VNAME3D( 1 ) = 'PFACTOR'\n VNAME3D( 2 ) = 'DRYPERIOD'\n VNAME3D( 3 ) = 'NDEPRES'\n VNAME3D( 4 ) = 'SOILMPREV'\n\n!C --- DIAGNOSTICS ---------------------------\n VNAME3D( 5 ) = 'THETA_DIAG'\n VNAME3D( 6 ) = 'WET_TERM_DIAG'\n VNAME3D( 7 ) = 'TEMP_DIAG'\n VNAME3D( 8 ) = 'TEMP_TERM_DIAG'\n VNAME3D( 9 ) = 'A_DIAG'\n VNAME3D( 10 ) = 'NRES_FERT_DIAG'\n VNAME3D( 11 ) = 'AFERT_DIAG'\n VNAME3D( 12 ) = 'NDEPRATE_DIAG'\n VNAME3D( 13 ) = 'CRFAVG'\n VNAME3D( 14 ) = 'PULSEAVG'\n!c -------------------------------------------\n UNITS3D = ' '\n UNITS3D( 1 ) = 'REAL'\n UNITS3D( 2 ) = 'REAL'\n UNITS3D( 3 ) = 'REAL'\n UNITS3D( 4 ) = 'REAL'\n UNITS3D( 5 ) = 'REAL'\n UNITS3D( 6 ) = 'REAL'\n UNITS3D( 7 ) = 'REAL'\n UNITS3D( 8 ) = 'REAL'\n UNITS3D( 9 ) = 'REAL'\n UNITS3D( 10 ) = 'REAL'\n UNITS3D( 11 ) = 'REAL'\n UNITS3D( 12 ) = 'REAL'\n UNITS3D( 13 ) = 'REAL'\n UNITS3D( 14 ) = 'REAL'\n\n\n VDESC3D( 1 ) = 'NO emission current pulse factor'\n VDESC3D( 2 ) = 'length of the dry period in hours'\n VDESC3D( 3 ) = 'soil N reservoir from deposition'\n VDESC3D( 4 ) = 'Soil moisture prev. timestep m3/m3'\n VDESC3D( 5 ) = 'moisture WFPS 0-1'\n VDESC3D( 6 ) = 'moisture scale factore diagnostic'\n VDESC3D( 7 ) = 'temperature diagnostic'\n VDESC3D( 8 ) = 'temperature scale factor diagnostic'\n VDESC3D( 9 ) = 'biome base emission diagnostic'\n VDESC3D( 10 ) = 'NRES fert only diagnostic'\n VDESC3D( 11 ) = 'fertilizer emission factor diagnostic'\n VDESC3D( 12 ) = 'N deposition rate diagnostic'\n VDESC3D( 13 ) = 'canopy reduction factor diagnostic'\n VDESC3D( 14 ) = 'pulse factor diagnostic'\n\n VTYPE3D = 0\n VTYPE3D( 1:14 ) = M3REAL\n\n FDESC3D = ' '\n FDESC3D( 1 ) = 'Gridded soil state data for soil NO emissions'\n FDESC3D( 2 ) = '/From/ ' // PNAME\n FDESC3D( 3 ) = '/Version/ MEGAN3.1'\n!\n\nC Open NO rain data save file\n IF ( IO_PE_INCLUSIVE ) THEN\n IF ( .NOT. OPEN3( SOILOUT, FSNEW3, PNAME ) ) THEN\n MESG = 'Could not open \"' // TRIM( SOILOUT ) // '\" file'\n CALL M3EXIT( PNAME, JDATE, JTIME, MESG, XSTAT1 )\n END IF\n END IF\n\n#ifdef parallel_io\n IF ( IO_PE_INCLUSIVE ) THEN\n IF ( .NOT. FLUSH3 ( SOILOUT ) ) THEN\n MESG = 'Could not sync to disk ' // TRIM( SOILOUT )\n CALL M3EXIT( PNAME, JDATE, JTIME, MESG, XSTAT2 )\n END IF\n END IF\n CALL SE_BARRIER\n IF ( .NOT. IO_PE_INCLUSIVE ) THEN\n IF ( .NOT. OPEN3( SOILOUT, FSREAD3, PNAME ) ) THEN\n MESG = 'Could not open ' // TRIM( SOILOUT )\n CALL M3EXIT( PNAME, JDATE, JTIME, MESG, XSTAT2 )\n END IF\n END IF\n#endif\n\n IF ( .NOT. WRITE3(SOILOUT,'PFACTOR',NDATE,NTIME,PFACTOR)) THEN\n CALL NAMEVAL (SOILOUT, MESG) ! get input file name and path\n MESG = 'Error writing to file: '//TRIM(MESG)\n CALL M3EXIT(PNAME,JDATE,JTIME,MESG,XSTAT2)\n ENDIF\n!\n IF ( .NOT. WRITE3(SOILOUT,'DRYPERIOD',NDATE,NTIME,DRYPERIOD )) THEN\n CALL NAMEVAL (SOILOUT, MESG) ! get input file name and path\n MESG = 'Error writing to file: '//TRIM(MESG)\n CALL M3EXIT(PNAME,JDATE,JTIME,MESG,XSTAT2)\n ENDIF\n\n IF ( .NOT. WRITE3(SOILOUT,'NDEPRES',NDATE,NTIME,NDEPRES )) THEN\n CALL NAMEVAL (SOILOUT, MESG) ! get input file name and path\n MESG = 'Error writing to file: '//TRIM(MESG)\n CALL M3EXIT(PNAME,JDATE,JTIME,MESG,XSTAT2)\n ENDIF\n\n IF ( .NOT. WRITE3(SOILOUT,'SOILMPREV',NDATE,NTIME,SOILM )) THEN\n CALL NAMEVAL (SOILOUT, MESG) ! get input file name and path\n MESG = 'Error writing to file: '//TRIM(MESG)\n CALL M3EXIT(PNAME,JDATE,JTIME,MESG,XSTAT2)\n ENDIF\n!\n!C ---- DIAGNOSTICS -------------------------------------------------------------------\n IF ( .NOT. WRITE3(SOILOUT,'THETA_DIAG',NDATE,NTIME,THETA_DIAG )) THEN ! diagnostic theta\n CALL NAMEVAL (SOILOUT, MESG) ! get input file name and path\n MESG = 'Error writing THETA_DIAG to file: '//TRIM(MESG)\n CALL M3EXIT(PNAME,JDATE,JTIME,MESG,XSTAT2)\n ENDIF\n\n IF ( .NOT. WRITE3(SOILOUT,'WET_TERM_DIAG',NDATE,NTIME,WET_DIAG )) THEN ! diagnostic theta\n! CALL NAMEVAL (SOILOUT, MESG) ! get input file name and path\n MESG = 'Could not write \"' // TRIM( 'WET_TERM_DIAG' ) //\n & '\" to file \"' // TRIM( SOILOUT ) // '\"'\n CALL M3EXIT( PNAME, JDATE, JTIME, MESG, XSTAT2 )\n ENDIF\n\n\n IF ( .NOT. WRITE3(SOILOUT,'TEMP_DIAG',NDATE,NTIME,SOILT)) THEN ! diagnostic theta\n CALL NAMEVAL (SOILOUT, MESG) ! get input file name and path\n MESG = 'Error writing TEMP_DIAG to file: '//TRIM(MESG)\n CALL M3EXIT(PNAME,JDATE,JTIME,MESG,XSTAT2)\n ENDIF\n\n IF ( .NOT.WRITE3(SOILOUT,'TEMP_TERM_DIAG',NDATE,NTIME,TEMP_DIAG)) THEN ! diagnostic theta\n CALL NAMEVAL (SOILOUT, MESG) ! get input file name and path\n MESG = 'Error writing TEMP_TERM_DIAG to file: '//TRIM(MESG)\n CALL M3EXIT(PNAME,JDATE,JTIME,MESG,XSTAT2)\n ENDIF\n\n IF ( .NOT.WRITE3(SOILOUT,'A_DIAG',NDATE,NTIME,A_DIAG)) THEN ! diagnostic theta\n CALL NAMEVAL (SOILOUT, MESG) ! get input file name and path\n MESG = 'Error writing A_DIAG to file: '//TRIM(MESG)\n CALL M3EXIT(PNAME,JDATE,JTIME,MESG,XSTAT2)\n ENDIF\n\n IF ( .NOT.WRITE3(SOILOUT,'AFERT_DIAG',NDATE,NTIME,AFERT_DIAG)) THEN ! diagnostic theta\n CALL NAMEVAL (SOILOUT, MESG) ! get input file name and path\n MESG = 'Error writing AFERT_DIAG to file: '//TRIM(MESG)\n CALL M3EXIT(PNAME,JDATE,JTIME,MESG,XSTAT2)\n ENDIF\n\n IF ( .NOT.WRITE3(SOILOUT,'NRES_FERT_DIAG',NDATE,NTIME,\n & NRES_FERT_DIAG)) THEN ! diagnostic theta\n CALL NAMEVAL (SOILOUT, MESG) ! get input file name and path\n MESG = 'Error writing NRES_FERT_DIAG to file: '//TRIM(MESG)\n CALL M3EXIT(PNAME,JDATE,JTIME,MESG,XSTAT2)\n ENDIF\n\n IF ( .NOT.WRITE3(SOILOUT,'NDEPRATE_DIAG',NDATE,NTIME,\n & NDEPRATE)) THEN !diagnostic theta\n CALL NAMEVAL (SOILOUT, MESG) ! get input file name and path\n MESG = 'Error writing NDEPRATE_DIAG to file: '//TRIM(MESG)\n CALL M3EXIT(PNAME,JDATE,JTIME,MESG,XSTAT2)\n ENDIF\n\n IF ( .NOT.WRITE3(SOILOUT,'CRFAVG',NDATE,NTIME,\n & CRFAVG)) THEN !diagnostic theta\n CALL NAMEVAL (SOILOUT, MESG) ! get input file name and path\n MESG = 'Error writing CRFAVG to file: '//TRIM(MESG)\n CALL M3EXIT(PNAME,JDATE,JTIME,MESG,XSTAT2)\n ENDIF\n\n IF ( .NOT.WRITE3(SOILOUT,'PULSEAVG',NDATE,NTIME,\n & PULSEAVG)) THEN !diagnostic theta\n CALL NAMEVAL (SOILOUT, MESG) ! get input file name and path\n MESG = 'Error writing PULSEAVG to file: '//TRIM(MESG)\n CALL M3EXIT(PNAME,JDATE,JTIME,MESG,XSTAT2)\n ENDIF\n#endif\n\n\nC ------------------------------------------------------------------------------------\n WRITE( MESG,* )\n & 'Timestep written to', SOILOUT,\n & 'for date and time', NDATE, NTIME\n\n RETURN\n\n94040 FORMAT( 5X, 3( A, :, 1X ), I8, \":\", I6.6)\n\n END SUBROUTINE HRNOBDSNP\nC----------------------------------------------------------------------------------\n\n REAL FUNCTION PULSING( L_DESID_DIAG, THETA, TSTEP, THETAPREV,\n & PFACTOR, DRYPERIOD )!_____\n! !DESCRIPTION: Function PULSING calculates the increase (or \"pulse\") of\n! soil NOx emission that happens after preciptiation falls on dry soil.\n!\\\\\n!\\\\\n! According to Yan et al., [2005] , this pulsing process is thought to\n! be due to a release of inorganic nitrogen trapped on top of the dry soil\n! and a subsequent reactivation of water-stressed bacteria, which then\n! metabolize the excess nitrogen. This can happen in seasonally dry\n! grasslands and savannahs or over freshly fertilized fields.\n! Soil NOx emissions consist of baseline emissions plus discrete \"pulsing\"\n! episodes. We follow the Yan et al., [2005] algorithm, where the pulse\n! (relative to the flux pre wetting) is determined by the antecedent dry\n! period, with a simple logarithmic relationship,\n!\n! PFACTOR = 13.01 ln ( DRYPERIOD ) - 53.6\n!\n! ,where PFACTOR is the magnitude of peak flux relative to prewetting flux,\n! and DRYPERIOD is the length of the antecedent dry period in hours.\n!\n! The pulse decays with\n!\n! PFACTOR = PFACTOR * EXP( -0.068d0 * TSTEP(HOURS) )\n\n#ifdef mpas\n use util_module, only : TIME2SEC\n#endif\n\n IMPLICIT NONE\n\n#ifndef mpas\n INTEGER, EXTERNAL :: TIME2SEC\n#endif\n\nC Function arguments:\n INTEGER, INTENT( IN ) :: TSTEP( 3 ) ! time step vector (HHMMSS)\n LOGICAL, INTENT( IN ) :: L_DESID_DIAG\n REAL, INTENT( IN ) :: THETA, THETAPREV ! only avilable if PX version\n REAL, INTENT( INOUT ) :: DRYPERIOD\n REAL, INTENT( INOUT ) :: PFACTOR\nC Local Variables\n REAL MOISTDIFF\n REAL DTHOURS\n DTHOURS = TIME2SEC(TSTEP(2))/3600.0\n IF (L_DESID_DIAG) then \n DTHOURS = 0.\n END IF\n ! If soil moisture less than 0.3 and no pulse is taking place\n IF ( THETA < 0.3D0 .and. PFACTOR == 1.D0) THEN\n\n ! Get change in soil moisture since previous timestep\n MOISTDIFF = ( THETA - THETAPREV )\n\n ! If change in soil moisture is > 0.01 (rains)\n IF ( MOISTDIFF > 0.01 ) THEN\n\n !Initialize new pulse factor (dry period hours)\n PFACTOR = 13.01 * LOG( DRYPERIOD ) - 53.6\n\n ! If dry period < ~3 days then no pulse\n IF ( PFACTOR < 1.0 ) PFACTOR = 1.0\n\n ! Reinitialize dry period\n DRYPERIOD = 0.001\n\n ! If no rain (i.e., change in soil moisture is < 0.01)\n ELSE\n ! Add one timestep to dry period\n DRYPERIOD = DRYPERIOD + DTHOURS\n\n ENDIF\n\n ! If box is already pulsing , then decay pulse one timestep\n ELSEIF ( PFACTOR /= 1.d0) THEN\n\n ! Decay pulse\n PFACTOR = PFACTOR * EXP( -0.068d0 * DTHOURS )\n\n ! Update dry period\n IF ( THETA < 0.3D0 ) DRYPERIOD = DRYPERIOD + DTHOURS\n\n ! If end of pulse\n IF ( PFACTOR < 1.d0 ) PFACTOR = 1.d0\n\n ENDIF\n PULSING = PFACTOR\n RETURN\n\n END FUNCTION PULSING!_____\n\nC---------------------------------------------------------------------------------------------\n \n SUBROUTINE GET_NDEPRES( TSTEP, NDEPRES, TAU_SEC,C,R,L_DESID_DIAG)\nC Get the deposition rate of the appropriate species for the appropriate timestep, add to reservoir and decay.\nC Return reservoir amount.\n\n\n\n USE centralized_io_module, ONLY: ndeprate\n USE RUNTIME_VARS, ONLY: MGN_ONLN_DEP\n#ifdef mpas\n USE utilio_defn\n use util_module, only : TIME2SEC\n#endif\n\n IMPLICIT NONE\n\n#ifndef mpas\n INTEGER, EXTERNAL :: TIME2SEC\n#endif\n\nC Function arguments:\n\n INTEGER, INTENT( IN ) :: TSTEP( 3 ) ! time step vector (HHMMSS)\n INTEGER, INTENT( IN ) :: C\n INTEGER, INTENT( IN ) :: R\n REAL*8, INTENT( IN ) :: TAU_SEC\n LOGICAL, INTENT( IN ) :: L_DESID_DIAG\n REAL, INTENT( INOUT ) :: NDEPRES\n\nC Local Variables\n CHARACTER( 256 ) :: MESG ! message buffer\n CHARACTER( 16 ) :: PNAME = 'GET_NDEPRES' ! procedure name\n\n REAL*8 :: C1 ! a factor\n REAL*8 :: C2 ! another one\n REAL*8 :: TS_SEC ! time step in seconds\n real NDEPTEMP\nC check for negatives\n IF( NDEPRES < 0.0 ) THEN\n WRITE(MESG,*) 'NDEPRES negative'\n Write(*,*) 'In GET_NDEPRES:'\n Write(*,*) 'NDEPRES negative', NDEPRES,' '\n write(*,*) 'TS, TAU, C1, C2:', TS_SEC, TAU_SEC,C1,C2\n CALL M3EXIT( PNAME, 0, 0, MESG, 2)\n ELSE IF( NDEPRATE(c,r) < 0.0 ) THEN\n MESG = 'NDEPRATE negative'\n Write(*,*) 'In GET_NDEPRES:'\n Write(*,*) 'NDEPRATE negative', NDEPRATE(c,r)\n CALL M3EXIT( PNAME, 0, 0, MESG, 2 )\n END IF\n\n ! takes the NDEPRATE and uses it to update NDEPRES before\n ! clearing it.\n\n !Do mass balance (see Intro to Atm Chem Chap. 3)\n !m(t) = m(0) * exp(-t/tau) + Source * tau * (1 - exp(-t/tau))\n TS_SEC = TIME2SEC(TSTEP(2))\n C1 = EXP( - TS_SEC / TAU_SEC)\n C2 = 1.d0 - C1\n NDEPTEMP = NDEPRES\n NDEPRES = NDEPRES*C1+NDEPRATE(c,r)*TAU_SEC*C2\nC check for negatives\n IF( NDEPRES < 0.0 ) THEN\n MESG = 'negative'\n Write(*,*) 'In GET_NDEPRES:'\n Write(*,*) 'NDEPRES negative', NDEPRES\n write(*,*) 'TS, TAU, C1, C2:', TS_SEC, TAU_SEC,C1,C2\n CALL M3EXIT( PNAME, 0, 0, MESG, 2 )\n END IF\n ! clear NDEPRATE for use during next time step\n \n IF (.not. L_DESID_DIAG .and. MGN_ONLN_DEP) THEN \n ! need this not to be zero'd \n ! out on last time step\n ! and don't want it zero'd if using\n ! offline values\n NDEPRATE(c,r) = 0.0 \n END IF\n \n\n RETURN\n\n END SUBROUTINE GET_NDEPRES\n\nC -----------------------------------------------------------------------------\n\n SUBROUTINE GET_N_DEP( SPEC,DEP,C,R )\n USE UTILIO_DEFN \n USE centralized_io_module, only: ndeprate\n\n IMPLICIT NONE\n CHARACTER( 256 ) :: MESG ! message buffer\n CHARACTER( 8 ), INTENT( IN ) :: SPEC ! dep species\n REAL, INTENT( IN ) :: DEP ! deposition rate in kg/ha/s \n INTEGER, INTENT( IN ) :: C\n INTEGER, INTENT( IN ) :: R\n REAL, PARAMETER :: HAOM2 = 1.0e-4 ! ha/m^2 conversion\n REAL, PARAMETER :: MWNH3 = 17.031 ! molecular weight of NH3\n REAL, PARAMETER :: MWNH4 = 18.039 ! molecular weight of NH4\n REAL, PARAMETER :: MWHNO3 = 63.013 ! molecular weight of HNO3\n REAL, PARAMETER :: MWNO3 = 62.005 ! molecular weight of NO3\n REAL, PARAMETER :: MWNO2 = 46.006 ! molecular weight of NO2\n REAL, PARAMETER :: MWPAN = 121.05 ! molecular weight of Peroxyacyl nitrate\n REAL, PARAMETER :: MWN = 14.007 ! molecular weight of Nitrogen\n REAL, PARAMETER :: NGOKG = 1.0e12 ! ng/kg conversion\n \n ! takes Kg/hectare/s and converts to ng N / m^2/s\n\n IF( INDEX(TRIM( SPEC ), 'NH3') .NE. 0 ) THEN\n NDEPRATE( C,R ) = NDEPRATE( C,R ) + DEP*HAOM2*NGOKG*MWN/MWNH3 \n ELSE IF( INDEX(TRIM( SPEC ), 'NH4') .NE. 0 ) THEN\n NDEPRATE( C,R ) = NDEPRATE( C,R ) + DEP*HAOM2*NGOKG*MWN/MWNH4\n ELSE IF( INDEX(TRIM( SPEC ), 'HNO3') .NE. 0 ) THEN\n NDEPRATE( C,R ) = NDEPRATE( C,R ) + DEP*HAOM2*NGOKG*MWN/MWHNO3\n ELSE IF( INDEX(TRIM( SPEC ), 'NO3') .NE. 0) THEN\n NDEPRATE( C,R ) = NDEPRATE( C,R ) + DEP*HAOM2*NGOKG*MWN/MWNO3\n ELSE IF( INDEX(TRIM( SPEC ), 'NO2') .NE. 0 ) THEN\n NDEPRATE( C,R ) = NDEPRATE( C,R ) + DEP*HAOM2*NGOKG*MWN/MWNO2\n ELSE IF( INDEX(TRIM( SPEC ), 'PAN') .NE. 0 ) THEN\n NDEPRATE( C,R ) = NDEPRATE( C,R ) + DEP*HAOM2*NGOKG*MWN/MWPAN\n Else\n MESG = 'Invalid Species Name in Get_N_Dep: \"' // SPEC // '\"'\n !CALL M3EXIT( PNAME, JDATE, JTIME, MESG, XSTAT2 )\n END IF\n \n IF( (DEP<0.0) .OR. (NDEPRATE( C,R )<0.0) ) then\n Write(*,*) 'DEP or sum negative',DEP, ' ',NDEPRATE( C,R)\n MESG = 'negative'\n CALL M3EXIT( 'GET_N_DEP', 0, 0, MESG, XSTAT2 )\n END if\n\n RETURN\n\n \n END SUBROUTINE GET_N_DEP \n\nC -----------------------------------------------------------------------------\n REAL FUNCTION SOILTEMP( SOILT )\nC Calculate the soil temperature factor\n\n IMPLICIT NONE\nC Function arguments:\n REAL, INTENT( IN ) :: SOILT !kelvin, soil temperature\nC Local Variables\n REAl SOILTC !temperature in degrees celsius\n CHARACTER( 256 ) :: MESG ! message buffer\n CHARACTER( 16 ) :: PNAME = 'SOILTEMP' ! procedure name\n SOILTC = SOILT - 273.16\n\n IF ( SOILTC <= 0d0 ) THEN\n ! No soil emissions if temp below freezing\n SOILTEMP = 0d0\nC BENCHMARKING:\nC MESG = 'temperature less than 0 in august florida?'\nC CALL M3EXIT( PNAME, JDATE, JTIME, MESG, XSTAT1 )\n\n ELSE\n\n ! Caps temperature response at 30C\n IF ( SOILTC >= 30.d0 ) SOILTC = 30.d0\n\n SOILTEMP = EXP( 0.103 * SOILTC )\n\n ENDIF\n RETURN\n\n END FUNCTION SOILTEMP\n\nC ---------------------------------------------------------------------------------------------------------\n REAL FUNCTION FERTADD( FERT , DEPN )\nC Add fertilizer reservoir to deposition reservoir and create N driven\nC emission factor\n IMPLICIT NONE\nC Function arguments:\n REAL, INTENT( IN ) :: FERT !fertilizer reservoir [ngN/m2]\n REAL, INTENT( IN ) :: DEPN !deposition reservoir [ngN/m2]\n\nC Local Variables\n REAL*8, PARAMETER :: SECPERYEAR = 86400.d0 * 365.\n ! Scale factor so that fertilizer emission = 1.8 Tg N/yr\n ! (Stehfest and Bouwman, 2006)\n ! before canopy reduction\n REAL*8, PARAMETER :: FERT_SCALE = 0.0068 ! [yr -1]\n ! Value calculated by running the 2x2.5 GEOS-Chem model\n ! (J.D. Maasakkers)\n FERTADD = FERT + DEPN\n FERTADD = FERTADD / SECPERYEAR * FERT_SCALE\n\n RETURN\n\n END FUNCTION FERTADD\n\nC -------------------------------------------------------------------------------------\n\nC Local Variables\n\n REAL FUNCTION SOILWET( THETA , ARID, NONARID)\nC Calculate the soil moisture factor\n\n IMPLICIT NONE\nC Function arguments:\n REAL, INTENT( IN ) :: THETA !0-1 soil moisture\n INTEGER, INTENT( IN ) :: ARID !1 indicates arid cell\n INTEGER, INTENT( IN ) :: NONARID !1 indicates nonarid cell, if both 0 then\nC Local Variables\n\n IF ( ARID .EQ. 1 ) THEN !ARID, Max poison at theta = .2\n SOILWET = 8.24*THETA*EXP(-12.5*THETA*THETA)\n ELSE IF (NONARID .EQ. 1 ) THEN !NONARID Max Poisson at theta =.3\n SOILWET = 5.5*THETA*EXP(-5.55*THETA*THETA)\n ELSE !neither arid nor nonarid, water or non-emitting cell\n SOILWET = 0.0\n END IF\n\n RETURN\n\n END FUNCTION SOILWET\n\nC -------------------------------------------------------------------\n\n SUBROUTINE GET_CANOPY_NOX(JDATE, JTIME, COSZEN,\n & TASFC, SSOLAR, PRES, LANDTYPE, LAI, SNOCOV, CFRAC, WSPD, CRF) ! called tmpbeis, change called BDSNP, add K argument\n\n IMPLICIT NONE\n\nC Arguments\n INTEGER, INTENT( IN ) :: JDATE ! current simulation date (YYYYDDD)\n INTEGER, INTENT( IN ) :: JTIME ! current simulation time (HHMMSS)\nC These are arrays \n REAL, INTENT( IN ) :: COSZEN( NCOLS,NROWS ) ! cosine of zenith angle\n REAL, INTENT( IN ) :: TASFC ( NCOLS,NROWS ) ! surface air temperature [K]\n REAL, INTENT( IN ) :: SSOLAR( NCOLS,NROWS ) ! surface radiation [w/m**2]\n REAL, INTENT( IN ) :: PRES ( NCOLS,NROWS ) ! surface pressure [Pa]\n INTEGER, INTENT( IN ) :: LANDTYPE( NCOLS,NROWS ) ! the biome type in each cell\n REAL, INTENT( IN ):: LAI ( NCOLS,NROWS ) ! leaf area index (m2/m2)\n REAL, INTENT( IN ):: SNOCOV ( NCOLS,NROWS ) ! snow cover\n REAL, INTENT( IN ):: CFRAC ( NCOLS,NROWS ) ! cloud fraction\n REAL, INTENT( IN ):: WSPD ( NCOLS,NROWS ) ! cloud fraction\n REAL, INTENT( OUT ):: CRF ( NCOLS,NROWS ) ! outputs the canopy reduction factor\n ! !LOCAL VARIABLES:\n !\n CHARACTER( 16 ) :: PNAME = 'CANOPY_NOX' ! procedure name\n INTEGER IOS ! IO or memory allocation status\n CHARACTER( 256 ) :: MESG ! message buffer\n ! Scalars\n INTEGER :: C, R, K, KK, MY_NCOLS, MY_NROWS\n REAL*8 :: F0, HSTAR, XMW \n REAL*8 :: DTMP1, DTMP2, DTMP3, DTMP4, GFACT, GFACI\n REAL*8 :: RT, RAD0, RIX, RIXX, RDC, RLUXX\n REAL*8 :: RGSX, RCLX, TEMPK, TEMPC, WINDSQR\n REAL*8 :: VFNEW\n \n LOGICAL, SAVE :: FIRSTCANOPY = .TRUE. \n\n ! Arrays\n REAL*8 :: RI (24) \n REAL*8 :: RLU (24) \n REAL*8 :: RAC (24) \n REAL*8 :: RGSS(24) \n REAL*8 :: RGSO(24) \n REAL*8 :: RCLS(24) \n REAL*8 :: RCLO(24)\n! !DEFINED PARAMETERS:\n! \n INTEGER, PARAMETER :: SNIRI(24) = (/9999, 200, 9999, 9999, 9999, 9999, \n & 200, 200, 200, 200, 200, 200, 200, 200, 200, 200, 200, 400, 400, \n & 200, 200, 200, 9999, 200/)\n\n INTEGER, PARAMETER :: SNIRLU(24) = (/9999, 9000, 9999, 9999, 9999, \n & 9999, 9000, 9000, 9000, 9000, 9000, 9000, 9000, 9000, 9000, 1000, \n & 9000, 9000, 9000, 9000, 1000, 9000, 9999, 9000/)\n\n INTEGER, PARAMETER :: SNIRAC(24) = (/0, 300, 0, 0, 0, 0, 100, 100, \n & 100, 100, 100, 100, 100, 100, 2000, 2000, 2000, 2000, 2000, 2000, \n & 2000, 200, 100, 200/)\n\n INTEGER, PARAMETER :: SNIRGSS(24) = (/0, 0, 100, 1000, 100, 1000, 350, \n & 350, 350, 350, 350, 350, 350, 350, 500, 200, 500, 500, 500, 500, \n & 200, 150, 400, 150/)\n\n INTEGER, PARAMETER :: SNIRGSO(24) = (/2000, 1000, 3500, 400, 3500, \n & 400, 200, 200, 200, 200, 200, 200, 200, 200, 200, 200, 200, 200, \n & 200, 200, 200, 150, 300, 150/)\n\n INTEGER, PARAMETER :: SNIRCLS(24) = (/9999, 2500, 9999, 9999, 9999, \n & 9999, 2000, 2000, 2000, 2000, 2000, 2000, 2000, 2000, 2000, 9999, \n & 2000, 2000, 2000, 2000, 9999, 2000, 9999, 2000/)\n \n INTEGER, PARAMETER :: SNIRCLO(24) = (/9999, 1000, 1000, 9999, 1000, \n & 9999, 1000, 1000, 1000, 1000, 1000, 1000, 1000, 1000, 1000, 9999, \n & 1000, 1000, 1000, 1000, 9999, 1000, 9999, 1000/)\n\n INTEGER, PARAMETER :: SNIVSMAX(24) = (/10, 100, 100, 10, 100, 10, 100, \n & 100, 100, 100, 100, 100, 100, 100, 100, 100, 100, 100, 100, 100, \n & 100, 100, 100, 100/) \n\n REAL, PARAMETER :: DRYCOEFF(20) = (/-0.358, 3.02, 3.85, -0.0978, -3.66, \n & 12.0, 0.252, -7.8, 0.226, 0.274, 1.14, -2.19, 0.261, -4.62, 0.685, \n & -0.254, 4.37, -0.266, -0.159, -0.206 /) \n\n ! Canopy wind extinction coefficients\n ! (cf. Yienger & Levy [1995], Sec 5), now a function of the MODIS/KOPPEN biometype (J.D. Maasakkers)\n REAL*8, PARAMETER :: SOILEXC(24) = (/ \n & 0.10, 0.50, 0.10, 0.10, 0.10,\n & 0.10, 0.10, 0.10, 0.10, 1.00,\n & 1.00, 1.00, 1.00, 2.00, 4.00,\n & 4.00, 4.00, 4.00, 4.00, 4.00,\n & 4.00, 2.00, 0.10, 2.00 /) \n \n\n ! Molecular weight of water [kg]\n REAL*8, PARAMETER :: XMWH2O = 18d-3\n !\n ! Ventilation velocity for NOx, day & night values [m/s]\n REAL*8, PARAMETER :: VFDAY = 1.0d-2\n REAL*8, PARAMETER :: VFNIGHT = 0.2d-2 \n REAL*8, PARAMETER :: PRESS = 1.5d5\n\n ! Set physical parameters\n HSTAR = 0.01d0 ! Henry's law constant\n F0 = 0.1d0 ! Reactivity factor for biological oxidation \n XMW = 46d-3 ! Molecular wt of NO2 (kg)\n\n IF( FIRSTCANOPY ) THEN\n FIRSTCANOPY = .FALSE.\n END IF\n \n CRF = 0d0 ! array\n \n ! begin calculating canopy reduction factor\n DO C=1, NCOLS\n DO R=1, NROWS\n IF(LAI(C,R) > 0.0) THEN\n TEMPC = TASFC(C,R) - 273.15d0 ! convert kelvin to Celsius\n ! Compute bulk surface resistance for gases. \n ! \n ! Adjust external surface resistances for temperature; \n ! from Wesely [1989], expression given in text on p. 1296. \n RT = 1000.0D0 * EXP( -TEMPC - 4.0d0 )\n \n \n !--------------------------------------------------------------\n ! Get surface resistances - loop over biome types K\n !\n ! The land types within each grid square are defined using the \n ! Olson land-type database. Each of the Olson land types is \n ! assigned a corresponding \"deposition land type\" with \n ! characteristic values of surface resistance components. \n ! There are 74 Olson land-types but only 11 deposition \n ! land-types (i.e., many of the Olson land types share the \n ! same deposition characteristics). Surface resistance \n ! components for the \"deposition land types\" are from Wesely \n ! [1989] except for tropical forests [Jacob and Wofsy, 1990] \n ! and for tundra [Jacob et al., 1992]. All surface resistance \n ! components are normalized to a leaf area index of unity.\n !--------------------------------------------------------------\n\t!Set biometype\n \n K = LANDTYPE( C,R )\n \n ! Set second loop variable to K to allow snow/ice correction\n\t KK = K\n\n ! If the surface is snow or ice, then set K=3\n IF ( SNOCOV(C,R) .EQ. 1 ) KK = 3\n\n\t\t!USE new MODIS/KOPPEN Biometypes to read data\n\n ! Read the internal resistance RI (minimum stomatal resistance \n ! for water vapor, per unit area of leaf) from the IRI array; \n ! a '9999' value means no deposition to stomata so we impose a \n ! very large value for RI.\n RI(K) = DBLE( SNIRI(KK) )\n IF ( RI(K) >= 9999.D0 ) RI(K)= 1.D12\n \n ! Cuticular resistances IRLU read in from 'drydep.table'\n ! are per unit area of leaf; divide them by the leaf area index \n ! to get a cuticular resistance for the bulk canopy. If IRLU is \n !'9999' it means there are no cuticular surfaces on which to \n ! deposit so we impose a very large value for RLU.\n IF ( SNIRLU(KK) >= 9999 .OR. LAI(C,R) <= 0d0 ) THEN\n RLU(K) = 1.D6\n ELSE\n RLU(K)= DBLE( SNIRLU(KK) ) / LAI(C,R) + RT\n ENDIF\n\n ! The following are the remaining resistances for the Wesely\n ! resistance-in-series model for a surface canopy\n ! (see Atmos. Environ. paper, Fig.1). \n RAC(K) = MAX( DBLE( SNIRAC(KK) ), 1d0 )\n RGSS(K) = MAX( DBLE( SNIRGSS(KK) ) + RT, 1d0 )\n RGSO(K) = MAX( DBLE( SNIRGSO(KK) ) + RT, 1d0 ) \n RCLS(K) = DBLE( SNIRCLS(KK) ) + RT \n RCLO(K) = DBLE( SNIRCLO(KK) ) + RT \n\n IF ( RAC(K) >= 9999.D0 ) RAC(K) = 1d12\n IF ( RGSS(K) >= 9999.D0 ) RGSS(K) = 1d12\n IF ( RGSO(K) >= 9999.D0 ) RGSO(K) = 1d12\n IF ( RCLS(K) >= 9999.D0 ) RCLS(K) = 1d12 \n IF ( RCLO(K) >= 9999.D0 ) RCLO(K) = 1d12\n\n !-------------------------------------------------------------\n ! Adjust stomatal resistances for insolation and temperature: \n ! \n ! Temperature adjustment is from Wesely [1989], equation (3).\n ! \n ! Light adjustment by the function BIOFIT is described by Wang \n ! [1996]. It combines:\n !\n ! - Local dependence of stomal resistance on the intensity I \n ! of light impinging the leaf; this is expressed as a \n ! multiplicative factor I/(I+b) to the stomatal resistance \n ! where b = 50 W m-2\n ! (equation (7) of Baldocchi et al. [1987])\n ! - Radiative transfer of direct and diffuse radiation in the \n ! canopy using equations (12)-(16) from Guenther et al. \n ! [1995]\n ! - Separate accounting of sunlit and shaded leaves using\n ! equation (12) of Guenther et al. [1995]\n ! - Partitioning of the radiation at the top of the canopy \n ! into direct and diffuse components using a \n ! parameterization to results from an atmospheric radiative \n ! transfer model [Wang, 1996]\n !\n ! The dependent variables of the function BIOFIT are the leaf \n ! area index (XYLAI), the cosine of zenith angle (SUNCOS) and \n ! the fractional cloud cover (CFRAC). The factor GFACI \n ! integrates the light dependence over the canopy depth; so\n ! be scaled by LAI to yield a bulk canopy value because that's \n ! already done in the GFACI formulation.\n !-------------------------------------------------------------\n\n ! Radiation @ sfc [W/m2]\n RAD0 = SSOLAR(C,R)\n \n ! Internal resistance\n RIX = RI(K)\n\n ! Skip the following block if the resistance RIX is high\n IF ( RIX < 9999d0 ) THEN\n GFACT = 100.0D0\n\n IF ( TEMPC > 0.D0 .AND. TEMPC < 40.D0) THEN\n GFACT = 400.D0 / TEMPC / ( 40.0D0 - TEMPC )\n ENDIF\n\n GFACI = 100.D0\n\n IF ( RAD0 > 0d0 .AND. LAI(C,R) > 0d0 ) THEN\n GFACI= 1d0 / \n & BIOFIT( DRYCOEFF, LAI(C,R),\n & COSZEN(C,R), CFRAC(C,R) )\n ENDIF\n \n RIX = RIX * GFACT * GFACI\n ENDIF\n \n ! Compute aerodynamic resistance to lower elements in lower \n ! part of the canopy or structure, assuming level terrain - \n ! equation (5) of Wesely [1989]. \n RDC = 100.D0*(1.0D0+1000.0D0/(RAD0 + 10.D0))\n\n ! Loop over species; species-dependent corrections to resistances\n ! are from equations (6)-(9) of Wesely [1989].\n !\n ! NOTE: here we only consider NO2 (bmy, 6/22/09)\n RIXX = RIX * DIFFG( TASFC(C,R), PRESS, XMWH2O ) /\n & DIFFG( TASFC(C,R), PRESS, XMW )\n & + 1.D0 / ( HSTAR/3000.D0 + 100.D0*F0 )\n\n RLUXX = 1.D12\n\n IF ( RLU(K) < 9999.D0 ) THEN\n RLUXX = RLU(K) / ( HSTAR / 1.0D+05 + F0 )\n ENDIF\n \n ! To prevent virtually zero resistance to species with huge HSTAR, \n ! such as HNO3, a minimum value of RLUXX needs to be set. \n ! The rationality of the existence of such a minimum is \n ! demonstrated by the observed relationship between Vd(NOy-NOx) \n ! and Ustar in Munger et al.[1996]; Vd(HNO3) never exceeds 2 cm/s \n ! in observations. The corresponding minimum resistance is 50 s/m.\n ! was introduced by J.Y. Liang on 7/9/95.\n RGSX = 1d0 / ( HSTAR/1d5/RGSS(K) + F0/RGSO(K) )\n RCLX = 1d0 / ( HSTAR/1d5/RCLS(K) + F0/RCLO(K) )\n\n ! Get the bulk surface resistance of the canopy\n ! from the network of resistances in parallel and in series \n ! (Fig. 1 of Wesely [1989])\n DTMP1 = 1.D0 / RIXX\n DTMP2 = 1.D0 / RLUXX\n DTMP3 = 1.D0 / ( RAC(K) + RGSX )\n DTMP4 = 1.D0 / ( RDC + RCLX )\n\n ! Save the within canopy depvel of NOx, used in calculating \n ! the canopy reduction factor for soil emissions [1/s]\n CRF(C,R) = DTMP1 + DTMP2 + DTMP3 + DTMP4\n \n ! Pick proper ventilation velocity for day or night\n IF ( COSZEN( C,R ) > 0d0 ) THEN\n VFNEW = VFDAY \n ELSE \n VFNEW = VFNIGHT \n ENDIF\n\n ! If the leaf area index and the bulk surface resistance\n ! of the canopy to NOx deposition are both nonzero ...\n IF (CRF(C,R) > 0d0 ) THEN\n\n ! Adjust the ventilation velocity. \n ! NOTE: SOILEXC(21) is the canopy wind extinction \n ! coefficient for the tropical rainforest biome.\n WINDSQR=WSPD(C,R)*WSPD(C,R)\n VFNEW = (VFNEW * SQRT( WINDSQR/9d0 * 7d0/LAI(C,R)) *\n & ( SOILEXC(21) / SOILEXC(K) ))\n\n ! Soil canopy reduction factor\n CRF(C,R) = CRF(C,R) / ( CRF(C,R) + VFNEW )\n \nC IF( CRF(C,R) > 1.0 ) THEN\nC write(*,*) 'CANOPY NOX REDUCTION FACTOR TOO HIGH'\nC write(*,*) 'C,R,k,crf,vfnew,dt1,dt2,dt3,dt4'\nC write(*,*) C,R,k, CRF(C,R), VFNEW, DTMP1, DTMP2, DTMP3, DTMP4 \nC write(*,*) 'windsqr, cos, lai'\nC write(*,*) WINDSQR, COSZEN(C,R),LAI(C,R)\nC write(*,*) 'soil21/soilk'\nC write(*,*) SOILEXC(21)/SOILEXC(K) \nC write(*,*) 'rdc,rclx,rac,rgsx,rluxx,rixx,rclo'\nC write(*,*) RDC, RCLX, RAC(K), RGSX, RLUXX, RIXX, RCLO(K)\nC write(*,*) 'RCLS(K), RGSO(K), RGSS(K), RLU(K)'\nC write(*,*) RCLS(K), RGSO(K), RGSS(K), RLU(K)\nC write(*,*) 'DIFFG(h20)/DIFFG(no2)' \nc write(*,*) DIFFG( TASFC(C,R), PRESS, XMWH2O ) /\nC & DIFFG( TASFC(C,R), PRESS, XMW )\nC write(*,*) DIFFG( TASFC(C,R), PRESS, XMWH2O )\nC write(*,*) DIFFG( TASFC(C,R), PRESS, XMW )\nC write(*,*) TASFC(C,R), PRESS, XMW, XMWH2O\nC write(*,*) '1.D0 / ( HSTAR/3000.D0 + 100.D0*F0 )'\nC write(*,*) 1.D0 / ( HSTAR/3000.D0 + 100.D0*F0 )\nC write(*,*) 'RAD0, GFACT, GFACI, BIOFIT'\nC write(*,*) RAD0, GFACT, GFACI, BIOFIT( DRYCOEFF, LAI(C,R),\nC & COSZEN(C,R), CFRAC(C,R))\nC write(*,*) 'TEMPC, CFRAC(C,R), DRYCOEFF(K), RT'\nC write(*,*) TEMPC, CFRAC(C,R), DRYCOEFF(K), RT\nC write(*,*) 'RI(K),RLU(K),RAC(K),RGSS(K),RGSO(K),RCLS(K),RCLO(K)'\nC write(*,*) RI(K), RLU(K),RAC(K),RGSS(K),RGSO(K),RCLS(K),RCLO(K)\nC MESG = 'CRF too high'\nC CALL M3EXIT( PNAME, JDATE, JTIME, MESG, XSTAT1 )\nC END IF \n\n ELSE ! CRF < 0.0\n \n ! Otherwise set the soil canopy reduction factor to zero\n CRF(C,R) = 0d0\n\n END IF\n\n IF( CRF(C,R) .LT. 0.0) THEN\n \n MESG = 'CRF Less than 0'\n! CALL M3EXIT( PNAME, JDATE, JTIME, MESG, 2 )\n \n ELSE IF( CRF(C,R) .GT. 1.0) THEN\n \n MESG = 'CRF Greater than one'\n! CALL M3EXIT( PNAME, JDATE, JTIME, MESG, 2 ) \n \n END IF\n \n ELSE\n CRF(C,R) = 0.0\n END IF !lai check\n\n END DO !row loop\n END DO !col loop\n \n END SUBROUTINE GET_CANOPY_NOX\n \n FUNCTION DIFFG( TK, PRESS, XM ) RESULT( DIFF_G )\n! !DESCRIPTION: Function DIFFG calculates the molecular diffusivity [m2/s] in \n! air for a gas X of molecular weight XM [kg] at temperature TK [K] and \n! pressure PRESS [Pa].\n!\\\\\n!\\\\\n! We specify the molecular weight of air (XMAIR) and the hard-sphere molecular\n! radii of air (RADAIR) and of the diffusing gas (RADX). The molecular\n! radius of air is given in a Table on p. 479 of Levine [1988]. The Table\n! also gives radii for some other molecules. Rather than requesting the user\n! to supply a molecular radius we specify here a generic value of 2.E-10 m for\n! all molecules, which is good enough in terms of calculating the diffusivity\n! as long as molecule is not too big.\n!\n! !INPUT PARAMETERS:\n!\n REAL, INTENT(IN) :: TK ! Temperature [K]\n REAL*8, INTENT(IN) :: PRESS ! Pressure [Pa]\n REAL*8, INTENT(IN) :: XM ! Molecular weight of gas [kg]\n!\n! !RETURN VALUE:\n!\n REAL*8 :: DIFF_G ! Molecular diffusivity [m2/s]\n!\n! !REVISION HISTORY:\n! 22 Jun 2009 - R. Yantosca - Copied from \"drydep_mod.f\"\n!EOP\n!------------------------------------------------------------------------------\n!BOC\n!\n! !LOCAL VARIABLES:\n!\n REAL*8 :: AIRDEN, Z, DIAM, FRPATH, SPEED \n!\n! !DEFINED PARAMETERS:\n!\n REAL*8, PARAMETER :: XMAIR = 28.8d-3 \n REAL*8, PARAMETER :: RADAIR = 1.2d-10\n REAL*8, PARAMETER :: PI = 3.1415926535897932d0\n REAL*8, PARAMETER :: RADX = 1.5d-10\n REAL*8, PARAMETER :: RGAS = 8.32d0\n REAL*8, PARAMETER :: AVOGAD = 6.023d23\n\n !=================================================================\n ! DIFFG begins here!\n !=================================================================\n\n ! Air density\n AIRDEN = ( PRESS * AVOGAD ) / ( RGAS * TK )\n\n ! DIAM is the collision diameter for gas X with air.\n DIAM = RADX + RADAIR\n\n ! Calculate the mean free path for gas X in air: \n ! eq. 8.5 of Seinfeld [1986];\n Z = XM / XMAIR\n FRPATH = 1d0 /( PI * SQRT( 1d0 + Z ) * AIRDEN*( DIAM**2 ) )\n\n ! Calculate average speed of gas X; eq. 15.47 of Levine [1988]\n SPEED = SQRT( 8d0 * RGAS * TK / ( PI * XM ) )\n\n ! Calculate diffusion coefficient of gas X in air; \n ! eq. 8.9 of Seinfeld [1986]\n DIFF_G = ( 3d0 * PI / 32d0 ) * ( 1d0 + Z ) * FRPATH * SPEED\n\n ! Return to calling program\n END FUNCTION DIFFG\n \n SUBROUTINE SUNPARAM(X)\n\n IMPLICIT NONE\n\n\n!===============================================\n! the sequence is lai,suncos,cloud fraction\n!===============================================\n! NN = number of variables (lai,suncos,cloud fraction)\n INTEGER NN\n PARAMETER(NN=3)\n! ND = scaling factor for each variable\n INTEGER ND(NN),I\n DATA ND /55,20,11/\n! X0 = maximum for each variable\n REAL X(NN),X0(NN),XLOW\n DATA X0 /11.,1.,1./\n\n DO I=1,NN\n X(I)=MIN(X(I),X0(I))\n! XLOW = minimum for each variable\n IF (I.NE.3) THEN\n XLOW=X0(I)/REAL(ND(I))\n ELSE\n XLOW= 0.\n END IF\n X(I)=MAX(X(I),XLOW)\n X(I)=X(I)/X0(I)\n END DO\n\n RETURN\n END SUBROUTINE SUNPARAM\n \n REAL*8 FUNCTION BIOFIT(COEFF1,XLAI1,SUNCOS1,CFRAC1)\n\n IMPLICIT NONE\n\n!===============================================\n! Calculate the light correction\n!===============================================\n!* BIOFIT and SUNPARAM were written by Y.H. Wang. \n!* !-------------------------------------------------------------\n ! Adjust stomatal resistances for insolation and temperature: \n ! \n ! Temperature adjustment is from Wesely [1989], equation (3).\n ! \n ! Light adjustment by the function BIOFIT is described by Wang \n ! [1996]. It combines:\n !\n ! - Local dependence of stomal resistance on the intensity I \n ! of light impinging the leaf; this is expressed as a \n ! multiplicative factor I/(I+b) to the stomatal resistance \n ! where b = 50 W m-2\n ! (equation (7) of Baldocchi et al. [1987])\n ! - Radiative transfer of direct and diffuse radiation in the \n ! canopy using equations (12)-(16) from Guenther et al. \n ! [1995]\n ! - Separate accounting of sunlit and shaded leaves using\n ! equation (12) of Guenther et al. [1995]\n ! - Partitioning of the radiation at the top of the canopy \n ! into direct and diffuse components using a \n ! parameterization to results from an atmospheric radiative \n ! transfer model [Wang, 1996]\n !\n ! The dependent variables of the function BIOFIT are the leaf \n ! area index (XYLAI), the cosine of zenith angle (SUNCOS) and \n ! the fractional cloud cover (CFRAC). The factor GFACI \n ! integrates the light dependence over the canopy depth; so\n ! be scaled by LAI to yield a bulk canopy value because that's \n ! already done in the GFACI formulation.\n!*************************************************************\n INTEGER KK\n PARAMETER (KK=4)\n REAL COEFF1(20),TERM(KK),REALTERM(20)\n REAL XLAI1,SUNCOS1,CFRAC1\n INTEGER K,K1,K2,K3\n\n TERM(1)=1.\n TERM(2)=XLAI1\n TERM(3)=SUNCOS1\n TERM(4)=CFRAC1\n CALL SUNPARAM(TERM(2))\n K=0\n DO K3=1,KK\n DO K2=K3,KK\n DO K1=K2,KK\n K=K+1\n REALTERM(K)=TERM(K1)*TERM(K2)*TERM(K3)\n END DO\n END DO\n END DO\n BIOFIT=0\n DO K=1,20\n BIOFIT=BIOFIT+COEFF1(K)*REALTERM(K)\n END DO\n IF (BIOFIT.LT.0.1) BIOFIT=0.1\n\n RETURN\n END FUNCTION BIOFIT\n \n! References:\n! ============================================================================\n! (1 ) Baldocchi, D.D., B.B. Hicks, and P. Camara, \"A canopy stomatal\n! resistance model for gaseous deposition to vegetated surfaces\",\n! Atmos. Environ. 21, 91-101, 1987.\n! (2 ) Brutsaert, W., \"Evaporation into the Atmosphere\", Reidel, 1982.\n! (3 ) Businger, J.A., et al., \"Flux-profile relationships in the atmospheric \n! surface layer\", J. Atmos. Sci., 28, 181-189, 1971.\n! (4 ) Dwight, H.B., \"Tables of integrals and other mathematical data\",\n! MacMillan, 1957.\n! (5 ) Guenther, A., and 15 others, A global model of natural volatile\n! organic compound emissions, J. Geophys. Res., 100, 8873-8892, 1995.\n! (6 ) Hicks, B.B., and P.S. Liss, \"Transfer of SO2 and other reactive\n! gases across the air-sea interface\", Tellus, 28, 348-354, 1976.\n! (7 ) Jacob, D.J., and S.C. Wofsy, \"Budgets of reactive nitrogen,\n! hydrocarbons, and ozone over the Amazon forest during the wet season\",\n! J. Geophys. Res., 95, 16737-16754, 1990.\n! (8 ) Jacob, D.J., et al, \"Deposition of ozone to tundra\", J. Geophys. Res., \n! 97, 16473-16479, 1992.\n! (9 ) Levine, I.N., \"Physical Chemistry, 3rd ed.\", McGraw-Hill, \n! New York, 1988.\n! (10) Munger, J.W., et al, \"Atmospheric deposition of reactive nitrogen \n! oxides and ozone in a temperate deciduous forest and a sub-arctic \n! woodland\", J. Geophys. Res., in press, 1996.\n! (11) Walcek, C.J., R.A. Brost, J.S. Chang, and M.L. Wesely, \"SO2, sulfate, \n! and HNO3 deposition velocities computed using regional landuse and\n! meteorological data\", Atmos. Environ., 20, 949-964, 1986.\n! (12) Wang, Y.H., paper in preparation, 1996.\n! (13) Wesely, M.L, \"Improved parameterizations for surface resistance to\n! gaseous dry deposition in regional-scale numerical models\", \n! Environmental Protection Agency Report EPA/600/3-88/025,\n! Research Triangle Park (NC), 1988.\n! (14) Wesely, M. L., Parameterization of surface resistance to gaseous dry \n! deposition in regional-scale numerical models. Atmos. Environ., 23\n! 1293-1304, 1989. \n! (15) Price, H., L. Jaeglé, A. Rice, P. Quay, P.C. Novelli, R. Gammon, \n! Global Budget of Molecular Hydrogen and its Deuterium Content: \n! Constraints from Ground Station, Cruise, and Aircraft Observations,\n! submitted to J. Geophys. Res., 2007. \n END MODULE BDSNP_MOD\n \n" }, { "path": "CCTM/src/biog/megan3/MAP_CV2CB05.EXT", "content": "C=======================================================================\nC MAP_CV2CB05.EXT\nC This include file contains conversion table for 201 speciated species\nC to CB05 (CMAQ/CAMx) species\nC\nC\nC MEGAN v3\nC\nC History:\nC Who When What\nC ---------------------------------------------------------------------\nC Tan 07/18/11 - Created for MEGANv2.10\nC Ling Huang 06/13/17 - Updated for MEGANv3\nC=======================================================================\n\n CHARACTER*16 MAP_CB05MECH\n PARAMETER (MAP_CB05MECH = 'CB05 ')\n\n INTEGER N_CB05\n PARAMETER (N_CB05 = (145)) ! Number of map species\n\n CHARACTER*16 SPMH_NAM_CB05( N_CB05 ) ! speciated species name\n INTEGER SPMH_MAP_CB05( N_CB05 ) ! speciated species name\n ! mapped to SPC_SPCAT.EXT\n CHARACTER*16 MECH_NAM_CB05( N_CB05 ) ! mechanism species\n INTEGER MECH_MAP_CB05( N_CB05 ) ! mechanism species mapped\n\n REAL CONV_FAC_CB05( N_CB05 ) ! conversion factor\n\n \n DATA SPMH_NAM_CB05( 1) , SPMH_MAP_CB05( 1)\n & / 'isoprene ', 1 /\n DATA MECH_NAM_CB05( 1) , MECH_MAP_CB05( 1)\n & / 'ISOP ', 1 /\n DATA CONV_FAC_CB05( 1)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 2) , SPMH_MAP_CB05( 2)\n & / 'MBO_2m3e2ol ', 2 /\n DATA MECH_NAM_CB05( 2) , MECH_MAP_CB05( 2)\n & / 'OLE ', 5 /\n DATA CONV_FAC_CB05( 2)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 3) , SPMH_MAP_CB05( 3)\n & / 'MBO_2m3e2ol ', 2 /\n DATA MECH_NAM_CB05( 3) , MECH_MAP_CB05( 3)\n & / 'PAR ', 3 /\n DATA CONV_FAC_CB05( 3)\n & / 3 /\n \n DATA SPMH_NAM_CB05( 4) , SPMH_MAP_CB05( 4)\n & / 'pinene_a ', 3 /\n DATA MECH_NAM_CB05( 4) , MECH_MAP_CB05( 4)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB05( 4)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 5) , SPMH_MAP_CB05( 5)\n & / 'pinene_b ', 4 /\n DATA MECH_NAM_CB05( 5) , MECH_MAP_CB05( 5)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB05( 5)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 6) , SPMH_MAP_CB05( 6)\n & / 'myrcene ', 5 /\n DATA MECH_NAM_CB05( 6) , MECH_MAP_CB05( 6)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB05( 6)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 7) , SPMH_MAP_CB05( 7)\n & / 'ocimene_al ', 6 /\n DATA MECH_NAM_CB05( 7) , MECH_MAP_CB05( 7)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB05( 7)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 8) , SPMH_MAP_CB05( 8)\n & / 'ocimene_c_b ', 7 /\n DATA MECH_NAM_CB05( 8) , MECH_MAP_CB05( 8)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB05( 8)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 9) , SPMH_MAP_CB05( 9)\n & / 'ocimene_t_b ', 8 /\n DATA MECH_NAM_CB05( 9) , MECH_MAP_CB05( 9)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB05( 9)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 10) , SPMH_MAP_CB05( 10)\n & / 'camphene ', 10 /\n DATA MECH_NAM_CB05( 10) , MECH_MAP_CB05( 10)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB05( 10)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 11) , SPMH_MAP_CB05( 11)\n & / 'bornene ', 9 /\n DATA MECH_NAM_CB05( 11) , MECH_MAP_CB05( 11)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB05( 11)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 12) , SPMH_MAP_CB05( 12)\n & / 'fenchene_a ', 12 /\n DATA MECH_NAM_CB05( 12) , MECH_MAP_CB05( 12)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB05( 12)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 13) , SPMH_MAP_CB05( 13)\n & / 'tricyclene ', 14 /\n DATA MECH_NAM_CB05( 13) , MECH_MAP_CB05( 13)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB05( 13)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 14) , SPMH_MAP_CB05( 14)\n & / 'carene_3 ', 11 /\n DATA MECH_NAM_CB05( 14) , MECH_MAP_CB05( 14)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB05( 14)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 15) , SPMH_MAP_CB05( 15)\n & / 'fenchene_b ', 13 /\n DATA MECH_NAM_CB05( 15) , MECH_MAP_CB05( 15)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB05( 15)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 16) , SPMH_MAP_CB05( 16)\n & / 'phellandrene_a ', 17 /\n DATA MECH_NAM_CB05( 16) , MECH_MAP_CB05( 16)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB05( 16)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 17) , SPMH_MAP_CB05( 17)\n & / 'terpinene_g ', 20 /\n DATA MECH_NAM_CB05( 17) , MECH_MAP_CB05( 17)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB05( 17)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 18) , SPMH_MAP_CB05( 18)\n & / 'terpinene_a ', 19 /\n DATA MECH_NAM_CB05( 18) , MECH_MAP_CB05( 18)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB05( 18)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 19) , SPMH_MAP_CB05( 19)\n & / 'limonene ', 15 /\n DATA MECH_NAM_CB05( 19) , MECH_MAP_CB05( 19)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB05( 19)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 20) , SPMH_MAP_CB05( 20)\n & / 'phellandrene_b ', 16 /\n DATA MECH_NAM_CB05( 20) , MECH_MAP_CB05( 20)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB05( 20)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 21) , SPMH_MAP_CB05( 21)\n & / 'terpinolene ', 21 /\n DATA MECH_NAM_CB05( 21) , MECH_MAP_CB05( 21)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB05( 21)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 22) , SPMH_MAP_CB05( 22)\n & / 'thujene_a ', 22 /\n DATA MECH_NAM_CB05( 22) , MECH_MAP_CB05( 22)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB05( 22)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 23) , SPMH_MAP_CB05( 23)\n & / 'sabinene ', 18 /\n DATA MECH_NAM_CB05( 23) , MECH_MAP_CB05( 23)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB05( 23)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 24) , SPMH_MAP_CB05( 24)\n & / 'verbenene ', 23 /\n DATA MECH_NAM_CB05( 24) , MECH_MAP_CB05( 24)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB05( 24)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 25) , SPMH_MAP_CB05( 25)\n & / 'cymene_p ', 25 /\n DATA MECH_NAM_CB05( 25) , MECH_MAP_CB05( 25)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB05( 25)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 26) , SPMH_MAP_CB05( 26)\n & / 'cymene_o ', 24 /\n DATA MECH_NAM_CB05( 26) , MECH_MAP_CB05( 26)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB05( 26)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 27) , SPMH_MAP_CB05( 27)\n & / 'meta-cymenene ', 26 /\n DATA MECH_NAM_CB05( 27) , MECH_MAP_CB05( 27)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB05( 27)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 28) , SPMH_MAP_CB05( 28)\n & / 'p-cymenene ', 27 /\n DATA MECH_NAM_CB05( 28) , MECH_MAP_CB05( 28)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB05( 28)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 29) , SPMH_MAP_CB05( 29)\n & / 'camphor ', 30 /\n DATA MECH_NAM_CB05( 29) , MECH_MAP_CB05( 29)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB05( 29)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 30) , SPMH_MAP_CB05( 30)\n & / 'bornyl_ACT ', 29 /\n DATA MECH_NAM_CB05( 30) , MECH_MAP_CB05( 30)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB05( 30)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 31) , SPMH_MAP_CB05( 31)\n & / 'piperitone ', 38 /\n DATA MECH_NAM_CB05( 31) , MECH_MAP_CB05( 31)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB05( 31)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 32) , SPMH_MAP_CB05( 32)\n & / 'terpineol_a ', 40 /\n DATA MECH_NAM_CB05( 32) , MECH_MAP_CB05( 32)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB05( 32)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 33) , SPMH_MAP_CB05( 33)\n & / 'octanol ', 36 /\n DATA MECH_NAM_CB05( 33) , MECH_MAP_CB05( 33)\n & / 'PAR ', 3 /\n DATA CONV_FAC_CB05( 33)\n & / 8 /\n \n DATA SPMH_NAM_CB05( 34) , SPMH_MAP_CB05( 34)\n & / 'estragole ', 31 /\n DATA MECH_NAM_CB05( 34) , MECH_MAP_CB05( 34)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB05( 34)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 35) , SPMH_MAP_CB05( 35)\n & / 'borneol ', 28 /\n DATA MECH_NAM_CB05( 35) , MECH_MAP_CB05( 35)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB05( 35)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 36) , SPMH_MAP_CB05( 36)\n & / 'thujone_b ', 42 /\n DATA MECH_NAM_CB05( 36) , MECH_MAP_CB05( 36)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB05( 36)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 37) , SPMH_MAP_CB05( 37)\n & / 'thujone_a ', 41 /\n DATA MECH_NAM_CB05( 37) , MECH_MAP_CB05( 37)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB05( 37)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 38) , SPMH_MAP_CB05( 38)\n & / 'terpineol_4 ', 39 /\n DATA MECH_NAM_CB05( 38) , MECH_MAP_CB05( 38)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB05( 38)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 39) , SPMH_MAP_CB05( 39)\n & / 'myrtenal ', 35 /\n DATA MECH_NAM_CB05( 39) , MECH_MAP_CB05( 39)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB05( 39)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 40) , SPMH_MAP_CB05( 40)\n & / 'fenchone ', 32 /\n DATA MECH_NAM_CB05( 40) , MECH_MAP_CB05( 40)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB05( 40)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 41) , SPMH_MAP_CB05( 41)\n & / 'octenol_1e3ol ', 37 /\n DATA MECH_NAM_CB05( 41) , MECH_MAP_CB05( 41)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB05( 41)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 42) , SPMH_MAP_CB05( 42)\n & / 'ionone_b ', 33 /\n DATA MECH_NAM_CB05( 42) , MECH_MAP_CB05( 42)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB05( 42)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 43) , SPMH_MAP_CB05( 43)\n & / 'ipsenol ', 34 /\n DATA MECH_NAM_CB05( 43) , MECH_MAP_CB05( 43)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB05( 43)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 44) , SPMH_MAP_CB05( 44)\n & / 'caryophyllene_b ', 51 /\n DATA MECH_NAM_CB05( 44) , MECH_MAP_CB05( 44)\n & / 'SESQ ', 25 /\n DATA CONV_FAC_CB05( 44)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 45) , SPMH_MAP_CB05( 45)\n & / 'caryophyllene_c_i ', 52 /\n DATA MECH_NAM_CB05( 45) , MECH_MAP_CB05( 45)\n & / 'SESQ ', 25 /\n DATA CONV_FAC_CB05( 45)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 46) , SPMH_MAP_CB05( 46)\n & / 'cadinene_d ', 48 /\n DATA MECH_NAM_CB05( 46) , MECH_MAP_CB05( 46)\n & / 'SESQ ', 25 /\n DATA CONV_FAC_CB05( 46)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 47) , SPMH_MAP_CB05( 47)\n & / 'cadinene_d ', 48 /\n DATA MECH_NAM_CB05( 47) , MECH_MAP_CB05( 47)\n & / 'SESQ ', 25 /\n DATA CONV_FAC_CB05( 47)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 48) , SPMH_MAP_CB05( 48)\n & / 'bisabolene_b ', 47 /\n DATA MECH_NAM_CB05( 48) , MECH_MAP_CB05( 48)\n & / 'SESQ ', 25 /\n DATA CONV_FAC_CB05( 48)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 49) , SPMH_MAP_CB05( 49)\n & / 'farnescene_a ', 54 /\n DATA MECH_NAM_CB05( 49) , MECH_MAP_CB05( 49)\n & / 'SESQ ', 25 /\n DATA CONV_FAC_CB05( 49)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 50) , SPMH_MAP_CB05( 50)\n & / 'patchoulene_b ', 65 /\n DATA MECH_NAM_CB05( 50) , MECH_MAP_CB05( 50)\n & / 'SESQ ', 25 /\n DATA CONV_FAC_CB05( 50)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 51) , SPMH_MAP_CB05( 51)\n & / 'elemene_b ', 53 /\n DATA MECH_NAM_CB05( 51) , MECH_MAP_CB05( 51)\n & / 'SESQ ', 25 /\n DATA CONV_FAC_CB05( 51)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 52) , SPMH_MAP_CB05( 52)\n & / 'nerolidol_c ', 63 /\n DATA MECH_NAM_CB05( 52) , MECH_MAP_CB05( 52)\n & / 'SESQ ', 25 /\n DATA CONV_FAC_CB05( 52)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 53) , SPMH_MAP_CB05( 53)\n & / 'farnesol ', 56 /\n DATA MECH_NAM_CB05( 53) , MECH_MAP_CB05( 53)\n & / 'SESQ ', 25 /\n DATA CONV_FAC_CB05( 53)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 54) , SPMH_MAP_CB05( 54)\n & / 'humulene_a ', 59 /\n DATA MECH_NAM_CB05( 54) , MECH_MAP_CB05( 54)\n & / 'SESQ ', 25 /\n DATA CONV_FAC_CB05( 54)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 55) , SPMH_MAP_CB05( 55)\n & / 'muurolene_a ', 61 /\n DATA MECH_NAM_CB05( 55) , MECH_MAP_CB05( 55)\n & / 'SESQ ', 25 /\n DATA CONV_FAC_CB05( 55)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 56) , SPMH_MAP_CB05( 56)\n & / 'bergamotene_a ', 44 /\n DATA MECH_NAM_CB05( 56) , MECH_MAP_CB05( 56)\n & / 'SESQ ', 25 /\n DATA CONV_FAC_CB05( 56)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 57) , SPMH_MAP_CB05( 57)\n & / 'germacrene_B ', 57 /\n DATA MECH_NAM_CB05( 57) , MECH_MAP_CB05( 57)\n & / 'SESQ ', 25 /\n DATA CONV_FAC_CB05( 57)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 58) , SPMH_MAP_CB05( 58)\n & / 'selinene_b ', 66 /\n DATA MECH_NAM_CB05( 58) , MECH_MAP_CB05( 58)\n & / 'SESQ ', 25 /\n DATA CONV_FAC_CB05( 58)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 59) , SPMH_MAP_CB05( 59)\n & / 'calarene ', 50 /\n DATA MECH_NAM_CB05( 59) , MECH_MAP_CB05( 59)\n & / 'SESQ ', 25 /\n DATA CONV_FAC_CB05( 59)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 60) , SPMH_MAP_CB05( 60)\n & / 'farnescene_b ', 55 /\n DATA MECH_NAM_CB05( 60) , MECH_MAP_CB05( 60)\n & / 'SESQ ', 25 /\n DATA CONV_FAC_CB05( 60)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 61) , SPMH_MAP_CB05( 61)\n & / 'acoradiene ', 43 /\n DATA MECH_NAM_CB05( 61) , MECH_MAP_CB05( 61)\n & / 'SESQ ', 25 /\n DATA CONV_FAC_CB05( 61)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 62) , SPMH_MAP_CB05( 62)\n & / 'humulene_g ', 60 /\n DATA MECH_NAM_CB05( 62) , MECH_MAP_CB05( 62)\n & / 'SESQ ', 25 /\n DATA CONV_FAC_CB05( 62)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 63) , SPMH_MAP_CB05( 63)\n & / 'muurolene_g ', 62 /\n DATA MECH_NAM_CB05( 63) , MECH_MAP_CB05( 63)\n & / 'SESQ ', 25 /\n DATA CONV_FAC_CB05( 63)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 64) , SPMH_MAP_CB05( 64)\n & / 'germacrene_D ', 58 /\n DATA MECH_NAM_CB05( 64) , MECH_MAP_CB05( 64)\n & / 'SESQ ', 25 /\n DATA CONV_FAC_CB05( 64)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 65) , SPMH_MAP_CB05( 65)\n & / 'cadinene_g ', 49 /\n DATA MECH_NAM_CB05( 65) , MECH_MAP_CB05( 65)\n & / 'SESQ ', 25 /\n DATA CONV_FAC_CB05( 65)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 66) , SPMH_MAP_CB05( 66)\n & / 'nerolidol_t ', 64 /\n DATA MECH_NAM_CB05( 66) , MECH_MAP_CB05( 66)\n & / 'SESQ ', 25 /\n DATA CONV_FAC_CB05( 66)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 67) , SPMH_MAP_CB05( 67)\n & / 'bergamotene_b ', 45 /\n DATA MECH_NAM_CB05( 67) , MECH_MAP_CB05( 67)\n & / 'SESQ ', 25 /\n DATA CONV_FAC_CB05( 67)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 68) , SPMH_MAP_CB05( 68)\n & / 'bisabolene_a ', 46 /\n DATA MECH_NAM_CB05( 68) , MECH_MAP_CB05( 68)\n & / 'SESQ ', 25 /\n DATA CONV_FAC_CB05( 68)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 69) , SPMH_MAP_CB05( 69)\n & / 'cedrol ', 73 /\n DATA MECH_NAM_CB05( 69) , MECH_MAP_CB05( 69)\n & / 'SESQ ', 25 /\n DATA CONV_FAC_CB05( 69)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 70) , SPMH_MAP_CB05( 70)\n & / 'homosalate ', 78 /\n DATA MECH_NAM_CB05( 70) , MECH_MAP_CB05( 70)\n & / 'SESQ ', 25 /\n DATA CONV_FAC_CB05( 70)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 71) , SPMH_MAP_CB05( 71)\n & / '2ethyl_hexyl_salate ', 68 /\n DATA MECH_NAM_CB05( 71) , MECH_MAP_CB05( 71)\n & / 'SESQ ', 25 /\n DATA CONV_FAC_CB05( 71)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 72) , SPMH_MAP_CB05( 72)\n & / 'cedrene_a ', 72 /\n DATA MECH_NAM_CB05( 72) , MECH_MAP_CB05( 72)\n & / 'SESQ ', 25 /\n DATA CONV_FAC_CB05( 72)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 73) , SPMH_MAP_CB05( 73)\n & / 'thujopsene ', 83 /\n DATA MECH_NAM_CB05( 73) , MECH_MAP_CB05( 73)\n & / 'SESQ ', 25 /\n DATA CONV_FAC_CB05( 73)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 74) , SPMH_MAP_CB05( 74)\n & / 'longifolene ', 81 /\n DATA MECH_NAM_CB05( 74) , MECH_MAP_CB05( 74)\n & / 'SESQ ', 25 /\n DATA CONV_FAC_CB05( 74)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 75) , SPMH_MAP_CB05( 75)\n & / 'cadinol_a ', 71 /\n DATA MECH_NAM_CB05( 75) , MECH_MAP_CB05( 75)\n & / 'SESQ ', 25 /\n DATA CONV_FAC_CB05( 75)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 76) , SPMH_MAP_CB05( 76)\n & / 'zingiberene_a ', 85 /\n DATA MECH_NAM_CB05( 76) , MECH_MAP_CB05( 76)\n & / 'SESQ ', 25 /\n DATA CONV_FAC_CB05( 76)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 77) , SPMH_MAP_CB05( 77)\n & / 'isolongifolene ', 79 /\n DATA MECH_NAM_CB05( 77) , MECH_MAP_CB05( 77)\n & / 'SESQ ', 25 /\n DATA CONV_FAC_CB05( 77)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 78) , SPMH_MAP_CB05( 78)\n & / 'longicyclene ', 87 /\n DATA MECH_NAM_CB05( 78) , MECH_MAP_CB05( 78)\n & / 'SESQ ', 25 /\n DATA CONV_FAC_CB05( 78)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 79) , SPMH_MAP_CB05( 79)\n & / 'copaene_a ', 74 /\n DATA MECH_NAM_CB05( 79) , MECH_MAP_CB05( 79)\n & / 'SESQ ', 25 /\n DATA CONV_FAC_CB05( 79)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 80) , SPMH_MAP_CB05( 80)\n & / 'bourbonene_b ', 70 /\n DATA MECH_NAM_CB05( 80) , MECH_MAP_CB05( 80)\n & / 'SESQ ', 25 /\n DATA CONV_FAC_CB05( 80)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 81) , SPMH_MAP_CB05( 81)\n & / 'longipinene ', 82 /\n DATA MECH_NAM_CB05( 81) , MECH_MAP_CB05( 81)\n & / 'SESQ ', 25 /\n DATA CONV_FAC_CB05( 81)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 82) , SPMH_MAP_CB05( 82)\n & / 'cubebene_b ', 76 /\n DATA MECH_NAM_CB05( 82) , MECH_MAP_CB05( 82)\n & / 'SESQ ', 25 /\n DATA CONV_FAC_CB05( 82)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 83) , SPMH_MAP_CB05( 83)\n & / 'ylangene_a ', 84 /\n DATA MECH_NAM_CB05( 83) , MECH_MAP_CB05( 83)\n & / 'SESQ ', 25 /\n DATA CONV_FAC_CB05( 83)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 84) , SPMH_MAP_CB05( 84)\n & / 'cubebene_a ', 75 /\n DATA MECH_NAM_CB05( 84) , MECH_MAP_CB05( 84)\n & / 'SESQ ', 25 /\n DATA CONV_FAC_CB05( 84)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 85) , SPMH_MAP_CB05( 85)\n & / 'copaene_b ', 86 /\n DATA MECH_NAM_CB05( 85) , MECH_MAP_CB05( 85)\n & / 'SESQ ', 25 /\n DATA CONV_FAC_CB05( 85)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 86) , SPMH_MAP_CB05( 86)\n & / 'kaur_16_ene ', 80 /\n DATA MECH_NAM_CB05( 86) , MECH_MAP_CB05( 86)\n & / 'SESQ ', 25 /\n DATA CONV_FAC_CB05( 86)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 87) , SPMH_MAP_CB05( 87)\n & / 'gurjunene_b ', 77 /\n DATA MECH_NAM_CB05( 87) , MECH_MAP_CB05( 87)\n & / 'SESQ ', 25 /\n DATA CONV_FAC_CB05( 87)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 88) , SPMH_MAP_CB05( 88)\n & / 'aromadendrene ', 69 /\n DATA MECH_NAM_CB05( 88) , MECH_MAP_CB05( 88)\n & / 'SESQ ', 25 /\n DATA CONV_FAC_CB05( 88)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 89) , SPMH_MAP_CB05( 89)\n & / 'methanol ', 88 /\n DATA MECH_NAM_CB05( 89) , MECH_MAP_CB05( 89)\n & / 'MEOH ', 7 /\n DATA CONV_FAC_CB05( 89)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 90) , SPMH_MAP_CB05( 90)\n & / 'acetone ', 89 /\n DATA MECH_NAM_CB05( 90) , MECH_MAP_CB05( 90)\n & / 'PAR ', 3 /\n DATA CONV_FAC_CB05( 90)\n & / 3 /\n \n DATA SPMH_NAM_CB05( 91) , SPMH_MAP_CB05( 91)\n & / 'ethanol ', 91 /\n DATA MECH_NAM_CB05( 91) , MECH_MAP_CB05( 91)\n & / 'ETOH ', 12 /\n DATA CONV_FAC_CB05( 91)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 92) , SPMH_MAP_CB05( 92)\n & / 'acetaldehyde ', 90 /\n DATA MECH_NAM_CB05( 92) , MECH_MAP_CB05( 92)\n & / 'ALD2 ', 11 /\n DATA CONV_FAC_CB05( 92)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 93) , SPMH_MAP_CB05( 93)\n & / 'formic_acid ', 93 /\n DATA MECH_NAM_CB05( 93) , MECH_MAP_CB05( 93)\n & / 'FACD ', 21 /\n DATA CONV_FAC_CB05( 93)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 94) , SPMH_MAP_CB05( 94)\n & / 'acetic_acid ', 92 /\n DATA MECH_NAM_CB05( 94) , MECH_MAP_CB05( 94)\n & / 'AACD ', 20 /\n DATA CONV_FAC_CB05( 94)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 95) , SPMH_MAP_CB05( 95)\n & / 'ethane ', 100 /\n DATA MECH_NAM_CB05( 95) , MECH_MAP_CB05( 95)\n & / 'ETHA ', 18 /\n DATA CONV_FAC_CB05( 95)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 96) , SPMH_MAP_CB05( 96)\n & / 'ethene ', 101 /\n DATA MECH_NAM_CB05( 96) , MECH_MAP_CB05( 96)\n & / 'ETH ', 19 /\n DATA CONV_FAC_CB05( 96)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 97) , SPMH_MAP_CB05( 97)\n & / 'propane ', 102 /\n DATA MECH_NAM_CB05( 97) , MECH_MAP_CB05( 97)\n & / 'PAR ', 3 /\n DATA CONV_FAC_CB05( 97)\n & / 1.5 /\n \n DATA SPMH_NAM_CB05( 98) , SPMH_MAP_CB05( 98)\n & / 'butene ', 97 /\n DATA MECH_NAM_CB05( 98) , MECH_MAP_CB05( 98)\n & / 'OLE ', 5 /\n DATA CONV_FAC_CB05( 98)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 99) , SPMH_MAP_CB05( 99)\n & / 'butene ', 97 /\n DATA MECH_NAM_CB05( 99) , MECH_MAP_CB05( 99)\n & / 'PAR ', 3 /\n DATA CONV_FAC_CB05( 99)\n & / 2 /\n \n DATA SPMH_NAM_CB05( 100) , SPMH_MAP_CB05( 100)\n & / 'propene ', 103 /\n DATA MECH_NAM_CB05( 100) , MECH_MAP_CB05( 100)\n & / 'OLE ', 5 /\n DATA CONV_FAC_CB05( 100)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 101) , SPMH_MAP_CB05( 101)\n & / 'propene ', 103 /\n DATA MECH_NAM_CB05( 101) , MECH_MAP_CB05( 101)\n & / 'PAR ', 3 /\n DATA CONV_FAC_CB05( 101)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 102) , SPMH_MAP_CB05( 102)\n & / '2_methylprop_1_ene ', 95 /\n DATA MECH_NAM_CB05( 102) , MECH_MAP_CB05( 102)\n & / 'OLE ', 5 /\n DATA CONV_FAC_CB05( 102)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 103) , SPMH_MAP_CB05( 103)\n & / '2_methylprop_1_ene ', 95 /\n DATA MECH_NAM_CB05( 103) , MECH_MAP_CB05( 103)\n & / 'PAR ', 3 /\n DATA CONV_FAC_CB05( 103)\n & / 2 /\n \n DATA SPMH_NAM_CB05( 104) , SPMH_MAP_CB05( 104)\n & / 'butene_c2 ', 98 /\n DATA MECH_NAM_CB05( 104) , MECH_MAP_CB05( 104)\n & / 'IOLE ', 16 /\n DATA CONV_FAC_CB05( 104)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 105) , SPMH_MAP_CB05( 105)\n & / 'butene_t2 ', 99 /\n DATA MECH_NAM_CB05( 105) , MECH_MAP_CB05( 105)\n & / 'IOLE ', 16 /\n DATA CONV_FAC_CB05( 105)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 106) , SPMH_MAP_CB05( 106)\n & / 'formaldehyde ', 113 /\n DATA MECH_NAM_CB05( 106) , MECH_MAP_CB05( 106)\n & / 'FORM ', 13 /\n DATA CONV_FAC_CB05( 106)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 107) , SPMH_MAP_CB05( 107)\n & / 'met_heptenone ', 106 /\n DATA MECH_NAM_CB05( 107) , MECH_MAP_CB05( 107)\n & / 'ISPD ', 23 /\n DATA CONV_FAC_CB05( 107)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 108) , SPMH_MAP_CB05( 108)\n & / 'oxopentanal ', 114 /\n DATA MECH_NAM_CB05( 108) , MECH_MAP_CB05( 108)\n & / 'ISPD ', 23 /\n DATA CONV_FAC_CB05( 108)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 109) , SPMH_MAP_CB05( 109)\n & / 'geranyl_acetone ', 105 /\n DATA MECH_NAM_CB05( 109) , MECH_MAP_CB05( 109)\n & / 'ISPD ', 23 /\n DATA CONV_FAC_CB05( 109)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 110) , SPMH_MAP_CB05( 110)\n & / 'hexanal ', 141 /\n DATA MECH_NAM_CB05( 110) , MECH_MAP_CB05( 110)\n & / 'ISPD ', 23 /\n DATA CONV_FAC_CB05( 110)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 111) , SPMH_MAP_CB05( 111)\n & / 'hydrogen_cyanide ', 147 /\n DATA MECH_NAM_CB05( 111) , MECH_MAP_CB05( 111)\n & / 'HCN ', 22 /\n DATA CONV_FAC_CB05( 111)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 112) , SPMH_MAP_CB05( 112)\n & / 'linalool ', 150 /\n DATA MECH_NAM_CB05( 112) , MECH_MAP_CB05( 112)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB05( 112)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 113) , SPMH_MAP_CB05( 113)\n & / 'methacrolein ', 153 /\n DATA MECH_NAM_CB05( 113) , MECH_MAP_CB05( 113)\n & / 'ISPD ', 23 /\n DATA CONV_FAC_CB05( 113)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 114) , SPMH_MAP_CB05( 114)\n & / 'met_vinylketone ', 158 /\n DATA MECH_NAM_CB05( 114) , MECH_MAP_CB05( 114)\n & / 'ISPD ', 23 /\n DATA CONV_FAC_CB05( 114)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 115) , SPMH_MAP_CB05( 115)\n & / 'hexanol_1 ', 142 /\n DATA MECH_NAM_CB05( 115) , MECH_MAP_CB05( 115)\n & / 'ISPD ', 23 /\n DATA CONV_FAC_CB05( 115)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 116) , SPMH_MAP_CB05( 116)\n & / 'met_salicylate ', 156 /\n DATA MECH_NAM_CB05( 116) , MECH_MAP_CB05( 116)\n & / 'ISPD ', 23 /\n DATA CONV_FAC_CB05( 116)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 117) , SPMH_MAP_CB05( 117)\n & / 'cineole_1_8 ', 133 /\n DATA MECH_NAM_CB05( 117) , MECH_MAP_CB05( 117)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB05( 117)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 118) , SPMH_MAP_CB05( 118)\n & / 'hexenal_t2 ', 144 /\n DATA MECH_NAM_CB05( 118) , MECH_MAP_CB05( 118)\n & / 'ISPD ', 23 /\n DATA CONV_FAC_CB05( 118)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 119) , SPMH_MAP_CB05( 119)\n & / 'hexenol_c3 ', 145 /\n DATA MECH_NAM_CB05( 119) , MECH_MAP_CB05( 119)\n & / 'ISPD ', 23 /\n DATA CONV_FAC_CB05( 119)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 120) , SPMH_MAP_CB05( 120)\n & / 'hexenyl_ACT_c3 ', 146 /\n DATA MECH_NAM_CB05( 120) , MECH_MAP_CB05( 120)\n & / 'ISPD ', 23 /\n DATA CONV_FAC_CB05( 120)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 121) , SPMH_MAP_CB05( 121)\n & / 'hexenal_c3 ', 143 /\n DATA MECH_NAM_CB05( 121) , MECH_MAP_CB05( 121)\n & / 'ISPD ', 23 /\n DATA CONV_FAC_CB05( 121)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 122) , SPMH_MAP_CB05( 122)\n & / '2met_nonatriene ', 137 /\n DATA MECH_NAM_CB05( 122) , MECH_MAP_CB05( 122)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB05( 122)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 123) , SPMH_MAP_CB05( 123)\n & / 'methane ', 184 /\n DATA MECH_NAM_CB05( 123) , MECH_MAP_CB05( 123)\n & / 'CH4 ', 8 /\n DATA CONV_FAC_CB05( 123)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 124) , SPMH_MAP_CB05( 124)\n & / 'met_bromide ', 185 /\n DATA MECH_NAM_CB05( 124) , MECH_MAP_CB05( 124)\n & / 'CH3BR ', 27 /\n DATA CONV_FAC_CB05( 124)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 125) , SPMH_MAP_CB05( 125)\n & / 'met_chloride ', 186 /\n DATA MECH_NAM_CB05( 125) , MECH_MAP_CB05( 125)\n & / 'CH3CL ', 28 /\n DATA CONV_FAC_CB05( 125)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 126) , SPMH_MAP_CB05( 126)\n & / 'met_iodide ', 187 /\n DATA MECH_NAM_CB05( 126) , MECH_MAP_CB05( 126)\n & / 'CH3I ', 29 /\n DATA CONV_FAC_CB05( 126)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 127) , SPMH_MAP_CB05( 127)\n & / 'met_mercaptan ', 188 /\n DATA MECH_NAM_CB05( 127) , MECH_MAP_CB05( 127)\n & / 'TRS ', 26 /\n DATA CONV_FAC_CB05( 127)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 128) , SPMH_MAP_CB05( 128)\n & / 'carbon_2s ', 171 /\n DATA MECH_NAM_CB05( 128) , MECH_MAP_CB05( 128)\n & / 'TRS ', 26 /\n DATA CONV_FAC_CB05( 128)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 129) , SPMH_MAP_CB05( 129)\n & / '2met_s ', 176 /\n DATA MECH_NAM_CB05( 129) , MECH_MAP_CB05( 129)\n & / 'TRS ', 26 /\n DATA CONV_FAC_CB05( 129)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 130) , SPMH_MAP_CB05( 130)\n & / 'butanone_2 ', 170 /\n DATA MECH_NAM_CB05( 130) , MECH_MAP_CB05( 130)\n & / 'ISPD ', 23 /\n DATA CONV_FAC_CB05( 130)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 131) , SPMH_MAP_CB05( 131)\n & / 'terpinyl_ACT_a ', 197 /\n DATA MECH_NAM_CB05( 131) , MECH_MAP_CB05( 131)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB05( 131)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 132) , SPMH_MAP_CB05( 132)\n & / 'pentane ', 193 /\n DATA MECH_NAM_CB05( 132) , MECH_MAP_CB05( 132)\n & / 'PAR ', 3 /\n DATA CONV_FAC_CB05( 132)\n & / 5 /\n \n DATA SPMH_NAM_CB05( 133) , SPMH_MAP_CB05( 133)\n & / 'hexane ', 181 /\n DATA MECH_NAM_CB05( 133) , MECH_MAP_CB05( 133)\n & / 'PAR ', 3 /\n DATA CONV_FAC_CB05( 133)\n & / 6 /\n \n DATA SPMH_NAM_CB05( 134) , SPMH_MAP_CB05( 134)\n & / 'decane ', 173 /\n DATA MECH_NAM_CB05( 134) , MECH_MAP_CB05( 134)\n & / 'PAR ', 3 /\n DATA CONV_FAC_CB05( 134)\n & / 10 /\n \n DATA SPMH_NAM_CB05( 135) , SPMH_MAP_CB05( 135)\n & / 'heptane ', 179 /\n DATA MECH_NAM_CB05( 135) , MECH_MAP_CB05( 135)\n & / 'PAR ', 3 /\n DATA CONV_FAC_CB05( 135)\n & / 7 /\n \n DATA SPMH_NAM_CB05( 136) , SPMH_MAP_CB05( 136)\n & / 'carbonyl_s ', 172 /\n DATA MECH_NAM_CB05( 136) , MECH_MAP_CB05( 136)\n & / 'TRS ', 26 /\n DATA CONV_FAC_CB05( 136)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 137) , SPMH_MAP_CB05( 137)\n & / '2met_2s ', 175 /\n DATA MECH_NAM_CB05( 137) , MECH_MAP_CB05( 137)\n & / 'TRS ', 26 /\n DATA CONV_FAC_CB05( 137)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 138) , SPMH_MAP_CB05( 138)\n & / 'undecane ', 199 /\n DATA MECH_NAM_CB05( 138) , MECH_MAP_CB05( 138)\n & / 'PAR ', 3 /\n DATA CONV_FAC_CB05( 138)\n & / 11 /\n \n DATA SPMH_NAM_CB05( 139) , SPMH_MAP_CB05( 139)\n & / 'tetradecene_1 ', 198 /\n DATA MECH_NAM_CB05( 139) , MECH_MAP_CB05( 139)\n & / 'PAR ', 3 /\n DATA CONV_FAC_CB05( 139)\n & / 14 /\n \n DATA SPMH_NAM_CB05( 140) , SPMH_MAP_CB05( 140)\n & / 'diallyl_2s ', 174 /\n DATA MECH_NAM_CB05( 140) , MECH_MAP_CB05( 140)\n & / 'TRS ', 26 /\n DATA CONV_FAC_CB05( 140)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 141) , SPMH_MAP_CB05( 141)\n & / 'PPPP_2s ', 194 /\n DATA MECH_NAM_CB05( 141) , MECH_MAP_CB05( 141)\n & / 'TRS ', 26 /\n DATA CONV_FAC_CB05( 141)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 142) , SPMH_MAP_CB05( 142)\n & / 'met_propenyl_2s ', 189 /\n DATA MECH_NAM_CB05( 142) , MECH_MAP_CB05( 142)\n & / 'TRS ', 26 /\n DATA CONV_FAC_CB05( 142)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 143) , SPMH_MAP_CB05( 143)\n & / 'hydrogen_s ', 182 /\n DATA MECH_NAM_CB05( 143) , MECH_MAP_CB05( 143)\n & / 'TRS ', 26 /\n DATA CONV_FAC_CB05( 143)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 144) , SPMH_MAP_CB05( 144)\n & / 'carbon_monoxide ', 200 /\n DATA MECH_NAM_CB05( 144) , MECH_MAP_CB05( 144)\n & / 'CO ', 17 /\n DATA CONV_FAC_CB05( 144)\n & / 1 /\n \n DATA SPMH_NAM_CB05( 145) , SPMH_MAP_CB05( 145)\n & / 'nitric_OXD ', 201 /\n DATA MECH_NAM_CB05( 145) , MECH_MAP_CB05( 145)\n & / 'NO ', 10 /\n DATA CONV_FAC_CB05( 145)\n & / 1 /\n \n" }, { "path": "CCTM/src/biog/megan3/MAP_CV2CB6.EXT", "content": "C=======================================================================\nC MAP_CV2CB6.EXT\nC This include file contains conversion table for 201 speciated species\nC to CB6 (CMAQ/CAMx) species\nC\nC\nC MEGAN v3\nC\nC History:\nC Who When What\nC ---------------------------------------------------------------------\nC Tan 07/18/11 - Created for MEGANv2.10\nC Ling Huang 06/13/17 - Updated for MEGANv3\nC=======================================================================\n\n CHARACTER*16 MAP_CB6MECH\n PARAMETER (MAP_CB6MECH = 'CB6 ')\n\n INTEGER N_CB6\n PARAMETER (N_CB6 = (147)) ! Number of map species\n\n CHARACTER*16 SPMH_NAM_CB6( N_CB6 ) ! speciated species name\n INTEGER SPMH_MAP_CB6( N_CB6 ) ! speciated species name\n ! mapped to SPC_SPCAT.EXT\n CHARACTER*16 MECH_NAM_CB6( N_CB6 ) ! mechanism species\n INTEGER MECH_MAP_CB6( N_CB6 ) ! mechanism species mapped\n\n REAL CONV_FAC_CB6( N_CB6 ) ! conversion factor\n\n \n DATA SPMH_NAM_CB6( 1) , SPMH_MAP_CB6( 1)\n & / 'isoprene ', 1 /\n DATA MECH_NAM_CB6( 1) , MECH_MAP_CB6( 1)\n & / 'ISOP ', 1 /\n DATA CONV_FAC_CB6( 1)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 2) , SPMH_MAP_CB6( 2)\n & / 'MBO_2m3e2ol ', 2 /\n DATA MECH_NAM_CB6( 2) , MECH_MAP_CB6( 2)\n & / 'OLE ', 5 /\n DATA CONV_FAC_CB6( 2)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 3) , SPMH_MAP_CB6( 3)\n & / 'MBO_2m3e2ol ', 2 /\n DATA MECH_NAM_CB6( 3) , MECH_MAP_CB6( 3)\n & / 'PAR ', 3 /\n DATA CONV_FAC_CB6( 3)\n & / 3 /\n \n DATA SPMH_NAM_CB6( 4) , SPMH_MAP_CB6( 4)\n & / 'pinene_a ', 3 /\n DATA MECH_NAM_CB6( 4) , MECH_MAP_CB6( 4)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6( 4)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 5) , SPMH_MAP_CB6( 5)\n & / 'pinene_b ', 4 /\n DATA MECH_NAM_CB6( 5) , MECH_MAP_CB6( 5)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6( 5)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 6) , SPMH_MAP_CB6( 6)\n & / 'myrcene ', 5 /\n DATA MECH_NAM_CB6( 6) , MECH_MAP_CB6( 6)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6( 6)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 7) , SPMH_MAP_CB6( 7)\n & / 'ocimene_al ', 6 /\n DATA MECH_NAM_CB6( 7) , MECH_MAP_CB6( 7)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6( 7)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 8) , SPMH_MAP_CB6( 8)\n & / 'ocimene_c_b ', 7 /\n DATA MECH_NAM_CB6( 8) , MECH_MAP_CB6( 8)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6( 8)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 9) , SPMH_MAP_CB6( 9)\n & / 'ocimene_t_b ', 8 /\n DATA MECH_NAM_CB6( 9) , MECH_MAP_CB6( 9)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6( 9)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 10) , SPMH_MAP_CB6( 10)\n & / 'camphene ', 10 /\n DATA MECH_NAM_CB6( 10) , MECH_MAP_CB6( 10)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6( 10)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 11) , SPMH_MAP_CB6( 11)\n & / 'bornene ', 9 /\n DATA MECH_NAM_CB6( 11) , MECH_MAP_CB6( 11)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6( 11)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 12) , SPMH_MAP_CB6( 12)\n & / 'fenchene_a ', 12 /\n DATA MECH_NAM_CB6( 12) , MECH_MAP_CB6( 12)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6( 12)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 13) , SPMH_MAP_CB6( 13)\n & / 'tricyclene ', 14 /\n DATA MECH_NAM_CB6( 13) , MECH_MAP_CB6( 13)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6( 13)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 14) , SPMH_MAP_CB6( 14)\n & / 'carene_3 ', 11 /\n DATA MECH_NAM_CB6( 14) , MECH_MAP_CB6( 14)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6( 14)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 15) , SPMH_MAP_CB6( 15)\n & / 'fenchene_b ', 13 /\n DATA MECH_NAM_CB6( 15) , MECH_MAP_CB6( 15)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6( 15)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 16) , SPMH_MAP_CB6( 16)\n & / 'phellandrene_a ', 17 /\n DATA MECH_NAM_CB6( 16) , MECH_MAP_CB6( 16)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6( 16)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 17) , SPMH_MAP_CB6( 17)\n & / 'terpinene_g ', 20 /\n DATA MECH_NAM_CB6( 17) , MECH_MAP_CB6( 17)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6( 17)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 18) , SPMH_MAP_CB6( 18)\n & / 'terpinene_a ', 19 /\n DATA MECH_NAM_CB6( 18) , MECH_MAP_CB6( 18)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6( 18)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 19) , SPMH_MAP_CB6( 19)\n & / 'limonene ', 15 /\n DATA MECH_NAM_CB6( 19) , MECH_MAP_CB6( 19)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6( 19)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 20) , SPMH_MAP_CB6( 20)\n & / 'phellandrene_b ', 16 /\n DATA MECH_NAM_CB6( 20) , MECH_MAP_CB6( 20)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6( 20)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 21) , SPMH_MAP_CB6( 21)\n & / 'terpinolene ', 21 /\n DATA MECH_NAM_CB6( 21) , MECH_MAP_CB6( 21)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6( 21)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 22) , SPMH_MAP_CB6( 22)\n & / 'thujene_a ', 22 /\n DATA MECH_NAM_CB6( 22) , MECH_MAP_CB6( 22)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6( 22)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 23) , SPMH_MAP_CB6( 23)\n & / 'sabinene ', 18 /\n DATA MECH_NAM_CB6( 23) , MECH_MAP_CB6( 23)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6( 23)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 24) , SPMH_MAP_CB6( 24)\n & / 'verbenene ', 23 /\n DATA MECH_NAM_CB6( 24) , MECH_MAP_CB6( 24)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6( 24)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 25) , SPMH_MAP_CB6( 25)\n & / 'cymene_p ', 25 /\n DATA MECH_NAM_CB6( 25) , MECH_MAP_CB6( 25)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6( 25)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 26) , SPMH_MAP_CB6( 26)\n & / 'cymene_o ', 24 /\n DATA MECH_NAM_CB6( 26) , MECH_MAP_CB6( 26)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6( 26)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 27) , SPMH_MAP_CB6( 27)\n & / 'meta-cymenene ', 26 /\n DATA MECH_NAM_CB6( 27) , MECH_MAP_CB6( 27)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6( 27)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 28) , SPMH_MAP_CB6( 28)\n & / 'p-cymenene ', 27 /\n DATA MECH_NAM_CB6( 28) , MECH_MAP_CB6( 28)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6( 28)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 29) , SPMH_MAP_CB6( 29)\n & / 'camphor ', 30 /\n DATA MECH_NAM_CB6( 29) , MECH_MAP_CB6( 29)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6( 29)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 30) , SPMH_MAP_CB6( 30)\n & / 'bornyl_ACT ', 29 /\n DATA MECH_NAM_CB6( 30) , MECH_MAP_CB6( 30)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6( 30)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 31) , SPMH_MAP_CB6( 31)\n & / 'piperitone ', 38 /\n DATA MECH_NAM_CB6( 31) , MECH_MAP_CB6( 31)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6( 31)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 32) , SPMH_MAP_CB6( 32)\n & / 'terpineol_a ', 40 /\n DATA MECH_NAM_CB6( 32) , MECH_MAP_CB6( 32)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6( 32)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 33) , SPMH_MAP_CB6( 33)\n & / 'octanol ', 36 /\n DATA MECH_NAM_CB6( 33) , MECH_MAP_CB6( 33)\n & / 'PAR ', 3 /\n DATA CONV_FAC_CB6( 33)\n & / 8 /\n \n DATA SPMH_NAM_CB6( 34) , SPMH_MAP_CB6( 34)\n & / 'estragole ', 31 /\n DATA MECH_NAM_CB6( 34) , MECH_MAP_CB6( 34)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6( 34)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 35) , SPMH_MAP_CB6( 35)\n & / 'borneol ', 28 /\n DATA MECH_NAM_CB6( 35) , MECH_MAP_CB6( 35)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6( 35)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 36) , SPMH_MAP_CB6( 36)\n & / 'thujone_b ', 42 /\n DATA MECH_NAM_CB6( 36) , MECH_MAP_CB6( 36)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6( 36)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 37) , SPMH_MAP_CB6( 37)\n & / 'thujone_a ', 41 /\n DATA MECH_NAM_CB6( 37) , MECH_MAP_CB6( 37)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6( 37)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 38) , SPMH_MAP_CB6( 38)\n & / 'terpineol_4 ', 39 /\n DATA MECH_NAM_CB6( 38) , MECH_MAP_CB6( 38)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6( 38)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 39) , SPMH_MAP_CB6( 39)\n & / 'myrtenal ', 35 /\n DATA MECH_NAM_CB6( 39) , MECH_MAP_CB6( 39)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6( 39)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 40) , SPMH_MAP_CB6( 40)\n & / 'fenchone ', 32 /\n DATA MECH_NAM_CB6( 40) , MECH_MAP_CB6( 40)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6( 40)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 41) , SPMH_MAP_CB6( 41)\n & / 'octenol_1e3ol ', 37 /\n DATA MECH_NAM_CB6( 41) , MECH_MAP_CB6( 41)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6( 41)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 42) , SPMH_MAP_CB6( 42)\n & / 'ionone_b ', 33 /\n DATA MECH_NAM_CB6( 42) , MECH_MAP_CB6( 42)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6( 42)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 43) , SPMH_MAP_CB6( 43)\n & / 'ipsenol ', 34 /\n DATA MECH_NAM_CB6( 43) , MECH_MAP_CB6( 43)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6( 43)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 44) , SPMH_MAP_CB6( 44)\n & / 'caryophyllene_b ', 51 /\n DATA MECH_NAM_CB6( 44) , MECH_MAP_CB6( 44)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6( 44)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 45) , SPMH_MAP_CB6( 45)\n & / 'caryophyllene_c_i ', 52 /\n DATA MECH_NAM_CB6( 45) , MECH_MAP_CB6( 45)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6( 45)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 46) , SPMH_MAP_CB6( 46)\n & / 'cadinene_d ', 48 /\n DATA MECH_NAM_CB6( 46) , MECH_MAP_CB6( 46)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6( 46)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 47) , SPMH_MAP_CB6( 47)\n & / 'cadinene_d ', 48 /\n DATA MECH_NAM_CB6( 47) , MECH_MAP_CB6( 47)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6( 47)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 48) , SPMH_MAP_CB6( 48)\n & / 'bisabolene_b ', 47 /\n DATA MECH_NAM_CB6( 48) , MECH_MAP_CB6( 48)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6( 48)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 49) , SPMH_MAP_CB6( 49)\n & / 'farnescene_a ', 54 /\n DATA MECH_NAM_CB6( 49) , MECH_MAP_CB6( 49)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6( 49)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 50) , SPMH_MAP_CB6( 50)\n & / 'patchoulene_b ', 65 /\n DATA MECH_NAM_CB6( 50) , MECH_MAP_CB6( 50)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6( 50)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 51) , SPMH_MAP_CB6( 51)\n & / 'elemene_b ', 53 /\n DATA MECH_NAM_CB6( 51) , MECH_MAP_CB6( 51)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6( 51)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 52) , SPMH_MAP_CB6( 52)\n & / 'nerolidol_c ', 63 /\n DATA MECH_NAM_CB6( 52) , MECH_MAP_CB6( 52)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6( 52)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 53) , SPMH_MAP_CB6( 53)\n & / 'farnesol ', 56 /\n DATA MECH_NAM_CB6( 53) , MECH_MAP_CB6( 53)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6( 53)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 54) , SPMH_MAP_CB6( 54)\n & / 'humulene_a ', 59 /\n DATA MECH_NAM_CB6( 54) , MECH_MAP_CB6( 54)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6( 54)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 55) , SPMH_MAP_CB6( 55)\n & / 'muurolene_a ', 61 /\n DATA MECH_NAM_CB6( 55) , MECH_MAP_CB6( 55)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6( 55)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 56) , SPMH_MAP_CB6( 56)\n & / 'bergamotene_a ', 44 /\n DATA MECH_NAM_CB6( 56) , MECH_MAP_CB6( 56)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6( 56)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 57) , SPMH_MAP_CB6( 57)\n & / 'germacrene_B ', 57 /\n DATA MECH_NAM_CB6( 57) , MECH_MAP_CB6( 57)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6( 57)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 58) , SPMH_MAP_CB6( 58)\n & / 'selinene_b ', 66 /\n DATA MECH_NAM_CB6( 58) , MECH_MAP_CB6( 58)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6( 58)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 59) , SPMH_MAP_CB6( 59)\n & / 'calarene ', 50 /\n DATA MECH_NAM_CB6( 59) , MECH_MAP_CB6( 59)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6( 59)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 60) , SPMH_MAP_CB6( 60)\n & / 'farnescene_b ', 55 /\n DATA MECH_NAM_CB6( 60) , MECH_MAP_CB6( 60)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6( 60)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 61) , SPMH_MAP_CB6( 61)\n & / 'acoradiene ', 43 /\n DATA MECH_NAM_CB6( 61) , MECH_MAP_CB6( 61)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6( 61)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 62) , SPMH_MAP_CB6( 62)\n & / 'humulene_g ', 60 /\n DATA MECH_NAM_CB6( 62) , MECH_MAP_CB6( 62)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6( 62)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 63) , SPMH_MAP_CB6( 63)\n & / 'muurolene_g ', 62 /\n DATA MECH_NAM_CB6( 63) , MECH_MAP_CB6( 63)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6( 63)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 64) , SPMH_MAP_CB6( 64)\n & / 'germacrene_D ', 58 /\n DATA MECH_NAM_CB6( 64) , MECH_MAP_CB6( 64)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6( 64)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 65) , SPMH_MAP_CB6( 65)\n & / 'cadinene_g ', 49 /\n DATA MECH_NAM_CB6( 65) , MECH_MAP_CB6( 65)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6( 65)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 66) , SPMH_MAP_CB6( 66)\n & / 'nerolidol_t ', 64 /\n DATA MECH_NAM_CB6( 66) , MECH_MAP_CB6( 66)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6( 66)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 67) , SPMH_MAP_CB6( 67)\n & / 'bergamotene_b ', 45 /\n DATA MECH_NAM_CB6( 67) , MECH_MAP_CB6( 67)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6( 67)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 68) , SPMH_MAP_CB6( 68)\n & / 'bisabolene_a ', 46 /\n DATA MECH_NAM_CB6( 68) , MECH_MAP_CB6( 68)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6( 68)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 69) , SPMH_MAP_CB6( 69)\n & / 'cedrol ', 73 /\n DATA MECH_NAM_CB6( 69) , MECH_MAP_CB6( 69)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6( 69)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 70) , SPMH_MAP_CB6( 70)\n & / 'homosalate ', 78 /\n DATA MECH_NAM_CB6( 70) , MECH_MAP_CB6( 70)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6( 70)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 71) , SPMH_MAP_CB6( 71)\n & / '2ethyl_hexyl_salate ', 68 /\n DATA MECH_NAM_CB6( 71) , MECH_MAP_CB6( 71)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6( 71)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 72) , SPMH_MAP_CB6( 72)\n & / 'cedrene_a ', 72 /\n DATA MECH_NAM_CB6( 72) , MECH_MAP_CB6( 72)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6( 72)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 73) , SPMH_MAP_CB6( 73)\n & / 'thujopsene ', 83 /\n DATA MECH_NAM_CB6( 73) , MECH_MAP_CB6( 73)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6( 73)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 74) , SPMH_MAP_CB6( 74)\n & / 'longifolene ', 81 /\n DATA MECH_NAM_CB6( 74) , MECH_MAP_CB6( 74)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6( 74)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 75) , SPMH_MAP_CB6( 75)\n & / 'cadinol_a ', 71 /\n DATA MECH_NAM_CB6( 75) , MECH_MAP_CB6( 75)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6( 75)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 76) , SPMH_MAP_CB6( 76)\n & / 'zingiberene_a ', 85 /\n DATA MECH_NAM_CB6( 76) , MECH_MAP_CB6( 76)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6( 76)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 77) , SPMH_MAP_CB6( 77)\n & / 'isolongifolene ', 79 /\n DATA MECH_NAM_CB6( 77) , MECH_MAP_CB6( 77)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6( 77)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 78) , SPMH_MAP_CB6( 78)\n & / 'longicyclene ', 87 /\n DATA MECH_NAM_CB6( 78) , MECH_MAP_CB6( 78)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6( 78)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 79) , SPMH_MAP_CB6( 79)\n & / 'copaene_a ', 74 /\n DATA MECH_NAM_CB6( 79) , MECH_MAP_CB6( 79)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6( 79)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 80) , SPMH_MAP_CB6( 80)\n & / 'bourbonene_b ', 70 /\n DATA MECH_NAM_CB6( 80) , MECH_MAP_CB6( 80)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6( 80)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 81) , SPMH_MAP_CB6( 81)\n & / 'longipinene ', 82 /\n DATA MECH_NAM_CB6( 81) , MECH_MAP_CB6( 81)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6( 81)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 82) , SPMH_MAP_CB6( 82)\n & / 'cubebene_b ', 76 /\n DATA MECH_NAM_CB6( 82) , MECH_MAP_CB6( 82)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6( 82)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 83) , SPMH_MAP_CB6( 83)\n & / 'ylangene_a ', 84 /\n DATA MECH_NAM_CB6( 83) , MECH_MAP_CB6( 83)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6( 83)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 84) , SPMH_MAP_CB6( 84)\n & / 'cubebene_a ', 75 /\n DATA MECH_NAM_CB6( 84) , MECH_MAP_CB6( 84)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6( 84)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 85) , SPMH_MAP_CB6( 85)\n & / 'copaene_b ', 86 /\n DATA MECH_NAM_CB6( 85) , MECH_MAP_CB6( 85)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6( 85)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 86) , SPMH_MAP_CB6( 86)\n & / 'kaur_16_ene ', 80 /\n DATA MECH_NAM_CB6( 86) , MECH_MAP_CB6( 86)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6( 86)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 87) , SPMH_MAP_CB6( 87)\n & / 'gurjunene_b ', 77 /\n DATA MECH_NAM_CB6( 87) , MECH_MAP_CB6( 87)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6( 87)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 88) , SPMH_MAP_CB6( 88)\n & / 'aromadendrene ', 69 /\n DATA MECH_NAM_CB6( 88) , MECH_MAP_CB6( 88)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6( 88)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 89) , SPMH_MAP_CB6( 89)\n & / 'methanol ', 88 /\n DATA MECH_NAM_CB6( 89) , MECH_MAP_CB6( 89)\n & / 'MEOH ', 7 /\n DATA CONV_FAC_CB6( 89)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 90) , SPMH_MAP_CB6( 90)\n & / 'acetone ', 89 /\n DATA MECH_NAM_CB6( 90) , MECH_MAP_CB6( 90)\n & / 'ACET ', 23 /\n DATA CONV_FAC_CB6( 90)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 91) , SPMH_MAP_CB6( 91)\n & / 'ethanol ', 91 /\n DATA MECH_NAM_CB6( 91) , MECH_MAP_CB6( 91)\n & / 'ETOH ', 12 /\n DATA CONV_FAC_CB6( 91)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 92) , SPMH_MAP_CB6( 92)\n & / 'acetaldehyde ', 90 /\n DATA MECH_NAM_CB6( 92) , MECH_MAP_CB6( 92)\n & / 'ALD2 ', 11 /\n DATA CONV_FAC_CB6( 92)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 93) , SPMH_MAP_CB6( 93)\n & / 'formic_acid ', 93 /\n DATA MECH_NAM_CB6( 93) , MECH_MAP_CB6( 93)\n & / 'FACD ', 26 /\n DATA CONV_FAC_CB6( 93)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 94) , SPMH_MAP_CB6( 94)\n & / 'acetic_acid ', 92 /\n DATA MECH_NAM_CB6( 94) , MECH_MAP_CB6( 94)\n & / 'AACD ', 25 /\n DATA CONV_FAC_CB6( 94)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 95) , SPMH_MAP_CB6( 95)\n & / 'ethane ', 100 /\n DATA MECH_NAM_CB6( 95) , MECH_MAP_CB6( 95)\n & / 'ETHA ', 18 /\n DATA CONV_FAC_CB6( 95)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 96) , SPMH_MAP_CB6( 96)\n & / 'ethene ', 101 /\n DATA MECH_NAM_CB6( 96) , MECH_MAP_CB6( 96)\n & / 'ETH ', 19 /\n DATA CONV_FAC_CB6( 96)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 97) , SPMH_MAP_CB6( 97)\n & / 'propane ', 102 /\n DATA MECH_NAM_CB6( 97) , MECH_MAP_CB6( 97)\n & / 'PRPA ', 21 /\n DATA CONV_FAC_CB6( 97)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 98) , SPMH_MAP_CB6( 98)\n & / 'butene ', 97 /\n DATA MECH_NAM_CB6( 98) , MECH_MAP_CB6( 98)\n & / 'OLE ', 5 /\n DATA CONV_FAC_CB6( 98)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 99) , SPMH_MAP_CB6( 99)\n & / 'butene ', 97 /\n DATA MECH_NAM_CB6( 99) , MECH_MAP_CB6( 99)\n & / 'PAR ', 3 /\n DATA CONV_FAC_CB6( 99)\n & / 2 /\n \n DATA SPMH_NAM_CB6( 100) , SPMH_MAP_CB6( 100)\n & / 'propene ', 103 /\n DATA MECH_NAM_CB6( 100) , MECH_MAP_CB6( 100)\n & / 'OLE ', 5 /\n DATA CONV_FAC_CB6( 100)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 101) , SPMH_MAP_CB6( 101)\n & / 'propene ', 103 /\n DATA MECH_NAM_CB6( 101) , MECH_MAP_CB6( 101)\n & / 'PAR ', 3 /\n DATA CONV_FAC_CB6( 101)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 102) , SPMH_MAP_CB6( 102)\n & / '2_methylprop_1_ene ', 95 /\n DATA MECH_NAM_CB6( 102) , MECH_MAP_CB6( 102)\n & / 'OLE ', 5 /\n DATA CONV_FAC_CB6( 102)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 103) , SPMH_MAP_CB6( 103)\n & / '2_methylprop_1_ene ', 95 /\n DATA MECH_NAM_CB6( 103) , MECH_MAP_CB6( 103)\n & / 'PAR ', 3 /\n DATA CONV_FAC_CB6( 103)\n & / 2 /\n \n DATA SPMH_NAM_CB6( 104) , SPMH_MAP_CB6( 104)\n & / 'butene_c2 ', 98 /\n DATA MECH_NAM_CB6( 104) , MECH_MAP_CB6( 104)\n & / 'IOLE ', 16 /\n DATA CONV_FAC_CB6( 104)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 105) , SPMH_MAP_CB6( 105)\n & / 'butene_t2 ', 99 /\n DATA MECH_NAM_CB6( 105) , MECH_MAP_CB6( 105)\n & / 'IOLE ', 16 /\n DATA CONV_FAC_CB6( 105)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 106) , SPMH_MAP_CB6( 106)\n & / 'formaldehyde ', 113 /\n DATA MECH_NAM_CB6( 106) , MECH_MAP_CB6( 106)\n & / 'FORM ', 13 /\n DATA CONV_FAC_CB6( 106)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 107) , SPMH_MAP_CB6( 107)\n & / 'met_heptenone ', 106 /\n DATA MECH_NAM_CB6( 107) , MECH_MAP_CB6( 107)\n & / 'ISPD ', 28 /\n DATA CONV_FAC_CB6( 107)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 108) , SPMH_MAP_CB6( 108)\n & / 'oxopentanal ', 114 /\n DATA MECH_NAM_CB6( 108) , MECH_MAP_CB6( 108)\n & / 'ISPD ', 28 /\n DATA CONV_FAC_CB6( 108)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 109) , SPMH_MAP_CB6( 109)\n & / 'geranyl_acetone ', 105 /\n DATA MECH_NAM_CB6( 109) , MECH_MAP_CB6( 109)\n & / 'ISPD ', 28 /\n DATA CONV_FAC_CB6( 109)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 110) , SPMH_MAP_CB6( 110)\n & / 'hexanal ', 141 /\n DATA MECH_NAM_CB6( 110) , MECH_MAP_CB6( 110)\n & / 'ISPD ', 28 /\n DATA CONV_FAC_CB6( 110)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 111) , SPMH_MAP_CB6( 111)\n & / 'hydrogen_cyanide ', 147 /\n DATA MECH_NAM_CB6( 111) , MECH_MAP_CB6( 111)\n & / 'HCN ', 27 /\n DATA CONV_FAC_CB6( 111)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 112) , SPMH_MAP_CB6( 112)\n & / 'linalool ', 150 /\n DATA MECH_NAM_CB6( 112) , MECH_MAP_CB6( 112)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6( 112)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 113) , SPMH_MAP_CB6( 113)\n & / 'methacrolein ', 153 /\n DATA MECH_NAM_CB6( 113) , MECH_MAP_CB6( 113)\n & / 'ISPD ', 28 /\n DATA CONV_FAC_CB6( 113)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 114) , SPMH_MAP_CB6( 114)\n & / 'met_vinylketone ', 158 /\n DATA MECH_NAM_CB6( 114) , MECH_MAP_CB6( 114)\n & / 'ISPD ', 28 /\n DATA CONV_FAC_CB6( 114)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 115) , SPMH_MAP_CB6( 115)\n & / 'hexanol_1 ', 142 /\n DATA MECH_NAM_CB6( 115) , MECH_MAP_CB6( 115)\n & / 'ISPD ', 28 /\n DATA CONV_FAC_CB6( 115)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 116) , SPMH_MAP_CB6( 116)\n & / 'met_salicylate ', 156 /\n DATA MECH_NAM_CB6( 116) , MECH_MAP_CB6( 116)\n & / 'ISPD ', 28 /\n DATA CONV_FAC_CB6( 116)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 117) , SPMH_MAP_CB6( 117)\n & / 'cineole_1_8 ', 133 /\n DATA MECH_NAM_CB6( 117) , MECH_MAP_CB6( 117)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6( 117)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 118) , SPMH_MAP_CB6( 118)\n & / 'hexenal_t2 ', 144 /\n DATA MECH_NAM_CB6( 118) , MECH_MAP_CB6( 118)\n & / 'ISPD ', 28 /\n DATA CONV_FAC_CB6( 118)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 119) , SPMH_MAP_CB6( 119)\n & / 'hexenol_c3 ', 145 /\n DATA MECH_NAM_CB6( 119) , MECH_MAP_CB6( 119)\n & / 'ISPD ', 28 /\n DATA CONV_FAC_CB6( 119)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 120) , SPMH_MAP_CB6( 120)\n & / 'hexenyl_ACT_c3 ', 146 /\n DATA MECH_NAM_CB6( 120) , MECH_MAP_CB6( 120)\n & / 'ISPD ', 28 /\n DATA CONV_FAC_CB6( 120)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 121) , SPMH_MAP_CB6( 121)\n & / 'hexenal_c3 ', 143 /\n DATA MECH_NAM_CB6( 121) , MECH_MAP_CB6( 121)\n & / 'ISPD ', 28 /\n DATA CONV_FAC_CB6( 121)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 122) , SPMH_MAP_CB6( 122)\n & / '2met_nonatriene ', 137 /\n DATA MECH_NAM_CB6( 122) , MECH_MAP_CB6( 122)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6( 122)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 123) , SPMH_MAP_CB6( 123)\n & / 'methane ', 184 /\n DATA MECH_NAM_CB6( 123) , MECH_MAP_CB6( 123)\n & / 'CH4 ', 8 /\n DATA CONV_FAC_CB6( 123)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 124) , SPMH_MAP_CB6( 124)\n & / 'met_bromide ', 185 /\n DATA MECH_NAM_CB6( 124) , MECH_MAP_CB6( 124)\n & / 'CH3BR ', 32 /\n DATA CONV_FAC_CB6( 124)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 125) , SPMH_MAP_CB6( 125)\n & / 'met_chloride ', 186 /\n DATA MECH_NAM_CB6( 125) , MECH_MAP_CB6( 125)\n & / 'CH3CL ', 33 /\n DATA CONV_FAC_CB6( 125)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 126) , SPMH_MAP_CB6( 126)\n & / 'met_iodide ', 187 /\n DATA MECH_NAM_CB6( 126) , MECH_MAP_CB6( 126)\n & / 'CH3I ', 34 /\n DATA CONV_FAC_CB6( 126)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 127) , SPMH_MAP_CB6( 127)\n & / 'met_mercaptan ', 188 /\n DATA MECH_NAM_CB6( 127) , MECH_MAP_CB6( 127)\n & / 'TRS ', 31 /\n DATA CONV_FAC_CB6( 127)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 128) , SPMH_MAP_CB6( 128)\n & / 'carbon_2s ', 171 /\n DATA MECH_NAM_CB6( 128) , MECH_MAP_CB6( 128)\n & / 'TRS ', 31 /\n DATA CONV_FAC_CB6( 128)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 129) , SPMH_MAP_CB6( 129)\n & / '2met_s ', 176 /\n DATA MECH_NAM_CB6( 129) , MECH_MAP_CB6( 129)\n & / 'TRS ', 31 /\n DATA CONV_FAC_CB6( 129)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 130) , SPMH_MAP_CB6( 130)\n & / 'butanone_2 ', 170 /\n DATA MECH_NAM_CB6( 130) , MECH_MAP_CB6( 130)\n & / 'ISPD ', 28 /\n DATA CONV_FAC_CB6( 130)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 131) , SPMH_MAP_CB6( 131)\n & / 'terpinyl_ACT_a ', 197 /\n DATA MECH_NAM_CB6( 131) , MECH_MAP_CB6( 131)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6( 131)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 132) , SPMH_MAP_CB6( 132)\n & / 'pentane ', 193 /\n DATA MECH_NAM_CB6( 132) , MECH_MAP_CB6( 132)\n & / 'PAR ', 3 /\n DATA CONV_FAC_CB6( 132)\n & / 5 /\n \n DATA SPMH_NAM_CB6( 133) , SPMH_MAP_CB6( 133)\n & / 'hexane ', 181 /\n DATA MECH_NAM_CB6( 133) , MECH_MAP_CB6( 133)\n & / 'PAR ', 3 /\n DATA CONV_FAC_CB6( 133)\n & / 6 /\n \n DATA SPMH_NAM_CB6( 134) , SPMH_MAP_CB6( 134)\n & / 'decane ', 173 /\n DATA MECH_NAM_CB6( 134) , MECH_MAP_CB6( 134)\n & / 'PAR ', 3 /\n DATA CONV_FAC_CB6( 134)\n & / 10 /\n \n DATA SPMH_NAM_CB6( 135) , SPMH_MAP_CB6( 135)\n & / 'heptane ', 179 /\n DATA MECH_NAM_CB6( 135) , MECH_MAP_CB6( 135)\n & / 'PAR ', 3 /\n DATA CONV_FAC_CB6( 135)\n & / 7 /\n \n DATA SPMH_NAM_CB6( 136) , SPMH_MAP_CB6( 136)\n & / 'carbonyl_s ', 172 /\n DATA MECH_NAM_CB6( 136) , MECH_MAP_CB6( 136)\n & / 'TRS ', 31 /\n DATA CONV_FAC_CB6( 136)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 137) , SPMH_MAP_CB6( 137)\n & / '2met_2s ', 175 /\n DATA MECH_NAM_CB6( 137) , MECH_MAP_CB6( 137)\n & / 'TRS ', 31 /\n DATA CONV_FAC_CB6( 137)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 138) , SPMH_MAP_CB6( 138)\n & / 'undecane ', 199 /\n DATA MECH_NAM_CB6( 138) , MECH_MAP_CB6( 138)\n & / 'PAR ', 3 /\n DATA CONV_FAC_CB6( 138)\n & / 11 /\n \n DATA SPMH_NAM_CB6( 139) , SPMH_MAP_CB6( 139)\n & / 'tetradecene_1 ', 198 /\n DATA MECH_NAM_CB6( 139) , MECH_MAP_CB6( 139)\n & / 'PAR ', 3 /\n DATA CONV_FAC_CB6( 139)\n & / 14 /\n \n DATA SPMH_NAM_CB6( 140) , SPMH_MAP_CB6( 140)\n & / 'diallyl_2s ', 174 /\n DATA MECH_NAM_CB6( 140) , MECH_MAP_CB6( 140)\n & / 'TRS ', 31 /\n DATA CONV_FAC_CB6( 140)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 141) , SPMH_MAP_CB6( 141)\n & / 'PPPP_2s ', 194 /\n DATA MECH_NAM_CB6( 141) , MECH_MAP_CB6( 141)\n & / 'TRS ', 31 /\n DATA CONV_FAC_CB6( 141)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 142) , SPMH_MAP_CB6( 142)\n & / 'met_propenyl_2s ', 189 /\n DATA MECH_NAM_CB6( 142) , MECH_MAP_CB6( 142)\n & / 'TRS ', 31 /\n DATA CONV_FAC_CB6( 142)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 143) , SPMH_MAP_CB6( 143)\n & / 'hydrogen_s ', 182 /\n DATA MECH_NAM_CB6( 143) , MECH_MAP_CB6( 143)\n & / 'TRS ', 31 /\n DATA CONV_FAC_CB6( 143)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 144) , SPMH_MAP_CB6( 144)\n & / 'carbon_monoxide ', 200 /\n DATA MECH_NAM_CB6( 144) , MECH_MAP_CB6( 144)\n & / 'CO ', 17 /\n DATA CONV_FAC_CB6( 144)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 145) , SPMH_MAP_CB6( 145)\n & / 'nitric_OXD ', 201 /\n DATA MECH_NAM_CB6( 145) , MECH_MAP_CB6( 145)\n & / 'NO ', 10 /\n DATA CONV_FAC_CB6( 145)\n & / 1 /\n \n DATA SPMH_NAM_CB6( 146) , SPMH_MAP_CB6( 146)\n & / 'formaldehyde ', 113 /\n DATA MECH_NAM_CB6( 146) , MECH_MAP_CB6( 146)\n & / 'FORM_PRIMARY', 36 /\n DATA CONV_FAC_CB6( 146)\n & / 1 /\n\n DATA SPMH_NAM_CB6( 147) , SPMH_MAP_CB6( 147)\n & / 'acetaldehyde ', 90 /\n DATA MECH_NAM_CB6( 147) , MECH_MAP_CB6( 147)\n & / 'ALD2_PRIMARY', 35 /\n DATA CONV_FAC_CB6( 147)\n & / 1 /\n" }, { "path": "CCTM/src/biog/megan3/MAP_CV2CB6_AE7.EXT", "content": "C=======================================================================\nC MAP_CV2CB6.EXT\nC This include file contains conversion table for 201 speciated species\nC to CB6 (CMAQ/CAMx) species\nC\nC\nC MEGAN v3\nC\nC History:\nC Who When What\nC ---------------------------------------------------------------------\nC Tan 07/18/11 - Created for MEGANv2.10\nC Ling Huang 06/13/17 - Updated for MEGANv3\nC=======================================================================\n\n CHARACTER*16 MAP_CB6AE7MECH\n PARAMETER (MAP_CB6AE7MECH = 'CB6_ae7 ')\n\n INTEGER N_CB6_AE7\n PARAMETER (N_CB6_AE7 = (147)) ! Number of map species\n\n CHARACTER*16 SPMH_NAM_CB6_AE7( N_CB6_AE7 ) ! speciated species name\n INTEGER SPMH_MAP_CB6_AE7( N_CB6_AE7 ) ! speciated species name\n ! mapped to SPC_SPCAT.EXT\n CHARACTER*16 MECH_NAM_CB6_AE7( N_CB6_AE7 ) ! mechanism species\n INTEGER MECH_MAP_CB6_AE7( N_CB6_AE7 ) ! mechanism species mapped\n\n REAL CONV_FAC_CB6_AE7( N_CB6_AE7 ) ! conversion factor\n\n \n DATA SPMH_NAM_CB6_AE7( 1) , SPMH_MAP_CB6_AE7( 1)\n & / 'isoprene ', 1 /\n DATA MECH_NAM_CB6_AE7( 1) , MECH_MAP_CB6_AE7( 1)\n & / 'ISOP ', 1 /\n DATA CONV_FAC_CB6_AE7( 1)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 2) , SPMH_MAP_CB6_AE7( 2)\n & / 'MBO_2m3e2ol ', 2 /\n DATA MECH_NAM_CB6_AE7( 2) , MECH_MAP_CB6_AE7( 2)\n & / 'OLE ', 5 /\n DATA CONV_FAC_CB6_AE7( 2)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 3) , SPMH_MAP_CB6_AE7( 3)\n & / 'MBO_2m3e2ol ', 2 /\n DATA MECH_NAM_CB6_AE7( 3) , MECH_MAP_CB6_AE7( 3)\n & / 'PAR ', 3 /\n DATA CONV_FAC_CB6_AE7( 3)\n & / 3 /\n \n DATA SPMH_NAM_CB6_AE7( 4) , SPMH_MAP_CB6_AE7( 4)\n & / 'pinene_a ', 3 /\n DATA MECH_NAM_CB6_AE7( 4) , MECH_MAP_CB6_AE7( 4)\n & / 'APIN ', 35 /\n DATA CONV_FAC_CB6_AE7( 4)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 5) , SPMH_MAP_CB6_AE7( 5)\n & / 'pinene_b ', 4 /\n DATA MECH_NAM_CB6_AE7( 5) , MECH_MAP_CB6_AE7( 5)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6_AE7( 5)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 6) , SPMH_MAP_CB6_AE7( 6)\n & / 'myrcene ', 5 /\n DATA MECH_NAM_CB6_AE7( 6) , MECH_MAP_CB6_AE7( 6)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6_AE7( 6)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 7) , SPMH_MAP_CB6_AE7( 7)\n & / 'ocimene_al ', 6 /\n DATA MECH_NAM_CB6_AE7( 7) , MECH_MAP_CB6_AE7( 7)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6_AE7( 7)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 8) , SPMH_MAP_CB6_AE7( 8)\n & / 'ocimene_c_b ', 7 /\n DATA MECH_NAM_CB6_AE7( 8) , MECH_MAP_CB6_AE7( 8)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6_AE7( 8)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 9) , SPMH_MAP_CB6_AE7( 9)\n & / 'ocimene_t_b ', 8 /\n DATA MECH_NAM_CB6_AE7( 9) , MECH_MAP_CB6_AE7( 9)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6_AE7( 9)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 10) , SPMH_MAP_CB6_AE7( 10)\n & / 'camphene ', 10 /\n DATA MECH_NAM_CB6_AE7( 10) , MECH_MAP_CB6_AE7( 10)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6_AE7( 10)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 11) , SPMH_MAP_CB6_AE7( 11)\n & / 'bornene ', 9 /\n DATA MECH_NAM_CB6_AE7( 11) , MECH_MAP_CB6_AE7( 11)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6_AE7( 11)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 12) , SPMH_MAP_CB6_AE7( 12)\n & / 'fenchene_a ', 12 /\n DATA MECH_NAM_CB6_AE7( 12) , MECH_MAP_CB6_AE7( 12)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6_AE7( 12)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 13) , SPMH_MAP_CB6_AE7( 13)\n & / 'tricyclene ', 14 /\n DATA MECH_NAM_CB6_AE7( 13) , MECH_MAP_CB6_AE7( 13)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6_AE7( 13)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 14) , SPMH_MAP_CB6_AE7( 14)\n & / 'carene_3 ', 11 /\n DATA MECH_NAM_CB6_AE7( 14) , MECH_MAP_CB6_AE7( 14)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6_AE7( 14)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 15) , SPMH_MAP_CB6_AE7( 15)\n & / 'fenchene_b ', 13 /\n DATA MECH_NAM_CB6_AE7( 15) , MECH_MAP_CB6_AE7( 15)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6_AE7( 15)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 16) , SPMH_MAP_CB6_AE7( 16)\n & / 'phellandrene_a ', 17 /\n DATA MECH_NAM_CB6_AE7( 16) , MECH_MAP_CB6_AE7( 16)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6_AE7( 16)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 17) , SPMH_MAP_CB6_AE7( 17)\n & / 'terpinene_g ', 20 /\n DATA MECH_NAM_CB6_AE7( 17) , MECH_MAP_CB6_AE7( 17)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6_AE7( 17)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 18) , SPMH_MAP_CB6_AE7( 18)\n & / 'terpinene_a ', 19 /\n DATA MECH_NAM_CB6_AE7( 18) , MECH_MAP_CB6_AE7( 18)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6_AE7( 18)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 19) , SPMH_MAP_CB6_AE7( 19)\n & / 'limonene ', 15 /\n DATA MECH_NAM_CB6_AE7( 19) , MECH_MAP_CB6_AE7( 19)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6_AE7( 19)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 20) , SPMH_MAP_CB6_AE7( 20)\n & / 'phellandrene_b ', 16 /\n DATA MECH_NAM_CB6_AE7( 20) , MECH_MAP_CB6_AE7( 20)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6_AE7( 20)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 21) , SPMH_MAP_CB6_AE7( 21)\n & / 'terpinolene ', 21 /\n DATA MECH_NAM_CB6_AE7( 21) , MECH_MAP_CB6_AE7( 21)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6_AE7( 21)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 22) , SPMH_MAP_CB6_AE7( 22)\n & / 'thujene_a ', 22 /\n DATA MECH_NAM_CB6_AE7( 22) , MECH_MAP_CB6_AE7( 22)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6_AE7( 22)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 23) , SPMH_MAP_CB6_AE7( 23)\n & / 'sabinene ', 18 /\n DATA MECH_NAM_CB6_AE7( 23) , MECH_MAP_CB6_AE7( 23)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6_AE7( 23)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 24) , SPMH_MAP_CB6_AE7( 24)\n & / 'verbenene ', 23 /\n DATA MECH_NAM_CB6_AE7( 24) , MECH_MAP_CB6_AE7( 24)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6_AE7( 24)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 25) , SPMH_MAP_CB6_AE7( 25)\n & / 'cymene_p ', 25 /\n DATA MECH_NAM_CB6_AE7( 25) , MECH_MAP_CB6_AE7( 25)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6_AE7( 25)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 26) , SPMH_MAP_CB6_AE7( 26)\n & / 'cymene_o ', 24 /\n DATA MECH_NAM_CB6_AE7( 26) , MECH_MAP_CB6_AE7( 26)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6_AE7( 26)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 27) , SPMH_MAP_CB6_AE7( 27)\n & / 'meta-cymenene ', 26 /\n DATA MECH_NAM_CB6_AE7( 27) , MECH_MAP_CB6_AE7( 27)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6_AE7( 27)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 28) , SPMH_MAP_CB6_AE7( 28)\n & / 'p-cymenene ', 27 /\n DATA MECH_NAM_CB6_AE7( 28) , MECH_MAP_CB6_AE7( 28)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6_AE7( 28)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 29) , SPMH_MAP_CB6_AE7( 29)\n & / 'camphor ', 30 /\n DATA MECH_NAM_CB6_AE7( 29) , MECH_MAP_CB6_AE7( 29)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6_AE7( 29)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 30) , SPMH_MAP_CB6_AE7( 30)\n & / 'bornyl_ACT ', 29 /\n DATA MECH_NAM_CB6_AE7( 30) , MECH_MAP_CB6_AE7( 30)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6_AE7( 30)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 31) , SPMH_MAP_CB6_AE7( 31)\n & / 'piperitone ', 38 /\n DATA MECH_NAM_CB6_AE7( 31) , MECH_MAP_CB6_AE7( 31)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6_AE7( 31)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 32) , SPMH_MAP_CB6_AE7( 32)\n & / 'terpineol_a ', 40 /\n DATA MECH_NAM_CB6_AE7( 32) , MECH_MAP_CB6_AE7( 32)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6_AE7( 32)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 33) , SPMH_MAP_CB6_AE7( 33)\n & / 'octanol ', 36 /\n DATA MECH_NAM_CB6_AE7( 33) , MECH_MAP_CB6_AE7( 33)\n & / 'PAR ', 3 /\n DATA CONV_FAC_CB6_AE7( 33)\n & / 8 /\n \n DATA SPMH_NAM_CB6_AE7( 34) , SPMH_MAP_CB6_AE7( 34)\n & / 'estragole ', 31 /\n DATA MECH_NAM_CB6_AE7( 34) , MECH_MAP_CB6_AE7( 34)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6_AE7( 34)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 35) , SPMH_MAP_CB6_AE7( 35)\n & / 'borneol ', 28 /\n DATA MECH_NAM_CB6_AE7( 35) , MECH_MAP_CB6_AE7( 35)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6_AE7( 35)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 36) , SPMH_MAP_CB6_AE7( 36)\n & / 'thujone_b ', 42 /\n DATA MECH_NAM_CB6_AE7( 36) , MECH_MAP_CB6_AE7( 36)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6_AE7( 36)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 37) , SPMH_MAP_CB6_AE7( 37)\n & / 'thujone_a ', 41 /\n DATA MECH_NAM_CB6_AE7( 37) , MECH_MAP_CB6_AE7( 37)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6_AE7( 37)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 38) , SPMH_MAP_CB6_AE7( 38)\n & / 'terpineol_4 ', 39 /\n DATA MECH_NAM_CB6_AE7( 38) , MECH_MAP_CB6_AE7( 38)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6_AE7( 38)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 39) , SPMH_MAP_CB6_AE7( 39)\n & / 'myrtenal ', 35 /\n DATA MECH_NAM_CB6_AE7( 39) , MECH_MAP_CB6_AE7( 39)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6_AE7( 39)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 40) , SPMH_MAP_CB6_AE7( 40)\n & / 'fenchone ', 32 /\n DATA MECH_NAM_CB6_AE7( 40) , MECH_MAP_CB6_AE7( 40)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6_AE7( 40)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 41) , SPMH_MAP_CB6_AE7( 41)\n & / 'octenol_1e3ol ', 37 /\n DATA MECH_NAM_CB6_AE7( 41) , MECH_MAP_CB6_AE7( 41)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6_AE7( 41)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 42) , SPMH_MAP_CB6_AE7( 42)\n & / 'ionone_b ', 33 /\n DATA MECH_NAM_CB6_AE7( 42) , MECH_MAP_CB6_AE7( 42)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6_AE7( 42)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 43) , SPMH_MAP_CB6_AE7( 43)\n & / 'ipsenol ', 34 /\n DATA MECH_NAM_CB6_AE7( 43) , MECH_MAP_CB6_AE7( 43)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6_AE7( 43)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 44) , SPMH_MAP_CB6_AE7( 44)\n & / 'caryophyllene_b ', 51 /\n DATA MECH_NAM_CB6_AE7( 44) , MECH_MAP_CB6_AE7( 44)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6_AE7( 44)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 45) , SPMH_MAP_CB6_AE7( 45)\n & / 'caryophyllene_c_i ', 52 /\n DATA MECH_NAM_CB6_AE7( 45) , MECH_MAP_CB6_AE7( 45)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6_AE7( 45)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 46) , SPMH_MAP_CB6_AE7( 46)\n & / 'cadinene_d ', 48 /\n DATA MECH_NAM_CB6_AE7( 46) , MECH_MAP_CB6_AE7( 46)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6_AE7( 46)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 47) , SPMH_MAP_CB6_AE7( 47)\n & / 'cadinene_d ', 48 /\n DATA MECH_NAM_CB6_AE7( 47) , MECH_MAP_CB6_AE7( 47)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6_AE7( 47)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 48) , SPMH_MAP_CB6_AE7( 48)\n & / 'bisabolene_b ', 47 /\n DATA MECH_NAM_CB6_AE7( 48) , MECH_MAP_CB6_AE7( 48)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6_AE7( 48)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 49) , SPMH_MAP_CB6_AE7( 49)\n & / 'farnescene_a ', 54 /\n DATA MECH_NAM_CB6_AE7( 49) , MECH_MAP_CB6_AE7( 49)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6_AE7( 49)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 50) , SPMH_MAP_CB6_AE7( 50)\n & / 'patchoulene_b ', 65 /\n DATA MECH_NAM_CB6_AE7( 50) , MECH_MAP_CB6_AE7( 50)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6_AE7( 50)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 51) , SPMH_MAP_CB6_AE7( 51)\n & / 'elemene_b ', 53 /\n DATA MECH_NAM_CB6_AE7( 51) , MECH_MAP_CB6_AE7( 51)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6_AE7( 51)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 52) , SPMH_MAP_CB6_AE7( 52)\n & / 'nerolidol_c ', 63 /\n DATA MECH_NAM_CB6_AE7( 52) , MECH_MAP_CB6_AE7( 52)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6_AE7( 52)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 53) , SPMH_MAP_CB6_AE7( 53)\n & / 'farnesol ', 56 /\n DATA MECH_NAM_CB6_AE7( 53) , MECH_MAP_CB6_AE7( 53)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6_AE7( 53)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 54) , SPMH_MAP_CB6_AE7( 54)\n & / 'humulene_a ', 59 /\n DATA MECH_NAM_CB6_AE7( 54) , MECH_MAP_CB6_AE7( 54)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6_AE7( 54)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 55) , SPMH_MAP_CB6_AE7( 55)\n & / 'muurolene_a ', 61 /\n DATA MECH_NAM_CB6_AE7( 55) , MECH_MAP_CB6_AE7( 55)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6_AE7( 55)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 56) , SPMH_MAP_CB6_AE7( 56)\n & / 'bergamotene_a ', 44 /\n DATA MECH_NAM_CB6_AE7( 56) , MECH_MAP_CB6_AE7( 56)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6_AE7( 56)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 57) , SPMH_MAP_CB6_AE7( 57)\n & / 'germacrene_B ', 57 /\n DATA MECH_NAM_CB6_AE7( 57) , MECH_MAP_CB6_AE7( 57)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6_AE7( 57)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 58) , SPMH_MAP_CB6_AE7( 58)\n & / 'selinene_b ', 66 /\n DATA MECH_NAM_CB6_AE7( 58) , MECH_MAP_CB6_AE7( 58)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6_AE7( 58)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 59) , SPMH_MAP_CB6_AE7( 59)\n & / 'calarene ', 50 /\n DATA MECH_NAM_CB6_AE7( 59) , MECH_MAP_CB6_AE7( 59)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6_AE7( 59)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 60) , SPMH_MAP_CB6_AE7( 60)\n & / 'farnescene_b ', 55 /\n DATA MECH_NAM_CB6_AE7( 60) , MECH_MAP_CB6_AE7( 60)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6_AE7( 60)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 61) , SPMH_MAP_CB6_AE7( 61)\n & / 'acoradiene ', 43 /\n DATA MECH_NAM_CB6_AE7( 61) , MECH_MAP_CB6_AE7( 61)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6_AE7( 61)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 62) , SPMH_MAP_CB6_AE7( 62)\n & / 'humulene_g ', 60 /\n DATA MECH_NAM_CB6_AE7( 62) , MECH_MAP_CB6_AE7( 62)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6_AE7( 62)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 63) , SPMH_MAP_CB6_AE7( 63)\n & / 'muurolene_g ', 62 /\n DATA MECH_NAM_CB6_AE7( 63) , MECH_MAP_CB6_AE7( 63)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6_AE7( 63)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 64) , SPMH_MAP_CB6_AE7( 64)\n & / 'germacrene_D ', 58 /\n DATA MECH_NAM_CB6_AE7( 64) , MECH_MAP_CB6_AE7( 64)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6_AE7( 64)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 65) , SPMH_MAP_CB6_AE7( 65)\n & / 'cadinene_g ', 49 /\n DATA MECH_NAM_CB6_AE7( 65) , MECH_MAP_CB6_AE7( 65)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6_AE7( 65)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 66) , SPMH_MAP_CB6_AE7( 66)\n & / 'nerolidol_t ', 64 /\n DATA MECH_NAM_CB6_AE7( 66) , MECH_MAP_CB6_AE7( 66)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6_AE7( 66)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 67) , SPMH_MAP_CB6_AE7( 67)\n & / 'bergamotene_b ', 45 /\n DATA MECH_NAM_CB6_AE7( 67) , MECH_MAP_CB6_AE7( 67)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6_AE7( 67)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 68) , SPMH_MAP_CB6_AE7( 68)\n & / 'bisabolene_a ', 46 /\n DATA MECH_NAM_CB6_AE7( 68) , MECH_MAP_CB6_AE7( 68)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6_AE7( 68)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 69) , SPMH_MAP_CB6_AE7( 69)\n & / 'cedrol ', 73 /\n DATA MECH_NAM_CB6_AE7( 69) , MECH_MAP_CB6_AE7( 69)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6_AE7( 69)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 70) , SPMH_MAP_CB6_AE7( 70)\n & / 'homosalate ', 78 /\n DATA MECH_NAM_CB6_AE7( 70) , MECH_MAP_CB6_AE7( 70)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6_AE7( 70)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 71) , SPMH_MAP_CB6_AE7( 71)\n & / '2ethyl_hexyl_salate ', 68 /\n DATA MECH_NAM_CB6_AE7( 71) , MECH_MAP_CB6_AE7( 71)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6_AE7( 71)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 72) , SPMH_MAP_CB6_AE7( 72)\n & / 'cedrene_a ', 72 /\n DATA MECH_NAM_CB6_AE7( 72) , MECH_MAP_CB6_AE7( 72)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6_AE7( 72)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 73) , SPMH_MAP_CB6_AE7( 73)\n & / 'thujopsene ', 83 /\n DATA MECH_NAM_CB6_AE7( 73) , MECH_MAP_CB6_AE7( 73)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6_AE7( 73)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 74) , SPMH_MAP_CB6_AE7( 74)\n & / 'longifolene ', 81 /\n DATA MECH_NAM_CB6_AE7( 74) , MECH_MAP_CB6_AE7( 74)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6_AE7( 74)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 75) , SPMH_MAP_CB6_AE7( 75)\n & / 'cadinol_a ', 71 /\n DATA MECH_NAM_CB6_AE7( 75) , MECH_MAP_CB6_AE7( 75)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6_AE7( 75)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 76) , SPMH_MAP_CB6_AE7( 76)\n & / 'zingiberene_a ', 85 /\n DATA MECH_NAM_CB6_AE7( 76) , MECH_MAP_CB6_AE7( 76)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6_AE7( 76)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 77) , SPMH_MAP_CB6_AE7( 77)\n & / 'isolongifolene ', 79 /\n DATA MECH_NAM_CB6_AE7( 77) , MECH_MAP_CB6_AE7( 77)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6_AE7( 77)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 78) , SPMH_MAP_CB6_AE7( 78)\n & / 'longicyclene ', 87 /\n DATA MECH_NAM_CB6_AE7( 78) , MECH_MAP_CB6_AE7( 78)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6_AE7( 78)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 79) , SPMH_MAP_CB6_AE7( 79)\n & / 'copaene_a ', 74 /\n DATA MECH_NAM_CB6_AE7( 79) , MECH_MAP_CB6_AE7( 79)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6_AE7( 79)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 80) , SPMH_MAP_CB6_AE7( 80)\n & / 'bourbonene_b ', 70 /\n DATA MECH_NAM_CB6_AE7( 80) , MECH_MAP_CB6_AE7( 80)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6_AE7( 80)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 81) , SPMH_MAP_CB6_AE7( 81)\n & / 'longipinene ', 82 /\n DATA MECH_NAM_CB6_AE7( 81) , MECH_MAP_CB6_AE7( 81)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6_AE7( 81)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 82) , SPMH_MAP_CB6_AE7( 82)\n & / 'cubebene_b ', 76 /\n DATA MECH_NAM_CB6_AE7( 82) , MECH_MAP_CB6_AE7( 82)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6_AE7( 82)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 83) , SPMH_MAP_CB6_AE7( 83)\n & / 'ylangene_a ', 84 /\n DATA MECH_NAM_CB6_AE7( 83) , MECH_MAP_CB6_AE7( 83)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6_AE7( 83)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 84) , SPMH_MAP_CB6_AE7( 84)\n & / 'cubebene_a ', 75 /\n DATA MECH_NAM_CB6_AE7( 84) , MECH_MAP_CB6_AE7( 84)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6_AE7( 84)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 85) , SPMH_MAP_CB6_AE7( 85)\n & / 'copaene_b ', 86 /\n DATA MECH_NAM_CB6_AE7( 85) , MECH_MAP_CB6_AE7( 85)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6_AE7( 85)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 86) , SPMH_MAP_CB6_AE7( 86)\n & / 'kaur_16_ene ', 80 /\n DATA MECH_NAM_CB6_AE7( 86) , MECH_MAP_CB6_AE7( 86)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6_AE7( 86)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 87) , SPMH_MAP_CB6_AE7( 87)\n & / 'gurjunene_b ', 77 /\n DATA MECH_NAM_CB6_AE7( 87) , MECH_MAP_CB6_AE7( 87)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6_AE7( 87)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 88) , SPMH_MAP_CB6_AE7( 88)\n & / 'aromadendrene ', 69 /\n DATA MECH_NAM_CB6_AE7( 88) , MECH_MAP_CB6_AE7( 88)\n & / 'SESQ ', 30 /\n DATA CONV_FAC_CB6_AE7( 88)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 89) , SPMH_MAP_CB6_AE7( 89)\n & / 'methanol ', 88 /\n DATA MECH_NAM_CB6_AE7( 89) , MECH_MAP_CB6_AE7( 89)\n & / 'MEOH ', 7 /\n DATA CONV_FAC_CB6_AE7( 89)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 90) , SPMH_MAP_CB6_AE7( 90)\n & / 'acetone ', 89 /\n DATA MECH_NAM_CB6_AE7( 90) , MECH_MAP_CB6_AE7( 90)\n & / 'ACET ', 23 /\n DATA CONV_FAC_CB6_AE7( 90)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 91) , SPMH_MAP_CB6_AE7( 91)\n & / 'ethanol ', 91 /\n DATA MECH_NAM_CB6_AE7( 91) , MECH_MAP_CB6_AE7( 91)\n & / 'ETOH ', 12 /\n DATA CONV_FAC_CB6_AE7( 91)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 92) , SPMH_MAP_CB6_AE7( 92)\n & / 'acetaldehyde ', 90 /\n DATA MECH_NAM_CB6_AE7( 92) , MECH_MAP_CB6_AE7( 92)\n & / 'ALD2 ', 11 /\n DATA CONV_FAC_CB6_AE7( 92)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 93) , SPMH_MAP_CB6_AE7( 93)\n & / 'formic_acid ', 93 /\n DATA MECH_NAM_CB6_AE7( 93) , MECH_MAP_CB6_AE7( 93)\n & / 'FACD ', 26 /\n DATA CONV_FAC_CB6_AE7( 93)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 94) , SPMH_MAP_CB6_AE7( 94)\n & / 'acetic_acid ', 92 /\n DATA MECH_NAM_CB6_AE7( 94) , MECH_MAP_CB6_AE7( 94)\n & / 'AACD ', 25 /\n DATA CONV_FAC_CB6_AE7( 94)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 95) , SPMH_MAP_CB6_AE7( 95)\n & / 'ethane ', 100 /\n DATA MECH_NAM_CB6_AE7( 95) , MECH_MAP_CB6_AE7( 95)\n & / 'ETHA ', 18 /\n DATA CONV_FAC_CB6_AE7( 95)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 96) , SPMH_MAP_CB6_AE7( 96)\n & / 'ethene ', 101 /\n DATA MECH_NAM_CB6_AE7( 96) , MECH_MAP_CB6_AE7( 96)\n & / 'ETH ', 19 /\n DATA CONV_FAC_CB6_AE7( 96)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 97) , SPMH_MAP_CB6_AE7( 97)\n & / 'propane ', 102 /\n DATA MECH_NAM_CB6_AE7( 97) , MECH_MAP_CB6_AE7( 97)\n & / 'PRPA ', 21 /\n DATA CONV_FAC_CB6_AE7( 97)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 98) , SPMH_MAP_CB6_AE7( 98)\n & / 'butene ', 97 /\n DATA MECH_NAM_CB6_AE7( 98) , MECH_MAP_CB6_AE7( 98)\n & / 'OLE ', 5 /\n DATA CONV_FAC_CB6_AE7( 98)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 99) , SPMH_MAP_CB6_AE7( 99)\n & / 'butene ', 97 /\n DATA MECH_NAM_CB6_AE7( 99) , MECH_MAP_CB6_AE7( 99)\n & / 'PAR ', 3 /\n DATA CONV_FAC_CB6_AE7( 99)\n & / 2 /\n \n DATA SPMH_NAM_CB6_AE7( 100) , SPMH_MAP_CB6_AE7( 100)\n & / 'propene ', 103 /\n DATA MECH_NAM_CB6_AE7( 100) , MECH_MAP_CB6_AE7( 100)\n & / 'OLE ', 5 /\n DATA CONV_FAC_CB6_AE7( 100)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 101) , SPMH_MAP_CB6_AE7( 101)\n & / 'propene ', 103 /\n DATA MECH_NAM_CB6_AE7( 101) , MECH_MAP_CB6_AE7( 101)\n & / 'PAR ', 3 /\n DATA CONV_FAC_CB6_AE7( 101)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 102) , SPMH_MAP_CB6_AE7( 102)\n & / '2_methylprop_1_ene ', 95 /\n DATA MECH_NAM_CB6_AE7( 102) , MECH_MAP_CB6_AE7( 102)\n & / 'OLE ', 5 /\n DATA CONV_FAC_CB6_AE7( 102)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 103) , SPMH_MAP_CB6_AE7( 103)\n & / '2_methylprop_1_ene ', 95 /\n DATA MECH_NAM_CB6_AE7( 103) , MECH_MAP_CB6_AE7( 103)\n & / 'PAR ', 3 /\n DATA CONV_FAC_CB6_AE7( 103)\n & / 2 /\n \n DATA SPMH_NAM_CB6_AE7( 104) , SPMH_MAP_CB6_AE7( 104)\n & / 'butene_c2 ', 98 /\n DATA MECH_NAM_CB6_AE7( 104) , MECH_MAP_CB6_AE7( 104)\n & / 'IOLE ', 16 /\n DATA CONV_FAC_CB6_AE7( 104)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 105) , SPMH_MAP_CB6_AE7( 105)\n & / 'butene_t2 ', 99 /\n DATA MECH_NAM_CB6_AE7( 105) , MECH_MAP_CB6_AE7( 105)\n & / 'IOLE ', 16 /\n DATA CONV_FAC_CB6_AE7( 105)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 106) , SPMH_MAP_CB6_AE7( 106)\n & / 'formaldehyde ', 113 /\n DATA MECH_NAM_CB6_AE7( 106) , MECH_MAP_CB6_AE7( 106)\n & / 'FORM ', 13 /\n DATA CONV_FAC_CB6_AE7( 106)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 107) , SPMH_MAP_CB6_AE7( 107)\n & / 'met_heptenone ', 106 /\n DATA MECH_NAM_CB6_AE7( 107) , MECH_MAP_CB6_AE7( 107)\n & / 'ISPD ', 28 /\n DATA CONV_FAC_CB6_AE7( 107)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 108) , SPMH_MAP_CB6_AE7( 108)\n & / 'oxopentanal ', 114 /\n DATA MECH_NAM_CB6_AE7( 108) , MECH_MAP_CB6_AE7( 108)\n & / 'ISPD ', 28 /\n DATA CONV_FAC_CB6_AE7( 108)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 109) , SPMH_MAP_CB6_AE7( 109)\n & / 'geranyl_acetone ', 105 /\n DATA MECH_NAM_CB6_AE7( 109) , MECH_MAP_CB6_AE7( 109)\n & / 'ISPD ', 28 /\n DATA CONV_FAC_CB6_AE7( 109)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 110) , SPMH_MAP_CB6_AE7( 110)\n & / 'hexanal ', 141 /\n DATA MECH_NAM_CB6_AE7( 110) , MECH_MAP_CB6_AE7( 110)\n & / 'ISPD ', 28 /\n DATA CONV_FAC_CB6_AE7( 110)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 111) , SPMH_MAP_CB6_AE7( 111)\n & / 'hydrogen_cyanide ', 147 /\n DATA MECH_NAM_CB6_AE7( 111) , MECH_MAP_CB6_AE7( 111)\n & / 'HCN ', 27 /\n DATA CONV_FAC_CB6_AE7( 111)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 112) , SPMH_MAP_CB6_AE7( 112)\n & / 'linalool ', 150 /\n DATA MECH_NAM_CB6_AE7( 112) , MECH_MAP_CB6_AE7( 112)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6_AE7( 112)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 113) , SPMH_MAP_CB6_AE7( 113)\n & / 'methacrolein ', 153 /\n DATA MECH_NAM_CB6_AE7( 113) , MECH_MAP_CB6_AE7( 113)\n & / 'ISPD ', 28 /\n DATA CONV_FAC_CB6_AE7( 113)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 114) , SPMH_MAP_CB6_AE7( 114)\n & / 'met_vinylketone ', 158 /\n DATA MECH_NAM_CB6_AE7( 114) , MECH_MAP_CB6_AE7( 114)\n & / 'ISPD ', 28 /\n DATA CONV_FAC_CB6_AE7( 114)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 115) , SPMH_MAP_CB6_AE7( 115)\n & / 'hexanol_1 ', 142 /\n DATA MECH_NAM_CB6_AE7( 115) , MECH_MAP_CB6_AE7( 115)\n & / 'ISPD ', 28 /\n DATA CONV_FAC_CB6_AE7( 115)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 116) , SPMH_MAP_CB6_AE7( 116)\n & / 'met_salicylate ', 156 /\n DATA MECH_NAM_CB6_AE7( 116) , MECH_MAP_CB6_AE7( 116)\n & / 'ISPD ', 28 /\n DATA CONV_FAC_CB6_AE7( 116)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 117) , SPMH_MAP_CB6_AE7( 117)\n & / 'cineole_1_8 ', 133 /\n DATA MECH_NAM_CB6_AE7( 117) , MECH_MAP_CB6_AE7( 117)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6_AE7( 117)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 118) , SPMH_MAP_CB6_AE7( 118)\n & / 'hexenal_t2 ', 144 /\n DATA MECH_NAM_CB6_AE7( 118) , MECH_MAP_CB6_AE7( 118)\n & / 'ISPD ', 28 /\n DATA CONV_FAC_CB6_AE7( 118)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 119) , SPMH_MAP_CB6_AE7( 119)\n & / 'hexenol_c3 ', 145 /\n DATA MECH_NAM_CB6_AE7( 119) , MECH_MAP_CB6_AE7( 119)\n & / 'ISPD ', 28 /\n DATA CONV_FAC_CB6_AE7( 119)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 120) , SPMH_MAP_CB6_AE7( 120)\n & / 'hexenyl_ACT_c3 ', 146 /\n DATA MECH_NAM_CB6_AE7( 120) , MECH_MAP_CB6_AE7( 120)\n & / 'ISPD ', 28 /\n DATA CONV_FAC_CB6_AE7( 120)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 121) , SPMH_MAP_CB6_AE7( 121)\n & / 'hexenal_c3 ', 143 /\n DATA MECH_NAM_CB6_AE7( 121) , MECH_MAP_CB6_AE7( 121)\n & / 'ISPD ', 28 /\n DATA CONV_FAC_CB6_AE7( 121)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 122) , SPMH_MAP_CB6_AE7( 122)\n & / '2met_nonatriene ', 137 /\n DATA MECH_NAM_CB6_AE7( 122) , MECH_MAP_CB6_AE7( 122)\n & / 'TERP ', 2 /\n DATA CONV_FAC_CB6_AE7( 122)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 123) , SPMH_MAP_CB6_AE7( 123)\n & / 'methane ', 184 /\n DATA MECH_NAM_CB6_AE7( 123) , MECH_MAP_CB6_AE7( 123)\n & / 'CH4 ', 8 /\n DATA CONV_FAC_CB6_AE7( 123)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 124) , SPMH_MAP_CB6_AE7( 124)\n & / 'met_bromide ', 185 /\n DATA MECH_NAM_CB6_AE7( 124) , MECH_MAP_CB6_AE7( 124)\n & / 'CH3BR ', 32 /\n DATA CONV_FAC_CB6_AE7( 124)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 125) , SPMH_MAP_CB6_AE7( 125)\n & / 'met_chloride ', 186 /\n DATA MECH_NAM_CB6_AE7( 125) , MECH_MAP_CB6_AE7( 125)\n & / 'CH3CL ', 33 /\n DATA CONV_FAC_CB6_AE7( 125)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 126) , SPMH_MAP_CB6_AE7( 126)\n & / 'met_iodide ', 187 /\n DATA MECH_NAM_CB6_AE7( 126) , MECH_MAP_CB6_AE7( 126)\n & / 'CH3I ', 34 /\n DATA CONV_FAC_CB6_AE7( 126)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 127) , SPMH_MAP_CB6_AE7( 127)\n & / 'met_mercaptan ', 188 /\n DATA MECH_NAM_CB6_AE7( 127) , MECH_MAP_CB6_AE7( 127)\n & / 'TRS ', 31 /\n DATA CONV_FAC_CB6_AE7( 127)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 128) , SPMH_MAP_CB6_AE7( 128)\n & / 'carbon_2s ', 171 /\n DATA MECH_NAM_CB6_AE7( 128) , MECH_MAP_CB6_AE7( 128)\n & / 'TRS ', 31 /\n DATA CONV_FAC_CB6_AE7( 128)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 129) , SPMH_MAP_CB6_AE7( 129)\n & / '2met_s ', 176 /\n DATA MECH_NAM_CB6_AE7( 129) , MECH_MAP_CB6_AE7( 129)\n & / 'TRS ', 31 /\n DATA CONV_FAC_CB6_AE7( 129)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 130) , SPMH_MAP_CB6_AE7( 130)\n & / 'butanone_2 ', 170 /\n DATA MECH_NAM_CB6_AE7( 130) , MECH_MAP_CB6_AE7( 130)\n & / 'ISPD ', 28 /\n DATA CONV_FAC_CB6_AE7( 130)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 131) , SPMH_MAP_CB6_AE7( 131)\n & / 'terpinyl_ACT_a ', 197 /\n DATA MECH_NAM_CB6_AE7( 131) , MECH_MAP_CB6_AE7( 131)\n & / 'TERP ', 28 /\n DATA CONV_FAC_CB6_AE7( 131)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 132) , SPMH_MAP_CB6_AE7( 132)\n & / 'pentane ', 193 /\n DATA MECH_NAM_CB6_AE7( 132) , MECH_MAP_CB6_AE7( 132)\n & / 'PAR ', 3 /\n DATA CONV_FAC_CB6_AE7( 132)\n & / 5 /\n \n DATA SPMH_NAM_CB6_AE7( 133) , SPMH_MAP_CB6_AE7( 133)\n & / 'hexane ', 181 /\n DATA MECH_NAM_CB6_AE7( 133) , MECH_MAP_CB6_AE7( 133)\n & / 'PAR ', 3 /\n DATA CONV_FAC_CB6_AE7( 133)\n & / 6 /\n \n DATA SPMH_NAM_CB6_AE7( 134) , SPMH_MAP_CB6_AE7( 134)\n & / 'decane ', 173 /\n DATA MECH_NAM_CB6_AE7( 134) , MECH_MAP_CB6_AE7( 134)\n & / 'PAR ', 3 /\n DATA CONV_FAC_CB6_AE7( 134)\n & / 10 /\n \n DATA SPMH_NAM_CB6_AE7( 135) , SPMH_MAP_CB6_AE7( 135)\n & / 'heptane ', 179 /\n DATA MECH_NAM_CB6_AE7( 135) , MECH_MAP_CB6_AE7( 135)\n & / 'PAR ', 3 /\n DATA CONV_FAC_CB6_AE7( 135)\n & / 7 /\n \n DATA SPMH_NAM_CB6_AE7( 136) , SPMH_MAP_CB6_AE7( 136)\n & / 'carbonyl_s ', 172 /\n DATA MECH_NAM_CB6_AE7( 136) , MECH_MAP_CB6_AE7( 136)\n & / 'TRS ', 31 /\n DATA CONV_FAC_CB6_AE7( 136)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 137) , SPMH_MAP_CB6_AE7( 137)\n & / '2met_2s ', 175 /\n DATA MECH_NAM_CB6_AE7( 137) , MECH_MAP_CB6_AE7( 137)\n & / 'TRS ', 31 /\n DATA CONV_FAC_CB6_AE7( 137)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 138) , SPMH_MAP_CB6_AE7( 138)\n & / 'undecane ', 199 /\n DATA MECH_NAM_CB6_AE7( 138) , MECH_MAP_CB6_AE7( 138)\n & / 'PAR ', 3 /\n DATA CONV_FAC_CB6_AE7( 138)\n & / 11 /\n \n DATA SPMH_NAM_CB6_AE7( 139) , SPMH_MAP_CB6_AE7( 139)\n & / 'tetradecene_1 ', 198 /\n DATA MECH_NAM_CB6_AE7( 139) , MECH_MAP_CB6_AE7( 139)\n & / 'PAR ', 3 /\n DATA CONV_FAC_CB6_AE7( 139)\n & / 14 /\n \n DATA SPMH_NAM_CB6_AE7( 140) , SPMH_MAP_CB6_AE7( 140)\n & / 'diallyl_2s ', 174 /\n DATA MECH_NAM_CB6_AE7( 140) , MECH_MAP_CB6_AE7( 140)\n & / 'TRS ', 31 /\n DATA CONV_FAC_CB6_AE7( 140)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 141) , SPMH_MAP_CB6_AE7( 141)\n & / 'PPPP_2s ', 194 /\n DATA MECH_NAM_CB6_AE7( 141) , MECH_MAP_CB6_AE7( 141)\n & / 'TRS ', 31 /\n DATA CONV_FAC_CB6_AE7( 141)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 142) , SPMH_MAP_CB6_AE7( 142)\n & / 'met_propenyl_2s ', 189 /\n DATA MECH_NAM_CB6_AE7( 142) , MECH_MAP_CB6_AE7( 142)\n & / 'TRS ', 31 /\n DATA CONV_FAC_CB6_AE7( 142)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 143) , SPMH_MAP_CB6_AE7( 143)\n & / 'hydrogen_s ', 182 /\n DATA MECH_NAM_CB6_AE7( 143) , MECH_MAP_CB6_AE7( 143)\n & / 'TRS ', 31 /\n DATA CONV_FAC_CB6_AE7( 143)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 144) , SPMH_MAP_CB6_AE7( 144)\n & / 'carbon_monoxide ', 200 /\n DATA MECH_NAM_CB6_AE7( 144) , MECH_MAP_CB6_AE7( 144)\n & / 'CO ', 17 /\n DATA CONV_FAC_CB6_AE7( 144)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 145) , SPMH_MAP_CB6_AE7( 145)\n & / 'nitric_OXD ', 201 /\n DATA MECH_NAM_CB6_AE7( 145) , MECH_MAP_CB6_AE7( 145)\n & / 'NO ', 10 /\n DATA CONV_FAC_CB6_AE7( 145)\n & / 1 /\n \n DATA SPMH_NAM_CB6_AE7( 146) , SPMH_MAP_CB6_AE7( 146)\n & / 'formaldehyde ', 113 /\n DATA MECH_NAM_CB6_AE7( 146) , MECH_MAP_CB6_AE7( 146)\n & / 'FORM_PRIMARY', 37 /\n DATA CONV_FAC_CB6_AE7( 146)\n & / 1 /\n\n DATA SPMH_NAM_CB6_AE7( 147) , SPMH_MAP_CB6_AE7( 147)\n & / 'acetaldehyde ', 90 /\n DATA MECH_NAM_CB6_AE7( 147) , MECH_MAP_CB6_AE7( 147)\n & / 'ALD2_PRIMARY', 36 /\n DATA CONV_FAC_CB6_AE7( 147)\n & / 1 /\n" }, { "path": "CCTM/src/biog/megan3/MAP_CV2CRACMM1.EXT", "content": "C=======================================================================\nC MAP_CV2CRACMM1.EXT\nC This include file contains conversion table for 201 speciated species\nC to CRACMM1 (CMAQ) species\nC\nC MEGAN v3\nC\nC History:\nC Who When What\nC ---------------------------------------------------------------------\nC Jeff Willison 05/17/2022 - Created for MEGANv3.2 in CMAQ\nC=======================================================================\n\n CHARACTER*16 MAP_CRACMM1MECH\n PARAMETER (MAP_CRACMM1MECH = 'CRACMM1 ')\n\n INTEGER N_CRACMM1\n PARAMETER (N_CRACMM1 = (200)) ! Number of map species\n\n CHARACTER*16 SPMH_NAM_CRACMM1( N_CRACMM1 ) ! speciated species name\n INTEGER SPMH_MAP_CRACMM1( N_CRACMM1 ) ! speciated species index\n ! mapped to SPC_NOCONVER.EXT\n CHARACTER*16 MECH_NAM_CRACMM1( N_CRACMM1 ) ! mechanism species\n INTEGER MECH_MAP_CRACMM1( N_CRACMM1 ) ! mechanism species mapped\n\n REAL CONV_FAC_CRACMM1( N_CRACMM1 ) ! conversion factor\n\n\n DATA SPMH_NAM_CRACMM1( 1) , SPMH_MAP_CRACMM1(1) \n & / 'isoprene ', 1 / \n DATA MECH_NAM_CRACMM1(1 ) , MECH_MAP_CRACMM1( 1) \n & / 'ISO ', 1 / \n DATA CONV_FAC_CRACMM1( 1) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 2) , SPMH_MAP_CRACMM1(2) \n & / 'MBO_2m3e2ol ', 2 / \n DATA MECH_NAM_CRACMM1(2 ) , MECH_MAP_CRACMM1( 2) \n & / 'OLT ', 2 / \n DATA CONV_FAC_CRACMM1( 2) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 3) , SPMH_MAP_CRACMM1(3) \n & / 'pinene_a ', 3 / \n DATA MECH_NAM_CRACMM1(3 ) , MECH_MAP_CRACMM1( 3) \n & / 'API ', 3 / \n DATA CONV_FAC_CRACMM1( 3) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 4) , SPMH_MAP_CRACMM1(4) \n & / 'pinene_b ', 4 / \n DATA MECH_NAM_CRACMM1(4 ) , MECH_MAP_CRACMM1( 4) \n & / 'API ', 3 / \n DATA CONV_FAC_CRACMM1( 4) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 5) , SPMH_MAP_CRACMM1(5) \n & / 'myrcene ', 5 / \n DATA MECH_NAM_CRACMM1(5 ) , MECH_MAP_CRACMM1( 5) \n & / 'LIM ', 4 / \n DATA CONV_FAC_CRACMM1( 5) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 6) , SPMH_MAP_CRACMM1(6) \n & / 'ocimene_al ', 6 / \n DATA MECH_NAM_CRACMM1(6 ) , MECH_MAP_CRACMM1( 6) \n & / 'LIM ', 4 / \n DATA CONV_FAC_CRACMM1( 6) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 7) , SPMH_MAP_CRACMM1(7) \n & / 'ocimene_c_b ', 7 / \n DATA MECH_NAM_CRACMM1(7 ) , MECH_MAP_CRACMM1( 7) \n & / 'LIM ', 4 / \n DATA CONV_FAC_CRACMM1( 7) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 8) , SPMH_MAP_CRACMM1(8) \n & / 'ocimene_t_b ', 8 / \n DATA MECH_NAM_CRACMM1(8 ) , MECH_MAP_CRACMM1( 8) \n & / 'LIM ', 4 / \n DATA CONV_FAC_CRACMM1( 8) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 9) , SPMH_MAP_CRACMM1(9) \n & / 'bornene ', 9 / \n DATA MECH_NAM_CRACMM1(9 ) , MECH_MAP_CRACMM1( 9) \n & / 'API ', 3 / \n DATA CONV_FAC_CRACMM1( 9) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 10) , SPMH_MAP_CRACMM1(10) \n & / 'camphene ', 10 / \n DATA MECH_NAM_CRACMM1(10 ) , MECH_MAP_CRACMM1( 10) \n & / 'API ', 3 / \n DATA CONV_FAC_CRACMM1( 10) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 11) , SPMH_MAP_CRACMM1(11) \n & / 'carene_3 ', 11 / \n DATA MECH_NAM_CRACMM1(11 ) , MECH_MAP_CRACMM1( 11) \n & / 'API ', 3 / \n DATA CONV_FAC_CRACMM1( 11) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 12) , SPMH_MAP_CRACMM1(12) \n & / 'fenchene_a ', 12 / \n DATA MECH_NAM_CRACMM1(12 ) , MECH_MAP_CRACMM1( 12) \n & / 'API ', 3 / \n DATA CONV_FAC_CRACMM1( 12) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 13) , SPMH_MAP_CRACMM1(13) \n & / 'fenchene_b ', 13 / \n DATA MECH_NAM_CRACMM1(13 ) , MECH_MAP_CRACMM1( 13) \n & / 'API ', 3 / \n DATA CONV_FAC_CRACMM1( 13) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 14) , SPMH_MAP_CRACMM1(14) \n & / 'tricyclene ', 14 / \n DATA MECH_NAM_CRACMM1(14 ) , MECH_MAP_CRACMM1( 14) \n & / 'HC3 ', 5 / \n DATA CONV_FAC_CRACMM1( 14) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 15) , SPMH_MAP_CRACMM1(15) \n & / 'limonene ', 15 / \n DATA MECH_NAM_CRACMM1(15 ) , MECH_MAP_CRACMM1( 15) \n & / 'LIM ', 4 / \n DATA CONV_FAC_CRACMM1( 15) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 16) , SPMH_MAP_CRACMM1(16) \n & / 'phellandrene_b ', 16 / \n DATA MECH_NAM_CRACMM1(16 ) , MECH_MAP_CRACMM1( 16) \n & / 'LIM ', 4 / \n DATA CONV_FAC_CRACMM1( 16) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 17) , SPMH_MAP_CRACMM1(17) \n & / 'phellandrene_a ', 17 / \n DATA MECH_NAM_CRACMM1(17 ) , MECH_MAP_CRACMM1( 17) \n & / 'LIM ', 4 / \n DATA CONV_FAC_CRACMM1( 17) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 18) , SPMH_MAP_CRACMM1(18) \n & / 'sabinene ', 18 / \n DATA MECH_NAM_CRACMM1(18 ) , MECH_MAP_CRACMM1( 18) \n & / 'API ', 3 / \n DATA CONV_FAC_CRACMM1( 18) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 19) , SPMH_MAP_CRACMM1(19) \n & / 'terpinene_a ', 19 / \n DATA MECH_NAM_CRACMM1(19 ) , MECH_MAP_CRACMM1( 19) \n & / 'LIM ', 4 / \n DATA CONV_FAC_CRACMM1( 19) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 20) , SPMH_MAP_CRACMM1(20) \n & / 'terpinene_g ', 20 / \n DATA MECH_NAM_CRACMM1(20 ) , MECH_MAP_CRACMM1( 20) \n & / 'LIM ', 4 / \n DATA CONV_FAC_CRACMM1( 20) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 21) , SPMH_MAP_CRACMM1(21) \n & / 'terpinolene ', 21 / \n DATA MECH_NAM_CRACMM1(21 ) , MECH_MAP_CRACMM1( 21) \n & / 'LIM ', 4 / \n DATA CONV_FAC_CRACMM1( 21) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 22) , SPMH_MAP_CRACMM1(22) \n & / 'thujene_a ', 22 / \n DATA MECH_NAM_CRACMM1(22 ) , MECH_MAP_CRACMM1( 22) \n & / 'API ', 3 / \n DATA CONV_FAC_CRACMM1( 22) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 23) , SPMH_MAP_CRACMM1(23) \n & / 'verbenene ', 23 / \n DATA MECH_NAM_CRACMM1(23 ) , MECH_MAP_CRACMM1( 23) \n & / 'FURAN ', 6 / \n DATA CONV_FAC_CRACMM1( 23) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 24) , SPMH_MAP_CRACMM1(24) \n & / 'cymene_o ', 24 / \n DATA MECH_NAM_CRACMM1(24 ) , MECH_MAP_CRACMM1( 24) \n & / 'XYE ', 7 / \n DATA CONV_FAC_CRACMM1( 24) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 25) , SPMH_MAP_CRACMM1(25) \n & / 'cymene_p ', 25 / \n DATA MECH_NAM_CRACMM1(25 ) , MECH_MAP_CRACMM1( 25) \n & / 'VROCP6ARO ', 8 / \n DATA CONV_FAC_CRACMM1( 25) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 26) , SPMH_MAP_CRACMM1(26) \n & / 'meta-cymenene ', 26 / \n DATA MECH_NAM_CRACMM1(26 ) , MECH_MAP_CRACMM1( 26) \n & / 'XYE ', 7 / \n DATA CONV_FAC_CRACMM1( 26) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 27) , SPMH_MAP_CRACMM1(27) \n & / 'p-cymenene ', 27 / \n DATA MECH_NAM_CRACMM1(27 ) , MECH_MAP_CRACMM1( 27) \n & / 'XYM ', 9 / \n DATA CONV_FAC_CRACMM1( 27) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 28) , SPMH_MAP_CRACMM1(28) \n & / 'borneol ', 28 / \n DATA MECH_NAM_CRACMM1(28 ) , MECH_MAP_CRACMM1( 28) \n & / 'VROCIOXY ', 10 / \n DATA CONV_FAC_CRACMM1( 28) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 29) , SPMH_MAP_CRACMM1(29) \n & / 'bornyl_ACT ', 29 / \n DATA MECH_NAM_CRACMM1(29 ) , MECH_MAP_CRACMM1( 29) \n & / 'VROCIOXY ', 10 / \n DATA CONV_FAC_CRACMM1( 29) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 30) , SPMH_MAP_CRACMM1(30) \n & / 'camphor ', 30 / \n DATA MECH_NAM_CRACMM1(30 ) , MECH_MAP_CRACMM1( 30) \n & / 'KET ', 11 / \n DATA CONV_FAC_CRACMM1( 30) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 31) , SPMH_MAP_CRACMM1(31) \n & / 'estragole ', 31 / \n DATA MECH_NAM_CRACMM1(31 ) , MECH_MAP_CRACMM1( 31) \n & / 'VROCP6ARO ', 8 / \n DATA CONV_FAC_CRACMM1( 31) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 32) , SPMH_MAP_CRACMM1(32) \n & / 'fenchone ', 32 / \n DATA MECH_NAM_CRACMM1(32 ) , MECH_MAP_CRACMM1( 32) \n & / 'KET ', 11 / \n DATA CONV_FAC_CRACMM1( 32) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 33) , SPMH_MAP_CRACMM1(33) \n & / 'ionone_b ', 33 / \n DATA MECH_NAM_CRACMM1(33 ) , MECH_MAP_CRACMM1( 33) \n & / 'VROCP6ARO ', 8 / \n DATA CONV_FAC_CRACMM1( 33) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 34) , SPMH_MAP_CRACMM1(34) \n & / 'ipsenol ', 34 / \n DATA MECH_NAM_CRACMM1(34 ) , MECH_MAP_CRACMM1( 34) \n & / 'LIM ', 4 / \n DATA CONV_FAC_CRACMM1( 34) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 35) , SPMH_MAP_CRACMM1(35) \n & / 'myrtenal ', 35 / \n DATA MECH_NAM_CRACMM1(35 ) , MECH_MAP_CRACMM1( 35) \n & / 'VROCIOXY ', 10 / \n DATA CONV_FAC_CRACMM1( 35) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 36) , SPMH_MAP_CRACMM1(36) \n & / 'octanol ', 36 / \n DATA MECH_NAM_CRACMM1(36 ) , MECH_MAP_CRACMM1( 36) \n & / 'VROCIOXY ', 10 / \n DATA CONV_FAC_CRACMM1( 36) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 37) , SPMH_MAP_CRACMM1(37) \n & / 'octenol_1e3ol ', 37 / \n DATA MECH_NAM_CRACMM1(37 ) , MECH_MAP_CRACMM1( 37) \n & / 'VROCP6ARO ', 8 / \n DATA CONV_FAC_CRACMM1( 37) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 38) , SPMH_MAP_CRACMM1(38) \n & / 'piperitone ', 38 / \n DATA MECH_NAM_CRACMM1(38 ) , MECH_MAP_CRACMM1( 38) \n & / 'API ', 3 / \n DATA CONV_FAC_CRACMM1( 38) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 39) , SPMH_MAP_CRACMM1(39) \n & / 'terpineol_4 ', 39 / \n DATA MECH_NAM_CRACMM1(39 ) , MECH_MAP_CRACMM1( 39) \n & / 'API ', 3 / \n DATA CONV_FAC_CRACMM1( 39) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 40) , SPMH_MAP_CRACMM1(40) \n & / 'terpineol_a ', 40 / \n DATA MECH_NAM_CRACMM1(40 ) , MECH_MAP_CRACMM1( 40) \n & / 'API ', 3 / \n DATA CONV_FAC_CRACMM1( 40) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 41) , SPMH_MAP_CRACMM1(41) \n & / 'thujone_a ', 41 / \n DATA MECH_NAM_CRACMM1(41 ) , MECH_MAP_CRACMM1( 41) \n & / 'KET ', 11 / \n DATA CONV_FAC_CRACMM1( 41) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 42) , SPMH_MAP_CRACMM1(42) \n & / 'thujone_b ', 42 / \n DATA MECH_NAM_CRACMM1(42 ) , MECH_MAP_CRACMM1( 42) \n & / 'KET ', 11 / \n DATA CONV_FAC_CRACMM1( 42) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 43) , SPMH_MAP_CRACMM1(43) \n & / 'acoradiene ', 43 / \n DATA MECH_NAM_CRACMM1(43 ) , MECH_MAP_CRACMM1( 43) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM1( 43) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 44) , SPMH_MAP_CRACMM1(44) \n & / 'bergamotene_a ', 44 / \n DATA MECH_NAM_CRACMM1(44 ) , MECH_MAP_CRACMM1( 44) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM1( 44) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 45) , SPMH_MAP_CRACMM1(45) \n & / 'bergamotene_b ', 45 / \n DATA MECH_NAM_CRACMM1(45 ) , MECH_MAP_CRACMM1( 45) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM1( 45) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 46) , SPMH_MAP_CRACMM1(46) \n & / 'bisabolene_a ', 46 / \n DATA MECH_NAM_CRACMM1(46 ) , MECH_MAP_CRACMM1( 46) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM1( 46) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 47) , SPMH_MAP_CRACMM1(47) \n & / 'bisabolene_b ', 47 / \n DATA MECH_NAM_CRACMM1(47 ) , MECH_MAP_CRACMM1( 47) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM1( 47) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 48) , SPMH_MAP_CRACMM1(48) \n & / 'cadinene_d ', 48 / \n DATA MECH_NAM_CRACMM1(48 ) , MECH_MAP_CRACMM1( 48) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM1( 48) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 49) , SPMH_MAP_CRACMM1(49) \n & / 'cadinene_g ', 49 / \n DATA MECH_NAM_CRACMM1(49 ) , MECH_MAP_CRACMM1( 49) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM1( 49) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 50) , SPMH_MAP_CRACMM1(50) \n & / 'calarene ', 50 / \n DATA MECH_NAM_CRACMM1(50 ) , MECH_MAP_CRACMM1( 50) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM1( 50) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 51) , SPMH_MAP_CRACMM1(51) \n & / 'caryophyllene_b ', 51 / \n DATA MECH_NAM_CRACMM1(51 ) , MECH_MAP_CRACMM1( 51) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM1( 51) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 52) , SPMH_MAP_CRACMM1(52) \n & / 'caryophyllene_c_i ', 52 / \n DATA MECH_NAM_CRACMM1(52 ) , MECH_MAP_CRACMM1( 52) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM1( 52) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 53) , SPMH_MAP_CRACMM1(53) \n & / 'elemene_b ', 53 / \n DATA MECH_NAM_CRACMM1(53 ) , MECH_MAP_CRACMM1( 53) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM1( 53) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 54) , SPMH_MAP_CRACMM1(54) \n & / 'farnescene_a ', 54 / \n DATA MECH_NAM_CRACMM1(54 ) , MECH_MAP_CRACMM1( 54) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM1( 54) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 55) , SPMH_MAP_CRACMM1(55) \n & / 'farnescene_b ', 55 / \n DATA MECH_NAM_CRACMM1(55 ) , MECH_MAP_CRACMM1( 55) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM1( 55) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 56) , SPMH_MAP_CRACMM1(56) \n & / 'farnesol ', 56 / \n DATA MECH_NAM_CRACMM1(56 ) , MECH_MAP_CRACMM1( 56) \n & / 'VROCP5ARO ', 13 / \n DATA CONV_FAC_CRACMM1( 56) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 57) , SPMH_MAP_CRACMM1(57) \n & / 'germacrene_B ', 57 / \n DATA MECH_NAM_CRACMM1(57 ) , MECH_MAP_CRACMM1( 57) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM1( 57) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 58) , SPMH_MAP_CRACMM1(58) \n & / 'germacrene_D ', 58 / \n DATA MECH_NAM_CRACMM1(58 ) , MECH_MAP_CRACMM1( 58) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM1( 58) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 59) , SPMH_MAP_CRACMM1(59) \n & / 'humulene_a ', 59 / \n DATA MECH_NAM_CRACMM1(59 ) , MECH_MAP_CRACMM1( 59) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM1( 59) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 60) , SPMH_MAP_CRACMM1(60) \n & / 'humulene_g ', 60 / \n DATA MECH_NAM_CRACMM1(60 ) , MECH_MAP_CRACMM1( 60) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM1( 60) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 61) , SPMH_MAP_CRACMM1(61) \n & / 'muurolene_a ', 61 / \n DATA MECH_NAM_CRACMM1(61 ) , MECH_MAP_CRACMM1( 61) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM1( 61) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 62) , SPMH_MAP_CRACMM1(62) \n & / 'muurolene_g ', 62 / \n DATA MECH_NAM_CRACMM1(62 ) , MECH_MAP_CRACMM1( 62) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM1( 62) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 63) , SPMH_MAP_CRACMM1(63) \n & / 'nerolidol_c ', 63 / \n DATA MECH_NAM_CRACMM1(63 ) , MECH_MAP_CRACMM1( 63) \n & / 'VROCP5ARO ', 13 / \n DATA CONV_FAC_CRACMM1( 63) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 64) , SPMH_MAP_CRACMM1(64) \n & / 'nerolidol_t ', 64 / \n DATA MECH_NAM_CRACMM1(64 ) , MECH_MAP_CRACMM1( 64) \n & / 'VROCP5ARO ', 13 / \n DATA CONV_FAC_CRACMM1( 64) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 65) , SPMH_MAP_CRACMM1(65) \n & / 'patchoulene_b ', 65 / \n DATA MECH_NAM_CRACMM1(65 ) , MECH_MAP_CRACMM1( 65) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM1( 65) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 66) , SPMH_MAP_CRACMM1(66) \n & / 'selinene_b ', 66 / \n DATA MECH_NAM_CRACMM1(66 ) , MECH_MAP_CRACMM1( 66) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM1( 66) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 67) , SPMH_MAP_CRACMM1(67) \n & / 'selinene_d ', 67 / \n DATA MECH_NAM_CRACMM1(67 ) , MECH_MAP_CRACMM1( 67) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM1( 67) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 68) , SPMH_MAP_CRACMM1(68) \n & / '2ethyl_hexyl_salate ', 68 / \n DATA MECH_NAM_CRACMM1(68 ) , MECH_MAP_CRACMM1( 68) \n & / 'VROCP2ALK ', 14 / \n DATA CONV_FAC_CRACMM1( 68) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 69) , SPMH_MAP_CRACMM1(69) \n & / 'aromadendrene ', 69 / \n DATA MECH_NAM_CRACMM1(69 ) , MECH_MAP_CRACMM1( 69) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM1( 69) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 70) , SPMH_MAP_CRACMM1(70) \n & / 'bourbonene_b ', 70 / \n DATA MECH_NAM_CRACMM1(70 ) , MECH_MAP_CRACMM1( 70) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM1( 70) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 71) , SPMH_MAP_CRACMM1(71) \n & / 'cadinol_a ', 71 / \n DATA MECH_NAM_CRACMM1(71 ) , MECH_MAP_CRACMM1( 71) \n & / 'VROCP5ARO ', 13 / \n DATA CONV_FAC_CRACMM1( 71) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 72) , SPMH_MAP_CRACMM1(72) \n & / 'cedrene_a ', 72 / \n DATA MECH_NAM_CRACMM1(72 ) , MECH_MAP_CRACMM1( 72) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM1( 72) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 73) , SPMH_MAP_CRACMM1(73) \n & / 'cedrol ', 73 / \n DATA MECH_NAM_CRACMM1(73 ) , MECH_MAP_CRACMM1( 73) \n & / 'VROCP5ALK ', 15 / \n DATA CONV_FAC_CRACMM1( 73) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 74) , SPMH_MAP_CRACMM1(74) \n & / 'copaene_a ', 74 / \n DATA MECH_NAM_CRACMM1(74 ) , MECH_MAP_CRACMM1( 74) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM1( 74) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 75) , SPMH_MAP_CRACMM1(75) \n & / 'cubebene_a ', 75 / \n DATA MECH_NAM_CRACMM1(75 ) , MECH_MAP_CRACMM1( 75) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM1( 75) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 76) , SPMH_MAP_CRACMM1(76) \n & / 'cubebene_b ', 76 / \n DATA MECH_NAM_CRACMM1(76 ) , MECH_MAP_CRACMM1( 76) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM1( 76) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 77) , SPMH_MAP_CRACMM1(77) \n & / 'gurjunene_b ', 77 / \n DATA MECH_NAM_CRACMM1(77 ) , MECH_MAP_CRACMM1( 77) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM1( 77) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 78) , SPMH_MAP_CRACMM1(78) \n & / 'homosalate ', 78 / \n DATA MECH_NAM_CRACMM1(78 ) , MECH_MAP_CRACMM1( 78) \n & / 'VROCP1ALK ', 16 / \n DATA CONV_FAC_CRACMM1( 78) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 79) , SPMH_MAP_CRACMM1(79) \n & / 'isolongifolene ', 79 / \n DATA MECH_NAM_CRACMM1(79 ) , MECH_MAP_CRACMM1( 79) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM1( 79) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 80) , SPMH_MAP_CRACMM1(80) \n & / 'kaur_16_ene ', 80 / \n DATA MECH_NAM_CRACMM1(80 ) , MECH_MAP_CRACMM1( 80) \n & / 'VROCP5ARO ', 13 / \n DATA CONV_FAC_CRACMM1( 80) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 81) , SPMH_MAP_CRACMM1(81) \n & / 'longifolene ', 81 / \n DATA MECH_NAM_CRACMM1(81 ) , MECH_MAP_CRACMM1( 81) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM1( 81) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 82) , SPMH_MAP_CRACMM1(82) \n & / 'longipinene ', 82 / \n DATA MECH_NAM_CRACMM1(82 ) , MECH_MAP_CRACMM1( 82) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM1( 82) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 83) , SPMH_MAP_CRACMM1(83) \n & / 'thujopsene ', 83 / \n DATA MECH_NAM_CRACMM1(83 ) , MECH_MAP_CRACMM1( 83) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM1( 83) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 84) , SPMH_MAP_CRACMM1(84) \n & / 'ylangene_a ', 84 / \n DATA MECH_NAM_CRACMM1(84 ) , MECH_MAP_CRACMM1( 84) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM1( 84) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 85) , SPMH_MAP_CRACMM1(85) \n & / 'zingiberene_a ', 85 / \n DATA MECH_NAM_CRACMM1(85 ) , MECH_MAP_CRACMM1( 85) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM1( 85) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 86) , SPMH_MAP_CRACMM1(86) \n & / 'copaene_b ', 86 / \n DATA MECH_NAM_CRACMM1(86 ) , MECH_MAP_CRACMM1( 86) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM1( 86) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 87) , SPMH_MAP_CRACMM1(87) \n & / 'longicyclene ', 87 / \n DATA MECH_NAM_CRACMM1(87 ) , MECH_MAP_CRACMM1( 87) \n & / 'VROCP4ALK ', 17 / \n DATA CONV_FAC_CRACMM1( 87) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 88) , SPMH_MAP_CRACMM1(88) \n & / 'methanol ', 88 / \n DATA MECH_NAM_CRACMM1(88 ) , MECH_MAP_CRACMM1( 88) \n & / 'MOH ', 18 / \n DATA CONV_FAC_CRACMM1( 88) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 89) , SPMH_MAP_CRACMM1(89) \n & / 'acetone ', 89 / \n DATA MECH_NAM_CRACMM1(89 ) , MECH_MAP_CRACMM1( 89) \n & / 'ACT ', 19 / \n DATA CONV_FAC_CRACMM1( 89) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 90) , SPMH_MAP_CRACMM1(90) \n & / 'acetaldehyde ', 90 / \n DATA MECH_NAM_CRACMM1(90 ) , MECH_MAP_CRACMM1( 90) \n & / 'ACD ', 20 / \n DATA CONV_FAC_CRACMM1( 90) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 91) , SPMH_MAP_CRACMM1(91) \n & / 'ethanol ', 91 / \n DATA MECH_NAM_CRACMM1(91 ) , MECH_MAP_CRACMM1( 91) \n & / 'EOH ', 21 / \n DATA CONV_FAC_CRACMM1( 91) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 92) , SPMH_MAP_CRACMM1(92) \n & / 'acetic_acid ', 92 / \n DATA MECH_NAM_CRACMM1(92 ) , MECH_MAP_CRACMM1( 92) \n & / 'ORA2 ', 22 / \n DATA CONV_FAC_CRACMM1( 92) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 93) , SPMH_MAP_CRACMM1(93) \n & / 'formic_acid ', 93 / \n DATA MECH_NAM_CRACMM1(93 ) , MECH_MAP_CRACMM1( 93) \n & / 'ORA1 ', 23 / \n DATA CONV_FAC_CRACMM1( 93) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 94) , SPMH_MAP_CRACMM1(94) \n & / 'pyruvic_acid ', 94 / \n DATA MECH_NAM_CRACMM1(94 ) , MECH_MAP_CRACMM1( 94) \n & / 'KET ', 11 / \n DATA CONV_FAC_CRACMM1( 94) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 95) , SPMH_MAP_CRACMM1(95) \n & / '2_methylprop_1_ene ', 95 / \n DATA MECH_NAM_CRACMM1(95 ) , MECH_MAP_CRACMM1( 95) \n & / 'OLT ', 2 / \n DATA CONV_FAC_CRACMM1( 95) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 96) , SPMH_MAP_CRACMM1(96) \n & / 'butane ', 96 / \n DATA MECH_NAM_CRACMM1(96 ) , MECH_MAP_CRACMM1( 96) \n & / 'HC3 ', 5 / \n DATA CONV_FAC_CRACMM1( 96) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 97) , SPMH_MAP_CRACMM1(97) \n & / 'butene ', 97 / \n DATA MECH_NAM_CRACMM1(97 ) , MECH_MAP_CRACMM1( 97) \n & / 'OLT ', 2 / \n DATA CONV_FAC_CRACMM1( 97) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 98) , SPMH_MAP_CRACMM1(98) \n & / 'butene_c2 ', 98 / \n DATA MECH_NAM_CRACMM1(98 ) , MECH_MAP_CRACMM1( 98) \n & / 'OLI ', 24 / \n DATA CONV_FAC_CRACMM1( 98) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 99) , SPMH_MAP_CRACMM1(99) \n & / 'butene_t2 ', 99 / \n DATA MECH_NAM_CRACMM1(99 ) , MECH_MAP_CRACMM1( 99) \n & / 'OLI ', 24 / \n DATA CONV_FAC_CRACMM1( 99) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 100) , SPMH_MAP_CRACMM1(100) \n & / 'ethane ', 100 / \n DATA MECH_NAM_CRACMM1(100 ) , MECH_MAP_CRACMM1( 100) \n & / 'ETH ', 25 / \n DATA CONV_FAC_CRACMM1( 100) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 101) , SPMH_MAP_CRACMM1(101) \n & / 'ethene ', 101 / \n DATA MECH_NAM_CRACMM1(101 ) , MECH_MAP_CRACMM1( 101) \n & / 'ETE ', 26 / \n DATA CONV_FAC_CRACMM1( 101) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 102) , SPMH_MAP_CRACMM1(102) \n & / 'propane ', 102 / \n DATA MECH_NAM_CRACMM1(102 ) , MECH_MAP_CRACMM1( 102) \n & / 'HC3 ', 5 / \n DATA CONV_FAC_CRACMM1( 102) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 103) , SPMH_MAP_CRACMM1(103) \n & / 'propene ', 103 / \n DATA MECH_NAM_CRACMM1(103 ) , MECH_MAP_CRACMM1( 103) \n & / 'OLT ', 2 / \n DATA CONV_FAC_CRACMM1( 103) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 104) , SPMH_MAP_CRACMM1(104) \n & / 'decanal ', 104 / \n DATA MECH_NAM_CRACMM1(104 ) , MECH_MAP_CRACMM1( 104) \n & / 'VROCIOXY ', 10 / \n DATA CONV_FAC_CRACMM1( 104) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 105) , SPMH_MAP_CRACMM1(105) \n & / 'geranyl_acetone ', 105 / \n DATA MECH_NAM_CRACMM1(105 ) , MECH_MAP_CRACMM1( 105) \n & / 'VROCP6ARO ', 8 / \n DATA CONV_FAC_CRACMM1( 105) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 106) , SPMH_MAP_CRACMM1(106) \n & / 'met_heptenone ', 106 / \n DATA MECH_NAM_CRACMM1(106 ) , MECH_MAP_CRACMM1( 106) \n & / 'OLI ', 24 / \n DATA CONV_FAC_CRACMM1( 106) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 107) , SPMH_MAP_CRACMM1(107) \n & / 'neryl_acetone ', 107 / \n DATA MECH_NAM_CRACMM1(107 ) , MECH_MAP_CRACMM1( 107) \n & / 'VROCP6ARO ', 8 / \n DATA CONV_FAC_CRACMM1( 107) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 108) , SPMH_MAP_CRACMM1(108) \n & / 'nonanal ', 108 / \n DATA MECH_NAM_CRACMM1(108 ) , MECH_MAP_CRACMM1( 108) \n & / 'VROCIOXY ', 10 / \n DATA CONV_FAC_CRACMM1( 108) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 109) , SPMH_MAP_CRACMM1(109) \n & / 'nonenal ', 109 / \n DATA MECH_NAM_CRACMM1(109 ) , MECH_MAP_CRACMM1( 109) \n & / 'VROCP6ARO ', 8 / \n DATA CONV_FAC_CRACMM1( 109) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 110) , SPMH_MAP_CRACMM1(110) \n & / 'octanal ', 110 / \n DATA MECH_NAM_CRACMM1(110 ) , MECH_MAP_CRACMM1( 110) \n & / 'ALD ', 27 / \n DATA CONV_FAC_CRACMM1( 110) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 111) , SPMH_MAP_CRACMM1(111) \n & / 'pentanal ', 111 / \n DATA MECH_NAM_CRACMM1(111 ) , MECH_MAP_CRACMM1( 111) \n & / 'ALD ', 27 / \n DATA CONV_FAC_CRACMM1( 111) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 112) , SPMH_MAP_CRACMM1(112) \n & / 't-2-octenal ', 112 / \n DATA MECH_NAM_CRACMM1(112 ) , MECH_MAP_CRACMM1( 112) \n & / 'UALD ', 28 / \n DATA CONV_FAC_CRACMM1( 112) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 113) , SPMH_MAP_CRACMM1(113) \n & / 'formaldehyde ', 113 / \n DATA MECH_NAM_CRACMM1(113 ) , MECH_MAP_CRACMM1( 113) \n & / 'HCHO ', 29 / \n DATA CONV_FAC_CRACMM1( 113) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 114) , SPMH_MAP_CRACMM1(114) \n & / 'oxopentanal ', 114 / \n DATA MECH_NAM_CRACMM1(114 ) , MECH_MAP_CRACMM1( 114) \n & / 'MGLY ', 30 / \n DATA CONV_FAC_CRACMM1( 114) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 115) , SPMH_MAP_CRACMM1(115) \n & / '1_pentanol ', 115 / \n DATA MECH_NAM_CRACMM1(115 ) , MECH_MAP_CRACMM1( 115) \n & / 'ROH ', 31 / \n DATA CONV_FAC_CRACMM1( 115) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 116) , SPMH_MAP_CRACMM1(116) \n & / '1_penten_3_one ', 116 / \n DATA MECH_NAM_CRACMM1(116 ) , MECH_MAP_CRACMM1( 116) \n & / 'OLT ', 2 / \n DATA CONV_FAC_CRACMM1( 116) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 117) , SPMH_MAP_CRACMM1(117) \n & / '2_met_butanenitrile ', 117 / \n DATA MECH_NAM_CRACMM1(117 ) , MECH_MAP_CRACMM1( 117) \n & / 'HC3 ', 5 / \n DATA CONV_FAC_CRACMM1( 117) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 118) , SPMH_MAP_CRACMM1(118) \n & / '2_pentene ', 118 / \n DATA MECH_NAM_CRACMM1(118 ) , MECH_MAP_CRACMM1( 118) \n & / 'OLI ', 24 / \n DATA CONV_FAC_CRACMM1( 118) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 119) , SPMH_MAP_CRACMM1(119) \n & / '3_metfuran ', 119 / \n DATA MECH_NAM_CRACMM1(119 ) , MECH_MAP_CRACMM1( 119) \n & / 'FURAN ', 6 / \n DATA CONV_FAC_CRACMM1( 119) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 120) , SPMH_MAP_CRACMM1(120) \n & / '3_metthiophene ', 120 / \n DATA MECH_NAM_CRACMM1(120 ) , MECH_MAP_CRACMM1( 120) \n & / 'FURAN ', 6 / \n DATA CONV_FAC_CRACMM1( 120) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 121) , SPMH_MAP_CRACMM1(121) \n & / '3_pentanone ', 121 / \n DATA MECH_NAM_CRACMM1(121 ) , MECH_MAP_CRACMM1( 121) \n & / 'KET ', 11 / \n DATA CONV_FAC_CRACMM1( 121) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 122) , SPMH_MAP_CRACMM1(122) \n & / '3_penten_2_ol ', 122 / \n DATA MECH_NAM_CRACMM1(122 ) , MECH_MAP_CRACMM1( 122) \n & / 'OLI ', 24 / \n DATA CONV_FAC_CRACMM1( 122) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 123) , SPMH_MAP_CRACMM1(123) \n & / '4_penten_1_ol ', 123 / \n DATA MECH_NAM_CRACMM1(123 ) , MECH_MAP_CRACMM1( 123) \n & / 'OLT ', 2 / \n DATA CONV_FAC_CRACMM1( 123) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 124) , SPMH_MAP_CRACMM1(124) \n & / '8_heptadecene ', 124 / \n DATA MECH_NAM_CRACMM1(124 ) , MECH_MAP_CRACMM1( 124) \n & / 'VROCP5ARO ', 13 / \n DATA CONV_FAC_CRACMM1( 124) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 125) , SPMH_MAP_CRACMM1(125) \n & / 'acetophenone ', 125 / \n DATA MECH_NAM_CRACMM1(125 ) , MECH_MAP_CRACMM1( 125) \n & / 'VROCP6ARO ', 8 / \n DATA CONV_FAC_CRACMM1( 125) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 126) , SPMH_MAP_CRACMM1(126) \n & / 'anisole ', 126 / \n DATA MECH_NAM_CRACMM1(126 ) , MECH_MAP_CRACMM1( 126) \n & / 'XYM ', 9 / \n DATA CONV_FAC_CRACMM1( 126) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 127) , SPMH_MAP_CRACMM1(127) \n & / 'benzaldehyde ', 127 / \n DATA MECH_NAM_CRACMM1(127 ) , MECH_MAP_CRACMM1( 127) \n & / 'BALD ', 32 / \n DATA CONV_FAC_CRACMM1( 127) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 128) , SPMH_MAP_CRACMM1(128) \n & / 'benzene ', 128 / \n DATA MECH_NAM_CRACMM1(128 ) , MECH_MAP_CRACMM1( 128) \n & / 'BEN ', 33 / \n DATA CONV_FAC_CRACMM1( 128) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 129) , SPMH_MAP_CRACMM1(129) \n & / 'benzyl_benzoate ', 129 / \n DATA MECH_NAM_CRACMM1(129 ) , MECH_MAP_CRACMM1( 129) \n & / 'VROCP5ARO ', 13 / \n DATA CONV_FAC_CRACMM1( 129) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 130) , SPMH_MAP_CRACMM1(130) \n & / 'benzyl_acetate ', 130 / \n DATA MECH_NAM_CRACMM1(130 ) , MECH_MAP_CRACMM1( 130) \n & / 'VROCP6ARO ', 8 / \n DATA CONV_FAC_CRACMM1( 130) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 131) , SPMH_MAP_CRACMM1(131) \n & / 'benzyl_alcohol ', 131 / \n DATA MECH_NAM_CRACMM1(131 ) , MECH_MAP_CRACMM1( 131) \n & / 'CSL ', 34 / \n DATA CONV_FAC_CRACMM1( 131) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 132) , SPMH_MAP_CRACMM1(132) \n & / 'chavicol ', 132 / \n DATA MECH_NAM_CRACMM1(132 ) , MECH_MAP_CRACMM1( 132) \n & / 'CSL ', 34 / \n DATA CONV_FAC_CRACMM1( 132) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 133) , SPMH_MAP_CRACMM1(133) \n & / 'cineole_1_8 ', 133 / \n DATA MECH_NAM_CRACMM1(133 ) , MECH_MAP_CRACMM1( 133) \n & / 'HC10 ', 35 / \n DATA CONV_FAC_CRACMM1( 133) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 134) , SPMH_MAP_CRACMM1(134) \n & / 'cinnamaldehyde ', 134 / \n DATA MECH_NAM_CRACMM1(134 ) , MECH_MAP_CRACMM1( 134) \n & / 'BALD ', 32 / \n DATA CONV_FAC_CRACMM1( 134) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 135) , SPMH_MAP_CRACMM1(135) \n & / 'cinnamic_acid ', 135 / \n DATA MECH_NAM_CRACMM1(135 ) , MECH_MAP_CRACMM1( 135) \n & / 'VROCP2ALK ', 14 / \n DATA CONV_FAC_CRACMM1( 135) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 136) , SPMH_MAP_CRACMM1(136) \n & / 'coniferyl_alcohol ', 136 / \n DATA MECH_NAM_CRACMM1(136 ) , MECH_MAP_CRACMM1( 136) \n & / 'VROCP1ALK ', 16 / \n DATA CONV_FAC_CRACMM1( 136) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 137) , SPMH_MAP_CRACMM1(137) \n & / '2met_nonatriene ', 137 / \n DATA MECH_NAM_CRACMM1(137 ) , MECH_MAP_CRACMM1( 137) \n & / 'FURAN ', 6 / \n DATA CONV_FAC_CRACMM1( 137) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 138) , SPMH_MAP_CRACMM1(138) \n & / 'ethyl_cinnamate ', 138 / \n DATA MECH_NAM_CRACMM1(138 ) , MECH_MAP_CRACMM1( 138) \n & / 'VROCP5ARO ', 13 / \n DATA CONV_FAC_CRACMM1( 138) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 139) , SPMH_MAP_CRACMM1(139) \n & / 'eugenol ', 139 / \n DATA MECH_NAM_CRACMM1(139 ) , MECH_MAP_CRACMM1( 139) \n & / 'CSL ', 34 / \n DATA CONV_FAC_CRACMM1( 139) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 140) , SPMH_MAP_CRACMM1(140) \n & / 'guaiacol ', 140 / \n DATA MECH_NAM_CRACMM1(140 ) , MECH_MAP_CRACMM1( 140) \n & / 'CSL ', 34 / \n DATA CONV_FAC_CRACMM1( 140) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 141) , SPMH_MAP_CRACMM1(141) \n & / 'hexanal ', 141 / \n DATA MECH_NAM_CRACMM1(141 ) , MECH_MAP_CRACMM1( 141) \n & / 'ALD ', 27 / \n DATA CONV_FAC_CRACMM1( 141) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 142) , SPMH_MAP_CRACMM1(142) \n & / 'hexanol_1 ', 142 / \n DATA MECH_NAM_CRACMM1(142 ) , MECH_MAP_CRACMM1( 142) \n & / 'OLI ', 24 / \n DATA CONV_FAC_CRACMM1( 142) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 143) , SPMH_MAP_CRACMM1(143) \n & / 'hexenal_c3 ', 143 / \n DATA MECH_NAM_CRACMM1(143 ) , MECH_MAP_CRACMM1( 143) \n & / 'UALD ', 28 / \n DATA CONV_FAC_CRACMM1( 143) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 144) , SPMH_MAP_CRACMM1(144) \n & / 'hexenal_t2 ', 144 / \n DATA MECH_NAM_CRACMM1(144 ) , MECH_MAP_CRACMM1( 144) \n & / 'UALD ', 28 / \n DATA CONV_FAC_CRACMM1( 144) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 145) , SPMH_MAP_CRACMM1(145) \n & / 'hexenol_c3 ', 145 / \n DATA MECH_NAM_CRACMM1(145 ) , MECH_MAP_CRACMM1( 145) \n & / 'OLI ', 24 / \n DATA CONV_FAC_CRACMM1( 145) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 146) , SPMH_MAP_CRACMM1(146) \n & / 'hexenyl_ACT_c3 ', 146 / \n DATA MECH_NAM_CRACMM1(146 ) , MECH_MAP_CRACMM1( 146) \n & / 'OLI ', 24 / \n DATA CONV_FAC_CRACMM1( 146) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 147) , SPMH_MAP_CRACMM1(147) \n & / 'hydrogen_cyanide ', 147 / \n DATA MECH_NAM_CRACMM1(147 ) , MECH_MAP_CRACMM1( 147) \n & / 'SLOWROC ', 36 / \n DATA CONV_FAC_CRACMM1( 147) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 148) , SPMH_MAP_CRACMM1(148) \n & / 'isobutyronitrile ', 148 / \n DATA MECH_NAM_CRACMM1(148 ) , MECH_MAP_CRACMM1( 148) \n & / 'SLOWROC ', 36 / \n DATA CONV_FAC_CRACMM1( 148) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 149) , SPMH_MAP_CRACMM1(149) \n & / 'jasmone ', 149 / \n DATA MECH_NAM_CRACMM1(149 ) , MECH_MAP_CRACMM1( 149) \n & / 'VROCP6ARO ', 8 / \n DATA CONV_FAC_CRACMM1( 149) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 150) , SPMH_MAP_CRACMM1(150) \n & / 'linalool ', 150 / \n DATA MECH_NAM_CRACMM1(150 ) , MECH_MAP_CRACMM1( 150) \n & / 'LIM ', 4 / \n DATA CONV_FAC_CRACMM1( 150) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 151) , SPMH_MAP_CRACMM1(151) \n & / 'linalool_OXD_c ', 151 / \n DATA MECH_NAM_CRACMM1(151 ) , MECH_MAP_CRACMM1( 151) \n & / 'VROCP5ARO ', 13 / \n DATA CONV_FAC_CRACMM1( 151) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 152) , SPMH_MAP_CRACMM1(152) \n & / 'linalool_OXD_t ', 152 / \n DATA MECH_NAM_CRACMM1(152 ) , MECH_MAP_CRACMM1( 152) \n & / 'VROCP5ARO ', 13 / \n DATA CONV_FAC_CRACMM1( 152) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 153) , SPMH_MAP_CRACMM1(153) \n & / 'methacrolein ', 153 / \n DATA MECH_NAM_CRACMM1(153 ) , MECH_MAP_CRACMM1( 153) \n & / 'MACR ', 37 / \n DATA CONV_FAC_CRACMM1( 153) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 154) , SPMH_MAP_CRACMM1(154) \n & / 'met_benzoate ', 154 / \n DATA MECH_NAM_CRACMM1(154 ) , MECH_MAP_CRACMM1( 154) \n & / 'VROCP6ARO ', 8 / \n DATA CONV_FAC_CRACMM1( 154) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 155) , SPMH_MAP_CRACMM1(155) \n & / 'met_jasmonate ', 155 / \n DATA MECH_NAM_CRACMM1(155 ) , MECH_MAP_CRACMM1( 155) \n & / 'VROCP5ARO ', 13 / \n DATA CONV_FAC_CRACMM1( 155) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 156) , SPMH_MAP_CRACMM1(156) \n & / 'met_salicylate ', 156 / \n DATA MECH_NAM_CRACMM1(156 ) , MECH_MAP_CRACMM1( 156) \n & / 'CSL ', 34 / \n DATA CONV_FAC_CRACMM1( 156) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 157) , SPMH_MAP_CRACMM1(157) \n & / 'met_acetate ', 157 / \n DATA MECH_NAM_CRACMM1(157 ) , MECH_MAP_CRACMM1( 157) \n & / 'SLOWROC ', 36 / \n DATA CONV_FAC_CRACMM1( 157) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 158) , SPMH_MAP_CRACMM1(158) \n & / 'met_vinylketone ', 158 / \n DATA MECH_NAM_CRACMM1(158 ) , MECH_MAP_CRACMM1( 158) \n & / 'MVK ', 38 / \n DATA CONV_FAC_CRACMM1( 158) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 159) , SPMH_MAP_CRACMM1(159) \n & / 'p_coumaric_acid ', 159 / \n DATA MECH_NAM_CRACMM1(159 ) , MECH_MAP_CRACMM1( 159) \n & / 'VROCP1ALK ', 16 / \n DATA CONV_FAC_CRACMM1( 159) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 160) , SPMH_MAP_CRACMM1(160) \n & / 'phenol ', 160 / \n DATA MECH_NAM_CRACMM1(160 ) , MECH_MAP_CRACMM1( 160) \n & / 'PHEN ', 39 / \n DATA CONV_FAC_CRACMM1( 160) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 161) , SPMH_MAP_CRACMM1(161) \n & / 'phenylacetaldehyde ', 161 / \n DATA MECH_NAM_CRACMM1(161 ) , MECH_MAP_CRACMM1( 161) \n & / 'BALD ', 32 / \n DATA CONV_FAC_CRACMM1( 161) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 162) , SPMH_MAP_CRACMM1(162) \n & / 'safrole ', 162 / \n DATA MECH_NAM_CRACMM1(162 ) , MECH_MAP_CRACMM1( 162) \n & / 'VROCP5ARO ', 13 / \n DATA CONV_FAC_CRACMM1( 162) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 163) , SPMH_MAP_CRACMM1(163) \n & / 'salicylaldehyde ', 163 / \n DATA MECH_NAM_CRACMM1(163 ) , MECH_MAP_CRACMM1( 163) \n & / 'BALD ', 32 / \n DATA CONV_FAC_CRACMM1( 163) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 164) , SPMH_MAP_CRACMM1(164) \n & / 'toluene ', 164 / \n DATA MECH_NAM_CRACMM1(164 ) , MECH_MAP_CRACMM1( 164) \n & / 'TOL ', 40 / \n DATA CONV_FAC_CRACMM1( 164) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 165) , SPMH_MAP_CRACMM1(165) \n & / '3met_3DCTT ', 165 / \n DATA MECH_NAM_CRACMM1(165 ) , MECH_MAP_CRACMM1( 165) \n & / 'FURAN ', 6 / \n DATA CONV_FAC_CRACMM1( 165) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 166) , SPMH_MAP_CRACMM1(166) \n & / 'xylene ', 166 / \n DATA MECH_NAM_CRACMM1(166 ) , MECH_MAP_CRACMM1( 166) \n & / 'XYM ', 9 / \n DATA CONV_FAC_CRACMM1( 166) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 167) , SPMH_MAP_CRACMM1(167) \n & / 'z2_penten_1ol ', 167 / \n DATA MECH_NAM_CRACMM1(167 ) , MECH_MAP_CRACMM1( 167) \n & / 'OLI ', 24 / \n DATA CONV_FAC_CRACMM1( 167) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 168) , SPMH_MAP_CRACMM1(168) \n & / 'z2_penten_3ol ', 168 / \n DATA MECH_NAM_CRACMM1(168 ) , MECH_MAP_CRACMM1( 168) \n & / 'OLI ', 24 / \n DATA CONV_FAC_CRACMM1( 168) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 169) , SPMH_MAP_CRACMM1(169) \n & / 'z3_hexen_1yl_butyrate ', 169 / \n DATA MECH_NAM_CRACMM1(169 ) , MECH_MAP_CRACMM1( 169) \n & / 'VROCP6ARO ', 8 / \n DATA CONV_FAC_CRACMM1( 169) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 170) , SPMH_MAP_CRACMM1(170) \n & / 'butanone_2 ', 170 / \n DATA MECH_NAM_CRACMM1(170 ) , MECH_MAP_CRACMM1( 170) \n & / 'MEK ', 41 / \n DATA CONV_FAC_CRACMM1( 170) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 171) , SPMH_MAP_CRACMM1(171) \n & / 'carbon_2s ', 171 / \n DATA MECH_NAM_CRACMM1(171 ) , MECH_MAP_CRACMM1( 171) \n & / 'SLOWROC ', 36 / \n DATA CONV_FAC_CRACMM1( 171) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 172) , SPMH_MAP_CRACMM1(172) \n & / 'carbonyl_s ', 172 / \n DATA MECH_NAM_CRACMM1(172 ) , MECH_MAP_CRACMM1( 172) \n & / 'SLOWROC ', 36 / \n DATA CONV_FAC_CRACMM1( 172) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 173) , SPMH_MAP_CRACMM1(173) \n & / 'decane ', 173 / \n DATA MECH_NAM_CRACMM1(173 ) , MECH_MAP_CRACMM1( 173) \n & / 'HC10 ', 35 / \n DATA CONV_FAC_CRACMM1( 173) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 174) , SPMH_MAP_CRACMM1(174) \n & / 'diallyl_2s ', 174 / \n DATA MECH_NAM_CRACMM1(174 ) , MECH_MAP_CRACMM1( 174) \n & / 'VROCP6ARO ', 8 / \n DATA CONV_FAC_CRACMM1( 174) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 175) , SPMH_MAP_CRACMM1(175) \n & / '2met_2s ', 175 / \n DATA MECH_NAM_CRACMM1(175 ) , MECH_MAP_CRACMM1( 175) \n & / 'HC10 ', 35 / \n DATA CONV_FAC_CRACMM1( 175) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 176) , SPMH_MAP_CRACMM1(176) \n & / '2met_s ', 176 / \n DATA MECH_NAM_CRACMM1(176 ) , MECH_MAP_CRACMM1( 176) \n & / 'HC5 ', 42 / \n DATA CONV_FAC_CRACMM1( 176) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 177) , SPMH_MAP_CRACMM1(177) \n & / 'dodecene_1 ', 177 / \n DATA MECH_NAM_CRACMM1(177 ) , MECH_MAP_CRACMM1( 177) \n & / 'VROCP6ARO ', 8 / \n DATA CONV_FAC_CRACMM1( 177) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 178) , SPMH_MAP_CRACMM1(178) \n & / 'heptanal ', 178 / \n DATA MECH_NAM_CRACMM1(178 ) , MECH_MAP_CRACMM1( 178) \n & / 'ALD ', 27 / \n DATA CONV_FAC_CRACMM1( 178) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 179) , SPMH_MAP_CRACMM1(179) \n & / 'heptane ', 179 / \n DATA MECH_NAM_CRACMM1(179 ) , MECH_MAP_CRACMM1( 179) \n & / 'HC10 ', 35 / \n DATA CONV_FAC_CRACMM1( 179) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 180) , SPMH_MAP_CRACMM1(180) \n & / 'heptanone ', 180 / \n DATA MECH_NAM_CRACMM1(180 ) , MECH_MAP_CRACMM1( 180) \n & / 'KET ', 11 / \n DATA CONV_FAC_CRACMM1( 180) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 181) , SPMH_MAP_CRACMM1(181) \n & / 'hexane ', 181 / \n DATA MECH_NAM_CRACMM1(181 ) , MECH_MAP_CRACMM1( 181) \n & / 'HC5 ', 42 / \n DATA CONV_FAC_CRACMM1( 181) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 182) , SPMH_MAP_CRACMM1(182) \n & / 'indole ', 183 / \n DATA MECH_NAM_CRACMM1(182 ) , MECH_MAP_CRACMM1( 182) \n & / 'VROCP5ARO ', 13 / \n DATA CONV_FAC_CRACMM1( 182) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 183) , SPMH_MAP_CRACMM1(183) \n & / 'methane ', 184 / \n DATA MECH_NAM_CRACMM1(183 ) , MECH_MAP_CRACMM1( 183) \n & / 'ECH4 ', 44 / \n DATA CONV_FAC_CRACMM1( 183) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 184) , SPMH_MAP_CRACMM1(184) \n & / 'met_bromide ', 185 / \n DATA MECH_NAM_CRACMM1(184 ) , MECH_MAP_CRACMM1( 184) \n & / 'SLOWROC ', 36 / \n DATA CONV_FAC_CRACMM1( 184) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 185) , SPMH_MAP_CRACMM1(185) \n & / 'met_chloride ', 186 / \n DATA MECH_NAM_CRACMM1(185 ) , MECH_MAP_CRACMM1( 185) \n & / 'SLOWROC ', 36 / \n DATA CONV_FAC_CRACMM1( 185) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 186) , SPMH_MAP_CRACMM1(186) \n & / 'met_iodide ', 187 / \n DATA MECH_NAM_CRACMM1(186 ) , MECH_MAP_CRACMM1( 186) \n & / 'SLOWROC ', 36 / \n DATA CONV_FAC_CRACMM1( 186) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 187) , SPMH_MAP_CRACMM1(187) \n & / 'met_mercaptan ', 188 / \n DATA MECH_NAM_CRACMM1(187 ) , MECH_MAP_CRACMM1( 187) \n & / 'HC10 ', 35 / \n DATA CONV_FAC_CRACMM1( 187) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 188) , SPMH_MAP_CRACMM1(188) \n & / 'met_propenyl_2s ', 189 / \n DATA MECH_NAM_CRACMM1(188 ) , MECH_MAP_CRACMM1( 188) \n & / 'OLI ', 24 / \n DATA CONV_FAC_CRACMM1( 188) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 189) , SPMH_MAP_CRACMM1(189) \n & / 'MBO_3m2e1ol ', 190 / \n DATA MECH_NAM_CRACMM1(189 ) , MECH_MAP_CRACMM1( 189) \n & / 'OLI ', 24 / \n DATA CONV_FAC_CRACMM1( 189) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 190) , SPMH_MAP_CRACMM1(190) \n & / 'MBO_3m3e1ol ', 191 / \n DATA MECH_NAM_CRACMM1(190 ) , MECH_MAP_CRACMM1( 190) \n & / 'OLI ', 24 / \n DATA CONV_FAC_CRACMM1( 190) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 191) , SPMH_MAP_CRACMM1(191) \n & / 'naphthalene ', 192 / \n DATA MECH_NAM_CRACMM1(191 ) , MECH_MAP_CRACMM1( 191) \n & / 'NAPH ', 45 / \n DATA CONV_FAC_CRACMM1( 191) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 192) , SPMH_MAP_CRACMM1(192) \n & / 'pentane ', 193 / \n DATA MECH_NAM_CRACMM1(192 ) , MECH_MAP_CRACMM1( 192) \n & / 'HC5 ', 42 / \n DATA CONV_FAC_CRACMM1( 192) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 193) , SPMH_MAP_CRACMM1(193) \n & / 'PPPP_2s ', 194 / \n DATA MECH_NAM_CRACMM1(193 ) , MECH_MAP_CRACMM1( 193) \n & / 'VROCP6ARO ', 8 / \n DATA CONV_FAC_CRACMM1( 193) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 194) , SPMH_MAP_CRACMM1(194) \n & / 'santene ', 195 / \n DATA MECH_NAM_CRACMM1(194 ) , MECH_MAP_CRACMM1( 194) \n & / 'OLI ', 24 / \n DATA CONV_FAC_CRACMM1( 194) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 195) , SPMH_MAP_CRACMM1(195) \n & / 'skatole ', 196 / \n DATA MECH_NAM_CRACMM1(195 ) , MECH_MAP_CRACMM1( 195) \n & / 'VROCP5ARO ', 13 / \n DATA CONV_FAC_CRACMM1( 195) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 196) , SPMH_MAP_CRACMM1(196) \n & / 'terpinyl_ACT_a ', 197 / \n DATA MECH_NAM_CRACMM1(196 ) , MECH_MAP_CRACMM1( 196) \n & / 'VROCP6ARO ', 8 / \n DATA CONV_FAC_CRACMM1( 196) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 197) , SPMH_MAP_CRACMM1(197) \n & / 'tetradecene_1 ', 198 / \n DATA MECH_NAM_CRACMM1(197 ) , MECH_MAP_CRACMM1( 197) \n & / 'VROCP5ARO ', 13 / \n DATA CONV_FAC_CRACMM1( 197) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 198) , SPMH_MAP_CRACMM1(198) \n & / 'undecane ', 199 / \n DATA MECH_NAM_CRACMM1(198 ) , MECH_MAP_CRACMM1( 198) \n & / 'HC10 ', 35 / \n DATA CONV_FAC_CRACMM1( 198) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 199) , SPMH_MAP_CRACMM1(199) \n & / 'carbon_monoxide ', 200 / \n DATA MECH_NAM_CRACMM1(199 ) , MECH_MAP_CRACMM1( 199) \n & / 'CO ', 46 / \n DATA CONV_FAC_CRACMM1( 199) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM1( 200) , SPMH_MAP_CRACMM1(200) \n & / 'nitric_OXD ', 201 / \n DATA MECH_NAM_CRACMM1(200 ) , MECH_MAP_CRACMM1( 200) \n & / 'NO ', 43 / \n DATA CONV_FAC_CRACMM1( 200) \n & / 1 /\n" }, { "path": "CCTM/src/biog/megan3/MAP_CV2CRACMM2.EXT", "content": "C=======================================================================\nC MAP_CV2CRACMM2.EXT\nC This include file contains conversion table for 201 speciated species\nC to CRACMM2 (CMAQ) species\nC\nC MEGAN v3\nC\nC History:\nC Who When What\nC ---------------------------------------------------------------------\nC Jeff Willison 05/17/2022 - Created for MEGANv3.2 in CMAQ\nC=======================================================================\n\n CHARACTER*16 MAP_CRACMM2MECH\n PARAMETER (MAP_CRACMM2MECH = 'CRACMM2 ')\n\n INTEGER N_CRACMM2\n PARAMETER (N_CRACMM2 = (200)) ! Number of map species\n\n CHARACTER*16 SPMH_NAM_CRACMM2( N_CRACMM2 ) ! speciated species name\n INTEGER SPMH_MAP_CRACMM2( N_CRACMM2 ) ! speciated species index\n ! mapped to SPC_NOCONVER.EXT\n CHARACTER*16 MECH_NAM_CRACMM2( N_CRACMM2 ) ! mechanism species\n INTEGER MECH_MAP_CRACMM2( N_CRACMM2 ) ! mechanism species mapped\n\n REAL CONV_FAC_CRACMM2( N_CRACMM2 ) ! conversion factor\n\n\n DATA SPMH_NAM_CRACMM2( 1) , SPMH_MAP_CRACMM2(1) \n & / 'isoprene ', 1 / \n DATA MECH_NAM_CRACMM2(1 ) , MECH_MAP_CRACMM2( 1) \n & / 'ISO ', 1 / \n DATA CONV_FAC_CRACMM2( 1) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 2) , SPMH_MAP_CRACMM2(2) \n & / 'MBO_2m3e2ol ', 2 / \n DATA MECH_NAM_CRACMM2(2 ) , MECH_MAP_CRACMM2( 2) \n & / 'OLT ', 2 / \n DATA CONV_FAC_CRACMM2( 2) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 3) , SPMH_MAP_CRACMM2(3) \n & / 'pinene_a ', 3 / \n DATA MECH_NAM_CRACMM2(3 ) , MECH_MAP_CRACMM2( 3) \n & / 'API ', 3 / \n DATA CONV_FAC_CRACMM2( 3) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 4) , SPMH_MAP_CRACMM2(4) \n & / 'pinene_b ', 4 / \n DATA MECH_NAM_CRACMM2(4 ) , MECH_MAP_CRACMM2( 4) \n & / 'API ', 3 / \n DATA CONV_FAC_CRACMM2( 4) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 5) , SPMH_MAP_CRACMM2(5) \n & / 'myrcene ', 5 / \n DATA MECH_NAM_CRACMM2(5 ) , MECH_MAP_CRACMM2( 5) \n & / 'LIM ', 4 / \n DATA CONV_FAC_CRACMM2( 5) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 6) , SPMH_MAP_CRACMM2(6) \n & / 'ocimene_al ', 6 / \n DATA MECH_NAM_CRACMM2(6 ) , MECH_MAP_CRACMM2( 6) \n & / 'LIM ', 4 / \n DATA CONV_FAC_CRACMM2( 6) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 7) , SPMH_MAP_CRACMM2(7) \n & / 'ocimene_c_b ', 7 / \n DATA MECH_NAM_CRACMM2(7 ) , MECH_MAP_CRACMM2( 7) \n & / 'LIM ', 4 / \n DATA CONV_FAC_CRACMM2( 7) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 8) , SPMH_MAP_CRACMM2(8) \n & / 'ocimene_t_b ', 8 / \n DATA MECH_NAM_CRACMM2(8 ) , MECH_MAP_CRACMM2( 8) \n & / 'LIM ', 4 / \n DATA CONV_FAC_CRACMM2( 8) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 9) , SPMH_MAP_CRACMM2(9) \n & / 'bornene ', 9 / \n DATA MECH_NAM_CRACMM2(9 ) , MECH_MAP_CRACMM2( 9) \n & / 'API ', 3 / \n DATA CONV_FAC_CRACMM2( 9) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 10) , SPMH_MAP_CRACMM2(10) \n & / 'camphene ', 10 / \n DATA MECH_NAM_CRACMM2(10 ) , MECH_MAP_CRACMM2( 10) \n & / 'API ', 3 / \n DATA CONV_FAC_CRACMM2( 10) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 11) , SPMH_MAP_CRACMM2(11) \n & / 'carene_3 ', 11 / \n DATA MECH_NAM_CRACMM2(11 ) , MECH_MAP_CRACMM2( 11) \n & / 'API ', 3 / \n DATA CONV_FAC_CRACMM2( 11) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 12) , SPMH_MAP_CRACMM2(12) \n & / 'fenchene_a ', 12 / \n DATA MECH_NAM_CRACMM2(12 ) , MECH_MAP_CRACMM2( 12) \n & / 'API ', 3 / \n DATA CONV_FAC_CRACMM2( 12) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 13) , SPMH_MAP_CRACMM2(13) \n & / 'fenchene_b ', 13 / \n DATA MECH_NAM_CRACMM2(13 ) , MECH_MAP_CRACMM2( 13) \n & / 'API ', 3 / \n DATA CONV_FAC_CRACMM2( 13) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 14) , SPMH_MAP_CRACMM2(14) \n & / 'tricyclene ', 14 / \n DATA MECH_NAM_CRACMM2(14 ) , MECH_MAP_CRACMM2( 14) \n & / 'HC3 ', 5 / \n DATA CONV_FAC_CRACMM2( 14) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 15) , SPMH_MAP_CRACMM2(15) \n & / 'limonene ', 15 / \n DATA MECH_NAM_CRACMM2(15 ) , MECH_MAP_CRACMM2( 15) \n & / 'LIM ', 4 / \n DATA CONV_FAC_CRACMM2( 15) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 16) , SPMH_MAP_CRACMM2(16) \n & / 'phellandrene_b ', 16 / \n DATA MECH_NAM_CRACMM2(16 ) , MECH_MAP_CRACMM2( 16) \n & / 'LIM ', 4 / \n DATA CONV_FAC_CRACMM2( 16) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 17) , SPMH_MAP_CRACMM2(17) \n & / 'phellandrene_a ', 17 / \n DATA MECH_NAM_CRACMM2(17 ) , MECH_MAP_CRACMM2( 17) \n & / 'LIM ', 4 / \n DATA CONV_FAC_CRACMM2( 17) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 18) , SPMH_MAP_CRACMM2(18) \n & / 'sabinene ', 18 / \n DATA MECH_NAM_CRACMM2(18 ) , MECH_MAP_CRACMM2( 18) \n & / 'API ', 3 / \n DATA CONV_FAC_CRACMM2( 18) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 19) , SPMH_MAP_CRACMM2(19) \n & / 'terpinene_a ', 19 / \n DATA MECH_NAM_CRACMM2(19 ) , MECH_MAP_CRACMM2( 19) \n & / 'LIM ', 4 / \n DATA CONV_FAC_CRACMM2( 19) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 20) , SPMH_MAP_CRACMM2(20) \n & / 'terpinene_g ', 20 / \n DATA MECH_NAM_CRACMM2(20 ) , MECH_MAP_CRACMM2( 20) \n & / 'LIM ', 4 / \n DATA CONV_FAC_CRACMM2( 20) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 21) , SPMH_MAP_CRACMM2(21) \n & / 'terpinolene ', 21 / \n DATA MECH_NAM_CRACMM2(21 ) , MECH_MAP_CRACMM2( 21) \n & / 'LIM ', 4 / \n DATA CONV_FAC_CRACMM2( 21) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 22) , SPMH_MAP_CRACMM2(22) \n & / 'thujene_a ', 22 / \n DATA MECH_NAM_CRACMM2(22 ) , MECH_MAP_CRACMM2( 22) \n & / 'API ', 3 / \n DATA CONV_FAC_CRACMM2( 22) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 23) , SPMH_MAP_CRACMM2(23) \n & / 'verbenene ', 23 / \n DATA MECH_NAM_CRACMM2(23 ) , MECH_MAP_CRACMM2( 23) \n & / 'FURAN ', 6 / \n DATA CONV_FAC_CRACMM2( 23) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 24) , SPMH_MAP_CRACMM2(24) \n & / 'cymene_o ', 24 / \n DATA MECH_NAM_CRACMM2(24 ) , MECH_MAP_CRACMM2( 24) \n & / 'XYL ', 7 / \n DATA CONV_FAC_CRACMM2( 24) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 25) , SPMH_MAP_CRACMM2(25) \n & / 'cymene_p ', 25 / \n DATA MECH_NAM_CRACMM2(25 ) , MECH_MAP_CRACMM2( 25) \n & / 'VROCP6ARO ', 8 / \n DATA CONV_FAC_CRACMM2( 25) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 26) , SPMH_MAP_CRACMM2(26) \n & / 'meta-cymenene ', 26 / \n DATA MECH_NAM_CRACMM2(26 ) , MECH_MAP_CRACMM2( 26) \n & / 'XYL ', 7 / \n DATA CONV_FAC_CRACMM2( 26) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 27) , SPMH_MAP_CRACMM2(27) \n & / 'p-cymenene ', 27 / \n DATA MECH_NAM_CRACMM2(27 ) , MECH_MAP_CRACMM2( 27) \n & / 'XYL ', 7 / \n DATA CONV_FAC_CRACMM2( 27) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 28) , SPMH_MAP_CRACMM2(28) \n & / 'borneol ', 28 / \n DATA MECH_NAM_CRACMM2(28 ) , MECH_MAP_CRACMM2( 28) \n & / 'VROCIOXY ', 10 / \n DATA CONV_FAC_CRACMM2( 28) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 29) , SPMH_MAP_CRACMM2(29) \n & / 'bornyl_ACT ', 29 / \n DATA MECH_NAM_CRACMM2(29 ) , MECH_MAP_CRACMM2( 29) \n & / 'VROCIOXY ', 10 / \n DATA CONV_FAC_CRACMM2( 29) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 30) , SPMH_MAP_CRACMM2(30) \n & / 'camphor ', 30 / \n DATA MECH_NAM_CRACMM2(30 ) , MECH_MAP_CRACMM2( 30) \n & / 'KET ', 11 / \n DATA CONV_FAC_CRACMM2( 30) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 31) , SPMH_MAP_CRACMM2(31) \n & / 'estragole ', 31 / \n DATA MECH_NAM_CRACMM2(31 ) , MECH_MAP_CRACMM2( 31) \n & / 'VROCP6ARO ', 8 / \n DATA CONV_FAC_CRACMM2( 31) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 32) , SPMH_MAP_CRACMM2(32) \n & / 'fenchone ', 32 / \n DATA MECH_NAM_CRACMM2(32 ) , MECH_MAP_CRACMM2( 32) \n & / 'KET ', 11 / \n DATA CONV_FAC_CRACMM2( 32) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 33) , SPMH_MAP_CRACMM2(33) \n & / 'ionone_b ', 33 / \n DATA MECH_NAM_CRACMM2(33 ) , MECH_MAP_CRACMM2( 33) \n & / 'VROCP6ARO ', 8 / \n DATA CONV_FAC_CRACMM2( 33) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 34) , SPMH_MAP_CRACMM2(34) \n & / 'ipsenol ', 34 / \n DATA MECH_NAM_CRACMM2(34 ) , MECH_MAP_CRACMM2( 34) \n & / 'LIM ', 4 / \n DATA CONV_FAC_CRACMM2( 34) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 35) , SPMH_MAP_CRACMM2(35) \n & / 'myrtenal ', 35 / \n DATA MECH_NAM_CRACMM2(35 ) , MECH_MAP_CRACMM2( 35) \n & / 'VROCIOXY ', 10 / \n DATA CONV_FAC_CRACMM2( 35) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 36) , SPMH_MAP_CRACMM2(36) \n & / 'octanol ', 36 / \n DATA MECH_NAM_CRACMM2(36 ) , MECH_MAP_CRACMM2( 36) \n & / 'VROCIOXY ', 10 / \n DATA CONV_FAC_CRACMM2( 36) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 37) , SPMH_MAP_CRACMM2(37) \n & / 'octenol_1e3ol ', 37 / \n DATA MECH_NAM_CRACMM2(37 ) , MECH_MAP_CRACMM2( 37) \n & / 'VROCP6ARO ', 8 / \n DATA CONV_FAC_CRACMM2( 37) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 38) , SPMH_MAP_CRACMM2(38) \n & / 'piperitone ', 38 / \n DATA MECH_NAM_CRACMM2(38 ) , MECH_MAP_CRACMM2( 38) \n & / 'API ', 3 / \n DATA CONV_FAC_CRACMM2( 38) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 39) , SPMH_MAP_CRACMM2(39) \n & / 'terpineol_4 ', 39 / \n DATA MECH_NAM_CRACMM2(39 ) , MECH_MAP_CRACMM2( 39) \n & / 'API ', 3 / \n DATA CONV_FAC_CRACMM2( 39) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 40) , SPMH_MAP_CRACMM2(40) \n & / 'terpineol_a ', 40 / \n DATA MECH_NAM_CRACMM2(40 ) , MECH_MAP_CRACMM2( 40) \n & / 'API ', 3 / \n DATA CONV_FAC_CRACMM2( 40) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 41) , SPMH_MAP_CRACMM2(41) \n & / 'thujone_a ', 41 / \n DATA MECH_NAM_CRACMM2(41 ) , MECH_MAP_CRACMM2( 41) \n & / 'KET ', 11 / \n DATA CONV_FAC_CRACMM2( 41) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 42) , SPMH_MAP_CRACMM2(42) \n & / 'thujone_b ', 42 / \n DATA MECH_NAM_CRACMM2(42 ) , MECH_MAP_CRACMM2( 42) \n & / 'KET ', 11 / \n DATA CONV_FAC_CRACMM2( 42) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 43) , SPMH_MAP_CRACMM2(43) \n & / 'acoradiene ', 43 / \n DATA MECH_NAM_CRACMM2(43 ) , MECH_MAP_CRACMM2( 43) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM2( 43) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 44) , SPMH_MAP_CRACMM2(44) \n & / 'bergamotene_a ', 44 / \n DATA MECH_NAM_CRACMM2(44 ) , MECH_MAP_CRACMM2( 44) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM2( 44) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 45) , SPMH_MAP_CRACMM2(45) \n & / 'bergamotene_b ', 45 / \n DATA MECH_NAM_CRACMM2(45 ) , MECH_MAP_CRACMM2( 45) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM2( 45) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 46) , SPMH_MAP_CRACMM2(46) \n & / 'bisabolene_a ', 46 / \n DATA MECH_NAM_CRACMM2(46 ) , MECH_MAP_CRACMM2( 46) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM2( 46) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 47) , SPMH_MAP_CRACMM2(47) \n & / 'bisabolene_b ', 47 / \n DATA MECH_NAM_CRACMM2(47 ) , MECH_MAP_CRACMM2( 47) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM2( 47) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 48) , SPMH_MAP_CRACMM2(48) \n & / 'cadinene_d ', 48 / \n DATA MECH_NAM_CRACMM2(48 ) , MECH_MAP_CRACMM2( 48) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM2( 48) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 49) , SPMH_MAP_CRACMM2(49) \n & / 'cadinene_g ', 49 / \n DATA MECH_NAM_CRACMM2(49 ) , MECH_MAP_CRACMM2( 49) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM2( 49) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 50) , SPMH_MAP_CRACMM2(50) \n & / 'calarene ', 50 / \n DATA MECH_NAM_CRACMM2(50 ) , MECH_MAP_CRACMM2( 50) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM2( 50) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 51) , SPMH_MAP_CRACMM2(51) \n & / 'caryophyllene_b ', 51 / \n DATA MECH_NAM_CRACMM2(51 ) , MECH_MAP_CRACMM2( 51) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM2( 51) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 52) , SPMH_MAP_CRACMM2(52) \n & / 'caryophyllene_c_i ', 52 / \n DATA MECH_NAM_CRACMM2(52 ) , MECH_MAP_CRACMM2( 52) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM2( 52) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 53) , SPMH_MAP_CRACMM2(53) \n & / 'elemene_b ', 53 / \n DATA MECH_NAM_CRACMM2(53 ) , MECH_MAP_CRACMM2( 53) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM2( 53) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 54) , SPMH_MAP_CRACMM2(54) \n & / 'farnescene_a ', 54 / \n DATA MECH_NAM_CRACMM2(54 ) , MECH_MAP_CRACMM2( 54) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM2( 54) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 55) , SPMH_MAP_CRACMM2(55) \n & / 'farnescene_b ', 55 / \n DATA MECH_NAM_CRACMM2(55 ) , MECH_MAP_CRACMM2( 55) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM2( 55) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 56) , SPMH_MAP_CRACMM2(56) \n & / 'farnesol ', 56 / \n DATA MECH_NAM_CRACMM2(56 ) , MECH_MAP_CRACMM2( 56) \n & / 'VROCP5ARO ', 13 / \n DATA CONV_FAC_CRACMM2( 56) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 57) , SPMH_MAP_CRACMM2(57) \n & / 'germacrene_B ', 57 / \n DATA MECH_NAM_CRACMM2(57 ) , MECH_MAP_CRACMM2( 57) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM2( 57) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 58) , SPMH_MAP_CRACMM2(58) \n & / 'germacrene_D ', 58 / \n DATA MECH_NAM_CRACMM2(58 ) , MECH_MAP_CRACMM2( 58) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM2( 58) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 59) , SPMH_MAP_CRACMM2(59) \n & / 'humulene_a ', 59 / \n DATA MECH_NAM_CRACMM2(59 ) , MECH_MAP_CRACMM2( 59) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM2( 59) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 60) , SPMH_MAP_CRACMM2(60) \n & / 'humulene_g ', 60 / \n DATA MECH_NAM_CRACMM2(60 ) , MECH_MAP_CRACMM2( 60) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM2( 60) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 61) , SPMH_MAP_CRACMM2(61) \n & / 'muurolene_a ', 61 / \n DATA MECH_NAM_CRACMM2(61 ) , MECH_MAP_CRACMM2( 61) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM2( 61) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 62) , SPMH_MAP_CRACMM2(62) \n & / 'muurolene_g ', 62 / \n DATA MECH_NAM_CRACMM2(62 ) , MECH_MAP_CRACMM2( 62) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM2( 62) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 63) , SPMH_MAP_CRACMM2(63) \n & / 'nerolidol_c ', 63 / \n DATA MECH_NAM_CRACMM2(63 ) , MECH_MAP_CRACMM2( 63) \n & / 'VROCP5ARO ', 13 / \n DATA CONV_FAC_CRACMM2( 63) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 64) , SPMH_MAP_CRACMM2(64) \n & / 'nerolidol_t ', 64 / \n DATA MECH_NAM_CRACMM2(64 ) , MECH_MAP_CRACMM2( 64) \n & / 'VROCP5ARO ', 13 / \n DATA CONV_FAC_CRACMM2( 64) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 65) , SPMH_MAP_CRACMM2(65) \n & / 'patchoulene_b ', 65 / \n DATA MECH_NAM_CRACMM2(65 ) , MECH_MAP_CRACMM2( 65) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM2( 65) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 66) , SPMH_MAP_CRACMM2(66) \n & / 'selinene_b ', 66 / \n DATA MECH_NAM_CRACMM2(66 ) , MECH_MAP_CRACMM2( 66) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM2( 66) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 67) , SPMH_MAP_CRACMM2(67) \n & / 'selinene_d ', 67 / \n DATA MECH_NAM_CRACMM2(67 ) , MECH_MAP_CRACMM2( 67) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM2( 67) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 68) , SPMH_MAP_CRACMM2(68) \n & / '2ethyl_hexyl_salate ', 68 / \n DATA MECH_NAM_CRACMM2(68 ) , MECH_MAP_CRACMM2( 68) \n & / 'VROCP2OXY2 ', 16 / \n DATA CONV_FAC_CRACMM2( 68) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 69) , SPMH_MAP_CRACMM2(69) \n & / 'aromadendrene ', 69 / \n DATA MECH_NAM_CRACMM2(69 ) , MECH_MAP_CRACMM2( 69) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM2( 69) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 70) , SPMH_MAP_CRACMM2(70) \n & / 'bourbonene_b ', 70 / \n DATA MECH_NAM_CRACMM2(70 ) , MECH_MAP_CRACMM2( 70) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM2( 70) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 71) , SPMH_MAP_CRACMM2(71) \n & / 'cadinol_a ', 71 / \n DATA MECH_NAM_CRACMM2(71 ) , MECH_MAP_CRACMM2( 71) \n & / 'VROCP5ARO ', 13 / \n DATA CONV_FAC_CRACMM2( 71) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 72) , SPMH_MAP_CRACMM2(72) \n & / 'cedrene_a ', 72 / \n DATA MECH_NAM_CRACMM2(72 ) , MECH_MAP_CRACMM2( 72) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM2( 72) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 73) , SPMH_MAP_CRACMM2(73) \n & / 'cedrol ', 73 / \n DATA MECH_NAM_CRACMM2(73 ) , MECH_MAP_CRACMM2( 73) \n & / 'VROCP5OXY1 ', 18 / \n DATA CONV_FAC_CRACMM2( 73) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 74) , SPMH_MAP_CRACMM2(74) \n & / 'copaene_a ', 74 / \n DATA MECH_NAM_CRACMM2(74 ) , MECH_MAP_CRACMM2( 74) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM2( 74) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 75) , SPMH_MAP_CRACMM2(75) \n & / 'cubebene_a ', 75 / \n DATA MECH_NAM_CRACMM2(75 ) , MECH_MAP_CRACMM2( 75) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM2( 75) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 76) , SPMH_MAP_CRACMM2(76) \n & / 'cubebene_b ', 76 / \n DATA MECH_NAM_CRACMM2(76 ) , MECH_MAP_CRACMM2( 76) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM2( 76) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 77) , SPMH_MAP_CRACMM2(77) \n & / 'gurjunene_b ', 77 / \n DATA MECH_NAM_CRACMM2(77 ) , MECH_MAP_CRACMM2( 77) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM2( 77) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 78) , SPMH_MAP_CRACMM2(78) \n & / 'homosalate ', 78 / \n DATA MECH_NAM_CRACMM2(78 ) , MECH_MAP_CRACMM2( 78) \n & / 'VROCP1OXY1 ', 14 / \n DATA CONV_FAC_CRACMM2( 78) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 79) , SPMH_MAP_CRACMM2(79) \n & / 'isolongifolene ', 79 / \n DATA MECH_NAM_CRACMM2(79 ) , MECH_MAP_CRACMM2( 79) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM2( 79) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 80) , SPMH_MAP_CRACMM2(80) \n & / 'kaur_16_ene ', 80 / \n DATA MECH_NAM_CRACMM2(80 ) , MECH_MAP_CRACMM2( 80) \n & / 'VROCP5ARO ', 13 / \n DATA CONV_FAC_CRACMM2( 80) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 81) , SPMH_MAP_CRACMM2(81) \n & / 'longifolene ', 81 / \n DATA MECH_NAM_CRACMM2(81 ) , MECH_MAP_CRACMM2( 81) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM2( 81) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 82) , SPMH_MAP_CRACMM2(82) \n & / 'longipinene ', 82 / \n DATA MECH_NAM_CRACMM2(82 ) , MECH_MAP_CRACMM2( 82) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM2( 82) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 83) , SPMH_MAP_CRACMM2(83) \n & / 'thujopsene ', 83 / \n DATA MECH_NAM_CRACMM2(83 ) , MECH_MAP_CRACMM2( 83) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM2( 83) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 84) , SPMH_MAP_CRACMM2(84) \n & / 'ylangene_a ', 84 / \n DATA MECH_NAM_CRACMM2(84 ) , MECH_MAP_CRACMM2( 84) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM2( 84) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 85) , SPMH_MAP_CRACMM2(85) \n & / 'zingiberene_a ', 85 / \n DATA MECH_NAM_CRACMM2(85 ) , MECH_MAP_CRACMM2( 85) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM2( 85) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 86) , SPMH_MAP_CRACMM2(86) \n & / 'copaene_b ', 86 / \n DATA MECH_NAM_CRACMM2(86 ) , MECH_MAP_CRACMM2( 86) \n & / 'SESQ ', 12 / \n DATA CONV_FAC_CRACMM2( 86) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 87) , SPMH_MAP_CRACMM2(87) \n & / 'longicyclene ', 87 / \n DATA MECH_NAM_CRACMM2(87 ) , MECH_MAP_CRACMM2( 87) \n & / 'VROCP4ALK ', 17 / \n DATA CONV_FAC_CRACMM2( 87) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 88) , SPMH_MAP_CRACMM2(88) \n & / 'methanol ', 88 / \n DATA MECH_NAM_CRACMM2(88 ) , MECH_MAP_CRACMM2( 88) \n & / 'MOH ', 19 / \n DATA CONV_FAC_CRACMM2( 88) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 89) , SPMH_MAP_CRACMM2(89) \n & / 'acetone ', 89 / \n DATA MECH_NAM_CRACMM2(89 ) , MECH_MAP_CRACMM2( 89) \n & / 'ACT ', 20 / \n DATA CONV_FAC_CRACMM2( 89) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 90) , SPMH_MAP_CRACMM2(90) \n & / 'acetaldehyde ', 90 / \n DATA MECH_NAM_CRACMM2(90 ) , MECH_MAP_CRACMM2( 90) \n & / 'ACD ', 21 / \n DATA CONV_FAC_CRACMM2( 90) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 91) , SPMH_MAP_CRACMM2(91) \n & / 'ethanol ', 91 / \n DATA MECH_NAM_CRACMM2(91 ) , MECH_MAP_CRACMM2( 91) \n & / 'EOH ', 22 / \n DATA CONV_FAC_CRACMM2( 91) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 92) , SPMH_MAP_CRACMM2(92) \n & / 'acetic_acid ', 92 / \n DATA MECH_NAM_CRACMM2(92 ) , MECH_MAP_CRACMM2( 92) \n & / 'ORA2 ', 23 / \n DATA CONV_FAC_CRACMM2( 92) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 93) , SPMH_MAP_CRACMM2(93) \n & / 'formic_acid ', 93 / \n DATA MECH_NAM_CRACMM2(93 ) , MECH_MAP_CRACMM2( 93) \n & / 'ORA1 ', 24 / \n DATA CONV_FAC_CRACMM2( 93) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 94) , SPMH_MAP_CRACMM2(94) \n & / 'pyruvic_acid ', 94 / \n DATA MECH_NAM_CRACMM2(94 ) , MECH_MAP_CRACMM2( 94) \n & / 'KET ', 11 / \n DATA CONV_FAC_CRACMM2( 94) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 95) , SPMH_MAP_CRACMM2(95) \n & / '2_methylprop_1_ene ', 95 / \n DATA MECH_NAM_CRACMM2(95 ) , MECH_MAP_CRACMM2( 95) \n & / 'OLT ', 2 / \n DATA CONV_FAC_CRACMM2( 95) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 96) , SPMH_MAP_CRACMM2(96) \n & / 'butane ', 96 / \n DATA MECH_NAM_CRACMM2(96 ) , MECH_MAP_CRACMM2( 96) \n & / 'HC3 ', 5 / \n DATA CONV_FAC_CRACMM2( 96) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 97) , SPMH_MAP_CRACMM2(97) \n & / 'butene ', 97 / \n DATA MECH_NAM_CRACMM2(97 ) , MECH_MAP_CRACMM2( 97) \n & / 'OLT ', 2 / \n DATA CONV_FAC_CRACMM2( 97) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 98) , SPMH_MAP_CRACMM2(98) \n & / 'butene_c2 ', 98 / \n DATA MECH_NAM_CRACMM2(98 ) , MECH_MAP_CRACMM2( 98) \n & / 'OLI ', 25 / \n DATA CONV_FAC_CRACMM2( 98) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 99) , SPMH_MAP_CRACMM2(99) \n & / 'butene_t2 ', 99 / \n DATA MECH_NAM_CRACMM2(99 ) , MECH_MAP_CRACMM2( 99) \n & / 'OLI ', 25 / \n DATA CONV_FAC_CRACMM2( 99) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 100) , SPMH_MAP_CRACMM2(100) \n & / 'ethane ', 100 / \n DATA MECH_NAM_CRACMM2(100 ) , MECH_MAP_CRACMM2( 100) \n & / 'ETH ', 26 / \n DATA CONV_FAC_CRACMM2( 100) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 101) , SPMH_MAP_CRACMM2(101) \n & / 'ethene ', 101 / \n DATA MECH_NAM_CRACMM2(101 ) , MECH_MAP_CRACMM2( 101) \n & / 'ETE ', 27 / \n DATA CONV_FAC_CRACMM2( 101) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 102) , SPMH_MAP_CRACMM2(102) \n & / 'propane ', 102 / \n DATA MECH_NAM_CRACMM2(102 ) , MECH_MAP_CRACMM2( 102) \n & / 'HC3 ', 5 / \n DATA CONV_FAC_CRACMM2( 102) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 103) , SPMH_MAP_CRACMM2(103) \n & / 'propene ', 103 / \n DATA MECH_NAM_CRACMM2(103 ) , MECH_MAP_CRACMM2( 103) \n & / 'OLT ', 2 / \n DATA CONV_FAC_CRACMM2( 103) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 104) , SPMH_MAP_CRACMM2(104) \n & / 'decanal ', 104 / \n DATA MECH_NAM_CRACMM2(104 ) , MECH_MAP_CRACMM2( 104) \n & / 'VROCIOXY ', 10 / \n DATA CONV_FAC_CRACMM2( 104) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 105) , SPMH_MAP_CRACMM2(105) \n & / 'geranyl_acetone ', 105 / \n DATA MECH_NAM_CRACMM2(105 ) , MECH_MAP_CRACMM2( 105) \n & / 'VROCP6ARO ', 8 / \n DATA CONV_FAC_CRACMM2( 105) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 106) , SPMH_MAP_CRACMM2(106) \n & / 'met_heptenone ', 106 / \n DATA MECH_NAM_CRACMM2(106 ) , MECH_MAP_CRACMM2( 106) \n & / 'OLI ', 25 / \n DATA CONV_FAC_CRACMM2( 106) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 107) , SPMH_MAP_CRACMM2(107) \n & / 'neryl_acetone ', 107 / \n DATA MECH_NAM_CRACMM2(107 ) , MECH_MAP_CRACMM2( 107) \n & / 'VROCP6ARO ', 8 / \n DATA CONV_FAC_CRACMM2( 107) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 108) , SPMH_MAP_CRACMM2(108) \n & / 'nonanal ', 108 / \n DATA MECH_NAM_CRACMM2(108 ) , MECH_MAP_CRACMM2( 108) \n & / 'VROCIOXY ', 10 / \n DATA CONV_FAC_CRACMM2( 108) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 109) , SPMH_MAP_CRACMM2(109) \n & / 'nonenal ', 109 / \n DATA MECH_NAM_CRACMM2(109 ) , MECH_MAP_CRACMM2( 109) \n & / 'VROCP6ARO ', 8 / \n DATA CONV_FAC_CRACMM2( 109) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 110) , SPMH_MAP_CRACMM2(110) \n & / 'octanal ', 110 / \n DATA MECH_NAM_CRACMM2(110 ) , MECH_MAP_CRACMM2( 110) \n & / 'ALD ', 28 / \n DATA CONV_FAC_CRACMM2( 110) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 111) , SPMH_MAP_CRACMM2(111) \n & / 'pentanal ', 111 / \n DATA MECH_NAM_CRACMM2(111 ) , MECH_MAP_CRACMM2( 111) \n & / 'ALD ', 28 / \n DATA CONV_FAC_CRACMM2( 111) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 112) , SPMH_MAP_CRACMM2(112) \n & / 't-2-octenal ', 112 / \n DATA MECH_NAM_CRACMM2(112 ) , MECH_MAP_CRACMM2( 112) \n & / 'UALD ', 29 / \n DATA CONV_FAC_CRACMM2( 112) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 113) , SPMH_MAP_CRACMM2(113) \n & / 'formaldehyde ', 113 / \n DATA MECH_NAM_CRACMM2(113 ) , MECH_MAP_CRACMM2( 113) \n & / 'HCHO ', 30 / \n DATA CONV_FAC_CRACMM2( 113) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 114) , SPMH_MAP_CRACMM2(114) \n & / 'oxopentanal ', 114 / \n DATA MECH_NAM_CRACMM2(114 ) , MECH_MAP_CRACMM2( 114) \n & / 'MGLY ', 31 / \n DATA CONV_FAC_CRACMM2( 114) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 115) , SPMH_MAP_CRACMM2(115) \n & / '1_pentanol ', 115 / \n DATA MECH_NAM_CRACMM2(115 ) , MECH_MAP_CRACMM2( 115) \n & / 'ROH ', 32 / \n DATA CONV_FAC_CRACMM2( 115) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 116) , SPMH_MAP_CRACMM2(116) \n & / '1_penten_3_one ', 116 / \n DATA MECH_NAM_CRACMM2(116 ) , MECH_MAP_CRACMM2( 116) \n & / 'OLT ', 2 / \n DATA CONV_FAC_CRACMM2( 116) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 117) , SPMH_MAP_CRACMM2(117) \n & / '2_met_butanenitrile ', 117 / \n DATA MECH_NAM_CRACMM2(117 ) , MECH_MAP_CRACMM2( 117) \n & / 'HC3 ', 5 / \n DATA CONV_FAC_CRACMM2( 117) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 118) , SPMH_MAP_CRACMM2(118) \n & / '2_pentene ', 118 / \n DATA MECH_NAM_CRACMM2(118 ) , MECH_MAP_CRACMM2( 118) \n & / 'OLI ', 25 / \n DATA CONV_FAC_CRACMM2( 118) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 119) , SPMH_MAP_CRACMM2(119) \n & / '3_metfuran ', 119 / \n DATA MECH_NAM_CRACMM2(119 ) , MECH_MAP_CRACMM2( 119) \n & / 'FURAN ', 6 / \n DATA CONV_FAC_CRACMM2( 119) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 120) , SPMH_MAP_CRACMM2(120) \n & / '3_metthiophene ', 120 / \n DATA MECH_NAM_CRACMM2(120 ) , MECH_MAP_CRACMM2( 120) \n & / 'FURAN ', 6 / \n DATA CONV_FAC_CRACMM2( 120) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 121) , SPMH_MAP_CRACMM2(121) \n & / '3_pentanone ', 121 / \n DATA MECH_NAM_CRACMM2(121 ) , MECH_MAP_CRACMM2( 121) \n & / 'KET ', 11 / \n DATA CONV_FAC_CRACMM2( 121) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 122) , SPMH_MAP_CRACMM2(122) \n & / '3_penten_2_ol ', 122 / \n DATA MECH_NAM_CRACMM2(122 ) , MECH_MAP_CRACMM2( 122) \n & / 'OLI ', 25 / \n DATA CONV_FAC_CRACMM2( 122) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 123) , SPMH_MAP_CRACMM2(123) \n & / '4_penten_1_ol ', 123 / \n DATA MECH_NAM_CRACMM2(123 ) , MECH_MAP_CRACMM2( 123) \n & / 'OLT ', 2 / \n DATA CONV_FAC_CRACMM2( 123) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 124) , SPMH_MAP_CRACMM2(124) \n & / '8_heptadecene ', 124 / \n DATA MECH_NAM_CRACMM2(124 ) , MECH_MAP_CRACMM2( 124) \n & / 'VROCP5ARO ', 13 / \n DATA CONV_FAC_CRACMM2( 124) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 125) , SPMH_MAP_CRACMM2(125) \n & / 'acetophenone ', 125 / \n DATA MECH_NAM_CRACMM2(125 ) , MECH_MAP_CRACMM2( 125) \n & / 'VROCP6ARO ', 8 / \n DATA CONV_FAC_CRACMM2( 125) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 126) , SPMH_MAP_CRACMM2(126) \n & / 'anisole ', 126 / \n DATA MECH_NAM_CRACMM2(126 ) , MECH_MAP_CRACMM2( 126) \n & / 'XYL ', 7 / \n DATA CONV_FAC_CRACMM2( 126) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 127) , SPMH_MAP_CRACMM2(127) \n & / 'benzaldehyde ', 127 / \n DATA MECH_NAM_CRACMM2(127 ) , MECH_MAP_CRACMM2( 127) \n & / 'BALD ', 33 / \n DATA CONV_FAC_CRACMM2( 127) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 128) , SPMH_MAP_CRACMM2(128) \n & / 'benzene ', 128 / \n DATA MECH_NAM_CRACMM2(128 ) , MECH_MAP_CRACMM2( 128) \n & / 'BEN ', 34 / \n DATA CONV_FAC_CRACMM2( 128) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 129) , SPMH_MAP_CRACMM2(129) \n & / 'benzyl_benzoate ', 129 / \n DATA MECH_NAM_CRACMM2(129 ) , MECH_MAP_CRACMM2( 129) \n & / 'VROCP5ARO ', 13 / \n DATA CONV_FAC_CRACMM2( 129) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 130) , SPMH_MAP_CRACMM2(130) \n & / 'benzyl_acetate ', 130 / \n DATA MECH_NAM_CRACMM2(130 ) , MECH_MAP_CRACMM2( 130) \n & / 'VROCP6ARO ', 8 / \n DATA CONV_FAC_CRACMM2( 130) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 131) , SPMH_MAP_CRACMM2(131) \n & / 'benzyl_alcohol ', 131 / \n DATA MECH_NAM_CRACMM2(131 ) , MECH_MAP_CRACMM2( 131) \n & / 'CSL ', 35 / \n DATA CONV_FAC_CRACMM2( 131) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 132) , SPMH_MAP_CRACMM2(132) \n & / 'chavicol ', 132 / \n DATA MECH_NAM_CRACMM2(132 ) , MECH_MAP_CRACMM2( 132) \n & / 'CSL ', 35 / \n DATA CONV_FAC_CRACMM2( 132) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 133) , SPMH_MAP_CRACMM2(133) \n & / 'cineole_1_8 ', 133 / \n DATA MECH_NAM_CRACMM2(133 ) , MECH_MAP_CRACMM2( 133) \n & / 'HC10 ', 36 / \n DATA CONV_FAC_CRACMM2( 133) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 134) , SPMH_MAP_CRACMM2(134) \n & / 'cinnamaldehyde ', 134 / \n DATA MECH_NAM_CRACMM2(134 ) , MECH_MAP_CRACMM2( 134) \n & / 'BALD ', 33 / \n DATA CONV_FAC_CRACMM2( 134) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 135) , SPMH_MAP_CRACMM2(135) \n & / 'cinnamic_acid ', 135 / \n DATA MECH_NAM_CRACMM2(135 ) , MECH_MAP_CRACMM2( 135) \n & / 'VROCP2OXY2 ', 16 / \n DATA CONV_FAC_CRACMM2( 135) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 136) , SPMH_MAP_CRACMM2(136) \n & / 'coniferyl_alcohol ', 136 / \n DATA MECH_NAM_CRACMM2(136 ) , MECH_MAP_CRACMM2( 136) \n & / 'VROCP1OXY3 ', 15 / \n DATA CONV_FAC_CRACMM2( 136) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 137) , SPMH_MAP_CRACMM2(137) \n & / '2met_nonatriene ', 137 / \n DATA MECH_NAM_CRACMM2(137 ) , MECH_MAP_CRACMM2( 137) \n & / 'FURAN ', 6 / \n DATA CONV_FAC_CRACMM2( 137) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 138) , SPMH_MAP_CRACMM2(138) \n & / 'ethyl_cinnamate ', 138 / \n DATA MECH_NAM_CRACMM2(138 ) , MECH_MAP_CRACMM2( 138) \n & / 'VROCP5ARO ', 13 / \n DATA CONV_FAC_CRACMM2( 138) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 139) , SPMH_MAP_CRACMM2(139) \n & / 'eugenol ', 139 / \n DATA MECH_NAM_CRACMM2(139 ) , MECH_MAP_CRACMM2( 139) \n & / 'CSL ', 35 / \n DATA CONV_FAC_CRACMM2( 139) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 140) , SPMH_MAP_CRACMM2(140) \n & / 'guaiacol ', 140 / \n DATA MECH_NAM_CRACMM2(140 ) , MECH_MAP_CRACMM2( 140) \n & / 'CSL ', 35 / \n DATA CONV_FAC_CRACMM2( 140) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 141) , SPMH_MAP_CRACMM2(141) \n & / 'hexanal ', 141 / \n DATA MECH_NAM_CRACMM2(141 ) , MECH_MAP_CRACMM2( 141) \n & / 'ALD ', 28 / \n DATA CONV_FAC_CRACMM2( 141) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 142) , SPMH_MAP_CRACMM2(142) \n & / 'hexanol_1 ', 142 / \n DATA MECH_NAM_CRACMM2(142 ) , MECH_MAP_CRACMM2( 142) \n & / 'OLI ', 25 / \n DATA CONV_FAC_CRACMM2( 142) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 143) , SPMH_MAP_CRACMM2(143) \n & / 'hexenal_c3 ', 143 / \n DATA MECH_NAM_CRACMM2(143 ) , MECH_MAP_CRACMM2( 143) \n & / 'UALD ', 29 / \n DATA CONV_FAC_CRACMM2( 143) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 144) , SPMH_MAP_CRACMM2(144) \n & / 'hexenal_t2 ', 144 / \n DATA MECH_NAM_CRACMM2(144 ) , MECH_MAP_CRACMM2( 144) \n & / 'UALD ', 29 / \n DATA CONV_FAC_CRACMM2( 144) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 145) , SPMH_MAP_CRACMM2(145) \n & / 'hexenol_c3 ', 145 / \n DATA MECH_NAM_CRACMM2(145 ) , MECH_MAP_CRACMM2( 145) \n & / 'OLI ', 25 / \n DATA CONV_FAC_CRACMM2( 145) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 146) , SPMH_MAP_CRACMM2(146) \n & / 'hexenyl_ACT_c3 ', 146 / \n DATA MECH_NAM_CRACMM2(146 ) , MECH_MAP_CRACMM2( 146) \n & / 'OLI ', 25 / \n DATA CONV_FAC_CRACMM2( 146) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 147) , SPMH_MAP_CRACMM2(147) \n & / 'hydrogen_cyanide ', 147 / \n DATA MECH_NAM_CRACMM2(147 ) , MECH_MAP_CRACMM2( 147) \n & / 'SLOWROC ', 37 / \n DATA CONV_FAC_CRACMM2( 147) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 148) , SPMH_MAP_CRACMM2(148) \n & / 'isobutyronitrile ', 148 / \n DATA MECH_NAM_CRACMM2(148 ) , MECH_MAP_CRACMM2( 148) \n & / 'SLOWROC ', 37 / \n DATA CONV_FAC_CRACMM2( 148) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 149) , SPMH_MAP_CRACMM2(149) \n & / 'jasmone ', 149 / \n DATA MECH_NAM_CRACMM2(149 ) , MECH_MAP_CRACMM2( 149) \n & / 'VROCP6ARO ', 8 / \n DATA CONV_FAC_CRACMM2( 149) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 150) , SPMH_MAP_CRACMM2(150) \n & / 'linalool ', 150 / \n DATA MECH_NAM_CRACMM2(150 ) , MECH_MAP_CRACMM2( 150) \n & / 'LIM ', 4 / \n DATA CONV_FAC_CRACMM2( 150) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 151) , SPMH_MAP_CRACMM2(151) \n & / 'linalool_OXD_c ', 151 / \n DATA MECH_NAM_CRACMM2(151 ) , MECH_MAP_CRACMM2( 151) \n & / 'VROCP5ARO ', 13 / \n DATA CONV_FAC_CRACMM2( 151) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 152) , SPMH_MAP_CRACMM2(152) \n & / 'linalool_OXD_t ', 152 / \n DATA MECH_NAM_CRACMM2(152 ) , MECH_MAP_CRACMM2( 152) \n & / 'VROCP5ARO ', 13 / \n DATA CONV_FAC_CRACMM2( 152) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 153) , SPMH_MAP_CRACMM2(153) \n & / 'methacrolein ', 153 / \n DATA MECH_NAM_CRACMM2(153 ) , MECH_MAP_CRACMM2( 153) \n & / 'MACR ', 38 / \n DATA CONV_FAC_CRACMM2( 153) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 154) , SPMH_MAP_CRACMM2(154) \n & / 'met_benzoate ', 154 / \n DATA MECH_NAM_CRACMM2(154 ) , MECH_MAP_CRACMM2( 154) \n & / 'VROCP6ARO ', 8 / \n DATA CONV_FAC_CRACMM2( 154) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 155) , SPMH_MAP_CRACMM2(155) \n & / 'met_jasmonate ', 155 / \n DATA MECH_NAM_CRACMM2(155 ) , MECH_MAP_CRACMM2( 155) \n & / 'VROCP5ARO ', 13 / \n DATA CONV_FAC_CRACMM2( 155) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 156) , SPMH_MAP_CRACMM2(156) \n & / 'met_salicylate ', 156 / \n DATA MECH_NAM_CRACMM2(156 ) , MECH_MAP_CRACMM2( 156) \n & / 'CSL ', 35 / \n DATA CONV_FAC_CRACMM2( 156) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 157) , SPMH_MAP_CRACMM2(157) \n & / 'met_acetate ', 157 / \n DATA MECH_NAM_CRACMM2(157 ) , MECH_MAP_CRACMM2( 157) \n & / 'SLOWROC ', 37 / \n DATA CONV_FAC_CRACMM2( 157) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 158) , SPMH_MAP_CRACMM2(158) \n & / 'met_vinylketone ', 158 / \n DATA MECH_NAM_CRACMM2(158 ) , MECH_MAP_CRACMM2( 158) \n & / 'MVK ', 39 / \n DATA CONV_FAC_CRACMM2( 158) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 159) , SPMH_MAP_CRACMM2(159) \n & / 'p_coumaric_acid ', 159 / \n DATA MECH_NAM_CRACMM2(159 ) , MECH_MAP_CRACMM2( 159) \n & / 'VROCP1OXY3 ', 15 / \n DATA CONV_FAC_CRACMM2( 159) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 160) , SPMH_MAP_CRACMM2(160) \n & / 'phenol ', 160 / \n DATA MECH_NAM_CRACMM2(160 ) , MECH_MAP_CRACMM2( 160) \n & / 'PHEN ', 40 / \n DATA CONV_FAC_CRACMM2( 160) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 161) , SPMH_MAP_CRACMM2(161) \n & / 'phenylacetaldehyde ', 161 / \n DATA MECH_NAM_CRACMM2(161 ) , MECH_MAP_CRACMM2( 161) \n & / 'BALD ', 33 / \n DATA CONV_FAC_CRACMM2( 161) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 162) , SPMH_MAP_CRACMM2(162) \n & / 'safrole ', 162 / \n DATA MECH_NAM_CRACMM2(162 ) , MECH_MAP_CRACMM2( 162) \n & / 'VROCP5ARO ', 13 / \n DATA CONV_FAC_CRACMM2( 162) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 163) , SPMH_MAP_CRACMM2(163) \n & / 'salicylaldehyde ', 163 / \n DATA MECH_NAM_CRACMM2(163 ) , MECH_MAP_CRACMM2( 163) \n & / 'BALD ', 33 / \n DATA CONV_FAC_CRACMM2( 163) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 164) , SPMH_MAP_CRACMM2(164) \n & / 'toluene ', 164 / \n DATA MECH_NAM_CRACMM2(164 ) , MECH_MAP_CRACMM2( 164) \n & / 'TOL ', 41 / \n DATA CONV_FAC_CRACMM2( 164) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 165) , SPMH_MAP_CRACMM2(165) \n & / '3met_3DCTT ', 165 / \n DATA MECH_NAM_CRACMM2(165 ) , MECH_MAP_CRACMM2( 165) \n & / 'FURAN ', 6 / \n DATA CONV_FAC_CRACMM2( 165) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 166) , SPMH_MAP_CRACMM2(166) \n & / 'xylene ', 166 / \n DATA MECH_NAM_CRACMM2(166 ) , MECH_MAP_CRACMM2( 166) \n & / 'XYL ', 7 / \n DATA CONV_FAC_CRACMM2( 166) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 167) , SPMH_MAP_CRACMM2(167) \n & / 'z2_penten_1ol ', 167 / \n DATA MECH_NAM_CRACMM2(167 ) , MECH_MAP_CRACMM2( 167) \n & / 'OLI ', 25 / \n DATA CONV_FAC_CRACMM2( 167) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 168) , SPMH_MAP_CRACMM2(168) \n & / 'z2_penten_3ol ', 168 / \n DATA MECH_NAM_CRACMM2(168 ) , MECH_MAP_CRACMM2( 168) \n & / 'OLI ', 25 / \n DATA CONV_FAC_CRACMM2( 168) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 169) , SPMH_MAP_CRACMM2(169) \n & / 'z3_hexen_1yl_butyrate ', 169 / \n DATA MECH_NAM_CRACMM2(169 ) , MECH_MAP_CRACMM2( 169) \n & / 'VROCP6ARO ', 8 / \n DATA CONV_FAC_CRACMM2( 169) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 170) , SPMH_MAP_CRACMM2(170) \n & / 'butanone_2 ', 170 / \n DATA MECH_NAM_CRACMM2(170 ) , MECH_MAP_CRACMM2( 170) \n & / 'MEK ', 42 / \n DATA CONV_FAC_CRACMM2( 170) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 171) , SPMH_MAP_CRACMM2(171) \n & / 'carbon_2s ', 171 / \n DATA MECH_NAM_CRACMM2(171 ) , MECH_MAP_CRACMM2( 171) \n & / 'SLOWROC ', 37 / \n DATA CONV_FAC_CRACMM2( 171) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 172) , SPMH_MAP_CRACMM2(172) \n & / 'carbonyl_s ', 172 / \n DATA MECH_NAM_CRACMM2(172 ) , MECH_MAP_CRACMM2( 172) \n & / 'SLOWROC ', 37 / \n DATA CONV_FAC_CRACMM2( 172) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 173) , SPMH_MAP_CRACMM2(173) \n & / 'decane ', 173 / \n DATA MECH_NAM_CRACMM2(173 ) , MECH_MAP_CRACMM2( 173) \n & / 'HC10 ', 36 / \n DATA CONV_FAC_CRACMM2( 173) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 174) , SPMH_MAP_CRACMM2(174) \n & / 'diallyl_2s ', 174 / \n DATA MECH_NAM_CRACMM2(174 ) , MECH_MAP_CRACMM2( 174) \n & / 'VROCP6ARO ', 8 / \n DATA CONV_FAC_CRACMM2( 174) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 175) , SPMH_MAP_CRACMM2(175) \n & / '2met_2s ', 175 / \n DATA MECH_NAM_CRACMM2(175 ) , MECH_MAP_CRACMM2( 175) \n & / 'HC10 ', 36 / \n DATA CONV_FAC_CRACMM2( 175) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 176) , SPMH_MAP_CRACMM2(176) \n & / '2met_s ', 176 / \n DATA MECH_NAM_CRACMM2(176 ) , MECH_MAP_CRACMM2( 176) \n & / 'HC5 ', 43 / \n DATA CONV_FAC_CRACMM2( 176) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 177) , SPMH_MAP_CRACMM2(177) \n & / 'dodecene_1 ', 177 / \n DATA MECH_NAM_CRACMM2(177 ) , MECH_MAP_CRACMM2( 177) \n & / 'VROCP6ARO ', 8 / \n DATA CONV_FAC_CRACMM2( 177) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 178) , SPMH_MAP_CRACMM2(178) \n & / 'heptanal ', 178 / \n DATA MECH_NAM_CRACMM2(178 ) , MECH_MAP_CRACMM2( 178) \n & / 'ALD ', 28 / \n DATA CONV_FAC_CRACMM2( 178) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 179) , SPMH_MAP_CRACMM2(179) \n & / 'heptane ', 179 / \n DATA MECH_NAM_CRACMM2(179 ) , MECH_MAP_CRACMM2( 179) \n & / 'HC10 ', 36 / \n DATA CONV_FAC_CRACMM2( 179) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 180) , SPMH_MAP_CRACMM2(180) \n & / 'heptanone ', 180 / \n DATA MECH_NAM_CRACMM2(180 ) , MECH_MAP_CRACMM2( 180) \n & / 'KET ', 11 / \n DATA CONV_FAC_CRACMM2( 180) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 181) , SPMH_MAP_CRACMM2(181) \n & / 'hexane ', 181 / \n DATA MECH_NAM_CRACMM2(181 ) , MECH_MAP_CRACMM2( 181) \n & / 'HC5 ', 43 / \n DATA CONV_FAC_CRACMM2( 181) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 182) , SPMH_MAP_CRACMM2(182) \n & / 'indole ', 183 / \n DATA MECH_NAM_CRACMM2(182 ) , MECH_MAP_CRACMM2( 182) \n & / 'VROCP5ARO ', 13 / \n DATA CONV_FAC_CRACMM2( 182) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 183) , SPMH_MAP_CRACMM2(183) \n & / 'methane ', 184 / \n DATA MECH_NAM_CRACMM2(183 ) , MECH_MAP_CRACMM2( 183) \n & / 'ECH4 ', 45 / \n DATA CONV_FAC_CRACMM2( 183) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 184) , SPMH_MAP_CRACMM2(184) \n & / 'met_bromide ', 185 / \n DATA MECH_NAM_CRACMM2(184 ) , MECH_MAP_CRACMM2( 184) \n & / 'SLOWROC ', 37 / \n DATA CONV_FAC_CRACMM2( 184) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 185) , SPMH_MAP_CRACMM2(185) \n & / 'met_chloride ', 186 / \n DATA MECH_NAM_CRACMM2(185 ) , MECH_MAP_CRACMM2( 185) \n & / 'SLOWROC ', 37 / \n DATA CONV_FAC_CRACMM2( 185) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 186) , SPMH_MAP_CRACMM2(186) \n & / 'met_iodide ', 187 / \n DATA MECH_NAM_CRACMM2(186 ) , MECH_MAP_CRACMM2( 186) \n & / 'SLOWROC ', 37 / \n DATA CONV_FAC_CRACMM2( 186) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 187) , SPMH_MAP_CRACMM2(187) \n & / 'met_mercaptan ', 188 / \n DATA MECH_NAM_CRACMM2(187 ) , MECH_MAP_CRACMM2( 187) \n & / 'HC10 ', 36 / \n DATA CONV_FAC_CRACMM2( 187) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 188) , SPMH_MAP_CRACMM2(188) \n & / 'met_propenyl_2s ', 189 / \n DATA MECH_NAM_CRACMM2(188 ) , MECH_MAP_CRACMM2( 188) \n & / 'OLI ', 25 / \n DATA CONV_FAC_CRACMM2( 188) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 189) , SPMH_MAP_CRACMM2(189) \n & / 'MBO_3m2e1ol ', 190 / \n DATA MECH_NAM_CRACMM2(189 ) , MECH_MAP_CRACMM2( 189) \n & / 'OLI ', 25 / \n DATA CONV_FAC_CRACMM2( 189) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 190) , SPMH_MAP_CRACMM2(190) \n & / 'MBO_3m3e1ol ', 191 / \n DATA MECH_NAM_CRACMM2(190 ) , MECH_MAP_CRACMM2( 190) \n & / 'OLT ', 2 / \n DATA CONV_FAC_CRACMM2( 190) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 191) , SPMH_MAP_CRACMM2(191) \n & / 'naphthalene ', 192 / \n DATA MECH_NAM_CRACMM2(191 ) , MECH_MAP_CRACMM2( 191) \n & / 'NAPH ', 9 / \n DATA CONV_FAC_CRACMM2( 191) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 192) , SPMH_MAP_CRACMM2(192) \n & / 'pentane ', 193 / \n DATA MECH_NAM_CRACMM2(192 ) , MECH_MAP_CRACMM2( 192) \n & / 'HC5 ', 43 / \n DATA CONV_FAC_CRACMM2( 192) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 193) , SPMH_MAP_CRACMM2(193) \n & / 'PPPP_2s ', 194 / \n DATA MECH_NAM_CRACMM2(193 ) , MECH_MAP_CRACMM2( 193) \n & / 'VROCP6ARO ', 8 / \n DATA CONV_FAC_CRACMM2( 193) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 194) , SPMH_MAP_CRACMM2(194) \n & / 'santene ', 195 / \n DATA MECH_NAM_CRACMM2(194 ) , MECH_MAP_CRACMM2( 194) \n & / 'OLI ', 25 / \n DATA CONV_FAC_CRACMM2( 194) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 195) , SPMH_MAP_CRACMM2(195) \n & / 'skatole ', 196 / \n DATA MECH_NAM_CRACMM2(195 ) , MECH_MAP_CRACMM2( 195) \n & / 'VROCP5ARO ', 13 / \n DATA CONV_FAC_CRACMM2( 195) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 196) , SPMH_MAP_CRACMM2(196) \n & / 'terpinyl_ACT_a ', 197 / \n DATA MECH_NAM_CRACMM2(196 ) , MECH_MAP_CRACMM2( 196) \n & / 'VROCP6ARO ', 8 / \n DATA CONV_FAC_CRACMM2( 196) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 197) , SPMH_MAP_CRACMM2(197) \n & / 'tetradecene_1 ', 198 / \n DATA MECH_NAM_CRACMM2(197 ) , MECH_MAP_CRACMM2( 197) \n & / 'VROCP5ARO ', 13 / \n DATA CONV_FAC_CRACMM2( 197) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 198) , SPMH_MAP_CRACMM2(198) \n & / 'undecane ', 199 / \n DATA MECH_NAM_CRACMM2(198 ) , MECH_MAP_CRACMM2( 198) \n & / 'HC10 ', 36 / \n DATA CONV_FAC_CRACMM2( 198) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 199) , SPMH_MAP_CRACMM2(199) \n & / 'carbon_monoxide ', 200 / \n DATA MECH_NAM_CRACMM2(199 ) , MECH_MAP_CRACMM2( 199) \n & / 'CO ', 46 / \n DATA CONV_FAC_CRACMM2( 199) \n & / 1 /\n\n DATA SPMH_NAM_CRACMM2( 200) , SPMH_MAP_CRACMM2(200) \n & / 'nitric_OXD ', 201 / \n DATA MECH_NAM_CRACMM2(200 ) , MECH_MAP_CRACMM2( 200) \n & / 'NO ', 44 / \n DATA CONV_FAC_CRACMM2( 200) \n & / 1 /\n" }, { "path": "CCTM/src/biog/megan3/MAP_CV2RACM2.EXT", "content": "C=======================================================================\nC MAP_CV2RACM2.EXT\nC This include file contains conversion table for 201 speciated species\nC to RACM2 (CMAQ/CAMx) species\nC\nC\nC MEGAN v3\nC\nC History:\nC Who When What\nC ---------------------------------------------------------------------\nC Tan 07/18/11 - Created for MEGANv2.10\nC Ling Huang 06/13/17 - Updated for MEGANv3\nC=======================================================================\n\n CHARACTER*16 MAP_RACM2MECH\n PARAMETER (MAP_RACM2MECH = 'RACM2 ')\n\n INTEGER N_RACM2\n PARAMETER (N_RACM2 = (156)) ! Number of map species\n\n CHARACTER*16 SPMH_NAM_RACM2( N_RACM2 ) ! speciated species name\n INTEGER SPMH_MAP_RACM2( N_RACM2 ) ! speciated species name\n ! mapped to SPC_SPCAT.EXT\n CHARACTER*16 MECH_NAM_RACM2( N_RACM2 ) ! mechanism species\n INTEGER MECH_MAP_RACM2( N_RACM2 ) ! mechanism species mapped\n\n REAL CONV_FAC_RACM2( N_RACM2 ) ! conversion factor\n\n \n DATA SPMH_NAM_RACM2( 1) , SPMH_MAP_RACM2( 1)\n & / 'isoprene ', 1 /\n DATA MECH_NAM_RACM2( 1) , MECH_MAP_RACM2( 1)\n & / 'ISO ', 1 /\n DATA CONV_FAC_RACM2( 1)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 2) , SPMH_MAP_RACM2( 2)\n & / 'MBO_2m3e2ol ', 2 /\n DATA MECH_NAM_RACM2( 2) , MECH_MAP_RACM2( 2)\n & / 'OLI ', 8 /\n DATA CONV_FAC_RACM2( 2)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 3) , SPMH_MAP_RACM2( 3)\n & / 'pinene_a ', 3 /\n DATA MECH_NAM_RACM2( 3) , MECH_MAP_RACM2( 3)\n & / 'API ', 16 /\n DATA CONV_FAC_RACM2( 3)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 4) , SPMH_MAP_RACM2( 4)\n & / 'pinene_b ', 4 /\n DATA MECH_NAM_RACM2( 4) , MECH_MAP_RACM2( 4)\n & / 'API ', 16 /\n DATA CONV_FAC_RACM2( 4)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 5) , SPMH_MAP_RACM2( 5)\n & / 'myrcene ', 5 /\n DATA MECH_NAM_RACM2( 5) , MECH_MAP_RACM2( 5)\n & / 'LIM ', 17 /\n DATA CONV_FAC_RACM2( 5)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 6) , SPMH_MAP_RACM2( 6)\n & / 'ocimene_al ', 6 /\n DATA MECH_NAM_RACM2( 6) , MECH_MAP_RACM2( 6)\n & / 'LIM ', 17 /\n DATA CONV_FAC_RACM2( 6)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 7) , SPMH_MAP_RACM2( 7)\n & / 'ocimene_c_b ', 7 /\n DATA MECH_NAM_RACM2( 7) , MECH_MAP_RACM2( 7)\n & / 'LIM ', 17 /\n DATA CONV_FAC_RACM2( 7)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 8) , SPMH_MAP_RACM2( 8)\n & / 'ocimene_t_b ', 8 /\n DATA MECH_NAM_RACM2( 8) , MECH_MAP_RACM2( 8)\n & / 'LIM ', 17 /\n DATA CONV_FAC_RACM2( 8)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 9) , SPMH_MAP_RACM2( 9)\n & / 'camphene ', 10 /\n DATA MECH_NAM_RACM2( 9) , MECH_MAP_RACM2( 9)\n & / 'API ', 16 /\n DATA CONV_FAC_RACM2( 9)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 10) , SPMH_MAP_RACM2( 10)\n & / 'bornene ', 9 /\n DATA MECH_NAM_RACM2( 10) , MECH_MAP_RACM2( 10)\n & / 'API ', 16 /\n DATA CONV_FAC_RACM2( 10)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 11) , SPMH_MAP_RACM2( 11)\n & / 'fenchene_a ', 12 /\n DATA MECH_NAM_RACM2( 11) , MECH_MAP_RACM2( 11)\n & / 'API ', 16 /\n DATA CONV_FAC_RACM2( 11)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 12) , SPMH_MAP_RACM2( 12)\n & / 'tricyclene ', 14 /\n DATA MECH_NAM_RACM2( 12) , MECH_MAP_RACM2( 12)\n & / 'API ', 16 /\n DATA CONV_FAC_RACM2( 12)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 13) , SPMH_MAP_RACM2( 13)\n & / 'carene_3 ', 11 /\n DATA MECH_NAM_RACM2( 13) , MECH_MAP_RACM2( 13)\n & / 'API ', 16 /\n DATA CONV_FAC_RACM2( 13)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 14) , SPMH_MAP_RACM2( 14)\n & / 'fenchene_b ', 13 /\n DATA MECH_NAM_RACM2( 14) , MECH_MAP_RACM2( 14)\n & / 'API ', 16 /\n DATA CONV_FAC_RACM2( 14)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 15) , SPMH_MAP_RACM2( 15)\n & / 'phellandrene_a ', 17 /\n DATA MECH_NAM_RACM2( 15) , MECH_MAP_RACM2( 15)\n & / 'LIM ', 17 /\n DATA CONV_FAC_RACM2( 15)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 16) , SPMH_MAP_RACM2( 16)\n & / 'terpinene_g ', 20 /\n DATA MECH_NAM_RACM2( 16) , MECH_MAP_RACM2( 16)\n & / 'LIM ', 17 /\n DATA CONV_FAC_RACM2( 16)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 17) , SPMH_MAP_RACM2( 17)\n & / 'terpinene_a ', 19 /\n DATA MECH_NAM_RACM2( 17) , MECH_MAP_RACM2( 17)\n & / 'LIM ', 17 /\n DATA CONV_FAC_RACM2( 17)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 18) , SPMH_MAP_RACM2( 18)\n & / 'limonene ', 15 /\n DATA MECH_NAM_RACM2( 18) , MECH_MAP_RACM2( 18)\n & / 'LIM ', 17 /\n DATA CONV_FAC_RACM2( 18)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 19) , SPMH_MAP_RACM2( 19)\n & / 'phellandrene_b ', 16 /\n DATA MECH_NAM_RACM2( 19) , MECH_MAP_RACM2( 19)\n & / 'LIM ', 17 /\n DATA CONV_FAC_RACM2( 19)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 20) , SPMH_MAP_RACM2( 20)\n & / 'terpinolene ', 21 /\n DATA MECH_NAM_RACM2( 20) , MECH_MAP_RACM2( 20)\n & / 'LIM ', 17 /\n DATA CONV_FAC_RACM2( 20)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 21) , SPMH_MAP_RACM2( 21)\n & / 'thujene_a ', 22 /\n DATA MECH_NAM_RACM2( 21) , MECH_MAP_RACM2( 21)\n & / 'API ', 16 /\n DATA CONV_FAC_RACM2( 21)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 22) , SPMH_MAP_RACM2( 22)\n & / 'sabinene ', 18 /\n DATA MECH_NAM_RACM2( 22) , MECH_MAP_RACM2( 22)\n & / 'API ', 16 /\n DATA CONV_FAC_RACM2( 22)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 23) , SPMH_MAP_RACM2( 23)\n & / 'verbenene ', 23 /\n DATA MECH_NAM_RACM2( 23) , MECH_MAP_RACM2( 23)\n & / 'LIM ', 17 /\n DATA CONV_FAC_RACM2( 23)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 24) , SPMH_MAP_RACM2( 24)\n & / 'cymene_p ', 25 /\n DATA MECH_NAM_RACM2( 24) , MECH_MAP_RACM2( 24)\n & / 'LIM ', 17 /\n DATA CONV_FAC_RACM2( 24)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 25) , SPMH_MAP_RACM2( 25)\n & / 'cymene_o ', 24 /\n DATA MECH_NAM_RACM2( 25) , MECH_MAP_RACM2( 25)\n & / 'LIM ', 17 /\n DATA CONV_FAC_RACM2( 25)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 26) , SPMH_MAP_RACM2( 26)\n & / 'meta-cymenene ', 26 /\n DATA MECH_NAM_RACM2( 26) , MECH_MAP_RACM2( 26)\n & / 'LIM ', 17 /\n DATA CONV_FAC_RACM2( 26)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 27) , SPMH_MAP_RACM2( 27)\n & / 'p-cymenene ', 27 /\n DATA MECH_NAM_RACM2( 27) , MECH_MAP_RACM2( 27)\n & / 'LIM ', 17 /\n DATA CONV_FAC_RACM2( 27)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 28) , SPMH_MAP_RACM2( 28)\n & / 'camphor ', 30 /\n DATA MECH_NAM_RACM2( 28) , MECH_MAP_RACM2( 28)\n & / 'API ', 16 /\n DATA CONV_FAC_RACM2( 28)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 29) , SPMH_MAP_RACM2( 29)\n & / 'bornyl_ACT ', 29 /\n DATA MECH_NAM_RACM2( 29) , MECH_MAP_RACM2( 29)\n & / 'API ', 16 /\n DATA CONV_FAC_RACM2( 29)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 30) , SPMH_MAP_RACM2( 30)\n & / 'piperitone ', 38 /\n DATA MECH_NAM_RACM2( 30) , MECH_MAP_RACM2( 30)\n & / 'API ', 16 /\n DATA CONV_FAC_RACM2( 30)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 31) , SPMH_MAP_RACM2( 31)\n & / 'terpineol_a ', 40 /\n DATA MECH_NAM_RACM2( 31) , MECH_MAP_RACM2( 31)\n & / 'API ', 16 /\n DATA CONV_FAC_RACM2( 31)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 32) , SPMH_MAP_RACM2( 32)\n & / 'octanol ', 36 /\n DATA MECH_NAM_RACM2( 32) , MECH_MAP_RACM2( 32)\n & / 'API ', 16 /\n DATA CONV_FAC_RACM2( 32)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 33) , SPMH_MAP_RACM2( 33)\n & / 'estragole ', 31 /\n DATA MECH_NAM_RACM2( 33) , MECH_MAP_RACM2( 33)\n & / 'LIM ', 17 /\n DATA CONV_FAC_RACM2( 33)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 34) , SPMH_MAP_RACM2( 34)\n & / 'borneol ', 28 /\n DATA MECH_NAM_RACM2( 34) , MECH_MAP_RACM2( 34)\n & / 'API ', 16 /\n DATA CONV_FAC_RACM2( 34)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 35) , SPMH_MAP_RACM2( 35)\n & / 'thujone_b ', 42 /\n DATA MECH_NAM_RACM2( 35) , MECH_MAP_RACM2( 35)\n & / 'API ', 16 /\n DATA CONV_FAC_RACM2( 35)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 36) , SPMH_MAP_RACM2( 36)\n & / 'thujone_a ', 41 /\n DATA MECH_NAM_RACM2( 36) , MECH_MAP_RACM2( 36)\n & / 'API ', 16 /\n DATA CONV_FAC_RACM2( 36)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 37) , SPMH_MAP_RACM2( 37)\n & / 'terpineol_4 ', 39 /\n DATA MECH_NAM_RACM2( 37) , MECH_MAP_RACM2( 37)\n & / 'API ', 16 /\n DATA CONV_FAC_RACM2( 37)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 38) , SPMH_MAP_RACM2( 38)\n & / 'myrtenal ', 35 /\n DATA MECH_NAM_RACM2( 38) , MECH_MAP_RACM2( 38)\n & / 'LIM ', 17 /\n DATA CONV_FAC_RACM2( 38)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 39) , SPMH_MAP_RACM2( 39)\n & / 'fenchone ', 32 /\n DATA MECH_NAM_RACM2( 39) , MECH_MAP_RACM2( 39)\n & / 'API ', 16 /\n DATA CONV_FAC_RACM2( 39)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 40) , SPMH_MAP_RACM2( 40)\n & / 'octenol_1e3ol ', 37 /\n DATA MECH_NAM_RACM2( 40) , MECH_MAP_RACM2( 40)\n & / 'LIM ', 17 /\n DATA CONV_FAC_RACM2( 40)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 41) , SPMH_MAP_RACM2( 41)\n & / 'ionone_b ', 33 /\n DATA MECH_NAM_RACM2( 41) , MECH_MAP_RACM2( 41)\n & / 'LIM ', 17 /\n DATA CONV_FAC_RACM2( 41)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 42) , SPMH_MAP_RACM2( 42)\n & / 'ipsenol ', 34 /\n DATA MECH_NAM_RACM2( 42) , MECH_MAP_RACM2( 42)\n & / 'LIM ', 17 /\n DATA CONV_FAC_RACM2( 42)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 43) , SPMH_MAP_RACM2( 43)\n & / 'caryophyllene_b ', 51 /\n DATA MECH_NAM_RACM2( 43) , MECH_MAP_RACM2( 43)\n & / 'SESQ ', 24 /\n DATA CONV_FAC_RACM2( 43)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 44) , SPMH_MAP_RACM2( 44)\n & / 'caryophyllene_c_i ', 52 /\n DATA MECH_NAM_RACM2( 44) , MECH_MAP_RACM2( 44)\n & / 'SESQ ', 24 /\n DATA CONV_FAC_RACM2( 44)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 45) , SPMH_MAP_RACM2( 45)\n & / 'cadinene_d ', 48 /\n DATA MECH_NAM_RACM2( 45) , MECH_MAP_RACM2( 45)\n & / 'SESQ ', 24 /\n DATA CONV_FAC_RACM2( 45)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 46) , SPMH_MAP_RACM2( 46)\n & / 'cadinene_d ', 48 /\n DATA MECH_NAM_RACM2( 46) , MECH_MAP_RACM2( 46)\n & / 'SESQ ', 24 /\n DATA CONV_FAC_RACM2( 46)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 47) , SPMH_MAP_RACM2( 47)\n & / 'bisabolene_b ', 47 /\n DATA MECH_NAM_RACM2( 47) , MECH_MAP_RACM2( 47)\n & / 'SESQ ', 24 /\n DATA CONV_FAC_RACM2( 47)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 48) , SPMH_MAP_RACM2( 48)\n & / 'farnescene_a ', 54 /\n DATA MECH_NAM_RACM2( 48) , MECH_MAP_RACM2( 48)\n & / 'SESQ ', 24 /\n DATA CONV_FAC_RACM2( 48)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 49) , SPMH_MAP_RACM2( 49)\n & / 'patchoulene_b ', 65 /\n DATA MECH_NAM_RACM2( 49) , MECH_MAP_RACM2( 49)\n & / 'SESQ ', 24 /\n DATA CONV_FAC_RACM2( 49)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 50) , SPMH_MAP_RACM2( 50)\n & / 'elemene_b ', 53 /\n DATA MECH_NAM_RACM2( 50) , MECH_MAP_RACM2( 50)\n & / 'SESQ ', 24 /\n DATA CONV_FAC_RACM2( 50)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 51) , SPMH_MAP_RACM2( 51)\n & / 'nerolidol_c ', 63 /\n DATA MECH_NAM_RACM2( 51) , MECH_MAP_RACM2( 51)\n & / 'SESQ ', 24 /\n DATA CONV_FAC_RACM2( 51)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 52) , SPMH_MAP_RACM2( 52)\n & / 'farnesol ', 56 /\n DATA MECH_NAM_RACM2( 52) , MECH_MAP_RACM2( 52)\n & / 'SESQ ', 24 /\n DATA CONV_FAC_RACM2( 52)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 53) , SPMH_MAP_RACM2( 53)\n & / 'humulene_a ', 59 /\n DATA MECH_NAM_RACM2( 53) , MECH_MAP_RACM2( 53)\n & / 'SESQ ', 24 /\n DATA CONV_FAC_RACM2( 53)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 54) , SPMH_MAP_RACM2( 54)\n & / 'muurolene_a ', 61 /\n DATA MECH_NAM_RACM2( 54) , MECH_MAP_RACM2( 54)\n & / 'SESQ ', 24 /\n DATA CONV_FAC_RACM2( 54)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 55) , SPMH_MAP_RACM2( 55)\n & / 'bergamotene_a ', 44 /\n DATA MECH_NAM_RACM2( 55) , MECH_MAP_RACM2( 55)\n & / 'SESQ ', 24 /\n DATA CONV_FAC_RACM2( 55)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 56) , SPMH_MAP_RACM2( 56)\n & / 'germacrene_B ', 57 /\n DATA MECH_NAM_RACM2( 56) , MECH_MAP_RACM2( 56)\n & / 'SESQ ', 24 /\n DATA CONV_FAC_RACM2( 56)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 57) , SPMH_MAP_RACM2( 57)\n & / 'selinene_b ', 66 /\n DATA MECH_NAM_RACM2( 57) , MECH_MAP_RACM2( 57)\n & / 'SESQ ', 24 /\n DATA CONV_FAC_RACM2( 57)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 58) , SPMH_MAP_RACM2( 58)\n & / 'calarene ', 50 /\n DATA MECH_NAM_RACM2( 58) , MECH_MAP_RACM2( 58)\n & / 'SESQ ', 24 /\n DATA CONV_FAC_RACM2( 58)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 59) , SPMH_MAP_RACM2( 59)\n & / 'farnescene_b ', 55 /\n DATA MECH_NAM_RACM2( 59) , MECH_MAP_RACM2( 59)\n & / 'SESQ ', 24 /\n DATA CONV_FAC_RACM2( 59)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 60) , SPMH_MAP_RACM2( 60)\n & / 'acoradiene ', 43 /\n DATA MECH_NAM_RACM2( 60) , MECH_MAP_RACM2( 60)\n & / 'SESQ ', 24 /\n DATA CONV_FAC_RACM2( 60)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 61) , SPMH_MAP_RACM2( 61)\n & / 'humulene_g ', 60 /\n DATA MECH_NAM_RACM2( 61) , MECH_MAP_RACM2( 61)\n & / 'SESQ ', 24 /\n DATA CONV_FAC_RACM2( 61)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 62) , SPMH_MAP_RACM2( 62)\n & / 'muurolene_g ', 62 /\n DATA MECH_NAM_RACM2( 62) , MECH_MAP_RACM2( 62)\n & / 'SESQ ', 24 /\n DATA CONV_FAC_RACM2( 62)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 63) , SPMH_MAP_RACM2( 63)\n & / 'germacrene_D ', 58 /\n DATA MECH_NAM_RACM2( 63) , MECH_MAP_RACM2( 63)\n & / 'SESQ ', 24 /\n DATA CONV_FAC_RACM2( 63)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 64) , SPMH_MAP_RACM2( 64)\n & / 'cadinene_g ', 49 /\n DATA MECH_NAM_RACM2( 64) , MECH_MAP_RACM2( 64)\n & / 'SESQ ', 24 /\n DATA CONV_FAC_RACM2( 64)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 65) , SPMH_MAP_RACM2( 65)\n & / 'nerolidol_t ', 64 /\n DATA MECH_NAM_RACM2( 65) , MECH_MAP_RACM2( 65)\n & / 'SESQ ', 24 /\n DATA CONV_FAC_RACM2( 65)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 66) , SPMH_MAP_RACM2( 66)\n & / 'bergamotene_b ', 45 /\n DATA MECH_NAM_RACM2( 66) , MECH_MAP_RACM2( 66)\n & / 'SESQ ', 24 /\n DATA CONV_FAC_RACM2( 66)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 67) , SPMH_MAP_RACM2( 67)\n & / 'bisabolene_a ', 46 /\n DATA MECH_NAM_RACM2( 67) , MECH_MAP_RACM2( 67)\n & / 'SESQ ', 24 /\n DATA CONV_FAC_RACM2( 67)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 68) , SPMH_MAP_RACM2( 68)\n & / 'cedrol ', 73 /\n DATA MECH_NAM_RACM2( 68) , MECH_MAP_RACM2( 68)\n & / 'SESQ ', 24 /\n DATA CONV_FAC_RACM2( 68)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 69) , SPMH_MAP_RACM2( 69)\n & / 'homosalate ', 78 /\n DATA MECH_NAM_RACM2( 69) , MECH_MAP_RACM2( 69)\n & / 'SESQ ', 24 /\n DATA CONV_FAC_RACM2( 69)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 70) , SPMH_MAP_RACM2( 70)\n & / '2ethyl_hexyl_salate ', 68 /\n DATA MECH_NAM_RACM2( 70) , MECH_MAP_RACM2( 70)\n & / 'SESQ ', 24 /\n DATA CONV_FAC_RACM2( 70)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 71) , SPMH_MAP_RACM2( 71)\n & / 'cedrene_a ', 72 /\n DATA MECH_NAM_RACM2( 71) , MECH_MAP_RACM2( 71)\n & / 'SESQ ', 24 /\n DATA CONV_FAC_RACM2( 71)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 72) , SPMH_MAP_RACM2( 72)\n & / 'thujopsene ', 83 /\n DATA MECH_NAM_RACM2( 72) , MECH_MAP_RACM2( 72)\n & / 'SESQ ', 24 /\n DATA CONV_FAC_RACM2( 72)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 73) , SPMH_MAP_RACM2( 73)\n & / 'longifolene ', 81 /\n DATA MECH_NAM_RACM2( 73) , MECH_MAP_RACM2( 73)\n & / 'SESQ ', 24 /\n DATA CONV_FAC_RACM2( 73)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 74) , SPMH_MAP_RACM2( 74)\n & / 'cadinol_a ', 71 /\n DATA MECH_NAM_RACM2( 74) , MECH_MAP_RACM2( 74)\n & / 'SESQ ', 24 /\n DATA CONV_FAC_RACM2( 74)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 75) , SPMH_MAP_RACM2( 75)\n & / 'zingiberene_a ', 85 /\n DATA MECH_NAM_RACM2( 75) , MECH_MAP_RACM2( 75)\n & / 'SESQ ', 24 /\n DATA CONV_FAC_RACM2( 75)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 76) , SPMH_MAP_RACM2( 76)\n & / 'isolongifolene ', 79 /\n DATA MECH_NAM_RACM2( 76) , MECH_MAP_RACM2( 76)\n & / 'SESQ ', 24 /\n DATA CONV_FAC_RACM2( 76)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 77) , SPMH_MAP_RACM2( 77)\n & / 'longicyclene ', 87 /\n DATA MECH_NAM_RACM2( 77) , MECH_MAP_RACM2( 77)\n & / 'SESQ ', 24 /\n DATA CONV_FAC_RACM2( 77)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 78) , SPMH_MAP_RACM2( 78)\n & / 'copaene_a ', 74 /\n DATA MECH_NAM_RACM2( 78) , MECH_MAP_RACM2( 78)\n & / 'SESQ ', 24 /\n DATA CONV_FAC_RACM2( 78)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 79) , SPMH_MAP_RACM2( 79)\n & / 'bourbonene_b ', 70 /\n DATA MECH_NAM_RACM2( 79) , MECH_MAP_RACM2( 79)\n & / 'SESQ ', 24 /\n DATA CONV_FAC_RACM2( 79)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 80) , SPMH_MAP_RACM2( 80)\n & / 'longipinene ', 82 /\n DATA MECH_NAM_RACM2( 80) , MECH_MAP_RACM2( 80)\n & / 'SESQ ', 24 /\n DATA CONV_FAC_RACM2( 80)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 81) , SPMH_MAP_RACM2( 81)\n & / 'cubebene_b ', 76 /\n DATA MECH_NAM_RACM2( 81) , MECH_MAP_RACM2( 81)\n & / 'SESQ ', 24 /\n DATA CONV_FAC_RACM2( 81)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 82) , SPMH_MAP_RACM2( 82)\n & / 'ylangene_a ', 84 /\n DATA MECH_NAM_RACM2( 82) , MECH_MAP_RACM2( 82)\n & / 'SESQ ', 24 /\n DATA CONV_FAC_RACM2( 82)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 83) , SPMH_MAP_RACM2( 83)\n & / 'cubebene_a ', 75 /\n DATA MECH_NAM_RACM2( 83) , MECH_MAP_RACM2( 83)\n & / 'SESQ ', 24 /\n DATA CONV_FAC_RACM2( 83)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 84) , SPMH_MAP_RACM2( 84)\n & / 'copaene_b ', 86 /\n DATA MECH_NAM_RACM2( 84) , MECH_MAP_RACM2( 84)\n & / 'SESQ ', 24 /\n DATA CONV_FAC_RACM2( 84)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 85) , SPMH_MAP_RACM2( 85)\n & / 'kaur_16_ene ', 80 /\n DATA MECH_NAM_RACM2( 85) , MECH_MAP_RACM2( 85)\n & / 'SESQ ', 24 /\n DATA CONV_FAC_RACM2( 85)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 86) , SPMH_MAP_RACM2( 86)\n & / 'gurjunene_b ', 77 /\n DATA MECH_NAM_RACM2( 86) , MECH_MAP_RACM2( 86)\n & / 'SESQ ', 24 /\n DATA CONV_FAC_RACM2( 86)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 87) , SPMH_MAP_RACM2( 87)\n & / 'aromadendrene ', 69 /\n DATA MECH_NAM_RACM2( 87) , MECH_MAP_RACM2( 87)\n & / 'SESQ ', 24 /\n DATA CONV_FAC_RACM2( 87)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 88) , SPMH_MAP_RACM2( 88)\n & / 'methanol ', 88 /\n DATA MECH_NAM_RACM2( 88) , MECH_MAP_RACM2( 88)\n & / 'MOH ', 25 /\n DATA CONV_FAC_RACM2( 88)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 89) , SPMH_MAP_RACM2( 89)\n & / 'acetone ', 89 /\n DATA MECH_NAM_RACM2( 89) , MECH_MAP_RACM2( 89)\n & / 'ACT ', 26 /\n DATA CONV_FAC_RACM2( 89)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 90) , SPMH_MAP_RACM2( 90)\n & / 'ethanol ', 91 /\n DATA MECH_NAM_RACM2( 90) , MECH_MAP_RACM2( 90)\n & / 'EOH ', 27 /\n DATA CONV_FAC_RACM2( 90)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 91) , SPMH_MAP_RACM2( 91)\n & / 'acetaldehyde ', 90 /\n DATA MECH_NAM_RACM2( 91) , MECH_MAP_RACM2( 91)\n & / 'ACD ', 28 /\n DATA CONV_FAC_RACM2( 91)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 92) , SPMH_MAP_RACM2( 92)\n & / 'formic_acid ', 93 /\n DATA MECH_NAM_RACM2( 92) , MECH_MAP_RACM2( 92)\n & / 'ORA1 ', 14 /\n DATA CONV_FAC_RACM2( 92)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 93) , SPMH_MAP_RACM2( 93)\n & / 'acetic_acid ', 92 /\n DATA MECH_NAM_RACM2( 93) , MECH_MAP_RACM2( 93)\n & / 'ORA2 ', 15 /\n DATA CONV_FAC_RACM2( 93)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 94) , SPMH_MAP_RACM2( 94)\n & / 'ethane ', 100 /\n DATA MECH_NAM_RACM2( 94) , MECH_MAP_RACM2( 94)\n & / 'ETH ', 3 /\n DATA CONV_FAC_RACM2( 94)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 95) , SPMH_MAP_RACM2( 95)\n & / 'ethene ', 101 /\n DATA MECH_NAM_RACM2( 95) , MECH_MAP_RACM2( 95)\n & / 'ETE ', 29 /\n DATA CONV_FAC_RACM2( 95)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 96) , SPMH_MAP_RACM2( 96)\n & / 'propane ', 102 /\n DATA MECH_NAM_RACM2( 96) , MECH_MAP_RACM2( 96)\n & / 'HC3 ', 4 /\n DATA CONV_FAC_RACM2( 96)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 97) , SPMH_MAP_RACM2( 97)\n & / 'butene ', 97 /\n DATA MECH_NAM_RACM2( 97) , MECH_MAP_RACM2( 97)\n & / 'OLT ', 9 /\n DATA CONV_FAC_RACM2( 97)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 98) , SPMH_MAP_RACM2( 98)\n & / 'propene ', 103 /\n DATA MECH_NAM_RACM2( 98) , MECH_MAP_RACM2( 98)\n & / 'OLT ', 9 /\n DATA CONV_FAC_RACM2( 98)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 99) , SPMH_MAP_RACM2( 99)\n & / '2_methylprop_1_ene ', 95 /\n DATA MECH_NAM_RACM2( 99) , MECH_MAP_RACM2( 99)\n & / 'OLT ', 9 /\n DATA CONV_FAC_RACM2( 99)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 100) , SPMH_MAP_RACM2( 100)\n & / 'butene_c2 ', 98 /\n DATA MECH_NAM_RACM2( 100) , MECH_MAP_RACM2( 100)\n & / 'OLI ', 8 /\n DATA CONV_FAC_RACM2( 100)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 101) , SPMH_MAP_RACM2( 101)\n & / 'butene_t2 ', 99 /\n DATA MECH_NAM_RACM2( 101) , MECH_MAP_RACM2( 101)\n & / 'OLI ', 8 /\n DATA CONV_FAC_RACM2( 101)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 102) , SPMH_MAP_RACM2( 102)\n & / 'formaldehyde ', 113 /\n DATA MECH_NAM_RACM2( 102) , MECH_MAP_RACM2( 102)\n & / 'HCHO ', 13 /\n DATA CONV_FAC_RACM2( 102)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 103) , SPMH_MAP_RACM2( 103)\n & / 'met_heptenone ', 106 /\n DATA MECH_NAM_RACM2( 103) , MECH_MAP_RACM2( 103)\n & / 'MACR ', 32 /\n DATA CONV_FAC_RACM2( 103)\n & / 0.5 /\n \n DATA SPMH_NAM_RACM2( 104) , SPMH_MAP_RACM2( 104)\n & / 'met_heptenone ', 106 /\n DATA MECH_NAM_RACM2( 104) , MECH_MAP_RACM2( 104)\n & / 'MVK ', 30 /\n DATA CONV_FAC_RACM2( 104)\n & / 0.5 /\n \n DATA SPMH_NAM_RACM2( 105) , SPMH_MAP_RACM2( 105)\n & / 'oxopentanal ', 114 /\n DATA MECH_NAM_RACM2( 105) , MECH_MAP_RACM2( 105)\n & / 'MACR ', 32 /\n DATA CONV_FAC_RACM2( 105)\n & / 0.5 /\n \n DATA SPMH_NAM_RACM2( 106) , SPMH_MAP_RACM2( 106)\n & / 'oxopentanal ', 114 /\n DATA MECH_NAM_RACM2( 106) , MECH_MAP_RACM2( 106)\n & / 'MVK ', 30 /\n DATA CONV_FAC_RACM2( 106)\n & / 0.5 /\n \n DATA SPMH_NAM_RACM2( 107) , SPMH_MAP_RACM2( 107)\n & / 'geranyl_acetone ', 105 /\n DATA MECH_NAM_RACM2( 107) , MECH_MAP_RACM2( 107)\n & / 'MACR ', 32 /\n DATA CONV_FAC_RACM2( 107)\n & / 0.5 /\n \n DATA SPMH_NAM_RACM2( 108) , SPMH_MAP_RACM2( 108)\n & / 'geranyl_acetone ', 105 /\n DATA MECH_NAM_RACM2( 108) , MECH_MAP_RACM2( 108)\n & / 'MVK ', 30 /\n DATA CONV_FAC_RACM2( 108)\n & / 0.5 /\n \n DATA SPMH_NAM_RACM2( 109) , SPMH_MAP_RACM2( 109)\n & / 'hexanal ', 141 /\n DATA MECH_NAM_RACM2( 109) , MECH_MAP_RACM2( 109)\n & / 'MACR ', 32 /\n DATA CONV_FAC_RACM2( 109)\n & / 0.5 /\n \n DATA SPMH_NAM_RACM2( 110) , SPMH_MAP_RACM2( 110)\n & / 'hexanal ', 141 /\n DATA MECH_NAM_RACM2( 110) , MECH_MAP_RACM2( 110)\n & / 'MVK ', 30 /\n DATA CONV_FAC_RACM2( 110)\n & / 0.5 /\n \n DATA SPMH_NAM_RACM2( 111) , SPMH_MAP_RACM2( 111)\n & / 'hydrogen_cyanide ', 147 /\n DATA MECH_NAM_RACM2( 111) , MECH_MAP_RACM2( 111)\n & / 'HCN ', 31 /\n DATA CONV_FAC_RACM2( 111)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 112) , SPMH_MAP_RACM2( 112)\n & / 'linalool ', 150 /\n DATA MECH_NAM_RACM2( 112) , MECH_MAP_RACM2( 112)\n & / 'MACR ', 32 /\n DATA CONV_FAC_RACM2( 112)\n & / 0. /\n \n DATA SPMH_NAM_RACM2( 113) , SPMH_MAP_RACM2( 113)\n & / 'linalool ', 150 /\n DATA MECH_NAM_RACM2( 113) , MECH_MAP_RACM2( 113)\n & / 'OLI ', 1 /\n DATA CONV_FAC_RACM2( 113)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 114) , SPMH_MAP_RACM2( 114)\n & / 'methacrolein ', 153 /\n DATA MECH_NAM_RACM2( 114) , MECH_MAP_RACM2( 114)\n & / 'MACR ', 32 /\n DATA CONV_FAC_RACM2( 114)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 115) , SPMH_MAP_RACM2( 115)\n & / 'met_vinylketone ', 158 /\n DATA MECH_NAM_RACM2( 115) , MECH_MAP_RACM2( 115)\n & / 'MVK ', 30 /\n DATA CONV_FAC_RACM2( 115)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 116) , SPMH_MAP_RACM2( 116)\n & / 'hexanol_1 ', 142 /\n DATA MECH_NAM_RACM2( 116) , MECH_MAP_RACM2( 116)\n & / 'MACR ', 32 /\n DATA CONV_FAC_RACM2( 116)\n & / 0.5 /\n \n DATA SPMH_NAM_RACM2( 117) , SPMH_MAP_RACM2( 117)\n & / 'hexanol_1 ', 142 /\n DATA MECH_NAM_RACM2( 117) , MECH_MAP_RACM2( 117)\n & / 'MVK ', 30 /\n DATA CONV_FAC_RACM2( 117)\n & / 0.5 /\n \n DATA SPMH_NAM_RACM2( 118) , SPMH_MAP_RACM2( 118)\n & / 'met_salicylate ', 156 /\n DATA MECH_NAM_RACM2( 118) , MECH_MAP_RACM2( 118)\n & / 'MACR ', 32 /\n DATA CONV_FAC_RACM2( 118)\n & / 0.5 /\n \n DATA SPMH_NAM_RACM2( 119) , SPMH_MAP_RACM2( 119)\n & / 'met_salicylate ', 156 /\n DATA MECH_NAM_RACM2( 119) , MECH_MAP_RACM2( 119)\n & / 'MVK ', 30 /\n DATA CONV_FAC_RACM2( 119)\n & / 0.5 /\n \n DATA SPMH_NAM_RACM2( 120) , SPMH_MAP_RACM2( 120)\n & / 'cineole_1_8 ', 133 /\n DATA MECH_NAM_RACM2( 120) , MECH_MAP_RACM2( 120)\n & / 'MACR ', 32 /\n DATA CONV_FAC_RACM2( 120)\n & / 0.5 /\n \n DATA SPMH_NAM_RACM2( 121) , SPMH_MAP_RACM2( 121)\n & / 'cineole_1_8 ', 133 /\n DATA MECH_NAM_RACM2( 121) , MECH_MAP_RACM2( 121)\n & / 'MVK ', 30 /\n DATA CONV_FAC_RACM2( 121)\n & / 0.5 /\n \n DATA SPMH_NAM_RACM2( 122) , SPMH_MAP_RACM2( 122)\n & / 'hexenal_t2 ', 144 /\n DATA MECH_NAM_RACM2( 122) , MECH_MAP_RACM2( 122)\n & / 'MACR ', 32 /\n DATA CONV_FAC_RACM2( 122)\n & / 0.5 /\n \n DATA SPMH_NAM_RACM2( 123) , SPMH_MAP_RACM2( 123)\n & / 'hexenal_t2 ', 144 /\n DATA MECH_NAM_RACM2( 123) , MECH_MAP_RACM2( 123)\n & / 'MVK ', 30 /\n DATA CONV_FAC_RACM2( 123)\n & / 0.5 /\n \n DATA SPMH_NAM_RACM2( 124) , SPMH_MAP_RACM2( 124)\n & / 'hexenol_c3 ', 145 /\n DATA MECH_NAM_RACM2( 124) , MECH_MAP_RACM2( 124)\n & / 'MACR ', 32 /\n DATA CONV_FAC_RACM2( 124)\n & / 0.5 /\n \n DATA SPMH_NAM_RACM2( 125) , SPMH_MAP_RACM2( 125)\n & / 'hexenol_c3 ', 145 /\n DATA MECH_NAM_RACM2( 125) , MECH_MAP_RACM2( 125)\n & / 'MVK ', 30 /\n DATA CONV_FAC_RACM2( 125)\n & / 0.5 /\n \n DATA SPMH_NAM_RACM2( 126) , SPMH_MAP_RACM2( 126)\n & / 'hexenyl_ACT_c3 ', 146 /\n DATA MECH_NAM_RACM2( 126) , MECH_MAP_RACM2( 126)\n & / 'MACR ', 32 /\n DATA CONV_FAC_RACM2( 126)\n & / 0.5 /\n \n DATA SPMH_NAM_RACM2( 127) , SPMH_MAP_RACM2( 127)\n & / 'hexenyl_ACT_c3 ', 146 /\n DATA MECH_NAM_RACM2( 127) , MECH_MAP_RACM2( 127)\n & / 'MVK ', 30 /\n DATA CONV_FAC_RACM2( 127)\n & / 0.5 /\n \n DATA SPMH_NAM_RACM2( 128) , SPMH_MAP_RACM2( 128)\n & / 'hexenal_c3 ', 143 /\n DATA MECH_NAM_RACM2( 128) , MECH_MAP_RACM2( 128)\n & / 'MACR ', 32 /\n DATA CONV_FAC_RACM2( 128)\n & / 0.5 /\n \n DATA SPMH_NAM_RACM2( 129) , SPMH_MAP_RACM2( 129)\n & / 'hexenal_c3 ', 143 /\n DATA MECH_NAM_RACM2( 129) , MECH_MAP_RACM2( 129)\n & / 'MVK ', 30 /\n DATA CONV_FAC_RACM2( 129)\n & / 0.5 /\n \n DATA SPMH_NAM_RACM2( 130) , SPMH_MAP_RACM2( 130)\n & / '2met_nonatriene ', 137 /\n DATA MECH_NAM_RACM2( 130) , MECH_MAP_RACM2( 130)\n & / 'MACR ', 32 /\n DATA CONV_FAC_RACM2( 130)\n & / 0.5 /\n \n DATA SPMH_NAM_RACM2( 131) , SPMH_MAP_RACM2( 131)\n & / '2met_nonatriene ', 137 /\n DATA MECH_NAM_RACM2( 131) , MECH_MAP_RACM2( 131)\n & / 'MVK ', 30 /\n DATA CONV_FAC_RACM2( 131)\n & / 0.5 /\n \n DATA SPMH_NAM_RACM2( 132) , SPMH_MAP_RACM2( 132)\n & / 'methane ', 184 /\n DATA MECH_NAM_RACM2( 132) , MECH_MAP_RACM2( 132)\n & / 'CH4 ', 2 /\n DATA CONV_FAC_RACM2( 132)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 133) , SPMH_MAP_RACM2( 133)\n & / 'met_bromide ', 185 /\n DATA MECH_NAM_RACM2( 133) , MECH_MAP_RACM2( 133)\n & / 'CH3BR ', 33 /\n DATA CONV_FAC_RACM2( 133)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 134) , SPMH_MAP_RACM2( 134)\n & / 'met_chloride ', 186 /\n DATA MECH_NAM_RACM2( 134) , MECH_MAP_RACM2( 134)\n & / 'CH3CL ', 34 /\n DATA CONV_FAC_RACM2( 134)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 135) , SPMH_MAP_RACM2( 135)\n & / 'met_iodide ', 187 /\n DATA MECH_NAM_RACM2( 135) , MECH_MAP_RACM2( 135)\n & / 'CH3I ', 35 /\n DATA CONV_FAC_RACM2( 135)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 136) , SPMH_MAP_RACM2( 136)\n & / 'met_mercaptan ', 188 /\n DATA MECH_NAM_RACM2( 136) , MECH_MAP_RACM2( 136)\n & / 'TRS ', 36 /\n DATA CONV_FAC_RACM2( 136)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 137) , SPMH_MAP_RACM2( 137)\n & / 'carbon_2s ', 171 /\n DATA MECH_NAM_RACM2( 137) , MECH_MAP_RACM2( 137)\n & / 'TRS ', 36 /\n DATA CONV_FAC_RACM2( 137)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 138) , SPMH_MAP_RACM2( 138)\n & / '2met_s ', 176 /\n DATA MECH_NAM_RACM2( 138) , MECH_MAP_RACM2( 138)\n & / 'TRS ', 36 /\n DATA CONV_FAC_RACM2( 138)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 139) , SPMH_MAP_RACM2( 139)\n & / 'butanone_2 ', 170 /\n DATA MECH_NAM_RACM2( 139) , MECH_MAP_RACM2( 139)\n & / 'MACR ', 32 /\n DATA CONV_FAC_RACM2( 139)\n & / 0.5 /\n \n DATA SPMH_NAM_RACM2( 140) , SPMH_MAP_RACM2( 140)\n & / 'butanone_2 ', 170 /\n DATA MECH_NAM_RACM2( 140) , MECH_MAP_RACM2( 140)\n & / 'MVK ', 30 /\n DATA CONV_FAC_RACM2( 140)\n & / 0.5 /\n \n DATA SPMH_NAM_RACM2( 141) , SPMH_MAP_RACM2( 141)\n & / 'terpinyl_ACT_a ', 197 /\n DATA MECH_NAM_RACM2( 141) , MECH_MAP_RACM2( 141)\n & / 'MACR ', 32 /\n DATA CONV_FAC_RACM2( 141)\n & / 0.5 /\n \n DATA SPMH_NAM_RACM2( 142) , SPMH_MAP_RACM2( 142)\n & / 'terpinyl_ACT_a ', 197 /\n DATA MECH_NAM_RACM2( 142) , MECH_MAP_RACM2( 142)\n & / 'MVK ', 30 /\n DATA CONV_FAC_RACM2( 142)\n & / 0.5 /\n \n DATA SPMH_NAM_RACM2( 143) , SPMH_MAP_RACM2( 143)\n & / 'pentane ', 193 /\n DATA MECH_NAM_RACM2( 143) , MECH_MAP_RACM2( 143)\n & / 'HC5 ', 5 /\n DATA CONV_FAC_RACM2( 143)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 144) , SPMH_MAP_RACM2( 144)\n & / 'hexane ', 181 /\n DATA MECH_NAM_RACM2( 144) , MECH_MAP_RACM2( 144)\n & / 'HC5 ', 5 /\n DATA CONV_FAC_RACM2( 144)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 145) , SPMH_MAP_RACM2( 145)\n & / 'decane ', 173 /\n DATA MECH_NAM_RACM2( 145) , MECH_MAP_RACM2( 145)\n & / 'HC8 ', 6 /\n DATA CONV_FAC_RACM2( 145)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 146) , SPMH_MAP_RACM2( 146)\n & / 'heptane ', 179 /\n DATA MECH_NAM_RACM2( 146) , MECH_MAP_RACM2( 146)\n & / 'HC8 ', 6 /\n DATA CONV_FAC_RACM2( 146)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 147) , SPMH_MAP_RACM2( 147)\n & / 'carbonyl_s ', 172 /\n DATA MECH_NAM_RACM2( 147) , MECH_MAP_RACM2( 147)\n & / 'TRS ', 36 /\n DATA CONV_FAC_RACM2( 147)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 148) , SPMH_MAP_RACM2( 148)\n & / '2met_2s ', 175 /\n DATA MECH_NAM_RACM2( 148) , MECH_MAP_RACM2( 148)\n & / 'TRS ', 36 /\n DATA CONV_FAC_RACM2( 148)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 149) , SPMH_MAP_RACM2( 149)\n & / 'undecane ', 199 /\n DATA MECH_NAM_RACM2( 149) , MECH_MAP_RACM2( 149)\n & / 'HC8 ', 6 /\n DATA CONV_FAC_RACM2( 149)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 150) , SPMH_MAP_RACM2( 150)\n & / 'tetradecene_1 ', 198 /\n DATA MECH_NAM_RACM2( 150) , MECH_MAP_RACM2( 150)\n & / 'HC8 ', 6 /\n DATA CONV_FAC_RACM2( 150)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 151) , SPMH_MAP_RACM2( 151)\n & / 'diallyl_2s ', 174 /\n DATA MECH_NAM_RACM2( 151) , MECH_MAP_RACM2( 151)\n & / 'TRS ', 36 /\n DATA CONV_FAC_RACM2( 151)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 152) , SPMH_MAP_RACM2( 152)\n & / 'PPPP_2s ', 194 /\n DATA MECH_NAM_RACM2( 152) , MECH_MAP_RACM2( 152)\n & / 'TRS ', 36 /\n DATA CONV_FAC_RACM2( 152)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 153) , SPMH_MAP_RACM2( 153)\n & / 'met_propenyl_2s ', 189 /\n DATA MECH_NAM_RACM2( 153) , MECH_MAP_RACM2( 153)\n & / 'TRS ', 36 /\n DATA CONV_FAC_RACM2( 153)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 154) , SPMH_MAP_RACM2( 154)\n & / 'hydrogen_s ', 182 /\n DATA MECH_NAM_RACM2( 154) , MECH_MAP_RACM2( 154)\n & / 'TRS ', 36 /\n DATA CONV_FAC_RACM2( 154)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 155) , SPMH_MAP_RACM2( 155)\n & / 'carbon_monoxide ', 200 /\n DATA MECH_NAM_RACM2( 155) , MECH_MAP_RACM2( 155)\n & / 'CO ', 18 /\n DATA CONV_FAC_RACM2( 155)\n & / 1 /\n \n DATA SPMH_NAM_RACM2( 156) , SPMH_MAP_RACM2( 156)\n & / 'nitric_OXD ', 201 /\n DATA MECH_NAM_RACM2( 156) , MECH_MAP_RACM2( 156)\n & / 'NO ', 20 /\n DATA CONV_FAC_RACM2( 156)\n & / 1 /\n \n" }, { "path": "CCTM/src/biog/megan3/MAP_CV2SAPRC07.EXT", "content": "C=======================================================================\nC MAP_CV2SAPRC07.EXT\nC This include file contains conversion table for 201 speciated species\nC to SAPRC07 (CMAQ/CAMx) species\nC\nC\nC MEGAN v3\nC\nC History:\nC Who When What\nC ---------------------------------------------------------------------\nC Tan 07/18/11 - Created for MEGANv2.10\nC Ling Huang 06/13/17 - Updated for MEGANv3\nC=======================================================================\n\n CHARACTER*16 MAP_SAPRC07MECH\n PARAMETER (MAP_SAPRC07MECH = 'SAPRC07 ')\n\n INTEGER N_SAPRC07\n PARAMETER (N_SAPRC07 = (144)) ! Number of map species\n\n CHARACTER*16 SPMH_NAM_SAPRC07( N_SAPRC07 ) ! speciated species name\n INTEGER SPMH_MAP_SAPRC07( N_SAPRC07 ) ! speciated species name\n ! mapped to SPC_SPCAT.EXT\n CHARACTER*16 MECH_NAM_SAPRC07( N_SAPRC07 ) ! mechanism species\n INTEGER MECH_MAP_SAPRC07( N_SAPRC07 ) ! mechanism species mapped\n\n REAL CONV_FAC_SAPRC07( N_SAPRC07 ) ! conversion factor\n\n \n DATA SPMH_NAM_SAPRC07( 1) , SPMH_MAP_SAPRC07( 1)\n & / 'isoprene ', 1 /\n DATA MECH_NAM_SAPRC07( 1) , MECH_MAP_SAPRC07( 1)\n & / 'ISOP ', 10 /\n DATA CONV_FAC_SAPRC07( 1)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 2) , SPMH_MAP_SAPRC07( 2)\n & / 'MBO_2m3e2ol ', 2 /\n DATA MECH_NAM_SAPRC07( 2) , MECH_MAP_SAPRC07( 2)\n & / 'OLE2 ', 9 /\n DATA CONV_FAC_SAPRC07( 2)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 3) , SPMH_MAP_SAPRC07( 3)\n & / 'pinene_a ', 3 /\n DATA MECH_NAM_SAPRC07( 3) , MECH_MAP_SAPRC07( 3)\n & / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07( 3)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 4) , SPMH_MAP_SAPRC07( 4)\n & / 'pinene_b ', 4 /\n DATA MECH_NAM_SAPRC07( 4) , MECH_MAP_SAPRC07( 4)\n & / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07( 4)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 5) , SPMH_MAP_SAPRC07( 5)\n & / 'myrcene ', 5 /\n DATA MECH_NAM_SAPRC07( 5) , MECH_MAP_SAPRC07( 5)\n & / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07( 5)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 6) , SPMH_MAP_SAPRC07( 6)\n & / 'ocimene_al ', 6 /\n DATA MECH_NAM_SAPRC07( 6) , MECH_MAP_SAPRC07( 6)\n & / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07( 6)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 7) , SPMH_MAP_SAPRC07( 7)\n & / 'ocimene_c_b ', 7 /\n DATA MECH_NAM_SAPRC07( 7) , MECH_MAP_SAPRC07( 7)\n & / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07( 7)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 8) , SPMH_MAP_SAPRC07( 8)\n & / 'ocimene_t_b ', 8 /\n DATA MECH_NAM_SAPRC07( 8) , MECH_MAP_SAPRC07( 8)\n & / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07( 8)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 9) , SPMH_MAP_SAPRC07( 9)\n & / 'camphene ', 10 /\n DATA MECH_NAM_SAPRC07( 9) , MECH_MAP_SAPRC07( 9)\n & / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07( 9)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 10) , SPMH_MAP_SAPRC07( 10)\n & / 'bornene ', 9 /\n DATA MECH_NAM_SAPRC07( 10) , MECH_MAP_SAPRC07( 10)\n & / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07( 10)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 11) , SPMH_MAP_SAPRC07( 11)\n & / 'fenchene_a ', 12 /\n DATA MECH_NAM_SAPRC07( 11) , MECH_MAP_SAPRC07( 11)\n & / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07( 11)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 12) , SPMH_MAP_SAPRC07( 12)\n & / 'tricyclene ', 14 /\n DATA MECH_NAM_SAPRC07( 12) , MECH_MAP_SAPRC07( 12)\n & / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07( 12)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 13) , SPMH_MAP_SAPRC07( 13)\n & / 'carene_3 ', 11 /\n DATA MECH_NAM_SAPRC07( 13) , MECH_MAP_SAPRC07( 13)\n & / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07( 13)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 14) , SPMH_MAP_SAPRC07( 14)\n & / 'fenchene_b ', 13 /\n DATA MECH_NAM_SAPRC07( 14) , MECH_MAP_SAPRC07( 14)\n & / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07( 14)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 15) , SPMH_MAP_SAPRC07( 15)\n & / 'phellandrene_a ', 17 /\n DATA MECH_NAM_SAPRC07( 15) , MECH_MAP_SAPRC07( 15)\n & / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07( 15)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 16) , SPMH_MAP_SAPRC07( 16)\n & / 'terpinene_g ', 20 /\n DATA MECH_NAM_SAPRC07( 16) , MECH_MAP_SAPRC07( 16)\n & / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07( 16)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 17) , SPMH_MAP_SAPRC07( 17)\n & / 'terpinene_a ', 19 /\n DATA MECH_NAM_SAPRC07( 17) , MECH_MAP_SAPRC07( 17)\n & / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07( 17)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 18) , SPMH_MAP_SAPRC07( 18)\n & / 'limonene ', 15 /\n DATA MECH_NAM_SAPRC07( 18) , MECH_MAP_SAPRC07( 18)\n & / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07( 18)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 19) , SPMH_MAP_SAPRC07( 19)\n & / 'phellandrene_b ', 16 /\n DATA MECH_NAM_SAPRC07( 19) , MECH_MAP_SAPRC07( 19)\n & / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07( 19)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 20) , SPMH_MAP_SAPRC07( 20)\n & / 'terpinolene ', 21 /\n DATA MECH_NAM_SAPRC07( 20) , MECH_MAP_SAPRC07( 20)\n & / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07( 20)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 21) , SPMH_MAP_SAPRC07( 21)\n & / 'thujene_a ', 22 /\n DATA MECH_NAM_SAPRC07( 21) , MECH_MAP_SAPRC07( 21)\n & / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07( 21)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 22) , SPMH_MAP_SAPRC07( 22)\n & / 'sabinene ', 18 /\n DATA MECH_NAM_SAPRC07( 22) , MECH_MAP_SAPRC07( 22)\n & / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07( 22)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 23) , SPMH_MAP_SAPRC07( 23)\n & / 'verbenene ', 23 /\n DATA MECH_NAM_SAPRC07( 23) , MECH_MAP_SAPRC07( 23)\n & / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07( 23)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 24) , SPMH_MAP_SAPRC07( 24)\n & / 'cymene_p ', 25 /\n DATA MECH_NAM_SAPRC07( 24) , MECH_MAP_SAPRC07( 24)\n & / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07( 24)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 25) , SPMH_MAP_SAPRC07( 25)\n & / 'cymene_o ', 24 /\n DATA MECH_NAM_SAPRC07( 25) , MECH_MAP_SAPRC07( 25)\n & / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07( 25)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 26) , SPMH_MAP_SAPRC07( 26)\n & / 'meta-cymenene ', 26 /\n DATA MECH_NAM_SAPRC07( 26) , MECH_MAP_SAPRC07( 26)\n & / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07( 26)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 27) , SPMH_MAP_SAPRC07( 27)\n & / 'p-cymenene ', 27 /\n DATA MECH_NAM_SAPRC07( 27) , MECH_MAP_SAPRC07( 27)\n & / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07( 27)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 28) , SPMH_MAP_SAPRC07( 28)\n & / 'camphor ', 30 /\n DATA MECH_NAM_SAPRC07( 28) , MECH_MAP_SAPRC07( 28)\n & / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07( 28)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 29) , SPMH_MAP_SAPRC07( 29)\n & / 'bornyl_ACT ', 29 /\n DATA MECH_NAM_SAPRC07( 29) , MECH_MAP_SAPRC07( 29)\n & / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07( 29)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 30) , SPMH_MAP_SAPRC07( 30)\n & / 'piperitone ', 38 /\n DATA MECH_NAM_SAPRC07( 30) , MECH_MAP_SAPRC07( 30)\n & / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07( 30)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 31) , SPMH_MAP_SAPRC07( 31)\n & / 'terpineol_a ', 40 /\n DATA MECH_NAM_SAPRC07( 31) , MECH_MAP_SAPRC07( 31)\n & / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07( 31)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 32) , SPMH_MAP_SAPRC07( 32)\n & / 'octanol ', 36 /\n DATA MECH_NAM_SAPRC07( 32) , MECH_MAP_SAPRC07( 32)\n & / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07( 32)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 33) , SPMH_MAP_SAPRC07( 33)\n & / 'estragole ', 31 /\n DATA MECH_NAM_SAPRC07( 33) , MECH_MAP_SAPRC07( 33)\n & / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07( 33)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 34) , SPMH_MAP_SAPRC07( 34)\n & / 'borneol ', 28 /\n DATA MECH_NAM_SAPRC07( 34) , MECH_MAP_SAPRC07( 34)\n & / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07( 34)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 35) , SPMH_MAP_SAPRC07( 35)\n & / 'thujone_b ', 42 /\n DATA MECH_NAM_SAPRC07( 35) , MECH_MAP_SAPRC07( 35)\n & / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07( 35)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 36) , SPMH_MAP_SAPRC07( 36)\n & / 'thujone_a ', 41 /\n DATA MECH_NAM_SAPRC07( 36) , MECH_MAP_SAPRC07( 36)\n & / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07( 36)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 37) , SPMH_MAP_SAPRC07( 37)\n & / 'terpineol_4 ', 39 /\n DATA MECH_NAM_SAPRC07( 37) , MECH_MAP_SAPRC07( 37)\n & / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07( 37)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 38) , SPMH_MAP_SAPRC07( 38)\n & / 'myrtenal ', 35 /\n DATA MECH_NAM_SAPRC07( 38) , MECH_MAP_SAPRC07( 38)\n & / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07( 38)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 39) , SPMH_MAP_SAPRC07( 39)\n & / 'fenchone ', 32 /\n DATA MECH_NAM_SAPRC07( 39) , MECH_MAP_SAPRC07( 39)\n & / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07( 39)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 40) , SPMH_MAP_SAPRC07( 40)\n & / 'octenol_1e3ol ', 37 /\n DATA MECH_NAM_SAPRC07( 40) , MECH_MAP_SAPRC07( 40)\n & / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07( 40)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 41) , SPMH_MAP_SAPRC07( 41)\n & / 'ionone_b ', 33 /\n DATA MECH_NAM_SAPRC07( 41) , MECH_MAP_SAPRC07( 41)\n & / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07( 41)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 42) , SPMH_MAP_SAPRC07( 42)\n & / 'ipsenol ', 34 /\n DATA MECH_NAM_SAPRC07( 42) , MECH_MAP_SAPRC07( 42)\n & / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07( 42)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 43) , SPMH_MAP_SAPRC07( 43)\n & / 'caryophyllene_b ', 51 /\n DATA MECH_NAM_SAPRC07( 43) , MECH_MAP_SAPRC07( 43)\n & / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07( 43)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 44) , SPMH_MAP_SAPRC07( 44)\n & / 'caryophyllene_c_i ', 52 /\n DATA MECH_NAM_SAPRC07( 44) , MECH_MAP_SAPRC07( 44)\n & / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07( 44)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 45) , SPMH_MAP_SAPRC07( 45)\n & / 'cadinene_d ', 48 /\n DATA MECH_NAM_SAPRC07( 45) , MECH_MAP_SAPRC07( 45)\n & / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07( 45)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 46) , SPMH_MAP_SAPRC07( 46)\n & / 'cadinene_d ', 48 /\n DATA MECH_NAM_SAPRC07( 46) , MECH_MAP_SAPRC07( 46)\n & / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07( 46)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 47) , SPMH_MAP_SAPRC07( 47)\n & / 'bisabolene_b ', 47 /\n DATA MECH_NAM_SAPRC07( 47) , MECH_MAP_SAPRC07( 47)\n & / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07( 47)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 48) , SPMH_MAP_SAPRC07( 48)\n & / 'farnescene_a ', 54 /\n DATA MECH_NAM_SAPRC07( 48) , MECH_MAP_SAPRC07( 48)\n & / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07( 48)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 49) , SPMH_MAP_SAPRC07( 49)\n & / 'patchoulene_b ', 65 /\n DATA MECH_NAM_SAPRC07( 49) , MECH_MAP_SAPRC07( 49)\n & / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07( 49)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 50) , SPMH_MAP_SAPRC07( 50)\n & / 'elemene_b ', 53 /\n DATA MECH_NAM_SAPRC07( 50) , MECH_MAP_SAPRC07( 50)\n & / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07( 50)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 51) , SPMH_MAP_SAPRC07( 51)\n & / 'nerolidol_c ', 63 /\n DATA MECH_NAM_SAPRC07( 51) , MECH_MAP_SAPRC07( 51)\n & / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07( 51)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 52) , SPMH_MAP_SAPRC07( 52)\n & / 'farnesol ', 56 /\n DATA MECH_NAM_SAPRC07( 52) , MECH_MAP_SAPRC07( 52)\n & / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07( 52)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 53) , SPMH_MAP_SAPRC07( 53)\n & / 'humulene_a ', 59 /\n DATA MECH_NAM_SAPRC07( 53) , MECH_MAP_SAPRC07( 53)\n & / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07( 53)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 54) , SPMH_MAP_SAPRC07( 54)\n & / 'muurolene_a ', 61 /\n DATA MECH_NAM_SAPRC07( 54) , MECH_MAP_SAPRC07( 54)\n & / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07( 54)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 55) , SPMH_MAP_SAPRC07( 55)\n & / 'bergamotene_a ', 44 /\n DATA MECH_NAM_SAPRC07( 55) , MECH_MAP_SAPRC07( 55)\n & / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07( 55)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 56) , SPMH_MAP_SAPRC07( 56)\n & / 'germacrene_B ', 57 /\n DATA MECH_NAM_SAPRC07( 56) , MECH_MAP_SAPRC07( 56)\n & / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07( 56)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 57) , SPMH_MAP_SAPRC07( 57)\n & / 'selinene_b ', 66 /\n DATA MECH_NAM_SAPRC07( 57) , MECH_MAP_SAPRC07( 57)\n & / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07( 57)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 58) , SPMH_MAP_SAPRC07( 58)\n & / 'calarene ', 50 /\n DATA MECH_NAM_SAPRC07( 58) , MECH_MAP_SAPRC07( 58)\n & / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07( 58)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 59) , SPMH_MAP_SAPRC07( 59)\n & / 'farnescene_b ', 55 /\n DATA MECH_NAM_SAPRC07( 59) , MECH_MAP_SAPRC07( 59)\n & / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07( 59)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 60) , SPMH_MAP_SAPRC07( 60)\n & / 'acoradiene ', 43 /\n DATA MECH_NAM_SAPRC07( 60) , MECH_MAP_SAPRC07( 60)\n & / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07( 60)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 61) , SPMH_MAP_SAPRC07( 61)\n & / 'humulene_g ', 60 /\n DATA MECH_NAM_SAPRC07( 61) , MECH_MAP_SAPRC07( 61)\n & / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07( 61)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 62) , SPMH_MAP_SAPRC07( 62)\n & / 'muurolene_g ', 62 /\n DATA MECH_NAM_SAPRC07( 62) , MECH_MAP_SAPRC07( 62)\n & / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07( 62)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 63) , SPMH_MAP_SAPRC07( 63)\n & / 'germacrene_D ', 58 /\n DATA MECH_NAM_SAPRC07( 63) , MECH_MAP_SAPRC07( 63)\n & / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07( 63)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 64) , SPMH_MAP_SAPRC07( 64)\n & / 'cadinene_g ', 49 /\n DATA MECH_NAM_SAPRC07( 64) , MECH_MAP_SAPRC07( 64)\n & / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07( 64)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 65) , SPMH_MAP_SAPRC07( 65)\n & / 'nerolidol_t ', 64 /\n DATA MECH_NAM_SAPRC07( 65) , MECH_MAP_SAPRC07( 65)\n & / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07( 65)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 66) , SPMH_MAP_SAPRC07( 66)\n & / 'bergamotene_b ', 45 /\n DATA MECH_NAM_SAPRC07( 66) , MECH_MAP_SAPRC07( 66)\n & / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07( 66)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 67) , SPMH_MAP_SAPRC07( 67)\n & / 'bisabolene_a ', 46 /\n DATA MECH_NAM_SAPRC07( 67) , MECH_MAP_SAPRC07( 67)\n & / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07( 67)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 68) , SPMH_MAP_SAPRC07( 68)\n & / 'cedrol ', 73 /\n DATA MECH_NAM_SAPRC07( 68) , MECH_MAP_SAPRC07( 68)\n & / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07( 68)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 69) , SPMH_MAP_SAPRC07( 69)\n & / 'homosalate ', 78 /\n DATA MECH_NAM_SAPRC07( 69) , MECH_MAP_SAPRC07( 69)\n & / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07( 69)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 70) , SPMH_MAP_SAPRC07( 70)\n & / '2ethyl_hexyl_salate ', 68 /\n DATA MECH_NAM_SAPRC07( 70) , MECH_MAP_SAPRC07( 70)\n & / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07( 70)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 71) , SPMH_MAP_SAPRC07( 71)\n & / 'cedrene_a ', 72 /\n DATA MECH_NAM_SAPRC07( 71) , MECH_MAP_SAPRC07( 71)\n & / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07( 71)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 72) , SPMH_MAP_SAPRC07( 72)\n & / 'thujopsene ', 83 /\n DATA MECH_NAM_SAPRC07( 72) , MECH_MAP_SAPRC07( 72)\n & / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07( 72)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 73) , SPMH_MAP_SAPRC07( 73)\n & / 'longifolene ', 81 /\n DATA MECH_NAM_SAPRC07( 73) , MECH_MAP_SAPRC07( 73)\n & / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07( 73)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 74) , SPMH_MAP_SAPRC07( 74)\n & / 'cadinol_a ', 71 /\n DATA MECH_NAM_SAPRC07( 74) , MECH_MAP_SAPRC07( 74)\n & / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07( 74)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 75) , SPMH_MAP_SAPRC07( 75)\n & / 'zingiberene_a ', 85 /\n DATA MECH_NAM_SAPRC07( 75) , MECH_MAP_SAPRC07( 75)\n & / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07( 75)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 76) , SPMH_MAP_SAPRC07( 76)\n & / 'isolongifolene ', 79 /\n DATA MECH_NAM_SAPRC07( 76) , MECH_MAP_SAPRC07( 76)\n & / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07( 76)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 77) , SPMH_MAP_SAPRC07( 77)\n & / 'longicyclene ', 87 /\n DATA MECH_NAM_SAPRC07( 77) , MECH_MAP_SAPRC07( 77)\n & / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07( 77)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 78) , SPMH_MAP_SAPRC07( 78)\n & / 'copaene_a ', 74 /\n DATA MECH_NAM_SAPRC07( 78) , MECH_MAP_SAPRC07( 78)\n & / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07( 78)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 79) , SPMH_MAP_SAPRC07( 79)\n & / 'bourbonene_b ', 70 /\n DATA MECH_NAM_SAPRC07( 79) , MECH_MAP_SAPRC07( 79)\n & / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07( 79)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 80) , SPMH_MAP_SAPRC07( 80)\n & / 'longipinene ', 82 /\n DATA MECH_NAM_SAPRC07( 80) , MECH_MAP_SAPRC07( 80)\n & / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07( 80)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 81) , SPMH_MAP_SAPRC07( 81)\n & / 'cubebene_b ', 76 /\n DATA MECH_NAM_SAPRC07( 81) , MECH_MAP_SAPRC07( 81)\n & / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07( 81)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 82) , SPMH_MAP_SAPRC07( 82)\n & / 'ylangene_a ', 84 /\n DATA MECH_NAM_SAPRC07( 82) , MECH_MAP_SAPRC07( 82)\n & / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07( 82)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 83) , SPMH_MAP_SAPRC07( 83)\n & / 'cubebene_a ', 75 /\n DATA MECH_NAM_SAPRC07( 83) , MECH_MAP_SAPRC07( 83)\n & / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07( 83)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 84) , SPMH_MAP_SAPRC07( 84)\n & / 'copaene_b ', 86 /\n DATA MECH_NAM_SAPRC07( 84) , MECH_MAP_SAPRC07( 84)\n & / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07( 84)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 85) , SPMH_MAP_SAPRC07( 85)\n & / 'kaur_16_ene ', 80 /\n DATA MECH_NAM_SAPRC07( 85) , MECH_MAP_SAPRC07( 85)\n & / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07( 85)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 86) , SPMH_MAP_SAPRC07( 86)\n & / 'gurjunene_b ', 77 /\n DATA MECH_NAM_SAPRC07( 86) , MECH_MAP_SAPRC07( 86)\n & / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07( 86)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 87) , SPMH_MAP_SAPRC07( 87)\n & / 'aromadendrene ', 69 /\n DATA MECH_NAM_SAPRC07( 87) , MECH_MAP_SAPRC07( 87)\n & / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07( 87)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 88) , SPMH_MAP_SAPRC07( 88)\n & / 'methanol ', 88 /\n DATA MECH_NAM_SAPRC07( 88) , MECH_MAP_SAPRC07( 88)\n & / 'MEOH ', 23 /\n DATA CONV_FAC_SAPRC07( 88)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 89) , SPMH_MAP_SAPRC07( 89)\n & / 'acetone ', 89 /\n DATA MECH_NAM_SAPRC07( 89) , MECH_MAP_SAPRC07( 89)\n & / 'ACET ', 20 /\n DATA CONV_FAC_SAPRC07( 89)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 90) , SPMH_MAP_SAPRC07( 90)\n & / 'ethanol ', 91 /\n DATA MECH_NAM_SAPRC07( 90) , MECH_MAP_SAPRC07( 90)\n & / 'ALK3 ', 4 /\n DATA CONV_FAC_SAPRC07( 90)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 91) , SPMH_MAP_SAPRC07( 91)\n & / 'acetaldehyde ', 90 /\n DATA MECH_NAM_SAPRC07( 91) , MECH_MAP_SAPRC07( 91)\n & / 'CCHO ', 17 /\n DATA CONV_FAC_SAPRC07( 91)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 92) , SPMH_MAP_SAPRC07( 92)\n & / 'formic_acid ', 93 /\n DATA MECH_NAM_SAPRC07( 92) , MECH_MAP_SAPRC07( 92)\n & / 'FACD ', 24 /\n DATA CONV_FAC_SAPRC07( 92)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 93) , SPMH_MAP_SAPRC07( 93)\n & / 'acetic_acid ', 92 /\n DATA MECH_NAM_SAPRC07( 93) , MECH_MAP_SAPRC07( 93)\n & / 'AACD ', 25 /\n DATA CONV_FAC_SAPRC07( 93)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 94) , SPMH_MAP_SAPRC07( 94)\n & / 'ethane ', 100 /\n DATA MECH_NAM_SAPRC07( 94) , MECH_MAP_SAPRC07( 94)\n & / 'ALK2 ', 3 /\n DATA CONV_FAC_SAPRC07( 94)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 95) , SPMH_MAP_SAPRC07( 95)\n & / 'ethene ', 101 /\n DATA MECH_NAM_SAPRC07( 95) , MECH_MAP_SAPRC07( 95)\n & / 'ETHE ', 7 /\n DATA CONV_FAC_SAPRC07( 95)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 96) , SPMH_MAP_SAPRC07( 96)\n & / 'propane ', 102 /\n DATA MECH_NAM_SAPRC07( 96) , MECH_MAP_SAPRC07( 96)\n & / 'ALK2 ', 3 /\n DATA CONV_FAC_SAPRC07( 96)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 97) , SPMH_MAP_SAPRC07( 97)\n & / 'butene ', 97 /\n DATA MECH_NAM_SAPRC07( 97) , MECH_MAP_SAPRC07( 97)\n & / 'OLE1 ', 8 /\n DATA CONV_FAC_SAPRC07( 97)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 98) , SPMH_MAP_SAPRC07( 98)\n & / 'propene ', 103 /\n DATA MECH_NAM_SAPRC07( 98) , MECH_MAP_SAPRC07( 98)\n & / 'OLE1 ', 8 /\n DATA CONV_FAC_SAPRC07( 98)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 99) , SPMH_MAP_SAPRC07( 99)\n & / '2_methylprop_1_ene ', 95 /\n DATA MECH_NAM_SAPRC07( 99) , MECH_MAP_SAPRC07( 99)\n & / 'OLE1 ', 8 /\n DATA CONV_FAC_SAPRC07( 99)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 100) , SPMH_MAP_SAPRC07( 100)\n & / 'butene_c2 ', 98 /\n DATA MECH_NAM_SAPRC07( 100) , MECH_MAP_SAPRC07( 100)\n & / 'OLE2 ', 9 /\n DATA CONV_FAC_SAPRC07( 100)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 101) , SPMH_MAP_SAPRC07( 101)\n & / 'butene_t2 ', 99 /\n DATA MECH_NAM_SAPRC07( 101) , MECH_MAP_SAPRC07( 101)\n & / 'OLE2 ', 9 /\n DATA CONV_FAC_SAPRC07( 101)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 102) , SPMH_MAP_SAPRC07( 102)\n & / 'formaldehyde ', 113 /\n DATA MECH_NAM_SAPRC07( 102) , MECH_MAP_SAPRC07( 102)\n & / 'HCHO ', 16 /\n DATA CONV_FAC_SAPRC07( 102)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 103) , SPMH_MAP_SAPRC07( 103)\n & / 'met_heptenone ', 106 /\n DATA MECH_NAM_SAPRC07( 103) , MECH_MAP_SAPRC07( 103)\n & / 'IPRD ', 33 /\n DATA CONV_FAC_SAPRC07( 103)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 104) , SPMH_MAP_SAPRC07( 104)\n & / 'oxopentanal ', 114 /\n DATA MECH_NAM_SAPRC07( 104) , MECH_MAP_SAPRC07( 104)\n & / 'IPRD ', 33 /\n DATA CONV_FAC_SAPRC07( 104)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 105) , SPMH_MAP_SAPRC07( 105)\n & / 'geranyl_acetone ', 105 /\n DATA MECH_NAM_SAPRC07( 105) , MECH_MAP_SAPRC07( 105)\n & / 'IPRD ', 33 /\n DATA CONV_FAC_SAPRC07( 105)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 106) , SPMH_MAP_SAPRC07( 106)\n & / 'hexanal ', 141 /\n DATA MECH_NAM_SAPRC07( 106) , MECH_MAP_SAPRC07( 106)\n & / 'IPRD ', 33 /\n DATA CONV_FAC_SAPRC07( 106)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 107) , SPMH_MAP_SAPRC07( 107)\n & / 'hydrogen_cyanide ', 147 /\n DATA MECH_NAM_SAPRC07( 107) , MECH_MAP_SAPRC07( 107)\n & / 'HCN ', 37 /\n DATA CONV_FAC_SAPRC07( 107)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 108) , SPMH_MAP_SAPRC07( 108)\n & / 'linalool ', 150 /\n DATA MECH_NAM_SAPRC07( 108) , MECH_MAP_SAPRC07( 108)\n & / 'IPRD ', 33 /\n DATA CONV_FAC_SAPRC07( 108)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 109) , SPMH_MAP_SAPRC07( 109)\n & / 'methacrolein ', 153 /\n DATA MECH_NAM_SAPRC07( 109) , MECH_MAP_SAPRC07( 109)\n & / 'IPRD ', 33 /\n DATA CONV_FAC_SAPRC07( 109)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 110) , SPMH_MAP_SAPRC07( 110)\n & / 'met_vinylketone ', 158 /\n DATA MECH_NAM_SAPRC07( 110) , MECH_MAP_SAPRC07( 110)\n & / 'IPRD ', 33 /\n DATA CONV_FAC_SAPRC07( 110)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 111) , SPMH_MAP_SAPRC07( 111)\n & / 'hexanol_1 ', 142 /\n DATA MECH_NAM_SAPRC07( 111) , MECH_MAP_SAPRC07( 111)\n & / 'IPRD ', 33 /\n DATA CONV_FAC_SAPRC07( 111)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 112) , SPMH_MAP_SAPRC07( 112)\n & / 'met_salicylate ', 156 /\n DATA MECH_NAM_SAPRC07( 112) , MECH_MAP_SAPRC07( 112)\n & / 'IPRD ', 33 /\n DATA CONV_FAC_SAPRC07( 112)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 113) , SPMH_MAP_SAPRC07( 113)\n & / 'cineole_1_8 ', 133 /\n DATA MECH_NAM_SAPRC07( 113) , MECH_MAP_SAPRC07( 113)\n & / 'IPRD ', 33 /\n DATA CONV_FAC_SAPRC07( 113)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 114) , SPMH_MAP_SAPRC07( 114)\n & / 'hexenal_t2 ', 144 /\n DATA MECH_NAM_SAPRC07( 114) , MECH_MAP_SAPRC07( 114)\n & / 'IPRD ', 33 /\n DATA CONV_FAC_SAPRC07( 114)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 115) , SPMH_MAP_SAPRC07( 115)\n & / 'hexenol_c3 ', 145 /\n DATA MECH_NAM_SAPRC07( 115) , MECH_MAP_SAPRC07( 115)\n & / 'IPRD ', 33 /\n DATA CONV_FAC_SAPRC07( 115)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 116) , SPMH_MAP_SAPRC07( 116)\n & / 'hexenyl_ACT_c3 ', 146 /\n DATA MECH_NAM_SAPRC07( 116) , MECH_MAP_SAPRC07( 116)\n & / 'IPRD ', 33 /\n DATA CONV_FAC_SAPRC07( 116)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 117) , SPMH_MAP_SAPRC07( 117)\n & / 'hexenal_c3 ', 143 /\n DATA MECH_NAM_SAPRC07( 117) , MECH_MAP_SAPRC07( 117)\n & / 'IPRD ', 33 /\n DATA CONV_FAC_SAPRC07( 117)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 118) , SPMH_MAP_SAPRC07( 118)\n & / '2met_nonatriene ', 137 /\n DATA MECH_NAM_SAPRC07( 118) , MECH_MAP_SAPRC07( 118)\n & / 'IPRD ', 33 /\n DATA CONV_FAC_SAPRC07( 118)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 119) , SPMH_MAP_SAPRC07( 119)\n & / 'methane ', 184 /\n DATA MECH_NAM_SAPRC07( 119) , MECH_MAP_SAPRC07( 119)\n & / 'ALK1 ', 2 /\n DATA CONV_FAC_SAPRC07( 119)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 120) , SPMH_MAP_SAPRC07( 120)\n & / 'met_bromide ', 185 /\n DATA MECH_NAM_SAPRC07( 120) , MECH_MAP_SAPRC07( 120)\n & / 'CH3BR ', 38 /\n DATA CONV_FAC_SAPRC07( 120)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 121) , SPMH_MAP_SAPRC07( 121)\n & / 'met_chloride ', 186 /\n DATA MECH_NAM_SAPRC07( 121) , MECH_MAP_SAPRC07( 121)\n & / 'CH3CL ', 39 /\n DATA CONV_FAC_SAPRC07( 121)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 122) , SPMH_MAP_SAPRC07( 122)\n & / 'met_iodide ', 187 /\n DATA MECH_NAM_SAPRC07( 122) , MECH_MAP_SAPRC07( 122)\n & / 'CH3I ', 40 /\n DATA CONV_FAC_SAPRC07( 122)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 123) , SPMH_MAP_SAPRC07( 123)\n & / 'met_mercaptan ', 188 /\n DATA MECH_NAM_SAPRC07( 123) , MECH_MAP_SAPRC07( 123)\n & / 'TRS ', 41 /\n DATA CONV_FAC_SAPRC07( 123)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 124) , SPMH_MAP_SAPRC07( 124)\n & / 'carbon_2s ', 171 /\n DATA MECH_NAM_SAPRC07( 124) , MECH_MAP_SAPRC07( 124)\n & / 'TRS ', 41 /\n DATA CONV_FAC_SAPRC07( 124)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 125) , SPMH_MAP_SAPRC07( 125)\n & / '2met_s ', 176 /\n DATA MECH_NAM_SAPRC07( 125) , MECH_MAP_SAPRC07( 125)\n & / 'TRS ', 41 /\n DATA CONV_FAC_SAPRC07( 125)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 126) , SPMH_MAP_SAPRC07( 126)\n & / 'butanone_2 ', 170 /\n DATA MECH_NAM_SAPRC07( 126) , MECH_MAP_SAPRC07( 126)\n & / 'IPRD ', 33 /\n DATA CONV_FAC_SAPRC07( 126)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 127) , SPMH_MAP_SAPRC07( 127)\n & / 'terpinyl_ACT_a ', 197 /\n DATA MECH_NAM_SAPRC07( 127) , MECH_MAP_SAPRC07( 127)\n & / 'IPRD ', 33 /\n DATA CONV_FAC_SAPRC07( 127)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 128) , SPMH_MAP_SAPRC07( 128)\n & / 'pentane ', 193 /\n DATA MECH_NAM_SAPRC07( 128) , MECH_MAP_SAPRC07( 128)\n & / 'ALK4 ', 5 /\n DATA CONV_FAC_SAPRC07( 128)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 129) , SPMH_MAP_SAPRC07( 129)\n & / 'hexane ', 181 /\n DATA MECH_NAM_SAPRC07( 129) , MECH_MAP_SAPRC07( 129)\n & / 'ALK5 ', 6 /\n DATA CONV_FAC_SAPRC07( 129)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 130) , SPMH_MAP_SAPRC07( 130)\n & / 'decane ', 173 /\n DATA MECH_NAM_SAPRC07( 130) , MECH_MAP_SAPRC07( 130)\n & / 'ALK5 ', 6 /\n DATA CONV_FAC_SAPRC07( 130)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 131) , SPMH_MAP_SAPRC07( 131)\n & / 'heptane ', 179 /\n DATA MECH_NAM_SAPRC07( 131) , MECH_MAP_SAPRC07( 131)\n & / 'ALK5 ', 6 /\n DATA CONV_FAC_SAPRC07( 131)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 132) , SPMH_MAP_SAPRC07( 132)\n & / 'carbonyl_s ', 172 /\n DATA MECH_NAM_SAPRC07( 132) , MECH_MAP_SAPRC07( 132)\n & / 'TRS ', 41 /\n DATA CONV_FAC_SAPRC07( 132)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 133) , SPMH_MAP_SAPRC07( 133)\n & / '2met_2s ', 175 /\n DATA MECH_NAM_SAPRC07( 133) , MECH_MAP_SAPRC07( 133)\n & / 'TRS ', 41 /\n DATA CONV_FAC_SAPRC07( 133)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 134) , SPMH_MAP_SAPRC07( 134)\n & / 'undecane ', 199 /\n DATA MECH_NAM_SAPRC07( 134) , MECH_MAP_SAPRC07( 134)\n & / 'ALK5 ', 6 /\n DATA CONV_FAC_SAPRC07( 134)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 135) , SPMH_MAP_SAPRC07( 135)\n & / 'tetradecene_1 ', 198 /\n DATA MECH_NAM_SAPRC07( 135) , MECH_MAP_SAPRC07( 135)\n & / 'ALK5 ', 6 /\n DATA CONV_FAC_SAPRC07( 135)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 136) , SPMH_MAP_SAPRC07( 136)\n & / 'diallyl_2s ', 174 /\n DATA MECH_NAM_SAPRC07( 136) , MECH_MAP_SAPRC07( 136)\n & / 'TRS ', 41 /\n DATA CONV_FAC_SAPRC07( 136)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 137) , SPMH_MAP_SAPRC07( 137)\n & / 'PPPP_2s ', 194 /\n DATA MECH_NAM_SAPRC07( 137) , MECH_MAP_SAPRC07( 137)\n & / 'TRS ', 41 /\n DATA CONV_FAC_SAPRC07( 137)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 138) , SPMH_MAP_SAPRC07( 138)\n & / 'met_propenyl_2s ', 189 /\n DATA MECH_NAM_SAPRC07( 138) , MECH_MAP_SAPRC07( 138)\n & / 'TRS ', 41 /\n DATA CONV_FAC_SAPRC07( 138)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 139) , SPMH_MAP_SAPRC07( 139)\n & / 'hydrogen_s ', 182 /\n DATA MECH_NAM_SAPRC07( 139) , MECH_MAP_SAPRC07( 139)\n & / 'TRS ', 41 /\n DATA CONV_FAC_SAPRC07( 139)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 140) , SPMH_MAP_SAPRC07( 140)\n & / 'carbon_monoxide ', 200 /\n DATA MECH_NAM_SAPRC07( 140) , MECH_MAP_SAPRC07( 140)\n & / 'CO ', 35 /\n DATA CONV_FAC_SAPRC07( 140)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 141) , SPMH_MAP_SAPRC07( 141)\n & / 'nitric_OXD ', 201 /\n DATA MECH_NAM_SAPRC07( 141) , MECH_MAP_SAPRC07( 141)\n & / 'NO ', 42 /\n DATA CONV_FAC_SAPRC07( 141)\n & / 1 /\n \n DATA SPMH_NAM_SAPRC07( 142) , SPMH_MAP_SAPRC07( 142)\n & / 'pinene_a ', 3 /\n DATA MECH_NAM_SAPRC07( 142) , MECH_MAP_SAPRC07( 142)\n & / 'APIN ', 45 /\n DATA CONV_FAC_SAPRC07( 142)\n & / 1 /\n\n DATA SPMH_NAM_SAPRC07( 143) , SPMH_MAP_SAPRC07( 143)\n & / 'formaldehyde ', 113 /\n DATA MECH_NAM_SAPRC07( 143) , MECH_MAP_SAPRC07( 143)\n & / 'HCHO_PRIMARY', 46 /\n DATA CONV_FAC_SAPRC07( 143)\n & / 1 /\n\n DATA SPMH_NAM_SAPRC07( 144) , SPMH_MAP_SAPRC07( 144)\n & / 'acetaldehyde ', 90 /\n DATA MECH_NAM_SAPRC07( 144) , MECH_MAP_SAPRC07( 144)\n & / 'CCHO_PRIMARY', 47 /\n DATA CONV_FAC_SAPRC07( 144)\n & / 1 /\n" }, { "path": "CCTM/src/biog/megan3/MAP_CV2SAPRC07T.EXT", "content": "CRESC=======================================================================\nC MAP_CV2SAPRC07.EXT\nC This include file contains conversion table for 201 speciated species\nC to SAPRC07 (CMAQ/CAMx) species\nC\nC\nC MEGAN v3\nC\nC History:\nC Who When What\nC ---------------------------------------------------------------------\nC Tan 07/18/11 - Created for MEGANv2.10\nC Ling Huang 06/13/17 - Updated for MEGANv3\nC=======================================================================\n\n CHARACTER*16 MAP_SAPRC07TMECH\n PARAMETER (MAP_SAPRC07TMECH = 'SAPRC07T ')\n\n INTEGER N_SAPRC07T\n PARAMETER (N_SAPRC07T = 170) ! Number of map species\n\n CHARACTER*16 SPMH_NAM_SAPRC07T( N_SAPRC07T ) ! speciated species name\n INTEGER SPMH_MAP_SAPRC07T( N_SAPRC07T ) ! speciated species name\n ! mapped to SPC_SPCAT.EXT\n CHARACTER*16 MECH_NAM_SAPRC07T( N_SAPRC07T ) ! mechanism species\n INTEGER MECH_MAP_SAPRC07T( N_SAPRC07T ) ! mechanism species mapped\n\n REAL CONV_FAC_SAPRC07T( N_SAPRC07T ) ! conversion factor\n\n \n DATA SPMH_NAM_SAPRC07T( 1), SPMH_MAP_SAPRC07T( 1) / 'isoprene ', 1 /\n DATA MECH_NAM_SAPRC07T( 1), MECH_MAP_SAPRC07T( 1) / 'ISOPRENE ', 10 /\n DATA CONV_FAC_SAPRC07T( 1) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 2), SPMH_MAP_SAPRC07T( 2) / 'MBO_2m3e2ol ', 2 /\n DATA MECH_NAM_SAPRC07T( 2), MECH_MAP_SAPRC07T( 2) / 'OLE2 ', 9 /\n DATA CONV_FAC_SAPRC07T( 2) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 3), SPMH_MAP_SAPRC07T( 3) / 'pinene_b ', 4 /\n DATA MECH_NAM_SAPRC07T( 3), MECH_MAP_SAPRC07T( 3) / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07T( 3) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 4), SPMH_MAP_SAPRC07T( 4) / 'myrcene ', 5 /\n DATA MECH_NAM_SAPRC07T( 4), MECH_MAP_SAPRC07T( 4) / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07T( 4) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 5), SPMH_MAP_SAPRC07T( 5) / 'ocimene_al ', 6 /\n DATA MECH_NAM_SAPRC07T( 5), MECH_MAP_SAPRC07T( 5) / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07T( 5) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 6), SPMH_MAP_SAPRC07T( 6) / 'ocimene_c_b ', 7 /\n DATA MECH_NAM_SAPRC07T( 6), MECH_MAP_SAPRC07T( 6) / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07T( 6) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 7), SPMH_MAP_SAPRC07T( 7) / 'ocimene_t_b ', 8 /\n DATA MECH_NAM_SAPRC07T( 7), MECH_MAP_SAPRC07T( 7) / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07T( 7) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 8), SPMH_MAP_SAPRC07T( 8) / 'camphene ', 10 /\n DATA MECH_NAM_SAPRC07T( 8), MECH_MAP_SAPRC07T( 8) / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07T( 8) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 9), SPMH_MAP_SAPRC07T( 9) / 'bornene ', 9 /\n DATA MECH_NAM_SAPRC07T( 9), MECH_MAP_SAPRC07T( 9) / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07T( 9) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 10), SPMH_MAP_SAPRC07T( 10) / 'fenchene_a ', 12 /\n DATA MECH_NAM_SAPRC07T( 10), MECH_MAP_SAPRC07T( 10) / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07T( 10) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 11), SPMH_MAP_SAPRC07T( 11) / 'tricyclene ', 14 /\n DATA MECH_NAM_SAPRC07T( 11), MECH_MAP_SAPRC07T( 11) / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07T( 11) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 12), SPMH_MAP_SAPRC07T( 12) / 'carene_3 ', 11 /\n DATA MECH_NAM_SAPRC07T( 12), MECH_MAP_SAPRC07T( 12) / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07T( 12) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 13), SPMH_MAP_SAPRC07T( 13) / 'fenchene_b ', 13 /\n DATA MECH_NAM_SAPRC07T( 13), MECH_MAP_SAPRC07T( 13) / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07T( 13) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 14), SPMH_MAP_SAPRC07T( 14) / 'phellandrene_a ', 17 /\n DATA MECH_NAM_SAPRC07T( 14), MECH_MAP_SAPRC07T( 14) / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07T( 14) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 15), SPMH_MAP_SAPRC07T( 15) / 'terpinene_g ', 20 /\n DATA MECH_NAM_SAPRC07T( 15), MECH_MAP_SAPRC07T( 15) / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07T( 15) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 16), SPMH_MAP_SAPRC07T( 16) / 'terpinene_a ', 19 /\n DATA MECH_NAM_SAPRC07T( 16), MECH_MAP_SAPRC07T( 16) / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07T( 16) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 17), SPMH_MAP_SAPRC07T( 17) / 'limonene ', 15 /\n DATA MECH_NAM_SAPRC07T( 17), MECH_MAP_SAPRC07T( 17) / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07T( 17) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 18), SPMH_MAP_SAPRC07T( 18) / 'phellandrene_b ', 16 /\n DATA MECH_NAM_SAPRC07T( 18), MECH_MAP_SAPRC07T( 18) / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07T( 18) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 19), SPMH_MAP_SAPRC07T( 19) / 'terpinolene ', 21 /\n DATA MECH_NAM_SAPRC07T( 19), MECH_MAP_SAPRC07T( 19) / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07T( 19) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 20), SPMH_MAP_SAPRC07T( 20) / 'thujene_a ', 22 /\n DATA MECH_NAM_SAPRC07T( 20), MECH_MAP_SAPRC07T( 20) / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07T( 20) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 21), SPMH_MAP_SAPRC07T( 21) / 'sabinene ', 18 /\n DATA MECH_NAM_SAPRC07T( 21), MECH_MAP_SAPRC07T( 21) / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07T( 21) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 22), SPMH_MAP_SAPRC07T( 22) / 'verbenene ', 23 /\n DATA MECH_NAM_SAPRC07T( 22), MECH_MAP_SAPRC07T( 22) / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07T( 22) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 23), SPMH_MAP_SAPRC07T( 23) / 'cymene_p ', 25 /\n DATA MECH_NAM_SAPRC07T( 23), MECH_MAP_SAPRC07T( 23) / 'ARO2MN ', 14 /\n DATA CONV_FAC_SAPRC07T( 23) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 24), SPMH_MAP_SAPRC07T( 24) / 'cymene_o ', 24 /\n DATA MECH_NAM_SAPRC07T( 24), MECH_MAP_SAPRC07T( 24) / 'ARO2MN ', 14 /\n DATA CONV_FAC_SAPRC07T( 24) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 25), SPMH_MAP_SAPRC07T( 25) / 'meta-cymenene ', 26 /\n DATA MECH_NAM_SAPRC07T( 25), MECH_MAP_SAPRC07T( 25) / 'ARO2MN ', 14 /\n DATA CONV_FAC_SAPRC07T( 25) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 26), SPMH_MAP_SAPRC07T( 26) / 'p-cymenene ', 27 /\n DATA MECH_NAM_SAPRC07T( 26), MECH_MAP_SAPRC07T( 26) / 'ARO2MN ', 14 /\n DATA CONV_FAC_SAPRC07T( 26) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 27), SPMH_MAP_SAPRC07T( 27) / 'camphor ', 30 /\n DATA MECH_NAM_SAPRC07T( 27), MECH_MAP_SAPRC07T( 27) / 'MEK ', 21 /\n DATA CONV_FAC_SAPRC07T( 27) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 28), SPMH_MAP_SAPRC07T( 28) / 'bornyl_ACT ', 29 /\n DATA MECH_NAM_SAPRC07T( 28), MECH_MAP_SAPRC07T( 28) / 'ALK5 ', 6 /\n DATA CONV_FAC_SAPRC07T( 28) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 29), SPMH_MAP_SAPRC07T( 29) / 'piperitone ', 38 /\n DATA MECH_NAM_SAPRC07T( 29), MECH_MAP_SAPRC07T( 29) / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07T( 29) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 30), SPMH_MAP_SAPRC07T( 30) / 'terpineol_a ', 40 /\n DATA MECH_NAM_SAPRC07T( 30), MECH_MAP_SAPRC07T( 30) / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07T( 30) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 31), SPMH_MAP_SAPRC07T( 31) / 'octanol ', 36 /\n DATA MECH_NAM_SAPRC07T( 31), MECH_MAP_SAPRC07T( 31) / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07T( 31) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 32), SPMH_MAP_SAPRC07T( 32) / 'estragole ', 31 /\n DATA MECH_NAM_SAPRC07T( 32), MECH_MAP_SAPRC07T( 32) / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07T( 32) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 33), SPMH_MAP_SAPRC07T( 33) / 'borneol ', 28 /\n DATA MECH_NAM_SAPRC07T( 33), MECH_MAP_SAPRC07T( 33) / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07T( 33) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 34), SPMH_MAP_SAPRC07T( 34) / 'thujone_b ', 42 /\n DATA MECH_NAM_SAPRC07T( 34), MECH_MAP_SAPRC07T( 34) / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07T( 34) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 35), SPMH_MAP_SAPRC07T( 35) / 'thujone_a ', 41 /\n DATA MECH_NAM_SAPRC07T( 35), MECH_MAP_SAPRC07T( 35) / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07T( 35) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 36), SPMH_MAP_SAPRC07T( 36) / 'terpineol_4 ', 39 /\n DATA MECH_NAM_SAPRC07T( 36), MECH_MAP_SAPRC07T( 36) / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07T( 36) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 37), SPMH_MAP_SAPRC07T( 37) / 'myrtenal ', 35 /\n DATA MECH_NAM_SAPRC07T( 37), MECH_MAP_SAPRC07T( 37) / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07T( 37) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 38), SPMH_MAP_SAPRC07T( 38) / 'fenchone ', 32 /\n DATA MECH_NAM_SAPRC07T( 38), MECH_MAP_SAPRC07T( 38) / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07T( 38) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 39), SPMH_MAP_SAPRC07T( 39) / 'octenol_1e3ol ', 37 /\n DATA MECH_NAM_SAPRC07T( 39), MECH_MAP_SAPRC07T( 39) / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07T( 39) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 40), SPMH_MAP_SAPRC07T( 40) / 'ionone_b ', 33 /\n DATA MECH_NAM_SAPRC07T( 40), MECH_MAP_SAPRC07T( 40) / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07T( 40) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 41), SPMH_MAP_SAPRC07T( 41) / 'ipsenol ', 34 /\n DATA MECH_NAM_SAPRC07T( 41), MECH_MAP_SAPRC07T( 41) / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07T( 41) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 42), SPMH_MAP_SAPRC07T( 42) / 'caryophyllene_b ', 51 /\n DATA MECH_NAM_SAPRC07T( 42), MECH_MAP_SAPRC07T( 42) / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07T( 42) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 43), SPMH_MAP_SAPRC07T( 43) / 'caryophyllene_c_i ', 52 /\n DATA MECH_NAM_SAPRC07T( 43), MECH_MAP_SAPRC07T( 43) / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07T( 43) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 44), SPMH_MAP_SAPRC07T( 44) / 'cadinene_d ', 48 /\n DATA MECH_NAM_SAPRC07T( 44), MECH_MAP_SAPRC07T( 44) / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07T( 44) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 45), SPMH_MAP_SAPRC07T( 45) / 'cadinene_d ', 48 /\n DATA MECH_NAM_SAPRC07T( 45), MECH_MAP_SAPRC07T( 45) / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07T( 45) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 46), SPMH_MAP_SAPRC07T( 46) / 'bisabolene_b ', 47 /\n DATA MECH_NAM_SAPRC07T( 46), MECH_MAP_SAPRC07T( 46) / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07T( 46) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 47), SPMH_MAP_SAPRC07T( 47) / 'farnescene_a ', 54 /\n DATA MECH_NAM_SAPRC07T( 47), MECH_MAP_SAPRC07T( 47) / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07T( 47) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 48), SPMH_MAP_SAPRC07T( 48) / 'patchoulene_b ', 65 /\n DATA MECH_NAM_SAPRC07T( 48), MECH_MAP_SAPRC07T( 48) / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07T( 48) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 49), SPMH_MAP_SAPRC07T( 49) / 'elemene_b ', 53 /\n DATA MECH_NAM_SAPRC07T( 49), MECH_MAP_SAPRC07T( 49) / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07T( 49) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 50), SPMH_MAP_SAPRC07T( 50) / 'nerolidol_c ', 63 /\n DATA MECH_NAM_SAPRC07T( 50), MECH_MAP_SAPRC07T( 50) / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07T( 50) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 51), SPMH_MAP_SAPRC07T( 51) / 'farnesol ', 56 /\n DATA MECH_NAM_SAPRC07T( 51), MECH_MAP_SAPRC07T( 51) / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07T( 51) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 52), SPMH_MAP_SAPRC07T( 52) / 'humulene_a ', 59 /\n DATA MECH_NAM_SAPRC07T( 52), MECH_MAP_SAPRC07T( 52) / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07T( 52) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 53), SPMH_MAP_SAPRC07T( 53) / 'muurolene_a ', 61 /\n DATA MECH_NAM_SAPRC07T( 53), MECH_MAP_SAPRC07T( 53) / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07T( 53) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 54), SPMH_MAP_SAPRC07T( 54) / 'bergamotene_a ', 44 /\n DATA MECH_NAM_SAPRC07T( 54), MECH_MAP_SAPRC07T( 54) / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07T( 54) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 55), SPMH_MAP_SAPRC07T( 55) / 'germacrene_B ', 57 /\n DATA MECH_NAM_SAPRC07T( 55), MECH_MAP_SAPRC07T( 55) / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07T( 55) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 56), SPMH_MAP_SAPRC07T( 56) / 'selinene_b ', 66 /\n DATA MECH_NAM_SAPRC07T( 56), MECH_MAP_SAPRC07T( 56) / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07T( 56) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 57), SPMH_MAP_SAPRC07T( 57) / 'calarene ', 50 /\n DATA MECH_NAM_SAPRC07T( 57), MECH_MAP_SAPRC07T( 57) / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07T( 57) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 58), SPMH_MAP_SAPRC07T( 58) / 'farnescene_b ', 55 /\n DATA MECH_NAM_SAPRC07T( 58), MECH_MAP_SAPRC07T( 58) / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07T( 58) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 59), SPMH_MAP_SAPRC07T( 59) / 'acoradiene ', 43 /\n DATA MECH_NAM_SAPRC07T( 59), MECH_MAP_SAPRC07T( 59) / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07T( 59) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 60), SPMH_MAP_SAPRC07T( 60) / 'humulene_g ', 60 /\n DATA MECH_NAM_SAPRC07T( 60), MECH_MAP_SAPRC07T( 60) / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07T( 60) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 61), SPMH_MAP_SAPRC07T( 61) / 'muurolene_g ', 62 /\n DATA MECH_NAM_SAPRC07T( 61), MECH_MAP_SAPRC07T( 61) / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07T( 61) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 62), SPMH_MAP_SAPRC07T( 62) / 'germacrene_D ', 58 /\n DATA MECH_NAM_SAPRC07T( 62), MECH_MAP_SAPRC07T( 62) / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07T( 62) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 63), SPMH_MAP_SAPRC07T( 63) / 'cadinene_g ', 49 /\n DATA MECH_NAM_SAPRC07T( 63), MECH_MAP_SAPRC07T( 63) / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07T( 63) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 64), SPMH_MAP_SAPRC07T( 64) / 'nerolidol_t ', 64 /\n DATA MECH_NAM_SAPRC07T( 64), MECH_MAP_SAPRC07T( 64) / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07T( 64) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 65), SPMH_MAP_SAPRC07T( 65) / 'bergamotene_b ', 45 /\n DATA MECH_NAM_SAPRC07T( 65), MECH_MAP_SAPRC07T( 65) / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07T( 65) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 66), SPMH_MAP_SAPRC07T( 66) / 'bisabolene_a ', 46 /\n DATA MECH_NAM_SAPRC07T( 66), MECH_MAP_SAPRC07T( 66) / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07T( 66) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 67), SPMH_MAP_SAPRC07T( 67) / 'cedrol ', 73 /\n DATA MECH_NAM_SAPRC07T( 67), MECH_MAP_SAPRC07T( 67) / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07T( 67) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 68), SPMH_MAP_SAPRC07T( 68) / 'homosalate ', 78 /\n DATA MECH_NAM_SAPRC07T( 68), MECH_MAP_SAPRC07T( 68) / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07T( 68) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 69), SPMH_MAP_SAPRC07T( 69) / '2ethyl_hexyl_salate ', 68 /\n DATA MECH_NAM_SAPRC07T( 69), MECH_MAP_SAPRC07T( 69) / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07T( 69) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 70), SPMH_MAP_SAPRC07T( 70) / 'cedrene_a ', 72 /\n DATA MECH_NAM_SAPRC07T( 70), MECH_MAP_SAPRC07T( 70) / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07T( 70) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 71), SPMH_MAP_SAPRC07T( 71) / 'thujopsene ', 83 /\n DATA MECH_NAM_SAPRC07T( 71), MECH_MAP_SAPRC07T( 71) / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07T( 71) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 72), SPMH_MAP_SAPRC07T( 72) / 'longifolene ', 81 /\n DATA MECH_NAM_SAPRC07T( 72), MECH_MAP_SAPRC07T( 72) / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07T( 72) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 73), SPMH_MAP_SAPRC07T( 73) / 'cadinol_a ', 71 /\n DATA MECH_NAM_SAPRC07T( 73), MECH_MAP_SAPRC07T( 73) / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07T( 73) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 74), SPMH_MAP_SAPRC07T( 74) / 'zingiberene_a ', 85 /\n DATA MECH_NAM_SAPRC07T( 74), MECH_MAP_SAPRC07T( 74) / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07T( 74) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 75), SPMH_MAP_SAPRC07T( 75) / 'isolongifolene ', 79 /\n DATA MECH_NAM_SAPRC07T( 75), MECH_MAP_SAPRC07T( 75) / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07T( 75) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 76), SPMH_MAP_SAPRC07T( 76) / 'longicyclene ', 87 /\n DATA MECH_NAM_SAPRC07T( 76), MECH_MAP_SAPRC07T( 76) / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07T( 76) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 77), SPMH_MAP_SAPRC07T( 77) / 'copaene_a ', 74 /\n DATA MECH_NAM_SAPRC07T( 77), MECH_MAP_SAPRC07T( 77) / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07T( 77) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 78), SPMH_MAP_SAPRC07T( 78) / 'bourbonene_b ', 70 /\n DATA MECH_NAM_SAPRC07T( 78), MECH_MAP_SAPRC07T( 78) / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07T( 78) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 79), SPMH_MAP_SAPRC07T( 79) / 'longipinene ', 82 /\n DATA MECH_NAM_SAPRC07T( 79), MECH_MAP_SAPRC07T( 79) / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07T( 79) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 80), SPMH_MAP_SAPRC07T( 80) / 'cubebene_b ', 76 /\n DATA MECH_NAM_SAPRC07T( 80), MECH_MAP_SAPRC07T( 80) / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07T( 80) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 81), SPMH_MAP_SAPRC07T( 81) / 'ylangene_a ', 84 /\n DATA MECH_NAM_SAPRC07T( 81), MECH_MAP_SAPRC07T( 81) / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07T( 81) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 82), SPMH_MAP_SAPRC07T( 82) / 'cubebene_a ', 75 /\n DATA MECH_NAM_SAPRC07T( 82), MECH_MAP_SAPRC07T( 82) / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07T( 82) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 83), SPMH_MAP_SAPRC07T( 83) / 'copaene_b ', 86 /\n DATA MECH_NAM_SAPRC07T( 83), MECH_MAP_SAPRC07T( 83) / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07T( 83) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 84), SPMH_MAP_SAPRC07T( 84) / 'kaur_16_ene ', 80 /\n DATA MECH_NAM_SAPRC07T( 84), MECH_MAP_SAPRC07T( 84) / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07T( 84) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 85), SPMH_MAP_SAPRC07T( 85) / 'gurjunene_b ', 77 /\n DATA MECH_NAM_SAPRC07T( 85), MECH_MAP_SAPRC07T( 85) / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07T( 85) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 86), SPMH_MAP_SAPRC07T( 86) / 'aromadendrene ', 69 /\n DATA MECH_NAM_SAPRC07T( 86), MECH_MAP_SAPRC07T( 86) / 'SESQ ', 36 /\n DATA CONV_FAC_SAPRC07T( 86) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 87), SPMH_MAP_SAPRC07T( 87) / 'methanol ', 88 /\n DATA MECH_NAM_SAPRC07T( 87), MECH_MAP_SAPRC07T( 87) / 'MEOH ', 23 /\n DATA CONV_FAC_SAPRC07T( 87) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 88), SPMH_MAP_SAPRC07T( 88) / 'acetone ', 89 /\n DATA MECH_NAM_SAPRC07T( 88), MECH_MAP_SAPRC07T( 88) / 'ACETONE ', 20 /\n DATA CONV_FAC_SAPRC07T( 88) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 89), SPMH_MAP_SAPRC07T( 89) / 'ethanol ', 91 /\n DATA MECH_NAM_SAPRC07T( 89), MECH_MAP_SAPRC07T( 89) / 'ETOH ', 55 /\n DATA CONV_FAC_SAPRC07T( 89) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 90), SPMH_MAP_SAPRC07T( 90) / 'acetaldehyde ', 90 /\n DATA MECH_NAM_SAPRC07T( 90), MECH_MAP_SAPRC07T( 90) / 'CCHO ', 17 /\n DATA CONV_FAC_SAPRC07T( 90) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 91), SPMH_MAP_SAPRC07T( 91) / 'formic_acid ', 93 /\n DATA MECH_NAM_SAPRC07T( 91), MECH_MAP_SAPRC07T( 91) / 'HCOOH ', 24 /\n DATA CONV_FAC_SAPRC07T( 91) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 92), SPMH_MAP_SAPRC07T( 92) / 'acetic_acid ', 92 /\n DATA MECH_NAM_SAPRC07T( 92), MECH_MAP_SAPRC07T( 92) / 'CCOOH ', 25 /\n DATA CONV_FAC_SAPRC07T( 92) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 93), SPMH_MAP_SAPRC07T( 93) / 'ethane ', 100 /\n DATA MECH_NAM_SAPRC07T( 93), MECH_MAP_SAPRC07T( 93) / 'ALK1 ', 2 /\n DATA CONV_FAC_SAPRC07T( 93) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 94), SPMH_MAP_SAPRC07T( 94) / 'ethene ', 101 /\n DATA MECH_NAM_SAPRC07T( 94), MECH_MAP_SAPRC07T( 94) / 'ETHENE ', 7 /\n DATA CONV_FAC_SAPRC07T( 94) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 95), SPMH_MAP_SAPRC07T( 95) / 'propane ', 102 /\n DATA MECH_NAM_SAPRC07T( 95), MECH_MAP_SAPRC07T( 95) / 'ALK2 ', 3 /\n DATA CONV_FAC_SAPRC07T( 95) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 96), SPMH_MAP_SAPRC07T( 96) / 'butene ', 97 /\n DATA MECH_NAM_SAPRC07T( 96), MECH_MAP_SAPRC07T( 96) / 'OLE1 ', 8 /\n DATA CONV_FAC_SAPRC07T( 96) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 97), SPMH_MAP_SAPRC07T( 97) / '2_methylprop_1_ene ', 95 /\n DATA MECH_NAM_SAPRC07T( 97), MECH_MAP_SAPRC07T( 97) / 'OLE2 ', 9 /\n DATA CONV_FAC_SAPRC07T( 97) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 98), SPMH_MAP_SAPRC07T( 98) / 'butene_c2 ', 98 /\n DATA MECH_NAM_SAPRC07T( 98), MECH_MAP_SAPRC07T( 98) / 'OLE2 ', 9 /\n DATA CONV_FAC_SAPRC07T( 98) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 99), SPMH_MAP_SAPRC07T( 99) / 'butene_t2 ', 99 /\n DATA MECH_NAM_SAPRC07T( 99), MECH_MAP_SAPRC07T( 99) / 'OLE2 ', 9 /\n DATA CONV_FAC_SAPRC07T( 99) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 100), SPMH_MAP_SAPRC07T( 100) / 'formaldehyde ', 113 /\n DATA MECH_NAM_SAPRC07T( 100), MECH_MAP_SAPRC07T( 100) / 'HCHO ', 16 /\n DATA CONV_FAC_SAPRC07T( 100) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 101), SPMH_MAP_SAPRC07T( 101) / 'met_heptenone ', 106 /\n DATA MECH_NAM_SAPRC07T( 101), MECH_MAP_SAPRC07T( 101) / 'OLE2 ', 9 /\n DATA CONV_FAC_SAPRC07T( 101) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 102), SPMH_MAP_SAPRC07T( 102) / 'geranyl_acetone', 105 /\n DATA MECH_NAM_SAPRC07T( 102), MECH_MAP_SAPRC07T( 102) / 'OLE2 ', 9 /\n DATA CONV_FAC_SAPRC07T( 102) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 103), SPMH_MAP_SAPRC07T( 103) / 'hydrogen_cyanide ', 147 /\n DATA MECH_NAM_SAPRC07T( 103), MECH_MAP_SAPRC07T( 103) / 'HCN ', 37 /\n DATA CONV_FAC_SAPRC07T( 103) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 104), SPMH_MAP_SAPRC07T( 104) / 'linalool ', 150 /\n DATA MECH_NAM_SAPRC07T( 104), MECH_MAP_SAPRC07T( 104) / 'OLE2 ', 2 /\n DATA CONV_FAC_SAPRC07T( 104) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 105), SPMH_MAP_SAPRC07T( 105) / 'methacrolein ', 153 /\n DATA MECH_NAM_SAPRC07T( 105), MECH_MAP_SAPRC07T( 105) / 'MACR ', 31 /\n DATA CONV_FAC_SAPRC07T( 105) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 106), SPMH_MAP_SAPRC07T( 106) / 'met_vinylketone ', 158 /\n DATA MECH_NAM_SAPRC07T( 106), MECH_MAP_SAPRC07T( 106) / 'MVK ', 32 /\n DATA CONV_FAC_SAPRC07T( 106) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 107), SPMH_MAP_SAPRC07T( 107) / 'hexanol_1 ', 142 /\n DATA MECH_NAM_SAPRC07T( 107), MECH_MAP_SAPRC07T( 107) / 'ALK5 ', 6 /\n DATA CONV_FAC_SAPRC07T( 107) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 108), SPMH_MAP_SAPRC07T( 108) / 'met_salicylate ', 156 /\n DATA MECH_NAM_SAPRC07T( 108), MECH_MAP_SAPRC07T( 108) / 'CRES ', 30 /\n DATA CONV_FAC_SAPRC07T( 108) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 109), SPMH_MAP_SAPRC07T( 109) / 'cineole_1_8 ', 133 /\n DATA MECH_NAM_SAPRC07T( 109), MECH_MAP_SAPRC07T( 109) / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07T( 109) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 110), SPMH_MAP_SAPRC07T( 110) / 'hexenol_c3 ', 145 /\n DATA MECH_NAM_SAPRC07T( 110), MECH_MAP_SAPRC07T( 110) / 'ALK5 ', 6 /\n DATA CONV_FAC_SAPRC07T( 110) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 111), SPMH_MAP_SAPRC07T( 111) / 'hexenyl_ACT_c3 ', 146 /\n DATA MECH_NAM_SAPRC07T( 111), MECH_MAP_SAPRC07T( 111) / 'OLE2 ', 9 /\n DATA CONV_FAC_SAPRC07T( 111) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 112), SPMH_MAP_SAPRC07T( 112) / '2met_nonatriene ', 137 /\n DATA MECH_NAM_SAPRC07T( 112), MECH_MAP_SAPRC07T( 112) / 'OLE2 ', 9 /\n DATA CONV_FAC_SAPRC07T( 112) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 113), SPMH_MAP_SAPRC07T( 113) / 'methane ', 184 /\n DATA MECH_NAM_SAPRC07T( 113), MECH_MAP_SAPRC07T( 113) / 'CH4 ', 1 /\n DATA CONV_FAC_SAPRC07T( 113) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 114), SPMH_MAP_SAPRC07T( 114) / 'met_bromide ', 185 /\n DATA MECH_NAM_SAPRC07T( 114), MECH_MAP_SAPRC07T( 114) / 'CH3BR ', 38 /\n DATA CONV_FAC_SAPRC07T( 114) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 115), SPMH_MAP_SAPRC07T( 115) / 'met_chloride ', 186 /\n DATA MECH_NAM_SAPRC07T( 115), MECH_MAP_SAPRC07T( 115) / 'CH3CL ', 39 /\n DATA CONV_FAC_SAPRC07T( 115) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 116), SPMH_MAP_SAPRC07T( 116) / 'met_iodide ', 187 /\n DATA MECH_NAM_SAPRC07T( 116), MECH_MAP_SAPRC07T( 116) / 'CH3I ', 40 /\n DATA CONV_FAC_SAPRC07T( 116) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 117), SPMH_MAP_SAPRC07T( 117) / 'met_mercaptan ', 188 /\n DATA MECH_NAM_SAPRC07T( 117), MECH_MAP_SAPRC07T( 117) / 'TRS ', 41 /\n DATA CONV_FAC_SAPRC07T( 117) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 118), SPMH_MAP_SAPRC07T( 118) / 'carbon_2s ', 171 /\n DATA MECH_NAM_SAPRC07T( 118), MECH_MAP_SAPRC07T( 118) / 'TRS ', 41 /\n DATA CONV_FAC_SAPRC07T( 118) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 119), SPMH_MAP_SAPRC07T( 119) / '2met_s ', 176 /\n DATA MECH_NAM_SAPRC07T( 119), MECH_MAP_SAPRC07T( 119) / 'TRS ', 41 /\n DATA CONV_FAC_SAPRC07T( 119) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 120), SPMH_MAP_SAPRC07T( 120) / 'butanone_2 ', 170 /\n DATA MECH_NAM_SAPRC07T( 120), MECH_MAP_SAPRC07T( 120) / 'MEK ', 21 /\n DATA CONV_FAC_SAPRC07T( 120) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 121), SPMH_MAP_SAPRC07T( 121) / 'terpinyl_ACT_a ', 197 /\n DATA MECH_NAM_SAPRC07T( 121), MECH_MAP_SAPRC07T( 121) / 'TERP ', 11 /\n DATA CONV_FAC_SAPRC07T( 121) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 122), SPMH_MAP_SAPRC07T( 122) / 'pentane ', 193 /\n DATA MECH_NAM_SAPRC07T( 122), MECH_MAP_SAPRC07T( 122) / 'ALK4 ', 5 /\n DATA CONV_FAC_SAPRC07T( 122) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 123), SPMH_MAP_SAPRC07T( 123) / 'hexane ', 181 /\n DATA MECH_NAM_SAPRC07T( 123), MECH_MAP_SAPRC07T( 123) / 'ALK5 ', 6 /\n DATA CONV_FAC_SAPRC07T( 123) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 124), SPMH_MAP_SAPRC07T( 124) / 'decane ', 173 /\n DATA MECH_NAM_SAPRC07T( 124), MECH_MAP_SAPRC07T( 124) / 'ALK5 ', 6 /\n DATA CONV_FAC_SAPRC07T( 124) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 125), SPMH_MAP_SAPRC07T( 125) / 'heptane ', 179 /\n DATA MECH_NAM_SAPRC07T( 125), MECH_MAP_SAPRC07T( 125) / 'ALK5 ', 6 /\n DATA CONV_FAC_SAPRC07T( 125) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 126), SPMH_MAP_SAPRC07T( 126) / 'carbonyl_s ', 172 /\n DATA MECH_NAM_SAPRC07T( 126), MECH_MAP_SAPRC07T( 126) / 'TRS ', 41 /\n DATA CONV_FAC_SAPRC07T( 126) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 127), SPMH_MAP_SAPRC07T( 127) / '2met_2s ', 175 /\n DATA MECH_NAM_SAPRC07T( 127), MECH_MAP_SAPRC07T( 127) / 'TRS ', 41 /\n DATA CONV_FAC_SAPRC07T( 127) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 128), SPMH_MAP_SAPRC07T( 128) / 'undecane ', 199 /\n DATA MECH_NAM_SAPRC07T( 128), MECH_MAP_SAPRC07T( 128) / 'ALK5 ', 6 /\n DATA CONV_FAC_SAPRC07T( 128) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 129), SPMH_MAP_SAPRC07T( 129) / 'tetradecene_1 ', 198 /\n DATA MECH_NAM_SAPRC07T( 129), MECH_MAP_SAPRC07T( 129) / 'OLE1 ', 8 /\n DATA CONV_FAC_SAPRC07T( 129) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 130), SPMH_MAP_SAPRC07T( 130) / 'diallyl_2s ', 174 /\n DATA MECH_NAM_SAPRC07T( 130), MECH_MAP_SAPRC07T( 130) / 'TRS ', 41 /\n DATA CONV_FAC_SAPRC07T( 130) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 131), SPMH_MAP_SAPRC07T( 131) / 'PPPP_2s ', 194 /\n DATA MECH_NAM_SAPRC07T( 131), MECH_MAP_SAPRC07T( 131) / 'TRS ', 41 /\n DATA CONV_FAC_SAPRC07T( 131) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 132), SPMH_MAP_SAPRC07T( 132) / 'met_propenyl_2s ', 189 /\n DATA MECH_NAM_SAPRC07T( 132), MECH_MAP_SAPRC07T( 132) / 'TRS ', 41 /\n DATA CONV_FAC_SAPRC07T( 132) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 133), SPMH_MAP_SAPRC07T( 133) / 'hydrogen_s ', 182 /\n DATA MECH_NAM_SAPRC07T( 133), MECH_MAP_SAPRC07T( 133) / 'TRS ', 41 /\n DATA CONV_FAC_SAPRC07T( 133) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 134), SPMH_MAP_SAPRC07T( 134) / 'carbon_monoxide ', 200 /\n DATA MECH_NAM_SAPRC07T( 134), MECH_MAP_SAPRC07T( 134) / 'CO ', 35 /\n DATA CONV_FAC_SAPRC07T( 134) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 135), SPMH_MAP_SAPRC07T( 135) / 'nitric_OXD ', 201 /\n DATA MECH_NAM_SAPRC07T( 135), MECH_MAP_SAPRC07T( 135) / 'NO ', 42 /\n DATA CONV_FAC_SAPRC07T( 135) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 136), SPMH_MAP_SAPRC07T( 136) / 'pinene_a ', 3 /\n DATA MECH_NAM_SAPRC07T( 136), MECH_MAP_SAPRC07T( 136) / 'APIN ', 45 /\n DATA CONV_FAC_SAPRC07T( 136) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 137), SPMH_MAP_SAPRC07T( 137) / 'formaldehyde ', 113 /\n DATA MECH_NAM_SAPRC07T( 137), MECH_MAP_SAPRC07T( 137) / 'HCHO_PRIMARY', 46 /\n DATA CONV_FAC_SAPRC07T( 137) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 138), SPMH_MAP_SAPRC07T( 138) / 'acetaldehyde ', 90 /\n DATA MECH_NAM_SAPRC07T( 138), MECH_MAP_SAPRC07T( 138) / 'CCHO_PRIMARY', 47 /\n DATA CONV_FAC_SAPRC07T( 138) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 139), SPMH_MAP_SAPRC07T( 139) / 'hexanal ', 141 /\n DATA MECH_NAM_SAPRC07T( 139), MECH_MAP_SAPRC07T( 139) / 'RCHO', 18 /\n DATA CONV_FAC_SAPRC07T( 139) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 140), SPMH_MAP_SAPRC07T( 140) / 'hexanal_c3 ', 143 /\n DATA MECH_NAM_SAPRC07T( 140), MECH_MAP_SAPRC07T( 140) / 'RCHO', 18 /\n DATA CONV_FAC_SAPRC07T( 140) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 141), SPMH_MAP_SAPRC07T( 141) / 'hexanal_t2 ', 144 /\n DATA MECH_NAM_SAPRC07T( 141), MECH_MAP_SAPRC07T( 141) / 'RCHO', 18 /\n DATA CONV_FAC_SAPRC07T( 141) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 142), SPMH_MAP_SAPRC07T( 142) / 'heptanal ', 178 /\n DATA MECH_NAM_SAPRC07T( 142), MECH_MAP_SAPRC07T( 142) / 'RCHO', 18 /\n DATA CONV_FAC_SAPRC07T( 142) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 143), SPMH_MAP_SAPRC07T( 143) / 'decanal ', 104 /\n DATA MECH_NAM_SAPRC07T( 143), MECH_MAP_SAPRC07T( 143) / 'RCHO', 18 /\n DATA CONV_FAC_SAPRC07T( 143) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 144), SPMH_MAP_SAPRC07T( 144) / 'nonanal ', 108 /\n DATA MECH_NAM_SAPRC07T( 144), MECH_MAP_SAPRC07T( 144) / 'RCHO', 18 /\n DATA CONV_FAC_SAPRC07T( 144) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 145), SPMH_MAP_SAPRC07T( 145) / 'octanal ', 110 /\n DATA MECH_NAM_SAPRC07T( 145), MECH_MAP_SAPRC07T( 145) / 'RCHO', 18 /\n DATA CONV_FAC_SAPRC07T( 145) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 146), SPMH_MAP_SAPRC07T( 146) / 'pentanal ', 111 / \n DATA MECH_NAM_SAPRC07T( 146), MECH_MAP_SAPRC07T( 146) / 'RCHO', 18 /\n DATA CONV_FAC_SAPRC07T( 146) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 147), SPMH_MAP_SAPRC07T( 147) / 'oxopentanal ', 114 /\n DATA MECH_NAM_SAPRC07T( 147), MECH_MAP_SAPRC07T( 147) / 'RCHO', 18 /\n DATA CONV_FAC_SAPRC07T( 147) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 148), SPMH_MAP_SAPRC07T( 148) / 'xylene ', 166 /\n DATA MECH_NAM_SAPRC07T( 148), MECH_MAP_SAPRC07T( 148) / 'MXYL', 48 /\n DATA CONV_FAC_SAPRC07T( 148) / 0.334 / \n \n DATA SPMH_NAM_SAPRC07T( 149), SPMH_MAP_SAPRC07T( 149) / 'xylene ', 166 /\n DATA MECH_NAM_SAPRC07T( 149), MECH_MAP_SAPRC07T( 149) / 'OXYL', 49 /\n DATA CONV_FAC_SAPRC07T( 149) / 0.333 / \n \n DATA SPMH_NAM_SAPRC07T( 150), SPMH_MAP_SAPRC07T( 150) / 'xylene ', 166 /\n DATA MECH_NAM_SAPRC07T( 150), MECH_MAP_SAPRC07T( 150) / 'PXYL', 50 /\n DATA CONV_FAC_SAPRC07T( 150) / 0.333 / \n \n DATA SPMH_NAM_SAPRC07T( 151), SPMH_MAP_SAPRC07T( 151) / 'naphthalene ', 192 /\n DATA MECH_NAM_SAPRC07T( 151), MECH_MAP_SAPRC07T( 151) / 'NAPHTHALENE', 51 /\n DATA CONV_FAC_SAPRC07T( 151) / 1 / \n\n DATA SPMH_NAM_SAPRC07T( 152), SPMH_MAP_SAPRC07T( 152) / 'toluene ', 166 /\n DATA MECH_NAM_SAPRC07T( 152), MECH_MAP_SAPRC07T( 152) / 'TOLU', 53 /\n DATA CONV_FAC_SAPRC07T( 152) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 153), SPMH_MAP_SAPRC07T( 153) / 'phenol ', 166 /\n DATA MECH_NAM_SAPRC07T( 153), MECH_MAP_SAPRC07T( 153) / 'CRES', 30 /\n DATA CONV_FAC_SAPRC07T( 153) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 154), SPMH_MAP_SAPRC07T( 154) / 'eugenol ', 166 /\n DATA MECH_NAM_SAPRC07T( 154), MECH_MAP_SAPRC07T( 154) / 'CRES', 30 /\n DATA CONV_FAC_SAPRC07T( 154) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 155), SPMH_MAP_SAPRC07T( 155) / 'propene ', 103 /\n DATA MECH_NAM_SAPRC07T( 155), MECH_MAP_SAPRC07T( 155) / 'PROPENE', 54 /\n DATA CONV_FAC_SAPRC07T( 155) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 156), SPMH_MAP_SAPRC07T( 156) / 'pyruvic_acid', 94 /\n DATA MECH_NAM_SAPRC07T( 156), MECH_MAP_SAPRC07T( 156) / 'BACL', 29 /\n DATA CONV_FAC_SAPRC07T( 156) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 157), SPMH_MAP_SAPRC07T( 157) / 'indole', 183 /\n DATA MECH_NAM_SAPRC07T( 157), MECH_MAP_SAPRC07T( 157) / 'ARO1', 13 /\n DATA CONV_FAC_SAPRC07T( 157) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 158), SPMH_MAP_SAPRC07T( 158) / '3_metfuran', 119 /\n DATA MECH_NAM_SAPRC07T( 158), MECH_MAP_SAPRC07T( 158) / 'ALK5', 6 /\n DATA CONV_FAC_SAPRC07T( 158) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 159), SPMH_MAP_SAPRC07T( 159) / 'met_jasmonate', 155 /\n DATA MECH_NAM_SAPRC07T( 159), MECH_MAP_SAPRC07T( 159) / 'OLE2', 9 /\n DATA CONV_FAC_SAPRC07T( 159) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 160), SPMH_MAP_SAPRC07T( 160) / 'linalool_OXD_t', 155 /\n DATA MECH_NAM_SAPRC07T( 160), MECH_MAP_SAPRC07T( 160) / 'OLE1', 8 /\n DATA CONV_FAC_SAPRC07T( 160) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 161), SPMH_MAP_SAPRC07T( 161) / '1_petanol', 115 /\n DATA MECH_NAM_SAPRC07T( 161), MECH_MAP_SAPRC07T( 161) / 'ALK5', 6 /\n DATA CONV_FAC_SAPRC07T( 161) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 162), SPMH_MAP_SAPRC07T( 162) / '1_penten_3_one', 116 /\n DATA MECH_NAM_SAPRC07T( 162), MECH_MAP_SAPRC07T( 162) / 'MEK', 21 /\n DATA CONV_FAC_SAPRC07T( 162) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 163), SPMH_MAP_SAPRC07T( 163) / 't-2-octenal', 111 /\n DATA MECH_NAM_SAPRC07T( 163), MECH_MAP_SAPRC07T( 163) / 'RCHO', 48 /\n DATA CONV_FAC_SAPRC07T( 163) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 164), SPMH_MAP_SAPRC07T( 164) / 'neryl_acetone', 107 /\n DATA MECH_NAM_SAPRC07T( 164), MECH_MAP_SAPRC07T( 164) / 'OLE2 ', 9 /\n DATA CONV_FAC_SAPRC07T( 164) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 165), SPMH_MAP_SAPRC07T( 165) / 'MBO_3m3e1ol ', 191 /\n DATA MECH_NAM_SAPRC07T( 165), MECH_MAP_SAPRC07T( 165) / 'OLE2 ', 9 /\n DATA CONV_FAC_SAPRC07T( 165) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 166), SPMH_MAP_SAPRC07T( 166) / 'santene ', 195 /\n DATA MECH_NAM_SAPRC07T( 166), MECH_MAP_SAPRC07T( 166) / 'APIN ', 45 /\n DATA CONV_FAC_SAPRC07T( 166) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 167), SPMH_MAP_SAPRC07T( 167) / 'skatole ', 196 /\n DATA MECH_NAM_SAPRC07T( 167), MECH_MAP_SAPRC07T( 167) / 'ARO1 ', 13 /\n DATA CONV_FAC_SAPRC07T( 167) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 168), SPMH_MAP_SAPRC07T( 168) / 'dodecene_1 ', 177 /\n DATA MECH_NAM_SAPRC07T( 168), MECH_MAP_SAPRC07T( 168) / 'OLE1 ', 8 /\n DATA CONV_FAC_SAPRC07T( 168) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 169), SPMH_MAP_SAPRC07T( 169) / 'benzene ', 128 /\n DATA MECH_NAM_SAPRC07T( 169), MECH_MAP_SAPRC07T( 169) / 'BENZ ', 12 /\n DATA CONV_FAC_SAPRC07T( 169) / 1 / \n \n DATA SPMH_NAM_SAPRC07T( 170), SPMH_MAP_SAPRC07T( 170) / 'carbonyl_2s ', 171 /\n DATA MECH_NAM_SAPRC07T( 170), MECH_MAP_SAPRC07T( 170) / 'OCS ', 52 /\n DATA CONV_FAC_SAPRC07T( 170) / 1 / \n" }, { "path": "CCTM/src/biog/megan3/MEGAN_DEFN.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\n! Used to calculate biogenic emissions. First available in CMAQ 5.4\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n MODULE MEGAN_DEFN\n\nC-----------------------------------------------------------------------\nC Function: biogenics emissions interface to the chemistry-transport model\n \n USE RUNTIME_VARS\n USE MEGAN_FX\n IMPLICIT NONE\n\n REAL, ALLOCATABLE, SAVE :: VDEMIS_ME( :,:,: ) ! megan emis\n\n CONTAINS\n\nC=======================================================================\n FUNCTION MEGAN_INIT( JDATE, JTIME, TSTEP ) RESULT ( SUCCESS )\n\n USE HGRD_DEFN\n USE CGRID_SPCS ! CGRID mechanism species\n USE BIOG_EMIS ! from beis\n USE centralized_io_module, only : soilinp_setup\n USE MEGAN_GSPRO\n#ifdef mpas\n USE utilio_defn\n#endif\n\n IMPLICIT NONE\n\n INTEGER JDATE, JTIME, TSTEP\n LOGICAL SUCCESS\n\n CHARACTER( 16 ) :: PNAME = 'MEGAN_INIT'\n CHARACTER( 80 ) :: VARDESC ! env variable description\n CHARACTER( 120 ) :: XMSG = ' ' \n INTEGER V, K, STATUS\n\nC-----------------------------------------------------------------------\n\n SUCCESS = .TRUE.\n\nC In-line biogenic emissions?\n CALL LOG_SUBHEADING( LOGDEV, 'Initialize Online Biogenic VOC Emissions Module ' )\n\nC biogenics to gas-phase species map\n IF ( BIOGEMIS_MEGAN ) THEN\n\n CALL MEGAN_MAP\n\n XMSG = 'Using in-line biogenic emissions option (MEGAN)'\n\n DESID_EMVAR( IMIOGSRM )%LEN = NMGNSPC\n ALLOCATE( DESID_EMVAR( IMIOGSRM )%ARRY ( NMGNSPC ) )\n ALLOCATE( DESID_EMVAR( IMIOGSRM )%UNITS( NMGNSPC ) )\n ALLOCATE( DESID_EMVAR( IMIOGSRM )%MW ( NMGNSPC ) )\n ALLOCATE( DESID_EMVAR( IMIOGSRM )%USED ( NMGNSPC ) )\n ALLOCATE( DESID_EMVAR( IMIOGSRM )%CONV ( NMGNSPC ) )\n ALLOCATE( DESID_EMVAR( IMIOGSRM )%BASIS( NMGNSPC ) )\n ALLOCATE( DESID_EMVAR( IMIOGSRM )%LAREA( NMGNSPC ) )\n ALLOCATE( DESID_EMVAR( IMIOGSRM )%LAREAADJ( NMGNSPC ) )\n \n DESID_EMVAR( IMIOGSRM )%ARRY = MEGAN_NAMES\n DESID_EMVAR( IMIOGSRM )%UNITS = 'MOLES/S'\n DESID_EMVAR( IMIOGSRM )%MW = 1.0\n DESID_EMVAR( IMIOGSRM )%USED = .FALSE.\n DESID_EMVAR( IMIOGSRM )%CONV = 1.0\n DESID_EMVAR( IMIOGSRM )%BASIS = 'UNIT' \n DESID_EMVAR( IMIOGSRM )%LAREA = .FALSE.\n DESID_EMVAR( IMIOGSRM )%LAREAADJ = .FALSE.\n\n ALLOCATE( VDEMIS_ME( NMGNSPC,NCOLS,NROWS ), STAT = STATUS )\n IF ( STATUS .NE. 0 ) THEN\n XMSG = 'VDEMIS_ME memory allocation failed'\n SUCCESS = .FALSE.; RETURN\n END IF\n\n#ifdef mpas\n call mio_setfile ('GR_EMIS_001')\n\n call mio_fcreate ('MEGAN_OUTPUT',512 ) ! 512 means clobber+netcdf64\n if (BDSNP_MEGAN) then\n call mio_fcreate ('BDSNPOUT',512 ) ! 512 means clobber+netcdf64\n call mio_fcreate ('BDSNP_DIAG',512 ) ! 512 means clobber+netcdf64\n end if\n#endif\n END IF\n\n SUCCESS = .TRUE.; RETURN\n\n END FUNCTION MEGAN_INIT\nC=======================================================================\n\n SUBROUTINE GET_MEGAN ( JDATE, JTIME, TSTEP, L_DESID_DIAG )\n \n USE centralized_io_module, only : ldf,ctf,t24y,sw24y,lai_m,lai_y\n USE centralized_io_util_module\n USE ASX_DATA_MOD \n USE hgrd_defn, only : ncols, nrows\n USE RUNTIME_VARS, only : NEW_START,IGNORE_SOILINP,logdev\n USE UTILIO_DEFN\n USE MEGAN_HRNO_MOD\n USE DESID_VARS, ONLY : DESID_N_ISTR, IMIOGSRM,\n & MAP_ISTRtoEMVAR, MAP_ISTRtoDIFF\n USE GRID_CONF, ONLY: GDTYP_GD, XCELL_GD, YCELL_GD, YORIG_GD, GL_NROWS\n USE MEGAN_GSPRO\n\n IMPLICIT NONE\n\n LOGICAL, INTENT( IN ) :: L_DESID_DIAG\n\n CHARACTER (20) :: TIME_STAMP\n INTEGER JDATE, JTIME, TSTEP( 3 ), ISTR, io_mode, LAYERS\n INTEGER I, J,MXLAI, LAIp_I,LAIc_i\n REAL JDAY, JYEAR, ZTIME\n REAL :: CURRHR ! current GMT hour\n\n REAL shadeleafTK(ncols,nrows,5)\n REAL sunleafTK(ncols,nrows,5) \n REAL sunfrac(ncols,nrows,5)\n REAL sunppfd(ncols,nrows,5)\n REAL shadeppfd(ncols,nrows,5)\n\n REAL er(ncols,nrows) \n REAL non_dimgarma(19,ncols,nrows)\n REAL out_to_cmaq(NMGNSPC,ncols,nrows) ! \n REAL CFNO(ncols,nrows) ! emission activity for crop\n REAL CFNOG(ncols,nrows) ! \" \" for grass\n REAL GAMSM(ncols,nrows) ! soil moisture activity for isop\n REAL GAMNO(ncols,nrows) ! final NO emission activity\n REAL BDSNP_NO_out(ncols,nrows) ! final NO emission activity from BDSNP\n\n REAL PRECADJ(ncols,nrows)\n REAL LAIP ( NCOLS, NROWS ) ! previous LAI \n REAL LAIC ( NCOLS, NROWS ) ! current LAI \n\n CHARACTER( 16 ) :: PNAME = 'MEGAN_DEFN'\n CHARACTER( 120 ) :: XMSG = ' '\n\n INTEGER, SAVE :: MGN_IHR ! current simulation hour\n INTEGER MGN_NDX ! RAINFALL array timestep index\n! Calculate cell area. \n! Could be removed in favor of DESID changes\n REAL DX1, DX2 ! grid-cell width and length\n REAL, ALLOCATABLE :: LOC_CELL_AREA(:,:) ! grid-cell area [m2]\n REAL :: LOC_MSFX2(NCOLS,NROWS)\n INTEGER :: STAT\n\n if (.not. allocated(loc_cell_area)) then\n allocate (loc_cell_area(ncols, nrows), stat=stat)\n end if\n\n#ifdef mpas \n loc_msfx2 = 1.0\n loc_cell_area = cell_area\n !output_step = time2sec(tstep(1))\n !half_syn_step = time2sec(tstep(2)) / 2\n JDAY = FLOAT( MOD( JDATE, 1000 ) )\n JYEAR = FLOAT( JDATE / 1000 ) \n CURRHR = REAL ( TIME2SEC( JTIME ) ) / 3600.0\n#else\n JDAY = FLOAT( MOD( JDATE, 1000 ) )\n JYEAR = FLOAT( JDATE / 1000 ) \n CURRHR = REAL ( TIME2SEC( JTIME ) ) / 3600.0\n\n ! *** Get length and width of each grid cell\n IF ( GDTYP_GD .EQ. LATGRD3 ) THEN\n DX1 = DG2M * XCELL_GD ! in m\n DX2 = DG2M * YCELL_GD\n & * COS( PI180*( YORIG_GD + YCELL_GD\n & * FLOAT( GL_NROWS/2 ) ) ) ! in m\n ELSE\n DX1 = XCELL_GD ! in m\n DX2 = YCELL_GD ! in m\n END IF\n\n LOC_CELL_AREA = DX1 * DX2\n loc_msfx2 = msfx2\n#endif\n non_dimgarma = 0.\n LAYERS = 5 ! canopy layers\n\n\n ! This option is only included for users who wish to confirm\n ! that their results match with offline MEGAN 3.2\n IF (USE_MEGAN_LAI) THEN ! Read from the preprocessed file\n MXLAI = 46 ! 8-daily\n ! hard coded to avoid excessive environmental\n ! variables. MEGAN3.2 offers monthly and 10-day options.\n CALL FINDLAI( JDATE, MXLAI, MXLAI, LAIp_I, LAIc_I)\n laip(:,:) = lai_m(:,:,laip_i)\n laic(:,:) = lai_m(:,:,laic_i)\n ELSE ! Take daily values from WRF/MCI\n laip = LAI_Y\n laic = Met_data%LAI \n END IF\n\n! Canopy light calculation\n CALL MEGCANOPY( JYEAR, LAYERS, JDAY,CURRHR, \n & grid_data%lat, grid_data%lon, laic, \n & met_data%TEMP2, met_data%rgrnd, met_data%wspd10,\n & met_data%prsfc, met_data%Q2, ctf(1:6,:,:),\n & ShadeleafTK, SunleafTK, SunFrac, SunPPFD, ShadePPFD)\n\n! MEGAN_HRNO is here so we have rainfall/pulse/PRECADJ, temp and radiation \n! for prev 24 hrs. Also used to get save daily LAI.\n precadj=0. \n CALL MEGAN_HRNO( JDATE, JTIME, TSTEP, L_DESID_DIAG,PRECADJ)\n\n! SOIL NITROGEN CALCULATION\n! We call MEGVSA for GAMSM if using BDSNP or \n! turning on drought stress. Used for\n! GAMNO if using MEGAN YL95 for soil NO\n CFNO = 0 \n CFNOG = 0 \n GAMNO = 0\n bdsnp_no_out = 0. \n\n CALL MEGVSA (JDATE,JTIME,TSTEP,JYEAR,JDAY,\n & L_DESID_DIAG,Grid_Data%SLTYP, \n & ctf(1:6,:,:),laic, grid_data%lat, \n & met_data%TEMP2,Met_Data%SOIM1, Met_Data%SOIM2,\n & Met_Data%SOIT1,PRECADJ,\n & CFNO, CFNOG, GAMSM, GAMNO,BDSNP_NO_out)\n\n IF ( NEW_START .or. IGNORE_SOILINP) THEN\n t24y = met_data%temp2 ! use instantaneous values if no 24h avg\n sw24y = met_data%rgrnd\n laip = laic ! no veg growth for first day of simulation\n END IF\n\n! Emission activity calculation\n CALL MEGVEA( LAYERS, JDATE, CURRHR, \n & laip,laic,ldf,\n & GAMSM, met_data%TEMP2,met_data%TEMP2,\n & met_data%wspd10, \n & t24y, sw24y, sunleaftk, shadeleaftk, \n & sunfrac, sunppfd, shadeppfd,ER, NON_DIMGARMA )\n\n! Speciate for mechanism\n if(bdsnp_megan) then\n CALL convert2mech(bdsnp_no_out,non_dimgarma,out_to_cmaq)\n else\n CALL convert2mech(gamno,non_dimgarma,out_to_cmaq)\n end if\n! Units for use by EMIS_DEFN.F via vdemis_me: [moles/s/m2]\n do i=1,NMGNSPC\n vdemis_me(i,:,:) = out_to_cmaq(i,:,:)*loc_cell_area/loc_msfx2\n end do\n\n#ifdef mpas\n call mio_time_format_conversion (jdate, jtime, time_stamp)\n IF (L_DESID_DIAG) THEN\n do i=1,NMGNSPC\n call mio_fwrite('MEGAN_OUTPUT',trim(MEGAN_NAMES(i)), pname,\n & out_to_cmaq(i,:,1),time_stamp)\n end do\n END IF\n#endif\n\n RETURN\n END SUBROUTINE GET_MEGAN\n\n END MODULE MEGAN_DEFN\n\n" }, { "path": "CCTM/src/biog/megan3/SPC_CB05.EXT", "content": "C=======================================================================\nC SPC_CB05.EXT\nC This include file contains CB05 (CMAQ/CAMx) species and their MW.\nC\nC\nC Mechanism Name: CB05 (CMAQ/CAMx)\nC MEGAN v3\nC INPUT version x.x\nC\nC History:\nC Who When What\nC ---------------------------------------------------------------------\nC bkoo 04/13/07 - Created\nC Ling Huang 06/08/17 - updated for MEGANv3 with new species\nC=======================================================================\n\n CHARACTER*16 SPC_CB05MECH\n PARAMETER (SPC_CB05MECH = 'CB05 ')\n\n INTEGER N_CB05_SPC\n PARAMETER (N_CB05_SPC = 29)\n\n CHARACTER*16 MECH_SPC_CB05( N_CB05_SPC ) ! Mechanism species name\n REAL MECH_MWT_CB05( N_CB05_SPC ) ! Mechanism species molecular weight\n\n\n DATA MECH_SPC_CB05( 1), MECH_MWT_CB05( 1) / 'ISOP ', 68.12 /\n DATA MECH_SPC_CB05( 2), MECH_MWT_CB05( 2) / 'TERP ', 136.23 /\n DATA MECH_SPC_CB05( 3), MECH_MWT_CB05( 3) / 'PAR ', 14.43 /\n DATA MECH_SPC_CB05( 4), MECH_MWT_CB05( 4) / 'XYL ', 106.17 /\n DATA MECH_SPC_CB05( 5), MECH_MWT_CB05( 5) / 'OLE ', 27.65 /\n DATA MECH_SPC_CB05( 6), MECH_MWT_CB05( 6) / 'NR ', 16.00 /\n DATA MECH_SPC_CB05( 7), MECH_MWT_CB05( 7) / 'MEOH ', 32.04 /\n DATA MECH_SPC_CB05( 8), MECH_MWT_CB05( 8) / 'CH4 ', 16.04 /\n DATA MECH_SPC_CB05( 9), MECH_MWT_CB05( 9) / 'NH3 ', 17.03 /\n DATA MECH_SPC_CB05( 10), MECH_MWT_CB05( 10) / 'NO ', 46.00 /\n DATA MECH_SPC_CB05( 11), MECH_MWT_CB05( 11) / 'ALD2 ', 44.05 /\n DATA MECH_SPC_CB05( 12), MECH_MWT_CB05( 12) / 'ETOH ', 46.07 /\n DATA MECH_SPC_CB05( 13), MECH_MWT_CB05( 13) / 'FORM ', 30.03 /\n DATA MECH_SPC_CB05( 14), MECH_MWT_CB05( 14) / 'ALDX ', 43.65 /\n DATA MECH_SPC_CB05( 15), MECH_MWT_CB05( 15) / 'TOL ', 92.14 /\n DATA MECH_SPC_CB05( 16), MECH_MWT_CB05( 16) / 'IOLE ', 56.11 /\n DATA MECH_SPC_CB05( 17), MECH_MWT_CB05( 17) / 'CO ', 28.01 /\n DATA MECH_SPC_CB05( 18), MECH_MWT_CB05( 18) / 'ETHA ', 30.07 /\n DATA MECH_SPC_CB05( 19), MECH_MWT_CB05( 19) / 'ETH ', 28.05 /\n DATA MECH_SPC_CB05( 20), MECH_MWT_CB05( 20) / 'AACD ', 60.05 /\n DATA MECH_SPC_CB05( 21), MECH_MWT_CB05( 21) / 'FACD ', 46.03 /\n DATA MECH_SPC_CB05( 22), MECH_MWT_CB05( 22) / 'HCN ', 27.03 /\n DATA MECH_SPC_CB05( 23), MECH_MWT_CB05( 23) / 'ISPD ', 70.09 /\n DATA MECH_SPC_CB05( 24), MECH_MWT_CB05( 24) / 'N2O ', 44.01 /\n DATA MECH_SPC_CB05( 25), MECH_MWT_CB05( 25) / 'SESQ ', 204.35 /\n DATA MECH_SPC_CB05( 26), MECH_MWT_CB05( 26) / 'TRS ', 34.08 /\n DATA MECH_SPC_CB05( 27), MECH_MWT_CB05( 27) / 'CH3BR ', 94.94 /\n DATA MECH_SPC_CB05( 28), MECH_MWT_CB05( 28) / 'CH3CL ', 50.49 /\n DATA MECH_SPC_CB05( 29), MECH_MWT_CB05( 29) / 'CH3I ', 141.94 /\n" }, { "path": "CCTM/src/biog/megan3/SPC_CB6.EXT", "content": "C=======================================================================\nC SPC_CB6.EXT\nC This include file contains CB6 (CMAQ/CAMx) species and their MW.\nC\nC\nC Mechanism Name: CB6 (CMAQ/CAMx)\nC MEGAN v3\nC INPUT version x.x\nC\nC History:\nC Who When What\nC ---------------------------------------------------------------------\nC bkoo 04/13/07 - Created\nC Tan 07/18/11 - Updated for MEGANv2.10\nC Ling Huang 06/08/17 - updated for MEGANv3 with new species\nC=======================================================================\n\n CHARACTER*16 SPC_CB6MECH\n PARAMETER (SPC_CB6MECH = 'CB6 ')\n\n INTEGER N_CB6_SPC\n PARAMETER (N_CB6_SPC = 36)\n\n CHARACTER*16 MECH_SPC_CB6( N_CB6_SPC ) ! Mechanism species name\n REAL MECH_MWT_CB6( N_CB6_SPC ) ! Mechanism species molecular weight\n\n\n DATA MECH_SPC_CB6( 1), MECH_MWT_CB6( 1) / 'ISOP ', 68.12 /\n DATA MECH_SPC_CB6( 2), MECH_MWT_CB6( 2) / 'TERP ', 136.23 /\n DATA MECH_SPC_CB6( 3), MECH_MWT_CB6( 3) / 'PAR ', 14.43 /\n DATA MECH_SPC_CB6( 4), MECH_MWT_CB6( 4) / 'XYL ', 106.17 /\n DATA MECH_SPC_CB6( 5), MECH_MWT_CB6( 5) / 'OLE ', 27.65 /\n DATA MECH_SPC_CB6( 6), MECH_MWT_CB6( 6) / 'NR ', 16.00 /\n DATA MECH_SPC_CB6( 7), MECH_MWT_CB6( 7) / 'MEOH ', 32.04 /\n DATA MECH_SPC_CB6( 8), MECH_MWT_CB6( 8) / 'CH4 ', 16.04 /\n DATA MECH_SPC_CB6( 9), MECH_MWT_CB6( 9) / 'NH3 ', 17.03 /\n DATA MECH_SPC_CB6( 10), MECH_MWT_CB6( 10) / 'NO ', 46.00 /\n DATA MECH_SPC_CB6( 11), MECH_MWT_CB6( 11) / 'ALD2 ', 44.05 /\n DATA MECH_SPC_CB6( 12), MECH_MWT_CB6( 12) / 'ETOH ', 46.07 /\n DATA MECH_SPC_CB6( 13), MECH_MWT_CB6( 13) / 'FORM ', 30.03 /\n DATA MECH_SPC_CB6( 14), MECH_MWT_CB6( 14) / 'ALDX ', 43.65 /\n DATA MECH_SPC_CB6( 15), MECH_MWT_CB6( 15) / 'TOL ', 92.14 /\n DATA MECH_SPC_CB6( 16), MECH_MWT_CB6( 16) / 'IOLE ', 56.11 /\n DATA MECH_SPC_CB6( 17), MECH_MWT_CB6( 17) / 'CO ', 28.01 /\n DATA MECH_SPC_CB6( 18), MECH_MWT_CB6( 18) / 'ETHA ', 30.07 /\n DATA MECH_SPC_CB6( 19), MECH_MWT_CB6( 19) / 'ETH ', 28.05 /\n DATA MECH_SPC_CB6( 20), MECH_MWT_CB6( 20) / 'ETHY ', 26.04 /\n DATA MECH_SPC_CB6( 21), MECH_MWT_CB6( 21) / 'PRPA ', 44.10 /\n DATA MECH_SPC_CB6( 22), MECH_MWT_CB6( 22) / 'BENZ ', 78.11 /\n DATA MECH_SPC_CB6( 23), MECH_MWT_CB6( 23) / 'ACET ', 58.08 /\n DATA MECH_SPC_CB6( 24), MECH_MWT_CB6( 24) / 'KET ', 28.82 /\n DATA MECH_SPC_CB6( 25), MECH_MWT_CB6( 25) / 'AACD ', 60.05 /\n DATA MECH_SPC_CB6( 26), MECH_MWT_CB6( 26) / 'FACD ', 46.03 /\n DATA MECH_SPC_CB6( 27), MECH_MWT_CB6( 27) / 'HCN ', 27.03 /\n DATA MECH_SPC_CB6( 28), MECH_MWT_CB6( 28) / 'ISPD ', 70.09 /\n DATA MECH_SPC_CB6( 29), MECH_MWT_CB6( 29) / 'N2O ', 44.01 /\n DATA MECH_SPC_CB6( 30), MECH_MWT_CB6( 30) / 'SESQ ', 204.35 /\n DATA MECH_SPC_CB6( 31), MECH_MWT_CB6( 31) / 'TRS ', 34.08 /\n DATA MECH_SPC_CB6( 32), MECH_MWT_CB6( 32) / 'CH3BR ', 94.94 /\n DATA MECH_SPC_CB6( 33), MECH_MWT_CB6( 33) / 'CH3CL ', 50.49 /\n DATA MECH_SPC_CB6( 34), MECH_MWT_CB6( 34) / 'CH3I ', 141.94 /\n DATA MECH_SPC_CB6( 35), MECH_MWT_CB6( 35) / 'ALD2_PRIMARY ', 44.05 /\n DATA MECH_SPC_CB6( 36), MECH_MWT_CB6( 36) / 'FORM_PRIMARY ', 30.03 /\n" }, { "path": "CCTM/src/biog/megan3/SPC_CB6_AE7.EXT", "content": "C=======================================================================\nC SPC_CB6.EXT\nC This include file contains CB6 (CMAQ/CAMx) species and their MW.\nC\nC\nC Mechanism Name: CB6 (CMAQ/CAMx)\nC MEGAN v3\nC INPUT version x.x\nC\nC History:\nC Who When What\nC ---------------------------------------------------------------------\nC bkoo 04/13/07 - Created\nC Tan 07/18/11 - Updated for MEGANv2.10\nC Ling Huang 06/08/17 - updated for MEGANv3 with new species\nC=======================================================================\n\n CHARACTER*16 SPC_CB6AE7MECH\n PARAMETER (SPC_CB6AE7MECH = 'CB6_ae7 ')\n\n INTEGER N_CB6_ae7_SPC\n PARAMETER (N_CB6_ae7_SPC = 37)\n\n CHARACTER*16 MECH_SPC_CB6_AE7( N_CB6_ae7_SPC ) ! Mechanism species name\n REAL MECH_MWT_CB6_AE7( N_CB6_ae7_SPC ) ! Mechanism species molecular weight\n\n\n DATA MECH_SPC_CB6_AE7( 1), MECH_MWT_CB6_AE7( 1) / 'ISOP ', 68.12 /\n DATA MECH_SPC_CB6_AE7( 2), MECH_MWT_CB6_AE7( 2) / 'TERP ', 136.23 /\n DATA MECH_SPC_CB6_AE7( 3), MECH_MWT_CB6_AE7( 3) / 'PAR ', 14.43 /\n DATA MECH_SPC_CB6_AE7( 4), MECH_MWT_CB6_AE7( 4) / 'XYL ', 106.17 /\n DATA MECH_SPC_CB6_AE7( 5), MECH_MWT_CB6_AE7( 5) / 'OLE ', 27.65 /\n DATA MECH_SPC_CB6_AE7( 6), MECH_MWT_CB6_AE7( 6) / 'NR ', 16.00 /\n DATA MECH_SPC_CB6_AE7( 7), MECH_MWT_CB6_AE7( 7) / 'MEOH ', 32.04 /\n DATA MECH_SPC_CB6_AE7( 8), MECH_MWT_CB6_AE7( 8) / 'CH4 ', 16.04 /\n DATA MECH_SPC_CB6_AE7( 9), MECH_MWT_CB6_AE7( 9) / 'NH3 ', 17.03 /\n DATA MECH_SPC_CB6_AE7( 10), MECH_MWT_CB6_AE7( 10) / 'NO ', 46.00 /\n DATA MECH_SPC_CB6_AE7( 11), MECH_MWT_CB6_AE7( 11) / 'ALD2 ', 44.05 /\n DATA MECH_SPC_CB6_AE7( 12), MECH_MWT_CB6_AE7( 12) / 'ETOH ', 46.07 /\n DATA MECH_SPC_CB6_AE7( 13), MECH_MWT_CB6_AE7( 13) / 'FORM ', 30.03 /\n DATA MECH_SPC_CB6_AE7( 14), MECH_MWT_CB6_AE7( 14) / 'ALDX ', 43.65 /\n DATA MECH_SPC_CB6_AE7( 15), MECH_MWT_CB6_AE7( 15) / 'TOL ', 92.14 /\n DATA MECH_SPC_CB6_AE7( 16), MECH_MWT_CB6_AE7( 16) / 'IOLE ', 56.11 /\n DATA MECH_SPC_CB6_AE7( 17), MECH_MWT_CB6_AE7( 17) / 'CO ', 28.01 /\n DATA MECH_SPC_CB6_AE7( 18), MECH_MWT_CB6_AE7( 18) / 'ETHA ', 30.07 /\n DATA MECH_SPC_CB6_AE7( 19), MECH_MWT_CB6_AE7( 19) / 'ETH ', 28.05 /\n DATA MECH_SPC_CB6_AE7( 20), MECH_MWT_CB6_AE7( 20) / 'ETHY ', 26.04 /\n DATA MECH_SPC_CB6_AE7( 21), MECH_MWT_CB6_AE7( 21) / 'PRPA ', 44.10 /\n DATA MECH_SPC_CB6_AE7( 22), MECH_MWT_CB6_AE7( 22) / 'BENZ ', 78.11 /\n DATA MECH_SPC_CB6_AE7( 23), MECH_MWT_CB6_AE7( 23) / 'ACET ', 58.08 /\n DATA MECH_SPC_CB6_AE7( 24), MECH_MWT_CB6_AE7( 24) / 'KET ', 28.82 /\n DATA MECH_SPC_CB6_AE7( 25), MECH_MWT_CB6_AE7( 25) / 'AACD ', 60.05 /\n DATA MECH_SPC_CB6_AE7( 26), MECH_MWT_CB6_AE7( 26) / 'FACD ', 46.03 /\n DATA MECH_SPC_CB6_AE7( 27), MECH_MWT_CB6_AE7( 27) / 'HCN ', 27.03 /\n DATA MECH_SPC_CB6_AE7( 28), MECH_MWT_CB6_AE7( 28) / 'ISPD ', 70.09 /\n DATA MECH_SPC_CB6_AE7( 29), MECH_MWT_CB6_AE7( 29) / 'N2O ', 44.01 /\n DATA MECH_SPC_CB6_AE7( 30), MECH_MWT_CB6_AE7( 30) / 'SESQ ', 204.35 /\n DATA MECH_SPC_CB6_AE7( 31), MECH_MWT_CB6_AE7( 31) / 'TRS ', 34.08 /\n DATA MECH_SPC_CB6_AE7( 32), MECH_MWT_CB6_AE7( 32) / 'CH3BR ', 94.94 /\n DATA MECH_SPC_CB6_AE7( 33), MECH_MWT_CB6_AE7( 33) / 'CH3CL ', 50.49 /\n DATA MECH_SPC_CB6_AE7( 34), MECH_MWT_CB6_AE7( 34) / 'CH3I ', 141.94 /\n DATA MECH_SPC_CB6_AE7( 35), MECH_MWT_CB6_AE7( 35) / 'APIN ', 136.24 /\n DATA MECH_SPC_CB6_AE7( 36), MECH_MWT_CB6_AE7( 36) / 'ALD2_PRIMARY ', 44.05 /\n DATA MECH_SPC_CB6_AE7( 37), MECH_MWT_CB6_AE7( 37) / 'FORM_PRIMARY ', 30.03 /\n" }, { "path": "CCTM/src/biog/megan3/SPC_CRACMM1.EXT", "content": "C=======================================================================\nC SPC_CRACMM1.EXT\nC This include file contains CRACMM1 (CMAQ) species and their MW.\nC\nC Mechanism Name: CRACMM1 (CMAQ)\nC MEGAN v3\nC INPUT version x.x\nC\nC History:\nC Who When What\nC ---------------------------------------------------------------------\nC Jeff Willison 05/17/22 - Created for MEGAN 3.2 in CMAQ\nC=======================================================================\n\n CHARACTER*16 SPC_CRACMM1MECH\n PARAMETER (SPC_CRACMM1MECH = 'CRACMM1 ')\n\n INTEGER N_CRACMM1_SPC\n PARAMETER (N_CRACMM1_SPC = 46)\n\n CHARACTER*16 MECH_SPC_CRACMM1( N_CRACMM1_SPC ) ! Mechanism species name\n REAL MECH_MWT_CRACMM1( N_CRACMM1_SPC ) ! Mechanism species molecular weight\n\n DATA MECH_SPC_CRACMM1( 1), MECH_MWT_CRACMM1( 1) / 'ISO ', 68.10 /\n DATA MECH_SPC_CRACMM1( 2), MECH_MWT_CRACMM1( 2) / 'OLT ', 42.00 /\n DATA MECH_SPC_CRACMM1( 3), MECH_MWT_CRACMM1( 3) / 'API ', 136.40 /\n DATA MECH_SPC_CRACMM1( 4), MECH_MWT_CRACMM1( 4) / 'LIM ', 136.30 /\n DATA MECH_SPC_CRACMM1( 5), MECH_MWT_CRACMM1( 5) / 'HC3 ', 44.10 /\n DATA MECH_SPC_CRACMM1( 6), MECH_MWT_CRACMM1( 6) / 'FURAN ', 96.10 /\n DATA MECH_SPC_CRACMM1( 7), MECH_MWT_CRACMM1( 7) / 'XYE ', 106.20 / \n DATA MECH_SPC_CRACMM1( 8), MECH_MWT_CRACMM1( 8) / 'VROCP6ARO ', 176.30 /\n DATA MECH_SPC_CRACMM1( 9), MECH_MWT_CRACMM1( 9) / 'XYM ', 106.20 /\n DATA MECH_SPC_CRACMM1( 10), MECH_MWT_CRACMM1( 10) / 'VROCIOXY ', 247.00 / \n DATA MECH_SPC_CRACMM1( 11), MECH_MWT_CRACMM1( 11) / 'KET ', 86.00 /\n DATA MECH_SPC_CRACMM1( 12), MECH_MWT_CRACMM1( 12) / 'SESQ ', 204.40 /\n DATA MECH_SPC_CRACMM1( 13), MECH_MWT_CRACMM1( 13) / 'VROCP5ARO ', 190.33 / \n DATA MECH_SPC_CRACMM1( 14), MECH_MWT_CRACMM1( 14) / 'VROCP2ALK ', 338.66 / \n DATA MECH_SPC_CRACMM1( 15), MECH_MWT_CRACMM1( 15) / 'VROCP5ALK ', 198.39 / \n DATA MECH_SPC_CRACMM1( 16), MECH_MWT_CRACMM1( 16) / 'VROCP1ALK ', 380.75 / \n DATA MECH_SPC_CRACMM1( 17), MECH_MWT_CRACMM1( 17) / 'VROCP4ALK ', 254.50 / \n DATA MECH_SPC_CRACMM1( 18), MECH_MWT_CRACMM1( 18) / 'MOH ', 32.00 /\n DATA MECH_SPC_CRACMM1( 19), MECH_MWT_CRACMM1( 19) / 'ACT ', 58.00 /\n DATA MECH_SPC_CRACMM1( 20), MECH_MWT_CRACMM1( 20) / 'ACD ', 44.00 /\n DATA MECH_SPC_CRACMM1( 21), MECH_MWT_CRACMM1( 21) / 'EOH ', 46.10 /\n DATA MECH_SPC_CRACMM1( 22), MECH_MWT_CRACMM1( 22) / 'ORA2 ', 60.20 /\n DATA MECH_SPC_CRACMM1( 23), MECH_MWT_CRACMM1( 23) / 'ORA1 ', 46.00 /\n DATA MECH_SPC_CRACMM1( 24), MECH_MWT_CRACMM1( 24) / 'OLI ', 70.10 /\n DATA MECH_SPC_CRACMM1( 25), MECH_MWT_CRACMM1( 25) / 'ETH ', 30.10 /\n DATA MECH_SPC_CRACMM1( 26), MECH_MWT_CRACMM1( 26) / 'ETE ', 28.10 /\n DATA MECH_SPC_CRACMM1( 27), MECH_MWT_CRACMM1( 27) / 'ALD ', 58.00 /\n DATA MECH_SPC_CRACMM1( 28), MECH_MWT_CRACMM1( 28) / 'UALD ', 84.10 /\n DATA MECH_SPC_CRACMM1( 29), MECH_MWT_CRACMM1( 29) / 'HCHO ', 30.00 /\n DATA MECH_SPC_CRACMM1( 30), MECH_MWT_CRACMM1( 30) / 'MGLY ', 72.00 /\n DATA MECH_SPC_CRACMM1( 31), MECH_MWT_CRACMM1( 31) / 'ROH ', 60.00 /\n DATA MECH_SPC_CRACMM1( 32), MECH_MWT_CRACMM1( 32) / 'BALD ', 106.00 /\n DATA MECH_SPC_CRACMM1( 33), MECH_MWT_CRACMM1( 33) / 'BEN ', 78.11 /\n DATA MECH_SPC_CRACMM1( 34), MECH_MWT_CRACMM1( 34) / 'CSL ', 136.20 /\n DATA MECH_SPC_CRACMM1( 35), MECH_MWT_CRACMM1( 35) / 'HC10 ', 142.28 / \n DATA MECH_SPC_CRACMM1( 36), MECH_MWT_CRACMM1( 36) / 'SLOWROC ', 75.40 /\n DATA MECH_SPC_CRACMM1( 37), MECH_MWT_CRACMM1( 37) / 'MACR ', 70.00 /\n DATA MECH_SPC_CRACMM1( 38), MECH_MWT_CRACMM1( 38) / 'MVK ', 70.10 /\n DATA MECH_SPC_CRACMM1( 39), MECH_MWT_CRACMM1( 39) / 'PHEN ', 110.10 /\n DATA MECH_SPC_CRACMM1( 40), MECH_MWT_CRACMM1( 40) / 'TOL ', 92.14 / \n DATA MECH_SPC_CRACMM1( 41), MECH_MWT_CRACMM1( 41) / 'MEK ', 72.10 /\n DATA MECH_SPC_CRACMM1( 42), MECH_MWT_CRACMM1( 42) / 'HC5 ', 72.10 /\n DATA MECH_SPC_CRACMM1( 43), MECH_MWT_CRACMM1( 43) / 'NO ', 30.00 /\n DATA MECH_SPC_CRACMM1( 44), MECH_MWT_CRACMM1( 44) / 'ECH4 ', 16.04 /\n DATA MECH_SPC_CRACMM1( 45), MECH_MWT_CRACMM1( 45) / 'NAPH ', 128.17 /\n DATA MECH_SPC_CRACMM1( 46), MECH_MWT_CRACMM1( 46) / 'CO ', 28.01 /\n" }, { "path": "CCTM/src/biog/megan3/SPC_CRACMM2.EXT", "content": "C=======================================================================\nC SPC_CRACMM.EXT\nC This include file contains CRACMM (CMAQ) species and their MW.\nC\nC Mechanism Name: CRACMM (CMAQ)\nC MEGAN v3\nC INPUT version x.x\nC\nC History:\nC Who When What\nC ---------------------------------------------------------------------\nC Jeff Willison 05/17/22 - Created for MEGAN 3.2 in CMAQ\nC=======================================================================\n\n CHARACTER*16 SPC_CRACMM2MECH\n PARAMETER (SPC_CRACMM2MECH = 'CRACMM2 ')\n\n INTEGER N_CRACMM2_SPC\n PARAMETER (N_CRACMM2_SPC = 46)\n\n CHARACTER*16 MECH_SPC_CRACMM2( N_CRACMM2_SPC ) ! Mechanism species name\n REAL MECH_MWT_CRACMM2( N_CRACMM2_SPC ) ! Mechanism species molecular weight\n\n DATA MECH_SPC_CRACMM2( 1), MECH_MWT_CRACMM2( 1) / 'ISO ', 68.10 /\n DATA MECH_SPC_CRACMM2( 2), MECH_MWT_CRACMM2( 2) / 'OLT ', 42.00 /\n DATA MECH_SPC_CRACMM2( 3), MECH_MWT_CRACMM2( 3) / 'API ', 136.40 /\n DATA MECH_SPC_CRACMM2( 4), MECH_MWT_CRACMM2( 4) / 'LIM ', 136.30 /\n DATA MECH_SPC_CRACMM2( 5), MECH_MWT_CRACMM2( 5) / 'HC3 ', 44.10 /\n DATA MECH_SPC_CRACMM2( 6), MECH_MWT_CRACMM2( 6) / 'FURAN ', 96.10 /\n DATA MECH_SPC_CRACMM2( 7), MECH_MWT_CRACMM2( 7) / 'XYL ', 106.20 / \n DATA MECH_SPC_CRACMM2( 8), MECH_MWT_CRACMM2( 8) / 'VROCP6ARO ', 176.30 /\n DATA MECH_SPC_CRACMM2( 9), MECH_MWT_CRACMM2( 9) / 'NAPH ', 128.17 /\n DATA MECH_SPC_CRACMM2( 10), MECH_MWT_CRACMM2( 10) / 'VROCIOXY ', 247.00 / \n DATA MECH_SPC_CRACMM2( 11), MECH_MWT_CRACMM2( 11) / 'KET ', 86.00 /\n DATA MECH_SPC_CRACMM2( 12), MECH_MWT_CRACMM2( 12) / 'SESQ ', 204.40 /\n DATA MECH_SPC_CRACMM2( 13), MECH_MWT_CRACMM2( 13) / 'VROCP5ARO ', 190.33 / \n DATA MECH_SPC_CRACMM2( 14), MECH_MWT_CRACMM2( 14) / 'VROCP1OXY1 ', 270.50 /\n DATA MECH_SPC_CRACMM2( 15), MECH_MWT_CRACMM2( 15) / 'VROCP1OXY3 ', 202.30 /\n DATA MECH_SPC_CRACMM2( 16), MECH_MWT_CRACMM2( 16) / 'VROCP2OXY2 ', 200.30 / \n DATA MECH_SPC_CRACMM2( 17), MECH_MWT_CRACMM2( 17) / 'VROCP4ALK ', 254.50 / \n DATA MECH_SPC_CRACMM2( 18), MECH_MWT_CRACMM2( 18) / 'VROCP5OXY1 ', 170.30 /\n DATA MECH_SPC_CRACMM2( 19), MECH_MWT_CRACMM2( 19) / 'MOH ', 32.00 /\n DATA MECH_SPC_CRACMM2( 20), MECH_MWT_CRACMM2( 20) / 'ACT ', 58.00 /\n DATA MECH_SPC_CRACMM2( 21), MECH_MWT_CRACMM2( 21) / 'ACD ', 44.00 /\n DATA MECH_SPC_CRACMM2( 22), MECH_MWT_CRACMM2( 22) / 'EOH ', 46.10 /\n DATA MECH_SPC_CRACMM2( 23), MECH_MWT_CRACMM2( 23) / 'ORA2 ', 60.20 /\n DATA MECH_SPC_CRACMM2( 24), MECH_MWT_CRACMM2( 24) / 'ORA1 ', 46.00 /\n DATA MECH_SPC_CRACMM2( 25), MECH_MWT_CRACMM2( 25) / 'OLI ', 70.10 /\n DATA MECH_SPC_CRACMM2( 26), MECH_MWT_CRACMM2( 26) / 'ETH ', 30.10 /\n DATA MECH_SPC_CRACMM2( 27), MECH_MWT_CRACMM2( 27) / 'ETE ', 28.10 /\n DATA MECH_SPC_CRACMM2( 28), MECH_MWT_CRACMM2( 28) / 'ALD ', 58.00 /\n DATA MECH_SPC_CRACMM2( 29), MECH_MWT_CRACMM2( 29) / 'UALD ', 84.10 /\n DATA MECH_SPC_CRACMM2( 30), MECH_MWT_CRACMM2( 30) / 'HCHO ', 30.00 /\n DATA MECH_SPC_CRACMM2( 31), MECH_MWT_CRACMM2( 31) / 'MGLY ', 72.00 /\n DATA MECH_SPC_CRACMM2( 32), MECH_MWT_CRACMM2( 32) / 'ROH ', 60.00 /\n DATA MECH_SPC_CRACMM2( 33), MECH_MWT_CRACMM2( 33) / 'BALD ', 106.00 /\n DATA MECH_SPC_CRACMM2( 34), MECH_MWT_CRACMM2( 34) / 'BEN ', 78.11 /\n DATA MECH_SPC_CRACMM2( 35), MECH_MWT_CRACMM2( 35) / 'CSL ', 136.20 /\n DATA MECH_SPC_CRACMM2( 36), MECH_MWT_CRACMM2( 36) / 'HC10 ', 142.28 / \n DATA MECH_SPC_CRACMM2( 37), MECH_MWT_CRACMM2( 37) / 'SLOWROC ', 75.40 /\n DATA MECH_SPC_CRACMM2( 38), MECH_MWT_CRACMM2( 38) / 'MACR ', 70.00 /\n DATA MECH_SPC_CRACMM2( 39), MECH_MWT_CRACMM2( 39) / 'MVK ', 70.10 /\n DATA MECH_SPC_CRACMM2( 40), MECH_MWT_CRACMM2( 40) / 'PHEN ', 110.10 /\n DATA MECH_SPC_CRACMM2( 41), MECH_MWT_CRACMM2( 41) / 'TOL ', 92.14 / \n DATA MECH_SPC_CRACMM2( 42), MECH_MWT_CRACMM2( 42) / 'MEK ', 72.10 /\n DATA MECH_SPC_CRACMM2( 43), MECH_MWT_CRACMM2( 43) / 'HC5 ', 72.10 /\n DATA MECH_SPC_CRACMM2( 44), MECH_MWT_CRACMM2( 44) / 'NO ', 30.00 /\n DATA MECH_SPC_CRACMM2( 45), MECH_MWT_CRACMM2( 45) / 'ECH4 ', 16.04 /\n DATA MECH_SPC_CRACMM2( 46), MECH_MWT_CRACMM2( 46) / 'CO ', 28.01 /\n" }, { "path": "CCTM/src/biog/megan3/SPC_NOCONVER.EXT", "content": "!=======================================================================\n! MGN_SPC.EXT \n! MEGAN species class\n!\n! MEGAN v3\n! INPUT version 300\n!\n! History:\n! Who When What\n! ---------------------------------------------------------------------\n! Tan 12/02/06 - Creates this file\n! Tan 08/14/07 - Move from MEGAN v2.0 to MEGAN v2.02 with no update.\n! Ling Huang 03/17/17 - Updated this file for MEGAN3 based on Alex Guenther's \n! \"Descrption Class.xlsx\"\n! Ling Huang 04/17/21 - Updated this file for MEGAN3.2 based on Alex Guenther's\n! \"MEGAN3 Speciation32.xlsx\"\n! Reduce 20 categories to 19 categories (combine category 7\n! and category 8; move category 20 (NO) to category 8)\n!======================================================================\n\n INTEGER,PARAMETER :: N_MGN_SPC = 19\n CHARACTER*16 MGN_SPC(N_MGN_SPC)\n\n DATA MGN_SPC( 1) / 'ISOP '/ ! isoprene\n DATA MGN_SPC( 2) / 'MBO '/ ! MBO\n DATA MGN_SPC( 3) / 'MT_PINE '/ ! monoterpenes: pines (alpha and beta)\n DATA MGN_SPC( 4) / 'MT_ACYC '/ ! monoterpenes: acyclic, 3 = (e.g., myrcene, ocimenes)\n DATA MGN_SPC( 5) / 'MT_CAMP '/ ! monoterpenes: carene, camphene, others\n DATA MGN_SPC( 6) / 'MT_SABI '/ ! monoterpenes: sabinene, limonene, terpinenes, others\n DATA MGN_SPC( 7) / 'MT_AROM '/ ! C10 aromatic: cymenes, cymenenes & C8-C13 oxygenated (e.g. camphor)\n DATA MGN_SPC( 8) / 'NO '/ ! Nitric oxide\n DATA MGN_SPC( 9) / 'SQT_HR '/ ! Highly reactive SQT (e.g., caryophyllene)\n DATA MGN_SPC( 10) / 'SQT_LR '/ ! less reactive SQT (e.g., longifolene, copaene) and salates\n DATA MGN_SPC( 11) / 'MEOH '/ ! methanol\n DATA MGN_SPC( 12) / 'ACTO '/ ! acetone\n DATA MGN_SPC( 13) / 'ETOH '/ ! acetaldehyde and ethanol\n DATA MGN_SPC( 14) / 'ACID '/ ! organic acids: formic acid, acetic acid, pyruvic acid\n DATA MGN_SPC( 15) / 'LVOC '/ ! C2 to C4 HC (e.g., ethene, ethane)\n DATA MGN_SPC( 16) / 'OXPROD '/ ! oxidation products: aldehydes\n DATA MGN_SPC( 17) / 'STRESS '/ ! Stress compounds (e.g., linalool)\n DATA MGN_SPC( 18) / 'OTHER '/ ! other VOC (e.g., indole, pentane, methyl bromide)\n DATA MGN_SPC( 19) / 'CO '/ ! carbon monoxide\n\n!=======================================================================\n! SPCAT_SPC.EXT\n! MEGAN speciated species and their MW.\n!\n! MEGAN v3\n! INPUT version 3\n!\n! History:\n! Who When What\n! ---------------------------------------------------------------------\n! Tan 12/02/06 - Creates this file\n! Tan 08/14/07 - Move from MEGAN v2.0 to MEGAN v2.02 with no update.\n! Ling Huang 03/14/17 - Updated for MEGAN3 based on Alex Guenther's \n! \"Description Speciation.xlsx\"\n!=======================================================================\n\n INTEGER,PARAMETER :: N_SPCA_SPC = 201 ! Number of speciated species\n CHARACTER*20 SPCA_SPC( N_SPCA_SPC ) ! speciated species name\n REAL SPCA_MWT( N_SPCA_SPC ) ! Mechanism species molecular weight\n\n!CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC\n! _a = alpha, _b = beta, _c = cis, _al = allo,\n! _g = gamma, _d = delta, _t = trans, _m = methyl,\n! _p = para, _o = ortho, _e = ene, _ol = ol ,\n! met = methyl, 2met= dimethyl, MBO = methylbutenol ,\n! 2s = disulfide, s = sulfide, OXD = oxide, ACT = acetate,\n! PPPP= propenylpropyl , DCTT= decatetraene ,\n! COTHER= acetaldehyde , 3met = trimethyl\n!CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC\n\n! Isoprene\n DATA SPCA_SPC( 1), SPCA_MWT( 1) / 'isoprene', 68.12 /\n\n! MBO\n DATA SPCA_SPC( 2), SPCA_MWT( 2) / 'MBO_2m3e2ol', 84.12 /\n\n! MT_PINE\n DATA SPCA_SPC( 3), SPCA_MWT( 3) / 'pinene_a', 136.24 /\n DATA SPCA_SPC( 4), SPCA_MWT( 4) / 'pinene_b', 136.24 /\n\n! MT_ACYC\n DATA SPCA_SPC( 5), SPCA_MWT( 5) / 'myrcene', 136.24 /\n DATA SPCA_SPC( 6), SPCA_MWT( 6) / 'ocimene_al', 136.24 /\n DATA SPCA_SPC( 7), SPCA_MWT( 7) / 'ocimene_c_b', 136.24 /\n DATA SPCA_SPC( 8), SPCA_MWT( 8) / 'ocimene_t_b', 136.24 /\n\n! MT_CAMP\n DATA SPCA_SPC( 9), SPCA_MWT( 9) / 'bornene', 136.24 /\n DATA SPCA_SPC( 10), SPCA_MWT( 10) / 'camphene', 136.24 /\n DATA SPCA_SPC( 11), SPCA_MWT( 11) / 'carene_3', 136.24 /\n DATA SPCA_SPC( 12), SPCA_MWT( 12) / 'fenchene_a', 136.24 /\n DATA SPCA_SPC( 13), SPCA_MWT( 13) / 'fenchene_b', 136.24 /\n DATA SPCA_SPC( 14), SPCA_MWT( 14) / 'tricyclene', 136.24 /\n\n! MT_SABI\n DATA SPCA_SPC( 15), SPCA_MWT( 15) / 'limonene', 136.24 /\n DATA SPCA_SPC( 16), SPCA_MWT( 16) / 'phellandrene_b', 136.24 /\n DATA SPCA_SPC( 17), SPCA_MWT( 17) / 'phellandrene_a', 136.24 /\n DATA SPCA_SPC( 18), SPCA_MWT( 18) / 'sabinene', 136.24 /\n DATA SPCA_SPC( 19), SPCA_MWT( 19) / 'terpinene_a', 136.24 /\n DATA SPCA_SPC( 20), SPCA_MWT( 20) / 'terpinene_g', 136.24 /\n DATA SPCA_SPC( 21), SPCA_MWT( 21) / 'terpinolene', 136.24 /\n DATA SPCA_SPC( 22), SPCA_MWT( 22) / 'thujene_a', 136.24 /\n DATA SPCA_SPC( 23), SPCA_MWT( 23) / 'verbenene', 134.22 /\n\n! MT_AROM\n DATA SPCA_SPC( 24), SPCA_MWT( 24) / 'cymene_o', 134.22 /\n DATA SPCA_SPC( 25), SPCA_MWT( 25) / 'cymene_p', 134.22 /\n DATA SPCA_SPC( 26), SPCA_MWT( 26) / 'meta-cymenene', 132.21 /\n DATA SPCA_SPC( 27), SPCA_MWT( 27) / 'p-cymenene', 132.21 /\n\n! MT_OXY\n DATA SPCA_SPC( 28), SPCA_MWT( 28) / 'borneol', 154.25 /\n DATA SPCA_SPC( 29), SPCA_MWT( 29) / 'bornyl_ACT', 196.29 /\n DATA SPCA_SPC( 30), SPCA_MWT( 30) / 'camphor', 152.24 /\n DATA SPCA_SPC( 31), SPCA_MWT( 31) / 'estragole', 148.2 /\n DATA SPCA_SPC( 32), SPCA_MWT( 32) / 'fenchone', 152.24 /\n DATA SPCA_SPC( 33), SPCA_MWT( 33) / 'ionone_b', 192.3 /\n DATA SPCA_SPC( 34), SPCA_MWT( 34) / 'ipsenol', 154.25 /\n DATA SPCA_SPC( 35), SPCA_MWT( 35) / 'myrtenal', 150.22 /\n DATA SPCA_SPC( 36), SPCA_MWT( 36) / 'octanol', 128.21 /\n DATA SPCA_SPC( 37), SPCA_MWT( 37) / 'octenol_1e3ol', 128.21 /\n DATA SPCA_SPC( 38), SPCA_MWT( 38) / 'piperitone', 152.24 /\n DATA SPCA_SPC( 39), SPCA_MWT( 39) / 'terpineol_4', 154.25 /\n DATA SPCA_SPC( 40), SPCA_MWT( 40) / 'terpineol_a', 154.25 /\n DATA SPCA_SPC( 41), SPCA_MWT( 41) / 'thujone_a', 152.24 /\n DATA SPCA_SPC( 42), SPCA_MWT( 42) / 'thujone_b', 152.24 /\n\n! SQT_HR\n DATA SPCA_SPC( 43), SPCA_MWT( 43) / 'acoradiene', 204.36 /\n DATA SPCA_SPC( 44), SPCA_MWT( 44) / 'bergamotene_a', 204.36 /\n DATA SPCA_SPC( 45), SPCA_MWT( 45) / 'bergamotene_b', 204.36 /\n DATA SPCA_SPC( 46), SPCA_MWT( 46) / 'bisabolene_a', 204.36 /\n DATA SPCA_SPC( 47), SPCA_MWT( 47) / 'bisabolene_b', 204.36 /\n DATA SPCA_SPC( 48), SPCA_MWT( 48) / 'cadinene_d', 204.36 /\n DATA SPCA_SPC( 49), SPCA_MWT( 49) / 'cadinene_g', 204.36 /\n DATA SPCA_SPC( 50), SPCA_MWT( 50) / 'calarene', 204.36 /\n DATA SPCA_SPC( 51), SPCA_MWT( 51) / 'caryophyllene_b', 204.36 /\n DATA SPCA_SPC( 52), SPCA_MWT( 52) / 'caryophyllene_c_i', 204.36 /\n DATA SPCA_SPC( 53), SPCA_MWT( 53) / 'elemene_b', 204.36 /\n DATA SPCA_SPC( 54), SPCA_MWT( 54) / 'farnescene_a', 204.36 /\n DATA SPCA_SPC( 55), SPCA_MWT( 55) / 'farnescene_b', 204.36 /\n DATA SPCA_SPC( 56), SPCA_MWT( 56) / 'farnesol', 222.37 /\n DATA SPCA_SPC( 57), SPCA_MWT( 57) / 'germacrene_B', 204.36 /\n DATA SPCA_SPC( 58), SPCA_MWT( 58) / 'germacrene_D', 204.36 /\n DATA SPCA_SPC( 59), SPCA_MWT( 59) / 'humulene_a', 204.36 /\n DATA SPCA_SPC( 60), SPCA_MWT( 60) / 'humulene_g', 204.36 /\n DATA SPCA_SPC( 61), SPCA_MWT( 61) / 'muurolene_a', 204.36 /\n DATA SPCA_SPC( 62), SPCA_MWT( 62) / 'muurolene_g', 204.36 /\n DATA SPCA_SPC( 63), SPCA_MWT( 63) / 'nerolidol_c', 222.37 /\n DATA SPCA_SPC( 64), SPCA_MWT( 64) / 'nerolidol_t', 222.37 /\n DATA SPCA_SPC( 65), SPCA_MWT( 65) / 'patchoulene_b', 204.36 /\n DATA SPCA_SPC( 66), SPCA_MWT( 66) / 'selinene_b', 204.36 /\n DATA SPCA_SPC( 67), SPCA_MWT( 67) / 'selinene_d', 204.36 /\n\n! SQT_LR\n DATA SPCA_SPC( 68), SPCA_MWT( 68) / '2ethyl_hexyl_salate', 250.34 /\n DATA SPCA_SPC( 69), SPCA_MWT( 69) / 'aromadendrene', 204.36 /\n DATA SPCA_SPC( 70), SPCA_MWT( 70) / 'bourbonene_b', 204.36 /\n DATA SPCA_SPC( 71), SPCA_MWT( 71) / 'cadinol_a', 222.37 /\n DATA SPCA_SPC( 72), SPCA_MWT( 72) / 'cedrene_a', 204.36 /\n DATA SPCA_SPC( 73), SPCA_MWT( 73) / 'cedrol', 222.37 /\n DATA SPCA_SPC( 74), SPCA_MWT( 74) / 'copaene_a', 204.36 /\n DATA SPCA_SPC( 75), SPCA_MWT( 75) / 'cubebene_a', 204.36 /\n DATA SPCA_SPC( 76), SPCA_MWT( 76) / 'cubebene_b', 204.36 /\n DATA SPCA_SPC( 77), SPCA_MWT( 77) / 'gurjunene_b', 204.36 /\n DATA SPCA_SPC( 78), SPCA_MWT( 78) / 'homosalate', 262.35 /\n DATA SPCA_SPC( 79), SPCA_MWT( 79) / 'isolongifolene', 204.36 /\n DATA SPCA_SPC( 80), SPCA_MWT( 80) / 'kaur_16_ene', 272.47 /\n DATA SPCA_SPC( 81), SPCA_MWT( 81) / 'longifolene', 204.36 /\n DATA SPCA_SPC( 82), SPCA_MWT( 82) / 'longipinene', 204.36 /\n DATA SPCA_SPC( 83), SPCA_MWT( 83) / 'thujopsene', 204.36 /\n DATA SPCA_SPC( 84), SPCA_MWT( 84) / 'ylangene_a', 204.36 /\n DATA SPCA_SPC( 85), SPCA_MWT( 85) / 'zingiberene_a', 204.36 /\n DATA SPCA_SPC( 86), SPCA_MWT( 86) / 'copaene_b', 204.36 /\n DATA SPCA_SPC( 87), SPCA_MWT( 87) / 'longicyclene', 204.36 /\n\n! METOH\n DATA SPCA_SPC( 88), SPCA_MWT( 88) / 'methanol', 32.04 /\n\n! ACTO\n DATA SPCA_SPC( 89), SPCA_MWT( 89) / 'acetone', 58.08 /\n\n! ETOH\n DATA SPCA_SPC( 90), SPCA_MWT( 90) / 'acetaldehyde', 44.05 /\n DATA SPCA_SPC( 91), SPCA_MWT( 91) / 'ethanol', 46.07 /\n\n! ACID\n DATA SPCA_SPC( 92), SPCA_MWT( 92) / 'acetic_acid', 60.05 /\n DATA SPCA_SPC( 93), SPCA_MWT( 93) / 'formic_acid', 46.03 /\n DATA SPCA_SPC( 94), SPCA_MWT( 94) / 'pyruvic_acid', 88.06 /\n\n! LVOC\n DATA SPCA_SPC( 95), SPCA_MWT( 95) / '2_methylprop_1_ene', 56.11 /\n DATA SPCA_SPC( 96), SPCA_MWT( 96) / 'butane', 58.12 /\n DATA SPCA_SPC( 97), SPCA_MWT( 97) / 'butene', 56.11 /\n DATA SPCA_SPC( 98), SPCA_MWT( 98) / 'butene_c2', 56.11 /\n DATA SPCA_SPC( 99), SPCA_MWT( 99) / 'butene_t2', 56.11 /\n DATA SPCA_SPC( 100), SPCA_MWT( 100) / 'ethane', 30.07 /\n DATA SPCA_SPC( 101), SPCA_MWT( 101) / 'ethene', 28.05 /\n DATA SPCA_SPC( 102), SPCA_MWT( 102) / 'propane', 44.1 /\n DATA SPCA_SPC( 103), SPCA_MWT( 103) / 'propene', 42.08 /\n\n! OXPROD\n DATA SPCA_SPC( 104), SPCA_MWT( 104) / 'decanal', 156.27 /\n DATA SPCA_SPC( 105), SPCA_MWT( 105) / 'geranyl_acetone', 194.32 /\n DATA SPCA_SPC( 106), SPCA_MWT( 106) / 'met_heptenone', 126.2 /\n DATA SPCA_SPC( 107), SPCA_MWT( 107) / 'neryl_acetone', 194.32 /\n DATA SPCA_SPC( 108), SPCA_MWT( 108) / 'nonanal', 142.24 /\n DATA SPCA_SPC( 109), SPCA_MWT( 109) / 'nonenal', 140.23 /\n DATA SPCA_SPC( 110), SPCA_MWT( 110) / 'octanal', 128.21 /\n DATA SPCA_SPC( 111), SPCA_MWT( 111) / 'pentanal', 86.13 /\n DATA SPCA_SPC( 112), SPCA_MWT( 112) / 't-2-octenal', 126.2 /\n DATA SPCA_SPC( 113), SPCA_MWT( 113) / 'formaldehyde', 30.03 /\n DATA SPCA_SPC( 114), SPCA_MWT( 114) / 'oxopentanal', 100.12 /\n\n! STRESS\n DATA SPCA_SPC( 115), SPCA_MWT( 115) / '1_pentanol', 88.15 /\n DATA SPCA_SPC( 116), SPCA_MWT( 116) / '1_penten_3_one', 84.12 /\n DATA SPCA_SPC( 117), SPCA_MWT( 117) / '2_met_butanenitrile', 83.13 /\n DATA SPCA_SPC( 118), SPCA_MWT( 118) / '2_pentene', 70.13 /\n DATA SPCA_SPC( 119), SPCA_MWT( 119) / '3_metfuran', 82.1 /\n DATA SPCA_SPC( 120), SPCA_MWT( 120) / '3_metthiophene', 98.17 /\n DATA SPCA_SPC( 121), SPCA_MWT( 121) / '3_pentanone', 86.13 /\n DATA SPCA_SPC( 122), SPCA_MWT( 122) / '3_penten_2_ol', 86.13 /\n DATA SPCA_SPC( 123), SPCA_MWT( 123) / '4_penten_1_ol', 86.13 /\n DATA SPCA_SPC( 124), SPCA_MWT( 124) / '8_heptadecene', 238.46 /\n DATA SPCA_SPC( 125), SPCA_MWT( 125) / 'acetophenone', 120.15 /\n DATA SPCA_SPC( 126), SPCA_MWT( 126) / 'anisole', 108.14 /\n DATA SPCA_SPC( 127), SPCA_MWT( 127) / 'benzaldehyde', 106.12 /\n DATA SPCA_SPC( 128), SPCA_MWT( 128) / 'benzene', 78.11 /\n DATA SPCA_SPC( 129), SPCA_MWT( 129) / 'benzyl_benzoate', 212.25 /\n DATA SPCA_SPC( 130), SPCA_MWT( 130) / 'benzyl_acetate', 150.18 /\n DATA SPCA_SPC( 131), SPCA_MWT( 131) / 'benzyl_alcohol', 108.14 /\n DATA SPCA_SPC( 132), SPCA_MWT( 132) / 'chavicol', 134.18 /\n DATA SPCA_SPC( 133), SPCA_MWT( 133) / 'cineole_1_8', 154.25 /\n DATA SPCA_SPC( 134), SPCA_MWT( 134) / 'cinnamaldehyde', 132.16 /\n DATA SPCA_SPC( 135), SPCA_MWT( 135) / 'cinnamic_acid', 148.16 /\n DATA SPCA_SPC( 136), SPCA_MWT( 136) / 'coniferyl_alcohol', 180.2 /\n DATA SPCA_SPC( 137), SPCA_MWT( 137) / '2met_nonatriene', 150.26 /\n DATA SPCA_SPC( 138), SPCA_MWT( 138) / 'ethyl_cinnamate', 176.22 /\n DATA SPCA_SPC( 139), SPCA_MWT( 139) / 'eugenol', 164.2 /\n DATA SPCA_SPC( 140), SPCA_MWT( 140) / 'guaiacol', 124.14 /\n DATA SPCA_SPC( 141), SPCA_MWT( 141) / 'hexanal', 100.16 /\n DATA SPCA_SPC( 142), SPCA_MWT( 142) / 'hexanol_1', 102.18 /\n DATA SPCA_SPC( 143), SPCA_MWT( 143) / 'hexenal_c3', 98.14 /\n DATA SPCA_SPC( 144), SPCA_MWT( 144) / 'hexenal_t2', 98.14 /\n DATA SPCA_SPC( 145), SPCA_MWT( 145) / 'hexenol_c3', 100.16 /\n DATA SPCA_SPC( 146), SPCA_MWT( 146) / 'hexenyl_ACT_c3', 142.2 /\n DATA SPCA_SPC( 147), SPCA_MWT( 147) / 'hydrogen_cyanide', 27.03 /\n DATA SPCA_SPC( 148), SPCA_MWT( 148) / 'isobutyronitrile', 69.11 /\n DATA SPCA_SPC( 149), SPCA_MWT( 149) / 'jasmone', 164.25 /\n DATA SPCA_SPC( 150), SPCA_MWT( 150) / 'linalool', 154.25 /\n DATA SPCA_SPC( 151), SPCA_MWT( 151) / 'linalool_OXD_c', 170.25 /\n DATA SPCA_SPC( 152), SPCA_MWT( 152) / 'linalool_OXD_t', 170.25 /\n DATA SPCA_SPC( 153), SPCA_MWT( 153) / 'methacrolein', 70.09 /\n DATA SPCA_SPC( 154), SPCA_MWT( 154) / 'met_benzoate', 136.15 /\n DATA SPCA_SPC( 155), SPCA_MWT( 155) / 'met_jasmonate', 224.3 /\n DATA SPCA_SPC( 156), SPCA_MWT( 156) / 'met_salicylate', 152.15 /\n DATA SPCA_SPC( 157), SPCA_MWT( 157) / 'met_acetate', 74.08 /\n DATA SPCA_SPC( 158), SPCA_MWT( 158) / 'met_vinylketone', 70.09 /\n DATA SPCA_SPC( 159), SPCA_MWT( 159) / 'p_coumaric_acid', 164.16 /\n DATA SPCA_SPC( 160), SPCA_MWT( 160) / 'phenol', 94.11 /\n DATA SPCA_SPC( 161), SPCA_MWT( 161) / 'phenylacetaldehyde', 120.15 /\n DATA SPCA_SPC( 162), SPCA_MWT( 162) / 'safrole', 162.19 /\n DATA SPCA_SPC( 163), SPCA_MWT( 163) / 'salicylaldehyde', 122.12 /\n DATA SPCA_SPC( 164), SPCA_MWT( 164) / 'toluene', 92.14 /\n DATA SPCA_SPC( 165), SPCA_MWT( 165) / '3met_3DCTT', 218.38 /\n DATA SPCA_SPC( 166), SPCA_MWT( 166) / 'xylene', 106.17 /\n DATA SPCA_SPC( 167), SPCA_MWT( 167) / 'z2_penten_1ol', 86.13 /\n DATA SPCA_SPC( 168), SPCA_MWT( 168) / 'z2_penten_3ol', 86.13 /\n DATA SPCA_SPC( 169), SPCA_MWT( 169) / 'z3_hexen_1yl_butyrate', 170.25 /\n\n! OTHER\n DATA SPCA_SPC( 170), SPCA_MWT( 170) / 'butanone_2', 72.11 /\n DATA SPCA_SPC( 171), SPCA_MWT( 171) / 'carbon_2s', 76.14 /\n DATA SPCA_SPC( 172), SPCA_MWT( 172) / 'carbonyl_s', 60.08 /\n DATA SPCA_SPC( 173), SPCA_MWT( 173) / 'decane', 142.28 /\n DATA SPCA_SPC( 174), SPCA_MWT( 174) / 'diallyl_2s', 146.28 /\n DATA SPCA_SPC( 175), SPCA_MWT( 175) / '2met_2s', 94.2 /\n DATA SPCA_SPC( 176), SPCA_MWT( 176) / '2met_s', 62.14 /\n DATA SPCA_SPC( 177), SPCA_MWT( 177) / 'dodecene_1', 168.32 /\n DATA SPCA_SPC( 178), SPCA_MWT( 178) / 'heptanal', 114.19 /\n DATA SPCA_SPC( 179), SPCA_MWT( 179) / 'heptane', 100.2 /\n DATA SPCA_SPC( 180), SPCA_MWT( 180) / 'heptanone', 114.19 /\n DATA SPCA_SPC( 181), SPCA_MWT( 181) / 'hexane', 86.18 /\n DATA SPCA_SPC( 182), SPCA_MWT( 182) / 'hydrogen_s', 34.08 /\n DATA SPCA_SPC( 183), SPCA_MWT( 183) / 'indole', 117.15 /\n DATA SPCA_SPC( 184), SPCA_MWT( 184) / 'methane', 16.04 /\n DATA SPCA_SPC( 185), SPCA_MWT( 185) / 'met_bromide', 94.94 /\n DATA SPCA_SPC( 186), SPCA_MWT( 186) / 'met_chloride', 50.49 /\n DATA SPCA_SPC( 187), SPCA_MWT( 187) / 'met_iodide', 141.94 /\n DATA SPCA_SPC( 188), SPCA_MWT( 188) / 'met_mercaptan', 48.11 /\n DATA SPCA_SPC( 189), SPCA_MWT( 189) / 'met_propenyl_2s', 120.24 /\n DATA SPCA_SPC( 190), SPCA_MWT( 190) / 'MBO_3m2e1ol', 86.13 /\n DATA SPCA_SPC( 191), SPCA_MWT( 191) / 'MBO_3m3e1ol', 86.13 /\n DATA SPCA_SPC( 192), SPCA_MWT( 192) / 'naphthalene', 128.17 /\n DATA SPCA_SPC( 193), SPCA_MWT( 193) / 'pentane', 72.15 /\n DATA SPCA_SPC( 194), SPCA_MWT( 194) / 'PPPP_2s', 148.29 /\n DATA SPCA_SPC( 195), SPCA_MWT( 195) / 'santene', 122.21 /\n DATA SPCA_SPC( 196), SPCA_MWT( 196) / 'skatole', 131.18 /\n DATA SPCA_SPC( 197), SPCA_MWT( 197) / 'terpinyl_ACT_a', 196.29 /\n DATA SPCA_SPC( 198), SPCA_MWT( 198) / 'tetradecene_1', 196.38 /\n DATA SPCA_SPC( 199), SPCA_MWT( 199) / 'undecane', 156.31 /\n\n! CO \n DATA SPCA_SPC( 200), SPCA_MWT( 200) / 'carbon_monoxide', 28.01 /\n\n! NO\n DATA SPCA_SPC( 201), SPCA_MWT( 201) / 'nitric_OXD', 30.01 /\n\n!=======================================================================\n! MAP_MGN20T201.EXT\n! This include file contains conversion table for MEGAN species to\n! 201 species\n!\n! MEGAN v3\n! INPUT version 3\n!\n! History:\n! Who When What\n! ---------------------------------------------------------------------\n! Tan 12/02/06 - Creates this file\n! Tan 08/14/07 - Move from MEGAN v2.0 to MEGAN v2.02 with no update.\n! Ling Huang 03/14/17 - Updated for MEGAN3 based on Alex Guenther's\n! \"Description Speciation.xlsx\"\n!=======================================================================\n\n INTEGER,PARAMETER :: N_SMAP_SPC = 201 ! Number of map species\n\n CHARACTER*16 SPCA_NAM( N_SMAP_SPC ) ! speciated species name\n INTEGER SPCA_MAP( N_SMAP_SPC ) ! speciated species name\n ! mapped to SPCAT_SPC.EXT\n CHARACTER*16 MG20_NAM( N_SMAP_SPC ) ! MEGAN species\n INTEGER MG20_MAP( N_SMAP_SPC ) ! MEGAN species mapped to\n ! MGN_SPC.EXT\n REAL EFFS_ALL( N_SMAP_SPC ) ! speciated species fraction\n ! to MEGAN species\n\n!CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC\n! _a = alpha, _b = beta, _c = cis, _al = allo,\n! _g = gamma, _d = delta, _t = trans, _m = methyl,\n! _p = para, _o = ortho, _e = ene, _ol = ol ,\n! met = methyl, 2met= dimethyl, MBO = methylbutenol ,\n! 2s = disulfide, s = sulfide, OXD = oxide, ACT = acetate,\n! PPPP= propenylpropyl , DCTT= decatetraene ,\n! COTHER= acetaldehyde , 3met = trimethhyl\n!CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC\n\n DATA SPCA_NAM( 1), SPCA_MAP( 1), MG20_NAM( 1), MG20_MAP( 1), EFFS_ALL( 1)\n & /'isoprene', 1 ,'ISOP', 1, 1 /\n DATA SPCA_NAM( 2), SPCA_MAP( 2), MG20_NAM( 2), MG20_MAP( 2), EFFS_ALL( 2)\n & /'MBO_2m3e2ol', 2 ,'MBO', 2, 1 /\n DATA SPCA_NAM( 3), SPCA_MAP( 3), MG20_NAM( 3), MG20_MAP( 3), EFFS_ALL( 3)\n & /'pinene_a', 3 ,'MT_PINE', 3, 1 /\n DATA SPCA_NAM( 4), SPCA_MAP( 4), MG20_NAM( 4), MG20_MAP( 4), EFFS_ALL( 4)\n & /'myrcene', 5 ,'MT_ACYC', 4, 0.5 /\n DATA SPCA_NAM( 5), SPCA_MAP( 5), MG20_NAM( 5), MG20_MAP( 5), EFFS_ALL( 5)\n & /'ocimene_al', 6 ,'MT_ACYC', 4, 0.01 /\n DATA SPCA_NAM( 6), SPCA_MAP( 6), MG20_NAM( 6), MG20_MAP( 6), EFFS_ALL( 6)\n & /'ocimene_c_b', 7 ,'MT_ACYC', 4, 0.09 /\n DATA SPCA_NAM( 7), SPCA_MAP( 7), MG20_NAM( 7), MG20_MAP( 7), EFFS_ALL( 7)\n & /'ocimene_t_b', 8 ,'MT_ACYC', 4, 0.4 /\n DATA SPCA_NAM( 8), SPCA_MAP( 8), MG20_NAM( 8), MG20_MAP( 8), EFFS_ALL( 8)\n & /'pinene_b', 4 ,'MT_CAMP', 5, 0.33 /\n DATA SPCA_NAM( 9), SPCA_MAP( 9), MG20_NAM( 9), MG20_MAP( 9), EFFS_ALL( 9)\n & /'camphene', 10 ,'MT_CAMP', 5, 0.18 /\n DATA SPCA_NAM( 10), SPCA_MAP( 10), MG20_NAM( 10), MG20_MAP( 10), EFFS_ALL( 10)\n & /'bornene', 9 ,'MT_CAMP', 5, 0.005 /\n DATA SPCA_NAM( 11), SPCA_MAP( 11), MG20_NAM( 11), MG20_MAP( 11), EFFS_ALL( 11)\n & /'fenchene_a', 12 ,'MT_CAMP', 5, 0.005 /\n DATA SPCA_NAM( 12), SPCA_MAP( 12), MG20_NAM( 12), MG20_MAP( 12), EFFS_ALL( 12)\n & /'carene_3', 11 ,'MT_CAMP', 5, 0.2 /\n DATA SPCA_NAM( 13), SPCA_MAP( 13), MG20_NAM( 13), MG20_MAP( 13), EFFS_ALL( 13)\n & /'fenchene_b', 13 ,'MT_CAMP', 5, 0.005 /\n DATA SPCA_NAM( 14), SPCA_MAP( 14), MG20_NAM( 14), MG20_MAP( 14), EFFS_ALL( 14)\n & /'tricyclene', 14 ,'MT_CAMP', 5, 0.02 /\n DATA SPCA_NAM( 15), SPCA_MAP( 15), MG20_NAM( 15), MG20_MAP( 15), EFFS_ALL( 15)\n & /'thujene_a', 22 ,'MT_CAMP', 5, 0.04 /\n DATA SPCA_NAM( 16), SPCA_MAP( 16), MG20_NAM( 16), MG20_MAP( 16), EFFS_ALL( 16)\n & /'sabinene', 18 ,'MT_CAMP', 5, 0.14 /\n DATA SPCA_NAM( 17), SPCA_MAP( 17), MG20_NAM( 17), MG20_MAP( 17), EFFS_ALL( 17)\n & /'terpineol_a', 40 ,'MT_CAMP', 5, 0.05 /\n DATA SPCA_NAM( 18), SPCA_MAP( 18), MG20_NAM( 18), MG20_MAP( 18), EFFS_ALL( 18)\n & /'terpineol_4', 39 ,'MT_CAMP', 5, 0.02 /\n DATA SPCA_NAM( 19), SPCA_MAP( 19), MG20_NAM( 19), MG20_MAP( 19), EFFS_ALL( 19)\n & /'terpinyl_ACT_a', 197 ,'MT_CAMP', 5, 0.005 /\n DATA SPCA_NAM( 20), SPCA_MAP( 20), MG20_NAM( 20), MG20_MAP( 20), EFFS_ALL( 20)\n & /'phellandrene_a', 17 ,'MT_SABI', 6, 0.06 /\n DATA SPCA_NAM( 21), SPCA_MAP( 21), MG20_NAM( 21), MG20_MAP( 21), EFFS_ALL( 21)\n & /'terpinene_g', 20 ,'MT_SABI', 6, 0.09 /\n DATA SPCA_NAM( 22), SPCA_MAP( 22), MG20_NAM( 22), MG20_MAP( 22), EFFS_ALL( 22)\n & /'terpinene_a', 19 ,'MT_SABI', 6, 0.07 /\n DATA SPCA_NAM( 23), SPCA_MAP( 23), MG20_NAM( 23), MG20_MAP( 23), EFFS_ALL( 23)\n & /'limonene', 15 ,'MT_SABI', 6, 0.6 /\n DATA SPCA_NAM( 24), SPCA_MAP( 24), MG20_NAM( 24), MG20_MAP( 24), EFFS_ALL( 24)\n & /'phellandrene_b', 16 ,'MT_SABI', 6, 0.1 /\n DATA SPCA_NAM( 25), SPCA_MAP( 25), MG20_NAM( 25), MG20_MAP( 25), EFFS_ALL( 25)\n & /'terpinolene', 21 ,'MT_SABI', 6, 0.075 /\n DATA SPCA_NAM( 26), SPCA_MAP( 26), MG20_NAM( 26), MG20_MAP( 26), EFFS_ALL( 26)\n & /'verbenene', 23 ,'MT_SABI', 6, 0.005 /\n DATA SPCA_NAM( 27), SPCA_MAP( 27), MG20_NAM( 27), MG20_MAP( 27), EFFS_ALL( 27)\n & /'cymene_p', 25 ,'MT_AROM', 7, 0.2 /\n DATA SPCA_NAM( 28), SPCA_MAP( 28), MG20_NAM( 28), MG20_MAP( 28), EFFS_ALL( 28)\n & /'cymene_o', 24 ,'MT_AROM', 7, 0.07 /\n DATA SPCA_NAM( 29), SPCA_MAP( 29), MG20_NAM( 29), MG20_MAP( 29), EFFS_ALL( 29)\n & /'meta-cymenene', 26 ,'MT_AROM', 7, 0.02 /\n DATA SPCA_NAM( 30), SPCA_MAP( 30), MG20_NAM( 30), MG20_MAP( 30), EFFS_ALL( 30)\n & /'p-cymenene', 27 ,'MT_AROM', 7, 0.05 /\n DATA SPCA_NAM( 31), SPCA_MAP( 31), MG20_NAM( 31), MG20_MAP( 31), EFFS_ALL( 31)\n & /'camphor', 30 ,'MT_AROM', 7, 0.08 /\n DATA SPCA_NAM( 32), SPCA_MAP( 32), MG20_NAM( 32), MG20_MAP( 32), EFFS_ALL( 32)\n & /'bornyl_ACT', 29 ,'MT_AROM', 7, 0.02 /\n DATA SPCA_NAM( 33), SPCA_MAP( 33), MG20_NAM( 33), MG20_MAP( 33), EFFS_ALL( 33)\n & /'piperitone', 38 ,'MT_AROM', 7, 0.01 /\n DATA SPCA_NAM( 34), SPCA_MAP( 34), MG20_NAM( 34), MG20_MAP( 34), EFFS_ALL( 34)\n & /'estragole', 31 ,'MT_AROM', 7, 0.02 /\n DATA SPCA_NAM( 35), SPCA_MAP( 35), MG20_NAM( 35), MG20_MAP( 35), EFFS_ALL( 35)\n & /'borneol', 28 ,'MT_AROM', 7, 0.05 /\n DATA SPCA_NAM( 36), SPCA_MAP( 36), MG20_NAM( 36), MG20_MAP( 36), EFFS_ALL( 36)\n & /'thujone_b', 42 ,'MT_AROM', 7, 0.02 /\n DATA SPCA_NAM( 37), SPCA_MAP( 37), MG20_NAM( 37), MG20_MAP( 37), EFFS_ALL( 37)\n & /'thujone_a', 41 ,'MT_AROM', 7, 0.03 /\n DATA SPCA_NAM( 38), SPCA_MAP( 38), MG20_NAM( 38), MG20_MAP( 38), EFFS_ALL( 38)\n & /'linalool', 150 ,'MT_AROM', 7, 0.2 /\n DATA SPCA_NAM( 39), SPCA_MAP( 39), MG20_NAM( 39), MG20_MAP( 39), EFFS_ALL( 39)\n & /'santene', 195 ,'MT_AROM', 7, 0.005 /\n DATA SPCA_NAM( 40), SPCA_MAP( 40), MG20_NAM( 40), MG20_MAP( 40), EFFS_ALL( 40)\n & /'coniferyl_alcohol', 136 ,'MT_AROM', 7, 0.005 /\n DATA SPCA_NAM( 41), SPCA_MAP( 41), MG20_NAM( 41), MG20_MAP( 41), EFFS_ALL( 41)\n & /'cineole_1_8', 133 ,'MT_AROM', 7, 0.2 /\n DATA SPCA_NAM( 42), SPCA_MAP( 42), MG20_NAM( 42), MG20_MAP( 42), EFFS_ALL( 42)\n & /'myrtenal', 35 ,'MT_AROM', 7, 0.005 /\n DATA SPCA_NAM( 43), SPCA_MAP( 43), MG20_NAM( 43), MG20_MAP( 43), EFFS_ALL( 43)\n & /'fenchone', 32 ,'MT_AROM', 7, 0.005 /\n DATA SPCA_NAM( 44), SPCA_MAP( 44), MG20_NAM( 44), MG20_MAP( 44), EFFS_ALL( 44)\n & /'ionone_b', 33 ,'MT_AROM', 7, 0.005 /\n DATA SPCA_NAM( 45), SPCA_MAP( 45), MG20_NAM( 45), MG20_MAP( 45), EFFS_ALL( 45)\n & /'ipsenol', 34 ,'MT_AROM', 7, 0.005 /\n DATA SPCA_NAM( 46), SPCA_MAP( 46), MG20_NAM( 46), MG20_MAP( 46), EFFS_ALL( 46)\n & /'carbon_monoxide', 200 ,'CO', 19, 1 /\n DATA SPCA_NAM( 47), SPCA_MAP( 47), MG20_NAM( 47), MG20_MAP( 47), EFFS_ALL( 47)\n & /'caryophyllene_b', 51 ,'SQT_HR', 9, 0.5 /\n DATA SPCA_NAM( 48), SPCA_MAP( 48), MG20_NAM( 48), MG20_MAP( 48), EFFS_ALL( 48)\n & /'caryophyllene_c_i', 52 ,'SQT_HR', 9, 0.005 /\n DATA SPCA_NAM( 49), SPCA_MAP( 49), MG20_NAM( 49), MG20_MAP( 49), EFFS_ALL( 49)\n & /'cadinene_d', 48 ,'SQT_HR', 9, 0.005 /\n DATA SPCA_NAM( 50), SPCA_MAP( 50), MG20_NAM( 50), MG20_MAP( 50), EFFS_ALL( 50)\n & /'cadinene_d', 48 ,'SQT_HR', 9, 0.005 /\n DATA SPCA_NAM( 51), SPCA_MAP( 51), MG20_NAM( 51), MG20_MAP( 51), EFFS_ALL( 51)\n & /'bisabolene_b', 47 ,'SQT_HR', 9, 0.02 /\n DATA SPCA_NAM( 52), SPCA_MAP( 52), MG20_NAM( 52), MG20_MAP( 52), EFFS_ALL( 52)\n & /'farnescene_a', 54 ,'SQT_HR', 9, 0.05 /\n DATA SPCA_NAM( 53), SPCA_MAP( 53), MG20_NAM( 53), MG20_MAP( 53), EFFS_ALL( 53)\n & /'patchoulene_b', 65 ,'SQT_HR', 9, 0.005 /\n DATA SPCA_NAM( 54), SPCA_MAP( 54), MG20_NAM( 54), MG20_MAP( 54), EFFS_ALL( 54)\n & /'elemene_b', 53 ,'SQT_HR', 9, 0.01 /\n DATA SPCA_NAM( 55), SPCA_MAP( 55), MG20_NAM( 55), MG20_MAP( 55), EFFS_ALL( 55)\n & /'nerolidol_c', 63 ,'SQT_HR', 9, 0.005 /\n DATA SPCA_NAM( 56), SPCA_MAP( 56), MG20_NAM( 56), MG20_MAP( 56), EFFS_ALL( 56)\n & /'farnesol', 56 ,'SQT_HR', 9, 0.005 /\n DATA SPCA_NAM( 57), SPCA_MAP( 57), MG20_NAM( 57), MG20_MAP( 57), EFFS_ALL( 57)\n & /'humulene_a', 59 ,'SQT_HR', 9, 0.1 /\n DATA SPCA_NAM( 58), SPCA_MAP( 58), MG20_NAM( 58), MG20_MAP( 58), EFFS_ALL( 58)\n & /'muurolene_a', 61 ,'SQT_HR', 9, 0.005 /\n DATA SPCA_NAM( 59), SPCA_MAP( 59), MG20_NAM( 59), MG20_MAP( 59), EFFS_ALL( 59)\n & /'bergamotene_a', 44 ,'SQT_HR', 9, 0.04 /\n DATA SPCA_NAM( 60), SPCA_MAP( 60), MG20_NAM( 60), MG20_MAP( 60), EFFS_ALL( 60)\n & /'germacrene_B', 57 ,'SQT_HR', 9, 0.005 /\n DATA SPCA_NAM( 61), SPCA_MAP( 61), MG20_NAM( 61), MG20_MAP( 61), EFFS_ALL( 61)\n & /'selinene_b', 66 ,'SQT_HR', 9, 0.08 /\n DATA SPCA_NAM( 62), SPCA_MAP( 62), MG20_NAM( 62), MG20_MAP( 62), EFFS_ALL( 62)\n & /'calarene', 50 ,'SQT_HR', 9, 0.005 /\n DATA SPCA_NAM( 63), SPCA_MAP( 63), MG20_NAM( 63), MG20_MAP( 63), EFFS_ALL( 63)\n & /'farnescene_b', 55 ,'SQT_HR', 9, 0.05 /\n DATA SPCA_NAM( 64), SPCA_MAP( 64), MG20_NAM( 64), MG20_MAP( 64), EFFS_ALL( 64)\n & /'acoradiene', 43 ,'SQT_HR', 9, 0.01 /\n DATA SPCA_NAM( 65), SPCA_MAP( 65), MG20_NAM( 65), MG20_MAP( 65), EFFS_ALL( 65)\n & /'humulene_g', 60 ,'SQT_HR', 9, 0.01 /\n DATA SPCA_NAM( 66), SPCA_MAP( 66), MG20_NAM( 66), MG20_MAP( 66), EFFS_ALL( 66)\n & /'muurolene_g', 62 ,'SQT_HR', 9, 0.03 /\n DATA SPCA_NAM( 67), SPCA_MAP( 67), MG20_NAM( 67), MG20_MAP( 67), EFFS_ALL( 67)\n & /'germacrene_D', 58 ,'SQT_HR', 9, 0.02 /\n DATA SPCA_NAM( 68), SPCA_MAP( 68), MG20_NAM( 68), MG20_MAP( 68), EFFS_ALL( 68)\n & /'cadinene_g', 49 ,'SQT_HR', 9, 0.005 /\n DATA SPCA_NAM( 69), SPCA_MAP( 69), MG20_NAM( 69), MG20_MAP( 69), EFFS_ALL( 69)\n & /'nerolidol_t', 64 ,'SQT_HR', 9, 0.005 /\n DATA SPCA_NAM( 70), SPCA_MAP( 70), MG20_NAM( 70), MG20_MAP( 70), EFFS_ALL( 70)\n & /'bergamotene_b', 45 ,'SQT_HR', 9, 0.02 /\n DATA SPCA_NAM( 71), SPCA_MAP( 71), MG20_NAM( 71), MG20_MAP( 71), EFFS_ALL( 71)\n & /'bisabolene_a', 46 ,'SQT_HR', 9, 0.005 /\n DATA SPCA_NAM( 72), SPCA_MAP( 72), MG20_NAM( 72), MG20_MAP( 72), EFFS_ALL( 72)\n & /'cedrol', 73 ,'SQT_LR', 10, 0.01 /\n DATA SPCA_NAM( 73), SPCA_MAP( 73), MG20_NAM( 73), MG20_MAP( 73), EFFS_ALL( 73)\n & /'homosalate', 78 ,'SQT_LR', 10, 0.15 /\n DATA SPCA_NAM( 74), SPCA_MAP( 74), MG20_NAM( 74), MG20_MAP( 74), EFFS_ALL( 74)\n & /'2ethyl_hexyl_salate', 68 ,'SQT_LR', 10, 0.08 /\n DATA SPCA_NAM( 75), SPCA_MAP( 75), MG20_NAM( 75), MG20_MAP( 75), EFFS_ALL( 75)\n & /'cedrene_a', 72 ,'SQT_LR', 10, 0.03 /\n DATA SPCA_NAM( 76), SPCA_MAP( 76), MG20_NAM( 76), MG20_MAP( 76), EFFS_ALL( 76)\n & /'thujopsene', 83 ,'SQT_LR', 10, 0.01 /\n DATA SPCA_NAM( 77), SPCA_MAP( 77), MG20_NAM( 77), MG20_MAP( 77), EFFS_ALL( 77)\n & /'longifolene', 81 ,'SQT_LR', 10, 0.15 /\n DATA SPCA_NAM( 78), SPCA_MAP( 78), MG20_NAM( 78), MG20_MAP( 78), EFFS_ALL( 78)\n & /'cadinol_a', 71 ,'SQT_LR', 10, 0.01 /\n DATA SPCA_NAM( 79), SPCA_MAP( 79), MG20_NAM( 79), MG20_MAP( 79), EFFS_ALL( 79)\n & /'zingiberene_a', 85 ,'SQT_LR', 10, 0.01 /\n DATA SPCA_NAM( 80), SPCA_MAP( 80), MG20_NAM( 80), MG20_MAP( 80), EFFS_ALL( 80)\n & /'isolongifolene', 79 ,'SQT_LR', 10, 0.01 /\n DATA SPCA_NAM( 81), SPCA_MAP( 81), MG20_NAM( 81), MG20_MAP( 81), EFFS_ALL( 81)\n & /'longicyclene', 87 ,'SQT_LR', 10, 0.01 /\n DATA SPCA_NAM( 82), SPCA_MAP( 82), MG20_NAM( 82), MG20_MAP( 82), EFFS_ALL( 82)\n & /'copaene_a', 74 ,'SQT_LR', 10, 0.2 /\n DATA SPCA_NAM( 83), SPCA_MAP( 83), MG20_NAM( 83), MG20_MAP( 83), EFFS_ALL( 83)\n & /'bourbonene_b', 70 ,'SQT_LR', 10, 0.01 /\n DATA SPCA_NAM( 84), SPCA_MAP( 84), MG20_NAM( 84), MG20_MAP( 84), EFFS_ALL( 84)\n & /'longipinene', 82 ,'SQT_LR', 10, 0.03 /\n DATA SPCA_NAM( 85), SPCA_MAP( 85), MG20_NAM( 85), MG20_MAP( 85), EFFS_ALL( 85)\n & /'cubebene_b', 76 ,'SQT_LR', 10, 0.02 /\n DATA SPCA_NAM( 86), SPCA_MAP( 86), MG20_NAM( 86), MG20_MAP( 86), EFFS_ALL( 86)\n & /'ylangene_a', 84 ,'SQT_LR', 10, 0.01 /\n DATA SPCA_NAM( 87), SPCA_MAP( 87), MG20_NAM( 87), MG20_MAP( 87), EFFS_ALL( 87)\n & /'cubebene_a', 75 ,'SQT_LR', 10, 0.05 /\n DATA SPCA_NAM( 88), SPCA_MAP( 88), MG20_NAM( 88), MG20_MAP( 88), EFFS_ALL( 88)\n & /'copaene_b', 86 ,'SQT_LR', 10, 0.03 /\n DATA SPCA_NAM( 89), SPCA_MAP( 89), MG20_NAM( 89), MG20_MAP( 89), EFFS_ALL( 89)\n & /'kaur_16_ene', 80 ,'SQT_LR', 10, 0.15 /\n DATA SPCA_NAM( 90), SPCA_MAP( 90), MG20_NAM( 90), MG20_MAP( 90), EFFS_ALL( 90)\n & /'gurjunene_b', 77 ,'SQT_LR', 10, 0.01 /\n DATA SPCA_NAM( 91), SPCA_MAP( 91), MG20_NAM( 91), MG20_MAP( 91), EFFS_ALL( 91)\n & /'aromadendrene', 69 ,'SQT_LR', 10, 0.02 /\n DATA SPCA_NAM( 92), SPCA_MAP( 92), MG20_NAM( 92), MG20_MAP( 92), EFFS_ALL( 92)\n & /'methanol', 88 ,'MEOH', 11, 1 /\n DATA SPCA_NAM( 93), SPCA_MAP( 93), MG20_NAM( 93), MG20_MAP( 93), EFFS_ALL( 93)\n & /'acetone', 89 ,'ACTO', 12, 1 /\n DATA SPCA_NAM( 94), SPCA_MAP( 94), MG20_NAM( 94), MG20_MAP( 94), EFFS_ALL( 94)\n & /'ethanol', 91 ,'ETOH', 13, 0.5 /\n DATA SPCA_NAM( 95), SPCA_MAP( 95), MG20_NAM( 95), MG20_MAP( 95), EFFS_ALL( 95)\n & /'acetaldehyde', 90 ,'ETOH', 13, 0.5 /\n DATA SPCA_NAM( 96), SPCA_MAP( 96), MG20_NAM( 96), MG20_MAP( 96), EFFS_ALL( 96)\n & /'formic_acid', 93 ,'ACID', 14, 0.8 /\n DATA SPCA_NAM( 97), SPCA_MAP( 97), MG20_NAM( 97), MG20_MAP( 97), EFFS_ALL( 97)\n & /'acetic_acid', 92 ,'ACID', 14, 0.19 /\n DATA SPCA_NAM( 98), SPCA_MAP( 98), MG20_NAM( 98), MG20_MAP( 98), EFFS_ALL( 98)\n & /'pyruvic_acid', 94 ,'ACID', 14, 0.01 /\n DATA SPCA_NAM( 99), SPCA_MAP( 99), MG20_NAM( 99), MG20_MAP( 99), EFFS_ALL( 99)\n & /'ethane', 100 ,'LVOC', 15, 0.18 /\n DATA SPCA_NAM( 100), SPCA_MAP( 100), MG20_NAM( 100), MG20_MAP( 100), EFFS_ALL( 100)\n & /'ethene', 101 ,'LVOC', 15, 0.36 /\n DATA SPCA_NAM( 101), SPCA_MAP( 101), MG20_NAM( 101), MG20_MAP( 101), EFFS_ALL( 101)\n & /'propane', 102 ,'LVOC', 15, 0.12 /\n DATA SPCA_NAM( 102), SPCA_MAP( 102), MG20_NAM( 102), MG20_MAP( 102), EFFS_ALL( 102)\n & /'butane', 96 ,'LVOC', 15, 0.005 /\n DATA SPCA_NAM( 103), SPCA_MAP( 103), MG20_NAM( 103), MG20_MAP( 103), EFFS_ALL( 103)\n & /'butene', 97 ,'LVOC', 15, 0.03 /\n DATA SPCA_NAM( 104), SPCA_MAP( 104), MG20_NAM( 104), MG20_MAP( 104), EFFS_ALL( 104)\n & /'propene', 103 ,'LVOC', 15, 0.28 /\n DATA SPCA_NAM( 105), SPCA_MAP( 105), MG20_NAM( 105), MG20_MAP( 105), EFFS_ALL( 105)\n & /'2_methylprop_1_ene', 95 ,'LVOC', 15, 0.01 /\n DATA SPCA_NAM( 106), SPCA_MAP( 106), MG20_NAM( 106), MG20_MAP( 106), EFFS_ALL( 106)\n & /'butene_c2', 98 ,'LVOC', 15, 0.01 /\n DATA SPCA_NAM( 107), SPCA_MAP( 107), MG20_NAM( 107), MG20_MAP( 107), EFFS_ALL( 107)\n & /'butene_t2', 99 ,'LVOC', 15, 0.005 /\n DATA SPCA_NAM( 108), SPCA_MAP( 108), MG20_NAM( 108), MG20_MAP( 108), EFFS_ALL( 108)\n & /'formaldehyde', 113 ,'OXPROD', 16, 0.9 /\n DATA SPCA_NAM( 109), SPCA_MAP( 109), MG20_NAM( 109), MG20_MAP( 109), EFFS_ALL( 109)\n & /'pentanal', 111 ,'OXPROD', 16, 0.005 /\n DATA SPCA_NAM( 110), SPCA_MAP( 110), MG20_NAM( 110), MG20_MAP( 110), EFFS_ALL( 110)\n & /'heptanal', 178 ,'OTHER', 18, 0.005 /\n DATA SPCA_NAM( 111), SPCA_MAP( 111), MG20_NAM( 111), MG20_MAP( 111), EFFS_ALL( 111)\n & /'met_heptenone', 106 ,'OXPROD', 16, 0.01 /\n DATA SPCA_NAM( 112), SPCA_MAP( 112), MG20_NAM( 112), MG20_MAP( 112), EFFS_ALL( 112)\n & /'decanal', 104 ,'OXPROD', 16, 0.005 /\n DATA SPCA_NAM( 113), SPCA_MAP( 113), MG20_NAM( 113), MG20_MAP( 113), EFFS_ALL( 113)\n & /'octanal', 110 ,'OXPROD', 16, 0.005 /\n DATA SPCA_NAM( 114), SPCA_MAP( 114), MG20_NAM( 114), MG20_MAP( 114), EFFS_ALL( 114)\n & /'nonanal', 108 ,'OXPROD', 16, 0.005 /\n DATA SPCA_NAM( 115), SPCA_MAP( 115), MG20_NAM( 115), MG20_MAP( 115), EFFS_ALL( 115)\n & /'oxopentanal', 114 ,'OXPROD', 16, 0.03 /\n DATA SPCA_NAM( 116), SPCA_MAP( 116), MG20_NAM( 116), MG20_MAP( 116), EFFS_ALL( 116)\n & /'nonenal', 109 ,'OXPROD', 16, 0.005 /\n DATA SPCA_NAM( 117), SPCA_MAP( 117), MG20_NAM( 117), MG20_MAP( 117), EFFS_ALL( 117)\n & /'t-2-octenal', 112 ,'OXPROD', 16, 0.005 /\n DATA SPCA_NAM( 118), SPCA_MAP( 118), MG20_NAM( 118), MG20_MAP( 118), EFFS_ALL( 118)\n & /'geranyl_acetone', 105 ,'OXPROD', 16, 0.02 /\n DATA SPCA_NAM( 119), SPCA_MAP( 119), MG20_NAM( 119), MG20_MAP( 119), EFFS_ALL( 119)\n & /'neryl_acetone', 107 ,'OXPROD', 16, 0.005 /\n DATA SPCA_NAM( 120), SPCA_MAP( 120), MG20_NAM( 120), MG20_MAP( 120), EFFS_ALL( 120)\n & /'hexanal', 141 ,'STRESS', 17, 0.06 /\n DATA SPCA_NAM( 121), SPCA_MAP( 121), MG20_NAM( 121), MG20_MAP( 121), EFFS_ALL( 121)\n & /'guaiacol', 140 ,'STRESS', 17, 0.005 /\n DATA SPCA_NAM( 122), SPCA_MAP( 122), MG20_NAM( 122), MG20_MAP( 122), EFFS_ALL( 122)\n & /'eugenol', 139 ,'STRESS', 17, 0.01 /\n DATA SPCA_NAM( 123), SPCA_MAP( 123), MG20_NAM( 123), MG20_MAP( 123), EFFS_ALL( 123)\n & /'phenylacetaldehyde', 161 ,'STRESS', 17, 0.005 /\n DATA SPCA_NAM( 124), SPCA_MAP( 124), MG20_NAM( 124), MG20_MAP( 124), EFFS_ALL( 124)\n & /'anisole', 126 ,'STRESS', 17, 0.01 /\n DATA SPCA_NAM( 125), SPCA_MAP( 125), MG20_NAM( 125), MG20_MAP( 125), EFFS_ALL( 125)\n & /'ethyl_cinnamate', 138 ,'STRESS', 17, 0.005 /\n DATA SPCA_NAM( 126), SPCA_MAP( 126), MG20_NAM( 126), MG20_MAP( 126), EFFS_ALL( 126)\n & /'cinnamaldehyde', 134 ,'STRESS', 17, 0.005 /\n DATA SPCA_NAM( 127), SPCA_MAP( 127), MG20_NAM( 127), MG20_MAP( 127), EFFS_ALL( 127)\n & /'cinnamic_acid', 135 ,'STRESS', 17, 0.005 /\n DATA SPCA_NAM( 128), SPCA_MAP( 128), MG20_NAM( 128), MG20_MAP( 128), EFFS_ALL( 128)\n & /'jasmone', 149 ,'STRESS', 17, 0.005 /\n DATA SPCA_NAM( 129), SPCA_MAP( 129), MG20_NAM( 129), MG20_MAP( 129), EFFS_ALL( 129)\n & /'chavicol', 132 ,'STRESS', 17, 0.02 /\n DATA SPCA_NAM( 130), SPCA_MAP( 130), MG20_NAM( 130), MG20_MAP( 130), EFFS_ALL( 130)\n & /'salicylaldehyde', 163 ,'STRESS', 17, 0.005 /\n DATA SPCA_NAM( 131), SPCA_MAP( 131), MG20_NAM( 131), MG20_MAP( 131), EFFS_ALL( 131)\n & /'p_coumaric_acid', 159 ,'STRESS', 17, 0.005 /\n DATA SPCA_NAM( 132), SPCA_MAP( 132), MG20_NAM( 132), MG20_MAP( 132), EFFS_ALL( 132)\n & /'linalool_OXD_c', 151 ,'STRESS', 17, 0.005 /\n DATA SPCA_NAM( 133), SPCA_MAP( 133), MG20_NAM( 133), MG20_MAP( 133), EFFS_ALL( 133)\n & /'linalool_OXD_t', 152 ,'STRESS', 17, 0.005 /\n DATA SPCA_NAM( 134), SPCA_MAP( 134), MG20_NAM( 134), MG20_MAP( 134), EFFS_ALL( 134)\n & /'2met_nonatriene', 137 ,'STRESS', 17, 0.05 /\n DATA SPCA_NAM( 135), SPCA_MAP( 135), MG20_NAM( 135), MG20_MAP( 135), EFFS_ALL( 135)\n & /'3met_3DCTT', 165 ,'STRESS', 17, 0.01 /\n DATA SPCA_NAM( 136), SPCA_MAP( 136), MG20_NAM( 136), MG20_MAP( 136), EFFS_ALL( 136)\n & /'1_pentanol', 115 ,'STRESS', 17, 0.005 /\n DATA SPCA_NAM( 137), SPCA_MAP( 137), MG20_NAM( 137), MG20_MAP( 137), EFFS_ALL( 137)\n & /'benzene', 128 ,'STRESS', 17, 0.005 /\n DATA SPCA_NAM( 138), SPCA_MAP( 138), MG20_NAM( 138), MG20_MAP( 138), EFFS_ALL( 138)\n & /'hydrogen_cyanide', 147 ,'STRESS', 17, 0.05 /\n DATA SPCA_NAM( 139), SPCA_MAP( 139), MG20_NAM( 139), MG20_MAP( 139), EFFS_ALL( 139)\n & /'isobutyronitrile', 148 ,'STRESS', 17, 0.005 /\n DATA SPCA_NAM( 140), SPCA_MAP( 140), MG20_NAM( 140), MG20_MAP( 140), EFFS_ALL( 140)\n & /'methacrolein', 153 ,'STRESS', 17, 0.05 /\n DATA SPCA_NAM( 141), SPCA_MAP( 141), MG20_NAM( 141), MG20_MAP( 141), EFFS_ALL( 141)\n & /'met_vinylketone', 158 ,'STRESS', 17, 0.05 /\n DATA SPCA_NAM( 142), SPCA_MAP( 142), MG20_NAM( 142), MG20_MAP( 142), EFFS_ALL( 142)\n & /'met_acetate', 157 ,'STRESS', 17, 0.01 /\n DATA SPCA_NAM( 143), SPCA_MAP( 143), MG20_NAM( 143), MG20_MAP( 143), EFFS_ALL( 143)\n & /'met_benzoate', 154 ,'STRESS', 17, 0.01 /\n DATA SPCA_NAM( 144), SPCA_MAP( 144), MG20_NAM( 144), MG20_MAP( 144), EFFS_ALL( 144)\n & /'safrole', 162 ,'STRESS', 17, 0.005 /\n DATA SPCA_NAM( 145), SPCA_MAP( 145), MG20_NAM( 145), MG20_MAP( 145), EFFS_ALL( 145)\n & /'3_pentanone', 121 ,'STRESS', 17, 0.005 /\n DATA SPCA_NAM( 146), SPCA_MAP( 146), MG20_NAM( 146), MG20_MAP( 146), EFFS_ALL( 146)\n & /'acetophenone', 125 ,'STRESS', 17, 0.01 /\n DATA SPCA_NAM( 147), SPCA_MAP( 147), MG20_NAM( 147), MG20_MAP( 147), EFFS_ALL( 147)\n & /'benzyl_alcohol', 131 ,'STRESS', 17, 0.01 /\n DATA SPCA_NAM( 148), SPCA_MAP( 148), MG20_NAM( 148), MG20_MAP( 148), EFFS_ALL( 148)\n & /'benzaldehyde', 127 ,'STRESS', 17, 0.01 /\n DATA SPCA_NAM( 149), SPCA_MAP( 149), MG20_NAM( 149), MG20_MAP( 149), EFFS_ALL( 149)\n & /'toluene', 164 ,'STRESS', 17, 0.01 /\n DATA SPCA_NAM( 150), SPCA_MAP( 150), MG20_NAM( 150), MG20_MAP( 150), EFFS_ALL( 150)\n & /'phenol', 160 ,'STRESS', 17, 0.01 /\n DATA SPCA_NAM( 151), SPCA_MAP( 151), MG20_NAM( 151), MG20_MAP( 151), EFFS_ALL( 151)\n & /'2_pentene', 118 ,'STRESS', 17, 0.005 /\n DATA SPCA_NAM( 152), SPCA_MAP( 152), MG20_NAM( 152), MG20_MAP( 152), EFFS_ALL( 152)\n & /'hexanol_1', 142 ,'STRESS', 17, 0.02 /\n DATA SPCA_NAM( 153), SPCA_MAP( 153), MG20_NAM( 153), MG20_MAP( 153), EFFS_ALL( 153)\n & /'met_salicylate', 156 ,'STRESS', 17, 0.09 /\n DATA SPCA_NAM( 154), SPCA_MAP( 154), MG20_NAM( 154), MG20_MAP( 154), EFFS_ALL( 154)\n & /'benzyl_benzoate', 129 ,'STRESS', 17, 0.005 /\n DATA SPCA_NAM( 155), SPCA_MAP( 155), MG20_NAM( 155), MG20_MAP( 155), EFFS_ALL( 155)\n & /'benzyl_acetate', 130 ,'STRESS', 17, 0.005 /\n DATA SPCA_NAM( 156), SPCA_MAP( 156), MG20_NAM( 156), MG20_MAP( 156), EFFS_ALL( 156)\n & /'hexenal_t2', 144 ,'STRESS', 17, 0.05 /\n DATA SPCA_NAM( 157), SPCA_MAP( 157), MG20_NAM( 157), MG20_MAP( 157), EFFS_ALL( 157)\n & /'3_metthiophene', 120 ,'STRESS', 17, 0.005 /\n DATA SPCA_NAM( 158), SPCA_MAP( 158), MG20_NAM( 158), MG20_MAP( 158), EFFS_ALL( 158)\n & /'4_penten_1_ol', 123 ,'STRESS', 17, 0.005 /\n DATA SPCA_NAM( 159), SPCA_MAP( 159), MG20_NAM( 159), MG20_MAP( 159), EFFS_ALL( 159)\n & /'hexenol_c3', 145 ,'STRESS', 17, 0.1 /\n DATA SPCA_NAM( 160), SPCA_MAP( 160), MG20_NAM( 160), MG20_MAP( 160), EFFS_ALL( 160)\n & /'3_metfuran', 119 ,'STRESS', 17, 0.01 /\n DATA SPCA_NAM( 161), SPCA_MAP( 161), MG20_NAM( 161), MG20_MAP( 161), EFFS_ALL( 161)\n & /'met_jasmonate', 155 ,'STRESS', 17, 0.01 /\n DATA SPCA_NAM( 162), SPCA_MAP( 162), MG20_NAM( 162), MG20_MAP( 162), EFFS_ALL( 162)\n & /'xylene', 166 ,'STRESS', 17, 0.005 /\n DATA SPCA_NAM( 163), SPCA_MAP( 163), MG20_NAM( 163), MG20_MAP( 163), EFFS_ALL( 163)\n & /'z2_penten_1ol', 167 ,'STRESS', 17, 0.005 /\n DATA SPCA_NAM( 164), SPCA_MAP( 164), MG20_NAM( 164), MG20_MAP( 164), EFFS_ALL( 164)\n & /'1_penten_3_one', 116 ,'STRESS', 17, 0.005 /\n DATA SPCA_NAM( 165), SPCA_MAP( 165), MG20_NAM( 165), MG20_MAP( 165), EFFS_ALL( 165)\n & /'hexenyl_ACT_c3', 146 ,'STRESS', 17, 0.09 /\n DATA SPCA_NAM( 166), SPCA_MAP( 166), MG20_NAM( 166), MG20_MAP( 166), EFFS_ALL( 166)\n & /'3_penten_2_ol', 122 ,'STRESS', 17, 0.005 /\n DATA SPCA_NAM( 167), SPCA_MAP( 167), MG20_NAM( 167), MG20_MAP( 167), EFFS_ALL( 167)\n & /'hexenal_c3', 143 ,'STRESS', 17, 0.1 /\n DATA SPCA_NAM( 168), SPCA_MAP( 168), MG20_NAM( 168), MG20_MAP( 168), EFFS_ALL( 168)\n & /'indole', 183 ,'STRESS', 17, 0.01 /\n DATA SPCA_NAM( 169), SPCA_MAP( 169), MG20_NAM( 169), MG20_MAP( 169), EFFS_ALL( 169)\n & /'8_heptadecene', 124 ,'STRESS', 17, 0.005 /\n DATA SPCA_NAM( 170), SPCA_MAP( 170), MG20_NAM( 170), MG20_MAP( 170), EFFS_ALL( 170)\n & /'z3_hexen_1yl_butyrate', 169 ,'STRESS', 17, 0.005 /\n DATA SPCA_NAM( 171), SPCA_MAP( 171), MG20_NAM( 171), MG20_MAP( 171), EFFS_ALL( 171)\n & /'2_met_butanenitrile', 117 ,'STRESS', 17, 0.005 /\n DATA SPCA_NAM( 172), SPCA_MAP( 172), MG20_NAM( 172), MG20_MAP( 172), EFFS_ALL( 172)\n & /'z2_penten_3ol', 168 ,'STRESS', 17, 0.005 /\n DATA SPCA_NAM( 173), SPCA_MAP( 173), MG20_NAM( 173), MG20_MAP( 173), EFFS_ALL( 173)\n & /'methane', 184 ,'OTHER', 18, 0.15 /\n DATA SPCA_NAM( 174), SPCA_MAP( 174), MG20_NAM( 174), MG20_MAP( 174), EFFS_ALL( 174)\n & /'met_bromide', 185 ,'OTHER', 18, 0.03 /\n DATA SPCA_NAM( 175), SPCA_MAP( 175), MG20_NAM( 175), MG20_MAP( 175), EFFS_ALL( 175)\n & /'met_chloride', 186 ,'OTHER', 18, 0.15 /\n DATA SPCA_NAM( 176), SPCA_MAP( 176), MG20_NAM( 176), MG20_MAP( 176), EFFS_ALL( 176)\n & /'met_iodide', 187 ,'OTHER', 18, 0.22 /\n DATA SPCA_NAM( 177), SPCA_MAP( 177), MG20_NAM( 177), MG20_MAP( 177), EFFS_ALL( 177)\n & /'met_mercaptan', 188 ,'OTHER', 18, 0.01 /\n DATA SPCA_NAM( 178), SPCA_MAP( 178), MG20_NAM( 178), MG20_MAP( 178), EFFS_ALL( 178)\n & /'octenol_1e3ol', 37 ,'OTHER', 18, 0.01 /\n DATA SPCA_NAM( 179), SPCA_MAP( 179), MG20_NAM( 179), MG20_MAP( 179), EFFS_ALL( 179)\n & /'octanol', 36 ,'OTHER', 18, 0.01 /\n DATA SPCA_NAM( 180), SPCA_MAP( 180), MG20_NAM( 180), MG20_MAP( 180), EFFS_ALL( 180)\n & /'carbon_2s', 171 ,'OTHER', 18, 0.01 /\n DATA SPCA_NAM( 181), SPCA_MAP( 181), MG20_NAM( 181), MG20_MAP( 181), EFFS_ALL( 181)\n & /'2met_s', 176 ,'OTHER', 18, 0.1 /\n DATA SPCA_NAM( 182), SPCA_MAP( 182), MG20_NAM( 182), MG20_MAP( 182), EFFS_ALL( 182)\n & /'butanone_2', 170 ,'OTHER', 18, 0.07 /\n DATA SPCA_NAM( 183), SPCA_MAP( 183), MG20_NAM( 183), MG20_MAP( 183), EFFS_ALL( 183)\n & /'skatole', 196 ,'OTHER', 18, 0.01 /\n DATA SPCA_NAM( 184), SPCA_MAP( 184), MG20_NAM( 184), MG20_MAP( 184), EFFS_ALL( 184)\n & /'naphthalene', 192 ,'OTHER', 18, 0.01 /\n DATA SPCA_NAM( 185), SPCA_MAP( 185), MG20_NAM( 185), MG20_MAP( 185), EFFS_ALL( 185)\n & /'pentane', 193 ,'OTHER', 18, 0.01 /\n DATA SPCA_NAM( 186), SPCA_MAP( 186), MG20_NAM( 186), MG20_MAP( 186), EFFS_ALL( 186)\n & /'heptanone', 180 ,'OTHER', 18, 0.01 /\n DATA SPCA_NAM( 187), SPCA_MAP( 187), MG20_NAM( 187), MG20_MAP( 187), EFFS_ALL( 187)\n & /'hexane', 181 ,'OTHER', 18, 0.01 /\n DATA SPCA_NAM( 188), SPCA_MAP( 188), MG20_NAM( 188), MG20_MAP( 188), EFFS_ALL( 188)\n & /'dodecene_1', 177 ,'OTHER', 18, 0.01 /\n DATA SPCA_NAM( 189), SPCA_MAP( 189), MG20_NAM( 189), MG20_MAP( 189), EFFS_ALL( 189)\n & /'decane', 173 ,'OTHER', 18, 0.01 /\n DATA SPCA_NAM( 190), SPCA_MAP( 190), MG20_NAM( 190), MG20_MAP( 190), EFFS_ALL( 190)\n & /'heptane', 179 ,'OTHER', 18, 0.01 /\n DATA SPCA_NAM( 191), SPCA_MAP( 191), MG20_NAM( 191), MG20_MAP( 191), EFFS_ALL( 191)\n & /'carbonyl_s', 172 ,'OTHER', 18, 0.03 /\n DATA SPCA_NAM( 192), SPCA_MAP( 192), MG20_NAM( 192), MG20_MAP( 192), EFFS_ALL( 192)\n & /'MBO_3m2e1ol', 190 ,'OTHER', 18, 0.01 /\n DATA SPCA_NAM( 193), SPCA_MAP( 193), MG20_NAM( 193), MG20_MAP( 193), EFFS_ALL( 193)\n & /'2met_2s', 175 ,'OTHER', 18, 0.01 /\n DATA SPCA_NAM( 194), SPCA_MAP( 194), MG20_NAM( 194), MG20_MAP( 194), EFFS_ALL( 194)\n & /'MBO_3m3e1ol', 191 ,'OTHER', 18, 0.01 /\n DATA SPCA_NAM( 195), SPCA_MAP( 195), MG20_NAM( 195), MG20_MAP( 195), EFFS_ALL( 195)\n & /'undecane', 199 ,'OTHER', 18, 0.01 /\n DATA SPCA_NAM( 196), SPCA_MAP( 196), MG20_NAM( 196), MG20_MAP( 196), EFFS_ALL( 196)\n & /'tetradecene_1', 198 ,'OTHER', 18, 0.01 /\n DATA SPCA_NAM( 197), SPCA_MAP( 197), MG20_NAM( 197), MG20_MAP( 197), EFFS_ALL( 197)\n & /'diallyl_2s', 174 ,'OTHER', 18, 0.01 /\n DATA SPCA_NAM( 198), SPCA_MAP( 198), MG20_NAM( 198), MG20_MAP( 198), EFFS_ALL( 198)\n & /'PPPP_2s', 194 ,'OTHER', 18, 0.01 /\n DATA SPCA_NAM( 199), SPCA_MAP( 199), MG20_NAM( 199), MG20_MAP( 199), EFFS_ALL( 199)\n & /'met_propenyl_2s', 189 ,'OTHER', 18, 0.01 /\n DATA SPCA_NAM( 200), SPCA_MAP( 200), MG20_NAM( 200), MG20_MAP( 200), EFFS_ALL( 200)\n & /'hydrogen_s', 182 ,'OTHER', 18, 0.05 /\n DATA SPCA_NAM( 201), SPCA_MAP( 201), MG20_NAM( 201), MG20_MAP( 201), EFFS_ALL( 201)\n & / 'nitric_OXD', 201 , 'NO ', 8 , 1 /\n" }, { "path": "CCTM/src/biog/megan3/SPC_RACM2.EXT", "content": "C=======================================================================\nC SPC_RACM2.EXT\nC This include file contains RACM2 species and their MW.\nC\nC\nC Mechanism Name: RACM2\nC MEGAN v3\nC\nC History:\nC Who When What\nC ---------------------------------------------------------------------\nC Ling Huang 06/13/17 - Created for MEGANv3\nC=======================================================================\n\n INTEGER,PARAMETER :: N_RACM2_SPC = 38 ! Number of mechanism species\n CHARACTER*26 MECH_SPC_RACM2( N_RACM2_SPC ) ! Mechanism species name\n REAL MECH_MWT_RACM2( N_RACM2_SPC ) ! Mechanism species mol. wt.\n\n DATA MECH_SPC_RACM2( 1), MECH_MWT_RACM2( 1) /'ISO ', 68.12 /\n DATA MECH_SPC_RACM2( 2), MECH_MWT_RACM2( 2) /'CH4 ', 16.04 /\n DATA MECH_SPC_RACM2( 3), MECH_MWT_RACM2( 3) /'ETH ', 30.00 /\n DATA MECH_SPC_RACM2( 4), MECH_MWT_RACM2( 4) /'HC3 ', 44.00 /\n DATA MECH_SPC_RACM2( 5), MECH_MWT_RACM2( 5) /'HC5 ', 72.00 /\n DATA MECH_SPC_RACM2( 6), MECH_MWT_RACM2( 6) /'HC8 ', 114.00 /\n DATA MECH_SPC_RACM2( 7), MECH_MWT_RACM2( 7) /'OL2 ', 28.00 /\n DATA MECH_SPC_RACM2( 8), MECH_MWT_RACM2( 8) /'OLI ', 68.00 /\n DATA MECH_SPC_RACM2( 9), MECH_MWT_RACM2( 9) /'OLT ', 42.00 /\n DATA MECH_SPC_RACM2( 10), MECH_MWT_RACM2( 10) /'ALD ', 44.05 /\n DATA MECH_SPC_RACM2( 11), MECH_MWT_RACM2( 11) /'KET ', 72.00 /\n DATA MECH_SPC_RACM2( 12), MECH_MWT_RACM2( 12) /'TOL ', 92.14 /\n DATA MECH_SPC_RACM2( 13), MECH_MWT_RACM2( 13) /'HCHO ', 30.00 /\n DATA MECH_SPC_RACM2( 14), MECH_MWT_RACM2( 14) /'ORA1 ', 46.00 /\n DATA MECH_SPC_RACM2( 15), MECH_MWT_RACM2( 15) /'ORA2 ', 60.00 /\n DATA MECH_SPC_RACM2( 16), MECH_MWT_RACM2( 16) /'API ', 136.00 /\n DATA MECH_SPC_RACM2( 17), MECH_MWT_RACM2( 17) /'LIM ', 136.00 /\n DATA MECH_SPC_RACM2( 18), MECH_MWT_RACM2( 18) /'CO ', 28.01 /\n DATA MECH_SPC_RACM2( 19), MECH_MWT_RACM2( 19) /'SO2 ', 64.00 /\n DATA MECH_SPC_RACM2( 20), MECH_MWT_RACM2( 20) /'NO ', 46.00 /\n DATA MECH_SPC_RACM2( 21), MECH_MWT_RACM2( 21) /'HNO3 ', 63.01 /\n DATA MECH_SPC_RACM2( 22), MECH_MWT_RACM2( 22) /'NO2 ', 46.00 /\n DATA MECH_SPC_RACM2( 23), MECH_MWT_RACM2( 23) /'NR ', 1.00 /\n DATA MECH_SPC_RACM2( 24), MECH_MWT_RACM2( 24) /'SESQ ', 204.35 / \n DATA MECH_SPC_RACM2( 25), MECH_MWT_RACM2( 25) /'MOH ', 32.04 /\n DATA MECH_SPC_RACM2( 26), MECH_MWT_RACM2( 26) /'ACT ', 58.08 /\n DATA MECH_SPC_RACM2( 27), MECH_MWT_RACM2( 27) /'EOH ', 46.07 /\n DATA MECH_SPC_RACM2( 28), MECH_MWT_RACM2( 28) /'ACD ', 44.00 /\n DATA MECH_SPC_RACM2( 29), MECH_MWT_RACM2( 29) /'ETE ', 28.00 /\n DATA MECH_SPC_RACM2( 30), MECH_MWT_RACM2( 30) /'MVK ', 70.09 /\n DATA MECH_SPC_RACM2( 31), MECH_MWT_RACM2( 31) /'HCN ', 27.03 /\n DATA MECH_SPC_RACM2( 32), MECH_MWT_RACM2( 32) /'MACR ', 70.09 /\n DATA MECH_SPC_RACM2( 33), MECH_MWT_RACM2( 33) /'CH3BR', 94.94 /\n DATA MECH_SPC_RACM2( 34), MECH_MWT_RACM2( 34) /'CH3CL', 50.49 /\n DATA MECH_SPC_RACM2( 35), MECH_MWT_RACM2( 35) /'CH3I ', 141.94 /\n DATA MECH_SPC_RACM2( 36), MECH_MWT_RACM2( 36) /'TRS ', 34.08 /\n DATA MECH_SPC_RACM2( 37), MECH_MWT_RACM2( 37) /'NH3 ', 17.03 /\n DATA MECH_SPC_RACM2( 38), MECH_MWT_RACM2( 38) /'N2O ', 44.01 /\n" }, { "path": "CCTM/src/biog/megan3/SPC_SAPRC07.EXT", "content": "C=======================================================================\nC SPC_SAPRC07.EXT\nC This include file contains SAPRC07 species and their MW.\nC\nC\nC Mechanism Name: SAPRC07\nC MEGAN v3\nC INPUT version x.x\nC\nC History:\nC Who When What\nC ---------------------------------------------------------------------\nC Ling Huang 06/13/17 - Created for MEGAN3\nC=======================================================================\n\n CHARACTER*16 SPC_SAPRC07MECH\n PARAMETER (SPC_SAPRC07MECH = 'SAPRC07 ')\n\n INTEGER N_SAPRC07_SPC\n PARAMETER (N_SAPRC07_SPC = 47)\n\n CHARACTER*16 MECH_SPC_SAPRC07( N_SAPRC07_SPC ) ! Mechanism species name\n REAL MECH_MWT_SAPRC07( N_SAPRC07_SPC ) ! Mechanism species molecular weight\n\n! Note conversion between 134 species and SAPRC07 is done by 1:1 mole\n\n\n DATA MECH_SPC_SAPRC07( 1), MECH_MWT_SAPRC07( 1) / 'CH4 ', 16.04 /\n DATA MECH_SPC_SAPRC07( 2), MECH_MWT_SAPRC07( 2) / 'ALK1 ', 30.07 /\n DATA MECH_SPC_SAPRC07( 3), MECH_MWT_SAPRC07( 3) / 'ALK2 ', 36.73 /\n DATA MECH_SPC_SAPRC07( 4), MECH_MWT_SAPRC07( 4) / 'ALK3 ', 58.61 /\n DATA MECH_SPC_SAPRC07( 5), MECH_MWT_SAPRC07( 5) / 'ALK4 ', 77.60 /\n DATA MECH_SPC_SAPRC07( 6), MECH_MWT_SAPRC07( 6) / 'ALK5 ', 118.89 /\n DATA MECH_SPC_SAPRC07( 7), MECH_MWT_SAPRC07( 7) / 'ETHE ', 28.05 /\n DATA MECH_SPC_SAPRC07( 8), MECH_MWT_SAPRC07( 8) / 'OLE1 ', 72.34 /\n DATA MECH_SPC_SAPRC07( 9), MECH_MWT_SAPRC07( 9) / 'OLE2 ', 75.78 /\n DATA MECH_SPC_SAPRC07( 10), MECH_MWT_SAPRC07( 10) / 'ISOP ', 68.12 /\n DATA MECH_SPC_SAPRC07( 11), MECH_MWT_SAPRC07( 11) / 'TERP ', 136.24 /\n DATA MECH_SPC_SAPRC07( 12), MECH_MWT_SAPRC07( 12) / 'BENZ ', 78.11 /\n DATA MECH_SPC_SAPRC07( 13), MECH_MWT_SAPRC07( 13) / 'ARO1 ', 95.16 /\n DATA MECH_SPC_SAPRC07( 14), MECH_MWT_SAPRC07( 14) / 'ARO2 ', 118.72 /\n DATA MECH_SPC_SAPRC07( 15), MECH_MWT_SAPRC07( 15) / 'ACYE ', 26.04 /\n DATA MECH_SPC_SAPRC07( 16), MECH_MWT_SAPRC07( 16) / 'HCHO ', 30.03 /\n DATA MECH_SPC_SAPRC07( 17), MECH_MWT_SAPRC07( 17) / 'CCHO ', 44.05 /\n DATA MECH_SPC_SAPRC07( 18), MECH_MWT_SAPRC07( 18) / 'RCHO ', 58.08 /\n DATA MECH_SPC_SAPRC07( 19), MECH_MWT_SAPRC07( 19) / 'BALD ', 106.13 /\n DATA MECH_SPC_SAPRC07( 20), MECH_MWT_SAPRC07( 20) / 'ACET ', 58.08 /\n DATA MECH_SPC_SAPRC07( 21), MECH_MWT_SAPRC07( 21) / 'MEK ', 72.11 /\n DATA MECH_SPC_SAPRC07( 22), MECH_MWT_SAPRC07( 22) / 'PRD2 ', 116.16 /\n DATA MECH_SPC_SAPRC07( 23), MECH_MWT_SAPRC07( 23) / 'MEOH ', 32.04 /\n DATA MECH_SPC_SAPRC07( 24), MECH_MWT_SAPRC07( 24) / 'FACD ', 46.03 /\n DATA MECH_SPC_SAPRC07( 25), MECH_MWT_SAPRC07( 25) / 'AACD ', 60.05 /\n DATA MECH_SPC_SAPRC07( 26), MECH_MWT_SAPRC07( 26) / 'PACD ', 74.08 /\n DATA MECH_SPC_SAPRC07( 27), MECH_MWT_SAPRC07( 27) / 'GLY ', 58.04 /\n DATA MECH_SPC_SAPRC07( 28), MECH_MWT_SAPRC07( 28) / 'MGLY ', 72.07 /\n DATA MECH_SPC_SAPRC07( 29), MECH_MWT_SAPRC07( 29) / 'BACL ', 86.09 /\n DATA MECH_SPC_SAPRC07( 30), MECH_MWT_SAPRC07( 30) / 'CRES ', 108.14 /\n DATA MECH_SPC_SAPRC07( 31), MECH_MWT_SAPRC07( 31) / 'MACR ', 70.09 /\n DATA MECH_SPC_SAPRC07( 32), MECH_MWT_SAPRC07( 32) / 'MVK ', 70.09 /\n DATA MECH_SPC_SAPRC07( 33), MECH_MWT_SAPRC07( 33) / 'IPRD ', 70.09 /\n DATA MECH_SPC_SAPRC07( 34), MECH_MWT_SAPRC07( 34) / 'RNO3 ', 147.18 /\n DATA MECH_SPC_SAPRC07( 35), MECH_MWT_SAPRC07( 35) / 'CO ', 28.01 /\n DATA MECH_SPC_SAPRC07( 36), MECH_MWT_SAPRC07( 36) / 'SESQ ', 204.36 /\n DATA MECH_SPC_SAPRC07( 37), MECH_MWT_SAPRC07( 37) / 'HCN ', 27.03 /\n DATA MECH_SPC_SAPRC07( 38), MECH_MWT_SAPRC07( 38) / 'CH3BR ', 94.94 /\n DATA MECH_SPC_SAPRC07( 39), MECH_MWT_SAPRC07( 39) / 'CH3CL ', 50.49 /\n DATA MECH_SPC_SAPRC07( 40), MECH_MWT_SAPRC07( 40) / 'CH3I ', 141.94 /\n DATA MECH_SPC_SAPRC07( 41), MECH_MWT_SAPRC07( 41) / 'TRS ', 32.00 /\n DATA MECH_SPC_SAPRC07( 42), MECH_MWT_SAPRC07( 42) / 'NO ', 46.00 /\n DATA MECH_SPC_SAPRC07( 43), MECH_MWT_SAPRC07( 43) / 'NH3 ', 17.03 /\n DATA MECH_SPC_SAPRC07( 44), MECH_MWT_SAPRC07( 44) / 'N2O ', 44.01 /\n DATA MECH_SPC_SAPRC07( 45), MECH_MWT_SAPRC07( 45) / 'APIN ', 136.24 /\n DATA MECH_SPC_SAPRC07( 46), MECH_MWT_SAPRC07( 46) / 'HCHO_PRIMARY ', 30.03 /\n DATA MECH_SPC_SAPRC07( 47), MECH_MWT_SAPRC07( 47) / 'CCHO_PRIMARY ', 44.05 /\n" }, { "path": "CCTM/src/biog/megan3/SPC_SAPRC07T.EXT", "content": "C=======================================================================\nC SPC_SAPRC07T.EXT\nC This include file contains SAPRC07T species and their MW.\nC\nC\nC Mechanism Name: SAPRC07T\nC MEGAN v3\nC INPUT version x.x\nC\nC History:\nC Who When What\nC ---------------------------------------------------------------------\nC Ling Huang 06/13/17 - Created for MEGAN3\nC=======================================================================\n\n CHARACTER*16 SPC_SAPRC07TMECH\n PARAMETER (SPC_SAPRC07TMECH = 'SAPRC07T ')\n\n INTEGER N_SAPRC07T_SPC\n PARAMETER (N_SAPRC07T_SPC = 56)\n\n CHARACTER*16 MECH_SPC_SAPRC07T( N_SAPRC07T_SPC ) ! Mechanism species name\n REAL MECH_MWT_SAPRC07T( N_SAPRC07T_SPC ) ! Mechanism species molecular weight\n\n! Note conversion between 134 species and SAPRC07 is done by 1:1 mole\n\n\n DATA MECH_SPC_SAPRC07T( 1), MECH_MWT_SAPRC07T( 1) / 'CH4 ', 16.04 /\n DATA MECH_SPC_SAPRC07T( 2), MECH_MWT_SAPRC07T( 2) / 'ALK1 ', 30.07 /\n DATA MECH_SPC_SAPRC07T( 3), MECH_MWT_SAPRC07T( 3) / 'ALK2 ', 36.73 /\n DATA MECH_SPC_SAPRC07T( 4), MECH_MWT_SAPRC07T( 4) / 'ALK3 ', 58.61 /\n DATA MECH_SPC_SAPRC07T( 5), MECH_MWT_SAPRC07T( 5) / 'ALK4 ', 77.60 /\n DATA MECH_SPC_SAPRC07T( 6), MECH_MWT_SAPRC07T( 6) / 'ALK5 ', 118.89 /\n DATA MECH_SPC_SAPRC07T( 7), MECH_MWT_SAPRC07T( 7) / 'ETHENE ', 28.05 /\n DATA MECH_SPC_SAPRC07T( 8), MECH_MWT_SAPRC07T( 8) / 'OLE1 ', 72.34 /\n DATA MECH_SPC_SAPRC07T( 9), MECH_MWT_SAPRC07T( 9) / 'OLE2 ', 75.78 /\n DATA MECH_SPC_SAPRC07T( 10), MECH_MWT_SAPRC07T( 10) / 'ISOPRENE ', 68.12 /\n DATA MECH_SPC_SAPRC07T( 11), MECH_MWT_SAPRC07T( 11) / 'TERP ', 136.24 /\n DATA MECH_SPC_SAPRC07T( 12), MECH_MWT_SAPRC07T( 12) / 'BENZ ', 78.11 /\n DATA MECH_SPC_SAPRC07T( 13), MECH_MWT_SAPRC07T( 13) / 'ARO1 ', 95.16 /\n DATA MECH_SPC_SAPRC07T( 14), MECH_MWT_SAPRC07T( 14) / 'ARO2MN ', 118.72 /\n DATA MECH_SPC_SAPRC07T( 15), MECH_MWT_SAPRC07T( 15) / 'ACYE ', 26.04 /\n DATA MECH_SPC_SAPRC07T( 16), MECH_MWT_SAPRC07T( 16) / 'HCHO ', 30.03 /\n DATA MECH_SPC_SAPRC07T( 17), MECH_MWT_SAPRC07T( 17) / 'CCHO ', 44.05 /\n DATA MECH_SPC_SAPRC07T( 18), MECH_MWT_SAPRC07T( 18) / 'RCHO ', 58.08 /\n DATA MECH_SPC_SAPRC07T( 19), MECH_MWT_SAPRC07T( 19) / 'BALD ', 106.13 /\n DATA MECH_SPC_SAPRC07T( 20), MECH_MWT_SAPRC07T( 20) / 'ACETONE ', 58.08 /\n DATA MECH_SPC_SAPRC07T( 21), MECH_MWT_SAPRC07T( 21) / 'MEK ', 72.11 /\n DATA MECH_SPC_SAPRC07T( 22), MECH_MWT_SAPRC07T( 22) / 'PRD2 ', 116.16 /\n DATA MECH_SPC_SAPRC07T( 23), MECH_MWT_SAPRC07T( 23) / 'MEOH ', 32.04 /\n DATA MECH_SPC_SAPRC07T( 24), MECH_MWT_SAPRC07T( 24) / 'HCOOH ', 46.03 /\n DATA MECH_SPC_SAPRC07T( 25), MECH_MWT_SAPRC07T( 25) / 'CCOOH ', 60.05 /\n DATA MECH_SPC_SAPRC07T( 26), MECH_MWT_SAPRC07T( 26) / 'CCOOOH ', 74.08 /\n DATA MECH_SPC_SAPRC07T( 27), MECH_MWT_SAPRC07T( 27) / 'GLY ', 58.04 /\n DATA MECH_SPC_SAPRC07T( 28), MECH_MWT_SAPRC07T( 28) / 'MGLY ', 72.07 /\n DATA MECH_SPC_SAPRC07T( 29), MECH_MWT_SAPRC07T( 29) / 'BACL ', 86.09 /\n DATA MECH_SPC_SAPRC07T( 30), MECH_MWT_SAPRC07T( 30) / 'CRES ', 108.14 /\n DATA MECH_SPC_SAPRC07T( 31), MECH_MWT_SAPRC07T( 31) / 'MACR ', 70.09 /\n DATA MECH_SPC_SAPRC07T( 32), MECH_MWT_SAPRC07T( 32) / 'MVK ', 70.09 /\n DATA MECH_SPC_SAPRC07T( 33), MECH_MWT_SAPRC07T( 33) / 'IPRD ', 100.1 /\n DATA MECH_SPC_SAPRC07T( 34), MECH_MWT_SAPRC07T( 34) / 'RNO3 ', 147.18 /\n DATA MECH_SPC_SAPRC07T( 35), MECH_MWT_SAPRC07T( 35) / 'CO ', 28.01 /\n DATA MECH_SPC_SAPRC07T( 36), MECH_MWT_SAPRC07T( 36) / 'SESQ ', 204.36 /\n DATA MECH_SPC_SAPRC07T( 37), MECH_MWT_SAPRC07T( 37) / 'HCN ', 27.03 /\n DATA MECH_SPC_SAPRC07T( 38), MECH_MWT_SAPRC07T( 38) / 'CH3BR ', 94.94 /\n DATA MECH_SPC_SAPRC07T( 39), MECH_MWT_SAPRC07T( 39) / 'CH3CL ', 50.49 /\n DATA MECH_SPC_SAPRC07T( 40), MECH_MWT_SAPRC07T( 40) / 'CH3I ', 141.94 /\n DATA MECH_SPC_SAPRC07T( 41), MECH_MWT_SAPRC07T( 41) / 'TRS ', 32.00 /\n DATA MECH_SPC_SAPRC07T( 42), MECH_MWT_SAPRC07T( 42) / 'NO ', 46.00 /\n DATA MECH_SPC_SAPRC07T( 43), MECH_MWT_SAPRC07T( 43) / 'NH3 ', 17.03 /\n DATA MECH_SPC_SAPRC07T( 44), MECH_MWT_SAPRC07T( 44) / 'N2O ', 44.01 /\n DATA MECH_SPC_SAPRC07T( 45), MECH_MWT_SAPRC07T( 45) / 'APIN ', 136.24 /\n DATA MECH_SPC_SAPRC07T( 46), MECH_MWT_SAPRC07T( 46) / 'HCHO_PRIMARY ', 30.03 /\n DATA MECH_SPC_SAPRC07T( 47), MECH_MWT_SAPRC07T( 47) / 'CCHO_PRIMARY ', 44.05 /\n DATA MECH_SPC_SAPRC07T( 48), MECH_MWT_SAPRC07T( 48) / 'MXYL ', 70.09 / ! 1\n DATA MECH_SPC_SAPRC07T( 49), MECH_MWT_SAPRC07T( 49) / 'OXYL ', 70.09 / ! 2\n DATA MECH_SPC_SAPRC07T( 50), MECH_MWT_SAPRC07T( 50) / 'PXYL ', 70.09 / ! 3\n DATA MECH_SPC_SAPRC07T( 51), MECH_MWT_SAPRC07T( 51) / 'NAPHTHALENE ', 128.2 / ! 4 \n DATA MECH_SPC_SAPRC07T( 52), MECH_MWT_SAPRC07T( 52) / 'OCS ', 60.07 / ! 5\n DATA MECH_SPC_SAPRC07T( 53), MECH_MWT_SAPRC07T( 53) / 'TOLU ', 92.10 / ! 6\n DATA MECH_SPC_SAPRC07T( 54), MECH_MWT_SAPRC07T( 54) / 'PROPENE ', 42.10 / ! 7\n DATA MECH_SPC_SAPRC07T( 55), MECH_MWT_SAPRC07T( 55) / 'ETOH ', 46.07 / ! 8\n DATA MECH_SPC_SAPRC07T( 56), MECH_MWT_SAPRC07T( 56) / 'PYRYACID ', 70.09 / ! 9 only saprc07tic assigned to BALD in saprc07t\n \n" }, { "path": "CCTM/src/biog/megan3/megan_fx_mod.f90", "content": "!------------------------------------------------------------------------!\r\n! The Community Multiscale Air Quality (CMAQ) system software is in !\r\n! continuous development by various groups and is based on information !\r\n! from these groups: Federal Government employees, contractors working !\r\n! within a United States Government contract, and non-Federal sources !\r\n! including research institutions. These groups give the Government !\r\n! permission to use, prepare derivative works of, and distribute copies !\r\n! of their work in the CMAQ system to the public and to permit others !\r\n! to do so. The United States Environmental Protection Agency !\r\n! therefore grants similar permission to use the CMAQ system software, !\r\n! but users are requested to provide copies of derivative works or !\r\n! products designed to operate in the CMAQ system to the United States !\r\n! Government without restrictions as to use by others. Software !\r\n! that is used with the CMAQ system but distributed under the GNU !\r\n! General Public License or the GNU Lesser General Public License is !\r\n! subject to their copyright restrictions. !\r\n!------------------------------------------------------------------------!\r\nmodule megan_fx\r\n \r\n USE ASX_DATA_MOD, ONLY : Grid_Data\r\n USE HGRD_DEFN, ONLY: NCOLS,NROWS\r\n! Aggregated code from MEGAN3.0 by Francis S.Binkowski \r\n! with minor modifications where noted below.\r\n! Implemented for CMAQ 5.4 and proofed by Jeff Willison.\r\n\r\n IMPLICIT NONE\r\n \r\n REAL , PARAMETER :: CONVERTWM2TOUMOLM2S = 4.5 , &\r\n SOLARCONSTANT = 1367. , &\r\n WATERAIRRATIO = 18.016/28.97\r\n ! Ratio between water and air molecules\r\n \r\n! Canopy characteristics for MEGCAN canopy types\r\n INTEGER , PARAMETER :: NRTYP = 6 ! Number of canopy types\r\n INTEGER , PARAMETER :: NRCHA = 17 ! Number of canopy characteristics\r\n! 16 variables are assigned for each canopy type\r\n! 1 = canopy depth\r\n! 2 = leaf width\r\n! 3 = leaf length\r\n! 4 = canopy height\r\n! 5 = scattering coefficient for PPFD\r\n! 6 = scattering coefficient for near IR\r\n! 7 = reflection coefficient for diffuse PPFD\r\n! 8 = reflection coefficient for diffuse near IR\r\n! 9 = clustering coefficient (accounts for leaf clumping influence on mean\r\n! projected leaf area in the direction of the suns beam)\r\n! 10 = leaf IR emissivity\r\n! 11 = leaf stomata and cuticle factor: 1=hypostomatous, 2=amphistomatous,\r\n! 1.25=hypostomatous but with some transpiration through cuticle\r\n! 12 = daytime temperature lapse rate (K m-1)\r\n! 13 = nighttime temperature lapse rate (K m-1)\r\n! 14 = warm (>283K) canopy total humidity change (Pa)\r\n! 15 = cool (>= 283K) canopy total humidity change (Pa)\r\n! 16 = normalized canopy depth where wind is negligible\r\n! 17 = canopy transparency\r\n!\r\n! Six canopy types currently used in MEGCAN:\r\n! 1 = Needleleaf trees\r\n! 2 = Tropical forest trees,\r\n! 3 = Temperate broadleaf trees\r\n! 4 = shrubs\r\n! 5 = herbaceous\r\n! 6 = crops\r\n \r\n REAL , DIMENSION(NRCHA,NRTYP) :: Canopychar = reshape((/16.,16., &\r\n 16.,1.,0.5,1.,0.005,0.05,0.05, &\r\n 0.015,0.01,0.02,0.1,0.1,0.1,0.1, &\r\n 0.15,0.15,24.,24.,24.,2.,0.5,1.0,&\r\n 0.2,0.2,0.2,0.2,0.2,0.2,0.8,0.8, &\r\n 0.8,0.8,0.8,0.8,0.057,0.057, &\r\n 0.057,0.057,0.057,0.057,0.389, &\r\n 0.389,0.389,0.389,0.389,0.389, &\r\n 0.85,1.1,0.9,0.85,0.7,0.65,0.95, &\r\n 0.95,0.95,0.95,0.95,0.95,1.25, &\r\n 1.25,1.25,1.,1.25,1.25,0.06,0.06,&\r\n 0.06,0.06,0.06,0.06,-0.06,-0.06, &\r\n -0.06,-0.06,-0.06,-0.06,700., &\r\n 700.,700.,700.,700.,700.,150., &\r\n 150.,150.,150.,150.,150.,0.7,0.7,&\r\n 0.7,0.7,0.7,0.7,0.2,0.2,0.2,0.2, &\r\n 0.2,0.2/),SHAPE=(/NRCHA,NRTYP/), &\r\n ORDER=(/2,1/))\r\n \r\n! for Soil NOx \r\n! =======================================================================\r\n! MEGSEA.EXT\r\n! This include file contains wilting point information\r\n! for calculating soil moisture activity factor\r\n!\r\n! Created by Alex Guenther and Ling Huang in March 2017\r\n!=======================================================================\r\n\r\n! INTEGER, PARAMETER :: NrTyp = 6 ! Number of canopy types\r\n REAL, PARAMETER :: d1 = 0.04\r\n\r\n!-- WWLT is wilting point (M^3/M^3) (JN90)\r\n\r\n! REAL, PARAMETER :: WWLT(16) = (/ & \r\n! 0.068, 0.075, 0.114, 0.179, &\r\n! 0.155, 0.175, 0.218, 0.250, &\r\n! 0.219, 0.283, 0.286, 0.286, &\r\n! 0.286, 0.286, 0.286, 0.286 /) \r\n! REAL, PARAMETER :: WWLT(16) = (/ \r\n! 0.068, 0.075, 0.114, 0.179, & \r\n! 0.150, 0.155, 0.175, 0.218, &\r\n! 0.250, 0.219, 0.283, 0.286, &\r\n! 0.155, 0.286, 0.286, 0.175 /)\r\n!\r\n\r\n ! Based upon MEGVEA.EXT includes suggestions from CJC\r\n\r\n !=======================================================================\r\n ! MEGVEA.EXT\r\n ! This include file contains information required\r\n ! for running MEGEAV module for calculating emission activity responses\r\n\r\n ! Created by Alex Guenther and Ling Huang in Feb 2017\r\n !\r\n ! \r\n !=======================================================================\r\n\r\n\r\n\r\n !Number of emission classes\r\n INTEGER, PARAMETER :: NCLASS = 19\r\n INTEGER, PARAMETER :: NEMIS = NCLASS\r\n ! number of emission classes\r\n\r\n ! CO2 related emission activity factor parameters\r\n REAL,PARAMETER :: CO2 = 400.0\r\n REAL,PARAMETER :: ISmax = 1.344\r\n REAL,PARAMETER :: CO2h = 1.4614\r\n REAL,PARAMETER :: Cstar = 585.0\r\n\r\n ! PSTD\r\n REAL,PARAMETER :: PSTD = 200\r\n\r\n ! canopy depth emission response\r\n REAL,PARAMETER :: CCD1 = -0.2\r\n REAL,PARAMETER :: CCD2 = 1.3\r\n\r\n !Light and temperature emission activity response coefficients for each emission class\r\n !LDF: light dependent fraction\r\n REAL LDF(NCLASS)\r\n !CT1: temperature coefficient (emission type 1: light dependent)\r\n REAL CT1(NCLASS)\r\n !Cleo: temperature coefficient (emission type 1: light dependent)\r\n REAL Cleo(NCLASS)\r\n !beta: temperature coefficient (emission type 2: light independent)\r\n REAL beta(NCLASS)\r\n\r\n DATA beta(1),LDF(1),CT1(1),Cleo(1) / 0.13,1.0,95,2 /\r\n DATA beta(2),LDF(2),CT1(2),Cleo(2) / 0.13,1.0,95,2 /\r\n DATA beta(3),LDF(3),CT1(3),Cleo(3) / 0.10,0.6,80,1.83 /\r\n DATA beta(4),LDF(4),CT1(4),Cleo(4) / 0.10,0.9,80,1.83 /\r\n DATA beta(5),LDF(5),CT1(5),Cleo(5) / 0.10,0.2,80,1.83 /\r\n DATA beta(6),LDF(6),CT1(6),Cleo(6) / 0.10,0.4,80,1.83 /\r\n DATA beta(7),LDF(7),CT1(7),Cleo(7) / 0.10,0.1,80,1.83 /\r\n DATA beta(8),LDF(8),CT1(8),Cleo(8) / 0.10,0.0,80,1.83 /\r\n DATA beta(9),LDF(9),CT1(9),Cleo(9) / 0.17,0.5,130,2.37 /\r\n DATA beta(10),LDF(10),CT1(10),Cleo(10) / 0.17,0.4,130,2.37 /\r\n DATA beta(11),LDF(11),CT1(11),Cleo(11) / 0.08,0.8,60,1.6 /\r\n DATA beta(12),LDF(12),CT1(12),Cleo(12) / 0.10,0.2,80,1.83 /\r\n DATA beta(13),LDF(13),CT1(13),Cleo(13) / 0.13,0.8,95,2 /\r\n DATA beta(14),LDF(14),CT1(14),Cleo(14) / 0.13,0.8,95,2 /\r\n DATA beta(15),LDF(15),CT1(15),Cleo(15) / 0.10,0.2,80,1.83 /\r\n DATA beta(16),LDF(16),CT1(16),Cleo(16) / 0.10,0.2,80,1.83 /\r\n DATA beta(17),LDF(17),CT1(17),Cleo(17) / 0.10,0.8,80,1.83 /\r\n DATA beta(18),LDF(18),CT1(18),Cleo(18) / 0.10,0.1,80,1.83 /\r\n DATA beta(19),LDF(19),CT1(19),Cleo(19) / 0.08,1.0,60,1.6 /\r\n\r\n\r\n\r\n ! Parameters for leaf age algorithm for each emission activity classes\r\n REAL Anew(NCLASS)\r\n REAL Agro(NCLASS)\r\n REAL Amat(NCLASS)\r\n REAL Aold(NCLASS)\r\n\r\n DATA Anew( 1), Agro( 1), Amat( 1), Aold( 1) &\r\n / 0.05 , 0.6 , 1.0 , 0.9 /\r\n\r\n DATA Anew( 2), Agro( 2), Amat( 2), Aold( 2) &\r\n / 0.05 , 0.6 , 1.0 , 0.9 /\r\n\r\n DATA Anew( 3), Agro( 3), Amat( 3), Aold( 3) &\r\n / 2.0 , 1.8 , 1.0 , 1.05 /\r\n\r\n DATA Anew( 4), Agro( 4), Amat( 4), Aold( 4) &\r\n / 2.0 , 1.8 , 1.0 , 1.05 /\r\n\r\n DATA Anew( 5), Agro( 5), Amat( 5), Aold( 5) &\r\n / 2.0 , 1.8 , 1.0 , 1.05 /\r\n\r\n DATA Anew( 6), Agro( 6), Amat( 6), Aold( 6) &\r\n / 2.0 , 1.8 , 1.0 , 1.05 /\r\n\r\n DATA Anew( 7), Agro( 7), Amat( 7), Aold( 7) &\r\n / 2.0 , 1.8 , 1.0 , 1.05 /\r\n\r\n DATA Anew( 8), Agro( 8), Amat( 8), Aold( 8) &\r\n / 1.0 , 1.0 , 1.0 , 1.0 /\r\n\r\n DATA Anew( 9), Agro( 9), Amat( 9), Aold( 9) &\r\n / 0.4 , 0.6 , 1.0 , 0.95 /\r\n\r\n DATA Anew( 10), Agro( 10), Amat( 10), Aold( 10) &\r\n / 0.4 , 0.6 , 1.0 , 0.95 /\r\n\r\n DATA Anew( 11), Agro( 11), Amat( 11), Aold( 11) &\r\n / 3.5 , 3.0 , 1.0 , 1.2 /\r\n\r\n DATA Anew( 12), Agro( 12), Amat( 12), Aold( 12) &\r\n / 1.0 , 1.0 , 1.0 , 1.0 /\r\n\r\n DATA Anew( 13), Agro( 13), Amat( 13), Aold( 13) &\r\n / 1.0 , 1.0 , 1.0 , 1.0 /\r\n\r\n DATA Anew( 14), Agro( 14), Amat( 14), Aold( 14) &\r\n / 1.0 , 1.0 , 1.0 , 1.0 /\r\n\r\n DATA Anew( 15), Agro( 15), Amat( 15), Aold( 15) &\r\n / 1.0 , 1.0 , 1.0 , 1.0 /\r\n\r\n DATA Anew( 16), Agro( 16), Amat( 16), Aold( 16) &\r\n / 1.0 , 1.0 , 1.0 , 1.0 /\r\n\r\n DATA Anew( 17), Agro( 17), Amat( 17), Aold( 17) &\r\n / 1.0 , 1.0 , 1.0 , 1.0 /\r\n\r\n DATA Anew( 18), Agro( 18), Amat( 18), Aold( 18) &\r\n / 1.0 , 1.0 , 1.0 , 1.0 /\r\n\r\n DATA Anew( 19), Agro( 19), Amat( 19), Aold( 19) &\r\n / 1.0 , 1.0 , 1.0 , 1.0 /\r\n\r\n\r\n !stress emission activity response coefficients for each emission class\r\n !CAQ: coefficient for poor Air Quality stress\r\n REAL CAQ(NCLASS)\r\n !CHW: coefficient for high wind speed stress\r\n REAL CHW(NCLASS)\r\n !CHT: coefficient for high temperature stress\r\n REAL CHT(NCLASS)\r\n !CLT: coefficient for high temperature stress\r\n REAL CLT(NCLASS)\r\n\r\n\r\n\r\n DATA CAQ(1),CHW(1),CHT(1),CLT(1) / 1,1,1,1 /\r\n DATA CAQ(2),CHW(2),CHT(2),CLT(2) / 1,1,1,1 /\r\n DATA CAQ(3),CHW(3),CHT(3),CLT(3) / 1,5,1,1 /\r\n DATA CAQ(4),CHW(4),CHT(4),CLT(4) / 5,5,5,5 /\r\n DATA CAQ(5),CHW(5),CHT(5),CLT(5) / 1,5,1,1 /\r\n DATA CAQ(6),CHW(6),CHT(6),CLT(6) / 1,5,1,1 /\r\n DATA CAQ(7),CHW(7),CHT(7),CLT(7) / 1,5,1,1 /\r\n DATA CAQ(8),CHW(8),CHT(8),CLT(8) / 1,1,1,1 /\r\n DATA CAQ(9),CHW(9),CHT(9),CLT(9) / 5,5,5,5 /\r\n DATA CAQ(10),CHW(10),CHT(10),CLT(10) / 5,5,5,5 /\r\n DATA CAQ(11),CHW(11),CHT(11),CLT(11) / 1,1,1,1 /\r\n DATA CAQ(12),CHW(12),CHT(12),CLT(12) / 1,1,1,1 /\r\n DATA CAQ(13),CHW(13),CHT(13),CLT(13) / 1,1,1,1 /\r\n DATA CAQ(14),CHW(14),CHT(14),CLT(14) / 1,1,1,1 /\r\n DATA CAQ(15),CHW(15),CHT(15),CLT(15) / 1,1,1,1 /\r\n DATA CAQ(16),CHW(16),CHT(16),CLT(16) / 1,1,1,1 /\r\n DATA CAQ(17),CHW(17),CHT(17),CLT(17) / 5,5,5,5 /\r\n DATA CAQ(18),CHW(18),CHT(18),CLT(18) / 1,1,1,1 /\r\n DATA CAQ(19),CHW(19),CHT(19),CLT(19) / 1,1,1,1 /\r\n\r\n !TAQ: threshold for poor Air Quality stress (ppm-hours)\r\n REAL TAQ(NCLASS)\r\n !THW: threshold for high wind speed stress (m/s)\r\n REAL THW(NCLASS)\r\n !THT: threshold for high temperature stress (Celsius degree)\r\n REAL THT(NCLASS)\r\n !TLT: threshold for high temperature stress (Celsius degree)\r\n REAL TLT(NCLASS)\r\n\r\n DATA TAQ(1),THW(1),THT(1),TLT(1) / 20,12,40,10 /\r\n DATA TAQ(2),THW(2),THT(2),TLT(2) / 20,12,40,10 /\r\n DATA TAQ(3),THW(3),THT(3),TLT(3) / 20,12,40,10 /\r\n DATA TAQ(4),THW(4),THT(4),TLT(4) / 20,12,40,10 /\r\n DATA TAQ(5),THW(5),THT(5),TLT(5) / 20,12,40,10 /\r\n DATA TAQ(6),THW(6),THT(6),TLT(6) / 20,12,40,10 /\r\n DATA TAQ(7),THW(7),THT(7),TLT(7) / 20,12,40,10 /\r\n DATA TAQ(8),THW(8),THT(8),TLT(8) / 20,12,40,10 /\r\n DATA TAQ(9),THW(9),THT(9),TLT(9) / 20,12,40,10 /\r\n DATA TAQ(10),THW(10),THT(10),TLT(10) / 20,12,40,10 /\r\n DATA TAQ(11),THW(11),THT(11),TLT(11) / 20,12,40,10 /\r\n DATA TAQ(12),THW(12),THT(12),TLT(12) / 20,12,40,10 /\r\n DATA TAQ(13),THW(13),THT(13),TLT(13) / 20,12,40,10 /\r\n DATA TAQ(14),THW(14),THT(14),TLT(14) / 20,12,40,10 /\r\n DATA TAQ(15),THW(15),THT(15),TLT(15) / 20,12,40,10 /\r\n DATA TAQ(16),THW(16),THT(16),TLT(16) / 20,12,40,10 /\r\n DATA TAQ(17),THW(17),THT(17),TLT(17) / 20,12,40,10 /\r\n DATA TAQ(18),THW(18),THT(18),TLT(18) / 20,12,40,10 /\r\n DATA TAQ(19),THW(19),THT(19),TLT(19) / 20,12,40,10 /\r\n\r\n\r\n !stress emission activity delta thresholds for each emission class\r\n !DTAQ: delta threshold for poor Air Quality stress (ppm-hours)\r\n REAL DTAQ(NCLASS)\r\n !DTHW: delta threshold for high wind speed stress (m/s)\r\n REAL DTHW(NCLASS)\r\n !DTHT: delta threshold for high temperature stress (Celsius degree)\r\n REAL DTHT(NCLASS)\r\n !DTLT: delta threshold for low temperature stress (Celsius degree)\r\n REAL DTLT(NCLASS)\r\n\r\n DATA DTAQ(1),DTHW(1),DTHT(1),DTLT(1) / 30,8,8,8 /\r\n DATA DTAQ(2),DTHW(2),DTHT(2),DTLT(2) / 30,8,8,8 /\r\n DATA DTAQ(3),DTHW(3),DTHT(3),DTLT(3) / 30,8,8,8 /\r\n DATA DTAQ(4),DTHW(4),DTHT(4),DTLT(4) / 30,8,8,8 /\r\n DATA DTAQ(5),DTHW(5),DTHT(5),DTLT(5) / 30,8,8,8 /\r\n DATA DTAQ(6),DTHW(6),DTHT(6),DTLT(6) / 30,8,8,8 /\r\n DATA DTAQ(7),DTHW(7),DTHT(7),DTLT(7) / 30,8,8,8 /\r\n DATA DTAQ(8),DTHW(8),DTHT(8),DTLT(8) / 30,8,8,8 /\r\n DATA DTAQ(9),DTHW(9),DTHT(9),DTLT(9) / 30,8,8,8 /\r\n DATA DTAQ(10),DTHW(10),DTHT(10),DTLT(10) / 30,8,8,8 /\r\n DATA DTAQ(11),DTHW(11),DTHT(11),DTLT(11) / 30,8,8,8 /\r\n DATA DTAQ(12),DTHW(12),DTHT(12),DTLT(12) / 30,8,8,8 /\r\n DATA DTAQ(13),DTHW(13),DTHT(13),DTLT(13) / 30,8,8,8 /\r\n DATA DTAQ(14),DTHW(14),DTHT(14),DTLT(14) / 30,8,8,8 /\r\n DATA DTAQ(15),DTHW(15),DTHT(15),DTLT(15) / 30,8,8,8 /\r\n DATA DTAQ(16),DTHW(16),DTHT(16),DTLT(16) / 30,8,8,8 /\r\n DATA DTAQ(17),DTHW(17),DTHT(17),DTLT(17) / 30,8,8,8 /\r\n DATA DTAQ(18),DTHW(18),DTHT(18),DTLT(18) / 30,8,8,8 /\r\n DATA DTAQ(19),DTHW(19),DTHT(19),DTLT(19) / 30,8,8,8 /\r\n\r\n ! MEGAN species\r\n ! Based on Alex Guenther's \"Description Class.xlsx\" for MEGANv3\r\n\r\n! DATA MGN_SPC( 1) / 'ISOP '/ ! isoprene\r\n! DATA MGN_SPC( 2) / 'MBO '/ ! MBO\r\n! DATA MGN_SPC( 3) / 'MT_PINE '/ ! monoterpenes: pines (alpha and beta)\r\n! DATA MGN_SPC( 4) / 'MT_ACYC '/ ! monoterpenes: acyclic, 3 = (e.g., myrcene, ocimenes)\r\n! DATA MGN_SPC( 5) / 'MT_CAMP '/ ! monoterpenes: carene, camphene, others\r\n! DATA MGN_SPC( 6) / 'MT_SABI '/ ! monoterpenes: sabinene, limonene, terpinenes, others\r\n! DATA MGN_SPC( 7) / 'MT_AROM '/ ! C10 aromatic: cymenes, cymenenes & C8-C13 oxygenated (e.g., camphor)\r\n! DATA MGN_SPC( 8) / 'NO '/ ! Nitric oxide\r\n! DATA MGN_SPC( 9) / 'SQT_HR '/ ! Highly reactive SQT (e.g., caryophyllene)\r\n! DATA MGN_SPC( 10) / 'SQT_LR '/ ! less reactive SQT (e.g., longifolene, copaene) and salates\r\n! DATA MGN_SPC( 11) / 'MEOH '/ ! methanol\r\n! DATA MGN_SPC( 12) / 'ACTO '/ ! acetone\r\n! DATA MGN_SPC( 13) / 'ETOH '/ ! acetaldehyde and ethanol\r\n! DATA MGN_SPC( 14) / 'ACID '/ ! organic acids: formicacid, acetic acid, pyruvic acid\r\n! DATA MGN_SPC( 15) / 'LVOC '/ ! C2 to C4 HC (e.g.,ethene, ethane)\r\n! DATA MGN_SPC( 16) / 'OXPROD '/ ! oxidation products:aldehydes\r\n! DATA MGN_SPC( 17) / 'STRESS '/ ! Stress compounds(e.g., linalool)\r\n! DATA MGN_SPC( 18) / 'OTHER '/ ! other VOC (e.g.,indole, pentane, methyl bromide)\r\n! DATA MGN_SPC( 19) / 'CO '/ ! carbon monoxide\r\n\r\n\r\n\r\n\r\nCONTAINS !!-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-\r\n\r\n \r\n! ______________ SUBROUTINE get_CBETA_____________\r\n! This subroutine calculates the solar zenith angle , its sine and the eccentricity\r\n! INPUT variables:\r\n! JD current Julian Day.\r\n! LAT current latitude [deg]\r\n! HOUR current hour [ hr ] \r\n\r\n! OUTPUT variables:\r\n! BETA curent solar zenith angle\r\n! SINBETA Sine of zenith angle\r\n! ECCEBTRICITY orbital eccentricity (solar distance) [ AU ] \r\n! coded by Dr. Francis S.Binkowski on April 2, 2019, modified Abril 4, 2019\r\n! based upon earlier code and updated to latest algorithms from USNO\r\n\r\n! Reference:\r\n! The algorithm for the solar position are from \r\n! https://aa.usno.navy.mil/faq/docs/SunApprox.php\r\n! Us NAVAL OBSERVATORY The acuracy is good for two centuries \r\n! before and after 2000 CE. \r\n\r\n SUBROUTINE get_BETA( JD, LAT, HOUR, BETA, SINBETA, ECCENTRICITY )\r\n IMPLICIT NONE\r\n!*--CALCBETA575\r\n! INPUTS: \r\n REAL, INTENT(IN) :: JD ! True Julian day of interest\r\n REAL, INTENT(IN) :: LAT ! Latitude [ degrees ]\r\n REAL, INTENT(IN) :: HOUR ! local standard time\r\n \r\n! OUTPUT:\r\n REAL, INTENT(OUT) :: BETA ! the zenith angle of the sun at lat, hour in degrees\r\n REAL, INTENT(OUT) :: SINBETA ! sine of BETA\r\n REAL, INTENT(OUT) :: ECCENTRICITY ! orbital eccentricity \r\n ! earth distance from sun {AU}\r\n! LOCAL VARIBLES \r\n REAL :: sindelta , cosdelta , a , b , D, R, num, den, decl\r\n REAL :: sinepsilon, cosepsilon, sinlamda, coslamda, RA, EQT, hangle\r\n REAL :: g, q, L, lamda, epsilon, e, sing, singsq, sin2g, cosg, cos2g, latrad \r\n REAL, PARAMETER :: PI = 4.0 * ATAN(1.0), twopi = 2.0 * PI\r\n REAL, PARAMETER :: twopi_24 = twopi / 24.0 ! eliminates runtime division\r\n REAL, PARAMETER :: RAD2DEG = 180.0 / PI, DEG2RAD = 1.0 / RAD2DEG\r\n REAL, PARAMETER :: JD0 = 2451545.5 ! True Julian day for January 1, 2000\r\n REAL, PARAMETER :: ONE15 = 1.0 / 15.0 \r\n REAL, PARAMETER :: RADCONV = RAD2DEG * ONE15 \r\n\r\n \r\n!--------------------------------------------------------------------\r\n\r\n D = JD - JD0 \r\n \r\n g = 357.529 + 0.98560028 * D ! Mean anomaly of the Sun\r\n\r\n g = MODULO(g,360.0)\r\n IF ( g.LT.0.0 ) g = g + 360.0\r\n \r\n g = deg2RAD * g ! g in radians now\r\n\r\n! calculate trig functions of g using identities\r\n! this speeds up the calculations\r\n \r\n sing = SIN(g)\r\n singsq = sing * sing\r\n cosg = sqrt( 1 - singsq)\r\n sin2g = 2.0 * sing * cosg\r\n cos2g = cosg*cosg - sing*sing\r\n\r\n q = 280.459 + 0.98564736 * D ! Mean longitude of the Sun:\r\n\r\n! *** now force L to be betweeon 0.0 and 360. degrees\r\n q = MODULO( q,360.0)\r\n IF ( q.LT.0.0 ) q = q + 360.0\r\n\r\n lamda = q + 1.915 * sing + 0.020 * sin2g ! apparent longitude of the sun\r\n lamda = MODULO(lamda,360.0)\r\n IF ( lamda.LT.0.0 ) lamda = lamda + 360.0 \r\n \r\n! epsilon = 23.429 - 4.0E-7 * D ! obliquity of ecliptic\r\n epsilon = 23.439 - 3.6e-7 * D ! obliquity of ecliptic\r\n\r\n! convert to radian\r\n epsilon = DEG2RAD * epsilon\r\n lamda = DEG2RAD * lamda\r\n \r\n sinepsilon = SIN(epsilon) \r\n sinlamda = SIN(lamda)\r\n coslamda = SQRT( 1.0 - sinlamda *sinlamda )\r\n \r\n sindelta = sinepsilon * sinlamda ! sine of solar declination\r\n cosdelta = SQRT(1.0 - sindelta * sindelta) ! cosine of solar declination\r\n\r\n cosepsilon = SQRT( 1.0 - sinepsilon * sinepsilon ) \r\n \r\n! calculate Right Ascension of the sun\r\n\r\n num = cosepsilon * sinlamda\r\n den = coslamda\r\n RA = atan2(num,den)\r\n\r\n! Ignore EQT. It adds at most plus or minus 16 minutes over the year\r\n! hangle = (twopi * (HOUR-12.0) / 24.0 ) ! hour angle in radians\r\n! eliminate runtime division to save time\r\n hangle = (twopi_24 * (HOUR-12.0) ) ! hour angle in radians\r\n\r\n latrad = DEG2RAD * LAT\r\n\r\n \r\n a = SIN(latrad) * sindelta\r\n b = COS(Latrad) * cosdelta\r\n SINBETA = a + b * COS( hangle) \r\n \r\n BETA = ASIN(SINBETA) * RAD2DEG ! [ degrees]\r\n \r\n! calculate solar distance [ Astronomical Units ] This does\r\n! change over the seasons and more importantly over\r\n! annual and longer time scales because it is a function of\r\n! the Mean anomaly of the Sun.\r\n\r\n R = 1.00014 - 0.01671*cosg - 0.00014*cos2g \r\n ECCENTRICITY = R \r\n RETURN\r\n END SUBROUTINE get_BETA\r\n \r\n\r\n\r\n REAL FUNCTION getJD (YEAR,MONTH,DAY)\r\n!\r\n!---COMPUTES THE JULIAN DATE (JD) GIVEN A GREGORIAN CALENDAR\r\n! DATE (YEAR,MONTH,DAY).\r\n\r\n! REFERENCE:\r\n! Reda,Ibrahim, and Andreas Afshin, 2008, Solar position algorithm for solar\r\n! radiation applications, NREL/TP-550-34302, Revised January 2008l, National \r\n! Renewable Energy Laboratory, Golden CO. \r\n! Coded April 10, 2019 by Dr. Francis S. Binkowski \r\n \r\n REAL YEAR,MONTH,DAY,Y, M, D, A, B, JD\r\n!\r\n Y = YEAR\r\n M = MONTH\r\n D = DAY\r\n\r\n! The following is from Equation (4) on Page 3 of the reference.\r\n \r\n A = AINT( Y / 100.0)\r\n B = 2.0 -A +AINT(A/4) \r\n \r\n getJD = AINT( 365.25 *( Y + 4716.0 ) ) + AINT( 30.6001*( M + 1.0) ) + D &\r\n + B - 1524.5\r\n!\r\n RETURN\r\n END FUNCTION getJD \r\n\r\n\r\n\r\n\r\n\r\n!///////////////_______----------------------- \r\n! This SUBROUTINE converts a date on the Gregorian\r\n! calendar to a day of the year.\r\n! REFERENCE:\r\n\r\n! Original Programmer: David G. Simpson\r\n! NASA Goddard Space Flight Center\r\n! Greenbelt, Maryland 2077 Date: November 20, 2001\r\n\r\n\r\n! Modified April 13, 2019 by Dr Francis S. Binkowski to do only Gregorian years\r\n\r\n\r\n SUBROUTINE get_DOY( YEAR, MONTH, DAY, DOY)\r\n\r\n IMPLICIT NONE\r\n! INPUT: \r\n REAL, INTENT(IN) :: YEAR, MONTH, DAY ! GREGORIAN DATE \r\n\r\n! OUTPUT:\r\n INTEGER, INTENT(OUT) :: DOY ! DAY OF the YEAR\r\n \r\n! LOCAL:\r\n \r\n INTEGER :: Y ! year\r\n INTEGER :: M ! month (1-12)\r\n INTEGER :: D ! day of month \r\n INTEGER :: K\r\n \r\n \r\n LOGICAL :: LEAP\r\n\r\n! BEGIN CODE:\r\n \r\n Y = YEAR\r\n M = MONTH\r\n D = DAY\r\n \r\n LEAP = .FALSE.\r\n \r\n! TEST FOR LEAP YEARS\r\n \r\n IF ( MOD(Y,4) .EQ. 0) LEAP = .TRUE.\r\n IF ( MOD(Y,100) .EQ. 0) LEAP = .FALSE.\r\n IF (MOD(Y,400) .EQ. 0) LEAP = .TRUE.\r\n\r\n IF (LEAP) THEN\r\n K = 1\r\n ELSE\r\n K = 2\r\n END IF\r\n\r\n! CALCULATE DAY OF THE YEAR using INTEGER arithmetic\r\n\r\n DOY = ( ( 275 * M) / 9 ) - K * ( ( M + 9) / 12 ) + D - 30\r\n\r\n RETURN\r\n \r\n END SUBROUTINE get_DOY\r\n \r\n SUBROUTINE get_date(YEAR,DOY,MM,DD)\r\n \r\n!=============WHEN GIVEN A VALID YEAR, YYYY, AND DAY OF THE\r\n! YEAR, DDD, RETURNS THE MONTH, MM, AND DAY OF THE\r\n! MONTH, DD.\r\n\r\n! REference:\r\n! SEE ACM ALGORITHM 398, TABLELESS DATE CONVERSION, BY\r\n! {*filter*} STONE, CACM 13(10):621.ACM 1970; DOI:10.1145/355598.362779. 7. \r\n! Summary We have introduced a formalism which allows us to \r\n! explicate certain rather gross properties of language ...\r\n\r\n! Modified to f90 by Dr. Francis S. Binkowski on April 13, 2019\r\n\r\n! INPUT:\r\n REAL, INTENT(in) :: YEAR, DOY ! year and day of year \r\n \r\n! OUTPUT: \r\n INTEGER, INTENT(out) :: MM , DD\r\n\r\n! LOCAL: \r\n INTEGER :: T\r\n INTEGER :: YYYY , DDD\r\n\r\n! Start code \r\n\r\n YYYY = YEAR\r\n DDD = DOY \r\n T = 0\r\n \r\n IF( MOD(YYYY,4) .EQ. 0) T = 1 ! test for leap year\r\n \r\n!-----------THE FOLLOWING STATEMENT IS NECESSARY IF YYYY IS LESS TNAN\r\n! 1900 OR GREATER THAN 2100.\r\n\r\n IF( MOD(YYYY,400) .NE.0 .AND. MOD(YYYY,100) .EQ. 0 ) T = 0\r\n \r\n DD = DDD\r\n \r\n IF( DDD.GT. 59 + T ) DD = DD + 2 - T\r\n \r\n MM = ( (DD + 91 ) * 100 ) / 3055\r\n \r\n DD = ( DD + 91 ) - ( MM * 3055 ) / 100\r\n \r\n MM = MM - 2\r\n!----------MM WILL BE CORRECT IFF DDD IS CORRECT FOR YYYY.\r\n \r\n RETURN\r\n \r\n \r\n END SUBROUTINE get_date\r\n \r\n \r\n \r\n \r\n! These subroutines are from MEGCAN\r\n \r\n!ooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo\r\n!\r\n! SUBROUTINE GaussianDist\r\n!\r\n!ooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo\r\n \r\n SUBROUTINE GAUSSIANDIST(Distgauss,Layers)\r\n \r\n IMPLICIT NONE\r\n!*--GAUSSIANDIST91\r\n \r\n INTEGER , INTENT(IN) :: Layers\r\n \r\n REAL , DIMENSION(Layers) , INTENT(OUT) :: Distgauss\r\n \r\n! local variables\r\n INTEGER :: i\r\n!----------------------------------------------------------------\r\n \r\n IF ( Layers.EQ.1 ) THEN\r\n Distgauss(1) = 0.5\r\n ELSEIF ( Layers.EQ.3 ) THEN\r\n Distgauss(1) = 0.112702\r\n Distgauss(2) = 0.5\r\n Distgauss(3) = 0.887298\r\n ELSEIF ( Layers.EQ.5 ) THEN\r\n Distgauss(1) = 0.0469101\r\n Distgauss(2) = 0.2307534\r\n Distgauss(3) = 0.5\r\n Distgauss(4) = 0.7692465\r\n Distgauss(5) = 0.9530899\r\n ELSE\r\n DO i = 1 , Layers\r\n Distgauss(i) = (i-0.5)/Layers\r\n ENDDO\r\n ENDIF\r\n \r\n RETURN\r\n \r\n END SUBROUTINE GAUSSIANDIST\r\n \r\n \r\n!ooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo\r\n!\r\n! SUBROUTINE SolarFractions\r\n! Based on actual and potential max solar radiation:\r\n! Determine the fraction of solar radiation that is\r\n! diffuse PPFD, direct PPFD, diffuse near IR, direct near IR\r\n!\r\n! Originally developed by Alex Guenther in 1990s\r\n! Modified in 2010\r\n!ooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo\r\n \r\n SUBROUTINE SOLARFRACTIONS(Solar,Maxsolar,Qdiffv,Qbeamv,Qdiffn, &\r\n & Qbeamn)\r\n \r\n IMPLICIT NONE\r\n!*--SOLARFRACTIONS137\r\n \r\n REAL , INTENT(IN) :: Solar , Maxsolar\r\n REAL , INTENT(OUT) :: Qdiffv , Qbeamv , Qdiffn , Qbeamn\r\n REAL :: fracdiff , ppfdfrac , ppfddiffrac , qv , qn\r\n! internal variables\r\n REAL :: transmis\r\n!-----------------------------------------------------\r\n IF ( Maxsolar<=0 ) THEN\r\n transmis = 0.5\r\n ELSEIF ( Maxsolar1.0 ) ppfddiffrac = 1.0\r\n \r\n qv = ppfdfrac*Solar\r\n Qdiffv = qv*ppfddiffrac\r\n Qbeamv = qv - Qdiffv\r\n qn = Solar - qv\r\n Qdiffn = qn*fracdiff\r\n Qbeamn = qn - Qdiffn\r\n \r\n RETURN\r\n \r\n END SUBROUTINE SOLARFRACTIONS\r\n!ooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo!\r\n! Subroutine CanopyRad\r\n!\r\n! Canopy light environment model\r\n! Code originally developed by Alex Guenther in 1990s\r\n! Coded into FORTRAN by Xuemei Wang\r\n! based on Spitters et al. (1986), \r\n! Goudrian and van Laar (1994), Leuning (1997)\r\n! Initial code 8-99, \r\n! modified 7-2000, 12-2001, 1-2017\r\n!\r\n!ooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo\r\n\r\n SUBROUTINE CanopyRad(Distgauss, Layers, LAI, Sinbeta, &\r\n Qbeamv, Qdiffv, Qbeamn, Qdiffn, Cantype, &\r\n Canopychar, Sunfrac, QbAbsV, QdAbsV, QsAbsV, &\r\n QbAbsn, QdAbsn, QsAbsn, SunQv, &\r\n ShadeQv, SunQn, ShadeQn, SunPPFD, ShadePPFD, &\r\n NrCha, NrTyp)\r\n\r\n IMPLICIT NONE\r\n\r\n! input\r\n INTEGER,INTENT(IN) :: Layers, NrCha, NrTyp, Cantype\r\n REAL,INTENT(IN) :: Qbeamv,Qdiffv,Sinbeta,LAI,Qbeamn,Qdiffn\r\n REAL,DIMENSION(Layers),INTENT(IN) :: Distgauss\r\n\r\n! output\r\n REAL,INTENT(OUT) :: QbAbsV, QbAbsn\r\n\r\n REAL,DIMENSION(Layers),INTENT(OUT) :: ShadePPFD, SunPPFD, & \r\n QdAbsv, QsAbsv, QsAbsn, ShadeQv, SunQn, & \r\n QdAbsn, SunQv, ShadeQn, Sunfrac\r\n\r\n REAL,DIMENSION(NrCha,NrTyp), INTENT(IN) :: Canopychar\r\n\r\n! internal variables\r\n INTEGER :: i\r\n REAL :: ScatV, ScatN, RefldV, RefldN, ReflbV, ReflbN, & \r\n Kb, Kd, KbpV, KbpN, KdpV, KdpN, LAIdepth, Cluster,& \r\n QdAbsVL, QsAbsVL, QdAbsNL, QsAbsNL, CANTRAN, LAIadj\r\n\r\n! Stefan-boltzman constant W m-2 K-4\r\n REAL,PARAMETER :: Sb = 0.0000000567 \r\n REAL,PARAMETER :: ConvertShadePPFD = 4.6\r\n REAL,PARAMETER :: ConvertSunPPFD = 4.0\r\n!---------------------------------------------------------------------\r\n \r\n! adjust LAI for canopy transparency\r\n CANTRAN = Canopychar(17,Cantype)\r\n LAIadj = LAI / ( 1 - CANTRAN )\r\n\r\n IF (((Qbeamv + Qdiffv ) > 0.001) .AND. & \r\n (Sinbeta > 0.002) .AND. & \r\n (LAIadj > 0.001)) THEN ! Daytime\r\n\r\n! Scattering coefficients (scatV,scatN), diffuse and beam reflection \r\n! coefficients (ref..) for visible or near IR\r\n ScatV = Canopychar(5,Cantype)\r\n ScatN = Canopychar(6,Cantype)\r\n RefldV = Canopychar(7,Cantype)\r\n RefldN = Canopychar(8,Cantype)\r\n Cluster = Canopychar(9,Cantype)\r\n! print*,'cluster', Cluster\r\n! Extinction coefficients for black leaves for beam (kb) or diffuse (kd)\r\n Kb = Cluster * 0.5 / Sinbeta \r\n! (0.5 assumes a spherical leaf angle distribution (0.5 = cos (60 deg))\r\n Kd = 0.8 * Cluster \r\n! (0.8 assumes a spherical leaf angle distribution)\r\n\r\n Call CalcExtCoeff(Qbeamv,ScatV,Kb,Kd,ReflbV,KbpV,KdpV,QbAbsV)\r\n Call CalcExtCoeff(Qbeamn,ScatN,Kb,Kd,ReflbN,KbpN,KdpN,QbAbsn)\r\n\r\n DO i = 1,layers\r\n! LAI depth at this layer\r\n LAIdepth = LAIadj * Distgauss(i) \r\n!fraction of leaves that are sunlit\r\n Sunfrac(i) = EXP(-Kb * LAIdepth) \r\n\r\n Call CalcRadComponents(Qdiffv , Qbeamv , kdpV, &\r\n kbpV, kb, scatV, refldV, &\r\n reflbV, LAIdepth, QdAbsVL, QsAbsVL)\r\n\r\n Call CalcRadComponents(Qdiffn , Qbeamn , kdpN, &\r\n kbpN, kb, scatN, refldN, &\r\n reflbN, LAIdepth, QdAbsNL, QsAbsNL)\r\n\r\n ShadePPFD(i) = (QdAbsVL + QsAbsVL) * ConvertShadePPFD/(1 - scatV)\r\n SunPPFD(i) = ShadePPFD(i) + (QbAbsV* ConvertSunPPFD/(1 - scatV))\r\n QdAbsV(i) = QdAbsVL\r\n QsAbsV(i) = QsAbsVL\r\n QdAbsn(i) = QdAbsNL\r\n QsAbsn(i) = QsAbsNL\r\n ShadeQv(i) = QdAbsVL + QsAbsVL\r\n SunQv(i) = ShadeQv(i) + QbAbsV \r\n ShadeQn(i) = QdAbsNL + QsAbsNL\r\n SunQn(i) = ShadeQn(i) + QbAbsn \r\n ENDDO\r\n\r\n ELSE ! Night time\r\n\r\n QbAbsV = 0\r\n QbAbsn = 0\r\n\r\n Sunfrac(:) = 0.2\r\n SunQn(:) = 0\r\n ShadeQn(:) = 0\r\n SunQv(:) = 0\r\n ShadeQv(:) = 0\r\n SunPPFD(:) = 0\r\n ShadePPFD(:) = 0\r\n QdAbsV(:) = 0\r\n QsAbsV(:) = 0\r\n QdAbsn(:) = 0\r\n QsAbsn(:) = 0\r\n\r\n ENDIF\r\n \r\n RETURN\r\n END SUBROUTINE CanopyRad\r\n \r\n!ooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo\r\n!\r\n! Subroutine CalcExtCoeff\r\n! Calculate light extinction coefficients\r\n! Code originally developed by Alex Guenther in 1990s\r\n! Coded into FORTRAN by Xuemei Wang\r\n!\r\n!ooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo\r\n \r\n SUBROUTINE CALCEXTCOEFF(Qbeam,Scat,Kb,Kd,Reflb,Kbp,Kdp, &\r\n & Qbeamabsorb)\r\n \r\n IMPLICIT NONE\r\n!*--CALCEXTCOEFF308\r\n \r\n REAL , INTENT(IN) :: Qbeam , Scat , Kb , Kd\r\n REAL , INTENT(OUT) :: Reflb , Kbp , Kdp , Qbeamabsorb\r\n \r\n! local variables\r\n REAL :: p\r\n!-------------------------------------------------------------------\r\n \r\n p = (1-Scat)**0.5\r\n Reflb = 1 - EXP((-2*((1-p)/(1+p))*Kb)/(1+Kb))\r\n \r\n! Extinction coefficients\r\n Kbp = Kb*p\r\n Kdp = Kd*p\r\n! Absorbed beam radiation\r\n Qbeamabsorb = Kb*Qbeam*(1-Scat)\r\n\r\n RETURN\r\n \r\n END SUBROUTINE CALCEXTCOEFF\r\n \r\n!ooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo\r\n!\r\n! Subroutine CalcRadComponents\r\n! Code originally developed by Alex Guenther in 1990s\r\n! Coded into FORTRAN by Xuemei Wang\r\n!\r\n!ooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo\r\n \r\n SUBROUTINE CALCRADCOMPONENTS(Qdiff,Qbeam,Kdp,Kbp,Kb,Scat,Refld, &\r\n Reflb,Laidepth,Qdabs,Qsabs)\r\n \r\n IMPLICIT NONE\r\n!*--CALCRADCOMPONENTS340\r\n \r\n REAL , INTENT(IN) :: Qdiff , Qbeam , Kdp , Kbp , Kb , Scat , &\r\n Refld , Reflb , Laidepth\r\n REAL , INTENT(OUT) :: Qdabs , Qsabs\r\n!-------------------------------------------------------------------\r\n \r\n Qdabs = Qdiff*Kdp*(1-Refld)*EXP(-Kdp*Laidepth)\r\n Qsabs = Qbeam*((Kbp*(1-Reflb)*EXP(-Kbp*Laidepth)) &\r\n -(Kb*(1-Scat)*EXP(-Kb*Laidepth)))\r\n \r\n RETURN\r\n \r\n END SUBROUTINE CALCRADCOMPONENTS\r\n \r\n!ooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo\r\n!\r\n! Subroutine CanopyEB\r\n!\r\n! Canopy energy balance model for estimating leaf temperature\r\n! Coded into FORTRAN by Xuemei Wang\r\n! Code developed by Alex Guenther in 1990s\r\n! based on Goudrian and Laar (1994) and Leuning (1997)\r\n! Initial code 8-99, modified 7-2000 and 12-2001\r\n! Modified in 1-2017 by Alex Guenther and Ling Huang\r\n! to correct IR balance and atmos. emissivity\r\n! Note: i denotes an array containing a vertical profile\r\n! through the canopy with 0 (above canopy conditions)\r\n! plus 1 to number of canopy layers\r\n!ooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo\r\n \r\n SUBROUTINE CANOPYEB(Trate,Layers,Distgauss,Canopychar,Cantype, &\r\n Tairk,Humidairpa,Ws,Sunppfd,Shadeppfd,Sunqv, &\r\n Shadeqv,Sunqn,Shadeqn,Sunleaftk,Sunleafsh, &\r\n Sunleaflh,Sunleafir,Shadeleaftk,Shadeleafsh, &\r\n Shadeleaflh,Shadeleafir,Nrcha,Nrtyp,Ws0, &\r\n Tairk0,Humidairpa0)\r\n \r\n IMPLICIT NONE\r\n!*--CANOPYEB377\r\n \r\n! inputs\r\n INTEGER , INTENT(IN) :: Nrcha , Nrtyp , Layers , Cantype\r\n REAL , INTENT(IN) :: Trate , Tairk0 , Humidairpa0 , Ws0\r\n REAL , DIMENSION(Layers) , INTENT(IN) :: Distgauss , Sunqv , &\r\n Shadeqv , Sunqn , Shadeqn , &\r\n Sunppfd , Shadeppfd\r\n REAL , DIMENSION(Nrcha,Nrtyp) , INTENT(IN) :: Canopychar\r\n \r\n! outputs\r\n REAL , DIMENSION(Layers) , INTENT(OUT) :: Humidairpa , Ws , &\r\n Sunleaftk , Sunleafsh , &\r\n Sunleaflh , Sunleafir , Tairk , &\r\n Shadeleaftk , Shadeleafsh , &\r\n Shadeleaflh , Shadeleafir\r\n \r\n! local variables\r\n INTEGER :: i\r\n! & Deltah, UnexposedLeafIRin, ExposedLeafIRin, IRin,IRout\r\n REAL :: cdepth , lwidth , llength , cheight , eps , &\r\n transpiretype , deltah , emissatm , irin , irout\r\n REAL , DIMENSION(Layers) :: ldepth , wsh, wsh1\r\n!-----------------------------------------------------------------------\r\n \r\n cdepth = Canopychar(1,Cantype)\r\n lwidth = Canopychar(2,Cantype)\r\n llength = Canopychar(3,Cantype)\r\n cheight = Canopychar(4,Cantype)\r\n eps = Canopychar(10,Cantype)\r\n transpiretype = Canopychar(11,Cantype)\r\n \r\n IF ( Tairk0>288 ) THEN\r\n! Pa m-1 (humidity profile for T < 288)\r\n deltah = Canopychar(14,Cantype)/cheight\r\n ELSEIF ( Tairk0>278 ) THEN\r\n deltah = (Canopychar(14,Cantype)-((288-Tairk0)/10) &\r\n *(Canopychar(14,Cantype)-Canopychar(15,Cantype))) &\r\n /cheight\r\n ELSE\r\n! Pa m-1 (humidity profile for T <278)\r\n deltah = Canopychar(15,Cantype)/cheight\r\n ENDIF\r\n \r\n ldepth(:) = cdepth*Distgauss(:)\r\n Tairk(:) = Tairk0 + (Trate*ldepth(:)) ! check this\r\n Humidairpa(:) = Humidairpa0 + (deltah*ldepth(:))\r\n \r\n wsh(:) = (cheight-ldepth(:)) - (Canopychar(16,Cantype)*cheight)\r\n\r\n wsh1(:) = wsh(:)\r\n WHERE(wsh(:)<0.001)Wsh1(:) = 0.0009 ! to avoid undef for LOG(negative)\r\n\r\n Ws(:) = (Ws0*LOG(wsh1(:))/LOG(cheight-Canopychar(16,Cantype)* &\r\n & cheight))\r\n WHERE(wsh(:)<0.001)Ws(:) = 0.05\r\n \r\n DO i = 1 , Layers\r\n \r\n! REVISE - Replace UnexposedLeafIR with LeafIR\r\n \r\n! IRin = UnexposedLeafIRin(TairK(i), Eps)\r\n! ShadeleafIR(i) = 2 * IRin\r\n! SunleafIR(i) = 0.5*ExposedLeafIRin(HumidairPa0,TairK0)+1.5*IRin\r\n \r\n! Apparent atmospheric emissivity for clear skies:\r\n! function of water vapor pressure (Pa)\r\n! and ambient Temperature (K) based on Brutsaert(1975)\r\n! referenced in Leuning (1997)\r\n emissatm = 0.642*(Humidairpa(i)/Tairk(i))**(1./7.)\r\n irin = LEAFIR(Tairk(i),emissatm)\r\n Shadeleafir(i) = irin\r\n Sunleafir(i) = irin\r\n \r\n ! Sun\r\n CALL LEAFEB(Sunppfd(i),Sunqv(i)+Sunqn(i),Sunleafir(i),eps, &\r\n transpiretype,lwidth,llength,Tairk(i),Humidairpa(i)&\r\n ,Ws(i),Sunleaftk(i),Sunleafsh(i),Sunleaflh(i), &\r\n irout)\r\n \r\n Sunleafir(i) = Sunleafir(i) - irout\r\n \r\n ! Shade\r\n CALL LEAFEB(Shadeppfd(i),Shadeqv(i)+Shadeqn(i),Shadeleafir(i), &\r\n eps,transpiretype,lwidth,llength,Tairk(i), &\r\n Humidairpa(i),Ws(i),Shadeleaftk(i),Shadeleafsh(i), &\r\n Shadeleaflh(i),irout)\r\n \r\n Shadeleafir(i) = Shadeleafir(i) - irout\r\n ENDDO\r\n \r\n RETURN\r\n \r\n END SUBROUTINE CANOPYEB\r\n \r\n!ooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo\r\n!\r\n! Subroutine LeafEB\r\n!\r\n! Leaf energy balance\r\n! Code originally developed by Alex Guenther in 1990s\r\n! Coded into FORTRAN by Xuemei Wang\r\n!\r\n!ooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo\r\n \r\n SUBROUTINE LEAFEB(Ppfd,Q,Irin,Eps,Transpiretype,Lwidth,Llength, &\r\n Tairk,Humidairpa,Ws,Tleaf,Sh,Lh,Irout)\r\n \r\n IMPLICIT NONE\r\n!*--LEAFEB480\r\n \r\n REAL , INTENT(IN) :: Eps , Transpiretype , Lwidth , Llength , &\r\n Ppfd , Q , Irin , Tairk , Humidairpa , Ws\r\n REAL , INTENT(OUT) :: Irout , Tleaf , Sh , Lh\r\n \r\n! local variables\r\n \r\n INTEGER :: i\r\n! & LHairT,Tdelt,Balance,LeafBLC,LeafH,LeafLE,LeafIRout,\r\n REAL :: humidairkgm3 , ghforced , stomres , iroutairt , &\r\n lathv , ws1 , lhairt , tdelt , balance , gh1 , sh1 , lh1 , e1 , &\r\n irout1 , gh\r\n!----------------------------------------------------\r\n \r\n IF ( Ws<=0 ) THEN\r\n ws1 = 0.001\r\n ELSE\r\n ws1 = Ws\r\n ENDIF\r\n \r\n ! Air vapor density kg m-3\r\n humidairkgm3 = CONVERTHUMIDITYPA2KGM3(Humidairpa,Tairk)\r\n \r\n ! Heat convection coefficient (W m-2 K-1) for forced convection.\r\n ! Nobel page 366\r\n ghforced = 0.0259/(0.004*((Llength/Ws1)**0.5))\r\n \r\n ! Stomatal resistence s m-1\r\n stomres = RESSC(Ppfd)\r\n \r\n! REVISE - Replace LeafIRout with LeafIR\r\n! IRoutairT = LeafIROut(tairK, eps)\r\n! iroutairt = LEAFIR(Tairk+tdelt,Eps)\r\n IRoutairT = LeafIR(TairK, Eps)\r\n\r\n \r\n ! Latent heat of vaporization (J Kg-1)\r\n lathv = LHV(Tairk)\r\n \r\n ! Latent heat flux\r\n lhairt = LEAFLE(Tairk,humidairkgm3,lathv,ghforced,stomres, &\r\n Transpiretype)\r\n \r\n e1 = (Q+Irin-iroutairt-lhairt)\r\n IF ( e1.EQ.0. ) e1 = -1.\r\n \r\n tdelt = 1.\r\n balance = 10.\r\n DO i = 1 , 10\r\n IF ( ABS(balance)>2 ) THEN\r\n ! Boundary layer conductance\r\n gh1 = LEAFBLC(ghforced,tdelt,Llength)\r\n ! Convective heat flux\r\n sh1 = LEAFH(tdelt,gh1)\r\n ! Latent heat of vaporization (J Kg-1)\r\n lathv = LHV(Tairk+tdelt)\r\n Lh = LEAFLE(Tairk+tdelt,humidairkgm3,lathv,gh1,stomres, &\r\n Transpiretype)\r\n lh1 = Lh - lhairt\r\n \r\n! REVISE - Replace LeafIROut with LeafIR\r\n! IRout = LeafIROut(TairK + Tdelt, Eps)\r\n Irout = LEAFIR(Tairk+tdelt,Eps)\r\n irout1 = Irout - iroutairt\r\n tdelt = e1/((sh1+lh1+irout1)/tdelt)\r\n balance = Q + Irin - Irout - sh1 - Lh\r\n ENDIF\r\n ENDDO\r\n \r\n IF ( tdelt>10 ) tdelt = 10\r\n IF ( tdelt<-10 ) tdelt = -10\r\n \r\n Tleaf = Tairk + tdelt\r\n gh = LEAFBLC(ghforced,Tleaf-Tairk,Llength)\r\n Sh = LEAFH(Tleaf-Tairk,gh)\r\n Lh = LEAFLE(Tleaf,humidairkgm3,lathv,gh,stomres,Transpiretype)\r\n \r\n! REVISE - Replace LeafIROut with LeafIR\r\n! IRout = LeafIROut(Tleaf, Eps)\r\n Irout = LEAFIR(Tleaf,Eps)\r\n \r\n RETURN\r\n \r\n END SUBROUTINE LEAFEB\r\n \r\n!ooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo\r\n!\r\n! FUNCTION Calcbeta\r\n! Calculates the solar zenith angle\r\n! Code originally developed by Alex Guenther in 1990s\r\n! Coded into FORTRAN by Xuemei Wang\r\n!\r\n!ooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo\r\n \r\n FUNCTION CALCBETA(Day,Lat,Hour)\r\n \r\n IMPLICIT NONE\r\n!*--CALCBETA575\r\n \r\n REAL :: Day\r\n \r\n REAL :: Hour , Lat , sindelta , cosdelta , a , b , sinbeta , &\r\n CALCBETA\r\n REAL , PARAMETER :: PI = 3.14159 , RPI180 = 57.29578\r\n!--------------------------------------------------------------------\r\n !sindelta = -SIN(0.40907*COS(6.28*(Day+10)/(365)))\r\n sindelta = -SIN(0.40907)*COS(6.28*(Day+10)/(365))\r\n cosdelta = (1-sindelta**2.)**0.5\r\n \r\n a = SIN(Lat/RPI180)*sindelta\r\n b = COS(Lat/RPI180)*cosdelta\r\n sinbeta = a + b*COS(2*PI*(Hour-12)/24)\r\n CALCBETA = ASIN(sinbeta)*57.29578\r\n \r\n END FUNCTION CALCBETA\r\n \r\n! The following is the original code for eccentricity.\r\n \r\n!ooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo\r\n!\r\n! FUNCTION CalcEccentricity\r\n!\r\n!ooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo\r\n \r\n FUNCTION CALCECCENTRICITY(Day)\r\n \r\n IMPLICIT NONE\r\n!*--CALCECCENTRICITY605\r\n REAL :: Day\r\n REAL :: CALCECCENTRICITY\r\n!----------------------------------------------------------------\r\n \r\n CALCECCENTRICITY = 1 + 0.033*COS(2*3.14*(Day-10)/365)\r\n \r\n END FUNCTION CALCECCENTRICITY\r\n \r\n!ooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo\r\n!\r\n! FUNCTION WaterVapPres\r\n!\r\n! Convert water mixing ratio (kg/kg) to water vapor pressure\r\n! (Pa or Kpa depending on units of input )\r\n! Mixing ratio (kg/kg), temp (C), pressure (KPa)\r\n!\r\n!ooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo\r\n \r\n FUNCTION WATERVAPPRES(Dens,Pres,Waterairratio)\r\n \r\n IMPLICIT NONE\r\n!*--WATERVAPPRES627\r\n REAL :: Dens , Pres , WATERVAPPRES , Waterairratio\r\n!----------------------------------------------------------------\r\n \r\n WATERVAPPRES = (Dens/(Dens+Waterairratio))*Pres\r\n \r\n END FUNCTION WATERVAPPRES\r\n \r\n!ooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo\r\n!\r\n! FUNCTION Stability\r\n!\r\n!ooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo\r\n \r\n FUNCTION STABILITY(Canopychar,Cantype,Solar,Nrcha,Nrtyp)\r\n \r\n IMPLICIT NONE\r\n!*--STABILITY644\r\n INTEGER :: Cantype , Nrcha , Nrtyp\r\n REAL :: Solar , trateboundary , STABILITY\r\n REAL , DIMENSION(Nrcha,Nrtyp) :: Canopychar\r\n!----------------------------------------------------------------\r\n \r\n trateboundary = 500\r\n \r\n IF ( Solar>trateboundary ) THEN\r\n ! Daytime temperature lapse rate\r\n STABILITY = Canopychar(12,Cantype)\r\n ELSEIF ( Solar>0 ) THEN\r\n STABILITY = Canopychar(12,Cantype) &\r\n - ((trateboundary-Solar)/trateboundary) &\r\n *(Canopychar(12,Cantype)-Canopychar(13,Cantype))\r\n ELSE\r\n ! Nightime temperature lapse rate\r\n STABILITY = Canopychar(13,Cantype)\r\n ENDIF\r\n \r\n END FUNCTION STABILITY\r\n \r\n!ooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo\r\n!\r\n! FUNCTION ConvertHumidityPa2kgm3\r\n!\r\n! Saturation vapor density (kg/m3)\r\n!\r\n!ooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo\r\n \r\n FUNCTION CONVERTHUMIDITYPA2KGM3(Pa,Tk)\r\n \r\n IMPLICIT NONE\r\n!*--CONVERTHUMIDITYPA2KGM3677\r\n REAL :: CONVERTHUMIDITYPA2KGM3 , Pa , Tk\r\n!--------------------------------------------------------------------\r\n \r\n CONVERTHUMIDITYPA2KGM3 = 0.002165*Pa/Tk\r\n \r\n END FUNCTION CONVERTHUMIDITYPA2KGM3\r\n \r\n!ooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo\r\n!\r\n! FUNCTION ResSC\r\n!\r\n! Leaf stomatal cond. resistance s m-1\r\n!\r\n!ooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo\r\n \r\n FUNCTION RESSC(Par)\r\n \r\n IMPLICIT NONE\r\n!*--RESSC696\r\n REAL :: Par , scadj , RESSC\r\n!----------------------------------------------------------------\r\n \r\n scadj = ((0.0027*1.066*Par)/((1+0.0027*0.0027*Par**2.)**0.5))\r\n \r\n IF ( scadj<0.1 ) THEN\r\n RESSC = 2000.0\r\n ELSE\r\n RESSC = 200.0/scadj\r\n ENDIF\r\n \r\n END FUNCTION RESSC\r\n \r\n \r\n!ooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo\r\n!\r\n! FUNCTION LeafIR\r\n!\r\n! Calculate IR transfer between leaf and air\r\n! Added by Alex Guenther and Ling Huang to replace previous\r\n! MEGAN2.1 IR balance functions\r\n!ooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo\r\n \r\n FUNCTION LEAFIR(Tk,Eps)\r\n \r\n IMPLICIT NONE\r\n!*--LEAFIR723\r\n REAL :: Eps , Tk , LEAFIR\r\n! Stefan-boltzman constant W m-2 K-4\r\n REAL , PARAMETER :: SB = 0.0000000567\r\n!----------------------------------------------------------------\r\n \r\n LEAFIR = Eps*SB*(2*(Tk**4.))\r\n \r\n END FUNCTION LEAFIR\r\n \r\n \r\n!ooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo\r\n!\r\n! FUNCTION LHV\r\n!\r\n! Latent Heat of vaporization(J Kg-1) from Stull p641\r\n!\r\n!ooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo\r\n \r\n FUNCTION LHV(Tk)\r\n \r\n IMPLICIT NONE\r\n!*--LHV745\r\n REAL :: Tk , LHV\r\n!----------------------------------------------------------------\r\n \r\n! REVISE - Replace 273 with 273.15\r\n! LHV = 2501000 - (2370 * (Tk - 273))\r\n LHV = 2501000 - (2370*(Tk-273.15))\r\n \r\n END FUNCTION LHV\r\n \r\n!ooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo\r\n!\r\n! FUNCTION LeafLE\r\n!\r\n! Latent energy term in Energy balance\r\n!\r\n!ooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo\r\n \r\n FUNCTION LEAFLE(Tleaf,Ambvap,Lathv,Gh,Stomres,Transpiretype)\r\n \r\n IMPLICIT NONE\r\n!*--LEAFLE766\r\n REAL :: Tleaf , Ambvap , Lathv , Gh , Stomres , Transpiretype , &\r\n leafres , vapdeficit , LEAFLE , le\r\n!----------------------------------------------------------------\r\n \r\n leafres = (1/(1.075*(Gh/1231))) + Stomres\r\n vapdeficit = (SVDTK(Tleaf)-Ambvap)\r\n \r\n! Latent heat of vap (J Kg-1) * vap deficit(Kg m-3) /\r\n! leaf resistence (s m-1)\r\n le = Transpiretype*(1/leafres)*Lathv*vapdeficit\r\n IF ( le<0 ) THEN\r\n LEAFLE = 0\r\n ELSE\r\n LEAFLE = le\r\n ENDIF\r\n \r\n END FUNCTION LEAFLE\r\n \r\n!ooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo\r\n!\r\n! FUNCTION LeafBLC\r\n!\r\n! Boundary layer conductance\r\n!\r\n!ooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo\r\n \r\n FUNCTION LEAFBLC(Ghforced,Tdelta,Llength)\r\n \r\n IMPLICIT NONE\r\n!*--LEAFBLC796\r\n REAL :: Ghforced , Tdelta , Llength , ghfree , LEAFBLC\r\n!----------------------------------------------------------------\r\n \r\n! This is based on Leuning 1995 p.1198 except using molecular\r\n! conductivity (.00253 W m-1 K-1 Stull p 640) instead of molecular\r\n! diffusivity so that you end up with a heat convection coefficient\r\n! (W m-2 K-1) instead of a conductance for free convection\r\n \r\n IF ( Tdelta>=0 ) THEN\r\n ghfree = 0.5*0.00253*((160000000*Tdelta/(Llength**3.))**0.25) &\r\n /Llength\r\n ELSE\r\n ghfree = 0\r\n ENDIF\r\n LEAFBLC = Ghforced + ghfree\r\n \r\n END FUNCTION LEAFBLC\r\n \r\n!ooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo\r\n!\r\n! FUNCTION LeafH\r\n!\r\n! Convective energy term in Energy balance (W m-2 heat flux\r\n! from both sides of leaf)\r\n!\r\n!ooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo\r\n \r\n FUNCTION LEAFH(Tdelta,Gh)\r\n \r\n IMPLICIT NONE\r\n!*--LEAFH827\r\n REAL :: Tdelta , Gh , LEAFH\r\n!----------------------------------------------------------------\r\n \r\n! 2 sides X conductance X Temperature gradient\r\n LEAFH = 2.0 * Gh * Tdelta\r\n \r\n END FUNCTION LEAFH\r\n \r\n!ooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo\r\n!\r\n! FUNCTION SvdTk\r\n!\r\n! Saturation vapor density (kg/m3)\r\n!\r\n!ooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo\r\n \r\n FUNCTION SVDTK(Tk)\r\n \r\n IMPLICIT NONE\r\n!*--SVDTK847\r\n REAL :: Tk , svp , SVDTK\r\n!----------------------------------------------------------------\r\n \r\n! Saturation vapor pressure (millibars)\r\n svp = 10**((-2937.4/Tk)-(4.9283*LOG10(Tk))+23.5518)\r\n SVDTK = 0.2165*svp/Tk\r\n \r\n END FUNCTION SVDTK\r\n\r\n\r\n ! These subroutines were in file megvea.f\r\n\r\n !----------------------------------------------------------------\r\n !\r\n ! SUBROUTINE GAMMA_CD\r\n ! Emission response to canopy depath\r\n !----------------------------------------------------------------\r\n SUBROUTINE GAMMA_CD(NCOLS,NROWS,Layers,LAI,CDEA)\r\n\r\n IMPLICIT NONE\r\n ! input\r\n INTEGER,INTENT(IN) :: NCOLS,NROWS,Layers\r\n REAL,DIMENSION(NCOLS,NROWS),INTENT(IN) :: LAI\r\n ! output\r\n REAL,DIMENSION(NCOLS,NROWS,Layers),INTENT(OUT) :: CDEA\r\n\r\n ! local\r\n REAL,DIMENSION(Layers) :: Cdepth\r\n REAL :: LAIdepth\r\n INTEGER :: I,J,K\r\n\r\n IF ( Layers .EQ. 5 ) THEN\r\n Cdepth (1) = 0.0469101\r\n Cdepth (2) = 0.2307534\r\n Cdepth (3) = 0.5\r\n Cdepth (4) = 0.7692465\r\n Cdepth (5) = 0.9530899\r\n ELSE\r\n DO K = 1,Layers\r\n Cdepth(K) =(K - 0.5) /Layers\r\n END DO\r\n ENDIF\r\n\r\n DO K = 1, Layers\r\n DO J = 1, NROWS\r\n DO I = 1, NCOLS\r\n LAIdepth = MIN( LAI(I,J) * Cdepth(K), 3.0 )\r\n CDEA(I,J,K) = CCD1 * LAIdepth + CCD2\r\n END DO\r\n END DO\r\n END DO\r\n\r\n RETURN\r\n\r\n END SUBROUTINE GAMMA_CD\r\n !----------------------------------------------------------------\r\n\r\n !----------------------------------------------------------------\r\n !\r\n ! FUNCTION GAMTLD\r\n ! EA Temperature response (light dependent emission)\r\n !----------------------------------------------------------------\r\n FUNCTION GAMTLD(T1,T24,S)\r\n\r\n IMPLICIT NONE\r\n REAL,PARAMETER :: Ct2 = 230\r\n INTEGER :: S\r\n REAL :: T1,T24,T240,Topt, X, Eopt, GAMTLD\r\n\r\n T240 = T24\r\n\r\n IF (T1 < 260.0) THEN\r\n GAMTLD = 0.0\r\n ELSE\r\n ! Temperature at which maximum emission occurs\r\n Topt = 312.5 + 0.6 * (T240 - 297.0)\r\n X = ((1.0 / Topt) - (1.0 / T1)) / 0.00831\r\n ! Maximum emission (relative to emission at 30 C)\r\n Eopt = Cleo(S) * EXP(0.05 * (T24 - 297.0)) * &\r\n Exp(0.05*(T240-297.0))\r\n\r\n GAMTLD= Eopt * Ct2 * Exp(Ct1(S) * X) / &\r\n (Ct2 - Ct1(S) * (1.0 - EXP(Ct2 * X)))\r\n ENDIF\r\n\r\n END FUNCTION GAMTLD\r\n !----------------------------------------------------------------\r\n\r\n !----------------------------------------------------------------\r\n !\r\n ! FUNCTION GAMTLI\r\n ! EA Temperature response (light independent emission)\r\n !----------------------------------------------------------------\r\n\r\n\r\n FUNCTION GAMTLI(temp,S)\r\n\r\n IMPLICIT NONE\r\n\r\n REAL :: temp, GAMTLI\r\n REAL,PARAMETER :: Ts = 303.15\r\n INTEGER :: S\r\n\r\n GAMTLI = exp( beta(S)*(temp-Ts) )\r\n\r\n END FUNCTION GAMTLI\r\n !----------------------------------------------------------------\r\n\r\n\r\n !----------------------------------------------------------------\r\n !\r\n ! FUNCTION GAMP\r\n ! EA Light response\r\n !----------------------------------------------------------------\r\n\r\n FUNCTION GAMP(PPFD1,PPFD24)\r\n\r\n IMPLICIT NONE\r\n REAL :: PPFD1, PPFD24, Alpha, C1, GAMP\r\n\r\n IF (PPFD24 < 0.01) THEN\r\n GAMP= 0.0\r\n ELSE\r\n Alpha = 0.004\r\n ! C1 = 0.0468 * EXP(0.0005 * (PPFD24 - PSTD))\r\n ! & * (PPFD24 ** 0.6)\r\n C1 = 1.03\r\n ! GAMP= (Alpha * C1 * PPFD1) / ((1 + Alpha**2. * PPFD1**2.)**0.5)\r\n \r\n! use SQRT her for clarity and efficiency\r\n \r\n GAMP= (Alpha * C1 * PPFD1) / SQRT(1.0 + Alpha**2 * PPFD1**2)\r\n ENDIF\r\n\r\n END FUNCTION GAMP\r\n\r\n !----------------------------------------------------------------\r\n !\r\n ! SUBROUTINE GAMMA_HT\r\n ! EA response to high temperature\r\n !\r\n !----------------------------------------------------------------\r\n\r\n SUBROUTINE GAMMA_HT(NCOLS, NROWS, S, MaxT, GAMHT)\r\n\r\n IMPLICIT NONE\r\n ! input\r\n INTEGER,INTENT(IN) :: NCOLS, NROWS, S\r\n REAL,DIMENSION(NCOLS,NROWS),INTENT(IN) :: MaxT\r\n ! output\r\n REAL,DIMENSION(NCOLS,NROWS),INTENT(OUT) :: GAMHT\r\n ! local\r\n INTEGER :: I,J\r\n REAL :: THTK, t1\r\n\r\n DO J = 1,NROWS\r\n DO I = 1,NCOLS\r\n THTK = 273.15 + THT(S)\r\n t1 = THTK + DTHT(S)\r\n IF (MaxT(I,J) <= THTK) THEN\r\n GAMHT(I,J) = 1.0\r\n ELSE IF ( MaxT(I,J) < t1) THEN\r\n GAMHT(I,J) = 1.0 + (CHT(S) - 1.0)* (MaxT(I,J) - THTK)/DTHT(S)\r\n ELSE\r\n GAMHT(I,J) = CHT(S)\r\n ENDIF\r\n END DO\r\n END DO\r\n\r\n RETURN\r\n END SUBROUTINE GAMMA_HT\r\n !----------------------------------------------------------------\r\n\r\n !----------------------------------------------------------------\r\n !\r\n ! SUBROUTINE GAMMA_LT\r\n ! EA response to low temperature\r\n !\r\n !----------------------------------------------------------------\r\n\r\n SUBROUTINE GAMMA_LT(NCOLS, NROWS, S, MinT, GAMLT)\r\n\r\n IMPLICIT NONE\r\n ! input\r\n INTEGER,INTENT(IN) :: NCOLS, NROWS, S\r\n REAL,DIMENSION(NCOLS,NROWS),INTENT(IN) :: MinT\r\n ! output\r\n REAL,DIMENSION(NCOLS,NROWS),INTENT(OUT) :: GAMLT\r\n ! local\r\n INTEGER :: I,J\r\n REAL :: TLTK, t1\r\n\r\n DO J = 1,NROWS\r\n DO I = 1,NCOLS\r\n TLTK = 273.15 + TLT(S)\r\n t1 = TLTK - DTLT(S)\r\n IF (MinT(I,J) >= TLTK) THEN\r\n GAMLT(I,J) = 1.0\r\n ELSE IF ( MinT(I,J) > t1) THEN\r\n GAMLT(I,J) = 1.0 + (CLT(S) - 1.0)* (TLTK - MinT(I,J))/DTLT(S)\r\n ELSE\r\n GAMLT(I,J) = CLT(S)\r\n ENDIF\r\n END DO\r\n END DO\r\n\r\n RETURN\r\n END SUBROUTINE GAMMA_LT\r\n !----------------------------------------------------------------\r\n\r\n\r\n !----------------------------------------------------------------\r\n !\r\n ! SUBROUTINE GAMMA_HW\r\n ! EA response to high wind speed\r\n !\r\n !----------------------------------------------------------------\r\n\r\n SUBROUTINE GAMMA_HW(NCOLS, NROWS, S, MaxWS, GAMHW)\r\n\r\n IMPLICIT NONE\r\n ! input\r\n INTEGER,INTENT(IN) :: NCOLS, NROWS, S\r\n REAL,DIMENSION(NCOLS,NROWS),INTENT(IN) :: MaxWS\r\n ! output\r\n REAL,DIMENSION(NCOLS,NROWS),INTENT(OUT) :: GAMHW\r\n ! local\r\n INTEGER :: I,J\r\n REAL :: t1\r\n\r\n DO J = 1,NROWS\r\n DO I = 1,NCOLS\r\n t1 = THW(S) + DTHW(S)\r\n IF (MaxWS(I,J) <= THW(S)) THEN\r\n GAMHW(I,J) = 1.0\r\n ELSE IF ( MaxWS(I,J) < t1) THEN\r\n GAMHW(I,J) = 1.0 + (CHW(S) - 1.0)* (MaxWs(I,J) - THW(S))/ DTHW(S)\r\n ELSE\r\n GAMHW(I,J) = CHW(S)\r\n ENDIF\r\n END DO\r\n END DO\r\n\r\n RETURN\r\n END SUBROUTINE GAMMA_HW\r\n !----------------------------------------------------------------\r\n\r\n\r\n\r\n !----------------------------------------------------------------\r\n !\r\n ! SUBROUTINE GAMMA_AQ\r\n ! EA response to air quality\r\n !\r\n !----------------------------------------------------------------\r\n\r\n SUBROUTINE GAMMA_AQ(NCOLS, NROWS, S, AQI, GAMAQ)\r\n\r\n IMPLICIT NONE\r\n ! input\r\n INTEGER, INTENT(IN) :: NCOLS, NROWS, S\r\n REAL, DIMENSION(NCOLS,NROWS),INTENT(IN) :: AQI\r\n ! output\r\n REAL, DIMENSION(NCOLS,NROWS),INTENT(OUT) :: GAMAQ\r\n ! local\r\n INTEGER :: I,J\r\n REAL :: t1\r\n\r\n\r\n DO J = 1, NROWS\r\n DO I = 1, NCOLS\r\n t1 = TAQ(S) + DTAQ(S)\r\n IF (AQI(I,J) <= TAQ(S)) THEN\r\n GAMAQ(I,J) = 1.0\r\n ELSE IF ( AQI(I,J) < t1) THEN\r\n GAMAQ(I,J) = 1.0 + (CAQ(S) - 1.0)* (AQI(I,J) - TAQ(S))/DTAQ(S)\r\n ELSE\r\n GAMAQ(I,J) = CAQ(S)\r\n ENDIF\r\n END DO\r\n END DO\r\n\r\n RETURN\r\n END SUBROUTINE GAMMA_AQ\r\n !-----------------------------------------------------------------------\r\n\r\n !-----------------------------------------------------------------------\r\n !\r\n ! Subroutine GAMMA_CO2\r\n !-----------------------------------------------------------------------\r\n !From Alex Guenther 2017-03-11\r\n SUBROUTINE GAMMA_CO2( NCOLS, NROWS, GAMCO2 )\r\n\r\n IMPLICIT NONE\r\n\r\n INTEGER, INTENT(IN) :: NCOLS, NROWS\r\n REAL,DIMENSION(NCOLS,NROWS),INTENT(OUT) :: GAMCO2\r\n\r\n ! local\r\n REAL :: Ci, CO2temp, cxxx, cyyy\r\n INTEGER :: C, R\r\n\r\n CO2temp = CO2\r\n Ci = 0.7 * CO2\r\n\r\n IF ( CO2 .EQ. 400.0 ) THEN\r\n GAMCO2 = 1.0\r\n ELSE\r\n DO R = 1, NROWS\r\n DO C = 1, NCOLS\r\n! set common factors for pipeline \r\n \r\n cxxx = Ci**CO2h\r\n cyyy = Cstar**CO2h\r\n \r\n ! GAMCO2 = ISmax- ((ISmax * Ci**CO2h ) / (Cstar**CO2h + Ci **CO2h))\r\n GAMCO2(C,R) = ISmax- ((ISmax * cxxx) / (cyyy + cxxx))\r\n \r\n END DO\r\n END DO\r\n END IF\r\n\r\n RETURN\r\n\r\n END SUBROUTINE GAMMA_CO2\r\n\r\n !-----------------------------------------------------------------------\r\n\r\n\r\n !-----------------------------------------------------------------------\r\n !\r\n ! Subroutine GAMMA_LAIbidir(gam_LAIbidir,LAI)\r\n !-----------------------------------------------------------------------\r\n !From Alex Guenther 2010-01-26\r\n !If lai < 2 Then\r\n !gammaLAIbidir= 0.5 * lai\r\n !ElseIf lai <= 6 Then\r\n !gammaLAIbidir= 1 - 0.0625 * (lai - 2)\r\n !Else\r\n !gammaLAIbidir= 0.75\r\n !End If\r\n !\r\n ! SUBROUTINE GAMMA_LAIbidir returns the gam_LAIbidir values\r\n ! Xuemei Wang-2010-01-28\r\n !\r\n !-----------------------------------------------------------------------\r\n SUBROUTINE GAMMA_LAIbidir(NCOLS, NROWS,LAI,GAMBD)\r\n\r\n IMPLICIT NONE\r\n ! input\r\n INTEGER,INTENT(IN) :: NCOLS, NROWS\r\n REAL,DIMENSION(NCOLS, NROWS),INTENT(IN) :: LAI\r\n\r\n ! output\r\n REAL,DIMENSION(NCOLS, NROWS),INTENT(OUT) :: GAMBD\r\n\r\n ! local\r\n INTEGER :: I,J\r\n\r\n DO J = 1, NROWS\r\n DO I = 1, NCOLS\r\n\r\n IF(LAI(I,J) < 2) THEN\r\n GAMBD(I,J) = 0.5 * LAI(I,J)\r\n ELSEIF (LAI(I,J) .LE. 6 ) THEN\r\n GAMBD(I,J) = 1 - 0.0625 * (LAI(I,J) - 2)\r\n ELSE\r\n GAMBD(I,J) = 0.75\r\n ENDIF\r\n\r\n END DO\r\n END DO\r\n\r\n RETURN\r\n END SUBROUTINE GAMMA_LAIbidir\r\n !----------------------------------------------------------------\r\n\r\n\r\n !----------------------------------------------------------------\r\n !\r\n ! SUBROUTINE GAMLA\r\n !\r\n ! EA leaf age response\r\n !----------------------------------------------------------------\r\n !\r\n ! GAMLA = Fnew*Anew + Fgro*Agro + Fmat*Amat + Fold*Aold\r\n ! where Fnew = new foliage fraction\r\n ! Fgro = growing foliage fraction\r\n ! Fmat = mature foliage fraction\r\n ! Fold = old foliage fraction\r\n ! Anew = emission activity for new foliage\r\n ! Agro = emission activity for growing foliage\r\n ! Amat = emission activity for mature foliage\r\n ! Aold = emission activity for old foliage\r\n ! Age class fractions are determined from LAI changes\r\n ! LAIc = current LAI\r\n ! LAIp = past LAI\r\n ! t = length of the time step (days)\r\n ! ti = days between budbreak and emission induction\r\n ! tm = days between budbreak and peak emission\r\n ! Tt = average above canopy temperature (K)\r\n !\r\n !----------------------------------------------------------------\r\n\r\n SUBROUTINE GAMMA_A( NCOLS, NROWS, S, &\r\n LAIp, LAIc, D_TEMP, GAMLA )\r\n\r\n USE RUNTIME_VARS, ONLY: USE_MEGAN_LAI\r\n\r\n IMPLICIT NONE\r\n ! input\r\n INTEGER,INTENT(IN) :: NCOLS,NROWS, S\r\n REAL,DIMENSION(NCOLS,NROWS),INTENT(IN) :: D_TEMP, LAIp, LAIc\r\n ! output\r\n REAL,DIMENSION(NCOLS,NROWS),INTENT(OUT) :: GAMLA\r\n\r\n INTEGER :: C, R\r\n\r\n REAL :: Fnew, Fgro, Fmat, Fold\r\n REAL :: ti,tm\r\n REAL :: Tt\r\n\r\n REAL :: TSTLEN \r\n\r\n !Time step of LAI data\r\n if (USE_MEGAN_LAI) THEN\r\n TSTLEN = 8.0 ! 8 daily from MEGAN file\r\n else\r\n TSTLEN = 1.0 ! 1 Daily from soilout/metcro\r\n end if\r\n\r\n !---------------------------------------------------\r\n ! local parameter arrays\r\n \r\n DO R = 1, NROWS\r\n DO C = 1, NCOLS\r\n\r\n Tt = D_TEMP(C,R)\r\n\r\n !... Calculate foliage fraction\r\n\r\n IF (LAIp(C,R) .LT. LAIc(C,R)) THEN\r\n\r\n ! Calculate ti and tm\r\n IF (Tt .LE. 303.0) THEN\r\n ti = 5.0 + 0.7*(300-Tt)\r\n ELSE\r\n ti = 2.9\r\n END IF\r\n tm = 2.3*ti\r\n\r\n ! Calculate Fnew and Fmat, then Fgro and Fold\r\n ! Fnew\r\n IF (ti .GE. TSTLEN) THEN\r\n Fnew = 1.0 - (LAIp(C,R)/LAIc(C,R))\r\n ELSE\r\n Fnew = (ti/TSTLEN) * ( 1-(LAIp(C,R)/LAIc(C,R)) )\r\n END IF\r\n\r\n ! Fmat\r\n IF (tm .GE. TSTLEN) THEN\r\n Fmat = LAIp(C,R)/LAIc(C,R)\r\n ELSE\r\n Fmat = (LAIp(C,R)/LAIc(C,R)) + &\r\n ( (TSTLEN-tm)/TSTLEN ) * ( 1-(LAIp(C,R)/LAIc(C,R)) )\r\n END IF\r\n\r\n Fgro = 1.0 - Fnew - Fmat\r\n Fold = 0.0\r\n\r\n ELSE IF (LAIp(C,R) .EQ. LAIc(C,R)) THEN\r\n\r\n Fnew = 0.0\r\n Fgro = 0.1\r\n Fmat = 0.8\r\n Fold = 0.1\r\n\r\n ELSE IF (LAIp(C,R) .GT. LAIc(C,R)) THEN\r\n\r\n Fnew = 0.0\r\n Fgro = 0.0\r\n Fold = ( LAIp(C,R)-LAIc(C,R) ) / LAIp(C,R)\r\n Fmat = 1-Fold\r\n\r\n END IF\r\n\r\n !... Calculate GAMLA\r\n GAMLA(C,R) = Fnew*Anew(S) + Fgro*Agro(S) + Fmat*Amat(S) + Fold*Aold(S)\r\n \r\n END DO\r\n END DO\r\n\r\n RETURN\r\n END SUBROUTINE GAMMA_A\r\n\r\n! subroutines used by MEGSEA\r\n\r\n!=======================================================================\r\n!=======================================================================\r\n REAL FUNCTION FERTLZ_ADJ( DATE, LAT )\r\n\r\n!***********************************************************************\r\n! DESCRIPTION:\r\n! This internal function computes a fertilizer adjustment factor\r\n! for the given date in yyyyddd format. If it is not growing \r\n! season, the adjustment factor is 0; otherwise, it ranges from\r\n! 0.0 to 1.0.\r\n!\r\n! CALL:\r\n! GROWSEASON\r\n!\r\n! HISTORY:\r\n! 07/21/11 : Imported from SMOKE-BEIS v3.14 and modified (Tan)\r\n!***********************************************************************\r\n\r\n IMPLICIT NONE\r\n \r\n!.... Function arguments\r\n INTEGER, INTENT(IN) :: DATE\r\n REAL, INTENT(IN) :: LAT\r\n\r\n!.... Local variables\r\n INTEGER GDAY, GLEN\r\n\r\n CHARACTER(256) MESG ! message buffer\r\n!-----------------------------------------------------------------------------\r\n\r\n CALL GROWSEASON( DATE, LAT, GDAY, GLEN )\r\n FERTLZ_ADJ = 0. !INITIALIZE\r\n IF( GDAY == 0 ) THEN\r\n FERTLZ_ADJ = 0.\r\n ELSE IF( GDAY >= 1 .AND. GDAY < 30 ) THEN\r\n ! first month of growing season\r\n FERTLZ_ADJ = 1.\r\n ELSE IF( GDAY >= 30 .AND. GDAY <= 366) THEN\r\n ! later month of growing season\r\n FERTLZ_ADJ = 1. + 30. / FLOAT(GLEN) - FLOAT(GDAY) / FLOAT(GLEN)\r\n ENDIF\r\n\r\n!****************** FORMAT STATEMENTS ******************************\r\n94010 FORMAT( A, F10.2, 1X, A, I3, ',', I3 )\r\n\r\n\r\n RETURN\r\n\r\n END FUNCTION FERTLZ_ADJ\r\n!=======================================================================\r\n!=======================================================================\r\n\r\n\r\n!=======================================================================\r\n!=======================================================================\r\n REAL FUNCTION VEG_ADJ( LAI )\r\n\r\n!***********************************************************************\r\n! DESCRIPTION\r\n! This internal function computes a vegetation adjustment factor\r\n! based on LAIv. See Yienger and Levy 1995\r\n! VEG_ADJ = (EXP(-0.24*LAIv)+EXP(-0.0525*LAIv))*0.5 \r\n!\r\n! CALL\r\n! NONE\r\n!\r\n! HISTORY:\r\n!***********************************************************************\r\n\r\n IMPLICIT NONE\r\n \r\n!... Function arguments\r\n REAL, INTENT(IN) :: LAI\r\n\r\n!-----------------------------------------------------------------------------\r\n VEG_ADJ = 0.0\r\n VEG_ADJ = (EXP(-0.24*LAI)+EXP(-0.0525*LAI))*0.5 \r\n\r\n!****************** FORMAT STATEMENTS ******************************\r\n\r\n RETURN\r\n END FUNCTION VEG_ADJ\r\n!=======================================================================\r\n!=======================================================================\r\n \r\n\r\n\r\n!=======================================================================\r\n!=======================================================================\r\n\r\n!=======================================================================\r\n!=======================================================================\r\n SUBROUTINE GROWSEASON ( DATE, LAT, GDAY, GLEN )\r\n\r\n!***********************************************************************\r\n! DESCRIPTION\r\n! This internal function computes the day of the growing season\r\n! corresponding to the given date in yyyyddd format.\r\n!\r\n! CALL\r\n! G2J\r\n!\r\n! HISTORY:\r\n! 07/21/11 : Imported from SMOKE-BEIS v3.14 and modified (Tan)\r\n! Variation of growing season depends on latitude\r\n! (Guenther)\r\n! 04/22/2019 Converted to 90 format and redid error repotring\r\n! modified G2j to be completely internal. \r\n! DR. FRANCIS S. BINKOWSKI, IE, UNC-CHAPEL HILL\r\n!***********************************************************************\r\n\r\n IMPLICIT NONE\r\n\r\n!....... Function arguments\r\n INTEGER, INTENT(IN) :: DATE\r\n REAL, INTENT(IN) :: LAT\r\n INTEGER, INTENT(OUT) :: GDAY, GLEN \r\n!....... External functions\r\n\r\n!....... Local parameters\r\n INTEGER :: GSEASON_START\r\n INTEGER :: GSEASON_END\r\n\r\n!....... Local variables\r\n INTEGER YEAR, MONTH, DAY\r\n INTEGER JDAY\r\n INTEGER GSJULIAN_START\r\n INTEGER GSJULIAN_END\r\n!-----------------------------------------------------------------------------\r\n! NOTE: The use of \"julian Day\" to describe the day of tHE year is\r\n! technically incorrect. \r\n\r\n ! The Julian Day Number (JDN) is the integer assigned to a whole solar \r\n ! day in the Julian day count starting from noon Universal time, with \r\n ! Julian day number 0 assigned to the day starting at noon on Monday, \r\n ! January 1, 4713 BCE, proleptic Julian calendar (November 24, 4714 BCE, \r\n ! in the proleptic Gregorian calendar), a date at which three \r\n ! multi-year cycles started (which are: Indiction, Solar, and Lunar cycles)\r\n ! and which preceded any dates in recorded history. \r\n !\r\n ! For example for January 1st, 2000 CE at 00:00:00.0 UT1 the Julian Day \r\n ! is 2451544.500000 according to the U.S. Naval Observatory.\r\n\r\n\r\n\r\n YEAR = INT( FLOAT( DATE ) / 1000. )\r\n JDAY = DATE - YEAR * 1000\r\n\r\n IF ( LAT .LE. 23.0 .AND. LAT .GE. -23.0 ) THEN\r\n ! tropical regions, year round\r\n GSEASON_START = 0101\r\n GSEASON_END = 1231\r\n\r\n GSJULIAN_START = G2J(YEAR, GSEASON_START)\r\n GSJULIAN_END = G2J(YEAR, GSEASON_END)\r\n GDAY = JDAY - GSJULIAN_START + 1\r\n GLEN = GSJULIAN_END - GSJULIAN_START + 1\r\n ELSE IF ( LAT .LT. -23.0 ) THEN\r\n ! southern hemisphere\r\n IF ( LAT .LT. -60.0 ) THEN\r\n ! antarctic start = 0 end = 0, no growing\r\n GDAY = 0\r\n GLEN = 0\r\n ELSE\r\n ! southern hemisphere temperate, NOV, DEC, JAN-MAY\r\n IF (JDAY .GE. 1101 .AND. JDAY .LE. 1231 ) THEN\r\n GSEASON_START = 1101\r\n GSEASON_END = 1231\r\n\r\n GSJULIAN_START = G2J(YEAR, GSEASON_START)\r\n GSJULIAN_END = G2J(YEAR, GSEASON_END)\r\n GDAY = JDAY - GSJULIAN_START + 1\r\n ELSE IF (JDAY .GE. 0101 .AND. JDAY .LE. 0531) THEN\r\n GSEASON_START = 0101\r\n GSEASON_END = 0531\r\n\r\n GSJULIAN_START = G2J(YEAR, GSEASON_START)\r\n GSJULIAN_END = G2J(YEAR, GSEASON_END)\r\n GDAY = JDAY - GSJULIAN_START + 1 + 61\r\n ELSE\r\n GDAY = 0\r\n ENDIF\r\n GLEN = 30 + 31 + G2J(YEAR,0531) - G2J(YEAR,0101) + 1\r\n\r\n ENDIF\r\n ELSE IF ( LAT .GT. 23.0 ) THEN\r\n ! northern hemisphere\r\n IF ( LAT .GT. 65.0 ) THEN\r\n ! arctic start = 0 end = 0, no growing season\r\n GDAY = 0\r\n GLEN = 0\r\n ELSE\r\n ! northern hemisphere temperate\r\n ! start= (lat-23)*4.5 189\r\n ! end = 365 -((lat-23)*3.3) 226\r\n GSEASON_START = 0\r\n GSEASON_END = 1231\r\n\r\n GSJULIAN_START = 0\r\n GSJULIAN_END = G2J(YEAR, GSEASON_END)\r\n\r\n GSJULIAN_START = INT( (LAT-23.0) * 4.5 )\r\n GSJULIAN_END = GSJULIAN_END - INT( (LAT-23.0) * 3.3 )\r\n \r\n ! UNC added to avoid GDAY excede 366\r\n IF ( JDAY == 366 .AND. GSJULIAN_START==0 ) GSJULIAN_END = GSJULIAN_END - 1\r\n \r\n IF (JDAY .GE. GSJULIAN_START .AND. JDAY .LE. GSJULIAN_END) THEN\r\n GDAY = JDAY - GSJULIAN_START + 1\r\n ELSE\r\n GDAY = 0\r\n ENDIF\r\n GLEN = GSJULIAN_END - GSJULIAN_START + 1\r\n ENDIF\r\n ENDIF\r\n \r\n RETURN\r\n\r\n END SUBROUTINE GROWSEASON\r\n\r\n!=======================================================================\r\n!=======================================================================\r\n \r\n! This is a modified version of function G2J.\r\n\r\n \r\n INTEGER FUNCTION G2J( YYYY, MMDD )\r\n IMPLICIT NONE\r\n\r\n!....... Function arguments\r\n INTEGER, INTENT(IN) :: YYYY\r\n INTEGER, INTENT(IN) :: MMDD\r\n\r\n\r\n!....... Local parameters\r\n INTEGER :: MM\r\n INTEGER :: DD\r\n INTEGER :: K\r\n INTEGER :: DOY\r\n LOGICAL :: LEAP\r\n\r\n\r\n MM = INT( FLOAT( MMDD ) / 100.0 )\r\n DD = MMDD - MM * 100\r\n\r\n! use internal code to get G2j\r\n\r\n ! G2J = JULIAN( YYYY, MM , DD )\r\n\r\n! The following code is taken from NASA subroutine get_DOY \r\n! Original Programmer: David G. Simpson\r\n! NASA Goddard Space Flight Center\r\n! Greenbelt, Maryland 2077 Date: November 20, 2001\r\n! Modified April 13, 2019 by Dr Francis S. Binkowski to do only Gregorian years\r\n\r\n\r\n LEAP = .FALSE.\r\n \r\n! TEST FOR LEAP YEARS\r\n \r\n IF ( MOD(YYYY,4) .EQ. 0) LEAP = .TRUE.\r\n IF ( MOD(YYYY,100) .EQ. 0) LEAP = .FALSE.\r\n IF (MOD(YYYY,400) .EQ. 0) LEAP = .TRUE.\r\n\r\n IF (LEAP) THEN\r\n K = 1\r\n ELSE\r\n K = 2\r\n END IF\r\n\r\n! CALCULATE DAY OF THE YEAR\r\n\r\n DOY = ( ( 275 * MM) / 9 ) - K * ( ( MM + 9) / 12 ) + DD - 30\r\n \r\n G2J = DOY \r\n\r\n END FUNCTION G2J\r\n\r\n!=======================================================================\r\n\r\n\r\n\r\n SUBROUTINE SOILNOX( JDATE, JTIME, NX, NY, &\r\n TA, LSOIL, ISLTYP, SOILM, SOILT, &\r\n LAIc, LAT, &\r\n PRECADJ, &\r\n CFNO, CFNOG )\r\n\r\n!***********************************************************************\r\n! DESCRIPTION:\r\n! \r\n! Uses new NO algorithm NO = Normalized*Tadj*Padj*Fadj*Cadj\r\n! to estimate NO emissions \r\n! Information needed to estimate NO emissions\r\n! Julian Day (integer) JDATE\r\n! Surface Temperature (MCIP field) TA (K)\r\n! Soil Moisture (MCIP field) SOILM (M**3/M**3) (LSOIL)\r\n! (ratio of volume of water per volume of soil)\r\n! Soil Temperature (MCIP field) SOILT (K) (LSOIL)\r\n! Soil Type (MCIP field) ISLTYP (LSOIL)\r\n!\r\n! saturation values for soil types (constants) (LSOIL)\r\n! FOR PX Version, the Temperature adjustment factor accounts for wet and dry soils\r\n! and the precipitation adjustment factor accounts for saturated soils\r\n! FOR the non-PX version, the basic algorithm remains with a temperature adjustment factor (dry soil)\r\n! and no adjustment for saturated soils\r\n!\r\n!\r\n! The following arrays are updated after each call to SOILNOX\r\n! PULTYPE type of NO emission pulse \r\n! PULSEDATE julian date for the beginning of an NO pulse \r\n! PULSETIME time for the beginning of an NO pulse\r\n! \r\n! The calculation are based on the following paper by J.J. Yienger and H. Levy II\r\n! J.J. Yienger and H. Levy II, Journal of Geophysical Research, vol 100,11447-11464,1995\r\n!\r\n! The Temperature Adjustment Factor is based on section 4.2 for wet and dry soils with\r\n! the following modification (PX version):\r\n! Instead of classifying soils as either 'wet' or 'dry', the wet and dry adjustment is \r\n! calculated at each grid cell. A linear interpolation between the wet and dry adjustment\r\n! factor is made using the relative amount of soil moisture in the top layer (1cm)\r\n! as the interpolating factor. The relative amount of soil moisture is determined by\r\n! taking the MCIP soil moisture field and dividing by the saturation value defined for each\r\n! soil type in the PX version of MCIP\r\n! the soil temperature is used in PX version\r\n!\r\n! The Precipation Adjustment factor is based on section 4.1 with the following modifications.\r\n! The rainrate is computed from the MCIP directly using a 24 hr daily total. \r\n! THe types of Pulses as described in YL95 were used to estimate the NO emission\r\n! rate. \r\n!\r\n! Also see the following paper for more information:\r\n! Proceedings of the Air and Waste Management Association/U.S. Environmental Protection\r\n! Agency EMission Inventory Conference, Raleigh October 26-28, 1999 Raleigh NC\r\n! by Tom Pierce and Lucille Bender \r\n!\r\n! REFERENCES\r\n!\r\n! JACQUEMIN B. AND NOILHAN J. (1990), BOUND.-LAYER METEOROL., 52, 93-134.\r\n! J.J. Yienger and H. Levy II, Journal of Geophysical Research, vol 100,11447-11464,1995\r\n! T. Pierce and L. Bender, Examining the Temporal Variability of Ammonia and Nitric Oxide Emissions from Agricultural Processes\r\n! Proceedings of the Air and Waste Management Association/U.S. Environmental Protection\r\n! Agency EMission Inventory Conference, Raleigh October 26-28, 1999 Raleigh NC\r\n!\r\n! PRECONDITIONS REQUIRED:\r\n! Normalized NO emissions, Surface Temperature, Soil Moisture, Soil type,\r\n! NO emission pulse type, soil moisture from previous time step, julian date\r\n! of NO emission pulse start, time of NO emission pulse start,\r\n! soil type, SOIL TYPES, Land use data\r\n!\r\n! SUBROUTINES AND FUNCTIONS CALLED (directly or indirectly):\r\n! FERTILIZER_ADJ computes fertlizer adjustment factor\r\n! VEG_ADJ computes vegatation adjustment factor\r\n! GROWSEASON computes day of growing season\r\n! \r\n! REVISION HISTORY:\r\n! 10/01 : Prototype by GAP\r\n! 10/03 : modified transition to non growing season for jul-oct of the year\r\n! 08/04 : Converted to SMOKE code style by C. Seppanen\r\n! 07/21/11 : Imported form SMOKE-BEIS v3.14 for MEGAN v2.10\r\n! MAY 13, 2019 made inot f90 format and improved efficiency - \r\n! \r\n!***********************************************************************\r\n\r\n! USE SOILNOX_FX\r\n\r\n IMPLICIT NONE\r\n \r\n\r\n!......... ARGUMENTS and their descriptions\r\n INTEGER, INTENT (IN) :: JDATE ! current simulation date (YYYYDDD)\r\n INTEGER, INTENT (IN) :: JTIME ! current simulation time (HHMMSS)\r\n INTEGER, INTENT (IN) :: NX ! no. columns\r\n INTEGER, INTENT (IN) :: NY ! no. rows\r\n\r\n REAL, INTENT (IN) :: TA ( NX, NY ) ! air temperature (K)\r\n REAL, INTENT (IN) :: SOILM ( NX, NY ) ! soil moisture (m3/m3)\r\n REAL, INTENT (IN) :: SOILT ( NX, NY ) ! soil temperature (K)\r\n REAL, INTENT (IN) :: PRECADJ ( NX, NY ) ! precip adjustment\r\n REAL, INTENT (IN) :: LAIc ( NX, NY ) ! soil temperature (K)\r\n REAL, INTENT (IN) :: LAT ( NX, NY ) ! Latitude\r\n REAL, INTENT (IN OUT) :: CFNO ( NX, NY ) ! NO correction factor\r\n REAL, INTENT (IN OUT) :: CFNOG ( NX, NY ) ! NO correction factor for grass\r\n \r\n INTEGER, INTENT (IN) :: ISLTYP ( NX, NY ) ! soil type\r\n\r\n LOGICAL, INTENT (IN) :: LSOIL ! true: using PX version of MCIP\r\n \r\n!......... Local ARRAYS\r\n! Saturation values for 11 soil types from pxpbl.F (MCIP PX version)\r\n! PLEIM-XIU LAND-SURFACE AND PBL MODEL (PX-LSM)\r\n! See JACQUEMIN B. AND NOILHAN J. (1990), BOUND.-LAYER METEOROL., 52, 93-134.\r\n INTEGER, PARAMETER :: MAXSTYPES = 16\r\n! REAL, PARAMETER :: SATURATION( MAXSTYPES ) = (/ & \r\n! 0.395, 0.410, 0.435, 0.485, &\r\n! 0.451, 0.420, 0.477, 0.476, &\r\n! 0.426, 0.482, 0.482 /) \r\n\r\n!......... SCRATCH LOCAL VARIABLES and their descriptions:\r\n INTEGER :: R, C, L ! counters\r\n INTEGER :: SOILCAT ! soil category\r\n \r\n REAL :: CF ! NO correction factor\r\n REAL :: CFG ! NO correction factor for grasslands\r\n REAL :: TAIR ! surface temperature\r\n REAL :: TSOI ! soil temperature\r\n REAL :: CFNOWET, CFNODRY, RATIO, FAC1, FAC2 \r\n REAL, PARAMETER :: const1 = (1. / 3.0 ) * (1.0 / 30.0)\r\n REAL, PARAMETER :: const2 =EXP(-0.103 * 30.0)\r\n CHARACTER(256) MESG ! message buffer\r\n \r\n CHARACTER(16) :: PROGNAME = 'SOILNOX' ! program name\r\n\r\n!***********************************************************************\r\n\r\n \r\n!..... Loop through cells\r\n DO R = 1, NY\r\n DO C = 1, NX\r\n\r\n TAIR = TA( C, R ) ! unit in degree K\r\n\r\n!....... Check max bounds for temperature\r\n\r\n IF (TAIR > 315.0 ) THEN\r\n TAIR = 315.0\r\n END IF\r\n\r\n!....... CFNOG\r\n IF( TAIR > 303.00 ) TAIR = 303.00\r\n\r\n IF ( TAIR > 268.8690 ) THEN \r\n CFG = EXP( 0.04686 * TAIR - 14.30579 ) ! grass (from BEIS2)\r\n ELSE\r\n CFG = 0.0\r\n END IF\r\n\r\n CFNOG(C,R) = CFG\r\n \r\n! pre calculate common factors\r\n\r\n\r\n FAC2 = const2\r\n\r\n!....... CFNO\r\n IF( .NOT. LSOIL ) THEN\r\n ! no soil\r\n\r\n TSOI = 0.72 * TAIR + 82.28\r\n IF (TSOI <= 273.16) TSOI = 273.16\r\n IF (TSOI >= 303.16) TSOI = 303.16\r\n \r\n FAC1 = (TSOI- 273.16)\r\n\r\n \r\n \r\n! CFNODRY = (1./3.) * (1./30.) * (TSOI-273.16) ! see YL 1995 Equa 9a p. 11452 \r\n CFNODRY = const1 * FAC1 ! see YL 1995 Equa 9a p. 11452\r\n \r\n IF (TSOI <= 283.16) THEN ! linear cold case\r\n! CFNOWET = (TSOI-273.16)*EXP(-0.103*30.0)*0.28 ! see YL 1995 Equ 7b\r\n CFNOWET = FAC1 * FAC2 * 0.28 ! see YL 1995 Equ 7b\r\n \r\n ELSE ! exponential case\r\n! CFNOWET = EXP(0.103 * (TSOI-273.16)) * EXP(-0.103 * 30.0)\r\n CFNOWET = EXP(0.103 * FAC1) * FAC2\r\n END IF\r\n CF = 0.5 * CFNOWET + 0.5 * CFNODRY\r\n\r\n ELSE\r\n ! soil\r\n\r\n TSOI = SOILT( C,R )\r\n IF (TSOI <= 273.16) TSOI = 273.16\r\n IF (TSOI >= 303.16) TSOI = 303.16\r\n\r\n FAC1 = (TSOI- 273.16)\r\n\r\n! CFNODRY = (1./3.)*(1./30.)*(TSOI-273.16) ! see YL 1995 Equa 9a p. 11452\r\n CFNODRY = const1 * FAC1 ! see YL 1995 Equa 9a p. 11452\r\n \r\n IF (TSOI <= 283.16) THEN ! linear cold case\r\n! CFNOWET = (TSOI-273.16)*EXP(-0.103*30.0)*0.28 ! see YL 1995 Equ 7b\r\n CFNOWET = FAC1 * FAC2 * 0.28 ! see YL 1995 Equ 7b\r\n \r\n ELSE ! exponential case\r\n! CFNOWET = EXP(0.103 * (TSOI-273.16)) * EXP(-0.103 * 30.0)\r\n CFNOWET = EXP(0.103 * FAC1 ) * FAC2\r\n \r\n END IF\r\n\r\n SOILCAT = INT( ISLTYP( C,R ) )\r\n IF( SOILCAT > 0 .AND. SOILCAT <= MAXSTYPES ) THEN\r\n IF(Grid_Data%WSAT(C,R) .eq. 0) THEN\r\n ! first ldesid diag call. Do nothing.\r\n CF = 0. \r\n ELSE \r\n RATIO = SOILM( C,R ) / Grid_Data%WSAT( C,R )\r\n CF = RATIO*CFNOWET + (1.0 - RATIO ) * CFNODRY\r\n END IF\r\n ELSE\r\n \r\n CF = 0.0\r\n \r\n END IF\r\n\r\n END IF ! Endif LSOIL\r\n\r\n\r\n! CFNO(C,R) = CF * &\r\n! FERTLZ_ADJ( JDATE, LAT(C,R) ) * &\r\n! VEG_ADJ( LAIc(C,R) ) * PRECADJ(C,R)\r\n\r\n CFNO(C,R) = CF * &\r\n FERTLZ_ADJ( JDATE, LAT(C,R) ) * &\r\n VEG_ADJ( LAIc(C,R) ) * PRECADJ(C,R)\r\n\r\n if(cfno(c,r) .lt. 0) then\r\n cfno(c,r) = 0\r\n end if\r\n\r\n END DO ! loop over columns\r\n END DO ! loop over rows\r\n\r\n RETURN\r\n\r\n END SUBROUTINE SOILNOX\r\n \r\n! /////////////////////////////////////////////////////////////////////////// \r\n \r\n SUBROUTINE MEGCANOPY( YEAR, LAYERS, DOY, ZTIME, &\r\n LAT, LONG, LAIc, TEMP, PAR, WIND, PRES, QV, CTF, &\r\n ShadeleafTK, SunleafTK, SunFrac, SunPPFD, ShadePPFD ) !\r\n\r\n! ----------------------------------------------------------------------------\r\n! START subroutine MEGCANOPY\r\n! Coded March 19, 2019 by Dr. Francis S. Binkowski\r\n! modifies 05/07/2019 by to correct loop order\r\n! Institue for the Environment UNC, Chapel Hill\r\n\r\n! Based upon \tPROGRAM MEGCAN\r\n\r\n! Based on code initiated by Alex Guenther in 1990s\r\n! Coded in FORTRAN by Xuemei Wang--Nov. 2007\r\n! Revised by Alex Guenther and Ling Huang in Feb 2017\r\n! to correct, modify, and update the code and make it\r\n! a stand-alone program\r\n!\r\n!*****************************************************************\r\n!\r\n!*****************************************************************\r\n! Input varibles\r\n! \r\n! NROWs, NCOLS grid location\r\n! LAYERS number of vertical layers in canopy\r\n! DOY day of the year\r\n! Lat Latitude\r\n! Long Longitude\r\n! ZTIME Hour of the day (UTC/GMT)\r\n! TEMP Temperature [K]\r\n! PAR Photosynthetically active radiation [ W/m**2]\r\n! Wind Wind speed [m s-1]\r\n! Humidity Relative humidity [%]\r\n! Cantype Defines set of canopy characteristics\r\n! LAI Leaf area index [m2 per m2 ground area]\r\n! Pres Pressure [Pa]\r\n!\r\n!*****************************************************************\r\n! Variables used\r\n! PPFD Incoming photosynthetic active radiation [umol/m2/s1]\r\n! PPFDfrac Fraction of solar radiation that is PPFD\r\n! Solar Solar radiation [W/m2]\r\n! Maxsolar Maximum of solar radiation\r\n! Sinbeta Sine of solar angle above horizon\r\n! Beta Solar angle above horizon\r\n! TairK0 Above canopy air temperature [K]\r\n! TairK Array of canopy air temperature [K]\r\n! Ws0 Above canopy wind speed [m/s]\r\n! Ws Array of canopy wind speed [m/s]\r\n! HumidairPA0 Above canopy ambient humidity [Pa]\r\n! HumidairPa Array of canopy ambient humidity in [Pa]\r\n! Transmis Transmission of PPFD that is diffuse\r\n! Difffrac Fraction of PPFD that is diffuse\r\n! PPFDfrac Fraction of solar rad that is PPFD\r\n! Trate\t\t\t temperature vertical profile\r\n! QbAbsV, QbAbsN Absorbed direct beam visible/near IR\r\n! QdAbsV, QdAbsN Absorbed diffuse visible/near IR\r\n! QsAbsV, QsAbsN Absorbed scattered visible//near IR\r\n! QBeamV, QBeamN Above canopy direct beam visible/near IR\r\n! QDiffV, QDiffN Above canopy diffuse visible/near IR\r\n!\r\n! Arrays with values for each canopy layer (vertical profile)\r\n! SunleafSH sensible heat flux for sun leaves [W/m2]\r\n! SunleafLH latent heat flux for sun leaves [W/m2]\r\n! SunleafIR infrared flux for sun leaves [W/m2]\r\n! ShadeleafSH sensible heat for shade leaves [W/m2]\r\n! ShadeleafLH latent heat flux for shade leaves [W/m2]\r\n! ShadeleafIR infrared flux for shade leaves [W/m2]\r\n! VPgausDis gaussian weighting factors for distance\r\n! SunQv visible radiation on sun leaves\r\n! ShadeQv visible radiation on shade leaves\r\n! SunQn near IR radiation on sun leaves\r\n! ShadeQn near IR radiation on shade leaves\r\n! sun_ppfd Array of incoming (NOT absorbed) PPFD on a sun leaf [umol/m2/s]\r\n! shade_ppfd Array of incoming (NOT absorbed) PPFD on a shade leaf [umol/m2/s]\r\n! sun_tk Array of leaf temperature for sun leaves [K]\r\n! shade_tk Array of leaf temperature for shade leaves [K]\r\n! sun_frac Array of the fraction of sun leaves. i = 1 is the top canopy layer, 2 is the next layer, etc.\r\n\r\n!*****************************************************************\r\n! OUTPUT\r\n! For each time step and location\r\n! Each variable is an array with a value for each canopy layer\r\n!\t\t\t (vertical profile)\r\n! i = 1 is the top canopy layer, 2 is the next layer down , etc.\r\n! ShadeleafTK leaf temperature for shade leaves [K] (weighted by canopy type)\r\n! SunleafTK leaf temperature for sun leaves [K] (weighted by canopy type)\r\n! SunFrac fraction of sun leaves (weighted by canopy type)\r\n! SunPPFD PPFD on a sun leaf [umol/m2/s] (weighted by canopy type)\r\n! ShadePPFD PPFD on a shade leaf [umol/m2/s] (weighted by canopy type)\r\n!\r\n!*****************************************************************\r\n! FUNCTION S\r\n! Calcbeta Calculation of solar zenith angle\r\n! WaterVapPres Convert water mixing ratio (kg/kg) to water vapor\r\n! pressure\r\n! Stability Temperature lapse rate in canopy\r\n! get_BETA solar position \r\n\r\n ! \r\n IMPLICIT NONE\r\n \r\n \r\n! INPUT VARIABLES\r\n\r\n INTEGER, INTENT(IN) :: LAYERS\r\n REAL, INTENT(IN) :: YEAR\r\n REAl, INTENT(IN) :: DOY\r\n REAL, INTENT(IN) :: ZTIME\r\n REAL, INTENT(IN) :: LAT ( NCOLS, NROWS ) \r\n REAL, INTENT(IN) :: LONG( NCOLS, NROWS ) \r\n REAL, INTENT(IN) :: LAIc( NCOLS, NROWS )\r\n REAL, INTENT(IN) :: TEMP( NCOLS, NROWS ) \r\n REAL, INTENT(IN) :: PAR ( NCOLS, NROWS ) ! comes in as rgrnd from ASX\r\n REAL, INTENT(IN) :: WIND( NCOLS, NROWS )\r\n REAL, INTENT(IN) :: PRES( NCOLS, NROWS )\r\n REAL, INTENT(IN) :: QV ( NCOLS, NROWS )\r\n REAL, INTENT(IN) :: CTF(NrTyp, NCOLS, NROWS ) ! Canopy type factor array\r\n\r\n! OUTPUT VARIABLES \r\n\r\n REAL, INTENT(OUT) :: ShadeleafTK ( NCOLS, NROWS, LAYERS ) \r\n REAL, INTENT(OUT) :: SunleafTK ( NCOLS, NROWS, LAYERS ) \r\n REAL, INTENT(OUT) :: SunFrac ( NCOLS, NROWS, LAYERS ) \r\n REAL, INTENT(OUT) :: SunPPFD ( NCOLS, NROWS, LAYERS ) \r\n REAL, INTENT(OUT) :: ShadePPFD ( NCOLS, NROWS, LAYERS ) \r\n\r\n! LOCAL VARIABLES\r\n INTEGER :: I, I_CT, J, MM, DD\r\n INTEGER :: IDAY ! For using original solar method\r\n\r\n REAL :: PPFD(NCOLS, NROWS) \r\n REAL :: TotalCT\r\n REAL :: month, Date, JDAY\r\n REAL :: Sinbeta, Beta, HOUR, DAY\r\n REAL,DIMENSION(LAYERS) :: VPgausWt, VPgausDis2, &\r\n VPgausDis, VPslwWT, QdAbsV, QsAbsV, QdAbsn, &\r\n QsAbsn, SunQv, ShadeQv, SunQn, ShadeQn, &\r\n TairK, HumidairPa, Ws, SunleafSH, sun_ppfd,shade_ppfd, & \r\n SunleafLH,SunleafIR, ShadeleafSH, sun_tk,shade_tk,sun_frac, &\r\n ShadeleafLH,ShadeleafIR, sun_ppfd_total, shade_ppfd_total, &\r\n sun_tk_total, shade_tk_total, sun_frac_total\r\n \r\n REAL :: Solar, Maxsolar, Eccentricity, &\r\n Difffrac, PPFDfrac, QbAbsn, & \r\n Trate, Qbeamv,Qdiffv, Qbeamn, Qdiffn, &\r\n QbAbsV,Ea1tCanopy, Ea1pCanopy, & \r\n TairK0, HumidairPa0, Ws0, SH \r\n \r\n! REAL :: CalcEccentricity,WaterVapPres, & \r\n! Stability, Calcbeta\r\n\r\n\r\n\r\n! Start code \r\n\r\n! calculate the date from Year and day of the year \r\n\r\n call get_date(YEAR, DOY, MM, DD)\r\n MONTH = MM ! conver to REAL\r\n DATE = DD ! conver to REAL\r\n! Get authentic Julian Day Number\r\n\r\n JDAY = getJD (YEAR,MONTH,Date)\r\n \r\n DAY = DOY \r\n \r\n ppfd=par*4.5*0.45 ! ppfd = par * 4.5\r\n ! par = rgrnd * 0.45 \r\n\r\n DO I=1, NCOLS\r\n DO J=1, NROWS\r\n SunleafTK(I,J,:) = TEMP(I,J)\r\n ShadeleafTK(I,J,:) = TEMP(I,J)\r\n SunPPFD(I,J,:) = PPFD(I,J)\r\n ShadePPFD(I,J,:) = PPFD(I,J)\r\n SunFrac(I,J,:) = 1.0\r\n TotalCT = 0.0\r\n DO I_CT = 1,NRTYP !canopy types\r\n TotalCT = TotalCT + CTF(I_CT,I,J) * 0.01\r\n ENDDO ! ENDDO I_CT\r\n\r\n IF (TotalCT .GT. 0.0 .AND. LAIc(I,J) .GT. 0.0) THEN\r\n! only invoke canopy model when both CT and LAI are valid\r\n\r\n sun_ppfd_total = 0.0\r\n shade_ppfd_total = 0.0\r\n sun_tk_total = 0.0\r\n shade_tk_total = 0.0\r\n sun_frac_total = 0.0\r\n\r\n DO I_CT = 1,NRTYP !canopy types\r\n IF (CTF(I_CT,I,J) .NE. 0.0) THEN\r\n sun_ppfd = 0.0\r\n shade_ppfd = 0.0\r\n sun_tk = 0.0\r\n shade_tk = 0.0\r\n sun_frac = 0.0\r\n! Convert from XXXXXX format to XX.XX (solar hour)\r\n! HOUR = 0 -> 23.xx\r\n! Solar hour\r\n Hour = ZTIME + LONG(I,J) / 15.0\r\n\r\n IF ( Hour .LT. 0.0 ) THEN\r\n Hour = Hour + 24.0\r\n Day = Doy - 1\r\n ELSEIF ( Hour .GT. 24.0 ) THEN\r\n Hour = Hour - 24.0\r\n Day = Doy + 1\r\n ENDIF\r\n! Solar angle\r\n Beta = Calcbeta(Day , Lat(I,J) , Hour )\r\n Sinbeta = SIN(Beta / 57.29578)\r\n TairK0 = TEMP(I,J)\r\n Ws0 = WIND(I,J)\r\n! Solar = PPFD(I,J)/ConvertWm2toUmolm2s*2\r\n Solar = PPFD(I,J)/2.25\r\n Maxsolar = Sinbeta * SolarConstant * CalcEccentricity(Day )\r\n Call GaussianDist(VPgausDis, Layers)\r\n Call SolarFractions(Solar, Maxsolar, Qdiffv,Qbeamv,Qdiffn,Qbeamn) \r\n Call CanopyRad(VPgausDis, Layers, LAIc(I,J), Sinbeta, Qbeamv, &\r\n Qdiffv, Qbeamn, Qdiffn,I_CT ,Canopychar, sun_frac,&\r\n QbAbsV, QdAbsV, QsAbsV, QbAbsn, QdAbsn, QsAbsn, SunQv,&\r\n ShadeQv, SunQn, ShadeQn, sun_ppfd, shade_ppfd,&\r\n NrCha,NrTyp)\r\n\r\n HumidairPa0 = WaterVapPres(QV(I,J), PRES(I,J), WaterAirRatio)\r\n Trate = Stability(Canopychar, I_CT, Solar , NrCha, NrTyp)\r\n Call CanopyEB(Trate, Layers, VPgausDis, Canopychar, I_CT,&\r\n TairK, HumidairPa, Ws, sun_ppfd,&\r\n shade_ppfd, SunQv, ShadeQv, SunQn, ShadeQn,&\r\n sun_tk, SunleafSH, SunleafLH, SunleafIR,&\r\n shade_tk,ShadeleafSH,ShadeleafLH,ShadeleafIR,&\r\n NrCha, NrTyp, Ws0, TairK0, HumidairPa0)\r\n sun_ppfd_total(:) = sun_ppfd_total(:) + &\r\n 0.01*CTF(I_CT,I,J)*sun_ppfd(:)\r\n shade_ppfd_total(:) = shade_ppfd_total(:) +&\r\n 0.01*CTF(I_CT,I,J)*shade_ppfd(:)\r\n sun_tk_total(:) = sun_tk_total(:) +&\r\n 0.01*CTF(I_CT,I,J)*sun_tk(:)\r\n shade_tk_total(:) = shade_tk_total(:) +& \r\n 0.01*CTF(I_CT,I,J)*shade_tk(:)\r\n sun_frac_total(:) = sun_frac_total(:) + &\r\n 0.01*CTF(I_CT,I,J)*sun_frac(:)\r\n ENDIF\r\n ENDDO ! ENDDO I_CT\r\n SunleafTK(I,J,:) = sun_tk_total(:)/TotalCT\r\n ShadeleafTK(I,J,:) = shade_tk_total(:)/TotalCT\r\n SunPPFD(I,J,:) = sun_ppfd_total(:)/TotalCT\r\n ShadePPFD(I,J,:) = shade_ppfd_total(:)/TotalCT\r\n SunFrac(I,J,:) = sun_frac_total(:)/TotalCT\r\n\r\n ELSEIF( TotalCT .LT. 0.0) THEN\r\n\r\n ELSE\r\n ! total CT is zero\r\n SunleafTK(I,J,:) = TEMP(I,J)\r\n ShadeleafTK(I,J,:) = TEMP(I,J)\r\n SunPPFD(I,J,:) = PPFD(I,J)\r\n ShadePPFD(I,J,:) = PPFD(I,J)\r\n SunFrac(I,J,:) = 1\r\n\r\n ENDIF\r\n \r\n ENDDO ! ENDDO J\r\n ENDDO ! ENDDO I\r\n RETURN \r\n END SUBROUTINE MEGCANOPY \r\n \r\n!////////////////////////////////////////////////////////////////// \r\n \r\nSUBROUTINE MEGVEA( LAYERS, JDATE, ZTIME, &\r\n LAIp, LAIc,LDF_in, &\r\n GAMSM_in, MaxT, MinT, &\r\n MaxWS, &\r\n!AQI, \r\n D_TEMP, D_PPFD, SUNT, SHAT, &\r\n SUNF, SUNP, SHAP,ER, NON_DIMGARMA )\r\n! PURPOSE: Calculate Vegetation emission activity (EA) for each emission\r\n!\t\tclass as the product of EA for individual drivers\r\n!\t\tcalculated by the following functions\r\n!\r\n! Vegetation Emission Activity (EA) algorithm FUNCTIONS\r\n!\r\n! GAMTLD: EA Temperature response (light dependent emission) \r\n! GAMTLI: EA Temperature response (light independent emission)\r\n! GAMP: EA Light response\r\n! GAMTP: combines GAMLD, GAMLI, GAMP to get canopy average\r\n!\r\n! GAMLA: EA leaf age response \r\n! GAMBD: EA bidirectional exchange LAI response\r\n!\r\n! CDEA: Canopy depth emission response\r\n!\r\n! GAMHW: EA response to high wind storms\r\n! GAMHT: EA resposne to high temperature\r\n! GAMLT: EA response to low temperature\r\n!\r\n! GAMAQ: EA response to air pollution\r\n!\r\n! GAMCO2: EA CO2 response (only applied to isoprene)\r\n! GAMSM: EA response to soil moisture (multiplied with LDF)\r\n!\r\n! INCLUDE FILES\r\n! 'PARMS3.EXT' ! I/O API parameters\r\n! 'IODECL3.EXT' ! I/O API function declarations\r\n! 'FDESC3.EXT' ! I/O API file desc. data structures\r\n! 'MEGVEA.EXT' ! coefficients\r\n!\r\n! INPUT Files\r\n!\tSingle value for each location\r\n!\t\tLDF: Light dependent fraction (for categories other than\r\n!\t\tmonoterpene, use constant values from MEGVEA.EXT)\r\n!\t\tAQ: Air Quality indicator\r\n!\tTime series for each location\r\n!\t\tLAI: Leaf Area Index \r\n!\t\tGAMSM: emission activity response to soil moisture\r\n!\t\tMaxT: Daily maximum temperature (K)\r\n!\t\tMinT: Daily minimum temperature (K)\r\n!\t\tMaxWS: Daily mximum wind speed (m/s)\r\n! D_TEMP: Daily average temperature (K)\r\n! D_PPFD: Daily averaged PPFD (umol/m2.s)\r\n!\tHourly time series for each canopy layer in each location\r\n!\t\tsunfrac: fraction of leaves that are sunlit\r\n!\t\tSUNT: leaf Temperature of sunlit leaves (K)\r\n!\t\tSUNP: sun leaf PPFD visible light (micromol/m2/s)\r\n!\t\tSHAT: leaf Temperature of shade leaves (K)\r\n!\t\tSHAP: shade leaf PPFD visible light (micromol/m2/s)\r\n!\t\r\n! OUTPUT Files\r\n!\tHourly time series for each location \r\n!\t\tEmission activity for each of the 20 emission types\r\n!\r\n!\r\n! HISTORY:\r\n! Based on code initiated by Alex Guenther in 1990s\r\n! Coded in FORTRAN as\r\n! MEGAN: Jack Chen 11/04\r\n! MEGANv2.04: Tan 11/21/06\r\n! MEGANv2.1: X. Wang 11/04/2007\r\n! Modified by Julia Lee-Taylor 03/18/2008\r\n! Modified by Xuemei Wang 09/30/2008\r\n! Modified by Tan 07/28/2011\r\n! MEGAN3.0:\r\n! Alex Guenther and Ling Huang Feb 2017\r\n! converted program to subroutine\r\n\r\n IMPLICIT NONE\r\n! INPUT VARIABLES\r\n INTEGER, INTENT(IN) :: LAYERS\r\n INTEGER, INTENT(IN) :: JDATE\r\n REAL, INTENT(IN) :: ZTIME\r\n REAL, INTENT(IN) :: LAIp ( NCOLS, NROWS )\r\n REAL, INTENT(IN) :: LAIc ( NCOLS, NROWS )\r\n REAL, INTENT(IN) :: LDF_in ( NCOLS, NROWS , 4 ) !only 4 use maps\r\n REAL, INTENT(IN) :: GAMSM_in ( NCOLS, NROWS )\r\n REAL, INTENT(IN) :: MaxT ( NCOLS, NROWS )\r\n REAL, INTENT(IN) :: MinT ( NCOLS, NROWS )\r\n REAL, INTENT(IN) :: MaxWS ( NCOLS, NROWS )\r\n! REAL, INTENT(IN) :: AQI ( NCOLS, NROWS )\r\n REAL, INTENT(IN) :: D_TEMP ( NCOLS, NROWS )\r\n REAL, INTENT(IN) :: D_PPFD ( NCOLS, NROWS ) ! comes in as rgrnd\r\n REAL, INTENT(IN) :: SUNT ( NCOLS, NROWS, LAYERS )\r\n REAL, INTENT(IN) :: SHAT ( NCOLS, NROWS, LAYERS )\r\n REAL, INTENT(IN) :: SUNF ( NCOLS, NROWS, LAYERS )\r\n REAL, INTENT(IN) :: SUNP ( NCOLS, NROWS, LAYERS )\r\n REAL, INTENT(IN) :: SHAP ( NCOLS, NROWS, LAYERS )\r\n\r\n! OUTPUT VARIABLES\r\n REAL, INTENT(OUT) :: ER(NCOLS, NROWS )\r\n REAL, INTENT(OUT) :: NON_DIMGARMA (NCLASS,NCOLS, NROWS)\r\n\r\n !LOCAL VARIABLES\r\n\r\n LOGICAL, PARAMETER :: GAMBD_YN = .false.\r\n\r\n LOGICAL, PARAMETER :: GAMAQ_YN = .false.\r\n! For the CMAQ implementation of MEGAN we refer to soil moisture \r\n! at layer 2, which is 1 meter for PX and 0.5 m for NOAH.\r\n! Keep this in mind when enabling the GAMSM stress.\r\n LOGICAL, PARAMETER :: GAMSM_YN = .false. \r\n LOGICAL, PARAMETER :: GAMHT_YN = .false.\r\n LOGICAL, PARAMETER :: GAMLT_YN = .false.\r\n LOGICAL, PARAMETER :: GAMHW_YN = .false.\r\n LOGICAL, PARAMETER :: GAMCO2_YN = .false.\r\n\r\n REAL :: VPGWT(LAYERS), Ea1L, Ea2L\r\n\r\n REAL :: CDEA ( NCOLS, NROWS, LAYERS ) ! Emission response to canopy depth\r\n\r\n\r\n REAL :: YEAR\r\n REAl :: DOY\r\n REAL :: GAMLA ( NCOLS, NROWS ) ! EA leaf age response\r\n REAL :: GAMAQ ( NCOLS, NROWS ) ! EA response to air pollution\r\n REAL :: GAMBD ( NCOLS, NROWS ) ! EA bidirectional exchange LAI response\r\n REAL :: GAMHT ( NCOLS, NROWS ) ! EA response to high temperature\r\n REAL :: GAMLT ( NCOLS, NROWS ) ! EA response to low temperature\r\n\r\n REAL :: GAMHW ( NCOLS, NROWS ) ! EA response to high wind speed\r\n REAL :: GAMSM ( NCOLS, NROWS ) ! EA response to soil moisture\r\n REAL :: GAMCO2 ( NCOLS, NROWS ) ! EA response to CO2\r\n REAL :: GAMTP ! combines GAMLD, GAMLI, GAMP to get canopy average\r\n\r\n REAL :: LDFMAP ( NCOLS, NROWS ) ! light depenedent fraction map\r\n\r\n\r\n REAL :: SUM1, SUM2\r\n\r\n\r\n\r\n\r\n ! loop indices\r\n !INTEGER :: IDATE, ITIME\r\n INTEGER :: S, T, I, J, K \r\n! YEAR = FLOAT( MOD( JDATE, 1000 ) )\r\n! DOY = FLOAT( JDATE / 1000 ) \r\n! these are backwards I think. don't need them anyway\r\n\r\n \r\n\r\n ! EA response to canopy temperature/light\r\n\r\n IF ( Layers .EQ. 5 ) THEN\r\n VPGWT(1) = 0.1184635\r\n VPGWT(2) = 0.2393144\r\n VPGWT(3) = 0.284444444\r\n VPGWT(4) = 0.2393144\r\n VPGWT(5) = 0.1184635\r\n ELSE\r\n DO K = 1,Layers\r\n VPGWT(K) = 1.0 / FLOAT( Layers )\r\n END DO\r\n ENDIF\r\n\r\n! First process Factors independent of species emission classes S :\r\n \r\n ! Emission response to canopy depth\r\n CALL GAMMA_CD( NCOLS, NROWS, Layers, LAIc, CDEA )\r\n\r\n ! EA bidirectional exchange LAI response\r\n IF ( GAMBD_YN ) THEN\r\n CALL GAMMA_LAIbidir(NCOLS, NROWS, LAIc, GAMBD)\r\n ELSE\r\n GAMBD = 1.0\r\n ENDIF\r\n\r\n IF ( GAMCO2_YN ) THEN\r\n CALL GAMMA_CO2(NCOLS, NROWS, GAMCO2)\r\n ELSE\r\n GAMCO2 = 1.0\r\n ENDIF\r\n\r\n! Now process all factors dependent on S:\r\n\r\n DO S = 1,NEMIS ! Loop over all the emission classes\r\n\r\n IF ( S .EQ. 3 .OR. S .EQ. 4 .OR. S .EQ. 5 .OR. S .EQ. 6 ) THEN\r\n! otherwise use the input values. \r\n LDFMAP = LDF_IN(:,:,S-2) ! only LDF 3, 4, 5, and 6 in file\r\n ELSE\r\n! For these species, Read LDF from previous MEGVEA.EXT \r\n LDFMAP = LDF(S)\r\n\r\n ENDIF\r\n\r\n\r\n ! leaf age activity factor: dependent upon S\r\n CALL GAMMA_A( NCOLS, NROWS, S, LAIp, LAIc, D_TEMP, GAMLA )\r\n\r\n ! emission activity response to air quality\r\n\r\n IF ( GAMAQ_YN ) THEN\r\n! CALL GAMMA_AQ(NCOLS, NROWS, S, AQI, GAMAQ)\r\n ELSE\r\n GAMAQ = 1.0\r\n ENDIF\r\n\r\n IF ( GAMSM_YN ) THEN\r\n GAMSM = GAMSM_in\r\n ELSE\r\n GAMSM = 1.0\r\n ENDIF\r\n\r\n ! EA response to high temperature\r\n IF ( GAMHT_YN ) THEN\r\n CALL GAMMA_HT(NCOLS, NROWS, S, MaxT, GAMHT)\r\n ELSE\r\n GAMHT = 1.0\r\n ENDIF\r\n\r\n ! EA response to low temperature\r\n IF ( GAMLT_YN ) THEN\r\n CALL GAMMA_LT(NCOLS, NROWS, S, MinT, GAMLT)\r\n ELSE\r\n GAMLT = 1.0\r\n ENDIF\r\n\r\n ! EA response to high wind speed\r\n IF ( GAMHW_YN ) THEN\r\n CALL GAMMA_HW(NCOLS, NROWS, S, MaxWS, GAMHW)\r\n ELSE\r\n GAMHW = 1.0\r\n ENDIF\r\n\r\n\r\n!\r\n\r\n! THe following code has bee revised for efficiency and clarity.\r\n! DO I = 1, NCOLS\r\n! DO J = 1, NROWS\r\n!\r\n! DO K = 1, Layers\r\n!\r\n!\r\n! Ea1L(K) = CDEA(I,J,K) * &\r\n! GAMTLD(SunT(I,J,K),D_TEMP(I,J),S) * &\r\n! GAMP(SunP(I,J,K),D_PPFD(I,J)) * SunF(I,J,K) + &\r\n! GAMTLD(ShaT(I,J,K),D_TEMP(I,J),S) * &\r\n! GAMP(ShaP(I,J,K),D_PPFD(I,J)) &\r\n! * (1-SunF(I,J,K))\r\n!\r\n! Ea2L(K) = GAMTLI(SunT(I,J,K),S)* SunF(I,J,K)+ &\r\n! GAMTLI(ShaT(I,J,K),S)*(1-SunF(I,J,K))\r\n!\r\n! ENDDO ! ENDDO canopy layers\r\n! \r\n! GAMTP(I,J)=SUM((Ea1L(:)*LDFMAP(I,J) + &\r\n! Ea2L(:)*(1-LDFMAP(I,J)))* VPGWT( : )) )\r\n! ENDDO ! NROWS\r\n! ENDDO ! NCOLS\r\n\r\n\r\n\r\n \r\n DO J = 1, NROWS\r\n DO I = 1, NCOLS! Preserve stride 1 for output arrays\r\n\r\n SUM1 = 0.0\r\n SUM2 = 0.0\r\n\r\n DO K = 1, Layers\r\n! 2.025 is the conversion to PPFD. \r\n! SWDNB*.45 = PAR (Wm-2)\r\n! PAR*4.5 = PPFD (umol/m2/s)\r\n Ea1L = CDEA(I,J,K) * &\r\n GAMTLD(SunT(I,J,K),D_TEMP(I,J),S) * &\r\n GAMP(SunP(I,J,K),D_PPFD(I,J)*2.025) * SunF(I,J,K) + &\r\n GAMTLD(ShaT(I,J,K),D_TEMP(I,J),S) * &\r\n GAMP(ShaP(I,J,K),D_PPFD(I,J)*2.025) &\r\n * (1.0-SunF(I,J,K))\r\n SUM1 = SUM1 + Ea1L*VPGWT(K)\r\n\r\n Ea2L = GAMTLI(SunT(I,J,K),S)* SunF(I,J,K) + &\r\n GAMTLI(ShaT(I,J,K),S)*(1.0-SunF(I,J,K))\r\n SUM2 = SUM2 + Ea2L*VPGWT(K)\r\n\r\n END DO ! END DO canopy layers\r\n\r\n GAMTP = SUM1*LDFMAP(I,J) + SUM2*( 1.0-LDFMAP(I,J) )\r\n\r\n ! ... Calculate emission activity factors\r\n \r\n IF ( S .EQ. 1 ) THEN\r\n! GAMCO2 only applied to isoprene\r\n ER(:,:) = LAIc(I,J) * GAMTP * GAMCO2(I,J) * GAMLA(I,J) * &\r\n GAMHW(I,J) * GAMAQ(I,J) * GAMHT(I,J) * GAMLT(I,J) * &\r\n GAMSM(I,J) \r\n\r\n ELSE IF ( S .EQ. 13 ) THEN\r\n \r\n ! GAMBD only applied to ethanol and acetaldehyde\r\n \r\n ER(I,J) = LAIc(I,J) * GAMTP * GAMBD(I,J) * GAMLA(I,J) * &\r\n GAMHW(I,J) * GAMAQ(I,J) * GAMHT(I,J) * GAMLT(I,J) * &\r\n GAMSM(I,J) \r\n\r\n ELSE\r\n! Process remaining species \r\n \r\n ER(I,J) = LAIc(I,J) * GAMTP * GAMLA(I,J) * &\r\n GAMHW(I,J) * GAMAQ(I,J) * GAMHT(I,J) * GAMLT(I,J) * &\r\n GAMSM(I,J) \r\n\r\n END IF\r\n IF ( ER(I,J).GT.0.0 ) THEN\r\n NON_DIMGARMA (S,I,J) = ER(I,J)\r\n ELSE\r\n NON_DIMGARMA (S,I,J) = 0.0\r\n END IF\r\n\r\n END DO ! NCOLS\r\n END DO ! NROWS\r\n\r\n END DO ! End loop of species (S)\r\n \r\n RETURN\r\n \r\n END SUBROUTINE MEGVEA\r\n\r\n! ///////////////////////////////////////////////////////////////////////////\r\n SUBROUTINE MEGVSA (IDATE,ITIME,TSTEP,JYEAR,JDAY, &\r\n L_DESID_DIAG,SLTYP, CTF,LAIc, LAT, &\r\n TEMP, SOILM1,SOILM2, SOILT, PRECADJ, &\r\n CFNO, CFNOG, GAMSM, GAMNO, BDSNP_NO )\r\n\r\n\r\n!***********************************************************************\r\n! This subroutine computes soil NO emission activity factor and isoprene\r\n! soil moisture activity using MCIP output variables.\r\n!\r\n! DESCRIPTION:\r\n!\r\n! Uses new NO algorithm NO = Normalized*Tadj*Padj*Fadj*Cadj\r\n! to estimate NO emissions\r\n! Information needed to estimate NO emissions\r\n! Julian Day (integer) JDATE\r\n! Surface Temperature (MCIP field) TA (K)\r\n! Soil Moisture (MCIP field) SOILM (M**3/M**3) (LSOIL)\r\n! (ratio of volume of water per volume of soil)\r\n! Soil Temperature (MCIP field) SOILT (K) (LSOIL)\r\n! Soil Type (MCIP field) ISLTYP (LSOIL)\r\n!\r\n! saturation values for soil types (constants) (LSOIL)\r\n! FOR PX Version, the Temperature adjustment factor accounts for wet\r\n! and dry soils\r\n! and the precipitation adjustment factor accounts for\r\n! saturated soils\r\n! FOR the non-PX version, the basic algorithm remains with a\r\n! temperature adjustment factor (dry soil)\r\n! and no adjustment for saturated soils\r\n!\r\n! The following arrays are updated after each call to SOILNOX\r\n! PULTYPE type of NO emission pulse\r\n! PULSEDATE julian date for the beginning of an NO pulse\r\n! PULSETIME time for the beginning of an NO pulse\r\n!\r\n! The calculation are based on the following paper by J.J. Yienger\r\n! and H. Levy II\r\n! J.J. Yienger and H. Levy II, Journal of Geophysical Research, vol\r\n! 100,11447-11464,1995\r\n!\r\n! The Temperature Adjustment Factor is based on section 4.2 for wet\r\n! and dry soils with the following modification (PX version):\r\n! Instead of classifying soils as either 'wet' or 'dry', the wet\r\n! and dry adjustment is calculated at each grid cell. A linear \r\n! interpolation between the wet and dry adjustment factor is made \r\n! using the relative amount of soil moisture in the top layer (1cm)\r\n! as the interpolating factor. The relative amount of soil moisture \r\n! is determined by taking the MCIP soil moisture field and dividing by the\r\n! saturation value defined for each soil type in the PX version of MCIP\r\n! the soil temperature is used in PX version\r\n!\r\n! The Precipation Adjustment factor is based on section 4.1 with the\r\n! following modifications.\r\n! The rainrate is computed from the MCIP directly using a 24 hr daily total.\r\n! THe types of Pulses as described in YL95 were used to estimate\r\n! the NO emission rate.\r\n!\r\n! Also see the following paper for more information:\r\n! Proceedings of the Air and Waste Management Association/U.S. Environmental Protection\r\n! Agency EMission Inventory Conference, Raleigh October 26-28, 1999 Raleigh NC\r\n! by Tom Pierce and Lucille Bender\r\n!\r\n! REFERENCES\r\n!\r\n! JACQUEMIN B. AND NOILHAN J. (1990), BOUND.-LAYER METEOROL., 52, 93-134.\r\n! J.J. Yienger and H. Levy II, Journal of Geophysical Research, vol 100,11447-11464,1995\r\n! T. Pierce and L. Bender, Examining the Temporal Variability of Ammonia and \r\n! Nitric Oxide Emissions from Agricultural Proc Proceedings of the Air and Waste \r\n! Management Association/U.S. Environmental Protection Agency EMission Inventory \r\n! Conference, Raleigh October 26-28, 1999 Raleigh NC\r\n! PRECONDITIONS REQUIRED:\r\n! Normalized NO emissions, Surface Temperature, Soil Moisture, Soil type,\r\n! NO emission pulse type, soil moisture from previous time step, julian date\r\n! of NO emission pulse start, time of NO emission pulse start, soil type, \r\n! SOIL TYPES, Land use data\r\n!\r\n! SUBROUTINES AND FUNCTIONS CALLED (directly or indirectly):\r\n! FERTILIZER_ADJ computes fertlizer adjustment factor\r\n! VEG_ADJ computes vegatation adjustment factor\r\n! GROWSEASON computes day of growing season\r\n!\r\n! HISTORY:\r\n! 07/21/11: Imported from SMOKE-BEIS v3.14 for MEGEAN v2.10 (Tan)\r\n! 03/19/17: Make as an indpendent program (MEGSEA) (Ling Huang)\r\n! 03/31/17: Add calculation for soil moisture activity (Ling Huang)\r\n! 06/10/19: Add an option to use BDSNP model to calculate soil NO\r\n! emissions (Ling Huang) \r\n!*********************************************************************\r\n\r\n USE BDSNP_MOD\r\n USE RUNTIME_VARS, ONLY: BDSNP_MEGAN\r\n\r\n IMPLICIT NONE\r\n \r\n\r\n\r\n! input variables\r\n \r\n INTEGER, INTENT(IN) :: IDATE, ITIME, TSTEP(3) \r\n LOGICAL, INTENT( IN ) :: L_DESID_DIAG\r\n \r\n INTEGER, INTENT(IN) :: SLTYP (NCOLS, NROWS) ! soil type\r\n REAL, INTENT(IN) :: JYEAR, JDAY\r\n REAL, INTENT(IN) :: CTF( NrTyp, NCOLS, NROWS ) ! Canopy type factor arra\r\n REAL, INTENT(IN) :: LAIc( NCOLS, NROWS ) ! Current time step LAI\r\n REAL, INTENT(IN) :: LAT (NCOLS, NROWS ) ! Latitude\r\n REAL, INTENT(IN) :: TEMP (NCOLS, NROWS) ! Temperautre (K)\r\n\r\n REAL, INTENT(IN) :: SOILM1 (NCOLS, NROWS) ! soil moisture\r\n REAL, INTENT(IN) :: SOILM2 (NCOLS, NROWS) ! soil moisture\r\n REAL, INTENT(IN) :: SOILT (NCOLS, NROWS) ! soil temperature\r\n REAL, INTENT(IN) :: PRECADJ (NCOLS, NROWS) \r\n\r\n! output variable\r\n REAL, INTENT(OUT) :: CFNO (NCOLS, NROWS) ! Emission activity for crop\r\n REAL, INTENT(OUT) :: CFNOG (NCOLS, NROWS) ! Emission activity for grass\r\n REAL, INTENT(OUT) :: GAMSM (NCOLS, NROWS) ! Soil moisture activity for isoprene\r\n REAL, INTENT(OUT) :: GAMNO (NCOLS, NROWS) ! Final NO emission activity\r\n REAL, INTENT(OUT) :: BDSNP_NO (NCOLS, NROWS) ! BDSNP NO emissions(nmol/s/m2)\r\n\r\n\r\n\r\n! Local variables and their descriptions:\r\n CHARACTER*16 :: GDNAM\r\n CHARACTER*16 :: CNAME ! Coord name\r\n\r\n\r\n\r\n\r\n\r\n INTEGER :: GDAY, GLEN\r\n INTEGER :: MXLAI,MXCT\r\n REAL :: t1,wilt,TMO1,TMO2\r\n\r\n LOGICAL :: LSOIL = .TRUE.\r\n\r\n INTEGER :: T,I,J,MM,DD,I_CT\r\n \r\n CFNO = 0.0 ! INITIALIZE\r\n CFNOG = 0.0 ! INITIALIZE\r\n\r\n if (BDSNP_MEGAN) then\r\n\r\n call get_date(JYEAR, JDAY, MM, DD)\r\n\r\n CALL HRNOBDSNP( IDATE,ITIME,TSTEP,MM, &\r\n L_DESID_DIAG,SOILM1,SOILT,SLTYP,LAIc, &\r\n bdsnp_no)\r\n\r\n else\r\n\r\n\r\n CALL SOILNOX(IDATE,ITIME,NCOLS,NROWS, &\r\n TEMP,LSOIL,SLTYP, SOILM1, SOILT, &\r\n LAIc, LAT, PRECADJ, &\r\n CFNO, CFNOG )\r\n\r\n DO I = 1,NCOLS\r\n DO J = 1,NROWS\r\n CALL GROWSEASON(IDATE,LAT(I,J),GDAY,GLEN)\r\n IF (GDAY .EQ. 0) THEN\r\n ! non growing season\r\n ! CFNOG for everywhere\r\n GAMNO(I,J) = CFNOG(I,J)\r\n\r\n ELSE IF (GDAY .GT. 0 .AND. GDAY .LE. 366) THEN\r\n ! growing season\r\n ! CFNOG for everywhere except crops\r\n TMO1 = 0.\r\n TMO2 = 0.\r\n DO I_CT = 1,5\r\n TMO1 = TMO1 + CTF(I_CT,I,J)\r\n TMO2 = TMO2 + CTF(I_CT,I,J) * CFNOG(I,J)\r\n ENDDO\r\n ! CFNO for crops\r\n TMO1 = TMO1 + CTF(6,I,J)\r\n TMO2 = TMO2 + CTF(6,I,J) * CFNO(I,J)\r\n IF (TMO1 .EQ. 0.0) THEN\r\n GAMNO(I,J) = 0.0\r\n ELSE\r\n GAMNO(I,J) = TMO2 / TMO1\r\n ENDIF\r\n ENDIF\r\n \r\n ENDDO !NCOLS\r\n ENDDO !NROWS\r\n\r\n END IF ! YL or BDSNP\r\n\r\n\r\n DO I = 1, NCOLS\r\n DO J = 1, NROWS\r\n\r\n !wilt = WWLT(SLTYP(I,J))\r\n wilt = Grid_Data%WWLT(I,J)\r\n t1 = wilt + d1\r\n IF ( SOILM2(I,J) < wilt ) THEN\r\n GAMSM(I,J) = 0\r\n ELSE IF ( SOILM2(I,J) >= wilt .AND. SOILM2(I,J) < t1 ) THEN\r\n GAMSM(I,J) = (SOILM2(I,J) - wilt)/d1\r\n ELSE\r\n GAMSM(I,J) = 1\r\n END IF\r\n END DO ! NCOLS\r\n END DO ! NROWS\r\n \r\n \r\n END SUBROUTINE MEGVSA\r\n\r\n\r\n subroutine convert2mech(no_in,inper,outer)\r\n USE centralized_io_module\r\n use hgrd_defn, only : ncols, nrows\r\n USE MEGAN_GSPRO\r\n!***********************************************************************\r\n! This program does chemical speciation and MECHANISM conversion.\r\n! The output from megan.f is converted from 19 to 201 species which\r\n! are then lumped according to the MECHANISM assigned in the run script. \r\n! The program loops through all timesteps of the input file.\r\n!\r\n! Procedure\r\n! 1) File set up and assign I/O parameters\r\n! 2) Conversion from MGN 19 to speciated 201\r\n! 3) Conversion from speciated species to MECHANISM species\r\n! 4) Convert to tonne/hour if needed\r\n!\r\n! The input file gives variables in units of g-species/sec.\r\n! All outputs are in mole/sec or tonne/hr depending on assignment.\r\n!\r\n!\r\n! INPUT:\r\n! 1) MEGVEA output (netCDF-ioapi)\r\n! 2) MEGSEA output (netCDF-ioapi)\r\n!\r\n! OUTPUT:\r\n! 1) MEGAN speciation or MECHANISM species (netCDF-ioapi)\r\n!\r\n! Requirement:\r\n! Requires libnetcdf.a and libioapi.a to compile\r\n!\r\n! setenv MGERFILE \r\n! setenv OUTPFILE \r\n!\r\n! CALLS: CHECKMEM\r\n!\r\n! Originally created by Jack Chen 11/04 for MEGAN v.0\r\n! For MEGAN v2.0 created by Tan 12/01/06\r\n! For MEGAN v2.1 created by Xuemei Wang 11/04/07\r\n! For MEGAN v2.1 to use 150 species created by Xuemei Wang 09/30/09\r\n! For MEGAN v3 to use 201 species created by Alex Guenther 03/19/17\r\n!\r\n! History:\r\n! 08/14/07 Tan - Move to MEGANv2.02 with no update\r\n! 08/29/07 modified by A. Guenther to correct error in assigning \r\n! emission factor. This version is called MEGANv2.03\r\n! 10/29/07 modified by A. Guenther to correct omission of diurnal variation \r\n! factor. This version is called MEGANv2.04\r\n! 11/04/07 modified by Xuemei Wang to give two options for MAP or lookup table for\r\n! the emission factors. Also gives options for different chemical MECHANISMs\r\n! in the code: user modifies the external script to assign MECHANISM.\r\n! This version is called MEGANv2.1.0\r\n! 06/04/08 modified by J. Lee-Taylor to accept vegetation-dependent speciation factors\r\n! in table format (RESHAPE tables) rather than from DATA statements.\r\n! 09/30/08 modified by Xuemei Wang to give options for input file and test different mechanisms\r\n! 09/27/11 Tan&Xuemei MEGANv2.10 includes soil NOx adjustment and a lot of updates\r\n! 03/19/17 Ling Huang MEGANv3 (a) updates vegetation emission factors and\r\n! add additional compounds; (b) emission factor unit from\r\n! ug/m2/hr to nanomoles/m2/s; (c) fix NO emission bug\r\n! 06/08/17 Ling Huang updated/added new mechanism for MEGAN3\r\n! 08/10/19 Ling Huang updated for BDSNP option for MEGAN3.1\r\n!***********************************************************************\r\n\r\n USE RUNTIME_VARS, ONLY: BDSNP_MEGAN\r\n IMPLICIT NONE\r\n\r\n\r\n\r\n!... Program I/O files\r\n! Program name\r\n CHARACTER*16 :: PROGNAME = 'MGN2MECH'\r\n\r\n\r\n!... Internal parameters\r\n! internal paramters (status and buffer)\r\n\r\n\r\n! local variables and their descriptions:\r\n INTEGER :: t, s, I, N ! Counters\r\n INTEGER :: nmpmg, nmpsp, nmpmc ! Counters\r\n\r\n REAL, ALLOCATABLE :: tmper(:,:,:) ! Temp emission buffer\r\n\r\n\r\n REAL :: GAMNO(ncols,nrows) ! NO emission factor\r\n REAL :: BDSNP_NO(ncols,nrows) ! NO emissions for BDSNP algorithm (nanomol/m^2/s)\r\n\r\n REAL, INTENT(IN) :: inper (19, NCOLS, NROWS )\r\n REAL, INTENT(IN) :: NO_IN (NCOLS, NROWS )\r\n REAL, INTENT(OUT) :: outer (NMGNSPC, NCOLS, NROWS ) ! CB6\r\n\r\n INTEGER :: INO,ios\r\n\r\n REAL, PARAMETER :: nmol2mol = 1E-9 ! convert nanomoles to moles\r\n\r\n \r\n\r\n!***********************************************************************\r\n\r\n!=======================================================================\r\n!... Begin program\r\n!=======================================================================\r\n\r\n\r\n\r\n!.....2) Conversion from MGN 20 to speciated 201\r\n!-----------------------------------------------------------------------\r\n!... Allocate memory\r\n ALLOCATE ( tmper( n_spca_spc, ncols, nrows ), STAT = ios )\r\n\r\n INO = 8 ! this was 20 for megan 3.1 \r\n\r\n tmper = 0.\r\n outer = 0.\r\n\r\n IF ( .NOT. BDSNP_MEGAN ) THEN\r\n GAMNO = NO_IN\r\n ELSE\r\n BDSNP_NO = NO_IN\r\n ENDIF\r\n\r\n DO s = 1, N_SMAP_SPC\r\n nmpmg = mg20_map(s)\r\n nmpsp = spca_map(s)\r\n IF ( nmpmg .NE. INO ) then\r\n !... Not NO\r\n tmper(nmpsp,:,:) = inper(nmpmg,:,:) * efmaps(:,:,nmpmg) &\r\n * effs_all(s)\r\n ELSEIF ( nmpmg .EQ. INO ) then\r\n\r\n!!-----------------NO Stuff-----------------------\r\n IF ( .NOT. BDSNP_MEGAN ) THEN\r\n! GAMNO is emission activity factor\r\n tmper(nmpsp,:,:) = GAMNO(:,:) * efmaps(:,:,INO) &\r\n * effs_all(s)\r\n ELSE\r\n\r\n! directly use BDSNP soil NO\r\n tmper(nmpsp,:,:) = BDSNP_NO(:,:)\r\n ENDIF \r\n!-----------------end of NO----------------------\r\n ENDIF !IF ( nmpmg .NE. INO ) then\r\n\r\n ENDDO ! End species loop\r\n\r\n!-----------------------------------------------------------------------\r\n!.....3) Conversion from speciated species to MECHANISM species\r\n!-----------------------------------------------------------------------\r\n DO s = 1, n_spca_spc\r\n tmper(s,:,:) = tmper(s,:,:) * nmol2mol \r\n ENDDO\r\n\r\n ! lumping to MECHANISM species\r\n\r\n DO s = 1, n_scon_spc\r\n nmpsp = spmh_map(s) ! Mapping value for SPCA\r\n nmpmc = mech_map(s) ! Mapping value for MECHANISM\r\n\r\n IF ( nmpmc .NE. 999 ) THEN\r\n\r\n outer(nmpmc,:,:) = outer(nmpmc,:,:) + &\r\n (tmper(nmpsp,:,:) * conv_fac(s))\r\n ENDIF\r\n ENDDO ! End species loop\r\n\r\n\r\n end subroutine convert2mech\r\n\r\n\r\n!-----------------------------------------------------------------------\r\n! Created by Tan 07/28/11\r\n! Updated by Ling Huang 02/18/17 for MEGAN3: LAI data is saved as\r\n! LAI1, LAI2, ... LAIS92, instead of one variable with multiple time\r\n! step.\r\n!-----------------------------------------------------------------------\r\n SUBROUTINE FINDLAI( IDATE, MXLAI, NLAI, LAIp_I, LAIc_I)\r\n\r\n IMPLICIT NONE\r\n\r\n! input\r\n INTEGER,INTENT(IN) :: IDATE ! YYYYJJJ\r\n INTEGER,INTENT(IN) :: MXLAI, NLAI\r\n! output\r\n INTEGER,INTENT(OUT) :: LAIp_I, LAIc_I\r\n! Local\r\n INTEGER :: JJJ\r\n REAL :: XXX\r\n\r\n! Calculation\r\n\r\n\r\n JJJ = MOD(IDATE,1000)\r\n IF ( NLAI .EQ. 46 ) THEN\r\n XXX = JJJ/8.0\r\n LAIc_I = CEILING(XXX)\r\n ELSE IF ( NLAI .EQ. 37 ) THEN\r\n XXX = JJJ/10.0\r\n LAIc_I = CEILING(XXX)\r\n !ELSE IF ( NLAI .EQ. 12 ) THEN\r\n ! CALL DAYMON(IDATE, MM, DAY)\r\n ! LAIc_I = MM\r\n ENDIF\r\n\r\n IF (LAIc_I .EQ. 1) THEN\r\n LAIp_I = MXLAI\r\n ELSE\r\n LAIp_I = LAIc_I - 1\r\n ENDIF\r\n\r\n\r\n RETURN\r\n END SUBROUTINE FINDLAI\r\n!-----------------------------------------------------------------------`\r\n\r\n\r\nend module megan_fx\r\n" }, { "path": "CCTM/src/biog/megan3/megan_gspro.F", "content": "!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n MODULE MEGAN_GSPRO\n\n!\n! This module determines the speciation map files to use and populates \n! the MEGAN_NAMES array. This array is used in EMIS_DEFN.F via the \n! variable vdemis_me in the MIOG stream.\n!\n\n IMPLICIT NONE\n \n INTEGER, SAVE :: NMGNSPC\n INTEGER, SAVE :: n_scon_spc \n CHARACTER( 16 ), ALLOCATABLE :: MEGAN_NAMES(:)\n INTEGER, ALLOCATABLE :: spmh_map(:),mech_map(:) ! speciated species name\n\n REAL, ALLOCATABLE :: conv_fac(:) \n REAL,ALLOCATABLE :: mech_mwt(:)\n CHARACTER( 16 ), ALLOCATABLE :: mech_spc(:)\n\n INCLUDE 'SPC_NOCONVER.EXT'\n INCLUDE 'SPC_CB05.EXT'\n INCLUDE 'SPC_CB6.EXT'\n INCLUDE 'SPC_CB6_AE7.EXT'\n INCLUDE 'SPC_RACM2.EXT' ! new in MEGAN3\n INCLUDE 'SPC_CRACMM1.EXT' ! new in CMAQ 5.4\n INCLUDE 'SPC_CRACMM2.EXT' ! new in CMAQ 5.5\n INCLUDE 'MAP_CV2CB05.EXT'\n INCLUDE 'SPC_SAPRC07.EXT' ! new in MEGAN3\n INCLUDE 'SPC_SAPRC07T.EXT' ! new in MEGAN3\n INCLUDE 'MAP_CV2CB6.EXT' \n INCLUDE 'MAP_CV2CB6_AE7.EXT' \n INCLUDE 'MAP_CV2RACM2.EXT'\n INCLUDE 'MAP_CV2CRACMM1.EXT'\n INCLUDE 'MAP_CV2CRACMM2.EXT'\n INCLUDE 'MAP_CV2SAPRC07.EXT'\n INCLUDE 'MAP_CV2SAPRC07T.EXT'\n\n CONTAINS\n\n subroutine MEGAN_MAP\n\n USE RXNS_DATA, ONLY : MECHNAME\n USE RUNTIME_VARS, ONLY : LOGDEV\n USE UTILIO_DEFN\n\n IMPLICIT NONE\n\n CHARACTER( 16 ) :: MECHANISM ! Mechanism name\n INTEGER ios,INDX\n INTEGER, PARAMETER :: NMECHS = 17 ! dimension for number of mechanisms considered\n\n INTEGER I\n\n CHARACTER( 256 ) :: XMSG\n LOGICAL :: EFLAG \n\n TYPE MIOG_MECH_TYPE\n CHARACTER( 32 ) :: CHEMMECH\n CHARACTER( 16 ) :: MIOGMECH\n END TYPE MIOG_MECH_TYPE\n TYPE( MIOG_MECH_TYPE ) :: MIOG_MECH_MAP( NMECHS ) = (/\n & MIOG_MECH_TYPE( 'CB05E51_AE6_AQ ','CB05 '),\n & MIOG_MECH_TYPE( 'CB05EH51_AE6_AQ ','CB05 '),\n & MIOG_MECH_TYPE( 'CB05MP51_AE6_AQ ','CB05 '),\n & MIOG_MECH_TYPE( 'CB05TUCL51_AE6_AQ ','CB05 '),\n & MIOG_MECH_TYPE( 'CB6R3_AE6_AQ ','CB6 '),\n & MIOG_MECH_TYPE( 'CB6MP_AE6_AQ ','CB6 '),\n & MIOG_MECH_TYPE( 'CB6R5HAP_AE7_AQ ','CB6_ae7 '),\n & MIOG_MECH_TYPE( 'CB6R3_AE7_AQ ','CB6_ae7 '),\n & MIOG_MECH_TYPE( 'CB6R5_AE7_AQ ','CB6_ae7 '),\n & MIOG_MECH_TYPE( 'CB6R5M_AE7_AQ ','CB6_ae7 '),\n & MIOG_MECH_TYPE( 'RACM2_AE6_AQ ','RACM2 '),\n & MIOG_MECH_TYPE( 'SAPRC07TC_AE6_AQ ','SAPRC07T'),\n & MIOG_MECH_TYPE( 'SAPRC07TIC_AE7I_AQ ','SAPRC07T'),\n & MIOG_MECH_TYPE( 'SAPRC07TIC_AE7I_AQKMT2 ','SAPRC07T'), \n & MIOG_MECH_TYPE( 'CRACMM1_AQ ','CRACMM1 '),\n & MIOG_MECH_TYPE( 'CRACMM1AMORE_AQ ','CRACMM1 '),\n & MIOG_MECH_TYPE( 'CRACMM2 ','CRACMM2 ') /)\n\n INDX = INDEX1( MECHNAME, NMECHS, MIOG_MECH_MAP%CHEMMECH )\n MECHANISM = MIOG_MECH_MAP( INDX )%MIOGMECH\n EFLAG = .FALSE.\n \n SELECT CASE ( TRIM(MECHANISM) )\n CASE ('SAPRC07')\n n_scon_spc = n_saprc07\n NMGNSPC = n_saprc07_spc\n CASE ('SAPRC07T')\n n_scon_spc = n_saprc07t\n NMGNSPC = n_saprc07t_spc\n CASE ('CB05')\n n_scon_spc = n_cb05\n NMGNSPC = n_cb05_spc\n CASE ('CB6')\n n_scon_spc = n_cb6 ! 145\n NMGNSPC = n_cb6_spc ! 34\n CASE ('RACM2')\n n_scon_spc = n_racm2\n NMGNSPC = n_racm2_spc\n CASE ('CB6_ae7')\n n_scon_spc = n_cb6_ae7\n NMGNSPC = n_cb6_ae7_spc\n CASE ('CRACMM1')\n n_scon_spc = n_cracmm1\n NMGNSPC = n_cracmm1_spc\n CASE ('CRACMM2')\n n_scon_spc = n_cracmm2\n NMGNSPC = n_cracmm2_spc\n CASE DEFAULT\n EFLAG = .TRUE.\n XMSG = \"Mechanism,\" // TRIM( MECHNAME ) \n & // \", is not identified.\"\n WRITE(LOGDEV,'(A)')TRIM( XMSG )\n ENDSELECT\n \n ALLOCATE ( MEGAN_NAMES(NMGNSPC), STAT = ios )\n ALLOCATE ( spmh_map(n_scon_spc), STAT = ios )\n ALLOCATE ( mech_map(n_scon_spc), STAT = ios )\n ALLOCATE ( conv_fac(n_scon_spc), STAT = ios )\n ALLOCATE ( mech_spc(NMGNSPC ), STAT = ios )\n ALLOCATE ( mech_mwt(NMGNSPC ), STAT = ios )\n \n SELECT CASE ( TRIM(MECHANISM) )\n \n CASE ('CB05')\n spmh_map(1:n_scon_spc) = spmh_map_cb05(1:n_scon_spc)\n mech_map(1:n_scon_spc) = mech_map_cb05(1:n_scon_spc)\n conv_fac(1:n_scon_spc) = conv_fac_cb05(1:n_scon_spc)\n mech_spc(1:NMGNSPC) = mech_spc_cb05(1:NMGNSPC)\n mech_mwt(1:NMGNSPC) = mech_mwt_cb05(1:NMGNSPC)\n MEGAN_NAMES(1:NMGNSPC) = mech_spc(1:NMGNSPC)\n CASE ('CB6')\n spmh_map(1:n_scon_spc) = spmh_map_cb6(1:n_scon_spc)\n mech_map(1:n_scon_spc) = mech_map_cb6(1:n_scon_spc)\n conv_fac(1:n_scon_spc) = conv_fac_cb6(1:n_scon_spc)\n mech_spc(1:NMGNSPC) = mech_spc_cb6(1:NMGNSPC)\n mech_mwt(1:NMGNSPC) = mech_mwt_cb6(1:NMGNSPC)\n MEGAN_NAMES(1:NMGNSPC) = mech_spc(1:NMGNSPC)\n CASE ('RACM2')\n spmh_map(1:n_scon_spc) = spmh_map_racm2(1:n_scon_spc)\n mech_map(1:n_scon_spc) = mech_map_racm2(1:n_scon_spc)\n conv_fac(1:n_scon_spc) = conv_fac_racm2(1:n_scon_spc)\n mech_spc(1:NMGNSPC) = mech_spc_racm2(1:NMGNSPC)\n mech_mwt(1:NMGNSPC) = mech_mwt_racm2(1:NMGNSPC)\n MEGAN_NAMES(1:NMGNSPC) = mech_spc(1:NMGNSPC)\n CASE ('SAPRC07')\n spmh_map(1:n_scon_spc) = spmh_map_saprc07(1:n_scon_spc)\n mech_map(1:n_scon_spc) = mech_map_saprc07(1:n_scon_spc)\n conv_fac(1:n_scon_spc) = conv_fac_saprc07(1:n_scon_spc)\n mech_spc(1:NMGNSPC) = mech_spc_saprc07(1:NMGNSPC)\n mech_mwt(1:NMGNSPC) = mech_mwt_saprc07(1:NMGNSPC)\n MEGAN_NAMES(1:NMGNSPC) = mech_spc(1:NMGNSPC)\n CASE ('SAPRC07T')\n spmh_map(1:n_scon_spc) = spmh_map_saprc07t(1:n_scon_spc)\n mech_map(1:n_scon_spc) = mech_map_saprc07t(1:n_scon_spc)\n conv_fac(1:n_scon_spc) = conv_fac_saprc07t(1:n_scon_spc)\n mech_spc(1:NMGNSPC) = mech_spc_saprc07t(1:NMGNSPC)\n mech_mwt(1:NMGNSPC) = mech_mwt_saprc07t(1:NMGNSPC)\n MEGAN_NAMES(1:NMGNSPC) = mech_spc(1:NMGNSPC)\n CASE ('CB6_ae7')\n spmh_map(1:n_scon_spc) = spmh_map_cb6_ae7(1:n_scon_spc)\n mech_map(1:n_scon_spc) = mech_map_cb6_ae7(1:n_scon_spc)\n conv_fac(1:n_scon_spc) = conv_fac_cb6_ae7(1:n_scon_spc)\n mech_spc(1:NMGNSPC) = mech_spc_cb6_ae7(1:NMGNSPC)\n mech_mwt(1:NMGNSPC) = mech_mwt_cb6_ae7(1:NMGNSPC)\n MEGAN_NAMES(1:NMGNSPC) = mech_spc(1:NMGNSPC)\n CASE ('CRACMM1')\n spmh_map(1:n_scon_spc) = spmh_map_cracmm1(1:n_scon_spc)\n mech_map(1:n_scon_spc) = mech_map_cracmm1(1:n_scon_spc)\n conv_fac(1:n_scon_spc) = conv_fac_cracmm1(1:n_scon_spc)\n mech_spc(1:NMGNSPC) = mech_spc_cracmm1(1:NMGNSPC)\n mech_mwt(1:NMGNSPC) = mech_mwt_cracmm1(1:NMGNSPC)\n MEGAN_NAMES(1:NMGNSPC) = mech_spc(1:NMGNSPC)\n CASE ('CRACMM2')\n spmh_map(1:n_scon_spc) = spmh_map_cracmm2(1:n_scon_spc)\n mech_map(1:n_scon_spc) = mech_map_cracmm2(1:n_scon_spc)\n conv_fac(1:n_scon_spc) = conv_fac_cracmm2(1:n_scon_spc)\n mech_spc(1:NMGNSPC) = mech_spc_cracmm2(1:NMGNSPC)\n mech_mwt(1:NMGNSPC) = mech_mwt_cracmm2(1:NMGNSPC)\n MEGAN_NAMES(1:NMGNSPC) = mech_spc(1:NMGNSPC)\n CASE DEFAULT \n EFLAG = .TRUE.\n XMSG = \"Mapping for Mechanism,\" // TRIM( MECHNAME )\n & // \", is unspecified.\"\n WRITE(LOGDEV,'(A)')TRIM( XMSG )\n ENDSELECT\n \n IF( EFLAG )THEN\n XMSG = 'Above Error(s) detected'\n CALL M3EXIT('MAP_MEGAN', 0, 0, XMSG, XSTAT1 )\n END IF\n\n\n End subroutine MEGAN_MAP\n END MODULE MEGAN_GSPRO\n" }, { "path": "CCTM/src/biog/megan3/megan_hrno_mod.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n MODULE MEGAN_HRNO_MOD\n\n CONTAINS\nC::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE MEGAN_HRNO( JDATE, JTIME, TSTEP, L_DESID_DIAG, PRECADJ)\n\nC-----------------------------------------------------------------------\nC Description:\nC Similar to HRNO.F, this module outputs hourly rainfall to\nC a soilout file at the end of the day. It also outputs LAI for daily \nC growth calculations that are needed by MEGAN, and hourly\nC shortwave radiation and 2m temperature for daily averaging.\nC Lastly, it calculates PRECADJ for use in megan_fx.f90. The \nC soil NO emissions are calculated in megan_fx.f90 and the YL95\nC implementation varies in minor ways from in BEIS. \nC There are three parts to this subroutine:\nC Part 1: keeping track of rainfall pulses\nC Part 2: calculating precadj\nC Part 3: writing to the soilout file\nC Please see documentation for more information. \nC-----------------------------------------------------------------------\n USE RUNTIME_VARS\n USE HGRD_DEFN ! horizontal domain specifications\n USE BIOG_EMIS, ONLY: NSEF ! beis\n USE ASX_DATA_MOD\n USE UTILIO_DEFN\n#ifndef mpas\n#ifdef parallel\n USE SE_MODULES ! stenex (using SE_UTIL_MODULE)\n#else\n USE NOOP_MODULES ! stenex (using NOOP_UTIL_MODULE)\n#endif\n#endif\n USE centralized_io_module\n\n IMPLICIT NONE\n \nC Includes:\n\nC Arguments:\n INTEGER, INTENT( IN ) :: JDATE ! current simulation date (YYYYDDD)\n INTEGER, INTENT( IN ) :: JTIME ! current simulation time (HHMMSS)\n INTEGER, INTENT( IN ) :: TSTEP( 3 ) ! time step vector (HHMMSS)\n LOGICAL, INTENT( IN ) :: L_DESID_DIAG\n REAL, INTENT( OUT ) :: PRECADJ( :,: ) ! output precip adjustment\n#ifdef mpas\n integer, save :: output_step, half_syn_step ! values are in seconds\n#endif\n\n\n\nC External Functions\n LOGICAL, EXTERNAL :: CHKGRID\n\nC Parameters:\n INTEGER, PARAMETER :: MXRHRS = 24 ! no. of rainfall hours for YL95 algorithm\n INTEGER, PARAMETER :: LSM_WATER = 14\n \nC Saturation values for 11 soil types from pxpbl.F (MCIP PX version)\nC In LSM_MOD:WSAT\nC Pleim-Xiu Land-Surface and PBL Model (PX-LSM)\nC See Jacquemin B. and Noilhan J. (1990), Bound.-Layer Meteorol., 52, 93-134.\n\nC Local Variables:\n\n CHARACTER( 16 ), SAVE :: MNAME ! logical name for MET_CRO_2D\n CHARACTER( 16 ), SAVE :: SOILINP ! logical name for input NO soil data\n CHARACTER( 16 ), SAVE :: SOILOUT = 'MEGAN_SOILOUT' ! logical name for output NO soil data\n CHARACTER( 33 ), SAVE :: DESCSTR = 'hrly cnv. & non-cnv. rainfall for'\n CHARACTER( 33 ), SAVE :: DESCSTRSW = 'hrly instantaneous rgrnd for'\n CHARACTER( 33 ), SAVE :: DESCSTRT2M = 'hrly instantaneous 2m temp for'\n CHARACTER( 33 ), SAVE :: DESCSTRLAI = 'LAI for day'\n\n\n CHARACTER( 16 ) :: VAR ! variable name\n\n INTEGER, SAVE :: IHR ! current simulation hour\n INTEGER NDX ! RAINFALL array timestep index\n\n\n REAL, ALLOCATABLE, SAVE :: C_RAINFALL ( :,: ) ! rainfall for current hour\n REAL, ALLOCATABLE, SAVE :: RNTOT ( :,: ) ! RN + RC\n INTEGER, SAVE :: RHOURS ! SOILINP(OUT) file no. of RAINFALL hour variables\n INTEGER, SAVE :: RDATE ! date to update rainfall\n INTEGER, SAVE :: RTIME ! time to update rainfall\n INTEGER, SAVE :: EDATE ! end scenario date\n INTEGER, SAVE :: ETIME ! end scenario time\n INTEGER, SAVE :: NDATE ! test date to update rainfall\n INTEGER, SAVE :: NTIME ! test time to update rainfall\n \n LOGICAL, SAVE :: INITIAL_DAY = .FALSE. ! true: 1st 24 hours; no previous data\n ! false: previous 24 hours of rainfall\n ! are available for HRNO\n\n INTEGER SOILCAT ! soil category\n INTEGER, SAVE :: MSTEPS ! run no. of steps\n INTEGER I, J, K, R, C, L ! counters\n INTEGER IOS ! IO or memory allocation status\n INTEGER, SAVE :: METSTEP ! met_cro_2d time step\n \n REAL FAC2\n\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n CHARACTER( 256 ) :: MESG ! message buffer\n CHARACTER( 16 ) :: PNAME = 'MEG_HRNO' ! procedure name\n\n#ifdef mpas\n integer :: io_mode\n CHARACTER( 20 ) :: time_stamp\n#endif\n\n LOGICAL, EXTERNAL :: FLUSH3\n\n\nC-----------------------------------------------------------------------------\nC--- Part 1: Keeping track of rainfall pulses\nC-----------------------------------------------------------------------------\n\n PRECADJ = 0.0\n\n IF ( FIRSTIME ) THEN\n! FIRSTIME = .FALSE.\n\nC Determine last timestamp\n EDATE = STDATE; ETIME = STTIME\n CALL NEXTIME( EDATE, ETIME, RUNLEN ) ! end date & time\n MSTEPS = TIME2SEC( RUNLEN ) / TIME2SEC( TSTEP( 1 ) )\n\n#ifdef mpas\n if (ncd_64bit_offset) then\n io_mode = ior (nf90_noclobber, nf90_64bit_offset)\n else\n io_mode = nf90_noclobber\n end if\n\n call mio_fcreate (SOILOUT, io_mode)\n METSTEP = TSTEP(3)\n\n output_step = time2sec(tstep(1))\n half_syn_step = time2sec(tstep(2)) / 2\n#else\n\nC Open met file\n MNAME = PROMPTMFILE(\n & 'Enter name for gridded met input file',\n & FSREAD3, 'MET_CRO_2D', PNAME )\n\nC Get description of met file\n IF ( .NOT. DESC3( MNAME ) ) THEN\n MESG = 'Could not get description of file \"'\n & // TRIM( MNAME ) // '\"'\n CALL M3EXIT( PNAME, JDATE, JTIME, MESG, XSTAT2 )\n END IF\n\n METSTEP = TSTEP3D\n\nC Check that grid description matches B3GRD file\n IF ( .NOT. CHKGRID( MNAME ) ) THEN\n MESG = 'Grid in file \"' // TRIM( MNAME )\n & // '\" does not match grid in file ' // TRIM( MNAME ) // '\"'\n#ifdef twoway\n CALL M3WARN( PNAME, 0, 0, MESG )\n#else\n CALL M3EXIT( PNAME, JDATE, JTIME, MESG, XSTAT2 )\n#endif\n END IF\n#endif\n\n ALLOCATE( RNTOT( NCOLS,NROWS ), STAT=IOS )\n CALL CHECKMEM( IOS, 'RNTOT', PNAME )\n\nC Initial run until a full 24 hours has been recorded on the SOIL(OUT/INP) file\nC for the Yienger and Levy algorithm\n WRITE( LOGDEV,'(/5X, A)' ) 'Temporal BEIS ...'\n RHOURS = MXRHRS\n\nC If initial run, initialize some variables, otherwise get them from file\n IF ( NEW_START .or. IGNORE_SOILINP ) THEN\n\n PULSEDATE = 0 ! array\n PULSETIME = 0 ! array\n PTYPE = 0 ! array\n\n END IF ! initial run\n\n ALLOCATE( C_RAINFALL( NCOLS,NROWS ), STAT=IOS )\n CALL CHECKMEM( IOS, 'RAINFALL', PNAME )\n C_RAINFALL = 0.0 ! array\n\n RDATE = STDATE; RTIME = STTIME\n! IHR = 0\n\n END IF ! FIRSTIME\n\nC Non-convective (RN) and convective (RC) rain is the total amount for the met\nC preprocessor's (typically MCIP) output timestep (typically one hour). It doesn't\nC make sense to time-interpolate these values, since rain generally does not fall\nC at a constant rate for an output timestep.\n IF ( .NOT. CURRSTEP( JDATE, JTIME, STDATE, STTIME, METSTEP,\n & NDATE, NTIME ) ) THEN\n MESG = 'Cannot get step date and time'\n CALL M3EXIT( PNAME, JDATE, JTIME, MESG, XSTAT3 )\n END IF\n\nC Store current time step rainfall totals\n IF ( NDATE .EQ. RDATE .AND. NTIME .EQ. RTIME ) THEN ! on the METSTEP\n\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n IHR = MOD( RTIME / 10000 + 23, 24 ) ! previous hour bin,\n ! to accommodate non-zero start hour\n END IF\n\nC For the first hour of the simulation day, use the previous 24 hour\nC data to compute precip adjustment\n\n NDX = 1 + MOD( IHR, MXRHRS )\n C_RAINFALL = C_RAINFALL + MET_DATA%RN + MET_DATA%RC\n WRITE( DDTTM( NDX ),'(I8,\":\",I6.6)' ) RDATE, RTIME\n\n#ifdef mpas\n call mio_time_format_conversion (ndate, ntime, time_stamp)\n#endif\n IF ( MOD( NTIME, 10000 ) .EQ. 0 ) THEN ! at the hourly mark\n RAINFALL( :,:,NDX ) = C_RAINFALL\n C_RAINFALL = 0.0\n HRNO_SW( :,:,NDX ) = MET_DATA%RGRND\n HRNO_T2M( :,:,NDX ) = MET_DATA%TEMP2\n IHR = IHR + 1\n#ifdef mpas\n call mio_fwrite ('MEGAN_SOILOUT', 'RAINFALL', pname,RAINFALL(:,1,ndx), time_stamp)\n call mio_fwrite ('MEGAN_SOILOUT', 'T24', pname, HRNO_T2M(:,1,ndx),time_stamp)\n call mio_fwrite ('MEGAN_SOILOUT', 'SW24', pname, HRNO_SW(:,1,ndx),time_stamp)\n#endif\n END IF\n\n! CALL NEXTIME( RDATE, RTIME, TSTEP( 1 ) )\n CALL NEXTIME( RDATE, RTIME, METSTEP )\n\n RNTOT = 0.0 ! array assignment\n IF ( NEW_START .or. IGNORE_SOILINP) THEN\n IF ( IHR .LT. MXRHRS ) THEN\n INITIAL_DAY = .TRUE.\n ELSE\n INITIAL_DAY = .FALSE.\n END IF\n ELSE ! store accumulated rain in RNTOT array\n DO I = 1, MXRHRS\n RNTOT = RNTOT + RAINFALL( :,:,I )\n END DO\n END IF\n\n write( logdev,* ) 'hrno - INITIAL_DAY, IHR: ', initial_day, ihr\n#ifdef verbose_hrno\n\n write( logdev,* ) 'hrno - INITIAL_DAY, IHR: ', initial_day, ihr\n#endif\n\n END IF ! on the METSTEP\n\n\nC-----------------------------------------------------------------------------\nC--- Part 2: CALCULATING PRECADJ\nC-----------------------------------------------------------------------------\n ! just calculate FAC2 always. MEGAN YL95 will work out if it's growseason\n\n DO R = 1, NROWS\n DO C = 1, NCOLS\n\n IF ( PX_LSM .OR. CLM_LSM .OR. NOAH_LSM ) THEN\n\n IF ( INITIAL_DAY ) THEN\n FAC2 = 1.0\n PTYPE( C,R ) = 0\n PULSEDATE( C,R ) = 0\n PULSETIME( C,R ) = 0\n ELSE\n FAC2 = PRECIP_ADJ_PX( JDATE, JTIME, RNTOT( C,R ),\n & MET_DATA%SOIM1( C,R ),\n & Grid_Data%WSAT( C,R ), PTYPE( C,R ), \n & PULSEDATE( C,R ), PULSETIME( C,R ) )\n PRECADJ( C,R) = FAC2\n END IF\n\n ELSE\n\n IF ( INITIAL_DAY ) THEN\n FAC2 = 1.0\n PTYPE( C,R ) = 0\n PULSEDATE( C,R ) = 0\n PULSETIME( C,R ) = 0\n ELSE\n FAC2 = PRECIP_ADJ( JDATE, JTIME, RNTOT( C,R ),\n & PTYPE( C,R ), PULSEDATE( C,R ),\n & PULSETIME( C,R ) )\n PRECADJ( C,R) = FAC2\n END IF\n\n END IF ! PX version check\n\n END DO ! columns\n END DO ! rows\n\nC-----------------------------------------------------------------------------\nC--- Part 3: Writing to soilout file\nC-----------------------------------------------------------------------------\n#ifdef mpas\n IF ( MOD((TIME2SEC( JTIME ) - half_syn_step), output_step) .EQ. 0 .and. .not. l_desid_diag) then\n ! at the hourly mark\n ! continue to write\n else\n RETURN\n end if\n#else\n IF ( SECSDIFF( JDATE,JTIME, EDATE,ETIME ) .GT. TIME2SEC( TSTEP( 2 ) ) .OR. L_DESID_DIAG ) RETURN\n#endif\n\n\nC Create rain data file for soil NO\n\nC Final timestamp\n NDATE = EDATE; NTIME = ETIME\n\n#ifndef mpas\n\nC Build description for, and create/open soil NO emissions output file\n FTYPE3D = GRDDED3\n SDATE3D = NDATE\n STIME3D = NTIME\n TSTEP3D = 0 ! make it a time-independent file\n NCOLS3D = GL_NCOLS\n NROWS3D = GL_NROWS\n NLAYS3D = 1\n NVARS3D = 52 + RHOURS\n MXREC3D = 1\n NTHIK3D = 1\n GDTYP3D = GDTYP_GD\n P_ALP3D = P_ALP_GD\n P_BET3D = P_BET_GD\n P_GAM3D = P_GAM_GD\n XORIG3D = XORIG_GD\n YORIG3D = YORIG_GD\n XCENT3D = XCENT_GD\n YCENT3D = YCENT_GD\n XCELL3D = XCELL_GD\n YCELL3D = YCELL_GD\n VGTYP3D = VGTYP_GD\n VGTOP3D = VGTOP_GD\n DO L = 1, NLAYS3D + 1\n VGLVS3D( L ) = VGLVS_GD( L )\n END DO\n GDNAM3D = GRID_NAME ! from HGRD_DEFN\n\n VNAME3D = ' '\n VNAME3D( 1 ) = 'PTYPE'\n VNAME3D( 2 ) = 'PULSEDATE'\n VNAME3D( 3 ) = 'PULSETIME'\n\n DO I = 1, RHOURS\n WRITE( VAR, '(A8,I2.2)' ) 'RAINFALL', I\n VNAME3D( I+3 ) = VAR\n WRITE( VAR, '(A2,I2.2)' ) 'SW', I\n VNAME3D( I+27 ) = VAR\n WRITE( VAR, '(A3,I2.2)' ) 'T2M', I\n VNAME3D( I+51 ) = VAR\n END DO\n\n VNAME3D( 52+RHOURS ) = 'LAI'\n\n UNITS3D = ' '\n UNITS3D( 1 ) = 'INTEGER'\n UNITS3D( 2 ) = 'YYYYDDD'\n UNITS3D( 3 ) = 'HHMMSS'\n UNITS3D( 4:RHOURS+3 ) = 'cm'\n\n VDESC3D( 1 ) = 'NO emission pulse type'\n VDESC3D( 2 ) = 'CMAQ starting date for NO emission pulse'\n VDESC3D( 3 ) = 'CMAQ starting time for NO emission pulse'\n VDESC3D( 4:RHOURS+3 ) = 'hourly convective and non-convective rainfall'\n DO I = 1, RHOURS\n VDESC3D( I+3 ) = DESCSTR // DDTTM( I )\n VDESC3D( I+27 ) = DESCSTRSW // DDTTM( I )\n VDESC3D( I+51 ) = DESCSTRT2M // DDTTM( I )\n END DO\n VDESC3D( I+52 ) = DESCSTRLAI\n\n VTYPE3D = 0\n VTYPE3D( 1 ) = M3INT\n VTYPE3D( 2 ) = M3INT\n VTYPE3D( 3 ) = M3INT\n VTYPE3D( 4:RHOURS+52 ) = M3REAL\n\n FDESC3D = ' '\n FDESC3D( 1 ) = 'Gridded rainfall data for soil NO emissions'\n FDESC3D( 2 ) = '/From/ ' // PNAME\n FDESC3D( 3 ) = '/Version/ CMAQ'\n\nC Open NO rain data save file\n IF ( IO_PE_INCLUSIVE ) THEN\n IF ( .NOT. OPEN3( SOILOUT, FSNEW3, PNAME ) ) THEN\n MESG = 'Could not open \"' // TRIM( SOILOUT ) // '\" file'\n CALL M3EXIT( PNAME, JDATE, JTIME, MESG, XSTAT1 )\n END IF\n END IF\n\n#ifdef parallel_io\n IF ( IO_PE_INCLUSIVE ) THEN\n IF ( .NOT. FLUSH3 ( SOILOUT ) ) THEN\n MESG = 'Could not sync to disk ' // TRIM( SOILOUT )\n CALL M3EXIT( PNAME, JDATE, JTIME, MESG, XSTAT2 )\n END IF\n END IF\n CALL SE_BARRIER\n IF ( .NOT. IO_PE_INCLUSIVE ) THEN\n IF ( .NOT. OPEN3( SOILOUT, FSREAD3, PNAME ) ) THEN\n MESG = 'Could not open ' // TRIM( SOILOUT )\n CALL M3EXIT( PNAME, JDATE, JTIME, MESG, XSTAT2 )\n END IF\n END IF\n#endif\n\nC Write soil NO rain data file\n\n VAR = 'PTYPE'\n IF ( .NOT. WRITE3( SOILOUT, VAR, NDATE, NTIME, PTYPE ) ) THEN\n MESG = 'Could not write \"' // TRIM( VAR ) //\n & '\" to file \"' // TRIM( SOILOUT ) // '\"'\n CALL M3EXIT( PNAME, JDATE, JTIME, MESG, XSTAT2 )\n END IF\n\n VAR = 'PULSEDATE'\n IF ( .NOT. WRITE3( SOILOUT, VAR, NDATE, NTIME, PULSEDATE ) ) THEN\n MESG = 'Could not write \"' // TRIM( VAR ) //\n & '\" to file \"' // TRIM( SOILOUT ) // '\"'\n CALL M3EXIT( PNAME, JDATE, JTIME, MESG, XSTAT2 )\n END IF\n\n VAR = 'PULSETIME'\n IF ( .NOT. WRITE3( SOILOUT, VAR, NDATE, NTIME, PULSETIME ) ) THEN\n MESG = 'Could not write \"' // TRIM( VAR ) //\n & '\" to file \"' // TRIM( SOILOUT ) // '\"'\n CALL M3EXIT( PNAME, JDATE, JTIME, MESG, XSTAT2 )\n END IF\n\n NDX = 1 + MOD( IHR, MXRHRS )\n RAINFALL( :,:,NDX ) = C_RAINFALL\n DO I = 1, RHOURS\n WRITE( VAR, '(A8,I2.2)' ) 'RAINFALL', I\n IF ( .NOT. WRITE3( SOILOUT, VAR, NDATE, NTIME, RAINFALL( :,:,I ) ) ) THEN\n MESG = 'Could not write \"' // TRIM( VAR ) //\n & '\" to file \"' // TRIM( SOILOUT ) // '\"'\n CALL M3EXIT( PNAME, JDATE, JTIME, MESG, XSTAT2 )\n END IF\n WRITE( VAR, '(A2,I2.2)' ) 'SW', I\n IF ( .NOT. WRITE3( SOILOUT, VAR, NDATE, NTIME, HRNO_SW( :,:,I ) ) ) THEN\n MESG = 'Could not write \"' // TRIM( VAR ) //\n & '\" to file \"' // TRIM( SOILOUT ) // '\"'\n CALL M3EXIT( PNAME, JDATE, JTIME, MESG, XSTAT2 )\n END IF\n WRITE( VAR, '(A3,I2.2)' ) 'T2M', I\n IF ( .NOT. WRITE3( SOILOUT, VAR, NDATE, NTIME, HRNO_T2M( :,:,I ) ) ) THEN\n MESG = 'Could not write \"' // TRIM( VAR ) //\n & '\" to file \"' // TRIM( SOILOUT ) // '\"'\n CALL M3EXIT( PNAME, JDATE, JTIME, MESG, XSTAT2 )\n END IF\n END DO\n\n IF ( .NOT. WRITE3( SOILOUT, 'LAI', NDATE, NTIME, Met_data%LAI )) THEN\n MESG = 'Could not write \"' // TRIM( VAR ) //\n & '\" to file \"' // TRIM( SOILOUT ) // '\"'\n CALL M3EXIT( PNAME, JDATE, JTIME, MESG, XSTAT2 )\n END IF\n\n#else\n ! write MPAS end of day variables ==jwilliso\n call mio_fwrite ('MEGAN_SOILOUT', 'PTYPE', pname,PTYPE(:,1),time_stamp)\n call mio_fwrite ('MEGAN_SOILOUT', 'PULSEDATE', pname, PULSEDATE(:,1),time_stamp)\n call mio_fwrite ('MEGAN_SOILOUT', 'PULSETIME', pname, PULSETIME(:,1),time_stamp)\n call mio_fwrite ('MEGAN_SOILOUT', 'LAI', pname,Met_data%LAI(:,1),time_stamp)\n#endif\n\n WRITE( LOGDEV,94040 )\n & 'Timestep written to', SOILOUT,\n & 'for date and time', NDATE, NTIME\n\n RETURN\n\n94010 FORMAT( A, F10.2, 1X, A, I3, ',', I3 )\n94040 FORMAT( /5X, 3( A, :, 1X ), I8, \":\", I6.6 )\n\nC-----------------------------------------------------------------------\n\n CONTAINS\n\n REAL FUNCTION PRECIP_ADJ_PX( JDATE, JTIME, RAIN, SOILM, WSAT,\n & PTYPE, PULSEDATE, PULSETIME )\n\nC-----------------------------------------------------------------------\n \nC Description:\n \nC Compute precipitation adjustment factor for estimate of NO emissions \nC Uses: julian day, time, soil moisture\nC Requires the use of three arrays that are re-used each time step:\nC PTYPE, PULSEDATE, PULSETIME \nC These arrays store the type of NO pulse initiated by the rainfall\nC and the starting date and time of the pulse.\n \nC Preconditions:\nC Soil Moisture current time, Soil Moisture previous time,\nC Soil type, Land Use, PTYPE, PULSEDATE, PULSETIME \n \nC Subroutines and Functions Called:\nC precipfact - computes precip adjustment factor from rainrate and time\nC since pulse initiation\nC pulsetype - determines type & duration of NO emission pulse from rainrate\n \nC Revision History:\nC 11/01 : Prototype by GAP\nC 3/05 : create separate functions for PX vs non-PX versions\nC 1/10 : J.Young - restructure\nC 7/31/19 J. Pleim : Corrected Soil Types and Simplified Code\nC-----------------------------------------------------------------------\n\n USE UTILIO_DEFN\n\n IMPLICIT NONE\n\nC Function arguments:\n INTEGER, INTENT( IN ) :: JDATE, JTIME\n REAL, INTENT( IN ) :: RAIN\n REAL, INTENT( IN ) :: SOILM ! only avilable if PX version\n REAL, INTENT( IN ) :: WSAT ! only tested for PX and CLM versions \n INTEGER, INTENT( INOUT ) :: PTYPE ! pulse type\n INTEGER, INTENT( INOUT ) :: PULSEDATE ! date of pulse start\n INTEGER, INTENT( INOUT ) :: PULSETIME ! date of pulse end\n\nC External functions:\n \nC Parameters:\n REAL, PARAMETER :: SAT_THRES = 0.95\n\nC Local variables:\n INTEGER SOILCAT ! soil type category\n INTEGER PTYPE_TEST\n\nC-----------------------------------------------------------------------\n\nC Summary of algorithm\nC 1. compute rate of change of soil moisture from soil moisture\nC 2. estimate rainrate from soil moisture and soil moisture rate\nC 3. compute adjustment using pulsetype, rainrate, ptype, and date/time\nC if stronger NO pulse compared to previous time step, then\nC start a new NO emission pulse,\nC otherwise continue present NO pulse\nC 4. override adjustment for saturated soils \n\n SOILCAT = GRID_DATA%SLTYP( C,R )\n IF ( SOILCAT .NE. LSM_WATER ) THEN \n IF ( SOILM .GE. SAT_THRES * WSAT ) THEN\n PRECIP_ADJ_PX = 0.0\n ELSE\n PTYPE_TEST = PULSETYPE( RAIN )\n IF ( PTYPE_TEST .GT. PTYPE ) THEN ! Rainfall class type increases\n PULSEDATE = JDATE ! (NO emission pulse generated)\n PULSETIME = JTIME\n PTYPE = PTYPE_TEST\n END IF\n PRECIP_ADJ_PX = PRECIPFAC( JDATE, JTIME, PULSEDATE, PULSETIME, PTYPE )\n END IF\n ELSE\n PRECIP_ADJ_PX = 0.0\n END IF\n\n RETURN\n \n END FUNCTION PRECIP_ADJ_PX\n \nC-----------------------------------------------------------------------\n\n REAL FUNCTION PRECIP_ADJ( JDATE, JTIME, RAIN,\n & PTYPE, PULSEDATE, PULSETIME )\n\nC-----------------------------------------------------------------------\nC Description:\n \nC Compute precipitation adjustment factor for estimate of NO emissions \nC Uses: julian day, time, soil moisture\nC Requires the use of three arrays that are re-used each time step:\nC PTYPE, PULSEDATE, PULSETIME \nC These arrays store the type of NO pulse initiated by the rainfall\nC and the starting date and time of the pulse.\n \nC Preconditions:\nC Soil Moisture current time, Soil Moisture previous time,\nC Soil type, Land Use, PTYPE, PULSEDATE, PULSETIME \n \nC Subroutines and Functions Called:\nC precipfact - computes precip adjustment factor from rainrate and time\nC since pulse initiation\nC pulsetype - determines type & duration of NO emission pulse from rainrate\n \nC Revision History:\nC 11/01 : Prototype by GAP\nC 3/05 : created a non-PX version of this function \nC 1/10 : J.Young - restructure\n \nC-----------------------------------------------------------------------\n\n USE UTILIO_DEFN\n\n IMPLICIT NONE\n\nC Function arguments:\n INTEGER, INTENT( IN ) :: JDATE, JTIME\n REAL, INTENT( IN ) :: RAIN\n INTEGER, INTENT( INOUT ) :: PTYPE ! pulse type\n INTEGER, INTENT( INOUT ) :: PULSEDATE ! date of pulse start\n INTEGER, INTENT( INOUT ) :: PULSETIME ! time of pulse start\n\nC External functions:\n\nC Local variable\n INTEGER PTYPE_TEST\n\nC-----------------------------------------------------------------------\n\nC Summary of algorithm\nC 1. if no rainfall or new rainfall class less than current one, continue\nC existing NO emission pulse\nC 2. if new rainfall that increases rainfall class, then create new NO\nC emission pulse using pulsetype, rainrate, ptype, and date/time -\nC if stronger NO pulse compared to previous time step, then start\nC a new NO emission pulse\n\n PTYPE_TEST = PULSETYPE( RAIN )\n IF ( PTYPE_TEST .GT. PTYPE ) THEN ! Rainfall class type increases\n PULSEDATE = JDATE ! (NO emission pulse generated)\n PULSETIME = JTIME\n PTYPE = PTYPE_TEST\n END IF\n\n PRECIP_ADJ = PRECIPFAC( JDATE, JTIME, PULSEDATE, PULSETIME, PTYPE )\n\n RETURN\n \n END FUNCTION PRECIP_ADJ\n\nC-----------------------------------------------------------------------\n\n REAL FUNCTION PRECIPFAC( JDATE, JTIME, PDATE, PTIME, PTYPE )\n\nC Compute a precipitation adjustment factor from a previous 24 hour rainfall\nC based on YL 1995\nC The pulse type is an integer ranging from 0 to 3 indicating the type of\nC rainfall rate:\nC If rainfall < 0.1 cm in last 24 hr, \"reset\"\nC Else if rainfall < 0.5 cm in last 24 hr, and time since last pulse is .ge. 2 days,\nC reset; else, precipfact=11.19*...\nC Else if rainfall < 1.5 cm in last 24 hr, and time since last pulse is .ge. 6 days,\nC reset; else, precipfact=14.68*...\nC Else if rainfall >=1.5 cm in last 24 hr, and time since last pulse is .ge. 13 days,\nC reset; else, precipfact=18.46*...\n\n USE UTILIO_DEFN\n\n IMPLICIT NONE\n \nC Function arguments:\n INTEGER, INTENT( IN ) :: JDATE, JTIME, PDATE, PTIME\n INTEGER, INTENT( INOUT ) :: PTYPE\n \nC External functions:\n\nC Parameters:\n REAL, PARAMETER :: DAYPERSEC = 1.0 / ( 24.0 * 3600.0 ) ! = 0.000011574074074\n\nC Local variables:\n REAL DAYDIFF, DAYDIF1\n \nC-----------------------------------------------------------------------\n\n DAYDIFF = FLOAT( SECSDIFF( PDATE, PTIME, JDATE, JTIME ) ) * DAYPERSEC\n DAYDIF1 = DAYDIFF + 1.0\n \n SELECT CASE( PTYPE )\n CASE( 0 )\n PRECIPFAC = 1.0\n CASE( 1 )\n IF ( ( DAYDIFF ) .LT. 2.0 ) THEN\n PRECIPFAC = 11.19 * EXP( -0.805 * DAYDIF1 )\n ELSE\n PTYPE = 0\n PRECIPFAC = 1.0\n END IF\n CASE( 2 )\n IF ( ( DAYDIFF ) .LT. 6.0 ) THEN\n PRECIPFAC = 14.68 * EXP( -0.384 * DAYDIF1 )\n ELSE\n PTYPE = 0\n PRECIPFAC = 1.0\n END IF\n CASE( 3 )\n IF ( ( DAYDIFF ) .LT. 13.0 ) THEN\n PRECIPFAC = 18.46 * EXP( -0.208 * DAYDIF1 )\n ELSE\n PTYPE = 0\n PRECIPFAC = 1.0\n END IF\n CASE DEFAULT\n WRITE( MESG,'( A, I6 )' ) 'Invalid Pulse Type specified ',\n & PTYPE\n CALL M3EXIT( PNAME, 0, 0, MESG, 2 )\n END SELECT\n \n RETURN\n \n END FUNCTION PRECIPFAC\n \nC-----------------------------------------------------------------------\n\n INTEGER FUNCTION PULSETYPE( RAIN )\n\nC Compute the pulse type from the rainfall rate (see YL 1995).\n\n IMPLICIT NONE\n \nC Function arguments\n REAL, INTENT( IN ) :: RAIN ! [cm/24hr]\n \nC-----------------------------------------------------------------------\n\n IF ( RAIN .LT. 0.1 ) THEN\n PULSETYPE = 0\n ELSE IF ( RAIN .LT. 0.5 ) THEN\n PULSETYPE = 1\n ELSE IF ( RAIN .LT. 1.5 ) THEN\n PULSETYPE = 2\n ELSE\n PULSETYPE = 3\n END IF\n \n RETURN\n \n END FUNCTION PULSETYPE\n\nC-----------------------------------------------------------------------\n\n END SUBROUTINE MEGAN_HRNO\n\n END MODULE MEGAN_HRNO_MOD\n" }, { "path": "CCTM/src/cio/centralized_io_module.F", "content": "!------------------------------------------------------------------------! \n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n!------------------------------------------------------------------------!\n! This module contains essential data structure and functions for\n! centralized I/O implementation\n\n! Revision History:\n! 02/01/19, D. Wong: initial implementation\n! 02/11/19, D. Wong: Updated to accommodate STAGE option\n! 03/06/19, D. Wong: fixed a bug to handle 3D emission data structure\n! correctly and fixed a bug to deal with the case of\n! ABFLUX turned off\n! 04/01/19, D. Wong: -- enhanced robustness to handle time independent or \n! dependent boundary condition file\n! -- used two different CPP flags, m3dry_opt and stage_opt\n! to distinguish these two deposition options\n! -- reorganized the code to read in certain files when\n! they are available as well as based on environmental \n! variable setting\n! 05/02/19, D. Wong: -- added a logic to call soilinp_setup when BIOGEMIS is true\n! 05/03/19, D. Wong: -- reorganized the flow of reading in LUS data\n! 05/06/19, D. Wong: -- added a new logic to read in INIT_MEDC_1 when it is not NEW_START\n! 05/07/19, D. Wong: -- removed duplicated array allocation for NH4ps1 and NH4ps2\n! 05/13/19, D. Wong: -- expanded implementation to hanndle ISAM model\n! 05/15/19, D. Wong: -- used USE_MARINE_GAS_EMISSION variable defined in RUNTIME_VAR.F \n! to turn on a block of code related to marine gas emssion\n! 06/18/19, D. Wong: -- modified cio implementation to handle:\n! * emission file date is differ from simulation date\n! * region files for scaling purposes\n! 06/19/19, D. Wong: -- fixed a bug in the EMIS regions subroutine\n! 07/08/19, F. Sidi: -- Renamed E2C_FERT -> E2C_CHEM & BELD4_LU -> E2C_LU\n! 07/09/19, T. Spero: -- Changed file for fractional land use from\n! GRIDCRO2D to LUFRAC_CRO. Allow backward\n! compatibility.\n! 07/17/19, R. Gilliam:- Removed the FPAR file call for windblow dust. MCIP VEG is used.\n! 08/12/19, F. Sidi: -- Allowed lus_setup to use fractional land use from\n! GRIDCRO2D or LUFRAC_CRO. Allows backward compatibility.\n! 08/01/19, D. Wong:- Made modification so centralized I/O works with two-way model\n! - used new variable type descriptor\n! 09/10/19, D. Wong:- Extended to handle BC file with non 1-hr time step\n! 09/19/19, D. Wong:- Used the start simulation time to pick up the very first emission \n! data point rather than the start time in the emission file\n! 09/20/19, D. Wong:- Extended the capability to handle 3D emission files with various\n! number of layers less than of equal to the model number of layers\n! 10/04/19, D. Wong:- fixed the time advancement, NEXTIME, for a multi-day run\n! 11/22/19, F. Sidi:- Updated cio with new algorithm (developed by D. Wong) \n! to enable running CMAQ with different files having\n! different time steps, cleaned up code no longer needed\n! & two-way model bugfixes\n! 01/30/20, D. Wong:- fixed IC file interpolation time stamp issue by bypassing the\n! check whether the new request falls within the circular buffer\n! for IC variable which only has one time step of data.\n! 02/10/20, F. Sidi:- Changed file_tstep from tstep3d to met_tstep an environment\n! variable the flexlible allows users to toggle the temporal\n! frequency of their input meterology.\n! 03/05/20, D. Wong: Expanded CIO functionalities to MPAS as well\n! 07/24/20, D. Wong: Fixed a bug, the code did not handle calling NEXTIME properly in\n! an extreme case, i.e. simulation runs in a hourly basis, in the\n! retrieve_boundary_data subroutine.\n! 08/06/20, D. Wong:- fixed excessive reading of time independent boundary file data\n! 02/23/21, D. Wong:- used KZMIN setting to determine reading in PURB or not\n! 03/23/21. D. Wong:- modified code to accommodate a flexibility to allow each input \n! can have different XORIG and YORIG settings than the simulation\n! domain if it can be overlapped with the simulation domain \n! perfectly w.r.t. domain resolution\n! 11/17/21, G. Sarwar: Changed minimum values from 0.0 to 0.001 for ocean and szone \n! to ensure values are nonnegative and greater than 0.001\n! 01/17/22, D. Wong: Added SAVE attribute to variable FIRSTIME\n! 03/31/22, J. Willison: Removed wb_dust_setup and modified lus_setup to remove\n! BELD as an option for desert land information. \n! 04/12/22, G. Sarwar: Revised to include \"DMS\" into cb6r5_ae7_aq \n!------------------------------------------------------------------------!\n\n!------------------------------------------------------------------------!\n! Variable type notation:\n! 'mc2' denote met cro 2d variable\n! 'mc3' denote 3d variable\n! 'md3' denote dot variable\n! 'wb' denote wind blown dust\n! 'ic' denote initial condition variable\n! 'is' denote ISAM initial condition variable\n! 'e2d' denote emission 2d variable\n! 'e3d' denote emission 3d variable\n! 'lnt' denote lightning variable\n! 'mb' denote met 3D boundary variable\n! 'bct' denote time dependent 3D boundary variable\n! 'bc' denote time independent 3D boundary variable\n!------------------------------------------------------------------------!\n\n MODULE CENTRALIZED_IO_MODULE\n\n use RUNTIME_VARS, only : LTNG_NO, STDATE, STTIME, ABFLUX, MOSAIC, \n & NPTGRPS, USE_MARINE_GAS_EMISSION, logdev,\n & CONVECTIVE_SCHEME, EMIS_SYM_DATE\n use CENTRALIZED_IO_UTIL_MODULE\n use get_env_module \n USE UTILIO_DEFN\n#ifdef mpas\n use coupler_module\n use mio_module\n#endif\n\n implicit none\n\n integer, parameter :: max_nfiles = 500\n\n character (20), parameter :: biogemis_fname = 'BEIS_NORM_EMIS'\n\n! to recognize the time step in each file could be different, in the new revised \n! implementation will address that and here is the algorithm. When open a new file, \n! n_opened_file will be incremented by one to keep track of how many have been \n! opened. Each file has a unique f_name except met files which will be shared with \n! one f_met since their tsteps should be the same. Then n_opened_file is assigned \n! to an opened time dependent file (defined below) and time information will be \n! stored accordingly.\n\n integer :: n_opened_file = 0\n integer :: f_met, f_ltng, f_bcon, f_icon, f_is_icon, f_mbiog\n integer, allocatable :: f_emis(:), f_stk_emis(:)\n\n integer :: file_sdate(max_nfiles) = -1\n integer :: file_stime(max_nfiles) = -1\n integer :: file_tstep(max_nfiles) = -1\n real*8 :: file_xcell(max_nfiles) = 0.0d0\n real*8 :: file_ycell(max_nfiles) = 0.0d0\n logical :: file_sym_date(max_nfiles) \n\n CHARACTER( 40 ), parameter :: NLDN_STRIKES = 'NLDN_STRIKES'\n CHARACTER( 40 ), parameter :: ICFILE = 'INIT_CONC_1'\n CHARACTER( 40 ), parameter :: BCFILE = 'BNDY_CONC_1'\n CHARACTER( 40 ), parameter :: ISAM_PREVDAY = 'ISAM_PREVDAY'\n\n! time independent data\n real, allocatable :: MSFX2(:,:), ! from GRID_CRO_2D data\n & LWMASK(:,:), ! from GRID_CRO_2D data\n & HT(:,:), ! from GRID_CRO_2D data\n & LAT(:,:), ! from GRID_CRO_2D data\n & LON(:,:), ! from GRID_CRO_2D data\n & PURB(:,:), ! from GRID_CRO_2D data\n & LUFRAC(:,:,:), ! from LUFRAC_CRO data\n & SOILCAT_A(:,:), ! from MET_CRO_2D\n & MSFD2(:,:), ! from GRID_DOT_2D data\n & X3HT0M(:,:), ! from GRID_CRO_3D data\n & X3HT0F(:,:), ! from GRID_CRO_3D data\n & ocean(:,:), ! from OCEAN data\n & szone(:,:), ! from OCEAN data\n & chlr(:,:), ! from OCEAN data\n & dmsl(:,:), ! from OCEAN data\n & OCEAN_MASK(:,:), ! from LTNG parameter data\n & SLOPE(:,:), ! from LTNG parameter data\n & INTERCEPT(:,:), ! from LTNG parameter data\n & SLOPE_lg(:,:), ! from LTNG parameter data\n & INTERCEPT_lg(:,:), ! from LTNG parameter data\n & ICCG_SUM(:,:), ! from LTNG parameter data\n & ICCG_WIN(:,:), ! from LTNG parameter data\n & AVGEMIS(:,:,:,:), ! from BIOGEMIS data\n & GROWAGNO(:,:), ! from BEIS_NORM_EMIS data\n & NGROWAGNO(:,:), ! from BEIS_NORM_EMIS data\n & NONAGNO(:,:), ! from BEIS_NORM_EMIS data\n & RAINFALL(:,:,:), ! from SOILINP data\n & HRNO_SW(:,:,:), ! from SOILINP data\n & HRNO_T2M(:,:,:), ! from SOILINP data\n & LDF(:,:,:), ! from MEGANMAP data\n & LAI_M(:,:,:), ! from MEGANMAP data\n & EFMAPS(:,:,:), ! from MEGANMAP data\n & CTF(:,:,:), ! from MEGANMAP data\n & BDSNP_NDEP(:,:,:), ! from MEGAN_BDSNP data\n & BDSNP_FERT(:,:), ! from MEGAN_BDSNP data\n & DRYPERIOD(:,:), ! from BDSNPINP data\n & NDEPRES(:,:), ! from BDSNPINP data\n & NDEPRATE(:,:), ! from BDSNPINP data\n & PFACTOR(:,:), ! from BDSNPINP data\n & SOILMPREV(:,:), ! from BDSNPINP data\n & T24y(:,:), ! from MEGAN_SOILINP data\n & SW24y(:,:), ! from MEGAN_SOILINP data\n & lai_y(:,:) ! from MEGAN_SOILINP data\n\n\n integer, allocatable :: PTYPE(:,:), ! from SOILINP data\n & PULSEDATE(:,:), ! from SOILINP data\n & PULSETIME(:,:), ! from SOILINP data\n & BDSNP_LANDTYPE(:,:), ! from MEGAN_BDSNP data\n & BDSNP_ARID(:,:), ! from MEGAN_BDSNP data\n & BDSNP_NONARID(:,:) ! from MEGAN_BDSNP data\n\n character( 16 ), allocatable :: DDTTM( : ) ! for SOILINP data, description date and time\n\n! time dependent data: \n! gridded \n integer :: n_grid_cro_data_vars\n integer :: n_cio_grid_vars\n real, allocatable :: cio_grid_data(:)\n character (24), allocatable :: cio_grid_var_name(:,:) ! stores variable name, variable type and met variable \n ! or not information for each variable\n integer, allocatable :: cio_grid_data_inx (:,:,:),\n & head_grid(:), tail_grid(:), ! head and tail of the gridded data circular buffer\n & cio_grid_data_tstamp(:,:,:)\n\n character (16) :: cio_dust_land_scheme\n character (20), allocatable :: cio_mpas_grid_data_tstamp(:,:)\n\n! boundary data\n integer :: n_cio_bndy_vars, n_cio_bc_file_vars\n real, allocatable :: cio_bndy_data(:)\n character (16), allocatable :: cio_bndy_var_name(:,:), cio_bc_file_var_name(:)\n integer, allocatable :: cio_bndy_data_inx (:,:,:),\n & head_bndy(:), tail_bndy(:), ! head and tail of the boundary data circular buffer\n & cio_bndy_data_tstamp(:,:,:)\n\n! emission data\n! - gridded emission data\n character (16), allocatable :: cio_emis_file_name(:),\n & cio_emis_var_name(:,:)\n integer, allocatable :: cio_emis_file_loc(:)\n integer, allocatable :: cio_emis_nvars(:)\n integer, allocatable :: cio_emis_file_layer(:)\n integer, allocatable :: cio_emis_file_startcol(:)\n integer, allocatable :: cio_emis_file_endcol(:)\n integer, allocatable :: cio_emis_file_startrow(:)\n integer, allocatable :: cio_emis_file_endrow(:)\n integer :: cio_emis_nlays ! max value among cio_emis_file_layer\n\n! this is for MPAS only\n integer, allocatable :: num_dist_layers(:,:) ! number of layers in MPAS grid has re-distributed emission data\n real, allocatable :: dist_frac(:,:,:) ! calculated layer distribution fraction\n real, allocatable :: emis_file_layer_frac(:,:) ! given layer faction information\n integer :: mpas_tstep ! this is assigned in CMAQ_DRIVER\n\n! - stack emission data\n real, allocatable :: cio_stack_data(:)\n character (16), allocatable :: cio_stack_file_name(:),\n & cio_stack_var_name(:,:),\n & STKGNAME( : ), ! stack groups file name\n & cio_mpas_stack_emis_timestamp(:) ! for MPAS only\n\n integer, allocatable :: n_cio_stack_emis_vars(:),\n & cio_stack_file_loc(:),\n & n_cio_stack_emis_lays(:),\n & n_cio_stack_emis_pts(:),\n & cio_stack_emis_data_inx (:,:,:,:),\n & head_stack_emis(:,:), tail_stack_emis(:,:), ! head and tail of the stack emis data circular buffer\n & cio_stack_emis_data_tstamp(:,:,:,:)\n\n integer :: modis_data_sdate ! modis dust data start date\n\n integer :: cio_model_sdate, \n & cio_model_stime ! model start date and time\n\n logical, private :: cio_LTNG_NO \n\n real :: CONVPA ! Pressure conversion factor file units to Pa \n Real :: P0 ! reference pressure (100000.0 Pa) for Potential Temperature,\n ! note that in meteorology they do not use the SI 1 ATM. \n\n! availability of various variable\n logical :: CFRAC_3D_AVAIL = .true., ! CFRAC_3D is available or not\n & PV_AVAIL = .false., ! Potential Vorticity is available or not\n & TSEASFC_AVAIL = .false., ! SST is available or not\n & WSPD10_AVAIL, ! WSPD10 is available or not\n & UWINDC_AVAIL, ! UWINDC is available in DOT file or not\n & VWINDC_AVAIL, ! VWINDC is available in DOT file or not\n & QG_AVAIL = .true., ! flag for QG available in MET_CRO_3D\n & QI_AVAIL, ! flag for QI available in MET_CRO_3D\n & QS_AVAIL, ! flag for QS available in MET_CRO_3D\n & QC_AVAIL = .true., ! flag for QC and it is always set to .true.\n & JACOBF_AVAIL, ! flag for JACOBF available in MET_CRO_3D\n & RNA_AVAIL = .false., ! flag for RNA available in MET_CRO_2D\n & RCA_AVAIL = .false., ! flag for RCA available in MET_CRO_2D\n & RA_RS_AVAIL = .true., ! flag for RA and RS available in MET_CRO_2D\n & Q2_AVAIL = .true., ! flag for Q2, two meter mixing ratio available in MET_CRO_2D\n & LH_AVAIL, ! flag for LH, two meter mixing ratio available in MET_CRO_2D\n & HAS_SEAICE, ! flag for SEAICE in MET_CRO_2D\n & WR_AVAIL = .true., ! flag for WR, canopy wetness available in MET_CRO_2D\n & MEDC_AVAIL = .true., ! file INIT_MEDC_1 is available\n & E2C_CHEM_AVAIL = .true., ! file E2C_CHEM is available\n & GMN_AVAIL = .false., ! variable GMN available in E2C_CHEM or not\n & LUCRO_AVAIL, ! file LUFRAC_CRO is available\n & PXSOIL_AVAIL ! flag for WRFv4.1+ PX LSM soil extras in MET_CRO_2D\n\n! Met data is large enough to cover boundary and no MET_BDY_3D will be used\n logical :: window\n\n logical :: east_pe, south_pe, west_pe, north_pe\n\n INTEGER :: TEMPG_LOC\n INTEGER :: TSEASFC_LOC\n\n integer :: STRTCOLSTD, ENDCOLSTD, STRTROWSTD, ENDROWSTD, ! this is for standard domain useful for coupled model\n & STRTCOLMC2, ENDCOLMC2, STRTROWMC2, ENDROWMC2,\n & STRTCOLMC2x, ENDCOLMC2x, STRTROWMC2x, ENDROWMC2x, ! extension setup for READMC2\n & STRTCOLMC3, ENDCOLMC3, STRTROWMC3, ENDROWMC3,\n & STRTCOLMD3, ENDCOLMD3, STRTROWMD3, ENDROWMD3,\n & STRTCOLMD3x, ENDCOLMD3x, STRTROWMD3x, ENDROWMD3x, ! extension setup for READMD3\n & STRTCOLIC, ENDCOLIC, STRTROWIC, ENDROWIC, ! for ICFILE\n & STRTCOLISIC, ENDCOLISIC, STRTROWISIC, ENDROWISIC, ! for ISAM ICFILE\n & STRTCOLLNT, ENDCOLLNT, STRTROWLNT, ENDROWLNT ! for lightning strike file\n\n private :: gridded_files_setup,\n & retrieve_lufrac_cro_data\n#ifdef mpas\n & ,retrieve_ocean_data_mpas\n#else\n & ,boundary_files_setup,\n & retrieve_grid_cro_2d_data,\n & retrieve_grid_dot_2d_data,\n & retrieve_ocean_data\n#endif\n\n integer, private :: count = 0\n integer, private :: cio_logdev, \n & size_s2d, ! standard 2d cro file size (in twoway model, size_s2d not equal to size_c2d\n & size_s3d, ! standard 3d file size\n & n_c2d, size_c2d, ! cro 2d file info: # of variables and a variable size\n & size_c2dx, ! extended cro 2d variable size\n & size_d2d, ! a 2d dot variable size\n & size_d2dx, ! extended 2d dot variable spatial size\n & n_c3d, size_c3d, ! cro 3d file info: # of variables and a variable size\n & n_d3d, size_d3d, ! dot 3d file info: # of variables and a variable size\n & size_d3dx, ! extended dot 3d variable size\n & n_i3d, ! # of initial condition 3d variables\n & n_is3d, ! # of initial condition 3d variables for ISAM\n & n_e2d, ! # of 2d emission variables\n & n_e3d, size_e3d, ! # of 3d emission variables and a variable size\n & n_mb3d, ! # of 3d met boundary variables\n & n_b3d, ! # of 3d boundary variables\n & size_b3d, ! a 3d boundary variable size\n & size_b2d, ! a 2d boundary variable size\n & n_l2d, ! # of lightning strikes file variables\n & size_lt ! lightning file variable size\n\n integer, private :: cro_ncols, cro_nrows, ! cro file nools and nrows \n & w_cro_ncols, w_cro_nrows, ! window cro file nools and nrows \n & x_cro_ncols, x_cro_nrows, ! extended cro file nools and nrows \n & s_cro_ncols, s_cro_nrows, ! standard cro file nools and nrows (this is used to distinguish \n ! met cro and regular cro file in twoway coupled model\n & dot_ncols, dot_nrows, ! dot file nools and nrows \n & x_dot_ncols, x_dot_nrows ! extended dot file nools and nrows \n\n integer, private :: cio_LTLYRS ! number of layers in lightning strike dataset\n CHARACTER( 16 ) :: LT_NAME ! LNT name: old Cis NLDNstrk and new is LNT\n\n interface interpolate_var\n#ifdef mpas\n module procedure r_interpolate_var_1ds_mpas,\n & r_interpolate_var_2d_mpas,\n & i_interpolate_var_2d_mpas,\n & r_interpolate_var_3d_mpas\n#else\n module procedure r_interpolate_var_1ds, ! Interpolation for Stack Group Real 1-D Data \n & r_interpolate_var_2d, ! Interpolation for generic Real 2-D Data \n & i_interpolate_var_2d, ! Interpolation for generic Integer 2-D Data\n & r_interpolate_var_2db, ! Interpolation for Boundary Real 2-D Data\n & r_interpolate_var_3d ! Interpolation for generic Real 3-D Data \n#endif\n end interface\n\n! MPAS only routines:\n\n! stack_files_setup_mpas\n! retrieve_stack_data_mpas\n! retrieve_ocean_data_mpas\n\n! r_interpolate_var_1d_mpas ???\n! r_interpolate_var_1ds_mpas\n! r_interpolate_var_2d_mpas\n! i_interpolate_var_2d_mpas\n! r_interpolate_var_2dx_mpas ???\n! r_interpolate_var_3d_mpas\n \n! Non MPAS routines:\n\n! boundary_files_setup\n! stack_files_setup\n! biogemis_setup\n! beis_norm_emis_setup\n! depv_data_setup\n! medc_file_setup\n! retrieve_grid_cro_2d_data\n! retrieve_grid_dot_2d_data\n! retrieve_ocean_data\n! retrieve_ltng_param_data\n! retrieve_boundary_data\n! retrieve_stack_data\n\n! r_interpolate_var_1ds\n! r_interpolate_var_2d\n! i_interpolate_var_2d\n! r_interpolate_var_2db\n! r_interpolate_var_3d\n\n! Common routines:\n\n! centralized_io_init\n! gridded_files_setup\n! retrieve_time_dep_gridded_data\n! retrieve_lufrac_cro_data\n! DESID_INIT_REGIONS\n! DESID_READ_NAMELIST\n! soilinp_setup\n! lus_setup\n! megan_setup\n\n contains\n\n! -------------------------------------------------------------------------\n subroutine centralized_io_init (in_ncols)\n\n use lsm_mod, only: n_lufrac, init_lsm\n USE UTILIO_DEFN\n USE RUNTIME_VARS, only: log_heading, logdev\n\n#ifdef mpas\n use hgrd_defn, only : ncols\n use RUNTIME_VARS, only : WB_DUST, ocean_chem, BIOGEMIS_MEGAN, BIOGEMIS_BEIS\n use lus_defn, only : lus_init\n#else\n USE HGRD_DEFN\n use cgrid_spcs, only : GC_DDEP, N_GC_DDEP\n! use util_module, only : index1\n\n INCLUDE SUBST_FILES_ID ! file name parameters\n#endif\n\n integer, intent(in), optional :: in_ncols\n\n Character( 40 ), parameter :: pname = 'centralized_io_init'\n\n logical, save :: first_time = .true.\n INTEGER :: STAT\n CHARACTER( 120 ) :: XMSG = ' '\n Character( 16 ) :: vname\n\n if (first_time) then\n first_time = .false.\n call log_heading( logdev, 'Opening CMAQ Input Files' )\n\n#ifdef mpas\n call gridded_files_setup\n\n call retrieve_lufrac_cro_data\n\n if (wb_dust) then\n call lus_setup\n end if\n\n! cio_logdev = 6\n\n if ( WB_DUST ) then\n if (.not. lus_init (mminlu_mpas, lufrac_data) ) then\n print *, ' Error: Cannot initialize Land Use category'\n stop\n end if\n end if\n\n allocate (lwmask(in_ncols, 1),\n & lat(in_ncols, 1),\n & lon(in_ncols, 1),\n & ht(in_ncols, 1),\n & stat=stat)\n\n lon = g2ddata(:,:,lon_ind)\n lat = g2ddata(:,:,lat_ind)\n ht = g2ddata(:,:,ht_ind)\n lwmask = g2ddata(:,:,lwmask_ind)\n\n call retrieve_ocean_data_mpas\n\n cio_model_sdate = stdate\n cio_model_stime = sttime\n\n call stack_files_setup_mpas\n\n if (BIOGEMIS_MEGAN) then\n call megan_setup\n end if\n#else\n cio_logdev = init3()\n\n cio_model_sdate = STDATE\n cio_model_stime = STTIME\n\n east_pe = (mod(mype, npcol) .eq. npcol - 1)\n west_pe = (mod(mype, npcol) .eq. 0)\n north_pe = (mype .ge. npcol * (nprow - 1))\n south_pe = (mype .lt. npcol)\n\n cio_LTNG_NO = LTNG_NO\n\n MEDC_AVAIL = .true.\n If ( .Not. Open3( INIT_MEDC_1, fsread3, pname ) ) Then\n MEDC_AVAIL = .false.\n if (abflux) then\n E2C_CHEM_AVAIL = .true.\n If ( .Not. Open3( E2C_CHEM, fsread3, pname ) ) Then\n XMSG = 'Open failure for ' // E2C_CHEM\n Call M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n E2C_CHEM_AVAIL = .false.\n END IF\n n_opened_file = n_opened_file + 1\n else\n E2C_CHEM_AVAIL = .false.\n end if\n END IF\n\n if (MEDC_AVAIL) then\n n_opened_file = n_opened_file + 1\n end if\n\n call gridded_files_setup\n\n call boundary_files_setup\n\n call stack_files_setup\n\n if (BIOGEMIS_BEIS) then\n call biogemis_setup\n call beis_norm_emis_setup\n end if\n if (BIOGEMIS_MEGAN) then\n call megan_setup\n end if\n\n\n if (ABFLUX) then\n call depv_data_setup\n end if\n\n if (LUCRO_AVAIL) then\n call retrieve_lufrac_cro_data\n end if\n\n if (WB_DUST) then\n if (.not. PX_LSM) then\n XMSG = 'WB_DUST requires PX LSM (PX_VERSION Y)'\n Call M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n end if\n call lus_setup\n end if\n\n if (HGBIDI .and. (.not. NEW_START)) then ! two level check, 1. environment variable and then GC_DDEP species list\n if ( index1 ( 'HG', N_GC_DDEP, GC_DDEP) .gt. 0 ) then \n call medc_file_setup\n end if\n end if\n\n call retrieve_grid_cro_2d_data\n\n call retrieve_grid_dot_2d_data\n\n call retrieve_ocean_data\n\n if (cio_LTNG_NO) then\n call retrieve_ltng_param_data \n end if\n#endif\n if (BIOGEMIS_BEIS .or. BIOGEMIS_MEGAN) then\n call soilinp_setup\n end if\n\n end if\n\n call retrieve_time_dep_gridded_data (cio_model_sdate, cio_model_stime)\n\n#ifdef mpas\n call retrieve_stack_data_mpas (cio_model_sdate, cio_model_stime)\n#else\n call retrieve_boundary_data (cio_model_sdate, cio_model_stime)\n\n call retrieve_stack_data (cio_model_sdate, cio_model_stime)\n#endif\n\n end subroutine centralized_io_init\n \n! -------------------------------------------------------------------------\n subroutine gridded_files_setup\n\n USE UTILIO_DEFN\n use HGRD_DEFN, only : ncols, nrows, mype, colsx_pe, rowsx_pe\n USE VGRD_DEFN, only : VGTYP_GD, nlays\n USE RUNTIME_VARS, only : N_FILE_GR,\n & STDATE, WB_DUST, ISAM_NEW_START,\n & local_tstep, met_tstep, NLDNSTRIKE,\n & LPVO3\n use LSM_Mod, only : LAND_SCHEME\n use cgrid_spcs, only : n_gc_spcd, n_ae_spc\n#ifdef mpas\n use centralized_io_util_module, only : ext_layer_info, cal_distribution , \n & binary_search, quicksort\n use util_module, only : sec2time, nextime, index1, secsdiff\n#endif\n\n INCLUDE SUBST_FILES_ID ! file name parameters\n\n Character( 40 ), parameter :: pname = 'gridded_files_setup'\n\n CHARACTER( 120 ) :: XMSG = ' '\n INTEGER :: GXOFF, GYOFF, stat, n, v, d_size, begin, end, adj,\n & n_dust_vars, idx, t, ldate, ltime,\n & nl, s, e, c, time, floc\n character( 32 ) :: tname, fname\n\n character( 24 ), allocatable :: c2d_name(:, :), c3d_name(:, :), \n & d3d_name(:,:), emis_name(:,:),\n & i3d_name(:,:), is3d_name(:,:),\n & l2d_name(:,:), medc_name(:,:)\n logical :: done = .false.\n logical :: found\n\n integer, allocatable :: bottom(:), top(:)\n integer :: emis_file_dist_layer, tdate(2), ttime(2), diffsec\n\n logical :: layer_exist\n\n#ifdef mpas\n n_c2d = 0\n n_c3d = 0\n n_d3d = 0\n size_d3dx = 1\n\n if (binary_search( 'LH', vname_2d, n2d_data) .gt. 0) then\n lh_avail = .true.\n else\n lh_avail = .false.\n end if\n\n n_opened_file = n_opened_file + 1\n f_met = n_opened_file\n file_tstep(f_met) = mpas_tstep\n\n wspd10_avail = .true.\n\n P0 = 100000.0\n\n QI_AVAIL = .true.\n QS_AVAIL = .true.\n JACOBF_AVAIL = .false.\n#else\n! met grid cro 2d file\n IF ( .NOT. OPEN3( GRID_CRO_2D, FSREAD3, PNAME ) ) THEN\n XMSG = 'Could not open '// GRID_CRO_2D // ' file'\n CALL M3EXIT ( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n IF ( .NOT. DESC3( GRID_CRO_2D ) ) THEN\n XMSG = 'Could not get ' // GRID_CRO_2D //' file description'\n CALL M3EXIT ( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n\n n_grid_cro_data_vars = nvars3d\n\n LAND_SCHEME = 'UNKNOWN'\n\n v = 0\n DO WHILE ((v .LT. NVARS3D) .and. (.not. done))\n v = v + 1\n IF ( VNAME3D( v ) .EQ. 'DLUSE' ) THEN\n IF ( INDEX( VDESC3D( v ), 'USGS24' ) .NE. 0 ) THEN\n LAND_SCHEME = 'USGS24'\n cio_dust_land_scheme = 'USGS24'\n ELSE IF ( INDEX( VDESC3D( v ), 'NLCD40' ) .NE. 0 ) THEN\n LAND_SCHEME = 'NLCD40'\n cio_dust_land_scheme = 'NLCD40'\n ELSE IF ( INDEX( VDESC3D( v ), 'NLCD50' ) .NE. 0 ) THEN\n LAND_SCHEME = 'NLCD50'\n cio_dust_land_scheme = 'NLCD50'\n ELSE IF ( INDEX( VDESC3D( v ), 'NLCD-MODIS' ) .NE. 0 ) THEN\n LAND_SCHEME = 'NLCD50'\n cio_dust_land_scheme = 'NLCD-MODIS'\n ELSE IF ( INDEX( VDESC3D( v ), 'MODIS' ) .NE. 0 ) THEN\n LAND_SCHEME = 'MODIS'\n IF ( INDEX( VDESC3D( v ), 'MODIS NOAH' ) .ne. 0) THEN\n cio_dust_land_scheme = 'MODIS_NOAH'\n ELSE\n cio_dust_land_scheme = 'MODIS'\n END IF\n END IF\n done = .true.\n END IF\n END DO\n\n IF ( .NOT. OPEN3( GRID_DOT_2D, FSREAD3, PNAME ) ) THEN\n XMSG = 'Could not open '// GRID_DOT_2D // ' file'\n CALL M3EXIT ( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n\n! lufrac cro file\n IF ( .NOT. OPEN3( LUFRAC_CRO, FSREAD3, PNAME ) ) THEN\n XMSG = 'Could not open '// LUFRAC_CRO // ' file'\n CALL M3WARN ( PNAME, 0, 0, XMSG )\n LUCRO_AVAIL = .FALSE.\n XMSG = 'Solution: Reading Land Use Fractions from GRID_CRO_2D file'\n WRITE(LOGDEV,'(5X,A)')TRIM( XMSG )\n ELSE\n n_opened_file = n_opened_file + 1\n LUCRO_AVAIL = .TRUE.\n IF ( .NOT. DESC3( LUFRAC_CRO ) ) THEN\n XMSG = 'Could not get ' // LUFRAC_CRO //' file description'\n CALL M3EXIT ( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n END IF\n\n! met cro 2d file\n IF ( .NOT. OPEN3( MET_CRO_2D, FSREAD3, PNAME ) ) THEN\n XMSG = 'Could not open '// MET_CRO_2D // ' file'\n CALL M3EXIT ( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n n_opened_file = n_opened_file + 1\n f_met = n_opened_file\n IF ( .NOT. DESC3( MET_CRO_2D ) ) THEN\n XMSG = 'Could not get ' // MET_CRO_2D //' file description'\n CALL M3EXIT ( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n\n file_sdate(f_met) = sdate3d\n file_stime(f_met) = stime3d\n#ifdef twoway\n file_tstep(f_met) = tstep3d\n#else\n file_tstep(f_met) = met_tstep ! offline model controlled by runtime var MET_TSTEP\n#endif\n file_xcell(f_met) = xcell3d\n file_ycell(f_met) = ycell3d\n\n IF (INDEX1( 'TSEASFC', NVARS3D, VNAME3D ) .gt. 0) then\n TSEASFC_AVAIL = .true.\n adj = 0\n else\n TSEASFC_AVAIL = .false.\n adj = 1\n end if\n\n HAS_SEAICE = (INDEX1( 'SEAICE', NVARS3D, VNAME3D ) .gt. 0)\n\n! include an additional variable TSEASFC when MET_CRO_2D does not have it and CMAQ code is looking for it\n n_c2d = nvars3d + adj\n allocate (c2d_name(n_c2d, 3), stat=stat)\n if (stat .ne. 0) then\n xmsg = 'Failure allocating c2d_name '\n call m3exit (pname, 0, 0, xmsg, xstat1 )\n end if\n\n! only met data has 'm' distinction and since twoway model does not provide \n! boundary data, so this distinction only apply to non boundary met data\n\n c2d_name(1:nvars3d,1) = vname3d(1:nvars3d)\n c2d_name(:,2) = 'mc2' ! denote 2d variable\n c2d_name(:,3) = 'm' ! denote met variable\n if (adj .eq. 1) then\n c2d_name(n_c2d,1) = 'TSEASFC'\n end if\n\n WSPD10_AVAIL = (INDEX1( 'WSPD10', NVARS3D, VNAME3D ) .gt. 0)\n RNA_AVAIL = (INDEX1( 'RNA', NVARS3D, VNAME3D ) .gt. 0)\n RCA_AVAIL = (INDEX1( 'RCA', NVARS3D, VNAME3D ) .gt. 0)\n RA_RS_AVAIL = (INDEX1( 'RA', NVARS3D, VNAME3D ) .gt. 0)\n WR_AVAIL = (INDEX1( 'WR', NVARS3D, VNAME3D ) .gt. 0)\n Q2_AVAIL = (INDEX1( 'Q2', NVARS3D, VNAME3D ) .gt. 0)\n LH_AVAIL = (INDEX1( 'LH', NVARS3D, VNAME3D ) .gt. 0)\n PXSOIL_AVAIL = (INDEX1( 'CLAY_PX', NVARS3D, VNAME3D ) .gt. 0)\n\n CALL SUBHFILE ( MET_CRO_2D, GXOFF, GYOFF,\n & STRTCOLMC2, ENDCOLMC2, STRTROWMC2, ENDROWMC2 )\n\n#ifdef twoway\n STRTCOLMC2x = STRTCOLMC2\n STRTROWMC2x = STRTROWMC2\n ENDCOLMC2x = ENDCOLMC2\n ENDROWMC2x = ENDROWMC2\n#else\n STRTCOLMC2x = STRTCOLMC2\n STRTROWMC2x = STRTROWMC2\n if (north_pe .and. east_pe) then\n ENDCOLMC2x = ENDCOLMC2\n ENDROWMC2x = ENDROWMC2\n else if (north_pe) then\n ENDCOLMC2x = ENDCOLMC2 + 1\n ENDROWMC2x = ENDROWMC2\n else if (east_pe) then\n ENDCOLMC2x = ENDCOLMC2\n ENDROWMC2x = ENDROWMC2 + 1\n else\n ENDROWMC2x = ENDROWMC2 + 1\n ENDCOLMC2x = ENDCOLMC2 + 1\n end if\n#endif\n\n! met cro 3d file\n IF ( .NOT. OPEN3( MET_CRO_3D, FSREAD3, PNAME ) ) THEN\n XMSG = 'Could not open '// MET_CRO_3D // ' file'\n CALL M3EXIT ( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n IF ( .NOT. DESC3( MET_CRO_3D ) ) THEN\n XMSG = 'Could not get ' // MET_CRO_3D //' file description'\n CALL M3EXIT ( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n\n n_c3d = nvars3d\n allocate (c3d_name(n_c3d, 3), stat=stat)\n if (stat .ne. 0) then\n xmsg = 'Failure allocating c3d_name '\n call m3exit (pname, 0, 0, xmsg, xstat1 )\n end if\n c3d_name(:,1) = vname3d(1:n_c3d) \n c3d_name(:,2) = 'mc3' ! denote 3d variable\n c3d_name(:,3) = 'm' ! denote met variable\n\n CFRAC_3D_AVAIL = (INDEX1( 'CFRAC_3D', NVARS3D, VNAME3D ) .gt. 0)\n\n PV_AVAIL = (INDEX1( 'PV', NVARS3D, VNAME3D ) .gt. 0)\n IF ( .NOT. PV_AVAIL .AND. LPVO3 ) THEN\n XMSG = 'PV, potential vorticity, not found in ' // MET_CRO_3D\n & // ' but CTM_PVO3 option set to Yes in run-script'\n CALL M3EXIT ( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n\n QI_AVAIL = (INDEX1( 'QI', NVARS3D, VNAME3D ) .gt. 0)\n QS_AVAIL = (INDEX1( 'QS', NVARS3D, VNAME3D ) .gt. 0)\n QG_AVAIL = (INDEX1( 'QG', NVARS3D, VNAME3D ) .gt. 0)\n JACOBF_AVAIL = (INDEX1( 'JACOBF', NVARS3D, VNAME3D ) .gt. 0)\n QC_AVAIL = .true.\n\n CALL SUBHFILE ( MET_CRO_3D, GXOFF, GYOFF,\n & STRTCOLMC3, ENDCOLMC3, STRTROWMC3, ENDROWMC3 )\n\n IF ( (ENDCOLMC3 - STRTCOLMC3 + 1) .NE. NCOLS .OR.\n & (ENDROWMC3 - STRTROWMC3 + 1) .NE. NROWS ) THEN\n WRITE( XMSG,'( A, 4I8 )' ) 'Local Columns or Rows incorrect',\n & (ENDCOLMC3 - STRTCOLMC3 + 1), NCOLS, (ENDROWMC3 - STRTROWMC3 + 1), NROWS\n CALL M3EXIT ( PNAME, cio_model_sdate, cio_model_stime, XMSG, XSTAT1 )\n END IF\n\n#ifdef twoway\n window = .TRUE.\n\n STRTCOLMC3 = STRTCOLMC3 - 1\n ENDCOLMC3 = ENDCOLMC3 + 1\n STRTROWMC3 = STRTROWMC3 - 1\n ENDROWMC3 = ENDROWMC3 + 1\n w_cro_ncols = ENDCOLMC3 - STRTCOLMC3 + 1\n w_cro_nrows = ENDROWMC3 - STRTROWMC3 + 1\n\n#else\n IF ( GXOFF .NE. 0 .AND. GYOFF .NE. 0 ) THEN\n window = .TRUE. ! windowing from file\n STRTCOLMC3 = STRTCOLMC3 - 1\n ENDCOLMC3 = ENDCOLMC3 + 1\n STRTROWMC3 = STRTROWMC3 - 1\n ENDROWMC3 = ENDROWMC3 + 1\n w_cro_ncols = ENDCOLMC3 - STRTCOLMC3 + 1\n w_cro_nrows = ENDROWMC3 - STRTROWMC3 + 1\n ELSE\n window = .FALSE.\n w_cro_ncols = -1\n w_cro_nrows = -1\n if (.not. east_pe) then\n ENDCOLMC3 = ENDCOLMC3 + 1\n end if\n if (.not. north_pe) then\n ENDROWMC3 = ENDROWMC3 + 1\n end if\n END IF\n#endif\n\n V = INDEX1( 'PRES', NVARS3D, VNAME3D )\n If ( V .eq. 0 ) Then\n XMSG = 'Could not get variable PRES from ' // MET_CRO_3D\n Call M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n End If\n\n Select Case (UNITS3D( V ))\n Case ( 'PASCAL','pascal','Pascal','PA','pa','Pa' )\n CONVPA = 1.0\n P0 = 100000.0\n Case ( 'MILLIBAR','millibar','Millibar','MB','mb','Mb' )\n CONVPA = 1.0E-02\n P0 = 100000.0 * CONVPA\n Case ( 'CENTIBAR','centibar','Centibar','CB','cb','Cb' )\n CONVPA = 1.0E-03\n P0 = 100000.0 * CONVPA\n Case Default\n XMSG = 'PRES units incorrect on ' // MET_CRO_3D\n Call M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n End Select\n\n! met dot 3d file\n IF ( .NOT. OPEN3( MET_DOT_3D, FSREAD3, PNAME ) ) THEN\n XMSG = 'Could not open '// MET_DOT_3D // ' file'\n CALL M3EXIT ( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n IF ( .NOT. DESC3( MET_DOT_3D ) ) THEN\n XMSG = 'Could not get description of file '// MET_DOT_3D \n CALL M3EXIT ( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n\n n_d3d = nvars3d\n allocate (d3d_name(n_d3d, 3), stat=stat)\n if (stat .ne. 0) then\n xmsg = 'Failure allocating d3d_name '\n call m3exit (pname, 0, 0, xmsg, xstat1 )\n end if\n d3d_name(:,1) = vname3d(1:n_d3d) \n d3d_name(:,2) = 'md3' ! denote dot variable\n d3d_name(:,3) = 'm' ! denote met variable\n\n CALL SUBHFILE ( MET_DOT_3D, GXOFF, GYOFF,\n & STRTCOLMD3, ENDCOLMD3, STRTROWMD3, ENDROWMD3 )\n\n#ifdef twoway\n STRTCOLMD3x = STRTCOLMD3\n STRTROWMD3x = STRTROWMD3\n ENDROWMD3x = ENDROWMD3\n ENDCOLMD3x = ENDCOLMD3\n#else\n STRTCOLMD3x = STRTCOLMD3\n STRTROWMD3x = STRTROWMD3\n if (north_pe .and. east_pe) then\n ENDCOLMD3x = ENDCOLMD3\n ENDROWMD3x = ENDROWMD3\n else if (north_pe) then\n ENDCOLMD3x = ENDCOLMD3 + 1\n ENDROWMD3x = ENDROWMD3\n else if (east_pe) then\n ENDCOLMD3x = ENDCOLMD3\n ENDROWMD3x = ENDROWMD3 + 1\n else\n ENDROWMD3x = ENDROWMD3 + 1\n ENDCOLMD3x = ENDCOLMD3 + 1\n end if\n#endif\n\n dot_ncols = ENDCOLMD3 - STRTCOLMD3 + 1\n dot_nrows = ENDROWMD3 - STRTROWMD3 + 1\n size_d3d = dot_ncols * dot_nrows * nlays\n\n x_dot_ncols = ENDCOLMD3x - STRTCOLMD3x + 1\n x_dot_nrows = ENDROWMD3x - STRTROWMD3x + 1\n size_d2dx = x_dot_ncols * x_dot_nrows\n size_d3dx = size_d2dx * nlays\n\n UWINDC_AVAIL = (INDEX1( 'UWINDC', NVARS3D, VNAME3D ) .gt. 0)\n VWINDC_AVAIL = (INDEX1( 'VWINDC', NVARS3D, VNAME3D ) .gt. 0)\n#endif\n\n! emission file, could be one or multiple layer\n\n call desid_read_namelist()\n call desid_init_regions()\n\n allocate (cio_emis_file_name(N_FILE_GR),\n & cio_emis_file_loc(N_FILE_GR),\n & cio_emis_nvars(N_FILE_GR),\n#ifdef mpas\n & num_dist_layers(ncols, n_file_gr),\n & dist_frac(nlays, ncols, n_file_gr),\n & bottom(nlays), \n & top(nlays), \n & emis_file_layer_frac(nlays, n_file_gr), \n#else\n & cio_emis_file_startcol(N_FILE_GR),\n & cio_emis_file_endcol(N_FILE_GR),\n & cio_emis_file_startrow(N_FILE_GR),\n & cio_emis_file_endrow(N_FILE_GR),\n#endif\n & f_emis(N_FILE_GR),\n & stat=stat)\n\n n_e2d = 0\n n_e3d = 0\n do n = 1, N_FILE_GR\n\n n_opened_file = n_opened_file + 1\n f_emis(n) = n_opened_file\n\n! Check whether file is a representative day type\n file_sym_date(f_emis(n)) = emis_sym_date ! Master switch to change default\n write (fname, '(a15, i3.3)') \"GR_EM_SYM_DATE_\", n\n call get_env(file_sym_date(f_emis(n)), fname,\n & file_sym_date(f_emis(n)), logdev )\n\n write (fname, '(a8, i3.3)') \"GR_EMIS_\", n\n cio_emis_file_name(n) = fname\n\n#ifdef mpas\n floc = mio_search (cio_emis_file_name(n))\n cio_emis_file_loc(n) = floc\n\n call mio_time_format_conversion (mio_file_data(floc)%timestamp(1), tdate(1), ttime(1))\n call mio_time_format_conversion (mio_file_data(floc)%timestamp(2), tdate(2), ttime(2))\n\n file_sdate(f_emis(n)) = tdate(1)\n file_stime(f_emis(n)) = ttime(1)\n\n diffsec = secsdiff (tdate(1), ttime(1), tdate(2), ttime(2))\n\n file_tstep(f_emis(n)) = sec2time(diffsec)\n mio_file_data(floc)%tstep = file_tstep(f_emis(n))\n\n layer_exist = .false.\n do v = 1, mio_file_data(floc)%n_global_atts\n if (mio_file_data(floc)%glo_att_name(v) .eq. 'layers') then\n layer_exist = .true.\n s = mio_file_data(floc)%glo_att_crange(2*v-1)\n e = mio_file_data(floc)%glo_att_crange(2*v)\n call ext_layer_info (mio_file_data(floc)%glo_att_cval(s:e), \n & emis_file_dist_layer, bottom, top, \n & emis_file_layer_frac(:,n))\n end if\n end do\n\n if (layer_exist) then\n do c = 1, ncols\n call cal_distribution (bottom, top, g3ddata(c,1,:,zh_ind), \n & emis_file_layer_frac(:,n),\n & emis_file_dist_layer, \n & num_dist_layers(c,n),\n & dist_frac(:,c,n))\n end do\n else\n num_dist_layers(:,n) = 1\n dist_frac(:,:,n) = 1.0\n end if\n\n cio_emis_nvars(n) = mio_file_data(floc)%nvars\n if (mio_file_data(floc)%nlays .eq. 1) then\n n_e2d = n_e2d + cio_emis_nvars(n)\n else\n n_e3d = n_e3d + cio_emis_nvars(n)\n end if\n\n call mio_time_format_conversion (mio_file_data(floc)%timestamp(1), file_sdate(f_emis(n)), time)\n#else\n IF ( .NOT. OPEN3( fname, FSREAD3, PNAME ) ) THEN\n XMSG = 'Could not open '// fname // ' file'\n CALL M3EXIT ( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n IF ( .NOT. DESC3( fname ) ) THEN\n XMSG = 'Could not get description of file '// fname\n CALL M3EXIT ( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n\n call subhfile ( cio_emis_file_name(n), gxoff, gyoff,\n & cio_emis_file_startcol(n), cio_emis_file_endcol(n), \n & cio_emis_file_startrow(n), cio_emis_file_endrow(n) )\n\n file_sdate(f_emis(n)) = sdate3d\n file_stime(f_emis(n)) = stime3d\n file_tstep(f_emis(n)) = tstep3d\n file_xcell(f_emis(n)) = xcell3d\n file_ycell(f_emis(n)) = ycell3d\n\n found = .false.\n ldate = sdate3d\n ltime = stime3d\n if (ldate == stdate) then\n found = .true.\n else\n t = 1\n do while ((t < mxrec3d) .and. (.not. found))\n call nextime (ldate, ltime, tstep3d)\n if (ldate == stdate) then\n found = .true.\n end if\n t = t + 1\n end do\n end if\n\n cio_emis_nvars(n) = nvars3d\n if (nlays3d .eq. 1) then\n n_e2d = n_e2d + cio_emis_nvars(n)\n else\n n_e3d = n_e3d + cio_emis_nvars(n)\n end if\n\n#endif\n end do\n\n#ifdef mpas\n deallocate (bottom, top)\n\n n_dust_vars = 0\n#else\n\n! Wind blown dust data\n n_dust_vars = 0\n#endif\n\n n_e2d = n_e2d + n_dust_vars\n\n allocate (emis_name(n_e2d+n_e3d, 3), stat=stat)\n if (stat .ne. 0) then\n xmsg = 'Failure allocating emis_name '\n call m3exit (pname, 0, 0, xmsg, xstat1 )\n end if\n\n#ifndef mpas\n! setup initial condition file\n n_i3d = 0\n IF ( .NOT. OPEN3( ICFILE, FSREAD3, PNAME ) ) THEN\n XMSG = 'Open failure for ' // ICFILE\n Call M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n n_opened_file = n_opened_file + 1\n f_icon = n_opened_file\n IF ( .NOT. DESC3( ICFILE ) ) THEN\n XMSG = 'Could not get description of file '// ICFILE \n CALL M3EXIT ( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n call subhfile ( ICFILE, gxoff, gyoff,\n & STRTCOLIC, ENDCOLIC, STRTROWIC, ENDROWIC )\n\n! remove duplicate name from MET_CRO_3D file\n adj = nvars3d\n do v = nvars3d, 1, -1\n n = index1 (vname3d(v), n_c3d, c3d_name) \n if (n .gt. 0) then\n do idx = v+1, adj\n vname3d(idx-1) = vname3d(idx)\n end do\n adj = adj - 1\n end if\n end do\n n_i3d = adj\n\n allocate (i3d_name(n_i3d, 3), stat=stat)\n if (stat .ne. 0) then\n xmsg = 'Failure allocating i3d_name '\n call m3exit (pname, 0, 0, xmsg, xstat1 )\n end if\n i3d_name(:,1) = vname3d(1:n_i3d) \n i3d_name(:,2) = 'ic' ! denote initial condition variable\n i3d_name(:,3) = ' ' ! denote non met variable\n\n! setup initial condition file for ISAM\n n_is3d = 0\n\n if (ISAM_NEW_START == 'N') then\n IF ( .NOT. OPEN3( ISAM_PREVDAY, FSREAD3, PNAME ) ) THEN\n XMSG = 'Open failure for ' // ISAM_PREVDAY\n Call M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n n_opened_file = n_opened_file + 1\n f_is_icon = n_opened_file\n IF ( .NOT. DESC3( ISAM_PREVDAY ) ) THEN\n XMSG = 'Could not get description of file '// ISAM_PREVDAY \n CALL M3EXIT ( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n call subhfile ( ISAM_PREVDAY, gxoff, gyoff,\n & STRTCOLISIC, ENDCOLISIC, STRTROWISIC, ENDROWISIC )\n\n n_is3d = nvars3d\n allocate (is3d_name(n_is3d, 3), stat=stat)\n if (stat .ne. 0) then\n xmsg = 'Failure allocating i3d_name '\n call m3exit (pname, 0, 0, xmsg, xstat1 )\n end if\n is3d_name(:,1) = vname3d(1:n_is3d) \n is3d_name(:,2) = 'is' ! denote ISAM initial condition variable\n is3d_name(:,3) = ' ' ! denote non met variable\n\n file_sdate(f_is_icon) = sdate3d\n file_stime(f_is_icon) = stime3d\n file_tstep(f_is_icon) = tstep3d\n file_xcell(f_is_icon) = xcell3d\n file_ycell(f_is_icon) = ycell3d\n\n end if ! ISAM_NEW_START\n#endif\n\n! setup gridded emission file\n end = 0\n allocate (cio_emis_file_layer(N_FILE_GR), stat=stat)\n do n = 1, N_FILE_GR\n WRITE (fname, '(a8, i3.3)') \"GR_EMIS_\", n\n#ifdef mpas\n floc = cio_emis_file_loc(n)\n nl = mio_file_data(floc)%nlays\n#else\n IF ( .NOT. DESC3( fname ) ) THEN\n XMSG = 'Could not get description of file '// fname\n CALL M3EXIT ( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n nl = nlays3d\n#endif\n\n begin = end + 1\n\n write (tname, '(a1, i3.3)') '_', n\n#ifdef mpas\n do v = 1, mio_file_data(floc)%nvars\n end = end + 1\n emis_name(end,1) = trim(mio_file_data(floc)%var_name(v)) // tname\n end do\n\n#else\n do v = 1, nvars3d\n end = end + 1\n emis_name(end,1) = trim(vname3d(v)) // tname\n end do\n#endif\n\n if (nl .eq. 1) then\n emis_name(begin:end, 2) = 'e2d' ! e denote emission 2d variable\n else\n emis_name(begin:end, 2) = 'e3d' ! E denote emission 3d variable\n end if\n emis_name(begin:end, 3) = ' ' ! denote non met variable\n cio_emis_file_layer(n) = nl\n end do\n\n cio_emis_nlays = maxval(cio_emis_file_layer)\n ! If there are 3D (inline point or Lightning) sources, \n ! revise the top to be the model top.\n IF ( NPTGRPS .GT. 0 .OR. LTNG_NO ) cio_emis_nlays = NLAYS\n \n ! Make sure the top is not greater than the model top\n cio_emis_nlays = MAX( MIN( cio_emis_nlays, NLAYS ), 1 )\n \n WRITE( LOGDEV,1009 ) cio_emis_nlays, NLAYS\n 1009 FORMAT( 5X, 'Number of Emissions Layers: ', I3\n & / 5X, 'out of total Number of Model Layers:', I3 )\n\n! lightning file\n n_l2d = 0\n#ifndef mpas\n if (NLDNSTRIKE) then\n IF ( .NOT. OPEN3( NLDN_STRIKES, FSREAD3, PNAME ) ) THEN\n XMSG = 'Open failure for ' // NLDN_STRIKES\n Call M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n n_opened_file = n_opened_file + 1\n f_ltng = n_opened_file\n IF ( .NOT. DESC3( NLDN_STRIKES ) ) THEN\n XMSG = 'Could not get description of file '// NLDN_STRIKES \n CALL M3EXIT ( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n call subhfile ( NLDN_STRIKES, gxoff, gyoff,\n & STRTCOLLNT, ENDCOLLNT, STRTROWLNT, ENDROWLNT)\n\n file_sdate(f_ltng) = sdate3d\n file_stime(f_ltng) = stime3d\n file_tstep(f_ltng) = tstep3d\n file_xcell(f_ltng) = xcell3d\n file_ycell(f_ltng) = ycell3d\n\n n_l2d = nvars3d\n cio_LTLYRS = nlays3d\n allocate (l2d_name(n_l2d, 3), stat=stat)\n if (stat .ne. 0) then\n xmsg = 'Failure allocating l2d_name '\n call m3exit (pname, 0, 0, xmsg, xstat1 )\n end if\n l2d_name(:,1) = vname3d(1:n_l2d) \n l2d_name(:,2) = 'lnt' ! denote lightning variable\n l2d_name(:,3) = ' ' ! denote non met variable\n ! Check to see what the lightning variable name is called\n ! backwards (NLDNstrk) & forwards compatible (LNT) \n if ( index1('NLDNstrk', n_l2d ,l2d_name(:,1)) .gt. 0 ) then\n lt_name = 'NLDNstrk'\n else\n lt_name = 'LNT'\n end if\n\n end if\n#endif\n\n! combining all files\n n_cio_grid_vars = n_c2d + n_c3d + n_d3d + n_e2d + n_e3d + n_l2d + n_i3d + n_is3d\n\n#ifdef mpas\n cro_ncols = ncols\n cro_nrows = 1\n size_c2dx = 1\n\n! for standard domain\n s_cro_ncols = ncols\n s_cro_nrows = 1\n#else\n cro_ncols = ENDCOLMC2 - STRTCOLMC2 + 1\n cro_nrows = ENDROWMC2 - STRTROWMC2 + 1\n\n! for standard domain\n STRTCOLSTD = COLSX_PE( 1, MYPE+1 )\n ENDCOLSTD = COLSX_PE( 2, MYPE+1 )\n STRTROWSTD = ROWSX_PE( 1, MYPE+1 )\n ENDROWSTD = ROWSX_PE( 2, MYPE+1 )\n\n s_cro_ncols = ENDCOLSTD - STRTCOLSTD + 1\n s_cro_nrows = ENDROWSTD - STRTROWSTD + 1\n#endif\n size_c2d = cro_ncols * cro_nrows\n\n size_s2d = s_cro_ncols * s_cro_nrows\n\n if ((cro_ncols .ne. ncols) .or. (cro_nrows .ne. nrows)) then\n call m3exit( 'Centralized I/O',0,0,' ==d== NO ncols nrows ',1 )\n end if\n\n x_cro_ncols = ENDCOLMC2x - STRTCOLMC2x + 1\n x_cro_nrows = ENDROWMC2x - STRTROWMC2x + 1\n size_c2dx = x_cro_ncols * x_cro_nrows\n\n size_d2d = dot_ncols * dot_nrows\n\n if (window) then\n\n size_c3d = w_cro_ncols * w_cro_nrows * nlays\n else\n size_c3d = size_c2dx * nlays\n end if\n\n size_e3d = size_s2d * cio_emis_nlays\n size_s3d = size_s2d * nlays\n\n size_lt = size_s2d * cio_LTLYRS\n\n allocate (cio_grid_var_name(n_cio_grid_vars, 3),\n & cio_grid_data_inx(2, 0:2, n_cio_grid_vars),\n & head_grid(n_cio_grid_vars),\n & tail_grid(n_cio_grid_vars),\n & cio_grid_data_tstamp(2, 0:2, n_cio_grid_vars),\n & cio_grid_data( size_c2dx * 3 * n_c2d ! 2d met data\n & + size_c2d * 3 * n_e2d ! 2d emis data\n & + size_c3d * 3 * n_c3d ! 3D met data\n & + size_e3d * 3 * n_e3d ! 3d emis data \n & + size_s3d * 3 * n_i3d ! 3d initial condition data \n & + size_s3d * 3 * n_is3d ! 3d ISAM initial condition data \n & + size_d3dx * 3 * n_d3d ! 3d dot data\n & + size_lt * 3 * n_l2d), ! lightning data\n & stat = stat)\n if (stat .ne. 0) then\n xmsg = 'Failure allocating cio_grid_var_name and associated arrays '\n call m3exit (pname, 0, 0, xmsg, xstat1 )\n end if\n cio_grid_data = 0.0\n\n#ifdef mpas\n end = 0\n allocate (cio_mpas_grid_data_tstamp(0:2, n_cio_grid_vars),\n & stat = stat)\n\n#else\n begin = 1\n end = n_c2d\n cio_grid_var_name(begin:end, :) = c2d_name\n\n begin = end + 1\n end = end + n_c3d\n cio_grid_var_name(begin:end, :) = c3d_name\n\n begin = end + 1\n end = end + n_d3d\n cio_grid_var_name(begin:end, :) = d3d_name\n#endif\n\n begin = end + 1\n end = end + n_e2d + n_e3d\n cio_grid_var_name(begin:end, :) = emis_name\n\n#ifndef mpas\n begin = end + 1\n end = end + n_i3d\n cio_grid_var_name(begin:end, :) = i3d_name\n\n if (ISAM_NEW_START == 'N') then\n begin = end + 1\n end = end + n_is3d\n cio_grid_var_name(begin:end, :) = is3d_name\n end if\n\n if (NLDNSTRIKE) then\n begin = end + 1\n end = end + n_l2d\n cio_grid_var_name(begin:end, :) = l2d_name\n deallocate (l2d_name)\n end if\n\n deallocate (c2d_name, c3d_name, i3d_name)\n if (ISAM_NEW_START == 'N') then\n deallocate (is3d_name)\n end if\n if (.not. window) then\n deallocate (d3d_name)\n end if\n#endif\n deallocate (emis_name)\n\n call quicksort(cio_grid_var_name, 1, n_cio_grid_vars)\n\n begin = 1\n do v = 1, n_cio_grid_vars\n\n! locate certain species\n if (cio_grid_var_name(v,1) .eq. 'TEMPG') then\n tempg_loc = v\n else if (cio_grid_var_name(v,1) .eq. 'TSEASFC') then\n tseasfc_loc = v\n end if\n\n if (cio_grid_var_name(v,2) .eq. 'mc2') then\n d_size = size_c2dx\n else if (cio_grid_var_name(v,2) .eq. 'e2d') then\n d_size = size_s2d\n else if (cio_grid_var_name(v,2) .eq. 'mc3') then\n d_size = size_c3d\n else if (cio_grid_var_name(v,2) .eq. 'e3d') then\n d_size = size_e3d\n else if ((cio_grid_var_name(v,2) .eq. 'ic') .or.\n & (cio_grid_var_name(v,2) .eq. 'is')) then\n d_size = size_s3d\n else if (cio_grid_var_name(v,2) .eq. 'md3') then\n d_size = size_d3dx\n else if ((cio_grid_var_name(v,2) .eq. 'lnt') .or.\n & (cio_grid_var_name(v,2) .eq. 'wb')) then\n d_size = size_s2d\n else\n call m3exit( 'Centralized I/O',0,0,' ==d== UNKOWN',1 )\n end if\n\n do n = 0, 2\n cio_grid_data_inx(1, n, v) = begin\n end = begin + d_size - 1\n cio_grid_data_inx(2, n, v) = end\n begin = end + 1\n end do\n! this is for checking purposes\n! write (logdev, '(a12, i5, 1x, a16, 2a4, 10i10)') ' ==d== file ', v,\n! & cio_grid_var_name(v,:), cio_grid_data_inx(:,:,v)\n end do\n\n end subroutine gridded_files_setup\n\n! -------------------------------------------------------------------------\n subroutine retrieve_time_dep_gridded_data (jdate, jtime, vname)\n\n USE UTILIO_DEFN\n USE HGRD_DEFN\n USE VGRD_DEFN, ONLY : NLAYS\n USE CGRID_SPCS\n use get_env_module\n#ifdef mpas\n use mio_module\n use util_module, only : nextime\n use coupler_module, only : cell_area\n! use centralized_io_util_module, only : binary_search\n!#else\n! use centralized_io_util_module, only : binary_search\n#endif\n use centralized_io_util_module, only : binary_search\n\n INCLUDE SUBST_FILES_ID ! file name parameters\n\n integer, intent(in) :: jdate, jtime\n character (*), intent(in), optional :: vname\n\n Character( 40 ), parameter :: pname = 'retrieve_time_dep_gridded_data'\n\n LOGICAL, SAVE :: firstime = .true.\n INTEGER :: STAT, i, j, k, begin, end, buf_loc, iterations, iter,\n & data_jdate, data_jtime,\n & v, beg_v, end_v, fnum, str_len, \n & t_beg, t_end, floc\n integer, allocatable :: tdata(:), loc_jdate(:), loc_jtime(:)\n character (16) :: loc_vname\n character (20) :: fname\n character (20), allocatable, save :: mpas_loc_time_stamp(:)\n\n CHARACTER( 120 ) :: XMSG = ' '\n\n#ifdef mpas\n real, save, allocatable :: mpas_tdata(:,:), temp_data_1d(:), temp_data_2d(:,:)\n character (20) :: loc_mpas_time_stamp ! this is for mpas only\n character (20), save :: mpas_time_stamp ! this is for mpas only\n integer, save :: pre_jdate, pre_jtime ! this is fore mpas only\n character( 40 ), save :: exception1, exception2\n#endif\n\n allocate (loc_jdate(n_opened_file), loc_jtime(n_opened_file), STAT=STAT)\n\n if (firstime) then\n\n#ifdef mpas\n allocate (mpas_loc_time_stamp(n_opened_file), STAT=STAT)\n\n do k = 1, N_FILE_GR\n write (fname, '(a8, i3.3)') \"GR_EMIS_\", k\n i = mio_search (fname)\n mpas_loc_time_stamp(f_emis(k)) = mio_file_data(i)%timestamp(1)\n end do\n\n pre_jdate = -1\n pre_jtime = -1\n\n call get_env (exception1, 'exception1', ' ')\n call get_env (exception2, 'exception2', ' ')\n\n#else\n allocate (SOILCAT_A(ncols, nrows), STAT=STAT)\n\n IF ( STAT .NE. 0 ) THEN\n XMSG = 'Failure allocating SLTYP array'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT3 )\n END IF\n#ifdef twoway\n If ( .Not. INTERPX( MET_CRO_2D, 'SLTYP', PNAME, \n & STRTCOLMC2, ENDCOLMC2,STRTROWMC2, ENDROWMC2, 1, 1,\n & jdate, jtime, SOILCAT_A ) ) THEN\n XMSG = ' Error interpolating variable SLTYP from ' // MET_CRO_2D\n Call M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n#else\n If ( .Not. XTRACT3( MET_CRO_2D, 'SLTYP',\n & 1, 1, STRTROWMC2, ENDROWMC2, STRTCOLMC2, ENDCOLMC2, \n & jdate, jtime, SOILCAT_A ) ) THEN\n XMSG = ' Error interpolating variable SLTYP from ' // MET_CRO_2D\n Call M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n#endif\n\n#endif\n head_grid = -1\n tail_grid = -1\n\n iterations = 2\n else\n iterations = 1\n end if ! firstime\n\n if (present(vname)) then\n beg_v = binary_search (vname, cio_grid_var_name(:,1), n_cio_grid_vars)\n end_v = beg_v\n else\n beg_v = 1\n end_v = n_cio_grid_vars\n end if\n\n loc_jdate = jdate\n loc_jtime = jtime\n\n do iter = 1, iterations\n do v = beg_v, end_v\n buf_loc = mod((tail_grid(v) + iter), 2)\n\n begin = cio_grid_data_inx(1,buf_loc,v)\n end = cio_grid_data_inx(2,buf_loc,v)\n\n if (cio_grid_var_name(v,2) == 'mc2') then\n\n#ifndef mpas\n data_jdate = loc_jdate(f_met)\n data_jtime = loc_jtime(f_met)\n\n if ((cio_grid_var_name(v,1) .ne. 'TSEASFC') .or. TSEASFC_AVAIL) then\n#ifdef twoway\n IF ( .NOT. INTERPX( MET_CRO_2D, cio_grid_var_name(v,1), PNAME, \n & STRTCOLMC2x, ENDCOLMC2x, STRTROWMC2x, ENDROWMC2x, 1, 1,\n & data_jdate, data_jtime, cio_grid_data(begin:end) ) ) THEN\n XMSG = 'Could not extract ' // MET_CRO_2D // ' file'\n CALL M3EXIT ( PNAME, DATA_JDATE, DATA_JTIME, XMSG, XSTAT1 )\n END IF\n#else\n IF ( .NOT. XTRACT3( MET_CRO_2D, cio_grid_var_name(v,1), \n & 1, 1, STRTROWMC2x, ENDROWMC2x, STRTCOLMC2x, ENDCOLMC2x, \n & data_jdate, data_jtime, cio_grid_data(begin:end) ) ) THEN\n XMSG = 'Could not extract ' // MET_CRO_2D // ' file'\n CALL M3EXIT ( PNAME, DATA_JDATE, DATA_JTIME, XMSG, XSTAT1 )\n END IF\n#endif\n END IF\n\n! deal with convective scheme\n if ((cio_grid_var_name(v,1) .eq. 'RC') .or.\n & (cio_grid_var_name(v,1) .eq. 'RCA')) then\n if (maxval(cio_grid_data(begin:end)) .lt. 0.0) then\n convective_scheme = .false.\n cio_grid_data(begin:end) = 0.0\n XMSG = 'MCIP files indicate no convective parameterization was '\n & // 'used in the WRF simulation'\n CALL M3WARN (PNAME, JDATE, JTIME, XMSG)\n XMSG = 'Processing will continue without subgrid clouds'\n CALL M3MESG (XMSG)\n else\n where (cio_grid_data(begin:end) .lt. 0.0) cio_grid_data(begin:end) = 0.0\n end if\n end if\n\n else if (cio_grid_var_name(v,2) == 'mc3') then\n\n data_jdate = loc_jdate(f_met)\n data_jtime = loc_jtime(f_met)\n#ifdef twoway\n IF ( .NOT. INTERPX( MET_CRO_3D, cio_grid_var_name(v,1), PNAME, \n & STRTCOLMC3, ENDCOLMC3, STRTROWMC3, ENDROWMC3, 1, nlays, \n & data_jdate, data_jtime, cio_grid_data(begin:end) ) ) THEN\n XMSG = 'Could not extract ' // MET_CRO_3D // ' file'\n CALL M3EXIT ( PNAME, data_jdate, data_jtime, XMSG, XSTAT1 )\n END IF\n#else\n IF ( .NOT. XTRACT3( MET_CRO_3D, cio_grid_var_name(v,1), \n & 1, nlays, STRTROWMC3, ENDROWMC3, STRTCOLMC3, ENDCOLMC3, \n & data_jdate, data_jtime, cio_grid_data(begin:end) ) ) THEN\n XMSG = 'Could not extract ' // MET_CRO_3D // ' file'\n CALL M3EXIT ( PNAME, data_jdate, data_jtime, XMSG, XSTAT1 )\n END IF\n#endif\n else if (cio_grid_var_name(v,2) == 'md3') then\n\n data_jdate = loc_jdate(f_met)\n data_jtime = loc_jtime(f_met)\n#ifdef twoway\n IF ( .NOT. INTERPX( MET_DOT_3D, cio_grid_var_name(v,1), PNAME,\n & STRTCOLMD3x, ENDCOLMD3x, STRTROWMD3x, ENDROWMD3x, 1, nlays, \n & data_jdate, data_jtime, cio_grid_data(begin:end) ) ) THEN\n XMSG = 'Could not extract ' // MET_DOT_3D // ' file'\n CALL M3EXIT ( PNAME, data_jdate, data_jtime, XMSG, XSTAT1 )\n END IF\n#else\n IF ( .NOT. XTRACT3( MET_DOT_3D, cio_grid_var_name(v,1), \n & 1, nlays, STRTROWMD3x, ENDROWMD3x, STRTCOLMD3x, ENDCOLMD3x, \n & data_jdate, data_jtime, cio_grid_data(begin:end) ) ) THEN\n XMSG = 'Could not extract ' // MET_DOT_3D // ' file'\n CALL M3EXIT ( PNAME, data_jdate, data_jtime, XMSG, XSTAT1 )\n END IF\n#endif\n#endif\n else if (cio_grid_var_name(v,2) == 'e2d') then\n\n str_len = len_trim(cio_grid_var_name(v,1))\n read (cio_grid_var_name(v,1)(str_len-2:str_len), *) fnum\n loc_vname = cio_grid_var_name(v,1)(1:str_len-4)\n\n#ifdef mpas\n floc = cio_emis_file_loc(fnum)\n\n if (.not. allocated(mpas_tdata)) then\n allocate (mpas_tdata(ncols, nlays), \n & temp_data_1d(ncols),\n & stat=stat)\n end if\n\n loc_mpas_time_stamp = mpas_loc_time_stamp(f_emis(fnum))\n\n call mio_fread (cio_emis_file_name(fnum),\n & loc_vname,\n & pname,\n & mpas_tdata,\n & loc_mpas_time_stamp)\n\n! de-normalized the data \n mpas_tdata = 0.0\n if ((cio_emis_file_name(fnum) .eq. exception1) .or. \n & (cio_emis_file_name(fnum) .eq. exception2)) then\n do i = 1, ncols\n do k = 1, num_dist_layers(i,fnum)\n mpas_tdata(i,k) = temp_data_1d(i) * dist_frac(k,i,fnum)\n end do\n end do\n else\n do i = 1, ncols\n do k = 1, num_dist_layers(i,fnum)\n mpas_tdata(i,k) = temp_data_1d(i) * dist_frac(k,i,fnum) !* cell_area(i,1)\n end do\n end do\n end if\n\n! do i = 1, ncols\n! mpas_tdata(i,:) = mpas_tdata(i,:) * cell_area(i,1)\n! end do\n\n cio_grid_data(begin:end) = reshape(mpas_tdata, (/ end-begin+1 /))\n\n#else\n\n ! Check if its a representative day on start-up (every other time it will\n ! be managed by the emissions processing) \n if (firstime) then \n if (file_sym_date(f_emis(fnum))) loc_jdate(f_emis(fnum)) = file_sdate(f_emis(fnum))\n end if\n data_jdate = loc_jdate(f_emis(fnum))\n data_jtime = loc_jtime(f_emis(fnum))\n\n IF ( .NOT. XTRACT3( cio_emis_file_name(fnum), loc_vname, 1, 1,\n & cio_emis_file_startrow(fnum), cio_emis_file_endrow(fnum),\n & cio_emis_file_startcol(fnum), cio_emis_file_endcol(fnum),\n & data_jdate, data_jtime, cio_grid_data(begin:end) ) ) THEN\n XMSG = 'Could not extract ' // cio_emis_file_name(fnum) // ' file'\n CALL M3EXIT ( PNAME, data_jdate, data_jtime, XMSG, XSTAT1 )\n END IF\n#endif\n\n else if (cio_grid_var_name(v,2) == 'e3d') then\n\n str_len = len_trim(cio_grid_var_name(v,1))\n read (cio_grid_var_name(v,1)(str_len-2:str_len), *) fnum\n loc_vname = cio_grid_var_name(v,1)(1:str_len-4)\n\n#ifdef mpas\n floc = cio_emis_file_loc(fnum)\n\n if (.not. allocated(mpas_tdata)) then\n allocate (mpas_tdata(ncols, nlays), \n & temp_data_1d(ncols),\n & stat=stat)\n end if\n\n file_tstep(f_emis(fnum)) = mio_file_data(floc)%tstep\n\n ! Check if its a representative day on start-up (every other\n ! time it will be managed by the emissions processing)\n if (firstime) then\n if (file_sym_date(f_emis(fnum))) loc_jdate(f_emis(fnum)) = file_sdate(f_emis(fnum))\n end if\n data_jdate = loc_jdate(f_emis(fnum))\n data_jtime = loc_jtime(f_emis(fnum))\n\n call mio_time_format_conversion (data_jdate, data_jtime, loc_mpas_time_stamp)\n\n call mio_fread (cio_emis_file_name(fnum),\n & loc_vname,\n & pname,\n & temp_data_1d,\n & loc_mpas_time_stamp)\n\n cio_mpas_grid_data_tstamp(buf_loc, v) = loc_mpas_time_stamp\n\n call mio_time_format_conversion (loc_mpas_time_stamp, data_jdate, data_jtime)\n\n! de-normalized the data \n mpas_tdata = 0.0\n do i = 1, ncols\n do k = 1, num_dist_layers(i,fnum)\n! mpas_tdata(i,k) = temp_data_1d(i) * dist_frac(k,i,fnum)\n mpas_tdata(i,k) = temp_data_1d(i) * dist_frac(k,i,fnum) * cell_area(i,1)\n end do\n end do\n\n t_beg = begin\n t_end = begin + ncols - 1\n do k = 1, nlays\n cio_grid_data(t_beg:t_end) = mpas_tdata(:,k)\n t_beg = t_end + 1\n t_end = t_end + ncols\n end do\n\n#else\n ! Check if its a representative day on start-up (every other time it will\n ! be managed by the emissions processing) \n if (firstime) then \n if (file_sym_date(f_emis(fnum))) loc_jdate(f_emis(fnum)) = file_sdate(f_emis(fnum))\n end if\n data_jdate = loc_jdate(f_emis(fnum))\n data_jtime = loc_jtime(f_emis(fnum))\n\n IF ( .NOT. XTRACT3( cio_emis_file_name(fnum), loc_vname,\n & 1, cio_emis_file_layer(fnum), \n & cio_emis_file_startrow(fnum), cio_emis_file_endrow(fnum),\n & cio_emis_file_startcol(fnum), cio_emis_file_endcol(fnum),\n & data_jdate, data_jtime, cio_grid_data(begin:end) ) ) THEN\n XMSG = 'Could not extract ' // cio_emis_file_name(fnum) // ' file'\n CALL M3EXIT ( PNAME, data_jdate, data_jtime, XMSG, XSTAT1 )\n END IF\n\n#endif\n\n else if (cio_grid_var_name(v,2) == 'ic') then\n\n#ifndef mpas\n data_jdate = loc_jdate(f_icon)\n data_jtime = loc_jtime(f_icon)\n\n if (iter == 1) then\n \n IF ( .NOT. XTRACT3( ICFILE, cio_grid_var_name(v,1),\n & 1, nlays, STRTROWIC, ENDROWIC, STRTCOLIC, ENDCOLIC, \n & data_jdate, data_jtime, cio_grid_data(begin:end) ) ) THEN\n XMSG = 'Could not extract ' // ICFILE // ' file'\n CALL M3EXIT ( PNAME, data_jdate, data_jtime, XMSG, XSTAT1 )\n END IF\n end if\n#endif\n\n else if (cio_grid_var_name(v,2) == 'is') then\n\n#ifndef mpas\n data_jdate = loc_jdate(f_is_icon)\n data_jtime = loc_jtime(f_is_icon)\n\n if ((iter == 1) .and. (ISAM_NEW_START == 'N')) then\n \n IF ( .NOT. XTRACT3( ISAM_PREVDAY, cio_grid_var_name(v,1),\n & 1, nlays, STRTROWISIC, ENDROWISIC, STRTCOLISIC, ENDCOLISIC, \n & data_jdate, data_jtime, cio_grid_data(begin:end) ) ) THEN\n XMSG = 'Could not extract ' // ISAM_PREVDAY // ' file'\n CALL M3EXIT ( PNAME, data_jdate, data_jtime, XMSG, XSTAT1 )\n END IF\n end if\n#endif\n\n else if (cio_grid_var_name(v,2) == 'lnt') then\n\n#ifndef mpas\n data_jdate = loc_jdate(f_ltng)\n data_jtime = loc_jtime(f_ltng)\n\n IF ( .NOT. XTRACT3( NLDN_STRIKES, cio_grid_var_name(v,1), \n & 1, cio_LTLYRS, STRTROWLNT, ENDROWLNT, STRTCOLLNT, ENDCOLLNT, \n & data_jdate, data_jtime, cio_grid_data(begin:end) ) ) THEN\n XMSG = 'Could not extract ' // NLDN_STRIKES // ' file'\n CALL M3EXIT ( PNAME, data_jdate, data_jtime, XMSG, XSTAT1 )\n END IF\n#endif\n\n else\n CALL M3EXIT( 'Centralized I/O',0,0,' ==d== UNKOWN Type of File',1 )\n end if\n\n cio_grid_data_tstamp(1, buf_loc, v) = data_jdate\n cio_grid_data_tstamp(2, buf_loc, v) = data_jtime\n\n end do\n\n#ifndef mpas\n! assign TEMPG to TSEASFC when TSEASFC is not available in the input file\n if (.not. TSEASFC_AVAIL) then\n begin = cio_grid_data_inx(1,buf_loc,tempg_loc)\n end = cio_grid_data_inx(2,buf_loc,tempg_loc)\n i = cio_grid_data_inx(1,buf_loc,tseasfc_loc)\n j = cio_grid_data_inx(2,buf_loc,tseasfc_loc)\n cio_grid_data(i:j) = cio_grid_data(begin:end)\n end if\n\n CALL NEXTIME ( loc_jdate(f_met), loc_jtime(f_met), file_tstep(f_met) )\n if (NLDNSTRIKE) then\n CALL NEXTIME ( loc_jdate(f_ltng), loc_jtime(f_ltng), file_tstep(f_ltng) )\n end if\n CALL NEXTIME ( loc_jdate(f_bcon), loc_jtime(f_bcon), file_tstep(f_bcon) )\n#endif\n\n do i = 1, N_FILE_GR\n CALL NEXTIME ( loc_jdate(f_emis(i)), loc_jtime(f_emis(i)), file_tstep(f_emis(i)) )\n end do\n\n end do ! end iter\n\n if (firstime) then\n firstime = .false.\n head_grid = 0\n tail_grid = 1\n else\n do v = beg_v, end_v\n head_grid(v) = mod(head_grid(v)+1, 2)\n tail_grid(v) = mod(tail_grid(v)+1, 2)\n end do\n end if\n\n#ifdef mpas\n pre_jdate = jdate\n pre_jtime = jtime\n#endif\n deallocate (loc_jdate, loc_jtime)\n\n end subroutine retrieve_time_dep_gridded_data\n\n! -------------------------------------------------------------------------\n subroutine retrieve_lufrac_cro_data\n\n USE UTILIO_DEFN\n USE HGRD_DEFN\n USE LSM_Mod, ONLY: n_lufrac, init_lsm\n\n INCLUDE SUBST_FILES_ID ! file name parameters\n\n Character( 40 ), parameter :: pname = 'retrieve_lufrac_cro_data'\n integer :: startcol, endcol, startrow, endrow, gxoff, gyoff\n\n CHARACTER( 120 ) :: XMSG = ' '\n INTEGER :: STAT, n, c\n\n CALL INIT_LSM( 0, 0 )\n\n allocate (LUFRAC(ncols, nrows, n_lufrac), STAT=STAT)\n IF ( STAT .NE. 0 ) THEN\n XMSG = 'Failure allocating LUFRAC array'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT3 )\n END IF\n\n#ifdef mpas\n do n = 1, n_lufrac\n do c = 1, ncols\n lufrac(c,1,n) = lufrac_data(n,c)\n end do\n end do\n#else\n CALL SUBHFILE ( LUFRAC_CRO, GXOFF, GYOFF,\n & startcol, endcol, startrow, endrow )\n\n IF ( .Not. XTRACT3( LUFRAC_CRO, 'LUFRAC',\n & 1, n_lufrac, startrow, endrow, startcol, endcol,\n & 0, 0, LUFRAC ) ) THEN\n XMSG = 'Error interpolating variable LUFRAC from ' // LUFRAC_CRO\n Call M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n#endif\n\n end subroutine retrieve_lufrac_cro_data\n\n!-----------------------------------------------------------------------\n SUBROUTINE DESID_INIT_REGIONS( )\n!\n! This subroutine defines several hardcoded rules for emissions\n! scaling that will apply by default. These include subtracting NH3\n! from fertilizer emissions if BiDi is turned on, moving all\n! sulfuric acid vapor to the particle phase upon emission and\n! splitting up the coarse mode anthropogenic emissions mass into\n! speciated compounds.\n!----------------------------------------------------------------------- \n USE GRID_CONF\n USE UTILIO_DEFN\n USE desid_param_module\n USE UTIL_FAMILY_MODULE\n USE UTILIO_DEFN\n#ifdef mpas\n USE util_module, only : index1, upcase\n#else\n#ifdef parallel\n USE SE_MODULES ! stenex (using SE_UTIL_MODULE,SE_DATA_COPY_MODULE)\n#else\n USE NOOP_MODULES ! stenex (using NOOP_UTIL_MODULE,NOOP_DATA_COPY_MODULE)\n#endif\n#endif\n\n#ifdef sens\n USE DDM3D_DEFN, ONLY: NP, NPMAX, S_NRGN, S_RGNLBL, IREGION\n#endif\n\n IMPLICIT NONE\n \n TYPE( DESID_REG_TYPE) :: DESID_REG_READ( DESID_MAX_REG )\n INTEGER, PARAMETER :: NFILE0 = 200\n CHARACTER( 32 ) :: FILENAMES( NFILE0 ) = ''\n CHARACTER( 32 ) :: VNAME\n\n INTEGER :: IRGN, NFILE, IDX, IFILE, IREAD, IVAR, IFAM, JRGN\n INTEGER :: GXOFF, GYOFF, ENDCOL, ENDROW, STARTCOL, STARTROW\n INTEGER :: N_REG_RULE\n CHARACTER( 16 ) :: PNAME = \"DESID_INIT_REGIONS\"\n CHARACTER( 250) :: XMSG\n REAL, ALLOCATABLE :: REG_FACI(:,:), REG_FACJ(:,:)\n integer :: ldate, ltime, floc\n CHARACTER( 16 ) :: lvname\n\n ! Find the total number of regions to be processed\n N_REG_RULE = 0 ! The first region is the entire domain\n DO IRGN = 1,DESID_MAX_REG\n IF ( DESID_REG_NML( IRGN )%LABEL .EQ. '' ) EXIT\n N_REG_RULE = N_REG_RULE + 1\n END DO\n\n ! Allocate Vectors and Arrays for Each Region\n ALLOCATE( DESID_REG( DESID_MAX_REG ) )\n DESID_REG( 1 )%LABEL = 'EVERYWHERE'\n DESID_REG( 1 )%FILE = 'N/A'\n DESID_REG( 1 )%VAR = 'N/A'\n DESID_REG( 1 )%FILENUM = 1\n DESID_N_REG = 1\n \n ALLOCATE( DESID_REG_FAC( NCOLS,NROWS,DESID_MAX_REG ) )\n DESID_REG_FAC = 0.0\n DESID_REG_FAC( :,:,1 ) = 1.0\n\n ! Populate global Region properties structure. Also assign each\n ! region a number according to the file it comes from. 1 =\n ! domain-wide.\n NFILE = 1\n FILENAMES( 1 ) = 'N/A'\n\n IF ( N_REG_RULE .GT. 0 ) THEN\n DO IREAD = 1,N_REG_RULE\n CALL UPCASE( DESID_REG_NML( IREAD )%LABEL )\n CALL UPCASE( DESID_REG_NML( IREAD )%FILE )\n CALL UPCASE( DESID_REG_NML( IREAD )%VAR )\n\n DESID_REG_READ( IREAD )%LABEL = DESID_REG_NML( IREAD )%LABEL ! Region Name\n DESID_REG_READ( IREAD )%FILE = DESID_REG_NML( IREAD )%FILE ! Logical filename\n DESID_REG_READ( IREAD )%VAR = DESID_REG_NML( IREAD )%VAR ! Variable from file \n ! used to inform mask\n\n IDX = INDEX1( DESID_REG_READ( IREAD )%FILE, NFILE, FILENAMES(1:NFILE) )\n IF ( IDX .NE. 0 ) THEN\n DESID_REG_READ( IREAD )%FILENUM = IDX\n ELSE\n NFILE = NFILE + 1\n DESID_REG_READ( IREAD )%FILENUM = NFILE\n FILENAMES( NFILE ) = DESID_REG_READ( IREAD )%FILE\n END IF \n END DO\n \n ! Process each region by looping through the pertinent files, \n ! look up maps and save the data in a global array\n DO IFILE = 1,NFILE\n IF ( FILENAMES( IFILE ) .EQ. 'N/A' ) CYCLE\n \n#ifdef mpas\n floc = mio_search (filenames( ifile ))\n\n ldate = 0\n ltime = 0\n#else\n ! Get domain decomp info from the emissions file\n CALL SUBHFILE ( FILENAMES( IFILE ), GXOFF, GYOFF,\n & STARTCOL, ENDCOL, STARTROW, ENDROW )\n \n ! Open input file\n IF ( .NOT. OPEN3( FILENAMES( IFILE ), FSREAD3, PNAME ) ) THEN\n XMSG = 'Could not open '// FILENAMES( IFILE ) // ' file'\n CALL M3EXIT( PNAME, STDATE, STTIME, XMSG, XSTAT1 )\n END IF\n n_opened_file = n_opened_file + 1\n \n ! Retrieve File Header Information\n IF ( .NOT. DESC3( FILENAMES( IFILE ) ) ) THEN\n XMSG = 'Could not get ' // FILENAMES( IFILE ) // ' file description'\n CALL M3EXIT( PNAME, STDATE, STTIME, XMSG, XSTAT1 )\n END IF\n \n#endif\n\n ! Read data from regions file into region array \n DO IREAD = 1,N_REG_RULE\n IF ( DESID_REG_READ( IREAD )%FILENUM .EQ. IFILE ) THEN\n IF ( DESID_REG_READ( IREAD )%VAR .EQ. 'ALL' ) THEN\n ! Populate the region array with all of the\n ! variables on this file\n IF ( DESID_REG_READ( IREAD )%LABEL .NE. 'ALL' ) THEN\n XMSG = 'Error reading Region input in Emissions Control file.'//\n & 'If the variable name is set to \"ALL\", then the label must'//\n & 'also be set to \"ALL\".'\n CALL M3EXIT( PNAME, STDATE, STTIME, XMSG, XSTAT1 )\n ELSE \n#ifdef mpas\n DO IVAR = 1, cio_emis_nvars(ifile)\n lvname = mio_file_data(floc)%var_name(ivar)\n#else\n DO IVAR = 1,NVARS3D\n lvname = vname3d( ivar )\n#endif\n DESID_N_REG = DESID_N_REG + 1\n DESID_REG( DESID_N_REG )%LABEL = lvname\n DESID_REG( DESID_N_REG )%VAR = lvname\n DESID_REG( DESID_N_REG )%FILE = DESID_REG_READ( IREAD )%FILE\n DESID_REG( DESID_N_REG )%FILENUM = DESID_REG_READ( IREAD )%FILENUM\n\n#ifdef mpas\n call mio_fread (FILENAMES(IFILE), lvname, pname, DESID_REG_FAC(:,1,DESID_N_REG))\n#else\n IF ( .NOT. XTRACT3( FILENAMES( IFILE ), VNAME3D(IVAR), 1, 1,\n & STARTROW, ENDROW, STARTCOL, ENDCOL,\n & 0, 0, DESID_REG_FAC( 1,1,DESID_N_REG ) ) ) Then\n XMSG = 'Could not read ' // VNAME3D(IVAR) //\n & 'from file ' // FILENAMES( IFILE ) \n CALL M3WARN ( PNAME, 0, 0, XMSG )\n End If\n#endif\n\n END DO\n END IF\n ELSE\n ! Populate the region array with only this variable\n DESID_N_REG = DESID_N_REG + 1\n DESID_REG( DESID_N_REG ) = DESID_REG_READ( IREAD )\n VNAME = DESID_REG_READ( IREAD )%VAR\n\n#ifdef mpas\n call mio_fread (FILENAMES(IFILE), VNAME, pname, DESID_REG_FAC(:,1,DESID_N_REG))\n#else\n IF ( .NOT. XTRACT3( FILENAMES( IFILE ), VNAME, 1, 1,\n & STARTROW, ENDROW, STARTCOL, ENDCOL,\n & 0, 0, DESID_REG_FAC( 1,1,DESID_N_REG ) ) ) Then\n XMSG = 'Could not read ' // VNAME //\n & 'from file ' // FILENAMES( IFILE ) \n CALL M3WARN ( PNAME, 0, 0, XMSG )\n End If\n#endif\n\n END IF\n END IF\n END DO\n\n#ifndef mpas\n ! Close Regions File\n IF ( .NOT. CLOSE3( FILENAMES( IFILE ) ) ) THEN\n XMSG = 'Could not close ' // FILENAMES( IFILE )\n CALL M3EXIT( PNAME, SDATE3D, STIME3D, XMSG, XSTAT1 )\n END IF\n#endif\n \n ! Error Check the Regions Array\n ! Any Negatives?\n DO IRGN = 1,DESID_N_REG\n IF ( ANY( DESID_REG_FAC( :,:,IRGN ) .LT. 0.0 ) ) THEN\n XMSG = 'Region ' // TRIM( DESID_REG( IRGN )%LABEL) // ' on file ' //\n & TRIM( FILENAMES( IFILE )) // ' contains a ' //\n & 'negative value. The expected range is 0-1.'\n CALL M3EXIT( PNAME, STDATE, STTIME, XMSG, 1 )\n ELSE IF ( ANY( DESID_REG_FAC( :,:,IRGN ) .GT. 1.01 ) ) THEN\n XMSG = 'Region ' // TRIM( DESID_REG( IRGN )%LABEL) // ' on file ' //\n & TRIM( FILENAMES( IFILE )) // ' contains a ' //\n & 'value greater than 1. The expected range is 0-1.'\n CALL M3EXIT( PNAME, STDATE, STTIME, XMSG, 1 )\n END IF\n \n ! Condition mask values to be at most 1.0\n DESID_REG_FAC( :,:,IRGN ) = MIN( 1.0, DESID_REG_FAC( :,:,IRGN ) )\n\n END DO\n \n END DO ! IFILE\n \n ! Augment Emission Region Structure with Region Families\n DO IFAM = 1,Desid_N_Reg_Fams\n DESID_N_REG = DESID_N_REG + 1\n CALL UPCASE( RegionFamilyName( IFAM ) )\n DESID_REG( DESID_N_REG )%LABEL = RegionFamilyName( IFAM )\n DESID_REG( DESID_N_REG )%VAR = 'Family'\n DESID_REG( DESID_N_REG )%FILE = 'Family'\n DESID_REG( DESID_N_REG )%FILENUM = 0\n\n DO IRGN = 1,RegionFamilyNum( IFAM )\n CALL UPCASE( RegionFamilyMembers( IFAM,IRGN ) )\n JRGN = INDEX1( RegionFamilyMembers( IFAM,IRGN ), DESID_N_REG-1,\n & DESID_REG( 1:(DESID_N_REG-1) )%VAR )\n IF ( JRGN .GT. 0 ) \n & DESID_REG_FAC( :,:,DESID_N_REG ) = \n & MIN( 1.0, DESID_REG_FAC( :,:,DESID_N_REG ) + \n & DESID_REG_FAC( :,:,JRGN ) )\n END DO\n END DO\n END IF\n\n DESID_REG = DESID_REG( 1:DESID_N_REG )\n DESID_REG_FAC = DESID_REG_FAC( :,:,1:DESID_N_REG )\n\n ! Determine Which Regions are Subsets of Larger Regions and\n ! save special relationship for use in EMISS_SCALING.\n ALLOCATE( DESID_REG_SUB( DESID_N_REG, DESID_N_REG ) )\n DESID_REG_SUB(:,:) = .FALSE. ! Initialize with no region subsets\n DESID_REG_SUB(1,:) = .TRUE. ! All regions are a subset of Region 1 (Everywhere)\n DESID_REG_SUB(1,1) = .FALSE. ! No regions are subsets of themselves\n\n ALLOCATE( REG_FACI(GL_NCOLS,GL_NROWS), \n & REG_FACJ(GL_NCOLS,GL_NROWS) )\n\n DO IRGN = 2,DESID_N_REG\n#ifndef mpas\n#ifdef parallel\n CALL SUBST_GLOBAL_GATHER( DESID_REG_FAC(:,:,IRGN), REG_FACI )\n#else \n REG_FACI = DESID_REG_FAC(:,:,IRGN)\n#endif\n#endif\n DO JRGN = 1,DESID_N_REG\n#ifndef mpas\n#ifdef parallel\n CALL SUBST_GLOBAL_GATHER( DESID_REG_FAC(:,:,JRGN), REG_FACJ )\n#else \n REG_FACJ = DESID_REG_FAC(:,:,JRGN)\n#endif\n#endif\n IF ( MYPE .EQ. 0 ) THEN\n IF ( JRGN .NE. IRGN .AND.\n & ANY( REG_FACJ(:,:) .GT. 0. ) .AND.\n & ALL( REG_FACI(:,:)+1.0E-6 .GT.\n & REG_FACJ(:,:) ) ) THEN\n ! Assume JRGN is a subset of IRGN. Both have to be\n ! non-zero somewhere in the domain.\n DESID_REG_SUB( IRGN,JRGN ) = .TRUE.\n END IF\n END IF ! Only perform algorithm on main processor\n END DO\n END DO\n\n DEALLOCATE( REG_FACI, REG_FACJ )\n\n#ifndef mpas\n#ifdef parallel\n CALL SUBST_GLOBAL_BCAST( DESID_REG_SUB )\n#endif\n#endif\n\n#ifdef sens\n! Populate IREGION(NCOLS,NROW,NLAYS,NPMAX) with regions data if specified\n!'\n\n DO NP = 1, NPMAX\n IF ( S_NRGN( NP ) .GT. 0 .AND. S_NRGN( NP ) .LT. 99 ) THEN ! \n DO IRGN = 1, S_NRGN( NP )\n IREAD = INDEX1( S_RGNLBL(NP,IRGN), DESID_N_REG, DESID_REG%LABEL ) ! identify region\n IF ( IREAD .EQ. 0 ) THEN\n XMSG = \" User specified DDM3D region - \" //\n & TRIM( S_RGNLBL(NP,IRGN) ) //\n & \" - not found in available emissions regions. \" //\n & \" Check sensinput.dat file \"\n WRITE(LOGDEV,*) \" Available region definitions: \"\n DO IFILE = 1, DESID_N_REG\n WRITE(LOGDEV,*) IFILE, DESID_REG( IFILE )%LABEL\n END DO\n CALL M3EXIT( PNAME, 1, 1, XMSG, XSTAT1 )\n ELSE\n IREGION(:,:,1,NP) = IREGION( :,:,1,NP )\n & + DESID_REG_FAC( :,:,IREAD )\n END IF\n END DO\n! Limit IREGION to < 1.0 incase some regions overlap.\n IREGION(:,:,:,NP) = MIN ( IREGION(:,:,:,NP), 1.0 )\n! Copy up to layers above\n DO IFILE = 1, NLAYS\n IREGION(:,:,IFILE,NP) = IREGION(:,:,1,NP)\n END DO\n END IF\n END DO\n\n#endif\n \n END SUBROUTINE DESID_INIT_REGIONS\n\n!-----------------------------------------------------------------------\n SUBROUTINE DESID_READ_NAMELIST( )\n!\n! This subroutine opens and reads the Emissions Control Namelist. It \n! attempts to deal with errors like missing file or missing file \n! sections by error checking and setting defaults.\n!-----------------------------------------------------------------------\n\n use desid_param_module\n use util_family_module\n use RUNTIME_VARS, only: MISC_CTRL, DESID_CTRL, DESID_CHEM_CTRL,\n & logdev, log_message, log_subheading\n use PA_DEFN, ONLY : BudgetVariables, MAX_BUDGET_VARS_NML, BUDGET_DIAG\n#ifdef mpas\n use util_module, only : junit, upcase\n#endif\n use utilio_defn\n\n IMPLICIT NONE\n\n ! Define Dummy Variables for Opening Emission Control Namelist\n CHARACTER( 300 ) :: XMSG \n INTEGER :: Desid_N_Diag_Rules, Desid_Max_Area, Desid_Max_Sd\n INTEGER :: FUNIT\n INTEGER :: IOST, IFAM, INUM, IRULE\n CHARACTER( 200 ) :: TMPLINE\n \n ! Define Namelist Input from Control Files\n ! CMAQ Control Util\n Namelist / Budget_Options / Budget_Diag, BudgetVariables\n \n ! DESID Chem Control\n Namelist / Desid_ScalingVars / Desid_Max_Rules\n Namelist / Desid_Scaling / Desid_Rules_Nml\n \n ! DESID Control\n Namelist / Desid_Options / Desid_MaxLays\n\n Namelist / Desid_AreaNormVars / Desid_Max_Area\n Namelist / Desid_AreaNorm / Desid_Area_Nml\n\n Namelist / Desid_SizeDistVars / Desid_Max_Sd\n Namelist / Desid_SizeDist / Desid_Sd_Nml\n\n Namelist / Desid_RegionDefVars / Desid_Max_Reg,\n & Desid_N_Reg_Fams, \n & Desid_Max_Reg_Fam_Members\n Namelist / Desid_RegionDef / Desid_Reg_Nml\n\n Namelist / Desid_DiagVars / Desid_N_Diag_Rules,\n & Desid_Max_Diag_Streams,\n & Desid_Max_Diag_Spec\n Namelist / Desid_Diag / Desid_Diag_Streams_Nml,\n & Desid_Diag_Fmt_Nml, \n & Desid_Diag_Spec_Nml\n\n CALL LOG_MESSAGE( LOGDEV, ' ' )\n CALL LOG_SUBHEADING( LOGDEV, 'Reading Emission Control Namelist')\n \n !!! Budget Options !!!\n ! Allocate and Initialize Budget Variables\n Budget_Diag = .FALSE.\n ALLOCATE( BudgetVariables( Max_Budget_Vars_Nml ) )\n BudgetVariables = ''\n \n ! Retrieve the Name of the Emission Control File\n IF ( MISC_CTRL .EQ. \"MISC_CTRL_NML\" ) THEN\n XMSG = 'You have chosen not to indicate the location of an' //\n & 'CMAQ Control namelist file. You must give a value ' //\n & 'for the MISC_CTRL variable in the CMAQ runscript.'\n CALL M3EXIT( 'DESID_READ_NAMELIST',0,0,XMSG,1 )\n END IF\n \n ! Open Emission Control Namelist File\n FUNIT = JUNIT()\n OPEN( FILE = MISC_CTRL, UNIT = FUNIT, STATUS = 'OLD',\n & POSITION = 'REWIND', FORM='FORMATTED', IOSTAT = IOST )\n \n ! Check for Error in File Open Process\n IF ( IOST .NE. 0 ) THEN\n WRITE( XMSG, '(A,A,A)' ),'ERROR: Could not read ',\n & 'CMAQ control namelist file: ',TRIM( MISC_CTRL )\n CALL M3EXIT( 'DESID_READ_NAMELIST',0,0,XMSG,1 )\n END IF\n \n ! Read Budget Variables Specification Section\n REWIND( FUNIT )\n READ( NML = Budget_Options, UNIT = FUNIT, IOSTAT= IOST )\n IF ( IOST .EQ. -1 ) THEN\n WRITE( LOGDEV, \"(5x,A,/,5x,A,/,5x,A,/,5x,A)\" ),\n & 'Note: The BudgetOptions section of the Emissions Control ',\n & 'Namelist is missing. Default values for this section will be ',\n & 'assumed.'\n Budget_Diag = .FALSE.\n BudgetVariables = 'ALL'\n ELSE IF ( IOST .NE. 0 ) THEN\n ! Read Error Detected for BudgetOptions\n backspace( FUNIT )\n read( FUNIT, fmt='(A)' ) tmpline\n XMSG = 'ERROR: There was a syntax error reading the Budget_Options '//\n & 'variable in the CMAQ control namelist. Please check the format of '//\n & 'each line for syntax errors. The invalid line was likely: '\n CALL LOG_MESSAGE( LOGDEV, ' ')\n CALL LOG_MESSAGE( LOGDEV, XMSG )\n WRITE( LOGDEV, '(8x,A)' ) TMPLINE\n CALL M3EXIT ( 'DESID_READ_NAMELIST', 0, 0, 'CMAQ must Crash until you '//\n & 'fix the Budget Variables specification', 1 ) \n END IF\n ! Capitalize All Budget Variables Names\n DO IFAM = 1,Max_Budget_Vars_Nml\n CALL UPCASE( BudgetVariables( IFAM ) )\n END DO\n \n CLOSE( FUNIT )\n\n !----------------------------!\n !!! DESID Chemical Mapping !!!\n ! Retrieve the Name of the Emission Control File\n IF ( DESID_CHEM_CTRL .EQ. \"DESID_CHEM_CTRL_NML\" ) THEN\n XMSG = 'You have chosen not to indicate the location of an' //\n & 'Emission Control namelist file. You must give a value ' //\n & 'for the DESID_CHEM_CTRL variable in the CMAQ runscript.'\n CALL M3EXIT( 'DESID_READ_NAMELIST',0,0,XMSG,1 )\n END IF\n \n ! Open Emission Control Namelist File\n FUNIT = JUNIT()\n OPEN( FILE = DESID_CHEM_CTRL, UNIT = FUNIT, STATUS = 'OLD',\n & POSITION = 'REWIND', FORM='FORMATTED', IOSTAT = IOST )\n \n ! Check for Error in File Open Process\n IF ( IOST .NE. 0 ) THEN\n WRITE( XMSG, '(A,A,A)' ),'ERROR: Could not read ',\n & 'emissions control namelist file: ',TRIM( DESID_CHEM_CTRL )\n CALL M3EXIT( 'DESID_READ_NAMELIST',0,0,XMSG,1 )\n END IF\n \n ! Read the number of Max Emissions Rules to inform scaling operations\n REWIND( FUNIT )\n READ( NML = Desid_ScalingVars, UNIT = FUNIT, IOSTAT=IOST )\n IF ( IOST .EQ. -1 ) THEN\n ! The DESID_Max_Rules Variable was completely missing\n XMSG = 'WARNING: Maximum Number of DESID Scaling Rules was not specified. '//\n & 'If you intended to specify Desid_Max_Rules, check the DESID_CHEM_CTRL file.'\n CALL LOG_MESSAGE( LOGDEV, ' ')\n CALL LOG_MESSAGE( LOGDEV, XMSG )\n DESID_MAX_RULES = 500\n \n ELSE IF ( IOST .NE. 0 ) THEN\n ! Read Error Detected for DESID_RULES_NML\n backspace( FUNIT )\n read( FUNIT, fmt='(A)' ) tmpline\n XMSG = 'ERROR: There was a syntax error reading ithe max number of '//\n & 'Emission Scaling Rules for use by the DESID module. Please '//\n & 'check the format of each line for syntax errors. The '//\n & 'invalid line was likely: '\n CALL LOG_MESSAGE( LOGDEV, ' ')\n CALL LOG_MESSAGE( LOGDEV, XMSG )\n WRITE( LOGDEV, '(8x,A)' ) TMPLINE\n CALL M3EXIT ( 'DESID_READ_NAMELIST', 0, 0, 'CMAQ must Crash until you '//\n & 'fix Desid_Max_Rules', 1 )\n END IF\n \n ! Allocate Initialize Namelist Variables\n ALLOCATE( DESID_RULES_NML( DESID_MAX_RULES ), STAT=IOST )\n CALL CHECKMEM( IOST, 'DESID_RULES_NML','DESID_READ_NAMELIST')\n DESID_RULES_NML%REGION = ''\n DESID_RULES_NML%STREAM = ''\n DESID_RULES_NML%EMVAR = ''\n DESID_RULES_NML%SPEC = ''\n DESID_RULES_NML%PHASE = ''\n DESID_RULES_NML%OP = ''\n DESID_RULES_NML%BASIS = ''\n DESID_RULES_NML%FAC = 0.\n \n ! Read the Emissions Rules to inform scaling operations\n REWIND( FUNIT )\n READ( NML = Desid_Scaling, UNIT = FUNIT, IOSTAT=IOST )\n IF ( IOST .EQ. -1 ) THEN\n ! The DESID_RULES_NML Variable was completely missing\n XMSG = 'WARNING: There were no valid Emission Scaling Rules specified '//\n & 'for use by the DESID module. If you intended to specify '//\n & 'rules in the emission control file, check the file you have '//\n & 'provided for DESID_CHEM_CTRL.' \n CALL LOG_MESSAGE( LOGDEV, ' ')\n CALL LOG_MESSAGE( LOGDEV, XMSG )\n DESID_RULES_NML%REGION = ''\n DESID_RULES_NML%STREAM = ''\n DESID_RULES_NML%EMVAR = ''\n DESID_RULES_NML%SPEC = ''\n DESID_RULES_NML%PHASE = ''\n DESID_RULES_NML%OP = ''\n DESID_RULES_NML%BASIS = ''\n DESID_RULES_NML%FAC = 0.\n \n ELSE IF ( IOST .NE. 0 ) THEN\n ! Read Error Detected for DESID_RULES_NML\n backspace( FUNIT )\n read( FUNIT, fmt='(A)' ) tmpline\n XMSG = 'ERROR: There was a syntax error reading Emission Scaling '//\n & 'Rules for use by the DESID module. Please check the format of '//\n & 'each line for syntax errors. The invalid line was likely: '\n CALL LOG_MESSAGE( LOGDEV, ' ')\n CALL LOG_MESSAGE( LOGDEV, XMSG )\n WRITE( LOGDEV, '(8x,A)' ) TMPLINE\n CALL M3EXIT ( 'DESID_READ_NAMELIST', 0, 0, 'CMAQ must Crash until you '//\n & 'fix the Emission Scaling Rules', 1 )\n END IF\n \n CALL LOG_MESSAGE( LOGDEV,' ' )\n CALL LOG_MESSAGE( LOGDEV,'Performing Basic Error Checks for Emission Scaling Rules' )\n \n ! Check that the operator field is correct since it has not so\n ! many possible values.\n DO IRULE = 1,DESID_MAX_RULES\n IF( DESID_RULES_NML( IRULE )%SPEC .EQ. '' ) EXIT\n IF( DESID_RULES_NML( IRULE )%OP .NE. 'a' .AND. DESID_RULES_NML( IRULE )%OP .NE. 'A' .AND.\n & DESID_RULES_NML( IRULE )%OP .NE. 'o' .AND. DESID_RULES_NML( IRULE )%OP .NE. 'O'.AND.\n & DESID_RULES_NML( IRULE )%OP .NE. 'm' .AND. DESID_RULES_NML( IRULE )%OP .NE. 'M' ) THEN\n WRITE( XMSG, '(A23,I4,A27,A3)'),'Emission Scaling Rule #',IRULE,\n & ' has a bad operator value: ',DESID_RULES_NML(IRULE)%OP\n call m3exit ( 'DESID_READ_NAMELIST', 0, 0, XMSG, 1 )\n END IF\n ENDDO \n \n CLOSE( FUNIT )\n\n !-----------------------------!\n !!! Open DESID Control File !!!\n !-----------------------------!\n ! Retrieve the Name of the Emission Control File\n IF ( DESID_CTRL .EQ. \"DESID_CTRL_NML\" ) THEN\n XMSG = 'You have chosen not to indicate the location of an' //\n & 'Emission Control namelist file. You must give a value ' //\n & 'for the DESID_CTRL variable in the CMAQ runscript.'\n CALL M3EXIT( 'DESID_READ_NAMELIST',0,0,XMSG,1 )\n END IF\n\n ! Open Emission Control Namelist File\n FUNIT = JUNIT()\n OPEN( FILE = DESID_CTRL, UNIT = FUNIT, STATUS = 'OLD',\n & POSITION = 'REWIND', FORM='FORMATTED', IOSTAT = IOST )\n\n ! Check for Error in File Open Process\n IF ( IOST .NE. 0 ) THEN\n WRITE( XMSG, '(A,A,A)' ),'ERROR: Could not read ',\n & 'emissions control namelist file: ',TRIM( DESID_CTRL )\n CALL M3EXIT( 'DESID_READ_NAMELIST',0,0,XMSG,1 )\n END IF\n \n !----------------------!\n !!! DESID Top Layer !!!\n ! Read the Maximum Emissions Layer\n REWIND( FUNIT )\n READ( NML = Desid_Options, UNIT = FUNIT, IOSTAT=IOST )\n IF ( IOST .EQ. -1 ) THEN\n ! The Desid_Max_Lays Variable was completely missing\n XMSG = 'WARNING: Maximum Layer for emissions input was not specified. '//\n & 'If you intended to specify Desid_Max_Lays, check the DESID_CTRL file.'\n CALL LOG_MESSAGE( LOGDEV, ' ')\n CALL LOG_MESSAGE( LOGDEV, XMSG )\n Desid_MaxLays = 0\n \n ELSE IF ( IOST .NE. 0 ) THEN\n ! Read Error Detected for Desid_Max_Lays\n backspace( FUNIT )\n read( FUNIT, fmt='(A)' ) tmpline\n XMSG = 'ERROR: There was a syntax error reading the max number of '//\n & 'Emission Layers for use by the DESID module. Please '//\n & 'check the format of each line for syntax errors. The '//\n & 'invalid line was likely: '\n CALL LOG_MESSAGE( LOGDEV, ' ')\n CALL LOG_MESSAGE( LOGDEV, XMSG )\n WRITE( LOGDEV, '(8x,A)' ) TMPLINE\n CALL M3EXIT ( 'DESID_READ_NAMELIST', 0, 0, 'CMAQ must Crash until you '//\n & 'fix Desid_Max_Lays', 1 )\n END IF\n \n !------------------------------!\n !!! DESID Area Normalization !!!\n ! Read the number of Max Emissions Rules to inform scaling operations\n REWIND( FUNIT )\n READ( NML = Desid_AreaNormVars, UNIT = FUNIT, IOSTAT=IOST )\n IF ( IOST .EQ. -1 ) THEN\n ! The DESID_Max_Rules Variable was completely missing\n XMSG = 'WARNING: Maximum Number of DESID Area Normalization Rules was not specified. '//\n & 'If you intended to specify Desid_Max_Area, check the DESID_CTRL file.'\n CALL LOG_MESSAGE( LOGDEV, ' ')\n CALL LOG_MESSAGE( LOGDEV, XMSG )\n DESID_MAX_AREA = 30\n \n ELSE IF ( IOST .NE. 0 ) THEN\n ! Read Error Detected for DESID_RULES_NML\n backspace( FUNIT )\n read( FUNIT, fmt='(A)' ) tmpline\n XMSG = 'ERROR: There was a syntax error reading the max number of '//\n & 'Emission Area Normalization Rules for use by the DESID module. Please '//\n & 'check the format of each line for syntax errors. The '//\n & 'invalid line was likely: '\n CALL LOG_MESSAGE( LOGDEV, ' ')\n CALL LOG_MESSAGE( LOGDEV, XMSG )\n WRITE( LOGDEV, '(8x,A)' ) TMPLINE\n CALL M3EXIT ( 'DESID_READ_NAMELIST', 0, 0, 'CMAQ must Crash until you '//\n & 'fix Desid_Max_Area', 1 )\n END IF\n \n ! Allocate Initialize Namelist Variables\n ALLOCATE( DESID_AREA_NML( DESID_MAX_AREA ), STAT=IOST )\n CALL CHECKMEM( IOST, 'DESID_AREA_NML','DESID_READ_NAMELIST')\n DESID_AREA_NML%STREAM = 'ALL'\n DESID_AREA_NML%AREA = 'AUTO'\n DESID_AREA_NML%ADJ = 'AUTO'\n \n ! Read the Area Normalization Registry\n REWIND( FUNIT )\n READ( NML = Desid_AreaNorm, UNIT = FUNIT, IOSTAT=IOST )\n IF ( IOST .EQ. -1 ) THEN\n XMSG = 'Note: The Area Normalization section of the Emissions Control '//\n & 'Interface is missing. Default values for this section will be '//\n & 'assumed.'\n CALL LOG_MESSAGE( LOGDEV,' ')\n CALL LOG_MESSAGE( LOGDEV, XMSG )\n DESID_AREA_NML%STREAM = 'ALL'\n DESID_AREA_NML%AREA = 'AUTO'\n DESID_AREA_NML%ADJ = 'AUTO'\n ELSE IF ( IOST .NE. 0 ) THEN\n ! Read Error Detected for DESID_AREA_NML\n backspace( FUNIT )\n read( FUNIT, fmt='(A)' ) tmpline\n XMSG = 'ERROR: There was a syntax error reading the Area Normalization '//\n & 'variable for use by the DESID module. Please check the format of '//\n & 'each line for syntax errors. The invalid line was likely: '\n CALL LOG_MESSAGE( LOGDEV, ' ')\n CALL LOG_MESSAGE( LOGDEV, XMSG )\n WRITE( LOGDEV, '(8x,A)' ) TMPLINE\n CALL M3EXIT ( 'DESID_READ_NAMELIST', 0, 0, 'CMAQ must Crash until you '// \n & 'fix the Area Normalization section', 1 ) \n END IF\n \n !-----------------------------!\n !!! DESID Region Definition !!!\n ! Read the number of Max Emissions Rules to inform scaling operations\n REWIND( FUNIT )\n READ( NML = Desid_RegionDefVars, UNIT = FUNIT, IOSTAT=IOST )\n IF ( IOST .EQ. -1 ) THEN\n ! The DESID_Max_Rules Variable was completely missing\n XMSG = 'WARNING: Maximum Number of DESID Region Def Variables was not specified. '//\n & 'If you intended to specify Desid_Max_Reg, check the DESID_CTRL file.'\n CALL LOG_MESSAGE( LOGDEV, ' ')\n CALL LOG_MESSAGE( LOGDEV, XMSG )\n DESID_MAX_REG = 30\n \n ELSE IF ( IOST .NE. 0 ) THEN\n ! Read Error Detected for DESID_RULES_NML\n backspace( FUNIT )\n read( FUNIT, fmt='(A)' ) tmpline\n XMSG = 'ERROR: There was a syntax error reading the max number of '//\n & 'Region Definitions for use by the DESID module. Please '//\n & 'check the format of each line for syntax errors. The '//\n & 'invalid line was likely: '\n CALL LOG_MESSAGE( LOGDEV, ' ')\n CALL LOG_MESSAGE( LOGDEV, XMSG )\n WRITE( LOGDEV, '(8x,A)' ) TMPLINE\n CALL M3EXIT ( 'DESID_READ_NAMELIST', 0, 0, 'CMAQ must Crash until you '//\n & 'fix Desid_Max_Reg', 1 )\n END IF\n \n ! Allocate and Initialize Namelist Variables\n ALLOCATE( DESID_REG_NML( DESID_MAX_REG ), STAT=IOST )\n CALL CHECKMEM( IOST, 'DESID_REG_NML','DESID_READ_NAMELIST')\n DESID_REG_NML%LABEL = ''\n DESID_REG_NML%FILE = ''\n DESID_REG_NML%VAR = ''\n \n ! Read the Regions Registry\n REWIND( FUNIT )\n READ( NML = Desid_RegionDef, UNIT = FUNIT, IOSTAT=IOST )\n IF ( IOST .EQ. -1 ) THEN\n XMSG = 'Note: The Desid_RegionDef component of the Emissions Control '//\n & 'Interface is missing. Default values for this section will be '//\n & 'assumed.'\n CALL LOG_MESSAGE( LOGDEV,' ')\n CALL LOG_MESSAGE( LOGDEV, XMSG )\n DESID_REG_NML%LABEL = ''\n DESID_REG_NML%FILE = ''\n DESID_REG_NML%VAR = ''\n ELSE IF ( IOST .NE. 0 ) THEN\n ! Read Error Detected for DESID_REG_NML\n backspace( FUNIT )\n read( FUNIT, fmt='(A)' ) tmpline\n XMSG = 'ERROR: There was a syntax error reading the Desid_RegionDef '//\n & 'variable for use by the DESID module. Please check the format of '//\n & 'each line for syntax errors. The invalid line was likely: '\n CALL LOG_MESSAGE( LOGDEV, ' ')\n CALL LOG_MESSAGE( LOGDEV, XMSG )\n WRITE( LOGDEV, '(8x,A)' ) TMPLINE\n CALL M3EXIT ( 'DESID_READ_NAMELIST', 0, 0, 'CMAQ must Crash until you '//\n & 'fix Desid_RegionDef', 1 ) \n END IF\n \n \n !------------------------------!\n !!! DESID Size Distributions !!!\n ! Read the number of Max Size Dist Rules to inform scaling operations\n REWIND( FUNIT )\n READ( NML = Desid_SizeDistVars, UNIT = FUNIT, IOSTAT=IOST )\n IF ( IOST .EQ. -1 ) THEN\n ! The DESID_Max_Sd Variable was completely missing\n XMSG = 'WARNING: Maximum Number of DESID Size Dist Rules was not specified. '//\n & 'If you intended to specify Desid_Max_Sd, check the DESID_CTRL file.'\n CALL LOG_MESSAGE( LOGDEV, ' ')\n CALL LOG_MESSAGE( LOGDEV, XMSG )\n DESID_MAX_SD = 10\n \n ELSE IF ( IOST .NE. 0 ) THEN\n ! Read Error Detected for DESID_RULES_NML\n backspace( FUNIT )\n read( FUNIT, fmt='(A)' ) tmpline\n XMSG = 'ERROR: There was a syntax error reading the max number of '//\n & 'Size Distribution RUles for use by the DESID module. Please '//\n & 'check the format of each line for syntax errors. The '//\n & 'invalid line was likely: '\n CALL LOG_MESSAGE( LOGDEV, ' ')\n CALL LOG_MESSAGE( LOGDEV, XMSG )\n WRITE( LOGDEV, '(8x,A)' ) TMPLINE\n CALL M3EXIT ( 'DESID_READ_NAMELIST', 0, 0, 'CMAQ must Crash until you '//\n & 'fix Desid_Max_Sd', 1 )\n END IF\n \n ! Allocate and Initialize Namelist Variables\n ALLOCATE( DESID_SD_NML( DESID_MAX_SD ), STAT=IOST )\n CALL CHECKMEM( IOST, 'DESID_SD_NML','DESID_READ_NAMELIST') \n DESID_SD_NML%STREAM = ''\n DESID_SD_NML%MODE = ''\n DESID_SD_NML%MODE_REF = ''\n \n !!! Read the size distribution specification section\n REWIND( FUNIT )\n READ( NML = Desid_SizeDist, UNIT = FUNIT, IOSTAT=IOST )\n IF ( IOST .EQ. -1 ) THEN\n XMSG = 'Note: The Desid_SizeDist component of the Emissions Control '//\n & 'Interface is missing. Default values for this section '//\n & 'will be assumed.'\n CALL LOG_MESSAGE( LOGDEV,' ')\n CALL LOG_MESSAGE( LOGDEV, XMSG )\n DESID_SD_NML%STREAM = ''\n DESID_SD_NML%MODE = ''\n DESID_SD_NML%MODE_REF = ''\n ELSE IF ( IOST .NE. 0 ) THEN\n ! Read Error Detected for DESID_SD_NML\n backspace( FUNIT )\n read( FUNIT, fmt='(A)' ) tmpline\n XMSG = 'ERROR: There was a syntax error reading the Desid_SizeDist '//\n & 'variable for use by the DESID module. Please check the format of '//\n & 'each line for syntax errors. The invalid line was likely: '\n CALL LOG_MESSAGE( LOGDEV, ' ')\n CALL LOG_MESSAGE( LOGDEV, XMSG )\n WRITE( LOGDEV, '(8x,A)' ) TMPLINE\n CALL M3EXIT ( 'DESID_READ_NAMELIST', 0, 0, 'CMAQ must Crash until you '//\n & 'fix the Size Distribution Rule', 1 ) \n END IF\n\n !----------------------------------!\n !!! DESID Diagnostic File Inputs !!!\n ! Read the number of Max Emissions Rules to inform scaling operations\n REWIND( FUNIT )\n READ( NML = Desid_DiagVars, UNIT = FUNIT, IOSTAT=IOST )\n IF ( IOST .EQ. -1 ) THEN\n ! The DESID_N_Diag_Rules Variable was completely missing\n XMSG = 'WARNING: Number of DESID Diagnostic Rules was not specified. '//\n & 'If you intended to specify Desid_N_Diag_Rules, check the DESID_CTRL file.'\n CALL LOG_MESSAGE( LOGDEV, ' ')\n CALL LOG_MESSAGE( LOGDEV, XMSG )\n DESID_N_DIAG_RULES = 0\n DESID_MAX_DIAG_STREAMS = 0\n DESID_MAX_DIAG_SPEC = 0\n\n ELSE IF ( IOST .NE. 0 ) THEN\n ! Read Error Detected for DESID_N_DIAG_RULES\n backspace( FUNIT )\n read( FUNIT, fmt='(A)' ) tmpline\n XMSG = 'ERROR: There was a syntax error reading the number of '//\n & 'Diagnostic Rules for use by the DESID module. Please '//\n & 'check the format of each line for syntax errors. The '//\n & 'invalid line was likely: '\n CALL LOG_MESSAGE( LOGDEV, ' ')\n CALL LOG_MESSAGE( LOGDEV, XMSG )\n WRITE( LOGDEV, '(8x,A)' ) TMPLINE\n CALL M3EXIT ( 'DESID_READ_NAMELIST', 0, 0, 'CMAQ must Crash until you '//\n & 'fix Desid_N_Diag_Rules', 1 )\n END IF\n\n ! Allocate and Initialize Namelist Variables\n ALLOCATE( DESID_DIAG_STREAMS_NML( DESID_N_DIAG_RULES,DESID_MAX_DIAG_SPEC ),\n & DESID_DIAG_FMT_NML( DESID_N_DIAG_RULES ),\n & DESID_DIAG_SPEC_NML( DESID_N_DIAG_RULES,DESID_MAX_DIAG_SPEC ),\n & STAT=IOST )\n CALL CHECKMEM( IOST, 'DESID_DIAG_NML','DESID_READ_NAMELIST')\n Desid_Diag_Streams_Nml = ''\n Desid_Diag_Fmt_Nml = '' \n Desid_Diag_Spec_Nml = ''\n \n ! Read the Emissions Diagnostic Section\n REWIND( FUNIT )\n READ( NML = Desid_Diag, UNIT = FUNIT, IOSTAT=IOST )\n IF ( IOST .EQ. -1 ) THEN\n ! The Emissions Diagnostic Section was completely missing\n XMSG = 'WARNING: There were no valid Emission Diagnostic Values specified '//\n & 'for use by the DESID module. If you intended to specify '//\n & 'diagnostic output in the emission control interface, check the '//\n & 'file you have provided for DESID_CTRL_NML.' \n CALL LOG_MESSAGE( LOGDEV, ' ')\n CALL LOG_MESSAGE( LOGDEV, XMSG )\n Desid_Diag_Streams_Nml = ''\n Desid_Diag_Fmt_Nml = '' \n Desid_Diag_Spec_Nml = ''\n ELSE IF ( IOST .NE. 0 ) THEN\n ! Read Error for Emissions Diagnostic\n backspace( FUNIT )\n read( FUNIT, fmt='(A)' ) tmpline\n XMSG = 'ERROR: There was a syntax error reading Emission Diagnostic '//\n & 'Variables for output by the DESID module. Please check the format of '//\n & 'each line for syntax errors. The invalid line was likely: '\n CALL LOG_MESSAGE( LOGDEV, ' ')\n CALL LOG_MESSAGE( LOGDEV, XMSG )\n WRITE( LOGDEV, '(8x,A)' ) TMPLINE\n CALL M3EXIT ( 'DESID_READ_NAMELIST', 0, 0, 'CMAQ must Crash until you '//\n & 'fix the Emission Diagnostic Specification.', 1 )\n END IF\n \n CLOSE( UNIT = FUNIT )\n\n END SUBROUTINE DESID_READ_NAMELIST \n\n! -------------------------------------------------------------------------\n subroutine soilinp_setup\n\n USE UTILIO_DEFN\n use HGRD_DEFN, only : ncols, nrows\n use RUNTIME_VARS, only : NEW_START, BIOGEMIS_MEGAN, BIOGEMIS_BEIS,\n & BDSNP_MEGAN, IGNORE_SOILINP\n\n\n INCLUDE SUBST_FILES_ID ! file name parameters\n\n integer, parameter :: mxhrs = 24\n Character( 40 ), parameter :: pname = 'soilinp_setup'\n character( 20 ) :: loc_time_stamp\n Character( 40 ), parameter :: msoilinp = 'MEGAN_SOILINP'\n Character( 40 ), parameter :: bsoilinp = 'BEIS_SOILINP'\n Character( 40 ), parameter :: bdsnpinp = 'BDSNPINP'\n\n CHARACTER( 16 ) :: var\n CHARACTER( 256 ) :: mesg\n integer :: stat, i, j, k, fnumb, fnumm\n real, allocatable :: t24sum(:,:), sw24sum(:,:)\n\n ALLOCATE( PTYPE( NCOLS,NROWS ),\n & PULSEDATE( NCOLS,NROWS ),\n & PULSETIME( NCOLS,NROWS ),\n & RAINFALL( NCOLS,NROWS, mxhrs ),\n & DDTTM( mxhrs ),\n & STAT=STAT )\n if (stat .ne. 0) then\n CALL M3EXIT (PNAME, 0, 0, \"allocation error\", 1)\n end if\n\n RAINFALL = 0.0\n DDTTM = ' ' ! array\n\n if (BIOGEMIS_MEGAN) then\n ALLOCATE (t24y ( ncols,nrows ),\n & sw24y ( ncols,nrows ),\n & lai_y ( ncols,nrows ),\n & HRNO_SW ( NCOLS,NROWS, mxhrs ),\n & HRNO_T2M ( NCOLS,NROWS, mxhrs ),\n & t24sum ( ncols,nrows ),\n & sw24sum ( ncols,nrows ),\n & stat=stat)\n \n IF ( STAT .NE. 0 ) THEN\n MESG = 'Failure BIOGEMIS_MEGAN arrays'\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT3 )\n END IF\n\n t24y = 0.0\n sw24y = 0.0\n lai_y = 0.0\n HRNO_SW = 0.0\n HRNO_T2M = 0.0\n sw24sum = 0.0\n t24sum = 0.0\n end if\n \n if (BDSNP_MEGAN) then\n ALLOCATE (PFACTOR ( ncols,nrows ),\n & DRYPERIOD ( ncols,nrows ),\n & NDEPRES ( ncols,nrows ),\n & NDEPRATE ( ncols,nrows ),\n & SOILMPREV ( ncols,nrows ),\n & stat=stat)\n\n IF ( STAT .NE. 0 ) THEN\n MESG = 'Failure BDSNP_MEGAN arrays'\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT3 )\n END IF\n\n pfactor = 0.0\n dryperiod = 0.0\n soilmprev = 0.0\n ndepres = 0.0\n ndeprate = 0.0\n end if\n \n if (BIOGEMIS_BEIS .and. .not. NEW_START .and. .not. IGNORE_SOILINP) then\n#ifdef mpas\n ! file will be opened automatically when it is indicated in FILE_INFO\n\n call mio_fread (BSOILINP, 'PTYPE', pname, ptype(:,1))\n call mio_fread (BSOILINP, 'PULSEDATE', pname, pulsedate(:,1))\n call mio_fread (BSOILINP, 'PULSETIME', pname, pulsetime(:,1))\n fnumb = mio_search (BSOILINP)\n#else\n IF ( .NOT. OPEN3( BSOILINP, FSREAD3, PNAME ) ) THEN\n mesg = 'Open failure for ' // BSOILINP\n Call M3EXIT( PNAME, 0, 0, mesg, XSTAT1 )\n END IF\n n_opened_file = n_opened_file + 1\n\n! Get description of NO rain data file\n IF ( .NOT. DESC3( BSOILINP ) ) THEN\n MESG = 'Could not get description of file \"' //\n & TRIM( BSOILINP ) // '\"'\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT2 )\n END IF\n\n! Check that the file start date and time are consistent\n IF ( SDATE3D .NE. cio_model_sdate ) THEN\n WRITE( MESG, 94011 ) 'Cannot use BEIS_SOILINP file; ' //\n & 'found date ', SDATE3D, ' expecting ', cio_model_sdate\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT2 )\n END IF\n\n IF ( STIME3D .NE. cio_model_stime ) THEN\n WRITE( MESG, 94011 ) 'Cannot use BEIS_SOILINP file; ' //\n & 'found time ', STIME3D, ' expecting ', cio_model_stime\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT2 )\n END IF\n\n94011 FORMAT( A, F10.2, 1X, A, I3, ',', I3 )\n\n VAR = 'PTYPE'\n IF ( .NOT. XTRACT3( BSOILINP, 'PTYPE', 1, 1,\n & STRTROWSTD, ENDROWSTD, STRTCOLSTD, ENDCOLSTD, \n & 0, 0, PTYPE ) ) THEN\n MESG = 'Could not read \"' // TRIM( VAR ) //\n & '\" from file \"' // TRIM( BSOILINP ) // '\"'\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT2 )\n END IF\n\n VAR = 'PULSEDATE'\n IF ( .NOT. XTRACT3( BSOILINP, VAR, 1, 1,\n & STRTROWSTD, ENDROWSTD, STRTCOLSTD, ENDCOLSTD, \n & 0, 0, PULSEDATE ) ) THEN\n MESG = 'Could not read \"' // TRIM( VAR ) //\n & '\" from file \"' // TRIM( BSOILINP ) // '\"'\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT2 )\n END IF\n\n VAR = 'PULSETIME'\n IF ( .NOT. XTRACT3( BSOILINP, VAR, 1, 1,\n & STRTROWSTD, ENDROWSTD, STRTCOLSTD, ENDCOLSTD, \n & 0, 0, PULSETIME ) ) THEN\n MESG = 'Could not read \"' // TRIM( VAR ) //\n & '\" from file \"' // TRIM( BSOILINP ) // '\"'\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT2 )\n END IF\n#endif\n\n RAINFALL = 0.0\n\n DDTTM = ' ' ! array\n DO I = 1, mxhrs\n WRITE ( VAR, '(A8,I2.2)' ) 'RAINFALL', I\n#ifdef mpas\n loc_time_stamp = mio_file_data(fnumb)%timestamp(i)\n\n call mio_fread (BSOILINP, 'RAINFALL', pname,\n & rainfall(:,1,i), loc_time_stamp)\n\n#else\n IF ( .NOT. XTRACT3( BSOILINP, VAR, 1, 1,\n & STRTROWSTD, ENDROWSTD, STRTCOLSTD, ENDCOLSTD, \n & 0, 0, RAINFALL( :,:,I ) ) ) THEN\n MESG = 'Could not read \"' // TRIM( VAR ) //\n & '\" from file \"' // TRIM( BSOILINP ) // '\"'\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT2 )\n END IF\n J = INDEX( VDESC3D( I+3 ), 'for' ) + 3\n K = LEN_TRIM( VDESC3D( I+3 ) )\n DDTTM( I ) = VDESC3D( I+3 )( J:K )\n#endif\n END DO\n\n end if ! end beis section\n\n if (BIOGEMIS_MEGAN .and. .not. NEW_START .and. .not. IGNORE_SOILINP) then\n#ifdef mpas\n ! file will be opened automatically when it is indicated in FILE_INFO\n fnumm = mio_search (MSOILINP)\n ! Use final time step of each variable\n loc_time_stamp = mio_file_data(fnumm)%timestamp(24)\n call mio_fread (MSOILINP, 'PTYPE', pname, ptype(:,1),loc_time_stamp)\n call mio_fread (MSOILINP, 'PULSEDATE', pname,pulsedate(:,1),loc_time_stamp)\n call mio_fread (MSOILINP, 'PULSETIME', pname,pulsetime(:,1),loc_time_stamp)\n call mio_fread (MSOILINP, 'LAI', pname,LAI_y(:,1),loc_time_stamp)\n\n#else\n IF ( .NOT. OPEN3( MSOILINP, FSREAD3, PNAME ) ) THEN\n mesg = 'Open failure for ' // MSOILINP\n Call M3EXIT( PNAME, 0, 0, mesg, XSTAT1 )\n END IF\n n_opened_file = n_opened_file + 1\n\n! Get description of NO rain data file\n IF ( .NOT. DESC3( MSOILINP ) ) THEN\n MESG = 'Could not get description of file \"' //\n & TRIM( MSOILINP ) // '\"'\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT2 )\n END IF\n\n! Check that the file start date and time are consistent\n IF ( SDATE3D .NE. cio_model_sdate ) THEN\n WRITE( MESG, 94010 ) 'Cannot use MEGAN_SOILINP file; ' //\n & 'found date ', SDATE3D, ' expecting ', cio_model_sdate\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT2 )\n END IF\n\n IF ( STIME3D .NE. cio_model_stime ) THEN\n WRITE( MESG, 94010 ) 'Cannot use MEGAN_SOILINP file; ' //\n & 'found time ', STIME3D, ' expecting ', cio_model_stime\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT2 )\n END IF\n\n94010 FORMAT( A, F10.2, 1X, A, I3, ',', I3 )\n\n VAR = 'PTYPE'\n IF ( .NOT. XTRACT3( MSOILINP, 'PTYPE', 1, 1,\n & STRTROWSTD, ENDROWSTD, STRTCOLSTD, ENDCOLSTD, \n & 0, 0, PTYPE ) ) THEN\n MESG = 'Could not read \"' // TRIM( VAR ) //\n & '\" from file \"' // TRIM( MSOILINP ) // '\"'\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT2 )\n END IF\n\n VAR = 'PULSEDATE'\n IF ( .NOT. XTRACT3( MSOILINP, VAR, 1, 1,\n & STRTROWSTD, ENDROWSTD, STRTCOLSTD, ENDCOLSTD, \n & 0, 0, PULSEDATE ) ) THEN\n MESG = 'Could not read \"' // TRIM( VAR ) //\n & '\" from file \"' // TRIM( MSOILINP ) // '\"'\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT2 )\n END IF\n\n VAR = 'PULSETIME'\n IF ( .NOT. XTRACT3( MSOILINP, VAR, 1, 1,\n & STRTROWSTD, ENDROWSTD, STRTCOLSTD, ENDCOLSTD, \n & 0, 0, PULSETIME ) ) THEN\n MESG = 'Could not read \"' // TRIM( VAR ) //\n & '\" from file \"' // TRIM( MSOILINP ) // '\"'\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT2 )\n END IF\n\n IF ( .NOT. XTRACT3( MSOILINP, 'LAI', 1, 1,\n & STRTROWSTD, ENDROWSTD, STRTCOLSTD,ENDCOLSTD,\n & 0, 0, lai_y( :,: ) ) ) THEN\n MESG = 'Could not read \"' // 'LAI' //\n & '\" from file \"' // TRIM( MSOILINP ) // '\"'\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT2 )\n END IF\n\n#endif\n\n sw24sum = 0.0\n t24sum = 0.0\n RAINFALL = 0.0\n\n DDTTM = ' ' ! array\n DO I = 1, mxhrs\n WRITE( VAR, '(A8,I2.2)' ) 'RAINFALL', I\n\n#ifdef mpas\n loc_time_stamp = mio_file_data(fnumm)%timestamp(i)\n\n\n call mio_fread (MSOILINP, 'RAINFALL', pname,\n & rainfall(:,1,i), loc_time_stamp)\n\n call mio_fread (MSOILINP, 'T24', pname,\n & t24y(:,1), loc_time_stamp)\n\n\n\n call mio_fread (MSOILINP, 'SW24', pname,\n & sw24y(:,1), loc_time_stamp)\n\n\n#else\n IF ( .NOT. XTRACT3( MSOILINP, VAR, 1, 1,\n & STRTROWSTD, ENDROWSTD, STRTCOLSTD, ENDCOLSTD, \n & 0, 0, RAINFALL( :,:,I ) ) ) THEN\n MESG = 'Could not read \"' // TRIM( VAR ) //\n & '\" from file \"' // TRIM( MSOILINP ) // '\"'\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT2 )\n END IF\n J = INDEX( VDESC3D( I+3 ), 'for' ) + 3\n K = LEN_TRIM( VDESC3D( I+3 ) )\n DDTTM( I ) = VDESC3D( I+3 )( J:K )\n\n WRITE( VAR, '(A2,I2.2)' ) 'SW', I\n IF ( .NOT. XTRACT3( MSOILINP, VAR, 1, 1,\n & STRTROWSTD, ENDROWSTD, STRTCOLSTD,ENDCOLSTD,\n & 0, 0, sw24y( :,: ) ) ) THEN\n MESG = 'Could not read \"' // TRIM( VAR ) //\n & '\" from file \"' // TRIM( MSOILINP ) // '\"'\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT2 )\n END IF\n\n WRITE( VAR, '(A3,I2.2)' ) 'T2M', I\n IF ( .NOT. XTRACT3( MSOILINP, VAR, 1, 1,\n & STRTROWSTD, ENDROWSTD, STRTCOLSTD,ENDCOLSTD,\n & 0, 0, t24y( :,: ) ) ) THEN\n MESG = 'Could not read \"' // TRIM( VAR ) //\n & '\" from file \"' // TRIM( MSOILINP ) // '\"'\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT2 )\n END IF\n#endif\n sw24sum = sw24y + sw24sum\n t24sum = t24y + t24sum\n\n END DO ! looping over 24 hrs \n\n sw24y = sw24sum/mxhrs\n t24y = t24sum/mxhrs\n\n\n if (BDSNP_MEGAN) then ! BDSNP daily inputs\n#ifdef mpas\n fnumm = mio_search (BDSNPINP)\n loc_time_stamp = mio_file_data(fnumm)%timestamp(24)\n call mio_fread (BDSNPINP, 'SOILMPREV', pname, SOILMPREV(:,1), loc_time_stamp)\n call mio_fread (BDSNPINP, 'DRYPERIOD', pname, DRYPERIOD(:,1), loc_time_stamp)\n call mio_fread (BDSNPINP, 'PFACTOR', pname, PFACTOR(:,1), loc_time_stamp)\n call mio_fread (BDSNPINP, 'NDEPRES', pname, NDEPRES(:,1), loc_time_stamp)\n#else\n IF ( .NOT. OPEN3( BDSNPINP, FSREAD3, PNAME ) ) THEN\n mesg = 'Open failure for ' // BDSNPINP\n Call M3EXIT( PNAME, 0, 0, mesg, XSTAT1 )\n END IF\n \n IF ( .NOT. DESC3( BDSNPINP ) ) THEN\n MESG = 'Could not get description of file \"' //\n & TRIM( BDSNPINP ) // '\"'\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT1 )\n END IF\n IF ( .NOT. XTRACT3( BDSNPINP, 'DRYPERIOD',\n & 1, 1, STRTROWSTD, ENDROWSTD, STRTCOLSTD,ENDCOLSTD,\n & 0, 0, dryperiod(:,:) ) ) THEN\n mesg = 'Could not extract ' // BDSNPINP // ' file'\n CALL M3EXIT ( PNAME, 0, 0, mesg, XSTAT1 )\n END IF\n IF ( .NOT. XTRACT3( BDSNPINP, 'NDEPRES',\n & 1, 1, STRTROWSTD, ENDROWSTD, STRTCOLSTD,ENDCOLSTD,\n & 0, 0, ndepres(:,:) ) ) THEN\n mesg = 'Could not extract ' // BDSNPINP // ' file'\n CALL M3EXIT ( PNAME, 0, 0, mesg, XSTAT1 )\n END IF\n IF ( .NOT. XTRACT3( BDSNPINP, 'NDEPRATE_DIAG',\n & 1, 1, STRTROWSTD, ENDROWSTD, STRTCOLSTD,ENDCOLSTD,\n & 0, 0, ndeprate(:,:) ) ) THEN\n mesg = 'Could not extract ' // BDSNPINP // ' file'\n CALL M3EXIT ( PNAME, 0, 0, mesg, XSTAT1 )\n END IF\n IF ( .NOT. XTRACT3( BDSNPINP, 'PFACTOR',\n & 1, 1, STRTROWSTD, ENDROWSTD, STRTCOLSTD,ENDCOLSTD,\n & 0, 0, pfactor(:,:) ) ) THEN\n mesg = 'Could not extract ' // BDSNPINP // ' file'\n CALL M3EXIT ( PNAME, 0, 0, mesg, XSTAT1 )\n END IF\n IF ( .NOT. XTRACT3( BDSNPINP, 'SOILMPREV',\n & 1, 1, STRTROWSTD, ENDROWSTD,STRTCOLSTD,ENDCOLSTD,\n & 0, 0, soilmprev(:,:) ) ) THEN\n mesg = 'Could not extract ' // BDSNPINP // ' file'\n CALL M3EXIT ( PNAME, 0, 0, mesg, XSTAT1 )\n END IF\n#endif\n end if ! bdsnp check\n end if ! megan check\n\n if (BIOGEMIS_MEGAN) then\n deallocate (t24sum, sw24sum)\n end if\n\n end subroutine soilinp_setup\n\n! -------------------------------------------------------------------------\n subroutine lus_setup\n\n! Function:\n\n! Set-up land-use categories for dust. Allocate and fill in:\n! -- lut array --> landuse category fraction\n! -- ladut array --> % of desertland\n\n\n use RUNTIME_VARS\n! use UTILIO_DEFN\n use lus_data_module ! Data module that contains info. on different land schemes\n use HGRD_DEFN, only : ncols, nrows\n#ifdef twoway\n use twoway_data_module\n#endif\n\n INCLUDE SUBST_FILES_ID ! file name parameters\n\n character (24), parameter :: strg = 'incorrect num_land_cat, '\n character (40), parameter :: pname = 'lus_setup'\n\n character (256) :: xmsg\n integer :: i, err, strtcol1,endcol1, strtrow1, endrow1,\n & strtcol2, endcol2, strtrow2, endrow2, gxoff1,\n & gyoff1, gxoff2, gyoff2\n\n lufile( 1 ) = grid_cro_2d\n\n#ifndef mpas\n if ( .not. lucro_avail ) then ! TRUE if LUFRAC file isn't there \n \n if ( .not. open3( lufile( 1 ), fsread3, pname ) ) then\n xmsg = 'could not open ' // trim( lufile( 1 ) )\n call m3exit ( pname, 0, 0, xmsg, xstat1 )\n end if\n n_opened_file = n_opened_file + 1\n\n ! Retrieve domain decomposition offsets for first lufile \n call subhfile( lufile( 1 ), gxoff1, gyoff1, strtcol1, \n & endcol1, strtrow1, endrow1 ) \n \n \n end if\n\n#endif\n\n ! determine land_scheme from GRID_CRO_2D\n\n#ifdef mpas\n dust_land_scheme = mminlu_mpas\n#else\n dust_land_scheme = cio_dust_land_scheme ! land scheme found from grid_cro_2D 'DLUSE' var-desc\n\n#ifdef twoway\n\nC mminlu and num_land_cat are WRF global variables\n\n select case( mminlu )\n\n case( 'USGS24' )\n if ( num_land_cat .ne. 24 ) then\n write( xmsg, '(a, i3, a )' ) strg, num_land_cat,\n & ' for ' // trim( mminlu )\n call m3exit ( pname, stdate, sttime, xmsg, xstat1 )\n end if\n dust_land_scheme = 'USGS24'\n case( 'NLCD40' )\n if ( num_land_cat .ne. 40 ) then\n write( xmsg, '(a, i3, a )' ) strg, num_land_cat,\n & ' for ' // trim( mminlu )\n call m3exit ( pname, stdate, sttime, xmsg, xstat1 )\n end if\n dust_land_scheme = 'NLCD40'\n case( 'NLCD-MODIS' )\n if ( num_land_cat .ne. 50 ) then\n write( xmsg, '(a, i3, a )' ) strg, num_land_cat,\n & ' for ' // trim( mminlu )\n call m3exit ( pname, stdate, sttime, xmsg, xstat1 )\n end if\n dust_land_scheme = 'NLCD-MODIS'\n case( 'MODIFIED_IGBP_MODIS_NOAH' )\n if ( num_land_cat .ne. 20 ) then\n write( xmsg, '(a, i3, a )' ) strg, num_land_cat,\n & ' for ' // trim( mminlu )\n call m3exit ( pname, stdate, sttime, xmsg, xstat1 )\n end if\n dust_land_scheme = 'MODIS_NOAH'\n case( 'MODIS' )\n if ( num_land_cat .ne. 20 ) then\n write( xmsg, '(a, i3, a )' ) strg, num_land_cat,\n & ' for ' // trim( mminlu )\n call m3exit ( pname, stdate, sttime, xmsg, xstat1 )\n end if\n dust_land_scheme = 'MODIS'\n case default\n xmsg = 'Land use scheme not supported'\n call m3exit ( pname, stdate, sttime, xmsg, xstat1 )\n\n end select\n#endif\n#endif\n\n select case( dust_land_scheme ) ! After land scheme is determined allocate number of land use categories & number of dustland categories from lus_data_module\n\n case( 'USGS24' ) ! If USGS34\n n_lucat = n_lucat_usgs24\n n_dlcat = n_dlcat_usgs24\n allocate( vnmlu( n_lucat ),\n & vnmld( n_dlcat ),\n & dmsk( n_dlcat ),\n & dmap( n_dlcat+1 ), stat = err )\n if ( err .ne. 0 ) then\n xmsg = '*** Error allocating vnmlu, vnmld, dmsk or dmap'\n call m3exit ( pname, stdate, sttime, xmsg, xstat1 )\n end if\n vnmlu = vnmlu_usgs24 ! array assignment\n vnmld = vnmld_usgs24 ! array assignment\n dmsk = dmsk_usgs24 ! array assignment\n dmap = dmap_usgs24 ! array assignment\n\n case( 'MODIS' ) ! If MODIS\n n_lucat = n_lucat_modis\n n_dlcat = n_dlcat_modis\n allocate( vnmlu( n_lucat ),\n & vnmld( n_dlcat ),\n & dmsk( n_dlcat ),\n & dmap( n_dlcat+1 ), stat = err )\n if ( err .ne. 0 ) then\n xmsg = '*** Error allocating vnmlu, vnmld, dmsk or dmap'\n call m3exit ( pname, stdate, sttime, xmsg, xstat1 )\n end if\n vnmlu = vnmlu_modis ! array assignment\n vnmld = vnmld_modis ! array assignment\n dmsk = dmsk_modis ! array assignment\n dmap = dmap_modis ! array assignment\n\n case( 'NLCD40' ) ! If NLCD40\n n_lucat = n_lucat_nlcd40\n n_dlcat = n_dlcat_nlcd40\n allocate( vnmlu( n_lucat ),\n & vnmld( n_dlcat ),\n & dmsk( n_dlcat ),\n & dmap( n_dlcat+1 ), stat = err )\n if ( err .ne. 0 ) then\n xmsg = '*** Error allocating vnmlu, vnmld, dmsk or dmap'\n call m3exit ( pname, stdate, sttime, xmsg, xstat1 )\n end if\n vnmlu = vnmlu_nlcd40 ! array assignment\n vnmld = vnmld_nlcd40 ! array assignment\n dmsk = dmsk_nlcd40 ! array assignment\n dmap = dmap_nlcd40 ! array assignment\n\n case( 'NLCD-MODIS', 'NLCD50' ) ! If NCLD-MODIS or NCLD50\n n_lucat = n_lucat_nlcd_modis\n n_dlcat = n_dlcat_nlcd_modis\n allocate( vnmlu( n_lucat ),\n & vnmld( n_dlcat ),\n & dmsk( n_dlcat ),\n & dmap( n_dlcat+1 ), stat = err )\n if ( err .ne. 0 ) then\n xmsg = '*** Error allocating vnmlu, vnmld, dmsk or dmap'\n call m3exit ( pname, stdate, sttime, xmsg, xstat1 )\n end if\n vnmlu = vnmlu_nlcd_modis ! array assignment\n vnmld = vnmld_nlcd_modis ! array assignment\n dmsk = dmsk_nlcd_modis ! array assignment\n dmap = dmap_nlcd_modis ! array assignment\n\n case( 'MODIS_NOAH' ) ! If MODIS-NOAH\n n_lucat = n_lucat_modis_noah\n n_dlcat = n_dlcat_modis_noah\n allocate( vnmlu( n_lucat ),\n & vnmld( n_dlcat ),\n & dmsk( n_dlcat ),\n & dmap( n_dlcat+1 ), stat = err )\n if ( err .ne. 0 ) then\n xmsg = '*** Error allocating vnmlu, vnmld, dmsk or dmap'\n call m3exit ( pname, stdate, sttime, xmsg, xstat1 )\n end if\n vnmlu = vnmlu_modis_noah ! array assignment\n vnmld = vnmld_modis_noah ! array assignment\n dmsk = dmsk_modis_noah ! array assignment\n dmap = dmap_modis_noah ! array assignment\n\n case default ! Other land-schemes not supported\n xmsg = 'Land use scheme not supported'\n call m3exit ( pname, stdate, sttime, xmsg, xstat1 )\n\n end select\n\n! Writing Landuse categories to logfiles\n write( logdev,* ) ' '\n write( logdev,* ) ' Land use scheme is ', trim( dust_land_scheme )\n write( logdev,* ) ' n_lucat,n_dlcat: ', n_lucat, n_dlcat\n write( logdev,* ) ' desert land categories ------------------------'\n do i = 1, n_dlcat\n write( logdev,* ) ' ', trim( vnmld( i )%name ), ' ', trim( vnmld( i )%desc )\n end do\n write( logdev,* ) ' land use categories ---------------------------'\n do i = 1, n_lucat\n write( logdev,* ) ' ', trim( vnmlu( i )%name ), ' ', trim( vnmlu( i )%desc )\n end do\n write( logdev,* ) ' '\n\n allocate( ladut( ncols,nrows,n_dlcat ),\n & lut( ncols,nrows,n_lucat ),\n & uland( ncols,nrows,4 ), stat = err )\n if ( err .ne. 0 ) then\n xmsg = '*** Error allocating ladut, lut or uland'\n call m3exit ( pname, stdate, sttime, xmsg, xstat1 )\n end if\n\n if ( .not. lucro_avail ) then ! TRUE if LUFRAC file isn't there or the land scheme is beld\n\n#ifdef mpas\n do i = 1, n_dlcat ! Loop through the number of desertland categories and fill in ladut array\n ladut( :,:,i) = lufrac( :,:,vnmld( i )%lu_idx ) ! Use mapped index in LUFRAC from lus_data_module to fill in ladut\n end do\n\n lut = lufrac ! landuse category fraction is lufrac that is already been extracted\n\n#else\n! Get desert land (fraction) data (assume if BELD, all desert types are in file 1)\n do i = 1, n_dlcat\n#ifdef twoway\n if ( .not. interpx( lufile( 1 ), vnmld( i )%name, pname,\n & strtcol1, endcol1, strtrow1, endrow1,\n & 1, 1, 0, 0, ladut( :,:,i ) ) ) then\n#else\n if ( .not. xtract3( lufile( 1 ), vnmld( i )%name, 1,1,\n & strtrow1, endrow1,strtcol1, endcol1,\n & 0, 0, ladut( :,:,i ) ) ) then\n#endif\n xmsg = 'Could not read ' // trim( vnmld( i )%name )\n & // ' from ' // trim( lufile( 1 ) )\n call m3exit( pname, cio_model_sdate, cio_model_stime, xmsg, xstat1 )\n end if\n end do\n\n! Get land use (fraction) data\n do i = 1, n_lucat-1\n#ifdef twoway\n if ( .not. interpx( lufile( 1 ), vnmlu( i )%name, pname,\n & strtcol1, endcol1, strtrow1, endrow1,\n & 1, 1, 0, 0, lut( :,:,i ) ) ) then\n#else\n if ( .not. xtract3( lufile( 1 ), vnmlu( i )%name, 1,1,\n & strtrow1, endrow1,strtcol1, endcol1,\n & 0, 0, lut( :,:,i ) ) ) then\n#endif \n xmsg = 'Could not read ' // trim( vnmlu( i )%name )\n & // ' from ' // trim( lufile( 1 ) )\n call m3exit( pname, cio_model_sdate, cio_model_stime, xmsg, xstat1 )\n end if\n end do\n\n i = n_lucat\n#ifdef twoway\n if ( .not. interpx( lufile( 1 ), vnmlu( i )%name, pname, \n & strtcol1, endcol1, strtrow1, endrow1,\n & 1, 1, 0, 0, lut( :,:,i ) ) ) then\n#else\n if ( .not. xtract3( lufile( 1 ), vnmlu( i )%name, 1,1,\n & strtrow1, endrow1,strtcol1, endcol1,\n & 0, 0, lut( :,:,i ) ) ) then\n#endif \n xmsg = 'Could not read ' // trim( vnmlu( i )%name )\n & // ' from ' // trim( lufile( 1 ) )\n call m3exit( pname, cio_model_sdate, cio_model_stime, xmsg, xstat1 )\n end if\n#endif\n\n else ! IF LUFRAC is there\n\n do i = 1, n_dlcat ! Loop through the number of desertland categories and fill in ladut array\n\n ladut( :,:,i) = lufrac( :,:,vnmld( i )%lu_idx ) ! Use mapped index in LUFRAC from lus_data_module to fill in ladut\n\n end do\n\n lut = lufrac ! landuse category fraction is lufrac that is already been extracted\n\n end if \n\n end subroutine lus_setup\n\n! -------------------------------------------------------------------------\n\n subroutine megan_setup ! reads in variables \n\n use hgrd_defn, only : ncols,nrows\n use RUNTIME_VARS, only : logdev, USE_MEGAN_LAI, BDSNP_MEGAN,\n & MGN_ONLN_DEP\n Use, intrinsic :: ieee_arithmetic, only: isnan => ieee_is_nan\n USE UTILIO_DEFN\n\n#ifdef mpas\n use util_module, only : nextime\n\n integer fnum\n#endif\n integer :: stat, i, megan_hr, megan_day, strtcol,\n & endcol, strtrow, endrow, gxoff, gyoff, \n & nsteps, nvars\n\n character( 20 ) :: loc_time_stamp\n real :: t24sum(ncols),sw24sum(ncols) \n character( 40 ), parameter :: pname = 'megan_setup'\n\n character( 40 ), parameter :: MEGAN_LDF = 'MEGAN_LDF'\n character( 40 ), parameter :: MEGAN_LAI = 'MEGAN_LAI'\n character( 40 ), parameter :: MEGAN_EFS = 'MEGAN_EFS'\n character( 40 ), parameter :: MEGAN_CTS = 'MEGAN_CTS'\n character( 40 ), parameter :: BDSNP_NFILE = 'BDSNP_NFILE'\n character( 40 ), parameter :: BDSNP_AFILE = 'BDSNP_AFILE'\n character( 40 ), parameter :: BDSNP_NAFILE = 'BDSNP_NAFILE'\n character( 40 ), parameter :: BDSNP_FFILE = 'BDSNP_FFILE'\n character( 40 ), parameter :: BDSNP_LFILE = 'BDSNP_LFILE'\n character( 256 ) :: mesg\n character( 40 ) :: var\n \n if (BDSNP_MEGAN) then\n allocate (bdsnp_fert( ncols,nrows),\n & bdsnp_arid( ncols,nrows),\n & bdsnp_nonarid( ncols,nrows),\n & bdsnp_landtype( ncols,nrows),\n & bdsnp_ndep( ncols,nrows,12),\n & stat=stat)\n IF ( STAT .NE. 0 ) THEN\n MESG = 'Failure BIOGEMIS_MEGAN arrays in megan_setup'\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT3 )\n END IF\n bdsnp_fert = 0.\n bdsnp_arid = 0.\n bdsnp_nonarid = 0.\n bdsnp_landtype = 0.\n bdsnp_ndep = 0.\n end if\n\n#ifdef mpas\n fnum = mio_search (MEGAN_CTS)\n nsteps = mio_file_data(fnum)%nsteps\n#else\n IF ( .NOT. OPEN3( MEGAN_CTS, FSREAD3, PNAME ) ) THEN\n mesg = 'Open failure for ' // MEGAN_CTS\n Call M3EXIT( PNAME, 0, 0, mesg, XSTAT1 )\n END IF\n n_opened_file = n_opened_file + 1\n f_mbiog = n_opened_file\n \n IF ( .NOT. DESC3( MEGAN_CTS ) ) THEN\n MESG = 'Could not get description of file \"' //\n & TRIM( MEGAN_CTS ) // '\"'\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT1 )\n END IF\n \n file_sdate(f_mbiog) = sdate3d\n file_stime(f_mbiog) = stime3d\n file_tstep(f_mbiog) = tstep3d\n file_xcell(f_mbiog) = xcell3d\n file_ycell(f_mbiog) = ycell3d\n nsteps = mxrec3d\n#endif\n\n allocate (ctf(6,ncols,nrows), stat = stat)\n \n if (stat .ne. 0) then\n mesg = 'Failure allocating MEGAN input arrays'\n call m3exit (pname, 0, 0, mesg, xstat1 )\n end if\n\n#ifdef mpas\n do I = 1,6\n call mio_fread (MEGAN_CTS, 'CTS', pname, ctf(I,:,1), mio_file_data(fnum)%timestamp(i))\n end do \n#else\n call subhfile( megan_cts , gxoff, gyoff, strtcol, \n & endcol, strtrow, endrow ) \n\n megan_day = sdate3d \n megan_hr = stime3d\n megan_hr = 0\n do I = 1, mxrec3d \n\n IF ( .NOT. XTRACT3( MEGAN_CTS, 'CTS', \n & 1, 1, strtrow, endrow, strtcol, endcol, \n & 0, megan_hr, ctf(I,:,:) ) ) THEN\n mesg = 'Could not extract ' // MEGAN_CTS // ' file'\n CALL M3EXIT ( PNAME, megan_day, megan_hr, mesg, XSTAT1 )\n END IF\n megan_hr = megan_hr + 10000\n! call nextime (megan_day, megan_hr, tstep3d)\n\n end do\n#endif\n\n WHERE ( isnan( ctf ) ) ctf = 0.0 ! ensure no NaNs\n\n#ifdef mpas\n fnum = mio_search (MEGAN_EFS)\n nvars = mio_file_data(fnum)%nvars\n#else\n IF ( .NOT. OPEN3( MEGAN_EFS, FSREAD3, PNAME ) ) THEN\n mesg = 'Open failure for ' // MEGAN_EFS\n Call M3EXIT( PNAME, 0, 0, mesg, XSTAT1 )\n END IF\n\n IF ( .NOT. DESC3( MEGAN_EFS ) ) THEN\n MESG = 'Could not get description of file \"' //\n & TRIM( MEGAN_EFS ) // '\"'\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT1 )\n END IF\n nvars = nvars3d\n#endif\n allocate (efmaps(ncols,nrows,nvars), stat = stat)\n \n if (stat .ne. 0) then\n mesg = 'Failure allocating MEGAN input arrays'\n call m3exit (pname, 0, 0, mesg, xstat1 )\n end if\n\n#ifdef mpas\n call mio_fread ('MEGAN_EFS', 'EF_ISOP', pname, efmaps(:,1, 1))\n call mio_fread ('MEGAN_EFS', 'EF_MBO', pname, efmaps(:,1, 2))\n call mio_fread ('MEGAN_EFS', 'EF_MT_PINE', pname, efmaps(:,1, 3))\n call mio_fread ('MEGAN_EFS', 'EF_MT_ACYC', pname, efmaps(:,1, 4))\n call mio_fread ('MEGAN_EFS', 'EF_MT_CAMP', pname, efmaps(:,1, 5))\n call mio_fread ('MEGAN_EFS', 'EF_MT_SABI', pname, efmaps(:,1, 6))\n call mio_fread ('MEGAN_EFS', 'EF_MT_AROM', pname, efmaps(:,1, 7))\n call mio_fread ('MEGAN_EFS', 'EF_NO', pname, efmaps(:,1, 8))\n call mio_fread ('MEGAN_EFS', 'EF_SQT_HR', pname, efmaps(:,1, 9))\n call mio_fread ('MEGAN_EFS', 'EF_SQT_LR', pname, efmaps(:,1,10))\n call mio_fread ('MEGAN_EFS', 'EF_MEOH', pname, efmaps(:,1,11))\n call mio_fread ('MEGAN_EFS', 'EF_ACTO', pname, efmaps(:,1,12))\n call mio_fread ('MEGAN_EFS', 'EF_ETOH', pname, efmaps(:,1,13))\n call mio_fread ('MEGAN_EFS', 'EF_ACID', pname, efmaps(:,1,14))\n call mio_fread ('MEGAN_EFS', 'EF_LVOC', pname, efmaps(:,1,15))\n call mio_fread ('MEGAN_EFS', 'EF_OXPROD', pname, efmaps(:,1,16))\n call mio_fread ('MEGAN_EFS', 'EF_STRESS', pname, efmaps(:,1,17))\n call mio_fread ('MEGAN_EFS', 'EF_OTHER', pname, efmaps(:,1,18))\n call mio_fread ('MEGAN_EFS', 'EF_CO', pname, efmaps(:,1,19))\n#else\n call subhfile( megan_efs, gxoff, gyoff, strtcol, \n & endcol, strtrow, endrow ) \n\n megan_day = sdate3d \n megan_hr = stime3d\n \n IF ( .NOT. XTRACT3( MEGAN_EFS, ALLVAR3, \n & 1, 1, strtrow, endrow, strtcol, endcol, \n & megan_day, megan_hr, efmaps(:,:,:) ) ) THEN\n mesg = 'Could not extract ' // MEGAN_EFS // ' file'\n CALL M3EXIT ( PNAME, 0, megan_hr, mesg, XSTAT1 )\n END IF\n#endif\n\n IF ( USE_MEGAN_LAI) THEN\n#ifdef mpas\n fnum = mio_search (MEGAN_LAI)\n nvars = mio_file_data(fnum)%nvars\n#else\n IF ( .NOT. OPEN3( MEGAN_LAI, FSREAD3, PNAME ) ) THEN\n mesg = 'Open failure for ' // MEGAN_LAI\n Call M3EXIT( PNAME, 0, 0, mesg, XSTAT1 )\n END IF\n\n IF ( .NOT. DESC3( MEGAN_LAI ) ) THEN\n MESG = 'Could not get description of file \"' //\n & TRIM( MEGAN_LAI ) // '\"'\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT1 )\n END IF\n nvars = nvars3d\n#endif\n\n allocate (lai_m(ncols,nrows,nvars-2), stat = stat)\n \n if (stat .ne. 0) then\n mesg = 'Failure allocating MEGAN input arrays'\n call m3exit (pname, 0, 0, mesg, xstat1 )\n end if\n\n lai_m = 0.0\n\n#ifdef mpas\n do i = 1, nvars\n WRITE( VAR, '(A3,I2.2)' ) 'LAI', I\n call mio_fread (MEGAN_LAI, var, pname, lai_m(:,1,i))\n end do\n#else\n call subhfile( megan_lai, gxoff, gyoff, strtcol, \n & endcol, strtrow, endrow ) \n\n megan_day = sdate3d \n megan_hr = stime3d\n\n do I = 1, nvars3d-2 ! lat/lon excluded\n WRITE( VAR, '(A3,I2.2)' ) 'LAI', I\n IF ( .NOT. XTRACT3( MEGAN_LAI, VAR, \n & 1, 1, strtrow, endrow, strtcol, endcol, \n & megan_day, megan_hr, lai_m(:,:,I) ) ) THEN\n mesg = 'Could not extract ' // MEGAN_LAI // ' file'\n CALL M3EXIT ( PNAME, 0, 0, mesg, XSTAT1 )\n END IF\n end do\n#endif\n END IF ! USE_MEGAN_LAI\n\n#ifdef mpas\n fnum = mio_search (MEGAN_LDF)\n nvars = mio_file_data(fnum)%nvars\n#else\n IF ( .NOT. OPEN3( MEGAN_LDF, FSREAD3, PNAME ) ) THEN\n mesg = 'Open failure for ' // MEGAN_LDF\n Call M3EXIT( PNAME, 0, 0, mesg, XSTAT1 )\n END IF\n\n IF ( .NOT. DESC3( MEGAN_LDF ) ) THEN\n MESG = 'Could not get description of file \"' //\n & TRIM( MEGAN_LDF ) // '\"'\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT1 )\n END IF\n nvars = nvars3d\n#endif\n\n allocate (ldf(ncols,nrows,4), stat = stat)\n \n if (stat .ne. 0) then\n mesg = 'Failure allocating MEGAN input arrays'\n call m3exit (pname, 0, 0, mesg, xstat1 )\n end if\n\n#ifdef mpas\n do i = 3,6\n write( var, '(A3,I2.2)' ) 'LDF', i\n call mio_fread ('MEGAN_LDF', var, pname, ldf(:,1,i-2))\n end do\n#else\n call subhfile( megan_ldf, gxoff, gyoff, strtcol, \n & endcol, strtrow, endrow ) \n\n megan_day = sdate3d \n megan_hr = stime3d\n\n IF ( .NOT. XTRACT3( MEGAN_LDF, 'ALL',\n & 1, 1, strtrow, endrow, strtcol, endcol,\n & megan_day, megan_hr, LDF(:,:,:) ) ) THEN\n mesg = 'Could not extract ' // MEGAN_LDF // ' file'\n CALL M3EXIT ( PNAME, 0, megan_hr, mesg, XSTAT1 )\n END IF\n\n#endif\n\n if (BDSNP_MEGAN) then\n\n ! Optional BDSNP nitrogen input\n if (.not. MGN_ONLN_DEP) then\n#ifdef mpas\n do i = 1, 12\n write( var, '(A8,I2.2)' ) 'NITROGEN', i\n call mio_fread (BDSNP_NFILE, var, pname, bdsnp_ndep(:,1,i))\n end do\n#else\n IF ( .NOT. OPEN3( BDSNP_NFILE, FSREAD3, PNAME ) ) THEN\n mesg = 'Open failure for ' // BDSNP_NFILE\n Call M3EXIT( PNAME, 0, 0, mesg, XSTAT1 )\n END IF\n\n IF ( .NOT. DESC3( BDSNP_NFILE ) ) THEN\n MESG = 'Could not get description of file \"' //\n & TRIM( BDSNP_NFILE ) // '\"'\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT1 )\n END IF\n\n\n call subhfile( BDSNP_NFILE, gxoff, gyoff, strtcol,\n & endcol, strtrow, endrow )\n\n megan_day = sdate3d\n megan_hr = stime3d\n do i = 1,12\n write( var, '(A8,I2.2)' ) 'NITROGEN', i\n IF ( .NOT. XTRACT3( BDSNP_NFILE, var,\n & 1, 1, strtrow, endrow, strtcol, endcol,\n & megan_day, megan_hr, bdsnp_ndep(:,:,i) ) ) THEN\n mesg = 'Could not extract ' // BDSNP_NFILE // ' file'\n CALL M3EXIT ( PNAME, 0, megan_hr, mesg, XSTAT1 )\n END IF\n end do\n#endif\n end if\n\n ! BDSNP fertilizer input\n\n#ifdef mpas\n i = FLOAT( MOD( STDATE, 1000 ) )\n write( var, '(A4,I3.3)' ) 'FERT', i\n call mio_fread (BDSNP_FFILE, var, pname, bdsnp_fert(:,1))\n\n call mio_fread (BDSNP_AFILE, 'ARID', pname, bdsnp_arid(:,1))\n\n call mio_fread (BDSNP_NAFILE, 'NONARID', pname, bdsnp_nonarid(:,1))\n\n call mio_fread (BDSNP_LFILE, 'LANDTYPE', pname, bdsnp_landtype(:,1))\n\n#else\n IF ( .NOT. OPEN3( BDSNP_FFILE, FSREAD3, PNAME ) ) THEN\n mesg = 'Open failure for ' // BDSNP_FFILE\n Call M3EXIT( PNAME, 0, 0, mesg, XSTAT1 )\n END IF\n\n IF ( .NOT. DESC3( BDSNP_FFILE ) ) THEN\n MESG = 'Could not get description of file \"' //\n & TRIM( BDSNP_FFILE ) // '\"'\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT1 )\n END IF\n\n call subhfile( BDSNP_FFILE, gxoff, gyoff, strtcol,\n & endcol, strtrow, endrow )\n\n i = FLOAT( MOD( STDATE, 1000 ) )\n write( var, '(A4,I3.3)' ) 'FERT', i\n IF ( .NOT. XTRACT3( BDSNP_FFILE, var,\n & 1, 1, strtrow, endrow, strtcol, endcol,\n & megan_day, megan_hr, bdsnp_fert(:,:) ) ) THEN\n mesg = 'Could not extract ' // BDSNP_FFILE // ' file'\n CALL M3EXIT ( PNAME, 0, megan_hr, mesg, XSTAT1 )\n END IF\n\n ! BDSNP arid input\n\n IF ( .NOT. OPEN3( BDSNP_AFILE, FSREAD3, PNAME ) ) THEN\n mesg = 'Open failure for ' // BDSNP_AFILE\n Call M3EXIT( PNAME, 0, 0, mesg, XSTAT1 )\n END IF\n\n IF ( .NOT. DESC3( BDSNP_AFILE ) ) THEN\n MESG = 'Could not get description of file \"' //\n & TRIM( BDSNP_AFILE ) // '\"'\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT1 )\n END IF\n\n call subhfile( BDSNP_AFILE, gxoff, gyoff, strtcol,\n & endcol, strtrow, endrow )\n\n\n IF ( .NOT. XTRACT3( BDSNP_AFILE, 'ARID',\n & 1, 1, strtrow, endrow, strtcol, endcol,\n & megan_day, megan_hr, bdsnp_arid(:,:) ) ) THEN\n mesg = 'Could not extract ' // BDSNP_AFILE // ' file'\n CALL M3EXIT ( PNAME, 0, megan_hr, mesg, XSTAT1 )\n END IF\n\n ! BDSNP nonarid input\n\n IF ( .NOT. OPEN3( BDSNP_NAFILE, FSREAD3, PNAME ) ) THEN\n mesg = 'Open failure for ' // BDSNP_NAFILE\n Call M3EXIT( PNAME, 0, 0, mesg, XSTAT1 )\n END IF\n\n IF ( .NOT. DESC3( BDSNP_NAFILE ) ) THEN\n MESG = 'Could not get description of file \"' //\n & TRIM( BDSNP_NAFILE ) // '\"'\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT1 )\n END IF\n\n call subhfile( BDSNP_NAFILE, gxoff, gyoff, strtcol,\n & endcol, strtrow, endrow )\n\n\n IF ( .NOT. XTRACT3( BDSNP_NAFILE, 'NONARID',\n & 1, 1, strtrow, endrow, strtcol, endcol,\n & megan_day, megan_hr, bdsnp_nonarid(:,:) ) ) THEN\n mesg = 'Could not extract ' // BDSNP_NAFILE // ' file'\n CALL M3EXIT ( PNAME, 0, megan_hr, mesg, XSTAT1 )\n END IF\n\n ! BDSNP landtype input\n\n IF ( .NOT. OPEN3( BDSNP_LFILE, FSREAD3, PNAME ) ) THEN\n mesg = 'Open failure for ' // BDSNP_LFILE\n Call M3EXIT( PNAME, 0, 0, mesg, XSTAT1 )\n END IF\n\n IF ( .NOT. DESC3( BDSNP_LFILE ) ) THEN\n MESG = 'Could not get description of file \"' //\n & TRIM( BDSNP_LFILE ) // '\"'\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT1 )\n END IF\n\n call subhfile( BDSNP_LFILE, gxoff, gyoff, strtcol,\n & endcol, strtrow, endrow )\n\n IF ( .NOT. XTRACT3( BDSNP_LFILE, 'LANDTYPE',\n & 1, 1, strtrow, endrow, strtcol, endcol,\n & megan_day, megan_hr, bdsnp_landtype(:,:) ) ) THEN\n mesg = 'Could not extract ' // BDSNP_LFILE // ' file'\n CALL M3EXIT ( PNAME, 0, megan_hr, mesg, XSTAT1 )\n END IF\n#endif\n\n end if ! BDSNP_MEGAN\n\n end subroutine megan_setup\n\n! MPAS only routines:\n#ifdef mpas\n! -------------------------------------------------------------------------\n subroutine stack_files_setup_mpas\n\n! USE UTILIO_DEFN\n use stk_prms\n use stack_group_data_module\n use get_env_module\n use hgrd_defn, only : ncols, mype\n use vgrd_defn, only : nlays\n use coupler_module, only : pres_ind, g3ddata\n use centralized_io_util_module, only : quicksort\n use util_module, only : index1\n use RUNTIME_VARS, only : emis_sym_date\n\n use mydata_module\n\n include SUBST_FILES_ID ! file name parameters\n\n character( 40 ), parameter :: pname = 'stack_files_setup_mpas'\n\n character( 120 ) :: xmsg = ' '\n character( 500 ) :: map_fname, fname\n integer :: n, v, pt, max_nsrc_pts, max_nvars, begin, end, stat, delta,\n & num_mesh_points, my_num_mesh_points, t_nvars, floc\n integer, allocatable :: d_size(:), pt_size(:),\n & stk_gp_sdate(:), stk_gp_stime(:),\n & stk_gp_nlays(:), mpas_map(:), my_mpas_map_index(:),\n & tdata_1di(:)\n real, allocatable :: tdata_1dr(:)\n\n call get_env (map_fname, 'mpas_dmap_file', ' ')\n call get_env (num_mesh_points, 'num_mesh_points', 1)\n\n allocate (cio_stack_file_name(nptgrps),\n & cio_stack_file_loc(nptgrps),\n & n_cio_stack_emis_vars(nptgrps),\n & n_cio_stack_emis_lays(nptgrps),\n & n_cio_stack_emis_pts(nptgrps),\n & cio_mpas_stack_emis_timestamp(nptgrps),\n & stkgname(nptgrps),\n & d_size(nptgrps),\n & pt_size(nptgrps),\n & stk_gp_sdate(nptgrps),\n & stk_gp_stime(nptgrps),\n & stk_gp_nlays(nptgrps),\n & fire_on(nptgrps),\n & nsrc(nptgrps),\n & mpas_map(num_mesh_points),\n & my_mpas_map_index(num_mesh_points), ! my mesh point\n & stat=stat)\n if (stat .ne. 0) then\n xmsg = 'Failure allocating cio_stack_file_name and other arrays'\n call prog_interrupt (pname, 0, 0, xmsg, 1)\n end if\n\n my_data = .false.\n my_cell_num = -1\n open (unit = 97, file = map_fname, status = 'old')\n my_num_mesh_points = 0\n do n = 1, num_mesh_points\n read (97, *) mpas_map(n) \n if (mpas_map(n) == mype) then\n my_num_mesh_points = my_num_mesh_points + 1\n my_mpas_map_index(my_num_mesh_points) = n\n end if\n end do\n close (97)\n\n fire_on = .false. ! array assignment\n! go through all stack group one time to figure out max number of source points\n stkgname = ' ' ! array\n do n = 1, nptgrps\n write( stkgname( n ),'( \"STK_GRPS_\",I3.3 )' ) n\n end do\n\n if ( .not. stk_prms_init( stkgname ) ) then\n write (cio_logdev, *) 'Could not initialize stack parameters'\n stop\n end if\n\n do n = 1, nptgrps\n\n floc = mio_search(stkgname(n))\n\n! stk_gp_sdate(n) = mio_file_data(floc)%var_name(ivar)\n! stk_gp_stime(n) = mio_file_data(floc)%var_name(ivar)\n stk_gp_nlays(n) = mio_file_data(floc)%dim_value(3)\n\n nsrc( n ) = mio_file_data(floc)%dim_value(5)\n\n\n do v = 1, mio_file_data(floc)%nvars\n if ( mio_file_data(floc)%var_name(v) .eq. 'ACRESBURNED' ) fire_on( n ) = .true.\n end do\n end do\n max_nsrc_pts = maxval(nsrc)\n\n allocate (stkid(max_nsrc_pts, nptgrps),\n & my_nsrc_index(max_nsrc_pts, nptgrps), ! my source number\n & my_nsrc_mesh_index(max_nsrc_pts, nptgrps), ! my source w.r.t. to my mesh point\n & my_nsrc_pressure(nlays, max_nsrc_pts, nptgrps), ! my source pressure\n & stat = stat)\n if (stat .ne. 0) then\n xmsg = 'Failure allocating other stack group variable arrays'\n call prog_interrupt (pname, cio_model_sdate, cio_model_stime, xmsg, 1)\n end if\n\n! read in stack group data\n\n do n = 1, nptgrps\n\n allocate (tdata_1di(nsrc(n)), stat = stat)\n\n call mio_fread (stkgname(n), 'ROW', pname, tdata_1di)\n\n my_nsrc(n) = 0\n do v = 1, nsrc(n)\n pt = index1 (tdata_1di(v), my_num_mesh_points, my_mpas_map_index)\n\n if (pt .gt. 0) then\n my_nsrc(n) = my_nsrc(n) + 1\n my_nsrc_index(my_nsrc(n), n) = v\n my_nsrc_mesh_index(my_nsrc(n), n) = pt\n end if\n end do\n\n deallocate (tdata_1di)\n\n end do\n\n allocate ( my_stkbuff ( maxval( my_nsrc ) ),\n & my_colbuff ( maxval( my_nsrc ) ),\n & my_rowbuff ( maxval( my_nsrc ) ), \n & stat=stat )\n\n my_strt_src = 0\n do n = 1, nptgrps\n\n if ( my_nsrc( n ) .gt. 0 ) then\n\n my_strt_src(n) = 1\n my_end_src(n) = my_nsrc(n)\n\n stkdiam(n)%len = my_nsrc(n)\n stkht(n)%len = my_nsrc(n)\n stktk(n)%len = my_nsrc(n)\n stkvel(n)%len = my_nsrc(n)\n\n allocate (stkdiam(n)%arry(my_nsrc(n)), \n & stkht(n)%arry(my_nsrc(n)), \n & stktk(n)%arry(my_nsrc(n)), \n & stkvel(n)%arry(my_nsrc(n)), \n & tdata_1dr(nsrc(n)),\n & stat=stat )\n\n if ( fire_on(n) ) then\n acres_burned(n)%len = my_nsrc(n)\n allocate (acres_burned(n)%arry(my_nsrc(n)), \n & stat=stat )\n end if\n\n call mio_fread (stkgname(n), 'STKDM', pname, tdata_1dr)\n\n do v = 1, my_nsrc(n)\n stkdiam( n )%arry(v) = tdata_1dr(my_nsrc_index(v, n))\n my_nsrc_pressure(:,v,n) = g3ddata(my_nsrc_mesh_index(v, n),1,:,pres_ind)\n end do\n\n call mio_fread (stkgname(n), 'STKHT', pname, tdata_1dr)\n\n do v = 1, my_nsrc(n)\n stkht( n )%arry(v) = tdata_1dr(my_nsrc_index(v, n))\n end do\n\n call mio_fread (stkgname(n), 'STKTK', pname, tdata_1dr)\n\n do v = 1, my_nsrc(n)\n stktk( n )%arry(v) = tdata_1dr(my_nsrc_index(v, n))\n end do\n\n call mio_fread (stkgname(n), 'STKVE', pname, tdata_1dr)\n\n do v = 1, my_nsrc(n)\n stkvel( n )%arry(v) = tdata_1dr(my_nsrc_index(v, n))\n end do\n\n if ( fire_on( n ) ) then\n call mio_fread (stkgname(n), 'ACRESBURNED', pname, tdata_1dr)\n\n do v = 1, my_nsrc(n)\n acres_burned( n )%arry(v) = tdata_1dr(my_nsrc_index(v, n))\n end do\n\n end if\n\n deallocate (tdata_1dr)\n end if\n\n end do\n\n! process stack emission files\n max_nvars = 0\n d_size = 0\n do pt = 1, nptgrps\n\n write( cio_stack_file_name(pt), '( \"STK_EMIS_\",I3.3 )' ) pt\n\n floc = mio_search(cio_stack_file_name(pt))\n cio_stack_file_loc(pt) = floc\n\n n_cio_stack_emis_vars(pt) = mio_file_data(floc)%nvars\n n_cio_stack_emis_lays(pt) = mio_file_data(floc)%nlays\n n_cio_stack_emis_pts(pt) = nsrc( pt )\n\n cio_mpas_stack_emis_timestamp(pt) = mio_file_data(floc)%timestamp(1)\n\n if (max_nvars .lt. mio_file_data(floc)%nvars) then\n max_nvars = mio_file_data(floc)%nvars\n end if\n\n if (my_strt_src(pt) .gt. 0) then\n pt_size(pt) = (my_end_src(pt) - my_strt_src(pt) + 1) * n_cio_stack_emis_lays(pt)\n d_size(pt) = mio_file_data(floc)%nvars * pt_size(pt) * 3\n else\n pt_size(pt) = 0\n d_size(pt) = 0\n end if\n\n end do\n\n allocate (cio_stack_var_name(max_nvars, nptgrps),\n & head_stack_emis(max_nvars, nptgrps),\n & tail_stack_emis(max_nvars, nptgrps),\n & cio_stack_emis_data_inx(2, 0:2, max_nvars, nptgrps),\n & cio_stack_emis_data_tstamp(2, 0:2, max_nvars, nptgrps),\n & cio_stack_data(sum(d_size)),\n & f_stk_emis(NPTGRPS),\n & stat = stat)\n if (stat .ne. 0) then\n xmsg = 'Failure allocating other stack arrays'\n call prog_interrupt (pname, 0, 0, xmsg, 1)\n end if\n\n begin = 1\n cio_stack_emis_data_inx = -1\n do pt = 1, nptgrps\n\n floc = cio_stack_file_loc(pt)\n\n n_opened_file = n_opened_file + 1\n f_stk_emis(pt) = n_opened_file\n\n! Check whether file is a representative day type\n write (fname, '(a16, i3.3)') \"STK_EM_SYM_DATE_\", pt\n file_sym_date(f_stk_emis(pt)) = emis_sym_date ! Master switch to change default\n call get_env(file_sym_date(f_stk_emis(pt)), fname,\n & file_sym_date(f_stk_emis(pt)), logdev)\n\n file_sdate(f_stk_emis(pt)) = mio_file_data(floc)%tflag(1,1)\n file_stime(f_stk_emis(pt)) = mio_file_data(floc)%tflag(2,1)\n file_tstep(f_stk_emis(pt)) = mio_file_data(floc)%tstep\n\n t_nvars = mio_file_data(floc)%nvars\n\n cio_stack_var_name(1:t_nvars, pt) = mio_file_data(floc)%var_name(1:t_nvars)\n\n call quicksort(cio_stack_var_name(1:t_nvars,pt), 1, t_nvars)\n\n if (my_nsrc(pt) .gt. 0) then\n do v = 1, mio_file_data(floc)%nvars\n do n = 0, 2\n cio_stack_emis_data_inx(1,n,v,pt) = begin\n end = begin + pt_size(pt) - 1\n cio_stack_emis_data_inx(2,n,v,pt) = end\n begin = end + 1\n end do\n end do\n end if\n end do\n\n deallocate (d_size)\n\n end subroutine stack_files_setup_mpas\n\n! -------------------------------------------------------------------------\n subroutine retrieve_stack_data_mpas (jdate, jtime, fname, vname)\n\n! USE UTILIO_DEFN\n use stk_prms, only : my_strt_src, my_end_src, my_nsrc, my_nsrc_index\n use stack_group_data_module, only : nsrc\n use util_module, only : NEXTIME\n use centralized_io_util_module, only : binary_search\n\n include SUBST_FILES_ID ! file name parameters\n\n integer, intent(in) :: jdate, jtime\n character (*), intent(in), optional :: fname, vname\n\n character( 40 ), parameter :: pname = 'retrieve_stack_data_mpas'\n\n logical, save :: firstime = .true.\n integer :: stat, i, j, begin, end, buf_loc, iterations,\n & iter, loc_jdate, loc_jtime, v, beg_v, end_v,\n & beg_gp, end_gp, gp, fnum\n real, allocatable :: tdata_1dr(:)\n character (20) :: mpas_time_stamp\n character (20), allocatable, save :: mpas_stack_loc_time_stamp(:)\n\n character( 120 ) :: xmsg = ' '\n\n if (firstime) then\n\n allocate (mpas_stack_loc_time_stamp(nptgrps), stat=stat)\n\n do i = 1, nptgrps\n j = mio_search (cio_stack_file_name(i))\n mpas_stack_loc_time_stamp(i) = mio_file_data(j)%timestamp(1)\n end do\n\n head_stack_emis = -1\n tail_stack_emis = -1\n\n iterations = 2\n else\n iterations = 1\n end if\n\n if (present(vname)) then\n beg_gp = binary_search (fname, cio_stack_file_name, nptgrps)\n end_gp = beg_gp\n beg_v = binary_search (vname, cio_stack_var_name(:,beg_gp), n_cio_stack_emis_vars(beg_gp))\n end_v = beg_v\n else\n beg_gp = 1\n end_gp = nptgrps\n end if\n\n do gp = beg_gp, end_gp\n\n allocate (tdata_1dr(nsrc(gp)), stat = stat)\n\n if (firstime) then\n loc_jdate = jdate\n if (file_sym_date(f_stk_emis(gp))) loc_jdate = file_sdate(f_stk_emis(gp)) ! Representative day check\n loc_jtime = jtime\n else\n loc_jdate = jdate\n loc_jtime = jtime\n end if\n\n if (.not. present(vname)) then\n beg_v = 1\n end_v = n_cio_stack_emis_vars(gp)\n end if\n\n! cio_stack_emis_data_inx\n\n do iter = 1, iterations\n\n call mio_time_format_conversion (loc_jdate, loc_jtime, mpas_time_stamp)\n\n do v = beg_v, end_v\n buf_loc = mod((tail_stack_emis(v, gp) + iter), 2)\n\n cio_stack_emis_data_tstamp(1, buf_loc, v, gp) = loc_jdate\n cio_stack_emis_data_tstamp(2, buf_loc, v, gp) = loc_jtime\n\n begin = cio_stack_emis_data_inx(1, buf_loc, v, gp)\n end = cio_stack_emis_data_inx(2, buf_loc, v, gp)\n\n if ((begin .gt. 0) .and. (my_nsrc(gp) .gt. 0)) then\n\n call mio_fread (cio_stack_file_name(gp),\n & cio_stack_var_name(v, gp), \n & pname,\n & tdata_1dr,\n & mpas_time_stamp)\n\n do i = 1, my_nsrc(gp)\n cio_stack_data(begin+i-1) = tdata_1dr(my_nsrc_index(i, gp))\n end do\n end if\n end do\n\n call nextime ( loc_jdate, loc_jtime, file_tstep(f_stk_emis(gp)) )\n\n end do ! end iter\n\n deallocate (tdata_1dr)\n\n end do\n\n if (firstime) then\n firstime = .false.\n head_stack_emis = 0\n tail_stack_emis = 1\n else\n do gp = beg_gp, end_gp\n do v = beg_v, end_v\n head_stack_emis(v, gp) = mod(head_stack_emis(v, gp)+1, 2)\n tail_stack_emis(v, gp) = mod(tail_stack_emis(v, gp)+1, 2)\n end do\n end do\n end if\n\n end subroutine retrieve_stack_data_mpas\n\n! -------------------------------------------------------------------------\n subroutine retrieve_ocean_data_mpas\n\n USE HGRD_DEFN\n USE mio_module, only : mio_search\n \n character (30), parameter :: pname = 'retrieve_ocean_data_mpas'\n character (20) :: ocean_file = 'OCEAN_1'\n character (120) :: xmsg = ' '\n character (1000) :: fname\n integer :: floc, stat\n logical :: exist\n\n call get_env (fname, ocean_file, ' ')\n inquire (file=fname, exist=exist)\n\n allocate (ocean(ncols, nrows), \n & szone(ncols, nrows), \n & chlr(ncols, nrows),\n & dmsl(ncols, nrows), \n & STAT=STAT)\n if (stat .ne. 0) then\n xmsg = 'Failure allocating OPEN, SURF, CHLO, DMS array'\n call M3EXIT (PNAME, 0, 0, XMSG, 1)\n end if\n\n if (ocean_chem) then\n\n! if OCEAN file does not exist, g2ddata with open_ind and surf_ind have\n! been setup in subroutne mpas_cmaq_coupler, mpas_atmchem_interface.F\n if (exist) then\n floc = mio_search (ocean_file)\n\n call mio_fread (ocean_file,\n & 'OPEN',\n & pname,\n & g2ddata(:, 1, open_ind),\n & mio_file_data(floc)%timestamp(1))\n\n call mio_fread (ocean_file,\n & 'SURF',\n & pname,\n & g2ddata(:, 1, surf_ind),\n & mio_file_data(floc)%timestamp(1))\n\n call mio_fread (ocean_file,\n & 'CHLO',\n & pname,\n & g2ddata(:, 1, chlo_ind),\n & mio_file_data(floc)%timestamp(1))\n\n call mio_fread (ocean_file,\n & 'DMS',\n & pname,\n & g2ddata(:, 1, dms_ind),\n & mio_file_data(floc)%timestamp(1))\n end if\n\n ocean(:,1) = g2ddata(:,1,open_ind)\n szone(:,1) = g2ddata(:,1,surf_ind)\n dmsl(:,1) = g2ddata(:,1,dms_ind)\n chlr(:,1) = g2ddata(:,1,chlo_ind)\n else\n ocean = 0.0\n szone = 0.0 \n dmsl = 0.0 \n chlr = 0.0\n end if\n\n end subroutine retrieve_ocean_data_mpas\n\n! -------------------------------------------------------------------------\n subroutine r_interpolate_var_1d_mpas (vname, date, time, data)\n\n use hgrd_defn, only : ncols, nrows\n use vgrd_defn, only : nlays\n use centralized_io_util_module, only : binary_search\n\n character (*), intent(in) :: vname\n integer, intent(in) :: date, time\n real, intent(out) :: data(:)\n\n integer :: var_loc\n character (40) :: msg\n\n var_loc = binary_search (vname, vname_2d, n2d_data)\n\n if (var_loc .gt. 0) then\n data = g2ddata(:,1,var_loc)\n else\n write (msg, *) ' Error: Cannot find species ', trim(vname)\n call prog_interrupt ( 'interpolate_var', 0, 0, msg, 1)\n end if\n\n end subroutine r_interpolate_var_1d_mpas\n\n! -------------------------------------------------------------------------\n subroutine r_interpolate_var_1ds_mpas (fname, vname, date, time, data)\n\n use stk_prms, only : my_strt_src, my_end_src, my_nsrc\n use util_module, only : nextime , secsdiff\n use centralized_io_util_module, only : binary_search\n use util_module, only : time2sec\n\n character (*), intent(in) :: fname, vname\n integer, intent(in) :: date, time\n real, intent(out) :: data(:)\n\n integer :: head_beg_ind, head_end_ind,\n & tail_beg_ind, tail_end_ind,\n & store_beg_ind, store_end_ind,\n & var_loc, loc_head, loc_tail, m, r, c,\n & loc_jdate, loc_jtime, dsize, pt, loc_tstep\n integer, save :: prev_time = -1\n integer, save :: prev_head_time = -1\n integer, save :: prev_tail_time = -1\n integer, save :: lcount = 0\n real, save :: ratio1, ratio2\n character(200) :: xmsg\n\n pt = binary_search (fname, cio_stack_file_name, NPTGRPS)\n\n var_loc = binary_search (vname, cio_stack_var_name(:,pt), n_cio_stack_emis_vars(pt))\n\n if (var_loc .lt. 0) then\n write (cio_logdev, '(a9, a, a33)') 'Warning: ', trim(vname), ' is not available in a stack file.'\n write (xmsg, '(A9,A,A,A)' ) 'ERROR: ',trim(vname), ' is not available ',\n & 'on a Stack Emisison file. Simulation will now terminate.'\n call M3EXIT ( 'Centralized I/O Module', date, time, xmsg, 1 )\n else\n dsize = my_nsrc(pt)\n\n loc_tstep = file_tstep(f_stk_emis(pt)) \n\n loc_head = head_stack_emis(var_loc, pt)\n loc_tail = tail_stack_emis(var_loc, pt)\n\n if ((cio_stack_emis_data_tstamp(1, loc_tail, var_loc, pt) .lt. date) .or.\n & ((cio_stack_emis_data_tstamp(1, loc_tail, var_loc, pt) .eq. date) .and.\n & (cio_stack_emis_data_tstamp(2, loc_tail, var_loc, pt) .eq. 0)) .or.\n & ((cio_stack_emis_data_tstamp(2, loc_tail, var_loc, pt) .lt. time) .and.\n & (cio_stack_emis_data_tstamp(1, loc_tail, var_loc, pt) .eq. date))) then\n\n loc_jdate = cio_stack_emis_data_tstamp(1, loc_tail, var_loc, pt)\n loc_jtime = cio_stack_emis_data_tstamp(2, loc_tail, var_loc, pt) \n CALL NEXTIME ( loc_jdate, loc_jtime, loc_tstep )\n call retrieve_stack_data_mpas (loc_jdate, loc_jtime, fname, vname)\n loc_head = head_stack_emis(var_loc, pt)\n loc_tail = tail_stack_emis(var_loc, pt)\n end if\n\n if ((cio_stack_emis_data_tstamp(1, 2, var_loc, pt) .eq. date) .and.\n & (cio_stack_emis_data_tstamp(2, 2, var_loc, pt) .eq. time)) then\n count = count + 1\n else\n\n cio_stack_emis_data_tstamp(1, 2, var_loc, pt) = date\n cio_stack_emis_data_tstamp(2, 2, var_loc, pt) = time\n\n if ((prev_time .ne. time) .or.\n & (prev_head_time .ne. cio_stack_emis_data_tstamp(2, loc_head, var_loc, pt)) .or.\n & (prev_tail_time .ne. cio_stack_emis_data_tstamp(2, loc_tail, var_loc, pt))) then\n\n if (cio_stack_emis_data_tstamp(1, loc_head, var_loc, pt) .eq. date) then\n ratio2 = real(secsdiff(time, cio_stack_emis_data_tstamp(2, loc_head, var_loc, pt))) \n & / real(time2sec(loc_tstep))\n ratio1 = 1.0 - ratio2\n else\n ratio2 = real(secsdiff(240000, cio_stack_emis_data_tstamp(2, loc_head, var_loc, pt))) \n & / real(time2sec(loc_tstep))\n ratio1 = 1.0 - ratio2\n end if\n prev_time = time\n prev_head_time = cio_stack_emis_data_tstamp(2, loc_head, var_loc, pt)\n prev_tail_time = cio_stack_emis_data_tstamp(2, loc_tail, var_loc, pt)\n \n if ( (ratio1 .lt. 0) .or. (ratio2 .lt. 0) \n & .or. (ratio1 .gt. 1) .or. (ratio2 .gt. 1)) then\n write(logdev,'(5X,a,a)'),\n & 'ERROR: Incorrect Interpolation in 1-D Stack Interpolation for variable: ',\n & trim(vname)\n \n write(logdev,'(5X,a,i7,a,i6)'), \n & 'Requested TIME & DATE: ',date,':',time\n \n write(logdev,'(5X,a,i7,a,i6,a,i7,a,i6)'),\n & 'Interpolation Bounds ',cio_stack_emis_data_tstamp(1,0,var_loc,pt),\n & ':',cio_stack_emis_data_tstamp(2,0,var_loc,pt),' to ',\n & cio_stack_emis_data_tstamp(1,1,var_loc,pt),':',cio_stack_emis_data_tstamp(2,1,var_loc,pt)\n call M3EXIT( 'Centralized I/O',date,time,'',1 )\n write(logdev,'(5X,a)'),\n & 'ERROR: Program EXIT in subroutine r_interpolate_var_1ds in module centralized io'\n end if \n else\n lcount = lcount + 1\n end if\n\n head_beg_ind = cio_stack_emis_data_inx(1,loc_head,var_loc, pt)\n head_end_ind = cio_stack_emis_data_inx(2,loc_head,var_loc, pt)\n tail_beg_ind = cio_stack_emis_data_inx(1,loc_tail,var_loc, pt)\n tail_end_ind = cio_stack_emis_data_inx(2,loc_tail,var_loc, pt)\n store_beg_ind = cio_stack_emis_data_inx(1,2,var_loc, pt)\n store_end_ind = cio_stack_emis_data_inx(2,2,var_loc, pt)\n\n cio_stack_data(store_beg_ind:store_end_ind) = cio_stack_data(head_beg_ind:head_end_ind) * ratio1\n & + cio_stack_data(tail_beg_ind:tail_end_ind) * ratio2\n\n end if\n \n store_beg_ind = cio_stack_emis_data_inx(1,2,var_loc, pt)\n\n data(1:dsize) = cio_stack_data(store_beg_ind:store_beg_ind+dsize-1)\n\n end if\n\n end subroutine r_interpolate_var_1ds_mpas\n\n! -------------------------------------------------------------------------\n subroutine r_interpolate_var_2d_mpas (vname, date, time, data,\n & scol, ecol, srow, erow, slay)\n\n use hgrd_defn, only : ncols, nrows\n use vgrd_defn, only : nlays\n use centralized_io_util_module, only : binary_search\n\n character (*), intent(in) :: vname\n integer, intent(in) :: date, time\n real, intent(out) :: data(:,:)\n integer, intent(in), optional :: scol, ecol, srow, erow, slay\n\n integer :: var_loc\n character (40) :: msg\n\n var_loc = binary_search (vname, vname_2d, n2d_data)\n\n if (var_loc .gt. 0) then\n data = g2ddata(:,:,var_loc)\n else\n write (msg, *) ' Error: Cannot find species ', trim(vname)\n call prog_interrupt ( 'interpolate_var', 0, 0, msg, 1)\n end if\n\n end subroutine r_interpolate_var_2d_mpas\n\n! -------------------------------------------------------------------------\n subroutine i_interpolate_var_2d_mpas (vname, date, time, data)\n\n use hgrd_defn, only : ncols, nrows\n use vgrd_defn, only : nlays\n use centralized_io_util_module, only : binary_search\n\n character (*), intent(in) :: vname\n integer, intent(in) :: date, time\n integer, intent(out) :: data(:,:)\n\n integer :: var_loc\n character (40) :: msg\n\n var_loc = binary_search (vname, vname_2d, n2d_data)\n\n if (var_loc .gt. 0) then\n data = g2ddata(:,:,var_loc)\n else\n write (msg, *) ' Error: Cannot find species ', trim(vname)\n call prog_interrupt ( 'interpolate_var', 0, 0, msg, 1)\n end if\n\n end subroutine i_interpolate_var_2d_mpas\n\n! -------------------------------------------------------------------------\n subroutine r_interpolate_var_2dx_mpas (vname, date, time, data, flag)\n\n use hgrd_defn, only : ncols, nrows\n use vgrd_defn, only : nlays\n use centralized_io_util_module, only : binary_search\n\n character (*), intent(in) :: vname\n integer, intent(in) :: date, time\n logical, intent(in) :: flag\n real, intent(out) :: data(:,:)\n\n integer :: var_loc\n character (40) :: msg\n\n var_loc = binary_search (vname, vname_2d, n2d_data)\n\n if (var_loc .gt. 0) then\n data = g2ddata(:,:,var_loc)\n else\n write (msg, *) ' Error: Cannot find species ', trim(vname)\n call prog_interrupt ( 'interpolate_var', 0, 0, msg, 1)\n end if\n\n end subroutine r_interpolate_var_2dx_mpas\n\n! -------------------------------------------------------------------------\n subroutine r_interpolate_var_3d_mpas (vname, date, time, data, fname)\n\n use hgrd_defn, only : ncols, nrows\n use util_module, only : nextime\n use centralized_io_util_module, only : binary_search, time_diff\n use util_module, only : time2sec\n\n character (*), intent(in) :: vname\n integer, intent(in) :: date, time\n real, intent(out) :: data(:,:,:)\n character (*), intent(in), optional :: fname\n\n integer :: var_loc, slen, loc_head, loc_tail, \n & loc_jdate, loc_jtime, beg_k, end_k,\n & m, k, r, c,\n & head_beg_ind, head_end_ind,\n & tail_beg_ind, tail_end_ind,\n & store_beg_ind, store_end_ind, loc_tstep, fnum\n integer, save :: prev_time = -1\n integer, save :: prev_head_time = -1\n integer, save :: lcount = 0\n real, save :: ratio1, ratio2\n character (40) :: msg, loc_vname\n character (20) :: loc_mpas_time_stamp\n\n if (present(fname)) then\n slen = len_trim(fname)\n loc_vname = trim(vname) // fname(slen-3:slen)\n else\n loc_vname = vname\n end if\n\n var_loc = binary_search (loc_vname, vname_3d, n3d_data)\n\n if (var_loc .gt. 0) then\n data = g3ddata(:,:,:,var_loc)\n else\n\n var_loc = binary_search (loc_vname, cio_grid_var_name(:,1), n_cio_grid_vars)\n\n if (var_loc .lt. 0) then\n write (msg, *) ' Error: Cannot find species ', trim(vname)\n call prog_interrupt ( 'interpolate_var', 0, 0, msg, 1)\n else\n loc_head = head_grid(var_loc)\n loc_tail = tail_grid(var_loc)\n\n if (cio_grid_var_name(var_loc,3) == 'm') then\n loc_tstep = file_tstep(f_met) \n else if ((cio_grid_var_name(var_loc,2) == 'e2d') .or.\n & (cio_grid_var_name(var_loc,2) == 'e3d')) then\n\n slen = len_trim(cio_grid_var_name(var_loc,1))\n read (cio_grid_var_name(var_loc,1)(slen-2:slen), *) fnum\n\n loc_tstep = file_tstep(f_emis(fnum)) \n else if (cio_grid_var_name(var_loc,2) == 'lnt') then\n loc_tstep = file_tstep(f_ltng)\n else if (cio_grid_var_name(var_loc,2) == 'ic') then\n loc_tstep = file_tstep(f_icon)\n else if (cio_grid_var_name(var_loc,2) == 'bct') then\n loc_tstep = file_tstep(f_bcon)\n else if (cio_grid_var_name(var_loc,2) == 'is') then\n loc_tstep = file_tstep(f_is_icon)\n end if\n\n call mio_time_format_conversion (date, time, loc_mpas_time_stamp)\n\n if (cio_mpas_grid_data_tstamp(loc_tail, var_loc) .lt. loc_mpas_time_stamp) then\n\n call mio_time_format_conversion (cio_mpas_grid_data_tstamp(loc_tail, var_loc), loc_jdate, loc_jtime)\n\n call retrieve_time_dep_gridded_data (loc_jdate, loc_jtime, loc_vname)\n loc_head = head_grid(var_loc)\n loc_tail = tail_grid(var_loc)\n end if\n\n if ((cio_grid_data_tstamp(1, 2, var_loc) .eq. date) .and.\n & (cio_grid_data_tstamp(2, 2, var_loc) .eq. time)) then\n count = count + 1\n else\n\n cio_grid_data_tstamp(1, 2, var_loc) = date\n cio_grid_data_tstamp(2, 2, var_loc) = time\n\n if ((prev_time .ne. time) .or.\n & (prev_head_time .ne. cio_grid_data_tstamp(2, loc_head, var_loc))) then\n if (cio_grid_data_tstamp(1, loc_head, var_loc) .eq. date) then\n ratio2 = real(time_diff(time, cio_grid_data_tstamp(2, loc_head, var_loc)))\n & / real(time2sec(loc_tstep))\n ratio1 = 1.0 - ratio2\n else\n ratio2 = real(time_diff(240000, cio_grid_data_tstamp(2, loc_head, var_loc)))\n & / real(time2sec(loc_tstep))\n ratio1 = 1.0 - ratio2\n end if\n prev_time = time\n prev_head_time = cio_grid_data_tstamp(2, loc_head, var_loc)\n else\n lcount = lcount + 1\n end if\n\n head_beg_ind = cio_grid_data_inx(1,loc_head,var_loc)\n head_end_ind = cio_grid_data_inx(2,loc_head,var_loc)\n tail_beg_ind = cio_grid_data_inx(1,loc_tail,var_loc)\n tail_end_ind = cio_grid_data_inx(2,loc_tail,var_loc)\n store_beg_ind = cio_grid_data_inx(1,2,var_loc)\n store_end_ind = cio_grid_data_inx(2,2,var_loc)\n\n cio_grid_data(store_beg_ind:store_end_ind) = cio_grid_data(head_beg_ind:head_end_ind) * ratio1\n & + cio_grid_data(tail_beg_ind:tail_end_ind) * ratio2\n\n end if\n\n beg_k = 1\n if (cio_grid_var_name(var_loc, 2) .eq. 'e2d') then\n end_k = 1\n else\n end_k = size(data,3)\n end if\n\n store_beg_ind = cio_grid_data_inx(1,2,var_loc)\n m = store_beg_ind - 1\n do k = beg_k, end_k\n do r = 1, size(data,2)\n do c = 1, size(data,1)\n m = m + 1\n data(c,r,k) = cio_grid_data(m)\n end do\n end do\n end do\n\n end if\n end if\n\n end subroutine r_interpolate_var_3d_mpas\n\n#else\n\n! -------------------------------------------------------------------------\n subroutine boundary_files_setup\n\n USE UTILIO_DEFN\n use HGRD_DEFN, only : ncols, nrows\n USE VGRD_DEFN, only : VGTYP_GD, nlays\n use centralized_io_util_module, only : quicksort\n\n INCLUDE SUBST_FILES_ID ! file name parameters\n\n Character( 40 ), parameter :: pname = 'boundary_files_setup'\n\n CHARACTER( 120 ) :: XMSG = ' '\n INTEGER :: GXOFF, GYOFF, stat, n, v, d_size, begin, end\n\n character( 16 ), allocatable :: b3d_name(:,:)\n character( 16 ) :: mb3d_name(2, 2)\n\n! MET_BDY_3D file, need to be opened when window is F\n if (.not. window) then\n#ifndef twoway\n IF ( .NOT. OPEN3( MET_BDY_3D, FSREAD3, PNAME ) ) THEN\n XMSG = 'Could not open '// MET_BDY_3D // ' file'\n CALL M3EXIT ( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n IF ( .NOT. DESC3( MET_BDY_3D ) ) THEN\n XMSG = 'Could not get file description from '// MET_BDY_3D\n CALL M3EXIT ( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n#endif\n n_mb3d = 2\n mb3d_name = 'mb' ! denote met 3D boundary variable\n mb3d_name(1,1) = 'DENSA_J'\n mb3d_name(2,1) = 'JACOBM'\n else\n n_mb3d = 0\n end if\n\n! BCON file\n IF ( .NOT. OPEN3( BCFILE, FSREAD3, PNAME ) ) THEN\n XMSG = 'Could not open '// BCFILE // ' file'\n CALL M3EXIT ( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n n_opened_file = n_opened_file + 1\n f_bcon = n_opened_file\n IF ( .NOT. DESC3( BCFILE ) ) THEN\n XMSG = 'Could not get description of file '// BCFILE \n CALL M3EXIT ( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n\n file_sdate(f_bcon) = sdate3d\n file_stime(f_bcon) = stime3d\n file_tstep(f_bcon) = tstep3d\n file_xcell(f_bcon) = xcell3d\n file_ycell(f_bcon) = ycell3d\n\n n_b3d = nvars3d\n size_b2d = (ncols3d + nrows3d + 2 * nthik3d) * 2 * nthik3d\n size_b3d = size_b2d * nlays\n\n allocate (b3d_name(n_b3d, 2),\n & cio_bc_file_var_name(nvars3d),\n & stat=stat)\n if (stat .ne. 0) then\n xmsg = 'Failure allocating mb3d_name '\n call m3exit (pname, 0, 0, xmsg, xstat1 )\n end if\n\n if (tstep3d == 0) then\n b3d_name = 'bc' ! denote time independent 3D boundary variable\n else\n b3d_name = 'bct' ! denote time dependent 3D boundary variable\n end if\n\n b3d_name(:,1) = vname3d(1:nvars3d) \n cio_bc_file_var_name = vname3d(1:nvars3d)\n n_cio_bc_file_vars = nvars3d\n\n! combining all files\n n_cio_bndy_vars = n_mb3d + n_b3d\n\n allocate (cio_bndy_var_name(n_cio_bndy_vars, 2),\n & cio_bndy_data_inx(2, 0:2, n_cio_bndy_vars),\n & head_bndy(n_cio_bndy_vars),\n & tail_bndy(n_cio_bndy_vars),\n & cio_bndy_data_tstamp(2, 0:2, n_cio_bndy_vars),\n & cio_bndy_data(size_b3d * 3 * (n_mb3d + n_b3d)), ! boundary data\n & stat = stat)\n if (stat .ne. 0) then\n xmsg = 'Failure allocating cio_bndy_var_name and associated arrays '\n call m3exit (pname, 0, 0, xmsg, xstat1 )\n end if\n\n begin = 1\n end = n_b3d\n cio_bndy_var_name(begin:end, :) = b3d_name\n if (.not. window) then\n begin = end + 1\n end = end + 2\n cio_bndy_var_name(begin:end, :) = mb3d_name\n end if\n\n deallocate (b3d_name)\n\n call quicksort(cio_bndy_var_name, 1, n_cio_bndy_vars)\n\n begin = 1\n do v = 1, n_cio_bndy_vars\n\n do n = 0, 2\n cio_bndy_data_inx(1, n, v) = begin\n end = begin + size_b3d - 1\n cio_bndy_data_inx(2, n, v) = end\n begin = end + 1\n end do\n! this is for checking purposes\n! write (logdev, '(a13, i5, 1x, a16, a4, 10i10)') ' ==d== bfile ', v,\n! & cio_bndy_var_name(v,:), cio_bndy_data_inx(:,:,v)\n end do\n\n end subroutine boundary_files_setup\n\n! -------------------------------------------------------------------------\n subroutine stack_files_setup\n\n USE UTILIO_DEFN\n USE STK_PRMS\n USE stack_group_data_module\n USE HGRD_DEFN, only : XORIG_GD, YORIG_GD, XCELL_GD, YCELL_GD\n\n INCLUDE SUBST_FILES_ID ! file name parameters\n\n Character( 40 ), parameter :: pname = 'stack_files_setup'\n\n Character( 32 ) :: fname\n CHARACTER( 120 ) :: XMSG = ' '\n integer :: n, v, pt, max_nsrc_pts, max_nvars, begin, end, stat, delta\n integer, allocatable :: d_size(:), pt_size(:),\n & stk_gp_sdate(:), stk_gp_stime(:),\n & stk_gp_nlays(:)\n\n integer :: ldate, ltime, t\n logical :: found, done\n\n allocate (cio_stack_file_name(NPTGRPS), \n & n_cio_stack_emis_vars(NPTGRPS), \n & n_cio_stack_emis_lays(NPTGRPS), \n & n_cio_stack_emis_pts(NPTGRPS),\n & STKGNAME(NPTGRPS),\n & d_size(NPTGRPS),\n & pt_size(NPTGRPS),\n & stk_gp_sdate(NPTGRPS),\n & stk_gp_stime(NPTGRPS),\n & stk_gp_nlays(NPTGRPS),\n & FIRE_ON(NPTGRPS),\n & NSRC(NPTGRPS),\n & stat=stat)\n if (stat .ne. 0) then\n xmsg = 'Failure allocating cio_stack_file_name and other arrays'\n call m3exit (pname, 0, 0, xmsg, xstat1 )\n end if\n\n FIRE_ON = .FALSE. ! array assignment\n! go through all stack group one time to figure out max number of source points\n STKGNAME = ' ' ! array\n DO N = 1, NPTGRPS\n WRITE( STKGNAME( N ),'( \"STK_GRPS_\",I3.3 )' ) N\n END DO\n\n do N = 1, NPTGRPS\n IF ( .NOT. OPEN3( STKGNAME( N ), FSREAD3, PNAME ) ) THEN\n XMSG = 'Could not open '// TRIM( STKGNAME( N ) ) // ' file'\n call m3exit (pname, cio_model_sdate, cio_model_stime, xmsg, xstat1 )\n END IF\n n_opened_file = n_opened_file + 1\n\n IF ( .NOT. DESC3( STKGNAME( N ) ) ) THEN\n XMSG = 'Could not get ' // TRIM( STKGNAME( N ) ) // ' file description'\n call m3exit (pname, cio_model_sdate, cio_model_stime, xmsg, xstat1 )\n END IF\n\n stk_gp_sdate(n) = sdate3d\n stk_gp_stime(n) = stime3d\n stk_gp_nlays(n) = nlays3d\n\n NSRC( N ) = NROWS3D\n\n DO V = 1, NVARS3D\n IF ( VNAME3D( V ) .EQ. 'ACRESBURNED' ) FIRE_ON( N ) = .TRUE.\n END DO\n end do\n max_nsrc_pts = maxval(NSRC)\n\n allocate (xloca(max_nsrc_pts, NPTGRPS),\n & yloca(max_nsrc_pts, NPTGRPS),\n & stkid(max_nsrc_pts, NPTGRPS),\n & f_stk_emis(NPTGRPS),\n & stat = stat)\n if (stat .ne. 0) then\n xmsg = 'Failure allocating other stack group variable arrays'\n call m3exit (pname, cio_model_sdate, cio_model_stime, xmsg, xstat1 )\n end if\n\n! read in stack group data\n\n do N = 1, NPTGRPS\n IF ( .NOT. READ3( STKGNAME( N ), 'XLOCA', ALLAYS3,\n & stk_gp_sdate(n), stk_gp_stime(n), XLOCA(:,N) ) ) THEN\n XMSG = 'Could not read XLOCA from ' // TRIM( STKGNAME( N))\n call m3exit (pname, stk_gp_sdate(n), stk_gp_stime(n), xmsg, xstat1 )\n END IF\n\n IF ( .NOT. READ3( STKGNAME( N ), 'YLOCA', ALLAYS3,\n & stk_gp_sdate(n), stk_gp_stime(n), YLOCA(:,N) ) ) THEN\n XMSG = 'Could not read YLOCA from ' // TRIM( STKGNAME( N))\n call m3exit (pname, stk_gp_sdate(n), stk_gp_stime(n), xmsg, xstat1 )\n END IF\n\n IF ( .NOT. READ3( STKGNAME( N ), 'ISTACK', ALLAYS3,\n & stk_gp_sdate(n), stk_gp_stime(n), STKID(:,N) ) ) THEN\n XMSG = 'Could not read ISTACK from ' // TRIM( STKGNAME( N) )\n call m3exit (pname, stk_gp_sdate(n), stk_gp_stime(n), xmsg, xstat1 )\n END IF\n end do\n\n IF ( .NOT. STK_PRMS_INIT( STKGNAME ) ) THEN\n xmsg = 'Could not initialize stack parameters'\n call m3exit( 'Stack Files Setup', 0, 0, xmsg, 2 )\n END IF\n\n do N = 1, NPTGRPS\n\n IF ( MY_NSRC( N ) .GT. 0 ) THEN\n\n IF ( .NOT. XTRACT3( STKGNAME( N ), 'STKDM', 1, stk_gp_nlays(n),\n & MY_STRT_SRC( N ), MY_END_SRC( N ),\n & 1, 1, stk_gp_sdate(n), stk_gp_stime(n), STKDIAM( N )%ARRY) ) THEN\n XMSG = 'Could not read STKDM from ' // TRIM( STKGNAME( N ) )\n call m3exit (pname, stk_gp_sdate(n), stk_gp_stime(n), xmsg, xstat1 )\n END IF\n\n IF ( .NOT. XTRACT3( STKGNAME( N ), 'STKHT', 1, stk_gp_nlays(n),\n & MY_STRT_SRC( N ), MY_END_SRC( N ),\n & 1, 1, stk_gp_sdate(n), stk_gp_stime(n), STKHT( N )%ARRY) ) THEN\n XMSG = 'Could not read STKHT from ' // TRIM( STKGNAME( N ) )\n call m3exit (pname, stk_gp_sdate(n), stk_gp_stime(n), xmsg, xstat1 )\n END IF\n\n IF ( .NOT. XTRACT3( STKGNAME( N ), 'STKTK', 1, stk_gp_nlays(n),\n & MY_STRT_SRC( N ), MY_END_SRC( N ),\n & 1, 1, stk_gp_sdate(n), stk_gp_stime(n), STKTK( N )%ARRY) ) THEN\n XMSG = 'Could not read STKTK from ' // TRIM( STKGNAME( N ) )\n call m3exit (pname, stk_gp_sdate(n), stk_gp_stime(n), xmsg, xstat1 )\n END IF\n\n IF ( .NOT. XTRACT3( STKGNAME( N ), 'STKVE', 1, stk_gp_nlays(n),\n & MY_STRT_SRC( N ), MY_END_SRC( N ),\n & 1, 1, stk_gp_sdate(n), stk_gp_stime(n), STKVEL( N )%ARRY) ) THEN\n XMSG = 'Could not read STKVE from ' // TRIM( STKGNAME( N ) )\n call m3exit (pname, stk_gp_sdate(n), stk_gp_stime(n), xmsg, xstat1 )\n END IF\n\n IF ( FIRE_ON( N ) ) THEN\n IF ( .NOT. XTRACT3( STKGNAME( N ), 'ACRESBURNED', 1, stk_gp_nlays(n),\n & MY_STRT_SRC( N ), MY_END_SRC( N ),\n & 1, 1, stk_gp_sdate(n), stk_gp_stime(n), ACRES_BURNED( N )%ARRY) ) THEN\n XMSG = 'Could not read ACRESBURNED from ' // TRIM( STKGNAME( N ) )\n call m3exit (pname, stk_gp_sdate(n), stk_gp_stime(n), xmsg, xstat1 )\n END IF\n END IF\n\n END IF\n\n end do\n\n! process stack emission files\n max_nvars = 0\n d_size = 0\n do pt = 1, NPTGRPS\n WRITE( cio_stack_file_name(pt), '( \"STK_EMIS_\",I3.3 )' ) pt\n\n IF ( .NOT. OPEN3( cio_stack_file_name( pt ), FSREAD3, PNAME ) ) THEN\n XMSG = 'Could not open '// TRIM( cio_stack_file_name( pt ) ) // ' file'\n CALL M3MESG( XMSG )\n END IF\n n_opened_file = n_opened_file + 1\n f_stk_emis(pt) = n_opened_file\n\n IF ( .NOT. DESC3( cio_stack_file_name( pt ) ) ) THEN\n XMSG = 'Could not get ' // TRIM( cio_stack_file_name( pt ) ) // ' file description'\n CALL M3MESG( XMSG )\n END IF\n\n n_cio_stack_emis_vars(pt) = nvars3d\n n_cio_stack_emis_lays(pt) = nlays3d\n n_cio_stack_emis_pts(pt) = nrows3d\n\n file_sdate(f_stk_emis(pt)) = sdate3d\n file_stime(f_stk_emis(pt)) = stime3d\n file_tstep(f_stk_emis(pt)) = tstep3d\n file_xcell(f_stk_emis(pt)) = xcell3d\n file_ycell(f_stk_emis(pt)) = ycell3d\n\n! Check whether file is a representative day type\n write (fname, '(a16, i3.3)') \"STK_EM_SYM_DATE_\", pt \n file_sym_date(f_stk_emis(pt)) = emis_sym_date ! Master switch to change default \n call get_env(file_sym_date(f_stk_emis(pt)), fname, \n & file_sym_date(f_stk_emis(pt)), logdev) \n\n found = .false.\n ldate = sdate3d\n ltime = stime3d\n if ((ldate == stdate) .and. (mxrec3d > 1)) then\n found = .true.\n else\n t = 1\n do while ((t < mxrec3d) .and. (.not. found))\n call nextime (ldate, ltime, tstep3d)\n if (ldate == stdate) then\n found = .true.\n end if\n t = t + 1\n end do\n end if\n\n if (max_nvars .lt. nvars3d) then\n max_nvars = nvars3d\n end if\n if (MY_STRT_SRC(pt) .gt. 0) then\n pt_size(pt) = (MY_END_SRC(pt) - MY_STRT_SRC(pt) + 1) * n_cio_stack_emis_lays(pt)\n d_size(pt) = nvars3d * pt_size(pt) * 3\n else\n pt_size(pt) = 0\n d_size(pt) = 0\n end if\n\n end do\n\n allocate (cio_stack_var_name(max_nvars, NPTGRPS), \n & head_stack_emis(max_nvars, NPTGRPS), \n & tail_stack_emis(max_nvars, NPTGRPS), \n & cio_stack_emis_data_inx(2, 0:2, max_nvars, NPTGRPS), \n & cio_stack_emis_data_tstamp(2, 0:2, max_nvars, NPTGRPS), \n & cio_stack_data(sum(d_size)),\n & stat = stat)\n if (stat .ne. 0) then\n xmsg = 'Failure allocating other stack arrays'\n call m3exit (pname, 0, 0, xmsg, xstat1 )\n end if\n\n begin = 1\n cio_stack_emis_data_inx = -1\n do pt = 1, NPTGRPS\n IF ( .NOT. DESC3( cio_stack_file_name( pt ) ) ) THEN\n XMSG = 'Could not get ' // TRIM( cio_stack_file_name( pt ) ) // ' file description'\n CALL M3MESG( XMSG )\n END IF\n\n cio_stack_var_name(1:nvars3d, pt) = vname3d(1:nvars3d)\n call quicksort(cio_stack_var_name(:,pt), 1, nvars3d)\n\n if (MY_NSRC(pt) .gt. 0) then\n do v = 1, nvars3d\n do n = 0, 2\n cio_stack_emis_data_inx(1,n,v,pt) = begin\n end = begin + pt_size(pt) - 1\n cio_stack_emis_data_inx(2,n,v,pt) = end\n begin = end + 1\n end do\n end do\n end if\n end do\n\n deallocate (d_size)\n\n end subroutine stack_files_setup\n\n! -------------------------------------------------------------------------\n subroutine biogemis_setup\n\n USE UTILIO_DEFN\n use HGRD_DEFN, only : ncols, nrows\n USE biog_emis_param_module\n\n INCLUDE SUBST_FILES_ID ! file name parameters\n\n Character( 40 ), parameter :: pname = 'biogemis_setup'\n\n CHARACTER( 120 ) :: XMSG = ' '\n CHARACTER( 256 ) :: MESG\n CHARACTER( 16 ) :: VAR\n INTEGER :: STAT, i, j, k\n integer :: startcol, endcol, startrow, endrow, gxoff, gyoff\n\n ALLOCATE( AVGEMIS( NCOLS,NROWS,NSEF-1,NSEASONS ),\n & STAT=STAT )\n\n IF ( .NOT. OPEN3( biogemis_fname, FSREAD3, PNAME ) ) THEN\n XMSG = 'Could not open ' // trim(biogemis_fname) // ' file'\n CALL M3MESG( XMSG )\n END IF\n n_opened_file = n_opened_file + 1\n\n IF ( .NOT. DESC3( biogemis_fname ) ) THEN\n XMSG = 'Could not get ' // trim(biogemis_fname) // ' file description'\n CALL M3MESG( XMSG )\n END IF\n\n call subhfile ( biogemis_fname, gxoff, gyoff,\n & startcol, endcol, startrow, endrow )\n\nC Read the various categories of normalized emissions\n DO I = 1, NSEASONS\n\n DO J = 1, NSEF-1\n VAR = 'AVG_' // TRIM( BIOTYPES( J ) ) // SEASON( I )\n\n IF ( .NOT. XTRACT3( biogemis_fname, VAR,\n & 1,1, startrow, endrow, startcol, endcol,\n & 0, 0, AVGEMIS( :,:,J,I ) ) ) THEN\n MESG = 'Could not read \"' // TRIM( VAR ) //\n & '\" from file \"' // TRIM( biogemis_fname ) // '\"'\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT2 )\n END IF\n END DO\n\n END DO ! end loop over seasons\n\n end subroutine biogemis_setup\n\n! -------------------------------------------------------------------------\n subroutine beis_norm_emis_setup\n\n USE UTILIO_DEFN\n use HGRD_DEFN, only : ncols, nrows\n\n Character( 40 ), parameter :: pname = 'beis_norm_emis_setup'\n Character( 40 ), parameter :: fname = 'BEIS_NORM_EMIS'\n\n CHARACTER( 256 ) :: MESG\n CHARACTER( 16 ) :: VAR\n INTEGER :: STAT\n integer :: startcol, endcol, startrow, endrow, gxoff, gyoff\n\n ALLOCATE( GROWAGNO( NCOLS,NROWS ),\n & NGROWAGNO( NCOLS,NROWS ),\n & NONAGNO( NCOLS,NROWS ),\n & STAT=STAT )\n\n IF ( .NOT. OPEN3( fname, FSREAD3, PNAME ) ) THEN\n MESG = 'Could not open ' // trim(fname) // ' file '\n CALL M3MESG( MESG )\n END IF\n n_opened_file = n_opened_file + 1\n\n call subhfile ( fname, gxoff, gyoff,\n & startcol, endcol, startrow, endrow )\n\n VAR = 'AVG_NOAG_GROW'\n IF ( .NOT. XTRACT3( fname, VAR,\n & 1,1, startrow, endrow, startcol, endcol,\n & 0, 0, GROWAGNO ) ) THEN\n MESG = 'Could not read \"' // TRIM( VAR ) //\n & '\" from file \"' // TRIM( fname ) // '\"'\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT2 )\n END IF\n\n VAR = 'AVG_NOAG_NONGROWNB3'\n IF ( .NOT. XTRACT3( fname, VAR,\n & 1,1, startrow, endrow, startcol, endcol,\n & 0, 0, NGROWAGNO ) ) THEN\n MESG = 'Could not read \"' // TRIM( VAR ) //\n & '\" from file \"' // TRIM( fname ) // '\"'\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT2 )\n END IF\n\n VAR = 'AVG_NONONAG'\n IF ( .NOT. XTRACT3( fname, VAR,\n & 1,1, startrow, endrow, startcol, endcol,\n & 0, 0, NONAGNO ) ) THEN\n MESG = 'Could not read \"' // TRIM( VAR ) //\n & '\" from file \"' // TRIM( fname ) // '\"'\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT2 )\n END IF\n\n end subroutine beis_norm_emis_setup\n\n! -------------------------------------------------------------------------\n subroutine depv_data_setup\n\n USE UTILIO_DEFN\n use HGRD_DEFN, only : ncols, nrows\n use depv_data_module\n! use util_module, only : index1\n\n INCLUDE SUBST_FILES_ID ! file name parameters\n\n Character( 40 ), parameter :: pname = 'depv_data_setup'\n\n CHARACTER( 256 ) :: MESG\n CHARACTER( 16 ) :: vname\n INTEGER :: STAT, i, j, k, jdate_yest\n integer :: startcol, endcol, startrow, endrow, gxoff, gyoff\n\n Allocate ( Beld_ag ( ncols, nrows, e2c_cats ),\n & pHs1 ( ncols, nrows, e2c_cats ), ! for E2C_SOIL file\n & pHs2 ( ncols, nrows, e2c_cats ), ! for E2C_SOIL file\n & NH4ps1 ( ncols, nrows, e2c_cats ), ! for E2C_CHEM file\n & NH4ps2 ( ncols, nrows, e2c_cats ), ! for E2C_CHEM file\n & STAT=STAT )\n\n IF ( .NOT. OPEN3( E2C_LU, FSREAD3, PNAME ) ) THEN\n mesg = 'Could not open ' // trim(E2C_LU) // ' file'\n CALL M3MESG( mesg )\n END IF\n n_opened_file = n_opened_file + 1\n\n call subhfile ( E2C_LU, gxoff, gyoff,\n & startcol, endcol, startrow, endrow )\n\n Do k = 1, e2c_cats\n vname = BELD_Names(k)\n IF ( .NOT. XTRACT3( E2C_LU, vname,\n & 1, 1, startrow, endrow, startcol, endcol,\n & 0, 0, Beld_ag( :,:,k ) ) ) Then\n MESG = 'Could not read \"' // TRIM( vname ) //\n & '\" from file \"' // TRIM( E2C_LU ) // '\"'\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT2 )\n End If\n End Do\n\n! for E2C_SOIL file\n If ( .Not. Open3( E2C_SOIL, fsread3, pname ) ) Then\n mesg = 'Could not open '// E2C_SOIL // ' file'\n Call M3exit ( pname, 0, 0, mesg, xstat1 )\n End If\n n_opened_file = n_opened_file + 1\n\n call subhfile ( E2C_SOIL, gxoff, gyoff,\n & startcol, endcol, startrow, endrow )\n\n vname = 'L1_PH'\n If ( .Not. Xtract3 ( E2C_SOIL, vname, 1, e2c_cats, startrow, endrow,\n & startcol, endcol, 0, 0, pHs1 ) ) Then\n MESG = 'Could not read \"' // TRIM( vname ) //\n & '\" from file \"' // TRIM( E2C_SOIL ) // '\"'\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT2 )\n End If\n\n vname = 'L2_PH'\n If ( .Not. Xtract3 ( E2C_SOIL, vname, 1, e2c_cats, startrow, endrow,\n & startcol, endcol, 0, 0, pHs2 ) ) Then\n MESG = 'Could not read \"' // TRIM( vname ) //\n & '\" from file \"' // TRIM( E2C_SOIL ) // '\"'\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT2 )\n End If\n\n#ifdef m3dry_opt\n Allocate ( por1 ( ncols, nrows, e2c_cats ),\n & por2 ( ncols, nrows, e2c_cats ),\n & wp1 ( ncols, nrows, e2c_cats ),\n & wp2 ( ncols, nrows, e2c_cats ),\n & cec1 ( ncols, nrows, e2c_cats ),\n & cec2 ( ncols, nrows, e2c_cats ),\n & STAT=STAT )\n\n vname = 'L1_Porosity'\n If ( .Not. Xtract3 ( E2C_SOIL, vname, 1, e2c_cats, startrow, endrow,\n & startcol, endcol, 0, 0, por1 ) ) Then\n MESG = 'Could not read \"' // TRIM( vname ) //\n & '\" from file \"' // TRIM( E2C_SOIL ) // '\"'\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT2 )\n End If\n\n vname = 'L2_Porosity'\n If ( .Not. Xtract3 ( E2C_SOIL, vname, 1, e2c_cats, startrow, endrow,\n & startcol, endcol, 0, 0, por2 ) ) Then\n MESG = 'Could not read \"' // TRIM( vname ) //\n & '\" from file \"' // TRIM( E2C_SOIL ) // '\"'\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT2 )\n End If\n\n vname = 'L1_Wilt_P'\n If ( .Not. Xtract3 ( E2C_SOIL, vname, 1, e2c_cats, startrow, endrow,\n & startcol, endcol, 0, 0, wp1 ) ) Then\n MESG = 'Could not read \"' // TRIM( vname ) //\n & '\" from file \"' // TRIM( E2C_SOIL ) // '\"'\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT2 )\n End If\n\n vname = 'L2_Wilt_P'\n If ( .Not. Xtract3 ( E2C_SOIL, vname, 1, e2c_cats, startrow, endrow,\n & startcol, endcol, 0, 0, wp2 ) ) Then\n MESG = 'Could not read \"' // TRIM( vname ) //\n & '\" from file \"' // TRIM( E2C_SOIL ) // '\"'\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT2 )\n End If\n\n vname = 'L1_Cation'\n If ( .Not. Xtract3 ( E2C_SOIL, vname, 1, e2c_cats, startrow, endrow,\n & startcol, endcol, 0, 0, cec1 ) ) Then\n MESG = 'Could not read \"' // TRIM( vname ) //\n & '\" from file \"' // TRIM( E2C_SOIL ) // '\"'\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT2 )\n End If\n \n vname = 'L2_Cation'\n If ( .Not. Xtract3 ( E2C_SOIL, vname, 1, e2c_cats, startrow, endrow,\n & startcol, endcol, 0, 0, cec2 ) ) Then\n MESG = 'Could not read \"' // TRIM( vname ) //\n & '\" from file \"' // TRIM( E2C_SOIL ) // '\"'\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT2 )\n End If\n#endif\n \n! for E2C_CHEM file\n If ( .Not. Open3( E2C_CHEM, fsread3, pname ) ) Then\n mesg = 'Could not open '// E2C_CHEM // ' file'\n Call M3exit ( pname, 0, 0, mesg, xstat1 )\n End If\n n_opened_file = n_opened_file + 1\n\n IF ( .NOT. DESC3( E2C_CHEM ) ) THEN\n MESG = 'Could not get description of file \"' //\n & TRIM( E2C_CHEM ) // '\"'\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT2 )\n END IF\n\n call subhfile ( E2C_CHEM, gxoff, gyoff,\n & startcol, endcol, startrow, endrow )\n\n GMN_AVAIL = .false.\n if (index1 ('GMN', nvars3d, vname3d) .gt. 0) then\n GMN_AVAIL = .true. \n end if\n\n vname = 'L1_NH3'\n If ( .Not. Xtract3 (E2C_CHEM, vname, 1, e2c_cats, startrow, endrow,\n & startcol, endcol, cio_model_sdate, 0, NH4ps1) ) Then\n MESG = 'Could not read \"' // TRIM( vname ) //\n & '\" from file \"' // TRIM( E2C_CHEM ) // '\"'\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT2 )\n End If\n\n vname = 'L2_NH3'\n If ( .Not. Xtract3 (E2C_CHEM, vname, 1, e2c_cats, startrow, endrow,\n & startcol, endcol, cio_model_sdate, 0, NH4ps2) ) Then\n MESG = 'Could not read \"' // TRIM( vname ) //\n & '\" from file \"' // TRIM( E2C_CHEM ) // '\"'\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT2 )\n End If\n\n#ifdef m3dry_opt\n\n Allocate ( wep1 ( ncols, nrows, e2c_cats ),\n & wep2 ( ncols, nrows, e2c_cats ),\n & dep2 ( ncols, nrows, e2c_cats ),\n & STAT=STAT )\n\n vname = 'L1_SW'\n If ( .Not. Xtract3 (E2C_CHEM, vname, 1, e2c_cats, startrow, endrow,\n & startcol, endcol, cio_model_sdate, 0, wep1)) Then\n MESG = 'Could not read \"' // TRIM( vname ) //\n & '\" from file \"' // TRIM( E2C_CHEM ) // '\"'\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT2 )\n End If\n\n vname = 'L2_SW'\n If ( .Not. Xtract3 (E2C_CHEM, vname, 1, e2c_cats, startrow, endrow,\n & startcol, endcol, cio_model_sdate, 0, wep2)) Then\n MESG = 'Could not read \"' // TRIM( vname ) //\n & '\" from file \"' // TRIM( E2C_CHEM ) // '\"'\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT2 )\n End If\n\n vname = 'L2_DEP'\n If ( .Not. Xtract3 (E2C_CHEM, vname, 1, e2c_cats, startrow, endrow,\n & startcol, endcol, cio_model_sdate, 0, dep2)) Then\n MESG = 'Could not read \"' // TRIM( vname ) //\n & '\" from file \"' // TRIM( E2C_CHEM ) // '\"'\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT2 )\n End If\n#else\n#ifdef stage_opt\n Allocate( Nit1 ( ncols,nrows,e2c_cats ),\n & Nit2 ( ncols,nrows,e2c_cats ),\n & L1_ON ( ncols,nrows,e2c_cats ),\n & L2_ON ( ncols,nrows,e2c_cats ),\n & BDc1 ( ncols,nrows,e2c_cats ),\n & BDc2 ( ncols,nrows,e2c_cats ),\n & STAT=STAT )\n\n vname = 'L1_NITR'\n If ( .Not. Xtract3 (E2C_CHEM, vname, 1, e2c_cats, startrow, endrow,\n & startcol, endcol, cio_model_sdate, 0, Nit1 ) ) Then\n Write( mesg,9001 ) vname, E2C_CHEM\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT2 )\n End If\n\n vname = 'L2_NITR'\n If ( .Not. Xtract3 (E2C_CHEM, vname, 1, e2c_cats, startrow, endrow,\n & startcol, endcol, cio_model_sdate, 0, Nit2 ) ) Then\n Write( mesg,9001 ) vname, E2C_CHEM\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT2 )\n End If\n\n vname = 'L1_ON'\n If ( .Not. Xtract3 (E2C_CHEM, vname, 1, e2c_cats, startrow, endrow,\n & startcol, endcol, cio_model_sdate, 0, L1_ON ) ) Then\n Write( mesg,9001 ) vname, E2C_CHEM\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT2 )\n End If\n\n vname = 'L2_ON'\n If ( .Not. Xtract3 (E2C_CHEM, vname, 1, e2c_cats, startrow, endrow,\n & startcol, endcol, cio_model_sdate, 0, L2_ON ) ) Then\n Write( mesg,9001 ) vname, E2C_CHEM\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT2 )\n End If\n\n vname = 'L1_BD'\n If ( .Not. Xtract3 (E2C_CHEM, vname, 1, e2c_cats, startrow, endrow,\n & startcol, endcol, cio_model_sdate, 0, BDc1 ) ) Then\n Write( mesg,9001 ) vname, E2C_CHEM\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT2 )\n End If\n\n vname = 'L2_BD'\n If ( .Not. Xtract3 (E2C_CHEM, vname, 1, e2c_cats, startrow, endrow,\n & startcol, endcol, cio_model_sdate, 0, BDc2 ) ) Then\n Write( mesg,9001 ) vname, E2C_CHEM\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT2 )\n End If\n\n If ( GMN_AVAIL ) Then ! Using Fest-C 1.4 output\n Allocate( GMN ( ncols,nrows,e2c_cats ), STAT = STAT )\n If ( STAT .Ne. 0 ) Then\n mesg = 'Failure allocating GMN'\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT2 )\n End If\n\n vname = 'GMN'\n If ( .Not. Xtract3 (E2C_CHEM, vname, 1, e2c_cats, startrow, endrow,\n & startcol, endcol, cio_model_sdate, 0, GMN ) ) Then\n Write( mesg,9001 ) vname, E2C_CHEM\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT2 )\n End If\n\n End If\n\n Allocate( gamma1 ( ncols,nrows ),\n & gamma2 ( ncols,nrows ),\n & F1_NH4 ( ncols,nrows,e2c_cats ),\n & F2_NH4 ( ncols,nrows,e2c_cats ),\n & STAT=STAT )\n\n if ( MEDC_AVAIL ) then\n call subhfile ( INIT_MEDC_1, gxoff, gyoff,\n & startcol, endcol, startrow, endrow )\n\n vname = 'Gamma1'\n If ( .Not. Xtract3 ( INIT_MEDC_1, vname, 1, 1, startrow, endrow,\n & startcol, endcol, cio_model_sdate, 0, gamma1 ) ) Then\n Write( mesg,9001 ) vname, INIT_MEDC_1\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT2 )\n End If\n\n vname = 'Gamma2'\n If ( .Not. Xtract3 ( INIT_MEDC_1, vname, 1, 1, startrow, endrow,\n & startcol, endcol, cio_model_sdate, 0, gamma2 ) ) Then\n Write( mesg,9001 ) vname, INIT_MEDC_1\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT2 )\n End If\n\n vname = 'L1_ANH3'\n If ( .Not. Xtract3 ( E2C_CHEM, vname, 1, e2c_cats, startrow, endrow,\n & startcol, endcol, cio_model_sdate, 0, F1_NH4 ) ) Then\n Write( mesg,9001 ) vname, E2C_CHEM\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT2 )\n End If\n\n vname = 'L2_ANH3'\n If ( .Not. Xtract3 ( E2C_CHEM, vname, 1, e2c_cats, startrow, endrow,\n & startcol, endcol, cio_model_sdate, 0, F2_NH4 ) ) Then\n Write( mesg,9001 ) vname, E2C_CHEM\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT2 )\n End If\n\n If( .not. GMN_AVAIL ) Then\n\n Allocate( L1_ON_Yest ( ncols,nrows,e2c_cats ),\n & L2_ON_Yest ( ncols,nrows,e2c_cats ),\n & F1_ON ( ncols,nrows,e2c_cats ),\n & F2_ON ( ncols,nrows,e2c_cats ),\n & STAT = STAT )\n If ( STAT .Ne. 0 ) Then\n mesg = 'Failure allocating organic N vars'\n Call M3EXIT( PNAME, 0, 0, mesg, XSTAT1 )\n End If\n\n If( MOD(cio_model_sdate,1000) .Eq. 1 ) Then\n If( MOD(cio_model_sdate,4000) .Eq. 0 .And. \n & MOD(cio_model_sdate,100000) .Ne. 0 ) Then\n jdate_yest = (INT(cio_model_sdate/1000)-1)*1000+366\n Else If( MOD(cio_model_sdate,400000) .Eq. 0) Then\n jdate_yest = (INT(cio_model_sdate/1000)-1)*1000+366\n Else ! not a leap year\n jdate_yest = (INT(cio_model_sdate/1000)-1)*1000+365\n End If\n Else\n jdate_yest = cio_model_sdate-1\n End If\n\n If ( .Not. Open3( E2C_CHEM_YEST, fsread3, pname ) ) Then\n mesg = 'Could not open '// E2C_CHEM_YEST // ' file'\n Call M3exit ( pname, 0, 0, mesg, xstat1 )\n End If\n n_opened_file = n_opened_file + 1\n\n IF ( .NOT. DESC3( E2C_CHEM_YEST ) ) THEN\n MESG = 'Could not get description of file \"' //\n & TRIM( E2C_CHEM_YEST ) // '\"'\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT2 )\n END IF\n\n call subhfile ( E2C_CHEM, gxoff, gyoff,\n & startcol, endcol, startrow, endrow )\n\n vname = 'L1_AON'\n If ( .Not. Xtract3 (E2C_CHEM, vname, 1, e2c_cats, startrow, endrow,\n & startcol, endcol, cio_model_sdate, 0, F1_ON ) ) Then\n Write( mesg,9001 ) vname, E2C_CHEM\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT2 )\n End If\n\n vname = 'L2_AON'\n If ( .Not. Xtract3 (E2C_CHEM, vname, 1, e2c_cats, startrow, endrow,\n & startcol, endcol, cio_model_sdate, 0, F2_ON ) ) Then\n Write( mesg,9001 ) vname, E2C_CHEM\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT2 )\n End If\n\n call subhfile ( E2C_CHEM_YEST, gxoff, gyoff,\n & startcol, endcol, startrow, endrow )\n\n vname = 'L1_ON'\n If ( .Not. Xtract3 (E2C_CHEM_YEST, vname, 1, e2c_cats, startrow, endrow,\n & startcol, endcol, jdate_yest, 0, L1_ON_Yest ) ) Then\n Write( mesg,9001 ) vname, E2C_CHEM\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT2 )\n End If\n\n vname = 'L2_ON'\n If ( .Not. Xtract3 (E2C_CHEM_YEST, vname, 1, e2c_cats, startrow, endrow,\n & startcol, endcol, jdate_yest, 0, L2_ON_Yest ) ) Then\n Write( mesg,9001 ) vname, E2C_CHEM\n CALL M3EXIT( PNAME, 0, 0, MESG, XSTAT2 )\n End If\n end if ! .not. GMN_AVAIL\n end if ! MEDC_AVAIL\n\n9001 Format( 'Failure reading ', a, 1x, 'from ', a )\n\n#endif ! end if stage option\n#endif ! end if m3dry option\n\n end subroutine depv_data_setup\n\n! -------------------------------------------------------------------------\n subroutine medc_file_setup\n\n USE UTILIO_DEFN\n use bidi_mod\n\n INCLUDE SUBST_FILES_ID ! file name parameters\n\n Character( 40 ), parameter :: pname = 'medc_file_setup'\n\n CHARACTER( 256 ) :: xmsg\n integer :: v\n integer :: startcol, endcol, startrow, endrow, gxoff, gyoff\n\n CALL INIT_BIDI( )\n\n IF ( .NOT. OPEN3( INIT_MEDC_1, FSREAD3, PNAME ) ) THEN\n XMSG = 'Open failure for ' // INIT_MEDC_1\n Call M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n n_opened_file = n_opened_file + 1\n\n call subhfile ( INIT_MEDC_1, gxoff, gyoff,\n & startcol, endcol, startrow, endrow )\n\n DO v = 1, Hg_TOT\n IF ( .NOT. Xtract3( INIT_MEDC_1, MEDIA_NAMES( V ), 1, 1, \n & startrow, endrow, startcol, endcol,\n & cio_model_sdate, 0, CMEDIA(:,:,v) ) )THEN\n xmsg = 'Could not read ' // trim( MEDIA_NAMES( V ) )\n & // ' from ' // trim( INIT_MEDC_1 )\n call m3exit( pname, cio_model_sdate, 0, xmsg, xstat1 )\n END IF\n END DO\n\n end subroutine medc_file_setup\n\n! -------------------------------------------------------------------------\n subroutine retrieve_grid_cro_2d_data\n\n USE UTILIO_DEFN\n USE HGRD_DEFN\n USE LSM_Mod, ONLY: n_lufrac, init_lsm\n\n INCLUDE SUBST_FILES_ID ! file name parameters\n\n Character( 40 ), parameter :: pname = 'retrieve_grid_cro_2d_data'\n integer :: gxoff, gyoff, \n & STRTCOLGC2, ENDCOLGC2, STRTROWGC2, ENDROWGC2\n\n CHARACTER( 120 ) :: XMSG = ' '\n Character( 16 ) :: vname\n INTEGER :: STAT, L\n\n allocate (MSFX2(ncols, nrows), \n & LWMASK(ncols, nrows), \n & HT(ncols, nrows), \n & LAT(ncols, nrows),\n & LON(ncols, nrows), \n & PURB(ncols, nrows),\n & STAT=STAT)\n IF ( STAT .NE. 0 ) THEN\n XMSG = 'Failure allocating MSFX2 or other arrays'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT3 )\n END IF\n\n CALL SUBHFILE ( GRID_CRO_2D, GXOFF, GYOFF,\n & STRTCOLGC2, ENDCOLGC2, STRTROWGC2, ENDROWGC2 )\n\n#ifdef twoway\n IF ( .NOT. INTERPX( GRID_CRO_2D, 'MSFX2', PNAME,\n & STRTCOLGC2, ENDCOLGC2, STRTROWGC2, ENDROWGC2, 1, 1,\n & 0, 0, MSFX2 ) ) THEN\n XMSG = ' Error interpolating variable MSFX2 from ' // GRID_CRO_2D\n Call M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n\n IF ( .NOT. INTERPX( GRID_CRO_2D, 'LWMASK', PNAME,\n & STRTCOLGC2, ENDCOLGC2, STRTROWGC2, ENDROWGC2, 1, 1, \n & 0, 0, LWMASK ) ) THEN\n XMSG = ' Error interpolating variable LWMASK from ' // GRID_CRO_2D\n Call M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n\n IF ( .NOT. INTERPX( GRID_CRO_2D, 'HT', PNAME,\n & STRTCOLGC2, ENDCOLGC2, STRTROWGC2, ENDROWGC2, 1, 1 ,\n & 0, 0, HT ) ) THEN\n XMSG = ' Error interpolating variable HT from ' // GRID_CRO_2D\n Call M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n\n IF ( .NOT. INTERPX( GRID_CRO_2D, 'LAT', PNAME, \n & STRTCOLGC2, ENDCOLGC2, STRTROWGC2, ENDROWGC2, 1, 1 ,\n & 0, 0, LAT ) ) THEN\n XMSG = ' Error interpolating variable LAT from ' // GRID_CRO_2D\n Call M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n\n IF ( .NOT. INTERPX( GRID_CRO_2D, 'LON', PNAME,\n & STRTCOLGC2, ENDCOLGC2, STRTROWGC2, ENDROWGC2, 1, 1 ,\n & 0, 0, LON ) ) THEN\n XMSG = ' Error interpolating variable LON from ' // GRID_CRO_2D\n Call M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n\n if (minkz) then\n IF ( .NOT. INTERPX( GRID_CRO_2D, 'PURB', PNAME,\n & STRTCOLGC2, ENDCOLGC2, STRTROWGC2, ENDROWGC2, 1, 1 ,\n & 0, 0, PURB ) ) THEN\n XMSG = ' Error interpolating variable PURB from ' // GRID_CRO_2D\n Call M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n else\n purb = 0.0\n end if\n\n IF ( .NOT. LUCRO_AVAIL ) THEN\n\n CALL INIT_LSM( 0, 0 )\n\n allocate (LUFRAC(ncols, nrows, n_lufrac), STAT=STAT)\n IF ( STAT .NE. 0 ) THEN\n XMSG = 'Failure allocating LUFRAC array'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT3 )\n END IF\n\n DO l = 1, n_lufrac\n Write( vname,'( \"LUFRAC_\",I2.2 )' ) l\n IF ( .Not. INTERPX( GRID_CRO_2D, VNAME, PNAME,\n & STRTCOLGC2, ENDCOLGC2, STRTROWGC2, ENDROWGC2, 1, 1,\n & 0, 0, LUFRAC( :,:,l ) ) ) THEN\n XMSG = 'Error interpolating variable' // TRIM( VNAME ) // ' from ' // GRID_CRO_2D\n Call M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n END DO\n\n END IF\n\n#else\n IF ( .NOT. XTRACT3( GRID_CRO_2D, 'MSFX2',\n & 1, 1, STRTROWGC2, ENDROWGC2, STRTCOLGC2, ENDCOLGC2, \n & 0, 0, MSFX2 ) ) THEN\n XMSG = ' Error interpolating variable MSFX2 from ' // GRID_CRO_2D\n Call M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n\n IF ( .NOT. XTRACT3( GRID_CRO_2D, 'LWMASK',\n & 1, 1, STRTROWGC2, ENDROWGC2, STRTCOLGC2, ENDCOLGC2, \n & 0, 0, LWMASK ) ) THEN\n XMSG = ' Error interpolating variable LWMASK from ' // GRID_CRO_2D\n Call M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n\n IF ( .NOT. XTRACT3( GRID_CRO_2D, 'HT',\n & 1, 1, STRTROWGC2, ENDROWGC2, STRTCOLGC2, ENDCOLGC2, \n & 0, 0, HT ) ) THEN\n XMSG = ' Error interpolating variable HT from ' // GRID_CRO_2D\n Call M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n\n IF ( .NOT. XTRACT3( GRID_CRO_2D, 'LAT',\n & 1, 1, STRTROWGC2, ENDROWGC2, STRTCOLGC2, ENDCOLGC2, \n & 0, 0, LAT ) ) THEN\n XMSG = ' Error interpolating variable LAT from ' // GRID_CRO_2D\n Call M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n\n IF ( .NOT. XTRACT3( GRID_CRO_2D, 'LON',\n & 1, 1, STRTROWGC2, ENDROWGC2, STRTCOLGC2, ENDCOLGC2, \n & 0, 0, LON ) ) THEN\n XMSG = ' Error interpolating variable LON from ' // GRID_CRO_2D\n Call M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n\n if (minkz) then\n IF ( .NOT. XTRACT3( GRID_CRO_2D, 'PURB',\n & 1, 1, STRTROWGC2, ENDROWGC2, STRTCOLGC2, ENDCOLGC2, \n & 0, 0, PURB ) ) THEN\n XMSG = ' Error interpolating variable PURB from ' // GRID_CRO_2D\n Call M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n else\n purb = 0.0\n end if\n\n IF ( .NOT. LUCRO_AVAIL ) THEN\n\n CALL INIT_LSM( 0, 0 )\n\n allocate (LUFRAC(ncols, nrows, n_lufrac), STAT=STAT)\n IF ( STAT .NE. 0 ) THEN\n XMSG = 'Failure allocating LUFRAC array'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT3 )\n END IF\n\n DO l = 1, n_lufrac\n Write( vname,'( \"LUFRAC_\",I2.2 )' ) l\n IF ( .Not. XTRACT3( GRID_CRO_2D, VNAME,\n & 1, 1, STRTROWGC2, ENDROWGC2, STRTCOLGC2, ENDCOLGC2, \n & 0, 0, LUFRAC( :,:,l ) ) ) THEN\n XMSG = 'Error interpolating variable' // TRIM( VNAME ) // ' from ' // GRID_CRO_2D\n Call M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n END DO\n\n END IF\n#endif\n end subroutine retrieve_grid_cro_2d_data\n\n! -------------------------------------------------------------------------\n subroutine retrieve_grid_dot_2d_data\n\n USE UTILIO_DEFN\n USE HGRD_DEFN\n\n INCLUDE SUBST_FILES_ID ! file name parameters\n\n Character( 40 ), parameter :: pname = 'retrieve_grid_dot_2d_data'\n\n INTEGER :: STAT\n CHARACTER( 120 ) :: XMSG = ' '\n INTEGER :: gxoff, gyoff, \n & STRTCOLGD2, ENDCOLGD2, STRTROWGD2, ENDROWGD2\n\n ALLOCATE ( MSFD2( NCOLS+1, NROWS+1 ), STAT = STAT )\n IF ( STAT .NE. 0 ) THEN\n XMSG = 'Failure allocating MSFD2 array'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT3 )\n END IF\n\n CALL SUBHFILE ( GRID_DOT_2D, GXOFF, GYOFF,\n & STRTCOLGD2, ENDCOLGD2, STRTROWGD2, ENDROWGD2 )\n\n#ifdef twoway\n IF ( .NOT. INTERPX( GRID_DOT_2D, 'MSFD2', PNAME, \n & STRTCOLGD2, ENDCOLGD2, STRTROWGD2, ENDROWGD2, 1, 1,\n & 0, 0, MSFD2 ) ) THEN\n XMSG = 'Could not interpolate MSFD2 from ' // GRID_DOT_2D\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n#else\n IF ( .NOT. XTRACT3( GRID_DOT_2D, 'MSFD2',\n & 1, 1, STRTROWGD2, ENDROWGD2, STRTCOLGD2, ENDCOLGD2,\n & 0, 0, MSFD2 ) ) THEN\n XMSG = 'Could not interpolate MSFD2 from ' // GRID_DOT_2D\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n#endif\n\n end subroutine retrieve_grid_dot_2d_data\n\n! -------------------------------------------------------------------------\n subroutine retrieve_ocean_data\n\n USE RXNS_DATA, ONLY : MECHNAME\n USE UTILIO_DEFN\n USE HGRD_DEFN\n\n INCLUDE SUBST_FILES_ID ! file name parameters\n\n Character( 40 ), parameter :: pname = 'retrieve_ocean_data'\n integer :: startcol, endcol, startrow, endrow, gxoff, gyoff\n\n INTEGER :: STAT\n CHARACTER( 120 ) :: XMSG = ' '\n\n allocate (ocean(ncols, nrows), \n & szone(ncols, nrows), \n & chlr(ncols, nrows),\n & dmsl(ncols, nrows), \n & STAT=STAT)\n IF ( STAT .NE. 0 ) THEN\n XMSG = 'Failure allocating OPEN, SURF, CHLO, DMS array'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT3 )\n END IF\n\n IF ( .NOT. OCEAN_CHEM ) THEN\n\n WRITE( LOGDEV, '(/,5x,A,/,5x,A,/5x,A)' ), \n & 'CTM_OCEAN_CHEM set to FALSE. Open ocean and surf zone',\n & 'fractions will be set to 0. There will be no oceanic',\n & 'halogen-mediated loss of ozone, dms chemistry, or sea spray aerosol emissions.'\n ocean = 0.0\n szone = 0.0 \n dmsl = 0.0 \n chlr = 0.0\n\n If ( INDEX( MECHNAME, 'CB6R5M_AE7_AQ' ) .GT. 0 ) then\n XMSG = 'CTM_OCEAN_CHEM must be set to TRUE when using CB6R5M_AE7_AQ mechanism' \n Call M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n endif\n\n ELSEIF ( OCEAN_CHEM .AND. .NOT. USE_MARINE_GAS_EMISSION ) THEN\n\n IF ( .NOT. OPEN3( OCEAN_1, FSREAD3, PNAME ) ) THEN\n XMSG = 'Could not open ' // OCEAN_1\n Call M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n ELSE \n n_opened_file = n_opened_file + 1\n\n call subhfile ( OCEAN_1, gxoff, gyoff,\n & startcol, endcol, startrow, endrow )\n\n IF ( .NOT. XTRACT3( OCEAN_1, 'OPEN',\n & 1, 1, startrow, endrow, startcol, endcol,\n & 0, 0, ocean ) ) Then\n XMSG = 'Could not read OPEN from ' // OCEAN_1\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n\n IF ( .NOT. XTRACT3( OCEAN_1, 'SURF',\n & 1, 1, startrow, endrow, startcol, endcol,\n & 0, 0, szone ) ) Then\n XMSG = 'Could not interpolate SURF from ' // OCEAN_1\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n\n WHERE ( ocean .LT. 0.001 ) ocean = 0.0 ! ensure values are nonnegative and greater than 0.001\n WHERE ( szone .LT. 0.001 ) szone = 0.0 ! ensure values are nonnegative and greater than 0.001 \n\n dmsl = 0.0 \n chlr = 0.0\n \n ENDIF\n\n ELSEIF ( OCEAN_CHEM .AND. USE_MARINE_GAS_EMISSION ) THEN\n\n IF ( .NOT. OPEN3( OCEAN_1, FSREAD3, PNAME ) ) THEN\n XMSG = 'Could not open ' // OCEAN_1\n Call M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n ELSE \n n_opened_file = n_opened_file + 1\n\n call subhfile ( OCEAN_1, gxoff, gyoff,\n & startcol, endcol, startrow, endrow )\n\n IF ( .NOT. XTRACT3( OCEAN_1, 'OPEN',\n & 1, 1, startrow, endrow, startcol, endcol,\n & 0, 0, ocean ) ) Then\n XMSG = 'Could not read OPEN from ' // OCEAN_1\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n\n IF ( .NOT. XTRACT3( OCEAN_1, 'SURF',\n & 1, 1, startrow, endrow, startcol, endcol,\n & 0, 0, szone ) ) Then\n XMSG = 'Could not interpolate SURF from ' // OCEAN_1\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF \n\n WHERE ( ocean .LT. 0.001 ) ocean = 0.0 ! ensure values are nonnegative and greater than 0.001\n WHERE ( szone .LT. 0.001 ) szone = 0.0 ! ensure values are nonnegative and greater than 0.001 \n\n If ( INDEX( MECHNAME, 'CB6R5M_AE7_AQ' ) .GT. 0 ) then\n \n If ( .Not. XTRACT3( OCEAN_1, 'CHLO',\n & 1, 1, startrow, endrow, startcol, endcol,\n & 0, 0, chlr ) ) Then\n XMSG = 'Could not read CHLO from ' // OCEAN_1\n Call M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n End If\n\n If ( .Not. XTRACT3( OCEAN_1, 'DMS',\n & 1, 1, startrow, endrow, startcol, endcol,\n & 0, 0, dmsl ) ) Then\n XMSG = 'Could not read DMS from ' // OCEAN_1\n Call M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n End If\n\n ELSEIF ( INDEX( MECHNAME, 'CB6R5_AE7_AQ' ) .GT. 0 ) then\n\n chlr = 0.0\n \n If ( .Not. XTRACT3( OCEAN_1, 'DMS',\n & 1, 1, startrow, endrow, startcol, endcol,\n & 0, 0, dmsl ) ) Then\n XMSG = 'Could not read DMS from ' // OCEAN_1\n Call M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n End If\n\n END IF\n\n END IF\n END IF\n\n end subroutine retrieve_ocean_data\n\n! -------------------------------------------------------------------------\n subroutine retrieve_ltng_param_data \n\n USE UTILIO_DEFN\n USE HGRD_DEFN\n\n INCLUDE SUBST_FILES_ID ! file name parameters\n\n Character( 40 ), parameter :: pname = 'retrieve_ltng_param_data'\n Character( 40 ), parameter :: LTNGPARMS_FILE = 'LTNGPARMS_FILE'\n\n INTEGER :: STAT\n CHARACTER( 120 ) :: XMSG = ' '\n integer :: startcol, endcol, startrow, endrow, gxoff, gyoff\n\n allocate (OCEAN_MASK(ncols, nrows), \n & SLOPE(ncols, nrows), \n & INTERCEPT(ncols, nrows), \n & SLOPE_lg(ncols, nrows), \n & INTERCEPT_lg(ncols, nrows), \n & ICCG_SUM(ncols, nrows), \n & ICCG_WIN(ncols, nrows), \n & STAT=STAT)\n IF ( STAT .NE. 0 ) THEN\n XMSG = 'Failure allocating ltng parameter arrays'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT3 )\n END IF\n\n IF ( .NOT. OPEN3( LTNGPARMS_FILE, FSREAD3, PNAME ) ) THEN\n XMSG = 'Open failure for ' // LTNGPARMS_FILE\n Call M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n n_opened_file = n_opened_file + 1\n\n call subhfile ( LTNGPARMS_FILE, gxoff, gyoff,\n & startcol, endcol, startrow, endrow )\n\n IF ( .NOT. XTRACT3( LTNGPARMS_FILE, \"OCNMASK\", 1, 1,\n & startrow, endrow, startcol, endcol,\n & 0, 0, OCEAN_MASK ) ) Then\n XMSG = 'Could not interpolate OPEN from ' // LTNGPARMS_FILE\n Call M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n End If\n\n IF ( .NOT. XTRACT3( LTNGPARMS_FILE, \"SLOPE\", 1, 1,\n & startrow, endrow, startcol, endcol,\n & 0, 0, SLOPE ) ) Then\n XMSG = 'Could not interpolate OPEN from ' // LTNGPARMS_FILE\n Call M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n End If\n\n IF ( .NOT. XTRACT3( LTNGPARMS_FILE, \"INTERCEPT\", 1, 1,\n & startrow, endrow, startcol, endcol,\n & 0, 0, INTERCEPT ) ) Then\n XMSG = 'Could not interpolate OPEN from ' // LTNGPARMS_FILE\n Call M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n End If\n\n IF ( .NOT. XTRACT3( LTNGPARMS_FILE, \"SLOPE_lg\", 1, 1,\n & startrow, endrow, startcol, endcol,\n & 0, 0, SLOPE_lg ) ) Then\n XMSG = 'Could not interpolate OPEN from ' // LTNGPARMS_FILE\n Call M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n End If\n\n IF ( .NOT. XTRACT3( LTNGPARMS_FILE, \"INTERCEPT_lg\", 1, 1,\n & startrow, endrow, startcol, endcol,\n & 0, 0, INTERCEPT_lg ) ) Then\n XMSG = 'Could not interpolate OPEN from ' // LTNGPARMS_FILE\n Call M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n End If\n\n IF ( .NOT. XTRACT3( LTNGPARMS_FILE, \"ICCG_SUM\", 1, 1,\n & startrow, endrow, startcol, endcol,\n & 0, 0, ICCG_SUM ) ) Then\n XMSG = 'Could not interpolate OPEN from ' // LTNGPARMS_FILE\n Call M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n End If\n\n IF ( .NOT. XTRACT3( LTNGPARMS_FILE, \"ICCG_WIN\", 1, 1,\n & startrow, endrow, startcol, endcol,\n & 0, 0, ICCG_WIN ) ) Then\n XMSG = 'Could not interpolate OPEN from ' // LTNGPARMS_FILE\n Call M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n End If\n\n end subroutine retrieve_ltng_param_data\n\n! -------------------------------------------------------------------------\n subroutine retrieve_boundary_data (jdate, jtime, vname)\n\n USE UTILIO_DEFN\n USE HGRD_DEFN\n USE VGRD_DEFN, ONLY : NLAYS\n USE CGRID_SPCS\n\n INCLUDE SUBST_FILES_ID ! file name parameters\n\n integer, intent(in) :: jdate, jtime\n character (*), intent(in), optional :: vname\n\n Character( 40 ), parameter :: pname = 'retrieve_boundary_data'\n\n LOGICAL, SAVE :: firstime = .true.\n INTEGER :: STAT, i, j, begin, end, buf_loc, iterations,\n & iter, loc_jdate_met, loc_jdate, loc_jtime_met, \n & loc_jtime, v, beg_v, end_v\n\n CHARACTER( 120 ) :: XMSG = ' '\n\n if (firstime) then\n\n head_bndy = -1\n tail_bndy = -1\n\n end if ! firstime\n\n if (firstime) then\n iterations = 2\n else\n iterations = 1\n end if\n\n if (present(vname)) then\n beg_v = binary_search (vname, cio_bndy_var_name(:,1), n_cio_bndy_vars)\n end_v = beg_v\n else\n beg_v = 1\n end_v = n_cio_bndy_vars\n end if\n\n loc_jdate = jdate\n loc_jdate_met = jdate\n loc_jtime = jtime\n loc_jtime_met = jtime\n\n do iter = 1, iterations\n do v = beg_v, end_v\n buf_loc = mod((tail_bndy(v) + iter), 2)\n\n cio_bndy_data_tstamp(1, buf_loc, v) = loc_jdate\n if (cio_bndy_var_name(v,2) == 'mb') then\n cio_bndy_data_tstamp(2, buf_loc, v) = loc_jtime_met\n else\n cio_bndy_data_tstamp(2, buf_loc, v) = loc_jtime\n end if\n\n begin = cio_bndy_data_inx(1,buf_loc,v)\n end = cio_bndy_data_inx(2,buf_loc,v)\n\n if (cio_bndy_var_name(v,2) == 'mb') then\n#ifdef twoway\n cio_bndy_data(begin:end) = 0.0\n#else\n if (.not. read3 (MET_BDY_3D, cio_bndy_var_name(v,1), -1,\n & loc_jdate_met, loc_jtime_met, cio_bndy_data(begin:end) ) ) THEN\n XMSG = 'Could not read ' // MET_BDY_3D // ' file'\n CALL M3EXIT ( PNAME, loc_jdate_met, loc_jtime_met, XMSG, XSTAT1 )\n END IF\n#endif\n else if (cio_bndy_var_name(v,2) == 'bct') then\n\n if (.not. read3 (BCFILE, cio_bndy_var_name(v,1), -1,\n & loc_jdate, loc_jtime, cio_bndy_data(begin:end) ) ) THEN\n XMSG = 'Could not read ' // BCFILE // ' file'\n CALL M3EXIT ( PNAME, loc_jdate, loc_jtime, XMSG, XSTAT1 )\n END IF\n\n else if (cio_bndy_var_name(v,2) == 'bc') then\n\n if (iter == 1) then\n if (.not. read3 (BCFILE, cio_bndy_var_name(v,1), -1,\n & loc_jdate, loc_jtime, cio_bndy_data(begin:end) ) ) THEN\n XMSG = 'Could not read ' // BCFILE // ' file'\n CALL M3EXIT ( PNAME, loc_jdate, loc_jtime, XMSG, XSTAT1 )\n END IF\n else\n cio_bndy_data_tstamp(1, buf_loc, v) = jdate + 999 ! this will ensure future never falls out of the circular buffer\n end if\n\n else\n call m3exit( 'Centralized I/O',0,0,' ==d== UNKOWNi Type of File',1 )\n end if\n\n end do\n\n CALL NEXTIME ( loc_jdate_met, loc_jtime_met, file_tstep(f_met))\n CALL NEXTIME ( loc_jdate, loc_jtime, file_tstep(f_bcon))\n\n end do ! end iter\n\n if (firstime) then\n firstime = .false.\n head_bndy = 0\n tail_bndy = 1\n else\n do v = beg_v, end_v\n head_bndy(v) = mod(head_bndy(v)+1, 2)\n tail_bndy(v) = mod(tail_bndy(v)+1, 2)\n end do\n end if\n\n end subroutine retrieve_boundary_data\n\n! -------------------------------------------------------------------------\n subroutine retrieve_stack_data (jdate, jtime, fname, vname)\n\n USE UTILIO_DEFN\n USE STK_PRMS, only : MY_STRT_SRC, MY_END_SRC\n\n INCLUDE SUBST_FILES_ID ! file name parameters\n\n integer, intent(in) :: jdate, jtime\n character (*), intent(in), optional :: fname, vname\n\n Character( 40 ), parameter :: pname = 'retrieve_stack_data'\n\n LOGICAL, SAVE :: firstime = .true.\n INTEGER :: STAT, i, j, begin, end, buf_loc, iterations,\n & iter, loc_jdate, loc_jtime, v, beg_v, end_v, \n & beg_pt, end_pt, pt, fnum\n\n CHARACTER( 120 ) :: XMSG = ' '\n\n if (firstime) then\n\n head_stack_emis = -1\n tail_stack_emis = -1\n\n iterations = 2\n else\n iterations = 1\n end if\n\n if (present(vname)) then\n beg_pt = binary_search (fname, cio_stack_file_name, NPTGRPS)\n end_pt = beg_pt\n beg_v = binary_search (vname, cio_stack_var_name(:,beg_pt), n_cio_stack_emis_vars(beg_pt))\n end_v = beg_v\n else\n beg_pt = 1\n end_pt = NPTGRPS\n end if\n\n do pt = beg_pt, end_pt\n\n if (firstime) then\n loc_jdate = jdate\n if (file_sym_date(f_stk_emis(pt))) loc_jdate = file_sdate(f_stk_emis(pt)) ! Representative day check\n loc_jtime = jtime\n else\n loc_jdate = jdate\n loc_jtime = jtime\n end if\n\n if (.not. present(vname)) then\n beg_v = 1\n end_v = n_cio_stack_emis_vars(pt)\n end if\n\n! cio_stack_emis_data_inx\n\n do iter = 1, iterations\n\n do v = beg_v, end_v\n buf_loc = mod((tail_stack_emis(v, pt) + iter), 2)\n\n cio_stack_emis_data_tstamp(1, buf_loc, v, pt) = loc_jdate\n cio_stack_emis_data_tstamp(2, buf_loc, v, pt) = loc_jtime\n\n begin = cio_stack_emis_data_inx(1, buf_loc, v, pt)\n end = cio_stack_emis_data_inx(2, buf_loc, v, pt)\n\n if (begin .gt. 0) then\n IF ( .NOT. XTRACT3( cio_stack_file_name(pt), cio_stack_var_name(v, pt), \n & 1,1, MY_STRT_SRC( pt ),MY_END_SRC( pt), 1,1,\n & loc_jdate, loc_jtime, cio_stack_data(begin:end) ) ) THEN\n XMSG = 'Could not extract ' // cio_stack_file_name(pt) // ' file'\n CALL M3EXIT ( PNAME, loc_jdate, loc_jtime, XMSG, XSTAT1 )\n END IF\n end if\n end do\n\n CALL NEXTIME ( loc_jdate, loc_jtime, file_tstep(f_stk_emis(pt)) )\n end do ! end iter\n end do\n\n if (firstime) then\n firstime = .false.\n head_stack_emis = 0\n tail_stack_emis = 1\n else\n do pt = beg_pt, end_pt\n do v = beg_v, end_v\n head_stack_emis(v, pt) = mod(head_stack_emis(v, pt)+1, 2)\n tail_stack_emis(v, pt) = mod(tail_stack_emis(v, pt)+1, 2)\n end do\n end do\n end if\n\n end subroutine retrieve_stack_data\n\n! -------------------------------------------------------------------------\n subroutine r_interpolate_var_1ds (fname, vname, date, time, data)\n\n! Function: Interpolation for Stack Group Real 1-D Data\n\n USE UTILIO_DEFN\n USE STK_PRMS, only : MY_STRT_SRC, MY_END_SRC\n\n character (*), intent(in) :: fname, vname\n integer, intent(in) :: date, time\n real, intent(out) :: data(:)\n\n integer :: head_beg_ind, head_end_ind,\n & tail_beg_ind, tail_end_ind,\n & store_beg_ind, store_end_ind,\n & var_loc, loc_head, loc_tail, m, r, c,\n & loc_jdate, loc_jtime, dsize, pt, loc_tstep\n integer, save :: prev_time = -1\n integer, save :: prev_head_time = -1\n integer, save :: prev_tail_time = -1\n integer, save :: lcount = 0\n real, save :: ratio1, ratio2\n character(200) :: xmsg\n\n pt = binary_search (fname, cio_stack_file_name, NPTGRPS)\n\n var_loc = binary_search (vname, cio_stack_var_name(:,pt), n_cio_stack_emis_vars(pt))\n\n if (var_loc .lt. 0) then\n write (cio_logdev, '(a9, a, a33)') 'Warning: ', trim(vname), ' is not available in a stack file.'\n write (xmsg, '(A9,A,A,A)' ) 'ERROR: ',trim(vname), ' is not available ',\n & 'on a Stack Emisison file. Simulation will now terminate.'\n call m3exit ( 'Centralized I/O Module', date, time, xmsg, 1 )\n else\n dsize = MY_END_SRC( pt ) - MY_STRT_SRC( pt ) + 1\n\n loc_tstep = file_tstep(f_stk_emis(pt)) \n\n loc_head = head_stack_emis(var_loc, pt)\n loc_tail = tail_stack_emis(var_loc, pt)\n\n if ((cio_stack_emis_data_tstamp(1, loc_tail, var_loc, pt) .eq. date) .and.\n & (cio_stack_emis_data_tstamp(2, loc_tail, var_loc, pt) .eq. time)) then\n ! do nothing since it is an exact date time data exist\n else\n if ((cio_stack_emis_data_tstamp(1, loc_tail, var_loc, pt) .lt. date) .or.\n & ((cio_stack_emis_data_tstamp(1, loc_tail, var_loc, pt) .eq. date) .and.\n & (cio_stack_emis_data_tstamp(2, loc_tail, var_loc, pt) .eq. 0)) .or.\n & ((cio_stack_emis_data_tstamp(2, loc_tail, var_loc, pt) .lt. time) .and.\n & (cio_stack_emis_data_tstamp(1, loc_tail, var_loc, pt) .eq. date))) then\n\n loc_jdate = cio_stack_emis_data_tstamp(1, loc_tail, var_loc, pt)\n loc_jtime = cio_stack_emis_data_tstamp(2, loc_tail, var_loc, pt) \n CALL NEXTIME ( loc_jdate, loc_jtime, loc_tstep )\n call retrieve_stack_data (loc_jdate, loc_jtime, fname, vname)\n loc_head = head_stack_emis(var_loc, pt)\n loc_tail = tail_stack_emis(var_loc, pt)\n end if\n end if\n\n if ((cio_stack_emis_data_tstamp(1, 2, var_loc, pt) .eq. date) .and.\n & (cio_stack_emis_data_tstamp(2, 2, var_loc, pt) .eq. time)) then\n count = count + 1\n else\n\n cio_stack_emis_data_tstamp(1, 2, var_loc, pt) = date\n cio_stack_emis_data_tstamp(2, 2, var_loc, pt) = time\n\n if ((prev_time .ne. time) .or.\n & (prev_head_time .ne. cio_stack_emis_data_tstamp(2, loc_head, var_loc, pt)) .or.\n & (prev_tail_time .ne. cio_stack_emis_data_tstamp(2, loc_tail, var_loc, pt))) then\n\n if (cio_stack_emis_data_tstamp(1, loc_head, var_loc, pt) .eq. date) then\n ratio2 = real(time_diff(time, cio_stack_emis_data_tstamp(2, loc_head, var_loc, pt))) \n & / real(time2sec(loc_tstep))\n ratio1 = 1.0 - ratio2\n else\n ratio2 = real(time_diff(240000, cio_stack_emis_data_tstamp(2, loc_head, var_loc, pt))) \n & / real(time2sec(loc_tstep))\n ratio1 = 1.0 - ratio2\n end if\n prev_time = time\n prev_head_time = cio_stack_emis_data_tstamp(2, loc_head, var_loc, pt)\n prev_tail_time = cio_stack_emis_data_tstamp(2, loc_tail, var_loc, pt)\n \n#ifdef verbose_cio\n if ( (ratio1 .lt. 0) .or. (ratio2 .lt. 0) \n & .or. (ratio1 .gt. 1) .or. (ratio2 .gt. 1)) then\n write(logdev,'(5X,a,a)'),\n & 'ERROR: Incorrect Interpolation in 1-D Stack Interpolation for variable: ',\n & trim(vname)\n \n write(logdev,'(5X,a,i7,a,i6)'), \n & 'Requested TIME & DATE: ',date,':',time\n \n write(logdev,'(5X,a,i7,a,i6,a,i7,a,i6)'),\n & 'Interpolation Bounds ',cio_stack_emis_data_tstamp(1,0,var_loc,pt),\n & ':',cio_stack_emis_data_tstamp(2,0,var_loc,pt),' to ',\n & cio_stack_emis_data_tstamp(1,1,var_loc,pt),':',cio_stack_emis_data_tstamp(2,1,var_loc,pt)\n call m3exit( 'Centralized I/O',date,time,'',1 )\n write(logdev,'(5X,a)'),\n & 'ERROR: Program EXIT in subroutine r_interpolate_var_1ds in module centralized io'\n end if \n#endif\n else\n lcount = lcount + 1\n end if\n\n head_beg_ind = cio_stack_emis_data_inx(1,loc_head,var_loc, pt)\n head_end_ind = cio_stack_emis_data_inx(2,loc_head,var_loc, pt)\n tail_beg_ind = cio_stack_emis_data_inx(1,loc_tail,var_loc, pt)\n tail_end_ind = cio_stack_emis_data_inx(2,loc_tail,var_loc, pt)\n store_beg_ind = cio_stack_emis_data_inx(1,2,var_loc, pt)\n store_end_ind = cio_stack_emis_data_inx(2,2,var_loc, pt)\n\n cio_stack_data(store_beg_ind:store_end_ind) = cio_stack_data(head_beg_ind:head_end_ind) * ratio1\n & + cio_stack_data(tail_beg_ind:tail_end_ind) * ratio2\n\n end if\n \n store_beg_ind = cio_stack_emis_data_inx(1,2,var_loc, pt)\n\n data(1:dsize) = cio_stack_data(store_beg_ind:store_beg_ind+dsize-1)\n\n end if\n\n end subroutine r_interpolate_var_1ds\n\n! -------------------------------------------------------------------------\n subroutine r_interpolate_var_2d (vname, date, time, data,\n & scol, ecol, srow, erow, slay)\n\n! Function: Interpolation for generic Real 2-D Data\n\n USE UTILIO_DEFN\n use HGRD_DEFN, only : ncols, nrows\n USE VGRD_DEFN, ONLY : NLAYS\n\n character (*), intent(in) :: vname\n integer, intent(in) :: date, time\n real, intent(out) :: data(:,:)\n integer, intent(in), optional :: scol, ecol, srow, erow, slay\n\n integer :: head_beg_ind, head_end_ind,\n & tail_beg_ind, tail_end_ind,\n & store_beg_ind, store_end_ind,\n & var_loc, loc_head, loc_tail, m, r, c,\n & loc_jdate, loc_jtime, adj_lvl, adj1, adj2,\n & loc_size_spatial, loc_tstep, str_len, fnum\n integer, save :: prev_time = -1\n integer, save :: prev_head_time = -1\n integer, save :: prev_tail_time = -1\n integer, save :: lcount = 0\n real, save :: ratio1, ratio2\n character(200) :: xmsg\n\n var_loc = binary_search (vname, cio_grid_var_name(:,1), n_cio_grid_vars)\n if (var_loc .lt. 0) then\n write (xmsg, '(A9,A,A,A)' ) 'ERROR: ',trim(vname), ' is not available ',\n & 'on any 2D file. Simulation will now terminate.'\n call m3exit ( 'Centralized I/O Module', date, time, xmsg, 1 )\n else\n loc_head = head_grid(var_loc)\n loc_tail = tail_grid(var_loc)\n\n if (cio_grid_var_name(var_loc,3) == 'm') then\n loc_tstep = file_tstep(f_met) \n else if ((cio_grid_var_name(var_loc,2) == 'e2d') .or.\n & (cio_grid_var_name(var_loc,2) == 'e3d')) then\n\n str_len = len_trim(cio_grid_var_name(var_loc,1))\n read (cio_grid_var_name(var_loc,1)(str_len-2:str_len), *) fnum\n\n loc_tstep = file_tstep(f_emis(fnum)) \n else if (cio_grid_var_name(var_loc,2) == 'lnt') then\n loc_tstep = file_tstep(f_ltng)\n else if (cio_grid_var_name(var_loc,2) == 'ic') then\n loc_tstep = file_tstep(f_icon)\n else if (cio_grid_var_name(var_loc,2) == 'bct') then\n loc_tstep = file_tstep(f_bcon)\n else if (cio_grid_var_name(var_loc,2) == 'is') then\n loc_tstep = file_tstep(f_is_icon)\n end if\n\n if (cio_grid_var_name(var_loc,2) .eq. 'md3') then\n loc_size_spatial = size_d2dx\n else\n loc_size_spatial = size_c3d / nlays\n end if\n\n if ((cio_grid_data_tstamp(1, loc_tail, var_loc) .lt. date) .or.\n & ((cio_grid_data_tstamp(2, loc_tail, var_loc) .lt. time) .and.\n & (cio_grid_data_tstamp(1, loc_tail, var_loc) .eq. date))) then\n\n loc_jdate = cio_grid_data_tstamp(1, loc_tail, var_loc)\n loc_jtime = cio_grid_data_tstamp(2, loc_tail, var_loc)\n\n CALL NEXTIME ( loc_jdate, loc_jtime, loc_tstep )\n\n call retrieve_time_dep_gridded_data (loc_jdate, loc_jtime, vname)\n loc_head = head_grid(var_loc)\n loc_tail = tail_grid(var_loc)\n end if\n\n if ((cio_grid_data_tstamp(1, 2, var_loc) .eq. date) .and.\n & (cio_grid_data_tstamp(2, 2, var_loc) .eq. time)) then\n count = count + 1\n else\n\n cio_grid_data_tstamp(1, 2, var_loc) = date\n cio_grid_data_tstamp(2, 2, var_loc) = time\n\n if ((prev_time .ne. time) .or.\n & (prev_head_time .ne. cio_grid_data_tstamp(2, loc_head, var_loc)) .or.\n & (prev_tail_time .ne. cio_grid_data_tstamp(2, loc_tail, var_loc))) then\n \n if (cio_grid_data_tstamp(1, loc_head, var_loc) .eq. date) then\n ratio2 = real(time_diff(time, cio_grid_data_tstamp(2, loc_head, var_loc))) \n & / real(time2sec(loc_tstep))\n ratio1 = 1.0 - ratio2\n else\n ratio2 = real(time_diff(240000, cio_grid_data_tstamp(2, loc_head, var_loc))) \n & / real(time2sec(loc_tstep))\n ratio1 = 1.0 - ratio2\n end if\n prev_time = time\n prev_head_time = cio_grid_data_tstamp(2, loc_head, var_loc)\n prev_tail_time = cio_grid_data_tstamp(2, loc_tail, var_loc)\n \n#ifdef verbose_cio\n if ( (ratio1 .lt. 0) .or. (ratio2 .lt. 0) \n & .or. (ratio1 .gt. 1) .or. (ratio2 .gt. 1)) then\n write(logdev,'(5X,a,a)'),\n & 'ERROR: Incorrect Interpolation in 2-D Generic Real Interpolation for variable: ', \n & trim(vname) \n\n write(logdev,'(5X,a,i7,a,i6)'), \n & 'Requested TIME & DATE: ',date,':',time\n \n write(logdev,'(5X,a,i7,a,i6,a,i7,a,i6)'),\n & 'Interpolation Bounds ',cio_grid_data_tstamp(1,0,var_loc),\n & ':',cio_grid_data_tstamp(2,0,var_loc),' to ',\n & cio_grid_data_tstamp(1,1,var_loc),':',cio_grid_data_tstamp(2,1,var_loc)\n\n write(logdev,'(5X,a)'),\n & 'ERROR: Program EXIT in subroutine r_interpolate_var_2d in module centralized io'\n \n call m3exit( 'Centralized I/O',date,time,'',1 )\n end if \n#endif\n else\n lcount = lcount + 1\n end if\n\n head_beg_ind = cio_grid_data_inx(1,loc_head,var_loc)\n head_end_ind = cio_grid_data_inx(2,loc_head,var_loc)\n tail_beg_ind = cio_grid_data_inx(1,loc_tail,var_loc)\n tail_end_ind = cio_grid_data_inx(2,loc_tail,var_loc)\n store_beg_ind = cio_grid_data_inx(1,2,var_loc)\n store_end_ind = cio_grid_data_inx(2,2,var_loc)\n\n cio_grid_data(store_beg_ind:store_end_ind) = cio_grid_data(head_beg_ind:head_end_ind) * ratio1\n & + cio_grid_data(tail_beg_ind:tail_end_ind) * ratio2\n end if\n \n adj_lvl = 0\n adj1 = 0\n adj2 = 0\n if (present(slay)) then\n if (cio_grid_var_name(var_loc,2) .eq. 'mc3') then\n if ((window) .and. \n & ((size(data,1) - ncols) .eq. 0)) then\n adj1 = ncols + 3\n adj2 = 2\n end if\n adj_lvl = (slay - 1) * loc_size_spatial\n else if (cio_grid_var_name(var_loc,2) .eq. 'md3') then\n adj_lvl = (slay - 1) * size_d2dx\n#ifndef twoway\n if (.not. east_pe) then\n adj2 = 1\n end if\n#endif\n end if\n else if (cio_grid_var_name(var_loc,2) .eq. 'mc2') then\n#ifndef twoway\n if (.not. east_pe) then\n adj2 = 1\n end if\n#endif\n end if\n\n store_beg_ind = cio_grid_data_inx(1,2,var_loc)\n m = store_beg_ind - 1 + adj_lvl + adj1\n\n do r = 1, size(data,2)\n do c = 1, size(data,1)\n m = m + 1\n data(c,r) = cio_grid_data(m)\n end do\n m = m + adj2\n end do\n end if\n\n end subroutine r_interpolate_var_2d\n\n! -------------------------------------------------------------------------\n subroutine i_interpolate_var_2d (vname, date, time, data)\n\n! Function: Interpolation for generic 4 byte Integer 2-D Data\n \n USE UTILIO_DEFN\n use HGRD_DEFN, only : ncols, nrows\n USE VGRD_DEFN, ONLY : NLAYS\n\n character (*), intent(in) :: vname\n integer, intent(in) :: date, time\n integer, intent(out) :: data(:,:)\n\n integer :: head_beg_ind, head_end_ind,\n & tail_beg_ind, tail_end_ind,\n & store_beg_ind, store_end_ind,\n & var_loc, loc_head, loc_tail, m, r, c,\n & loc_jdate, loc_jtime, adj_lvl, adj1, adj2,\n & loc_size_spatial, loc_tstep, str_len, fnum\n integer, save :: prev_time = -1\n integer, save :: prev_head_time = -1\n integer, save :: prev_tail_time = -1\n integer, save :: lcount = 0\n real, save :: ratio1, ratio2\n character(200) :: xmsg\n\n var_loc = binary_search (vname, cio_grid_var_name(:,1), n_cio_grid_vars)\n if (var_loc .lt. 0) then\n write (xmsg, '(A9,A,A,A)' ) 'ERROR: ',trim(vname), ' is not available ',\n & 'on any 2D file. Simulation will now terminate.'\n call m3exit ( 'Centralized I/O Module', date, time, xmsg, 1 )\n else\n loc_head = head_grid(var_loc)\n loc_tail = tail_grid(var_loc)\n\n if (cio_grid_var_name(var_loc,3) == 'm') then\n loc_tstep = file_tstep(f_met) \n else if ((cio_grid_var_name(var_loc,2) == 'e2d') .or.\n & (cio_grid_var_name(var_loc,2) == 'e3d')) then\n\n str_len = len_trim(cio_grid_var_name(var_loc,1))\n read (cio_grid_var_name(var_loc,1)(str_len-2:str_len), *) fnum\n\n loc_tstep = file_tstep(f_emis(fnum)) \n else if (cio_grid_var_name(var_loc,2) == 'lnt') then\n loc_tstep = file_tstep(f_ltng)\n else if (cio_grid_var_name(var_loc,2) == 'ic') then\n loc_tstep = file_tstep(f_icon)\n else if (cio_grid_var_name(var_loc,2) == 'bct') then\n loc_tstep = file_tstep(f_bcon)\n else if (cio_grid_var_name(var_loc,2) == 'is') then\n loc_tstep = file_tstep(f_is_icon)\n end if\n \n if (cio_grid_var_name(var_loc,2) .eq. 'md3') then\n loc_size_spatial = size_d2dx\n else\n loc_size_spatial = size_c3d / nlays\n end if\n\n if ((cio_grid_data_tstamp(1, loc_tail, var_loc) .lt. date) .or.\n & ((cio_grid_data_tstamp(2, loc_tail, var_loc) .lt. time) .and.\n & (cio_grid_data_tstamp(1, loc_tail, var_loc) .eq. date))) then\n\n loc_jdate = cio_grid_data_tstamp(1, loc_tail, var_loc)\n loc_jtime = cio_grid_data_tstamp(2, loc_tail, var_loc)\n CALL NEXTIME ( loc_jdate, loc_jtime, loc_tstep )\n call retrieve_time_dep_gridded_data (loc_jdate, loc_jtime, vname)\n loc_head = head_grid(var_loc)\n loc_tail = tail_grid(var_loc)\n end if\n\n if ((cio_grid_data_tstamp(1, 2, var_loc) .eq. date) .and.\n & (cio_grid_data_tstamp(2, 2, var_loc) .eq. time)) then\n count = count + 1\n else\n\n cio_grid_data_tstamp(1, 2, var_loc) = date\n cio_grid_data_tstamp(2, 2, var_loc) = time\n\n if ((prev_time .ne. time) .or.\n & (prev_head_time .ne. cio_grid_data_tstamp(2, loc_head, var_loc)) .or.\n & (prev_tail_time .ne. cio_grid_data_tstamp(2, loc_tail, var_loc))) then\n \n if (cio_grid_data_tstamp(1, loc_head, var_loc) .eq. date) then\n ratio2 = real(time_diff(time, cio_grid_data_tstamp(2, loc_head, var_loc))) \n & / real(time2sec(loc_tstep))\n ratio1 = 1.0 - ratio2\n else\n ratio2 = real(time_diff(240000, cio_grid_data_tstamp(2, loc_head, var_loc))) \n & / real(time2sec(loc_tstep))\n ratio1 = 1.0 - ratio2\n end if\n prev_time = time\n prev_head_time = cio_grid_data_tstamp(2, loc_head, var_loc)\n prev_tail_time = cio_grid_data_tstamp(2, loc_tail, var_loc) \n\n#ifdef verbose_cio\n if ( (ratio1 .lt. 0) .or. (ratio2 .lt. 0) \n & .or. (ratio1 .gt. 1) .or. (ratio2 .gt. 1)) then\n write(logdev,'(5X,a,a)'),\n & 'ERROR: Incorrect Interpolation in 2-D Generic Integer Interpolation for variable: ',\n & trim(vname) \n \n write(logdev,'(5X,a,i7,a,i6)'), \n & 'Requested TIME & DATE: ',date,':',time\n \n write(logdev,'(5X,a,i7,a,i6,a,i7,a,i6)'),\n & 'Interpolation Bounds ',cio_grid_data_tstamp(1,0,var_loc),\n & ':',cio_grid_data_tstamp(2,0,var_loc),' to ',\n & cio_grid_data_tstamp(1,1,var_loc),':',cio_grid_data_tstamp(2,1,var_loc)\n \n call m3exit( 'Centralized I/O',date,time,'',1 )\n write(logdev,'(5X,a)'),\n & 'ERROR: Program EXIT in subroutine i_interpolate_var_2d in module centralized io'\n \n end if \n#endif\n else\n lcount = lcount + 1\n end if\n\n head_beg_ind = cio_grid_data_inx(1,loc_head,var_loc)\n head_end_ind = cio_grid_data_inx(2,loc_head,var_loc)\n tail_beg_ind = cio_grid_data_inx(1,loc_tail,var_loc)\n tail_end_ind = cio_grid_data_inx(2,loc_tail,var_loc)\n store_beg_ind = cio_grid_data_inx(1,2,var_loc)\n store_end_ind = cio_grid_data_inx(2,2,var_loc)\n\n cio_grid_data(store_beg_ind:store_end_ind) = cio_grid_data(head_beg_ind:head_end_ind) * ratio1\n & + cio_grid_data(tail_beg_ind:tail_end_ind) * ratio2\n\n end if\n \n adj_lvl = 0\n adj1 = 0\n adj2 = 0\n\n store_beg_ind = cio_grid_data_inx(1,2,var_loc)\n m = store_beg_ind - 1 + adj_lvl + adj1\n\n do r = 1, size(data,2)\n do c = 1, size(data,1)\n m = m + 1\n data(c,r) = int(cio_grid_data(m))\n end do\n m = m + adj2\n end do\n end if\n\n end subroutine i_interpolate_var_2d\n\n! -------------------------------------------------------------------------\n subroutine r_interpolate_var_2db (vname, date, time, data, type, lvl)\n\n! Function: Interpolation for Boundary Real 2-D Data\n \n USE UTILIO_DEFN\n USE HGRD_DEFN\n USE VGRD_DEFN, ONLY : NLAYS\n\n character (*), intent(in) :: vname\n character (1), intent(in) :: type\n integer, intent(in) :: date, time\n real, intent(out) :: data(:,:)\n integer, intent(in), optional :: lvl\n\n integer :: head_beg_ind, head_end_ind,\n & tail_beg_ind, tail_end_ind,\n & store_beg_ind, store_end_ind,\n & var_loc, loc_head, loc_tail, m, r, c,k, ib,\n & loc_jdate, loc_jtime, starting_pt, mype_p1,\n & beg_k, end_k, loc_tstep\n integer, save :: lns_size, lew_size, gns_size, gew_size,\n & ls_start, ls_end, ln_start, ln_end,\n & le_start, le_end, lw_start, lw_end,\n & gs_skip, ge_skip, gn_skip, gw_skip\n logical, save :: loc_firstime = .true.\n integer, save :: prev_time = -1\n real :: ratio1, ratio2\n character(200) :: xmsg\n\n if (loc_firstime) then\n loc_firstime = .false.\n\n mype_p1 = mype + 1 \n LNS_SIZE = NTHIK * ( NCOLS + NTHIK )\n LEW_SIZE = NTHIK * ( NROWS + NTHIK )\n\n LS_START = 1\n LS_END = LNS_SIZE\n LE_START = LS_END + 1\n LE_END = LE_START + LEW_SIZE - 1\n LN_START = LE_END + 1\n LN_END = LN_START + LNS_SIZE - 1\n LW_START = LN_END + 1\n LW_END = LW_START + LEW_SIZE - 1\n\n GNS_SIZE = NTHIK * ( GL_NCOLS + NTHIK )\n GEW_SIZE = NTHIK * ( GL_NROWS + NTHIK )\n\n GS_SKIP = NTHIK*( COLSX_PE( 1, mype_p1 ) - 1 ) - LS_START + 1\n GE_SKIP = GNS_SIZE + NTHIK*( ROWSX_PE( 1, mype_p1 ) - 1 ) - LE_START + 1\n GN_SKIP = GNS_SIZE + GEW_SIZE + NTHIK*( COLSX_PE( 1, mype_p1 ) - 1 ) - LN_START + 1\n GW_SKIP = 2*GNS_SIZE + GEW_SIZE + NTHIK*( ROWSX_PE( 1, mype_p1 ) - 1 ) - LW_START + 1\n\n end if\n\n var_loc = binary_search (vname, cio_bndy_var_name(:,1), n_cio_bndy_vars)\n\n if (var_loc .lt. 0) then\n write (xmsg, '(A9,A,A,A)' ) 'ERROR: ',trim(vname), ' is not available ',\n & 'on any BNDY file. Simulation will now terminate.'\n call m3exit ( 'Centralized I/O Module', date, time, xmsg, 1 )\n else\n loc_head = head_bndy(var_loc)\n loc_tail = tail_bndy(var_loc)\n\n if (cio_bndy_var_name(var_loc,2) == 'mb') then\n loc_tstep = file_tstep(f_met)\n else\n loc_tstep = file_tstep(f_bcon)\n end if\n\n if (cio_bndy_var_name(var_loc, 2) .ne. 'bc') then\n if ((cio_bndy_data_tstamp(1, loc_tail, var_loc) .lt. date) .or.\n & ((cio_bndy_data_tstamp(2, loc_tail, var_loc) .lt. time) .and.\n & (cio_bndy_data_tstamp(1, loc_tail, var_loc) .eq. date))) then\n\n loc_jdate = cio_bndy_data_tstamp(1, loc_tail, var_loc)\n loc_jtime = cio_bndy_data_tstamp(2, loc_tail, var_loc)\n\n CALL NEXTIME ( loc_jdate, loc_jtime, loc_tstep )\n\n call retrieve_boundary_data (loc_jdate, loc_jtime, vname)\n\n loc_head = head_bndy(var_loc)\n loc_tail = tail_bndy(var_loc)\n end if\n end if\n\n if ((cio_bndy_data_tstamp(1, 2, var_loc) .eq. date) .and.\n & (cio_bndy_data_tstamp(2, 2, var_loc) .eq. time)) then\n count = count + 1\n else\n\n cio_bndy_data_tstamp(1, 2, var_loc) = date\n cio_bndy_data_tstamp(2, 2, var_loc) = time\n\n head_beg_ind = cio_bndy_data_inx(1,loc_head,var_loc)\n head_end_ind = cio_bndy_data_inx(2,loc_head,var_loc)\n tail_beg_ind = cio_bndy_data_inx(1,loc_tail,var_loc)\n tail_end_ind = cio_bndy_data_inx(2,loc_tail,var_loc)\n store_beg_ind = cio_bndy_data_inx(1,2,var_loc)\n store_end_ind = cio_bndy_data_inx(2,2,var_loc)\n\n if (cio_bndy_var_name(var_loc, 2) == 'bc') then\n cio_bndy_data(store_beg_ind:store_end_ind) = cio_bndy_data(head_beg_ind:head_end_ind)\n else\n if (cio_bndy_data_tstamp(1, loc_head, var_loc) .eq. date) then\n ratio2 = real(time_diff(time, cio_bndy_data_tstamp(2, loc_head, var_loc))) \n & / real(time2sec(loc_tstep))\n ratio1 = 1.0 - ratio2\n else\n ratio2 = real(time_diff(240000, cio_bndy_data_tstamp(2, loc_head, var_loc))) \n & / real(time2sec(loc_tstep))\n ratio1 = 1.0 - ratio2\n end if\n prev_time = time\n \n#ifdef verbose_cio\n if ( (ratio1 .lt. 0) .or. (ratio2 .lt. 0) \n & .or. (ratio1 .gt. 1) .or. (ratio2 .gt. 1)) then\n write(logdev,'(5X,a)'),\n & 'ERROR: Incorrect Interpolation in 2-D Boundary Interpolation for variable: ',\n & trim(vname) \n \n write(logdev,'(5X,a,i7,a,i6)'), \n & 'Requested TIME & DATE: ',date,':',time\n \n write(logdev,'(5X,a,i7,a,i6,a,i7,a,i6)'),\n & 'Interpolation Bounds ',cio_bndy_data_tstamp(1,0,var_loc),\n & ':',cio_bndy_data_tstamp(2,0,var_loc),' to ',\n & cio_bndy_data_tstamp(1,1,var_loc),':',cio_bndy_data_tstamp(2,1,var_loc)\n\n call m3exit( 'Centralized I/O',date,time,'',1 )\n\n write(logdev,'(5X,a)'),\n & 'ERROR: Program EXIT in subroutine r_interpolate_var_2db in module centralized io'\n \n end if \n#endif\n cio_bndy_data(store_beg_ind:store_end_ind) = cio_bndy_data(head_beg_ind:head_end_ind) * ratio1\n & + cio_bndy_data(tail_beg_ind:tail_end_ind) * ratio2\n\n end if\n\n end if\n\n if (present(lvl)) then\n beg_k = lvl\n end_k = lvl\n else\n beg_k = 1\n end_k = nlays\n end if\n\n data = 0.0\n store_beg_ind = cio_bndy_data_inx(1,2,var_loc)\n DO k = beg_k, end_k\n starting_pt = store_beg_ind + (k - 1) * size_b2d - 1\n! Construct SOUTH boundary\n IF ( SOUTH_PE ) THEN\n m = starting_pt + GS_SKIP\n DO IB = LS_START, LS_END\n data( IB,k ) = cio_bndy_data( m+IB )\n END DO\n END IF\n\n! Construct EAST boundary\n IF ( EAST_PE ) THEN\n m = starting_pt + GE_SKIP\n DO IB = LE_START, LE_END\n data( IB,k ) = cio_bndy_data( m+IB)\n END DO\n END IF\n\n! Construct NORTH boundary\n IF ( NORTH_PE ) THEN\n m = starting_pt + GN_SKIP\n DO IB = LN_START, LN_END\n data( IB,k ) = cio_bndy_data( m+IB)\n END DO\n END IF\n\n! Construct WEST boundary\n IF ( WEST_PE ) THEN\n m = starting_pt + GW_SKIP\n DO IB = LW_START, LW_END\n data( IB,k ) = cio_bndy_data( m+IB)\n END DO\n END IF\n END DO\n\n end if\n\n end subroutine r_interpolate_var_2db\n\n! -------------------------------------------------------------------------\n subroutine r_interpolate_var_3d (vname, date, time, data, fname)\n\n!Function: Interpolation for generic Real 3-D Data \n\n USE UTILIO_DEFN\n use HGRD_DEFN, only : ncols, nrows\n\n character (*), intent(in) :: vname\n integer, intent(in) :: date, time\n real, intent(out) :: data(:,:,:)\n character (*), intent(in), optional :: fname\n\n integer :: head_beg_ind, head_end_ind,\n & tail_beg_ind, tail_end_ind,\n & store_beg_ind, store_end_ind,\n & var_loc, loc_head, loc_tail, m, r, c, k,\n & loc_jdate, loc_jtime, beg_k, end_k, dot,\n & col_size, extra_c, extra_r, adj1, adj2, adj3,\n & slen, str_len, fnum, loc_tstep\n\n character (20) :: loc_vname\n integer, save :: prev_time = -1\n integer, save :: prev_head_time = -1\n integer, save :: prev_tail_time = -1\n integer, save :: lcount = 0\n real, save :: ratio1, ratio2\n character(200) :: xmsg\n\n if (present(fname)) then\n slen = len_trim(fname)\n loc_vname = trim(vname) // fname(slen-3:slen)\n else\n loc_vname = vname\n end if\n\n var_loc = binary_search (loc_vname, cio_grid_var_name(:,1), n_cio_grid_vars)\n if (var_loc .lt. 0) then\n write (xmsg, '(A9,A,A,A)' ) 'ERROR: ',trim(vname), ' is not available ',\n & 'on any 3D file. Simulation will now terminate.'\n call m3exit ( 'Centralized I/O Module', date, time, xmsg, 1 )\n else\n loc_head = head_grid(var_loc)\n loc_tail = tail_grid(var_loc)\n\n if (cio_grid_var_name(var_loc,3) == 'm') then\n loc_tstep = file_tstep(f_met) \n else if ((cio_grid_var_name(var_loc,2) == 'e2d') .or.\n & (cio_grid_var_name(var_loc,2) == 'e3d')) then\n\n str_len = len_trim(cio_grid_var_name(var_loc,1))\n read (cio_grid_var_name(var_loc,1)(str_len-2:str_len), *) fnum\n\n loc_tstep = file_tstep(f_emis(fnum)) \n else if (cio_grid_var_name(var_loc,2) == 'lnt') then\n loc_tstep = file_tstep(f_ltng)\n else if (cio_grid_var_name(var_loc,2) == 'ic') then\n loc_tstep = file_tstep(f_icon)\n else if (cio_grid_var_name(var_loc,2) == 'bct') then\n loc_tstep = file_tstep(f_bcon)\n else if (cio_grid_var_name(var_loc,2) == 'is') then\n loc_tstep = file_tstep(f_is_icon)\n end if\n\n if (cio_grid_var_name(var_loc,2) .ne. 'ic') then\n if ((cio_grid_data_tstamp(1, loc_tail, var_loc) .lt. date) .or.\n & ((cio_grid_data_tstamp(2, loc_tail, var_loc) .lt. time) .and.\n & (cio_grid_data_tstamp(1, loc_tail, var_loc) .eq. date))) then\n\n loc_jdate = cio_grid_data_tstamp(1, loc_tail, var_loc)\n loc_jtime = cio_grid_data_tstamp(2, loc_tail, var_loc)\n\n CALL NEXTIME ( loc_jdate, loc_jtime, loc_tstep )\n\n call retrieve_time_dep_gridded_data (loc_jdate, loc_jtime, loc_vname)\n loc_head = head_grid(var_loc)\n loc_tail = tail_grid(var_loc)\n end if\n end if\n\n if ((cio_grid_data_tstamp(1, 2, var_loc) .eq. date) .and.\n & (cio_grid_data_tstamp(2, 2, var_loc) .eq. time)) then\n count = count + 1\n else\n\n head_beg_ind = cio_grid_data_inx(1,loc_head,var_loc)\n head_end_ind = cio_grid_data_inx(2,loc_head,var_loc)\n tail_beg_ind = cio_grid_data_inx(1,loc_tail,var_loc)\n tail_end_ind = cio_grid_data_inx(2,loc_tail,var_loc)\n store_beg_ind = cio_grid_data_inx(1,2,var_loc)\n store_end_ind = cio_grid_data_inx(2,2,var_loc)\n\n if ((cio_grid_var_name(var_loc, 2) .eq. 'ic') .or.\n & (cio_grid_var_name(var_loc, 2) .eq. 'is')) then\n cio_grid_data(store_beg_ind:store_end_ind) = cio_grid_data(head_beg_ind:head_end_ind)\n else\n cio_grid_data_tstamp(1, 2, var_loc) = date\n cio_grid_data_tstamp(2, 2, var_loc) = time\n\n if ((prev_time .ne. time) .or.\n & (prev_head_time .ne. cio_grid_data_tstamp(2, loc_head, var_loc)) .or.\n & (prev_tail_time .ne. cio_grid_data_tstamp(2, loc_tail, var_loc))) then\n\n if (cio_grid_data_tstamp(1, loc_head, var_loc) .eq. date) then\n ratio2 = real(time_diff(time, cio_grid_data_tstamp(2, loc_head, var_loc))) \n & / real(time_to_sec(loc_tstep))\n ratio1 = 1.0 - ratio2\n else\n ratio2 = real(time_diff(240000, cio_grid_data_tstamp(2, loc_head, var_loc))) \n & / real(time_to_sec(loc_tstep))\n ratio1 = 1.0 - ratio2\n end if\n prev_time = time\n prev_head_time = cio_grid_data_tstamp(2, loc_head, var_loc)\n prev_tail_time = cio_grid_data_tstamp(2, loc_tail, var_loc)\n \n#ifdef verbose_cio\n if ( (ratio1 .lt. 0) .or. (ratio2 .lt. 0) \n & .or. (ratio1 .gt. 1) .or. (ratio2 .gt. 1)) then\n write(logdev,'(5X,a)'),\n & 'ERROR: Incorrect Interpolation in 3-D Generic Interpolation for variable: ',\n & trim(vname) \n \n write(logdev,'(5X,a,i7,a,i6)'), \n & 'Requested TIME & DATE: ',date,':',time\n \n write(logdev,'(5X,a,i7,a,i6,a,i7,a,i6)'),\n & 'Interpolation Bounds ',cio_grid_data_tstamp(1,0,var_loc),\n & ':',cio_grid_data_tstamp(2,0,var_loc),' to ',\n & cio_grid_data_tstamp(1,1,var_loc),':',cio_grid_data_tstamp(2,1,var_loc)\n\n call m3exit( 'Centralized I/O',date,time,'',1 )\n write(logdev,'(5X,a)'),\n & 'ERROR: Program EXIT in subroutine r_interpolate_var_3d in module centralized io'\n \n end if \n#endif\n else\n lcount = lcount + 1\n end if\n\n cio_grid_data(store_beg_ind:store_end_ind) = cio_grid_data(head_beg_ind:head_end_ind) * ratio1\n & + cio_grid_data(tail_beg_ind:tail_end_ind) * ratio2\n end if\n end if\n \n beg_k = 1\n if (cio_grid_var_name(var_loc, 2) .eq. 'e2d') then\n end_k = 1\n else\n end_k = size(data,3)\n end if\n\n adj1 = 0\n adj2 = 0\n adj3 = 0\n if (window) then\n if (((size(data,1) - ncols) .eq. 0) .and.\n & (cio_grid_var_name(var_loc, 2) .eq. 'mc3')) then\n adj1 = ncols + 3\n adj2 = 2\n adj3 = 2 * ncols + 4\n else if (cio_grid_var_name(var_loc, 2) .eq. 'md3') then\n adj1 = 0\n\n if (.not. east_pe) then\n adj2 = 1\n else\n adj2 = 0\n end if\n\n if (north_pe .and. east_pe) then\n adj3 = 0\n else if (north_pe) then\n adj3 = 1\n else if (east_pe) then\n adj3 = x_dot_ncols\n else\n adj3 = x_dot_ncols + 1\n end if\n#ifdef twoway\n adj2 = 0\n adj3 = 0\n#endif\n end if\n else\n extra_c = 0\n extra_r = 0\n\n if (cio_grid_var_name(var_loc, 2) .eq. 'md3') then\n extra_c = x_dot_ncols - size(data, 1)\n extra_r = x_dot_nrows - size(data, 2)\n col_size = dot_ncols\n dot = 1\n else\n extra_c = x_cro_ncols - size(data, 1)\n extra_r = x_cro_nrows - size(data, 2)\n col_size = cro_ncols\n dot = 0\n end if\n\n if ((cio_grid_var_name(var_loc, 2) .ne. 'e2d') .and.\n & (cio_grid_var_name(var_loc, 2) .ne. 'e3d') .and.\n & (cio_grid_var_name(var_loc, 2) .ne. 'ic') .and.\n & (cio_grid_var_name(var_loc, 2) .ne. 'is')) then\n adj2 = extra_c\n adj3 = extra_r * col_size + extra_c\n if (north_pe .and. east_pe) then\n adj3 = 0\n else if (north_pe) then\n adj3 = adj3 - 1\n end if\n end if\n\n end if\n\n store_beg_ind = cio_grid_data_inx(1,2,var_loc)\n m = store_beg_ind - 1 + adj1\n\n do k = beg_k, end_k\n do r = 1, size(data,2)\n do c = 1, size(data,1)\n m = m + 1\n data(c,r,k) = cio_grid_data(m)\n end do\n m = m + adj2\n end do\n if (window .and. (cio_grid_var_name(var_loc, 2) .eq. 'md3')) then\n m = m - adj2 + adj3\n else\n m = m + adj3\n end if\n end do\n end if\n\n end subroutine r_interpolate_var_3d\n#endif\n\n END MODULE CENTRALIZED_IO_MODULE\n\n" }, { "path": "CCTM/src/cio/centralized_io_util_module.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n!------------------------------------------------------------------------!\n! This module contains utility functions to support centralized I/O \n! implementation\n\n! Revision History:\n! 02/01/19, D. Wong: initial implementation\n! 04/23/19, D. Wong: added two new subroutines: leap_year and\n! julian_to_mpas_date_time\n! 08/01/19, D. Wong: modified code to work with two-way model\n! 11/20/19, F. Sidi: Modified time to sec to handle negative numbers\n! 03/05/20, D. Wong: Expanded CIO functionalities to MPAS as well\n! 07/07/20, D. Wong: Formulated a robust routine to compute JDATE1 - JDATE2\n! and JDATE + NDAYS\n! 01/12/21, D. Wong: Modified character declaration legnth from 20 to\n! * for intent(out) mpas_time_stamp in subroutine\n! julian_to_mpas_date_time and put in some error\n! checking for jdate\n!------------------------------------------------------------------------!\n\n module centralized_io_util_module\n\n implicit none\n\n interface time_diff\n module procedure time_diff_i,\n & time_diff_str\n end interface\n\n interface binary_search\n module procedure binary_search_char,\n & binary_search_int\n end interface\n\n interface quicksort\n module procedure quicksort_c1d,\n & quicksort_c2d\n end interface\n\n interface search\n module procedure search_c,\n & search_i\n end interface\n\n contains\n\n! ----------------------------------------------------------------------\n! this is for mpas extracting layer distribution information store in an emission file\n\n subroutine ext_layer_info (buf, layer, bot, top, factor)\n\n implicit none\n\n character (*), intent(in) :: buf\n integer, intent(out) :: bot(:), top(:), layer\n real, intent(out) :: factor(:)\n\n integer :: index(5), loc, str_len, n, start, t_lay\n logical :: zero\n\n zero = .true.\n str_len = len_trim(buf)\n start = 27\n do while (start .lt. str_len)\n loc = start\n n = 1\n index(1) = loc\n do while (n < 5)\n loc = loc + 1\n if (buf(loc:loc) == ',') then\n n = n + 1\n index(n) = loc\n else if (buf(loc:loc) == ';') then\n n = n + 1\n index(n) = loc - 1\n else if (loc == str_len) then\n n = n + 1\n index(n) = loc + 1\n end if\n end do\n\n start = loc + 1\n\n read (buf(index(1):index(2)-1), *) t_lay\n read (buf(index(2)+1:index(3)-1), *) bot(t_lay)\n read (buf(index(3)+1:index(4)-1), *) top(t_lay)\n read (buf(index(4)+1:index(5)), *) factor(t_lay)\n\n if (factor(t_lay) .gt. 0) then\n zero = .false.\n else if ((factor(t_lay) .eq. 0) .and. (.not. zero)) then\n start = str_len + 1\n end if \n\n end do\n\n layer = t_lay - 1 \n\n end subroutine ext_layer_info\n\n! ----------------------------------------------------------------------\n subroutine cal_distribution (bottom, top, atmo_height, factor, layer, \n & num_dist_layers, new_factor)\n\n implicit none\n\n integer, intent(in) :: bottom(:), top(:), layer\n real, intent(in) :: atmo_height(:), factor(:)\n integer, intent(out) :: num_dist_layers\n real, intent(out) :: new_factor(:)\n\n integer :: e_lay, a_lay, n_lay, state, stat, i, j, k, lvl\n real :: ratio, remaining, diff\n integer, allocatable :: distribution(:,:)\n real, allocatable :: distribution_factor(:,:)\n\n allocate (distribution(0:5, size(atmo_height)),\n & distribution_factor(5, size(atmo_height)),\n & stat=stat)\n\n distribution = 0\n distribution_factor = 0.0\n remaining = 0.0\n e_lay = 1\n a_lay = 1\n n_lay = 0\n remaining = 1.0\n ratio = 0.0\n if (top(1) < atmo_height(1)) then\n state = 0 ! considering distribution height < model height\n else\n state = 1 ! considering distribution height > model height\n end if\n\n do while (e_lay .le. layer)\n\n if (top(e_lay) < atmo_height(a_lay)) then\n\n n_lay = n_lay + 1 \n distribution(n_lay, a_lay) = e_lay\n if (state == 0) then\n remaining = 1.0\n end if\n distribution_factor(n_lay, a_lay) = remaining\n distribution(0, a_lay) = n_lay\n e_lay = e_lay + 1\n state = 0\n\n else\n\n if (state == 0) then\n diff = atmo_height(a_lay) - bottom(e_lay)\n ratio = diff / (top(e_lay) - bottom(e_lay))\n remaining = 1.0 - ratio\n else\n if (a_lay == 1) then\n ratio = atmo_height(1) / top(e_lay)\n remaining = 1.0 - ratio\n else\n diff = atmo_height(a_lay) - atmo_height(a_lay-1)\n ratio = diff / (top(e_lay) - bottom(e_lay))\n remaining = remaining - ratio\n end if\n end if\n n_lay = n_lay + 1 \n distribution(n_lay, a_lay) = e_lay\n distribution_factor(n_lay, a_lay) = ratio\n distribution(0, a_lay) = n_lay\n\n a_lay = a_lay + 1\n n_lay = 0\n state = 1\n end if \n\n end do\n\n if (remaining > 0.0) then\n distribution(n_lay, a_lay) = e_lay - 1\n distribution_factor(n_lay, a_lay) = remaining\n distribution(0, a_lay) = n_lay\n end if\n\n num_dist_layers = a_lay\n\n new_factor = 0.0\n do k = 1, a_lay\n do j = 1, distribution(0, k)\n lvl = distribution(j, k)\n new_factor(k) = new_factor(k) + distribution_factor(j, k) * factor(lvl)\n end do\n end do\n\n deallocate (distribution, distribution_factor)\n\n end subroutine cal_distribution\n\n! -------------------------------------------------------------------------\n recursive subroutine quicksort_c1d (name, begin, end)\n\n character (*), intent(out) :: name(:)\n integer, intent(in) :: begin, end\n\n integer :: i, j\n character (50) :: str1, str2\n logical :: done\n\n str1 = name( (begin + end) / 2 )\n i = begin\n j = end\n done = .false.\n do while (.not. done)\n do while (name(i) < str1)\n i = i + 1\n end do\n do while (str1 < name(j))\n j = j - 1\n end do\n if (i .ge. j) then\n done = .true.\n else\n str2 = name(i)\n name(i) = name(j)\n name(j) = str2\n i = i + 1\n j = j - 1\n end if\n end do\n if (begin < i-1) call quicksort(name, begin, i-1)\n if (j+1 < end) call quicksort(name, j+1, end)\n\n end subroutine quicksort_c1d\n\n! -------------------------------------------------------------------------\n recursive subroutine quicksort_c2d (name, begin, end)\n\n character (*), intent(out) :: name(:,:)\n integer, intent(in) :: begin, end\n\n integer :: i, j, dsize\n character (50) :: str1, str2(3)\n logical :: done\n\n dsize = size(name,2)\n str1 = name( (begin + end) / 2, 1 )\n i = begin\n j = end\n done = .false.\n do while (.not. done)\n do while (name(i,1) < str1)\n i = i + 1\n end do\n do while (str1 < name(j, 1))\n j = j - 1\n end do\n if (i .ge. j) then\n done = .true.\n else\n str2(1:dsize) = name(i,:) \n name(i,:) = name(j,:)\n name(j,:) = str2(1:dsize)\n i = i + 1\n j = j - 1\n end if\n end do\n if (begin < i-1) call quicksort(name, begin, i-1)\n if (j+1 < end) call quicksort(name, j+1, end)\n\n end subroutine quicksort_c2d\n\n! -------------------------------------------------------------------------\n function binary_search_char (name, list, n) result (loc)\n\n use RUNTIME_VARS\n\n character (*), intent(in) :: name, list(:)\n integer, intent(in) :: n\n integer :: loc\n\n logical :: found\n integer :: mid_loc, start_loc, end_loc\n\n start_loc = 1\n end_loc = n\n found = .false.\n do while ((start_loc .le. end_loc) .and. (.not. found))\n mid_loc = start_loc + (end_loc - start_loc) / 2\n if (name .lt. list(mid_loc)) then\n end_loc = mid_loc - 1\n else if (name .gt. list(mid_loc)) then\n start_loc = mid_loc + 1\n else\n found = .true.\n end if\n end do\n\n if (found) then\n loc = mid_loc\n else\n loc = -1\n end if\n\n end function binary_search_char\n\n! -------------------------------------------------------------------------\n function binary_search_int (name, list, n) result (loc)\n\n integer, intent(in) :: name, list(:)\n integer, intent(in) :: n\n integer :: loc\n\n logical :: found\n integer :: mid_loc, start_loc, end_loc\n\n start_loc = 1\n end_loc = n\n found = .false.\n do while ((start_loc .le. end_loc) .and. (.not. found))\n mid_loc = start_loc + (end_loc - start_loc) / 2\n if (name .lt. list(mid_loc)) then\n end_loc = mid_loc - 1\n else if (name .gt. list(mid_loc)) then\n start_loc = mid_loc + 1\n else\n found = .true.\n end if\n end do\n\n if (found) then\n loc = mid_loc\n else\n loc = -1\n end if\n\n end function binary_search_int\n\n! -------------------------------------------------------------------------\n function search_c (name, list, n) result (loc)\n\n character (*), intent(in) :: name, list(:)\n integer, intent(in) :: n\n integer :: loc\n\n logical :: found\n integer :: lloc\n\n lloc = 0\n found = .false.\n do while ((lloc .lt. n) .and. (.not. found))\n lloc = lloc + 1\n if (name .eq. list(lloc)) then\n found = .true.\n end if\n end do\n\n if (found) then\n loc = lloc\n else\n loc = -1\n end if\n\n end function search_c\n\n! -------------------------------------------------------------------------\n function search_i (data, list, n) result (loc)\n\n integer, intent(in) :: data, list(:)\n integer, intent(in) :: n\n integer :: loc\n\n logical :: found\n integer :: lloc\n\n lloc = 0\n found = .false.\n do while ((lloc .lt. n) .and. (.not. found))\n lloc = lloc + 1\n if (data .eq. list(lloc)) then\n found = .true.\n end if\n end do\n\n if (found) then\n loc = lloc\n else\n loc = -1\n end if\n\n end function search_i\n\n! -------------------------------------------------------------------------\n integer function time_to_sec (time)\n\n integer, intent(in) :: time ! in hhmmss format\n integer :: neg_time\n integer :: time_in_sec, hr, min, sec\n\n if (time .gt. 0) then\n hr = time / 10000\n min = mod(time/100, 100)\n sec = mod(time, 100)\n time_to_sec = hr * 3600 + min * 60 + sec\n else\n neg_time = abs(time)\n hr = neg_time / 10000\n min = mod(neg_time/100, 100)\n sec = mod(neg_time, 100)\n time_to_sec = -1*(hr * 3600 + min * 60 + sec)\n end if\n \n end function time_to_sec\n\n! -------------------------------------------------------------------------\n integer function time_diff_i (time1, time2)\n\n integer, intent(in) :: time1, time2 ! in hhmmss format\n\n time_diff_i = time_to_sec(time1) - time_to_sec(time2)\n\n end function time_diff_i\n\n! -------------------------------------------------------------------------\n integer function time_diff_str (time1, time2)\n\n character (64), intent(in) :: time1, time2 ! in yyyy-mm-dd_hh:mm:ss format\n\n integer :: hr1, min1, sec1, hr2, min2, sec2, hr, min, sec, diff, str_len\n\n! for current implementation, assume yyyy-mm-dd are the same\n\n str_len = len_trim(time1) \n read (time1(str_len-7:str_len), '(i2, 1x, i2, 1x, i2)') hr1, min1, sec1\n str_len = len_trim(time2) \n read (time2(str_len-7:str_len), '(i2, 1x, i2, 1x, i2)') hr2, min2, sec2\n \n diff = (hr1 - hr2) * 3600 + (min1 - min2) * 60 + (sec1 - sec2)\n\n hr = diff / 3600\n diff = diff - hr * 3600\n\n min = diff / 60\n\n sec = diff - min * 60 \n\n time_diff_str = hr * 10000 + min * 100 + sec\n\n end function time_diff_str\n\n! --------------------------------------------------------------------------------\n logical function leap_year (year)\n\n integer, intent(in) :: year\n\n logical :: temp_leap_year\n\n if (mod(year, 4) .ne. 0) then\n temp_leap_year = .false.\n else if (mod(year, 400) .eq. 0) then\n temp_leap_year = .true.\n else if (mod(year, 100) .eq. 0) then\n temp_leap_year = .false.\n else\n temp_leap_year = .true.\n endif\n\n leap_year = temp_leap_year\n\n end function leap_year\n\n! -------------------------------------------------------------------------\n subroutine julian_to_mpas_date_time (jdate, jtime, mpas_time_stamp)\n\n integer, intent(in) :: jdate, jtime\n character (*), intent(out) :: mpas_time_stamp\n\n integer, parameter :: num_days (12, 2) =\n & reshape ((/ 31, 59, 90, 120, 151, 181, 212, 243, 273, 304, 334, 365,\n & 31, 60, 91, 121, 152, 182, 213, 244, 274, 305, 335, 366 /), (/12, 2/))\n\n integer :: ind, t_date, i, year, month, day, hour, minute, sec\n logical :: found\n\n year = jdate / 1000\n t_date = mod(jdate, 1000)\n\n if (leap_year(year)) then\n if (t_date > 366) then\n write (6, *) ' Error: JDATE > 366 for a leap year', jdate\n stop\n end if\n ind = 2\n else\n if (t_date > 365) then\n write (6, *) ' Error: JDATE > 365 for a non leap year', jdate\n stop\n end if\n ind = 1\n end if\n\n found = .false.\n i = 12\n do while ((.not. found) .and. (i > 0))\n if (t_date > num_days(i, ind)) then\n found = .true.\n else\n i = i - 1\n end if\n end do\n\n month = i + 1\n if (i == 0) then\n day = t_date\n else\n day = t_date - num_days(i, ind)\n end if\n\n hour = jtime / 10000\n minute = mod(jtime, 10000) / 100\n sec = mod(jtime, 100)\n\n write (mpas_time_stamp, '(i4, 5(a1, i2.2))')\n $ year, '-', month, '-', day, '_', hour, ':', minute, ':', sec\n\n end subroutine julian_to_mpas_date_time\n\n! -------------------------------------------------------------------------\n subroutine mpas_date_time_to_julian (mpas_time_stamp, jdate, jtime)\n\n character (20), intent(in) :: mpas_time_stamp\n integer, intent(out) :: jdate, jtime\n\n integer, parameter :: num_days (12, 2) =\n & reshape ((/ 0, 31, 59, 90, 120, 151, 181, 212, 243, 273, 304, 334,\n & 0, 31, 60, 91, 121, 152, 182, 213, 244, 274, 305, 335 /), (/12, 2/))\n\n integer :: ind, year, month, day, hour, minute, sec\n\n read (mpas_time_stamp, '(i4, 5(1x, i2))') year, month, day, hour, minute, sec\n\n if (leap_year(year)) then\n ind = 2\n else\n ind = 1\n end if\n\n jdate = year * 1000 + num_days(month, ind) + day\n jtime = hour * 10000 + minute * 100 + sec\n\n end subroutine mpas_date_time_to_julian\n\n!--------------------------------------------------------------------------\n integer function next_day (jday)\n\n! This function determermins the next day for time interpolation \n implicit none\n\n integer, intent(in) :: jday\n integer year, day\n\n day = MOD(jday,1000)\n year = INT(jday/1000)\n\n If( day .LT. 365 ) Then\n next_day = jday+1\n Else\n If( MOD(year,4) .Eq. 0 .And. MOD(year,100) .Ne. 0 ) Then\n! Leap Year \n If( day .Eq. 365 ) Then\n next_day = jday + 1\n Else\n next_day = (INT(jday/1000)+1)*1000+1\n End If\n Else If(MOD(year,400) .Eq. 0 ) Then\n! also a leap year, e.g. 2000 but not 2100\n If( day .Eq. 365 ) Then\n next_day = jday + 1\n Else\n next_day = (INT(jday/1000)+1)*1000+1\n End If\n Else\n! not a leap year\n next_day = (INT(jday/1000)+1)*1000+1\n End If\n End If\n\n end function next_day\n\n end module centralized_io_util_module\n" }, { "path": "CCTM/src/cloud/acm_ae6/AQ_DATA.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n Module aq_data\n\nC Defines gas and aerosol surrogate data.\nC this module replace the AQ_PARAMS.EXT include file\nC\nC Revision History:\nC First version was coded in May 2010 by Steve Howard with\nC Prakash Bhave, Jeff Young, and Sergey Napelenok.\nC Feb 2011: Steve Howard, Shawn Roselle, Prakash Bhave, Bill Hutzell -\nC Mar 2011: Sergey Napelenok - AE6 update for Ca/Mg/K/Fe/Mn \nC indexing, density, variable names\nC Mar 2011: Shawn Roselle, replaced I/O API include files with UTILIO_DEFN\nC Sep 2011: B.Hutzell: adapted for mercury and HAP mechanisms\nC Jun 2012: J.Young: remove full character blank padding for GNU Fortran (GCC) 4.1.2\nC Oct 2014: B.Hutzell:forcing to skip mapping if aerosol species\nC index equals the values for H3OP species as for aerosol water\nC species \nC-----------------------------------------------------------------------\n Use aero_data, Only: n_aerolist, n_aerospc, conmin\n Use runtime_vars\n#ifdef mpas\n Use util_module, only : index1\n#endif\n\n Implicit None\n\n Integer, Parameter :: ngas = 15 ! number of gas-phase species for AQCHEM\n! Integer, Parameter :: naddaer = 7 ! number of additional aerosol surrogate species for AQCHEM\n Integer, Parameter :: naddaer = 2 ! number of additional aerosol surrogate species for AQCHEM\n Integer, Parameter :: nadd_tx = 6 ! number of surrogates for HAPS aerosol species for AQCHEM\n\n Integer, Parameter :: max_naer = n_aerolist + naddaer + nadd_tx ! max number aero surrogates\n\n Integer, Save :: naer ! number of aerosol surrogate species for AQCHEM\n Integer, Parameter :: nliqs = 64 ! number of liquid-phase species in AQCHEM\n Integer, Parameter :: nmodes = 3 ! number of aerosol modes\n Integer, Parameter :: mxsrg = 70 ! maximum number of species for surrogate\n\n integer, parameter :: akn = 1 ! number for Aitken mode\n Integer, Parameter :: acc = 2 ! number for Accumulation mode\n Integer, Parameter :: cor = 3 ! number for Coarse mode\n\nCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC\nC...Gas surrogates species \nCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC\n\n Type sur_gas_type\n Character( 16 ) :: name ! surrogate name\n Real :: backgnd ! background value\n End Type sur_gas_type\n\n Type ( sur_gas_type ), Parameter :: srggas( ngas ) = (/\nC Name Background\nC ---------- ----------\n & sur_gas_type( 'SO2 ', 0.0 ),\n & sur_gas_type( 'HNO3 ', 0.0 ),\n & sur_gas_type( 'N2O5 ', 0.0 ),\n & sur_gas_type( 'CO2 ', 340.0 ),\n & sur_gas_type( 'NH3 ', 0.0 ),\n & sur_gas_type( 'H2O2 ', 0.0 ),\n & sur_gas_type( 'O3 ', 0.0 ),\n & sur_gas_type( 'FOA ', 0.0 ),\n & sur_gas_type( 'MHP ', 0.0 ),\n & sur_gas_type( 'PAA ', 0.0 ),\n & sur_gas_type( 'H2SO4 ', 0.0 ),\n & sur_gas_type( 'HCL ', 0.0 ),\n & sur_gas_type( 'GLY ', 0.0 ),\n & sur_gas_type( 'MGLY ', 0.0 ),\n & sur_gas_type( 'HO ', 0.0 ) / )\n\nC...Required gas species\n Character( 16 ), Parameter, Private :: req_so2 = 'SO2'\n Character( 16 ), Parameter, Private :: req_hno3 = 'HNO3'\n Character( 16 ), Parameter, Private :: req_n2o5 = 'N2O5'\n Character( 16 ), Parameter, Private :: req_co2 = 'CO2'\n Character( 16 ), Parameter, Private :: req_nh3 = 'NH3'\n Character( 16 ), Parameter, Private :: req_h2o2 = 'H2O2'\n Character( 16 ), Parameter, Private :: req_o3 = 'O3'\n Character( 16 ), Parameter, Private :: req_foa = 'FOA'\n Character( 16 ), Parameter, Private :: req_mhp = 'MHP'\n Character( 16 ), Parameter, Private :: req_paa = 'PAA'\n Character( 16 ), Parameter, Private :: req_h2so4 = 'H2SO4'\n Character( 16 ), Parameter, Private :: req_hcl = 'HCL'\n Character( 16 ), Parameter, Private :: req_gly = 'GLY'\n Character( 16 ), Parameter, Private :: req_mgly = 'MGLY'\n Character( 16 ), Parameter, Private :: req_ho = 'HO'\n\nC...Pointers for the AQCHEM array GAS\n\n Integer :: lso2 ! Sulfur Dioxide\n Integer :: lhno3 ! Nitric Acid\n Integer :: ln2o5 ! Dinitrogen Pentoxide\n Integer :: lco2 ! Carbon Dioxide\n Integer :: lnh3 ! Ammonia\n Integer :: lh2o2 ! Hydrogen Peroxide\n Integer :: lo3 ! Ozone\n Integer :: lfoa ! Formic Acid\n Integer :: lmhp ! Methyl Hydrogen Peroxide\n Integer :: lpaa ! Peroxyacetic Acid\n Integer :: lh2so4 ! Sulfuric Acid\n Integer :: lhcl ! Hydrogen Chloride\n Integer :: lgly ! Glyoxal\n Integer :: lmgly ! Methylglyoxal\n Integer :: lho ! OH, hydroxyl radical\n\nCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC\nC...Aerosol surrogates species \nCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC\n\n Type sur_aer_type\n Character( 16 ) :: name( nmodes ) ! surrogate name\n Real :: backgnd ! background value\n Real :: molwt ! molecular weight\n Real :: density ! density [kg m-3] \n End Type sur_aer_type\n\n Type ( sur_aer_type ), Allocatable, Save :: srgaer( : )\n\nC... Additional Aerosol surrogate species to add to aerosol list\n Type ( sur_aer_type ), private :: addsrgaer( naddaer ) = (/\nC Aitken Accum Coarse Background MolWt Density\nC ------------- ------------- ------------- ---------- ----- ------\n! & sur_aer_type((/' ', ' ', 'CACO3 '/), 0.0, 100.1, 2200.0),\n! & sur_aer_type((/' ', ' ', 'MGCO3 '/), 0.0, 84.3, 2200.0),\n! & sur_aer_type((/' ', ' ', 'A3FE '/), 0.0, 55.8, 2000.0),\n! & sur_aer_type((/' ', ' ', 'B2MN '/), 0.0, 54.9, 2000.0),\n! & sur_aer_type((/' ', ' ', 'K '/), 0.0, 39.1, 2200.0),\n & sur_aer_type((/'NUM_AITKEN ', 'NUM_ACCUM ', 'NUM_COARSE '/), 0.0, 0.0, 1.0),\n & sur_aer_type((/'SRF_AITKEN ', 'SRF_ACCUM ', 'SRF_COARSE '/), 0.0, 0.0, 1.0)/)\n\nC...TX and other species added to Aerosol surrogate if not found in AE namelist file \n Type ( sur_aer_type ), private :: srgaer_addtx( nadd_tx ) = (/\nC Aitken Accum Coarse Background MolWt Density\nC ------------- ------------- ------------- ---------- ----- ------\n & sur_aer_type((/'TRACER_AITKEN ', ' ', ' '/), 0.0, 100.0, 2200.0),\n & sur_aer_type((/' ', 'TRACER_ACCUM ', ' '/), 0.0, 100.0, 2200.0),\n & sur_aer_type((/' ', ' ', 'TRACER_COARSE '/), 0.0, 100.0, 2200.0),\n & sur_aer_type((/'PHG_AITKEN ', ' ', ' '/), 0.0, 200.5, 2200.0),\n & sur_aer_type((/' ', 'PHG_ACCUM ', ' '/), 0.0, 200.5, 2200.0),\n & sur_aer_type((/' ', ' ', 'PHG_COARSE '/), 0.0, 200.5, 2200.0)/)\n\nC...Required aerosol species\n Character( 16 ), Parameter, Private :: req_aso4 = 'SO4_ACCUM'\n Character( 16 ), Parameter, Private :: req_anh4 = 'NH4_ACCUM'\n Character( 16 ), Parameter, Private :: req_ano3 = 'NO3_ACCUM'\n Character( 16 ), Parameter, Private :: req_asoa = 'SOA_ACCUM'\n Character( 16 ), Parameter, Private :: req_aorgc = 'AORGC_ACCUM'\n Character( 16 ), Parameter, Private :: req_apoa = 'POA_ACCUM'\n Character( 16 ), Parameter, Private :: req_aec = 'EC_ACCUM'\n Character( 16 ), Parameter, Private :: req_apri = 'PRI_ACCUM'\n! Character( 16 ), Parameter, Private :: req_apric = 'PRI_COARSE' ! SLN 16March2011\n Character( 16 ), Parameter, Private :: req_ana = 'NA_ACCUM'\n Character( 16 ), Parameter, Private :: req_acl = 'CL_ACCUM'\n Character( 16 ), Parameter, Private :: req_acaco3 = 'CACO3'\n Character( 16 ), Parameter, Private :: req_amgco3 = 'MGCO3'\n Character( 16 ), Parameter, Private :: req_aa3fe = 'A3FE'\n Character( 16 ), Parameter, Private :: req_ab2mn = 'B2MN'\n Character( 16 ), Parameter, Private :: req_ak = 'K'\n Character( 16 ), Parameter, Private :: req_num = 'NUM_ACCUM'\n Character( 16 ), Parameter, Private :: req_srf = 'SRF_ACCUM'\n\n Character( 16 ), Parameter, Private :: req_caacc = 'CA_ACCUM' ! SLN 16March2011\n Character( 16 ), Parameter, Private :: req_mgacc = 'MG_ACCUM' ! SLN 16March2011\n Character( 16 ), Parameter, Private :: req_kacc = 'K_ACCUM' ! SLN 16March2011\n Character( 16 ), Parameter, Private :: req_feacc = 'FE_ACCUM' ! SLN 22March2011\n Character( 16 ), Parameter, Private :: req_mnacc = 'MN_ACCUM' ! SLN 22March2011\n Character( 16 ), Parameter, Private :: req_soilc = 'SOIL_COARSE' ! SLN 16March2011\n Character( 16 ), Parameter, Private :: req_anthc = 'ANTH_COARSE' ! SLN 16March2011\n Character( 16 ), Parameter, Private :: req_seasc = 'SEAS_COARSE' ! SLN 16March2011\nC...For TX version \n Character( 16 ), Parameter, Private :: req_traceri = 'TRACER_AITKEN'\n Character( 16 ), Parameter, Private :: req_tracerj = 'TRACER_ACCUM'\n Character( 16 ), Parameter, Private :: req_tracerk = 'TRACER_COARSE'\n Character( 16 ), Parameter, Private :: req_phgi = 'PHG_AITKEN'\n Character( 16 ), Parameter, Private :: req_phgj = 'PHG_ACCUM'\n Character( 16 ), Parameter, Private :: req_phgk = 'PHG_COARSE'\nC...For Sulfur tracking\n Character( 16 ), Parameter, Private :: req_aso4aqh2o2 = 'SO4_AQH2O2_ACCUM'\n Character( 16 ), Parameter, Private :: req_aso4aqo3 = 'SO4_AQO3_ACCUM'\n Character( 16 ), Parameter, Private :: req_aso4aqfemn = 'SO4_AQFEMN_ACCUM'\n Character( 16 ), Parameter, Private :: req_aso4aqmhp = 'SO4_AQMHP_ACCUM'\n Character( 16 ), Parameter, Private :: req_aso4aqpaa = 'SO4_AQPAA_ACCUM'\n\n\nC...Pointers for the AQCHEM array AEROSOL\n Integer :: lso4 ! Sulfate\n Integer :: lnh4 ! Ammonium\n Integer :: lno3 ! Nitrate\n Integer :: lsoa ! SOA\n Integer :: lorgc ! SOA (anthropogenic organic oligomers)\n Integer :: lpoa ! Primary organic aerosol\n Integer :: lec ! Elemental carbon\n Integer :: lpri ! Primary aerosol (Aitken and Accumulation)\n! Integer :: lpricor ! Primary aerosol (coarse)\n Integer :: lna ! Sodium\n Integer :: lcl ! Chloride ion\n! Integer :: lcaco3 ! Calcium Carbonate aerosol (place holder)\n! Integer :: lmgco3 ! Magnesium Carbonate aerosol (place holder)\n! Integer :: la3fe ! Iron aerosol (place holder)\n! Integer :: lb2mn ! Manganese aerosol (place holder)\n! Integer :: lk ! Potassium aerosol (Cl- tracked separately) (place holder)\n Integer :: lnum ! Number\n Integer :: lsrf ! Surface area\n \nC...TXHG aersosols \n Integer :: ltracer_akn ! Tracer aerosols (Aitken)\n Integer :: ltracer_acc ! Tracer aerosols (Accumulation)\n Integer :: ltracer_cor ! Tracer aerosols (Coarse)\n Integer :: lphg_akn ! Mercuric aerosols (Aitken and Accumulation)\n Integer :: lphg_acc ! Mercuric aerosols (Aitken and Accumulation)\n Integer :: lphg_cor ! Mercuric aerosols (Coarse)\nC...Sulfur Tracking Model \n Integer :: lso4aqh2o2 ! Sulfate from aq H2O2 rxn\n Integer :: lso4aqo3 ! Sulfate from aq O3 rxn\n Integer :: lso4aqfemn ! Sulfate from aq rxn catalyzed by FE&MN\n Integer :: lso4aqmhp ! Sulfate from aq MHP rxn\n Integer :: lso4aqpaa ! Sulfate from aq PAA rxn\n\n Integer :: lcaacc ! Ca in Accumulation mode (AE6) SLN 16March2011\n Integer :: lmgacc ! Mg in Accumulation mode (AE6) SLN 16March2011\n Integer :: lkacc ! K in Accumulation mode (AE6) SLN 16March2011\n Integer :: lfeacc ! Fe in Accumulation mode (AE6) SLN 22March2011\n Integer :: lmnacc ! Mn in Accumulation mode (AE6) SLN 22March2011\n Integer :: lsoilc ! SOIL in Coarse mode (AE6) SLN 16March2011\n Integer :: lanthc ! CORS in Coarse mode (AE6) SLN 16March2011\n Integer :: lseasc ! SEAS in Coarse mode (AE6) SLN 16March2011\n\nC...Pointers for the AQCHEM arrays LIQUID and WETDEP\n Integer, Parameter :: lacl = 01 ! Hydrogen ion\n Integer, Parameter :: lnh4accl = 02 ! Ammonium(attributed to accum. mode)\n Integer, Parameter :: lcacorl = 03 ! coarse mode Calcium \n Integer, Parameter :: lnaaccl = 04 ! Sodium\n Integer, Parameter :: lohl = 05 ! Hydroxyl radical\n Integer, Parameter :: lso4accl = 06 ! Sulfate (attributed to accumulation mode)\n Integer, Parameter :: lhso4accl = 07 ! bisulfate (attributed to accumulation mode)\n Integer, Parameter :: lso3l = 08 ! sulfite\n Integer, Parameter :: lhso3l = 09 ! bisulfite\n Integer, Parameter :: lso2l = 10 ! sulfur dioxide\n Integer, Parameter :: lco3l = 11 ! carbonate\n Integer, Parameter :: lhco3l = 12 ! bicarbonate\n Integer, Parameter :: lco2l = 13 ! carbon dioxide\n Integer, Parameter :: lno3accl = 14 ! nitrate(attributed to accumulation mode)\n Integer, Parameter :: lnh3l = 15 ! ammonia\n Integer, Parameter :: lclaccl = 16 ! chloride ion (attributed to accumulation mode)\n Integer, Parameter :: lh2o2l = 17 ! hydrogen peroxide\n Integer, Parameter :: lo3l = 18 ! ozone\n Integer, Parameter :: lfecorl = 19 ! iron\n Integer, Parameter :: lmncorl = 20 ! Manganese\n Integer, Parameter :: lal = 21 ! generalized anion associated with iron\n Integer, Parameter :: lfoal = 22 ! Formic acid\n Integer, Parameter :: lhco2l = 23 ! HCOO- ion\n Integer, Parameter :: lmhpl = 24 ! Methyl hydrogen peroxide\n Integer, Parameter :: lpaal = 25 ! Peroxyacidic acid\n Integer, Parameter :: lhcll = 26 ! Hydrogen chloride\n Integer, Parameter :: lpriml = 27 ! primary aerosol\n Integer, Parameter :: lmgcorl = 28 ! coarse mode Magnesium\n Integer, Parameter :: lkcorl = 29 ! coarse mode Potassium\n Integer, Parameter :: lbl = 30 ! generalized anion associated with manganese\n Integer, Parameter :: lhno3l = 31 ! nitric acid\n! Integer, Parameter :: lprimcorl = 32 ! coarse-mode primary aerosol\n Integer, Parameter :: lnumcorl = 32 ! coarse-mode number\n Integer, Parameter :: lts6corl = 33 ! sulfate (attributed to coarse mode)\n Integer, Parameter :: lnacorl = 34 ! sodium (attributed to coarse mode)\n Integer, Parameter :: lclcorl = 35 ! chloride ion (attributed to coarse mode)\n Integer, Parameter :: lno3corl = 36 ! nitrate (attributed to coarse mode)\n Integer, Parameter :: lnh4corl = 37 ! ammonium (attributed to coarse mode)\n Integer, Parameter :: lsoal = 38 ! secondary organic aerosols\n Integer, Parameter :: lorgcl = 39 ! in-cloud soa\n integer, parameter :: lpoal = 40 ! primary organic aerosols\n Integer, Parameter :: lecl = 41 ! elemental carbon\n Integer, Parameter :: lglyl = 42 ! glyoxal\n Integer, Parameter :: lmglyl = 43 ! methylglyoxal\n Integer, Parameter :: lcaaccl = 44 ! accumulation mode Calcium (AE6) SLN 16March2011\n Integer, Parameter :: lmgaccl = 45 ! accumulation mode Magnesium (AE6) SLN 16March2011\n Integer, Parameter :: lkaccl = 46 ! accumulation mode Potassium (AE6) SLN 16March2011\n Integer, Parameter :: lsoilcl = 47 ! coarse mode SOIL (AE6) SLN 16March2011\n Integer, Parameter :: lanthcl = 48 ! coarse mode CORS (lol) (AE6) SLN 16March2011\n Integer, Parameter :: lseascl = 49 ! coarse mode SEAS (AE6) SLN 16March2011\n Integer, Parameter :: lfeaccl = 50 ! accumulation mode Iron (AE6) SLN 22March2011\n Integer, Parameter :: lmnaccl = 51 ! accumulation mode Manganese (AE6) SLN 22March2011\nC for TX version\n integer, parameter :: ltracerl = 52 ! TRACER\n integer, parameter :: ltracercorl = 53 ! Coarse-mode TRACER\n integer, parameter :: lphgfinel = 54 ! Fine-mode Mercury Tracer\n integer, parameter :: lphgcorl = 55 ! Coarse-mode Mercury Tracer\nC for sulfur tracking model\n Integer, Parameter :: lts6aqh2o2l = 56 ! total S(VI) from aq H2O2 rxn\n Integer, Parameter :: lts6aqo3l = 57 ! total S(VI) from aq O3 rxn\n Integer, Parameter :: lts6aqfemnl = 58 ! total S(VI) from aq FE&MN catalyzed rxn\n Integer, Parameter :: lts6aqmhpl = 59 ! total S(VI) from aq MHP rxn\n Integer, Parameter :: lts6aqpaal = 60 ! total S(VI) from aq PAA rxn\n \n Integer, Parameter :: ltracil = 61\n Integer, Parameter :: lpoail = 62\n Integer, Parameter :: lpriil = 63\n Integer, Parameter :: lsoail = 64\n\n Integer :: nsrggas( ngas ) ! # surrogates in CGRID for each gas\n Integer :: lsrggas( ngas,mxsrg )\n\n Integer, Allocatable, Save :: nsrgaer( :,: ) ! # surrogates in CGRID for each aerosol\n Integer, Allocatable, Save :: lsrgaer( :,:,: )\n Integer, Allocatable, Save :: aknsrg( :,: )\n\n Integer, Allocatable, Save :: cgrid2aq_map( : ) ! allocated in AQ_DATA_INIT\n Character( 16 ), Allocatable, Save :: cgrid2aq_name( : ) ! allocated in AQ_DATA_INIT\n\n Real( 8 ) :: jh2o2_hydrometeors ! H2O2 photolysis rate in condensed water [sec-1]\n Real( 8 ) :: jhno3_hydrometeors ! HNO3 photolysis rate in condensed water [sec-1]\n\n Logical, Private, Save :: mapped = .False.\n\n Contains\n \nC------------------------------------------------------------------------\n Subroutine aq_data_init()\n\nC Defines mapping from CGRID for species concentration and moments.\n \nC Revision History:\nC First version was coded in May 2010 by Steve Howard with\nC Prakash Bhave, Jeff Young, and Sergey Napelenok.\nC Jan 2017: Additional error check added to avoid array out of\nC bounds when additional aerosol species are added. HOT Pye.\nC-----------------------------------------------------------------------\n\n Use cgrid_spcs ! CGRID mechanism species\n Use utilio_defn\n Use aero_data \n Use phot_mod, Only: init_phot_shared ! set-up shared photolysis arrays\n \n Implicit None\n\nC Functions:\n Integer, External :: indexn\n\nC Local Variables:\n Character( 100 ) :: xmsg\n Character( 16 ), Allocatable, Save :: aename( : )\n Character( 16 ), Allocatable, Save :: cgrid2aq( : )\n Character( 10 ) :: bkground\n Integer :: igas\n Integer :: iaer\n Integer :: isrg\n Integer :: spc\n Integer :: mode\n Integer :: i\n Integer :: n\n Integer :: var\n Logical :: new, Jexist\n Integer :: lsrg( mxsrg )\n Integer :: n_cgrid2aq\n Integer :: ios\nC Local Variable used to determine what optional TX to add to surrogates\n !Logical :: found_all_modes\n !Integer :: n_missing_tx\n !Integer :: n_which_txadd( nadd_tx )\n CHARACTER(16) :: NAMEI, NAMEJ\n INTEGER LS2, LS1, LS3, LS4, ISRG2, ISRGI, IAERI, SPCI \n\n Logical, Save :: Firstcall = .True.\n \nC-----------------------------------------------------------------------\n\n\n If ( Firstcall ) Then\n Firstcall = .False.\n Else\n Return\n End if\n \n Call init_phot_shared()\n \n Allocate ( aename( n_ae_a2aq ), stat = ios )\n If ( ios .Ne. 0 ) Then\n xmsg = '*** Error allocating aename'\n Call m3exit( 'aq_data_init', 0, 0, xmsg, xstat3 )\n End If\n\nC...Build array of AE names that are mapped to AE_A2AQ\n Do spc = 1, n_ae_a2aq\n aename( spc ) = ae_spc( ae_a2aq_map( spc ) )\n End Do\n\nC...Set number of species in CGRID and used in Aqueous module\n n_cgrid2aq = n_gc_g2aq + n_ae_a2aq + n_nr_n2aq + n_tr_t2aq\n\n! Allocate ( cgrid2aq( n_cgrid2aq ),\n! & cgrid2aq_map( n_cgrid2aq ), stat = ios )\n! If ( ios .Ne. 0 ) Then\n! xmsg = '*** Error allocating cgrid2aq or cgrid2aq_map'\n! Call m3exit( 'aq_data_init', 0, 0, xmsg, xstat3 )\n! End If\n\n Allocate ( cgrid2aq( n_cgrid2aq ), stat = ios )\n If ( ios .Ne. 0 ) Then\n xmsg = '*** Error allocating cgrid2aq'\n Call m3exit( 'aq_data_init', 0, 0, xmsg, xstat3 )\n End If\n\n Allocate ( cgrid2aq_map( n_cgrid2aq ), stat = ios )\n If ( ios .Ne. 0 ) Then\n xmsg = '*** Error allocating cgrid2aq_map'\n Call m3exit( 'aq_data_init', 0, 0, xmsg, xstat3 )\n End If\n\n Allocate ( cgrid2aq_name( n_cgrid2aq ), stat = ios )\n If ( ios .Ne. 0 ) Then\n xmsg = '*** Error allocating cgrid2aq_name'\n Call m3exit( 'aq_data_init', 0, 0, xmsg, xstat3 )\n End If\n\nC...Map aero species\n Call map_aero()\n\n naer = n_aerospc + naddaer + nadd_tx\n\n Allocate ( srgaer( naer ), stat = ios )\n If ( ios .Ne. 0 ) Then\n xmsg = '*** Error allocating srgaer'\n Call m3exit( 'aq_data_init', 0, 0, xmsg, xstat3 )\n End If\n\n Allocate ( nsrgaer( naer,nmodes ), stat = ios )\n If ( ios .Ne. 0 ) Then\n xmsg = '*** Error allocating nsrgaer'\n Call m3exit( 'aq_data_init', 0, 0, xmsg, xstat3 )\n End If\n\n Allocate ( lsrgaer( naer,nmodes,mxsrg ), stat = ios )\n If ( ios .Ne. 0 ) Then\n xmsg = '*** Error allocating lsrgaer'\n Call m3exit( 'aq_data_init', 0, 0, xmsg, xstat3 )\n End If\n \n Allocate ( aknsrg( naer,mxsrg ), stat = ios )\n If ( ios .Ne. 0 ) Then\n xmsg = '*** Error allocating aknsrg'\n Call m3exit( 'aq_data_init', 0, 0, xmsg, xstat3 )\n End If\n\nC...Populate optional aerosol surrogate species (e.g.\nC TRACER_AITKEN, TRACER_ACCUM, TRACER_COARSE, \nC PHG_AITKEN, PHG_ACCUM, PHG_COARSE )\n Do spc = 1, nadd_tx\n srgaer( spc ) = srgaer_addtx( spc )\n End Do\n\nC...Initialize aerosol surrogate species from AERO_DATA table\n Do var = 1, n_aerospc\n spc = nadd_tx + var\n srgaer( spc ) = sur_aer_type( (/' ',' ',' '/), 0.0, 0.0, 0.0 )\n\n ! Skip H2O, H2OP, and SOIL species\n If ( var .Eq. ah2o_idx .Or. var .Eq. ah3op_idx ) Then\n write(xmsg,'(4(A,1x))')'Skipping AQ surrogate for AEROSPC ',\n & aerospc( spc-nadd_tx )%name( 1:n_mode )\n Call m3warn( 'aq_data_init', 0, 0, xmsg )\n Cycle\n End if\n\n Do mode = 1, n_mode\n n = index1( aerospc( var )%name( mode ), n_ae_a2aq, aename )\n \n If ( n .Gt. 0 ) Then\n ! Verify that surrogate is new\n new = .True. \n Do i = 1, spc\n If ( ae_a2aq( n ) .Eq. srgaer( i )%name( mode ) ) Then\n new = .False.; Exit\n End If\n \n\t\t Jexist = .false. ! Does J mode exist for a new I mode species?\t \n\t\t If ( mode .eq. 1) then\n\t\t spci = spc\n\t\t ls1 = len_trim(ae_a2aq(n))\n\t\t ls2 = len_trim(srgaer(i)%name(2))\n\t\t namei = ae_a2aq(n)\n\t\t namei = namei(1:ls1-7) ! Remove \"_AITKEN\" to get base name for I mode\n\t\t namej = srgaer(i)%name(2)\n\t\t namej = namej(1:ls2-6) ! Remove \"_ACCUM\" to get base name for J mode\n\t\t If (trim(namei) .eq. trim(namej)) then\n\t\t spci = i\n\t\t Jexist = .true.; Exit\n\t\t End If\n\t\t End If\t \n\t\t \n End Do\t \n\t \n\t If ( new ) Then\n\t \n\t\t If (Jexist) then \n\t srgaer( spci )%name( mode ) = ae_a2aq( n )\n srgaer( spci )%density = aerospc( var )%density\n srgaer( spci )%molwt = aerospc_mw( var )\n\t\t Else\n srgaer( spc )%name( mode ) = ae_a2aq( n )\n srgaer( spc )%density = aerospc( var )%density\n srgaer( spc )%molwt = aerospc_mw( var ) \n\t\t End If\n\n End If\n End If\n End Do ! mode\n End Do ! spc\n \n\nC...Initialize aerosol moment surrogates (i.e.\nC NUM_AITKEN, NUM_ACCUM, NUM_COARSE,\nC SRF_AITKEB, SRF_ACCUM, SRF_COARSE )\n Do n = 1, naddaer\n spc = n_aerospc + nadd_tx + n\n srgaer( spc ) = addsrgaer( n )\n End Do\n \n\n#ifdef verbose_cloud\nC...write out SRGGAS and SRGAER to verify\n Write( logdev, 1005 )ngas\n Do spc = 1, ngas\n Write( logdev,1007 ) srggas( spc )%name, srggas( spc )%backgnd\n End Do\n Write( logdev,1009 ) naer\n Do spc = 1, naer\n Write( logdev,1111 ) srgaer( spc )%name, srgaer( spc )%density,\n & srgaer( spc )%molwt, srgaer( spc )%backgnd\n End Do\n#endif \n\nC...Prepare indices for aqueous species\n\nC...CGRID map to aqueous species pointers for the gases\n spc = 0\n Do var = 1, n_gc_g2aq\n spc = spc + 1\n cgrid2aq( spc ) = gc_g2aq( var )\n cgrid2aq_map( spc ) = gc_g2aq_map( var ) + gc_strt - 1\n cgrid2aq_name( spc ) = gc_spc( gc_g2aq_map( var ) )\n End Do\n\nC...CGRID map to aqueous species pointers for the aerosols\n Do var = 1, n_ae_a2aq\n spc = spc + 1\n cgrid2aq( spc ) = ae_a2aq( var )\n cgrid2aq_map( spc ) = ae_a2aq_map( var ) + ae_strt - 1\n cgrid2aq_name( spc ) = ae_spc( ae_a2aq_map( var ) )\n End Do\n\nC...CGRID map to aqueous species pointers for the non-reactives\n Do var = 1, n_nr_n2aq\n spc = spc + 1\n cgrid2aq( spc ) = nr_n2aq( var )\n cgrid2aq_map( spc ) = nr_n2aq_map( var ) + nr_strt - 1\n cgrid2aq_name( spc ) = nr_spc( nr_n2aq_map( var ) )\n End Do\n\nC...CGRID map to aqueous species pointers for the tracers\n Do var = 1, n_tr_t2aq\n spc = spc + 1\n cgrid2aq( spc ) = tr_t2aq( var )\n cgrid2aq_map( spc ) = tr_t2aq_map( var ) + tr_strt - 1\n cgrid2aq_name( spc ) = tr_spc( tr_t2aq_map( var ) )\n End Do\n\n write(logdev, 1114)\nC...Create the pointers from CGRID to the gaseous species needed by AQCHEM\n nsrggas = 0\n Do igas = 1, ngas\n nsrggas( igas ) = indexn( srggas( igas )%name, n_cgrid2aq, cgrid2aq, lsrg )\n If ( nsrggas( igas ) .Eq. 0 ) Then\n Write ( bkground, '(F8.4)' ) srggas( igas )%backgnd\n xmsg = trim( srggas( igas )%name )\n & // ' is not in GC or NR namelist so using background value of '\n & // trim( bkground )\n Call m3mesg( xmsg )\n Else\n Do isrg = 1, nsrggas( igas )\n lsrggas( igas,isrg ) = lsrg( isrg )\n#ifdef verbose_cloud\n write( logdev,1113 ) cgrid2aq_name( lsrggas( igas,isrg ) ),\n & cgrid2aq_map( lsrggas( igas,isrg ) ), srggas( igas )%name,\n & igas,lsrggas( igas,isrg )\n#endif \n End Do\n End If\n End Do\n\nC...Create the pointers from CGRID to the aerosol species needed by AQCHEM\n nsrgaer = 0\n aknsrg = 0\n write(logdev, 1114)\n Do iaer = 1, naer\n Do n = 1, nmodes\n If ( srgaer( iaer )%name( n ) .Ne. ' ' ) Then\n nsrgaer( iaer,n ) = indexn( srgaer( iaer )%name( n ), n_cgrid2aq,\n & cgrid2aq, lsrg )\n If ( nsrgaer( iaer,n ) .Eq. 0 ) Then\n Write ( bkground, '(f8.4)' ) srgaer( iaer )%backgnd\n xmsg = trim( srgaer( iaer )%name( n ) )\n & // ' is not in AE namelist so using background value of '\n & // trim( bkground )\n Call m3mesg( xmsg )\n Else\n Do isrg = 1, nsrgaer( iaer,n )\n If ( isrg .Gt. mxsrg ) Then\n xmsg = 'lsrg will index out of bounds. Increase mxsrg in AQ_DATA.F'\n Call m3exit( 'AQ_DATA', 0, 0, xmsg, xstat3 )\n End If\n lsrgaer( iaer,n,isrg ) = lsrg( isrg )\n\t\t\t\n#ifdef verbose_cloud\n write( logdev,1113 ) cgrid2aq_name( lsrgaer( iaer,n,isrg ) ),\n & cgrid2aq_map( lsrgaer( iaer,n,isrg ) ), srgaer( iaer )%name( n ),\n & iaer, lsrgaer( iaer,n,isrg )\n#endif \t\t \n \n End Do\n End If\n End If\n End Do\n End Do\n \nC...Create the pointers for required gas surrogate species needed by AQCHEM\n lso2 = findSgrGas( req_so2 ) ! Sulfur Dioxide\n lhno3 = findSgrGas( req_hno3 ) ! Nitric Acid\n ln2o5 = findSgrGas( req_n2o5 ) ! Dinitrogen Pentoxide\n lco2 = findSgrGas( req_co2 ) ! Carbon Dioxide\n lnh3 = findSgrGas( req_nh3 ) ! Ammonia\n lh2o2 = findSgrGas( req_h2o2 ) ! Hydrogen Perioxide\n lo3 = findSgrGas( req_o3 ) ! Ozone\n lfoa = findSgrGas( req_foa ) ! Formic Acid\n lmhp = findSgrGas( req_mhp ) ! Methyl Hydrogen Peroxide\n lpaa = findSgrGas( req_paa ) ! Peroxyacidic Acid\n lh2so4 = findSgrGas( req_h2so4 ) ! Sulfuric Acid\n lhcl = findSgrGas( req_hcl ) ! Hydrogen Chloride\n lgly = findSgrGas( req_gly ) ! Glyoxal\n lmgly = findSgrGas( req_mgly ) ! Methylglyoxal\n lho = findSgrGas( req_ho ) ! OH, hydroxyl radical\n\nC...Create the pointers for required aerosol surrogate species needed by AQCHEM\n lso4 = findSgrAer( req_aso4 ) ! Sulfate\n lnh4 = findSgrAer( req_anh4 ) ! Ammonium\n lno3 = findSgrAer( req_ano3 ) ! Nitrate\n lsoa = findSgrAer( req_asoa ) ! SOA\n lorgc = findSgrAer( req_aorgc ) ! SOA (anthropogenic organic oligomers)\n lpoa = findSgrAer( req_apoa ) ! Primary organic aerosol\n lec = findSgrAer( req_aec ) ! Elemental carbon\n lpri = findSgrAer( req_apri ) ! Primary aerosol (Aitken and Accumulation)\n! lpricor= findSgrAer( req_apric ) ! Primary aerosol (coarse)\n lna = findSgrAer( req_ana ) ! Sodium\n lcl = findSgrAer( req_acl ) ! Chloride ion\n! lcaco3 = findSgrAer( req_acaco3 ) ! Calcium Carbonate aerosol (place holder)\n! lmgco3 = findSgrAer( req_amgco3 ) ! Magnesium Carbonate aerosol (place holder)\n! la3fe = findSgrAer( req_aa3fe ) ! Iron aerosol (place holder)\n! lb2mn = findSgrAer( req_ab2mn ) ! Manganese aerosol (place holder)\n! lk = findSgrAer( req_ak ) ! Potassium aerosol (Cl- tracked separately)\n lnum = findSgrAer( req_num ) ! Number\n lsrf = findSgrAer( req_srf ) ! Surface area\n lcaacc = findSgrAer( req_caacc ) ! Ca in Accumulation mode (AE6) SLN 16March2011\n lmgacc = findSgrAer( req_mgacc ) ! Mg in Accumulation mode (AE6) SLN 16March2011\n lkacc = findSgrAer( req_kacc ) ! K in Accumulation mode (AE6) SLN 16March2011\n lfeacc = findSgrAer( req_feacc ) ! Fe in Accumulation mode (AE6) SLN 22March2011\n lmnacc = findSgrAer( req_mnacc ) ! Mn in Accumulation mode (AE6) SLN 22March2011\n lsoilc = findSgrAer( req_soilc ) ! SOIL in Coarse mode (AE6) SLN 16March2011\n lanthc = findSgrAer( req_anthc ) ! CORS in Coarse mode (AE6) SLN 16March2011\n lseasc = findSgrAer( req_seasc ) ! SEAS in Coarse mode (AE6) SLN 16March2011\n \n \nC...For TXHG version\n ltracer_akn = findSgrAer( req_traceri ) ! Tracer aitken mode \n ltracer_acc = findSgrAer( req_tracerj ) ! Tracer accumation mode \n ltracer_cor = findSgrAer( req_tracerk ) ! Tracer coarse mode \n lphg_akn = findSgrAer( req_phgi ) ! Mercuric aitken and accumulation modes\n lphg_acc = findSgrAer( req_phgj ) ! Mercuric aitken and accumulation modes\n lphg_cor = findSgrAer( req_phgk ) ! Mercuric coarse mode\nC...For sulfur tracking model\n If ( stm ) Then\n lso4aqh2o2 = findSgrAer( req_aso4aqh2o2 ) ! Sulfate from aq H2O2 rxn\n lso4aqo3 = findSgrAer( req_aso4aqo3 ) ! Sulfate from aq O3 rxn\n lso4aqfemn = findSgrAer( req_aso4aqfemn ) ! Sulfate from aq rxn catalyzed by FE&MN\n lso4aqmhp = findSgrAer( req_aso4aqmhp ) ! Sulfate from aq MHP rxn\n lso4aqpaa = findSgrAer( req_aso4aqpaa ) ! Sulfate from aq PAA rxn\n End If\n\n mapped = .True.\n \nC...Match ACC mode surrogate indices to their AKN mode counterparts\n\n \n DO IAER = 1, NAER\n\t DO ISRG = 1, NSRGAER( IAER,2 )\t\t\n\t\t NAMEJ = CGRID2AQ_NAME( LSRGAER( IAER,2,ISRG ) )\n\t\t LS1 = LEN_TRIM(NAMEJ)\n\t\t LS2 = 0\n\t\t DO I = 1, LS1\n\t\t IF(NAMEJ(I:I) .NE. ' ') THEN\n\t\t\t LS2 = LS2+1\n\t\t END IF\n\t\t END DO\n\t\t ISRGI = 0\n\t\t\t\n IF(IAER .EQ. LTRACER_ACC) THEN\n\t\t IAERI = LTRACER_AKN \n\t\t ELSE\n\t\t IAERI = IAER\n\t\t END IF\n\t\t\t\n\t\t LOOP_SRGI: DO ISRG2 = 1, NSRGAER( IAERI, 1 )\n\t\t\t NAMEI = CGRID2AQ_NAME( LSRGAER( IAERI,1,ISRG2 ) )\n\t\t\t LS3 = LEN_TRIM(NAMEI)\n\t\t LS4 = 0\n\t\t DO I = 1, LS3\n\t\t IF(NAMEI(I:I) .NE. ' ') THEN\n\t\t\t LS4 = LS4+1\n\t\t\t END IF\n\t\t\t END DO\n\t\t\t\n\t\t\t IF( TRIM(NAMEJ(1:LS2-1)) .EQ. TRIM(NAMEI(1:LS4-1)) ) THEN\n\t\t\t ISRGI = ISRG2\n\t\t\t EXIT LOOP_SRGI\n\t\t\t END IF\n\t\t\t END DO LOOP_SRGI\t\n\t\t\t \n\t\t\t\n\t\t\tAKNSRG(IAER, ISRG) = ISRGI\t\t\n\n\t END DO\n END DO\n\n\n#ifdef verbose_cloud\n Write( logdev,'( /5x, a )' ) 'AQCHEM gas surrogate species'\n Write( logdev,'( 5x, a, i4 )' ) 'lso2: ', lso2\n Write( logdev,'( 5x, a, i4 )' ) 'lhno3: ', lhno3\n Write( logdev,'( 5x, a, i4 )' ) 'ln2o5: ', ln2o5\n Write( logdev,'( 5x, a, i4 )' ) 'lco2: ', lco2\n Write( logdev,'( 5x, a, i4 )' ) 'lnh3: ', lnh3\n Write( logdev,'( 5x, a, i4 )' ) 'lh2o2: ', lh2o2\n Write( logdev,'( 5x, a, i4 )' ) 'lo3: ', lo3\n Write( logdev,'( 5x, a, i4 )' ) 'lfoa: ', lfoa\n Write( logdev,'( 5x, a, i4 )' ) 'lmhp: ', lmhp\n Write( logdev,'( 5x, a, i4 )' ) 'lpaa: ', lpaa\n Write( logdev,'( 5x, a, i4 )' ) 'lh2so4: ', lh2so4\n Write( logdev,'( 5x, a, i4 )' ) 'lhcl: ', lhcl\n Write( logdev,'( 5x, a, i4 )' ) 'lgly: ', lgly\n Write( logdev,'( 5x, a, i4 )' ) 'lmgly: ', lmgly\n Write( logdev,'( 5x, a, i4 )' ) 'lho: ', lho\n\n Write( logdev,'( /5x, a )' ) 'AQCHEM aer osol surrogate species'\n Write( logdev,'( 5x, a, i4 )' ) 'lso4: ', lso4\n Write( logdev,'( 5x, a, i4 )' ) 'lnh4: ', lnh4\n Write( logdev,'( 5x, a, i4 )' ) 'lno3: ', lno3\n Write( logdev,'( 5x, a, i4 )' ) 'lsoa: ', lsoa\n Write( logdev,'( 5x, a, i4 )' ) 'lorgc: ', lorgc\n Write( logdev,'( 5x, a, i4 )' ) 'lpoa: ', lpoa\n Write( logdev,'( 5x, a, i4 )' ) 'lec: ', lec\n Write( logdev,'( 5x, a, i4 )' ) 'lpri: ', lpri\n Write( logdev,'( 5x, a, i4 )' ) 'lna: ', lna\n Write( logdev,'( 5x, a, i4 )' ) 'lcl: ', lcl\n Write( logdev,'( 5x, a, i4 )' ) 'lnum: ', lnum\n Write( logdev,'( 5x, a, i4 )' ) 'lsrf: ', lsrf\n Write( logdev,'( 5x, a, i4 )' ) 'lcaacc: ', lcaacc\n Write( logdev,'( 5x, a, i4 )' ) 'lmgacc: ', lmgacc\n Write( logdev,'( 5x, a, i4 )' ) 'lkacc: ', lkacc\n Write( logdev,'( 5x, a, i4 )' ) 'lfeacc: ', lfeacc\n Write( logdev,'( 5x, a, i4 )' ) 'lmnacc: ', lmnacc\n Write( logdev,'( 5x, a, i4 )' ) 'lsoilc: ', lsoilc\n Write( logdev,'( 5x, a, i4 )' ) 'lanthc: ', lanthc\n Write( logdev,'( 5x, a, i4 )' ) 'lseasc: ', lseasc\n Write( logdev,'( 5x, a, i4 )' ) 'ltracer_akn: ', ltracer_akn\n Write( logdev,'( 5x, a, i4 )' ) 'ltracer_acc: ', ltracer_acc\n Write( logdev,'( 5x, a, i4 )' ) 'ltracer_cor: ', ltracer_cor\n Write( logdev,'( 5x, a, i4 )' ) 'lphg_akn: ', lphg_akn\n Write( logdev,'( 5x, a, i4 )' ) 'lphg_acc: ', lphg_acc\n Write( logdev,'( 5x, a, i4 )' ) 'lphg_cor: ', lphg_cor\n \n If ( stm ) Then\n Write( logdev,'( 5x, a, i4 )' ) 'lso4aqh2o2:', lso4aqh2o2\n Write( logdev,'( 5x, a, i4 )' ) 'lso4aqo3: ', lso4aqo3\n Write( logdev,'( 5x, a, i4 )' ) 'lso4aqfemn:', lso4aqfemn\n Write( logdev,'( 5x, a, i4 )' ) 'lso4aqmhp: ', lso4aqmhp\n Write( logdev,'( 5x, a, i4 )' ) 'lso4aqpaa: ', lso4aqpaa\n End If\n#endif\n\n Write( logdev,'( / 5x, a / )' ) ' --- AQCHEM Gas and Aerosol Species Mapped ---'\n\nC1005 Format( / \"GASES\" / \"NGAS = \", i3 / \" name \",\" backgrd\" // )\nC1007 Format( a16, 1x, f8.2 )\nC1009 Format( / \"AEROSOLS\" / \"NAER = \", i3 / \" name(1) \", \" name(2) \",\nC & \" name(3) \", \" dens \", \" backgrd\" // )\nC1111 Format( 3(a16,1x), f6.0, 2(1x, f8.2) )\nC1113 Format( a16, 1x, i4, 1x, a16, 1x, i4, 1x, i4) \n1114 Format( / \" CGRID_SPC \", 1x, \"SPC \", 1x, \" SURROGATE \", 1x, \"ISRG\", 1x, \"IDX \" )\n\n Return\n End Subroutine aq_data_init\n\nC-----------------------------------------------------------------------\n Function findSgrGas( vname ) Result ( idx )\n\nC Finds the index of 'required' gas surrogate species in the srggas list\n\nC Revision History:\nC First version was coded in April 2010 by Steve Howard with\nC Prakash Bhave, Jeff Young, and Sergey Napelenok.\nC-----------------------------------------------------------------------\n\n Use utilio_defn\n\n Implicit None\n\nC Arguments:\n Character( 16 ) :: vname\n Integer idx\n\nC Local Variables:\n Character( 80 ) :: xmsg\n Integer spc\n\n idx = 0\n Do spc = 1, ngas \n If ( srggas( spc )%name .Eq. vname ) Then\n idx = spc\n ! Write( *,'(a,i5)' ) vname, idx\n Return\n End If\n End Do\n\n xmsg = 'Required Species ' // Trim( vname ) // ' Not found in SgrGas names array'\n Call m3exit( 'AQ_DATA', 0, 0, xmsg, xstat3 )\n\n Return\n End Function findSgrGas\n\nC-----------------------------------------------------------------------\n Function findSgrAer( vname ) Result ( idx )\n\nC Finds the index of 'required' Aerosol surrogate species in the srgaer list\n\nC Revision History:\nC First version was coded in April 2010 by Steve Howard with\nC Prakash Bhave, Jeff Young, and Sergey Napelenok.\nC-----------------------------------------------------------------------\n\n Use utilio_defn\n\n Implicit None\n\nC Arguments:\n Character( 16 ) :: vname\n Integer idx\n\nC Local Variables:\n Character( 80 ) :: xmsg\n Integer spc, n\n\n idx = 0\n Do spc = 1, naer\n Do n = 1, nmodes\n ! Write( *,'(a,i5)' ) vname, spc\n If ( srgaer( spc )%name( n ) .Eq. vname ) Then\n idx = spc\n ! Write( *,'(a,i5)' ) vname, idx\n Return\n End If\n End Do\n End Do\n\n xmsg = 'Required Species ' // Trim( vname ) // ' Not found in SgrAer names array'\n Call m3exit( 'AQ_DATA', 0, 0, xmsg, xstat3 )\n\n Return\n End Function findSgrAer\n\nC-----------------------------------------------------------------------\n Subroutine set_aeconcmin( aeconcmin )\nC-----------------------------------------------------------------------\nC\nC Function:\nC set minimum concentrations for aerosol species\nC routine called from convcld_acm\nC\nC Preconditions:\nC Dates and times represented YYYYDDD:HHMMSS.\nC\nC Revision History:\nC 5/05 copied code from aero_depv to begin subroutine\nC 4/08 J.Kelly: added code to set min for coarse surface area\nC 21 Jun 10 J.Young: convert for Namelist redesign\nC-----------------------------------------------------------------------\n\n Use cgrid_spcs ! CGRID mechanism species\n Use aero_data\n Use utilio_defn\n\n Implicit None\n\nC..Includes:\n Include SUBST_CONST ! constants\n\nC..Functions:\n\nC..Arguments:\n Real, Intent( Out ) :: aeconcmin( : ) ! array of minimum concentrations\n\nC..Local Variables:\n !Character( 16 ) :: pname = 'SET_AECONCMIN' ! program name\n\n Integer m ! mode loop counter\n Integer n ! aerospc loop counter\n Integer spc ! species loop counter\n\n\n ! compute minimums for numbers and surfaces\n\n Do m = 1, n_mode\n spc = index1( aeromode( m )%num_name, n_ae_spc, ae_spc )\n aeconcmin( spc ) = aeromode_minNum( m ) * mwair * 1.0E-3\n\n spc = index1( aeromode( m )%srf_name, n_ae_spc, ae_spc )\n aeconcmin( spc ) = aeromode_minM2( m ) * mwair * 1.0E-3\n End Do\n\n ! compute minimums for aerosol species\n Do m = 1, n_mode\n Do n = 1, n_aerospc\n If ( .NOT. aero_missing(n,m) ) Then\n spc = index1( aerospc( n )%name( m ), n_ae_spc, ae_spc )\n If ( spc .Ne. 0 ) Then\n aeconcmin( spc ) = aerospc( n )%min_conc( m ) * mwair * 1.0E-9 / ae_molwt( spc )\n End If \n End If\n End Do\n End Do \n\n Return\n End Subroutine set_aeconcmin\n\n End Module aq_data\n" }, { "path": "CCTM/src/cloud/acm_ae6/acmcld.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE ACMCLD ( NSP, NLAYS, F, C, DZH, CBELOW, CLBASE, CLTOP,\n & FRAC, TCLIFE, DTCLD )\nC-----------------------------------------------------------------------\nC\nC FUNCTION: Subroutine to compute convective mixing in the CBL\nC according to the Asymmetrical Convective Model (ACM).\nC Ref: Pleim and Chang (1992)\nC\nC SUMMARY:\nC ACM is based on the Blackadar non-local convective model which is\nC used in HIRPBL where upward mixing similar to Blackadar but\nC downward mixing is to the next lower level representing more\nC realistic gradual subsidence.\nC\nC REVISION HISTORY:\nC Date Who What\nC -------- --- -----------------------------------------\nC 06/2005 J.Pleim Initial version\nC 07/2005 J.Young Clean up for CMAQ-F\nC 05/2015 J.Young Clean up for CMAQv5.1\nC 01/2018 J.Pleim Convert from sigma to Z for MPAS\nC-----------------------------------------------------------------------\\\n\n IMPLICIT NONE\n\nC Arguments\n\n INTEGER, INTENT( IN ) :: NSP ! no. of species\n INTEGER, INTENT( IN ) :: NLAYS ! no. of model layers\n REAL, INTENT( IN ) :: F( : ) ! entrainment fraction\n REAL, INTENT( INOUT ) :: C( :, : ) ! species concentration\n REAL, INTENT( IN ) :: DZH( : )\n REAL, INTENT( INOUT ) :: CBELOW( : ) ! spec conc in layer below cld base\n INTEGER, INTENT( IN ) :: CLBASE\n INTEGER, INTENT( IN ) :: CLTOP\n REAL, INTENT( IN ) :: FRAC ! grid cell fractional cloud cover\n REAL, INTENT( IN ) :: TCLIFE ! cloud lifetime (s)\n REAL, INTENT( IN ) :: DTCLD ! cloud integration time step\n\nC Parameters\n\n REAL, PARAMETER :: HALF = 0.5\n REAL, PARAMETER :: CRANKP = 0.5\n\nC Local variables\n\n INTEGER NLP, K, NL, S ! index variables\n INTEGER KB\n\n REAL DTLIM, F1\n REAL DTS, DELC, M1UP\n REAL( 8 ), ALLOCATABLE, SAVE :: AI( : ), BI( : ), EI( : )\n REAL( 8 ), ALLOCATABLE, SAVE :: DI( : ), UI( : )\n REAL( 8 ) :: ALPHA, BETA, GAMA\n REAL, ALLOCATABLE, SAVE :: VCI( :,: )\n REAL, ALLOCATABLE, SAVE :: MBARKS( : ), MDWN( : )\n\n!--Local Arrays for MPAS implementation\n REAL, ALLOCATABLE, SAVE :: DZHI ( : ) ! 1/DZH\n\n INTEGER :: ALLOCSTAT\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n CHARACTER (LEN = 80) :: XMSG\n\nC-----------------------------------------------------------------------\n\n IF (FIRSTIME) THEN\n ALLOCATE (AI( NLAYS ), \n & BI( NLAYS ), \n & EI( NLAYS ),\n & DI( NLAYS ), \n & UI( NLAYS ),\n & VCI( NLAYS,NSP ),\n & MBARKS( NLAYS ), \n & MDWN( NLAYS ),\n & DZHI ( NLAYS ),\n & STAT=ALLOCSTAT)\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'EXIT: Failure allocating AI, BI, EI, DI, UI, VCI, MBARKS, MDWN or DZHI'\n write (6, *) trim(xmsg); stop\n END IF\n FIRSTIME = .FALSE. \n END IF\n\n DTLIM = DTCLD\n MDWN ( CLTOP + 1 ) = 0.0\n M1UP = 0.0\n DZHI = 1.0 / DZH ! array assignment\n KB = CLBASE - 1\n DZHI( KB ) = 1.0 / DZH( KB )\n\nC Compute ACM mixing rate\n\n DO K = CLTOP, CLBASE, -1\n MBARKS( K ) = ( 1.0 - F( K ) ) * FRAC / TCLIFE\n MDWN ( K ) = MBARKS( K ) + MDWN( K + 1 ) * DZH( K + 1 ) * DZHI( K )\n M1UP = M1UP + MBARKS( K ) * DZH( K )\n DTLIM = MIN( HALF / ( M1UP * DZHI( K ) ), DTLIM )\n END DO\n DTLIM = MIN( HALF / ( M1UP * DZHI( KB ) ), DTLIM )\n\n DO S = 1, NSP\n VCI( KB, S ) = CBELOW( S )\n VCI( CLTOP+1,S ) = 9999.0\n DO K = CLBASE, CLTOP\n VCI( K,S ) = C( S,K )\n UI( K ) = 0.0 ! init variable for use below\n END DO\n END DO\n\n NLP = INT( DTCLD / DTLIM + 1.0 )\n DTS = ( DTCLD / NLP )\n DO 2000 NL = 1, NLP ! loop over sub timestep\n DO 1000 S = 1, NSP ! loop over species\n \nC Compute tendency of CBL concentrations - Semi-Implicit solution\n\n DO K = CLBASE, CLTOP\n DELC = DTS\n & * ( MBARKS( K ) * VCI( KB,S )\n & - MDWN( K ) * VCI( K,S )\n & + DZH( K+1 ) * DZHI( K ) * MDWN( K+1 ) * VCI( K+1,S ) )\n DI( K ) = VCI( K,S ) + ( 1.0 - CRANKP ) * DELC\n EI( K ) = -CRANKP * MDWN( K ) * DTS * DZH( K ) * DZHI( K-1 )\n BI( K ) = 1.0 + CRANKP * MDWN( K ) * DTS\n AI( K ) = -CRANKP * MBARKS( K ) * DTS\n END DO\n\n BI( KB ) = 1.0 + CRANKP * M1UP * DTS * DZHI( KB )\n F1 = M1UP * VCI( KB,S )\n & - MDWN( CLBASE ) * VCI( CLBASE,S ) * DZH( CLBASE )\n DI( KB ) = VCI( KB,S ) - ( 1.0 - CRANKP ) * F1 * DZHI( KB ) * DTS\n\nC Define arrays A,B,E which make up matrix and D which is RHS\n\n BETA = DI( KB )\n GAMA = BI( KB )\n ALPHA = 1.0\n DO K = CLBASE, CLTOP\n ALPHA = -ALPHA * EI( K ) / BI( K )\n BETA = ALPHA * DI( K ) + BETA\n GAMA = ALPHA * AI( K ) + GAMA\n END DO\n UI( KB ) = BETA / GAMA\n UI( CLTOP ) = ( DI( CLTOP ) - AI( CLTOP ) * UI( KB ) ) / BI( CLTOP )\n\n BETA = DI( KB )\n GAMA = BI( KB )\n ALPHA = 1.0\n\nC Back substitution:\n DO K = CLTOP - 1, CLBASE, -1\n UI( K ) = ( DI( K ) - AI( K ) * UI( KB ) - EI( K+1 ) * UI( K+1 ) )\n & / BI( K )\n END DO\n\nC Update concentrations\n DO K = KB, CLTOP\n VCI( K,S ) = REAL( UI( K ), 4 )\n END DO\n\n1000 CONTINUE ! end loop for species\n2000 CONTINUE ! end timestep loop\n\n DO S = 1, NSP\n\n CBELOW( S ) = VCI( KB,S )\n\n DO K = CLBASE, CLTOP\n C( S,K ) = VCI( K,S )\n END DO\n\n END DO\n\n RETURN\n END\n" }, { "path": "CCTM/src/cloud/acm_ae6/aq_map.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE AQ_MAP ( JDATE, JTIME, WTBAR, WCBAR, TBARC, PBARC,\n & CTHK1, AIRM, PRATE1, TAUCLD, POLC, CEND,\n & REMOV, REMOVAC, ALFA0, ALFA2, ALFA3, COSZ )\n\nC-----------------------------------------------------------------------\nC DESCRIPTION: This is an interface processor between the cloud dynamics\nC module(s) and the aqueous chemistry module. It uses indices to\nC map species from their order in the array POLC, CEND, REMOV to\nC the species that are expected for AQCHEM, ie GAS and AEROSOL.\n \nC Revision History:\nC No Date Who What\nC -- -------- --- -----------------------------------------\nC 0 01/15/98 sjr created program\nC 1 02/13/98 sjr modified/generalized the mapping procedure\nC Dec 00 Jeff move CGRID_MAP into f90 module\nC 3 06/07/05 sjr added logic for coarse sulfate\nC 4 04/11/08 jtk added logic for coarse ammonium\nC 5 10/10/10 yoj update to use aero_reeng by Steve Howard, Prakash Bhave,\nC Jeff Young, Sergey Napelenok, and Shawn Roselle\nC 6 03/01/11 sjr replaced I/O API include files with UTILIO_DEFN;\nC 7 07/01/01 gs calculate zenith angle to determine daytime and nightime \nC needed for sulfur oxidation via metal catalysis\nC 8 09/10/11 wth adapted for multiple pollutant model, i.e., Gas phase mercury \nC PM mercury and tracer species\nC 07 Jul 14 wth: replaced mechanism include file(s) with fortran module\nC 01 Feb 19 D.Wong: replaced run time dynamic arrays with allocatable arrays\nC 30 Dec 19 S.Napelenok: ddm-3d implementation for v 5.3.1\n \nC Called by: RADMCLD and RESCLD\n \nC Calls the following subroutines: AQCHEM\n \nC ARGUMENTS TYPE I/O DESCRIPTION\nC --------- ------- ------ --------------------------------\nC JDATE integer input current model julian date (yyyyddd)\nC JTIME integer input current model time (hhmmss)\nC WTBAR real input avg total water content (kg/m3)\nC WCBAR real input avg liquid water content (kg/m3)\nC TBARC real input avg cloud temperature (K)\nC PBARC real input avg cloud pressure (Pa)\nC CTHK1 real input cloud thickness (m)\nC AIRM real input total air mass (moles/m2) in cloudy air\nC PRATE1 real input precipitation rate (mm/hr)\nC TAUCLD real input cloud lifetime (s)\nC POLC real input ave vert conc incloud (moles sp/ mole air)\nC CEND real output ending incloud conc (moles/mole)\nC REMOV real output moles/m2 or mm*mol/lit scavenged\nC REMOVAC real output variable storing H+ deposition\nC ALFA0 real input scav coef for aitken aerosol number\nC ALFA2 real input scav coef for aitken aerosol surface area\nC ALFA3 real input scav coef for aitken aerosol mass\nC COSZ real input cosine solar zenith angle\nC-----------------------------------------------------------------------\n\n USE CGRID_SPCS ! CGRID mechanism species\n USE AERO_DATA ! aerosol shared parameters\n USE AQ_DATA ! aqueous chemistry shared parameters\n USE UTILIO_DEFN\n#ifdef sens\n USE DDM3D_DEFN, ONLY : NP, NPMAX, S_POLC, S_CEND, S_REMOV,\n & S_REMOVAC, S_HPWDEP, S_GAS, S_GASWDEP,\n & S_AEROSOL, S_AERWDEP\n#endif \n\n IMPLICIT NONE\n INCLUDE SUBST_CONST ! for PI\n \n CHARACTER( 120 ) :: XMSG = ' ' ! Exit status message\n\nC Parameters:\n\n INTEGER, SAVE :: MXSPCS ! Number of species in CGRID\n\n REAL, PARAMETER :: ONETHIRD = 1.0 / 3.0\n REAL, PARAMETER :: TWOTHIRDS = 2.0 / 3.0\n\nC Arguments:\n\n INTEGER, INTENT( IN ) :: JDATE ! current model date, coded YYYYDDD\n INTEGER, INTENT( IN ) :: JTIME ! current model time, coded HHMMSS\n\n REAL, INTENT( IN ) :: WTBAR ! total wat cont (kg/m2) int. thru cld\n REAL, INTENT( IN ) :: WCBAR ! liq water content of cloud (kg/m3)\n REAL, INTENT( IN ) :: TBARC ! mean cloud temp (K)\n REAL, INTENT( IN ) :: PBARC ! mean cloud pressure (Pa)\n REAL, INTENT( IN ) :: CTHK1 ! aq chem calc cloud thickness\n REAL, INTENT( IN ) :: AIRM ! total air mass (moles/m2) in cloudy air\n REAL, INTENT( IN ) :: PRATE1 ! storm rainfall rate (mm/hr)\n REAL, INTENT( IN ) :: TAUCLD ! cloud lifetime\n REAL, INTENT( IN ) :: POLC ( : ) ! avg vert conc incloud (moles/mole)\n REAL, INTENT( INOUT ) :: CEND ( : ) ! ending incloud conc (moles/mole)\n REAL, INTENT( INOUT ) :: REMOV( : ) ! moles/m2 or mm*mol/lit scavenged\n REAL, INTENT( INOUT ) :: REMOVAC ! variable storing H+ deposition\n REAL, INTENT( IN ) :: ALFA0 ! scav coef for aitken aerosol number\n REAL, INTENT( IN ) :: ALFA2 ! scav coef for aitken aerosol sfc area\n REAL, INTENT( IN ) :: ALFA3 ! scav coef for aitken aerosol mass\n REAL, INTENT( IN ) :: COSZ ! cosine solar zenith angle\n\nC Local Variables (scalars):\n\n LOGICAL, SAVE :: FIRSTIME = .TRUE. ! flag for first pass thru\n\n CHARACTER(16), SAVE :: PNAME = 'AQ_MAP' ! program name\n\n INTEGER IAER ! aerosol loop counter\n INTEGER IMODE ! aerosol mode loop counter\n INTEGER IGAS ! gas loop counter\n INTEGER ISRG ! surrogate loop counter\n INTEGER PNTR ! relative pointer variable\n INTEGER SPC ! liquid species loop counter\n INTEGER :: STAT\n\n REAL( 8 ) :: BETASO4\n REAL :: EALFA2T ! EXP( -ALFA2 * TAUCLD )\n REAL( 8 ) :: M3NEW( NMODES ) ! modal mass at time t\n REAL( 8 ) :: M3OLD( NMODES ) ! modal mass at time 0\n REAL( 8 ) :: Dens_wmean_old( NMODES ) ! concentration weighted molecular weight g/mol\n REAL( 8 ) :: Dens_wmean_new( NMODES ) ! concentration weighted molecular weight g/mol\n\n REAL :: HPWDEP ! hydrogen wet dep (mm mol/liter)\n REAL( 8 ), ALLOCATABLE, SAVE :: GAS ( : ) ! gas phase conc (mol/mol)\n REAL( 8 ), ALLOCATABLE, SAVE :: GASWDEP( : ) ! gas phase wet dep array (mm mol/liter)\n REAL( 8 ), ALLOCATABLE, SAVE :: AEROSOL( :, :) ! aerosol conc (mol/mol)\n REAL( 8 ), ALLOCATABLE, SAVE :: AERWDEP( :, :) ! aerosol wet dep array (mm mol/liter)\n REAL( 8 ) :: WSRGGAS( NGAS, MXSRG) ! weights for surrogate\n REAL( 8 ) :: WSRGAER( MAX_NAER, NMODES, MXSRG) ! weights for surrogate\n \n REAL( 8 ) :: FRACTR, FRACPOA, FRACPRI, FRACSOA\n INTEGER IAERI\n\nC External Functions:\n\n INTEGER, EXTERNAL :: INDEXN ! external func to get species pointers\n\n\n INTERFACE\n SUBROUTINE AQCHEM ( JDATE, JTIME, TEMP, PRES_PA, TAUCLD, PRCRATE,\n & WCAVG, WTAVG, AIRM, ALFA0, ALFA2, ALFA3, GAS,\n & AEROSOL, GASWDEP, AERWDEP, HPWDEP, BETASO4, COSZ,\n & FRACTR, FRACPOA, FRACPRI, FRACSOA ) \n INTEGER, INTENT( IN ) :: JDATE ! current model date, coded YYYYDDD\n INTEGER, INTENT( IN ) :: JTIME ! current model time, coded HHMMSS\n REAL, INTENT( IN ) :: AIRM ! total air mass in cloudy layers (mol/m2)\n REAL, INTENT( IN ) :: ALFA0 ! scav coef for aitken aerosol number\n REAL, INTENT( IN ) :: ALFA2 ! scav coef for aitken aerosol sfc area\n REAL, INTENT( IN ) :: ALFA3 ! scav coef for aitken aerosol mass\n REAL, INTENT( OUT ) :: HPWDEP ! hydrogen wet deposition (mm mol/liter)\n REAL( 8 ), INTENT( OUT ) :: BETASO4 \n REAL, INTENT( IN ) :: PRCRATE ! precip rate (mm/hr)\n REAL, INTENT( IN ) :: PRES_PA ! pressure (Pa)\n REAL, INTENT( IN ) :: TAUCLD ! timestep for cloud (s)\n REAL, INTENT( IN ) :: TEMP ! temperature (K)\n REAL, INTENT( IN ) :: WCAVG ! liquid water content (kg/m3)\n REAL, INTENT( IN ) :: WTAVG ! total water content (kg/m3)\n REAL( 8 ), INTENT( INOUT ) :: GAS ( : ) ! gas phase concentrations (mol/molV)\n REAL( 8 ), INTENT( INOUT ) :: AEROSOL( :,: ) ! aerosol concentrations (mol/molV)\n REAL( 8 ), INTENT( INOUT ) :: GASWDEP( : ) ! gas phase wet deposition array (mm mol/liter)\n REAL( 8 ), INTENT( INOUT ) :: AERWDEP( :,: ) ! aerosol wet deposition array (mm mol/liter)\n\t REAL( 8 ), INTENT( OUT ) :: FRACTR ! Fraction of J mode tracer scavenged from I mode\n\t REAL( 8 ), INTENT( OUT ) :: FRACPOA ! Fraction of J mode POA scavenged from I mode\n\t REAL( 8 ), INTENT( OUT ) :: FRACPRI ! Fraction of J mode PRI scavenged from I mode\n\t REAL( 8 ), INTENT( OUT ) :: FRACSOA ! Fraction of J mode SOA scavenged from I mode\n\t REAL, INTENT( IN ) :: COSZ ! cosine solar zenith angle\n END SUBROUTINE AQCHEM\n END INTERFACE \n\nC-----------------------------------------------------------------------\n\nC...Initialization\nC... event-statistics variables.\n\n IF ( FIRSTIME ) THEN\n\n FIRSTIME = .FALSE.\n\n CALL AQ_DATA_INIT() \n\t\n ALLOCATE ( GAS ( NGAS ),\n & GASWDEP( NGAS ),\n & AEROSOL( NAER, NMODES),\n & AERWDEP( NAER, NMODES),\n & STAT = STAT)\n IF (STAT .NE. 0) THEN\n XMSG = 'Memory allocation failure'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n#ifdef sens\nC... Allocate sensitivity arrays\n ALLOCATE ( S_HPWDEP( NPMAX ), STAT = STAT )\n IF ( STAT .NE. 0 ) THEN\n XMSG = 'Failure allocating S_HPWDEP'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n ALLOCATE ( S_GAS( NPMAX,NGAS ), S_GASWDEP( NPMAX,NGAS ), STAT = STAT )\n IF ( STAT .NE. 0 ) THEN\n XMSG = 'Failure allocating S_GAS or S_GASWDEP'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n ALLOCATE ( S_AEROSOL( NPMAX,NAER,NMODES ), S_AERWDEP( NPMAX,NAER,NMODES ), STAT = STAT )\n IF ( STAT .NE. 0 ) THEN\n XMSG = 'Failure allocating S_AEROSOL or S_AERWDEP'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n#endif\n\n END IF\n\nC...for subsequent calls, check to make sure some surrogates were\nC... specified, otherwise there is no need to perform aqueous chemistry\n\n IF ( SIZE( CGRID2AQ_MAP ) .EQ. 0 ) THEN\n RETURN\n END IF\n\nC...load gas-phase concentrations\n\n GAS = 0.0D0\n WSRGGAS = 0.0D0\n GASWDEP = 0.0D0\n\n#ifdef sens\n S_GAS = 0.0D0\n S_GASWDEP = 0.0D0\n#endif\n\n DO IGAS = 1, NGAS\n\n DO ISRG = 1, NSRGGAS( IGAS )\n PNTR = CGRID2AQ_MAP( LSRGGAS( IGAS, ISRG ) )\n GAS( IGAS ) = GAS( IGAS ) + REAL( POLC( PNTR ), 8 )\n#ifdef sens\n DO NP = 1, NPMAX\n S_GAS( NP, IGAS ) = S_GAS( NP, IGAS ) + S_POLC ( NP, PNTR )\n ENDDO\n#endif\n END DO\n\n IF ( GAS( IGAS ) .GT. 0.0D0 ) THEN\n DO ISRG = 1, NSRGGAS( IGAS )\n PNTR = CGRID2AQ_MAP( LSRGGAS( IGAS, ISRG ) )\n WSRGGAS( IGAS, ISRG ) = REAL( POLC( PNTR ), 8 ) / GAS( IGAS )\n END DO\n ELSE\n DO ISRG = 1, NSRGGAS( IGAS )\n WSRGGAS( IGAS, ISRG ) = 1.0D0 / REAL( NSRGGAS( IGAS ), 8 )\n END DO\n END IF\n\nC...set background values for gases if no surrogates were specified\n\n IF ( NSRGGAS( IGAS ) .EQ. 0 ) THEN\n GAS( IGAS ) = REAL( SRGGAS( IGAS )%BACKGND, 8 ) * 1.0D-6\n#ifdef sens\n DO NP =1, NPMAX\n S_GAS( NP, IGAS ) = 0.0D0\n ENDDO\n#endif\n END IF\n\n END DO\n\nC...load aerosol concentrations\n\n AEROSOL = 0.0D0\n WSRGAER = 0.0D0\n AERWDEP = 0.0D0\n\n#ifdef sens\n S_AEROSOL = 0.0D0\n S_AERWDEP = 0.0D0\n#endif\n\n DO IAER = 1, NAER\n DO IMODE = 1, NMODES\n\n IF ( SRGAER( IAER )%NAME( IMODE ) .NE. ' ' ) THEN\n AEROSOL( IAER, IMODE ) = 0.0D0\n#ifdef sens\n DO NP =1, NPMAX\n S_AEROSOL( NP, IAER, IMODE ) = 0.0D0\n ENDDO\n#endif\n DO ISRG = 1, NSRGAER( IAER, IMODE )\n PNTR = CGRID2AQ_MAP( LSRGAER( IAER, IMODE, ISRG ) )\n AEROSOL( IAER, IMODE ) = AEROSOL( IAER, IMODE ) + REAL( POLC( PNTR ), 8 )\n#ifdef sens\n DO NP = 1, NPMAX\n S_AEROSOL( NP, IAER, IMODE ) = S_AEROSOL( NP, IAER, IMODE ) + S_POLC( NP, PNTR )\n ENDDO\n#endif\n END DO\n\n IF ( AEROSOL( IAER, IMODE ) .GT. 0.0D0 ) THEN\n DO ISRG = 1, NSRGAER( IAER, IMODE )\n PNTR = CGRID2AQ_MAP( LSRGAER( IAER, IMODE, ISRG ) )\n WSRGAER( IAER, IMODE, ISRG ) = REAL( POLC( PNTR ), 8 )\n & / REAL( AEROSOL( IAER, IMODE ), 8 )\n END DO\n ELSE\n DO ISRG = 1, NSRGAER( IAER, IMODE )\n WSRGAER( IAER, IMODE, ISRG ) = 1.0D0 / REAL( NSRGAER( IAER, IMODE ), 8 )\n END DO\n END IF\n\nC...set background values for aerosols if no surrogates were specified\n\n IF ( NSRGAER( IAER, IMODE ) .EQ. 0 ) THEN\n IF ( SRGAER( IAER )%MOLWT .GT. 0.0 ) THEN\n AEROSOL( IAER, IMODE ) = REAL( SRGAER( IAER )%BACKGND * 1.0E-6 * CTHK1, 8 )\n & / REAL( SRGAER( IAER )%MOLWT * AIRM, 8 )\n ELSE\n AEROSOL( IAER, IMODE ) = REAL( SRGAER( IAER )%BACKGND * CTHK1 / AIRM, 8 )\n END IF\n#ifdef sens\n DO NP = 1, NPMAX\n S_AEROSOL( NP, IAER, IMODE ) = 0.0D0\n ENDDO\n#endif \n END IF\n END IF\n END DO\n END DO\n\n\nC *** extract grid cell concentrations of aero species from CGRID\nC into aerospc_conc in aero_data module\n\n#ifdef sens\n CALL EXTRACT_AERO ( POLC, .FALSE., REAL(S_POLC,4), .TRUE. )\n#else\n CALL EXTRACT_AERO ( POLC, .FALSE. )\n#endif\n\nC *** Calculate pseudo aerosol 3rd moment (ignore factors that cancel in the division)\nC ... M3OLD is in units of m3/kmol_air\n M3OLD = 0.0\n Dens_wmean_old = 0.0\n DO IMODE = 2, N_MODE\n\n DO SPC = 1, N_AEROSPC\n IF ( AEROSPC( SPC )%TRACER ) CYCLE \n IF ( ( AEROSPC( SPC )%NAME( IMODE ) .NE. ' ' ) .AND.\n & ( .NOT. AEROSPC( SPC )%NO_M2WET ) ) THEN\n M3OLD( IMODE ) = M3OLD( IMODE )\n & + ( AEROSPC_CONC( SPC,IMODE ) * AEROSPC_MW( SPC )\n & / AEROSPC( SPC )%DENSITY )\n Dens_wmean_old( IMODE ) = Dens_wmean_old( IMODE ) \n & + AEROSPC_CONC( SPC,IMODE ) * AEROSPC_MW( SPC )\n END IF\n END DO\n END DO\n Dens_wmean_old(2:N_MODE) = Dens_wmean_old(2:N_MODE) / M3OLD(2:N_MODE)\n\nC...perform aqueous-phase chemistry calculations\n\n CALL AQCHEM ( JDATE, JTIME, TBARC, PBARC, TAUCLD, PRATE1,\n & WCBAR, WTBAR, AIRM, ALFA0, ALFA2, ALFA3, GAS,\n & AEROSOL, GASWDEP, AERWDEP, HPWDEP, BETASO4, COSZ,\n & FRACTR, FRACPOA, FRACPRI, FRACSOA )\n\nC... compute the scavenging coefficient\n EALFA2T = EXP( -ALFA2 * TAUCLD )\n\nC...store the amount of hydrogen deposition\n\n REMOVAC = HPWDEP\n#ifdef sens\n DO NP = 1, NPMAX\n S_REMOVAC( NP ) = S_HPWDEP( NP )\n END DO\n#endif\n\nC...Now, re-apportion mass back into cend/remov (cgrid-type) array\n\n DO IGAS = 1, NGAS\n DO ISRG = 1, NSRGGAS( IGAS )\n PNTR = CGRID2AQ_MAP( LSRGGAS( IGAS, ISRG ) )\n CEND ( PNTR ) = GAS ( IGAS ) * WSRGGAS( IGAS, ISRG )\n REMOV( PNTR ) = GASWDEP( IGAS ) * WSRGGAS( IGAS, ISRG )\n#ifdef sens\n DO NP = 1, NPMAX\n S_CEND ( NP, PNTR ) = S_GAS ( NP, IGAS ) * WSRGGAS( IGAS, ISRG )\n S_REMOV( NP, PNTR ) = S_GASWDEP( NP, IGAS ) * WSRGGAS( IGAS, ISRG )\n ENDDO\n#endif\n END DO\n END DO\n\n DO IAER = 1, NAER\n DO IMODE = 1, NMODES\n\t \n\t IF(IAER .eq. LTRACER_ACC) THEN\n\t IAERI = LTRACER_AKN \n ELSE\n\t IAERI = IAER\n END IF\n\t \n IF( SRGAER( IAER )%NAME( IMODE ) .NE. ' ' ) THEN\n DO ISRG = 1, NSRGAER( IAER, IMODE )\n PNTR = CGRID2AQ_MAP( LSRGAER( IAER, IMODE, ISRG ) )\n CEND ( PNTR ) = AEROSOL( IAER, IMODE ) * WSRGAER( IAER, IMODE, ISRG )\n REMOV( PNTR ) = AERWDEP( IAER, IMODE ) * WSRGAER( IAER, IMODE, ISRG )\n#ifdef sens\n DO NP = 1, NPMAX\n S_CEND ( NP, PNTR ) = S_AEROSOL( NP, IAER, IMODE ) * WSRGAER( IAER, IMODE, ISRG )\n S_REMOV( NP, PNTR ) = S_AERWDEP( NP, IAER, IMODE ) * WSRGAER( IAER, IMODE, ISRG )\n ENDDO\n#endif\n\n\t IF( IMODE .EQ. 2 ) THEN\n\t\t\t\n IF( IAER .EQ. LPOA ) THEN\n\t\t IF( AKNSRG( IAER,ISRG ) .GT. 0 ) THEN\n\t\t CEND ( PNTR ) = (1.d0 - FRACPOA) * AEROSOL( IAER, IMODE ) * \n & WSRGAER( IAER, IMODE, ISRG ) + FRACPOA * \n & AEROSOL( IAER, IMODE ) * WSRGAER( IAERI, 1, AKNSRG(IAER,ISRG) )\n \n REMOV( PNTR ) = (1.d0 - FRACPOA) * AERWDEP( IAER, IMODE ) * \n & WSRGAER( IAER, IMODE, ISRG ) + FRACPOA * \n & AERWDEP( IAER, IMODE ) * WSRGAER( IAERI, 1, AKNSRG(IAER,ISRG) )\n#ifdef sens\n DO NP = 1, NPMAX\n S_CEND ( NP, PNTR ) = (1.d0 - FRACPOA) * S_AEROSOL( NP, IAER, IMODE ) *\n & WSRGAER( IAER, IMODE, ISRG ) + FRACPOA * \n & S_AEROSOL( NP, IAER, IMODE ) * WSRGAER( IAERI, 1, AKNSRG(IAER,ISRG) )\n \n S_REMOV( NP, PNTR ) = (1.d0 - FRACPOA) * S_AERWDEP( NP, IAER, IMODE ) * \n & WSRGAER( IAER, IMODE, ISRG ) + FRACPOA * \n & S_AERWDEP( NP, IAER, IMODE ) * WSRGAER( IAERI, 1, AKNSRG(IAER,ISRG) )\n ENDDO\n#endif\n ELSE\n\t\t \n\t\t CEND ( PNTR ) = (1.d0 - FRACPOA) * AEROSOL( IAER, IMODE ) * \n & WSRGAER( IAER, IMODE, ISRG ) \n \n REMOV( PNTR ) = (1.d0 - FRACPOA) * AERWDEP( IAER, IMODE ) * \n & WSRGAER( IAER, IMODE, ISRG ) \n#ifdef sens\n DO NP = 1, NPMAX\n S_CEND ( NP, PNTR ) = (1.d0 - FRACPOA) * S_AEROSOL( NP, IAER, IMODE ) * \n & WSRGAER( IAER, IMODE, ISRG ) \n \n S_REMOV( NP, PNTR ) = (1.d0 - FRACPOA) * S_AERWDEP( NP, IAER, IMODE ) * \n & WSRGAER( IAER, IMODE, ISRG ) \n END DO\n#endif\n\t\t END IF\n\t\t \n ELSE IF ( IAER .EQ. LPRI ) THEN\n\t\t IF(AKNSRG(IAER,ISRG) .GT. 0) THEN\n\t\t CEND ( PNTR ) = (1.d0 - FRACPRI) * AEROSOL( IAER, IMODE ) * \n & WSRGAER( IAER, IMODE, ISRG ) + FRACPRI * \n & AEROSOL( IAER, IMODE ) * WSRGAER( IAERI, 1, AKNSRG(IAER,ISRG) )\n \n REMOV( PNTR ) = (1.d0 - FRACPRI) * AERWDEP( IAER, IMODE ) * \n & WSRGAER( IAER, IMODE, ISRG ) + FRACPRI * \n & AERWDEP( IAER, IMODE ) * WSRGAER( IAERI, 1, AKNSRG(IAER,ISRG) )\n#ifdef sens\n DO NP = 1, NPMAX\n S_CEND ( NP, PNTR ) = (1.d0 - FRACPRI) * S_AEROSOL( NP, IAER, IMODE ) * \n & WSRGAER( IAER, IMODE, ISRG ) + FRACPRI * \n & S_AEROSOL( NP, IAER, IMODE ) * WSRGAER( IAERI, 1, AKNSRG(IAER,ISRG) )\n \n S_REMOV( NP, PNTR ) = (1.d0 - FRACPRI) * S_AERWDEP( NP, IAER, IMODE ) * \n & WSRGAER( IAER, IMODE, ISRG ) + FRACPRI * \n & S_AERWDEP( NP, IAER, IMODE ) * WSRGAER( IAERI, 1, AKNSRG(IAER,ISRG) )\n END DO\n#endif\n\t\t ELSE\n\t\t \n\t\t CEND ( PNTR ) = (1.d0 - FRACPRI) * AEROSOL( IAER, IMODE ) * \n & WSRGAER( IAER, IMODE, ISRG ) \n \n REMOV( PNTR ) = (1.d0 - FRACPRI) * AERWDEP( IAER, IMODE ) * \n & WSRGAER( IAER, IMODE, ISRG ) \n#ifdef sens\n DO NP = 1, NPMAX\n S_CEND ( NP, PNTR ) = (1.d0 - FRACPRI) * S_AEROSOL( NP, IAER, IMODE ) * \n & WSRGAER( IAER, IMODE, ISRG ) \n \n S_REMOV( NP, PNTR ) = (1.d0 - FRACPRI) * S_AERWDEP( NP, IAER, IMODE ) * \n & WSRGAER( IAER, IMODE, ISRG ) \n END DO\n#endif\n\t\t END IF\n\t\t \n ELSE IF ( IAER .EQ. LTRACER_ACC ) THEN\n\t\t \n\t\t IF(AKNSRG(IAER,ISRG) .GT. 0) THEN\n\t\t CEND ( PNTR ) = (1.d0 - FRACTR) * AEROSOL( IAER, IMODE ) * \n & WSRGAER( IAER, IMODE, ISRG ) + FRACTR * \n & AEROSOL( IAER, IMODE ) * WSRGAER( IAERI, 1, AKNSRG(IAER,ISRG) )\n \n REMOV( PNTR ) = (1.d0 - FRACTR) * AERWDEP( IAER, IMODE ) * \n & WSRGAER( IAER, IMODE, ISRG ) + FRACTR * \n & AERWDEP( IAER, IMODE ) * WSRGAER( IAERI, 1, AKNSRG(IAER,ISRG) )\n#ifdef sens\n DO NP = 1, NPMAX\n S_CEND ( NP, PNTR ) = (1.d0 - FRACTR) * S_AEROSOL( NP, IAER, IMODE ) * \n & WSRGAER( IAER, IMODE, ISRG ) + FRACTR * \n & S_AEROSOL( NP,IAER, IMODE ) * WSRGAER( IAERI, 1, AKNSRG(IAER,ISRG) )\n \n S_REMOV( NP, PNTR ) = (1.d0 - FRACTR) * S_AERWDEP( NP, IAER, IMODE ) * \n & WSRGAER( IAER, IMODE, ISRG ) + FRACTR * \n & S_AERWDEP( NP, IAER, IMODE ) * WSRGAER( IAERI, 1, AKNSRG(IAER,ISRG) )\n END DO\n#endif \n ELSE\n\t\t \n\t\t CEND ( PNTR ) = (1.d0 - FRACTR) * AEROSOL( IAER, IMODE ) * \n & WSRGAER( IAER, IMODE, ISRG ) \n \n REMOV( PNTR ) = (1.d0 - FRACTR) * AERWDEP( IAER, IMODE ) * \n & WSRGAER( IAER, IMODE, ISRG ) \n#ifdef sens\n DO NP = 1, NPMAX\n S_CEND ( NP, PNTR ) = (1.d0 - FRACTR) * S_AEROSOL( NP, IAER, IMODE ) * \n & WSRGAER( IAER, IMODE, ISRG ) \n \n S_REMOV( NP,PNTR ) = (1.d0 - FRACTR) * S_AERWDEP( NP, IAER, IMODE ) * \n & WSRGAER( IAER, IMODE, ISRG ) \n END DO\n#endif \n END IF\n\t\t \n\t\t ELSE IF ( IAER .EQ. LSOA ) THEN\n\t\t \n\t\t IF(AKNSRG(IAER,ISRG) .GT. 0) THEN\n\t\t CEND ( PNTR ) = (1.d0 - FRACSOA) * AEROSOL( IAER, IMODE ) * \n & WSRGAER( IAER, IMODE, ISRG ) + FRACSOA * \n & AEROSOL( IAER, IMODE ) * WSRGAER( IAERI, 1, AKNSRG(IAER,ISRG) )\n \n REMOV( PNTR ) = (1.d0 - FRACSOA) * AERWDEP( IAER, IMODE ) * \n & WSRGAER( IAER, IMODE, ISRG ) + FRACSOA * \n & AERWDEP( IAER, IMODE ) * WSRGAER( IAERI, 1, AKNSRG(IAER,ISRG) )\n#ifdef sens\n DO NP = 1, NPMAX\n S_CEND ( NP,PNTR ) = (1.d0 - FRACSOA) * S_AEROSOL( NP, IAER, IMODE ) * \n & WSRGAER( IAER, IMODE, ISRG ) + FRACSOA * \n & S_AEROSOL( NP, IAER, IMODE ) * WSRGAER( IAERI, 1, AKNSRG(IAER,ISRG) )\n \n S_REMOV( NP,PNTR ) = (1.d0 - FRACSOA) * S_AERWDEP( NP, IAER, IMODE ) * \n & WSRGAER( IAER, IMODE, ISRG ) + FRACSOA * \n & S_AERWDEP( NP, IAER, IMODE ) * WSRGAER( IAERI, 1, AKNSRG(IAER,ISRG) )\n END DO \n#endif \n ELSE\n\t\t \n\t\t CEND ( PNTR ) = (1.d0 - FRACSOA) * AEROSOL( IAER, IMODE ) * \n & WSRGAER( IAER, IMODE, ISRG ) \n \n REMOV( PNTR ) = (1.d0 - FRACSOA) * AERWDEP( IAER, IMODE ) * \n & WSRGAER( IAER, IMODE, ISRG ) \n#ifdef sens\n DO NP = 1, NPMAX\n S_CEND ( NP, PNTR ) = (1.d0 - FRACSOA) * S_AEROSOL( NP, IAER, IMODE ) * \n & WSRGAER( IAER, IMODE, ISRG ) \n \n S_REMOV( NP, PNTR ) = (1.d0 - FRACSOA) * S_AERWDEP( NP, IAER, IMODE ) * \n & WSRGAER( IAER, IMODE, ISRG ) \n END DO\n#endif \n END IF \n END IF \n\t END IF \n\ncifdef sens\nc DO NP = 1, NPMAX\nc S_CEND ( NP, PNTR ) = S_AEROSOL( NP, IAER, IMODE ) * WSRGAER( IAER, IMODE, ISRG )\nc S_REMOV( NP, PNTR ) = S_AERWDEP( NP, IAER, IMODE ) * WSRGAER( IAER, IMODE, ISRG )\t\t\t \nc ENDDO\ncendif\n END DO\n END IF \n END DO\n END DO \n\nC *** extract grid cell concentrations of aero species from CGRID\nC into aerospc_conc in aero_data module\n\n#ifdef sens\n CALL EXTRACT_AERO ( CEND, .FALSE., REAL(S_CEND,4), .TRUE. )\n#else\n CALL EXTRACT_AERO ( CEND, .FALSE. )\n#endif\n\nC *** Calculate pseudo aerosol 3rd moment (ignore factors that cancel in the division)\nC ... M3NEW is in units of m3/kmol_air\n M3NEW = 0.0\n Dens_wmean_new = 0.0\n DO IMODE = 2, NMODES\n\n DO SPC = 1, N_AEROSPC\n IF ( AEROSPC( SPC )%TRACER ) CYCLE \n IF ( ( AEROSPC( SPC )%NAME( IMODE ) .NE. ' ' ) .AND.\n & ( .NOT. AEROSPC( SPC )%NO_M2WET ) ) THEN\n M3NEW( IMODE ) = M3NEW( IMODE )\n & + ( AEROSPC_CONC( SPC,IMODE ) * AEROSPC_MW( SPC )\n & / AEROSPC( SPC )%DENSITY )\n Dens_wmean_new( IMODE ) = Dens_wmean_new( IMODE ) \n & + AEROSPC_CONC( SPC,IMODE ) * AEROSPC_MW( SPC )\n END IF\n END DO\n END DO\n\nC...Update aerosol number \n CEND( AERONUM_MAP( 1 ) ) = MAX( CEND( AERONUM_MAP( 1 ) ), aeromode_minNum( 1 )/ (AIRM/CTHK1) )\n CEND( AERONUM_MAP( 2 ) ) = MAX( CEND( AERONUM_MAP( 2 ) ), aeromode_minNum( 2 )/ (AIRM/CTHK1) )\n CEND( AERONUM_MAP( 3 ) ) = MAX( CEND( AERONUM_MAP( 3 ) ), aeromode_minNum( 3 )/ (AIRM/CTHK1) )\n\n#ifdef sens\nC... Remove number sensitivity calculations for now\n S_CEND( :, AERONUM_MAP( 1 ) ) = 0.0\n S_CEND( :, AERONUM_MAP( 2 ) ) = 0.0\n S_CEND( :, AERONUM_MAP( 3 ) ) = 0.0\n#endif\n\nC...check for minimums\nC...ug/m3*m3/mol_air*1e3 mol_air/kmol_air*1e-9kg/ug*m3/kg=> m3/kmol_air\n DO IMODE = 2, NMODES\n IF ( M3NEW( IMODE ) .GT. 0.0D0 ) THEN ! Dens_wmean_new will be .GT. 0 also\n Dens_wmean_new( IMODE ) = Dens_wmean_new( IMODE ) / M3NEW( IMODE )\n M3OLD( IMODE ) = MAX( M3OLD( IMODE ), CONMIND * 1.0d-6 / ( Dens_wmean_old( IMODE ) * AIRM / CTHK1 ) )\n M3NEW( IMODE ) = MAX( M3NEW( IMODE ), CONMIND * 1.0d-6 / ( Dens_wmean_new( IMODE ) * AIRM / CTHK1 ) )\n END IF\n END DO\n\nC...Update surface area\n\n CEND( AEROSRF_MAP( 1 ) ) = POLC( AEROSRF_MAP( 1 ) ) * EALFA2T\n CEND( AEROSRF_MAP( 1 ) ) = MAX( CEND( AEROSRF_MAP( 1 ) ), aeromode_minM2( 1 ) * PI / (AIRM/CTHK1) )\n \n CEND( AEROSRF_MAP( 2 ) ) = POLC( AEROSRF_MAP( 2 ) )\n & * EXP( -BETASO4 * TAUCLD * ONETHIRD )\n & * ( M3NEW( 2 ) / M3OLD( 2 ) ) ** TWOTHIRDS\n CEND( AEROSRF_MAP( 2 ) ) = MAX( CEND( AEROSRF_MAP( 2 ) ), aeromode_minM2( 2 ) * PI / (AIRM/CTHK1) )\n\n CEND( AEROSRF_MAP( 3 ) ) = POLC( AEROSRF_MAP( 3 ) )\n & * ( CEND( AERONUM_MAP( 3 ) )\n & / POLC( AERONUM_MAP( 3 ) ) ) ** ONETHIRD\n & * ( M3NEW( 3 ) / M3OLD( 3 ) ) ** TWOTHIRDS\n CEND( AEROSRF_MAP( 3 ) ) = MAX( CEND( AEROSRF_MAP( 3 ) ), aeromode_minM2( 3 ) * PI / (AIRM/CTHK1) )\n\n#ifdef sens\nC... Remove surface area sensitivity calculations for now\n S_CEND( :, AEROSRF_MAP( 1 ) ) = 0.0\n S_CEND( :, AEROSRF_MAP( 2 ) ) = 0.0\n S_CEND( :, AEROSRF_MAP( 3 ) ) = 0.0\n#endif\n\n RETURN\n END\n\n" }, { "path": "CCTM/src/cloud/acm_ae6/aqchem.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE AQCHEM ( JDATE, JTIME, TEMP, PRES_PA, TAUCLD, PRCRATE,\n & WCAVG, WTAVG, AIRM, ALFA0, ALFA2, ALFA3, GAS,\n & AEROSOL, GASWDEP, AERWDEP, HPWDEP, BETASO4, COSZ,\n & FRACTR, FRACPOA, FRACPRI, FRACSOA )\n\nC-----------------------------------------------------------------------\nC Description:\nC Compute concentration changes in cloud due to aqueous chemistry,\nC scavenging and wet deposition amounts.\nC\nC Revision History:\nC No Date Who What\nC -- -------- --- -----------------------------------------\nC 0 / /86 CW BEGIN PROGRAM - Walceks's Original Code\nC 1 / /86 RB INCORPORATE INTO RADM\nC 2 03/23/87 DH REFORMAT\nC 3 04/11/88 SJR STREAMLINED CODE - ADDED COMMENTS\nC 4 08/27/88 SJR COMMENTS, MODIFIED FOR RPM\nC 4a 03/15/96 FSB Scanned hard copy to develop Models3\nC Version.\nC 5 04/24/96 FSB Made into Models3 Format\nC 6 02/18/97 SJR Revisions to link with Models3\nC 7 08/12/97 SJR Revised for new concentration units (moles/mole)\nC and new treatment of nitrate and nitric acid\nC 8 01/15/98 sjr revised to add new aitken mode scavenging\nC and aerosol number scavenging\nC 9 12/15/98 David Wong at LM:\nC -- change division of XL, TEMP to multiplication of XL, TEMP\nC reciprocal, respectively\nC -- change / TOTOX / TSIV to / ( TOTOX * TSIV )\nC 10 03/18/99 David Wong at LM:\nC -- removed \"* 1.0\" redundant calculation at TEMP1 calculation\nC 11 04/27/00 sjr Added aerosol surface area as modeled species\nC 12 12/02 sjr changed calls to HLCONST and updated the dissociation\nC constants\nC 13 06/26/03 sjr revised calculations of DTW based on CMAS website\nC discussions\nC 14 08/05/03 sjr revision made to the coarse aerosol number washout\nC 15 04/20/05 us revisions to add sea salt species in the fine and\nC coarse aerosol modes, and HCl dissolution/dissociation\nC 08/01/05 sjr Modified for sulfate tracking model\nC 16 10/13/05 sjr fixed bug in the integration time step calculation\nC (reported by Bonyoung Koo)\nC 17 03/01/06 sjr added elemental carbon aerosol; organic aerosols\nC replaced with primary, secondary biogenic, and\nC secondary anthropogenic; fixed 3rd moment calc to\nC include EC and primary organics (not secondary);\nC re-arranged logic for setting Cl & Na ending conc;\nC added pointers/indirect addressing for arrays WETDEP\nC and LIQUID\nC 16 03/30/07 sjr Limit integration timestep by cloud washout time\nC 17 04/10/07 sjr increased loop limits as follows: I20C <10000,\nC I7777C <10000, I30C <10000, ICNTAQ <60000\nC 18 01/10/07 agc added organic chemistry for GLY and MGLY oxidation\nC 19 09/10/07 sln updated SOA species list for AE5\nC 20 01/29/08 agc updated DOHDT calculation\nC 21 04/14/08 jtk added coding for coarse NH4 and scavenging of\nc coarse surface area\nC 22 05/20/08 agc for CB05, use the Henry's Law constant for glyoxal\nC as a surrogate for methyl glyoxal\nC 23 04/15/09 sjr& Several changes made to improve mass conservation in the\nC agc solver. (1) OH concentration is now considered to be\nC steady state; (2) only allow sulfur oxidation to affect\nC time step; (3) implemented mass conservation checks -\nC limit oxidation rates by the available mass for the\nC specified timestep.\nC 10 Oct 10 J.Young: update to use aero_reeng by Steve Howard, Prakash Bhave,\nC Jeff Young, Sergey Napelenok, and Shawn Roselle\nC 01 Mar 11 S.Roselle: replaced I/O API include files with UTILIO_DEFN\nC 9 Mar 11 S.Napelenok: update for AE6 - pH calculation now expanded to\nC include Ca Mg K SOIL CORS SEAS\nC 23 May 11 G.Sarwar: update S(VI) production rate via H2O2, O3, MHP, PAA\nC pathways (Jacobson 1997)\nC 23 May 11 G.Sarwar: update S(VI) production rate via O2 pathway (metal\nC catalysis) (Martin and Goodman, 1991)\nC 01 Jul 11 G.Sarwar: Incorporate day and night dependent Fe III oxidation\nC state (Alexander et al., 2009)\nC 12 Aug 11 G.Sarwar: Revise Fe and Mn solubility based on\nC Alexander et al., 2009\nC\nC 8 Mar 12 J.Bash: FE_OX and MN_OX were calculated from FE and MN before\nC a floor value of 0.0 was established for these\nC concentrations sometimes resulting in negative\nC concentrations and model crashes. The code used to\nC estimate FE_OX and MN_OX was moved to be after a floor\nC value for FE and MN was set. Also the washout rate was\nC removed from the calculation of the estimate for doubling\nC the time step based on sulfur oxidized < 5%.\nC 28 Nov 12 G.Sarwar: Sulfate inhibition effect is implemented in the metal catalysis pathway\nC 07 Jul 14 B.Hutzell: replaced mechanism include file(s) with fortran module\nC 12 Feb 15 B.Hutzell: reduced number of exp(...) calculations for scavenging aitken\nC aerosols to improve efficiency\nC 15 Jun 15 J.Young: Fixed bug found by Martin Otte in calculations for scavenging\nC aitken aerosols\nC 15 Apr 16 J.Young: Use aerosol factors from AERO_DATA module named constants\nC 19 Apr 18 K.Fahey: For species with both gas phase and coarse mode aerosol components, avoid\nC introducing extra mass when the coarse mode concentration is greater than \nC the total amount left in the aqueous phase after redistribution between the \nC phases. \nC 26 Nov 18 S.Napelenok: ISAM implementation\nC 31 Dec 19 S.Napelenok: DDM-3D implementation for version 5.3.1\n\nC\nC References:\nC Walcek & Taylor, 1986, A theoretical Method for computing\nC vertical distributions of acidity and sulfate within cumulus\nC clouds, J. Atmos Sci., Vol. 43, no. 4 pp 339 - 355\nC Carlton, A.G., B.J. Turpin, K.E. Altieri, S.P. Seitzinger, R. Mathur,\nC S.J. Roselle, and R.J. Weber, CMAQ Model Performance Enhanced When\nC In-Cloud Secondary Organic Aerosol is Included: Comparison of Organic\nC Carbon Predictions with Measurements, Environ. Sci. Technol., 42(23),\nC 8798-8802, 2008.\nC Jacobson, M., Development and application of a new air pollution modeling\nC system II. Aerosol module structure and design, Atmospheric\nC Environment, 31, 131-144, 1997\nC Martin, R.L. and T.W. Good, catalyzed oxidation of sulfur dioxide in\nC solution: the iron-manganese synercism, Atmospheric Environment, 25A,\nC 2395-2399, 1991\nC Alexander, B., R.J. Park, D.J. jacob, S. Gong, Transition metal-catalyzed\nC oxidation of atmospheric sulfur: global implications for the sulfur\nC budget, GRL, 114, D02309, 2009\n\nC Called by: AQMAP\n\nC Calls the following subroutines: none\n\nC Calls the following functions: HLCONST\n\nC Arguments Type I/O Description\nC --------- ---- ------------ --------------------------------\nC GAS(ngas) real input&output Concentration for species i=1,15\nC GASWDEP(ngas) real output wet deposition for species\n\nC AEROSOL(naer,nmodes) real input&output Concentration for species i=1,51\nC AERWDEP(naer,nmodes) real output wet deposition for species\nC-----------------------------------------------------------------------\n\n USE RXNS_DATA ! chemical mechanism data\n USE AQ_DATA ! doesn't inherit; gets only n_aerospc, conmin from AERO_DATA\n USE AERO_DATA\n USE UTILIO_DEFN\n#ifdef isam\n USE SA_DEFN, ONLY: DEPSUM_SAVE, DS4_SAVE, REMOV_SAVE,\n & DEPSUM_AORGC_SAVE, DGLY1_SAVE, DMGLY1_SAVE,\n & REMOV_AORGC_SAVE\n#endif\n\n#ifdef sens\n USE DDM3D_DEFN, ONLY : NP, NPMAX, S_POLC, S_CEND, S_REMOV,\n & S_REMOVAC, S_HPWDEP, S_GAS, S_GASWDEP,\n & S_AEROSOL, S_AERWDEP, IHIGH, IPT\n#endif\n\n IMPLICIT NONE\n\n INCLUDE SUBST_CONST ! constants\n\n CHARACTER( 120 ) :: XMSG = ' ' ! Exit status message\n\nC...........Parameters:\n\n INTEGER, PARAMETER :: NUMOX = 5 ! number of oxidation reactions\n\n REAL( 8 ), PARAMETER :: H2ODENS = 1000.0D0 ! water density at 20 C and 1 ATM (kg/m3)\n REAL( 8 ), PARAMETER :: SEC2HR = 1.0D0 / 3600.0D0 ! convert seconds to hours\n REAL( 8 ), PARAMETER :: SCVEFF = 100.0D0 ! Scavenging efficiency (%)\n\nC...........Arguments:\n\n INTEGER, INTENT( IN ) :: JDATE ! current model date, coded YYYYDDD\n INTEGER, INTENT( IN ) :: JTIME ! current model time, coded HHMMSS\n\n REAL, INTENT( IN ) :: AIRM ! total air mass in cloudy layers (mol/m2)\n REAL, INTENT( IN ) :: ALFA0 ! scav coef for aitken aerosol number\n REAL, INTENT( IN ) :: ALFA2 ! scav coef for aitken aerosol sfc area\n REAL, INTENT( IN ) :: ALFA3 ! scav coef for aitken aerosol mass\n REAL, INTENT( OUT ) :: HPWDEP ! hydrogen wet deposition (mm mol/liter)\n REAL( 8 ), INTENT( OUT ) :: BETASO4\n REAL, INTENT( IN ) :: PRCRATE ! precip rate (mm/hr)\n REAL, INTENT( IN ) :: PRES_PA ! pressure (Pa)\n REAL, INTENT( IN ) :: TAUCLD ! timestep for cloud (s)\n REAL, INTENT( IN ) :: TEMP ! temperature (K)\n REAL, INTENT( IN ) :: WCAVG ! liquid water content (kg/m3)\n REAL, INTENT( IN ) :: WTAVG ! total water content (kg/m3)\n REAL( 8 ), INTENT( INOUT ) :: GAS ( : ) ! gas phase concentrations (mol/molV)\n REAL( 8 ), INTENT( INOUT ) :: AEROSOL( :,: ) ! aerosol concentrations (mol/molV)\n REAL( 8 ), INTENT( INOUT ) :: GASWDEP( : ) ! gas phase wet deposition array (mm mol/liter)\n REAL( 8 ), INTENT( INOUT ) :: AERWDEP( :,: ) ! aerosol wet deposition array (mm mol/liter)\n REAL, INTENT( IN ) :: COSZ ! cosine solar zenith angle\n REAL( 8 ), INTENT( OUT ) :: FRACTR ! Fraction of J mode tracer scavenged from I mode \n REAL( 8 ), INTENT( OUT ) :: FRACPOA ! Fraction of J mode poa scavenged from I mode \n REAL( 8 ), INTENT( OUT ) :: FRACPRI ! Fraction of J mode pri scavenged from I mode \n REAL( 8 ), INTENT( OUT ) :: FRACSOA ! Fraction of J mode soa scavenged from I mode\n \n\nC...........Local Variables (scalars):\n\n LOGICAL, SAVE :: FIRSTIME = .TRUE. ! flag for first pass thru\n LOGICAL :: DARK\n\n CHARACTER( 16 ), SAVE :: PNAME = 'AQCHEM' ! driver program name\n CHARACTER( 16 ), SAVE :: MGLYSUR = 'METHYL_GLYOXAL ' ! Henry's law surrogate for MGLY\n\n INTEGER ISPC ! loop counter for species\n INTEGER I20C ! loop counter for do loop 20\n INTEGER I30C ! loop counter for do loop 30\n INTEGER ITERAT ! # iterations of aqueous chemistry solver\n INTEGER I7777C ! aqueous chem iteration counter\n INTEGER ICNTAQ ! aqueous chem iteration counter\n INTEGER LIQ ! loop counter for liquid species\n INTEGER IGAS ! loop counter for gas species\n INTEGER IOX ! index over oxidation reactions\n\n REAL( 8 ) :: DEPSUM\n REAL( 8 ) :: A ! iron's anion concentration\n REAL( 8 ) :: HPLUS ! H+ concentration in cloudwater (mol/liter)\n REAL( 8 ) :: ACT1 ! activity correction factor, single ions\n REAL( 8 ) :: ACT2 ! activity factor correction, double ions\n REAL( 8 ) :: ACTB !\n REAL( 8 ) :: AE ! guess for H+ conc in cloudwater (mol/liter)\n REAL( 8 ) :: B ! manganese's anion concentration\n REAL( 8 ) :: PRES_ATM ! pressure (Atm)\n REAL( 8 ) :: BB ! lower limit guess of cloudwater pH\n REAL( 8 ) :: CA ! Calcium conc in cloudwater (mol/liter)\n REAL( 8 ) :: CL ! total Cl- conc in cloudwater (mol/liter)\n REAL( 8 ) :: CLACC ! fine Cl- in cloudwater (mol/liter)\n REAL( 8 ) :: CLCOR ! coarse Cl- conc in cloudwater (mol/liter)\n REAL( 8 ) :: CO2H ! Henry's Law constant for CO2\n REAL( 8 ) :: CO21 ! First dissociation constant for CO2\n REAL( 8 ) :: CO22 ! Second dissociation constant for CO2\n REAL( 8 ) :: CO212 ! CO21*CO22\n REAL( 8 ) :: CO212H ! CO2H*CO21*CO22\n REAL( 8 ) :: CO21H ! CO2H*CO21\n REAL( 8 ) :: CO2L ! CO2 conc in cloudwater (mol/liter)\n REAL( 8 ) :: CO3 ! CO3= conc in cloudwater (mol/liter)\n REAL( 8 ) :: CTHK1 ! cloud thickness (m)\n REAL( 8 ) :: DSIV_SCALE ! mass conservation scale factor for S(IV)\n REAL( 8 ) :: DTRMV !\n REAL( 8 ) :: DTS6 !\n REAL( 8 ) :: DGLYDT ! change in GLY (mol/liter/sec)\n REAL( 8 ) :: DMGLYDT ! change in MGLY (mol/liter/sec)\n! REAL( 8 ) :: DOHDT ! change in OH\n REAL( 8 ) :: DGLY1 ! change due to Rxn. in GLY for DTW(0) time step\n REAL( 8 ) :: DMGLY1 ! change due to Rxn. in MGLY for DTW(0) time step\n! REAL( 8 ) :: DOH1 ! change in OH for DTW(0) time step\n REAL( 8 ) :: DORGC ! change in ORGC for DTW(0) time step (mol/liter)\n REAL( 8 ) :: EBETASO4T ! EXP( -BETASO4 * TAUCLD )\n REAL( 8 ) :: EALFA0T ! EXP( -ALFA0 * TAUCLD )\n REAL( 8 ) :: EALFA2T ! EXP( -ALFA2 * TAUCLD )\n REAL( 8 ) :: EALFA3T ! EXP( -ALFA3 * TAUCLD )\n REAL( 8 ) :: EC ! elemental carbon acc+akn aerosol in cloudwater (mol/liter)\n REAL( 8 ) :: FA ! functional value ??\n REAL( 8 ) :: FB ! functional value ??\n REAL( 8 ) :: FCLCOR ! frac weight of coarse CL to (acc+coarse) CL\n REAL( 8 ) :: FE ! Fe+++ conc in cloudwater (mol/liter)\n REAL( 8 ) :: FHNO3 ! frac weight of HNO3 to total NO3\n REAL( 8 ) :: FNH3 ! frac weight of NH3 to total ammonia\n REAL( 8 ) :: FNH4ACC ! frac weight of NH4 acc to total ammonia\n REAL( 8 ) :: FNH4COR ! frac weight of coarse NH4 to (acc+coarse) NH4\n REAL( 8 ) :: FNO3ACC ! frac weight of NO3 acc to total NO3 \n REAL( 8 ) :: FNO3COR ! frac weight of coarse NO3 to (acc+coarse) NO3\n REAL( 8 ) :: FRACLIQ ! fraction of water in liquid form\n REAL( 8 ) :: FOA1 ! First dissociation constant for FOA (Formic Acid)\n REAL( 8 ) :: FOAH ! Henry's Law constant for FOA\n REAL( 8 ) :: FOA1H ! FOAH*FOA1\n REAL( 8 ) :: FOAL ! FOA conc in cloudwater (mol/liter)\n REAL( 8 ) :: FTST !\n REAL( 8 ) :: GLYH ! Henry's Law constant for glyoxal\n REAL( 8 ) :: GLYL ! glyoxal conc in cloud water (mol/liter)\n REAL( 8 ) :: GM !\n REAL( 8 ) :: GM1 !\n REAL( 8 ) :: GM1LOG !\n REAL( 8 ) :: GM2 ! activity correction factor\n REAL( 8 ) :: GM2LOG !\n REAL( 8 ) :: HA !\n REAL( 8 ) :: HB !\n REAL( 8 ) :: H2OW !\n REAL( 8 ) :: H2O2H ! Henry's Law Constant for H2O2\n REAL( 8 ) :: H2O2L ! H2O2 conc in cloudwater (mol/liter)\n REAL( 8 ) :: HCLH ! Henry's Law Constant for HCL\n REAL( 8 ) :: HCL1 ! First dissociation constant for HCL\n REAL( 8 ) :: HCL1H ! HCL1*HCLH\n REAL( 8 ) :: HCLL ! HCl conc in cloudwater (mol/liter)\n REAL( 8 ) :: HCO2 ! HCO2 conc in cloudwater (mol/liter)\n REAL( 8 ) :: HCO3 ! HCO3 conc in cloudwater (mol/liter)\n REAL( 8 ) :: HNO3H ! Henry's Law Constant for HNO3\n REAL( 8 ) :: HNO31 ! First dissociation constant for HNO3\n REAL( 8 ) :: HNO31H !\n REAL( 8 ) :: HNO3L ! HNO3 conc in cloudwater (mol/liter)\n REAL( 8 ) :: HOH ! Henry's Law Constant for HO\n REAL( 8 ) :: HSO3 ! HSO3 conc in cloudwater (mol/liter)\n REAL( 8 ) :: HSO4 ! HSO4 concn in cloudwater (mol/liter)\n REAL( 8 ) :: HSO4ACC ! accumulation mode HSO4 concn in cloudwater (mol/liter)\n REAL( 8 ) :: HSO4COR ! coarse HSO4 concn in cloudwater (mol/liter)\n REAL( 8 ) :: HTST !\n REAL( 8 ) :: K ! K conc in cloudwater (mol/liter)\n !REAL( 8 ) :: LGTEMP ! log of TEMP\n REAL( 8 ) :: MG !\n REAL( 8 ) :: MGLYH ! Henry's Law Constant for methylglyoxal\n REAL( 8 ) :: MGLYL ! MGLY conc in cloud water (mol/liter)\n REAL( 8 ) :: MHPH ! Henry's Law Constant for MHP\n REAL( 8 ) :: MHPL ! MHP conc in cloudwater (mol/liter)\n REAL( 8 ) :: MN ! Mn++ conc in cloudwater (mol/liter)\n REAL( 8 ) :: NA ! Na conc in cloudwater (mol/liter)\n REAL( 8 ) :: NAACC ! Na in cloudwater (mol/liter)\n REAL( 8 ) :: NACOR ! coarse Na in cloudwater (mol/liter)\n REAL( 8 ) :: NH31 ! First dissociation constant for NH3\n REAL( 8 ) :: NH3H ! Henry's Law Constant for NH3\n REAL( 8 ) :: NH3DH20 !\n REAL( 8 ) :: NH31HDH !\n REAL( 8 ) :: NH3L ! NH3 conc in cloudwater (mol/liter)\n REAL( 8 ) :: NH4 ! NH4+ conc in cloudwater (mol/liter)\n REAL( 8 ) :: NH4ACC ! NH4 acc conc in cloudwater (mol/liter)\n REAL( 8 ) :: NH4COR ! NH4 coarse conc in cloudwater (mol/liter)\n !REAL( 8 ) :: NITAER ! total aerosol nitrate\n REAL( 8 ) :: NO3 ! NO3 conc in cloudwater (mol/liter)\n REAL( 8 ) :: NO3ACC ! NO3 acc conc in cloudwater (mol/liter)\n REAL( 8 ) :: NO3COR ! NO3 coarse conc in cloudwater (mol/liter)\n REAL( 8 ) :: NUMCOR ! coarse aerosol number in cloudwater (mol/liter)\n REAL( 8 ) :: O3H ! Henry's Law Constant for O3\n REAL( 8 ) :: O3L ! O3 conc in cloudwater (mol/liter)\n REAL( 8 ) :: OH ! OH conc in cloudwater (mol/liter)\n REAL( 8 ) :: OHL ! OH radical conc in cloudwater (mol/liter)\n REAL( 8 ) :: SOA ! secondary organic aerosol in cloudwater (mol/liter)\n REAL( 8 ) :: ORGC ! cloud-produced SOA in cloudwater (treated as primary)\n REAL( 8 ) :: POA ! primary organic aerosol in cloudwater (mol/liter)\n REAL( 8 ) :: PAAH ! Henry's Law Constant for PAA\n REAL( 8 ) :: PAAL ! PAA conc in cloudwater (mol/liter)\n REAL( 8 ) :: PCO2F ! gas only CO2 partial pressure (atm)\n REAL( 8 ) :: PFOAF ! gas only ORGANIC ACID partial press (atm)\n REAL( 8 ) :: PGLYF ! gas only GLY partial pressure (atm)\n REAL( 8 ) :: PH2O2F ! gas only H2O2 partial pressure (atm)\n REAL( 8 ) :: PHCLF ! gas only HCL partial pressure (atm)\n REAL( 8 ) :: PHNO3F ! gas only HNO3 partial pressure (atm)\n REAL( 8 ) :: PHOF ! gas only HO partial pressure (atm)\n REAL( 8 ) :: PMGLYF ! gas only MGLY parital pressure (atm)\n REAL( 8 ) :: PMHPF ! gas only MHP partial pressure (atm)\n REAL( 8 ) :: PNH3F ! gas only NH3 partial pressure (atm)\n REAL( 8 ) :: PO3F ! gas only O3 partial pressure (atm)\n REAL( 8 ) :: PPAAF ! gas only PAA partial pressure (atm)\n REAL( 8 ) :: PRIM ! PRIMARY acc+akn aerosol in cloudwater (mol/liter)\n! REAL( 8 ) :: PRIMCOR ! PRIMARY coarse aerosol in cloudwater (mol/liter)\n REAL( 8 ) :: PSO2F ! gas only SO2 partial pressure (atm)\n !REAL( 8 ) :: RATE !\n REAL( 8 ) :: RECIPA1 !\n REAL( 8 ) :: RECIPA2 !\n REAL( 8 ) :: RECIPAP1 ! one over pressure (/atm)\n REAL( 8 ) :: RGLY3 ! liter/(mol sec)\n REAL( 8 ) :: RH2O2 !\n REAL( 8 ) :: RMGLY3 ! liter/(mol sec)\n REAL( 8 ) :: RMHP !\n REAL( 8 ) :: RPAA !\n REAL( 8 ) :: RT ! gas const * temperature (liter atm/mol)\n REAL( 8 ) :: SIV ! dissolved so2 in cloudwater (mol/liter)\n REAL( 8 ) :: SK6 !\n REAL( 8 ) :: SK6TS6 !\n REAL( 8 ) :: SO21 ! First dissociation constant for SO2\n REAL( 8 ) :: SO22 ! Second dissociation constant for SO2\n REAL( 8 ) :: SO2H ! Henry's Law Constant for SO2\n REAL( 8 ) :: SO212 ! SO21*SO22\n REAL( 8 ) :: SO212H ! SO21*SO22*SO2H\n REAL( 8 ) :: SO21H ! SO21*SO2H\n REAL( 8 ) :: SO2L ! SO2 conc in cloudwater (mol/liter)\n REAL( 8 ) :: SO3 ! SO3= conc in cloudwater (mol/liter)\n REAL( 8 ) :: SO4 ! SO4= conc in cloudwater (mol/liter)\n REAL( 8 ) :: SO4ACC ! accumulation mode SO4= conc in cloudwater (mol/liter)\n REAL( 8 ) :: SO4COR ! coarse SO4= conc in cloudwater (mol/liter)\n REAL( 8 ) :: STION ! ionic strength\n REAL( 8 ) :: TAC !\n REAL( 8 ) :: TCLa ! sum of accumulation and coarse mode chloride\n REAL( 8 ) :: TEMP1 ! (1/T) - (1/298) (1/K)\n REAL( 8 ) :: TIMEW ! cloud chemistry clock (sec)\n! REAL( 8 ) :: THO ! total hydroxyl radical available for oxidation\n REAL( 8 ) :: TGLY ! total glyoxal available for oxidation\n REAL( 8 ) :: TMGLY ! total methylglyoxal available for oxidation\n !REAL( 8 ) :: TOTOX !\n REAL( 8 ) :: TH2O2\n REAL( 8 ) :: TO3\n REAL( 8 ) :: TMHP \n REAL( 8 ) :: TNH4a ! sum of accumulation and coarse mode ammonium\n REAL( 8 ) :: TNO3a ! sum of accumulation and coarse mode nitrate \n REAL( 8 ) :: TPAA\n REAL( 8 ) :: TOTAMM ! total ammonium\n REAL( 8 ) :: TOTNIT ! total nitrate (excluding coarse mode)\n REAL( 8 ) :: TS6 ! SO4 conc in cloudwater (mol/liter)\n REAL( 8 ) :: TS6ACC ! SO4 acc conc in cloudwater (mol/liter)\n REAL( 8 ) :: TS6COR ! coarse SO4 conc in cloudwater (mol/liter)\nC...for sulfur tracking\n REAL( 8 ) :: TS6AQH2O2 ! SO4 conc from reaction 1 (mol/liter)\n REAL( 8 ) :: TS6AQO3 ! SO4 conc from reaction 2 (mol/liter)\n REAL( 8 ) :: TS6AQFEMN ! SO4 conc from reaction 3 (mol/liter)\n REAL( 8 ) :: TS6AQMHP ! SO4 conc from reaction 4 (mol/liter)\n REAL( 8 ) :: TS6AQPAA ! SO4 conc from reaction 5 (mol/liter)\n\n REAL( 8 ) :: TSIV ! total S(iv) available for oxidation\n REAL( 8 ) :: TST !\n REAL( 8 ) :: TWASH ! washout time for clouds (sec)\n REAL( 8 ) :: WETFAC ! converts mol/l to mm-mol/l based on precip\n REAL( 8 ) :: XC1 ! (/mm)\n REAL( 8 ) :: XC2 ! (liter-atm/mol/mm)\n REAL( 8 ) :: XL ! conversion factor (liter-atm/mol)\n REAL( 8 ) :: ONE_OVER_XL ! 1.0 / XL\n REAL( 8 ) :: PRES_ATM_OVER_XL ! PRES_ATM / XL\n REAL( 8 ) :: SCAVENGED ! aitken scavenging factor by cloud water\n REAL( 8 ) :: XLCO2 !\n REAL( 8 ) :: XLH2O2 !\n REAL( 8 ) :: XLHCL ! const in calc of HCL final partial pres\n REAL( 8 ) :: XLHNO3 !\n REAL( 8 ) :: XLMHP !\n REAL( 8 ) :: XLNH3 !\n REAL( 8 ) :: XLO3 !\n REAL( 8 ) :: XLPAA !\n REAL( 8 ) :: XLSO2 !\n REAL( 8 ) :: CAACC ! accumulation mode Calcium (AE6) SLN 16March2011\n REAL( 8 ) :: MGACC ! accumulation mode Magnesium (AE6) SLN 16March2011\n REAL( 8 ) :: KACC ! accumulation mode Potassium (AE6) SLN 16March2011\n REAL( 8 ) :: CACOR ! coarse mode Calcium (AE6) SLN 16March2011\n REAL( 8 ) :: MGCOR ! coarse mode Magnesium (AE6) SLN 16March2011\n REAL( 8 ) :: KCOR ! coarse mode Potassium (AE6) SLN 16March2011\n REAL( 8 ) :: SOILCOR ! coarse mode SOIL (AE6) SLN 16March2011\n REAL( 8 ) :: ANTHCOR ! coarse mode CORS (AE6) SLN 16March2011\n REAL( 8 ) :: SEASCOR ! coarse mode SEAS (AE6) SLN 16March2011\n REAL( 8 ) :: FEACC ! accumulation mode Fe (AE6) SLN 22March2011\n REAL( 8 ) :: MNACC ! accumulation mode Mn (AE6) SLN 22March2011\n REAL( 8 ) :: FECOR ! coarse mode Fe (AE6) SLN 22March2011\n REAL( 8 ) :: MNCOR ! coarse mode Mn (AE6) SLN 22March2011\n REAL( 8 ) :: FE_OX ! Fe(III) available for sulfate oxidation\n REAL( 8 ) :: MN_OX ! Mn(II) available for sulfate oxidation\n REAL( 8 ) :: FE_III ! Fractional Fe(III) partitioning, GS - July 1, 2011\n REAL( 8 ) :: MN_II ! Fractional Mn(II) partitioning, GS - July 1, 2011\n\n REAL( 8 ) :: FE_SOL ! Fractional Fe solubility, GS - July 1, 2011\n REAL( 8 ) :: MN_SOL ! Fractional Mn solubility, GS - July 1, 2011\n\t\t\t\t\t \n REAL( 8 ) :: TRACI, POAI, PRII, SOAI\n\n REAL( 8 ), SAVE :: SOIL_FE_FAC ! Fe molar fraction of ASOIL\n REAL( 8 ), SAVE :: CORS_FE_FAC ! Fe molar fraction of ACORS\n REAL( 8 ), SAVE :: SOIL_MN_FAC ! etc.\n REAL( 8 ), SAVE :: CORS_MN_FAC\n REAL( 8 ), SAVE :: SEAS_NA_FAC ! Na molar fraction of ASEACAT\n REAL( 8 ), SAVE :: SOIL_NA_FAC\n REAL( 8 ), SAVE :: CORS_NA_FAC\n REAL( 8 ), SAVE :: SEAS_MG_FAC\n REAL( 8 ), SAVE :: SOIL_MG_FAC\n REAL( 8 ), SAVE :: CORS_MG_FAC\n REAL( 8 ), SAVE :: SEAS_CA_FAC\n REAL( 8 ), SAVE :: SOIL_CA_FAC\n REAL( 8 ), SAVE :: CORS_CA_FAC\n REAL( 8 ), SAVE :: SEAS_K_FAC\n REAL( 8 ), SAVE :: SOIL_K_FAC\n REAL( 8 ), SAVE :: CORS_K_FAC\n\nC...........Local Variables (arrays):\n\n REAL( 8 ) :: LOADING( MAX_NAER, NMODES ) ! aerosol loading (mol/liter)\n REAL( 8 ) :: INITGAS( NGAS ) ! initial gas partial pressure (atm)\n REAL( 8 ) :: LIQUID( NLIQS ) ! wet deposition array (mm mol/liter)\n REAL( 8 ) :: WETDEP( NLIQS ) ! wet deposition array (mm mol/liter)\n REAL( 8 ) :: DSIVDT( 0:NUMOX ) ! rate of so2 oxid incloud (mol/liter/sec)\n REAL( 8 ) :: DS4 ( 0:NUMOX ) ! S(IV) oxidized over timestep DTW(0)\n REAL( 8 ) :: DTW ( 0:NUMOX ) ! cloud chemistry timestep (sec)\n\n REAL( 8 ) :: ONE_OVER_TEMP ! 1.0 / TEMP\n\nC...........External Functions:\n\n REAL, EXTERNAL :: HLCONST\n\n!For Varaible used by TXHG Version\n !LOGICAL, SAVE :: TRUST_TXHG_CHEM = .TRUE. ! allow effects for TXHG version on ion and ph\n REAL( 8 ) :: TRACER ! TRACER acc+akn aerosol in cloudwater (mol/liter)\n REAL( 8 ) :: TRACERCOR ! TRACER coarse aerosol in cloudwater (mol/liter)\n REAL( 8 ) :: HGFINE ! mercury PM acc+akn aerosol in cloudwater (mol/liter)\n REAL( 8 ) :: HGCOR ! mercury PM coarse aerosol in cloudwater (mol/liter)\n\n\n#ifdef sens\n INCLUDE 'AQCHEM_DDM3D.EXT' ! ddm-3d variables \n#endif\n\n\nC*********************************************************************\n\nC...Initialization\n\n IF ( FIRSTIME ) THEN\n\n FIRSTIME = .FALSE.\n\nC... set MW ratios and speciation factors for molar concentrations of coarse\nC... soluble aerosols\n\n SOIL_FE_FAC = ASOIL_FE_FAC * REAL( AEROSPC_MW( ASOIL_IDX ), 8 )\n & / REAL( AEROSPC_MW( AFE_IDX ), 8 ) / ASOIL_RENORM\n CORS_FE_FAC = ACORS_FE_FAC * REAL( AEROSPC_MW( ACORS_IDX ), 8 )\n & / REAL( AEROSPC_MW( AFE_IDX ), 8 ) / ACORSEM_RENORM\n\n SOIL_MN_FAC = ASOIL_MN_FAC * REAL( AEROSPC_MW( ASOIL_IDX ), 8 )\n & / REAL( AEROSPC_MW( AMN_IDX ), 8 ) / ASOIL_RENORM\n CORS_MN_FAC = ACORS_MN_FAC * REAL( AEROSPC_MW( ACORS_IDX ), 8 )\n & / REAL( AEROSPC_MW( AMN_IDX ), 8 ) / ACORSEM_RENORM\n\n SEAS_NA_FAC = ASCAT_NA_FAC * REAL( AEROSPC_MW( ASEACAT_IDX ), 8 )\n & / REAL( AEROSPC_MW( ANA_IDX ), 8 )\n SOIL_NA_FAC = ASOIL_NA_FAC * REAL( AEROSPC_MW( ASOIL_IDX ), 8 )\n & / REAL( AEROSPC_MW( ANA_IDX ), 8 ) / ASOIL_RENORM\n CORS_NA_FAC = ACORS_NA_FAC * REAL( AEROSPC_MW( ACORS_IDX ), 8 )\n & / REAL( AEROSPC_MW( ANA_IDX ), 8 ) / ACORSEM_RENORM\n\n SEAS_MG_FAC = ASCAT_MG_FAC * REAL( AEROSPC_MW( ASEACAT_IDX ), 8 )\n & / REAL( AEROSPC_MW( AMG_IDX ), 8 )\n SOIL_MG_FAC = ASOIL_MG_FAC * REAL( AEROSPC_MW( ASOIL_IDX ), 8 )\n & / REAL( AEROSPC_MW( AMG_IDX ), 8 ) / ASOIL_RENORM\n CORS_MG_FAC = ACORS_MG_FAC * REAL( AEROSPC_MW( ACORS_IDX ), 8 )\n & / REAL( AEROSPC_MW( AMG_IDX ), 8 ) / ACORSEM_RENORM\n\n SEAS_CA_FAC = ASCAT_CA_FAC * REAL( AEROSPC_MW( ASEACAT_IDX ), 8 )\n & / REAL( AEROSPC_MW( ACA_IDX ), 8 )\n SOIL_CA_FAC = ASOIL_CA_FAC * REAL( AEROSPC_MW( ASOIL_IDX ), 8 )\n & / REAL( AEROSPC_MW( ACA_IDX ), 8 ) / ASOIL_RENORM\n CORS_CA_FAC = ACORS_CA_FAC * REAL( AEROSPC_MW( ACORS_IDX ), 8 )\n & / REAL( AEROSPC_MW( ACA_IDX ), 8 ) / ACORSEM_RENORM\n\n SEAS_K_FAC = ASCAT_K_FAC * REAL( AEROSPC_MW( ASEACAT_IDX ), 8 )\n & / REAL( AEROSPC_MW( AK_IDX ), 8 )\n SOIL_K_FAC = ASOIL_K_FAC * REAL( AEROSPC_MW( ASOIL_IDX ), 8 )\n & / REAL( AEROSPC_MW( AK_IDX ), 8 ) / ASOIL_RENORM\n CORS_K_FAC = ACORS_K_FAC * REAL( AEROSPC_MW( ACORS_IDX ), 8 )\n & / REAL( AEROSPC_MW( AK_IDX ), 8 ) / ACORSEM_RENORM\n\n END IF ! FIRSTIME\n\n ONE_OVER_TEMP = 1.0D0 / TEMP\n\nC...check for bad temperature, cloud air mass, or pressure\n\n IF ( TEMP .LE. 0.0D0 .OR. AIRM .LE. 0.0D0 .OR. PRES_PA .LE. 0.0D0 ) THEN\n XMSG = 'MET DATA ERROR'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n\nC... determine day or night from cosine of zenith angle for the cell; Golam Sarwar\n\n IF ( COSZ .LE. 0.0 ) THEN\n DARK = .TRUE. ! night\n ELSE\n DARK = .FALSE. ! day\n END IF\n\nC...initialize counters and compute several conversion factors\n\n ICNTAQ = 0\n ITERAT = 0\n DSIV_SCALE = 1.0D0\n RT = ( MOLVOL / STDTEMP ) * TEMP ! R * T (liter atm / mol)\n PRES_ATM = PRES_PA / STDATMPA ! pressure (atm)\n CTHK1 = AIRM * RT / ( PRES_ATM * 1000.0D0 ) ! cloud thickness (m)\n XL = WCAVG * RT / H2ODENS ! conversion factor (l-atm/mol)\n ONE_OVER_XL = 1.0D0 / XL\n PRES_ATM_OVER_XL = PRES_ATM / XL\n TST = 0.999D0\n GM = SCVEFF / 100.0D0\n ACT1 = 1.0D0\n ACT2 = 1.0D0\n GM2 = 1.0D0\n TIMEW = 0.0D0\n RECIPAP1 = 1.0D0 / PRES_ATM\n XC1 = 1.0D0 / ( WCAVG * CTHK1 )\n XC2 = RT / ( 1000.0D0 * CTHK1 )\n FRACLIQ = WCAVG / WTAVG\n TWASH = WTAVG * 1000.0D0 * CTHK1 * 3600.0D0\n & / ( H2ODENS * MAX( 1.0D-20, REAL( PRCRATE,8 ) ) )\n\nC...set equilibrium constants as a function of temperature\nC... Henry`s law constants\n\n SO2H = HLCONST( 'SO2 ', TEMP, .FALSE., 0.0 )\n CO2H = HLCONST( 'CO2 ', TEMP, .FALSE., 0.0 )\n NH3H = HLCONST( 'NH3 ', TEMP, .FALSE., 0.0 )\n H2O2H = HLCONST( 'H2O2 ', TEMP, .FALSE., 0.0 )\n O3H = HLCONST( 'O3 ', TEMP, .FALSE., 0.0 )\n HCLH = HLCONST( 'HCL ', TEMP, .FALSE., 0.0 )\n HNO3H = HLCONST( 'HNO3 ', TEMP, .FALSE., 0.0 )\n MHPH = HLCONST( 'METHYLHYDROPEROX', TEMP, .FALSE., 0.0 )\n PAAH = HLCONST( 'PEROXYACETIC_ACI', TEMP, .FALSE., 0.0 )\n FOAH = HLCONST( 'FORMIC_ACID ', TEMP, .FALSE., 0.0 )\n GLYH = HLCONST( 'GLYOXAL ', TEMP, .FALSE., 0.0 )\n MGLYH = HLCONST( MGLYSUR, TEMP, .FALSE., 0.0 )\n HOH = HLCONST( 'OH ', TEMP, .FALSE., 0.0 )\n\n TEMP1 = ONE_OVER_TEMP - 1.0D0 / 298.0D0\n\nC...dissociation constants\n\n FOA1 = 1.80D-04 * EXP( -2.00D+01 * TEMP1 ) ! Martell and Smith (1977)\n SK6 = 1.02D-02 * EXP( 2.72D+03 * TEMP1 ) ! Smith and Martell (1976)\n SO21 = 1.30D-02 * EXP( 1.96D+03 * TEMP1 ) ! Smith and Martell (1976)\n SO22 = 6.60D-08 * EXP( 1.50D+03 * TEMP1 ) ! Smith and Martell (1976)\n CO21 = 4.30D-07 * EXP( -1.00D+03 * TEMP1 ) ! Smith and Martell (1976)\n CO22 = 4.68D-11 * EXP( -1.76D+03 * TEMP1 ) ! Smith and Martell (1976)\n H2OW = 1.00D-14 * EXP( -6.71D+03 * TEMP1 ) ! Smith and Martell (1976)\n NH31 = 1.70D-05 * EXP( -4.50D+02 * TEMP1 ) ! Smith and Martell (1976)\n HCL1 = 1.74D+06 * EXP( 6.90D+03 * TEMP1 ) ! Marsh and McElroy (1985)\n HNO31 = 1.54D+01 * EXP( 8.70D+03 * TEMP1 ) ! Schwartz (1984)\n\nC...Kinetic oxidation rates\n\nC... From Jacobson (1997)\n\n RH2O2 = 7.45D+07 * EXP( -15.96D0 * ( ( 298.0D0 / TEMP ) - 1.0D0 ) )\n\nC... From Jacobson, 1997\n\n RMHP = 1.90D+07 * EXP( -12.75D0 * ( ( 298.0D0 / TEMP ) - 1.0D0 ) )\n RPAA = 3.60D+07 * EXP( -13.42D0 * ( ( 298.0D0 / TEMP ) - 1.0D0 ) )\n\nC...From Carlton et al. (2007)\n\n RGLY3 = 3.0D+10 ! rate constant measured at 298K\n RMGLY3 = 3.0D+10 ! assumed to be the same as GLY\n\nC...make initializations\n\n WETDEP = 0.0D0\n LOADING = 0.0D0\n INITGAS = 0.0D0\n\n DSIVDT = 0.0D0\n DTW = 0.0D0\n DS4 = 0.0D0\n\n DGLY1 = 0.0D0\n DMGLY1 = 0.0D0\n DORGC = 0.0D0\n! DOH1 = 0.0\n\n#ifdef sens \n S_WETDEP = 0.0D0\n S_LOADING = 0.0D0\n S_INITGAS = 0.0D0\n\n S_DSIVDT = 0.0D0\n S_DS4 = 0.0D0\n\n S_DGLY1 = 0.0D0\n S_DMGLY1 = 0.0D0\n S_DORGC = 0.0D0\n#endif\n\n#ifdef isam\n DGLY1_SAVE = 0.0D0\n DMGLY1_SAVE = 0.0D0\n#endif\n\nC...compute fractional weights for several species\n\n TOTNIT = GAS( LHNO3 ) + AEROSOL( LNO3, ACC )\n IF ( TOTNIT .GT. 0.0D0 ) THEN\n FHNO3 = GAS( LHNO3 ) / TOTNIT\n FNO3ACC = AEROSOL( LNO3, ACC ) / TOTNIT\n ELSE\n FHNO3 = 1.0D0\n FNO3ACC = 0.0D0\n END IF\n\n TOTAMM = GAS( LNH3 ) + AEROSOL( LNH4, ACC )\n IF ( TOTAMM .GT. 0.0D0 ) THEN\n FNH3 = GAS( LNH3 ) / TOTAMM\n FNH4ACC = AEROSOL( LNH4, ACC ) / TOTAMM\n ELSE\n FNH3 = 1.0D0\n FNH4ACC = 0.0D0\n END IF\n\n TNO3a = AEROSOL( LNO3, ACC ) + AEROSOL( LNO3, COR ) \n IF ( TNO3a .GT. 0.0D0) THEN\n FNO3COR = AEROSOL( LNO3, COR ) / TNO3a\n ELSE\n FNO3COR = 0.0D0\n END IF\n \n TNH4a = AEROSOL( LNH4, ACC ) + AEROSOL( LNH4, COR )\n IF ( TNH4a .GT. 0.0D0) THEN\n FNH4COR = AEROSOL( LNH4, COR ) / TNH4a\n ELSE\n FNH4COR = 0.0D0\n END IF\n \n TCLa = AEROSOL( LCL, ACC ) + AEROSOL( LCL, COR )\n IF ( TCLa .GT. 0.0D0) THEN\n FCLCOR = AEROSOL( LCL, COR ) / TCLa\n ELSE\n FCLCOR = 0.0D0\n END IF\n\n#ifdef sens\n DO NP = 1, NPMAX\n\n S_TOTNIT( NP ) = S_GAS( NP, LHNO3 ) + S_AEROSOL( NP, LNO3, ACC )\n IF ( S_TOTNIT( NP ) .NE. 0.0D0 ) THEN\n S_FHNO3( NP ) = S_GAS( NP,LHNO3 ) / S_TOTNIT( NP )\n S_FNO3ACC( NP ) = S_AEROSOL( NP,LNO3, ACC ) / S_TOTNIT( NP )\n ELSE\n S_FHNO3( NP ) = 1.0D0\n S_FNO3ACC( NP ) = 0.0D0\n END IF\n\n S_TOTAMM( NP ) = S_GAS( NP, LNH3 ) + S_AEROSOL( NP, LNH4, ACC )\n IF ( S_TOTAMM( NP ) .NE. 0.0D0 ) THEN\n S_FNH3( NP ) = S_GAS( NP, LNH3 ) / S_TOTAMM( NP )\n S_FNH4ACC( NP ) = S_AEROSOL( NP, LNH4, ACC ) / S_TOTAMM( NP )\n ELSE\n S_FNH3( NP ) = 1.0D0\n S_FNH4ACC( NP ) = 0.0D0\n END IF\n\n END DO\n#endif\n \nC...Assign fraction partitioning of FE(III) and MN(II)\n\n IF ( DARK ) THEN\n FE_III = 0.9D0 ! Night time, GS 01July2011\n ELSE\n FE_III = 0.1D0 ! Day time, GS 01July2011\n END IF\n\n MN_II = 1.0D0 ! Same for day and night, GS 01July2011\n\nC...Assign solubility of Fe and Mn\n\n FE_SOL = 0.1D0 ! GS 01July2011\n MN_SOL = 0.5D0 ! GS 28July2011\n\nC...initial concentration from accumulation-mode aerosol loading (mol/liter)\nC... an assumption is made that all of the accumulation-mode\nC... aerosol mass in incorporated into the cloud droplets\n\n DO ISPC = 1, NAER\n LOADING( ISPC, ACC ) = AEROSOL( ISPC, ACC ) * PRES_ATM_OVER_XL\n END DO\n\n LOADING( LSO4, ACC ) = ( AEROSOL( LSO4, ACC ) + GAS( LH2SO4 ) ) * PRES_ATM_OVER_XL\n\n#ifdef sens\n DO NP = 1, NPMAX\n DO ISPC = 1, NAER\n S_LOADING( NP,ISPC, ACC ) = S_AEROSOL( NP,ISPC, ACC ) * PRES_ATM_OVER_XL\n END DO\n S_LOADING( NP,LSO4, ACC ) = ( S_AEROSOL( NP,LSO4, ACC ) + S_GAS( NP,LH2SO4 ) ) * PRES_ATM_OVER_XL\n END DO\n#endif\n\nC...initial concentration from coarse-mode aerosol loading (mol/liter)\nC... an assumption is made that all of the coarse-mode\nC... aerosol mass in incorporated into the cloud droplets\n\n DO ISPC = 1, NAER\n LOADING( ISPC, COR ) = AEROSOL( ISPC, COR ) * PRES_ATM_OVER_XL\n END DO\n\n! LOADING( LCACO3, COR ) = ( AEROSOL( LCACO3, COR ) + AEROSOL( LMGCO3, COR ) )\n! & * PRES_ATM_OVER_XL\n\n#ifdef sens\n DO NP = 1, NPMAX\n DO ISPC = 1, NAER\n S_LOADING( NP, ISPC, COR ) = S_AEROSOL( NP,ISPC, COR ) * PRES_ATM_OVER_XL\n END DO\n END DO\n#endif\n\nC...set constant factors that will be used in later multiplications (moles/atm)\n\n XLH2O2 = H2O2H * XL\n XLO3 = O3H * XL\n XLMHP = MHPH * XL\n XLPAA = PAAH * XL\n XLSO2 = SO2H * XL\n XLNH3 = NH3H * XL\n XLHCL = HCLH * XL\n XLHNO3 = HNO3H * XL\n XLCO2 = CO2H * XL\n\n SO212 = SO21 * SO22\n SO21H = SO21 * SO2H\n SO212H = SO212 * SO2H\n CO212 = CO21 * CO22\n CO21H = CO21 * CO2H\n CO212H = CO22 * CO21H\n NH3DH20 = NH31 / H2OW\n NH31HDH = NH3H * NH3DH20\n FOA1H = FOA1 * FOAH\n HCL1H = HCL1 * HCLH\n HNO31H = HNO31 * HNO3H\n\nC...loop If kinetic calculations are made, return to this point\n\n DO I20C = 1, 10001\n\n IF ( I20C .GE. 10000 ) THEN\n XMSG = 'EXCESSIVE LOOPING AT I20C'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n\nC...set aitken-mode aerosol loading (mol/liter)\n\n SCAVENGED = PRES_ATM_OVER_XL * ( 1.0D0 - EXP( -REAL( ALFA3, 8 ) * TIMEW ) )\n DO ISPC = 1, NAER\n LOADING( ISPC, AKN ) = AEROSOL( ISPC, AKN ) * SCAVENGED\n END DO\n\n#ifdef sens\n DO NP = 1, NPMAX\n DO ISPC = 1, NAER\n S_LOADING( NP, ISPC, AKN ) = S_AEROSOL( NP, ISPC, AKN ) * SCAVENGED\n END DO\n END DO\n#endif\n\nC...Initial gas phase partial pressures (atm)\nC... = initial partial pressure - amount deposited partial pressure\n\n INITGAS( LSO2 ) = GAS( LSO2 ) * PRES_ATM\n & + DS4( 0 ) * XL\n & - ( WETDEP( LSO3L ) + WETDEP( LHSO3L ) + WETDEP( LSO2L ) ) * XC2\n INITGAS( LNH3 ) = GAS( LNH3 ) * PRES_ATM\n & + ( LOADING( LNH4, ACC ) + LOADING( LNH4, COR ) + LOADING( LNH4, AKN ) ) * XL\n & - ( WETDEP( LNH4ACCL ) + WETDEP( LNH3L ) + WETDEP( LNH4CORL ) ) * XC2\n INITGAS( LHNO3 ) = ( GAS( LHNO3 ) + 2.0 * GAS( LN2O5 ) ) * PRES_ATM\n & + ( LOADING( LNO3, ACC ) + LOADING( LNO3, COR ) + LOADING( LNO3, AKN ) ) * XL\n & - ( WETDEP( LNO3ACCL ) + WETDEP( LHNO3L ) + WETDEP( LNO3CORL ) ) * XC2\n INITGAS( LHCL ) = GAS( LHCL ) * PRES_ATM\n & + ( LOADING( LCL, ACC ) + LOADING( LCL, COR ) + LOADING( LCL, AKN ) ) * XL ! new for sea salt\n & - ( WETDEP( LCLACCL ) + WETDEP( LHCLL ) + WETDEP( LCLCORL ) ) * XC2\n INITGAS( LH2O2 ) = GAS( LH2O2 ) * PRES_ATM - WETDEP( LH2O2L ) * XC2\n INITGAS( LO3 ) = GAS( LO3 ) * PRES_ATM - WETDEP( LO3L ) * XC2\n INITGAS( LFOA ) = GAS( LFOA ) * PRES_ATM\n & - ( WETDEP( LFOAL ) + WETDEP( LHCO2L ) ) * XC2\n INITGAS( LMHP ) = GAS( LMHP ) * PRES_ATM - WETDEP( LMHPL ) * XC2\n INITGAS( LPAA ) = GAS( LPAA ) * PRES_ATM - WETDEP( LPAAL ) * XC2\n INITGAS( LCO2 ) = GAS( LCO2 ) * PRES_ATM\n! & + ( LOADING( LCACO3, COR ) + LOADING( LMGCO3, COR ) ) * XL\n & - ( WETDEP( LCO3L ) + WETDEP( LHCO3L ) + WETDEP( LCO2L ) ) * XC2\n INITGAS( LGLY ) = GAS( LGLY ) * PRES_ATM\n & + DGLY1 * XL\n & - WETDEP( LGLYL ) * XC2\n INITGAS( LMGLY ) = GAS( LMGLY ) * PRES_ATM\n & + DMGLY1 * XL\n & - WETDEP( LMGLYL ) * XC2\n INITGAS( LHO ) = GAS( LHO ) * PRES_ATM\n!steadystate & + DOH1 * XL\n!steadystate & - WETDEP( LOHL ) * XC2\n\n#ifdef sens\n DO NP = 1, NPMAX\n S_INITGAS( NP, LSO2 ) = S_GAS( NP, LSO2 ) * PRES_ATM\n & + S_DS4( NP, 0 ) * XL\n & - ( S_WETDEP( NP, LSO3L ) + S_WETDEP( NP, LHSO3L ) + S_WETDEP( NP, LSO2L ) ) * XC2\n S_INITGAS( NP, LNH3 ) = S_GAS( NP,LNH3 ) * PRES_ATM\n & + ( S_LOADING( NP, LNH4, ACC ) + S_LOADING( NP, LNH4, COR ) + S_LOADING( NP, LNH4, AKN ) ) * XL\n & - ( S_WETDEP( NP, LNH4ACCL ) + S_WETDEP( NP, LNH3L ) + S_WETDEP( NP, LNH4CORL ) ) * XC2\n S_INITGAS( NP, LHNO3 ) = ( S_GAS( NP, LHNO3 ) + 2.0 * S_GAS( NP, LN2O5 ) ) * PRES_ATM\n & + ( S_LOADING( NP, LNO3, ACC ) + S_LOADING( NP, LNO3, COR ) + S_LOADING( NP, LNO3, AKN ) ) * XL\n & - ( S_WETDEP( NP, LNO3ACCL ) + S_WETDEP( NP, LHNO3L ) + S_WETDEP( NP, LNO3CORL ) ) * XC2\n S_INITGAS( NP, LHCL ) = S_GAS( NP, LHCL ) * PRES_ATM\n & + ( S_LOADING( NP, LCL, ACC ) + S_LOADING( NP, LCL, COR ) + S_LOADING( NP, LCL, AKN ) ) * XL ! new for sea salt\n & - ( S_WETDEP( NP, LCLACCL ) + S_WETDEP( NP, LHCLL ) + S_WETDEP( NP, LCLCORL ) ) * XC2\n S_INITGAS( NP, LH2O2 ) = S_GAS( NP, LH2O2 ) * PRES_ATM - S_WETDEP( NP, LH2O2L ) * XC2\n S_INITGAS( NP, LO3 ) = S_GAS( NP, LO3 ) * PRES_ATM - S_WETDEP( NP, LO3L ) * XC2\n S_INITGAS( NP, LFOA ) = S_GAS( NP, LFOA ) * PRES_ATM\n & - ( S_WETDEP( NP, LFOAL ) + S_WETDEP( NP, LHCO2L ) ) * XC2\n S_INITGAS( NP, LMHP ) = S_GAS( NP, LMHP ) * PRES_ATM - S_WETDEP( NP, LMHPL ) * XC2\n S_INITGAS( NP, LPAA ) = S_GAS( NP, LPAA ) * PRES_ATM - S_WETDEP( NP, LPAAL ) * XC2\n S_INITGAS( NP, LCO2 ) = S_GAS( NP, LCO2 ) * PRES_ATM\n & - ( S_WETDEP( NP, LCO3L ) + S_WETDEP( NP, LHCO3L ) + S_WETDEP( NP, LCO2L ) ) * XC2\n S_INITGAS( NP, LGLY ) = S_GAS( NP, LGLY ) * PRES_ATM\n & + S_DGLY1( NP ) * XL\n & - S_WETDEP( NP, LGLYL ) * XC2\n S_INITGAS( NP, LMGLY ) = S_GAS( NP, LMGLY ) * PRES_ATM\n & + S_DMGLY1( NP ) * XL\n & - S_WETDEP( NP, LMGLYL ) * XC2\n S_INITGAS( NP, LHO ) = S_GAS( NP, LHO ) * PRES_ATM\n END DO\n#endif\n\n\nC...don`t allow gas concentrations to go below zero\n\nC...Molar concentrations of soluble aerosols\nC... = Initial amount - amount deposited (mol/liter)\n\n TS6COR = MAX( LOADING( LSO4, COR ) - WETDEP( LTS6CORL ) * XC1, 0.0D0 )\n NO3COR = MAX( LOADING( LNO3, COR ) - WETDEP( LNO3CORL ) * XC1, 0.0D0 )\n! NACOR = MAX( LOADING( LNA, COR ) - WETDEP( LNACORL ) * XC1, 0.0D0 ) ! SLN 29March2011\n CLCOR = MAX( LOADING( LCL, COR ) - WETDEP( LCLCORL ) * XC1, 0.0D0 )\n NH4COR = MAX( LOADING( LNH4, COR ) - WETDEP( LNH4CORL ) * XC1, 0.0D0 )\n SOILCOR = MAX( LOADING( LSOILC,COR ) - WETDEP( LSOILCL ) * XC1, 0.0D0 ) ! SLN 16March2011\n ANTHCOR = MAX( LOADING( LANTHC,COR ) - WETDEP( LANTHCL ) * XC1, 0.0D0 ) ! SLN 16March2011\n SEASCOR = MAX( LOADING( LSEASC,COR ) - WETDEP( LSEASCL ) * XC1, 0.0D0 ) ! SLN 16March2011\n FECOR = SOIL_FE_FAC * SOILCOR + CORS_FE_FAC * ANTHCOR ! SLN 22Mar2011\n MNCOR = SOIL_MN_FAC * SOILCOR + CORS_MN_FAC * ANTHCOR\n NACOR = SEAS_NA_FAC * SEASCOR + SOIL_NA_FAC * SOILCOR + CORS_NA_FAC * ANTHCOR\n MGCOR = SEAS_MG_FAC * SEASCOR + SOIL_MG_FAC * SOILCOR + CORS_MG_FAC * ANTHCOR\n CACOR = SEAS_CA_FAC * SEASCOR + SOIL_CA_FAC * SOILCOR + CORS_CA_FAC * ANTHCOR\n KCOR = SEAS_K_FAC * SEASCOR + SOIL_K_FAC * SOILCOR + CORS_K_FAC * ANTHCOR\n\n TS6 = LOADING( LSO4, AKN ) + LOADING( LSO4, ACC ) + TS6COR\n & - ( WETDEP( LSO4ACCL ) + WETDEP( LHSO4ACCL ) ) * XC1\n & - DS4( 0 )\n IF ( STM ) THEN\n TS6AQH2O2 = LOADING( LSO4AQH2O2, ACC ) - WETDEP( LTS6AQH2O2L ) * XC1\n & - DS4( 1 )\n TS6AQO3 = LOADING( LSO4AQO3, ACC ) - WETDEP( LTS6AQO3L ) * XC1\n & - DS4( 2 )\n TS6AQFEMN = LOADING( LSO4AQFEMN, ACC ) - WETDEP( LTS6AQFEMNL ) * XC1\n & - DS4( 3 )\n TS6AQMHP = LOADING( LSO4AQMHP, ACC ) - WETDEP( LTS6AQMHPL ) * XC1\n & - DS4( 4 )\n TS6AQPAA = LOADING( LSO4AQPAA, ACC ) - WETDEP( LTS6AQPAAL ) * XC1\n & - DS4( 5 )\n END IF\n\n NA = LOADING( LNA, ACC ) + LOADING( LNA, AKN ) + NACOR\n & - WETDEP( LNAACCL ) * XC1\n! CA = LOADING( LCACO3,COR ) - WETDEP( LCAL ) * XC1\n! MG = LOADING( LMGCO3,COR ) - WETDEP( LMGL ) * XC1\n! K = LOADING( LK, COR ) - WETDEP( LKL ) * XC1\n! FE = LOADING( LA3FE, COR ) - WETDEP( LFEL ) * XC1\n! MN = LOADING( LB2MN, COR ) - WETDEP( LMNL ) * XC1\n CA = LOADING( LCAACC, ACC) - WETDEP( LCAACCL ) * XC1 + CACOR\n MG = LOADING( LMGACC, ACC) - WETDEP( LMGACCL ) * XC1 + MGCOR\n K = LOADING( LKACC, ACC) - WETDEP( LKACCL ) * XC1 + KCOR\n FE = LOADING( LFEACC, ACC) - WETDEP( LFEACCL ) * XC1 + FECOR\n MN = LOADING( LMNACC, ACC) - WETDEP( LMNACCL ) * XC1 + MNCOR\n SOA = LOADING( LSOA, ACC ) + LOADING( LSOA, AKN ) - WETDEP( LSOAL ) * XC1\n ORGC = LOADING( LORGC, ACC ) + DORGC - WETDEP( LORGCL ) * XC1 ! new in-cloud organic\n POA = LOADING( LPOA, ACC ) + LOADING( LPOA, AKN ) - WETDEP( LPOAL ) * XC1\n EC = LOADING( LEC, ACC ) + LOADING( LEC, AKN ) - WETDEP( LECL ) * XC1\n PRIM = LOADING( LPRI, ACC ) + LOADING( LPRI, AKN ) - WETDEP( LPRIML ) * XC1\n! PRIMCOR = LOADING( LPRICOR, COR ) - WETDEP( LPRIMCORL ) * XC1\n NUMCOR = LOADING( LNUM, COR ) - WETDEP( LNUMCORL ) * XC1\n! A = 3.0D0 * FE\n! B = 2.0D0 * MN\n\t\n TRACI = LOADING( LTRACER_AKN, AKN ) - WETDEP( LTRACIL ) * XC1\n\tPOAI = LOADING( LPOA, AKN ) - WETDEP( LPOAIL ) * XC1\n\tPRII = LOADING( LPRI, AKN ) - WETDEP( LPRIIL ) * XC1\n\tSOAI = LOADING( LSOA, AKN ) - WETDEP( LSOAIL ) * XC1\n\n! FE_OX = 0.5D0 * 0.62D0 * FE ! SLN 28March2011\n! MN_OX = 1.0D0 * 0.84D0 * MN ! SLN 28March2011\n\n# ifdef sens\n DO NP = 1, NPMAX\n S_TS6COR(NP) = S_LOADING( NP, LSO4, COR ) - S_WETDEP( NP, LTS6CORL ) * XC1\n S_NO3COR(NP) = S_LOADING( NP, LNO3, COR ) - S_WETDEP( NP, LNO3CORL ) * XC1\n S_CLCOR(NP) = S_LOADING( NP, LCL, COR ) - S_WETDEP( NP, LCLCORL ) * XC1\n S_NH4COR(NP) = S_LOADING( NP, LNH4, COR ) - S_WETDEP( NP, LNH4CORL ) * XC1\n S_SOILCOR(NP) = S_LOADING( NP, LSOILC,COR ) - S_WETDEP( NP, LSOILCL ) * XC1\n S_ANTHCOR(NP) = S_LOADING( NP, LANTHC,COR ) - S_WETDEP( NP, LANTHCL ) * XC1\n S_SEASCOR(NP) = S_LOADING( NP, LSEASC,COR ) - S_WETDEP( NP, LSEASCL ) * XC1\n S_FECOR(NP) = SOIL_FE_FAC * S_SOILCOR( NP ) + CORS_FE_FAC * S_ANTHCOR( NP )\n S_MNCOR(NP) = SOIL_MN_FAC * S_SOILCOR( NP ) + CORS_MN_FAC * S_ANTHCOR( NP )\n S_NACOR(NP) = SEAS_NA_FAC * S_SEASCOR( NP ) + SOIL_NA_FAC * S_SOILCOR( NP ) + CORS_NA_FAC * S_ANTHCOR( NP )\n S_MGCOR(NP) = SEAS_MG_FAC * S_SEASCOR( NP ) + SOIL_MG_FAC * S_SOILCOR( NP ) + CORS_MG_FAC * S_ANTHCOR( NP )\n S_CACOR(NP) = SEAS_CA_FAC * S_SEASCOR( NP ) + SOIL_CA_FAC * S_SOILCOR( NP ) + CORS_CA_FAC * S_ANTHCOR( NP )\n S_KCOR(NP) = SEAS_K_FAC * S_SEASCOR( NP ) + SOIL_K_FAC * S_SOILCOR( NP ) + CORS_K_FAC * S_ANTHCOR( NP )\n\n S_TS6(NP) = S_LOADING( NP, LSO4, AKN ) + S_LOADING( NP, LSO4, ACC ) + S_TS6COR( NP )\n & - ( S_WETDEP( NP, LSO4ACCL ) + S_WETDEP( NP, LHSO4ACCL ) ) * XC1\n & - S_DS4( NP, 0 )\n S_NA(NP) = S_LOADING( NP, LNA, ACC ) + S_LOADING( NP, LNA, AKN ) + S_NACOR( NP )\n & - S_WETDEP( NP, LNAACCL ) * XC1\n S_CA(NP) = S_LOADING( NP, LCAACC, ACC) - S_WETDEP( NP, LCAACCL ) * XC1 + S_CACOR( NP )\n S_MG(NP) = S_LOADING( NP, LMGACC, ACC) - S_WETDEP( NP, LMGACCL ) * XC1 + S_MGCOR( NP )\n S_K(NP) = S_LOADING( NP, LKACC, ACC) - S_WETDEP( NP, LKACCL ) * XC1 + S_KCOR( NP )\n S_FE(NP) = S_LOADING( NP, LFEACC, ACC) - S_WETDEP( NP, LFEACCL ) * XC1 + S_FECOR( NP )\n S_MN(NP) = S_LOADING( NP, LMNACC, ACC) - S_WETDEP( NP, LMNACCL ) * XC1 + S_MNCOR( NP )\n S_SOA(NP) = S_LOADING( NP, LSOA, ACC ) + S_LOADING( NP, LSOA, AKN ) - S_WETDEP( NP, LSOAL ) * XC1\n S_ORGC(NP) = S_LOADING( NP, LORGC, ACC ) + S_DORGC( NP ) - S_WETDEP( NP, LORGCL ) * XC1\n S_POA(NP) = S_LOADING( NP, LPOA, ACC ) + S_LOADING( NP, LPOA, AKN ) - S_WETDEP( NP, LPOAL ) * XC1\n S_EC(NP) = S_LOADING( NP, LEC, ACC ) + S_LOADING( NP, LEC, AKN ) - S_WETDEP( NP, LECL ) * XC1\n S_PRIM(NP) = S_LOADING( NP, LPRI, ACC ) + S_LOADING( NP, LPRI, AKN ) - S_WETDEP( NP, LPRIML ) * XC1\n S_NUMCOR(NP) = S_LOADING( NP, LNUM, COR ) - S_WETDEP( NP, LNUMCORL ) * XC1\n\n END DO\n#endif\n\n\nC...don't allow aerosol concentrations to go below zero\n\n TS6 = MAX( TS6, 0.0D0 )\n IF ( STM ) THEN\n TS6AQH2O2 = MAX( TS6AQH2O2, 0.0D0 )\n TS6AQO3 = MAX( TS6AQO3, 0.0D0 )\n TS6AQFEMN = MAX( TS6AQFEMN, 0.0D0 )\n TS6AQMHP = MAX( TS6AQMHP, 0.0D0 )\n TS6AQPAA = MAX( TS6AQPAA, 0.0D0 )\n END IF\n NA = MAX( NA, 0.0D0 )\n CA = MAX( CA, 0.0D0 )\n MG = MAX( MG, 0.0D0 )\n K = MAX( K, 0.0D0 )\n FE = MAX( FE, 0.0D0 )\n MN = MAX( MN, 0.0D0 )\n SOA = MAX( SOA, 0.0D0 )\n ORGC = MAX( ORGC, 0.0D0 )\n POA = MAX( POA, 0.0D0 )\n EC = MAX( EC, 0.0D0 )\n PRIM = MAX( PRIM, 0.0D0 )\n! PRIMCOR = MAX( PRIMCOR, 0.0D0 )\n NUMCOR = MAX( NUMCOR, 0.0D0 )\n\t\n\tTRACI = MAX( TRACI, 0.0D0 )\n\tPOAI = MAX( POAI, 0.0D0 )\n\tPRII = MAX( PRII, 0.0D0 )\n\tSOAI = MAX( SOAI, 0.0D0 )\n\t\n FE_OX = FE_III * FE_SOL * FE ! GS 01July2011\n MN_OX = MN_II * MN_SOL * MN ! GS 01July2011\n\n A = 3.0D0 * FE_OX\n B = 2.0D0 * MN_OX\n\n SK6TS6 = SK6 * TS6\n\n#ifdef sens\n IF ( TS6 .EQ. 0.0D0 ) THEN\n DO NP =1 , NPMAX\n S_TS6( NP ) = 0.0D0\n END DO\n END IF\n\n IF ( NA .EQ. 0.0D0 ) THEN\n DO NP = 1, NPMAX\n S_NA( NP ) = 0.0D0\n END DO\n END IF\n\n IF ( CA .EQ. 0.0D0 ) THEN\n DO NP = 1, NPMAX\n S_CA( NP ) = 0.0D0\n END DO\n END IF\n\n IF ( MG .EQ. 0.0D0 ) THEN\n DO NP = 1, NPMAX\n S_MG( NP ) = 0.0D0\n END DO\n END IF\n\n IF ( K .EQ. 0.0D0 ) THEN\n DO NP = 1, NPMAX\n S_K( NP ) = 0.0D0\n END DO\n END IF\n\n IF ( FE .EQ. 0.0D0 ) THEN\n DO NP = 1, NPMAX\n S_FE( NP ) = 0.0D0\n END DO\n END IF\n\n IF ( MN .EQ. 0.0D0 ) THEN\n DO NP = 1, NPMAX\n S_MN( NP ) = 0.0D0\n END DO\n END IF\n\n IF ( SOA .EQ. 0.0D0 ) THEN\n DO NP = 1, NPMAX\n S_SOA( NP ) = 0.0D0\n END DO\n END IF\n\n IF ( ORGC .EQ. 0.0D0 ) THEN\n DO NP = 1, NPMAX\n S_ORGC( NP ) = 0.0D0\n END DO\n END IF\n\n IF ( POA .EQ. 0.0D0 ) THEN\n DO NP = 1, NPMAX\n S_POA( NP ) = 0.0D0\n END DO\n END IF\n\n IF ( EC .EQ. 0.0D0 ) THEN\n DO NP = 1, NPMAX\n S_EC( NP ) = 0.0D0\n END DO\n END IF\n\n IF ( PRIM .EQ. 0.0D0 ) THEN\n DO NP = 1, NPMAX\n S_PRIM( NP ) = 0.0D0\n END DO\n END IF\n\n IF ( NUMCOR .EQ. 0.0D0 ) THEN\n DO NP = 1, NPMAX\n S_NUMCOR( NP ) = 0.0D0\n END DO\n END IF\n\n DO NP = 1, NPMAX\n\n S_FE_OX( NP ) = FE_III * FE_SOL * S_FE( NP )\n S_MN_OX( NP ) = MN_II * MN_SOL * S_MN( NP )\n\n S_A( NP ) = 3.0D0 * S_FE_OX( NP )\n S_B( NP ) = 2.0D0 * S_MN_OX( NP )\n\n S_SK6TS6( NP ) = SK6 * S_TS6( NP )\n\n END DO\n#endif\n\n\nC...find solution of the equation using a method of reiterative\nC... bisections Make initial guesses for pH: between .01 to 10.\n\n HA = 0.01D0\n HB = 10.0D0\n\nC...don't allow gas concentrations to go below zero\n\n DO IGAS = 1, NGAS\n INITGAS( IGAS ) = MAX( INITGAS( IGAS ), 0.0D0 )\n END DO\n\n#ifdef sens\n DO IGAS = 1, NGAS\n IF ( INITGAS( IGAS ) .EQ. 0.0D0 ) THEN\n DO NP = 1, NPMAX\n S_INITGAS( NP, IGAS ) = 0.0D0\n END DO\n END IF\n END DO\n#endif\n\nC...Aerosol specific to TXHG Versions\n\n TRACER = LOADING( LTRACER_ACC, ACC ) + LOADING( LTRACER_AKN, AKN )\n & - WETDEP( LTRACERL ) * XC1\n TRACER = MAX( TRACER, 0.0D0 )\n \n TRACERCOR = LOADING( LTRACER_COR, COR ) - WETDEP( LTRACERCORL ) * XC1\n TRACERCOR = MAX( TRACERCOR, 0.0D0 )\n \n HGFINE = LOADING( LPHG_ACC, ACC ) + LOADING( LPHG_AKN, AKN )\n & - WETDEP( LPHGFINEL ) * XC1\n HGFINE = MAX( HGFINE, 0.0D0 )\n\n HGCOR = LOADING( LPHG_COR, COR ) - WETDEP( LPHGCORL ) * XC1\n HGCOR = MAX( HGCOR , 0.0D0 )\n\n DO I7777C = 1, 10001\n\n IF ( I7777C .GE. 10000 ) THEN\n XMSG = 'EXCESSIVE LOOPING AT I7777C'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n\n HA = MAX( HA - 0.8D0, 0.1D0 )\n HB = MIN( HB + 0.8D0, 9.9D0 )\n AE = 10.0D0 ** ( -HA )\n\n RECIPA1 = 1.0D0 / ( AE * ACT1 )\n RECIPA2 = 1.0D0 / ( AE * AE * ACT2 )\n\nC...calculate final gas phase partial pressure of SO2, NH3, HNO3\nC... HCOOH, and CO2 (atm)\n\n PSO2F = INITGAS( LSO2 ) / ( 1.0D0 + XLSO2 * ( 1.0D0 + SO21 * RECIPA1\n & + SO212 * RECIPA2 ) )\n\n PNH3F = INITGAS( LNH3 ) / ( 1.0D0 + XLNH3 * ( 1.0D0 + NH3DH20 * AE ) )\n\n PHCLF = INITGAS( LHCL ) / ( 1.0D0 + XLHCL * ( 1.0D0 + HCL1 * RECIPA1 ) )\n\n PFOAF = INITGAS( LFOA ) / ( 1.0D0 + XL * ( FOAH + FOA1H * RECIPA1 ) )\n\n PHNO3F = INITGAS( LHNO3 ) / ( 1.0D0 + XLHNO3 * ( 1.0D0 + HNO31 * RECIPA1 ) )\n\n PCO2F = INITGAS( LCO2 ) / ( 1.0D0 + XLCO2 * ( 1.0D0 + CO21 * RECIPA1\n & + CO212 * RECIPA2 ) )\n\nC...calculate liquid phase concentrations (moles/liter)\n\n SO4 = SK6TS6 / ( AE * GM2 + SK6 )\n HSO4 = TS6 - SO4\n SO3 = SO212H * PSO2F * RECIPA2\n HSO3 = SO21H * PSO2F * RECIPA1\n CO3 = CO212H * PCO2F * RECIPA2\n HCO3 = CO21H * PCO2F * RECIPA1\n OH = H2OW * RECIPA1\n NH4 = NH31HDH * PNH3F * AE\n HCO2 = FOA1H * PFOAF * RECIPA1\n NO3 = HNO31H * PHNO3F * RECIPA1\n CL = HCL1H * PHCLF * RECIPA1 ! new for sea salt\n\nC...compute functional value\n\n! FA = AE + NH4 + NA + 2.0D0 * ( CA + MG - CO3 - SO3 - SO4 )\n! & - OH - HCO3 - HSO3 - NO3 - HSO4 - HCO2 - CL\n FA = AE + NH4 + NA + K + 2.0D0 * ( CA + MG - CO3 - SO3 - SO4 ) ! SLN 16March2011\n & - OH - HCO3 - HSO3 - NO3 - HSO4 - HCO2 - CL\n\nC...Start iteration and bisection ****************<<<<<<<\n DO I30C = 1, 10000\n\n IF ( I30C .GE. 10000 ) THEN\n XMSG = 'EXCESSIVE LOOPING AT I30C'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n\n BB = ( HA + HB ) / 2.0D0\n AE = 10.0D0 ** ( -BB )\n\n ICNTAQ = ICNTAQ + 1\n IF ( ICNTAQ .GE. 60000 ) THEN\n XMSG = 'Maximum AQCHEM total iterations exceeded'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n\n RECIPA1 = 1.0D0 / ( AE * ACT1 )\n RECIPA2 = 1.0D0 / ( AE * AE * ACT2 )\n\nC...calculate final gas phase partial pressure of SO2, NH3, HCL, HNO3\nC... HCOOH, and CO2 (atm)\n\n PSO2F = INITGAS( LSO2 ) / ( 1.0D0 + XLSO2\n & * ( 1.0D0 + SO21 * RECIPA1 + SO212 * RECIPA2 ) )\n\n PNH3F = INITGAS( LNH3 ) / ( 1.0D0 + XLNH3 * ( 1.0D0 + NH3DH20 * AE ) )\n\n PHCLF = INITGAS( LHCL ) / ( 1.0D0 + XLHCL * ( 1.0D0 + HCL1 * RECIPA1 ) )\n\n PHNO3F = INITGAS( LHNO3 ) / ( 1.0D0 + XLHNO3 * ( 1.0D0 + HNO31 * RECIPA1 ) )\n\n PFOAF = INITGAS( LFOA ) / ( 1.0D0 + XL * ( FOAH + FOA1H * RECIPA1 ) )\n\n PCO2F = INITGAS( LCO2 ) / ( 1.0D0 + XLCO2 * ( 1.0D0 + CO21 * RECIPA1\n & + CO212 * RECIPA2 ) )\n\nC...calculate liquid phase concentrations (moles/liter)\n\n SO4 = SK6TS6 / ( AE * GM2 + SK6 )\n HSO4 = TS6 - SO4\n SO3 = SO212H * PSO2F * RECIPA2\n HSO3 = SO21H * PSO2F * RECIPA1\n CO3 = CO212H * PCO2F * RECIPA2\n HCO3 = CO21H * PCO2F * RECIPA1\n OH = H2OW * RECIPA1\n NH4 = NH31HDH * PNH3F * AE\n HCO2 = FOA1H * PFOAF * RECIPA1\n NO3 = HNO31H * PHNO3F * RECIPA1\n CL = HCL1H * PHCLF * RECIPA1 ! new for sea salt\n\nC...compute functional value\n! FB = AE + NH4 + NA + 2.0D0 * ( CA + MG - CO3 - SO3 - SO4 )\n! & - OH - HCO3 - HSO3 - NO3 - HSO4 - HCO2 - CL\n FB = AE + NH4 + NA + K + 2.0D0 * ( CA + MG - CO3 - SO3 - SO4 ) ! SLN 16March2011\n & - OH - HCO3 - HSO3 - NO3 - HSO4 - HCO2 - CL\n\nC...Calculate and check the sign of the product of the two functional values\n\n FTST = FA * FB\n IF ( FTST .LE. 0.0D0 ) THEN\n HB = BB\n ELSE\n HA = BB\n FA = FB\n END IF\n\nC...Check convergence of solutions\n\n HTST = HA / HB\n IF ( HTST .GT. TST ) EXIT ! exit loop I30C\n END DO ! I30C\n\nC...end of zero-finding routine ****************<<<<<<<<<<<<\n\nC...compute Ionic strength and activity coefficient by the Davies equation\n\n STION = 0.5D0\n & * ( AE + NH4 + OH + HCO3 + HSO3\n & + 4.0D0 * ( SO4 + CO3 + SO3 + CA + MG + MN_OX )\n & + NO3 + HSO4 + 9.0D0 * FE_OX + NA + K + CL + A + B + HCO2 ) ! KMF 08September2011\nC & + 4.0D0 * ( SO4 + CO3 + SO3 + CA + MG + MN )\nC & + NO3 + HSO4 + 9.0D0 * FE + NA + K + CL + A + B + HCO2 )\n GM1LOG = -0.509D0 * ( SQRT( STION )\n & / ( 1.0D0 + SQRT( STION ) ) - 0.2D0 * STION )\n GM2LOG = GM1LOG * 4.0D0\n GM1 = 10.0D0 ** GM1LOG\n GM2 = MAX( 10.0D0 ** GM2LOG, 1.0D-30 )\n ACTB = ACT1\n ACT1 = MAX( GM1 * GM1, 1.0D-30 )\n ACT2 = MAX( GM1 * GM1 * GM2, 1.0D-30 )\n\n#ifdef verbose\n if ( stion .gt. 1.0 ) then\n write( logdev,'( /5x, a, 2i4, i10.6 )' )\n & 'aqchem-I7777C,I20C: ', i7777c, i20c, jtime\n write( logdev,'( 5x, a, e10.3 )' ) 'stion: ', stion\n write( logdev,'( 5x, a, e10.3 )' ) 'AE: ', ae\n write( logdev,'( 5x, a, e10.3 )' ) 'NH4: ', nh4\n write( logdev,'( 5x, a, e10.3 )' ) 'OH: ', oh\n write( logdev,'( 5x, a, e10.3 )' ) 'HCO3: ', hco3\n write( logdev,'( 5x, a, e10.3 )' ) 'HSO3: ', hso3\n write( logdev,'( 5x, a, e10.3 )' ) 'SO4: ', so4\n write( logdev,'( 5x, a, e10.3 )' ) 'CO3: ', co3\n write( logdev,'( 5x, a, e10.3 )' ) 'SO3: ', so3\n write( logdev,'( 5x, a, e10.3 )' ) 'CA: ', ca\n write( logdev,'( 5x, a, e10.3 )' ) 'MG: ', mg\n write( logdev,'( 5x, a, e10.3 )' ) 'MN: ', mn\n write( logdev,'( 5x, a, e10.3 )' ) 'NO3: ', no3\n write( logdev,'( 5x, a, e10.3 )' ) 'HSO4: ', hso4\n write( logdev,'( 5x, a, e10.3 )' ) 'FE: ', fe\n write( logdev,'( 5x, a, e10.3 )' ) 'NA: ', na\n write( logdev,'( 5x, a, e10.3 )' ) 'K: ', k\n write( logdev,'( 5x, a, e10.3 )' ) 'CL: ', cl\n write( logdev,'( 5x, a, e10.3 )' ) 'A: ', a\n write( logdev,'( 5x, a, e10.3 )' ) 'B: ', b\n write( logdev,'( 5x, a, e10.3 )' ) 'HCO2: ', hco2\n write( logdev,'( 5x, a, e10.3 )' ) 'gm1log:', gm1log\n write( logdev,'( 5x, a, e10.3 )' ) 'gm2log:', gm2log\n write( logdev,'( 5x, a, e10.3 )' ) 'gm1: ', gm1\n write( logdev,'( 5x, a, e10.3 )' ) 'gm2: ', gm2\n write( logdev,'( 5x, a, e10.3 )' ) 'actb: ', actb\n write( logdev,'( 5x, a, e10.3 )' ) 'act1: ', act1\n write( logdev,'( 5x, a, e10.3 )' ) 'act2: ', act2\n end if\n#endif\n\nC...check for convergence and possibly go to I7777C, to recompute\nC... Gas and liquid phase concentrations\n\n TAC = ABS( ACTB - ACT1 ) / ACTB\n IF ( TAC .LT. 1.0D-2 ) EXIT ! exit loop I7777C\n END DO ! end of do loop I7777C\n\nC...return an error if the pH is not in range\n\n IF ( ( HA .LT. 0.1D0 ) .OR. ( HA .GT. 9.9D0 ) ) THEN\n! write( logdev,* ) ha\n XMSG = 'PH VALUE OUT OF RANGE'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n\n#ifdef sens\n DO NP = 1, NPMAX\nC...calculate final gas phase partial pressure of SO2, NH3, HCL, HNO3\nC... HCOOH, and CO2 (atm)\n S_PSO2F( NP ) = S_INITGAS( NP, LSO2 ) / ( 1.0D0 + XLSO2\n & * ( 1.0D0 + SO21 * RECIPA1 + SO212 * RECIPA2 ) )\n S_PNH3F( NP ) = S_INITGAS( NP, LNH3 ) / ( 1.0D0 + XLNH3 * ( 1.0D0 + NH3DH20 * AE ) )\n S_PHCLF( NP ) = S_INITGAS( NP, LHCL ) / ( 1.0D0 + XLHCL * ( 1.0D0 + HCL1 * RECIPA1 ) )\n S_PHNO3F( NP ) = S_INITGAS( NP, LHNO3 ) / ( 1.0D0 + XLHNO3 * ( 1.0D0 + HNO31 * RECIPA1 ) )\n S_PFOAF( NP ) = S_INITGAS( NP, LFOA ) / ( 1.0D0 + XL * ( FOAH + FOA1H * RECIPA1 ) )\n S_PCO2F( NP ) = S_INITGAS( NP, LCO2 ) / ( 1.0D0 + XLCO2 * ( 1.0D0 + CO21 * RECIPA1\n & + CO212 * RECIPA2 ) )\nC...calculate liquid phase concentrations (moles/liter)\n S_SO4( NP ) = S_SK6TS6( NP ) / ( AE * GM2 + SK6 )\n S_HSO4( NP ) = S_TS6( NP ) - S_SO4( NP )\n S_SO3( NP ) = SO212H * S_PSO2F( NP ) * RECIPA2\n S_HSO3( NP ) = SO21H * S_PSO2F( NP ) * RECIPA1\n S_CO3( NP ) = CO212H * S_PCO2F( NP ) * RECIPA2\n S_HCO3( NP ) = CO21H * S_PCO2F( NP ) * RECIPA1\n S_NH4( NP ) = NH31HDH * S_PNH3F( NP ) * AE\n S_HCO2( NP ) = FOA1H * S_PFOAF( NP ) * RECIPA1\n S_NO3( NP ) = HNO31H * S_PHNO3F( NP ) * RECIPA1\n S_CL( NP ) = HCL1H * S_PHCLF( NP ) * RECIPA1\nC...compute functional value\nc FB = AE + NH4 + NA + K + 2.0D0 * ( CA + MG - CO3 - SO3 - SO4 )\nc & - OH - HCO3 - HSO3 - NO3 - HSO4 - HCO2 - CL\n END DO\n#endif\n\nC...Make those concentration calculations which can be made outside\nC... of the function.\n\n SO2L = SO2H * PSO2F\n HPLUS = 10.0D0 ** ( -BB )\n SIV = SO3 + HSO3 + SO2L\n\nC...Calculate final gas phase concentrations of oxidants (atm)\n\n PH2O2F = ( INITGAS( LH2O2 ) + XL * DS4( 1 ) ) / ( 1.0D0 + XLH2O2 )\n PO3F = ( INITGAS( LO3 ) + XL * DS4( 2 ) ) / ( 1.0D0 + XLO3 )\n PMHPF = ( INITGAS( LMHP ) + XL * DS4( 4 ) ) / ( 1.0D0 + XLMHP )\n PPAAF = ( INITGAS( LPAA ) + XL * DS4( 5 ) ) / ( 1.0D0 + XLPAA )\n PGLYF = ( INITGAS( LGLY ) ) / ( 1.0D0 + GLYH * XL )\n PMGLYF = ( INITGAS( LMGLY ) ) / ( 1.0D0 + MGLYH * XL )\n PHOF = ( INITGAS( LHO ) ) / ( 1.0D0 + HOH * XL)\n\n PH2O2F = MAX( PH2O2F, 0.0D0 )\n PO3F = MAX( PO3F, 0.0D0 )\n PMHPF = MAX( PMHPF, 0.0D0 )\n PPAAF = MAX( PPAAF, 0.0D0 )\n\nC...Calculate liquid phase concentrations of oxidants (moles/liter)\n\n H2O2L = PH2O2F * H2O2H\n O3L = PO3F * O3H\n MHPL = PMHPF * MHPH\n PAAL = PPAAF * PAAH\n FOAL = PFOAF * FOAH\n NH3L = PNH3F * NH3H\n CO2L = PCO2F * CO2H\n HCLL = PHCLF * HCLH\n HNO3L = PHNO3F * HNO3H\n GLYL = PGLYF * GLYH\n MGLYL = PMGLYF * MGLYH\n OHL = PHOF * HOH\n\nC...compute modal concentrations\n\n SO4COR = SK6 * TS6COR / ( AE * GM2 + SK6 )\n HSO4COR = MAX( TS6COR - SO4COR, 0.0D0 )\n\n TS6ACC = MAX( TS6 - TS6COR, 0.0D0 )\n SO4ACC = MAX( SO4 - SO4COR, 0.0D0 )\n HSO4ACC = MAX( HSO4 - HSO4COR, 0.0D0 )\n NAACC = MAX( NA - NACOR, 0.0D0 )\n CAACC = MAX( CA - CACOR, 0.0D0 ) ! AE6\n MGACC = MAX( MG - MGCOR, 0.0D0 ) ! AE6\n KACC = MAX( K - KCOR, 0.0D0 ) ! AE6\n FEACC = MAX( FE - FECOR, 0.0D0 ) ! AE6\n MNACC = MAX( MN - MNCOR, 0.0D0 ) ! AE6\n\n#ifdef sens\n DO NP = 1, NPMAX\n S_SO2L( NP ) = SO2H * S_PSO2F( NP )\n S_SIV( NP ) = S_SO3( NP ) + S_HSO3( NP ) + S_SO2L( NP )\n\n S_PH2O2F( NP ) = ( S_INITGAS( NP, LH2O2 ) + XL * S_DS4( NP, 1 ) ) / ( 1.0D0 + XLH2O2 )\n S_PO3F( NP ) = ( S_INITGAS( NP, LO3 ) + XL * S_DS4( NP, 2 ) ) / ( 1.0D0 + XLO3 )\n S_PMHPF( NP ) = ( S_INITGAS( NP, LMHP ) + XL * S_DS4( NP, 4 ) ) / ( 1.0D0 + XLMHP )\n S_PPAAF( NP ) = ( S_INITGAS( NP, LPAA ) + XL * S_DS4( NP, 5 ) ) / ( 1.0D0 + XLPAA )\n S_PGLYF( NP ) = ( S_INITGAS( NP, LGLY ) ) / ( 1.0D0 + GLYH * XL )\n S_PMGLYF( NP ) = ( S_INITGAS( NP, LMGLY ) ) / ( 1.0D0 + MGLYH * XL )\n S_PHOF( NP ) = ( S_INITGAS( NP, LHO ) ) / ( 1.0D0 + HOH * XL)\n END DO\n\n IF ( PH2O2F .EQ. 0.0D0 ) THEN\n DO NP = 1, NPMAX\n S_PH2O2F( NP ) = 0.0D0\n END DO\n END IF\n\n IF ( PO3F .EQ. 0.0D0 ) THEN\n DO NP = 1, NPMAX\n S_PO3F( NP ) = 0.0D0\n END DO\n END IF\n\n IF ( PMHPF .EQ. 0.0D0 ) THEN\n DO NP = 1, NPMAX\n S_PMHPF( NP ) = 0.0D0\n END DO\n END IF\n\n IF ( PPAAF .EQ. 0.0D0 ) THEN\n DO NP = 1, NPMAX\n S_PPAAF( NP ) = 0.0D0\n END DO\n END IF\n\n DO NP = 1, NPMAX\n S_H2O2L( NP ) = S_PH2O2F( NP ) * H2O2H\n S_O3L( NP ) = S_PO3F( NP ) * O3H\n S_MHPL( NP ) = S_PMHPF( NP ) * MHPH\n S_PAAL( NP ) = S_PPAAF( NP ) * PAAH\n S_FOAL( NP ) = S_PFOAF( NP ) * FOAH\n S_NH3L( NP ) = S_PNH3F( NP ) * NH3H\n S_CO2L( NP ) = S_PCO2F( NP ) * CO2H\n S_HCLL( NP ) = S_PHCLF( NP ) * HCLH\n S_HNO3L( NP ) = S_PHNO3F( NP ) * HNO3H\n S_GLYL( NP ) = S_PGLYF( NP ) * GLYH\n S_MGLYL( NP ) = S_PMGLYF( NP ) * MGLYH\n S_OHL( NP ) = S_PHOF( NP ) * HOH\n\n S_SO4COR( NP ) = SK6 * S_TS6COR( NP ) / ( AE * GM2 + SK6 )\n S_HSO4COR( NP ) = S_TS6COR( NP ) - S_SO4COR( NP )\n S_TS6ACC( NP ) = S_TS6( NP ) - S_TS6COR( NP )\n S_SO4ACC( NP ) = S_SO4( NP ) - S_SO4COR( NP )\n S_HSO4ACC( NP ) = S_HSO4( NP ) - S_HSO4COR( NP )\n S_NO3ACC( NP ) = S_NO3( NP ) - S_NO3COR( NP )\n S_NAACC( NP ) = S_NA( NP ) - S_NACOR( NP )\n S_CLACC( NP ) = S_CL( NP ) - S_CLCOR( NP )\n S_NH4ACC( NP ) = S_NH4( NP ) - S_NH4COR( NP )\n S_CAACC( NP ) = S_CA( NP ) - S_CACOR( NP )\n S_MGACC( NP ) = S_MG( NP ) - S_MGCOR( NP )\n S_KACC( NP ) = S_K( NP ) - S_KCOR( NP )\n S_FEACC( NP ) = S_FE( NP ) - S_FECOR( NP )\n S_MNACC( NP ) = S_MN( NP ) - S_MNCOR( NP )\n END DO\n\nc IF ( HSO4COR .EQ. 0.0D0 ) THEN\nc DO NP = 1, NPMAX\nc S_HSO4COR( NP ) = 0.0D0\nc END DO\nc END IF\n\n IF ( TS6ACC .EQ. 0.0D0 ) THEN\n DO NP = 1, NPMAX\n S_TS6ACC( NP ) = 0.0D0\n END DO\n END IF\n\n IF ( SO4ACC .EQ. 0.0D0 ) THEN\n DO NP = 1, NPMAX\n S_SO4ACC( NP ) = 0.0D0\n END DO\n END IF\n\n IF ( HSO4ACC .EQ. 0.0D0 ) THEN\n DO NP = 1, NPMAX\n S_HSO4ACC( NP ) = 0.0D0\n END DO\n END IF\n\nc IF ( NO3ACC .EQ. 0.0D0 ) THEN\nc DO NP = 1, NPMAX\nc S_NO3ACC( NP ) = 0.0D0\nc END DO\nc END IF\n\n IF ( NAACC .EQ. 0.0D0 ) THEN\n DO NP = 1, NPMAX\n S_NAACC( NP ) = 0.0D0\n END DO\n END IF\n\nc IF ( CLACC .EQ. 0.0D0 ) THEN\nc DO NP = 1, NPMAX\nc S_CLACC( NP ) = 0.0D0\nc END DO\nc END IF\n\nc IF ( NH4ACC .EQ. 0.0D0 ) THEN\nc DO NP = 1, NPMAX\nc S_NH4ACC( NP ) = 0.0D0\nc END DO\nc END IF\n\n IF ( CAACC .EQ. 0.0D0 ) THEN\n DO NP = 1, NPMAX\n S_CAACC( NP ) = 0.0D0\n END DO\n END IF\n\n IF ( MGACC .EQ. 0.0D0 ) THEN\n DO NP = 1, NPMAX\n S_MGACC( NP ) = 0.0D0\n END DO\n END IF\n\n IF ( KACC .EQ. 0.0D0 ) THEN\n DO NP = 1, NPMAX\n S_KACC( NP ) = 0.0D0\n END DO\n END IF\n\n IF ( FEACC .EQ. 0.0D0 ) THEN\n DO NP = 1, NPMAX\n S_FEACC( NP ) = 0.0D0\n END DO\n END IF\n\n IF ( MNACC .EQ. 0.0D0 ) THEN\n DO NP = 1, NPMAX\n S_MNACC( NP ) = 0.0D0\n END DO\n END IF\n#endif\n\nC...Avoid adding mass when the coarse mode concentration is greater\nC... than the total amount left in the aqueous phase after redistribution\nC... of a species between the gas/aqueous phases\n\n IF ( NO3COR .GT. NO3 ) then\n NO3ACC = (1.0D0 - FNO3COR) * NO3\n NO3COR = FNO3COR * NO3\n ELSE\n NO3ACC = MAX( NO3 - NO3COR, 0.0D0 )\n END IF\n\n IF ( CLCOR .GT. CL ) then\n CLACC = (1.0D0 - FCLCOR) * CL\n CLCOR = FCLCOR * CL\n ELSE\n CLACC = MAX( CL - CLCOR, 0.0D0 )\n END IF\n\n IF ( NH4COR .GT. NH4 ) THEN\n NH4ACC = (1.0D0 - FNH4COR) * NH4\n NH4COR = FNH4COR * NH4\n ELSE\n NH4ACC = MAX( NH4 - NH4COR, 0.0D0 )\n END IF\n\nC...load the liquid concentration array with current values\n\n LIQUID( LACL ) = HPLUS\n LIQUID( LNH4ACCL ) = NH4ACC\n LIQUID( LCACORL ) = CACOR\n LIQUID( LNAACCL ) = NAACC\n LIQUID( LOHL ) = OHL\n LIQUID( LSO4ACCL ) = SO4ACC\n LIQUID( LHSO4ACCL ) = HSO4ACC\n LIQUID( LSO3L ) = SO3\n LIQUID( LHSO3L ) = HSO3\n LIQUID( LSO2L ) = SO2L\n LIQUID( LCO3L ) = CO3\n LIQUID( LHCO3L ) = HCO3\n LIQUID( LCO2L ) = CO2L\n LIQUID( LNO3ACCL ) = NO3ACC\n LIQUID( LNH3L ) = NH3L\n LIQUID( LCLACCL ) = CLACC\n LIQUID( LH2O2L ) = H2O2L\n LIQUID( LO3L ) = O3L\n LIQUID( LFECORL ) = FECOR\n LIQUID( LMNCORL ) = MNCOR\n LIQUID( LAL ) = A\n LIQUID( LFOAL ) = FOAL\n LIQUID( LHCO2L ) = HCO2\n LIQUID( LMHPL ) = MHPL\n LIQUID( LPAAL ) = PAAL\n LIQUID( LHCLL ) = HCLL\n LIQUID( LPRIML ) = PRIM\n LIQUID( LMGCORL ) = MGCOR\n LIQUID( LKCORL ) = KCOR\n LIQUID( LBL ) = B\n LIQUID( LHNO3L ) = HNO3L\n! LIQUID( LPRIMCORL ) = PRIMCOR\n LIQUID( LNUMCORL ) = NUMCOR\n LIQUID( LTS6CORL ) = TS6COR\n LIQUID( LNACORL ) = NACOR\n LIQUID( LCLCORL ) = CLCOR\n LIQUID( LNO3CORL ) = NO3COR\n LIQUID( LNH4CORL ) = NH4COR\n LIQUID( LPOAL ) = POA\n LIQUID( LECL ) = EC\n LIQUID( LSOAL ) = SOA\n LIQUID( LORGCL ) = ORGC\n LIQUID( LGLYL ) = GLYL\n LIQUID( LMGLYL ) = MGLYL\n LIQUID( LCAACCL ) = CAACC ! AE6 - SLN 16March2011\n LIQUID( LMGACCL ) = MGACC ! AE6 - SLN 16March2011\n LIQUID( LKACCL ) = KACC ! AE6 - SLN 16March2011\n LIQUID( LSOILCL ) = SOILCOR ! AE6 - SLN 16March2011\n LIQUID( LANTHCL ) = ANTHCOR ! AE6 - SLN 16March2011\n LIQUID( LSEASCL ) = SEASCOR ! AE6 - SLN 16March2011\n LIQUID( LFEACCL ) = FEACC ! AE6 - SLN 22March2011\n LIQUID( LMNACCL ) = MNACC ! AE6 - SLN 22March2011\n\t\n\tLIQUID( LTRACIL ) = TRACI\n\tLIQUID( LPOAIL ) = POAI\n\tLIQUID( LPRIIL ) = PRII\n\tLIQUID( LSOAIL ) = SOAI\n \n\tIF ( STM ) THEN\n LIQUID( LTS6AQH2O2L ) = TS6AQH2O2\n LIQUID( LTS6AQO3L ) = TS6AQO3\n LIQUID( LTS6AQFEMNL ) = TS6AQFEMN\n LIQUID( LTS6AQMHPL ) = TS6AQMHP\n LIQUID( LTS6AQPAAL ) = TS6AQPAA\n END IF\n\n#ifdef sens\n S_LIQUID = 0.0D0\n DO NP = 1, NPMAX\nc S_LIQUID( NP, LACL ) = S_AC( NP ) \n S_LIQUID( NP, LNH4ACCL ) = S_NH4ACC( NP)\n S_LIQUID( NP, LCACORL ) = S_CACOR( NP )\n S_LIQUID( NP, LNAACCL ) = S_NAACC( NP )\n S_LIQUID( NP, LOHL ) = S_OHL( NP )\n S_LIQUID( NP, LSO4ACCL ) = S_SO4ACC( NP )\n S_LIQUID( NP, LHSO4ACCL ) = S_HSO4ACC( NP )\n S_LIQUID( NP, LSO3L ) = S_SO3( NP )\n S_LIQUID( NP, LHSO3L ) = S_HSO3( NP )\n S_LIQUID( NP, LSO2L ) = S_SO2L( NP )\n S_LIQUID( NP, LCO3L ) = S_CO3( NP )\n S_LIQUID( NP, LHCO3L ) = S_HCO3( NP )\n S_LIQUID( NP, LCO2L ) = S_CO2L( NP )\n S_LIQUID( NP, LNO3ACCL ) = S_NO3ACC( NP )\n S_LIQUID( NP, LNH3L ) = S_NH3L( NP )\n S_LIQUID( NP, LCLACCL ) = S_CLACC( NP )\n S_LIQUID( NP, LH2O2L ) = S_H2O2L( NP )\n S_LIQUID( NP, LO3L ) = S_O3L( NP )\n S_LIQUID( NP, LFECORL ) = S_FECOR( NP )\n S_LIQUID( NP, LMNCORL ) = S_MNCOR( NP )\nc S_LIQUID( NP, LAL ) = S_A( NP )\n S_LIQUID( NP, LFOAL ) = S_FOAL( NP )\n S_LIQUID( NP, LHCO2L ) = S_HCO2( NP )\n S_LIQUID( NP, LMHPL ) = S_MHPL( NP )\n S_LIQUID( NP, LPAAL ) = S_PAAL( NP )\n S_LIQUID( NP, LHCLL ) = S_HCLL( NP )\n S_LIQUID( NP, LPRIML ) = S_PRIM( NP )\n S_LIQUID( NP, LMGCORL ) = S_MGCOR( NP )\n S_LIQUID( NP, LKCORL ) = S_KCOR( NP )\nc S_LIQUID( NP, LBL ) = S_B( NP )\n S_LIQUID( NP, LHNO3L ) = S_HNO3L( NP )\n S_LIQUID( NP, LNUMCORL ) = S_NUMCOR( NP )\n S_LIQUID( NP, LTS6CORL ) = S_TS6COR( NP )\n S_LIQUID( NP, LNACORL ) = S_NACOR( NP )\n S_LIQUID( NP, LCLCORL ) = S_CLCOR( NP )\n S_LIQUID( NP, LNO3CORL ) = S_NO3COR( NP )\n S_LIQUID( NP, LNH4CORL ) = S_NH4COR( NP )\n S_LIQUID( NP, LPOAL ) = S_POA( NP )\n S_LIQUID( NP, LECL ) = S_EC( NP )\n S_LIQUID( NP, LSOAL ) = S_SOA( NP )\n S_LIQUID( NP, LORGCL ) = S_ORGC( NP )\n S_LIQUID( NP, LGLYL ) = S_GLYL( NP )\n S_LIQUID( NP, LMGLYL ) = S_MGLYL( NP )\n S_LIQUID( NP, LCAACCL ) = S_CAACC( NP )\n S_LIQUID( NP, LMGACCL ) = S_MGACC( NP )\n S_LIQUID( NP, LKACCL ) = S_KACC( NP )\n S_LIQUID( NP, LSOILCL ) = S_SOILCOR( NP )\n S_LIQUID( NP, LANTHCL ) = S_ANTHCOR( NP )\n S_LIQUID( NP, LSEASCL ) = S_SEASCOR( NP )\n S_LIQUID( NP, LFEACCL ) = S_FEACC( NP )\n S_LIQUID( NP, LMNACCL ) = S_MNACC( NP )\n END DO\n#endif\n\nC...Load array variable TXHG Version\n\n LIQUID( LTRACERL ) = TRACER\n LIQUID( LTRACERCORL ) = TRACERCOR\n LIQUID( LPHGFINEL ) = HGFINE\n LIQUID( LPHGCORL ) = HGCOR\n\n\nC...if the maximum cloud lifetime has not been reached, then compute\nC... the next timestep, else exit loop 20.\n\n IF ( TIMEW .GE. TAUCLD ) EXIT ! exit 20 loop\n\nC...make kinetics calculations\nC... note: DS4(i) and DSIV(I) are negative numbers!\n\n DTRMV = TAUCLD / 3.0D0\n IF ( ( CTHK1 .GT. 1.0D-10 ) .AND. ( PRCRATE .GT. 1.0D-10 ) )\n & DTRMV = 3.6D0 * WTAVG * 1000.0D0 * CTHK1 / PRCRATE ! << mol / mol air\n IF ( CGRID_MASK_AERO( I ) .AND.\n & .NOT. CGRID_MASK_NUM( I ) .AND.\n & .NOT. CGRID_MASK_SRF( I ) ) THEN\n FAC( :,:,LAY ) = CNV1 / DENS( :,:,LAY) / CGRID_MW( I )\n CGRD( :,:,LAY,I ) = FAC(:,:,LAY) * MAX( CGRID( :,:,LAY,I ),1.0E-30/FAC(:,:,LAY) )\n#ifdef sens\n DO ROW = 1,NROWS\n DO COL = 1,NCOLS\n IF ( CGRD( COL,ROW,LAY,I ) .LE. 1.0E-30 ) THEN\n SENGRID( COL,ROW,LAY,:,I ) = 0.0\n ELSE\n SENGRID( COL,ROW,LAY,:,I ) = FAC(COL,ROW,LAY) *\n & SENGRID( COL,ROW,LAY,:,I )\n ENDIF\n END DO\n END DO\n#endif\n END IF\n\n ! Aerosol Number: N m-3 -> N / mol air\n ! Aerosol Surface Area: m2 m-3 -> m2 / mol air\n IF ( CGRID_MASK_NUM( I ) .OR.\n & CGRID_MASK_SRF( I ) ) THEN\n FAC(:,:,LAY) = CNV2 / DENS(:,:,LAY)\n CGRD( :,:,LAY,I) = FAC(:,:,LAY) * MAX( CGRID( :,:,LAY, I ),1.0E-30/FAC(:,:,LAY) )\n#ifdef sens\n DO ROW = 1,NROWS\n DO COL = 1,NCOLS\n IF ( CGRD( COL,ROW,LAY,I ) .LE. 1.0E-30 ) THEN\n SENGRID( COL,ROW,LAY,:,I ) = 0.0\n ELSE\n SENGRID( COL,ROW,LAY,:,I ) = FAC(COL,ROW,LAY) * \n & SENGRID( COL,ROW,LAY,:,I )\n ENDIF\n END DO\n END DO\n#endif\n END IF\n\n END DO\n END DO\n\n#ifdef isam\nc ISAM unit conversion\n DO SPC = 1, NSPC_SA\n VAR = MAP_SAtoCGR(SPC)\n\n IF ( VAR .EQ. RHOJ_LOC ) CYCLE ! RHOJ \n\n IF ( VAR .LE. N_GC_SPC .OR. VAR .GE. NR_STRT ) THEN ! this is not an aerosol\n DO ITAG = 1, NTAG_SA\n DO LAY = 1, NLAYS\n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n ISAM( COL,ROW,LAY,SPC, ITAG ) = ISAM(COL,ROW,LAY,SPC,ITAG ) * 1.0E-6\n ISAM( COL,ROW,LAY,SPC, ITAG ) = MAX ( ISAM( COL,ROW,LAY,SPC, ITAG ), 1.0E-30 )\nc IF ( ISAM( COL,ROW,LAY,SPC, ITAG ) .LT. 1.0E-10 ) THEN\nc ISAM( COL,ROW,LAY,SPC, ITAG ) = 0.0\nc ENDIF\n END DO\n END DO\n END DO\n END DO\n ELSE ! this is an aerosol\n FAC(:,:,:) = CNV1 / DENS(:,:,:) / CGRID_MW( VAR ) \n DO ITAG = 1, NTAG_SA\n DO LAY = 1, NLAYS\n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n ISAM( COL,ROW,LAY,SPC, ITAG ) = ISAM( COL,ROW,LAY,SPC,ITAG ) * FAC(COL,ROW,LAY)\n ISAM( COL,ROW,LAY,SPC, ITAG ) = MAX ( ISAM(COL,ROW,LAY,SPC, ITAG ), 1.0E-30 )\nc IF ( ISAM( COL,ROW,LAY,SPC, ITAG ) .LT. 1.0E-10 ) THEN\nc ISAM( COL,ROW,LAY,SPC, ITAG ) = 0.0\nc ENDIF\n END DO\n END DO\n END DO\n END DO\n ENDIF\n END DO\n#endif\n\nC...compute cloud effects for the resolved clouds and resolved rainwater\n\n CALL RESCLD ( CGRD, JDATE, JTIME, TSTEP,\n & TOT_DEP, RESTRANS )\n\nC...compute cloud effects for convective (subgrid) clouds\n\n CALL CONVCLD_ACM ( CGRD, JDATE, JTIME, TSTEP,\n & CONV_DEP, SUBTRANS )\n\nC...now check to see if it's time to write the deposition file\n WSTEP = WSTEP + TIME2SEC( TSTEP( 2 ) )\n IF ( WSTEP .GE. TIME2SEC( TSTEP( 1 ) ) ) THEN\n NDATE = JDATE\n NTIME = JTIME\n CALL NEXTIME( NDATE, NTIME, TSTEP( 2 ) )\n WSTEP = 0\n\n DO VAR = 1, N_SPC_WDEP + 1\n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n TOT_DEP( COL, ROW, VAR ) = TOT_DEP ( COL, ROW, VAR )\n & + CONV_DEP( COL, ROW, VAR )\n#ifdef sens\n DO NP = 1, NPMAX\n S_TOTDEP( COL, ROW, NP, VAR ) =\n & S_TOTDEP( COL, ROW, NP, VAR )\n & + S_CONDEP( COL, ROW, NP, VAR )\n END DO\n#endif\n END DO\n END DO\n END DO\n\n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n VAR = N_SPC_WDEP + 8 + 1\n CONV_DEP( COL, ROW, VAR ) = SUBTRANS( COL, ROW, 1 )\n VAR = VAR + 1\n CONV_DEP( COL, ROW, VAR ) = SUBTRANS( COL, ROW, 2 )\n VAR = VAR + 1\n CONV_DEP( COL, ROW, VAR ) = RESTRANS( COL, ROW )\n VAR = VAR + 1\n CONV_DEP( COL, ROW, VAR ) = SUBTRANS( COL, ROW, 1 )\n & * SUBTRANS( COL, ROW, 2 )\n & * RESTRANS( COL, ROW )\n END DO\n END DO\n\n RESTRANS = 1.0\n SUBTRANS = 1.0\n\n#ifdef isam\nCkrt Sum up the wetdep from both resolved and convective clouds\nCkrt for the tagged species as well....\n DO SPC = 1, N_SPCTAG\n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n TOT_SADEP( COL,ROW,S_SPCTAG( SPC ),T_SPCTAG( SPC ) ) =\n & TOT_SADEP( COL,ROW,S_SPCTAG( SPC ),T_SPCTAG( SPC ) ) +\n & CONV_SADEP( COL,ROW,S_SPCTAG( SPC ),T_SPCTAG( SPC ) )\n END DO ! col\n END DO ! row\n END DO ! n_spctag\n#endif\n\n#ifdef mpas\n\n if ((loc_n > 0) .and. mpas_diag) then\n time_stamp = ctm_out_clock\n\n DO VAR = 1, N_SPC_WDEP\n k = index1( WDEP_SPC( VAR ), loc_n, name_list)\n if (k .gt. 0) then\n oname = 'WD_' // WDEP_SPC( VAR )\n call mio_fwrite ('CTM_OUT', oname, pname, TOT_DEP ( :,1, VAR ), TIME_STAMP)\n end if\n ENDDO\n end if\n\n#else\n\nC...write data to the normal wet deposition file\n\n IF ( .NOT. WRITE3( CTM_WET_DEP_1, ALLVAR3, NDATE,\n & NTIME, TOT_DEP ) ) THEN\n XMSG = 'Could not write ' // CTM_WET_DEP_1 // ' file'\n CALL M3EXIT ( PNAME, NDATE, NTIME, XMSG, XSTAT1 )\n END IF\n#endif\n\n WRITE( LOGDEV, '( /5X, 3( A, :, 1X ), I8, \":\", I6.6 )' )\n & 'Timestep written to', CTM_WET_DEP_1,\n & 'for date and time', NDATE, NTIME\n\n#ifdef sens\nC...write data to the sensitivity wet deposition file\nc gas species\n DO NP = 1, NPMAX\n DO SPC = 1, ( N_SPC_WDEP + 1 ) \n SENNUM = ( SPC - 1 ) * NPMAX + NP\n S_DEPWRT(:,:,SENNUM) = S_TOTDEP( :,:,NP,SPC )\n END DO\n END DO\n\n IF ( .NOT. WRITE3( CTM_SWETDEP_1, ALLVAR3, NDATE,\n & NTIME, S_DEPWRT ) ) THEN\n XMSG = 'Could not write ' // CTM_SWETDEP_1 // ' file'\n CALL M3EXIT ( PNAME, NDATE, NTIME, XMSG, XSTAT1 )\n END IF\n\n WRITE( LOGDEV, '( /5X, 3( A, :, 1X ), I8, \":\", I6.6)' )\n & 'Timestep written to', CTM_SWETDEP_1,\n & 'for date and time', NDATE, NTIME\n\n#endif\n\n\nC...write data to the diagnostic file if requested by the user\n\n IF ( CLD_DIAG ) THEN\n#ifdef mpas\n if ((loc_n > 0) .and. mpas_diag) then\n call mio_setfile (CTM_WET_DEP_2)\n\n do spc = 1, mio_file_data(mio_cfile)%nvars\n VNAME = mio_file_data(mio_cfile)%var_name(spc)\n call mio_fwrite (CTM_WET_DEP_2, VNAME, pname, real(CONV_DEP(:,1,spc), 4), TIME_STAMP)\n end do\n end if\n#else\n\n IF ( .NOT. WRITE3( CTM_WET_DEP_2, ALLVAR3, NDATE,\n & NTIME, CONV_DEP ) ) THEN\n XMSG = 'Could not write ' // CTM_WET_DEP_2 // ' file'\n CALL M3EXIT ( PNAME, NDATE, NTIME, XMSG, XSTAT1 )\n END IF\n#endif\n\n WRITE( LOGDEV, '( /5X, 3( A, :, 1X ), I8, \":\", I6.6 )' )\n & 'Timestep written to', CTM_WET_DEP_2,\n & 'for date and time', NDATE, NTIME\n\n END IF ! CLD_DIAG\n\nC...reinitialize deposition array\n\n TOT_DEP = 0.0\n CONV_DEP = 0.0\n\n#ifdef sens\n S_TOTDEP = 0.0\n S_CONDEP = 0.0\n#endif\n\n#ifdef isam\n BUFF2 = 0.0\n DO SPC = 1, N_SPCTAG\n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n BUFF2( COL,ROW ) = TOT_SADEP( COL,ROW,S_SPCTAG( SPC ),T_SPCTAG( SPC ) )\n END DO ! col\n END DO ! row\n IF ( .NOT. WRITE3( SA_WD_1, VNAM_SPCTAG( SPC ),\n & NDATE, NTIME, BUFF2 ) ) THEN\n XMSG = 'Could not write ' // SA_WD_1 // ' file'\n CALL M3EXIT ( PNAME, NDATE, NTIME, XMSG, XSTAT1 )\n END IF\n END DO ! n_spctag\n\n TOT_SADEP = 0.0\n CONV_SADEP = 0.0\n#endif\n\n END IF ! time to write\n\nC...convert units on cgrid back to original units\nC... convert to ppmV gas\n\n DO LAY = 1, NLAYS\n DO I = 1,N_CGRID_SPC\n ! Gas - Convert to PPMV\n IF ( CGRID_MASK_GAS( I ) .OR.\n & CGRID_MASK_NR( I ) .OR.\n & CGRID_MASK_TRAC( I ) ) THEN\n CGRID( :, :, LAY, I ) = CGRD( :, :, LAY, I ) * 1.0E+6\n#ifdef sens\n DO NP = 1, NPMAX\n SENGRID( :,:,LAY,NP,I ) = SENGRID( :,:,LAY,NP,I ) * 1.0E+6\n END DO\n#endif\n END IF\n\n ! Aerosol Mass: mol / mol air -> ug m-3 \n IF ( CGRID_MASK_AERO( I ) .AND.\n & .NOT. CGRID_MASK_NUM( I ) .AND.\n & .NOT. CGRID_MASK_SRF( I ) ) THEN\n FAC(:,:,LAY) = CNV1I * DENS( :,:,LAY )\n CGRID( :,:,LAY,I ) = FAC(:,:,LAY) * CGRD( :,:,LAY,I ) * CGRID_MW(I)\n#ifdef sens\n DO NP = 1, NPMAX\n SENGRID( :,:,LAY,NP,I ) = FAC(:,:,LAY) * SENGRID( :,:,LAY,NP,I ) * CGRID_MW(I)\n END DO\n#endif\n END IF\n\n ! Aerosol Number: N / mol air -> N m-3\n ! Aerosol Surface Area: m2 / mol air -> m2 m-3\n IF ( CGRID_MASK_NUM( I ) .OR.\n & CGRID_MASK_SRF( I ) ) THEN\n FAC(:,:,LAY) = CNV2I * DENS( :,:,LAY )\n CGRID( :,:,LAY,I ) = FAC(:,:,LAY) * CGRD( :,:,LAY,I )\n#ifdef sens\n DO NP = 1, NPMAX\n SENGRID( :,:,LAY,NP,I ) = FAC(:,:,LAY) * SENGRID( :,:,LAY,NP,I )\n END DO\n#endif\n END IF\n\n END DO\n END DO\n\n#ifdef isam\nc ISAM unit conversion\n DO SPC = 1, NSPC_SA\n VAR = MAP_SAtoCGR(SPC)\n\n IF ( VAR .EQ. RHOJ_LOC ) CYCLE ! RHOJ \n\n IF ( .NOT. CGRID_MASK_AERO( VAR ) ) THEN ! this is not an aerosol\n DO ITAG = 1, NTAG_SA\n DO LAY = 1, NLAYS\n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n ISAM( COL,ROW,LAY,SPC, ITAG ) = ISAM( COL,ROW,LAY,SPC,ITAG ) * 1.0E+6\n IF ( ISAM( COL,ROW,LAY,SPC, ITAG ) .LT. 1.0E-18 ) THEN\n ISAM( COL,ROW,LAY,SPC, ITAG ) = 0.0\n END IF\n END DO\n END DO\n END DO\n END DO\n ELSE ! this is an aerosol\n DO ITAG = 1, NTAG_SA\n FAC(:,:,:) = CNV1I * DENS( :,:,: ) * CGRID_MW( VAR )\n DO LAY = 1, NLAYS\n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n ISAM( COL,ROW,LAY,SPC,ITAG ) = ISAM( COL,ROW,LAY,SPC,ITAG ) * \n & FAC( COL,ROW,LAY )\n IF ( ISAM( COL,ROW,LAY,SPC, ITAG ) .LT. 1.0E-18 ) THEN\n ISAM( COL,ROW,LAY,SPC, ITAG ) = 0.0\n END IF\n END DO\n END DO\n END DO\n END DO\n ENDIF\n END DO\n#endif\n\n RETURN\n\n END\n" }, { "path": "CCTM/src/cloud/acm_ae6/convcld_acm.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n!:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE CONVCLD_ACM ( CGRD, JDATE, JTIME, TSTEP,\n & CONV_DEP, SUBTRANS )\n\nC-----------------------------------------------------------------------\nC\nC FUNCTION: Convective cloud processor Models-3 science process:\nC MAIN ROUTINE calculates cloud characteristics, and uses them\nC to generate cumulative and net timestep deposition, cloud top,\nC cloud bottom, and pressure at the lifting level.\nC\nC ICLDTYPE = 1 => computes raining cloud physics, mixing, chemistry,\nC wet dep\nC ICLDTYPE = 2 => does the same for non-precip clouds utilizing saved\nC info from RNCLD in the case of co-existing clouds\nC\nC PRECONDITIONS REQUIRED:\nC Dates and times represented YYYYDDD:HHMMSS.\nC\nC IDEA: Aqueous chemistry operates on the half-hour for an internal\nC time step of one hour.\nC\nC REVISION HISTORY:\nC Adapted 3/93 by CJC from science module template\nC Version 3/3/93 with complete LCM aqueous chem by JNY.\nC Modified 6/3-7/93 by CJC & JNY to correct treatment of half layers\nC vs. full layers in loop 255: calculation of DTDP centered at\nC quarter-layers using PSTAR; corresponding revisions to TLCL, TSAT.\nC Uses 4th order R-K solver there.\nC Version 6/5/93 by CJC using relative rainout rates.\nC Version 7/6/93 by CJC using INTERP3()\nC Adapted from LCM aqueous chemistry, initial version, 9/93\nC by JNY and CJC\nC Completion of EM cloud mixing, JNY 12/93\nC Inclusion of EM aqueous chemistry JNY 12/93\nC UPGRADE TO FULL RADM CLOUD MODULE EMULATION, JNY 4/94\nC 8/16/94 by Dongming Hwang Configuration management template\nC Adapted 10/96 by S.Roselle for Models-3\nC 1/97 s.roselle added McHenry`s well mixed assumption code\nC 8/97 S.Roselle revised cgrid units, pressure units, rainfall\nC to hourly amounts, built indices for wet dep species,\nC scavenged species, and aqueous species, built wrapper\nC around aqueous chemistry module\nC 10/97 S.Roselle removed McHenry`s well mixed assumption code\nC and put back the below cloud concentration scaling\nC 11/97 S.Roselle moved the wet deposition output to the calling\nC routine--CLDPROC\nC 01/98 S.Roselle moved indexing code to AQINTER, also\nC moved scavenging to SCAVWDEP\nC 03/98 S.Roselle read sub-hourly rainfall data\nC 12/98 David Wong at LM:\nC -- changed division of 8000, 2, 1000 to its corresponding\nC reciprocal\nC -- added INT in the expression STEP * 0.5 when calling SEC2TIME\nC 03/99 David Wong at LM:\nC -- replaced \"/ FRAC * .001\" by \"/ ( FRAC * 1000.0 )\" to minimize\nC lost of significant digits in calculation\nC Jeff - Dec 00 - move CGRID_MAP into f90 module\nC Jeff - Sep 01 - Dyn Alloc - Use HGRD_DEFN\nC 4/02 S.Roselle changed minimum horizontal resolution for subgrid\nC clouds from 12km to 8km.\nC 1/05 J.Young: dyn alloc - establish both horizontal & vertical\nC domain specifications in one module\nC 5/05 J.Pleim Replaced cloud mixing algorithm with ACM\nC 6/05 S.Roselle added new cloud diagnostic variables\nC 7/05 J.Young: clean up and mod for CMAQ-F\nC 7/06 S.Roselle Modified for sulfate tracking model\nC 8/10 J.Young: replace chem mechanism include files with namelists\nC and accomodate Shawn Roselle`s, Sergey Napelenok`s\nC and Steve Howard`s aerosol reengineering\nC 3/11 S.Roselle: replaced I/O API include files with UTILIO_DEFN\nC 5/11/11 D.Wong: incorporated twoway model implementation\nC 7/11 G. Sarwar: calculate zenith angle to determine daytime and nightime \nC needed for sulfur oxidation via metal catalysis\nC 9/11 S.Roselle: enable CMAQ subgrid cloud model only when met. driver\nC uses a convective cloud parameterization (removed minimum\nC horizontal grid resolution restriction)\nC 02Aug12 S.Roselle: instrumented to calculate and return\nC transmissivity for convective clouds\nC 04Apr14 B.Hutzell: Added routine call to capture cloud fractions,\nC water, and ice mixing ratios\nC 11Feb15 J.Young: Updated call to czangle.F which uses the ASX_DATA_MOD shared\nC data module (Implemented by J.Bash on 07 Nov 14)\nC 09/04/15 D.Wong: - Made variable declaration method consistent in the caller\nC and calling routines\nC - Used a variable rather than an array in calculation to\nC reduce memory footprint and to increase code efficiency\nC 28May15 J.Young: cleanup\nC 12Jun15 B.Hutzell: Moved call to CLEAR_ACM_CLOUD to after FIRSTIME block to\nC insure results from previous time step are removed\nC 12Jan16 D.Wong: Fixed a bug that causes different result when code run with \nC different domain decomposition\nC 4Apr16 J.Bash Calculate the Sundqvist et al. 1989 threshold humidities \nC for cloud formation based on Mocko and Cotton (1995) to be\nC More consistent with WRF\nC 7May 18 D. Schwede: Removed call to CZANGLE. COSZEN now calculated in ASX_DATA_MOD\nC Aug 2018 J. Pleim: convert to Z coords\nC Oct 2018 D. Wong: Declared array, F as allocatable and added subroutine ACMCLD \nC in the interface block\nC 26 Nov 2018 S. Napelenok: ISAM implementation\nC Feb 2019 D. Wong: Implemented centralized I/O approach, removed all MY_N\nC clauses\nC 01 AUG 19 D.Wong: Modified code to work with two-way model and \nC 11 Nov 19 F. Sidi: Changed MSTEP to accomdate Centralized I/O changes \nC 30 Dec 19 S.L.Napelenok: ddm-3d implementaiton for version 5.3.1\nC 10 Jun 21 G. Sarwar: Replaced CB6R3M with CB6R5M\n\nC-----------------------------------------------------------------------\n\n USE RUNTIME_VARS, ONLY: STM, CONVECTIVE_SCHEME\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE CGRID_SPCS ! CGRID mechanism species\n USE UTILIO_DEFN\n USE AQ_DATA\n USE AERO_DATA, ONLY : ASO4_IDX, ASO4AQH2O2_IDX, ASO4AQO3_IDX,\n & ASO4AQFEMN_IDX, ASO4AQMHP_IDX, ASO4AQPAA_IDX,\n & ASO4GAS_IDX, ASO4EMIS_IDX, ASO4ICBC_IDX,\n & OSO4AQH2O2_IDX, OSO4AQO3_IDX, OSO4AQFEMN_IDX,\n & OSO4AQMHP_IDX, OSO4AQPAA_IDX, OSO4_IDX, \n & OSO4GAS_IDX, OSO4EMIS_IDX, OSO4ICBC_IDX,\n & AEROSPC_MAP, N_MODE, AE6ISOA, MAP_AERO\n USE PRECURSOR_DATA, ONLY: SULF_IDX, PRECURSOR_MAP, MAP_PRECURSOR\n USE RXNS_DATA, ONLY: MECHNAME ! chemical mechanism data\n USE ASX_DATA_MOD, ONLY: GRID_DATA, MET_DATA\n USE PHOT_MOD, ONLY: RJ, RJ_RES, RJ_SUB, LH2O2_PHOTOLYSIS => LH2O2,\n & LHNO3_PHOTOLYSIS => LHNO3\n USE CENTRALIZED_IO_MODULE\n#ifdef isam\n USE SA_DEFN, ONLY: ISAM, NSPC_SA, NTAG_SA, MAP_SAtoCGR, OTHRTAG,\n & ISAM_SPEC, DEPSUM_SAVE, DS4_SAVE, REMOV_SAVE,\n & ITAG, CONV_SADEP,\n & DEPSUM_AORGC_SAVE, DGLY1_SAVE, DMGLY1_SAVE,\n & REMOV_AORGC_SAVE\n#endif\n\n#ifdef sens\n USE DDM3D_DEFN, ONLY: SENGRID, NP, NPMAX, S_CONDEP, S_POLC,\n & S_CEND, S_REMOV, S_REMOVAC, S_CONDEP, \n & S_TOTDEP, S_CCR, S_CBELOW, IPT,\n & S_CONC, S_BMOL, S_CBASE0, S_CBASEF,\n & S_BCLDWT, S_INCLOUD, S_OUTCLOUD, S_PCLD,\n & S_CONDIS, DDM3D_CONCMINL\n#endif\n\n#ifdef mpas\n use util_module, only : nextime, time2sec, sec2time, secsdiff, currstep\n#endif\n\n IMPLICIT NONE\n\nC...........INCLUDES\n\n INCLUDE SUBST_CONST ! constants\n INCLUDE SUBST_FILES_ID ! file name parameters\n\nC...........Arguments\n\n REAL, INTENT( INOUT ) :: CGRD( :,:,:,: )\n INTEGER, INTENT( IN ) :: JDATE\n INTEGER, INTENT( IN ) :: JTIME\n INTEGER, INTENT( IN ) :: TSTEP( 3 )\n\n#ifdef mpas\n integer, save :: mpas_cmaq_freq\n#endif\n REAL, INTENT( INOUT ) :: CONV_DEP( :,:,: )\n REAL, INTENT( OUT ) :: SUBTRANS( :,:,: )\n\nC...........Parameters\n\n\n#ifdef mpas\nC critical rel humidity for land (fraction)\n REAL, ALLOCATABLE, SAVE :: RCRITL(:,:)\n\nC critical rel humidity for water (fraction)\n REAL, ALLOCATABLE, SAVE :: RCRITW(:,:)\n#else\nC critical rel humidity for land (fraction)\n REAL, SAVE :: RCRITL\n\nC critical rel humidity for water (fraction)\n REAL, SAVE :: RCRITW\n\n#endif\nC intermediate factor\n REAL :: XKM\n\nC factor convert 1/min to 1/sec\n REAL, PARAMETER :: MINPERSEC = 1.0 / 60.0 \n\nC param contlng sidewall entrainment function for raining clouds\n REAL, PARAMETER :: SIDEFAC = 0.5\n\nC storm rainout efficiency\n REAL, PARAMETER :: STORME = 0.3\n\nC emp sat vapor press constant from RADM\n REAL, PARAMETER :: C303 = 19.83\n\nC emp sat vapor press constant from RADM\n REAL, PARAMETER :: C302 = 5417.4\n\nC g/kg\n REAL, PARAMETER :: GPKG = 1.0E+03\n\nC 1 hectare = 1.0e4 m**2\n REAL, PARAMETER :: M2PHA = 1.0E+04\n REAL, PARAMETER :: M2PHA_OVER_GPKG = 10.0\n\nC subgrid scale temp perturb (deg K)\n REAL, PARAMETER :: PERT = 1.5\n\nC wvp mix ratio perturb (dimensionless)\n REAL, PARAMETER :: PERQ = 1.5E-3\n\nC rainfall threshold (mm/hr)\n REAL, PARAMETER :: RTHRESH = 0.1\n\nC vapor press of water at 0 C (Pa)\n REAL, PARAMETER :: VP0PA = 611.2\n\nC 1.0 / (vapor press of water @ 0 C) (1/Pa)\n REAL, PARAMETER :: VPINV = 1.0 / VP0PA\n\nC converg. crit. for entrainment solver\n REAL, PARAMETER :: TST = 0.01\n\nC assumed cloud lifetime for convective clouds (sec)\n REAL, PARAMETER :: TCLIFE = 3600.0\n\nC ratio of mol wt of water vapor to mol wt of air\n REAL, PARAMETER :: MVOMA = MWWAT / MWAIR\n\nC ratio of dry gas const to specific heat\n REAL, PARAMETER :: ROVCP = RDGAS / CPD\n\nC ratio of latent heat of vap to specific heat\n REAL, PARAMETER :: LVOCP = LV0 / CPD\n\nC dry adiabatic lapse rate (deg K/m)\n REAL, PARAMETER :: DALR = GRAV / CPD\n\nC Number of species in CGRID\n INTEGER, SAVE :: MXSPCS\n\nC parameter to control frequency of convective cloud processing\nC SYNCCLD=.TRUE. : every synchronization timestep\nC SYNCCLD=.FALSE. : every hour on the half hour\n LOGICAL, PARAMETER :: SYNCCLD = .TRUE. ! default to sync timestep\n\n INTEGER ICLDTYPE ! 1: raining, 2: either CNP or PFW\n\nC...........Local Variables\n\nC-------for ACM version - jp 2/05 REAL DPB\n REAL, ALLOCATABLE, SAVE :: DZH( : )\n REAL, ALLOCATABLE, SAVE :: CCR ( :,: )\n REAL, ALLOCATABLE, SAVE :: CONC( :,: )\n REAL, ALLOCATABLE, SAVE :: CBELOW( : )\nC-------------------------------------------\n\n LOGICAL, SAVE :: FIRSTIME = .TRUE. ! flag for first pass thru\n\n CHARACTER( 16 ) :: PNAME = 'CONVCLD_ACM' ! process name\n CHARACTER( 16 ) :: VARNM ! variable name for IOAPI to get\n\n CHARACTER( 16 ), SAVE :: RC_NAME ! RC name: old is RC and new is RCA\n\n INTEGER, ALLOCATABLE, SAVE :: SURCLDMX( : ) ! cloud mixing surrogate for stm\n\n INTEGER ATIME ! time diff from half-hour\n INTEGER CLTOP ! model LAY containing cloud top\n INTEGER COL ! column loop counter\n INTEGER ROW ! row loop counter\n INTEGER CTOP ! dummy variable for cloud top layer\n INTEGER FINI ! ending position\n INTEGER I599C ! entrainment solver iteration counter\n INTEGER LAY ! layer loop counter\n INTEGER M ! mode index\n INTEGER MDATE ! process date\n INTEGER MTIME ! process time (half-hour)\n INTEGER, SAVE :: MSTEP ! met file time step (hhmmss)\n INTEGER, SAVE :: SDATE ! met file start date\n INTEGER SPC ! liquid species loop counter\n INTEGER STEP ! step loop counter\n INTEGER STRT ! starting position\n INTEGER, SAVE :: STIME ! met file start time\n INTEGER VAR ! variable loop counter\n INTEGER I ! variable loop counter\n\n INTEGER CLBASE ! cld base layer\n INTEGER CLTOPUSTBL ! unstable cld top layer\n INTEGER ISOUND ! flag for sounding stability\n INTEGER SRCLAY ! cloud source level vert index\n\n REAL AIRM ! total air mass (mol/m2) in cloudy air\n REAL AIRMB0 ! mol/m2 air below cloud\n REAL AIRMBI ! inverse mol/m2 air below cloud\n REAL ALFA0 ! aitken mode number scavenging coef\n REAL ALFA2 ! aitken mode sfc area scavenging coef\n REAL ALFA3 ! aitken mode mass scavenging coef\n REAL ARPRES ! ave cloud pres in atm\n REAL CONDIS !\n REAL CTHK ! cloud thickness (m)\n REAL CTHK1 ! aq chem calc cloud thickness\n REAL DAMDP ! dry adiabatic minus dew point lapse rate\n REAL DP ! pressure increment along moist adiabat\n REAL DPLR ! dew point lapse rate\n REAL DQI ! change in ice mix ratio due to melting caused by entrainment\n REAL DQL ! change in liq wat mix ratio due to evap caused by entrainment\n REAL DTCLD ! cloud integration timestep (s)\n REAL DTDP ! moist adiabatic lapse rate\n REAL DZLCL ! height increment to LCL above source level\n REAL ZLCL ! height of LCL above ground\n REAL EMAX ! water vapor pressure at source level\n REAL EQTH ! parcel equivalent potential temperature\n REAL EQTHM ! parcel equivalent potential temp\n REAL FA ! entrainment functional value at TEMPA\n REAL FB ! entrainment functional value at TEMPB\n REAL FRAC ! cloud fractional coverage\n REAL FTST ! functional product in Walcek bisection solver\n REAL HTST ! temp diff in Walcek bisection solver\n REAL JH2O2_BAR ! mean H2O2 photolysis rate in subgrid cloud, 1/min\n REAL JHNO3_BAR ! mean HNO3 photolysis rate in subgrid cloud, 1/min\n REAL, SAVE :: METSTEP ! timestep on the met file\n REAL P1 ! intermediate pressure used in calculating WL\n REAL P2 ! intermediate pressure used in calculating WL\n REAL P3 ! intermediate pressure used in calculating WL\n REAL PBAR ! mean pressure in vertical increments up from LCL along moist adiabat\n REAL PBARC ! mean cloud pressure (Pa)\n REAL PMAX ! parcel pressure\n REAL PP ! scratch pressure variable\n REAL PRATE ! total rainfall (mm/hr)\n REAL PRATE1 ! storm rainfall rate (mm/hr)\n REAL QENT ! wat vap mix ratio due to cld sidewall entrainmt\n REAL QP ! perturbed water vap mix ratio of parcel\n REAL QXS ! int. excess wat ov grid cell needed for rainout\n REAL REMOVAC ! variable storing H+ deposition\n REAL RHOAIR ! air density in kg/m3\n REAL RLH ! relative humidity\n REAL RLHSRC ! relative humidity at cld src level\n REAL RTCH ! chemical gas const times temp\n REAL T1 ! perturbed temp to calc neutral buoyancy also used as max temp in cell comparing cloud with environment\n REAL TBAR ! mean temp in vertical increments up from LCL along moist adiabat\n REAL TBARC ! mean cloud temp (K)\n REAL TBASE ! iterative temp along moist adiabat\n REAL TDMAX ! dew point at source level\n REAL TEMPA ! lower limit on temp for entrainment solver\n REAL TEMPB ! upper limit on temp for entrainment solver\n REAL TEMPC ! scratch temp solved for cloudy air parcel\n REAL TENT ! temp accounting for cld sidewall entrainment\n REAL THMAX ! parcel potential temperature\n REAL TI ! init temp of cloud air before evap of water\n REAL TLCL ! temp at LCL\n REAL TMAX ! perturbed temp of parcel\n REAL TP ! perturbed temp of parcel\n REAL TTOP ! scr vbl used in application of Eq. 7, W&T\n REAL TWC ! tot wat cont in cloud (kg H2O/m3 air)\n REAL WCBAR ! liq water content of cloud (kg/m3)\n REAL WL ! Warner profile (an earlier version appears appears in Walcek and Taylor (JAS, 1986)\n REAL WTBAR ! total wat cont (kg/m2) int. thru cloud depth\n REAL X1 ! intermediate vbles in lapse rate calculation X1 also reused as scratch vble in mixing\n REAL QDIF ! scratch vbl used in entrainment solver\n REAL CLOD\n REAL LWP\n REAL STRNS ! intermediate to set subgrid cld transmissivity\n REAL, ALLOCATABLE, SAVE :: AECONCMIN( : ) ! array of minimum concentrations\n REAL, ALLOCATABLE, SAVE :: BMOL ( : ) ! mol/m2 species below cloud\n REAL, ALLOCATABLE, SAVE :: CBASE0 ( : ) ! initial ave trace gas mix rat below cld\n REAL, ALLOCATABLE, SAVE :: CBASEF ( : ) ! final ave trac gas mix rat blw cld (mol/mol)\n REAL, ALLOCATABLE, SAVE :: CEND ( : ) ! ending equiv gas phase conc (mol/mol)\n REAL, ALLOCATABLE, SAVE :: POLC ( : ) ! ave vert conc incloud mol sp/m2 and mol sp/ mol air\n REAL, ALLOCATABLE, SAVE :: REMOV ( : ) ! mol/m2 or mm*mol/lit scavenged\n REAL :: DENSL( NLAYS ) ! air density (kg/m3)\n REAL, ALLOCATABLE, SAVE :: F ( : ) ! cloud entrainment fraction to be solved for\n REAL :: FSIDE( NLAYS ) ! sidewall entrainment vertical profile\n REAL :: LWC ( NLAYS ) ! liq wat cont of cloud in kg H2O/m3 air\n REAL, ALLOCATABLE, SAVE :: QICE ( : ) ! ice mixing ratio in cloud\n REAL, ALLOCATABLE, SAVE :: QLQD ( : ) ! actual liq. wat. mix ratio in cloud\n REAL :: QVC ( NLAYS ) ! saturation wat vap mix ratio at T1\n REAL :: QWAT ( NLAYS ) ! liq wat mix rat, taken as total condensed water (ice + liq) profile (Eq.4, W&T)\n REAL :: RHOM2( NLAYS ) ! mol/m2 air\n REAL :: TCLD ( NLAYS ) ! temp of cloudy air parcel\n\n REAL FRACMAX ! max frac cov for NP cld\n REAL PLCL ! pressure at LCL\n REAL QMAX ! pertbd w.. mix rat of parcel\n REAL :: RAIN( NCOLS,NROWS ) ! this timestep rainfall (mm/hr)\n REAL BCLDWT ! below cloud weighting function\n REAL, ALLOCATABLE, SAVE :: CONCMINL( :,: ) ! minimum concentrations for each species and layer\n REAL INCLOUD ! final conc in cloud after mix and chem [mol/mol]\n REAL OUTCLOUD ! final conc outside \" \" \" \" \"\n REAL, ALLOCATABLE, SAVE :: PCLD ( :,: ) ! mol sp/mol air in cloud\n\n REAL :: RC ( NCOLS,NROWS ) ! hourly convective rainfall (cm)\n REAL :: PBL ( NCOLS,NROWS ) ! PBL height (m)\n REAL :: DZZ ( NCOLS,NROWS,NLAYS ) ! computed gridded vble\n REAL :: DZZL ( NLAYS ) ! grid cell delta Z\n REAL :: PRES ( NCOLS,NROWS,NLAYS ) ! file gridded vble\n REAL :: PRESL( NLAYS ) ! grid cell pressure\n REAL :: JH2O2( NLAYS ) ! H2O2 photolysis rate (1/min) \n REAL :: JHNO3( NLAYS ) ! HNO3 photolysis rate (1/min) \n REAL :: QAD ( NLAYS ) ! moist adiab. sat. mix ratio\n REAL :: QV ( NCOLS,NROWS,NLAYS ) ! input gridded vble\n REAL :: QVL ( NLAYS ) ! grid cell sp. hum.\n REAL :: TA ( NCOLS,NROWS,NLAYS ) ! input gridded vble\n REAL :: TAL ( NLAYS ) ! grid cell temp\n REAL :: TSAT ( NLAYS ) ! parcel temp along moist adiabat @ half levels\n REAL :: ZH ( NCOLS,NROWS,NLAYS ) ! mid-layer height (m)\n REAL :: ZF ( NCOLS,NROWS,NLAYS ) ! level/layer-face height (m)\n\n INTEGER ALLOCSTAT\n\nC Gridded meteorology data: Golam Sarwar, July 1, 2011 \nC Latitude and longitude for zenith angle calculation: \n REAL COSZ ! local cosine of zenith angle\n\n CHARACTER( 120 ) :: XMSG = ' ' ! Exit status message\n\n\nC...........Statement Functions\n\n REAL ESAT ! sat vap pres (Pa) as fn of T (deg K)\n REAL QSAT ! sat water vapor mixing ratio\n\n REAL T ! temperature dummy arg\n REAL E ! sat vapor pressure dummy arg\n REAL P ! pressure dummy arg\n\n#ifdef isam\n REAL, ALLOCATABLE, SAVE :: SA_BASE0 ( :,: )\n REAL, ALLOCATABLE, SAVE :: SA_POLC ( :,: )\n REAL, ALLOCATABLE, SAVE :: SA_CEND ( :,: )\n REAL, ALLOCATABLE, SAVE :: SA_PCLD ( :,:,: )\n REAL, ALLOCATABLE, SAVE :: SA_BASEF ( :,: )\n REAL, ALLOCATABLE, SAVE :: SA_CCR ( :,:,: )\n REAL, ALLOCATABLE, SAVE :: SA_CBELOW ( :,: )\n REAL, ALLOCATABLE, SAVE :: SA_REMOV ( :,: )\n REAL, ALLOCATABLE, SAVE :: SA_BMOL ( :,: )\n REAL, ALLOCATABLE, SAVE :: SA_CONC ( :,:,: )\n REAL, ALLOCATABLE, SAVE :: SA_DS4 ( : )\n REAL, ALLOCATABLE, SAVE :: SA_INCLOUD( : )\n\n INTEGER, SAVE :: S_SO2, S_SO4J, S_SULF, S_N2O5\n INTEGER, SAVE :: C_SO2, C_SO4J, C_SULF\n INTEGER, SAVE :: S_GLY, S_MGLY, S_AORGCJ\n INTEGER, SAVE :: C_GLY, C_MGLY, C_AORGCJ\n REAL, ALLOCATABLE, SAVE :: SA_DCSOA_GLY ( : )\n REAL, ALLOCATABLE, SAVE :: SA_DCSOA_MGLY ( : )\n INTEGER CSPC\n\n REAL BLNC\n REAL :: SA_SUM\n#endif\n\n\n INTERFACE\n SUBROUTINE ACMCLD ( NSP, NLAYS, F, C, DZH, CBELOW, CLBASE, CLTOP,\n & FRAC, TCLIFE, DTCLD )\n INTEGER, INTENT( IN ) :: NSP\n INTEGER, INTENT( IN ) :: NLAYS\n REAL, INTENT( IN ) :: F( : )\n REAL, INTENT( INOUT ) :: C( :, : )\n REAL, INTENT( IN ) :: DZH( : )\n REAL, INTENT( INOUT ) :: CBELOW( : )\n INTEGER, INTENT( IN ) :: CLBASE\n INTEGER, INTENT( IN ) :: CLTOP\n REAL, INTENT( IN ) :: FRAC\n REAL, INTENT( IN ) :: TCLIFE\n REAL, INTENT( IN ) :: DTCLD\n END SUBROUTINE ACMCLD\n\n SUBROUTINE SCAVWDEP ( JDATE, JTIME, WTBAR, WCBAR, TBARC, PBARC,\n & CTHK1, AIRM, PRATE1, TAUCLD, POLC, CEND,\n & REMOV, REMOVAC, ALFA0, ALFA2, ALFA3 )\n INTEGER, INTENT( IN ) :: JDATE, JTIME\n REAL, INTENT( IN ) :: WTBAR, WCBAR, TBARC, PBARC,\n & CTHK1, AIRM, PRATE1, TAUCLD\n REAL, INTENT( IN ) :: POLC ( : )\n REAL, INTENT( OUT ) :: CEND( : ), REMOV( : )\n REAL, INTENT( OUT ) :: REMOVAC\n REAL, INTENT( OUT ) :: ALFA0, ALFA2, ALFA3\n END SUBROUTINE SCAVWDEP\n\n SUBROUTINE AQ_MAP( JDATE, JTIME, WTBAR, WCBAR, TBARC, PBARC,\n & CTHK1, AIRM, PRATE1, TAUCLD, POLC, CEND,\n & REMOV, REMOVAC, ALFA0, ALFA2, ALFA3, COSZ )\n INTEGER, INTENT( IN ) :: JDATE, JTIME\n REAL, INTENT( IN ) :: WTBAR, WCBAR, TBARC, PBARC,\n & CTHK1, AIRM, PRATE1, TAUCLD\n REAL, INTENT( IN ) :: POLC ( : )\n REAL, INTENT( INOUT ) :: CEND( : ), REMOV( : )\n REAL, INTENT( INOUT ) :: REMOVAC\n REAL, INTENT( IN ) :: ALFA0, ALFA2, ALFA3, COSZ\n END SUBROUTINE AQ_MAP\n END INTERFACE\n\n ESAT( T ) = VP0PA * EXP( C303 - ( C302 / T ) )\n\n QSAT( E, P ) = MVOMA * ( E / ( P - E ) )\n\nC-----------------------------------------------------------------------\nC begin body of subroutine CONVCLD_ACM\n\nC...INITIALIZATION for the CONVCLD_ACM module:\nC... event-statistics variables.\n\n IF ( FIRSTIME ) THEN\n\n FIRSTIME = .FALSE.\n\nC...Sulfur tracking\n IF ( STM ) THEN\n CALL MAP_AERO()\n CALL MAP_PRECURSOR()\n END IF\n\n IF ( N_AE_SPC .GT. 0 ) THEN\n ALLOCATE ( AECONCMIN( N_AE_SPC ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating AECONCMIN'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n CALL SET_AECONCMIN ( AECONCMIN )\n\n END IF\n\nC cccccccccccccccccccc enable backward compatiblity ccccccccccccccccccccc\n\n IF (RCA_AVAIL) THEN\n RC_NAME = 'RCA'\n ELSE\n RC_NAME = 'RC'\n END IF\n\nC...store met file time, date, and step information and compute\nC... the met timestep in hours\n\n SDATE = cio_model_sdate\n STIME = cio_model_stime\n MSTEP = file_tstep(f_met) \n\n#ifdef mpas\n call get_env (mpas_cmaq_freq, 'mpas_cmaq_freq', 1)\n METSTEP = (FLOAT( TIME2SEC( MSTEP ) )/FLOAT(mpas_cmaq_freq)) / 3600.0\n !metstep is coupling frequency but rain is per mpas time step\n#else\n\n METSTEP = FLOAT( TIME2SEC( MSTEP ) ) / 3600.0\n#endif\n\nC...check convective precipitation on met files to determine if WRF used\nC... a convective parameterization\nC...in coordination with MCIPv4.0, negative values will be loaded into the RC\nC... field if a convective parameterization was not used in the WRF simulation\n\n call interpolate_var (RC_NAME, sdate, stime, RC)\n\n IF ( .NOT. CONVECTIVE_SCHEME) RETURN\n\nC...allocate saved arrays\n\n ALLOCATE ( F( NLAYS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating F'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n ALLOCATE ( DZH( NLAYS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating DZH'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n MXSPCS = NSPCSD\n\n ALLOCATE ( CCR ( MXSPCS,NLAYS ),\n & CONC ( MXSPCS,NLAYS ),\n & CBELOW( MXSPCS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating CCR, CONC or CBELOW'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n ALLOCATE ( BMOL ( MXSPCS ),\n & CBASE0 ( MXSPCS ),\n & CBASEF ( MXSPCS ),\n & CEND ( MXSPCS ),\n & POLC ( MXSPCS ),\n & REMOV ( MXSPCS ), \n & QLQD ( NLAYS ), \n & QICE ( NLAYS ), \n & STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating BMOL, CBASE0, CBASEF, CEND, POLC, REMOV,'\n & // ' QLQD or QICE'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n ALLOCATE ( CONCMINL( MXSPCS,NLAYS ),\n & PCLD ( MXSPCS,NLAYS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating CONCMINL or PCLD'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\nC...Calculate the Sundqvist et al. 1989 threshold humidities for cloud formation based on \nC...Mocko and Cotton (1995)\n#ifdef mpas\n ALLOCATE ( RCRITL( NCOLS,NROWS ),\n & RCRITW( NCOLS,NROWS ),\n & STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'EXIT: Failure allocating RCRITL, RCRITW'\n call prog_interrupt (PNAME, JDATE, JTIME, XMSG, 1)\n END IF\n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n XKM = (cell_area(COL,ROW)**0.5)/1000\n RCRITW(COL,ROW) = 0.879 + SQRT( 1.0 / ( 100.0 + XKM * XKM ))\n RCRITL(COL,ROW) = 0.839 + SQRT( 1.0 / ( 50.0 + 0.5 * XKM ** 3 ) )\n END DO\n END DO\n#else\n XKM = REAL( XCELL_GD / 1000 )\n RCRITW = 0.879 + SQRT( 1.0 / ( 100.0 + XKM * XKM ) )\n RCRITL = 0.839 + SQRT( 1.0 / ( 50.0 + 0.5 * XKM ** 3 ) )\n#endif\n\nC...Sulfur tracking\n IF ( STM ) THEN\n\nC...initialize surrogate array\n ALLOCATE ( SURCLDMX( MXSPCS ), STAT = ALLOCSTAT )\n DO SPC = 1, NSPCSD\n SURCLDMX( SPC ) = SPC\n END DO\n\nC...set cloud mixing surrogates for the sulfate tracking species\n\n DO M = 1, N_MODE\n\n SURCLDMX( AEROSPC_MAP( ASO4GAS_IDX, M ) ) = AEROSPC_MAP( ASO4_IDX,M )\n SURCLDMX( AEROSPC_MAP( ASO4EMIS_IDX,M ) ) = AEROSPC_MAP( ASO4_IDX,M )\n SURCLDMX( AEROSPC_MAP( ASO4ICBC_IDX,M ) ) = AEROSPC_MAP( ASO4_IDX,M )\n\nC... for the accumulation mode, add aqueous tracked species\n\n IF ( M .EQ. 2 ) THEN\n\n SURCLDMX( AEROSPC_MAP( ASO4AQH2O2_IDX,M ) ) = AEROSPC_MAP( ASO4_IDX,M )\n SURCLDMX( AEROSPC_MAP( ASO4AQO3_IDX, M ) ) = AEROSPC_MAP( ASO4_IDX,M )\n SURCLDMX( AEROSPC_MAP( ASO4AQFEMN_IDX,M ) ) = AEROSPC_MAP( ASO4_IDX,M )\n SURCLDMX( AEROSPC_MAP( ASO4AQMHP_IDX, M ) ) = AEROSPC_MAP( ASO4_IDX,M )\n SURCLDMX( AEROSPC_MAP( ASO4AQPAA_IDX, M ) ) = AEROSPC_MAP( ASO4_IDX,M )\n\n END IF\n\n IF ( ( AE6ISOA ) .OR.\n & ( INDEX( MECHNAME, 'CRACMM' ) .GT. 0 ) .OR. \n & ( INDEX( MECHNAME, 'CB6R3_AE7' ) .GT. 0 ) .OR.\n & ( INDEX( MECHNAME, 'CB6R5_AE7' ) .GT. 0 ) .OR.\n & ( INDEX( MECHNAME, 'CB6R5M_AE7' ) .GT. 0 ) ) THEN\n \nC... for the accumulation mode, add aqueous tracked species\n\n IF ( M .EQ. 2 ) THEN\n\n SURCLDMX( AEROSPC_MAP( OSO4GAS_IDX, M ) ) = AEROSPC_MAP( OSO4_IDX,M )\n SURCLDMX( AEROSPC_MAP( OSO4EMIS_IDX, M ) ) = AEROSPC_MAP( OSO4_IDX,M )\n SURCLDMX( AEROSPC_MAP( OSO4ICBC_IDX, M ) ) = AEROSPC_MAP( OSO4_IDX,M )\n SURCLDMX( AEROSPC_MAP( OSO4AQH2O2_IDX,M ) ) = AEROSPC_MAP( OSO4_IDX,M )\n SURCLDMX( AEROSPC_MAP( OSO4AQO3_IDX, M ) ) = AEROSPC_MAP( OSO4_IDX,M )\n SURCLDMX( AEROSPC_MAP( OSO4AQFEMN_IDX,M ) ) = AEROSPC_MAP( OSO4_IDX,M )\n SURCLDMX( AEROSPC_MAP( OSO4AQMHP_IDX, M ) ) = AEROSPC_MAP( OSO4_IDX,M )\n SURCLDMX( AEROSPC_MAP( OSO4AQPAA_IDX, M ) ) = AEROSPC_MAP( OSO4_IDX,M )\n\n END IF\n\n END IF\n\n END DO\n\n SPC = 0\n STRT = AE_STRT\n FINI = AE_STRT - 1 + N_AE_SPC\n DO VAR = STRT, FINI\n SPC = SPC + 1\n WRITE( XMSG, '(i6,1x,A16,1x,i6,1x,a16)') VAR, AE_SPC( SPC ), SURCLDMX( VAR ), AE_SPC( SURCLDMX( VAR )-AE_STRT+1 )\n CALL M3MESG ( XMSG )\n END DO\n\n END IF ! stm\n\n#ifdef isam\nC Move this to a better place later\n S_SO2 = INDEX1( 'SO2', NSPC_SA, ISAM_SPEC(:,OTHRTAG) )\n S_SO4J = INDEX1( 'ASO4J', NSPC_SA, ISAM_SPEC(:,OTHRTAG) )\n S_SULF = INDEX1( 'SULF', NSPC_SA, ISAM_SPEC(:,OTHRTAG) )\n S_N2O5 = INDEX1( 'N2O5', NSPC_SA, ISAM_SPEC(:,OTHRTAG) )\n\n C_SO2 = INDEX1( 'SO2', N_GC_SPC, GC_SPC )\n C_SO4J = INDEX1( 'ASO4J', N_AE_SPC, AE_SPC ) + 1 + N_GC_SPC\n C_SULF = INDEX1( 'SULF', N_GC_SPC, GC_SPC )\n\n ALLOCATE ( SA_BASE0 ( NSPC_SA, NTAG_SA ),\n & SA_BASEF ( NSPC_SA, NTAG_SA ),\n & SA_POLC ( NSPC_SA, NTAG_SA ),\n & SA_CEND ( NSPC_SA, NTAG_SA ),\n & SA_PCLD ( NSPC_SA, NLAYS, NTAG_SA ),\n & SA_CCR ( NSPC_SA, NLAYS, NTAG_SA ),\n & SA_CBELOW ( NSPC_SA, NTAG_SA ),\n & SA_REMOV ( NSPC_SA, NTAG_SA ),\n & SA_BMOL ( NSPC_SA, NTAG_SA ),\n & SA_CONC ( NSPC_SA, NLAYS, NTAG_SA ),\n & SA_DS4 ( NTAG_SA ),\n & SA_INCLOUD( NTAG_SA ),\n & STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating SA arrays'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n S_GLY = INDEX1( 'GLY', NSPC_SA, ISAM_SPEC(:,OTHRTAG) )\n S_MGLY = INDEX1( 'MGLY', NSPC_SA, ISAM_SPEC(:,OTHRTAG) )\n S_AORGCJ = INDEX1( 'AORGCJ', NSPC_SA, ISAM_SPEC(:,OTHRTAG) )\n\n C_GLY = INDEX1( 'GLY', N_GC_SPC, GC_SPC )\n C_MGLY = INDEX1( 'MGLY', N_GC_SPC, GC_SPC )\n C_AORGCJ = INDEX1( 'AORGCJ', N_AE_SPC, AE_SPC ) + 1 + N_GC_SPC\n ALLOCATE ( SA_DCSOA_GLY ( NTAG_SA ),\n & SA_DCSOA_MGLY ( NTAG_SA ),\n & STAT = ALLOCSTAT )\n#endif\n\n#ifdef sens\n IF ( .NOT. ALLOCATED( S_CEND ) ) ALLOCATE ( S_CEND ( NPMAX, MXSPCS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating S_CEND'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n IF ( .NOT. ALLOCATED( S_POLC ) ) ALLOCATE ( S_POLC ( NPMAX, MXSPCS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating S_POLC'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n IF ( .NOT. ALLOCATED( S_REMOV ) ) ALLOCATE ( S_REMOV ( NPMAX, MXSPCS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating S_REMOV'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n IF ( .NOT. ALLOCATED( S_REMOVAC ) ) ALLOCATE ( S_REMOVAC ( NPMAX ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating S_REMOVAC'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n S_REMOVAC = 0.0\n\n IF ( .NOT. ALLOCATED( S_CCR ) ) ALLOCATE ( S_CCR ( NPMAX,MXSPCS,NLAYS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating S_CCR'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n S_CCR = 0.0D0\n\n IF ( .NOT. ALLOCATED( S_CBELOW ) ) ALLOCATE ( S_CBELOW ( NPMAX,MXSPCS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating S_REMOVAC'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n S_CBELOW = 0.0D0\n\n ALLOCATE ( S_CONC ( NPMAX,MXSPCS,NLAYS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating S_CONC'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n ALLOCATE ( S_BMOL ( NPMAX,MXSPCS ),\n & S_CBASE0 ( NPMAX,MXSPCS ),\n & S_CBASEF ( NPMAX,MXSPCS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating S_BMOL, S_CBASE0, or S_CBASEF'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n ALLOCATE ( S_BCLDWT ( NPMAX,MXSPCS,NLAYS ),\n & S_INCLOUD ( NPMAX,MXSPCS,NLAYS ),\n & S_OUTCLOUD( NPMAX,MXSPCS,NLAYS ),\n & S_PCLD ( NPMAX,MXSPCS,NLAYS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating S_BCLDWT, S_INCLOUD, S_OUTCLOUD or S_PCLD'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n#endif\n\n END IF ! Firstime\n\n IF ( .NOT. CONVECTIVE_SCHEME) RETURN\n\nC...check option for processing clouds on the synchronization timestep\n\n IF ( SYNCCLD ) THEN\n\n MDATE = JDATE\n MTIME = JTIME\n\nC...set the cloud timestep (=adv timestep)\n\n STEP = TIME2SEC( TSTEP( 2 ) ) ! synchronization timestep\n DTCLD = REAL( STEP )\n\nC...set time to the midpoint of this timestep for data interpolation\n\n CALL NEXTIME ( MDATE, MTIME, SEC2TIME( STEP / 2 ) )\n\nC...otherwise, revert back to processing convective cloud once per hour\nC... on the half hour\n\n ELSE\n\nC...Check to see if this time step contains the half-hour\nC... if it does not, then return\n\n MDATE = JDATE\n MTIME = 10000 * ( JTIME / 10000 ) ! on the current hour\n STEP = TIME2SEC( TSTEP( 2 ) ) ! synchronization timestep\n DTCLD = TCLIFE\n\nC... set mdate:mtime to one-half step before the half-hour\n\n CALL NEXTIME ( MDATE, MTIME, SEC2TIME( 1800 - ( STEP / 2 ) ) )\n\n ATIME = SECSDIFF( MDATE, MTIME, JDATE, JTIME )\n\n IF ( ( ATIME .LT. 0 ) .OR. ( ATIME .GE. STEP ) ) RETURN\n\nC...the current timestep overlaps the half hour point\nC... set the time to the half hour for data interpolation\n\n MTIME = 10000 * ( JTIME / 10000 ) + 3000\n \n END IF\n\nC...clear arrays that capture ACM cloud results\n\nC...ACTUAL SCIENCE PROCESS (loop on internal process time steps):\nC... Interpolate time dependent layered input variables\nC... (reading those variables for which it is necessary)\n\nC... Get ambient temperature (K)\n call interpolate_var ('TA', mdate, mtime, TA)\n\nC...Get specific humidity (kg H2O / kg air)\n call interpolate_var ('QV', mdate, mtime, QV)\n\nC...Get level heights / layer faces (m)\n call interpolate_var ('ZF', mdate, mtime, ZF)\n\nC...Get mid-layer heights (m)\n call interpolate_var ('ZH', mdate, mtime, ZH)\n\nC...Get pressure (Pa)\n call interpolate_var ('PRES', mdate, mtime, PRES)\n\nC...compute layer thicknesses (m)\n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n DZZ( COL,ROW, 1 ) = ZF( COL,ROW, 1 )\n DO LAY = 2, NLAYS\n DZZ( COL,ROW,LAY ) = ZF( COL,ROW,LAY ) - ZF( COL,ROW,LAY - 1 )\n END DO\n END DO\n END DO\n\nC...Get PBL height (m)\n call interpolate_var ('PBL', mdate, mtime, PBL)\n\nC...advance the MDATE and MTIME to the next time on the met file\nC... to get ready to read the precipitation amounts.\nC... Precipitation data WILL NOT BE INTERPOLATED! Precipitation data\nC... on the input file are amounts within the metfiles timestep.\n\n IF ( .NOT. CURRSTEP( JDATE, JTIME, SDATE, STIME, MSTEP,\n & MDATE, MTIME ) ) THEN\n XMSG = 'Cannot get step-starting date and time'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT3 )\n END IF\n\n CALL NEXTIME ( MDATE, MTIME, MSTEP ) ! set mdate:mtime to the hour\n\nC...Get convective precipitation amount (cm)\n\n call interpolate_var (RC_NAME, mdate, mtime, RC)\n\nC...Convert the rainfall rate into mm/hr, then set a flag noting the\nC... presence of raining clouds if the rainfall is above the specified\nC... threshold\n\n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n RAIN( COL,ROW ) = 10.0 * RC( COL,ROW ) / METSTEP\n END DO\n END DO\n IF ( MINVAL( RAIN ) .LT. 0.0 ) THEN\n XMSG = 'NEGATIVE RAIN...PROBABLY BAD MET DATA... in' // MET_CRO_2D\n CALL M3EXIT ( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n WHERE ( RAIN .GE. RTHRESH ) CONV_DEP( :,:,N_SPC_WDEP + 6 ) = 1.0\n\nC...Loop through all grid cells\n\n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n\n QLQD = 0.0\n QICE = 0.0\n\n CLBASE = NLAYS\n CLTOPUSTBL = NLAYS\n QMAX = 0.0\n PLCL = 0.0\n SRCLAY = NLAYS\n\n DO LAY = 1, NLAYS\n QAD( LAY ) = 0.0\n PRESL( LAY ) = PRES( COL,ROW,LAY )\n TAL( LAY ) = TA( COL,ROW,LAY )\n QVL( LAY ) = QV( COL,ROW,LAY )\n DZZL( LAY ) = DZZ( COL,ROW,LAY )\n DENSL( LAY ) = PRESL( LAY )\n & / ( RDGAS * TAL( LAY ) * ( 1.0 + RWVAP * QVL( LAY ) / RDGAS ) )\n JH2O2( LAY ) = RJ_SUB( COL,ROW,LAY,LH2O2_PHOTOLYSIS )\n JHNO3( LAY ) = RJ_SUB( COL,ROW,LAY,LHNO3_PHOTOLYSIS )\n END DO\n\nC...load aerosol minimum concentrations into the \"CONCMINL\" array\nC... initialize all species to CMIN\n\n! CONCMINL = CMIN\n CONCMINL = 1.0E-25\n\n#ifdef sens\n DDM3D_CONCMINL = 1.0D-15\n#endif\n\nC... set minimum for aerosol species\n\n SPC = 0\n STRT = AE_STRT\n FINI = AE_STRT - 1 + N_AE_SPC\n DO VAR = STRT, FINI\n SPC = SPC + 1\n DO LAY = 1, NLAYS\n CONCMINL( VAR,LAY ) = AECONCMIN( SPC ) / DENSL( LAY )\n END DO\n END DO\n\n DO LAY = 1, NLAYS\n DO SPC = 1, NSPCSD\n CONC( SPC,LAY ) = MAX( CGRD( COL,ROW,LAY,SPC ),\n & CONCMINL( SPC,LAY ) )\n#ifdef sens\n DO NP = 1, NPMAX\n IF ( CGRD( COL,ROW,LAY,SPC ) .LT. CONCMINL( SPC, LAY ) ) THEN\n S_CONC( NP, SPC, LAY ) = 0.0D0\n ELSE\n S_CONC( NP, SPC, LAY ) = REAL ( SENGRID( COL, ROW, LAY, NP, SPC ), 8 )\n END IF\n END DO\n#endif\n END DO\n END DO\n\n#ifdef isam \n DO SPC = 1, NSPC_SA\n CSPC = MAP_SAtoCGR(SPC)\n DO ITAG = 1, NTAG_SA\n DO LAY = 1, NLAYS\n SA_CONC( SPC,LAY,ITAG ) = MAX( ISAM( COL,ROW,LAY,SPC,ITAG ),\nc & CONCMINL( CSPC,LAY ) )\n & 1.0E-30 )\n END DO\n END DO\n END DO\n#endif\n\n\nC...Test for raining clouds\nC...If the rainfall amount is below the specified threshold, then set\nC... values for some of the parameters which will be used when the\nC... routine is called again for non-precipitating clouds...then\nC... skip to the next grid cell.\n\n IF ( RAIN( COL,ROW ) .GE. RTHRESH ) THEN\n ICLDTYPE = 1\n PRATE = RAIN( COL,ROW )\n FRACMAX = 0.0\n ELSE\n ICLDTYPE = 2\n FRACMAX = 0.5\n END IF\n\nC...Determine cloud source level by determining equivalent\nC... potential temperature profile given perturbed temperature\nC... and water vapor to account for local hot spots which\nC... initiate convection. Layer with maximum equivalent\nC... potential temperature is cloud source layer.\n\n SRCLAY = 1\n TMAX = TAL( 1 ) + PERT\n QMAX = QVL( 1 ) + PERQ\n PMAX = PRESL( 1 )\n THMAX = TMAX * ( 1.0E+05 / PMAX ) ** ROVCP\n EQTHM = THMAX * EXP( LVOCP * QMAX / TMAX )\n\n DO LAY = 2, NLAYS\n\n PP = PRESL( LAY )\n\n IF ( ZH( COL,ROW,LAY ) .GT. 3000.0 ) EXIT ! 650 mb\n\n TP = TAL( LAY ) + PERT\n QP = QVL( LAY ) + PERQ\n THMAX = TP * ( 1.0E+05 / PP ) ** ROVCP\n EQTH = THMAX * EXP( LVOCP * QP / TP )\n\n IF ( EQTH .GT. EQTHM ) THEN\n TMAX = TP\n SRCLAY = LAY\n QMAX = QP\n PMAX = PP\n EQTHM = EQTH\n END IF\n\n END DO\n\nC...Equivalent potential temp max is now known between LAY 1\nC... and 650 mb. We now proceed to compute lifting condensation\nC... level. First, compute vapor pressure at the source level.\nC... Find dewpoint using empirical relationship, avoiding\nC... supersaturation. Then compute dew point lapse rate -\nC... see Walcek and Taylor, 1986.\n\n EMAX = QMAX * PMAX / ( MVOMA + QMAX )\n TDMAX = C302 / ( C303 - LOG( EMAX * VPINV ) )\n TDMAX = MIN( TDMAX, TMAX )\n DPLR = ( GRAV * TDMAX * TDMAX ) / ( MVOMA * LV0 * TMAX )\n\nc...Compute difference between dry adiabatic and dew point lapse\nC... rate, height increment above source level to reach LCL,\nC... then calculate value of pressure at LCL. Save result\nC... in CONV_DEP( *,*,N_SPC_WDEP+2 ).\n\n DAMDP = DALR - DPLR\n\n IF ( DAMDP .LE. 0.0 ) THEN\n\n DZLCL = 0.0\n PLCL = PMAX\nC...walcek formula\n TLCL = TMAX\nC...walcek formula\n\n ELSE\n\n DZLCL = ( TMAX - TDMAX ) / DAMDP\nC...walcek formula\n TLCL = TMAX - DALR * DZLCL\nC...walcek formula\n TBAR = TMAX - 0.5 * DALR * DZLCL ! midpt of TMAX, TLCL\n TBAR = MAX( TBAR , 150.0 )\n PLCL = PMAX * EXP( -( GRAV / RDGAS ) * DZLCL / TBAR )\n ZLCL = DZLCL + ZH( COL,ROW, SRCLAY )\n\n END IF\n\n CONV_DEP( COL,ROW, N_SPC_WDEP + 2 ) = PLCL\n\nC...Determine cloud base at LAY in which LCL resides,\nC... but not below layer 2.\n\nC...plcl above middle of top layer\n\n IF ( PRESL( NLAYS ) .GE. PLCL ) THEN\n PLCL = PRESL( NLAYS )\n CLBASE = NLAYS\n CLTOP = CLBASE\n WRITE( LOGDEV,* ) ' WARNING: PLCL above top: Continuing'\n\nC...search loop to find CLBASE\n\n ELSE\n\n CLBASE = NLAYS\n DO LAY = NLAYS, 2, -1\n IF ( PRESL( LAY ) .LE. PLCL ) CLBASE = LAY\n END DO\n\n END IF ! if plcl < ptop or , or ...\n\nC...CLBASE is LAY of LCL. Now, determine cloud top by following\nC... moist adiabat up from CLBASE. Assume a stable sounding\nC... (ISOUND=0) at first. Moist adiabat solver calculates\nC... saturation temperatures TF at the full levels and TSAT( COL,ROW,LAY )\nC... at the half-levels, using a 2nd order Runge method employing\nC... temperatures and pressures at the quarter-levels.\n\n ISOUND = 0\n DO 255 LAY = CLBASE, NLAYS\n\nC...walcek formulas\n\n DP = PRESL( LAY - 1 ) - PRESL( LAY )\n PBAR = PRESL( LAY - 1 ) - DP * 0.5\n IF ( LAY .EQ. CLBASE ) THEN\n DP = PLCL - PRESL( LAY )\n PBAR = PLCL - DP * 0.5\n TBASE = TLCL\n END IF\n\n TBAR = MAX( TBASE - 0.00065 * DP, 150.0 )\n X1 = LV0 * QSAT( ESAT( TBAR ), PBAR ) / ( RDGAS * TBAR ) ! Walcek's\n DTDP = ( ( RDGAS * TBAR ) / ( PBAR * CPD ) ) ! original\n & * ( ( 1.0 + X1 ) ! formulas\n & / ( 1.0 + ( 0.622 * LVOCP / TBAR ) * X1 ) )\n TSAT( LAY ) = MAX( TBASE - DP * DTDP, 150.0 )\n QAD ( LAY ) = QSAT( ESAT( TSAT( LAY ) ), PRESL( LAY ) )\n TBASE = TSAT( LAY )\n\nC...end Walcek formulas\n\nC...QAD is the moist adiabatic saturation mixing ratio, needed\nC... for the entrainment solver\nC... Now make choice on stability of sounding, comparing parcel\nC... temperature TSAT with environmental temperature TA.\nC... ISOUND is index for sounding stability. If ISOUND=0,\nC... moist adiabat never warmer than environment (stable).\nC... ISOUND=1, moist adiabat becomes warmer than environment\nC... (unstable).\n\n IF ( ISOUND .EQ. 0 ) THEN\n IF ( TSAT( LAY ) .GT. TAL( LAY ) ) ISOUND = 1\n ELSE ! cloud top determined by neutral bouyancy\n T1 = TSAT( LAY ) ! - 0.5 * PERT\n IF ( T1 .LT. TAL( LAY ) ) THEN\n CLTOP = LAY - 1\n GO TO 256\n END IF\n END IF\n\n255 CONTINUE ! end loop following moist adiabat\n\n CLTOP = NLAYS - 1 ! if you get here: cloud stable or no top\n\n256 CONTINUE\n\nC...At this point, if ISOUND has not been set to 1, we have a\nC... \"stable\" cloud. In this case, we find cloud top by relative\nC... humidity criterion, or, not let cloud top go above 600mb.\n\n IF ( ISOUND .EQ. 0 ) THEN\n IF ( ICLDTYPE .NE. 1 ) CYCLE ! Loop to next row-column coordinate\n\n DO 265 LAY = CLBASE + 1, NLAYS\n IF ( PRESL( LAY ) .LE. 60000.0 ) THEN\n CLTOP = LAY - 1\n GO TO 267 ! loop exit\n END IF\n RLH = QVL( LAY ) / QSAT( ESAT( TAL( LAY ) ), PRESL( LAY ) )\n IF ( RLH .LT. 0.65 ) THEN\n CLTOP = LAY - 1\n GO TO 267 ! loop exit\n END IF\n265 CONTINUE\n\n CLTOP = NLAYS - 1 ! if you get here: top never found\n\n ELSE\n\n CLTOPUSTBL = CLTOP ! store unstable cloud top\n\n END IF\n\n267 CONTINUE ! loop exit target\n\n CONV_DEP( COL,ROW, N_SPC_WDEP + 3 ) = FLOAT( CLBASE )\n\n IF ( ICLDTYPE .EQ. 1 ) THEN ! store raining cloud top and proceed\n\n CONV_DEP( COL,ROW, N_SPC_WDEP + 4 ) = FLOAT( CLTOP )\n\n ELSE ! get cloud top for either CNP or PFW\n\n IF ( ZLCL .GT. PBL( COL,ROW ) ) CYCLE ! Loop to next row-column coordinate\n\nC...compute relative humidity at the cloud source level\n\n RLHSRC = MIN( 1.0, QVL( SRCLAY )\n & / QSAT( ESAT( TAL( SRCLAY ) ), PRESL( SRCLAY ) ) )\n\nC...If all tests pass, then a CNP or PFW cloud exists\nC... Proceed to find CLTOP for CNP or PFW; don`t allow\nC... cloud top to exceed 500mb, or, when RH falls below\nC... 65%, cloud top found\n\nC...Distiguish between CNP and PFW by whether rain is falling\nC... in the cell; if PFW, limit depth and find new CLTOP,\nC... else leave CLTOP alone\n\n IF ( CLTOP .EQ. CLBASE ) THEN\n GO TO 322\n ELSE ! confine PFW to 1500 meters\n CTOP = CLTOP\n\n DO LAY = CTOP, CLBASE, -1\n IF ( ZH( COL,ROW,LAY ) - ZH( COL,ROW,CLBASE ) .LE. 3000.0 ) THEN\n CLTOP = LAY\n GO TO 322 ! exit loop\n END IF\n END DO\n\n END IF\n\n322 CONTINUE ! loop exit for PFW cloud\n\nC...If unstable CNP or PFW, limit CLTOP to CLTOPUSTBL so that\nC... QAD profile is known through cloud depth for entrainment\nC... solver\n\n IF ( ISOUND .EQ. 1 ) CLTOP = MIN( CLTOP, CLTOPUSTBL )\n\nC...Now compute fractional coverage for either CNP or PFW:\nC...Now based on Sunqdvist et al. 1989 DOI: 10.1175/1520-0493(1989)117<1641:CACPSW>2.0.CO;2 \n FRAC = 0.0\n IF ( GRID_DATA%LWMASK( COL,ROW ) .EQ. 1.0 ) THEN ! land\n#ifdef mpas\n IF ( RLHSRC .GE. RCRITL(COL,ROW) )\n & FRAC = 1.0 - SQRT( ( 1.0 - RLHSRC ) / ( 1.0 - RCRITL(COL,ROW) ) )\n ELSE ! water\n IF ( RLHSRC .GE. RCRITW(COL,ROW) )\n & FRAC = 1.0 - SQRT( ( 1.0 - RLHSRC ) / ( 1.0 - RCRITW(COL,ROW) ) )\n#else\n IF ( RLHSRC .GE. RCRITL )\n & FRAC = 1.0 - SQRT( ( 1.0 - RLHSRC ) / ( 1.0 - RCRITL ) )\n ELSE ! water\n IF ( RLHSRC .GE. RCRITW )\n & FRAC = 1.0 - SQRT( ( 1.0 - RLHSRC ) / ( 1.0 - RCRITW ) )\n#endif\n END IF\n FRAC = MAX( 0.0, MIN( FRAC, 0.95 ) )\n\n IF ( FRAC .LT. 0.01 ) CYCLE ! Loop to next row-column coordinate\n\n CONV_DEP( COL,ROW, N_SPC_WDEP + 5 ) = FLOAT( CLTOP ) ! store NP cloud top\n CONV_DEP( COL,ROW, N_SPC_WDEP + 8 ) = FRAC\n\n END IF ! end of existence, depth and frac cov calc for\n ! either PFW or CNP clouds\n\nC...Now cloud existence is established, initialize various\nC... variables needed for rest of computations\n\nC...First, get mol air/m2 at each layer, initialize FSIDE\n\n DO LAY = 1, NLAYS\n RHOM2( LAY ) = DENSL( LAY ) * DZZL( LAY ) * 1.0E3 / MWAIR\n FSIDE( LAY ) = 0.0\n END DO\n\n DO SPC = 1, NSPCSD\n REMOV( SPC ) = 0.0 ! mol/m2 or mm*mol/lit scavenged\n CEND ( SPC ) = 0.0 ! ending equiv gas phase conc (mol/mol)\n BMOL ( SPC ) = 0.0 ! mol/m2 species below cloud\n POLC ( SPC ) = 0.0 ! mol/m2 species in cloud\n\n DO LAY = 1, NLAYS\n PCLD( SPC,LAY ) = 0.0 ! mol sp/mol air in cloud\n END DO\n\n END DO\n\n#ifdef sens\n S_REMOV = 0.0D0\n S_CEND = 0.0D0\n S_BMOL = 0.0D0\n S_POLC = 0.0D0\n S_BCLDWT = 0.0D0\n S_PCLD = 0.0D0\n#endif\n\nC...compute no. of moles air below cloud base and inverse\n\n AIRMB0 = 0.0\n DO LAY = 1, CLBASE - 1\n AIRMB0 = AIRMB0 + RHOM2( LAY )\n END DO\n\nC...take the inverse\n\n AIRMBI = 1.0 / AIRMB0\n\nC...below cloud base\n\n DO LAY = 1, CLBASE - 1\n\nC...determine no. of mol/m2 of trace gas\n\n DO SPC = 1, NSPCSD\n BMOL( SPC ) = BMOL( SPC ) + CONC( SPC,LAY ) * RHOM2( LAY )\n#ifdef sens\n DO NP = 1, NPMAX\n S_BMOL( NP,SPC ) = S_BMOL( NP,SPC )\n & + S_CONC( NP,SPC,LAY ) * REAL ( RHOM2( LAY ), 8 )\n END DO\n#endif\n END DO\n\n END DO\n\nC...determine average trace gas mixing ratio below cloud level\n\n DO SPC = 1, NSPCSD\n CBASE0( SPC ) = BMOL( SPC ) * AIRMBI\n CBASEF( SPC ) = CBASE0( SPC )\n#ifdef sens\n DO NP = 1, NPMAX\n S_CBASE0( NP,SPC ) = S_BMOL( NP,SPC ) * REAL ( AIRMBI, 8 )\n S_CBASEF( NP,SPC ) = S_CBASE0( NP,SPC )\n END DO\n#endif\n END DO\n\n#ifdef isam\n SA_BMOL = 0.0\n SA_REMOV = 0.0\n SA_CEND = 0.0\n SA_PCLD = 0.0\n SA_POLC = 0.0\n\n DO ITAG = 1, NTAG_SA\n DO LAY = 1, CLBASE - 1\n DO SPC = 1, NSPC_SA\n SA_BMOL( SPC,ITAG ) = SA_BMOL( SPC,ITAG ) +\n & + SA_CONC( SPC,LAY,ITAG )\n & * RHOM2( LAY )\n END DO\n END DO\n END DO\n\n DO ITAG = 1, NTAG_SA\n DO SPC = 1, NSPC_SA\n SA_BASE0(SPC,ITAG) = SA_BMOL( SPC,ITAG ) * AIRMBI\n SA_BASEF(SPC,ITAG) = SA_BASE0(SPC,ITAG)\n END DO\n END DO\n#endif\n\n\nC...Initialize variables needed for entrainment and in-cloud properties solver\n\n QXS = 0.0 ! integrated excess water over grid cell nec. for rnout\n AIRM = 0.0 ! total air mass (mol/m2) in cloudy layers\n PBARC = 0.0 ! in-cloud average pressure\n CTHK = 0.0 ! cloud thickness (m)\n WCBAR = 0.0 ! condensed wat cont (kg/m2) integ. thru cloud depth\n WTBAR = 0.0 ! total wat cont (kg/m2) integrated thru cloud depth\n TBARC = 0.0 ! cloud mean temp (K)\n JH2O2_BAR = 0.0 ! cloud H2O2 photolysis, 1/min\n JHNO3_BAR = 0.0 ! cloud HNO3 photolysis, 1/min\n\n\nC...Determine condensed water content and entrainment at each cloud level\nC...Determine FSIDE profile for raining clouds; side entrainment\nC... only for PFW and CNP clouds\n\n IF ( ICLDTYPE .EQ. 1 ) THEN ! raining cloud\n\n IF ( CLBASE .EQ. CLTOP ) THEN\n FSIDE( CLBASE ) = 1.0\n ELSE\n\n DO LAY = CLBASE, CLTOP\n FSIDE( LAY ) = 1.0\n END DO\n\n END IF\n\n ELSE ! CNP or PFW\n\n DO LAY = CLBASE, CLTOP\n FSIDE( LAY ) = 1.0\n END DO\n\n END IF\n\nC...Use Warner profile to close system of conservation and\nC... thermodynamic equations solved iteratively, using Secant solver\n\n DO LAY = CLBASE, CLTOP\n WL = 0.7 * EXP( ( PRESL( LAY ) - PLCL ) * 0.000125 ) + 0.2\n\n IF ( LAY .EQ. CLBASE ) THEN\n P1 = 0.5 * ( PRESL( LAY ) + PRESL( LAY - 1 ) )\n\n IF ( PLCL .LT. P1 ) THEN\n P2 = 0.5 * ( PRESL( LAY + 1 ) + PRESL( LAY ) )\n P3 = ( P2 + PLCL ) * 0.5\n WL = 0.7 * EXP( ( P3 - PLCL ) * 0.000125 ) + 0.2\n END IF\n\n END IF\n\nc...original Walcek bisection solver\n\n QWAT( LAY ) = WL * ( QMAX - QAD( LAY ) )\n QWAT( LAY ) = MAX( QWAT( LAY ), 1.0E-20 )\n\n TEMPA = TSAT( LAY ) - 20.0\n TEMPB = TSAT( LAY ) + 10.0\n\n QENT = FSIDE( LAY ) * QVL( LAY )\n & + ( 1.0 - FSIDE( LAY ) ) * QVL( CLTOP )\n QDIF = QENT - QMAX\n IF ( QDIF .EQ. 0.0 ) QDIF = 1.0E-10\n F( LAY ) = ( QSAT( ESAT( TEMPA ), PRESL( LAY ) )\n & + QWAT( LAY ) - QMAX ) / QDIF\n F( LAY ) = MIN( F( LAY ), 1.0 )\n F( LAY ) = MAX( F( LAY ), 0.0 )\n\n TTOP = TAL( CLTOP ) * ( PRESL( LAY ) / PRESL( CLTOP ) ) ** ROVCP\n TENT = TTOP * ( 1.0 - FSIDE( LAY ) ) + TAL( LAY ) * FSIDE( LAY )\n\n TI = TSAT( LAY ) * ( 1.0 - F( LAY ) ) + TENT * F( LAY )\n DQL = ( QMAX - QAD( LAY ) ) * ( 1.0 - F( LAY ) - WL )\n DQI = 0.0\n\n IF ( TEMPA .LT. 273.15 ) THEN\n DQI = -QWAT( LAY ) * ( TEMPA - 273.15 ) / 18.0\n IF ( TEMPA .LE. 255.15 ) DQI = QWAT( LAY )\n END IF\n\n FA = CPD * ( TEMPA - TI ) + LV0 * DQL + LF0 * DQI\n\nC...test for convergence, then cut the interval in half\n\n I599C = 0\n\n599 CONTINUE\n\n HTST = TEMPB - TEMPA\n IF ( HTST .LT. TST ) GO TO 595 ! convergence\n I599C = I599C + 1\n\n IF ( I599C .GT. 1000 ) THEN\n WRITE( XMSG, 91010 )\n & 'NO CONVERGENCE IN ENTRAINMENT SOLVER AT COL= ',\n & COL, ' ROW= ', ROW, ' ICLDTYPE= ', ICLDTYPE\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n\n TEMPC = ( TEMPA + TEMPB ) * 0.5\n QENT = FSIDE( LAY ) * QVL( LAY )\n & + ( 1.0 - FSIDE( LAY ) ) * QVL( CLTOP )\n QDIF = QENT - QMAX\n IF ( QDIF .EQ. 0.0 ) QDIF = 1.0E-10\n F( LAY ) = ( QSAT( ESAT( TEMPC ), PRESL( LAY ) )\n & + QWAT( LAY ) - QMAX ) / QDIF\n F( LAY ) = MIN( F( LAY ), 0.99 )\n F( LAY ) = MAX( F( LAY ), 0.01 )\n TTOP = TAL( CLTOP ) * ( PRESL( LAY ) / PRESL( CLTOP ) ) ** ROVCP\n TENT = TTOP * ( 1.0 - FSIDE( LAY ) ) + TAL( LAY ) * FSIDE( LAY )\n TI = TSAT( LAY ) * ( 1.0 - F( LAY ) ) + TENT * F( LAY )\n DQL = ( QMAX - QAD( LAY ) ) * ( 1.0 - F( LAY ) - WL )\n DQI = 0.0\n\n IF ( TEMPC .LT. 273.15 ) THEN\n DQI = -QWAT( LAY ) * ( TEMPC - 273.15 ) / 18.0\n IF ( TEMPC .LE. 255.15 ) DQI = QWAT( LAY )\n END IF\n\n FB = CPD * ( TEMPC - TI ) + LV0 * DQL + LF0 * DQI\n\n FTST = FA * FB\n\nC...if fa*fb < 0 then zero lies between ta & tc\nC...if fa*fb > 0 then zero lies between tc & tb\n\n IF ( FTST .LE. 0.0 ) THEN\n TEMPB = TEMPC\n ELSE\n TEMPA = TEMPC\n END IF\n GO TO 599\n\n595 CONTINUE ! exit from iterator, convergence achieved\n\nC...we have obtained parcel temp TEMPC at layer LAY\nC...and entrainment fraction F(LAY)\n\nC...end of Walcek bisection solver\n\n TCLD( LAY ) = MAX( TEMPC, 150.0 )\n\nC...ice load in cloud is a function of temperature below freezing\n\n IF ( TCLD( LAY ) .LT. 273.15 ) THEN\n QICE( LAY ) = -QWAT( LAY ) * ( TCLD( LAY ) - 273.15 ) / 18.0\n IF ( TCLD( LAY ) .LE. 255.15 ) QICE( LAY ) = QWAT( LAY )\n END IF\n\nC...After determining the ice fraction, compute the actual\nC... liquid water mixing ratio:\n\n QLQD( LAY ) = QWAT( LAY ) - QICE( LAY )\n\nC...compute the Liquid Water Content (LWC) by taking the\nC... product of the liquid wat mix ratio and the air density\nC... LWC in kg H2O per m**3 air:\n\n RHOAIR = PRESL( LAY ) / ( RDGAS * TCLD( LAY ) )\n LWC( LAY ) = QLQD( LAY ) * RHOAIR\n LWC( LAY ) = MAX( 5.0E-6, LWC( LAY ) ) ! lower limit\n TWC = QWAT( LAY ) * RHOAIR ! total water content\n\nC...Now perform vertical integration, weighting by liquid water\nC... content so that averaged quantities (used in Aqueous\nC... Chemistry) get the greatest weight where the liquid\nC... water content is greatest.\n\nC...weighted cloud temp\n TBARC = TBARC + TCLD( LAY ) * DZZL( LAY ) * LWC( LAY )\n\nC...weighted cloud pres\n PBARC = PBARC + PRESL( LAY ) * DZZL( LAY ) * LWC( LAY )\n\nC...weighted photolysis rate \n JH2O2_BAR = JH2O2_BAR + JH2O2( LAY ) * DZZL( LAY ) * LWC( LAY ) \n JHNO3_BAR = JHNO3_BAR + JHNO3( LAY ) * DZZL( LAY ) * LWC( LAY ) \n\nC...integrated liquid water content (kg/m3)\n WCBAR = WCBAR + DZZL( LAY ) * LWC( LAY )\n\nC...integrated total water content\n WTBAR = WTBAR + DZZL( LAY ) * TWC\n CTHK = CTHK + DZZL( LAY ) ! Cloud thickness\n\nC...Now compute integrated excess water over grid cell\nC... average necessary for rainout, through cloud depth.\nC... First, get max temp in the cell (either in cloud or env.)\n\n T1 = MAX( TCLD( LAY ), TAL( LAY ) )\n\nC...get saturation water vapor mixing ratio at that temp:\n\n QVC( LAY ) = QSAT( ESAT( T1 ), PRESL( LAY ) )\n\nC...excess water is the sum of total condensed and saturated\nC... vapor minus grid cell average mixing ratio: QXS in kg/m2:\nC... integrated through cloud depth\n\n QXS = QXS\n & + ( QWAT( LAY ) + QVC( LAY ) - QVL( LAY ) )\n & * RHOAIR * DZZL( LAY )\n\nC...get total air mass in cloudy layers:\n\n AIRM = AIRM + RHOM2( LAY )\n\n END DO\n\nC...Now begin to split calculations for non-raining and raining\nC... clouds depending on inner loop index ICLDTYPE (1 = raining,\nC... 2 = nonraining: either CNP of PFW:)\n\n IF ( ICLDTYPE .EQ. 2 ) THEN ! no precip or excess water\n PRATE1 = 1.0E-30\n PRATE = 1.0E-30\n QXS = 1.0E-30\n ELSE\n\nC...continue here for raining cloud...\n\nC...get PRATE1, storm rainout rate in mm/hour, noting that 1 kg\nC... of water occupies a 1 mm thick layer of water in a square meter\nC... of ground (accounts for density of water = 1000 kg/m3)\n\n PRATE1 = STORME * QXS * 3600.0 / TCLIFE\n IF ( PRATE1 .LE. 1.001 * PRATE ) THEN\n FRAC = 0.999 ! Changed back to .999 - jp 6/05\n PRATE1 = PRATE / FRAC\n ELSE\n FRAC = PRATE / PRATE1\n END IF\n IF ( FRAC .LT. 0.01 ) CYCLE ! Loop to next row-column coordinate\n\nC...for raining cloud, compute water properties of interest\nC... below cloud base. First, parameterize total water content\n\n TWC = ( 0.067 * PRATE ** ( 0.846 ) ) / ( FRAC * 1000.0 ) ! tot wat cont kg/m3\n \n DO LAY = 1, CLBASE - 1\n TCLD( LAY ) = TAL( LAY )\n RHOAIR = PRESL( LAY ) / ( RDGAS * TCLD( LAY ) )\n QWAT( LAY ) = TWC / RHOAIR ! kg H2O / kg air\n\nC...again partition into ice and liquid\n\n IF ( TCLD( LAY ) .LT. 273.15 ) THEN\n QICE( LAY) = -QWAT( LAY ) * ( TCLD( LAY ) - 273.15 ) / 18.0\n IF ( TCLD( LAY ) .LE. 255.15 ) QICE( LAY ) = QWAT( LAY )\n END IF\n \n QLQD( LAY ) = QWAT( LAY ) - QICE( LAY )\n LWC ( LAY ) = QLQD( LAY ) * RHOAIR\n LWC ( LAY ) = MAX( 5.0E-06, LWC( LAY ) ) ! lower limit\n PBARC = PBARC + PRESL( LAY ) * DZZL( LAY ) * LWC( LAY )\n TBARC = TBARC + TCLD( LAY ) * DZZL( LAY ) * LWC( LAY )\n WCBAR = WCBAR + DZZL( LAY ) * LWC( LAY )\n WTBAR = WTBAR + DZZL( LAY ) * TWC\n CTHK = CTHK + DZZL( LAY )\n JH2O2_BAR = JH2O2_BAR + JH2O2( LAY ) * DZZL( LAY ) * LWC( LAY )\n JHNO3_BAR = JHNO3_BAR + JHNO3( LAY ) * DZZL( LAY ) * LWC( LAY )\nC...excess water is all rain\n\n QXS = QXS + QWAT( LAY ) * RHOAIR * DZZL( LAY )\n \n END DO\n\nC...Final calc of storm rainfall rate and frac area (raining clds)\n\n PRATE1 = STORME * QXS * 3600.0 / TCLIFE\n \n IF ( PRATE1 .LE. 1.001 * PRATE ) THEN\n FRAC = 0.999 ! Changed back to .999 - jp 6/05\n PRATE1 = PRATE / FRAC\n ELSE\n FRAC = PRATE / PRATE1\n END IF\n IF ( FRAC .LT. 0.01 ) CYCLE ! Loop to next row-column coordinate\n \n CONV_DEP( COL,ROW, N_SPC_WDEP + 7 ) = FRAC\n\n END IF ! target of cloudtype split\n\n\nC...Begin mixing section, perform first for raining clouds using\nC... modified form of original Walcek mixing for RADM: mixing\nC... limited to 1 layer above cloud top; next for CNP or PFW clouds\nC... using direct exchange mixing mechanism by McHenry.\n\n DO SPC = 1, MXSPCS\n DO LAY = 1, NLAYS\n CCR( SPC, LAY ) = CONC( SPC,LAY )\n#ifdef sens\n DO NP = 1, NPMAX\n S_CCR( NP,SPC, LAY ) = S_CONC( NP,SPC,LAY )\n END DO\n#endif\n END DO\n CBELOW( SPC ) = CBASE0( SPC )\n#ifdef sens\n DO NP = 1, NPMAX\n S_CBELOW( NP,SPC ) = S_CBASE0( NP,SPC )\n END DO\n#endif \n END DO\n\n! -- Need to use dens * delz for ACM mixing\n DO LAY = 1, NLAYS\n DZH(LAY) = RHOM2( LAY )\n ENDDO\n LAY = CLBASE - 1\n\n DZH(LAY) = AIRMB0\n\n#ifdef isam\n DO ITAG = 1, NTAG_SA\n DO SPC = 1, NSPC_SA\n DO LAY = 1, NLAYS\n SA_CCR( SPC, LAY,ITAG ) = SA_CONC( SPC,LAY,ITAG )\n END DO\n SA_CBELOW( SPC,ITAG ) = SA_BASE0( SPC, ITAG )\n END DO\n END DO\n#endif\n\n CALL ACMCLD ( NSPCSD, NLAYS, F, CCR, DZH, CBELOW, CLBASE, CLTOP,\n & FRAC, TCLIFE, DTCLD )\n\n#ifdef isam\n DO ITAG = 1, NTAG_SA\n CALL ACMCLD ( NSPC_SA, NLAYS, F, SA_CCR(:,:,ITAG), DZH, \n & SA_CBELOW(:,ITAG), CLBASE, CLTOP,\n & FRAC, TCLIFE, DTCLD )\n END DO\n#endif\n\n DO SPC = 1, MXSPCS\n CBASEF( SPC ) = CBELOW( SPC ) \n#ifdef sens\n DO NP = 1, NPMAX\n S_CBASEF( NP,SPC ) = S_CBELOW( NP,SPC )\n END DO\n#endif\n END DO\n\n#ifdef isam\n DO ITAG = 1, NTAG_SA\n DO SPC = 1, NSPC_SA\n SA_BASEF( SPC,ITAG ) = SA_CBELOW( SPC,ITAG )\n END DO\n END DO\n#endif\n\n DO LAY = CLTOP, CLBASE, -1\n DO SPC = 1, NSPCSD\n CONDIS = CONC( SPC,LAY )\n PCLD( SPC,LAY ) = F( LAY ) * ( FSIDE( LAY ) * CONDIS )\n & + ( 1.0 - F( LAY ) ) * CBASE0( SPC )\n PCLD( SPC,LAY ) = MIN( PCLD( SPC,LAY ), CCR( SPC,LAY ) / FRAC )\n\n#ifdef sens\n DO NP = 1, NPMAX\n S_CONDIS = S_CONC( NP, SPC, LAY )\n S_PCLD( NP, SPC, LAY ) = F( LAY ) * ( FSIDE( LAY ) * S_CONDIS )\n & + ( 1.0 - F( LAY ) ) * S_CBASE0( NP,SPC )\n IF ( PCLD( SPC, LAY ) .EQ. ( CCR( SPC, LAY ) / FRAC ) ) THEN\n S_PCLD( NP, SPC, LAY ) = S_CCR( NP, SPC, LAY ) / FRAC\n END IF\n\n END DO\n#endif\n\nC...POLC in mol sp/m2\n\n POLC( SPC ) = POLC( SPC )\n & + PCLD( SPC,LAY ) * RHOM2( LAY )\n#ifdef isam\n CSPC = 0\n CSPC = INDEXINT1(SPC,NSPC_SA,MAP_SAtoCGR(:))\n\n IF ( CSPC .NE. 0) THEN\n DO ITAG = 1, NTAG_SA\n CONDIS = SA_CONC( CSPC,LAY,ITAG )\n\n SA_PCLD( CSPC,LAY,ITAG ) = F( LAY ) * ( FSIDE( LAY ) * CONDIS )\n & + ( 1.0 - F( LAY ) ) * SA_BASE0( CSPC,ITAG )\nc IF ( ( CCR( SPC,LAY ) / FRAC) .EQ. PCLD( SPC,LAY ) ) THEN\nc SA_PCLD( CSPC,LAY,ITAG ) = SA_CCR( CSPC,LAY,ITAG ) / FRAC \nc END IF\n\n SA_PCLD( CSPC,LAY,ITAG ) = MIN( SA_PCLD( CSPC,LAY,ITAG ), SA_CCR( CSPC,LAY,ITAG ) / FRAC )\n\n SA_POLC( CSPC,ITAG ) = SA_POLC( CSPC,ITAG )\n & + SA_PCLD( CSPC,LAY,ITAG ) * RHOM2( LAY )\n END DO\n END IF\n#endif\n\n#ifdef sens\n DO NP = 1, NPMAX\n S_POLC( NP, SPC ) = S_POLC( NP, SPC )\n & + S_PCLD( NP, SPC, LAY ) * REAL ( RHOM2( LAY ), 8 )\n END DO\n#endif\n\n END DO\n END DO\n\nC...Now compute for raining region below cloud which is also considered\nC... to be part of the aqueous reaction chamber\n\n DO LAY = 1, CLBASE - 1\n AIRM = AIRM + RHOM2( LAY )\n\n DO SPC = 1, NSPCSD\n IF ( CBASE0( SPC ) .GT. 0.0 ) THEN\n BCLDWT = CONC( SPC,LAY ) / MAX( CBASE0( SPC ), 1.0E-30 )\n#ifdef sens\n DO NP = 1, NPMAX\n IF ( CBASE0( SPC ) .GT. 1.0E-30 ) THEN\n\n IF ( S_CBASE0( NP, SPC ) .LT. DDM3D_CONCMINL ) THEN\nc S_BCLDWT( NP, SPC, LAY ) = 1.0D0\n S_BCLDWT( NP, SPC, LAY ) = 0.0D0\n ELSE\n S_BCLDWT( NP, SPC, LAY ) = S_CONC( NP, SPC,LAY ) \n & / S_CBASE0( NP, SPC )\n END IF\n ELSE\nc S_BCLDWT( NP, SPC, LAY ) = S_CONC( NP, SPC, LAY)\nc & / DDM3D_CONCMINL\nc S_BCLDWT( NP, SPC, LAY ) = 1.0D0\n S_BCLDWT( NP, SPC, LAY ) = 0.0D0\n END IF\n END DO\n#endif \n ELSE\n BCLDWT = 1.0\n#ifdef sens\n DO NP = 1, NPMAX\n S_BCLDWT( NP, SPC, LAY ) = 1.0\n END DO\n#endif\n END IF\n\n IF ( STM ) THEN\n IF ( SPC .NE. SURCLDMX( SPC ) ) THEN ! use its mixing surrogate\n IF ( CBASE0( SURCLDMX( SPC ) ) .GT. 0.0 ) THEN\n BCLDWT = CONC( SURCLDMX( SPC ),LAY ) / MAX( CBASE0( SURCLDMX( SPC ) ), 1.0E-30 )\n ELSE\n BCLDWT = 1.0\n END IF\n END IF\n END IF ! stm\n \n PCLD( SPC,LAY ) = BCLDWT * CBASEF( SPC )\n\n#ifdef sens\n DO NP = 1, NPMAX\n S_PCLD( NP, SPC, LAY ) = S_CBASEF( NP, SPC ) * S_BCLDWT( NP, SPC, LAY )\n END DO\n#endif\n\nC...Necessary because CBASEF and CBASE0 are the ending vertical averages\nC... below cloud concentrations in mol sp/mol air\n\n IF ( ICLDTYPE .EQ. 1 ) THEN\n POLC( SPC ) = POLC( SPC ) + PCLD( SPC, LAY ) * RHOM2( LAY )\n#ifdef sens\n DO NP = 1, NPMAX\n S_POLC( NP, SPC ) = S_POLC( NP, SPC )\n & + S_PCLD( NP, SPC, LAY ) * REAL ( RHOM2( LAY ), 8 )\n END DO\n#endif\n END IF\n\n#ifdef isam\n CSPC = 0\n CSPC = INDEXINT1(SPC,NSPC_SA,MAP_SAtoCGR(:))\n IF ( CSPC .NE. 0) THEN\n DO ITAG = 1, NTAG_SA\n\nc BCLDWT = SA_CONC( CSPC,LAY,ITAG ) / MAX( SA_BASE0( CSPC, ITAG ),1.0E-30 )\n SA_PCLD( CSPC,LAY, ITAG ) = BCLDWT * SA_BASEF( CSPC,ITAG )\n\n IF ( ICLDTYPE .EQ. 1 ) THEN\n SA_POLC( CSPC, ITAG ) = SA_POLC( CSPC, ITAG )\n & + SA_PCLD( CSPC, LAY, ITAG)\n & * RHOM2( LAY )\n END IF\n END DO\n END IF\n#endif\n\n END DO\n\n END DO\n\nC...Compute cloud mean quantities\n\n AIRM = MAX( AIRM, 1.0E-30 ) ! tot. air mass in cloudy layers in mol/m2\n\n WCBAR = MAX( WCBAR, 1.0E-30 ) ! liq.wat. content in kg/m3 * CTHK\n\n WTBAR = MAX( WTBAR, 1.0E-30 ) ! condensed wat cnt: kg/m3 * CTHK\n\n CTHK = MAX( CTHK, 1.0E-30 ) ! cloud thickness, meters\n\n TBARC = TBARC / WCBAR ! deg K (note WCBAR has hidden factor CTHK in it)\n PBARC = PBARC / WCBAR ! avg cloud pres, Pa\n\n JH2O2_BAR = JH2O2_BAR / WCBAR ! avg H2O2 photolysis, 1/min\n JHNO3_BAR = JHNO3_BAR / WCBAR ! avg HNO3 photolysis, 1/min\n\n WCBAR = WCBAR / CTHK ! avg liq wat content in kg/m3\n\n WTBAR = WTBAR / CTHK ! avg con wat content in kg/m3\n\nC...Calculate the cloud optical depth using a formula derived from\nC... Stephens (1978), JAS(35), pp2111-2132.\nC... only calculate the cloud optical depth when the liquid water\nC... path is >= 10 g/m2\n\n LWP = WTBAR * CTHK * 1000.0 ! converts to g/m2\n IF ( LWP .GE. 10.0 ) THEN\n CLOD = 10.0 ** ( 0.2633 + 1.7095 * LOG( LOG10( LWP ) ) )\n ELSE\n CLOD = 0.0\n END IF\n\nC...If no cloud or optical depth < 5, set clear sky values.\nC... (i.e. don`t do anything)\n\n IF ( CLOD .GE. 5.0 ) THEN\n\n STRNS = 1.0 + FRAC * ( ( 5.0 - EXP ( -CLOD ) )\n & / ( 4.0 + 0.42 * CLOD ) - 1.0 )\n\n IF ( ICLDTYPE .EQ. 1 ) THEN ! precipitating cloud\n SUBTRANS( COL,ROW,1 ) = STRNS\n ELSE\n SUBTRANS( COL,ROW,2 ) = STRNS\n END IF\n \n END IF\n\nC...Finally, get in cloud pollutant concentrations in mol sp per mol air\n\n DO SPC = 1, NSPCSD\n POLC ( SPC ) = POLC( SPC ) / AIRM\n CEND ( SPC ) = POLC( SPC )\n REMOV( SPC ) = 0.0\n#ifdef sens\n DO NP = 1, NPMAX\n S_POLC ( NP, SPC ) = S_POLC( NP, SPC ) / REAL ( AIRM, 8 )\n S_CEND ( NP, SPC ) = S_POLC( NP, SPC )\n S_REMOV( NP, SPC ) = 0.0D0\n END DO\n#endif\n END DO\n\n REMOVAC = 0.0\n#ifdef sens\n S_REMOVAC = 0.0D0\n#endif\n\n ARPRES = PBARC / STDATMPA\n RTCH = ( MOLVOL / STDTEMP ) * TBARC\n CTHK1 = AIRM * RTCH / ( ARPRES * 1000.0 )\n\n#ifdef isam\n DO SPC = 1, NSPC_SA\n DO ITAG = 1, NTAG_SA\n SA_POLC( SPC, ITAG ) = SA_POLC( SPC, ITAG ) / AIRM\n SA_CEND( SPC, ITAG ) = SA_POLC( SPC, ITAG )\n END DO\n END DO\n SA_REMOV = 0.0\n#endif \n\n CALL SCAVWDEP ( JDATE, JTIME, WTBAR,\n & WCBAR, TBARC, PBARC,\n & CTHK1, AIRM, PRATE1, DTCLD, POLC, CEND,\n & REMOV, REMOVAC, ALFA0, ALFA2, ALFA3 )\n\n#ifdef isam\n DO SPC = 1, NSPC_SA\n CSPC = MAP_SAtoCGR(SPC)\n SA_SUM = SUM ( SA_POLC( SPC,: ) )\nc IF ( POLC( CSPC ) .GT. 1.0E-30 .AND. CEND( CSPC ) .GT. 1.0E-09 ) THEN\nc IF ( POLC( CSPC ) .GT. 1.0E-30 ) THEN \n IF ( SA_SUM .GT. 1.0E-25 ) THEN\n DO ITAG = 1, NTAG_SA\n SA_CEND( SPC, ITAG ) = SA_POLC( SPC, ITAG )\n & * ( CEND( CSPC )\nc & / POLC( CSPC ) )\n & / SA_SUM )\n SA_REMOV( SPC, ITAG ) = SA_POLC( SPC, ITAG )\n & * ( REMOV( CSPC )\nc & / POLC( CSPC ) )\n & / SA_SUM )\n END DO\n ELSE \n DO ITAG = 1, NTAG_SA\n SA_CEND( SPC, ITAG ) = 0.0\n SA_REMOV( SPC, ITAG ) = 0.0\n END DO\n END IF\n END DO\n#endif\n\nC...if the liquid water content is above the specified threshold\nC... then perform the aqueous chemistry within the cloud and\nC... re-adjust the ending and removed amounts for those species\nC... that participated in cloud chemistry\n\n IF ( WCBAR .GT. 1.0E-05 ) THEN\n \nC... determine day or night from cosine of zenith angle for the cell; Golam Sarwar\n\n COSZ = MET_DATA%COSZEN( COL,ROW )\n\n IF ( COSZ .LE. 0.0 ) THEN\nC...set mean photolysis rates to zero\n JH2O2_HYDROMETEORS = 0.0D0 \n JHNO3_HYDROMETEORS = 0.0D0\n ELSE\nC...convert mean photolysis rates to 1/sec\n JH2O2_HYDROMETEORS = REAL( JH2O2_BAR * MINPERSEC, 8 ) \n JHNO3_HYDROMETEORS = REAL( JHNO3_BAR * MINPERSEC, 8 )\n END IF\n\nC...in aqchem, H2SO4 gas is added to ASO4J\nC... mimic this for the ASO4GASJ tracking species\n IF ( STM ) THEN\n POLC( AEROSPC_MAP( ASO4GAS_IDX, 2 ) ) = POLC( AEROSPC_MAP( ASO4GAS_IDX, 2 ) )\n & + POLC( PRECURSOR_MAP( SULF_IDX ) )\n CEND( AEROSPC_MAP( ASO4GAS_IDX, 2 ) ) = POLC( AEROSPC_MAP( ASO4GAS_IDX, 2 ) )\n END IF\n\n CALL AQ_MAP ( JDATE, JTIME, WTBAR, WCBAR, TBARC, PBARC,\n & CTHK1, AIRM, PRATE1, DTCLD, POLC, CEND,\n & REMOV, REMOVAC, ALFA0, ALFA2, ALFA3, COSZ )\n\n\n#ifdef isam\n DO SPC = 1, NSPC_SA ! general case\n CSPC = MAP_SAtoCGR(SPC)\n SA_SUM = SUM ( SA_POLC( SPC,: ) )\n DO ITAG = 1, NTAG_SA\nc IF ( POLC( CSPC ) .GT. 1.0E-30 ) THEN\n IF ( SA_SUM .GT. 1.0E-25 ) THEN\n SA_CEND( SPC,ITAG ) = SA_POLC( SPC,ITAG )\n & * ( CEND( CSPC )\nc & / MAX( 1.0E-26,POLC( CSPC ) ) )\n & / SA_SUM )\n SA_REMOV( SPC,ITAG ) = SA_POLC( SPC, ITAG )\n & * ( REMOV( CSPC )\nc & / MAX( 1.0E-25, POLC( CSPC ) ))\n & / SA_SUM )\n ELSE\n SA_CEND( SPC,ITAG ) = 0.0\n SA_REMOV( SPC,ITAG ) = 0.0\n END IF\n END DO\n END DO\n IF ( S_N2O5 .NE. 0 ) THEN\n DO ITAG = 1, NTAG_SA\n SA_CEND( S_N2O5,ITAG ) = 0.0\n END DO\n END IF\n IF (S_SO4J .NE. 0 ) THEN ! sulfate case\n\n DO ITAG = 1, NTAG_SA ! sulfate from H2SO4\n SA_DS4( ITAG ) = SA_POLC( S_SULF,ITAG )\n SA_CEND( S_SULF,ITAG ) = 1.0E-30\n END DO\n\n DO ITAG = 1, NTAG_SA\n SA_DS4( ITAG ) = SA_DS4( ITAG ) + DS4_SAVE ! total sulfate produced\n & * ( SA_POLC( S_SO2,ITAG )\n & / SUM ( SA_POLC( S_SO2,: ) ) )\n SA_CEND( S_SO4J,ITAG ) = SA_POLC( S_SO4J,ITAG ) ! sulfate before removal\n & + SA_DS4( ITAG )\n END DO\n\n SA_SUM = SUM ( SA_CEND( S_SO4J,: ) ) ! total apportioned sulfate before removal\n \n DO ITAG = 1, NTAG_SA ! final sulfate removal and concentration\n SA_REMOV( S_SO4J,ITAG ) = REMOV_SAVE\n & * ( SA_CEND( S_SO4J,ITAG )\n & / SA_SUM )\n SA_CEND( S_SO4J,ITAG ) = SA_CEND( S_SO4J,ITAG )\n & - DEPSUM_SAVE\n & * ( SA_CEND( S_SO4J,ITAG )\n & / SA_SUM )\n SA_CEND( S_SO4J,ITAG ) = MAX ( SA_CEND( S_SO4J,ITAG ), 1.0E-30 )\n END DO\n\n END IF\n\n IF (S_AORGCJ .NE. 0 ) THEN ! AORGCJ case\n SA_DCSOA_GLY = 0.0\n SA_DCSOA_MGLY = 0.0\n DO ITAG = 1, NTAG_SA\n IF ( S_GLY .NE. 0 ) THEN\n SA_DCSOA_GLY( ITAG ) = DGLY1_SAVE\n & * SA_POLC( S_GLY,ITAG )\n & / MAX( 1.0E-25, SUM ( SA_POLC( S_GLY,: ) ) )\n END IF\n IF ( S_MGLY .NE. 0 ) THEN\n SA_DCSOA_MGLY( ITAG ) = DMGLY1_SAVE\n & * SA_POLC( S_MGLY,ITAG )\n & / MAX( 1.0E-25, SUM ( SA_POLC( S_MGLY,: ) ) )\n END IF\n SA_CEND( S_AORGCJ,ITAG ) = SA_POLC( S_AORGCJ,ITAG ) ! AORGCJ before removal\n & + SA_DCSOA_GLY( ITAG )\n & + SA_DCSOA_MGLY( ITAG )\n END DO\n SA_SUM = MAX( 1.0E-25, SUM ( SA_CEND( S_AORGCJ,: ) ) ) ! total apportioned AORGCJ before removal\n DO ITAG = 1, NTAG_SA ! final AORGCJ removal and concentration\n SA_REMOV( S_AORGCJ,ITAG ) = REMOV_AORGC_SAVE\n & * SA_CEND( S_AORGCJ,ITAG )\n & / SA_SUM\n SA_CEND( S_AORGCJ,ITAG ) = SA_CEND( S_AORGCJ,ITAG )\n & - DEPSUM_AORGC_SAVE\n & * SA_CEND( S_AORGCJ,ITAG )\n & / SA_SUM\n SA_CEND( S_AORGCJ,ITAG ) = MAX ( SA_CEND( S_AORGCJ,ITAG ), 1.0E-30 )\n END DO\n END IF\n#endif\n END IF\n\n DO SPC = 1, N_CGRID_SPC\n IF ( CEND( SPC ) .LT. 0.0 ) \n & WRITE( LOGDEV,* ) ' CEND,R,C,SP=',\n & CEND( SPC ), ROW, COL, SPC\n END DO\n\nC...weight the removed amount by the cloud fraction and convert\nC... from mol/m2 to kg/m2 and kg/m2 to kg/hectare\n\nC...convert removal change from moles/m**2 to kg/m**2 and kg/m**2 to kg/hectare\n\n DO I = 1,N_CGRID_SPC\n IF ( CGRID_MASK_NUM( I ) .OR.\n & CGRID_MASK_SRF( I ) ) THEN\n ! Aerosol Number (N m-2 -> N ha-1)\n ! Aerosol Surface Area (m2 m-2 -> m2 ha-1)\n REMOV( I ) = REMOV( I ) * M2PHA * FRAC\n#ifdef sens\n DO NP = 1, NPMAX\n S_REMOV( NP,I ) = S_REMOV( NP,I ) * REAL( M2PHA * FRAC, 8 )\n END DO\n#endif\n ! ISAM does not track aerosol number or surface\n ! area\n\n ELSE\n \n ! Gas and Aerosol Mass (moles m-2 -> kg ha-1)\n REMOV( I ) = REMOV( I ) * CGRID_MW( I ) * M2PHA_OVER_GPKG * FRAC\n#ifdef sens\n DO NP = 1, NPMAX\n S_REMOV( NP,I ) = S_REMOV( NP,I ) * CGRID_MW( I ) * M2PHA_OVER_GPKG * FRAC\n END DO\n#endif\n#ifdef isam\n CSPC = 0\n CSPC = INDEXINT1(I,NSPC_SA,MAP_SAtoCGR(:))\n IF ( CSPC .GT. 0 ) THEN\n DO ITAG = 1, NTAG_SA\n SA_REMOV( CSPC,ITAG ) = SA_REMOV( CSPC,ITAG ) * CGRID_MW( I )\n & * M2PHA_OVER_GPKG * FRAC\n END DO\n END IF\n#endif\n END IF\n\n\n END DO\n\nC...add deposition amounts into the DEP array\n\n DO VAR = 1, N_SPC_WDEP\n CONV_DEP( COL,ROW,VAR ) = CONV_DEP( COL,ROW,VAR )\n & + REMOV( MAP_WDEPtoCGRID( VAR ) )\n#ifdef sens\n DO NP = 1, NPMAX\n S_CONDEP( COL, ROW, NP, VAR ) = S_CONDEP( COL, ROW, NP,VAR )\n & + S_REMOV( NP, MAP_WDEPtoCGRID( VAR ) )\n END DO\n#endif\n END DO\n\nC... and load H+ concentration into the deposition array as well\n\n CONV_DEP( COL,ROW,N_SPC_WDEP+1 ) = CONV_DEP( COL,ROW,N_SPC_WDEP+1 )\n & + REMOVAC\n\n#ifdef sens\n DO NP = 1, NPMAX\n S_CONDEP( COL,ROW,NP,N_SPC_WDEP+1 ) = S_CONDEP( COL,ROW,NP,N_SPC_WDEP+1 )\n & + S_REMOVAC( NP )\n END DO\n#endif\n\n\n#ifdef isam\n DO ITAG = 1, NTAG_SA\n DO SPC = 1, NSPC_SA\n CONV_SADEP( COL,ROW,SPC,ITAG ) = CONV_SADEP( COL,ROW,SPC,ITAG )\n & + SA_REMOV( SPC,ITAG )\n END DO\n END DO\n#endif\n\nC...Compute concentration changes in the grid column resulting\nC... from subgrid scale vertical mixing:\n\nC...first, below cloud base,\nC... include raining region below cld base\n\n IF ( ICLDTYPE .EQ. 1 ) THEN ! raining cloud\n DO LAY = 1, CLBASE - 1\n DO SPC = 1, NSPCSD\n IF ( SPC .NE. N_GC_SPCD ) THEN\n INCLOUD = PCLD( SPC,LAY ) * CEND( SPC )\n & / MAX( POLC( SPC ), CONCMINL( SPC,LAY ) )\n\n IF ( STM ) THEN\n IF ( SPC .NE. SURCLDMX( SPC ) ) THEN ! use its surrogate\n IF ( POLC( SURCLDMX( SPC ) ) .GT. 0.0 ) THEN\n INCLOUD = PCLD( SURCLDMX( SPC ),LAY ) * CEND( SPC )\n & / MAX( POLC( SURCLDMX( SPC ) ), CONCMINL( SURCLDMX( SPC ),LAY ) )\n ELSE\n INCLOUD = CEND( SPC )\n END IF\n END IF\n END IF ! stm\n\n OUTCLOUD = PCLD( SPC,LAY )\n CGRD( COL,ROW,LAY,SPC ) = FRAC * INCLOUD\n & + ( 1.0 - FRAC ) * OUTCLOUD\n\n#ifdef sens\n DO NP = 1, NPMAX\n IF( ABS( S_POLC( NP, SPC ) ) .LT. DDM3D_CONCMINL ) THEN\n S_INCLOUD( NP, SPC, LAY ) = 0.0D0\n ELSE\n S_INCLOUD( NP, SPC, LAY ) = S_PCLD( NP,SPC,LAY ) * S_CEND( NP,SPC )\n & / S_POLC( NP, SPC )\n ENDIF\n S_OUTCLOUD( NP, SPC, LAY ) = S_PCLD( NP,SPC, LAY )\n SENGRID( COL, ROW, LAY, NP, SPC ) =\n & S_INCLOUD ( NP, SPC, LAY ) * FRAC\n & + S_OUTCLOUD( NP, SPC, LAY ) * ( 1.0 - FRAC )\n END DO\n#endif\n END IF\n END DO\n#ifdef isam\n DO SPC = 1, NSPC_SA ! general case\n CSPC = MAP_SAtoCGR(SPC)\n \n IF ( CEND( CSPC ) .GT. 1.0E-09) THEN\n DO ITAG = 1, NTAG_SA\n INCLOUD = SA_PCLD( SPC, LAY, ITAG )\n & * ( SA_CEND( SPC, ITAG )\n & / MAX( SA_POLC( SPC, ITAG ), CONCMINL( CSPC,LAY ) ) )\n OUTCLOUD = SA_PCLD( SPC, LAY, ITAG )\n ISAM( COL,ROW,LAY,SPC,ITAG ) = FRAC * INCLOUD\n & + ( 1.0 - FRAC ) * OUTCLOUD\n END DO\n END IF\n END DO\n\n IF (S_SO4J .NE. 0 ) THEN ! sulfate case\n\n CONDIS = 0.0\n DO ITAG = 1, NTAG_SA\n SA_INCLOUD( ITAG ) = PCLD( C_SO4J,LAY ) * ( SA_CEND( S_SO4J,ITAG ) \n & / MAX( POLC( C_SO4J ), CONCMINL( C_SO4J,LAY ) ) )\n & - ( PCLD( C_SO4J,LAY ) * CEND( C_SO4J ) / MAX( POLC( C_SO4J ), CONCMINL( C_SO4J,LAY ) ) )\n & * SA_POLC( S_SO4J,ITAG ) / MAX( POLC( C_SO4J ), CONCMINL( C_SO4J,LAY ) )\n & + SA_PCLD( S_SO4J,LAY,ITAG ) * CEND( C_SO4J ) / MAX( POLC( C_SO4J ), CONCMINL( C_SO4J,LAY ) )\n IF ( SA_INCLOUD( ITAG ) .LT. 0.0 ) THEN\n CONDIS = CONDIS + SA_INCLOUD( ITAG )\n SA_INCLOUD( ITAG ) = 0.0\n END IF\n END DO\n\n IF ( CONDIS .NE. 0.0 ) THEN\n BLNC = ( CONDIS + SUM( SA_INCLOUD( : ) ) ) / MAX( SUM( SA_INCLOUD( : ) ), CONCMINL( C_SO4J,LAY ) )\n DO ITAG = 1, NTAG_SA\n IF ( SA_INCLOUD( ITAG ) .GT. 0.0 ) THEN\n SA_INCLOUD( ITAG ) = BLNC * SA_INCLOUD( ITAG )\n END IF\n END DO\n END IF\n\n DO ITAG = 1, NTAG_SA\n OUTCLOUD = SA_PCLD( S_SO4J,LAY,ITAG )\n ISAM( COL,ROW,LAY,S_SO4J,ITAG ) = FRAC * SA_INCLOUD( ITAG )\n & + ( 1.0 - FRAC ) * OUTCLOUD\n ISAM( COL,ROW,LAY,S_SO4J,ITAG ) = MAX( ISAM( COL,ROW,LAY,S_SO4J,ITAG ), 1.0E-30 )\n END DO\n\n END IF\n\n IF (S_AORGCJ .NE. 0 ) THEN ! AORGCJ case\n\n CONDIS = 0.0\n DO ITAG = 1, NTAG_SA\n SA_INCLOUD( ITAG ) = PCLD( C_AORGCJ,LAY ) * ( SA_CEND( S_AORGCJ,ITAG ) \n & / MAX( POLC( C_AORGCJ ), CONCMINL( C_AORGCJ,LAY ) ) )\n & - ( PCLD( C_AORGCJ,LAY ) * CEND( C_AORGCJ ) / MAX( POLC( C_AORGCJ ), CONCMINL( C_AORGCJ,LAY ) ) )\n & * SA_POLC( S_AORGCJ,ITAG ) / MAX( POLC( C_AORGCJ ), CONCMINL( C_AORGCJ,LAY ) )\n & + SA_PCLD( S_AORGCJ,LAY,ITAG ) * CEND( C_AORGCJ ) / MAX( POLC( C_AORGCJ ), CONCMINL( C_AORGCJ,LAY ) )\n IF ( SA_INCLOUD( ITAG ) .LT. 0.0 ) THEN\n CONDIS = CONDIS + SA_INCLOUD( ITAG )\n SA_INCLOUD( ITAG ) = 0.0\n END IF\n END DO\n\n IF ( CONDIS .NE. 0.0 ) THEN\n BLNC = ( CONDIS + SUM( SA_INCLOUD( : ) ) ) / MAX( SUM( SA_INCLOUD( : ) ), CONCMINL( C_AORGCJ,LAY ) )\n DO ITAG = 1, NTAG_SA\n IF ( SA_INCLOUD( ITAG ) .GT. 0.0 ) THEN\n SA_INCLOUD( ITAG ) = BLNC * SA_INCLOUD( ITAG )\n END IF\n END DO\n END IF\n\n DO ITAG = 1, NTAG_SA\n INCLOUD = SA_PCLD( S_AORGCJ,LAY,ITAG ) * SA_CEND( S_AORGCJ,ITAG )\n & / MAX( SA_POLC( S_AORGCJ,ITAG ), CONCMINL( SPC,LAY ) )\nc INCLOUD = MAX( INCLOUD, CONCMINL( C_AORGCJ,LAY ) )\n OUTCLOUD = SA_PCLD( S_AORGCJ,LAY,ITAG )\n ISAM( COL,ROW,LAY,S_AORGCJ,ITAG ) = FRAC * SA_INCLOUD( ITAG )\n & + ( 1.0 - FRAC ) * OUTCLOUD\n ISAM( COL,ROW,LAY,S_AORGCJ,ITAG ) = MAX( ISAM( COL,ROW,LAY,S_AORGCJ,ITAG ), 1.0E-30 )\n END DO\n\n END IF\n\n#endif\n END DO\n ELSE\n DO LAY = 1, CLBASE - 1\n DO SPC = 1, NSPCSD\n CGRD( COL,ROW,LAY,SPC ) = PCLD( SPC,LAY )\n#ifdef sens\n DO NP = 1, NPMAX\n SENGRID( COL, ROW, LAY, NP, SPC ) = REAL ( S_PCLD( NP, SPC, LAY ), 4 )\n END DO\n#endif \n END DO\n#ifdef isam\n DO SPC = 1, NSPC_SA\nc IF (PCLD( MAP_SAtoCGR(SPC),LAY ) .GT. 1.0E-09) THEN\n DO ITAG = 1, NTAG_SA\n ISAM( COL,ROW,LAY,SPC,ITAG ) = SA_PCLD( SPC, LAY, ITAG )\n END DO\nc END IF\n END DO\n#endif\n END DO\n END IF\n\nC...Now do changes in cloudy layers:\n\n DO LAY = CLBASE, CLTOP\n DO SPC = 1, NSPCSD\n IF ( SPC .NE. N_GC_SPCD ) THEN\n INCLOUD = PCLD( SPC,LAY ) * CEND( SPC )\n & / MAX( POLC( SPC ), CONCMINL( SPC,LAY ) )\n\n IF ( STM ) THEN\n IF ( SPC .NE. SURCLDMX( SPC ) ) THEN ! use its surrogate\n IF ( POLC( SURCLDMX( SPC ) ) .GT. 0.0 ) THEN\n INCLOUD = PCLD( SURCLDMX( SPC ),LAY ) * CEND( SPC )\n & / MAX( POLC( SURCLDMX( SPC ) ), CONCMINL( SURCLDMX( SPC ),LAY ) )\n ELSE\n INCLOUD = CEND( SPC )\n END IF\n END IF\n END IF ! stm\n\n OUTCLOUD = ( CCR( SPC,LAY ) - FRAC * PCLD( SPC,LAY ) )\n & / ( 1.0 - FRAC )\n OUTCLOUD = MAX( OUTCLOUD, CONCMINL( SPC,LAY ) )\n CGRD( COL,ROW,LAY,SPC ) = FRAC * INCLOUD \n & + ( 1.0 - FRAC ) * OUTCLOUD\n#ifdef sens\n DO NP = 1, NPMAX\n IF( ABS( S_POLC( NP, SPC ) ) .LT. DDM3D_CONCMINL ) THEN\n S_INCLOUD( NP, SPC, LAY ) = 0.0D0\n ELSE\n S_INCLOUD( NP, SPC, LAY ) = S_PCLD( NP,SPC,LAY ) * S_CEND( NP,SPC )\n & / S_POLC( NP, SPC )\n END IF\n S_OUTCLOUD( NP, SPC, LAY ) = ( S_CCR( NP, SPC, LAY ) - S_PCLD( NP, SPC,LAY ) * REAL( FRAC, 8 ) )\n & / ( 1.0D0 - REAL ( FRAC, 8 ) )\n IF ( OUTCLOUD .EQ. CONCMINL( SPC, LAY ) ) THEN\n S_OUTCLOUD( NP, SPC, LAY ) = 0.0D0\n END IF\n SENGRID( COL, ROW, LAY, NP, SPC ) =\n & S_INCLOUD ( NP, SPC, LAY ) * FRAC\n & + S_OUTCLOUD( NP, SPC, LAY ) * ( 1.0 - FRAC )\n END DO\n#endif\n END IF\n END DO\n#ifdef isam\n DO SPC = 1, NSPC_SA ! general case\n CSPC = MAP_SAtoCGR(SPC)\nc IF (CEND( MAP_SAtoCGR(SPC) ) .GT. 1.0E-09) THEN\n DO ITAG = 1, NTAG_SA\n INCLOUD = SA_PCLD( SPC,LAY,ITAG ) * ( SA_CEND( SPC,ITAG )\n & / MAX( SA_POLC( SPC,ITAG ), CONCMINL( CSPC,LAY ) ) )\n\n OUTCLOUD = ( SA_CCR( SPC,LAY,ITAG ) - FRAC * SA_PCLD( SPC,LAY,ITAG ) )\n & / ( 1.0 - FRAC )\n\n OUTCLOUD = MAX( OUTCLOUD, CONCMINL( CSPC,LAY ) )\n ISAM( COL,ROW,LAY,SPC,ITAG ) = FRAC * INCLOUD\n & + ( 1.0 - FRAC ) * OUTCLOUD\n END DO\nc END IF\n END DO\n\n IF (S_SO4J .NE. 0 ) THEN ! sulfate case\n DO ITAG = 1, NTAG_SA\n\n INCLOUD = PCLD( C_SO4J,LAY ) * SA_CEND( S_SO4J,ITAG ) / MAX( POLC( C_SO4J ), CONCMINL( C_SO4J,LAY ) )\n & - ( PCLD( C_SO4J,LAY ) * CEND( C_SO4J ) / MAX( POLC( C_SO4J ), CONCMINL( C_SO4J,LAY ) ) )\n & * SA_POLC( S_SO4J,ITAG ) / MAX( POLC( C_SO4J ), CONCMINL( C_SO4J,LAY ) ) \n & + SA_PCLD( S_SO4J,LAY,ITAG ) * CEND( C_SO4J ) / MAX( POLC( C_SO4J ), CONCMINL( C_SO4J,LAY ) )\n INCLOUD = MAX( INCLOUD, CONCMINL( C_SO4J,LAY ) )\n\n OUTCLOUD = ( SA_CCR( S_SO4J,LAY,ITAG ) - FRAC * SA_PCLD( S_SO4J,LAY,ITAG ) )\n & / ( 1.0 - FRAC )\n OUTCLOUD = MAX( OUTCLOUD, CONCMINL( CSPC,LAY ) )\n\n ISAM( COL,ROW,LAY,S_SO4J,ITAG ) = FRAC * INCLOUD\n & + ( 1.0 - FRAC ) * OUTCLOUD\n END DO\n END IF\n\n\n IF (S_AORGCJ .NE. 0 ) THEN ! AORGCJ case\n DO ITAG = 1, NTAG_SA\n INCLOUD = PCLD( C_AORGCJ,LAY ) * SA_CEND( S_AORGCJ,ITAG ) / MAX( POLC( C_AORGCJ ), CONCMINL( C_AORGCJ,LAY ) )\n & - ( PCLD( C_AORGCJ,LAY ) * CEND( C_AORGCJ ) / MAX( POLC( C_AORGCJ ), CONCMINL( C_AORGCJ,LAY ) ) )\n & * SA_POLC( S_AORGCJ,ITAG ) / MAX( POLC( C_AORGCJ ), CONCMINL( C_AORGCJ,LAY ) ) \n & + SA_PCLD( S_AORGCJ,LAY,ITAG ) * CEND( C_AORGCJ ) / MAX( POLC( C_AORGCJ ), CONCMINL( C_AORGCJ,LAY ) )\n\n INCLOUD = SA_PCLD( S_AORGCJ,LAY,ITAG ) * SA_CEND( S_AORGCJ,ITAG )\n & / MAX( SA_POLC( S_AORGCJ,ITAG ), CONCMINL( SPC,LAY ) )\nc INCLOUD = MAX( INCLOUD, CONCMINL( C_AORGCJ,LAY ) )\n\n OUTCLOUD = ( SA_CCR( S_AORGCJ,LAY,ITAG ) - FRAC * SA_PCLD( S_AORGCJ,LAY,ITAG ) )\n & / ( 1.0 - FRAC )\n OUTCLOUD = MAX( OUTCLOUD, CONCMINL( CSPC,LAY ) )\n\n ISAM( COL,ROW,LAY,S_AORGCJ,ITAG ) = FRAC * INCLOUD\n & + ( 1.0 - FRAC ) * OUTCLOUD\n\n END DO\n END IF\n#endif\n END DO\n\n END DO ! end loop on columns COL\n END DO ! end loop on rows ROW\n\n RETURN ! from main routine CLDPROC\n\n91010 FORMAT( 3( A, :, I3, : ) )\n\n END\n" }, { "path": "CCTM/src/cloud/acm_ae6/getalpha.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE GETALPHA ( NUMI, MASSI, SURFI,\n & LWC, T, P, RHOAIR, ALFA0, ALFA2, ALFA3 )\n\nC-----------------------------------------------------------------------\nC Description:\nC Calculate the in-cloud scavenging coefficients for number (alfa0),\nC surface area (alfa2) and mass (alfa3). This code combines the RPM\nC codes getcld.f, and pandkcd.f\n \nC Revision History:\nC Date Who What\nC -------- ------------------------- -------------------------------\nC 12/16/97 Dr. Francis S. Binkowski. Coded\nC 12/22/97 S.Roselle Revised to comply with M3 Coding\nC standards\nC 02/10/99 Binkowski Added provision for 2nd moment\nC and variable geometric\nC standard deviation\nC 09/25/00 S.Roselle Modified to enable backwards\nC compatibility with aerosol\nC model version 1\nC 08/23/2005 Binkowski Changed check on MASSI to\nC be 1.0e-6 [ug/M**3] rather than\nC to avoid difficulties causing NAN's\nC as found by Bonyoung Koo\nC I have also commented out some lines \nC code that are unnecessary in this \nC implementation\nC-----------------------------------------------------------------------\n\n USE AERO_DATA\n\n IMPLICIT NONE\n\n INCLUDE SUBST_CONST ! PI, RGASUNIV, AVO, GRAV\n\nC...........Parameters:\n\n REAL, PARAMETER :: SIGC = 1.2 ! geometric standard deviation for cloud droplets\n\n REAL, PARAMETER :: P0 = 101325.0 ! Standard pressure [ Pa ]\n\n REAL, PARAMETER :: T0 = 288.0\n\n REAL, PARAMETER :: ONE3 = 1.0 / 3.0\n\n REAL, PARAMETER :: TWO3 = 2.0 / 3.0\n\n REAL, PARAMETER :: KBOLTZ = RGASUNIV / AVO ! 1.38065E-23 [ J/K ]\n\n REAL, PARAMETER :: RHOPART = 1.0E3 ! particle density [ kg/ m**3 ]\n\n!sjr REAL, PARAMETER :: AERCONST = 6.0E-9 / ( RHOPART * PI / 6.0 )\n REAL, PARAMETER :: AERCONST = 1.0E-9 / ( RHOPART * PI / 6.0 )\n\n REAL, PARAMETER :: RHO_WATER = 1.0E3 ! density of water at 20 C & 1 ATM [ kg/m**3 ]\n\nC...........Arguments:\n\n REAL NUMI ! total number concentration for the Aitken mode [ #/m**3 ]\n REAL MASSI ! total mass concentration in AItken mode [ ug/m**3 ]\n REAL SURFI ! total surface area in Aitken mode [ m**2 / m**3 ]\n REAL LWC ! cloud liquid water content [ kg/m**3 ]\n REAL T ! average cloud temperature [ K ]\n REAL P ! average cloud pressure [ Pa ]\n REAL RHOAIR ! average cloud density [ kg/m**3 ]\n REAL ALFA0 ! scavenging coefficient for number [ 1/s ]\n REAL ALFA2 ! scavenging coefficient for surface area [ 1/s ]\n REAL ALFA3 ! scavenging coefficient for mass [ 1/s ]\n\nC...........Local Variables (scalars):\n\n REAL DGNI ! geometric mean diameter for AItken mode [ m ]\n REAL L2SGI ! square of the log of the\n ! Aitken mode geometric standard deviation\n! REAL XXFN ! fraction for computing L2SGI\n\nc *** ranges for acceptable values of LOG( sigma_g).\n\n REAL, SAVE :: MINL2SG ! minimum value of L2SG\n REAL, SAVE :: MAXL2SG ! maximum value of L2SG\n REAL, SAVE :: DEFL2SG ! default value of L2SG if no surface area\n\n REAL NC ! total cloud droplet number concentration [ #/m**3 ]\n REAL DGC ! geometric mean diameter for cloud droplet [ m ]\n REAL ESG4 ! exp(0.5 * L2SGI )\n REAL ESG16 ! exp(2.0 * L2SGI )\n REAL ESG36 ! exp(4.5 * L2SGI )\n REAL DG2 ! square of geometic mean diameter\n REAL AMM2 ! -2nd moment of the Aitken mode distribution\n REAL AMM1 ! -1st moment of the Aitken mode distribution\n REAL AM1 ! 1st moment of the Aitken mode distribution\n REAL AM0 ! alternative name for Aitken mode number [ #/m**3]\n REAL AM2 ! 2nd moment of the Aitken mode distribution\n REAL AM3 ! 3rd moment of the Aitken mode distribution\n REAL M0C ! moments of the cloud droplet distribution\n REAL M1C ! moments of the cloud droplet distribution\n REAL M2C ! moments of the cloud droplet distribution\n\n REAL LSGC, LSGC2 ! log and square of log of SIGC\n REAL, SAVE :: ESGC4 !\n REAL, SAVE :: ESGC16 !\n\n REAL COEF !\n !REAL DIFF0 ! aerosol diffusivities\n !REAL DIFF2 ! aerosol diffusivities\n REAL DIFF3 ! aerosol diffusivities\n !REAL PE0 ! Peclet numbers\n !REAL PE2 ! Peclet numers\n REAL PE3 ! Peclet numbers\n REAL COEF2 !\n REAL COEF3 !\n REAL COEF4 !\n REAL VSETTL ! settling velocity for cloud drops\n REAL LAMDA ! mean free path of air [ m ]\n REAL MU ! dynamic viscosity [ kg/(m*s) ]\n REAL NU ! kinematic viscosity [ m**2/s ]\n\n REAL CUBRT ! cube root\n REAL XX ! dummy arguement for cube root\n\n REAL, SAVE :: CLCONST !\n\n LOGICAL, SAVE :: FIRSTIME = .TRUE. ! flag for first pass thru\n\nC...........Statement Functions:\n\n CUBRT( XX ) = EXP( ONE3 * LOG( XX ) )\n\nC-----------------------------------------------------------------------\nC begin body of subroutine GETALPHA\n\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n\nC...compute special variables for moments\nC... of cloud droplet distribution\n\n LSGC = LOG( SIGC )\n LSGC2 = LSGC * LSGC\n ESGC4 = EXP( 0.5 * LSGC2 )\n ESGC16 = EXP( 2.0 * LSGC2 )\n\nC...compute constant for obtaining dgc\n\n CLCONST = 6.0 / ( RHO_WATER * PI * EXP( 4.5 * LOG( SIGC ) ** 2 ) )\n\n MINL2SG = LOG( MIN_SIGMA_G ) ** 2.0 ! minimum sigma_g = 1.05 (2.380480e-3)\n MAXL2SG = LOG( MAX_SIGMA_G ) ** 2.0 ! maximum sigma_g = 2.5 (8.395887e-1)\n DEFL2SG = LOG( DEF_SIGMA_G( 1 ) ) ** 2.0 ! default sigma_g = 1.7 (2.815663e-1)\n\n END IF ! check on firstime\n\nC...check to make sure that there is aerosol mass and number before\nC... proceeding, if not set alphas to zero\n\n!cc FSB IF ( ( NUMI .LE. 0.0 ) .OR. ( MASSI .LE. 0.0 ) .OR.\n!cc FSB & ( LWC .LE. 0.0 ) ) THEN\n\nC FSB mass check changed to be 1.0e-6 [ug/m**3] - 08/23/2005\nC to avoid AM3 becomming too small. With this change\nC AM3 is no smaller than 1.0e-18\n\n IF ( ( NUMI .LE. 0.0 ) .OR. ( MASSI .LE. 1.0e-6 ) .OR.\n & ( LWC .LE. 0.0 ) ) THEN\n!cc & ( SURFI .LE. 0.0 ) .OR. ( LWC .LE. 0.0 ) ) THEN\n ALFA0 = 0.0\n ALFA2 = 0.0\n ALFA3 = 0.0\n RETURN\n END IF\n\nC...get cloud characteristics\nC... reference: Bower, K.N. and T.W. Choularton, 1992,\nC... \" A parameterisation of the effective radius of ice\nC... free clouds for use in global climate models\"\nC... Atmospheric Research, 27, 305-339, figures 10 & 11.\nC...\nC... data in Bower & Choularton fit with quadratic function\nC... for droplet number as a function of lwc\n\nC...calculate the total number concentration of cloud droplets.\n\n IF ( LWC .LE. 3.0E-3 ) THEN\n NC = 4.80E11 * LWC - 8.0E13 * LWC * LWC\n ELSE\n NC = 7.20E8\n END IF\n\nC...calculate dgc\n\n DGC = CUBRT( CLCONST * LWC / NC )\n\nC...get m0c cloud droplet number and 1st and 2nd moments\nC... of cloud droplet distribution\n\n M0C = NC\n M1C = M0C * DGC * ESGC4\n M2C = M0C * DGC * DGC * ESGC16\n\nC...set values for the 0th and 3rd moments\n\n AM3 = AERCONST * MASSI\n AM0 = NUMI\n\nC...Check to see if surface area exists and process accordingly\n\n IF ( SURFI .GT. 0.0 ) THEN\n\nC...set the 2nd moment value\n\n AM2 = SURFI / PI\n\nC...get square of the log of the geometric standard deviation L2SGI\nC... The following method is much more robust, even if it uses three log calls.\n\n L2SGI = ONE3 * LOG( AM0 ) +\n & TWO3 * LOG( AM3 ) -\n & LOG( AM2 )\n\n L2SGI = MAX( MINL2SG, L2SGI )\n L2SGI = MIN( MAXL2SG, L2SGI )\n\n ELSE\n\nC...set the standard deviation to a fixed value (e.g. 1.7)\n\n L2SGI = DEFL2SG\n\nC...calculate the 2nd moment based on the fixed standard deviation\n\n AM2 = EXP( TWO3 * LOG( AM3 ) +\n & ONE3 * LOG( AM0 ) -\n & L2SGI )\n\n END IF\n\nC...compute special variables for moments\nC... of Aitken mode distribution\n\n ESG4 = EXP( 0.5 * L2SGI )\n ESG16 = EXP( 2.0 * L2SGI )\n ESG36 = ESG4 * ESG16 * ESG16\n\nC...calculate dgni from numi and m3i\n\n DGNI = CUBRT( AM3 / ( AM0 * ESG36 ) )\n DG2 = DGNI * DGNI\n\nC...now get other aerosol moments\n\n AMM2 = AM0 * ESG16 / DG2\n AMM1 = AM0 * ESG4 / DGNI\n AM1 = AM0 * DGNI * ESG4\n\nC...calculate:\nC... lamda mean free path of air [ m ]\nC... mu dynamic viscosity [ kg/(m*s) ]\nC... nu kinematic viscosity [ m**2/s ]\n\n MU = 1.458E-6 * T * SQRT( T ) / ( T + 110.4 )\n LAMDA = 6.6328E-8 * ( P0 / P ) * ( T / T0 )\n NU = MU / RHOAIR\n\nC...implement Pruppacher and Klett method for scavenging coefficients\nC... calculates scavenging coefficients for number and mass\nC... of interstitial aerosol with a variable sigma_g.\nC... this method uses Brownian diffusion with convective enhancement.\nC... reference:\nC... Pruppacher & Klett \"Microphysics of Clouds & Precipitation\"\nC... pp 380 - 384, 1978, D. Reidel\n\n COEF = KBOLTZ * ( T / ( 3.0 * PI * MU ) )\n\nC...get aerosol diffusivities\n\n!cc FSB these values are not used\n!cc DIFF0 = COEF * ( AMM1 + 2.492 * LAMDA * AMM2 ) / AM0\n!cc DIFF2 = COEF * ( AM1 + 2.492 * LAMDA * AM0 ) / AM2\n DIFF3 = COEF * ( ( AM2 + 2.492 * LAMDA * AM1 ) / AM3 )\n\nC...set up coefficient coef2 for settling velocity of cloud drops\n\n COEF2 = ( GRAV / ( 18.0 * NU ) ) * ( RHOPART / RHOAIR )\n\nC...get settling velocity for cloud drops\n\n VSETTL = COEF2 * M2C / M0C\n\nC...set up for Peclet numbers\n\n COEF3 = VSETTL * DGC\n\nC...calculate Peclet numbers\n\n!cc FSB because these Peclet numbers are not used, I have commented \n!cc these lines of code - Binkowski 08/23/2005\n!cc PE0 = COEF3 / DIFF0\n!cc PE2 = COEF3 / DIFF2\n PE3 = COEF3 / DIFF3\n\nC...now get in-cloud scavenging coefficients\nC... including convective enhancement\n\n COEF4 = 2.0 * PI * M1C\n\n!cc FSB use a common value, that for 3rd moment.\n!cc\n!cc ALFA0 = COEF4 * DIFF0 * ( 1.0 + 0.5 * CUBRT( PE0 ) )\n!cc ALFA2 = COEF4 * DIFF2 * ( 1.0 + 0.5 * CUBRT( PE2 ) )\n ALFA3 = COEF4 * DIFF3 * ( 1.0 + 0.5 * CUBRT( PE3 ) )\n ALFA0 = ALFA3\n ALFA2 = ALFA3\n\n RETURN\n END\n" }, { "path": "CCTM/src/cloud/acm_ae6/hlconst.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n REAL FUNCTION HLCONST ( CNAME, TEMP, EFFECTIVE, HPLUS )\n\nC-----------------------------------------------------------------------\nC\nC FUNCTION: return the Henry's law constant for the specified substance\nC at the given temperature\nC\nC References:\nC\nC 1. Nguyen, T. B., Coggon, M. M., Bates, K. H., Zhang, X., Schwantes,\nC R. H., Schilling, K. A., Loza, C. L., Flagan, R. C., Wennberg, P. O.,\nC and Seinfeld, J. H.: Organic aerosol formation from the reactive\nC uptake of isoprene epoxydiols (IEPOX) onto non-acidified inorganic\nC seeds, Atmos. Chem. Phys., 14, 3497-3510,\nC doi:10.5194/acp-14-3497-2014, 2014.\nC \nC revision history:\nC who when what\nC --------- -------- -------------------------------------\nC S.Roselle 08/15/97 code written for Models-3\nC J.Gipson 06/18/01 added Henry's Law constants 50-55 for saprc99\nC W.Hutzell 07/03/01 added Henry's Law constants 56-57 for Atrazine\nC and the daughter products from Atrazine and OH\nC reactions.\nC J.Gipson. 09/06/02 added Henry's Law constants 59-73 for toxics\nC S.Roselle 11/07/02 added capability for calculating the effective\nC Henry's law constant and updated coefficients\nC in Henry's law constant table\nC J.Gipson 08/06/03 added Henry's Law constants 77-79\nC G.Sarwar 11/21/04 added constants for chlorine chemistry (Henry's\nC law constants 80-85 and dissociation constants\nC 14-16\nC R.Bullock 07/05/05 added Henry's Law constants 86-87 for mercury \nC with enthalpy calculated from cited laboratory \nC data fit to an Arrhenius equation\nC W.Hutzell 02/14/06 added HLC 88 to 116, dissociation constant for\nC 17 (hydrazine)\nC A.Carlton 09/20/06 updated Henry's Law constants for 1,7,19,20,21,30 \nC O3, NO3, hexane, octane, nonane, methanol and\nC isoprene reference\nC S.Roselle 10/10/07 changed pointers to parameters; reformatted\nC variable declarations\nC W.Hutzell 03/07/08 added Henry's Law constants for 117 to 120\nC W.Hutzell 01/01/09 added Henry's Law constants for 121 to 125 for\nC for SAPRC07T mechanism \nC Y.Xie 6/11/10 added Henry's Law constants for 126 to 130 for \nC isoprene chemistry in SAPRC07 \nC S.Roselle 03/01/11 replaced I/O API include files with UTILIO_DEFN;\nC removed deprecated TRIMLEN\nC W.Hutzell 08/16/12 updated IOAPI and Henry Constant names to V5.01\nC standards\nC W.Hutzell 01/30/13 updated PHENOL, and add values for CATECHOL and\nC XYLENOL\nC H.Pye 02/05/13 added Henry's Law 133-134 for IEPOX and IMAE\nC G.Sarwar 12/18/13 added Henry's Law constants for 135 to 140\nC W.Hutzell 07/11/14 correct error in DATA from last revision\nC D.Luecken 07/11/14 added 141 through 144 for nitrates\nC H.Pye 05/05/15 added monoterpene and isoprene nitrates\nC H.Pye 01/26/2016 added SOA SVOCs\nC G.Sarwar 03/24/15 added iodine and bromine species\nC H.Pye 05/31/16 updated IEPOX H-law from 2.7e6 to 3.0e7 M/atm\nC to reflect Nguyen et al. 2014.\nC W.Hutzell 09/16/16 1) removed HCHO dissociation because its henry's\nC constant already accounts for the effect.\nC 2) added henry's constant for compounds 194 thru\nC 199 representing several toxic air pollutants\nC \nC D. Luecken 09/21/2016 \nC 1. added HAPs in 194-200; \nC 2. modified existing HEXANE (19),N-HEXANE (117), and STYRENE (119); \nC 3. removed dissociation calculation for formaldedhyde because the listed value \nC is already an effective rate (Sander ACP, 2015, note 187)\nC 4. added dissociation constant for acrylic acid (LACRYACID) (via B. Hutzell)\nC H.Pye 06/2017 added semivolatile monoterpene products\nC G.Sarwar 08/2018 added Henry's Law constant for ClNO3, FMBR, IBR, and updated iodine and bromine species\nC G. Sarwar 11/2018 added Henry's Law constant for CLO\nC H.Pye 09/2021 added CRACMM emission weighted surrogates\nC-----------------------------------------------------------------------\n\n USE UTILIO_DEFN\n\n IMPLICIT NONE\n\nC...........ARGUMENTS and their descriptions\n\n CHARACTER*(*), INTENT ( IN ) :: CNAME ! name of substance\n REAL, INTENT ( IN ) :: TEMP ! temperature (K)\n LOGICAL, INTENT ( IN ) :: EFFECTIVE ! true=compute the effective henry's law constant\n REAL, INTENT ( IN ) :: HPLUS ! hydrogen ion concentration (mol/l)\n\nC...........INCLUDES and their descriptions\n\n\nC...........PARAMETERS and their descriptions:\n\n INTEGER, PARAMETER :: MXSPCS = 277 ! Number of substances\n INTEGER, PARAMETER :: MXDSPCS = 19 ! Number of dissociating species\n\nC...pointers for the dissociation constants (array B and D)\n\n INTEGER, PARAMETER :: LSO2 = 1 ! SO2\n INTEGER, PARAMETER :: LHSO3 = 2 ! HSO3\n INTEGER, PARAMETER :: LHNO2 = 3 ! HNO3\n INTEGER, PARAMETER :: LHNO3 = 4 ! HNO3\n INTEGER, PARAMETER :: LCO2 = 5 ! CO2\n INTEGER, PARAMETER :: LHCO3 = 6 ! HCO3\n INTEGER, PARAMETER :: LH2O2 = 7 ! H2O2\n INTEGER, PARAMETER :: LHCOOH = 8 ! HCOOH\n INTEGER, PARAMETER :: LHO2 = 9 ! HO2\n INTEGER, PARAMETER :: LNH4OH = 10 ! NH4OH\n INTEGER, PARAMETER :: LH2O = 11 ! H2O\n INTEGER, PARAMETER :: LATRA = 12 ! Atrazine\n INTEGER, PARAMETER :: LCL2 = 13 ! CL2\n INTEGER, PARAMETER :: LHOCL = 14 ! HOCL\n INTEGER, PARAMETER :: LHCL = 15 ! HCL\n INTEGER, PARAMETER :: LHYDRAZINE = 16 ! Hydrazine\n INTEGER, PARAMETER :: LHBR = 17 ! HBR\n INTEGER, PARAMETER :: LHI = 18 ! HI\n INTEGER, PARAMETER :: LACRYACID = 19 ! CCH3COOH\n\n\nC...........SCRATCH LOCAL VARIABLES and their descriptions:\n\n CHARACTER( 16 ), SAVE :: PNAME = 'HLCONST' ! program name\n CHARACTER( 16 ), SAVE :: SUBNAME( MXSPCS ) ! list of substance names\n\n CHARACTER( 120 ) :: XMSG = ' ' ! exit status message string\n\n INTEGER S ! loop index\n INTEGER SPC ! species index\n\n REAL HPLUSI ! 1 / HPLUS\n REAL HPLUS2I ! 1 / HPLUS**2\n REAL CLMINUS ! chlorine ion conc [CL-]\n REAL CLMINUSI ! 1 / CLMINUS\n REAL TFAC ! (298-T)/(T*298)\n REAL AKEQ1 ! temp var for dissociation constant\n REAL AKEQ2 ! temp var for dissociation constant\n REAL OHION ! OH ion concentration\n REAL KH ! temp var for henry's law constant\n\nC...Henry's law constant data taken mostly from Rolf Sanders' Compilation of\nC... Henry's Law Constants for Inorganic and Organic Species of Potential\nC... Importance in Environment Chemistry 1999\n\n REAL, SAVE :: A( MXSPCS ) ! Henry's law constants at 298.15K (M/atm)\n REAL, SAVE :: E( MXSPCS ) ! enthalpy (like activation energy) (K)\n\nC...dissociation constant data taken mostly from 6.A.1 of Seinfeld and Pandis\nC... Atmospheric Chemistry and Physics, 1997\n\n REAL, SAVE :: B( MXDSPCS ) ! dissociation constant at 298.15K (M or M2)\n REAL, SAVE :: D( MXDSPCS ) ! -dH/R (K)\n\n DATA SUBNAME( 1), A( 1), E( 1) / 'O3 ', 1.14E-02, 2.3E+03 / ! Kosak 1983\n DATA SUBNAME( 2), A( 2), E( 2) / 'HO2 ', 4.0E+03, 5.9E+03 / ! Hanson et al. 1992\n DATA SUBNAME( 3), A( 3), E( 3) / 'H2O2 ', 1.1E+05, 7.4E+03 / ! E: O'Sullivan et al. 1996, A: Sander 1999 as used in Nguyen et al. 2015 PNAS\n DATA SUBNAME( 4), A( 4), E( 4) / 'NH3 ', 6.1E+01, 4.2E+03 / ! Clegg and Brimblecombe 1989\n DATA SUBNAME( 5), A( 5), E( 5) / 'NO ', 1.9E-03, 1.4E+03 / ! Lide and Frederikse 1995\n DATA SUBNAME( 6), A( 6), E( 6) / 'NO2 ', 1.2E-02, 2.5E+03 / ! Chameides 1984\n DATA SUBNAME( 7), A( 7), E( 7) / 'NO3 ', 0.6E+00, 0.0E+00 / ! Rudich, Talukdar et al.1996\n DATA SUBNAME( 8), A( 8), E( 8) / 'N2O5 ', 1.0E+30, 0.0E+00 / ! \"inf\" Sander and Crutzen 1996\n DATA SUBNAME( 9), A( 9), E( 9) / 'HNO2 ', 5.0E+01, 4.9E+03 / ! Becker et al. 1996\n DATA SUBNAME( 10), A( 10), E( 10) / 'HNO3 ', 2.1E+05, 8.7E+03 / ! Leieveld and Crutzen 1991\n DATA SUBNAME( 11), A( 11), E( 11) / 'HNO4 ', 1.2E+04, 6.9E+03 / ! Regimbal and Mozurkewich 1997\n DATA SUBNAME( 12), A( 12), E( 12) / 'SO2 ', 1.4E+00, 2.9E+03 / ! Linde and Frederikse 1995\n DATA SUBNAME( 13), A( 13), E( 13) / 'H2SO4 ', 1.0E+30, 0.0E+00 / ! infinity\n DATA SUBNAME( 14), A( 14), E( 14) / 'METHANE ', 1.4E-03, 1.6E+03 / ! Linde and Frederikse 1995\n DATA SUBNAME( 15), A( 15), E( 15) / 'ETHANE ', 1.9E-03, 2.3E+03 / ! Linde and Frederikse 1995\n DATA SUBNAME( 16), A( 16), E( 16) / 'PROPANE ', 1.5E-03, 2.7E+03 / ! Linde and Frederikse 1995\n DATA SUBNAME( 17), A( 17), E( 17) / 'BUTANE ', 1.1E-03, 0.0E+00 / ! Mackay and Shiu 1981\n DATA SUBNAME( 18), A( 18), E( 18) / 'PENTANE ', 8.1E-04, 0.0E+00 / ! Mackay and Shiu 1981\n DATA SUBNAME( 19), A( 19), E( 19) / 'HEXANE ', 6.18E-04,3.8E+03 / ! Sander, ACP, 2015; Abraham Matteoli (1988)\n DATA SUBNAME( 20), A( 20), E( 20) / 'OCTANE ', 2.9E-03, 7.8E+03 / ! Hansen et al. 1993\n DATA SUBNAME( 21), A( 21), E( 21) / 'NONANE ', 2.4E-03, 2.1E+02 / ! Ashworth, Howe et al 1988\n DATA SUBNAME( 22), A( 22), E( 22) / 'DECANE ', 1.4E-04, 0.0E+00 / ! Mackay and Shiu 1981\n DATA SUBNAME( 23), A( 23), E( 23) / 'ETHENE ', 4.7E-03, 0.0E+00 / ! Mackay and Shiu 1981\n DATA SUBNAME( 24), A( 24), E( 24) / 'PROPENE ', 4.8E-03, 0.0E+00 / ! Mackay and Shiu 1981\n DATA SUBNAME( 25), A( 25), E( 25) / 'ISOPRENE ', 2.8E-02, 0.0E+00 / ! Karl, Lindinger et al 2003\n DATA SUBNAME( 26), A( 26), E( 26) / 'ACETYLENE ', 4.1E-02, 1.8E+03 / ! Wilhelm et al. 1977\n DATA SUBNAME( 27), A( 27), E( 27) / 'BENZENE ', 1.6E-01, 4.1E+03 / ! Staudinger and Roberts 1996\n DATA SUBNAME( 28), A( 28), E( 28) / 'TOLUENE ', 1.5E-01, 4.0E+03 / ! Staudinger and Roberts 1996\n DATA SUBNAME( 29), A( 29), E( 29) / 'O-XYLENE ', 1.9E-01, 4.0E+03 / ! Staudinger and Roberts 1996\n DATA SUBNAME( 30), A( 30), E( 30) / 'METHANOL ', 2.2E+02, 5.2E+03 / ! Snider and Dawson 1985\n DATA SUBNAME( 31), A( 31), E( 31) / 'ETHANOL ', 1.9E+02, 6.6E+03 / ! Snider and Dawson 1985\n DATA SUBNAME( 32), A( 32), E( 32) / '2-CRESOL ', 8.2E+02, 0.0E+00 / ! Betterton 1992\n DATA SUBNAME( 33), A( 33), E( 33) / '4-CRESOL ', 1.3E+02, 0.0E+00 / ! Betterton 1992\n DATA SUBNAME( 34), A( 34), E( 34) / 'METHYLHYDROPEROX', 3.1E+02, 5.2E+03 / ! O'Sullivan et al. 1996\n DATA SUBNAME( 35), A( 35), E( 35) / 'FORMALDEHYDE ', 3.2E+03, 6.8E+03 / ! Staudinger and Roberts 1996\n DATA SUBNAME( 36), A( 36), E( 36) / 'ACETALDEHYDE ', 1.4E+01, 5.6E+03 / ! Staudinger and Roberts 1996\n DATA SUBNAME( 37), A( 37), E( 37) / 'GENERIC_ALDEHYDE', 4.2E+03, 0.0E+00 / ! Graedel and Goldberg 1983\n DATA SUBNAME( 38), A( 38), E( 38) / 'GLYOXAL ', 3.6E+05, 0.0E+00 / ! Zhou and Mopper 1990\n DATA SUBNAME( 39), A( 39), E( 39) / 'ACETONE ', 3.0E+01, 4.6E+03 / ! Staudinger and Roberts 1996\n DATA SUBNAME( 40), A( 40), E( 40) / 'FORMIC_ACID ', 8.9E+03, 6.1E+03 / ! Johnson et al. 1996\n DATA SUBNAME( 41), A( 41), E( 41) / 'ACETIC_ACID ', 4.1E+03, 6.3E+03 / ! Johnson et al. 1996\n DATA SUBNAME( 42), A( 42), E( 42) / 'METHYL_GLYOXAL ', 3.2E+04, 0.0E+00 / ! Zhou and Mopper 1990\n DATA SUBNAME( 43), A( 43), E( 43) / 'CO ', 9.9E-04, 1.3E+03 / ! Linde and Frederikse 1995\n DATA SUBNAME( 44), A( 44), E( 44) / 'CO2 ', 3.6E-02, 2.2E+03 / ! Zheng et al. 1997\n DATA SUBNAME( 45), A( 45), E( 45) / 'PAN ', 2.8E+00, 6.5E+03 / ! Kames et al. 1991\n DATA SUBNAME( 46), A( 46), E( 46) / 'MPAN ', 1.7E+00, 0.0E+00 / ! Kames and Schurath 1995\n DATA SUBNAME( 47), A( 47), E( 47) / 'OH ', 3.0E+01, 4.5E+03 / ! Hanson et al. 1992\n DATA SUBNAME( 48), A( 48), E( 48) / 'METHYLPEROXY_RAD', 2.0E+03, 6.6E+03 / ! Lelieveld and Crutzen 1991\n DATA SUBNAME( 49), A( 49), E( 49) / 'PEROXYACETIC_ACI', 8.4E+02, 5.3E+03 / ! O'Sullivan et al. 1996\n DATA SUBNAME( 50), A( 50), E( 50) / 'PROPANOIC_ACID ', 5.7E+03, 0.0E+00 / ! Kahn et al. 1995\n DATA SUBNAME( 51), A( 51), E( 51) / '2-NITROPHENOL ', 7.0E+01, 4.6E+03 / ! USEPA 1982\n DATA SUBNAME( 52), A( 52), E( 52) / 'PHENOL ', 3.3E+03, 3.6E+03 / ! Meylan and Howard (1991)\n DATA SUBNAME( 53), A( 53), E( 53) / 'BIACETYL ', 7.4E+01, 5.7E+03 / ! Betteron 1991\n DATA SUBNAME( 54), A( 54), E( 54) / 'BENZALDEHYDE ', 3.9E+01, 4.8E+03 / ! Staudinger and Roberts 1996\n DATA SUBNAME( 55), A( 55), E( 55) / 'PINENE ', 4.9E-02, 0.0E+00 / ! Karl and Lindinger 1997\n DATA SUBNAME( 56), A( 56), E( 56) / 'ATRA ', 4.1E+05, 6.0E+03 / ! CIBA Corp (1989) and Scholtz (1999)\n DATA SUBNAME( 57), A( 57), E( 57) / 'DATRA ', 4.1E+05, 6.0E+03 / ! assumed same as Atrazine\n DATA SUBNAME( 58), A( 58), E( 58) / 'ADIPIC_ACID ', 2.0E+08, 0.0E+00 / ! Saxena and Hildemann (1996)\n DATA SUBNAME( 59), A( 59), E( 59) / 'ACROLEIN ', 8.2E+00, 0.0E+00 / ! Meylan and Howard (1991)\n DATA SUBNAME( 60), A( 60), E( 60) / '13-BUTADIENE ', 1.4E-02, 0.0E+00 / ! Mackay and Shiu (1981)\n DATA SUBNAME( 61), A( 61), E( 61) / 'ACRYLONITRILE ', 7.3E+00, 0.0E+00 / ! Meylan and Howard (1991)\n DATA SUBNAME( 62), A( 62), E( 62) / 'CARBONTETRACHLOR', 3.4E-02, 4.2E+03 / ! Staudinger and Roberts (1996)\n DATA SUBNAME( 63), A( 63), E( 63) / 'PROPYLENE_DICHLO', 3.4E-01, 4.3E+03 / ! Staudinger and Roberts (1996)\n DATA SUBNAME( 64), A( 64), E( 64) / '13DICHLOROPROPEN', 6.5E-01, 4.2E+03 / ! Wright et al (1992b)\n DATA SUBNAME( 65), A( 65), E( 65) / '1122-CL4ETHANE ', 2.4E+00, 3.2E+03 / ! Staudinger and Roberts (1996)\n DATA SUBNAME( 66), A( 66), E( 66) / 'CHLOROFORM ', 2.5E-01, 4.5E+03 / ! Staudinger and Roberts (1996)\n DATA SUBNAME( 67), A( 67), E( 67) / '12DIBROMOETHANE ', 1.5E+00, 3.9E+03 / ! Ashworth et al (1988)\n DATA SUBNAME( 68), A( 68), E( 68) / '12DICHLOROETHANE', 7.3E-01, 4.2E+03 / ! Staudinger and Roberts (1996)\n DATA SUBNAME( 69), A( 69), E( 69) / 'METHYLENE_CHLORI', 3.6E-01, 4.1E+03 / ! Staudinger and Roberts (1996)\n DATA SUBNAME( 70), A( 70), E( 70) / 'PERCHLOROETHYLEN', 5.9E-02, 4.8E+03 / ! Staudinger and Roberts (1996)\n DATA SUBNAME( 71), A( 71), E( 71) / 'TRICHLOROETHENE ', 1.0E-01, 4.6E+03 / ! Staudinger and Roberts (1996)\n DATA SUBNAME( 72), A( 72), E( 72) / 'VINYL_CHLORIDE ', 3.9E-02, 3.1E+03 / ! Staudinger and Roberts (1996)\n DATA SUBNAME( 73), A( 73), E( 73) / 'ETHYLENE_OXIDE ', 8.4E+00, 0.0E+00 / ! CRC\n DATA SUBNAME( 74), A( 74), E( 74) / 'PPN ', 2.9E+00, 0.0E+00 / ! Kames and Schurath (1995)\n DATA SUBNAME( 75), A( 75), E( 75) / 'NAPHTHALENE ', 2.0E+00, 3.6E+03 / ! USEPA 1982\n DATA SUBNAME( 76), A( 76), E( 76) / 'QUINOLINE ', 3.7E+03, 5.4E+03 / ! USEPA 1982\n DATA SUBNAME( 77), A( 77), E( 77) / 'MEK ', 2.0E+01, 5.0E+03 / ! Zhou and Mopper 1990\n DATA SUBNAME( 78), A( 78), E( 78) / 'MVK ', 4.1E+01, 0.0E+00 / ! Iraci et al. 1998\n DATA SUBNAME( 79), A( 79), E( 79) / 'METHACROLEIN ', 6.5E+00, 0.0E+00 / ! Iraci et al. 1998\n DATA SUBNAME( 80), A( 80), E( 80) / 'CL2 ', 8.6E-02, 2.0E+03 / ! ROLF SANDERS COMPILATION (1999)/KAVANAUGH AND TRUSSELL (1980)\n DATA SUBNAME( 81), A( 81), E( 81) / 'HOCL ', 6.6E+02, 5.9E+03 / ! ROLF SANDERS COMPILATION (1999)/HUTHWELKER ET AL (1995)\n DATA SUBNAME( 82), A( 82), E( 82) / 'HCL ', 1.9E+01, 6.0E+02 / ! ROLF SANDERS COMPILATION (1999)/DEAN (1992)\n DATA SUBNAME( 83), A( 83), E( 83) / 'FMCL ', 1.1E+00, 0.0E+00 / ! EPA SUITE PROGRAM/UNIT CONVERTED TO MATCH THE DEFINITION BY ROLF SANDERS.\n DATA SUBNAME( 84), A( 84), E( 84) / 'ICL1 ', 6.9E+01, 0.0E+00 / ! EPA SUITE PROGRAM/UNIT CONVERTED TO MATCH THE DEFINITION BY ROLF SANDERS.\n DATA SUBNAME( 85), A( 85), E( 85) / 'ICL2 ', 6.9E+01, 0.0E+00 / ! EPA SUITE PROGRAM/ASSUMED EQUAL TO THAT OF ICL1\n DATA SUBNAME( 86), A( 86), E( 86) / 'HG ', 1.11E-01, 4.97E+03 /! Elemental Mercury from Clever et al. (1985)\n DATA SUBNAME( 87), A( 87), E( 87) / 'HGIIGAS ', 1.41E+06, 5.26E+03 /! Hg(II) gas as mercuric chloride from Lindqvist and Rodhe (1985)\n DATA SUBNAME( 88), A( 88), E( 88) / 'TECDD_2378 ', 5.1E+00, 3.6E+03 / ! Paasivirta et al. (1999)\n DATA SUBNAME( 89), A( 89), E( 89) / 'PECDD_12378 ', 4.6E+00, 3.2E+03 / ! Paasivirta et al. (1999)\n DATA SUBNAME( 90), A( 90), E( 90) / 'HXCDD_123478 ', 8.1E+00, 2.9E+03 / ! Paasivirta et al. (1999)\n DATA SUBNAME( 91), A( 91), E( 91) / 'HXCDD_123678 ', 2.9E+00, 2.8E+03 / ! Paasivirta et al. (1999)\n DATA SUBNAME( 92), A( 92), E( 92) / 'HXCDD_123789 ', 6.5E+00, 2.7E+03 / ! Paasivirta et al. (1999)\n DATA SUBNAME( 93), A( 93), E( 93) / 'HPCDD_1234678 ', 1.2E+01, 2.4E+03 / ! Paasivirta et al. (1999)\n DATA SUBNAME( 94), A( 94), E( 94) / 'OTCDD ', 9.8E+00, 2.3E+03 / ! Paasivirta et al. (1999)\n DATA SUBNAME( 95), A( 95), E( 95) / 'TECDF_2378 ', 8.5E+01, 3.7E+03 / ! Paasivirta et al. (1999)\n DATA SUBNAME( 96), A( 96), E( 96) / 'PECDF_12378 ', 5.2E+01, 2.9E+03 / ! Paasivirta et al. (1999)\n DATA SUBNAME( 97), A( 97), E( 97) / 'PECDF_23478 ', 1.8E+02, 3.0E+03 / ! Paasivirta et al. (1999)\n DATA SUBNAME( 98), A( 98), E( 98) / 'HXCDF_123478 ', 3.8E+01, 2.4E+03 / ! Paasivirta et al. (1999)\n DATA SUBNAME( 99), A( 99), E( 99) / 'HXCDF_123678 ', 9.0E+01, 2.9E+03 / ! Paasivirta et al. (1999)\n DATA SUBNAME(100), A(100), E(100) / 'HXCDF_234678 ', 1.0E+02, 2.6E+03 / ! Paasivirta et al. (1999)\n DATA SUBNAME(101), A(101), E(101) / 'HXCDF_123789 ', 5.6E+01, 2.6E+03 / ! Paasivirta et al. (1999)\n DATA SUBNAME(102), A(102), E(102) / 'HPCDF_1234678 ', 2.8E+01, 1.6E+03 / ! Paasivirta et al. (1999)\n DATA SUBNAME(103), A(103), E(103) / 'HPCDF_1234789 ', 8.0E+01, 2.1E+03 / ! Paasivirta et al. (1999)\n DATA SUBNAME(104), A(104), E(104) / 'OTCDF ', 7.6E+01, 2.4E+03 / ! Paasivirta et al. (1999)\n DATA SUBNAME(105), A(105), E(105) / 'NAPHTHOL ', 3.60E+03, 0.0E+00 / ! Eabraham et al. (1994)\n DATA SUBNAME(106), A(106), E(106) / '1NITRONAPHTHALEN', 5.68E+02, 0.0E+00 / ! Altschuh et al. (1999)\n DATA SUBNAME(107), A(107), E(107) / '2NITRONAPHTHALEN', 6.42E+02, 0.0E+00 / ! HENRYWIN v3.10 (Meylan and Howard, 1991)\n DATA SUBNAME(108), A(108), E(108) / '14NAPHTHOQUINONE', 5.08E+05, 0.0E+00 / ! HENRYWIN v3.10 (Meylan and Howard, 1991)\n DATA SUBNAME(109), A(109), E(109) / '24-TOLUENE_DIIS ', 7.25E+00, 0.0E+00 / ! HENRYWIN v3.10 (Meylan and Howard, 1991)\n DATA SUBNAME(110), A(110), E(110) / 'HEXAMETHYLE_DIIS', 2.08E+01, 0.0E+00 / ! HENRYWIN v3.10 (Meylan and Howard, 1991)\n DATA SUBNAME(111), A(111), E(111) / 'HYDRAZINE ', 1.14E+03, 0.0E+00 / ! Daubert and Danner (1989), and Amoore and Hautala (1983)\n DATA SUBNAME(112), A(112), E(112) / 'MALEIC_ANHYDRIDE', 2.54E+02, 0.0E+00 / ! HENRYWIN v3.10 (Meylan and Howard, 1991)\n DATA SUBNAME(113), A(113), E(113) / 'TRIETHYLAMINE ', 6.71E+00, 0.0E+00 / ! Yalkowsky and Dannenfelser (1992), and Riddick et al. (1986)\n DATA SUBNAME(114), A(114), E(114) / 'P_DICHLOROBENZEN', 2.38E+00, 0.0E+00 / ! MacKay and Shiu (1981), measured\n DATA SUBNAME(115), A(115), E(115) / 'M-XYLENE ', 1.43E-01, 3.9E+03 / ! Staudinger and Roberts (2001)\n DATA SUBNAME(116), A(116), E(116) / 'P-XYLENE ', 1.35E-01, 3.7E+03 / ! Staudinger and Roberts (2001)\n\n DATA SUBNAME(117), A(117), E(117) / 'N-HEXANE ', 6.18E-04, 3.8E+03 / ! Sander, ACP, 2015, Abraham Matteoli (1988)\n DATA SUBNAME(118), A(118), E(118) / 'PROPANAL ', 1.64E+00, 5.4E+03 / ! Staudinger and Roberts (2001)\n DATA SUBNAME(119), A(119), E(119) / 'STYRENE ', 2.74E-01, 0.0E+00 / ! Sander, ACP, 2015, Kim and Kim (2014)\n DATA SUBNAME(120), A(120), E(120) / '124TRIMETH_BENZE', 1.50E-01, 4.3E+03 / ! Hanson et al. (1995)\n DATA SUBNAME(121), A(121), E(121) / 'CHLOROACETALDEHY', 4.18E+01, 0.0E+00 / ! Bond Estimate by EPA SUITE PROGRAM (2007)\n DATA SUBNAME(122), A(122), E(122) / 'CHLOROACETONE ', 3.82E-01, 0.0E+00 / ! Staudinger and Roberts (2001)\n\n DATA SUBNAME(123), A(123), E(123) / 'NITROSYL_CHLORID', 5.10E-01, 0.0E+00 / ! Bond Estimate by EPA SUITE PROGRAM (2007)\n DATA SUBNAME(124), A(124), E(124) / 'NITRYL_CHLORIDE ', 2.43E-02, 0.0E+00 / ! Behnke et al. (1997), JGR, D102, 3795-3804\n DATA SUBNAME(125), A(125), E(125) / 'HEXYL_HYDROPEROX', 1.23E+01, 0.0E+00 / ! Bond Estimated by EPA SUITE PROGRAM (2007)\n\n DATA SUBNAME(126), A(126), E(126) / 'HYDROXY_NITRATES', 1.70E+04, 9.20E+03 / ! Shepson et al. (1996), Treves et al. (2000)\n DATA SUBNAME(127), A(127), E(127) / 'HYDROXY_PEROXIDE', 8.30E+04, 7.40E+03 / ! using value for H2O2\n DATA SUBNAME(128), A(128), E(128) / 'PROPNN ', 1.00E+04, 0.00E+00 / ! Nguyen et al. (2015) PNAS using Shepson (1996)\n DATA SUBNAME(129), A(129), E(129) / 'HACET ', 2.93E+03, 0.00E+00 / ! Spaulding et al. (2002)\n DATA SUBNAME(130), A(130), E(130) / 'PYRUVIC_ACID ', 3.00E+05, 5.20E+03 / ! Staudinger and Roberts (1996) \n DATA SUBNAME(131), A(131), E(131) / 'XYLENOL ', 1.05E+03, 0.00E+03 / ! experimental value from EPA SUITE PROGRAM (2008)\n DATA SUBNAME(132), A(132), E(132) / 'CATECHOL ', 3.16E+05, 0.00E+03 / ! experimental value from EPA SUITE PROGRAM (2008)\n DATA SUBNAME(133), A(133), E(133) / 'IEPOX ', 3.0E+07, 0.00E+00 / ! Nguyen et al. ACP (2014)\n DATA SUBNAME(134), A(134), E(134) / 'IMAE ', 1.2E+05, 0.00E+00 / ! Pye et al. ES&T (2013)\n\n DATA SUBNAME(135), A(135), E(135) / 'DIETHYLKETONE ', 2.00E+01, 9.2E+03 / ! ROLF SANDERS COMPILATION (1999)/JANINI AND QUADDORA (1986)\n DATA SUBNAME(136), A(136), E(136) / 'N-PROPANOL ', 1.10E+02, 0.0E+00 / ! ROLF SANDERS COMPILATION (1999)/YAWS AND YANG (1992)\n DATA SUBNAME(137), A(137), E(137) / 'ETHYLENEGLYCOL ', 4.00E+06, 0.0E+00 / ! ROLF SANDERS COMPILATION (1999)/BONE ET AL. (1983)\n DATA SUBNAME(138), A(138), E(138) / 'HYDROXY-ACETONE ', 2.00E+04, 0.0E+00 / ! MATSUNAGA ET AL., 41, 790-796, AE, (2007) \n DATA SUBNAME(139), A(139), E(139) / '2NITRO_1BUTNL ', 6.30E+03, 9.6E+03 / ! Shepson et al., 1992 \n DATA SUBNAME(140), A(140), E(140) / 'PYROCATECHOL ', 4.60E+03, 0.0E+00 / ! Mackay et al., 1995 \n DATA SUBNAME(141), A(141), E(141) / 'NTR_ALK ', 6.50E-01, 5.4E+03 / ! 2-butylnitrate, from Sander\n DATA SUBNAME(142), A(142), E(142) / 'NTR_OH ', 6.50E+03, 9.5E+03 / ! 3-nitrooxy-butanol, from Sander\n DATA SUBNAME(143), A(143), E(143) / 'DINTR ', 1.80E+01, 0.0E+00 / ! 2,3-pentanedinitrate\n DATA SUBNAME(144), A(144), E(144) / 'NTR_PX ', 3.40E+02, 6.0E+03 / ! ethylhydroperoxide \n DATA SUBNAME(145), A(145), E(145) / 'MTNO3 ', 1.5E+06, 0.0E+00 / ! monoterpene nitrates HenryWin v3.2 \n DATA SUBNAME(146), A(146), E(146) / 'ISOPNN ', 4.5E+08, 0.0E+00 / ! isoprene dinitrate HenryWin v3.2\n DATA SUBNAME(147), A(147), E(147) / 'SVALK1 ', 6.2E+08, 6.0E+03 / ! Pye 2016 est based on Hodzic 2014 GRL\n DATA SUBNAME(148), A(148), E(148) / 'SVALK2 ', 4.5E+06, 6.0E+03 / ! Pye 2016 est based on Hodzic 2014 GRL\n DATA SUBNAME(149), A(149), E(149) / 'SVBNZ1 ', 2.1E+08, 6.0E+03 / ! Pye 2016 est based on Hodzic 2014 GRL\n DATA SUBNAME(150), A(150), E(150) / 'SVBNZ2 ', 2.0E+06, 6.0E+03 / ! Pye 2016 est based on Hodzic 2014 GRL\n DATA SUBNAME(151), A(151), E(151) / 'SVISO1 ', 4.3E+07, 6.0E+03 / ! Pye 2016 est based on Hodzic 2014 GRL\n DATA SUBNAME(152), A(152), E(152) / 'SVISO2 ', 3.7E+09, 6.0E+03 / ! Pye 2016 est based on Hodzic 2014 GRL\n DATA SUBNAME(153), A(153), E(153) / 'SVPAH1 ', 5.1E+07, 6.0E+03 / ! Pye 2016 est based on Hodzic 2014 GRL\n DATA SUBNAME(154), A(154), E(154) / 'SVPAH2 ', 7.2E+05, 6.0E+03 / ! Pye 2016 est based on Hodzic 2014 GRL\n DATA SUBNAME(155), A(155), E(155) / 'SVSQT ', 6.2E+08, 6.0E+03 / ! Pye 2016 est based on Hodzic 2014 GRL\n DATA SUBNAME(156), A(156), E(156) / 'SVTOL1 ', 4.2E+07, 6.0E+03 / ! Pye 2016 est based on Hodzic 2014 GRL\n DATA SUBNAME(157), A(157), E(157) / 'SVTOL2 ', 7.3E+06, 6.0E+03 / ! Pye 2016 est based on Hodzic 2014 GRL\n DATA SUBNAME(158), A(158), E(158) / 'SVTRP1 ', 9.9E+08, 6.0E+03 / ! Pye 2016 est based on Hodzic 2014 GRL\n DATA SUBNAME(159), A(159), E(159) / 'SVTRP2 ', 1.4E+08, 6.0E+03 / ! Pye 2016 est based on Hodzic 2014 GRL\n DATA SUBNAME(160), A(160), E(160) / 'SVXYL1 ', 6.2E+07, 6.0E+03 / ! Pye 2016 est based on Hodzic 2014 GRL\n DATA SUBNAME(161), A(161), E(161) / 'SVXYL2 ', 4.0E+06, 6.0E+03 / ! Pye 2016 est based on Hodzic 2014 GRL\n\n DATA SUBNAME(162), A(162), E(162) / 'I2 ', 3.10E+00, 4.6E+03 / ! ROLF SANDERS COMPILATION (1999)/Berdnikov and Bazhin (1970)\n DATA SUBNAME(163), A(163), E(163) / 'I ', 6.30E-03, 2.3E+03 / ! ROLF SANDERS COMPILATION (1999)/Berdnikov and Bazhin (1970)\n DATA SUBNAME(164), A(164), E(164) / 'IO ', 4.50E+02, 0.0E+00 / ! Saiz-Lopez et al., ACPD, 2014\n DATA SUBNAME(165), A(165), E(165) / 'OIO ', 1.00E+04, 0.0E+00 / ! Saiz-Lopez et al., ACPD, 2014\n DATA SUBNAME(166), A(166), E(166) / 'I2O2 ', 1.00E+30, 0.0E+00 / ! Sherwen et al., 2016\n DATA SUBNAME(167), A(167), E(167) / 'I2O3 ', 1.00E+30, 0.0E+00 / ! Sherwen et al., 2016\n DATA SUBNAME(168), A(168), E(168) / 'I2O4 ', 1.00E+30, 0.0E+00 / ! Sherwen et al., 2016\n DATA SUBNAME(169), A(169), E(169) / 'HI ', 2.50E+00, 5.3E+03 / ! Schweitzer et al. (2000)\n DATA SUBNAME(170), A(170), E(170) / 'HOI ', 1.53E+04, 8.3E+03 / ! Sherwen et al., 2016 \n\n DATA SUBNAME(171), A(171), E(171) / 'INO ', 5.00E-02, 0.0E+00 / ! Same as ClNO which is from ROLF SANDERS COMPILATION (1999)/Scheer et al. (1997)\n DATA SUBNAME(172), A(172), E(172) / 'INO2 ', 3.00E-01, 0.0E+00 / ! Same as BRNO2 which is from ROLF SANDERS COMPILATION (1999)/Frenzel et al. (1998)\n DATA SUBNAME(173), A(173), E(173) / 'INO3 ', 1.00E+30, 0.0E+00 / ! Same as BRNO3; BRNO3 from Sander (2015) \n DATA SUBNAME(174), A(174), E(174) / 'CH3I ', 1.40E-01, 4.3E+03 / ! ROLF SANDERS COMPILATION (1999)/Moore et al. (1995)\n DATA SUBNAME(175), A(175), E(175) / 'MIC ', 8.90E-01, 4.3E+03 / ! ROLF SANDERS COMPILATION (1999)/Moore et al. (1995)\n DATA SUBNAME(176), A(176), E(176) / 'MIB ', 8.90E-01, 4.3E+03 / ! Same as MIC, Final Report to TCEQ, Environ International, 2012\n DATA SUBNAME(177), A(177), E(177) / 'MI2 ', 2.30E+00, 5.0E+03 / ! ROLF SANDERS COMPILATION (1999)/Moore et al. (1995)\n\n DATA SUBNAME(178), A(178), E(178) / 'BRO ', 7.10E-01, 0.0E+00 / ! Parrella et al. (2012)\n DATA SUBNAME(179), A(179), E(179) / 'HOBR ', 6.10E+03, 6.0E+03 / ! Sherwen et al., 2016\n DATA SUBNAME(180), A(180), E(180) / 'HBR ', 7.50E-01, 6.1E+03 / ! A from Schweitzer et al. (2000) and E from Chmeides and Stelson (1992) - ROLF SANDERS COMPILATION (1999)\n DATA SUBNAME(181), A(181), E(181) / 'BR2 ', 7.60E-01, 4.1E+03 / ! Dean et al. (1992)\n DATA SUBNAME(182), A(182), E(182) / 'BRNO3 ', 1.00E+30, 0.0E+00 / ! Sander (2015)\n\n DATA SUBNAME(183), A(183), E(183) / 'MB3 ', 1.40E+00, 5.0E+03 / ! ROLF SANDERS COMPILATION (1999)/Moore et al. (1995)\n DATA SUBNAME(184), A(184), E(184) / 'CH3BR ', 1.50E-01, 0.0E+00 / ! ROLF SANDERS COMPILATION (1999)/Yaws and Yang et al. (1992)\n DATA SUBNAME(185), A(185), E(185) / 'MB2 ', 9.30E-01, 4.4E+03 / ! ROLF SANDERS COMPILATION (1999)/Moore et al. (1995)\n DATA SUBNAME(186), A(186), E(186) / 'MB2C ', 7.30E-01, 4.9E+03 / ! ROLF SANDERS COMPILATION (1999)/Moore et al. (1995)\n DATA SUBNAME(187), A(187), E(187) / 'MBC2 ', 4.00E-01, 4.7E+03 / ! ROLF SANDERS COMPILATION (1999)/Moore et al. (1995)\n DATA SUBNAME(188), A(188), E(188) / 'MBC ', 8.90E-01, 4.3E+03 / ! Same as MIC\n DATA SUBNAME(189), A(189), E(189) / 'BRNO2 ', 3.00E-01, 0.0E+00 / ! Frenzel et al. (1998)\n DATA SUBNAME(190), A(190), E(190) / 'BRCL ', 9.70E-01, 0.0E+00 / ! Sherwen et al., 2016\n DATA SUBNAME(191), A(191), E(191) / 'ICL ', 1.10E+02, 2.1E+03 / ! Sherwen et al., 2016\n\n DATA SUBNAME(192), A(192), E(192) / 'DMS ', 4.80E-01, 3.1E+03 / ! ROLF SANDERS COMPILATION (1999)/De Bryuyn et al. (1995)\n DATA SUBNAME(193), A(193), E(193) / 'MSA ', 7.70E+04, 0.0E+00 / ! Meylan and Howard (1991), inverse of the value is used due to unit conversion\n DATA SUBNAME(194), A(194), E(194) / 'XYLENE ', 1.90E-01, 4.2E+03 / ! .35/.3/.35 m/o/p, Sander ACP 2015, Staudinger and Roberts (2001) for m; Fogg and Sangster (2003) for o and p\n DATA SUBNAME(195), A(195), E(195) / 'ETHYLBENZENE ', 1.42E-01, 4.8E+03 / ! Sander ACP 2015, Fogg Sangster (2003)\n DATA SUBNAME(196), A(196), E(196) / 'ACRYACID ', 3.141E+03, 0.0E+00 / ! Sander ACP 2015, Lide Frederikse (1995)\n DATA SUBNAME(197), A(197), E(197) / 'ACETONITRILE ', 5.269E+01, 4.0E+03 / ! Sander ACP 2015, Sander et al (2011)\n DATA SUBNAME(198), A(198), E(198) / 'CHLOROPRENE ', 4.760E+00, 0.0E+00 / ! Sander ACP 2015, Mackay et al. (1993)\n DATA SUBNAME(199), A(199), E(199) / 'METHCHLORIDE ', 1.320E-01, 3.3E+03 / ! Sander ACP 2015, Sander et al. (2011)\n DATA SUBNAME(200), A(200), E(200) / 'CARBSULFIDE ', 2.130E-02, 3.3E+03 / ! Sander ACP 2015, Warneck Williams (2012)\n DATA SUBNAME(201), A(201), E(201) / '6_NITRO_O_CRESOL', 2.938E+01, 0.0E+00 / ! 6-methyl-2-nitrophenol from Sander ACP 2015, Tremp et. al (1992)\n DATA SUBNAME(202), A(202), E(202) / 'SVMT1 ', 7.1E+11, 6.0E+03 / ! est based on Hodzic 2014 GRL\n DATA SUBNAME(203), A(203), E(203) / 'SVMT2 ', 8.9E+10, 6.0E+03 / ! est based on Hodzic 2014 GRL\n DATA SUBNAME(204), A(204), E(204) / 'SVMT3 ', 1.1E+10, 6.0E+03 / ! est based on Hodzic 2014 GRL\n DATA SUBNAME(205), A(205), E(205) / 'SVMT4 ', 1.4E+09, 6.0E+03 / ! est based on Hodzic 2014 GRL\n DATA SUBNAME(206), A(206), E(206) / 'SVMT5 ', 1.8E+08, 6.0E+03 / ! est based on Hodzic 2014 GRL\n DATA SUBNAME(207), A(207), E(207) / 'SVMT6 ', 2.2E+07, 6.0E+03 / ! est based on Hodzic 2014 GRL\n DATA SUBNAME(208), A(208), E(208) / 'SVMT7 ', 2.8E+06, 6.0E+03 / ! est based on Hodzic 2014 GRL\n DATA SUBNAME(209), A(209), E(209) / 'SVAVB1 ', 5.5E+09, 6.0E+03 / ! est based on Hodzic 2014 GRL\n DATA SUBNAME(210), A(210), E(210) / 'SVAVB2 ', 7.9E+07, 6.0E+03 / ! est based on Hodzic 2014 GRL\n DATA SUBNAME(211), A(211), E(211) / 'SVAVB3 ', 1.2E+07, 6.0E+03 / ! est based on Hodzic 2014 GRL\n DATA SUBNAME(212), A(212), E(212) / 'SVAVB4 ', 1.8E+06, 6.0E+03 / ! est based on Hodzic 2014 GRL\n DATA SUBNAME(213), A(213), E(213) / 'CLNO3 ', 1.00E+30, 0.0E+00 / ! Sander (2015)\n DATA SUBNAME(214), A(214), E(214) / 'IBR ', 2.43E+01, 4.9E+03 / ! Sherwen et al., 2016\n DATA SUBNAME(215), A(215), E(215) / 'FMBR ', 7.40E+01, 0.0E+00 / ! Sander, R. ACP (2015), krysztofiak et al. (2012)\n DATA SUBNAME(216), A(216), E(216) / 'CLO ', 7.00E-03, 0.0E+00 / ! Sander et al., ACP, 2015\n DATA SUBNAME(217), A(217), E(217) / 'BENAPY ', 2.00E+03, 4.7E+03 / ! benzo[a]pyrene Ma et al. (2010) and ten Hulscher et al. (1992) in Sander et al., ACP, 2015\n DATA SUBNAME(218), A(218), E(218) / 'XYEOPERA ', 1.27E-01, 4.0E+03 / ! O-xylene T dep from Staudinger and Roberts 1996, CRACMM RepCmp (OPERA SAR)\n DATA SUBNAME(219), A(219), E(219) / 'ROCIOXYOPERA ', 8.12E+00, 0.0E+00 / ! emission wt. CRACMM value (OPERA SAR)\n DATA SUBNAME(220), A(220), E(220) / 'UALDOPERA ', 44.0E+00, 0.0E+00 / ! CRACMM RepCmp value (OPERA SAR)\n DATA SUBNAME(221), A(221), E(221) / 'OLTOPERA ', 5.09E-03, 0.0E+00 / ! CRACMM RepCmp value (OPERA SAR)\n DATA SUBNAME(222), A(222), E(222) / 'OLIOPERA ', 4.85E-03, 0.0E+00 / ! CRACMM RepCmp value (OPERA SAR)\n DATA SUBNAME(223), A(223), E(223) / 'BENOPERA ', 0.18E+00, 0.0E+00 / ! CRACMM RepCmp value (OPERA SAR)\n DATA SUBNAME(224), A(224), E(224) / 'PHENOPERA ', 1.83E+04, 0.0E+00 / ! CRACMM RepCmp value (OPERA SAR)\n DATA SUBNAME(225), A(225), E(225) / 'TOLOPERA ', 0.15E+00, 0.0E+00 / ! CRACMM RepCmp value (OPERA SAR)\n DATA SUBNAME(226), A(226), E(226) / 'CSLOPERA ', 1.42E+03, 0.0E+00 / ! CRACMM RepCmp value (OPERA SAR)\n DATA SUBNAME(227), A(227), E(227) / 'XYMOPERA ', 0.14E+00, 0.0E+00 / ! CRACMM RepCmp value (OPERA SAR)\n DATA SUBNAME(228), A(228), E(228) / 'ISOOPERA ', 1.86E-02, 0.0E+00 / ! CRACMM RepCmp value (OPERA SAR)\n DATA SUBNAME(229), A(229), E(229) / 'APIOPERA ', 7.49E-03, 0.0E+00 / ! CRACMM RepCmp value (OPERA SAR)\n DATA SUBNAME(230), A(230), E(230) / 'LIMOPERA ', 4.44E-02, 0.0E+00 / ! CRACMM RepCmp value (OPERA SAR)\n DATA SUBNAME(231), A(231), E(231) / 'ORA2OPERA ', 9.95E+03, 0.0E+00 / ! CRACMM RepCmp value (OPERA SAR)\n DATA SUBNAME(232), A(232), E(232) / 'ACROOPERA ', 8.28E+00, 0.0E+00 / ! CRACMM RepCmp value (OPERA SAR)\n DATA SUBNAME(233), A(233), E(233) / 'BDE13OPERA ', 2.42E-02, 0.0E+00 / ! CRACMM RepCmp value (OPERA SAR)\n DATA SUBNAME(234), A(234), E(234) / 'PROGOPERA ', 1.65E+04, 0.0E+00 / ! CRACMM RepCmp value (OPERA SAR)\n DATA SUBNAME(235), A(235), E(235) / 'FURANOPERA ', 5.11E+03, 0.0E+00 / ! CRACMM RepCmp value (OPERA SAR)\n DATA SUBNAME(236), A(236), E(236) / 'SLOWROCOPERA ', 1.95E+00, 0.0E+00 / ! emission wt. CRACMM value (OPERA SAR)\n DATA SUBNAME(237), A(237), E(237) / 'SESQOPERA ', 1.07E-01, 0.0E+00 / ! CRACMM RepCmp value (OPERA SAR)\n DATA SUBNAME(238), A(238), E(238) / 'NAPHOPERA ', 2.28E+00, 0.0E+00 / ! CRACMM RepCmp value (OPERA SAR)\n DATA SUBNAME(239), A(239), E(239) / 'HC3OPERA ', 2.55E-03, 0.0E+00 / ! CRACMM RepCmp value (OPERA SAR)\n DATA SUBNAME(240), A(240), E(240) / 'HC5OPERA ', 8.04E-04, 0.0E+00 / ! CRACMM RepCmp value (OPERA SAR)\n DATA SUBNAME(241), A(241), E(241) / 'HC10OPERA ', 6.52E-03, 0.0E+00 / ! CRACMM RepCmp value (OPERA SAR)\n DATA SUBNAME(242), A(242), E(242) / 'ORA1OPERA ', 5.95E+03, 0.0E+00 / ! CRACMM RepCmp value (OPERA SAR)\n DATA SUBNAME(243), A(243), E(243) / 'MCTOPERA ', 5.80E+03, 0.0E+00 / ! CRACMM RepCmp value (OPERA SAR)\n DATA SUBNAME(244), A(244), E(244) / 'FURANONEOPERA ', 7.87E+04, 0.0E+00 / ! CRACMM RepCmp value (OPERA SAR)\n DATA SUBNAME(245), A(245), E(245) / 'IPCOPERA ', 4.72E+05, 0.0E+00 / ! CRACMM RepCMP value (OPERA SAR)\n DATA SUBNAME(246), A(246), E(246) / 'IPNOPERA ', 4.69E+04, 0.0E+00 / ! CRACMM RepCMP value (OPERA SAR)\n DATA SUBNAME(247), A(247), E(247) / 'VROCN2OXY2OPERA ', 1.15E+05, 0.0E+00 / ! CRACMM RepCMP value (OPERA SAR)\n DATA SUBNAME(248), A(248), E(248) / 'VROCN2OXY4OPERA ', 9.71E+05, 0.0E+00 / ! CRACMM RepCMP value (OPERA SAR)\n DATA SUBNAME(249), A(249), E(249) / 'VROCN2OXY8OPERA ', 3.80E+06, 0.0E+00 / ! CRACMM RepCMP value (OPERA SAR)\n DATA SUBNAME(250), A(250), E(250) / 'VROCN1OXY1OPERA ', 2.14E+04, 0.0E+00 / ! CRACMM RepCMP value (OPERA SAR)\n DATA SUBNAME(251), A(251), E(251) / 'VROCN1OXY3OPERA ', 2.87E+06, 0.0E+00 / ! CRACMM RepCMP value (OPERA SAR)\n DATA SUBNAME(252), A(252), E(252) / 'VROCN1OXY6OPERA ', 1.01E+06, 0.0E+00 / ! CRACMM RepCMP value (OPERA SAR)\n DATA SUBNAME(253), A(253), E(253) / 'VROCP0OXY2OPERA ', 4.03E+05, 0.0E+00 / ! CRACMM RepCMP value (OPERA SAR)\n DATA SUBNAME(254), A(254), E(254) / 'VROCP0OXY4OPERA ', 8.55E+05, 0.0E+00 / ! CRACMM RepCMP value (OPERA SAR)\n DATA SUBNAME(255), A(255), E(255) / 'VROCP1OXY1OPERA ', 4.52E+04, 0.0E+00 / ! CRACMM RepCMP value (OPERA SAR)\n DATA SUBNAME(256), A(256), E(256) / 'VROCP1OXY3OPERA ', 1.02E+04, 0.0E+00 / ! CRACMM RepCMP value (OPERA SAR)\n DATA SUBNAME(257), A(257), E(257) / 'VROCP2OXY2OPERA ', 4.93E+03, 0.0E+00 / ! CRACMM RepCMP value (OPERA SAR)\n DATA SUBNAME(258), A(258), E(258) / 'VROCP3OXY2OPERA ', 1.10E+02, 0.0E+00 / ! CRACMM RepCMP value (OPERA SAR)\n DATA SUBNAME(259), A(259), E(259) / 'VROCP4OXY2OPERA ', 6.45E+02, 0.0E+00 / ! CRACMM RepCMP value (OPERA SAR)\n DATA SUBNAME(260), A(260), E(260) / 'VROCP5OXY1OPERA ', 1.57E+00, 0.0E+00 / ! CRACMM RepCMP value (OPERA SAR)\n DATA SUBNAME(261), A(261), E(261) / 'VROCP6OXY1OPERA ', 1.37E+00, 0.0E+00 / ! CRACMM RepCMP value (OPERA SAR)\n DATA SUBNAME(262), A(262), E(262) / 'VROCP5AROOPERA ', 4.15E-01, 0.0E+00 / ! CRACMM RepCmp value (OPERA SAR)\n DATA SUBNAME(263), A(263), E(263) / 'VROCP6AROOPERA ', 1.87E-01, 0.0E+00 / ! CRACMM RepCmp value (OPERA SAR)\n DATA SUBNAME(264), A(264), E(264) / 'VROCN2ALKOPERA ', 1.34E+03, 0.0E+00 / ! CRACMM RepCmp value (OPERA SAR)\n DATA SUBNAME(265), A(265), E(265) / 'VROCN1ALKOPERA ', 1.34E+03, 0.0E+00 / ! CRACMM RepCmp value (OPERA SAR)\n DATA SUBNAME(266), A(266), E(266) / 'VROCP0ALKOPERA ', 1.33E+03, 0.0E+00 / ! CRACMM RepCmp value (OPERA SAR)\n DATA SUBNAME(267), A(267), E(267) / 'VROCP1ALKOPERA ', 1.33E+03, 0.0E+00 / ! CRACMM RepCmp value (OPERA SAR)\n DATA SUBNAME(268), A(268), E(268) / 'VROCP2ALKOPERA ', 1.17E+03, 0.0E+00 / ! CRACMM RepCmp value (OPERA SAR)\n DATA SUBNAME(269), A(269), E(269) / 'VROCP3ALKOPERA ', 6.10E+02, 0.0E+00 / ! CRACMM RepCmp value (OPERA SAR)\n DATA SUBNAME(270), A(270), E(270) / 'VROCP4ALKOPERA ', 2.94E+01, 0.0E+00 / ! CRACMM RepCmp value (OPERA SAR)\n DATA SUBNAME(271), A(271), E(271) / 'VROCP5ALKOPERA ', 5.41E-02, 0.0E+00 / ! CRACMM RepCmp value (OPERA SAR)\n DATA SUBNAME(272), A(272), E(272) / 'VROCP6ALKOPERA ', 6.90E-03, 0.0E+00 / ! CRACMM RepCmp value (OPERA SAR)\n DATA SUBNAME(273), A(273), E(273) / 'STYOPERA ', 3.89E-01, 0.0E+00 / ! CRACMM RepCmp value (OPERA SAR)\n DATA SUBNAME(274), A(274), E(274) / 'EBZOPERA ', 1.27E-01, 4.0E+03 / ! O-xylene T dep from Staudinger and Roberts 1996, CRACMM RepCmp (OPERA SAR)\n DATA SUBNAME(275), A(275), E(275) / 'XYLOPERA ', 0.14E+00, 0.0E+00 / ! CRACMM RepCmp value (OPERA SAR)\n DATA SUBNAME(276), A(276), E(276) / 'INALDOPERA ', 1.00E+05, 0.0E+00 / ! CRACMM RepCMP value (OPERA SAR)\n DATA SUBNAME(277), A(277), E(277) / 'IPXOPERA ', 1.55E+07, 0.0E+00 / ! CRACMM RepCMP value (OPERA SAR)\n\n DATA B( LSO2 ), D( LSO2 ) / 1.30E-02, 1.96E+03 / ! SO2*H2O<=>HSO3+H : Smith and Martell (1976)\n DATA B( LHSO3 ), D( LHSO3 ) / 6.60E-08, 1.50E+03 / ! HSO3<=>SO3+H : Smith and Martell (1976)\n DATA B( LHNO2 ), D( LHNO2 ) / 5.10E-04, -1.26E+03 / ! HNO2(aq)<=>NO2+H : Schwartz and White (1981)\n DATA B( LHNO3 ), D( LHNO3 ) / 1.54E+01, 8.70E+03 / ! HNO3(aq)<=>NO3+H : Schwartz (1984)\n DATA B( LCO2 ), D( LCO2 ) / 4.30E-07, -1.00E+03 / ! CO2*H2O<=>HCO3+H : Smith and Martell (1976)\n DATA B( LHCO3 ), D( LHCO3 ) / 4.68E-11, -1.76E+03 / ! HCO3<=>CO3+H : Smith and Martell (1976)\n DATA B( LH2O2 ), D( LH2O2 ) / 2.20E-12, -3.73E+03 / ! H2O2(aq)<=>HO2+H : Smith and Martell (1976)\n DATA B( LHCOOH ), D( LHCOOH ) / 1.80E-04, -2.00E+01 / ! HCOOH(aq)<=>HCOO+H : Martell and Smith (1977)\n DATA B( LHO2 ), D( LHO2 ) / 3.50E-05, 0.00E+00 / ! HO2(aq)<=>H+O2 : Perrin (1982)\n DATA B( LNH4OH ), D( LNH4OH ) / 1.70E-05, -4.50E+02 / ! NH4*OH<=>NH4+OH : Smith and Martell (1976)\n DATA B( LH2O ), D( LH2O ) / 1.00E-14, -6.71E+03 / ! H2O<=>H+OH : Smith and Martell (1976)\n DATA B( LATRA ), D( LATRA ) / 2.09E-02, 0.00E+00 / ! C8H14ClN5<=>C8H13ClN5+H : Weber (1970)\n DATA B( LCL2 ), D( LCL2 ) / 5.01E-04, 0.00E+00 / ! CL2*H2O <=> HOCL + H + CL : LIN AND PEHKONEN, JGR, 103, D21, 28093-28102, NOVEMBER 20, 1998. ALSO SEE NOTE BELOW\n DATA B( LHOCL ), D( LHOCL ) / 3.16E-08, 0.00E+00 / ! HOCL <=>H + OCL : LIN AND PEHKONEN, JGR, 103, D21, 28093-28102, NOVEMBER 20, 1998\n DATA B( LHCL ), D( LHCL ) / 1.74E+06, 6.90E+03 / ! HCL <=> H + CL : Marsh and McElroy (1985)\n DATA B( LHYDRAZINE), D( LHYDRAZINE) / 1.11E-08, 0.00E+00 / ! HYDRAZINE <=> HYDRAZINE+ + OH- : Moliner and Street (1989)\n DATA B( LHBR ), D( LHBR ) / 1.00E+09, 0.00E+00 / ! HBR <=> H + BR : Schweitzer et al. (2000)\n DATA B( LHI ), D( LHI ) / 3.20E+09, 0.00E+00 / ! HI <=> H + I : Schweitzer et al. (2000)\n DATA B( LACRYACID ), D( LACRYACID ) / 5.62E-05, 0.00E+00 / ! CH3C(O)OH <=> H + CH3C(O)O : Riddick et al. (1985)\n\n!-------------------------------------------------------------------------------\n! Note for dissociation constant for equation 14: CL2*H2O <=> HOCL + H + CL\n! Need aqueous [CL-] concentration to calculate effective henry's law coefficient\n! Used a value of 2.0 mM following Lin and Pehkonen, JGR, 103, D21, 28093-28102, November 20, 1998\n!-------------------------------------------------------------------------------\n\nC...........EXTERNAL FUNCTIONS:\n\nC-----------------------------------------------------------------------\n\n SPC = 0\n DO S = 1, MXSPCS\n IF( CNAME .EQ. SUBNAME( S ) )THEN\n SPC = S\n EXIT\n END IF\n END DO\n\nC...error if species not found in table\n\n IF ( SPC .LE. 0 ) THEN\n XMSG = TRIM( CNAME ) // ' not found in Henry''s '//\n & ' Law Constant table in routine HLCONST.'\n CALL M3EXIT ( PNAME, 0, 0, XMSG, XSTAT2 )\n END IF\n\nC...compute the Henry's Law Constant\n\n TFAC = ( 298.0 - TEMP) / ( 298.0 * TEMP )\n KH = A( SPC ) * EXP( E( SPC ) * TFAC )\n HLCONST = KH\n\nC...compute the effective Henry's law constants\n\n IF ( EFFECTIVE ) THEN\n\n IF ( HPLUS .LE. 0.0 ) THEN\n XMSG = 'Negative or Zero [H+] concentration specified ' //\n & 'in HLCONST '\n CALL M3EXIT ( PNAME, 0, 0, XMSG, XSTAT2 )\n END IF\n\n HPLUSI = 1.0 / HPLUS\n HPLUS2I = HPLUSI * HPLUSI\n\nC...assign a value for clminus. use 2.0 mM based on Lin and Pehkonene, 1998, JGR\n\n CLMINUS = 2.0E-03 ! chlorine ion conc [CL-]\n CLMINUSI = 1.0 / CLMINUS ! 1 / CLMINUS\n\n CHECK_NAME: SELECT CASE ( CNAME )\n\n CASE ('SO2') ! SO2H2O <=> HSO3- + H+\n ! & HSO3- <=> SO3= + H+\n\n AKEQ1 = B( LSO2 ) * EXP( D( LSO2 ) * TFAC )\n AKEQ2 = B( LHSO3 ) * EXP( D( LHSO3 ) * TFAC )\n HLCONST = KH * ( 1.0 + AKEQ1 * HPLUSI + AKEQ1 * AKEQ2 * HPLUS2I )\n\n CASE ('HNO2') ! HNO2(aq) <=> NO2- + H+\n\n AKEQ1 = B( LHNO2 ) * EXP( D( LHNO2 ) * TFAC )\n HLCONST = KH * ( 1.0 + AKEQ1 * HPLUSI )\n\n CASE ('HNO3') ! HNO3(aq) <=> NO3- + H+\n\n AKEQ1 = B( LHNO3 ) * EXP( D( LHNO3 ) * TFAC )\n HLCONST = KH * ( 1.0 + AKEQ1 * HPLUSI )\n\n CASE ('CO2') ! CO2H2O <=> HCO3- + H+\n ! & HCO3- <=> CO3= + H+\n\n AKEQ1 = B( LCO2 ) * EXP( D( LCO2 ) * TFAC )\n AKEQ2 = B( LHCO3 ) * EXP( D( LHCO3 ) * TFAC )\n HLCONST = KH\n & * ( 1.0 + AKEQ1 * HPLUSI + AKEQ1 * AKEQ2 * HPLUS2I )\n\n CASE ('H2O2') ! H2O2(aq) <=> HO2- + H+\n\n AKEQ1 = B( LH2O2 ) * EXP( D( LH2O2 ) * TFAC )\n HLCONST = KH * ( 1.0 + AKEQ1 * HPLUSI )\n\n CASE ('FORMIC_ACID') ! HCOOH(aq) <=> HCOO- + H+\n\n AKEQ1 = B( LHCOOH ) * EXP( D( LHCOOH ) * TFAC )\n HLCONST = KH * ( 1.0 + AKEQ1 * HPLUSI )\n\n CASE ('HO2') ! HO2(aq) <=> H+ + O2-\n\n AKEQ1 = B( LHO2 ) * EXP( D( LHO2 ) * TFAC )\n HLCONST = KH * ( 1.0 + AKEQ1 * HPLUSI )\n\n CASE ('NH3') ! NH4OH <=> NH4+ + OH-\n\n AKEQ1 = B( LNH4OH ) * EXP( D( LNH4OH ) * TFAC )\n AKEQ2 = B( LH2O ) * EXP( D( LH2O ) * TFAC )\n OHION = AKEQ2 * HPLUSI\n HLCONST = KH * ( 1.0 + AKEQ1 / OHION )\n\n CASE ('HYDRAZINE') ! HYDRAZINE <=> HYDRAZINE+ + OH-\n\n AKEQ1 = B( LHYDRAZINE ) * EXP( D( LHYDRAZINE ) * TFAC )\n AKEQ2 = B( LH2O ) * EXP( D( LH2O ) * TFAC )\n OHION = AKEQ2 * HPLUSI\n HLCONST = KH * ( 1.0 + AKEQ1 / OHION )\n\n CASE ('ATRA', 'DATRA') ! ATRA(aq) <=> ATRA- + H\n ! or DATRA(aq) <=> DATRA- + H\n\n AKEQ1 = B( LATRA ) * EXP( D( LATRA ) * TFAC )\n HLCONST = KH * ( 1.0 + AKEQ1 * HPLUSI )\n\n CASE ( 'CL2' ) ! CL2*H2O <=> HOCL + H + CL\n ! HOCL <=>H + OCL\n\n AKEQ1 = B( LCL2 ) * EXP( D( LCL2 ) * TFAC )\n AKEQ2 = B( LHOCL ) * EXP( D( LHOCL ) * TFAC )\n HLCONST = KH * ( 1.0 + AKEQ1 * HPLUSI * CLMINUSI\n & + AKEQ1 * AKEQ2 * HPLUS2I * CLMINUSI )\n\n CASE ( 'HCL' ) ! HCL <=> H+ + CL-\n\n AKEQ1 = B( LHCL ) * EXP( D( LHCL ) * TFAC )\n HLCONST = KH * ( 1.0 + AKEQ1 * HPLUSI )\n\n CASE ( 'HOCL' ) ! HOCL <=> H+ + OCL-\n\n AKEQ1 = B( LHOCL ) * EXP( D( LHOCL ) * TFAC )\n HLCONST = KH * ( 1.0 + AKEQ1 * HPLUSI )\n\n CASE ( 'HBR' ) ! HBR <=> H+ + BR-\n\n AKEQ1 = B( LHBR ) * EXP( D( LHBR ) * TFAC )\n HLCONST = KH * ( 1.0 + AKEQ1 * HPLUSI )\n\n CASE ( 'HI' ) ! HI <=> H+ + I-\n\n AKEQ1 = B( LHI ) * EXP( D( LHI ) * TFAC )\n HLCONST = KH * ( 1.0 + AKEQ1 * HPLUSI )\n\n CASE ( 'ACRYACID' ) ! CH3C(O)OH <=> H + CH3C(O)O \n\n AKEQ1 = B( LACRYACID ) * EXP( D( LACRYACID ) * TFAC )\n HLCONST = KH * ( 1.0 + AKEQ1 * HPLUSI )\n\n END SELECT CHECK_NAME\n\n END IF\n\n RETURN\n END\n" }, { "path": "CCTM/src/cloud/acm_ae6/indexn.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n INTEGER FUNCTION INDEXN ( NAME1, N, NAME2, INDICES )\n\nC***********************************************************************\nC\nC FUNCTION:\nC\nC This routine searches for all occurrences of NAME1 in list NAME2\nC\nC REVISION HISTORY:\nC\nC 5/88 Modified for ROMNET\nC\nC ARGUMENT LIST DESCRIPTION:\nC\nC Input arguments:\nC\nC NAME1 Character string being searched for\nC N Length of array to be searched\nC NAME2 Character array to be searched\nC INDICES Index array of all occurrences\nC\nC Output arguments:\nC\nC INDEXN The number of occurrences of NAME1 within the NAME2\nC array. If string was not found, INDEXN = 0\nC\nC LOCAL VARIABLE DESCRIPTION:\nC\nC None\nC\nC***********************************************************************\n\n IMPLICIT NONE\n\n INTEGER N\n INTEGER I\n INTEGER INDICES(*)\n\n CHARACTER*(*) NAME1\n CHARACTER*(*) NAME2(*)\n\nC...Assume NAME1 is not in list NAME2 \n\n INDEXN = 0\n\n DO I = 1, N\n\n IF ( INDEX( NAME2( I ), NAME1 ) .GT. 0 ) THEN\n INDEXN = INDEXN + 1\n INDICES( INDEXN ) = I\n END IF\n\n END DO\n\n RETURN\n END \n" }, { "path": "CCTM/src/cloud/acm_ae6/opwdep.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n!:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE OPWDEP ( JDATE, JTIME, TSTEP )\n\n!-----------------------------------------------------------------------\n!\n! FUNCTION: Open wet dep file(s)\n!\n! PRECONDITIONS:\n! Dates and times represented YYYYDDD:HHMMSS.\n!\n! REVISION HISTORY:\n! Date Who What\n! -------- --- -----------------------------------------\n! 07/17/15 D. Wong initial version\n! 12/30/19 S. Napelenok ddm-3d implemenation for v5.3.1\n!-----------------------------------------------------------------------\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE CGRID_SPCS ! CGRID mechanism species\n USE UTILIO_DEFN\n\n#ifdef sens\n USE DDM3D_DEFN, ONLY : NP, NPMAX, SEN_PAR, SENNUM, S_WETDEPSPC\n#endif\n\n IMPLICIT NONE\n\n!...........INCLUDES\n\n INCLUDE SUBST_CONST ! constants\n INCLUDE SUBST_FILES_ID ! file name parameters\n\n CHARACTER( 120 ) :: XMSG = ' ' ! exit message string\n\n!...........PARAMETERS\n\n!...........ARGUMENTS\n\n INTEGER, INTENT (IN) :: JDATE ! current model date, coded YYYYDDD\n INTEGER, INTENT (IN) :: JTIME ! current model time, coded HHMMSS\n INTEGER, INTENT (IN) :: TSTEP ! model time step, coded HHMMSS\n\n!...........Local Variables\n\n CHARACTER( 16 ), SAVE :: PNAME = 'OPWDEP' ! driver program name\n\n INTEGER FINI ! ending position\n INTEGER L ! loop counter\n INTEGER SPC ! species subscript indices\n INTEGER STRT ! starting position\n INTEGER VAR ! variable subscript indices\n\n!-----------------------------------------------------------------------\n\n!...Initialization\n\n!...first check to make sure that some species in CGRID were specified\n!...for output in the wet deposition array, otherwise notify the user\n!...and return\n\n IF ( N_SPC_WDEP .LE. 0 ) THEN\n\n XMSG = 'No species were specified for wet deposition ' //\n & 'tracking'\n CALL M3WARN ( PNAME, JDATE, JTIME, XMSG )\n\n XMSG = 'ONLY CLOUD DIAGNOSTICS WILL BE WRITTEN TO THE ' //\n & 'WETDEP OUTPUT FILE!'\n CALL M3MESG ( XMSG )\n\n END IF\n\n#ifndef mpas\nC Try to open existing wet deposition file for update\n\n IF ( IO_PE_INCLUSIVE ) THEN\n WRITE( LOGDEV, * )\n IF ( .NOT. OPEN3( CTM_WET_DEP_1, FSRDWR3, PNAME ) ) THEN\n\n XMSG = 'Could not open ' // CTM_WET_DEP_1 // ' file for update - '\n & // 'try to open new'\n CALL M3MESG( XMSG )\n\n!...Create wet deposition file:\n!... copy most of header description from\n!... MET_CRO_2D and initialize depositions to zero.\n\n!...open MET_CRO_2D\n\n IF ( .NOT. OPEN3( MET_CRO_2D, FSREAD3, PNAME ) ) THEN\n XMSG = 'Could not open '// MET_CRO_2D // ' file'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n!...get description from the met file\n\n IF ( .NOT. DESC3( MET_CRO_2D ) ) THEN\n XMSG = 'Could not get ' // MET_CRO_2D //' file description'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n NCOLS3D = GL_NCOLS\n NROWS3D = GL_NROWS\n\n XORIG3D = XORIG_GD\n YORIG3D = YORIG_GD\n\n!...advance to time variable for the output file to the next hour\n\n SDATE3D = JDATE\n STIME3D = 10000 * ( JTIME / 10000 ) ! clear MMSS fields\n TSTEP3D = TSTEP \n CALL NEXTIME ( SDATE3D, STIME3D, TSTEP3D ) ! on the next hour\n\n NVARS3D = N_SPC_WDEP + 1\n\n!...define wet deposition output descriptors for gaseous species\n\n SPC = 0\n STRT = 1\n FINI = N_GC_WDEP\n DO VAR = STRT, FINI\n SPC = SPC + 1\n VTYPE3D ( VAR ) = M3REAL\n VNAME3D ( VAR ) = GC_WDEP( SPC )\n UNITS3D ( VAR ) = 'kg ha-1'\n VDESC3D ( VAR ) = 'hourly wet deposition values'\n END DO\n\n!...define wet deposition output descriptors for aerosol species\n\n SPC = 0\n STRT = N_GC_WDEP + 1\n FINI = N_GC_WDEP + N_AE_WDEP\n DO VAR = STRT, FINI\n SPC = SPC + 1\n VTYPE3D ( VAR ) = M3REAL\n VNAME3D ( VAR ) = AE_WDEP( SPC )\n IF ( INDEX( AE_WDEP( SPC ), 'NUM' ) .GT. 0 ) THEN\n UNITS3D ( VAR ) = 'ha-1'\n ELSE IF ( INDEX( AE_WDEP( SPC ), 'SRF' ) .GT. 0 ) THEN\n UNITS3D ( VAR ) = 'm2 ha-1'\n ELSE\n UNITS3D ( VAR ) = 'kg ha-1'\n END IF\n VDESC3D ( VAR ) = 'hourly wet deposition values'\n END DO\n\n!...define wet deposition output descriptors for non-reactive species\n\n SPC = 0\n STRT = N_GC_WDEP + N_AE_WDEP + 1\n FINI = N_GC_WDEP + N_AE_WDEP + N_NR_WDEP\n DO VAR = STRT, FINI\n SPC = SPC + 1\n VTYPE3D ( VAR ) = M3REAL\n VNAME3D ( VAR ) = NR_WDEP( SPC )\n UNITS3D ( VAR ) = 'kg ha-1'\n VDESC3D ( VAR ) = 'hourly wet deposition values'\n END DO\n\n!...define wet deposition output descriptors for tracer species\n\n SPC = 0\n STRT = N_GC_WDEP + N_AE_WDEP + N_NR_WDEP + 1\n FINI = N_GC_WDEP + N_AE_WDEP + N_NR_WDEP + N_TR_WDEP\n DO VAR = STRT, FINI\n SPC = SPC + 1\n VTYPE3D ( VAR ) = M3REAL\n VNAME3D ( VAR ) = TR_WDEP( SPC )\n UNITS3D ( VAR ) = 'kg ha-1'\n VDESC3D ( VAR ) = 'hourly wet deposition values'\n END DO\n\n!...define output descriptor for hydrogen concentration\n\n VAR = N_GC_WDEP + N_AE_WDEP + N_NR_WDEP + N_TR_WDEP + 1\n VTYPE3D( VAR ) = M3REAL\n VNAME3D( VAR ) = 'HPLUS'\n UNITS3D( VAR ) = 'kg ha-1'\n VDESC3D( VAR ) = 'hourly wet deposition values'\n\n!...initialize the file descriptors\n\n FDESC3D( 1 ) = 'hourly 1-layer cross-point wet deposition'\n & // ' from all cloud types'\n DO L = 2 , MXDESC3\n FDESC3D( L ) = ' '\n END DO\n\n GDNAM3D = GRID_NAME ! from HGRD_DEFN\n\n!...try to open the output file new\n\n IF ( .NOT. OPEN3( CTM_WET_DEP_1, FSNEW3, PNAME ) ) THEN\n XMSG = 'Could not create '// CTM_WET_DEP_1 // ' file'\n CALL M3EXIT ( PNAME, SDATE3D, STIME3D, XMSG, XSTAT1 )\n END IF\n\n END IF ! open CTM_WET_DEP_1 read/write\n\n#ifdef sens\n IF ( .NOT. OPEN3( CTM_SWETDEP_1, FSRDWR3, PNAME ) ) THEN\n XMSG = 'Could not open ' // CTM_SWETDEP_1 //\n & ' file for update - try to open new'\n CALL M3MESG( XMSG )\n\nC...Create sensitivity wet deposition file:\n NVARS3D = ( N_SPC_WDEP + 1 ) * NPMAX\n\n ALLOCATE ( S_WETDEPSPC( NVARS3D ) )\n S_WETDEPSPC = 'blank'\n\n VTYPE3D = M3REAL\n VDESC3D = 'Sens of hourly wet dep values' \n\nC...define sens wet deposition output descriptors for gaseous species\n SPC = 0\n STRT = 1\n FINI = N_GC_WDEP\n DO VAR = STRT, FINI\n SPC = SPC + 1\n DO NP = 1, NPMAX\n SENNUM = ( SPC - 1 ) * NPMAX + NP\n VNAME3D ( SENNUM ) = TRIM( GC_WDEP( SPC )( 1:12 ) ) //'_'// SEN_PAR( NP )\n UNITS3D ( SENNUM ) = 'kg/hectare'\n S_WETDEPSPC ( SENNUM ) = VNAME3D ( SENNUM )\n END DO\n END DO\n\nC...define wet deposition output descriptors for aerosol species\n SPC = 0\n STRT = N_GC_WDEP + 1\n FINI = N_GC_WDEP + N_AE_WDEP\n DO VAR = STRT, FINI\n SPC = SPC + 1\n DO NP = 1, NPMAX\n SENNUM = ( NPMAX * N_GC_WDEP ) + ( SPC - 1 ) *NPMAX + NP\n VNAME3D ( SENNUM ) = TRIM( AE_WDEP( SPC )( 1:12 ) ) //'_'// SEN_PAR( NP )\n IF ( INDEX( AE_WDEP( SPC ), 'NUM' ) .GT. 0 ) THEN\n UNITS3D ( SENNUM ) = 'number/hectare'\n ELSE IF ( INDEX( AE_WDEP( SPC ), 'SRF' ) .GT. 0 ) THEN\n UNITS3D ( SENNUM ) = 'm2/hectare'\n ELSE\n UNITS3D ( SENNUM ) = 'kg/hectare'\n END IF\n S_WETDEPSPC ( SENNUM ) = VNAME3D ( SENNUM )\n END DO\n END DO\n\nC...define wet deposition output descriptors for non-reactive species\n SPC = 0\n STRT = N_GC_WDEP + N_AE_WDEP + 1\n FINI = N_GC_WDEP + N_AE_WDEP + N_NR_WDEP\n DO VAR = STRT, FINI\n SPC = SPC + 1\n DO NP = 1, NPMAX\n SENNUM = NPMAX * ( N_GC_WDEP + N_AE_WDEP ) + ( SPC - 1 ) * NPMAX + NP\n VNAME3D ( SENNUM ) = TRIM( NR_WDEP( SPC )( 1:12 ) ) //'_'// SEN_PAR( NP )\n UNITS3D ( SENNUM ) = 'kg/hectare'\n S_WETDEPSPC ( SENNUM ) = VNAME3D ( SENNUM )\n END DO\n END DO\n\nC...define wet deposition output descriptors for tracer species\n SPC = 0\n STRT = N_GC_WDEP + N_AE_WDEP + N_NR_WDEP + 1\n FINI = N_GC_WDEP + N_AE_WDEP + N_NR_WDEP + N_TR_WDEP\n DO VAR = STRT, FINI\n SPC = SPC + 1\n DO NP = 1, NPMAX\n SENNUM = NPMAX * ( N_GC_WDEP + N_AE_WDEP + N_NR_WDEP ) + ( SPC - 1 ) * NPMAX + NP\n VNAME3D ( SENNUM ) = TRIM( TR_WDEP( SPC )( 1:12 ) ) //'_'// SEN_PAR( NP )\n UNITS3D ( SENNUM ) = 'kg/hectare'\n S_WETDEPSPC ( SENNUM ) = VNAME3D ( SENNUM )\n END DO\n END DO\n\nC...define output descriptor for hydrogen concentration\n VAR = N_GC_WDEP + N_AE_WDEP + N_NR_WDEP + N_TR_WDEP\n DO NP = 1, NPMAX\n SENNUM = NPMAX * VAR + NP\n VNAME3D ( SENNUM ) = 'HPLUS_' // SEN_PAR( NP )\n UNITS3D ( SENNUM ) = 'kg/hectare'\n S_WETDEPSPC ( SENNUM ) = VNAME3D ( SENNUM )\n END DO\n\nC...initialize the file descriptors\n FDESC3D = ' '\n FDESC3D( 1 ) = 'Sensitivity of hourly 1-layer '\n & // 'cross-point wet deposition '\n & // 'from all cloud types'\nC...try to open the output file new\n IF ( .NOT. OPEN3( CTM_SWETDEP_1, FSNEW3, PNAME ) ) THEN\n XMSG = 'Could not create '// CTM_SWETDEP_1 // ' file'\n CALL M3EXIT ( PNAME, SDATE3D, STIME3D, XMSG, XSTAT1 )\n END IF\n\n END IF ! open CTM_SWETDEP_1 read/write\n#endif\n\n!...open the diagnostic file if user asked for it\n\n IF ( CLD_DIAG ) THEN\n\n!...Try to open existing file for update\n WRITE( LOGDEV, * )\n IF ( .NOT. OPEN3( CTM_WET_DEP_2, FSRDWR3, PNAME ) ) THEN\n\n XMSG = 'Could not open ' // CTM_WET_DEP_2 // ' file for update - '\n & // 'try to open new'\n CALL M3MESG( XMSG )\n\n!...copy most of header description from\n!...CTM_WET_DEP_1 and initialize depositions to zero.\n\n!...get description from the other wet dep file\n\n IF ( .NOT. DESC3( CTM_WET_DEP_1 ) ) THEN\n XMSG = 'Could not get ' // CTM_WET_DEP_1 //' file description'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n!...advance to time variable for the output file to the next hour\n\n SDATE3D = JDATE\n STIME3D = 10000 * ( JTIME / 10000 ) ! clear MMSS fields\n TSTEP3D = TSTEP \n CALL NEXTIME ( SDATE3D, STIME3D, TSTEP3D ) ! on the next hour\n\n NVARS3D = N_SPC_WDEP + 8 + 4\n\n!...define output descriptor for pressure at the lifting condensation\n!...level (LCL)\n\n VAR = N_GC_WDEP + N_AE_WDEP + N_NR_WDEP + N_TR_WDEP + 2\n VTYPE3D( VAR ) = M3REAL\n VNAME3D( VAR ) = 'PLCL'\n UNITS3D( VAR ) = 'Pa'\n VDESC3D( VAR ) = 'pressure at lifting condensation level, '\n & // 'or MISSING = -9999.9'\n\n!...define output descriptor for cloud bottom layer number\n\n VAR = VAR + 1\n VTYPE3D( VAR ) = M3REAL\n VNAME3D( VAR ) = 'CLOUD_BOTTOM'\n UNITS3D( VAR ) = ''\n VDESC3D( VAR ) = 'layer number containing bottom of cloud, or MISSING = -9999.9'\n\n!...define output descriptor for precipitating cloud top layer number\n\n VAR = VAR + 1\n VTYPE3D( VAR ) = M3REAL\n VNAME3D( VAR ) = 'PR_CLOUDTOP'\n UNITS3D( VAR ) = ''\n VDESC3D( VAR ) = 'layer number containing top of PR cloud, or MISSING = -9999.9'\n\n!...define output descriptor for non-precipitating cloud top layer number\n\n VAR = VAR + 1\n VTYPE3D( VAR ) = M3REAL\n VNAME3D( VAR ) = 'NP_CLOUDTOP'\n UNITS3D( VAR ) = ''\n VDESC3D( VAR ) = 'layer number containing top of NP cloud, or MISSING = -9999.9'\n\n!...define output descriptor for rain event flag\n\n VAR = VAR + 1\n VTYPE3D( VAR ) = M3REAL\n VNAME3D( VAR ) = 'RAIN_FLAG'\n UNITS3D( VAR ) = ''\n VDESC3D( VAR ) = 'Rain-event flag (values: 1,0)'\n \n!...define output descriptor for precitating cloud fraction\n\n VAR = VAR + 1\n VTYPE3D( VAR ) = M3REAL\n VNAME3D( VAR ) = 'PR_CLDFRAC'\n UNITS3D( VAR ) = '1'\n VDESC3D( VAR ) = 'Precipitating cloud fraction'\n\n!...define output descriptor for non-precipitating cloud fraction\n\n VAR = VAR + 1\n VTYPE3D( VAR ) = M3REAL\n VNAME3D( VAR ) = 'NP_CLDFRAC'\n UNITS3D( VAR ) = '1'\n VDESC3D( VAR ) = 'Non-precipitating cloud fraction'\n\n!...define output descriptor for precipitating cloud transmissivity\n\n VAR = VAR + 1\n VTYPE3D( VAR ) = M3REAL\n VNAME3D( VAR ) = 'PR_TRANS'\n UNITS3D( VAR ) = '1'\n VDESC3D( VAR ) = 'Precipitating cloud transmissivity'\n\n!...define output descriptor for non-precipitating cloud transmissivity\n\n VAR = VAR + 1\n VTYPE3D( VAR ) = M3REAL\n VNAME3D( VAR ) = 'NP_TRANS'\n UNITS3D( VAR ) = '1'\n VDESC3D( VAR ) = 'Non-precipitating cloud transmissivity'\n\n!...define output descriptor for resolved cloud transmissivity\n\n VAR = VAR + 1\n VTYPE3D( VAR ) = M3REAL\n VNAME3D( VAR ) = 'RES_TRANS'\n UNITS3D( VAR ) = '1'\n VDESC3D( VAR ) = 'Resolved cloud transmissivity'\n\n!...define output descriptor for overall cloud transmissivity\n\n VAR = VAR + 1\n VTYPE3D( VAR ) = M3REAL\n VNAME3D( VAR ) = 'CLD_TRANS'\n UNITS3D( VAR ) = '1'\n VDESC3D( VAR ) = 'Total cloud transmissivity'\n\n!...initialize the file descriptors\n\n FDESC3D( 1 ) = 'hourly 1-layer cross-point wet deposition '\n & // 'from sub-grid clouds and cloud data'\n DO L = 2 , MXDESC3\n FDESC3D( L ) = ' '\n END DO\n\n!...try to open the diagnostic output file\n\n IF ( .NOT. OPEN3( CTM_WET_DEP_2, FSNEW3, PNAME ) ) THEN\n XMSG = 'Could not create '// CTM_WET_DEP_2 // ' file'\n CALL M3EXIT ( PNAME, SDATE3D, STIME3D, XMSG, XSTAT1 )\n END IF\n\n END IF ! open CTM_WET_DEP_2 read/write\n\n END IF ! CLD_DIAG\n\n END IF ! IO_PE_INCLUSIVE\n#endif\n\n END SUBROUTINE OPWDEP\n" }, { "path": "CCTM/src/cloud/acm_ae6/rescld.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE RESCLD ( CGRD, JDATE, JTIME, TSTEP,\n & DEP, RESTRANS )\n\nC-----------------------------------------------------------------------\nC FUNCTION: Resolved-scale CLOUD processor Models-3 science process:\n \nC Revision History:\nC No Date Who What\nC -- -------- --- -----------------------------------------\nC 0 01/15/98 sjr created program\nC 1 03/09/98 sjr made several revisions: fix to read sub-hourly\nC rainfall data, reordered some of the code\nC 2 12/15/98 David Wong at LM\nC -- changed division of GPKG to multiplication of GPKG reciprocal\nC -- interchanged loops structure in line 317\nC 3 03/18/99 David Wong at LM\nC -- replace \"* M2PHA * ONE_OVER_GPKG\" by \"* M2PHA_OVER_GPKG\" which\nC is a new constant defined as M2PHA / GPKG\nC 4 08/30/99 sjr revised for new aerosol model (with 2nd moments)\nC 5 Dec 00 Jeff move CGRID_MAP into f90 module\nC 6 01/04/01 sjr added QS and QI to total water content calcul.\nC 7 Sep 01 Jeff Dyn Alloc - Use HGRD_DEFN\nC 8 12/18/03 sjr & jp added QG in the water content calc\nC 9 07 Dec 04 J.Young: Vert Dyn Alloc - Use VGRD_DEFN\nC 10 31 Jan 05 J.Young: dyn alloc - establish both horizontal & vertical\nC domain specifications in one module\nC 11 25 Mar 08 sjr fixed bug in the precipitation flux calculation:\nC layer thickness now included in column integrated\nC water content and in precipitation flux \nC calculations (bug reported by Raymond D Wright)\nC 12 12 Aug 10 J.Young: replace CGRID mechanism include files with\nC namelists and merge Shawn Roselle's, Sergey Napelenok's\nC and Steve Howard's aerosol reengineering\nC 13 01 Mar 11 S.Roselle: replaced I/O API include files with UTILIO_DEFN;\nC removed deprecated TRIMLEN\nC 14 11 May D.Wong: incorporated twoway model implementation\nC 15 01 Jul 11 G. Sarwar: calculate zenith angle to determine daytime and \nC nightime needed for sulfur oxidation via metal catalysis\nC 16 02Aug12 S.Roselle: instrumented to calculate and return\nC transmissivity for resolved clouds\nC 07 Nov 14 J.Bash: Updated call to czangle.F for the ASX_DATA_MOD shared data module. \nC 07 May 18 D. Schwede: Removed call to CZANGLE. COSZEN now calculated in ASX_DATA_MOD\nC 26 Nov 18 S. Napelenok: ISAM implementation\nC 1 Feb 19 D. Wong: Implemented centralized I/O approach, removed all MY_N\nC clauses\nC 01 AUG 19 D. Wong: Modified code to work with two-way model\nC 11 Nov 19 F. Sidi: Changed MSTEP to accomdate Centralized I/O changesC \nC 30 Dec 19 S. Napelenok: ddm-3d implementaiton for version 5.3.1\n\n\nC Called by: CLDPROC\n \nC Calls the following subroutines: SCAVWDEP and AQ_MAP\nC-----------------------------------------------------------------------\n\n USE RUNTIME_VARS, ONLY: STM\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE CGRID_SPCS ! CGRID mechanism species\n USE UTILIO_DEFN\n USE AQ_DATA, ONLY: JH2O2_HYDROMETEORS, JHNO3_HYDROMETEORS\n USE AERO_DATA, ONLY : ASO4GAS_IDX, MAP_AERO, AEROSPC_MAP\n USE PRECURSOR_DATA, ONLY: SULF_IDX, PRECURSOR_MAP, MAP_PRECURSOR\n USE ASX_DATA_MOD, ONLY: MET_DATA\n USE PHOT_MOD, ONLY: RJ, RJ_RES, RJ_SUB, LH2O2, LHNO3\n USE CENTRALIZED_IO_MODULE\n#ifdef isam\n USE SA_DEFN, ONLY: ISAM, NSPC_SA, NTAG_SA, MAP_SAtoCGR, OTHRTAG, \n & ISAM_SPEC, DEPSUM_SAVE, DS4_SAVE, REMOV_SAVE,\n & ITAG,TOT_SADEP,\n & DEPSUM_AORGC_SAVE, DGLY1_SAVE, DMGLY1_SAVE,\n & REMOV_AORGC_SAVE\n#endif\n\n#ifdef sens\n USE DDM3D_DEFN, ONLY: SENGRID, NP, NPMAX, S_CONDEP, S_POLC, \n & S_CEND, S_REMOV, S_REMOVAC, S_CONDEP, \n & S_TOTDEP\n#endif \n\n#ifdef mpas\n use util_module, only : nextime, sec2time, TIME2SEC, currstep\n#endif\n\n IMPLICIT NONE\n\nC...........Includes:\n\n INCLUDE SUBST_CONST ! constants\n INCLUDE SUBST_FILES_ID ! file name parameters\n\nC...........Arguments:\n REAL, INTENT( INOUT ) :: CGRD( :,:,:,: ) ! concentrations\n INTEGER, INTENT( IN ) :: JDATE ! current model date, coded YYYYDDD\n INTEGER, INTENT( IN ) :: JTIME ! current model time, coded HHMMSS\n INTEGER, INTENT( IN ) :: TSTEP( 3 ) ! model time steps, coded HHMMSS\n REAL, INTENT( INOUT ) :: DEP( :,:,: ) ! wet deposition\n REAL, INTENT( OUT ) :: RESTRANS( :,: ) ! resolved cloud transmissivity\n\n CHARACTER( 120 ) :: XMSG = ' ' ! Exit status message\n\nC...........Parameters:\n REAL, PARAMETER :: PERMIN_TO_PERSEC = 1.0 / 60.0\n REAL, PARAMETER :: GPKG = 1.0E+03 ! g/kg\n REAL, PARAMETER :: M2PHA = 1.0E+04 ! 1 hectare = 1.0e4 m**2\n REAL, PARAMETER :: M2PHA_OVER_GPKG = M2PHA / GPKG\n\nC Number of species in CGRID\n INTEGER, SAVE :: MXSPCS\n\n\nC...........Local Variables:\n\n LOGICAL, SAVE :: FIRSTIME = .TRUE. ! flag for first pass thru\n\n CHARACTER( 16 ), SAVE :: PNAME = 'RESCLD' ! process name\n CHARACTER( 16 ), SAVE :: VNAME_RN\n\n INTEGER COL ! column loop counter\n INTEGER ROW ! row loop counter\n INTEGER LAY ! layer loop counter\n INTEGER FINI ! ending position\n INTEGER MDATE ! process date (yyyyddd)\n INTEGER, SAVE :: MSTEP ! met file time step (hhmmss)\n INTEGER MTIME ! process time (hhmmss)\n INTEGER, SAVE :: SDATE ! met file start date\n INTEGER SPC ! liquid species loop counter\n INTEGER STRT ! starting position\n INTEGER, SAVE :: STIME ! met file start time\n INTEGER TCLD ! cloud lifetime (sec)\n INTEGER VAR ! variable loop counter\n INTEGER ALLOCSTAT ! memory allocation status\n INTEGER I\n\n REAL AIRM ! total airmass (mol/m2) in cloudy air\n REAL ALFA0 ! aitken mode number scavenging coef\n REAL ALFA2 ! aitken mode sfc area scavenging coef\n REAL ALFA3 ! aitken mode mass scavenging coef\n REAL CTHK1 ! cloud thickness (m)\n REAL METSTEP ! timestep on the met file (hr)\n SAVE METSTEP\n REAL PBARC ! mean cloud pressure (Pa)\n REAL PRATE1 ! storm rainfall rate (mm/hr)\n REAL QCRGCOL ! vert column integrated liquid water content\n REAL QCRISGCOL ! vert column integrated total water content\n REAL QRSGCOL ! vert column integrated precip content\n REAL QCICOL ! vert column integrated cloud content\n REAL RAIN ! non-conv rainfall rate (mm/hr)\n REAL REMOVAC ! variable storing H+ deposition\n REAL TAUCLD ! cloud lifetime (sec)\n REAL TBARC ! mean cloud temp (K)\n REAL WCBAR ! liq water content of cloud (kg/m3)\n REAL WPBAR ! precipitation water content (kg/m3)\n REAL WTBAR ! total water content of cloud (kg/m3)\n REAL LWP, CLOD\n\n REAL, ALLOCATABLE, SAVE :: POLC ( : ) ! incloud conc (mol/mol)\n REAL, ALLOCATABLE, SAVE :: CEND ( : ) ! ending conc (mol/mol)\n REAL, ALLOCATABLE, SAVE :: REMOV( : ) ! moles/m2 or mm*mol/lit scavenged\n\n REAL RN ( NCOLS, NROWS ) ! non-convective rainfall (cm)\n REAL DENS ( NCOLS, NROWS, NLAYS ) ! air density (kg/m3)\n REAL DZZ ( NCOLS, NROWS, NLAYS ) ! layer thickness (m)\n REAL PRES ( NCOLS, NROWS, NLAYS ) ! air pressure (Pa)\n REAL QC ( NCOLS, NROWS, NLAYS ) ! cloud water content (kg/kg)\n REAL QG ( NCOLS, NROWS, NLAYS ) ! graupel content (kg/kg)\n REAL QI ( NCOLS, NROWS, NLAYS ) ! ice content (kg/kg)\n REAL QR ( NCOLS, NROWS, NLAYS ) ! rain water content (kg/kg)\n REAL QS ( NCOLS, NROWS, NLAYS ) ! snow content (kg/kg)\n REAL TA ( NCOLS, NROWS, NLAYS ) ! air temperature (K)\n REAL ZF ( NCOLS, NROWS, NLAYS ) ! level/layer-face height (m)\n\nC Gridded meteorology data:\nC Latitude and longitude for zenith angle calculation: Golam Sarwar * July 1, 2011 \n REAL COSZ ! local cosine of zenith angle\n REAL JH2O2 ! H2O2 photolysis rate, 1/min \n REAL JHNO3 ! HNO3 photolysis rate, 1/min \n\n#ifdef isam\n INTEGER, SAVE :: S_SO2, S_SO4J, S_SULF\n INTEGER, SAVE :: C_SO2, C_SO4J, C_SULF\n REAL, ALLOCATABLE, SAVE :: SA_POLC ( :,: )\n REAL, ALLOCATABLE, SAVE :: SA_CEND ( :,: )\n INTEGER :: CSPC\n REAL, ALLOCATABLE, SAVE :: SA_DS4 ( : )\n REAL :: SA_SUM\n REAL, ALLOCATABLE, SAVE :: SA_REMOV ( :,: )\n INTEGER, SAVE :: S_GLY, S_MGLY, S_AORGCJ\n INTEGER, SAVE :: C_GLY, C_MGLY, C_AORGCJ\n REAL, ALLOCATABLE, SAVE :: SA_DCSOA_GLY ( : )\n REAL, ALLOCATABLE, SAVE :: SA_DCSOA_MGLY ( : )\n#endif\n\nC...........External Functions:\n\n INTERFACE\n SUBROUTINE SCAVWDEP ( JDATE, JTIME, WTBAR, WCBAR, TBARC, PBARC,\n & CTHK1, AIRM, PRATE1, TAUCLD, POLC, CEND,\n & REMOV, REMOVAC, ALFA0, ALFA2, ALFA3 )\n INTEGER, INTENT( IN ) :: JDATE, JTIME\n REAL, INTENT( IN ) :: WTBAR, WCBAR, TBARC, PBARC,\n & CTHK1, AIRM, PRATE1, TAUCLD\n REAL, INTENT( IN ) :: POLC ( : )\n REAL, INTENT( OUT ) :: REMOVAC\n REAL, INTENT( OUT ) :: CEND( : ), REMOV( : )\n REAL, INTENT( OUT ) :: ALFA0, ALFA2, ALFA3\n END SUBROUTINE SCAVWDEP\n SUBROUTINE AQ_MAP( JDATE, JTIME, WTBAR, WCBAR, TBARC, PBARC,\n & CTHK1, AIRM, PRATE1, TAUCLD, POLC, CEND,\n & REMOV, REMOVAC, ALFA0, ALFA2, ALFA3, COSZ )\n INTEGER, INTENT( IN ) :: JDATE, JTIME\n REAL, INTENT( IN ) :: WTBAR, WCBAR, TBARC, PBARC,\n & CTHK1, AIRM, PRATE1, TAUCLD\n REAL, INTENT( IN ) :: POLC ( : )\n REAL, INTENT( INOUT ) :: REMOVAC\n REAL, INTENT( INOUT ) :: CEND( : ), REMOV( : )\n REAL, INTENT( IN ) :: ALFA0, ALFA2, ALFA3, COSZ\t\n END SUBROUTINE AQ_MAP\n END INTERFACE\nC-----------------------------------------------------------------------\n\nC...Initialization\n\n IF ( FIRSTIME ) THEN\n\n FIRSTIME = .FALSE.\n\nC...Sulfur tracking\n IF ( STM ) THEN\n CALL MAP_AERO()\n CALL MAP_PRECURSOR()\n END IF\n\n IF (RNA_AVAIL) THEN\n VNAME_RN = 'RNA'\n ELSE\n VNAME_RN = 'RN'\n END IF\n\nC...store met file time, date, and step information and compute\nC... the met timestep in hours\n\n SDATE = cio_model_sdate\n STIME = cio_model_stime\n MSTEP = file_tstep(f_met)\n\n METSTEP = FLOAT( TIME2SEC( MSTEP ) ) / 3600.0\n\n if ( .not. QI_AVAIL) then\n write (logdev, '(a)') 'Parameter QI (cloud ice) was not found on file '\n WRITE( LOGDEV, '(3(/10X,A),(/10X,3(A,1X)),(/10X,A))' )\n & 'YOU SHOULD VERIFY that the cloud microphysics scheme used',\n & 'in the Meteorological Model did not include ice/snow. If',\n & 'it did, then you need to reprocess the meteorological data',\n & 'through MCIP and pass QI to file ',\n & TRIM( MET_CRO_3D ), ' to avoid',\n & 'errors in the wet deposition.'\n WRITE( LOGDEV, '((/5X,A),/)' )\n & 'Processing will continue with QI set to ZERO. <<---<<'\n END IF\n\n if ( .not. QS_AVAIL) then\n write (logdev, '(a)') 'Parameter QS (snow) was not found on file '\n WRITE( LOGDEV, '(3(/10X,A),(/10X,3(A,1X)),(/10X,A))' )\n & 'YOU SHOULD VERIFY that the cloud microphysics scheme used',\n & 'in the Meteorological Model did not include ice/snow. If',\n & 'it did, then you need to reprocess the meteorological data',\n & 'through MCIP and pass QS to file ',\n & TRIM( MET_CRO_3D ), ' to avoid',\n & 'errors in the wet deposition.'\n WRITE( LOGDEV, '((/5X,A),/)' )\n & 'Processing will continue with QS set to ZERO. <<--<<'\n END IF\n\n MXSPCS = N_GC_SPCD + N_AE_SPC + N_NR_SPC + N_TR_SPC\n\n ALLOCATE ( CEND ( MXSPCS ),\n & POLC ( MXSPCS ),\n & REMOV( MXSPCS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating CEND, POLC or REMOV'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n#ifdef isam\n! move all this somewhere else eventually\n\n S_SO2 = INDEX1( 'SO2', NSPC_SA, ISAM_SPEC(:,OTHRTAG) )\n S_SO4J = INDEX1( 'ASO4J', NSPC_SA, ISAM_SPEC(:,OTHRTAG) )\n S_SULF = INDEX1( 'SULF', NSPC_SA, ISAM_SPEC(:,OTHRTAG) )\n\n C_SO2 = INDEX1( 'SO2', N_GC_SPC, GC_SPC )\n C_SO4J = INDEX1( 'ASO4J', N_AE_SPC, AE_SPC ) + 1 + N_GC_SPC\n C_SULF = INDEX1( 'SULF', N_GC_SPC, GC_SPC )\n\n ALLOCATE ( SA_POLC ( NSPC_SA, NTAG_SA ),\n & SA_CEND ( NSPC_SA, NTAG_SA ),\n & SA_DS4 ( NTAG_SA ),\n & SA_REMOV ( NSPC_SA, NTAG_SA ),\n & STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating SA_POLC or SA_CEND'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n S_GLY = INDEX1( 'GLY', NSPC_SA, ISAM_SPEC(:,OTHRTAG) )\n S_MGLY = INDEX1( 'MGLY', NSPC_SA, ISAM_SPEC(:,OTHRTAG) )\n S_AORGCJ = INDEX1( 'AORGCJ', NSPC_SA, ISAM_SPEC(:,OTHRTAG) )\n\n C_GLY = INDEX1( 'GLY', N_GC_SPC, GC_SPC )\n C_MGLY = INDEX1( 'MGLY', N_GC_SPC, GC_SPC )\n C_AORGCJ = INDEX1( 'AORGCJ', N_AE_SPC, AE_SPC ) + 1 + N_GC_SPC\n ALLOCATE ( SA_DCSOA_GLY ( NTAG_SA ),\n & SA_DCSOA_MGLY ( NTAG_SA ),\n & STAT = ALLOCSTAT )\n#endif\n\n#ifdef sens\n IF ( .NOT. ALLOCATED( S_CEND ) ) ALLOCATE ( S_CEND ( NPMAX, MXSPCS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating S_CEND'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n IF ( .NOT. ALLOCATED( S_POLC ) ) ALLOCATE ( S_POLC ( NPMAX, MXSPCS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating S_POLC'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n IF ( .NOT. ALLOCATED( S_REMOV ) ) ALLOCATE ( S_REMOV ( NPMAX, MXSPCS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating S_REMOV'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n IF ( .NOT. ALLOCATED( S_REMOVAC ) ) ALLOCATE ( S_REMOVAC ( NPMAX ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating S_REMOVAC'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF \n S_REMOVAC = 0.0\n#endif\n\n END IF ! FIRSTIME\n\n MDATE = JDATE\n MTIME = JTIME\n\nC...set the cloud lifetime (=adv timestep)\n\n TCLD = TIME2SEC( TSTEP( 2 ) )\n TAUCLD = REAL( TCLD )\n\nC...set time to the midpoint of this timestep for data interpolation\n\n CALL NEXTIME ( MDATE, MTIME, SEC2TIME( TCLD / 2 ) )\n\nC...Actual Science Process (loop on internal process time steps):\nC... Interpolate time dependent layered input variables\nC... (reading those variables for which it is necessary)\n\nC... Get ambient temperature (K)\n\n call interpolate_var ('TA', mdate, mtime, TA)\n\nC...Get resolved cloud water mixing ratio (kg H2O / kg air)\n\n call interpolate_var ('QC', MDATE, MTIME, QC )\n\nC...Get resolved rain water mixing ratio (kg H2O / kg air)\n\n call interpolate_var ('QR', MDATE, MTIME, QR )\n\nC...read resolved ice mixing ratio (kg H2O / kg air) from the met\nC... file if it is available\n\n IF ( QI_AVAIL ) THEN\n\n call interpolate_var ('QI', MDATE, MTIME, QI )\n\n ELSE\n\n QI = 0.0 ! otherwise fill the array with zeros\n\n END IF\n\nC...read resolved snow mixing ratio (kg H2O / kg air) from the met\nC... file if it is available\n\n IF ( QS_AVAIL ) THEN\n\n call interpolate_var ('QS', MDATE, MTIME, QS )\n\n ELSE\n\n QS = 0.0 ! otherwise fill the array with zeros\n\n END IF\n\nC...read graupel mixing ratio (kg H2O / kg air) from the met\nC... file if it is available\n\n IF ( QG_AVAIL ) THEN\n\n call interpolate_var ('QG', MDATE, MTIME, QG )\n\n ELSE\n\n QG = 0.0 ! otherwise fill the array with zeros\n\n END IF\n\nC...Get level heights / layer faces (m)\n\n call interpolate_var ('ZF', MDATE, MTIME, ZF )\n\nC...Get pressure (Pa)\n\n call interpolate_var ('PRES', MDATE, MTIME, PRES )\n\nC...Get air density (kg/m3)\n\n call interpolate_var ('DENS', MDATE, MTIME, DENS )\n\nC...compute layer thicknesses (m)\n\n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n DZZ( COL, ROW, 1 ) = ZF( COL, ROW, 1 )\n DO LAY = 2, NLAYS\n DZZ( COL, ROW, LAY ) = ZF( COL, ROW, LAY )\n & - ZF( COL, ROW, LAY - 1 )\n END DO\n END DO\n END DO\n\nC...advance the MDATE and MTIME to the next time on the met file\nC... to get ready to read the precipitation amounts.\nC... Precipitation data WILL NOT BE INTERPOLATED! Precipitation data\nC... on the input file are amounts within the metfiles timestep.\n\n IF ( .NOT. CURRSTEP( JDATE, JTIME, SDATE, STIME, MSTEP,\n & MDATE, MTIME ) ) THEN\n XMSG = 'Cannot get step-starting date and time'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT3 )\n END IF\n\n CALL NEXTIME ( MDATE, MTIME, MSTEP ) ! set mdate:mtime to the hour\n\nC...Get nonconvective precipitation amount (cm)\n\n call interpolate_var (VNAME_RN, MDATE, MTIME, RN )\n\nC...Loop through all grid cells\n\n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n\nC...Convert the rainfall into a rainfall rate (mm/hr)\n\n RAIN = 10.0 * RN( COL, ROW ) / METSTEP\n\n IF ( RAIN .LT. 0.0 ) THEN\n XMSG = 'NEGATIVE RAIN...PROBABLE BAD MET DATA...'\n & // MET_CRO_2D\n CALL M3EXIT ( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n\nC...calculate the integrated column cloud+rain water content\nC... JP & SJR: treat graupel as rainwater until we have a more\nC... advanced cloud microphysics scheme\nC... include layer thickness in the column integration\n\n QCRGCOL = 0.0\n QCRISGCOL = 0.0\n QRSGCOL = 0.0\n QCICOL = 0.0\n DO LAY = 1, NLAYS\n QC( COL, ROW, LAY ) = MAX( QC( COL, ROW, LAY ), 0.0 )\n QR( COL, ROW, LAY ) = MAX( QR( COL, ROW, LAY ), 0.0 )\n QI( COL, ROW, LAY ) = MAX( QI( COL, ROW, LAY ), 0.0 )\n QS( COL, ROW, LAY ) = MAX( QS( COL, ROW, LAY ), 0.0 )\n QG( COL, ROW, LAY ) = MAX( QG( COL, ROW, LAY ), 0.0 )\n QCRGCOL = QCRGCOL + DENS( COL, ROW, LAY )\n & * DZZ( COL, ROW, LAY )\n & * ( QC( COL, ROW, LAY ) + QR( COL, ROW, LAY )\n & + QG( COL, ROW, LAY ) )\n QCRISGCOL = QCRISGCOL + DENS( COL, ROW, LAY )\n & * DZZ( COL, ROW, LAY )\n & * ( QC( COL, ROW, LAY ) + QR( COL, ROW, LAY )\n & + QI( COL, ROW, LAY ) + QS( COL, ROW, LAY )\n & + QG( COL, ROW, LAY ) )\n QRSGCOL = QRSGCOL + DENS( COL, ROW, LAY )\n & * DZZ( COL, ROW, LAY )\n & * ( QR( COL, ROW, LAY ) + QS( COL, ROW, LAY )\n & + QG( COL, ROW, LAY ) )\n QCICOL = QCICOL + DENS( COL, ROW, LAY )\n & * DZZ( COL, ROW, LAY )\n & * ( QC( COL, ROW, LAY ) + QI( COL, ROW, LAY ) )\n END DO\n\nC...Calculate the cloud optical depth using a formula derived from\nC... Stephens (1978), JAS(35), pp2111-2132.\nC... only calculate the cloud optical depth when the liquid water\nC... path is >= 10 g/m2\n\n LWP = QCICOL * 1000.0 ! converts to g/m2\n IF ( LWP .GE. 10.0 ) THEN\n CLOD = 10.0**( 0.2633 + 1.7095 * LOG( LOG10( LWP ) ) )\n ELSE\n CLOD = 0.0\n END IF\n\nC...If no cloud or optical depth < 5, set clear sky values.\nC... (i.e. don't do anything)\n\n IF ( CLOD .GE. 5.0 ) THEN\n\n RESTRANS( COL, ROW ) = ( 5.0 - EXP ( -CLOD ) ) / ( 4.0 + 0.42 * CLOD )\n \n END IF\n\nC...loop through layers\n\n IF ( QCRGCOL .GT. 0.0 ) THEN\n DO LAY = 1, NLAYS\n\nC...Compute cloud quantities\n\n IF ( ( QC( COL, ROW, LAY ) + QR( COL, ROW, LAY )\n & + QG( COL, ROW, LAY ) ) .GT. 0.00005 ) THEN\n\n TBARC = TA( COL, ROW, LAY )\n\n PBARC = PRES( COL, ROW, LAY )\n\n CTHK1 = DZZ( COL, ROW, LAY )\n\n AIRM = PBARC * CTHK1 * 1.0E3 / ( RDGAS * MWAIR * TBARC )\n\n WCBAR = ( QC( COL, ROW, LAY ) + QR( COL, ROW, LAY )\n & + QG( COL, ROW, LAY ) ) * DENS( COL, ROW, LAY )\n\n WTBAR = ( QC( COL, ROW, LAY ) + QR( COL, ROW, LAY )\n & + QI( COL, ROW, LAY ) + QS( COL, ROW, LAY ) \n & + QG( COL, ROW, LAY ) ) * DENS( COL, ROW, LAY )\n\nC...Compute precipitation flux\nC... include layer thickness in the calculation\n\n IF ( QRSGCOL .GT. 0.0 ) THEN\n WPBAR = ( QR( COL, ROW, LAY ) + QS( COL, ROW, LAY )\n & + QG( COL, ROW, LAY ) ) * DENS( COL, ROW, LAY )\n PRATE1 = RAIN * WPBAR * CTHK1 / QRSGCOL ! convert to mm/hr\n ELSE\n PRATE1 = RAIN * WTBAR * CTHK1 / QCRISGCOL ! convert to mm/hr\n END IF\n\nC...Finally, get in-cloud pollutant concentrations in moles sp\nC... per mole air\n\n DO SPC = 1, NSPCSD\n POLC ( SPC ) = CGRD( COL, ROW, LAY, SPC )\n CEND ( SPC ) = POLC( SPC )\n REMOV( SPC ) = 0.0\n END DO\n\n#ifdef isam\n DO SPC = 1, NSPC_SA\n DO ITAG = 1, NTAG_SA\n SA_POLC( SPC, ITAG ) = ISAM( COL,ROW,LAY,SPC,ITAG )\n SA_CEND( SPC, ITAG ) = SA_POLC( SPC, ITAG )\n SA_REMOV( SPC, ITAG ) = 0.0\n END DO\n END DO\n#endif \n\n#ifdef sens\n DO NP = 1, NPMAX\n DO SPC = 1, NSPCSD\n S_POLC ( NP, SPC ) = SENGRID( COL, ROW, LAY, NP, SPC )\n S_CEND ( NP, SPC ) = S_POLC( NP, SPC)\n S_REMOV( NP, SPC ) = 0.0\n END DO\n END DO\n#endif\n\nC...perform scavenging and aqueous chemistry within the cloud\nC... and re-adjust the ending and removed amounts for those species\nC... that were scavenged or that participated in cloud chemistry\n\n CALL SCAVWDEP ( JDATE, JTIME, WTBAR, WCBAR, TBARC,\n & PBARC, CTHK1, AIRM, PRATE1, TAUCLD,\n & POLC, CEND, REMOV, REMOVAC, ALFA0,\n & ALFA2, ALFA3 )\n\n#ifdef isam\n DO SPC = 1, NSPC_SA\n CSPC = MAP_SAtoCGR(SPC)\n SA_SUM = SUM ( SA_POLC( SPC,: ) )\nc IF ( POLC( CSPC ) .GT. 1.0E-30 .AND. CEND( CSPC ) .GT. 1.0E-09 ) THEN\nc IF ( POLC( CSPC ) .GT. 1.0E-30 ) THEN\n IF ( SA_SUM .GT. 1.0E-25 ) THEN\n DO ITAG = 1, NTAG_SA\n SA_CEND( SPC, ITAG ) = SA_POLC( SPC, ITAG )\n & * ( CEND( CSPC )\nc & / POLC( CSPC ) )\n & / SA_SUM )\n SA_REMOV( SPC, ITAG ) = SA_POLC( SPC, ITAG )\n & * ( REMOV( CSPC )\nc & / POLC( CSPC ) )\n & / SA_SUM )\n END DO\n ELSE ! no update\n DO ITAG = 1, NTAG_SA\n SA_CEND( SPC, ITAG ) = 0.0\n SA_REMOV( SPC, ITAG ) = 0.0\n END DO\n END IF\n END DO\n#endif\n\nC...if the liquid water content is above the specified threshold\nC... then perform the aqueous chemistry within the cloud and\nC... re-adjust the ending and removed amounts for those species\nC... that participated in cloud chemistry\n\n IF ( WCBAR .GT. 1.0E-5 ) THEN\n\nC... calculate cosine of zenith angle for the cell and determine day or night; Golam Sarwar \n\n COSZ = MET_DATA%COSZEN( COL, ROW )\n IF ( COSZ .LE. 0.0 ) THEN \n JH2O2_HYDROMETEORS = 0.0D0\n JHNO3_HYDROMETEORS = 0.0D0\n ELSE\n JH2O2 = RJ_RES( COL, ROW, LAY, LH2O2 )\n JHNO3 = RJ_RES( COL, ROW, LAY, LHNO3 )\n JH2O2_HYDROMETEORS = REAL( JH2O2*PERMIN_TO_PERSEC, 8 )\n JHNO3_HYDROMETEORS = REAL( JHNO3*PERMIN_TO_PERSEC, 8 )\n END IF\n\nC...in aqchem, H2SO4 gas is added to ASO4J\nC... mimic this for the ASO4GASJ tracking species\n IF ( STM ) THEN\n POLC( AEROSPC_MAP( ASO4GAS_IDX, 2 ) ) = POLC( AEROSPC_MAP( ASO4GAS_IDX, 2 ) )\n & + POLC( PRECURSOR_MAP( SULF_IDX ) )\n CEND( AEROSPC_MAP( ASO4GAS_IDX, 2 ) ) = POLC( AEROSPC_MAP( ASO4GAS_IDX, 2 ) )\n END IF\n\n CALL AQ_MAP ( JDATE, JTIME, WTBAR, WCBAR, TBARC,\n & PBARC, CTHK1, AIRM, PRATE1, TAUCLD,\n & POLC, CEND, REMOV, REMOVAC, ALFA0,\n & ALFA2, ALFA3, COSZ )\n\n#ifdef isam\n DO SPC = 1, NSPC_SA ! general case\n CSPC = MAP_SAtoCGR(SPC)\n SA_SUM = SUM ( SA_POLC( SPC,: ) )\n DO ITAG = 1, NTAG_SA\nc IF ( POLC( CSPC ) .GT. 1.0E-30 ) THEN\n IF ( SA_SUM .GT. 1.0E-25 ) THEN\n SA_CEND( SPC, ITAG ) = SA_POLC( SPC,ITAG )\n & * ( CEND( CSPC )\nc & / MAX( 1.0E-25, POLC( CSPC ) ) )\n & / SA_SUM )\n SA_REMOV( SPC, ITAG ) = SA_POLC( SPC, ITAG )\n & * ( REMOV( CSPC )\nc & / MAX( 1.0E-25, POLC( CSPC ) ) )\n & / SA_SUM )\n ELSE !\n SA_CEND( SPC, ITAG ) = 0.0\n SA_REMOV( SPC, ITAG ) = 0.0\n END IF\n END DO\n END DO\n\n IF (S_SO4J .NE. 0 ) THEN ! sulfate case\n\n DO ITAG = 1, NTAG_SA ! sulfate from H2SO4\n SA_DS4( ITAG ) = SA_POLC( S_SULF,ITAG )\n SA_CEND( S_SULF,ITAG ) = 1.0E-30\n END DO\n\n DO ITAG = 1, NTAG_SA\n SA_DS4( ITAG ) = SA_DS4( ITAG ) + DS4_SAVE ! total sulfate produced\n & * SA_POLC( S_SO2,ITAG )\n & / SUM ( SA_POLC( S_SO2,: ) )\n SA_CEND( S_SO4J,ITAG ) = SA_POLC( S_SO4J,ITAG ) ! sulfate before removal\n & + SA_DS4( ITAG )\n END DO\n \n SA_SUM = SUM ( SA_CEND( S_SO4J,: ) ) ! total apportioned sulfate before removal\n\n DO ITAG = 1, NTAG_SA ! final sulfate removal and concentration\n SA_REMOV( S_SO4J,ITAG ) = REMOV_SAVE\n & * SA_CEND( S_SO4J,ITAG )\n & / SA_SUM\n SA_CEND( S_SO4J,ITAG ) = SA_CEND( S_SO4J,ITAG )\n & - DEPSUM_SAVE\n & * SA_CEND( S_SO4J,ITAG )\n & / SA_SUM\n SA_CEND( S_SO4J,ITAG ) = MAX ( SA_CEND( S_SO4J,ITAG ), 1.0E-30 )\n END DO\n \n END IF\n\n IF (S_AORGCJ .NE. 0 ) THEN ! AORGCJ case\n SA_DCSOA_GLY = 0.0\n SA_DCSOA_MGLY = 0.0\n DO ITAG = 1, NTAG_SA\n IF ( S_GLY .NE. 0 ) THEN\n SA_DCSOA_GLY( ITAG ) = DGLY1_SAVE\n & * SA_POLC( S_GLY,ITAG )\n & / MAX( 1.0E-25, SUM ( SA_POLC( S_GLY,: ) ) )\n END IF\n IF ( S_MGLY .NE. 0 ) THEN\n SA_DCSOA_MGLY( ITAG ) = DMGLY1_SAVE\n & * SA_POLC( S_MGLY,ITAG )\n & / MAX( 1.0E-25, SUM ( SA_POLC( S_MGLY,: ) ) )\n END IF\n SA_CEND( S_AORGCJ,ITAG ) = SA_POLC( S_AORGCJ,ITAG ) ! AORGCJ before removal\n & + SA_DCSOA_GLY( ITAG )\n & + SA_DCSOA_MGLY( ITAG )\n END DO\n SA_SUM = MAX( 1.0E-25, SUM ( SA_CEND( S_AORGCJ,: ) ) ) ! total apportioned AORGCJ before removal\n DO ITAG = 1, NTAG_SA ! final AORGCJ removal and concentration\n SA_REMOV( S_AORGCJ,ITAG ) = REMOV_AORGC_SAVE\n & * SA_CEND( S_AORGCJ,ITAG )\n & / SA_SUM\n SA_CEND( S_AORGCJ,ITAG ) = SA_CEND( S_AORGCJ,ITAG )\n & - DEPSUM_AORGC_SAVE\n & * SA_CEND( S_AORGCJ,ITAG )\n & / SA_SUM\n SA_CEND( S_AORGCJ,ITAG ) = MAX ( SA_CEND( S_AORGCJ,ITAG ), 1.0E-30 )\n END DO\n END IF\n#endif\n END IF\n\nC...convert removal change from moles/m**2 to kg/m**2 and kg/m**2 to kg/hectare\n\n DO I = 1,N_CGRID_SPC\n IF ( CGRID_MASK_NUM( I ) .OR.\n & CGRID_MASK_SRF( I ) ) THEN\n ! Aerosol Number (N m-2 -> N ha-1)\n ! Aerosol Surface Area (m2 m-2 -> m2 ha-1)\n REMOV( I ) = REMOV( I ) * M2PHA\n#ifdef sens\n DO NP = 1, NPMAX\n S_REMOV( NP,I ) = S_REMOV( NP,I ) * M2PHA\n END DO\n#endif\n ! ISAM does not track aerosol number or surface\n ! area\n\n ELSE\n ! Gas and Aerosol Mass (moles m-2 -> kg ha-1)\n REMOV( I ) = REMOV( I ) * CGRID_MW( I ) * M2PHA_OVER_GPKG\n#ifdef sens\n DO NP = 1, NPMAX\n S_REMOV( NP,I ) = S_REMOV( NP,I ) * CGRID_MW( I ) * M2PHA_OVER_GPKG\n END DO\n#endif\n#ifdef isam\n CSPC = 0\n CSPC = INDEXINT1(I,NSPC_SA,MAP_SAtoCGR(:))\n IF ( CSPC .GT. 0 ) THEN\n DO ITAG = 1, NTAG_SA\n SA_REMOV( CSPC,ITAG ) = SA_REMOV( CSPC,ITAG ) * CGRID_MW( I )\n & * M2PHA_OVER_GPKG\n END DO\n END IF\n#endif\n END IF\n\n\n END DO\n\nC...load deposition amounts into the DEP array\n\n DO VAR = 1, N_SPC_WDEP\n DEP( COL, ROW, VAR ) = DEP( COL, ROW, VAR )\n & + REMOV( MAP_WDEPtoCGRID( VAR ) )\n END DO\n\nC...load H+ concentration into the deposition array as well\n\n DEP( COL, ROW, N_SPC_WDEP+1 ) =\n & DEP( COL, ROW, N_SPC_WDEP+1 ) + REMOVAC\n \nC...set cgrid to the ending concentrations\n\n DO SPC = 1, NSPCSD\n IF ( SPC .NE. N_GC_SPCD ) THEN\n CGRD( COL, ROW, LAY, SPC ) = CEND( SPC )\n END IF\n END DO\n\n#ifdef isam\n DO SPC = 1, NSPC_SA\n DO ITAG = 1, NTAG_SA\n TOT_SADEP( COL, ROW, SPC, ITAG ) = TOT_SADEP( COL, ROW, SPC, ITAG )\n & + SA_REMOV( SPC, ITAG )\n ISAM( COL,ROW,LAY,SPC,ITAG ) = SA_CEND( SPC, ITAG )\n END DO\n END DO\n#endif\n\n#ifdef sens\n DO NP = 1, NPMAX\n\n DO VAR = 1, N_SPC_WDEP\n S_TOTDEP( COL, ROW, NP, VAR ) = S_TOTDEP( COL, ROW, NP, VAR )\n & + S_REMOV( NP, MAP_WDEPtoCGRID( VAR ) )\n END DO\n\n S_TOTDEP( COL, ROW, NP, N_SPC_WDEP+1 ) =\n & S_TOTDEP( COL, ROW, NP, N_SPC_WDEP+1 ) + S_REMOVAC( NP )\n\n DO SPC = 1, NSPCSD\n IF ( SPC .NE. N_GC_SPCD ) THEN\n SENGRID( COL, ROW, LAY, NP, SPC ) = S_CEND( NP, SPC )\n END IF\n END DO\n\n END DO\n#endif\n\n END IF ! Sum( QC,QR,QG ) > 0.00005 ?\n END DO ! lay\n END IF ! QCRGCOL > 0 ?\n\n END DO ! col\n END DO ! row\n\n RETURN\n\n END\n" }, { "path": "CCTM/src/cloud/acm_ae6/scavwdep.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/CCTM/src/cloud/cloud_acm_ae5/scavwdep.F,v 1.7 2011/10/21 16:10:28 yoj Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE SCAVWDEP ( JDATE, JTIME, WTBAR, WCBAR, TBARC, PBARC,\n & CTHK1, AIRM, PRATE1, TAUCLD, POLC, CEND,\n & REMOV, REMOVAC, ALFA0, ALFA2, ALFA3 )\nC-----------------------------------------------------------------------\nC Description: Compute simplistic incloud scavenging and wet removal\n \nC Revision History:\nC No Date Who What\nC -- -------- --- -----------------------------------------\nC 0 01/15/98 sjr created program\nC 1 07/27/99 sjr added scavenging coefficient scaling factors\nC 3 Dec 00 Jeff move CGRID_MAP into f90 module\nC 4 Dec 02 sjr revised calls to HLCONST\nC 5 Jun 10 J.Young: convert for Namelist redesign\nC 6 Mar 11 S.Roselle: replaced I/O API include files with UTILIO_DEFN;\nC removed deprecated TRIMLEN\nC 6 Mar 11 B.Hutzell: added TRACER string for AE_SPCs to omit while\nC computing Aitken mode mass\nC 1 Dec 15 S.L.Napelenok: ddm-3d implementaiton for version 5.1.1\n \nC Called by: RADMCLD and RESCLD\n \nC Calls the following subroutines: GETALPHA\n \nC Calls the following functions: HLCONST\n \nC Arguments Type I/O Description\nC --------- ------- ------ --------------------------------\nC JDATE integer input current model julian date (yyyyddd)\nC JTIME integer input current model time (hhmmss)\nC WTBAR real input avg total water content (kg/m3)\nC WCBAR real input avg liquid water content (kg/m3)\nC TBARC real input avg cloud temperature (K)\nC PBARC real input avg cloud pressure (Pa)\nC CTHK1 real input cloud thickness (m)\nC AIRM real input total air mass (moles/m2) in cloudy air\nC PRATE1 real input precipitation rate (mm/hr)\nC TAUCLD real input cloud lifetime (s)\nC POLC real input ave vert conc incloud (moles sp/ mole air)\nC CEND real output ending incloud conc (moles/mole)\nC REMOV real output moles/m2 or mm*mol/lit scavenged\nC REMOVAC real output variable storing H+ deposition\nC ALFA0 real output scav coef for aitken aerosol number\nC ALFA2 real output scav coef for aitken mode sfc area\nC ALFA3 real output scav coef for aitken aerosol mass\n \nC-----------------------------------------------------------------------\n\n USE CGRID_SPCS ! CGRID mechanism species\n USE UTILIO_DEFN\n\n#ifdef sens\n USE DDM3D_DEFN, ONLY : NP, NPMAX, S_POLC, S_CEND, S_REMOV, S_REMOVAC\n#endif \n\n IMPLICIT NONE\n\nC...........Includes:\n\n INCLUDE SUBST_CONST ! constants\n\n CHARACTER( 120 ) :: XMSG = ' ' ! Exit status message\n\nC...........Parameters:\n\n REAL, PARAMETER :: H2ODENS = 1000.0 ! density of water at 20 C\n ! and 1 ATM (kg/m3)\n\nC Number of species in CGRID\n INTEGER, SAVE :: MXSPCS\n\nC Number of species scavenged\n INTEGER, SAVE :: N_SPC_SCAV\n\n REAL, PARAMETER :: TWOTHIRDS = 2.0 / 3.0\n\n REAL, PARAMETER :: KGPG = 1.0E-03 ! kilograms per gram\n\nC...........Arguments:\n\n INTEGER, INTENT( IN ) :: JDATE ! current model date, coded YYYYDDD\n INTEGER, INTENT( IN ) :: JTIME ! current model time, coded HHMMSS\n REAL, INTENT( IN ) :: WTBAR ! total wat cont (kg/m2) int. thru cloud depth\n REAL, INTENT( IN ) :: WCBAR ! liq water content of cloud (kg/m3)\n REAL, INTENT( IN ) :: TBARC ! mean cloud temp (K)\n REAL, INTENT( IN ) :: PBARC ! mean cloud pressure (Pa)\n REAL, INTENT( IN ) :: CTHK1 ! aq chem calc cloud thickness\n REAL, INTENT( IN ) :: AIRM ! total air mass (moles/m2) in cloudy air\n REAL, INTENT( IN ) :: PRATE1 ! storm rainfall rate (mm/hr)\n REAL, INTENT( IN ) :: TAUCLD ! cloud lifetime\n REAL, INTENT( OUT ) :: ALFA0 ! scav coef for aitken aerosol number\n REAL, INTENT( OUT ) :: ALFA2 ! scav coef for aitken aerosol sfc area\n REAL, INTENT( OUT ) :: ALFA3 ! scav coef for aitken aerosol mass\n REAL, INTENT( OUT ) :: REMOVAC ! variable storing H+ deposition\n REAL, INTENT( IN ) :: POLC ( : ) ! avg vert conc incloud (moles/mole)\n REAL, INTENT( OUT ) :: CEND ( : ) ! ending incloud conc (moles/mole)\n REAL, INTENT( OUT ) :: REMOV( : ) ! moles/m2 or mm*mol/lit scavenged\n\nC...........Local Variables:\n\n LOGICAL, SAVE :: FIRSTIME = .TRUE. ! flag for first pass thru\n CHARACTER( 16 ), SAVE :: PNAME = 'SCAVWDEP' ! program name\n\n CHARACTER( 16 ), ALLOCATABLE, SAVE :: SCAV_SPC( : ) ! CGRID species scavenged\n INTEGER, ALLOCATABLE, SAVE :: SCAV_MAP( : ) ! CGRID map to scavenged spc\n REAL, ALLOCATABLE, SAVE :: SCAV_FAC( : ) ! CGRID scav coef factors\n LOGICAL, ALLOCATABLE, SAVE :: SCAV_MASK_GAS( : ) ! Mask for Gases on Scav list\n LOGICAL, ALLOCATABLE, SAVE :: SCAV_MASK_AERO( : ) ! Mask for Aerosols on Scav list\n LOGICAL, ALLOCATABLE, SAVE :: SCAV_MASK_AITKEN( : )! Mask for Aitken PM on Scav list\n LOGICAL, ALLOCATABLE, SAVE :: SCAV_MASK_NUM( : ) ! Mask for Aero Number on Scav list\n LOGICAL, ALLOCATABLE, SAVE :: SCAV_MASK_SRF( : ) ! Mask for Aero Surface on Scav list\n LOGICAL, ALLOCATABLE, SAVE :: SCAV_MASK_NR( : ) ! Mask for Non-Reactives on Scav list\n LOGICAL, ALLOCATABLE, SAVE :: SCAV_MASK_TRAC( : ) ! Mask for Tracers on Scav list\n INTEGER, ALLOCATABLE, SAVE :: L_NUMAKN( : ) ! pointers to aitken aerosol #\n INTEGER, ALLOCATABLE, SAVE :: L_MASAKN( : ) ! pointers to aitken aerosols\n INTEGER, ALLOCATABLE, SAVE :: L_SRFAKN( : ) ! pntrs to aitken aerosol surface area\n INTEGER ASTAT\n\n INTEGER I\n INTEGER, SAVE :: N_NUMAKN ! # aitken aerosol number species\n INTEGER, SAVE :: N_MASAKN ! # aitken aerosol mass species\n INTEGER, SAVE :: N_SRFAKN ! # aitken aerosol sfc area species\n INTEGER PNTR ! relative pointer variable\n INTEGER SPC ! liquid species loop counter\n INTEGER VAR ! variable loop counter\n\n REAL ALFA ! scavenging coefficient (1/s)\n REAL KH ! Henry's law constant (mol/l/atm)\n REAL NUMAKN ! Aitken mode aerosol # (#/m3)\n REAL MASAKN ! Total Aitken mode mass (ug/m3)\n REAL(8) MASAKN_D ! Double-precision verson of MASAKN\n REAL SRFAKN\n REAL ONE_OVER_TWASH ! 1 / TWASH\n REAL, SAVE :: HPLUS = 1.0E-4 ! typical value hydrogen ion concentration [mol/l]\n REAL RHOAIR ! air density in kg/m3\n REAL RTCH ! chemical gas const times temp\n REAL TWASH ! washout time for clouds (sec) with low liq wat content\n REAL TWF ! washout scaling factor (mol/l/atm)\n\nC...........External Functions:\n\n INTEGER, EXTERNAL :: INDEXN\n REAL, EXTERNAL :: HLCONST\n\nC-----------------------------------------------------------------------\n\nC...INITIALIZATION SCAVWDEP module:\nC... event-statistics variables. Open output files.\n\n IF ( FIRSTIME ) THEN\n\n FIRSTIME = .FALSE.\n\n N_SPC_SCAV = N_GC_SCAV + N_AE_SCAV + N_NR_SCAV + N_TR_SCAV\n\nC...first check to make sure that some species in CGRID were specified\nC... for scavenging, otherwise notify the user and return\n\n IF ( N_SPC_SCAV .LE. 0 ) THEN\n XMSG = 'No species were specified for scavenging by cloud ' //\n & 'or rain water...SCAVENGING WILL NOT BE PERFORMED!'\n CALL M3WARN ( PNAME, JDATE, JTIME, XMSG )\n RETURN\n END IF\n\n ALLOCATE ( SCAV_SPC( N_SPC_SCAV ),\n & SCAV_MAP( N_SPC_SCAV ),\n & SCAV_FAC( N_SPC_SCAV ),\n & SCAV_MASK_GAS( N_SPC_SCAV ),\n & SCAV_MASK_AERO( N_SPC_SCAV ),\n & SCAV_MASK_AITKEN( N_SPC_SCAV ),\n & SCAV_MASK_NUM( N_SPC_SCAV ),\n & SCAV_MASK_SRF( N_SPC_SCAV ),\n & SCAV_MASK_NR( N_SPC_SCAV ),\n & SCAV_MASK_TRAC( N_SPC_SCAV ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating SCAV_SPC, SCAV_MAP or SCAV_FAC'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n MXSPCS = N_GC_SPCD + N_AE_SPC + N_NR_SPC + N_TR_SPC\n\n ALLOCATE ( L_NUMAKN( MXSPCS ),\n & L_MASAKN( MXSPCS ),\n & L_SRFAKN( MXSPCS ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating L_NUMAKN, L_MASAKN or L_SRFAKN'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\nC...prepare indices for scavenged species\n SCAV_SPC = ''\n SCAV_MAP = 0\n SCAV_FAC = 0\n SCAV_MASK_GAS = .FALSE.\n SCAV_MASK_AERO = .FALSE.\n SCAV_MASK_AITKEN = .FALSE.\n SCAV_MASK_NUM = .FALSE.\n SCAV_MASK_SRF = .FALSE.\n SCAV_MASK_NR = .FALSE.\n SCAV_MASK_TRAC = .FALSE.\n\nC... load the CGRID to scavenged species pointers for the gases\n SPC = 0\n DO VAR=1, N_GC_SCAV\n SPC = SPC + 1\n SCAV_SPC( SPC ) = GC_SCAV( VAR )\n SCAV_MAP( SPC ) = GC_SCAV_MAP( VAR ) + GC_STRT - 1\n SCAV_FAC( SPC ) = GC_SCAV_FAC( VAR )\n SCAV_MASK_GAS( SPC ) = .TRUE.\n END DO\n\nC... load the CGRID to scavenged species pointers for the aerosols\n\n DO VAR=1, N_AE_SCAV\n SPC = SPC + 1\n SCAV_SPC( SPC ) = AE_SCAV( VAR )\n SCAV_MAP( SPC ) = AE_SCAV_MAP( VAR ) + AE_STRT - 1\n SCAV_FAC( SPC ) = AE_SCAV_FAC( VAR )\n IF ( INDEX( SCAV_SPC( SPC ), 'NUM' ) .NE. 0 ) SCAV_MASK_NUM( SPC ) = .TRUE.\n IF ( INDEX( SCAV_SPC( SPC ), 'SRF' ) .NE. 0 ) SCAV_MASK_SRF( SPC ) = .TRUE.\n IF ( INDEX( SCAV_SPC( SPC ), 'AITKEN' ) .NE. 0 ) SCAV_MASK_AITKEN( SPC ) = .TRUE.\n SCAV_MASK_AERO( SPC ) = .TRUE.\n END DO\n\nC... load the CGRID to scavenged species pointers for the non-reactives\n\n DO VAR=1, N_NR_SCAV\n SPC = SPC + 1\n SCAV_SPC( SPC ) = NR_SCAV( VAR )\n SCAV_MAP( SPC ) = NR_SCAV_MAP( VAR ) + NR_STRT - 1\n SCAV_FAC( SPC ) = NR_SCAV_FAC( VAR )\n SCAV_MASK_NR( SPC ) = .TRUE.\n END DO\n\nC... load the CGRID to scavenged species pointers for the tracers\n\n DO VAR=1, N_TR_SCAV\n SPC = SPC + 1\n SCAV_SPC( SPC ) = TR_SCAV( VAR )\n SCAV_MAP( SPC ) = TR_SCAV_MAP( VAR ) + TR_STRT - 1\n SCAV_FAC( SPC ) = TR_SCAV_FAC( VAR )\n SCAV_MASK_TRAC( SPC ) = .TRUE.\n END DO\n\nC...create the pointers from CGRID to the species needed by AQCHEM\n N_NUMAKN = INDEXN( 'NUM_AITKEN', N_SPC_SCAV, SCAV_SPC, L_NUMAKN )\n N_MASAKN = INDEXN( 'AITKEN ', N_SPC_SCAV, SCAV_SPC, L_MASAKN )\n N_SRFAKN = INDEXN( 'SRF_AITKEN', N_SPC_SCAV, SCAV_SPC, L_SRFAKN )\n\n END IF\n\nC...for subsequent calls, check to make sure some species were\nC... specified, otherwise there is no need to perform scavenging\n\n IF ( N_SPC_SCAV .LE. 0 ) RETURN\n\n RTCH = ( MOLVOL / STDTEMP ) * TBARC\n TWASH = WTBAR * 1000.0 * CTHK1 * 3600.0\n & / ( H2ODENS * AMAX1( 1.0E-20, PRATE1 ) )\nccc TWASH = AMAX1( TWASH, TAUCLD / 60.0 ) ! m3/kmol_air\n DO IMODE = 2, N_MODE\n IF ( M3NEW( IMODE ) .GT. 0.0D0 ) THEN ! Dens_wmean_new will be .GT. 0 also\n Dens_wmean_new( IMODE ) = Dens_wmean_new( IMODE ) / M3NEW( IMODE )\n M3OLD( IMODE ) = MAX( M3OLD( IMODE ), CONMIND * 1.0d-6 / ( Dens_wmean_old( IMODE ) * AIRM / CTHK1 ) )\n M3NEW( IMODE ) = MAX( M3NEW( IMODE ), CONMIND * 1.0d-6 / ( Dens_wmean_new( IMODE ) * AIRM / CTHK1 ) )\n END IF\n END DO\n\nC...Update surface area\n\n CEND( AEROSRF_MAP( 1 ) ) = POLC( AEROSRF_MAP( 1 ) ) * EALFA2T\n CEND( AEROSRF_MAP( 1 ) ) = MAX( CEND( AEROSRF_MAP( 1 ) ), aeromode_minM2( 1 ) * PI / (AIRM/CTHK1) )\n \n CEND( AEROSRF_MAP( 2 ) ) = POLC( AEROSRF_MAP( 2 ) )\n & * EXP( -BETASO4 * TAUCLD * ONETHIRD )\n & * ( M3NEW( 2 ) / M3OLD( 2 ) ) ** TWOTHIRDS\n CEND( AEROSRF_MAP( 2 ) ) = MAX( CEND( AEROSRF_MAP( 2 ) ), aeromode_minM2( 2 ) * PI / (AIRM/CTHK1) )\n\n CEND( AEROSRF_MAP( 3 ) ) = POLC( AEROSRF_MAP( 3 ) )\n & * ( CEND( AERONUM_MAP( 3 ) )\n & / POLC( AERONUM_MAP( 3 ) ) ) ** ONETHIRD\n & * ( M3NEW( 3 ) / M3OLD( 3 ) ) ** TWOTHIRDS\n CEND( AEROSRF_MAP( 3 ) ) = MAX( CEND( AEROSRF_MAP( 3 ) ), aeromode_minM2( 3 ) * PI / (AIRM/CTHK1) )\n\n RETURN\n END\n\n" }, { "path": "CCTM/src/cloud/acm_ae6_mp/aqchem.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE AQCHEM ( JDATE, JTIME, TEMP, PRES_PA, TAUCLD, PRCRATE,\n & WCAVG, WTAVG, AIRM, ALFA0, ALFA2, ALFA3, GAS,\n & AEROSOL, GASWDEP, AERWDEP, HPWDEP, BETASO4, DARK,\n & FRACTR, FRACPOA, FRACPRI, FRACSOA )\n\nC-----------------------------------------------------------------------\nC Description:\nC Compute concentration changes in cloud due to aqueous chemistry,\nC scavenging and wet deposition amounts.\nC\nC Revision History:\nC No Date Who What\nC -- -------- --- -----------------------------------------\nC 0 / /86 CW BEGIN PROGRAM - Walceks's Original Code\nC 1 / /86 RB INCORPORATE INTO RADM\nC 2 03/23/87 DH REFORMAT\nC 3 04/11/88 SJR STREAMLINED CODE - ADDED COMMENTS\nC 4 08/27/88 SJR COMMENTS, MODIFIED FOR RPM\nC 4a 03/15/96 FSB Scanned hard copy to develop Models3\nC Version.\nC 5 04/24/96 FSB Made into Models3 Format\nC 6 02/18/97 SJR Revisions to link with Models3\nC 7 08/12/97 SJR Revised for new concentration units (moles/mole)\nC and new treatment of nitrate and nitric acid\nC 8 01/15/98 sjr revised to add new aitken mode scavenging\nC and aerosol number scavenging\nC 9 12/15/98 David Wong at LM:\nC -- change division of XL, TEMP to multiplication of XL, TEMP\nC reciprocal, respectively\nC -- change / TOTOX / TSIV to / ( TOTOX * TSIV )\nC 10 03/18/99 David Wong at LM:\nC -- removed \"* 1.0\" redundant calculation at TEMP1 calculation\nC 11 04/27/00 sjr Added aerosol surface area as modeled species\nC 12 12/02 sjr changed calls to HLCONST and updated the dissociation\nC constants\nC 13 06/26/03 sjr revised calculations of DTW based on CMAS website\nC discussions\nC 14 08/05/03 sjr revision made to the coarse aerosol number washout\nC 15 04/20/05 us revisions to add sea salt species in the fine and\nC coarse aerosol modes, and HCl dissolution/dissociation\nC 16 10/13/05 sjr fixed bug in the integration time step calculation\nC (reported by Bonyoung Koo)\nC 17 03/01/06 sjr added elemental carbon aerosol; organic aerosols\nC replaced with primary, secondary biogenic, and\nC secondary anthropogenic; fixed 3rd moment calc to\nC include EC and primary organics (not secondary);\nC re-arranged logic for setting Cl & Na ending conc;\nC added pointers/indirect addressing for arrays WETDEP\nC and LIQUID\nC 16 03/30/07 sjr Limit integration timestep by cloud washout time\nC 17 04/10/07 sjr increased loop limits as follows: I20C <10000,\nC I7777C <10000, I30C <10000, ICNTAQ <60000\nC 18 01/10/07 agc added organic chemistry for GLY and MGLY oxidation\nC 19 09/10/07 sln updated SOA species list for AE5\nC 20 01/29/08 agc updated DOHDT calculation\nC 21 04/14/08 jtk added coding for coarse NH4 and scavenging of\nc coarse surface area\nC 22 05/20/08 agc for CB05, use the Henry's Law constant for glyoxal\nC as a surrogate for methyl glyoxal\nC 23 04/15/09 sjr& Several changes made to improve mass conservation in the\nC agc solver. (1) OH concentration is now considered to be\nC steady state; (2) only allow sulfur oxidation to affect\nC time step; (3) implemented mass conservation checks -\nC limit oxidation rates by the available mass for the\nC specified timestep.\nC 10 Oct 10 J.Young: update to use aero_reeng by Steve Howard, Prakash Bhave,\nC Jeff Young, Sergey Napelenok, and Shawn Roselle\nC 01 Mar 11 S.Roselle: replaced I/O API include files with UTILIO_DEFN\nC 9 Mar 11 S.Napelenok: update for AE6 - pH calculation now expanded to\nC include Ca Mg K SOIL CORS SEAS\nC 23 May 11 G.Sarwar: update S(VI) production rate via H2O2, O3, MHP, PAA\nC pathways (Jacobson 1997)\nC 23 May 11 G.Sarwar: update S(VI) production rate via O2 pathway (metal\nC catalysis) (Martin and Goodman, 1991)\nC 01 Jul 11 G.Sarwar: Incorporate day and night dependent Fe III oxidation\nC state (Alexander et al., 2009)\nC 12 Aug 11 G.Sarwar: Revise Fe and Mn solubility based on\nC Alexander et al., 2009\nC 15 Aug 11 B.Hutzell: adapted for TXHG version by adding aerosol tracers and\nC mercury-chlorine chemistry from CMAQ version 4.71\nC\nC 8 Mar 12 J.Bash: FE_OX and MN_OX were calculated from FE and MN before\nC a floor value of 0.0 was established for these\nC concentrations sometimes resulting in negative\nC concentrations and model crashes. The code used to\nC estimate FE_OX and MN_OX was moved to be after a floor\nC value for FE and MN was set. Also the washout rate was\nC removed from the calculation of the estimate for doubling\nC the time step based on sulfur oxidized < 5%.\nC\nC 28 Nov 12 G.Sarwar: Sulfate inhibition effect is implemented in the metal catalysis pathway\nC 07 Jul 14 B.Hutzell: replaced mechanism include file(s) with fortran module\nC 12 Feb 15 B.Hutzell: reduced number of exp(...) calculations for scavenging aitken\nC aerosols to improve efficiency\nC 15 Jun 15 J.Young: Fixed bug found by Martin Otte in calculations for scavenging\nC aitken aerosols\nC 15 Apr 16 J.Young: Use aerosol factors from AERO_DATA module named constants\nC 19 Apr 18 K.Fahey: For species with both gas phase and coarse mode aerosol components, avoid\nC introducing extra mass when the coarse mode concentration is greater than \nC the total amount left in the aqueous phase after redistribution between the \nC phases. \nC\nC References:\nC Walcek & Taylor, 1986, A theoretical Method for computing\nC vertical distributions of acidity and sulfate within cumulus\nC clouds, J. Atmos Sci., Vol. 43, no. 4 pp 339 - 355\nC Carlton, A.G., B.J. Turpin, K.E. Altieri, S.P. Seitzinger, R. Mathur,\nC S.J. Roselle, and R.J. Weber, CMAQ Model Performance Enhanced When\nC In-Cloud Secondary Organic Aerosol is Included: Comparison of Organic\nC Carbon Predictions with Measurements, Environ. Sci. Technol., 42(23),\nC 8798-8802, 2008.\nC Jacobson, M., Development and application of a new air pollution modeling\nC system II. Aerosol module structure and design, Atmospheric\nC Environment, 31, 131-144, 1997\nC Martin, R.L. and T.W. Good, catalyzed oxidation of sulfur dioxide in\nC solution: the iron-manganese synercism, Atmospheric Environment, 25A,\nC 2395-2399, 1991\nC Alexander, B., R.J. Park, D.J. jacob, S. Gong, Transition metal-catalyzed\nC oxidation of atmospheric sulfur: global implications for the sulfur\nC budget, GRL, 114, D02309, 2009\n\nC Called by: AQMAP\n\nC Calls the following subroutines: none\n\nC Calls the following functions: HLCONST\n\nC Arguments Type I/O Description\nC --------- ---- ------------ --------------------------------\nC GAS(ngas) real input&output Concentration for species i=1,15\nC GASWDEP(ngas) real output wet deposition for species\n\nC AEROSOL(naer,nmodes) real input&output Concentration for species i=1,51\nC AERWDEP(naer,nmodes) real output wet deposition for species\nC-----------------------------------------------------------------------\n\n USE RXNS_DATA ! chemical mechanism data\n USE AQ_DATA\n USE AERO_DATA\n USE HG_AQCHEM_DATA\n USE UTILIO_DEFN\n\n IMPLICIT NONE\n\n INCLUDE SUBST_CONST ! constants\n\n CHARACTER( 120 ) :: XMSG = ' ' ! Exit status message\n\nC...........Parameters:\n\n INTEGER, PARAMETER :: NUMOX = 5 ! number of oxidation reactions\n\n REAL( 8 ), PARAMETER :: H2ODENS = 1000.0D0 ! water density at 20 C and 1 ATM (kg/m3)\n REAL( 8 ), PARAMETER :: SEC2HR = 1.0D0 / 3600.0D0 ! convert seconds to hours\n REAL( 8 ), PARAMETER :: SCVEFF = 100.0D0 ! Scavenging efficiency (%)\n\nC...........Arguments:\n\n INTEGER, INTENT( IN ) :: JDATE ! current model date, coded YYYYDDD\n INTEGER, INTENT( IN ) :: JTIME ! current model time, coded HHMMSS\n\n REAL, INTENT( IN ) :: AIRM ! total air mass in cloudy layers (mol/m2)\n REAL, INTENT( IN ) :: ALFA0 ! scav coef for aitken aerosol number\n REAL, INTENT( IN ) :: ALFA2 ! scav coef for aitken aerosol sfc area\n REAL, INTENT( IN ) :: ALFA3 ! scav coef for aitken aerosol mass\n REAL, INTENT( OUT ) :: HPWDEP ! hydrogen wet deposition (mm mol/liter)\n REAL( 8 ), INTENT( OUT ) :: BETASO4\n REAL, INTENT( IN ) :: PRCRATE ! precip rate (mm/hr)\n REAL, INTENT( IN ) :: PRES_PA ! pressure (Pa)\n REAL, INTENT( IN ) :: TAUCLD ! timestep for cloud (s)\n REAL, INTENT( IN ) :: TEMP ! temperature (K)\n REAL, INTENT( IN ) :: WCAVG ! liquid water content (kg/m3)\n REAL, INTENT( IN ) :: WTAVG ! total water content (kg/m3)\n REAL( 8 ), INTENT( INOUT ) :: GAS ( : ) ! gas phase concentrations (mol/molV)\n REAL( 8 ), INTENT( INOUT ) :: AEROSOL( :,: ) ! aerosol concentrations (mol/molV)\n REAL( 8 ), INTENT( INOUT ) :: GASWDEP( : ) ! gas phase wet deposition array (mm mol/liter)\n REAL( 8 ), INTENT( INOUT ) :: AERWDEP( :,: ) ! aerosol wet deposition array (mm mol/liter)\n LOGICAL, INTENT( IN ) :: DARK ! DARK = TRUE is night, DARK = FALSE is day\n REAL( 8 ), INTENT( OUT ) :: FRACTR ! Fraction of J mode tracer scavenged from I mode \n REAL( 8 ), INTENT( OUT ) :: FRACPOA ! Fraction of J mode poa scavenged from I mode \n REAL( 8 ), INTENT( OUT ) :: FRACPRI ! Fraction of J mode pri scavenged from I mode\n REAL( 8 ), INTENT( OUT ) :: FRACSOA ! Fraction of J mode soa scavenged from I mode \n\nC...........Local Variables (scalars):\n\n LOGICAL, SAVE :: FIRSTIME = .TRUE. ! flag for first pass thru\n\n CHARACTER( 16 ), SAVE :: PNAME = 'AQCHEM' ! driver program name\n CHARACTER( 16 ), SAVE :: MGLYSUR = 'METHYL_GLYOXAL ' ! Henry's law surrogate for MGLY\n\n INTEGER ISPC ! loop counter for species\n INTEGER I20C ! loop counter for do loop 20\n INTEGER I30C ! loop counter for do loop 30\n INTEGER ITERAT ! # iterations of aqueous chemistry solver\n INTEGER I7777C ! aqueous chem iteration counter\n INTEGER ICNTAQ ! aqueous chem iteration counter\n INTEGER LIQ ! loop counter for liquid species\n INTEGER IGAS ! loop counter for gas species\n INTEGER IOX ! index over oxidation reactions\n\n REAL( 8 ) :: DEPSUM\n REAL( 8 ) :: A ! iron's anion concentration\n REAL( 8 ) :: HPLUS ! H+ concentration in cloudwater (mol/liter)\n REAL( 8 ) :: ACT1 ! activity correction factor, single ions\n REAL( 8 ) :: ACT2 ! activity factor correction, double ions\n REAL( 8 ) :: ACTB !\n REAL( 8 ) :: AE ! guess for H+ conc in cloudwater (mol/liter)\n REAL( 8 ) :: B ! manganese's anion concentration\n REAL( 8 ) :: PRES_ATM ! pressure (Atm)\n REAL( 8 ) :: BB ! lower limit guess of cloudwater pH\n REAL( 8 ) :: CA ! Calcium conc in cloudwater (mol/liter)\n REAL( 8 ) :: CL ! total Cl- conc in cloudwater (mol/liter)\n REAL( 8 ) :: CLACC ! fine Cl- in cloudwater (mol/liter)\n REAL( 8 ) :: CLCOR ! coarse Cl- conc in cloudwater (mol/liter)\n REAL( 8 ) :: CO2H ! Henry's Law constant for CO2\n REAL( 8 ) :: CO21 ! First dissociation constant for CO2\n REAL( 8 ) :: CO22 ! Second dissociation constant for CO2\n REAL( 8 ) :: CO212 ! CO21*CO22\n REAL( 8 ) :: CO212H ! CO2H*CO21*CO22\n REAL( 8 ) :: CO21H ! CO2H*CO21\n REAL( 8 ) :: CO2L ! CO2 conc in cloudwater (mol/liter)\n REAL( 8 ) :: CO3 ! CO3= conc in cloudwater (mol/liter)\n REAL( 8 ) :: CTHK1 ! cloud thickness (m)\n REAL( 8 ) :: DSIV_SCALE ! mass conservation scale factor for S(IV)\n REAL( 8 ) :: DTRMV !\n REAL( 8 ) :: DTS6 !\n REAL( 8 ) :: DGLYDT ! change in GLY (mol/liter/sec)\n REAL( 8 ) :: DMGLYDT ! change in MGLY (mol/liter/sec)\n! REAL( 8 ) :: DOHDT ! change in OH\n REAL( 8 ) :: DGLY1 ! change due to Rxn. in GLY for DTW(0) time step\n REAL( 8 ) :: DMGLY1 ! change due to Rxn. in MGLY for DTW(0) time step\n! REAL( 8 ) :: DOH1 ! change in OH for DTW(0) time step\n REAL( 8 ) :: DORGC ! change in ORGC for DTW(0) time step (mol/liter)\n REAL( 8 ) :: EBETASO4T ! EXP( -BETASO4 * TAUCLD )\n REAL( 8 ) :: EALFA0T ! EXP( -ALFA0 * TAUCLD )\n REAL( 8 ) :: EALFA2T ! EXP( -ALFA2 * TAUCLD )\n REAL( 8 ) :: EALFA3T ! EXP( -ALFA3 * TAUCLD )\n REAL( 8 ) :: EC ! elemental carbon acc+akn aerosol in cloudwater (mol/liter)\n REAL( 8 ) :: FA ! functional value ??\n REAL( 8 ) :: FB ! functional value ??\n REAL( 8 ) :: FCLCOR ! frac weight of coarse CL to (acc+coarse) CL\n REAL( 8 ) :: FE ! Fe+++ conc in cloudwater (mol/liter)\n REAL( 8 ) :: FNH3 ! frac weight of NH3 to total ammonia\n REAL( 8 ) :: FNH4ACC ! frac weight of NH4 acc to total ammonia\n REAL( 8 ) :: FNH4COR ! frac weight of coarse NH4 to (acc+coarse) NH4\n REAL( 8 ) :: FHNO3 ! frac weight of HNO3 to total NO3\n REAL( 8 ) :: FNO3ACC ! frac weight of NO3 acc to total NO3\n REAL( 8 ) :: FNO3COR ! frac weight of coarse NO3 to (acc+coarse) NO3\n REAL( 8 ) :: FRACLIQ ! fraction of water in liquid form\n REAL( 8 ) :: FOA1 ! First dissociation constant for FOA (Formic Acid)\n REAL( 8 ) :: FOAH ! Henry's Law constant for FOA\n REAL( 8 ) :: FOA1H ! FOAH*FOA1\n REAL( 8 ) :: FOAL ! FOA conc in cloudwater (mol/liter)\n REAL( 8 ) :: FTST !\n REAL( 8 ) :: GLYH ! Henry's Law constant for glyoxal\n REAL( 8 ) :: GLYL ! glyoxal conc in cloud water (mol/liter)\n REAL( 8 ) :: GM !\n REAL( 8 ) :: GM1 !\n REAL( 8 ) :: GM1LOG !\n REAL( 8 ) :: GM2 ! activity correction factor\n REAL( 8 ) :: GM2LOG !\n REAL( 8 ) :: HA !\n REAL( 8 ) :: HB !\n REAL( 8 ) :: H2OW !\n REAL( 8 ) :: H2O2H ! Henry's Law Constant for H2O2\n REAL( 8 ) :: H2O2L ! H2O2 conc in cloudwater (mol/liter)\n REAL( 8 ) :: HCLH ! Henry's Law Constant for HCL\n REAL( 8 ) :: HCL1 ! First dissociation constant for HCL\n REAL( 8 ) :: HCL1H ! HCL1*HCLH\n REAL( 8 ) :: HCLL ! HCl conc in cloudwater (mol/liter)\n REAL( 8 ) :: HCO2 ! HCO2 conc in cloudwater (mol/liter)\n REAL( 8 ) :: HCO3 ! HCO3 conc in cloudwater (mol/liter)\n REAL( 8 ) :: HNO3H ! Henry's Law Constant for HNO3\n REAL( 8 ) :: HNO31 ! First dissociation constant for HNO3\n REAL( 8 ) :: HNO31H !\n REAL( 8 ) :: HNO3L ! HNO3 conc in cloudwater (mol/liter)\n REAL( 8 ) :: HOH ! Henry's Law Constant for HO\n REAL( 8 ) :: HSO3 ! HSO3 conc in cloudwater (mol/liter)\n REAL( 8 ) :: HSO4 ! HSO4 concn in cloudwater (mol/liter)\n REAL( 8 ) :: HSO4ACC ! accumulation mode HSO4 concn in cloudwater (mol/liter)\n REAL( 8 ) :: HSO4COR ! coarse HSO4 concn in cloudwater (mol/liter)\n REAL( 8 ) :: HTST !\n REAL( 8 ) :: K ! K conc in cloudwater (mol/liter)\n REAL( 8 ) :: LGTEMP ! log of TEMP\n REAL( 8 ) :: MG !\n REAL( 8 ) :: MGLYH ! Henry's Law Constant for methylglyoxal\n REAL( 8 ) :: MGLYL ! MGLY conc in cloud water (mol/liter)\n REAL( 8 ) :: MHPH ! Henry's Law Constant for MHP\n REAL( 8 ) :: MHPL ! MHP conc in cloudwater (mol/liter)\n REAL( 8 ) :: MN ! Mn++ conc in cloudwater (mol/liter)\n REAL( 8 ) :: NA ! Na conc in cloudwater (mol/liter)\n REAL( 8 ) :: NAACC ! Na in cloudwater (mol/liter)\n REAL( 8 ) :: NACOR ! coarse Na in cloudwater (mol/liter)\n REAL( 8 ) :: NH31 ! First dissociation constant for NH3\n REAL( 8 ) :: NH3H ! Henry's Law Constant for NH3\n REAL( 8 ) :: NH3DH20 !\n REAL( 8 ) :: NH31HDH !\n REAL( 8 ) :: NH3L ! NH3 conc in cloudwater (mol/liter)\n REAL( 8 ) :: NH4 ! NH4+ conc in cloudwater (mol/liter)\n REAL( 8 ) :: NH4ACC ! NH4 acc conc in cloudwater (mol/liter)\n REAL( 8 ) :: NH4COR ! NH4 coarse conc in cloudwater (mol/liter)\n REAL( 8 ) :: NITAER ! total aerosol nitrate\n REAL( 8 ) :: NO3 ! NO3 conc in cloudwater (mol/liter)\n REAL( 8 ) :: NO3ACC ! NO3 acc conc in cloudwater (mol/liter)\n REAL( 8 ) :: NO3COR ! NO3 coarse conc in cloudwater (mol/liter)\n REAL( 8 ) :: NUMCOR ! coarse aerosol number in cloudwater (mol/liter)\n REAL( 8 ) :: O3H ! Henry's Law Constant for O3\n REAL( 8 ) :: O3L ! O3 conc in cloudwater (mol/liter)\n REAL( 8 ) :: OH ! OH conc in cloudwater (mol/liter)\n REAL( 8 ) :: OHL ! OH radical conc in cloudwater (mol/liter)\n REAL( 8 ) :: SOA ! secondary organic aerosol in cloudwater (mol/liter)\n REAL( 8 ) :: ORGC ! cloud-produced SOA in cloudwater (treated as primary)\n REAL( 8 ) :: POA ! primary organic aerosol in cloudwater (mol/liter)\n REAL( 8 ) :: PAAH ! Henry's Law Constant for PAA\n REAL( 8 ) :: PAAL ! PAA conc in cloudwater (mol/liter)\n REAL( 8 ) :: PCO2F ! gas only CO2 partial pressure (atm)\n REAL( 8 ) :: PFOAF ! gas only ORGANIC ACID partial press (atm)\n REAL( 8 ) :: PGLYF ! gas only GLY partial pressure (atm)\n REAL( 8 ) :: PH2O2F ! gas only H2O2 partial pressure (atm)\n REAL( 8 ) :: PHCLF ! gas only HCL partial pressure (atm)\n REAL( 8 ) :: PHNO3F ! gas only HNO3 partial pressure (atm)\n REAL( 8 ) :: PHOF ! gas only HO partial pressure (atm)\n REAL( 8 ) :: PMGLYF ! gas only MGLY parital pressure (atm)\n REAL( 8 ) :: PMHPF ! gas only MHP partial pressure (atm)\n REAL( 8 ) :: PNH3F ! gas only NH3 partial pressure (atm)\n REAL( 8 ) :: PO3F ! gas only O3 partial pressure (atm)\n REAL( 8 ) :: PPAAF ! gas only PAA partial pressure (atm)\n REAL( 8 ) :: PRIM ! PRIMARY acc+akn aerosol in cloudwater (mol/liter)\n! REAL( 8 ) :: PRIMCOR ! PRIMARY coarse aerosol in cloudwater (mol/liter)\n REAL( 8 ) :: PSO2F ! gas only SO2 partial pressure (atm)\n REAL( 8 ) :: RATE !\n REAL( 8 ) :: RECIPA1 !\n REAL( 8 ) :: RECIPA2 !\n REAL( 8 ) :: RECIPAP1 ! one over pressure (/atm)\n REAL( 8 ) :: RGLY3 ! liter/(mol sec)\n REAL( 8 ) :: RH2O2 !\n REAL( 8 ) :: RMGLY3 ! liter/(mol sec)\n REAL( 8 ) :: RMHP !\n REAL( 8 ) :: RPAA !\n REAL( 8 ) :: RT ! gas const * temperature (liter atm/mol)\n REAL( 8 ) :: SIV ! dissolved so2 in cloudwater (mol/liter)\n REAL( 8 ) :: SK6 !\n REAL( 8 ) :: SK6TS6 !\n REAL( 8 ) :: SO21 ! First dissociation constant for SO2\n REAL( 8 ) :: SO22 ! Second dissociation constant for SO2\n REAL( 8 ) :: SO2H ! Henry's Law Constant for SO2\n REAL( 8 ) :: SO212 ! SO21*SO22\n REAL( 8 ) :: SO212H ! SO21*SO22*SO2H\n REAL( 8 ) :: SO21H ! SO21*SO2H\n REAL( 8 ) :: SO2L ! SO2 conc in cloudwater (mol/liter)\n REAL( 8 ) :: SO3 ! SO3= conc in cloudwater (mol/liter)\n REAL( 8 ) :: SO4 ! SO4= conc in cloudwater (mol/liter)\n REAL( 8 ) :: SO4ACC ! accumulation mode SO4= conc in cloudwater (mol/liter)\n REAL( 8 ) :: SO4COR ! coarse SO4= conc in cloudwater (mol/liter)\n REAL( 8 ) :: STION ! ionic strength\n REAL( 8 ) :: TAC !\n REAL( 8 ) :: TCLa ! sum of accumulation and coarse mode chloride\n REAL( 8 ) :: TEMP1 ! (1/T) - (1/298) (1/K)\n REAL( 8 ) :: TIMEW ! cloud chemistry clock (sec)\n! REAL( 8 ) :: THO ! total hydroxyl radical available for oxidation\n REAL( 8 ) :: TGLY ! total glyoxal available for oxidation\n REAL( 8 ) :: TMGLY ! total methylglyoxal available for oxidation\n REAL( 8 ) :: TOTOX !\n REAL( 8 ) :: TH2O2\n REAL( 8 ) :: TO3\n REAL( 8 ) :: TMHP\n REAL( 8 ) :: TNH4a ! sum of accumulation and coarse mode ammonium\n REAL( 8 ) :: TNO3a ! sum of accumulation and coarse mode nitrate \n REAL( 8 ) :: TPAA\n REAL( 8 ) :: TOTAMM ! total ammonium\n REAL( 8 ) :: TOTNIT ! total nitrate (excluding coarse mode)\n REAL( 8 ) :: TS6 ! SO4 conc in cloudwater (mol/liter)\n REAL( 8 ) :: TS6ACC ! SO4 acc conc in cloudwater (mol/liter)\n REAL( 8 ) :: TS6COR ! coarse SO4 conc in cloudwater (mol/liter)\n REAL( 8 ) :: TSIV ! total S(iv) available for oxidation\n REAL( 8 ) :: TST !\n REAL( 8 ) :: TWASH ! washout time for clouds (sec)\n REAL( 8 ) :: WETFAC ! converts mol/l to mm-mol/l based on precip\n REAL( 8 ) :: XC1 ! (/mm)\n REAL( 8 ) :: XC2 ! (liter-atm/mol/mm)\n REAL( 8 ) :: XL ! conversion factor (liter-atm/mol)\n REAL( 8 ) :: ONE_OVER_XL ! 1.0 / XL\n REAL( 8 ) :: PRES_ATM_OVER_XL ! PRES_ATM / XL\n REAL( 8 ) :: SCAVENGED ! aitken scavenging factor by cloud water\n REAL( 8 ) :: XLCO2 !\n REAL( 8 ) :: XLH2O2 !\n REAL( 8 ) :: XLHCL ! const in calc of HCL final partial pres\n REAL( 8 ) :: XLHNO3 !\n REAL( 8 ) :: XLMHP !\n REAL( 8 ) :: XLNH3 !\n REAL( 8 ) :: XLO3 !\n REAL( 8 ) :: XLPAA !\n REAL( 8 ) :: XLSO2 !\n REAL( 8 ) :: CAACC ! accumulation mode Calcium (AE6) SLN 16March2011\n REAL( 8 ) :: MGACC ! accumulation mode Magnesium (AE6) SLN 16March2011\n REAL( 8 ) :: KACC ! accumulation mode Potassium (AE6) SLN 16March2011\n REAL( 8 ) :: CACOR ! coarse mode Calcium (AE6) SLN 16March2011\n REAL( 8 ) :: MGCOR ! coarse mode Magnesium (AE6) SLN 16March2011\n REAL( 8 ) :: KCOR ! coarse mode Potassium (AE6) SLN 16March2011\n REAL( 8 ) :: SOILCOR ! coarse mode SOIL (AE6) SLN 16March2011\n REAL( 8 ) :: ANTHCOR ! coarse mode CORS (AE6) SLN 16March2011\n REAL( 8 ) :: SEASCOR ! coarse mode SEAS (AE6) SLN 16March2011\n REAL( 8 ) :: FEACC ! accumulation mode Fe (AE6) SLN 22March2011\n REAL( 8 ) :: MNACC ! accumulation mode Mn (AE6) SLN 22March2011\n REAL( 8 ) :: FECOR ! coarse mode Fe (AE6) SLN 22March2011\n REAL( 8 ) :: MNCOR ! coarse mode Mn (AE6) SLN 22March2011\n REAL( 8 ) :: FE_OX ! Fe(III) available for sulfate oxidation\n REAL( 8 ) :: MN_OX ! Mn(II) available for sulfate oxidation\n REAL( 8 ) :: FE_III ! Fractional Fe(III) partitioning, GS - July 1, 2011\n REAL( 8 ) :: MN_II ! Fractional Mn(II) partitioning, GS - July 1, 2011\n\n REAL( 8 ) :: FE_SOL ! Fractional Fe solubility, GS - July 1, 2011\n REAL( 8 ) :: MN_SOL ! Fractional Mn solubility, GS - July 1, 2011\n \n REAL( 8 ) :: TRACI, POAI, PRII, SOAI\n\n REAL( 8 ), SAVE :: SOIL_FE_FAC ! Fe molar fraction of ASOIL\n REAL( 8 ), SAVE :: CORS_FE_FAC ! Fe molar fraction of ACORS\n REAL( 8 ), SAVE :: SOIL_MN_FAC ! etc.\n REAL( 8 ), SAVE :: CORS_MN_FAC\n REAL( 8 ), SAVE :: SEAS_NA_FAC ! Na molar fraction of ASEACAT\n REAL( 8 ), SAVE :: SOIL_NA_FAC\n REAL( 8 ), SAVE :: CORS_NA_FAC\n REAL( 8 ), SAVE :: SEAS_MG_FAC\n REAL( 8 ), SAVE :: SOIL_MG_FAC\n REAL( 8 ), SAVE :: CORS_MG_FAC\n REAL( 8 ), SAVE :: SEAS_CA_FAC\n REAL( 8 ), SAVE :: SOIL_CA_FAC\n REAL( 8 ), SAVE :: CORS_CA_FAC\n REAL( 8 ), SAVE :: SEAS_K_FAC\n REAL( 8 ), SAVE :: SOIL_K_FAC\n REAL( 8 ), SAVE :: CORS_K_FAC\n\nC...........Local Variables (arrays):\n\n REAL( 8 ) :: LOADING( MAX_NAER, NMODES ) ! aerosol loading (mol/liter)\n REAL( 8 ) :: INITGAS( NGAS ) ! initial gas partial pressure (atm)\n REAL( 8 ) :: LIQUID( NLIQS ) ! wet deposition array (mm mol/liter)\n REAL( 8 ) :: WETDEP( NLIQS ) ! wet deposition array (mm mol/liter)\n REAL( 8 ) :: DSIVDT( 0:NUMOX ) ! rate of so2 oxid incloud (mol/liter/sec)\n REAL( 8 ) :: DS4 ( 0:NUMOX ) ! S(IV) oxidized over timestep DTW(0)\n REAL( 8 ) :: DTW ( 0:NUMOX ) ! cloud chemistry timestep (sec)\n\n REAL( 8 ) :: ONE_OVER_TEMP ! 1.0 / TEMP\n\nC...........External Functions:\n\n REAL, EXTERNAL :: HLCONST\n\n!For Varaible used by TXHG Version\n LOGICAL, SAVE :: TRUST_TXHG_CHEM = .TRUE. ! allow effects for TXHG version on ion and ph\n\n REAL( 8 ) :: DCL2DT ! change in CL2\n REAL( 8 ) :: DCL21 ! change in CL2 for DTW(0) time step\n REAL( 8 ) :: HO21 ! Dissociation constant for HO2\n REAL( 8 ) :: HO2H ! Henry's Law Constant for HO2\n REAL( 8 ) :: O2 ! O2- in cloudwater (mol/liter)\n REAL( 8 ) :: HO2L ! HO2 radical conc in cloudwater (mol/liter)\n REAL( 8 ) :: CL2L ! molecular chlorine in cloudwater (mol/liter)\n REAL( 8 ) :: HOCL_L ! hypochlorous acid in cloudwater (mol/liter)\n REAL( 8 ) :: OCL ! OCL- conc in cloudwater (mol/liter)\n REAL( 8 ) :: OCL_TOTAL ! OCL- conc in cloudwater (mol/liter)\n REAL( 8 ) :: CL2H ! Henry's Law constant for CL2\n REAL( 8 ) :: CL2H_COF ! Coefficient converting CL2H to HEFFCL2\n REAL( 8 ) :: HEFFCL2 ! Effective Henry's Law constant for CL2\n REAL( 8 ) :: RECIPCL1 ! reciprocal of CL ion times ACT1\n REAL( 8 ) :: RECIPCL2 ! reciprocal of CL ion squared times ACT2\n REAL( 8 ) :: HOCLH ! Henry's Law constant for HOCL\n REAL( 8 ) :: HOCL1 ! Dissociation constant for HOCL\n REAL( 8 ) :: CL21 ! Dissociation constant for CL2\n REAL( 8 ) :: CL2_HOCL1 ! equals CL21*HOCL1\n REAL( 8 ) :: PCL20 ! total CL2 partial pressure (atm)\n REAL( 8 ) :: PCL2F ! gas only CL2 partial pressure (atm)\n REAL( 8 ) :: CL_SAFE ! CL ion protect by MIN test\n REAL( 8 ) :: CL_TOTAL ! CL ion protect by MIN test\n REAL( 8 ) :: PHOCL0 ! total HOCL partial pressure (atm)\n REAL( 8 ) :: PHOCLF ! gas only HOCL partial pressure (atm)\n REAL( 8 ) :: CL_VIA_PCL2 ! liquid Cl ion from dissolved CL2\n REAL( 8 ) :: OCL_VIA_PCL2 ! liquid OCl ion from dissolved CL2\n REAL( 8 ) :: PHOCL_VIA_PCL2 ! total gas HOCL from dissociated CL2\n REAL( 8 ) :: LHOCL_VIA_LCL2 ! Liquid HOCL from dissociated CL2\n REAL( 8 ) :: DEPHOCL_VIA_LCL2 ! HOCL deposition via dissociated CL2 (mm mol/liter)\n REAL( 8 ) :: DEPCL_VIA_LCL2 ! CL ion deposition via dissociated CL2 (mm mol/liter)\n REAL( 8 ) :: PHO2F ! Resultant gas only HO2 partial pressure (atm)\n REAL( 8 ) :: PHGIIGASF ! Resultant vapor pressure from liquid phase HGII (atm)\n REAL( 8 ) :: PHGF ! Resultant vapor pressure from HG (atm)\n REAL( 8 ) :: TRACER ! TRACER acc+akn aerosol in cloudwater (mol/liter)\n REAL( 8 ) :: TRACERCOR ! TRACER coarse aerosol in cloudwater (mol/liter)\n REAL( 8 ) :: HGII_FINE ! mercury PM acc+akn aerosol in cloudwater (mol/liter)\n REAL( 8 ) :: HGCOR ! mercury PM coarse aerosol in cloudwater (mol/liter)\n REAL( 8 ) :: XLHO2 ! converted henry's law const to calc HCL final partial pres\n REAL( 8 ) :: XLCL2 ! converted henry's law const to calc CL2 final partial pres\n REAL( 8 ) :: XLHOCL ! converted henry's law const to calc HOCL final partial pres\n REAL( 8 ) :: PREV_HGII_FINE ! Previous values of divalent HG in Fine Particulates (mol/liter)\n REAL( 8 ) :: DELT_HGII_FINE ! Change in divalent HG in Fine Particulates (mol/liter)\n REAL( 8 ) :: DELTA_HGO ! change in gaseous elemental mercury in liquid phases (mol/liter)\n REAL( 8 ) :: DELTA_HGIIGAS ! change in gaseous divalent mercury in liquid phases (mol/liter)\n REAL( 8 ) :: DELTA_ADS_HG ! change in adsorbed (aerosol) divalent mercury in cloud water (mol/liter)\n REAL( 8 ) :: DELTA_DADS_HG ! change in deadsorbed (dissolved) mercury in cloud water (mol/liter)\n REAL( 8 ) :: WETDEP_ADS_HG ! total wet deposition of adsorbed (aerosol) divalent mercury in liquid phases (mol/liter)\n REAL( 8 ) :: SPECIATE ! speciation factor or component to partition adsorbed HGII (Dimensionaless or mol/liter)\n REAL( 8 ) :: ADSORBED_HG ! Total mercury species absorbed onto elemental carbon\n REAL( 8 ) :: TOTAL_LHGIIGAS ! Total dissolved elemental mercury\n\n! statement function for intrinsic Cl2 Henry's Law Constant\n! based on Figure A2 in Lin and Pehkonen (JGR,1998)\n REAL( 8 ) :: HINTCL2\n REAL( 8 ), PARAMETER :: A_HINTCL2 = 5.67D-8\n REAL( 8 ), PARAMETER :: B_HINTCL2 = 2.50D-5\n REAL( 8 ), PARAMETER :: C_HINTCL2 = 3.59D-3\n REAL( 8 ), PARAMETER :: D_HINTCL2 = 1.49D-1\n REAL( 8 ) :: TEMPC ! Temperature deg Celsius\n\n HINTCL2( TEMPC ) = A_HINTCL2 * TEMPC ** 3\n & + B_HINTCL2 * TEMPC ** 2\n & - C_HINTCL2 * TEMPC\n & + D_HINTCL2\n\nC*********************************************************************\n\nC...Initialization\n\n IF ( FIRSTIME ) THEN\n\n FIRSTIME = .FALSE.\n \nC...Make sure an AE6 version of the mechanism is being used\n\n IF ( INDEX ( MECHNAME, 'AE6' ) .LE. 0 ) THEN\n XMSG = 'This version of AQCHEM requires an AE6 chemical mechanism'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT3 )\n END IF \n\n!...Make sure STM option is not set\n\n IF ( STM ) THEN\n XMSG = 'STM option not implemented in multipollutant version of AQCHEM'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT3 )\n END IF\n\n#ifdef isam\n XMSG = 'Source Apportionment is not implemented in multipollutant version of AQCHEM'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT3 )\n#endif \n\nC... set MW ratios and speciation factors for molar concentrations of coarse\nC... soluble aerosols\n\n SOIL_FE_FAC = ASOIL_FE_FAC * REAL( AEROSPC_MW( ASOIL_IDX ), 8 )\n & / REAL( AEROSPC_MW( AFE_IDX ), 8 ) / ASOIL_RENORM\n CORS_FE_FAC = ACORS_FE_FAC * REAL( AEROSPC_MW( ACORS_IDX ), 8 )\n & / REAL( AEROSPC_MW( AFE_IDX ), 8 ) / ACORSEM_RENORM\n\n SOIL_MN_FAC = ASOIL_MN_FAC * REAL( AEROSPC_MW( ASOIL_IDX ), 8 )\n & / REAL( AEROSPC_MW( AMN_IDX ), 8 ) / ASOIL_RENORM\n CORS_MN_FAC = ACORS_MN_FAC * REAL( AEROSPC_MW( ACORS_IDX ), 8 )\n & / REAL( AEROSPC_MW( AMN_IDX ), 8 ) / ACORSEM_RENORM\n\n SEAS_NA_FAC = ASCAT_NA_FAC * REAL( AEROSPC_MW( ASEACAT_IDX ), 8 )\n & / REAL( AEROSPC_MW( ANA_IDX ), 8 )\n SOIL_NA_FAC = ASOIL_NA_FAC * REAL( AEROSPC_MW( ASOIL_IDX ), 8 )\n & / REAL( AEROSPC_MW( ANA_IDX ), 8 ) / ASOIL_RENORM\n CORS_NA_FAC = ACORS_NA_FAC * REAL( AEROSPC_MW( ACORS_IDX ), 8 )\n & / REAL( AEROSPC_MW( ANA_IDX ), 8 ) / ACORSEM_RENORM\n\n SEAS_MG_FAC = ASCAT_MG_FAC * REAL( AEROSPC_MW( ASEACAT_IDX ), 8 )\n & / REAL( AEROSPC_MW( AMG_IDX ), 8 )\n SOIL_MG_FAC = ASOIL_MG_FAC * REAL( AEROSPC_MW( ASOIL_IDX ), 8 )\n & / REAL( AEROSPC_MW( AMG_IDX ), 8 ) / ASOIL_RENORM\n CORS_MG_FAC = ACORS_MG_FAC * REAL( AEROSPC_MW( ACORS_IDX ), 8 )\n & / REAL( AEROSPC_MW( AMG_IDX ), 8 ) / ACORSEM_RENORM\n\n SEAS_CA_FAC = ASCAT_CA_FAC * REAL( AEROSPC_MW( ASEACAT_IDX ), 8 )\n & / REAL( AEROSPC_MW( ACA_IDX ), 8 )\n SOIL_CA_FAC = ASOIL_CA_FAC * REAL( AEROSPC_MW( ASOIL_IDX ), 8 )\n & / REAL( AEROSPC_MW( ACA_IDX ), 8 ) / ASOIL_RENORM\n CORS_CA_FAC = ACORS_CA_FAC * REAL( AEROSPC_MW( ACORS_IDX ), 8 )\n & / REAL( AEROSPC_MW( ACA_IDX ), 8 ) / ACORSEM_RENORM\n\n SEAS_K_FAC = ASCAT_K_FAC * REAL( AEROSPC_MW( ASEACAT_IDX ), 8 )\n & / REAL( AEROSPC_MW( AK_IDX ), 8 )\n SOIL_K_FAC = ASOIL_K_FAC * REAL( AEROSPC_MW( ASOIL_IDX ), 8 )\n & / REAL( AEROSPC_MW( AK_IDX ), 8 ) / ASOIL_RENORM\n CORS_K_FAC = ACORS_K_FAC * REAL( AEROSPC_MW( ACORS_IDX ), 8 )\n & / REAL( AEROSPC_MW( AK_IDX ), 8 ) / ACORSEM_RENORM\n\n END IF ! FIRSTIME\n\n ONE_OVER_TEMP = 1.0D0 / TEMP\n\nC...check for bad temperature, cloud air mass, or pressure\n\n IF ( TEMP .LE. 0.0D0 .OR. AIRM .LE. 0.0D0 .OR. PRES_PA .LE. 0.0D0 ) THEN\n XMSG = 'MET DATA ERROR'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n\nC...initialize counters and compute several conversion factors\n\n ICNTAQ = 0\n ITERAT = 0\n DSIV_SCALE = 1.0D0\n RT = ( MOLVOL / STDTEMP ) * TEMP ! R * T (liter atm / mol)\n PRES_ATM = PRES_PA / STDATMPA ! pressure (atm)\n CTHK1 = AIRM * RT / ( PRES_ATM * 1000.0D0 ) ! cloud thickness (m)\n XL = WCAVG * RT / H2ODENS ! conversion factor (l-atm/mol)\n ONE_OVER_XL = 1.0D0 / XL\n PRES_ATM_OVER_XL = PRES_ATM / XL\n TST = 0.999D0\n GM = SCVEFF / 100.0D0\n ACT1 = 1.0D0\n ACT2 = 1.0D0\n GM2 = 1.0D0\n TIMEW = 0.0D0\n RECIPAP1 = 1.0D0 / PRES_ATM\n XC1 = 1.0D0 / ( WCAVG * CTHK1 )\n XC2 = RT / ( 1000.0D0 * CTHK1 )\n FRACLIQ = WCAVG / WTAVG\n TWASH = WTAVG * 1000.0D0 * CTHK1 * 3600.0D0\n & / ( H2ODENS * MAX( 1.0D-20, REAL( PRCRATE,8 ) ) )\n\nC...set equilibrium constants as a function of temperature\nC... Henry`s law constants\n\n SO2H = HLCONST( 'SO2 ', TEMP, .FALSE., 0.0 )\n CO2H = HLCONST( 'CO2 ', TEMP, .FALSE., 0.0 )\n NH3H = HLCONST( 'NH3 ', TEMP, .FALSE., 0.0 )\n H2O2H = HLCONST( 'H2O2 ', TEMP, .FALSE., 0.0 )\n O3H = HLCONST( 'O3 ', TEMP, .FALSE., 0.0 )\n HCLH = HLCONST( 'HCL ', TEMP, .FALSE., 0.0 )\n HNO3H = HLCONST( 'HNO3 ', TEMP, .FALSE., 0.0 )\n MHPH = HLCONST( 'METHYLHYDROPEROX', TEMP, .FALSE., 0.0 )\n PAAH = HLCONST( 'PEROXYACETIC_ACI', TEMP, .FALSE., 0.0 )\n FOAH = HLCONST( 'FORMIC_ACID ', TEMP, .FALSE., 0.0 )\n GLYH = HLCONST( 'GLYOXAL ', TEMP, .FALSE., 0.0 )\n MGLYH = HLCONST( MGLYSUR, TEMP, .FALSE., 0.0 )\n HOH = HLCONST( 'OH ', TEMP, .FALSE., 0.0 )\n\n TEMP1 = ONE_OVER_TEMP - 1.0D0 / 298.0D0\n\nC...dissociation constants\n\n FOA1 = 1.80D-04 * EXP( -2.00D+01 * TEMP1 ) ! Martell and Smith (1977)\n SK6 = 1.02D-02 * EXP( 2.72D+03 * TEMP1 ) ! Smith and Martell (1976)\n SO21 = 1.30D-02 * EXP( 1.96D+03 * TEMP1 ) ! Smith and Martell (1976)\n SO22 = 6.60D-08 * EXP( 1.50D+03 * TEMP1 ) ! Smith and Martell (1976)\n CO21 = 4.30D-07 * EXP( -1.00D+03 * TEMP1 ) ! Smith and Martell (1976)\n CO22 = 4.68D-11 * EXP( -1.76D+03 * TEMP1 ) ! Smith and Martell (1976)\n H2OW = 1.00D-14 * EXP( -6.71D+03 * TEMP1 ) ! Smith and Martell (1976)\n NH31 = 1.70D-05 * EXP( -4.50D+02 * TEMP1 ) ! Smith and Martell (1976)\n HCL1 = 1.74D+06 * EXP( 6.90D+03 * TEMP1 ) ! Marsh and McElroy (1985)\n HNO31 = 1.54D+01 * EXP( 8.70D+03 * TEMP1 ) ! Schwartz (1984)\n\nC...Kinetic oxidation rates\n\nC... From Jacobson (1997)\n\n RH2O2 = 7.45D+07 * EXP( -15.96D0 * ( ( 298.0D0 / TEMP ) - 1.0D0 ) )\n\nC... From Jacobson, 1997\n\n RMHP = 1.90D+07 * EXP( -12.75D0 * ( ( 298.0D0 / TEMP ) - 1.0D0 ) )\n RPAA = 3.60D+07 * EXP( -13.42D0 * ( ( 298.0D0 / TEMP ) - 1.0D0 ) )\n\nC...From Carlton et al. (2007)\n\n RGLY3 = 3.0D+10 ! rate constant measured at 298K\n RMGLY3 = 3.0D+10 ! assumed to be the same as GLY\n\nC...make initializations\n\n WETDEP = 0.0D0\n LOADING = 0.0D0\n INITGAS = 0.0D0\n\n DSIVDT = 0.0D0\n DTW = 0.0D0\n DS4 = 0.0D0\n\n DGLY1 = 0.0D0\n DMGLY1 = 0.0D0\n DORGC = 0.0D0\n! DOH1 = 0.0\n\nC...compute fractional weights for several species\n\n TOTNIT = GAS( LHNO3 ) + AEROSOL( LNO3, ACC )\n IF ( TOTNIT .GT. 0.0D0 ) THEN\n FHNO3 = GAS( LHNO3 ) / TOTNIT\n FNO3ACC = AEROSOL( LNO3, ACC ) / TOTNIT\n ELSE\n FHNO3 = 1.0D0\n FNO3ACC = 0.0D0\n END IF\n\n TOTAMM = GAS( LNH3 ) + AEROSOL( LNH4, ACC )\n IF ( TOTAMM .GT. 0.0D0 ) THEN\n FNH3 = GAS( LNH3 ) / TOTAMM\n FNH4ACC = AEROSOL( LNH4, ACC ) / TOTAMM\n ELSE\n FNH3 = 1.0D0\n FNH4ACC = 0.0D0\n END IF\n\n TNO3a = AEROSOL( LNO3, ACC ) + AEROSOL( LNO3, COR ) \n IF ( TNO3a .GT. 0.0D0) THEN\n FNO3COR = AEROSOL( LNO3, COR ) / TNO3a\n ELSE\n FNO3COR = 0.0D0\n END IF\n \n TNH4a = AEROSOL( LNH4, ACC ) + AEROSOL( LNH4, COR )\n IF ( TNH4a .GT. 0.0D0) THEN\n FNH4COR = AEROSOL( LNH4, COR ) / TNH4a\n ELSE\n FNH4COR = 0.0D0\n END IF\n \n TCLa = AEROSOL( LCL, ACC ) + AEROSOL( LCL, COR )\n IF ( TCLa .GT. 0.0D0) THEN\n FCLCOR = AEROSOL( LCL, COR ) / TCLa\n ELSE\n FCLCOR = 0.0D0\n END IF\n \nC...Assign fraction partitioning of FE(III) and MN(II)\n\n IF ( DARK ) THEN\n FE_III = 0.9D0 ! Night time, GS 01July2011\n ELSE\n FE_III = 0.1D0 ! Day time, GS 01July2011\n END IF\n\n MN_II = 1.0D0 ! Same for day and night, GS 01July2011\n\nC...Assign solubility of Fe and Mn\n\n FE_SOL = 0.1D0 ! GS 01July2011\n MN_SOL = 0.5D0 ! GS 28July2011\n\nC...initial concentration from accumulation-mode aerosol loading (mol/liter)\nC... an assumption is made that all of the accumulation-mode\nC... aerosol mass in incorporated into the cloud droplets\n\n DO ISPC = 1, NAER\n LOADING( ISPC, ACC ) = AEROSOL( ISPC, ACC ) * PRES_ATM_OVER_XL\n END DO\n\n LOADING( LSO4, ACC ) = ( AEROSOL( LSO4, ACC ) + GAS( LH2SO4 ) ) * PRES_ATM_OVER_XL\n\nC...initial concentration from coarse-mode aerosol loading (mol/liter)\nC... an assumption is made that all of the coarse-mode\nC... aerosol mass in incorporated into the cloud droplets\n\n DO ISPC = 1, NAER\n LOADING( ISPC, COR ) = AEROSOL( ISPC, COR ) * PRES_ATM_OVER_XL\n END DO\n\n! LOADING( LCACO3, COR ) = ( AEROSOL( LCACO3, COR ) + AEROSOL( LMGCO3, COR ) )\n! & * PRES_ATM_OVER_XL\n\nC...set constant factors that will be used in later multiplications (moles/atm)\n\n XLH2O2 = H2O2H * XL\n XLO3 = O3H * XL\n XLMHP = MHPH * XL\n XLPAA = PAAH * XL\n XLSO2 = SO2H * XL\n XLNH3 = NH3H * XL\n XLHCL = HCLH * XL\n XLHNO3 = HNO3H * XL\n XLCO2 = CO2H * XL\n\n SO212 = SO21 * SO22\n SO21H = SO21 * SO2H\n SO212H = SO212 * SO2H\n CO212 = CO21 * CO22\n CO21H = CO21 * CO2H\n CO212H = CO22 * CO21H\n NH3DH20 = NH31 / H2OW\n NH31HDH = NH3H * NH3DH20\n FOA1H = FOA1 * FOAH\n HCL1H = HCL1 * HCLH\n HNO31H = HNO31 * HNO3H\n\nC...Initialize for TXHG Version\n\n TEMPC = REAL( ( TEMP - 273.15 ), 8 )\n HO2H = HLCONST( 'HO2 ', TEMP, .FALSE., 0.0 )\n CL2H = HINTCL2( TEMPC )\n HOCLH = HLCONST( 'HOCL ', TEMP, .FALSE., 0.0 )\n XLCL2 = CL2H * XL\n XLHO2 = HO2H * XL\n XLHOCL = HOCLH * XL\n\nC...dissociation constants\n\n HO21 = 3.50D-05 ! Perrin (1982)\n CL21 = 5.01D-04 ! LIN AND PEHKONEN (1998), JGR, 103, D21, 28093-28102.\n HOCL1 = 3.16D-08 ! LIN AND PEHKONEN (1998), JGR, 103, D21, 28093-28102.\n CL2_HOCL1 = HOCL1 * CL21 ! needed for effective Henry's Constant of CL2\n\nC...used by solution for CL2 and HOCL\n\n PHOCL_VIA_PCL2 = 0.0D0\n LHOCL_VIA_LCL2 = 0.0D0\n CL_VIA_PCL2 = 0.0D0\n OCL_VIA_PCL2 = 0.0D0\n DCL2DT = 0.0D0\n DCL21 = 0.0D0\n\nC...used to track change in oxidized gaseous and particulate mercury\n\n PREV_HGII_FINE = 0.0D0\n DELT_HGII_FINE = 0.0D0\n DELTA_HGO = 0.0D0\n DELTA_HGIIGAS = 0.0D0\n DELTA_ADS_HG = 0.0D0\n DELTA_DADS_HG = 0.0D0\n WETDEP_ADS_HG = 0.0D0\n\nC...forms of mercuric adsorbed onto elemental carbon\n\n SHGCL2 = 0.0D0\n SHGSO3 = 0.0D0\n SHGDISULF = 0.0D0\n SHGII = 0.0D0\n SHGOHP = 0.0D0\n SHGHY = 0.0D0\n SHGOHCL = 0.0D0\n ADSORBED_HG = 0.0D0\n\nC...initialize mercury chemistry parameters\n\n CALL INIT_AQCHEM_HG ( TEMP, WCAVG, JDATE, JTIME, DARK )\n\nC...loop If kinetic calculations are made, return to this point\n\n DO I20C = 1, 10001\n\n IF ( I20C .GE. 10000 ) THEN\n XMSG = 'EXCESSIVE LOOPING AT I20C'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n\nC...set aitken-mode aerosol loading (mol/liter)\n\n SCAVENGED = PRES_ATM_OVER_XL * ( 1.0D0 - EXP( -REAL( ALFA3, 8 ) * TIMEW ) )\n DO ISPC = 1, NAER\n LOADING( ISPC, AKN ) = AEROSOL( ISPC, AKN ) * SCAVENGED\n END DO\n\nC...Initial gas phase partial pressures (atm)\nC... = initial partial pressure - amount deposited partial pressure\n\n INITGAS( LSO2 ) = GAS( LSO2 ) * PRES_ATM\n & + DS4( 0 ) * XL\n & - ( WETDEP( LSO3L ) + WETDEP( LHSO3L ) + WETDEP( LSO2L ) ) * XC2\n INITGAS( LNH3 ) = GAS( LNH3 ) * PRES_ATM\n & + ( LOADING( LNH4, ACC ) + LOADING( LNH4, COR ) + LOADING( LNH4, AKN ) ) * XL\n & - ( WETDEP( LNH4ACCL ) + WETDEP( LNH3L ) + WETDEP( LNH4CORL ) ) * XC2\n INITGAS( LHNO3 ) = ( GAS( LHNO3 ) + 2.0 * GAS( LN2O5 ) ) * PRES_ATM\n & + ( LOADING( LNO3, ACC ) + LOADING( LNO3, COR ) + LOADING( LNO3, AKN ) ) * XL\n & - ( WETDEP( LNO3ACCL ) + WETDEP( LHNO3L ) + WETDEP( LNO3CORL ) ) * XC2\n INITGAS( LHCL ) = GAS( LHCL ) * PRES_ATM\n & + ( LOADING( LCL, ACC ) + LOADING( LCL, COR ) + LOADING( LCL, AKN ) ) * XL ! new for sea salt\n & - ( WETDEP( LCLACCL ) + WETDEP( LHCLL ) + WETDEP( LCLCORL ) ) * XC2\n INITGAS( LH2O2 ) = GAS( LH2O2 ) * PRES_ATM - WETDEP( LH2O2L ) * XC2\n INITGAS( LO3 ) = GAS( LO3 ) * PRES_ATM - WETDEP( LO3L ) * XC2\n INITGAS( LFOA ) = GAS( LFOA ) * PRES_ATM\n & - ( WETDEP( LFOAL ) + WETDEP( LHCO2L ) ) * XC2\n INITGAS( LMHP ) = GAS( LMHP ) * PRES_ATM - WETDEP( LMHPL ) * XC2\n INITGAS( LPAA ) = GAS( LPAA ) * PRES_ATM - WETDEP( LPAAL ) * XC2\n INITGAS( LCO2 ) = GAS( LCO2 ) * PRES_ATM\n! & + ( LOADING( LCACO3, COR ) + LOADING( LMGCO3, COR ) ) * XL\n & - ( WETDEP( LCO3L ) + WETDEP( LHCO3L ) + WETDEP( LCO2L ) ) * XC2\n INITGAS( LGLY ) = GAS( LGLY ) * PRES_ATM\n & + DGLY1 * XL\n & - WETDEP( LGLYL ) * XC2\n INITGAS( LMGLY ) = GAS( LMGLY ) * PRES_ATM\n & + DMGLY1 * XL\n & - WETDEP( LMGLYL ) * XC2\n INITGAS( LHO ) = GAS( LHO ) * PRES_ATM\n!steadystate & + DOH1 * XL\n!steadystate & - WETDEP( LOHL ) * XC2\n\n\n\nC...Molar concentrations of soluble aerosols\nC... = Initial amount - amount deposited (mol/liter)\n\n TS6COR = MAX( LOADING( LSO4, COR ) - WETDEP( LTS6CORL ) * XC1, 0.0D0 )\n NO3COR = MAX( LOADING( LNO3, COR ) - WETDEP( LNO3CORL ) * XC1, 0.0D0 )\n! NACOR = MAX( LOADING( LNA, COR ) - WETDEP( LNACORL ) * XC1, 0.0D0 ) ! SLN 29March2011\n CLCOR = MAX( LOADING( LCL, COR ) - WETDEP( LCLCORL ) * XC1, 0.0D0 )\n NH4COR = MAX( LOADING( LNH4, COR ) - WETDEP( LNH4CORL ) * XC1, 0.0D0 )\n SOILCOR = MAX( LOADING( LSOILC,COR ) - WETDEP( LSOILCL ) * XC1, 0.0D0 ) ! SLN 16March2011\n ANTHCOR = MAX( LOADING( LANTHC,COR ) - WETDEP( LANTHCL ) * XC1, 0.0D0 ) ! SLN 16March2011\n SEASCOR = MAX( LOADING( LSEASC,COR ) - WETDEP( LSEASCL ) * XC1, 0.0D0 ) ! SLN 16March2011\n FECOR = SOIL_FE_FAC * SOILCOR + CORS_FE_FAC * ANTHCOR ! SLN 22Mar2011\n MNCOR = SOIL_MN_FAC * SOILCOR + CORS_MN_FAC * ANTHCOR\n NACOR = SEAS_NA_FAC * SEASCOR + SOIL_NA_FAC * SOILCOR + CORS_NA_FAC * ANTHCOR\n MGCOR = SEAS_MG_FAC * SEASCOR + SOIL_MG_FAC * SOILCOR + CORS_MG_FAC * ANTHCOR\n CACOR = SEAS_CA_FAC * SEASCOR + SOIL_CA_FAC * SOILCOR + CORS_CA_FAC * ANTHCOR\n KCOR = SEAS_K_FAC * SEASCOR + SOIL_K_FAC * SOILCOR + CORS_K_FAC * ANTHCOR\n\n TS6 = LOADING( LSO4, AKN ) + LOADING( LSO4, ACC ) + TS6COR\n & - ( WETDEP( LSO4ACCL ) + WETDEP( LHSO4ACCL ) ) * XC1\n & - DS4( 0 )\n\n NA = LOADING( LNA, ACC ) + LOADING( LNA, AKN ) + NACOR\n & - WETDEP( LNAACCL ) * XC1\n! CA = LOADING( LCACO3,COR ) - WETDEP( LCAL ) * XC1\n! MG = LOADING( LMGCO3,COR ) - WETDEP( LMGL ) * XC1\n! K = LOADING( LK, COR ) - WETDEP( LKL ) * XC1\n! FE = LOADING( LA3FE, COR ) - WETDEP( LFEL ) * XC1\n! MN = LOADING( LB2MN, COR ) - WETDEP( LMNL ) * XC1\n CA = LOADING( LCAACC, ACC) - WETDEP( LCAACCL ) * XC1 + CACOR\n MG = LOADING( LMGACC, ACC) - WETDEP( LMGACCL ) * XC1 + MGCOR\n K = LOADING( LKACC, ACC) - WETDEP( LKACCL ) * XC1 + KCOR\n FE = LOADING( LFEACC, ACC) - WETDEP( LFEACCL ) * XC1 + FECOR\n MN = LOADING( LMNACC, ACC) - WETDEP( LMNACCL ) * XC1 + MNCOR\n SOA = LOADING( LSOA, ACC ) + LOADING( LSOA, AKN ) - WETDEP( LSOAL ) * XC1\n ORGC = LOADING( LORGC, ACC ) + DORGC - WETDEP( LORGCL ) * XC1 ! new in-cloud organic\n POA = LOADING( LPOA, ACC ) + LOADING( LPOA, AKN ) - WETDEP( LPOAL ) * XC1\n EC = LOADING( LEC, ACC ) + LOADING( LEC, AKN ) - WETDEP( LECL ) * XC1\n PRIM = LOADING( LPRI, ACC ) + LOADING( LPRI, AKN ) - WETDEP( LPRIML ) * XC1\n! PRIMCOR = LOADING( LPRICOR, COR ) - WETDEP( LPRIMCORL ) * XC1\n NUMCOR = LOADING( LNUM, COR ) - WETDEP( LNUMCORL ) * XC1\n! A = 3.0D0 * FE\n! B = 2.0D0 * MN\n\n TRACI = LOADING( LTRACER_AKN, AKN ) - WETDEP( LTRACIL ) * XC1\n\tPOAI = LOADING( LPOA, AKN ) - WETDEP( LPOAIL ) * XC1\n\tPRII = LOADING( LPRI, AKN ) - WETDEP( LPRIIL ) * XC1\n\tSOAI = LOADING( LSOA, AKN ) - WETDEP( LSOAIL ) * XC1\n\n! FE_OX = 0.5D0 * 0.62D0 * FE ! SLN 28March2011\n! MN_OX = 1.0D0 * 0.84D0 * MN ! SLN 28March2011\n\nC...don't allow aerosol concentrations to go below zero\n\n TS6 = MAX( TS6, 0.0D0 )\n NA = MAX( NA, 0.0D0 )\n CA = MAX( CA, 0.0D0 )\n MG = MAX( MG, 0.0D0 )\n K = MAX( K, 0.0D0 )\n FE = MAX( FE, 0.0D0 )\n MN = MAX( MN, 0.0D0 )\n SOA = MAX( SOA, 0.0D0 )\n ORGC = MAX( ORGC, 0.0D0 )\n POA = MAX( POA, 0.0D0 )\n EC = MAX( EC, 0.0D0 )\n PRIM = MAX( PRIM, 0.0D0 )\n! PRIMCOR = MAX( PRIMCOR, 0.0D0 )\n NUMCOR = MAX( NUMCOR, 0.0D0 )\n\t\n\tTRACI = MAX( TRACI, 0.0D0 )\n\tPOAI = MAX( POAI, 0.0D0 )\n\tPRII = MAX( PRII, 0.0D0 )\n\tSOAI = MAX( SOAI, 0.0D0 )\n\n FE_OX = FE_III * FE_SOL * FE ! GS 01July2011\n MN_OX = MN_II * MN_SOL * MN ! GS 01July2011\n\n A = 3.0D0 * FE_OX\n B = 2.0D0 * MN_OX\n\n SK6TS6 = SK6 * TS6\n\nC...find solution of the equation using a method of reiterative\nC... bisections Make initial guesses for pH: between .01 to 10.\n\n HA = 0.01D0\n HB = 10.0D0\n\nC...For TXHG Version perturb HCL with CL2 dissociation\n\n INITGAS( LHCL ) = INITGAS( LHCL ) + CL_VIA_PCL2 * XL\n\nC...Gas Species specific to TXHG Versions\n\n INITGAS( LHO2 ) = GAS( LHO2 ) * PRES_ATM\n & - WETDEP( LHO2L ) * XC2\n INITGAS( LCL2 ) = GAS( LCL2 ) * PRES_ATM\n & - WETDEP( LCL2L ) * XC2\n & - XL * LHOCL_VIA_LCL2\n INITGAS( LHOCL ) = GAS( LHOCL ) * PRES_ATM\n & - WETDEP( LHOCLL ) * XC2\n & + XL * LHOCL_VIA_LCL2\n INITGAS( LHG ) = GAS( LHG ) * PRES_ATM\n & + DELTA_HGO * XL\n & - WETDEP( LHGL ) * XC2\n INITGAS( LHGIIGAS ) = GAS( LHGIIGAS ) * PRES_ATM\n & + DELTA_HGIIGAS * XL\n & - WETDEP( LHGIIGASL ) * XC2\n\nC...don't allow gas concentrations to go below zero\n\n DO IGAS = 1, NGAS\n INITGAS( IGAS ) = MAX( INITGAS( IGAS ), 0.0D0 )\n END DO\n\nC...Aerosol specific to TXHG Versions\n\n TRACER = LOADING( LTRACER_ACC, ACC ) + LOADING( LTRACER_AKN, AKN )\n & - WETDEP( LTRACERL ) * XC1\n TRACERCOR = LOADING( LTRACER_COR, COR ) - WETDEP( LTRACERCORL ) * XC1\n\nC...Concentrations of sorbed Hg species = Initial amount - amount deposited (mol/liter)\n\n SHGCL2 = DHG( ISHGCL2 ) - DHG( IDHGCL2 )\n & - WETDEP( LSHGCL2L ) * XC1\n\n SHGSO3 = DHG( ISHGSO3 ) - DHG( IDHGSO3 )\n & - WETDEP(LSHGSO3L) * XC1\n\n SHGDISULF = DHG( ISHGDISULF ) - DHG( IDHGDISULF )\n & - WETDEP(LSHGDISULFL) * XC1\n\n SHGII = DHG( ISHGII ) - DHG( IDHGII )\n & - WETDEP( LSHGIIL ) * XC1\n\n SHGOHP = DHG( ISHGOHP ) - DHG( IDHGOHP )\n & - WETDEP(LSHGOHPL) * XC1\n\n SHGHY = DHG( ISHGHY ) - DHG( IDHGHY )\n & - WETDEP( LSHGHYL ) * XC1\n\n SHGOHCL = DHG( ISHGOHCL ) - DHG( IDHGOHCL )\n & - WETDEP( LSHGOHCLL ) * XC1\n\n SHGCL2 = MAX( SHGCL2, 0.0D0 )\n SHGSO3 = MAX( SHGSO3, 0.0D0 )\n SHGDISULF = MAX( SHGDISULF, 0.0D0 )\n SHGII = MAX( SHGII, 0.0D0 )\n SHGOHP = MAX( SHGOHP, 0.0D0 )\n SHGHY = MAX( SHGHY, 0.0D0 )\n SHGOHCL = MAX( SHGOHCL, 0.0D0 )\n\n WETDEP_ADS_HG = WETDEP( LSHGCL2L )\n & + WETDEP( LSHGSO3L )\n & + WETDEP( LSHGDISULFL )\n & + WETDEP( LSHGIIL )\n & + WETDEP( LSHGOHPL )\n & + WETDEP( LSHGHYL )\n & + WETDEP( LSHGOHCLL )\n\n HGCOR = LOADING( LPHG_COR, COR ) - WETDEP( LPHGCORL ) * XC1\n HGCOR = MAX( HGCOR , 0.0D0 )\n\n TRACER = MAX( TRACER, 0.0D0 )\n TRACERCOR = MAX( TRACERCOR, 0.0D0 )\n\nC...Determine the change in HGII_FINE and update previous value\nC...HGII_FINE deposition is accounted above by the depostion of adsorbed mercury.\n\n HGII_FINE = LOADING( LPHG, ACC ) + LOADING( LPHG, AKN )\n! DELT_HGII_FINE = MAX(HGII_FINE - PREV_HGII_FINE, 0.0D0)\n DELT_HGII_FINE = HGII_FINE - PREV_HGII_FINE\n PREV_HGII_FINE = HGII_FINE\n\n DO I7777C = 1, 10001\n\n IF ( I7777C .GE. 10000 ) THEN\n XMSG = 'EXCESSIVE LOOPING AT I7777C'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n\n HA = MAX( HA - 0.8D0, 0.1D0 )\n HB = MIN( HB + 0.8D0, 9.9D0 )\n AE = 10.0D0 ** ( -HA )\n\n RECIPA1 = 1.0D0 / ( AE * ACT1 )\n RECIPA2 = 1.0D0 / ( AE * AE * ACT2 )\n\nC...calculate final gas phase partial pressure of SO2, NH3, HNO3\nC... HCOOH, and CO2 (atm)\n\n PSO2F = INITGAS( LSO2 ) / ( 1.0D0 + XLSO2 * ( 1.0D0 + SO21 * RECIPA1\n & + SO212 * RECIPA2 ) )\n\n PNH3F = INITGAS( LNH3 ) / ( 1.0D0 + XLNH3 * ( 1.0D0 + NH3DH20 * AE ) )\n\n PHCLF = INITGAS( LHCL ) / ( 1.0D0 + XLHCL * ( 1.0D0 + HCL1 * RECIPA1 ) )\n\n PFOAF = INITGAS( LFOA ) / ( 1.0D0 + XL * ( FOAH + FOA1H * RECIPA1 ) )\n\n PHNO3F = INITGAS( LHNO3 ) / ( 1.0D0 + XLHNO3 * ( 1.0D0 + HNO31 * RECIPA1 ) )\n\n PCO2F = INITGAS( LCO2 ) / ( 1.0D0 + XLCO2 * ( 1.0D0 + CO21 * RECIPA1\n & + CO212 * RECIPA2 ) )\n\nC...calculate liquid phase concentrations (moles/liter)\n\n SO4 = SK6TS6 / ( AE * GM2 + SK6 )\n HSO4 = TS6 - SO4\n SO3 = SO212H * PSO2F * RECIPA2\n HSO3 = SO21H * PSO2F * RECIPA1\n CO3 = CO212H * PCO2F * RECIPA2\n HCO3 = CO21H * PCO2F * RECIPA1\n OH = H2OW * RECIPA1\n NH4 = NH31HDH * PNH3F * AE\n HCO2 = FOA1H * PFOAF * RECIPA1\n NO3 = HNO31H * PHNO3F * RECIPA1\n CL = HCL1H * PHCLF * RECIPA1 ! new for sea salt\n\nC...compute functional value\n\n! FA = AE + NH4 + NA + 2.0D0 * ( CA + MG - CO3 - SO3 - SO4 )\n! & - OH - HCO3 - HSO3 - NO3 - HSO4 - HCO2 - CL\n FA = AE + NH4 + NA + K + 2.0D0 * ( CA + MG - CO3 - SO3 - SO4 ) ! SLN 16March2011\n & - OH - HCO3 - HSO3 - NO3 - HSO4 - HCO2 - CL\n\nC...For TXHG Version gases\n\n PHO2F = INITGAS( LHO2 ) / ( 1.0D0 + XLHO2 * ( 1.0D0 + HO21 * RECIPA1 ) )\n PHOCLF = INITGAS( LHOCL ) / ( 1.0D0 + XLHOCL * ( 1.0D0 + HOCL1 * RECIPA1 ) )\n\nC...compute dissolved O2 ion\n\n O2 = HO21 * HO2H * PHO2F * RECIPA1\n\nC..calculate how CL ion and pH effect on PCL2\n\n CL_SAFE = MAX( CL, 1.0D-10)\n RECIPCL1 = 1.0D0 / ( CL_SAFE * ACT1 )\n RECIPCL2 = 1.0D0 / ( CL_SAFE * CL_SAFE * ACT2 )\n\n CL2H_COF = 1.0D0\n & + CL21 * RECIPCL1 * RECIPA1\n & + CL2_HOCL1 * RECIPCL1 * RECIPA2\n\n HEFFCL2 = CL2H * CL2H_COF\n\n PCl2F = INITGAS( LCL2 ) / ( 1.0D0 + XL * CL2H * CL2H_COF )\n\n CL_VIA_PCL2 = CL2H * ( CL2H_COF - 1.0D0 ) * PCL2F\n OCL_VIA_PCL2 = CL2_HOCL1 * CL2H * RECIPCL1 * RECIPA2 * PCL2F\n\nC...Correct CL and calculate OCL\n\n CL_TOTAL = ( CL + CL_VIA_PCL2 )\n CL_SAFE = MAX( CL_TOTAL, 1.0D-10 )\n RECIPCL1 = 1.0D0 / ( CL_SAFE * ACT1 )\n RECIPCL2 = 1.0D0 / ( CL_SAFE * CL_SAFE * ACT2 )\n OCL = HOCL1 * HOCLH * PHOCLF * RECIPA1\n OCL_TOTAL = OCL + OCL_VIA_PCL2\n\nC...Calculate Mercury Gas to Liquid Partitioning\n\n HEFFHGCL2 = XLHGCL2\n & * HGCL2_FACTOR_HLCONST( SO3, OH, CL_TOTAL, ACT2 )\n\n PHGIIGASF = INITGAS( LHGIIGAS ) / ( 1.0D0 + HEFFHGCL2 )\n\n PHGF = INITGAS( LHG ) / ( 1.0D0 + XLHG )\n\n\nC...adjust functional value for CL2 effects\n\n FA = FA - CL_VIA_PCL2 - O2 - OCL_TOTAL\n\nC...Start iteration and bisection ****************<<<<<<<\n DO I30C = 1, 10000\n\n IF ( I30C .GE. 10000 ) THEN\n XMSG = 'EXCESSIVE LOOPING AT I30C'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n\n BB = ( HA + HB ) / 2.0D0\n AE = 10.0D0 ** ( -BB )\n\n ICNTAQ = ICNTAQ + 1\n IF ( ICNTAQ .GE. 60000 ) THEN\n XMSG = 'Maximum AQCHEM total iterations exceeded'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n\n RECIPA1 = 1.0D0 / ( AE * ACT1 )\n RECIPA2 = 1.0D0 / ( AE * AE * ACT2 )\n\nC...calculate final gas phase partial pressure of SO2, NH3, HCL, HNO3\nC... HCOOH, and CO2 (atm)\n\n PSO2F = INITGAS( LSO2 ) / ( 1.0D0 + XLSO2\n & * ( 1.0D0 + SO21 * RECIPA1 + SO212 * RECIPA2 ) )\n\n PNH3F = INITGAS( LNH3 ) / ( 1.0D0 + XLNH3 * ( 1.0D0 + NH3DH20 * AE ) )\n\n PHCLF = INITGAS( LHCL ) / ( 1.0D0 + XLHCL * ( 1.0D0 + HCL1 * RECIPA1 ) )\n\n PHNO3F = INITGAS( LHNO3 ) / ( 1.0D0 + XLHNO3 * ( 1.0D0 + HNO31 * RECIPA1 ) )\n\n PFOAF = INITGAS( LFOA ) / ( 1.0D0 + XL * ( FOAH + FOA1H * RECIPA1 ) )\n\n PCO2F = INITGAS( LCO2 ) / ( 1.0D0 + XLCO2 * ( 1.0D0 + CO21 * RECIPA1\n & + CO212 * RECIPA2 ) )\n\nC...calculate liquid phase concentrations (moles/liter)\n\n SO4 = SK6TS6 / ( AE * GM2 + SK6 )\n HSO4 = TS6 - SO4\n SO3 = SO212H * PSO2F * RECIPA2\n HSO3 = SO21H * PSO2F * RECIPA1\n CO3 = CO212H * PCO2F * RECIPA2\n HCO3 = CO21H * PCO2F * RECIPA1\n OH = H2OW * RECIPA1\n NH4 = NH31HDH * PNH3F * AE\n HCO2 = FOA1H * PFOAF * RECIPA1\n NO3 = HNO31H * PHNO3F * RECIPA1\n CL = HCL1H * PHCLF * RECIPA1 ! new for sea salt\n\nC...compute functional value\n! FB = AE + NH4 + NA + 2.0D0 * ( CA + MG - CO3 - SO3 - SO4 )\n! & - OH - HCO3 - HSO3 - NO3 - HSO4 - HCO2 - CL\n FB = AE + NH4 + NA + K + 2.0D0 * ( CA + MG - CO3 - SO3 - SO4 ) ! SLN 16March2011\n & - OH - HCO3 - HSO3 - NO3 - HSO4 - HCO2 - CL\n\nC...For TXHG Version\n\n PHO2F = INITGAS( LHO2 ) / ( 1.0D0 + XLHO2 * ( 1.0D0 + HO21 * RECIPA1 ) )\n PHOCLF = INITGAS( LHOCL ) / ( 1.0D0 + XLHOCL * ( 1.0D0 + HOCL1 * RECIPA1 ) )\n\nC...compute dissolved O2 ion\n\n O2 = HO21 * HO2H * PHO2F * RECIPA1\n\n!..calculate how CL ion and pH effect on PCL2\n\n CL_SAFE = MAX( CL, 1.0D-10 )\n RECIPCL1 = 1.0D0 / ( CL_SAFE * ACT1 )\n RECIPCL2 = 1.0D0 / ( CL_SAFE * CL_SAFE * ACT2 )\n\n CL2H_COF = 1.0D0\n & + CL21 * RECIPCL1 * RECIPA1\n & + CL2_HOCL1 * RECIPCL1 * RECIPA2\n\n HEFFCL2 = CL2H * CL2H_COF\n\n PCl2F = INITGAS( LCL2 ) / ( 1.0D0 + XL * CL2H * CL2H_COF )\n\n CL_VIA_PCL2 = CL2H * ( CL2H_COF - 1.0D0 ) * PCL2F\n OCL_VIA_PCL2 = CL2_HOCL1 * CL2H * RECIPCL1 * RECIPA2 * PCL2F\n\nC...Correct CL and calculate OCL\n\n CL_TOTAL = ( CL + CL_VIA_PCL2 )\n CL_SAFE = MAX( CL_TOTAL, 1.0D-10 )\n RECIPCL1 = 1.0D0 / ( CL_SAFE * ACT1 )\n RECIPCL2 = 1.0D0 / ( CL_SAFE * CL_SAFE * ACT2 )\n OCL = HOCL1 * HOCLH * PHOCLF * RECIPA1\n OCL_TOTAL = OCL + OCL_VIA_PCL2\n\nC...Calculate Mercuric Gas to Liquid Partitioning\n\n HEFFHGCL2 = XLHGCL2\n & * HGCL2_FACTOR_HLCONST( SO3, OH, CL_TOTAL, ACT2 )\n\n PHGIIGASF = INITGAS( LHGIIGAS ) / ( 1.0D0 + HEFFHGCL2 )\n\n PHGF = INITGAS( LHG ) / ( 1.0D0 + XLHG )\n\nC...adjust functional value for CL2 effects\n\n FB = FB - CL_VIA_PCL2 - O2 - OCL_TOTAL\n\nC...Calculate and check the sign of the product of the two functional values\n\n FTST = FA * FB\n IF ( FTST .LE. 0.0D0 ) THEN\n HB = BB\n ELSE\n HA = BB\n FA = FB\n END IF\n\nC...Check convergence of solutions\n\n HTST = HA / HB\n IF ( HTST .GT. TST ) EXIT ! exit loop I30C\n END DO ! I30C\n\nC...end of zero-finding routine ****************<<<<<<<<<<<<\n\nC...compute Ionic strength and activity coefficient by the Davies equation\n\n STION = 0.5D0\n & * ( AE + NH4 + OH + HCO3 + HSO3\n & + 4.0D0 * ( SO4 + CO3 + SO3 + CA + MG + MN_OX )\n & + NO3 + HSO4 + 9.0D0 * FE_OX + NA + K + CL + A + B + HCO2 ) ! KMF 08September2011\nC & + 4.0D0 * ( SO4 + CO3 + SO3 + CA + MG + MN )\nC & + NO3 + HSO4 + 9.0D0 * FE + NA + K + CL + A + B + HCO2 )\n\nC...for TXHG Version ionic stength for CL2 effects\n\n STION = STION + ( 0.5D0 * ( O2 + CL_VIA_PCL2 + OCL_TOTAL ) )\n\n GM1LOG = -0.509D0 * ( SQRT( STION )\n & / ( 1.0D0 + SQRT( STION ) ) - 0.2D0 * STION )\n GM2LOG = GM1LOG * 4.0D0\n GM1 = 10.0D0 ** GM1LOG\n GM2 = MAX( 10.0D0 ** GM2LOG, 1.0D-30 )\n ACTB = ACT1\n ACT1 = MAX( GM1 * GM1, 1.0D-30 )\n ACT2 = MAX( GM1 * GM1 * GM2, 1.0D-30 )\n\n#ifdef verbose_cloud\n if ( stion .gt. 1.0 ) then\n write( logdev,'( /5x, a, 2i4, i10.6 )' )\n & 'aqchem-I7777C,I20C: ', i7777c, i20c, jtime\n write( logdev,'( 5x, a, e10.3 )' ) 'stion: ', stion\n write( logdev,'( 5x, a, e10.3 )' ) 'AE: ', ae\n write( logdev,'( 5x, a, e10.3 )' ) 'NH4: ', nh4\n write( logdev,'( 5x, a, e10.3 )' ) 'OH: ', oh\n write( logdev,'( 5x, a, e10.3 )' ) 'HCO3: ', hco3\n write( logdev,'( 5x, a, e10.3 )' ) 'HSO3: ', hso3\n write( logdev,'( 5x, a, e10.3 )' ) 'SO4: ', so4\n write( logdev,'( 5x, a, e10.3 )' ) 'CO3: ', co3\n write( logdev,'( 5x, a, e10.3 )' ) 'SO3: ', so3\n write( logdev,'( 5x, a, e10.3 )' ) 'CA: ', ca\n write( logdev,'( 5x, a, e10.3 )' ) 'MG: ', mg\n write( logdev,'( 5x, a, e10.3 )' ) 'MN: ', mn\n write( logdev,'( 5x, a, e10.3 )' ) 'NO3: ', no3\n write( logdev,'( 5x, a, e10.3 )' ) 'HSO4: ', hso4\n write( logdev,'( 5x, a, e10.3 )' ) 'FE: ', fe\n write( logdev,'( 5x, a, e10.3 )' ) 'NA: ', na\n write( logdev,'( 5x, a, e10.3 )' ) 'K: ', k\n write( logdev,'( 5x, a, e10.3 )' ) 'CL: ', cl\n write( logdev,'( 5x, a, e10.3 )' ) 'CL from CL2: ', CL_VIA_PCL2\n write( logdev,'( 5x, a, e10.3 )' ) 'O2-: ', O2\n write( logdev,'( 5x, a, e10.3 )' ) 'OCL: ', OCL_TOTAL\n write( logdev,'( 5x, a, e10.3 )' ) 'A: ', a\n write( logdev,'( 5x, a, e10.3 )' ) 'B: ', b\n write( logdev,'( 5x, a, e10.3 )' ) 'HCO2: ', hco2\n write( logdev,'( 5x, a, e10.3 )' ) 'gm1log:', gm1log\n write( logdev,'( 5x, a, e10.3 )' ) 'gm2log:', gm2log\n write( logdev,'( 5x, a, e10.3 )' ) 'gm1: ', gm1\n write( logdev,'( 5x, a, e10.3 )' ) 'gm2: ', gm2\n write( logdev,'( 5x, a, e10.3 )' ) 'actb: ', actb\n write( logdev,'( 5x, a, e10.3 )' ) 'act1: ', act1\n write( logdev,'( 5x, a, e10.3 )' ) 'act2: ', act2\n end if\n#endif\n\nC...check for convergence and possibly go to I7777C, to recompute\nC... Gas and liquid phase concentrations\n\n TAC = ABS( ACTB - ACT1 ) / ACTB\n IF ( TAC .LT. 1.0D-2 ) EXIT ! exit loop I7777C\n END DO ! end of do loop I7777C\n\nC...return an error if the pH is not in range\n\n IF ( ( HA .LT. 0.1D0 ) .OR. ( HA .GT. 9.9D0 ) ) THEN\n! write( logdev,* ) ha\n XMSG = 'PH VALUE OUT OF RANGE'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n\nC...Make those concentration calculations which can be made outside\nC... of the function.\n\n SO2L = SO2H * PSO2F\n HPLUS = 10.0D0 ** ( -BB )\n SIV = SO3 + HSO3 + SO2L\n\nC...Calculate final gas phase concentrations of oxidants (atm)\n\n PH2O2F = ( INITGAS( LH2O2 ) + XL * DS4( 1 ) ) / ( 1.0D0 + XLH2O2 )\n PO3F = ( INITGAS( LO3 ) + XL * DS4( 2 ) ) / ( 1.0D0 + XLO3 )\n PMHPF = ( INITGAS( LMHP ) + XL * DS4( 4 ) ) / ( 1.0D0 + XLMHP )\n PPAAF = ( INITGAS( LPAA ) + XL * DS4( 5 ) ) / ( 1.0D0 + XLPAA )\n PGLYF = ( INITGAS( LGLY ) ) / ( 1.0D0 + GLYH * XL )\n PMGLYF = ( INITGAS( LMGLY ) ) / ( 1.0D0 + MGLYH * XL )\n PHOF = ( INITGAS( LHO ) ) / ( 1.0D0 + HOH * XL)\n\n PH2O2F = MAX( PH2O2F, 0.0D0 )\n PO3F = MAX( PO3F, 0.0D0 )\n PMHPF = MAX( PMHPF, 0.0D0 )\n PPAAF = MAX( PPAAF, 0.0D0 )\n\nC...Calculate liquid phase concentrations of oxidants (moles/liter)\n\n H2O2L = PH2O2F * H2O2H\n O3L = PO3F * O3H\n MHPL = PMHPF * MHPH\n PAAL = PPAAF * PAAH\n FOAL = PFOAF * FOAH\n NH3L = PNH3F * NH3H\n CO2L = PCO2F * CO2H\n HCLL = PHCLF * HCLH\n HNO3L = PHNO3F * HNO3H\n GLYL = PGLYF * GLYH\n MGLYL = PMGLYF * MGLYH\n OHL = PHOF * HOH\n\nC...Calculate liquid phase oxidant for TXHG Version\n\n HO2L = PHO2F * HO2H\n CL2L = PCL2F * CL2H\n HOCL_L = PHOCLF * HOCLH\n\nC... Mercuric liquid phase concentrations (moles/liter)\n\n HGL = PHGF * HGH\n HGCL2L = PHGIIGASF * HGCL2H\n HGII = HGCL2L * HGCL21 * RECIPCL2\n HGSO3 = HGII * SO3 * HGSO31I\n HGDISULF = HGSO3 * SO3 * HGDISULF1I\n HGOHP = HGII * OH * HGOHP1I\n HGHY = HGOHP * OH * HGHY1I\n HGOHCL = HGOHP * CL_TOTAL * HGOHCL1I\n\n TOTAL_LHGIIGAS = HGCL2L + HGDISULF + HGSO3 + HGOHP\n & + HGOHCL + HGHY + HGII\n\n ADSORBED_HG = ADSORBED_HG + DELT_HGII_FINE\n\nC...Speciate liquid particulate phase mercury into adsorbed species\nC...and add to change array\n\n IF ( TOTAL_LHGIIGAS .GT. 0.0D0 ) THEN\n\nC....based on speciation of liquid HGII via HGIIGAS\n\n SPECIATE = DELT_HGII_FINE / TOTAL_LHGIIGAS\n AHGCL2 = SPECIATE * HGCL2L\n AHGII = SPECIATE * HGII\n AHGSO3 = SPECIATE * HGSO3\n AHGDISULF = SPECIATE * HGDISULF\n AHGOHP = SPECIATE * HGOHP\n AHGHY = SPECIATE * HGHY\n AHGOHCL = SPECIATE * HGOHCL\n\n ELSE ! evenly into various species\n\n SPECIATE = DELT_HGII_FINE / 7.0D0\n AHGCL2 = SPECIATE\n AHGII = SPECIATE\n AHGSO3 = SPECIATE\n AHGDISULF = SPECIATE\n AHGOHP = SPECIATE\n AHGHY = SPECIATE\n AHGOHCL = SPECIATE\n\n END IF\n\nC...Update adsorbed species and their differentials\n\n SHGCL2 = SHGCL2 + AHGCL2\n SHGII = SHGII + AHGII\n SHGSO3 = SHGSO3 + AHGSO3\n SHGDISULF = SHGDISULF + AHGDISULF\n SHGOHP = SHGOHP + AHGOHP\n SHGHY = SHGHY + AHGHY\n SHGOHCL = SHGOHCL + AHGOHCL\n\n DHG( ISHGCL2 ) = DHG( ISHGCL2 ) + AHGCL2\n DHG( ISHGII ) = DHG( ISHGII ) + AHGII\n DHG( ISHGSO3 ) = DHG( ISHGSO3 ) + AHGSO3\n DHG( ISHGDISULF ) = DHG( ISHGDISULF ) + AHGDISULF\n DHG( ISHGOHP ) = DHG( ISHGOHP ) + AHGOHP\n DHG( ISHGHY ) = DHG( ISHGHY ) + AHGHY\n DHG( ISHGOHCL ) = DHG( ISHGOHCL ) + AHGOHCL\n\nC...compute modal concentrations\n\n SO4COR = SK6 * TS6COR / ( AE * GM2 + SK6 )\n HSO4COR = MAX( TS6COR - SO4COR, 0.0D0 )\n\n TS6ACC = MAX( TS6 - TS6COR, 0.0D0 )\n SO4ACC = MAX( SO4 - SO4COR, 0.0D0 )\n HSO4ACC = MAX( HSO4 - HSO4COR, 0.0D0 )\n NAACC = MAX( NA - NACOR, 0.0D0 )\n CAACC = MAX( CA - CACOR, 0.0D0 ) ! AE6\n MGACC = MAX( MG - MGCOR, 0.0D0 ) ! AE6\n KACC = MAX( K - KCOR, 0.0D0 ) ! AE6\n FEACC = MAX( FE - FECOR, 0.0D0 ) ! AE6\n MNACC = MAX( MN - MNCOR, 0.0D0 ) ! AE6\n\nC...Avoid adding mass when the coarse mode concentration is greater\nC... than the total amount left in the aqueous phase after redistribution\nC... of a species between the gas/aqueous phases\n\n IF ( NO3COR .GT. NO3 ) then\n NO3ACC = (1.0D0 - FNO3COR) * NO3\n NO3COR = FNO3COR * NO3\n ELSE\n NO3ACC = MAX( NO3 - NO3COR, 0.0D0 )\n END IF\n\n IF ( CLCOR .GT. CL ) then\n CLACC = (1.0D0 - FCLCOR) * CL\n CLCOR = FCLCOR * CL\n ELSE\n CLACC = MAX( CL - CLCOR, 0.0D0 )\n END IF\n\n IF ( NH4COR .GT. NH4 ) THEN\n NH4ACC = (1.0D0 - FNH4COR) * NH4\n NH4COR = FNH4COR * NH4\n ELSE\n NH4ACC = MAX( NH4 - NH4COR, 0.0D0 )\n END IF\n\nC...load the liquid concentration array with current values\n\n LIQUID( LACL ) = HPLUS\n LIQUID( LNH4ACCL ) = NH4ACC\n LIQUID( LCACORL ) = CACOR\n LIQUID( LNAACCL ) = NAACC\n LIQUID( LOHL ) = OHL\n LIQUID( LSO4ACCL ) = SO4ACC\n LIQUID( LHSO4ACCL ) = HSO4ACC\n LIQUID( LSO3L ) = SO3\n LIQUID( LHSO3L ) = HSO3\n LIQUID( LSO2L ) = SO2L\n LIQUID( LCO3L ) = CO3\n LIQUID( LHCO3L ) = HCO3\n LIQUID( LCO2L ) = CO2L\n LIQUID( LNO3ACCL ) = NO3ACC\n LIQUID( LNH3L ) = NH3L\n LIQUID( LCLACCL ) = CLACC\n LIQUID( LH2O2L ) = H2O2L\n LIQUID( LO3L ) = O3L\n LIQUID( LFECORL ) = FECOR\n LIQUID( LMNCORL ) = MNCOR\n LIQUID( LAL ) = A\n LIQUID( LFOAL ) = FOAL\n LIQUID( LHCO2L ) = HCO2\n LIQUID( LMHPL ) = MHPL\n LIQUID( LPAAL ) = PAAL\n LIQUID( LHCLL ) = HCLL\n LIQUID( LPRIML ) = PRIM\n LIQUID( LMGCORL ) = MGCOR\n LIQUID( LKCORL ) = KCOR\n LIQUID( LBL ) = B\n LIQUID( LHNO3L ) = HNO3L\n! LIQUID( LPRIMCORL ) = PRIMCOR\n LIQUID( LNUMCORL ) = NUMCOR\n LIQUID( LTS6CORL ) = TS6COR\n LIQUID( LNACORL ) = NACOR\n LIQUID( LCLCORL ) = CLCOR\n LIQUID( LNO3CORL ) = NO3COR\n LIQUID( LNH4CORL ) = NH4COR\n LIQUID( LPOAL ) = POA\n LIQUID( LECL ) = EC\n LIQUID( LSOAL ) = SOA\n LIQUID( LORGCL ) = ORGC\n LIQUID( LGLYL ) = GLYL\n LIQUID( LMGLYL ) = MGLYL\n LIQUID( LCAACCL ) = CAACC ! AE6 - SLN 16March2011\n LIQUID( LMGACCL ) = MGACC ! AE6 - SLN 16March2011\n LIQUID( LKACCL ) = KACC ! AE6 - SLN 16March2011\n LIQUID( LSOILCL ) = SOILCOR ! AE6 - SLN 16March2011\n LIQUID( LANTHCL ) = ANTHCOR ! AE6 - SLN 16March2011\n LIQUID( LSEASCL ) = SEASCOR ! AE6 - SLN 16March2011\n LIQUID( LFEACCL ) = FEACC ! AE6 - SLN 22March2011\n LIQUID( LMNACCL ) = MNACC ! AE6 - SLN 22March2011\n\t\n\tLIQUID( LTRACIL ) = TRACI\n\tLIQUID( LPOAIL ) = POAI\n\tLIQUID( LPRIIL ) = PRII\n\tLIQUID( LSOAIL ) = SOAI\n\nC...Load array variable TXHG Version\n\n LIQUID( LTRACERL ) = TRACER\n LIQUID( LTRACERCORL ) = TRACERCOR\n LIQUID( LPHGCORL ) = HGCOR\n LIQUID( LHO2L ) = HO2L + O2\n LIQUID( LCL2L ) = CL2L\n LIQUID( LHOCLL ) = HOCL_L + OCL\n LIQUID( LHGDISULFL ) = HGDISULF\n LIQUID( LHGL ) = HGL\n LIQUID( LHGIIGASL ) = HGCL2L\n LIQUID( LHGIIL ) = HGII\n LIQUID( LHGOHPL ) = HGOHP\n LIQUID( LHGHYL ) = HGHY\n LIQUID( LHGOHCLL ) = HGOHCL\n LIQUID( LSHGCL2L ) = SHGCL2\n LIQUID( LSHGSO3L ) = SHGSO3\n LIQUID( LSHGDISULFL ) = SHGDISULF\n LIQUID( LSHGIIL ) = SHGII\n LIQUID( LSHGOHPL ) = SHGOHP\n LIQUID( LSHGHYL ) = SHGHY\n LIQUID( LSHGOHCLL ) = SHGOHCL\n\nC...Update for CL2 effects\n\n LHOCL_VIA_LCL2 = LHOCL_VIA_LCL2 + CL2H * ( CL2H_COF - 1.0 ) * PCL2F\n CL_VIA_PCL2 = LHOCL_VIA_LCL2\n HOCL_L = HOCL_L + CL2H * ( CL2H_COF - 1.0D0 ) * PCL2F\n OCL = OCL + CL2H * CL2_HOCL1 * RECIPCL1 * RECIPA2 * PCL2F\n\nC...if the maximum cloud lifetime has not been reached, then compute\nC... the next timestep, else exit loop 20.\n\n IF ( TIMEW .GE. TAUCLD ) EXIT ! exit 20 loop\n\nC...make kinetics calculations\nC... note: DS4(i) and DSIV(I) are negative numbers!\n\n DTRMV = TAUCLD / 3.0D0\n IF ( ( CTHK1 .GT. 1.0D-10 ) .AND. ( PRCRATE .GT. 1.0D-10 ) )\n & DTRMV = 3.6D0 * WTAVG * 1000.0D0 * CTHK1 / PRCRATE ! << ppmV\n! REAL, PARAMETER :: CNV3 = CNV2 / AVO ! -> mol/mol\n REAL, PARAMETER :: CNV3 = CNV2 ! -> #/mol\n REAL, PARAMETER :: CNV3I = 1.0 / CNV3\n\nC...........ARGUMENTS\n\n! REAL CGRID( NCOLS, NROWS, NLAYS, * ) ! concentrations\n! REAL :: CGRID( :,:,:,: ) ! concentrations\n REAL, POINTER :: CGRID( :,:,:,: ) ! concentrations\n INTEGER JDATE ! current model date, coded YYYYDDD\n INTEGER JTIME ! current model time, coded HHMMSS\n INTEGER TSTEP( 3 ) ! model time step, coded HHMMSS\n\nC...........Local Variables\n\n LOGICAL, SAVE :: FIRSTIME = .TRUE. ! flag for first pass thru\n\n CHARACTER( 16 ), SAVE :: PNAME = 'CLDPROC' ! driver program name\n CHARACTER( 16 ) :: VNAME ! input variable name list\n\n INTEGER COL ! column subscript indices\n INTEGER FINI ! ending position\n INTEGER L ! loop counter\n INTEGER LAY ! layer subscript indices\n INTEGER MDATE ! middle of this time step\n INTEGER MTIME ! middle of this time step\n INTEGER NDATE ! middle of this time step\n INTEGER NTIME ! middle of this time step\n INTEGER, SAVE :: WSTEP = 0 ! local write counter\n INTEGER, SAVE :: NNAE ! number of #/m3 species\n INTEGER, SAVE :: NQAE ! number of ug/m3 species\n INTEGER, SAVE :: NSAE ! number of m2/m3 species\n INTEGER ROW ! row subscript indices\n INTEGER SPC ! species subscript indices\n INTEGER STRT ! starting position\n INTEGER VAR ! variable subscript indices\n INTEGER ALLOCSTAT\n INTEGER, ALLOCATABLE, SAVE :: WDEP_MAP( : ) ! wet deposition map to CGRID\n INTEGER, ALLOCATABLE, SAVE :: QAE( : ) ! CGRID pointer to ug/m3 species\n INTEGER, ALLOCATABLE, SAVE :: NAE( : ) ! CGRID pointer to #/m3 species\n INTEGER, ALLOCATABLE, SAVE :: SAE( : ) ! CGRID pointer to m2/m3 species\n\n\n! REAL DENS ( NCOLS,NROWS,NLAYS ) ! air density (kg/m3)\n! REAL CONV_DEP( NCOLS,NROWS,N_SPC_WDEP+8 ) ! convective wdep only\n! REAL TOT_DEP ( NCOLS,NROWS,N_SPC_WDEP+1 ) ! total wdep\n REAL, ALLOCATABLE, SAVE :: DENS ( :,:,: ) ! air density (kg/m3)\n REAL, ALLOCATABLE, SAVE :: CONV_DEP( :,:,: ) ! convective wdep only\n REAL, ALLOCATABLE, SAVE :: TOT_DEP ( :,:,: ) ! total wdep\n REAL, ALLOCATABLE, SAVE :: RESTRANS( :,: ) ! resolved cloud transmissivity\n REAL, ALLOCATABLE, SAVE :: SUBTRANS( :,:,: ) ! subgrid cloud transmissivity\n\n REAL ACCM_WDEP ! accumulated wet dep for Hg bidi\n\n REAL FAC ! temp conversion factor\n REAL CCMIN\n\nC...........EXTERNAL FUNCTIONS\n\n INTERFACE\n SUBROUTINE RESCLD ( CGRID, JDATE, JTIME, TSTEP,\n & N_SPC_WDEP, WDEP_MAP, DEP, RESTRANS )\n REAL, POINTER :: CGRID( :,:,:,: )\n INTEGER, INTENT( IN ) :: JDATE\n INTEGER, INTENT( IN ) :: JTIME\n INTEGER, INTENT( IN ) :: TSTEP( 3 )\n INTEGER, INTENT( IN ) :: N_SPC_WDEP\n INTEGER, INTENT( IN ) :: WDEP_MAP( : )\n REAL, INTENT( INOUT ) :: DEP( :,:,: )\n REAL, INTENT( OUT ) :: RESTRANS( :,: )\n END SUBROUTINE RESCLD\n SUBROUTINE CONVCLD_ACM ( CGRID, JDATE, JTIME, TSTEP,\n & N_SPC_WDEP, WDEP_MAP, CONV_DEP, SUBTRANS )\n REAL, POINTER :: CGRID( :,:,:,: )\n INTEGER, INTENT( IN ) :: JDATE\n INTEGER, INTENT( IN ) :: JTIME\n INTEGER, INTENT( IN ) :: TSTEP( 3 )\n INTEGER, INTENT( IN ) :: N_SPC_WDEP\n INTEGER, INTENT( IN ) :: WDEP_MAP( : )\n REAL, INTENT( INOUT ) :: CONV_DEP( :,:,: )\n REAL, INTENT( OUT ) :: SUBTRANS( :,:,: )\n END SUBROUTINE CONVCLD_ACM\n END INTERFACE\nC-----------------------------------------------------------------------\nC begin body of subroutine CLDPROC\n\nC...Initialization\n\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n\nC...first check to make sure that some species in CGRID were specified\nC...for output in the wet deposition array, otherwise notify the user\nC...and return\n\n N_SPC_WDEP = N_GC_WDEP + N_AE_WDEP + N_NR_WDEP + N_TR_WDEP\n ALLOCATE ( WDEP_MAP( N_SPC_WDEP ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating WDEP_MAP'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n IF ( N_SPC_WDEP .LE. 0 ) THEN\n\n XMSG = 'No species were specified for wet deposition ' //\n & 'tracking'\n CALL M3WARN ( PNAME, JDATE, JTIME, XMSG )\n\n XMSG = 'ONLY CLOUD DIAGNOSTICS WILL BE WRITTEN TO THE ' //\n & 'WETDEP OUTPUT FILE!'\n CALL M3MESG ( XMSG )\n\n END IF\n\nC...check to see if user wants to output extra diagnostic files\n\n SPC = 0\n STRT = 1\n FINI = N_GC_WDEP\n DO VAR = STRT, FINI\n SPC = SPC + 1\n WDEP_MAP( VAR ) = GC_STRT - 1 + GC_WDEP_MAP( SPC )\n END DO\n\n SPC = 0\n STRT = N_GC_WDEP + 1\n FINI = N_GC_WDEP + N_AE_WDEP\n DO VAR = STRT, FINI\n SPC = SPC + 1\n WDEP_MAP( VAR ) = AE_STRT - 1 + AE_WDEP_MAP( SPC )\n END DO\n\n SPC = 0\n STRT = N_GC_WDEP + N_AE_WDEP + 1\n FINI = N_GC_WDEP + N_AE_WDEP + N_NR_WDEP\n DO VAR = STRT, FINI\n SPC = SPC + 1\n WDEP_MAP( VAR ) = NR_STRT - 1 + NR_WDEP_MAP( SPC )\n END DO\n\n SPC = 0\n STRT = N_GC_WDEP + N_AE_WDEP + N_NR_WDEP + 1\n FINI = N_GC_WDEP + N_AE_WDEP + N_NR_WDEP + N_TR_WDEP\n DO VAR = STRT, FINI\n SPC = SPC + 1\n WDEP_MAP( VAR ) = TR_STRT - 1 + TR_WDEP_MAP( SPC )\n END DO\n\n IF ( N_AE_SPC .GT. 0 ) THEN\nC...create aerosol species pointers to distinguish micro-grams / m**3\nC... # / m**3 (number density), and m**2 / m**3 (surface area) units\n\n ALLOCATE ( QAE( N_AE_SPC ),\n & NAE( N_AE_SPC ),\n & SAE( N_AE_SPC ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating QAE, NAE, or SAE'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n NQAE = 0 ! number of ug/m3 species\n NNAE = 0 ! number of #/m3 species\n NSAE = 0 ! number of m2/m3 species\n\n DO VAR = 1, N_AE_SPC\n IF ( AE_SPC( VAR )( 1:3 ) .EQ. 'NUM' ) THEN\n NNAE = NNAE + 1\n NAE( NNAE ) = AE_STRT - 1 + VAR\n ELSE IF ( AE_SPC( VAR )( 1:3 ) .EQ. 'SRF' ) THEN\n NSAE = NSAE + 1\n SAE( NSAE ) = AE_STRT - 1 + VAR\n ELSE\n NQAE = NQAE + 1\n QAE( NQAE ) = AE_STRT - 1 + VAR\n END IF\n END DO\n\n END IF\n\nC...initialize the deposition array before processing clouds\n\n ALLOCATE ( TOT_DEP ( NCOLS,NROWS,N_SPC_WDEP+1 ),\n & STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating TOT_DEP'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n TOT_DEP = 0.0 ! array assignment\n\n ALLOCATE ( CONV_DEP( NCOLS,NROWS,N_SPC_WDEP+8+4 ),\n & STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating CONV_DEP'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n CONV_DEP = 0.0 ! array assignment\n\n ALLOCATE ( RESTRANS ( NCOLS,NROWS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating RESTRANS'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n RESTRANS = 1.0 ! array assignment\n\n ALLOCATE ( SUBTRANS ( NCOLS,NROWS,2 ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating SUBTRANS'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n SUBTRANS = 1.0 ! array assignment\n\n ALLOCATE ( DENS( NCOLS,NROWS,NLAYS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating DENS'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n#ifdef parallel_io\n IF ( .NOT. IO_PE_INCLUSIVE ) THEN\n IF ( .NOT. OPEN3( CTM_WET_DEP_1, FSREAD3, PNAME ) ) THEN\n XMSG = 'Could not open ' // TRIM( CTM_WET_DEP_1 )\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END IF\n IF ( CLD_DIAG ) THEN\n IF ( .NOT. IO_PE_INCLUSIVE ) THEN\n IF ( .NOT. OPEN3( CTM_WET_DEP_2, FSREAD3, PNAME ) ) THEN\n XMSG = 'Could not open ' // TRIM( CTM_WET_DEP_2 )\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END IF\n END IF\n#endif\n\n END IF ! FIRSTIME\n\n MDATE = JDATE\n MTIME = JTIME\n\n call interpolate_var ('DENS', mdate, mtime, DENS)\n\nC...convert units on cgrid to molar mixing ratio (by volume)\nC... determine no. of moles of gas per moles of air by volume\n\n STRT = GC_STRT\n FINI = GC_STRT + N_GC_SPC - 1\n DO SPC = STRT, FINI\n DO LAY = 1, NLAYS\n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n CGRID( COL, ROW, LAY, SPC ) = MAX( CGRID( COL, ROW, LAY, SPC )\n & * 1.0E-6, 1.0E-36 )\n END DO\n END DO\n END DO\n END DO\n\nC...for aerosol mass concentration\nC... convert to moles of aerosol per mole of air by volume\n\n STRT = 1\n FINI = NQAE\n DO VAR = STRT, FINI\n SPC = QAE( VAR )\n DO LAY = 1, NLAYS\n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n FAC = CNV1 / DENS( COL, ROW, LAY ) / AE_MOLWT( SPC - AE_STRT + 1 )\n CCMIN = MAX( CGRID( COL, ROW, LAY, SPC ), 1.0E-30/FAC )\n CGRID( COL, ROW, LAY, SPC ) = FAC * CCMIN\n END DO\n END DO\n END DO\n END DO\n\nC...for aerosol number concentration\nC... convert to # per mole of air by volume\n\n STRT = 1\n FINI = NNAE\n DO VAR = STRT, FINI\n SPC = NAE( VAR )\n DO LAY = 1, NLAYS\n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n FAC = CNV3 / DENS( COL, ROW, LAY )\n CCMIN = MAX( CGRID( COL, ROW, LAY, SPC ), 1.0E-30/FAC )\n CGRID( COL, ROW, LAY, SPC ) = FAC * CCMIN\n END DO\n END DO\n END DO\n END DO\n\nC...for aerosol surface area\nC... convert to m2 per mole of air by volume\n\n STRT = 1\n FINI = NSAE\n DO VAR = STRT, FINI\n SPC = SAE( VAR )\n DO LAY = 1, NLAYS\n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n FAC = CNV2 / DENS( COL, ROW, LAY )\n CCMIN = MAX( CGRID( COL, ROW, LAY, SPC ), 1.0E-30/FAC )\n CGRID( COL, ROW, LAY, SPC ) = FAC * CCMIN\n END DO\n END DO\n END DO\n END DO\n\nC...determine no. of moles of non-reactive gas per moles of air by volume\n\n STRT = NR_STRT\n FINI = NR_STRT + N_NR_SPC - 1\n DO SPC = STRT, FINI\n DO LAY = 1, NLAYS\n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n CGRID( COL, ROW, LAY, SPC ) = MAX( CGRID( COL, ROW, LAY, SPC )\n & * 1.0E-6, 1.0E-36 )\n END DO\n END DO\n END DO\n END DO\n\nC...determine no. of moles of tracer gas per moles of air by volume\n\n STRT = TR_STRT\n FINI = TR_STRT + N_TR_SPC - 1\n DO SPC = STRT, FINI\n DO LAY = 1, NLAYS\n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n CGRID( COL, ROW, LAY, SPC ) = MAX( CGRID( COL, ROW, LAY, SPC )\n & * 1.0E-6, 1.0E-36 )\n END DO\n END DO\n END DO\n END DO\n\nC...compute cloud effects for the resolved clouds and resolved rainwater\n\n CALL RESCLD ( CGRID, JDATE, JTIME, TSTEP,\n & N_SPC_WDEP, WDEP_MAP, TOT_DEP, RESTRANS )\n\nC...compute cloud effects for convective (subgrid) clouds\n\n CALL CONVCLD_ACM ( CGRID, JDATE, JTIME, TSTEP,\n & N_SPC_WDEP, WDEP_MAP, CONV_DEP, SUBTRANS )\n\nC...share wet deposition with bidirectional surface exchange algorithms\n\n IF ( HGBIDI ) THEN\n DO VAR = 1, N_GC_WDEP\n IF ( GC_WDEP( VAR ) .EQ. 'HG' ) THEN\n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n ACCM_WDEP = TOT_DEP( COL, ROW, VAR ) \n & + CONV_DEP( COL, ROW, VAR )\n CALL GET_WDEP ( 'HG ', ACCM_WDEP, COL, ROW )\n END DO\n END DO\n END IF\n IF ( GC_WDEP( VAR ) .EQ. 'HGIIGAS' ) THEN\n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n ACCM_WDEP = TOT_DEP( COL, ROW, VAR ) \n & + CONV_DEP( COL, ROW, VAR )\n CALL GET_WDEP ( 'HGIIGAS ', ACCM_WDEP, COL, ROW )\n END DO\n END DO\n END IF\n END DO\n END IF\n\nC...now check to see if it's time to write the deposition file\n\n WSTEP = WSTEP + TIME2SEC( TSTEP( 2 ) )\n IF ( WSTEP .GE. TIME2SEC( TSTEP( 1 ) ) ) THEN\n NDATE = JDATE\n NTIME = JTIME\n CALL NEXTIME( NDATE, NTIME, TSTEP( 2 ) )\n WSTEP = 0\n\n DO VAR = 1, N_SPC_WDEP + 1\n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n TOT_DEP( COL, ROW, VAR ) = TOT_DEP ( COL, ROW, VAR )\n & + CONV_DEP( COL, ROW, VAR )\n END DO\n END DO\n END DO\n\n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n VAR = N_SPC_WDEP + 8 + 1\n CONV_DEP( COL, ROW, VAR ) = SUBTRANS( COL, ROW, 1 )\n VAR = VAR + 1\n CONV_DEP( COL, ROW, VAR ) = SUBTRANS( COL, ROW, 2 )\n VAR = VAR + 1\n CONV_DEP( COL, ROW, VAR ) = RESTRANS( COL, ROW )\n VAR = VAR + 1\n CONV_DEP( COL, ROW, VAR ) = SUBTRANS( COL, ROW, 1 )\n & * SUBTRANS( COL, ROW, 2 )\n & * RESTRANS( COL, ROW )\n END DO\n END DO\n\n RESTRANS = 1.0\n SUBTRANS = 1.0\n\nC...write data to the normal wet deposition file\n\n IF ( .NOT. WRITE3( CTM_WET_DEP_1, ALLVAR3, NDATE,\n & NTIME, TOT_DEP ) ) THEN\n XMSG = 'Could not write ' // CTM_WET_DEP_1 // ' file'\n CALL M3EXIT ( PNAME, NDATE, NTIME, XMSG, XSTAT1 )\n END IF\n\n WRITE( LOGDEV, '( /5X, 3( A, :, 1X ), I8, \":\", I6.6 )' )\n & 'Timestep written to', CTM_WET_DEP_1,\n & 'for date and time', NDATE, NTIME\n\nC...write data to the diagnostic file if requested by the user\n\n IF ( CLD_DIAG ) THEN\n\n IF ( .NOT. WRITE3( CTM_WET_DEP_2, ALLVAR3, NDATE,\n & NTIME, CONV_DEP ) ) THEN\n XMSG = 'Could not write ' // CTM_WET_DEP_2 // ' file'\n CALL M3EXIT ( PNAME, NDATE, NTIME, XMSG, XSTAT1 )\n END IF\n\n WRITE( LOGDEV, '( /5X, 3( A, :, 1X ), I8, \":\", I6.6 )' )\n & 'Timestep written to', CTM_WET_DEP_2,\n & 'for date and time', NDATE, NTIME\n\n END IF ! CLD_DIAG\n\nC...reinitialize deposition array\n\n TOT_DEP = 0.0\n CONV_DEP = 0.0\n\n END IF ! time to write\n\nC...convert units on cgrid back to original units\nC... convert to ppmV gas\n\n STRT = GC_STRT\n FINI = GC_STRT + N_GC_SPC - 1\n DO SPC = STRT, FINI\n DO LAY = 1, NLAYS\n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n CGRID( COL, ROW, LAY, SPC ) = CGRID( COL, ROW, LAY, SPC )\n & * 1.0E+6\n END DO\n END DO\n END DO\n END DO\n\nC...convert to ug/m3 of aerosol mass\n\n STRT = 1\n FINI = NQAE\n DO VAR = STRT, FINI\n SPC = QAE( VAR )\n DO LAY = 1, NLAYS\n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n FAC = CNV1I * DENS( COL, ROW, LAY )\n CGRID( COL, ROW, LAY, SPC ) = FAC * CGRID( COL, ROW, LAY, SPC )\n & * AE_MOLWT( SPC - AE_STRT + 1 )\n END DO\n END DO\n END DO\n END DO\n\nC...convert to #/m3 of aerosol number\n\n STRT = 1\n FINI = NNAE\n DO VAR = STRT, FINI\n SPC = NAE( VAR )\n DO LAY = 1, NLAYS\n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n FAC = CNV3I * DENS( COL, ROW, LAY )\n CGRID( COL, ROW, LAY, SPC ) = FAC * CGRID( COL, ROW, LAY, SPC )\n END DO\n END DO\n END DO\n END DO\n\nC...convert to m2/m3 of aerosol surface area\n\n STRT = 1\n FINI = NSAE\n DO VAR = STRT, FINI\n SPC = SAE( VAR )\n DO LAY = 1, NLAYS\n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n FAC = CNV2I * DENS( COL, ROW, LAY )\n CGRID( COL, ROW, LAY, SPC ) = FAC * CGRID( COL, ROW, LAY, SPC )\n END DO\n END DO\n END DO\n END DO\n\nC...convert to ppmV non-reactive gas\n\n STRT = NR_STRT\n FINI = NR_STRT + N_NR_SPC - 1\n DO SPC = STRT, FINI\n DO LAY = 1, NLAYS\n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n CGRID( COL, ROW, LAY, SPC ) = CGRID( COL, ROW, LAY, SPC )\n & * 1.0E+6\n END DO\n END DO\n END DO\n END DO\n\nC...convert to ppmV tracer gas\n\n STRT = TR_STRT\n FINI = TR_STRT + N_TR_SPC - 1\n DO SPC = STRT, FINI\n DO LAY = 1, NLAYS\n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n CGRID( COL, ROW, LAY, SPC ) = CGRID( COL, ROW, LAY, SPC )\n & * 1.0E+6\n END DO\n END DO\n END DO\n END DO\n\n RETURN\n\n END\n" }, { "path": "CCTM/src/cloud/acm_ae6_mp/convcld_acm.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n!:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE CONVCLD_ACM ( CGRID, JDATE, JTIME, TSTEP,\n & N_SPC_WDEP, WDEP_MAP, CONV_DEP, SUBTRANS )\n\nC-----------------------------------------------------------------------\nC\nC FUNCTION: Convective cloud processor Models-3 science process:\nC MAIN ROUTINE calculates cloud characteristics, and uses them\nC to generate cumulative and net timestep deposition, cloud top,\nC cloud bottom, and pressure at the lifting level.\nC\nC ICLDTYPE = 1 => computes raining cloud physics, mixing, chemistry,\nC wet dep\nC ICLDTYPE = 2 => does the same for non-precip clouds utilizing saved\nC info from RNCLD in the case of co-existing clouds\nC\nC PRECONDITIONS REQUIRED:\nC Dates and times represented YYYYDDD:HHMMSS.\nC\nC IDEA: Aqueous chemistry operates on the half-hour for an internal\nC time step of one hour.\nC\nC REVISION HISTORY:\nC Adapted 3/93 by CJC from science module template\nC Version 3/3/93 with complete LCM aqueous chem by JNY.\nC Modified 6/3-7/93 by CJC & JNY to correct treatment of half layers\nC vs. full layers in loop 255: calculation of DTDP centered at\nC quarter-layers using PSTAR; corresponding revisions to TLCL, TSAT.\nC Uses 4th order R-K solver there.\nC Version 6/5/93 by CJC using relative rainout rates.\nC Version 7/6/93 by CJC using INTERP3()\nC Adapted from LCM aqueous chemistry, initial version, 9/93\nC by JNY and CJC\nC Completion of EM cloud mixing, JNY 12/93\nC Inclusion of EM aqueous chemistry JNY 12/93\nC UPGRADE TO FULL RADM CLOUD MODULE EMULATION, JNY 4/94\nC 8/16/94 by Dongming Hwang Configuration management template\nC Adapted 10/96 by S.Roselle for Models-3\nC 1/97 s.roselle added McHenry`s well mixed assumption code\nC 8/97 S.Roselle revised cgrid units, pressure units, rainfall\nC to hourly amounts, built indices for wet dep species,\nC scavenged species, and aqueous species, built wrapper\nC around aqueous chemistry module\nC 10/97 S.Roselle removed McHenry`s well mixed assumption code\nC and put back the below cloud concentration scaling\nC 11/97 S.Roselle moved the wet deposition output to the calling\nC routine--CLDPROC\nC 01/98 S.Roselle moved indexing code to AQINTER, also\nC moved scavenging to SCAVWDEP\nC 03/98 S.Roselle read sub-hourly rainfall data\nC 12/98 David Wong at LM:\nC -- changed division of 8000, 2, 1000 to its corresponding\nC reciprocal\nC -- added INT in the expression STEP * 0.5 when calling SEC2TIME\nC 03/99 David Wong at LM:\nC -- replaced \"/ FRAC * .001\" by \"/ ( FRAC * 1000.0 )\" to minimize\nC lost of significant digits in calculation\nC Jeff - Dec 00 - move CGRID_MAP into f90 module\nC Jeff - Sep 01 - Dyn Alloc - Use HGRD_DEFN\nC 4/02 S.Roselle changed minimum horizontal resolution for subgrid\nC clouds from 12km to 8km.\nC 1/05 J.Young: dyn alloc - establish both horizontal & vertical\nC domain specifications in one module\nC 5/05 J.Pleim Replaced cloud mixing algorithm with ACM\nC 6/05 S.Roselle added new cloud diagnostic variables\nC 7/05 J.Young: clean up and mod for CMAQ-F\nC 8/10 J.Young: replace chem mechanism include files with namelists\nC and accomodate Shawn Roselle`s, Sergey Napelenok`s\nC and Steve Howard`s aerosol reengineering\nC 3/11 S.Roselle: replaced I/O API include files with UTILIO_DEFN\nC 5/11/11 D.Wong: incorporated twoway model implementation\nC 7/11 G. Sarwar: calculate zenith angle to determine daytime and nightime \nC needed for sulfur oxidation via metal catalysis\nC 9/11 S.Roselle: enable CMAQ subgrid cloud model only when met. driver\nC uses a convective cloud parameterization (removed minimum\nC horizontal grid resolution restriction)\nC 02Aug12 S.Roselle: instrumented to calculate and return\nC transmissivity for convective clouds\nC 04Apr14 B.Hutzell: Added routine call to capture cloud fractions,\nC water, and ice mixing ratios\nC 11Feb15 J.Young: Updated call to czangle.F which uses the ASX_DATA_MOD shared\nC data module (Implemented by J.Bash on 07 Nov 14)\nC 09/04/15 D.Wong: - Made variable declaration method consistent in the caller\nC and calling routines\nC - Used a variable rather than an array in calculation to\nC reduce memory footprint and to increase code efficiency\nC 28May15 J.Young: cleanup\nC 12Jun15 B.Hutzell: Moved call to CLEAR_ACM_CLOUD to after FIRSTIME block to\nC insure results from previous time step are removed\nC 12Jan16 D.Wong: Fixed a bug that causes different result when code run with \nC different domain decomposition\nC 4Apr16 J.Bash Calculate the Sundqvist et al. 1989 threshold humidities \nC for cloud formation based on Mocko and Cotton (1995) to be\nC More consistent with WRF\nC 7May 18 D. Schwede: Removed call to CZANGLE. COSZEN now calculated in ASX_DATA_MOD\nC Aug 2018 J. Pleim: convert to Z coords\nC Oct 2018 D. Wong: Declared array, F as allocatable and added subroutine ACMCLD \nC in the interface block\nC Feb 2019 D. Wong: Implemented centralized I/O approach, removed all MY_N\nC clauses\nC 01 AUG 19 D.Wong: Modified code to work with two-way model and\nC introduced convective scheme logical\nC 11 Nov 19 F. Sidi: Changed MSTEP to accomdate Centralized I/O changes\nC-----------------------------------------------------------------------\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE CGRID_SPCS ! CGRID mechanism species\n USE UTILIO_DEFN\n USE AQ_DATA\n USE HG_AQCHEM_DATA ! mercury chemistry parameters and constants\n USE ASX_DATA_MOD, ONLY: GRID_DATA, MET_DATA\n USE PHOT_MOD, ONLY: RJ, RJ_RES, RJ_SUB, LH2O2_PHOTOLYSIS => LH2O2,\n & LHNO3_PHOTOLYSIS => LHNO3\n USE CENTRALIZED_IO_MODULE\n USE RUNTIME_VARS, ONLY: CONVECTIVE_SCHEME\n IMPLICIT NONE\n\nC...........INCLUDES\n\n INCLUDE SUBST_CONST ! constants\n INCLUDE SUBST_FILES_ID ! file name parameters\n\nC...........Arguments\n\n REAL, POINTER :: CGRID( :,:,:,: )\n INTEGER, INTENT( IN ) :: JDATE\n INTEGER, INTENT( IN ) :: JTIME\n INTEGER, INTENT( IN ) :: TSTEP( 3 )\n INTEGER, INTENT( IN ) :: N_SPC_WDEP\n INTEGER, INTENT( IN ) :: WDEP_MAP( : )\n REAL, INTENT( INOUT ) :: CONV_DEP( :,:,: )\n REAL, INTENT( OUT ) :: SUBTRANS( :,:,: )\n\n\nC...........Parameters\n\nC critical rel humidity for land (fraction)\n REAL, SAVE :: RCRITL\n\nC critical rel humidity for water (fraction)\n REAL, SAVE :: RCRITW\n\nC intermediate factor\n REAL :: XKM\n\nC factor convert 1/min to 1/sec\n REAL, PARAMETER :: MINPERSEC = 1.0 / 60.0 \n\nC param contlng sidewall entrainment function for raining clouds\n REAL, PARAMETER :: SIDEFAC = 0.5\n\nC storm rainout efficiency\n REAL, PARAMETER :: STORME = 0.3\n\nC emp sat vapor press constant from RADM\n REAL, PARAMETER :: C303 = 19.83\n\nC emp sat vapor press constant from RADM\n REAL, PARAMETER :: C302 = 5417.4\n\nC g/kg\n REAL, PARAMETER :: GPKG = 1.0E+03\n\nC 1 hectare = 1.0e4 m**2\n REAL, PARAMETER :: M2PHA = 1.0E+04\n\nC subgrid scale temp perturb (deg K)\n REAL, PARAMETER :: PERT = 1.5\n\nC wvp mix ratio perturb (dimensionless)\n REAL, PARAMETER :: PERQ = 1.5E-3\n\nC rainfall threshold (mm/hr)\n REAL, PARAMETER :: RTHRESH = 0.1\n\nC vapor press of water at 0 C (Pa)\n REAL, PARAMETER :: VP0PA = 611.2\n\nC 1.0 / (vapor press of water @ 0 C) (1/Pa)\n REAL, PARAMETER :: VPINV = 1.0 / VP0PA\n\nC converg. crit. for entrainment solver\n REAL, PARAMETER :: TST = 0.01\n\nC assumed cloud lifetime for convective clouds (sec)\n REAL, PARAMETER :: TCLIFE = 3600.0\n\nC ratio of mol wt of water vapor to mol wt of air\n REAL, PARAMETER :: MVOMA = MWWAT / MWAIR\n\nC ratio of dry gas const to specific heat\n REAL, PARAMETER :: ROVCP = RDGAS / CPD\n\nC ratio of latent heat of vap to specific heat\n REAL, PARAMETER :: LVOCP = LV0 / CPD\n\nC dry adiabatic lapse rate (deg K/m)\n REAL, PARAMETER :: DALR = GRAV / CPD\n\nC Number of species in CGRID\n INTEGER, SAVE :: MXSPCS\n\nC parameter to control frequency of convective cloud processing\nC SYNCCLD=.TRUE. : every synchronization timestep\nC SYNCCLD=.FALSE. : every hour on the half hour\n LOGICAL, PARAMETER :: SYNCCLD = .TRUE. ! default to sync timestep\n\n INTEGER ICLDTYPE ! 1: raining, 2: either CNP or PFW\n\nC...........Local Variables\n\nC-------for ACM version - jp 2/05 REAL DPB\n REAL, ALLOCATABLE, SAVE :: DZH( : )\n REAL, ALLOCATABLE, SAVE :: CCR ( :,: )\n REAL, ALLOCATABLE, SAVE :: CONC( :,: )\n REAL, ALLOCATABLE, SAVE :: CBELOW( : )\nC-------------------------------------------\n\n LOGICAL, SAVE :: FIRSTIME = .TRUE. ! flag for first pass thru\n! LOGICAL, SAVE :: CONVCLD = .TRUE. ! flag for modeling convective clds\n\n CHARACTER( 16 ) :: PNAME = 'CONVCLD_ACM' ! process name\n CHARACTER( 16 ) :: VARNM ! variable name for IOAPI to get\n\n CHARACTER( 16 ), SAVE :: RC_NAME ! RC name: old is RC and new is RCA\n\n INTEGER ATIME ! time diff from half-hour\n INTEGER CLTOP ! model LAY containing cloud top\n INTEGER COL ! column loop counter\n INTEGER ROW ! row loop counter\n INTEGER CTOP ! dummy variable for cloud top layer\n INTEGER FINI ! ending position\n INTEGER I599C ! entrainment solver iteration counter\n INTEGER LAY ! layer loop counter\n INTEGER MDATE ! process date\n INTEGER MTIME ! process time (half-hour)\n INTEGER, SAVE :: MSTEP ! met file time step (hhmmss)\n INTEGER, SAVE :: SDATE ! met file start date\n INTEGER SPC ! liquid species loop counter\n INTEGER STEP ! step loop counter\n INTEGER STRT ! starting position\n INTEGER, SAVE :: STIME ! met file start time\n INTEGER VAR ! variable loop counter\n\n INTEGER CLBASE ! cld base layer\n INTEGER CLTOPUSTBL ! unstable cld top layer\n INTEGER ISOUND ! flag for sounding stability\n INTEGER SRCLAY ! cloud source level vert index\n\n REAL AIRM ! total air mass (mol/m2) in cloudy air\n REAL AIRMB0 ! mol/m2 air below cloud\n REAL AIRMBI ! inverse mol/m2 air below cloud\n REAL ALFA0 ! aitken mode number scavenging coef\n REAL ALFA2 ! aitken mode sfc area scavenging coef\n REAL ALFA3 ! aitken mode mass scavenging coef\n REAL ARPRES ! ave cloud pres in atm\n REAL CONDIS !\n REAL CTHK ! cloud thickness (m)\n REAL CTHK1 ! aq chem calc cloud thickness\n REAL DAMDP ! dry adiabatic minus dew point lapse rate\n REAL DP ! pressure increment along moist adiabat\n REAL DPLR ! dew point lapse rate\n REAL DQI ! change in ice mix ratio due to melting caused by entrainment\n REAL DQL ! change in liq wat mix ratio due to evap caused by entrainment\n REAL DTCLD ! cloud integration timestep (s)\n REAL DTDP ! moist adiabatic lapse rate\n REAL DZLCL ! height increment to LCL above source level\n REAL ZLCL ! height of LCL above ground\n REAL EMAX ! water vapor pressure at source level\n REAL EQTH ! parcel equivalent potential temperature\n REAL EQTHM ! parcel equivalent potential temp\n REAL FA ! entrainment functional value at TEMPA\n REAL FB ! entrainment functional value at TEMPB\n REAL FRAC ! cloud fractional coverage\n REAL FTST ! functional product in Walcek bisection solver\n REAL HTST ! temp diff in Walcek bisection solver\n REAL JH2O2_BAR ! mean H2O2 photolysis rate in subgrid cloud, 1/min\n REAL JHNO3_BAR ! mean HNO3 photolysis rate in subgrid cloud, 1/min\n REAL, SAVE :: METSTEP ! timestep on the met file\n REAL P1 ! intermediate pressure used in calculating WL\n REAL P2 ! intermediate pressure used in calculating WL\n REAL P3 ! intermediate pressure used in calculating WL\n REAL PBAR ! mean pressure in vertical increments up from LCL along moist adiabat\n REAL PBARC ! mean cloud pressure (Pa)\n REAL PMAX ! parcel pressure\n REAL PP ! scratch pressure variable\n REAL PRATE ! total rainfall (mm/hr)\n REAL PRATE1 ! storm rainfall rate (mm/hr)\n REAL QENT ! wat vap mix ratio due to cld sidewall entrainmt\n REAL QP ! perturbed water vap mix ratio of parcel\n REAL QXS ! int. excess wat ov grid cell needed for rainout\n REAL REMOVAC ! variable storing H+ deposition\n REAL RHOAIR ! air density in kg/m3\n REAL RLH ! relative humidity\n REAL RLHSRC ! relative humidity at cld src level\n REAL RTCH ! chemical gas const times temp\n REAL T1 ! perturbed temp to calc neutral buoyancy also used as max temp in cell comparing cloud with environment\n REAL TBAR ! mean temp in vertical increments up from LCL along moist adiabat\n REAL TBARC ! mean cloud temp (K)\n REAL TBASE ! iterative temp along moist adiabat\n REAL TDMAX ! dew point at source level\n REAL TEMPA ! lower limit on temp for entrainment solver\n REAL TEMPB ! upper limit on temp for entrainment solver\n REAL TEMPC ! scratch temp solved for cloudy air parcel\n REAL TENT ! temp accounting for cld sidewall entrainment\n REAL THMAX ! parcel potential temperature\n REAL TI ! init temp of cloud air before evap of water\n REAL TLCL ! temp at LCL\n REAL TMAX ! perturbed temp of parcel\n REAL TP ! perturbed temp of parcel\n REAL TTOP ! scr vbl used in application of Eq. 7, W&T\n REAL TWC ! tot wat cont in cloud (kg H2O/m3 air)\n REAL WCBAR ! liq water content of cloud (kg/m3)\n REAL WL ! Warner profile (an earlier version appears appears in Walcek and Taylor (JAS, 1986)\n REAL WTBAR ! total wat cont (kg/m2) int. thru cloud depth\n REAL X1 ! intermediate vbles in lapse rate calculation X1 also reused as scratch vble in mixing\n REAL QDIF ! scratch vbl used in entrainment solver\n REAL CLOD\n REAL LWP\n REAL STRNS ! intermediate to set subgrid cld transmissivity\n REAL, ALLOCATABLE, SAVE :: AECONCMIN( : ) ! array of minimum concentrations\n REAL, ALLOCATABLE, SAVE :: BMOL ( : ) ! mol/m2 species below cloud\n REAL, ALLOCATABLE, SAVE :: CBASE0 ( : ) ! initial ave trace gas mix rat below cld\n REAL, ALLOCATABLE, SAVE :: CBASEF ( : ) ! final ave trac gas mix rat blw cld (mol/mol)\n REAL, ALLOCATABLE, SAVE :: CEND ( : ) ! ending equiv gas phase conc (mol/mol)\n REAL, ALLOCATABLE, SAVE :: POLC ( : ) ! ave vert conc incloud mol sp/m2 and mol sp/ mol air\n REAL, ALLOCATABLE, SAVE :: REMOV ( : ) ! mol/m2 or mm*mol/lit scavenged\n REAL :: DENSL( NLAYS ) ! air density (kg/m3)\n REAL, ALLOCATABLE, SAVE :: F ( : ) ! cloud entrainment fraction to be solved for\n REAL :: FSIDE( NLAYS ) ! sidewall entrainment vertical profile\n REAL :: LWC ( NLAYS ) ! liq wat cont of cloud in kg H2O/m3 air\n REAL, ALLOCATABLE, SAVE :: QICE ( : ) ! ice mixing ratio in cloud\n REAL, ALLOCATABLE, SAVE :: QLQD ( : ) ! actual liq. wat. mix ratio in cloud\n REAL :: QVC ( NLAYS ) ! saturation wat vap mix ratio at T1\n REAL :: QWAT ( NLAYS ) ! liq wat mix rat, taken as total condensed water (ice + liq) profile (Eq.4, W&T)\n REAL :: RHOM2( NLAYS ) ! mol/m2 air\n REAL :: TCLD ( NLAYS ) ! temp of cloudy air parcel\n\n REAL FRACMAX ! max frac cov for NP cld\n REAL PLCL ! pressure at LCL\n REAL QMAX ! pertbd w.. mix rat of parcel\n REAL :: RAIN( NCOLS,NROWS ) ! this timestep rainfall (mm/hr)\n REAL BCLDWT ! below cloud weighting function\n REAL, ALLOCATABLE, SAVE :: CONCMINL( :,: ) ! minimum concentrations for each species and layer\n REAL INCLOUD ! final conc in cloud after mix and chem [mol/mol]\n REAL OUTCLOUD ! final conc outside \" \" \" \" \"\n REAL, ALLOCATABLE, SAVE :: PCLD ( :,: ) ! mol sp/mol air in cloud\n\n REAL :: RC ( NCOLS,NROWS ) ! hourly convective rainfall (cm)\n REAL :: PBL ( NCOLS,NROWS ) ! PBL height (m)\n REAL :: DZZ ( NCOLS,NROWS,NLAYS ) ! computed gridded vble\n REAL :: DZZL ( NLAYS ) ! grid cell delta Z\n REAL :: PRES ( NCOLS,NROWS,NLAYS ) ! file gridded vble\n REAL :: PRESL( NLAYS ) ! grid cell pressure\n REAL :: JH2O2( NLAYS ) ! H2O2 photolysis rate (1/min) \n REAL :: JHNO3( NLAYS ) ! HNO3 photolysis rate (1/min) \n REAL :: QAD ( NLAYS ) ! moist adiab. sat. mix ratio\n REAL :: QV ( NCOLS,NROWS,NLAYS ) ! input gridded vble\n REAL :: QVL ( NLAYS ) ! grid cell sp. hum.\n REAL :: TA ( NCOLS,NROWS,NLAYS ) ! input gridded vble\n REAL :: TAL ( NLAYS ) ! grid cell temp\n REAL :: TSAT ( NLAYS ) ! parcel temp along moist adiabat @ half levels\n REAL :: ZH ( NCOLS,NROWS,NLAYS ) ! mid-layer height (m)\n REAL :: ZF ( NCOLS,NROWS,NLAYS ) ! level/layer-face height (m)\n\n INTEGER ALLOCSTAT\n\nC Gridded meteorology data: Golam Sarwar, July 1, 2011 \nC Latitude and longitude for zenith angle calculation: \n REAL COSZ ! local cosine of zenith angle\n LOGICAL DARK ! DARK = TRUE is night, DARK = FALSE is day\n\n CHARACTER( 120 ) :: XMSG = ' ' ! Exit status message\n\n\nC...........Statement Functions\n\n REAL ESAT ! sat vap pres (Pa) as fn of T (deg K)\n REAL QSAT ! sat water vapor mixing ratio\n\n REAL T ! temperature dummy arg\n REAL E ! sat vapor pressure dummy arg\n REAL P ! pressure dummy arg\n\n INTERFACE\n SUBROUTINE ACMCLD ( NSP, NLAYS, F, C, DZH, CBELOW, CLBASE, CLTOP,\n & FRAC, TCLIFE, DTCLD )\n INTEGER, INTENT( IN ) :: NSP\n INTEGER, INTENT( IN ) :: NLAYS\n REAL, INTENT( IN ) :: F( : )\n REAL, INTENT( INOUT ) :: C( :, : )\n REAL, INTENT( IN ) :: DZH( : )\n REAL, INTENT( INOUT ) :: CBELOW( : )\n INTEGER, INTENT( IN ) :: CLBASE\n INTEGER, INTENT( IN ) :: CLTOP\n REAL, INTENT( IN ) :: FRAC\n REAL, INTENT( IN ) :: TCLIFE\n REAL, INTENT( IN ) :: DTCLD\n END SUBROUTINE ACMCLD\n\n SUBROUTINE SCAVWDEP ( JDATE, JTIME, WTBAR, WCBAR, TBARC, PBARC,\n & CTHK1, AIRM, PRATE1, TAUCLD, POLC, CEND,\n & REMOV, REMOVAC, ALFA0, ALFA2, ALFA3 )\n INTEGER, INTENT( IN ) :: JDATE, JTIME\n REAL, INTENT( IN ) :: WTBAR, WCBAR, TBARC, PBARC,\n & CTHK1, AIRM, PRATE1, TAUCLD\n REAL, INTENT( IN ) :: POLC ( : )\n REAL, INTENT( OUT ) :: CEND( : ), REMOV( : )\n REAL, INTENT( OUT ) :: REMOVAC\n REAL, INTENT( OUT ) :: ALFA0, ALFA2, ALFA3\n END SUBROUTINE SCAVWDEP\n\n SUBROUTINE AQ_MAP( JDATE, JTIME, WTBAR, WCBAR, TBARC, PBARC,\n & CTHK1, AIRM, PRATE1, TAUCLD, POLC, CEND,\n & REMOV, REMOVAC, ALFA0, ALFA2, ALFA3, DARK )\n INTEGER, INTENT( IN ) :: JDATE, JTIME\n REAL, INTENT( IN ) :: WTBAR, WCBAR, TBARC, PBARC,\n & CTHK1, AIRM, PRATE1, TAUCLD\n REAL, INTENT( IN ) :: POLC ( : )\n REAL, INTENT( INOUT ) :: CEND( : ), REMOV( : )\n REAL, INTENT( INOUT ) :: REMOVAC\n REAL, INTENT( IN ) :: ALFA0, ALFA2, ALFA3\n LOGICAL, INTENT( IN ) :: DARK \n END SUBROUTINE AQ_MAP\n END INTERFACE\n\n ESAT( T ) = VP0PA * EXP( C303 - ( C302 / T ) )\n\n QSAT( E, P ) = MVOMA * ( E / ( P - E ) )\n\nC-----------------------------------------------------------------------\nC begin body of subroutine CONVCLD_ACM\n\nC...INITIALIZATION for the CONVCLD_ACM module:\nC... event-statistics variables.\n\n IF ( FIRSTIME ) THEN\n\n FIRSTIME = .FALSE.\n\n IF ( N_AE_SPC .GT. 0 ) THEN\n ALLOCATE ( AECONCMIN( N_AE_SPC ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating AECONCMIN'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n CALL SET_AECONCMIN ( AECONCMIN )\n\n END IF\n\nC cccccccccccccccccccc enable backward compatiblity ccccccccccccccccccccc\n\n IF (RCA_AVAIL) THEN\n RC_NAME = 'RCA'\n ELSE\n RC_NAME = 'RC'\n END IF\n\nC...store met file time, date, and step information and compute\nC... the met timestep in hours\n\n SDATE = cio_model_sdate\n STIME = cio_model_stime\n MSTEP = file_tstep(f_met)\n\n METSTEP = FLOAT( TIME2SEC( MSTEP ) ) / 3600.0\n\nC...check convective precipitation on met files to determine if WRF used\nC... a convective parameterization\nC...in coordination with MCIPv4.0, negative values will be loaded into the RC\nC... field if a convective parameterization was not used in the WRF simulation\n\n call interpolate_var (RC_NAME, sdate, stime, RC)\n\n IF ( .NOT. CONVECTIVE_SCHEME ) RETURN\n\nC...allocate saved arrays\n\n ALLOCATE ( F( NLAYS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating F'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n ALLOCATE ( DZH( NLAYS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating DZH'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n MXSPCS = NSPCSD\n\n ALLOCATE ( CCR ( MXSPCS,NLAYS ),\n & CONC ( MXSPCS,NLAYS ),\n & CBELOW( MXSPCS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating CCR, CONC or CBELOW'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n ALLOCATE ( BMOL ( MXSPCS ),\n & CBASE0 ( MXSPCS ),\n & CBASEF ( MXSPCS ),\n & CEND ( MXSPCS ),\n & POLC ( MXSPCS ),\n & REMOV ( MXSPCS ), \n & QLQD ( NLAYS ), \n & QICE ( NLAYS ), \n & STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating BMOL, CBASE0, CBASEF, CEND, POLC, REMOV,'\n & // ' QLQD or QICE'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n ALLOCATE ( CONCMINL( MXSPCS,NLAYS ),\n & PCLD ( MXSPCS,NLAYS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating CONCMINL or PCLD'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\nC...Calculate the Sundqvist et al. 1989 threshold humidities for cloud formation based on \nC...Mocko and Cotton (1995)\n XKM = REAL( XCELL_GD / 1000 )\n RCRITW = 0.879 + SQRT( 1.0 / ( 100.0 + XKM * XKM ) )\n RCRITL = 0.839 + SQRT( 1.0 / ( 50.0 + 0.5 * XKM ** 3 ) )\n\n END IF ! Firstime\n\n IF ( .NOT. CONVECTIVE_SCHEME) RETURN\n\nC...check option for processing clouds on the synchronization timestep\n\n IF ( SYNCCLD ) THEN\n\n MDATE = JDATE\n MTIME = JTIME\n\nC...set the cloud timestep (=adv timestep)\n\n STEP = TIME2SEC( TSTEP( 2 ) ) ! synchronization timestep\n DTCLD = REAL( STEP )\n\nC...set time to the midpoint of this timestep for data interpolation\n\n CALL NEXTIME ( MDATE, MTIME, SEC2TIME( STEP / 2 ) )\n\nC...otherwise, revert back to processing convective cloud once per hour\nC... on the half hour\n\n ELSE\n\nC...Check to see if this time step contains the half-hour\nC... if it does not, then return\n\n MDATE = JDATE\n MTIME = 10000 * ( JTIME / 10000 ) ! on the current hour\n STEP = TIME2SEC( TSTEP( 2 ) ) ! synchronization timestep\n DTCLD = TCLIFE\n\nC... set mdate:mtime to one-half step before the half-hour\n\n CALL NEXTIME ( MDATE, MTIME, SEC2TIME( 1800 - ( STEP / 2 ) ) )\n\n ATIME = SECSDIFF( MDATE, MTIME, JDATE, JTIME )\n\n IF ( ( ATIME .LT. 0 ) .OR. ( ATIME .GE. STEP ) ) RETURN\n\nC...the current timestep overlaps the half hour point\nC... set the time to the half hour for data interpolation\n\n MTIME = 10000 * ( JTIME / 10000 ) + 3000\n \n END IF\n\nC...clear arrays that capture ACM cloud results\n\nC...ACTUAL SCIENCE PROCESS (loop on internal process time steps):\nC... Interpolate time dependent layered input variables\nC... (reading those variables for which it is necessary)\n\nC... Get ambient temperature (K)\n call interpolate_var ('TA', mdate, mtime, TA)\n\nC...Get specific humidity (kg H2O / kg air)\n call interpolate_var ('QV', mdate, mtime, QV)\n\nC...Get level heights / layer faces (m)\n call interpolate_var ('ZF', mdate, mtime, ZF)\n\nC...Get mid-layer heights (m)\n call interpolate_var ('ZH', mdate, mtime, ZH)\n\nC...Get pressure (Pa)\n call interpolate_var ('PRES', mdate, mtime, PRES)\n\nC...compute layer thicknesses (m)\n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n DZZ( COL,ROW, 1 ) = ZF( COL,ROW, 1 )\n DO LAY = 2, NLAYS\n DZZ( COL,ROW,LAY ) = ZF( COL,ROW,LAY ) - ZF( COL,ROW,LAY - 1 )\n END DO\n END DO\n END DO\n\nC...Get PBL height (m)\n call interpolate_var ('PBL', mdate, mtime, PBL)\n \nC...advance the MDATE and MTIME to the next time on the met file\nC... to get ready to read the precipitation amounts.\nC... Precipitation data WILL NOT BE INTERPOLATED! Precipitation data\nC... on the input file are amounts within the metfiles timestep.\n\n IF ( .NOT. CURRSTEP( JDATE, JTIME, SDATE, STIME, MSTEP,\n & MDATE, MTIME ) ) THEN\n XMSG = 'Cannot get step-starting date and time'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT3 )\n END IF\n\n CALL NEXTIME ( MDATE, MTIME, MSTEP ) ! set mdate:mtime to the hour\n\nC...Get convective precipitation amount (cm)\n\n call interpolate_var (RC_NAME, mdate, mtime, RC)\n\nC...Convert the rainfall rate into mm/hr, then set a flag noting the\nC... presence of raining clouds if the rainfall is above the specified\nC... threshold\n\n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n RAIN( COL,ROW ) = 10.0 * RC( COL,ROW ) / METSTEP\n END DO\n END DO\n IF ( MINVAL( RAIN ) .LT. 0.0 ) THEN\n XMSG = 'NEGATIVE RAIN...PROBABLY BAD MET DATA... in' // MET_CRO_2D\n CALL M3EXIT ( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n WHERE ( RAIN .GE. RTHRESH ) CONV_DEP( :,:,N_SPC_WDEP + 6 ) = 1.0\n\nC...Loop through all grid cells\n\n DO 311 ROW = 1, NROWS\n DO 301 COL = 1, NCOLS\n\n QLQD = 0.0\n QICE = 0.0\n\n CLBASE = NLAYS\n CLTOPUSTBL = NLAYS\n QMAX = 0.0\n PLCL = 0.0\n SRCLAY = NLAYS\n\n DO LAY = 1, NLAYS\n QAD( LAY ) = 0.0\n PRESL( LAY ) = PRES( COL,ROW,LAY )\n TAL( LAY ) = TA( COL,ROW,LAY )\n QVL( LAY ) = QV( COL,ROW,LAY )\n DZZL( LAY ) = DZZ( COL,ROW,LAY )\n DENSL( LAY ) = PRESL( LAY )\n & / ( RDGAS * TAL( LAY ) * ( 1.0 + RWVAP * QVL( LAY ) / RDGAS ) )\n JH2O2( LAY ) = RJ_SUB( COL,ROW,LAY,LH2O2_PHOTOLYSIS )\n JHNO3( LAY ) = RJ_SUB( COL,ROW,LAY,LHNO3_PHOTOLYSIS )\n END DO\n\nC...load aerosol minimum concentrations into the \"CONCMINL\" array\nC... initialize all species to CMIN\n\n! CONCMINL = CMIN\n CONCMINL = 1.0E-25\n\nC... set minimum for aerosol species\n\n SPC = 0\n STRT = AE_STRT\n FINI = AE_STRT - 1 + N_AE_SPC\n DO VAR = STRT, FINI\n SPC = SPC + 1\n DO LAY = 1, NLAYS\n CONCMINL( VAR,LAY ) = AECONCMIN( SPC ) / DENSL( LAY )\n END DO\n END DO\n\n DO LAY = 1, NLAYS\n DO SPC = 1, NSPCSD\n CONC( SPC,LAY ) = MAX( CGRID( COL,ROW,LAY,SPC ),\n & CONCMINL( SPC,LAY ) )\n END DO\n END DO\n\nC...Test for raining clouds\nC...If the rainfall amount is below the specified threshold, then set\nC... values for some of the parameters which will be used when the\nC... routine is called again for non-precipitating clouds...then\nC... skip to the next grid cell.\n\n IF ( RAIN( COL,ROW ) .GE. RTHRESH ) THEN\n ICLDTYPE = 1\n PRATE = RAIN( COL,ROW )\n FRACMAX = 0.0\n ELSE\n ICLDTYPE = 2\n FRACMAX = 0.5\n END IF\n\nC...Determine cloud source level by determining equivalent\nC... potential temperature profile given perturbed temperature\nC... and water vapor to account for local hot spots which\nC... initiate convection. Layer with maximum equivalent\nC... potential temperature is cloud source layer.\n\n SRCLAY = 1\n TMAX = TAL( 1 ) + PERT\n QMAX = QVL( 1 ) + PERQ\n PMAX = PRESL( 1 )\n THMAX = TMAX * ( 1.0E+05 / PMAX ) ** ROVCP\n EQTHM = THMAX * EXP( LVOCP * QMAX / TMAX )\n\n DO LAY = 2, NLAYS\n\n PP = PRESL( LAY )\n\n IF ( ZH( COL,ROW,LAY ) .GT. 3000.0 ) EXIT ! 650 mb\n\n TP = TAL( LAY ) + PERT\n QP = QVL( LAY ) + PERQ\n THMAX = TP * ( 1.0E+05 / PP ) ** ROVCP\n EQTH = THMAX * EXP( LVOCP * QP / TP )\n\n IF ( EQTH .GT. EQTHM ) THEN\n TMAX = TP\n SRCLAY = LAY\n QMAX = QP\n PMAX = PP\n EQTHM = EQTH\n END IF\n\n END DO\n\nC...Equivalent potential temp max is now known between LAY 1\nC... and 650 mb. We now proceed to compute lifting condensation\nC... level. First, compute vapor pressure at the source level.\nC... Find dewpoint using empirical relationship, avoiding\nC... supersaturation. Then compute dew point lapse rate -\nC... see Walcek and Taylor, 1986.\n\n EMAX = QMAX * PMAX / ( MVOMA + QMAX )\n TDMAX = C302 / ( C303 - LOG( EMAX * VPINV ) )\n TDMAX = MIN( TDMAX, TMAX )\n DPLR = ( GRAV * TDMAX * TDMAX ) / ( MVOMA * LV0 * TMAX )\n\nc...Compute difference between dry adiabatic and dew point lapse\nC... rate, height increment above source level to reach LCL,\nC... then calculate value of pressure at LCL. Save result\nC... in CONV_DEP( *,*,N_SPC_WDEP+2 ).\n\n DAMDP = DALR - DPLR\n\n IF ( DAMDP .LE. 0.0 ) THEN\n\n DZLCL = 0.0\n PLCL = PMAX\nC...walcek formula\n TLCL = TMAX\nC...walcek formula\n\n ELSE\n\n DZLCL = ( TMAX - TDMAX ) / DAMDP\nC...walcek formula\n TLCL = TMAX - DALR * DZLCL\nC...walcek formula\n TBAR = TMAX - 0.5 * DALR * DZLCL ! midpt of TMAX, TLCL\n TBAR = MAX( TBAR , 150.0 )\n PLCL = PMAX * EXP( -( GRAV / RDGAS ) * DZLCL / TBAR )\n ZLCL = DZLCL + ZH( COL,ROW, SRCLAY )\n\n END IF\n\n CONV_DEP( COL,ROW, N_SPC_WDEP + 2 ) = PLCL\n\nC...Determine cloud base at LAY in which LCL resides,\nC... but not below layer 2.\n\nC...plcl above middle of top layer\n\n IF ( PRESL( NLAYS ) .GE. PLCL ) THEN\n PLCL = PRESL( NLAYS )\n CLBASE = NLAYS\n CLTOP = CLBASE\n WRITE( LOGDEV,* ) ' WARNING: PLCL above top: Continuing'\n\nC...search loop to find CLBASE\n\n ELSE\n\n DO LAY = 2, NLAYS\n IF ( PRESL( LAY ) .LE. PLCL ) THEN\n CLBASE = LAY\n GO TO 245\n END IF\n END DO\n\n CLBASE = NLAYS ! if you get here base never found\n\n245 CONTINUE\n\n END IF ! if plcl < ptop or , or ...\n\nC...CLBASE is LAY of LCL. Now, determine cloud top by following\nC... moist adiabat up from CLBASE. Assume a stable sounding\nC... (ISOUND=0) at first. Moist adiabat solver calculates\nC... saturation temperatures TF at the full levels and TSAT( COL,ROW,LAY )\nC... at the half-levels, using a 2nd order Runge method employing\nC... temperatures and pressures at the quarter-levels.\n\n ISOUND = 0\n DO 255 LAY = CLBASE, NLAYS\n\nC...walcek formulas\n\n DP = PRESL( LAY - 1 ) - PRESL( LAY )\n PBAR = PRESL( LAY - 1 ) - DP * 0.5\n IF ( LAY .EQ. CLBASE ) THEN\n DP = PLCL - PRESL( LAY )\n PBAR = PLCL - DP * 0.5\n TBASE = TLCL\n END IF\n\n TBAR = MAX( TBASE - 0.00065 * DP, 150.0 )\n X1 = LV0 * QSAT( ESAT( TBAR ), PBAR ) / ( RDGAS * TBAR ) ! Walcek's\n DTDP = ( ( RDGAS * TBAR ) / ( PBAR * CPD ) ) ! original\n & * ( ( 1.0 + X1 ) ! formulas\n & / ( 1.0 + ( 0.622 * LVOCP / TBAR ) * X1 ) )\n TSAT( LAY ) = MAX( TBASE - DP * DTDP, 150.0 )\n QAD ( LAY ) = QSAT( ESAT( TSAT( LAY ) ), PRESL( LAY ) )\n TBASE = TSAT( LAY )\n\nC...end Walcek formulas\n\nC...QAD is the moist adiabatic saturation mixing ratio, needed\nC... for the entrainment solver\nC... Now make choice on stability of sounding, comparing parcel\nC... temperature TSAT with environmental temperature TA.\nC... ISOUND is index for sounding stability. If ISOUND=0,\nC... moist adiabat never warmer than environment (stable).\nC... ISOUND=1, moist adiabat becomes warmer than environment\nC... (unstable).\n\n IF ( ISOUND .EQ. 0 ) THEN\n IF ( TSAT( LAY ) .GT. TAL( LAY ) ) ISOUND = 1\n ELSE ! cloud top determined by neutral bouyancy\n T1 = TSAT( LAY ) ! - 0.5 * PERT\n IF ( T1 .LT. TAL( LAY ) ) THEN\n CLTOP = LAY - 1\n GO TO 256\n END IF\n END IF\n\n255 CONTINUE ! end loop following moist adiabat\n\n CLTOP = NLAYS - 1 ! if you get here: cloud stable or no top\n\n256 CONTINUE\n\nC...At this point, if ISOUND has not been set to 1, we have a\nC... \"stable\" cloud. In this case, we find cloud top by relative\nC... humidity criterion, or, not let cloud top go above 600mb.\n\n IF ( ISOUND .EQ. 0 ) THEN\n IF ( ICLDTYPE .NE. 1 ) GO TO 299\n\n DO 265 LAY = CLBASE + 1, NLAYS\n IF ( PRESL( LAY ) .LE. 60000.0 ) THEN\n CLTOP = LAY - 1\n GO TO 267 ! loop exit\n END IF\n RLH = QVL( LAY ) / QSAT( ESAT( TAL( LAY ) ), PRESL( LAY ) )\n IF ( RLH .LT. 0.65 ) THEN\n CLTOP = LAY - 1\n GO TO 267 ! loop exit\n END IF\n265 CONTINUE\n\n CLTOP = NLAYS - 1 ! if you get here: top never found\n\n ELSE\n\n CLTOPUSTBL = CLTOP ! store unstable cloud top\n\n END IF\n\n267 CONTINUE ! loop exit target\n\n CONV_DEP( COL,ROW, N_SPC_WDEP + 3 ) = FLOAT( CLBASE )\n\n IF ( ICLDTYPE .EQ. 1 ) THEN ! store raining cloud top and proceed\n\n CONV_DEP( COL,ROW, N_SPC_WDEP + 4 ) = FLOAT( CLTOP )\n\n ELSE ! get cloud top for either CNP or PFW\n\n IF ( ZLCL .GT. PBL( COL,ROW ) ) GO TO 299\n\nC...compute relative humidity at the cloud source level\n\n RLHSRC = MIN( 1.0, QVL( SRCLAY )\n & / QSAT( ESAT( TAL( SRCLAY ) ), PRESL( SRCLAY ) ) )\n\nC...If all tests pass, then a CNP or PFW cloud exists\nC... Proceed to find CLTOP for CNP or PFW; don`t allow\nC... cloud top to exceed 500mb, or, when RH falls below\nC... 65%, cloud top found\n\nC...Distiguish between CNP and PFW by whether rain is falling\nC... in the cell; if PFW, limit depth and find new CLTOP,\nC... else leave CLTOP alone\n\n IF ( CLTOP .EQ. CLBASE ) THEN\n GO TO 322\n ELSE ! confine PFW to 1500 meters\n CTOP = CLTOP\n\n DO LAY = CTOP, CLBASE, -1\n IF ( ZH( COL,ROW,LAY ) - ZH( COL,ROW,CLBASE ) .LE. 3000.0 ) THEN\n CLTOP = LAY\n GO TO 322 ! exit loop\n END IF\n END DO\n\n END IF\n\n322 CONTINUE ! loop exit for PFW cloud\n\nC...If unstable CNP or PFW, limit CLTOP to CLTOPUSTBL so that\nC... QAD profile is known through cloud depth for entrainment\nC... solver\n\n IF ( ISOUND .EQ. 1 ) CLTOP = MIN( CLTOP, CLTOPUSTBL )\n\nC...Now compute fractional coverage for either CNP or PFW:\nC...Now based on Sunqdvist et al. 1989 DOI: 10.1175/1520-0493(1989)117<1641:CACPSW>2.0.CO;2 \n FRAC = 0.0\n IF ( NINT( GRID_DATA%LWMASK( COL,ROW ) ) .EQ. 1 ) THEN ! land\n IF ( RLHSRC .GE. RCRITL )\n & FRAC = 1.0 - SQRT( ( 1.0 - RLHSRC ) / ( 1.0 - RCRITL ) )\n ELSE ! water\n IF ( RLHSRC .GE. RCRITW )\n & FRAC = 1.0 - SQRT( ( 1.0 - RLHSRC ) / ( 1.0 - RCRITW ) )\n END IF\n FRAC = MAX( 0.0, MIN( FRAC, 0.95 ) )\n\n IF ( FRAC .LT. 0.01 ) GO TO 299\n\n CONV_DEP( COL,ROW, N_SPC_WDEP + 5 ) = FLOAT( CLTOP ) ! store NP cloud top\n CONV_DEP( COL,ROW, N_SPC_WDEP + 8 ) = FRAC\n\n END IF ! end of existence, depth and frac cov calc for\n ! either PFW or CNP clouds\n\nC...Now cloud existence is established, initialize various\nC... variables needed for rest of computations\n\nC...First, get mol air/m2 at each layer, initialize FSIDE\n\n DO LAY = 1, NLAYS\n RHOM2( LAY ) = DENSL( LAY ) * DZZL( LAY ) * 1.0E3 / MWAIR\n FSIDE( LAY ) = 0.0\n END DO\n\n DO SPC = 1, NSPCSD\n REMOV( SPC ) = 0.0 ! mol/m2 or mm*mol/lit scavenged\n CEND ( SPC ) = 0.0 ! ending equiv gas phase conc (mol/mol)\n BMOL ( SPC ) = 0.0 ! mol/m2 species below cloud\n POLC ( SPC ) = 0.0 ! mol/m2 species in cloud\n\n DO LAY = 1, NLAYS\n PCLD( SPC,LAY ) = 0.0 ! mol sp/mol air in cloud\n END DO\n\n END DO\n\nC...compute no. of moles air below cloud base and inverse\n\n AIRMB0 = 0.0\n DO LAY = 1, CLBASE - 1\n AIRMB0 = AIRMB0 + RHOM2( LAY )\n END DO\n\nC...take the inverse\n\n AIRMBI = 1.0 / AIRMB0\n\nC...below cloud base\n\n DO LAY = 1, CLBASE - 1\n\nC...determine no. of mol/m2 of trace gas\n\n DO SPC = 1, NSPCSD\n BMOL( SPC ) = BMOL( SPC ) + CONC( SPC,LAY ) * RHOM2( LAY )\n END DO\n\n END DO\n\nC...determine average trace gas mixing ratio below cloud level\n\n DO SPC = 1, NSPCSD\n CBASE0( SPC ) = BMOL( SPC ) * AIRMBI\n CBASEF( SPC ) = CBASE0( SPC )\n END DO\n\nC...Initialize variables needed for entrainment and in-cloud properties solver\n\n QXS = 0.0 ! integrated excess water over grid cell nec. for rnout\n AIRM = 0.0 ! total air mass (mol/m2) in cloudy layers\n PBARC = 0.0 ! in-cloud average pressure\n CTHK = 0.0 ! cloud thickness (m)\n WCBAR = 0.0 ! condensed wat cont (kg/m2) integ. thru cloud depth\n WTBAR = 0.0 ! total wat cont (kg/m2) integrated thru cloud depth\n TBARC = 0.0 ! cloud mean temp (K)\n JH2O2_BAR = 0.0 ! cloud H2O2 photolysis, 1/min\n JHNO3_BAR = 0.0 ! cloud HNO3 photolysis, 1/min\n\n\nC...Determine condensed water content and entrainment at each cloud level\nC...Determine FSIDE profile for raining clouds; side entrainment\nC... only for PFW and CNP clouds\n\n IF ( ICLDTYPE .EQ. 1 ) THEN ! raining cloud\n\n IF ( CLBASE .EQ. CLTOP ) THEN\n FSIDE( CLBASE ) = 1.0\n ELSE\n\n DO LAY = CLBASE, CLTOP\n FSIDE( LAY ) = 1.0\n END DO\n\n END IF\n\n ELSE ! CNP or PFW\n\n DO LAY = CLBASE, CLTOP\n FSIDE( LAY ) = 1.0\n END DO\n\n END IF\n\nC...Use Warner profile to close system of conservation and\nC... thermodynamic equations solved iteratively, using Secant solver\n\n DO LAY = CLBASE, CLTOP\n WL = 0.7 * EXP( ( PRESL( LAY ) - PLCL ) * 0.000125 ) + 0.2\n\n IF ( LAY .EQ. CLBASE ) THEN\n P1 = 0.5 * ( PRESL( LAY ) + PRESL( LAY - 1 ) )\n\n IF ( PLCL .LT. P1 ) THEN\n P2 = 0.5 * ( PRESL( LAY + 1 ) + PRESL( LAY ) )\n P3 = ( P2 + PLCL ) * 0.5\n WL = 0.7 * EXP( ( P3 - PLCL ) * 0.000125 ) + 0.2\n END IF\n\n END IF\n\nc...original Walcek bisection solver\n\n QWAT( LAY ) = WL * ( QMAX - QAD( LAY ) )\n QWAT( LAY ) = MAX( QWAT( LAY ), 1.0E-20 )\n\n TEMPA = TSAT( LAY ) - 20.0\n TEMPB = TSAT( LAY ) + 10.0\n\n QENT = FSIDE( LAY ) * QVL( LAY )\n & + ( 1.0 - FSIDE( LAY ) ) * QVL( CLTOP )\n QDIF = QENT - QMAX\n IF ( QDIF .EQ. 0.0 ) QDIF = 1.0E-10\n F( LAY ) = ( QSAT( ESAT( TEMPA ), PRESL( LAY ) )\n & + QWAT( LAY ) - QMAX ) / QDIF\n F( LAY ) = MIN( F( LAY ), 1.0 )\n F( LAY ) = MAX( F( LAY ), 0.0 )\n\n TTOP = TAL( CLTOP ) * ( PRESL( LAY ) / PRESL( CLTOP ) ) ** ROVCP\n TENT = TTOP * ( 1.0 - FSIDE( LAY ) ) + TAL( LAY ) * FSIDE( LAY )\n\n TI = TSAT( LAY ) * ( 1.0 - F( LAY ) ) + TENT * F( LAY )\n DQL = ( QMAX - QAD( LAY ) ) * ( 1.0 - F( LAY ) - WL )\n DQI = 0.0\n\n IF ( TEMPA .LT. 273.15 ) THEN\n DQI = -QWAT( LAY ) * ( TEMPA - 273.15 ) / 18.0\n IF ( TEMPA .LE. 255.15 ) DQI = QWAT( LAY )\n END IF\n\n FA = CPD * ( TEMPA - TI ) + LV0 * DQL + LF0 * DQI\n\nC...test for convergence, then cut the interval in half\n\n I599C = 0\n\n599 CONTINUE\n\n HTST = TEMPB - TEMPA\n IF ( HTST .LT. TST ) GO TO 595 ! convergence\n I599C = I599C + 1\n\n IF ( I599C .GT. 1000 ) THEN\n WRITE( XMSG, 91010 )\n & 'NO CONVERGENCE IN ENTRAINMENT SOLVER AT COL= ',\n & COL, ' ROW= ', ROW, ' ICLDTYPE= ', ICLDTYPE\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n\n TEMPC = ( TEMPA + TEMPB ) * 0.5\n QENT = FSIDE( LAY ) * QVL( LAY )\n & + ( 1.0 - FSIDE( LAY ) ) * QVL( CLTOP )\n QDIF = QENT - QMAX\n IF ( QDIF .EQ. 0.0 ) QDIF = 1.0E-10\n F( LAY ) = ( QSAT( ESAT( TEMPC ), PRESL( LAY ) )\n & + QWAT( LAY ) - QMAX ) / QDIF\n F( LAY ) = MIN( F( LAY ), 0.99 )\n F( LAY ) = MAX( F( LAY ), 0.01 )\n TTOP = TAL( CLTOP ) * ( PRESL( LAY ) / PRESL( CLTOP ) ) ** ROVCP\n TENT = TTOP * ( 1.0 - FSIDE( LAY ) ) + TAL( LAY ) * FSIDE( LAY )\n TI = TSAT( LAY ) * ( 1.0 - F( LAY ) ) + TENT * F( LAY )\n DQL = ( QMAX - QAD( LAY ) ) * ( 1.0 - F( LAY ) - WL )\n DQI = 0.0\n\n IF ( TEMPC .LT. 273.15 ) THEN\n DQI = -QWAT( LAY ) * ( TEMPC - 273.15 ) / 18.0\n IF ( TEMPC .LE. 255.15 ) DQI = QWAT( LAY )\n END IF\n\n FB = CPD * ( TEMPC - TI ) + LV0 * DQL + LF0 * DQI\n\n FTST = FA * FB\n\nC...if fa*fb < 0 then zero lies between ta & tc\nC...if fa*fb > 0 then zero lies between tc & tb\n\n IF ( FTST .LE. 0.0 ) THEN\n TEMPB = TEMPC\n ELSE\n TEMPA = TEMPC\n END IF\n GO TO 599\n\n595 CONTINUE ! exit from iterator, convergence achieved\n\nC...we have obtained parcel temp TEMPC at layer LAY\nC...and entrainment fraction F(LAY)\n\nC...end of Walcek bisection solver\n\n TCLD( LAY ) = MAX( TEMPC, 150.0 )\n\nC...ice load in cloud is a function of temperature below freezing\n\n IF ( TCLD( LAY ) .LT. 273.15 ) THEN\n QICE( LAY ) = -QWAT( LAY ) * ( TCLD( LAY ) - 273.15 ) / 18.0\n IF ( TCLD( LAY ) .LE. 255.15 ) QICE( LAY ) = QWAT( LAY )\n END IF\n\nC...After determining the ice fraction, compute the actual\nC... liquid water mixing ratio:\n\n QLQD( LAY ) = QWAT( LAY ) - QICE( LAY )\n\nC...compute the Liquid Water Content (LWC) by taking the\nC... product of the liquid wat mix ratio and the air density\nC... LWC in kg H2O per m**3 air:\n\n RHOAIR = PRESL( LAY ) / ( RDGAS * TCLD( LAY ) )\n LWC( LAY ) = QLQD( LAY ) * RHOAIR\n LWC( LAY ) = MAX( 5.0E-6, LWC( LAY ) ) ! lower limit\n TWC = QWAT( LAY ) * RHOAIR ! total water content\n\nC...Now perform vertical integration, weighting by liquid water\nC... content so that averaged quantities (used in Aqueous\nC... Chemistry) get the greatest weight where the liquid\nC... water content is greatest.\n\nC...weighted cloud temp\n TBARC = TBARC + TCLD( LAY ) * DZZL( LAY ) * LWC( LAY )\n\nC...weighted cloud pres\n PBARC = PBARC + PRESL( LAY ) * DZZL( LAY ) * LWC( LAY )\n\nC...weighted photolysis rate \n JH2O2_BAR = JH2O2_BAR + JH2O2( LAY ) * DZZL( LAY ) * LWC( LAY ) \n JHNO3_BAR = JHNO3_BAR + JHNO3( LAY ) * DZZL( LAY ) * LWC( LAY ) \n\nC...integrated liquid water content (kg/m3)\n WCBAR = WCBAR + DZZL( LAY ) * LWC( LAY )\n\nC...integrated total water content\n WTBAR = WTBAR + DZZL( LAY ) * TWC\n CTHK = CTHK + DZZL( LAY ) ! Cloud thickness\n\nC...Now compute integrated excess water over grid cell\nC... average necessary for rainout, through cloud depth.\nC... First, get max temp in the cell (either in cloud or env.)\n\n T1 = MAX( TCLD( LAY ), TAL( LAY ) )\n\nC...get saturation water vapor mixing ratio at that temp:\n\n QVC( LAY ) = QSAT( ESAT( T1 ), PRESL( LAY ) )\n\nC...excess water is the sum of total condensed and saturated\nC... vapor minus grid cell average mixing ratio: QXS in kg/m2:\nC... integrated through cloud depth\n\n QXS = QXS\n & + ( QWAT( LAY ) + QVC( LAY ) - QVL( LAY ) )\n & * RHOAIR * DZZL( LAY )\n\nC...get total air mass in cloudy layers:\n\n AIRM = AIRM + RHOM2( LAY )\n\n END DO\n\nC...Now begin to split calculations for non-raining and raining\nC... clouds depending on inner loop index ICLDTYPE (1 = raining,\nC... 2 = nonraining: either CNP of PFW:)\n\n IF ( ICLDTYPE .EQ. 2 ) THEN ! no precip or excess water\n PRATE1 = 1.0E-30\n PRATE = 1.0E-30\n QXS = 1.0E-30\n GO TO 7000 ! branch for further CNP or PFW calculations\n END IF\n\nC...continue here for raining cloud...\n\nC...get PRATE1, storm rainout rate in mm/hour, noting that 1 kg\nC... of water occupies a 1 mm thick layer of water in a square meter\nC... of ground (accounts for density of water = 1000 kg/m3)\n\n PRATE1 = STORME * QXS * 3600.0 / TCLIFE\n IF ( PRATE1 .LE. 1.001 * PRATE ) THEN\n FRAC = 0.999 ! Changed back to .999 - jp 6/05\n PRATE1 = PRATE / FRAC\n ELSE\n FRAC = PRATE / PRATE1\n END IF\n IF ( FRAC .LT. 0.01 ) GO TO 299\n\nC...for raining cloud, compute water properties of interest\nC... below cloud base. First, parameterize total water content\n\n TWC = ( 0.067 * PRATE ** ( 0.846 ) ) / ( FRAC * 1000.0 ) ! tot wat cont kg/m3\n\n DO LAY = 1, CLBASE - 1\n TCLD( LAY ) = TAL( LAY )\n RHOAIR = PRESL( LAY ) / ( RDGAS * TCLD( LAY ) )\n QWAT( LAY ) = TWC / RHOAIR ! kg H2O / kg air\n\nC...again partition into ice and liquid\n\n IF ( TCLD( LAY ) .LT. 273.15 ) THEN\n QICE( LAY) = -QWAT( LAY ) * ( TCLD( LAY ) - 273.15 ) / 18.0\n IF ( TCLD( LAY ) .LE. 255.15 ) QICE( LAY ) = QWAT( LAY )\n END IF\n\n QLQD( LAY ) = QWAT( LAY ) - QICE( LAY )\n LWC ( LAY ) = QLQD( LAY ) * RHOAIR\n LWC ( LAY ) = MAX( 5.0E-06, LWC( LAY ) ) ! lower limit\n PBARC = PBARC + PRESL( LAY ) * DZZL( LAY ) * LWC( LAY )\n TBARC = TBARC + TCLD( LAY ) * DZZL( LAY ) * LWC( LAY )\n WCBAR = WCBAR + DZZL( LAY ) * LWC( LAY )\n WTBAR = WTBAR + DZZL( LAY ) * TWC\n CTHK = CTHK + DZZL( LAY )\n JH2O2_BAR = JH2O2_BAR + JH2O2( LAY ) * DZZL( LAY ) * LWC( LAY )\n JHNO3_BAR = JHNO3_BAR + JHNO3( LAY ) * DZZL( LAY ) * LWC( LAY )\nC...excess water is all rain\n\n QXS = QXS + QWAT( LAY ) * RHOAIR * DZZL( LAY )\n \n END DO\n\nC...Final calc of storm rainfall rate and frac area (raining clds)\n\n PRATE1 = STORME * QXS * 3600.0 / TCLIFE\n\n IF ( PRATE1 .LE. 1.001 * PRATE ) THEN\n FRAC = 0.999 ! Changed back to .999 - jp 6/05\n PRATE1 = PRATE / FRAC\n ELSE\n FRAC = PRATE / PRATE1\n END IF\n IF ( FRAC .LT. 0.01 ) GO TO 299\n \n CONV_DEP( COL,ROW, N_SPC_WDEP + 7 ) = FRAC\n\n7000 CONTINUE ! target of cloudtype split\n\n\nC...Begin mixing section, perform first for raining clouds using\nC... modified form of original Walcek mixing for RADM: mixing\nC... limited to 1 layer above cloud top; next for CNP or PFW clouds\nC... using direct exchange mixing mechanism by McHenry.\n\n DO SPC = 1, MXSPCS\n DO LAY = 1, NLAYS\n CCR( SPC, LAY ) = CONC( SPC,LAY )\n END DO\n CBELOW( SPC ) = CBASE0( SPC )\n END DO\n\n! -- Need to use dens * delz for ACM mixing\n DO LAY = 1, NLAYS\n DZH(LAY) = RHOM2( LAY )\n ENDDO\n LAY = CLBASE - 1\n\n DZH(LAY) = AIRMB0\n\n CALL ACMCLD ( NSPCSD, NLAYS, F, CCR, DZH, CBELOW, CLBASE, CLTOP,\n & FRAC, TCLIFE, DTCLD )\n\n DO SPC = 1, MXSPCS\n CBASEF( SPC ) = CBELOW( SPC ) \n END DO\n\n DO LAY = CLTOP, CLBASE, -1\n DO SPC = 1, NSPCSD\n CONDIS = CONC( SPC,LAY )\n PCLD( SPC,LAY ) = F( LAY ) * ( FSIDE( LAY ) * CONDIS )\n & + ( 1.0 - F( LAY ) ) * CBASE0( SPC )\n PCLD( SPC,LAY ) = MIN( PCLD( SPC,LAY ), CCR( SPC,LAY ) / FRAC )\n\nC...POLC in mol sp/m2\n\n POLC( SPC ) = POLC( SPC )\n & + PCLD( SPC,LAY ) * RHOM2( LAY )\n END DO\n END DO\n\nC...Now compute for raining region below cloud which is also considered\nC... to be part of the aqueous reaction chamber\n\n DO LAY = 1, CLBASE - 1\n AIRM = AIRM + RHOM2( LAY )\n\n DO SPC = 1, NSPCSD\n IF ( CBASE0( SPC ) .EQ. 0.0 ) THEN\n BCLDWT = 1.0 / CLBASE\n ELSE\n BCLDWT = CONC( SPC,LAY ) / MAX( CBASE0( SPC ), 1.0E-30 )\n END IF\n PCLD( SPC,LAY ) = BCLDWT * CBASEF( SPC )\n \nC...Necessary because CBASEF and CBASE0 are the ending vertical averages\nC... below cloud concentrations in mol sp/mol air\n\n IF ( ICLDTYPE .EQ. 1 ) THEN\n POLC( SPC ) = POLC( SPC ) + PCLD( SPC, LAY ) * RHOM2( LAY )\n END IF\n END DO\n END DO\n\nC...Compute cloud mean quantities\n\n AIRM = MAX( AIRM, 1.0E-30 ) ! tot. air mass in cloudy layers in mol/m2\n\n WCBAR = MAX( WCBAR, 1.0E-30 ) ! liq.wat. content in kg/m3 * CTHK\n\n WTBAR = MAX( WTBAR, 1.0E-30 ) ! condensed wat cnt: kg/m3 * CTHK\n\n CTHK = MAX( CTHK, 1.0E-30 ) ! cloud thickness, meters\n\n TBARC = TBARC / WCBAR ! deg K (note WCBAR has hidden factor CTHK in it)\n PBARC = PBARC / WCBAR ! avg cloud pres, Pa\n\n JH2O2_BAR = JH2O2_BAR / WCBAR ! avg H2O2 photolysis, 1/min\n JHNO3_BAR = JHNO3_BAR / WCBAR ! avg HNO3 photolysis, 1/min\n\n WCBAR = WCBAR / CTHK ! avg liq wat content in kg/m3\n\n WTBAR = WTBAR / CTHK ! avg con wat content in kg/m3\n\nC...Calculate the cloud optical depth using a formula derived from\nC... Stephens (1978), JAS(35), pp2111-2132.\nC... only calculate the cloud optical depth when the liquid water\nC... path is >= 10 g/m2\n\n LWP = WTBAR * CTHK * 1000.0 ! converts to g/m2\n IF ( LWP .GE. 10.0 ) THEN\n CLOD = 10.0 ** ( 0.2633 + 1.7095 * LOG( LOG10( LWP ) ) )\n ELSE\n CLOD = 0.0\n END IF\n\nC...If no cloud or optical depth < 5, set clear sky values.\nC... (i.e. don`t do anything)\n\n IF ( CLOD .GE. 5.0 ) THEN\n\n STRNS = 1.0 + FRAC * ( ( 5.0 - EXP ( -CLOD ) )\n & / ( 4.0 + 0.42 * CLOD ) - 1.0 )\n\n IF ( ICLDTYPE .EQ. 1 ) THEN ! precipitating cloud\n SUBTRANS( COL,ROW,1 ) = STRNS\n ELSE\n SUBTRANS( COL,ROW,2 ) = STRNS\n END IF\n \n END IF\n\nC...Finally, get in cloud pollutant concentrations in mol sp per mol air\n\n DO SPC = 1, NSPCSD\n POLC ( SPC ) = POLC( SPC ) / AIRM\n CEND ( SPC ) = POLC( SPC )\n REMOV( SPC ) = 0.0\n END DO\n\n REMOVAC = 0.0\n\n ARPRES = PBARC / STDATMPA\n RTCH = ( MOLVOL / STDTEMP ) * TBARC\n CTHK1 = AIRM * RTCH / ( ARPRES * 1000.0 )\n\n CALL SCAVWDEP ( JDATE, JTIME, WTBAR,\n & WCBAR, TBARC, PBARC,\n & CTHK1, AIRM, PRATE1, DTCLD, POLC, CEND,\n & REMOV, REMOVAC, ALFA0, ALFA2, ALFA3 )\n\nC...if the liquid water content is above the specified threshold\nC... then perform the aqueous chemistry within the cloud and\nC... re-adjust the ending and removed amounts for those species\nC... that participated in cloud chemistry\n\n IF ( WCBAR .GT. 1.0E-05 ) THEN\n \nC... determine day or night from cosine of zenith angle for the cell; Golam Sarwar\n\n COSZ = MET_DATA%COSZEN( COL,ROW )\n\n IF ( COSZ .LE. 0.0 ) THEN\n DARK = .TRUE. ! night\nC...set mean photolysis rates to zero\n JH2O2_HYDROMETEORS = 0.0D0 \n JHNO3_HYDROMETEORS = 0.0D0\n ELSE\n DARK = .FALSE. ! day\nC...convert mean photolysis rates to 1/sec\n JH2O2_HYDROMETEORS = REAL( JH2O2_BAR * MINPERSEC, 8 ) \n JHNO3_HYDROMETEORS = REAL( JHNO3_BAR * MINPERSEC, 8 )\n END IF\n\nC... update variables used in hg_aqchem_data modules\n\n COSINE_ZENITH = REAL( COSZ, 8 )\n\nC *** Golam Sarwar \n\n CALL AQ_MAP ( JDATE, JTIME, WTBAR, WCBAR, TBARC, PBARC,\n & CTHK1, AIRM, PRATE1, DTCLD, POLC, CEND,\n & REMOV, REMOVAC, ALFA0, ALFA2, ALFA3, DARK )\n\n END IF\n\n DO SPC = 1, NSPCSD\n IF ( CEND( SPC ) .LT. 0.0 ) WRITE( LOGDEV,* ) ' CEND,R,C,SP=',\n & CEND( SPC ), ROW, COL, SPC\n END DO\n\nC...weight the removed amount by the cloud fraction and convert\nC... from mol/m2 to kg/m2 and kg/m2 to kg/hectare\n\nC... for gases\n\n SPC = 0\n STRT = GC_STRT\n FINI = GC_STRT - 1 + N_GC_SPC\n DO VAR = STRT, FINI\n SPC = SPC + 1\n REMOV( VAR ) = REMOV( VAR ) * GC_MOLWT( SPC )\n & * M2PHA / GPKG * FRAC\n END DO\n\nC... for aerosols\n\n SPC = 0\n STRT = AE_STRT\n FINI = AE_STRT - 1 + N_AE_SPC\n DO VAR = STRT, FINI\n SPC = SPC + 1\n IF ( ( INDEX( AE_SPC( SPC ), 'NUM' ) .EQ. 0 ) .AND.\n & ( INDEX( AE_SPC( SPC ), 'SRF' ) .EQ. 0 ) ) THEN\n REMOV( VAR ) = REMOV( VAR ) * AE_MOLWT( SPC )\n & * M2PHA / GPKG * FRAC\n ELSE\n REMOV( VAR ) = REMOV( VAR ) * M2PHA * FRAC\n END IF\n END DO\n\nC... for non-reactives\n\n SPC = 0\n STRT = NR_STRT\n FINI = NR_STRT - 1 + N_NR_SPC\n DO VAR = STRT, FINI\n SPC = SPC + 1\n REMOV( VAR ) = REMOV( VAR ) * NR_MOLWT( SPC )\n & * M2PHA / GPKG * FRAC\n END DO\n\nC... for tracers\n\n SPC = 0\n STRT = TR_STRT\n FINI = TR_STRT - 1 + N_TR_SPC\n DO VAR = STRT, FINI\n SPC = SPC + 1\n REMOV( VAR ) = REMOV( VAR ) * TR_MOLWT( SPC )\n & * M2PHA / GPKG * FRAC\n END DO\n\nC...add deposition amounts into the DEP array\n\n DO VAR = 1, N_SPC_WDEP\n CONV_DEP( COL,ROW,VAR ) = CONV_DEP( COL,ROW,VAR )\n & + REMOV( WDEP_MAP( VAR ) )\n END DO\n\nC... and load H+ concentration into the deposition array as well\n\n CONV_DEP( COL,ROW,N_SPC_WDEP+1 ) = CONV_DEP( COL,ROW,N_SPC_WDEP+1 )\n & + REMOVAC\n\nC...Compute concentration changes in the grid column resulting\nC... from subgrid scale vertical mixing:\n\nC...first, below cloud base,\nC... include raining region below cld base\n\n IF ( ICLDTYPE .EQ. 1 ) THEN ! raining cloud\n DO LAY = 1, CLBASE - 1\n DO SPC = 1, NSPCSD\n IF ( SPC .NE. N_GC_SPCD ) THEN\n INCLOUD = PCLD( SPC,LAY ) * CEND( SPC )\n & / MAX( POLC( SPC ), CONCMINL( SPC,LAY ) )\n OUTCLOUD = PCLD( SPC,LAY )\n CGRID( COL,ROW,LAY,SPC ) = FRAC * INCLOUD\n & + ( 1.0 - FRAC ) * OUTCLOUD\n END IF\n END DO\n END DO\n ELSE\n DO LAY = 1, CLBASE - 1\n DO SPC = 1, NSPCSD\n CGRID( COL,ROW,LAY,SPC ) = PCLD( SPC,LAY )\n END DO\n END DO\n END IF\n\nC...Now do changes in cloudy layers:\n\n DO LAY = CLBASE, CLTOP\n DO SPC = 1, NSPCSD\n IF ( SPC .NE. N_GC_SPCD ) THEN\n INCLOUD = PCLD( SPC,LAY ) * CEND( SPC )\n & / MAX( POLC( SPC ), CONCMINL( SPC,LAY ) )\n OUTCLOUD = ( CCR( SPC,LAY ) - FRAC * PCLD( SPC,LAY ) )\n & / ( 1.0 - FRAC )\n OUTCLOUD = MAX( OUTCLOUD, CONCMINL( SPC,LAY ) )\n CGRID( COL,ROW,LAY,SPC ) = FRAC * INCLOUD \n & + ( 1.0 - FRAC ) * OUTCLOUD\n END IF\n END DO\n END DO\n GO TO 301\n\n299 CONTINUE\n\n301 CONTINUE ! end loop on columns COL\n311 CONTINUE ! end loop on rows ROW\n\n RETURN ! from main routine CLDPROC\n\n91010 FORMAT( 3( A, :, I3, : ) )\n\n END\n" }, { "path": "CCTM/src/cloud/acm_ae6_mp/hg_aqchem_data.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/CCTM/src/cloud/cloud_acm_ae6_mp/hg_aqchem_data.F,v 1.3 2011/10/21 16:10:27 yoj Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\n MODULE HG_AQCHEM_DATA\nC-----------------------------------------------------------------------\nC Function: Sets up Data for mercury cloud chemistry and contain subroutine to\nC calculate rates and minimum time steps of its reactions.\n\nC Revision History:\nC 27 Aug 2008 B.Hutzell: initial implementation\nC 06 Jul 2009 J.Bash: Replaced the Hg(II) reduction by HO2 with the \nC reduction mechanism by dicaboxylic acids of \nC Si and Ariya 2008 ES&T \nC 10 Sep 2011 B.Hutzell: updated for CMAQ version 5.0\nC-----------------------------------------------------------------------\n\n\n IMPLICIT NONE\n\n INTEGER, PARAMETER :: NPR = 10 ! number of Hg reactions exclude adsorb/absorb\n\n INTEGER, PARAMETER :: NUMOX_v46 = 5 ! number of oxidizing reactions\n\n INTEGER, PARAMETER :: NHgRXN = 24 ! number of Hg reactions\n\n INTEGER, PARAMETER :: NRXN = NUMOX_v46 + NHgRXN ! number of all reactions\n\n\nC... INDICES FOR MERCURIC REDOX REACTIONS\n\n INTEGER :: IHG ! counter index over Hg rxns\n INTEGER, SAVE :: IHG_OX = 1 ! Hg(aq) + O3(aq) => HgO(aq) '\n INTEGER, SAVE :: IHGSO3 = 2 ! HgSO3 => Hg(aq) + S(IV) van Loon et al. '\n INTEGER, SAVE :: IHGHY = 3 ! Hg(OH)2 => Hg + products '\n INTEGER, SAVE :: IOHRAD = 4 ! Hg(aq) + OHRAD(aq) => Hg(II) '\n INTEGER, SAVE :: ICLI = 5 ! oxidation by CL2 dissocations products (HOCL and OCL)\n INTEGER, SAVE :: IORGC = 6 ! Reduction of all Hg(II) species by oxalate RXN 6\nC Hg(II) + R(CO2)2 => Hg+ + products\nC Hg+ + HORCO2 => Hg(aq) + products\n INTEGER, SAVE :: IHGDISULF = 7 ! Reduction of Hg(SO3)2 by oxalate RXN 7\n INTEGER, SAVE :: IHGOHP = 8 ! Reduction of HgOHp by oxalate RXN 8\n INTEGER, SAVE :: IHGOHCL = 9 ! Reduction of HgOHCL by oxalate RXN 9\n INTEGER, SAVE :: IHGCL2 = 10 ! Reduction of HgCL2 by oxalate RXN 9\n INTEGER, SAVE :: ISHGCL2 = NPR + 1 ! index for HgCl2 sorption\n INTEGER, SAVE :: ISHGSO3 = NPR + 3 ! index for HgSO3 sorption\n INTEGER, SAVE :: ISHGHY = NPR + 5 ! index for HgHY sorption\n INTEGER, SAVE :: ISHGDISULF = NPR + 7 ! index for Hg(SO3)2-- sorption\n INTEGER, SAVE :: ISHGOHP = NPR + 9 ! index for HgOH sorption\n INTEGER, SAVE :: ISHGOHCL = NPR + 11 ! index for HgOHCl sorption\n INTEGER, SAVE :: ISHGII = NPR + 13 ! index for Hg(II) sorption\n INTEGER, SAVE :: IDHGCL2 = NPR + 2 ! index for HgCl2 desorption\n INTEGER, SAVE :: IDHGSO3 = NPR + 4 ! index for HgSO3 desorption\n INTEGER, SAVE :: IDHGHY = NPR + 6 ! index for HgHY desorption\n INTEGER, SAVE :: IDHGDISULF = NPR + 8 ! index for Hg(SO3)2-- desorption\n INTEGER, SAVE :: IDHGOHP = NPR + 10 ! index for HgOH desorption\n INTEGER, SAVE :: IDHGOHCL = NPR + 12 ! index for HgOHCl desorption\n INTEGER, SAVE :: IDHGII = NPR + 14 ! index for Hg(II) desorption\n \n REAL( 8 ) :: COSINE_ZENITH ! solar zenith anagle\n REAL( 8 ) :: PHGCL20 ! total HgCl2 partial pressure (atm)\n REAL( 8 ) :: PHGCL2F ! gas only HgCl2 partial pressure (atm)\nC...Aqueous Species\n REAL( 8 ) :: CLI ! Cl(I) conc in cloudwater (mol/liter), from Cl2(aq)\n REAL( 8 ) :: HGII ! Hg(II) conc in cloudwater (mol/liter)\n REAL( 8 ) :: HGH ! Henry's Law Constant for Hg\n REAL( 8 ) :: HGL ! Hg conc in cloudwater (mol/liter)\n REAL( 8 ) :: HGOHP ! HgOH+ conc in cloudwater (mol/liter)\n REAL( 8 ) :: PHGAKNA ! aitken mercury aerosol in water (moles/L)\n REAL( 8 ) :: PHGACCA ! accum mercury aerosol in water (moles/L)\n REAL( 8 ) :: PHG_AEROSOL_BAK ! previous sorbed Hg(II) in liquid phase\n REAL( 8 ) :: PHG_AEROSOL_NOW ! current sorbed Hg(II) in liquid phase\n REAL( 8 ) :: PHG_AEROSOL_DEL ! PHG_AEROSOL_NOW - PHG_AEROSOL_BAK\n REAL( 8 ) :: SHGCL2 ! Sorbed HgCl2 conc in cloudwater (mol/liter)\n REAL( 8 ) :: SHGSO3 ! Sorbed HgSO3 conc in cloudwater (mol/liter)\n REAL( 8 ) :: SHGDISULF ! Sorbed Hg(SO3)2-- conc in cloudwater (mol/liter)\n REAL( 8 ) :: SHGOHP ! Sorbed HgOHp conc in cloudwater (mol/liter)\n REAL( 8 ) :: SHGHY ! Sorbed Hg(OH)2 conc in cloudwater (mol/liter)\n REAL( 8 ) :: SHGOHCL ! Sorbed HgOHCl conc in cloudwater (mol/liter)\n REAL( 8 ) :: SHGII ! Sorbed HgII conc in cloudwater (mol/liter)\n REAL( 8 ) :: SORBED_HG_INIT ! Initial total sorbed Hg in cloudwater (mol/liter)\n REAL( 8 ) :: AHGCL2 ! additional mass from RGMS to add to SHgCl2\n REAL( 8 ) :: AHGSO3 ! additional mass from RGMS to add to SHgSO3\n REAL( 8 ) :: AHGDISULF ! additional mass from RGMS to add to SHgdisulf\n REAL( 8 ) :: AHGOHP ! additional mass from RGMS to add to SHgOHp\n REAL( 8 ) :: AHGHY ! additional mass from RGMS to add to SHgHY\n REAL( 8 ) :: AHGOHCL ! additional mass from RGMS to add to SHgOHCl\n REAL( 8 ) :: AHGII ! additional mass from RGMS to add to SHgII\n\nC...Henry's Law and Dissociation Constant\n REAL( 8 ) :: HGOHP1 ! First dissociation constant for HgOH+\n REAL( 8 ) :: HGOHP1I ! Inverse HgOHp1\n REAL( 8 ) :: HGOHCL ! HgOHCl conc in cloudwater (mol/liter)\n REAL( 8 ) :: HGOHCL1 ! First dissociation constant for HgOHCl\n REAL( 8 ) :: HGOHCL1I ! Inverse HgOHCl1\n REAL( 8 ) :: HGCL21 ! First dissociation constant for HgCl2\n REAL( 8 ) :: HGCL21I ! Inverse HgCl21\n REAL( 8 ) :: HGCL2H ! Henry's Law Constant for HgCl2\n REAL( 8 ) :: HEFFHGCL2 ! Effective Henry's Law Constant for HgCl2\n REAL( 8 ) :: HGCL21H ! HgCl21 * HgCl2H\n REAL( 8 ) :: HGCL2L ! HgCl2(aq) conc in cloudwater (mol/liter)\n REAL( 8 ) :: HGHY ! Hg(OH)2 conc in cloudwater (mol/liter)\n REAL( 8 ) :: HGHY1 ! Equilibrium constant for Hg(OH)2\n REAL( 8 ) :: HGHY1I ! Inverse HgHY1\n REAL( 8 ) :: HGSO3 ! HgSO3 conc in cloudwater (mol/liter)\n REAL( 8 ) :: HGSO31 ! Equilibrium constant for HgSO3\n REAL( 8 ) :: HGSO31I ! Inverse HgSO31\n REAL( 8 ) :: HGDISULF ! Hg(SO3)2-- conc in cloudwater (mol/liter)\n REAL( 8 ) :: HGDISULF1 ! Equilibrium constant for Hg(SO3)2--\n REAL( 8 ) :: HGDISULF1I ! Inverse Hgdisulf1\nC...reaction rates\n REAL( 8 ) :: K1K2I ! HgSO31I * Hgdisulf1I\n REAL( 8 ) :: K4K5I ! HgOHp1I * HgHY1I\n REAL( 8 ) :: K4K6I ! HgOHp1I * HgOHCl1I\n REAL( 8 ) :: K6A ! Rate constant used in ox of Hg by chlorine\n REAL( 8 ) :: K6B ! Rate constant used in ox of Hg by chlorine\n REAL( 8 ) :: KORGC ! Rate constant used in redux of all HgII by R(CO2)2\n REAL( 8 ) :: RHG6 ! '' Hg with chlorine\n REAL( 8 ) :: RHG_OX ! '' Hg ox by O3\n REAL( 8 ) :: RHGSO3 ! ''\n REAL( 8 ) :: RHGSO3I ! '' , inverse\n REAL( 8 ) :: RHGHY ! ''\n REAL( 8 ) :: RHGHYI ! '' , inverse\n REAL( 8 ) :: ROHRAD ! ''\n REAL( 8 ) :: SOVERL ! Ratio of sorbed to dissolved Hg(II)\n REAL( 8 ) :: XLHG !\n REAL( 8 ) :: XLHGCL2 !\nC...derivatives, differential, and timesteps\n REAL( 8 ) :: DHGDT( NHGRXN ) ! rate of Hg spcs prod in cld (mol/liter/sec)\n REAL( 8 ) :: DHG ( NHGRXN ) ! Hg species product produced over tstep DTWHG(0)\n REAL( 8 ) :: DTWHG_MIN ! safe timestep for mercury chemistry\n REAL( 8 ) :: DTWHG( NRXN ) ! timesteps for mercury chemistry\n\nC...data used for using chemistry diagnositic file\n INTEGER, SAVE :: HG_AQCHEM_LOG\n \n\n CHARACTER( 30 ) :: HG_ACHEM_RXN ( NHgRXN ) ! Hg reaction description\nC...........INSORB is a logical variable used to initialize the fraction\nC of aqueous Hg(II) sorbed to suspended carbon\n\n LOGICAL :: INSORB\n\nc these vars based on jproc method of zenith calculation\n\n CONTAINS\n\n SUBROUTINE INIT_AQCHEM_HG(TEMP, WCAVG, JULIAN_DATE, ITIME, DARK)\n\n! USE AQ_DATA, ONLY : AQCHEM_LAT, AQCHEM_LON\n USE UTILIO_DEFN\n\n IMPLICIT NONE\n\n INCLUDE SUBST_CONST ! commonly used constants\n\n REAL( 8 ), PARAMETER :: H2ODENS = 1000.0D+0 ! density of water (kg/m3) at 20 C and 1 ATM\n\nC...Arguments\n REAL, INTENT( IN ) :: TEMP ! AIR TEMP (K)\n REAL, INTENT( IN ) :: WCAVG ! liquid water content (kg/m3)\n INTEGER, INTENT( IN ) :: JULIAN_DATE ! Julian data, YYYYMMM\n INTEGER, INTENT( IN ) :: ITIME ! time, HHMMSS (GMT)\n LOGICAL, INTENT( IN ) :: DARK ! DARK = TRUE is night, DARK = FALSE is day\n \nC...Local \n REAL( 8 ) :: XL ! conversion factor (liter-atm/mol)\n REAL( 8 ) :: DBLE_TEMP ! TEMP converted to double precision\n REAL :: COSZEN ! cosine of solar zenith angle (dimensionaless)\n REAL :: GMT ! Greenwich mean time (dec.milt)\n\n CHARACTER( 4 ) :: PE_STRING \n CHARACTER( 80 ) :: HG_AQCHEM_LOGFILE \n LOGICAL, SAVE :: FIRSTCALL = .TRUE.\n\nC.. EXTERNAL FUNCTIONS and their descriptions:\n\n REAL, EXTERNAL :: HLCONST\n\n\n IF( FIRSTCALL )THEN\n \n FIRSTCALL = .FALSE.\n \n END IF\n \n GMT = REAL( ITIME, 4 )/8.64E+4\n \n \n HGH = REAL( HLCONST( 'HG ', TEMP, .FALSE., 0.0 ), 8)\n HGCL2H = REAL( HLCONST( 'HGIIGAS ', TEMP, .FALSE., 0.0 ), 8)\n\n! XL = REAL( MOLVOL*(WCAVG/H2ODENS)*(TEMP/STDTEMP), 8) ! conversion factor (l-atm/mol)\n XL = REAL( (MOLVOL*WCAVG*TEMP/STDTEMP), 8) / H2ODENS\n \n XLHG = HGH * XL\n XLHGCL2 = HGCL2H * XL\n\nC...dissociation constant for dissolved mercury species\n\nC K1:\n HGSO31 = 2.0D-13 ! (M)\n HGSO31I= 1.0D+0/HGSO31 ! (M**-1)\nC K2:\n HGDISULF1 = 4.D-12 ! (M)\n HGDISULF1I= 1.0D+0/HGDISULF1\nC K3:\n HGCL21 = 1.D-14 ! (M**2)\n HGCL21I = 1.0D+0/HGCL21 ! (M**-2)\n HGCL21H = HGCL21 * HGCL2H !RB: HGCL21H IS NEVER USED\nC K4:\n HGOHP1 = 2.510D-11 ! (M)\n HGOHP1I = 1.0D+0/HGOHP1\nC K5:\n HGHY1 = 6.310D-12 ! (M)\n HGHY1I = 1.0D+0/HGHY1\nC K6:\n HGOHCL1 = 3.720D-8 ! (M)\n HGOHCL1I = 1.0D+0/3.720D-8\n\n K1K2I = HGSO31I * HGDISULF1I\n K4K5I = HGOHP1I * HGHY1I\n K4K6I = HGOHP1I * HGOHCL1I\n\nC...Hg reaction rates RXN\nC Hg(aq) + O3(aq) => HgO(aq) RXN 1 4.7E7\n RHG_OX = 4.7D+7\n\n DBLE_TEMP = REAL( TEMP, 8)\nC HgSO3 => Hg(aq) + S(IV) RXN 2 from Van Loon et al.\n RHGSO3 = DBLE_TEMP * DEXP( (31.971D+0*DBLE_TEMP - 12595.0D+0)/DBLE_TEMP )\n RHGSO3I = 1.0D+0/RHGSO3\n IHGSO3 = 2\n\nC Hg(OH)2 => Hg + products RXN 3 3.00D-7\n IF ( .NOT. DARK ) THEN\n RHGHY = 6.00D-7 * COSINE_ZENITH ! RATE NORMALIZED TO SOLAR FLUX \n RHGHYI = 1.0D+0/RHGHY\n ELSE\n RHGHY = 0.0D+0\n RHGHYI = 0.0D+0 ! NOT USED IF RHGHY = 0\n END IF\n\nC Hg(aq) + OHRAD(aq) => Hg(II) RXN 4 2.0E9\n ROHRAD = 2.0D+9\n\nC OXIDATION OF Hg(aq) BY CHLORINE (HOCl and OCl-) RXN 5\n\nC Hg(aq) + HOCl(aq) => Hg(II) + products\nC Hg(aq) + OCl- --(H+)--> Hg(II) + products\nC HOCl <=> H+ + OCl- K = 10**-7.5\n\n K6A = 2.09D+6\n K6B = 1.99D+6\n\nC Reduction of all Hg(II) species by R(CO2)2 RXN 6\nC Hg(II) + R(CO2)2 => Hg+ + products\nC Hg+ + HORCO2 => Hg(aq) + products\nC Overall: Hg(II) + R(CO2)2 => Hg(aq) + products\n IF ( COSINE_ZENITH .GT. 0.0D+0 ) THEN\n KORGC = 1.2D+4 * COSINE_ZENITH ! 1/(M S)\n ELSE \n KORGC = 0.0D+0\n END IF\n\nC ADSORPTION AND DESORPTION: RXN 7-20\nC\nC All Hg(II) species sorb/desorb at the same time rate\nC\nC HgCl2L => SHgCl2 RXN 7 adsorb = RHgad\nC SHgCl2 => HgCl2L RXN 8 desorb = RHgde\nC HgSO3 => SHgSO3 RXN 9 adsorb = RHgad\nC SHgSO3 => HgSO3 RXN 10 desorb = RHgde\nC HgHY => SHgHY RXN 11 adsorb = RHgad\nC SHgHY => HgHY RXN 12 desorb = RHgde\nC Hgdisulf => SHgdisulf RXN 13 adsorb = RHgad\nC SHgdisulf => Hgdisulf RXN 14 desorb = RHgde\nC HgOHp => SHgOHp RXN 15 adsorb = RHgad\nC SHgOHp => HgOHp RXN 16 desorb = RHgad\nC HgOHCl => SHgOHCl RXN 17 adsorb = RHgad\nC SHgOHCl => HgOHCl RXN 18 desorb = RHgad\nC HgII => SHgII RXN 19 adsorb = RHgad\nC SHgII => HgII RXN 20 desorb = RHgad\n\n\n DO IHG = 1, NHGRXN\n\n DHGDT( IHG ) = 0.0D+0\n DHG ( IHG ) = 0.0D+0\n\n END DO\n\n SORBED_HG_INIT = 0.0D+0\nc...set history rgms to 0 hg before the time loop begins.\n PHG_AEROSOL_BAK = 0.0D+0\n \n1001 FORMAT(65(1x, A16))\n\n RETURN\n END SUBROUTINE\n REAL( 8 ) FUNCTION HGCL2_FACTOR_HLCONST( SO3, OH, CL, ACT_SQU) RESULT (HLCONST_FACTOR)\n \n IMPLICIT NONE\n \nC Inputs:\n REAL( 8 ), INTENT ( IN ) :: SO3 ! SO3= conc in cloudwater (mol/liter)\n REAL( 8 ), INTENT ( IN ) :: OH ! OH conc in cloudwater (mol/liter)\n REAL( 8 ), INTENT ( IN ) :: CL ! total Cl- conc in cloudwater (mol/liter)\n REAL( 8 ), INTENT ( IN ) :: ACT_SQU ! activity factor correction for squared ions conc. ( dimensionaless )\n \nC Result:\n REAL( 8 ) HLCONST_EFECTIVE ! Effective Henry's Law Constant for Mercuric Chloride \n \nC Local: \n REAL( 8 ) CL_SAFE ! CL ion filtered by MIN test\n REAL( 8 ) RECIPCL2 ! reciprocal of CL ion times ACT2\n\n CL_SAFE = MAX( CL, 1.0D-10)\n\n RECIPCL2 = 1.0D+0 / (CL_SAFE*CL_SAFE*ACT_SQU)\n\n HLCONST_FACTOR = (1.0D+0 + HGCL21*RECIPCl2\n & * (1.0D+0 + HGSO31I*SO3 + K1K2I*SO3*SO3\n & + HGOHP1I*OH +K4K5I*OH*OH \n & + K4K6I*OH*CL_SAFE )) \n \n \n RETURN\n \n END FUNCTION HGCL2_FACTOR_HLCONST\nC\n SUBROUTINE MERCURY_RATES(WCAVG, DTRMV, EC, O3L, HPLUS, OHRAD, ORGC,\n & HOCL, OCL)\n\n IMPLICIT NONE\n\n INCLUDE SUBST_CONST ! commonly used constants\n\n\n REAL, INTENT( IN ) :: WCAVG ! Liquid water content (kg/m3)\n REAL( 8 ), INTENT( IN ) :: EC ! elemental carbon acc+akn aerosol in cloudwater (mol/liter)\n REAL( 8 ), INTENT( IN ) :: DTRMV ! Minimum time step required\n REAL( 8 ), INTENT( IN ) :: O3L ! ozone dissolved in cloud water (mol/liter)\n REAL( 8 ), INTENT( IN ) :: HPLUS ! hydrogen ion concentration (mol/liter)\n REAL( 8 ), INTENT( IN ) :: OHRAD ! OH ion concentration (mol/liter)\n REAL( 8 ), INTENT( IN ) :: ORGC ! Assumed Oxalic acid concentration (mol/liter)\n REAL( 8 ), INTENT( IN ) :: HOCL ! HOCL in cloud water (mol/liter)\n REAL( 8 ), INTENT( IN ) :: OCL ! OCL in cloud water (mol/liter)\n \n\n REAL( 8 ) SOVD ! sorbed Hg(II) / desorbed Hg(II)\n REAL( 8 ) SF ! fraction of aqueous Hg(II) sorbed to E.C.\n REAL( 8 ) ECW ! elem. carbon suspended in water (g / liter)\n REAL( 8 ) EC5 ! EC * 5\n \n REAL( 8 ) RHGAD ! HG overall adsorption\n REAL( 8 ) RHGADI ! '' , inverse\n REAL( 8 ) RHGDE ! HG overall desorption\n REAL( 8 ) RHGDEI ! '' , inverse\n REAL( 8 ) KEQHOCL ! equilib constant used in ox of Hg by chlorine\n REAL( 8 ) MINCARB ! 1.00D-18/WCAVG in g/Liter\n \n REAL( 8 ) DHGPROLOSS ! sum of mercury species production and loss terms over dt\n REAL( 8 ) DHG_SCALE ! Rate scale to preserve mass under S controled time step\n REAL( 8 ) LOSS_HG_SPECIES ! sum of reaction rates controling an aqueous species \n \n REAL( 8 ), PARAMETER :: KP = 900.0D+0 ! sorption coeff. from Seigneur et al.(1998)\n REAL( 8 ), PARAMETER :: TFOLD = 3600.0D+0 ! e-folding time for adsorption equilibrium (sec)\n REAL( 8 ), PARAMETER :: FAC_ADS = 1.0D+0 ! toggle factor on adsportion\n\n\n DTWHG( 1:NRXN ) = DTRMV\n DTWHG_MIN = DTRMV\n \nC... first Hg reaction: Hg(aq) + O3(aq) => HgO(aq)\n\n DHGDT(IHG_OX) = RHG_OX * O3L * HGL\nc IF ((DHgDT(IHg_ox) .EQ. 0.0D+0).OR.( HgL .LE. 1.00D-30 ) ) THEN\nc DTWHG(IHg_ox + NUMOX_v46) = DTRMV\nc ELSE\ncC at completion, dtw*dhgdt=min(O3L, HgL) (limiting reagent)\nc DTWHG(IHg_ox + NUMOX_v46) = 0.1D+0 * (MIN(O3L, HgL))/DHgDT(IHg_ox )\nc END IF\n\nC...second Hg reaction: HgSO3 => Hg(aq) + S(IV)\n!WTH:(08/14/09): includes ORGC reduction reaction\n DHGDT(IHGSO3) = (RHGSO3 + KORGC * ORGC) * HGSO3\n IF ( ( DHGDT(IHGSO3) .EQ. 0.0D+0 ).OR.(HGSO3 .LE. 1.00D-30) ) THEN\n DTWHG(IHGSO3 + NUMOX_V46 ) = DTRMV\n ELSE\n DTWHG(IHGSO3 + NUMOX_V46 ) = 0.1D+0 * RHGSO3I\n END IF\n \n\nC...third Hg reaction: Hg(OH)2 => Hg + products\n!WTH:(08/14/09): includes ORGC reduction reaction\n DHGDT(IHGHY) = (RHGHY + KORGC * ORGC) * HGHY\n IF ( ( DHGDT(IHGHY) .EQ. 0.0D+0 ) .OR. ( HGHY .LE. 1.00D-30 ) ) THEN\n DTWHG(IHGHY + NUMOX_V46 ) = DTRMV\n ELSE\n DTWHG(IHGHY + NUMOX_V46 ) = 0.1D+0 * RHGHYI\n END IF\n \nC...fourth Hg reaction: Hg(aq) + OHRAD(aq) => Hg(II)\n DHGDT(IOHRAD) = ROHRAD * OHRAD * HGL\n\nc IF ( ( DHgDT(IOHRAD) .EQ. 0.0D+0 ) .OR. ( HgL .LE. 1.00D-30 ) .OR.\nc & ( OHRAD .LE. 1.00D-30 ) ) THEN\nc DTWHG(IOHRAD + NUMOX_v46 ) = DTRMV\nc ELSE\nc at completion, dtw*dhgdt=min(OHRAD, HgL) (limiting reagent)\nc DTWHG(IOHRAD + NUMOX_v46 ) = 0.1D+0 * (MIN(OHRAD, HgL))/DHgDT(IOHRAD)\nc END IF\n\nC...fifth Hg reaction: OXIDATION OF Hg(aq) BY CHLORINE (HOCl and OCl-)\nC\nC Hg(aq) + HOCl(aq) => Hg(II) + products\nC Hg(aq) + OCl- --(H+)--> Hg(II) + products\nC HOCl <=> H+ + OCl- K = 10**-7.5\nC\n KEQHOCL = 3.16230D-8 ! EQUALS 10**(-7.5)\n \n RHG6 = K6A*HOCL + K6B*OCL\n DHGDT(ICLI) = RHG6 * HGL \nc IF ( ( DHgDT(IClI) .EQ. 0.0D+0 ) .OR. ( HgL .LE. 1.00D-30 ) ) THEN\nc DTWHG(IClI + NUMOX_v46 ) = DTRMV\nc ELSE\nc DTWHG(IClI+ NUMOX_v46 ) = 0.1D+0 * (MIN(HgL, ClI))/DHgDT(IClI)\nc END IF\nc if(DTWHG(IClI+ NUMOX_v46 ) .lt. 0.1D+0 ) then !temporary check\nc DTWHG(IClI+ NUMOX_v46 ) = DTRMV\nc print*,\"Warning: DTW too short for Chlorine ox. of Hg(0)\"\nc end if\n\n\nC...sixth Hg reaction: REDUCTION OF Hg(II) by R(CO2)2\nC\nC Hg(II) + R(CO2)2 => Hg+ + products\nC Hg+ + HORCO2 => Hg(aq) + products\nC Overall: Hg(II) + R(CO2)2 => Hg(aq) + products\nC\n\n DHGDT(IORGC) = KORGC * ORGC * HGII \n IF ( ( DHGDT(IORGC) .EQ. 0.0D+0 ) .OR.( HGII .LE. 1.00D-30 ) ) THEN\n DTWHG(IORGC + NUMOX_V46 ) = DTRMV\n ELSE\n DTWHG(IORGC+ NUMOX_V46 ) = 0.1D+0 * (MIN(ORGC, HGII ))/DHGDT(IORGC)\n END IF\n\n DHGDT(IHGDISULF) = KORGC * ORGC * HGDISULF \n IF ( ( DHGDT(IHGDISULF) .EQ. 0.0D+0 ) .OR.( HGDISULF .LE. 1.00D-30 ) ) THEN\n DTWHG(IHGDISULF + NUMOX_V46 ) = DTRMV\n ELSE\n DTWHG(IHGDISULF+ NUMOX_V46 ) = 0.1D+0 * (MIN(ORGC, HGDISULF ))/DHGDT(IHGDISULF)\n END IF\n \n DHGDT(IHGOHP) = KORGC * ORGC * HGOHP\n IF ( ( DHGDT(IHGOHP) .EQ. 0.0D+0 ) .OR.( HGOHP .LE. 1.00D-30 ) ) THEN\n DTWHG(IHGOHP + NUMOX_V46 ) = DTRMV\n ELSE\n DTWHG(IHGOHP+ NUMOX_V46 ) = 0.1D+0 * (MIN(ORGC, HGOHP ))/DHGDT(IHGOHP)\n END IF\n \n DHGDT(IHGOHCL) = KORGC * ORGC * HGOHCL\n IF ( ( DHGDT(IHGOHCL) .EQ. 0.0D+0 ) .OR.( HGOHCL .LE. 1.00D-30 ) ) THEN\n DTWHG(IHGOHCL + NUMOX_V46 ) = DTRMV\n ELSE\n DTWHG(IHGOHCL+ NUMOX_V46 ) = 0.1D+0 * (MIN(ORGC, HGOHCL ))/DHGDT(IHGOHCL)\n END IF\n \n DHGDT(IHGCL2) = KORGC * ORGC * HGCL2L\n IF ( ( DHGDT(IHGCL2) .EQ. 0.0D+0 ) .OR.( HGCL2L .LE. 1.00D-30 ) ) THEN\n DTWHG(IHGCL2 + NUMOX_V46 ) = DTRMV\n ELSE\n DTWHG(IHGCL2+ NUMOX_V46 ) = 0.1D+0 * (MIN(ORGC, HGCL2L ))/DHGDT(IHGCL2)\n END IF\n \nC...new sorption/desorption code to allow adjustable elemental carbon\nC aerosol air concentrations (Russ Bullock, 09/19/2000)\nc using carbon aerosol within water\n\nc EC here in moles/liter of water\nc\nc times 5 to estimate amount of elem carbon avail if 5% of pm2.5 rather\nc than 1% had been set to elem carbon originally in aero_driver.F of\n\nc EC5 = max(0.0, (EC * 5.0)) ! moles/L\n EC5 = MAX(0.0D+0, EC) ! moles/l\n\nc set min carb as equivilant to 1.0D-12 microg/m**3, and convert this\nc to grams carbon/Liter of water. 1.0D-12 microg/m**3 is\nc 1.0D-18g/m**3, which is (1.0D-18g/m**3)/WCAVG grams/Liter,\nc where WCAVG is liquid water content (kg/m3)\nc (1.0D-18g carb)/m**3 / [(?Kg H20)/m**3] = (1.0D-18g carb) /(?Kg H20)\nc = (1.0D-18g carb) /(?Liters H20)\nc (density of H20 is assumed to be close to 1kg/Liter)\n\n\n ECW = EC5 * 12.01D+0 ! MOLES/LITER * 12G PER MOLE = G/LITER\n MINCARB = 1.00D-18 / WCAVG ! IN G/L\n ECW = MAX(ECW, MINCARB) ! FORCED MIN OF 1.0D-12UG/M**3 AS G/LITER\n\n SOVD = KP * ECW ! SORBED HG(II) / DESORBED HG(II)\n SF = SOVD / (1.0D+0 + SOVD) ! FRACTION SORBED AT EQUILIBRIUM\n \n RHGAD = SF / TFOLD ! ADSORB RATE FOR E-FOLDING TIME\n RHGADI = 1.0D+0 / RHGAD\n RHGDE = RHGAD / SOVD ! DESORB RATE TO YIELD SF AT EQUILIBRIUM\n RHGDEI = 1.0D+0 / RHGDE\n \n RHGDE = FAC_ADS * RHGDE\n RHGDEI = FAC_ADS * RHGDEI\n RHGAD = FAC_ADS * RHGAD\n RHGADI = FAC_ADS * RHGADI\n \nC Adsorption of Hg Species HgSO3 -> SHgSO3\n DHGDT(ISHGSO3) = RHGAD * HGSO3\nc IF ((DHgDT(ISHgSO3) .EQ. 0.0 ).OR.(HgSO3 .LE. 1.00D-30 ))THEN\nc DTWHG(ISHgSO3 + NUMOX_v46 ) = DTRMV\nc ELSE\nc DTWHG(ISHgSO3 + NUMOX_v46 ) = .1* RHgadI\nc END IF\n\nC Desorption of Hg Species SHgSO3 -> HgSO3\n DHGDT(IDHGSO3) = RHGDE * SHGSO3\nc IF ( ( DHgDT(IDHgSO3).EQ.0.0).OR.(SHgSO3.LE.1.00D-30 ) ) THEN\nc DTWHG(IDHgSO3 + NUMOX_v46 ) = DTRMV\nc ELSE\nc DTWHG(IDHgSO3 + NUMOX_v46 ) = 0.1D+0* RHgdeI\nc END IF\n\nC Adsorption of Hg Species HgCl2L -> SHgCl2\n DHGDT(ISHGCL2) = RHGAD * HGCL2L\nc IF ((DHgDT(ISHgCl2) .EQ. 0.0D+0) .OR. (HgCl2L .LE. 1.00D-30)) THEN\nc DTWHG(ISHgCl2 + NUMOX_v46 ) = DTRMV\nc ELSE\nc DTWHG(ISHgCl2 + NUMOX_v46 ) = 0.1D+0 * RHgadI\nc END IF\n\nC Desorption of Hg Species SHgCl2 -> HgCl2L\n DHGDT(IDHGCL2) = RHGDE * SHGCL2\nc IF ((DHgDT(IDHgCl2) .EQ. 0.0D+0 ).OR.( SHgCl2 .LE. 1.00D-30 ))THEN\nc DTWHG(IDHgCl2 + NUMOX_v46 ) = DTRMV\nc ELSE\nc DTWHG(IDHgCl2 + NUMOX_v46 ) = 0.1D+0* RHgdeI\nc END IF\n\nC Adsorption and Loss of Hg Species Hgdisulf -> SHgdisulf\n DHGDT(ISHGDISULF) = RHGAD * HGDISULF\nc IF ((DHgDT(ISHgdisulf).EQ.0.0D+0 ).OR.(Hgdisulf.LE.1.00D-30))THEN\nc DTWHG(ISHgdisulf + NUMOX_v46 ) = DTRMV\nc ELSE\nc DTWHG(ISHgdisulf + NUMOX_v46 ) = .1* RHgadI\nc END IF\n\nC Desorption of Hg Species SHgdisulf -> Hgdisulf\n DHGDT(IDHGDISULF) = RHGDE * SHGDISULF\nc IF ((DHgDT(IDHgdisulf).EQ.0.0D+0).OR.(SHgdisulf.LE.1.00D-30))THEN\nc DTWHG(IDHgdisulf + NUMOX_v46 ) = DTRMV\nc ELSE\nc DTWHG(IDHgdisulf + NUMOX_v46 ) = .1* RHgdeI\nc END IF\n\nC Adsorption and Loss of Hg Species HgOHp -> SHgOHp\n DHGDT(ISHGOHP) = RHGAD * HGOHP\nc IF ( (DHgDT(ISHgOHp) .EQ. 0.0D+0 ).OR.( HgOHp .LE. 1.00D-30))THEN\nc DTWHG(ISHgOHp + NUMOX_v46 ) = DTRMV\nc ELSE\nc DTWHG(ISHgOHp + NUMOX_v46 ) = .1* RHgadI\nc END IF\n\nC Desorption of Hg Species SHgOHp -> HgOHp\n DHGDT(IDHGOHP) = RHGDE * SHGOHP\nc IF (( DHgDT(IDHgOHp) .EQ. 0.0 ).OR.( SHgOHp .LE.1.00D-30) )THEN\nc DTWHG(IDHgOHp + NUMOX_v46 ) = DTRMV\nc ELSE\nc DTWHG(IDHgOHp + NUMOX_v46 ) = .1* RHgdeI\nc END IF\n\nC Adsorption and Loss of Hg Species HgOHCl -> SHgOHCl\n DHGDT(ISHGOHCL) = RHGAD * HGOHCL\nc IF ((DHgDT(ISHgOHCl).EQ.0.0D+0 ).OR.( HgOHCl .LE. 1.00D-30 ) )THEN\nc DTWHG(ISHgOHCl + NUMOX_v46 ) = DTRMV\nc ELSE\nc DTWHG(ISHgOHCl + NUMOX_v46 ) = .1* RHgadI\nc END IF\n\nC Desorption of Hg Species SHgOHCl -> HgOHCl\n DHGDT(IDHGOHCL) = RHGDE * SHGOHCL\nc IF (( DHgDT(IDHgOHCl).EQ.0.0).OR.(SHgOHCl.LE. 1.00D-30 ) )THEN\nc DTWHG(IDHgOHCl + NUMOX_v46 ) = DTRMV\nc ELSE\nc DTWHG(IDHgOHCl + NUMOX_v46 ) = .1* RHgdeI\nc END IF\n\nC Adsorption of Hg Species HgHY -> SHgHY\n DHGDT(ISHGHY) = RHGAD * HGHY\nc IF ((DHgDT(ISHgHY).EQ.0.0D+0 ) .OR. ( HgHY .LE. 1.00D-30 ) ) THEN\nc DTWHG(ISHgHY + NUMOX_v46 ) = DTRMV\nc ELSE\nc DTWHG(ISHgHY + NUMOX_v46 ) = .1* RHgadI\nc END IF\n\nC Desorption of Hg Species SHgHY -> HgHY\n DHGDT(IDHGHY) = RHGDE * SHGHY\nc IF ((DHgDT(IDHgHY) .EQ. 0.0 ).OR.( SHgHY .LE. 1.00D-30 ) ) THEN\nc DTWHG(IDHgHY + NUMOX_v46 ) = DTRMV\nc ELSE\nc DTWHG(IDHgHY + NUMOX_v46 ) = .1* RHgdeI\nc END IF\n\nC Adsorption of Hg Species HgII -> SHGII\n DHgDT(ISHgII) = RHgad * HgII\nc IF (( DHgDT(ISHgII).EQ.0.0 ) .OR. ( HgII .LE. 1.00D-30 ) ) THEN\nc DTWHG(ISHgII + NUMOX_v46 ) = DTRMV\nc ELSE\nc DTWHG(ISHgII + NUMOX_v46 ) = .1* RHgadI\nc END IF\n\nC Desorption of Hg Species SHgII -> HgII\n DHGDT(IDHGII) = RHGDE * SHGII\nc IF ((DHgDT(IDHgII) .EQ. 0.0 ).OR.( SHgII .LE. 1.00D-30 ) ) THEN\nc DTWHG(IDHgII + NUMOX_v46 ) = DTRMV\nc ELSE\nc DTWHG(IDHgII + NUMOX_v46 ) = .1* RHgdeI\nc END IF\n\nC Don't allow any aqeuous mercury species concentrations to become negative\n ! If the losses of HgII are greater than the produciton terms scale\n ! the losses to zero out the HgII concentration in the time step\n \n DTWHG_MIN = MINVAL(DTWHG)\n\n LOSS_HG_SPECIES = DHGDT(IHG_OX) + DHGDT(IOHRAD) + DHGDT(ICLI)\n IF ( HGL .LT. LOSS_HG_SPECIES * DTRMV ) THEN\n DHG_SCALE = HGL / ( LOSS_HG_SPECIES * DTRMV )\n DHGDT(IHG_OX) = DHGDT(IHG_OX) * DHG_SCALE \n DHGDT(IOHRAD) = DHGDT(IOHRAD) * DHG_SCALE \n DHGDT(ICLI) = DHGDT(ICLI) * DHG_SCALE \n END IF\n \n LOSS_HG_SPECIES = DHGDT(IHGSO3) + DHGDT(ISHGSO3)\n IF ( HGSO3 .LT. LOSS_HG_SPECIES * DTRMV ) THEN\n DHG_SCALE = HGSO3 / ( LOSS_HG_SPECIES * DTRMV )\n DHGDT(IHGSO3) = DHGDT(IHGSO3) * DHG_SCALE \n DHGDT(ISHGSO3) = DHGDT(ISHGSO3) * DHG_SCALE \n END IF\n \n LOSS_HG_SPECIES = DHGDT(IHGHY) + DHGDT(ISHGHY)\n IF ( HGHY .LT. LOSS_HG_SPECIES * DTRMV ) THEN\n DHG_SCALE = HGHY / ( LOSS_HG_SPECIES * DTRMV )\n DHGDT(IHGHY) = DHGDT(IHGHY) * DHG_SCALE \n DHGDT(ISHGHY) = DHGDT(ISHGHY) * DHG_SCALE \n END IF\n \n LOSS_HG_SPECIES = DHGDT(IORGC) + DHGDT(ISHGII)\n IF ( HGII .LT. LOSS_HG_SPECIES * DTRMV ) THEN\n DHG_SCALE = HGII / ( LOSS_HG_SPECIES * DTRMV )\n DHGDT(IORGC) = DHGDT(IORGC) * DHG_SCALE \n DHGDT(ISHGII) = DHGDT(ISHGII) * DHG_SCALE \n END IF\n\n LOSS_HG_SPECIES = DHGDT(IHGDISULF) + DHGDT(ISHGDISULF)\n IF ( HGDISULF .LT. LOSS_HG_SPECIES * DTRMV ) THEN\n DHG_SCALE = HGDISULF / ( LOSS_HG_SPECIES * DTRMV )\n DHGDT(IHGDISULF) = DHGDT(IHGDISULF) * DHG_SCALE \n DHGDT(ISHGDISULF) = DHGDT(ISHGDISULF) * DHG_SCALE \n END IF\n\n LOSS_HG_SPECIES = DHGDT(IHGOHP) + DHGDT(ISHGOHP)\n IF ( HGOHP .LT. LOSS_HG_SPECIES * DTRMV ) THEN\n DHG_SCALE = HGOHP / ( LOSS_HG_SPECIES * DTRMV )\n DHGDT(IHGOHP) = DHGDT(IHGOHP) * DHG_SCALE \n DHGDT(ISHGOHP) = DHGDT(ISHGOHP) * DHG_SCALE \n END IF\n\n LOSS_HG_SPECIES = DHGDT(IHGOHCL) + DHGDT(ISHGOHCL)\n IF ( HGOHCL .LT. LOSS_HG_SPECIES * DTRMV ) THEN\n DHG_SCALE = HGOHCL / ( LOSS_HG_SPECIES * DTRMV )\n DHGDT(IHGOHCL) = DHGDT(IHGOHCL) * DHG_SCALE \n DHGDT(ISHGOHCL) = DHGDT(ISHGOHCL) * DHG_SCALE \n END IF\n\n LOSS_HG_SPECIES = DHGDT(IHGCL2) + DHGDT(ISHGCL2)\n IF ( HGCL2L .LT. LOSS_HG_SPECIES * DTRMV ) THEN\n DHG_SCALE = HGCL2L / ( LOSS_HG_SPECIES * DTRMV )\n DHGDT(IHGCL2) = DHGDT(IHGCL2) * DHG_SCALE \n DHGDT(ISHGCL2) = DHGDT(ISHGCL2) * DHG_SCALE \n END IF\n \n DHGDT(IDHGSO3) = MIN( SHGSO3 / DTRMV, DHGDT(IDHGSO3) )\n DHGDT(IDHGHY) = MIN( SHGHY / DTRMV, DHGDT(IDHGHY) )\n DHGDT(IDHGII) = MIN( SHGII / DTRMV, DHGDT(IDHGII) )\n DHGDT(IDHGCL2) = MIN( SHGCL2 / DTRMV, DHGDT(IDHGCL2) )\n DHGDT(IDHGDISULF) = MIN( SHGDISULF / DTRMV, DHGDT(IDHGDISULF) )\n DHGDT(IDHGOHP) = MIN( SHGOHP / DTRMV, DHGDT(IDHGOHP) )\n DHGDT(IDHGOHCL) = MIN( SHGOHCL / DTRMV, DHGDT(IDHGOHCL) )\n \n DHGDT(ISHGCL2) = MIN( HGCL2L / DTRMV, DHGDT(ISHGCL2) )\n DHGDT(ISHGDISULF) = MIN( HGDISULF / DTRMV, DHGDT(ISHGDISULF) )\n DHGDT(ISHGOHP) = MIN( HGOHP / DTRMV, DHGDT(ISHGOHP) )\n DHGDT(ISHGOHCL) = MIN( HGOHCL / DTRMV, DHGDT(ISHGOHCL) )\n \n END SUBROUTINE MERCURY_RATES\n\n END MODULE HG_AQCHEM_DATA\n" }, { "path": "CCTM/src/cloud/acm_ae6_mp/rescld.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE RESCLD ( CGRID, JDATE, JTIME, TSTEP,\n & N_SPC_WDEP, WDEP_MAP, DEP, RESTRANS )\n\nC-----------------------------------------------------------------------\nC FUNCTION: Resolved-scale CLOUD processor Models-3 science process:\n \nC Revision History:\nC No Date Who What\nC -- -------- --- -----------------------------------------\nC 0 01/15/98 sjr created program\nC 1 03/09/98 sjr made several revisions: fix to read sub-hourly\nC rainfall data, reordered some of the code\nC 2 12/15/98 David Wong at LM\nC -- changed division of GPKG to multiplication of GPKG reciprocal\nC -- interchanged loops structure in line 317\nC 3 03/18/99 David Wong at LM\nC -- replace \"* M2PHA * ONE_OVER_GPKG\" by \"* M2PHA_OVER_GPKG\" which\nC is a new constant defined as M2PHA / GPKG\nC 4 08/30/99 sjr revised for new aerosol model (with 2nd moments)\nC 5 Dec 00 Jeff move CGRID_MAP into f90 module\nC 6 01/04/01 sjr added QS and QI to total water content calcul.\nC 7 Sep 01 Jeff Dyn Alloc - Use HGRD_DEFN\nC 8 12/18/03 sjr & jp added QG in the water content calc\nC 9 07 Dec 04 J.Young: Vert Dyn Alloc - Use VGRD_DEFN\nC 10 31 Jan 05 J.Young: dyn alloc - establish both horizontal & vertical\nC domain specifications in one module\nC 11 25 Mar 08 sjr fixed bug in the precipitation flux calculation:\nC layer thickness now included in column integrated\nC water content and in precipitation flux \nC calculations (bug reported by Raymond D Wright)\nC 12 12 Aug 10 J.Young: replace CGRID mechanism include files with\nC namelists and merge Shawn Roselle's, Sergey Napelenok's\nC and Steve Howard's aerosol reengineering\nC 13 01 Mar 11 S.Roselle: replaced I/O API include files with UTILIO_DEFN;\nC removed deprecated TRIMLEN\nC 14 11 May D.Wong: incorporated twoway model implementation\nC 15 01 Jul 11 G. Sarwar: calculate zenith angle to determine daytime and \nC nightime needed for sulfur oxidation via metal catalysis\nC 16 02Aug12 S.Roselle: instrumented to calculate and return\nC transmissivity for resolved clouds\nC 07 Nov 14 J.Bash: Updated call to czangle.F for the ASX_DATA_MOD shared data module. \nC 07 May 18 D. Schwede: Removed call to CZANGLE. COSZEN now calculated in ASX_DATA_MOD\nC 1 Feb 19 D. Wong: Implemented centralized I/O approach, removed all MY_N\nC clauses\nC 01 AUG 19 D.Wong: Modified code to work with two-way model\nC 11 Nov 19 F. Sidi: Changed MSTEP to accomdate Centralized I/O changes\nC Called by: CLDPROC\n \nC Calls the following subroutines: SCAVWDEP and AQ_MAP\nC-----------------------------------------------------------------------\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE CGRID_SPCS ! CGRID mechanism species\n USE UTILIO_DEFN\n USE AQ_DATA, ONLY: JH2O2_HYDROMETEORS, JHNO3_HYDROMETEORS \n USE HG_AQCHEM_DATA ! mercury chemistry parameters and constants\n USE ASX_DATA_MOD, ONLY: MET_DATA\n USE PHOT_MOD, ONLY: RJ, RJ_RES, RJ_SUB, LH2O2, LHNO3\n USE CENTRALIZED_IO_MODULE\n\n IMPLICIT NONE\n\nC...........Includes:\n\n INCLUDE SUBST_CONST ! constants\n INCLUDE SUBST_FILES_ID ! file name parameters\n\nC...........Arguments:\n REAL, POINTER :: CGRID( :,:,:,: ) ! concentrations\n INTEGER, INTENT( IN ) :: JDATE ! current model date, coded YYYYDDD\n INTEGER, INTENT( IN ) :: JTIME ! current model time, coded HHMMSS\n INTEGER, INTENT( IN ) :: TSTEP( 3 ) ! model time steps, coded HHMMSS\n INTEGER, INTENT( IN ) :: N_SPC_WDEP ! # of wet deposition species\n INTEGER, INTENT( IN ) :: WDEP_MAP( : ) ! wet deposition species map to CGRID\n REAL, INTENT( INOUT ) :: DEP( :,:,: ) ! wet deposition\n REAL, INTENT( OUT ) :: RESTRANS( :,: ) ! resolved cloud transmissivity\n\n CHARACTER( 120 ) :: XMSG = ' ' ! Exit status message\n\nC...........Parameters:\n REAL, PARAMETER :: MINPERSEC = 1.0 / 60.0\n REAL, PARAMETER :: GPKG = 1.0E+03 ! g/kg\n REAL, PARAMETER :: M2PHA = 1.0E+04 ! 1 hectare = 1.0e4 m**2\n REAL, PARAMETER :: M2PHA_OVER_GPKG = M2PHA / GPKG\n\nC Number of species in CGRID\n INTEGER, SAVE :: MXSPCS\n\n\nC...........Local Variables:\n\n LOGICAL, SAVE :: FIRSTIME = .TRUE. ! flag for first pass thru\n\n CHARACTER( 16 ), SAVE :: PNAME = 'RESCLD' ! process name\n CHARACTER( 16 ), SAVE :: VNAME_RN\n\n INTEGER COL ! column loop counter\n INTEGER ROW ! row loop counter\n INTEGER LAY ! layer loop counter\n INTEGER FINI ! ending position\n INTEGER MDATE ! process date (yyyyddd)\n INTEGER, SAVE :: MSTEP ! met file time step (hhmmss)\n INTEGER MTIME ! process time (hhmmss)\n INTEGER, SAVE :: SDATE ! met file start date\n INTEGER SPC ! liquid species loop counter\n INTEGER STRT ! starting position\n INTEGER, SAVE :: STIME ! met file start time\n INTEGER TCLD ! cloud lifetime (sec)\n INTEGER VAR ! variable loop counter\n INTEGER ALLOCSTAT ! memory allocation status\n\n REAL AIRM ! total airmass (mol/m2) in cloudy air\n REAL ALFA0 ! aitken mode number scavenging coef\n REAL ALFA2 ! aitken mode sfc area scavenging coef\n REAL ALFA3 ! aitken mode mass scavenging coef\n REAL CTHK1 ! cloud thickness (m)\n REAL METSTEP ! timestep on the met file (hr)\n SAVE METSTEP\n REAL PBARC ! mean cloud pressure (Pa)\n REAL PRATE1 ! storm rainfall rate (mm/hr)\n REAL QCRGCOL ! vert column integrated liquid water content\n REAL QCRISGCOL ! vert column integrated total water content\n REAL QRSGCOL ! vert column integrated precip content\n REAL QCICOL ! vert column integrated cloud content\n REAL RAIN ! non-conv rainfall rate (mm/hr)\n REAL REMOVAC ! variable storing H+ deposition\n REAL TAUCLD ! cloud lifetime (sec)\n REAL TBARC ! mean cloud temp (K)\n REAL WCBAR ! liq water content of cloud (kg/m3)\n REAL WPBAR ! precipitation water content (kg/m3)\n REAL WTBAR ! total water content of cloud (kg/m3)\n REAL LWP, CLOD\n\n REAL, ALLOCATABLE, SAVE :: POLC ( : ) ! incloud conc (mol/mol)\n REAL, ALLOCATABLE, SAVE :: CEND ( : ) ! ending conc (mol/mol)\n REAL, ALLOCATABLE, SAVE :: REMOV( : ) ! moles/m2 or mm*mol/lit scavenged\n\n REAL RN ( NCOLS, NROWS ) ! non-convective rainfall (cm)\n REAL DENS ( NCOLS, NROWS, NLAYS ) ! air density (kg/m3)\n REAL DZZ ( NCOLS, NROWS, NLAYS ) ! layer thickness (m)\n REAL PRES ( NCOLS, NROWS, NLAYS ) ! air pressure (Pa)\n REAL QC ( NCOLS, NROWS, NLAYS ) ! cloud water content (kg/kg)\n REAL QG ( NCOLS, NROWS, NLAYS ) ! graupel content (kg/kg)\n REAL QI ( NCOLS, NROWS, NLAYS ) ! ice content (kg/kg)\n REAL QR ( NCOLS, NROWS, NLAYS ) ! rain water content (kg/kg)\n REAL QS ( NCOLS, NROWS, NLAYS ) ! snow content (kg/kg)\n REAL TA ( NCOLS, NROWS, NLAYS ) ! air temperature (K)\n REAL ZF ( NCOLS, NROWS, NLAYS ) ! level/layer-face height (m)\n\nC Gridded meteorology data:\nC Latitude and longitude for zenith angle calculation: Golam Sarwar * July 1, 2011 \n REAL COSZ ! local cosine of zenith angle\n REAL JH2O2 ! H2O2 photolysis rate, 1/min \n REAL JHNO3 ! HNO3 photolysis rate, 1/min \n LOGICAL DARK ! DARK = TRUE is night, DARK = FALSE is day\n\nC...........External Functions:\n\n INTERFACE\n SUBROUTINE SCAVWDEP ( JDATE, JTIME, WTBAR, WCBAR, TBARC, PBARC,\n & CTHK1, AIRM, PRATE1, TAUCLD, POLC, CEND,\n & REMOV, REMOVAC, ALFA0, ALFA2, ALFA3 )\n INTEGER, INTENT( IN ) :: JDATE, JTIME\n REAL, INTENT( IN ) :: WTBAR, WCBAR, TBARC, PBARC,\n & CTHK1, AIRM, PRATE1, TAUCLD\n REAL, INTENT( IN ) :: POLC ( : )\n REAL, INTENT( OUT ) :: REMOVAC\n REAL, INTENT( OUT ) :: CEND( : ), REMOV( : )\n REAL, INTENT( OUT ) :: ALFA0, ALFA2, ALFA3\n END SUBROUTINE SCAVWDEP\n SUBROUTINE AQ_MAP( JDATE, JTIME, WTBAR, WCBAR, TBARC, PBARC,\n & CTHK1, AIRM, PRATE1, TAUCLD, POLC, CEND,\n & REMOV, REMOVAC, ALFA0, ALFA2, ALFA3, DARK )\n INTEGER, INTENT( IN ) :: JDATE, JTIME\n REAL, INTENT( IN ) :: WTBAR, WCBAR, TBARC, PBARC,\n & CTHK1, AIRM, PRATE1, TAUCLD\n REAL, INTENT( IN ) :: POLC ( : )\n REAL, INTENT( INOUT ) :: REMOVAC\n REAL, INTENT( INOUT ) :: CEND( : ), REMOV( : )\n REAL, INTENT( IN ) :: ALFA0, ALFA2, ALFA3\n LOGICAL, INTENT( IN ) :: DARK !Golam Sarwar, July 1, 2011\n END SUBROUTINE AQ_MAP\n END INTERFACE\nC-----------------------------------------------------------------------\n\nC...Initialization\n\n IF ( FIRSTIME ) THEN\n\n FIRSTIME = .FALSE.\n\n IF (RNA_AVAIL) THEN\n VNAME_RN = 'RNA'\n ELSE\n VNAME_RN = 'RN'\n END IF\n\nC...store met file time, date, and step information and compute\nC... the met timestep in hours\n\n SDATE = cio_model_sdate\n STIME = cio_model_stime\n MSTEP = file_tstep(f_met)\n\n METSTEP = FLOAT( TIME2SEC( MSTEP ) ) / 3600.0\n\n IF ( .not. QI_AVAIL ) THEN\n XMSG = 'Parameter QI (cloud ice) was not found on file '\n & // MET_CRO_3D\n CALL M3WARN ( PNAME, JDATE, JTIME, XMSG )\n WRITE( LOGDEV, '(3(/10X,A),(/10X,3(A,1X)),(/10X,A))' )\n & 'YOU SHOULD VERIFY that the cloud microphysics scheme used',\n & 'in the Meteorological Model did not include ice/snow. If',\n & 'it did, then you need to reprocess the meteorological data',\n & 'through MCIP and pass QI to file ',\n & TRIM( MET_CRO_3D ), ' to avoid',\n & 'errors in the wet deposition.'\n WRITE( LOGDEV, '((/5X,A),/)' )\n & 'Processing will continue with QI set to ZERO. <<---<<'\n END IF\n\n IF ( .not. QS_AVAIL ) THEN\n XMSG = 'Parameter QS (snow) was not found on file ' // MET_CRO_3D\n CALL M3WARN ( PNAME, JDATE, JTIME, XMSG )\n WRITE( LOGDEV, '(3(/10X,A),(/10X,3(A,1X)),(/10X,A))' )\n & 'YOU SHOULD VERIFY that the cloud microphysics scheme used',\n & 'in the Meteorological Model did not include ice/snow. If',\n & 'it did, then you need to reprocess the meteorological data',\n & 'through MCIP and pass QS to file ',\n & TRIM( MET_CRO_3D ), ' to avoid',\n & 'errors in the wet deposition.'\n WRITE( LOGDEV, '((/5X,A),/)' )\n & 'Processing will continue with QS set to ZERO. <<--<<'\n END IF\n\n MXSPCS = N_GC_SPCD + N_AE_SPC + N_NR_SPC + N_TR_SPC\n\n ALLOCATE ( CEND ( MXSPCS ),\n & POLC ( MXSPCS ),\n & REMOV( MXSPCS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating CEND, POLC or REMOV'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n END IF ! FIRSTIME\n\n MDATE = JDATE\n MTIME = JTIME\n\nC...set the cloud lifetime (=adv timestep)\n\n TCLD = TIME2SEC( TSTEP( 2 ) )\n TAUCLD = REAL( TCLD )\n\nC...set time to the midpoint of this timestep for data interpolation\n\n CALL NEXTIME ( MDATE, MTIME, SEC2TIME( TCLD / 2 ) )\n\nC...Actual Science Process (loop on internal process time steps):\nC... Interpolate time dependent layered input variables\nC... (reading those variables for which it is necessary)\n\nC... Get ambient temperature (K)\n\n call interpolate_var ('TA', mdate, mtime, TA)\n\nC...Get resolved cloud water mixing ratio (kg H2O / kg air)\n\n call interpolate_var ('QC', MDATE, MTIME, QC )\n\nC...Get resolved rain water mixing ratio (kg H2O / kg air)\n\n call interpolate_var ('QR', MDATE, MTIME, QR )\n\nC...read resolved ice mixing ratio (kg H2O / kg air) from the met\nC... file if it is available\n\n IF ( QI_AVAIL ) THEN\n\n call interpolate_var ('QI', MDATE, MTIME, QI )\n\n ELSE\n\n QI = 0.0 ! otherwise fill the array with zeros\n\n END IF\n\nC...read resolved snow mixing ratio (kg H2O / kg air) from the met\nC... file if it is available\n\n IF ( QS_AVAIL ) THEN\n\n call interpolate_var ('QS', MDATE, MTIME, QS )\n\n ELSE\n\n QS = 0.0 ! otherwise fill the array with zeros\n\n END IF\n\nC...read graupel mixing ratio (kg H2O / kg air) from the met\nC... file if it is available\n\n IF ( QG_AVAIL ) THEN\n\n call interpolate_var ('QG', MDATE, MTIME, QG )\n\n ELSE\n\n QG = 0.0 ! otherwise fill the array with zeros\n\n END IF\n\nC...Get level heights / layer faces (m)\n\n call interpolate_var ('ZF', MDATE, MTIME, ZF )\n\nC...Get pressure (Pa)\n\n call interpolate_var ('PRES', MDATE, MTIME, PRES )\n\nC...Get air density (kg/m3)\n\n call interpolate_var ('DENS', MDATE, MTIME, DENS )\n\nC...compute layer thicknesses (m)\n\n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n DZZ( COL, ROW, 1 ) = ZF( COL, ROW, 1 )\n DO LAY = 2, NLAYS\n DZZ( COL, ROW, LAY ) = ZF( COL, ROW, LAY )\n & - ZF( COL, ROW, LAY - 1 )\n END DO\n END DO\n END DO\n\nC...advance the MDATE and MTIME to the next time on the met file\nC... to get ready to read the precipitation amounts.\nC... Precipitation data WILL NOT BE INTERPOLATED! Precipitation data\nC... on the input file are amounts within the metfiles timestep.\n\n IF ( .NOT. CURRSTEP( JDATE, JTIME, SDATE, STIME, MSTEP,\n & MDATE, MTIME ) ) THEN\n XMSG = 'Cannot get step-starting date and time'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT3 )\n END IF\n\n CALL NEXTIME ( MDATE, MTIME, MSTEP ) ! set mdate:mtime to the hour\n\nC...Get nonconvective precipitation amount (cm)\n\n call interpolate_var (VNAME_RN, MDATE, MTIME, RN )\n\nC...Loop through all grid cells\n\n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n\nC...Convert the rainfall into a rainfall rate (mm/hr)\n\n RAIN = 10.0 * RN( COL, ROW ) / METSTEP\n\n IF ( RAIN .LT. 0.0 ) THEN\n XMSG = 'NEGATIVE RAIN...PROBABLE BAD MET DATA...'\n & // MET_CRO_2D\n CALL M3EXIT ( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n\nC...calculate the integrated column cloud+rain water content\nC... JP & SJR: treat graupel as rainwater until we have a more\nC... advanced cloud microphysics scheme\nC... include layer thickness in the column integration\n\n QCRGCOL = 0.0\n QCRISGCOL = 0.0\n QRSGCOL = 0.0\n QCICOL = 0.0\n DO LAY = 1, NLAYS\n QC( COL, ROW, LAY ) = MAX( QC( COL, ROW, LAY ), 0.0 )\n QR( COL, ROW, LAY ) = MAX( QR( COL, ROW, LAY ), 0.0 )\n QI( COL, ROW, LAY ) = MAX( QI( COL, ROW, LAY ), 0.0 )\n QS( COL, ROW, LAY ) = MAX( QS( COL, ROW, LAY ), 0.0 )\n QG( COL, ROW, LAY ) = MAX( QG( COL, ROW, LAY ), 0.0 )\n QCRGCOL = QCRGCOL + DENS( COL, ROW, LAY )\n & * DZZ( COL, ROW, LAY )\n & * ( QC( COL, ROW, LAY ) + QR( COL, ROW, LAY )\n & + QG( COL, ROW, LAY ) )\n QCRISGCOL = QCRISGCOL + DENS( COL, ROW, LAY )\n & * DZZ( COL, ROW, LAY )\n & * ( QC( COL, ROW, LAY ) + QR( COL, ROW, LAY )\n & + QI( COL, ROW, LAY ) + QS( COL, ROW, LAY )\n & + QG( COL, ROW, LAY ) )\n QRSGCOL = QRSGCOL + DENS( COL, ROW, LAY )\n & * DZZ( COL, ROW, LAY )\n & * ( QR( COL, ROW, LAY ) + QS( COL, ROW, LAY )\n & + QG( COL, ROW, LAY ) )\n QCICOL = QCICOL + DENS( COL, ROW, LAY )\n & * DZZ( COL, ROW, LAY )\n & * ( QC( COL, ROW, LAY ) + QI( COL, ROW, LAY ) )\n END DO\n\nC...Calculate the cloud optical depth using a formula derived from\nC... Stephens (1978), JAS(35), pp2111-2132.\nC... only calculate the cloud optical depth when the liquid water\nC... path is >= 10 g/m2\n\n LWP = QCICOL * 1000.0 ! converts to g/m2\n IF ( LWP .GE. 10.0 ) THEN\n CLOD = 10.0**( 0.2633 + 1.7095 * LOG( LOG10( LWP ) ) )\n ELSE\n CLOD = 0.0\n END IF\n\nC...If no cloud or optical depth < 5, set clear sky values.\nC... (i.e. don't do anything)\n\n IF ( CLOD .GE. 5.0 ) THEN\n\n RESTRANS( COL, ROW ) = ( 5.0 - EXP ( -CLOD ) ) / ( 4.0 + 0.42 * CLOD )\n \n END IF\n\nC...loop through layers\n\n IF ( QCRGCOL .GT. 0.0 ) THEN\n DO LAY = 1, NLAYS\n\nC...Compute cloud quantities\n\n IF ( ( QC( COL, ROW, LAY ) + QR( COL, ROW, LAY )\n & + QG( COL, ROW, LAY ) ) .GT. 0.00005 ) THEN\n\n TBARC = TA( COL, ROW, LAY )\n\n PBARC = PRES( COL, ROW, LAY )\n\n CTHK1 = DZZ( COL, ROW, LAY )\n\n AIRM = PBARC * CTHK1 * 1.0E3 / ( RDGAS * MWAIR * TBARC )\n\n WCBAR = ( QC( COL, ROW, LAY ) + QR( COL, ROW, LAY )\n & + QG( COL, ROW, LAY ) ) * DENS( COL, ROW, LAY )\n\n WTBAR = ( QC( COL, ROW, LAY ) + QR( COL, ROW, LAY )\n & + QI( COL, ROW, LAY ) + QS( COL, ROW, LAY ) \n & + QG( COL, ROW, LAY ) ) * DENS( COL, ROW, LAY )\n\nC...Compute precipitation flux\nC... include layer thickness in the calculation\n\n IF ( QRSGCOL .GT. 0.0 ) THEN\n WPBAR = ( QR( COL, ROW, LAY ) + QS( COL, ROW, LAY )\n & + QG( COL, ROW, LAY ) ) * DENS( COL, ROW, LAY )\n PRATE1 = RAIN * WPBAR * CTHK1 / QRSGCOL ! convert to mm/hr\n ELSE\n PRATE1 = RAIN * WTBAR * CTHK1 / QCRISGCOL ! convert to mm/hr\n END IF\n\nC...Finally, get in-cloud pollutant concentrations in moles sp\nC... per mole air\n\n DO SPC = 1, NSPCSD\n POLC ( SPC ) = CGRID( COL, ROW, LAY, SPC )\n CEND ( SPC ) = POLC( SPC )\n REMOV( SPC ) = 0.0\n END DO\n\nC...perform scavenging and aqueous chemistry within the cloud\nC... and re-adjust the ending and removed amounts for those species\nC... that were scavenged or that participated in cloud chemistry\n\n CALL SCAVWDEP ( JDATE, JTIME, WTBAR, WCBAR, TBARC,\n & PBARC, CTHK1, AIRM, PRATE1, TAUCLD,\n & POLC, CEND, REMOV, REMOVAC, ALFA0,\n & ALFA2, ALFA3 )\n\nC...if the liquid water content is above the specified threshold\nC... then perform the aqueous chemistry within the cloud and\nC... re-adjust the ending and removed amounts for those species\nC... that participated in cloud chemistry\n\n IF ( WCBAR .GT. 0.00001 ) THEN\n\n COSZ = MET_DATA%COSZEN( COL, ROW )\nC... update variables used in hg_aqchem_data modules\n COSINE_ZENITH = REAL(COSZ, 8)\n\n IF ( COSZ .LE. 0.0 ) THEN\n DARK = .TRUE. ! night\n JH2O2_HYDROMETEORS = 0.0D0\n JHNO3_HYDROMETEORS = 0.0D0\n ELSE\n DARK = .FALSE. ! day\n JH2O2 = RJ_RES( COL, ROW, LAY, LH2O2 )\n JHNO3 = RJ_RES( COL, ROW, LAY, LHNO3 )\n JH2O2_HYDROMETEORS = REAL( JH2O2 * MINPERSEC, 8 )\n JHNO3_HYDROMETEORS = REAL( JHNO3 * MINPERSEC, 8 )\n END IF\n\n CALL AQ_MAP ( JDATE, JTIME, WTBAR, WCBAR, TBARC,\n & PBARC, CTHK1, AIRM, PRATE1, TAUCLD,\n & POLC, CEND, REMOV, REMOVAC, ALFA0,\n & ALFA2, ALFA3, DARK )\n\n END IF\n\nC...convert from moles/m**2 to kg/m**2 and kg/m**2 to kg/hectare\n\nC... for gases\n\n SPC = 0\n STRT = GC_STRT\n FINI = GC_STRT - 1 + N_GC_SPC\n DO VAR = STRT, FINI\n SPC = SPC + 1\n REMOV( VAR ) = REMOV( VAR ) * GC_MOLWT( SPC )\n & * M2PHA_OVER_GPKG\n END DO\n\nC... for aerosols\n\n SPC = 0\n STRT = AE_STRT\n FINI = AE_STRT - 1 + N_AE_SPC\n DO VAR = STRT, FINI\n SPC = SPC + 1\n IF (( INDEX( AE_SPC( SPC ), 'NUM' ) .EQ. 0 ) .AND.\n & ( INDEX( AE_SPC( SPC ), 'SRF' ) .EQ. 0 )) THEN\n REMOV( VAR ) = REMOV( VAR ) * AE_MOLWT( SPC )\n & * M2PHA_OVER_GPKG\n ELSE\n REMOV( VAR ) = REMOV( VAR ) * M2PHA\n END IF\n END DO\n\nC... for non-reactives\n\n SPC = 0\n STRT = NR_STRT\n FINI = NR_STRT - 1 + N_NR_SPC\n DO VAR = STRT, FINI\n SPC = SPC + 1\n REMOV( VAR ) = REMOV( VAR ) * NR_MOLWT( SPC )\n & * M2PHA_OVER_GPKG\n END DO\n\nC... for tracers\n\n SPC = 0\n STRT = TR_STRT\n FINI = TR_STRT - 1 + N_TR_SPC\n DO VAR = STRT, FINI\n SPC = SPC + 1\n REMOV( VAR ) = REMOV( VAR ) * TR_MOLWT( SPC )\n & * M2PHA_OVER_GPKG\n END DO\n\nC...load deposition amounts into the DEP array\n\n DO VAR = 1, N_SPC_WDEP\n DEP( COL, ROW, VAR ) = DEP( COL, ROW, VAR )\n & + REMOV( WDEP_MAP( VAR ) )\n END DO\n\nC...load H+ concentration into the deposition array as well\n\n DEP( COL, ROW, N_SPC_WDEP+1 ) =\n & DEP( COL, ROW, N_SPC_WDEP+1 ) + REMOVAC\n\nC...set cgrid to the ending concentrations\n\n DO SPC = 1, NSPCSD\n IF ( SPC .NE. N_GC_SPCD ) THEN\n CGRID( COL, ROW, LAY, SPC ) = CEND( SPC )\n END IF\n END DO\n\n END IF\n END DO\n END IF\n\n END DO ! col\n END DO ! row\n\n RETURN\n\n END\n" }, { "path": "CCTM/src/cloud/acm_ae7_kmt2/AQ_DATA.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n Module aq_data\n\nC Defines gas and aerosol surrogate data.\nC this module replace the AQ_PARAMS.EXT include file\nC\nC Revision History:\nC First version was coded in May 2010 by Steve Howard with\nC Prakash Bhave, Jeff Young, and Sergey Napelenok.\nC Feb 2011: Steve Howard, Shawn Roselle, Prakash Bhave, Bill Hutzell -\nC Mar 2011: Sergey Napelenok - AE6 update for Ca/Mg/K/Fe/Mn \nC indexing, density, variable names\nC Mar 2011: Shawn Roselle, replaced I/O API include files with UTILIO_DEFN\nC Sep 2011: B.Hutzell: adapted for mercury and HAP mechanisms\nC Jun 2012: J.Young: remove full character blank padding for GNU Fortran (GCC) 4.1.2\nC Jul 2014: K.Fahey: Added IEPOX/MAE/HMML and associated aerosol species\nC Oct 2014: B.Hutzell:forcing to skip mapping if aerosol species\nC index equals the values for H3OP species as for aerosol water\nC species \nC Aug 2018: K.Fahey: Added gas/aero species for KMT2\nC-----------------------------------------------------------------------\n Use aero_data, Only: n_aerolist, n_aerospc, conmin\n\n Implicit None\n\n Integer, Parameter :: ngas = 29 ! number of gas-phase species for AQCHEM\n! Integer, Parameter :: naddaer = 7 ! number of additional aerosol surrogate species for AQCHEM\n Integer, Parameter :: naddaer = 2 ! number of additional aerosol surrogate species for AQCHEM\n Integer, Parameter :: nadd_tx = 6 ! number of surrogates for HAPS aerosol species for AQCHEM\n Integer, Parameter :: nadd_i = 6 ! number of surrogates for AEI aerosol species for AQCHEM\n\n Integer, Parameter :: max_naer = n_aerolist + naddaer + nadd_tx + nadd_i ! max number aero surrogates\n\n Integer, Save :: naer ! number of aerosol surrogate species for AQCHEM\n Integer, Parameter :: nliqs = 55 ! number of liquid-phase species in AQCHEM\n Integer, Parameter :: nmodes = 3 ! number of aerosol modes\n Integer, Parameter :: mxsrg = 70 ! maximum number of species for surrogate\n\n integer, parameter :: akn = 1 ! number for Aitken mode\n Integer, Parameter :: acc = 2 ! number for Accumulation mode\n Integer, Parameter :: cor = 3 ! number for Coarse mode\n\nCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC\nC...Gas surrogates species \nCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC\n\n Type sur_gas_type\n Character( 16 ) :: name ! surrogate name\n Real :: backgnd ! background value\n End Type sur_gas_type\n\n Type ( sur_gas_type ), Parameter :: srggas( ngas ) = (/\nC Name Background\nC ---------- ----------\n & sur_gas_type( 'SO2 ', 0.0 ),\n & sur_gas_type( 'HNO3 ', 0.0 ),\n & sur_gas_type( 'N2O5 ', 0.0 ),\n & sur_gas_type( 'CO2 ', 340.0 ),\n & sur_gas_type( 'NH3 ', 0.0 ),\n & sur_gas_type( 'H2O2 ', 0.0 ),\n & sur_gas_type( 'O3 ', 0.0 ),\n & sur_gas_type( 'FOA ', 0.0 ),\n & sur_gas_type( 'MHP ', 0.0 ),\n & sur_gas_type( 'PAA ', 0.0 ),\n & sur_gas_type( 'H2SO4 ', 0.0 ),\n & sur_gas_type( 'HCL ', 0.0 ),\n & sur_gas_type( 'GLY ', 0.0 ),\n & sur_gas_type( 'MGLY ', 0.0 ),\n & sur_gas_type( 'HO ', 0.0 ),\n & sur_gas_type( 'IEPOX ', 0.0 ),\n & sur_gas_type( 'IMAE ', 0.0 ),\n & sur_gas_type( 'IHMML ', 0.0 ),\n & sur_gas_type( 'HO2 ', 0.0 ),\n & sur_gas_type( 'NO2 ', 0.0 ),\n & sur_gas_type( 'HONO ', 0.0 ),\n & sur_gas_type( 'HNO4 ', 0.0 ),\n & sur_gas_type( 'GCOL ', 0.0 ),\n & sur_gas_type( 'CCOOH ', 0.0 ),\n & sur_gas_type( 'HCHO ', 0.0 ),\n & sur_gas_type( 'NO3RAD ', 0.0 ),\n & sur_gas_type( 'CH3O2 ', 0.0 ),\n & sur_gas_type( 'HCHOP ', 0.0 ), \n & sur_gas_type( 'PYRUV ', 0.0 ) / )\n\nC...Required gas species\n Character( 16 ), Parameter, Private :: req_so2 = 'SO2'\n Character( 16 ), Parameter, Private :: req_hno3 = 'HNO3'\n Character( 16 ), Parameter, Private :: req_n2o5 = 'N2O5'\n Character( 16 ), Parameter, Private :: req_co2 = 'CO2'\n Character( 16 ), Parameter, Private :: req_nh3 = 'NH3'\n Character( 16 ), Parameter, Private :: req_h2o2 = 'H2O2'\n Character( 16 ), Parameter, Private :: req_o3 = 'O3'\n Character( 16 ), Parameter, Private :: req_foa = 'FOA'\n Character( 16 ), Parameter, Private :: req_mhp = 'MHP'\n Character( 16 ), Parameter, Private :: req_paa = 'PAA'\n Character( 16 ), Parameter, Private :: req_h2so4 = 'H2SO4'\n Character( 16 ), Parameter, Private :: req_hcl = 'HCL'\n Character( 16 ), Parameter, Private :: req_gly = 'GLY'\n Character( 16 ), Parameter, Private :: req_mgly = 'MGLY'\n Character( 16 ), Parameter, Private :: req_ho = 'HO'\n Character( 16 ), Parameter, Private :: req_iepox = 'IEPOX'\n Character( 16 ), Parameter, Private :: req_imae = 'IMAE'\n Character( 16 ), Parameter, Private :: req_ihmml = 'IHMML'\n Character( 16 ), Parameter, Private :: req_ho2 = 'HO2'\n Character( 16 ), Parameter, Private :: req_no2 = 'NO2'\n Character( 16 ), Parameter, Private :: req_hono = 'HONO'\n Character( 16 ), Parameter, Private :: req_hno4 = 'HNO4' \n Character( 16 ), Parameter, Private :: req_gcol = 'GCOL'\n Character( 16 ), Parameter, Private :: req_ccooh = 'CCOOH'\n Character( 16 ), Parameter, Private :: req_hcho = 'HCHO'\n Character( 16 ), Parameter, Private :: req_no3rad = 'NO3RAD'\n Character( 16 ), Parameter, Private :: req_ch3o2 = 'CH3O2' \n Character( 16 ), Parameter, Private :: req_hchop = 'HCHOP'\n Character( 16 ), Parameter, Private :: req_pyruv = 'PYRUV' \n\nC...Pointers for the AQCHEM array GAS\n\n Integer :: lso2 ! Sulfur Dioxide\n Integer :: lhno3 ! Nitric Acid\n Integer :: ln2o5 ! Dinitrogen Pentoxide\n Integer :: lco2 ! Carbon Dioxide\n Integer :: lnh3 ! Ammonia\n Integer :: lh2o2 ! Hydrogen Peroxide\n Integer :: lo3 ! Ozone\n Integer :: lfoa ! Formic Acid\n Integer :: lmhp ! Methyl Hydrogen Peroxide\n Integer :: lpaa ! Peroxyacetic Acid\n Integer :: lh2so4 ! Sulfuric Acid\n Integer :: lhcl ! Hydrogen Chloride\n Integer :: lgly ! Glyoxal\n Integer :: lmgly ! Methylglyoxal\n Integer :: lho ! OH, hydroxyl radical\n Integer :: liepox ! Isoprene epoxydiols\n Integer :: limae ! Methacrylic acid epoxide \n Integer :: lihmml ! Hydroxymethyl-methyl-alpha-lactone\n Integer :: lho2 ! HO2\n Integer :: lno2 ! NO2\n Integer :: lhono ! HONO\n Integer :: lhno4 ! HNO4 \n Integer :: lgcol ! Glycolaldehyde\n Integer :: lccooh ! Acetic acid \n Integer :: lhcho ! Formaldehyde\n Integer :: lno3rad ! NO3\n Integer :: lch3o2 ! CH3O2 \n Integer :: lhchop ! Primary Formaldehyde \n Integer :: lpyruv ! Pyruvic Acid \n\nCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC\nC...Aerosol surrogates species \nCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC\n\n Type sur_aer_type\n Character( 16 ) :: name( nmodes ) ! surrogate name\n Real :: backgnd ! background value\n Real :: molwt ! molecular weight\n Real :: density ! density [kg m-3] \n End Type sur_aer_type\n\n Type ( sur_aer_type ), Allocatable, Save :: srgaer( : )\n\nC... Additional Aerosol surrogate species to add to aerosol list\n Type ( sur_aer_type ), private :: addsrgaer( naddaer ) = (/\nC Aitken Accum Coarse Background MolWt Density\nC ------------- ------------- ------------- ---------- ----- ------\n! & sur_aer_type((/' ', ' ', 'CACO3 '/), 0.0, 100.1, 2200.0),\n! & sur_aer_type((/' ', ' ', 'MGCO3 '/), 0.0, 84.3, 2200.0),\n! & sur_aer_type((/' ', ' ', 'A3FE '/), 0.0, 55.8, 2000.0),\n! & sur_aer_type((/' ', ' ', 'B2MN '/), 0.0, 54.9, 2000.0),\n! & sur_aer_type((/' ', ' ', 'K '/), 0.0, 39.1, 2200.0),\n & sur_aer_type((/'NUM_AITKEN ', 'NUM_ACCUM ', 'NUM_COARSE '/), 0.0, 0.0, 1.0),\n & sur_aer_type((/'SRF_AITKEN ', 'SRF_ACCUM ', 'SRF_COARSE '/), 0.0, 0.0, 1.0)/)\n\nC...TX and other species added to Aerosol surrogate if not found in AE namelist file \n Type ( sur_aer_type ), private :: srgaer_addtx( nadd_tx ) = (/\nC Aitken Accum Coarse Background MolWt Density\nC ------------- ------------- ------------- ---------- ----- ------\n & sur_aer_type((/'TRACER_AITKEN ', ' ', ' '/), 0.0, 100.0, 2200.0),\n & sur_aer_type((/' ', 'TRACER_ACCUM ', ' '/), 0.0, 100.0, 2200.0),\n & sur_aer_type((/' ', ' ', 'TRACER_COARSE '/), 0.0, 100.0, 2200.0),\n & sur_aer_type((/'PHG_AITKEN ', ' ', ' '/), 0.0, 200.5, 2200.0),\n & sur_aer_type((/' ', 'PHG_ACCUM ', ' '/), 0.0, 200.5, 2200.0),\n & sur_aer_type((/' ', ' ', 'PHG_COARSE '/), 0.0, 200.5, 2200.0)/)\n\n \nC...I species added to Aerosol surrogate if not found in AE namelist file \n Type ( sur_aer_type ), private :: srgaer_addi( nadd_i ) = (/\nC Aitken Accum Coarse Background MolWt Density\nC ------------- ------------- ------------- ---------- ----- ------\n & sur_aer_type((/' ', 'IETET_ACCUM ', ' '/), 0.0, 136.15, 1400.0),\n & sur_aer_type((/' ', 'IEOS_ACCUM ', ' '/), 0.0, 216.2, 1400.0),\n & sur_aer_type((/' ', 'IMGA_ACCUM ', ' '/), 0.0, 120.1, 1400.0),\n & sur_aer_type((/' ', 'IMOS_ACCUM ', ' '/), 0.0, 200.16, 1400.0),\n & sur_aer_type((/' ', 'DIMER_ACCUM ', ' '/), 0.0, 248.23, 1400.0),\n & sur_aer_type((/' ', 'ISO3_ACCUM ', ' '/), 0.0, 168.2, 1400.0)/) \n\nC...Required aerosol species\n Character( 16 ), Parameter, Private :: req_aso4 = 'SO4_ACCUM'\n Character( 16 ), Parameter, Private :: req_anh4 = 'NH4_ACCUM'\n Character( 16 ), Parameter, Private :: req_ano3 = 'NO3_ACCUM'\n Character( 16 ), Parameter, Private :: req_asoa = 'SOA_ACCUM'\n Character( 16 ), Parameter, Private :: req_aorgc = 'AORGC_ACCUM'\n Character( 16 ), Parameter, Private :: req_apoa = 'POA_ACCUM'\n Character( 16 ), Parameter, Private :: req_aec = 'EC_ACCUM'\n Character( 16 ), Parameter, Private :: req_apri = 'PRI_ACCUM'\n! Character( 16 ), Parameter, Private :: req_apric = 'PRI_COARSE' ! SLN 16March2011\n Character( 16 ), Parameter, Private :: req_ana = 'NA_ACCUM'\n Character( 16 ), Parameter, Private :: req_acl = 'CL_ACCUM'\n Character( 16 ), Parameter, Private :: req_acaco3 = 'CACO3'\n Character( 16 ), Parameter, Private :: req_amgco3 = 'MGCO3'\n Character( 16 ), Parameter, Private :: req_aa3fe = 'A3FE'\n Character( 16 ), Parameter, Private :: req_ab2mn = 'B2MN'\n Character( 16 ), Parameter, Private :: req_ak = 'K'\n Character( 16 ), Parameter, Private :: req_num = 'NUM_ACCUM'\n Character( 16 ), Parameter, Private :: req_srf = 'SRF_ACCUM'\n\n Character( 16 ), Parameter, Private :: req_caacc = 'CA_ACCUM' ! SLN 16March2011\n Character( 16 ), Parameter, Private :: req_mgacc = 'MG_ACCUM' ! SLN 16March2011\n Character( 16 ), Parameter, Private :: req_kacc = 'K_ACCUM' ! SLN 16March2011\n Character( 16 ), Parameter, Private :: req_feacc = 'FE_ACCUM' ! SLN 22March2011\n Character( 16 ), Parameter, Private :: req_mnacc = 'MN_ACCUM' ! SLN 22March2011\n Character( 16 ), Parameter, Private :: req_soilc = 'SOIL_COARSE' ! SLN 16March2011\n Character( 16 ), Parameter, Private :: req_anthc = 'ANTH_COARSE' ! SLN 16March2011\n Character( 16 ), Parameter, Private :: req_seasc = 'SEAS_COARSE' ! SLN 16March2011\n \n Character( 16 ), Parameter, Private :: req_aietet = 'IETET_ACCUM' \n Character( 16 ), Parameter, Private :: req_aieos = 'IEOS_ACCUM'\n Character( 16 ), Parameter, Private :: req_adimer = 'DIMER_ACCUM'\n Character( 16 ), Parameter, Private :: req_aimga = 'IMGA_ACCUM'\n Character( 16 ), Parameter, Private :: req_aimos = 'IMOS_ACCUM'\n \n Character( 16 ), Parameter, Private :: req_aiso3 = 'ISO3_ACCUM'\n \nC...For TX version \n Character( 16 ), Parameter, Private :: req_traceri = 'TRACER_AITKEN'\n Character( 16 ), Parameter, Private :: req_tracerj = 'TRACER_ACCUM'\n Character( 16 ), Parameter, Private :: req_tracerk = 'TRACER_COARSE'\n Character( 16 ), Parameter, Private :: req_phgi = 'PHG_AITKEN'\n Character( 16 ), Parameter, Private :: req_phgj = 'PHG_ACCUM'\n Character( 16 ), Parameter, Private :: req_phgk = 'PHG_COARSE'\n\n\nC...Pointers for the AQCHEM array AEROSOL\n Integer :: lso4 ! Sulfate\n Integer :: lnh4 ! Ammonium\n Integer :: lno3 ! Nitrate\n Integer :: lsoa ! SOA\n Integer :: lorgc ! SOA (anthropogenic organic oligomers)\n Integer :: lpoa ! Primary organic aerosol\n Integer :: lec ! Elemental carbon\n Integer :: lpri ! Primary aerosol (Aitken and Accumulation)\n! Integer :: lpricor ! Primary aerosol (coarse)\n Integer :: lna ! Sodium\n Integer :: lcl ! Chloride ion\n! Integer :: lcaco3 ! Calcium Carbonate aerosol (place holder)\n! Integer :: lmgco3 ! Magnesium Carbonate aerosol (place holder)\n! Integer :: la3fe ! Iron aerosol (place holder)\n! Integer :: lb2mn ! Manganese aerosol (place holder)\n! Integer :: lk ! Potassium aerosol (Cl- tracked separately) (place holder)\n Integer :: lnum ! Number\n Integer :: lsrf ! Surface area\n \nC...TXHG aersosols \n Integer :: ltracer_akn ! Tracer aerosols (Aitken)\n Integer :: ltracer_acc ! Tracer aerosols (Accumulation)\n Integer :: ltracer_cor ! Tracer aerosols (Coarse)\n Integer :: lphg_akn ! Mercuric aerosols (Aitken and Accumulation)\n Integer :: lphg_acc ! Mercuric aerosols (Aitken and Accumulation)\n Integer :: lphg_cor ! Mercuric aerosols (Coarse)\n\n Integer :: lcaacc ! Ca in Accumulation mode (AE6) SLN 16March2011\n Integer :: lmgacc ! Mg in Accumulation mode (AE6) SLN 16March2011\n Integer :: lkacc ! K in Accumulation mode (AE6) SLN 16March2011\n Integer :: lfeacc ! Fe in Accumulation mode (AE6) SLN 22March2011\n Integer :: lmnacc ! Mn in Accumulation mode (AE6) SLN 22March2011\n Integer :: lsoilc ! SOIL in Coarse mode (AE6) SLN 16March2011\n Integer :: lanthc ! CORS in Coarse mode (AE6) SLN 16March2011\n Integer :: lseasc ! SEAS in Coarse mode (AE6) SLN 16March2011\n \n Integer :: lietet ! 2-Methyltetrols\n Integer :: lieos ! IEPOX-derived orgranosulfates\n Integer :: ldimer ! Dimers\n Integer :: limga ! 2-Methylglyceric acid\n Integer :: limos ! MAE/HMML-derived-organosulfates \n \n Integer :: liso3 ! AISO3 \n\nC...Pointers for the AQCHEM arrays LIQUID and WETDEP\n Integer, Parameter :: lacl = 01 ! Hydrogen ion\n Integer, Parameter :: lnh4accl = 02 ! Ammonium(attributed to accum. mode)\n Integer, Parameter :: lcacorl = 03 ! coarse mode Calcium \n Integer, Parameter :: lnaaccl = 04 ! Sodium\n Integer, Parameter :: lohl = 05 ! Hydroxyl radical\n Integer, Parameter :: lso4accl = 06 ! Sulfate (attributed to accumulation mode)\n Integer, Parameter :: lhso4accl = 07 ! bisulfate (attributed to accumulation mode)\n Integer, Parameter :: lso3l = 08 ! sulfite\n Integer, Parameter :: lhso3l = 09 ! bisulfite\n Integer, Parameter :: lso2l = 10 ! sulfur dioxide\n Integer, Parameter :: lco3l = 11 ! carbonate\n Integer, Parameter :: lhco3l = 12 ! bicarbonate\n Integer, Parameter :: lco2l = 13 ! carbon dioxide\n Integer, Parameter :: lno3accl = 14 ! nitrate(attributed to accumulation mode)\n Integer, Parameter :: lnh3l = 15 ! ammonia\n Integer, Parameter :: lclaccl = 16 ! chloride ion (attributed to accumulation mode)\n Integer, Parameter :: lh2o2l = 17 ! hydrogen peroxide\n Integer, Parameter :: lo3l = 18 ! ozone\n Integer, Parameter :: lfecorl = 19 ! iron\n Integer, Parameter :: lmncorl = 20 ! Manganese\n Integer, Parameter :: lal = 21 ! generalized anion associated with iron\n Integer, Parameter :: lfoal = 22 ! Formic acid\n Integer, Parameter :: lhco2l = 23 ! HCOO- ion\n Integer, Parameter :: lmhpl = 24 ! Methyl hydrogen peroxide\n Integer, Parameter :: lpaal = 25 ! Peroxyacidic acid\n Integer, Parameter :: lhcll = 26 ! Hydrogen chloride\n Integer, Parameter :: lpriml = 27 ! primary aerosol\n Integer, Parameter :: lmgcorl = 28 ! coarse mode Magnesium\n Integer, Parameter :: lkcorl = 29 ! coarse mode Potassium\n Integer, Parameter :: lbl = 30 ! generalized anion associated with manganese\n Integer, Parameter :: lhno3l = 31 ! nitric acid\n! Integer, Parameter :: lprimcorl = 32 ! coarse-mode primary aerosol\n Integer, Parameter :: lnumcorl = 32 ! coarse-mode number\n Integer, Parameter :: lts6corl = 33 ! sulfate (attributed to coarse mode)\n Integer, Parameter :: lnacorl = 34 ! sodium (attributed to coarse mode)\n Integer, Parameter :: lclcorl = 35 ! chloride ion (attributed to coarse mode)\n Integer, Parameter :: lno3corl = 36 ! nitrate (attributed to coarse mode)\n Integer, Parameter :: lnh4corl = 37 ! ammonium (attributed to coarse mode)\n Integer, Parameter :: lsoal = 38 ! secondary organic aerosols\n Integer, Parameter :: lorgcl = 39 ! in-cloud soa\n integer, parameter :: lpoal = 40 ! primary organic aerosols\n Integer, Parameter :: lecl = 41 ! elemental carbon\n Integer, Parameter :: lglyl = 42 ! glyoxal\n Integer, Parameter :: lmglyl = 43 ! methylglyoxal\n Integer, Parameter :: lcaaccl = 44 ! accumulation mode Calcium (AE6) SLN 16March2011\n Integer, Parameter :: lmgaccl = 45 ! accumulation mode Magnesium (AE6) SLN 16March2011\n Integer, Parameter :: lkaccl = 46 ! accumulation mode Potassium (AE6) SLN 16March2011\n Integer, Parameter :: lsoilcl = 47 ! coarse mode SOIL (AE6) SLN 16March2011\n Integer, Parameter :: lanthcl = 48 ! coarse mode CORS (lol) (AE6) SLN 16March2011\n Integer, Parameter :: lseascl = 49 ! coarse mode SEAS (AE6) SLN 16March2011\n Integer, Parameter :: lfeaccl = 50 ! accumulation mode Iron (AE6) SLN 22March2011\n Integer, Parameter :: lmnaccl = 51 ! accumulation mode Manganese (AE6) SLN 22March2011\nC for TX version\n integer, parameter :: ltracerl = 52 ! TRACER\n integer, parameter :: ltracercorl = 53 ! Coarse-mode TRACER\n integer, parameter :: lphgfinel = 54 ! Fine-mode Mercury Tracer\n integer, parameter :: lphgcorl = 55 ! Coarse-mode Mercury Tracer\n\n\n Integer :: nsrggas( ngas ) ! # surrogates in CGRID for each gas\n Integer :: lsrggas( ngas,mxsrg )\n\n Integer, Allocatable, Save :: nsrgaer( :,: ) ! # surrogates in CGRID for each aerosol\n Integer, Allocatable, Save :: lsrgaer( :,:,: )\n Integer, Allocatable, Save :: aknsrg( :,: )\n\n Integer, Allocatable, Save :: cgrid2aq_map( : ) ! allocated in AQ_DATA_INIT\n Character( 16 ), Allocatable, Save :: cgrid2aq_name( : ) ! allocated in AQ_DATA_INIT\n \n Real( 8 ) :: jh2o2_hydrometeors ! H2O2 photolysis rate in condensed water [sec-1]\n Real( 8 ) :: jhno3_hydrometeors ! HNO3 photolysis rate in condensed water [sec-1]\n\n Logical, Private, Save :: mapped = .False.\n\n Contains\n \nC------------------------------------------------------------------------\n Subroutine aq_data_init()\n\nC Defines mapping from CGRID for species concentration and moments.\n \nC Revision History:\nC First version was coded in May 2010 by Steve Howard with\nC Prakash Bhave, Jeff Young, and Sergey Napelenok.\nC Jan 2017: Additional error check added to avoid array out of\nC bounds when additional aerosol species are added. HOT Pye.\nC-----------------------------------------------------------------------\n\n Use cgrid_spcs ! CGRID mechanism species\n Use utilio_defn\n Use aero_data\n Use phot_mod, Only: init_phot_shared ! set-up shared photolysis arrays\n\n Implicit None\n\nC Functions:\n Integer, External :: indexn\n\nC Local Variables:\n Character( 100 ) :: xmsg\n Character( 16 ), Allocatable, Save :: aename( : )\n Character( 16 ), Allocatable, Save :: cgrid2aq( : )\n Character( 10 ) :: bkground\n Integer :: igas\n Integer :: iaer\n Integer :: isrg\n Integer :: spc\n Integer :: mode\n Integer :: i\n Integer :: n\n Integer :: var\n Logical :: new, Jexist\n Integer :: lsrg( mxsrg )\n Integer :: n_cgrid2aq\n Integer :: ios\nC Local Variable used to determine what optional TX to add to surrogates\n !Logical :: found_all_modes\n !Integer :: n_missing_tx\n !Integer :: n_which_txadd( nadd_tx )\n CHARACTER(16) :: NAMEI, NAMEJ\n INTEGER LS2, LS1, LS3, LS4, ISRG2, ISRGI, IAERI, SPCI\n\n Logical, Save :: Firstcall = .True.\n \nC-----------------------------------------------------------------------\n\n\n If ( Firstcall ) Then\n Firstcall = .False.\n Else\n Return\n End if\n \n Call init_phot_shared()\n \n Allocate ( aename( n_ae_a2aq ), stat = ios )\n If ( ios .Ne. 0 ) Then\n xmsg = '*** Error allocating aename'\n Call m3exit( 'aq_data_init', 0, 0, xmsg, xstat3 )\n End If\n\nC...Build array of AE names that are mapped to AE_A2AQ\n Do spc = 1, n_ae_a2aq\n aename( spc ) = ae_spc( ae_a2aq_map( spc ) )\n End Do\n\nC...Set number of species in CGRID and used in Aqueous module\n n_cgrid2aq = n_gc_g2aq + n_ae_a2aq + n_nr_n2aq + n_tr_t2aq\n\n! Allocate ( cgrid2aq( n_cgrid2aq ),\n! & cgrid2aq_map( n_cgrid2aq ), stat = ios )\n! If ( ios .Ne. 0 ) Then\n! xmsg = '*** Error allocating cgrid2aq or cgrid2aq_map'\n! Call m3exit( 'aq_data_init', 0, 0, xmsg, xstat3 )\n! End If\n\n Allocate ( cgrid2aq( n_cgrid2aq ), stat = ios )\n If ( ios .Ne. 0 ) Then\n xmsg = '*** Error allocating cgrid2aq'\n Call m3exit( 'aq_data_init', 0, 0, xmsg, xstat3 )\n End If\n\n Allocate ( cgrid2aq_map( n_cgrid2aq ), stat = ios )\n If ( ios .Ne. 0 ) Then\n xmsg = '*** Error allocating cgrid2aq_map'\n Call m3exit( 'aq_data_init', 0, 0, xmsg, xstat3 )\n End If\n\n Allocate ( cgrid2aq_name( n_cgrid2aq ), stat = ios )\n If ( ios .Ne. 0 ) Then\n xmsg = '*** Error allocating cgrid2aq_name'\n Call m3exit( 'aq_data_init', 0, 0, xmsg, xstat3 )\n End If\n\nC...Map aero species\n Call map_aero()\n\n naer = n_aerospc + naddaer + nadd_tx + nadd_i\n\n Allocate ( srgaer( naer ), stat = ios )\n If ( ios .Ne. 0 ) Then\n xmsg = '*** Error allocating srgaer'\n Call m3exit( 'aq_data_init', 0, 0, xmsg, xstat3 )\n End If\n\n Allocate ( nsrgaer( naer,nmodes ), stat = ios )\n If ( ios .Ne. 0 ) Then\n xmsg = '*** Error allocating nsrgaer'\n Call m3exit( 'aq_data_init', 0, 0, xmsg, xstat3 )\n End If\n\n Allocate ( lsrgaer( naer,nmodes,mxsrg ), stat = ios )\n If ( ios .Ne. 0 ) Then\n xmsg = '*** Error allocating lsrgaer'\n Call m3exit( 'aq_data_init', 0, 0, xmsg, xstat3 )\n End If\n \n Allocate ( aknsrg( naer,mxsrg ), stat = ios )\n If ( ios .Ne. 0 ) Then\n xmsg = '*** Error allocating aknsrg'\n Call m3exit( 'aq_data_init', 0, 0, xmsg, xstat3 )\n End If\n\nC...Populate optional aerosol surrogate species (e.g.\nC TRACER_AITKEN, TRACER_ACCUM, TRACER_COARSE, \nC PHG_AITKEN, PHG_ACCUM, PHG_COARSE )\n \n Do spc = 1, nadd_tx\n srgaer( spc ) = srgaer_addtx( spc )\n End Do\n \n Do var = 1, nadd_i\n spc = nadd_tx + var\n srgaer( spc ) = srgaer_addi( spc-nadd_tx )\n End Do \n\nC...Initialize aerosol surrogate species from AERO_DATA table \n Do var = 1, n_aerospc\n\n spc = nadd_tx + nadd_i + var\n srgaer( spc ) = sur_aer_type( (/' ',' ',' '/), 0.0, 0.0, 0.0 )\n\n ! Skip H2O, H2OP, and SOIL species\n If ( var .Eq. ah2o_idx .Or. var .Eq. ah3op_idx ) Then\n write(xmsg,'(4(A,1x))')'Skipping AQ surrogate for AEROSPC ',\n & aerospc( spc-nadd_tx-nadd_i )%name( 1:n_mode )\n Call m3warn( 'aq_data_init', 0, 0, xmsg )\n Cycle\n End if\n\n Do mode = 1, n_mode\n\n n = index1( aerospc( var )%name( mode ), n_ae_a2aq, aename )\n If ( n .Gt. 0 ) Then\n\n ! Verify that surrogate is new\n new = .True. \n Do i = 1, spc\n If ( ae_a2aq( n ) .Eq. srgaer( i )%name( mode ) ) Then\n new = .False.; Exit\n End If\n\t\t \n\t\t Jexist = .false. ! Does J mode exist for a new I mode species?\t \n\t\t If ( mode .eq. 1) then\n\t\t spci = spc\n\t\t ls1 = len_trim(ae_a2aq(n))\n\t\t ls2 = len_trim(srgaer(i)%name(2))\n\t\t namei = ae_a2aq(n)\n\t\t namei = namei(1:ls1-7) ! Remove \"_AITKEN\" to get base name for I mode\n\t\t namej = srgaer(i)%name(2)\n\t\t namej = namej(1:ls2-6) ! Remove \"_ACCUM\" to get base name for J mode\n\t\t If (trim(namei) .eq. trim(namej)) then\n\t\t spci = i\n\t\t Jexist = .true.; Exit\n\t\t End If\n\t\t End If\t \n\t\t \n End Do\t \n\t \n\t If ( new ) Then\n\t \n\t\t If (Jexist) then \n\t srgaer( spci )%name( mode ) = ae_a2aq( n )\n srgaer( spci )%density = aerospc( var )%density\n srgaer( spci )%molwt = aerospc_mw( var )\n\t\t Else\n srgaer( spc )%name( mode ) = ae_a2aq( n )\n srgaer( spc )%density = aerospc( var )%density\n srgaer( spc )%molwt = aerospc_mw( var ) \n\t\t End If\n\n End If\n End If\n\n End Do ! mode\n\n End Do ! spc\n\nC...Initialize aerosol moment surrogates (i.e.\nC NUM_AITKEN, NUM_ACCUM, NUM_COARSE,\nC SRF_AITKEB, SRF_ACCUM, SRF_COARSE )\n Do n = 1, naddaer\n spc = n_aerospc + nadd_tx + nadd_i + n\n srgaer( spc ) = addsrgaer( n )\n End Do\n \n\n#ifdef verbose_cloud\nC...write out SRGGAS and SRGAER to verify\n Write( logdev, 1005 )ngas\n Do spc = 1, ngas\n Write( logdev,1007 ) srggas( spc )%name, srggas( spc )%backgnd\n End Do\n Write( logdev,1009 ) naer\n Do spc = 1, naer\n Write( logdev,1111 ) srgaer( spc )%name, srgaer( spc )%density,\n & srgaer( spc )%molwt, srgaer( spc )%backgnd\n End Do\n#endif \n\nC...Prepare indices for aqueous species\n\nC...CGRID map to aqueous species pointers for the gases\n spc = 0\n Do var = 1, n_gc_g2aq\n spc = spc + 1\n cgrid2aq( spc ) = gc_g2aq( var )\n cgrid2aq_map( spc ) = gc_g2aq_map( var ) + gc_strt - 1\n cgrid2aq_name( spc ) = gc_spc( gc_g2aq_map( var ) )\n End Do\n\nC...CGRID map to aqueous species pointers for the aerosols\n Do var = 1, n_ae_a2aq\n spc = spc + 1\n cgrid2aq( spc ) = ae_a2aq( var )\n cgrid2aq_map( spc ) = ae_a2aq_map( var ) + ae_strt - 1\n cgrid2aq_name( spc ) = ae_spc( ae_a2aq_map( var ) )\n End Do\n\nC...CGRID map to aqueous species pointers for the non-reactives\n Do var = 1, n_nr_n2aq\n spc = spc + 1\n cgrid2aq( spc ) = nr_n2aq( var )\n cgrid2aq_map( spc ) = nr_n2aq_map( var ) + nr_strt - 1\n cgrid2aq_name( spc ) = nr_spc( nr_n2aq_map( var ) )\n End Do\n\nC...CGRID map to aqueous species pointers for the tracers\n Do var = 1, n_tr_t2aq\n spc = spc + 1\n cgrid2aq( spc ) = tr_t2aq( var )\n cgrid2aq_map( spc ) = tr_t2aq_map( var ) + tr_strt - 1\n cgrid2aq_name( spc ) = tr_spc( tr_t2aq_map( var ) )\n End Do\n\n write(logdev, 1114)\nC...Create the pointers from CGRID to the gaseous species needed by AQCHEM\n nsrggas = 0\n aknsrg = 0\n Do igas = 1, ngas\n nsrggas( igas ) = indexn( srggas( igas )%name, n_cgrid2aq, cgrid2aq, lsrg )\n If ( nsrggas( igas ) .Eq. 0 ) Then\n Write ( bkground, '(F8.4)' ) srggas( igas )%backgnd\n xmsg = trim( srggas( igas )%name )\n & // ' is not in GC or NR namelist so using background value of '\n & // trim( bkground )\n Call m3mesg( xmsg )\n Else\n Do isrg = 1, nsrggas( igas )\n lsrggas( igas,isrg ) = lsrg( isrg )\n#ifdef verbose_cloud\n write( logdev,1113 ) cgrid2aq_name( lsrggas( igas,isrg ) ),\n & cgrid2aq_map( lsrggas( igas,isrg ) ), srggas( igas )%name,\n & igas,lsrggas( igas,isrg )\n#endif \n End Do\n End If\n End Do\n\nC...Create the pointers from CGRID to the aerosol species needed by AQCHEM\n nsrgaer = 0\n write(logdev, 1114)\n Do iaer = 1, naer\n Do n = 1, nmodes\n If ( srgaer( iaer )%name( n ) .Ne. ' ' ) Then\n nsrgaer( iaer,n ) = indexn( srgaer( iaer )%name( n ), n_cgrid2aq,\n & cgrid2aq, lsrg )\n If ( nsrgaer( iaer,n ) .Eq. 0 ) Then\n Write ( bkground, '(f8.4)' ) srgaer( iaer )%backgnd\n xmsg = trim( srgaer( iaer )%name( n ) )\n & // ' is not in AE namelist so using background value of '\n & // trim( bkground )\n Call m3mesg( xmsg )\n Else\n Do isrg = 1, nsrgaer( iaer,n )\n If ( isrg .Gt. mxsrg ) Then\n xmsg = 'lsrg will index out of bounds. Increase mxsrg in AQ_DATA.F'\n Call m3exit( 'AQ_DATA', 0, 0, xmsg, xstat3 )\n End If\n lsrgaer( iaer,n,isrg ) = lsrg( isrg )\n#ifdef verbose_cloud\n write( logdev,1113 ) cgrid2aq_name( lsrgaer( iaer,n,isrg ) ),\n & cgrid2aq_map( lsrgaer( iaer,n,isrg ) ), srgaer( iaer )%name( n ),\n & iaer, lsrgaer( iaer,n,isrg )\n#endif \n End Do\n End If\n End If\n End Do\n End Do\n\nC...Create the pointers for required gas surrogate species needed by AQCHEM\n lso2 = findSgrGas( req_so2 ) ! Sulfur Dioxide\n lhno3 = findSgrGas( req_hno3 ) ! Nitric Acid\n ln2o5 = findSgrGas( req_n2o5 ) ! Dinitrogen Pentoxide\n lco2 = findSgrGas( req_co2 ) ! Carbon Dioxide\n lnh3 = findSgrGas( req_nh3 ) ! Ammonia\n lh2o2 = findSgrGas( req_h2o2 ) ! Hydrogen Perioxide\n lo3 = findSgrGas( req_o3 ) ! Ozone\n lfoa = findSgrGas( req_foa ) ! Formic Acid\n lmhp = findSgrGas( req_mhp ) ! Methyl Hydrogen Peroxide\n lpaa = findSgrGas( req_paa ) ! Peroxyacidic Acid\n lh2so4 = findSgrGas( req_h2so4 ) ! Sulfuric Acid\n lhcl = findSgrGas( req_hcl ) ! Hydrogen Chloride\n lgly = findSgrGas( req_gly ) ! Glyoxal\n lmgly = findSgrGas( req_mgly ) ! Methylglyoxal\n lho = findSgrGas( req_ho ) ! OH, hydroxyl radical\n liepox = findSgrGas( req_iepox ) ! Isoprene epoxydiols \n limae = findSgrGas( req_imae ) ! Methacrylic acid epoxide \n lihmml = findSgrGas( req_ihmml ) ! Hydroxymethyl-methyl-alpha-lactone \n lho2 = findSgrGas( req_ho2 ) ! HO2\n lno2 = findSgrGas( req_no2 ) ! NO2\n lhono = findSgrGas( req_hono ) ! HONO\n lhno4 = findSgrGas( req_hno4 ) ! HNO4 \n lgcol = findSgrGas( req_gcol ) ! Glycolaldehyde \n lccooh = findSgrGas( req_ccooh ) ! Acetic acid \n lhcho = findSgrGas( req_hcho ) ! Formaldehyde\n lno3rad = findSgrGas( req_no3rad ) ! NO3\n lch3o2 = findSgrGas( req_ch3o2 ) ! CH3O2 \n lhchop = findSgrGas( req_hchop ) ! Primary formaldehyde\n lpyruv = findSgrGas( req_pyruv ) ! Pyruvic acid\n \nC...Create the pointers for required aerosol surrogate species needed by AQCHEM\n lso4 = findSgrAer( req_aso4 ) ! Sulfate\n lnh4 = findSgrAer( req_anh4 ) ! Ammonium\n lno3 = findSgrAer( req_ano3 ) ! Nitrate\n lsoa = findSgrAer( req_asoa ) ! SOA\n lorgc = findSgrAer( req_aorgc ) ! SOA (anthropogenic organic oligomers)\n lpoa = findSgrAer( req_apoa ) ! Primary organic aerosol\n lec = findSgrAer( req_aec ) ! Elemental carbon\n lpri = findSgrAer( req_apri ) ! Primary aerosol (Aitken and Accumulation)\n! lpricor= findSgrAer( req_apric ) ! Primary aerosol (coarse)\n lna = findSgrAer( req_ana ) ! Sodium\n lcl = findSgrAer( req_acl ) ! Chloride ion\n! lcaco3 = findSgrAer( req_acaco3 ) ! Calcium Carbonate aerosol (place holder)\n! lmgco3 = findSgrAer( req_amgco3 ) ! Magnesium Carbonate aerosol (place holder)\n! la3fe = findSgrAer( req_aa3fe ) ! Iron aerosol (place holder)\n! lb2mn = findSgrAer( req_ab2mn ) ! Manganese aerosol (place holder)\n! lk = findSgrAer( req_ak ) ! Potassium aerosol (Cl- tracked separately)\n lnum = findSgrAer( req_num ) ! Number\n lsrf = findSgrAer( req_srf ) ! Surface area\n lcaacc = findSgrAer( req_caacc ) ! Ca in Accumulation mode (AE6) SLN 16March2011\n lmgacc = findSgrAer( req_mgacc ) ! Mg in Accumulation mode (AE6) SLN 16March2011\n lkacc = findSgrAer( req_kacc ) ! K in Accumulation mode (AE6) SLN 16March2011\n lfeacc = findSgrAer( req_feacc ) ! Fe in Accumulation mode (AE6) SLN 22March2011\n lmnacc = findSgrAer( req_mnacc ) ! Mn in Accumulation mode (AE6) SLN 22March2011\n lsoilc = findSgrAer( req_soilc ) ! SOIL in Coarse mode (AE6) SLN 16March2011\n lanthc = findSgrAer( req_anthc ) ! CORS in Coarse mode (AE6) SLN 16March2011\n lseasc = findSgrAer( req_seasc ) ! SEAS in Coarse mode (AE6) SLN 16March2011\n lietet = findSgrAer( req_aietet ) ! 2-Methyltetrols \n lieos = findSgrAer( req_aieos ) ! IEPOX-derived orgranosulfates \n ldimer = findSgrAer( req_adimer ) ! Dimers \n limga = findSgrAer( req_aimga ) ! 2-Methylglyceric acid \n limos = findSgrAer( req_aimos ) ! MAE/HMML-derived-organosulfates \n liso3 = findSgrAer( req_aiso3 ) ! 2-Methyltetrols etc \n \nC...For TXHG version\n ltracer_akn = findSgrAer( req_traceri ) ! Tracer aitken mode \n ltracer_acc = findSgrAer( req_tracerj ) ! Tracer accumation mode \n ltracer_cor = findSgrAer( req_tracerk ) ! Tracer coarse mode \n lphg_akn = findSgrAer( req_phgi ) ! Mercuric aitken and accumulation modes\n lphg_acc = findSgrAer( req_phgj ) ! Mercuric aitken and accumulation modes\n lphg_cor = findSgrAer( req_phgk ) ! Mercuric coarse mode\n\n mapped = .True.\n \nC...Match ACC mode surrogate indices to their AKN mode counterparts\n \n DO IAER = 1, NAER\n\t DO ISRG = 1, NSRGAER( IAER,2 )\t\t\n\t\t NAMEJ = CGRID2AQ_NAME( LSRGAER( IAER,2,ISRG ) )\n\t\t LS1 = LEN_TRIM(NAMEJ)\n\t\t LS2 = 0\n\t\t DO I = 1, LS1\n\t\t IF(NAMEJ(I:I) .NE. ' ') THEN\n\t\t\t LS2 = LS2+1\n\t\t END IF\n\t\t END DO\n\t\t ISRGI = 0\n\t\t\t\n IF(IAER .EQ. LTRACER_ACC) THEN\n\t\t IAERI = LTRACER_AKN \n\t\t ELSE\n\t\t IAERI = IAER\n\t\t END IF\n\t\t\t\n\t\t LOOP_SRGI: DO ISRG2 = 1, NSRGAER( IAERI, 1 )\n\t\t\t NAMEI = CGRID2AQ_NAME( LSRGAER( IAERI,1,ISRG2 ) )\n\t\t\t LS3 = LEN_TRIM(NAMEI)\n\t\t LS4 = 0\n\t\t DO I = 1, LS3\n\t\t IF(NAMEI(I:I) .NE. ' ') THEN\n\t\t\t LS4 = LS4+1\n\t\t\t END IF\n\t\t\t END DO\n\t\t\t\n\t\t\t IF( TRIM(NAMEJ(1:LS2-1)) .EQ. TRIM(NAMEI(1:LS4-1)) ) THEN\n\t\t\t ISRGI = ISRG2\n\t\t\t EXIT LOOP_SRGI\n\t\t\t END IF\n\t\t\t END DO LOOP_SRGI\t\n\t\t\t \n\t\t\t\n\t\t\tAKNSRG(IAER, ISRG) = ISRGI\n\n\t END DO\n END DO\n \n\n#ifdef verbose_cloud\n Write( logdev,'( /5x, a )' ) 'AQCHEM gas surrogate species'\n Write( logdev,'( 5x, a, i4 )' ) 'lso2: ', lso2\n Write( logdev,'( 5x, a, i4 )' ) 'lhno3: ', lhno3\n Write( logdev,'( 5x, a, i4 )' ) 'ln2o5: ', ln2o5\n Write( logdev,'( 5x, a, i4 )' ) 'lco2: ', lco2\n Write( logdev,'( 5x, a, i4 )' ) 'lnh3: ', lnh3\n Write( logdev,'( 5x, a, i4 )' ) 'lh2o2: ', lh2o2\n Write( logdev,'( 5x, a, i4 )' ) 'lo3: ', lo3\n Write( logdev,'( 5x, a, i4 )' ) 'lfoa: ', lfoa\n Write( logdev,'( 5x, a, i4 )' ) 'lmhp: ', lmhp\n Write( logdev,'( 5x, a, i4 )' ) 'lpaa: ', lpaa\n Write( logdev,'( 5x, a, i4 )' ) 'lh2so4: ', lh2so4\n Write( logdev,'( 5x, a, i4 )' ) 'lhcl: ', lhcl\n Write( logdev,'( 5x, a, i4 )' ) 'lgly: ', lgly\n Write( logdev,'( 5x, a, i4 )' ) 'lmgly: ', lmgly\n Write( logdev,'( 5x, a, i4 )' ) 'lho: ', lho\n Write( logdev,'( 5x, a, i4 )' ) 'liepox: ', liepox\n Write( logdev,'( 5x, a, i4 )' ) 'limae: ', limae\n Write( logdev,'( 5x, a, i4 )' ) 'lihmml: ', lihmml\n Write( logdev,'( 5x, a, i4 )' ) 'lho2: ', lho2\n Write( logdev,'( 5x, a, i4 )' ) 'lno2: ', lno2\n Write( logdev,'( 5x, a, i4 )' ) 'lhono: ', lhono\n Write( logdev,'( 5x, a, i4 )' ) 'lhno4: ', lhno4 \n Write( logdev,'( 5x, a, i4 )' ) 'lgcol: ', lgcol\n Write( logdev,'( 5x, a, i4 )' ) 'lccooh: ', lccooh\n Write( logdev,'( 5x, a, i4 )' ) 'lhcho: ', lhcho \n Write( logdev,'( 5x, a, i4 )' ) 'lno3rad: ', lno3rad \n Write( logdev,'( 5x, a, i4 )' ) 'lch3o2: ', lch3o2 \n Write( logdev,'( 5x, a, i4 )' ) 'lhchop: ', lhchop\n Write( logdev,'( 5x, a, i4 )' ) 'lpyruv: ', lpyruv \n\n Write( logdev,'( /5x, a )' ) 'AQCHEM aer osol surrogate species'\n Write( logdev,'( 5x, a, i4 )' ) 'lso4: ', lso4\n Write( logdev,'( 5x, a, i4 )' ) 'lnh4: ', lnh4\n Write( logdev,'( 5x, a, i4 )' ) 'lno3: ', lno3\n Write( logdev,'( 5x, a, i4 )' ) 'lsoa: ', lsoa\n Write( logdev,'( 5x, a, i4 )' ) 'lorgc: ', lorgc\n Write( logdev,'( 5x, a, i4 )' ) 'lpoa: ', lpoa\n Write( logdev,'( 5x, a, i4 )' ) 'lec: ', lec\n Write( logdev,'( 5x, a, i4 )' ) 'lpri: ', lpri\n Write( logdev,'( 5x, a, i4 )' ) 'lna: ', lna\n Write( logdev,'( 5x, a, i4 )' ) 'lcl: ', lcl\n Write( logdev,'( 5x, a, i4 )' ) 'lnum: ', lnum\n Write( logdev,'( 5x, a, i4 )' ) 'lsrf: ', lsrf\n Write( logdev,'( 5x, a, i4 )' ) 'lcaacc: ', lcaacc\n Write( logdev,'( 5x, a, i4 )' ) 'lmgacc: ', lmgacc\n Write( logdev,'( 5x, a, i4 )' ) 'lkacc: ', lkacc\n Write( logdev,'( 5x, a, i4 )' ) 'lfeacc: ', lfeacc\n Write( logdev,'( 5x, a, i4 )' ) 'lmnacc: ', lmnacc\n Write( logdev,'( 5x, a, i4 )' ) 'lsoilc: ', lsoilc\n Write( logdev,'( 5x, a, i4 )' ) 'lanthc: ', lanthc\n Write( logdev,'( 5x, a, i4 )' ) 'lseasc: ', lseasc\n Write( logdev,'( 5x, a, i4 )' ) 'lietet: ', lietet\n Write( logdev,'( 5x, a, i4 )' ) 'lieos: ', lieos\n Write( logdev,'( 5x, a, i4 )' ) 'ldimer: ', ldimer\n Write( logdev,'( 5x, a, i4 )' ) 'limga: ', limga\n Write( logdev,'( 5x, a, i4 )' ) 'limos: ', limos \n Write( logdev,'( 5x, a, i4 )' ) 'liso3: ', liso3 \n Write( logdev,'( 5x, a, i4 )' ) 'ltracer_akn: ', ltracer_akn\n Write( logdev,'( 5x, a, i4 )' ) 'ltracer_acc: ', ltracer_acc\n Write( logdev,'( 5x, a, i4 )' ) 'ltracer_cor: ', ltracer_cor\n Write( logdev,'( 5x, a, i4 )' ) 'lphg_akn: ', lphg_akn\n Write( logdev,'( 5x, a, i4 )' ) 'lphg_acc: ', lphg_acc\n Write( logdev,'( 5x, a, i4 )' ) 'lphg_cor: ', lphg_cor\n\n#endif\n\n Write( logdev,'( / 5x, a / )' ) ' --- AQCHEM Gas and Aerosol Species Mapped ---'\n\n1005 Format( / \"GASES\" / \"NGAS = \", i3 / \" name \",\" backgrd\" // )\n1007 Format( a16, 1x, f8.2 )\n1009 Format( / \"AEROSOLS\" / \"NAER = \", i3 / \" name(1) \", \" name(2) \",\n & \" name(3) \", \" dens \", \" backgrd\" // )\n1111 Format( 3(a16,1x), f6.0, 2(1x, f8.2) )\n1113 Format( a16, 1x, i4, 1x, a16, 1x, i4, 1x, i4) \n1114 Format( / \" CGRID_SPC \", 1x, \"SPC \", 1x, \" SURROGATE \", 1x, \"ISRG\", 1x, \"IDX \" )\n\n Return\n End Subroutine aq_data_init\n\nC-----------------------------------------------------------------------\n Function findSgrGas( vname ) Result ( idx )\n\nC Finds the index of 'required' gas surrogate species in the srggas list\n\nC Revision History:\nC First version was coded in April 2010 by Steve Howard with\nC Prakash Bhave, Jeff Young, and Sergey Napelenok.\nC-----------------------------------------------------------------------\n\n Use utilio_defn\n\n Implicit None\n\nC Arguments:\n Character( 16 ) :: vname\n Integer idx\n\nC Local Variables:\n Character( 80 ) :: xmsg\n Integer spc\n\n Do spc = 1, ngas \n If ( srggas( spc )%name .Eq. vname ) Then\n idx = spc\n ! Write( *,'(a,i5)' ) vname, idx\n Return\n End If\n End Do\n\n xmsg = 'Required Species ' // Trim( vname ) // ' Not found in SgrGas names array'\n Call m3exit( 'AQ_DATA', 0, 0, xmsg, xstat3 )\n\n Return\n End Function findSgrGas\n\nC-----------------------------------------------------------------------\n Function findSgrAer( vname ) Result ( idx )\n\nC Finds the index of 'required' Aerosol surrogate species in the srgaer list\n\nC Revision History:\nC First version was coded in April 2010 by Steve Howard with\nC Prakash Bhave, Jeff Young, and Sergey Napelenok.\nC-----------------------------------------------------------------------\n\n Use utilio_defn\n\n Implicit None\n\nC Arguments:\n Character( 16 ) :: vname\n Integer idx\n\nC Local Variables:\n Character( 80 ) :: xmsg\n Integer spc, n\n\n Do spc = 1, naer\n Do n = 1, nmodes\n ! Write( *,'(a,i5)' ) vname, spc\n If ( srgaer( spc )%name( n ) .Eq. vname ) Then\n idx = spc\n ! Write( *,'(a,i5)' ) vname, idx\n Return\n End If\n End Do\n End Do\n\n xmsg = 'Required Species ' // Trim( vname ) // ' Not found in SgrAer names array'\n Call m3exit( 'AQ_DATA', 0, 0, xmsg, xstat3 )\n\n Return\n End Function findSgrAer\n\nC-----------------------------------------------------------------------\n Subroutine set_aeconcmin( aeconcmin )\nC-----------------------------------------------------------------------\nC\nC Function:\nC set minimum concentrations for aerosol species\nC routine called from convcld_acm\nC\nC Preconditions:\nC Dates and times represented YYYYDDD:HHMMSS.\nC\nC Revision History:\nC 5/05 copied code from aero_depv to begin subroutine\nC 4/08 J.Kelly: added code to set min for coarse surface area\nC 21 Jun 10 J.Young: convert for Namelist redesign\nC-----------------------------------------------------------------------\n\n Use cgrid_spcs ! CGRID mechanism species\n Use aero_data\n Use utilio_defn\n\n Implicit None\n\nC..Includes:\n Include SUBST_CONST ! constants\n\nC..Functions:\n\nC..Parameters:\n\nC..Arguments:\n Real, Intent( Out ) :: aeconcmin( : ) ! array of minimum concentrations\n\nC..Local Variables:\n !Character( 16 ) :: pname = 'SET_AECONCMIN' ! program name\n\n Integer m ! mode loop counter\n Integer n ! aerospc loop counter\n Integer spc ! species loop counter\n\n ! compute minimums for numbers and surfaces\n Do m = 1, n_mode\n spc = index1( aeromode( m )%num_name, n_ae_spc, ae_spc )\n aeconcmin( spc ) = aeromode_minNum( m ) * mwair * 1.0E-3\n\n spc = index1( aeromode( m )%srf_name, n_ae_spc, ae_spc )\n aeconcmin( spc ) = aeromode_minM2( m ) * mwair * 1.0E-3\n End Do\n\n ! compute minimums for aerosol species\n Do m = 1, n_mode\n Do n = 1, n_aerospc\n If ( .NOT. aero_missing(n,m) ) Then\n spc = index1( aerospc( n )%name( m ), n_ae_spc, ae_spc )\n If ( spc .Ne. 0 ) Then\n aeconcmin( spc ) = aerospc( n )%min_conc( m ) * mwair * 1.0E-9 / ae_molwt( spc )\n End If\n End If\n End Do\n End Do \n\n Return\n End Subroutine set_aeconcmin\n\n End Module aq_data\n" }, { "path": "CCTM/src/cloud/acm_ae7_kmt2/aqchem_Function.F90", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n \n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n! \n! The ODE Function of Chemical Model File\n! \n! Generated by KPP-2.2.3 symbolic chemistry Kinetics PreProcessor\n! (http://www.cs.vt.edu/~asandu/Software/KPP)\n! KPP is distributed under GPL, the general public licence\n! (http://www.gnu.org/copyleft/gpl.html)\n! (C) 1995-1997, V. Damian & A. Sandu, CGRER, Univ. Iowa\n! (C) 1997-2005, A. Sandu, Michigan Tech, Virginia Tech\n! With important contributions from:\n! M. Damian, Villanova University, USA\n! R. Sander, Max-Planck Institute for Chemistry, Mainz, Germany\n! \n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\n\n\nMODULE aqchem_Function\n\n USE aqchem_Parameters\n IMPLICIT NONE\n\n! A - Rate for each equation\n REAL(kind=dp) :: A(NREACT)\n\nCONTAINS\n\n\n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n! \n! Fun - time derivatives of variables - Agregate form\n! Arguments :\n! V - Concentrations of variable species (local)\n! F - Concentrations of fixed species (local)\n! RCT - Rate constants (local)\n! Vdot - Time derivative of variable species concentrations\n! \n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\nSUBROUTINE Fun ( V, F, RCT, Vdot )\n\n! V - Concentrations of variable species (local)\n REAL(kind=dp) :: V(NVAR)\n! F - Concentrations of fixed species (local)\n REAL(kind=dp) :: F(NFIX)\n! RCT - Rate constants (local)\n REAL(kind=dp) :: RCT(NREACT)\n! Vdot - Time derivative of variable species concentrations\n REAL(kind=dp) :: Vdot(NVAR)\n\n\n! Computation of equation rates\n A(1) = RCT(1)*V(100)\n A(2) = RCT(2)*V(86)\n A(3) = RCT(3)*V(87)\n A(4) = RCT(4)*V(88)\n A(5) = RCT(5)*V(85)\n A(6) = RCT(6)*V(89)\n A(7) = RCT(7)*V(90)\n A(8) = RCT(8)*V(91)\n A(9) = RCT(9)*V(92)\n A(10) = RCT(10)*V(93)\n A(11) = RCT(11)*V(94)\n A(12) = RCT(12)*V(95)\n A(13) = RCT(13)*V(82)\n A(14) = RCT(14)*V(96)\n A(15) = RCT(15)*V(74)\n A(16) = RCT(16)*V(97)\n A(17) = RCT(17)*V(145)\n A(18) = RCT(18)*V(107)\n A(19) = RCT(19)*V(125)\n A(20) = RCT(20)*V(108)\n A(21) = RCT(21)*V(146)\n A(22) = RCT(22)*V(158)\n A(23) = RCT(23)*V(142)\n A(24) = RCT(24)*V(121)\n A(25) = RCT(25)*V(122)\n A(26) = RCT(26)*V(111)\n A(27) = RCT(27)*V(106)\n A(28) = RCT(28)*V(113)\n A(29) = RCT(29)*V(155)\n A(30) = RCT(30)*V(159)\n A(31) = RCT(31)*V(126)\n A(32) = RCT(32)*V(150)\n A(33) = RCT(33)*V(1)\n A(34) = RCT(34)*V(2)\n A(35) = RCT(35)*V(3)\n A(36) = RCT(36)*V(4)\n A(37) = RCT(37)*V(5)\n A(38) = RCT(38)*V(6)\n A(39) = RCT(39)*V(7)\n A(40) = RCT(40)*V(8)\n A(41) = RCT(41)*V(145)\n A(42) = RCT(42)*V(157)\n A(43) = RCT(43)*V(107)\n A(44) = RCT(44)*V(125)\n A(45) = RCT(45)*V(115)\n A(46) = RCT(46)*V(108)\n A(47) = RCT(47)*V(142)\n A(48) = RCT(48)*V(111)\n A(49) = RCT(49)*F(1)\n A(50) = RCT(50)*V(110)\n A(51) = RCT(51)*V(124)\n A(52) = RCT(52)*V(155)\n A(53) = RCT(53)*V(126)\n A(54) = RCT(54)*V(150)\n A(55) = RCT(55)*V(156)*V(157)\n A(56) = RCT(56)*V(156)*V(160)\n A(57) = RCT(57)*V(147)*V(156)\n A(58) = RCT(58)*V(115)*V(156)\n A(59) = RCT(59)*V(114)*V(156)\n A(60) = RCT(60)*V(109)*V(153)\n A(61) = RCT(61)*V(138)*V(156)\n A(62) = RCT(62)*V(112)*V(156)\n A(63) = RCT(63)*V(153)*V(156)\n A(64) = RCT(64)*V(124)*V(156)\n A(65) = RCT(65)*V(154)*V(156)\n A(66) = RCT(66)*V(151)*V(156)\n A(67) = RCT(67)*V(152)*V(156)\n A(68) = RCT(68)*V(130)*V(156)\n A(69) = RCT(69)*V(146)*V(156)*V(157)\n A(70) = RCT(70)*V(145)*V(158)\n A(71) = RCT(71)*V(157)*V(158)\n A(72) = RCT(72)*V(158)*V(160)\n A(73) = RCT(73)*V(14)*V(145)\n A(74) = RCT(74)*V(14)*V(157)\n A(75) = RCT(75)*V(14)*V(160)\n A(76) = RCT(76)*V(13)*V(145)\n A(77) = RCT(77)*V(13)*V(157)\n A(78) = RCT(78)*V(13)*V(160)\n A(79) = RCT(79)*V(13)*V(14)*V(145)\n A(80) = RCT(80)*V(13)*V(14)*V(157)\n A(81) = RCT(81)*V(13)*V(14)*V(160)\n A(82) = RCT(82)*V(121)*V(156)*V(157)\n A(83) = RCT(83)*V(122)*V(156)*V(157)\n A(84) = RCT(84)*V(122)*V(157)\n A(85) = RCT(85)*V(155)*V(155)\n A(86) = RCT(86)*V(151)*V(155)\n A(87) = RCT(87)*V(151)*V(158)\n A(88) = RCT(88)*V(145)*V(159)\n A(89) = RCT(89)*V(157)*V(159)\n A(90) = RCT(90)*V(159)*V(160)\n A(91) = RCT(91)*V(150)*V(157)\n A(92) = RCT(92)*V(130)\n A(93) = RCT(93)*V(152)*V(158)\n A(94) = RCT(94)*V(152)*V(161)\n A(95) = RCT(95)*V(126)*V(161)\n A(96) = RCT(96)*V(145)\n A(97) = RCT(97)*V(107)\n A(98) = RCT(98)*V(125)\n A(99) = RCT(99)*V(108)\n A(100) = RCT(100)*V(146)\n A(101) = RCT(101)*V(158)\n A(102) = RCT(102)*V(142)\n A(103) = RCT(103)*V(121)\n A(104) = RCT(104)*V(122)\n A(105) = RCT(105)*V(110)\n A(106) = RCT(106)*V(111)\n A(107) = RCT(107)*V(106)\n A(108) = RCT(108)*V(113)\n A(109) = RCT(109)*V(154)\n A(110) = RCT(110)*V(147)\n A(111) = RCT(111)*V(109)\n A(112) = RCT(112)*V(112)\n A(113) = RCT(113)*V(9)\n A(114) = RCT(114)*V(10)\n A(115) = RCT(115)*V(11)\n A(116) = RCT(116)*V(12)\n A(117) = RCT(117)*V(15)\n A(118) = RCT(118)*V(16)\n A(119) = RCT(119)*V(17)\n A(120) = RCT(120)*V(18)\n A(121) = RCT(121)*V(13)\n A(122) = RCT(122)*V(14)\n A(123) = RCT(123)*V(156)\n A(124) = RCT(124)*V(153)\n A(125) = RCT(125)*V(157)\n A(126) = RCT(126)*V(160)\n A(127) = RCT(127)*V(115)\n A(128) = RCT(128)*V(114)\n A(129) = RCT(129)*V(138)\n A(130) = RCT(130)*V(124)\n A(131) = RCT(131)*V(151)\n A(132) = RCT(132)*V(155)\n A(133) = RCT(133)*V(159)\n A(134) = RCT(134)*V(126)\n A(135) = RCT(135)*V(152)\n A(136) = RCT(136)*V(130)\n A(137) = RCT(137)*V(150)\n A(138) = RCT(138)*F(2)\n A(139) = RCT(139)*V(161)\n A(140) = RCT(140)*V(161)\n A(141) = RCT(141)*V(101)\n A(142) = RCT(142)*V(75)\n A(143) = RCT(143)*V(77)\n A(144) = RCT(144)*V(116)\n A(145) = RCT(145)*V(76)\n A(146) = RCT(146)*V(78)\n A(147) = RCT(147)*V(116)*F(1)\n A(148) = RCT(148)*V(116)*V(154)\n A(149) = RCT(149)*V(102)*V(116)\n A(150) = RCT(150)*V(103)*V(116)\n A(151) = RCT(151)*V(116)*F(1)\n A(152) = RCT(152)*V(116)*V(154)\n A(153) = RCT(153)*V(116)*V(147)\n A(154) = RCT(154)*V(76)*F(1)\n A(155) = RCT(155)*V(76)*V(154)\n A(156) = RCT(156)*V(78)*F(1)\n A(157) = RCT(157)*V(78)*V(154)\n A(158) = RCT(158)*V(116)\n A(159) = RCT(159)*V(102)\n A(160) = RCT(160)*V(103)\n A(161) = RCT(161)*V(56)\n A(162) = RCT(162)*V(76)\n A(163) = RCT(163)*V(78)\n A(164) = RCT(164)*V(60)\n A(165) = RCT(165)*V(62)\n A(166) = RCT(166)*V(53)\n A(167) = RCT(167)*V(79)\n A(168) = RCT(168)*V(80)\n A(169) = RCT(169)*V(81)\n A(170) = RCT(170)*V(84)\n A(171) = RCT(171)*V(83)\n A(172) = RCT(172)*V(105)\n A(173) = RCT(173)*V(135)\n A(174) = RCT(174)*V(144)\n A(175) = RCT(175)*V(119)\n A(176) = RCT(176)*V(134)\n A(177) = RCT(177)*V(137)\n A(178) = RCT(178)*V(129)\n A(179) = RCT(179)*V(132)\n A(180) = RCT(180)*V(134)\n A(181) = RCT(181)*V(139)\n A(182) = RCT(182)*V(135)\n A(183) = RCT(183)*V(141)*V(156)\n A(184) = RCT(184)*V(132)*V(156)\n A(185) = RCT(185)*V(131)*V(156)\n A(186) = RCT(186)*V(133)*V(156)\n A(187) = RCT(187)*V(140)*V(156)\n A(188) = RCT(188)*V(136)*V(156)\n A(189) = RCT(189)*V(144)*F(1)\n A(190) = RCT(190)*V(149)\n A(191) = RCT(191)*V(119)*F(1)\n A(192) = RCT(192)*V(117)\n A(193) = RCT(193)*V(146)\n A(194) = RCT(194)*V(105)*V(161)\n A(195) = RCT(195)*V(105)*V(161)\n A(196) = RCT(196)*V(139)*V(161)\n A(197) = RCT(197)*V(140)*V(161)\n A(198) = RCT(198)*V(106)*V(161)\n A(199) = RCT(199)*V(137)*V(161)\n A(200) = RCT(200)*V(141)*V(161)\n A(201) = RCT(201)*V(129)*V(161)\n A(202) = RCT(202)*V(132)*V(161)\n A(203) = RCT(203)*V(131)*V(161)\n A(204) = RCT(204)*V(113)*V(161)\n A(205) = RCT(205)*V(134)*V(161)\n A(206) = RCT(206)*V(133)*V(161)\n A(207) = RCT(207)*V(135)*V(161)\n A(208) = RCT(208)*V(136)*V(161)\n A(209) = RCT(209)*V(149)*V(161)\n A(210) = RCT(210)*V(142)*V(161)\n A(211) = RCT(211)*V(117)*V(161)\n A(212) = RCT(212)*V(137)\n A(213) = RCT(213)*V(141)\n A(214) = RCT(214)*V(129)\n A(215) = RCT(215)*V(132)\n A(216) = RCT(216)*V(131)\n A(217) = RCT(217)*V(134)\n A(218) = RCT(218)*V(133)\n A(219) = RCT(219)*V(135)\n A(220) = RCT(220)*V(136)\n A(221) = RCT(221)*V(149)\n A(222) = RCT(222)*V(105)\n A(223) = RCT(223)*V(139)\n A(224) = RCT(224)*V(140)\n A(225) = RCT(225)*V(144)\n A(226) = RCT(226)*V(119)\n A(227) = RCT(227)*V(117)\n A(228) = RCT(228)*V(98)\n A(229) = RCT(229)*V(99)\n A(230) = RCT(230)*V(127)\n A(231) = RCT(231)*V(120)\n A(232) = RCT(232)*V(147)\n A(233) = RCT(233)*V(161)*V(161)\n A(234) = RCT(234)*V(155)*V(161)\n A(235) = RCT(235)*V(151)*V(161)\n A(236) = RCT(236)*V(146)*V(161)\n A(237) = RCT(237)*V(157)*V(161)\n A(238) = RCT(238)*V(155)*V(159)\n A(239) = RCT(239)*V(151)*V(159)\n A(240) = RCT(240)*V(150)\n A(241) = RCT(241)*V(127)*V(154)\n A(242) = RCT(242)*V(127)*V(157)\n A(243) = RCT(243)*V(104)*F(3)\n A(244) = RCT(244)*V(143)*V(155)\n A(245) = RCT(245)*V(143)*V(143)\n A(246) = RCT(246)*V(128)*V(156)*V(157)\n A(247) = RCT(247)*V(123)*F(1)\n A(248) = RCT(248)*V(120)*V(120)\n A(249) = RCT(249)*V(120)*V(157)\n A(250) = RCT(250)*V(138)*V(161)\n A(251) = RCT(251)*V(144)*V(157)\n A(252) = RCT(252)*V(144)*V(160)\n A(253) = RCT(253)*V(148)\n A(254) = RCT(254)*V(148)*V(153)\n A(255) = RCT(255)*V(148)*V(161)\n A(256) = RCT(256)*V(119)*V(157)\n A(257) = RCT(257)*V(119)*V(160)\n A(258) = RCT(258)*V(118)\n A(259) = RCT(259)*V(118)*V(153)\n A(260) = RCT(260)*V(118)*V(161)\n A(261) = RCT(261)*V(127)\n A(262) = RCT(262)*V(120)\n A(263) = RCT(263)*V(123)\n A(264) = RCT(264)*V(104)\n A(265) = RCT(265)*V(148)\n A(266) = RCT(266)*V(143)\n A(267) = RCT(267)*V(128)\n A(268) = RCT(268)*V(22)\n A(269) = RCT(269)*V(118)\n\n! Aggregate function\n Vdot(1) = -A(33)\n Vdot(2) = -A(34)\n Vdot(3) = -A(35)\n Vdot(4) = -A(36)\n Vdot(5) = -A(37)\n Vdot(6) = -A(38)\n Vdot(7) = -A(39)\n Vdot(8) = -A(40)\n Vdot(9) = A(40)-A(113)\n Vdot(10) = A(38)-A(114)\n Vdot(11) = -A(115)\n Vdot(12) = A(39)-A(116)\n Vdot(13) = -A(121)\n Vdot(14) = -A(122)\n Vdot(15) = -A(117)\n Vdot(16) = -A(118)\n Vdot(17) = -A(119)\n Vdot(18) = A(36)-A(120)\n Vdot(19) = A(96)+A(125)+A(126)+A(263)+A(264)+A(265)+A(266)+A(267)\n Vdot(20) = A(97)\n Vdot(21) = A(98)+A(127)+A(128)+A(268)\n Vdot(22) = A(202)+A(203)-A(268)\n Vdot(23) = A(99)\n Vdot(24) = A(100)\n Vdot(25) = A(101)\n Vdot(26) = A(102)+A(129)\n Vdot(27) = A(103)\n Vdot(28) = A(104)\n Vdot(29) = A(105)+A(109)+A(130)\n Vdot(30) = A(106)\n Vdot(31) = A(107)\n Vdot(32) = A(108)\n Vdot(33) = A(140)\n Vdot(34) = A(110)\n Vdot(35) = A(111)\n Vdot(36) = A(112)\n Vdot(37) = A(113)\n Vdot(38) = A(121)\n Vdot(39) = A(122)\n Vdot(40) = A(114)\n Vdot(41) = A(115)\n Vdot(42) = A(116)\n Vdot(43) = A(123)\n Vdot(44) = A(117)\n Vdot(45) = A(118)\n Vdot(46) = A(119)\n Vdot(47) = A(120)\n Vdot(48) = A(133)\n Vdot(49) = A(134)+A(135)\n Vdot(50) = A(136)+A(137)\n Vdot(51) = A(158)\n Vdot(52) = A(159)+A(166)\n Vdot(53) = A(151)+A(152)+A(153)-A(166)\n Vdot(54) = A(160)\n Vdot(55) = A(161)\n Vdot(56) = A(149)+A(150)-A(161)\n Vdot(57) = A(162)\n Vdot(58) = A(163)\n Vdot(59) = A(164)\n Vdot(60) = A(154)+A(156)-A(164)\n Vdot(61) = A(165)\n Vdot(62) = A(155)+A(157)-A(165)\n Vdot(63) = A(212)+A(213)\n Vdot(64) = A(214)+A(215)+A(216)\n Vdot(65) = A(217)+A(218)\n Vdot(66) = A(219)+A(220)\n Vdot(67) = A(221)+A(225)+A(265)\n Vdot(68) = A(131)+A(132)\n Vdot(69) = A(222)\n Vdot(70) = A(223)+A(224)\n Vdot(71) = A(226)+A(227)+A(269)\n Vdot(72) = A(261)\n Vdot(73) = A(262)\n Vdot(74) = -A(15)+A(31)\n Vdot(75) = -A(142)+A(145)\n Vdot(76) = A(142)-A(145)-A(154)-A(155)-A(162)\n Vdot(77) = -A(143)+A(146)\n Vdot(78) = A(143)-A(146)-A(156)-A(157)-A(163)\n Vdot(79) = -A(167)+A(172)\n Vdot(80) = -A(168)+A(173)\n Vdot(81) = -A(169)+A(174)\n Vdot(82) = -A(13)+A(29)\n Vdot(83) = -A(171)+A(176)\n Vdot(84) = -A(170)+A(175)\n Vdot(85) = -A(5)+A(21)\n Vdot(86) = -A(2)+A(18)\n Vdot(87) = -A(3)+A(19)\n Vdot(88) = -A(4)+A(20)\n Vdot(89) = -A(6)+A(22)\n Vdot(90) = -A(7)+A(23)\n Vdot(91) = -A(8)+A(24)\n Vdot(92) = -A(9)+A(25)\n Vdot(93) = -A(10)+A(26)\n Vdot(94) = -A(11)+A(27)\n Vdot(95) = -A(12)+A(28)\n Vdot(96) = -A(14)+A(30)\n Vdot(97) = -A(16)+A(32)\n Vdot(98) = -A(228)+A(230)\n Vdot(99) = -A(229)+A(231)\n Vdot(100) = -A(1)+A(17)\n Vdot(101) = -A(141)+A(144)\n Vdot(102) = A(147)-A(149)-A(159)\n Vdot(103) = A(148)-A(150)-A(160)\n Vdot(104) = A(237)+A(242)-A(243)+A(249)-A(264)\n Vdot(105) = A(167)-A(172)-A(194)-A(195)-A(222)\n Vdot(106) = A(11)-A(27)-A(107)+A(195)-A(198)\n Vdot(107) = A(2)-A(18)-A(43)+A(57)-A(97)\n Vdot(108) = A(4)-A(20)-A(46)+A(60)-A(99)\n Vdot(109) = A(34)+A(46)-A(60)-A(111)\n Vdot(110) = -A(50)+A(64)-A(105)\n Vdot(111) = A(10)-A(26)-A(48)+A(62)-A(106)\n Vdot(112) = A(35)+A(48)-A(62)-A(112)\n Vdot(113) = A(12)-A(28)-A(108)-A(204)\n Vdot(114) = A(45)-A(59)-A(128)\n Vdot(115) = A(44)-A(45)-A(58)+A(59)-A(127)\n Vdot(116) = A(141)-A(144)-A(147)-A(148)-A(149)-A(150)-A(151)-A(152)-A(153)-A(158)\n Vdot(117) = A(191)-A(192)-A(211)-A(227)+A(259)\n Vdot(118) = A(256)+A(257)-A(258)-A(259)-A(260)-A(269)\n Vdot(119) = A(170)-A(175)-A(191)+A(192)-A(226)-A(256)-A(257)+A(258)\n Vdot(120) = A(229)-A(231)-2*A(248)-A(249)-A(262)\n Vdot(121) = A(8)-A(24)-A(82)-A(103)+A(249)\n Vdot(122) = A(9)-A(25)-A(83)-A(84)-A(104)\n Vdot(123) = A(241)+2*A(245)-A(247)-A(263)\n Vdot(124) = A(50)-A(51)-A(64)+A(65)-A(130)+A(247)\n Vdot(125) = A(3)-A(19)-A(44)+A(58)-A(98)+2*A(201)+A(202)+A(203)+A(205)+A(206)+A(210)+A(250)\n Vdot(126) = A(15)-A(31)-A(53)+A(67)-A(95)-A(134)\n Vdot(127) = A(228)-A(230)-A(241)-A(242)-A(261)\n Vdot(128) = A(244)-A(246)-A(267)\n Vdot(129) = -A(178)+A(184)+A(199)-A(201)-A(214)\n Vdot(130) = A(54)-A(68)-A(92)-A(136)+A(239)\n Vdot(131) = A(179)-A(185)-A(203)-A(216)\n Vdot(132) = A(178)-A(179)-A(184)+A(185)+A(200)-A(202)-A(215)\n Vdot(133) = A(180)-A(186)+0.92*A(204)-A(206)-A(218)\n Vdot(134) = A(171)-A(176)-A(180)+A(186)-A(205)-A(217)\n Vdot(135) = A(168)-A(173)-A(182)+A(188)+A(205)-A(207)-A(219)\n Vdot(136) = A(182)-A(188)+A(206)-A(208)-A(220)\n Vdot(137) = -A(177)+A(183)+A(198)-A(199)+0.85*A(207)-A(212)\n Vdot(138) = A(47)-A(61)-A(129)-A(250)\n Vdot(139) = -A(181)+A(187)+A(194)-A(196)-A(223)\n Vdot(140) = A(181)-A(187)-A(197)-A(224)\n Vdot(141) = A(177)-A(183)+A(196)+A(197)-A(200)+0.08*A(204)+0.85*A(208)-A(213)\n Vdot(142) = A(7)-A(23)-A(47)+A(61)-A(102)+A(209)-A(210)+A(255)\n Vdot(143) = A(243)-A(244)-2*A(245)-A(266)\n Vdot(144) = A(169)-A(174)-A(189)+A(190)-A(225)+2*A(248)-A(251)-A(252)+A(253)\n Vdot(145) = A(1)-A(17)-A(41)+A(55)-A(70)-A(73)-A(76)-A(79)-A(88)-A(96)\n Vdot(146) = A(5)-A(21)-A(69)+A(85)+A(86)-A(100)-A(193)+A(233)-A(236)\n Vdot(147) = A(33)+A(43)-A(57)+A(91)+A(93)-A(110)-A(153)-A(232)+A(241)+A(242)\n Vdot(148) = A(251)+A(252)-A(253)-A(254)-A(255)-A(265)\n Vdot(149) = A(189)-A(190)+0.15*A(207)+0.15*A(208)-A(209)-A(221)+A(254)\n Vdot(150) = A(16)-A(32)-A(54)+A(68)-A(91)-A(137)+A(238)-A(240)\n Vdot(151) = A(52)-A(66)-A(86)-A(87)-A(131)-A(235)-A(239)\n Vdot(152) = A(53)-A(67)+2*A(88)+2*A(89)+2*A(90)+A(92)-A(93)-A(94)-A(135)\n Vdot(153) = A(46)+A(49)-A(60)-A(63)+A(86)+A(87)+A(94)-A(124)+A(203)+A(232)+A(235)+A(250)+A(252)-A(254)\n Vdot(154) = A(37)+A(51)-A(65)+A(69)+A(70)+A(71)+A(72)+A(73)+A(74)+A(75)+A(76)+A(77)+A(78)+A(79)+A(80)+A(81)+A(82)&\n &+A(83)+A(84)+A(88)+A(89)+A(90)+A(91)-A(109)-A(148)-A(152)-A(155)-A(157)-A(241)+2*A(246)\n Vdot(155) = A(13)-A(29)-A(52)+A(66)-2*A(85)-A(86)-A(132)+A(194)+A(195)+A(196)+A(197)+A(198)+A(199)+A(200)+A(204)&\n &+A(205)+A(206)+A(209)+A(210)-A(234)+A(236)-A(238)+A(240)-A(244)+2*A(248)+A(250)+A(255)\n Vdot(156) = A(41)+A(42)+A(43)+A(44)+A(45)+A(47)+A(48)+A(49)+A(50)+A(51)+A(52)+A(53)+A(54)-A(55)-A(56)-A(57)-A(58)&\n &-A(59)-A(61)-A(62)-A(63)-A(64)-A(65)-A(66)-A(67)-A(68)+A(69)+2*A(70)+A(71)+2*A(73)+A(74)+2*A(76)+A(77)+2&\n &*A(79)+A(80)+A(82)+A(83)+A(84)+4*A(88)+3*A(89)+2*A(90)+2*A(91)-A(123)+A(177)+A(178)+A(179)+A(180)+A(181)&\n &+A(182)-A(183)-A(184)-A(185)-A(186)-A(187)-A(188)+A(196)+A(242)+2*A(246)\n Vdot(157) = A(41)-A(42)-A(55)+A(56)-A(69)-A(71)-A(74)-A(77)-A(80)-A(82)-A(83)-A(84)-A(89)-A(91)-A(125)-A(237)-A(242)&\n &-A(246)-A(249)-A(251)+A(253)+A(255)\n Vdot(158) = A(6)-A(22)-A(70)-A(71)-A(72)-A(87)-A(93)-A(101)\n Vdot(159) = A(14)-A(30)-2*A(88)-2*A(89)-2*A(90)+A(94)+A(95)-A(133)+A(232)-A(238)-A(239)+A(240)\n Vdot(160) = A(42)-A(56)-A(72)-A(75)-A(78)-A(81)-A(90)-A(126)-A(252)+A(254)\n Vdot(161) = A(87)-A(94)-A(95)+A(138)-A(139)-A(140)+2*A(193)-A(194)-A(195)-A(196)-A(197)-A(198)-A(199)-A(200)-2*A(201)&\n &-A(202)-A(203)-A(204)-A(205)-A(206)-A(207)-A(208)-A(209)-A(210)+A(232)-2*A(233)-A(234)-A(235)-A(236)-A(237)&\n &+A(247)-A(250)-A(255)\n \nEND SUBROUTINE Fun\n\n! End of Fun function\n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\n\n\nEND MODULE aqchem_Function\n\n" }, { "path": "CCTM/src/cloud/acm_ae7_kmt2/aqchem_Global.F90", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n \n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n! \n! Global Data Module File\n! \n! Generated by KPP-2.2.3 symbolic chemistry Kinetics PreProcessor\n! (http://www.cs.vt.edu/~asandu/Software/KPP)\n! KPP is distributed under GPL, the general public licence\n! (http://www.gnu.org/copyleft/gpl.html)\n! (C) 1995-1997, V. Damian & A. Sandu, CGRER, Univ. Iowa\n! (C) 1997-2005, A. Sandu, Michigan Tech, Virginia Tech\n! With important contributions from:\n! M. Damian, Villanova University, USA\n! R. Sander, Max-Planck Institute for Chemistry, Mainz, Germany\n! \n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\n\n\nMODULE aqchem_Global\n\n USE aqchem_Parameters, ONLY: dp, NSPEC, NVAR, NFIX, NREACT\n PUBLIC\n SAVE\n\n\n! Declaration of global variables\n\n! C - Concentration of all species\n REAL(kind=dp) :: C(NSPEC)\n! VAR - Concentrations of variable species (global)\n REAL(kind=dp) :: VAR(NVAR)\n! FIX - Concentrations of fixed species (global)\n REAL(kind=dp) :: FIX(NFIX)\n! VAR, FIX are chunks of array C\n! EQUIVALENCE( C(1),VAR(1) )\n! EQUIVALENCE( C(162),FIX(1) )\n! RCONST - Rate constants (global)\n REAL(kind=dp) :: RCONST(NREACT)\n! TIME - Current integration time\n REAL(kind=dp) :: TIME\n! SUN - Sunlight intensity between [0,1]\n REAL(kind=dp) :: SUN\n! TEMP - Temperature\n REAL(kind=dp) :: TEMP\n! RTOLS - (scalar) Relative tolerance\n REAL(kind=dp) :: RTOLS\n! TSTART - Integration start time\n REAL(kind=dp) :: TSTART\n! TEND - Integration end time\n REAL(kind=dp) :: TEND\n! DT - Integration step\n REAL(kind=dp) :: DT\n! ATOL - Absolute tolerance\n REAL(kind=dp) :: ATOL(NVAR)\n! RTOL - Relative tolerance\n REAL(kind=dp) :: RTOL(NVAR)\n! STEPMIN - Lower bound for integration step\n REAL(kind=dp) :: STEPMIN\n! STEPMAX - Upper bound for integration step\n REAL(kind=dp) :: STEPMAX\n! CFACTOR - Conversion factor for concentration units\n REAL(kind=dp) :: CFACTOR\n\n! INLINED global variable declarations\n\n!\n REAL( kind=dp ), PARAMETER :: PHI = 6.0221413D17 ! Conversion factor \n ! (molec_m3/(mol_cm3))\n REAL( kind=dp ), PARAMETER :: DAQ = 1.0D-9 ! Aqueous phase diffusion \n ! coefficient (m2/s) \n \n REAL( kind=dp ) :: INV_TEMP ! Reciprocal of air temperature (1/K)\n REAL( kind=dp ) :: PRESS ! Pressure (atm)\n REAL( kind=dp ) :: TEMP_KPP ! Temperature (K)\n REAL( kind=dp ) :: LWC_KPP ! Liquid water content (kg H2O / m3 air)\n REAL( kind=dp ) :: LWCFRAC ! Liquid water content fraction\n REAL( kind=dp ) :: ALFA3_KPP ! Aitken scavenging coefficient (mass)\n REAL( kind=dp ) :: ALFA0_KPP ! Aitken scavenging coefficient (number)\n REAL( kind=dp ) :: WETFAC_KPP ! Wet deposition rate coefficient \n REAL( kind=dp ) :: FE_III ! Fe(3+) fraction of Fe total\n REAL( kind=dp ) :: MN_II ! Mn(2+) fraction of Mn total\n REAL( kind=dp ) :: FE_SOL ! Fraction of soluble Fe\n REAL( kind=dp ) :: MN_SOL ! Fraction of soluble Mn\n REAL( kind=dp ) :: DDIAM ! Droplet Diameter (m) \n REAL( kind=dp ) :: PHI2, INVPHI2 ! conversion factor (and inverse) \n ! (M/(molec/cm3air)) \n REAL( kind=dp ) :: STION ! Ionic strength\n REAL( kind=dp ) :: GM1LOG, GM2LOG, GM1, GM2 ! Activity correction\n REAL( kind=dp ) :: DELINVT ! 1/T - 1/298\n \n REAL( kind=dp ) :: SO2H ! SO2 H Law coef - from HLCONST \n REAL( kind=dp ) :: CO2H ! CO2 H Law coef - from HLCONST\n REAL( kind=dp ) :: NH3H ! NH3 H Law coef - from HLCONST \n REAL( kind=dp ) :: H2O2H ! H2O2 H Law coef - from HLCONST\n REAL( kind=dp ) :: O3H ! O3 H Law coef - from HLCONST \n REAL( kind=dp ) :: HCLH ! HCL H Law coef - from HLCONST \n REAL( kind=dp ) :: HNO3H ! HNO3 H Law coef - from HLCONST\n REAL( kind=dp ) :: MHPH ! MHP H Law coef - from HLCONST \n REAL( kind=dp ) :: PAAH ! PAA H Law coef - from HLCONST\n REAL( kind=dp ) :: FOAH ! FOA H Law coef - from HLCONST \n REAL( kind=dp ) :: GLYH ! GLY H Law coef - from HLCONST\n REAL( kind=dp ) :: MGLYH ! MGLY H Law coef - from HLCONST \n ! --gas phase mech dependent\n REAL( kind=dp ) :: HOH ! HO H Law coef - from HLCONST\n REAL( kind=dp ) :: GCOLH ! GCOL H Law coef - from HLCONST\n REAL( kind=dp ) :: CCOOHH ! CCOOH H Law coef - from HLCONST\n REAL( kind=dp ) :: HCHOH ! HCHO H Law coef - from HLCONST\n REAL( kind=dp ) :: HO2H ! HO2 H Law coef - from HLCONST\n REAL( kind=dp ) :: NO2H ! NO2 H Law coef - from HLCONST\n REAL( kind=dp ) :: HONOH ! HONO H Law coef - from HLCONST\n REAL( kind=dp ) :: HNO4H ! HNO4 H Law coef - from HLCONST\n \n REAL( kind=dp ) :: NO3H ! NO3 H Law coef - from HLCONST\n REAL( kind=dp ) :: CH3O2H ! CH3O2 H Law coef - from HLCONST\n \n REAL( kind=dp ) :: HIEPOX ! IEPOX H Law coef - from HLCONST\n REAL( kind=dp ) :: HMAE ! MAE H Law coef - from HLCONST\n REAL( kind=dp ) :: HHMML ! HMML H Law coef - from HLCONST\n \n REAL( kind=dp ) :: PYRACH ! Pyruvic acid H Law coef - from HLCONST\n \n REAL( kind=dp ) CZEN_KPP ! For alternative SOA chemistry \n \n REAL( kind=dp ) :: JH2O2 ! H2O2 photolysis rate \n REAL( kind=dp ) :: JHNO3 ! HNO3 photolysis rate \n \n REAL( kind=dp ) :: PHOTO ! 1 or 0 whether to use simple photolysis\n ! rate if not calculated externally\n\n INTEGER JDATEKPP\n INTEGER JTIMEKPP\n \n INTEGER ISPC8\n INTEGER MTPYRAC \n\n\n! INLINED global variable declarations\n\n\nEND MODULE aqchem_Global\n\n" }, { "path": "CCTM/src/cloud/acm_ae7_kmt2/aqchem_Initialize.F90", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n \n\n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n! \n! Initialization File\n! \n! Generated by KPP-2.2.3 symbolic chemistry Kinetics PreProcessor\n! (http://www.cs.vt.edu/~asandu/Software/KPP)\n! KPP is distributed under GPL, the general public licence\n! (http://www.gnu.org/copyleft/gpl.html)\n! (C) 1995-1997, V. Damian & A. Sandu, CGRER, Univ. Iowa\n! (C) 1997-2005, A. Sandu, Michigan Tech, Virginia Tech\n! With important contributions from:\n! M. Damian, Villanova University, USA\n! R. Sander, Max-Planck Institute for Chemistry, Mainz, Germany\n! \n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\n\n\nMODULE aqchem_Initialize\n\n USE aqchem_Parameters\n USE aqchem_Global\n \n IMPLICIT NONE\n\nCONTAINS\n\n!kf Moved functions and rate coefficients that only need to be calculated once\n!kf per call to cloud chem from aqchem_Rates to aqchem_Initialize \n\n\n\n REAL( kind=dp )FUNCTION KMTF ( ACCOM, DG, MW )\n\n IMPLICIT NONE\n \n REAL( kind=dp ) ACCOM ! accommodation coefficient (unitless)\n REAL( kind=dp ) DG ! gas molecular diffusion coef (m2/s)\n REAL( kind=dp ) MW ! molecular weight (g/mol)\n REAL( kind=dp ) KMT, RHO1, RAD, R, PI, V\n \n RHO1 = 1.0D0 ! density of H2O (g/mL)\n RAD = DDIAM * 0.5D0 ! droplet radius (m)\n R = 8.3145D0 ! ideal gas constant (J/mol-K)\n PI = 3.1415926536\n \n V = SQRT( 8 * R * TEMP_KPP * 1000.0D0 / PI / MW ) ! m/s\n \n KMT = ( RAD*RAD ) / ( 3 * DG ) \n KMT = KMT + ( 4 * RAD / ( 3 * V * ACCOM ) )\n KMT = 1.0D0 / KMT ! mass transfer coefficient from Schwartz, 1986\n \n KMTF = KMT * LWC_KPP / 1000.D0 ! implied division by RHO1 (=1)\n \n RETURN\n \n END FUNCTION KMTF\n\n REAL( kind=dp )FUNCTION KMTB ( HLCONST, ACCOM, DG, MW )\n\n IMPLICIT NONE\n \n REAL( kind=dp ) ACCOM ! accommodation coefficient (unitless)\n REAL( kind=dp ) DG ! gas molecular diffusion coef (m2/s)\n REAL( kind=dp ) MW ! molecular weight (g/mol)\n REAL( kind=dp ) HLCONST, RHO1, RAD, R, PI, KMT, V, R2\n \n RAD = DDIAM * 0.5D0 ! droplet radius (m)\n R = 8.3145D0 ! ideal gas constant (J/mol-K)\n R2 = 0.08206D0 ! ideal gas constant (L-atm/mol-K) \n ! (= R/101325)\n PI = 3.1415926536\n \n V = SQRT( 8 * R * TEMP_KPP * 1000.0D0 / PI / MW ) ! m/s\n \n KMT = ( RAD * RAD ) / ( 3 * DG )\n KMT = KMT + ( 4 * RAD / ( 3 * V * ACCOM ) )\n KMT = 1.0D0 / KMT ! mass transfer coefficient from Schwartz, 1986\n \n KMTB = KMT / ( R2 * TEMP_KPP * HLCONST )\n \n RETURN\n \n END FUNCTION KMTB\n \n REAL( kind=dp )FUNCTION HYDF ( KF, DH )\n\n IMPLICIT NONE\n \n REAL( kind=dp ) DH, KF\n \n HYDF = KF * EXP( DH * DELINVT )\n HYDF = HYDF * PHI2\n \n RETURN\n \n END FUNCTION HYDF \n \n REAL( kind=dp )FUNCTION ORG ( KORG )\n\n IMPLICIT NONE\n \n REAL( kind=dp ) KORG\n \n ORG = KORG\n ORG = ORG * PHI2\n \n RETURN\n \n END FUNCTION ORG \n \n REAL( kind=dp )FUNCTION KPHOT ( MAXC, JVAL )\n\n IMPLICIT NONE\n \n REAL( kind=dp ) MAXC ! photolysis rate constant max\n REAL( kind=dp ) JVAL ! photolysis rate calculated externally\n \n IF ( JVAL .LT. 0.0) THEN\n KPHOT = MAXC\n IF (CZEN_KPP .GT. 0.001_dp) THEN\n KPHOT = PHOTO*2.718281828_dp*(MAXC)*EXP(-1/CZEN_KPP)\n ELSE \n KPHOT = 0.0_dp\n END IF \n ELSE\n KPHOT = JVAL\n END IF \n \n RETURN\n \n END FUNCTION KPHOT \n\n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n! \n! Initialize - function to initialize concentrations\n! Arguments :\n! \n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\n! SUBROUTINE Initialize ( )\n\n SUBROUTINE Initialize ( TEMP2, PRES_PA, TAUCLD, PRCRATE, &\n WCAVG, WTAVG, AIRM, ALFA0, ALFA3, GAS, &\n AEROSOL, CTHK1, DARK, COSZEN, &\n SOIL_FE_FAC, CORS_FE_FAC, SOIL_MN_FAC, &\n CORS_MN_FAC, SEAS_NA_FAC, SOIL_NA_FAC, &\n CORS_NA_FAC, SEAS_MG_FAC, SOIL_MG_FAC, &\n CORS_MG_FAC, SEAS_CA_FAC, SOIL_CA_FAC, &\n CORS_CA_FAC, SEAS_K_FAC, SOIL_K_FAC, &\n CORS_K_FAC )\n\n USE aqchem_Global\n USE AQ_DATA\n USE UTILIO_DEFN \n\n INTEGER :: i\n REAL(kind=dp) :: x\n!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! \n\n!...........Arguments:\n\n\n REAL, INTENT( IN ) :: AIRM ! Total air mass in cloudy layers (mol/m2)\n REAL, INTENT( IN ) :: ALFA0 ! Scav coef for aitken aerosol number\n REAL, INTENT( IN ) :: ALFA3 ! Scav coef for aitken aerosol mass\n REAL, INTENT( IN ) :: PRCRATE ! Precip rate (mm/hr)\n REAL, INTENT( IN ) :: PRES_PA ! Pressure (Pa)\n REAL, INTENT( IN ) :: TAUCLD ! Timestep for cloud (s)\n REAL, INTENT( IN ) :: TEMP2 ! Temperature (K)\n REAL, INTENT( IN ) :: WCAVG ! Liquid water content (kg/m3)\n REAL, INTENT( IN ) :: WTAVG ! Total water content (kg/m3)\n LOGICAL, INTENT( IN ) :: DARK ! DARK = TRUE is night, DARK = FALSE is day \n REAL( 8 ), INTENT( IN ) :: GAS ( : ) ! Gas phase concentrations (mol/molV)\n REAL( 8 ), INTENT( IN ) :: AEROSOL( :, : ) ! Aerosol concentrations (mol/molV)\n REAL( 8 ), INTENT( IN ) :: CTHK1\n REAL, INTENT( IN ) :: COSZEN ! Cosine solar zenith angle \n REAL( 8 ), INTENT( IN ) :: SOIL_FE_FAC ! Fe molar fraction of ASOIL\n REAL( 8 ), INTENT( IN ) :: CORS_FE_FAC ! Fe molar fraction of ACORS\n REAL( 8 ), INTENT( IN ) :: SOIL_MN_FAC ! Mn molar fraction of ASOIL\n REAL( 8 ), INTENT( IN ) :: CORS_MN_FAC ! Fe molar fraction of ACORS\n REAL( 8 ), INTENT( IN ) :: SEAS_NA_FAC ! Na molar fraction of ASEACAT\n REAL( 8 ), INTENT( IN ) :: SOIL_NA_FAC ! Fe molar fraction of ASOIL\n REAL( 8 ), INTENT( IN ) :: CORS_NA_FAC ! Fe molar fraction of ACORS\n REAL( 8 ), INTENT( IN ) :: SEAS_MG_FAC ! Na molar fraction of ASEACAT\n REAL( 8 ), INTENT( IN ) :: SOIL_MG_FAC ! Fe molar fraction of ASOIL\n REAL( 8 ), INTENT( IN ) :: CORS_MG_FAC ! Fe molar fraction of ACORS\n REAL( 8 ), INTENT( IN ) :: SEAS_CA_FAC ! Na molar fraction of ASEACAT\n REAL( 8 ), INTENT( IN ) :: SOIL_CA_FAC ! Fe molar fraction of ASOIL\n REAL( 8 ), INTENT( IN ) :: CORS_CA_FAC ! Fe molar fraction of ACORS\n REAL( 8 ), INTENT( IN ) :: SEAS_K_FAC ! Na molar fraction of ASEACAT\n REAL( 8 ), INTENT( IN ) :: SOIL_K_FAC ! Fe molar fraction of ASOIL\n REAL( 8 ), INTENT( IN ) :: CORS_K_FAC ! Fe molar fraction of ACORS \n \n!...........Local Variables:\n\n REAL( 8 ) :: TWASH\n REAL( 8 ) :: FECOR \n REAL( 8 ) :: MNCOR \n REAL( 8 ) :: NACOR \n REAL( 8 ) :: MGCOR \n REAL( 8 ) :: CACOR \n REAL( 8 ) :: KCOR \n REAL( 8 ) :: SUMPOS\n REAL( 8 ) :: SUMNEG \n REAL( 8 ) :: Kw \n REAL( 8 ) :: CHGBAL \n\n CHARACTER( 16 ), SAVE :: PNAME = 'AQCHEM_INIT'\n CHARACTER( 120 ) :: XMSG = ' ' ! Exit status message\n \n!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! \n\n CFACTOR = 1.000000e+00_dp\n\n x = (0.0)*CFACTOR\n DO i = 1, NVAR\n VAR(i) = x\n END DO\n\n x = (0.0)*CFACTOR\n DO i = 1, NFIX\n FIX(i) = x\n END DO\n\n! constant rate coefficients\n! END constant rate coefficients\n\n! INLINED initializations\n\n\n TSTART = 0.0D0\n DT = TAUCLD\n TEND = TSTART + DT\n RTOL = 1.0D-02\n ATOL = 1.0D-02 ! was 1.d-02\n \n RTOL( ind_L_H2O2 ) = 1.0d-3\n RTOL( ind_L_GLY ) = 1.0d-3\n RTOL( ind_L_MGLY ) = 1.0d-3\n RTOL( ind_L_IETET ) = 1.0d-3 \n\n DDIAM = 1.6D-5 ! Droplet diameter (meters)\n\n TEMP_KPP = TEMP2\n PRESS = PRES_PA / 101325.D0 ! Pressure (ATM)\n LWC_KPP = WCAVG\n LWCFRAC = LWC_KPP * 1.D-3 ! L H2O / L AIR\n \n INV_TEMP = 1.0D0 / TEMP_KPP\n DELINVT = ( 298.D0 - TEMP_KPP ) / ( 298.D0 * TEMP_KPP )\n\n TWASH = WTAVG * 1000.0D0 * CTHK1 * 3600.0D0 / &\n ( 1000.0D0 * MAX( 1.0D-20, REAL( PRCRATE, 8 ) ) )\n \n IF(PRCRATE .GT. 0.0) THEN\n WETFAC_KPP = 1.D0 / TWASH\n ELSE\n WETFAC_KPP = 0.D0\n END IF\n \n ALFA3_KPP = ALFA3\n ALFA0_KPP = ALFA0\n\n PHI2 = 1000.0D0 / 6.022d23 / LWCFRAC\n INVPHI2 = 1 / PHI2\n \n CZEN_KPP = REAL( COSZEN, 8 )\n\n! Fraction partitioning to FE(III) and MN(II)\n\n IF ( DARK ) THEN\n FE_III = 0.9D0 ! Night time, GS 01July2011\n ELSE\n FE_III = 0.1D0 ! Day time, GS 01July2011\n END IF\n\n MN_II = 1.0D0 \n\n! Solubility of Fe and Mn\n\n FE_SOL = 0.1D0 \n MN_SOL = 0.5D0 \n\n! Set initial dynamic concentrations based on input gas and \n! aerosol concentrations \n \n VAR( ind_G_SO2 ) = GAS( LSO2 )\n VAR( ind_G_HNO3 ) = GAS( LHNO3 ) + 2.0D0 * GAS( LN2O5 ) ! N2O5 transf. \n ! to HNO3\n VAR( ind_G_CO2 ) = GAS( LCO2 )\n VAR( ind_G_NH3 ) = GAS( LNH3 )\n VAR( ind_G_H2O2 ) = GAS( LH2O2 )\n VAR( ind_G_O3 ) = GAS( LO3 )\n VAR( ind_G_HCOOH ) = GAS( LFOA )\n VAR( ind_G_MHP ) = GAS( LMHP )\n VAR( ind_G_PAA ) = GAS( LPAA )\n VAR( ind_G_HCL ) = GAS( LHCL )\n VAR( ind_G_GLY ) = GAS( LGLY )\n VAR( ind_G_MGLY ) = GAS( LMGLY )\n! VAR( ind_G_HO ) = GAS( LHO )\n VAR( ind_G_IEPOX ) = GAS( LIEPOX )\n \n IF( ISPC8 .gt. 0 ) THEN\n VAR( ind_G_IMAE ) = GAS( LIMAE )\n VAR( ind_G_IHMML ) = GAS( LIHMML )\n END IF\n \n VAR( ind_G_NO2 ) = GAS( LNO2 )\n VAR( ind_G_HONO ) = GAS( LHONO )\n VAR( ind_G_HNO4 ) = GAS( LHNO4 )\n VAR( ind_G_NO3 ) = GAS( LNO3RAD )\n VAR( ind_G_CH3O2 ) = GAS( LCH3O2 )\n VAR(ind_G_GCOL) = GAS( LGCOL)\n VAR(ind_G_CCOOH) = GAS( LCCOOH )\n VAR(ind_G_HCHO) = GAS( LHCHO )\n VAR(ind_G_HO2) = GAS( LHO2 ) \n VAR(ind_G_HCHOP) = GAS( LHCHOP )\n \n IF( MTPYRAC .gt. 0 ) THEN\n VAR(ind_G_PYRAC) = GAS( LPYRUV ) \n END IF\n \n!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!\n \n VAR( ind_A_NO3AKN ) = AEROSOL( LNO3, AKN )\n VAR( ind_A_NH4AKN ) = AEROSOL( LNH4, AKN )\n VAR( ind_A_CLAKN ) = AEROSOL( LCL, AKN )\n VAR( ind_A_NAAKN ) = AEROSOL( LNA, AKN )\n VAR( ind_A_SO4AKN ) = AEROSOL( LSO4, AKN )\n VAR( ind_A_PECAKN ) = AEROSOL( LEC, AKN )\n VAR( ind_A_POAAKN ) = AEROSOL( LPOA, AKN )\n VAR( ind_A_PRIAKN ) = AEROSOL( LPRI, AKN )\n \n! Instantaneous droplet activation of ACC and COR modes and dissolution of H2SO4\n! Initial dynamic aqueous species represent the sum of ACC and COR mode \n! concentrations. \n\n VAR( ind_L_SO4MIN2 ) = AEROSOL( LSO4, ACC ) + AEROSOL( LSO4, COR )\n VAR( ind_L_NO3MIN ) = AEROSOL( LNO3, ACC ) + AEROSOL( LNO3, COR )\n VAR( ind_L_NH4PLUS ) = AEROSOL( LNH4, ACC ) + AEROSOL( LNH4, COR )\n VAR( ind_L_CLMIN ) = AEROSOL( LCL, ACC ) + AEROSOL( LCL, COR )\n VAR( ind_L_PRIACC ) = AEROSOL( LPRI, ACC )\n VAR( ind_L_NAPLUS ) = AEROSOL( LNA, ACC )\n VAR( ind_L_CAPLUS2 ) = AEROSOL( LCAACC, ACC )\n VAR( ind_L_MGPLUS2 ) = AEROSOL( LMGACC, ACC )\n VAR( ind_L_KPLUS ) = AEROSOL( LKACC, ACC )\n VAR( ind_L_PECACC ) = AEROSOL( LEC, ACC )\n! VAR( ind_L_ORGC ) = AEROSOL( LORGC, ACC )\n VAR( ind_L_ORGC ) = 0.2*AEROSOL( LORGC, ACC )\n VAR( ind_L_OXLACMIN2 ) = 0.8*AEROSOL( LORGC, ACC ) / & \n ( 90.03 / 177. ) ! Assume 80% of AORGC is oxalate --\n\t\t\t ! based on average results from CMAQ\n\t\t\t ! simulations where cloud generated \n\t\t\t\t\t ! org acid species were tracked \n VAR( ind_L_POAACC ) = AEROSOL( LPOA, ACC )\n \n IF( ISPC8 .gt. 0 ) THEN\n VAR( ind_L_IETET ) = AEROSOL( LIETET, ACC )\n VAR( ind_L_IEOS ) = AEROSOL( LIEOS, ACC )\n VAR( ind_L_DIMER ) = AEROSOL( LDIMER, ACC )\n VAR( ind_L_IMGA ) = AEROSOL( LIMGA, ACC )\n VAR( ind_L_IMOS ) = AEROSOL( LIMOS, ACC )\n ELSE\n VAR( ind_L_ISO3 ) = AEROSOL( LISO3, ACC )\n END IF\n \n VAR( ind_L_SO4MIN2 ) = VAR( ind_L_SO4MIN2 ) + GAS( LH2SO4 )\n\n! Coarse crustal species from SOILCOR, ANTHCOR, SEASCOR\n \n FECOR = SOIL_FE_FAC * AEROSOL(LSOILC,COR) + CORS_FE_FAC &\n * AEROSOL(LANTHC,COR)\n MNCOR = SOIL_MN_FAC * AEROSOL(LSOILC,COR) + CORS_MN_FAC &\n * AEROSOL(LANTHC,COR)\n NACOR = SEAS_NA_FAC * AEROSOL(LSEASC,COR) + SOIL_NA_FAC &\n * AEROSOL(LSOILC,COR) &\n + CORS_NA_FAC * AEROSOL(LANTHC,COR)\n MGCOR = SEAS_MG_FAC * AEROSOL(LSEASC,COR) + SOIL_MG_FAC &\n * AEROSOL(LSOILC,COR) &\n + CORS_MG_FAC * AEROSOL(LANTHC,COR)\n CACOR = SEAS_CA_FAC * AEROSOL(LSEASC,COR) + SOIL_CA_FAC &\n * AEROSOL(LSOILC,COR) &\n + CORS_CA_FAC * AEROSOL(LANTHC,COR)\n KCOR = SEAS_K_FAC * AEROSOL(LSEASC,COR) + SOIL_K_FAC &\n * AEROSOL(LSOILC,COR) &\n + CORS_K_FAC * AEROSOL(LANTHC,COR)\n \n! Cloudwater cations \n\n VAR( ind_L_NAPLUS ) = VAR( ind_L_NAPLUS ) + NACOR\n VAR( ind_L_CAPLUS2 ) = VAR( ind_L_CAPLUS2 ) + CACOR\n VAR( ind_L_MGPLUS2 ) = VAR( ind_L_MGPLUS2 ) + MGCOR\n VAR( ind_L_KPLUS ) = VAR( ind_L_KPLUS ) + KCOR \n\n! Fe3+ and Mn2+ for SIV oxidation\n \n VAR( ind_L_FEPLUS3 ) = FE_SOL * FE_III &\n * ( AEROSOL( LFEACC, ACC ) + FECOR ) \n VAR( ind_L_MNPLUS2 ) = MN_SOL * MN_II &\n * ( AEROSOL( LMNACC, ACC ) + MNCOR )\n \n! Convert concententrations from input units mol/mol air --> molec/cm3 air \n\n CFACTOR = PRES_PA / ( TEMP_KPP * 8.314510 ) * PHI\n\n DO I = 1, NVAR\n VAR( I ) = CFACTOR * VAR( I ) ! Dynamic species\n END DO\n\n DO I = 1, NFIX\n FIX( I ) = CFACTOR * FIX( I ) ! Fixed species\n END DO\n \n! FIX( indf_L_H2O ) = 1.D0 * INVPHI2 ! set to 1 M -- Kw includes [H2O]\n FIX( indf_L_H2O ) = 55.5D0 * INVPHI2 ! Kw in dynamic calcs does not \n ! include [H2O]\n!! FIX( indf_L_HO ) = ( GAS( LHO ) * PRESS * 30.D0 * EXP( 4.5D3 * &\n!! DELINVT ) ) * INVPHI2\n! FIX( indf_L_HO ) = INVPHI2 * ( ( GAS( LHO ) * PRESS * HOH ) / &\n! ( 1.d0 + HOH * WCAVG * 0.08206D0 * TEMP_KPP &\n! / 1000.d0 ) ) !initial HO(aq) calculated based \n! !on Henry's Law equil. \n! !with initial/input HOg \n! !representing amount of total \n! !HO (gas+aq) available \n FIX( indf_G_HO ) = GAS( LHO )*CFACTOR\n FIX( indf_L_O2 ) = 0.21 * PRESS * 1.3D-3 * EXP( 1500.D0 * DELINVT ) * INVPHI2\n \n! Calculate initial H+ and OH- from electroneutrality and Kw\n!\n! Sum of positive ions + H+ = Sum of negative ions + OH-\n!\n! [H+] * [OH-] = Kw \n! [H+] = Kw / [OH-]\n!\n! SUMPOS + Kw / [OH-] = SUMNEG + [OH-] --> \n! [OH-]**2 - (SUMPOS - SUMNEG)*[OH-] - Kw\n! Solve for [OH-] with quadratic formula and use Kw to get initial [H+]\n\n Kw = 1.00D-14 * EXP( -6.955D+03 * DELINVT ) ! includes conc of H2O\n\n SUMPOS = 2.D0 * ( VAR( ind_L_CAPLUS2) + VAR( ind_L_MGPLUS2 ) ) &\n + VAR( ind_L_NAPLUS ) + &\n VAR( ind_L_KPLUS ) + VAR( ind_L_NH4PLUS )\n SUMNEG = 2.D0 * ( VAR( ind_L_SO4MIN2 ) + VAR(ind_L_OXLACMIN2) ) + VAR( ind_L_NO3MIN ) &\n + VAR( ind_L_CLMIN )\n \n SUMPOS = SUMPOS * PHI2\n SUMNEG = SUMNEG * PHI2\n \n CHGBAL = SUMPOS - SUMNEG\n \n VAR( ind_L_OHMIN ) = ( CHGBAL + SQRT( CHGBAL * CHGBAL &\n + 4.D0 * Kw ) ) * 0.5D0\n\n IF( VAR( ind_L_OHMIN ) .gt. 0.D0 ) THEN ! If [OH-] is (+), calculate [H+]\n VAR( ind_L_HPLUS ) = Kw / VAR( ind_L_OHMIN )\n ELSE\n XMSG = 'ERROR IN INITIAL PH CALC -- [OH-] <= 0.'\n CALL M3EXIT ( PNAME, JDATEKPP, JTIMEKPP, XMSG, XSTAT2 ) \n END IF \n \n VAR( ind_L_OHMIN ) = VAR( ind_L_OHMIN ) * INVPHI2 ! convert to molec/cm3\n VAR( ind_L_HPLUS ) = VAR( ind_L_HPLUS ) * INVPHI2 ! convert to molec/cm3\n\n \n\n! End INLINED initializations\n\n RCONST(1) = ((KMTF(0.11D0,1.28D-5,64.064D0)))\n RCONST(2) = ((KMTF(0.0868D0,1.32D-5,63.013D0)))\n RCONST(3) = ((KMTF(0.00015D0,1.55D-5,44.01D0)))\n RCONST(4) = ((KMTF(0.091D0,2.3D-5,17.031D0)))\n RCONST(5) = ((KMTF(0.1532D0,1.46D-5,34.015D0)))\n RCONST(6) = ((KMTF(0.1D0,1.48D-5,47.998D0)))\n RCONST(7) = ((KMTF(0.0229D0,1.53D-5,46.025D0)))\n RCONST(8) = ((KMTF(0.006758D0,1.31D-5,48.04D0)))\n RCONST(9) = ((KMTF(0.019D0,1.02D-5,76.05D0)))\n RCONST(10) = ((KMTF(0.1158D0,1.89D-5,36.461D0)))\n RCONST(11) = ((KMTF(0.023D0,1.15D-5,58.04D0)))\n RCONST(12) = ((KMTF(0.023D0,1.15D-5,72.06D0)))\n RCONST(13) = ((KMTF(0.01D0,1.04D-5,33.01D0)))\n RCONST(14) = ((KMTF(0.0015D0,1.92D-5,46.01D0)))\n RCONST(15) = ((KMTF(0.5D0,1.3D-5,47.01D0)))\n RCONST(16) = ((KMTF(0.1D0,1.3D-5,79.01D0)))\n RCONST(17) = ((KMTB(SO2H,0.11D0,1.28D-5,64.064D0)))\n RCONST(18) = ((KMTB(HNO3H,0.0868D0,1.32D-5,63.013D0)))\n RCONST(19) = ((KMTB(CO2H,0.00015D0,1.55D-5,44.01D0)))\n RCONST(20) = ((KMTB(NH3H,0.091D0,2.3D-5,17.031D0)))\n RCONST(21) = ((KMTB(H2O2H,0.1532D0,1.46D-5,34.015D0)))\n RCONST(22) = ((KMTB(O3H,0.1D0,1.48D-5,47.998D0)))\n RCONST(23) = ((KMTB(FOAH,0.0229D0,1.53D-5,46.025D0)))\n RCONST(24) = ((KMTB(MHPH,0.006758D0,1.31D-5,48.04D0)))\n RCONST(25) = ((KMTB(PAAH,0.019D0,1.02D-5,76.05D0)))\n RCONST(26) = ((KMTB(HCLH,0.1158D0,1.89D-5,36.461D0)))\n RCONST(27) = ((KMTB(GLYH,0.023D0,1.15D-5,58.04D0)))\n RCONST(28) = ((KMTB(MGLYH,0.023D0,1.15D-5,72.06D0)))\n RCONST(29) = ((KMTB(HO2H,0.01D0,1.04D-5,33.01D0)))\n RCONST(30) = ((KMTB(NO2H,0.0015D0,1.92D-5,46.01D0)))\n RCONST(31) = ((KMTB(HONOH,0.5D0,1.3D-5,47.01D0)))\n RCONST(32) = ((KMTB(HNO4H,0.1D0,1.3D-5,79.01D0)))\n RCONST(33) = (ALFA3_KPP)\n RCONST(34) = (ALFA3_KPP)\n RCONST(35) = (ALFA3_KPP)\n RCONST(36) = (ALFA3_KPP)\n RCONST(37) = (ALFA3_KPP)\n RCONST(38) = (ALFA3_KPP)\n RCONST(39) = (ALFA3_KPP)\n RCONST(40) = (ALFA3_KPP)\n RCONST(92) = ((1.1d0))\n RCONST(96) = (WETFAC_KPP)\n RCONST(97) = (WETFAC_KPP)\n RCONST(98) = (WETFAC_KPP)\n RCONST(99) = (WETFAC_KPP)\n RCONST(100) = (WETFAC_KPP)\n RCONST(101) = (WETFAC_KPP)\n RCONST(102) = (WETFAC_KPP)\n RCONST(103) = (WETFAC_KPP)\n RCONST(104) = (WETFAC_KPP)\n RCONST(105) = (WETFAC_KPP)\n RCONST(106) = (WETFAC_KPP)\n RCONST(107) = (WETFAC_KPP)\n RCONST(108) = (WETFAC_KPP)\n RCONST(109) = (WETFAC_KPP)\n RCONST(110) = (WETFAC_KPP)\n RCONST(111) = (WETFAC_KPP)\n RCONST(112) = (WETFAC_KPP)\n RCONST(113) = (WETFAC_KPP)\n RCONST(114) = (WETFAC_KPP)\n RCONST(115) = (WETFAC_KPP)\n RCONST(116) = (WETFAC_KPP)\n RCONST(117) = (WETFAC_KPP)\n RCONST(118) = (WETFAC_KPP)\n RCONST(119) = (WETFAC_KPP)\n RCONST(120) = (WETFAC_KPP)\n RCONST(121) = (WETFAC_KPP)\n RCONST(122) = (WETFAC_KPP)\n RCONST(123) = (WETFAC_KPP)\n RCONST(124) = (WETFAC_KPP)\n RCONST(125) = (WETFAC_KPP)\n RCONST(126) = (WETFAC_KPP)\n RCONST(127) = (WETFAC_KPP)\n RCONST(128) = (WETFAC_KPP)\n RCONST(129) = (WETFAC_KPP)\n RCONST(130) = (WETFAC_KPP)\n RCONST(131) = (WETFAC_KPP)\n RCONST(132) = (WETFAC_KPP)\n RCONST(133) = (WETFAC_KPP)\n RCONST(134) = (WETFAC_KPP)\n RCONST(135) = (WETFAC_KPP)\n RCONST(136) = (WETFAC_KPP)\n RCONST(137) = (WETFAC_KPP)\n RCONST(138) = ((KMTF(0.05D0,1.53D-5,17.007D0)))\n RCONST(139) = ((KMTB(HOH,0.05D0,1.53D-5,17.007D0)))\n RCONST(140) = (WETFAC_KPP)\n RCONST(141) = ((KMTF(0.02D0,1.0D-5,118.13D0)))\n RCONST(142) = ((KMTF(0.02D0,1.0D-5,102.0D0)))\n RCONST(143) = ((KMTF(0.02D0,1.0D-5,102.0D0)))\n RCONST(144) = ((KMTB(HIEPOX,0.02D0,1.0D-5,118.13D0)))\n RCONST(145) = ((KMTB(HMAE,0.02D0,1.0D-5,102.0D0)))\n RCONST(146) = ((KMTB(HHMML,0.02D0,1.0D-5,102.0D0)))\n RCONST(158) = (WETFAC_KPP)\n RCONST(159) = (WETFAC_KPP)\n RCONST(160) = (WETFAC_KPP)\n RCONST(161) = (WETFAC_KPP)\n RCONST(162) = (WETFAC_KPP)\n RCONST(163) = (WETFAC_KPP)\n RCONST(164) = (WETFAC_KPP)\n RCONST(165) = (WETFAC_KPP)\n RCONST(166) = (WETFAC_KPP)\n RCONST(167) = ((KMTF(0.023D0,1.15D-5,60.052D0)))\n RCONST(168) = ((KMTF(0.0322D0,1.24D-5,60.052D0)))\n RCONST(169) = ((KMTF(0.02D0,1.64D-5,30.03D0)))\n RCONST(170) = ((KMTF(0.02D0,1.64D-5,30.03D0)))\n RCONST(171) = ((MTPYRAC*KMTF(0.0322D0,1.24D-5,88.06D0)))\n RCONST(172) = ((KMTB(GCOLH,0.023D0,1.15D-5,60.052D0)))\n RCONST(173) = ((KMTB(CCOOHH,0.0322D0,1.24D-5,60.052D0)))\n RCONST(174) = ((KMTB(HCHOH,0.02D0,1.64D-5,30.03D0)))\n RCONST(175) = ((KMTB(HCHOH,0.02D0,1.64D-5,30.03D0)))\n RCONST(176) = ((MTPYRAC*KMTB(PYRACH,0.0322D0,1.24D-5,88.06D0))) \n RCONST(189) = ((HYDF(1.8D-1,4.03D+3)))\n RCONST(190) = (5.1D-3)\n RCONST(191) = ((HYDF(1.8D-1,4.03D+3)))\n RCONST(192) = (5.1D-3)\n RCONST(193) = ((KPHOT(4.6D-6,JH2O2)))\n RCONST(212) = (WETFAC_KPP)\n RCONST(213) = (WETFAC_KPP)\n RCONST(214) = (WETFAC_KPP)\n RCONST(215) = (WETFAC_KPP)\n RCONST(216) = (WETFAC_KPP)\n RCONST(217) = (WETFAC_KPP)\n RCONST(218) = (WETFAC_KPP)\n RCONST(219) = (WETFAC_KPP)\n RCONST(220) = (WETFAC_KPP)\n RCONST(221) = (WETFAC_KPP)\n RCONST(222) = (WETFAC_KPP)\n RCONST(223) = (WETFAC_KPP)\n RCONST(224) = (WETFAC_KPP)\n RCONST(225) = (WETFAC_KPP)\n RCONST(226) = (WETFAC_KPP)\n RCONST(227) = (WETFAC_KPP)\n RCONST(228) = ((KMTF(0.05D0,1.D-5,62.0D0)))\n RCONST(229) = ((KMTF(0.05D0,1.35D-5,49.0D0)))\n RCONST(230) = ((KMTB(NO3H,0.05D0,1.D-5,62.0D0)))\n RCONST(231) = ((KMTB(CH3O2H,0.05D0,1.35D-5,49.0D0)))\n RCONST(232) = ((KPHOT(5.6D-7,-1.d0)))\n RCONST(261) = (WETFAC_KPP)\n RCONST(262) = (WETFAC_KPP)\n RCONST(263) = (WETFAC_KPP)\n RCONST(264) = (WETFAC_KPP)\n RCONST(265) = (WETFAC_KPP)\n RCONST(266) = (WETFAC_KPP)\n RCONST(267) = (WETFAC_KPP)\n RCONST(268) = (WETFAC_KPP)\n RCONST(269) = (WETFAC_KPP) \n \nEND SUBROUTINE Initialize\n\n! End of Initialize function\n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\n\n\nEND MODULE aqchem_Initialize\n\n" }, { "path": "CCTM/src/cloud/acm_ae7_kmt2/aqchem_Integrator.F90", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n! \n! Numerical Integrator (Time-Stepping) File\n! \n! Generated by KPP-2.2.3 symbolic chemistry Kinetics PreProcessor\n! (http://www.cs.vt.edu/~asandu/Software/KPP)\n! KPP is distributed under GPL, the general public licence\n! (http://www.gnu.org/copyleft/gpl.html)\n! (C) 1995-1997, V. Damian & A. Sandu, CGRER, Univ. Iowa\n! (C) 1997-2005, A. Sandu, Michigan Tech, Virginia Tech\n! With important contributions from:\n! M. Damian, Villanova University, USA\n! R. Sander, Max-Planck Institute for Chemistry, Mainz, Germany\n! \n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\n\n\n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n! \n! INTEGRATE - Integrator routine\n! Arguments :\n! TIN - Start Time for Integration\n! TOUT - End Time for Integration\n! \n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~!\n! Rosenbrock - Implementation of several Rosenbrock methods: !\n! * Ros2 !\n! * Ros3 !\n! * Ros4 !\n! * Rodas3 !\n! * Rodas4 !\n! By default the code employs the KPP sparse linear algebra routines !\n! Compile with -DFULL_ALGEBRA to use full linear algebra (LAPACK) !\n! !\n! (C) Adrian Sandu, August 2004 !\n! Virginia Polytechnic Institute and State University !\n! Contact: sandu@cs.vt.edu !\n! Revised by Philipp Miehe and Adrian Sandu, May 2006 ! !\n! This implementation is part of KPP - the Kinetic PreProcessor !\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~!\n\nMODULE aqchem_Integrator\n\n USE aqchem_Parameters, ONLY: NVAR, NFIX, NSPEC, LU_NONZERO\n USE aqchem_Global\n IMPLICIT NONE\n PUBLIC\n SAVE\n \n!~~~> Statistics on the work performed by the Rosenbrock method\n INTEGER, PARAMETER :: Nfun=1, Njac=2, Nstp=3, Nacc=4, &\n Nrej=5, Ndec=6, Nsol=7, Nsng=8, &\n Ntexit=1, Nhexit=2, Nhnew = 3\n\nCONTAINS\n\nSUBROUTINE INTEGRATE( TIN, TOUT, &\n ICNTRL_U, RCNTRL_U, ISTATUS_U, RSTATUS_U, IERR_U )\n\n IMPLICIT NONE\n\n REAL(kind=dp), INTENT(IN) :: TIN ! Start Time\n REAL(kind=dp), INTENT(IN) :: TOUT ! End Time\n ! Optional input parameters and statistics\n INTEGER, INTENT(IN), OPTIONAL :: ICNTRL_U(20)\n REAL(kind=dp), INTENT(IN), OPTIONAL :: RCNTRL_U(20)\n INTEGER, INTENT(OUT), OPTIONAL :: ISTATUS_U(20)\n REAL(kind=dp), INTENT(OUT), OPTIONAL :: RSTATUS_U(20)\n INTEGER, INTENT(OUT), OPTIONAL :: IERR_U\n\n REAL(kind=dp) :: RCNTRL(20), RSTATUS(20)\n INTEGER :: ICNTRL(20), ISTATUS(20), IERR\n\n INTEGER, SAVE :: Ntotal = 0\n\n ICNTRL(:) = 0\n RCNTRL(:) = 0.0_dp\n ISTATUS(:) = 0\n RSTATUS(:) = 0.0_dp\n\n !~~~> fine-tune the integrator:\n ICNTRL(1) = 0 ! 0 - non-autonomous, 1 - autonomous\n ICNTRL(2) = 0 ! 0 - vector tolerances, 1 - scalars\n\n ! If optional parameters are given, and if they are >0, \n ! then they overwrite default settings. \n IF (PRESENT(ICNTRL_U)) THEN\n WHERE(ICNTRL_U(:) > 0) ICNTRL(:) = ICNTRL_U(:)\n END IF\n IF (PRESENT(RCNTRL_U)) THEN\n WHERE(RCNTRL_U(:) > 0) RCNTRL(:) = RCNTRL_U(:)\n END IF\n\n\n CALL Rosenbrock(NVAR,VAR,TIN,TOUT, &\n ATOL,RTOL, &\n RCNTRL,ICNTRL,RSTATUS,ISTATUS,IERR)\n\n !~~~> Debug option: show no of steps\n ! Ntotal = Ntotal + ISTATUS(Nstp)\n ! PRINT*,'NSTEPS=',ISTATUS(Nstp),' (',Ntotal,')',' O3=', VAR(ind_O3)\n\n STEPMIN = RSTATUS(Nhexit)\n ! if optional parameters are given for output they \n ! are updated with the return information\n IF (PRESENT(ISTATUS_U)) ISTATUS_U(:) = ISTATUS(:)\n IF (PRESENT(RSTATUS_U)) RSTATUS_U(:) = RSTATUS(:)\n IF (PRESENT(IERR_U)) IERR_U = IERR\n\nEND SUBROUTINE INTEGRATE\n\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\nSUBROUTINE Rosenbrock(N,Y,Tstart,Tend, &\n AbsTol,RelTol, &\n RCNTRL,ICNTRL,RSTATUS,ISTATUS,IERR)\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n!\n! Solves the system y'=F(t,y) using a Rosenbrock method defined by:\n!\n! G = 1/(H*gamma(1)) - Jac(t0,Y0)\n! T_i = t0 + Alpha(i)*H\n! Y_i = Y0 + \\sum_{j=1}^{i-1} A(i,j)*K_j\n! G * K_i = Fun( T_i, Y_i ) + \\sum_{j=1}^S C(i,j)/H * K_j +\n! gamma(i)*dF/dT(t0, Y0)\n! Y1 = Y0 + \\sum_{j=1}^S M(j)*K_j\n!\n! For details on Rosenbrock methods and their implementation consult:\n! E. Hairer and G. Wanner\n! \"Solving ODEs II. Stiff and differential-algebraic problems\".\n! Springer series in computational mathematics, Springer-Verlag, 1996.\n! The codes contained in the book inspired this implementation.\n!\n! (C) Adrian Sandu, August 2004\n! Virginia Polytechnic Institute and State University\n! Contact: sandu@cs.vt.edu\n! Revised by Philipp Miehe and Adrian Sandu, May 2006 \n! This implementation is part of KPP - the Kinetic PreProcessor\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n!\n!~~~> INPUT ARGUMENTS:\n!\n!- Y(N) = vector of initial conditions (at T=Tstart)\n!- [Tstart,Tend] = time range of integration\n! (if Tstart>Tend the integration is performed backwards in time)\n!- RelTol, AbsTol = user precribed accuracy\n!- SUBROUTINE Fun( T, Y, Ydot ) = ODE function,\n! returns Ydot = Y' = F(T,Y)\n!- SUBROUTINE Jac( T, Y, Jcb ) = Jacobian of the ODE function,\n! returns Jcb = dFun/dY\n!- ICNTRL(1:20) = integer inputs parameters\n!- RCNTRL(1:20) = real inputs parameters\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n!\n!~~~> OUTPUT ARGUMENTS:\n!\n!- Y(N) -> vector of final states (at T->Tend)\n!- ISTATUS(1:20) -> integer output parameters\n!- RSTATUS(1:20) -> real output parameters\n!- IERR -> job status upon return\n! success (positive value) or\n! failure (negative value)\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n!\n!~~~> INPUT PARAMETERS:\n!\n! Note: For input parameters equal to zero the default values of the\n! corresponding variables are used.\n!\n! ICNTRL(1) = 1: F = F(y) Independent of T (AUTONOMOUS)\n! = 0: F = F(t,y) Depends on T (NON-AUTONOMOUS)\n!\n! ICNTRL(2) = 0: AbsTol, RelTol are N-dimensional vectors\n! = 1: AbsTol, RelTol are scalars\n!\n! ICNTRL(3) -> selection of a particular Rosenbrock method\n! = 0 : Rodas3 (default)\n! = 1 : Ros2\n! = 2 : Ros3\n! = 3 : Ros4\n! = 4 : Rodas3\n! = 5 : Rodas4\n!\n! ICNTRL(4) -> maximum number of integration steps\n! For ICNTRL(4)=0) the default value of 100000 is used\n!\n! RCNTRL(1) -> Hmin, lower bound for the integration step size\n! It is strongly recommended to keep Hmin = ZERO\n! RCNTRL(2) -> Hmax, upper bound for the integration step size\n! RCNTRL(3) -> Hstart, starting value for the integration step size\n!\n! RCNTRL(4) -> FacMin, lower bound on step decrease factor (default=0.2)\n! RCNTRL(5) -> FacMax, upper bound on step increase factor (default=6)\n! RCNTRL(6) -> FacRej, step decrease factor after multiple rejections\n! (default=0.1)\n! RCNTRL(7) -> FacSafe, by which the new step is slightly smaller\n! than the predicted value (default=0.9)\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n!\n!\n! OUTPUT ARGUMENTS:\n! -----------------\n!\n! T -> T value for which the solution has been computed\n! (after successful return T=Tend).\n!\n! Y(N) -> Numerical solution at T\n!\n! IDID -> Reports on successfulness upon return:\n! = 1 for success\n! < 0 for error (value equals error code)\n!\n! ISTATUS(1) -> No. of function calls\n! ISTATUS(2) -> No. of jacobian calls\n! ISTATUS(3) -> No. of steps\n! ISTATUS(4) -> No. of accepted steps\n! ISTATUS(5) -> No. of rejected steps (except at very beginning)\n! ISTATUS(6) -> No. of LU decompositions\n! ISTATUS(7) -> No. of forward/backward substitutions\n! ISTATUS(8) -> No. of singular matrix decompositions\n!\n! RSTATUS(1) -> Texit, the time corresponding to the\n! computed Y upon return\n! RSTATUS(2) -> Hexit, last accepted step before exit\n! RSTATUS(3) -> Hnew, last predicted step (not yet taken)\n! For multiple restarts, use Hnew as Hstart \n! in the subsequent run\n!\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\n USE aqchem_Parameters\n USE aqchem_LinearAlgebra\n IMPLICIT NONE\n\n!~~~> Arguments\n INTEGER, INTENT(IN) :: N\n REAL(kind=dp), INTENT(INOUT) :: Y(N)\n REAL(kind=dp), INTENT(IN) :: Tstart,Tend\n REAL(kind=dp), INTENT(IN) :: AbsTol(N),RelTol(N)\n INTEGER, INTENT(IN) :: ICNTRL(20)\n REAL(kind=dp), INTENT(IN) :: RCNTRL(20)\n INTEGER, INTENT(INOUT) :: ISTATUS(20)\n REAL(kind=dp), INTENT(INOUT) :: RSTATUS(20)\n INTEGER, INTENT(OUT) :: IERR\n!~~~> Parameters of the Rosenbrock method, up to 6 stages\n INTEGER :: ros_S, rosMethod\n INTEGER, PARAMETER :: RS2=1, RS3=2, RS4=3, RD3=4, RD4=5, RG3=6\n REAL(kind=dp) :: ros_A(15), ros_C(15), ros_M(6), ros_E(6), &\n ros_Alpha(6), ros_Gamma(6), ros_ELO\n LOGICAL :: ros_NewF(6)\n CHARACTER(LEN=12) :: ros_Name\n!~~~> Local variables\n REAL(kind=dp) :: Roundoff, FacMin, FacMax, FacRej, FacSafe\n REAL(kind=dp) :: Hmin, Hmax, Hstart\n REAL(kind=dp) :: Texit\n INTEGER :: i, UplimTol, Max_no_steps\n LOGICAL :: Autonomous, VectorTol\n!~~~> Parameters\n REAL(kind=dp), PARAMETER :: ZERO = 0.0_dp, ONE = 1.0_dp\n REAL(kind=dp), PARAMETER :: DeltaMin = 1.0E-5_dp\n\n!~~~> Initialize statistics\n ISTATUS(1:8) = 0\n RSTATUS(1:3) = ZERO\n\n!~~~> Autonomous or time dependent ODE. Default is time dependent.\n Autonomous = .NOT.(ICNTRL(1) == 0)\n\n!~~~> For Scalar tolerances (ICNTRL(2).NE.0) the code uses AbsTol(1) and RelTol(1)\n! For Vector tolerances (ICNTRL(2) == 0) the code uses AbsTol(1:N) and RelTol(1:N)\n IF (ICNTRL(2) == 0) THEN\n VectorTol = .TRUE.\n UplimTol = N\n ELSE\n VectorTol = .FALSE.\n UplimTol = 1\n END IF\n\n!~~~> Initialize the particular Rosenbrock method selected\n SELECT CASE (ICNTRL(3))\n CASE (1)\n CALL Ros2\n CASE (2)\n CALL Ros3\n CASE (3)\n CALL Ros4\n CASE (0,4)\n CALL Rodas3\n CASE (5)\n CALL Rodas4\n CASE (6)\n CALL Rang3\n CASE DEFAULT\n PRINT * , 'Unknown Rosenbrock method: ICNTRL(3)=',ICNTRL(3) \n CALL ros_ErrorMsg(-2,Tstart,ZERO,IERR)\n RETURN\n END SELECT\n\n!~~~> The maximum number of steps admitted\n IF (ICNTRL(4) == 0) THEN\n Max_no_steps = 200000\n ELSEIF (ICNTRL(4) > 0) THEN\n Max_no_steps=ICNTRL(4)\n ELSE\n PRINT * ,'User-selected max no. of steps: ICNTRL(4)=',ICNTRL(4)\n CALL ros_ErrorMsg(-1,Tstart,ZERO,IERR)\n RETURN\n END IF\n\n!~~~> Unit roundoff (1+Roundoff>1)\n Roundoff = WLAMCH('E')\n\n!~~~> Lower bound on the step size: (positive value)\n IF (RCNTRL(1) == ZERO) THEN\n Hmin = ZERO\n ELSEIF (RCNTRL(1) > ZERO) THEN\n Hmin = RCNTRL(1)\n ELSE\n PRINT * , 'User-selected Hmin: RCNTRL(1)=', RCNTRL(1)\n CALL ros_ErrorMsg(-3,Tstart,ZERO,IERR)\n RETURN\n END IF\n!~~~> Upper bound on the step size: (positive value)\n IF (RCNTRL(2) == ZERO) THEN\n Hmax = ABS(Tend-Tstart)\n ELSEIF (RCNTRL(2) > ZERO) THEN\n Hmax = MIN(ABS(RCNTRL(2)),ABS(Tend-Tstart))\n ELSE\n PRINT * , 'User-selected Hmax: RCNTRL(2)=', RCNTRL(2)\n CALL ros_ErrorMsg(-3,Tstart,ZERO,IERR)\n RETURN\n END IF\n!~~~> Starting step size: (positive value)\n IF (RCNTRL(3) == ZERO) THEN\n Hstart = MAX(Hmin,DeltaMin)\n ELSEIF (RCNTRL(3) > ZERO) THEN\n Hstart = MIN(ABS(RCNTRL(3)),ABS(Tend-Tstart))\n ELSE\n PRINT * , 'User-selected Hstart: RCNTRL(3)=', RCNTRL(3)\n CALL ros_ErrorMsg(-3,Tstart,ZERO,IERR)\n RETURN\n END IF\n!~~~> Step size can be changed s.t. FacMin < Hnew/Hold < FacMax\n IF (RCNTRL(4) == ZERO) THEN\n FacMin = 0.2_dp\n ELSEIF (RCNTRL(4) > ZERO) THEN\n FacMin = RCNTRL(4)\n ELSE\n PRINT * , 'User-selected FacMin: RCNTRL(4)=', RCNTRL(4)\n CALL ros_ErrorMsg(-4,Tstart,ZERO,IERR)\n RETURN\n END IF\n IF (RCNTRL(5) == ZERO) THEN\n FacMax = 6.0_dp\n ELSEIF (RCNTRL(5) > ZERO) THEN\n FacMax = RCNTRL(5)\n ELSE\n PRINT * , 'User-selected FacMax: RCNTRL(5)=', RCNTRL(5)\n CALL ros_ErrorMsg(-4,Tstart,ZERO,IERR)\n RETURN\n END IF\n!~~~> FacRej: Factor to decrease step after 2 succesive rejections\n IF (RCNTRL(6) == ZERO) THEN\n FacRej = 0.1_dp\n ELSEIF (RCNTRL(6) > ZERO) THEN\n FacRej = RCNTRL(6)\n ELSE\n PRINT * , 'User-selected FacRej: RCNTRL(6)=', RCNTRL(6)\n CALL ros_ErrorMsg(-4,Tstart,ZERO,IERR)\n RETURN\n END IF\n!~~~> FacSafe: Safety Factor in the computation of new step size\n IF (RCNTRL(7) == ZERO) THEN\n FacSafe = 0.9_dp\n ELSEIF (RCNTRL(7) > ZERO) THEN\n FacSafe = RCNTRL(7)\n ELSE\n PRINT * , 'User-selected FacSafe: RCNTRL(7)=', RCNTRL(7)\n CALL ros_ErrorMsg(-4,Tstart,ZERO,IERR)\n RETURN\n END IF\n!~~~> Check if tolerances are reasonable\n DO i=1,UplimTol\n IF ( (AbsTol(i) <= ZERO) .OR. (RelTol(i) <= 10.0_dp*Roundoff) &\n .OR. (RelTol(i) >= 1.0_dp) ) THEN\n PRINT * , ' AbsTol(',i,') = ',AbsTol(i)\n PRINT * , ' RelTol(',i,') = ',RelTol(i)\n CALL ros_ErrorMsg(-5,Tstart,ZERO,IERR)\n RETURN\n END IF\n END DO\n\n\n!~~~> CALL Rosenbrock method\n CALL ros_Integrator(Y, Tstart, Tend, Texit, &\n AbsTol, RelTol, &\n! Integration parameters\n Autonomous, VectorTol, Max_no_steps, &\n Roundoff, Hmin, Hmax, Hstart, &\n FacMin, FacMax, FacRej, FacSafe, &\n! Error indicator\n IERR)\n\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\nCONTAINS ! SUBROUTINES internal to Rosenbrock\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n \n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ \n SUBROUTINE ros_ErrorMsg(Code,T,H,IERR)\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ \n! Handles all error messages\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ \n \n USE UTILIO_DEFN\n \n REAL(kind=dp), INTENT(IN) :: T, H\n INTEGER, INTENT(IN) :: Code\n INTEGER, INTENT(OUT) :: IERR\n\n CHARACTER( 120 ) :: XMSG = ' ' ! Exit status message \n CHARACTER( 16 ), SAVE :: PNAME = 'AQCHEM_Integ'\n \n IERR = Code\n!kf PRINT * , &\n!kf 'Forced exit from Rosenbrock due to the following error:' \n \n SELECT CASE (Code)\n CASE (-1) \n!kf PRINT * , '--> Improper value for maximal no of steps' \n XMSG = 'Ros ERROR: Improper value for maximal no of steps'\n CASE (-2) \n!kf PRINT * , '--> Selected Rosenbrock method not implemented' \n XMSG = 'Ros ERROR: Selected Rosenbrock method not implemented'\n CASE (-3) \n!kf PRINT * , '--> Hmin/Hmax/Hstart must be positive' \n XMSG = 'Ros ERROR: Hmin/Hmax/Hstart must be positive'\n CASE (-4) \n!kf PRINT * , '--> FacMin/FacMax/FacRej must be positive' \n XMSG = 'Ros ERROR: FacMin/FacMax/FacRej must be positive'\n CASE (-5) \n!kf PRINT * , '--> Improper tolerance values' \n XMSG = 'Ros ERROR: Improper tolerance values'\n CASE (-6) \n!kf PRINT * , '--> No of steps exceeds maximum bound' \n XMSG = 'Ros ERROR: No of steps exceeds maximum bound'\n CASE (-7) \n!kf PRINT * , '--> Step size too small: T + 10*H = T', & \n!kf ' or H < Roundoff' \n XMSG = 'Ros ERROR: Step size too small' \n CASE (-8) \n!kf PRINT * , '--> Matrix is repeatedly singular' \n XMSG = 'Ros ERROR: Matrix is repeatedly singular'\n CASE DEFAULT\n!kf PRINT *, 'Unknown Error code: ', Code \n XMSG = 'Ros ERROR: Unknown Error code'\n END SELECT\n\n CALL M3EXIT ( PNAME, JDATEKPP, JTIMEKPP, XMSG, XSTAT2 ) \n!kf PRINT *, \"T=\", T, \"and H=\", H \n \n END SUBROUTINE ros_ErrorMsg\n\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n SUBROUTINE ros_Integrator (Y, Tstart, Tend, T, &\n AbsTol, RelTol, &\n!~~~> Integration parameters\n Autonomous, VectorTol, Max_no_steps, &\n Roundoff, Hmin, Hmax, Hstart, &\n FacMin, FacMax, FacRej, FacSafe, &\n!~~~> Error indicator\n IERR )\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n! Template for the implementation of a generic Rosenbrock method\n! defined by ros_S (no of stages)\n! and its coefficients ros_{A,C,M,E,Alpha,Gamma}\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\n IMPLICIT NONE\n\n!~~~> Input: the initial condition at Tstart; Output: the solution at T\n REAL(kind=dp), INTENT(INOUT) :: Y(N)\n!~~~> Input: integration interval\n REAL(kind=dp), INTENT(IN) :: Tstart,Tend\n!~~~> Output: time at which the solution is returned (T=Tend if success)\n REAL(kind=dp), INTENT(OUT) :: T\n!~~~> Input: tolerances\n REAL(kind=dp), INTENT(IN) :: AbsTol(N), RelTol(N)\n!~~~> Input: integration parameters\n LOGICAL, INTENT(IN) :: Autonomous, VectorTol\n REAL(kind=dp), INTENT(IN) :: Hstart, Hmin, Hmax\n INTEGER, INTENT(IN) :: Max_no_steps\n REAL(kind=dp), INTENT(IN) :: Roundoff, FacMin, FacMax, FacRej, FacSafe\n!~~~> Output: Error indicator\n INTEGER, INTENT(OUT) :: IERR\n! ~~~~ Local variables\n REAL(kind=dp) :: Ynew(N), Fcn0(N), Fcn(N)\n REAL(kind=dp) :: K(N*ros_S), dFdT(N)\n#ifdef FULL_ALGEBRA \n REAL(kind=dp) :: Jac0(N,N), Ghimj(N,N)\n#else\n REAL(kind=dp) :: Jac0(LU_NONZERO), Ghimj(LU_NONZERO)\n#endif\n REAL(kind=dp) :: H, Hnew, HC, HG, Fac, Tau\n REAL(kind=dp) :: Err, Yerr(N)\n INTEGER :: Pivot(N), Direction, ioffset, j, istage\n LOGICAL :: RejectLastH, RejectMoreH, Singular\n!~~~> Local parameters\n REAL(kind=dp), PARAMETER :: ZERO = 0.0_dp, ONE = 1.0_dp\n REAL(kind=dp), PARAMETER :: DeltaMin = 1.0E-5_dp\n!~~~> Locally called functions\n! REAL(kind=dp) WLAMCH\n! EXTERNAL WLAMCH\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ \n\n!~~~> Initial preparations\n T = Tstart\n RSTATUS(Nhexit) = ZERO\n H = MIN( MAX(ABS(Hmin),ABS(Hstart)) , ABS(Hmax) )\n IF (ABS(H) <= 10.0_dp*Roundoff) H = DeltaMin\n\n IF (Tend >= Tstart) THEN\n Direction = +1\n ELSE\n Direction = -1\n END IF\n H = Direction*H\n\n RejectLastH=.FALSE.\n RejectMoreH=.FALSE.\n\n!~~~> Time loop begins below\n\n!kfTimeLoop: DO WHILE ( (Direction > 0).AND.((T-Tend)+Roundoff <= ZERO) &\n!kf .OR. (Direction < 0).AND.((Tend-T)+Roundoff <= ZERO) )\n\nTimeLoop: DO WHILE ( ABS(T-Tend) >= Roundoff ) !kf Original loop criterion failed when \n !kf implemented in CMAQ (multiple processors). \n\n IF ( ISTATUS(Nstp) > Max_no_steps ) THEN ! Too many steps\n CALL ros_ErrorMsg(-6,T,H,IERR)\n RETURN\n END IF\n IF ( ((T+0.1_dp*H) == T).OR.(H <= Roundoff) ) THEN ! Step size too small\n CALL ros_ErrorMsg(-7,T,H,IERR)\n RETURN\n END IF\n\n!~~~> Limit H if necessary to avoid going beyond Tend\n H = MIN(H,ABS(Tend-T))\n\n!~~~> Compute the function at current time\n CALL FunTemplate(T,Y,Fcn0)\n ISTATUS(Nfun) = ISTATUS(Nfun) + 1\n\n!~~~> Compute the function derivative with respect to T\n IF (.NOT.Autonomous) THEN\n CALL ros_FunTimeDerivative ( T, Roundoff, Y, &\n Fcn0, dFdT )\n END IF\n\n!~~~> Compute the Jacobian at current time\n CALL JacTemplate(T,Y,Jac0)\n ISTATUS(Njac) = ISTATUS(Njac) + 1\n\n!~~~> Repeat step calculation until current step accepted\nUntilAccepted: DO\n\n CALL ros_PrepareMatrix(H,Direction,ros_Gamma(1), &\n Jac0,Ghimj,Pivot,Singular)\n IF (Singular) THEN ! More than 5 consecutive failed decompositions\n CALL ros_ErrorMsg(-8,T,H,IERR)\n RETURN\n END IF\n\n!~~~> Compute the stages\nStage: DO istage = 1, ros_S\n\n ! Current istage offset. Current istage vector is K(ioffset+1:ioffset+N)\n ioffset = N*(istage-1)\n\n ! For the 1st istage the function has been computed previously\n IF ( istage == 1 ) THEN\n !slim: CALL WCOPY(N,Fcn0,1,Fcn,1)\n Fcn(1:N) = Fcn0(1:N)\n ! istage>1 and a new function evaluation is needed at the current istage\n ELSEIF ( ros_NewF(istage) ) THEN\n !slim: CALL WCOPY(N,Y,1,Ynew,1)\n Ynew(1:N) = Y(1:N)\n DO j = 1, istage-1\n CALL WAXPY(N,ros_A((istage-1)*(istage-2)/2+j), &\n K(N*(j-1)+1),1,Ynew,1)\n END DO\n Tau = T + ros_Alpha(istage)*Direction*H\n CALL FunTemplate(Tau,Ynew,Fcn)\n ISTATUS(Nfun) = ISTATUS(Nfun) + 1\n END IF ! if istage == 1 elseif ros_NewF(istage)\n !slim: CALL WCOPY(N,Fcn,1,K(ioffset+1),1)\n K(ioffset+1:ioffset+N) = Fcn(1:N)\n DO j = 1, istage-1\n HC = ros_C((istage-1)*(istage-2)/2+j)/(Direction*H)\n CALL WAXPY(N,HC,K(N*(j-1)+1),1,K(ioffset+1),1)\n END DO\n IF ((.NOT. Autonomous).AND.(ros_Gamma(istage).NE.ZERO)) THEN\n HG = Direction*H*ros_Gamma(istage)\n CALL WAXPY(N,HG,dFdT,1,K(ioffset+1),1)\n END IF\n CALL ros_Solve(Ghimj, Pivot, K(ioffset+1))\n\n END DO Stage\n\n\n!~~~> Compute the new solution\n !slim: CALL WCOPY(N,Y,1,Ynew,1)\n Ynew(1:N) = Y(1:N)\n DO j=1,ros_S\n CALL WAXPY(N,ros_M(j),K(N*(j-1)+1),1,Ynew,1)\n END DO\n\n!~~~> Compute the error estimation\n !slim: CALL WSCAL(N,ZERO,Yerr,1)\n Yerr(1:N) = ZERO\n DO j=1,ros_S\n CALL WAXPY(N,ros_E(j),K(N*(j-1)+1),1,Yerr,1)\n END DO\n Err = ros_ErrorNorm ( Y, Ynew, Yerr, AbsTol, RelTol, VectorTol )\n\n!~~~> New step size is bounded by FacMin <= Hnew/H <= FacMax\n Fac = MIN(FacMax,MAX(FacMin,FacSafe/Err**(ONE/ros_ELO)))\n Hnew = H*Fac\n\n!~~~> Check the error magnitude and adjust step size\n ISTATUS(Nstp) = ISTATUS(Nstp) + 1\n IF ( (Err <= ONE).OR.(H <= Hmin) ) THEN !~~~> Accept step\n ISTATUS(Nacc) = ISTATUS(Nacc) + 1\n !slim: CALL WCOPY(N,Ynew,1,Y,1)\n! DO j = 1,N\n! Y(j) = MAX(Ynew(j),ZERO) ! posdef \n! END DO\n Y(1:N) = Ynew(1:N)\n T = T + Direction*H\n Hnew = MAX(Hmin,MIN(Hnew,Hmax))\n IF (RejectLastH) THEN ! No step size increase after a rejected step\n Hnew = MIN(Hnew,H)\n END IF\n RSTATUS(Nhexit) = H\n RSTATUS(Nhnew) = Hnew\n RSTATUS(Ntexit) = T\n RejectLastH = .FALSE.\n RejectMoreH = .FALSE.\n H = Hnew\n EXIT UntilAccepted ! EXIT THE LOOP: WHILE STEP NOT ACCEPTED\n ELSE !~~~> Reject step\n IF (RejectMoreH) THEN\n Hnew = H*FacRej\n END IF\n RejectMoreH = RejectLastH\n RejectLastH = .TRUE.\n H = Hnew\n IF (ISTATUS(Nacc) >= 1) ISTATUS(Nrej) = ISTATUS(Nrej) + 1\n END IF ! Err <= 1\n\n END DO UntilAccepted\n\n END DO TimeLoop\n\n!~~~> Succesful exit\n IERR = 1 !~~~> The integration was successful\n\n END SUBROUTINE ros_Integrator\n\n\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n REAL(kind=dp) FUNCTION ros_ErrorNorm ( Y, Ynew, Yerr, &\n AbsTol, RelTol, VectorTol )\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n!~~~> Computes the \"scaled norm\" of the error vector Yerr\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n IMPLICIT NONE\n\n! Input arguments\n REAL(kind=dp), INTENT(IN) :: Y(N), Ynew(N), &\n Yerr(N), AbsTol(N), RelTol(N)\n LOGICAL, INTENT(IN) :: VectorTol\n! Local variables\n REAL(kind=dp) :: Err, Scale, Ymax\n INTEGER :: i\n REAL(kind=dp), PARAMETER :: ZERO = 0.0_dp\n\n Err = ZERO\n DO i=1,N\n Ymax = MAX(ABS(Y(i)),ABS(Ynew(i)))\n IF (VectorTol) THEN\n Scale = AbsTol(i)+RelTol(i)*Ymax\n ELSE\n Scale = AbsTol(1)+RelTol(1)*Ymax\n END IF\n Err = Err+(Yerr(i)/Scale)**2\n END DO\n Err = SQRT(Err/N)\n\n ros_ErrorNorm = MAX(Err,1.0d-10)\n\n END FUNCTION ros_ErrorNorm\n\n\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n SUBROUTINE ros_FunTimeDerivative ( T, Roundoff, Y, &\n Fcn0, dFdT )\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n!~~~> The time partial derivative of the function by finite differences\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n IMPLICIT NONE\n\n!~~~> Input arguments\n REAL(kind=dp), INTENT(IN) :: T, Roundoff, Y(N), Fcn0(N)\n!~~~> Output arguments\n REAL(kind=dp), INTENT(OUT) :: dFdT(N)\n!~~~> Local variables\n REAL(kind=dp) :: Delta\n REAL(kind=dp), PARAMETER :: ONE = 1.0_dp, DeltaMin = 1.0E-6_dp\n\n Delta = SQRT(Roundoff)*MAX(DeltaMin,ABS(T))\n CALL FunTemplate(T+Delta,Y,dFdT)\n ISTATUS(Nfun) = ISTATUS(Nfun) + 1\n CALL WAXPY(N,(-ONE),Fcn0,1,dFdT,1)\n CALL WSCAL(N,(ONE/Delta),dFdT,1)\n\n END SUBROUTINE ros_FunTimeDerivative\n\n\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n SUBROUTINE ros_PrepareMatrix ( H, Direction, gam, &\n Jac0, Ghimj, Pivot, Singular )\n! --- --- --- --- --- --- --- --- --- --- --- --- ---\n! Prepares the LHS matrix for stage calculations\n! 1. Construct Ghimj = 1/(H*ham) - Jac0\n! \"(Gamma H) Inverse Minus Jacobian\"\n! 2. Repeat LU decomposition of Ghimj until successful.\n! -half the step size if LU decomposition fails and retry\n! -exit after 5 consecutive fails\n! --- --- --- --- --- --- --- --- --- --- --- --- ---\n IMPLICIT NONE\n\n!~~~> Input arguments\n#ifdef FULL_ALGEBRA \n REAL(kind=dp), INTENT(IN) :: Jac0(N,N)\n#else\n REAL(kind=dp), INTENT(IN) :: Jac0(LU_NONZERO)\n#endif \n REAL(kind=dp), INTENT(IN) :: gam\n INTEGER, INTENT(IN) :: Direction\n!~~~> Output arguments\n#ifdef FULL_ALGEBRA \n REAL(kind=dp), INTENT(OUT) :: Ghimj(N,N)\n#else\n REAL(kind=dp), INTENT(OUT) :: Ghimj(LU_NONZERO)\n#endif \n LOGICAL, INTENT(OUT) :: Singular\n INTEGER, INTENT(OUT) :: Pivot(N)\n!~~~> Inout arguments\n REAL(kind=dp), INTENT(INOUT) :: H ! step size is decreased when LU fails\n!~~~> Local variables\n INTEGER :: i, ISING, Nconsecutive\n REAL(kind=dp) :: ghinv\n REAL(kind=dp), PARAMETER :: ONE = 1.0_dp, HALF = 0.5_dp\n\n Nconsecutive = 0\n Singular = .TRUE.\n\n DO WHILE (Singular)\n\n!~~~> Construct Ghimj = 1/(H*gam) - Jac0\n#ifdef FULL_ALGEBRA \n !slim: CALL WCOPY(N*N,Jac0,1,Ghimj,1)\n !slim: CALL WSCAL(N*N,(-ONE),Ghimj,1)\n Ghimj = -Jac0\n ghinv = ONE/(Direction*H*gam)\n DO i=1,N\n Ghimj(i,i) = Ghimj(i,i)+ghinv\n END DO\n#else\n !slim: CALL WCOPY(LU_NONZERO,Jac0,1,Ghimj,1)\n !slim: CALL WSCAL(LU_NONZERO,(-ONE),Ghimj,1)\n Ghimj(1:LU_NONZERO) = -Jac0(1:LU_NONZERO)\n ghinv = ONE/(Direction*H*gam)\n DO i=1,N\n Ghimj(LU_DIAG(i)) = Ghimj(LU_DIAG(i))+ghinv\n END DO\n#endif \n!~~~> Compute LU decomposition\n CALL ros_Decomp( Ghimj, Pivot, ISING )\n IF (ISING == 0) THEN\n!~~~> If successful done\n Singular = .FALSE.\n ELSE ! ISING .ne. 0\n!~~~> If unsuccessful half the step size; if 5 consecutive fails then return\n ISTATUS(Nsng) = ISTATUS(Nsng) + 1\n Nconsecutive = Nconsecutive+1\n Singular = .TRUE.\n PRINT*,'Warning: LU Decomposition returned ISING = ',ISING\n IF (Nconsecutive <= 5) THEN ! Less than 5 consecutive failed decompositions\n H = H*HALF\n ELSE ! More than 5 consecutive failed decompositions\n RETURN\n END IF ! Nconsecutive\n END IF ! ISING\n\n END DO ! WHILE Singular\n\n END SUBROUTINE ros_PrepareMatrix\n\n\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n SUBROUTINE ros_Decomp( A, Pivot, ISING )\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n! Template for the LU decomposition\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n IMPLICIT NONE\n!~~~> Inout variables\n#ifdef FULL_ALGEBRA \n REAL(kind=dp), INTENT(INOUT) :: A(N,N)\n#else \n REAL(kind=dp), INTENT(INOUT) :: A(LU_NONZERO)\n#endif\n!~~~> Output variables\n INTEGER, INTENT(OUT) :: Pivot(N), ISING\n\n#ifdef FULL_ALGEBRA \n CALL DGETRF( N, N, A, N, Pivot, ISING )\n#else \n CALL KppDecomp ( A, ISING )\n Pivot(1) = 1\n#endif\n ISTATUS(Ndec) = ISTATUS(Ndec) + 1\n\n END SUBROUTINE ros_Decomp\n\n\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n SUBROUTINE ros_Solve( A, Pivot, b )\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n! Template for the forward/backward substitution (using pre-computed LU decomposition)\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n IMPLICIT NONE\n!~~~> Input variables\n#ifdef FULL_ALGEBRA \n REAL(kind=dp), INTENT(IN) :: A(N,N)\n INTEGER :: ISING\n#else \n REAL(kind=dp), INTENT(IN) :: A(LU_NONZERO)\n#endif\n INTEGER, INTENT(IN) :: Pivot(N)\n!~~~> InOut variables\n REAL(kind=dp), INTENT(INOUT) :: b(N)\n\n#ifdef FULL_ALGEBRA \n CALL DGETRS( 'N', N , 1, A, N, Pivot, b, N, ISING )\n IF ( Info < 0 ) THEN\n PRINT*,\"Error in DGETRS. ISING=\",ISING\n END IF \n#else \n CALL KppSolve( A, b )\n#endif\n\n ISTATUS(Nsol) = ISTATUS(Nsol) + 1\n\n END SUBROUTINE ros_Solve\n\n\n\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n SUBROUTINE Ros2\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n! --- AN L-STABLE METHOD, 2 stages, order 2\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\n IMPLICIT NONE\n DOUBLE PRECISION g\n\n g = 1.0_dp + 1.0_dp/SQRT(2.0_dp)\n rosMethod = RS2\n!~~~> Name of the method\n ros_Name = 'ROS-2'\n!~~~> Number of stages\n ros_S = 2\n\n!~~~> The coefficient matrices A and C are strictly lower triangular.\n! The lower triangular (subdiagonal) elements are stored in row-wise order:\n! A(2,1) = ros_A(1), A(3,1)=ros_A(2), A(3,2)=ros_A(3), etc.\n! The general mapping formula is:\n! A(i,j) = ros_A( (i-1)*(i-2)/2 + j )\n! C(i,j) = ros_C( (i-1)*(i-2)/2 + j )\n\n ros_A(1) = (1.0_dp)/g\n ros_C(1) = (-2.0_dp)/g\n!~~~> Does the stage i require a new function evaluation (ros_NewF(i)=TRUE)\n! or does it re-use the function evaluation from stage i-1 (ros_NewF(i)=FALSE)\n ros_NewF(1) = .TRUE.\n ros_NewF(2) = .TRUE.\n!~~~> M_i = Coefficients for new step solution\n ros_M(1)= (3.0_dp)/(2.0_dp*g)\n ros_M(2)= (1.0_dp)/(2.0_dp*g)\n! E_i = Coefficients for error estimator\n ros_E(1) = 1.0_dp/(2.0_dp*g)\n ros_E(2) = 1.0_dp/(2.0_dp*g)\n!~~~> ros_ELO = estimator of local order - the minimum between the\n! main and the embedded scheme orders plus one\n ros_ELO = 2.0_dp\n!~~~> Y_stage_i ~ Y( T + H*Alpha_i )\n ros_Alpha(1) = 0.0_dp\n ros_Alpha(2) = 1.0_dp\n!~~~> Gamma_i = \\sum_j gamma_{i,j}\n ros_Gamma(1) = g\n ros_Gamma(2) =-g\n\n END SUBROUTINE Ros2\n\n\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n SUBROUTINE Ros3\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n! --- AN L-STABLE METHOD, 3 stages, order 3, 2 function evaluations\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\n IMPLICIT NONE\n rosMethod = RS3\n!~~~> Name of the method\n ros_Name = 'ROS-3'\n!~~~> Number of stages\n ros_S = 3\n\n!~~~> The coefficient matrices A and C are strictly lower triangular.\n! The lower triangular (subdiagonal) elements are stored in row-wise order:\n! A(2,1) = ros_A(1), A(3,1)=ros_A(2), A(3,2)=ros_A(3), etc.\n! The general mapping formula is:\n! A(i,j) = ros_A( (i-1)*(i-2)/2 + j )\n! C(i,j) = ros_C( (i-1)*(i-2)/2 + j )\n\n ros_A(1)= 1.0_dp\n ros_A(2)= 1.0_dp\n ros_A(3)= 0.0_dp\n\n ros_C(1) = -0.10156171083877702091975600115545E+01_dp\n ros_C(2) = 0.40759956452537699824805835358067E+01_dp\n ros_C(3) = 0.92076794298330791242156818474003E+01_dp\n!~~~> Does the stage i require a new function evaluation (ros_NewF(i)=TRUE)\n! or does it re-use the function evaluation from stage i-1 (ros_NewF(i)=FALSE)\n ros_NewF(1) = .TRUE.\n ros_NewF(2) = .TRUE.\n ros_NewF(3) = .FALSE.\n!~~~> M_i = Coefficients for new step solution\n ros_M(1) = 0.1E+01_dp\n ros_M(2) = 0.61697947043828245592553615689730E+01_dp\n ros_M(3) = -0.42772256543218573326238373806514_dp\n! E_i = Coefficients for error estimator\n ros_E(1) = 0.5_dp\n ros_E(2) = -0.29079558716805469821718236208017E+01_dp\n ros_E(3) = 0.22354069897811569627360909276199_dp\n!~~~> ros_ELO = estimator of local order - the minimum between the\n! main and the embedded scheme orders plus 1\n ros_ELO = 3.0_dp\n!~~~> Y_stage_i ~ Y( T + H*Alpha_i )\n ros_Alpha(1)= 0.0_dp\n ros_Alpha(2)= 0.43586652150845899941601945119356_dp\n ros_Alpha(3)= 0.43586652150845899941601945119356_dp\n!~~~> Gamma_i = \\sum_j gamma_{i,j}\n ros_Gamma(1)= 0.43586652150845899941601945119356_dp\n ros_Gamma(2)= 0.24291996454816804366592249683314_dp\n ros_Gamma(3)= 0.21851380027664058511513169485832E+01_dp\n\n END SUBROUTINE Ros3\n\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\n\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n SUBROUTINE Ros4\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n! L-STABLE ROSENBROCK METHOD OF ORDER 4, WITH 4 STAGES\n! L-STABLE EMBEDDED ROSENBROCK METHOD OF ORDER 3\n!\n! E. HAIRER AND G. WANNER, SOLVING ORDINARY DIFFERENTIAL\n! EQUATIONS II. STIFF AND DIFFERENTIAL-ALGEBRAIC PROBLEMS.\n! SPRINGER SERIES IN COMPUTATIONAL MATHEMATICS,\n! SPRINGER-VERLAG (1990)\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\n IMPLICIT NONE\n\n rosMethod = RS4\n!~~~> Name of the method\n ros_Name = 'ROS-4'\n!~~~> Number of stages\n ros_S = 4\n\n!~~~> The coefficient matrices A and C are strictly lower triangular.\n! The lower triangular (subdiagonal) elements are stored in row-wise order:\n! A(2,1) = ros_A(1), A(3,1)=ros_A(2), A(3,2)=ros_A(3), etc.\n! The general mapping formula is:\n! A(i,j) = ros_A( (i-1)*(i-2)/2 + j )\n! C(i,j) = ros_C( (i-1)*(i-2)/2 + j )\n\n ros_A(1) = 0.2000000000000000E+01_dp\n ros_A(2) = 0.1867943637803922E+01_dp\n ros_A(3) = 0.2344449711399156_dp\n ros_A(4) = ros_A(2)\n ros_A(5) = ros_A(3)\n ros_A(6) = 0.0_dp\n\n ros_C(1) =-0.7137615036412310E+01_dp\n ros_C(2) = 0.2580708087951457E+01_dp\n ros_C(3) = 0.6515950076447975_dp\n ros_C(4) =-0.2137148994382534E+01_dp\n ros_C(5) =-0.3214669691237626_dp\n ros_C(6) =-0.6949742501781779_dp\n!~~~> Does the stage i require a new function evaluation (ros_NewF(i)=TRUE)\n! or does it re-use the function evaluation from stage i-1 (ros_NewF(i)=FALSE)\n ros_NewF(1) = .TRUE.\n ros_NewF(2) = .TRUE.\n ros_NewF(3) = .TRUE.\n ros_NewF(4) = .FALSE.\n!~~~> M_i = Coefficients for new step solution\n ros_M(1) = 0.2255570073418735E+01_dp\n ros_M(2) = 0.2870493262186792_dp\n ros_M(3) = 0.4353179431840180_dp\n ros_M(4) = 0.1093502252409163E+01_dp\n!~~~> E_i = Coefficients for error estimator\n ros_E(1) =-0.2815431932141155_dp\n ros_E(2) =-0.7276199124938920E-01_dp\n ros_E(3) =-0.1082196201495311_dp\n ros_E(4) =-0.1093502252409163E+01_dp\n!~~~> ros_ELO = estimator of local order - the minimum between the\n! main and the embedded scheme orders plus 1\n ros_ELO = 4.0_dp\n!~~~> Y_stage_i ~ Y( T + H*Alpha_i )\n ros_Alpha(1) = 0.0_dp\n ros_Alpha(2) = 0.1145640000000000E+01_dp\n ros_Alpha(3) = 0.6552168638155900_dp\n ros_Alpha(4) = ros_Alpha(3)\n!~~~> Gamma_i = \\sum_j gamma_{i,j}\n ros_Gamma(1) = 0.5728200000000000_dp\n ros_Gamma(2) =-0.1769193891319233E+01_dp\n ros_Gamma(3) = 0.7592633437920482_dp\n ros_Gamma(4) =-0.1049021087100450_dp\n\n END SUBROUTINE Ros4\n\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n SUBROUTINE Rodas3\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n! --- A STIFFLY-STABLE METHOD, 4 stages, order 3\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\n IMPLICIT NONE\n\n rosMethod = RD3\n!~~~> Name of the method\n ros_Name = 'RODAS-3'\n!~~~> Number of stages\n ros_S = 4\n\n!~~~> The coefficient matrices A and C are strictly lower triangular.\n! The lower triangular (subdiagonal) elements are stored in row-wise order:\n! A(2,1) = ros_A(1), A(3,1)=ros_A(2), A(3,2)=ros_A(3), etc.\n! The general mapping formula is:\n! A(i,j) = ros_A( (i-1)*(i-2)/2 + j )\n! C(i,j) = ros_C( (i-1)*(i-2)/2 + j )\n\n ros_A(1) = 0.0_dp\n ros_A(2) = 2.0_dp\n ros_A(3) = 0.0_dp\n ros_A(4) = 2.0_dp\n ros_A(5) = 0.0_dp\n ros_A(6) = 1.0_dp\n\n ros_C(1) = 4.0_dp\n ros_C(2) = 1.0_dp\n ros_C(3) =-1.0_dp\n ros_C(4) = 1.0_dp\n ros_C(5) =-1.0_dp\n ros_C(6) =-(8.0_dp/3.0_dp)\n\n!~~~> Does the stage i require a new function evaluation (ros_NewF(i)=TRUE)\n! or does it re-use the function evaluation from stage i-1 (ros_NewF(i)=FALSE)\n ros_NewF(1) = .TRUE.\n ros_NewF(2) = .FALSE.\n ros_NewF(3) = .TRUE.\n ros_NewF(4) = .TRUE.\n!~~~> M_i = Coefficients for new step solution\n ros_M(1) = 2.0_dp\n ros_M(2) = 0.0_dp\n ros_M(3) = 1.0_dp\n ros_M(4) = 1.0_dp\n!~~~> E_i = Coefficients for error estimator\n ros_E(1) = 0.0_dp\n ros_E(2) = 0.0_dp\n ros_E(3) = 0.0_dp\n ros_E(4) = 1.0_dp\n!~~~> ros_ELO = estimator of local order - the minimum between the\n! main and the embedded scheme orders plus 1\n ros_ELO = 3.0_dp\n!~~~> Y_stage_i ~ Y( T + H*Alpha_i )\n ros_Alpha(1) = 0.0_dp\n ros_Alpha(2) = 0.0_dp\n ros_Alpha(3) = 1.0_dp\n ros_Alpha(4) = 1.0_dp\n!~~~> Gamma_i = \\sum_j gamma_{i,j}\n ros_Gamma(1) = 0.5_dp\n ros_Gamma(2) = 1.5_dp\n ros_Gamma(3) = 0.0_dp\n ros_Gamma(4) = 0.0_dp\n\n END SUBROUTINE Rodas3\n\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n SUBROUTINE Rodas4\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n! STIFFLY-STABLE ROSENBROCK METHOD OF ORDER 4, WITH 6 STAGES\n!\n! E. HAIRER AND G. WANNER, SOLVING ORDINARY DIFFERENTIAL\n! EQUATIONS II. STIFF AND DIFFERENTIAL-ALGEBRAIC PROBLEMS.\n! SPRINGER SERIES IN COMPUTATIONAL MATHEMATICS,\n! SPRINGER-VERLAG (1996)\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\n IMPLICIT NONE\n\n rosMethod = RD4\n!~~~> Name of the method\n ros_Name = 'RODAS-4'\n!~~~> Number of stages\n ros_S = 6\n\n!~~~> Y_stage_i ~ Y( T + H*Alpha_i )\n ros_Alpha(1) = 0.000_dp\n ros_Alpha(2) = 0.386_dp\n ros_Alpha(3) = 0.210_dp\n ros_Alpha(4) = 0.630_dp\n ros_Alpha(5) = 1.000_dp\n ros_Alpha(6) = 1.000_dp\n\n!~~~> Gamma_i = \\sum_j gamma_{i,j}\n ros_Gamma(1) = 0.2500000000000000_dp\n ros_Gamma(2) =-0.1043000000000000_dp\n ros_Gamma(3) = 0.1035000000000000_dp\n ros_Gamma(4) =-0.3620000000000023E-01_dp\n ros_Gamma(5) = 0.0_dp\n ros_Gamma(6) = 0.0_dp\n\n!~~~> The coefficient matrices A and C are strictly lower triangular.\n! The lower triangular (subdiagonal) elements are stored in row-wise order:\n! A(2,1) = ros_A(1), A(3,1)=ros_A(2), A(3,2)=ros_A(3), etc.\n! The general mapping formula is: A(i,j) = ros_A( (i-1)*(i-2)/2 + j )\n! C(i,j) = ros_C( (i-1)*(i-2)/2 + j )\n\n ros_A(1) = 0.1544000000000000E+01_dp\n ros_A(2) = 0.9466785280815826_dp\n ros_A(3) = 0.2557011698983284_dp\n ros_A(4) = 0.3314825187068521E+01_dp\n ros_A(5) = 0.2896124015972201E+01_dp\n ros_A(6) = 0.9986419139977817_dp\n ros_A(7) = 0.1221224509226641E+01_dp\n ros_A(8) = 0.6019134481288629E+01_dp\n ros_A(9) = 0.1253708332932087E+02_dp\n ros_A(10) =-0.6878860361058950_dp\n ros_A(11) = ros_A(7)\n ros_A(12) = ros_A(8)\n ros_A(13) = ros_A(9)\n ros_A(14) = ros_A(10)\n ros_A(15) = 1.0_dp\n\n ros_C(1) =-0.5668800000000000E+01_dp\n ros_C(2) =-0.2430093356833875E+01_dp\n ros_C(3) =-0.2063599157091915_dp\n ros_C(4) =-0.1073529058151375_dp\n ros_C(5) =-0.9594562251023355E+01_dp\n ros_C(6) =-0.2047028614809616E+02_dp\n ros_C(7) = 0.7496443313967647E+01_dp\n ros_C(8) =-0.1024680431464352E+02_dp\n ros_C(9) =-0.3399990352819905E+02_dp\n ros_C(10) = 0.1170890893206160E+02_dp\n ros_C(11) = 0.8083246795921522E+01_dp\n ros_C(12) =-0.7981132988064893E+01_dp\n ros_C(13) =-0.3152159432874371E+02_dp\n ros_C(14) = 0.1631930543123136E+02_dp\n ros_C(15) =-0.6058818238834054E+01_dp\n\n!~~~> M_i = Coefficients for new step solution\n ros_M(1) = ros_A(7)\n ros_M(2) = ros_A(8)\n ros_M(3) = ros_A(9)\n ros_M(4) = ros_A(10)\n ros_M(5) = 1.0_dp\n ros_M(6) = 1.0_dp\n\n!~~~> E_i = Coefficients for error estimator\n ros_E(1) = 0.0_dp\n ros_E(2) = 0.0_dp\n ros_E(3) = 0.0_dp\n ros_E(4) = 0.0_dp\n ros_E(5) = 0.0_dp\n ros_E(6) = 1.0_dp\n\n!~~~> Does the stage i require a new function evaluation (ros_NewF(i)=TRUE)\n! or does it re-use the function evaluation from stage i-1 (ros_NewF(i)=FALSE)\n ros_NewF(1) = .TRUE.\n ros_NewF(2) = .TRUE.\n ros_NewF(3) = .TRUE.\n ros_NewF(4) = .TRUE.\n ros_NewF(5) = .TRUE.\n ros_NewF(6) = .TRUE.\n\n!~~~> ros_ELO = estimator of local order - the minimum between the\n! main and the embedded scheme orders plus 1\n ros_ELO = 4.0_dp\n\n END SUBROUTINE Rodas4\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n SUBROUTINE Rang3\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n! STIFFLY-STABLE W METHOD OF ORDER 3, WITH 4 STAGES\n!\n! J. RANG and L. ANGERMANN\n! NEW ROSENBROCK W-METHODS OF ORDER 3\n! FOR PARTIAL DIFFERENTIAL ALGEBRAIC\n! EQUATIONS OF INDEX 1 \n! BIT Numerical Mathematics (2005) 45: 761-787\n! DOI: 10.1007/s10543-005-0035-y\n! Table 4.1-4.2\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\n IMPLICIT NONE\n\n rosMethod = RG3\n!~~~> Name of the method\n ros_Name = 'RANG-3'\n!~~~> Number of stages\n ros_S = 4\n\n ros_A(1) = 5.09052051067020d+00;\n ros_A(2) = 5.09052051067020d+00;\n ros_A(3) = 0.0d0;\n ros_A(4) = 4.97628111010787d+00;\n ros_A(5) = 2.77268164715849d-02;\n ros_A(6) = 2.29428036027904d-01;\n\n ros_C(1) = -1.16790812312283d+01;\n ros_C(2) = -1.64057326467367d+01;\n ros_C(3) = -2.77268164715850d-01;\n ros_C(4) = -8.38103960500476d+00;\n ros_C(5) = -8.48328409199343d-01;\n ros_C(6) = 2.87009860433106d-01;\n\n ros_M(1) = 5.22582761233094d+00;\n ros_M(2) = -5.56971148154165d-01;\n ros_M(3) = 3.57979469353645d-01;\n ros_M(4) = 1.72337398521064d+00;\n\n ros_E(1) = -5.16845212784040d+00;\n ros_E(2) = -1.26351942603842d+00;\n ros_E(3) = -1.11022302462516d-16;\n ros_E(4) = 2.22044604925031d-16;\n\n ros_Alpha(1) = 0.0d00;\n ros_Alpha(2) = 2.21878746765329d+00;\n ros_Alpha(3) = 2.21878746765329d+00;\n ros_Alpha(4) = 1.55392337535788d+00;\n\n ros_Gamma(1) = 4.35866521508459d-01;\n ros_Gamma(2) = -1.78292094614483d+00;\n ros_Gamma(3) = -2.46541900496934d+00;\n ros_Gamma(4) = -8.05529997906370d-01;\n\n\n!~~~> Does the stage i require a new function evaluation (ros_NewF(i)=TRUE)\n! or does it re-use the function evaluation from stage i-1 (ros_NewF(i)=FALSE)\n ros_NewF(1) = .TRUE.\n ros_NewF(2) = .TRUE.\n ros_NewF(3) = .TRUE.\n ros_NewF(4) = .TRUE.\n\n!~~~> ros_ELO = estimator of local order - the minimum between the\n! main and the embedded scheme orders plus 1\n ros_ELO = 3.0_dp\n\n END SUBROUTINE Rang3\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n! End of the set of internal Rosenbrock subroutines\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\nEND SUBROUTINE Rosenbrock\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\n\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\nSUBROUTINE FunTemplate( T, Y, Ydot )\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n! Template for the ODE function call.\n! Updates the rate coefficients (and possibly the fixed species) at each call\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n USE aqchem_Parameters, ONLY: NVAR, LU_NONZERO\n USE aqchem_Global, ONLY: FIX, RCONST, TIME\n USE aqchem_Function, ONLY: Fun\n USE aqchem_Rates, ONLY: Update_SUN, Update_RCONST\n!~~~> Input variables\n REAL(kind=dp) :: T, Y(NVAR)\n!~~~> Output variables\n REAL(kind=dp) :: Ydot(NVAR)\n!~~~> Local variables\n REAL(kind=dp) :: Told\n\n Told = TIME\n TIME = T\n CALL Update_SUN()\n CALL Update_RCONST()\n CALL Fun( Y, FIX, RCONST, Ydot )\n TIME = Told\n\nEND SUBROUTINE FunTemplate\n\n\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\nSUBROUTINE JacTemplate( T, Y, Jcb )\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n! Template for the ODE Jacobian call.\n! Updates the rate coefficients (and possibly the fixed species) at each call\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n USE aqchem_Parameters, ONLY: NVAR, LU_NONZERO\n USE aqchem_Global, ONLY: FIX, RCONST, TIME\n USE aqchem_Jacobian, ONLY: Jac_SP, LU_IROW, LU_ICOL\n USE aqchem_LinearAlgebra\n USE aqchem_Rates, ONLY: Update_SUN, Update_RCONST\n!~~~> Input variables\n REAL(kind=dp) :: T, Y(NVAR)\n!~~~> Output variables\n#ifdef FULL_ALGEBRA \n REAL(kind=dp) :: JV(LU_NONZERO), Jcb(NVAR,NVAR)\n#else\n REAL(kind=dp) :: Jcb(LU_NONZERO)\n#endif \n!~~~> Local variables\n REAL(kind=dp) :: Told\n#ifdef FULL_ALGEBRA \n INTEGER :: i, j\n#endif \n\n Told = TIME\n TIME = T\n CALL Update_SUN()\n CALL Update_RCONST()\n#ifdef FULL_ALGEBRA \n CALL Jac_SP(Y, FIX, RCONST, JV)\n DO j=1,NVAR\n DO i=1,NVAR\n Jcb(i,j) = 0.0_dp\n END DO\n END DO\n DO i=1,LU_NONZERO\n Jcb(LU_IROW(i),LU_ICOL(i)) = JV(i)\n END DO\n#else\n CALL Jac_SP( Y, FIX, RCONST, Jcb )\n#endif \n TIME = Told\n\nEND SUBROUTINE JacTemplate\n\nEND MODULE aqchem_Integrator\n\n\n\n\n! End of INTEGRATE function\n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\n\n" }, { "path": "CCTM/src/cloud/acm_ae7_kmt2/aqchem_Jacobian.F90", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n \n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n! \n! The ODE Jacobian of Chemical Model File\n! \n! Generated by KPP-2.2.3 symbolic chemistry Kinetics PreProcessor\n! (http://www.cs.vt.edu/~asandu/Software/KPP)\n! KPP is distributed under GPL, the general public licence\n! (http://www.gnu.org/copyleft/gpl.html)\n! (C) 1995-1997, V. Damian & A. Sandu, CGRER, Univ. Iowa\n! (C) 1997-2005, A. Sandu, Michigan Tech, Virginia Tech\n! With important contributions from:\n! M. Damian, Villanova University, USA\n! R. Sander, Max-Planck Institute for Chemistry, Mainz, Germany\n! \n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\n\n\nMODULE aqchem_Jacobian\n\n USE aqchem_Parameters\n USE aqchem_JacobianSP\n\n IMPLICIT NONE\n\nCONTAINS\n\n\n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n! \n! Jac_SP - the Jacobian of Variables in sparse matrix representation\n! Arguments :\n! V - Concentrations of variable species (local)\n! F - Concentrations of fixed species (local)\n! RCT - Rate constants (local)\n! JVS - sparse Jacobian of variables\n! \n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\nSUBROUTINE Jac_SP ( V, F, RCT, JVS )\n\n! V - Concentrations of variable species (local)\n REAL(kind=dp) :: V(NVAR)\n! F - Concentrations of fixed species (local)\n REAL(kind=dp) :: F(NFIX)\n! RCT - Rate constants (local)\n REAL(kind=dp) :: RCT(NREACT)\n! JVS - sparse Jacobian of variables\n REAL(kind=dp) :: JVS(LU_NONZERO)\n\n\n! Local variables\n! B - Temporary array\n REAL(kind=dp) :: B(374)\n\n! B(1) = dA(1)/dV(100)\n B(1) = RCT(1)\n! B(2) = dA(2)/dV(86)\n B(2) = RCT(2)\n! B(3) = dA(3)/dV(87)\n B(3) = RCT(3)\n! B(4) = dA(4)/dV(88)\n B(4) = RCT(4)\n! B(5) = dA(5)/dV(85)\n B(5) = RCT(5)\n! B(6) = dA(6)/dV(89)\n B(6) = RCT(6)\n! B(7) = dA(7)/dV(90)\n B(7) = RCT(7)\n! B(8) = dA(8)/dV(91)\n B(8) = RCT(8)\n! B(9) = dA(9)/dV(92)\n B(9) = RCT(9)\n! B(10) = dA(10)/dV(93)\n B(10) = RCT(10)\n! B(11) = dA(11)/dV(94)\n B(11) = RCT(11)\n! B(12) = dA(12)/dV(95)\n B(12) = RCT(12)\n! B(13) = dA(13)/dV(82)\n B(13) = RCT(13)\n! B(14) = dA(14)/dV(96)\n B(14) = RCT(14)\n! B(15) = dA(15)/dV(74)\n B(15) = RCT(15)\n! B(16) = dA(16)/dV(97)\n B(16) = RCT(16)\n! B(17) = dA(17)/dV(145)\n B(17) = RCT(17)\n! B(18) = dA(18)/dV(107)\n B(18) = RCT(18)\n! B(19) = dA(19)/dV(125)\n B(19) = RCT(19)\n! B(20) = dA(20)/dV(108)\n B(20) = RCT(20)\n! B(21) = dA(21)/dV(146)\n B(21) = RCT(21)\n! B(22) = dA(22)/dV(158)\n B(22) = RCT(22)\n! B(23) = dA(23)/dV(142)\n B(23) = RCT(23)\n! B(24) = dA(24)/dV(121)\n B(24) = RCT(24)\n! B(25) = dA(25)/dV(122)\n B(25) = RCT(25)\n! B(26) = dA(26)/dV(111)\n B(26) = RCT(26)\n! B(27) = dA(27)/dV(106)\n B(27) = RCT(27)\n! B(28) = dA(28)/dV(113)\n B(28) = RCT(28)\n! B(29) = dA(29)/dV(155)\n B(29) = RCT(29)\n! B(30) = dA(30)/dV(159)\n B(30) = RCT(30)\n! B(31) = dA(31)/dV(126)\n B(31) = RCT(31)\n! B(32) = dA(32)/dV(150)\n B(32) = RCT(32)\n! B(33) = dA(33)/dV(1)\n B(33) = RCT(33)\n! B(34) = dA(34)/dV(2)\n B(34) = RCT(34)\n! B(35) = dA(35)/dV(3)\n B(35) = RCT(35)\n! B(36) = dA(36)/dV(4)\n B(36) = RCT(36)\n! B(37) = dA(37)/dV(5)\n B(37) = RCT(37)\n! B(38) = dA(38)/dV(6)\n B(38) = RCT(38)\n! B(39) = dA(39)/dV(7)\n B(39) = RCT(39)\n! B(40) = dA(40)/dV(8)\n B(40) = RCT(40)\n! B(41) = dA(41)/dV(145)\n B(41) = RCT(41)\n! B(42) = dA(42)/dV(157)\n B(42) = RCT(42)\n! B(43) = dA(43)/dV(107)\n B(43) = RCT(43)\n! B(44) = dA(44)/dV(125)\n B(44) = RCT(44)\n! B(45) = dA(45)/dV(115)\n B(45) = RCT(45)\n! B(46) = dA(46)/dV(108)\n B(46) = RCT(46)\n! B(47) = dA(47)/dV(142)\n B(47) = RCT(47)\n! B(48) = dA(48)/dV(111)\n B(48) = RCT(48)\n! B(50) = dA(50)/dV(110)\n B(50) = RCT(50)\n! B(51) = dA(51)/dV(124)\n B(51) = RCT(51)\n! B(52) = dA(52)/dV(155)\n B(52) = RCT(52)\n! B(53) = dA(53)/dV(126)\n B(53) = RCT(53)\n! B(54) = dA(54)/dV(150)\n B(54) = RCT(54)\n! B(55) = dA(55)/dV(156)\n B(55) = RCT(55)*V(157)\n! B(56) = dA(55)/dV(157)\n B(56) = RCT(55)*V(156)\n! B(57) = dA(56)/dV(156)\n B(57) = RCT(56)*V(160)\n! B(58) = dA(56)/dV(160)\n B(58) = RCT(56)*V(156)\n! B(59) = dA(57)/dV(147)\n B(59) = RCT(57)*V(156)\n! B(60) = dA(57)/dV(156)\n B(60) = RCT(57)*V(147)\n! B(61) = dA(58)/dV(115)\n B(61) = RCT(58)*V(156)\n! B(62) = dA(58)/dV(156)\n B(62) = RCT(58)*V(115)\n! B(63) = dA(59)/dV(114)\n B(63) = RCT(59)*V(156)\n! B(64) = dA(59)/dV(156)\n B(64) = RCT(59)*V(114)\n! B(65) = dA(60)/dV(109)\n B(65) = RCT(60)*V(153)\n! B(66) = dA(60)/dV(153)\n B(66) = RCT(60)*V(109)\n! B(67) = dA(61)/dV(138)\n B(67) = RCT(61)*V(156)\n! B(68) = dA(61)/dV(156)\n B(68) = RCT(61)*V(138)\n! B(69) = dA(62)/dV(112)\n B(69) = RCT(62)*V(156)\n! B(70) = dA(62)/dV(156)\n B(70) = RCT(62)*V(112)\n! B(71) = dA(63)/dV(153)\n B(71) = RCT(63)*V(156)\n! B(72) = dA(63)/dV(156)\n B(72) = RCT(63)*V(153)\n! B(73) = dA(64)/dV(124)\n B(73) = RCT(64)*V(156)\n! B(74) = dA(64)/dV(156)\n B(74) = RCT(64)*V(124)\n! B(75) = dA(65)/dV(154)\n B(75) = RCT(65)*V(156)\n! B(76) = dA(65)/dV(156)\n B(76) = RCT(65)*V(154)\n! B(77) = dA(66)/dV(151)\n B(77) = RCT(66)*V(156)\n! B(78) = dA(66)/dV(156)\n B(78) = RCT(66)*V(151)\n! B(79) = dA(67)/dV(152)\n B(79) = RCT(67)*V(156)\n! B(80) = dA(67)/dV(156)\n B(80) = RCT(67)*V(152)\n! B(81) = dA(68)/dV(130)\n B(81) = RCT(68)*V(156)\n! B(82) = dA(68)/dV(156)\n B(82) = RCT(68)*V(130)\n! B(83) = dA(69)/dV(146)\n B(83) = RCT(69)*V(156)*V(157)\n! B(84) = dA(69)/dV(156)\n B(84) = RCT(69)*V(146)*V(157)\n! B(85) = dA(69)/dV(157)\n B(85) = RCT(69)*V(146)*V(156)\n! B(86) = dA(70)/dV(145)\n B(86) = RCT(70)*V(158)\n! B(87) = dA(70)/dV(158)\n B(87) = RCT(70)*V(145)\n! B(88) = dA(71)/dV(157)\n B(88) = RCT(71)*V(158)\n! B(89) = dA(71)/dV(158)\n B(89) = RCT(71)*V(157)\n! B(90) = dA(72)/dV(158)\n B(90) = RCT(72)*V(160)\n! B(91) = dA(72)/dV(160)\n B(91) = RCT(72)*V(158)\n! B(92) = dA(73)/dV(14)\n B(92) = RCT(73)*V(145)\n! B(93) = dA(73)/dV(145)\n B(93) = RCT(73)*V(14)\n! B(94) = dA(74)/dV(14)\n B(94) = RCT(74)*V(157)\n! B(95) = dA(74)/dV(157)\n B(95) = RCT(74)*V(14)\n! B(96) = dA(75)/dV(14)\n B(96) = RCT(75)*V(160)\n! B(97) = dA(75)/dV(160)\n B(97) = RCT(75)*V(14)\n! B(98) = dA(76)/dV(13)\n B(98) = RCT(76)*V(145)\n! B(99) = dA(76)/dV(145)\n B(99) = RCT(76)*V(13)\n! B(100) = dA(77)/dV(13)\n B(100) = RCT(77)*V(157)\n! B(101) = dA(77)/dV(157)\n B(101) = RCT(77)*V(13)\n! B(102) = dA(78)/dV(13)\n B(102) = RCT(78)*V(160)\n! B(103) = dA(78)/dV(160)\n B(103) = RCT(78)*V(13)\n! B(104) = dA(79)/dV(13)\n B(104) = RCT(79)*V(14)*V(145)\n! B(105) = dA(79)/dV(14)\n B(105) = RCT(79)*V(13)*V(145)\n! B(106) = dA(79)/dV(145)\n B(106) = RCT(79)*V(13)*V(14)\n! B(107) = dA(80)/dV(13)\n B(107) = RCT(80)*V(14)*V(157)\n! B(108) = dA(80)/dV(14)\n B(108) = RCT(80)*V(13)*V(157)\n! B(109) = dA(80)/dV(157)\n B(109) = RCT(80)*V(13)*V(14)\n! B(110) = dA(81)/dV(13)\n B(110) = RCT(81)*V(14)*V(160)\n! B(111) = dA(81)/dV(14)\n B(111) = RCT(81)*V(13)*V(160)\n! B(112) = dA(81)/dV(160)\n B(112) = RCT(81)*V(13)*V(14)\n! B(113) = dA(82)/dV(121)\n B(113) = RCT(82)*V(156)*V(157)\n! B(114) = dA(82)/dV(156)\n B(114) = RCT(82)*V(121)*V(157)\n! B(115) = dA(82)/dV(157)\n B(115) = RCT(82)*V(121)*V(156)\n! B(116) = dA(83)/dV(122)\n B(116) = RCT(83)*V(156)*V(157)\n! B(117) = dA(83)/dV(156)\n B(117) = RCT(83)*V(122)*V(157)\n! B(118) = dA(83)/dV(157)\n B(118) = RCT(83)*V(122)*V(156)\n! B(119) = dA(84)/dV(122)\n B(119) = RCT(84)*V(157)\n! B(120) = dA(84)/dV(157)\n B(120) = RCT(84)*V(122)\n! B(121) = dA(85)/dV(155)\n B(121) = RCT(85)*2*V(155)\n! B(122) = dA(86)/dV(151)\n B(122) = RCT(86)*V(155)\n! B(123) = dA(86)/dV(155)\n B(123) = RCT(86)*V(151)\n! B(124) = dA(87)/dV(151)\n B(124) = RCT(87)*V(158)\n! B(125) = dA(87)/dV(158)\n B(125) = RCT(87)*V(151)\n! B(126) = dA(88)/dV(145)\n B(126) = RCT(88)*V(159)\n! B(127) = dA(88)/dV(159)\n B(127) = RCT(88)*V(145)\n! B(128) = dA(89)/dV(157)\n B(128) = RCT(89)*V(159)\n! B(129) = dA(89)/dV(159)\n B(129) = RCT(89)*V(157)\n! B(130) = dA(90)/dV(159)\n B(130) = RCT(90)*V(160)\n! B(131) = dA(90)/dV(160)\n B(131) = RCT(90)*V(159)\n! B(132) = dA(91)/dV(150)\n B(132) = RCT(91)*V(157)\n! B(133) = dA(91)/dV(157)\n B(133) = RCT(91)*V(150)\n! B(134) = dA(92)/dV(130)\n B(134) = RCT(92)\n! B(135) = dA(93)/dV(152)\n B(135) = RCT(93)*V(158)\n! B(136) = dA(93)/dV(158)\n B(136) = RCT(93)*V(152)\n! B(137) = dA(94)/dV(152)\n B(137) = RCT(94)*V(161)\n! B(138) = dA(94)/dV(161)\n B(138) = RCT(94)*V(152)\n! B(139) = dA(95)/dV(126)\n B(139) = RCT(95)*V(161)\n! B(140) = dA(95)/dV(161)\n B(140) = RCT(95)*V(126)\n! B(141) = dA(96)/dV(145)\n B(141) = RCT(96)\n! B(142) = dA(97)/dV(107)\n B(142) = RCT(97)\n! B(143) = dA(98)/dV(125)\n B(143) = RCT(98)\n! B(144) = dA(99)/dV(108)\n B(144) = RCT(99)\n! B(145) = dA(100)/dV(146)\n B(145) = RCT(100)\n! B(146) = dA(101)/dV(158)\n B(146) = RCT(101)\n! B(147) = dA(102)/dV(142)\n B(147) = RCT(102)\n! B(148) = dA(103)/dV(121)\n B(148) = RCT(103)\n! B(149) = dA(104)/dV(122)\n B(149) = RCT(104)\n! B(150) = dA(105)/dV(110)\n B(150) = RCT(105)\n! B(151) = dA(106)/dV(111)\n B(151) = RCT(106)\n! B(152) = dA(107)/dV(106)\n B(152) = RCT(107)\n! B(153) = dA(108)/dV(113)\n B(153) = RCT(108)\n! B(154) = dA(109)/dV(154)\n B(154) = RCT(109)\n! B(155) = dA(110)/dV(147)\n B(155) = RCT(110)\n! B(156) = dA(111)/dV(109)\n B(156) = RCT(111)\n! B(157) = dA(112)/dV(112)\n B(157) = RCT(112)\n! B(158) = dA(113)/dV(9)\n B(158) = RCT(113)\n! B(159) = dA(114)/dV(10)\n B(159) = RCT(114)\n! B(160) = dA(115)/dV(11)\n B(160) = RCT(115)\n! B(161) = dA(116)/dV(12)\n B(161) = RCT(116)\n! B(162) = dA(117)/dV(15)\n B(162) = RCT(117)\n! B(163) = dA(118)/dV(16)\n B(163) = RCT(118)\n! B(164) = dA(119)/dV(17)\n B(164) = RCT(119)\n! B(165) = dA(120)/dV(18)\n B(165) = RCT(120)\n! B(166) = dA(121)/dV(13)\n B(166) = RCT(121)\n! B(167) = dA(122)/dV(14)\n B(167) = RCT(122)\n! B(168) = dA(123)/dV(156)\n B(168) = RCT(123)\n! B(169) = dA(124)/dV(153)\n B(169) = RCT(124)\n! B(170) = dA(125)/dV(157)\n B(170) = RCT(125)\n! B(171) = dA(126)/dV(160)\n B(171) = RCT(126)\n! B(172) = dA(127)/dV(115)\n B(172) = RCT(127)\n! B(173) = dA(128)/dV(114)\n B(173) = RCT(128)\n! B(174) = dA(129)/dV(138)\n B(174) = RCT(129)\n! B(175) = dA(130)/dV(124)\n B(175) = RCT(130)\n! B(176) = dA(131)/dV(151)\n B(176) = RCT(131)\n! B(177) = dA(132)/dV(155)\n B(177) = RCT(132)\n! B(178) = dA(133)/dV(159)\n B(178) = RCT(133)\n! B(179) = dA(134)/dV(126)\n B(179) = RCT(134)\n! B(180) = dA(135)/dV(152)\n B(180) = RCT(135)\n! B(181) = dA(136)/dV(130)\n B(181) = RCT(136)\n! B(182) = dA(137)/dV(150)\n B(182) = RCT(137)\n! B(184) = dA(139)/dV(161)\n B(184) = RCT(139)\n! B(185) = dA(140)/dV(161)\n B(185) = RCT(140)\n! B(186) = dA(141)/dV(101)\n B(186) = RCT(141)\n! B(187) = dA(142)/dV(75)\n B(187) = RCT(142)\n! B(188) = dA(143)/dV(77)\n B(188) = RCT(143)\n! B(189) = dA(144)/dV(116)\n B(189) = RCT(144)\n! B(190) = dA(145)/dV(76)\n B(190) = RCT(145)\n! B(191) = dA(146)/dV(78)\n B(191) = RCT(146)\n! B(192) = dA(147)/dV(116)\n B(192) = RCT(147)*F(1)\n! B(194) = dA(148)/dV(116)\n B(194) = RCT(148)*V(154)\n! B(195) = dA(148)/dV(154)\n B(195) = RCT(148)*V(116)\n! B(196) = dA(149)/dV(102)\n B(196) = RCT(149)*V(116)\n! B(197) = dA(149)/dV(116)\n B(197) = RCT(149)*V(102)\n! B(198) = dA(150)/dV(103)\n B(198) = RCT(150)*V(116)\n! B(199) = dA(150)/dV(116)\n B(199) = RCT(150)*V(103)\n! B(200) = dA(151)/dV(116)\n B(200) = RCT(151)*F(1)\n! B(202) = dA(152)/dV(116)\n B(202) = RCT(152)*V(154)\n! B(203) = dA(152)/dV(154)\n B(203) = RCT(152)*V(116)\n! B(204) = dA(153)/dV(116)\n B(204) = RCT(153)*V(147)\n! B(205) = dA(153)/dV(147)\n B(205) = RCT(153)*V(116)\n! B(206) = dA(154)/dV(76)\n B(206) = RCT(154)*F(1)\n! B(208) = dA(155)/dV(76)\n B(208) = RCT(155)*V(154)\n! B(209) = dA(155)/dV(154)\n B(209) = RCT(155)*V(76)\n! B(210) = dA(156)/dV(78)\n B(210) = RCT(156)*F(1)\n! B(212) = dA(157)/dV(78)\n B(212) = RCT(157)*V(154)\n! B(213) = dA(157)/dV(154)\n B(213) = RCT(157)*V(78)\n! B(214) = dA(158)/dV(116)\n B(214) = RCT(158)\n! B(215) = dA(159)/dV(102)\n B(215) = RCT(159)\n! B(216) = dA(160)/dV(103)\n B(216) = RCT(160)\n! B(217) = dA(161)/dV(56)\n B(217) = RCT(161)\n! B(218) = dA(162)/dV(76)\n B(218) = RCT(162)\n! B(219) = dA(163)/dV(78)\n B(219) = RCT(163)\n! B(220) = dA(164)/dV(60)\n B(220) = RCT(164)\n! B(221) = dA(165)/dV(62)\n B(221) = RCT(165)\n! B(222) = dA(166)/dV(53)\n B(222) = RCT(166)\n! B(223) = dA(167)/dV(79)\n B(223) = RCT(167)\n! B(224) = dA(168)/dV(80)\n B(224) = RCT(168)\n! B(225) = dA(169)/dV(81)\n B(225) = RCT(169)\n! B(226) = dA(170)/dV(84)\n B(226) = RCT(170)\n! B(227) = dA(171)/dV(83)\n B(227) = RCT(171)\n! B(228) = dA(172)/dV(105)\n B(228) = RCT(172)\n! B(229) = dA(173)/dV(135)\n B(229) = RCT(173)\n! B(230) = dA(174)/dV(144)\n B(230) = RCT(174)\n! B(231) = dA(175)/dV(119)\n B(231) = RCT(175)\n! B(232) = dA(176)/dV(134)\n B(232) = RCT(176)\n! B(233) = dA(177)/dV(137)\n B(233) = RCT(177)\n! B(234) = dA(178)/dV(129)\n B(234) = RCT(178)\n! B(235) = dA(179)/dV(132)\n B(235) = RCT(179)\n! B(236) = dA(180)/dV(134)\n B(236) = RCT(180)\n! B(237) = dA(181)/dV(139)\n B(237) = RCT(181)\n! B(238) = dA(182)/dV(135)\n B(238) = RCT(182)\n! B(239) = dA(183)/dV(141)\n B(239) = RCT(183)*V(156)\n! B(240) = dA(183)/dV(156)\n B(240) = RCT(183)*V(141)\n! B(241) = dA(184)/dV(132)\n B(241) = RCT(184)*V(156)\n! B(242) = dA(184)/dV(156)\n B(242) = RCT(184)*V(132)\n! B(243) = dA(185)/dV(131)\n B(243) = RCT(185)*V(156)\n! B(244) = dA(185)/dV(156)\n B(244) = RCT(185)*V(131)\n! B(245) = dA(186)/dV(133)\n B(245) = RCT(186)*V(156)\n! B(246) = dA(186)/dV(156)\n B(246) = RCT(186)*V(133)\n! B(247) = dA(187)/dV(140)\n B(247) = RCT(187)*V(156)\n! B(248) = dA(187)/dV(156)\n B(248) = RCT(187)*V(140)\n! B(249) = dA(188)/dV(136)\n B(249) = RCT(188)*V(156)\n! B(250) = dA(188)/dV(156)\n B(250) = RCT(188)*V(136)\n! B(251) = dA(189)/dV(144)\n B(251) = RCT(189)*F(1)\n! B(253) = dA(190)/dV(149)\n B(253) = RCT(190)\n! B(254) = dA(191)/dV(119)\n B(254) = RCT(191)*F(1)\n! B(256) = dA(192)/dV(117)\n B(256) = RCT(192)\n! B(257) = dA(193)/dV(146)\n B(257) = RCT(193)\n! B(258) = dA(194)/dV(105)\n B(258) = RCT(194)*V(161)\n! B(259) = dA(194)/dV(161)\n B(259) = RCT(194)*V(105)\n! B(260) = dA(195)/dV(105)\n B(260) = RCT(195)*V(161)\n! B(261) = dA(195)/dV(161)\n B(261) = RCT(195)*V(105)\n! B(262) = dA(196)/dV(139)\n B(262) = RCT(196)*V(161)\n! B(263) = dA(196)/dV(161)\n B(263) = RCT(196)*V(139)\n! B(264) = dA(197)/dV(140)\n B(264) = RCT(197)*V(161)\n! B(265) = dA(197)/dV(161)\n B(265) = RCT(197)*V(140)\n! B(266) = dA(198)/dV(106)\n B(266) = RCT(198)*V(161)\n! B(267) = dA(198)/dV(161)\n B(267) = RCT(198)*V(106)\n! B(268) = dA(199)/dV(137)\n B(268) = RCT(199)*V(161)\n! B(269) = dA(199)/dV(161)\n B(269) = RCT(199)*V(137)\n! B(270) = dA(200)/dV(141)\n B(270) = RCT(200)*V(161)\n! B(271) = dA(200)/dV(161)\n B(271) = RCT(200)*V(141)\n! B(272) = dA(201)/dV(129)\n B(272) = RCT(201)*V(161)\n! B(273) = dA(201)/dV(161)\n B(273) = RCT(201)*V(129)\n! B(274) = dA(202)/dV(132)\n B(274) = RCT(202)*V(161)\n! B(275) = dA(202)/dV(161)\n B(275) = RCT(202)*V(132)\n! B(276) = dA(203)/dV(131)\n B(276) = RCT(203)*V(161)\n! B(277) = dA(203)/dV(161)\n B(277) = RCT(203)*V(131)\n! B(278) = dA(204)/dV(113)\n B(278) = RCT(204)*V(161)\n! B(279) = dA(204)/dV(161)\n B(279) = RCT(204)*V(113)\n! B(280) = dA(205)/dV(134)\n B(280) = RCT(205)*V(161)\n! B(281) = dA(205)/dV(161)\n B(281) = RCT(205)*V(134)\n! B(282) = dA(206)/dV(133)\n B(282) = RCT(206)*V(161)\n! B(283) = dA(206)/dV(161)\n B(283) = RCT(206)*V(133)\n! B(284) = dA(207)/dV(135)\n B(284) = RCT(207)*V(161)\n! B(285) = dA(207)/dV(161)\n B(285) = RCT(207)*V(135)\n! B(286) = dA(208)/dV(136)\n B(286) = RCT(208)*V(161)\n! B(287) = dA(208)/dV(161)\n B(287) = RCT(208)*V(136)\n! B(288) = dA(209)/dV(149)\n B(288) = RCT(209)*V(161)\n! B(289) = dA(209)/dV(161)\n B(289) = RCT(209)*V(149)\n! B(290) = dA(210)/dV(142)\n B(290) = RCT(210)*V(161)\n! B(291) = dA(210)/dV(161)\n B(291) = RCT(210)*V(142)\n! B(292) = dA(211)/dV(117)\n B(292) = RCT(211)*V(161)\n! B(293) = dA(211)/dV(161)\n B(293) = RCT(211)*V(117)\n! B(294) = dA(212)/dV(137)\n B(294) = RCT(212)\n! B(295) = dA(213)/dV(141)\n B(295) = RCT(213)\n! B(296) = dA(214)/dV(129)\n B(296) = RCT(214)\n! B(297) = dA(215)/dV(132)\n B(297) = RCT(215)\n! B(298) = dA(216)/dV(131)\n B(298) = RCT(216)\n! B(299) = dA(217)/dV(134)\n B(299) = RCT(217)\n! B(300) = dA(218)/dV(133)\n B(300) = RCT(218)\n! B(301) = dA(219)/dV(135)\n B(301) = RCT(219)\n! B(302) = dA(220)/dV(136)\n B(302) = RCT(220)\n! B(303) = dA(221)/dV(149)\n B(303) = RCT(221)\n! B(304) = dA(222)/dV(105)\n B(304) = RCT(222)\n! B(305) = dA(223)/dV(139)\n B(305) = RCT(223)\n! B(306) = dA(224)/dV(140)\n B(306) = RCT(224)\n! B(307) = dA(225)/dV(144)\n B(307) = RCT(225)\n! B(308) = dA(226)/dV(119)\n B(308) = RCT(226)\n! B(309) = dA(227)/dV(117)\n B(309) = RCT(227)\n! B(310) = dA(228)/dV(98)\n B(310) = RCT(228)\n! B(311) = dA(229)/dV(99)\n B(311) = RCT(229)\n! B(312) = dA(230)/dV(127)\n B(312) = RCT(230)\n! B(313) = dA(231)/dV(120)\n B(313) = RCT(231)\n! B(314) = dA(232)/dV(147)\n B(314) = RCT(232)\n! B(315) = dA(233)/dV(161)\n B(315) = RCT(233)*2*V(161)\n! B(316) = dA(234)/dV(155)\n B(316) = RCT(234)*V(161)\n! B(317) = dA(234)/dV(161)\n B(317) = RCT(234)*V(155)\n! B(318) = dA(235)/dV(151)\n B(318) = RCT(235)*V(161)\n! B(319) = dA(235)/dV(161)\n B(319) = RCT(235)*V(151)\n! B(320) = dA(236)/dV(146)\n B(320) = RCT(236)*V(161)\n! B(321) = dA(236)/dV(161)\n B(321) = RCT(236)*V(146)\n! B(322) = dA(237)/dV(157)\n B(322) = RCT(237)*V(161)\n! B(323) = dA(237)/dV(161)\n B(323) = RCT(237)*V(157)\n! B(324) = dA(238)/dV(155)\n B(324) = RCT(238)*V(159)\n! B(325) = dA(238)/dV(159)\n B(325) = RCT(238)*V(155)\n! B(326) = dA(239)/dV(151)\n B(326) = RCT(239)*V(159)\n! B(327) = dA(239)/dV(159)\n B(327) = RCT(239)*V(151)\n! B(328) = dA(240)/dV(150)\n B(328) = RCT(240)\n! B(329) = dA(241)/dV(127)\n B(329) = RCT(241)*V(154)\n! B(330) = dA(241)/dV(154)\n B(330) = RCT(241)*V(127)\n! B(331) = dA(242)/dV(127)\n B(331) = RCT(242)*V(157)\n! B(332) = dA(242)/dV(157)\n B(332) = RCT(242)*V(127)\n! B(333) = dA(243)/dV(104)\n B(333) = RCT(243)*F(3)\n! B(335) = dA(244)/dV(143)\n B(335) = RCT(244)*V(155)\n! B(336) = dA(244)/dV(155)\n B(336) = RCT(244)*V(143)\n! B(337) = dA(245)/dV(143)\n B(337) = RCT(245)*2*V(143)\n! B(338) = dA(246)/dV(128)\n B(338) = RCT(246)*V(156)*V(157)\n! B(339) = dA(246)/dV(156)\n B(339) = RCT(246)*V(128)*V(157)\n! B(340) = dA(246)/dV(157)\n B(340) = RCT(246)*V(128)*V(156)\n! B(341) = dA(247)/dV(123)\n B(341) = RCT(247)*F(1)\n! B(343) = dA(248)/dV(120)\n B(343) = RCT(248)*2*V(120)\n! B(344) = dA(249)/dV(120)\n B(344) = RCT(249)*V(157)\n! B(345) = dA(249)/dV(157)\n B(345) = RCT(249)*V(120)\n! B(346) = dA(250)/dV(138)\n B(346) = RCT(250)*V(161)\n! B(347) = dA(250)/dV(161)\n B(347) = RCT(250)*V(138)\n! B(348) = dA(251)/dV(144)\n B(348) = RCT(251)*V(157)\n! B(349) = dA(251)/dV(157)\n B(349) = RCT(251)*V(144)\n! B(350) = dA(252)/dV(144)\n B(350) = RCT(252)*V(160)\n! B(351) = dA(252)/dV(160)\n B(351) = RCT(252)*V(144)\n! B(352) = dA(253)/dV(148)\n B(352) = RCT(253)\n! B(353) = dA(254)/dV(148)\n B(353) = RCT(254)*V(153)\n! B(354) = dA(254)/dV(153)\n B(354) = RCT(254)*V(148)\n! B(355) = dA(255)/dV(148)\n B(355) = RCT(255)*V(161)\n! B(356) = dA(255)/dV(161)\n B(356) = RCT(255)*V(148)\n! B(357) = dA(256)/dV(119)\n B(357) = RCT(256)*V(157)\n! B(358) = dA(256)/dV(157)\n B(358) = RCT(256)*V(119)\n! B(359) = dA(257)/dV(119)\n B(359) = RCT(257)*V(160)\n! B(360) = dA(257)/dV(160)\n B(360) = RCT(257)*V(119)\n! B(361) = dA(258)/dV(118)\n B(361) = RCT(258)\n! B(362) = dA(259)/dV(118)\n B(362) = RCT(259)*V(153)\n! B(363) = dA(259)/dV(153)\n B(363) = RCT(259)*V(118)\n! B(364) = dA(260)/dV(118)\n B(364) = RCT(260)*V(161)\n! B(365) = dA(260)/dV(161)\n B(365) = RCT(260)*V(118)\n! B(366) = dA(261)/dV(127)\n B(366) = RCT(261)\n! B(367) = dA(262)/dV(120)\n B(367) = RCT(262)\n! B(368) = dA(263)/dV(123)\n B(368) = RCT(263)\n! B(369) = dA(264)/dV(104)\n B(369) = RCT(264)\n! B(370) = dA(265)/dV(148)\n B(370) = RCT(265)\n! B(371) = dA(266)/dV(143)\n B(371) = RCT(266)\n! B(372) = dA(267)/dV(128)\n B(372) = RCT(267)\n! B(373) = dA(268)/dV(22)\n B(373) = RCT(268)\n! B(374) = dA(269)/dV(118)\n B(374) = RCT(269)\n\n! Construct the Jacobian terms from B's\n! JVS(1) = Jac_FULL(1,1)\n JVS(1) = -B(33)\n! JVS(2) = Jac_FULL(2,2)\n JVS(2) = -B(34)\n! JVS(3) = Jac_FULL(3,3)\n JVS(3) = -B(35)\n! JVS(4) = Jac_FULL(4,4)\n JVS(4) = -B(36)\n! JVS(5) = Jac_FULL(5,5)\n JVS(5) = -B(37)\n! JVS(6) = Jac_FULL(6,6)\n JVS(6) = -B(38)\n! JVS(7) = Jac_FULL(7,7)\n JVS(7) = -B(39)\n! JVS(8) = Jac_FULL(8,8)\n JVS(8) = -B(40)\n! JVS(9) = Jac_FULL(9,8)\n JVS(9) = B(40)\n! JVS(10) = Jac_FULL(9,9)\n JVS(10) = -B(158)\n! JVS(11) = Jac_FULL(10,6)\n JVS(11) = B(38)\n! JVS(12) = Jac_FULL(10,10)\n JVS(12) = -B(159)\n! JVS(13) = Jac_FULL(11,11)\n JVS(13) = -B(160)\n! JVS(14) = Jac_FULL(12,7)\n JVS(14) = B(39)\n! JVS(15) = Jac_FULL(12,12)\n JVS(15) = -B(161)\n! JVS(16) = Jac_FULL(13,13)\n JVS(16) = -B(166)\n! JVS(17) = Jac_FULL(14,14)\n JVS(17) = -B(167)\n! JVS(18) = Jac_FULL(15,15)\n JVS(18) = -B(162)\n! JVS(19) = Jac_FULL(16,16)\n JVS(19) = -B(163)\n! JVS(20) = Jac_FULL(17,17)\n JVS(20) = -B(164)\n! JVS(21) = Jac_FULL(18,4)\n JVS(21) = B(36)\n! JVS(22) = Jac_FULL(18,18)\n JVS(22) = -B(165)\n! JVS(23) = Jac_FULL(19,19)\n JVS(23) = 0\n! JVS(24) = Jac_FULL(19,104)\n JVS(24) = B(369)\n! JVS(25) = Jac_FULL(19,123)\n JVS(25) = B(368)\n! JVS(26) = Jac_FULL(19,128)\n JVS(26) = B(372)\n! JVS(27) = Jac_FULL(19,143)\n JVS(27) = B(371)\n! JVS(28) = Jac_FULL(19,145)\n JVS(28) = B(141)\n! JVS(29) = Jac_FULL(19,148)\n JVS(29) = B(370)\n! JVS(30) = Jac_FULL(19,157)\n JVS(30) = B(170)\n! JVS(31) = Jac_FULL(19,160)\n JVS(31) = B(171)\n! JVS(32) = Jac_FULL(20,20)\n JVS(32) = 0\n! JVS(33) = Jac_FULL(20,107)\n JVS(33) = B(142)\n! JVS(34) = Jac_FULL(21,21)\n JVS(34) = 0\n! JVS(35) = Jac_FULL(21,22)\n JVS(35) = B(373)\n! JVS(36) = Jac_FULL(21,114)\n JVS(36) = B(173)\n! JVS(37) = Jac_FULL(21,115)\n JVS(37) = B(172)\n! JVS(38) = Jac_FULL(21,125)\n JVS(38) = B(143)\n! JVS(39) = Jac_FULL(22,22)\n JVS(39) = -B(373)\n! JVS(40) = Jac_FULL(22,131)\n JVS(40) = B(276)\n! JVS(41) = Jac_FULL(22,132)\n JVS(41) = B(274)\n! JVS(42) = Jac_FULL(22,161)\n JVS(42) = B(275)+B(277)\n! JVS(43) = Jac_FULL(23,23)\n JVS(43) = 0\n! JVS(44) = Jac_FULL(23,108)\n JVS(44) = B(144)\n! JVS(45) = Jac_FULL(24,24)\n JVS(45) = 0\n! JVS(46) = Jac_FULL(24,146)\n JVS(46) = B(145)\n! JVS(47) = Jac_FULL(25,25)\n JVS(47) = 0\n! JVS(48) = Jac_FULL(25,158)\n JVS(48) = B(146)\n! JVS(49) = Jac_FULL(26,26)\n JVS(49) = 0\n! JVS(50) = Jac_FULL(26,138)\n JVS(50) = B(174)\n! JVS(51) = Jac_FULL(26,142)\n JVS(51) = B(147)\n! JVS(52) = Jac_FULL(27,27)\n JVS(52) = 0\n! JVS(53) = Jac_FULL(27,121)\n JVS(53) = B(148)\n! JVS(54) = Jac_FULL(28,28)\n JVS(54) = 0\n! JVS(55) = Jac_FULL(28,122)\n JVS(55) = B(149)\n! JVS(56) = Jac_FULL(29,29)\n JVS(56) = 0\n! JVS(57) = Jac_FULL(29,110)\n JVS(57) = B(150)\n! JVS(58) = Jac_FULL(29,124)\n JVS(58) = B(175)\n! JVS(59) = Jac_FULL(29,154)\n JVS(59) = B(154)\n! JVS(60) = Jac_FULL(30,30)\n JVS(60) = 0\n! JVS(61) = Jac_FULL(30,111)\n JVS(61) = B(151)\n! JVS(62) = Jac_FULL(31,31)\n JVS(62) = 0\n! JVS(63) = Jac_FULL(31,106)\n JVS(63) = B(152)\n! JVS(64) = Jac_FULL(32,32)\n JVS(64) = 0\n! JVS(65) = Jac_FULL(32,113)\n JVS(65) = B(153)\n! JVS(66) = Jac_FULL(33,33)\n JVS(66) = 0\n! JVS(67) = Jac_FULL(33,161)\n JVS(67) = B(185)\n! JVS(68) = Jac_FULL(34,34)\n JVS(68) = 0\n! JVS(69) = Jac_FULL(34,147)\n JVS(69) = B(155)\n! JVS(70) = Jac_FULL(35,35)\n JVS(70) = 0\n! JVS(71) = Jac_FULL(35,109)\n JVS(71) = B(156)\n! JVS(72) = Jac_FULL(36,36)\n JVS(72) = 0\n! JVS(73) = Jac_FULL(36,112)\n JVS(73) = B(157)\n! JVS(74) = Jac_FULL(37,9)\n JVS(74) = B(158)\n! JVS(75) = Jac_FULL(37,37)\n JVS(75) = 0\n! JVS(76) = Jac_FULL(38,13)\n JVS(76) = B(166)\n! JVS(77) = Jac_FULL(38,38)\n JVS(77) = 0\n! JVS(78) = Jac_FULL(39,14)\n JVS(78) = B(167)\n! JVS(79) = Jac_FULL(39,39)\n JVS(79) = 0\n! JVS(80) = Jac_FULL(40,10)\n JVS(80) = B(159)\n! JVS(81) = Jac_FULL(40,40)\n JVS(81) = 0\n! JVS(82) = Jac_FULL(41,11)\n JVS(82) = B(160)\n! JVS(83) = Jac_FULL(41,41)\n JVS(83) = 0\n! JVS(84) = Jac_FULL(42,12)\n JVS(84) = B(161)\n! JVS(85) = Jac_FULL(42,42)\n JVS(85) = 0\n! JVS(86) = Jac_FULL(43,43)\n JVS(86) = 0\n! JVS(87) = Jac_FULL(43,156)\n JVS(87) = B(168)\n! JVS(88) = Jac_FULL(44,15)\n JVS(88) = B(162)\n! JVS(89) = Jac_FULL(44,44)\n JVS(89) = 0\n! JVS(90) = Jac_FULL(45,16)\n JVS(90) = B(163)\n! JVS(91) = Jac_FULL(45,45)\n JVS(91) = 0\n! JVS(92) = Jac_FULL(46,17)\n JVS(92) = B(164)\n! JVS(93) = Jac_FULL(46,46)\n JVS(93) = 0\n! JVS(94) = Jac_FULL(47,18)\n JVS(94) = B(165)\n! JVS(95) = Jac_FULL(47,47)\n JVS(95) = 0\n! JVS(96) = Jac_FULL(48,48)\n JVS(96) = 0\n! JVS(97) = Jac_FULL(48,159)\n JVS(97) = B(178)\n! JVS(98) = Jac_FULL(49,49)\n JVS(98) = 0\n! JVS(99) = Jac_FULL(49,126)\n JVS(99) = B(179)\n! JVS(100) = Jac_FULL(49,152)\n JVS(100) = B(180)\n! JVS(101) = Jac_FULL(50,50)\n JVS(101) = 0\n! JVS(102) = Jac_FULL(50,130)\n JVS(102) = B(181)\n! JVS(103) = Jac_FULL(50,150)\n JVS(103) = B(182)\n! JVS(104) = Jac_FULL(51,51)\n JVS(104) = 0\n! JVS(105) = Jac_FULL(51,116)\n JVS(105) = B(214)\n! JVS(106) = Jac_FULL(52,52)\n JVS(106) = 0\n! JVS(107) = Jac_FULL(52,53)\n JVS(107) = B(222)\n! JVS(108) = Jac_FULL(52,102)\n JVS(108) = B(215)\n! JVS(109) = Jac_FULL(53,53)\n JVS(109) = -B(222)\n! JVS(110) = Jac_FULL(53,116)\n JVS(110) = B(200)+B(202)+B(204)\n! JVS(111) = Jac_FULL(53,147)\n JVS(111) = B(205)\n! JVS(112) = Jac_FULL(53,154)\n JVS(112) = B(203)\n! JVS(113) = Jac_FULL(54,54)\n JVS(113) = 0\n! JVS(114) = Jac_FULL(54,103)\n JVS(114) = B(216)\n! JVS(115) = Jac_FULL(55,55)\n JVS(115) = 0\n! JVS(116) = Jac_FULL(55,56)\n JVS(116) = B(217)\n! JVS(117) = Jac_FULL(56,56)\n JVS(117) = -B(217)\n! JVS(118) = Jac_FULL(56,102)\n JVS(118) = B(196)\n! JVS(119) = Jac_FULL(56,103)\n JVS(119) = B(198)\n! JVS(120) = Jac_FULL(56,116)\n JVS(120) = B(197)+B(199)\n! JVS(121) = Jac_FULL(57,57)\n JVS(121) = 0\n! JVS(122) = Jac_FULL(57,76)\n JVS(122) = B(218)\n! JVS(123) = Jac_FULL(58,58)\n JVS(123) = 0\n! JVS(124) = Jac_FULL(58,78)\n JVS(124) = B(219)\n! JVS(125) = Jac_FULL(59,59)\n JVS(125) = 0\n! JVS(126) = Jac_FULL(59,60)\n JVS(126) = B(220)\n! JVS(127) = Jac_FULL(60,60)\n JVS(127) = -B(220)\n! JVS(128) = Jac_FULL(60,76)\n JVS(128) = B(206)\n! JVS(129) = Jac_FULL(60,78)\n JVS(129) = B(210)\n! JVS(130) = Jac_FULL(61,61)\n JVS(130) = 0\n! JVS(131) = Jac_FULL(61,62)\n JVS(131) = B(221)\n! JVS(132) = Jac_FULL(62,62)\n JVS(132) = -B(221)\n! JVS(133) = Jac_FULL(62,76)\n JVS(133) = B(208)\n! JVS(134) = Jac_FULL(62,78)\n JVS(134) = B(212)\n! JVS(135) = Jac_FULL(62,154)\n JVS(135) = B(209)+B(213)\n! JVS(136) = Jac_FULL(63,63)\n JVS(136) = 0\n! JVS(137) = Jac_FULL(63,137)\n JVS(137) = B(294)\n! JVS(138) = Jac_FULL(63,141)\n JVS(138) = B(295)\n! JVS(139) = Jac_FULL(64,64)\n JVS(139) = 0\n! JVS(140) = Jac_FULL(64,129)\n JVS(140) = B(296)\n! JVS(141) = Jac_FULL(64,131)\n JVS(141) = B(298)\n! JVS(142) = Jac_FULL(64,132)\n JVS(142) = B(297)\n! JVS(143) = Jac_FULL(65,65)\n JVS(143) = 0\n! JVS(144) = Jac_FULL(65,133)\n JVS(144) = B(300)\n! JVS(145) = Jac_FULL(65,134)\n JVS(145) = B(299)\n! JVS(146) = Jac_FULL(66,66)\n JVS(146) = 0\n! JVS(147) = Jac_FULL(66,135)\n JVS(147) = B(301)\n! JVS(148) = Jac_FULL(66,136)\n JVS(148) = B(302)\n! JVS(149) = Jac_FULL(67,67)\n JVS(149) = 0\n! JVS(150) = Jac_FULL(67,144)\n JVS(150) = B(307)\n! JVS(151) = Jac_FULL(67,148)\n JVS(151) = B(370)\n! JVS(152) = Jac_FULL(67,149)\n JVS(152) = B(303)\n! JVS(153) = Jac_FULL(68,68)\n JVS(153) = 0\n! JVS(154) = Jac_FULL(68,151)\n JVS(154) = B(176)\n! JVS(155) = Jac_FULL(68,155)\n JVS(155) = B(177)\n! JVS(156) = Jac_FULL(69,69)\n JVS(156) = 0\n! JVS(157) = Jac_FULL(69,105)\n JVS(157) = B(304)\n! JVS(158) = Jac_FULL(70,70)\n JVS(158) = 0\n! JVS(159) = Jac_FULL(70,139)\n JVS(159) = B(305)\n! JVS(160) = Jac_FULL(70,140)\n JVS(160) = B(306)\n! JVS(161) = Jac_FULL(71,71)\n JVS(161) = 0\n! JVS(162) = Jac_FULL(71,117)\n JVS(162) = B(309)\n! JVS(163) = Jac_FULL(71,118)\n JVS(163) = B(374)\n! JVS(164) = Jac_FULL(71,119)\n JVS(164) = B(308)\n! JVS(165) = Jac_FULL(72,72)\n JVS(165) = 0\n! JVS(166) = Jac_FULL(72,127)\n JVS(166) = B(366)\n! JVS(167) = Jac_FULL(73,73)\n JVS(167) = 0\n! JVS(168) = Jac_FULL(73,120)\n JVS(168) = B(367)\n! JVS(169) = Jac_FULL(74,74)\n JVS(169) = -B(15)\n! JVS(170) = Jac_FULL(74,126)\n JVS(170) = B(31)\n! JVS(171) = Jac_FULL(75,75)\n JVS(171) = -B(187)\n! JVS(172) = Jac_FULL(75,76)\n JVS(172) = B(190)\n! JVS(173) = Jac_FULL(76,75)\n JVS(173) = B(187)\n! JVS(174) = Jac_FULL(76,76)\n JVS(174) = -B(190)-B(206)-B(208)-B(218)\n! JVS(175) = Jac_FULL(76,154)\n JVS(175) = -B(209)\n! JVS(176) = Jac_FULL(77,77)\n JVS(176) = -B(188)\n! JVS(177) = Jac_FULL(77,78)\n JVS(177) = B(191)\n! JVS(178) = Jac_FULL(78,77)\n JVS(178) = B(188)\n! JVS(179) = Jac_FULL(78,78)\n JVS(179) = -B(191)-B(210)-B(212)-B(219)\n! JVS(180) = Jac_FULL(78,154)\n JVS(180) = -B(213)\n! JVS(181) = Jac_FULL(79,79)\n JVS(181) = -B(223)\n! JVS(182) = Jac_FULL(79,105)\n JVS(182) = B(228)\n! JVS(183) = Jac_FULL(80,80)\n JVS(183) = -B(224)\n! JVS(184) = Jac_FULL(80,135)\n JVS(184) = B(229)\n! JVS(185) = Jac_FULL(81,81)\n JVS(185) = -B(225)\n! JVS(186) = Jac_FULL(81,144)\n JVS(186) = B(230)\n! JVS(187) = Jac_FULL(82,82)\n JVS(187) = -B(13)\n! JVS(188) = Jac_FULL(82,155)\n JVS(188) = B(29)\n! JVS(189) = Jac_FULL(83,83)\n JVS(189) = -B(227)\n! JVS(190) = Jac_FULL(83,134)\n JVS(190) = B(232)\n! JVS(191) = Jac_FULL(84,84)\n JVS(191) = -B(226)\n! JVS(192) = Jac_FULL(84,119)\n JVS(192) = B(231)\n! JVS(193) = Jac_FULL(85,85)\n JVS(193) = -B(5)\n! JVS(194) = Jac_FULL(85,146)\n JVS(194) = B(21)\n! JVS(195) = Jac_FULL(86,86)\n JVS(195) = -B(2)\n! JVS(196) = Jac_FULL(86,107)\n JVS(196) = B(18)\n! JVS(197) = Jac_FULL(87,87)\n JVS(197) = -B(3)\n! JVS(198) = Jac_FULL(87,125)\n JVS(198) = B(19)\n! JVS(199) = Jac_FULL(88,88)\n JVS(199) = -B(4)\n! JVS(200) = Jac_FULL(88,108)\n JVS(200) = B(20)\n! JVS(201) = Jac_FULL(89,89)\n JVS(201) = -B(6)\n! JVS(202) = Jac_FULL(89,158)\n JVS(202) = B(22)\n! JVS(203) = Jac_FULL(90,90)\n JVS(203) = -B(7)\n! JVS(204) = Jac_FULL(90,142)\n JVS(204) = B(23)\n! JVS(205) = Jac_FULL(91,91)\n JVS(205) = -B(8)\n! JVS(206) = Jac_FULL(91,121)\n JVS(206) = B(24)\n! JVS(207) = Jac_FULL(92,92)\n JVS(207) = -B(9)\n! JVS(208) = Jac_FULL(92,122)\n JVS(208) = B(25)\n! JVS(209) = Jac_FULL(93,93)\n JVS(209) = -B(10)\n! JVS(210) = Jac_FULL(93,111)\n JVS(210) = B(26)\n! JVS(211) = Jac_FULL(94,94)\n JVS(211) = -B(11)\n! JVS(212) = Jac_FULL(94,106)\n JVS(212) = B(27)\n! JVS(213) = Jac_FULL(95,95)\n JVS(213) = -B(12)\n! JVS(214) = Jac_FULL(95,113)\n JVS(214) = B(28)\n! JVS(215) = Jac_FULL(96,96)\n JVS(215) = -B(14)\n! JVS(216) = Jac_FULL(96,159)\n JVS(216) = B(30)\n! JVS(217) = Jac_FULL(97,97)\n JVS(217) = -B(16)\n! JVS(218) = Jac_FULL(97,150)\n JVS(218) = B(32)\n! JVS(219) = Jac_FULL(98,98)\n JVS(219) = -B(310)\n! JVS(220) = Jac_FULL(98,127)\n JVS(220) = B(312)\n! JVS(221) = Jac_FULL(99,99)\n JVS(221) = -B(311)\n! JVS(222) = Jac_FULL(99,120)\n JVS(222) = B(313)\n! JVS(223) = Jac_FULL(100,100)\n JVS(223) = -B(1)\n! JVS(224) = Jac_FULL(100,145)\n JVS(224) = B(17)\n! JVS(225) = Jac_FULL(101,101)\n JVS(225) = -B(186)\n! JVS(226) = Jac_FULL(101,116)\n JVS(226) = B(189)\n! JVS(227) = Jac_FULL(102,102)\n JVS(227) = -B(196)-B(215)\n! JVS(228) = Jac_FULL(102,116)\n JVS(228) = B(192)-B(197)\n! JVS(229) = Jac_FULL(103,103)\n JVS(229) = -B(198)-B(216)\n! JVS(230) = Jac_FULL(103,116)\n JVS(230) = B(194)-B(199)\n! JVS(231) = Jac_FULL(103,154)\n JVS(231) = B(195)\n! JVS(232) = Jac_FULL(104,104)\n JVS(232) = -B(333)-B(369)\n! JVS(233) = Jac_FULL(104,120)\n JVS(233) = B(344)\n! JVS(234) = Jac_FULL(104,127)\n JVS(234) = B(331)\n! JVS(235) = Jac_FULL(104,157)\n JVS(235) = B(322)+B(332)+B(345)\n! JVS(236) = Jac_FULL(104,161)\n JVS(236) = B(323)\n! JVS(237) = Jac_FULL(105,79)\n JVS(237) = B(223)\n! JVS(238) = Jac_FULL(105,105)\n JVS(238) = -B(228)-B(258)-B(260)-B(304)\n! JVS(239) = Jac_FULL(105,161)\n JVS(239) = -B(259)-B(261)\n! JVS(240) = Jac_FULL(106,94)\n JVS(240) = B(11)\n! JVS(241) = Jac_FULL(106,105)\n JVS(241) = B(260)\n! JVS(242) = Jac_FULL(106,106)\n JVS(242) = -B(27)-B(152)-B(266)\n! JVS(243) = Jac_FULL(106,161)\n JVS(243) = B(261)-B(267)\n! JVS(244) = Jac_FULL(107,86)\n JVS(244) = B(2)\n! JVS(245) = Jac_FULL(107,107)\n JVS(245) = -B(18)-B(43)-B(142)\n! JVS(246) = Jac_FULL(107,147)\n JVS(246) = B(59)\n! JVS(247) = Jac_FULL(107,156)\n JVS(247) = B(60)\n! JVS(248) = Jac_FULL(108,88)\n JVS(248) = B(4)\n! JVS(249) = Jac_FULL(108,108)\n JVS(249) = -B(20)-B(46)-B(144)\n! JVS(250) = Jac_FULL(108,109)\n JVS(250) = B(65)\n! JVS(251) = Jac_FULL(108,153)\n JVS(251) = B(66)\n! JVS(252) = Jac_FULL(109,2)\n JVS(252) = B(34)\n! JVS(253) = Jac_FULL(109,108)\n JVS(253) = B(46)\n! JVS(254) = Jac_FULL(109,109)\n JVS(254) = -B(65)-B(156)\n! JVS(255) = Jac_FULL(109,153)\n JVS(255) = -B(66)\n! JVS(256) = Jac_FULL(110,110)\n JVS(256) = -B(50)-B(150)\n! JVS(257) = Jac_FULL(110,124)\n JVS(257) = B(73)\n! JVS(258) = Jac_FULL(110,156)\n JVS(258) = B(74)\n! JVS(259) = Jac_FULL(111,93)\n JVS(259) = B(10)\n! JVS(260) = Jac_FULL(111,111)\n JVS(260) = -B(26)-B(48)-B(151)\n! JVS(261) = Jac_FULL(111,112)\n JVS(261) = B(69)\n! JVS(262) = Jac_FULL(111,156)\n JVS(262) = B(70)\n! JVS(263) = Jac_FULL(112,3)\n JVS(263) = B(35)\n! JVS(264) = Jac_FULL(112,111)\n JVS(264) = B(48)\n! JVS(265) = Jac_FULL(112,112)\n JVS(265) = -B(69)-B(157)\n! JVS(266) = Jac_FULL(112,156)\n JVS(266) = -B(70)\n! JVS(267) = Jac_FULL(113,95)\n JVS(267) = B(12)\n! JVS(268) = Jac_FULL(113,113)\n JVS(268) = -B(28)-B(153)-B(278)\n! JVS(269) = Jac_FULL(113,161)\n JVS(269) = -B(279)\n! JVS(270) = Jac_FULL(114,114)\n JVS(270) = -B(63)-B(173)\n! JVS(271) = Jac_FULL(114,115)\n JVS(271) = B(45)\n! JVS(272) = Jac_FULL(114,156)\n JVS(272) = -B(64)\n! JVS(273) = Jac_FULL(115,114)\n JVS(273) = B(63)\n! JVS(274) = Jac_FULL(115,115)\n JVS(274) = -B(45)-B(61)-B(172)\n! JVS(275) = Jac_FULL(115,125)\n JVS(275) = B(44)\n! JVS(276) = Jac_FULL(115,156)\n JVS(276) = -B(62)+B(64)\n! JVS(277) = Jac_FULL(116,101)\n JVS(277) = B(186)\n! JVS(278) = Jac_FULL(116,102)\n JVS(278) = -B(196)\n! JVS(279) = Jac_FULL(116,103)\n JVS(279) = -B(198)\n! JVS(280) = Jac_FULL(116,116)\n JVS(280) = -B(189)-B(192)-B(194)-B(197)-B(199)-B(200)-B(202)-B(204)-B(214)\n! JVS(281) = Jac_FULL(116,147)\n JVS(281) = -B(205)\n! JVS(282) = Jac_FULL(116,154)\n JVS(282) = -B(195)-B(203)\n! JVS(283) = Jac_FULL(117,117)\n JVS(283) = -B(256)-B(292)-B(309)\n! JVS(284) = Jac_FULL(117,118)\n JVS(284) = B(362)\n! JVS(285) = Jac_FULL(117,119)\n JVS(285) = B(254)\n! JVS(286) = Jac_FULL(117,153)\n JVS(286) = B(363)\n! JVS(287) = Jac_FULL(117,161)\n JVS(287) = -B(293)\n! JVS(288) = Jac_FULL(118,118)\n JVS(288) = -B(361)-B(362)-B(364)-B(374)\n! JVS(289) = Jac_FULL(118,119)\n JVS(289) = B(357)+B(359)\n! JVS(290) = Jac_FULL(118,153)\n JVS(290) = -B(363)\n! JVS(291) = Jac_FULL(118,157)\n JVS(291) = B(358)\n! JVS(292) = Jac_FULL(118,160)\n JVS(292) = B(360)\n! JVS(293) = Jac_FULL(118,161)\n JVS(293) = -B(365)\n! JVS(294) = Jac_FULL(119,84)\n JVS(294) = B(226)\n! JVS(295) = Jac_FULL(119,117)\n JVS(295) = B(256)\n! JVS(296) = Jac_FULL(119,118)\n JVS(296) = B(361)\n! JVS(297) = Jac_FULL(119,119)\n JVS(297) = -B(231)-B(254)-B(308)-B(357)-B(359)\n! JVS(298) = Jac_FULL(119,153)\n JVS(298) = 0\n! JVS(299) = Jac_FULL(119,157)\n JVS(299) = -B(358)\n! JVS(300) = Jac_FULL(119,160)\n JVS(300) = -B(360)\n! JVS(301) = Jac_FULL(119,161)\n JVS(301) = 0\n! JVS(302) = Jac_FULL(120,99)\n JVS(302) = B(311)\n! JVS(303) = Jac_FULL(120,120)\n JVS(303) = -B(313)-2*B(343)-B(344)-B(367)\n! JVS(304) = Jac_FULL(120,157)\n JVS(304) = -B(345)\n! JVS(305) = Jac_FULL(121,91)\n JVS(305) = B(8)\n! JVS(306) = Jac_FULL(121,120)\n JVS(306) = B(344)\n! JVS(307) = Jac_FULL(121,121)\n JVS(307) = -B(24)-B(113)-B(148)\n! JVS(308) = Jac_FULL(121,156)\n JVS(308) = -B(114)\n! JVS(309) = Jac_FULL(121,157)\n JVS(309) = -B(115)+B(345)\n! JVS(310) = Jac_FULL(122,92)\n JVS(310) = B(9)\n! JVS(311) = Jac_FULL(122,122)\n JVS(311) = -B(25)-B(116)-B(119)-B(149)\n! JVS(312) = Jac_FULL(122,156)\n JVS(312) = -B(117)\n! JVS(313) = Jac_FULL(122,157)\n JVS(313) = -B(118)-B(120)\n! JVS(314) = Jac_FULL(123,123)\n JVS(314) = -B(341)-B(368)\n! JVS(315) = Jac_FULL(123,127)\n JVS(315) = B(329)\n! JVS(316) = Jac_FULL(123,143)\n JVS(316) = 2*B(337)\n! JVS(317) = Jac_FULL(123,154)\n JVS(317) = B(330)\n! JVS(318) = Jac_FULL(124,110)\n JVS(318) = B(50)\n! JVS(319) = Jac_FULL(124,123)\n JVS(319) = B(341)\n! JVS(320) = Jac_FULL(124,124)\n JVS(320) = -B(51)-B(73)-B(175)\n! JVS(321) = Jac_FULL(124,127)\n JVS(321) = 0\n! JVS(322) = Jac_FULL(124,143)\n JVS(322) = 0\n! JVS(323) = Jac_FULL(124,154)\n JVS(323) = B(75)\n! JVS(324) = Jac_FULL(124,156)\n JVS(324) = -B(74)+B(76)\n! JVS(325) = Jac_FULL(125,87)\n JVS(325) = B(3)\n! JVS(326) = Jac_FULL(125,115)\n JVS(326) = B(61)\n! JVS(327) = Jac_FULL(125,125)\n JVS(327) = -B(19)-B(44)-B(143)\n! JVS(328) = Jac_FULL(125,129)\n JVS(328) = 2*B(272)\n! JVS(329) = Jac_FULL(125,131)\n JVS(329) = B(276)\n! JVS(330) = Jac_FULL(125,132)\n JVS(330) = B(274)\n! JVS(331) = Jac_FULL(125,133)\n JVS(331) = B(282)\n! JVS(332) = Jac_FULL(125,134)\n JVS(332) = B(280)\n! JVS(333) = Jac_FULL(125,138)\n JVS(333) = B(346)\n! JVS(334) = Jac_FULL(125,142)\n JVS(334) = B(290)\n! JVS(335) = Jac_FULL(125,156)\n JVS(335) = B(62)\n! JVS(336) = Jac_FULL(125,161)\n JVS(336) = 2*B(273)+B(275)+B(277)+B(281)+B(283)+B(291)+B(347)\n! JVS(337) = Jac_FULL(126,74)\n JVS(337) = B(15)\n! JVS(338) = Jac_FULL(126,126)\n JVS(338) = -B(31)-B(53)-B(139)-B(179)\n! JVS(339) = Jac_FULL(126,152)\n JVS(339) = B(79)\n! JVS(340) = Jac_FULL(126,156)\n JVS(340) = B(80)\n! JVS(341) = Jac_FULL(126,161)\n JVS(341) = -B(140)\n! JVS(342) = Jac_FULL(127,98)\n JVS(342) = B(310)\n! JVS(343) = Jac_FULL(127,127)\n JVS(343) = -B(312)-B(329)-B(331)-B(366)\n! JVS(344) = Jac_FULL(127,154)\n JVS(344) = -B(330)\n! JVS(345) = Jac_FULL(127,157)\n JVS(345) = -B(332)\n! JVS(346) = Jac_FULL(128,128)\n JVS(346) = -B(338)-B(372)\n! JVS(347) = Jac_FULL(128,143)\n JVS(347) = B(335)\n! JVS(348) = Jac_FULL(128,155)\n JVS(348) = B(336)\n! JVS(349) = Jac_FULL(128,156)\n JVS(349) = -B(339)\n! JVS(350) = Jac_FULL(128,157)\n JVS(350) = -B(340)\n! JVS(351) = Jac_FULL(129,129)\n JVS(351) = -B(234)-B(272)-B(296)\n! JVS(352) = Jac_FULL(129,132)\n JVS(352) = B(241)\n! JVS(353) = Jac_FULL(129,137)\n JVS(353) = B(268)\n! JVS(354) = Jac_FULL(129,156)\n JVS(354) = B(242)\n! JVS(355) = Jac_FULL(129,161)\n JVS(355) = B(269)-B(273)\n! JVS(356) = Jac_FULL(130,130)\n JVS(356) = -B(81)-B(134)-B(181)\n! JVS(357) = Jac_FULL(130,150)\n JVS(357) = B(54)\n! JVS(358) = Jac_FULL(130,151)\n JVS(358) = B(326)\n! JVS(359) = Jac_FULL(130,156)\n JVS(359) = -B(82)\n! JVS(360) = Jac_FULL(130,159)\n JVS(360) = B(327)\n! JVS(361) = Jac_FULL(131,131)\n JVS(361) = -B(243)-B(276)-B(298)\n! JVS(362) = Jac_FULL(131,132)\n JVS(362) = B(235)\n! JVS(363) = Jac_FULL(131,156)\n JVS(363) = -B(244)\n! JVS(364) = Jac_FULL(131,161)\n JVS(364) = -B(277)\n! JVS(365) = Jac_FULL(132,129)\n JVS(365) = B(234)\n! JVS(366) = Jac_FULL(132,131)\n JVS(366) = B(243)\n! JVS(367) = Jac_FULL(132,132)\n JVS(367) = -B(235)-B(241)-B(274)-B(297)\n! JVS(368) = Jac_FULL(132,137)\n JVS(368) = 0\n! JVS(369) = Jac_FULL(132,141)\n JVS(369) = B(270)\n! JVS(370) = Jac_FULL(132,156)\n JVS(370) = -B(242)+B(244)\n! JVS(371) = Jac_FULL(132,161)\n JVS(371) = B(271)-B(275)\n! JVS(372) = Jac_FULL(133,113)\n JVS(372) = 0.92*B(278)\n! JVS(373) = Jac_FULL(133,133)\n JVS(373) = -B(245)-B(282)-B(300)\n! JVS(374) = Jac_FULL(133,134)\n JVS(374) = B(236)\n! JVS(375) = Jac_FULL(133,156)\n JVS(375) = -B(246)\n! JVS(376) = Jac_FULL(133,161)\n JVS(376) = 0.92*B(279)-B(283)\n! JVS(377) = Jac_FULL(134,83)\n JVS(377) = B(227)\n! JVS(378) = Jac_FULL(134,133)\n JVS(378) = B(245)\n! JVS(379) = Jac_FULL(134,134)\n JVS(379) = -B(232)-B(236)-B(280)-B(299)\n! JVS(380) = Jac_FULL(134,156)\n JVS(380) = B(246)\n! JVS(381) = Jac_FULL(134,161)\n JVS(381) = -B(281)\n! JVS(382) = Jac_FULL(135,80)\n JVS(382) = B(224)\n! JVS(383) = Jac_FULL(135,134)\n JVS(383) = B(280)\n! JVS(384) = Jac_FULL(135,135)\n JVS(384) = -B(229)-B(238)-B(284)-B(301)\n! JVS(385) = Jac_FULL(135,136)\n JVS(385) = B(249)\n! JVS(386) = Jac_FULL(135,156)\n JVS(386) = B(250)\n! JVS(387) = Jac_FULL(135,161)\n JVS(387) = B(281)-B(285)\n! JVS(388) = Jac_FULL(136,133)\n JVS(388) = B(282)\n! JVS(389) = Jac_FULL(136,134)\n JVS(389) = 0\n! JVS(390) = Jac_FULL(136,135)\n JVS(390) = B(238)\n! JVS(391) = Jac_FULL(136,136)\n JVS(391) = -B(249)-B(286)-B(302)\n! JVS(392) = Jac_FULL(136,156)\n JVS(392) = -B(250)\n! JVS(393) = Jac_FULL(136,161)\n JVS(393) = B(283)-B(287)\n! JVS(394) = Jac_FULL(137,106)\n JVS(394) = B(266)\n! JVS(395) = Jac_FULL(137,135)\n JVS(395) = 0.85*B(284)\n! JVS(396) = Jac_FULL(137,136)\n JVS(396) = 0\n! JVS(397) = Jac_FULL(137,137)\n JVS(397) = -B(233)-B(268)-B(294)\n! JVS(398) = Jac_FULL(137,141)\n JVS(398) = B(239)\n! JVS(399) = Jac_FULL(137,156)\n JVS(399) = B(240)\n! JVS(400) = Jac_FULL(137,161)\n JVS(400) = B(267)-B(269)+0.85*B(285)\n! JVS(401) = Jac_FULL(138,138)\n JVS(401) = -B(67)-B(174)-B(346)\n! JVS(402) = Jac_FULL(138,142)\n JVS(402) = B(47)\n! JVS(403) = Jac_FULL(138,156)\n JVS(403) = -B(68)\n! JVS(404) = Jac_FULL(138,161)\n JVS(404) = -B(347)\n! JVS(405) = Jac_FULL(139,105)\n JVS(405) = B(258)\n! JVS(406) = Jac_FULL(139,139)\n JVS(406) = -B(237)-B(262)-B(305)\n! JVS(407) = Jac_FULL(139,140)\n JVS(407) = B(247)\n! JVS(408) = Jac_FULL(139,156)\n JVS(408) = B(248)\n! JVS(409) = Jac_FULL(139,161)\n JVS(409) = B(259)-B(263)\n! JVS(410) = Jac_FULL(140,139)\n JVS(410) = B(237)\n! JVS(411) = Jac_FULL(140,140)\n JVS(411) = -B(247)-B(264)-B(306)\n! JVS(412) = Jac_FULL(140,156)\n JVS(412) = -B(248)\n! JVS(413) = Jac_FULL(140,161)\n JVS(413) = -B(265)\n! JVS(414) = Jac_FULL(141,113)\n JVS(414) = 0.08*B(278)\n! JVS(415) = Jac_FULL(141,136)\n JVS(415) = 0.85*B(286)\n! JVS(416) = Jac_FULL(141,137)\n JVS(416) = B(233)\n! JVS(417) = Jac_FULL(141,139)\n JVS(417) = B(262)\n! JVS(418) = Jac_FULL(141,140)\n JVS(418) = B(264)\n! JVS(419) = Jac_FULL(141,141)\n JVS(419) = -B(239)-B(270)-B(295)\n! JVS(420) = Jac_FULL(141,156)\n JVS(420) = -B(240)\n! JVS(421) = Jac_FULL(141,161)\n JVS(421) = B(263)+B(265)-B(271)+0.08*B(279)+0.85*B(287)\n! JVS(422) = Jac_FULL(142,90)\n JVS(422) = B(7)\n! JVS(423) = Jac_FULL(142,138)\n JVS(423) = B(67)\n! JVS(424) = Jac_FULL(142,142)\n JVS(424) = -B(23)-B(47)-B(147)-B(290)\n! JVS(425) = Jac_FULL(142,148)\n JVS(425) = B(355)\n! JVS(426) = Jac_FULL(142,149)\n JVS(426) = B(288)\n! JVS(427) = Jac_FULL(142,156)\n JVS(427) = B(68)\n! JVS(428) = Jac_FULL(142,161)\n JVS(428) = B(289)-B(291)+B(356)\n! JVS(429) = Jac_FULL(143,104)\n JVS(429) = B(333)\n! JVS(430) = Jac_FULL(143,120)\n JVS(430) = 0\n! JVS(431) = Jac_FULL(143,127)\n JVS(431) = 0\n! JVS(432) = Jac_FULL(143,143)\n JVS(432) = -B(335)-2*B(337)-B(371)\n! JVS(433) = Jac_FULL(143,154)\n JVS(433) = 0\n! JVS(434) = Jac_FULL(143,155)\n JVS(434) = -B(336)\n! JVS(435) = Jac_FULL(143,157)\n JVS(435) = 0\n! JVS(436) = Jac_FULL(143,161)\n JVS(436) = 0\n! JVS(437) = Jac_FULL(144,81)\n JVS(437) = B(225)\n! JVS(438) = Jac_FULL(144,120)\n JVS(438) = 2*B(343)\n! JVS(439) = Jac_FULL(144,144)\n JVS(439) = -B(230)-B(251)-B(307)-B(348)-B(350)\n! JVS(440) = Jac_FULL(144,148)\n JVS(440) = B(352)\n! JVS(441) = Jac_FULL(144,149)\n JVS(441) = B(253)\n! JVS(442) = Jac_FULL(144,157)\n JVS(442) = -B(349)\n! JVS(443) = Jac_FULL(144,160)\n JVS(443) = -B(351)\n! JVS(444) = Jac_FULL(145,13)\n JVS(444) = -B(98)-B(104)\n! JVS(445) = Jac_FULL(145,14)\n JVS(445) = -B(92)-B(105)\n! JVS(446) = Jac_FULL(145,100)\n JVS(446) = B(1)\n! JVS(447) = Jac_FULL(145,145)\n JVS(447) = -B(17)-B(41)-B(86)-B(93)-B(99)-B(106)-B(126)-B(141)\n! JVS(448) = Jac_FULL(145,156)\n JVS(448) = B(55)\n! JVS(449) = Jac_FULL(145,157)\n JVS(449) = B(56)\n! JVS(450) = Jac_FULL(145,158)\n JVS(450) = -B(87)\n! JVS(451) = Jac_FULL(145,159)\n JVS(451) = -B(127)\n! JVS(452) = Jac_FULL(146,85)\n JVS(452) = B(5)\n! JVS(453) = Jac_FULL(146,146)\n JVS(453) = -B(21)-B(83)-B(145)-B(257)-B(320)\n! JVS(454) = Jac_FULL(146,151)\n JVS(454) = B(122)\n! JVS(455) = Jac_FULL(146,155)\n JVS(455) = B(121)+B(123)\n! JVS(456) = Jac_FULL(146,156)\n JVS(456) = -B(84)\n! JVS(457) = Jac_FULL(146,157)\n JVS(457) = -B(85)\n! JVS(458) = Jac_FULL(146,161)\n JVS(458) = B(315)-B(321)\n! JVS(459) = Jac_FULL(147,1)\n JVS(459) = B(33)\n! JVS(460) = Jac_FULL(147,107)\n JVS(460) = B(43)\n! JVS(461) = Jac_FULL(147,116)\n JVS(461) = -B(204)\n! JVS(462) = Jac_FULL(147,127)\n JVS(462) = B(329)+B(331)\n! JVS(463) = Jac_FULL(147,147)\n JVS(463) = -B(59)-B(155)-B(205)-B(314)\n! JVS(464) = Jac_FULL(147,150)\n JVS(464) = B(132)\n! JVS(465) = Jac_FULL(147,152)\n JVS(465) = B(135)\n! JVS(466) = Jac_FULL(147,154)\n JVS(466) = B(330)\n! JVS(467) = Jac_FULL(147,156)\n JVS(467) = -B(60)\n! JVS(468) = Jac_FULL(147,157)\n JVS(468) = B(133)+B(332)\n! JVS(469) = Jac_FULL(147,158)\n JVS(469) = B(136)\n! JVS(470) = Jac_FULL(148,144)\n JVS(470) = B(348)+B(350)\n! JVS(471) = Jac_FULL(148,148)\n JVS(471) = -B(352)-B(353)-B(355)-B(370)\n! JVS(472) = Jac_FULL(148,149)\n JVS(472) = 0\n! JVS(473) = Jac_FULL(148,153)\n JVS(473) = -B(354)\n! JVS(474) = Jac_FULL(148,157)\n JVS(474) = B(349)\n! JVS(475) = Jac_FULL(148,160)\n JVS(475) = B(351)\n! JVS(476) = Jac_FULL(148,161)\n JVS(476) = -B(356)\n! JVS(477) = Jac_FULL(149,135)\n JVS(477) = 0.15*B(284)\n! JVS(478) = Jac_FULL(149,136)\n JVS(478) = 0.15*B(286)\n! JVS(479) = Jac_FULL(149,144)\n JVS(479) = B(251)\n! JVS(480) = Jac_FULL(149,148)\n JVS(480) = B(353)\n! JVS(481) = Jac_FULL(149,149)\n JVS(481) = -B(253)-B(288)-B(303)\n! JVS(482) = Jac_FULL(149,153)\n JVS(482) = B(354)\n! JVS(483) = Jac_FULL(149,156)\n JVS(483) = 0\n! JVS(484) = Jac_FULL(149,157)\n JVS(484) = 0\n! JVS(485) = Jac_FULL(149,160)\n JVS(485) = 0\n! JVS(486) = Jac_FULL(149,161)\n JVS(486) = 0.15*B(285)+0.15*B(287)-B(289)\n! JVS(487) = Jac_FULL(150,97)\n JVS(487) = B(16)\n! JVS(488) = Jac_FULL(150,130)\n JVS(488) = B(81)\n! JVS(489) = Jac_FULL(150,150)\n JVS(489) = -B(32)-B(54)-B(132)-B(182)-B(328)\n! JVS(490) = Jac_FULL(150,151)\n JVS(490) = 0\n! JVS(491) = Jac_FULL(150,155)\n JVS(491) = B(324)\n! JVS(492) = Jac_FULL(150,156)\n JVS(492) = B(82)\n! JVS(493) = Jac_FULL(150,157)\n JVS(493) = -B(133)\n! JVS(494) = Jac_FULL(150,159)\n JVS(494) = B(325)\n! JVS(495) = Jac_FULL(151,151)\n JVS(495) = -B(77)-B(122)-B(124)-B(176)-B(318)-B(326)\n! JVS(496) = Jac_FULL(151,155)\n JVS(496) = B(52)-B(123)\n! JVS(497) = Jac_FULL(151,156)\n JVS(497) = -B(78)\n! JVS(498) = Jac_FULL(151,158)\n JVS(498) = -B(125)\n! JVS(499) = Jac_FULL(151,159)\n JVS(499) = -B(327)\n! JVS(500) = Jac_FULL(151,161)\n JVS(500) = -B(319)\n! JVS(501) = Jac_FULL(152,126)\n JVS(501) = B(53)\n! JVS(502) = Jac_FULL(152,130)\n JVS(502) = B(134)\n! JVS(503) = Jac_FULL(152,145)\n JVS(503) = 2*B(126)\n! JVS(504) = Jac_FULL(152,150)\n JVS(504) = 0\n! JVS(505) = Jac_FULL(152,151)\n JVS(505) = 0\n! JVS(506) = Jac_FULL(152,152)\n JVS(506) = -B(79)-B(135)-B(137)-B(180)\n! JVS(507) = Jac_FULL(152,155)\n JVS(507) = 0\n! JVS(508) = Jac_FULL(152,156)\n JVS(508) = -B(80)\n! JVS(509) = Jac_FULL(152,157)\n JVS(509) = 2*B(128)\n! JVS(510) = Jac_FULL(152,158)\n JVS(510) = -B(136)\n! JVS(511) = Jac_FULL(152,159)\n JVS(511) = 2*B(127)+2*B(129)+2*B(130)\n! JVS(512) = Jac_FULL(152,160)\n JVS(512) = 2*B(131)\n! JVS(513) = Jac_FULL(152,161)\n JVS(513) = -B(138)\n! JVS(514) = Jac_FULL(153,108)\n JVS(514) = B(46)\n! JVS(515) = Jac_FULL(153,109)\n JVS(515) = -B(65)\n! JVS(516) = Jac_FULL(153,131)\n JVS(516) = B(276)\n! JVS(517) = Jac_FULL(153,132)\n JVS(517) = 0\n! JVS(518) = Jac_FULL(153,137)\n JVS(518) = 0\n! JVS(519) = Jac_FULL(153,138)\n JVS(519) = B(346)\n! JVS(520) = Jac_FULL(153,141)\n JVS(520) = 0\n! JVS(521) = Jac_FULL(153,142)\n JVS(521) = 0\n! JVS(522) = Jac_FULL(153,144)\n JVS(522) = B(350)\n! JVS(523) = Jac_FULL(153,147)\n JVS(523) = B(314)\n! JVS(524) = Jac_FULL(153,148)\n JVS(524) = -B(353)\n! JVS(525) = Jac_FULL(153,149)\n JVS(525) = 0\n! JVS(526) = Jac_FULL(153,150)\n JVS(526) = 0\n! JVS(527) = Jac_FULL(153,151)\n JVS(527) = B(122)+B(124)+B(318)\n! JVS(528) = Jac_FULL(153,152)\n JVS(528) = B(137)\n! JVS(529) = Jac_FULL(153,153)\n JVS(529) = -B(66)-B(71)-B(169)-B(354)\n! JVS(530) = Jac_FULL(153,154)\n JVS(530) = 0\n! JVS(531) = Jac_FULL(153,155)\n JVS(531) = B(123)\n! JVS(532) = Jac_FULL(153,156)\n JVS(532) = -B(72)\n! JVS(533) = Jac_FULL(153,157)\n JVS(533) = 0\n! JVS(534) = Jac_FULL(153,158)\n JVS(534) = B(125)\n! JVS(535) = Jac_FULL(153,159)\n JVS(535) = 0\n! JVS(536) = Jac_FULL(153,160)\n JVS(536) = B(351)\n! JVS(537) = Jac_FULL(153,161)\n JVS(537) = B(138)+B(277)+B(319)+B(347)\n! JVS(538) = Jac_FULL(154,5)\n JVS(538) = B(37)\n! JVS(539) = Jac_FULL(154,13)\n JVS(539) = B(98)+B(100)+B(102)+B(104)+B(107)+B(110)\n! JVS(540) = Jac_FULL(154,14)\n JVS(540) = B(92)+B(94)+B(96)+B(105)+B(108)+B(111)\n! JVS(541) = Jac_FULL(154,76)\n JVS(541) = -B(208)\n! JVS(542) = Jac_FULL(154,78)\n JVS(542) = -B(212)\n! JVS(543) = Jac_FULL(154,116)\n JVS(543) = -B(194)-B(202)\n! JVS(544) = Jac_FULL(154,121)\n JVS(544) = B(113)\n! JVS(545) = Jac_FULL(154,122)\n JVS(545) = B(116)+B(119)\n! JVS(546) = Jac_FULL(154,124)\n JVS(546) = B(51)\n! JVS(547) = Jac_FULL(154,127)\n JVS(547) = -B(329)\n! JVS(548) = Jac_FULL(154,128)\n JVS(548) = 2*B(338)\n! JVS(549) = Jac_FULL(154,143)\n JVS(549) = 0\n! JVS(550) = Jac_FULL(154,145)\n JVS(550) = B(86)+B(93)+B(99)+B(106)+B(126)\n! JVS(551) = Jac_FULL(154,146)\n JVS(551) = B(83)\n! JVS(552) = Jac_FULL(154,147)\n JVS(552) = 0\n! JVS(553) = Jac_FULL(154,150)\n JVS(553) = B(132)\n! JVS(554) = Jac_FULL(154,151)\n JVS(554) = 0\n! JVS(555) = Jac_FULL(154,152)\n JVS(555) = 0\n! JVS(556) = Jac_FULL(154,154)\n JVS(556) = -B(75)-B(154)-B(195)-B(203)-B(209)-B(213)-B(330)\n! JVS(557) = Jac_FULL(154,155)\n JVS(557) = 0\n! JVS(558) = Jac_FULL(154,156)\n JVS(558) = -B(76)+B(84)+B(114)+B(117)+2*B(339)\n! JVS(559) = Jac_FULL(154,157)\n JVS(559) = B(85)+B(88)+B(95)+B(101)+B(109)+B(115)+B(118)+B(120)+B(128)+B(133)+2*B(340)\n! JVS(560) = Jac_FULL(154,158)\n JVS(560) = B(87)+B(89)+B(90)\n! JVS(561) = Jac_FULL(154,159)\n JVS(561) = B(127)+B(129)+B(130)\n! JVS(562) = Jac_FULL(154,160)\n JVS(562) = B(91)+B(97)+B(103)+B(112)+B(131)\n! JVS(563) = Jac_FULL(154,161)\n JVS(563) = 0\n! JVS(564) = Jac_FULL(155,82)\n JVS(564) = B(13)\n! JVS(565) = Jac_FULL(155,105)\n JVS(565) = B(258)+B(260)\n! JVS(566) = Jac_FULL(155,106)\n JVS(566) = B(266)\n! JVS(567) = Jac_FULL(155,113)\n JVS(567) = B(278)\n! JVS(568) = Jac_FULL(155,120)\n JVS(568) = 2*B(343)\n! JVS(569) = Jac_FULL(155,133)\n JVS(569) = B(282)\n! JVS(570) = Jac_FULL(155,134)\n JVS(570) = B(280)\n! JVS(571) = Jac_FULL(155,137)\n JVS(571) = B(268)\n! JVS(572) = Jac_FULL(155,138)\n JVS(572) = B(346)\n! JVS(573) = Jac_FULL(155,139)\n JVS(573) = B(262)\n! JVS(574) = Jac_FULL(155,140)\n JVS(574) = B(264)\n! JVS(575) = Jac_FULL(155,141)\n JVS(575) = B(270)\n! JVS(576) = Jac_FULL(155,142)\n JVS(576) = B(290)\n! JVS(577) = Jac_FULL(155,143)\n JVS(577) = -B(335)\n! JVS(578) = Jac_FULL(155,146)\n JVS(578) = B(320)\n! JVS(579) = Jac_FULL(155,148)\n JVS(579) = B(355)\n! JVS(580) = Jac_FULL(155,149)\n JVS(580) = B(288)\n! JVS(581) = Jac_FULL(155,150)\n JVS(581) = B(328)\n! JVS(582) = Jac_FULL(155,151)\n JVS(582) = B(77)-B(122)\n! JVS(583) = Jac_FULL(155,153)\n JVS(583) = 0\n! JVS(584) = Jac_FULL(155,154)\n JVS(584) = 0\n! JVS(585) = Jac_FULL(155,155)\n JVS(585) = -B(29)-B(52)-2*B(121)-B(123)-B(177)-B(316)-B(324)-B(336)\n! JVS(586) = Jac_FULL(155,156)\n JVS(586) = B(78)\n! JVS(587) = Jac_FULL(155,157)\n JVS(587) = 0\n! JVS(588) = Jac_FULL(155,158)\n JVS(588) = 0\n! JVS(589) = Jac_FULL(155,159)\n JVS(589) = -B(325)\n! JVS(590) = Jac_FULL(155,160)\n JVS(590) = 0\n! JVS(591) = Jac_FULL(155,161)\n JVS(591) = B(259)+B(261)+B(263)+B(265)+B(267)+B(269)+B(271)+B(279)+B(281)+B(283)+B(289)+B(291)-B(317)+B(321)+B(347)&\n &+B(356)\n! JVS(592) = Jac_FULL(156,13)\n JVS(592) = 2*B(98)+B(100)+2*B(104)+B(107)\n! JVS(593) = Jac_FULL(156,14)\n JVS(593) = 2*B(92)+B(94)+2*B(105)+B(108)\n! JVS(594) = Jac_FULL(156,107)\n JVS(594) = B(43)\n! JVS(595) = Jac_FULL(156,110)\n JVS(595) = B(50)\n! JVS(596) = Jac_FULL(156,111)\n JVS(596) = B(48)\n! JVS(597) = Jac_FULL(156,112)\n JVS(597) = -B(69)\n! JVS(598) = Jac_FULL(156,114)\n JVS(598) = -B(63)\n! JVS(599) = Jac_FULL(156,115)\n JVS(599) = B(45)-B(61)\n! JVS(600) = Jac_FULL(156,121)\n JVS(600) = B(113)\n! JVS(601) = Jac_FULL(156,122)\n JVS(601) = B(116)+B(119)\n! JVS(602) = Jac_FULL(156,124)\n JVS(602) = B(51)-B(73)\n! JVS(603) = Jac_FULL(156,125)\n JVS(603) = B(44)\n! JVS(604) = Jac_FULL(156,126)\n JVS(604) = B(53)\n! JVS(605) = Jac_FULL(156,127)\n JVS(605) = B(331)\n! JVS(606) = Jac_FULL(156,128)\n JVS(606) = 2*B(338)\n! JVS(607) = Jac_FULL(156,129)\n JVS(607) = B(234)\n! JVS(608) = Jac_FULL(156,130)\n JVS(608) = -B(81)\n! JVS(609) = Jac_FULL(156,131)\n JVS(609) = -B(243)\n! JVS(610) = Jac_FULL(156,132)\n JVS(610) = B(235)-B(241)\n! JVS(611) = Jac_FULL(156,133)\n JVS(611) = -B(245)\n! JVS(612) = Jac_FULL(156,134)\n JVS(612) = B(236)\n! JVS(613) = Jac_FULL(156,135)\n JVS(613) = B(238)\n! JVS(614) = Jac_FULL(156,136)\n JVS(614) = -B(249)\n! JVS(615) = Jac_FULL(156,137)\n JVS(615) = B(233)\n! JVS(616) = Jac_FULL(156,138)\n JVS(616) = -B(67)\n! JVS(617) = Jac_FULL(156,139)\n JVS(617) = B(237)+B(262)\n! JVS(618) = Jac_FULL(156,140)\n JVS(618) = -B(247)\n! JVS(619) = Jac_FULL(156,141)\n JVS(619) = -B(239)\n! JVS(620) = Jac_FULL(156,142)\n JVS(620) = B(47)\n! JVS(621) = Jac_FULL(156,143)\n JVS(621) = 0\n! JVS(622) = Jac_FULL(156,145)\n JVS(622) = B(41)+2*B(86)+2*B(93)+2*B(99)+2*B(106)+4*B(126)\n! JVS(623) = Jac_FULL(156,146)\n JVS(623) = B(83)\n! JVS(624) = Jac_FULL(156,147)\n JVS(624) = -B(59)\n! JVS(625) = Jac_FULL(156,148)\n JVS(625) = 0\n! JVS(626) = Jac_FULL(156,149)\n JVS(626) = 0\n! JVS(627) = Jac_FULL(156,150)\n JVS(627) = B(54)+2*B(132)\n! JVS(628) = Jac_FULL(156,151)\n JVS(628) = -B(77)\n! JVS(629) = Jac_FULL(156,152)\n JVS(629) = -B(79)\n! JVS(630) = Jac_FULL(156,153)\n JVS(630) = -B(71)\n! JVS(631) = Jac_FULL(156,154)\n JVS(631) = -B(75)\n! JVS(632) = Jac_FULL(156,155)\n JVS(632) = B(52)\n! JVS(633) = Jac_FULL(156,156)\n JVS(633) = -B(55)-B(57)-B(60)-B(62)-B(64)-B(68)-B(70)-B(72)-B(74)-B(76)-B(78)-B(80)-B(82)+B(84)+B(114)+B(117)-B(168)&\n &-B(240)-B(242)-B(244)-B(246)-B(248)-B(250)+2*B(339)\n! JVS(634) = Jac_FULL(156,157)\n JVS(634) = B(42)-B(56)+B(85)+B(88)+B(95)+B(101)+B(109)+B(115)+B(118)+B(120)+3*B(128)+2*B(133)+B(332)+2*B(340)\n! JVS(635) = Jac_FULL(156,158)\n JVS(635) = 2*B(87)+B(89)\n! JVS(636) = Jac_FULL(156,159)\n JVS(636) = 4*B(127)+3*B(129)+2*B(130)\n! JVS(637) = Jac_FULL(156,160)\n JVS(637) = -B(58)+2*B(131)\n! JVS(638) = Jac_FULL(156,161)\n JVS(638) = B(263)\n! JVS(639) = Jac_FULL(157,13)\n JVS(639) = -B(100)-B(107)\n! JVS(640) = Jac_FULL(157,14)\n JVS(640) = -B(94)-B(108)\n! JVS(641) = Jac_FULL(157,120)\n JVS(641) = -B(344)\n! JVS(642) = Jac_FULL(157,121)\n JVS(642) = -B(113)\n! JVS(643) = Jac_FULL(157,122)\n JVS(643) = -B(116)-B(119)\n! JVS(644) = Jac_FULL(157,127)\n JVS(644) = -B(331)\n! JVS(645) = Jac_FULL(157,128)\n JVS(645) = -B(338)\n! JVS(646) = Jac_FULL(157,143)\n JVS(646) = 0\n! JVS(647) = Jac_FULL(157,144)\n JVS(647) = -B(348)\n! JVS(648) = Jac_FULL(157,145)\n JVS(648) = B(41)\n! JVS(649) = Jac_FULL(157,146)\n JVS(649) = -B(83)\n! JVS(650) = Jac_FULL(157,148)\n JVS(650) = B(352)+B(355)\n! JVS(651) = Jac_FULL(157,149)\n JVS(651) = 0\n! JVS(652) = Jac_FULL(157,150)\n JVS(652) = -B(132)\n! JVS(653) = Jac_FULL(157,151)\n JVS(653) = 0\n! JVS(654) = Jac_FULL(157,153)\n JVS(654) = 0\n! JVS(655) = Jac_FULL(157,154)\n JVS(655) = 0\n! JVS(656) = Jac_FULL(157,155)\n JVS(656) = 0\n! JVS(657) = Jac_FULL(157,156)\n JVS(657) = -B(55)+B(57)-B(84)-B(114)-B(117)-B(339)\n! JVS(658) = Jac_FULL(157,157)\n JVS(658) = -B(42)-B(56)-B(85)-B(88)-B(95)-B(101)-B(109)-B(115)-B(118)-B(120)-B(128)-B(133)-B(170)-B(322)-B(332)-B(340)&\n &-B(345)-B(349)\n! JVS(659) = Jac_FULL(157,158)\n JVS(659) = -B(89)\n! JVS(660) = Jac_FULL(157,159)\n JVS(660) = -B(129)\n! JVS(661) = Jac_FULL(157,160)\n JVS(661) = B(58)\n! JVS(662) = Jac_FULL(157,161)\n JVS(662) = -B(323)+B(356)\n! JVS(663) = Jac_FULL(158,89)\n JVS(663) = B(6)\n! JVS(664) = Jac_FULL(158,145)\n JVS(664) = -B(86)\n! JVS(665) = Jac_FULL(158,151)\n JVS(665) = -B(124)\n! JVS(666) = Jac_FULL(158,152)\n JVS(666) = -B(135)\n! JVS(667) = Jac_FULL(158,155)\n JVS(667) = 0\n! JVS(668) = Jac_FULL(158,156)\n JVS(668) = 0\n! JVS(669) = Jac_FULL(158,157)\n JVS(669) = -B(88)\n! JVS(670) = Jac_FULL(158,158)\n JVS(670) = -B(22)-B(87)-B(89)-B(90)-B(125)-B(136)-B(146)\n! JVS(671) = Jac_FULL(158,159)\n JVS(671) = 0\n! JVS(672) = Jac_FULL(158,160)\n JVS(672) = -B(91)\n! JVS(673) = Jac_FULL(158,161)\n JVS(673) = 0\n! JVS(674) = Jac_FULL(159,96)\n JVS(674) = B(14)\n! JVS(675) = Jac_FULL(159,126)\n JVS(675) = B(139)\n! JVS(676) = Jac_FULL(159,145)\n JVS(676) = -2*B(126)\n! JVS(677) = Jac_FULL(159,147)\n JVS(677) = B(314)\n! JVS(678) = Jac_FULL(159,150)\n JVS(678) = B(328)\n! JVS(679) = Jac_FULL(159,151)\n JVS(679) = -B(326)\n! JVS(680) = Jac_FULL(159,152)\n JVS(680) = B(137)\n! JVS(681) = Jac_FULL(159,154)\n JVS(681) = 0\n! JVS(682) = Jac_FULL(159,155)\n JVS(682) = -B(324)\n! JVS(683) = Jac_FULL(159,156)\n JVS(683) = 0\n! JVS(684) = Jac_FULL(159,157)\n JVS(684) = -2*B(128)\n! JVS(685) = Jac_FULL(159,158)\n JVS(685) = 0\n! JVS(686) = Jac_FULL(159,159)\n JVS(686) = -B(30)-2*B(127)-2*B(129)-2*B(130)-B(178)-B(325)-B(327)\n! JVS(687) = Jac_FULL(159,160)\n JVS(687) = -2*B(131)\n! JVS(688) = Jac_FULL(159,161)\n JVS(688) = B(138)+B(140)\n! JVS(689) = Jac_FULL(160,13)\n JVS(689) = -B(102)-B(110)\n! JVS(690) = Jac_FULL(160,14)\n JVS(690) = -B(96)-B(111)\n! JVS(691) = Jac_FULL(160,144)\n JVS(691) = -B(350)\n! JVS(692) = Jac_FULL(160,148)\n JVS(692) = B(353)\n! JVS(693) = Jac_FULL(160,149)\n JVS(693) = 0\n! JVS(694) = Jac_FULL(160,153)\n JVS(694) = B(354)\n! JVS(695) = Jac_FULL(160,154)\n JVS(695) = 0\n! JVS(696) = Jac_FULL(160,155)\n JVS(696) = 0\n! JVS(697) = Jac_FULL(160,156)\n JVS(697) = -B(57)\n! JVS(698) = Jac_FULL(160,157)\n JVS(698) = B(42)\n! JVS(699) = Jac_FULL(160,158)\n JVS(699) = -B(90)\n! JVS(700) = Jac_FULL(160,159)\n JVS(700) = -B(130)\n! JVS(701) = Jac_FULL(160,160)\n JVS(701) = -B(58)-B(91)-B(97)-B(103)-B(112)-B(131)-B(171)-B(351)\n! JVS(702) = Jac_FULL(160,161)\n JVS(702) = 0\n! JVS(703) = Jac_FULL(161,105)\n JVS(703) = -B(258)-B(260)\n! JVS(704) = Jac_FULL(161,106)\n JVS(704) = -B(266)\n! JVS(705) = Jac_FULL(161,113)\n JVS(705) = -B(278)\n! JVS(706) = Jac_FULL(161,123)\n JVS(706) = B(341)\n! JVS(707) = Jac_FULL(161,126)\n JVS(707) = -B(139)\n! JVS(708) = Jac_FULL(161,127)\n JVS(708) = 0\n! JVS(709) = Jac_FULL(161,129)\n JVS(709) = -2*B(272)\n! JVS(710) = Jac_FULL(161,131)\n JVS(710) = -B(276)\n! JVS(711) = Jac_FULL(161,132)\n JVS(711) = -B(274)\n! JVS(712) = Jac_FULL(161,133)\n JVS(712) = -B(282)\n! JVS(713) = Jac_FULL(161,134)\n JVS(713) = -B(280)\n! JVS(714) = Jac_FULL(161,135)\n JVS(714) = -B(284)\n! JVS(715) = Jac_FULL(161,136)\n JVS(715) = -B(286)\n! JVS(716) = Jac_FULL(161,137)\n JVS(716) = -B(268)\n! JVS(717) = Jac_FULL(161,138)\n JVS(717) = -B(346)\n! JVS(718) = Jac_FULL(161,139)\n JVS(718) = -B(262)\n! JVS(719) = Jac_FULL(161,140)\n JVS(719) = -B(264)\n! JVS(720) = Jac_FULL(161,141)\n JVS(720) = -B(270)\n! JVS(721) = Jac_FULL(161,142)\n JVS(721) = -B(290)\n! JVS(722) = Jac_FULL(161,143)\n JVS(722) = 0\n! JVS(723) = Jac_FULL(161,146)\n JVS(723) = 2*B(257)-B(320)\n! JVS(724) = Jac_FULL(161,147)\n JVS(724) = B(314)\n! JVS(725) = Jac_FULL(161,148)\n JVS(725) = -B(355)\n! JVS(726) = Jac_FULL(161,149)\n JVS(726) = -B(288)\n! JVS(727) = Jac_FULL(161,150)\n JVS(727) = 0\n! JVS(728) = Jac_FULL(161,151)\n JVS(728) = B(124)-B(318)\n! JVS(729) = Jac_FULL(161,152)\n JVS(729) = -B(137)\n! JVS(730) = Jac_FULL(161,153)\n JVS(730) = 0\n! JVS(731) = Jac_FULL(161,154)\n JVS(731) = 0\n! JVS(732) = Jac_FULL(161,155)\n JVS(732) = -B(316)\n! JVS(733) = Jac_FULL(161,156)\n JVS(733) = 0\n! JVS(734) = Jac_FULL(161,157)\n JVS(734) = -B(322)\n! JVS(735) = Jac_FULL(161,158)\n JVS(735) = B(125)\n! JVS(736) = Jac_FULL(161,159)\n JVS(736) = 0\n! JVS(737) = Jac_FULL(161,160)\n JVS(737) = 0\n! JVS(738) = Jac_FULL(161,161)\n JVS(738) = -B(138)-B(140)-B(184)-B(185)-B(259)-B(261)-B(263)-B(265)-B(267)-B(269)-B(271)-2*B(273)-B(275)-B(277)-B(279)&\n &-B(281)-B(283)-B(285)-B(287)-B(289)-B(291)-2*B(315)-B(317)-B(319)-B(321)-B(323)-B(347)-B(356)\n \nEND SUBROUTINE Jac_SP\n\n! End of Jac_SP function\n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\n\n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n! \n! Jac_SP_Vec - function for sparse multiplication: sparse Jacobian times vector\n! Arguments :\n! JVS - sparse Jacobian of variables\n! UV - User vector for variables\n! JUV - Jacobian times user vector\n! \n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\nSUBROUTINE Jac_SP_Vec ( JVS, UV, JUV )\n\n! JVS - sparse Jacobian of variables\n REAL(kind=dp) :: JVS(LU_NONZERO)\n! UV - User vector for variables\n REAL(kind=dp) :: UV(NVAR)\n! JUV - Jacobian times user vector\n REAL(kind=dp) :: JUV(NVAR)\n\n JUV(1) = JVS(1)*UV(1)\n JUV(2) = JVS(2)*UV(2)\n JUV(3) = JVS(3)*UV(3)\n JUV(4) = JVS(4)*UV(4)\n JUV(5) = JVS(5)*UV(5)\n JUV(6) = JVS(6)*UV(6)\n JUV(7) = JVS(7)*UV(7)\n JUV(8) = JVS(8)*UV(8)\n JUV(9) = JVS(9)*UV(8)+JVS(10)*UV(9)\n JUV(10) = JVS(11)*UV(6)+JVS(12)*UV(10)\n JUV(11) = JVS(13)*UV(11)\n JUV(12) = JVS(14)*UV(7)+JVS(15)*UV(12)\n JUV(13) = JVS(16)*UV(13)\n JUV(14) = JVS(17)*UV(14)\n JUV(15) = JVS(18)*UV(15)\n JUV(16) = JVS(19)*UV(16)\n JUV(17) = JVS(20)*UV(17)\n JUV(18) = JVS(21)*UV(4)+JVS(22)*UV(18)\n JUV(19) = JVS(23)*UV(19)+JVS(24)*UV(104)+JVS(25)*UV(123)+JVS(26)*UV(128)+JVS(27)*UV(143)+JVS(28)*UV(145)+JVS(29)&\n &*UV(148)+JVS(30)*UV(157)+JVS(31)*UV(160)\n JUV(20) = JVS(32)*UV(20)+JVS(33)*UV(107)\n JUV(21) = JVS(34)*UV(21)+JVS(35)*UV(22)+JVS(36)*UV(114)+JVS(37)*UV(115)+JVS(38)*UV(125)\n JUV(22) = JVS(39)*UV(22)+JVS(40)*UV(131)+JVS(41)*UV(132)+JVS(42)*UV(161)\n JUV(23) = JVS(43)*UV(23)+JVS(44)*UV(108)\n JUV(24) = JVS(45)*UV(24)+JVS(46)*UV(146)\n JUV(25) = JVS(47)*UV(25)+JVS(48)*UV(158)\n JUV(26) = JVS(49)*UV(26)+JVS(50)*UV(138)+JVS(51)*UV(142)\n JUV(27) = JVS(52)*UV(27)+JVS(53)*UV(121)\n JUV(28) = JVS(54)*UV(28)+JVS(55)*UV(122)\n JUV(29) = JVS(56)*UV(29)+JVS(57)*UV(110)+JVS(58)*UV(124)+JVS(59)*UV(154)\n JUV(30) = JVS(60)*UV(30)+JVS(61)*UV(111)\n JUV(31) = JVS(62)*UV(31)+JVS(63)*UV(106)\n JUV(32) = JVS(64)*UV(32)+JVS(65)*UV(113)\n JUV(33) = JVS(66)*UV(33)+JVS(67)*UV(161)\n JUV(34) = JVS(68)*UV(34)+JVS(69)*UV(147)\n JUV(35) = JVS(70)*UV(35)+JVS(71)*UV(109)\n JUV(36) = JVS(72)*UV(36)+JVS(73)*UV(112)\n JUV(37) = JVS(74)*UV(9)+JVS(75)*UV(37)\n JUV(38) = JVS(76)*UV(13)+JVS(77)*UV(38)\n JUV(39) = JVS(78)*UV(14)+JVS(79)*UV(39)\n JUV(40) = JVS(80)*UV(10)+JVS(81)*UV(40)\n JUV(41) = JVS(82)*UV(11)+JVS(83)*UV(41)\n JUV(42) = JVS(84)*UV(12)+JVS(85)*UV(42)\n JUV(43) = JVS(86)*UV(43)+JVS(87)*UV(156)\n JUV(44) = JVS(88)*UV(15)+JVS(89)*UV(44)\n JUV(45) = JVS(90)*UV(16)+JVS(91)*UV(45)\n JUV(46) = JVS(92)*UV(17)+JVS(93)*UV(46)\n JUV(47) = JVS(94)*UV(18)+JVS(95)*UV(47)\n JUV(48) = JVS(96)*UV(48)+JVS(97)*UV(159)\n JUV(49) = JVS(98)*UV(49)+JVS(99)*UV(126)+JVS(100)*UV(152)\n JUV(50) = JVS(101)*UV(50)+JVS(102)*UV(130)+JVS(103)*UV(150)\n JUV(51) = JVS(104)*UV(51)+JVS(105)*UV(116)\n JUV(52) = JVS(106)*UV(52)+JVS(107)*UV(53)+JVS(108)*UV(102)\n JUV(53) = JVS(109)*UV(53)+JVS(110)*UV(116)+JVS(111)*UV(147)+JVS(112)*UV(154)\n JUV(54) = JVS(113)*UV(54)+JVS(114)*UV(103)\n JUV(55) = JVS(115)*UV(55)+JVS(116)*UV(56)\n JUV(56) = JVS(117)*UV(56)+JVS(118)*UV(102)+JVS(119)*UV(103)+JVS(120)*UV(116)\n JUV(57) = JVS(121)*UV(57)+JVS(122)*UV(76)\n JUV(58) = JVS(123)*UV(58)+JVS(124)*UV(78)\n JUV(59) = JVS(125)*UV(59)+JVS(126)*UV(60)\n JUV(60) = JVS(127)*UV(60)+JVS(128)*UV(76)+JVS(129)*UV(78)\n JUV(61) = JVS(130)*UV(61)+JVS(131)*UV(62)\n JUV(62) = JVS(132)*UV(62)+JVS(133)*UV(76)+JVS(134)*UV(78)+JVS(135)*UV(154)\n JUV(63) = JVS(136)*UV(63)+JVS(137)*UV(137)+JVS(138)*UV(141)\n JUV(64) = JVS(139)*UV(64)+JVS(140)*UV(129)+JVS(141)*UV(131)+JVS(142)*UV(132)\n JUV(65) = JVS(143)*UV(65)+JVS(144)*UV(133)+JVS(145)*UV(134)\n JUV(66) = JVS(146)*UV(66)+JVS(147)*UV(135)+JVS(148)*UV(136)\n JUV(67) = JVS(149)*UV(67)+JVS(150)*UV(144)+JVS(151)*UV(148)+JVS(152)*UV(149)\n JUV(68) = JVS(153)*UV(68)+JVS(154)*UV(151)+JVS(155)*UV(155)\n JUV(69) = JVS(156)*UV(69)+JVS(157)*UV(105)\n JUV(70) = JVS(158)*UV(70)+JVS(159)*UV(139)+JVS(160)*UV(140)\n JUV(71) = JVS(161)*UV(71)+JVS(162)*UV(117)+JVS(163)*UV(118)+JVS(164)*UV(119)\n JUV(72) = JVS(165)*UV(72)+JVS(166)*UV(127)\n JUV(73) = JVS(167)*UV(73)+JVS(168)*UV(120)\n JUV(74) = JVS(169)*UV(74)+JVS(170)*UV(126)\n JUV(75) = JVS(171)*UV(75)+JVS(172)*UV(76)\n JUV(76) = JVS(173)*UV(75)+JVS(174)*UV(76)+JVS(175)*UV(154)\n JUV(77) = JVS(176)*UV(77)+JVS(177)*UV(78)\n JUV(78) = JVS(178)*UV(77)+JVS(179)*UV(78)+JVS(180)*UV(154)\n JUV(79) = JVS(181)*UV(79)+JVS(182)*UV(105)\n JUV(80) = JVS(183)*UV(80)+JVS(184)*UV(135)\n JUV(81) = JVS(185)*UV(81)+JVS(186)*UV(144)\n JUV(82) = JVS(187)*UV(82)+JVS(188)*UV(155)\n JUV(83) = JVS(189)*UV(83)+JVS(190)*UV(134)\n JUV(84) = JVS(191)*UV(84)+JVS(192)*UV(119)\n JUV(85) = JVS(193)*UV(85)+JVS(194)*UV(146)\n JUV(86) = JVS(195)*UV(86)+JVS(196)*UV(107)\n JUV(87) = JVS(197)*UV(87)+JVS(198)*UV(125)\n JUV(88) = JVS(199)*UV(88)+JVS(200)*UV(108)\n JUV(89) = JVS(201)*UV(89)+JVS(202)*UV(158)\n JUV(90) = JVS(203)*UV(90)+JVS(204)*UV(142)\n JUV(91) = JVS(205)*UV(91)+JVS(206)*UV(121)\n JUV(92) = JVS(207)*UV(92)+JVS(208)*UV(122)\n JUV(93) = JVS(209)*UV(93)+JVS(210)*UV(111)\n JUV(94) = JVS(211)*UV(94)+JVS(212)*UV(106)\n JUV(95) = JVS(213)*UV(95)+JVS(214)*UV(113)\n JUV(96) = JVS(215)*UV(96)+JVS(216)*UV(159)\n JUV(97) = JVS(217)*UV(97)+JVS(218)*UV(150)\n JUV(98) = JVS(219)*UV(98)+JVS(220)*UV(127)\n JUV(99) = JVS(221)*UV(99)+JVS(222)*UV(120)\n JUV(100) = JVS(223)*UV(100)+JVS(224)*UV(145)\n JUV(101) = JVS(225)*UV(101)+JVS(226)*UV(116)\n JUV(102) = JVS(227)*UV(102)+JVS(228)*UV(116)\n JUV(103) = JVS(229)*UV(103)+JVS(230)*UV(116)+JVS(231)*UV(154)\n JUV(104) = JVS(232)*UV(104)+JVS(233)*UV(120)+JVS(234)*UV(127)+JVS(235)*UV(157)+JVS(236)*UV(161)\n JUV(105) = JVS(237)*UV(79)+JVS(238)*UV(105)+JVS(239)*UV(161)\n JUV(106) = JVS(240)*UV(94)+JVS(241)*UV(105)+JVS(242)*UV(106)+JVS(243)*UV(161)\n JUV(107) = JVS(244)*UV(86)+JVS(245)*UV(107)+JVS(246)*UV(147)+JVS(247)*UV(156)\n JUV(108) = JVS(248)*UV(88)+JVS(249)*UV(108)+JVS(250)*UV(109)+JVS(251)*UV(153)\n JUV(109) = JVS(252)*UV(2)+JVS(253)*UV(108)+JVS(254)*UV(109)+JVS(255)*UV(153)\n JUV(110) = JVS(256)*UV(110)+JVS(257)*UV(124)+JVS(258)*UV(156)\n JUV(111) = JVS(259)*UV(93)+JVS(260)*UV(111)+JVS(261)*UV(112)+JVS(262)*UV(156)\n JUV(112) = JVS(263)*UV(3)+JVS(264)*UV(111)+JVS(265)*UV(112)+JVS(266)*UV(156)\n JUV(113) = JVS(267)*UV(95)+JVS(268)*UV(113)+JVS(269)*UV(161)\n JUV(114) = JVS(270)*UV(114)+JVS(271)*UV(115)+JVS(272)*UV(156)\n JUV(115) = JVS(273)*UV(114)+JVS(274)*UV(115)+JVS(275)*UV(125)+JVS(276)*UV(156)\n JUV(116) = JVS(277)*UV(101)+JVS(278)*UV(102)+JVS(279)*UV(103)+JVS(280)*UV(116)+JVS(281)*UV(147)+JVS(282)*UV(154)\n JUV(117) = JVS(283)*UV(117)+JVS(284)*UV(118)+JVS(285)*UV(119)+JVS(286)*UV(153)+JVS(287)*UV(161)\n JUV(118) = JVS(288)*UV(118)+JVS(289)*UV(119)+JVS(290)*UV(153)+JVS(291)*UV(157)+JVS(292)*UV(160)+JVS(293)*UV(161)\n JUV(119) = JVS(294)*UV(84)+JVS(295)*UV(117)+JVS(296)*UV(118)+JVS(297)*UV(119)+JVS(299)*UV(157)+JVS(300)*UV(160)\n JUV(120) = JVS(302)*UV(99)+JVS(303)*UV(120)+JVS(304)*UV(157)\n JUV(121) = JVS(305)*UV(91)+JVS(306)*UV(120)+JVS(307)*UV(121)+JVS(308)*UV(156)+JVS(309)*UV(157)\n JUV(122) = JVS(310)*UV(92)+JVS(311)*UV(122)+JVS(312)*UV(156)+JVS(313)*UV(157)\n JUV(123) = JVS(314)*UV(123)+JVS(315)*UV(127)+JVS(316)*UV(143)+JVS(317)*UV(154)\n JUV(124) = JVS(318)*UV(110)+JVS(319)*UV(123)+JVS(320)*UV(124)+JVS(323)*UV(154)+JVS(324)*UV(156)\n JUV(125) = JVS(325)*UV(87)+JVS(326)*UV(115)+JVS(327)*UV(125)+JVS(328)*UV(129)+JVS(329)*UV(131)+JVS(330)*UV(132)&\n &+JVS(331)*UV(133)+JVS(332)*UV(134)+JVS(333)*UV(138)+JVS(334)*UV(142)+JVS(335)*UV(156)+JVS(336)*UV(161)\n JUV(126) = JVS(337)*UV(74)+JVS(338)*UV(126)+JVS(339)*UV(152)+JVS(340)*UV(156)+JVS(341)*UV(161)\n JUV(127) = JVS(342)*UV(98)+JVS(343)*UV(127)+JVS(344)*UV(154)+JVS(345)*UV(157)\n JUV(128) = JVS(346)*UV(128)+JVS(347)*UV(143)+JVS(348)*UV(155)+JVS(349)*UV(156)+JVS(350)*UV(157)\n JUV(129) = JVS(351)*UV(129)+JVS(352)*UV(132)+JVS(353)*UV(137)+JVS(354)*UV(156)+JVS(355)*UV(161)\n JUV(130) = JVS(356)*UV(130)+JVS(357)*UV(150)+JVS(358)*UV(151)+JVS(359)*UV(156)+JVS(360)*UV(159)\n JUV(131) = JVS(361)*UV(131)+JVS(362)*UV(132)+JVS(363)*UV(156)+JVS(364)*UV(161)\n JUV(132) = JVS(365)*UV(129)+JVS(366)*UV(131)+JVS(367)*UV(132)+JVS(369)*UV(141)+JVS(370)*UV(156)+JVS(371)*UV(161)\n JUV(133) = JVS(372)*UV(113)+JVS(373)*UV(133)+JVS(374)*UV(134)+JVS(375)*UV(156)+JVS(376)*UV(161)\n JUV(134) = JVS(377)*UV(83)+JVS(378)*UV(133)+JVS(379)*UV(134)+JVS(380)*UV(156)+JVS(381)*UV(161)\n JUV(135) = JVS(382)*UV(80)+JVS(383)*UV(134)+JVS(384)*UV(135)+JVS(385)*UV(136)+JVS(386)*UV(156)+JVS(387)*UV(161)\n JUV(136) = JVS(388)*UV(133)+JVS(390)*UV(135)+JVS(391)*UV(136)+JVS(392)*UV(156)+JVS(393)*UV(161)\n JUV(137) = JVS(394)*UV(106)+JVS(395)*UV(135)+JVS(397)*UV(137)+JVS(398)*UV(141)+JVS(399)*UV(156)+JVS(400)*UV(161)\n JUV(138) = JVS(401)*UV(138)+JVS(402)*UV(142)+JVS(403)*UV(156)+JVS(404)*UV(161)\n JUV(139) = JVS(405)*UV(105)+JVS(406)*UV(139)+JVS(407)*UV(140)+JVS(408)*UV(156)+JVS(409)*UV(161)\n JUV(140) = JVS(410)*UV(139)+JVS(411)*UV(140)+JVS(412)*UV(156)+JVS(413)*UV(161)\n JUV(141) = JVS(414)*UV(113)+JVS(415)*UV(136)+JVS(416)*UV(137)+JVS(417)*UV(139)+JVS(418)*UV(140)+JVS(419)*UV(141)&\n &+JVS(420)*UV(156)+JVS(421)*UV(161)\n JUV(142) = JVS(422)*UV(90)+JVS(423)*UV(138)+JVS(424)*UV(142)+JVS(425)*UV(148)+JVS(426)*UV(149)+JVS(427)*UV(156)&\n &+JVS(428)*UV(161)\n JUV(143) = JVS(429)*UV(104)+JVS(432)*UV(143)+JVS(434)*UV(155)\n JUV(144) = JVS(437)*UV(81)+JVS(438)*UV(120)+JVS(439)*UV(144)+JVS(440)*UV(148)+JVS(441)*UV(149)+JVS(442)*UV(157)&\n &+JVS(443)*UV(160)\n JUV(145) = JVS(444)*UV(13)+JVS(445)*UV(14)+JVS(446)*UV(100)+JVS(447)*UV(145)+JVS(448)*UV(156)+JVS(449)*UV(157)&\n &+JVS(450)*UV(158)+JVS(451)*UV(159)\n JUV(146) = JVS(452)*UV(85)+JVS(453)*UV(146)+JVS(454)*UV(151)+JVS(455)*UV(155)+JVS(456)*UV(156)+JVS(457)*UV(157)&\n &+JVS(458)*UV(161)\n JUV(147) = JVS(459)*UV(1)+JVS(460)*UV(107)+JVS(461)*UV(116)+JVS(462)*UV(127)+JVS(463)*UV(147)+JVS(464)*UV(150)&\n &+JVS(465)*UV(152)+JVS(466)*UV(154)+JVS(467)*UV(156)+JVS(468)*UV(157)+JVS(469)*UV(158)\n JUV(148) = JVS(470)*UV(144)+JVS(471)*UV(148)+JVS(473)*UV(153)+JVS(474)*UV(157)+JVS(475)*UV(160)+JVS(476)*UV(161)\n JUV(149) = JVS(477)*UV(135)+JVS(478)*UV(136)+JVS(479)*UV(144)+JVS(480)*UV(148)+JVS(481)*UV(149)+JVS(482)*UV(153)&\n &+JVS(486)*UV(161)\n JUV(150) = JVS(487)*UV(97)+JVS(488)*UV(130)+JVS(489)*UV(150)+JVS(491)*UV(155)+JVS(492)*UV(156)+JVS(493)*UV(157)&\n &+JVS(494)*UV(159)\n JUV(151) = JVS(495)*UV(151)+JVS(496)*UV(155)+JVS(497)*UV(156)+JVS(498)*UV(158)+JVS(499)*UV(159)+JVS(500)*UV(161)\n JUV(152) = JVS(501)*UV(126)+JVS(502)*UV(130)+JVS(503)*UV(145)+JVS(506)*UV(152)+JVS(508)*UV(156)+JVS(509)*UV(157)&\n &+JVS(510)*UV(158)+JVS(511)*UV(159)+JVS(512)*UV(160)+JVS(513)*UV(161)\n JUV(153) = JVS(514)*UV(108)+JVS(515)*UV(109)+JVS(516)*UV(131)+JVS(519)*UV(138)+JVS(522)*UV(144)+JVS(523)*UV(147)&\n &+JVS(524)*UV(148)+JVS(527)*UV(151)+JVS(528)*UV(152)+JVS(529)*UV(153)+JVS(531)*UV(155)+JVS(532)*UV(156)&\n &+JVS(534)*UV(158)+JVS(536)*UV(160)+JVS(537)*UV(161)\n JUV(154) = JVS(538)*UV(5)+JVS(539)*UV(13)+JVS(540)*UV(14)+JVS(541)*UV(76)+JVS(542)*UV(78)+JVS(543)*UV(116)+JVS(544)&\n &*UV(121)+JVS(545)*UV(122)+JVS(546)*UV(124)+JVS(547)*UV(127)+JVS(548)*UV(128)+JVS(550)*UV(145)+JVS(551)&\n &*UV(146)+JVS(553)*UV(150)+JVS(556)*UV(154)+JVS(558)*UV(156)+JVS(559)*UV(157)+JVS(560)*UV(158)+JVS(561)&\n &*UV(159)+JVS(562)*UV(160)\n JUV(155) = JVS(564)*UV(82)+JVS(565)*UV(105)+JVS(566)*UV(106)+JVS(567)*UV(113)+JVS(568)*UV(120)+JVS(569)*UV(133)&\n &+JVS(570)*UV(134)+JVS(571)*UV(137)+JVS(572)*UV(138)+JVS(573)*UV(139)+JVS(574)*UV(140)+JVS(575)*UV(141)&\n &+JVS(576)*UV(142)+JVS(577)*UV(143)+JVS(578)*UV(146)+JVS(579)*UV(148)+JVS(580)*UV(149)+JVS(581)*UV(150)&\n &+JVS(582)*UV(151)+JVS(585)*UV(155)+JVS(586)*UV(156)+JVS(589)*UV(159)+JVS(591)*UV(161)\n JUV(156) = JVS(592)*UV(13)+JVS(593)*UV(14)+JVS(594)*UV(107)+JVS(595)*UV(110)+JVS(596)*UV(111)+JVS(597)*UV(112)&\n &+JVS(598)*UV(114)+JVS(599)*UV(115)+JVS(600)*UV(121)+JVS(601)*UV(122)+JVS(602)*UV(124)+JVS(603)*UV(125)&\n &+JVS(604)*UV(126)+JVS(605)*UV(127)+JVS(606)*UV(128)+JVS(607)*UV(129)+JVS(608)*UV(130)+JVS(609)*UV(131)&\n &+JVS(610)*UV(132)+JVS(611)*UV(133)+JVS(612)*UV(134)+JVS(613)*UV(135)+JVS(614)*UV(136)+JVS(615)*UV(137)&\n &+JVS(616)*UV(138)+JVS(617)*UV(139)+JVS(618)*UV(140)+JVS(619)*UV(141)+JVS(620)*UV(142)+JVS(622)*UV(145)&\n &+JVS(623)*UV(146)+JVS(624)*UV(147)+JVS(627)*UV(150)+JVS(628)*UV(151)+JVS(629)*UV(152)+JVS(630)*UV(153)&\n &+JVS(631)*UV(154)+JVS(632)*UV(155)+JVS(633)*UV(156)+JVS(634)*UV(157)+JVS(635)*UV(158)+JVS(636)*UV(159)&\n &+JVS(637)*UV(160)+JVS(638)*UV(161)\n JUV(157) = JVS(639)*UV(13)+JVS(640)*UV(14)+JVS(641)*UV(120)+JVS(642)*UV(121)+JVS(643)*UV(122)+JVS(644)*UV(127)&\n &+JVS(645)*UV(128)+JVS(647)*UV(144)+JVS(648)*UV(145)+JVS(649)*UV(146)+JVS(650)*UV(148)+JVS(652)*UV(150)&\n &+JVS(657)*UV(156)+JVS(658)*UV(157)+JVS(659)*UV(158)+JVS(660)*UV(159)+JVS(661)*UV(160)+JVS(662)*UV(161)\n JUV(158) = JVS(663)*UV(89)+JVS(664)*UV(145)+JVS(665)*UV(151)+JVS(666)*UV(152)+JVS(669)*UV(157)+JVS(670)*UV(158)&\n &+JVS(672)*UV(160)\n JUV(159) = JVS(674)*UV(96)+JVS(675)*UV(126)+JVS(676)*UV(145)+JVS(677)*UV(147)+JVS(678)*UV(150)+JVS(679)*UV(151)&\n &+JVS(680)*UV(152)+JVS(682)*UV(155)+JVS(684)*UV(157)+JVS(686)*UV(159)+JVS(687)*UV(160)+JVS(688)*UV(161)\n JUV(160) = JVS(689)*UV(13)+JVS(690)*UV(14)+JVS(691)*UV(144)+JVS(692)*UV(148)+JVS(694)*UV(153)+JVS(697)*UV(156)&\n &+JVS(698)*UV(157)+JVS(699)*UV(158)+JVS(700)*UV(159)+JVS(701)*UV(160)\n JUV(161) = JVS(703)*UV(105)+JVS(704)*UV(106)+JVS(705)*UV(113)+JVS(706)*UV(123)+JVS(707)*UV(126)+JVS(709)*UV(129)&\n &+JVS(710)*UV(131)+JVS(711)*UV(132)+JVS(712)*UV(133)+JVS(713)*UV(134)+JVS(714)*UV(135)+JVS(715)*UV(136)&\n &+JVS(716)*UV(137)+JVS(717)*UV(138)+JVS(718)*UV(139)+JVS(719)*UV(140)+JVS(720)*UV(141)+JVS(721)*UV(142)&\n &+JVS(723)*UV(146)+JVS(724)*UV(147)+JVS(725)*UV(148)+JVS(726)*UV(149)+JVS(728)*UV(151)+JVS(729)*UV(152)&\n &+JVS(732)*UV(155)+JVS(734)*UV(157)+JVS(735)*UV(158)+JVS(738)*UV(161)\n \nEND SUBROUTINE Jac_SP_Vec\n\n! End of Jac_SP_Vec function\n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\n\n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n! \n! JacTR_SP_Vec - sparse multiplication: sparse Jacobian transposed times vector\n! Arguments :\n! JVS - sparse Jacobian of variables\n! UV - User vector for variables\n! JTUV - Jacobian transposed times user vector\n! \n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\nSUBROUTINE JacTR_SP_Vec ( JVS, UV, JTUV )\n\n! JVS - sparse Jacobian of variables\n REAL(kind=dp) :: JVS(LU_NONZERO)\n! UV - User vector for variables\n REAL(kind=dp) :: UV(NVAR)\n! JTUV - Jacobian transposed times user vector\n REAL(kind=dp) :: JTUV(NVAR)\n\n JTUV(1) = JVS(1)*UV(1)+JVS(459)*UV(147)\n JTUV(2) = JVS(2)*UV(2)+JVS(252)*UV(109)\n JTUV(3) = JVS(3)*UV(3)+JVS(263)*UV(112)\n JTUV(4) = JVS(4)*UV(4)+JVS(21)*UV(18)\n JTUV(5) = JVS(5)*UV(5)+JVS(538)*UV(154)\n JTUV(6) = JVS(6)*UV(6)+JVS(11)*UV(10)\n JTUV(7) = JVS(7)*UV(7)+JVS(14)*UV(12)\n JTUV(8) = JVS(8)*UV(8)+JVS(9)*UV(9)\n JTUV(9) = JVS(10)*UV(9)+JVS(74)*UV(37)\n JTUV(10) = JVS(12)*UV(10)+JVS(80)*UV(40)\n JTUV(11) = JVS(13)*UV(11)+JVS(82)*UV(41)\n JTUV(12) = JVS(15)*UV(12)+JVS(84)*UV(42)\n JTUV(13) = JVS(16)*UV(13)+JVS(76)*UV(38)+JVS(444)*UV(145)+JVS(539)*UV(154)+JVS(592)*UV(156)+JVS(639)*UV(157)+JVS(689)&\n &*UV(160)\n JTUV(14) = JVS(17)*UV(14)+JVS(78)*UV(39)+JVS(445)*UV(145)+JVS(540)*UV(154)+JVS(593)*UV(156)+JVS(640)*UV(157)+JVS(690)&\n &*UV(160)\n JTUV(15) = JVS(18)*UV(15)+JVS(88)*UV(44)\n JTUV(16) = JVS(19)*UV(16)+JVS(90)*UV(45)\n JTUV(17) = JVS(20)*UV(17)+JVS(92)*UV(46)\n JTUV(18) = JVS(22)*UV(18)+JVS(94)*UV(47)\n JTUV(19) = JVS(23)*UV(19)\n JTUV(20) = JVS(32)*UV(20)\n JTUV(21) = JVS(34)*UV(21)\n JTUV(22) = JVS(35)*UV(21)+JVS(39)*UV(22)\n JTUV(23) = JVS(43)*UV(23)\n JTUV(24) = JVS(45)*UV(24)\n JTUV(25) = JVS(47)*UV(25)\n JTUV(26) = JVS(49)*UV(26)\n JTUV(27) = JVS(52)*UV(27)\n JTUV(28) = JVS(54)*UV(28)\n JTUV(29) = JVS(56)*UV(29)\n JTUV(30) = JVS(60)*UV(30)\n JTUV(31) = JVS(62)*UV(31)\n JTUV(32) = JVS(64)*UV(32)\n JTUV(33) = JVS(66)*UV(33)\n JTUV(34) = JVS(68)*UV(34)\n JTUV(35) = JVS(70)*UV(35)\n JTUV(36) = JVS(72)*UV(36)\n JTUV(37) = JVS(75)*UV(37)\n JTUV(38) = JVS(77)*UV(38)\n JTUV(39) = JVS(79)*UV(39)\n JTUV(40) = JVS(81)*UV(40)\n JTUV(41) = JVS(83)*UV(41)\n JTUV(42) = JVS(85)*UV(42)\n JTUV(43) = JVS(86)*UV(43)\n JTUV(44) = JVS(89)*UV(44)\n JTUV(45) = JVS(91)*UV(45)\n JTUV(46) = JVS(93)*UV(46)\n JTUV(47) = JVS(95)*UV(47)\n JTUV(48) = JVS(96)*UV(48)\n JTUV(49) = JVS(98)*UV(49)\n JTUV(50) = JVS(101)*UV(50)\n JTUV(51) = JVS(104)*UV(51)\n JTUV(52) = JVS(106)*UV(52)\n JTUV(53) = JVS(107)*UV(52)+JVS(109)*UV(53)\n JTUV(54) = JVS(113)*UV(54)\n JTUV(55) = JVS(115)*UV(55)\n JTUV(56) = JVS(116)*UV(55)+JVS(117)*UV(56)\n JTUV(57) = JVS(121)*UV(57)\n JTUV(58) = JVS(123)*UV(58)\n JTUV(59) = JVS(125)*UV(59)\n JTUV(60) = JVS(126)*UV(59)+JVS(127)*UV(60)\n JTUV(61) = JVS(130)*UV(61)\n JTUV(62) = JVS(131)*UV(61)+JVS(132)*UV(62)\n JTUV(63) = JVS(136)*UV(63)\n JTUV(64) = JVS(139)*UV(64)\n JTUV(65) = JVS(143)*UV(65)\n JTUV(66) = JVS(146)*UV(66)\n JTUV(67) = JVS(149)*UV(67)\n JTUV(68) = JVS(153)*UV(68)\n JTUV(69) = JVS(156)*UV(69)\n JTUV(70) = JVS(158)*UV(70)\n JTUV(71) = JVS(161)*UV(71)\n JTUV(72) = JVS(165)*UV(72)\n JTUV(73) = JVS(167)*UV(73)\n JTUV(74) = JVS(169)*UV(74)+JVS(337)*UV(126)\n JTUV(75) = JVS(171)*UV(75)+JVS(173)*UV(76)\n JTUV(76) = JVS(122)*UV(57)+JVS(128)*UV(60)+JVS(133)*UV(62)+JVS(172)*UV(75)+JVS(174)*UV(76)+JVS(541)*UV(154)\n JTUV(77) = JVS(176)*UV(77)+JVS(178)*UV(78)\n JTUV(78) = JVS(124)*UV(58)+JVS(129)*UV(60)+JVS(134)*UV(62)+JVS(177)*UV(77)+JVS(179)*UV(78)+JVS(542)*UV(154)\n JTUV(79) = JVS(181)*UV(79)+JVS(237)*UV(105)\n JTUV(80) = JVS(183)*UV(80)+JVS(382)*UV(135)\n JTUV(81) = JVS(185)*UV(81)+JVS(437)*UV(144)\n JTUV(82) = JVS(187)*UV(82)+JVS(564)*UV(155)\n JTUV(83) = JVS(189)*UV(83)+JVS(377)*UV(134)\n JTUV(84) = JVS(191)*UV(84)+JVS(294)*UV(119)\n JTUV(85) = JVS(193)*UV(85)+JVS(452)*UV(146)\n JTUV(86) = JVS(195)*UV(86)+JVS(244)*UV(107)\n JTUV(87) = JVS(197)*UV(87)+JVS(325)*UV(125)\n JTUV(88) = JVS(199)*UV(88)+JVS(248)*UV(108)\n JTUV(89) = JVS(201)*UV(89)+JVS(663)*UV(158)\n JTUV(90) = JVS(203)*UV(90)+JVS(422)*UV(142)\n JTUV(91) = JVS(205)*UV(91)+JVS(305)*UV(121)\n JTUV(92) = JVS(207)*UV(92)+JVS(310)*UV(122)\n JTUV(93) = JVS(209)*UV(93)+JVS(259)*UV(111)\n JTUV(94) = JVS(211)*UV(94)+JVS(240)*UV(106)\n JTUV(95) = JVS(213)*UV(95)+JVS(267)*UV(113)\n JTUV(96) = JVS(215)*UV(96)+JVS(674)*UV(159)\n JTUV(97) = JVS(217)*UV(97)+JVS(487)*UV(150)\n JTUV(98) = JVS(219)*UV(98)+JVS(342)*UV(127)\n JTUV(99) = JVS(221)*UV(99)+JVS(302)*UV(120)\n JTUV(100) = JVS(223)*UV(100)+JVS(446)*UV(145)\n JTUV(101) = JVS(225)*UV(101)+JVS(277)*UV(116)\n JTUV(102) = JVS(108)*UV(52)+JVS(118)*UV(56)+JVS(227)*UV(102)+JVS(278)*UV(116)\n JTUV(103) = JVS(114)*UV(54)+JVS(119)*UV(56)+JVS(229)*UV(103)+JVS(279)*UV(116)\n JTUV(104) = JVS(24)*UV(19)+JVS(232)*UV(104)+JVS(429)*UV(143)\n JTUV(105) = JVS(157)*UV(69)+JVS(182)*UV(79)+JVS(238)*UV(105)+JVS(241)*UV(106)+JVS(405)*UV(139)+JVS(565)*UV(155)&\n &+JVS(703)*UV(161)\n JTUV(106) = JVS(63)*UV(31)+JVS(212)*UV(94)+JVS(242)*UV(106)+JVS(394)*UV(137)+JVS(566)*UV(155)+JVS(704)*UV(161)\n JTUV(107) = JVS(33)*UV(20)+JVS(196)*UV(86)+JVS(245)*UV(107)+JVS(460)*UV(147)+JVS(594)*UV(156)\n JTUV(108) = JVS(44)*UV(23)+JVS(200)*UV(88)+JVS(249)*UV(108)+JVS(253)*UV(109)+JVS(514)*UV(153)\n JTUV(109) = JVS(71)*UV(35)+JVS(250)*UV(108)+JVS(254)*UV(109)+JVS(515)*UV(153)\n JTUV(110) = JVS(57)*UV(29)+JVS(256)*UV(110)+JVS(318)*UV(124)+JVS(595)*UV(156)\n JTUV(111) = JVS(61)*UV(30)+JVS(210)*UV(93)+JVS(260)*UV(111)+JVS(264)*UV(112)+JVS(596)*UV(156)\n JTUV(112) = JVS(73)*UV(36)+JVS(261)*UV(111)+JVS(265)*UV(112)+JVS(597)*UV(156)\n JTUV(113) = JVS(65)*UV(32)+JVS(214)*UV(95)+JVS(268)*UV(113)+JVS(372)*UV(133)+JVS(414)*UV(141)+JVS(567)*UV(155)&\n &+JVS(705)*UV(161)\n JTUV(114) = JVS(36)*UV(21)+JVS(270)*UV(114)+JVS(273)*UV(115)+JVS(598)*UV(156)\n JTUV(115) = JVS(37)*UV(21)+JVS(271)*UV(114)+JVS(274)*UV(115)+JVS(326)*UV(125)+JVS(599)*UV(156)\n JTUV(116) = JVS(105)*UV(51)+JVS(110)*UV(53)+JVS(120)*UV(56)+JVS(226)*UV(101)+JVS(228)*UV(102)+JVS(230)*UV(103)&\n &+JVS(280)*UV(116)+JVS(461)*UV(147)+JVS(543)*UV(154)\n JTUV(117) = JVS(162)*UV(71)+JVS(283)*UV(117)+JVS(295)*UV(119)\n JTUV(118) = JVS(163)*UV(71)+JVS(284)*UV(117)+JVS(288)*UV(118)+JVS(296)*UV(119)\n JTUV(119) = JVS(164)*UV(71)+JVS(192)*UV(84)+JVS(285)*UV(117)+JVS(289)*UV(118)+JVS(297)*UV(119)\n JTUV(120) = JVS(168)*UV(73)+JVS(222)*UV(99)+JVS(233)*UV(104)+JVS(303)*UV(120)+JVS(306)*UV(121)+JVS(438)*UV(144)&\n &+JVS(568)*UV(155)+JVS(641)*UV(157)\n JTUV(121) = JVS(53)*UV(27)+JVS(206)*UV(91)+JVS(307)*UV(121)+JVS(544)*UV(154)+JVS(600)*UV(156)+JVS(642)*UV(157)\n JTUV(122) = JVS(55)*UV(28)+JVS(208)*UV(92)+JVS(311)*UV(122)+JVS(545)*UV(154)+JVS(601)*UV(156)+JVS(643)*UV(157)\n JTUV(123) = JVS(25)*UV(19)+JVS(314)*UV(123)+JVS(319)*UV(124)+JVS(706)*UV(161)\n JTUV(124) = JVS(58)*UV(29)+JVS(257)*UV(110)+JVS(320)*UV(124)+JVS(546)*UV(154)+JVS(602)*UV(156)\n JTUV(125) = JVS(38)*UV(21)+JVS(198)*UV(87)+JVS(275)*UV(115)+JVS(327)*UV(125)+JVS(603)*UV(156)\n JTUV(126) = JVS(99)*UV(49)+JVS(170)*UV(74)+JVS(338)*UV(126)+JVS(501)*UV(152)+JVS(604)*UV(156)+JVS(675)*UV(159)&\n &+JVS(707)*UV(161)\n JTUV(127) = JVS(166)*UV(72)+JVS(220)*UV(98)+JVS(234)*UV(104)+JVS(315)*UV(123)+JVS(343)*UV(127)+JVS(462)*UV(147)&\n &+JVS(547)*UV(154)+JVS(605)*UV(156)+JVS(644)*UV(157)\n JTUV(128) = JVS(26)*UV(19)+JVS(346)*UV(128)+JVS(548)*UV(154)+JVS(606)*UV(156)+JVS(645)*UV(157)\n JTUV(129) = JVS(140)*UV(64)+JVS(328)*UV(125)+JVS(351)*UV(129)+JVS(365)*UV(132)+JVS(607)*UV(156)+JVS(709)*UV(161)\n JTUV(130) = JVS(102)*UV(50)+JVS(356)*UV(130)+JVS(488)*UV(150)+JVS(502)*UV(152)+JVS(608)*UV(156)\n JTUV(131) = JVS(40)*UV(22)+JVS(141)*UV(64)+JVS(329)*UV(125)+JVS(361)*UV(131)+JVS(366)*UV(132)+JVS(516)*UV(153)&\n &+JVS(609)*UV(156)+JVS(710)*UV(161)\n JTUV(132) = JVS(41)*UV(22)+JVS(142)*UV(64)+JVS(330)*UV(125)+JVS(352)*UV(129)+JVS(362)*UV(131)+JVS(367)*UV(132)&\n &+JVS(610)*UV(156)+JVS(711)*UV(161)\n JTUV(133) = JVS(144)*UV(65)+JVS(331)*UV(125)+JVS(373)*UV(133)+JVS(378)*UV(134)+JVS(388)*UV(136)+JVS(569)*UV(155)&\n &+JVS(611)*UV(156)+JVS(712)*UV(161)\n JTUV(134) = JVS(145)*UV(65)+JVS(190)*UV(83)+JVS(332)*UV(125)+JVS(374)*UV(133)+JVS(379)*UV(134)+JVS(383)*UV(135)&\n &+JVS(570)*UV(155)+JVS(612)*UV(156)+JVS(713)*UV(161)\n JTUV(135) = JVS(147)*UV(66)+JVS(184)*UV(80)+JVS(384)*UV(135)+JVS(390)*UV(136)+JVS(395)*UV(137)+JVS(477)*UV(149)&\n &+JVS(613)*UV(156)+JVS(714)*UV(161)\n JTUV(136) = JVS(148)*UV(66)+JVS(385)*UV(135)+JVS(391)*UV(136)+JVS(415)*UV(141)+JVS(478)*UV(149)+JVS(614)*UV(156)&\n &+JVS(715)*UV(161)\n JTUV(137) = JVS(137)*UV(63)+JVS(353)*UV(129)+JVS(397)*UV(137)+JVS(416)*UV(141)+JVS(571)*UV(155)+JVS(615)*UV(156)&\n &+JVS(716)*UV(161)\n JTUV(138) = JVS(50)*UV(26)+JVS(333)*UV(125)+JVS(401)*UV(138)+JVS(423)*UV(142)+JVS(519)*UV(153)+JVS(572)*UV(155)&\n &+JVS(616)*UV(156)+JVS(717)*UV(161)\n JTUV(139) = JVS(159)*UV(70)+JVS(406)*UV(139)+JVS(410)*UV(140)+JVS(417)*UV(141)+JVS(573)*UV(155)+JVS(617)*UV(156)&\n &+JVS(718)*UV(161)\n JTUV(140) = JVS(160)*UV(70)+JVS(407)*UV(139)+JVS(411)*UV(140)+JVS(418)*UV(141)+JVS(574)*UV(155)+JVS(618)*UV(156)&\n &+JVS(719)*UV(161)\n JTUV(141) = JVS(138)*UV(63)+JVS(369)*UV(132)+JVS(398)*UV(137)+JVS(419)*UV(141)+JVS(575)*UV(155)+JVS(619)*UV(156)&\n &+JVS(720)*UV(161)\n JTUV(142) = JVS(51)*UV(26)+JVS(204)*UV(90)+JVS(334)*UV(125)+JVS(402)*UV(138)+JVS(424)*UV(142)+JVS(576)*UV(155)&\n &+JVS(620)*UV(156)+JVS(721)*UV(161)\n JTUV(143) = JVS(27)*UV(19)+JVS(316)*UV(123)+JVS(347)*UV(128)+JVS(432)*UV(143)+JVS(577)*UV(155)\n JTUV(144) = JVS(150)*UV(67)+JVS(186)*UV(81)+JVS(439)*UV(144)+JVS(470)*UV(148)+JVS(479)*UV(149)+JVS(522)*UV(153)&\n &+JVS(647)*UV(157)+JVS(691)*UV(160)\n JTUV(145) = JVS(28)*UV(19)+JVS(224)*UV(100)+JVS(447)*UV(145)+JVS(503)*UV(152)+JVS(550)*UV(154)+JVS(622)*UV(156)&\n &+JVS(648)*UV(157)+JVS(664)*UV(158)+JVS(676)*UV(159)\n JTUV(146) = JVS(46)*UV(24)+JVS(194)*UV(85)+JVS(453)*UV(146)+JVS(551)*UV(154)+JVS(578)*UV(155)+JVS(623)*UV(156)&\n &+JVS(649)*UV(157)+JVS(723)*UV(161)\n JTUV(147) = JVS(69)*UV(34)+JVS(111)*UV(53)+JVS(246)*UV(107)+JVS(281)*UV(116)+JVS(463)*UV(147)+JVS(523)*UV(153)&\n &+JVS(624)*UV(156)+JVS(677)*UV(159)+JVS(724)*UV(161)\n JTUV(148) = JVS(29)*UV(19)+JVS(151)*UV(67)+JVS(425)*UV(142)+JVS(440)*UV(144)+JVS(471)*UV(148)+JVS(480)*UV(149)&\n &+JVS(524)*UV(153)+JVS(579)*UV(155)+JVS(650)*UV(157)+JVS(692)*UV(160)+JVS(725)*UV(161)\n JTUV(149) = JVS(152)*UV(67)+JVS(426)*UV(142)+JVS(441)*UV(144)+JVS(481)*UV(149)+JVS(580)*UV(155)+JVS(726)*UV(161)\n JTUV(150) = JVS(103)*UV(50)+JVS(218)*UV(97)+JVS(357)*UV(130)+JVS(464)*UV(147)+JVS(489)*UV(150)+JVS(553)*UV(154)&\n &+JVS(581)*UV(155)+JVS(627)*UV(156)+JVS(652)*UV(157)+JVS(678)*UV(159)\n JTUV(151) = JVS(154)*UV(68)+JVS(358)*UV(130)+JVS(454)*UV(146)+JVS(495)*UV(151)+JVS(527)*UV(153)+JVS(582)*UV(155)&\n &+JVS(628)*UV(156)+JVS(665)*UV(158)+JVS(679)*UV(159)+JVS(728)*UV(161)\n JTUV(152) = JVS(100)*UV(49)+JVS(339)*UV(126)+JVS(465)*UV(147)+JVS(506)*UV(152)+JVS(528)*UV(153)+JVS(629)*UV(156)&\n &+JVS(666)*UV(158)+JVS(680)*UV(159)+JVS(729)*UV(161)\n JTUV(153) = JVS(251)*UV(108)+JVS(255)*UV(109)+JVS(286)*UV(117)+JVS(290)*UV(118)+JVS(473)*UV(148)+JVS(482)*UV(149)&\n &+JVS(529)*UV(153)+JVS(630)*UV(156)+JVS(694)*UV(160)\n JTUV(154) = JVS(59)*UV(29)+JVS(112)*UV(53)+JVS(135)*UV(62)+JVS(175)*UV(76)+JVS(180)*UV(78)+JVS(231)*UV(103)+JVS(282)&\n &*UV(116)+JVS(317)*UV(123)+JVS(323)*UV(124)+JVS(344)*UV(127)+JVS(466)*UV(147)+JVS(556)*UV(154)+JVS(631)&\n &*UV(156)\n JTUV(155) = JVS(155)*UV(68)+JVS(188)*UV(82)+JVS(348)*UV(128)+JVS(434)*UV(143)+JVS(455)*UV(146)+JVS(491)*UV(150)&\n &+JVS(496)*UV(151)+JVS(531)*UV(153)+JVS(585)*UV(155)+JVS(632)*UV(156)+JVS(682)*UV(159)+JVS(732)*UV(161)\n JTUV(156) = JVS(87)*UV(43)+JVS(247)*UV(107)+JVS(258)*UV(110)+JVS(262)*UV(111)+JVS(266)*UV(112)+JVS(272)*UV(114)&\n &+JVS(276)*UV(115)+JVS(308)*UV(121)+JVS(312)*UV(122)+JVS(324)*UV(124)+JVS(335)*UV(125)+JVS(340)*UV(126)&\n &+JVS(349)*UV(128)+JVS(354)*UV(129)+JVS(359)*UV(130)+JVS(363)*UV(131)+JVS(370)*UV(132)+JVS(375)*UV(133)&\n &+JVS(380)*UV(134)+JVS(386)*UV(135)+JVS(392)*UV(136)+JVS(399)*UV(137)+JVS(403)*UV(138)+JVS(408)*UV(139)&\n &+JVS(412)*UV(140)+JVS(420)*UV(141)+JVS(427)*UV(142)+JVS(448)*UV(145)+JVS(456)*UV(146)+JVS(467)*UV(147)&\n &+JVS(492)*UV(150)+JVS(497)*UV(151)+JVS(508)*UV(152)+JVS(532)*UV(153)+JVS(558)*UV(154)+JVS(586)*UV(155)&\n &+JVS(633)*UV(156)+JVS(657)*UV(157)+JVS(697)*UV(160)\n JTUV(157) = JVS(30)*UV(19)+JVS(235)*UV(104)+JVS(291)*UV(118)+JVS(299)*UV(119)+JVS(304)*UV(120)+JVS(309)*UV(121)&\n &+JVS(313)*UV(122)+JVS(345)*UV(127)+JVS(350)*UV(128)+JVS(442)*UV(144)+JVS(449)*UV(145)+JVS(457)*UV(146)&\n &+JVS(468)*UV(147)+JVS(474)*UV(148)+JVS(493)*UV(150)+JVS(509)*UV(152)+JVS(559)*UV(154)+JVS(634)*UV(156)&\n &+JVS(658)*UV(157)+JVS(669)*UV(158)+JVS(684)*UV(159)+JVS(698)*UV(160)+JVS(734)*UV(161)\n JTUV(158) = JVS(48)*UV(25)+JVS(202)*UV(89)+JVS(450)*UV(145)+JVS(469)*UV(147)+JVS(498)*UV(151)+JVS(510)*UV(152)&\n &+JVS(534)*UV(153)+JVS(560)*UV(154)+JVS(635)*UV(156)+JVS(659)*UV(157)+JVS(670)*UV(158)+JVS(699)*UV(160)&\n &+JVS(735)*UV(161)\n JTUV(159) = JVS(97)*UV(48)+JVS(216)*UV(96)+JVS(360)*UV(130)+JVS(451)*UV(145)+JVS(494)*UV(150)+JVS(499)*UV(151)&\n &+JVS(511)*UV(152)+JVS(561)*UV(154)+JVS(589)*UV(155)+JVS(636)*UV(156)+JVS(660)*UV(157)+JVS(686)*UV(159)&\n &+JVS(700)*UV(160)\n JTUV(160) = JVS(31)*UV(19)+JVS(292)*UV(118)+JVS(300)*UV(119)+JVS(443)*UV(144)+JVS(475)*UV(148)+JVS(512)*UV(152)&\n &+JVS(536)*UV(153)+JVS(562)*UV(154)+JVS(637)*UV(156)+JVS(661)*UV(157)+JVS(672)*UV(158)+JVS(687)*UV(159)&\n &+JVS(701)*UV(160)\n JTUV(161) = JVS(42)*UV(22)+JVS(67)*UV(33)+JVS(236)*UV(104)+JVS(239)*UV(105)+JVS(243)*UV(106)+JVS(269)*UV(113)+JVS(287)&\n &*UV(117)+JVS(293)*UV(118)+JVS(336)*UV(125)+JVS(341)*UV(126)+JVS(355)*UV(129)+JVS(364)*UV(131)+JVS(371)&\n &*UV(132)+JVS(376)*UV(133)+JVS(381)*UV(134)+JVS(387)*UV(135)+JVS(393)*UV(136)+JVS(400)*UV(137)+JVS(404)&\n &*UV(138)+JVS(409)*UV(139)+JVS(413)*UV(140)+JVS(421)*UV(141)+JVS(428)*UV(142)+JVS(458)*UV(146)+JVS(476)&\n &*UV(148)+JVS(486)*UV(149)+JVS(500)*UV(151)+JVS(513)*UV(152)+JVS(537)*UV(153)+JVS(591)*UV(155)+JVS(638)&\n &*UV(156)+JVS(662)*UV(157)+JVS(688)*UV(159)+JVS(738)*UV(161)\n \nEND SUBROUTINE JacTR_SP_Vec\n\n! End of JacTR_SP_Vec function\n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\n\n\nEND MODULE aqchem_Jacobian\n\n" }, { "path": "CCTM/src/cloud/acm_ae7_kmt2/aqchem_JacobianSP.F90", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n \n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n! \n! Sparse Jacobian Data Structures File\n! \n! Generated by KPP-2.2.3 symbolic chemistry Kinetics PreProcessor\n! (http://www.cs.vt.edu/~asandu/Software/KPP)\n! KPP is distributed under GPL, the general public licence\n! (http://www.gnu.org/copyleft/gpl.html)\n! (C) 1995-1997, V. Damian & A. Sandu, CGRER, Univ. Iowa\n! (C) 1997-2005, A. Sandu, Michigan Tech, Virginia Tech\n! With important contributions from:\n! M. Damian, Villanova University, USA\n! R. Sander, Max-Planck Institute for Chemistry, Mainz, Germany\n! \n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\n\n\nMODULE aqchem_JacobianSP\n\n PUBLIC\n SAVE\n\n\n! Sparse Jacobian Data\n\n\n INTEGER, PARAMETER, DIMENSION(360) :: LU_IROW_0 = (/ &\n 1, 2, 3, 4, 5, 6, 7, 8, 9, 9, 10, 10, &\n 11, 12, 12, 13, 14, 15, 16, 17, 18, 18, 19, 19, &\n 19, 19, 19, 19, 19, 19, 19, 20, 20, 21, 21, 21, &\n 21, 21, 22, 22, 22, 22, 23, 23, 24, 24, 25, 25, &\n 26, 26, 26, 27, 27, 28, 28, 29, 29, 29, 29, 30, &\n 30, 31, 31, 32, 32, 33, 33, 34, 34, 35, 35, 36, &\n 36, 37, 37, 38, 38, 39, 39, 40, 40, 41, 41, 42, &\n 42, 43, 43, 44, 44, 45, 45, 46, 46, 47, 47, 48, &\n 48, 49, 49, 49, 50, 50, 50, 51, 51, 52, 52, 52, &\n 53, 53, 53, 53, 54, 54, 55, 55, 56, 56, 56, 56, &\n 57, 57, 58, 58, 59, 59, 60, 60, 60, 61, 61, 62, &\n 62, 62, 62, 63, 63, 63, 64, 64, 64, 64, 65, 65, &\n 65, 66, 66, 66, 67, 67, 67, 67, 68, 68, 68, 69, &\n 69, 70, 70, 70, 71, 71, 71, 71, 72, 72, 73, 73, &\n 74, 74, 75, 75, 76, 76, 76, 77, 77, 78, 78, 78, &\n 79, 79, 80, 80, 81, 81, 82, 82, 83, 83, 84, 84, &\n 85, 85, 86, 86, 87, 87, 88, 88, 89, 89, 90, 90, &\n 91, 91, 92, 92, 93, 93, 94, 94, 95, 95, 96, 96, &\n 97, 97, 98, 98, 99, 99,100,100,101,101,102,102, &\n 103,103,103,104,104,104,104,104,105,105,105,106, &\n 106,106,106,107,107,107,107,108,108,108,108,109, &\n 109,109,109,110,110,110,111,111,111,111,112,112, &\n 112,112,113,113,113,114,114,114,115,115,115,115, &\n 116,116,116,116,116,116,117,117,117,117,117,118, &\n 118,118,118,118,118,119,119,119,119,119,119,119, &\n 119,120,120,120,121,121,121,121,121,122,122,122, &\n 122,123,123,123,123,124,124,124,124,124,124,124, &\n 125,125,125,125,125,125,125,125,125,125,125,125, &\n 126,126,126,126,126,127,127,127,127,128,128,128, &\n 128,128,129,129,129,129,129,130,130,130,130,130 /)\n INTEGER, PARAMETER, DIMENSION(360) :: LU_IROW_1 = (/ &\n 131,131,131,131,132,132,132,132,132,132,132,133, &\n 133,133,133,133,134,134,134,134,134,135,135,135, &\n 135,135,135,136,136,136,136,136,136,137,137,137, &\n 137,137,137,137,138,138,138,138,139,139,139,139, &\n 139,140,140,140,140,141,141,141,141,141,141,141, &\n 141,142,142,142,142,142,142,142,143,143,143,143, &\n 143,143,143,143,144,144,144,144,144,144,144,145, &\n 145,145,145,145,145,145,145,146,146,146,146,146, &\n 146,146,147,147,147,147,147,147,147,147,147,147, &\n 147,148,148,148,148,148,148,148,149,149,149,149, &\n 149,149,149,149,149,149,150,150,150,150,150,150, &\n 150,150,151,151,151,151,151,151,152,152,152,152, &\n 152,152,152,152,152,152,152,152,152,153,153,153, &\n 153,153,153,153,153,153,153,153,153,153,153,153, &\n 153,153,153,153,153,153,153,153,153,154,154,154, &\n 154,154,154,154,154,154,154,154,154,154,154,154, &\n 154,154,154,154,154,154,154,154,154,154,154,155, &\n 155,155,155,155,155,155,155,155,155,155,155,155, &\n 155,155,155,155,155,155,155,155,155,155,155,155, &\n 155,155,155,156,156,156,156,156,156,156,156,156, &\n 156,156,156,156,156,156,156,156,156,156,156,156, &\n 156,156,156,156,156,156,156,156,156,156,156,156, &\n 156,156,156,156,156,156,156,156,156,156,156,156, &\n 156,156,157,157,157,157,157,157,157,157,157,157, &\n 157,157,157,157,157,157,157,157,157,157,157,157, &\n 157,157,158,158,158,158,158,158,158,158,158,158, &\n 158,159,159,159,159,159,159,159,159,159,159,159, &\n 159,159,159,159,160,160,160,160,160,160,160,160, &\n 160,160,160,160,160,160,161,161,161,161,161,161, &\n 161,161,161,161,161,161,161,161,161,161,161,161 /)\n INTEGER, PARAMETER, DIMENSION(18) :: LU_IROW_2 = (/ &\n 161,161,161,161,161,161,161,161,161,161,161,161, &\n 161,161,161,161,161,161 /)\n INTEGER, PARAMETER, DIMENSION(738) :: LU_IROW = (/&\n LU_IROW_0, LU_IROW_1, LU_IROW_2 /)\n\n INTEGER, PARAMETER, DIMENSION(360) :: LU_ICOL_0 = (/ &\n 1, 2, 3, 4, 5, 6, 7, 8, 8, 9, 6, 10, &\n 11, 7, 12, 13, 14, 15, 16, 17, 4, 18, 19,104, &\n 123,128,143,145,148,157,160, 20,107, 21, 22,114, &\n 115,125, 22,131,132,161, 23,108, 24,146, 25,158, &\n 26,138,142, 27,121, 28,122, 29,110,124,154, 30, &\n 111, 31,106, 32,113, 33,161, 34,147, 35,109, 36, &\n 112, 9, 37, 13, 38, 14, 39, 10, 40, 11, 41, 12, &\n 42, 43,156, 15, 44, 16, 45, 17, 46, 18, 47, 48, &\n 159, 49,126,152, 50,130,150, 51,116, 52, 53,102, &\n 53,116,147,154, 54,103, 55, 56, 56,102,103,116, &\n 57, 76, 58, 78, 59, 60, 60, 76, 78, 61, 62, 62, &\n 76, 78,154, 63,137,141, 64,129,131,132, 65,133, &\n 134, 66,135,136, 67,144,148,149, 68,151,155, 69, &\n 105, 70,139,140, 71,117,118,119, 72,127, 73,120, &\n 74,126, 75, 76, 75, 76,154, 77, 78, 77, 78,154, &\n 79,105, 80,135, 81,144, 82,155, 83,134, 84,119, &\n 85,146, 86,107, 87,125, 88,108, 89,158, 90,142, &\n 91,121, 92,122, 93,111, 94,106, 95,113, 96,159, &\n 97,150, 98,127, 99,120,100,145,101,116,102,116, &\n 103,116,154,104,120,127,157,161, 79,105,161, 94, &\n 105,106,161, 86,107,147,156, 88,108,109,153, 2, &\n 108,109,153,110,124,156, 93,111,112,156, 3,111, &\n 112,156, 95,113,161,114,115,156,114,115,125,156, &\n 101,102,103,116,147,154,117,118,119,153,161,118, &\n 119,153,157,160,161, 84,117,118,119,153,157,160, &\n 161, 99,120,157, 91,120,121,156,157, 92,122,156, &\n 157,123,127,143,154,110,123,124,127,143,154,156, &\n 87,115,125,129,131,132,133,134,138,142,156,161, &\n 74,126,152,156,161, 98,127,154,157,128,143,155, &\n 156,157,129,132,137,156,161,130,150,151,156,159 /)\n INTEGER, PARAMETER, DIMENSION(360) :: LU_ICOL_1 = (/ &\n 131,132,156,161,129,131,132,137,141,156,161,113, &\n 133,134,156,161, 83,133,134,156,161, 80,134,135, &\n 136,156,161,133,134,135,136,156,161,106,135,136, &\n 137,141,156,161,138,142,156,161,105,139,140,156, &\n 161,139,140,156,161,113,136,137,139,140,141,156, &\n 161, 90,138,142,148,149,156,161,104,120,127,143, &\n 154,155,157,161, 81,120,144,148,149,157,160, 13, &\n 14,100,145,156,157,158,159, 85,146,151,155,156, &\n 157,161, 1,107,116,127,147,150,152,154,156,157, &\n 158,144,148,149,153,157,160,161,135,136,144,148, &\n 149,153,156,157,160,161, 97,130,150,151,155,156, &\n 157,159,151,155,156,158,159,161,126,130,145,150, &\n 151,152,155,156,157,158,159,160,161,108,109,131, &\n 132,137,138,141,142,144,147,148,149,150,151,152, &\n 153,154,155,156,157,158,159,160,161, 5, 13, 14, &\n 76, 78,116,121,122,124,127,128,143,145,146,147, &\n 150,151,152,154,155,156,157,158,159,160,161, 82, &\n 105,106,113,120,133,134,137,138,139,140,141,142, &\n 143,146,148,149,150,151,153,154,155,156,157,158, &\n 159,160,161, 13, 14,107,110,111,112,114,115,121, &\n 122,124,125,126,127,128,129,130,131,132,133,134, &\n 135,136,137,138,139,140,141,142,143,145,146,147, &\n 148,149,150,151,152,153,154,155,156,157,158,159, &\n 160,161, 13, 14,120,121,122,127,128,143,144,145, &\n 146,148,149,150,151,153,154,155,156,157,158,159, &\n 160,161, 89,145,151,152,155,156,157,158,159,160, &\n 161, 96,126,145,147,150,151,152,154,155,156,157, &\n 158,159,160,161, 13, 14,144,148,149,153,154,155, &\n 156,157,158,159,160,161,105,106,113,123,126,127, &\n 129,131,132,133,134,135,136,137,138,139,140,141 /)\n INTEGER, PARAMETER, DIMENSION(18) :: LU_ICOL_2 = (/ &\n 142,143,146,147,148,149,150,151,152,153,154,155, &\n 156,157,158,159,160,161 /)\n INTEGER, PARAMETER, DIMENSION(738) :: LU_ICOL = (/&\n LU_ICOL_0, LU_ICOL_1, LU_ICOL_2 /)\n\n INTEGER, PARAMETER, DIMENSION(162) :: LU_CROW = (/ &\n 1, 2, 3, 4, 5, 6, 7, 8, 9, 11, 13, 14, &\n 16, 17, 18, 19, 20, 21, 23, 32, 34, 39, 43, 45, &\n 47, 49, 52, 54, 56, 60, 62, 64, 66, 68, 70, 72, &\n 74, 76, 78, 80, 82, 84, 86, 88, 90, 92, 94, 96, &\n 98,101,104,106,109,113,115,117,121,123,125,127, &\n 130,132,136,139,143,146,149,153,156,158,161,165, &\n 167,169,171,173,176,178,181,183,185,187,189,191, &\n 193,195,197,199,201,203,205,207,209,211,213,215, &\n 217,219,221,223,225,227,229,232,237,240,244,248, &\n 252,256,259,263,267,270,273,277,283,288,294,302, &\n 305,310,314,318,325,337,342,346,351,356,361,365, &\n 372,377,382,388,394,401,405,410,414,422,429,437, &\n 444,452,459,470,477,487,495,501,514,538,564,592, &\n 639,663,674,689,703,739 /)\n\n INTEGER, PARAMETER, DIMENSION(162) :: LU_DIAG = (/ &\n 1, 2, 3, 4, 5, 6, 7, 8, 10, 12, 13, 15, &\n 16, 17, 18, 19, 20, 22, 23, 32, 34, 39, 43, 45, &\n 47, 49, 52, 54, 56, 60, 62, 64, 66, 68, 70, 72, &\n 75, 77, 79, 81, 83, 85, 86, 89, 91, 93, 95, 96, &\n 98,101,104,106,109,113,115,117,121,123,125,127, &\n 130,132,136,139,143,146,149,153,156,158,161,165, &\n 167,169,171,174,176,179,181,183,185,187,189,191, &\n 193,195,197,199,201,203,205,207,209,211,213,215, &\n 217,219,221,223,225,227,229,232,238,242,245,249, &\n 254,256,260,265,268,270,274,280,283,288,297,303, &\n 307,311,314,320,327,338,343,346,351,356,361,367, &\n 373,379,384,391,397,401,406,411,419,424,432,439, &\n 447,453,463,471,481,489,495,506,529,556,585,633, &\n 658,670,686,701,738,739 /)\n\n\nEND MODULE aqchem_JacobianSP\n\n" }, { "path": "CCTM/src/cloud/acm_ae7_kmt2/aqchem_LinearAlgebra.F90", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n \n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n! \n! Linear Algebra Data and Routines File\n! \n! Generated by KPP-2.2.3 symbolic chemistry Kinetics PreProcessor\n! (http://www.cs.vt.edu/~asandu/Software/KPP)\n! KPP is distributed under GPL, the general public licence\n! (http://www.gnu.org/copyleft/gpl.html)\n! (C) 1995-1997, V. Damian & A. Sandu, CGRER, Univ. Iowa\n! (C) 1997-2005, A. Sandu, Michigan Tech, Virginia Tech\n! With important contributions from:\n! M. Damian, Villanova University, USA\n! R. Sander, Max-Planck Institute for Chemistry, Mainz, Germany\n! \n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\n\n\nMODULE aqchem_LinearAlgebra\n\n USE aqchem_Parameters\n USE aqchem_JacobianSP\n\n IMPLICIT NONE\n\nCONTAINS\n\n\n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n! \n! SPARSE_UTIL - SPARSE utility functions\n! Arguments :\n! \n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\n\n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\nSUBROUTINE KppDecomp( JVS, IER )\n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n! Sparse LU factorization\n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\n USE aqchem_Parameters\n USE aqchem_JacobianSP\n\n INTEGER :: IER\n REAL(kind=dp) :: JVS(LU_NONZERO), W(NVAR), a\n INTEGER :: k, kk, j, jj\n\n a = 0. ! mz_rs_20050606\n IER = 0\n DO k=1,NVAR\n ! mz_rs_20050606: don't check if real value == 0\n ! IF ( JVS( LU_DIAG(k) ) .EQ. 0. ) THEN\n IF ( ABS(JVS(LU_DIAG(k))) < TINY(a) ) THEN\n IER = k\n RETURN\n END IF\n DO kk = LU_CROW(k), LU_CROW(k+1)-1\n W( LU_ICOL(kk) ) = JVS(kk)\n END DO\n DO kk = LU_CROW(k), LU_DIAG(k)-1\n j = LU_ICOL(kk)\n a = -W(j) / JVS( LU_DIAG(j) )\n W(j) = -a\n DO jj = LU_DIAG(j)+1, LU_CROW(j+1)-1\n W( LU_ICOL(jj) ) = W( LU_ICOL(jj) ) + a*JVS(jj)\n END DO\n END DO\n DO kk = LU_CROW(k), LU_CROW(k+1)-1\n JVS(kk) = W( LU_ICOL(kk) )\n END DO\n END DO\n \nEND SUBROUTINE KppDecomp\n\n\n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\nSUBROUTINE KppDecompCmplx( JVS, IER )\n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n! Sparse LU factorization, complex\n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\n USE aqchem_Parameters\n USE aqchem_JacobianSP\n\n INTEGER :: IER\n DOUBLE COMPLEX :: JVS(LU_NONZERO), W(NVAR), a\n REAL(kind=dp) :: b = 0.0\n INTEGER :: k, kk, j, jj\n\n IER = 0\n DO k=1,NVAR\n IF ( ABS(JVS(LU_DIAG(k))) < TINY(b) ) THEN\n IER = k\n RETURN\n END IF\n DO kk = LU_CROW(k), LU_CROW(k+1)-1\n W( LU_ICOL(kk) ) = JVS(kk)\n END DO\n DO kk = LU_CROW(k), LU_DIAG(k)-1\n j = LU_ICOL(kk)\n a = -W(j) / JVS( LU_DIAG(j) )\n W(j) = -a\n DO jj = LU_DIAG(j)+1, LU_CROW(j+1)-1\n W( LU_ICOL(jj) ) = W( LU_ICOL(jj) ) + a*JVS(jj)\n END DO\n END DO\n DO kk = LU_CROW(k), LU_CROW(k+1)-1\n JVS(kk) = W( LU_ICOL(kk) )\n END DO\n END DO\n \nEND SUBROUTINE KppDecompCmplx\n\n\n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\nSUBROUTINE KppDecompCmplxR( JVSR, JVSI, IER )\n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n! Sparse LU factorization, complex\n! (Real and Imaginary parts are used instead of complex data type) \n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\n USE aqchem_Parameters\n USE aqchem_JacobianSP\n\n INTEGER :: IER\n REAL(kind=dp) :: JVSR(LU_NONZERO), JVSI(LU_NONZERO) \n REAL(kind=dp) :: WR(NVAR), WI(NVAR), ar, ai, den\n INTEGER :: k, kk, j, jj\n\n IER = 0\n ar = 0.0\n DO k=1,NVAR\n IF ( ( ABS(JVSR(LU_DIAG(k))) < TINY(ar) ) .AND. &\n ( ABS(JVSI(LU_DIAG(k))) < TINY(ar) ) ) THEN\n IER = k\n RETURN\n END IF\n DO kk = LU_CROW(k), LU_CROW(k+1)-1\n WR( LU_ICOL(kk) ) = JVSR(kk)\n WI( LU_ICOL(kk) ) = JVSI(kk)\n END DO\n DO kk = LU_CROW(k), LU_DIAG(k)-1\n j = LU_ICOL(kk)\n den = JVSR(LU_DIAG(j))**2 + JVSI(LU_DIAG(j))**2\n ar = -(WR(j)*JVSR(LU_DIAG(j)) + WI(j)*JVSI(LU_DIAG(j)))/den\n ai = -(WI(j)*JVSR(LU_DIAG(j)) - WR(j)*JVSI(LU_DIAG(j)))/den\n WR(j) = -ar\n WI(j) = -ai\n DO jj = LU_DIAG(j)+1, LU_CROW(j+1)-1\n WR( LU_ICOL(jj) ) = WR( LU_ICOL(jj) ) + ar*JVSR(jj) - ai*JVSI(jj)\n WI( LU_ICOL(jj) ) = WI( LU_ICOL(jj) ) + ar*JVSI(jj) + ai*JVSR(jj)\n END DO\n END DO\n DO kk = LU_CROW(k), LU_CROW(k+1)-1\n JVSR(kk) = WR( LU_ICOL(kk) )\n JVSI(kk) = WI( LU_ICOL(kk) )\n END DO\n END DO\n\nEND SUBROUTINE KppDecompCmplxR\n\n\n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\nSUBROUTINE KppSolveIndirect( JVS, X )\n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n! Sparse solve subroutine using indirect addressing\n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\n USE aqchem_Parameters\n USE aqchem_JacobianSP\n\n INTEGER :: i, j\n REAL(kind=dp) :: JVS(LU_NONZERO), X(NVAR), sum\n\n DO i=1,NVAR\n DO j = LU_CROW(i), LU_DIAG(i)-1 \n X(i) = X(i) - JVS(j)*X(LU_ICOL(j));\n END DO \n END DO\n\n DO i=NVAR,1,-1\n sum = X(i);\n DO j = LU_DIAG(i)+1, LU_CROW(i+1)-1\n sum = sum - JVS(j)*X(LU_ICOL(j));\n END DO\n X(i) = sum/JVS(LU_DIAG(i));\n END DO\n \nEND SUBROUTINE KppSolveIndirect\n\n\n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\nSUBROUTINE KppSolveTRIndirect( JVS, X )\n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n! Complex sparse solve transpose subroutine using indirect addressing\n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\n USE aqchem_Parameters\n USE aqchem_JacobianSP\n\n INTEGER :: i, j\n REAL(kind=dp) :: JVS(LU_NONZERO), X(NVAR)\n\n DO i=1,NVAR\n X(i) = X(i)/JVS(LU_DIAG(i))\n ! subtract all nonzero elements in row i of JVS from X\n DO j=LU_DIAG(i)+1,LU_CROW(i+1)-1\n X(LU_ICOL(j)) = X(LU_ICOL(j))-JVS(j)*X(i)\n END DO\n END DO\n\n DO i=NVAR, 1, -1\n ! subtract all nonzero elements in row i of JVS from X\n DO j=LU_CROW(i),LU_DIAG(i)-1\n X(LU_ICOL(j)) = X(LU_ICOL(j))-JVS(j)*X(i)\n END DO\n END DO\n \nEND SUBROUTINE KppSolveTRIndirect\n\n\n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\nSUBROUTINE KppSolveCmplx( JVS, X )\n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n! Complex sparse solve subroutine using indirect addressing\n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\n USE aqchem_Parameters\n USE aqchem_JacobianSP\n\n INTEGER :: i, j\n DOUBLE COMPLEX :: JVS(LU_NONZERO), X(NVAR), sum\n\n DO i=1,NVAR\n DO j = LU_CROW(i), LU_DIAG(i)-1 \n X(i) = X(i) - JVS(j)*X(LU_ICOL(j));\n END DO \n END DO\n\n DO i=NVAR,1,-1\n sum = X(i);\n DO j = LU_DIAG(i)+1, LU_CROW(i+1)-1\n sum = sum - JVS(j)*X(LU_ICOL(j));\n END DO\n X(i) = sum/JVS(LU_DIAG(i));\n END DO\n \nEND SUBROUTINE KppSolveCmplx\n\n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\nSUBROUTINE KppSolveCmplxR( JVSR, JVSI, XR, XI )\n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n! Complex sparse solve subroutine using indirect addressing\n! (Real and Imaginary parts are used instead of complex data type) \n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\n USE aqchem_Parameters\n USE aqchem_JacobianSP\n\n INTEGER :: i, j\n REAL(kind=dp) :: JVSR(LU_NONZERO), JVSI(LU_NONZERO), XR(NVAR), XI(NVAR), sumr, sumi, den\n\n DO i=1,NVAR\n DO j = LU_CROW(i), LU_DIAG(i)-1 \n XR(i) = XR(i) - (JVSR(j)*XR(LU_ICOL(j)) - JVSI(j)*XI(LU_ICOL(j)))\n XI(i) = XI(i) - (JVSR(j)*XI(LU_ICOL(j)) + JVSI(j)*XR(LU_ICOL(j)))\n END DO \n END DO\n\n DO i=NVAR,1,-1\n sumr = XR(i); sumi = XI(i)\n DO j = LU_DIAG(i)+1, LU_CROW(i+1)-1\n sumr = sumr - (JVSR(j)*XR(LU_ICOL(j)) - JVSI(j)*XI(LU_ICOL(j)))\n sumi = sumi - (JVSR(j)*XI(LU_ICOL(j)) + JVSI(j)*XR(LU_ICOL(j)))\n END DO\n den = JVSR(LU_DIAG(i))**2 + JVSI(LU_DIAG(i))**2\n XR(i) = (sumr*JVSR(LU_DIAG(i)) + sumi*JVSI(LU_DIAG(i)))/den\n XI(i) = (sumi*JVSR(LU_DIAG(i)) - sumr*JVSI(LU_DIAG(i)))/den\n END DO\n \nEND SUBROUTINE KppSolveCmplxR\n\n\n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\nSUBROUTINE KppSolveTRCmplx( JVS, X )\n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n! Complex sparse solve transpose subroutine using indirect addressing\n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\n USE aqchem_Parameters\n USE aqchem_JacobianSP\n\n INTEGER :: i, j\n DOUBLE COMPLEX :: JVS(LU_NONZERO), X(NVAR)\n\n DO i=1,NVAR\n X(i) = X(i)/JVS(LU_DIAG(i))\n ! subtract all nonzero elements in row i of JVS from X\n DO j=LU_DIAG(i)+1,LU_CROW(i+1)-1\n X(LU_ICOL(j)) = X(LU_ICOL(j))-JVS(j)*X(i)\n END DO\n END DO\n\n DO i=NVAR, 1, -1\n ! subtract all nonzero elements in row i of JVS from X\n DO j=LU_CROW(i),LU_DIAG(i)-1\n X(LU_ICOL(j)) = X(LU_ICOL(j))-JVS(j)*X(i)\n END DO\n END DO\n \nEND SUBROUTINE KppSolveTRCmplx\n\n\n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\nSUBROUTINE KppSolveTRCmplxR( JVSR, JVSI, XR, XI )\n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n! Complex sparse solve transpose subroutine using indirect addressing\n! (Real and Imaginary parts are used instead of complex data type) \n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\n USE aqchem_Parameters\n USE aqchem_JacobianSP\n\n INTEGER :: i, j\n REAL(kind=dp) :: JVSR(LU_NONZERO), JVSI(LU_NONZERO), XR(NVAR), XI(NVAR), den\n\n DO i=1,NVAR\n den = JVSR(LU_DIAG(i))**2 + JVSI(LU_DIAG(i))**2\n XR(i) = (XR(i)*JVSR(LU_DIAG(i)) + XI(i)*JVSI(LU_DIAG(i)))/den\n XI(i) = (XI(i)*JVSR(LU_DIAG(i)) - XR(i)*JVSI(LU_DIAG(i)))/den\n ! subtract all nonzero elements in row i of JVS from X\n DO j=LU_DIAG(i)+1,LU_CROW(i+1)-1\n XR(LU_ICOL(j)) = XR(LU_ICOL(j))-(JVSR(j)*XR(i) - JVSI(j)*XI(i))\n XI(LU_ICOL(j)) = XI(LU_ICOL(j))-(JVSI(j)*XR(i) + JVSR(j)*XI(i))\n END DO\n END DO\n\n DO i=NVAR, 1, -1\n ! subtract all nonzero elements in row i of JVS from X\n DO j=LU_CROW(i),LU_DIAG(i)-1\n XR(LU_ICOL(j)) = XR(LU_ICOL(j))-(JVSR(j)*XR(i) - JVSI(j)*XI(i))\n XI(LU_ICOL(j)) = XI(LU_ICOL(j))-(JVSI(j)*XR(i) + JVSR(j)*XI(i))\n END DO\n END DO\n \nEND SUBROUTINE KppSolveTRCmplxR\n\n\n!\n! Next few commented subroutines perform sparse big linear algebra\n!\n!! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n!SUBROUTINE KppDecompBig( JVS, IP, IER )\n!! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n!! Sparse LU factorization\n!! for the Runge Kutta (3n)x(3n) linear system\n!! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n!\n! USE aqchem_Parameters\n! USE aqchem_JacobianSP\n!\n! INTEGER :: IP3(3), IER, IP(3,NVAR)\n! REAL(kind=dp) :: JVS(3,3,LU_NONZERO), W(3,3,NVAR), a(3,3), E(3,3)\n! INTEGER :: k, kk, j, jj\n!\n! a = 0.0d0\n! IER = 0\n! DO k=1,NVAR\n! DO kk = LU_CROW(k), LU_CROW(k+1)-1\n! W( 1:3,1:3,LU_ICOL(kk) ) = JVS(1:3,1:3,kk)\n! END DO\n! DO kk = LU_CROW(k), LU_DIAG(k)-1\n! j = LU_ICOL(kk)\n! E(1:3,1:3) = JVS( 1:3,1:3,LU_DIAG(j) )\n! ! CALL DGETRF(3,3,E,3,IP3,IER) \n! CALL FAC3(E,IP3,IER)\n! IF ( IER /= 0 ) RETURN\n! ! a = W(j) / JVS( LU_DIAG(j) )\n! a(1:3,1:3) = W( 1:3,1:3,j )\n! ! CALL DGETRS ('N',3,3,E,3,IP3,a,3,IER) \n! CALL SOL3('N',E,IP3,a(1,1))\n! CALL SOL3('N',E,IP3,a(1,2))\n! CALL SOL3('N',E,IP3,a(1,3))\n! W(1:3,1:3,j) = a(1:3,1:3)\n! DO jj = LU_DIAG(j)+1, LU_CROW(j+1)-1\n! W( 1:3,1:3,LU_ICOL(jj) ) = W( 1:3,1:3,LU_ICOL(jj) ) &\n! - MATMUL( a(1:3,1:3) , JVS(1:3,1:3,jj) )\n! END DO\n! END DO\n! DO kk = LU_CROW(k), LU_CROW(k+1)-1\n! JVS(1:3,1:3,kk) = W( 1:3,1:3,LU_ICOL(kk) )\n! END DO\n! END DO\n!\n! DO k=1,NVAR\n! ! CALL WGEFA(JVS(1,1,LU_DIAG(k)),3,3,IP(1,k),IER)\n! ! CALL DGETRF(3,3,JVS(1,1,LU_DIAG(k)),3,IP(1,k),IER)\n! CALL FAC3(JVS(1,1,LU_DIAG(k)),IP(1,k),IER)\n! IF ( IER /= 0 ) RETURN\n! END DO \n! \n!END SUBROUTINE KppDecompBig\n!\n!\n!! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n!SUBROUTINE KppSolveBig( JVS, IP, X )\n!! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n!! Sparse solve subroutine using indirect addressing\n!! for the Runge Kutta (3n)x(3n) linear system\n!! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n!\n! USE aqchem_Parameters\n! USE aqchem_JacobianSP\n!\n! INTEGER :: i, j, k, m, IP3(3), IP(3,NVAR), IER\n! REAL(kind=dp) :: JVS(3,3,LU_NONZERO), X(3,NVAR), sum(3)\n!\n! DO i=1,NVAR\n! DO j = LU_CROW(i), LU_DIAG(i)-1 \n! !X(1:3,i) = X(1:3,i) - MATMUL(JVS(1:3,1:3,j),X(1:3,LU_ICOL(j)));\n! DO k=1,3\n! DO m=1,3\n! X(k,i) = X(k,i) - JVS(k,m,j)*X(m,LU_ICOL(j))\n! END DO\n! END DO\n! END DO \n! END DO\n!\n! DO i=NVAR,1,-1\n! sum(1:3) = X(1:3,i);\n! DO j = LU_DIAG(i)+1, LU_CROW(i+1)-1\n! !sum(1:3) = sum(1:3) - MATMUL(JVS(1:3,1:3,j),X(1:3,LU_ICOL(j)));\n! DO k=1,3\n! DO m=1,3\n! sum(k) = sum(k) - JVS(k,m,j)*X(m,LU_ICOL(j))\n! END DO\n! END DO\n! END DO\n! ! X(i) = sum/JVS(LU_DIAG(i));\n! ! CALL DGETRS ('N',3,1,JVS(1:3,1:3,LU_DIAG(i)),3,IP(1,i),sum,3,0) \n! ! CALL WGESL('N',JVS(1,1,LU_DIAG(i)),3,3,IP(1,i),sum)\n! CALL SOL3('N',JVS(1,1,LU_DIAG(i)),IP(1,i),sum)\n! X(1:3,i) = sum(1:3)\n! END DO\n! \n!END SUBROUTINE KppSolveBig\n!\n!\n!! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n!SUBROUTINE KppSolveBigTR( JVS, IP, X )\n!! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n!! Big sparse transpose solve using indirect addressing\n!! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n!\n! USE aqchem_Parameters\n! USE aqchem_JacobianSP\n!\n! INTEGER :: i, j, k, m, IP(3,NVAR)\n! REAL(kind=dp) :: JVS(3,3,LU_NONZERO), X(3,NVAR)\n!\n! DO i=1,NVAR\n! ! X(i) = X(i)/JVS(LU_DIAG(i))\n! CALL SOL3('T',JVS(1,1,LU_DIAG(i)),IP(1,i),X(1,i))\n! DO j=LU_DIAG(i)+1,LU_CROW(i+1)-1\n! !X(1:3,LU_ICOL(j)) = X(1:3,LU_ICOL(j)) &\n! ! - MATMUL( TRANSPOSE(JVS(1:3,1:3,j)), X(1:3,i) )\n! DO k=1,3\n! DO m=1,3\n! X(k,LU_ICOL(j)) = X(k,LU_ICOL(j)) - JVS(m,k,j)*X(m,i)\n! END DO\n! END DO\n! END DO\n! END DO\n!\n! DO i=NVAR, 1, -1\n! DO j=LU_CROW(i),LU_DIAG(i)-1\n! !X(1:3,LU_ICOL(j)) = X(1:3,LU_ICOL(j)) &\n! ! - MATMUL( TRANSPOSE(JVS(1:3,1:3,j)), X(1:3,i) )\n! DO k=1,3\n! DO m=1,3\n! X(k,LU_ICOL(j)) = X(k,LU_ICOL(j)) - JVS(m,k,j)*X(m,i)\n! END DO\n! END DO\n! END DO\n! END DO\n! \n!END SUBROUTINE KppSolveBigTR\n!\n!\n!\n!! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n!SUBROUTINE FAC3(A,IPVT,INFO)\n!! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n!! FAC3 FACTORS THE MATRIX A (3,3) BY\n!! GAUSS ELIMINATION WITH PARTIAL PIVOTING\n!! LINPACK - LIKE \n!!\n!! Remove comments to perform pivoting\n!! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n!!\n! REAL(kind=dp) :: A(3,3)\n! INTEGER :: IPVT(3),INFO\n!! INTEGER :: L\n!! REAL(kind=dp) :: t, dmax, da, TMP(3)\n! REAL(kind=dp), PARAMETER :: ZERO = 0.0, ONE = 1.0\n!\n! info = 0\n!! t = TINY(da)\n!! \n!! da = ABS(A(1,1)); L = 1\n!! IF ( ABS(A(2,1))>da ) THEN\n!! da = ABS(A(2,1)); L = 2\n!! IF ( ABS(A(3,1))>da ) THEN\n!! L = 3\n!! END IF \n!! END IF \n!! IPVT(1) = L\n!! IF (L /=1 ) THEN\n!! TMP(1:3) = A(L,1:3)\n!! A(L,1:3) = A(1,1:3)\n!! A(1,1:3) = TMP(1:3)\n!! END IF\n!! IF (ABS(A(1,1)) < t) THEN\n!! info = 1\n!! return\n!! END IF \n!!\n! A(2,1) = A(2,1)/A(1,1)\n! A(2,2) = A(2,2) - A(2,1)*A(1,2)\n! A(2,3) = A(2,3) - A(2,1)*A(1,3)\n! A(3,1) = A(3,1)/A(1,1)\n! A(3,2) = A(3,2) - A(3,1)*A(1,2)\n! A(3,3) = A(3,3) - A(3,1)*A(1,3)\n! \n!! IPVT(2) = 2\n!! IF (ABS(A(3,2))>ABS(A(2,2))) THEN\n!! IPVT(2) = 3\n!! TMP(2:3) = A(3,2:3)\n!! A(3,2:3) = A(2,2:3)\n!! A(2,2:3) = TMP(2:3)\n!! END IF\n!! IF (ABS(A(2,2)) < t) THEN\n!! info = 1\n!! return\n!! END IF \n!! \n! A(3,2) = A(3,2)/A(2,2)\n! A(3,3) = A(3,3) - A(3,2)*A(2,3)\n! IPVT(3) = 3\n! \n!END SUBROUTINE FAC3\n!\n!\n!! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n!SUBROUTINE SOL3(Trans,A,IPVT,b)\n!! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n!! SOL3 solves the system 3x3\n!! A * x = b or trans(a) * x = b\n!! using the factors computed by WGEFA.\n!!\n!! Trans = 'N' to solve A*x = b ,\n!! = 'T' to solve transpose(A)*x = b\n!! LINPACK - LIKE \n!!\n!! Remove comments to use pivoting\n!! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n!\n! CHARACTER :: Trans\n! REAL(kind=dp) :: a(3,3),b(3)\n! INTEGER :: IPVT(3)\n!! INTEGER :: L\n!! REAL(kind=dp) :: TMP\n! \n! SELECT CASE (Trans)\n!\n! CASE ('n','N') ! Solve A * x = b\n!\n!! Solve L*y = b\n!! L = IPVT(1)\n!! IF (L /= 1) THEN\n!! TMP = B(1); B(1) = B(L); B(L) = TMP\n!! END IF\n! b(2) = b(2)-A(2,1)*b(1)\n! b(3) = b(3)-A(3,1)*b(1)\n! \n!! L = IPVT(2)\n!! IF (L /= 2) THEN\n!! TMP = B(2); B(2) = B(L); B(L) = TMP\n!! END IF\n! b(3) = b(3)-A(3,2)*b(2)\n!\n!! Solve U*x = y\n! b(3) = b(3)/A(3,3)\n! b(2) = (b(2)-A(2,3)*b(3))/A(2,2)\n! b(1) = (b(1)-A(1,3)*b(3)-A(1,2)*b(2))/A(1,1)\n! \n! \n! CASE ('t','T') ! Solve transpose(A) * x = b\n!\n!! Solve transpose(U)*y = b\n! b(1) = b(1)/A(1,1)\n! b(2) = (b(2)-A(1,2)*b(1))/A(2,2)\n! b(3) = (b(3)-A(1,3)*b(1)-A(2,3)*b(2))/A(3,3)\n!\n!! Solve transpose(L)*x = y\n! b(2) = b(2)-A(3,2)*b(3)\n!! L = ipvt(2)\n!! IF (L /= 2) THEN\n!! TMP = B(2); B(2) = B(L); B(L) = TMP\n!! END IF\n! b(1) = b(1)-A(3,1)*b(3)-A(2,1)*b(2)\n!! L = ipvt(1)\n!! IF (L /= 1) THEN\n!! TMP = B(1); B(1) = B(L); B(L) = TMP\n!! END IF\n! \n! END SELECT\n!\n!END SUBROUTINE SOL3\n\n! End of SPARSE_UTIL function\n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\n\n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n! \n! KppSolve - sparse back substitution\n! Arguments :\n! JVS - sparse Jacobian of variables\n! X - Vector for variables\n! \n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\nSUBROUTINE KppSolve ( JVS, X )\n\n! JVS - sparse Jacobian of variables\n REAL(kind=dp) :: JVS(LU_NONZERO)\n! X - Vector for variables\n REAL(kind=dp) :: X(NVAR)\n\n X(9) = X(9)-JVS(9)*X(8)\n X(10) = X(10)-JVS(11)*X(6)\n X(12) = X(12)-JVS(14)*X(7)\n X(18) = X(18)-JVS(21)*X(4)\n X(37) = X(37)-JVS(74)*X(9)\n X(38) = X(38)-JVS(76)*X(13)\n X(39) = X(39)-JVS(78)*X(14)\n X(40) = X(40)-JVS(80)*X(10)\n X(41) = X(41)-JVS(82)*X(11)\n X(42) = X(42)-JVS(84)*X(12)\n X(44) = X(44)-JVS(88)*X(15)\n X(45) = X(45)-JVS(90)*X(16)\n X(46) = X(46)-JVS(92)*X(17)\n X(47) = X(47)-JVS(94)*X(18)\n X(76) = X(76)-JVS(173)*X(75)\n X(78) = X(78)-JVS(178)*X(77)\n X(105) = X(105)-JVS(237)*X(79)\n X(106) = X(106)-JVS(240)*X(94)-JVS(241)*X(105)\n X(107) = X(107)-JVS(244)*X(86)\n X(108) = X(108)-JVS(248)*X(88)\n X(109) = X(109)-JVS(252)*X(2)-JVS(253)*X(108)\n X(111) = X(111)-JVS(259)*X(93)\n X(112) = X(112)-JVS(263)*X(3)-JVS(264)*X(111)\n X(113) = X(113)-JVS(267)*X(95)\n X(115) = X(115)-JVS(273)*X(114)\n X(116) = X(116)-JVS(277)*X(101)-JVS(278)*X(102)-JVS(279)*X(103)\n X(119) = X(119)-JVS(294)*X(84)-JVS(295)*X(117)-JVS(296)*X(118)\n X(120) = X(120)-JVS(302)*X(99)\n X(121) = X(121)-JVS(305)*X(91)-JVS(306)*X(120)\n X(122) = X(122)-JVS(310)*X(92)\n X(124) = X(124)-JVS(318)*X(110)-JVS(319)*X(123)\n X(125) = X(125)-JVS(325)*X(87)-JVS(326)*X(115)\n X(126) = X(126)-JVS(337)*X(74)\n X(127) = X(127)-JVS(342)*X(98)\n X(132) = X(132)-JVS(365)*X(129)-JVS(366)*X(131)\n X(133) = X(133)-JVS(372)*X(113)\n X(134) = X(134)-JVS(377)*X(83)-JVS(378)*X(133)\n X(135) = X(135)-JVS(382)*X(80)-JVS(383)*X(134)\n X(136) = X(136)-JVS(388)*X(133)-JVS(389)*X(134)-JVS(390)*X(135)\n X(137) = X(137)-JVS(394)*X(106)-JVS(395)*X(135)-JVS(396)*X(136)\n X(139) = X(139)-JVS(405)*X(105)\n X(140) = X(140)-JVS(410)*X(139)\n X(141) = X(141)-JVS(414)*X(113)-JVS(415)*X(136)-JVS(416)*X(137)-JVS(417)*X(139)-JVS(418)*X(140)\n X(142) = X(142)-JVS(422)*X(90)-JVS(423)*X(138)\n X(143) = X(143)-JVS(429)*X(104)-JVS(430)*X(120)-JVS(431)*X(127)\n X(144) = X(144)-JVS(437)*X(81)-JVS(438)*X(120)\n X(145) = X(145)-JVS(444)*X(13)-JVS(445)*X(14)-JVS(446)*X(100)\n X(146) = X(146)-JVS(452)*X(85)\n X(147) = X(147)-JVS(459)*X(1)-JVS(460)*X(107)-JVS(461)*X(116)-JVS(462)*X(127)\n X(148) = X(148)-JVS(470)*X(144)\n X(149) = X(149)-JVS(477)*X(135)-JVS(478)*X(136)-JVS(479)*X(144)-JVS(480)*X(148)\n X(150) = X(150)-JVS(487)*X(97)-JVS(488)*X(130)\n X(152) = X(152)-JVS(501)*X(126)-JVS(502)*X(130)-JVS(503)*X(145)-JVS(504)*X(150)-JVS(505)*X(151)\n X(153) = X(153)-JVS(514)*X(108)-JVS(515)*X(109)-JVS(516)*X(131)-JVS(517)*X(132)-JVS(518)*X(137)-JVS(519)*X(138)&\n &-JVS(520)*X(141)-JVS(521)*X(142)-JVS(522)*X(144)-JVS(523)*X(147)-JVS(524)*X(148)-JVS(525)*X(149)-JVS(526)&\n &*X(150)-JVS(527)*X(151)-JVS(528)*X(152)\n X(154) = X(154)-JVS(538)*X(5)-JVS(539)*X(13)-JVS(540)*X(14)-JVS(541)*X(76)-JVS(542)*X(78)-JVS(543)*X(116)-JVS(544)&\n &*X(121)-JVS(545)*X(122)-JVS(546)*X(124)-JVS(547)*X(127)-JVS(548)*X(128)-JVS(549)*X(143)-JVS(550)*X(145)&\n &-JVS(551)*X(146)-JVS(552)*X(147)-JVS(553)*X(150)-JVS(554)*X(151)-JVS(555)*X(152)\n X(155) = X(155)-JVS(564)*X(82)-JVS(565)*X(105)-JVS(566)*X(106)-JVS(567)*X(113)-JVS(568)*X(120)-JVS(569)*X(133)&\n &-JVS(570)*X(134)-JVS(571)*X(137)-JVS(572)*X(138)-JVS(573)*X(139)-JVS(574)*X(140)-JVS(575)*X(141)-JVS(576)&\n &*X(142)-JVS(577)*X(143)-JVS(578)*X(146)-JVS(579)*X(148)-JVS(580)*X(149)-JVS(581)*X(150)-JVS(582)*X(151)&\n &-JVS(583)*X(153)-JVS(584)*X(154)\n X(156) = X(156)-JVS(592)*X(13)-JVS(593)*X(14)-JVS(594)*X(107)-JVS(595)*X(110)-JVS(596)*X(111)-JVS(597)*X(112)-JVS(598)&\n &*X(114)-JVS(599)*X(115)-JVS(600)*X(121)-JVS(601)*X(122)-JVS(602)*X(124)-JVS(603)*X(125)-JVS(604)*X(126)&\n &-JVS(605)*X(127)-JVS(606)*X(128)-JVS(607)*X(129)-JVS(608)*X(130)-JVS(609)*X(131)-JVS(610)*X(132)-JVS(611)&\n &*X(133)-JVS(612)*X(134)-JVS(613)*X(135)-JVS(614)*X(136)-JVS(615)*X(137)-JVS(616)*X(138)-JVS(617)*X(139)&\n &-JVS(618)*X(140)-JVS(619)*X(141)-JVS(620)*X(142)-JVS(621)*X(143)-JVS(622)*X(145)-JVS(623)*X(146)-JVS(624)&\n &*X(147)-JVS(625)*X(148)-JVS(626)*X(149)-JVS(627)*X(150)-JVS(628)*X(151)-JVS(629)*X(152)-JVS(630)*X(153)&\n &-JVS(631)*X(154)-JVS(632)*X(155)\n X(157) = X(157)-JVS(639)*X(13)-JVS(640)*X(14)-JVS(641)*X(120)-JVS(642)*X(121)-JVS(643)*X(122)-JVS(644)*X(127)-JVS(645)&\n &*X(128)-JVS(646)*X(143)-JVS(647)*X(144)-JVS(648)*X(145)-JVS(649)*X(146)-JVS(650)*X(148)-JVS(651)*X(149)&\n &-JVS(652)*X(150)-JVS(653)*X(151)-JVS(654)*X(153)-JVS(655)*X(154)-JVS(656)*X(155)-JVS(657)*X(156)\n X(158) = X(158)-JVS(663)*X(89)-JVS(664)*X(145)-JVS(665)*X(151)-JVS(666)*X(152)-JVS(667)*X(155)-JVS(668)*X(156)&\n &-JVS(669)*X(157)\n X(159) = X(159)-JVS(674)*X(96)-JVS(675)*X(126)-JVS(676)*X(145)-JVS(677)*X(147)-JVS(678)*X(150)-JVS(679)*X(151)&\n &-JVS(680)*X(152)-JVS(681)*X(154)-JVS(682)*X(155)-JVS(683)*X(156)-JVS(684)*X(157)-JVS(685)*X(158)\n X(160) = X(160)-JVS(689)*X(13)-JVS(690)*X(14)-JVS(691)*X(144)-JVS(692)*X(148)-JVS(693)*X(149)-JVS(694)*X(153)-JVS(695)&\n &*X(154)-JVS(696)*X(155)-JVS(697)*X(156)-JVS(698)*X(157)-JVS(699)*X(158)-JVS(700)*X(159)\n X(161) = X(161)-JVS(703)*X(105)-JVS(704)*X(106)-JVS(705)*X(113)-JVS(706)*X(123)-JVS(707)*X(126)-JVS(708)*X(127)&\n &-JVS(709)*X(129)-JVS(710)*X(131)-JVS(711)*X(132)-JVS(712)*X(133)-JVS(713)*X(134)-JVS(714)*X(135)-JVS(715)&\n &*X(136)-JVS(716)*X(137)-JVS(717)*X(138)-JVS(718)*X(139)-JVS(719)*X(140)-JVS(720)*X(141)-JVS(721)*X(142)&\n &-JVS(722)*X(143)-JVS(723)*X(146)-JVS(724)*X(147)-JVS(725)*X(148)-JVS(726)*X(149)-JVS(727)*X(150)-JVS(728)&\n &*X(151)-JVS(729)*X(152)-JVS(730)*X(153)-JVS(731)*X(154)-JVS(732)*X(155)-JVS(733)*X(156)-JVS(734)*X(157)&\n &-JVS(735)*X(158)-JVS(736)*X(159)-JVS(737)*X(160)\n X(161) = X(161)/JVS(738)\n X(160) = (X(160)-JVS(702)*X(161))/(JVS(701))\n X(159) = (X(159)-JVS(687)*X(160)-JVS(688)*X(161))/(JVS(686))\n X(158) = (X(158)-JVS(671)*X(159)-JVS(672)*X(160)-JVS(673)*X(161))/(JVS(670))\n X(157) = (X(157)-JVS(659)*X(158)-JVS(660)*X(159)-JVS(661)*X(160)-JVS(662)*X(161))/(JVS(658))\n X(156) = (X(156)-JVS(634)*X(157)-JVS(635)*X(158)-JVS(636)*X(159)-JVS(637)*X(160)-JVS(638)*X(161))/(JVS(633))\n X(155) = (X(155)-JVS(586)*X(156)-JVS(587)*X(157)-JVS(588)*X(158)-JVS(589)*X(159)-JVS(590)*X(160)-JVS(591)*X(161))&\n &/(JVS(585))\n X(154) = (X(154)-JVS(557)*X(155)-JVS(558)*X(156)-JVS(559)*X(157)-JVS(560)*X(158)-JVS(561)*X(159)-JVS(562)*X(160)&\n &-JVS(563)*X(161))/(JVS(556))\n X(153) = (X(153)-JVS(530)*X(154)-JVS(531)*X(155)-JVS(532)*X(156)-JVS(533)*X(157)-JVS(534)*X(158)-JVS(535)*X(159)&\n &-JVS(536)*X(160)-JVS(537)*X(161))/(JVS(529))\n X(152) = (X(152)-JVS(507)*X(155)-JVS(508)*X(156)-JVS(509)*X(157)-JVS(510)*X(158)-JVS(511)*X(159)-JVS(512)*X(160)&\n &-JVS(513)*X(161))/(JVS(506))\n X(151) = (X(151)-JVS(496)*X(155)-JVS(497)*X(156)-JVS(498)*X(158)-JVS(499)*X(159)-JVS(500)*X(161))/(JVS(495))\n X(150) = (X(150)-JVS(490)*X(151)-JVS(491)*X(155)-JVS(492)*X(156)-JVS(493)*X(157)-JVS(494)*X(159))/(JVS(489))\n X(149) = (X(149)-JVS(482)*X(153)-JVS(483)*X(156)-JVS(484)*X(157)-JVS(485)*X(160)-JVS(486)*X(161))/(JVS(481))\n X(148) = (X(148)-JVS(472)*X(149)-JVS(473)*X(153)-JVS(474)*X(157)-JVS(475)*X(160)-JVS(476)*X(161))/(JVS(471))\n X(147) = (X(147)-JVS(464)*X(150)-JVS(465)*X(152)-JVS(466)*X(154)-JVS(467)*X(156)-JVS(468)*X(157)-JVS(469)*X(158))&\n &/(JVS(463))\n X(146) = (X(146)-JVS(454)*X(151)-JVS(455)*X(155)-JVS(456)*X(156)-JVS(457)*X(157)-JVS(458)*X(161))/(JVS(453))\n X(145) = (X(145)-JVS(448)*X(156)-JVS(449)*X(157)-JVS(450)*X(158)-JVS(451)*X(159))/(JVS(447))\n X(144) = (X(144)-JVS(440)*X(148)-JVS(441)*X(149)-JVS(442)*X(157)-JVS(443)*X(160))/(JVS(439))\n X(143) = (X(143)-JVS(433)*X(154)-JVS(434)*X(155)-JVS(435)*X(157)-JVS(436)*X(161))/(JVS(432))\n X(142) = (X(142)-JVS(425)*X(148)-JVS(426)*X(149)-JVS(427)*X(156)-JVS(428)*X(161))/(JVS(424))\n X(141) = (X(141)-JVS(420)*X(156)-JVS(421)*X(161))/(JVS(419))\n X(140) = (X(140)-JVS(412)*X(156)-JVS(413)*X(161))/(JVS(411))\n X(139) = (X(139)-JVS(407)*X(140)-JVS(408)*X(156)-JVS(409)*X(161))/(JVS(406))\n X(138) = (X(138)-JVS(402)*X(142)-JVS(403)*X(156)-JVS(404)*X(161))/(JVS(401))\n X(137) = (X(137)-JVS(398)*X(141)-JVS(399)*X(156)-JVS(400)*X(161))/(JVS(397))\n X(136) = (X(136)-JVS(392)*X(156)-JVS(393)*X(161))/(JVS(391))\n X(135) = (X(135)-JVS(385)*X(136)-JVS(386)*X(156)-JVS(387)*X(161))/(JVS(384))\n X(134) = (X(134)-JVS(380)*X(156)-JVS(381)*X(161))/(JVS(379))\n X(133) = (X(133)-JVS(374)*X(134)-JVS(375)*X(156)-JVS(376)*X(161))/(JVS(373))\n X(132) = (X(132)-JVS(368)*X(137)-JVS(369)*X(141)-JVS(370)*X(156)-JVS(371)*X(161))/(JVS(367))\n X(131) = (X(131)-JVS(362)*X(132)-JVS(363)*X(156)-JVS(364)*X(161))/(JVS(361))\n X(130) = (X(130)-JVS(357)*X(150)-JVS(358)*X(151)-JVS(359)*X(156)-JVS(360)*X(159))/(JVS(356))\n X(129) = (X(129)-JVS(352)*X(132)-JVS(353)*X(137)-JVS(354)*X(156)-JVS(355)*X(161))/(JVS(351))\n X(128) = (X(128)-JVS(347)*X(143)-JVS(348)*X(155)-JVS(349)*X(156)-JVS(350)*X(157))/(JVS(346))\n X(127) = (X(127)-JVS(344)*X(154)-JVS(345)*X(157))/(JVS(343))\n X(126) = (X(126)-JVS(339)*X(152)-JVS(340)*X(156)-JVS(341)*X(161))/(JVS(338))\n X(125) = (X(125)-JVS(328)*X(129)-JVS(329)*X(131)-JVS(330)*X(132)-JVS(331)*X(133)-JVS(332)*X(134)-JVS(333)*X(138)&\n &-JVS(334)*X(142)-JVS(335)*X(156)-JVS(336)*X(161))/(JVS(327))\n X(124) = (X(124)-JVS(321)*X(127)-JVS(322)*X(143)-JVS(323)*X(154)-JVS(324)*X(156))/(JVS(320))\n X(123) = (X(123)-JVS(315)*X(127)-JVS(316)*X(143)-JVS(317)*X(154))/(JVS(314))\n X(122) = (X(122)-JVS(312)*X(156)-JVS(313)*X(157))/(JVS(311))\n X(121) = (X(121)-JVS(308)*X(156)-JVS(309)*X(157))/(JVS(307))\n X(120) = (X(120)-JVS(304)*X(157))/(JVS(303))\n X(119) = (X(119)-JVS(298)*X(153)-JVS(299)*X(157)-JVS(300)*X(160)-JVS(301)*X(161))/(JVS(297))\n X(118) = (X(118)-JVS(289)*X(119)-JVS(290)*X(153)-JVS(291)*X(157)-JVS(292)*X(160)-JVS(293)*X(161))/(JVS(288))\n X(117) = (X(117)-JVS(284)*X(118)-JVS(285)*X(119)-JVS(286)*X(153)-JVS(287)*X(161))/(JVS(283))\n X(116) = (X(116)-JVS(281)*X(147)-JVS(282)*X(154))/(JVS(280))\n X(115) = (X(115)-JVS(275)*X(125)-JVS(276)*X(156))/(JVS(274))\n X(114) = (X(114)-JVS(271)*X(115)-JVS(272)*X(156))/(JVS(270))\n X(113) = (X(113)-JVS(269)*X(161))/(JVS(268))\n X(112) = (X(112)-JVS(266)*X(156))/(JVS(265))\n X(111) = (X(111)-JVS(261)*X(112)-JVS(262)*X(156))/(JVS(260))\n X(110) = (X(110)-JVS(257)*X(124)-JVS(258)*X(156))/(JVS(256))\n X(109) = (X(109)-JVS(255)*X(153))/(JVS(254))\n X(108) = (X(108)-JVS(250)*X(109)-JVS(251)*X(153))/(JVS(249))\n X(107) = (X(107)-JVS(246)*X(147)-JVS(247)*X(156))/(JVS(245))\n X(106) = (X(106)-JVS(243)*X(161))/(JVS(242))\n X(105) = (X(105)-JVS(239)*X(161))/(JVS(238))\n X(104) = (X(104)-JVS(233)*X(120)-JVS(234)*X(127)-JVS(235)*X(157)-JVS(236)*X(161))/(JVS(232))\n X(103) = (X(103)-JVS(230)*X(116)-JVS(231)*X(154))/(JVS(229))\n X(102) = (X(102)-JVS(228)*X(116))/(JVS(227))\n X(101) = (X(101)-JVS(226)*X(116))/(JVS(225))\n X(100) = (X(100)-JVS(224)*X(145))/(JVS(223))\n X(99) = (X(99)-JVS(222)*X(120))/(JVS(221))\n X(98) = (X(98)-JVS(220)*X(127))/(JVS(219))\n X(97) = (X(97)-JVS(218)*X(150))/(JVS(217))\n X(96) = (X(96)-JVS(216)*X(159))/(JVS(215))\n X(95) = (X(95)-JVS(214)*X(113))/(JVS(213))\n X(94) = (X(94)-JVS(212)*X(106))/(JVS(211))\n X(93) = (X(93)-JVS(210)*X(111))/(JVS(209))\n X(92) = (X(92)-JVS(208)*X(122))/(JVS(207))\n X(91) = (X(91)-JVS(206)*X(121))/(JVS(205))\n X(90) = (X(90)-JVS(204)*X(142))/(JVS(203))\n X(89) = (X(89)-JVS(202)*X(158))/(JVS(201))\n X(88) = (X(88)-JVS(200)*X(108))/(JVS(199))\n X(87) = (X(87)-JVS(198)*X(125))/(JVS(197))\n X(86) = (X(86)-JVS(196)*X(107))/(JVS(195))\n X(85) = (X(85)-JVS(194)*X(146))/(JVS(193))\n X(84) = (X(84)-JVS(192)*X(119))/(JVS(191))\n X(83) = (X(83)-JVS(190)*X(134))/(JVS(189))\n X(82) = (X(82)-JVS(188)*X(155))/(JVS(187))\n X(81) = (X(81)-JVS(186)*X(144))/(JVS(185))\n X(80) = (X(80)-JVS(184)*X(135))/(JVS(183))\n X(79) = (X(79)-JVS(182)*X(105))/(JVS(181))\n X(78) = (X(78)-JVS(180)*X(154))/(JVS(179))\n X(77) = (X(77)-JVS(177)*X(78))/(JVS(176))\n X(76) = (X(76)-JVS(175)*X(154))/(JVS(174))\n X(75) = (X(75)-JVS(172)*X(76))/(JVS(171))\n X(74) = (X(74)-JVS(170)*X(126))/(JVS(169))\n X(73) = (X(73)-JVS(168)*X(120))/(JVS(167))\n X(72) = (X(72)-JVS(166)*X(127))/(JVS(165))\n X(71) = (X(71)-JVS(162)*X(117)-JVS(163)*X(118)-JVS(164)*X(119))/(JVS(161))\n X(70) = (X(70)-JVS(159)*X(139)-JVS(160)*X(140))/(JVS(158))\n X(69) = (X(69)-JVS(157)*X(105))/(JVS(156))\n X(68) = (X(68)-JVS(154)*X(151)-JVS(155)*X(155))/(JVS(153))\n X(67) = (X(67)-JVS(150)*X(144)-JVS(151)*X(148)-JVS(152)*X(149))/(JVS(149))\n X(66) = (X(66)-JVS(147)*X(135)-JVS(148)*X(136))/(JVS(146))\n X(65) = (X(65)-JVS(144)*X(133)-JVS(145)*X(134))/(JVS(143))\n X(64) = (X(64)-JVS(140)*X(129)-JVS(141)*X(131)-JVS(142)*X(132))/(JVS(139))\n X(63) = (X(63)-JVS(137)*X(137)-JVS(138)*X(141))/(JVS(136))\n X(62) = (X(62)-JVS(133)*X(76)-JVS(134)*X(78)-JVS(135)*X(154))/(JVS(132))\n X(61) = (X(61)-JVS(131)*X(62))/(JVS(130))\n X(60) = (X(60)-JVS(128)*X(76)-JVS(129)*X(78))/(JVS(127))\n X(59) = (X(59)-JVS(126)*X(60))/(JVS(125))\n X(58) = (X(58)-JVS(124)*X(78))/(JVS(123))\n X(57) = (X(57)-JVS(122)*X(76))/(JVS(121))\n X(56) = (X(56)-JVS(118)*X(102)-JVS(119)*X(103)-JVS(120)*X(116))/(JVS(117))\n X(55) = (X(55)-JVS(116)*X(56))/(JVS(115))\n X(54) = (X(54)-JVS(114)*X(103))/(JVS(113))\n X(53) = (X(53)-JVS(110)*X(116)-JVS(111)*X(147)-JVS(112)*X(154))/(JVS(109))\n X(52) = (X(52)-JVS(107)*X(53)-JVS(108)*X(102))/(JVS(106))\n X(51) = (X(51)-JVS(105)*X(116))/(JVS(104))\n X(50) = (X(50)-JVS(102)*X(130)-JVS(103)*X(150))/(JVS(101))\n X(49) = (X(49)-JVS(99)*X(126)-JVS(100)*X(152))/(JVS(98))\n X(48) = (X(48)-JVS(97)*X(159))/(JVS(96))\n X(47) = X(47)/JVS(95)\n X(46) = X(46)/JVS(93)\n X(45) = X(45)/JVS(91)\n X(44) = X(44)/JVS(89)\n X(43) = (X(43)-JVS(87)*X(156))/(JVS(86))\n X(42) = X(42)/JVS(85)\n X(41) = X(41)/JVS(83)\n X(40) = X(40)/JVS(81)\n X(39) = X(39)/JVS(79)\n X(38) = X(38)/JVS(77)\n X(37) = X(37)/JVS(75)\n X(36) = (X(36)-JVS(73)*X(112))/(JVS(72))\n X(35) = (X(35)-JVS(71)*X(109))/(JVS(70))\n X(34) = (X(34)-JVS(69)*X(147))/(JVS(68))\n X(33) = (X(33)-JVS(67)*X(161))/(JVS(66))\n X(32) = (X(32)-JVS(65)*X(113))/(JVS(64))\n X(31) = (X(31)-JVS(63)*X(106))/(JVS(62))\n X(30) = (X(30)-JVS(61)*X(111))/(JVS(60))\n X(29) = (X(29)-JVS(57)*X(110)-JVS(58)*X(124)-JVS(59)*X(154))/(JVS(56))\n X(28) = (X(28)-JVS(55)*X(122))/(JVS(54))\n X(27) = (X(27)-JVS(53)*X(121))/(JVS(52))\n X(26) = (X(26)-JVS(50)*X(138)-JVS(51)*X(142))/(JVS(49))\n X(25) = (X(25)-JVS(48)*X(158))/(JVS(47))\n X(24) = (X(24)-JVS(46)*X(146))/(JVS(45))\n X(23) = (X(23)-JVS(44)*X(108))/(JVS(43))\n X(22) = (X(22)-JVS(40)*X(131)-JVS(41)*X(132)-JVS(42)*X(161))/(JVS(39))\n X(21) = (X(21)-JVS(35)*X(22)-JVS(36)*X(114)-JVS(37)*X(115)-JVS(38)*X(125))/(JVS(34))\n X(20) = (X(20)-JVS(33)*X(107))/(JVS(32))\n X(19) = (X(19)-JVS(24)*X(104)-JVS(25)*X(123)-JVS(26)*X(128)-JVS(27)*X(143)-JVS(28)*X(145)-JVS(29)*X(148)-JVS(30)&\n &*X(157)-JVS(31)*X(160))/(JVS(23))\n X(18) = X(18)/JVS(22)\n X(17) = X(17)/JVS(20)\n X(16) = X(16)/JVS(19)\n X(15) = X(15)/JVS(18)\n X(14) = X(14)/JVS(17)\n X(13) = X(13)/JVS(16)\n X(12) = X(12)/JVS(15)\n X(11) = X(11)/JVS(13)\n X(10) = X(10)/JVS(12)\n X(9) = X(9)/JVS(10)\n X(8) = X(8)/JVS(8)\n X(7) = X(7)/JVS(7)\n X(6) = X(6)/JVS(6)\n X(5) = X(5)/JVS(5)\n X(4) = X(4)/JVS(4)\n X(3) = X(3)/JVS(3)\n X(2) = X(2)/JVS(2)\n X(1) = X(1)/JVS(1)\n \nEND SUBROUTINE KppSolve\n\n! End of KppSolve function\n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\n\n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n! \n! KppSolveTR - sparse, transposed back substitution\n! Arguments :\n! JVS - sparse Jacobian of variables\n! X - Vector for variables\n! XX - Vector for output variables\n! \n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\nSUBROUTINE KppSolveTR ( JVS, X, XX )\n\n! JVS - sparse Jacobian of variables\n REAL(kind=dp) :: JVS(LU_NONZERO)\n! X - Vector for variables\n REAL(kind=dp) :: X(NVAR)\n! XX - Vector for output variables\n REAL(kind=dp) :: XX(NVAR)\n\n XX(1) = X(1)/JVS(1)\n XX(2) = X(2)/JVS(2)\n XX(3) = X(3)/JVS(3)\n XX(4) = X(4)/JVS(4)\n XX(5) = X(5)/JVS(5)\n XX(6) = X(6)/JVS(6)\n XX(7) = X(7)/JVS(7)\n XX(8) = X(8)/JVS(8)\n XX(9) = X(9)/JVS(10)\n XX(10) = X(10)/JVS(12)\n XX(11) = X(11)/JVS(13)\n XX(12) = X(12)/JVS(15)\n XX(13) = X(13)/JVS(16)\n XX(14) = X(14)/JVS(17)\n XX(15) = X(15)/JVS(18)\n XX(16) = X(16)/JVS(19)\n XX(17) = X(17)/JVS(20)\n XX(18) = X(18)/JVS(22)\n XX(19) = X(19)/JVS(23)\n XX(20) = X(20)/JVS(32)\n XX(21) = X(21)/JVS(34)\n XX(22) = (X(22)-JVS(35)*XX(21))/(JVS(39))\n XX(23) = X(23)/JVS(43)\n XX(24) = X(24)/JVS(45)\n XX(25) = X(25)/JVS(47)\n XX(26) = X(26)/JVS(49)\n XX(27) = X(27)/JVS(52)\n XX(28) = X(28)/JVS(54)\n XX(29) = X(29)/JVS(56)\n XX(30) = X(30)/JVS(60)\n XX(31) = X(31)/JVS(62)\n XX(32) = X(32)/JVS(64)\n XX(33) = X(33)/JVS(66)\n XX(34) = X(34)/JVS(68)\n XX(35) = X(35)/JVS(70)\n XX(36) = X(36)/JVS(72)\n XX(37) = X(37)/JVS(75)\n XX(38) = X(38)/JVS(77)\n XX(39) = X(39)/JVS(79)\n XX(40) = X(40)/JVS(81)\n XX(41) = X(41)/JVS(83)\n XX(42) = X(42)/JVS(85)\n XX(43) = X(43)/JVS(86)\n XX(44) = X(44)/JVS(89)\n XX(45) = X(45)/JVS(91)\n XX(46) = X(46)/JVS(93)\n XX(47) = X(47)/JVS(95)\n XX(48) = X(48)/JVS(96)\n XX(49) = X(49)/JVS(98)\n XX(50) = X(50)/JVS(101)\n XX(51) = X(51)/JVS(104)\n XX(52) = X(52)/JVS(106)\n XX(53) = (X(53)-JVS(107)*XX(52))/(JVS(109))\n XX(54) = X(54)/JVS(113)\n XX(55) = X(55)/JVS(115)\n XX(56) = (X(56)-JVS(116)*XX(55))/(JVS(117))\n XX(57) = X(57)/JVS(121)\n XX(58) = X(58)/JVS(123)\n XX(59) = X(59)/JVS(125)\n XX(60) = (X(60)-JVS(126)*XX(59))/(JVS(127))\n XX(61) = X(61)/JVS(130)\n XX(62) = (X(62)-JVS(131)*XX(61))/(JVS(132))\n XX(63) = X(63)/JVS(136)\n XX(64) = X(64)/JVS(139)\n XX(65) = X(65)/JVS(143)\n XX(66) = X(66)/JVS(146)\n XX(67) = X(67)/JVS(149)\n XX(68) = X(68)/JVS(153)\n XX(69) = X(69)/JVS(156)\n XX(70) = X(70)/JVS(158)\n XX(71) = X(71)/JVS(161)\n XX(72) = X(72)/JVS(165)\n XX(73) = X(73)/JVS(167)\n XX(74) = X(74)/JVS(169)\n XX(75) = X(75)/JVS(171)\n XX(76) = (X(76)-JVS(122)*XX(57)-JVS(128)*XX(60)-JVS(133)*XX(62)-JVS(172)*XX(75))/(JVS(174))\n XX(77) = X(77)/JVS(176)\n XX(78) = (X(78)-JVS(124)*XX(58)-JVS(129)*XX(60)-JVS(134)*XX(62)-JVS(177)*XX(77))/(JVS(179))\n XX(79) = X(79)/JVS(181)\n XX(80) = X(80)/JVS(183)\n XX(81) = X(81)/JVS(185)\n XX(82) = X(82)/JVS(187)\n XX(83) = X(83)/JVS(189)\n XX(84) = X(84)/JVS(191)\n XX(85) = X(85)/JVS(193)\n XX(86) = X(86)/JVS(195)\n XX(87) = X(87)/JVS(197)\n XX(88) = X(88)/JVS(199)\n XX(89) = X(89)/JVS(201)\n XX(90) = X(90)/JVS(203)\n XX(91) = X(91)/JVS(205)\n XX(92) = X(92)/JVS(207)\n XX(93) = X(93)/JVS(209)\n XX(94) = X(94)/JVS(211)\n XX(95) = X(95)/JVS(213)\n XX(96) = X(96)/JVS(215)\n XX(97) = X(97)/JVS(217)\n XX(98) = X(98)/JVS(219)\n XX(99) = X(99)/JVS(221)\n XX(100) = X(100)/JVS(223)\n XX(101) = X(101)/JVS(225)\n XX(102) = (X(102)-JVS(108)*XX(52)-JVS(118)*XX(56))/(JVS(227))\n XX(103) = (X(103)-JVS(114)*XX(54)-JVS(119)*XX(56))/(JVS(229))\n XX(104) = (X(104)-JVS(24)*XX(19))/(JVS(232))\n XX(105) = (X(105)-JVS(157)*XX(69)-JVS(182)*XX(79))/(JVS(238))\n XX(106) = (X(106)-JVS(63)*XX(31)-JVS(212)*XX(94))/(JVS(242))\n XX(107) = (X(107)-JVS(33)*XX(20)-JVS(196)*XX(86))/(JVS(245))\n XX(108) = (X(108)-JVS(44)*XX(23)-JVS(200)*XX(88))/(JVS(249))\n XX(109) = (X(109)-JVS(71)*XX(35)-JVS(250)*XX(108))/(JVS(254))\n XX(110) = (X(110)-JVS(57)*XX(29))/(JVS(256))\n XX(111) = (X(111)-JVS(61)*XX(30)-JVS(210)*XX(93))/(JVS(260))\n XX(112) = (X(112)-JVS(73)*XX(36)-JVS(261)*XX(111))/(JVS(265))\n XX(113) = (X(113)-JVS(65)*XX(32)-JVS(214)*XX(95))/(JVS(268))\n XX(114) = (X(114)-JVS(36)*XX(21))/(JVS(270))\n XX(115) = (X(115)-JVS(37)*XX(21)-JVS(271)*XX(114))/(JVS(274))\n XX(116) = (X(116)-JVS(105)*XX(51)-JVS(110)*XX(53)-JVS(120)*XX(56)-JVS(226)*XX(101)-JVS(228)*XX(102)-JVS(230)*XX(103))&\n &/(JVS(280))\n XX(117) = (X(117)-JVS(162)*XX(71))/(JVS(283))\n XX(118) = (X(118)-JVS(163)*XX(71)-JVS(284)*XX(117))/(JVS(288))\n XX(119) = (X(119)-JVS(164)*XX(71)-JVS(192)*XX(84)-JVS(285)*XX(117)-JVS(289)*XX(118))/(JVS(297))\n XX(120) = (X(120)-JVS(168)*XX(73)-JVS(222)*XX(99)-JVS(233)*XX(104))/(JVS(303))\n XX(121) = (X(121)-JVS(53)*XX(27)-JVS(206)*XX(91))/(JVS(307))\n XX(122) = (X(122)-JVS(55)*XX(28)-JVS(208)*XX(92))/(JVS(311))\n XX(123) = (X(123)-JVS(25)*XX(19))/(JVS(314))\n XX(124) = (X(124)-JVS(58)*XX(29)-JVS(257)*XX(110))/(JVS(320))\n XX(125) = (X(125)-JVS(38)*XX(21)-JVS(198)*XX(87)-JVS(275)*XX(115))/(JVS(327))\n XX(126) = (X(126)-JVS(99)*XX(49)-JVS(170)*XX(74))/(JVS(338))\n XX(127) = (X(127)-JVS(166)*XX(72)-JVS(220)*XX(98)-JVS(234)*XX(104)-JVS(315)*XX(123)-JVS(321)*XX(124))/(JVS(343))\n XX(128) = (X(128)-JVS(26)*XX(19))/(JVS(346))\n XX(129) = (X(129)-JVS(140)*XX(64)-JVS(328)*XX(125))/(JVS(351))\n XX(130) = (X(130)-JVS(102)*XX(50))/(JVS(356))\n XX(131) = (X(131)-JVS(40)*XX(22)-JVS(141)*XX(64)-JVS(329)*XX(125))/(JVS(361))\n XX(132) = (X(132)-JVS(41)*XX(22)-JVS(142)*XX(64)-JVS(330)*XX(125)-JVS(352)*XX(129)-JVS(362)*XX(131))/(JVS(367))\n XX(133) = (X(133)-JVS(144)*XX(65)-JVS(331)*XX(125))/(JVS(373))\n XX(134) = (X(134)-JVS(145)*XX(65)-JVS(190)*XX(83)-JVS(332)*XX(125)-JVS(374)*XX(133))/(JVS(379))\n XX(135) = (X(135)-JVS(147)*XX(66)-JVS(184)*XX(80))/(JVS(384))\n XX(136) = (X(136)-JVS(148)*XX(66)-JVS(385)*XX(135))/(JVS(391))\n XX(137) = (X(137)-JVS(137)*XX(63)-JVS(353)*XX(129)-JVS(368)*XX(132))/(JVS(397))\n XX(138) = (X(138)-JVS(50)*XX(26)-JVS(333)*XX(125))/(JVS(401))\n XX(139) = (X(139)-JVS(159)*XX(70))/(JVS(406))\n XX(140) = (X(140)-JVS(160)*XX(70)-JVS(407)*XX(139))/(JVS(411))\n XX(141) = (X(141)-JVS(138)*XX(63)-JVS(369)*XX(132)-JVS(398)*XX(137))/(JVS(419))\n XX(142) = (X(142)-JVS(51)*XX(26)-JVS(204)*XX(90)-JVS(334)*XX(125)-JVS(402)*XX(138))/(JVS(424))\n XX(143) = (X(143)-JVS(27)*XX(19)-JVS(316)*XX(123)-JVS(322)*XX(124)-JVS(347)*XX(128))/(JVS(432))\n XX(144) = (X(144)-JVS(150)*XX(67)-JVS(186)*XX(81))/(JVS(439))\n XX(145) = (X(145)-JVS(28)*XX(19)-JVS(224)*XX(100))/(JVS(447))\n XX(146) = (X(146)-JVS(46)*XX(24)-JVS(194)*XX(85))/(JVS(453))\n XX(147) = (X(147)-JVS(69)*XX(34)-JVS(111)*XX(53)-JVS(246)*XX(107)-JVS(281)*XX(116))/(JVS(463))\n XX(148) = (X(148)-JVS(29)*XX(19)-JVS(151)*XX(67)-JVS(425)*XX(142)-JVS(440)*XX(144))/(JVS(471))\n XX(149) = (X(149)-JVS(152)*XX(67)-JVS(426)*XX(142)-JVS(441)*XX(144)-JVS(472)*XX(148))/(JVS(481))\n XX(150) = (X(150)-JVS(103)*XX(50)-JVS(218)*XX(97)-JVS(357)*XX(130)-JVS(464)*XX(147))/(JVS(489))\n XX(151) = (X(151)-JVS(154)*XX(68)-JVS(358)*XX(130)-JVS(454)*XX(146)-JVS(490)*XX(150))/(JVS(495))\n XX(152) = (X(152)-JVS(100)*XX(49)-JVS(339)*XX(126)-JVS(465)*XX(147))/(JVS(506))\n XX(153) = (X(153)-JVS(251)*XX(108)-JVS(255)*XX(109)-JVS(286)*XX(117)-JVS(290)*XX(118)-JVS(298)*XX(119)-JVS(473)&\n &*XX(148)-JVS(482)*XX(149))/(JVS(529))\n XX(154) = (X(154)-JVS(59)*XX(29)-JVS(112)*XX(53)-JVS(135)*XX(62)-JVS(175)*XX(76)-JVS(180)*XX(78)-JVS(231)*XX(103)&\n &-JVS(282)*XX(116)-JVS(317)*XX(123)-JVS(323)*XX(124)-JVS(344)*XX(127)-JVS(433)*XX(143)-JVS(466)*XX(147)&\n &-JVS(530)*XX(153))/(JVS(556))\n XX(155) = (X(155)-JVS(155)*XX(68)-JVS(188)*XX(82)-JVS(348)*XX(128)-JVS(434)*XX(143)-JVS(455)*XX(146)-JVS(491)*XX(150)&\n &-JVS(496)*XX(151)-JVS(507)*XX(152)-JVS(531)*XX(153)-JVS(557)*XX(154))/(JVS(585))\n XX(156) = (X(156)-JVS(87)*XX(43)-JVS(247)*XX(107)-JVS(258)*XX(110)-JVS(262)*XX(111)-JVS(266)*XX(112)-JVS(272)*XX(114)&\n &-JVS(276)*XX(115)-JVS(308)*XX(121)-JVS(312)*XX(122)-JVS(324)*XX(124)-JVS(335)*XX(125)-JVS(340)*XX(126)&\n &-JVS(349)*XX(128)-JVS(354)*XX(129)-JVS(359)*XX(130)-JVS(363)*XX(131)-JVS(370)*XX(132)-JVS(375)*XX(133)&\n &-JVS(380)*XX(134)-JVS(386)*XX(135)-JVS(392)*XX(136)-JVS(399)*XX(137)-JVS(403)*XX(138)-JVS(408)*XX(139)&\n &-JVS(412)*XX(140)-JVS(420)*XX(141)-JVS(427)*XX(142)-JVS(448)*XX(145)-JVS(456)*XX(146)-JVS(467)*XX(147)&\n &-JVS(483)*XX(149)-JVS(492)*XX(150)-JVS(497)*XX(151)-JVS(508)*XX(152)-JVS(532)*XX(153)-JVS(558)*XX(154)&\n &-JVS(586)*XX(155))/(JVS(633))\n XX(157) = (X(157)-JVS(30)*XX(19)-JVS(235)*XX(104)-JVS(291)*XX(118)-JVS(299)*XX(119)-JVS(304)*XX(120)-JVS(309)*XX(121)&\n &-JVS(313)*XX(122)-JVS(345)*XX(127)-JVS(350)*XX(128)-JVS(435)*XX(143)-JVS(442)*XX(144)-JVS(449)*XX(145)&\n &-JVS(457)*XX(146)-JVS(468)*XX(147)-JVS(474)*XX(148)-JVS(484)*XX(149)-JVS(493)*XX(150)-JVS(509)*XX(152)&\n &-JVS(533)*XX(153)-JVS(559)*XX(154)-JVS(587)*XX(155)-JVS(634)*XX(156))/(JVS(658))\n XX(158) = (X(158)-JVS(48)*XX(25)-JVS(202)*XX(89)-JVS(450)*XX(145)-JVS(469)*XX(147)-JVS(498)*XX(151)-JVS(510)*XX(152)&\n &-JVS(534)*XX(153)-JVS(560)*XX(154)-JVS(588)*XX(155)-JVS(635)*XX(156)-JVS(659)*XX(157))/(JVS(670))\n XX(159) = (X(159)-JVS(97)*XX(48)-JVS(216)*XX(96)-JVS(360)*XX(130)-JVS(451)*XX(145)-JVS(494)*XX(150)-JVS(499)*XX(151)&\n &-JVS(511)*XX(152)-JVS(535)*XX(153)-JVS(561)*XX(154)-JVS(589)*XX(155)-JVS(636)*XX(156)-JVS(660)*XX(157)&\n &-JVS(671)*XX(158))/(JVS(686))\n XX(160) = (X(160)-JVS(31)*XX(19)-JVS(292)*XX(118)-JVS(300)*XX(119)-JVS(443)*XX(144)-JVS(475)*XX(148)-JVS(485)*XX(149)&\n &-JVS(512)*XX(152)-JVS(536)*XX(153)-JVS(562)*XX(154)-JVS(590)*XX(155)-JVS(637)*XX(156)-JVS(661)*XX(157)&\n &-JVS(672)*XX(158)-JVS(687)*XX(159))/(JVS(701))\n XX(161) = (X(161)-JVS(42)*XX(22)-JVS(67)*XX(33)-JVS(236)*XX(104)-JVS(239)*XX(105)-JVS(243)*XX(106)-JVS(269)*XX(113)&\n &-JVS(287)*XX(117)-JVS(293)*XX(118)-JVS(301)*XX(119)-JVS(336)*XX(125)-JVS(341)*XX(126)-JVS(355)*XX(129)&\n &-JVS(364)*XX(131)-JVS(371)*XX(132)-JVS(376)*XX(133)-JVS(381)*XX(134)-JVS(387)*XX(135)-JVS(393)*XX(136)&\n &-JVS(400)*XX(137)-JVS(404)*XX(138)-JVS(409)*XX(139)-JVS(413)*XX(140)-JVS(421)*XX(141)-JVS(428)*XX(142)&\n &-JVS(436)*XX(143)-JVS(458)*XX(146)-JVS(476)*XX(148)-JVS(486)*XX(149)-JVS(500)*XX(151)-JVS(513)*XX(152)&\n &-JVS(537)*XX(153)-JVS(563)*XX(154)-JVS(591)*XX(155)-JVS(638)*XX(156)-JVS(662)*XX(157)-JVS(673)*XX(158)&\n &-JVS(688)*XX(159)-JVS(702)*XX(160))/(JVS(738))\n XX(161) = XX(161)\n XX(160) = XX(160)-JVS(737)*XX(161)\n XX(159) = XX(159)-JVS(700)*XX(160)-JVS(736)*XX(161)\n XX(158) = XX(158)-JVS(685)*XX(159)-JVS(699)*XX(160)-JVS(735)*XX(161)\n XX(157) = XX(157)-JVS(669)*XX(158)-JVS(684)*XX(159)-JVS(698)*XX(160)-JVS(734)*XX(161)\n XX(156) = XX(156)-JVS(657)*XX(157)-JVS(668)*XX(158)-JVS(683)*XX(159)-JVS(697)*XX(160)-JVS(733)*XX(161)\n XX(155) = XX(155)-JVS(632)*XX(156)-JVS(656)*XX(157)-JVS(667)*XX(158)-JVS(682)*XX(159)-JVS(696)*XX(160)-JVS(732)&\n &*XX(161)\n XX(154) = XX(154)-JVS(584)*XX(155)-JVS(631)*XX(156)-JVS(655)*XX(157)-JVS(681)*XX(159)-JVS(695)*XX(160)-JVS(731)&\n &*XX(161)\n XX(153) = XX(153)-JVS(583)*XX(155)-JVS(630)*XX(156)-JVS(654)*XX(157)-JVS(694)*XX(160)-JVS(730)*XX(161)\n XX(152) = XX(152)-JVS(528)*XX(153)-JVS(555)*XX(154)-JVS(629)*XX(156)-JVS(666)*XX(158)-JVS(680)*XX(159)-JVS(729)&\n &*XX(161)\n XX(151) = XX(151)-JVS(505)*XX(152)-JVS(527)*XX(153)-JVS(554)*XX(154)-JVS(582)*XX(155)-JVS(628)*XX(156)-JVS(653)&\n &*XX(157)-JVS(665)*XX(158)-JVS(679)*XX(159)-JVS(728)*XX(161)\n XX(150) = XX(150)-JVS(504)*XX(152)-JVS(526)*XX(153)-JVS(553)*XX(154)-JVS(581)*XX(155)-JVS(627)*XX(156)-JVS(652)&\n &*XX(157)-JVS(678)*XX(159)-JVS(727)*XX(161)\n XX(149) = XX(149)-JVS(525)*XX(153)-JVS(580)*XX(155)-JVS(626)*XX(156)-JVS(651)*XX(157)-JVS(693)*XX(160)-JVS(726)&\n &*XX(161)\n XX(148) = XX(148)-JVS(480)*XX(149)-JVS(524)*XX(153)-JVS(579)*XX(155)-JVS(625)*XX(156)-JVS(650)*XX(157)-JVS(692)&\n &*XX(160)-JVS(725)*XX(161)\n XX(147) = XX(147)-JVS(523)*XX(153)-JVS(552)*XX(154)-JVS(624)*XX(156)-JVS(677)*XX(159)-JVS(724)*XX(161)\n XX(146) = XX(146)-JVS(551)*XX(154)-JVS(578)*XX(155)-JVS(623)*XX(156)-JVS(649)*XX(157)-JVS(723)*XX(161)\n XX(145) = XX(145)-JVS(503)*XX(152)-JVS(550)*XX(154)-JVS(622)*XX(156)-JVS(648)*XX(157)-JVS(664)*XX(158)-JVS(676)&\n &*XX(159)\n XX(144) = XX(144)-JVS(470)*XX(148)-JVS(479)*XX(149)-JVS(522)*XX(153)-JVS(647)*XX(157)-JVS(691)*XX(160)\n XX(143) = XX(143)-JVS(549)*XX(154)-JVS(577)*XX(155)-JVS(621)*XX(156)-JVS(646)*XX(157)-JVS(722)*XX(161)\n XX(142) = XX(142)-JVS(521)*XX(153)-JVS(576)*XX(155)-JVS(620)*XX(156)-JVS(721)*XX(161)\n XX(141) = XX(141)-JVS(520)*XX(153)-JVS(575)*XX(155)-JVS(619)*XX(156)-JVS(720)*XX(161)\n XX(140) = XX(140)-JVS(418)*XX(141)-JVS(574)*XX(155)-JVS(618)*XX(156)-JVS(719)*XX(161)\n XX(139) = XX(139)-JVS(410)*XX(140)-JVS(417)*XX(141)-JVS(573)*XX(155)-JVS(617)*XX(156)-JVS(718)*XX(161)\n XX(138) = XX(138)-JVS(423)*XX(142)-JVS(519)*XX(153)-JVS(572)*XX(155)-JVS(616)*XX(156)-JVS(717)*XX(161)\n XX(137) = XX(137)-JVS(416)*XX(141)-JVS(518)*XX(153)-JVS(571)*XX(155)-JVS(615)*XX(156)-JVS(716)*XX(161)\n XX(136) = XX(136)-JVS(396)*XX(137)-JVS(415)*XX(141)-JVS(478)*XX(149)-JVS(614)*XX(156)-JVS(715)*XX(161)\n XX(135) = XX(135)-JVS(390)*XX(136)-JVS(395)*XX(137)-JVS(477)*XX(149)-JVS(613)*XX(156)-JVS(714)*XX(161)\n XX(134) = XX(134)-JVS(383)*XX(135)-JVS(389)*XX(136)-JVS(570)*XX(155)-JVS(612)*XX(156)-JVS(713)*XX(161)\n XX(133) = XX(133)-JVS(378)*XX(134)-JVS(388)*XX(136)-JVS(569)*XX(155)-JVS(611)*XX(156)-JVS(712)*XX(161)\n XX(132) = XX(132)-JVS(517)*XX(153)-JVS(610)*XX(156)-JVS(711)*XX(161)\n XX(131) = XX(131)-JVS(366)*XX(132)-JVS(516)*XX(153)-JVS(609)*XX(156)-JVS(710)*XX(161)\n XX(130) = XX(130)-JVS(488)*XX(150)-JVS(502)*XX(152)-JVS(608)*XX(156)\n XX(129) = XX(129)-JVS(365)*XX(132)-JVS(607)*XX(156)-JVS(709)*XX(161)\n XX(128) = XX(128)-JVS(548)*XX(154)-JVS(606)*XX(156)-JVS(645)*XX(157)\n XX(127) = XX(127)-JVS(431)*XX(143)-JVS(462)*XX(147)-JVS(547)*XX(154)-JVS(605)*XX(156)-JVS(644)*XX(157)-JVS(708)&\n &*XX(161)\n XX(126) = XX(126)-JVS(501)*XX(152)-JVS(604)*XX(156)-JVS(675)*XX(159)-JVS(707)*XX(161)\n XX(125) = XX(125)-JVS(603)*XX(156)\n XX(124) = XX(124)-JVS(546)*XX(154)-JVS(602)*XX(156)\n XX(123) = XX(123)-JVS(319)*XX(124)-JVS(706)*XX(161)\n XX(122) = XX(122)-JVS(545)*XX(154)-JVS(601)*XX(156)-JVS(643)*XX(157)\n XX(121) = XX(121)-JVS(544)*XX(154)-JVS(600)*XX(156)-JVS(642)*XX(157)\n XX(120) = XX(120)-JVS(306)*XX(121)-JVS(430)*XX(143)-JVS(438)*XX(144)-JVS(568)*XX(155)-JVS(641)*XX(157)\n XX(119) = XX(119)\n XX(118) = XX(118)-JVS(296)*XX(119)\n XX(117) = XX(117)-JVS(295)*XX(119)\n XX(116) = XX(116)-JVS(461)*XX(147)-JVS(543)*XX(154)\n XX(115) = XX(115)-JVS(326)*XX(125)-JVS(599)*XX(156)\n XX(114) = XX(114)-JVS(273)*XX(115)-JVS(598)*XX(156)\n XX(113) = XX(113)-JVS(372)*XX(133)-JVS(414)*XX(141)-JVS(567)*XX(155)-JVS(705)*XX(161)\n XX(112) = XX(112)-JVS(597)*XX(156)\n XX(111) = XX(111)-JVS(264)*XX(112)-JVS(596)*XX(156)\n XX(110) = XX(110)-JVS(318)*XX(124)-JVS(595)*XX(156)\n XX(109) = XX(109)-JVS(515)*XX(153)\n XX(108) = XX(108)-JVS(253)*XX(109)-JVS(514)*XX(153)\n XX(107) = XX(107)-JVS(460)*XX(147)-JVS(594)*XX(156)\n XX(106) = XX(106)-JVS(394)*XX(137)-JVS(566)*XX(155)-JVS(704)*XX(161)\n XX(105) = XX(105)-JVS(241)*XX(106)-JVS(405)*XX(139)-JVS(565)*XX(155)-JVS(703)*XX(161)\n XX(104) = XX(104)-JVS(429)*XX(143)\n XX(103) = XX(103)-JVS(279)*XX(116)\n XX(102) = XX(102)-JVS(278)*XX(116)\n XX(101) = XX(101)-JVS(277)*XX(116)\n XX(100) = XX(100)-JVS(446)*XX(145)\n XX(99) = XX(99)-JVS(302)*XX(120)\n XX(98) = XX(98)-JVS(342)*XX(127)\n XX(97) = XX(97)-JVS(487)*XX(150)\n XX(96) = XX(96)-JVS(674)*XX(159)\n XX(95) = XX(95)-JVS(267)*XX(113)\n XX(94) = XX(94)-JVS(240)*XX(106)\n XX(93) = XX(93)-JVS(259)*XX(111)\n XX(92) = XX(92)-JVS(310)*XX(122)\n XX(91) = XX(91)-JVS(305)*XX(121)\n XX(90) = XX(90)-JVS(422)*XX(142)\n XX(89) = XX(89)-JVS(663)*XX(158)\n XX(88) = XX(88)-JVS(248)*XX(108)\n XX(87) = XX(87)-JVS(325)*XX(125)\n XX(86) = XX(86)-JVS(244)*XX(107)\n XX(85) = XX(85)-JVS(452)*XX(146)\n XX(84) = XX(84)-JVS(294)*XX(119)\n XX(83) = XX(83)-JVS(377)*XX(134)\n XX(82) = XX(82)-JVS(564)*XX(155)\n XX(81) = XX(81)-JVS(437)*XX(144)\n XX(80) = XX(80)-JVS(382)*XX(135)\n XX(79) = XX(79)-JVS(237)*XX(105)\n XX(78) = XX(78)-JVS(542)*XX(154)\n XX(77) = XX(77)-JVS(178)*XX(78)\n XX(76) = XX(76)-JVS(541)*XX(154)\n XX(75) = XX(75)-JVS(173)*XX(76)\n XX(74) = XX(74)-JVS(337)*XX(126)\n XX(73) = XX(73)\n XX(72) = XX(72)\n XX(71) = XX(71)\n XX(70) = XX(70)\n XX(69) = XX(69)\n XX(68) = XX(68)\n XX(67) = XX(67)\n XX(66) = XX(66)\n XX(65) = XX(65)\n XX(64) = XX(64)\n XX(63) = XX(63)\n XX(62) = XX(62)\n XX(61) = XX(61)\n XX(60) = XX(60)\n XX(59) = XX(59)\n XX(58) = XX(58)\n XX(57) = XX(57)\n XX(56) = XX(56)\n XX(55) = XX(55)\n XX(54) = XX(54)\n XX(53) = XX(53)\n XX(52) = XX(52)\n XX(51) = XX(51)\n XX(50) = XX(50)\n XX(49) = XX(49)\n XX(48) = XX(48)\n XX(47) = XX(47)\n XX(46) = XX(46)\n XX(45) = XX(45)\n XX(44) = XX(44)\n XX(43) = XX(43)\n XX(42) = XX(42)\n XX(41) = XX(41)\n XX(40) = XX(40)\n XX(39) = XX(39)\n XX(38) = XX(38)\n XX(37) = XX(37)\n XX(36) = XX(36)\n XX(35) = XX(35)\n XX(34) = XX(34)\n XX(33) = XX(33)\n XX(32) = XX(32)\n XX(31) = XX(31)\n XX(30) = XX(30)\n XX(29) = XX(29)\n XX(28) = XX(28)\n XX(27) = XX(27)\n XX(26) = XX(26)\n XX(25) = XX(25)\n XX(24) = XX(24)\n XX(23) = XX(23)\n XX(22) = XX(22)\n XX(21) = XX(21)\n XX(20) = XX(20)\n XX(19) = XX(19)\n XX(18) = XX(18)-JVS(94)*XX(47)\n XX(17) = XX(17)-JVS(92)*XX(46)\n XX(16) = XX(16)-JVS(90)*XX(45)\n XX(15) = XX(15)-JVS(88)*XX(44)\n XX(14) = XX(14)-JVS(78)*XX(39)-JVS(445)*XX(145)-JVS(540)*XX(154)-JVS(593)*XX(156)-JVS(640)*XX(157)-JVS(690)*XX(160)\n XX(13) = XX(13)-JVS(76)*XX(38)-JVS(444)*XX(145)-JVS(539)*XX(154)-JVS(592)*XX(156)-JVS(639)*XX(157)-JVS(689)*XX(160)\n XX(12) = XX(12)-JVS(84)*XX(42)\n XX(11) = XX(11)-JVS(82)*XX(41)\n XX(10) = XX(10)-JVS(80)*XX(40)\n XX(9) = XX(9)-JVS(74)*XX(37)\n XX(8) = XX(8)-JVS(9)*XX(9)\n XX(7) = XX(7)-JVS(14)*XX(12)\n XX(6) = XX(6)-JVS(11)*XX(10)\n XX(5) = XX(5)-JVS(538)*XX(154)\n XX(4) = XX(4)-JVS(21)*XX(18)\n XX(3) = XX(3)-JVS(263)*XX(112)\n XX(2) = XX(2)-JVS(252)*XX(109)\n XX(1) = XX(1)-JVS(459)*XX(147)\n \nEND SUBROUTINE KppSolveTR\n\n! End of KppSolveTR function\n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\n\n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n! \n! BLAS_UTIL - BLAS-LIKE utility functions\n! Arguments :\n! \n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\n!--------------------------------------------------------------\n!\n! BLAS/LAPACK-like subroutines used by the integration algorithms\n! It is recommended to replace them by calls to the optimized\n! BLAS/LAPACK library for your machine\n!\n! (C) Adrian Sandu, Aug. 2004\n! Virginia Polytechnic Institute and State University\n!--------------------------------------------------------------\n\n\n!--------------------------------------------------------------\n SUBROUTINE WCOPY(N,X,incX,Y,incY)\n!--------------------------------------------------------------\n! copies a vector, x, to a vector, y: y <- x\n! only for incX=incY=1\n! after BLAS\n! replace this by the function from the optimized BLAS implementation:\n! CALL SCOPY(N,X,1,Y,1) or CALL DCOPY(N,X,1,Y,1)\n!--------------------------------------------------------------\n! USE aqchem_Precision\n \n INTEGER :: i,incX,incY,M,MP1,N\n REAL(kind=dp) :: X(N),Y(N)\n\n IF (N.LE.0) RETURN\n\n M = MOD(N,8)\n IF( M .NE. 0 ) THEN\n DO i = 1,M\n Y(i) = X(i)\n END DO\n IF( N .LT. 8 ) RETURN\n END IF \n MP1 = M+1\n DO i = MP1,N,8\n Y(i) = X(i)\n Y(i + 1) = X(i + 1)\n Y(i + 2) = X(i + 2)\n Y(i + 3) = X(i + 3)\n Y(i + 4) = X(i + 4)\n Y(i + 5) = X(i + 5)\n Y(i + 6) = X(i + 6)\n Y(i + 7) = X(i + 7)\n END DO\n\n END SUBROUTINE WCOPY\n\n\n!--------------------------------------------------------------\n SUBROUTINE WAXPY(N,Alpha,X,incX,Y,incY)\n!--------------------------------------------------------------\n! constant times a vector plus a vector: y <- y + Alpha*x\n! only for incX=incY=1\n! after BLAS\n! replace this by the function from the optimized BLAS implementation:\n! CALL SAXPY(N,Alpha,X,1,Y,1) or CALL DAXPY(N,Alpha,X,1,Y,1)\n!--------------------------------------------------------------\n\n INTEGER :: i,incX,incY,M,MP1,N\n REAL(kind=dp) :: X(N),Y(N),Alpha\n REAL(kind=dp), PARAMETER :: ZERO = 0.0_dp\n\n IF (Alpha .EQ. ZERO) RETURN\n IF (N .LE. 0) RETURN\n\n M = MOD(N,4)\n IF( M .NE. 0 ) THEN\n DO i = 1,M\n Y(i) = Y(i) + Alpha*X(i)\n END DO\n IF( N .LT. 4 ) RETURN\n END IF\n MP1 = M + 1\n DO i = MP1,N,4\n Y(i) = Y(i) + Alpha*X(i)\n Y(i + 1) = Y(i + 1) + Alpha*X(i + 1)\n Y(i + 2) = Y(i + 2) + Alpha*X(i + 2)\n Y(i + 3) = Y(i + 3) + Alpha*X(i + 3)\n END DO\n \n END SUBROUTINE WAXPY\n\n\n\n!--------------------------------------------------------------\n SUBROUTINE WSCAL(N,Alpha,X,incX)\n!--------------------------------------------------------------\n! constant times a vector: x(1:N) <- Alpha*x(1:N) \n! only for incX=incY=1\n! after BLAS\n! replace this by the function from the optimized BLAS implementation:\n! CALL SSCAL(N,Alpha,X,1) or CALL DSCAL(N,Alpha,X,1)\n!--------------------------------------------------------------\n\n INTEGER :: i,incX,M,MP1,N\n REAL(kind=dp) :: X(N),Alpha\n REAL(kind=dp), PARAMETER :: ZERO=0.0_dp, ONE=1.0_dp\n\n IF (Alpha .EQ. ONE) RETURN\n IF (N .LE. 0) RETURN\n\n M = MOD(N,5)\n IF( M .NE. 0 ) THEN\n IF (Alpha .EQ. (-ONE)) THEN\n DO i = 1,M\n X(i) = -X(i)\n END DO\n ELSEIF (Alpha .EQ. ZERO) THEN\n DO i = 1,M\n X(i) = ZERO\n END DO\n ELSE\n DO i = 1,M\n X(i) = Alpha*X(i)\n END DO\n END IF\n IF( N .LT. 5 ) RETURN\n END IF\n MP1 = M + 1\n IF (Alpha .EQ. (-ONE)) THEN\n DO i = MP1,N,5\n X(i) = -X(i)\n X(i + 1) = -X(i + 1)\n X(i + 2) = -X(i + 2)\n X(i + 3) = -X(i + 3)\n X(i + 4) = -X(i + 4)\n END DO\n ELSEIF (Alpha .EQ. ZERO) THEN\n DO i = MP1,N,5\n X(i) = ZERO\n X(i + 1) = ZERO\n X(i + 2) = ZERO\n X(i + 3) = ZERO\n X(i + 4) = ZERO\n END DO\n ELSE\n DO i = MP1,N,5\n X(i) = Alpha*X(i)\n X(i + 1) = Alpha*X(i + 1)\n X(i + 2) = Alpha*X(i + 2)\n X(i + 3) = Alpha*X(i + 3)\n X(i + 4) = Alpha*X(i + 4)\n END DO\n END IF\n\n END SUBROUTINE WSCAL\n\n!--------------------------------------------------------------\n REAL(kind=dp) FUNCTION WLAMCH( C )\n!--------------------------------------------------------------\n! returns epsilon machine\n! after LAPACK\n! replace this by the function from the optimized LAPACK implementation:\n! CALL SLAMCH('E') or CALL DLAMCH('E')\n!--------------------------------------------------------------\n! USE aqchem_Precision\n\n CHARACTER :: C\n INTEGER :: i\n REAL(kind=dp), SAVE :: Eps\n REAL(kind=dp) :: Suma\n REAL(kind=dp), PARAMETER :: ONE=1.0_dp, HALF=0.5_dp\n LOGICAL, SAVE :: First=.TRUE.\n \n IF (First) THEN\n First = .FALSE.\n Eps = HALF**(16)\n DO i = 17, 80\n Eps = Eps*HALF\n CALL WLAMCH_ADD(ONE,Eps,Suma)\n IF (Suma.LE.ONE) GOTO 10\n END DO\n PRINT*,'ERROR IN WLAMCH. EPS < ',Eps\n RETURN\n10 Eps = Eps*2\n i = i-1 \n END IF\n\n WLAMCH = Eps\n\n END FUNCTION WLAMCH\n \n SUBROUTINE WLAMCH_ADD( A, B, Suma )\n! USE aqchem_Precision\n \n REAL(kind=dp) A, B, Suma\n Suma = A + B\n\n END SUBROUTINE WLAMCH_ADD\n!--------------------------------------------------------------\n\n\n!--------------------------------------------------------------\n SUBROUTINE SET2ZERO(N,Y)\n!--------------------------------------------------------------\n! copies zeros into the vector y: y <- 0\n! after BLAS\n!--------------------------------------------------------------\n \n INTEGER :: i,M,MP1,N\n REAL(kind=dp) :: Y(N)\n REAL(kind=dp), PARAMETER :: ZERO = 0.0d0\n\n IF (N.LE.0) RETURN\n\n M = MOD(N,8)\n IF( M .NE. 0 ) THEN\n DO i = 1,M\n Y(i) = ZERO\n END DO\n IF( N .LT. 8 ) RETURN\n END IF \n MP1 = M+1\n DO i = MP1,N,8\n Y(i) = ZERO\n Y(i + 1) = ZERO\n Y(i + 2) = ZERO\n Y(i + 3) = ZERO\n Y(i + 4) = ZERO\n Y(i + 5) = ZERO\n Y(i + 6) = ZERO\n Y(i + 7) = ZERO\n END DO\n\n END SUBROUTINE SET2ZERO\n\n\n!--------------------------------------------------------------\n REAL(kind=dp) FUNCTION WDOT (N, DX, incX, DY, incY) \n!--------------------------------------------------------------\n! dot produce: wdot = x(1:N)*y(1:N) \n! only for incX=incY=1\n! after BLAS\n! replace this by the function from the optimized BLAS implementation:\n! CALL SDOT(N,X,1,Y,1) or CALL DDOT(N,X,1,Y,1)\n!--------------------------------------------------------------\n! USE messy_mecca_kpp_Precision\n!--------------------------------------------------------------\n IMPLICIT NONE\n INTEGER :: N, incX, incY\n REAL(kind=dp) :: DX(N), DY(N) \n\n INTEGER :: i, IX, IY, M, MP1, NS\n \n WDOT = 0.0D0 \n IF (N .LE. 0) RETURN \n IF (incX .EQ. incY) IF (incX-1) 5,20,60 \n! \n! Code for unequal or nonpositive increments. \n! \n 5 IX = 1 \n IY = 1 \n IF (incX .LT. 0) IX = (-N+1)*incX + 1 \n IF (incY .LT. 0) IY = (-N+1)*incY + 1 \n DO i = 1,N \n WDOT = WDOT + DX(IX)*DY(IY) \n IX = IX + incX \n IY = IY + incY \n END DO \n RETURN \n! \n! Code for both increments equal to 1. \n! \n! Clean-up loop so remaining vector length is a multiple of 5. \n! \n 20 M = MOD(N,5) \n IF (M .EQ. 0) GO TO 40 \n DO i = 1,M \n WDOT = WDOT + DX(i)*DY(i) \n END DO \n IF (N .LT. 5) RETURN \n 40 MP1 = M + 1 \n DO i = MP1,N,5 \n WDOT = WDOT + DX(i)*DY(i) + DX(i+1)*DY(i+1) + DX(i+2)*DY(i+2) + &\n DX(i+3)*DY(i+3) + DX(i+4)*DY(i+4) \n END DO \n RETURN \n! \n! Code for equal, positive, non-unit increments. \n! \n 60 NS = N*incX \n DO i = 1,NS,incX \n WDOT = WDOT + DX(i)*DY(i) \n END DO \n\n END FUNCTION WDOT \n\n\n!--------------------------------------------------------------\n SUBROUTINE WADD(N,X,Y,Z)\n!--------------------------------------------------------------\n! adds two vectors: z <- x + y\n! BLAS - like\n!--------------------------------------------------------------\n! USE aqchem_Precision\n \n INTEGER :: i, M, MP1, N\n REAL(kind=dp) :: X(N),Y(N),Z(N)\n\n IF (N.LE.0) RETURN\n\n M = MOD(N,5)\n IF( M /= 0 ) THEN\n DO i = 1,M\n Z(i) = X(i) + Y(i)\n END DO\n IF( N < 5 ) RETURN\n END IF \n MP1 = M+1\n DO i = MP1,N,5\n Z(i) = X(i) + Y(i)\n Z(i + 1) = X(i + 1) + Y(i + 1)\n Z(i + 2) = X(i + 2) + Y(i + 2)\n Z(i + 3) = X(i + 3) + Y(i + 3)\n Z(i + 4) = X(i + 4) + Y(i + 4)\n END DO\n\n END SUBROUTINE WADD\n \n \n \n!--------------------------------------------------------------\n SUBROUTINE WGEFA(N,A,Ipvt,info)\n!--------------------------------------------------------------\n! WGEFA FACTORS THE MATRIX A (N,N) BY\n! GAUSS ELIMINATION WITH PARTIAL PIVOTING\n! LINPACK - LIKE \n!--------------------------------------------------------------\n!\n INTEGER :: N,Ipvt(N),info\n REAL(kind=dp) :: A(N,N)\n REAL(kind=dp) :: t, dmax, da\n INTEGER :: j,k,l\n REAL(kind=dp), PARAMETER :: ZERO = 0.0, ONE = 1.0\n\n info = 0\n\nsize: IF (n > 1) THEN\n \ncol: DO k = 1, n-1\n\n! find l = pivot index\n! l = idamax(n-k+1,A(k,k),1) + k - 1\n l = k; dmax = abs(A(k,k))\n DO j = k+1,n\n da = ABS(A(j,k))\n IF (da > dmax) THEN\n l = j; dmax = da\n END IF\n END DO\n Ipvt(k) = l\n\n! zero pivot implies this column already triangularized\n IF (ABS(A(l,k)) < TINY(ZERO)) THEN\n info = k\n return\n ELSE \n IF (l /= k) THEN\n t = A(l,k); A(l,k) = A(k,k); A(k,k) = t\n END IF\n t = -ONE/A(k,k)\n CALL WSCAL(n-k,t,A(k+1,k),1)\n DO j = k+1, n\n t = A(l,j)\n IF (l /= k) THEN\n A(l,j) = A(k,j); A(k,j) = t\n END IF\n CALL WAXPY(n-k,t,A(k+1,k),1,A(k+1,j),1)\n END DO \n END IF\n \n END DO col\n \n END IF size\n \n Ipvt(N) = N\n IF (ABS(A(N,N)) == ZERO) info = N\n \n END SUBROUTINE WGEFA\n\n\n!--------------------------------------------------------------\n SUBROUTINE WGESL(Trans,N,A,Ipvt,b)\n!--------------------------------------------------------------\n! WGESL solves the system\n! a * x = b or trans(a) * x = b\n! using the factors computed by WGEFA.\n!\n! Trans = 'N' to solve A*x = b ,\n! = 'T' to solve transpose(A)*x = b\n! LINPACK - LIKE \n!--------------------------------------------------------------\n\n INTEGER :: N,Ipvt(N)\n CHARACTER :: trans\n REAL(kind=dp) :: A(N,N),b(N)\n REAL(kind=dp) :: t\n INTEGER :: k,kb,l\n\n \n SELECT CASE (Trans)\n\n CASE ('n','N') ! Solve A * x = b\n\n! first solve L*y = b\n IF (n >= 2) THEN\n DO k = 1, n-1\n l = Ipvt(k)\n t = b(l)\n IF (l /= k) THEN\n b(l) = b(k)\n b(k) = t\n END IF\n CALL WAXPY(n-k,t,a(k+1,k),1,b(k+1),1)\n END DO\n END IF\n! now solve U*x = y\n DO kb = 1, n\n k = n + 1 - kb\n b(k) = b(k)/a(k,k)\n t = -b(k)\n CALL WAXPY(k-1,t,a(1,k),1,b(1),1)\n END DO\n \n CASE ('t','T') ! Solve transpose(A) * x = b\n\n! first solve trans(U)*y = b\n DO k = 1, n\n t = WDOT(k-1,a(1,k),1,b(1),1)\n b(k) = (b(k) - t)/a(k,k)\n END DO\n! now solve trans(L)*x = y\n IF (n >= 2) THEN\n DO kb = 1, n-1\n k = n - kb\n b(k) = b(k) + WDOT(n-k,a(k+1,k),1,b(k+1),1)\n l = Ipvt(k)\n IF (l /= k) THEN\n t = b(l); b(l) = b(k); b(k) = t\n END IF\n END DO\n END IF\n \n END SELECT\n\n END SUBROUTINE WGESL\n! End of BLAS_UTIL function\n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\n\n\nEND MODULE aqchem_LinearAlgebra\n\n" }, { "path": "CCTM/src/cloud/acm_ae7_kmt2/aqchem_Model.F90", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n \nMODULE aqchem_Model\n\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n! Completely defines the model aqchem\n! by using all the associated modules\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\n USE aqchem_Precision\n USE aqchem_Parameters\n USE aqchem_Global\n USE aqchem_Function\n USE aqchem_Integrator\n USE aqchem_Rates\n USE aqchem_Jacobian\n USE aqchem_LinearAlgebra\n! USE aqchem_Monitor\n! USE aqchem_Util\n\nEND MODULE aqchem_Model\n\n" }, { "path": "CCTM/src/cloud/acm_ae7_kmt2/aqchem_Parameters.F90", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n \n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n! \n! Parameter Module File\n! \n! Generated by KPP-2.2.3 symbolic chemistry Kinetics PreProcessor\n! (http://www.cs.vt.edu/~asandu/Software/KPP)\n! KPP is distributed under GPL, the general public licence\n! (http://www.gnu.org/copyleft/gpl.html)\n! (C) 1995-1997, V. Damian & A. Sandu, CGRER, Univ. Iowa\n! (C) 1997-2005, A. Sandu, Michigan Tech, Virginia Tech\n! With important contributions from:\n! M. Damian, Villanova University, USA\n! R. Sander, Max-Planck Institute for Chemistry, Mainz, Germany\n! \n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\n\n\nMODULE aqchem_Parameters\n\n USE aqchem_Precision\n PUBLIC\n SAVE\n\n\n! NSPEC - Number of chemical species\n INTEGER, PARAMETER :: NSPEC = 165 \n! NVAR - Number of Variable species\n INTEGER, PARAMETER :: NVAR = 161 \n! NVARACT - Number of Active species\n INTEGER, PARAMETER :: NVARACT = 111 \n! NFIX - Number of Fixed species\n INTEGER, PARAMETER :: NFIX = 4 \n! NREACT - Number of reactions\n INTEGER, PARAMETER :: NREACT = 269 \n! NVARST - Starting of variables in conc. vect.\n INTEGER, PARAMETER :: NVARST = 1 \n! NFIXST - Starting of fixed in conc. vect.\n INTEGER, PARAMETER :: NFIXST = 162 \n! NONZERO - Number of nonzero entries in Jacobian\n INTEGER, PARAMETER :: NONZERO = 670 \n! LU_NONZERO - Number of nonzero entries in LU factoriz. of Jacobian\n INTEGER, PARAMETER :: LU_NONZERO = 738 \n! CNVAR - (NVAR+1) Number of elements in compressed row format\n INTEGER, PARAMETER :: CNVAR = 162 \n! NLOOKAT - Number of species to look at\n INTEGER, PARAMETER :: NLOOKAT = 165 \n! NMONITOR - Number of species to monitor\n INTEGER, PARAMETER :: NMONITOR = 0 \n! NMASS - Number of atoms to check mass balance\n INTEGER, PARAMETER :: NMASS = 1 \n\n! Index declaration for variable species in C and VAR\n! VAR(ind_spc) = C(ind_spc)\n\n INTEGER, PARAMETER :: ind_A_NO3AKN = 1 \n INTEGER, PARAMETER :: ind_A_NH4AKN = 2 \n INTEGER, PARAMETER :: ind_A_CLAKN = 3 \n INTEGER, PARAMETER :: ind_A_NAAKN = 4 \n INTEGER, PARAMETER :: ind_A_SO4AKN = 5 \n INTEGER, PARAMETER :: ind_A_PECAKN = 6 \n INTEGER, PARAMETER :: ind_A_POAAKN = 7 \n INTEGER, PARAMETER :: ind_A_PRIAKN = 8 \n INTEGER, PARAMETER :: ind_L_PRIACC = 9 \n INTEGER, PARAMETER :: ind_L_PECACC = 10 \n INTEGER, PARAMETER :: ind_L_ORGC = 11 \n INTEGER, PARAMETER :: ind_L_POAACC = 12 \n INTEGER, PARAMETER :: ind_L_FEPLUS3 = 13 \n INTEGER, PARAMETER :: ind_L_MNPLUS2 = 14 \n INTEGER, PARAMETER :: ind_L_CAPLUS2 = 15 \n INTEGER, PARAMETER :: ind_L_MGPLUS2 = 16 \n INTEGER, PARAMETER :: ind_L_KPLUS = 17 \n INTEGER, PARAMETER :: ind_L_NAPLUS = 18 \n INTEGER, PARAMETER :: ind_WD_SO2 = 19 \n INTEGER, PARAMETER :: ind_WD_HNO3 = 20 \n INTEGER, PARAMETER :: ind_WD_CO2 = 21 \n INTEGER, PARAMETER :: ind_L_CO2MIN = 22 \n INTEGER, PARAMETER :: ind_WD_NH4OH = 23 \n INTEGER, PARAMETER :: ind_WD_H2O2 = 24 \n INTEGER, PARAMETER :: ind_WD_O3 = 25 \n INTEGER, PARAMETER :: ind_WD_HCOOH = 26 \n INTEGER, PARAMETER :: ind_WD_MHP = 27 \n INTEGER, PARAMETER :: ind_WD_PAA = 28 \n INTEGER, PARAMETER :: ind_WD_H2SO4 = 29 \n INTEGER, PARAMETER :: ind_WD_HCL = 30 \n INTEGER, PARAMETER :: ind_WD_GLY = 31 \n INTEGER, PARAMETER :: ind_WD_MGLY = 32 \n INTEGER, PARAMETER :: ind_WD_HO = 33 \n INTEGER, PARAMETER :: ind_WD_NO3MIN = 34 \n INTEGER, PARAMETER :: ind_WD_NH4PLUS = 35 \n INTEGER, PARAMETER :: ind_WD_CLMIN = 36 \n INTEGER, PARAMETER :: ind_WD_PRIACC = 37 \n INTEGER, PARAMETER :: ind_WD_FEPLUS3 = 38 \n INTEGER, PARAMETER :: ind_WD_MNPLUS2 = 39 \n INTEGER, PARAMETER :: ind_WD_PECACC = 40 \n INTEGER, PARAMETER :: ind_WD_ORGC = 41 \n INTEGER, PARAMETER :: ind_WD_POAACC = 42 \n INTEGER, PARAMETER :: ind_WD_HPLUS = 43 \n INTEGER, PARAMETER :: ind_WD_CAPLUS2 = 44 \n INTEGER, PARAMETER :: ind_WD_MGPLUS2 = 45 \n INTEGER, PARAMETER :: ind_WD_KPLUS = 46 \n INTEGER, PARAMETER :: ind_WD_NAPLUS = 47 \n INTEGER, PARAMETER :: ind_WD_NO2 = 48 \n INTEGER, PARAMETER :: ind_WD_HONO = 49 \n INTEGER, PARAMETER :: ind_WD_HNO4 = 50 \n INTEGER, PARAMETER :: ind_WD_IEPOX = 51 \n INTEGER, PARAMETER :: ind_WD_IETET = 52 \n INTEGER, PARAMETER :: ind_L_ISO3 = 53 \n INTEGER, PARAMETER :: ind_WD_IEOS = 54 \n INTEGER, PARAMETER :: ind_WD_DIMER = 55 \n INTEGER, PARAMETER :: ind_L_DIMER = 56 \n INTEGER, PARAMETER :: ind_WD_IMAE = 57 \n INTEGER, PARAMETER :: ind_WD_IHMML = 58 \n INTEGER, PARAMETER :: ind_WD_IMGA = 59 \n INTEGER, PARAMETER :: ind_L_IMGA = 60 \n INTEGER, PARAMETER :: ind_WD_IMOS = 61 \n INTEGER, PARAMETER :: ind_L_IMOS = 62 \n INTEGER, PARAMETER :: ind_WD_GLYAC = 63 \n INTEGER, PARAMETER :: ind_WD_OXLAC = 64 \n INTEGER, PARAMETER :: ind_WD_PYRAC = 65 \n INTEGER, PARAMETER :: ind_WD_CCOOH = 66 \n INTEGER, PARAMETER :: ind_WD_CH2OHYD = 67 \n INTEGER, PARAMETER :: ind_WD_HO2 = 68 \n INTEGER, PARAMETER :: ind_WD_GCOL = 69 \n INTEGER, PARAMETER :: ind_WD_GCOLAC = 70 \n INTEGER, PARAMETER :: ind_WD_CH2OHYDP = 71 \n INTEGER, PARAMETER :: ind_WD_NO3 = 72 \n INTEGER, PARAMETER :: ind_WD_CH3O2 = 73 \n INTEGER, PARAMETER :: ind_G_HONO = 74 \n INTEGER, PARAMETER :: ind_G_IMAE = 75 \n INTEGER, PARAMETER :: ind_L_IMAE = 76 \n INTEGER, PARAMETER :: ind_G_IHMML = 77 \n INTEGER, PARAMETER :: ind_L_IHMML = 78 \n INTEGER, PARAMETER :: ind_G_GCOL = 79 \n INTEGER, PARAMETER :: ind_G_CCOOH = 80 \n INTEGER, PARAMETER :: ind_G_HCHO = 81 \n INTEGER, PARAMETER :: ind_G_HO2 = 82 \n INTEGER, PARAMETER :: ind_G_PYRAC = 83 \n INTEGER, PARAMETER :: ind_G_HCHOP = 84 \n INTEGER, PARAMETER :: ind_G_H2O2 = 85 \n INTEGER, PARAMETER :: ind_G_HNO3 = 86 \n INTEGER, PARAMETER :: ind_G_CO2 = 87 \n INTEGER, PARAMETER :: ind_G_NH3 = 88 \n INTEGER, PARAMETER :: ind_G_O3 = 89 \n INTEGER, PARAMETER :: ind_G_HCOOH = 90 \n INTEGER, PARAMETER :: ind_G_MHP = 91 \n INTEGER, PARAMETER :: ind_G_PAA = 92 \n INTEGER, PARAMETER :: ind_G_HCL = 93 \n INTEGER, PARAMETER :: ind_G_GLY = 94 \n INTEGER, PARAMETER :: ind_G_MGLY = 95 \n INTEGER, PARAMETER :: ind_G_NO2 = 96 \n INTEGER, PARAMETER :: ind_G_HNO4 = 97 \n INTEGER, PARAMETER :: ind_G_NO3 = 98 \n INTEGER, PARAMETER :: ind_G_CH3O2 = 99 \n INTEGER, PARAMETER :: ind_G_SO2 = 100 \n INTEGER, PARAMETER :: ind_G_IEPOX = 101 \n INTEGER, PARAMETER :: ind_L_IETET = 102 \n INTEGER, PARAMETER :: ind_L_IEOS = 103 \n INTEGER, PARAMETER :: ind_L_SO3MIN = 104 \n INTEGER, PARAMETER :: ind_L_GCOL = 105 \n INTEGER, PARAMETER :: ind_L_GLY = 106 \n INTEGER, PARAMETER :: ind_L_HNO3 = 107 \n INTEGER, PARAMETER :: ind_L_NH4OH = 108 \n INTEGER, PARAMETER :: ind_L_NH4PLUS = 109 \n INTEGER, PARAMETER :: ind_L_H2SO4 = 110 \n INTEGER, PARAMETER :: ind_L_HCL = 111 \n INTEGER, PARAMETER :: ind_L_CLMIN = 112 \n INTEGER, PARAMETER :: ind_L_MGLY = 113 \n INTEGER, PARAMETER :: ind_L_CO3MIN2 = 114 \n INTEGER, PARAMETER :: ind_L_HCO3MIN = 115 \n INTEGER, PARAMETER :: ind_L_IEPOX = 116 \n INTEGER, PARAMETER :: ind_L_CH2OHYDP = 117 \n INTEGER, PARAMETER :: ind_L_HMSMINP = 118 \n INTEGER, PARAMETER :: ind_L_HCHOP = 119 \n INTEGER, PARAMETER :: ind_L_CH3O2 = 120 \n INTEGER, PARAMETER :: ind_L_MHP = 121 \n INTEGER, PARAMETER :: ind_L_PAA = 122 \n INTEGER, PARAMETER :: ind_L_SO4MIN = 123 \n INTEGER, PARAMETER :: ind_L_HSO4MIN = 124 \n INTEGER, PARAMETER :: ind_L_H2CO3 = 125 \n INTEGER, PARAMETER :: ind_L_HONO = 126 \n INTEGER, PARAMETER :: ind_L_NO3 = 127 \n INTEGER, PARAMETER :: ind_L_HSO5MIN = 128 \n INTEGER, PARAMETER :: ind_L_OXLAC = 129 \n INTEGER, PARAMETER :: ind_L_NO4MIN = 130 \n INTEGER, PARAMETER :: ind_L_OXLACMIN2 = 131 \n INTEGER, PARAMETER :: ind_L_OXLACMIN = 132 \n INTEGER, PARAMETER :: ind_L_PYRACMIN = 133 \n INTEGER, PARAMETER :: ind_L_PYRAC = 134 \n INTEGER, PARAMETER :: ind_L_CCOOH = 135 \n INTEGER, PARAMETER :: ind_L_CCOOHMIN = 136 \n INTEGER, PARAMETER :: ind_L_GLYAC = 137 \n INTEGER, PARAMETER :: ind_L_HCOOMIN = 138 \n INTEGER, PARAMETER :: ind_L_GCOLAC = 139 \n INTEGER, PARAMETER :: ind_L_GCOLACMIN = 140 \n INTEGER, PARAMETER :: ind_L_GLYACMIN = 141 \n INTEGER, PARAMETER :: ind_L_HCOOH = 142 \n INTEGER, PARAMETER :: ind_L_SO5MIN = 143 \n INTEGER, PARAMETER :: ind_L_HCHO = 144 \n INTEGER, PARAMETER :: ind_L_SO2 = 145 \n INTEGER, PARAMETER :: ind_L_H2O2 = 146 \n INTEGER, PARAMETER :: ind_L_NO3MIN = 147 \n INTEGER, PARAMETER :: ind_L_HMSMIN = 148 \n INTEGER, PARAMETER :: ind_L_CH2OHYD = 149 \n INTEGER, PARAMETER :: ind_L_HNO4 = 150 \n INTEGER, PARAMETER :: ind_L_O2MIN = 151 \n INTEGER, PARAMETER :: ind_L_NO2MIN = 152 \n INTEGER, PARAMETER :: ind_L_OHMIN = 153 \n INTEGER, PARAMETER :: ind_L_SO4MIN2 = 154 \n INTEGER, PARAMETER :: ind_L_HO2 = 155 \n INTEGER, PARAMETER :: ind_L_HPLUS = 156 \n INTEGER, PARAMETER :: ind_L_HSO3MIN = 157 \n INTEGER, PARAMETER :: ind_L_O3 = 158 \n INTEGER, PARAMETER :: ind_L_NO2 = 159 \n INTEGER, PARAMETER :: ind_L_SO3MIN2 = 160 \n INTEGER, PARAMETER :: ind_L_HO = 161 \n\n! Index declaration for fixed species in C\n! C(ind_spc)\n\n INTEGER, PARAMETER :: ind_L_H2O = 162 \n INTEGER, PARAMETER :: ind_G_HO = 163 \n INTEGER, PARAMETER :: ind_L_O2 = 164 \n INTEGER, PARAMETER :: ind_DUMMY = 165 \n\n! Index declaration for dummy species\n\n\n! Index declaration for fixed species in FIX\n! FIX(indf_spc) = C(ind_spc) = C(NVAR+indf_spc)\n\n INTEGER, PARAMETER :: indf_L_H2O = 1 \n INTEGER, PARAMETER :: indf_G_HO = 2 \n INTEGER, PARAMETER :: indf_L_O2 = 3 \n INTEGER, PARAMETER :: indf_DUMMY = 4 \n\nEND MODULE aqchem_Parameters\n\n" }, { "path": "CCTM/src/cloud/acm_ae7_kmt2/aqchem_Precision.F90", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n \n\nMODULE aqchem_Precision\n\n!\n! Definition of different levels of accuracy\n! for REAL variables using KIND parameterization\n!\n! KPP SP - Single precision kind\n INTEGER, PARAMETER :: sp = SELECTED_REAL_KIND(6,30)\n! KPP DP - Double precision kind\n INTEGER, PARAMETER :: dp = SELECTED_REAL_KIND(14,300)\n! KPP QP - Quadruple precision kind\n INTEGER, PARAMETER :: qp = SELECTED_REAL_KIND(18,400)\n\nEND MODULE aqchem_Precision\n\n\n" }, { "path": "CCTM/src/cloud/acm_ae7_kmt2/aqchem_Rates.F90", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n \n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n! \n! The Reaction Rates File\n! \n! Generated by KPP-2.2.3 symbolic chemistry Kinetics PreProcessor\n! (http://www.cs.vt.edu/~asandu/Software/KPP)\n! KPP is distributed under GPL, the general public licence\n! (http://www.gnu.org/copyleft/gpl.html)\n! (C) 1995-1997, V. Damian & A. Sandu, CGRER, Univ. Iowa\n! (C) 1997-2005, A. Sandu, Michigan Tech, Virginia Tech\n! With important contributions from:\n! M. Damian, Villanova University, USA\n! R. Sander, Max-Planck Institute for Chemistry, Mainz, Germany\n! \n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\n\n\nMODULE aqchem_Rates\n\n USE aqchem_Parameters\n USE aqchem_Global\n IMPLICIT NONE\n\nCONTAINS\n\n\n\n! Begin Rate Law Functions from KPP_HOME/util/UserRateLaws\n\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n! User-defined Rate Law functions\n! Note: the default argument type for rate laws, as read from the equations file, is single precision\n! but all the internal calculations are performed in double precision\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\n!~~~> Arrhenius\n REAL(kind=dp) FUNCTION ARR( A0,B0,C0 )\n REAL A0,B0,C0 \n ARR = DBLE(A0) * EXP(-DBLE(B0)/TEMP) * (TEMP/300.0_dp)**DBLE(C0)\n END FUNCTION ARR \n\n!~~~> Simplified Arrhenius, with two arguments\n!~~~> Note: The argument B0 has a changed sign when compared to ARR\n REAL(kind=dp) FUNCTION ARR2( A0,B0 )\n REAL A0,B0 \n ARR2 = DBLE(A0) * EXP( DBLE(B0)/TEMP ) \n END FUNCTION ARR2 \n\n REAL(kind=dp) FUNCTION EP2(A0,C0,A2,C2,A3,C3)\n REAL A0,C0,A2,C2,A3,C3\n REAL(kind=dp) K0,K2,K3 \n K0 = DBLE(A0) * EXP(-DBLE(C0)/TEMP)\n K2 = DBLE(A2) * EXP(-DBLE(C2)/TEMP)\n K3 = DBLE(A3) * EXP(-DBLE(C3)/TEMP)\n K3 = K3*CFACTOR*1.0E6_dp\n EP2 = K0 + K3/(1.0_dp+K3/K2 )\n END FUNCTION EP2\n\n REAL(kind=dp) FUNCTION EP3(A1,C1,A2,C2) \n REAL A1, C1, A2, C2\n REAL(kind=dp) K1, K2 \n K1 = DBLE(A1) * EXP(-DBLE(C1)/TEMP)\n K2 = DBLE(A2) * EXP(-DBLE(C2)/TEMP)\n EP3 = K1 + K2*(1.0E6_dp*CFACTOR)\n END FUNCTION EP3 \n\n REAL(kind=dp) FUNCTION FALL ( A0,B0,C0,A1,B1,C1,CF)\n REAL A0,B0,C0,A1,B1,C1,CF\n REAL(kind=dp) K0, K1 \n K0 = DBLE(A0) * EXP(-DBLE(B0)/TEMP)* (TEMP/300.0_dp)**DBLE(C0)\n K1 = DBLE(A1) * EXP(-DBLE(B1)/TEMP)* (TEMP/300.0_dp)**DBLE(C1)\n K0 = K0*CFACTOR*1.0E6_dp\n K1 = K0/K1\n FALL = (K0/(1.0_dp+K1))* &\n DBLE(CF)**(1.0_dp/(1.0_dp+(LOG10(K1))**2))\n END FUNCTION FALL\n\n !---------------------------------------------------------------------------\n\n ELEMENTAL REAL(kind=dp) FUNCTION k_3rd(temp,cair,k0_300K,n,kinf_300K,m,fc)\n\n INTRINSIC LOG10\n\n REAL(kind=dp), INTENT(IN) :: temp ! temperature [K]\n REAL(kind=dp), INTENT(IN) :: cair ! air concentration [molecules/cm3]\n REAL, INTENT(IN) :: k0_300K ! low pressure limit at 300 K\n REAL, INTENT(IN) :: n ! exponent for low pressure limit\n REAL, INTENT(IN) :: kinf_300K ! high pressure limit at 300 K\n REAL, INTENT(IN) :: m ! exponent for high pressure limit\n REAL, INTENT(IN) :: fc ! broadening factor (usually fc=0.6)\n REAL(kind=dp) :: zt_help, k0_T, kinf_T, k_ratio\n\n zt_help = 300._dp/temp\n k0_T = k0_300K * zt_help**(n) * cair ! k_0 at current T\n kinf_T = kinf_300K * zt_help**(m) ! k_inf at current T\n k_ratio = k0_T/kinf_T\n k_3rd = k0_T/(1._dp+k_ratio)*fc**(1._dp/(1._dp+LOG10(k_ratio)**2))\n\n END FUNCTION k_3rd\n\n !---------------------------------------------------------------------------\n\n ELEMENTAL REAL(kind=dp) FUNCTION k_arr (k_298,tdep,temp)\n ! Arrhenius function\n\n REAL, INTENT(IN) :: k_298 ! k at T = 298.15K\n REAL, INTENT(IN) :: tdep ! temperature dependence\n REAL(kind=dp), INTENT(IN) :: temp ! temperature\n\n INTRINSIC EXP\n\n k_arr = k_298 * EXP(tdep*(1._dp/temp-3.3540E-3_dp)) ! 1/298.15=3.3540e-3\n\n END FUNCTION k_arr\n\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n! End of User-defined Rate Law functions\n!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\n! End Rate Law Functions from KPP_HOME/util/UserRateLaws\n\n\n! Begin INLINED Rate Law Functions\n\n\n REAL( kind=dp )FUNCTION DISF ( KEQ, DH, KB, G1 )\n\n IMPLICIT NONE\n \n REAL( kind=dp ) DH, KEQ, KB\n INTEGER G1\n \n DISF = KB * ( KEQ * EXP( DH * DELINVT ) )\n IF( G1 .eq. 1 ) DISF = DISF * ( GM1 ) \n \n RETURN\n \n END FUNCTION DISF \n \n REAL( kind=dp )FUNCTION DISB ( KB, G1 )\n\n IMPLICIT NONE\n \n REAL( kind=dp ) KB\n INTEGER G1\n \n DISB = KB\n IF( G1 .eq. 1 ) DISB = DISB * GM1 * GM2\n IF( G1 .eq. 2 ) DISB = DISB * GM1 * GM1\n DISB = DISB * PHI2 \n \n RETURN\n \n END FUNCTION DISB\n\n REAL( kind=dp )FUNCTION KRXN ( KR, DH, RTYPE, QY, METAL )\n\n IMPLICIT NONE\n \n REAL( kind=dp ) KR, DH\n REAL( kind=dp ) Q, q1, COTHq, SVIinh\n REAL( kind=dp ) kO31, kO32, kO33, kO3T\n INTEGER QY, RTYPE, METAL\n \n SVIinh = 1.0D0 + 75.0D0 * ((VAR(ind_L_H2SO4) &\n + VAR(ind_L_HSO4MIN) + VAR(ind_L_SO4MIN2)) &\n * PHI2)**0.67D0 !SO4 inhibition of metal catalysis\n\n KRXN = KR * EXP( DH * DELINVT)\n \n IF ( RTYPE .EQ. 1 ) THEN ! SO2 - H2O2 OXIDATION\n KRXN = (KRXN / (1.0D0 + 13.0D0*VAR(ind_L_HPLUS) * PHI2)) * PHI2\n! ELSE IF ( RTYPE .EQ. 2 ) then ! SO2 - PAA OXIDATION\n! KRXN = KRXN * (VAR(ind_L_HPLUS) * PHI2) + 7.00D2 \n ELSE IF ( RTYPE .EQ. 3 ) then ! SO2 - Fe3/Mn2 synergism and \n KRXN = KRXN * PHI2 ! MHP and PAA reaction\n ELSE IF ( RTYPE .EQ. 4 ) then ! only one reactant\n KRXN = KRXN / PHI2 \n END IF\n \n IF (METAL .GT. 0) KRXN = KRXN / SVIinh !SO4 inhibition only for \n !metal-catalyzed oxidation\n\n! Ionic strength impact on SIV-O3 reaction rate \n! IF (QY .GT. 0) THEN\n! KRXN = KRXN * (1.0D0 + 2.5 * STION)\n! END IF \n\n! Aqueous diffusion limitation for O3\n\n q1 = 0.0D0\n Q = 1.0D0\n \n IF( QY .GE. 1 ) THEN \n \n kO31 = 2.4D+4 * EXP( 0.0D0 * DELINVT)\n kO32 = 3.7D+5 * EXP( -5530.88D0 * DELINVT)\n kO33 = 1.5D+9 * EXP( -5280.56D0 * DELINVT)\n kO3T = ( kO31 * VAR( ind_L_SO2 ) + kO32 &\n * VAR( ind_L_HSO3MIN ) &\n + kO33 * VAR( ind_L_SO3MIN2 ) ) * PHI2\n\n IF(kO3T .LT. 0.d0) THEN\n\t q1 = 0.d0\n\t ELSE\t\n q1 = DDIAM / 2.0D0 * SQRT( kO3T / DAQ ) ! diffuso-reactive parameter \n\t END IF\n\n IF ( q1 .GT. 1.0D-3 ) THEN\n IF ( q1 .LE. 100.0D0 ) THEN\n COTHq = ( EXP( 2 * q1 ) + 1 ) / ( EXP( 2 * q1 ) - 1 )\n Q = 3 * ( ( COTHq / q1 ) - ( 1 / ( q1 * q1 ) ) )\n IF ( Q .GT. 1.0D0 ) Q = 1.0D0\n ELSE\n Q = 3.d0/q1\n END IF\n ELSE\n Q = 1.0D0\n END IF\n \n KRXN = KRXN * Q \n \n END IF \n \n KRXN = KRXN * PHI2\n \n RETURN\n \n END FUNCTION KRXN\n \nREAL( kind=dp )FUNCTION KIEPOX ( KH, KHSO4, TYPE )\n\n IMPLICIT NONE\n \n REAL( kind=dp ) KH, KHSO4\n REAL( kind=dp ) K1, K2\n REAL( kind=dp ) KIEPOXT, KMAET\n REAL( kind=dp ) Q, q1, COTHq\n INTEGER TYPE\n \n IF( ISPC8 .LE. 0 ) THEN\n IF( TYPE .GT. 0 ) THEN\n KIEPOX = 0.d0\n RETURN\n END IF\n ELSE\n IF( TYPE .LT. 1 ) THEN\n KIEPOX = 0.d0\n RETURN\n END IF\n END IF\n \n K1 = KH * VAR( ind_L_HPLUS ) * PHI2\n K2 = KHSO4 * VAR( ind_L_HSO4MIN ) * PHI2\n \n KIEPOX = K1 + K2 \n!\n! Aqueous diffusion limitation for IEPOX and MAE\n!\n!\n q1 = 0.0D0\n Q = 1.0D0\n\n IF( TYPE .le. 1 ) THEN ! FOR IEPOX\n\n K1 = 9.0D-4 * VAR( ind_L_HPLUS ) * PHI2\n K2 = 1.31D-5 * VAR( ind_L_HSO4MIN ) * PHI2 \n KIEPOXT = (K1 + K2) * FIX( indf_L_H2O ) * PHI2 ! IEPOX + H2O\n \n K1 = 8.83D-3 * VAR( ind_L_HPLUS ) * PHI2 \n K2 = 2.92D-6 * VAR( ind_L_HSO4MIN ) * PHI2 \n KIEPOXT = KIEPOXT + (K1 + K2) * VAR( ind_L_SO4MIN2 ) &\n * PHI2 ! IEPOX + SO4\n \n K1 = 2.0D-4 * VAR( ind_L_HPLUS ) * PHI2\n K2 = 2.92D-6 * VAR( ind_L_HSO4MIN ) * PHI2 \n \n IF( ISPC8 .LE. 0 ) THEN\n KIEPOXT = KIEPOXT + (K1 + K2) * VAR( ind_L_NO3MIN ) * PHI2 \n ELSE\n KIEPOXT = KIEPOXT + (K1 + K2) * VAR( ind_L_IETET ) &\n * PHI2 ! IEPOX + IETET\n KIEPOXT = KIEPOXT + (K1 + K2) * VAR( ind_L_IEOS ) &\n * PHI2 ! IEPOX + IEOS\n ENDIF\n\t \n\t IF(KIEPOXT .LT. 0.d0) THEN\n\t q1 = 0.d0\n\t ELSE\t\n q1 = DDIAM/2.0D0 * SQRT( KIEPOXT / DAQ ) ! diffuso-reactive parameter \n\t END IF\n \n IF ( q1 .GT. 1.0D-3 ) THEN\n IF ( q1 .LE. 100.0D0 ) THEN\n COTHq = ( EXP( 2 * q1 ) + 1 ) / ( EXP( 2 * q1 ) - 1 )\n Q = 3 * ( ( COTHq / q1 ) - ( 1 / ( q1 * q1 ) ) )\n IF ( Q .GT. 1.0D0 ) Q = 1.0D0\n ELSE\n Q = 3.d0/q1\n END IF\n ELSE\n Q = 1.0D0\n END IF \n \n ELSE ! FOR MAE OR HMML\n\n K1 = 9.0D-4 * VAR( ind_L_HPLUS ) * PHI2\n K2 = 1.31D-5 * VAR( ind_L_HSO4MIN ) * PHI2 \n KMAET = (K1 + K2) * FIX( indf_L_H2O ) &\n * PHI2 ! MAE/HMML + H2O\n \n K1 = 2.0D-4 * VAR( ind_L_HPLUS ) * PHI2\n K2 = 2.92D-6 * VAR( ind_L_HSO4MIN ) * PHI2 \n KMAET = KMAET + (K1 + K2) * VAR( ind_L_SO4MIN2 ) &\n * PHI2 ! MAE/HMML + SO4\n\t \n\t IF(KMAET .LT. 0.d0) THEN\n\t q1 = 0.d0\n\t ELSE\t\n q1 = DDIAM/2.0D0 * SQRT( KMAET / DAQ ) ! diffuso-reactive parameter \n\t END IF\n\n IF ( q1 .GT. 1.0D-3 ) THEN\n IF ( q1 .LE. 100.0D0 ) THEN\n COTHq = ( EXP( 2 * q1 ) + 1 ) / ( EXP( 2 * q1 ) - 1 )\n Q = 3 * ( ( COTHq / q1 ) - ( 1 / ( q1 * q1 ) ) )\n IF ( Q .GT. 1.0D0 ) Q = 1.0D0\n ELSE\n Q = 3.d0/q1\n END IF\n ELSE\n Q = 1.0D0\n END IF \n END IF\n \n KIEPOX = KIEPOX * Q \n \n KIEPOX = KIEPOX * PHI2 \n \n RETURN\n \nEND FUNCTION KIEPOX \n\n\n! End INLINED Rate Law Functions\n\n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n! \n! Update_SUN - update SUN light using TIME\n! Arguments :\n! \n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\n SUBROUTINE Update_SUN()\n !USE aqchem_Parameters\n !USE aqchem_Global\n\n IMPLICIT NONE\n\n REAL(kind=dp) :: SunRise, SunSet\n REAL(kind=dp) :: Thour, Tlocal, Ttmp \n ! PI - Value of pi\n REAL(kind=dp), PARAMETER :: PI = 3.14159265358979d0\n \n SunRise = 4.5_dp \n SunSet = 19.5_dp \n Thour = TIME/3600.0_dp \n Tlocal = Thour - (INT(Thour)/24)*24\n\n IF ((Tlocal>=SunRise).AND.(Tlocal<=SunSet)) THEN\n Ttmp = (2.0*Tlocal-SunRise-SunSet)/(SunSet-SunRise)\n IF (Ttmp.GT.0) THEN\n Ttmp = Ttmp*Ttmp\n ELSE\n Ttmp = -Ttmp*Ttmp\n END IF\n SUN = ( 1.0_dp + COS(PI*Ttmp) )/2.0_dp \n ELSE\n SUN = 0.0_dp \n END IF\n\n END SUBROUTINE Update_SUN\n\n! End of Update_SUN function\n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\n\n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n! \n! Update_RCONST - function to update rate constants\n! Arguments :\n! \n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\nSUBROUTINE Update_RCONST ( )\n\n\n\n\n! Begin INLINED RCONST\n\n\n STION = 0.5D0 &\n * ( VAR( ind_L_HPLUS ) + VAR( ind_L_NH4PLUS ) &\n + VAR( ind_L_OHMIN ) &\n + VAR( ind_L_HCO3MIN ) + VAR( ind_L_O2MIN ) &\n + VAR( ind_L_NO2MIN ) &\n + VAR( ind_L_NO4MIN ) + VAR( ind_L_GLYACMIN ) &\n + VAR( ind_L_OXLACMIN ) &\n + VAR( ind_L_PYRACMIN ) + VAR( ind_L_GCOLACMIN ) &\n + VAR( ind_L_CCOOHMIN ) &\n + VAR( ind_L_HSO3MIN ) + VAR( ind_L_HCOOMIN ) &\n + VAR( ind_L_NO3MIN ) &\n + VAR( ind_L_HSO4MIN ) + VAR( IND_L_HMSMIN) &\n + VAR( ind_L_NAPLUS ) + VAR( ind_L_KPLUS ) + VAR( ind_L_CLMIN ) &\n + VAR( ind_L_SO4MIN ) + VAR( ind_L_SO3MIN ) + &\n + VAR( ind_L_HMSMIN ) + VAR( ind_L_SO5MIN ) + &\n + VAR( ind_L_HSO5MIN ) + VAR( ind_L_CO2MIN ) + &\n + 3.0D0 * VAR( ind_L_FEPLUS3 ) + 2.0D0 * VAR( ind_L_MNPLUS2 ) &\n + 4.0D0 * ( VAR( ind_L_SO4MIN2 ) + VAR( ind_L_CO3MIN2 ) &\n + VAR( ind_L_OXLACMIN2 ) &\n + VAR( ind_L_SO3MIN2 ) + VAR( ind_L_MNPLUS2 ) &\n + VAR( ind_L_CAPLUS2 ) &\n + VAR( ind_L_MGPLUS2 ) ) &\n + 9.0D0 * VAR( ind_L_FEPLUS3 ) ) * PHI2 !includes anions for \n !Fe3+ and Mn2+ \n \n GM1LOG = -0.509D0 * ( SQRT( STION ) &\n / ( 1.0D0 + SQRT( STION ) ) - 0.2D0 * STION )\n GM2LOG = GM1LOG * 4.0D0\n GM1 = 10.0D0**GM1LOG\n GM2 = MAX( 10.0D0**GM2LOG, 1.0d-30 ) \n\n\n! End INLINED RCONST\n\n RCONST(41) = ((DISF(1.39D-02,1.87D+03,2.0D8,0)))\n RCONST(42) = ((DISF(6.72D-08,3.55D+02,5.0D10,1)))\n RCONST(43) = ((DISF(1.7D+01,0.0D0,5.0D10,0)))\n RCONST(44) = ((DISF(4.30D-07,-9.95D+02,6.4D4,0)))\n RCONST(45) = ((DISF(4.68D-11,-1.785D+03,5.0D10,1)))\n RCONST(46) = ((DISF(1.77D-5,-7.10D+02,3.4D10,0)))\n RCONST(47) = ((DISF(1.80D-4,-2.00D+01,5.0D10,0)))\n RCONST(48) = ((DISF(1.74D+06,6.89D+03,5.0D10,0)))\n RCONST(49) = ((DISF(1.80D-16,-6.955D+03,1.4D11,0)))\n RCONST(50) = ((DISF(1000.0D0,0.0D0,5.0D10,0)))\n RCONST(51) = ((DISF(1.02D-2,2.445D+03,1.0D11,1)))\n RCONST(52) = ((DISF(1.6D-5,0.0D0,5.0D10,0)))\n RCONST(53) = ((DISF(5.3D-4,-1760.D0,5.0D10,0)))\n RCONST(54) = ((DISF(1.0D-5,0.D0,5.0D10,0)))\n RCONST(55) = ((DISB(2.0D8,2)))\n RCONST(56) = ((DISB(5.0D10,1)))\n RCONST(57) = ((DISB(5.0D10,2)))\n RCONST(58) = ((DISB(6.4D4,2)))\n RCONST(59) = ((DISB(5.0D10,1)))\n RCONST(60) = ((DISB(3.4D10,2)))\n RCONST(61) = ((DISB(5.0D10,2)))\n RCONST(62) = ((DISB(5.0D10,2)))\n RCONST(63) = ((DISB(1.4D11,2)))\n RCONST(64) = ((DISB(5.0D10,2)))\n RCONST(65) = ((DISB(1.0D11,1)))\n RCONST(66) = ((DISB(5.0D10,2)))\n RCONST(67) = ((DISB(5.0D10,2)))\n RCONST(68) = ((DISB(5.0D10,2)))\n RCONST(69) = ((KRXN(7.45D+7,-4756.08D0,1,0,0)))\n RCONST(70) = ((KRXN(2.4D+4,0.0D0,0,1,0)))\n RCONST(71) = ((KRXN(3.7D+5,-5530.88D0,0,2,0)))\n RCONST(72) = ((KRXN(1.5D+9,-5280.56D0,0,3,0)))\n RCONST(73) = ((KRXN(750.D0,0.0D0,0,0,1)))\n RCONST(74) = ((KRXN(750.D0,0.0D0,0,0,1)))\n RCONST(75) = ((KRXN(750.D0,0.0D0,0,0,1)))\n RCONST(76) = ((KRXN(2600.D0,0.0D0,0,0,1)))\n RCONST(77) = ((KRXN(2600.D0,0.0D0,0,0,1)))\n RCONST(78) = ((KRXN(2600.D0,0.0D0,0,0,1)))\n RCONST(79) = ((KRXN(1.0D10,0.0D0,3,0,1)))\n RCONST(80) = ((KRXN(1.0D10,0.0D0,3,0,1)))\n RCONST(81) = ((KRXN(1.0D10,0.0D0,3,0,1)))\n RCONST(82) = ((KRXN(1.90D+07,-3799.5D0,3,0,0)))\n RCONST(83) = ((KRXN(3.60D+07,-3999.2D0,3,0,0)))\n RCONST(84) = ((KRXN(7.0D+02,0.0D0,0,0,0)))\n RCONST(85) = ((KRXN(8.3D5,-2700.D0,0,0,0)))\n RCONST(86) = ((KRXN(9.6D7,-910.D0,0,0,0)))\n RCONST(87) = ((KRXN(1.5D9,-1500.D0,0,0,0)))\n RCONST(88) = ((KRXN(2.0D6,0.D0,0,0,0)))\n RCONST(89) = ((KRXN(2.0D6,0.D0,0,0,0)))\n RCONST(90) = ((KRXN(2.0D6,0.D0,0,0,0)))\n RCONST(91) = ((KRXN(3.3D5,0.D0,0,0,0)))\n RCONST(93) = ((KRXN(5.D5,-7000.D0,0,0,0)))\n RCONST(94) = ((KRXN(1.D10,0.D0,0,0,0)))\n RCONST(95) = ((KRXN(1.D10,0.D0,0,0,0)))\n RCONST(147) = ((KIEPOX(9.0D-4,1.31D-5,1)))\n RCONST(148) = ((KIEPOX(8.83D-3,2.92D-6,1)))\n RCONST(149) = ((KIEPOX(2.0D-4,2.92D-6,1)))\n RCONST(150) = ((KIEPOX(2.0D-4,2.92D-6,1)))\n RCONST(151) = ((KIEPOX(9.0D-4,1.31D-5,0)))\n RCONST(152) = ((KIEPOX(8.83D-3,2.92D-6,0)))\n RCONST(153) = ((KIEPOX(2.0D-4,2.92D-6,0)))\n RCONST(154) = ((KIEPOX(9.0D-4,1.31D-5,2)))\n RCONST(155) = ((KIEPOX(2.0D-4,2.92D-6,2)))\n RCONST(156) = ((KIEPOX(9.0D-4,1.31D-5,2)))\n RCONST(157) = ((KIEPOX(2.0D-4,2.92D-6,2)))\n RCONST(177) = ((DISF(3.47D-4,-2.67D+2,2.D+10,0)))\n RCONST(178) = ((DISF(5.6D-2,-4.53D+2,5.D+10,0)))\n RCONST(179) = ((DISF(5.42D-5,-8.05D+2,5.D+10,1)))\n RCONST(180) = ((DISF(3.2D-3,0.d0,2.D+10,0)))\n RCONST(181) = ((DISF(1.48D-4,-8.05D+1,2.D+10,0)))\n RCONST(182) = ((DISF(1.75D-5,4.6D+1,5.D+10,0)))\n RCONST(183) = ((DISB(2.D10,2)))\n RCONST(184) = ((DISB(5.D10,2)))\n RCONST(185) = ((DISB(5.D10,1)))\n RCONST(186) = ((DISB(2.D10,2)))\n RCONST(187) = ((DISB(2.D10,2)))\n RCONST(188) = ((DISB(5.D10,2)))\n RCONST(194) = ((KRXN(5.0D+8,0.D0,0,0,0)))\n RCONST(195) = ((KRXN(1.0D+9,0.D0,0,0,0)))\n RCONST(196) = ((KRXN(6.0D+8,0.D0,0,0,0)))\n RCONST(197) = ((KRXN(8.6D+8,0.D0,0,0,0)))\n RCONST(198) = ((KRXN(1.1D+9,-1516.D0,0,0,0)))\n RCONST(199) = ((KRXN(1.5D+8,0.D0,0,0,0)))\n RCONST(200) = ((KRXN(1.2D+9,0.D0,0,0,0)))\n RCONST(201) = ((KRXN(1.4D+6,0.D0,0,0,0)))\n RCONST(202) = ((KRXN(4.7D+7,0.D0,0,0,0)))\n RCONST(203) = ((KRXN(7.7D+6,0.D0,0,0,0)))\n RCONST(204) = ((KRXN(7.0D+8,0.D0,0,0,0)))\n RCONST(205) = ((KRXN(6.0D+7,0.D0,0,0,0)))\n RCONST(206) = ((KRXN(6.0D+7,0.D0,0,0,0)))\n RCONST(207) = ((KRXN(1.6D+7,0.D0,0,0,0)))\n RCONST(208) = ((KRXN(8.5D+7,0.D0,0,0,0)))\n RCONST(209) = ((KRXN(1.1D+9,-1020.D0,0,0,0)))\n RCONST(210) = ((KRXN(1.2D+8,-990.D0,0,0,0)))\n RCONST(211) = ((KRXN(1.1D+9,-1020.D0,0,0,0)))\n RCONST(233) = ((KRXN(3.6D+9,-930.D0,0,0,0)))\n RCONST(234) = ((KRXN(2.8D+10,0.D0,0,0,0)))\n RCONST(235) = ((KRXN(3.5D+10,-720.D0,0,0,0)))\n RCONST(236) = ((KRXN(3.2D+7,-1700.D0,0,0,0)))\n RCONST(237) = ((KRXN(2.7D+9,0.D0,0,0,0)))\n RCONST(238) = ((KRXN(1.8D+9,0.D0,0,0,0)))\n RCONST(239) = ((KRXN(4.5D+9,0.D0,0,0,0)))\n RCONST(240) = ((KRXN(2.6D-2,0.D0,4,0,0)))\n RCONST(241) = ((KRXN(1.0D+5,0.D0,0,0,0)))\n RCONST(242) = ((KRXN(1.3D+9,-2200.D0,0,0,0)))\n RCONST(243) = ((KRXN(1.1D+9,0.D0,0,0,0)))\n RCONST(244) = ((KRXN(1.7D+9,0.D0,0,0,0)))\n RCONST(245) = ((KRXN(2.2D+8,-2600.D0,0,0,0)))\n RCONST(246) = ((KRXN(7.1D+6,0.D0,3,0,0)))\n RCONST(247) = ((KRXN(4.6D+2,-1100.D0,0,0,0)))\n RCONST(248) = ((KRXN(1.7D+8,-2200.D0,0,0,0)))\n RCONST(249) = ((KRXN(5.0D+5,0.D0,0,0,0)))\n RCONST(250) = ((KRXN(3.4D+9,-1200.D0,0,0,0)))\n RCONST(251) = ((KRXN(7.9D+2,-2900.D0,0,0,0)))\n RCONST(252) = ((KRXN(2.5D+7,-2450.D0,0,0,0)))\n RCONST(253) = ((KRXN(7.7D-3,-9200.D0,4,0,0)))\n RCONST(254) = ((KRXN(3.7D3,0.D0,0,0,0)))\n RCONST(255) = ((KRXN(3.0D8,0.D0,0,0,0)))\n RCONST(256) = ((KRXN(7.9D+2,-2900.D0,0,0,0)))\n RCONST(257) = ((KRXN(2.5D+7,-2450.D0,0,0,0)))\n RCONST(258) = ((KRXN(7.7D-3,-9200.D0,4,0,0)))\n RCONST(259) = ((KRXN(3.7D3,0.D0,0,0,0)))\n RCONST(260) = ((KRXN(3.0D8,0.D0,0,0,0)))\n \nEND SUBROUTINE Update_RCONST\n\n! End of Update_RCONST function\n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\n\n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n! \n! Update_PHOTO - function to update photolytical rate constants\n! Arguments :\n! \n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\nSUBROUTINE Update_PHOTO ( )\n\n\n USE aqchem_Global\n\n \nEND SUBROUTINE Update_PHOTO\n\n! End of Update_PHOTO function\n! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\n\n\nEND MODULE aqchem_Rates\n\n" }, { "path": "CCTM/src/cloud/acm_ae7_kmt2/aqchem_kmt.F90", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n!:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE AQCHEM ( JDATE, JTIME, TEMP2, PRES_PA, TAUCLD, PRCRATE, &\n WCAVG, WTAVG, AIRM, ALFA0, ALFA2, ALFA3, GAS, &\n AEROSOL, GASWDEP, AERWDEP, HPWDEP, BETASO4, COSZEN, &\n FRACTR, FRACPOA, FRACPRI, FRACSOA ) \n!-----------------------------------------------------------------------\n! Description:\n! Compute concentration changes in cloud due to aqueous chemistry,\n! scavenging and wet deposition amounts. This is the \"KMT\" version\n! of AQCHEM, which includes the treatment of kinetic mass transfer \n! between the gas and aqueous phases and the implementation of the \n! RODAS3 solver to simultaneously integrate phase transfer, scavenging, \n! deposition, dissociation, and chemical kinetic processes. \n! The additional subroutines of \"AQCHEM-KMT\" used in the integration of \n! the system of aqueous ODEs were generated using the Kinetic \n! PreProcessor, version 2.2.3 (Damian et al., 2002).\n!\n! Revision History:\n! No Date Who What\n! -- -------- --- -----------------------------------------\n! 0 / /86 CW BEGIN PROGRAM - Walceks's Original Code\n! 1 / /86 RB INCORPORATE INTO RADM\n! 2 03/23/87 DH REFORMAT\n! 3 04/11/88 SJR STREAMLINED CODE - ADDED COMMENTS\n! 4 08/27/88 SJR COMMENTS, MODIFIED FOR RPM\n! 4a 03/15/96 FSB Scanned hard copy to develop Models3\n! Version.\n! 5 04/24/96 FSB Made into Models3 Format\n! 6 02/18/97 SJR Revisions to link with Models3\n! 7 08/12/97 SJR Revised for new concentration units (moles/mole)\n! and new treatment of nitrate and nitric acid\n! 8 01/15/98 sjr revised to add new aitken mode scavenging\n! and aerosol number scavenging\n! 9 12/15/98 David Wong at LM:\n! -- change division of XL, TEMP to multiplication of XL, TEMP\n! reciprocal, respectively\n! -- change / TOTOX / TSIV to / ( TOTOX * TSIV )\n! 10 03/18/99 David Wong at LM:\n! -- removed \"* 1.0\" redundant calculation at TEMP1 calculation\n! 11 04/27/00 sjr Added aerosol surface area as modeled species\n! 12 12/02 sjr changed calls to HLCONST and updated the dissociation\n! constants\n! 13 06/26/03 sjr revised calculations of DTW based on CMAS website\n! discussions\n! 14 08/05/03 sjr revision made to the coarse aerosol number washout\n! 15 04/20/05 us revisions to add sea salt species in the fine and\n! coarse aerosol modes, and HCl dissolution/dissociation\n! 16 10/13/05 sjr fixed bug in the integration time step calculation\n! (reported by Bonyoung Koo)\n! 17 03/01/06 sjr added elemental carbon aerosol; organic aerosols\n! replaced with primary, secondary biogenic, and\n! secondary anthropogenic; fixed 3rd moment calc to\n! include EC and primary organics (not secondary);\n! re-arranged logic for setting Cl & Na ending conc;\n! added pointers/indirect addressing for arrays WETDEP\n! and LIQUID\n! 16 03/30/07 sjr Limit integration timestep by cloud washout time\n! 17 04/10/07 sjr increased loop limits as follows: I20C <10000,\n! I7777C <10000, I30C <10000, ICNTAQ <60000\n! 18 01/10/07 agc added organic chemistry for GLY and MGLY oxidation\n! 19 09/10/07 sln updated SOA species list for AE5\n! 20 01/29/08 agc updated DOHDT calculation\n! 21 04/14/08 jtk added coding for coarse NH4 and scavenging of\n! coarse surface area\n! 22 05/20/08 agc for CB05, use the Henry's Law constant for glyoxal\n! as a surrogate for methyl glyoxal\n! 23 04/15/09 sjr& Several changes made to improve mass conservation in the\n! agc solver. (1) OH concentration is now considered to be\n! steady state; (2) only allow sulfur oxidation to affect\n! time step; (3) implemented mass conservation checks -\n! limit oxidation rates by the available mass for the\n! specified timestep.\n! 10 Oct 10 J.Young: update to use aero_reeng by Steve Howard, Prakash Bhave,\n! Jeff Young, Sergey Napelenok, and Shawn Roselle\n! 01 Mar 11 S.Roselle: replaced I/O API include files with UTILIO_DEFN\n! 9 Mar 11 S.Napelenok: update for AE6 - pH calculation now expanded to \n! include Ca Mg K SOIL CORS SEAS\n! 23 May 11 G.Sarwar: update S(VI) production rate via H2O2, O3, MHP, PAA \n! pathways (Jacobson 1997)\n! 23 May 11 G.Sarwar: update S(VI) production rate via O2 pathway (metal \n! catalysis) (Martin and Goodman, 1991)\n! 01 Jul 11 G.Sarwar: Incorporate day and night dependent Fe III oxidation\n! state (Alexander et al., 2009)\n! 12 Aug 11 G.Sarwar: Revise Fe and Mn solubility based on \n! Alexander et al., 2009\n! 8 Mar 12 J.Bash: FE_OX and MN_OX were calculated from FE and MN before\n! a floor value of 0.0 was established for these \n! concentrations sometimes resulting in negative \n! concentrations and model crashes. The code used to \n! estimate FE_OX and MN_OX was moved to be after a floor \n! value for FE and MN was set. Also the washout rate was\n! removed from the calculation of the estimate for doubling\n! the time step based on sulfur oxidized < 5%.\n! 28 Nov 12 G.Sarwar: Sulfate inhibition effect is implemented in the metal catalysis pathway\n! 04 Mar 14 K. Fahey: Used the Kinetic PreProcessor to generate the RODAS3 solver\n! for the CMAQ aqueous phase chemistry mechanism (Damian et al., 2002). \n! Aitken scavenging, mass transfer between the phases, dissociation, \n! chemical kinetics, and wet deposition are solved dynamically \n! and simultaneously. The mass transfer between the phases is\n! based on the resistance model of Schwartz (Schwartz, 1986). The SIV-O3\n! oxidation reaction has been corrected for potential aqueous \n! diffusion limitations.\n! 07 Jul 14 B.Hutzell: replaced mechanism include file(s) with fortran module\n! 15 Jul 14 K. Fahey: Added IEPOX/MAE SOA chemistry based on Pye et al., 2013\n! 31 Mar 16 K. Fahey: Replaced yield-based SOA parameterization from GLY/MGLY + OH with the SOA \n! chemistry scheme provided by Neha Sareen and Annmarie Carlton (based on \n! Lim et al., 2005)\n! 03 May 16 K.Fahey: Reinstated usage of HLCONST function to calculate Henry's law\n! coefficients (rather than calculating in mass transfer coefficient \n! function) [changes in aqchem_kmt, aqchem_Initialize, aqchem_Global]; \n! updated to use AERO_DATA constants in calculation of coarse cations \n! following J. Young updates in AQCHEM.F [changes in aqchem_kmt, \n! aqchem_Initialize]\n! 26 May 16 K.Fahey: Added Hg/toxic tracers to be consistent with AQCHEM.F updates\n! 31 Aug 17 K.Fahey: Incorporated additional reactions for S, N, O-H, and C species \n! (Leriche et al., 2013; Lim et al., 2005; Ervens et al., 2003) \n!\n! References:\n! Walcek & Taylor, 1986, A theoretical Method for computing\n! vertical distributions of acidity and sulfate within cumulus\n! clouds, J. Atmos Sci., Vol. 43, no. 4 pp 339 - 355\n! Carlton, A.G., B.J. Turpin, K.E. Altieri, S.P. Seitzinger, R. Mathur,\n! S.J. Roselle, and R.J. Weber, CMAQ Model Performance Enhanced When\n! In-Cloud Secondary Organic Aerosol is Included: Comparison of Organic\n! Carbon Predictions with Measurements, Environ. Sci. Technol., 42(23),\n! 8798-8802, 2008.\n! Jacobson, M., Development and application of a new air pollution modeling \n! system II. Aerosol module structure and design, Atmospheric \n! Environment, 31, 131-144, 1997\n! Martin, R.L. and T.W. Good, catalyzed oxidation of sulfur dioxide in \n! solution: the iron-manganese synergism, Atmospheric Environment, 25A, \n! 2395-2399, 1991\n! Alexander, B., R.J. Park, D.J. Jacob, S. Gong, Transition metal-catalyzed \n! oxidation of atmospheric sulfur: global implications for the sulfur\n! budget, GRL, 114, D02309, 2009\n! Damian, V., A. Sandu, M. Damian, F. Potra, and G.R. Carmichael, The Kinetic \n! PreProcessor KPP -- A Software Environment for Solving Chemical Kinetics,\n! Computers and Chemical Engineering, 26(11), 1567-1579, 2002.\n! Schwartz, S.E., Mass transport considerations pertinent to aqueous-phase\n! reactions of gases in liquid water clouds. In Chemistry of multiphase\n! atmospheric systems, NATO ASI Series, G6, 415-471, 1986. \n! Leriche, M., J.-P. Pinty, C. Mari, and D. Gazen, A cloud chemistry module for\n! the 3-D cloud-resolving mesoscale model Meso-NH with application to idealized\n! cases, Geosci. Model Dev., 6, 1275-1298, 2013\n! Lim, H.-J., A.G. Carlton, and B.J. Turpin, Isoprene forms secondary organic\n! aerosol through cloud processing: model simulations, Environ. Sci. Technol.,\n! 39, 4441-4446, 2005\n! Ervens,B., C. George, J.E. Williams, G.V. Buxton, G.A. Salmon, M. Bydder, \n! F. Wilkinson, F. Dentener, P. Mirabel, and H. Herrmann, CAPRAM 2.4 (MODAC \n! mechanism): An extended and condensed tropospheric aqueous phase mechanism \n! and its application, J. Geophys. Res., 108 (D14), 4426, 2003 \n!\n! Called by: AQMAP\n!\n! Calls the following subroutines: Initialize, Update_RCONST, INTEGRATE\n!\n! Calls the following functions: none\n!-----------------------------------------------------------------------\n\n USE RXNS_DATA ! chemical mechanism data\n USE AQ_DATA\n USE AERO_DATA\n USE UTILIO_DEFN\n \n USE aqchem_Model\n USE aqchem_Initialize, ONLY: Initialize \n\n IMPLICIT NONE\n\n CHARACTER( 120 ) :: XMSG = ' ' ! Exit status message\n\n!..........Parameters:\n\n!...........Arguments:\n\n INTEGER, INTENT( IN ) :: JDATE ! current model date, coded YYYYDDD\n INTEGER, INTENT( IN ) :: JTIME ! current model time, coded HHMMSS\n\n REAL, INTENT( IN ) :: AIRM ! total air mass in cloudy layers (mol/m2)\n REAL, INTENT( IN ) :: ALFA0 ! scav coef for aitken aerosol number\n REAL, INTENT( IN ) :: ALFA2 ! scav coef for aitken aerosol sfc area\n REAL, INTENT( IN ) :: ALFA3 ! scav coef for aitken aerosol mass\n REAL, INTENT( OUT ) :: HPWDEP ! hydrogen wet deposition (mm mol/liter)\n REAL( 8 ), INTENT( OUT ) :: BETASO4 \n REAL, INTENT( IN ) :: PRCRATE ! precip rate (mm/hr)\n REAL, INTENT( IN ) :: PRES_PA ! pressure (Pa)\n REAL, INTENT( IN ) :: TAUCLD ! timestep for cloud (s)\n REAL, INTENT( IN ) :: TEMP2 ! temperature (K)\n REAL, INTENT( IN ) :: WCAVG ! liquid water content (kg/m3)\n REAL, INTENT( IN ) :: WTAVG ! total water content (kg/m3)\n \n REAL, INTENT( IN ) :: COSZEN ! Cosine solar zenith angle \n \n! LOGICAL, INTENT( IN ) :: DARK ! DARK = TRUE is night, DARK = FALSE is day\n\n REAL( 8 ), INTENT( INOUT ) :: GAS ( : ) ! gas phase concentrations (mol/molV)\n REAL( 8 ), INTENT( INOUT ) :: AEROSOL( :, : ) ! aerosol concentrations (mol/molV)\n REAL( 8 ), INTENT( INOUT ) :: GASWDEP( : ) ! gas phase wet deposition array (mm mol/liter)\n REAL( 8 ), INTENT( INOUT ) :: AERWDEP( :, : ) ! aerosol wet deposition array (mm mol/liter)\n \n REAL( 8 ), INTENT( OUT ) :: FRACTR ! Fraction of J mode tracer scavenged from I mode \n REAL( 8 ), INTENT( OUT ) :: FRACPOA ! Fraction of J mode poa scavenged from I mode \n REAL( 8 ), INTENT( OUT ) :: FRACPRI ! Fraction of J mode pri scavenged from I mode\n REAL( 8 ), INTENT( OUT ) :: FRACSOA ! Fraction of J mode soa scavenged from I mode \n \n REAL( 8 ), SAVE :: SOIL_FE_FAC ! Fe molar fraction of ASOIL\n REAL( 8 ), SAVE :: CORS_FE_FAC ! Fe molar fraction of ACORS\n REAL( 8 ), SAVE :: SOIL_MN_FAC ! Mn molar fraction of ASOIL\n REAL( 8 ), SAVE :: CORS_MN_FAC ! Fe molar fraction of ACORS\n REAL( 8 ), SAVE :: SEAS_NA_FAC ! Na molar fraction of ASEACAT\n REAL( 8 ), SAVE :: SOIL_NA_FAC ! Fe molar fraction of ASOIL\n REAL( 8 ), SAVE :: CORS_NA_FAC ! Fe molar fraction of ACORS\n REAL( 8 ), SAVE :: SEAS_MG_FAC ! Na molar fraction of ASEACAT\n REAL( 8 ), SAVE :: SOIL_MG_FAC ! Fe molar fraction of ASOIL\n REAL( 8 ), SAVE :: CORS_MG_FAC ! Fe molar fraction of ACORS\n REAL( 8 ), SAVE :: SEAS_CA_FAC ! Na molar fraction of ASEACAT\n REAL( 8 ), SAVE :: SOIL_CA_FAC ! Fe molar fraction of ASOIL\n REAL( 8 ), SAVE :: CORS_CA_FAC ! Fe molar fraction of ACORS\n REAL( 8 ), SAVE :: SEAS_K_FAC ! Na molar fraction of ASEACAT\n REAL( 8 ), SAVE :: SOIL_K_FAC ! Fe molar fraction of ASOIL\n REAL( 8 ), SAVE :: CORS_K_FAC ! Fe molar fraction of ACORS \n\n!...........Local Variables (scalars):\n\n LOGICAL, SAVE :: FIRSTIME = .TRUE. ! flag for first pass thru\n LOGICAL, SAVE :: AEI = .TRUE. ! flag for AE6I and AE7I mechanisms\n LOGICAL, SAVE :: STIC = .FALSE. ! flag for SAPRC07TIC mechanisms\n \n LOGICAL :: DARK ! DARK = TRUE is night, DARK = FALSE is day\n\n CHARACTER( 16 ), SAVE :: PNAME = 'AQCHEM' ! Driver program name\n CHARACTER( 16 ), SAVE :: MGLYSUR = 'METHYL_GLYOXAL ' ! Henry's law surrogate for MGLY\n \n REAL( 8 ) :: CTHK1 ! Cloud thickness (m)\n REAL( 8 ) :: ONE_OVER_TEMP ! 1 / Temperature (1/K)\n REAL( 8 ) :: WFACTOR ! Convert dyn wet dep values to mm mol / L \n REAL( 8 ) :: INVCFAC ! Conversion: molec/cm3 air --> mol/mol\n REAL( 8 ) :: DEPSUM ! SO4 deposition, used to calculate SO4 scav coefficient\n REAL( 8 ) :: EXPWET ! EXP( -WETFAC_KPP * TAUCLD )\n \n REAL( 8 ) :: TOTNIT, TOTAMM, TOTCL ! Total nitrate, ammonium, and chloride (excluding coarse mode)\n REAL( 8 ) :: FNH3, FNH4ACC ! Initial fraction NH3 gas of TOTAMM, fraction acc mode of aerosol NH4\n REAL( 8 ) :: FHNO3, FNO3ACC ! Initial fraction HNO3 gas of TOTNIT, fraction acc mode of aerosol NO3\n REAL( 8 ) :: FHCL, FCLACC ! Initial fraction HCl gas of TOTCL, fraction acc mode of aerosol CL\n \n REAL( 8 ) :: NACOR, CACOR, MGCOR, KCOR, FECOR, MNCOR ! Coarse crustal cation concentrations\n REAL( 8 ) :: WDNACOR, WDCACOR, WDMGCOR, WDKCOR, WDFECOR, WDMNCOR ! Coarse crustal cation wet deposition\n REAL( 8 ) :: WDPYRAC, APYRAC ! Pyruvic acid deposited and evaporated as aerosol species (gas mech dependent) \n \n REAL( 8 ) :: STARTM(4), ENDM(4), MBAL(4)\n \n REAL( 8 ) :: OLIGGLY, OLIGMGLY ! If considering oligomerization, fraction of GLY/MGLY that remains in aerosol \n ! upon droplet evaporation\n\t\t\t\t\t\t\t \n REAL( 8 ) :: POAIinit, PRIIinit, TRACIinit, POAJinit, SOAIinit \n\n REAL(kind=dp) :: T, DVAL(NSPEC) ! KPP integrator variables\n REAL(kind=dp) :: RSTATE(20) ! KPP integrator variables\n\n INTEGER :: I, IGAS, IAER, IMOD, count, J, OLIG\n\n!...........External Functions:\n\n REAL, EXTERNAL :: HLCONST\n\n!*********************************************************************\n\n!...Initialization\n\n IF ( FIRSTIME ) THEN\n\n FIRSTIME = .FALSE.\n\n!...Is an AE6I or AE7I version of the mechanism is being used? \n!...This will include IETET, IMGA, etc. (rather than ISO3) and the IEPOX, \n!...IMAE, etc., precursors (rather than just EPOX)\n\n IF ( ( INDEX ( MECHNAME, 'AE6I' ) .LE. 0 ) .AND. &\n ( INDEX ( MECHNAME, 'AE7I' ) .LE. 0 ) ) THEN\n AEI = .FALSE.\n END IF\n\n!...Is a SAPRC07TIC or CB6 mechanism is being used?\n \n IF ( INDEX ( MECHNAME, 'CB6' ) .LE. 0 .AND. &\n ( INDEX ( MECHNAME, 'SAPRC07TIC' ) .LE. 0 ) ) THEN\n XMSG = 'This version of AQCHEM requires SAPRC07TIC or a CB6 gas mech'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT3 )\n END IF \n \n IF ( INDEX ( MECHNAME, 'SAPRC07TIC' ) .GT. 0 ) THEN\n STIC = .TRUE.\n END IF \n\n!...Make sure STM option is not set\n\n IF ( STM ) THEN\n XMSG = 'STM option not implemented in KMT AQCHEM'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT3 )\n END IF\n\n#ifdef isam\n XMSG = 'Source Apportionment is not implemented in KMT AQCHEM'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT3 )\n#endif \n\n!... set MW ratios and speciation factors for molar concentrations of coarse\n!... soluble aerosols\n\n SOIL_FE_FAC = ASOIL_FE_FAC * REAL( AEROSPC_MW( ASOIL_IDX ), 8 ) &\n / REAL( AEROSPC_MW( AFE_IDX ), 8 ) / ASOIL_RENORM\n CORS_FE_FAC = ACORS_FE_FAC * REAL( AEROSPC_MW( ACORS_IDX ), 8 ) &\n / REAL( AEROSPC_MW( AFE_IDX ), 8 ) / ACORSEM_RENORM\n\n SOIL_MN_FAC = ASOIL_MN_FAC * REAL( AEROSPC_MW( ASOIL_IDX ), 8 ) &\n / REAL( AEROSPC_MW( AMN_IDX ), 8 ) / ASOIL_RENORM\n CORS_MN_FAC = ACORS_MN_FAC * REAL( AEROSPC_MW( ACORS_IDX ), 8 ) &\n / REAL( AEROSPC_MW( AMN_IDX ), 8 ) / ACORSEM_RENORM\n\n SEAS_NA_FAC = ASCAT_NA_FAC * REAL( AEROSPC_MW( ASEACAT_IDX ), 8 ) &\n / REAL( AEROSPC_MW( ANA_IDX ), 8 )\n SOIL_NA_FAC = ASOIL_NA_FAC * REAL( AEROSPC_MW( ASOIL_IDX ), 8 ) &\n / REAL( AEROSPC_MW( ANA_IDX ), 8 ) / ASOIL_RENORM\n CORS_NA_FAC = ACORS_NA_FAC * REAL( AEROSPC_MW( ACORS_IDX ), 8 ) &\n / REAL( AEROSPC_MW( ANA_IDX ), 8 ) / ACORSEM_RENORM\n\n SEAS_MG_FAC = ASCAT_MG_FAC * REAL( AEROSPC_MW( ASEACAT_IDX ), 8 ) &\n / REAL( AEROSPC_MW( AMG_IDX ), 8 )\n SOIL_MG_FAC = ASOIL_MG_FAC * REAL( AEROSPC_MW( ASOIL_IDX ), 8 ) &\n / REAL( AEROSPC_MW( AMG_IDX ), 8 ) / ASOIL_RENORM\n CORS_MG_FAC = ACORS_MG_FAC * REAL( AEROSPC_MW( ACORS_IDX ), 8 ) &\n / REAL( AEROSPC_MW( AMG_IDX ), 8 ) / ACORSEM_RENORM\n\n SEAS_CA_FAC = ASCAT_CA_FAC * REAL( AEROSPC_MW( ASEACAT_IDX ), 8 ) &\n / REAL( AEROSPC_MW( ACA_IDX ), 8 )\n SOIL_CA_FAC = ASOIL_CA_FAC * REAL( AEROSPC_MW( ASOIL_IDX ), 8 ) &\n / REAL( AEROSPC_MW( ACA_IDX ), 8 ) / ASOIL_RENORM\n CORS_CA_FAC = ACORS_CA_FAC * REAL( AEROSPC_MW( ACORS_IDX ), 8 ) &\n / REAL( AEROSPC_MW( ACA_IDX ), 8 ) / ACORSEM_RENORM\n\n SEAS_K_FAC = ASCAT_K_FAC * REAL( AEROSPC_MW( ASEACAT_IDX ), 8 ) &\n / REAL( AEROSPC_MW( AK_IDX ), 8 )\n SOIL_K_FAC = ASOIL_K_FAC * REAL( AEROSPC_MW( ASOIL_IDX ), 8 ) &\n / REAL( AEROSPC_MW( AK_IDX ), 8 ) / ASOIL_RENORM\n CORS_K_FAC = ACORS_K_FAC * REAL( AEROSPC_MW( ACORS_IDX ), 8 ) &\n / REAL( AEROSPC_MW( AK_IDX ), 8 ) / ACORSEM_RENORM \n \n END IF ! FIRSTIME\n \n!...Set Henry's Law coefficients and other options\n\n SO2H = HLCONST( 'SO2 ', TEMP2, .FALSE., 0.0 )\n CO2H = HLCONST( 'CO2 ', TEMP2, .FALSE., 0.0 )\n NH3H = HLCONST( 'NH3 ', TEMP2, .FALSE., 0.0 )\n H2O2H = HLCONST( 'H2O2 ', TEMP2, .FALSE., 0.0 )\n O3H = HLCONST( 'O3 ', TEMP2, .FALSE., 0.0 )\n HCLH = HLCONST( 'HCL ', TEMP2, .FALSE., 0.0 )\n HNO3H = HLCONST( 'HNO3 ', TEMP2, .FALSE., 0.0 )\n MHPH = HLCONST( 'METHYLHYDROPEROX', TEMP2, .FALSE., 0.0 )\n PAAH = HLCONST( 'PEROXYACETIC_ACI', TEMP2, .FALSE., 0.0 )\n FOAH = HLCONST( 'FORMIC_ACID ', TEMP2, .FALSE., 0.0 )\n GLYH = HLCONST( 'GLYOXAL ', TEMP2, .FALSE., 0.0 )\n MGLYH = HLCONST( MGLYSUR, TEMP2, .FALSE., 0.0 )\n HOH = HLCONST( 'OH ', TEMP2, .FALSE., 0.0 ) \n GCOLH = 4.1D+04 * EXP( 4.6D+03 * ( ( 298.D0 - TEMP2 ) / ( 298.D0 * TEMP2 ) ) ) ! Sander (2015)\n CCOOHH = HLCONST( 'ACETIC_ACID ', TEMP2, .FALSE., 0.0 )\n HCHOH = 2.5D0 !HLCONST( 'FORMALDEHYDE ', TEMP2, .FALSE., 0.0 ) ! Seinfeld and Pandis (2016)\n HO2H = HLCONST( 'HO2 ', TEMP2, .FALSE., 0.0 ) \n NO2H = HLCONST( 'NO2 ', TEMP2, .FALSE., 0.0 )\n HONOH = HLCONST( 'HNO2 ', TEMP2, .FALSE., 0.0 ) \n HNO4H = HLCONST( 'HNO4 ', TEMP2, .FALSE., 0.0 ) \n HIEPOX = HLCONST( 'IEPOX ', TEMP2, .FALSE., 0.0 )\n HMAE = HLCONST( 'IMAE ', TEMP2, .FALSE., 0.0 )\n HHMML = HLCONST( 'IMAE ', TEMP2, .FALSE., 0.0 ) \n NO3H = HLCONST( 'NO3 ', TEMP2, .FALSE., 0.0 )\n CH3O2H = 2.7D0 * EXP( 2.03D+03 * ( ( 298.D0 - TEMP2 ) / ( 298.D0 * TEMP2 ) ) ) ! Leriche et al., 2013 \n PYRACH = HLCONST( 'PYRUVIC_ACID ', TEMP2, .FALSE., 0.0 ) \n\n ONE_OVER_TEMP = 1.0D0 / TEMP2\n \n JH2O2 = jh2o2_hydrometeors ! H2O2 photolysis rate calculated for gas phase chemistry\n\n!...AE6I and AE7I includes AIETETJ, AIEOSJ, ADIMJ, AIMGAJ, and AIMOSJ species. AE6/7 uses AISO3J to represent IEPOX SOA.\n \n ISPC8 = 0\n IF(AEI) ISPC8 = 1 \n\n!...SAPRC07TIC includes pyruvic acid in the gas phase mech. For that mech, allow pyruvic acid to transfer between phases\n \n MTPYRAC = 0\n IF(STIC) MTPYRAC = 1\n \n!...Flag to keep a fraction of aqueous glyoxal and methylglyoxal in aerosol phase upon droplet evaporation. \n \n OLIG = 0 !OLIGOMERIZATION OF GLY/MGLY UPON DROPLET EVAPORATION \n !1= ON, 0 = OFF -- Default = 0\n !Could consider if SOA species were explicitly tracked\n\n OLIGGLY = OLIG * 3.3D-1 !(De Haan et al., 2009; Liu et al., 2012)\n OLIGMGLY = OLIG * 1.9D-1\n \n!...Flag to consider a simply estimated photolysis rate for those rates not previously calculated for gas phase chemistry\n\n PHOTO = 0 ! =1 to estimate photolysis rate(s) with a single value modulated by COSZEN\n ! =0 to ignore photolysis rates not calculated externally in photolysis module (default)\n\n!...Check for bad temperature, cloud air mass, or pressure\n\n IF ( TEMP2 .LE. 0.0D0 .OR. AIRM .LE. 0.0D0 .OR. PRES_PA .LE. 0.0D0 ) THEN\n XMSG = 'MET DATA ERROR'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n \n JDATEKPP = JDATE\n JTIMEKPP = JTIME\n\n!...Compute fractional weights for several species \n\n TOTNIT = GAS( LHNO3 ) + AEROSOL( LNO3, ACC )\n IF ( TOTNIT .GT. 0.0D0 ) THEN\n FHNO3 = GAS( LHNO3 ) / TOTNIT\n ELSE\n FHNO3 = 1.0D0\n END IF\n \n IF ( AEROSOL( LNO3, ACC ) + AEROSOL( LNO3, COR ) .GT. 0.0D0 ) THEN\n FNO3ACC = AEROSOL( LNO3, ACC ) / (AEROSOL( LNO3, ACC ) + AEROSOL( LNO3, COR )) !just aerosol\n ELSE\n FNO3ACC = 1.d0\n END IF\n\n TOTAMM = GAS( LNH3 ) + AEROSOL( LNH4, ACC )\n IF ( TOTAMM .GT. 0.0D0 ) THEN\n FNH3 = GAS( LNH3 ) / TOTAMM\n ELSE\n FNH3 = 1.0D0\n END IF\n \n IF ( AEROSOL( LNH4, ACC ) + AEROSOL( LNH4, COR ) .GT. 0.0D0 ) THEN \n FNH4ACC = AEROSOL( LNH4, ACC ) / (AEROSOL( LNH4, ACC ) + AEROSOL( LNH4, COR )) !just aerosol\n ELSE\n FNH4ACC = 1.d0\n END IF\n \n TOTCL = GAS( LHCL ) + AEROSOL( LCL, ACC )\n IF ( TOTCL .GT. 0.0D0 ) THEN\n FHCL = GAS( LHCL ) / TOTCL\n ELSE\n FHCL = 1.0D0\n END IF\n \n IF ( AEROSOL( LCL, ACC ) + AEROSOL( LCL, COR ) .GT. 0.0D0 ) THEN \n FCLACC = AEROSOL( LCL, ACC ) / (AEROSOL( LCL, ACC ) + AEROSOL( LCL, COR )) !just aerosol\n ELSE\n FCLACC = 1.d0\n END IF\n \n IF ( COSZEN .LE. 0.0 ) THEN\n DARK = .TRUE. ! night\n ELSE\n DARK = .FALSE. ! day\n END IF\n \n!...Mass balance check - start\n STARTM = 0.d0\n ENDM = 0.d0\n MBAL = 0.d0 \n \n STARTM(1) = (GAS(LSO2) + GAS(LH2SO4)) * 32.06\n STARTM(2) = (GAS(LHNO3) + 2*GAS(LN2O5) + GAS(LNO2) + GAS(LHONO) + &\n GAS(LHNO4) + GAS(LNO3RAD))*14.007 !\n STARTM(3) = GAS(LNH3)*14.007 \n STARTM(4) = GAS(LHCL)*35.5 \n \n DO I = 1,NMODES\n STARTM(1) = STARTM(1) + AEROSOL(LSO4, I)*32.06\n STARTM(2) = STARTM(2) + AEROSOL(LNO3, I)*14.007\n STARTM(3) = STARTM(3) + AEROSOL(LNH4, I)*14.007\n STARTM(4) = STARTM(4) + AEROSOL(LCL, I)*35.5\n ENDDO \n\t\n\tPOAIinit = AEROSOL(LPOA, AKN)\t\n\tPRIIinit = AEROSOL(LPRI, AKN)\t\n\tTRACIinit = AEROSOL(LTRACER_AKN, AKN)\n\tSOAIinit = AEROSOL(LSOA, AKN)\n\t\n\tPOAJinit = AEROSOL(LPOA, ACC)\n\n \n!...Initialize dynamic species, rel/abs tolerances, and other specifications before calling integrator\n\n CTHK1 = AIRM * TEMP2 * 0.08206D0 / ( PRES_PA / 101325.D0 * 1000.0D0 ) ! cloud thickness (m)\n \n CALL Initialize( TEMP2, PRES_PA, TAUCLD, PRCRATE, &\n WCAVG, WTAVG, AIRM, ALFA0, ALFA3, &\n GAS, AEROSOL, CTHK1, DARK, COSZEN, &\n SOIL_FE_FAC, CORS_FE_FAC, SOIL_MN_FAC, &\n CORS_MN_FAC, SEAS_NA_FAC, SOIL_NA_FAC, &\n CORS_NA_FAC, SEAS_MG_FAC, SOIL_MG_FAC, &\n CORS_MG_FAC, SEAS_CA_FAC, SOIL_CA_FAC, &\n CORS_CA_FAC, SEAS_K_FAC, SOIL_K_FAC, &\n CORS_K_FAC )\n \n INVCFAC = 1.d0 / CFACTOR\n \n STEPMIN = 0.0d0\n \n!...Integrate equations describing mass transfer, scavenging, dissociation, kinetics, and deposition\n\n T = TSTART\nkron: DO WHILE (T < TEND)\n\n TIME = T\n\n CALL Update_RCONST()\n\n CALL INTEGRATE( TIN = T, TOUT = T+DT, RSTATUS_U = RSTATE, &\n ICNTRL_U = (/ 1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0 /)) !, &\n! RCNTRL_U= (/ 0.d0,0.d0,1.d-1,0.d0,0.d0,0.d0,0.d0,0.d0,0.d0, &\n! 0.d0,0.d0,0.d0,0.d0,0.d0,0.d0,0.d0,0.d0,0.d0,0.d0,0.d0 /)) ! rodas3\n\n T = RSTATE(1)\n\n END DO kron\n\n TIME = T\n\n!...Convert units and redistribute dynamic species to gas, aerosol, and deposition arrays and return\n\n GASWDEP = 0.d0\n AERWDEP = 0.d0\n \n WFACTOR = WCAVG * CTHK1 * PHI2 !Conversion factor for wet deposition species\n EXPWET = EXP( -WETFAC_KPP * TAUCLD )\n \n!...AEROSOL species, Aitken Mode\n\n AEROSOL( LNO3, AKN ) = VAR( ind_A_NO3AKN ) * INVCFAC\n AEROSOL( LNH4, AKN ) = VAR( ind_A_NH4AKN ) * INVCFAC\n AEROSOL( LCL, AKN ) = VAR( ind_A_CLAKN ) * INVCFAC\n AEROSOL( LNA, AKN ) = VAR( ind_A_NAAKN ) * INVCFAC\n AEROSOL( LSO4, AKN ) = VAR( ind_A_SO4AKN ) * INVCFAC\n AEROSOL( LEC, AKN ) = VAR( ind_A_PECAKN ) * INVCFAC\n AEROSOL( LPOA, AKN ) = VAR( ind_A_POAAKN ) * INVCFAC\n AEROSOL( LPRI, AKN ) = VAR( ind_A_PRIAKN ) * INVCFAC\n AEROSOL( LNUM, AKN ) = AEROSOL( LNUM, AKN ) * EXP(-ALFA0 * TAUCLD) \n \n!...Simple treatment for Hg/toxic tracer species \n \n AEROSOL( LTRACER_ACC, ACC ) = AEROSOL( LTRACER_ACC, ACC ) + &\n AEROSOL( LTRACER_AKN, AKN ) * (1.d0-EXP(-ALFA3 * TAUCLD)) \n AEROSOL( LPHG_ACC, ACC ) = AEROSOL( LPHG_ACC, ACC ) + &\n AEROSOL( LPHG_AKN, AKN ) * (1.d0-EXP(-ALFA3 * TAUCLD))\n\t\t\t\t \n AEROSOL( LTRACER_AKN, AKN ) = AEROSOL( LTRACER_AKN, AKN ) * EXP(-ALFA3 * TAUCLD) \n AEROSOL( LPHG_AKN, AKN ) = AEROSOL( LPHG_AKN, AKN ) * EXP(-ALFA3 * TAUCLD)\t\t\t\t \n AERWDEP( LTRACER_ACC, ACC ) = AEROSOL( LTRACER_ACC,ACC ) * ( 1.d0 - EXPWET ) * CFACTOR \n AERWDEP( LPHG_ACC, ACC ) = AEROSOL( LPHG_ACC,ACC ) * ( 1.d0 - EXPWET ) * CFACTOR \n AERWDEP( LTRACER_COR, COR ) = AEROSOL( LTRACER_COR,COR ) * ( 1.d0 - EXPWET ) * CFACTOR \n AERWDEP( LPHG_COR, COR ) = AEROSOL( LPHG_COR,COR ) * ( 1.d0 - EXPWET ) * CFACTOR \n \n AEROSOL( LTRACER_ACC, ACC ) = AEROSOL( LTRACER_ACC, ACC ) * EXPWET\n AEROSOL( LPHG_ACC, ACC ) = AEROSOL( LPHG_ACC, ACC ) * EXPWET\n \n AEROSOL( LTRACER_COR, COR ) = AEROSOL( LTRACER_COR, COR ) * EXPWET\n AEROSOL( LPHG_COR, COR ) = AEROSOL( LPHG_COR, COR ) * EXPWET \n \n \n!...SOA (it now can have an AKN mode)\n \n AEROSOL( LSOA, ACC ) = AEROSOL( LSOA, ACC ) + &\n AEROSOL( LSOA, AKN ) * (1.d0-EXP(-ALFA3 * TAUCLD))\n AEROSOL( LSOA, AKN ) = AEROSOL( LSOA, AKN ) * EXP(-ALFA3 * TAUCLD) \n AERWDEP( LSOA, ACC ) = AEROSOL( LSOA, ACC ) * ( 1.d0 - EXPWET ) * CFACTOR \n AEROSOL( LSOA, ACC ) = AEROSOL( LSOA, ACC ) * EXPWET \n \n \n! As in standard \"AQCHEM\", the assumption is made here that final coarse mode\n! concentrations are updated due to wet deposition alone (i.e., no mass\n! change due to chemistry or phase transfer) \n \n!...AERWDEP species, coarse mode\n\n AERWDEP( LSOILC, COR ) = AEROSOL( LSOILC,COR ) * ( 1.d0 - EXPWET ) * CFACTOR \n AERWDEP( LSEASC, COR ) = AEROSOL( LSEASC,COR ) * ( 1.d0 - EXPWET ) * CFACTOR \n AERWDEP( LANTHC, COR ) = AEROSOL( LANTHC,COR ) * ( 1.d0 - EXPWET ) * CFACTOR \n AERWDEP( LSO4, COR ) = AEROSOL( LSO4,COR ) * ( 1.d0 - EXPWET ) * CFACTOR\n AERWDEP( LNH4, COR ) = AEROSOL( LNH4,COR ) * ( 1.d0 - EXPWET ) * CFACTOR\n AERWDEP( LNO3, COR ) = AEROSOL( LNO3,COR ) * ( 1.d0 - EXPWET ) * CFACTOR\n AERWDEP( LCL, COR ) = AEROSOL( LCL,COR ) * ( 1.d0 - EXPWET ) * CFACTOR\n\n!...AEROSOL species, coarse mode \n\n AEROSOL( LNUM, COR ) = AEROSOL( LNUM, COR ) * EXPWET \n AEROSOL( LSOILC, COR ) = AEROSOL( LSOILC, COR ) * EXPWET\n AEROSOL( LSEASC, COR ) = AEROSOL( LSEASC, COR ) * EXPWET\n AEROSOL( LANTHC, COR ) = AEROSOL( LANTHC, COR ) * EXPWET\n AEROSOL( LSO4, COR ) = AEROSOL( LSO4, COR ) * EXPWET\n AEROSOL( LNH4, COR ) = AEROSOL( LNH4, COR ) * EXPWET\n AEROSOL( LNO3, COR ) = AEROSOL( LNO3, COR ) * EXPWET\n AEROSOL( LCL, COR ) = AEROSOL( LCL, COR ) * EXPWET \n\n!...AERWDEP species, accumulation mode \n\n! AERWDEP( LSOA, ACC ) = AEROSOL( LSOA, ACC ) * ( 1 - EXPWET) * CFACTOR ! SOA is only impacted by wet dep process \n! ! and not included in the list of dynamic \n! ! species, VAR \n \n WDFECOR = SOIL_FE_FAC * AERWDEP( LSOILC, COR ) + CORS_FE_FAC * AERWDEP( LANTHC, COR )\n WDMNCOR = SOIL_MN_FAC * AERWDEP( LSOILC, COR ) + CORS_MN_FAC * AERWDEP( LANTHC, COR ) \n WDNACOR = SEAS_NA_FAC * AERWDEP( LSEASC, COR ) + SOIL_NA_FAC * AERWDEP( LSOILC, COR ) &\n + CORS_NA_FAC * AERWDEP( LANTHC, COR )\n WDMGCOR = SEAS_MG_FAC * AERWDEP( LSEASC, COR ) + SOIL_MG_FAC * AERWDEP( LSOILC, COR ) &\n + CORS_MG_FAC * AERWDEP( LANTHC, COR )\n WDCACOR = SEAS_CA_FAC * AERWDEP( LSEASC, COR ) + SOIL_CA_FAC * AERWDEP( LSOILC, COR ) &\n + CORS_CA_FAC * AERWDEP( LANTHC, COR )\n WDKCOR = SEAS_K_FAC * AERWDEP( LSEASC, COR ) + SOIL_K_FAC * AERWDEP( LSOILC, COR ) &\n + CORS_K_FAC * AERWDEP( LANTHC, COR )\n\n! For aerosol species with both accumulation mode and coarse mode components, the accumulation\n! mode wet deposition amount is determined by subtracting the analytically determined\n! coarse mode deposition amount from the total (accumulation+coarse mode) species wet \n! deposition amount \n \n AERWDEP( LFEACC, ACC ) = MAX( ( VAR( ind_WD_FEPLUS3 ) / FE_III / FE_SOL) - WDFECOR, 0.0d0 )\n AERWDEP( LMNACC, ACC ) = MAX( ( VAR( ind_WD_MNPLUS2 ) / MN_II / MN_SOL) - WDMNCOR, 0.0d0 ) \n AERWDEP( LNA, ACC ) = MAX( VAR( ind_WD_NAPLUS ) - WDNACOR, 0.0d0 )\n AERWDEP( LCAACC, ACC ) = MAX( VAR( ind_WD_CAPLUS2 ) - WDCACOR, 0.0d0 )\n AERWDEP( LMGACC, ACC ) = MAX( VAR( ind_WD_MGPLUS2 ) - WDMGCOR, 0.0d0 )\n AERWDEP( LKACC, ACC ) = MAX( VAR( ind_WD_KPLUS ) - WDKCOR, 0.0d0 )\n \n AERWDEP( LSO4, ACC ) = MAX( VAR( ind_WD_H2SO4 ) - AERWDEP( LSO4, COR ), 0.0d0 )\n AERWDEP( LNH4, ACC ) = MAX( VAR( ind_WD_NH4PLUS ) - AERWDEP( LNH4, COR ), 0.0d0 )\n AERWDEP( LNO3, ACC ) = MAX( VAR( ind_WD_NO3MIN ) - AERWDEP( LNO3, COR ), 0.0d0 )\n AERWDEP( LCL, ACC ) = MAX( VAR( ind_WD_CLMIN ) - AERWDEP( LCL, COR ), 0.0d0 )\n \n AERWDEP( LPRI, ACC ) = VAR( ind_WD_PRIACC )\n AERWDEP( LEC, ACC ) = VAR( ind_WD_PECACC )\n AERWDEP( LORGC, ACC ) = VAR( ind_WD_ORGC )\n AERWDEP( LPOA, ACC ) = VAR( ind_WD_POAACC ) \n \n IF(ISPC8 .gt. 0) THEN \n AERWDEP( LIETET, ACC ) = VAR( ind_WD_IETET )\n AERWDEP( LIEOS, ACC ) = VAR( ind_WD_IEOS )\n AERWDEP( LDIMER, ACC ) = VAR( ind_WD_DIMER )\n AERWDEP( LIMGA, ACC ) = VAR( ind_WD_IMGA )\n AERWDEP( LIMOS, ACC ) = VAR( ind_WD_IMOS )\n ELSE \n AERWDEP( LISO3, ACC ) = VAR( ind_WD_IETET )\n END IF\n \n! For volatile species represented in the coarse mode -- make sure you are \n! not depositing more mass from the coarse mode than was calculated for the total\n\n IF( AERWDEP( LNH4, COR ) .GT. VAR( ind_WD_NH4PLUS ) ) THEN\n AERWDEP( LNH4, COR ) = ( 1.0d0 - FNH4ACC ) * VAR( ind_WD_NH4PLUS )\n AERWDEP( LNH4, ACC ) = FNH4ACC * VAR( ind_WD_NH4PLUS )\n AEROSOL( LNH4, COR ) = ( 1.0d0 - FNH4ACC ) * ( VAR( ind_L_NH4OH ) + &\n VAR( ind_L_NH4PLUS ) ) * INVCFAC\n END IF\n \n IF( AERWDEP( LNO3, COR ) .GT. VAR( ind_WD_NO3MIN ) ) THEN\n AERWDEP( LNO3, COR ) = ( 1.0d0 - FNO3ACC ) * VAR( ind_WD_NO3MIN )\n AERWDEP( LNO3, ACC ) = FNO3ACC * VAR( ind_WD_NO3MIN )\n AEROSOL( LNO3, COR ) = ( 1.0d0 - FNO3ACC ) * ( VAR( ind_L_HNO3 ) + &\n VAR( ind_L_NO3MIN ) ) * INVCFAC\n END IF\n \n IF( AERWDEP( LCL, COR) .GT. VAR( ind_WD_CLMIN ) ) THEN\n AERWDEP( LCL, COR) = ( 1.0d0 - FCLACC ) * VAR( ind_WD_CLMIN )\n AERWDEP( LCL, ACC) = FCLACC * VAR( ind_WD_CLMIN )\n AEROSOL( LCL, COR) = ( 1.0d0 - FCLACC ) * VAR( ind_L_CLMIN ) * INVCFAC\n END IF \n \n!...AEROSOL species, accumulation mode\n \n AEROSOL( LPRI, ACC ) = VAR( ind_L_PRIACC ) * INVCFAC\n AEROSOL( LEC, ACC ) = VAR( ind_L_PECACC ) * INVCFAC \n AEROSOL( LORGC, ACC ) = VAR( ind_L_ORGC ) * INVCFAC \n AEROSOL( LPOA, ACC ) = VAR( ind_L_POAACC ) * INVCFAC \n! AEROSOL( LSOA, ACC ) = AEROSOL( LSOA, ACC ) * EXPWET ! SOA is only impacted by wet dep process \n! ! and not included in the list of dynamic \n! ! species, VAR \n\t\t \n\t\t \n \n IF( AEROSOL(LTRACER_ACC, ACC) .GT. 0.d0 ) THEN \n FRACTR = MIN(((TRACIinit - AEROSOL(LTRACER_AKN, AKN))*EXPWET) / &\n\t AEROSOL( LTRACER_ACC, ACC ), 1.0D0) \n ELSE \n FRACTR = 0.d0\n END IF\n \n IF( AEROSOL(LPOA, ACC) .GT. 0.d0 ) THEN \n FRACPOA = MIN(((POAIinit - AEROSOL(LPOA, AKN))*EXPWET) / &\n\t AEROSOL( LPOA, ACC ), 1.0D0) \n ELSE \n FRACPOA = 0.d0\n END IF\n \n IF( AEROSOL(LPRI, ACC) .GT. 0.d0 ) THEN \n FRACPRI = MIN(((PRIIinit - AEROSOL(LPRI, AKN))*EXPWET) / &\n\t AEROSOL( LPRI, ACC ), 1.0D0) \n ELSE \n FRACPRI = 0.d0\n END IF\n \n IF( AEROSOL(LSOA, ACC) .GT. 0.d0 ) THEN \n FRACSOA = MIN(((SOAIinit - AEROSOL(LSOA, AKN))*EXPWET) / &\n\t AEROSOL( LSOA, ACC ), 1.0D0) \n ELSE \n FRACSOA = 0.d0\n END IF\n \n\n IF(ISPC8 .gt. 0) THEN \n AEROSOL( LIETET, ACC ) = VAR( ind_L_IETET ) * INVCFAC\n AEROSOL( LIEOS, ACC ) = VAR( ind_L_IEOS ) * INVCFAC\n AEROSOL( LDIMER, ACC ) = VAR( ind_L_DIMER ) * INVCFAC\n AEROSOL( LIMGA, ACC ) = VAR( ind_L_IMGA ) * INVCFAC\n AEROSOL( LIMOS, ACC ) = VAR( ind_L_IMOS ) * INVCFAC \n ELSE\n AEROSOL( LISO3, ACC ) = ( VAR( ind_L_ISO3 ) ) * INVCFAC\n END IF\n \n FECOR = SOIL_FE_FAC * AEROSOL( LSOILC, COR ) + CORS_FE_FAC * AEROSOL( LANTHC, COR )\n MNCOR = SOIL_MN_FAC * AEROSOL( LSOILC, COR ) + CORS_MN_FAC * AEROSOL( LANTHC, COR )\n NACOR = SEAS_NA_FAC * AEROSOL( LSEASC, COR ) + SOIL_NA_FAC * AEROSOL( LSOILC, COR ) &\n + CORS_NA_FAC * AEROSOL( LANTHC, COR )\n MGCOR = SEAS_MG_FAC * AEROSOL( LSEASC, COR ) + SOIL_MG_FAC * AEROSOL( LSOILC, COR) &\n + CORS_MG_FAC * AEROSOL( LANTHC, COR )\n CACOR = SEAS_CA_FAC * AEROSOL( LSEASC, COR ) + SOIL_CA_FAC * AEROSOL( LSOILC, COR) &\n + CORS_CA_FAC * AEROSOL( LANTHC, COR )\n KCOR = SEAS_K_FAC * AEROSOL( LSEASC, COR ) + SOIL_K_FAC * AEROSOL( LSOILC, COR ) &\n + CORS_K_FAC * AEROSOL( LANTHC, COR ) \n \n AEROSOL( LFEACC, ACC ) = MAX( ( VAR( ind_L_FEPLUS3 ) / FE_III / FE_SOL - FECOR * CFACTOR ) * & \n INVCFAC, 0.0d0 )\n AEROSOL( LMNACC, ACC ) = MAX( ( VAR( ind_L_MNPLUS2 ) / MN_II / MN_SOL - MNCOR * CFACTOR ) * &\n INVCFAC, 0.0d0 ) \n AEROSOL( LNA, ACC ) = MAX( ( VAR( ind_L_NAPLUS ) - NACOR * CFACTOR ) * INVCFAC, 0.0d0 )\n AEROSOL( LCAACC, ACC ) = MAX( ( VAR( ind_L_CAPLUS2 ) - CACOR * CFACTOR ) * INVCFAC, 0.0d0 ) \n AEROSOL( LMGACC, ACC ) = MAX( ( VAR( ind_L_MGPLUS2 ) - MGCOR * CFACTOR ) * INVCFAC, 0.0d0 ) \n AEROSOL( LKACC, ACC ) = MAX( ( VAR( ind_L_KPLUS ) - KCOR * CFACTOR ) * INVCFAC, 0.0d0 ) \n \n AEROSOL( LSO4, ACC ) = MAX( ( (VAR( ind_L_H2SO4 ) + VAR( ind_L_SO4MIN2 ) + &\n VAR( ind_L_HSO4MIN ) ) * INVCFAC ) - AEROSOL( LSO4, COR ), 0.0d0 ) \n AEROSOL( LCL, ACC ) = MAX( ( VAR( ind_L_CLMIN ) * INVCFAC ) - AEROSOL (LCL, COR ), 0.0d0 ) \n \n TOTAMM = VAR( ind_G_NH3 ) + VAR( ind_L_NH4OH ) + VAR( ind_L_NH4PLUS ) - &\n AEROSOL( LNH4, COR ) * CFACTOR\n TOTNIT = VAR( ind_G_HNO3 ) + VAR( ind_L_HNO3 ) + VAR( ind_L_NO3MIN ) - &\n AEROSOL( LNO3, COR ) * CFACTOR\n\n TOTAMM = MAX( TOTAMM, 0.0d0 )\n TOTNIT = MAX( TOTNIT, 0.0d0 )\n \n AEROSOL( LNO3, ACC ) = ( ( 1.0d0 - FHNO3 ) * TOTNIT ) * INVCFAC\n AEROSOL (LNH4, ACC ) = ( ( 1.0d0 - FNH3 ) * TOTAMM ) * INVCFAC \n\n!...Gas phase species\n\n GAS(LSO2) = ( VAR( ind_G_SO2 ) + VAR( ind_L_SO2 ) + VAR( ind_L_HSO3MIN ) + &\n VAR( ind_L_SO3MIN2 ) + VAR( ind_L_HMSMIN ) + VAR( ind_L_SO3MIN ) + &\n VAR( ind_L_SO5MIN ) + VAR( ind_L_HSO5MIN ) + VAR( ind_L_SO4MIN )) * INVCFAC\n GAS(LN2O5) = 0.0D0\n GAS(LCO2) = ( VAR( ind_G_CO2 ) + VAR( ind_L_H2CO3 ) + VAR( ind_L_HCO3MIN ) + & \n VAR( ind_L_CO3MIN2 ) + VAR( ind_L_CO2MIN )) * INVCFAC\n GAS(LH2O2) = ( VAR( ind_G_H2O2 ) + VAR( ind_L_H2O2 ) ) * INVCFAC \n GAS(LO3) = ( VAR( ind_G_O3 ) + VAR( ind_L_O3 ) ) * INVCFAC \n GAS(LFOA) = ( VAR( ind_G_HCOOH ) + VAR( ind_L_HCOOH ) + VAR( ind_L_HCOOMIN ) ) * INVCFAC\n GAS(LMHP) = ( VAR( ind_G_MHP ) + VAR( ind_L_MHP ) ) * INVCFAC\n GAS(LPAA) = ( VAR( ind_G_PAA ) + VAR( ind_L_PAA ) ) * INVCFAC \n GAS(LH2SO4) = 0.0D0\n GAS(LHCL) = ( VAR( ind_G_HCL ) + VAR( ind_L_HCL ) ) * INVCFAC \n GAS(LGLY) = ( VAR( ind_G_GLY ) + VAR( ind_L_GLY )*(1.d0-OLIGGLY) ) * INVCFAC\n GAS(LMGLY) = ( VAR( ind_G_MGLY ) + VAR( ind_L_MGLY ) *(1.d0-OLIGMGLY)) * INVCFAC\n GAS(LHNO3) = ( FHNO3 * TOTNIT ) * INVCFAC\n GAS(LNH3) = ( FNH3 * TOTAMM ) * INVCFAC \n! Fixed OHg vs variable \n GAS(LHO) = ( FIX( indf_G_HO ) ) * INVCFAC \n! GAS(LHO) = ( VAR( ind_G_HO ) + VAR( ind_L_HO ) ) * INVCFAC \n\n GAS( LIEPOX ) = ( VAR( ind_G_IEPOX ) + VAR( ind_L_IEPOX ) ) * INVCFAC\n \n IF( ISPC8 .GT. 0 ) THEN \n GAS( LIMAE ) = ( VAR( ind_G_IMAE ) + VAR( ind_L_IMAE ) ) * INVCFAC \n GAS( LIHMML ) = ( VAR( ind_G_IHMML ) + VAR( ind_L_IHMML ) ) * INVCFAC \n END IF\n \n GAS(LHO2) = ( VAR( ind_G_HO2 ) + VAR( ind_L_HO2 ) + VAR( ind_L_O2MIN ) ) * INVCFAC \n GAS(LNO2) = ( VAR( ind_G_NO2 ) + VAR( ind_L_NO2 ) ) * INVCFAC \n GAS(LHONO) = ( VAR( ind_G_HONO ) + VAR( ind_L_HONO ) + VAR( ind_L_NO2MIN ) ) * INVCFAC \n GAS(LHNO4) = ( VAR( ind_G_HNO4 ) + VAR( ind_L_HNO4 ) + VAR( ind_L_NO4MIN ) ) * INVCFAC \n \n GAS(LNO3RAD) = ( VAR( ind_G_NO3 ) + VAR( ind_L_NO3 ) ) * INVCFAC \n GAS(LCH3O2) = ( VAR( ind_G_CH3O2 ) + VAR( ind_L_CH3O2 ) ) * INVCFAC \n GAS(LCCOOH) = ( VAR(ind_G_CCOOH) + VAR(ind_L_CCOOH) + VAR(ind_L_CCOOHMIN) )*INVCFAC\n GAS(LHCHO) = (VAR(ind_G_HCHO) + VAR(ind_L_CH2OHYD) + VAR(ind_L_HCHO) + VAR(ind_L_HMSMIN) )*INVCFAC\n GAS(LGCOL) = (VAR(ind_G_GCOL) + VAR(ind_L_GCOL) )*INVCFAC\n\n GAS(LHCHOP) = (VAR(ind_G_HCHOP) + VAR(ind_L_CH2OHYDP) + VAR(ind_L_HCHOP) + VAR(ind_L_HMSMINP) )*INVCFAC \n\n!...Gas phase species deposition amounts\n\n GASWDEP( LSO2 ) = VAR( ind_WD_SO2 ) \n GASWDEP( LHNO3 ) = VAR( ind_WD_HNO3 )\n GASWDEP( LN2O5 ) = 0.0D0 ! already transferred to HNO3\n GASWDEP( LCO2 ) = VAR( ind_WD_CO2 )\n GASWDEP( LNH3 ) = VAR( ind_WD_NH4OH )\n GASWDEP( LH2O2 ) = VAR( ind_WD_H2O2 )\n GASWDEP( LO3 ) = VAR( ind_WD_O3 )\n GASWDEP( LFOA ) = VAR( ind_WD_HCOOH )\n GASWDEP( LMHP ) = VAR( ind_WD_MHP )\n GASWDEP( LPAA ) = VAR( ind_WD_PAA )\n GASWDEP( LH2SO4 ) = 0.0D0 ! already transferred to SO4\n GASWDEP( LHCL ) = VAR( ind_WD_HCL )\n GASWDEP( LGLY ) = VAR( ind_WD_GLY ) * (1.d0-OLIGGLY)\n GASWDEP( LMGLY ) = VAR( ind_WD_MGLY ) * (1.d0-OLIGMGLY)\n GASWDEP( LHO ) = VAR( ind_WD_HO )\n \n GASWDEP( LIEPOX ) = VAR( ind_WD_IEPOX )\n \n IF( ISPC8 .GT. 0 ) THEN \n GASWDEP( LIMAE ) = VAR( ind_WD_IMAE )\n GASWDEP( LIHMML ) = VAR( ind_WD_IHMML ) \n END IF \n \n GASWDEP( LNO2 ) = VAR( ind_WD_NO2 )\n GASWDEP( LHONO ) = VAR( ind_WD_HONO )\n GASWDEP( LHNO4 ) = VAR( ind_WD_HNO4 )\n \n GASWDEP( LNO3RAD ) = VAR( ind_WD_NO3 )\n GASWDEP( LCH3O2 ) = VAR( ind_WD_CH3O2 )\n GASWDEP( LGCOL) = VAR( ind_WD_GCOL )\n GASWDEP( LCCOOH ) = VAR( ind_WD_CCOOH ) \n GASWDEP( LHCHO ) = VAR( ind_WD_CH2OHYD )\n GASWDEP( LHO2 ) = VAR( ind_WD_HO2 )\n GASWDEP( LHCHOP ) = VAR( ind_WD_CH2OHYDP )\n \n APYRAC = 0.d0 \n WDPYRAC = 0.d0\n \n IF( MTPYRAC .GT. 0 ) THEN\n GAS( LPYRUV ) = ( VAR( ind_G_PYRAC ) + VAR( ind_L_PYRAC ) )*INVCFAC ! returning G_PYRAC and L_PYRAC\n ! to the gas phase when gas phase\n ! pyruvic acid species exists in \n ! gas phase mechanism\n GASWDEP( LPYRUV ) = VAR( ind_WD_PYRAC )\n WDPYRAC = 0\n APYRAC = VAR( ind_L_PYRACMIN )\n ELSE\n WDPYRAC = VAR(ind_WD_PYRAC) \n APYRAC = VAR( ind_L_PYRAC ) + VAR( ind_L_PYRACMIN ) \n END IF\n \n\n AEROSOL(LORGC,ACC) = (VAR(ind_L_ORGC) + ((74.04/177.)*VAR(ind_L_GLYAC)) + ((90.03/177.)*VAR(ind_L_OXLAC)) &\n + ((90.03/177.)*VAR(ind_L_OXLACMIN)) + ((90.03/177.)*VAR(ind_L_OXLACMIN2)) + ((88.06/177.)* APYRAC ) & \n + ((76.05/177.)*VAR(ind_L_GCOLAC)) + ((74.04/177.)*VAR(ind_L_GLYACMIN)) &\n + ((76.05/177.)*VAR(ind_L_GCOLACMIN)) &\n + (58.04/177.)*OLIGGLY*VAR(ind_L_GLY) + (72.06/177.)*OLIGMGLY*VAR(ind_L_MGLY))*INVCFAC\n \n AERWDEP(LORGC,ACC) = VAR(ind_WD_ORGC) + ((74.04/177.)*VAR(ind_WD_GLYAC)) + &\n ((90.03/177.)*VAR(ind_WD_OXLAC)) + & \n ((88.06/177.)* WDPYRAC) + &\n ((76.05/177.)*VAR(ind_WD_GCOLAC)) + &\n (58.04/177.)*OLIGGLY*VAR(ind_WD_GLY) + (72.06/177.)*OLIGMGLY*VAR(ind_WD_MGLY)\n \n!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! \n!...Convert to appropriate units (mol / m2)\n \n DO I = 1,NGAS\n GASWDEP( I ) = GASWDEP( I ) * WFACTOR\n END DO\n \n DO J = 1, NMODES\n DO I = 1, NAER\n AERWDEP( I, J ) = AERWDEP( I, J ) * WFACTOR\n END DO\n END DO \n \n DO I = 1, NGAS\n IF( GAS( I ) .LT. 0.0d0 ) GAS( I ) = 0.0d0\n IF( GASWDEP( I ) .LT. 0.0d0 ) GASWDEP( I ) = 0.0d0\n END DO\n \n DO J =1, NMODES\n DO I =1, NAER\n IF( AEROSOL( I, J ) .LT. 0.d0 ) AEROSOL( I, J ) = 0.d0\n IF( AERWDEP( I, J ) .LT. 0.d0 ) AERWDEP( I, J ) = 0.d0\n END DO\n END DO \n\n!...Store the amount of hydrogen deposition\n\n HPWDEP = VAR( ind_WD_HPLUS ) * WFACTOR\n BETASO4 = 0.0D0\n DEPSUM = AERWDEP( LSO4, ACC ) / WFACTOR\n \n IF( AEROSOL( LSO4, ACC ) * CFACTOR + DEPSUM .GT. 0.0d0 ) THEN\n BETASO4 = DEPSUM / ( AEROSOL( LSO4, ACC ) * CFACTOR + DEPSUM ) / &\n TAUCLD \n ELSE\n BETASO4 = 0.d0\n END IF\n \n AEROSOL( LNUM, ACC ) = AEROSOL( LNUM, ACC ) * EXP( -BETASO4 * TAUCLD ) \n\n!...Mass balance check - end\n \n ENDM(1) = (GAS(LSO2) + GAS(LH2SO4) + (GASWDEP(LSO2) + &\n GASWDEP(LH2SO4))/WFACTOR/CFACTOR) * 32.06\n ENDM(2) = (GAS(LHNO3) + 2*GAS(LN2O5) + GAS(LNO2) + GAS(LHONO) + &\n GAS(LHNO4) + GAS(LNO3RAD)+(GASWDEP(LHNO3) + GASWDEP(LNO2) + GASWDEP(LHONO) + &\n GASWDEP(LHNO4) + GASWDEP(LNO3RAD))/WFACTOR/CFACTOR)*14.007 !\n ENDM(3) = (GAS(LNH3)+ GASWDEP(LNH3)/WFACTOR/CFACTOR)*14.007 \n ENDM(4) = (GAS(LHCL)+GASWDEP(LHCL)/WFACTOR/CFACTOR)*35.5 \n \n DO I = 1,NMODES\n ENDM(1) = ENDM(1) + AEROSOL(LSO4, I)*32.06\n ENDM(2) = ENDM(2) + AEROSOL(LNO3, I)*14.007\n ENDM(3) = ENDM(3) + AEROSOL(LNH4, I)*14.007\n ENDM(4) = ENDM(4) + AEROSOL(LCL, I)*35.5\n ENDDO \n \n DO I = 1,NMODES\n ENDM(1) = ENDM(1) + (AERWDEP(LSO4,I)/WFACTOR/CFACTOR)*32.06\n ENDM(2) = ENDM(2) + (AERWDEP(LNO3,I)/WFACTOR/CFACTOR)*14.007\n ENDM(3) = ENDM(3) + (AERWDEP(LNH4,I)/WFACTOR/CFACTOR)*14.007\n ENDM(4) = ENDM(4) + (AERWDEP(LCL,I)/WFACTOR/CFACTOR)*35.5\n ENDDO\n \n DO I = 1,4\n \n IF(STARTM(I) .GT. 0.d0) THEN\n MBAL(I) = 100*(STARTM(I) - ENDM(I)) / STARTM(I)\n ELSE\n MBAL(I) = 0.d0\n END IF\n \n IF( ABS(MBAL(I)) .GT. 0.5 ) THEN \n write(logdev,*) 'POTL MBAL PROB IN AQCHEM'\n write(logdev,*) '1=S, 2=N(not NH3), 3=NH3/4, 4=CL'\n write(logdev,*) 'I, START, END'\n write(logdev,*) I, STARTM(I), ENDM(I)\n XMSG = 'Mass balance problem in KMT?'\n CALL M3WARN ( PNAME, JDATE, JTIME, XMSG )\n END IF \n \n END DO\n \n RETURN\n\n!...formats\n\n END\n" }, { "path": "CCTM/src/couple/gencoor_local_cons/couple.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE COUPLE ( CGRID, JDATE, JTIME, TSTEP )\n\nC-----------------------------------------------------------------------\nC Function:\nC Convert units and couple concentration values in CGRID for transport\n \nC Preconditions:\n \nC Subroutines and functions called:\nC M3EXIT\n \nC Revision History:\nC Jeff Sep 97 - leave gas chem, non-reactive and tracer species in\nC standard (ppmV) units for transport\nC 2 October, 1998 by Al Bourgeois at LM: parallel implementation\nC Jeff - Dec 00 - move CGRID_MAP into f90 module\nC 30 Mar 01 J.Young: dyn alloc - Use HGRD_DEFN; replace INTERP3 with INTERPX\nC - Jun 01 - update units conversion calls and comments\nC 31 Jan 05 J.Young: dyn alloc - establish both horizontal & vertical\nC domain specifications in one module\nC 21 Jun 10 J.Young: convert for Namelist redesign\nC 16 Feb 11 S.Roselle: replaced I/O API include files with UTILIO_DEFN;\nC removed deprecated TRIMLEN\nC 11 May 11 D.Wong: incorporated twoway model implementation\nC 11 Oct 11 J.Young: eliminate ppmv_msmr\nC 08 July 19 F. Sidi: Updated subroutine with CIO changes\nC 09 Dec 19 S.L.Napelenok: ddm-3d implementation for cmaq v5.3.1\nC-----------------------------------------------------------------------\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE CGRID_SPCS ! CGRID mechanism species\n USE UTILIO_DEFN\n USE CENTRALIZED_IO_MODULE, only : interpolate_var\n#ifdef isam\n USE SA_DEFN, ONLY: ISAM, NSPC_SA, NTAG_SA, MAP_SAtoCGR,\n & TRANSPORT_SPC, ITAG\n#endif \n\n#ifdef sens\n USE DDM3D_DEFN, ONLY:SENGRID, NPMAX, NP\n#endif \n\n IMPLICIT NONE \n\nC Include files:\n\n INCLUDE SUBST_FILES_ID ! file name parameters\n\nC Arguments:\n\n! REAL :: CGRID( :,:,:,: ) ! concentrations\n REAL, POINTER :: CGRID( :,:,:,: ) ! concentrations\n INTEGER, INTENT( IN ) :: JDATE ! current model date, coded YYYYDDD\n INTEGER, INTENT( IN ) :: JTIME ! current model time, coded HHMMSS\n INTEGER, INTENT( IN ) :: TSTEP( 3 ) ! time step vector (HHMMSS)\n ! TSTEP(1) = local output step\n ! TSTEP(2) = sciproc sync. step (chem)\n ! TSTEP(3) = twoway model time step w.r.t. wrf time\n ! step and wrf/cmaq call frequency\n\nC Parameters:\n REAL, PARAMETER :: GPKG = 1.0E+03 ! g/kg\n REAL, PARAMETER :: MGPG = 1.0E+06 ! micro-g/g\n REAL, PARAMETER :: CONV = GPKG * MGPG\n\nC External Functions:\n\nC File Variables:\n \n REAL JACOBM( NCOLS,NROWS,NLAYS ) !\"total\" Jacobian\n REAL RHOJ ( NCOLS,NROWS,NLAYS ) !\"total\" Jacobian * air density\n\nC Local Variables:\n\n CHARACTER( 16 ) :: PNAME = 'COUPLE'\n CHARACTER( 16 ) :: VNAME\n CHARACTER( 96 ) :: XMSG = ' '\n\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n\n INTEGER, SAVE :: NQAE ! number of micro-grams/m**3 species\n INTEGER, SAVE :: NNAE ! number of #/m**3 species\n INTEGER, SAVE :: NSAE ! number of m**2/m**3 species\n INTEGER, ALLOCATABLE, SAVE :: QAE( : ) ! CGRID pointer to micro-grams/m**3 species\n INTEGER, ALLOCATABLE, SAVE :: NAE( : ) ! CGRID pointer to #/m**3 species\n INTEGER, ALLOCATABLE, SAVE :: SAE( : ) ! CGRID pointer to m**2/m**3 species\n\n INTEGER ALLOCSTAT\n\n INTEGER OFF ! loop offset to CGRID species\n INTEGER C, R, L, SPC, V ! loop counters\n\n#ifdef isam\n INTEGER :: SPC_CGRID\n#endif\n\nC-----------------------------------------------------------------------\n\nC If ISPCA .ne. 0, then air is advected and concs. are adjusted\n\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n\n IF ( N_AE_SPC .GT. 0 ) THEN\nC create aerosol species pointers to distinguish micro-grams/m**3,\nC #/m**3 (number density), and m**2/m**3 (surface area) species\n \n ALLOCATE ( QAE( N_AE_SPC ),\n & NAE( N_AE_SPC ),\n & SAE( N_AE_SPC ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating QAE, NAE, or SAE'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n NQAE = 0 ! no. of micro-grams/m**3 species\n NNAE = 0 ! no. of #/m**3 species\n NSAE = 0 ! no. of m**2/m**3 species\n! OFF = AE_STRT - 1\n OFF = 0\n DO SPC = 1, N_AE_SPC\n IF ( AE_SPC( SPC )( 1:3 ) .EQ. 'NUM' ) THEN\n NNAE = NNAE + 1\n NAE( NNAE ) = OFF + SPC\n ELSE IF ( AE_SPC( SPC )( 1:3 ) .EQ. 'SRF' ) THEN\n NSAE = NSAE + 1\n SAE( NSAE ) = OFF + SPC\n ELSE\n NQAE = NQAE + 1\n QAE( NQAE ) = OFF + SPC\n END IF\n END DO\n\n2009 format( 5x, 2i4, 2x, a )\n\n END IF\n\n END IF ! if firstime\n\nC Read Jacobian X Air Density (Jacobian = sq. root det. metric tensor)\n\n call interpolate_var ('DENSA_J', JDATE, JTIME, RHOJ)\n \n call interpolate_var ('JACOBM', JDATE, JTIME, JACOBM)\n\nC couple for advection - use density times the square root of the determinant\nC of the metric tensor (the Jacobian) = RHOJ\n \nC CGRID in mixing ratio [ppmV] -> (air density X \"total\" Jacobian) X mixing ratio [ppmV]\n IF ( N_GC_SPC .GT. 0 ) THEN\n OFF = GC_STRT - 1\n DO V = 1, N_GC_SPC\n SPC = OFF + V\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n CGRID( C,R,L,SPC ) = CGRID( C,R,L,SPC ) * RHOJ( C,R,L )\n#ifdef sens\n DO NP = 1, NPMAX\n SENGRID( C,R,L,NP,SPC ) = SENGRID(C,R,L,NP,SPC) * RHOJ( C,R,L )\n END DO\n#endif\n END DO\n END DO\n END DO\n END DO\n END IF\n \n OFF = AE_STRT - 1\nC CGRID in ug/m**3 -> (\"total\" Jacobian [m]) X [Kg/m**3]\n IF ( NQAE .GT. 0 ) THEN\n DO V = 1, NQAE\n SPC = OFF + QAE( V )\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n CGRID( C,R,L,SPC ) = CGRID( C,R,L,SPC ) * JACOBM( C,R,L ) / CONV\n#ifdef sens \n DO NP = 1, NPMAX\n SENGRID( C,R,L,NP,SPC ) = SENGRID(C,R,L,NP,SPC) * JACOBM( C,R,L ) / CONV\n END DO\n#endif\n END DO\n END DO\n END DO\n END DO\n END IF\n\nC CGRID in #/m**3 -> (\"total\" Jacobian [m]) X [#/m**3]\n IF ( NNAE .GT. 0 ) THEN\n DO V = 1, NNAE\n SPC = OFF + NAE( V )\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n CGRID( C,R,L,SPC ) = CGRID( C,R,L,SPC ) * JACOBM( C,R,L )\n#ifdef sens \n DO NP = 1, NPMAX\n SENGRID( C,R,L,NP,SPC ) = SENGRID(C,R,L,NP,SPC) * JACOBM( C,R,L )\n END DO\n#endif \n END DO\n END DO\n END DO\n END DO\n END IF\n \nC CGRID in m**2/m**3 -> (\"total\" Jacobian [m]) X [m**2/m**3]\n IF ( NSAE .GT. 0 ) THEN\n DO V = 1, NSAE\n SPC = OFF + SAE( V )\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n CGRID( C,R,L,SPC ) = CGRID( C,R,L,SPC ) * JACOBM( C,R,L )\n#ifdef sens \n DO NP = 1, NPMAX\n SENGRID( C,R,L,NP,SPC ) = SENGRID(C,R,L,NP,SPC) * JACOBM( C,R,L )\n END DO\n#endif \n END DO\n END DO\n END DO\n END DO\n END IF\n\nC CGRID in mixing ratio [ppmV] -> (air density X \"total\" Jacobian) X mixing ratio [ppmV]\n IF ( N_NR_SPC .GT. 0 ) THEN\n OFF = NR_STRT - 1\n DO V = 1, N_NR_SPC\n SPC = OFF + V\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n CGRID( C,R,L,SPC ) = CGRID( C,R,L,SPC ) * RHOJ( C,R,L )\n#ifdef sens \n DO NP = 1, NPMAX\n SENGRID( C,R,L,NP,SPC ) = SENGRID(C,R,L,NP,SPC) * RHOJ( C,R,L )\n END DO\n#endif \n END DO\n END DO\n END DO\n END DO\n END IF\n \nC CGRID in mixing ratio [ppmV] -> (air density X \"total\" Jacobian) X mixing ratio [ppmV]\n IF ( N_TR_SPC .GT. 0 ) THEN\n OFF = TR_STRT - 1\n DO V = 1, N_TR_SPC \n SPC = OFF + V\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n CGRID( C,R,L,SPC ) = CGRID( C,R,L,SPC ) * RHOJ( C,R,L )\n#ifdef sens \n DO NP = 1, NPMAX\n SENGRID( C,R,L,NP,SPC ) = SENGRID(C,R,L,NP,SPC) * RHOJ( C,R,L )\n END DO\n#endif \n END DO\n END DO\n END DO\n END DO\n END IF\n\n\n#ifdef isam\n DO SPC = 1, NSPC_SA\n IF ( TRANSPORT_SPC( SPC ) ) THEN\n SPC_CGRID = MAP_SAtoCGR(SPC)\n IF ( SPC_CGRID .LE. N_GC_SPC .OR. SPC_CGRID .GE. NR_STRT ) THEN ! this is not an aerosol\n DO ITAG = 1, NTAG_SA\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n ISAM( C,R,L,SPC,ITAG ) = ISAM( C,R,L,SPC,ITAG ) * RHOJ( C,R,L )\n END DO\n END DO\n END DO\n END DO\n ELSE ! this is an aerosol (mass only)\n DO ITAG = 1, NTAG_SA\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n ISAM( C,R,L,SPC,ITAG ) = JACOBM( C,R,L ) * ISAM( C,R,L,SPC,ITAG ) / CONV\n END DO\n END DO\n END DO\n END DO\n END IF\n ENDIF\n END DO\n#endif\n\n\n RETURN\n \nC............................................................................\nC entry DECOUPLE\n \n ENTRY DECOUPLE ( CGRID, JDATE, JTIME, TSTEP )\n\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n\n IF ( N_AE_SPC .GT. 0 ) THEN\nC create aerosol species pointers to distinguish micro-grams/m**3,\nC #/m**3 (number density), and m**2/m**3 (surface area) species\n \n ALLOCATE ( QAE( N_AE_SPC ),\n & NAE( N_AE_SPC ),\n & SAE( N_AE_SPC ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating QAE, NAE, or SAE'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n NQAE = 0 ! no. of micro-grams/m**3 species\n NNAE = 0 ! no. of #/m**3 species\n NSAE = 0 ! no. of m**2/m**3 species\n! OFF = AE_STRT - 1\n OFF = 0\n DO SPC = 1, N_AE_SPC\n IF ( AE_SPC( SPC )( 1:3 ) .EQ. 'NUM' ) THEN\n NNAE = NNAE + 1\n NAE( NNAE ) = OFF + SPC\n ELSE IF ( AE_SPC( SPC )( 1:3 ) .EQ. 'SRF' ) THEN\n NSAE = NSAE + 1\n SAE( NSAE ) = OFF + SPC\n ELSE\n NQAE = NQAE + 1\n QAE( NQAE ) = OFF + SPC\n END IF\n END DO\n\n END IF\n\n END IF ! if firstime\n\n call interpolate_var ('DENSA_J', JDATE, JTIME, RHOJ)\n \n call interpolate_var ('JACOBM', JDATE, JTIME, JACOBM)\n \nC decouple for chemistry and diffusion\n \nC CGRID in mixing ratio [ppmV] X (air density X \"total\" Jacobian) -> mixing ratio [ppmV]\n IF ( N_GC_SPC .GT. 0 ) THEN\n OFF = GC_STRT - 1\n DO V = 1, N_GC_SPC\n SPC = OFF + V\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n CGRID( C,R,L,SPC ) = CGRID( C,R,L,SPC ) / RHOJ( C,R,L )\n#ifdef sens \n DO NP = 1, NPMAX\n SENGRID( C,R,L,NP,SPC ) = SENGRID(C,R,L,NP,SPC) / RHOJ( C,R,L )\n END DO\n#endif \n END DO\n END DO\n END DO\n END DO\n END IF\n \n OFF = AE_STRT - 1\nC CGRID in Jacobian [m] X [Kg/m**3] -> [ug/m**3]\n IF ( NQAE .GT. 0 ) THEN\n DO V = 1, NQAE\n SPC = OFF + QAE( V )\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n CGRID( C,R,L,SPC ) = CONV * CGRID( C,R,L,SPC ) / JACOBM( C,R,L )\n#ifdef sens \n DO NP = 1, NPMAX\n SENGRID( C,R,L,NP,SPC ) = CONV * SENGRID(C,R,L,NP,SPC) / JACOBM( C,R,L )\n END DO\n#endif \n END DO\n END DO\n END DO\n END DO\n END IF\n\nC CGRID in Jacobian [m] X [#/m**3] -> #/m**3\n IF ( NNAE .GT. 0 ) THEN\n DO V = 1, NNAE\n SPC = OFF + NAE( V )\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n CGRID( C,R,L,SPC ) = CGRID( C,R,L,SPC ) / JACOBM( C,R,L )\n#ifdef sens \n DO NP = 1, NPMAX\n SENGRID( C,R,L,NP,SPC ) = SENGRID(C,R,L,NP,SPC) / JACOBM( C,R,L )\n END DO\n#endif \n END DO\n END DO\n END DO\n END DO\n END IF\n \nC CGRID in Jacobian [m] X [m**2/m**3] -> m**2/m**3\n IF ( NSAE .GT. 0 ) THEN\n DO V = 1, NSAE\n SPC = OFF + SAE( V )\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n CGRID( C,R,L,SPC ) = CGRID( C,R,L,SPC ) / JACOBM( C,R,L )\n#ifdef sens \n DO NP = 1, NPMAX\n SENGRID( C,R,L,NP,SPC ) = SENGRID(C,R,L,NP,SPC) / JACOBM( C,R,L )\n END DO\n#endif \n END DO\n END DO\n END DO\n END DO\n END IF\n\nC CGRID in mixing ratio [ppmV] X (air density X \"total\" jacobian) -> mixing ratio [ppmV]\n IF ( N_NR_SPC .GT. 0 ) THEN\n OFF = NR_STRT - 1\n DO V = 1, N_NR_SPC\n SPC = OFF + V\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n CGRID( C,R,L,SPC ) = CGRID( C,R,L,SPC ) / RHOJ( C,R,L )\n#ifdef sens \n DO NP = 1, NPMAX\n SENGRID( C,R,L,NP,SPC ) = SENGRID(C,R,L,NP,SPC) / RHOJ( C,R,L )\n END DO\n#endif \n END DO\n END DO\n END DO\n END DO\n END IF\n \nC CGRID in mixing ratio [ppmV] X (air density X \"total\" jacobian) -> mixing ratio [ppmV]\n IF ( N_TR_SPC .GT. 0 ) THEN\n OFF = TR_STRT - 1\n DO V = 1, N_TR_SPC\n SPC = OFF + V\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n CGRID( C,R,L,SPC ) = CGRID( C,R,L,SPC ) / RHOJ( C,R,L )\n#ifdef sens \n DO NP = 1, NPMAX\n SENGRID( C,R,L,NP,SPC ) = SENGRID(C,R,L,NP,SPC) / RHOJ( C,R,L )\n END DO\n#endif \n END DO\n END DO\n END DO\n END DO\n END IF\n\n \n#ifdef isam\n DO SPC = 1, NSPC_SA\n IF ( TRANSPORT_SPC( SPC ) ) THEN\n SPC_CGRID = MAP_SAtoCGR(SPC)\n IF ( SPC_CGRID .LE. N_GC_SPC .OR. SPC_CGRID .GE. NR_STRT ) THEN ! this is not an aerosol\n DO ITAG = 1, NTAG_SA\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n ISAM( C,R,L,SPC,ITAG ) = ISAM( C,R,L,SPC,ITAG ) / RHOJ( C,R,L )\n END DO\n END DO\n END DO\n END DO\n ELSE ! this is an aerosol (mass only)\n DO ITAG = 1, NTAG_SA\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n ISAM( C,R,L,SPC,ITAG ) = CONV * ISAM( C,R,L,SPC,ITAG ) / JACOBM( C,R,L )\n END DO\n END DO\n END DO\n END DO\n END IF\n END IF\n END DO\n#endif \n \n \n \n \n RETURN\n END\n" }, { "path": "CCTM/src/couple/gencoor_wrf_cons/couplewrf.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE COUPLE ( CGRID, JDATE, JTIME, TSTEP )\n\nC-----------------------------------------------------------------------\nC Function:\nC Convert units and couple concentration values in CGRID for transport\n \nC Preconditions:\n \nC Subroutines and functions called:\nC INTERPX, M3EXIT\n \nC Revision History:\nC Jeff Sep 97 - leave gas chem, non-reactive and tracer species in\nC standard (ppmV) units for transport\nC 2 October, 1998 by Al Bourgeois at LM: parallel implementation\nC Jeff - Dec 00 - move CGRID_MAP into f90 module\nC 30 Mar 01 J.Young: dyn alloc - Use HGRD_DEFN; replace INTERP3 with INTERPX\nC - Jun 01 - update units conversion calls and comments\nC 31 Jan 05 J.Young: dyn alloc - establish both horizontal & vertical\nC domain specifications in one module\nC 21 Jun 10 J.Young: convert for Namelist redesign\nC 16 Feb 11 S.Roselle: replaced I/O API include files with UTILIO_DEFN;\nC removed deprecated TRIMLEN\nC 16 Sep 11 S.Roselle: for Pleim`s zadv-wrf blend\nC 11 Oct 11 J.Young: eliminate ppmv_msmr\nC 15 Nov 2018: L.Zhou, S.Napelenok: isam implementation\nC 01 Feb 19 D.Wong: Implemented centralized I/O approach, removed all\nC MY_N clauses\nC 10 July 19 F. Sidi: Renamed Subroutine\nC 09 Dec 19 S.L.Napelenok: ddm-3d implementation for cmaq v5.3.1\nC-----------------------------------------------------------------------\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE CGRID_SPCS ! CGRID mechanism species\n USE UTILIO_DEFN\n use CENTRALIZED_IO_MODULE, only : interpolate_var\n USE PA_DEFN, ONLY : COUPLE_WRF\n#ifdef isam\n USE SA_DEFN, ONLY: ISAM, NSPC_SA, NTAG_SA, MAP_SAtoCGR, TRANSPORT_SPC, ITAG\n#endif\n\n#ifdef sens\n USE DDM3D_DEFN, ONLY:SENGRID, NPMAX, NP\n#endif \n\n\n IMPLICIT NONE \n\nC Include files:\n INCLUDE SUBST_FILES_ID ! file name parameters\n\nC Arguments:\n! REAL :: CGRID( :,:,:,: ) ! concentrations\n REAL, POINTER :: CGRID( :,:,:,: ) ! concentrations\n INTEGER, INTENT( IN ) :: JDATE ! current model date, coded YYYYDDD\n INTEGER, INTENT( IN ) :: JTIME ! current model time, coded HHMMSS\n INTEGER, INTENT( IN ) :: TSTEP( 3 ) ! time step vector (HHMMSS)\n ! TSTEP(1) = local output step\n ! TSTEP(2) = sciproc sync. step (chem)\n ! TSTEP(3) = twoway model time step w.r.t.\n ! wrf time step and wrf/cmaq call frequency\nC Parameters:\n REAL, PARAMETER :: GPKG = 1.0E+03 ! g/kg\n REAL, PARAMETER :: MGPG = 1.0E+06 ! micro-g/g\n REAL, PARAMETER :: CONV = GPKG * MGPG\n\nC External Functions:\n\nC File Variables:\n REAL :: JACOBM( NCOLS,NROWS,NLAYS ) !\"total\" Jacobian\n REAL :: RHOJ ( NCOLS,NROWS,NLAYS ) !\"total\" Jacobian * air density\n\nC Local Variables:\n CHARACTER( 16 ) :: PNAME = 'COUPLE'\n CHARACTER( 16 ) :: VNAME\n CHARACTER( 96 ) :: XMSG = ' '\n\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n\n INTEGER, SAVE :: NQAE ! number of micro-grams/m**3 species\n INTEGER, SAVE :: NNAE ! number of #/m**3 species\n INTEGER, SAVE :: NSAE ! number of m**2/m**3 species\n INTEGER, ALLOCATABLE, SAVE :: QAE( : ) ! CGRID pointer to micro-grams/m**3 species\n INTEGER, ALLOCATABLE, SAVE :: NAE( : ) ! CGRID pointer to #/m**3 species\n INTEGER, ALLOCATABLE, SAVE :: SAE( : ) ! CGRID pointer to m**2/m**3 species\n\n INTEGER ALLOCSTAT\n\n INTEGER OFF ! loop offset to CGRID species\n INTEGER C, R, L, SPC, V ! loop counters\n\n#ifdef isam\n INTEGER :: SPC_CGRID\n#endif\n\nC-----------------------------------------------------------------------\n\nC If ISPCA .ne. 0, then air is advected and concs. are adjusted\n\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n\n COUPLE_WRF = .TRUE.\n IF ( N_AE_SPC .GT. 0 ) THEN\nC create aerosol species pointers to distinguish micro-grams/m**3,\nC #/m**3 (number density), and m**2/m**3 (surface area) species\n \n ALLOCATE ( QAE( N_AE_SPC ),\n & NAE( N_AE_SPC ),\n & SAE( N_AE_SPC ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating QAE, NAE, or SAE'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n NQAE = 0 ! no. of micro-grams/m**3 species\n NNAE = 0 ! no. of #/m**3 species\n NSAE = 0 ! no. of m**2/m**3 species\n! OFF = AE_STRT - 1\n OFF = 0\n DO SPC = 1, N_AE_SPC\n IF ( AE_SPC( SPC )( 1:3 ) .EQ. 'NUM' ) THEN\n NNAE = NNAE + 1\n NAE( NNAE ) = OFF + SPC\n ELSE IF ( AE_SPC( SPC )( 1:3 ) .EQ. 'SRF' ) THEN\n NSAE = NSAE + 1\n SAE( NSAE ) = OFF + SPC\n ELSE\n NQAE = NQAE + 1\n QAE( NQAE ) = OFF + SPC\n END IF\n END DO\n\n END if\n\n END IF ! if firstime\n\nC Read Jacobian X Air Density (Jacobian = sq. root det. metric tensor)\n\n call interpolate_var ('DENSA_J', jdate, jtime, RHOJ)\n \n call interpolate_var ('JACOBM', jdate, jtime, JACOBM)\n\nC couple for advection - use density times the square root of the determinant\nC of the metric tensor (the Jacobian) = RHOJ\n\nC CGRID in mixing ratio [ppmV] -> (air density X \"total\" Jacobian) X mixing ratio [ppmV]\n IF ( N_GC_SPC .GT. 0 ) THEN\n OFF = GC_STRT - 1\n DO V = 1, N_GC_TRNS\n SPC = OFF + GC_TRNS_MAP( V )\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n CGRID( C,R,L,SPC ) = CGRID( C,R,L,SPC ) * RHOJ( C,R,L )\n#ifdef sens\n DO NP = 1, NPMAX\n SENGRID( C,R,L,NP,SPC ) = SENGRID(C,R,L,NP,SPC) * RHOJ( C,R,L )\n END DO\n#endif\n END DO\n END DO\n END DO\n END DO\n END IF\n \nC initialize RhoJ from MCIP - done once per sync step\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n CGRID( C,R,L,RHOJ_LOC ) = RHOJ( C,R,L )\n#ifdef sens\n DO NP = 1, NPMAX\n SENGRID( C,R,L,NP,RHOJ_LOC ) = 0.0\n END DO\n#endif\n END DO\n END DO\n END DO\n\n OFF = AE_STRT - 1\nC CGRID in ug/m**3 -> (\"total\" Jacobian [m]) X [Kg/m**3]\n IF ( NQAE .GT. 0 ) THEN\n DO V = 1, NQAE\n SPC = OFF + AE_TRNS_MAP( QAE( V ) )\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n CGRID( C,R,L,SPC ) = JACOBM( C,R,L ) * CGRID( C,R,L,SPC ) / CONV\n#ifdef sens \n DO NP = 1, NPMAX\n SENGRID( C,R,L,NP,SPC ) = JACOBM( C,R,L ) * SENGRID(C,R,L,NP,SPC) / CONV\n END DO\n#endif\n END DO\n END DO\n END DO\n END DO\n END IF\n\nC CGRID in #/m**3 -> (\"total\" Jacobian [m]) X [#/m**3]\n IF ( NNAE .GT. 0 ) THEN\n DO V = 1, NNAE\n SPC = OFF + AE_TRNS_MAP( NAE( V ) )\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n CGRID( C,R,L,SPC ) = JACOBM( C,R,L ) * CGRID( C,R,L,SPC )\n#ifdef sens \n DO NP = 1, NPMAX\n SENGRID( C,R,L,NP,SPC ) = JACOBM( C,R,L ) * SENGRID(C,R,L,NP,SPC)\n END DO\n#endif \n END DO\n END DO\n END DO\n END DO\n END IF\n\nC CGRID in m**2/m**3 -> (\"total\" Jacobian [m]) X [m**2/m**3]\n IF ( NSAE .GT. 0 ) THEN\n DO V = 1, NSAE\n SPC = OFF + AE_TRNS_MAP( SAE( V ) )\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n CGRID( C,R,L,SPC ) = JACOBM( C,R,L ) * CGRID( C,R,L,SPC )\n#ifdef sens \n DO NP = 1, NPMAX\n SENGRID( C,R,L,NP,SPC ) = JACOBM( C,R,L ) * SENGRID(C,R,L,NP,SPC)\n END DO\n#endif \n END DO\n END DO\n END DO\n END DO\n END IF\n\nC CGRID in mixing ratio [ppmV] -> (air density X \"total\" Jacobian) X mixing ratio [ppmV]\n IF ( N_NR_SPC .GT. 0 ) THEN\n OFF = NR_STRT - 1\n DO V = 1, N_NR_TRNS\n SPC = OFF + NR_TRNS_MAP( V )\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n CGRID( C,R,L,SPC ) = CGRID( C,R,L,SPC ) * RHOJ( C,R,L )\n#ifdef sens \n DO NP = 1, NPMAX\n SENGRID( C,R,L,NP,SPC ) = SENGRID(C,R,L,NP,SPC)* RHOJ( C,R,L )\n END DO\n#endif \n END DO\n END DO\n END DO\n END DO\n END IF\n \nC CGRID in mixing ratio [ppmV] -> (air density X \"total\" Jacobian) X mixing ratio [ppmV]\n IF ( N_TR_SPC .GT. 0 ) THEN\n OFF = TR_STRT - 1\n DO V = 1, N_TR_SPC\n SPC = OFF + V\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n CGRID( C,R,L,SPC ) = CGRID( C,R,L,SPC ) * RHOJ( C,R,L )\n#ifdef sens \n DO NP = 1, NPMAX\n SENGRID( C,R,L,NP,SPC ) = SENGRID(C,R,L,NP,SPC) * RHOJ( C,R,L )\n END DO\n#endif \n END DO\n END DO\n END DO\n END DO\n END IF\n\n#ifdef isam\n DO SPC = 1, NSPC_SA\n IF ( TRANSPORT_SPC( SPC ) ) THEN\n SPC_CGRID = MAP_SAtoCGR(SPC)\n IF ( SPC_CGRID .LE. N_GC_SPC .OR. SPC_CGRID .GE. NR_STRT ) THEN ! this is not an aerosol\n DO ITAG = 1, NTAG_SA\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n ISAM( C,R,L,SPC,ITAG ) = ISAM( C,R,L,SPC,ITAG ) * RHOJ( C,R,L )\n END DO\n END DO\n END DO\n END DO\n ELSE ! this is an aerosol (mass only)\n DO ITAG = 1, NTAG_SA\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n ISAM( C,R,L,SPC,ITAG ) = JACOBM( C,R,L ) * ISAM( C,R,L,SPC,ITAG ) / CONV\n END DO\n END DO\n END DO\n END DO\n END IF\n ENDIF\n END DO\n#endif\n\n RETURN\n \nC............................................................................\nC entry DECOUPLE\n \n ENTRY DECOUPLE ( CGRID, JDATE, JTIME, TSTEP )\n\n call interpolate_var ('JACOBM', jdate, jtime, JACOBM)\n \nC retrieve transported RhoJ\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n RHOJ( C,R,L ) = CGRID( C,R,L,RHOJ_LOC )\n END DO\n END DO\n END DO\n !call interpolate_var ('DENSA_J', JDATE, JTIME, RHOJ)\n\nC decouple for chemistry and diffusion\n \nC CGRID in mixing ratio [ppmV] X (air density X \"total\" Jacobian) -> mixing ratio [ppmV]\n IF ( N_GC_SPC .GT. 0 ) THEN\n OFF = GC_STRT - 1\n DO V = 1, N_GC_TRNS\n SPC = OFF + GC_TRNS_MAP( V )\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n CGRID( C,R,L,SPC ) = CGRID( C,R,L,SPC ) / RHOJ( C,R,L )\n#ifdef sens \n DO NP = 1, NPMAX\n SENGRID( C,R,L,NP,SPC ) = SENGRID(C,R,L,NP,SPC) / RHOJ( C,R,L )\n END DO\n#endif \n END DO\n END DO\n END DO\n END DO\n END IF\n \n OFF = AE_STRT - 1\nC CGRID in Jacobian [m]) X [Kg/m**3] -> [ug/m**3]\n IF ( NQAE .GT. 0 ) THEN\n DO V = 1, NQAE\n SPC = OFF + AE_TRNS_MAP( QAE( V ) )\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n CGRID( C,R,L,SPC ) = CONV * CGRID( C,R,L,SPC ) / JACOBM( C,R,L )\n#ifdef sens \n DO NP = 1, NPMAX\n SENGRID( C,R,L,NP,SPC ) = CONV * SENGRID(C,R,L,NP,SPC) / JACOBM( C,R,L )\n END DO\n#endif \n END DO\n END DO\n END DO\n END DO\n END IF\n\nC CGRID in Jacobian [m] X [#/m**3] -> #/m**3\n IF ( NNAE .GT. 0 ) THEN\n DO V = 1, NNAE\n SPC = OFF + AE_TRNS_MAP( NAE( V ) )\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n CGRID( C,R,L,SPC ) = CGRID( C,R,L,SPC ) / JACOBM( C,R,L )\n#ifdef sens \n DO NP = 1, NPMAX\n SENGRID( C,R,L,NP,SPC ) = SENGRID(C,R,L,NP,SPC) / JACOBM( C,R,L )\n END DO\n#endif \n END DO\n END DO\n END DO\n END DO\n END IF\n\nC CGRID in Jacobian [m] X [m**2/m**3] -> m**2/m**3\n IF ( NSAE .GT. 0 ) THEN\n DO V = 1, NSAE\n SPC = OFF + AE_TRNS_MAP( SAE( V ) )\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n CGRID( C,R,L,SPC ) = CGRID( C,R,L,SPC ) / JACOBM( C,R,L )\n#ifdef sens \n DO NP = 1, NPMAX\n SENGRID( C,R,L,NP,SPC ) = SENGRID(C,R,L,NP,SPC) / JACOBM( C,R,L )\n END DO\n#endif \n END DO\n END DO\n END DO\n END DO\n END IF\n\nC CGRID in mixing ratio [ppmV] X (air density X \"total\" jacobian) -> mixing ratio [ppmV]\n IF ( N_NR_SPC .GT. 0 ) THEN\n OFF = NR_STRT - 1\n DO V = 1, N_NR_TRNS\n SPC = OFF + NR_TRNS_MAP( V )\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n CGRID( C,R,L,SPC ) = CGRID( C,R,L,SPC ) / RHOJ( C,R,L )\n#ifdef sens \n DO NP = 1, NPMAX\n SENGRID( C,R,L,NP,SPC ) = SENGRID(C,R,L,NP,SPC) / RHOJ( C,R,L )\n END DO\n#endif \n END DO\n END DO\n END DO\n END DO\n END IF\n \nC CGRID in mixing ratio [ppmV] X (air density X \"total\" jacobian) -> mixing ratio [ppmV]\n IF ( N_TR_SPC .GT. 0 ) THEN\n OFF = TR_STRT - 1\n DO V = 1, N_TR_SPC\n SPC = OFF + V\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n CGRID( C,R,L,SPC ) = CGRID( C,R,L,SPC ) / RHOJ( C,R,L )\n#ifdef sens \n DO NP = 1, NPMAX\n SENGRID( C,R,L,NP,SPC ) = SENGRID(C,R,L,NP,SPC) / RHOJ( C,R,L )\n END DO\n#endif \n END DO\n END DO\n END DO\n END DO\n END IF\n\n#ifdef isam\n DO SPC = 1, NSPC_SA\n IF ( TRANSPORT_SPC( SPC ) ) THEN\n SPC_CGRID = MAP_SAtoCGR(SPC)\n IF ( SPC_CGRID .LE. N_GC_SPC .OR. SPC_CGRID .GE. NR_STRT ) THEN ! this is not an aerosol\n DO ITAG = 1, NTAG_SA\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n ISAM( C,R,L,SPC,ITAG ) = ISAM( C,R,L,SPC,ITAG ) / RHOJ( C,R,L )\n END DO\n END DO\n END DO\n END DO\n ELSE ! this is an aerosol (mass only)\n DO ITAG = 1, NTAG_SA\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n ISAM( C,R,L,SPC,ITAG ) = CONV * ISAM( C,R,L,SPC,ITAG ) / JACOBM( C,R,L )\n END DO\n END DO\n END DO\n END DO\n END IF\n END IF\n END DO\n#endif\n\n RETURN\n END\n" }, { "path": "CCTM/src/ddm3d/AERO_DDM3D.F", "content": "#ifdef sens\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n Module aero_ddm3d\n\nC-----------------------------------------------------------------------\nC 15 Aug 13 S.L.Napelenok: initial version\nC 30 Dec 19 S.L.Napelenok: update for cmaq 5.3.1\nC-----------------------------------------------------------------------\n\n Use ddm3d_defn, Only : npmax\n\n Implicit None\n\nc These parameters have to match what is found in the following modules:\nc aero_data, precursor_data, soa_defn\n\n Real( 8 ), Allocatable, Save :: s_aerospc_conc( :,:,: ) ! aero species sensitivity [ ug/m^3 ]\n\n Real( 8 ), Allocatable, Save :: s_precursor_conc( :,: ) ! precursor sensitivity [ug/m^3]\n Real( 8 ), Allocatable, Save :: s_so4rate( : )\n Real( 8 ), Allocatable, Save :: s_phg_rate( : ) ! particulate mercury gas-phase production rate [ug/m^3*s]\nc Real( 8 ), Allocatable, Save :: s_xh2so4( : ) \n\n Real( 8 ), Allocatable, Save :: og_sens( :,: ) ! vapors sensitivity\n Real( 8 ), Allocatable, Save :: rog_dsens( :,: ) ! reaction counters senstivity\n\n Logical, Save :: ae_ddm3d_ready = .False.\n\n Real( 8 ) :: cbsens\n\n\n Logical, Save :: wrt_flag = .False.\n\n Contains\nC-----------------------------------------------------------------------\n \n Subroutine init_aero_ddm3d\n\n Use UTILIO_DEFN\n\n Implicit None\n\n Character( 96 ) :: xmsg = ''\n Integer allocstat\n Integer logdev\n\n logdev = init3()\n\n Allocate ( s_so4rate( npmax ), stat = allocstat )\n If ( allocstat .Ne. 0 ) then\n xmsg = 'Failure allocating s_so4rate'\n Call m3exit ( 'init_aero_ddm3d', 0, 0, xmsg, xstat2 )\n End If\n\n Allocate ( s_phg_rate( npmax ), stat = allocstat )\n If ( allocstat .Ne. 0 ) then\n xmsg = 'Failure allocating s_phg_rate'\n Call m3exit ( 'init_aero_ddm3d', 0, 0, xmsg, xstat2 )\n End If\n\nc Allocate ( s_xh2so4( npmax ), stat = allocstat )\nc If ( allocstat .Ne. 0 ) then\nc xmsg = 'Failure allocating s_xh2so4'\nc Call m3exit ( 'init_aero_ddm3d', 0, 0, xmsg, xstat2 )\nc End If\n\n ae_ddm3d_ready = .True.\n\n Return\n End Subroutine init_aero_ddm3d\n\nC-----------------------------------------------------------------------\n\n End Module aero_ddm3d\n\n#endif\n\n" }, { "path": "CCTM/src/ddm3d/AQCHEM_DDM3D.EXT", "content": "\n! 16 Jul 13 S.Napelenok: initial version for ddm-3d implementation for cmaq5.0.1\n! 9 Sep 22 S.Napelenok: comment out currently unused variables\n\nc REAL( 8 ) :: S_DEPSUM( NPMAX )\n REAL( 8 ) :: S_A( NPMAX ) ! iron's anion concentration\nc REAL( 8 ) :: S_AC( NPMAX ) ! H+ concentration in cloudwater (mol/liter)\nc REAL( 8 ) :: S_ACT1( NPMAX ) ! activity correction factor, single ions\nc REAL( 8 ) :: S_ACT2( NPMAX ) ! activity factor correction, double ions\nc REAL( 8 ) :: S_ACTB( NPMAX ) !\nc REAL( 8 ) :: S_AE( NPMAX ) ! guess for H+ conc in cloudwater (mol/liter)\n REAL( 8 ) :: S_B( NPMAX ) ! manganese's anion concentration\nc REAL( 8 ) :: S_PRES_ATM( NPMAX ) ! pressure (Atm)\nc REAL( 8 ) :: S_BB( NPMAX ) ! lower limit guess of cloudwater pH\n REAL( 8 ) :: S_CA( NPMAX ) ! Calcium conc in cloudwater (mol/liter)\n REAL( 8 ) :: S_CL( NPMAX ) ! total Cl- conc in cloudwater (mol/liter)\n REAL( 8 ) :: S_CLACC( NPMAX ) ! fine Cl- in cloudwater (mol/liter)\n REAL( 8 ) :: S_CLCOR( NPMAX ) ! coarse Cl- conc in cloudwater (mol/liter)\nc REAL( 8 ) :: S_CO2H( NPMAX ) ! Henry's Law constant for CO2\nc REAL( 8 ) :: S_CO21( NPMAX ) ! First dissociation constant for CO2\nc REAL( 8 ) :: S_CO22( NPMAX ) ! Second dissociation constant for CO2\nc REAL( 8 ) :: S_CO212( NPMAX ) ! CO21*CO22\nc REAL( 8 ) :: S_CO212H( NPMAX ) ! CO2H*CO21*CO22\nc REAL( 8 ) :: S_CO21H( NPMAX ) ! CO2H*CO21\n REAL( 8 ) :: S_CO2L( NPMAX ) ! CO2 conc in cloudwater (mol/liter)\n REAL( 8 ) :: S_CO3( NPMAX ) ! CO3= conc in cloudwater (mol/liter)\nc REAL( 8 ) :: S_CTHK1( NPMAX ) ! cloud thickness (m)\nc REAL( 8 ) :: S_DSIV_SCALE( NPMAX ) ! mass conservation scale factor for S(IV)\nc REAL( 8 ) :: S_DTRMV( NPMAX ) !\n REAL( 8 ) :: S_DTS6( NPMAX ) !\n REAL( 8 ) :: S_DGLYDT( NPMAX ) ! change in GLY (mol/liter/sec)\n REAL( 8 ) :: S_DMGLYDT( NPMAX ) ! change in MGLY (mol/liter/sec)\n REAL( 8 ) :: S_DGLY1( NPMAX ) ! change due to Rxn. in GLY for DTW(0) time step\n REAL( 8 ) :: S_DMGLY1( NPMAX ) ! change due to Rxn. in MGLY for DTW(0) time step\n REAL( 8 ) :: S_DORGC( NPMAX ) ! change in ORGC for DTW(0) time step (mol/liter)\nc REAL( 8 ) :: S_EBETASO4T( NPMAX ) ! EXP( -BETASO4 * TAUCLD )\nc REAL( 8 ) :: S_EALFA0T( NPMAX ) ! EXP( -ALFA0 * TAUCLD )\nc REAL( 8 ) :: S_EALFA2T( NPMAX ) ! EXP( -ALFA2 * TAUCLD )\nc REAL( 8 ) :: S_EALFA3T( NPMAX ) ! EXP( -ALFA3 * TAUCLD )\n REAL( 8 ) :: S_EC( NPMAX ) ! elemental carbon acc+akn aerosol in cloudwater (mol/liter)\nc REAL( 8 ) :: S_FA( NPMAX ) ! functional value ??\nc REAL( 8 ) :: S_FB( NPMAX ) ! functional value ??\n REAL( 8 ) :: S_FE( NPMAX ) ! Fe+++ conc in cloudwater (mol/liter)\n REAL( 8 ) :: S_FNH3( NPMAX ) ! frac weight of NH3 to total ammonia\n REAL( 8 ) :: S_FNH4ACC( NPMAX ) ! frac weight of NH4 acc to total ammonia\n REAL( 8 ) :: S_FHNO3( NPMAX ) ! frac weight of HNO3 to total NO3\n REAL( 8 ) :: S_FNO3ACC( NPMAX ) ! frac weight of NO3 acc to total NO3\nc REAL( 8 ) :: S_FRACLIQ( NPMAX ) ! fraction of water in liquid form\nc REAL( 8 ) :: S_FOA1( NPMAX ) ! First dissociation constant for FOA (Formic Acid)\nc REAL( 8 ) :: S_FOAH( NPMAX ) ! Henry's Law constant for FOA\nc REAL( 8 ) :: S_FOA1H( NPMAX ) ! FOAH*FOA1\n REAL( 8 ) :: S_FOAL( NPMAX ) ! FOA conc in cloudwater (mol/liter)\nc REAL( 8 ) :: S_FTST( NPMAX ) !\nc REAL( 8 ) :: S_GLYH( NPMAX ) ! Henry's Law constant for glyoxal\n REAL( 8 ) :: S_GLYL( NPMAX ) ! glyoxal conc in cloud water (mol/liter)\nc REAL( 8 ) :: S_GM( NPMAX ) !\nc REAL( 8 ) :: S_GM1( NPMAX ) !\nc REAL( 8 ) :: S_GM1LOG( NPMAX ) !\nc REAL( 8 ) :: S_GM2( NPMAX ) ! activity correction factor\nc REAL( 8 ) :: S_GM2LOG( NPMAX ) !\nc REAL( 8 ) :: S_HA( NPMAX ) !\nc REAL( 8 ) :: S_HB( NPMAX ) !\nc REAL( 8 ) :: S_H2OW( NPMAX ) !\nc REAL( 8 ) :: S_H2O2H( NPMAX ) ! Henry's Law Constant for H2O2\n REAL( 8 ) :: S_H2O2L( NPMAX ) ! H2O2 conc in cloudwater (mol/liter)\nc REAL( 8 ) :: S_HCLH( NPMAX ) ! Henry's Law Constant for HCL\nc REAL( 8 ) :: S_HCL1( NPMAX ) ! First dissociation constant for HCL\nc REAL( 8 ) :: S_HCL1H( NPMAX ) ! HCL1*HCLH\n REAL( 8 ) :: S_HCLL( NPMAX ) ! HCl conc in cloudwater (mol/liter)\n REAL( 8 ) :: S_HCO2( NPMAX ) ! HCO2 conc in cloudwater (mol/liter)\n REAL( 8 ) :: S_HCO3( NPMAX ) ! HCO3 conc in cloudwater (mol/liter)\nc REAL( 8 ) :: S_HNO3H( NPMAX ) ! Henry's Law Constant for HNO3\nc REAL( 8 ) :: S_HNO31( NPMAX ) ! First dissociation constant for HNO3\nc REAL( 8 ) :: S_HNO31H( NPMAX ) !\n REAL( 8 ) :: S_HNO3L( NPMAX ) ! HNO3 conc in cloudwater (mol/liter)\nc REAL( 8 ) :: S_HOH( NPMAX ) ! Henry's Law Constant for HO\n REAL( 8 ) :: S_HSO3( NPMAX ) ! HSO3 conc in cloudwater (mol/liter)\n REAL( 8 ) :: S_HSO4( NPMAX ) ! HSO4 concn in cloudwater (mol/liter)\n REAL( 8 ) :: S_HSO4ACC( NPMAX ) ! accumulation mode HSO4 concn in cloudwater (mol/liter)\n REAL( 8 ) :: S_HSO4COR( NPMAX ) ! coarse HSO4 concn in cloudwater (mol/liter)\nc REAL( 8 ) :: S_HTST( NPMAX ) !\n REAL( 8 ) :: S_K( NPMAX ) ! K conc in cloudwater (mol/liter)\nc REAL( 8 ) :: S_LGTEMP( NPMAX ) ! log of TEMP\n REAL( 8 ) :: S_MG( NPMAX ) !\nc REAL( 8 ) :: S_MGLYH( NPMAX ) ! Henry's Law Constant for methylglyoxal\n REAL( 8 ) :: S_MGLYL( NPMAX ) ! MGLY conc in cloud water (mol/liter)\nc REAL( 8 ) :: S_MHPH( NPMAX ) ! Henry's Law Constant for MHP\n REAL( 8 ) :: S_MHPL( NPMAX ) ! MHP conc in cloudwater (mol/liter)\n REAL( 8 ) :: S_MN( NPMAX ) ! Mn++ conc in cloudwater (mol/liter)\n REAL( 8 ) :: S_NA( NPMAX ) ! Na conc in cloudwater (mol/liter)\n REAL( 8 ) :: S_NAACC( NPMAX ) ! Na in cloudwater (mol/liter)\n REAL( 8 ) :: S_NACOR( NPMAX ) ! coarse Na in cloudwater (mol/liter)\nc REAL( 8 ) :: S_NH31( NPMAX ) ! First dissociation constant for NH3\nc REAL( 8 ) :: S_NH3H( NPMAX ) ! Henry's Law Constant for NH3\nc REAL( 8 ) :: S_NH3DH20( NPMAX ) !\nc REAL( 8 ) :: S_NH31HDH( NPMAX ) !\n REAL( 8 ) :: S_NH3L( NPMAX ) ! NH3 conc in cloudwater (mol/liter)\n REAL( 8 ) :: S_NH4( NPMAX ) ! NH4+ conc in cloudwater (mol/liter)\n REAL( 8 ) :: S_NH4ACC( NPMAX ) ! NH4 acc conc in cloudwater (mol/liter)\n REAL( 8 ) :: S_NH4COR( NPMAX ) ! NH4 coarse conc in cloudwater (mol/liter)\nc REAL( 8 ) :: S_NITAER( NPMAX ) ! total aerosol nitrate\n REAL( 8 ) :: S_NO3( NPMAX ) ! NO3 conc in cloudwater (mol/liter)\n REAL( 8 ) :: S_NO3ACC( NPMAX ) ! NO3 acc conc in cloudwater (mol/liter)\n REAL( 8 ) :: S_NO3COR( NPMAX ) ! NO3 coarse conc in cloudwater (mol/liter)\n REAL( 8 ) :: S_NUMCOR( NPMAX ) ! coarse aerosol number in cloudwater (mol/liter)\nc REAL( 8 ) :: S_O3H( NPMAX ) ! Henry's Law Constant for O3\n REAL( 8 ) :: S_O3L( NPMAX ) ! O3 conc in cloudwater (mol/liter)\nc REAL( 8 ) :: S_OH( NPMAX ) ! OH conc in cloudwater (mol/liter)\n REAL( 8 ) :: S_OHL( NPMAX ) ! OH radical conc in cloudwater (mol/liter)\n REAL( 8 ) :: S_SOA( NPMAX ) ! secondary organic aerosol in cloudwater (mol/liter)\n REAL( 8 ) :: S_ORGC( NPMAX ) ! cloud-produced SOA in cloudwater (treated as primary)\n REAL( 8 ) :: S_POA( NPMAX ) ! primary organic aerosol in cloudwater (mol/liter)\nc REAL( 8 ) :: S_PAAH( NPMAX ) ! Henry's Law Constant for PAA\n REAL( 8 ) :: S_PAAL( NPMAX ) ! PAA conc in cloudwater (mol/liter)\n REAL( 8 ) :: S_PCO2F( NPMAX ) ! gas only CO2 partial pressure (atm)\n REAL( 8 ) :: S_PFOAF( NPMAX ) ! gas only ORGANIC ACID partial press (atm)\n REAL( 8 ) :: S_PGLYF( NPMAX ) ! gas only GLY partial pressure (atm)\n REAL( 8 ) :: S_PH2O2F( NPMAX ) ! gas only H2O2 partial pressure (atm)\n REAL( 8 ) :: S_PHCLF( NPMAX ) ! gas only HCL partial pressure (atm)\n REAL( 8 ) :: S_PHNO3F( NPMAX ) ! gas only HNO3 partial pressure (atm)\n REAL( 8 ) :: S_PHOF( NPMAX ) ! gas only HO partial pressure (atm)\n REAL( 8 ) :: S_PMGLYF( NPMAX ) ! gas only MGLY parital pressure (atm)\n REAL( 8 ) :: S_PMHPF( NPMAX ) ! gas only MHP partial pressure (atm)\n REAL( 8 ) :: S_PNH3F( NPMAX ) ! gas only NH3 partial pressure (atm)\n REAL( 8 ) :: S_PO3F( NPMAX ) ! gas only O3 partial pressure (atm)\n REAL( 8 ) :: S_PPAAF( NPMAX ) ! gas only PAA partial pressure (atm)\n REAL( 8 ) :: S_PRIM( NPMAX ) ! PRIMARY acc+akn aerosol in cloudwater (mol/liter)\n REAL( 8 ) :: S_PSO2F( NPMAX ) ! gas only SO2 partial pressure (atm)\nc REAL( 8 ) :: S_RATE( NPMAX ) !\nc REAL( 8 ) :: S_RECIPA1( NPMAX ) !\nc REAL( 8 ) :: S_RECIPA2( NPMAX ) !\nc REAL( 8 ) :: S_RECIPAP1( NPMAX ) ! one over pressure (/atm)\nc REAL( 8 ) :: S_RGLY3( NPMAX ) ! liter/(mol sec)\nc REAL( 8 ) :: S_RH2O2( NPMAX ) !\nc REAL( 8 ) :: S_RMGLY3( NPMAX ) ! liter/(mol sec)\nc REAL( 8 ) :: S_RMHP( NPMAX ) !\nc REAL( 8 ) :: S_RPAA( NPMAX ) !\nc REAL( 8 ) :: S_RT( NPMAX ) ! gas const * temperature (liter atm/mol)\nc REAL( 8 ),SAVE :: S_SCVEFF( NPMAX ) = 100.0D0 ! Scavenging efficiency (%)\n REAL( 8 ) :: S_SIV( NPMAX ) ! dissolved so2 in cloudwater (mol/liter)\nc REAL( 8 ) :: S_SK6( NPMAX ) !\n REAL( 8 ) :: S_SK6TS6( NPMAX ) !\nc REAL( 8 ) :: S_SO21( NPMAX ) ! First dissociation constant for SO2\nc REAL( 8 ) :: S_SO22( NPMAX ) ! Second dissociation constant for SO2\nc REAL( 8 ) :: S_SO2H( NPMAX ) ! Henry's Law Constant for SO2\nc REAL( 8 ) :: S_SO212( NPMAX ) ! SO21*SO22\nc REAL( 8 ) :: S_SO212H( NPMAX ) ! SO21*SO22*SO2H\nc REAL( 8 ) :: S_SO21H( NPMAX ) ! SO21*SO2H\n REAL( 8 ) :: S_SO2L( NPMAX ) ! SO2 conc in cloudwater (mol/liter)\n REAL( 8 ) :: S_SO3( NPMAX ) ! SO3= conc in cloudwater (mol/liter)\n REAL( 8 ) :: S_SO4( NPMAX ) ! SO4= conc in cloudwater (mol/liter)\n REAL( 8 ) :: S_SO4ACC( NPMAX ) ! accumulation mode SO4= conc in cloudwater (mol/liter)\n REAL( 8 ) :: S_SO4COR( NPMAX ) ! coarse SO4= conc in cloudwater (mol/liter)\nc REAL( 8 ) :: S_STION( NPMAX ) ! ionic strength\nc REAL( 8 ) :: S_TAC( NPMAX ) !\nc REAL( 8 ) :: S_TEMP1( NPMAX ) ! (1/T) - (1/298) (1/K)\nc REAL( 8 ) :: S_TIMEW( NPMAX ) ! cloud chemistry clock (sec)\n REAL( 8 ) :: S_TGLY( NPMAX ) ! total glyoxal available for oxidation\n REAL( 8 ) :: S_TMGLY( NPMAX ) ! total methylglyoxal available for oxidation\nc REAL( 8 ) :: S_TOTOX( NPMAX ) !\n REAL( 8 ) :: S_TH2O2( NPMAX )\n REAL( 8 ) :: S_TO3( NPMAX )\n REAL( 8 ) :: S_TMHP( NPMAX )\n REAL( 8 ) :: S_TPAA( NPMAX )\n REAL( 8 ) :: S_TOTAMM( NPMAX ) ! total ammonium\n REAL( 8 ) :: S_TOTNIT( NPMAX ) ! total nitrate (excluding coarse mode)\n REAL( 8 ) :: S_TS6( NPMAX ) ! SO4 conc in cloudwater (mol/liter)\n REAL( 8 ) :: S_TS6ACC( NPMAX ) ! SO4 acc conc in cloudwater (mol/liter)\n REAL( 8 ) :: S_TS6COR( NPMAX ) ! coarse SO4 conc in cloudwater (mol/liter)\n REAL( 8 ) :: S_TSIV( NPMAX ) ! total S(iv) available for oxidation\nc REAL( 8 ) :: S_TST( NPMAX ) !\nc REAL( 8 ) :: S_TWASH( NPMAX ) ! washout time for clouds (sec)\nc REAL( 8 ) :: S_WETFAC( NPMAX ) ! converts mol/l to mm-mol/l based on precip\nc REAL( 8 ) :: S_XC1( NPMAX ) ! (/mm)\nc REAL( 8 ) :: S_XC2( NPMAX ) ! (liter-atm/mol/mm)\nc REAL( 8 ) :: S_XL( NPMAX ) ! conversion factor (liter-atm/mol)\nc REAL( 8 ) :: S_ONE_OVER_XL( NPMAX ) ! 1.0 / XL\nc REAL( 8 ) :: S_PRES_ATM_OVER_XL( NPMAX ) ! PRES_ATM / XL\nc REAL( 8 ) :: S_XLCO2( NPMAX ) !\nc REAL( 8 ) :: S_XLH2O2( NPMAX ) !\nc REAL( 8 ) :: S_XLHCL( NPMAX ) ! const in calc of HCL final partial pres\nc REAL( 8 ) :: S_XLHNO3( NPMAX ) !\nc REAL( 8 ) :: S_XLMHP( NPMAX ) !\nc REAL( 8 ) :: S_XLNH3( NPMAX ) !\nc REAL( 8 ) :: S_XLO3( NPMAX ) !\nc REAL( 8 ) :: S_XLPAA( NPMAX ) !\nc REAL( 8 ) :: S_XLSO2( NPMAX ) !\n REAL( 8 ) :: S_CAACC( NPMAX ) ! accumulation mode Calcium (AE6) SLN 16March2011 \n REAL( 8 ) :: S_MGACC( NPMAX ) ! accumulation mode Magnesium (AE6) SLN 16March2011 \n REAL( 8 ) :: S_KACC( NPMAX ) ! accumulation mode Potassium (AE6) SLN 16March2011 \n REAL( 8 ) :: S_CACOR( NPMAX ) ! coarse mode Calcium (AE6) SLN 16March2011\n REAL( 8 ) :: S_MGCOR( NPMAX ) ! coarse mode Magnesium (AE6) SLN 16March2011\n REAL( 8 ) :: S_KCOR( NPMAX ) ! coarse mode Potassium (AE6) SLN 16March2011\n REAL( 8 ) :: S_SOILCOR( NPMAX ) ! coarse mode SOIL (AE6) SLN 16March2011\n REAL( 8 ) :: S_ANTHCOR( NPMAX ) ! coarse mode CORS (AE6) SLN 16March2011\n REAL( 8 ) :: S_SEASCOR( NPMAX ) ! coarse mode SEAS (AE6) SLN 16March2011\n REAL( 8 ) :: S_FEACC( NPMAX ) ! accumulation mode Fe (AE6) SLN 22March2011\n REAL( 8 ) :: S_MNACC( NPMAX ) ! accumulation mode Fe (AE6) SLN 22March2011\n REAL( 8 ) :: S_FECOR( NPMAX ) ! coarse mode Mn (AE6) SLN 22March2011\n REAL( 8 ) :: S_MNCOR( NPMAX ) ! coarse mode Mn (AE6) SLN 22March2011\n REAL( 8 ) :: S_FE_OX( NPMAX ) ! Fe(III) available for sulfate oxidation\n REAL( 8 ) :: S_MN_OX( NPMAX ) ! Mn(II) available for sulfate oxidation\nc REAL( 8 ) :: S_FE_III( NPMAX ) ! Fractional Fe(III) partitioning, GS - July 1, 2011\nc REAL( 8 ) :: S_MN_II( NPMAX ) ! Fractional Mn(II) partitioning, GS - July 1, 2011\nc REAL( 8 ) :: S_FE_SOL( NPMAX ) ! Fractional Fe solubility, GS - July 1, 2011\nc REAL( 8 ) :: S_MN_SOL( NPMAX ) ! Fractional Mn solubility, GS - July 1, 2011\n REAL( 8 ) :: S_LIQUID( NPMAX, NLIQS ) ! wet deposition array (mm mol/liter)\n REAL( 8 ) :: S_WETDEP( NPMAX, NLIQS ) ! wet deposition array (mm mol/liter)\n REAL( 8 ) :: S_LOADING( NPMAX, NAER, NMODES ) ! aerosol loading (mol/liter)\n REAL( 8 ) :: S_INITGAS( NPMAX, NGAS ) ! initial gas partial pressure (atm) \n REAL( 8 ) :: S_DSIVDT( NPMAX, 0:NUMOX ) ! rate of so2 oxid incloud (mol/liter/sec)\n REAL( 8 ) :: S_DS4 ( NPMAX, 0:NUMOX ) ! S(IV) oxidized over timestep DTW(0)\nc REAL( 8 ) :: S_DTW ( NPMAX, 0:NUMOX ) ! cloud chemistry timestep (sec)\n\n REAL( 8 ) :: C1\n REAL( 8 ) :: C2\n REAL( 8 ) :: C3\n REAL( 8 ) :: pwr1D\n REAL( 8 ) :: pwr1\n\n INTEGER IP1, IP2\n\n" }, { "path": "CCTM/src/ddm3d/DDM3D_CHEM.F", "content": "#ifdef sens\n\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n Module DDM3D_CHEM\n\nC-----------------------------------------------------------------------\nC 9 Nov 15 S.L.Napelenok: initial version for cmaq5.1.1\nC 16 Jun 16 S.L.Napelenok: update for cmaq5.2 and het chem inclusion\nC-----------------------------------------------------------------------\n\n Use DDM3D_DEFN, Only: NPMAX\n \n Implicit None\n\n Real(8), Allocatable, Save :: YCHECK( : ) ! Concs used by DDM\n Real(8), Allocatable, Save :: YCDDM( : ) ! Concs used by DDM\n ! (avg of pre- and post-chem,\n ! or mid-chemstep concs,\n ! depending on implementation)\n Logical, Allocatable, Save :: DDM_CHECK( : ) ! check YCDDM set for all species\n\n Logical, Allocatable, Save :: RXNFLAG( : )\n INTEGER RXN\n Real*8, Allocatable, Save :: SRK( : ) ! rate constants\n\n Real, Allocatable, Save :: A( :, : ) ! An upper triangular matrix and the\n ! multipliers used to obtain it\n ! (See s_lu.F)\n Real, Allocatable, Save :: A1( :, : )\n Real, Allocatable, Save :: PDT( :, : )\n Real, Allocatable, Save :: PRD( : )\n Real, Allocatable, Save :: PRD_RATE( : ) ! Contribution to PRD from rxn rate sens\n Real, Allocatable, Save :: SOLD( : )\n\n Integer, Allocatable, Save :: IPVT ( : ) ! an integer vector of pivot indices.\n Integer, Allocatable :: SENS_INDEX( : ) ! CGRID_INDEX translated by JNEW2OLD\n Integer, Allocatable :: MECH_INDEX( : ) ! CGRID_INDEX translated by JNEW2OLD\n\nC Variables used for hddm-3d\n Real(8), Allocatable, Save :: SRK2 ( : ) ! rate constants\n LOGICAL, Allocatable, Save :: ORDER1 ( : ) ! true if order 1; else, false\n Real, Allocatable, Save :: PDT2( :, : ) ! Used for 2nd order call of JAC\n Real, Allocatable, Save :: SMID( :, : ) ! SENGRID in middle of timestep\n Real(8), Allocatable, Save :: SEND( :, : ) ! SENGRID at end of timestep\n Real(8), Allocatable, Save :: SMIDJAC( : ) ! SMID for the relevant 1st order\n ! sensitivity parameter\n Real(8), Allocatable, Save :: RK ( : )\n\n Integer N_EBI_MID ! the midpoint ebi step; half of N_EBI_STEPS\n Logical ODD_STEPS ! true if N_EBI_STEPS is odd\n\n\n Contains\n\nC-----------------------------------------------------------------------\n Subroutine INIT_DDM3D_CHEM\n\n Use RXNS_DATA, Only: NUMB_MECH_SPC, NRXNS, CGRID_INDEX\n Use UTILIO_DEFN ! IOAPI parameters and functions declarations\n\n Implicit None\n\n Character( 16 ), Save :: PNAME = 'INIT_DDM3D_CHEM'\n Integer :: LOGDEV \n Character( 96 ) :: XMSG = ' '\n Integer :: ALLOCSTAT\n Integer :: ISPC\n\n LOGDEV = INIT3 ()\n\n\n ALLOCATE( YCHECK ( NUMB_MECH_SPC), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating YCHECK'\n CALL M3EXIT ( PNAME, 0, 0, XMSG, XSTAT2 )\n END IF\n\n ALLOCATE( YCDDM ( NUMB_MECH_SPC), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating YCDDM'\n CALL M3EXIT ( PNAME, 0, 0, XMSG, XSTAT2 )\n END IF\n\n ALLOCATE( DDM_CHECK( NUMB_MECH_SPC), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating DDM_CHECK'\n CALL M3EXIT ( PNAME, 0, 0, XMSG, XSTAT2 )\n END IF\n\n ALLOCATE( RXNFLAG( NPMAX ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating RXNFLAG'\n CALL M3EXIT ( PNAME, 0, 0, XMSG, XSTAT2 )\n END IF\n\n ALLOCATE( SRK( NRXNS ), \n & SRK2 ( NRXNS ),\n & RK ( NRXNS ),\n & ORDER1 ( NRXNS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating SRK, SRK2, RK, or ORDER1'\n CALL M3EXIT ( PNAME, 0, 0, XMSG, XSTAT2 )\n END IF\n\n ALLOCATE( A( NUMB_MECH_SPC, NUMB_MECH_SPC ),\n & A1( NUMB_MECH_SPC, NUMB_MECH_SPC ),\n & PDT( NUMB_MECH_SPC, NUMB_MECH_SPC ),\n & PDT2( NUMB_MECH_SPC, NUMB_MECH_SPC ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating A, A1, PDT, or PDT2'\n CALL M3EXIT ( PNAME, 0, 0, XMSG, XSTAT2 )\n END IF\n\n ALLOCATE( SMID( NUMB_MECH_SPC,NPMAX ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating SMID'\n CALL M3EXIT ( PNAME, 0, 0, XMSG, XSTAT2 )\n END IF\n\n ALLOCATE( SEND( 1,NUMB_MECH_SPC ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating SEND'\n CALL M3EXIT ( PNAME, 0, 0, XMSG, XSTAT2 )\n END IF\n SEND = 0.0D0\n\n ALLOCATE( PRD( NUMB_MECH_SPC ),\n & SOLD( NUMB_MECH_SPC ),\n & IPVT ( NUMB_MECH_SPC ),\n & PRD_RATE( NUMB_MECH_SPC ),\n & SMIDJAC( NUMB_MECH_SPC ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating PRD, SOLD, IPVT, PRD_RATE,or SMIDJAC'\n CALL M3EXIT ( PNAME, 0, 0, XMSG, XSTAT2 )\n END IF\n\n ALLOCATE( SENS_INDEX( NUMB_MECH_SPC ),\n & MECH_INDEX( NUMB_MECH_SPC ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating SENS_INDEX or MECH_INDEX'\n CALL M3EXIT ( PNAME, 0, 0, XMSG, XSTAT2 )\n END IF\n \n DO ISPC = 1, NUMB_MECH_SPC\n MECH_INDEX(ISPC) = CGRID_INDEX(ISPC)\n SENS_INDEX(ISPC) = CGRID_INDEX(ISPC)\n END DO\n\n Return\n End Subroutine INIT_DDM3D_CHEM\n\nC-----------------------------------------------------------------------\n\n Subroutine SOLVE_DDM3D_CHEM( C,R,L,CHEMSTEP,OLD2NEW,NEW2OLD )\n\n Use DDM3D_DEFN, Only: SENGRID, NPMAX, NP, DATENUM, IPT, \n & IDATE, HIGH, IREGION, IRXN, IPARM, STARTDATE\n Use RXNS_DATA, Only: NRXNS, NREACT, NPRDCT, SC, IRR, CGRID_INDEX, NUMB_MECH_SPC,\n & RXLABEL, CHEMISTRY_SPC\n\n Use MECHANISM_FUNCTIONS \n\n Use UTILIO_DEFN ! IOAPI parameters and functions declarations\n\n Implicit None\n\n Character( 16 ), Save :: PNAME = 'SOLVE_DDM3D_CHEM'\n\n Integer, Intent( In ) :: C,R,L\n Real( 8 ), Intent( In ) :: CHEMSTEP\n Integer, Optional, Intent( In ) :: OLD2NEW( :,: )\n Integer, Optional, Intent( In ) :: NEW2OLD( :,: )\n\n Integer I,J,S,N\n Integer JROW, JCOL\n Integer INFO ! see s_lu.F\n\n Real(8) SUMAT\n Real(8) SUMSP\n Real(8) TOTAL\n Real(8) DIFF\n Real(8) DIFFSP\n \n Real IREGTEMP ! Holds relevant value of IREGION\n Real KSTEP ! Holds k times timestep(in min)\n Real RXNMULT ! Holds product of concs of reactants\n \n Integer NRCT ! Counter over reactants\n Integer NPROD ! Counter over products\n Integer IREACT ! index for reaction reactant\n Integer IPROD ! index for reaction produce\n Integer HIPARM( 2 ) ! index numbers of the 1st order sens\n ! parameters to which\n ! we're taking\n ! 2nd order sensitivity\n Integer HITMP1\n Integer HITMP2\n\n Logical, Save :: FIRSTIME = .TRUE.\n Logical, Save :: REORDER = .TRUE. ! reorder YCDDM\n Integer, Save :: LOGDEV\n\n Character( 96 ) :: XMSG = ' '\n\n IF ( FIRSTIME ) THEN\n\n FIRSTIME = .FALSE.\n LOGDEV = INIT3()\n DDM_LOG = LOGDEV\n ERROR_LOG = LOGDEV\n\n CALL SET_MECHANISM( ) ! determine formulas for Mechanism Jacobain and Species Rate of Change\n \n\n IF( PRESENT( OLD2NEW ) .AND. PRESENT( OLD2NEW ) )THEN\n\n REORDER = .FALSE. ! no reordering because YCDMM is already redeorderd by chemsolver\n \n! YCHECK = 0.0D0\n! DO I = 1,NUMB_MECH_SPC\n! S = NEW2OLD( I,1 )\n! YCHECK( S ) = YCDDM( I )\n! SEND(1,I) = YCDDM( I )\n! WRITE(LOGDEV,'(A,A,ES16.4)')' ORIG: ' // CHEMISTRY_SPC(I),' = ',YCHECK(S)\n! END DO\n! DO I = 1,NUMB_MECH_SPC\n! S = NEW2OLD( I,1 )\n! WRITE(LOGDEV,'(A,A,2(ES16.4,1X))')' SORT: ' // CHEMISTRY_SPC(S),' = ',YCDDM( I ),YCHECK(S)-YCDDM( I )\n! END DO\n! CALL EVALUATE_F_JAC_MECH( YCHECK, SRK, PDT2 ) ! Evaluate Jacobian based on YCDDM and SKR values\n\n! overwrite reordering using chemsolver conversing maps\n\n JNEW2OLD(1:NUMB_MECH_SPC,1) = NEW2OLD(1:NUMB_MECH_SPC,1)\n JOLD2NEW(1:NUMB_MECH_SPC,1) = OLD2NEW(1:NUMB_MECH_SPC,1)\n RESET_JACOBIAN = .TRUE.\n DO RXN = 1, NRXNS\n DO NRCT = 1, NREACT( RXN )\n IREACT = ISPECIES_REACTION( NRCT,RXN )\n ISPECIES_REACTION( NRCT,RXN ) = OLD2NEW( IREACT,1 )\n END DO\n\n DO NPROD = 1, NPRDCT( RXN )\n IPROD = ISPECIES_REACTION( NPROD+3,RXN )\n ISPECIES_REACTION( NPROD+3,RXN ) = OLD2NEW( IPROD,1 )\n END DO\n END DO\n\n! DO S = 1, NUMB_MECH_SPC\n! MECH_INDEX(S) = CGRID_INDEX(JOLD2NEW(S,1))\n! SENS_INDEX(S) = CGRID_INDEX(JNEW2OLD(S,1))\n! END DO\n\n! ELSE\n!\n! DO S = 1, NUMB_MECH_SPC\n! MECH_INDEX(S) = CGRID_INDEX(JOLD2NEW(S,1))\n! SENS_INDEX(S) = CGRID_INDEX(JNEW2OLD(S,1))\n! END DO\n! DO I = 1,NUMB_MECH_SPC\n! S = JOLD2NEW( I,1 )\n! YCHECK( S ) = YCDDM( I )\n! WRITE(LOGDEV,'(A,A,ES16.4)')' SORT: ' // CHEMISTRY_SPC(I),' = ',YCHECK(S)\n! END DO\n! DO I = 1,NUMB_MECH_SPC\n! S = JNEW2OLD( I,1 )\n! WRITE(LOGDEV,'(A,A,2(ES16.4,1X))')' ORIGINAL: ' // CHEMISTRY_SPC(S),' = ',YCDDM( S ),YCHECK(I)-YCDDM( S )\n! END DO\n! YCDDM = YCHECK\n \n END IF\n \n! DO RXN = 1, NRXNS\n\n! WRITE(LOGDEV,'(A,1X,I4,1X,A)')'For reaction number and label,',RXN,\n! & TRIM(RXLABEL(RXN))\n! WRITE(LOGDEV,*)'Reactants'\n! WRITE(LOGDEV,'(10X,40(A,\", \"))')\n! & (CHEMISTRY_SPC(JNEW2OLD(ISPECIES_REACTION( NRCT,RXN ),1)),NRCT = 1, NREACT( RXN ))\n\n! WRITE(LOGDEV,*)'Products'\n! WRITE(LOGDEV,'(10X,40(A,\", \"))')\n! & (CHEMISTRY_SPC(JNEW2OLD(ISPECIES_REACTION( NPROD+3,RXN ),1)),NPROD = 1, NPRDCT( RXN ))\n\n! END DO\n! WRITE(LOGDEV,*)'Original order: chemistry species, cgrid index'\n! DO S = 1, NUMB_MECH_SPC\n! WRITE(LOGDEV,'(A16,1X,I4)')CHEMISTRY_SPC(S),CGRID_INDEX(S)\n! END DO\n! WRITE(LOGDEV,*)'Sort ordered: chemistry species, cgrid index'\n! DO S = 1, NUMB_MECH_SPC\n! WRITE(LOGDEV,'(A16,1X,I4)')CHEMISTRY_SPC(JOLD2NEW(S,1)),MECH_INDEX(S)\n! END DO\n\n END IF\n \n IF ( REORDER ) THEN ! reorder to speed-up LU decomposition of Jacobian\n\n DO I = 1,NUMB_MECH_SPC\n S = JOLD2NEW( I,1 )\n YCHECK( S ) = YCDDM( I )\n END DO\n YCDDM = YCHECK\n \n END IF\n\n CALL EVALUATE_F_JAC_MECH( YCDDM, SRK, PDT ) ! Evaluate Jacobian based on YCDDM and SKR values\n\n DO 433 J = 1, NUMB_MECH_SPC\n DO 434 I = 1, NUMB_MECH_SPC\n A( I, J ) = 0.0\n A1( I, J ) = 0.0\n A( I, J ) = -0.5 * CHEMSTEP * PDT( I, J )\n A1( I, J ) = 0.5 * CHEMSTEP * PDT( I, J )\n IF ( I .EQ. J ) THEN\n A( I, J ) = 1.0 + A( I, J )\n A1( I, J ) = 1.0 + A1( I, J )\n END IF\n434 CONTINUE\n433 CONTINUE\nC Factor matrix A by Gaussian elimination\n\n CALL SGEFA(A, NUMB_MECH_SPC, NUMB_MECH_SPC, IPVT,INFO)\n\n DO 495 NP = 1, NPMAX\n\n IF ( IPT( NP ) .NE. 4 ) THEN\n\n DO S = 1, NUMB_MECH_SPC\n PRD( S ) = 0.0\n PRD_RATE( S ) = 0.0\n J = JOLD2NEW(S,1)\n SOLD(J) = SENGRID( C, R, L, NP,CGRID_INDEX(S))\n IF ( ABS(SOLD( J )) .LT. 1.e-25 ) SOLD(J) = 0.0\n END DO\n\nC Begin code specific to reaction rate sensitivities\n\n IF ( RXNFLAG( NP ) ) THEN ! RXNFLAG is true if IPT= 5 and time, date within bounds\n IREGTEMP = IREGION( C, R, L, NP )\n DO RXN = 1, NRXNS\n IF ( IRXN( NP, RXN ) .EQ. 1 ) THEN ! This checks if it's a reaction in the sens parameter\n KSTEP = SRK( RXN ) * CHEMSTEP ! KSTEP = k * timestep(in min)\n ! RXNMULT is the product of the concs of\n ! the reactants\n ! Note that the first 3 slots of IRR are\n ! for reactants,\n ! and slots 4- are for products\n IF ( NREACT( RXN ) .EQ. 1 ) THEN\n RXNMULT = KSTEP\n & * YCDDM( ISPECIES_REACTION( 1,RXN ) )\n ELSE IF ( NREACT( RXN ) .EQ. 2 ) THEN\n RXNMULT = KSTEP\n & * YCDDM( ISPECIES_REACTION( 1,RXN ) )\n & * YCDDM( ISPECIES_REACTION( 2,RXN ) )\n ELSE IF ( NREACT( RXN ) .EQ. 3 ) THEN\n RXNMULT = KSTEP\n & * YCDDM( ISPECIES_REACTION( 1,RXN ) )\n & * YCDDM( ISPECIES_REACTION( 2,RXN ) )\n & * YCDDM( ISPECIES_REACTION( 3,RXN ) )\n ELSE\n XMSG = 'NREACT out of expected bounds of 1-3.'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n \n DO NRCT = 1, NREACT( RXN ) ! Loop over the reactants\n PRD_RATE( ISPECIES_REACTION( NRCT,RXN ) ) = PRD_RATE( ISPECIES_REACTION( NRCT,RXN ) )\n & - RXNMULT * IREGTEMP ! Subtract RXNMULT from PRD_RATE for reactant species\n END DO\n\n DO NPROD = 1, NPRDCT( RXN ) ! Loop over the products\n ! Add RXNMULT to PRD_RATE for product\n ! species\n ! The +3 reflects that slots >=4 of IRR\n ! are for products\n ! SC are the stoichiometric\n ! coefficients of products\n ! and do not need the +3 (see\n ! RXDT.EXT)\n PRD_RATE( ISPECIES_REACTION( 3+NPROD,RXN ) ) = PRD_RATE( ISPECIES_REACTION( 3+NPROD,RXN ) )\n & + ( RXNMULT * SC( RXN, NPROD ) * IREGTEMP )\n END DO\n END IF\n END DO ! RXN\n END IF ! RXNFLAG\nC End code specific to reaction rate sensitivities\n DO S = 1, NUMB_MECH_SPC\n TOTAL = 0.0D0\n DO J = 1, NUMB_MECH_SPC\n TOTAL = TOTAL + A1( S, J ) * SOLD( J )\n END DO\nC edits by A.Digar\n PRD( S ) = TOTAL + PRD_RATE( S )\nC end edit\n END DO\n\n CALL SGESL( A, NUMB_MECH_SPC, NUMB_MECH_SPC, IPVT, PRD, 0 )\n DO S = 1, NUMB_MECH_SPC\n J = CGRID_INDEX(JNEW2OLD(S,1))\n IF ( ABS ( PRD ( S ) ) .LT. 1.e-25 ) THEN\n IF ( HIGH ) THEN\n SMID( S,NP ) = 0.5 * SOLD(S)\n END IF\n SENGRID( C, R, L, NP,J ) = 0.0\n ELSE\n IF ( HIGH ) THEN ! SMID is the average of SENGRID before and after chemistry\n SMID( S,NP ) = 0.5 * ( SOLD(S) + PRD( S) )\n END IF\n SENGRID( C, R, L, NP,J ) = PRD( S )\n END IF\n END DO\n\n ELSE ! IPT( NP ) = 4 2nd order sensitivity\n HIPARM( 1 ) = 0\n HIPARM( 2 ) = 0\n DO J = 1, NP - 1\n IF ( IPARM( NP, J ) .EQ. 1 ) THEN\n HIPARM( 1 ) = J\n ELSE IF ( IPARM( NP, J ) .EQ. 2 ) THEN\n HIPARM( 2 ) = J\n ELSE IF ( IPARM( NP, J ) .EQ. 3 ) THEN\n HIPARM( 1 ) = J\n HIPARM( 2 ) = J\n END IF\n END DO\n\n DO S = 1, NUMB_MECH_SPC\n SMIDJAC( S ) = SMID( S,HIPARM( 1 ) )\n END DO\nC Added by A.Digar\n DO S = 1, NUMB_MECH_SPC\n PRD(S) = 0.0\n J = JOLD2NEW(S,1)\n SOLD(J) = SENGRID( C, R, L, NP, CGRID_INDEX(S) ) \n IF (ABS(SOLD( J )) .LT. 1.e-25 ) SOLD(J) = 0.0\n END DO\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC Begin code specific to high-order sensitivity with one/more 1st order\nC term/s\nC being reaction rate sensitivity\nC added by A.Digar\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n HITMP1 = HIPARM( 1 )\n HITMP2 = HIPARM( 2 )\n\n\n DO N = 1, 2 ! loop for two 1st-order sens parameters\n IF ( ( IPT( HITMP1 ) .EQ. 5 ) .AND. ( RXNFLAG( HITMP1 ) ) ) THEN ! check for rate constant sens, date & time\n IREGTEMP = IREGION ( C, R, L, HITMP1 )\n DO RXN = 1, NRXNS\n ! keeping the rate terms that contain only\n ! the\n ! rate constants of interest and setting\n ! rest to zero\n RK( RXN ) = SRK( RXN ) * IRXN( HITMP1, RXN )\n END DO\n ! Jacobian for first-order,\n ! called with sensitivities and\n ! rxn rates with 1st order rxns effective \n CALL EVALUATE_F_JAC_MECH( YCDDM, RK, PDT ) ! Evaluate Jacobian based on YCDDM and RK values\n DO S = 1, NUMB_MECH_SPC\n DO J = 1, NUMB_MECH_SPC\n PRD( S ) = PRD( S ) + CHEMSTEP * PDT( S,J ) * SMID( J,HITMP2 ) * IREGTEMP\n END DO\n END DO\n IF ( IPT( HITMP1 ) .eq. IPT( HITMP2 ) ) THEN\n PRD = 2.0 * PRD\n EXIT\n ENDIF\n ENDIF\n HITMP1 = HIPARM( 2 )\n HITMP2 = HIPARM( 1 )\n END DO\nC End of modification by A.Digar\n\n ! Jacobian for higher-order,\n ! called with sensitivities and\n ! rxn rates with 1st order rxns removed\n CALL EVALUATE_F_JAC_MECH( SMIDJAC, SRK2, PDT2 ) ! Evaluate Jacobian based on SMIDJAC and SKR2 values\n\n DO S = 1, NUMB_MECH_SPC\n TOTAL = 0.0\n DO J = 1, NUMB_MECH_SPC\n TOTAL = TOTAL + A1( S, J ) * SOLD( J )\n & + CHEMSTEP * PDT2( S,J ) * SMID( J,HIPARM( 2 ) )\n END DO\nC edits by A.Digar\n PRD( S ) = TOTAL + PRD( S )\nC end of edits\n END DO\n\n CALL SGESL( A, NUMB_MECH_SPC, NUMB_MECH_SPC, IPVT, PRD, 0 )\n \n DO S = 1, NUMB_MECH_SPC\n IF ( ABS ( PRD ( S ) ) .LT. 1.e-25 ) THEN\n SENGRID( C, R, L, NP, CGRID_INDEX(JNEW2OLD(S,1)) ) = 0.0\n ELSE\n SENGRID( C, R, L, NP, CGRID_INDEX(JNEW2OLD(S,1)) ) = PRD( S )\n END IF\n END DO\n\n END IF\n\n495 CONTINUE ! End of do loop over NP\n\n\n Return\n\n End Subroutine SOLVE_DDM3D_CHEM\n\nC-----------------------------------------------------------------------\n\n End Module DDM3D_CHEM\n\n#endif\n" }, { "path": "CCTM/src/ddm3d/DDM3D_DEFN.F", "content": "#ifdef sens\n\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n Module DDM3D_DEFN\n\nC-----------------------------------------------------------------------\nC 8 Nov 12 S.L.Napelenok: initial version\nC 15 Oct 15 S.L.Napelenok: ddm-3d implementation for cmaq5.1.1\nC 29 Jun 16 S.L.Napelenok: update for cmaq5.2, include SPCNAME here\nC 20 Nov 19 S.L.Napelenok: update for cmaq 5.3.1\nC \nC-----------------------------------------------------------------------\nC\nC variables\nC NPMAX - Max # of sens parameters allowed\nC IPT - Type of sensitivity:\nC 1 = INIT; 2 = BOUN;\nC 3 = EMIS; 4 = HIGH\nC 5 = RATE; 6 = PVO3\nC IPARM - ARRAY FOR PARAMETER TYPE AND SPECIES ORDER #\nC set to 1 if sens to that species, 0 otherwise\nC IAMOUNT - Amount by which emissions are perturbed in a sens param,\nC ( NPMAX, MXSPCS, 25 ), the 25th slot is 1 if emis\nC amounts specified, 0 otherwise\nC ILAYER - Layers included in sens parameter\nC ( NPMAX, NLAYS ), 1 if layer's emis included, 0\nC otherwise, only used if emis amount specified,\nC otherwise set to 1 for all layers\nC IDATE and ITIME - Dates and times included in sens parameter,\nC if not all dates & times are included; Note: to span\nC midnight, begin time may be larger than endtime\nC IREGION - Region of emission (1 = domainwide)\nC IRXN - Which chemical reaction for reaction rate sensitivities\nC 1 if sens to that reaction rate; 0 otherwise\nC SEN_PAR - Names of sensitivity parameters\nC NDAYS - No of dates in model run\n\n\n \n Use CGRID_SPCS, Only: NSPCSD, N_GC_SPC ! CGRID species number and offsets\n\n Implicit None\n\n Real, Save, Pointer :: SENGRID( :,:,:,:,: )\n Real, Save, Pointer :: SENGRID_TEMP( :,:,:,: )\n\n Real, Save, Allocatable :: SAGRID( :,:,:,:,: )\n Integer, Save :: NPMAX = 1\n\n Integer, Save :: NDAYS = 1\n\n Integer, Allocatable, Save, Target :: TGT_IPT( : )\n Integer, Pointer :: IPT (:)\n Integer, Allocatable, Save, Target :: TGT_IPARM( :,: )\n Integer, Pointer :: IPARM ( :,: )\n CHARACTER( 16 ), Allocatable, Save, Target :: TGT_GRID_FILE( :,: )\n CHARACTER( 16 ), POINTER :: GRID_FILE( :,: ) ! ( NPMAX, 9 ) \n Integer, Allocatable, Save, Target :: TGT_GRID_NUM( : )\n Integer, Pointer :: GRID_NUM( : ) \n\n CHARACTER( 16 ), Allocatable, Save, Target :: TGT_PT3D_FILE(:,:,:)\n CHARACTER( 16 ), POINTER :: PT3D_FILE( :,:,: ) ! ( NPMAX, 2, 9 ) \n Integer, Allocatable, Save, Target :: TGT_PT3D_NUM( : )\n Integer, Pointer :: PT3D_NUM( : )\n\n REAL, Allocatable, Save, Target :: TGT_IAMOUNT( :,:,: )\n REAL, POINTER :: IAMOUNT( :,:,: )\n Integer, Allocatable, Save, Target :: TGT_ILAYER( :,: )\n Integer, Pointer :: ILAYER( :,: )\n\n Integer, Allocatable, Save, Target :: TGT_IRXN( :,: )\n Integer, Pointer :: IRXN( :,: )\n\n Integer, Allocatable, Save, Target :: TGT_IDATE( :,: )\n Integer, Pointer :: IDATE( :,: )\n Integer, Allocatable, Save, Target :: TGT_ITIME( :,: )\n Integer, Pointer :: ITIME( :,: )\n Real, Allocatable, Save, Target :: TGT_IREGION( :,:,:,:)\n Real, Pointer :: IREGION( :,:,:,: )\n Character( 8 ), Allocatable, Save, Target :: TGT_SENPAR( : )\n Character( 8 ), Pointer :: SEN_PAR( : )\n\n Real, Allocatable, Save :: BSEN( :,:,: ) ! boundary sens - equivalent to BCON in hadvypmm.F\n\n Logical, Save :: RST ! Flag for using restart file\n Logical, Save :: BCS ! Flag for reading in boundary sensitivities\n Logical, Save :: HIGH ! Flag for higher order sensitivities\nc Logical, Save :: RGN ! Flag for using regions files\nc Logical, Save :: ES ! Flag for pre-merged emissions\n\n Integer, Save :: STARTDATE ! copy from STDATE and save for ddm to use \n Integer :: DATENUM ! 1 + jdate - stdate\n\n Integer NP, SENNUM\n\n Integer, Allocatable, Save, Target :: TGT_IHIGH( :,: )\n Integer, Pointer :: IHIGH ( :,: ) ! 2nd order mapping; IHIGH(NP,1) is 1st term; IHIGH(NP,2) is 2nd term\n\n CHARACTER( 16 ) :: SPCNAME\n\nc Cloud module variables\n REAL( 8 ), ALLOCATABLE, SAVE :: S_CONDEP( :,:,:,: ) ! sens of conv wdep\n REAL( 8 ), ALLOCATABLE, SAVE :: S_TOTDEP( :,:,:,: ) ! sens of tot dep\n REAL( 4 ), ALLOCATABLE, SAVE :: S_DEPWRT( :,:,: ) ! wdep write array\n\n REAL( 8 ), ALLOCATABLE, SAVE :: S_POLC ( :,: ) ! sens of incloud conc (mol/mol) \n REAL( 8 ), ALLOCATABLE, SAVE :: S_CEND ( :,: ) ! sens of ending conc (mol/mol)\n REAL( 8 ), ALLOCATABLE, SAVE :: S_REMOV( :,: ) ! sens of moles/m2 or mm*mol/lit scavenged\n REAL( 8 ), ALLOCATABLE, SAVE :: S_REMOVAC( : ) ! sens of variable storing H+ deposition\n\n REAL, ALLOCATABLE, SAVE :: S_HPWDEP ( : ) ! hydrogen wet dep (mm mol/liter)\n REAL( 8 ), ALLOCATABLE, SAVE :: S_GAS ( :,: ) ! gas phase conc (mol/mol)\n REAL( 8 ), ALLOCATABLE, SAVE :: S_GASWDEP( :,: ) ! gas phase wet dep array (mm mol/liter)\n REAL( 8 ), ALLOCATABLE, SAVE :: S_AEROSOL( :,:,: ) ! aerosol conc (mol/mol)\n REAL( 8 ), ALLOCATABLE, SAVE :: S_AERWDEP( :,:,: ) ! aerosol wet dep array (mm mol/liter)\n\n REAL( 8 ), ALLOCATABLE, SAVE :: S_CCR ( :,:,: )\n REAL( 8 ), ALLOCATABLE, SAVE :: S_CBELOW ( :,: )\n\n Character( 16 ), Allocatable, Save :: S_WETDEPSPC( : ) ! List of variable names in sens wet dep file\n\n REAL( 8 ), ALLOCATABLE, SAVE :: S_CONC ( :,:,: )\n REAL( 8 ), ALLOCATABLE, SAVE :: S_BMOL ( :,: ) ! moles/m2 species below cloud\n REAL( 8 ), ALLOCATABLE, SAVE :: S_CBASE0 ( :,: ) ! initial ave trace gas mix rat below cld\n REAL( 8 ), ALLOCATABLE, SAVE :: S_CBASEF ( :,: ) ! final ave trac gas mix rat blw cld (moles/mole)\n REAL( 8 ), ALLOCATABLE, SAVE :: S_BCLDWT ( :,:,: ) ! below cloud weighting function\n REAL( 8 ), ALLOCATABLE, SAVE :: S_INCLOUD ( :,:,: ) ! fin. in cloud conc. after mix and chem moles/mole\n REAL( 8 ), ALLOCATABLE, SAVE :: S_OUTCLOUD( :,:,: ) ! fin. outside cld conc. \" \" \" \" moles/mole\n REAL( 8 ), ALLOCATABLE, SAVE :: S_PCLD ( :,:,: ) ! moles sp/mole air in cloud\n REAL( 8 ) S_CONDIS\n REAL( 8 ) DDM3D_CONCMINL ! the conc small number is too small even with real(8)!!!!\n\nc VDIFF module variables\n REAL, ALLOCATABLE, SAVE :: SNGRD( :,:,:,:,: ) ! sengrid replacement\n REAL, ALLOCATABLE, SAVE :: S_DDEP( :,:,:,: ) ! ddep sens accumulator\n REAL, ALLOCATABLE, SAVE :: SENS( :,:,: ) ! secondary SENGRID expression\n REAL, ALLOCATABLE, SAVE :: S_EMIS( :,:,: ) ! stores SVDEMIS*DTS\n REAL, ALLOCATABLE, SAVE :: S_DD ( :,:,: ) ! DD for sens \n REAL, ALLOCATABLE, SAVE :: S_UU ( :,:,: ) ! UU for sens\n REAL, ALLOCATABLE, SAVE :: S_DDBF( :,: ) ! incremental SENDDEP\n REAL, ALLOCATABLE, SAVE :: S_POL( :,: )\n REAL S_DELC\n REAL, ALLOCATABLE, SAVE :: S_PLDV_HONO( : )\n\nc Emissisons module variables\n Integer, Allocatable, Save :: S_NSTREAMS( : ) ! Number of emissions streams per parameter\n Character( 32 ), Allocatable, Save :: S_STREAMLBL( :,: ) ! Emissions stream names per parameter (max = 99)\n Integer, Allocatable, Save :: S_NRGN( : ) ! Number of emissions streams per parameter\n Character( 16 ), Allocatable, Save :: S_RGNLBL( :,: ) ! Emissions stream names per parameter (max = 99)\n Character( 16 ), Allocatable, Save :: S_SPCLIST( :,: ) ! User-specified species list\n REAL, ALLOCATABLE :: SVDEMIS_DIFF( :,:,:,:,: ) ! sensitivity emissions array mapped to diffused species\n INTEGER, ALLOCATABLE, SAVE :: SENS_PER_STREAM( : ) ! number of senstivity parameters using the numbered stream\n INTEGER, ALLOCATABLE, SAVE :: STREAM_TO_SENS( :,: ) ! mapping\n\nc DEPV_DEF/m3dry variables\n REAL, ALLOCATABLE, SAVE :: S_PVD( :,:,:,: )\n REAL, ALLOCATABLE, SAVE :: S_CGRIDL1( :,:,:,: )\nc REAL, ALLOCATABLE, SAVE :: S_CMP ( :,:,:,: )\n REAL, ALLOCATABLE, SAVE :: S_PLDV( :,:,:,: )\n\nc I/O variables\n Integer, Save :: N_ASENS_VARS = 0\n\n Contains\n\nC-----------------------------------------------------------------------\n Subroutine INIT_DDM3D\n\n Use UTILIO_DEFN\n Use HGRD_DEFN, Only: NCOLS, NROWS\n Use VGRD_DEFN, Only: NLAYS\n\n Use RXNS_DATA, Only: NRXNS\n\n Implicit None\n\nc Include SUBST_RXCMMN\n\nc Integer STDATE, STTIME ! Starting date/time\n\n Character( 16 ) :: PNAME = 'INIT_DDM3D'\n Character( 16 ) :: CTM_NPMAX = 'CTM_NPMAX'\n Character( 16 ) :: CTM_STTIME = 'CTM_STTIME'\n Character( 16 ) :: CTM_RUNLEN = 'CTM_RUNLEN'\n Character( 16 ) :: DDM3D_RST = 'DDM3D_RST' ! switch for sens restart file\n Character( 16 ) :: DDM3D_BCS = 'DDM3D_BCS' ! switch for reading boundary sensitivities\n Character( 16 ) :: DDM3D_HIGH = 'DDM3D_HIGH' ! switch for higher order sensitivities\nc Character( 16 ) :: DDM3D_RGN = 'DDM3D_RGN' ! switch for using regions files\nc Character( 16 ) :: DDM3D_ES = 'DDM3D_ES' ! switch for pre-merged emissions\n\n Integer RUNLEN, BGNTIME\n\n Integer STATUS\n Character( 80 ) :: VARDESC\n Integer LOGDEV ! FORTRAN unit number for log file\n\n Character( 96 ) :: XMSG = ' '\n Integer ALLOCSTAT\n\n LOGDEV = INIT3 ()\n\nc STARTDATE = STDATE\n\nc Determine number of parameters\n VARDESC = 'Max number of sens parameters.'\n NPMAX = ENVINT( CTM_NPMAX, VARDESC, NPMAX, STATUS )\n IF ( STATUS .NE. 0 ) WRITE( LOGDEV, '(5X, A)' ) VARDESC\n IF ( STATUS .EQ. 1 ) THEN\n XMSG = 'Environment variable improperly formatted'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT2 )\n ELSE IF ( STATUS .EQ. -1 ) THEN\n XMSG = 'Envt variable set, but empty...Using default:'\n WRITE( LOGDEV, '(5X, A, I9)' ) XMSG, 0\n ELSE IF ( STATUS .EQ. -2 ) THEN\n XMSG = 'Environment variable not set ... Using default:'\n WRITE( LOGDEV, '(5X, A, I9)' ) XMSG, 0\n END IF\n\nC Use the begin time and run length to determine how many\nC dates are in the model run, for use in dimensioning IDATE\n BGNTIME = 000000 ! default\n VARDESC = 'Scenario Starting Time (HHMMSS)'\n BGNTIME = ENVINT( CTM_STTIME, VARDESC, BGNTIME, STATUS )\n IF ( STATUS .NE. 0 ) WRITE( LOGDEV, '(5X, A)' ) VARDESC\n IF ( STATUS .EQ. 1 ) THEN\n XMSG = 'Environment variable improperly formatted'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT2 )\n ELSE IF ( STATUS .EQ. -1 ) THEN\n XMSG = 'Envirnmt variable set, but empty ... Using default:'\n WRITE( LOGDEV, '(5X, A, I9)' ) XMSG, BGNTIME\n ELSE IF ( STATUS .EQ. -2 ) THEN\n XMSG = 'Environment variable not set ... Using default:'\n WRITE( LOGDEV, '(5X, A, I9)' ) XMSG, BGNTIME\n END IF\n\n RUNLEN = 240000 ! default\n VARDESC = 'Scenario Run Duration (HHMMSS)'\n RUNLEN = ENVINT( CTM_RUNLEN, VARDESC, RUNLEN, STATUS )\n IF ( STATUS .NE. 0 ) WRITE( LOGDEV, '(5X, A)' ) VARDESC\n IF ( STATUS .EQ. 1 ) THEN\n XMSG = 'Environment variable improperly formatted'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT2 )\n ELSE IF ( STATUS .EQ. -1 ) THEN\n XMSG = 'Envirnmt variable set, but empty ... Using default:'\n WRITE( LOGDEV, '(5X, A, I9)' ) XMSG, BGNTIME\n ELSE IF ( STATUS .EQ. -2 ) THEN\n XMSG = 'Environment variable not set ... Using default:'\n WRITE( LOGDEV, '(5X, A, I9)' ) XMSG, BGNTIME\n END IF\n\n NDAYS = 1 + FLOOR( REAL( BGNTIME + RUNLEN ) / 240000.0 )\n\nc Allocate sensitivy arrays\n\nc IREGION\n ALLOCATE ( TGT_IREGION( NCOLS,NROWS,NLAYS,NPMAX ),\n & STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating TGT_IREGION'\n CALL M3EXIT ( 'TGT_IREGION', 0, 0, XMSG, XSTAT2 )\n END IF\n TGT_IREGION = 0.0\n IREGION => TGT_IREGION\n\nc IPT\n ALLOCATE ( TGT_IPT( NPMAX ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating TGT_IPT'\n CALL M3EXIT ( 'TGT_IPT', 0, 0, XMSG, XSTAT2 )\n END IF\n TGT_IPT = 0\n IPT => TGT_IPT\n\nc IPARM\n ALLOCATE ( TGT_IPARM( NPMAX, NSPCSD ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating TGT_IPARM'\n CALL M3EXIT ( 'TGT_IPARM', 0, 0, XMSG, XSTAT2 )\n END IF\n TGT_IPARM = 0\n IPARM => TGT_IPARM\n\nc GRID_FILE\n ALLOCATE ( TGT_GRID_FILE( NPMAX, 9 ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating TGT_GRID_FILE'\n CALL M3EXIT ( 'TGT_GRID_FILE', 0, 0, XMSG, XSTAT2 )\n END IF\n TGT_GRID_FILE = ' '\n GRID_FILE => TGT_GRID_FILE\n\nc PT3D_FILE\n ALLOCATE ( TGT_PT3D_FILE( NPMAX, 2, 9 ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating TGT_PT3D_FILE'\n CALL M3EXIT ( 'TGT_PT3D_FILE', 0, 0, XMSG, XSTAT2 )\n END IF\n TGT_PT3D_FILE = ' '\n PT3D_FILE => TGT_PT3D_FILE\n\nc GRID_NUM\n ALLOCATE ( TGT_GRID_NUM( NPMAX ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating TGT_GRID_NUM'\n CALL M3EXIT ( 'TGT_GRID_NUM', 0, 0, XMSG, XSTAT2 )\n END IF\n TGT_GRID_NUM = 0\n GRID_NUM => TGT_GRID_NUM\n\nc PT3D_NUM\n ALLOCATE ( TGT_PT3D_NUM( NPMAX ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating TGT_PT3D_NUM'\n CALL M3EXIT ( 'TGT_PT3D_NUM', 0, 0, XMSG, XSTAT2 )\n END IF\n TGT_PT3D_NUM = 0\n PT3D_NUM => TGT_PT3D_NUM\n\nc IAMOUNT\n ALLOCATE ( TGT_IAMOUNT( NPMAX, NSPCSD, 25 ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating TGT_IAMOUNT'\n CALL M3EXIT ( 'TGT_IAMOUNT', 0, 0, XMSG, XSTAT2 )\n END IF\n TGT_IAMOUNT = 0.0\n IAMOUNT => TGT_IAMOUNT\n\nc ILAYER\n ALLOCATE ( TGT_ILAYER( NPMAX, NLAYS), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating TGT_ILAYER'\n CALL M3EXIT ( 'TGT_ILAYER', 0, 0, XMSG, XSTAT2 )\n END IF\n TGT_ILAYER = 0\n ILAYER => TGT_ILAYER\n\nc IRXN\n ALLOCATE ( TGT_IRXN( NPMAX,NRXNS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating TGT_IRXN'\n CALL M3EXIT ( 'TGT_IRXN', 0, 0, XMSG, XSTAT2 )\n END IF\n TGT_IRXN = 0\n IRXN => TGT_IRXN\n\nc IDATE\n ALLOCATE ( TGT_IDATE( NPMAX, NDAYS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating TGT_IDATE'\n CALL M3EXIT ( 'TGT_IDATE', 0, 0, XMSG, XSTAT2 )\n END IF\n TGT_IDATE = 0\n IDATE => TGT_IDATE\n\nc ITIME\n ALLOCATE ( TGT_ITIME( NPMAX, 2 ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating TGT_ITIME'\n CALL M3EXIT ( 'TGT_ITIME', 0, 0, XMSG, XSTAT2 )\n END IF\n TGT_ITIME = 0\n ITIME => TGT_ITIME\n\nc SENPAR\n ALLOCATE ( TGT_SENPAR( NPMAX ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating TGT_SENPAR'\n CALL M3EXIT ( 'TGT_SENPAR', 0, 0, XMSG, XSTAT2 )\n END IF\n TGT_SENPAR = ' '\n SEN_PAR => TGT_SENPAR\n\nc Using restart file?\n RST = .TRUE. ! default\n VARDESC = 'Flag for using sensitivity restart files'\n RST = ENVYN( DDM3D_RST, VARDESC, RST, STATUS )\n IF ( STATUS .NE. 0 ) WRITE( LOGDEV, '(5X, A)' ) VARDESC\n IF ( STATUS .EQ. 1 ) THEN\n XMSG = 'Environment variable improperly formatted'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT2 )\n ELSE IF ( STATUS .EQ. -1 ) THEN\n XMSG = 'Environment variable set, but empty ... Using default:'\n WRITE( LOGDEV, '(5X, A, A16, L5)' ) XMSG, DDM3D_RST, RST\n ELSE IF ( STATUS .EQ. -2 ) THEN\n XMSG = 'Environment variable not set ... Using default:'\n WRITE( LOGDEV, '(5X, A, A16, L5)' ) XMSG, DDM3D_RST, RST\n END IF\n\nc Reading sensitivity boundaries\n BCS = .FALSE. ! default\n VARDESC='Flag for using sensitivities BCs'\n BCS = ENVYN( DDM3D_BCS, VARDESC, BCS, STATUS )\n IF ( STATUS .NE. 0 ) WRITE( LOGDEV, '(5X, A)' ) VARDESC\n IF ( STATUS .EQ. 1 ) THEN\n XMSG = 'Environment variable improperly formatted'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT2 )\n ELSE IF ( STATUS .EQ. -1 ) THEN\n XMSG = 'Environment variable set, but empty ... Using default:'\n WRITE( LOGDEV, '(5X, A, A16, L5)' ) XMSG, DDM3D_BCS, BCS\n ELSE IF ( STATUS .EQ. -2 ) THEN\n XMSG = 'Environment variable not set ... Using default:'\n WRITE( LOGDEV, '(5X, A, A16, L5)' ) XMSG, DDM3D_BCS, BCS\n END IF\n\nc Computing higher order sensitivities\n HIGH = .FALSE. ! default\n VARDESC='Flag for computing higher order sensitivities'\n HIGH = ENVYN( DDM3D_HIGH, VARDESC, HIGH, STATUS )\n IF ( STATUS .NE. 0 ) WRITE( LOGDEV, '(5X, A)' ) VARDESC\n IF ( STATUS .EQ. 1 ) THEN\n XMSG = 'Environment variable improperly formatted'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT2 )\n ELSE IF ( STATUS .EQ. -1 ) THEN\n XMSG = 'Environment variable set, but empty ... Using default:'\n WRITE( LOGDEV, '(5X, A, A16, L5)' ) XMSG, DDM3D_HIGH, HIGH\n ELSE IF ( STATUS .EQ. -2 ) THEN\n XMSG = 'Environment variable not set ... Using default:'\n WRITE( LOGDEV, '(5X, A, A16, L5)' ) XMSG, DDM3D_HIGH, HIGH\n END IF\n\nc ALLOCATE( YCDDM (N_GC_SPC), STAT = ALLOCSTAT )\nc IF ( ALLOCSTAT .NE. 0 ) THEN\nc XMSG = 'Failure allocating YCDDM'\nc CALL M3EXIT ( 'YCDDM', 0, 0, XMSG, XSTAT2 )\nc END IF\n\nc IHIGH\n ALLOCATE ( TGT_IHIGH( NPMAX, 2 ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating TGT_IHIGH'\n CALL M3EXIT ( 'TGT_IHIGH', 0, 0, XMSG, XSTAT2 )\n END IF\n TGT_IHIGH = 0\n IHIGH => TGT_IHIGH\n\nc Emissions\n ALLOCATE ( S_NSTREAMS( NPMAX ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating S_NSTREAMS(NPMAX)'\n CALL M3EXIT ( 'INIT_DDM3D', 0, 0, XMSG, XSTAT2 )\n END IF\n S_NSTREAMS = 0\n\n ALLOCATE ( S_STREAMLBL( NPMAX, 99 ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating S_STREAMLBL(NPMAX,99)'\n CALL M3EXIT ( 'INIT_DDM3D', 0, 0, XMSG, XSTAT2 )\n END IF\n S_STREAMLBL = 'empty'\n\n ALLOCATE ( S_NRGN( NPMAX ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating S_NRGN(NPMAX)'\n CALL M3EXIT ( 'INIT_DDM3D', 0, 0, XMSG, XSTAT2 )\n END IF\n S_NRGN = 0\n\n ALLOCATE ( S_RGNLBL( NPMAX,99 ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating S_RGNLBL(NPMAX,99)'\n CALL M3EXIT ( 'INIT_DDM3D', 0, 0, XMSG, XSTAT2 )\n END IF\n S_RGNLBL = 'empty'\n\n ALLOCATE ( S_SPCLIST( NPMAX, 999 ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating S_SPCLIST( NPMAX, 999 )'\n CALL M3EXIT ( 'INIT_DDM3D', 0, 0, XMSG, XSTAT2 )\n END IF\n S_SPCLIST = ''\n\n\nc Get sensitivity parameter information from control file\n CALL SINPUT( 0, 0 )\n\n Return\n End Subroutine INIT_DDM3D\n\nC-----------------------------------------------------------------------\n Subroutine CKTIME( JDATE,JTIME,PRM,TIMEFLAG )\n\nC-----------------------------------------------------------------------\nC Function:\nC CKTIME determines whether the current model time, JTIME, is\nC within the time range ITIME specified in sensinput.dat.\nC Returns TIMEFLAG as TRUE or FALSE.\nC Called by advection and diffusion routines in sensitivity analysis.\nC Revision History:\nC Created July 02 Daniel Cohan\nC 15th March 2006: SRTonse, LBL, if time period straddles midnight\nC then both dates need to be set as true and only the hours connected\nC to the straddling period are set with TIMEFLAG TRUE\nC 18 Jun 13 S.Napelenok: ddm-3d implementation for cmaq5.0.1;\nC moved into this module from a separate file\nC-----------------------------------------------------------------------\n\n Use UTILIO_DEFN\n\n Implicit None\n\n Integer, Intent(In) :: JDATE ! current date\n Integer, Intent(In) :: JTIME ! current model time, coded HHMMSS\n Integer, Intent(In) :: PRM ! number of current sensitivity parameter\n Logical, Intent(Out) :: TIMEFLAG ! check for valide date/time\n\n Integer :: NAD, I\n\n\n TIMEFLAG = .False.\n\nC time period does not straddle midnight\n IF ( ( JTIME .GE. ITIME ( PRM,1 )) .AND. (JTIME .LE. ITIME(PRM,2 ))) THEN\n TIMEFLAG = .TRUE.\n\nC time period straddles midnight\n ELSE IF ( ITIME ( PRM,1 ) .GT. ITIME ( PRM,2 ) ) THEN\nC count number of active dates set\n NAD = 0\n DO I = 1,NDAYS\n IF(IDATE(PRM,I) .EQ. 1)NAD = NAD + 1\n END DO\nC if all dates set true do not bother to test on date, test on time only\n IF(NAD .EQ. NDAYS)THEN\n TIMEFLAG =\n & (JTIME .GE. ITIME(PRM,1) .AND. JTIME .LE. 240000) .OR.\n & (JTIME .LE. ITIME(PRM,2) .AND. JTIME .GE. 0 )\n ELSE\nC test on date, and only pick times that straddle 2 active dates\n I = 1 + JDATE - STARTDATE !date index in IDATE array\n TIMEFLAG =\n & (JTIME.GE.ITIME(PRM,1) .AND. JTIME .LE. 240000\n & .AND. IDATE(PRM,I).EQ.1 .AND. IDATE(PRM,I+1).EQ.1)\n & .OR.\n & (JTIME.LE.ITIME(PRM,2) .AND. JTIME .GE. 0\n & .AND. IDATE(PRM,I-1).EQ.1 .AND. IDATE(PRM,I).EQ.1)\n END IF\n END IF\n\n Return\n End Subroutine CKTIME\n\nC-----------------------------------------------------------------------\n\n End Module DDM3D_DEFN\n#endif\n" }, { "path": "CCTM/src/ddm3d/MECHANISM_FUNCTIONS.F", "content": "#ifdef sens\n\n MODULE MECHANISM_FUNCTIONS\n\n\n IMPLICIT NONE\n\n\n INTEGER :: JDATE = 2011188 ! current Julian date (YYYYDDD)\n INTEGER :: JTIME = 000000 ! current time (HHMMSS)\n\n REAL( 8 ), ALLOCATABLE :: FORWARD_CONV( : ) ! CGRID to CHEM Species conversion factor\n REAL( 8 ), ALLOCATABLE :: REVERSE_CONV( : ) ! CHEM to CGRID Species conversion factor\n\n INTEGER :: NUMB_CHEM_SPC = 0\n REAL( 8 ), ALLOCATABLE :: CONC( : ) ! concentration, ppmV\n REAL( 8 ), ALLOCATABLE :: DYDT( : ) ! time derivative of species\n REAL( 8 ), ALLOCATABLE :: JACOBIAN( :,: ) ! mechanism's jacobain matrix\n\n\n INTEGER, PARAMETER :: MAX_NCELLS = 1\n \n CHARACTER( 16 ), ALLOCATABLE :: SPECIES( : )\n \n TYPE SPECIES_BUDGET\n CHARACTER(16) :: SPECIES_NAME = ' '\n INTEGER :: NREACTIONS = 0\n INTEGER, ALLOCATABLE :: IREACTION( : )\n REAL(8), ALLOCATABLE :: COEFF_NET( : )\n INTEGER :: NRXNS_PROD = 0\n INTEGER, ALLOCATABLE :: IRXN_PROD( : )\n REAL(8), ALLOCATABLE :: COEFF_POS( : )\n INTEGER :: NRXNS_LOSS = 0\n INTEGER, ALLOCATABLE :: IRXN_LOSS( : )\n REAL(8), ALLOCATABLE :: COEFF_NEG( : )\n END TYPE SPECIES_BUDGET\n\n TYPE REACTION_EFFECTS\n CHARACTER(16) :: REACTION_LABEL = ' '\n LOGICAL :: LIGHT_DEPENDENT = .FALSE.\n REAL( 8 ) :: RATE = 0.0D0\n INTEGER :: NREACTANTS = 0\n INTEGER :: REACTANT( 3 ) = 0\n INTEGER :: NSPECIES_DESTROYED = 0\n INTEGER, ALLOCATABLE :: ISPECIES_DESTROYED( : )\n REAL(8), ALLOCATABLE :: COEFF_LOSS( : )\n INTEGER :: NSPECIES_PRODUCED = 0\n INTEGER, ALLOCATABLE :: ISPECIES_PRODUCED( : )\n REAL(8), ALLOCATABLE :: COEFF_PROD( : )\n INTEGER :: NSPECIES_NPRODUCED = 0\n INTEGER, ALLOCATABLE :: ISPECIES_NPRODUCED( : )\n REAL(8), ALLOCATABLE :: COEFF_NPROD( : )\n INTEGER :: JACOB_OCCURANCES\n INTEGER, ALLOCATABLE :: JACOB_PARTIAL_INDEX( : )\n INTEGER, ALLOCATABLE :: JACOB_PARTIAL_VECTOR( : )\n INTEGER, ALLOCATABLE :: JACOB_PARTIAL_ROW( : )\n INTEGER, ALLOCATABLE :: JACOB_PARTIAL_COL( : )\n REAL(8), ALLOCATABLE :: JACOB_PARTIAL_COEFF( : )\n END TYPE REACTION_EFFECTS\n \n INTEGER :: JACOBIAN_TERMS = 0\n \n TYPE(REACTION_EFFECTS), ALLOCATABLE :: REACTION_CHART ( : )\n \n INTEGER :: IDX_FMCL = 0\n INTEGER :: DDM_LOG = 6 ! Unit number of output log\n INTEGER :: ERROR_LOG = 6\n LOGICAL :: CHECK_MECHANISM = .FALSE. ! write out Jacobian and derivatives values\n LOGICAL :: CHECK_SORTING = .FALSE. ! write out result of mechanism species sorting\n \n#ifdef verbose_ddm3d\n LOGICAL :: REPORT_CHART = .TRUE. ! write out species derivations and mechanism jacobian\n#else \n LOGICAL :: REPORT_CHART = .FALSE. ! do not write out species derivations and mechanism jacobian\n#endif \n \n!!!!!!REAL( 8 ), ALLOCATABLE :: RKI( : ) ! Rate constants\n REAL( 8 ), ALLOCATABLE :: RKI_SAV( :,: ) ! Rate constants\n REAL( 8 ), ALLOCATABLE :: SYC( :, : ) ! Species concentrations\n\n REAL( 8 ), ALLOCATABLE :: RXRAT( : ) ! Reaction rates\n REAL( 8 ), ALLOCATABLE :: RTOL( : ) ! Species tolerances\n REAL( 8 ), ALLOCATABLE :: PROD( : ) ! Prod of species\n REAL( 8 ), ALLOCATABLE :: LOSS( : ) ! Loss of species\n REAL( 8 ), ALLOCATABLE :: LOSSF( : ) ! Loss Frequency of species\n\n INTEGER, ALLOCATABLE :: JOLD2NEW( :,: ) ! YC species map\n INTEGER, ALLOCATABLE :: JNEW2OLD( :,: ) ! YC species map\n INTEGER, ALLOCATABLE :: ISPECIES_REACTION( :,: ) ! species index for each reaction\n \n INTEGER :: CHANGING_SPECIES = 0 ! mechanism species affected by reactions\n INTEGER :: STEADY_SPECIES = 0 ! mechanism species not affected by reactions\n\n LOGICAL, ALLOCATABLE :: JACOBIAN_FILLED( :,:,: ) ! Is Jacobian position nonzero\n \n LOGICAL :: LSUNLIGHT = .TRUE.\n\n REAL( 8 ), ALLOCATABLE, PRIVATE :: ATMPRES ( : ) ! Cell pressure, Atm\n REAL( 8 ), ALLOCATABLE, PRIVATE :: H2O ( : ) ! Cell H2O mixing ratio (ppmV)\n REAL( 8 ), ALLOCATABLE, PRIVATE :: TEMP ( : ) ! Cell Temperature\n REAL( 8 ), ALLOCATABLE, PRIVATE :: DENS ( : ) ! Cell mass density (kg/m3)\n REAL( 8 ), ALLOCATABLE, PRIVATE :: HET ( :, : ) ! cell heterogeneous reaction rates\n REAL( 8 ), ALLOCATABLE, PRIVATE :: RJIN ( :, : ) ! J-values for a cell\n LOGICAL, ALLOCATABLE, PRIVATE :: LAND ( : ) ! land_zone value for specific cell\n\n LOGICAL :: RESET_JACOBIAN = .FALSE.\n \n CONTAINS\n SUBROUTINE SET_MECHANISM( )\n\n USE RXNS_DATA\n USE RXNS_FUNCTION\n USE UTILIO_DEFN\nC Initialize arrays and maps that store reaction rates in each grid cell and that\nC relate ISAM species to chemistry species\nC\nC Called by chemistry driver\n\n IMPLICIT NONE\n\nC..Includes:\n! INCLUDE SUBST_CONST ! CMAQ constants\n \n CHARACTER( 16 ), PARAMETER :: PNAME = 'SET_MECHANISM' ! Program name\n\nC..arguments: \n\nC..Parameters:\n \n INTEGER :: I, J, RXN, IP, IPNEG, IL, ISPC\n INTEGER :: NCELL\n INTEGER :: IOS\n INTEGER :: C, L, R, S ! Loop indices\n INTEGER :: SPC ! array index\n INTEGER :: MIN_NEW_SPECIES ! Index holder for sort routine\n INTEGER :: MIN_OLD_SPECIES ! Index holder for sort routine\n INTEGER :: MIN_COUNT ! Current minimum number of PD terms in sort\n\n INTEGER INEW, JNEW ! Index for sorted species number\n INTEGER IOLD, JOLD ! Index for old species number\n INTEGER IMINNEW ! Index holder for sort routine\n INTEGER IMINOLD ! Index holder for sort routine\n INTEGER MINVALU ! Current number of PD terms in sort\n\n LOGICAL :: EXISTS \n LOGICAL :: EFLAG \n LOGICAL :: SWAPPING\n\n LOGICAL, SAVE :: INITIALIZED = .FALSE.\n\n CHARACTER( 132 ) :: MSG ! Message text\n CHARACTER( 32 ) :: SWAPPED_NAME\n \n REAL :: HEIGHT\n REAL( 8 ) :: FACTOR ! conversion factor\n \n INTEGER, ALLOCATABLE :: SORTED_COUNT ( : ) ! # of Jacobain partial derivations per species\n INTEGER, ALLOCATABLE :: JACOBIAN_COUNT( : ) ! # of Jacobain partial derivations per species\n CHARACTER( 32 ), ALLOCATABLE :: SWAPPED_NAMES( : )\n \n IF ( INITIALIZED ) RETURN\n EFLAG = .FALSE.\n ERROR_LOG = DDM_LOG\n INITIALIZED = .TRUE.\n \n!!!!!!!!!!!!ALLOCATE( RKI( NRXNS ),\n ALLOCATE(\n & RXRAT( NRXNS ),\n & PROD( NUMB_MECH_SPC),\n & LOSS( NUMB_MECH_SPC),\n & LOSSF( NUMB_MECH_SPC),\n & STAT = IOS )\n \n IF ( IOS .NE. 0 ) THEN\n!!!!!!!!!!!!!!!MSG = 'Error allocating RKI, RXRAT, PROD, LOSS'\n MSG = 'Error allocatin RXRAT, PROD, LOSS'\n WRITE(ERROR_LOG,*)TRIM(MSG)\n EFLAG = .TRUE.\n END IF\n \n ALLOCATE( ATMPRES( MAX_NCELLS ),\n & H2O ( MAX_NCELLS ),\n & TEMP ( MAX_NCELLS ),\n & DENS ( MAX_NCELLS ),\n & HET ( MAX_NCELLS, NHETERO ),\n & RJIN ( MAX_NCELLS, NPHOTAB ),\n & LAND ( MAX_NCELLS ) ,\n & STAT = IOS )\n \n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating ATMPRES, H2O, TEMP, HET, RJIN, LAND '\n WRITE(ERROR_LOG,*)TRIM(MSG)\n EFLAG = .TRUE.\n END IF\n\n IF( NSPECIAL .GT. 0 )THEN\n ALLOCATE( SYC( MAX_NCELLS, NUMB_MECH_SPC ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating SYC'\n WRITE(ERROR_LOG,*)TRIM(MSG)\n EFLAG = .TRUE.\n END IF\n ALLOCATE( RKI_SAV( NRXNS,MAX_NCELLS ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating RKI_SAV'\n WRITE(ERROR_LOG,*)TRIM(MSG)\n EFLAG = .TRUE.\n END IF\n END IF\n\n ALLOCATE( JOLD2NEW( NUMB_MECH_SPC,1 ),\n & JNEW2OLD( NUMB_MECH_SPC,1 ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating JOLD2NEW or JNEW2OLD'\n WRITE(ERROR_LOG,*)TRIM(MSG)\n EFLAG = .TRUE.\n ELSE\n MSG = 'JOLD2NEW or JNEW2OLD allocated'\n WRITE(ERROR_LOG,*)TRIM(MSG)\n END IF\n DO I = 1, NUMB_MECH_SPC\n JOLD2NEW( I,1 ) = I\n JNEW2OLD( I,1 ) = I\n END DO\n\n ALLOCATE( SORTED_COUNT( NUMB_MECH_SPC),\n & JACOBIAN_COUNT( NUMB_MECH_SPC), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating JACOBIAN_COUNT'\n WRITE(ERROR_LOG,*)TRIM(MSG)\n EFLAG = .TRUE.\n END IF\n JACOBIAN_COUNT = 0\n SORTED_COUNT = 0\n \n ALLOCATE( SWAPPED_NAMES( NUMB_MECH_SPC), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating SWAPPED_NAMES'\n WRITE(ERROR_LOG,*)TRIM(MSG)\n EFLAG = .TRUE.\n END IF\n SWAPPED_NAMES = 'BLANK'\n \n ALLOCATE( ISPECIES_REACTION(MXPRD+3,NRXNS), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating ISPECIES_REACTION'\n WRITE(ERROR_LOG,*)TRIM(MSG)\n EFLAG = .TRUE.\n END IF\n DO RXN = 1,NRXNS\n DO SPC = 1,MXPRD+3\n ISPECIES_REACTION( SPC,RXN ) = IRR( RXN,SPC )\n END DO\n END DO\n\n ALLOCATE( DYDT( NUMB_MECH_SPC ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating DYDT array'\n WRITE(ERROR_LOG,*)TRIM(MSG)\n EFLAG = .TRUE.\n END IF\n\n IF ( EFLAG ) THEN\n MSG = 'Above Fatal Error encountered '\n WRITE(ERROR_LOG,*)TRIM(MSG)\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n \n! map species time derivative and jacobian array\n CALL CHART_IRR\n\n! Set the number of Partial derivative terms in the Jacobian and\n! count the number of terms for each species\n DO I = 1, NUMB_MECH_SPC \n DO J = 1, NUMB_MECH_SPC\n IF ( JACOBIAN_FILLED( J,I,1 ) ) THEN\n JACOBIAN_COUNT( J ) = JACOBIAN_COUNT( J ) + 1\n END IF\n END DO\n END DO\n\n! Sort the species, putting all with zero partial derivative \n! terms at the bottom and those with fewest PD terms at top.\n! Set arrays for species with zero PD terms\n STEADY_SPECIES = NUMB_MECH_SPC\n DO JOLD = 1, NUMB_MECH_SPC\n IF ( JACOBIAN_COUNT( JOLD ) .GT. 0 ) THEN\n CHANGING_SPECIES = CHANGING_SPECIES + 1\n JNEW = CHANGING_SPECIES\n JNEW2OLD( JNEW,1 ) = JOLD\n JOLD2NEW( JOLD,1 ) = JNEW\n ELSE\n JNEW2OLD( CHANGING_SPECIES,1 ) = JOLD\n JOLD2NEW( JOLD,1 ) = STEADY_SPECIES\n STEADY_SPECIES = STEADY_SPECIES - 1\n END IF\n END DO\n STEADY_SPECIES = NUMB_MECH_SPC-CHANGING_SPECIES \n IF (CHECK_SORTING )THEN\n WRITE( DDM_LOG,'(A)')'Initial Mechanism Species sorted based on their mechanism activity'\n WRITE( DDM_LOG,'(A,2(I4,1X))')'Changeing Species, Steady State Species ',CHANGING_SPECIES,\n & STEADY_SPECIES \n WRITE( DDM_LOG,'(A16,1X,4(A16,1X))')'ISPECIES', 'Original','Sorted','Check','JCOUNT'\n DO ISPC = 1, CHANGING_SPECIES\n I = JOLD2NEW( ISPC,1 )\n J = JNEW2OLD( I,1 )\n WRITE(DDM_LOG,'(I4,13X,3(A16,1X),I16)')ISPC,\n & CHEMISTRY_SPC(ISPC),CHEMISTRY_SPC(I),CHEMISTRY_SPC(J),JACOBIAN_COUNT(I) \n END DO\n END IF\n\n! Now sort by number of PD terms, fewest at position 1, most at\n! the end position. \n DO JNEW = 1, CHANGING_SPECIES\nc Uncomment the following three lines to turn off species ordering;\nc not recommended since computational efficiency reduced\n! INEW2OLD( JNEW,NCS ) = JNEW\n! IOLD2NEW( JNEW,NCS ) = JNEW\n! IF ( JNEW .NE. 0 ) CYCLE\n JOLD = JNEW2OLD( JNEW,1 )\n MINVALU = JACOBIAN_COUNT( JOLD )\n IMINOLD = JOLD\n IMINNEW = JNEW\n\n DO INEW = JNEW + 1, CHANGING_SPECIES\n IOLD = JNEW2OLD( INEW,1 )\n IF ( JACOBIAN_COUNT( IOLD ) .LT. MINVALU ) THEN\n MINVALU = JACOBIAN_COUNT( IOLD )\n IMINOLD = IOLD\n IMINNEW = INEW\n END IF\n END DO\n\n JNEW2OLD( IMINNEW,1 ) = JOLD\n JNEW2OLD( JNEW,1 ) = IMINOLD\n JOLD2NEW( JOLD,1 ) = IMINNEW\n JOLD2NEW( IMINOLD,1 ) = JNEW\n\n END DO\n DO J = 1,NUMB_MECH_SPC\n JNEW = JOLD2NEW( J,1 )\n SORTED_COUNT(JNEW) = JACOBIAN_COUNT( J )\n END DO\n JACOBIAN_COUNT = SORTED_COUNT\n! Alternative method for sorting species for species names \n! SWAPPED_NAMES = CHEMISTRY_SPC\n! DO J = CHANGING_SPECIES-1,1,-1\n! SWAPPING = .FALSE.\n! DO I = 1,J\n! IF ( JACOBIAN_COUNT(I) .GT. JACOBIAN_COUNT(I+1) )THEN\n! MINVALU = JACOBIAN_COUNT(I+1)\n! JACOBIAN_COUNT(I+1) = JACOBIAN_COUNT(I)\n! JACOBIAN_COUNT(I) = MINVALU\n! SWAPPED_NAME = SWAPPED_NAMES(I+1)\n! SWAPPED_NAMES(I+1) = SWAPPED_NAMES(I)\n! SWAPPED_NAMES(I) = SWAPPED_NAME\n! SWAPPING = .TRUE.\n! END IF\n! END DO\n! IF( .NOT. SWAPPING ) EXIT\n! END DO\n! DO I = 1, NUMB_MECH_SPC\n! WRITE(DDM_LOG,'(I4,1X,A)')I,SWAPPED_NAMES(I)\n! END DO\n! DO J = 1,CHANGING_SPECIES\n! DO I = 1,CHANGING_SPECIES\n! IF( TRIM(CHEMISTRY_SPC(J)) .EQ. TRIM( SWAPPED_NAMES(I) ) )THEN\n! JOLD2NEW(J,1) = I\n! JNEW2OLD(I,1) = J \n! WRITE(DDM_LOG,'(I4,1X,A,2(1X,I4))')J,CHEMISTRY_SPC(J),JOLD2NEW(J,1),JNEW2OLD(I,1)\n! END IF \n! END DO\n! END DO\n IF (CHECK_SORTING )THEN\n! Write sorting results \n WRITE( DDM_LOG,'(A)')'Mechanism Species sorted based on their mechanism activity'\n WRITE( DDM_LOG,'(A,2(I4,1X))')'Changeing Species, Steady State Species ',CHANGING_SPECIES,\n & STEADY_SPECIES \n WRITE( DDM_LOG,'(A16,1X,4(A16,1X))')'ISPECIES', 'Original','Sorted','Check','JCOUNT'\n DO ISPC = 1, NUMB_MECH_SPC\n I = JOLD2NEW( ISPC,1 )\n J = JNEW2OLD( I,1 )\n S = JNEW2OLD( ISPC,1 )\n WRITE(DDM_LOG,'(I4,13X,3(A16,1X),I16)')ISPC,\n & CHEMISTRY_SPC(ISPC),CHEMISTRY_SPC(S),CHEMISTRY_SPC(J),JACOBIAN_COUNT(ISPC)\n \n END DO\n END IF\n \n RESET_JACOBIAN = .TRUE.\n\n! Reset the ISPECIES_REACTION array using the new species order developed above.\n \n DO RXN = 1, NRXNS\n DO I = 1, NREACT( RXN )\n J = ISPECIES_REACTION( I,RXN )\n ISPECIES_REACTION( I,RXN ) = JOLD2NEW( J,1 )\n END DO\n\n DO I = 1, NPRDCT( RXN )\n J = ISPECIES_REACTION( I+3,RXN )\n ISPECIES_REACTION( I+3,RXN ) = JOLD2NEW( J,1 )\n END DO\n END DO\n DEALLOCATE( JACOBIAN_COUNT, SORTED_COUNT )\n \n IF( CHECK_MECHANISM )CHECK_MECHANISM = .FALSE. \n\n95000 FORMAT(I4,1X,A16,' = ',4(ES12.4,', ')) \n95001 FORMAT('At JDATE, JTIME, DTSTEP = ',(I7.7,1X,I6.6,1X,I6.6)) \n95002 FORMAT('At JDATE, JTIME, DTSTEP = ',(I7.7,1X,I6.6,1X,I6.6),\n & ': Sun Down, Photolysis off') \n95003 FORMAT('At JDATE, JTIME, DTSTEP = ',(I7.7,1X,I6.6,1X,I6.6),\n & ': Sun Up, Photolysis on') \n END SUBROUTINE SET_MECHANISM\n SUBROUTINE CHART_IRR()\n\n USE RXNS_DATA\n USE UTILIO_DEFN\nC Initialize arrays and maps that store reaction rates in each grid cell and that\nC relate ISAM species to chemistry species\nC\nC Called by chemistry driver\n\n IMPLICIT NONE\n\nC..Includes:\n! INCLUDE SUBST_CONST ! CMAQ constants\n \n CHARACTER( 16 ), PARAMETER :: PNAME = 'CHART_IRR' ! Program name\n\n INTEGER :: I, J, RXN, IP, IPNEG, IL \n INTEGER :: IPROD, ILOSS, IREACT\n INTEGER :: IOSTAT\n INTEGER :: C, L, R, S ! Loop indices\n INTEGER :: SPC ! array index\n INTEGER :: IOS\n REAL(8) :: COEFF\n\n\n CHARACTER( 132 ) :: MSG ! Message text\n\n! temporary variables to define REACTION_CHART\n\n INTEGER, ALLOCATABLE :: ISPECIES_NPROD( : )\n INTEGER, ALLOCATABLE :: ISPECIES_PROD( : )\n INTEGER, ALLOCATABLE :: ISPECIES_LOSS( : )\n INTEGER, ALLOCATABLE :: COEFF_NPROD( : )\n REAL(8), ALLOCATABLE :: COEFF_PROD( : )\n REAL(8), ALLOCATABLE :: COEFF_LOSS( : ) \n \n INTEGER :: JACOB_OCCURANCES\n INTEGER, ALLOCATABLE :: JACOB_PARTIAL_INDEX( : )\n INTEGER, ALLOCATABLE :: JACOB_PARTIAL_ROW( : )\n INTEGER, ALLOCATABLE :: JACOB_PARTIAL_COL( : )\n REAL(8), ALLOCATABLE :: JACOB_PARTIAL_COEFF( : )\nC=======================================================\n\n !DDM_LOG = 6\n \n ALLOCATE( ISPECIES_NPROD( MXPRD ),\n & ISPECIES_PROD( MXPRD ),\n & ISPECIES_LOSS( 3 ),\n & COEFF_NPROD( MXPRD ),\n & COEFF_PROD( MXPRD ),\n & COEFF_LOSS( 3 ), STAT = IOS ) \n \n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating IREACTION and COEFF_NET arrays'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT2 )\n END IF \n \n ALLOCATE( JACOB_PARTIAL_INDEX(3*NUMB_MECH_SPC*NRXNS),\n & JACOB_PARTIAL_COEFF(3*NUMB_MECH_SPC*NRXNS),\n & JACOB_PARTIAL_ROW(3*NUMB_MECH_SPC*NRXNS), \n & JACOB_PARTIAL_COL(3*NUMB_MECH_SPC*NRXNS), STAT = IOS ) \n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating JACOB arrays'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT2 )\n END IF \n \n! set matrix noting where day/night jacobian of chemistry ODE is always zero.\n ALLOCATE( JACOBIAN_FILLED( NUMB_MECH_SPC,NUMB_MECH_SPC,2 ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating YDOT array'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n JACOBIAN_FILLED = .FALSE.\n DO I = 1, NUMB_MECH_SPC ! set diagonal to to true\n JACOBIAN_FILLED(I,I,1:2) = .TRUE.\n END DO\n \n! find each reaction affect each reactant and product\n ALLOCATE( REACTION_CHART( NRXNS ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating MECHANISM_BUDGET'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT2 )\n END IF \n DO R = 1, NRXNS\n IP = 0\n IL = 0\n IPNEG = 0\n JACOB_OCCURANCES = 0\n JACOB_PARTIAL_INDEX = 0\n JACOB_PARTIAL_COEFF = 0.0D0\n JACOB_PARTIAL_ROW = 0\n JACOB_PARTIAL_COL = 0\n DO SPC = 1, NUMB_MECH_SPC\n COEFF = ASSESS_REACTION( SPC, R, ILOSS, IPROD )\n IF( ABS( COEFF ) .GT. 1.0D-8 )THEN\n IF( COEFF .GT. 0.0D0 )THEN\n IP = IP + 1\n ISPECIES_PROD( IP ) = SPC \n COEFF_PROD ( IP ) = COEFF\n ELSE IF( COEFF .LT. 0.0D0 )THEN\n IF( ILOSS .GT. 0 )THEN\n IL = IL + 1\n ISPECIES_LOSS( IL ) = SPC \n COEFF_LOSS ( IL ) = COEFF\n ELSE\n IP = IP + 1 \n IPNEG = IPNEG + 1\n ISPECIES_PROD( IP ) = SPC \n COEFF_PROD ( IP ) = COEFF\n ISPECIES_NPROD( IPNEG ) = SPC \n COEFF_NPROD ( IPNEG ) = COEFF\n END IF\n END IF\n DO IREACT = 1, NREACT( R )\n JACOB_OCCURANCES = JACOB_OCCURANCES + 1\n JACOB_PARTIAL_ROW(JACOB_OCCURANCES) = SPC\n JACOB_PARTIAL_COL(JACOB_OCCURANCES) = IRR(R,IREACT)\n JACOBIAN_FILLED( SPC, IRR(R,IREACT), 1 ) = .TRUE.\n IF ( KTYPE( R ) .NE. 0 .AND. KTYPE( R ) .NE. 12 ) THEN\n JACOBIAN_FILLED( SPC, IRR(R,IREACT), 2 ) = .TRUE.\n ELSE \n REACTION_CHART( R )%LIGHT_DEPENDENT = .TRUE.\n END IF\n JACOB_PARTIAL_INDEX(JACOB_OCCURANCES) = IREACT\n JACOB_PARTIAL_COEFF(JACOB_OCCURANCES) = COEFF\n END DO \n END IF\n END DO\n IF( JACOB_OCCURANCES .GT. 0 ) THEN\n REACTION_CHART( R )%JACOB_OCCURANCES = JACOB_OCCURANCES\n JACOBIAN_TERMS = JACOBIAN_TERMS + JACOB_OCCURANCES\n ALLOCATE( REACTION_CHART( R )%JACOB_PARTIAL_INDEX ( JACOB_OCCURANCES ),\n & REACTION_CHART( R )%JACOB_PARTIAL_ROW ( JACOB_OCCURANCES ), \n & REACTION_CHART( R )%JACOB_PARTIAL_VECTOR( JACOB_OCCURANCES ),\n & REACTION_CHART( R )%JACOB_PARTIAL_COEFF ( JACOB_OCCURANCES ),\n & REACTION_CHART( R )%JACOB_PARTIAL_COL ( JACOB_OCCURANCES ), STAT = IOS ) \n DO S = 1, JACOB_OCCURANCES\n REACTION_CHART( R )%JACOB_PARTIAL_ROW( S ) = JACOB_PARTIAL_ROW( S )\n REACTION_CHART( R )%JACOB_PARTIAL_COL( S ) = JACOB_PARTIAL_COL( S )\n REACTION_CHART( R )%JACOB_PARTIAL_INDEX ( S ) = JACOB_PARTIAL_INDEX( S )\n REACTION_CHART( R )%JACOB_PARTIAL_VECTOR( S ) = 0\n REACTION_CHART( R )%JACOB_PARTIAL_COEFF ( S ) = JACOB_PARTIAL_COEFF( S )\n END DO \n END IF \n REACTION_CHART( R )%NREACTANTS = NREACT( R )\n REACTION_CHART( R )%REACTANT( 1:3 ) = IRR( R,1:3 )\n IF( IP .GT. 0 )THEN\n REACTION_CHART( R )%NSPECIES_PRODUCED = IP\n ALLOCATE( REACTION_CHART( R )%ISPECIES_PRODUCED( IP ),\n & REACTION_CHART( R )%COEFF_PROD( IP ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating production MECHANISM_BUDGET arrays'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT2 )\n END IF \n REACTION_CHART( R )%ISPECIES_PRODUCED( 1:IP ) = ISPECIES_PROD( 1:IP )\n REACTION_CHART( R )%COEFF_PROD( 1:IP ) = COEFF_PROD( 1:IP ) \n END IF \n IF( IPNEG .GT. 0 )THEN\n REACTION_CHART( R )%NSPECIES_NPRODUCED = IPNEG\n ALLOCATE( REACTION_CHART( R )%ISPECIES_NPRODUCED( IPNEG ),\n & REACTION_CHART( R )%COEFF_NPROD( IPNEG ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating production MECHANISM_BUDGET arrays'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT2 )\n END IF \n REACTION_CHART( R )%ISPECIES_NPRODUCED( 1:IPNEG ) = ISPECIES_NPROD( 1:IPNEG )\n REACTION_CHART( R )%COEFF_NPROD( 1:IPNEG ) = COEFF_NPROD( 1:IPNEG ) \n END IF \n IF( IL .GT. 0 )THEN\n REACTION_CHART( R )%NSPECIES_DESTROYED = IL\n ALLOCATE( REACTION_CHART( R )%ISPECIES_DESTROYED( IL ),\n & REACTION_CHART( R )%COEFF_LOSS( IL ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating production MECHANISM_BUDGET arrays'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT2 )\n END IF \n REACTION_CHART( R )%ISPECIES_DESTROYED( 1:IL ) = ISPECIES_LOSS( 1:IL )\n REACTION_CHART( R )%COEFF_LOSS( 1:IL ) = COEFF_LOSS( 1:IL ) \n END IF \n END DO\n\n\n DEALLOCATE( ISPECIES_LOSS,\n & ISPECIES_PROD,\n & ISPECIES_NPROD,\n & COEFF_PROD,\n & COEFF_NPROD,\n & COEFF_LOSS ) \n\n IF ( REPORT_CHART ) THEN\n! report budget for mechanism reaction chart \n CALL REPORT_REACTION_CHART( DDM_LOG ) \n END IF \n \n END SUBROUTINE CHART_IRR\n SUBROUTINE REPORT_REACTION_CHART( OUT_UNIT )\n! purpose writes out \n USE RXNS_DATA\n\n IMPLICIT NONE\n\n\n!..Arguments:\n INTEGER, INTENT( IN ) :: OUT_UNIT ! output unit #\n \n INTEGER SPC, ISPC, JSPC, KSPC, LSPC\n INTEGER IL, IR, IRXN, NR\n REAL(8) FACTOR\n \n CHARACTER( 56 ), ALLOCATABLE :: RXN_STRING\n CHARACTER( 56 ), ALLOCATABLE :: REACTION_STRING( : )\n \n LOGICAL, SAVE :: REACTION_AFFECTS = .FALSE.\n \n ALLOCATE( REACTION_STRING( NRXNS ) )\n \n IF ( REACTION_AFFECTS ) THEN\n DO IRXN = 1, NRXNS\n RXN_STRING = RXLABEL( IRXN )\n DO NR = 1, NREACT( IRXN )\n IR = IRR( IRXN,NR )\n !IR = JNEW2OLD( IR,1 )\n IF( NR .EQ. 1 )THEN\n RXN_STRING = TRIM( RXN_STRING )\n & // ': ' // TRIM( CHEMISTRY_SPC( IR ) )\n ELSE\n RXN_STRING = TRIM( RXN_STRING ) \n & // ' + ' // TRIM( CHEMISTRY_SPC( IR ) )\n END IF\n END DO \n WRITE(OUT_UNIT,'(A)')TRIM( RXN_STRING ) // ' has below net coefficients and species '\n WRITE(OUT_UNIT,'(4X,A)')'Reactants Lost:'\n DO NR = 1, REACTION_CHART( IRXN )%NSPECIES_DESTROYED\n IR = REACTION_CHART( IRXN )%ISPECIES_DESTROYED( NR )\n !IR = JNEW2OLD( IR,1 )\n WRITE(OUT_UNIT,97001)REACTION_CHART( IRXN )%COEFF_LOSS( NR ),CHEMISTRY_SPC( IR )\n END DO\n IF( REACTION_CHART( IRXN )%NSPECIES_NPRODUCED .GT. 0 )THEN\n WRITE(OUT_UNIT,'(4X,A)')'Products Yielded (Note Negative Product Coefficients):'\n ELSE \n WRITE(OUT_UNIT,'(4X,A)')'Products Yielded:'\n END IF \n DO NR = 1, REACTION_CHART( IRXN )%NSPECIES_PRODUCED\n IR = REACTION_CHART( IRXN )%ISPECIES_PRODUCED( NR )\n !IR = JNEW2OLD( IR,1 )\n WRITE(OUT_UNIT,97001)REACTION_CHART( IRXN )%COEFF_PROD( NR ),CHEMISTRY_SPC( IR )\n END DO\n END DO\n END IF\n! create string containing reactants for individual reactions\n DO IRXN = 1, NRXNS\n REACTION_STRING( IRXN ) = RXLABEL( IRXN )\n DO NR = 1, NREACT( IRXN )\n IR = IRR( IRXN,NR )\n !IR = JNEW2OLD( IR,1 )\n IF( NR .EQ. 1 )THEN\n REACTION_STRING( IRXN ) = TRIM( REACTION_STRING( IRXN ) )\n & // ': ' // TRIM( CHEMISTRY_SPC( IR ) )\n ELSE\n REACTION_STRING( IRXN ) = TRIM( REACTION_STRING( IRXN ) ) \n & // ' + ' // TRIM( CHEMISTRY_SPC( IR ) )\n END IF\n END DO \n END DO \n! write out species loss and production rates\n DO ISPC = 1, NUMB_MECH_SPC\n JSPC = ISPC ! JNEW2OLD( ISPC,1 )\n WRITE(OUT_UNIT,*)\"ISPC, JSPC: \",ISPC,JSPC\n WRITE(OUT_UNIT,'(A)')'LOSS(' // TRIM( CHEMISTRY_SPC( JSPC ) ) // ') = 0.0 '\n DO IRXN = 1, NRXNS\n DO NR = 1, REACTION_CHART( IRXN )%NSPECIES_DESTROYED\n IR = REACTION_CHART( IRXN )%ISPECIES_DESTROYED( NR )\n !IR = JNEW2OLD( IR,1 )\n IF ( IR .EQ. JSPC ) THEN\n FACTOR = REACTION_CHART( IRXN )%COEFF_LOSS( NR )\n IF( FACTOR .GT. 0.0D0 )THEN\n WRITE(OUT_UNIT,97002)'& + ',abs(FACTOR),\n & '*Reaction(' // TRIM( RXLABEL( IRXN ) ) // ') ! '\n & // TRIM( REACTION_STRING( IRXN ) ) \n ELSE\n WRITE(OUT_UNIT,97002)'& - ',abs(FACTOR),\n & '*Reaction(' // TRIM( RXLABEL( IRXN ) ) // ') ! '\n & // TRIM( REACTION_STRING( IRXN ) ) \n END IF\n END IF\n END DO\n END DO \n WRITE(OUT_UNIT,'(A)')'PROD(' // TRIM( CHEMISTRY_SPC( JSPC ) ) // ') = 0.0 '\n DO IRXN = 1, NRXNS\n DO NR = 1, REACTION_CHART( IRXN )%NSPECIES_PRODUCED\n IR = REACTION_CHART( IRXN )%ISPECIES_PRODUCED( NR )\n !IR = JNEW2OLD( IR,1 )\n IF ( IR .EQ. JSPC ) THEN\n FACTOR = REACTION_CHART( IRXN )%COEFF_PROD( NR )\n IF( FACTOR .GT. 0.0D0 )THEN\n WRITE(OUT_UNIT,97002)'& + ',abs(FACTOR),\n & '*Reaction(' // TRIM( RXLABEL( IRXN ) ) // ') ! ' \n & // TRIM( REACTION_STRING( IRXN ) ) \n ELSE\n WRITE(OUT_UNIT,97002)'& - ',abs(FACTOR),\n & '*Reaction(' // TRIM( RXLABEL( IRXN ) ) // ') ! '\n & // TRIM( REACTION_STRING( IRXN ) ) \n END IF\n END IF\n END DO\n END DO \n END DO \n \n! write out Jacobian(i,j) values\n DO ISPC = 1, NUMB_MECH_SPC\n KSPC = ISPC ! JNEW2OLD( ISPC,1 )\n DO JSPC = 1, NUMB_MECH_SPC\n LSPC = JSPC ! JNEW2OLD( JSPC,1 )\n WRITE(OUT_UNIT,'(A)')'JACOBIAN( ' // TRIM( CHEMISTRY_SPC( KSPC ) )\n & // ',' // TRIM( CHEMISTRY_SPC( LSPC ) ) // ' ) = 0.0 '\n DO IRXN = 1, NRXNS\n DO IL = 1, REACTION_CHART( IRXN )%JACOB_OCCURANCES\n IF( REACTION_CHART( IRXN )%JACOB_PARTIAL_ROW( IL ) .EQ. KSPC \n & .AND. REACTION_CHART( IRXN )%JACOB_PARTIAL_COL( IL ) .EQ. LSPC )THEN\n SPC = REACTION_CHART( IRXN )%JACOB_PARTIAL_INDEX( IL )\n !SPC = JNEW2OLD( SPC,1 )\n IF( REACTION_CHART( IRXN )%JACOB_PARTIAL_COEFF( IL ) .GT. 0.0 )THEN\n WRITE(OUT_UNIT,97002)'& + ',\n & abs( REACTION_CHART( IRXN )%JACOB_PARTIAL_COEFF( IL ) ),\n & '*dReaction(' ,TRIM( RXLABEL( IRXN ) ),')/d' // TRIM( CHEMISTRY_SPC( IRR(IRXN,SPC) ) ) \n ELSE\n WRITE(OUT_UNIT,97002)'& - ',abs(REACTION_CHART( IRXN )%JACOB_PARTIAL_COEFF( IL )),\n & '*dReaction(',TRIM( RXLABEL( IRXN ) ),')/d' // TRIM( CHEMISTRY_SPC( IRR(IRXN,SPC) ) ) \n END IF\n END IF\n END DO\n END DO \n END DO\n END DO \n \n97001 FORMAT(7X,F7.4,'*',A)\n97002 FORMAT(5X,A,F8.5,A,A,A)\n\n END SUBROUTINE REPORT_REACTION_CHART\n SUBROUTINE EVALUATE_F_JAC_MECH( YIN, RKI, JAC )\n\nC***********************************************************************\nC\nC Function: Compute the Jacobian matrix, [J] ( Jij = d[dCi/dt]/dCj )\nC\nC Preconditions: None\nC\nC Key Subroutines/Functions Called: None\nC\nC***********************************************************************\n\n USE RXNS_DATA\n\n IMPLICIT NONE\n\nC..Includes:\n\nC..Arguments:\n REAL( 8 ), INTENT( IN ) :: YIN( : ) ! species concs, ppm\n REAL( 8 ), INTENT( IN ) :: RKI( : ) ! Rate constants so reaction rates are ppm//min\n REAL( 4 ), INTENT(OUT) :: JAC( :,:) ! jacobian values \n\nC..Parameters: None\n\nC..External Functions: None\n\nC..Local Variables:\n INTEGER JR1, JR2, JR3 ! Pointer to reactant species conc.\n INTEGER JROW ! Jacobian Row\n INTEGER JCOL ! Jacobian Column\n INTEGER NP ! Loop index over partial derivation terms\n INTEGER IPART ! index for partial derivation of reaction\n INTEGER NRK ! Reaction number\n INTEGER IOS\n \n REAL( 8 ) :: CR2 ! Temporary product for 3 reactant reaction\n REAL( 8 ) :: FRACN ! Stoichiometric coefficient\n REAL( 8 ) :: EXPLIC( 3 ) ! Reaction partial derivatives\n \n LOGICAL, SAVE :: INITIALIZE = .TRUE.\n\n INTEGER, ALLOCATABLE :: JACOBIAN_COL( : )\n INTEGER, ALLOCATABLE :: JACOBIAN_ROW( : )\n CHARACTER(16), ALLOCATABLE :: JACOBIAN_COL_SPECIES( : )\n CHARACTER(16), ALLOCATABLE :: JACOBIAN_ROW_SPECIES( : )\n \nC***********************************************************************\n\n IF( RESET_JACOBIAN )THEN ! reroder row and columns of Jacobian\n ! using sorted species maps\n \n DO NRK = 1, NRXNS\n DO NP = 1, REACTION_CHART( NRK )%JACOB_OCCURANCES \n JROW = REACTION_CHART( NRK )%JACOB_PARTIAL_ROW( NP ) \n JCOL = REACTION_CHART( NRK )%JACOB_PARTIAL_COL( NP ) \n JROW = JOLD2NEW( JROW,1 )\n JCOL = JOLD2NEW( JCOL,1 )\n REACTION_CHART( NRK )%JACOB_PARTIAL_ROW( NP ) = JROW\n REACTION_CHART( NRK )%JACOB_PARTIAL_COL( NP ) = JCOL\n END DO\n END DO\n\n DO NRK = 1, NRXNS\n DO NP = 1,REACTION_CHART( NRK )%NREACTANTS\n JR1 = JOLD2NEW( REACTION_CHART( NRK )%REACTANT( NP ),1 )\n REACTION_CHART( NRK )%REACTANT( NP ) = JR1\n END DO\n END DO\n \n RESET_JACOBIAN = .FALSE.\n\n END IF\n IF( INITIALIZE )THEN\n INITIALIZE = .FALSE.\n END IF\nc...initialize Jacobian\n JAC( :,: ) = 0.0\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Loop over reaction rates adding partial derivatives; EXPLIC\nc holds the values according to number of reactants\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n LOOP_REACTIONS: DO NRK = 1, NRXNS\n IF( REACTION_CHART( NRK )%LIGHT_DEPENDENT .AND. .NOT. LSUNLIGHT )CYCLE \nc...partial derivatives for reactions with 1 reactant\n SELECT CASE ( REACTION_CHART( NRK )%NREACTANTS )\n CASE( 1 ) \n EXPLIC( 1 ) = RKI( NRK ) \nc...partial derivatives for reactions with 2 reactants\n CASE( 2 ) \n JR1 = REACTION_CHART( NRK )%REACTANT( 1 )\n JR2 = REACTION_CHART( NRK )%REACTANT( 2 )\n EXPLIC( 1 ) = RKI( NRK )\n & * YIN( JR2 )\n EXPLIC( 2 ) = RKI( NRK )\n & * YIN( JR1 ) \nc.....partial derivatives for reactions with 3 reactants\n CASE( 3 ) \n JR1 = REACTION_CHART( NRK )%REACTANT( 1 )\n JR2 = REACTION_CHART( NRK )%REACTANT( 2 )\n JR3 = REACTION_CHART( NRK )%REACTANT( 3 )\n CR2 = RKI( NRK ) * YIN( JR2 )\n EXPLIC( 1 ) = CR2 * YIN( JR3 )\n EXPLIC( 2 ) = RKI( NRK )\n & * YIN( JR1 )\n & * YIN( JR3 ) \n EXPLIC( 3 ) = CR2 * YIN( JR1 )\n END SELECT\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Add Reaction's Partial Derivative to Jacobian \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n DO NP = 1, REACTION_CHART( NRK )%JACOB_OCCURANCES \n JROW = REACTION_CHART( NRK )%JACOB_PARTIAL_ROW( NP ) \n JCOL = REACTION_CHART( NRK )%JACOB_PARTIAL_COL( NP ) \n FRACN = REACTION_CHART( NRK )%JACOB_PARTIAL_COEFF( NP )\n IPART = REACTION_CHART( NRK )%JACOB_PARTIAL_INDEX( NP )\n JAC( JROW, JCOL ) = JAC( JROW, JCOL ) + REAL(FRACN * EXPLIC( IPART ) )\n END DO\n END DO LOOP_REACTIONS\n \n IF( .NOT. CHECK_MECHANISM )RETURN\n \n DO JROW = 1, NUMB_MECH_SPC\n JR1 = JROW ! JOLD2NEW( JROW,1 )\n DO JCOL = 1, NUMB_MECH_SPC\n JR2 = JCOL ! JOLD2NEW( JCOL,1 )\n WRITE(6,'(2(I4,1X),A32,ES16.6)')JR1,JR2,\n & 'JACOBIAN( ' // TRIM( CHEMISTRY_SPC( JROW ) )\n & // ',' // TRIM( CHEMISTRY_SPC( JCOL ) ) // ' ) = ', JAC( JR1, JR2 )\n END DO\n END DO \n \n\n RETURN \n END SUBROUTINE EVALUATE_F_JAC_MECH\n SUBROUTINE EVALUATE_F_MECH( YIN, TAIR, DAIR, RKI, YDOT )\n\nC***********************************************************************\nC\nC Function: Compute YDOT = dc/dt for each species. YDOT is the\nC net rate of change in species concentrations resulting\nC from chemical production minus chemical loss.\nC\nC Preconditions: None\nC \nC Key Subroutines/Functions Called: None\nC\nC***********************************************************************\n\n USE RXNS_DATA\n USE RXNS_FUNCTION\n\n\n IMPLICIT NONE\n\nC..Includes:\n\nC..Arguments:\n REAL( 8 ), INTENT( IN ) :: YIN ( : ) ! Species concs, ppm\n REAL( 8 ), INTENT( IN ) :: TAIR ! air temperature, K\n REAL( 8 ), INTENT( IN ) :: DAIR ! air density, Kg/m3\n REAL( 8 ), INTENT( INOUT ) :: RKI ( : ) ! Rate constants so reaction rates are ppm//min\n REAL( 8 ), INTENT( OUT ) :: YDOT( : ) ! Species rates of change, ppm/min\nC..Parameters: None\n\nC..External FUNCTIONS: None\n\nC..Local Variables:\n INTEGER :: ISP ! Loop index for species\n INTEGER :: ISP1, ISP2, ISP3 ! Pointers to species numbers\n INTEGER :: NP ! Loop index for number of products\n INTEGER :: NR ! Loop index for number of reactants\n INTEGER :: NRK ! Loop index for number of reactions\n INTEGER :: NCELL \n\nC*********************************************************************** \n\n IF ( NSPECIAL_RXN .GT. 0 ) THEN ! calculate special rate coefficients\n SYC( NCELL, 1:NUMB_MECH_SPC ) = YIN( 1:NUMB_MECH_SPC ) \n TEMP = TAIR\n DENS = DAIR\n CALL SPECIAL_RATES( 1, SYC, TEMP, DENS, RKI_SAV )\n RKI( 1:NRXNS ) = RKI_SAV( NCELL, 1:NRXNS )\n END IF \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Initialize dc/dt\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n! YDOT = 0.0D0\n PROD = 0.0D0\n LOSS = 0.0D0 \n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Loop over reactions to calculate dc/dt\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n LOOP_REACTIONS: DO NRK = 1, NRXNS\nc..Calculate reaction rate\n SELECT CASE ( REACTION_CHART( NRK )%NREACTANTS )\n CASE( 1 ) \n ISP1 = REACTION_CHART( NRK )%REACTANT( 1 )\n RXRAT( NRK ) = RKI( NRK ) * YIN( ISP1 )\n CASE( 2 ) \nc... reactions with 2 reactants\n ISP1 = REACTION_CHART( NRK )%REACTANT( 1 )\n ISP2 = REACTION_CHART( NRK )%REACTANT( 2 )\n RXRAT( NRK ) = RKI( NRK )\n & * YIN( ISP1 ) \n & * YIN( ISP2 )\n CASE( 3 ) \nc..... reactions with 3 reactants\n ISP1 = REACTION_CHART( NRK )%REACTANT( 1 )\n ISP2 = REACTION_CHART( NRK )%REACTANT( 2 )\n ISP3 = REACTION_CHART( NRK )%REACTANT( 3 )\n RXRAT( NRK) = RKI( NRK )\n & * YIN( ISP1 ) \n & * YIN( ISP2 )\n & * YIN( ISP3 ) \n END SELECT\n\n \nc..Subtract loss terms from dc/dt for this reaction \n DO NR = 1, REACTION_CHART( NRK )%NSPECIES_DESTROYED\n ISP = REACTION_CHART( NRK )%ISPECIES_DESTROYED( NR )\n LOSS( ISP ) = LOSS( ISP )\n & + REACTION_CHART( NRK )%COEFF_LOSS( NR ) \n & * RXRAT( NRK )\n END DO\n WHERE( YIN .GT. 1.000001D-30 )\n LOSSF = ABS(LOSS) / YIN\n ELSE WHERE\n LOSSF = 0.0D0\n END WHERE\nc..Add production terms to dc/dt for this reaction\n DO NP = 1, REACTION_CHART( NRK )%NSPECIES_PRODUCED\n ISP = REACTION_CHART( NRK )%ISPECIES_PRODUCED( NP )\n PROD( ISP ) = PROD( ISP )\n & + REACTION_CHART( NRK )%COEFF_PROD( NP) \n & * RXRAT( NRK )\n END DO\n END DO LOOP_REACTIONS\n\n YDOT = PROD + LOSS\n IF( .NOT. CHECK_MECHANISM )RETURN\n\n !DYDT = YDOT \n DO ISP = 1, NUMB_MECH_SPC\n ISP1 = ISP ! JNEW2OLD (ISP,1)\n WRITE( DDM_LOG,95001 )CHEMISTRY_SPC( ISP1 ),YDOT(ISP),YIN( ISP ) ! PROD( ISP ),LOSS(ISP)\n END DO\n95001 FORMAT( 'YDOT(',A16,') = ',ES16.6,1X,'; CONC = ',ES16.6,1X,ES16.6 ) \n RETURN\n END SUBROUTINE EVALUATE_F_MECH\n REAL(8) FUNCTION EFFECT_REACTION( NAMINDX, NRX, OCCURS )\n\nC-----------------------------------------------------------------------\nC Function: To find net effect on the number of species molecules from a reaction \n \nC Preconditions: None\n \nC Key Subroutines/Functions Called: None\n \nC Revision History:\nC Prototype created by Bill Hutzell, May, 2018\nC-----------------------------------------------------------------------\n USE RXNS_DATA\n\n IMPLICIT NONE\n \nC Includes: None\n \nC Arguments:\n INTEGER, INTENT(IN ) :: NAMINDX ! Index for chemistry species \n INTEGER, INTENT(IN ) :: NRX ! Reaction number\n INTEGER, INTENT(INOUT) :: OCCURS ! Number of products and reaction \n \nC Parameters: None\n\nC External Functions: None \n\nC Local Variables:\n\n CHARACTER( 16 ) :: SPECIS ! Species name to check\n\n INTEGER INDX ! Pointer to reactant or product in CHEMISTRY_SPC array\n INTEGER IRRPNTR ! Pointer to reactant or product in IRR array\n INTEGER N ! Loop index over IRR array\n\n REAL(8) TOTAL ! Sum of molecular production and loss coeffecients\n \nC-----------------------------------------------------------------------\n OCCURS = 0\n TOTAL = 0.0D0\n\n SPECIS = CHEMISTRY_SPC( NAMINDX )\nc..Subtract the number of species molecules lost in this reaction\n DO N = 1, NREACT( NRX )\n INDX = IRR( NRX, N )\n IF ( INDX .EQ. NAMINDX ) THEN\n TOTAL = TOTAL - 1.0D0\n OCCURS = OCCURS + 1\n END IF \n END DO\n \nc..Add the number of species molecules produced in this reaction\n DO N = 1, NPRDCT( NRX )\n IRRPNTR = N + 3\n INDX = IRR( NRX, IRRPNTR )\n IF ( INDX .EQ. NAMINDX ) THEN\n TOTAL = TOTAL + REAL( SC( NRX,N ), 8)\n OCCURS = OCCURS + 1\n END IF \n END DO\n\n EFFECT_REACTION = TOTAL\n\n RETURN\n\n END FUNCTION EFFECT_REACTION\n REAL(8) FUNCTION ASSESS_REACTION( NAMINDX, NRX, OCCUR_R, OCCUR_P )\n\nC-----------------------------------------------------------------------\nC Function: To find net effect on the number of species molecules from a reaction \n \nC Preconditions: None\n \nC Key Subroutines/Functions Called: None\n \nC Revision History:\nC Prototype created by Bill Hutzell, May, 2018\nC-----------------------------------------------------------------------\n USE RXNS_DATA\n\n IMPLICIT NONE\n \nC Includes: None\n \nC Arguments:\n INTEGER, INTENT(IN ) :: NAMINDX ! Index for chemistry species \n INTEGER, INTENT(IN ) :: NRX ! Reaction number\n INTEGER, INTENT(INOUT) :: OCCUR_R ! Number of reactant occurances\n INTEGER, INTENT(INOUT) :: OCCUR_P ! Number of product occurances\n \nC Parameters: None\n\nC External Functions: None \n\nC Local Variables:\n\n CHARACTER( 16 ) :: SPECIS ! Species name to check\n\n INTEGER INDX ! Pointer to reactant or product in CHEMISTRY_SPC array\n INTEGER IRRPNTR ! Pointer to reactant or product in IRR array\n INTEGER N ! Loop index over IRR array\n\n REAL(8) TOTAL ! Sum of molecular production and loss coeffecients\n \nC-----------------------------------------------------------------------\n OCCUR_P = 0\n OCCUR_R = 0\n TOTAL = 0.0D0\n\n SPECIS = CHEMISTRY_SPC( NAMINDX )\nc..Subtract the number of species molecules lost in this reaction\n DO N = 1, NREACT( NRX )\n INDX = IRR( NRX, N )\n IF ( INDX .EQ. NAMINDX ) THEN\n TOTAL = TOTAL - 1.0D0\n OCCUR_R = OCCUR_R + 1\n END IF \n END DO\n \nc..Add the number of species molecules produced in this reaction\n DO N = 1, NPRDCT( NRX )\n IRRPNTR = N + 3\n INDX = IRR( NRX, IRRPNTR )\n IF ( INDX .EQ. NAMINDX ) THEN\n TOTAL = TOTAL + REAL( SC( NRX,N ), 8)\n OCCUR_P = OCCUR_P + 1\n END IF \n END DO\n\n ASSESS_REACTION = TOTAL\n\n RETURN\n\n END FUNCTION ASSESS_REACTION\n !==============================================================================================\n SUBROUTINE WRITE_OUTPUT(T, Y, NAMES, N_ROWS, N_COLS, FNAME)\n !==============================================================================================\n\n ! This subroutine saves the output data from the integration solver such that the first\n ! column contains the time data, and the other columns correspond to the values of\n ! the unknowns at the corresponding times.\n !\n ! input:\n ! t, double precision, dimension(:)\n ! the times the solution was evaluated [n_rows]\n ! y, double precision, dimension(:,:)\n ! the approximate solution at the respetive times [n_rows, n_cols]\n ! n_rows, integer\n ! the number of rows in the approximate solution to write\n ! n_cols, integer\n ! the number of columns in the approximate solution to write\n ! fname, character(len=*)\n ! the file name\n\n USE UTILIO_DEFN\n\n IMPLICIT NONE\n\n DOUBLE PRECISION, INTENT(IN) :: T(:), Y( :,: )\n\n CHARACTER(16), INTENT(IN) :: NAMES( : )\n \n INTEGER, INTENT(IN) :: N_ROWS, N_COLS\n\n CHARACTER*(*), INTENT(IN) :: FNAME\n\n INTEGER :: I, J ! loop counters\n INTEGER :: IOUT ! unit number of output file\n INTEGER :: IOS\n \n IOUT = 101\n \n OPEN(UNIT=IOUT, FILE=FNAME, STATUS='UNKNOWN', IOSTAT=IOS, ERR=1000)\n\n IF ( IOS .NE. 0 ) THEN\n WRITE(ERROR_LOG,95102)\n CALL M3EXIT ( 'WRITE_OUTPUT', 0, 0, ' ', XSTAT2 )\n END IF\n \n ! write the data\n DO I=1, N_ROWS\n IF( I .EQ. 1 )THEN\n WRITE(IOUT,95100)(NAMES(J),J=1,N_COLS)\n END IF\n WRITE(IOUT,95101)I,T(I),(Y(I,J),J=1,N_COLS)\n END DO\n \n CLOSE(IOUT)\n RETURN\n\n1000 WRITE(ERROR_LOG,95102)\n CALL M3EXIT ( 'WRITE_OUTPUT', 0, 0, ' ', XSTAT2 )\n \n95100 FORMAT(16X,\"T(I)\",1001(A16,1X)) \n95101 FORMAT(I3,1X,1001(ES16.6,1X))\n95102 FORMAT('WRITE_OUTPUT: Error opening ASCII initial concentration file')\n\n END SUBROUTINE WRITE_OUTPUT\n END MODULE \n \n \n#endif \n" }, { "path": "CCTM/src/ddm3d/S_PCGRID_DEFN.F", "content": "\nC***********************************************************************\nC Portions of Models-3/CMAQ software were developed or based on *\nC information from various groups: Federal Government employees, *\nC contractors working on a United States Government contract, and *\nC non-Federal sources (including research institutions). These *\nC research institutions have given the Government permission to *\nC use, prepare derivative works, and distribute copies of their *\nC work in Models-3/CMAQ to the public and to permit others to do *\nC so. EPA therefore grants similar permissions for use of the *\nC Models-3/CMAQ software, but users are requested to provide copies *\nC of derivative works to the Government without restrictions as to *\nC use by others. Users are responsible for acquiring their own *\nC copies of commercial software associated with Models-3/CMAQ and *\nC for complying with vendor requirements. Software copyrights by *\nC the MCNC Environmental Modeling Center are used with their *\nC permissions subject to the above restrictions. *\nC***********************************************************************\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/work/rep/CCTM/src/driver/yamo_ddm3d/S_PCGRID_DEFN.F,v 1.1.1.1 2009/09/29 12:58:45 sjr Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n MODULE S_PCGRID_DEFN\n\nC-----------------------------------------------------------------------\nC Function:\nC Create SENGRID target, S_PCGRID. \n\nC Preconditions:\nC Horizontal domain extents must be set (subroutine PAR_INIT -> HGRD_DEFN)\nC Number of species in the species groups must be available (include files\nC in CGRID_SPCS)\nC This module is referenced in driver and sciproc. driver must call HGRD_INIT,\nC CGRID_MAP, and PAR_INIT prior to calling PCGRID_INIT (below).\n\nC Subroutines and functions called:\n\nC Revision history:\nC Apr 00 - Al, David, Jeff - initial implementation\nC Dec 00 - Jeff - add CGRID_MAP \"method\"\nC Jan 01 - Jeff - remove CGRID_MAP \"method\" - now in module CGRID_SPCS\nC Nov 01 - Jeff - correct pointer reference for ping\nC Jul 02 - D. Cohan - created this based on PCGRID_DEFN, for use\nC in sensitivity analysis\nC Jan 04 - D. Cohan - modified for compatibility with Intel compiler\nC Jul 06 - D. Cohan - modified to reflect changes in PCGRID_DEFN.F:\nC Dec 04 - Jeff - dyn alloc - USE VGRD_DEFN\nC Jan 05 - Jeff - dyn alloc - establish both horizontal & vertical\nC domain specifications in one module\nC Nov 12 - S.L. Napelenok - update for cmaq 5.0\nC Oct 15 - S.L. Napelenok - update for cmaq 5.1.1\nC-----------------------------------------------------------------------\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE CGRID_SPCS, ONLY: NSPCSD ! CGRID species number and offsets\n\n IMPLICIT NONE\n\n REAL, ALLOCATABLE, SAVE, TARGET :: S_PCGRID( :,:,:,:,: )\n REAL, ALLOCATABLE, SAVE, TARGET :: S_PCGRID_TEMP( :,:,:,: )\n\n CONTAINS\n FUNCTION S_PCGRID_IN ( NPMAX ) RESULT ( SUCCESS )\n\n USE UTILIO_DEFN\n\n INTEGER :: NPMAX\n LOGICAL :: SUCCESS\n INTEGER :: ALLOCSTAT\n INTEGER, SAVE :: LOGDEV\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n CHARACTER( 120 ) :: XMSG = ' '\n\nC PCGRID extents\n INTEGER :: LCOL\n INTEGER :: HCOL\n INTEGER :: LROW\n INTEGER :: HROW\n\n SUCCESS = .TRUE.\n\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n LOGDEV = INIT3()\n\n#ifdef parallel\n LCOL = 1 - NTHIK\n HCOL = NCOLS + NTHIK\n LROW = 1 - NTHIK\n HROW = NROWS + NTHIK\n#else\n LCOL = 1\n HCOL = NCOLS\n LROW = 1\n HROW = NROWS\n#endif\n\n ALLOCATE \n & ( S_PCGRID( LCOL:HCOL,LROW:HROW,NLAYS,NPMAX,NSPCSD ),\n & S_PCGRID_TEMP( LCOL:HCOL,LROW:HROW,NLAYS,NSPCSD ),\n & STAT = ALLOCSTAT )\n\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating S_PCGRID or S_PCGRID_TEMP'\n CALL M3WARN ( 'S_PCGRID_IN', 0, 0, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\n S_PCGRID = 0.0\n! PCGRID = -999.999\n\n ELSE\n XMSG = 'S_PCGRID or S_PCGRID_TEMP already ALLOCATED'\n CALL M3WARN ( 'S_PCGRID_IN', 0, 0, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\n RETURN\n END FUNCTION S_PCGRID_IN\n\n END MODULE S_PCGRID_DEFN\n" }, { "path": "CCTM/src/ddm3d/aero_sens_calc1.F", "content": "!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC ===================================================================\nC This subroutine calculates first-order sensitivity of ISORROPIAII\nC \nC Written by Wenxian Zhang in August 2011\nC\nC 27 September 2013: Sergey L. Napelenok \nC --- implemented into CMAQv5.0.2\nC 08 September 2014: Sergey L. Napelenok\nC --- some bug fixes and better error reporting\nc 27 February 2015: Sergey L. Napelenok\nc -- disable DGAMA impacts due to instability and fix minor issues\nC\nC Reference: \nC Zhang, W., Capps, S. L., Hu, Y., Nenes, A., Napelenok, S. L., & \nC Russell, A. G. (2012). Development of the high-order decoupled \nC direct method in three dimensions for particulate matter: \nC enabling advanced sensitivity analysis in air quality models. \nC Geoscientific Model Development, 5(2), 355-368. \nC doi: 10.5194/gmd-5-355-2012\nC ===================================================================\n\n#ifdef sens\n SUBROUTINE AERO_SENS_CALC1(STOT,SENS,SENSD,SCASI,FCOL)\n\n\nc USE DDM3D_DEFN, ONLY : WRFLAG\n Use aero_ddm3d, ONLY : cbsens\n USE UTILIO_DEFN ! I/O API\n\nc IMPLICIT NONE\n\n INCLUDE 'isrpia.inc'\n INCLUDE 'aero_sens_data.inc'\n\n DOUBLE PRECISION, INTENT( IN ) :: STOT( : ) ! (input) gas+pm total sensitivity\n DOUBLE PRECISION, INTENT( OUT ) :: SENS( : ) ! (output) partitioned SENSITIVITIES\n DOUBLE PRECISION, INTENT( OUT ) :: SENSD( : ) ! (output) partitioned SENSITIVITIES BEFORE MINOR\n CHARACTER( 15 ), INTENT( IN ) :: SCASI ! (input) subcase number from ISOROPIA\n INTEGER, INTENT( IN ) :: FCOL( : ) ! Flags for matrix reduction\n\n INTEGER FROW( NSEN ) ! Flags for matrix reduction\n DOUBLE PRECISION COEF(NSEN,NSEN) ! COEFFICIENT MATRIX \n DOUBLE PRECISION DGAMA(NIONSPC,NPAIR) ! dGAMA/dA\n \nc LOGICAL, SAVE :: FIRSTIME = .TRUE.\n\nc IF ( FIRSTIME ) THEN\nc FIRSTIME = .FALSE.\nc LOGDEV = INIT3 ()\nc ENDIF\n\n INTEGER I\n\n CC = SCASI(1:1)\n\nC sln 13feb2015 prevent small number from messing up the matrix solution\n DO I = 1,NIONS\n MOLALD(I) = MAX(MOLALD(I),1.0D-12)\n END DO\n GNH3D = MAX(GNH3D,1.0D-15)\n GHNO3D = MAX(GHNO3D,1.0D-15)\n GHCLD = MAX(GHCLD,1.0D-15)\n\n\nC *** INITIALIZE SINI ***\n\n DO I = 1,NSEN\n SINI(I) = 0.0D0\n ENDDO\n \n SINI(iMBNA) = STOT(1) \n SINI(iMBSO4) = STOT(2) \n SINI(iMBNH4) = STOT(3)\n SINI(iMBNO3) = STOT(4)\n SINI(iMBCL) = STOT(5)\n SINI(iMBCA) = STOT(6)\n SINI(iMBK) = STOT(7)\n SINI(iMBMG) = STOT(8)\n\n\nc SINI(iCB) = cbsens\n\nc *** SET ROW AND COL FLAGS ***\n\n CALL FLAGS( FROW, FCOL )\n\n\nC *** CALCULATE DGAMA ***\n\nc IF (CC.EQ.'A'.OR.CC.EQ.'B'.OR.CC.EQ.'C'.OR.\nc & CC.EQ.'D'.OR.CC.EQ.'E'.OR.CC.EQ.'F'.OR.\nc & CC.EQ.'G'.OR.CC.EQ.'H'.OR.CC.EQ.'I'.OR.\nc & CC.EQ.'J') THEN\nc CALL DELGAMA1( DGAMA )\nc ELSE\nc CALL DELGAMA2( DGAMA,frow )\nc ENDIF\n\n DGAMA = 0.0D0 ! set to ignore activity\n\nC *** CALCULATE COEFFICIENT MATRIX ***\n\n CALL AMAT( COEF, FROW, FCOL, DGAMA )\n\nC *** SOLVE SENSITIVITIES ***\n\n CALL EQNSLV( FROW, FCOL, COEF, SENS, SENSD )\n\nC *** ADJUST FOR MINOR SPECIES ***\n\nc DO I = 1,NPAIR\nc SGAMA(I) = 0.D0\nc DO J = 1,NIONSPC\nc SGAMA(I) = SGAMA(I)+DGAMA(J,I)*SENS(J)\nc ENDDO\nc ENDDO\n\n SGAMA = 0.0D0 ! set to ignore activity\n\nc IF (CC.EQ.'B'.OR.CC.EQ.'C') THEN\nc CALL DCALCNH3(SENS)\nc ELSEIF (CC.EQ.'E'.OR.CC.EQ.'F') THEN\nc CALL DCALCNA(SENS)\nc ELSEIF (CC.EQ.'I'.OR.CC.EQ.'J'.OR.\nc & CC.EQ.'L'.OR.CC.EQ.'K') THEN\nc CALL DCALCNHA(SENS)\nc CALL DCALCNH3(SENS)\nc ELSEIF (CC.EQ.'D'.OR.CC.EQ.'G'.OR.CC.EQ.'H'.OR.\nc & CC.EQ.'O'.OR.CC.EQ.'M'.OR.CC.EQ.'P') THEN\nc CALL DCALCHS4(SENS)\nc ENDIF\n\nC *** END OF DDMSENS ***\n RETURN\n END SUBROUTINE AERO_SENS_CALC1\n\nC ============================================================================\nC SET FLAGS FOR MATRIX SUBSTRACTION\nC ============================================================================\n SUBROUTINE FLAGS(FROW,FCOL)\n\nc USE DDM3D_DEFN, ONLY : WRFLAG\n USE UTILIO_DEFN ! I/O API\n\nc IMPLICIT NONE\n\n INCLUDE 'isrpia.inc'\n INCLUDE 'aero_sens_data.inc'\n\n INTEGER FROW(NSEN),FCOL(NSEN)\n\nc INTEGER, SAVE :: LOGDEV\nc LOGICAL, SAVE :: FIRSTIME = .TRUE.\n\nc IF ( FIRSTIME ) THEN\nc FIRSTIME = .FALSE.\nc LOGDEV = INIT3 ()\nc ENDIF\n\n INTEGER I,J,K\n\n \nC *** CLEAR FLAGS ***\n \n DO I = 1,NSEN\n FROW(I) = 0\n FCOL(I) = 0\n ENDDO\n\n CC = SCASE(1:1)\n\n IF (CC.EQ.'A') THEN\n\n FROW(iK1) = 1\n FROW(iK2) = 1\n FROW(iMBSO4) = 1\n FROW(iMBNH4) = 1\n FROW(iCB) = 1\n FROW(iZSR) = 1\n\n FCOL(jNH3) = 1\n FCOL(jNH4) = 1\n FCOL(jH) = 1\n FCOL(jH2O) = 1\n FCOL(jSO4) = 1\n FCOL(jHSO4) = 1\n\n ELSEIF (CC.EQ.'B'.OR.CC.EQ.'C'.OR.CC.EQ.'E'.OR.\n & CC.EQ.'F') THEN\n\n FROW(iK1) = 1\n FROW(iMBSO4) = 1\n FROW(iMBNH4) = 1\n FROW(iCB) = 1\n FROW(iZSR) = 1\n\n FCOL(jNH4) = 1\n FCOL(jH) = 1\n FCOL(jH2O) = 1\n FCOL(jSO4) = 1\n FCOL(jHSO4) = 1 \n\n ELSEIF (CC.EQ.'D') THEN\n\n IF (NONPYS.EQ.1) THEN\n FROW(iK17) = 1\n ELSE \n FROW(iK4) = 1\n ENDIF\n\n FROW(iK2) = 1\n FROW(iMBNO3) = 1\n FROW(iMBSO4) = 1\n FROW(iMBNH4) = 1\n FROW(iCB) = 1\n FROW(iZSR) = 1\n\n FCOL(jNH3) = 1\n FCOL(jNH4) = 1\n FCOL(jH) = 1\n FCOL(jH2O) = 1\n FCOL(jSO4) = 1\n FCOL(jNO3) = 1\n FCOL(jHNO3) = 1 \n\n ELSEIF (CC.EQ.'G'.OR.CC.EQ.'H') THEN\n \n FROW(iK2) = 1\n FROW(iK3) = 1\n FROW(iK4) = 1\n FROW(iMBNO3) = 1\n FROW(iMBSO4) = 1\n FROW(iMBNH4) = 1\n FROW(iMBCL) = 1\n FROW(iMBNA) = 1\n FROW(iCB) = 1\n FROW(iZSR) = 1\n\n FCOL(jNH3) = 1\n FCOL(jNH4) = 1\n FCOL(jH) = 1\n FCOL(jH2O) = 1\n FCOL(jSO4) = 1\n FCOL(jNO3) = 1\n FCOL(jHNO3) = 1\n FCOL(jNA) = 1\n FCOL(jCL) = 1\n FCOL(jHCL) = 1\n \n ELSEIF (CC.EQ.'I'.OR.CC.EQ.'J') THEN\n\n FROW(iK1) = 1\n FROW(iMBSO4) = 1\n FROW(iMBNH4) = 1\n FROW(iMBNA) = 1\n FROW(iCB) = 1\n FROW(iZSR) = 1\n\n FCOL(jNH4) = 1\n FCOL(jH) = 1\n FCOL(jH2O) = 1\n FCOL(jSO4) = 1\n FCOL(jHSO4) = 1\n FCOL(jNA) = 1\n\n ELSEIF (CC.EQ.'K'.OR.CC.EQ.'L') THEN\n \n FROW(iK1) = 1\n FROW(iMBSO4) = 1\n FROW(iMBNH4) = 1\n FROW(iMBNA) = 1\n FROW(iMBK) = 1\n FROW(iMBMG) = 1\n FROW(iCB) = 1\n FROW(iZSR) = 1\n\n FCOL(jNH4) = 1\n FCOL(jH) = 1\n FCOL(jH2O) = 1\n FCOL(jSO4) = 1\n FCOL(jHSO4) = 1\n FCOL(jNA) = 1\n FCOL(jK) = 1\n FCOL(jMG) = 1\n\n ELSEIF (CC.EQ.'O'.OR.CC.EQ.'M'.OR.\n & CC.EQ.'P') THEN\n\n FROW(iK2) = 1\n FROW(iK3) = 1\n FROW(iK4) = 1\n FROW(iMBNO3) = 1\n FROW(iMBSO4) = 1\n FROW(iMBNH4) = 1\n FROW(iMBCL) = 1\n FROW(iMBNA) = 1\n FROW(iMBK) = 1\n FROW(iMBMG) = 1 \n FROW(iCB) = 1\n FROW(iZSR) = 1\n\n FCOL(jNH3) = 1\n FCOL(jNH4) = 1\n FCOL(jH) = 1\n FCOL(jH2O) = 1\n FCOL(jSO4) = 1\n FCOL(jNO3) = 1\n FCOL(jHNO3) = 1\n FCOL(jNA) = 1 \n FCOL(jCL) = 1\n FCOL(jHCL) = 1 \n FCOL(jK) = 1\n FCOL(jMG) = 1\n\n ENDIF \n\n FROW(iZSR) = 0 ! set to ignore water\n FCOL(jH2O) = 0 ! set to ignore water\n\nc sln 11april2017 chlorine partitioning seems to blow up, possibly due to lack of charge balance in isorropia\nc FROW(iK3) = 0\nc FCOL(jHCL) = 0\nc FCOL(jCL) = 0\nc FROW(iMBCL) = 0\n\n NDIM = 0\n DO I = 1,NSEN\n IF (FROW(I).EQ.1) NDIM = NDIM + 1\n ENDDO\n\n RETURN \n END\n\nC ============================================================================\nC CALCULATE dGAMA/dA, A IS IONIC SPECIES FOR A-J CASES\nC ============================================================================\n SUBROUTINE DELGAMA1 ( DGAMA )\n\nc IMPLICIT NONE\n \n INCLUDE 'isrpia.inc'\n INCLUDE 'aero_sens_data.inc'\n INCLUDE 'dact.inc'\n\n DOUBLE PRECISION DF1(NIONSPC,3),DF2(NIONSPC,4)\n DOUBLE PRECISION ZPL,ZMI,XPL,XMI\n DOUBLE PRECISION XIJ,YJI,DXIJ,DYJI\n DOUBLE PRECISION DGAMA(NIONSPC,NPAIR)\n DOUBLE PRECISION SION\n\n DOUBLE PRECISION CH\nc INTEGER, SAVE :: LOGDEV\nc LOGICAL, SAVE :: FIRSTIME = .TRUE.\n\nc IF ( FIRSTIME ) THEN\nc FIRSTIME = .FALSE.\nc LOGDEV = INIT3 ()\nc ENDIF\n\n INTEGER I,J,K\n\nC \nC *** Mapping of electrolyte to ion index ***\nC\n IJMAP(1,1) = mHCL\n IJMAP(1,2) = mH2SO4\n IJMAP(1,3) = mHHSO4\n IJMAP(1,4) = mHNO3\n IJMAP(2,1) = mNACL\n IJMAP(2,2) = mNA2SO4\n IJMAP(2,3) = mNAHSO4\n IJMAP(2,4) = mNANO3\n IJMAP(3,1) = mNH4CL\n IJMAP(3,2) = mNH42S4\n IJMAP(3,3) = mNH4HS4\n IJMAP(3,4) = mNH4NO3\n\nC\nC *** dI/dA ***\nC\n IF (IONIC.GE.100.d0) THEN \n DO I = 1, NIONSPC\n DI(I) = 0.0\n ENDDO\n ELSE\n DI(jH2O) = 0.0\n DO I = 1, NIONS\n DI(I) = 0.5*Z(I)*Z(I)/WATER\n DI(jH2O) = DI(jH2O) + MOLALD(I)*Z(I)*Z(I)\n ENDDO\n DI(jH2O) = -0.5*DI(jH2O)/(WATER*WATER)\n ENDIF\n\nC\nC *** dG0/dA ***\nC\n CALL DKMFUL (NIONSPC,NPAIR,IONIC,SNGL(TEMP),DI,G0P,DG0)\n\nC\nC *** MULTICOMPONENT ACTIVITY COEFFICIENT ***\nC\n AGAMA = 0.511*(298.0/TEMP)**1.5 ! Debye Huckel const. at T\n SION = SQRT(IONIC)\n H = AGAMA*SION/(1+SION)\n DH = 0.5*AGAMA/(SION*(1.+SION)*(1.+SION))\n\n DO K = 1, NIONSPC\n DO I=1,3\n DF1(K,I)=0.0D0\n DF2(K,I)=0.0D0\n ENDDO\n DF2(K,4)=0.0D0\n DO I = 1, NPAIR\n DGAMA(K,I) = 0.0D0\n ENDDO\n ENDDO\n\n DO 100 I=1,3\n ZPL = Z(I)\n XPL = MOLALD(I)/WATER\n DO 100 J=1,4\n ZMI = Z(J+3)\n XMI = MOLALD(J+3)/WATER\n CH = 0.25*(ZPL+ZMI)*(ZPL+ZMI)/IONIC\n XIJ = CH*XPL\n YJI = CH*XMI\n X(I,J) = XIJ\n Y(I,J) = YJI\n\n DO K = 1, NIONSPC\n DXIJ = -XPL*DI(K)/IONIC\n DYJI = -XMI*DI(K)/IONIC\n IF (K.EQ.I) THEN\n DXIJ = DXIJ + 1./WATER\n ELSEIF (K.EQ.J+3) THEN\n DYJI = DYJI + 1./WATER\n ELSEIF (K.EQ.jH2O) THEN\n DXIJ = DXIJ - XPL/WATER\n DYJI = DYJI - XMI/WATER\n ENDIF\n DXIJ = CH*DXIJ\n DYJI = CH*DYJI\n DX(K,I,J) = DXIJ\n DY(K,I,J) = DYJI \n\n DF1(K,I) = DF1(K,I)\n & + G0P(IJMAP(I,J)) * DYJI\n & + YJI * DG0(K,IJMAP(I,J))\n & + ZPL*ZMI*DH * YJI * DI(K)\n & + ZPL*ZMI*H * DYJI\n DF2(K,J) = DF2(K,J)\n & + G0P(IJMAP(I,J)) * DXIJ\n & + XIJ * DG0(K,IJMAP(I,J))\n & + ZPL*ZMI*DH * XIJ * DI(K)\n & + ZPL*ZMI*H * DXIJ\n ENDDO\n\n100 CONTINUE\nC\nC d log10(GAMA)/dA\nC\n DO 110 I=1,3\n ZPL = Z(I)\n DO 110 J=1,4\n ZMI = Z(J+3)\n\n DO K = 1, NIONSPC\n DGAMA(K,IJMAP(I,J)) = ZPL*ZMI * (\n & (DF1(K,I)/ZPL + DF2(K,J)/ZMI) / (ZPL+ZMI)\n & - DH * DI(K) )\n ENDDO\n\n110 CONTINUE\n\n DO K = 1, NIONSPC\n DGAMA(K,mLC) = 0.20 * ( 3.0*DGAMA(K,mNH42S4)\n & + 2.0*DGAMA(K,mNH4HS4) )\n ENDDO\n\n DO I = 1, NPAIR\n IF (GAMA(I).LE.1.d-5 .OR. GAMA(I).GE.1.d5) THEN\n DO K = 1, NIONSPC\n DGAMA(K,I) = 0.0\n ENDDO\n ENDIF\n ENDDO\n\nC\nC *** END OF SUBROUTINE DELGAMA1 ***\nC\n RETURN\n END\n\n\nC ============================================================================\nC CALCULATE dGAMA/dA, A IS IONIC SPECIES FOR O-K CASES\nC ============================================================================\n SUBROUTINE DELGAMA2 ( DGAMA,frow )\n\nc IMPLICIT NONE\n\n INCLUDE 'isrpia.inc'\n INCLUDE 'aero_sens_data.inc'\n INCLUDE 'dact.inc'\n \n DOUBLE PRECISION DF1(NIONSPC,6),DF2A(NIONSPC,4),DF2B(NIONSPC,4)\n DOUBLE PRECISION ZPL,ZMI,XPL,XMI\n DOUBLE PRECISION XIJ,YJI,DXIJ,DYJI\n DOUBLE PRECISION DGAMA(NIONSPC,NPAIR)\n DOUBLE PRECISION SION\n\n DOUBLE PRECISION CH\n\n integer frow(nsen)\n INTEGER I,J,K\n\nC \nC *** Mapping of electrolyte to ion index ***\nC\n IJMAP(1,1) = mHCL\n IJMAP(1,2) = mH2SO4\n IJMAP(1,3) = mHHSO4\n IJMAP(1,4) = mHNO3\n IJMAP(2,1) = mNACL\n IJMAP(2,2) = mNA2SO4\n IJMAP(2,3) = mNAHSO4\n IJMAP(2,4) = mNANO3\n IJMAP(3,1) = mNH4CL\n IJMAP(3,2) = mNH42S4\n IJMAP(3,3) = mNH4HS4\n IJMAP(3,4) = mNH4NO3\n IJMAP(4,1) = mCACL2\n IJMAP(4,2) = mCASO4\n IJMAP(4,3) = 0\n IJMAP(4,4) = mCANO32\n IJMAP(5,1) = mKCL\n IJMAP(5,2) = mK2SO4\n IJMAP(5,3) = mKHSO4\n IJMAP(5,4) = mKNO3\n IJMAP(6,1) = mMGCL2\n IJMAP(6,2) = mMGSO4\n IJMAP(6,3) = 0\n IJMAP(6,4) = mMGNO32\n\nC\nC *** dI/dA ***\nC\n IF (IONIC.GE.100.d0) THEN \n DO I = 1, NIONSPC\n DI(I) = 0.0\n ENDDO\n ELSE\n DI(jH2O) = 0.0\n DO I = 1, NIONS\n DI(I) = 0.5*Z(I)*Z(I)/WATER\n DI(jH2O) = DI(jH2O) + MOLALD(I)*Z(I)*Z(I)\n ENDDO\n DI(jH2O) = -0.5*DI(jH2O)/(WATER*WATER)\n ENDIF\n\nC\nC *** dG0/dA ***\nC\n CALL DKMFUL2 (NIONSPC,NPAIR,IONIC,SNGL(TEMP),DI,G0P,DG0)\nC\nC *** MULTICOMPONENT ACTIVITY COEFFICIENT ***\nC\n AGAMA = 0.511*(298.0/TEMP)**1.5 ! Debye Huckel const. at T\n SION = SQRT(IONIC)\n H = AGAMA*SION/(1+SION)\n DH = 0.5*AGAMA/(SION*(1.+SION)*(1.+SION))\n DO K = 1, NIONSPC\n DO I=1,4\n DF1(K,I)=0.0\n DF2A(K,I)=0.0\n DF2B(K,I)=0.0\n ENDDO\n DF1(K,5)=0.0\n DF1(K,6)=0.0\n DO I = 1, NPAIR\n DGAMA(K,I) = 0.0\n ENDDO\n ENDDO\n\n DO 100 I=1,3\n ZPL = Z(I)\n XPL = MOLALD(I)/WATER\n DO 100 J=1,4\n ZMI = Z(J+3)\n XMI = MOLALD(J+3)/WATER\n CH = 0.25*(ZPL+ZMI)*(ZPL+ZMI)/IONIC\n XIJ = CH*XPL\n YJI = CH*XMI\n X(I,J) = XIJ\n Y(I,J) = YJI\n\n DO K = 1, NIONSPC\n DXIJ = -XPL*DI(K)/IONIC\n DYJI = -XMI*DI(K)/IONIC\n IF (K.EQ.I) THEN\n DXIJ = DXIJ + 1./WATER\n ELSEIF (K.EQ.J+3) THEN\n DYJI = DYJI + 1./WATER\n ELSEIF (K.EQ.jH2O) THEN\n DXIJ = DXIJ - XPL/WATER\n DYJI = DYJI - XMI/WATER\n ENDIF\n DXIJ = CH*DXIJ\n DYJI = CH*DYJI\n DX(K,I,J) = DXIJ\n DY(K,I,J) = DYJI\n\n DF1(K,I) = DF1(K,I)\n & + G0P(IJMAP(I,J)) * DYJI\n & + YJI * DG0(K,IJMAP(I,J))\n & + ZPL*ZMI*DH * YJI * DI(K)\n & + ZPL*ZMI*H * DYJI\n DF2A(K,J) = DF2A(K,J)\n & + G0P(IJMAP(I,J)) * DXIJ\n & + XIJ * DG0(K,IJMAP(I,J))\n & + ZPL*ZMI*DH * XIJ * DI(K)\n & + ZPL*ZMI*H * DXIJ\n ENDDO\n\n100 CONTINUE\n\n DO 110 I=1,3\n ZPL = Z(I)\n DO 110 J=1,4\n ZMI = Z(J+3)\n\n DO K = 1, NIONSPC\n DGAMA(K,IJMAP(I,J)) = ZPL*ZMI * (\n & (DF1(K,I)/ZPL + DF2A(K,J)/ZMI) / (ZPL+ZMI)\n & - DH * DI(K) )\n ENDDO\n\n110 CONTINUE\n\n DO 120 I=4,6\n ZPL = Z(I+4)\n XPL = MOLALD(I+4)/WATER\n\n DO 120 J=1,4\n ZMI = Z(J+3)\n\n IF(J.EQ.3.AND.I.EQ.4) GOTO 120\n IF(J.EQ.3.AND.I.EQ.6) GOTO 120\n IF(J.EQ.2.AND.I.EQ.4) GOTO 120\n\n XMI = MOLALD(J+3)/WATER\n CH = 0.25*(ZPL+ZMI)*(ZPL+ZMI)/IONIC\n XIJ = CH*XPL\n YJI = CH*XMI\n X(I,J) = XIJ\n Y(I,J) = YJI\n DO K = 1, NIONSPC\n DXIJ = -XPL*DI(K)/IONIC\n DYJI = -XMI*DI(K)/IONIC\n IF (K.EQ.I) THEN\n DXIJ = DXIJ + 1./WATER\n ELSEIF (K.EQ.J+3) THEN\n DYJI = DYJI + 1./WATER\n ELSEIF (K.EQ.jH2O) THEN\n DXIJ = DXIJ - XPL/WATER\n DYJI = DYJI - XMI/WATER\n ENDIF\n DXIJ = CH*DXIJ\n DYJI = CH*DYJI\n DX(K,I,J) = DXIJ\n DY(K,I,J) = DYJI\n DF1(K,I) = DF1(K,I)\n & + G0P(IJMAP(I,J)) * DYJI\n & + YJI * DG0(K,IJMAP(I,J))\n & + ZPL*ZMI*DH * YJI * DI(K)\n & + ZPL*ZMI*H * DYJI\n DF2B(K,J) = DF2B(K,J)\n & + G0P(IJMAP(I,J)) * DXIJ\n & + XIJ * DG0(K,IJMAP(I,J))\n & + ZPL*ZMI*DH * XIJ * DI(K)\n & + ZPL*ZMI*H * DXIJ\n ENDDO\n\n 120 CONTINUE\n\n DO 130 I= 4,6\n ZPL = Z(I+4)\n DO 130 J=1,4\n ZMI = Z(J+3)\n\n IF(J.EQ.3.AND.I.EQ.4) GOTO 130\n IF(J.EQ.3.AND.I.EQ.6) GOTO 130\n DO K = 1, NIONSPC\n DGAMA(K,IJMAP(I,J)) = ZPL*ZMI * (\n & (DF1(K,I)/ZPL + DF2B(K,J)/ZMI) / (ZPL+ZMI)\n & - DH * DI(K) )\n ENDDO\n\n130 CONTINUE\n\n DO K = 1, NIONSPC\n DGAMA(K,mLC) = 0.20 * ( 3.0*DGAMA(K,mNH42S4)\n & + 2.0*DGAMA(K,mNH4HS4) )\n ENDDO\n\n\n DO I = 1, NPAIR\n IF (GAMA(I).LE.1.d-5 .OR. GAMA(I).GE.1.d5) THEN\n DO K = 1, NIONSPC\n DGAMA(K,I) = 0.0\n ENDDO\n ENDIF\n ENDDO\n\nC\nC *** END OF SUBROUTINE DELGAMA2 ***\nC\n RETURN\n END\n\nC =============================================================================\nC CALCULATE dG0/dA, CASES A - J\nC =============================================================================\n SUBROUTINE DKMFUL (N,NPAIRS,IONIC,TEMP,DELI,G0,DELG0)\n\n IMPLICIT NONE\n\n INTEGER N, NPAIRS\n REAL IONIC,SION,CUBI,TEMP\n DOUBLE PRECISION DELI(N), G0(NPAIRS), DELG0(N,NPAIRS)\n DOUBLE PRECISION TI, CF1, CF2, CF2D\n\n INTEGER NPAIRD, I, J, K\n PARAMETER (NPAIRD=10) ! Number of ion pairs whose Q value is available\n INTEGER, SAVE :: IG(NPAIRD)\n DATA IG / 1,2,3,4,5,6,7,8,10,11 /\n REAL, SAVE :: ZI(NPAIRD) ! Mapping of Q to the internal order of ion pairs\n DATA ZI / 1., 2., 1., 2., 1., 1., 2., 1., 1., 1. /\n REAL, SAVE :: Q(NPAIRD) ! Kusik-Meissner parameters (see KMFUL)\n DATA Q / 2.23,-0.19,-0.39,-0.25,-1.15,0.82,-0.1,\n & 8.0,2.6,6.0 /\n\nC\n SION = SQRT(IONIC)\n CUBI = IONIC*IONIC*IONIC\n\nC\nC *** Coefficients at 25 oC\nC\n DO I = 1, NPAIRD\n CALL DMKBI(N,Q(I),IONIC,SION,CUBI,ZI(I),G0(IG(I)),DELI,\n & DELG0(1,IG(I)))\n ENDDO\n\nC\nC *** Correct for T other than 298 K\nC\n TI = TEMP-273.0\n IF (ABS(TI-25.0) .GT. 1.0) THEN\n CF1 = 1.125-0.005*TI\n CF2 = (CF1-1.)*(0.039*IONIC**0.92-0.41*SION/(1.+SION))\n CF2D = (CF1-1.)*( .03588/IONIC**.08\n & -.205/(SION*(1.+SION)*(1.+SION)) )\n DO I = 1, NPAIRD\n G0(IG(I)) = CF1*G0(IG(I)) - CF2*ZI(I)\n DO K = 1, N\n DELG0(K,IG(I)) = CF1*DELG0(K,IG(I)) - ZI(I)*CF2D*DELI(K)\n ENDDO\n ENDDO\n ENDIF\nC\n G0( 9) = G0( 6) + G0( 8) - G0(11)\n G0(12) = G0( 1) + G0( 8) - G0(11)\n DO K = 1, N\n DELG0(K, 9) = DELG0(K, 6) + DELG0(K, 8) - DELG0(K,11)\n DELG0(K,12) = DELG0(K, 1) + DELG0(K, 8) - DELG0(K,11)\n ENDDO\n\n RETURN\nC\nC *** END OF SUBROUTINE DDMKMFUL\nC\n END\n\n\nC =============================================================================\nC CALCULATE dG0/dA, CASES O - K\nC =============================================================================\n SUBROUTINE DKMFUL2 (N,NPAIRS,IONIC,TEMP,DELI,G0,DELG0)\n\n IMPLICIT NONE\n\n INTEGER N, NPAIRS\n REAL IONIC,SION,CUBI,TEMP\n DOUBLE PRECISION DELI(N), G0(NPAIRS), DELG0(N,NPAIRS)\n DOUBLE PRECISION TI, CF1, CF2, CF2D\n\n INTEGER NPAIRD, I, K\n PARAMETER (NPAIRD=18) ! Number of ion pairs whose Q value is available\n INTEGER, SAVE :: IG(NPAIRD)\n DATA IG / 1,2,3,4,5,6,7,8,10,11,15,16,17,19,20,21,22,23 /\n REAL, SAVE :: ZI(NPAIRD) ! Mapping of Q to the internal order of ion pairs\n DATA ZI / 1., 2., 1., 2., 1., 1., 2., 1., 1., 1., 2., 2., \n & 2., 1., 1., 4., 2., 2. /\n REAL, SAVE :: Q(NPAIRD) ! Kusik-Meissner parameters (see KMFUL)\n DATA Q / 2.23,-0.19,-0.39,-0.25,-1.15,0.82,-0.1,8.0,2.6,6.0,\n & 0.93,2.4,-0.25,-2.33,0.92,0.15,2.32,2.9 /\nC\nC\n SION = SQRT(IONIC)\n CUBI = IONIC*IONIC*IONIC\nC\nC *** Coefficients at 25 oC\nC\n DO I = 1, NPAIRD\n CALL DMKBI(N,Q(I),IONIC,SION,CUBI,ZI(I),G0(IG(I)),DELI,\n & DELG0(1,IG(I)))\n ENDDO\n\nC\nC *** Correct for T other than 298 K\nC\n TI = TEMP-273.0\n IF (ABS(TI-25.0) .GT. 1.0) THEN\n CF1 = 1.125-0.005*TI\n CF2 = (CF1-1.)*(0.039*IONIC**0.92-0.41*SION/(1.+SION))\n CF2D = (CF1-1.)*( .03588/IONIC**.08\n & -.205/(SION*(1.+SION)*(1.+SION)) )\n DO I = 1, NPAIRD\n G0(IG(I)) = CF1*G0(IG(I)) - CF2*ZI(I)\n DO K = 1, N\n DELG0(K,IG(I)) = CF1*DELG0(K,IG(I)) - ZI(I)*CF2D*DELI(K)\n ENDDO\n ENDDO\n ENDIF\nC\n G0( 9) = G0( 6) + G0( 8) - G0(11)\n G0(12) = G0( 1) + G0( 8) - G0(11)\n G0(18) = G0( 8) + G0(20) - G0(11)\n DO K = 1, N\n DELG0(K, 9) = DELG0(K, 6) + DELG0(K, 8) - DELG0(K,11)\n DELG0(K,12) = DELG0(K, 1) + DELG0(K, 8) - DELG0(K,11)\n DELG0(K,18) = DELG0(K, 8) + DELG0(K,20) - DELG0(K,11)\n ENDDO\n\n RETURN\nC\nC *** END OF SUBROUTINE DKMFUL2\nC\n END\n\n\nC =============================================================================\nC dG0/dA AT 25C\nC =============================================================================\n\n\n SUBROUTINE DMKBI (N,Q,IONIC,SION,CUBI,ZIP,G,DELI,DELG)\nC\n IMPLICIT NONE\n \n INTEGER N, K\n REAL IONIC, SION, CUBI, Q, ZIP\n DOUBLE PRECISION G, DELI(N), DELG(N)\n DOUBLE PRECISION B, C, XX, BI, XX1, XX2, XX3, XX4\n DOUBLE PRECISION LN10\n PARAMETER (LN10=2.30258509299404568402D0)\nC\n B=.75-.065*Q\n C= 1.0\n IF (IONIC.LT.6.0) C=1.+.055*Q*EXP(-.023*CUBI)\n XX=-0.5107*SION/(1.+C*SION)\n BI=(1.+B*(1.+.1*IONIC)**Q-B)\n G =ZIP*LOG10(BI) + ZIP*XX\n XX1 = .1*B*Q*(1.+.1*IONIC)**(Q-1.)/(BI*LN10)\n IF (IONIC.LT.6.0) THEN\n XX2 = 0.5/SION+.003795*Q*CUBI*EXP(-.023*CUBI)\n ELSE\n XX2 = 0.5/SION\n ENDIF\n XX3 = (1.+C*SION)*(1.+C*SION)\n XX4 = ZIP*(XX1-.5107*XX2/XX3)\n\n DO K = 1, N\n \n DELG(K) = XX4 * DELI(K)\n ENDDO\n \nC\nC *** END OF SUBROUTINE DDMMKBI\nC\n RETURN\n END\n\nC =============================================================================\nC PREPARE COEFFICIENT MATRIX\nC =============================================================================\n\n SUBROUTINE AMAT(AM,FROW,FCOL,DGAMA)\n\n USE UTILIO_DEFN\nc USE DDM3D_DEFN, ONLY : WRFLAG\n\nc IMPLICIT NONE\n\n INCLUDE 'isrpia.inc'\n INCLUDE 'aero_sens_data.inc'\n\n INTEGER FROW(NSEN),FCOL(NSEN)\n DOUBLE PRECISION AM(NSEN,NSEN)\n DOUBLE PRECISION DGAMA(NIONSPC,NPAIR)\n\n DOUBLE PRECISION AM_TEMP(NSEN)\n\nc INTEGER, SAVE :: LOGDEV\nc LOGICAL, SAVE :: FIRSTIME = .TRUE.\n\nc IF ( FIRSTIME ) THEN\nc FIRSTIME = .FALSE.\nc LOGDEV = INIT3 ()\nc ENDIF\n\nc DO I = 1,NSEN\nc DO J = 1,NSEN\nc AM(I,J) = 0.D0\nc ENDDO\nc ENDDO\n\n INTEGER I,J,K, iEQ\n REAL*8 C1, C2\n\n\n AM = 0.D0 \n\n iEQ = iK1\n \n IF (FROW(iEQ).EQ.1) THEN\n\n C1 = 3.*LN10\n C2 = -2.*LN10\n DO I = 1, NIONSPC\n AM(iEQ,I) = C1*DGAMA(I,mH2SO4)+C2*DGAMA(I,mHHSO4)\n ENDDO\n\n AM(iEQ,jH) = AM(iEQ,jH) + ONE/MOLALD(jH)\n AM(iEQ,jSO4) = AM(iEQ,jSO4) + ONE/MOLALD(jSO4)\n AM(iEQ,jHSO4) = AM(iEQ,jHSO4) - ONE/MOLALD(jHSO4)\n AM(iEQ,JH2O) = AM(iEQ,JH2O) - ONE/WATER\n ENDIF\n\n iEQ = iK2 \n \n IF (FROW(iEQ).EQ.1) THEN\n IF (CC.EQ.'A') THEN\n C1 = 2.*LN10\n C2 = -2.*LN10\n DO I = 1, NIONSPC\n AM(iEQ,I) = C1*DGAMA(I,mNH4HS4)+C2*DGAMA(I,mHHSO4)\n ENDDO\n ELSE\n C1 = 2.*LN10\n C2 = -2.*LN10\n DO I = 1, NIONSPC\n AM(iEQ,I) = C1*DGAMA(I,mNH4NO3)+C2*DGAMA(I,mHNO3)\n ENDDO\n ENDIF\n AM(iEQ,jH) = AM(iEQ,jH) - ONE/MOLALD(jH)\n AM(iEQ,jNH3) = - ONE/GNH3D\n AM(iEQ,jNH4) = AM(iEQ,jNH4) + ONE/MOLALD(jNH4)\n ENDIF\n\n iEQ = iK3\n\n IF (FROW(iEQ).EQ.1) THEN\n C1 = 2.*LN10\n DO I = 1, NIONSPC\n AM(iEQ,I) = C1*DGAMA(I,mHCL)\n ENDDO\n AM(iEQ,jH) = AM(iEQ,jH) + ONE/MOLALD(jH)\n AM(iEQ,jCL) = AM(iEQ,jCL) + ONE/MOLALD(jCL)\n AM(iEQ,jHCL) = - ONE/GHCLD\n AM(iEQ,JH2O) = AM(iEQ,JH2O) - 2.*ONE/WATER\n ENDIF\n\n\n iEQ = iK4\n\n IF (FROW(iEQ).EQ.1) THEN\n C1 = 2.*LN10\n DO I = 1, NIONSPC\n AM(iEQ,I) = C1*DGAMA(I,mHNO3)\n ENDDO\n AM(iEQ,jH) = AM(iEQ,jH) + ONE/MOLALD(jH)\n AM(iEQ,jNO3) = AM(iEQ,jNO3) + ONE/MOLALD(jNO3)\n AM(iEQ,jHNO3) = - ONE/GHNO3D\n AM(iEQ,JH2O) = AM(iEQ,JH2O) - 2.*ONE/WATER\n ENDIF\n\n iEQ = iK5\n\n IF (FROW(iEQ).EQ.1) THEN\n C1 = 3.*LN10\n DO I = 1, NIONSPC\n AM(iEQ,I) = C1*DGAMA(I,mNA2SO4)\n ENDDO\n AM(iEQ,jNA) = AM(iEQ,jNA) + 2.*ONE/MAX(MOLALD(jNA),TINY)\n AM(iEQ,jSO4) = AM(iEQ,jSO4) + ONE/MOLALD(jSO4)\n AM(iEQ,JH2O) = AM(iEQ,JH2O) - 3.*ONE/WATER\n ENDIF\n\n iEQ = iK6\n\n IF (FROW(iEQ).EQ.1) THEN\n AM(iEQ,jHCL) = ONE/GHCLD\n AM(iEQ,jNH3) = ONE/GNH3D\n ENDIF\n\n iEQ = iK7\n\n IF (FROW(iEQ).EQ.1) THEN\n C1 = 3.*LN10\n DO I = 1, NIONSPC\n AM(iEQ,I) = C1*DGAMA(I,mNH42S4)\n ENDDO\n AM(iEQ,jNH4) = AM(iEQ,jNH4) + 2.*ONE/MOLALD(jNH4)\n AM(iEQ,jSO4) = AM(iEQ,jSO4) + ONE/MOLALD(jSO4)\n AM(iEQ,JH2O) = AM(iEQ,JH2O) - 3.*ONE/WATER\n ENDIF\n\n iEQ = iK8\n\n IF (FROW(iEQ).EQ.1) THEN\n C1 = 2.*LN10\n DO I = 1, NIONSPC\n AM(iEQ,I) = C1*DGAMA(I,mNACL)\n ENDDO\n AM(iEQ,jNA) = AM(iEQ,jNA) + ONE/MAX(MOLALD(jNA),TINY)\n AM(iEQ,jCL) = AM(iEQ,jCL) + ONE/MOLALD(jCL)\n AM(iEQ,JH2O) = AM(iEQ,JH2O) - 2.*ONE/WATER\n ENDIF\n\n iEQ = iK9\n\n IF (FROW(iEQ).EQ.1) THEN\n C1 = 2.*LN10\n DO I = 1, NIONSPC\n AM(iEQ,I) = C1*DGAMA(I,mNANO3)\n ENDDO\n AM(iEQ,jNA) = AM(iEQ,jNA) + ONE/MAX(MOLALD(jNA),TINY)\n AM(iEQ,jNO3) = AM(iEQ,jNO3) + ONE/MOLALD(jNO3)\n AM(iEQ,JH2O) = AM(iEQ,JH2O) - 2.*ONE/WATER\n ENDIF\n\n iEQ = iK10\n\n IF (FROW(iEQ).EQ.1) THEN\n AM(iEQ,jHNO3) = ONE/GHNO3D\n AM(iEQ,jNH3) = ONE/GNH3D\n ENDIF\n\n iEQ = iK11\n\n IF (FROW(iEQ).EQ.1) THEN\n C1 = 2.*LN10\n DO I = 1, NIONSPC\n AM(iEQ,I) = C1*DGAMA(I,mNAHSO4)\n ENDDO\n AM(iEQ,jNA) = AM(iEQ,jNA) + ONE/MAX(MOLALD(jNA),TINY)\n AM(iEQ,jHSO4) = AM(iEQ,jHSO4) + ONE/MOLALD(jHSO4)\n AM(iEQ,JH2O) = AM(iEQ,JH2O) - 2.*ONE/WATER\n ENDIF\n\n iEQ = iK12\n\n IF (FROW(iEQ).EQ.1) THEN\n C1 = 2.*LN10\n DO I = 1, NIONSPC\n AM(iEQ,I) = C1*DGAMA(I,mNH4HS4)\n ENDDO\n AM(iEQ,jNH4) = AM(iEQ,jNH4) + ONE/MOLALD(jNH4)\n AM(iEQ,jHSO4) = AM(iEQ,jHSO4) + ONE/MOLALD(jHSO4)\n AM(iEQ,JH2O) = AM(iEQ,JH2O) - 2.*ONE/WATER\n ENDIF\n\n iEQ = iK13\n\n IF (FROW(iEQ).EQ.1) THEN\n C1 = 5.*LN10\n DO I = 1, NIONSPC\n AM(iEQ,I) = C1*DGAMA(I,mLC)\n ENDDO\n AM(iEQ,jNH4) = AM(iEQ,jNH4) + 3.*ONE/MOLALD(jNH4)\n AM(iEQ,jHSO4) = AM(iEQ,jHSO4) + ONE/MOLALD(jHSO4)\n AM(iEQ,jSO4) = AM(iEQ,jSO4) + ONE/MOLALD(jSO4)\n AM(iEQ,JH2O) = AM(iEQ,JH2O) - 5.*ONE/WATER\n ENDIF\n\n iEQ = iK14\n\n IF (FROW(iEQ).EQ.1) THEN\n C1 = 3.*LN10\n DO I = 1, NIONSPC\n AM(iEQ,I) = C1*DGAMA(I,mCANO32)\n ENDDO\n AM(iEQ,jCA) = AM(iEQ,jCA) + ONE/MOLALD(jCA)\n AM(iEQ,jNO3) = AM(iEQ,jNO3) + 2.*ONE/MOLALD(jNO3)\n AM(iEQ,JH2O) = AM(iEQ,JH2O) - 3.*ONE/WATER\n ENDIF\n\n iEQ = iK15\n\n IF (FROW(iEQ).EQ.1) THEN\n C1 = 3.*LN10\n DO I = 1, NIONSPC\n AM(iEQ,I) = C1*DGAMA(I,mCACL2)\n ENDDO\n AM(iEQ,jCA) = AM(iEQ,jCA) + ONE/MOLALD(jCA)\n AM(iEQ,jCL) = AM(iEQ,jCL) + 2.*ONE/MOLALD(jCL)\n AM(iEQ,JH2O) = AM(iEQ,JH2O) - 3.*ONE/WATER\n ENDIF\n\n iEQ = iK16\n\n IF (FROW(iEQ).EQ.1) THEN\n C1 = 3.*LN10\n DO I = 1, NIONSPC\n AM(iEQ,I) = C1*DGAMA(I,mK2SO4)\n ENDDO\n AM(iEQ,jK) = AM(iEQ,jK) + 2.*ONE/MAX(MOLALD(jK),TINY)\n AM(iEQ,jSO4) = AM(iEQ,jSO4) + ONE/MOLALD(jSO4)\n AM(iEQ,JH2O) = AM(iEQ,JH2O) - 3.*ONE/WATER\n ENDIF\n\n iEQ = iK17\n\n IF (FROW(iEQ).EQ.1) THEN\n C1 = 2.*LN10\n DO I = 1, NIONSPC\n AM(iEQ,I) = C1*DGAMA(I,mKHSO4)\n ENDDO\n AM(iEQ,jK) = AM(iEQ,jK) + ONE/MAX(MOLALD(jK),TINY)\n AM(iEQ,jHSO4) = AM(iEQ,jHSO4) + ONE/MOLALD(jHSO4)\n AM(iEQ,JH2O) = AM(iEQ,JH2O) - 2.*ONE/WATER\n ENDIF\n\n iEQ = iK18\n\n IF (FROW(iEQ).EQ.1) THEN\n C1 = 2.*LN10\n DO I = 1, NIONSPC\n AM(iEQ,I) = C1*DGAMA(I,mKNO3)\n ENDDO\n AM(iEQ,jK) = AM(iEQ,jK) + ONE/MAX(MOLALD(jK),TINY)\n AM(iEQ,jNO3) = AM(iEQ,jNO3) + ONE/MOLALD(jNO3)\n AM(iEQ,JH2O) = AM(iEQ,JH2O) - 2.*ONE/WATER\n ENDIF\n\n iEQ = iK19\n\n IF (FROW(iEQ).EQ.1) THEN\n C1 = 2.*LN10\n DO I = 1, NIONSPC\n AM(iEQ,I) = C1*DGAMA(I,mKCL)\n ENDDO\n AM(iEQ,jK) = AM(iEQ,jK) + ONE/MAX(MOLALD(jK),TINY)\n AM(iEQ,jCL) = AM(iEQ,jCL) + ONE/MOLALD(jCL)\n AM(iEQ,JH2O) = AM(iEQ,JH2O) - 2.*ONE/WATER\n ENDIF\n\n iEQ = iK20\n\n IF (FROW(iEQ).EQ.1) THEN\n C1 = 2.*LN10\n DO I = 1, NIONSPC\n AM(iEQ,I) = C1*DGAMA(I,mMGSO4)\n ENDDO\n AM(iEQ,jMG) = AM(iEQ,jMG) + ONE/MOLALD(jMG)\n AM(iEQ,jSO4) = AM(iEQ,jSO4) + ONE/MOLALD(jSO4)\n AM(iEQ,JH2O) = AM(iEQ,JH2O) - 2.*ONE/WATER\n ENDIF\n\n iEQ = iK21\n\n IF (FROW(iEQ).EQ.1) THEN\n C1 = 3.*LN10\n DO I = 1, NIONSPC\n AM(iEQ,I) = C1*DGAMA(I,mMGNO32)\n ENDDO\n AM(iEQ,jMG) = AM(iEQ,jMG) + ONE/MOLALD(jMG)\n AM(iEQ,jNO3) = AM(iEQ,jNO3) + 2.*ONE/MOLALD(jNO3)\n AM(iEQ,JH2O) = AM(iEQ,JH2O) - 3.*ONE/WATER\n ENDIF\n\n iEQ = iK22\n\n IF (FROW(iEQ).EQ.1) THEN\n C1 = 3.*LN10\n DO I = 1, NIONSPC\n AM(iEQ,I) = C1*DGAMA(I,mMGCL2)\n ENDDO\n AM(iEQ,jMG) = AM(iEQ,jMG) + ONE/MOLALD(jMG)\n AM(iEQ,jCL) = AM(iEQ,jCL) + 2.*ONE/MOLALD(jCL)\n AM(iEQ,JH2O) = AM(iEQ,JH2O) - 3.*ONE/WATER\n ENDIF\n\n iEQ = iMBNA\n\n IF (FROW(iEQ).EQ.1) THEN\n AM(iEQ,jNA) = 1.\n AM(iEQ,jNACL) = 1.\n AM(iEQ,jNA2SO4) = 2.\n AM(iEQ,jNAHSO4) = 1.\n AM(iEQ,jNANO3) = 1.\n ENDIF\n\n iEQ = iMBSO4\n\n IF (FROW(iEQ).EQ.1) THEN\n AM(iEQ,jSO4) = 1.\n AM(iEQ,jHSO4) = 1.\n AM(iEQ,jNH42S4) = 1.\n AM(iEQ,jNH4HS4) = 1.\n AM(iEQ,jNA2SO4) = 1.\n AM(iEQ,jNAHSO4) = 1.\n AM(iEQ,jLC) = 2.\n AM(iEQ,jK2SO4) = 1.\n AM(iEQ,jKHSO4) = 1.\n AM(iEQ,jMGSO4) = 1.\n AM(iEQ,jCASO4) = 1.\n ENDIF\n\n iEQ = iMBNH4\n\n IF (FROW(iEQ).EQ.1) THEN\n AM(iEQ,jNH3) = 1.\n AM(iEQ,jNH4) = 1.\n AM(iEQ,jNH4CL) = 1.\n AM(iEQ,jNH42S4) = 2.\n AM(iEQ,jNH4HS4) = 1.\n AM(iEQ,jNH4NO3) = 1.\n AM(iEQ,jLC) = 3.\n ENDIF\n\n iEQ = iMBNO3\n\n IF (FROW(iEQ).EQ.1) THEN\n AM(iEQ,jHNO3) = 1.\n AM(iEQ,jNO3) = 1.\n AM(iEQ,jNH4NO3) = 1.\n AM(iEQ,jNANO3) = 1.\n AM(iEQ,jCANO32) = 2.\n AM(iEQ,jKNO3) = 1.\n AM(iEQ,jMGNO32) = 2.\n ENDIF\n\n iEQ = iMBCL\n\n IF (FROW(iEQ).EQ.1) THEN\n AM(iEQ,jHCL) = 1.\n AM(iEQ,jCL) = 1.\n AM(iEQ,jNH4CL) = 1.\n AM(iEQ,jNACL) = 1.\n AM(iEQ,jCACL2) = 2.\n AM(iEQ,jKCL) = 1.\n AM(iEQ,jMGCL2) = 2.\n ENDIF\n\n iEQ = iMBCA\n\n IF (FROW(iEQ).EQ.1) THEN\n AM(iEQ,jCA) = 1.\n AM(iEQ,jCACL2) = 1.\n AM(iEQ,jCASO4) = 1.\n AM(iEQ,jCANO32) = 1.\n ENDIF\n\n iEQ = iMBK\n\n IF (FROW(iEQ).EQ.1) THEN\n AM(iEQ,jK) = 1.\n AM(iEQ,jKCL) = 1.\n AM(iEQ,jK2SO4) = 2.\n AM(iEQ,jKHSO4) = 1.\n AM(iEQ,jKNO3) = 1.\n ENDIF\n\n iEQ = iMBMG\n\n IF (FROW(iEQ).EQ.1) THEN\n AM(iEQ,jMG) = 1.\n AM(iEQ,jMGCL2) = 1.\n AM(iEQ,jMGSO4) = 1.\n AM(iEQ,jMGNO32) = 1.\n ENDIF\n\n iEQ = iCB\n IF(MOLALD(jH).LT.TINY) THEN\n AM(iEQ,jH) = 1.\n AM(iEQ,jH2O) = 0\n ELSE\n AM(iEQ,jH) = 1. + XKW*RH*(WATER/MOLALD(jH))**2.\n AM(iEQ,jH2O) = -2.*XKW*RH*WATER/MOLALD(jH)\n ENDIF\n\n AM(iEQ,jNA) = 1.\n AM(iEQ,jNH4) = 1.\n AM(iEQ,jMG) = 2.\n AM(iEQ,jCA) = 2.\n AM(iEQ,jK) = 1.\n AM(iEQ,jSO4) = -2.\n AM(iEQ,jHSO4) = -1.\n AM(iEQ,jCL) = -1.\n AM(iEQ,jNO3) = -1.\n\n iEQ = iZSR\n\n DO I = 1, NSEN\n AM_TEMP(I) = AM(iEQ,I)\n END DO\n\n CALL DZSR(AM_TEMP)\n\n DO I = 1, NSEN\n AM(iEQ,I) = AM_TEMP(I)\n END DO\n\nC\nC *** END OF SUBROUTINE AMAT ***\nC\n RETURN\n END\n\n\n SUBROUTINE DZSR(SW)\n\nc IMPLICIT NONE\n\n INCLUDE 'isrpia.inc'\n INCLUDE 'aero_sens_data.inc'\n\n DOUBLE PRECISION SW(NSEN),TSW(NSEN),RHS\n DOUBLE PRECISION SO4I ,HSOI ,AML5\n DOUBLE PRECISION FRNH4 ,FRCA ,FRK ,FRMG ,FRSO4 ,FRCL ,FRNO3,\n & DFRNH4,DFRCA,DFRK,DFRMG,DFRSO4,DFRCL,DFRNO3\n\n DOUBLE PRECISION HSO4I, FRNA, DFRNA, DDRCL\n\n SW(jH2O) = -1.D0\n RHS = 0.D0\n\n\n FRNH4 = ZERO\n FRCA = ZERO\n FRK = ZERO\n FRMG = ZERO\n FRSO4 = ZERO\n FRCL = ZERO\n FRNO3 = ZERO\n\n IF (CC.EQ.'A') THEN\n SW(jSO4) = 1./M0(mNH42S4)\n SW(jHSO4) = 1./M0(mNH42S4)\n ELSEIF (CC.EQ.'C'.OR.CC.EQ.'F'.OR.\n & CC.EQ.'J'.OR.CC.EQ.'K') THEN\n SW(jSO4) = 1./M0(mH2SO4)\n SW(jHSO4) = 1./M0(mH2SO4)\n SW(jNH4) = -1./M0(mH2SO4) +1./M0(mNH4HS4)\n SW(jNA) = -1./M0(mH2SO4) +1./M0(mNAHSO4)\n SW(jCA) = -1./M0(mH2SO4) +1./M0(mCASO4)\n SW(jK) = -1./M0(mH2SO4) +1./M0(mKHSO4)\n SW(jMG) = -1./M0(mH2SO4) +1./M0(mMGSO4)\n ELSEIF (CC.EQ.'B'.OR.CC.EQ.'E') THEN \n SO4I = MOLALD(jSO4 ) -MOLALD(jH)\n HSO4I = MOLALD(jHSO4) +MOLALD(jH)\n IF (SO4I.LT.HSO4I) THEN\n SW(jSO4) = 1./M0(mLC) -1./M0(mNH4HS4)\n SW(jHSO4) = 1./M0(mNH4HS4)\n SW(jH) = -1./M0(mLC) +2./M0(mNH4HS4)\n ELSE\n SW(jSO4) = 1./M0(mNH42S4)\n SW(jHSO4) = 1./M0(mLC) -1./M0(mNH42S4)\n SW(jH) = 1./M0(mLC) -2./M0(mNH42S4)\n ENDIF\n ELSEIF (CC.EQ.'D') THEN\n SW(jSO4) = 1./M0(mNH42S4)\n SW(jHSO4) = 1./M0(mNH42S4)\n AML5 = MOLALD(3)-2.D0*(MOLALD(jSO4)+MOLALD(jHSO4))\n IF(AML5.LT.MOLALD(jNO3)) THEN\n SW(jNH4) = 1./M0(mNH4NO3)\n SW(jSO4) = SW(jSO4) -2./M0(mNH4NO3)\n SW(jHSO4) = SW(jHSO4) -2./M0(mNH4NO3) \n ELSE\n SW(jNO3) = 1./M0(mNH4NO3)\n ENDIF\n ELSEIF (CC.EQ.'G'.OR.CC.EQ.'O') THEN\n SW(jNA) = 0.5/M0(mNA2SO4) -0.5/M0(mNH42S4)\n SW(jK) = 0.5/M0(mK2SO4) -0.5/M0(mNH42S4)\n SW(jMG) = 1.0/M0(mMGSO4) -1.0/M0(mNH42S4)\n SW(jSO4) = 1./M0(mNH42S4)\n SW(jHSO4) = 1./M0(mNH42S4)\n FRNH4 = MOLALD(jNH4)+MOLALD(jNA)+MOLALD(jK)\n & +MOLALD(jMG)-2.D0*(MOLALD(jSO4)+MOLALD(jHSO4))\n IF (FRNH4.LT.MOLAL(jNO3)) THEN\n SW(jNH4) = 1./M0(mNH4NO3)\n SW(jNA) = SW(jNA) +1./M0(mNH4NO3)\n SW(jSO4) = SW(jSO4) -2./M0(mNH4NO3)\n SW(jHSO4) = SW(jHSO4) -2./M0(mNH4NO3)\n ELSE\n SW(jNO3) = 1./M0(mNH4NO3)\n FRNH4 = FRNH4 - MOLALD(jNO3)\n IF (FRNH4.LT.MOLALD(jCL)) THEN\n SW(jNH4 ) = 1./M0(mNH4CL)\n SW(jNA ) = SW(jNA ) +1./M0(mNH4CL)\n SW(jSO4 ) = SW(jSO4 ) -2./M0(mNH4CL)\n SW(jHSO4) = SW(jHSO4) -2./M0(mNH4CL)\n SW(jNO3 ) = SW(jNO3 ) +1./M0(mNH4CL) \n ELSE\n SW(jCL) = 1./M0(mNH4CL)\n ENDIF\n ENDIF\n ELSEIF (CC.EQ.'H'.OR.CC.EQ.'M') THEN\n RHS = 0.5*SINI(iMBK )/M0(mK2SO4 )\n SW(jK2SO4) = -1./M0(mK2SO4 )\n RHS = RHS +SINI(iMBMG )/M0(mMGSO4 )\n SW(jMGSO4) = -1./M0(mMGSO4 ) \n RHS = RHS +SINI(iMBSO4)/M0(mNA2SO4)\n & -SINI(iMBCA )/M0(mNA2SO4)\n & -0.5*SINI(iMBK )/M0(mNA2SO4)\n & -SINI(iMBMG )/M0(mNA2SO4)\n SW(jNA2SO4) = -1./M0(mNA2SO4)\n FRNA = W(jTNA) -2.*W(jTSO4)\n DFRNA = SINI(iMBNA) -2.*SINI(iMBSO4)\n IF (FRNA.LT.W(jTNO3)) THEN !1)\n RHS = RHS +DFRNA/M0(mNANO3)\n SW(jNANO3) = -1./M0(mNANO3)\n FRNO3 = MOLALD(jNO3) -FRNA + CNANO3\n IF (FRNO3.GT.ZERO) THEN !2) \n IF (FRNO3.LT.MOLALD(jNH4)) THEN !3)\n RHS = RHS -DFRNA/M0(mNH4NO3)\n SW(jNO3) = 1./M0(mNH4NO3)\n SW(jNANO3) = SW(jNANO3) +1./M0(mNH4NO3)\n FRNH4 = MOLALD(jNH4) -FRNO3\n IF (FRNH4.LT.MOLALD(jCL)) THEN !4)\n RHS = RHS +DFRNA/M0(mNH4CL)\n SW(jNH4) = 1./M0(mNH4CL)\n SW(jNO3) = SW(jNO3) -1./M0(mNH4CL)\n SW(jNANO3) = SW(jNANO3) -1./M0(mNH4CL)\n ELSE !4)\n SW(jCL) = 1./M0(mNH4CL)\n ENDIF !4)\n ELSE !3)\n SW(jNH4) = 1./M0(mNH4NO3)\n ENDIF !3)\n ELSE !2)\n IF (MOLALD(jCL).LT.MOLALD(jNH4)) THEN !3)\n SW(jCL) = 1./M0(mNH4CL)\n ELSE !3)\n SW(jNH4) = 1./M0(mNH4CL)\n ENDIF !3)\n ENDIF !2)\n ELSE !1)\n RHS = RHS + SINI(iMBNO3)/M0(mNANO3)\n SW(jNANO3) = -1./M0(mNANO3)\n FRNA = FRNA - W(jTNO3)\n DFRNA = DFRNA - SINI(iMBNO3)\n IF (FRNA.LT.W(jTCL)) THEN !2)\n RHS = RHS +DFRNA/M0(mNACL)\n SW(jNACL) = -1./M0(mNACL)\n FRCL = MOLALD(jCL) -FRNA +CNACL\n FRNH4 = MOLALD(jNH4)\n IF (FRCL.GT.ZERO) THEN !3)\n IF (FRCL.LT.FRNH4) THEN !4)\n RHS = RHS -DFRNA/M0(mNH4CL)\n SW(jCL) = 1./M0(mNH4CL)\n SW(jNACL) = SW(jNACL) +1./M0(mNH4CL)\n ELSE !4)\n SW(jNH4) = 1./M0(mNH4CL)\n ENDIF !4)\n ENDIF !3)\n ELSE !2)\n RHS = RHS + SINI(iMBCL)/M0(mNACL)\n SW(jNACL) = -1./M0(mNACL)\n ENDIF !2)\n ENDIF !1)\n ELSEIF (CC.EQ.'I') THEN\n CALL DCALCI1A(TSW)\n RHS = TSW(jNA2SO4)/M0(mNA2SO4) +TSW(jNAHSO4)/M0(mNAHSO4)\n & +TSW(jNH42S4)/M0(mNH42S4) +TSW(jNH4HS4)/M0(mNH4HS4)\n & +TSW(jLC) /M0(mLC)\n SW(jNA2SO4) = -1./M0(mNA2SO4)\n SW(jNAHSO4) = -1./M0(mNAHSO4)\n SW(jNH42S4) = -1./M0(mNH42S4)\n SW(jNH4HS4) = -1./M0(mNH4HS4)\n SW(jLC) = -1./M0(mLC)\n ELSEIF (CC.EQ.'P') THEN\n\n IF(W(jTSO4).LT.W(jTCA)) THEN !CASO4,K2SO4,MGSO4\n FRCA = W(jTCA)-W(jTSO4) \n DFRCA = SINI(iMBCA)-SINI(iMBSO4)\n FRK = W(jTK)\n DFRK = SINI(iMBK)\n FRMG = W(jTMG)\n DFRMG = SINI(iMBMG)\n ELSE\n FRCA = ZERO\n FRSO4 = W(jTSO4)-W(jTCA)\n DFRSO4 = SINI(iMBSO4) -SINI(iMBCA)\n IF(FRSO4.LT.0.5*W(jTK)) THEN\n RHS = DFRSO4/M0(mK2SO4)\n FRK = W(jTK)-2.*FRSO4\n DFRK = SINI(iMBK) -2.*DFRSO4\n FRMG = W(jTMG)\n DFRMG = SINI(iMBMG)\n ELSE\n RHS = 0.5*SINI(iMBK)/M0(mK2SO4)\n FRK = ZERO\n FRSO4 = FRSO4 -0.5*W(jTK)\n DFRSO4 = DFRSO4 -0.5*SINI(iMBK)\n RHS = RHS +DFRSO4/M0(mMGSO4)\n FRMG = W(jTMG)-FRSO4\n DFRMG = SINI(iMBMG) -DFRSO4\n ENDIF\n ENDIF\n IF(W(jTNA).LT.W(jTCL)) THEN !NACL\n FRNA = ZERO\n DFRNA = ZERO\n FRCL = W(jTCL) -W(jTNA)\n DFRCL = SINI(iMBCL) -SINI(iMBNA)\n RHS = RHS +SINI(iMBNA)/M0(mNACL)\n ELSE\n FRCL = ZERO\n DDRCL = ZERO\n FRNA = W(jTNA) -W(jTCL)\n DFRNA = SINI(iMBNA) -SINI(iMBCL)\n RHS = RHS +SINI(iMBCL)/M0(mNACL)\n ENDIF\n\n IF(FRCA.GT.ZERO) THEN !CANO32\n IF(FRCA.LT.0.5*W(jTNO3)) THEN\n RHS = RHS + DFRCA/M0(mCANO32)\n FRCA = ZERO\n DFRCA = ZERO\n FRNO3 = W(jTNO3) - 2.*FRCA\n DFRNO3 = SINI(iMBNO3) - 2.*DFRCA\n ELSE\n RHS = RHS + 0.5*SINI(iMBNO3)/M0(mCANO32)\n FRNO3 = ZERO\n DFRNO3 = ZERO\n FRCA = FRCA - 0.5*W(jTNO3)\n DFRCA = DFRCA - 0.5*SINI(iMBNO3)\n ENDIF\n ENDIF\n\n IF(FRCA.GT.ZERO.AND.FRCL.GT.ZERO) THEN !CACL2\n IF(FRCA.LT.0.5*FRCL) THEN\n RHS = RHS + DFRCA/M0(mCACL2)\n FRCA = ZERO\n DFRCA = ZERO\n FRCL = FRCL - 2.*FRCA\n DFRCL = DFRCL - 2.*DFRCA\n ELSE\n RHS = RHS + 0.5*DFRCL/M0(mCACL2)\n FRCL = ZERO\n DFRCL = ZERO\n FRCA = FRCA - 0.5*FRCL\n DFRCA = DFRCA - 0.5*DFRCL\n ENDIF\n ENDIF \n\n IF(FRMG.GT.ZERO.AND.FRNO3.GT.ZERO) THEN !MGNO32\n IF(FRMG.LT.0.5*FRNO3) THEN\n RHS = RHS +DFRMG/M0(mMGNO32)\n FRMG = ZERO\n DFRMG = ZERO\n FRNO3 = FRNO3 -2.*FRMG\n DFRNO3 = DFRNO3 -2.*DFRMG\n ELSE\n RHS = RHS + 0.5*DFRNO3/M0(mMGNO32)\n FRNO3 = ZERO\n DFRNO3 = ZERO\n FRMG = FRMG - 0.5*FRNO3\n DFRMG = DFRMG - 0.5*DFRNO3\n ENDIF\n ENDIF\n\n IF(FRMG.GT.ZERO.AND.FRCL.GT.ZERO) THEN !MGCL2\n IF(FRMG.LT.0.5*FRCL) THEN\n RHS = RHS + DFRMG/M0(mMGCL2)\n FRMG = ZERO\n DFRMG = ZERO\n FRCL = FRCL - 2.*FRMG\n DFRCL = DFRCL - 2.*DFRMG\n ELSE\n RHS = RHS + 0.5*DFRCL/M0(mMGCL2)\n FRCL = 0.0\n DFRCL = 0.0\n FRMG = FRMG - 0.5*FRCL\n DFRMG = DFRMG - 0.5*DFRCL\n ENDIF\n ENDIF\n\n IF(FRNA.GT.ZERO.AND.FRNO3.GT.ZERO) THEN !NANO3\n IF(FRNA.LT.FRNO3) THEN\n RHS = RHS + DFRNA/M0(mNANO3)\n FRNA = ZERO\n DFRNA = ZERO\n FRNO3 = FRNO3 - FRNA\n DFRNO3 = DFRNO3 - DFRNA\n ELSE\n RHS = RHS + DFRNO3/M0(mNANO3)\n FRNO3 = ZERO\n DFRNO3 = ZERO\n FRNA = FRNA - FRNO3\n DFRNA = DFRNA - DFRNO3\n ENDIF\n ENDIF\n\n IF(FRK.GT.ZERO.AND.FRCL.GT.ZERO) THEN !KCL\n IF(FRK.LT.FRCL) THEN\n RHS = RHS + DFRK/M0(mKCL)\n FRK = ZERO\n DFRK = ZERO\n FRCL = FRCL - FRK\n DFRCL = DFRCL - DFRK\n ELSE\n RHS = RHS + DFRCL/M0(mKCL)\n FRCL = ZERO\n DFRCL = ZERO\n FRK = FRK - FRCL\n DFRK = DFRK - DFRCL\n ENDIF\n ENDIF\n\n IF(FRK.GT.ZERO.AND.FRNO3.GT.ZERO) THEN !KNO3\n IF(FRK.LT.FRNO3) THEN\n RHS = RHS + DFRK/M0(mKNO3)\n FRK = ZERO\n DFRK = ZERO\n FRNO3 = FRNO3 - FRK\n DFRNO3 = DFRNO3 - DFRK\n ELSE\n RHS = RHS + DFRNO3/M0(mKNO3)\n FRNO3 = ZERO\n DFRNO3 = ZERO\n FRK = FRK - FRNO3\n DFRK = DFRK - DFRNO3\n ENDIF\n ENDIF\n\n ELSEIF(CC.EQ.'L') THEN\n CALL DCALCL1A(TSW)\n RHS = TSW(jNA2SO4)/M0(mNA2SO4) +TSW(jNAHSO4)/M0(mNAHSO4)\n & +TSW(jNH42S4)/M0(mNH42S4) +TSW(jNH4HS4)/M0(mNH4HS4)\n & +TSW(jLC) /M0(mLC) +TSW(jK2SO4 )/M0(mK2SO4 )\n & +TSW(jMGSO4 )/M0(mMGSO4 ) +TSW(jKHSO4 )/M0(mKHSO4 )\n SW(jNA2SO4) = -1./M0(mNA2SO4)\n SW(jNAHSO4) = -1./M0(mNAHSO4)\n SW(jNH42S4) = -1./M0(mNH42S4)\n SW(jNH4HS4) = -1./M0(mNH4HS4)\n SW(jLC ) = -1./M0(mLC )\n SW(jK2SO4 ) = -1./M0(mK2SO4 )\n SW(jMGSO4 ) = -1./M0(mMGSO4 )\n SW(jKHSO4 ) = -1./M0(mKHSO4 ) \n ENDIF\n\n SINI(iZSR) = -RHS\nC\nC *** END OF SUBROUTINE DZSR\nC\n RETURN\n END\n\n SUBROUTINE DCALCI1A(TSW)\n \nc IMPLICIT NONE\n\n INCLUDE 'isrpia.inc'\n INCLUDE 'aero_sens_data.inc'\n\n DOUBLE PRECISION TSW(NSEN)\n DOUBLE PRECISION FRSO4\n INTEGER I,J,K\n\n DO I = 1, NSEN\n TSW(I) = 0.0\n ENDDO\n\n TSW(jNA2SO4) = .5*SINI(iMBNA)\n FRSO4 = W(jTSO4) -0.5D0*W(jTNA) -2.D0*W(jTNH4)/3.D0\n IF (FRSO4.LE.TINY) THEN\n TSW(jLC) = 2.*SINI(iMBSO4) -SINI(iMBNA) -SINI(iMBNH4)\n TSW(jNH42S4) = 2.*SINI(iMBNH4) -3.*SINI(iMBSO4) +1.5*SINI(iMBNA)\n ELSE\n IF (FRSO4.LE.W(jTNH4)/3.D0) THEN\n TSW(jNH4HS4) = 3.*SINI(iMBSO4) -1.5*SINI(iMBNA)\n & -2.*SINI(iMBNH4)\n TSW(jLC) = SINI(iMBNH4) -SINI(iMBSO4) +.5*SINI(iMBNA)\n ELSE\n TSW(jNH4HS4) = SINI(iMBNH4)\n IF (0.5D0*W(jTNA).GT.TINY) THEN\n TSW(jNAHSO4) = 2.*SINI(iMBSO4) -SINI(iMBNA) -2.*SINI(iMBNH4)\n TSW(jNA2SO4) = SINI(iMBNH4) +SINI(iMBNA) -SINI(iMBSO4)\n ENDIF\n ENDIF\n ENDIF \nC\nC *** END OF DCALCI1A\nC\n RETURN\n END\n \n SUBROUTINE DCALCL1A(TSW)\n\nc IMPLICIT NONE\n\n INCLUDE 'isrpia.inc'\n INCLUDE 'aero_sens_data.inc'\n\n DOUBLE PRECISION TSW(NSEN)\n DOUBLE PRECISION FRSO4\n INTEGER I,J,K\n\n DOUBLE PRECISION DFRSO4, FRSO4T, DFRSO4T\n\n DO I = 1, NSEN\n TSW(I) = 0.0\n ENDDO\n\n FRSO4 = W(jTSO4) -W(jTCA)\n DFRSO4 = SINI(iMBSO4) -SINI(iMBCA)\n TSW(jK2SO4) = 0.5D0*SINI(iMBK)\n FRSO4 = FRSO4 -0.5D0*W(jTK)\n DFRSO4 = DFRSO4 -0.5D0*SINI(iMBK)\n TSW(jNA2SO4) = 0.5D0*SINI(iMBNA)\n FRSO4 = FRSO4 -0.5D0*W(jTNA)\n DFRSO4 = DFRSO4 -0.5D0*SINI(iMBNA)\n TSW(jMGSO4) = SINI(iMBMG)\n FRSO4 = FRSO4 -W(jTMG)\n DFRSO4 = DFRSO4 -SINI(iMBMG)\n \n FRSO4T = FRSO4 -2.D0*W(jTNH4)/3.D0\n DFRSO4T = DFRSO4 -2.D0*SINI(iMBNH4)/3.D0\n IF (FRSO4T.LE.TINY) THEN\n TSW(jLC) = 2.D0*DFRSO4 -SINI(iMBNH4)\n TSW(jNH42S4) = 2.D0*SINI(iMBNH4) -3.D0*DFRSO4\n ELSE\n FRSO4 = FRSO4T\n DFRSO4 = DFRSO4T\n IF (FRSO4T.LE.W(jTNH4)/3.D0) THEN\n TSW(jNH4HS4) = 3.D0*DFRSO4\n TSW(jLC) = SINI(iMBNH4)/3.D0 -DFRSO4\n ELSE\n TSW(jNH4HS4) = SINI(iMBNH4)\n IF (0.5D0*W(jTNA).GT.TINY) THEN\n FRSO4 = FRSO4 - W(jTNH4)/3.D0\n IF (FRSO4.GT.ZERO) THEN\n DFRSO4 = DFRSO4 -SINI(iMBNH4)/3.D0\n TSW(jNAHSO4) = 2.D0*DFRSO4\n TSW(jNA2SO4) = TSW(jNA2SO4)-DFRSO4\n ENDIF\n ENDIF\n IF (0.5D0*W(jTK).GT.TINY) THEN\n FRSO4 = FRSO4 - W(jTNH4)/3.D0\n IF (FRSO4.GT.ZERO) THEN\n DFRSO4 = DFRSO4 -SINI(iMBNH4)/3.D0\n TSW(jKHSO4 ) = 2.D0*DFRSO4\n TSW(jK2SO4 ) = TSW(jK2SO4)-DFRSO4\n ENDIF\n ENDIF\n ENDIF\n ENDIF \nC\nC *** END OF DCALCI1A\nC\n RETURN\n END\n\n\n SUBROUTINE EQNSLV(FROW,FCOL,COEF,SENS,SENSD)\n\nc USE DDM3D_DEFN, ONLY : WRFLAG\n USE UTILIO_DEFN ! I/O API\n USE RUNTIME_VARS, ONLY: LOGDEV\n\nc IMPLICIT NONE\n \n INCLUDE 'isrpia.inc'\n INCLUDE 'aero_sens_data.inc'\n\n INTEGER FROW(NSEN),FCOL(NSEN)\n DOUBLE PRECISION COEF(NSEN,NSEN)\n DOUBLE PRECISION SENS(NSEN),SENSD(NSEN)\n DIMENSION IPVT(NDIM)\n DOUBLE PRECISION AA(NDIM,NDIM),BB(NDIM)\n DOUBLE PRECISION AAT(NDIM*NDIM)\n INTEGER I,J,K\n INTEGER ICOL, INFO, IROW, IPVT\n\nc INTEGER, SAVE :: LOGDEV\nc LOGICAL, SAVE :: FIRSTIME = .TRUE.\n\nc IF ( FIRSTIME ) THEN\nc FIRSTIME = .FALSE.\nc LOGDEV = INIT3 ()\nc ENDIF\n\n\nC\nC *** ELIMINATE A-MATRIX AND B-VECTOR ***\nC\n I = 0\n DO IROW = 1,NSEN\n IF(FROW(IROW).EQ.1) THEN\n I = I+1\n J = 0\n DO ICOL = 1,NSEN\n IF(FCOL(ICOL).EQ.1) THEN\n J = J+1\n AA(I,J) = COEF(IROW,ICOL)\n ENDIF\n ENDDO\n BB(I) = SINI(IROW)\n ENDIF\n ENDDO\n\n\nC\nC *** LU-DECOMPOSITION ***\nC\n K = 0\n DO J = 1,NDIM\n DO I = 1,NDIM\n K = K+1\n AAT(K) = AA(I,J)\n ENDDO\n ENDDO\n\n INFO = 0\n CALL dgefa(AAT,NDIM,NDIM,IPVT,INFO)\n\n IF (INFO.NE.0) THEN\n WRITE(LOGDEV,*) 'ERROR IN DGEFA'\n\n write(LOGDEV,*) 'IONS', MOLALD\n write(LOGDEV,*) 'GASES', GNH3, GHNO3, GHCL, GNH3D, GHNO3D, GHCLD\n write(LOGDEV,*) 'WATER', WATER\n\n WRITE(LOGDEV,*) 'ISOROPIA case = ',SCASE\n WRITE(LOGDEV,*) 'ISOROPIA W =',W\n WRITE(LOGDEV,*) 'ndim = ',ndim\n WRITE(LOGDEV,*) 'frow = ',frow\n WRITE(LOGDEV,*) 'fcol = ',fcol\n WRITE(LOGDEV,*) 'AA = '\n do i = 1,ndim\n write(LOGDEV,*), i\n write(LOGDEV,*) (AA(i,j),j=1,ndim)\n enddo\n write(LOGDEV,*) 'BB = ',(BB(i),i=1,ndim)\n STOP\n ENDIF\nC\nC *** SOLVE THE EQUATION SYSTEM ***\nC\n CALL dgesl(AAT,NDIM,NDIM,IPVT,BB,0)\n\nC\nC *** MAP SENSITIVITIES ***\nC\n I = 0\n DO ICOL = 1,NSEN\n IF(FCOL(ICOL).EQ.1) THEN\n I = I+1\n SENSD(ICOL) = BB(I)\n SENS(ICOL ) = BB(I)\n ENDIF\n ENDDO\n\nC\nC *** END OF EQNSLV ***\nC\n RETURN\n END\n\n SUBROUTINE DCALCNH3(SENS)\n\nc IMPLICIT NONE\n\n INCLUDE 'isrpia.inc'\n INCLUDE 'aero_sens_data.inc'\n \n DOUBLE PRECISION SENS(NSEN)\n DOUBLE PRECISION DPSI,GR,C,SR\n \nc INTEGER, SAVE :: LOGDEV\nc LOGICAL, SAVE :: FIRSTIME = .TRUE.\n\nc IF ( FIRSTIME ) THEN\nc FIRSTIME = .FALSE.\nc LOGDEV = INIT3 ()\nc ENDIF\n\n\nc IF (WATER.LE.TINY) RETURN\n IF ( WATER .LE. TINY .OR.\n & MOLAL(jNH4) .LE. TINY .OR.\n & MOLAL(jH) .LE. TINY .OR.\n & GNH3 .LE. TINY ) THEN\n RETURN\n ENDIF\n\n GR = -2.D0*LN10*(SGAMA(mHNO3)-SGAMA(mNH4NO3)) !GAMA RELATED\n C = ONE/MOLAL(jNH4) +ONE/MOLAL(jH) +ONE/GNH3\n SR = SENS(jNH4)/MOLAL(jNH4) -SENS(jH)/MOLAL(jH) !SENS RELATED\n DPSI = (SR +GR)/C\n\n SENS(jNH3) = DPSI\n SENS(jNH4) = SENS(jNH4) -DPSI\n SENS(jH ) = SENS(JH ) -DPSI\n\n RETURN\n END\n\n SUBROUTINE DCALCNA(SENS)\n\nc IMPLICIT NONE\n\n INCLUDE 'isrpia.inc'\n INCLUDE 'aero_sens_data.inc'\n\n DOUBLE PRECISION SENS(NSEN)\n DOUBLE PRECISION DELT,GR,SR,WR,C\n \nc IF (WTAER.LE.TINY) RETURN\n IF ( WATER .LE. TINY .OR. \n & MOLAL(jH) .LE. TINY .OR. \n & MOLAL(jNO3).LE. TINY ) RETURN\n \n WR = 2.D0*SENS(jH2O)/WATER\n GR = -2.D0*LN10*SGAMA(mHNO3)\n SR = -SENS(jH)/MOLAL(jH) +SINI(iMBNO3)/GHNO3\n C = ONE/MOLAL(jH) +ONE/MOLAL(jNO3) +ONE/GHNO3\n DELT = (SR +WR +GR)/C\n\n IF (GHNO3.EQ.ZERO) THEN\n SENS(jHNO3) = ZERO\n ELSE\n SENS(jHNO3) = SINI(iMBNO3) -DELT\n ENDIF\n\n SENS(jNO3) = DELT\n SENS(jH ) = SENS(jH) +DELT\n\n RETURN\n END\n\n SUBROUTINE DCALCNHA(SENS)\n\nc IMPLICIT NONE\n\n INCLUDE 'isrpia.inc'\n INCLUDE 'aero_sens_data.inc'\n\n DOUBLE PRECISION SENS(NSEN)\n DOUBLE PRECISION DNO,DCL,C11,C12,C21,C22,B1,B2,SR,WR,GR\n\nc INTEGER, SAVE :: LOGDEV\nc LOGICAL, SAVE :: FIRSTIME = .TRUE.\n\nc IF ( FIRSTIME ) THEN\nc FIRSTIME = .FALSE.\nc LOGDEV = INIT3 ()\nc ENDIF\n\n IF (WATER.LE.TINY) THEN\n SENS(jHNO3) = SINI(iMBNO3)\n SENS(jHCL ) = SINI(iMBCL )\n RETURN\n ELSEIF (W(jTCL).LE.TINY.AND.W(jTNO3).LE.TINY) THEN\n RETURN\n ELSEIF (W(jTCL).LE.TINY) THEN\n CALL DCALCNA(SENS)\n ELSEIF (W(jTNO3).LE.TINY) THEN\n CALL DCALCHA(SENS)\n ENDIF\n\n IF ( MOLAL(jH) .LE. TINY .OR.\n & MOLAL(jNO3) .LE. TINY .OR.\n & GHNO3 .LE. TINY .OR.\n & MOLAL(jCL) .LE. TINY .OR.\n & GHCL .LE. TINY ) THEN\n DCL = ZERO\n DNO = ZERO\n RETURN\n ENDIF\n\n C11 = ONE/MOLAL(jH) +ONE/MOLAL(jNO3) +ONE/GHNO3\n C12 = ONE/MOLAL(jH)\n C21 = C12\n C22 = ONE/MOLAL(jH) +ONE/MOLAL(jCL) +ONE/GHCL\n SR =-SENS(jH)/MOLAL(jH) +SINI(iMBNO3)/GHNO3\n WR = 2.D0*SENS(jH2O)/WATER\n GR =-2.D0*LN10*SGAMA(mHNO3)\n B1 = SR +WR +GR\n SR =-SENS(jH)/MOLAL(jH) +SINI(iMBCL)/GHCL\n GR =-2.D0*LN10*SGAMA(mHCL)\n B2 = SR +WR +GR\n\n DCL = (B1*C21 -B2*C11)/(C21*C12 -C22*C11)\n IF (MOLAL(jCL).EQ.W(jTCL)) DCL = SINI(iMBCL)\n DNO = (B1 -C12*DCL)/C11\n IF (MOLAL(jNO3).EQ.W(jTNO3)) DNO = SINI(iMBNO3)\n\nc IF (MOLAL(jCL).EQ.TINY.AND.MOLAL(jNO3).EQ.TINY) THEN\n IF (MOLAL(jCL).LE.TINY.AND.MOLAL(jNO3).LE.TINY) THEN\n DCL = ZERO\n DNO = ZERO\n ENDIF\n\n SENS(jH) = SENS(jH) +DCL +DNO\n SENS(jCL) = DCL\n SENS(jNO3) = DNO\n SENS(jHCL) = SINI(jCL) -DCL\n SENS(jHNO3) = SINI(jNO3) -DNO \n \n RETURN\n END \n \n SUBROUTINE DCALCHA(SENS)\n\nc IMPLICIT NONE\n \n INCLUDE 'isrpia.inc'\n INCLUDE 'aero_sens_data.inc'\n\n DOUBLE PRECISION SENS(NSEN)\n DOUBLE PRECISION DELT,GR,SR,WR,C\n \nc IF (WTAER.LE.TINY) RETURN\n IF (WATER .LE. TINY .OR. \n & MOLAL(jH) .LE. TINY .OR.\n & MOLAL(jCL) .LE. TINY ) RETURN\n \n WR = 2.D0*SENS(jH2O)/WATER\n GR = -2.D0*LN10*SGAMA(mHCL)\n SR = -SENS(jH)/MOLAL(jH) +SINI(iMBCL)/GHCL\n C = ONE/MOLAL(jH) +ONE/MOLAL(jCL) +ONE/GHCL\n DELT = (SR +WR +GR)/C\n\n IF (GHCL.EQ.ZERO) THEN\n SENS(jHCL) = 0.D0\n ELSE\n SENS(jHCL) = SINI(iMBCL) -DELT\n END IF\n\n SENS(jCL ) = DELT\n SENS(jH ) = SENS(jH) +DELT\n\n RETURN\n END\n\n\n SUBROUTINE DCALCHS4(SENS)\n\nc IMPLICIT NONE\n\n INCLUDE 'isrpia.inc'\n INCLUDE 'aero_sens_data.inc'\n\n DOUBLE PRECISION SENS(NSEN)\n DOUBLE PRECISION DELTA,GR,SR,WR,C\n \nc IF (WATER.LE.1D1*TINY) RETURN\nc IF (MOLAL(jHSO4).EQ.ZERO) RETURN\n\n IF ( WATER.LE.1D1*TINY .OR. \n & MOLAL(jHSO4) .LE. TINY .OR.\n & MOLAL(jH) .LE. TINY .OR.\n & MOLAL(jSO4) .LE. TINY ) RETURN\n\n WR = ONE*SENS(jH2O)/WATER\n GR = 2.D0*LN10*SGAMA(mHHSO4)-3.D0*LN10*SGAMA(mH2SO4)\n SR = -SENS(jH)/MOLAL(jH) -SENS(jSO4)/MOLAL(jSO4)\n C = -ONE/MOLAL(jH) -ONE/MOLAL(jSO4) -ONE/MOLAL(jHSO4)\n DELTA = (WR +GR +SR)/C\n\n SENS(jH) = SENS(jH) -DELTA\n SENS(jSO4) = SENS(jSO4) -DELTA\n SENS(jHSO4) = DELTA\n\n RETURN\n END \n\n subroutine dgefa(a,lda,n,ipvt,info)\n\n implicit none\n\n integer lda,n,ipvt(n),info\n double precision a(lda,n)\n\nc\nc dgefa factors a double precision matrix by gaussian elimination.\nc\nc dgefa is usually called by dgeco, but it can be called\nc directly with a saving in time if rcond is not needed.\nc (time for dgeco) = (1 + 9/n)*(time for dgefa) .\nc\nc on entry\nc\nc a double precision(lda, n)\nc the matrix to be factored.\nc\nc lda integer\nc the leading dimension of the array a .\nc\nc n integer\nc the order of the matrix a .\nc\nc on return\nc\nc a an upper triangular matrix and the multipliers\nc which were used to obtain it.\nc the factorization can be written a = l*u where\nc l is a product of permutation and unit lower\nc triangular matrices and u is upper triangular.\nc\nc ipvt integer(n)\nc an integer vector of pivot indices.\nc\nc info integer\nc = 0 normal value.\nc = k if u(k,k) .eq. 0.0 . this is not an error\nc condition for this subroutine, but it does\nc indicate that dgesl or dgedi will divide by zero\nc if called. use rcond in dgeco for a reliable\nc indication of singularity.\nc\nc linpack. this version dated 08/14/78 .\nc cleve moler, university of new mexico, argonne national lab.\nc\nc subroutines and functions\nc\nc blas daxpy,dscal,idamax\nc\nc internal variables\nc\n double precision t\n integer idamax,j,k,kp1,l,nm1\nc\nc\nc gaussian elimination with partial pivoting\nc\n info = 0\n nm1 = n - 1\n if (nm1 .lt. 1) go to 70\n do 60 k = 1, nm1\n kp1 = k + 1\nc\nc find l = pivot index\nc\n l = idamax(n-k+1,a(k,k),1) + k - 1\n ipvt(k) = l\nc\nc zero pivot implies this column already triangularized\nc\n if (a(l,k) .eq. 0.0d0) go to 40\nc\nc interchange if necessary\nc\n if (l .eq. k) go to 10\n t = a(l,k)\n a(l,k) = a(k,k)\n a(k,k) = t\n 10 continue\nc\nc compute multipliers\nc\n t = -1.0d0/a(k,k)\n call dscal(n-k,t,a(k+1,k),1)\nc\nc row elimination with column indexing\nc\n do 30 j = kp1, n\n t = a(l,j)\n if (l .eq. k) go to 20\n a(l,j) = a(k,j)\n a(k,j) = t\n 20 continue\n call daxpy(n-k,t,a(k+1,k),1,a(k+1,j),1)\n 30 continue\n go to 50\n 40 continue\n info = k\n 50 continue\n 60 continue\n 70 continue\n ipvt(n) = n\n if (a(n,n) .eq. 0.0d0) info = n\n return\n end\n\nc .................................................................\n\n subroutine dgesl(a,lda,n,ipvt,b,job)\n \n implicit none\n\n integer lda,n,ipvt(n),job\n double precision a(lda,n),b(n)\nc\nc dgesl solves the double precision system\nc a * x = b or trans(a) * x = b\nc using the factors computed by dgeco or dgefa.\nc\nc on entry\nc\nc a double precision(lda, n)\nc the output from dgeco or dgefa.\nc\nc lda integer\nc the leading dimension of the array a .\nc\nc n integer\nc the order of the matrix a .\nc\nc ipvt integer(n)\nc the pivot vector from dgeco or dgefa.\nc\nc b double precision(n)\nc the right hand side vector.\nc\nc job integer\nc = 0 to solve a*x = b ,\nc = nonzero to solve trans(a)*x = b where\nc trans(a) is the transpose.\nc\nc on return\nc\nc b the solution vector x .\nc\nc error condition\nc\nc a division by zero will occur if the input factor contains a\nc zero on the diagonal. technically this indicates singularity\nc but it is often caused by improper arguments or improper\nc setting of lda . it will not occur if the subroutines are\nc called correctly and if dgeco has set rcond .gt. 0.0\nc or dgefa has set info .eq. 0 .\nc\nc to compute inverse(a) * c where c is a matrix\nc with p columns\nc call dgeco(a,lda,n,ipvt,rcond,z)\nc if (rcond is too small) go to ...\nc do 10 j = 1, p\nc call dgesl(a,lda,n,ipvt,c(1,j),0)\nc 10 continue\nc\nc linpack. this version dated 08/14/78 .\nc cleve moler, university of new mexico, argonne national lab.\nc\nc subroutines and functions\nc\nc blas daxpy,ddot\nc\nc internal variables\nc\n double precision ddot,t\n integer k,kb,l,nm1\nc\n nm1 = n - 1\n if (job .ne. 0) go to 50\nc\nc job = 0 , solve a * x = b\nc first solve l*y = b\nc\n if (nm1 .lt. 1) go to 30\n do 20 k = 1, nm1\n l = ipvt(k)\n t = b(l)\n if (l .eq. k) go to 10\n b(l) = b(k)\n b(k) = t\n 10 continue\n call daxpy(n-k,t,a(k+1,k),1,b(k+1),1)\n 20 continue\n 30 continue\nc\nc now solve u*x = y\nc\n do 40 kb = 1, n\n k = n + 1 - kb\n b(k) = b(k)/a(k,k)\n t = -b(k)\n call daxpy(k-1,t,a(1,k),1,b(1),1)\n 40 continue\n go to 100\n 50 continue\nc\nc job = nonzero, solve trans(a) * x = b\nc first solve trans(u)*y = b\nc\n do 60 k = 1, n\n t = ddot(k-1,a(1,k),1,b(1),1)\n b(k) = (b(k) - t)/a(k,k)\n 60 continue\nc\nc now solve trans(l)*x = y\nc\n if (nm1 .lt. 1) go to 90\n do 80 kb = 1, nm1\n k = n - kb\n b(k) = b(k) + ddot(n-k,a(k+1,k),1,b(k+1),1)\n l = ipvt(k)\n if (l .eq. k) go to 70\n t = b(l)\n b(l) = b(k)\n b(k) = t\n 70 continue\n 80 continue\n 90 continue\n 100 continue\n return\n end\n\nc .................................................................\n\n subroutine daxpy(n,da,dx,incx,dy,incy)\nc\nc constant times a vector plus a vector.\nc uses unrolled loops for increments equal to one.\nc jack dongarra, linpack, 3/11/78.\nc modified 12/3/93, array(1) declarations changed to array(*)\nc\n implicit none\n\n double precision dx(*),dy(*),da\n integer i,incx,incy,ix,iy,m,mp1,n\nc\n if(n.le.0)return\n if (da .eq. 0.0d0) return\n if(incx.eq.1.and.incy.eq.1)go to 20\nc\nc code for unequal increments or equal increments\nc not equal to 1\nc\n ix = 1\n iy = 1\n if(incx.lt.0)ix = (-n+1)*incx + 1\n if(incy.lt.0)iy = (-n+1)*incy + 1\n do 10 i = 1,n\n dy(iy) = dy(iy) + da*dx(ix)\n ix = ix + incx\n iy = iy + incy\n 10 continue\n return\nc\nc code for both increments equal to 1\nc\nc\nc clean-up loop\nc\n 20 m = mod(n,4)\n if( m .eq. 0 ) go to 40\n do 30 i = 1,m\n dy(i) = dy(i) + da*dx(i)\n 30 continue\n if( n .lt. 4 ) return\n 40 mp1 = m + 1\n do 50 i = mp1,n,4\n dy(i) = dy(i) + da*dx(i)\n dy(i + 1) = dy(i + 1) + da*dx(i + 1)\n dy(i + 2) = dy(i + 2) + da*dx(i + 2)\n dy(i + 3) = dy(i + 3) + da*dx(i + 3)\n 50 continue\n return\n end\n\nc .................................................................\n\n double precision function ddot(n,dx,incx,dy,incy)\nc\nc forms the dot product of two vectors.\nc uses unrolled loops for increments equal to one.\nc jack dongarra, linpack, 3/11/78.\nc modified 12/3/93, array(1) declarations changed to array(*)\nc\n double precision dx(*),dy(*),dtemp\n integer i,incx,incy,ix,iy,m,mp1,n\nc\n ddot = 0.0d0\n dtemp = 0.0d0\n if(n.le.0)return\n if(incx.eq.1.and.incy.eq.1)go to 20\nc\nc code for unequal increments or equal increments\nc not equal to 1\nc\n ix = 1\n iy = 1\n if(incx.lt.0)ix = (-n+1)*incx + 1\n if(incy.lt.0)iy = (-n+1)*incy + 1\n do 10 i = 1,n\n dtemp = dtemp + dx(ix)*dy(iy)\n ix = ix + incx\n iy = iy + incy\n 10 continue\n ddot = dtemp\n return\nc\nc code for both increments equal to 1\nc\nc\nc clean-up loop\nc\n 20 m = mod(n,5)\n if( m .eq. 0 ) go to 40\n do 30 i = 1,m\n dtemp = dtemp + dx(i)*dy(i)\n 30 continue\n if( n .lt. 5 ) go to 60\n 40 mp1 = m + 1\n do 50 i = mp1,n,5\n dtemp = dtemp + dx(i)*dy(i) + dx(i + 1)*dy(i + 1) +\n * dx(i + 2)*dy(i + 2) + dx(i + 3)*dy(i + 3) + dx(i + 4)*dy(i + 4)\n 50 continue\n 60 ddot = dtemp\n return\n end\n\nc .................................................................\n\n subroutine dscal(n,da,dx,incx)\nc\nc scales a vector by a constant.\nc uses unrolled loops for increment equal to one.\nc jack dongarra, linpack, 3/11/78.\nc modified 3/93 to return if incx .le. 0.\nc modified 12/3/93, array(1) declarations changed to array(*)\nc\n implicit none\n\n double precision da,dx(*)\n integer i,incx,m,mp1,n,nincx\nc\n if( n.le.0 .or. incx.le.0 )return\n if(incx.eq.1)go to 20\nc\nc code for increment not equal to 1\nc\n nincx = n*incx\n do 10 i = 1,nincx,incx\n dx(i) = da*dx(i)\n 10 continue\n return\nc\nc code for increment equal to 1\nc\nc\nc clean-up loop\nc\n 20 m = mod(n,5)\n if( m .eq. 0 ) go to 40\n do 30 i = 1,m\n dx(i) = da*dx(i)\n 30 continue\n if( n .lt. 5 ) return\n 40 mp1 = m + 1\n do 50 i = mp1,n,5\n dx(i) = da*dx(i)\n dx(i + 1) = da*dx(i + 1)\n dx(i + 2) = da*dx(i + 2)\n dx(i + 3) = da*dx(i + 3)\n dx(i + 4) = da*dx(i + 4)\n 50 continue\n return\n end\n\nc .................................................................\n\n integer function idamax(n,dx,incx)\nc\nc finds the index of element having max. absolute value.\nc jack dongarra, linpack, 3/11/78.\nc modified 3/93 to return if incx .le. 0.\nc modified 12/3/93, array(1) declarations changed to array(*)\nc\n double precision dx(*),dmax\n integer i,incx,ix,n\nc\n idamax = 0\n if( n.lt.1 .or. incx.le.0 ) return\n idamax = 1\n if(n.eq.1)return\n if(incx.eq.1)go to 20\nc\nc code for increment not equal to 1\nc\n ix = 1\n dmax = dabs(dx(1))\n ix = ix + incx\n do 10 i = 2,n\n if(dabs(dx(ix)).le.dmax) go to 5\n idamax = i\n dmax = dabs(dx(ix))\n 5 ix = ix + incx\n 10 continue\n return\nc\nc code for increment equal to 1\nc\n 20 dmax = dabs(dx(1))\n do 30 i = 2,n\n if(dabs(dx(i)).le.dmax) go to 30\n idamax = i\n dmax = dabs(dx(i))\n 30 continue\n return\n end\n#endif\n" }, { "path": "CCTM/src/ddm3d/aero_sens_calc2.F", "content": "#ifdef sens\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC ===================================================================\nC This subroutine calculates second-order sensitivity of ISORROPIAII\nC\nC Written by Wenxian Zhang in August 2011\nC\nC 27 September 2013: Sergey L. Napelenok \nC --- implemented into CMAQv5.0.2\nC --- disabled hddm activity and water sensitivity calculations\nC --- to finish code development for these\nC 08 September 2014: Sergey L. Napelenok\nC --- some minor bug fixes\nC \nC Reference: \nC Zhang, W., Capps, S. L., Hu, Y., Nenes, A., Napelenok, S. L., & \nC Russell, A. G. (2012). Development of the high-order decoupled \nC direct method in three dimensions for particulate matter: \nC enabling advanced sensitivity analysis in air quality models. \nC Geoscientific Model Development, 5(2), 355-368. \nC doi: 10.5194/gmd-5-355-2012\nC ===================================================================\n\n SUBROUTINE AERO_SENS_CALC2(STOT,SENS,S1,S2,S1D,S2D,SCASI,FCOL)\n\nc USE DDM3D_DEFN, ONLY : WRFLAG\n\nc IMPLICIT NONE\n\n INCLUDE 'isrpia.inc'\n INCLUDE 'aero_sens_data.inc'\n\n INTEGER, INTENT (INOUT) :: FCOL( : )\n DOUBLE PRECISION, INTENT( IN ) :: STOT( : )\n DOUBLE PRECISION, INTENT( OUT ) :: SENS( : ) !OUTPUT, HDDM\n DOUBLE PRECISION, INTENT( IN ) :: S1( : ) !INPUT, 1ST ORDER SENS\n DOUBLE PRECISION, INTENT( IN ) :: S2( : ) !INPUT, 2ND ORDER SENS\n DOUBLE PRECISION, INTENT( IN ) :: S1D( : ) !INPUT, 1ST ORDER SENS\n DOUBLE PRECISION, INTENT( IN ) :: S2D( : ) !INPUT, 2ND ORDER SENS\n CHARACTER( 15 ), INTENT( IN ) :: SCASI ! (input) subcase number from ISOROPIA\n\n INTEGER FROW(NSEN)\n DOUBLE PRECISION :: COEF(NSEN,NSEN) !COEFFICIENT MATRIX \n DOUBLE PRECISION SENSD(NSEN)\n DOUBLE PRECISION DGAMA(NIONSPC,NPAIR) !dGAMA/dA\n DOUBLE PRECISION RGAMA(NPAIR) ! RHS FROM 2ND-ORDER GAMA SENSITIVITIES\n\nc INTEGER, SAVE :: LOGDEV\nc LOGICAL, SAVE :: FIRSTIME = .TRUE.\n\n\nc IF ( FIRSTIME ) THEN\nc FIRSTIME = .FALSE.\nc LOGDEV = INIT3 ()\nc ENDIF\n\n INTEGER I\n\n CC = SCASI(1:1)\n\nC *** INITIALIZE SINI ***\n\n DO I = 1,NSEN\n SINI(I) = 0.D0\n ENDDO\n\n SINI(iMBNA) = STOT(1)\n SINI(iMBSO4) = STOT(2)\n SINI(iMBNH4) = STOT(3)\n SINI(iMBNO3) = STOT(4)\n SINI(iMBCL) = STOT(5)\n SINI(iMBCA) = STOT(6)\n SINI(iMBK) = STOT(7)\n SINI(iMBMG) = STOT(8)\n\nc *** SET ROW AND COL FLAGS ***\n\n CALL FLAGS( FROW, FCOL ) \n\nC *** CALCULATE DGAMA ***\n\nc IF (CC.EQ.'A'.OR.CC.EQ.'B'.OR.CC.EQ.'C'.OR.\nc & CC.EQ.'D'.OR.CC.EQ.'E'.OR.CC.EQ.'F'.OR.\nc & CC.EQ.'G'.OR.CC.EQ.'H'.OR.CC.EQ.'I'.OR.\nc & CC.EQ.'J') THEN\nc CALL DELGAMA1( DGAMA )\nc CALL RHSGAMA1( RGAMA, S1D, S2D )\nc ELSE\nc CALL DELGAMA2( DGAMA,frow )\nc CALL RHSGAMA2( RGAMA, S1D, S2D )\nc ENDIF\n\n DGAMA = 0.0D0 ! set to ignore activity\n RGAMA = 0.0D0 ! set to ignore activity\n\nC *** CALCULATE COEFFICIENT MATRIX ***\n\n CALL AMAT( COEF, FROW, FCOL, DGAMA )\n\nC *** CREATE THE RIGHT HAND SIDE ***\n\n CALL RHS( S1D, S2D, RGAMA, FROW )\n\nC *** SOLVE SENSITIVITIES ***\n\n CALL EQNSLV( FROW, FCOL, COEF, SENS, SENSD )\n\nC *** ADJUST FOR MINOR SPECIES ***\n\nc DO I = 1,NPAIR\nc SGAMA(I) = 0.D0\nc DO J = 1,NIONSPC\nc SGAMA(I) = SGAMA(I)+DGAMA(J,I)*SENS(J)\nc ENDDO\nc SGAMA(I) = SGAMA(I) + RGAMA(I)\nc ENDDO\n\n SGAMA = 0.0D0 ! set to ignore activity\n\nc IF (CC.EQ.'B'.OR.CC.EQ.'C') THEN\nc CALL HDCALCNH3(SENS, S1, S2)\nc ELSEIF (CC.EQ.'E'.OR.CC.EQ.'F') THEN\nc CALL HDCALCNA( SENS, S1, S2)\nc ELSEIF (CC.EQ.'I'.OR.CC.EQ.'J'.OR.\nc & CC.EQ.'L'.OR.CC.EQ.'K') THEN\nc CALL HDCALCNHA(SENS, S1, S2)\nc CALL HDCALCNH3(SENS, S1, S2)\nc ELSEIF (CC.EQ.'D'.OR.CC.EQ.'G'.OR.CC.EQ.'H'.OR.\nc & CC.EQ.'O'.OR.CC.EQ.'M'.OR.CC.EQ.'P') THEN\nc CALL HDCALCHS4(SENS, S1, S2)\nc ENDIF\n\nC *** END OF HDDMSENS ***\n\n RETURN\n END SUBROUTINE AERO_SENS_CALC2\n \n SUBROUTINE RHSGAMA1( RG, S1, S2 )\n\nc IMPLICIT NONE\n \n INCLUDE 'isrpia.inc'\n INCLUDE 'aero_sens_data.inc'\n INCLUDE 'dact.inc'\n \n DOUBLE PRECISION RG(NPAIR)\n DOUBLE PRECISION S1(NSEN),S2(NSEN)\n DOUBLE PRECISION RI, RHG\n DOUBLE PRECISION RG0(NPAIR)\n DOUBLE PRECISION RX(3,4), RY(3,4)\n DOUBLE PRECISION RF1(3), RF2(4)\n DOUBLE PRECISION ISR, IM5, IM1, IM15\n DOUBLE PRECISION SUMZS1, SUMZS2, DN, DN2, DN3\n INTEGER I, J\n DOUBLE PRECISION ZPL, XPL, ZMI, XMI, CH, RXIJ, RYJI\n\n SUMZS1 = 0.D0\n SUMZS2 = 0.D0\nc DO I = 1, NIONSPC\n DO I = 1, NIONS\n SUMZS1 = SUMZS1 +Z(I)*Z(I)*S1(I)\n SUMZS2 = SUMZS2 +Z(I)*Z(I)*S2(I)\n ENDDO\n \n IF (IONIC.GE.100.d0) THEN\n RI = 0.D0\n ELSE\n RI = 2.D0 *IONIC*S1(jH2O)*S2(jH2O)\n & +0.5D0*SUMZS1*S2(jH2O)\n & +0.5D0*SUMZS2*S1(jH2O)\n RI = RI/WATER/WATER\n ENDIF\n\n ISR = SQRT(IONIC)\n IM5 = IONIC**(-0.5D0)\n IM1 = IONIC**(-1.D0)\n IM15 = IONIC**(-1.5D0)\n DN = 1.D0+ISR\n DN2 = DN**2.D0\n DN3 = DN**3.D0\n RHG = IM5*RI/DN2 -(0.5D0*IM15+1.5D0*IM1)*SI1*SI2/DN3\n \n CALL RDKMFUL(RG0,NPAIR,IONIC,SNGL(TEMP),RI,RHG,SI1,SI2)\n\n DO I = 1, 3\n ZPL = Z(I)\n XPL = MOLALD(I)/WATER\n DO J = 1, 4\n ZMI = Z(J+3)\n XMI = MOLALD(J+3)/WATER\n CH = 0.25*(ZPL+ZMI)*(ZPL+ZMI)/IONIC\n RXIJ = -XPL*RI/IONIC\n & - (S2(jH2O)*S1(I) +S1(jH2O)*S2(I))/WATER/WATER\n & - (SI2*S1(I) +SI1*S2(I))/WATER/IONIC\n & + XPL*(S2(jH2O)*SI1 +S1(jH2O)*SI2)/WATER/IONIC\n & + 2.D0*XPL*S1(jH2O)*S2(jH2O)/WATER/WATER\n & + 2.D0*XPL*SI1*SI2/IONIC/IONIC\n\n RYJI = -XMI*RI/IONIC\n & - (S2(jH2O)*S1(J+3) +S1(jH2O)*S2(J+3))/WATER/WATER\n & - (SI2*S1(J+3) +SI1*S2(J+3))/WATER/IONIC\n & + XMI*(S2(jH2O)*SI1 +S1(jH2O)*SI2)/WATER/IONIC\n & + 2.D0*XMI*S1(jH2O)*S2(jH2O)/WATER/WATER\n & + 2.D0*XMI*SI1*SI2/IONIC/IONIC\n \n RX(I,J) = CH*RXIJ\n RY(I,J) = CH*RYJI\n\n RF1(I) = SY2(I,J)*(SG01(IJMAP(I,J)) +ZPL*ZMI*SH1)\n & + SY1(I,J)*(SG02(IJMAP(I,J)) +ZPL*ZMI*SH2)\n & + Y(I,J) * RG0(IJMAP(I,J))\n & + Y(I,J) * RHG *ZPL *ZMI\n & + RY(I,J) *(G0P(IJMAP(I,J)) +ZPL*ZMI*H)\n\n RF2(J) = SX2(I,J)*(SG01(IJMAP(I,J)) +ZPL*ZMI*SH1)\n & + SX1(I,J)*(SG02(IJMAP(I,J)) +ZPL*ZMI*SH2)\n & + X(I,J) * RG0(IJMAP(I,J))\n & + X(I,J) * RHG *ZPL *ZMI\n & + RX(I,J) *(G0P(IJMAP(I,J)) +ZPL*ZMI*H)\n \n RG(IJMAP(I,J)) = ZPL*ZMI*(\n & (RF1(I)/ZPL + RF2(J)/ZMI)/(ZPL + ZMI) -RHG)\n ENDDO\n ENDDO\n \n RG(mLC) = 0.2 *(3.0 *RG(mNH42S4) + 2.0 *RG(mNH4HS4))\n \n DO I = 1, NPAIR\n IF (GAMA(I).LE.1.d-5 .OR. GAMA(I).GE.1.d5) THEN\n RG(I) = 0.0\n ENDIF\n ENDDO\n \n RETURN\n END \n \n SUBROUTINE RHSGAMA2( RG, S1, S2 )\n\nc IMPLICIT NONE\n\n INCLUDE 'isrpia.inc'\n INCLUDE 'aero_sens_data.inc'\n INCLUDE 'dact.inc'\n \n DOUBLE PRECISION RG(NPAIR)\n DOUBLE PRECISION S1(NSEN),S2(NSEN)\n DOUBLE PRECISION RI, RHG\n DOUBLE PRECISION RG0(NPAIR)\n DOUBLE PRECISION RX(6,4), RY(6,4)\n DOUBLE PRECISION RF1(6), RF2A(4), RF2B(4)\n DOUBLE PRECISION ISR, IM5, IM1, IM15\n INTEGER I, J\n DOUBLE PRECISION ZPL, XPL, SUMZS1, SUMZS2, DN, DN2, DN3, ZMI, XMI\n DOUBLE PRECISION CH, RXIJ, RYJI\n\n SUMZS1 = 0.D0\n SUMZS2 = 0.D0\nc DO I = 1, NIONSPC\n DO I = 1, NIONS\n SUMZS1 = SUMZS1 +Z(I)*Z(I)*S1(I)\n SUMZS2 = SUMZS2 +Z(I)*Z(I)*S2(I)\n ENDDO\n \n IF (IONIC.GE.100.d0) THEN\n RI = 0.D0\n ELSE\n RI = 2.D0 *IONIC*S1(jH2O)*S2(jH2O)\n & +0.5D0*SUMZS1*S2(jH2O)\n & +0.5D0*SUMZS2*S1(jH2O)\n RI = RI/WATER/WATER\n ENDIF\n\n ISR = SQRT(IONIC)\n IM5 = IONIC**(-0.5D0)\n IM1 = IONIC**(-1.D0)\n IM15 = IONIC**(-1.5D0)\n DN = 1.D0+ISR\n DN2 = DN**2.D0\n DN3 = DN**3.D0\n RHG = IM5*RI/DN2 -(0.5D0*IM15+1.5D0*IM1)*SI1*SI2/DN3\n \n CALL RDKMFUL2(RG0,NPAIR,IONIC,SNGL(TEMP),RI,RHG,SI1,SI2)\n\n DO I = 1, 3\n ZPL = Z(I)\n XPL = MOLALD(I)/WATER\n DO J = 1, 4\n ZMI = Z(J+3)\n XMI = MOLALD(J+3)/WATER\n CH = 0.25*(ZPL+ZMI)*(ZPL+ZMI)/IONIC\n RXIJ = -XPL*RI/IONIC\n & - (S2(jH2O)*S1(I) +S1(jH2O)*S2(I))/WATER/WATER\n & - (SI2*S1(I) +SI1*S2(I))/WATER/IONIC\n & + XPL*(S2(jH2O)*SI1 +S1(jH2O)*SI2)/WATER/IONIC\n & + 2.D0*XPL*S1(jH2O)*S2(jH2O)/WATER/WATER\n & + 2.D0*XPL*SI1*SI2/IONIC/IONIC\n\n RYJI = -XMI*RI/IONIC\n & - (S2(jH2O)*S1(J+3) +S1(jH2O)*S2(J+3))/WATER/WATER\n & - (SI2*S1(J+3) +SI1*S2(J+3))/WATER/IONIC\n & + XMI*(S2(jH2O)*SI1 +S1(jH2O)*SI2)/WATER/IONIC\n & + 2.D0*XMI*S1(jH2O)*S2(jH2O)/WATER/WATER\n & + 2.D0*XMI*SI1*SI2/IONIC/IONIC\n \n RX(I,J) = CH*RXIJ\n RY(I,J) = CH*RYJI\n\n RF1(I) = SY2(I,J)*(SG01(IJMAP(I,J)) +ZPL*ZMI*SH1)\n & + SY1(I,J)*(SG02(IJMAP(I,J)) +ZPL*ZMI*SH2)\n & + Y(I,J) * RG0(IJMAP(I,J))\n & + Y(I,J) * RHG *ZPL *ZMI\n & + RY(I,J) *(G0P(IJMAP(I,J)) +ZPL*ZMI*H)\n\n RF2A(J) = SX2(I,J)*(SG01(IJMAP(I,J)) +ZPL*ZMI*SH1)\n & + SX1(I,J)*(SG02(IJMAP(I,J)) +ZPL*ZMI*SH2)\n & + X(I,J) * RG0(IJMAP(I,J))\n & + X(I,J) * RHG *ZPL *ZMI\n & + RX(I,J) *(G0P(IJMAP(I,J)) +ZPL*ZMI*H)\n \n RG(IJMAP(I,J)) = ZPL*ZMI*(\n & (RF1(I)/ZPL + RF2A(J)/ZMI)/(ZPL + ZMI) -RHG)\n ENDDO\n ENDDO\n \n DO 100 I = 4, 6\n ZPL = Z(I+4)\n XPL = MOLALD(I+4)/WATER\n DO 100 J = 1, 4\n \n IF(J.EQ.3.AND.I.EQ.4) GOTO 100\n IF(J.EQ.3.AND.I.EQ.6) GOTO 100\n IF(J.EQ.2.AND.I.EQ.4) GOTO 100\n\n ZMI = Z(J+3)\n XMI = MOLALD(J+3)/WATER\n CH = 0.25*(ZPL+ZMI)*(ZPL+ZMI)/IONIC\n RXIJ = -XPL*RI/IONIC\n & - (S2(jH2O)*S1(I+4) +S1(jH2O)*S2(I+4))/WATER/WATER\n & - (SI2*S1(I+4) +SI1*S2(I+4))/WATER/IONIC\n & + XPL*(S2(jH2O)*SI1 +S1(jH2O)*SI2)/WATER/IONIC\n & + 2.D0*XPL*S1(jH2O)*S2(jH2O)/WATER/WATER\n & + 2.D0*XPL*SI1*SI2/IONIC/IONIC\n\n RYJI = -XMI*RI/IONIC\n & - (S2(jH2O)*S1(J+3) +S1(jH2O)*S2(J+3))/WATER/WATER\n & - (SI2*S1(J+3) +SI1*S2(J+3))/WATER/IONIC\n & + XMI*(S2(jH2O)*SI1 +S1(jH2O)*SI2)/WATER/IONIC\n & + 2.D0*XMI*S1(jH2O)*S2(jH2O)/WATER/WATER\n & + 2.D0*XMI*SI1*SI2/IONIC/IONIC\n \n RX(I,J) = CH*RXIJ\n RY(I,J) = CH*RYJI\n\n RF1(I) = SY2(I,J)*(SG01(IJMAP(I,J)) +ZPL*ZMI*SH1)\n & + SY1(I,J)*(SG02(IJMAP(I,J)) +ZPL*ZMI*SH2)\n & + Y(I,J) * RG0(IJMAP(I,J))\n & + Y(I,J) * RHG *ZPL *ZMI\n & + RY(I,J) *(G0P(IJMAP(I,J)) +ZPL*ZMI*H)\n\n RF2B(J) = SX2(I,J)*(SG01(IJMAP(I,J)) +ZPL*ZMI*SH1)\n & + SX1(I,J)*(SG02(IJMAP(I,J)) +ZPL*ZMI*SH2)\n & + X(I,J) * RG0(IJMAP(I,J))\n & + X(I,J) * RHG *ZPL *ZMI\n & + RX(I,J) *(G0P(IJMAP(I,J)) +ZPL*ZMI*H)\n \n RG(IJMAP(I,J)) = ZPL*ZMI*(\n & (RF1(I)/ZPL + RF2B(J)/ZMI)/(ZPL + ZMI) -RHG)\n 100 CONTINUE\n \n RG(mCASO4) = 0.0\n RG(mLC) = 0.2 *(3.0 *RG(mNH42S4) + 2.0 *RG(mNH4HS4))\n \n DO I = 1, NPAIR\n IF (GAMA(I).LE.1.d-5 .OR. GAMA(I).GE.1.d5) THEN\n RG(I) = 0.0\n ENDIF\n ENDDO\n \n RETURN\n END\n \n SUBROUTINE RDKMFUL(RG0,NPAIRS,IONIC,TEMP,RI,RHG,SI1,SI2)\n\n IMPLICIT NONE\n\n INTEGER N,NPAIRS\n REAL IONIC,TEMP\n DOUBLE PRECISION RI, RHG, RG0(NPAIRS)\n DOUBLE PRECISION SI1, SI2\n \n INTEGER NPAIRD, I, J, K\n PARAMETER (NPAIRD=10) ! Number of ion pairs whose Q value is available\n INTEGER IG(NPAIRD)\n DATA IG / 1,2,3,4,5,6,7,8,10,11 /\n REAL ZI(NPAIRD) ! Mapping of Q to the internal order of ion pairs\n DATA ZI / 1., 2., 1., 2., 1., 1., 2., 1., 1., 1. /\n REAL Q(NPAIRD) ! Kusik-Meissner parameters (see KMFUL)\n DATA Q / 2.23,-0.19,-0.39,-0.25,-1.15,0.82,-0.1,\n & 8.0,2.6,6.0 /\n\n REAL SION ! sln 13sep13\n REAL AGAMA ! sln 23sep13\n\n REAL*8 TI, CF1, CF2, RCF2\n\n SION = SQRT(IONIC) ! sln 13sep13\n AGAMA = 0.511*(298.0/TEMP)**1.5 ! Debye Huckel const. at T ! sln 23sep13\n\n\n\n DO I = 1, NPAIRD\n CALL RDMKBI(RG0(IG(I)), IONIC, Q(I), ZI(I), RI, RHG,\n & SI1, SI2)\n ENDDO\n \n TI = TEMP-273.0\n IF (ABS(TI-25.0) .GT. 1.0) THEN\n CF1 = 1.125-0.005*TI\n CF2 = (CF1-1.)*(0.039*IONIC**0.92-0.41*SION/(1.+SION))\n RCF2 = (CF1-1.)*(-.00287*IONIC**(-1.08)*SI1*SI2\n & +.03588*RI\n & -.41*RHG/AGAMA)\n\n DO I = 1, NPAIRD\n RG0(IG(I)) = CF1*RG0(IG(I)) - RCF2*ZI(I)\n ENDDO\n ENDIF\n \n RG0( 9) = RG0( 6) + RG0( 8) - RG0(11)\n RG0(12) = RG0( 1) + RG0( 8) - RG0(11)\n \n RETURN\n END\n \n SUBROUTINE RDKMFUL2(RG0,NPAIRS,IONIC,TEMP,RI,RHG,SI1,SI2)\n\n IMPLICIT NONE\n\n INTEGER N,NPAIRS\n REAL IONIC,TEMP\n DOUBLE PRECISION RI, RHG, RG0(NPAIRS)\n DOUBLE PRECISION SI1, SI2\n \n INTEGER NPAIRD, I, J, K\n PARAMETER (NPAIRD=10) ! Number of ion pairs whose Q value is available\n INTEGER IG(NPAIRD)\n DATA IG / 1,2,3,4,5,6,7,8,10,11 /\n REAL ZI(NPAIRD) ! Mapping of Q to the internal order of ion pairs\n DATA ZI / 1., 2., 1., 2., 1., 1., 2., 1., 1., 1. /\n REAL Q(NPAIRD) ! Kusik-Meissner parameters (see KMFUL)\n DATA Q / 2.23,-0.19,-0.39,-0.25,-1.15,0.82,-0.1,\n & 8.0,2.6,6.0 /\n\n REAL SION ! sln 13sep13\n REAL AGAMA ! sln 23sep13\n\n REAL*8 TI, CF1, CF2, RCF2\n\n SION = SQRT(IONIC) ! sln 13sep13\n AGAMA = 0.511*(298.0/TEMP)**1.5 ! Debye Huckel const. at T ! sln 23sep13\n\n DO I = 1, NPAIRD\n CALL RDMKBI(RG0(IG(I)), IONIC, Q(I), ZI(I), RI, RHG,\n & SI1, SI2)\n ENDDO\n \n TI = TEMP-273.0\n IF (ABS(TI-25.0) .GT. 1.0) THEN\n CF1 = 1.125-0.005*TI\n CF2 = (CF1-1.)*(0.039*IONIC**0.92-0.41*SION/(1.+SION))\n RCF2 = (CF1-1.)*(-.00287*IONIC**(-1.08)*SI1*SI2\n & +.03588*RI\n & -.41*RHG/AGAMA)\n\n DO I = 1, NPAIRD\n RG0(IG(I)) = CF1*RG0(IG(I)) - RCF2*ZI(I)\n ENDDO\n ENDIF\n \n RG0( 9) = RG0( 6) + RG0( 8) - RG0(11)\n RG0(12) = RG0( 1) + RG0( 8) - RG0(11)\n \n RETURN\n END\n \n SUBROUTINE RDMKBI(RG0, IONIC, Q, ZIP, RI, RHG, SI1, SI2)\n\n IMPLICIT NONE\n\n REAL IONIC, Q, ZIP\n DOUBLE PRECISION RI, RHG, RI1, RI2, RG0\n DOUBLE PRECISION SI1, SI2 ! sln 4sep14 \n \n REAL B, BI, XX1, XX2\n DOUBLE PRECISION RB\n \n DOUBLE PRECISION LN10\n PARAMETER (LN10=2.30258509299404568402D0)\n\n \n B = .75 -.065*Q\n BI = 1. +B*(1.+.1*IONIC)**Q -B\n\n XX1 = .1*B*Q*(1.+.1*IONIC)**(Q-1.)/(BI*LN10)\n XX2 = .1*(Q-1.)/(1.+.1*IONIC)\n\n RB = XX1*(XX2*SI1*SI2 +RI)\n \n RG0 = ZIP*(RB -RHG)\n\n RETURN\n END\n \n SUBROUTINE RHS(S1, S2, RG, FROW)\n\nc IMPLICIT NONE\n\n INCLUDE 'isrpia.inc'\n INCLUDE 'aero_sens_data.inc'\n \n DOUBLE PRECISION S1(NSEN), S2(NSEN)\n DOUBLE PRECISION RG(NPAIR)\n INTEGER FROW(NSEN)\n INTEGER iEQ\n DOUBLE PRECISION C1, C2 \n DOUBLE PRECISION CNA, CK, CMG\n\n iEQ = iK1\n \n IF (FROW(iEQ).EQ.1) THEN\n C1 = -3.*LN10\n C2 = 2.*LN10\n SINI(iEQ) = C1*RG(mH2SO4) +C2*RG(mHHSO4)\n & + S1( jH) *S2( jH)/MOLALD( jH)/MOLALD( jH)\n & + S1( jSO4) *S2( jSO4)/MOLALD( jSO4)/MOLALD( jSO4)\n & - S1(jHSO4) *S2(jHSO4)/MOLALD(jHSO4)/MOLALD(jHSO4)\n & - S1( jH2O) *S2( jH2O)/WATER/WATER\n ENDIF\n \n iEQ = iK2 \n \n IF (FROW(iEQ).EQ.1) THEN\n IF (CC.EQ.'A') THEN\n C1 = -2.*LN10\n C2 = 2.*LN10\n SINI(iEQ) = C1*RG(mNH4HS4) +C2*RG(mHHSO4)\n ELSE\n C1 = -2.*LN10\n C2 = 2.*LN10\n SINI(iEQ) = C1*RG(mNH4NO3) +C2*RG(mHNO3)\n ENDIF\n SINI(iEQ) = SINI(iEQ)\n & + S1(jNH4)*S2(jNH4)/MOLALD(jNH4)/MOLALD(jNH4)\n & - S1( jH)*S2( jH)/MOLALD( jH)/MOLALD( jH)\n & - S1(jNH3)*S2(jNH3)/GNH3D/GNH3D\n ENDIF\n \n iEQ = iK3\n\n IF (FROW(iEQ).EQ.1) THEN\n C1 = -2.*LN10\n SINI(iEQ) = C1*RG(mHCL)\n & + S1( jH)*S2( jH)/MOLALD( jH)/MOLALD( jH)\n & + S1( jCL)*S2( jCL)/MOLALD( jCL)/MOLALD( jCL)\n & - S1(jHCL)*S2(jHCL)/GHCLD/GHCLD\n & - 2.*S1(jH2O)*S2(jH2O)/WATER/WATER\n ENDIF\n \n iEQ = iK4\n\n IF (FROW(iEQ).EQ.1) THEN\n C1 = -2.*LN10\n SINI(iEQ) = C1*RG(mHNO3)\n & + S1( jH)*S2( jH)/MOLALD( jH)/MOLALD( jH)\n & + S1( jNO3)*S2( jNO3)/MOLALD( jNO3)/MOLALD( jNO3)\n & - S1(jHNO3)*S2(jHNO3)/GHNO3D/GHNO3D\n & - 2.*S1( jH2O)*S2( jH2O)/WATER/WATER\n ENDIF\n \n iEQ = iK5\n \n IF (FROW(iEQ).EQ.1) THEN\n C1 = -3.*LN10\n CNA = MAX(MOLALD(jNA), TINY)\n SINI(iEQ) = C1*RG(mNA2SO4)\n & + 2.*S1( jNA)*S2( jNA)/CNA/CNA\n & + S1(jSO4)*S2(jSO4)/MOLALD(jSO4)/MOLALD(jSO4)\n & - 3.*S1(jH2O)*S2(jH2O)/WATER/WATER\n ENDIF\n \n iEQ = iK6\n\n IF (FROW(iEQ).EQ.1) THEN\n SINI(iEQ) = S1(jHCL)*S2(jHCL)/GHCLD/GHCLD\n & + S1(jNH3)*S2(jNH3)/GNH3D/GNH3D\n ENDIF\n \n iEQ = iK7\n\n IF (FROW(iEQ).EQ.1) THEN\n C1 = -3.*LN10\n SINI(iEQ) = C1*RG(mNH42S4)\n & + 2.*S1(jNH4)*S2(jNH4)/MOLALD(jNH4)/MOLALD(jNH4)\n & + S1(jSO4)*S2(jSO4)/MOLALD(jSO4)/MOLALD(jSO4)\n & - 3.*S1(jH2O)*S2(jH2O)/WATER/WATER\n ENDIF\n \n iEQ = iK8\n\n IF (FROW(iEQ).EQ.1) THEN\n C1 = -2.*LN10\n CNA = MAX(MOLALD(jNA),TINY)\n SINI(iEQ) = C1*RG(mNACL)\n & + S1( jNA)*S2( jNA)/CNA/CNA\n & + S1( jCL)*S2( jCL)/MOLALD(jCL)/MOLALD(jCL)\n & - 2.*S1(jH2O)*S2(jH2O)/WATER/WATER\n ENDIF\n \n iEQ = iK9\n\n IF (FROW(iEQ).EQ.1) THEN\n C1 = -2.*LN10\n CNA = MAX(MOLALD(jNA),TINY)\n SINI(iEQ) = C1*RG(mNANO3)\n & + S1( jNA)*S2( jNA)/CNA/CNA\n & + S1(jNO3)*S2(jNO3)/MOLALD(jNO3)/MOLALD(jNO3)\n & - 2.*S1(jH2O)*S2(jH2O)/WATER/WATER\n ENDIF\n \n iEQ = iK10\n\n IF (FROW(iEQ).EQ.1) THEN\n SINI(iEQ) = S1( jNH3)*S2( jNH3)/ GNH3D/ GNH3D\n & + S1(jHNO3)*S2(jHNO3)/GHNO3D/GHNO3D\n ENDIF\n \n iEQ = iK11\n\n IF (FROW(iEQ).EQ.1) THEN\n C1 = -2.*LN10\n CNA = MAX(MOLALD(jNA),TINY)\n SINI(iEQ) = C1*RG(mNAHSO4)\n & + S1( jNA)*S2( jNA)/CNA/CNA\n & + S1(jHSO4)*S2(jHSO4)/MOLALD(jHSO4)/MOLALD(jHSO4)\n & - 2.*S1( jH2O)*S2( jH2O)/WATER/WATER\n ENDIF\n \n iEQ = iK12\n\n IF (FROW(iEQ).EQ.1) THEN\n C1 = -2.*LN10\n SINI(iEQ) = C1*RG(mNH4HS4)\n & + S1( jNH4)*S2( jNH4)/MOLALD( jNH4)/MOLALD( jNH4)\n & + S1(jHSO4)*S2(jHSO4)/MOLALD(jHSO4)/MOLALD(jHSO4)\n & - 2.*S1( jH2O)*S2( jH2O)/WATER/WATER\n ENDIF\n \n iEQ = iK13\n\n IF (FROW(iEQ).EQ.1) THEN\n C1 = -5.*LN10\n SINI(iEQ) = C1*RG(mLC)\n & + 3.*S1( jNH4)*S2( jNH4)/MOLALD( jNH4)/MOLALD( jNH4)\n & + S1(jHSO4)*S2(jHSO4)/MOLALD(jHSO4)/MOLALD(jHSO4)\n & + S1( jSO4)*S2( jSO4)/MOLALD( jSO4)/MOLALD( jSO4)\n & - 5.*S1( jH2O)*S2( jH2O)/WATER/WATER\n ENDIF\n \n iEQ = iK14\n\n IF (FROW(iEQ).EQ.1) THEN\n C1 = -3.*LN10\n SINI(iEQ) = C1*RG(mCANO32)\n & + S1( jCA)*S2( jCA)/MOLALD( jCA)/MOLALD( jCA)\n & + 2.*S1(jNO3)*S2(jNO3)/MOLALD(jNO3)/MOLALD(jNO3)\n & - 3.*S1(jH2O)*S2(jH2O)/WATER/WATER\n ENDIF\n \n iEQ = iK15\n\n IF (FROW(iEQ).EQ.1) THEN\n C1 = -3.*LN10\n SINI(iEQ) = C1*RG(mCACL2)\n & + S1( jCA)*S2( jCA)/MOLALD( jCA)/MOLALD( jCA)\n & + 2.*S1( jCL)*S2( jCL)/MOLALD( jCL)/MOLALD( jCL)\n & - 3.*S1(jH2O)*S2(jH2O)/WATER/WATER\n ENDIF\n \n iEQ = iK16\n\n IF (FROW(iEQ).EQ.1) THEN\n C1 = -3.*LN10\n CK = MAX(MOLALD(jK),TINY)\n SINI(iEQ) = C1*RG(mK2SO4)\n & + 2.*S1( jK)*S2( jK)/CK/CK\n & + S1(jSO4)*S2(jSO4)/MOLALD(jSO4)/MOLALD(jSO4)\n & - 3.*S1(jH2O)*S2(jH2O)/WATER/WATER\n ENDIF\n \n iEQ = iK17\n\n IF (FROW(iEQ).EQ.1) THEN\n C1 = -2.*LN10\n CK = MAX(MOLALD(jK),TINY)\n SINI(iEQ) = C1*RG(mKHSO4)\n & + S1( jK)*S2( jK)/CK/CK\n & + S1(jHSO4)*S2(jHSO4)/MOLALD(jHSO4)/MOLALD(jHSO4)\n & - 2.*S1( jH2O)*S2( jH2O)/WATER/WATER\n ENDIF\n \n iEQ = iK18\n\n IF (FROW(iEQ).EQ.1) THEN\n C1 = -2.*LN10\n CK = MAX(MOLALD(jK),TINY)\n SINI(iEQ) = C1*RG(mKNO3)\n & + S1( jK)*S2( jK)/CK/CK\n & + S1(jNO3)*S2(jNO3)/MOLALD(jNO3)/MOLALD(jNO3)\n & - 2.*S1(jH2O)*S2(jH2O)/WATER/WATER\n ENDIF\n \n iEQ = iK19\n\n IF (FROW(iEQ).EQ.1) THEN\n C1 = -2.*LN10\n CK = MAX(MOLALD(jK),TINY)\n SINI(iEQ) = C1*RG(mKCL)\n & + S1( jK)*S2( jK)/CK/CK\n & + S1( jCL)*S2( jCL)/MOLALD(jCL)/MOLALD(jCL)\n & - 2.*S1(jH2O)*S2(jH2O)/WATER/WATER\n ENDIF\n \n iEQ = iK20\n\n IF (FROW(iEQ).EQ.1) THEN\n C1 = -2.*LN10\n CMG = MAX(MOLALD(jMG),TINY)\n SINI(iEQ) = C1*RG(mMGSO4)\n & + S1( jMG)*S2( jMG)/CMG/CMG\n & + S1(jSO4)*S2(jSO4)/MOLALD(jSO4)/MOLALD(jSO4)\n & - 2.*S1(jH2O)*S2(jH2O)/WATER/WATER\n ENDIF\n \n iEQ = iK21\n\n IF (FROW(iEQ).EQ.1) THEN\n C1 = -3.*LN10\n CMG = MAX(MOLALD(jMG),TINY) \n SINI(iEQ) = C1*RG(mMGNO32)\n & + S1( jMG)*S2( jMG)/CMG/CMG\n & + 2.*S1(jNO3)*S2(jNO3)/MOLALD(jNO3)/MOLALD(jNO3)\n & - 3.*S1(jH2O)*S2(jH2O)/WATER/WATER\n ENDIF\n\n iEQ = iK22\n\n IF (FROW(iEQ).EQ.1) THEN\n C1 = -3.*LN10\n CMG = MAX(MOLALD(jMG),TINY)\n SINI(iEQ) = C1*RG(mMGCL2)\n & + S1( jMG)*S2( jMG)/CMG/CMG\n & + 2.*S1( jCL)*S2( jCL)/MOLALD(jCL)/MOLALD(jCL)\n & - 3.*S1(jH2O)*S2(jH2O)/WATER/WATER\n ENDIF\n \n RETURN\n END\n \n SUBROUTINE HDCALCNH3(SENS, S1, S2)\n\nc IMPLICIT NONE\n\n INCLUDE 'isrpia.inc'\n INCLUDE 'aero_sens_data.inc'\n \n DOUBLE PRECISION SENS(NSEN), S1(NSEN), S2(NSEN)\n DOUBLE PRECISION DPSI,GR,C,SR\n\nc IF (WATER.LE.TINY) RETURN\n IF ( WATER .LE. TINY .OR.\n & MOLAL(jNH4) .LE. TINY .OR.\n & MOLAL(jH) .LE. TINY .OR.\n & GNH3 .LE. TINY ) THEN\n RETURN\n ENDIF\n\n GR = -2.D0*LN10*(SGAMA(mHNO3)-SGAMA(mNH4NO3)) !GAMA RELATED\n C = ONE/MOLAL(jNH4) +ONE/MOLAL(jH) +ONE/GNH3\n SR = SENS(jNH4)/MOLAL(jNH4)\n & - SENS( jH)/MOLAL( jH) \n & - S1(jNH4)*S2(jNH4)/MOLAL(jNH4)/MOLAL(jNH4)\n & + S1( jH)*S2( jH)/MOLAL( jH)/MOLAL( jH)\n & + S1(jNH3)*S2(jNH3)/GNH3/GNH3 !SENS RELATED\n DPSI = (SR +GR)/C\n\n SENS(jNH3) = DPSI\n SENS(jNH4) = SENS(jNH4) -DPSI\n SENS(jH ) = SENS(JH ) -DPSI\n\n RETURN\n END\n\n SUBROUTINE HDCALCNA(SENS, S1, S2)\n\nc IMPLICIT NONE\n\n INCLUDE 'isrpia.inc'\n INCLUDE 'aero_sens_data.inc'\n\n DOUBLE PRECISION SENS(NSEN), S1(NSEN), S2(NSEN)\n DOUBLE PRECISION DELT,GR,SR,WR,C\n \nc IF (WTAER.LE.TINY) RETURN\n IF ( WATER .LE. TINY .OR.\n & MOLAL(jH) .LE. TINY .OR.\n & MOLAL(jNO3).LE. TINY ) RETURN\n \n WR = 2.D0*SENS(jH2O)/WATER -2.*S1(jH2O)*S2(jH2O)/WATER/WATER\n GR = -2.D0*LN10*SGAMA(mHNO3)\n \n SR = - SENS(jH)/MOLAL(jH) +SINI(iMBNO3)/GHNO3\n & +S1( jH)*S2( jH)/MOLAL( jH)/MOLAL( jH)\n & +S1( jNO3)*S2( jNO3)/MOLAL(jNO3)/MOLAL(jNO3)\n & -S1(jHNO3)*S2(jHNO3)/ GHNO3/ GHNO3\n \n C = ONE/MOLAL(jH) +ONE/MOLAL(jNO3) +ONE/GHNO3\n DELT = (SR +WR +GR)/C\n\n IF (GHNO3.EQ.ZERO) THEN\n SENS(jHNO3) = ZERO\n ELSE\n SENS(jHNO3) = SINI(iMBNO3) -DELT\n ENDIF\n\n SENS(jNO3) = DELT\n SENS(jH ) = SENS(jH) +DELT\n\n RETURN\n END\n \n SUBROUTINE HDCALCHA(SENS, S1, S2)\n\nc IMPLICIT NONE\n\n INCLUDE 'isrpia.inc'\n INCLUDE 'aero_sens_data.inc'\n\n DOUBLE PRECISION SENS(NSEN), S1(NSEN), S2(NSEN)\n DOUBLE PRECISION DELT,GR,SR,WR,C\n DOUBLE PRECISION DCL, DNO \n \nc IF (WTAER.LE.TINY) RETURN\n IF (WATER.LE.TINY) RETURN\n\n IF ( MOLAL(jH) .LE. TINY .OR.\n & MOLAL(jNO3) .LE. TINY .OR.\n & GHNO3 .LE. TINY .OR.\n & MOLAL(jCL) .LE. TINY .OR.\n & GHCL .LE. TINY ) THEN\n DCL = ZERO\n DNO = ZERO\n RETURN\n ENDIF\n \n WR = 2.D0*SENS(jH2O)/WATER -2.*S1(jH2O)*S2(jH2O)/WATER/WATER\n GR = -2.D0*LN10*SGAMA(mHCL)\n \n SR = - SENS(jH)/MOLAL(jH) +SINI(iMBCL)/GHCL\n & +S1( jH)*S2( jH)/MOLAL( jH)/MOLAL( jH)\n & +S1( jCL)*S2( jCL)/MOLAL(jCL)/MOLAL(jCL)\n & -S1(jHCL)*S2(jHCL)/GHCL/GHCL\n \n C = ONE/MOLAL(jH) +ONE/MOLAL(jCL) +ONE/GHCL\n DELT = (SR +WR +GR)/C\n\n IF (GHCL.EQ.ZERO) THEN\n SENS(jHCL) = 0.D0\n ELSE\n SENS(jHCL) = SINI(iMBCL) -DELT\n END IF\n\n SENS(jCL ) = DELT\n SENS(jH ) = SENS(jH) +DELT\n\n RETURN\n END\n \n SUBROUTINE HDCALCNHA(SENS, S1, S2)\n\nc IMPLICIT NONE\n\n INCLUDE 'isrpia.inc'\n INCLUDE 'aero_sens_data.inc'\n\n DOUBLE PRECISION SENS(NSEN), S1(NSEN), S2(NSEN)\n DOUBLE PRECISION DNO,DCL,C11,C12,C21,C22,B1,B2,SR,WR,GR\n\n IF (WATER.LE.TINY) THEN\n SENS(jHNO3) = SINI(iMBNO3)\n SENS(jHCL ) = SINI(iMBCL )\n RETURN\n ELSEIF (W(jTCL).LE.TINY.AND.W(jTNO3).LE.TINY) THEN\n RETURN\n ELSEIF (W(jTCL).LE.TINY) THEN\n CALL HDCALCNA(SENS, S1, S2)\n ELSEIF (W(jTNO3).LE.TINY) THEN\n CALL HDCALCHA(SENS, S1, S2)\n ENDIF\n\n IF( MOLAL(jH) .LE. TINY .OR.\n & MOLAL(jNO3) .LE. TINY .OR.\n & GHNO3 .LE. TINY .OR.\n & GHCL .LE. TINY .OR.\n & MOLAL(jCL) .LE. TINY ) RETURN\n\n C11 = ONE/MOLAL(jH) +ONE/MOLAL(jNO3) +ONE/GHNO3\n C12 = ONE/MOLAL(jH)\n C21 = C12\n C22 = ONE/MOLAL(jH) +ONE/MOLAL(jCL) +ONE/GHCL\n SR =-SENS(jH)/MOLAL(jH) +SINI(iMBNO3)/GHNO3\n & +S1( jH)*S2( jH)/MOLAL( jH)/MOLAL( jH)\n & +S1( jNO3)*S2( jNO3)/MOLAL(jNO3)/MOLAL(jNO3)\n & -S1(jHNO3)*S2(jHNO3)/GHNO3/GHNO3\n WR = 2.D0*SENS(jH2O)/WATER -2.*S1(jH2O)*S2(jH2O)/WATER/WATER\n GR =-2.D0*LN10*SGAMA(mHNO3)\n B1 = SR +WR +GR\n SR =-SENS(jH)/MOLAL(jH) +SINI(iMBCL)/GHCL\n & +S1( jH)*S2( jH)/MOLAL( jH)/MOLAL( jH)\n & +S1( jCL)*S2( jCL)/MOLAL(jCL)/MOLAL(jCL)\n & -S1(jHCL)*S2(jHCL)/GHCL/GHCL\n GR =-2.D0*LN10*SGAMA(mHCL)\n B2 = SR +WR +GR\n\n DCL = (B1*C21 -B2*C11)/(C21*C12 -C22*C11)\n IF (MOLAL(jCL).EQ.W(jTCL)) DCL = SINI(iMBCL)\n DNO = (B1 -C12*DCL)/C11\n IF (MOLAL(jNO3).EQ.W(jTNO3)) DNO = SINI(iMBNO3)\n IF (MOLAL(jCL).EQ.TINY.AND.MOLAL(jNO3).EQ.TINY) THEN\n DCL = ZERO\n DNO = ZERO\n ENDIF\n\n SENS(jH) = SENS(jH) +DCL +DNO\n SENS(jCL) = DCL\n SENS(jNO3) = DNO\n SENS(jHCL) = SINI(jCL) -DCL\n SENS(jHNO3) = SINI(jNO3) -DNO \n \n RETURN\n END\n\n SUBROUTINE HDCALCHS4(SENS, S1, S2)\n\nc IMPLICIT NONE\n\n INCLUDE 'isrpia.inc'\n INCLUDE 'aero_sens_data.inc'\n\n DOUBLE PRECISION SENS(NSEN), S1(NSEN), S2(NSEN)\n DOUBLE PRECISION DELTA,GR,SR,WR,C\n \n \nc IF (WATER.LE.1D1*TINY) RETURN\nc IF (MOLAL(jHSO4).EQ.ZERO) RETURN\n\n IF ( WATER.LE.1D1*TINY .OR.\n & MOLAL(jHSO4) .LE. TINY .OR.\n & MOLAL(jH) .LE. TINY .OR.\n & MOLAL(jSO4) .LE. TINY ) RETURN\n\n\n WR = -SENS(jH2O)/WATER +S1(jH2O)*S2(jH2O)/WATER/WATER \n GR = -2.D0*LN10*SGAMA(mHHSO4)+3.D0*LN10*SGAMA(mH2SO4)\n \n SR = SENS(jH)/MOLAL(jH) +SENS( jSO4)/MOLAL( jSO4)\n & - S1( jSO4)*S2( jSO4)/MOLAL( jSO4)/MOLAL( jSO4)\n & - S1( jH)*S2( jH)/MOLAL( jH)/MOLAL( jH)\n & + S1(jHSO4)*S2(jHSO4)/MOLAL(jHSO4)/MOLAL(jHSO4)\n \n C = ONE/MOLAL(jH) +ONE/MOLAL(jSO4) +ONE/MOLAL(jHSO4)\n \n DELTA = (WR +GR +SR)/C\n\n SENS(jH) = SENS(jH) -DELTA\n SENS(jSO4) = SENS(jSO4) -DELTA\n SENS(jHSO4) = DELTA\n\n RETURN\n END \n\n#endif\n\n" }, { "path": "CCTM/src/ddm3d/aero_sens_data.inc", "content": "C ===================================================================\nC This subroutine is the include file for DDM of ISORROPIAII\nC \nC Written by Wenxian Zhang in August 2011\nC\nC Reference: \nC Zhang, W., Capps, S. L., Hu, Y., Nenes, A., Napelenok, S. L., & \nC Russell, A. G. (2012). Development of the high-order decoupled \nC direct method in three dimensions for particulate matter: \nC enabling advanced sensitivity analysis in air quality models. \nC Geoscientific Model Development, 5(2), 355-368. \nC doi: 10.5194/gmd-5-355-2012\nC ===================================================================\n\n INTEGER NSEN,NDIM\n PARAMETER ( NSEN = 33 )\n INTEGER NIONSPC\n PARAMETER ( NIONSPC = NIONS + 1)\n DOUBLE PRECISION LN10\n PARAMETER (LN10=2.30258509299404568402D0)\n \n INTEGER jTNA, jTSO4, jTNH4, jTNO3, jTCL, jTCA, jTK,jTMG\n PARAMETER( jTNA = 1, \n & jTSO4 = 2,\n & jTNH4 = 3,\n & jTNO3 = 4,\n & jTCL = 5,\n & jTCA = 6,\n & jTK = 7,\n & jTMG = 8) \n\n INTEGER jH , jNA , jNH4 , jCL , jSO4 , jHSO4 ,\n & jNO3 , jCA , jK , jMG , jH2O , jNH3 , \n & jHCL , jHNO3 , jNH42S4, jNH4HS4, jNACL , jNA2SO4, \n & jNANO3 , jNH4NO3, jNH4CL , jNAHSO4, jLC , jCASO4 ,\n & jCANO32, jCACL2 , jK2SO4 , jKHSO4 , jKNO3 , jKCL ,\n & jMGSO4 , jMGNO32, jMGCL2 \n\n\n PARAMETER( jH = 1, ! IONS\n & jNA = 2,\n & jNH4 = 3,\n & jCL = 4,\n & jSO4 = 5,\n & jHSO4 = 6,\n & jNO3 = 7,\n & jCA = 8,\n & jK = 9,\n & jMG = 10,\n & jH2O = 11, ! WATER\n & jNH3 = 12, ! GASES\n & jHCL = 13,\n & jHNO3 = 14,\n & jNH42S4 = 15, ! SOLIDS\n & jNH4HS4 = 16,\n & jNACL = 17,\n & jNA2SO4 = 18,\n & jNANO3 = 19,\n & jNH4NO3 = 20,\n & jNH4CL = 21,\n & jNAHSO4 = 22,\n & jLC = 23,\n & jCASO4 = 24,\n & jCANO32 = 25,\n & jCACL2 = 26,\n & jK2SO4 = 27,\n & jKHSO4 = 28,\n & jKNO3 = 29,\n & jKCL = 30,\n & jMGSO4 = 31,\n & jMGNO32 = 32,\n & jMGCL2 = 33) \n\n INTEGER mNACL , mNA2SO4, mNANO3 , mNH42S4, mNH4NO3, mNH4CL ,\n & mH2SO4 , mHHSO4 , mNH4HS4, mHNO3 , mHCL , mNAHSO4,\n & mLC , mCASO4 , mCANO32, mCACL2 , mK2SO4 , mKHSO4 ,\n & mKNO3 , mKCL , mMGSO4 , mMGNO32, mMGCL2\n PARAMETER( mNACL = 1, ! ION PAIRS\n & mNA2SO4 = 2,\n & mNANO3 = 3,\n & mNH42S4 = 4,\n & mNH4NO3 = 5,\n & mNH4CL = 6,\n & mH2SO4 = 7,\n & mHHSO4 = 8,\n & mNH4HS4 = 9,\n & mHNO3 = 10,\n & mHCL = 11,\n & mNAHSO4 = 12,\n & mLC = 13,\n & mCASO4 = 14,\n & mCANO32 = 15,\n & mCACL2 = 16,\n & mK2SO4 = 17,\n & mKHSO4 = 18,\n & mKNO3 = 19,\n & mKCL = 20,\n & mMGSO4 = 21,\n & mMGNO32 = 22,\n & mMGCL2 = 23 )\n\n INTEGER iK1 , iK2 , iK3 , iK4 , iK5 , iK6 ,\n & iK7 , iK8 , iK9 , iK10 , iK11 , iK12 ,\n & iK13 , iMBNA , iMBSO4 , iMBNH4 , iMBNO3 , iMBCL ,\n & iCB , iZSR , iK14 , iK15 , iK16 , iK17 ,\n & iK18 , iK19 , iK20 , iK21 , iK22 , iK23 ,\n & iMBCA , iMBK , iMBMG \n PARAMETER( iK1 = 1, ! HSO4(aq) <==> H(aq) + SO4(aq)\n & iK2 = 2, ! NH3(aq) <==> NH4(aq) + OH(aq)\n & iK3 = 3, ! HCL(g) <==> H(aq) + CL(aq)\n & iK4 = 4, ! HNO3(g) <==> H(aq) + NO3(aq)\n & iK5 = 5, ! NA2SO4(s)<==> 2*NA(aq) + SO4(aq)\n & iK6 = 6, ! NH4CL(s) <==> NH3(g) + HCL(g)\n & iK7 = 7, ! (NH4)2SO4(s) <==> 2*NH4(aq) + SO4(aq)\n & iK8 = 8, ! NACL(s) <==> NA(aq) + CL(aq) \n & iK9 = 9, ! NANO3(s) <==> NA(aq) + NO3(aq)\n & iK10 = 10, ! NH4NO3(s) <==> NH3(g) + HNO3(g)\n & iK11 = 11, ! NAHSO4(s) <==> NA(aq) + HSO4(aq)\n & iK12 = 12, ! NH4HSO4(s) <==> NH4(aq) + HSO4(aq)\n & iK13 = 13, ! LC <==> 3*NH4(aq) + HSO4(aq) + SO4(aq)\n & iK14 = 14, ! CA(NO3)2(s) <==> CA(aq) + 2NO3(aq)\n & iK15 = 15, ! CACL2(s) <==> CA(aq) + 2CL(aq)\n & iK16 = 16, ! K2SO4(s) <==> 2K(aq) + SO4(aq)\n & iK17 = 17, ! KHSO4(s) <==> K(aq) + HSO4(aq)\n & iK18 = 18, ! KNO3(s) <==> K(aq) + NO3(aq)\n & iK19 = 19, ! KCL(s) <==> K(aq) + CL(aq)\n & iK20 = 20, ! MGS04(s) <==> MG(aq) + SO4(aq)\n & iK21 = 21, ! MG(NO3)2(s) <==> MG(aq) + 2NO3(aq)\n & iK22 = 22, ! MGCL2(s) <==> MG(aq) + 2CL(aq)\n & iK23 = 23,\n & iMBNA = 24, ! Mass Balances\n & iMBSO4 = 25,\n & iMBNH4 = 26,\n & iMBNO3 = 27,\n & iMBCL = 28,\n & iMBCA = 29,\n & iMBK = 30,\n & iMBMG = 31,\n & iCB = 32, ! Charge Balance\n & iZSR = 33 )! ZSR \n\n CHARACTER CC*1\n DOUBLE PRECISION SINI(NSEN) !INITIAL SENSITIVITIES\n DOUBLE PRECISION SGAMA(NPAIR)\n DOUBLE PRECISION SI1, SH1, SY1(6,4),SX1(6,4),SG01(NPAIR)\n DOUBLE PRECISION SI2, SH2, SY2(6,4),SX2(6,4),SG02(NPAIR)\n COMMON /DDMISO/ CC, SINI, SGAMA, NDIM,\n & SI1, SH1, SY1, SX1, SG01,\n & SI2, SH2, SY2, SX2, SG02\n \nc DOUBLE PRECISION MOLALD\nc COMMON /MINOR/ MOLALD(NIONS)\nc INTEGER NONPYS,SAT\nc COMMON /FILT/ NONPYS,SAT\n\n\n\n\n\n \n" }, { "path": "CCTM/src/ddm3d/aero_sens_driver.F", "content": "#ifdef sens\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE AERO_SENS( SCASI, W )\nc\nc Jim Boylan, Yeuh-Jin Yang, Ted Russell, and others at Georgia Tech - Aug 99\nc -- derived the aerosol equilibrium sensitivity equations for ISORROPIA\nc -- implemented and tested for URM-1ATM model\nc\nc Sergey L. Napelenok - Apr 03\nc -- adapted for the CMAQ ver4.3\nc\nc Sergey L. Napelenok - Jul 06\nc -- updated for CMAQ ver4.5\nc \nc Sergey L. Napelenok - May 08\nc -- updated for CMAQ ver4.7\nc -- changed the call structure (now called from AEROPROC)\nc -- now accepts the SBLK array assigned in AERO\nc -- now uses AERO_INFO to get index assignments\nc -- cleared a bunch of unused variables\nc\nc Wenxian Zhang - Sep 2013\nc -- restructure for new ddm and hddm calculations\nc\nc Sergey L. Napelenok - May 2014\nc -- implementation for CMAQ ver 5.0.2\nc\nc Sergey L. Napelenok - Feb 2015\nc -- remove limiting checks for stot and psen\nc\nc Variables passed from ISORROPIA:\nc\nc W total concentration vector (mole/m3-air)\nc WI(1) - sodium\nc WI(2) - sulfate\nc WI(3) - ammonium\nc WI(4) - nitrate\nc WI(5) - chloride\nc WI(6) - calcium\nc WI(7) - potassium\nc WI(8) - MG \nc\nc SCASI - ISORROPIA case name\nc\nc Variables calculated:\nc\nc asen speciated aerosol sensitivities (total of I & J modes)\nc asen(1) aerosol sulfate\nc asen(2) aerosol nitrate\nc asen(3) aerosol ammonia\nc asen(4) aerosol sodium\nc asen(5) aerosol chlorine\nc asen(6) aerosol hydrogen\n\n USE AERO_DATA, ONLY : aerospc_conc, aerospc_mw, ASO4_IDX, ANH4_IDX, ANO3_IDX, n_aerospc\n USE DDM3D_DEFN, ONLY : NPMAX, IPT, IPARM, HIGH, SEN_PAR, IHIGH\n Use aero_ddm3d, ONLY : s_precursor_conc, s_aerospc_conc, cbsens\n USE UTILIO_DEFN\n\n IMPLICIT NONE\n\n\nC sln =-=-=-=-=-=-= DDM-3D sensitivity variables\n\n CHARACTER( 15 ), INTENT( IN ) :: SCASI ! (INPUT) subcase number output\n REAL(KIND=8), INTENT( IN ) :: W( : ) ! (INPUT) WI concentrations \n \n REAL, PARAMETER :: cmin = 1.0E-25 ! minimum concentration\n\n INTEGER, PARAMETER :: nsize = 33 ! full matrix size\n INTEGER, PARAMETER :: ncomp = 8\n\n REAL(KIND=8), DIMENSION(nsize) :: s1 !First-order sensitivity to p1\n REAL(KIND=8), DIMENSION(nsize) :: s2 !First-order sensitivity to p2\n REAL(KIND=8), DIMENSION(nsize) :: s1d !First-order sensitivity to p1 before adjusting minor species\n REAL(KIND=8), DIMENSION(nsize) :: s2d !First-order sensitivity to p2 before adjusting minor species\n REAL(KIND=8), DIMENSION(nsize) :: psen !Temporary vector for storing solved sensitiities\n REAL(KIND=8), DIMENSION(nsize) :: psend !Temporary vector for storing solved sensitiities before adjusting minor species\n REAL(KIND=8), ALLOCATABLE, SAVE :: sens1( :,: ) \n REAL(KIND=8), ALLOCATABLE, SAVE :: sens1d( :,: )\n \n INTEGER i, j, k, ip, ip1, ip2\n\n INTEGER FCOL(nsize) ! Flags for matrix reduction\n\n REAL(KIND=8), DIMENSION(ncomp) :: stot\n\n REAL(KIND=8), DIMENSION(n_aerospc) :: fi ! Size distribution for concentration\n REAL(KIND=8) fji ! \n\n INTEGER, SAVE :: LOGDEV\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n CHARACTER( 96 ) :: XMSG = ' '\n INTEGER ALLOCSTAT\n\n INTERFACE\n SUBROUTINE AERO_SENS_CALC1(STOT,SENS,SENSD,SCASI,FCOL)\n DOUBLE PRECISION, INTENT( IN ) :: STOT( : ) ! (input) gas+pm total sensitivity\n DOUBLE PRECISION, INTENT( OUT ) :: SENS( : ) ! (output) partitioned SENSITIVITIES\n DOUBLE PRECISION, INTENT( OUT ) :: SENSD( : ) ! (output) partitioned SENSITIVITIES BEFORE MINOR\n CHARACTER( 15 ), INTENT( IN ) :: SCASI ! (input) subcase number from ISOROPIA\n INTEGER, INTENT( IN ) :: FCOL( : ) ! Flags for matrix reduction\n END SUBROUTINE AERO_SENS_CALC1\n SUBROUTINE AERO_SENS_CALC2(STOT,SENS,S1,S2,S1D,S2D,SCASI,FCOL)\n INTEGER, INTENT (INOUT) :: FCOL( : )\n DOUBLE PRECISION, INTENT( IN ) :: STOT( : )\n DOUBLE PRECISION, INTENT( OUT ) :: SENS( : ) !OUTPUT, HDDM\n DOUBLE PRECISION, INTENT( IN ) :: S1( : ) !INPUT, 1ST ORDER SENS\n DOUBLE PRECISION, INTENT( IN ) :: S2( : ) !INPUT, 2ND ORDER SENS\n DOUBLE PRECISION, INTENT( IN ) :: S1D( : ) !INPUT, 1ST ORDER SENS\n DOUBLE PRECISION, INTENT( IN ) :: S2D( : ) !INPUT, 2ND ORDER SENS\n CHARACTER( 15 ), INTENT( IN ) :: SCASI ! (input) subcase number from ISOROPIA\n END SUBROUTINE AERO_SENS_CALC2\n END INTERFACE\n\nC sln =-=-=-=-=-=-= end DDM-3D sensitivity variables\n\nc-----------------------------------------------------------------------------------------------------------------------\n\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n LOGDEV = INIT3 ()\n ALLOCATE( sens1 ( nsize, NPMAX ), \n & sens1d( nsize, NPMAX ),\n & STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating sens1 or sens1d'\n CALL M3EXIT( 'aero_sens', 0 , 0, XMSG, XSTAT2 )\n END IF\n END IF\n\nc calculate modal fractions\n\n fi = 0.0D0\n\n do i = 1, n_aerospc\n fji = ( aerospc_conc( i,1 ) + aerospc_conc( i,2 ) )\n if ( fji .lt. cmin ) then\n fi(i) = 0.0D0\n else\n fi(i) = min( (aerospc_conc( i,1 ) / fji), 1.0d0 )\n end if\n\n end do\n\nc loop through all sensitivity parameters\n\n sens1 = 0.0D0\n sens1d = 0.0D0\n\n do ip = 1,NPMAX\n\n stot = 0.0D0\n psen = 0.0D0\n psend = 0.0D0\n\n call total_sens(stot,ncomp,ip)\n\nc do j = 1,ncomp\nc if(abs(stot(j)).gt.W(j)) then\nc if (stot(j).gt.0.d0) stot(j) = 0.10d0*W(j)\nc if (stot(j).lt.0.d0) stot(j) =-0.10d0*W(j)\nc end if\nc end do\n\n if(IPT(ip).eq.4) then ! calculate second-order sensitivities\n\n cycle ! DISABLE HIGHER ORDER PM SENSITIVITY FOR NOW\n\n if ( HIGH ) then\n ip1 = IHIGH(ip,1)\n ip2 = IHIGH(ip,2)\n do j = 1,nsize\n s1(j) = sens1(j,ip1)\n s2(j) = sens1(j,ip2)\n s1d(j) = sens1d(j,ip1)\n s2d(j) = sens1d(j,ip2)\n enddo\n\n call aero_sens_calc2(stot,psen,s1,s2,s1d,s2d,SCASI,FCOL)\n\n else\n XMSG = 'DDM-3D HIGH option not enabled - check runscript'\n CALL M3EXIT ( 'aero_sens', 0, 0, XMSG, XSTAT3 )\n endif\n \n else ! calculate first-order sensitivities\n\n call aero_sens_calc1(stot,psen,psend,SCASI,FCOL)\n\n if ( HIGH ) then ! store for use in hddm calculations\n do i = 1, nsize\n sens1d(i,ip) = psend(i)\n sens1(i,ip) = psen(i)\n enddo\n end if\n\n endif\n\nc do j = 1,ncomp\nc bflag(j) = 0\nc enddo\n\nc if(abs(psen(3)) .gt.1.5D0*W(3)) bflag(3) = 1 \nc if(abs(psen(5)) .gt.1.5D0*W(2).or.abs(psen(6)).gt.2.0D0*W(2)) bflag(2) = 1 \nc if(abs(psen(7)) .gt.1.5D0*W(4)) bflag(4) = 1\nc if(abs(psen(2)) .gt.1.5D0*W(1)) bflag(1) = 1\nc if(abs(psen(4)) .gt.1.5D0*W(5)) bflag(5) = 1\nc if(abs(psen(8)) .gt.1.5D0*W(6)) bflag(6) = 1\nc if(abs(psen(9)) .gt.1.5D0*W(7)) bflag(7) = 1\nc if(abs(psen(10)).gt.1.5D0*W(8)) bflag(8) = 1\n\nc call asupdt(psen,fji,nsize,bflag,ip,ncomp)\n call asupdt(psen,fi,ncomp,nsize,ip, FCOL)\n\n end do\n\n return\n end\n\nc-----------------------------------------------------------------------------------------------------------------------\n subroutine total_sens(stot,ncomp,ip)\n \n USE AERO_DATA, ONLY : aerospc_mw, n_aerospc, n_mode,\n & ASO4_IDX, ANO3_IDX, ANH4_IDX, ANA_IDX, ACL_IDX, AK_IDX, ACA_IDX, AMG_IDX\n USE PRECURSOR_DATA, ONLY : precursor_mw, HNO3_IDX, NH3_IDX, SULPRD_IDX, HCL_IDX\n USE AERO_DDM3D, ONLY : s_aerospc_conc, s_precursor_conc\n Use aero_ddm3d, ONLY : cbsens\n \n USE UTILIO_DEFN\n\nc USE DDM3D_DEFN, ONLY : WRFLAG\n\n \n implicit none\n \n integer ncomp\n integer ip\n integer i\n \n real(kind=8), dimension(ncomp) :: stot\n \n INTEGER, SAVE :: LOGDEV\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n\nc-----------------------------------------------------------------------------------------------------------------------\n\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n LOGDEV = INIT3 ()\n END IF\n\n \n stot = 0.0d0\n\n stot(1) = ( s_aerospc_conc( ANA_IDX,1,ip ) ! ANAI\n & + s_aerospc_conc( ANA_IDX,2,ip ) ) ! ANAJ\n & * 1.0d-6 / REAL( aerospc_mw(ANA_IDX), 8 )\n\n stot(2) = ( s_aerospc_conc( ASO4_IDX,1,ip ) ! ASO4I\n & + s_aerospc_conc( ASO4_IDX,2,ip ) ) ! ASO4J \n & * 1.0d-6 / REAL( aerospc_mw(ASO4_IDX), 8 )\n & + s_precursor_conc( SULPRD_IDX,ip ) ! H2SO4\n & * 1.0d-6 / REAL ( precursor_mw( SULPRD_IDX ), 8 )\n\n stot(3) = ( s_aerospc_conc( ANH4_IDX,1,ip ) ! ANH4I\n & + s_aerospc_conc( ANH4_IDX,2,ip ) ) ! ANH4J\n & * 1.0d-6 / REAL( aerospc_mw(ANH4_IDX), 8 )\n & + s_precursor_conc( NH3_IDX,ip ) ! NH3\n & * 1.0d-6 / REAL ( precursor_mw( NH3_IDX ), 8 )\n\n stot(4) = ( s_aerospc_conc( ANO3_IDX,1,ip ) ! ANO3I\n & + s_aerospc_conc( ANO3_IDX,2,ip ) ) ! ANO3J\n & * 1.0d-6 / REAL( aerospc_mw(ANO3_IDX), 8 )\n & + s_precursor_conc( HNO3_IDX,ip ) ! HNO3\n & * 1.0d-6 / REAL ( precursor_mw( HNO3_IDX ), 8 )\n\n stot(5) = ( s_aerospc_conc( ACL_IDX,1,ip ) ! ACLI\n & + s_aerospc_conc( ACL_IDX,2,ip ) ) ! ACLJ\n & * 1.0d-6 / REAL( aerospc_mw(ACL_IDX), 8 )\n & + s_precursor_conc( HCL_IDX,ip ) ! HCL\n & * 1.0d-6 / REAL ( precursor_mw( HCL_IDX ), 8 )\n\n stot(6) = ( s_aerospc_conc( ACA_IDX,1,ip ) ! ACAI\n & + s_aerospc_conc( ACA_IDX,2,ip ) ) ! ACAJ\n & * 1.0d-6 / REAL( aerospc_mw(ACA_IDX), 8 )\n\n stot(7) = ( s_aerospc_conc( AK_IDX,1,ip ) ! AKI\n & + s_aerospc_conc( AK_IDX,2,ip ) ) ! AKJ\n & * 1.0d-6 / REAL( aerospc_mw(AK_IDX), 8 )\n\n stot(8) = ( s_aerospc_conc( AMG_IDX,1,ip ) ! AMGI\n & + s_aerospc_conc( AMG_IDX,2,ip ) ) ! AMGJ\n & * 1.0d-6 / REAL( aerospc_mw(ANA_IDX), 8 )\n\n\n cbsens = stot(1) - 2.0D0*stot(2)\n & + ( s_aerospc_conc( ANH4_IDX,1,ip ) + s_aerospc_conc( ANH4_IDX,2,ip ) )\n & * 1.0d-6 / REAL( aerospc_mw(ANH4_IDX), 8 )\n & - ( s_aerospc_conc( ANO3_IDX,1,ip ) + s_aerospc_conc( ANO3_IDX,2,ip ) )\n & * 1.0d-6 / REAL( aerospc_mw(ANO3_IDX), 8 )\n & - ( s_aerospc_conc( ACL_IDX,1,ip ) + s_aerospc_conc( ACL_IDX,2,ip ) )\n & * 1.0d-6 / REAL( aerospc_mw(ACL_IDX), 8 )\n & + 2.0D0*stot(6) + stot(7) + 2.0D0*stot(8)\n\n return\n end\n\nc-----------------------------------------------------------------------------------------------------------------------\n\nc subroutine asupdt(csens,fji,nsize,bflag,ip,ncomp)\n subroutine asupdt(csens,fi,ncomp, nsize, ip, FCOL)\n\nc 22 MAR 2017: S.L.Napelenok do updates only if case was solved.\n\n\n USE AERO_DDM3D, ONLY : s_precursor_conc, s_aerospc_conc\n USE AERO_DATA, ONLY : aerospc_mw, ASO4_IDX, ANH4_IDX, ANO3_IDX, ANA_IDX, ACL_IDX,\n & ACA_IDX, AK_IDX, AMG_IDX, n_aerospc\n USE PRECURSOR_DATA, ONLY : precursor_mw, HNO3_IDX, NH3_IDX, SULPRD_IDX, HCL_IDX\n USE UTILIO_DEFN\n \nc USE DDM3D_DEFN, ONLY : WRFLAG\n\n implicit none\n\n integer ncomp\n integer nsize\n INTEGER FCOL(nsize) ! Flags for matrix reduction\n integer ip\n CHARACTER( 15 ) :: SCASI ! (INPUT) subcase number output\n integer m\n\n real(kind=8), dimension(nsize) :: csens\n real(kind=8), dimension(ncomp) :: asen\n real(kind=8) :: f\n REAL(KIND=8), DIMENSION(n_aerospc) :: fi ! Size distribution for concentration\n\n integer, parameter :: jCL = 4\n integer, parameter :: jNO3 = 7\n integer, parameter :: jHCL = 13\n integer, parameter :: jHNO3 = 14\n\n INTEGER, SAVE :: LOGDEV\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n LOGDEV = INIT3 ()\n ENDIF\n\nc Filter very small numbers\n do m = 1, nsize\n if ( csens(m) .gt. 0.0d0 .and. csens(m) .lt. 1.0d-21 ) then\n csens(m) = 0.0d0\n endif\n if ( csens(m) .lt. 0.0d0 .and. csens(m) .gt. 1.0d-21 ) then\n csens(m) = 0.0d0\n endif\n end do\n\n f = 1.0D6\n\n asen(1) = (csens(5) + csens(6)) * f * dble(aerospc_mw(aso4_idx))\n asen(2) = csens(3) * f * dble(aerospc_mw(anh4_idx))\n asen(3) = csens(7) * f * dble(aerospc_mw(ano3_idx))\nc asen(4) = csens(2) * f * dble(aerospc_mw(ana_idx))\n asen(5) = csens(4) * f * dble(aerospc_mw(acl_idx))\nc asen(6) = csens(8) * f * dble(aerospc_mw(aca_idx))\nc asen(7) = csens(9) * f * dble(aerospc_mw(ak_idx))\nc asen(8) = csens(10) * f * dble(aerospc_mw(amg_idx))\n\nc SO4 - solved in every case\n s_precursor_conc( SULPRD_IDX, ip ) = 0.0D0\n s_aerospc_conc( ASO4_IDX,1,ip ) = asen(1) * fi(ASO4_IDX)\n s_aerospc_conc( ASO4_IDX,2,ip ) = asen(1) - s_aerospc_conc( ASO4_IDX,1,ip )\n\nc NH4 - solved in every case\n s_aerospc_conc( ANH4_IDX,1,ip ) = asen(2) * fi(ANH4_IDX)\n s_aerospc_conc( ANH4_IDX,2,ip ) = asen(2) - s_aerospc_conc( ANH4_IDX,1,ip )\n s_precursor_conc( NH3_idx,ip ) = csens(12) * f * REAL( precursor_mw(NH3_idx),8 )\n \nc NO3\n if (FCOL(jNO3) .eq. 1 ) then\n s_aerospc_conc( ANO3_IDX,1,ip ) = asen(3) * fi(ANO3_IDX)\n s_aerospc_conc( ANO3_IDX,2,ip ) = asen(3) - s_aerospc_conc( ANO3_IDX,1,ip )\n endif\n if (FCOL(jHNO3) .eq. 1 ) then\n s_precursor_conc( HNO3_idx,ip ) = csens(14) * f * REAL( precursor_mw(HNO3_idx),8 )\n endif\n\nc CL\nc if (FCOL(jCL) .eq. 1 ) then\nc s_aerospc_conc( ACL_IDX,1,ip ) = asen(5) * fji\nc s_aerospc_conc( ACL_IDX,2,ip ) = asen(5) - s_aerospc_conc( ACL_IDX,1,ip )\nc endif\nc if (FCOL(jHCL) .eq. 1 ) then\nc s_precursor_conc( HCL_idx,ip ) = csens(13) * f * REAL( precursor_mw(HCL_idx),8 )\nc endif \n\nc sln 5april2017 the species below can't possibly change due to mass balance constraints.\n\nc NA\nc if (FCOL(jNA) .eq. 1 ) then\nc s_aerospc_conc( ANA_IDX,1,ip ) = asen(4) * fji\nc s_aerospc_conc( ANA_IDX,2,ip ) = asen(4) - s_aerospc_conc( ANA_IDX,1,ip )\nc endif\nc CA\nc if (FCOL(jCA) .eq. 1 ) then\nc s_aerospc_conc( ACA_IDX,1,ip ) = asen(6) * fji\nc s_aerospc_conc( ACA_IDX,2,ip ) = asen(6) - s_aerospc_conc( ACA_IDX,1,ip )\nc endif\nc MG\nc if (FCOL(jMG) .eq. 1 ) then\nc s_aerospc_conc( AMG_IDX,1,ip ) = asen(8) * fji\nc s_aerospc_conc( AMG_IDX,2,ip ) = asen(8) - s_aerospc_conc( AMG_IDX,1,ip )\nc endif\nc K\nc if (FCOL(jK) .eq. 1 ) then\nc s_aerospc_conc( AK_IDX,1,ip ) = asen(7) * fji\nc s_aerospc_conc( AK_IDX,2,ip ) = asen(7) - s_aerospc_conc( AK_IDX,1,ip )\nc endif\n\n return\n end\n \n#endif \n" }, { "path": "CCTM/src/ddm3d/dact.inc", "content": "C ===================================================================\nC This file is the include file for calculating sensitivity of \nC the activity coefficient of ISORROPIAII\nC \nC Written by Wenxian Zhang in August 2011\nC\nC Reference: \nC Zhang, W., Capps, S. L., Hu, Y., Nenes, A., Napelenok, S. L., & \nC Russell, A. G. (2012). Development of the high-order decoupled \nC direct method in three dimensions for particulate matter: \nC enabling advanced sensitivity analysis in air quality models. \nC Geoscientific Model Development, 5(2), 355-368. \nC doi: 10.5194/gmd-5-355-2012\nC ===================================================================\n\n\n\n DOUBLE PRECISION DI(NIONSPC)\n DOUBLE PRECISION G0P(NPAIR)\n DOUBLE PRECISION DG0(NIONSPC,NPAIR)\n DOUBLE PRECISION H,DH\n DOUBLE PRECISION X(6,4), Y(6,4)\n DOUBLE PRECISION DX(NIONSPC,6,4),DY(NIONSPC,6,4)\n INTEGER IJMAP(6,4)\n DOUBLE PRECISION AGAMA\n\n COMMON /HDDMISO/ H, G0P, X, Y,\n & DI, DY, DX, DG0, DH,\n & AGAMA, IJMAP\n" }, { "path": "CCTM/src/ddm3d/load_sengrid.F", "content": "#ifdef sens\n\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/work/rep/arc/CCTM/src/init/yamo/load_cgrid.F,v 1.9 2012/01/19 14:47:23 yoj Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE LOAD_SENGRID ( FNAME, JDATE, JTIME, SPC_CAT )\n\nC-----------------------------------------------------------------------\nC Function:\nC Initialize the model CGRID array from file data\n\nC Revision history:\nC 29 Nov 12 S.L.Napelenok: adapted from load_cgrid for cmaq 5.0\nC 12 Dec 19 S.L.Napelenok: ddm-3d implementation for version 5.3.1\nC-----------------------------------------------------------------------\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE CGRID_SPCS ! CGRID mechanism species\n USE UTILIO_DEFN\n USE DDM3D_DEFN, ONLY: NP, NPMAX, SENNUM, SPCNAME, SEN_PAR, SENGRID\n\n IMPLICIT NONE\n\n INCLUDE SUBST_CONST ! constants\n INCLUDE SUBST_FILES_ID ! file name parameters\n\nC Arguments:\n\n CHARACTER( 16 ) :: FNAME\n INTEGER JDATE\n INTEGER JTIME\n CHARACTER( 2 ) :: SPC_CAT\n\nC Parameters:\n\nC minimum aerosol sulfate concentration [ ug/m**3 ]\nc REAL, PARAMETER :: AEROCONCMIN = 0.001\n\nC The following two factors assume that sulfate density is 1.8e3 [ kg/m**3 ]\nC and that the geometric mean diameter and geometric standard deviations\nC for the Aitken mode are 0.01e-6 [ m ] and 1.7 respectively\nC and are 0.07e-6 and 2.0 respectively for the accumulation mode.\n\nC factor to calculate aerosol number concentration from aerosol sulfate mass\nC concentration in the Aitken mode [ ug ].\nc REAL, PARAMETER :: NUMFACT_I = 2.988524 E11\n\nC factor to calculate aerosol number concentration from aerosol sulfate mass\nC concentration in the Accumulation mode [ ug ].\nc REAL, PARAMETER :: NUMFACT_J = 3.560191 E08\n\nC fraction of sulfuric acid vapor taken as aerosol for first time step\nc REAL, PARAMETER :: SO4VAPTOAER = 0.999\nC initial fraction of total aerosol sulfate in the Aitken mode\nc REAL, PARAMETER :: IFRACATKN = 0.04\n\n INTEGER, SAVE :: MXSPC\n INTEGER ASTAT\n\nC File variables:\n\nc REAL :: DENS( NCOLS,NROWS,NLAYS ) ! air density (kg/m^3)\n REAL :: RHOJ( NCOLS,NROWS,NLAYS ) ! air density X Jacobian (kg/m^2)\n\nC External Functions:\n\nc INTEGER, EXTERNAL :: FINDEX ! looks up number in table.\n\nC Local Variables\n\nc REAL MWH2SO4 ! H2SO4 molec. wt.\nc REAL H2SO4CONV ! ppm -> ug/m**3\nc INTEGER LSULF ! Gas chem CGRID index\nc INTEGER ISO4AJ, ISO4AI, INUMATKN, INUMACC ! CGRID aerosol indices\n\n INTEGER GXOFF, GYOFF ! global origin offset from file\n\nC for XTRACT3\n INTEGER, SAVE :: STRTCOLMC3, ENDCOLMC3, STRTROWMC3, ENDROWMC3\n INTEGER :: STRTCOLINI, ENDCOLINI, STRTROWINI, ENDROWINI\n REAL :: DBUFF( NCOLS,NROWS,NLAYS )\n\n INTEGER SPC_STRT\n INTEGER N_SPCS ! no. of species for this call\n INTEGER NDX ! loop copy of INDX\nc INTEGER ISUR ! surrogate index\n INTEGER, ALLOCATABLE, SAVE :: INDX( : ) ! Variable indices for all IC species\nc REAL, ALLOCATABLE, SAVE :: ICBC_FAC( : ) ! Factor to be applied to ICs\n INTEGER C, R, L, SPC, V ! loop counters\n INTEGER ASPC ! CGRID RHOJ pointer\nc INTEGER NCOLSDENS, NROWSDENS ! local for DENS\n\n CHARACTER( 16 ) :: PNAME = 'LOAD_SENGRID'\n CHARACTER( 16 ) :: VNAME\nc CHARACTER( 16 ) :: CONCMIN\n CHARACTER( 96 ) :: XMSG = ' '\n CHARACTER( 40 ) :: CHWARN = 'Domain extents dfrnt from model for '\nc CHARACTER( 24 ) :: ESTR1 = 'No IC found for species '\nc CHARACTER( 34 ) :: ESTR2 = ' '\n\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n\nc INTEGER, SAVE :: LOGDEV\n\nc INTEGER SENNUM\nc CHARACTER( 8 ) :: SPCNAME\nc CHARACTER( 16) :: SENNAME\n\n\nC-----------------------------------------------------------------------\n\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n LOGDEV = INIT3 ()\n CALL SUBHFILE ( MET_CRO_3D, GXOFF, GYOFF,\n & STRTCOLMC3, ENDCOLMC3, STRTROWMC3, ENDROWMC3 )\nC IOFDESC common now loaded with MET_CRO_3D header\n\n MXSPC = N_GC_SPC + N_AE_SPC + N_NR_SPC + N_TR_SPC + 1\n ALLOCATE ( INDX( MXSPC*NPMAX ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'ERROR allocating INDX'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n END IF\n\nc WRITE( CONCMIN,'(1PE8.2)' ) CMIN\n\n write(logdev,*) \"BEFORE OPEN load_sengrid\"\n\n\n IF ( .NOT. OPEN3( FNAME, FSREAD3, PNAME ) ) THEN\n XMSG = 'Could not open ' // FNAME // ' file'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n \n IF ( .NOT. DESC3( FNAME ) ) THEN\n XMSG = 'Could not get ' // FNAME // ' file description'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n \n IF ( GL_NCOLS .NE. NCOLS3D ) THEN\n WRITE( LOGDEV,* ) ' '\n WRITE( LOGDEV,* ) ' WARNING: ' // CHWARN // FNAME\n WRITE( LOGDEV,* ) '>> GL_NCOLS: ', GL_NCOLS, ' NCOLS3D: ', NCOLS3D\n END IF\n \n IF ( GL_NROWS .NE. NROWS3D ) THEN\n WRITE( LOGDEV,* ) ' '\n WRITE( LOGDEV,* ) ' WARNING: ' // CHWARN // FNAME\n WRITE( LOGDEV,* ) '>> GL_NROWS: ', GL_NROWS, ' NROWS3D: ', NROWS3D\n END IF\n \n IF ( NLAYS .NE. NLAYS3D ) THEN\n XMSG = 'Wrong number of layers in ' // FNAME // ' file'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\nc ESTR2 = ' in ' // TRIM( FNAME ) // '; set to ' // TRIM( CONCMIN )\n\nC Get INDX\n! INDX = 0 ! array assignment\n DO SPC = 1, MXSPC*NPMAX\n INDX( SPC ) = 0\n END DO\n\n\n write(logdev,*) \"load_sengrid\", SPC_CAT\n\n IF ( SPC_CAT .EQ. 'GC' ) THEN\n\n WRITE( LOGDEV,1009 ) 'transported gas-phase species'\n SPC_STRT = GC_STRT\n N_SPCS = N_GC_SPC\n DO SPC = 1, N_SPCS\nc SPCNAME = GC_SPC( SPC )( 1:12 )\n DO NP = 1, NPMAX\n SPCNAME = GC_SPC( SPC )( 1:12 )\n SPCNAME = TRIM(SPCNAME) // '_' // SEN_PAR( NP )\n SENNUM = ( SPC - 1 ) * NPMAX + NP\n NDX = INDEX1( SPCNAME, NVARS3D, VNAME3D )\n INDX( SENNUM ) = NDX\n IF ( NDX .EQ. 0 ) THEN\n XMSG = 'No IC found for sensitivity '\n & // SPCNAME // ' in ' // TRIM(FNAME)\n & // ' Set to zero.'\n CALL M3MESG ( XMSG )\n END IF\n IF ( INDX( SENNUM ) .GT. 0 )\n & WRITE( LOGDEV,1013 ) INDX( SPC ), GC_SPC( SPC )\n END DO\n END DO\n\n ELSE IF ( SPC_CAT .EQ. 'AE' ) THEN\n\n WRITE( LOGDEV,1009 ) 'transported aerosol species'\n SPC_STRT = AE_STRT\n N_SPCS = N_AE_SPC\n DO SPC = 1, N_SPCS\nc SPCNAME = AE_SPC( SPC )( 1:12 )\n DO NP = 1, NPMAX\n SPCNAME = AE_SPC( SPC )( 1:12 )\n SENNUM = ( SPC + SPC_STRT - 2 ) * NPMAX + NP\n SPCNAME = TRIM(SPCNAME) // '_' // SEN_PAR( NP )\n NDX = INDEX1( SPCNAME, NVARS3D, VNAME3D )\n INDX( SENNUM ) = NDX\n IF ( NDX .EQ. 0 ) THEN\n XMSG = 'No IC found for sensitivity ' \n & // SPCNAME // ' in ' // TRIM(FNAME) \n & // ' Set to zero.'\n CALL M3MESG ( XMSG )\n END IF\n IF ( INDX( SENNUM ) .GT. 0 )\n & WRITE( LOGDEV,1013 ) INDX( SPC ), AE_SPC( SPC )\n END DO\n END DO\n\n ELSE IF ( SPC_CAT .EQ. 'NR' ) THEN\n\n WRITE( LOGDEV,1009 ) 'transported non-reactive gas species'\n SPC_STRT = NR_STRT\n N_SPCS = N_NR_SPC\n DO SPC = 1, N_SPCS\nc SPCNAME = NR_SPC( SPC )( 1:12 )\n DO NP = 1, NPMAX\n SPCNAME = NR_SPC( SPC )( 1:12 )\n SENNUM = ( SPC + SPC_STRT - 2 ) * NPMAX + NP\n SPCNAME = TRIM(SPCNAME) // '_' // SEN_PAR( NP )\n NDX = INDEX1( SPCNAME, NVARS3D, VNAME3D )\n INDX( SENNUM ) = NDX\n IF ( NDX .EQ. 0 ) THEN\n XMSG = 'No IC found for sensitivity '\n & // SPCNAME // ' in ' // TRIM(FNAME)\n & // ' Set to zero.'\n CALL M3MESG ( XMSG )\n END IF\n IF ( INDX( SENNUM ) .GT. 0 )\n & WRITE( LOGDEV,1013 ) INDX( SPC ), NR_SPC( SPC )\n END DO\n END DO\n\n ELSE IF ( SPC_CAT .EQ. 'TR' ) THEN\n\n WRITE( LOGDEV,1009 ) 'transported inert tracer gas species'\n SPC_STRT = TR_STRT\n N_SPCS = N_TR_SPC\n DO SPC = 1, N_SPCS\nc SPCNAME = TR_SPC( SPC )( 1:12 )\n DO NP = 1, NPMAX\n SPCNAME = TR_SPC( SPC )( 1:12 )\n SENNUM = ( SPC + SPC_STRT - 2 ) * NPMAX + NP\n SPCNAME = TRIM(SPCNAME) // '_' // SEN_PAR( NP )\n NDX = INDEX1( SPCNAME, NVARS3D, VNAME3D )\n INDX( SENNUM ) = NDX\n IF ( NDX .EQ. 0 ) THEN\n XMSG = 'No IC found for sensitivity '\n & // SPCNAME // ' in ' // TRIM(FNAME)\n & // ' Set to zero.'\n CALL M3MESG ( XMSG )\n END IF\n IF ( INDX( SENNUM ) .GT. 0 )\n & WRITE( LOGDEV,1013 ) INDX( SPC ), NR_SPC( SPC )\n END DO\n END DO\n\n ELSE IF ( SPC_CAT .EQ. 'RJ' ) THEN\n\n N_SPCS = 0\n! WRITE( LOGDEV,'(/ 5X, A)' ) 'loading Density*Jacobian into CGRID'\n\n ELSE\n\n XMSG = 'Species categories incorrect for CGRID '\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n\n END IF\n \nC Read into SENGRID\n\n CALL SUBHFILE ( FNAME, GXOFF, GYOFF,\n & STRTCOLINI, ENDCOLINI, STRTROWINI, ENDROWINI )\nC IOFDESC common now loaded with FNAME header\n\n DO SPC = 1, N_SPCS\n V = SPC_STRT - 1 + SPC\n DO NP = 1, NPMAX\n SENNUM = ( SPC_STRT - 2 + SPC ) * NPMAX + NP\n NDX = INDX( SENNUM )\n\n IF ( NDX .GT. 0 ) THEN\n IF ( .NOT. XTRACT3( FNAME, VNAME3D ( NDX ),\n & 1,NLAYS, STRTROWINI,ENDROWINI, STRTCOLINI,ENDCOLINI,\n & JDATE, JTIME, DBUFF ) ) THEN\n XMSG = 'Could not read ' // TRIM( VNAME3D( NDX ) )\n & // ' from ' // FNAME\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n SENGRID( C,R,L,NP,V ) = DBUFF( C,R,L )\n END DO\n END DO\n END DO\n ELSE\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n SENGRID( C,R,L,NP,V ) = 0.0\n END DO\n END DO\n END DO\n END IF ! INDX .GT. 0\n END DO\n END DO\n\n IF ( N_SPCS .NE. 0 ) WRITE( LOGDEV,'(/ 5X, A)' )\n & SPC_CAT // ' loaded into SENGRID'\n\n IF ( SPC_CAT .EQ. 'RJ' ) THEN\n\nC Load RHOJ for transport and mixing ratio advection adjustment\n\n VNAME = 'DENSA_J'\n IF ( .NOT. XTRACT3( MET_CRO_3D, VNAME,\n & 1,NLAYS, STRTROWMC3,ENDROWMC3, STRTCOLMC3,ENDCOLMC3,\n & JDATE, JTIME, RHOJ ) ) THEN\n XMSG = 'Could not read DENSA_J from ' // MET_CRO_3D\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n ASPC = GC_STRT - 1 + N_GC_SPCD\n DO NP = 1, NPMAX\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n SENGRID( C,R,L,NP,ASPC ) = RHOJ( C,R,L )\n END DO\n END DO\n END DO\n END DO\n\n WRITE( LOGDEV,'(/ 5X, A)' ) 'Dens*Jacobian loaded into SENGRID'\n\n\n END IF\n\nC Close the file\n\n! IF ( .NOT. CLOSE3( FNAME ) ) THEN\n! XMSG = 'Could not close ' // FNAME // ' file'\n! CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n! END IF\n\n RETURN\n\n1009 FORMAT( / 5X, 'IC/BC Factors used for ', A )\n1013 FORMAT( 5X, I3, 2X, A, 1PG13.5 )\n END\n\n#endif\n" }, { "path": "CCTM/src/ddm3d/opasens.F", "content": "#ifdef sens\n\n\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n!:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE OPASENS ( JDATE, JTIME, TSTEP )\n\n! Revision History:\n! D. Wong - July 15: initial version\n! D. Wong 19 May 2016 - renamed ACONC_END_TIME to AVG_FILE_ENDTIME\n! F. Sidi 09 Sep 2019 - Replaced L_ACONC_WVEL(depreciated) with W_VEL\nC S.Napelenok 26 Nov 2019 - create from opaconc.f for cmaq-ddm3d-v5.3.1\n!-----------------------------------------------------------------------\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE AVG_CONC ! integral average CONC\n USE UTILIO_DEFN\n USE RUNTIME_VARS\n#ifdef parallel\n USE SE_MODULES ! stenex (using SE_UTIL_MODULE)\n#else\n USE NOOP_MODULES ! stenex (using NOOP_UTIL_MODULE)\n#endif\n\n USE DDM3D_DEFN, ONLY: NP, NPMAX, SEN_PAR, N_ASENS_VARS\n\n IMPLICIT NONE\n\n! Include Files:\n\n INCLUDE SUBST_FILES_ID ! file name parameters\n\n INTEGER, INTENT (IN ) :: JDATE ! current model date, coded YYYYDDD\n INTEGER, INTENT (IN ) :: JTIME ! current model time, coded HHMMSS\n INTEGER, INTENT (IN ) :: TSTEP ! output timestep (HHMMSS)\n\n! Local variables:\n\n INTEGER MDATE ! modified model date, coded YYYYDDD\n INTEGER MTIME ! modified model time, coded HHMMSS\n\n CHARACTER( 16 ) :: PNAME = 'OPASENS'\n CHARACTER( 80 ) :: VARDESC = ' '\n CHARACTER( 96 ) :: XMSG = ' '\n\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n LOGICAL OK\n\n INTEGER L, K, KD, VAR, SPC ! loop counters\n INTEGER STATUS\n\n INTEGER TSTEP_RF, NTHIK_RF, NCOLS_RF, NROWS_RF, GDTYP_RF\n REAL( 8 ) :: P_ALP_RF, P_BET_RF, P_GAM_RF\n REAL( 8 ) :: XCENT_RF, YCENT_RF\n REAL( 8 ) :: XORIG_RF, YORIG_RF\n REAL( 8 ) :: XCELL_RF, YCELL_RF\n INTEGER VGTYP_RF\n REAL VGTOP_RF\n!-----------------------------------------------------------------------\n! Define N_ASENS_VARS when a subset of species is requested and it is\n! not defined elsewhere\n\n IF ( N_ASENS_VARS .EQ. 0 ) THEN ! this happens when 'ALL' keyword\n !is not specified in the run script\n IF ( W_VEL ) THEN\n N_ASENS_VARS = N_ACONC_VARS - 1\n ELSE\n N_ASENS_VARS = N_ACONC_VARS\n END IF\n END IF\n\n! Change output date/time to starting date/time - e.g. timestamp 1995196:090000\n! represents data computed from time 1995196:090000 to 1995196:100000\n \n! Override default beginning time timestamp for ASENS? \n IF ( END_TIME ) THEN ! ending time timestamp\n MDATE = JDATE; MTIME = JTIME\n CALL NEXTIME ( MDATE, MTIME, TSTEP )\n ELSE ! beginning time timestamp\n MDATE = JDATE; MTIME = JTIME\n END IF\n \n\n! Try to open existing file for update\n OK = OPEN3( A_SENS_1, FSRDWR3, PNAME )\n CALL SUBST_GLOBAL_LOGICAL( OK, 'AND' )\n IF ( .NOT. OK ) THEN\n#ifndef twoway\n BACKSPACE( LOGDEV )\n#endif\n XMSG = 'Could not open ' // TRIM( A_SENS_1 )\n & // ' file for update - try to open new'\n CALL M3MESG( XMSG )\n\n IF ( IO_PE_INCLUSIVE ) THEN\n\n! Get default file header attibutes from CONC file (assumes file already open)\n\n IF ( .NOT. DESC3( CTM_CONC_1 ) ) THEN\n XMSG = 'Could not get '\n & // TRIM( CTM_CONC_1 )\n & // ' file description'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n! Set file header attributes that differ from CONC and open the file\n\n SDATE3D = MDATE\n STIME3D = MTIME\n TSTEP3D = TSTEP\n NVARS3D = N_ASENS_VARS * NPMAX\n NLAYS3D = A_NLYS\n\n L = 0\n DO K = ACONC_BLEV, ACONC_ELEV + 1\n L = L + 1\n VGLVS3D( L ) = VGLVS_GD( K )\n END DO\n! GDNAM3D = GDNAME_GD\n GDNAM3D = GRID_NAME ! from HGRD_DEFN\n\n FDESC3D( 1 ) = 'DDM3D Sensitivity file output '\n FDESC3D( 2 ) = 'Averaged over the synchronization time steps '\n FDESC3D( 3 ) = 'Timestamp represents beginning computed date/time '\n FDESC3D( 4 ) = 'Layer mapping (SENGRID to SAGRID):'\n KD = 4\n VAR = ACONC_BLEV\n L = 0\n DO K = KD + 1, MIN ( A_NLYS + KD, MXDESC3 )\n L = L + 1\n WRITE( FDESC3D( K ),'( \"Layer\", I3, \" to\", I3, \" \" )' )\n & VAR + L - 1, L\n END DO\n IF ( ( KD + 1 + L ) .LT. MXDESC3 ) THEN\n DO K = KD + 1 + L, MXDESC3\n FDESC3D( K ) = ' '\n END DO\n END IF\n\n WRITE( LOGDEV,* ) \n WRITE( LOGDEV, '(5x,A)' )'Avg Sens File Header Description:'\n DO K = 1, KD + L\n WRITE( LOGDEV,'(7x,A)' ) TRIM( FDESC3D( K ) )\n END DO\n\n VAR = 0\n\n DO SPC = 1, N_A_GC_SPC\n DO NP = 1, NPMAX\n VAR = VAR + 1\n VTYPE3D( VAR ) = M3REAL\n VNAME3D( VAR ) = TRIM(A_GC_SPC( SPC )(1:12)) \n & // '_' // SEN_PAR(NP)\n UNITS3D( VAR ) = 'ppmV'\n VDESC3D( VAR ) = 'Sensitivity of ' // A_GC_SPC( SPC )\n & // ' to ' // SEN_PAR(NP)\n END DO\n END DO\n\n DO SPC = 1, N_A_AE_SPC\n DO NP = 1, NPMAX\n VAR = VAR + 1\n VTYPE3D( VAR ) = M3REAL\n VNAME3D( VAR ) = TRIM(A_AE_SPC( SPC )(1:12))\n & // '_' // SEN_PAR(NP)\n IF ( VNAME3D( VAR )(1:3) .EQ. 'NUM' ) THEN\n UNITS3D( VAR ) = 'm-3'\n ELSE IF ( VNAME3D( VAR )(1:3) .EQ. 'SRF' ) THEN\n UNITS3D( VAR ) = 'm2 m-3'\n ELSE\n UNITS3D( VAR ) = 'ug m-3'\n END IF\n VDESC3D( VAR ) = 'Sensitivity of ' // A_AE_SPC( SPC )\n & // ' to ' // SEN_PAR(NP)\n END DO\n END DO\n\n DO SPC = 1, N_A_NR_SPC\n DO NP = 1, NPMAX\n VAR = VAR + 1\n VTYPE3D( VAR ) = M3REAL\n VNAME3D( VAR ) = TRIM(A_NR_SPC( SPC )(1:12))\n & // '_' // SEN_PAR(NP)\n UNITS3D( VAR ) = 'ppmV'\n VDESC3D( VAR ) = 'Sensitivity of ' // A_NR_SPC( SPC )\n & // ' to ' // SEN_PAR(NP)\n END DO\n END DO\n\n DO SPC = 1, N_A_TR_SPC\n DO NP = 1, NPMAX\n VAR = VAR + 1\n VTYPE3D( VAR ) = M3REAL\n VNAME3D( VAR ) = TRIM(A_TR_SPC( SPC )(1:12))\n & // '_' // SEN_PAR(NP)\n UNITS3D( VAR ) = 'ppmV'\n VDESC3D( VAR ) = 'Sensitivity of ' // A_TR_SPC( SPC )\n & // ' to ' // SEN_PAR(NP)\n END DO\n END DO\n\n DO SPC = 1, VAR\n WRITE( LOGDEV,'( 7X, \"=> VNAME3D(\", I5, \" ): \", A )' )\n & SPC, VNAME3D( SPC )\n END DO\n\n IF ( .NOT. OPEN3( A_SENS_1, FSNEW3, PNAME ) ) THEN\n XMSG = 'Could not open '\n & // TRIM( A_SENS_1 ) // ' file'\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n\n END IF ! MYPE = 0\n\n ELSE\n\n! File exists. Make sure it matches requested output.\n\n IF ( .NOT. DESC3( CTM_CONC_1 ) ) THEN\n XMSG = 'Could not get '\n & // TRIM( CTM_CONC_1 )\n & // ' file description'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n TSTEP_RF = TSTEP3D\n NTHIK_RF = NTHIK3D\n NCOLS_RF = NCOLS3D\n NROWS_RF = NROWS3D\n GDTYP_RF = GDTYP3D\n P_ALP_RF = P_ALP3D\n P_BET_RF = P_BET3D\n P_GAM_RF = P_GAM3D\n XCENT_RF = XCENT3D\n YCENT_RF = YCENT3D\n XORIG_RF = XORIG3D\n YORIG_RF = YORIG3D\n XCELL_RF = XCELL3D\n YCELL_RF = YCELL3D\n VGTYP_RF = VGTYP3D\n VGTOP_RF = VGTOP3D\n\n IF ( .NOT. DESC3( A_SENS_1 ) ) THEN\n XMSG = 'Could not get '\n & // TRIM( A_SENS_1 )\n & // ' file description'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n IF ( N_ACONC_VARS*NPMAX .NE. NVARS3D ) THEN\n WRITE( XMSG, '( A, 2I6 )' )\n & 'Number of variables don''t match file: ', N_ACONC_VARS*NPMAX, NVARS3D\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n\nc DO SPC = 1, N_ASPCS\nc DO VAR = 1, NVARS3D\nc IF ( ACONC_FILE_SPCS( SPC ) .EQ. VNAME3D( VAR ) ) GO TO 101\nc END DO\nc XMSG = 'Could not find ' // ACONC_FILE_SPCS( SPC )\nc CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\nc101 CONTINUE\nc END DO\n\n IF ( A_NLYS .NE. NLAYS3D ) THEN\n WRITE( XMSG, '( A, 2I6 )' )\n & 'Number of layers don''t match file: ', A_NLYS, NLAYS3D\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n\n! Check other header data with CONC file as reference\n\n IF ( TSTEP_RF .NE. TSTEP3D .OR.\n & NTHIK_RF .NE. NTHIK3D .OR.\n & NCOLS_RF .NE. NCOLS3D .OR.\n & NROWS_RF .NE. NROWS3D .OR.\n & GDTYP_RF .NE. GDTYP3D ) THEN\n XMSG = 'Header inconsistent on existing A_CONC_1'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n IF ( P_ALP_RF .NE. P_ALP3D .OR.\n & P_BET_RF .NE. P_BET3D .OR.\n & P_GAM_RF .NE. P_GAM3D ) THEN\n XMSG = 'Header inconsistent on existing A_CONC_1'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n IF ( XCENT_RF .NE. XCENT3D .OR.\n & YCENT_RF .NE. YCENT3D ) THEN\n XMSG = 'Header inconsistent on existing A_CONC_1'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n IF ( XORIG_RF .NE. XORIG3D .OR.\n & YORIG_RF .NE. YORIG3D ) THEN\n XMSG = 'Header inconsistent on existing A_CONC_1'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n IF ( XCELL_RF .NE. XCELL3D .OR.\n & YCELL_RF .NE. YCELL3D ) THEN\n XMSG = 'Header inconsistent on existing A_CONC_1'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n IF ( VGTYP_RF .NE. VGTYP3D ) THEN\n XMSG = 'Header inconsistent on existing A_CONC_1'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n IF ( VGTOP_RF .NE. VGTOP3D ) THEN\n XMSG = 'Header inconsistent on existing A_CONC_1'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n\n END IF ! .NOT. OPEN A_SENS_1\n\n END SUBROUTINE OPASENS\n\n\n#endif\n" }, { "path": "CCTM/src/ddm3d/s_lu.F", "content": "\nC***********************************************************************\nC Portions of Models-3/CMAQ software were developed or based on *\nC information from various groups: Federal Government employees, *\nC contractors working on a United States Government contract, and *\nC non-Federal sources (including research institutions). These *\nC research institutions have given the Government permission to *\nC use, prepare derivative works, and distribute copies of their *\nC work in Models-3/CMAQ to the public and to permit others to do *\nC so. EPA therefore grants similar permissions for use of the *\nC Models-3/CMAQ software, but users are requested to provide copies *\nC of derivative works to the Government without restrictions as to *\nC use by others. Users are responsible for acquiring their own *\nC copies of commercial software associated with Models-3/CMAQ and *\nC for complying with vendor requirements. Software copyrights by *\nC the MCNC Environmental Modeling Center are used with their *\nC permissions subject to the above restrictions. *\nC***********************************************************************\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/work/rep/CCTM/src/init/yamo_ddm3d/s_lu.F,v 1.1.1.1 2009/09/29 13:49:13 sjr Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\n subroutine sgeco(a,lda,n,ipvt,rcond,z)\n integer lda,n,ipvt(*)\n real a(lda,*),z(*)\n real rcond\nc\nc sgeco factors a real matrix by gaussian elimination\nc and estimates the condition of the matrix.\nc\nc if rcond is not needed, sgefa is slightly faster.\nc to solve a*x = b , follow sgeco by sgesl.\nc to compute inverse(a)*c , follow sgeco by sgesl.\nc to compute determinant(a) , follow sgeco by sgedi.\nc to compute inverse(a) , follow sgeco by sgedi.\nc\nc on entry\nc\nc a real(lda, n)\nc the matrix to be factored.\nc\nc lda integer\nc the leading dimension of the array a .\nc\nc n integer\nc the order of the matrix a .\nc\nc on return\nc\nc a an upper triangular matrix and the multipliers\nc which were used to obtain it.\nc the factorization can be written a = l*u where\nc l is a product of permutation and unit lower\nc triangular matrices and u is upper triangular.\nc\nc ipvt integer(n)\nc an integer vector of pivot indices.\nc\nc rcond real\nc an estimate of the reciprocal condition of a .\nc for the system a*x = b , relative perturbations\nc in a and b of size epsilon may cause\nc relative perturbations in x of size epsilon/rcond .\nc if rcond is so small that the logical expression\nc 1.0 + rcond .eq. 1.0\nc is true, then a may be singular to working\nc precision. in particular, rcond is zero if\nc exact singularity is detected or the estimate\nc underflows.\nc\nc z real(n)\nc a work vector whose contents are usually unimportant.\nc if a is close to a singular matrix, then z is\nc an approximate null vector in the sense that\nc norm(a*z) = rcond*norm(a)*norm(z) .\nc\nc linpack. this version dated 08/14/78 .\nc cleve moler, university of new mexico, argonne national lab.\nc\nc subroutines and functions\nc\nc linpack sgefa\nc blas saxpy,sdot,sscal,sasum\nc fortran abs,amax1,sign\nc\nc internal variables\nc\n real sdot,ek,t,wk,wkm\n real anorm,s,sasum,sm,ynorm\n integer info,j,k,kb,kp1,l\nc\nc\nc compute 1-norm of a\nc\n anorm = 0.0e0\n do 10 j = 1, n\n anorm = amax1(anorm,sasum(n,a(1,j),1))\n 10 continue\nc\nc factor\nc\n call sgefa(a,lda,n,ipvt,info)\nc\nc rcond = 1/(norm(a)*(estimate of norm(inverse(a)))) .\nc estimate = norm(z)/norm(y) where a*z = y and trans(a)*y = e .\nc trans(a) is the transpose of a . the components of e are\nc chosen to cause maximum local growth in the elements of w where\nc trans(u)*w = e . the vectors are frequently rescaled to avoid\nc overflow.\nc\nc solve trans(u)*w = e\nc\n ek = 1.0e0\n do 20 j = 1, n\n z(j) = 0.0e0\n 20 continue\n do 100 k = 1, n\n if (z(k) .ne. 0.0e0) ek = sign(ek,-z(k))\n if (abs(ek-z(k)) .le. abs(a(k,k))) go to 30\n s = abs(a(k,k))/abs(ek-z(k))\n call sscal(n,s,z,1)\n ek = s*ek\n 30 continue\n wk = ek - z(k)\n wkm = -ek - z(k)\n s = abs(wk)\n sm = abs(wkm)\n if (a(k,k) .eq. 0.0e0) go to 40\n wk = wk/a(k,k)\n wkm = wkm/a(k,k)\n go to 50\n 40 continue\n wk = 1.0e0\n wkm = 1.0e0\n 50 continue\n kp1 = k + 1\n if (kp1 .gt. n) go to 90\n do 60 j = kp1, n\n sm = sm + abs(z(j)+wkm*a(k,j))\n z(j) = z(j) + wk*a(k,j)\n s = s + abs(z(j))\n 60 continue\n if (s .ge. sm) go to 80\n t = wkm - wk\n wk = wkm\n do 70 j = kp1, n\n z(j) = z(j) + t*a(k,j)\n 70 continue\n 80 continue\n 90 continue\n z(k) = wk\n 100 continue\n s = 1.0e0/sasum(n,z,1)\n call sscal(n,s,z,1)\nc\nc solve trans(l)*y = w\nc\n do 120 kb = 1, n\n k = n + 1 - kb\n if (k .lt. n) z(k) = z(k) + sdot(n-k,a(k+1,k),1,z(k+1),1)\n if (abs(z(k)) .le. 1.0e0) go to 110\n s = 1.0e0/abs(z(k))\n call sscal(n,s,z,1)\n 110 continue\n l = ipvt(k)\n t = z(l)\n z(l) = z(k)\n z(k) = t\n 120 continue\n s = 1.0e0/sasum(n,z,1)\n call sscal(n,s,z,1)\nc\n ynorm = 1.0e0\nc\nc solve l*v = y\nc\n do 140 k = 1, n\n l = ipvt(k)\n t = z(l)\n z(l) = z(k)\n z(k) = t\n if (k .lt. n) call saxpy(n-k,t,a(k+1,k),1,z(k+1),1)\n if (abs(z(k)) .le. 1.0e0) go to 130\n s = 1.0e0/abs(z(k))\n call sscal(n,s,z,1)\n ynorm = s*ynorm\n 130 continue\n 140 continue\n s = 1.0e0/sasum(n,z,1)\n call sscal(n,s,z,1)\n ynorm = s*ynorm\nc\nc solve u*z = v\nc\n do 160 kb = 1, n\n k = n + 1 - kb\n if (abs(z(k)) .le. abs(a(k,k))) go to 150\n s = abs(a(k,k))/abs(z(k))\n call sscal(n,s,z,1)\n ynorm = s*ynorm\n 150 continue\n if (a(k,k) .ne. 0.0e0) z(k) = z(k)/a(k,k)\n if (a(k,k) .eq. 0.0e0) z(k) = 1.0e0\n t = -z(k)\n call saxpy(k-1,t,a(1,k),1,z(1),1)\n 160 continue\nc make znorm = 1.0\n s = 1.0e0/sasum(n,z,1)\n call sscal(n,s,z,1)\n ynorm = s*ynorm\nc\n if (anorm .ne. 0.0e0) rcond = ynorm/anorm\n if (anorm .eq. 0.0e0) rcond = 0.0e0\n return\n end\n\nC\nC\n SUBROUTINE SAXPY(N,SA,SX,INCX,SY,INCY)\nC CONSTANT TIMES A VECTOR PLUS A VECTOR.\nC USES UNROLLED LOOPS FOR INCREMENTS EQUAL TO ONE.\nC JACK DONGARRA, LINPACK, 3/11/78.\nC\n REAL SX(*),SY(*),SA\n INTEGER I,INCX,INCY,IX,IY,M,MP1,N\nC\n IF(N.LE.0)RETURN\n IF (SA .EQ. 0.0) RETURN\n IF(INCX.EQ.1.AND.INCY.EQ.1)GO TO 20\nC\nC CODE FOR UNEQUAL INCREMENTS OR EQUAL INCREMENTS\nC NOT EQUAL TO 1\nC\n IX = 1\n IY = 1\n IF(INCX.LT.0)IX = (-N+1)*INCX + 1\n IF(INCY.LT.0)IY = (-N+1)*INCY + 1\n DO 10 I = 1,N\n SY(IY) = SY(IY) + SA*SX(IX)\n IX = IX + INCX\n IY = IY + INCY\n 10 CONTINUE\n RETURN\nC\nC CODE FOR BOTH INCREMENTS EQUAL TO 1\nC\nC\nC CLEAN-UP LOOP\nC\n 20 M = MOD(N,4)\n IF( M .EQ. 0 ) GO TO 40\n DO 30 I = 1,M\n SY(I) = SY(I) + SA*SX(I)\n 30 CONTINUE\n IF( N .LT. 4 ) RETURN\n 40 MP1 = M + 1\n DO 50 I = MP1,N,4\n SY(I) = SY(I) + SA*SX(I)\n SY(I + 1) = SY(I + 1) + SA*SX(I + 1)\n SY(I + 2) = SY(I + 2) + SA*SX(I + 2)\n SY(I + 3) = SY(I + 3) + SA*SX(I + 3)\n 50 CONTINUE\n RETURN\n END\nC\nC\nC\n SUBROUTINE SGEFA(A,LDA,N,IPVT,INFO)\n INTEGER LDA,N,IPVT(*),INFO\n REAL A(LDA,*)\nC\nC DGEFA FACTORS A MATRIX BY GAUSSIAN ELIMINATION.\nC\nC DGEFA IS USUALLY CALLED BY DGECO, BUT IT CAN BE CALLED\nC DIRECTLY WITH A SAVING IN TIME IF RCOND IS NOT NEEDED.\nC (TIME FOR DGECO) = (1 + 9/N)*(TIME FOR DGEFA) .\nC\nC ON ENTRY\nC\nC A (LDA, N)\nC THE MATRIX TO BE FACTORED.\nC\nC LDA INTEGER\nC THE LEADING DIMENSION OF THE ARRAY A .\nC\nC N INTEGER\nC THE ORDER OF THE MATRIX A .\nC\nC ON RETURN\nC\nC A AN UPPER TRIANGULAR MATRIX AND THE MULTIPLIERS\nC WHICH WERE USED TO OBTAIN IT.\nC THE FACTORIZATION CAN BE WRITTEN A = L*U WHERE\nC L IS A PRODUCT OF PERMUTATION AND UNIT LOWER\nC TRIANGULAR MATRICES AND U IS UPPER TRIANGULAR.\nC\nC IPVT INTEGER(N)\nC AN INTEGER VECTOR OF PIVOT INDICES.\nC\nC INFO INTEGER\nC = 0 NORMAL VALUE.\nC = K IF U(K,K) .EQ. 0.0 . THIS IS NOT AN ERROR\nC CONDITION FOR THIS SUBROUTINE, BUT IT DOES\nC INDICATE THAT SGESL OR SGEDI WILL DIVIDE BY ZERO\nC IF CALLED. USE RCOND IN DGECO FOR A RELIABLE\nC INDICATION OF SINGULARITY.\nC\nC LINPACK. THIS VERSION DATED 08/14/78 .\nC CLEVE MOLER, UNIVERSITY OF NEW MEXICO, ARGONNE NATIONAL LAB.\nC\nC SUBROUTINES AND FUNCTIONS\nC\nC BLAS SAXPY,SSCAL,ISAMAX\nC\nC INTERNAL VARIABLES\nC\n REAL T\n INTEGER ISAMAX,J,K,KP1,L,NM1\nC\nC\nC GAUSSIAN ELIMINATION WITH PARTIAL PIVOTING\nC\n INFO = 0\n NM1 = N - 1\n IF (NM1 .LT. 1) GO TO 70\n DO 60 K = 1, NM1\n KP1 = K + 1\nC\nC FIND L = PIVOT INDEX\nC\n L = ISAMAX(N-K+1,A(K,K),1) + K - 1\n IPVT(K) = L\nC\nC ZERO PIVOT IMPLIES THIS COLUMN ALREADY TRIANGULARIZED\nC\n IF (A(L,K) .EQ. 0.0E0) GO TO 40\nC\nC INTERCHANGE IF NECESSARY\nC\n IF (L .EQ. K) GO TO 10\n T = A(L,K)\n A(L,K) = A(K,K)\n A(K,K) = T\n 10 CONTINUE\nC\nC COMPUTE MULTIPLIERS\nC\n T = -1.0E0/A(K,K)\n CALL SSCAL(N-K,T,A(K+1,K),1)\nC\nC ROW ELIMINATION WITH COLUMN INDEXING\nC\n DO 30 J = KP1, N\n T = A(L,J)\n IF (L .EQ. K) GO TO 20\n A(L,J) = A(K,J)\n A(K,J) = T\n 20 CONTINUE\n CALL SAXPY(N-K,T,A(K+1,K),1,A(K+1,J),1)\n 30 CONTINUE\n GO TO 50\n 40 CONTINUE\n INFO = K\n 50 CONTINUE\n 60 CONTINUE\n 70 CONTINUE\n IPVT(N) = N\n IF (A(N,N) .EQ. 0.0E0) INFO = N\n RETURN\n END\n\n\n\n SUBROUTINE SSCAL(N,SA,SX,INCX)\nC\nC SCALES A VECTOR BY A CONSTANT.\nC USES UNROLLED LOOPS FOR INCREMENT EQUAL TO ONE.\nC JACK DONGARRA, LINPACK, 3/11/78.\nC\n REAL SA, SX(*)\n INTEGER I,INCX,M,MP1,N,NINCX\nC\n IF(N.LE.0)RETURN\n IF(INCX.EQ.1)GO TO 20\nC\nC CODE FOR INCREMENT NOT EQUAL TO 1\nC\n NINCX = N*INCX\n DO 10 I = 1,NINCX,INCX\n SX(I) = SA*SX(I)\n 10 CONTINUE\n RETURN\nC\nC CODE FOR INCREMENT EQUAL TO 1\nC\nC\nC CLEAN-UP LOOP\nC\n 20 M = MOD(N,5)\n IF( M .EQ. 0 ) GO TO 40\n DO 30 I = 1,M\n SX(I) = SA*SX(I)\n 30 CONTINUE\n IF( N .LT. 5 ) RETURN\n 40 MP1 = M + 1\n DO 50 I = MP1,N,5\n SX(I) = SA*SX(I)\n SX(I + 1) = SA*SX(I + 1)\n SX(I + 2) = SA*SX(I + 2)\n SX(I + 3) = SA*SX(I + 3)\n SX(I + 4) = SA*SX(I + 4)\n 50 CONTINUE\n RETURN\n END\n\n\n\n INTEGER FUNCTION ISAMAX(N,SX,INCX)\nC\nC FINDS THE INDEX OF ELEMENT HAVING MAX. ABSOLUTE VALUE.\nC JACK DONGARRA, LINPACK, 3/11/78.\nC\n REAL SX(*),SMAX\n INTEGER I,INCX,IX,N\nC\n ISAMAX = 0\n IF( N .LT. 1 ) RETURN\n ISAMAX = 1\n IF(N.EQ.1)RETURN\n IF(INCX.EQ.1)GO TO 20\nC\nC CODE FOR INCREMENT NOT EQUAL TO 1\nC\n IX = 1\n SMAX = ABS(SX(1))\n IX = IX + INCX\n DO 10 I = 2,N\n IF(ABS(SX(IX)).LE.SMAX) GO TO 5\n ISAMAX = I\n SMAX = ABS(SX(IX))\n 5 IX = IX + INCX\n 10 CONTINUE\n RETURN\nC\nC CODE FOR INCREMENT EQUAL TO 1\nC\n 20 SMAX = ABS(SX(1))\n DO 30 I = 2,N\n IF(ABS(SX(I)).LE.SMAX) GO TO 30\n ISAMAX = I\n SMAX = ABS(SX(I))\n 30 CONTINUE\n RETURN\n END\n\n SUBROUTINE SGESL(A,LDA,N,IPVT,B,JOB)\n INTEGER LDA,N,IPVT(*),JOB\n REAL A(LDA,*),B(*)\nC\nC SGESL SOLVES THE REAL SYSTEM\nC A * X + B OR TRANS(A) * X + B\nC USING THE FACTORS COMPUTED BY SGECO OR SGEFA.\nC\nC ON ENTRY\nC\nC A REAL(LDA, N)\nC THE OUTPUT FROM SGECO OR SGEFA.\nC\nC LDA INTEGER\nC THE LEADING DIMENSION OF THE ARRAY A.\nC\nC N INTEGER\nC THE PIVOT VECTOR FROM SGECO OR SGEFA.\nC\nC B REAL(N)\nC THE RIGHT HAND SIDE VECTOR.\nC\nC JOB INTEGER\nC = 0 TO SOLVE A*X + B,\nC = NONZERO TO SOLVE TRANS(A)*X = B WHERE\nC TRANS(A) IS THE TRANSPOSE.\nC ON RETURN\nC\nC B THE SOLUTION VECTOR X.\nC\nC ERROR CONDITION\nC\nC A DIVISION BY ZERO WILL OCCUR IF THE INPUT FACTOR CONTAINS A\nC ZERO ON THE DIADONAL. TECHNICALLY THIS INDICATES SINGULARITY\nC BUT IT IS OFTEN CUASED BY IMPROPER ARGUMENTS OR IMPROPER\nC SETTING OF LDA . IT WILL NOT OCCUR IF THE SUBROUTINES ARE\nC CALLED CORRECTLY AND IF SGECO HAS SET RCOND .GT. 0.0\nC OR SGEFA HAS SET INFO .EQ. 0 .\nC\nC TO COMPUTE INVERSE(A) * C WHERE C IS A MATRIX\nC WITH P COLUMNS\nC CALL SGECO(A,LDA,N,IPVT,RCOND,Z)\nC IF (RCOND IS TOO SMALL) GO TO ...\nC DO 10 J = 1, P\nC CALL SGESL(A,LDA,N,IPVT,C(1,J),0)\nC 10 CONTINUE\nC LINPACK. THIS VERSION DATED 08/14/78 .\nC CLEVE MOLER, UNIVERSITY OF NEW MEXICO, ARGONNE NATIONAL LAB.\nC\nC SUBROUTINES AND FUNCTIONS\nC\nC BLAS SAXPY,SDOT\nC\nC INTERNAL VARIABLES\nC\n REAL SDOT,T\n INTEGER K,KB,L,NM1\nC\n NM1 = N -1\n IF (JOB .NE. 0) GO TO 50\nC\nC JOB = 0 , SOLVE A * X = B\nC FIRST SOLVE L*Y = B\nC\n IF (NM1 .LT. 1) GO TO 30\n DO 20 K =1, NM1\n L = IPVT(K)\n T = B(L)\n IF (L .EQ. K) GO TO 10\n B(L) = B(K)\n B(K) = T\n 10 CONTINUE\n CALL SAXPY(N-K,T,A(K+1,K),1,B(K+1),1)\n 20 CONTINUE\n 30 CONTINUE\nC\nC NOW SOLVE U*X = Y\nC\n DO 40 KB = 1, N\n K = N + 1 - KB\n B(K) = B(K)/A(K,K)\n T = -B(K)\n CALL SAXPY(K-1,T,A(1,K),1,B(1),1)\n 40 CONTINUE\n GO TO 100\n 50 CONTINUE\nC\nC JOB = NONZERO, SOLVE TRANS(A) * X + B\nC FIRST SOLVE TRANS(U)*Y = B\nC\n DO 60 K = 1, N\n T = SDOT(K-1,A(1,K),1,B(1),1)\n B(K) = (B(K) - T)/A(K,K)\n 60 CONTINUE\nC\nC NOW SOLVE TRANS(L)*X = Y\nC\n IF (NM1 .LT. 1) GO TO 90\n DO 80 KB = 1, NM1\n K = N - KB\n B(K) = B(K) + SDOT(N-K,A(K+1,K),1,B(K+1),1)\n L = IPVT(K)\n IF (L .EQ. K) GO TO 70\n T = B(L)\n B(L) = B(K)\n B(K) = T\n 70 CONTINUE\n 80 CONTINUE\n 90 CONTINUE\n 100 CONTINUE\n RETURN\n END\nC\nC\n REAL FUNCTION SDOT(N,SX,INCX,SY,INCY)\nC\nC FORMS THE DOT PRODUCT OF TWO VECTORS.\nC USES UNROLLED LOOPS FOR INCREMENTS EQUAL TO ONE.\nC JACK DONGARRA, LINPACK, 3/11/78.\nC\n REAL SX(*),SY(*),STEMP\n INTEGER I,INCX,INCY,IX,IY,M,MP1,N\nC\n STEMP = 0.0E0\n SDOT = 0.0E0\n IF(N.LE.0) RETURN\n IF(INCX .EQ. 1 .AND. INCY .EQ. 1) GO TO 20\nC\nC CODE FOR UNEQUAL INCRMENTS OR EQUAL INCREMENTS\nC NOT EQUAL TO 1\nC\n IX = 1\n IY = 1\n IF(INCX.LT.0)IX = (-N+1)*INCX + 1\n IF(INCY.LT.0)IY = (-N+1)*INCY + 1\n DO 10 I = 1,N\n STEMP = STEMP + SX(IX)*SY(IY)\n IX = IX + INCX\n IY = IY + INCY\n 10 CONTINUE\n SDOT = STEMP\n RETURN\nC\nC CODE FOR BOTH INCREMENTS EQUAL To 1\nC\nC\nC CLEAN-UP LOOP\nC\n 20 M = MOD(N,5)\n IF( M .EQ. 0) GO TO 40\n DO 30 I = 1,M\n STEMP = STEMP + SX(I)*SY(I)\n 30 CONTINUE\n IF( N .LT. 5) GO TO 60\n 40 MP1 = M + 1\n DO 50 I = MP1,N,5\n STEMP = STEMP + SX(I)*SY(I) + SX(I + 1)*SY(I + 1) +\n & SX(I + 2)*SY(I + 2) + SX(I + 3)*SY(I + 3) + SX(I + 4)*SY(I + 4)\n 50 CONTINUE\n 60 SDOT = STEMP\n RETURN\n END\nC\nC\n REAL FUNCTION SASUM(N,X,INCX)\nC\nC TAKES THE SUM OF THE ABSOLUTE VALUES.\nC JACK DONGARRA, LINPACK, 3/11/78.\nC\n REAL X(*),TEMP\n INTEGER I,INCX,M,MP1,N,NINCX\nC\n SASUM = 0.0E0\n TEMP = 0.0E0\n IF(N.LE.0)RETURN\n IF(INCX.EQ.1)GO TO 20\nC\nC CODE FOR INCREMENT NOT EQUAL TO 1\nC\n NINCX = N*INCX\n DO 10 I = 1,NINCX,INCX\n TEMP = TEMP + ABS(X(I))\n 10 CONTINUE\n SASUM = TEMP\n RETURN\nC\nC CODE FOR INCREMENT EQUAL TO 1\nC\nC\nC CLEAN-UP LOOP\nC\n 20 M = MOD(N,6)\n IF( M .EQ. 0 ) GO TO 40\n DO 30 I = 1,M\n TEMP = TEMP + ABS(X(I))\n 30 CONTINUE\n IF( N .LT. 6 ) GO TO 60\n 40 MP1 = M + 1\n DO 50 I = MP1,N,6\n TEMP = TEMP + ABS(X(I)) + ABS(X(I + 1)) + ABS(X(I + 2))\n * + ABS(X(I + 3)) + ABS(X(I + 4)) + ABS(X(I + 5))\n 50 CONTINUE\n 60 SASUM = TEMP\n RETURN\n END\n\n" }, { "path": "CCTM/src/ddm3d/s_zfdbc.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/CCTM/src/hadv/yamo/zfdbc.f,v 1.2 2011/10/21 16:11:21 yoj Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n REAL FUNCTION S_ZFDBC (C1, C2, V1, V2)\n\nc Zero Flux Divergence Boundary Condition (See Jon Pleim's JGR (1991) paper)\nc To eliminate reflections and other boundary anomolies\nC Problem if V1 is outflow, but V2 is inflow\n\nc For sensitivity, negative values are possible, so MAX statement removed.\n\n IMPLICIT NONE\n REAL SMALL\n PARAMETER (SMALL = 1.0E-03 ) ! for small wind speed (m/s)\n REAL C1, C2, V1, V2\n \n IF ( ABS( V1 ) .GE. SMALL ) THEN\n IF ( V1 * V2 .GT. 0.0 ) THEN\nc ZFDBC = MAX (0.0, C1 - V2 / V1 * (C2 - C1)) \n S_ZFDBC = C1 - V2 / V1 * (C2 - C1)\n ELSE\n S_ZFDBC = C1 ! nothing changes for wind divergence at edge\n END IF\n ELSE\n S_ZFDBC = C1 ! nothing changes for small wind speed\n END IF\n\n RETURN\n END\n" }, { "path": "CCTM/src/ddm3d/sinput.F", "content": "#ifdef sens\nC***********************************************************************\nC Portions of Models-3/CMAQ software were developed or based on *\nC information from various groups: Federal Government employees, *\nC contractors working on a United States Government contract, and *\nC non-Federal sources (including research institutions). These *\nC research institutions have given the Government permission to *\nC use, prepare derivative works, and distribute copies of their *\nC work in Models-3/CMAQ to the public and to permit others to do *\nC so. EPA therefore grants similar permissions for use of the *\nC Models-3/CMAQ software, but users are requested to provide copies *\nC of derivative works to the Government without restrictions as to *\nC use by others. Users are responsible for acquiring their own *\nC copies of commercial software associated with Models-3/CMAQ and *\nC for complying with vendor requirements. Software copyrights by *\nC the MCNC Environmental Modeling Center are used with their *\nC permissions subject to the above restrictions. *\nC***********************************************************************\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/work/rep/CCTM/src/init/yamo_ddm3d/sinput.F,v 1.1.1.1 2009/09/29 13:49:13 sjr Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\n SUBROUTINE SINPUT( STDATE, STTIME )\n\nC--------------------------------------------------------------------\nC Function: SINPUT\nC Reads from the sensitivity input file to determine the desired\nC number of sensitivity parameters, their type (e.g., sens to emissions\nC or sens to init conditions) and associated species (IPARM)\nC \nC Adapted by Daniel Cohan, Jan 2002, from code written for MAQSIP by \nC Amir Hakami\nC Updated for compatibility with Intel compiler, Jan. 2004, which\nC involved major changes to define variables as pointers.\nC REGIONS file is now read within sinput rather than in rdregion,\nC and SENS.EXT and REGIONS.EXT files are no longer needed.\nC Changed MAXDATES to NDAYS.\nC Updated Aug 2006 for reaction rate sensitivities.\nC 11 Aug 2011 S.L. Napelenok: restructured emissions options for inline\nC 20 Nov 2012 S.L. Napelenok: update for cmaq 5.0.1\nC 21 Oct 2015 S.L. Napelenok: update for cmaq 5.1.1\nC shorten SEN_PAR to only 3 characters due\nC to long species names\nC 20 Nov 2019 S.L. Napelenok: update for cmaq 5.3.1\nC remove MY_N*; clean-up variable declarations;\nC update regional and emissions tream logic;\nC\nC\nC--------------------------------------------------------------------\n\n USE UTILIO_DEFN\n USE DDM3D_DEFN\n USE HGRD_DEFN, ONLY: NCOLS, NROWS, GL_NCOLS, GL_NROWS, COLSX_PE, ROWSX_PE, MYPE\n USE VGRD_DEFN, ONLY: NLAYS\n USE RXNS_DATA, ONLY: NRXNS\n USE RUNTIME_VARS, ONLY: LPVO3\n\n IMPLICIT NONE\n\n INCLUDE SUBST_FILES_ID ! file name parameters\n\n CHARACTER( 256 ) :: TXT, TXT2, EMISTYPE\n INTEGER STDATE ! starting date, format YYYYDDD\n INTEGER STTIME ! starting time, format HHMMSS\n INTEGER NSPC( NPMAX ) ! number of species chosen\n ! for that sensitivity parameter\n INTEGER SPCORDER( NPMAX, NSPCSD ) ! holds the species numbers\n ! in the order in which they\n ! are specified in the input file\n\n REAL AMOUNT ! used to read in emission rate\n INTEGER HOUR ! counter over the hours\n INTEGER LAYER ! used to read in layer\n INTEGER RXN ! used to read in reaction number\n INTEGER TIME1, TIME2 ! used to read in begin & end time\n INTEGER DATE ! used to read in desired date\n INTEGER NDATE ! counter over the dates\n INTEGER NUMDATES ! number of dates for that sens\n INTEGER LASTDATE ! STDATE + NDAYS;\n ! note that this may be gt the actual\n ! enddate of the simulation\n\n INTEGER NPSEN ! num of sens parameters\n INTEGER JVUNIT\n INTEGER NUM ! spc indx num returned by\n ! SEN_NUM or REAC_NUM\n INTEGER SPC, S, P, ROW\n\n CHARACTER( 255) :: INFLNAME ! input file name\n CHARACTER( 16 ) :: SEN_INPUT = 'SEN_INPUT ' ! input file name\n CHARACTER( 1 ) :: BLANK = ' '\n CHARACTER( 2 ) :: BLANK2 = ' '\n CHARACTER( 3 ) :: BLANK3 = ' '\n CHARACTER( 10 ) :: BLANK10= ' '\n CHARACTER( 1 ) :: JUNK\nc CHARACTER( 1 ) :: JUNKA\nc CHARACTER( 1 ) :: JUNKB, JUNKC, JUNKD\nc CHARACTER( 2 ) :: JUNK2\n CHARACTER( 16 ), SAVE :: PNAME = 'SINPUT'\n CHARACTER( 120) :: XMSG = ' '\n\n INTEGER ALLOCSTAT\n\n CHARACTER( 80 ) :: VARDESC ! environment variable description\n INTEGER STATUS ! ENVYN status\n\n INTEGER LOGDEV\nc INTEGER I\n\nC Variables used for hddm-3d\n INTEGER CHECK\n\n INTERFACE\n SUBROUTINE SEN_NUM( TEMP, NUM )\n CHARACTER( * ), INTENT( IN ) :: TEMP\n INTEGER, INTENT( OUT ) :: NUM\n END SUBROUTINE SEN_NUM\n SUBROUTINE REAC_NUM( TEMP, NUM )\n CHARACTER( * ), INTENT( IN ) :: TEMP\n INTEGER, INTENT( OUT ) :: NUM\n END SUBROUTINE REAC_NUM\n END INTERFACE\n\nCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCc\n\n LOGDEV = INIT3 ()\n\nC Initialize IPT, IPARM, IREGION, IRXN to 0; \nC SEN_PAR to blank\n GRID_FILE = ' '\n PT3D_FILE = ' '\n GRID_NUM = 0\n PT3D_NUM = 0\n\n IPT = 0\n NSPC = 0\n SEN_PAR = BLANK\n IRXN = 0\n IPARM = 0\n IAMOUNT = 0.0\n IDATE = 0\n ITIME( :,1 ) = 0\n ITIME( :,2 ) = 240000\n ILAYER = 1\n IREGION = 0.0\n\n S_NSTREAMS = 0\n S_STREAMLBL = 'empty' \n S_NRGN = 0\n S_RGNLBL = 'empty' \n\n NPSEN = 0\n\nC Open input file SEN_INPUT\n CALL NAMEVAL ( SEN_INPUT, INFLNAME )\n JVUNIT = JUNIT( )\n\n OPEN ( UNIT = JVUNIT, FILE=INFLNAME, STATUS = 'OLD') \n\n ! Read in name of sensitivity\n READ(JVUNIT,'(A80)',END=999) TXT\n\n IF ( TXT( 1:3 ) .EQ. 'END' ) THEN\n GOTO 999\n END IF\n\n IF ( TXT( :1 ) .EQ. BLANK ) THEN\n XMSG = 'Expecting sensitivity name. ' //\n & 'Cannot begin with a space.'\n CALL M3EXIT( PNAME, STDATE, STTIME, XMSG, XSTAT1 )\n END IF\n\n 20 CONTINUE\n NPSEN = NPSEN + 1\n\n IF ( NPSEN .GT. NPMAX ) THEN\n XMSG = 'NPSEN exceeds NPMAX. Change NPMAX in run script.' \n write(logdev,*) 'NPSEN counter up to ', NPSEN, ' NPMAX = ', NPMAX\n CALL M3EXIT( PNAME, STDATE, STTIME, XMSG, XSTAT1 )\n END IF\n\n SEN_PAR( NPSEN ) = TXT( 1:3 ) \n\n ! Read in the type of sensitivity \n ! (only ICON, EMIS, BCON, RATE, HIGH, and PVO3 implemented so far)\n READ( JVUNIT, '(A80)', END = 999 ) TXT\n\nCCCCCCC Sensitivity to Emissions CCCCCCCCCCCCCCCCCCCCCCCCCCCCC\n IF ( INDEX( TXT, 'EMIS' ) .NE. 0 ) THEN\n IPT( NPSEN ) = 3\n S_NSTREAMS( NPSEN ) = 99 ! assume all streams at first\n S_STREAMLBL( NPSEN,: ) = 'all'\n 30 CONTINUE\n\n ! Check if an emissions label has been specified. Otherwise, assume total.\n READ( JVUNIT, '(A80)', END = 999 ) EMISTYPE\n\n IF ( INDEX(EMISTYPE,'SPECIES') .NE. 0 ) THEN ! start reading species\n GOTO 35 ! \n ELSE IF ( INDEX(EMISTYPE,'TOTA') .NE. 0 ) THEN ! all streams\n GOTO 30\n ELSE !\n S_STREAMLBL( NPSEN,: ) = 'empty'\n S_NSTREAMS( NPSEN ) = 1 + COUNT(TRANSFER(EMISTYPE, 'A', LEN(EMISTYPE)) == \",\" )\n READ(EMISTYPE,*) S_STREAMLBL( NPSEN, 1:S_NSTREAMS( NPSEN ) )\n GOTO 30\n END IF\n\nCCCCCCC Sensitivity to vorticity CCCCCCCCCCCCCCCCCCCCC\n ELSE IF ( INDEX( TXT, 'PVO3' ) .NE. 0 ) THEN\n IF ( LPVO3 ) THEN\n IPT( NPSEN ) = 6\n ELSE\n XMSG = 'Set CTM_PVO3 option to Y in the runscript ' //\n & 'to calculate potential vorticity sensitivity'\n CALL M3EXIT( PNAME,STDATE,STTIME,XMSG,XSTAT1 )\n END IF\n\n READ( JVUNIT, '(A80)', END = 999 ) TXT\n\n IF ( TXT ( :8 ) .NE. ' SPECIES' ) THEN\n XMSG = 'Expecting header SPECIES ' //\n & '(allcap, 1 leading space).'\n CALL M3EXIT( PNAME,STDATE,STTIME,XMSG,XSTAT1 )\n END IF\n\nCCCCCCC Sensitivity to initial conditions CCCCCCCCCCCCCCCCCCCCC\n ELSE IF ( INDEX( TXT, 'ICON' ) .NE. 0 ) THEN\n IPT( NPSEN ) = 1 \n\n READ( JVUNIT, '(A80)', END = 999 ) TXT\n\n IF ( TXT ( :8 ) .NE. ' SPECIES' ) THEN\n XMSG = 'Expecting header SPECIES ' //\n & '(allcap, 1 leading space).'\n CALL M3EXIT( PNAME,STDATE,STTIME,XMSG,XSTAT1 )\n END IF \n\nCCCCCCC Sensitivity to boundary conditions CCCCCCCCCCCCCCCCCC\n ELSE IF ( INDEX( TXT, 'BCON' ) .NE. 0 ) THEN\n IPT( NPSEN ) = 2\n \n READ( JVUNIT, '(A80)', END = 999 ) TXT\n\n IF ( TXT ( :8 ) .NE. ' SPECIES' ) THEN\n XMSG = 'Expecting header SPECIES ' //\n & '(allcap, 1 leading space).'\n CALL M3EXIT( PNAME,STDATE,STTIME,XMSG,XSTAT1 )\n END IF\n\nCCCCCCC Higher-order sensitivity CCCCCCCCCCCCCCCCCCCCCCCCCCCC\n ELSE IF ( INDEX( TXT, 'HIGH' ) .NE. 0 ) THEN\n\n IF ( .NOT. HIGH ) THEN\n XMSG = 'hddm-3d option not set'\n CALL M3EXIT( PNAME,STDATE,STTIME,XMSG,XSTAT1 )\n END IF\n\n IPT( NPSEN ) = 4\n\n CHECK = 0\n\n ! Read the first part of the 2nd order derivative\n ! and match it with an existing parameter\n READ( JVUNIT, '(A80)', END = 999 ) TXT\n\n ! Set IPARM( NPSEN, P ) to 1 for the P matching the\n ! existing parameter \n DO P = 1, NPSEN - 1\n IF ( TXT( 2:4 ) .EQ. SEN_PAR( P ) ) THEN\n IPARM( NPSEN, P ) = 1\n CHECK = CHECK + 1\n END IF\n END DO\n\n IF ( CHECK .NE. 1 ) THEN\n XMSG = 'Could not match sensitivity name ' //\n & TXT( 2:9 ) //\n & ' for higher-order sens.'\n CALL M3EXIT( PNAME,STDATE,STTIME,XMSG,XSTAT1 )\n END IF\n\n CHECK = 0\n\n ! Read the second part of the 2nd order derivative\n ! and match it with an existing parameter\n READ( JVUNIT, '(A80)', END = 999 ) TXT\n\n ! Set IPARM( NPSEN, P ) to 2 if this is different\n ! from the first part of the derivative \n ! ( e.g., d2(O3)/{d(NOx)d(VOC)} )\n ! and to 3 if it is the same parameter (e.g., d2(O3)/d(NOx)2)\n DO P = 1, NPSEN - 1\n IF ( TXT( 2:4 ) .EQ. SEN_PAR( P ) ) THEN\n IPARM( NPSEN, P ) = IPARM( NPSEN, P ) + 2\n CHECK = CHECK + 1\n END IF\n END DO\n\n IF ( CHECK .NE. 1 ) THEN\n XMSG = 'Could not match sensitivity name ' //\n & TXT( 2:9 ) //\n & ' for higher-order sens.'\n CALL M3EXIT( PNAME,STDATE,STTIME,XMSG,XSTAT1 )\n END IF\n\n 32 CONTINUE\n\n READ( JVUNIT, '(A80)', END = 999 ) TXT\n\n\n IF ( TXT( :10 ) .EQ. BLANK10 ) GOTO 32\n IF ( TXT( :3 ) .EQ. 'END' ) GOTO 999\n IF ( TXT( :1 ) .NE. BLANK ) THEN\n GOTO 20\n ELSE\n XMSG = 'Unexpected text ' // TXT\n CALL M3EXIT( PNAME,STDATE,STTIME,XMSG,XSTAT1 )\n END IF\n\nCCCCCCC Sensitivity to a chemical reaction rate constant CCCCC\n ELSE IF ( INDEX( TXT, 'RATE' ) .NE. 0 ) THEN\n IPT( NPSEN ) = 5\n\n READ( JVUNIT, '(A80)', END = 999 ) TXT\n\n IF ( TXT ( :9 ) .NE. ' REACTION' ) THEN\n XMSG = 'Expecting header REACTION ' //\n & '(allcap, 1 leading space).'\n CALL M3EXIT( PNAME,STDATE,STTIME,XMSG,XSTAT1 )\n END IF\n\n ! Which reaction?\n READ( JVUNIT, '(A80)', END = 999 ) TXT\n IF ( TXT( :2 ) .NE. BLANK2 ) THEN\n XMSG = 'Expected two blanks before reaction name.'\n CALL M3EXIT( PNAME,STDATE,STTIME,XMSG,XSTAT1 )\n END IF\n\n 33 CONTINUE \n\n ! REAC_NUM finds the reaction number corresponding to the input name\n CALL REAC_NUM( TXT( 3:18 ), NUM )\n IRXN( NPSEN, NUM ) = 1\n\n 34 CONTINUE\n\n ! Check if there is more than 1 reaction\n READ( JVUNIT, '(A80)', END = 999 ) TXT\n IF ( TXT( :10 ) .EQ. BLANK10 ) GOTO 34\n IF ( TXT( :2 ) .EQ. BLANK2 ) THEN\n GOTO 33 ! Another reaction\n ELSE\n GOTO 50 ! Not another reaction, so check for\n ! other specifications or new sens parameter\n END IF\n\nCCCCCCC Unrecognized or non-implemented sens type CCCCCCCCCCCC\n ELSE\n XMSG = 'Sentype not recognized: ' // TXT //\n & '. Use EMIS, ICON, BCON, RATE, HIGH, or PVO3 '\n CALL M3EXIT( PNAME,STDATE,STTIME,XMSG,XSTAT1 )\n\n END IF ! Finished setting sentype\n\n 35 CONTINUE\n\nCCCCCCC Which species? CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC\n READ( JVUNIT, '(A256)', END = 999 ) TXT\n\n IF ( TXT( :2 ) .NE. BLANK2 ) THEN\n XMSG = 'Need two leading spaces before a species.'\n CALL M3EXIT( PNAME,STDATE,STTIME,XMSG,XSTAT1 )\n END IF\n\n IF ( INDEX( TXT, 'ALL' ) .NE. 0 ) THEN ! all CMAQ species\n NSPC( NPSEN ) = NSPCSD\n DO SPC = 1, NSPCSD\n IPARM( NPSEN, SPC ) = 1\n SPCORDER( NPSEN, SPC ) = SPC\n END DO\n GOTO 45\n ELSE ! Map specified species\n NSPC( NPSEN ) = 1+COUNT(TRANSFER(TXT, 'A', LEN(TXT)) == \",\")\n READ(TXT,*) S_SPCLIST( NPSEN, 1:NSPC( NPSEN ) )\n DO SPC = 1, NSPC( NPSEN )\n CALL SEN_NUM( S_SPCLIST( NPSEN,SPC), NUM )\n IPARM( NPSEN, NUM ) = 1\n SPCORDER( NPSEN, NSPC( NPSEN ) ) = NUM\n END DO\n END IF\n\n 45 CONTINUE\n \n READ( JVUNIT, '(A80)', END = 999 ) TXT\n\n IF ( TXT( :10 ) .EQ. BLANK10 ) GOTO 45\n\nc IF ( TXT( :2 ) .EQ. BLANK2 ) GOTO 40 ! Another species\n\nCCCCCCC Specify emission amount? CCCCCCCCCCCCCCCCCCCCCCCCC\n\n IF ( TXT( :7 ) .EQ. ' AMOUNT' ) THEN\n ! The 25th slot is a flag indicating amount has been specified\n DO SPC = 1, NSPCSD\n IAMOUNT ( NPSEN, SPC, 25 ) = 1.0 * IPARM( NPSEN, SPC )\n END DO\n\n IF ( IPT( NPSEN ) .NE. 3 ) THEN\n XMSG = 'Amount specification only implemented ' //\n & 'for emissions so far.'\n CALL M3EXIT( PNAME,STDATE,STTIME,XMSG,XSTAT1 )\n END IF\n\n IF ( S_NSTREAMS( NPSEN ) .NE. 99 ) THEN\n XMSG = 'Amount can only be specified for total emissions.'\n CALL M3EXIT( PNAME,STDATE,STTIME,XMSG,XSTAT1 )\n END IF\n\n DO S = 1, NSPC( NPSEN )\n SPC = SPCORDER( NPSEN, S )\n READ( JVUNIT, '( a2, f8.2 )', END = 999 )\n & TXT, AMOUNT\n\n IF ( TXT( :2 ) .NE. BLANK2 ) THEN\n XMSG = 'Expected two blanks before specifying amount.'\n CALL M3EXIT( PNAME,STDATE,STTIME,XMSG,XSTAT1 )\n END IF\n\n IF ( AMOUNT .GE. 0 ) THEN\n IAMOUNT( NPSEN, SPC, 1:24 ) = AMOUNT\n ELSE\n DO HOUR = 1, 24\n READ( JVUNIT, '( a2, f8.2 )', END = 999 )\n & TXT, AMOUNT\n IF ( TXT( :2 ) .NE. BLANK2 ) THEN\n XMSG = 'Expected two blanks before specifying amount.'\n CALL M3EXIT( PNAME,STDATE,STTIME,XMSG,XSTAT1 )\n END IF\n IF ( AMOUNT .LT. 0 ) THEN\n XMSG = 'Amount must be non-negative.'\n CALL M3EXIT( PNAME,STDATE,STTIME,XMSG,XSTAT1 )\n ELSE\n IAMOUNT( NPSEN, SPC, HOUR ) = AMOUNT\n END IF\n END DO\n END IF\n\n END DO ! S\n\n 48 CONTINUE\n\n READ( JVUNIT, '(A80)', END = 999 ) TXT\n\n IF ( TXT( :10 ) .EQ. BLANK10 ) GOTO 48\n\n ! Which layer?\n IF ( TXT( :7 ) .EQ. ' LAYER' ) THEN\n READ( JVUNIT, '( a3, i3 )', END = 999 )\n & TXT, LAYER\n IF ( TXT( :3 ) .NE. BLANK3 ) THEN\n XMSG = 'Expected three blanks before layer number.'\n CALL M3EXIT( PNAME,STDATE,STTIME,XMSG,XSTAT1 )\n END IF\n IF ( ( LAYER .LT. 1 ) .OR. ( LAYER .GT. NLAYS ) ) THEN\n XMSG = 'Layer out of range.'\n CALL M3EXIT( PNAME,STDATE,STTIME,XMSG,XSTAT1 )\n ELSE\n ! Set the layer to 1, all others to 0\n ILAYER( NPSEN, 1:NLAYS ) = 0\n ILAYER( NPSEN, LAYER ) = 1\n ENDIF\n 49 CONTINUE\n READ( JVUNIT, '(A80)', END = 999 ) TXT\n IF ( TXT( :10 ) .EQ. BLANK10 ) GOTO 49\n ELSE\n ! If layer not specified, assume ground-level emissions\n ILAYER( NPSEN, 1 ) = 1\n ILAYER( NPSEN, 2:NLAYS ) = 0\n END IF\n\n END IF\n\nCCCCCCC What date(s)? CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC\n\n 50 CONTINUE\n\n IF ( TXT( :5 ) .EQ. ' DATE' ) THEN\n IF ( IPT( NPSEN ) .EQ. 1 ) THEN\n XMSG = 'Cannot specify date for initial condition.'\n CALL M3EXIT( PNAME,STDATE,STTIME,XMSG,XSTAT1 )\n END IF\n\n READ( JVUNIT, '( a2, i7 )', END = 999 )\n & TXT, NUMDATES\n\n IF ( TXT( :2 ) .NE. BLANK2 ) THEN\n XMSG = 'Expected two blanks before specifying date.'\n CALL M3EXIT( PNAME,STDATE,STTIME,XMSG,XSTAT1 )\n END IF\n IF ( ( NUMDATES .LT. 1 ) .OR.\n & ( NUMDATES .GT. NDAYS ) ) THEN\n XMSG = 'Number of dates out of bounds.'\n CALL M3EXIT( PNAME,STDATE,STTIME,XMSG,XSTAT1 )\n END IF\n\n LASTDATE = STDATE + NDAYS\n\n DO NDATE = 1, NUMDATES\n READ( JVUNIT, '( a2, i7 )', END = 999 ) TXT, DATE\n IF ( ( DATE .LT. STDATE ) .OR.\n & ( DATE .GT. LASTDATE ) ) THEN\n XMSG = 'Date out of bounds.'\n CALL M3EXIT( PNAME,STDATE,STTIME,XMSG,XSTAT1 )\n ELSE\n IDATE( NPSEN, 1 + DATE - STDATE ) = 1\n END IF\n END DO\n\n 52 CONTINUE\n\n READ( JVUNIT, '(A80)', END = 999 ) TXT\n\n IF ( TXT( :10) .EQ. BLANK10 ) GOTO 52\n\n ELSE\n ! If DATES keyword not specified, set all to 1\n IDATE( NPSEN, 1:NDAYS ) = 1\n ENDIF\n\nCCCCCCC What time? CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC\n\n IF ( TXT( :5 ) .EQ. ' TIME' ) THEN\n IF ( IPT( NPSEN ) .EQ. 1 ) THEN\n XMSG = 'Cannot specify time for initial condition.'\n CALL M3EXIT( PNAME,STDATE,STTIME,XMSG,XSTAT1 )\n END IF\n\n READ( JVUNIT, '(a2,i6,a1,i6)', END = 999 )\n & TXT, TIME1, JUNK, TIME2\n\n IF ( TXT( :2 ) .NE. BLANK2 ) THEN\n XMSG = 'Expected two blanks before specifying time.'\n CALL M3EXIT( PNAME,STDATE,STTIME,XMSG,XSTAT1 )\n END IF\n IF ( JUNK .NE. BLANK ) THEN\n XMSG = 'Expected a space between begin time & end time.'\n CALL M3EXIT( PNAME,STDATE,STTIME,XMSG,XSTAT1 )\n END IF\n IF ( ( TIME1 .LT. 0 ) .OR. ( TIME1 .GT. 240000 ) ) THEN\n XMSG = 'Begin time must be between 0 and 240000.'\n CALL M3EXIT( PNAME,STDATE,STTIME,XMSG,XSTAT1 )\n END IF\n IF ( ( TIME2 .LT. 0 ) .OR. ( TIME2 .GT. 240000 ) ) THEN\n XMSG = 'End time must be between 0 and 240000.'\n CALL M3EXIT( PNAME,STDATE,STTIME,XMSG,XSTAT1 )\n END IF\n\n ITIME( NPSEN, 1 ) = TIME1\n ITIME( NPSEN, 2 ) = TIME2\n\n 55 CONTINUE\n\n READ( JVUNIT, '(A80)', END = 999 ) TXT\n\n IF ( TXT( :10) .EQ. BLANK10 ) GOTO 55\n\n END IF\n\nCCCCCCC Which region(s) ? CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC\n ! If true, then region and gridcell not specified, \n ! so set as domainwide and go to next sensitivity\n IF ( TXT( :1 ) .NE. BLANK ) THEN\n S_NRGN( NPSEN ) = 99\n S_RGNLBL( NPSEN, : ) = 'all'\n IREGION( :,:,:,NPSEN ) = 1.0\n IF ( TXT( :3 ) .EQ. 'END' ) THEN\n GOTO 999\n ELSE\n ! New sensitivity\n GOTO 20 \n END IF\n END IF\n\n IF ( INDEX( TXT, 'REGION' ) .NE. 0 ) THEN\n READ( JVUNIT, '(A80)' ) TXT\n S_NRGN( NPSEN ) = 1+COUNT(TRANSFER(TXT, 'A', LEN(TXT)) == \",\" )\n READ(TXT,*) S_RGNLBL( NPSEN, 1:S_NRGN( NPSEN ) )\n ! Process these regions in central_io_module after the regions\n ! file is opened. Populate IREGION there also.\n END IF ! TXT .EQ. REGION\n\nCCCCCCC End REGION CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC\n\n 150 CONTINUE\n READ( JVUNIT, '(A80)' ) TXT\n IF ( TXT( :10 ) .EQ. BLANK10 ) GOTO 150\n IF ( TXT( 1:3 ) .EQ. 'END' ) THEN\n GOTO 999\n ELSE IF ( TXT( :1 ) .NE. BLANK ) THEN\n GOTO 20\n ELSE\n XMSG = 'Text not recognized. Expecting ' //\n & 'END, a new sensitivity name, ' //\n & 'or a blank line.'\n CALL M3EXIT( PNAME,STDATE,STTIME,XMSG,XSTAT1 )\n END IF\n\n 999 CONTINUE\n\n ! Sens parameter input file must contain exact number\n ! of sensitivity parameters indicated by NPMAX in runscript.\n IF ( NPSEN .NE. NPMAX ) THEN\n XMSG = 'Wrong number of sens specified. Does not match NPMAX.'\n CALL M3EXIT( PNAME, STDATE, STTIME, XMSG, XSTAT1 )\n END IF\n\n\n\n\n Write(LOGDEV,*) \" \"\n Write(LOGDEV,*) \"Sensitivity parameters in this simulation:\"\n Write(LOGDEV,*) \"=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=\"\n Write(LOGDEV,'(a2,1x,a4,1x,a4,1x,a10)') \"#\",\"name\",\"type\"\n Do NP = 1, NPMAX\n Write(LOGDEV,'(i2,1x,a4,1x,i4.4,9(1x,i2.2))') NP,SEN_PAR(NP),IPT(NP)\n End Do\n Write(LOGDEV,*) \" \"\n\nc Calculate 2nd order mapping\n\n IHIGH = 0\n If ( HIGH ) then\n\n Do NP = 1, NPMAX\n If ( IPT(NP) .Eq. 4 ) Then\n Do ROW = 1, NP - 1\n If ( IPARM(NP,ROW) .eq. 1 ) Then\n IHIGH(NP,1) = ROW\n Else If ( IPARM(NP,ROW) .eq. 2 ) Then\n IHIGH(NP,2) = ROW\n Else If ( IPARM(NP,ROW) .eq. 3 ) Then\n IHIGH(NP,1) = ROW\n IHIGH(NP,2) = ROW\n End If\n End Do\n If ( IHIGH(NP,1) .Eq. 0 .Or. IHIGH(NP,2) .Eq. 0 ) Then\n XMSG = 'Required 1st order parameters not found'\n & // ' for parameter = > ' // SEN_PAR(NP)\n CALL M3EXIT( 'sinput', 0 , 0, XMSG, XSTAT2 )\n End If\n End If\n End Do\nc Else\nc XMSG = 'DDM-3D HIGH option not enabled - check runscript'\nc CALL M3EXIT ( 'sinput', 0, 0, XMSG, XSTAT2 )\n End If\n\n RETURN\n END\n\nCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC\n\n SUBROUTINE SEN_NUM(TEMP, NUM )\n\nC------------------------------------------------------------\nC Function: Assigns to NUM the species number corresponding\nC to the input string \"TEMP\"\nC------------------------------------------------------------ \n USE CGRID_SPCS\n USE UTILIO_DEFN\n\n IMPLICIT NONE \n\n INCLUDE SUBST_FILES_ID ! file name parameters\n\n CHARACTER*8 TEMP\n CHARACTER*16 TEMP2\n INTEGER NUM, ISP\n\n CHARACTER*16 PNAME\n DATA PNAME / 'SEN_NUM' /\n SAVE PNAME\n CHARACTER*120 XMSG\n DATA XMSG / ' ' /\nC\n NUM = 0\n DO 10 ISP = 1, N_GC_SPC\n TEMP2 = GC_SPC(ISP)\n IF(TEMP .EQ. TEMP2(:8))THEN\n NUM = ISP\n RETURN\n ENDIF\n 10 CONTINUE\n DO 20 ISP = 1, N_AE_SPC\n TEMP2 = AE_SPC( ISP )\n IF ( TEMP .EQ. TEMP2(:8)) THEN\n NUM = N_GC_SPC + 1 + ISP\n RETURN\n ENDIF\n 20 CONTINUE\n DO 30 ISP = 1, N_NR_SPC\n TEMP2 = NR_SPC( ISP )\n IF ( TEMP .EQ. TEMP2(:8)) THEN\n NUM = N_GC_SPC + 1 + N_AE_SPC + ISP\n RETURN\n ENDIF\n 30 CONTINUE\n\n IF(NUM .EQ. 0) THEN\n XMSG = 'Sensitivity parameter ' // TEMP //\n & 'not found in species name array'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n ENDIF\n\n RETURN\n END\n\nCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC\n\n SUBROUTINE REAC_NUM( TEMP, NUM )\n\nC------------------------------------------------------------\nC Function: Assigns to NUM the reaction number corresponding\nC to the input string \"TEMP\"\nC------------------------------------------------------------\n\n USE UTILIO_DEFN\n\n USE RXNS_DATA, Only: NRXNS, RXLABEL\n\n IMPLICIT NONE\n\n INCLUDE SUBST_FILES_ID ! file name parameters\n\n CHARACTER*16 TEMP\n CHARACTER*16 TEMP2\n INTEGER NUM, RXN\n\n CHARACTER*16 PNAME\n DATA PNAME / 'REAC_NUM' /\n SAVE PNAME\n CHARACTER*120 XMSG\n DATA XMSG / ' ' /\n\n NUM = 0\n DO RXN = 1, NRXNS\n TEMP2 = RXLABEL(RXN)\n IF(TEMP .EQ. TEMP2) THEN\n NUM = RXN\n RETURN\n ENDIF\n END DO\n\n IF(NUM .EQ. 0) THEN\n XMSG = 'Sensitivity parameter ' // TEMP //\n & 'not found in RXLABEL array'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n ENDIF\n\n RETURN\n END\n\n#endif\n" }, { "path": "CCTM/src/ddm3d/wr_asens.F", "content": "#ifdef sens\n\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/CCTM/src/driver/yamo/wr_aconc.F,v 1.6 2011/10/21 16:10:43 yoj Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE WR_ASENS ( JDATE, JTIME, TSTEP )\n\nC Revision History:\nC Jeff - July 01\nC Note: If previous A_CONC exists, check that user hasn't changed what\nC species/layers to save (or domain).\nC 30 Mar 01 J.Young: dyn alloc - Use HGRD_DEFN\nC 31 Jan 05 J.Young: dyn alloc - establish both horizontal & vertical\nC domain specifications in one module\nC 16 Feb 11 S.Roselle: replaced I/O API include files with UTILIO_DEFN;\nC removed deprecated TRIMLEN\nC 20 Jul 11 J.Young: added option for ending time timestamp\nC 12 Aug 15 D.Wong: Extracted section of code that deals with creating\nC A_CONC_1 and put it in opaconc.F\nC Added a section of code to allow non IO processors\nC to open A_CONC_1\nC 19 May 16 D.Wong: renamed ACONC_END_TIME to AVG_FILE_ENDTIME\nC 27 Mar 17 D.Wong: removed redundant parallel_io ifdef construct\nC 26 Nov 19 S.Napelenok: create from WR_ACONC.F for cmaq-ddm3d-v5.3.1\nC-----------------------------------------------------------------------\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE AVG_CONC ! integral average CONC\n USE UTILIO_DEFN\n#ifdef parallel\n USE SE_MODULES ! stenex (using SE_UTIL_MODULE)\n#else\n USE NOOP_MODULES ! stenex (using NOOP_UTIL_MODULE)\n#endif\n\n USE DDM3D_DEFN, ONLY: NP, NPMAX, SPCNAME, SEN_PAR, SAGRID\n\n IMPLICIT NONE\n\nC Include Files:\n\n INCLUDE SUBST_FILES_ID ! file name parameters\n\n INTEGER JDATE ! current model date, coded YYYYDDD\n INTEGER JTIME ! current model time, coded HHMMSS\n INTEGER TSTEP ! output timestep (HHMMSS)\n\nC Local variables:\n\n INTEGER MDATE ! modified model date, coded YYYYDDD\n INTEGER MTIME ! modified model time, coded HHMMSS\n\n CHARACTER( 16 ) :: PNAME = 'WR_ASENS'\n CHARACTER( 16 ) :: AVG_FILE_ENDTIME = 'AVG_FILE_ENDTIME'\n CHARACTER( 80 ) :: VARDESC = ' '\n CHARACTER( 96 ) :: XMSG = ' '\n\nc INTEGER, SAVE :: LOGDEV ! FORTRAN unit number for log file\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n LOGICAL OK\nc LOGICAL, SAVE :: END_TIME = .FALSE.\n\n INTEGER L, K, VAR, SPC ! loop counters\n INTEGER STATUS\n\n CHARACTER( 16 ), ALLOCATABLE, SAVE :: VARNAME_ASENS( :,: )\n INTEGER, SAVE :: N_ASENS_SPC\n\n Integer ALLOCSTAT, IDX\n\n\nC-----------------------------------------------------------------------\n\nC Change output date/time to starting date/time - e.g. timestamp 1995196:090000\nC represents data computed from time 1995196:090000 to 1995196:100000\n\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n LOGDEV = INIT3 ()\n\nC Override default beginning time timestamp for ACONC?\n VARDESC = 'Flag to Override default beginning time timestamp for ACONC'\n END_TIME = ENVYN( AVG_FILE_ENDTIME, VARDESC, END_TIME, STATUS )\n IF ( STATUS .EQ. 1 ) THEN\n XMSG = 'Environment variable improperly formatted'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n ELSE IF ( STATUS .NE. 0 ) THEN\n WRITE( LOGDEV, '(5X, A)' ) VARDESC\n XMSG = '... Using default:'\n WRITE( LOGDEV, '(5X, A, I9)' ) XMSG, JTIME\n END IF\n\n IF ( .NOT. IO_PE_INCLUSIVE ) THEN\n IF ( .NOT. OPEN3( A_SENS_1, FSREAD3, PNAME ) ) THEN\n XMSG = 'Could not open ' // A_SENS_1 // ' file for update'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END IF\n\nc Create a species name list of ASENS file\n N_ASENS_SPC = N_A_GC_SPC + N_A_AE_SPC + N_A_NR_SPC + N_A_TR_SPC\n\n ALLOCATE( VARNAME_ASENS( NPMAX, N_ASENS_SPC ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating VARNAME_ASENS(NPMAX,N_ASENS_SPC)'\n CALL M3EXIT ( 'PNAME', 0, 0, XMSG, XSTAT2 )\n END IF\n VARNAME_ASENS = ''\n\n DO NP = 1, NPMAX\n\n DO SPC = 1, N_A_GC_SPC\n IDX = SPC\n VARNAME_ASENS( NP, IDX ) = TRIM( A_GC_SPC( SPC )( 1:12 ) )\n & // '_' // SEN_PAR( NP )\n END DO\n\n DO SPC = 1, N_A_AE_SPC\n IDX = SPC + N_A_GC_SPC\n VARNAME_ASENS( NP, IDX ) = TRIM( A_AE_SPC( SPC )( 1:12 ) )\n & // '_' // SEN_PAR( NP )\n END DO\n\n DO SPC = 1, N_A_NR_SPC\n IDX = SPC + N_A_GC_SPC + N_A_AE_SPC\n VARNAME_ASENS( NP, IDX ) = TRIM( A_NR_SPC( SPC )( 1:12 ) )\n & // '_' // SEN_PAR( NP )\n END DO\n\n DO SPC = 1, N_A_TR_SPC\n IDX = SPC + N_A_GC_SPC + N_A_AE_SPC + N_A_NR_SPC\n VARNAME_ASENS( NP, IDX ) = TRIM( A_TR_SPC( SPC )( 1:12 ) )\n & // '_' // SEN_PAR( NP )\n END DO\n\n END DO\n\n END IF ! FIRSTIME\n\n\n IF ( END_TIME ) THEN ! ending time timestamp\n MDATE = JDATE; MTIME = JTIME\n ELSE ! beginning time timestamp\n MDATE = JDATE; MTIME = JTIME\n CALL NEXTIME ( MDATE, MTIME, -TSTEP )\n END IF\n\n DO SPC = 1, N_ASENS_SPC\n DO NP = 1, NPMAX\n IF ( .NOT. WRITE3( A_SENS_1, VARNAME_ASENS( NP, SPC ),\n & MDATE, MTIME, SAGRID( :,:,:,NP,SPC ) ) ) THEN\n XMSG = 'Could not write '// VARNAME_ASENS( NP, SPC ) \n & // ' to ' // A_SENS_1\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n END DO\n END DO\n\n WRITE( LOGDEV, '( /5X, 3( A, :, 1X ), I8, \":\", I6.6 )' )\n & 'Timestep written to', A_SENS_1,\n & 'for date and time', MDATE, MTIME\n\n RETURN \n END\n\n\n#endif\n" }, { "path": "CCTM/src/ddm3d/wr_sengrid.F", "content": "#ifdef sens\nC***********************************************************************\nC Portions of Models-3/CMAQ software were developed or based on *\nC information from various groups: Federal Government employees, *\nC contractors working on a United States Government contract, and *\nC non-Federal sources (including research institutions). These *\nC research institutions have given the Government permission to *\nC use, prepare derivative works, and distribute copies of their *\nC work in Models-3/CMAQ to the public and to permit others to do *\nC so. EPA therefore grants similar permissions for use of the *\nC Models-3/CMAQ software, but users are requested to provide copies *\nC of derivative works to the Government without restrictions as to *\nC use by others. Users are responsible for acquiring their own *\nC copies of commercial software associated with Models-3/CMAQ and *\nC for complying with vendor requirements. Software copyrights by *\nC the MCNC Environmental Modeling Center are used with their *\nC permissions subject to the above restrictions. *\nC***********************************************************************\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/work/rep/CCTM/src/driver/yamo_ddm3d/wr_sengrid.F,v 1.1 2009/09/29 13:53:40 sjr Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n\n SUBROUTINE WR_SENGRID ( JDATE, JTIME, TSTEP )\n\nC-----------------------------------------------------------------------\nC Function:\nC Save the instantaneous state of SENGRID in an I/O-API \"circular buffer\"\nC file to use for restart/continuation for subsequent simulation. \n\nC Revision History:\nC Aug 08 S.L.Napelenok: initial (based on WR_CGRID)\nC 09 Nov 12 S.L.Napelenok: update for cmaq 5.0.1\nC 14 Oct 15 S.L.Napelenok: update for cmaq 5.1\nC-----------------------------------------------------------------------\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE CGRID_SPCS ! CGRID species number and offsets\n USE UTILIO_DEFN\n\n#ifdef parallel\n USE SE_MODULES ! stenex (using SE_UTIL_MODULE)\n#else\n USE NOOP_MODULES ! stenex (using NOOP_UTIL_MODULE)\n#endif\n\n USE DDM3D_DEFN\n\n IMPLICIT NONE\n\nC Include Files:\n\n INCLUDE SUBST_FILES_ID ! file name parameters\n\n INTEGER JDATE ! current model date, coded YYYYDDD\n INTEGER JTIME ! current model time, coded HHMMSS\n INTEGER TSTEP ! output timestep (HHMMSS)\n\nC Local variables:\n\n CHARACTER( 16 ) :: PNAME = 'WR_SENGRID'\n CHARACTER( 96 ) :: XMSG = ' '\n\n INTEGER K, MXK, SPC, VAR\n INTEGER ALLOCSTAT\n\n INTEGER TSTEP_RF, NTHIK_RF, NCOLS_RF, NROWS_RF, GDTYP_RF\n REAL( 8 ) :: P_ALP_RF, P_BET_RF, P_GAM_RF\n REAL( 8 ) :: XCENT_RF, YCENT_RF\n REAL( 8 ) :: XORIG_RF, YORIG_RF\n REAL( 8 ) :: XCELL_RF, YCELL_RF\n INTEGER VGTYP_RF \n REAL VGTOP_RF\n\nc INTEGER, SAVE :: LOGDEV ! FORTRAN unit number for log file\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n LOGICAL OK\n\nc CHARACTER( 8 ) :: SPCNAME\n\n REAL, POINTER :: WRBUFF(:,:,:,:)\n INTEGER :: c, r, s, d, i\n\n LOGICAL, EXTERNAL :: FLUSH3\n\nC-----------------------------------------------------------------------\n\n IF ( FIRSTIME ) THEN\n\n FIRSTIME = .FALSE.\n LOGDEV = INIT3 ()\n\n ALLOCATE ( WRBUFF( NCOLS,NROWS,NLAYS,NSPCSD*NPMAX ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'WRBUFF memory allocation failed'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\nC Try to open existing file for update\n\n CALL SUBST_BARRIER\n OK = OPEN3( CTM_SENS_1, FSRDWR3, PNAME )\n CALL SUBST_GLOBAL_LOGICAL( OK, 'AND' )\n IF ( .NOT. OK ) THEN\n\n XMSG = 'Could not open ' // TRIM( CTM_SENS_1 )\n & // ' file for update - try to open new'\n CALL M3MESG( XMSG )\n\nc IF ( MYPE .EQ. 0 ) THEN\n IF ( IO_PE_INCLUSIVE ) THEN\n\nC Get default file header attibutes from CONC file (assumes file already open)\n\n IF ( .NOT. DESC3( CTM_CONC_1 ) ) THEN\n XMSG = 'Could not get '\n & // TRIM( CTM_CONC_1 )\n & // ' file description'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n SDATE3D = JDATE\n STIME3D = JTIME\n\nC Get SENGRID nvars\n\n NVARS3D = NSPCSD * NPMAX\n NLAYS3D = NLAYS\n\nC Set file header attributes that differ from ASENS and open the file\n\n FDESC3D = ' '\n FDESC3D( 1 ) = 'Computational grid instantaneous sensitivities'\n FDESC3D( 2 ) = '- for scenario continuation.'\n\n WRITE( LOGDEV,* ) ' '\n WRITE( LOGDEV,* ) ' State SENGRID File Header Description:'\n DO K = 1, 2\n WRITE( LOGDEV,* ) ' => ',\n & TRIM( FDESC3D( K ) )\n END DO\n\nC Create the names of the sensitivity outputs\n\nC Gas species\n\n VAR = 0\n\n DO SPC = 1, N_GC_SPC\n SPCNAME = GC_SPC( SPC )( 1:12 )\n DO NP = 1, NPMAX\n VAR = VAR + 1\n VTYPE3D( VAR ) = M3REAL\n VNAME3D( VAR ) = TRIM(SPCNAME) // '_' // SEN_PAR( NP )\n UNITS3D( VAR ) = 'ppmV'\n VDESC3D( VAR ) = 'Sens of ' // SPCNAME // ' to ' // SEN_PAR( NP )\n END DO\n END DO\n\nC RHOJ - should be zero\n\n SPCNAME = 'RHOJ'\n DO NP = 1, NPMAX\n VAR = VAR + 1\n VTYPE3D( VAR ) = M3REAL\n VNAME3D( VAR ) = TRIM(SPCNAME) // '_' // SEN_PAR( NP )\n UNITS3D( VAR ) = 'm*Kg/m**3'\n VDESC3D( VAR ) = 'Sens of ' // SPCNAME // ' to ' // SEN_PAR( NP )\n END DO\n\nC Aerosol species\n\n DO SPC = 1, N_AE_SPC\n SPCNAME = AE_SPC( SPC )( 1:12 )\n DO NP = 1, NPMAX\n VAR = VAR + 1\n VTYPE3D( VAR ) = M3REAL\n VNAME3D( VAR ) = TRIM(SPCNAME) // '_' // SEN_PAR( NP )\n IF ( VNAME3D( VAR )(1:3) .EQ. 'NUM' ) THEN\n UNITS3D( VAR ) = 'number/m**3'\n ELSE IF ( VNAME3D( VAR )(1:3) .EQ. 'SRF' ) THEN\n UNITS3D( VAR ) = 'm**2/m**3'\n ELSE\n UNITS3D( VAR ) = 'micrograms/m**3'\n END IF\n VDESC3D( VAR ) = 'Sens of ' // SPCNAME // ' to ' // SEN_PAR( NP )\n END DO\n END DO\n\nC NR species\n\n DO SPC = 1, N_NR_SPC\n SPCNAME = NR_SPC( SPC )( 1:12 )\n DO NP = 1, NPMAX\n VAR = VAR + 1\n VTYPE3D( VAR ) = M3REAL\n VNAME3D( VAR ) = TRIM(SPCNAME) // '_' // SEN_PAR( NP )\n UNITS3D( VAR ) = 'ppmV'\n VDESC3D( VAR ) = 'Sens of ' // SPCNAME // ' to ' // SEN_PAR( NP )\n END DO\n END DO\n\nc TR species\n\n DO SPC = 1, N_TR_SPC\n SPCNAME = TR_SPC( SPC )( 1:12 )\n DO NP = 1, NPMAX\n VAR = VAR + 1\n VTYPE3D( VAR ) = M3REAL\n VNAME3D( VAR ) = TRIM(SPCNAME) // '_' // SEN_PAR( NP )\n UNITS3D( VAR ) = 'ppmV'\n VDESC3D( VAR ) = 'Sens of ' // SPCNAME // ' to ' // SEN_PAR( NP )\n END DO\n END DO\n\nc open the file\n\n IF ( .NOT. OPEN3( CTM_SENS_1, FSNEW3, PNAME ) ) THEN\n XMSG = 'Could not open '\n & // TRIM( CTM_SENS_1 ) // ' file'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n END IF ! MYPE = 0\n\n ELSE\n\nC File exists. Check header data with CONC file as reference. Currently only\nC proc 0 has CTM_CONC_1 open\n\nc IF ( MYPE .EQ. 0 ) THEN\n IF ( IO_PE_INCLUSIVE ) THEN\n\n IF ( .NOT. DESC3( CTM_CONC_1 ) ) THEN\n XMSG = 'Could not get '\n & // TRIM( CTM_CONC_1 )\n & // ' file description'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n TSTEP_RF = TSTEP3D\n NTHIK_RF = NTHIK3D\n NCOLS_RF = NCOLS3D\n NROWS_RF = NROWS3D\n GDTYP_RF = GDTYP3D\n P_ALP_RF = P_ALP3D\n P_BET_RF = P_BET3D\n P_GAM_RF = P_GAM3D\n XCENT_RF = XCENT3D\n YCENT_RF = YCENT3D\n XORIG_RF = XORIG3D\n YORIG_RF = YORIG3D\n XCELL_RF = XCELL3D\n YCELL_RF = YCELL3D\n VGTYP_RF = VGTYP3D\n VGTOP_RF = VGTOP3D\n\n IF ( .NOT. DESC3( CTM_SENS_1 ) ) THEN\n XMSG = 'Could not get '\n & // TRIM( CTM_SENS_1 )\n & // ' file description'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n IF ( TSTEP_RF .NE. ABS( TSTEP3D ) .OR.\n & NTHIK_RF .NE. NTHIK3D .OR.\n & NCOLS_RF .NE. NCOLS3D .OR.\n & NROWS_RF .NE. NROWS3D .OR.\n & GDTYP_RF .NE. GDTYP3D ) THEN\n XMSG = 'Header inconsistent on existing CTM_SENS_1'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n IF ( P_ALP_RF .NE. P_ALP3D .OR.\n & P_BET_RF .NE. P_BET3D .OR.\n & P_GAM_RF .NE. P_GAM3D ) THEN\n XMSG = 'Header inconsistent on existing CTM_SENS_1'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n IF ( XCENT_RF .NE. XCENT3D .OR.\n & YCENT_RF .NE. YCENT3D ) THEN\n XMSG = 'Header inconsistent on existing CTM_SENS_1'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n IF ( XORIG_RF .NE. XORIG3D .OR.\n & YORIG_RF .NE. YORIG3D ) THEN\n XMSG = 'Header inconsistent on existing CTM_SENS_1'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n IF ( XCELL_RF .NE. XCELL3D .OR.\n & YCELL_RF .NE. YCELL3D ) THEN\n XMSG = 'Header inconsistent on existing CTM_SENS_1'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n IF ( VGTYP_RF .NE. VGTYP3D ) THEN\n XMSG = 'Header inconsistent on existing CTM_SENS_1'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n IF ( VGTOP_RF .NE. VGTOP3D ) THEN\n XMSG = 'Header inconsistent on existing CTM_SENS_1'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n\n END IF ! MYPE = 0\n\n END IF ! .NOT. OPEN CTM_SENS_1\n\nc CALL SUBST_BARRIER\n\n END IF ! FIRSTIME\n\n\n i = 0\n do s = 1, NSPCSD\n do d = 1, NPMAX\n i = i + 1\n do k = 1, NLAYS\n do r = 1, NROWS\n do c = 1, NCOLS\n WRBUFF(c,r,k,i) = SENGRID(c,r,k,d,s)\n end do\n end do\n end do\n end do\n end do\n\n#ifdef parallel_io\n IF ( IO_PE_INCLUSIVE ) THEN\n IF ( .NOT. FLUSH3 ( CTM_SENS_1 ) ) THEN\n XMSG = 'Could not flush ' // TRIM(CTM_SENS_1)\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END IF\n CALL SE_BARRIER\n IF ( .NOT. IO_PE_INCLUSIVE ) THEN\n IF ( .NOT. OPEN3( CTM_SENS_1, FSNONIO, PNAME ) ) THEN\n XMSG = 'Could not open ' // TRIM(CTM_SENS_1)\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END IF\n\n IF ( .NOT. WRITE3( CTM_SENS_1, ALLVAR3, JDATE, JTIME, WRBUFF ) ) THEN\n XMSG = 'Could not write CTM_SENS_1'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n#else\n\n#ifdef parallel\n IF ( .NOT. PTRWRITE3( CTM_SENS_1, ALLVAR3, JDATE, JTIME, WRBUFF ) ) THEN\n XMSG = 'Could not write SENGRID'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n#else\n IF ( .NOT. WRITE3( CTM_SENS_1, ALLVAR3, JDATE, JTIME, WRBUFF ) ) THEN\n XMSG = 'Could not write SENGRID'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n#endif\n\n#endif\n\n WRITE( LOGDEV, '( /5X, 3( A, :, 1X ), I8, \":\", I6.6 )' )\n & 'Timestep written to', CTM_SENS_1,\n & 'for date and time', JDATE, JTIME\n\n\n\n\n RETURN\n END\n\n#endif\n" }, { "path": "CCTM/src/depv/m3dry/ABFLUX_MOD.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n!:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n Module ABFlux_Mod\n\n! Contains the shared variables and subroutines needed for the bidirectional \n! NH3 flux model in CMAQ\n!\n! INIT_ABFLUX - Intitializes the NH3 flux routines, allocates arrays, reads in\n! intial soil NH3 & H concentrations, and fertilizer application\n! amounts and timing for the model run\n! \n! Revision History: J. Bash Dec 08 10: Created\n! J. Bash May 11 11: Updated for CMAQ 5.0\n! J.Young Oct 26 11: KIND=16->KIND=8 for Portland Group compiler (pgi)\n! IsNaN function \" \" \" \"\n! (This Module must be compiled w/ -Kieee if pgi)\n! J. Bash Jan 31 12: New daily EPIC output now includes soil NH3 from \n! mineralization of organic and no longer includes \n! the monthly fertilizer totals. The initialization \n! of soil NH3 was rewritten to reflect this.\n! J. Bash Apr 19 12: Set bounds on the soil moisture from the met. model\n! to be between saturation and residual soil moisture\n! to avoid errors in the soil resistance from rounding\n! errors. Corrected a units conversion error in the \n! coupling of the soil NH4 to the atmospheric NH3.\n! This will maintain a better mass balance and have\n! a small impact on the model results ~ 1% of the\n! ambient NH3 concentrations.\n! J. Bash Apr 19 12: The apoplast compensation point for agricultural land use \n! is now a function of the soil ammonium concentration \n! following Massad et al. 2010 doi:10.5194/acp-10-10359-2010\n! J. Bash Aug 29 12: The subroutine was modified to utilize new EPIC output that \n! estimates the ammonium content of fertilizer applied to the \n! 1cm and 5cm soil layers. \n! D. Schwede Sept 12 12: Added code for NLCD40 land use classification\n! J. Bash Apr 4 13: Brought in new water, agriculture and snow land use \n! classification in LSM_MOD to simplify the case structures\nC J. Bash: Nov 7 14: Modified for the restructuring of vidff.\n! J. Pleim Dec 2016: Revised bidi using gamma from EPIC every day with no mosaic\n! J. Pleim April 2018: Estimate available NH3 frac according to EPIC\n! D. Wong Feb. 1 19: Implemented centralized I/O approach, removed all MY_N\n! clauses, and created a new module depv_data_module \n! (model_data_module.F) to hold some of information\n! originally stored here to avoid cyclic dependence\nC-------------------------------------------------------------------------------\n\n Implicit None\n! shared variables\n\n Real, Save, Allocatable :: fcec1 ( :,: ) ! Volatility function of CEC from EPIC (Williams 1995) in L1\n Real, Save, Allocatable :: fcec2 ( :,: ) ! Volatility function of CEC from EPIC (Williams 1995) in L2\n \n Real, Save, Private :: C_gam ! Canadian fertilizer facter \n Real, Parameter, Private :: maxgam = 1.0e6 ! removed 200000 limit since I can't find any justification\n Real, Parameter, Private :: natgam = 20.0 ! Background soil gamma\n \n Contains \n Subroutine Init_ABFlux( jdate, jtime)\n \n Use HGRD_DEFN ! horizontal grid specifications\n Use UTILIO_DEFN \n Use Bidi_Mod, Only: gamma1, gamma2, MHp1, MHp2\n Use depv_data_module\n Use, intrinsic :: ieee_arithmetic, only: isnan => ieee_is_nan\n\n Implicit None \n! Includes\n Include SUBST_CONST ! constants\n Include SUBST_FILES_ID ! file name parameters\n\n! Local Variables\n\n Integer, Intent( In ) :: jdate\n Integer, Intent( In ) :: jtime \n Integer :: c,r,l,k\n Integer :: gxoff, gyoff ! global origin offset from file\n integer :: strtcol, endcol, strtrow, endrow\n integer :: strtcol_medi, endcol_medi, strtrow_medi, endrow_medi\n integer :: strtcol_fert, endcol_fert, strtrow_fert, endrow_fert\n integer :: strtcol_beld, endcol_beld, strtrow_beld, endrow_beld\n \n Real :: Tot_Ag ! total ag in the grid cell \n Real, Parameter :: conv = 7.142857e-06 ! ha/m**2 * mol/g N \n Real :: pHfac1\n Real :: pHfac2\n Real, Parameter :: d1 = 0.01 ! Top soil layer depth (1 cm); Assume constant for all grid cells\n Real wres1, wres2\n Real tcec1, tcec2\n\n Character( 16 ), Parameter :: pname = 'Init_ABFlux' \n Character( 16 ) :: vname\n Character( 96 ) :: xmsg = ' '\n \n! Find the Canadian fertilizer factor based off of Sheppard et al 2010 Canadian J. Soil Sci. & \n! Zhang et al. 2010 JGR \n Select Case( jdate )\n Case( 60:90 )\n C_gam = 811.5\n Case( 91:120 )\n C_gam = 3447.3\n Case( 121:151 )\n C_gam = 8702.8\n Case( 152:181 )\n C_gam = 1269.3\n Case( 182:212 )\n C_gam = 667.1\n Case( 213:243 )\n C_gam = 704.2\n Case( 244:273 )\n C_gam = 811.5\n Case( 274:304 )\n C_gam = 1376.7\n Case( 305:334 )\n C_gam = 1079.6\n Case Default\n C_gam = 630.0\n End Select \n \n Beld_ag = 0.01 * Beld_ag ! convert to fraction\n\n! Allocate variable needed soil processes \n If ( .Not. Allocated ( gamma1 ) ) Then\n Allocate ( gamma1 ( ncols,nrows ) )\n End If\n gamma1 = 0.0\n If ( .Not. Allocated ( gamma2 ) ) Then\n Allocate ( gamma2 ( ncols,nrows ) )\n End If\n gamma2 = 0.0\n If ( .Not. Allocated ( MHp1 ) ) Then\n Allocate ( MHp1 ( ncols,nrows ) )\n End If \n MHp1 = 0.0\n If ( .Not. Allocated ( MHp2 ) ) Then\n Allocate ( MHp2 ( ncols,nrows ) )\n End If\n MHp2 = 0.0\n If ( .Not. Allocated ( fcec1 ) ) Then\n Allocate ( fcec1 ( ncols,nrows ) )\n End If\n fcec1 = 0.0\n If ( .Not. Allocated ( fcec2 ) ) Then\n Allocate ( fcec2 ( ncols,nrows ) )\n End If\n fcec2 = 0.0\n\n ! parameters\n Do r = 1, nrows\n Do c = 1, ncols\n Tot_Ag = 0.0 \n tcec1 = 0.0 \n tcec2 = 0.0\n Do l = 1, e2c_cats\n If( .Not. IsNaN( pHs1( c,r,l ) ) .And.\n & .Not. IsNaN( pHs2( c,r,l ) ) .And.\n & .Not. IsNaN( NH4ps1( c,r,l ) ) .And.\n & .Not. IsNaN( NH4ps2( c,r,l ) ) .And.\n & Beld_ag( c,r,l ) .Gt. 0.0 ) Then\n If( pHs1( c,r,l ) .Gt. 0.0 ) Then\n pHfac1 = 10.0 ** (-pHs1( c,r,l ) )\n pHfac2 = 10.0 ** (-pHs2( c,r,l ) )\n Else\n pHfac1 = 1.0\n pHfac2 = 1.0\n End If\n! convert units from kg/ha N to mol/l\n If ( pHs1( c,r,l ) .Gt. 4.0 .And.\n & pHs2( c,r,l ) .Gt. 4.0 .And.\n & pHs1( c,r,l ) .Lt. 9.0 .And.\n & pHs2( c,r,l ) .Lt. 9.0 .And.\n & NH4ps1( c,r,l ) .Gt. 0.0 .And.\n & NH4ps2( c,r,l ) .Gt. 0.0 ) Then\n \n wep1(c,r,l) = min (wep1(c,r,l),d1*1000.*por1(c,r,l)) ! don't let SM exceed saturation \n wep2(c,r,l) = min (wep2(c,r,l),dep2(c,r,l)*1000.*por2(c,r,l)) \n wres1 = 0.0065757 + 0.24909 * wp1(c,r,l) \n wres2 = 0.0065757 + 0.24909 * wp2(c,r,l) \n wep1(c,r,l) = max (wep1(c,r,l),d1*1000.*wres1) ! don't let SM below Wres \n wep2(c,r,l) = max (wep2(c,r,l),dep2(c,r,l)*1000.*wres2) \n Tot_Ag = Tot_Ag + Beld_ag( c,r,l ) \n gamma1( c,r ) = gamma1( c,r ) + conv * NH4ps1( c,r,l )\n & * 1000.0 / (wep1(c,r,l) * pHfac1) * Beld_ag( c,r,l )\n MHp1( c,r ) = MHp1( c,r ) + Beld_ag( c,r,l ) * pHfac1\n gamma2( c,r ) = gamma2( c,r ) + conv * NH4ps2( c,r,l )\n & * 1000.0 / (wep2(c,r,l) * pHfac2) * Beld_ag( c,r,l )\n MHp2( c,r ) = MHp2( c,r ) + Beld_ag( c,r,l ) * pHfac2\n tcec1 = tcec1 + Beld_ag( c,r,l ) * cec1(c,r,l)\n tcec2 = tcec2 + Beld_ag( c,r,l ) * cec2(c,r,l)\n End If\n End If\n End Do ! e2c_cats\n If ( Tot_Ag .ge. 1.0e-6 ) then\n If ( MHp1( c,r ) / Tot_Ag .Gt. 1.0e-9 .And.\n & MHp1( c,r ) / Tot_Ag .Lt. 1.0e-4 .And.\n & MHp2( c,r ) / Tot_Ag .Gt. 1.0e-9 .And.\n & MHp2( c,r ) / Tot_Ag .Lt. 1.0e-4 ) Then\n! get the agricultrual only relevant number\n MHp1( c,r ) = MHp1( c,r ) / Tot_Ag\n MHp2( c,r ) = MHp2( c,r ) / Tot_Ag\n gamma1( c,r ) = gamma1( c,r ) / Tot_Ag\n gamma2( c,r ) = gamma2( c,r ) / Tot_Ag\n! Set a minimum Gamma for Ag based off of Zhang et al. 2010\n! gamma1( c,r ) = max( gamma1( c,r ), 630.0 )\n! gamma2( c,r ) = max( gamma2( c,r ), 630.0 )\n! NaN trap for debugging\n! If ( IsNaN( gamma1( c,r ) ) .Or. IsNaN( gamma2( c,r ) ) .Or.\n! & IsNaN( MHp2( c,r ) ) .Or. IsNaN( MHp2( c,r ) ) ) Then\n! xmsg = 'NaN in grid cell Gamma Calculation'\n! Call M3exit( pname, jdate, jtime, xmsg, xstat1 )\n! End If\n tcec1 = tcec1 / Tot_Ag\n tcec2 = tcec2 / Tot_Ag\n fcec1(c,r) = max(0.3, 1.0-0.038*tcec1) ! from EPIC (Wiliams 1995)\n fcec2(c,r) = max(0.3, 1.0-0.038*tcec2)\n! if(r.eq.18.and.c.eq.27) then\n! Write(Logdev,*) ' Bidi-Epic soil data'\n! Write(Logdev,*) gamma1(c,r),gamma2(c,r),fcec1(c,r),tcec1\n! Endif\n Else\n MHp1( c,r ) = 0.0\n MHp2( c,r ) = 0.0\n gamma1( c,r ) = 0.0\n gamma2( c,r ) = 0.0\n Endif\n Else\n MHp1( c,r ) = 0.0\n MHp2( c,r ) = 0.0\n gamma1( c,r ) = 0.0\n gamma2( c,r ) = 0.0\n End If\n End Do ! c\n End Do ! r\n \n Return\n!------------------------------------------------------------------------------\n! Error handling section\n!------------------------------------------------------------------------------\n1001 Continue\n Call M3exit( pname, jdate, jtime, xmsg, xstat1 )\n\nC-------------------------------------------------------------------------------\nC Format statements.\nC-------------------------------------------------------------------------------\n\n9001 Format( 'Failure reading ', a, 1x, 'from ', a )\n\n Return\n \n End Subroutine Init_ABFlux\n \n!------------------------------------------------------------------------------\n! Subroutine to get the soil and canopy compensation point\n!------------------------------------------------------------------------------ \n\n Subroutine Get_Flux( cNH3, rwetsfc, rgw, r, c, l, pvd, lnh3,\n & rb,rinc,rstom, delta,rgnd,femis,fdep)\n \n Use UTILIO_DEFN\n Use Bidi_Mod, Only: gamma1, gamma2, MHp1, MHp2\n Use ASX_DATA_MOD\n Use LSM_MOD\n \n Implicit None\n \n Include SUBST_FILES_ID ! file name parameters\n\n Real, Intent( IN ) :: cNH3\n Real, Intent( IN ) :: rwetsfc \n Real, Intent( IN ) :: rgw\n Real, Intent( IN ) :: rb\n Real, Intent( IN ) :: rinc\n Real, Intent( IN ) :: rstom\n Real, Intent( IN ) :: delta\n Real, Intent( IN ) :: rgnd\n\n Integer, Intent( IN ) :: r\n Integer, Intent( IN ) :: c\n Integer, Intent( IN ) :: l ! species index\n \n Real, Intent( OUT ) :: pvd\n Real, Intent( OUT ) :: lnh3\n Real, Intent( OUT ) :: femis\n Real, Intent( OUT ) :: fdep\n \n Real( 8 ) :: aq ! Quadradic equation variable\n Real( 8 ) :: bq ! Quadradic equation variable\n Real :: cnh3c ! In canopy NH3 concentration [ppm]\n Real :: cnh3g1, cnh3g2, cnh3g ! NH3 compensation concentration for ground [ppm]\n Real :: cnh3s ! NH3 compensation concentration for stomatal [ppm]\n Real :: cnh3g1j, cnh3g2j, cnh3sj\n Real( 8 ) :: cq ! Quadradic equation variable\n Real :: del0 ! for Rbg\n Real( 8 ) :: ga ! Ga = 1/Ra [m/s]\n Real :: gammas ! [NH4+]/[H+]\n Real( 8 ) :: gcw\n Real( 8 ) :: gg1 !( n_lufrac ) ! Gg = 1/(Rgnd(nh3)+Rinc) [m/s] \n Real( 8 ) :: gsb ! Gsb = 1/(Rstom(nh3)+Rb(nh3)) [m/s]\n Real( 8 ) :: gt\n Real( 8 ) :: qq ! intermediate variable\n Real :: rbg !j( n_lufrac )\n! Real, Parameter :: rwm = 35.0 ! Minimum NH3 cuticle resistance [s/m]\n Real, Parameter :: rwm = 20.0 ! Minimum NH3 cuticle resistance [s/m]\n Real :: rwmb ! Rwmb = Rwm + Rb\n Real :: rwx ! Rw = Rwm + Rwx * CNH3C [s/m]\n Real :: scn ! for Rbg\n Real :: ustg ! for Rbg\n Real :: vdg ! Vd(nh3) to non-veg part [m/s]\n Real :: w5cm ! soil moisture in top 5 cm (vol frc)\n Real, Parameter :: d1 = 0.01 ! Top soil layer depth (1 cm)\n Real, Parameter :: twothree = 2.0/3.0\n Real, Parameter :: onethree = 1.0/3.0\n Real, Parameter :: MolN = 14.007 ! g/mol N\n! Real, Parameter :: MolNH3 = 17.01 ! g/mol NH3\n Real( 8 ) :: ldry\n Real( 8 ) :: dp\n Real( 8 ) :: rsoil1\n Real( 8 ) :: rsoil2\n Real( 8 ) :: a1\n Real :: agfrac\n Real( 8 ) :: ddd\n Real :: watfrac ! water fraction\n Integer :: k,j\n Real :: canfrac\n Real :: frac_sol1 ! Fraction of NHx in solution layer 1\n Real :: frac_sol2 ! Fraction of NHx in solution layer 2\n Real :: cnh3cdep\n Real :: cnh3cemis, rcut, gwd\n\n canfrac = 0.5 !exp(-1.) \n\n!> Compute quasi-laminar boundary layer resistance at the soil surface\n\n scn = kvis / dif0( l )\n ustg = max( MET_DATA%USTAR( c,r ) * EXP( -MET_DATA%LAI( c,r ) ), 0.001 ) \n del0 = 1.0E-4 * kvis / ( karman * ustg )\n rbg = ( scn - LOG( 10.0 * del0 ) ) / ( karman * ustg )\n\n\n!-- Compute soil resitance using soil moitsure in soil layer 1 (1 cm) from WRF\n ldry= d1 * ( Exp( ( 1.0 - MET_DATA%SOIM1( c,r ) / GRID_DATA%WSAT( c,r ) ) ** 5 ) - 1.0 ) / 1.718\n \n dp = dif0( l ) * 1.0E-4 * GRID_DATA%WSAT( c,r )**2\n & * ( 1.0 - GRID_DATA%WRES(c,r) / GRID_DATA%WSAT(c,r) ) ** ( 2.0 + 3.0 / GRID_DATA%BSLP(c,r) )\n \n rsoil1 = ldry / dp\n \n w5cm = 0.2 * MET_DATA%SOIM1( c,r ) + 0.8 * MET_DATA%SOIM2( c,r )\n w5cm = Min( w5cm, GRID_DATA%WSAT( c,r ) )\n w5cm = Max( w5cm, GRID_DATA%WRES( c,r ) )\n \n\n\n agfrac = 0.0\n watfrac = 0.0\n pvd = 0.0\n lnh3 = 0.0\n\n!> If the soil is frozen assume not evasive flux and skip calculation of comp. points \n If ( MET_DATA%Tempg( c,r ) .Le. 273.15 ) Then\n cnh3s = 0.0\n cnh3g = 0.0\n Go To 101\n End If\n\n!> Compute compensation point. gamma is specified according to the amount of \n!> cultivated vegetation \n \n a1 = 161512.0d0 / real( MET_DATA%tempg( c,r ), 8 )\n & * 10.0d0 ** ( -4507.11d0 / real( MET_DATA%tempg( c,r ), 8 ) )\n a1 = a1 * 17.0d9 ! microgram/m3 24.5d0 * 1.0d6 ! ppm \n \n!> Set a maximum [NH4]/[H+] ratio at 200,000 based on output from the AIM aerosol\n!> model any [NH4] in excess of this ratio is assumed to partition into the solid\n!> phase. Canada soil gamma taken from Zhang et al 2010 JGR Table 5\n\n cnh3g1 = 0.0\n cnh3g2 = 0.0\n cnh3s = 0.0\n!---- removed division of gamma by soil moisture -- jep 12/16\n Do j = 1, n_lufrac\n If ( GRID_DATA%LUFRAC( c,r,j ) .Gt. 0.0 ) Then\n cnh3sj = a1 * luf_fac( j )\n Select Case( cat_lu( j ) )\n Case( 'WATER' ) ! water\n cnh3g1j = 0.0\n cnh3g2j = 0.0\n cnh3sj =0.0\n watfrac = watfrac + GRID_DATA%LUFRAC( c,r,j )\n Case( 'SNOWICE' ) ! ice or snow\n cnh3g1j = 0.0\n cnh3g2j = 0.0\n cnh3sj =0.0\n!---- Gamma soil \n Case( 'AG','AGMOS' ) ! Ag\n if (fcec1(c,r).gt. 0.299 ) Then \n frac_sol1= fcec1(c,r) \n frac_sol2= fcec2(c,r)\n else\n frac_sol1= 0.55\n frac_sol2= 0.55\n endif\n \n if( cat_lu( j ).eq.'AG' ) then ! Ag\n cnh3g1j = Min( Max( frac_sol1*gamma1( c,r ), C_gam / MET_DATA%SOIM1( c,r ) ),\n & maxgam)\n\n cnh3g2j = Min( Max( frac_sol2*gamma2( c,r ), C_gam / w5cm), \n & maxgam )\n agfrac = agfrac + GRID_DATA%LUFRAC( c,r,j )\n else ! Ag mosaic 67% ag 33% mosaic \n cnh3g1j = Min( Max( frac_sol1*gamma1( c,r ), C_gam / MET_DATA%SOIM1( c,r ))\n & * twothree + onethree * natgam , maxgam )\n cnh3g2j = Min( Max( frac_sol2*gamma2( c,r ), C_gam / w5cm )\n & * twothree + onethree * natgam , maxgam )\n agfrac = agfrac + twothree * GRID_DATA%LUFRAC( c,r,j )\n endif\n\n Case Default ! not ag\n cnh3g1j = Min( natgam , maxgam )\n cnh3g2j = Min( natgam , maxgam )\n End Select\n cnh3g1 = cnh3g1 + GRID_DATA%LUFRAC( c,r,j ) * cnh3g1j \n cnh3g2 = cnh3g2 + GRID_DATA%LUFRAC( c,r,j ) * cnh3g2j\n cnh3s = cnh3s + GRID_DATA%LUFRAC( c,r,j ) * cnh3sj\n End If\n End Do\n cnh3g1 = a1 * Max( cnh3g1, 0.01 ) / (1.0 - watfrac) ! Land only (microgram/m3)\n cnh3g2 = a1 * Max( cnh3g2, 0.01 ) / (1.0 - watfrac) ! Land only (microgram/m3)\n cnh3g = Max (cnh3g1, cnh3g2) ! use greater of layer concs\n cnh3s = cnh3s / (1.0 - watfrac) ! Land only (microgram/m3)\n! if(agfrac.GT.0.5.and.gamma1( c,r ).gt.50000.) then\n! write(logdev,*) ' frac_sol1',frac_sol1,' cnh3g1',cnh3g1,' gamma1',gamma1( c,r )\n! write(logdev,*) ' c,r=',c,r,' gamma2',gamma2( c,r )\n! endif\n101 Continue\n\n!> Cuticle resistance : rw = rwx * cnh3c + rwm\n If ( MET_DATA%LAI( c,r ) .Gt. 0.0 ) Then\n\n rwx = rwetsfc \n rwmb = rwm + rwx + (100.0-max(MET_DATA%RH2( c,r ),60.0) + Rb) * MET_DATA%LAI( c,r ) ! from Pleim et al 2013 JGR\n ga = 1.0 / ( MET_DATA%RA( c,r ) + canfrac * rinc ) !\n gsb = 1.0 / ( rstom + rb )\n gg1 = 1.0 / ( rbg + (1.-canfrac) * rinc + rsoil1 )\n gcw = 1.0 / ( rb + rwetsfc/MET_DATA%LAI( c,r ) )\n gt = gsb + gg1 + ga + delta * gcw ! single soil layer\n qq = ga * cnh3 + gsb * cnh3s + gg1 * cnh3g \n aq = rwx * gt\n bq = rwmb * gt + MET_DATA%LAI( c,r ) * ( 1.0 - delta ) - rwx * qq\n cq = -rwmb * qq\n! Microg/m3\n cnh3c = (-bq + sqrt( bq**2 - 4.0d0 * aq * cq))/(2.0d0 * aq) ! this should always yield non-negative result\n \n! if the compensation point less than zero reset it to zero\n cnh3c = max( cnh3c, 0.0 ) \n!-- Compute deposition part assuming cnh3g and cnh3s = 0\n qq = ga * cnh3\n bq = rwmb * gt + MET_DATA%LAI( c,r ) * ( 1.0 - delta ) - rwx * qq\n cq = -rwmb * qq\n cnh3cdep = (-bq + sqrt( bq**2 - 4.0d0 * aq * cq))/(2.0d0 * aq) \n\n!-- compute emission component using cnh3c from bidi flux for Rcut\n! rcut = rwm + rwx*(cnh3c+1.) + (100.0-max(MET_DATA%RH( c,r ),60.0) + Rb) * MET_DATA%LAI( c,r )\n rcut = rwmb + rwx* cnh3c\n gwd = ( 1.0 - delta )* MET_DATA%LAI( c,r )/rcut\n cnh3cemis = (gsb * cnh3s + gg1 * cnh3g)/( gt + gwd)\n else\n cnh3c = 0.0\n cnh3cemis = 0.0\n\n End If ! lai > 0.0\n\n ddd = ( 1.0 - delta ) / rgnd\n & + delta / rgw\n\n vdg = 1.0 / ( MET_DATA%RA( c,r ) + rb + 1.0 / ddd )\n\n pvd = cnh3c * ga * MET_DATA%VEG( c,r ) ! microg/m2/s\n lnh3 = vdg + MET_DATA%VEG( c,r ) * ( ga - vdg )\n femis = ga*(cnh3cemis)*MET_DATA%VEG( c,r ) \n fdep = lnh3*cnh3 - ga*cnh3cdep*MET_DATA%VEG( c,r ) \n\n! if(r.eq.18.and.c.eq.27) then\n! Write(Logdev,*) ' Bidi-Epic conc'\n! Write(Logdev,*) cnh3g1,cnh3g2,cnh3g,cnh3s,cnh3c,cnh3\n! Write(Logdev,*) agfrac,rsoil1,MET_DATA%VEG( c,r ),ga,rbg\n! Endif\n \n\n Return \n End Subroutine Get_Flux\n\n End Module ABFlux_Mod\n" }, { "path": "CCTM/src/depv/m3dry/BIDI_MOD.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nc:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n Module Bidi_Mod\n\nC Contains the shared variables and subrountes needed for the bidirectional \nC NH3 flux model in CMAQ\nC\nC OPASX_MEDIA - Opens the output file for NH4+ and H+ in the soil water solution\nC \nC Revision History: J. Bash Mar 15 11: Created\nC J. Bash May 11 11: Updated for CMAQ 5.0\nC D. Wong 1 Feb 19: removed MY_N clauses\n USE RUNTIME_VARS\n\n\n Implicit None\n! Private variables\n Integer, Parameter, Private :: NHx_AQ_CONC = 4\n Integer, Parameter, Private :: NHx_GAS_CONC = 0 \n Integer, Parameter, Private :: NHx_SOL_CONC = 0 \n Integer, Parameter, Private :: NHx_TOT = NHx_AQ_CONC + NHx_GAS_CONC + NHx_SOL_CONC \n Integer, Parameter, Private :: HG_AQ_CONC = 3\n Integer, Parameter, Private :: HG_GAS_CONC = 1 \n Integer, Parameter, Private :: HG_SOL_CONC = 2 \n \n Integer, Save, Private :: N_Hg\n Character( 96 ), Private :: XMSG = ' '\n! shared variables\n Character( 16 ), Save , Allocatable :: MEDIA_NAMES( : )\n Character( 16 ), Save , Allocatable :: MEDIA_UNITS( : )\n Character( 80 ), Save , Allocatable :: MEDIA_DESCR( : )\n\n Integer, Parameter :: HG_TOT = HG_AQ_CONC + HG_GAS_CONC + HG_SOL_CONC \n Integer, Save :: N_TOT\n Real, Save, Allocatable :: gamma1 ( :,: ) ! soil NH4/H\n Real, Save, Allocatable :: gamma2 ( :,: ) ! soil NH4/H\n Real, Save, Allocatable :: MHp1 ( :,: ) ! molar H+\n Real, Save, Allocatable :: MHp2 ( :,: ) ! molar H+ \n Real, Save, Allocatable :: CMEDIA ( :,:,: ) ! surface layer concs \n Logical, Save :: INIT_LAI \n Logical, Save :: INIT_ATX \n Logical, Save :: INIT_ASX \n\n\n Contains \n Subroutine INIT_BIDI( )\n Use GRID_CONF\n Use CGRID_SPCS ! CGRID mechanism species\n Use UTILIO_DEFN\n#ifdef mpas\n Use util_module, only : index1\n#endif\n\n Implicit None\n \nC... Local:\n \n Character( 16 ) :: PNAME = 'INIT_BIDI '\n Character( 80 ) :: VARDESC\n Integer :: STATUS\n Logical, SAVE :: INITIALIZED = .FALSE.\n \nC--------------------------------------------------------------------------\nC Prevent initializing the code twice \n If ( INITIALIZED ) Return \n\n INITIALIZED = .TRUE.\n\n ! Set Mercury BiDi Processing Flag equal to false if there is\n ! no mercury gas-phase species.\n If ( INDEX1( 'HG', N_GC_DDEP, GC_DDEP ) .EQ. 0 ) HGBIDI = .FALSE.\n\n ! Define Media Concentration Output Variables and Descriptions\n If ( ABFLUX .And. .Not. HGBIDI ) Then\n \n N_TOT = NHx_TOT\n N_Hg = 0 \n Allocate( MEDIA_NAMES( N_TOT ), MEDIA_UNITS( N_TOT ), MEDIA_DESCR( N_TOT ) )\n\n MEDIA_NAMES( 1 ) = 'Gamma1 '\n MEDIA_UNITS( 1 ) = ' '\n MEDIA_DESCR( 1 ) = 'NH4+/H+ in Soil layer 1'\n MEDIA_NAMES( 2 ) = 'Gamma2 '\n MEDIA_UNITS( 2 ) = ' '\n MEDIA_DESCR( 2 ) = 'NH4+/H+ in Soil layer 2'\n MEDIA_NAMES( 3 ) = 'MHpsl1 '\n MEDIA_UNITS( 3 ) = 'mol/l'\n MEDIA_DESCR( 3 ) = 'Molar H+ in Soil layer 1'\n MEDIA_NAMES( 4 ) = 'MHpsl2 '\n MEDIA_UNITS( 4 ) = 'mol/l'\n MEDIA_DESCR( 4 ) = 'Molar H+ in Soil layer 2'\n \n Else If ( .Not. ABFLUX .And. HGBIDI ) Then\n N_TOT = HG_TOT\n N_Hg = HG_TOT\n Allocate( MEDIA_NAMES( HG_TOT ), MEDIA_UNITS( N_TOT ), MEDIA_DESCR( N_TOT ) )\n\n MEDIA_NAMES( 1 ) = 'DGM ' ! Dissolved gaseous Hg\n MEDIA_UNITS( 1 ) = 'umol/mol' \n MEDIA_DESCR( 1 ) = 'Surface water dissolved Hg(0)'\n MEDIA_NAMES( 2 ) = 'DRM ' ! Dissolved reactive Hg\n MEDIA_UNITS( 2 ) = 'umol/mol' \n MEDIA_DESCR( 2 ) = 'Surface water dissolved Hg(II)'\n MEDIA_NAMES( 3 ) = 'HGSOIL '\n MEDIA_UNITS( 3 ) = 'umol/mol' \n MEDIA_DESCR( 3 ) = 'Soil water dissolved Hg(0)'\n MEDIA_NAMES( 4 ) = 'HGZ0 '\n MEDIA_UNITS( 4 ) = 'ppmV' \n MEDIA_DESCR( 4 ) = 'Hg(0) compensation point'\n MEDIA_NAMES( 5 ) = 'HGMES ' ! mesophyll Hg\n MEDIA_UNITS( 5 ) = 'umol/g' \n MEDIA_DESCR( 5 ) = 'Hg(0) bound to leaf mesophyll'\n MEDIA_NAMES( 6 ) = 'HGCUT ' ! cuticular Hg \n MEDIA_UNITS( 6 ) = 'umol/g' \n MEDIA_DESCR( 6 ) = 'Hg(0) bound to vegetation surfaces' \n \n Else If ( ABFLUX .And. HGBIDI ) Then\n N_TOT = HG_TOT + NHx_TOT\n N_Hg = HG_TOT\n Allocate( MEDIA_NAMES( N_TOT ), MEDIA_UNITS( N_TOT ), MEDIA_DESCR( N_TOT ) )\n\n MEDIA_NAMES( 1 ) = 'DGM ' ! Dissolved gaseous Hg\n MEDIA_UNITS( 1 ) = 'umol/mol' \n MEDIA_DESCR( 1 ) = 'Surface water dissolved Hg(0)'\n MEDIA_NAMES( 2 ) = 'DRM ' ! Dissolved reactive Hg\n MEDIA_UNITS( 2 ) = 'umol/mol' \n MEDIA_DESCR( 2 ) = 'Surface water dissolved Hg(II)'\n MEDIA_NAMES( 3 ) = 'HGSOIL '\n MEDIA_UNITS( 3 ) = 'umol/mol' \n MEDIA_DESCR( 3 ) = 'Soil water dissolved Hg(0)'\n MEDIA_NAMES( 4 ) = 'HGZ0 '\n MEDIA_UNITS( 4 ) = 'ppmV' \n MEDIA_DESCR( 4 ) = 'Hg(0) compensation point'\n MEDIA_NAMES( 5 ) = 'HGMES ' ! mesophyll Hg\n MEDIA_UNITS( 5 ) = 'umol/g' \n MEDIA_DESCR( 5 ) = 'Hg(0) bound to leaf mesophyll'\n MEDIA_NAMES( 6 ) = 'HGCUT ' ! cuticular Hg \n MEDIA_UNITS( 6 ) = 'umol/g' \n MEDIA_DESCR( 6 ) = 'Hg(0) bound to vegetation surfaces' \n MEDIA_NAMES( 7 ) = 'Gamma1 ' \n MEDIA_UNITS( 7 ) = ' ' \n MEDIA_DESCR( 7 ) = 'NH4+/H+ in Soil layer 1'\n MEDIA_NAMES( 8 ) = 'Gamma2 '\n MEDIA_UNITS( 8 ) = ' ' \n MEDIA_DESCR( 8 ) = 'NH4+/H+ in Soil layer 2'\n MEDIA_NAMES( 9 ) = 'MHpsl1'\n MEDIA_UNITS( 9 ) = 'mol/l' \n MEDIA_DESCR( 9 ) = 'Molar H+ in Soil layer 1'\n MEDIA_NAMES( 10 ) = 'MHpsl2 '\n MEDIA_UNITS( 10 ) = 'mol/l' \n MEDIA_DESCR( 10 ) = 'Molar H+ in Soil layer 2'\n \n End If\n \n ! allocate the media array variable\n If ( .Not. Allocated ( CMEDIA ) ) Then\n Allocate ( CMEDIA( NCOLS,NROWS,N_TOT ) )\n CMEDIA = 0.0\n End If \n \n Return\n \n End Subroutine INIT_BIDI\n!*****************************************************************************\n!************** Iput / output section of the module **************************\n!*****************************************************************************\n\n Subroutine OPASX_MEDIA( JDATE, JTIME, TSTEP )\n\n Use GRID_CONF\n Use CGRID_SPCS ! CGRID mechanism species\n Use UTILIO_DEFN\n\n Implicit None\n\n Include SUBST_FILES_ID ! file name parameters\n\n Integer, Intent( In ) :: JDATE\n Integer, Intent( In ) :: JTIME\n Integer, Intent( In ) :: TSTEP\n\n Character( 16 ) :: PNAME = 'OPASX_MEDIA '\n Character( 80 ) :: VARDESC\n Character( 96 ) :: MSG = ' '\n\n Integer N, V, L\n \nC--------------------------------------------------------------------------\n \n#ifndef mpas\n If ( ABFLUX .And. .Not. HGBIDI) Then\n\n If ( .Not. OPEN3( MEDIA_CONC, FSRDWR3, PNAME ) ) Then\n\n XMSG = 'Could not open ' // MEDIA_CONC // ' file for update - '\n & // 'try to open new'\n Call M3MESG( XMSG )\n\n FTYPE3D = GRDDED3\n SDATE3D = JDATE\n STIME3D = JTIME\n TSTEP3D = TSTEP\n Call NEXTIME( SDATE3D, STIME3D, TSTEP3D ) ! start the next hour\n\n NVARS3D = N_TOT\n NCOLS3D = GL_NCOLS\n NROWS3D = GL_NROWS\n NLAYS3D = 1\n NTHIK3D = 1\n GDTYP3D = GDTYP_GD\n P_ALP3D = P_ALP_GD\n P_BET3D = P_BET_GD\n P_GAM3D = P_GAM_GD\n XORIG3D = XORIG_GD\n YORIG3D = YORIG_GD\n XCENT3D = XCENT_GD\n YCENT3D = YCENT_GD\n XCELL3D = XCELL_GD\n YCELL3D = YCELL_GD\n VGTYP3D = VGTYP_GD\n VGTOP3D = VGTOP_GD\n Do L = 1, NLAYS3D + 1\n VGLVS3D( L ) = VGLVS_GD( L )\n End Do\n GDNAM3D = GRID_NAME ! from HGRD_DEFN\n\n FDESC3D = ' ' ! array\n\n FDESC3D( 1 ) = 'Multimedia concentration estimates from integrated ambient '\n & // 'NH3 concentrations and surface exchange algorithms'\n \n N = 0\n\n Do V = 1, NHx_AQ_CONC\n N = N + 1\n VTYPE3D( N ) = M3REAL\n VNAME3D( N ) = MEDIA_NAMES( N )\n UNITS3D( N ) = 'mol L-1'\n VDESC3D( N ) = 'aqueous phase concentration'\n End Do\n\n N = NHx_AQ_CONC\n\n Do V = 1, NHx_GAS_CONC\n N = N + 1\n VTYPE3D( N ) = M3REAL\n VNAME3D( N ) = MEDIA_NAMES( N )\n UNITS3D( N ) = 'ppmV g-1'\n VDESC3D( N ) = 'gas phase concentration'\n End Do\n\n N = NHx_AQ_CONC + NHx_GAS_CONC\n\n Do V = 1, NHx_SOL_CONC\n N = N + 1\n VTYPE3D( N ) = M3REAL\n VNAME3D( N ) = MEDIA_NAMES( N )\n UNITS3D( N ) = 'umol g-1'\n VDESC3D( N ) = 'Solid phase concentration'\n End Do \n End If\n \n Else If ( .Not. ABFLUX .And. HGBIDI ) Then \n \n If ( .Not. OPEN3( MEDIA_CONC, FSRDWR3, PNAME ) ) Then!\n\n XMSG = 'Could not open ' // MEDIA_CONC // ' file for update - '\n & // 'try to open new'\n Call M3MESG( XMSG )\n\n FTYPE3D = GRDDED3\n SDATE3D = JDATE\n STIME3D = JTIME\n TSTEP3D = TSTEP\n Call NEXTIME( SDATE3D, STIME3D, TSTEP3D ) ! start the next hour \n NVARS3D = N_TOT\n NCOLS3D = GL_NCOLS\n NROWS3D = GL_NROWS\n NLAYS3D = 1\n NTHIK3D = 1\n GDTYP3D = GDTYP_GD\n P_ALP3D = P_ALP_GD\n P_BET3D = P_BET_GD\n P_GAM3D = P_GAM_GD\n XORIG3D = XORIG_GD\n YORIG3D = YORIG_GD\n XCENT3D = XCENT_GD\n YCENT3D = YCENT_GD\n XCELL3D = XCELL_GD\n YCELL3D = YCELL_GD\n VGTYP3D = VGTYP_GD\n VGTOP3D = VGTOP_GD\n\n FDESC3D = ' ' ! array\n\n FDESC3D( 1 ) = 'Multimedia concentration estimates from integrated ambient '\n & // 'HG concentrations and surface exchange algorithms'\n\n NLAYS3D = 1\n\n N = 0\n\n Do V = 1, HG_AQ_CONC\n N = N + 1\n VTYPE3D( N ) = M3REAL\n VNAME3D( N ) = MEDIA_NAMES( N )\n UNITS3D( N ) = 'umol mol-1'\n VDESC3D( N ) = 'aqueous phase concentration'\n End Do\n\n N = HG_AQ_CONC\n\n Do V = 1, HG_GAS_CONC\n N = N + 1\n VTYPE3D( N ) = M3REAL\n VNAME3D( N ) = MEDIA_NAMES( N )\n UNITS3D( N ) = 'ppmV g'\n VDESC3D( N ) = 'gas phase concentration'\n End Do\n\n N = HG_AQ_CONC + HG_GAS_CONC\n\n Do V = 1, HG_SOL_CONC\n N = N + 1\n VTYPE3D( N ) = M3REAL\n VNAME3D( N ) = MEDIA_NAMES( N )\n UNITS3D( N ) = 'umol g-1'\n VDESC3D( N ) = 'Solid phase concentration'\n End Do\n End If\n \n Else If ( ABFLUX .And. HGBIDI ) Then \n \n If ( .Not. OPEN3( MEDIA_CONC, FSRDWR3, PNAME ) ) Then\n\n XMSG = 'Could not open ' // MEDIA_CONC // ' file for update - '\n & // 'try to open new'\n Call M3MESG( XMSG )\n\n FTYPE3D = GRDDED3\n SDATE3D = JDATE\n STIME3D = JTIME\n TSTEP3D = TSTEP\n Call NEXTIME( SDATE3D, STIME3D, TSTEP3D ) ! start the next hour \n NVARS3D = N_TOT\n NCOLS3D = GL_NCOLS\n NROWS3D = GL_NROWS\n NLAYS3D = 1\n NTHIK3D = 1\n GDTYP3D = GDTYP_GD\n P_ALP3D = P_ALP_GD\n P_BET3D = P_BET_GD\n P_GAM3D = P_GAM_GD\n XORIG3D = XORIG_GD\n YORIG3D = YORIG_GD\n XCENT3D = XCENT_GD\n YCENT3D = YCENT_GD\n XCELL3D = XCELL_GD\n YCELL3D = YCELL_GD\n VGTYP3D = VGTYP_GD\n VGTOP3D = VGTOP_GD\n\n FDESC3D = ' ' ! array\n\n FDESC3D( 1 ) = 'Multimedia concentration estimates from integrated ambient '\n & // 'NH3 and HG concentrations and surface exchange algorithms'\n\n NLAYS3D = 1\n\n N = 0\n\n Do V = 1, HG_AQ_CONC\n N = N + 1\n VTYPE3D( N ) = M3REAL\n VNAME3D( N ) = MEDIA_NAMES( N )\n UNITS3D( N ) = 'umol mol-1'\n VDESC3D( N ) = 'aqueous phase concentration'\n End Do\n\n N = HG_AQ_CONC\n\n Do V = 1, HG_GAS_CONC\n N = N + 1\n VTYPE3D( N ) = M3REAL\n VNAME3D( N ) = MEDIA_NAMES( N )\n UNITS3D( N ) = 'ppmV g'\n VDESC3D( N ) = 'gas phase concentration'\n End Do\n\n N = HG_AQ_CONC + HG_GAS_CONC\n\n Do V = 1, HG_SOL_CONC\n N = N + 1\n VTYPE3D( N ) = M3REAL\n VNAME3D( N ) = MEDIA_NAMES( N )\n UNITS3D( N ) = 'umol g-1'\n VDESC3D( N ) = 'Solid phase concentration'\n End Do\n \n N = HG_TOT\n\n Do V = 1, NHx_AQ_CONC\n N = N + 1\n VTYPE3D( N ) = M3REAL\n VNAME3D( N ) = MEDIA_NAMES( N )\n UNITS3D( N ) = 'mol L-1'\n VDESC3D( N ) = 'aqueous phase concentration'\n End Do\n\n N = HG_TOT + NHx_AQ_CONC\n\n Do V = 1, NHx_GAS_CONC\n N = N + 1\n VTYPE3D( N ) = M3REAL\n VNAME3D( N ) = MEDIA_NAMES( N )\n UNITS3D( N ) = 'ppmV g'\n VDESC3D( N ) = 'gas phase concentration'\n End Do\n\n N = HG_TOT + NHx_AQ_CONC + NHx_GAS_CONC\n\n Do V = 1, NHx_SOL_CONC\n N = N + 1\n VTYPE3D( N ) = M3REAL\n VNAME3D( N ) = MEDIA_NAMES( N )\n UNITS3D( N ) = 'umol g-1'\n VDESC3D( N ) = 'Solid phase concentration'\n End Do \n End If\n \n End If \n! Open file, then close it for subsequent open by all processors\n \n If ( .Not. OPEN3( MEDIA_CONC, FSNEW3, PNAME ) ) Then\n XMSG = 'Could not create '// TRIM( MEDIA_CONC) // ' file'\n Call M3EXIT( PNAME, SDATE3D, STIME3D, XMSG, XSTAT1 )\n End If \n\n#endif\n\n Return\n\n End Subroutine OPASX_MEDIA\n\n!****************************************************************************\n\n Subroutine WRASX_MEDIA( MDATE, MTIME )\n\n! Revision History.\n! Aug 12, 15 D. Wong: added code to handle parallel I/O implementation\n! Jan 16, 16 J. Young: update log file once per output; consistent tokens\n\n Use GRID_CONF ! horizontal grid specifications\n Use UTILIO_DEFN\n\n Implicit None\n\n Include SUBST_FILES_ID ! file name parameters\n\n Integer, Intent( In ) :: MDATE\n Integer, Intent( In ) :: MTIME\n\n Logical, Save :: FIRSTIME = .TRUE.\n\n Real WRMC( NCols,NRows ) ! media write buffer\n Integer V, R, C\n\n Character( 16 ) :: PNAME = 'WRASX_MEDIA '\n \n!***************************************************************************** \n If ( HGBIDI ) Then\n INIT_LAI = .FALSE. \n INIT_ATX = .FALSE. \n INIT_ASX = .FALSE.\n End If\n \n If ( ABFLUX ) Then\n Do R = 1, NRows\n Do C = 1, NCols\n CMedia( C,R,N_Hg+1 ) = Gamma1( C,R )\n CMedia( C,R,N_Hg+2 ) = Gamma2( C,R )\n CMedia( C,R,N_Hg+3 ) = MHp1( C,R )\n CMedia( C,R,N_Hg+4 ) = MHp2( C,R )\n End Do\n End Do\n End If\n\n#ifdef parallel_io\n If ( FIRSTIME ) Then\n FIRSTIME = .FALSE.\n If ( .Not. IO_PE_INCLUSIVE ) Then\n If ( .Not. OPEN3( MEDIA_CONC, FSREAD3, PNAME ) ) Then\n XMSG = 'Could not open ' // TRIM( MEDIA_CONC )\n Call M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n End If\n End If\n End If\n#endif\n \n Do V = 1, N_TOT ! species/media loop\n Do R = 1, NRows ! row loop\n Do C = 1,NCols ! column loop\n WRMC( C, R ) = CMEDIA( C,R,V )\n End Do\n End Do\n\n#ifndef mpas\n If ( .Not. WRITE3( MEDIA_CONC, MEDIA_NAMES( V ), MDATE, MTIME,\n & WRMC ) ) Then\n XMSG = 'Could not write ' // MEDIA_CONC // ' file'\n Call M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n End If\n#endif\n End Do \n\n Write( LOGDEV, '( /5X, A, I8, \":\", I6.6 )' )\n & 'Timestep written to \"' // TRIM( MEDIA_CONC ) //\n & '\" for date and time', MDATE, MTIME\n\n Return\n\n End Subroutine WRASX_MEDIA\n\n End Module Bidi_Mod \n" }, { "path": "CCTM/src/depv/m3dry/DEPVVARS.F", "content": "!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/CCTM/src/depv/m3dry/DEPVVARS.F,v 1.7 2012/01/19 14:21:45 yoj Exp $\n\nC::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n MODULE DEPVVARS\n\nC-----------------------------------------------------------------------\nC Name: Dry Deposition Variables\nC Purpose: Contains arrays specific to dry deposition species.\nC Initializes dry deposition arrays.\nC Revised: 19 Aug 2005 Original version. (T. Otte and W. Hutzell)\nC 25 Nov 2006 J.Young: combine\nC 30 Apr 2008 Removed references to RADMDRY. Added five air\nC toxic species to LTOTG. (T. Otte and W. Hutzell)\nC 16 Feb 2011 S.Roselle: replaced I/O API include files with\nC UTILIO_DEFN\nC 11 May 2011 J.Bash: Updated for NH3 bidirectional exchange\nC 04 Jan 2012 J.Young: Initialize char variables with blank padding\nC 28 Aug 2014 G. Sarwar: added deposition for CLNO2 \nC 07 Nov 14 J.Bash: Updated for the ASX_DATA_MOD shared data module. \nC 05 May 2015: H.Pye: Added ISOPNN and MTNO3 with Donna Schwede\nC 24 Aug 2015: H.Pye: Added IEPOX and HACET with Donna Schwede\nC 26 Jan 2016: H. Pye added info for SOA SVOCs\nC 24 Mar 2016: G. Sarwar: added iodine and bromine species\nC 26 Sep 2016: D. Wong: removed unnecessary use module statements\nC 29 Dec 2015: H.Pye: added new monoterpene SOA surrogates\nC 06 Aug 2018: M.Qin: added new lumped anthropogenic semivolatiles\nC 16 Aug 2018: G. Sarwar: added ClNO3 and FMBR, and updated INO3 and BRNO3 name changes\nC 21 Nov 2018: G. Sarwar: added several halogen species\nC 09 Jan 2021: G. Sarwar: removed CH3BR\nC-----------------------------------------------------------------------\n\n INTEGER, PARAMETER :: LDDEP = 4\n INTEGER, PARAMETER :: LTOTG = 265\n INTEGER, PARAMETER :: LCMP = 8\n CHARACTER( 16 ) :: DEPV_METHOD\n\nC-----------------------------------------------------------------------\nC General dry deposition arrays.\nC-----------------------------------------------------------------------\n\n INTEGER, SAVE :: N_USE_DEPSPC \n LOGICAL, SAVE :: USE_DEPSPC( LTOTG )\n CHARACTER( 16 ), SAVE :: DEPSPC( LTOTG )\n\nC----------------------------------------------------------------------\nC local deposition velocites [ m/s ]\nC----------------------------------------------------------------------\n\n CONTAINS\n\n FUNCTION DEPVVARS_INIT( ) RESULT ( SUCCESS )\n\n IMPLICIT NONE\n\n LOGICAL SUCCESS\n\n INTEGER ALLOCSTAT\n CHARACTER( 96 ) :: XMSG\n\n SUCCESS = .TRUE.\n\nC-------------------------------------------------------------------------------\nC For M3DRY, set up core species, and include toxic and chlorine compounds.\nC-------------------------------------------------------------------------------\n\n DEPV_METHOD = 'M3DRY '\n\n DEPSPC( 1 ) = 'SO2 '\n DEPSPC( 2 ) = 'SULF '\n DEPSPC( 3 ) = 'NO2 '\n DEPSPC( 4 ) = 'NO '\n DEPSPC( 5 ) = 'O3 '\n DEPSPC( 6 ) = 'HNO3 '\n DEPSPC( 7 ) = 'H2O2 '\n DEPSPC( 8 ) = 'ALD '\n DEPSPC( 9 ) = 'HCHO '\n DEPSPC( 10 ) = 'OP '\n DEPSPC( 11 ) = 'PAA '\n DEPSPC( 12 ) = 'ORA '\n DEPSPC( 13 ) = 'NH3 '\n DEPSPC( 14 ) = 'PAN '\n DEPSPC( 15 ) = 'HONO '\n DEPSPC( 16 ) = 'CO '\n DEPSPC( 17 ) = 'METHANOL '\n DEPSPC( 18 ) = 'N2O5 '\n DEPSPC( 19 ) = 'NO3 '\n DEPSPC( 20 ) = 'GEN_ALD '\n DEPSPC( 21 ) = 'CL2 '\n DEPSPC( 22 ) = 'HOCL '\n DEPSPC( 23 ) = 'HCL '\n DEPSPC( 24 ) = 'FMCL '\n DEPSPC( 25 ) = 'HG '\n DEPSPC( 26 ) = 'HGIIGAS '\n DEPSPC( 27 ) = 'TECDD_2378 '\n DEPSPC( 28 ) = 'PECDD_12378 '\n DEPSPC( 29 ) = 'HXCDD_123478 '\n DEPSPC( 30 ) = 'HXCDD_123678 '\n DEPSPC( 31 ) = 'HXCDD_123789 '\n DEPSPC( 32 ) = 'HPCDD_1234678 '\n DEPSPC( 33 ) = 'OTCDD '\n DEPSPC( 34 ) = 'TECDF_2378 '\n DEPSPC( 35 ) = 'PECDF_12378 '\n DEPSPC( 36 ) = 'PECDF_23478 '\n DEPSPC( 37 ) = 'HXCDF_123478 '\n DEPSPC( 38 ) = 'HXCDF_123678 '\n DEPSPC( 39 ) = 'HXCDF_234678 '\n DEPSPC( 40 ) = 'HXCDF_123789 '\n DEPSPC( 41 ) = 'HPCDF_1234678 '\n DEPSPC( 42 ) = 'HPCDF_1234789 '\n DEPSPC( 43 ) = 'OTCDF '\n DEPSPC( 44 ) = 'NAPHTHALENE '\n DEPSPC( 45 ) = '1NITRONAPHTHA '\n DEPSPC( 46 ) = '2NITRONAPHTHA '\n DEPSPC( 47 ) = '14NAPHTHOQUIN '\n DEPSPC( 48 ) = 'HEXMETH_DIIS '\n DEPSPC( 49 ) = 'HYDRAZINE '\n DEPSPC( 50 ) = 'MAL_ANHYDRIDE '\n DEPSPC( 51 ) = 'TOLUENE_DIIS '\n DEPSPC( 52 ) = 'TRIETHYLAMINE '\n DEPSPC( 53 ) = 'NTR '\n DEPSPC( 54 ) = 'NTRM '\n DEPSPC( 55 ) = 'MPAN '\n DEPSPC( 56 ) = 'PPN '\n DEPSPC( 57 ) = 'ISPD '\n DEPSPC( 58 ) = 'NTRDN '\n DEPSPC( 59 ) = 'NTRALK '\n DEPSPC( 60 ) = 'NTROH '\n DEPSPC( 61 ) = 'NTRPX '\n DEPSPC( 62 ) = 'PROPNN '\n DEPSPC( 63 ) = 'CLNO2 '\n DEPSPC( 64 ) = 'ISOPNN '\n DEPSPC( 65 ) = 'MTNO3 '\n DEPSPC( 66 ) = 'IEPOX '\n DEPSPC( 67 ) = 'HACET '\n DEPSPC( 68 ) = 'SVALK1 '\n DEPSPC( 69 ) = 'SVALK2 '\n DEPSPC( 70 ) = 'SVBNZ1 '\n DEPSPC( 71 ) = 'SVBNZ2 '\n DEPSPC( 72 ) = 'SVISO1 '\n DEPSPC( 73 ) = 'SVISO2 '\n DEPSPC( 74 ) = 'SVPAH1 '\n DEPSPC( 75 ) = 'SVPAH2 '\n DEPSPC( 76 ) = 'SVSQT '\n DEPSPC( 77 ) = 'SVTOL1 '\n DEPSPC( 78 ) = 'SVTOL2 '\n DEPSPC( 79 ) = 'SVTRP1 '\n DEPSPC( 80 ) = 'SVTRP2 '\n DEPSPC( 81 ) = 'SVXYL1 '\n DEPSPC( 82 ) = 'SVXYL2 '\n DEPSPC( 83 ) = 'IO '\n DEPSPC( 84 ) = 'OIO '\n DEPSPC( 85 ) = 'I2O2 '\n DEPSPC( 86 ) = 'I2O3 '\n DEPSPC( 87 ) = 'I2O4 '\n DEPSPC( 88 ) = 'HI '\n DEPSPC( 89 ) = 'HOI '\n DEPSPC( 90 ) = 'INO '\n DEPSPC( 91 ) = 'INO2 '\n DEPSPC( 92 ) = 'INO3 '\n DEPSPC( 93 ) = 'BRO '\n DEPSPC( 94 ) = 'HOBR '\n DEPSPC( 95 ) = 'HBR '\n DEPSPC( 96 ) = 'BRNO3 '\n DEPSPC( 97 ) = 'BRNO2 '\n DEPSPC( 98 ) = 'BRCL '\n DEPSPC( 99 ) = 'DMS '\n DEPSPC( 100) = 'MSA '\n DEPSPC( 101) = 'METHANE '\n DEPSPC( 102) = 'ACRYACID '\n DEPSPC( 103) = 'CARBSULFIDE '\n DEPSPC( 104) = 'ACETONITRILE '\n DEPSPC( 105) = 'METH_NIT_PHEN ' ! 6-methyl-2-nitrophenol aka 6-nitro-o-cresol\n DEPSPC( 106) = 'PCVOC '\n DEPSPC( 107) = 'INTR '\n DEPSPC( 108) = 'ISPX '\n DEPSPC( 109) = 'ROOH '\n DEPSPC( 110) = 'LVPCSOG '\n DEPSPC( 111) = 'VIVPO1 '\n DEPSPC( 112) = 'VLVOO1 '\n DEPSPC( 113) = 'VLVOO2 '\n DEPSPC( 114) = 'VLVPO1 '\n DEPSPC( 115) = 'VSVOO1 '\n DEPSPC( 116) = 'VSVOO2 '\n DEPSPC( 117) = 'VSVOO3 '\n DEPSPC( 118) = 'VSVPO1 '\n DEPSPC( 119) = 'VSVPO2 '\n DEPSPC( 120) = 'VSVPO3 '\n DEPSPC( 121) = 'FACD '\n DEPSPC( 122) = 'KET '\n DEPSPC( 123) = 'ETH '\n DEPSPC( 124) = 'PNA '\n DEPSPC( 125) = 'GLY '\n DEPSPC( 126) = 'GLYD '\n DEPSPC( 127) = 'MGLY '\n DEPSPC( 128) = 'ETHA '\n DEPSPC( 129) = 'ETOH '\n DEPSPC( 130) = 'PAR '\n DEPSPC( 131) = 'ACET '\n DEPSPC( 132) = 'PRPA '\n DEPSPC( 133) = 'ETHY '\n DEPSPC( 134) = 'OLE '\n DEPSPC( 135) = 'IOLE '\n DEPSPC( 136) = 'IEPOX '\n DEPSPC( 137) = 'BENZ '\n DEPSPC( 138) = 'CRES '\n DEPSPC( 139) = 'TOL '\n DEPSPC( 140) = 'XYLMN '\n DEPSPC( 141) = 'NAPH '\n DEPSPC( 142) = 'CAT1 '\n DEPSPC( 143) = 'SESQ '\n DEPSPC( 144) = 'TERP '\n DEPSPC( 145) = 'ISOP '\n DEPSPC( 146) = 'OPEN '\n DEPSPC( 147) = 'XOPN '\n DEPSPC( 148) = 'SOAALK '\n DEPSPC( 149) = 'BUTADIENE13 '\n DEPSPC( 150) = 'ACROLEIN '\n DEPSPC( 151) = 'SVMT1 '\n DEPSPC( 152) = 'SVMT2 '\n DEPSPC( 153) = 'SVMT3 '\n DEPSPC( 154) = 'SVMT4 '\n DEPSPC( 155) = 'SVMT5 '\n DEPSPC( 156) = 'SVMT6 '\n DEPSPC( 157) = 'SVMT7 '\n DEPSPC( 158) = 'SVAVB1 '\n DEPSPC( 159) = 'SVAVB2 '\n DEPSPC( 160) = 'SVAVB3 '\n DEPSPC( 161) = 'SVAVB4 '\n DEPSPC( 162) = 'CLNO3 '\n DEPSPC( 163) = 'FMBR '\n DEPSPC( 164) = 'I2 '\n DEPSPC( 165) = 'CH3I '\n DEPSPC( 166) = 'ICL '\n DEPSPC( 167) = 'IBR '\n DEPSPC( 168) = 'MI2 '\n DEPSPC( 169) = 'MIB '\n DEPSPC( 170) = 'MIC '\n DEPSPC( 171) = 'BR2 '\n DEPSPC( 172) = 'MB3 '\n DEPSPC( 173) = 'MB2 '\n DEPSPC( 174) = 'MB2C '\n DEPSPC( 175) = 'MBC2 '\n DEPSPC( 176) = 'MBC '\n DEPSPC( 177) = 'CLO '\n DEPSPC( 178) = 'ACD ' \n DEPSPC( 179) = 'ACE ' \n DEPSPC( 180) = 'ACRO ' \n DEPSPC( 181) = 'ACT ' \n DEPSPC( 182) = 'API ' \n DEPSPC( 183) = 'BALD ' \n DEPSPC( 184) = 'BDE13 ' \n DEPSPC( 185) = 'BEN ' \n DEPSPC( 186) = 'CSL ' \n DEPSPC( 187) = 'DCB1 ' \n DEPSPC( 188) = 'DCB2 ' \n DEPSPC( 189) = 'DCB3 ' \n DEPSPC( 190) = 'EOH ' \n DEPSPC( 191) = 'ETE ' \n DEPSPC( 192) = 'ETEG ' \n DEPSPC( 193) = 'FURAN ' \n DEPSPC( 194) = 'FURANONE ' \n DEPSPC( 195) = 'HC10 ' \n DEPSPC( 196) = 'HC3 ' \n DEPSPC( 197) = 'HC5 ' \n DEPSPC( 198) = 'HKET ' \n DEPSPC( 199) = 'ISHP ' \n DEPSPC( 200) = 'ISO ' \n DEPSPC( 201) = 'ISON ' \n DEPSPC( 202) = 'LIM ' \n DEPSPC( 203) = 'LIMAL ' \n DEPSPC( 204) = 'MACR ' \n DEPSPC( 205) = 'MAHP ' \n DEPSPC( 206) = 'MCT ' \n DEPSPC( 207) = 'MEK ' \n DEPSPC( 208) = 'MOH ' \n DEPSPC( 209) = 'MVK ' \n DEPSPC( 210) = 'NALD ' \n DEPSPC( 211) = 'OLI ' \n DEPSPC( 212) = 'OLT ' \n DEPSPC( 213) = 'ONIT ' \n DEPSPC( 214) = 'OP1 ' \n DEPSPC( 215) = 'OP2 ' \n DEPSPC( 216) = 'OPB ' \n DEPSPC( 217) = 'ORA1 ' \n DEPSPC( 218) = 'ORA2 ' \n DEPSPC( 219) = 'PHEN ' \n DEPSPC( 220) = 'PINAL ' \n DEPSPC( 221) = 'PROG ' \n DEPSPC( 222) = 'VROCIOXY ' \n DEPSPC( 223) = 'VROCP4ALK ' \n DEPSPC( 224) = 'VROCP4OXY2 ' \n DEPSPC( 225) = 'VROCP5ALK ' \n DEPSPC( 226) = 'VROCP5ARO ' \n DEPSPC( 227) = 'VROCP5OXY1 ' \n DEPSPC( 228) = 'VROCP6ALK ' \n DEPSPC( 229) = 'VROCP6ARO ' \n DEPSPC( 230) = 'VROCP6OXY1 ' \n DEPSPC( 231) = 'ROH ' \n DEPSPC( 232) = 'SLOWROC ' \n DEPSPC( 233) = 'TRPN ' \n DEPSPC( 234) = 'UALD ' \n DEPSPC( 235) = 'XYE ' \n DEPSPC( 236) = 'XYM ' \n DEPSPC( 237) = 'ELHOM ' \n DEPSPC( 238) = 'HOM ' \n DEPSPC( 239) = 'OP3 ' \n DEPSPC( 240) = 'VROCN1ALK ' \n DEPSPC( 241) = 'VROCN1OXY1 ' \n DEPSPC( 242) = 'VROCN1OXY3 ' \n DEPSPC( 243) = 'VROCN1OXY6 ' \n DEPSPC( 244) = 'VROCN2ALK ' \n DEPSPC( 245) = 'VROCN2OXY2 ' \n DEPSPC( 246) = 'VROCN2OXY4 ' \n DEPSPC( 247) = 'VROCN2OXY8 ' \n DEPSPC( 248) = 'VROCP0ALK ' \n DEPSPC( 249) = 'VROCP0OXY2 ' \n DEPSPC( 250) = 'VROCP0OXY4 ' \n DEPSPC( 251) = 'VROCP1ALK ' \n DEPSPC( 252) = 'VROCP1OXY1 ' \n DEPSPC( 253) = 'VROCP1OXY3 ' \n DEPSPC( 254) = 'VROCP2ALK ' \n DEPSPC( 255) = 'VROCP2OXY2 ' \n DEPSPC( 256) = 'VROCP3ALK ' \n DEPSPC( 257) = 'VROCP3OXY2 '\n DEPSPC( 258) = 'IPN '\n DEPSPC( 259) = 'IPC '\n DEPSPC( 260) = 'EBZ '\n DEPSPC( 261) = 'XYL '\n DEPSPC( 262) = 'STY '\n DEPSPC( 263) = 'IPX '\n DEPSPC( 264) = 'INALD '\n DEPSPC( 265) = 'HONIT '\n\n N_USE_DEPSPC = 0\n USE_DEPSPC = .FALSE. ! array\n\n RETURN\n\n END FUNCTION DEPVVARS_INIT\n\n END MODULE DEPVVARS\n" }, { "path": "CCTM/src/depv/m3dry/DEPV_DEFN.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n!:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n MODULE DEPV_DEFN\n\n!-----------------------------------------------------------------------\nC Function: deposition velocity interface to the chemistry-transport model\n\nC Revision History:\nC 24 Nov 2006 J.Young: initial implementation using Bill Hutzell's and\nC Tanya Otte's work\nC 29 Jan 2010 D. Wong: Eliminate potential race condition at the MYPE = 0\nC to open the diagnostic file. Eliminate the BARRIER\nC and the CLOSE3 and OPEN3.\nC 21 Jun 2010 J.Young: convert for Namelist redesign\nC 27 Jan 2011 J.Young: remove references to AERO3 and AERO4\nC 20 Jan 2011 J. Bash: Passed the component fluxes and tstep between vdiff \nC & m3dry\nC 16 Feb 2011 S.Roselle: replaced I/O API include files with UTILIO_DEFN\nC 5 May 2011 J.Young: remove writing diagnostic output for initial call\nC 22 Sep 2011 D. Wong: - incorporated twoway model implemenation\nC - used a robust way to compute WTIME\nC 11 Oct 2011 J.Young: PUBLIC/PRIVATE sections, re-do WTIME computation\nC and WTIME computation for MOSAIC\nC 13 Dec 2011 J.Young: removed separate SOA variables - no longer used\nC 18 Sep 2012 D. Wong: invoke INIT_LSM regardless of MOSAIC or ABFLUX option\nC 07 Jul 14 B.Hutzell: replaced mechanism include file(s) with fortran module\nC 7 Nov 2014 J. Bash: Modified for the restructuring of vidff. Moved constants and data to \nC ASX_DATA_MOD.\nC Aug 2015 D. Wong: Replaced MYPE with IO_PE_INCLUSIVE to facilitate\nC parallel I/O implementation\nC Added a block of code to let non I/O processors to\nC open CTM_DEPV_DIAG in parallel I/O implementation\nC 1 Feb 19 David Wong: Implemented centralized I/O approach, removed all MY_N\nC clauses\nC 12 Dec 19 S.L.Napelenok: ddm-3d implementation for version 5.3.1\nC August 2020 J Pleim: Fixed timestep in call to m3dry. Corrects NH3 bidi emis, dep outputs\nC-------------------------------------------------------------------------------\n USE RUNTIME_VARS\n USE CGRID_SPCS, ONLY : N_SPC_DEPV\n\n#ifdef sens\n USE DDM3D_DEFN, ONLY : NP, NPMAX, S_PVD, S_CGRIDL1, S_PLDV\n#endif\n\n IMPLICIT NONE\n\nC model depositon velocites array\n REAL, ALLOCATABLE, SAVE :: DEPV( :,:,: )\n\nC no. of deposition velocity model species\n INTEGER, SAVE :: N_GAS_DEPV\n\nC ddep spc conversion factors\n REAL, ALLOCATABLE, SAVE :: DD_CONV( : )\n\nC model-oriented bi-directional production [ppm-m/s]\n REAL, ALLOCATABLE, SAVE :: PLDV( :,:,: )\n\nC Dry dep flux of NH3 for bidi [kg/ha hr]\n REAL, ALLOCATABLE, SAVE :: NH3_EMIS( :,: )\n REAL, ALLOCATABLE, SAVE :: NH3_DDEP( :,: )\n!C flag for mosaic - luc specific deposition - within in-lining depv\n! LOGICAL, SAVE :: MOSAIC = .FALSE.\n\n!C flag for mosaic - luc specific deposition - stomatal flux only - within in-lining depv\n! LOGICAL, SAVE :: FST = .FALSE. \n\n! PUBLIC DEPV, DEPVJ, DEPVJ_FST, DD_CONV, PLDV, CMP,\n! & ILDEPV, SFC_HONO, ABFLUX, MOSAIC, FST, N_GAS_DEPV,\n! & DEPV_INIT, GET_DEPV\n\n PUBLIC DEPV, N_SPC_DEPV, DD_CONV, PLDV, N_GAS_DEPV,\n & DEPV_INIT, GET_DEPV, NH3_EMIS, NH3_DDEP\n \n PRIVATE\n\nC gas species (gas-phase and gas non-reactive) deposition velocities\n REAL, ALLOCATABLE, SAVE :: DEPVEL_GAS( :,:,: )\n\nC m3dry-oriented bi-directional production [ppm-m/s]\n REAL, ALLOCATABLE, SAVE :: PVD( :,:,: )\n\nC CGRID for m3dry bi-directional flux calculation\n REAL, ALLOCATABLE, SAVE :: CGRIDL1( :,:,: )\n\nC flag for diagnostic DEPV file\n INTEGER, SAVE :: N_UNIQUE_GDEPV ! gas depv\n CHARACTER( 16 ), ALLOCATABLE, SAVE :: UNIQUE_GDEPV( : )\n INTEGER, ALLOCATABLE, SAVE :: GAS_DEPV_SUR( : )\n LOGICAL, ALLOCATABLE, SAVE :: GAS_DEPV_FOUND( : )\n\n INTEGER, SAVE :: N_UNIQUE_ADEPV ! aero depv\n CHARACTER( 16 ), ALLOCATABLE, SAVE :: UNIQUE_ADEPV( : )\n INTEGER, ALLOCATABLE, SAVE :: AER_DEPV_SUR( : )\n\n INTEGER, SAVE :: NR_OFFSET ! Offset to NR start in CGRID\n\n REAL, ALLOCATABLE, SAVE :: ADEPV( :,:,: ) ! Aerosol dep vel from\n ! subroutine AERO_DEPV\n REAL, ALLOCATABLE, SAVE :: DBUFF( :,: ) ! diagnostic output buffer\n REAL, ALLOCATABLE, SAVE :: DBUFF3( :,:,: ) ! diagnostic output buffer with 3 dimensions\n\n REAL, ALLOCATABLE, SAVE :: UCROSS( :,:,:)\n REAL, ALLOCATABLE, SAVE :: VCROSS( :,:,:)\n REAL, ALLOCATABLE, SAVE :: DLUSE( :,: )\n \n CONTAINS\n\nC-----------------------------------------------------------------------\n FUNCTION DEPV_INIT( JDATE, JTIME, TSTEP, CGRID ) RESULT ( SUCCESS )\n\n USE HGRD_DEFN\n USE RXNS_DATA ! chemical mechanism data\n USE CGRID_SPCS ! CGRID mechanism species\n USE DEPVVARS\n USE UTILIO_DEFN\n! USE MOSAIC_MOD, Only: Init_Mosaic\n USE LSM_MOD, Only: Init_LSM !, n_lufrac\n USE BIDI_MOD, Only: Init_Bidi, HgBidi\n\n IMPLICIT NONE\n\nC Includes:\n INCLUDE SUBST_CONST ! constants\n INCLUDE SUBST_FILES_ID ! file name parameters\n\nC Arguments:\n INTEGER JDATE, JTIME, TSTEP( 3 )\n REAL, POINTER :: CGRID( :,:,:,: )\n LOGICAL SUCCESS\n\nC External Functions:\n INTEGER, EXTERNAL :: FINDEX ! finds index of a number in a list\n\nC Parameters:\n REAL, PARAMETER :: RGAS1 = 1.0 / RGASUNIV ! univ. gas constant reciprocal\n REAL, PARAMETER :: M2PHA = 1.0E+04 ! 1 hectare = 1.0e4 m**2\n REAL, PARAMETER :: CMLMR = 1.0E+06 ! ppmV/Molar Mixing Ratio\n REAL, PARAMETER :: CNVTD = M2PHA / CMLMR / MWAIR ! combined ddep conv factor\n \nC Local variables:\n CHARACTER( 16 ), ALLOCATABLE :: ALL_GAS_DEPV( : )\n LOGICAL, ALLOCATABLE :: AE_DEPV_FOUND( : )\n\nC variables for deposition velocities diagnostic file\n INTEGER :: STATUS ! ENV... status\n CHARACTER( 80 ) :: VARDESC ! environment variable description\n\nC environment variable for diagnostic DEPV file\n CHARACTER( 16 ) :: CTM_DEPV_FILE = 'CTM_DEPV_FILE'\n \n CHARACTER( 16 ) :: PNAME = 'DEPV_INIT'\n CHARACTER( 120 ) :: XMSG = ' '\n\n INTEGER NDX, NDX2, NDX3 ! Temp index\n INTEGER ALLOCSTAT\n INTEGER J, L, N, S, V, STRT\n INTEGER, SAVE :: n_spc_m3dry = ltotg ! from DEPVVARS module\n\n INTERFACE\n SUBROUTINE OPDEPV_DIAG ( JDATE, JTIME, TSTEP,\n & N_GDEPV_NAMES, GDEPV_NAMES,\n & N_ADEPV_NAMES, ADEPV_NAMES )\n INTEGER, INTENT( IN ) :: JDATE, JTIME, TSTEP\n INTEGER, INTENT( IN ) :: N_GDEPV_NAMES\n CHARACTER( 16 ), INTENT( IN ) :: GDEPV_NAMES( : )\n INTEGER, INTENT( IN ) :: N_ADEPV_NAMES\n CHARACTER( 16 ), INTENT( IN ) :: ADEPV_NAMES( : )\n END SUBROUTINE OPDEPV_DIAG\n\n SUBROUTINE GAS_DEPV_MAP ( N_DEPV_NAMES, DEPV_NAMES, DEPV_SUR )\n INTEGER, INTENT( IN ) :: N_DEPV_NAMES\n CHARACTER( 16 ), INTENT( INOUT ) :: DEPV_NAMES( : )\n INTEGER, INTENT( OUT ) :: DEPV_SUR( : )\n END SUBROUTINE GAS_DEPV_MAP\n END INTERFACE\n\nC-----------------------------------------------------------------------\n\n SUCCESS = .TRUE.\n\n N_GAS_DEPV = N_GC_DEPV + N_NR_DEPV + N_TR_DEPV\n\n ALLOCATE ( DEPV( N_SPC_DEPV+1,NCOLS,NROWS ),\n & PLDV( N_SPC_DEPV,NCOLS,NROWS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating DEPV or PLDV arrays'\n CALL M3WARN( PNAME, JDATE, JTIME, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\n#ifdef sens\n ALLOCATE ( S_PLDV( NPMAX,N_SPC_DEPV,NCOLS,NROWS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating S_PLDV array'\n CALL M3WARN( PNAME, JDATE, JTIME, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n S_PLDV = 0.0 ! array assignment\n#endif\n\n ALLOCATE ( DEPVEL_GAS( N_GAS_DEPV,NCOLS,NROWS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating DEPVEL_GAS array'\n CALL M3WARN( PNAME, JDATE, JTIME, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\nC Initialize deposition velocities for nondeposited species to zero:\nC setting DEPV( N_SPC_DEPV+1,C,R ) = 0.0 accounts for dry dep. species names\nC as a subset of the vert. diffused species list\n DEPV = 0.0 ! array assignment\n PLDV = 0.0 ! array assignment\n\n ALLOCATE ( DD_CONV( N_SPC_DEPV+1 ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating DD_CONV'\n CALL M3WARN( PNAME, JDATE, JTIME, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\nC set dry dep conversion factor (done here so that vdiff doesn`t need the include files)\n S = 0\n DO V = 1, N_GC_DEPV\n S = S + 1\n DD_CONV( S ) = CNVTD * GC_MOLWT( GC_DEPV_MAP( V ) )\n END DO\n\n DO V = 1, N_AE_DEPV\n S = S + 1\n IF ( AE_SPC( AE_DEPV_MAP( V ) )( 1:3 ) .EQ. 'NUM' ) THEN\n DD_CONV( S ) = M2PHA * 1.0E+3 / MWAIR ! --> #/Ha\n ELSE IF ( AE_SPC( AE_DEPV_MAP( V ) )( 1:3 ) .EQ. 'SRF' ) THEN\n DD_CONV( S ) = M2PHA * 1.0E+03 / MWAIR ! --> M**2/Ha\n ELSE\n DD_CONV( S ) = CNVTD * AE_MOLWT( AE_DEPV_MAP( V ) )\n END IF\n END DO\n\n DO V = 1, N_NR_DEPV\n S = S + 1\n DD_CONV( S ) = CNVTD * NR_MOLWT( NR_DEPV_MAP( V ) )\n END DO\n\n DO V = 1, N_TR_DEPV\n S = S + 1\n DD_CONV( S ) = CNVTD * TR_MOLWT( TR_DEPV_MAP( V ) )\n END DO\n\nC Initialize\n IF ( N_AE_DEPV .GT. 0 ) THEN\n ALLOCATE ( ADEPV( N_AE_DEPV,NCOLS,NROWS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating ADEPV'\n CALL M3WARN( PNAME, JDATE, JTIME, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n END IF\n\n INIT_GAS_DV:\n & IF ( N_GAS_DEPV .GT. 0 ) THEN\n\n ALLOCATE ( ALL_GAS_DEPV( N_GAS_DEPV ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating ALL_GAS_DEPV'\n CALL M3WARN( PNAME, JDATE, JTIME, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\n DO V = 1, N_GC_DEPV\n ALL_GAS_DEPV( V ) = GC_DEPV( V )\n END DO\n STRT = N_GC_DEPV\n DO V = 1, N_NR_DEPV\n ALL_GAS_DEPV( V + STRT ) = NR_DEPV( V )\n END DO\n STRT = N_GC_DEPV + N_NR_DEPV\n DO V = 1, N_TR_DEPV\n ALL_GAS_DEPV( V + STRT ) = TR_DEPV( V )\n END DO\n\nC Identify and remove multiple occurrences of gas deposition velocities\n ALLOCATE( GAS_DEPV_FOUND( N_GAS_DEPV ),\n & GAS_DEPV_SUR ( N_GAS_DEPV ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating GAS_DEPV_FOUND or GAS_DEPV_SUR'\n CALL M3WARN( PNAME, JDATE, JTIME, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\n GAS_DEPV_FOUND = .FALSE.\n N_UNIQUE_GDEPV = 0\n\n LOOP_UNIQUE:\n & DO N = 1, N_GAS_DEPV\n IF ( GAS_DEPV_FOUND( N ) ) CYCLE LOOP_UNIQUE\n DO V = 1, N_GAS_DEPV\n IF ( ALL_GAS_DEPV( N ) .EQ. ALL_GAS_DEPV( V ) ) THEN\n IF ( GAS_DEPV_FOUND( V ) ) CYCLE LOOP_UNIQUE\n N_UNIQUE_GDEPV = N_UNIQUE_GDEPV + 1\n GAS_DEPV_FOUND( V ) = .TRUE.\n CYCLE LOOP_UNIQUE\n END IF\n END DO\n END DO LOOP_UNIQUE\n\n ALLOCATE( UNIQUE_GDEPV( N_UNIQUE_GDEPV ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating UNIQUE_GDEPV'\n CALL M3WARN( PNAME, JDATE, JTIME, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\n#ifdef Verbose\n write( logdev,* ) ' '\n write( logdev,* ) ' All Gas DEPVs Requested Gas DEPV'\n#endif\n\n V = 1\n DO N = 1, N_GAS_DEPV\n IF ( GAS_DEPV_FOUND( N ) ) THEN\n UNIQUE_GDEPV( V ) = ALL_GAS_DEPV( N )\n#ifdef Verbose\n write( logdev,1019 ) n, all_gas_depv( n ), v, unique_gdepv( v )\n1019 format( 2x, i5, 1x, a16, 2x, i5, 1x, a16 )\n#endif\n V = V + 1\n#ifdef Verbose\n else\n write( logdev,1019 ) n, all_gas_depv( n ), -1, ' '\n#endif\n END IF\n END DO\n\nC Get pointers to model species (GAS_DEPV_SUR)\n CALL GAS_DEPV_MAP ( N_UNIQUE_GDEPV, UNIQUE_GDEPV, GAS_DEPV_SUR )\n\nC Identify and remove multiple occurrences of aerosol deposition velocities\n\n ALLOCATE( AE_DEPV_FOUND( N_AE_DEPV ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating AE_DEPV_FOUND'\n CALL M3WARN( PNAME, JDATE, JTIME, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n AE_DEPV_FOUND = .FALSE.\n N_UNIQUE_ADEPV = 0\n\n AERO_UNIQUE:\n & DO N = 1, N_AE_DEPV\n IF ( AE_DEPV_FOUND( N ) ) CYCLE AERO_UNIQUE\n DO V = 1, N_AE_DEPV\n IF ( AE_DEPV( N ) .EQ. AE_DEPV( V ) ) THEN\n IF ( AE_DEPV_FOUND( V ) ) CYCLE AERO_UNIQUE\n N_UNIQUE_ADEPV = N_UNIQUE_ADEPV + 1\n AE_DEPV_FOUND( V ) = .TRUE.\n CYCLE AERO_UNIQUE\n END IF\n END DO\n END DO AERO_UNIQUE\n\n ALLOCATE( UNIQUE_ADEPV( N_UNIQUE_ADEPV ) )\n ALLOCATE( AER_DEPV_SUR( N_UNIQUE_ADEPV ) )\n\n#ifdef Verbose\n write( logdev,* ) ' '\n write( logdev,* ) ' Requested Aerosol DEPV and pointer'\n#endif\n\n V = 1\n DO N = 1, N_AE_DEPV\n IF ( AE_DEPV_FOUND( N ) ) THEN\n UNIQUE_ADEPV( V ) = AE_DEPV( N )\n AER_DEPV_SUR( V ) = N\n#ifdef Verbose\n write( logdev,1021 ) n, v, unique_adepv( v ), aer_depv_sur( v )\n1021 format( 2i5, 1x, a16, i5 )\n#endif\n V = V + 1\n END IF\n END DO\n\n#ifdef Verbose\n write( logdev,* ) ' '\n#endif\n\n ALLOCATE ( CGRIDL1( N_GAS_DEPV,NCOLS,NROWS ),\n & PVD ( N_GAS_DEPV,NCOLS,NROWS ), \n & NH3_EMIS( NCOLS,NROWS),\n & NH3_DDEP(NCOLS,NROWS), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating CGRIDL1, CMP or PVD arrays'\n CALL M3WARN( PNAME, JDATE, JTIME, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n CGRIDL1 = 0.0 ! array assignment (PVD initalized in m3dry)\n NH3_EMIS = 0.0\n NH3_DDEP = 0.0\n\n#ifdef sens\n ALLOCATE ( S_CGRIDL1( NPMAX,N_GAS_DEPV,NCOLS,NROWS ),\n & S_PVD ( NPMAX,N_GAS_DEPV,NCOLS,NROWS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating S_CGRIDL1 or S_PVD arrays'\n CALL M3WARN( PNAME, JDATE, JTIME, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n S_CGRIDL1 = 0.0\n#endif\n\n END IF INIT_GAS_DV\n\n WRITE( LOGDEV,'( 5X, A / )' ) 'DEPV_INIT: completed INIT_GAS_DV block '\n\n IF ( DEPV_DIAG ) THEN\n\n ALLOCATE ( DBUFF( NCOLS,NROWS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating DBUFF'\n CALL M3WARN( PNAME, JDATE, JTIME, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\n IF ( IO_PE_INCLUSIVE ) THEN\n CALL OPDEPV_DIAG ( JDATE, JTIME, TSTEP( 1 ),\n & N_UNIQUE_GDEPV, UNIQUE_GDEPV,\n & N_UNIQUE_ADEPV, UNIQUE_ADEPV )\n END IF\n\n END IF\n\n END FUNCTION DEPV_INIT\nC-----------------------------------------------------------------------\n\n\n SUBROUTINE GET_DEPV( JDATE, JTIME, TSTEP, CGRID)\nC-----------------------------------------------------------------------\n\n USE HGRD_DEFN\n USE CGRID_SPCS ! CGRID mechanism species\n USE DEPVVARS\n USE UTILIO_DEFN\n USE ASX_DATA_MOD, Only: GRID_DATA !, MOSAIC_DATA\n#ifdef mpas\n Use util_module, only : time2sec, nextime, currstep\n use mio_module\n#endif\n\n IMPLICIT NONE\n\nC Arguments:\n INTEGER, INTENT( IN ) :: JDATE, JTIME ! simulation date&time, tstep\n INTEGER, INTENT( IN ) :: TSTEP( 3 ) ! time step vector (HHMMSS)\n ! TSTEP(1) = local output step\n ! TSTEP(2) = sciproc sync. step (chem)\n ! TSTEP(3) = twoway model time step w.r.t. wrf time\n ! step and wrf/cmaq call frequency\n\n REAL, POINTER :: CGRID( :,:,:,: ) ! concentrations\n\n INCLUDE SUBST_CONST ! constants\n INCLUDE SUBST_FILES_ID ! file name parameters\n\nC Parameters:\n REAL, PARAMETER :: RGAS1 = 1.0 / RGASUNIV ! univ. gas constant reciprocal\n REAL, PARAMETER :: H_VAP = 156.0E+03 ! enthalpy of vaporization (J/mol)\n REAL, PARAMETER :: TREF = 298.0 ! Reference temperature for Cstar\n REAL, PARAMETER :: TREF1 = 1.0 / TREF ! Reciprocal ref temperature\n\nC Local variables:\n INTEGER STRT, FINI\n LOGICAL :: WRITE_TIME ! write to file flag\n LOGICAL :: WRITE_TIME_MOS ! write to file flag\n INTEGER, SAVE :: WSTEP = 0 ! local write counter [HHMMSS]\n INTEGER, SAVE :: WSTEP_MOS = 0 ! local write counter [HHMMSS]\n INTEGER :: CDATE, CTIME ! step beginning date and time\n INTEGER :: WDATE, WTIME ! write date and time\n REAL DTSEC\n CHARACTER( 16 ) :: PNAME = 'GET_DEPV '\n CHARACTER( 120 ) :: XMSG = ' '\n\n INTEGER C, R, N, V, NDX, J\n\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n\n CHARACTER (20) :: TIME_STAMP\n integer :: year, month, day, hour, minute\n\n#ifdef Verbose\n integer cw, rw\n#endif\n\n INTERFACE\n SUBROUTINE RDDEPV ( JDATE, JTIME, DEPV )\n INTEGER, INTENT( IN ) :: JDATE, JTIME\n REAL, INTENT( OUT ) :: DEPV( :,:,: )\n END SUBROUTINE RDDEPV \n SUBROUTINE CGRID_DEPV( GAS_DEPV_FOUND, GAS_DEPV_SUR, CGRID, CGRIDL1 )\n LOGICAL, INTENT( IN ) :: GAS_DEPV_FOUND( : )\n INTEGER, INTENT( IN ) :: GAS_DEPV_SUR( : )\n REAL, POINTER :: CGRID( :,:,:,: )\n REAL, INTENT( OUT ) :: CGRIDL1( :,:,: )\n END SUBROUTINE CGRID_DEPV\n SUBROUTINE M3DRY ( JDATE, JTIME, DTSEC, \n & CGRIDL1, DEPVEL_GAS, PVD, NH3_DDEP)\n INTEGER, INTENT( IN ) :: JDATE, JTIME\n REAL, INTENT( IN ) :: dtsec\n REAL, INTENT( IN ) :: CGRIDL1( :,:,: )\n REAL, INTENT( OUT ) :: DEPVEL_GAS( :,:,: ), PVD( :,:,: ),NH3_DDEP(:,:)\n END SUBROUTINE M3DRY\n SUBROUTINE AERO_DEPV ( CGRID, JDATE, JTIME, TSTEP, ADEPV )\n REAL, POINTER :: CGRID( :,:,:,: )\n INTEGER, INTENT( IN ) :: JDATE, JTIME, TSTEP\n REAL, INTENT( OUT ) :: ADEPV( :,:,: )\n END SUBROUTINE AERO_DEPV\n END INTERFACE\n\nC-----------------------------------------------------------------------\n DEPV = 0.0 \n\n! Made default for Hg bidi JOB 9/12/11\n CALL CGRID_DEPV( GAS_DEPV_FOUND, GAS_DEPV_SUR, CGRID, CGRIDL1 )\n\n DTSEC = FLOAT( TIME2SEC( TSTEP( 2 ) ) )\n CALL M3DRY ( JDATE, JTIME, DTSEC, \n & CGRIDL1, DEPVEL_GAS, PVD, NH3_DDEP )\n\n#ifdef Verbose\n cw = ncols/2; rw = nrows/2\n! cw = 17; rw = 43\n write( logdev,1033 ) cw, rw\n1033 format( /5x, 'Depv diagnostics for my_col, my_row:', i4, ', ', i4\n & /6x, 'v', 3x, 'n', 1x, 'variable', 10x, 'ndx',\n & 2x, 'depvel_gas', 4x, 'depv', 9x, 'pvd', 10x, 'pldv' )\n#endif\n\n N = 0\n STRT = 1\n FINI = N_GC_DEPV\n DO V = STRT, FINI\n N = N + 1\n NDX = GAS_DEPV_SUR( N )\n DO R = 1, NROWS\n DO C = 1, NCOLS\n DEPV( V,C,R ) = GC_DEPV_FAC( N ) * DEPVEL_GAS( NDX,C,R )\n PLDV( V,C,R ) = PVD( NDX,C,R )\n#ifdef sens\n DO NP = 1, NPMAX\n S_PLDV( NP,V,C,R ) = S_PVD( NP,NDX,C,R )\n END DO\n#endif\n#ifdef Verbose\n if ( c .eq. cw .and. r .eq. rw ) then\n write( logdev,1039 ) v, n, gc_depv( n ), ndx,\n & depvel_gas( ndx,c,r ), depv( v,c,r ),\n & pvd( ndx,c,r ), pldv( v,c,r )\n1039 format( 3x, 2i4, 1x, a16, 1x, i3, 4( 1x, 1pe12.4 ) )\n end if\n#endif\n END DO\n END DO\n\n END DO\n\n N = 0\n STRT = N_GC_DEPV + N_AE_DEPV + 1\n FINI = N_GC_DEPV + N_AE_DEPV + N_NR_DEPV\n DO V = STRT, FINI\n N = N + 1\n NDX = GAS_DEPV_SUR( N+N_GC_DEPV )\n DO R = 1, NROWS\n DO C = 1, NCOLS\n DEPV( V,C,R ) = NR_DEPV_FAC( N ) * DEPVEL_GAS( NDX,C,R )\n PLDV( V,C,R ) = PVD( NDX,C,R )\n#ifdef sens\n DO NP = 1, NPMAX\n S_PLDV( NP,V,C,R ) = S_PVD( NP,NDX,C,R )\n END DO\n#endif\n\n#ifdef Verbose\n if ( c == cw .and. r == rw ) then\n write( logdev,1039 ) v, n, nr_depv( n ), ndx,\n & depvel_gas( ndx,c,r ), depv( v,c,r ),\n & pvd( ndx,c,r ), pldv( v,c,r )\n end if\n#endif\n END DO\n END DO\n END DO\n\n N = 0\n STRT = N_GC_DEPV + N_AE_DEPV + N_NR_DEPV + 1\n FINI = N_GC_DEPV + N_AE_DEPV + N_NR_DEPV + N_TR_DEPV\n DO V = STRT, FINI\n N = N + 1\n NDX = GAS_DEPV_SUR( N + N_GC_DEPV + N_NR_DEPV )\n\n DO R = 1, NROWS\n DO C = 1, NCOLS\n DEPV( V,C,R ) = TR_DEPV_FAC( N ) * DEPVEL_GAS( NDX,C,R )\n PLDV( V,C,R ) = PVD( NDX,C,R )\n#ifdef sens\n DO NP = 1, NPMAX\n S_PLDV( NP,V,C,R ) = S_PVD( NP,NDX,C,R )\n END DO\n#endif\n#ifdef Verbose\n if ( c == cw .and. r == rw ) then\n write( logdev,1039 ) v, n, tr_depv( n ), ndx,\n & depvel_gas( ndx,c,r ), depv( v,c,r ),\n & pvd( ndx,c,r ), pldv( v,c,r )\n end if\n#endif\n END DO\n END DO\n\n END DO \n \n IF ( N_AE_DEPV .GT. 0 ) THEN\n CALL AERO_DEPV( CGRID, JDATE, JTIME, TSTEP( 1 ), ADEPV )\n\n STRT = N_GC_DEPV + 1\n FINI = N_GC_DEPV + N_AE_DEPV\n\n DO R = 1, NROWS\n DO C = 1, NCOLS\n N = 0\n DO V = STRT, FINI\n N = N + 1\n DEPV( V,C,R ) = AE_DEPV_FAC( N ) * ADEPV( N,C,R )\n END DO\n END DO\n END DO\n\n END IF\n\n IF ( DEPV_DIAG ) THEN\n\n WRITE_TIME = .FALSE.\n WSTEP = WSTEP + TIME2SEC( TSTEP( 2 ) )\n IF ( WSTEP .GE. TIME2SEC( TSTEP( 1 ) ) ) THEN\n WDATE = JDATE; WTIME = JTIME\n CALL NEXTIME( WDATE, WTIME, TSTEP( 2 ) )\n IF ( .NOT. CURRSTEP( WDATE, WTIME, STDATE, STTIME, TSTEP( 1 ),\n & CDATE, CTIME ) ) THEN\n XMSG = 'Cannot get step date and time'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT3 )\n END IF\n WDATE = CDATE; WTIME = CTIME\n WSTEP = 0\n WRITE_TIME = .TRUE.\n END IF\n\n IF ( WRITE_TIME ) THEN\n\n#ifdef mpas\n call mio_time_format_conversion (wdate, wtime, time_stamp)\n#else\n#ifdef parallel_io\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n IF ( DEPV_DIAG ) THEN\n IF ( .NOT. IO_PE_INCLUSIVE ) THEN\n IF ( .NOT. OPEN3( CTM_DEPV_DIAG, FSREAD3, PNAME ) ) THEN\n XMSG = 'Could not open ' // TRIM( CTM_DEPV_DIAG )\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END IF\n END IF\n\n END IF\n#endif\n#endif\n\n N = 0\n DO V = 1, N_GC_DEPV\n N = N + 1\n\n IF ( GAS_DEPV_FOUND( N ) ) THEN\n NDX = GAS_DEPV_SUR( N )\n\n DO R = 1, NROWS\n DO C = 1, NCOLS\n DBUFF( C,R ) = 100.0 * DEPV( N,C,R ) ! cm/sec\n END DO\n END DO\n \n#ifdef mpas\n call mio_fwrite (CTM_DEPV_DIAG, UNIQUE_GDEPV( NDX), pname,\n & real(DBUFF(:,1), 4), TIME_STAMP)\n#else\n\n IF ( .NOT. WRITE3( CTM_DEPV_DIAG, UNIQUE_GDEPV( NDX ),\n & WDATE, WTIME, DBUFF ) ) THEN\n XMSG = 'Could not write ' // CTM_DEPV_DIAG // ' file'\n CALL M3EXIT ( PNAME, WDATE, WTIME, XMSG, XSTAT1 )\n END IF\n#endif\n END IF\n\n END DO\n\n DO V = 1, N_NR_DEPV\n N = N + 1\n\n IF ( GAS_DEPV_FOUND( N ) ) THEN\n NDX = GAS_DEPV_SUR( N )\n\n DO R = 1, NROWS\n DO C = 1, NCOLS\n DBUFF( C,R ) = 100.0 * DEPV( N+N_AE_DEPV,C,R ) ! cm/sec\n END DO\n END DO\n#ifdef mpas\n call mio_fwrite (CTM_DEPV_DIAG, UNIQUE_GDEPV( NDX), pname,\n & real(DBUFF(:,1), 4), TIME_STAMP)\n#else\n IF ( .NOT. WRITE3( CTM_DEPV_DIAG, UNIQUE_GDEPV( NDX ),\n & WDATE, WTIME, DBUFF ) ) THEN\n XMSG = 'Could not write ' // CTM_DEPV_DIAG // ' file'\n CALL M3EXIT ( PNAME, WDATE, WTIME, XMSG, XSTAT1 )\n END IF\n#endif\n\n END IF\n\n END DO\n\n DO N = 1, N_UNIQUE_ADEPV\n\n NDX = AER_DEPV_SUR( N )\n\n DO R = 1, NROWS\n DO C = 1, NCOLS\n DBUFF( C,R ) = 100.0 * ADEPV( NDX,C,R ) ! cm/sec\n END DO\n END DO\n#ifdef mpas\n call mio_fwrite (CTM_DEPV_DIAG, UNIQUE_ADEPV( N ), pname,\n & real(DBUFF(:,1), 4), TIME_STAMP)\n#else\n IF ( .NOT. WRITE3( CTM_DEPV_DIAG, UNIQUE_ADEPV( N ),\n & WDATE, WTIME, DBUFF ) ) THEN\n XMSG = 'Could not write ' // CTM_DEPV_DIAG // ' file'\n CALL M3EXIT ( PNAME, WDATE, WTIME, XMSG, XSTAT1 )\n END IF\n#endif\n\n END DO\n\n END IF ! write_time\n\n END IF ! DEPV_DIAG\n\n END SUBROUTINE GET_DEPV\n\n END MODULE DEPV_DEFN\n" }, { "path": "CCTM/src/depv/m3dry/HGSIM.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n MODULE HGSIM\n\nC-----------------------------------------------------------------------\nC Function: This module contains the code to predict bidirectional\nC exchanges between the atmosphere and surface media using a two\nC layer resistance-capacitance model. Fluxes are parameterized by\nC applying Fick's law across the atmospheric surface media\nC concentration gradient.\nC\nC Revision History:\nC 12 Aug 2008 J. Bash initial implementation\nC 2 Apr 2009 J. Bash for solar irradation on the order of 1e-3 w/m2\nC the mercury surface water photo redox scheme\nC became unstable. A conditional statement was\nC added to correct this instability.\nC 4 June 2009 J. Bash Corrected the time stamp on WRASX_MEDIA to be\nC consistant with other CMAQ modules reported by\nC (T.Myers)\nC 22 Oct 2009 J. Bash Corrected a units conversion error in ASWX and ATX\nC reported by (P. Pongprueksa) and added a more\nC robust soil diffusion model adapted from the\nC Community Land Model 3.5.\nC 13 Sept 2011 J. Bash Updated the Hg bidi model to share data with the \nC NH3 bidirectional exchange model in a more general\nC framework using BIDI_MOD.F and LSM_MOD.F modules. \nC Hg bidirectional exchange is now a run time option. \nC 17 Jan 2012 J. Bash Removed the dependence on the LAPACK libraries\nC and found analytical solutions to all the Hg\nC exchange equations.\nC 14 Feb 2013 J. Bash Added support for the NLCD 40 (2006) land use data\nC 15 Oct 2018 D. wong Moved INIT_MEDC_1 data extraction code to centralized_io_module.F\nC 01 Feb 2019 David Wong: Implemented centralized I/O approach, removed all MY_N clauses\nC\nC References:\nC\nC Bash, J.O. 2010, Description and initial simulaiton of a dynamic bi-directional \nC surface exchange model for mercury in CMAQ, J. Geophys.\nC Res., 115, D06305\nC Mason, R.P., J.R. Reinfelder, F.M.M. Morel, 1996, Uptake, toxicity, and\nC trophic transfer of mercury in a coastal diatom, Environ. Sci. Technol.\nC 30, 1835-1845\nC Scholtz, M.T., B.J. Van Heyst, W.H. Schroeder, 2003, Modelling of mercury\nC emissions from background soils, Sci. Tot. Environ. 304, 185-207\nC Trapp S. and Matthies, 1995, Generic one-compartment model for uptake of\nC organic chemicals by foliar vegetations. Environ. Sci. Technol. 29,\nC 2333-2338\nC Trapp, S., 2004, Plant uptake and transport for netural and ionic chemicals,\nC Environ. Sci. Pollut. Res. 11, 33-39\nC Whalin, L., E.-H. Kim, R. Mason, 2007, Factors influencing the oxidation,\nC reduciton, methylation and demethylation of mercury species in costal\nC water, Marine Chem. 107, 278-294\nC-----------------------------------------------------------------------\n IMPLICIT NONE\n\n! Shared variables\n\n! Private variables used in this routine and\n REAL(8), ALLOCATABLE, PRIVATE :: HgLU_Fac(:)\n REAL(8), ALLOCATABLE, SAVE, PRIVATE :: fevgrn(:,:) ! fraction of evergreen land use\n\n REAL(8), PARAMETER, PRIVATE :: zsurf = 1d+0 ! ocean slab depth (m)\n REAL(8), PARAMETER, PRIVATE :: ZG = 5d-2\n\n CHARACTER( 96 ), PRIVATE :: XMSG = ' '\n CHARACTER( 80 ), SAVE, Private :: LAND_SCHEME\n\n! variable needed for analytical solutions of exchange equations\n REAL(8), ALLOCATABLE, PRIVATE :: KO(:,:)\n REAL(8), ALLOCATABLE, PRIVATE :: EIVAL(:)\n REAL(8), ALLOCATABLE, PRIVATE :: VR(:,:)\n REAL(8), PRIVATE :: ax ! coefficients used of the \n REAL(8), PRIVATE :: bx ! quadratic and cubic equations\n REAL(8), PRIVATE :: cx ! ATX and ASWX\n REAL(8), PRIVATE :: Qx ! coefficients used to solve for \n REAL(8), PRIVATE :: Rx ! the roots of the cubic equation\n REAL(8), PRIVATE :: ThetaX ! in ATX\n REAL(8), PRIVATE :: ev1 ! Temporary variables used to \n REAL(8), PRIVATE :: ev2 ! calculate the eigen vectors \n REAL(8), PRIVATE :: ev3 ! in ATX and ASWX\n REAL(8), PRIVATE :: evmax !\n REAL(8), PRIVATE :: DetKO ! Variables used to solve for the \n REAL(8), PRIVATE :: DetK1 ! non-homogeneous part of the solution\n REAL(8), PRIVATE :: DetK2 ! a system of equations in ATX and\n REAL(8), PRIVATE :: DetK3 ! ASWX using Cramer's Rule\n REAL(8), PRIVATE :: DetEV ! Variables used to solve for the \n REAL(8), PRIVATE :: DetE1 ! integration constants in the \n REAL(8), PRIVATE :: DetE2 ! system of equations in ATX and\n REAL(8), PRIVATE :: DetE3 ! ASWX using Cramer's Rule\n \n INTEGER, PRIVATE :: NC\n INTEGER, PRIVATE :: i\n INTEGER, PRIVATE :: j\n \n REAL(8), ALLOCATABLE, PRIVATE :: B( : ) ! Surface media concentration vector\n REAL(8), ALLOCATABLE, PRIVATE :: NHS( : ) ! non-homogenious solution\n\n INTEGER, SAVE, PRIVATE :: dt ! internal model time step\n\nC input/output parameters\n\n INTEGER, PRIVATE :: N_AQ_CONC ! aqueous media concentrations\n INTEGER, PRIVATE :: N_GAS_CONC ! gaseous media concentrations\n INTEGER, PRIVATE :: N_SOL_CONC ! solid media concentrations\n\n CHARACTER( 16 ), ALLOCATABLE, PRIVATE :: MEDIA_NAMES( : )\n\n REAL(8), ALLOCATABLE, PRIVATE :: MLAI( :,: ) ! used to track change in LAI\n\n CONTAINS\n\n SUBROUTINE INIT_HGSIM( JDATE, JTIME )\n\n USE HGRD_DEFN ! horizontal grid specifications\n USE UTILIO_DEFN\n USE ASX_DATA_MOD\n USE LSM_MOD\n USE Bidi_Mod\n\n IMPLICIT NONE\n\n INCLUDE SUBST_FILES_ID ! file name parameters\n\n INTEGER, INTENT( IN ) :: JDATE\n INTEGER, INTENT( IN ) :: JTIME\n\n INTEGER GXOFF, GYOFF ! global origin offset from file\n integer, save :: loc_strtcol, loc_endcol, loc_strtrow, loc_endrow\n INTEGER, SAVE :: loc_STRTCOLGC2, loc_ENDCOLGC2, loc_STRTROWGC2, loc_ENDROWGC2\n\n CHARACTER( 16 ) :: PNAME = 'INIT_HGSIM'\n CHARACTER( 96 ) :: MSG = ' '\n\n INTEGER V, L, C, R\n\nC--------------------------------------------------------------------------\n INIT_LAI = .TRUE.\n\n IF( .NOT. ALLOCATED (MLAI) ) THEN\n ALLOCATE( MLAI(NCOLS,NROWS) )\n MLAI( :,: ) = 0.0\n END IF\n IF ( .NOT. ALLOCATED ( fevgrn ) ) THEN\n ALLOCATE ( fevgrn( NCOLS,NROWS ) )\n fevgrn( :,: ) = 0.0\n END IF\n\n! SELECT CASE( LAND_SCHEME )\n! CASE( 'USGS24' )\n! ALLOCATE ( Hglu_fac( n_lufrac ) )\n! Hglu_fac = HGLU_FAC_USGS \n DO C = 1, NCOLS\n DO R = 1, NROWS\n DO L = 1, N_LUFRAC\n IF(CAT_LU(L) .EQ. 'EVEFOR') THEN\n fevgrn(c,r) = fevgrn(c,r) + Grid_Data%lufrac(c,r,l)\n End IF\n IF(CAT_LU(L) .EQ. 'MIXFOR') THEN\n fevgrn(c,r) = fevgrn(c,r) + Grid_Data%lufrac(c,r,l)\n End IF \n END DO\n END DO\n END DO\n! CASE( 'MODIS' )\n! ALLOCATE ( Hglu_fac( n_lufrac ) )\n! Hglu_fac = HGLU_FAC_MODIS\n! DO C = 1, NCOLS\n! DO R = 1, NROWS\n! fevgrn(c,r) = lufrac(1,c,r)+lufrac(2,c,r)+0.5*lufrac(5,c,r)\n! END DO\n! END DO\n! CASE( 'NLCD40' )\n! ALLOCATE ( Hglu_fac( n_lufrac ) )\n! Hglu_fac = HGLU_FAC_NLCD40\n! DO C = 1, NCOLS\n! DO R = 1, NROWS\n! fevgrn(c,r) = lufrac(1,c,r) + lufrac(2,c,r) +\n! & 0.5*lufrac(5,c,r) + lufrac(29,c,r) +\n! & 0.5*lufrac(30,c,r)\n! END DO\n! END DO\n! CASE( 'NLCD50' )\n! ALLOCATE ( Hglu_fac( n_lufrac ) )\n! Hglu_fac = HGLU_FAC_NLCD50\n! DO C = 1, NCOLS\n! DO R = 1, NROWS\n! fevgrn(c,r) = lufrac(10,c,r) + 0.5*lufrac(11,c,r) +\n! & lufrac(32,c,r) + lufrac(32,c,r) + \n! & 0.5*lufrac(36,c,r)\n! END DO\n! END DO\n! CASE DEFAULT\n! xmsg = 'Land use scheme not supported'\n! CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n! END SELECT\n\nC **** Read in saved surface layer concentrations\n#ifdef mpas\n INIT_ASX = .FALSE.\n INIT_ATX = .FALSE.\n#else\n IF ( .NOT. MEDC_AVAIL ) THEN\n INIT_ASX = .TRUE.\n INIT_ATX = .TRUE.\n\n ELSE\n\n INIT_ASX = .FALSE.\n INIT_ATX = .FALSE.\n\n END IF ! load surface arrays\n#endif\n\n RETURN\n\n!------------------------------------------------------------------------------\n! Error handeling section\n!------------------------------------------------------------------------------\n1001 CONTINUE\n CALL M3EXIT( pname, jdate, jtime, xmsg, xstat1 )\nC-------------------------------------------------------------------------------\nC Format statements.\nC-------------------------------------------------------------------------------\n\n9001 FORMAT( 'Failure reading ', a, 1x, 'from ', a )\n\n RETURN\n\n END SUBROUTINE INIT_HGSIM\n\n SUBROUTINE ATX (rbc, rcut, rwetsfc, rinc, rsnow, rgw, ifsnow, xm, \n & dvel, HG, H, dpvd, del, tstep, c, r, l, jdate, jtime )\n\n! test program to find and return eigenvalues and eigenvectors for a coupled\n! land - surface echange model using Intels math kernel library (MKL) linear\n! algebra functions\n\n USE HGRD_DEFN ! horizontal grid specifications\n USE DEPVVARS\n USE LSM_MOD\n USE UTILIO_DEFN\n USE BIDI_MOD\n USE ASX_DATA_MOD\n\nC Includes:\n\n! INCLUDE SUBST_CONST ! constants\n INCLUDE SUBST_FILES_ID ! file name parameters\n\nC Arguments passed to and from m3dry\n\n REAL, INTENT( IN ) :: rbc ! laminar boundary layer resistance\n REAL, INTENT( IN ) :: rcut ! cuticle resistance\n REAL, INTENT( IN ) :: rwetsfc ! wet surface resistance\n REAL, INTENT( IN ) :: rinc ! in canopy resistance\n REAL, INTENT( IN ) :: rsnow\n REAL, INTENT( IN ) :: rgw ! wet soil resistance\n REAL, INTENT( IN ) :: xm\n REAL, INTENT( IN ) :: HG\n REAL, INTENT( IN ) :: H\n REAL, INTENT( IN ) :: del\n\n REAL, INTENT( OUT ) :: dpvd ! evasion\n REAL, INTENT( OUT ) :: dvel ! deposition velocity\n\n INTEGER, INTENT( IN ) :: c\n INTEGER, INTENT( IN ) :: r\n INTEGER, INTENT( IN ) :: l\n INTEGER, INTENT( IN ) :: jdate\n INTEGER, INTENT( IN ) :: jtime\n INTEGER, INTENT( IN ) :: tstep\n INTEGER, INTENT( IN ) :: ifsnow\n\n CHARACTER( 96 ) :: XMSG = ' '\n\n CHARACTER( 16 ), PARAMETER :: pname = 'ATX'\n\n REAL(8) :: vdHG ! Elemental Hg deposition velocity\n REAL(8) :: vdHGct ! Hg cuticular transfer velocity\n REAL(8) :: vdHGst ! stomatal transfer velocity\n REAL(8) :: vdHGsl\n REAL(8) :: pdHgsl\n REAL(8) :: rgnd\n\n REAL(8) :: ZC, ZM ! depth of model surface media\n\n!Model concentrations\n\n REAL(8), SAVE :: Cc ! cuticular Hg(0) concentrations\n REAL(8), SAVE :: Cm ! mesophyll Hg(0) concentrations\n REAL(8), SAVE :: CgHg ! Soil Hg(0) concentrations\n REAL(8), SAVE :: CHgzo ! Hg(0) concentrations at z = zo\n REAL(8), SAVE :: CgHgII0 ! Soil Hg(II) concentrations\n REAL(8) :: vdHgt ! sum of Hg deposition velocities\n!********* reduction and partioning terms *******************************\n REAL(8) :: kr ! soil divalent mercury reduction term\n REAL(8) :: Kam ! air mesophyll partitioning coefficient for Hg(II)\n REAL(8) :: Kac ! air cuticule partitioning coeffiecient for Hg(II)\n REAL(8) :: Kow ! HgCl2 Octanol water partioning coefficient\n REAL(8) :: Kpwc ! Hg(0) air-vegetation surface partitioning coefficient\n REAL(8) :: Kpwm ! Hg(0) air-mesophyll partitioning coefficient\n!********* vegetation poperties *****************************************\n REAL(8) :: lm ! leaf mesophyll lipid fraction\n REAL(8) :: lc ! cuticular wax mesophyll lipid fraction\n REAL(8) :: Wp ! water content fraction of the leaf\n REAL(8) :: bc ! Emprical coefficeint to describe differences in plant lipids\n REAL(8) :: flai ! Factor in mercury accumulation due to biodilution or scenescence\n!********* Intermediate concentration variables *********************\n REAL, SAVE :: Hgm\n REAL, SAVE :: Hgc\n REAL, SAVE :: Hgs\n!******** soil properties ***********************************************\n REAL(8), PARAMETER :: kvis_d = REAL(kvis,8) ! [cm^2 / s] at 273.15K\n REAL(8) :: wg_min ! minimum soil moisture content\n REAL(8) :: ldry ! diffusion length\n Real(8) :: rbg ! soil boundary layer resistance\n REAL(8) :: scn ! for Rbg\n REAL(8) :: ustg ! for Rbg\n REAL(8) :: del0 ! for Rbg\n Real(8) :: dp ! for Rsoil\n INTEGER :: ist ! soil type\n!********* Unit conversions *********************\n REAL(8) :: M3MOLVOL ! molar volume of air at stp m3/mol\n!********* Variables used to handle an over determined system\n LOGICAL :: EV23 ! eigen values 1 and 3 are the same \n\n M3MOLVOL = MOLVOL/1.0D3\n \n IF( INIT_LAI ) THEN\n MLAI( c,r ) = Met_Data%LAI(c,r)\n flai = 1.0D0\n END IF \n IF( INIT_ATX ) THEN\n! Equilibrium Hg(0) mesophyll concentration in a 5 month box model simulation\n! umol/g leaf dry matter\n Cm = fevgrn(c,r)*6.0D-6 + (1.0D0-fevgrn(c,r))*CMEDIA(c,r,5)\n! Cuticular Hg(0) concentration in a 5 month box model simulation\n Cc = fevgrn(c,r)*6.0D-7 + (1.0D0-fevgrn(c,r))*CMEDIA(c,r,6)\n! Initialize at ambient concentration (zero flux condition)\n CgHg = HG ! ng/g bulk soil concentration\n CHgzo = HG ! ppm compensation point\n ELSE\n IF( MLAI(c,r) .EQ. 0.0 ) THEN\n flai = 1.0D0\n ELSE\n flai = max(Met_Data%LAI(c,r)/MLAI( c,r ),1.0D0) ! bio dilution\n END IF\n IF(flai .GT. 3.0) WRITE(Logdev,*) 'LAI factor: ', flai\n MLAI( c,r ) = Met_Data%LAI(c,r)\n Cm = CMEDIA( c,r,5 )/flai ! ng/g bulk leaf concentration\n Cc = CMEDIA( c,r,6 )/flai ! ng/g bulk leaf concentration\n CgHg = CMEDIA( c,r,3 ) ! ng/g bulk soil concentration\n END IF\n\n dt = tstep\n\n! Model layer depths\n\n ZC = 7.1D1* REAL(Met_Data%LAI(c,r),8) ! g/m**2 based off of leaf litter fall\n ZM = 7.1D1* REAL(Met_Data%LAI(c,r),8) ! measurements at UCONN's experimental\n! forest Bash and Miller 2009 Atmos. Environ.\n\n!***************** canopy parameters *********************************\n Kow = 4.15D0 ! For Hg, Mason 1996\n lm = 2.0D-2 ! From Trapp and Matthis 1995\n lc = 2.0D-2 ! Assumed cuticular wax lipid content\n Wp = 8.0D-1 ! leaf water fraction, Trapp and Mathis 1996\n bc = 9.5D-1 ! For barley, Trapp and Mathis 1996\n Kpwc = (Wp+lc*1.0D0/8.22D-1*Kow**bc)*MWWAT ! g/umol\n Kpwm = (Wp+lm*1.0D0/8.22D-1*Kow**bc)*MWWAT ! g/umol\n! Partitioning coeficients following the methodology of the PEM model\n kac = (Kpwc*(1.0D0-del)) + ! evasion from dry cuticles\n & Kpwc*del*H ! g/mol cuticle surface\n kam = Kpwm*H ! g/mol apoplast solution\n!**************** soil parameters ************************************\n! Compute quasi-laminar boundary layer resistance at the soil surface\n scn = kvis / dif0(l)\n ustg = max(Met_Data%Ustar(c,r) * EXP(-REAL(Met_Data%LAI(c,r),8)), 1.0D-3)\n del0 = 1.0D-4 * kvis / ( karman * ustg )\n rbg = ( scn - LOG( 1.0D1 * del0 ) ) / ( karman * ustg )\n! Compute soil resistance\n ist = Grid_Data%SLTYP(c,r)\n wg_min = REAL(MAX(Met_Data%SOIM1(c,r),Grid_Data%Wres(c,r)),8)\n ldry= MAX(ZG*(EXP((1.0D0-wg_min/Grid_Data%Wsat(c,r))**5)-1.0D0)/1.718D0,1.0D-12)\n dp = dif0(l)*1.D-4 * Grid_Data%Wsat(c,r)**2 \n & *(1.0D0-Grid_Data%Wres(c,r)/Grid_Data%Wsat(c,r))**(2.0D0+3.0D0/Grid_Data%Bslp(c,r))\n! Soil divalent mercury reduction rate following Scholz et al 2003\n IF(Met_Data%SOIT1(c,r) .GT. 273.15) THEN\n kr = 8.0D-11\n rgnd = ldry/dp\n ELSE ! if the soil is frozen limit diffusion and reduction\n kr = 0.0D0\n rgnd = 1.0D6\n END IF\n\n cgHgII0 = 0.0D0\n\n DO i = 1, n_lufrac\n cgHgII0 = cgHgII0+hglu_fac(i)*Grid_data%lufrac(c,r,i)\n END DO\nC Set floor to smallest terrestrial value\n cgHgII0 = MAX( cgHgII0, 1.8D1 ) \n\nC diffusion through soil from Scholtz et al. 2003\n vdHg = 1/(REAL(Met_Data%RA(c,r),8)+5.0D-1*rinc)\n vdHgst = 1.0D0/( rbc + REAL(Met_Data%RS(c,r),8) )\n vdHgct = REAL(Met_Data%LAI(c,r),8)*(( 1.0D0 - del )/( rbc + rcut )\n & + ( del )/(rbc + rwetsfc ))\n vdHgsl = REAL(Met_Data%VEG(c,r),8)/( rbg + rgnd + 5.0D-1*rinc)\n & + ((1-ifsnow) *( 1.0D0 - REAL(Met_Data%VEG(c,r),8) )*( 1.0D0-del ))/(rbg + rgnd )\n & + (del * (1.0D0-ifsnow))/(rbg + rgw )\n & + (ifsnow*(1.0D0 - xm))/( rbg + rsnow )\n & + (xm*ifsnow)/(rbc + rsndiff + rgw)\n pdHgsl = 1.0D0/(REAL(Met_Data%RA(c,r),8) + 1.0D0/vdHgsl ) ! production term with no canopy\n\n vdHgt = vdHg + vdHgst + vdHgct + vdHgsl\n\n CHgzo = (vdHg*Hg+vdHgst/kam*Cm+vdHgct/kac*Cc+vdHgsl/H*cgHg)\n & /vdHgt\n\n dpvd = Met_Data%veg(c,r) * vdHg * CHgzo + (1.0D0-REAL(Met_Data%VEG(c,r),8)) * pdHgsl/H * CgHg\n\n dvel = pdHgsl + REAL(Met_Data%VEG(c,r),8) *(vdhg-pdHgsl)\n\n! Load array A\n NC = 3\n\n ALLOCATE ( KO(NC,NC), VR(NC,NC), EIVAL(NC))\n\n KO = 0.0D0\n\n KO(1,1) = -vdHgst/(ZM*kam*M3MOLVOL)*(1.0D0-vdHgst/(kam*vdHgt))\n KO(1,2) = vdHgst/(ZM*M3MOLVOL)*vdHgct/(kac*vdHgt)\n KO(1,3) = vdHgst/(ZM*M3MOLVOL)*vdHgsl/(H*vdHgt)\n KO(2,1) = vdHgct/(ZC*M3MOLVOL)*vdHgst/(kam*vdHgt)\n KO(2,2) = -vdHgct/(ZC*kac*M3MOLVOL)*(1.0D0-vdHgct/(kac*vdHgt))\n KO(2,3) = vdHgct/(ZC*M3MOLVOL)*vdHgsl/(H*vdHgt)\n KO(3,1) = vdHgsl/(ZG*wg_min)*vdHgst/(kam*vdHgt)\n KO(3,2) = vdHgsl/(ZG*wg_min)*vdHgct/(kac*vdHgt)\n KO(3,3) = -vdHgsl/(ZG*wg_min*H)*(1.0D0-vdHgsl/(H*vdHgt)) \n\n ALLOCATE( NHS(NC))\n\n NHS = 0.0D0\n\n! load the non-homogenious part of the system of equations\n NHS(1) = -vdHgst/ZM*(vdHg*HG/M3MOLVOL)/vdHgt\n NHS(2) = -vdHgct/ZC*(vdHg*HG/M3MOLVOL)/vdHgt\n NHS(3) = -vdHgsl/(ZG*wg_min)*(vdHg*HG)/vdHgt \n & -kr*rhob(ist)*cgHgII0*(ZG)/(1.0D3*2.0059D2) \n \n ALLOCATE( B(NC))\n\n B = 0.0D0\n\n! Load the initial conditions\n\n B(1) = real( Cm, 8 )\n B(2) = real( Cc, 8 )\n B(3) = real( CgHg, 8 )\n\n!*****************************************************************************\n! Get eigen values and vectors where the cubic equation is:\n! lambda**3+ax*lambda**2+bx*lambda+cx = 0\n! and is solved following Numerical recipies for Fortran equations 5.6.10-5.6.12\n!*****************************************************************************\n\n ax = -(KO(1,1)+KO(2,2)+KO(3,3))\n \n bx = -(KO(2,3)*KO(3,2)+KO(2,1)*KO(1,2)+\n & KO(3,1)*KO(1,3)-KO(1,1)*KO(2,2)-\n & KO(1,1)*KO(3,3)-KO(2,2)*KO(3,3))\n \n cx = (KO(1,1)*KO(2,3)*KO(3,2)+\n & KO(3,1)*KO(1,3)*KO(2,2)+\n & KO(2,1)*KO(1,2)*KO(3,3)-\n & KO(3,1)*KO(1,2)*KO(2,3)-\n & KO(2,1)*KO(1,3)*KO(3,2)-\n & KO(1,1)*KO(2,2)*KO(3,3))\n \n Qx = (ax**2.0D0-3.0D0*bx)/9.0D0\n Rx = (2.0D0*ax**3.0D0-9.0D0*ax*bx+27.0D0*cx)/54.0D0 \n\n! There will always be three real roots in this system\n! so we can use the simple geometric solution for a \n! cubic equation.\n IF( Rx/DSQRT(Qx**3) .LT. 1.0D0 ) THEN\n ThetaX = DACOS(Rx/DSQRT(Qx**3))\n EIVAL(1) = -2.0D0*sqrt(Qx)*DCOS(ThetaX/3.0D0)-ax/3.0D0\n EIVAL(2) = -2.0D0*sqrt(Qx)*DCOS((ThetaX+2.0D0*Pi)/3.0D0)-ax/3.0D0\n EIVAL(3) = -2.0D0*sqrt(Qx)*DCOS((ThetaX-2.0D0*Pi)/3.0D0)-ax/3.0D0\n! Solve for the eigenvectors by setting the first element to 1 and using\n! Cramer's rule to solve the second and third elements using the first\n! two equations \n DO i = 1, NC\n ev1 = 1.0D0\n ev2 = (KO(2,1)*KO(1,3)-(KO(1,1)-EIVAL(i))*KO(2,3))/\n & (KO(1,2)*KO(2,3)-(KO(2,2)-EIVAL(i))*KO(1,3)) \n ev3 = ((KO(1,1)-EIVAL(i))*(KO(2,2)-EIVAL(i))-KO(2,1)*KO(1,2))/\n & (KO(1,2)*KO(2,3)-(KO(2,2)-EIVAL(i))*KO(1,3))\n evmax = max(abs(ev1),abs(ev2),abs(ev3))\n! scale the eigenvector\n VR(1,i) = ev1/evmax\n VR(2,i) = ev2/evmax\n VR(3,i) = ev3/evmax \n END DO \n! Rounding error can lead to Rx**2 > Qx**2 this usually indicates that two of the Eigen values are \n! equivalent Rx**2 = Qx**3 or there are complex roots in which the model will crash\n ELSE\n ThetaX = 0.0D0\n EIVAL(1) = -2.0D0*sqrt(Qx)*DCOS(ThetaX/3.0D0)-ax/3.0D0\n EIVAL(2) = -2.0D0*sqrt(Qx)*DCOS((ThetaX+2.0D0*Pi)/3.0D0)-ax/3.0D0\n EIVAL(3) = -2.0D0*sqrt(Qx)*DCOS((ThetaX-2.0D0*Pi)/3.0D0)-ax/3.0D0\n DO i = 1, NC\n ev1 = 1.0D0\n ev2 = (KO(2,1)*KO(1,3)-(KO(1,1)-EIVAL(i))*KO(2,3))/\n & (KO(1,2)*KO(2,3)-(KO(2,2)-EIVAL(i))*KO(1,3)) \n ev3 = ((KO(1,1)-EIVAL(i))*(KO(2,2)-EIVAL(i))-KO(2,1)*KO(1,2))/\n & (KO(1,2)*KO(2,3)-(KO(2,2)-EIVAL(i))*KO(1,3))\n evmax = max(abs(ev1),abs(ev2),abs(ev3))\n! scale the eigenvector\n VR(1,i) = ev1/evmax\n VR(2,i) = ev2/evmax\n VR(3,i) = ev3/evmax \n END DO \n! Two roots are the same and independent eigenvectors need to be found \n! simply select a different element of the vector to be unity\n ev1 = ( KO(1,3)*( KO(2,2)-EIVAL(3))-KO(1,2)*KO(2,3))/\n & ((KO(1,1)-EIVAL(3))*KO(2,3)- KO(1,3)*KO(2,1))\n ev2 = -1.0D0 \n ev3 = ( KO(2,1)* KO(1,2)-(KO(1,1)-EIVAL(3))*(KO(2,2)-EIVAL(3)))/\n & ((KO(1,1)-EIVAL(3))*KO(2,3)- KO(1,3)* KO(2,1))\n evmax = max(abs(ev1),abs(ev2),abs(ev3))\n! scale the eigenvector\n VR(1,3) = ev1/evmax\n VR(2,3) = ev2/evmax\n VR(3,3) = ev3/evmax\n END IF\n\nC******************************************************************************\nC******* Find the non homogenious solution ************************************\nC******************************************************************************\n\n! solve for KO*x = NHS using Cramer's Rule\n\n DetKO = KO(1,1)*KO(2,2)*KO(3,3)-KO(1,1)*KO(3,2)*KO(2,3)+\n & KO(2,1)*KO(3,2)*KO(1,3)-KO(2,1)*KO(1,2)*KO(3,3)+\n & KO(3,1)*KO(1,2)*KO(2,3)-KO(3,1)*KO(2,2)*KO(1,3) \n\n DetK1 = NHS(1)*KO(2,2)*KO(3,3)-NHS(1)*KO(3,2)*KO(2,3)+\n & NHS(2)*KO(3,2)*KO(1,3)-NHS(2)*KO(1,2)*KO(3,3)+\n & NHS(3)*KO(1,2)*KO(2,3)-NHS(3)*KO(2,2)*KO(1,3) \n \n DetK2 = KO(1,1)*NHS(2)*KO(3,3)-KO(1,1)*NHS(3)*KO(2,3)+\n & KO(2,1)*NHS(3)*KO(1,3)-KO(2,1)*NHS(1)*KO(3,3)+\n & KO(3,1)*NHS(1)*KO(2,3)-KO(3,1)*NHS(2)*KO(1,3) \n \n DetK3 = KO(1,1)*KO(2,2)*NHS(3)-KO(1,1)*KO(3,2)*NHS(2)+\n & KO(2,1)*KO(3,2)*NHS(1)-KO(2,1)*KO(1,2)*NHS(3)+\n & KO(3,1)*KO(1,2)*NHS(2)-KO(3,1)*KO(2,2)*NHS(1) \n \n NHS(1) = DetK1/DetKO\n NHS(2) = DetK2/DetKO\n NHS(3) = DetK3/DetKO\n\nC******************************************************************************\nC*** Update the IC's for the Non-homogenious solutions and solve the system ***\nC******************************************************************************\n\n! Subtract the non-homogenious solution from the \n DO i = 1, NC\n B(i) = B(i)-NHS(i)\n END DO\n! Solve x for VR*x=B using Cramer's Rule\n\n DetEV = VR(1,1)*VR(2,2)*VR(3,3)-VR(1,1)*VR(3,2)*VR(2,3)+\n & VR(2,1)*VR(3,2)*VR(1,3)-VR(2,1)*VR(1,2)*VR(3,3)+\n & VR(3,1)*VR(1,2)*VR(2,3)-VR(3,1)*VR(2,2)*VR(1,3) \n \n DetE1 = B(1)*VR(2,2)*VR(3,3)-B(1)*VR(3,2)*VR(2,3)+\n & B(2)*VR(3,2)*VR(1,3)-B(2)*VR(1,2)*VR(3,3)+\n & B(3)*VR(1,2)*VR(2,3)-B(3)*VR(2,2)*VR(1,3) \n \n DetE2 = VR(1,1)*B(2)*VR(3,3)-VR(1,1)*B(3)*VR(2,3)+\n & VR(2,1)*B(3)*VR(1,3)-VR(2,1)*B(1)*VR(3,3)+\n & VR(3,1)*B(1)*VR(2,3)-VR(3,1)*B(2)*VR(1,3)\n \n DetE3 = VR(1,1)*VR(2,2)*B(3)-VR(1,1)*VR(3,2)*B(2)+\n & VR(2,1)*VR(3,2)*B(1)-VR(2,1)*VR(1,2)*B(3)+\n & VR(3,1)*VR(1,2)*B(2)-VR(3,1)*VR(2,2)*B(1) \n \n B(1) = DetE1/DetEV \n B(2) = DetE2/DetEV \n B(3) = DetE3/DetEV \n\n! update the surface array\n Hgm = 0.0\n Hgc = 0.0\n Hgs = 0.0\n\n DO i = 1, NC\n Hgm = Hgm + B(i) * VR(1,i) * DEXP( EIVAL(i) * dt )\n Hgc = Hgc + B(i) * VR(2,i) * DEXP( EIVAL(i) * dt )\n Hgs = Hgs + B(i) * VR(3,i) * DEXP( EIVAL(i) * dt )\n END DO\n\n Hgm = Hgm + NHS(1)\n Hgc = Hgc + NHS(2)\n Hgs = Hgs + NHS(3) \n \n IF ( Hgm .LT. 0.0 ) THEN\n\n XMSG = '*** Negative concentration in Hgm resetting it to zero ***'\n CALL M3WARN( PNAME, JDATE, JTIME, XMSG )\n Hgm = max(Hgm,0.0)\n\n END IF\n\n IF ( Hgc .LT. 0.0 ) THEN\n\n XMSG = '*** Negative concentration in Hgc resetting it to zero ***'\n CALL M3WARN( PNAME, JDATE, JTIME, XMSG )\n Hgc = max(Hgc, 0.0)\n\n END IF\n\n IF ( Hgs .LT. 0.0 ) THEN\n! This can happen when the soil moisture approaches zero limiting the Hg that \n! can evade from this source.\n XMSG = '*** Negative concentration in Hgs resetting it to zero flux condition ***'\n CALL M3WARN( PNAME, JDATE, JTIME, XMSG )\n WRITE(LOGDEV,*) 'wg :',wg_min, 'Hgs :', Hgs, 'H :',H\n WRITE(LOGDEV,*) 'Col :',c, 'Row :', r\n Hgs = CHgzo*H \n\n END IF\n\n IF ( Hgm .NE. Hgm .OR. Hgc .NE. Hgc .OR. Hgs .NE. Hgs ) THEN\n XMSG = '*** NaN in Hgs, Hgc, or Hgm ***'\n WRITE(LOGDEV,*) 'Col',c,'Row',r\n WRITE(LOGDEV,*) 'Hgm',Hgm,'Hgc',Hgc,'Hgs',Hgs\n WRITE(LOGDEV,*) 'B :',B\n WRITE(LOGDEV,*) 'NHS :',NHS\n WRITE(LOGDEV,*) 'KO :',KO\n WRITE(LOGDEV,*) 'cgHgII0: ',cgHgII0\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1)\n END IF\n\n CMEDIA( c,r,1 ) = 0.0 ! water\n CMEDIA( c,r,2 ) = 0.0 ! water\n CMEDIA( c,r,3 ) = Hgs\n CMEDIA( c,r,4 ) = CHgzo\n CMEDIA( c,r,5 ) = Hgm\n CMEDIA( c,r,6 ) = Hgc\n\n DEALLOCATE( KO, VR, EIVAL )\n\n DEALLOCATE( B, NHS )\n\n RETURN\n\n END SUBROUTINE ATX\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\nC::::::: Air surface water exchange subroutine :::::::::::::::::::::::::::\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n\n SUBROUTINE ASWX( Hg, HgIIgas, vdHg, vdHgII, awhg,\n & dpvd, c, r, JDATE, JTIME, TSTEP )\n\n USE HGRD_DEFN ! horizontal grid specifications\n USE DEPVVARS\n USE UTILIO_DEFN\n USE BIDI_MOD\n USE ASX_DATA_MOD\n\nC Includes:\n\n! INCLUDE SUBST_CONST ! constants\n INCLUDE SUBST_FILES_ID ! file name parameters\n\n INTEGER, INTENT( IN ) :: JDATE\n INTEGER, INTENT( IN ) :: JTIME\n INTEGER, INTENT( IN ) :: TSTEP\n REAL, INTENT( IN ) :: Hg\n REAL, INTENT( IN ) :: HgIIgas\n REAL, INTENT( IN ) :: vdHg\n REAL, INTENT( IN ) :: vdHgII\n REAL, INTENT( IN ) :: awhg\n REAL, INTENT( OUT ) :: dpvd\n INTEGER, INTENT( IN ) :: c\n INTEGER, INTENT( IN ) :: r\n\n CHARACTER( 16 ), PARAMETER :: pname = 'ASWX'\n\nC*************************** Ocean box parameters ***********************\n REAL(8), PARAMETER :: satten = 7.58d-1\nC*************************** Model concentrations ***********************\n REAL(8), SAVE :: cDGM\n REAL(8), SAVE :: cHgIIaq\nC***** reduction and partioning terms from Whalin et al 2007 ************\n REAL(8), PARAMETER :: rref = 240d+0 ! referance incoming radiation\n ! for redox measurements (w/m2)\n REAL(8), PARAMETER :: kphot = 6.5d-4 ! drm photoreduction rate 1/s\n REAL(8), PARAMETER :: kox = 7.2d-4 ! dgm photo-oxidation rate 1/s\nC********* Intermediate concentration variables *********************\n REAL(8), SAVE :: DGM\n REAL(8), SAVE :: DRM\n\n\n IF (INIT_ASX ) THEN\n cDGM = Hg*awhg*3 ! assume 3x eq con.\n cHgIIaq = 3.57e-6 ! from Whalin et al 2007\n ELSE\n cDGM = CMEDIA( c,r,1 )\n cHgIIaq = CMEDIA( c,r,2 )\n END IF\n\n dt = TSTEP\n\n dpvd = cDGM * vdHg/awhg\n\n IF ( Met_Data%RGRND(c,r) .LT. 1e-3 ) THEN\nC the aqueous elemental and divalent Hg pools become decoupled and the\nC matrices become singular warrenting an alternative solution\n\nC Find a simple one box solution for elemental Hg\n\n DGM = Hg*awhg + (cDGM - Hg*awhg)*DEXP(-vdHg/(ZSURF*awhg)*dt)\n\nC in the absence of photo-redox reactions divalent Hg accumulates\n DRM = cHgIIaq + vdHgII/ZSURF*HgIIgas*dt\n\n ELSE\n\n NC = 2\n\n ALLOCATE ( KO(NC,NC), VR(NC,NC), EIVAL(NC) )\n\n KO = 0.0D0\n\nC 240 w/m**2 is the 'typical light spectrum' from Whalin et al 2007 Marine Chem.\nC attenuation at 1 m = 1/K (1-exp(-K Z)) = 0.758 using a K of 0.58\n\n\n KO( 1,1 ) = -vdhg / ( ZSURF * awhg )\n & -kox * satten * Met_Data%RGRND(c,r)/rref\n KO( 1,2 ) = kphot * satten * Met_Data%RGRND(c,r)/rref\n KO( 2,1 ) = kox * satten * Met_Data%RGRND(c,r)/rref\n KO( 2,2 ) = -kphot * satten * Met_Data%RGRND(c,r)/rref\n\n ALLOCATE( NHS(NC))\n\n NHS = 0.0\n\n NHS(1) = -vdHg/ZSURF*HG\n NHS(2) = -vdHgII/ZSURF*HgIIgas\n\n ALLOCATE( B(NC))\n\n B = 0.0\n\n B( 1 ) = REAL( cDGM, 8) \n B( 2 ) = REAL( cHgIIaq, 8)\n\n\nC*****************************************************************************\n! Get eigen values and vectors where the cubic equation is:\n! ax*lambda**2+bx*lambda+cx = 0\n! and is solved following Numerical recipies for Fortran equations 5.6.2-5.6.5\nC*****************************************************************************\n\n ax = 1.0D0\n bx = -(KO(1,1)+KO(2,2))\n cx = KO(1,1)*KO(2,2)-KO(1,2)*KO(2,1)\n \n Qx = -5.0D-1*(bx+SIGN(1.0D0,bx)*DSQRT(bx**2-4.0D0*ax*cx))\n \n EIVAL(1) = Qx/ax\n EIVAL(2) = cx/Qx\n \n! Solve for the eigenvectors\n DO i = 1, NC\n ev1 = 1.0D0\n ev2 = -(KO(2,1)*ev1)/(KO(2,2)-EIVAL(i))\n evmax = max(abs(ev1),abs(ev2))\n! scale the eigenvector\n VR(1,i) = ev1/evmax\n VR(2,i) = ev2/evmax\n END DO\n\nC******************************************************************************\nC******* Do the non homogenious part ******************************************\nC******************************************************************************\n\n! solve for x in KO*x = NHS using Cramer's Rule\n\n DetKO = KO(1,1)*KO(2,2)-KO(1,2)*KO(2,1) \n \n DetK1 = NHS(1)*KO(2,2)-NHS(2)*KO(1,2)\n DetK2 = NHS(2)*KO(1,1)-NHS(1)*KO(2,1)\n \n NHS(1) = DetK1/DetKO\n NHS(2) = DetK2/DetKO \n\nC******************************************************************************\nC*** Update the IC's for the Non-homogenious solutions and solve the system ***\nC******************************************************************************\n\n DO i = 1, NC\n B(i) = B(i) - NHS(i)\n END DO\n\n! Solve for x in VR*x=B using Cramer's Rule\n\n DetEV = VR(1,1)*VR(2,2)-VR(1,2)*VR(2,1)\n \n DetE1 = B(1)*VR(2,2)-B(2)*VR(1,2) \n DetE2 = B(2)*VR(1,1)-B(1)*VR(2,1)\n \n B(1) = DetE1/DetEV\n B(2) = DetE2/DetEV\n\n! update the surface array\n DGM = 0.0D0\n DRM = 0.0D0\n\n DO i = 1, NC\n DGM = DGM + B(i) * VR(1,i) * DEXP( EIVAL(i) * dt )\n DRM = DRM + B(i) * VR(2,i) * DEXP( EIVAL(i) * dt )\n END DO\n\n DGM = DGM + NHS(1)\n DRM = DRM + NHS(2)\n \n DEALLOCATE( KO, VR, EIVAL )\n\n DEALLOCATE( B, NHS )\n\n END IF \n \n IF ( DGM .LT. 0.0 .OR. DRM .LT. 0.0 ) THEN\n \n XMSG = '*** Negative concentration ***' \n WRITE(LOGDEV,*) 'awhg',awhg,'HG',HG\n WRITE(LOGDEV,*) 'DGM',DGM,'DRM',DRM \n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n\n END IF \n\n CMEDIA( c,r,1 ) = DGM\n CMEDIA( c,r,2 ) = DRM\n CMEDIA( c,r,3 ) = 0.0 ! land\n CMEDIA( c,r,4 ) = 0.0 ! land\n CMEDIA( c,r,5 ) = 0.0 ! land\n CMEDIA( c,r,6 ) = 0.0 ! land\n\n RETURN\n\n END SUBROUTINE ASWX\n\nC------------------------------------------------------------------------------\n\n SUBROUTINE GET_WDEP( CSE, WDEP, C, R )\n\n Use ASX_DATA_MOD, Only: Grid_Data\n USE BIDI_MOD, Only: CMedia\n\n IMPLICIT NONE\n\n INCLUDE SUBST_CONST ! constants\n\n CHARACTER( 8 ), INTENT( IN ) :: CSE ! wet dep sepcies\n REAL, INTENT( IN ) :: WDEP ! wet deposition in kg/ha\n INTEGER, INTENT( IN ) :: C\n INTEGER, INTENT( IN ) :: R\n REAL, PARAMETER :: HAOM2 = 1.0e-4 ! ha/m^2 conversion\n REAL, PARAMETER :: MWHG = 200.59 ! molecular weight of Hg\n REAL, PARAMETER :: UGOKG = 1.0e9 ! ug/kg conversion\n REAL, PARAMETER :: GH2ONM3 = 1.0e6 ! g H2O in M^3 H2O\n REAL WDEP_LOAD ! loading due to wet deposition\n\n\n IF ( NINT( Grid_Data%lwmask( c,r ) ) .EQ. 0 ) THEN ! water\n\n ! convert to umol/m2 pulse input\n WDEP_LOAD = WDEP*HAOM2*UGOKG/MWHG\n ! convert to added concentration in ppm assuming it remains at the surface\n WDEP_LOAD = WDEP_LOAD/ZSURF/GH2ONM3*MWWAT\n\n IF( CSE .EQ. 'HG ' ) THEN\n\n CMEDIA( C,R,1 ) = CMEDIA( C,R,1 ) + WDEP_LOAD\n\n END IF\n\n IF( CSE .EQ. 'HGIIGAS ' ) THEN\n\n CMEDIA( C,R,2 ) = CMEDIA( C,R,2 ) + WDEP_LOAD\n\n END IF\n\n END IF ! water\n\n RETURN\n\n END SUBROUTINE GET_WDEP\n END MODULE HGSIM\n" }, { "path": "CCTM/src/depv/m3dry/LSM_MOD.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/work/rep/arc/CCTM/src/depv/m3dry/LSM_MOD.F,v 1.5 2012/01/19 14:23:58 yoj Exp $\n\nC::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n Module LSM_Mod\n \nC------------------------------------------------------------------------------\nC Revision History: \nC June 16 11 Created by J. Bash\nC April 19 12 J. Bash Updated the LU_FAC data arrays to be a function\nC of the annual total N deposition following \nC Massad et al 2010 doi:10.5194/acp-10-10359-2010\nC The annual 2002 deposition filed from a previous bi-\nC directional model run using values ~ 100 was used. \nC The model is not very sensitive to this paramater\nC and using different annual deposition fileds would\nC result in small changes. \nC Sept 12 12 D. Schwede Added NLCD40 land use classification.\nC Also some changes made to values in tables for NLCD50.\nC Maintain compatability with previous versions of MCIP and detect NLCD-MODIS\nC as the same as NLCD50\nC Nov 5 12 D. Schwede Modified albedo for NLCD pasture and grass categories so that they are more\nC consistent with the MODIS and USGS values\nC Apr 4 13 J. Bash Added general water, forest, shrub, grass, snow/ice, \nC agricultural land use classification in a land use type \nC to simplify how bidirecitonal NH3 code handles different \nC land use data sets. \nC Aug 22 14 J. Bash Moved all the data to defined data types for easier updates and data access. \nC June 2018 j. pleim Removed all LSM specific data\nC Feb. 2019 D. Wong Implemented centralized I/O approach\nC 25 Jul 19 D.Wong Based on logical variable WRF_V4P defined in RUNTIME_VARS to handle\nC various number of soil type from different WRF version\nC------------------------------------------------------------------------------\n \n Implicit None\n\n INTEGER, PARAMETER :: N_SOIL_TYPE_WRFV4P = 16\n INTEGER, PARAMETER :: N_SOIL_TYPE_WRFV3 = 11\n INTEGER :: N_SOIL_TYPE\n \n REAL, ALLOCATABLE :: wwlt (:)\n REAL, ALLOCATABLE :: wsat (:)\n REAL, ALLOCATABLE :: bslp (:)\n REAL, ALLOCATABLE :: wres (:)\n REAL, ALLOCATABLE :: wfc (:)\n REAL, ALLOCATABLE :: rhob (:)\n\n REAL, SAVE, ALLOCATABLE :: LUF_FAC ( : )\n REAL, SAVE, ALLOCATABLE :: HGLU_FAC ( : )\n INTEGER, SAVE :: n_lufrac\n CHARACTER( 80 ), SAVE :: LAND_SCHEME\n CHARACTER( 16 ), SAVE, ALLOCATABLE :: cat_lu( : )\n CHARACTER( 16 ), SAVE, ALLOCATABLE :: name_lu( : )\n\n\n INTEGER, PRIVATE, PARAMETER :: n_modis = 20\n INTEGER, PRIVATE, PARAMETER :: n_nlcd50 = 50\n INTEGER, PRIVATE, PARAMETER :: n_nlcd40 = 40\n INTEGER, PRIVATE, PARAMETER :: n_usgs = 24\n INTEGER, PRIVATE :: ALLOCSTAT\n \n TYPE lu_type\n CHARACTER( 16 ) :: name\n CHARACTER( 16 ) :: lu_cat\n REAL :: LUF_FAC ! NH3 bidi stomatal gamma\n REAL :: HGLU_FAC ! Hg bidi soil conc\n END TYPE lu_type\n\n\nC-------------------------------------------------------------------------------\nC Soil Characteristics by Type for WRFV38\nC\nC # SOIL TYPE WSAT WFC WWLT BSLP CGSAT JP AS C2R C1SAT WRES\nC _ _________ ____ ___ ____ ____ _____ ___ ___ ___ _____ ____\nC 1 SAND .395 .135 .068 4.05 3.222 4 .387 3.9 .082 .020\nC 2 LOAMY SAND .410 .150 .075 4.38 3.057 4 .404 3.7 .098 .035\nC 3 SANDY LOAM .435 .195 .114 4.90 3.560 4 .219 1.8 .132 .041\nC 4 SILT LOAM .485 .255 .179 5.30 4.418 6 .105 0.8 .153 .015\nC 5 LOAM .451 .240 .155 5.39 4.111 6 .148 0.8 .191 .027\nC 6 SND CLY LM .420 .255 .175 7.12 3.670 6 .135 0.8 .213 .068\nC 7 SLT CLY LM .477 .322 .218 7.75 3.593 8 .127 0.4 .385 .040\nC 8 CLAY LOAM .476 .325 .250 8.52 3.995 10 .084 0.6 .227 .075\nC 9 SANDY CLAY .426 .310 .219 10.40 3.058 8 .139 0.3 .421 .109\nC 10 SILTY CLAY .482 .370 .283 10.40 3.729 10 .075 0.3 .375 .056\nC 11 CLAY .482 .367 .286 11.40 3.600 12 .083 0.3 .342 .090\nC\nC-------------------------------------------------------------------------------\n!-- WSAT is saturated soil moisture (M^3/M^3) (JN90)\n REAL, PARAMETER :: WSAT_WRFV3(N_SOIL_TYPE_WRFV3) = \n & (/ 0.395, 0.410, 0.435, 0.485, 0.451, 0.420, 0.477,\n & 0.476, 0.426, 0.482, 0.482 /)\n!-- WFC is soil field capacity (Rawls et al 1982) \n REAL, PARAMETER :: WFC_WRFV3(N_SOIL_TYPE_WRFV3) =\n & (/ 0.135, 0.150, 0.195, 0.255, 0.240, 0.255, 0.322,\n & 0.325, 0.310, 0.370, 0.367 /)\n!-- WWLT is wilting point (M^3/M^3) (JN90)\n REAL, PARAMETER :: WWLT_WRFV3(N_SOIL_TYPE_WRFV3) =\n & (/ 0.068, 0.075, 0.114, 0.179, 0.155, 0.175, 0.218,\n & 0.250, 0.219, 0.283, 0.286 /)\n!-- B is slop of the retention curve (NP89)\n REAL, PARAMETER :: BSLP_WRFV3(N_SOIL_TYPE_WRFV3) =\n & (/ 4.05, 4.38, 4.90, 5.30, 5.39, 7.12, 7.75,\n & 8.52, 10.40, 10.40, 11.40 /)\n!-- WRES is residual soil moisture (Rawls et al 1982)\n REAL, PARAMETER :: WRES_WRFV3(N_SOIL_TYPE_WRFV3) =\n & (/ 0.020, 0.035, 0.041, 0.015, 0.027, 0.068, 0.040,\n & 0.075, 0.109, 0.056, 0.090 /)\n! -- RHOB is the soil bulk dnesity following Lyons et al 1997 \n REAL, PARAMETER :: RHOB_WRFV3(N_SOIL_TYPE_WRFV3) =\n & (/ 1.59e6, 1.55e6, 1.53e6, 1.53e6, 1.55e6, 1.62e6, 1.67e6,\n & 1.66e6, 1.83e6, 1.78e6, 1.83e6 /)\n\nC-------------------------------------------------------------------------------\nC Soil Characteristics by Type for WRF4+\nC\nC # SOIL TYPE WSAT WFC WWLT BSLP CGSAT JP AS C2R C1SAT WRES\nC _ _________ ____ ___ ____ ____ _____ ___ ___ ___ _____ ____\nC 1 SAND .395 .135 .068 4.05 3.222 4 .387 3.9 .082 .020\nC 2 LOAMY SAND .410 .150 .075 4.38 3.057 4 .404 3.7 .098 .035\nC 3 SANDY LOAM .435 .195 .114 4.90 3.560 4 .219 1.8 .132 .041\nC 4 SILT LOAM .485 .255 .179 5.30 4.418 6 .105 0.8 .153 .015\nC 5 SILT .480 .260 .150 5.30 4.418 6 .105 0.8 .153 .020\nC 6 LOAM .451 .240 .155 5.39 4.111 6 .148 0.8 .191 .027\nC 7 SND CLY LM .420 .255 .175 7.12 3.670 6 .135 0.8 .213 .068\nC 8 SLT CLY LM .477 .322 .218 7.75 3.593 8 .127 0.4 .385 .040\nC 9 CLAY LOAM .476 .325 .250 8.52 3.995 10 .084 0.6 .227 .075\nC 10 SANDY CLAY .426 .310 .219 10.40 3.058 8 .139 0.3 .421 .109\nC 11 SILTY CLAY .482 .370 .283 10.40 3.729 10 .075 0.3 .375 .056\nC 12 CLAY .482 .367 .286 11.40 3.600 12 .083 0.3 .342 .090\nC 13 ORGANICMAT .451 .240 .155 5.39 4.111 6 .148 0.8 .191 .027\nC 14 WATER .482 .367 .286 11.40 3.600 12 .083 0.3 .342 .090\nC 15 BEDROCK .482 .367 .286 11.40 3.600 12 .083 0.3 .342 .090\nC 16 OTHER .420 .255 .175 7.12 3.670 6 .135 0.8 .213 .068\nC-------------------------------------------------------------------------------\n\n!-- WSAT is saturated soil moisture (M^3/M^3) (JN90)\n REAL, PARAMETER :: WSAT_WRFV4P(N_SOIL_TYPE_WRFV4P) = \n & (/ 0.395, 0.410, 0.435, 0.485, 0.480, 0.451, 0.420, 0.477,\n & 0.476, 0.426, 0.482, 0.482, 0.451, 0.482, 0.482, 0.420 /)\n!-- WFC is soil field capacity (Rawls et al 1982) \n REAL, PARAMETER :: WFC_WRFV4P(N_SOIL_TYPE_WRFV4P) = \n & (/ 0.135, 0.150, 0.195, 0.255, 0.260, 0.240, 0.255, 0.322,\n & 0.325, 0.310, 0.370, 0.367, 0.240, 0.367, 0.367, 0.255 /)\n!-- WWLT is wilting point (M^3/M^3) (JN90)\n REAL, PARAMETER :: WWLT_WRFV4P(N_SOIL_TYPE_WRFV4P) = \n & (/ 0.068, 0.075, 0.114, 0.179, 0.150, 0.155, 0.175, 0.218,\n & 0.250, 0.219, 0.283, 0.286, 0.155, 0.286, 0.286, 0.175 /)\n!-- B is slop of the retention curve (NP89)\n REAL, PARAMETER :: BSLP_WRFV4P(N_SOIL_TYPE_WRFV4P) = \n & (/ 4.05, 4.38, 4.90, 5.30, 5.30, 5.39, 7.12, 7.75,\n & 8.52, 10.40, 10.40, 11.40, 5.39, 11.40, 11.40, 7.12 /)\n!-- WRES is residual soil moisture (Rawls et al 1982)\n REAL, PARAMETER :: WRES_WRFV4P(N_SOIL_TYPE_WRFV4P) = \n & (/ 0.020, 0.035, 0.041, 0.015, 0.020, 0.027, 0.068, 0.040,\n & 0.075, 0.109, 0.056, 0.090, 0.027, 0.090, 0.090, 0.068 /)\n! -- RHOB is the soil bulk dnesity following Lyons et al 1997 \n REAL, PARAMETER :: RHOB_WRFV4P(N_SOIL_TYPE_WRFV4P) = \n & (/ 1.59e6, 1.55e6, 1.53e6, 1.53e6, 1.53e6, 1.55e6, 1.62e6, 1.67e6,\n & 1.66e6, 1.83e6, 1.78e6, 1.83e6, 1.62e6, 1.83e6, 1.83e6, 1.67e6 /)\n\n\n!*****************************************************************************\n!*****************************************************************************\n! MODIS-ONLY (1XX)/MODIS (2XX) LU characterization ... reclassified by NCEP\n!-------------------------------------------------------------------------------\n \n TYPE( lu_type ),PRIVATE, PARAMETER :: MODIS( n_modis ) = (/\n! -Name--- -LU cat - LUF_FAC HGLU_FAC Cat Desc.\n & lu_type('NCEP_1 ', 'EVEFOR ', 246.0, 40.0), ! 1 Evergreen Needleleaf Forest\n & lu_type('NCEP_2 ', 'EVEFOR ', 247.0, 130.0), ! 2 Evergreen Broadleaf Forest\n & lu_type('NCEP_3 ', 'DECFOR ', 267.0, 81.0), ! 3 Deciduous Needleleaf Forest\n & lu_type('NCEP_4 ', 'DECFOR ', 268.0, 81.0), ! 4 Deciduous Broadleaf Forest \n & lu_type('NCEP_5 ', 'MIXFOR ', 252.0, 139.0), ! 5 Mixed Forest\n & lu_type('NCEP_6 ', 'SHRUB ', 246.0, 125.0), ! 6 Closed Shrublands\n & lu_type('NCEP_7 ', 'SHRUB ', 246.0, 125.0), ! 7 Open Shrublands\n & lu_type('NCEP_8 ', 'MIXFOR ', 246.0, 125.0), ! 8 Woody Savanna\n & lu_type('NCEP_9 ', 'MIXFOR ', 246.0, 125.0), ! 9 Savanna\n & lu_type('NCEP_10', 'GRASS ', 247.0, 20.0), ! 10 Grasslands\n & lu_type('NCEP_11', 'WETLAND', 260.0, 125.0), ! 11 Perminent Wetlands\n & lu_type('NCEP_12', 'AG ', 340.0, 81.0), ! 12 Croplands \n & lu_type('NCEP_13', 'BUILT ', 338.0, 190.0), ! 13 Urban and Built-up \n & lu_type('NCEP_14', 'AGMOS ', 298.0, 50.0), ! 14 Crop/Natural Mosaic\n & lu_type('NCEP_15', 'SNOWICE', 0.0, 0.0), ! 15 Snow and Ice \n & lu_type('NCEP_16', 'BARREN ', 246.0, 125.0), ! 16 Sparsely Vegetated\n & lu_type('NCEP_17', 'WATER ', 0.0, 0.0), ! 17 IGBP water\n & lu_type('NCEP_18', 'EVEFOR ', 246.0, 62.0), ! 18 Wooded Tundra \n & lu_type('NCEP_19', 'SHRUB ', 246.0, 62.0), ! 19 Mixed Tundra\n & lu_type('NCEP_20', 'GRASS ', 246.0, 18.0)/) ! 20 Barren Tundra\n\n!****************************************************************************************\n!****************************************************************************************\n! 50 CLASS NLCD (US only, cats 1-30)/MODIS (Outside US, cats 31-50) LU characterization\n!---------------------------------------------------------------------------------------\n\n TYPE( lu_type ),PRIVATE, PARAMETER :: NLCD50( n_nlcd50 ) = (/\n! -Name--- -LU cat - LUF_FAC HGLU_FAC Cat Desc.\n & lu_type('NLCD_11 ', 'WATER ', 0.0, 0.0), ! 1 Open water\n & lu_type('NLCD_12 ', 'SNOWICE', 0.0, 0.0), ! 2 Perennial Ice/snow\n & lu_type('NLCD_21 ', 'BUILT ', 312.0, 130.0), ! 3 Developed, Open space\n & lu_type('NLCD_22 ', 'BUILT ', 305.0, 150.0), ! 4 Developed, Low Intensity\n & lu_type('NLCD_23 ', 'BUILT ', 331.0, 170.0), ! 5 Developed, Medium Intensity\n & lu_type('NLCD_24 ', 'BUILT ', 402.0, 190.0), ! 6 Developed, High Intensity\n & lu_type('NLCD_31 ', 'BARREN ', 246.0, 125.0), ! 7 Barren land\n & lu_type('NLCD_32 ', 'BARREN ', 248.0, 0.0), ! 8 Unconsolidated Shore\n & lu_type('NLCD_41 ', 'DECFOR ', 274.0, 81.0), ! 9 Deciduous Forest\n & lu_type('NLCD_42 ', 'EVEFOR ', 246.0, 81.0), ! 10 Evergreen Forest\n & lu_type('NLCD_43 ', 'MIXFOR ', 254.0, 139.0), ! 11 Mixed Forest\n & lu_type('NLCD_51 ', 'SHRUB ', 246.0, 73.0), ! 12 Dwarf Scrub\n & lu_type('NLCD_52 ', 'SHRUB ', 246.0, 125.0), ! 13 Shrub/Scrub\n & lu_type('NLCD_71 ', 'GRASS ', 247.0, 20.0), ! 14 Grassland/Herbaceous\n & lu_type('NLCD_72 ', 'GRASS ', 246.0, 125.0), ! 15 Sedge/Herbaceous\n & lu_type('NLCD_73 ', 'BARREN ', 0.0, 18.0), ! 16 Lichens\n & lu_type('NLCD_74 ', 'BARREN ', 0.0, 18.0), ! 17 Moss\n & lu_type('NLCD_75 ', 'BARREN ', 246.0, 62.0), ! 18 Tundra\n & lu_type('NLCD_81 ', 'AG ', 344.0, 50.0), ! 19 Pasture/Hay\n & lu_type('NLCD_82 ', 'AG ', 340.0, 80.0), ! 20 Cultivated Crops \n & lu_type('NLCD_90 ', 'WETLAND', 271.0, 125.0), ! 21 Woody Wetland\n & lu_type('NLCD_91 ', 'WETLAND', 267.0, 125.0), ! 22 Palustrine Forested Wetland \n & lu_type('NLCD_92 ', 'WETLAND', 254.0, 125.0), ! 23 Palustrine Shrub Wetland \n & lu_type('NLCD_93 ', 'WETLAND', 267.0, 125.0), ! 24 Estuarine Forested Wetland \n & lu_type('NLCD_94 ', 'WETLAND', 267.0, 125.0), ! 25 Estuarine Shrub Wetland \n & lu_type('NLCD_95 ', 'WETLAND', 248.0, 125.0), ! 26 Emergent Herbaceous Wetland \n & lu_type('NLCD_96 ', 'WETLAND', 269.0, 125.0), ! 27 Palustrine Emergent Wetland \n & lu_type('NLCD_97 ', 'WETLAND', 262.0, 125.0), ! 28 Estuarine Emergent Wetland \n & lu_type('NLCD_98 ', 'WETLAND', 277.0, 125.0), ! 29 Palustrine Aquatic Bed\n & lu_type('NLCD_99 ', 'WETLAND', 247.0, 125.0), ! 30 Estuarine Aquatic Bed \n & lu_type('MODIS_0 ', 'WATER ', 0.0, 0.0), ! 31 Open water (mapped to 1)\n & lu_type('MODIS_1 ', 'EVEFOR ', 246.0, 40.0), ! 32 Evergreen Needleleaf Forest\n & lu_type('MODIS_2 ', 'EVEFOR ', 247.0, 130.0), ! 33 Evergreen Broadleaf Forest\n & lu_type('MODIS_3 ', 'DECFOR ', 267.0, 81.0), ! 34 Deciduous Needleleaf Forest\n & lu_type('MODIS_4 ', 'DECFOR ', 268.0, 81.0), ! 35 Deciduous Broadleaf Forest \n & lu_type('MODIS_5 ', 'MIXFOR ', 252.0, 139.0), ! 36 Mixed Forest\n & lu_type('MODIS_6 ', 'SHRUB ', 246.0, 125.0), ! 37 Closed Shrublands\n & lu_type('MODIS_7 ', 'SHRUB ', 246.0, 125.0), ! 38 Open Shrublands\n & lu_type('MODIS_8 ', 'MIXFOR ', 246.0, 125.0), ! 39 Woody Savanna\n & lu_type('MODIS_9 ', 'MIXFOR ', 246.0, 125.0), ! 40 Savanna\n & lu_type('MODIS_10 ', 'GRASS ', 247.0, 20.0), ! 41 Grasslands\n & lu_type('MODIS_11 ', 'WETLAND', 260.0, 125.0), ! 42 Perminent Wetlands\n & lu_type('MODIS_12 ', 'AG ', 340.0, 81.0), ! 43 Croplands \n & lu_type('MODIS_13 ', 'BUILT ', 338.0, 190.0), ! 44 Urban and Built-up \n & lu_type('MODIS_14 ', 'AGMOS ', 298.0, 50.0), ! 45 Crop/Natural Mosaic\n & lu_type('MODIS_15 ', 'SNOWICE', 0.0, 0.0), ! 46 Snow and Ice \n & lu_type('MODIS_16 ', 'BARREN ', 246.0, 125.0), ! 47 Sparsely Vegetated\n & lu_type('MODIS_0 ', 'WATER ', 0.0, 0.0), ! 48 IGBP water\n & lu_type('MODIS_255', 'SNOWICE', 0.0, 0.0), ! 49 unclassified \n & lu_type('MODIS_255', 'WATER ', 0.0, 0.0)/) ! 50 fill (normally ocean water) \n \n!****************************************************************************************\n!****************************************************************************************\n! 40 CLASS MODIS (Outside US, cats 1-20)/NLCD (US only, cats 21-40) LU characterization\n!-------------------------------------------------------------------------------\n\n TYPE( lu_type ),PRIVATE, PARAMETER :: NLCD40( n_nlcd40 ) = (/\n! -Name--- -LU cat - LUF_FAC HGLU_FAC Cat Desc.\n & lu_type('MODIS_1 ', 'EVEFOR ', 246.0, 40.0), ! 1 Evergreen Needleleaf Forest\n & lu_type('MODIS_2 ', 'EVEFOR ', 247.0, 130.0), ! 2 Evergreen Broadleaf Forest\n & lu_type('MODIS_3 ', 'DECFOR ', 267.0, 81.0), ! 3 Deciduous Needleleaf Forest\n & lu_type('MODIS_4 ', 'DECFOR ', 268.0, 81.0), ! 4 Deciduous Broadleaf Forest \n & lu_type('MODIS_5 ', 'MIXFOR ', 252.0, 139.0), ! 5 Mixed Forest\n & lu_type('MODIS_6 ', 'SHRUB ', 246.0, 125.0), ! 6 Closed Shrublands\n & lu_type('MODIS_7 ', 'SHRUB ', 246.0, 125.0), ! 7 Open Shrublands\n & lu_type('MODIS_8 ', 'MIXFOR ', 246.0, 125.0), ! 8 Woody Savanna\n & lu_type('MODIS_9 ', 'MIXFOR ', 246.0, 125.0), ! 9 Savanna\n & lu_type('MODIS_10 ', 'GRASS ', 247.0, 20.0), ! 10 Grasslands\n & lu_type('MODIS_11 ', 'WETLAND', 260.0, 125.0), ! 11 Perminent Wetlands\n & lu_type('MODIS_12 ', 'AG ', 340.0, 81.0), ! 12 Croplands \n & lu_type('MODIS_13 ', 'BUILT ', 338.0, 190.0), ! 13 Urban and Built-up \n & lu_type('MODIS_14 ', 'AGMOS ', 298.0, 50.0), ! 14 Crop/Natural Mosaic\n & lu_type('MODIS_15 ', 'SNOWICE', 0.0, 0.0), ! 15 Snow and Ice \n & lu_type('MODIS_16 ', 'BARREN ', 246.0, 125.0), ! 16 Sparsely Vegetated\n & lu_type('MODIS_0 ', 'WATER ', 0.0, 0.0), ! 17 IGBP water\n & lu_type('MODIS_255', 'WATER ', 0.0, 0.0), ! 18 unclassified \n & lu_type('MODIS_255', 'WATER ', 0.0, 0.0), ! 19 fill (normally ocean water)\n & lu_type('MODIS_255', 'WATER ', 0.0, 0.0), ! 20 unclassified \n & lu_type('NLCD_11 ', 'WATER ', 0.0, 0.0), ! 21 Open water\n & lu_type('NLCD_12 ', 'SNOWICE', 0.0, 0.0), ! 22 Perennial Ice/snow\n & lu_type('NLCD_21 ', 'BUILT ', 312.0, 130.0), ! 23 Developed, Open space\n & lu_type('NLCD_22 ', 'BUILT ', 305.0, 150.0), ! 24 Developed, Low Intensity\n & lu_type('NLCD_23 ', 'BUILT ', 331.0, 170.0), ! 25 Developed, Medium Intensity\n & lu_type('NLCD_24 ', 'BUILT ', 402.0, 190.0), ! 26 Developed, High Intensity\n & lu_type('NLCD_31 ', 'BARREN ', 246.0, 125.0), ! 27 Barren land\n & lu_type('NLCD_41 ', 'DECFOR ', 274.0, 81.0), ! 28 Deciduous Forest\n & lu_type('NLCD_42 ', 'EVEFOR ', 246.0, 81.0), ! 29 Evergreen Forest\n & lu_type('NLCD_43 ', 'MIXFOR ', 254.0, 139.0), ! 30 Mixed Forest\n & lu_type('NLCD_51 ', 'SHRUB ', 246.0, 73.0), ! 31 Dwarf Scrub\n & lu_type('NLCD_52 ', 'SHRUB ', 246.0, 125.0), ! 32 Shrub/Scrub\n & lu_type('NLCD_71 ', 'GRASS ', 247.0, 20.0), ! 33 Grassland/Herbaceous\n & lu_type('NLCD_72 ', 'GRASS ', 246.0, 125.0), ! 34 Sedge/Herbaceous\n & lu_type('NLCD_73 ', 'BARREN ', 0.0, 18.0), ! 35 Lichens\n & lu_type('NLCD_74 ', 'BARREN ', 0.0, 18.0), ! 36 Moss\n & lu_type('NLCD_81 ', 'AG ', 344.0, 50.0), ! 37 Pasture/Hay\n & lu_type('NLCD_82 ', 'AG ', 340.0, 80.0), ! 38 Cultivated Crops \n & lu_type('NLCD_90 ', 'WETLAND', 271.0, 125.0), ! 39 Woody Wetland \n & lu_type('NLCD_95 ', 'WETLAND', 248.0, 125.0)/) ! 40 Emergent Herbaceous Wetland\n\n!*****************************************************************************\n!*****************************************************************************\n! USGS LU characterization -- note below may not match those for the same category in a diff\n! classification system. This was done to maintain compatibility with MM5. \n!----------------------------------------------------------------------------- \n\n TYPE( lu_type ), PRIVATE, PARAMETER :: USGS24( n_usgs ) = (/\n! ---Name--- -LU cat - LUF_FAC HGLU_FAC Cat Desc.\n & lu_type('USGS_Urban', 'BUILT ', 338.0, 190.0), ! 1 Urban or Built-up Land\n & lu_type('USGS_DrCrp', 'AG ', 340.0, 80.0), ! 2 Dryland Crop and Pasture\n & lu_type('USGS_IrCrp', 'AG ', 340.0, 32.0), ! 3 Irr. Cropland and Pasture\n & lu_type('USGS_MixCp', 'AG ', 340.0, 56.0), ! 4 Mixed Dry/Irr Crop and Past\n & lu_type('USGS_CrGrM', 'AGMOS ', 298.0, 50.0), ! 5 Grassland/Cropland Mosaic\n & lu_type('USGS_CrWdM', 'AGMOS ', 298.0, 26.0), ! 6 Woodland/Cropland Mosaic\n & lu_type('USGS_GrsLd', 'GRASS ', 247.0, 20.0), ! 7 Grassland\n & lu_type('USGS_ShrLd', 'SHRUB ', 246.0, 125.0), ! 8 Shrubland\n & lu_type('USGS_ShrGr', 'SHRUB ', 246.0, 73.0), ! 9 Mixed Shrubland/Grassland\n & lu_type('USGS_Savan', 'MIXFOR ', 246.0, 51.0), ! 10 Savanna\n & lu_type('USGS_DBFst', 'DECFOR ', 268.0, 81.0), ! 11 Broadleaf Deciduous Forest\n & lu_type('USGS_DNFst', 'DECFOR ', 267.0, 81.0), ! 12 Deciduous Coniferous Forest\n & lu_type('USGS_EBFst', 'EVEFOR ', 247.0, 130.0), ! 13 Evergreen Broadleaf Forest\n & lu_type('USGS_ENFst', 'EVEFOR ', 246.0, 40.0), ! 14 Evergreen Coniferous Forest\n & lu_type('USGS_MxFst', 'MIXFOR ', 252.0, 139.0), ! 15 Mixed forest\n & lu_type('USGS_Water', 'WATER ', 0.0, 0.0), ! 16 Water\n & lu_type('USGS_HWtld', 'WETLAND ', 248.0, 125.0), ! 17 Herbaceous Wetland\n & lu_type('USGS_WWtld', 'WETLAND ', 260.0, 125.0), ! 18 Forested Wetlands\n & lu_type('USGS_BarSp', 'BARREN ', 246.0, 26.0), ! 19 Barren or Sparsely Vegetated\n & lu_type('USGS_HrTun', 'GRASS ', 246.0, 62.0), ! 20 Herbaceous Tundra\n & lu_type('USGS_WdTun', 'SHRUB ', 246.0, 62.0), ! 21 Shrub and Brush Tundra\n & lu_type('USGS_MxTun', 'SHRUB ', 246.0, 62.0), ! 22 Mixed Tundra\n & lu_type('USGS_BGTun', 'BARREN ', 246.0, 18.0), ! 23 Bare Ground Tundra\n & lu_type('USGS_SnwIc', 'SNOWICE ', 0.0, 0.0)/) ! 24 Snowfields or Glaciers\n\n CONTAINS \n SUBROUTINE INIT_LSM( JDate, JTime ) \n \n USE HGRD_DEFN \n USE UTILIO_DEFN \n USE RUNTIME_VARS, ONLY : WRF_V4P\n#ifdef twoway \n USE twoway_data_module, ONLY : num_land_cat\n#endif \n \n IMPLICIT NONE \n \n INCLUDE SUBST_FILES_ID ! file name parameters \n \n INTEGER, INTENT( In ) :: jdate \n INTEGER, INTENT( In ) :: jtime \n CHARACTER( 240 ) :: XMSG = ' ' \n CHARACTER( 16 ), SAVE :: PNAME = 'Init_LSM'\n INTEGER l\n INTEGER :: STAT\n\n LOGICAL, SAVE :: INITIALIZED = .FALSE.\n\n IF( INITIALIZED ) RETURN\n INITIALIZED = .TRUE.\n \n IF (WRF_V4P) THEN\n N_SOIL_TYPE = N_SOIL_TYPE_WRFV4P\n ELSE\n N_SOIL_TYPE = N_SOIL_TYPE_WRFV3\n END IF\n\n ALLOCATE (WSAT(N_SOIL_TYPE),\n & WFC(N_SOIL_TYPE),\n & WWLT(N_SOIL_TYPE),\n & BSLP(N_SOIL_TYPE),\n & WRES(N_SOIL_TYPE),\n & RHOB(N_SOIL_TYPE),\n & STAT=STAT)\n\n IF (WRF_V4P) THEN\n WSAT = WSAT_WRFV4P\n WFC = WFC_WRFV4P\n WWLT = WWLT_WRFV4P\n BSLP = BSLP_WRFV4P\n WRES = WRES_WRFV4P\n RHOB = RHOB_WRFV4P\n ELSE\n WSAT = WSAT_WRFV3\n WFC = WFC_WRFV3\n WWLT = WWLT_WRFV3\n BSLP = BSLP_WRFV3\n WRES = WRES_WRFV3\n RHOB = RHOB_WRFV3\n END IF\n\n#ifdef twoway \n IF ( NUM_LAND_CAT .EQ. 24 ) THEN \n LAND_SCHEME = 'USGS24' \n ELSE IF ( NUM_LAND_CAT .EQ. 20 ) THEN \n LAND_SCHEME = 'MODIS' \n ELSE IF ( NUM_LAND_CAT .EQ. 50 ) THEN \n LAND_SCHEME = 'NLCD50' \n ELSE IF ( NUM_LAND_CAT .EQ. 40 ) THEN \n LAND_SCHEME = 'NLCD40' \n END IF \n#endif \n! Write( *,* ) 'Land use scheme is ', TRIM(LAND_SCHEME) \n \n SELECT CASE( LAND_SCHEME ) \n CASE( 'USGS24' ) \n n_lufrac = n_usgs\n If ( .Not. Allocated ( cat_lu ) ) Then\n Allocate ( cat_lu ( n_lufrac ),\n & name_lu ( n_lufrac ),\n & LUF_FAC ( n_lufrac ),\n & HGLU_FAC ( n_lufrac ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating land use data'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n End If\n cat_lu = USGS24%lu_cat\n name_lu = USGS24%name\n LUF_FAC = USGS24%LUF_FAC\n HGLU_FAC = USGS24%HGLU_FAC\n CASE( 'MODIS' ) \n n_lufrac = n_modis \n If ( .Not. Allocated ( cat_lu ) ) Then\n Allocate ( cat_lu ( n_lufrac ),\n & name_lu ( n_lufrac ),\n & LUF_FAC ( n_lufrac ),\n & HGLU_FAC ( n_lufrac ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating land use data'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n End If\n cat_lu = MODIS%lu_cat\n name_lu = MODIS%name\n LUF_FAC = MODIS%LUF_FAC\n HGLU_FAC = MODIS%HGLU_FAC\n CASE( 'NLCD50' ) \n n_lufrac = n_nlcd50 \n If ( .Not. Allocated ( cat_lu ) ) Then\n Allocate ( cat_lu ( n_lufrac ),\n & name_lu ( n_lufrac ),\n & LUF_FAC ( n_lufrac ),\n & HGLU_FAC ( n_lufrac ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating land use data'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n End If\n cat_lu = NLCD50%lu_cat\n name_lu = NLCD50%name\n LUF_FAC = NLCD50%LUF_FAC\n HGLU_FAC = NLCD50%HGLU_FAC\n CASE( 'NLCD40' ) \n n_lufrac = n_nlcd40 \n If ( .Not. Allocated ( cat_lu ) ) Then\n Allocate ( cat_lu ( n_lufrac ),\n & name_lu ( n_lufrac ),\n & LUF_FAC ( n_lufrac ),\n & HGLU_FAC ( n_lufrac ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating land use data'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n End If\n cat_lu = NLCD40%lu_cat\n name_lu = NLCD40%name\n LUF_FAC = NLCD40%LUF_FAC\n HGLU_FAC = NLCD40%HGLU_FAC\n CASE DEFAULT \n xmsg = 'Land use scheme not supported'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END SELECT \n \n END SUBROUTINE Init_LSM \n \n END MODULE LSM_Mod \n" }, { "path": "CCTM/src/depv/m3dry/cgrid_depv.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE CGRID_DEPV( GAS_DEPV_FOUND, GAS_DEPV_SUR, CGRID, CGRIDL1 )\n\nC-----------------------------------------------------------------------\nC Return layer one CGRID concentrations for the gas depv species with species\nC first in the dimensions order - called by GET_DEPV [DEPV_DEFN module] to\nC use for bi-directional flux calculations in m3dry\nC Revision History:\nC Jeff Young 11 Jan 07: created\nC 21 Jun 10 J.Young: convert for Namelist redesign\nC 16 Feb 11 S.Roselle: replaced I/O API include files with UTILIO_DEFN;\nC 1 Feb 19 David Wong: removed MY_N clauses\nC-----------------------------------------------------------------------\n\n USE CGRID_SPCS ! CGRID mechanism species\n USE HGRD_DEFN ! horizontal domain specifications\n USE UTILIO_DEFN\n\nC Arguments:\n\n LOGICAL, INTENT( IN ) :: GAS_DEPV_FOUND( : )\n INTEGER, INTENT( IN ) :: GAS_DEPV_SUR( : )\n REAL, POINTER :: CGRID( :,:,:,: )\n REAL, INTENT( OUT ) :: CGRIDL1( :,:,: )\n\nC Local Variables:\n\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n\n INTEGER C, R, S, N, V, NDX, STRT\n\nC-----------------------------------------------------------------------\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n END IF\n\n N = 0\n STRT = 0\n DO V = 1, N_GC_DEPV\n N = N + 1\n IF ( GAS_DEPV_FOUND( N ) ) THEN\n NDX = GAS_DEPV_SUR( N )\n S = STRT + GC_DEPV_MAP( V )\n DO R = 1, NROWS\n DO C = 1, NCOLS\n CGRIDL1( NDX,C,R ) = CGRID( C,R,1,S )\n END DO\n END DO\n END IF\n END DO\n\n STRT = N_GC_SPC + 1 + N_AE_SPC ! +1 for RHOJ\n DO V = 1, N_NR_DEPV\n N = N + 1\n IF ( GAS_DEPV_FOUND( N ) ) THEN\n NDX = GAS_DEPV_SUR( N )\n S = STRT + NR_DEPV_MAP( V )\n DO R = 1, NROWS\n DO C = 1, NCOLS\n CGRIDL1( NDX,C,R ) = CGRID( C,R,1,S )\n END DO\n END DO\n END IF\n END DO\n\n STRT = N_GC_SPC + 1 + N_AE_SPC + N_NR_SPC\n DO V = 1, N_TR_DEPV\n N = N + 1\n IF ( GAS_DEPV_FOUND( N ) ) THEN\n NDX = GAS_DEPV_SUR( N )\n S = STRT + TR_DEPV_MAP( V )\n DO R = 1, NROWS\n DO C = 1, NCOLS\n CGRIDL1( NDX,C,R ) = CGRID( C,R,1,S )\n END DO\n END DO\n END IF\n END DO\n\n END SUBROUTINE CGRID_DEPV\n\nC for cb05:\nC strt v n ndx s GAS_DEPV_FOUND GAS_DEPV_SUR\nC 0 1 1 3 1 (1) .true. 3 VD_NO2 \nC 0 2 2 4 2 (2) .true. 4 VD_NO \nC 0 3 3 5 4 (3) .true. 5 VD_O3 \nC 0 4 4 19 5 (4) .true. 19 VD_NO3 \nC 0 5 5 18 9 (5) .true. 18 VD_N2O5 \nC 0 6 6 6 10 (6) .true. 6 VD_HNO3 \nC 0 7 7 15 11 (7) .true. 15 VD_HONO \nC 0 8 8 7 13 (8) .true. 7 VD_H2O2 \nC 0 9 9 14 16 (9) .true. 14 VD_PAN \nC 0 10 10 10 17 (10) .true. 10 VD_OP \nC 0 11 11 9 18 (11) .true. 9 VD_HCHO \nC 0 12 12 8 19 (12) .true. 8 VD_ALD \nC 0 13 13 20 20 (13) .true. 20 VD_GEN_ALD \nC 0 14 14 16 22 (14) .true. 16 VD_CO \nC x 0 15 15 16 22 (15) .false. 10 VD_OP \nC 0 16 16 17 25 (16) .true. 17 VD_METHANOL \nC 0 17 17 12 27 (17) .true. 12 VD_ORA \nC x 0 18 18 12 27 (18) .false. 14 VD_PAN \nC 0 19 19 11 30 (19) .true. 11 VD_PAA \nC x 0 20 20 11 30 (20) .false. 12 VD_ORA \nC x 0 21 21 11 30 (21) .false. 14 VD_PAN \nC 0 22 22 1 52 (22) .true. 1 VD_SO2 \nC 0 23 23 2 53 (23) .true. 2 VD_SULF \nC 91 1 24 13 92 (24) .true. 13 VD_NH3 \nC x 91 2 25 13 92 (25) .false. 12 VD_ORA \nC x 91 3 26 13 92 (26) .false. 12 VD_ORA \nC x 91 4 27 13 92 (27) .false. 12 VD_ORA \nC x 91 5 28 13 92 (28) .false. 12 VD_ORA \nC x 91 6 29 13 92 (29) .false. 12 VD_ORA \nC x 91 7 30 13 92 (30) .false. 12 VD_ORA \nC x 91 8 31 13 92 (31) .false. 12 VD_ORA \nC x 91 9 32 13 92 (32) .false. 12 VD_ORA \nC x 91 10 33 13 92 (33) .false. 12 VD_ORA \nC x 91 11 34 13 92 (34) .false. 12 VD_ORA \nC 91 12 35 21 103 (35) .true. 21 VD_HCL \n\nC for cb05cl:\nC strt v n ndx s GAS_DEPV_FOUND GAS_DEPV_SUR\nC 0 1 1 3 1 .true. 3 VD_NO2\nC 0 2 2 4 2 .true. 4 VD_NO\nC 0 3 3 5 4 .true. 5 VD_O3\nC 0 4 4 19 5 .true. 19 VD_NO3\nC 0 5 5 18 9 .true. 18 VD_N2O5\nC 0 6 6 6 10 .true. 6 VD_HNO3\nC 0 7 7 15 11 .true. 15 VD_HONO\nC 0 8 8 7 13 .true. 7 VD_H2O2\nC 0 9 9 14 16 .true. 14 VD_PAN\nC 0 10 10 10 17 .true. 10 VD_OP\nC 0 11 11 9 18 .true. 9 VD_HCHO\nC 0 12 12 8 19 .true. 8 VD_ALD\nC 0 13 13 20 20 .true. 20 VD_GEN_ALD\nC 0 14 14 16 22 .true. 16 VD_CO\nC 0 15 15 16 22 .false. 10 VD_OP\nC 0 16 16 17 25 .true. 17 VD_METHANOL\nC 0 17 17 12 27 .true. 12 VD_ORA\nC 0 18 18 12 27 .false. 14 VD_PAN\nC 0 19 19 11 30 .true. 11 VD_PAA\nC 0 20 20 11 30 .false. 12 VD_ORA\nC 0 21 21 11 30 .false. 14 VD_PAN\nC 0 22 22 1 52 .true. 1 VD_SO2\nC 0 23 23 2 53 .true. 2 VD_SULF\nC 0 24 24 21 57 .true. 21 VD_CL2\nC 0 25 25 22 59 .true. 22 VD_HOCL\nC 0 26 26 24 61 .true. 24 VD_FMCL\nC 0 27 27 23 62 .true. 23 VD_HCL\nC 122 1 28 13 123 .true. 13 VD_NH3\nC 122 2 29 13 123 .false. 12 VD_ORA\nC 122 3 30 13 123 .false. 12 VD_ORA\nC 122 4 31 13 123 .false. 12 VD_ORA\nC 122 5 32 13 123 .false. 12 VD_ORA\nC 122 6 33 13 123 .false. 12 VD_ORA\nC 122 7 34 13 123 .false. 12 VD_ORA\nC 122 8 35 13 123 .false. 12 VD_ORA\nC 122 9 36 13 123 .false. 12 VD_ORA\nC 122 10 37 13 123 .false. 12 VD_ORA\nC 122 11 38 13 123 .false. 12 VD_ORA\nC 122 12 39 13 123 .false. 12 VD_ORA\nC 122 13 40 13 123 .false. 12 VD_ORA\n\n" }, { "path": "CCTM/src/depv/m3dry/depv_data_module.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n!------------------------------------------------------------------------!\n! This module contains key component from ABFLUX_MOD.F to facilitate \n! centralized I/O implementation by avoiding cyclic data dependence\n\n! Revision History:\n! 01 Feb 2019 D.Wong initial implementation, \n!------------------------------------------------------------------------!\n\n module depv_data_module\n\n implicit none\n\n integer, parameter :: e2c_cats = 42 ! number of crop catigories\n\n! Some compilers do not pad with blank characters in data initialization\n! '12345678901234567890'\n character( 20 ), parameter :: Beld_Names( e2c_cats ) =\n & (/ 'Hay ', ! 1\n & 'Hay_ir ', ! 2\n & 'Alfalfa ', ! 3\n & 'Alfalfa_ir ', ! 4\n & 'Other_Grass ', ! 5\n & 'Other_Grass_ir ', ! 6\n & 'Barley ', ! 7\n & 'Barley_ir ', ! 8\n & 'BeansEdible ', ! 9\n & 'BeansEdible_ir ', ! 10\n & 'CornGrain ', ! 11\n & 'CornGrain_ir ', ! 12\n & 'CornSilage ', ! 13\n & 'CornSilage_ir ', ! 14\n & 'Cotton ', ! 15\n & 'Cotton_ir ', ! 16\n & 'Oats ', ! 17\n & 'Oats_ir ', ! 18\n & 'Peanuts ', ! 19\n & 'Peanuts_ir ', ! 20\n & 'Potatoes ', ! 21\n & 'Potatoes_ir ', ! 22\n & 'Rice ', ! 23\n & 'Rice_ir ', ! 24\n & 'Rye ', ! 25\n & 'Rye_ir ', ! 26\n & 'SorghumGrain ', ! 27\n & 'SorghumGrain_ir ', ! 28\n & 'SorghumSilage ', ! 29\n & 'SorghumSilage_ir ', ! 30\n & 'Soybeans ', ! 31\n & 'Soybeans_ir ', ! 32\n & 'Wheat_Spring ', ! 33\n & 'Wheat_Spring_ir ', ! 34\n & 'Wheat_Winter ', ! 35\n & 'Wheat_Winter_ir ', ! 36\n & 'Other_Crop ', ! 37\n & 'Other_Crop_ir ', ! 38\n & 'Canola ', ! 39\n & 'Canola_ir ', ! 40\n & 'Beans ', ! 41\n & 'Beans_ir ' ! 42\n & /)\n\n real, allocatable :: Beld_ag ( :,:,: )\n! for E2C_SOIL file\n real, allocatable :: pHs1 ( :,:,: )\n real, allocatable :: pHs2 ( :,:,: )\n real, allocatable :: por1 ( :,:,: )\n real, allocatable :: por2 ( :,:,: )\n real, allocatable :: wp1 ( :,:,: )\n real, allocatable :: wp2 ( :,:,: )\n real, allocatable :: cec1 ( :,:,: )\n real, allocatable :: cec2 ( :,:,: )\n! for E2C_CHEM file\n real, Allocatable :: NH4ps1 ( :,:,: ) ! Total Soil NH4 from EPIC\n real, Allocatable :: NH4ps2 ( :,:,: )\n real, Allocatable :: wep1 ( :,:,: )\n real, Allocatable :: wep2 ( :,:,: )\n real, Allocatable :: dep2 ( :,:,: )\n\n end module depv_data_module\n" }, { "path": "CCTM/src/depv/m3dry/gas_depv_map.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE GAS_DEPV_MAP ( N_DEPV_NAMES, DEPV_NAMES, DEPV_SUR )\n\nC----------------------------------------------------------------------\nC 21 Jun 10 J.Young: convert for Namelist redesign\nC 16 Feb 2011 S.Roselle: replaced I/O API include files with UTILIO_DEFN\nC----------------------------------------------------------------------\n\n USE CGRID_SPCS ! CGRID mechanism species\n USE DEPVVARS\n USE UTILIO_DEFN\n#ifdef mpas\n USE util_module, only : index1\n#endif\n\n IMPLICIT NONE\n\nC Arguments:\n\n INTEGER, INTENT( IN ) :: N_DEPV_NAMES ! number of unique dep vel species\n CHARACTER( 16 ), INTENT( INOUT ) :: DEPV_NAMES( : ) ! names of dep vel species\n INTEGER, INTENT( OUT ) :: DEPV_SUR( : ) ! pointers to model species for\n ! calculated deposition velocities\n ! (surrogate dep vels [m/s**2])\n\nC Local variables:\n\n INTEGER :: JDATE = 0\n INTEGER :: JTIME = 0\n\n CHARACTER( 16 ), SAVE :: PNAME = 'GAS_DEPV_MAP'\n\n CHARACTER( 96 ) :: XMSG = ' '\n CHARACTER( 16 ) :: VNAME ! scratch string\n\n INTEGER ALLOCSTAT\n INTEGER V, N\n INTEGER STRT, FINI\n\nC----------------------------------------------------------------------\n\n IF ( ( N_GC_SPC + N_NR_SPC + N_TR_SPC ) .LE. 0 ) THEN\n XMSG = 'Model not compiled for gases'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\nC Set up names and indices\n\n IF ( .NOT. DEPVVARS_INIT( ) ) THEN\n XMSG = 'Failure initializing depvvars module'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\nC Set up the DEPV pointers to calculated deposition velocities\n\n#ifdef Verbose\n WRITE( LOGDEV,* ) ' '\n WRITE( LOGDEV,* ) ' > Unique DEPV versus DEPSPC'\n#endif\n\n DO V = 1, N_DEPV_NAMES\n VNAME = DEPV_NAMES( V )( 4:LEN_TRIM( DEPV_NAMES( V ) ) )\n N = INDEX1( VNAME, LTOTG, DEPSPC )\n IF ( N .NE. 0 ) THEN\n IF ( .NOT. USE_DEPSPC( N ) ) THEN\n USE_DEPSPC( N ) = .TRUE.\n N_USE_DEPSPC = N_USE_DEPSPC + 1\n#ifdef Verbose\n WRITE( LOGDEV,1005 ) V, DEPV_NAMES( V ), N, DEPSPC( N )\n#endif\n END IF \n ELSE\n XMSG = 'Could not find ' // TRIM( DEPV_NAMES( V ) ) // \n & ' in ' // TRIM( DEPV_METHOD ) //\n & ' surrogate table.'\n! & ' surrogate table. >>> Dep vel set to zero <<< '\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END DO\n\nC Sort DEPV_NAMES based on the order in DEPSPC (DEPVVARS module)\n\n#ifdef Verbose\n WRITE( LOGDEV,* ) ' '\n WRITE( LOGDEV,* ) ' > Sorted DEPV names (1st index from total m3dry list)'\n#endif\n\n N = 0\n DO V = 1, LTOTG \n! IF ( .NOT. USE_DEPSPC( V ) ) CYCLE\n IF ( .NOT. USE_DEPSPC( V ) ) THEN\n#ifdef Verbose\n WRITE( LOGDEV,1009 ) V, USE_DEPSPC( v ), 0, ' '\n#endif\n ELSE\n N = N + 1\n VNAME = 'VD_' // DEPSPC( V )( 1:LEN_TRIM( DEPSPC( V ) ) )\n DEPV_NAMES( N ) = VNAME\n#ifdef Verbose\n WRITE( LOGDEV,1009 ) V, USE_DEPSPC( V ), N, DEPV_NAMES( N )\n#endif\n END IF\n END DO\n\nC Locate model species' DEPVs in the unique DEPV_NAMES list\n\n DO V = 1, N_GC_DEPV\n VNAME = GC_DEPV( V )\n N = INDEX1( VNAME, N_DEPV_NAMES, DEPV_NAMES )\n IF ( N .NE. 0 ) THEN\n DEPV_SUR( V ) = N\n ELSE\n XMSG = 'Could not find ' // TRIM( GC_DEPV( V ) )\n & // ' in DEPV table.' \n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END DO\n\n STRT = N_GC_DEPV + 1\n FINI = N_GC_DEPV + N_NR_DEPV \n DO V = STRT, FINI\n VNAME = NR_DEPV( V - ( STRT-1 ) )\n N = INDEX1( VNAME, N_DEPV_NAMES, DEPV_NAMES )\n IF ( N .NE. 0 ) THEN\n DEPV_SUR( V ) = N\n ELSE\n XMSG = 'Could not find ' // TRIM( NR_DEPV( V ) )\n & // ' in DEPV table.' \n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END DO\n\n STRT = N_GC_DEPV + N_NR_DEPV + 1\n FINI = N_GC_DEPV + N_NR_DEPV + N_TR_DEPV\n DO V = STRT, FINI\n VNAME = TR_DEPV( V - (STRT-1) )\n N = INDEX1( VNAME, N_DEPV_NAMES, DEPV_NAMES )\n IF ( N .NE. 0 ) THEN\n DEPV_SUR( V ) = N\n ELSE\n XMSG = 'Could not find ' // TRIM( TR_DEPV( V ) )\n & // ' in DEPV table.' \n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END DO\n\n#ifdef Verbose\n WRITE( LOGDEV,* ) ' '\n WRITE( LOGDEV,* ) ' > ', PNAME, 'Final Gas DEPV Map'\n\n STRT = 0\n DO V = 1, N_GC_DEPV\n WRITE( LOGDEV,1019 ) V, GC_DEPV( V ), DEPV_SUR( V+STRT ),\n & DEPV_NAMES( DEPV_SUR( V+STRT) )\n END DO\n\n STRT = N_GC_DEPV\n DO V = 1, N_NR_DEPV\n WRITE( LOGDEV,1019 ) V, NR_DEPV( V ), DEPV_SUR( V+STRT ),\n & DEPV_NAMES( DEPV_SUR( V+STRT) )\n END DO\n\n STRT = N_GC_DEPV + N_NR_DEPV \n DO V = 1, N_TR_DEPV\n WRITE( LOGDEV,1019 ) V, TR_DEPV( V ), DEPV_SUR( V+STRT ),\n & DEPV_NAMES( DEPV_SUR( V+STRT) )\n END DO\n#endif\n\n RETURN\n \n RETURN\n\n1005 FORMAT( I5, 1X, A16, I3, 1X, A16 )\n\n!009 FORMAT( I5, 1X, I4, 1X, A16 )\n1009 FORMAT( I5, 1X, L3, 1X, I4, 1X, A16 )\n\n1019 FORMAT( 3( I3, 1X, A16, 1X ) )\n\n END SUBROUTINE GAS_DEPV_MAP\n\n" }, { "path": "CCTM/src/depv/m3dry/m3dry.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/work/rep/arc/CCTM/src/depv/m3dry/m3dry.F,v 1.12 2012/01/19 14:19:43 yoj Exp $\n\nC::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE m3dry ( jdate, jtime, dtsec, cgridl1, depvel_gas, pvd, nh3_ddep)\n\nC-------------------------------------------------------------------------------\nC Name: Models-3 Dry Deposition\nC Purpose: Computes dry deposition velocities using Rst and Ra, and\nC elements of ADOM DD model.\nC Revised: 21 Jan 1998 Original version. (J. Pleim and A. Bourgeois)\nC 18 Sep 2001 Made general for USGS 24-category system.\nC (T. Otte, J. Pleim, and W. Hutzell)\nC 14 Jan 2002 Added temperature dependence to Henry's Law\nC constants. Added temperature and pressure\nC dependence to diffusivity. Added new dry\nC deposition species, methanol. (Y. Wu and T. Otte)\nC 18 Jan 2002 Changed the reference wet cuticle resistance.\nC (J. Pleim)\nC 09 Jun 2003 Added logic for modeling snow covered surfaces.\nC Changed the reactivities for SO2, HNO3 and NH3.\nC Changed pH values to have an east-west variation.\nC Using the Henry's law constant function from CMAQ in\nC place of local code. Also changed the code for\nC deposition to water to use a pH of 8.1 and the\nC temperature of water in calculating the Henry's law\nC constant. Adjusted values of RSNOW0 = 1000 and\nC A(NH3) = 20. Added new dry deposition species: N2O5,\nC NO3, Generic_aldehyde. Corrected diffusivities of\nC chemicals and water and viscosity of air to all be at\nC the same temperature (273.15K). Temperature and\nC pressure adjustments to the values are not needed\nC because the diffusivities and viscosity are always used\nC as ratios, so the temperature-pressure dependence was\nC removed. Removed dry deposition species, ATRA and\nC ATRAP, from output. (D. Schwede, J. Pleim, and\nC T. Otte)\nC 28 Feb 2005 Added optional dry deposition species for chlorine\nC and mercury. (G. Sarwar, R. Bullock, and T. Otte)\nC 02 Feb 2006 Added mesophyll resistance to dry deposition velocity\nC calculation, and defined non-zero value for mercury.\nC (D. Schwede, J. Pleim, and R. Bullock)\nC 01 Aug 2007 Added a non-zero mesophyll resistance for NO, NO2, and\nC CO. Restored wet cuticle resistance for O3 based on\nC field study measurements. Added wet ground resistance.\nC Changed ground resistance to include partitioning of\nC wet and dry ground. Updated pH of rain water for\nC eastern United States and outside of North America.\nC Changed reactivity for PAN. Removed dry deposition\nC velocity calculations for obsolete chlorine species\nC ICL1 and ICL2. Corrected error in the calculation of\nC surface resistance over water where (Sc/Pr)**(2/3) had\nC been inadvertently omitted from the numerator.\nC Surface resistance over water is now a function of\nC species. Surface resistance over water now uses wet\nC bulb temperature rather than ground (water) temperature\nC in the calculation of the effective Henry's law\nC constant, and the algorithm has been updated. Changed\nC (Sc/Pr)**(2/3) over water to a species-dependent,\nC meteorologically dependent variable. Effective Henry's\nC law constant over land now uses 2-m temperature rather\nC than layer 1 temperature. Changed ES\nC into ES_AIR and ES_GRND, and changed QSS into QSS_AIR\nC and QSS_GRND to clarify usage. (J. Pleim, E. Cooter,\nC J. Bash, T. Otte, and G. Sarwar)\nC 07 Dec 2007 Add into CMAQ for in-line deposition velocities.\nC (W. Hutzell, J. Young and T. Otte)\nC 07 Jan 2008 Changed the value of d3, the scaling parameter used to\nC estimate the friction velocity in surface waters from\nC the atmospheric friction velocity to a value following\nC Slinn et al. (1978) and Fairall et al. (2007).\nC (J. Bash)\nC 01 Feb 2008 Added bidirectional NH3 flux calculations. (J. Pleim and\nC J. Young)\nC 20 Mar 2008 Added a trap for undefined dry deposition velocities\nC (e.g., NaN's). (T. Otte)\nC 21 Mar 2008 Added heterogeneous reaction for HONO. It affects HONO, NO2\nC and HNO3 (G. Sarwar)\nC 30 Apr 2008 Added five air toxic species to output. (W. Hutzell\nC and T. Otte)\nC August 2008 Applied a minimum value to ustg (0.001 m/s) to prevent\nC negative rbg values in the bidi calculation (J. Pleim)\nC 05 Oct 2009 Added condition that vegetation fraction must be\nC greater than zero to be considered a land point. This\nC works around intermittent inconsistencies in surface\nC fields in some WRF data sets. (T. Otte)\nC Dec 2009 Revised bidirectional NH3 flux calculations to use soil\nC Gamma values read from gridded file. Bidi flux calcs\nC based on comparisons with Lillington, NC corn data 2007 (J. Pleim)\nC 30 Mar 2010 Modified to output the NH3 bidi stomtal, cuticle and soil component\nC fluxes and chaged NH3 bidi variables used in estimating the compensation\nC point double. (J. Bash)\nC 16 Feb 2011 S.Roselle: replaced I/O API include files with UTILIO_DEFN\nC 20 May 2011 D.Schwede: add MOSAIC processing\nC 14 Jul 2011 Replaced dw25 calculation with Hayduk and Laudie method.\nC LeBas molar volumes are from the Schroeder additive method\nC with the exception of HGIIGAS (modeled as HgCl2) which was\nC obtained using the Tyn and Calus method. Also, ICL1 and ICL2\nC were removed. (D. Schwede)\nC 27 Jul 2011 J.Bash: Parmaterized the mesophyll resistance as a function\nC of solubility following Wesely 1989 Atmos Environ.\nC 15 Aug 2011 Modified HONO calculation so that deposition velocity for NO2\nC that is output in DEPV file does not include the loss due to\nC the heterogeneous reaction. This additional loss is now\nC accounted for in vdiff.F (D. Schwede and G. Sarwar)\nC 29 Aug 2011 Added NH3 bidirectional flux variables and modules and integrated\nC NH3 bidi algorithms with MOSAIC algorithms. NH3 bidi routines now\nC read in foratted EPIC output and maintain a soil NH4 budget and\nC fluxes are calculated for individual land cover types.\nC (J. Bash and D. Schwede)\nC 22 Sep 2011 -- incorporated twoway model implementation\nC -- removed non-use dluse array\nC (David Wong)\nC 26 Sep 2011 -- made the number of actual and dummy arguments the same in\nC calling subroutine Init_ABFlux\nC (David Wong)\nC 7 Jun 2012 Allow read of C-staggered (UWINDC and VWINDC) wind and B-staggered\nC (UWIND and VWIND) from MET_DOT_3D to maintain compatibility with\nC current and previous versions of MCIP (J. Bash)\nC 12 Sep 2012 Added code for NLCD40 land use classification (D. Schwede)\nC 20 May 2013 Added code for increased ozone deposition to oceans due to iodide (D. Schwede)\nC 30 Jul 2013 Added new organic N species for explicit deposition due to differences in Henry's Law\nC 14 Nov 2013 Added MPAN as an explicit species, separating it from PANX\nC 28 Aug 2014 G. Sarwar: added deposition data for CLNO2\nC 7 Nov 2014 J. Bash: Modified for the restructuring of vidff. Moved constants and data to \nC ASX_DATA_MOD.\nC June 2018 revised for v5.3 - removed mosaic, new epic-bidi - j pleim\nC 01 Feb 2019 D. Wong: Implemented centralized I/O approach, removed all MY_N clauses\nC 12 Dec 2019 S.L.Napelenok: update for cmaq 5.3.1\nC August 2020 J Pleim: corrected TSTEP to be DTSEC. Corrects NH3 bidi emis, dep outputs\nC-------------------------------------------------------------------------------\n\n USE RUNTIME_VARS\n USE HGRD_DEFN ! horizontal grid specifications\n USE DEPVVARS\n USE VGRD_DEFN ! to get VGTYP_GD\n USE UTILIO_DEFN\n#ifdef mpas\n Use util_module, only : secsdiff\n#else\n#ifdef parallel\n USE SE_MODULES ! stenex (using SE_COMM_MODULE)\n#else\n USE NOOP_MODULES ! stenex (using NOOP_COMM_MODULE)\n#endif \n#endif \n Use ABFlux_Mod ! bidi NH3 exchange routines\n Use ASX_DATA_MOD ! contains CONSTANTS include\n Use BIDI_MOD, only:HGBIDI ! contains CONSTANTS include\n Use HGSIM\n#ifdef twoway\n USE twoway_data_module, only : num_land_cat\n#endif\n Use CENTRALIZED_IO_MODULE, only : WR_AVAIL\n\n#ifdef sens\n USE DDM3D_DEFN, ONLY : NP, NPMAX, S_PVD, S_CGRIDL1\n#endif\n\n IMPLICIT NONE\nC Includes:\n\n INCLUDE SUBST_FILES_ID ! file name parameters\n INCLUDE SUBST_PE_COMM ! PE communication displacement and direction\n\nC Arguments:\n\n INTEGER, INTENT( IN ) :: jdate\n INTEGER, INTENT( IN ) :: jtime\n REAL, INTENT( IN ) :: dtsec ! model time step (sec)\n REAL, INTENT( IN ) :: cgridl1( :,:,: ) ! layer 1 concentrations\n REAL, INTENT( OUT ) :: depvel_gas( :,:,: )\n REAL, INTENT( OUT ) :: pvd( :,:,: )\n REAL, INTENT( OUT ) :: nh3_ddep(:,:)\n\nC Local Variables:\n\n INTEGER :: c,r,l,n ! loop variables\n INTEGER :: elapsedsec,idt\n INTEGER :: ifsnow ! 1=snow\n INTEGER, SAVE, ALLOCATABLE :: lstwetdate( :,: )\n INTEGER, SAVE, ALLOCATABLE :: lstwettime( :,: )\n\n REAL :: cp_air ! specific heat of moist air\n REAL :: ctemp2 ! temp2 [C]\n REAL :: dw\n REAL :: dw25 ! diffusivity of water at 298.15 k\n REAL :: hcan\n REAL :: heff ! effective Henry's Law constant\n REAL :: heff_ap ! Henry's Law constant for leaf apoplast M/atm\n REAL :: hplus\n REAL :: kvisw ! kinematic viscosity of water [cm^2/s]\n REAL :: lv ! latent heat of vaporization\n REAL :: laicr ! col row lai\n REAL :: q2p0cr ! cell 2.0 m water vapor mix ratio\n REAL :: rac\n REAL :: rbc\n REAL :: rci\n REAL :: rcut\n REAL :: rgnd\n REAL :: rgndc\n REAL :: rgw ! resist for water-covered sfc\n REAL :: rh_grnd ! rel humidity (ground)\n REAL :: rinc\n REAL :: rsnow\n REAL :: rstom\n REAL :: rsurf\n REAL :: rwet ! wet sfc resist (cuticle or grnd)\n REAL :: rwetsfc\n REAL :: scw_pr_23 ! (scw/pr)**2/3\n REAL :: temp2p0cr ! cell 2.0-m temp\n REAL :: tempgcr ! cell ground temp\n REAL :: tw ! wet bulb temp.\n REAL :: ustarcr ! cell friction velocity\n REAL :: vegcr ! cell veg coverage fraction\n REAL :: wrmax\n REAL, SAVE :: xcent\n REAL, SAVE :: ycent\n REAL :: xm ! liquid water mass frac\n REAL :: rh_func ! Simple RH function for the development of a water film on leaf cuticles \n Real, Parameter :: MolNH3 = 17.01 ! g/mol NH3 for NH3 bidi to convert to microg/m3\n Real, Parameter :: MolAir = 29.97 ! g/mol dry air\n Real :: cnh3,tpvd,lnh3,femis,fdep\n\n REAL, SAVE, ALLOCATABLE :: delta ( :,: )\n\n REAL, EXTERNAL :: hlconst ! [M / atm]\n\n LOGICAL :: effective ! true=compute effective Henry's Law const\n LOGICAL, SAVE :: first_call = .TRUE.\n\n CHARACTER( 16 ), PARAMETER :: pname = 'M3DRY'\n CHARACTER( 96 ) :: xmsg = ' '\n\n REAL, SAVE :: scc_pr_23( ltotg ) ! (SCC/PR)**2/3, fn of DIF0\n\nC-------------------------------------------------------------------------------\nC gas phase species indexes\n Integer, Save :: n_HONO\n Integer, Save :: l_HONO ! m3dry map\n Integer, Save :: n_NO2 ! CGRID map\n Integer, Save :: l_NO2\n Integer, Save :: n_O3 ! CGRID map\n Integer, Save :: l_O3\n Integer, Save :: n_NH3 ! CGRID map\n Integer, Save :: l_NH3\n Integer, Save :: n_HG ! CGRID map\n Integer, Save :: l_HG\n Integer, Save :: n_HGII ! CGRID map\n Integer, Save :: l_HGII\nC-------------------------------------------------------------------------------\nC For ozone exchange over the ocean\n\n REAL :: pchang ! p value used in equation (12) in Chang et al( 2004)\n REAL :: kwchang ! kw value used in Chang et al (2004)\n REAL :: ciodide ! iodide concentration (umol/L)\n REAL :: qiodide ! q in Chang et al (2004)\n\nC-------------------------------------------------------------------------------\nC For heterogenous hono on surfaces\n REAL :: conc_no2 ! concentration of NO2\n REAL :: kno2 ! first order rate constant for the heterogenous reaction [1/s]\n REAL :: surf_bldg ! Surface area of bldgs to volume of air [-]\n REAL :: surf_leaf ! Surface area of leaves to volume of air [-]\n#ifdef sens\n REAL :: s_conc_no2( NPMAX )\n#endif\n\nC-------------------------------------------------------------------------------\nC For Mercury bidirectional flux\n REAL :: chg ! gem layer one concentration\n REAL :: awhg ! GEM Oswald solubility coeff\n REAL :: chgIIgas ! rgm layer one concentration\n REAL :: vdHgII ! divalent mercury deposition velocity\n REAL :: vdHg ! elemental mercury deposition velocity\n REAL :: dpvd ! dummy pvd variable passed to the hgasx subroutine\n REAL :: dvel ! dummy depvel_gas returned from ATX\n\nC-------------------------------------------------------------------------------\n\n\n IF ( first_call ) THEN\n first_call = .FALSE.\n\n DO l = 1, n_spc_m3dry\n IF ( dif0( l ) > 0.0 ) THEN\n scc_pr_23( l ) = ( ( kvis / dif0( l ) ) / pr ) ** twothirds\n ELSE\n scc_pr_23( l ) = 0.0\n END IF\n END DO\n\n#ifdef mpas\n xcent = 0.0\n ycent = 0.0\n#else\n IF ( .NOT. desc3( met_cro_2d ) ) THEN\n xmsg = 'Could not get met_cro_2d file description'\n CALL m3exit( pname, jdate, jtime, xmsg, xstat2 )\n END IF\n\n xcent = real( xcent3d, 4 )\n ycent = real( ycent3d, 4 )\n#endif\n\n IF ( abflux ) THEN\n CALL Init_ABFlux( jdate, jtime )\n END IF\n\n IF ( .NOT. ALLOCATED ( delta ) ) THEN\n ALLOCATE ( delta( ncols,nrows ) )\n delta( :,: ) = 0.0\n END IF\n\n IF ( .NOT. ALLOCATED ( lstwetdate ) .AND. .NOT. WR_AVAIL ) THEN\n ALLOCATE ( lstwetdate( ncols,nrows ) )\n lstwetdate( :,: ) = 0\n END IF\n\n IF ( .NOT. ALLOCATED ( lstwettime ) .AND. .NOT. WR_AVAIL ) THEN\n ALLOCATE ( lstwettime( ncols,nrows ) )\n lstwettime( :,: ) = 0\n END IF\nC-----------------------------------------------------------------\nC Species maps\nC-----------------------------------------------------------------\n l_HONO = 0\n n_HONO = 0\n l_NO2 = 0\n n_NO2 = 0\n l_O3 = 0\n n_O3 = 0\n l_NH3 = 0\n n_NH3 = 0\n l_HG = 0\n n_HG = 0\n l_HGII = 0\n n_HGII = 0\n n = 0\n maploop: DO l = 1, n_spc_m3dry\n IF ( .NOT. use_depspc( l ) ) CYCLE maploop\n n = n + 1\n\n If ( depspc( l ) .EQ. 'NO2' ) THEN\n l_NO2 = l\n n_NO2 = n\n End If\n If ( depspc( l ) .EQ. 'HONO' ) THEN\n l_HONO = l\n n_HONO = n\n End If\n If ( depspc( l ) .EQ. 'O3' ) THEN\n l_O3 = l\n n_O3 = n\n End If\n If ( depspc( l ) .EQ. 'NH3' ) THEN\n l_NH3 = l\n n_NH3 = n\n End If\n If ( depspc( l ) .EQ. 'HG' ) THEN\n l_HG = l\n n_HG = n\n End If\n If ( depspc( l ) .EQ. 'HGIIGAS' ) THEN\n l_HGII = l\n n_HGII = n\n End If\n END DO maploop\n\n END IF ! first_call\n\nC-------------------------------------------------------------------------------\nC Loop over grid cells and calculate dry deposition.\nC-------------------------------------------------------------------------------\n\n effective = .TRUE.\n idt = nint(dtsec)\n depvel_gas( :,:,: ) = 0.0 ! initialize for this time period\n pvd ( :,:,: ) = 0.0 ! \" \" \" \" \"\n\n#ifdef sens\n s_pvd ( :,:,:,: ) = 0.0\n#endif\n\n DO r = 1, nrows\n DO c = 1, ncols\n\n laicr = MET_DATA%LAI ( c,r )\n q2p0cr = MET_DATA%Q2 ( c,r )\n temp2p0cr = MET_DATA%TEMP2 ( c,r )\n tempgcr = MET_DATA%TEMPG ( c,r )\n ustarcr = MET_DATA%USTAR ( c,r )\n vegcr = MET_DATA%VEG ( c,r )\n ifsnow = MAX( 0, NINT( MET_DATA%SNOCOV( c,r ) ) )\n\n! Calculate the relative humidity of air and ground.\n \n rh_grnd = 100.0 * q2p0cr / MET_DATA%QSS_GRND( c,r )\n rh_grnd = MIN( 100.0, rh_grnd )\n\n IF ( ( NINT(GRID_DATA%LWMASK( c,r )) .NE. 0 ) .AND. ( vegcr .GT. 0.0 ) ) THEN ! land\n\n IF ( .NOT. WR_AVAIL ) THEN ! approx canopy wetness - dew from Wesely\n\n ! canopy is wet if > trace precip. or moist with light winds\n\n IF ( ( MET_DATA%RN( c,r ) + MET_DATA%RC( c,r ) .GT. 0.025 ) .OR.\n & ( (0.6 + MET_DATA%WSPD10( c,r ))*(100.0-rh_grnd) .LE. 19.0 ) ) THEN\n\n delta( c,r ) = 1.0\n lstwetdate( c,r ) = jdate\n lstwettime( c,r ) = jtime\n\n ELSE\n\n IF ( MET_DATA%RGRND( c,r ) .GT. 5.0 ) THEN ! day (if at night, persist delta)\n\n ! Determine if canopy was recently wet.\n\n IF ( ( lstwetdate( c,r ) .GT. 0 ) .AND.\n & ( lstwettime( c,r ) .GT. 0 ) ) THEN ! canopy recently wet\n\n elapsedsec = secsdiff ( lstwetdate( c,r ),\n & lstwettime( c,r ),\n & jdate, jtime )\n\n IF ( ( elapsedsec .GT. 0 ) .AND. ! assume canopy stays\n & ( elapsedsec .LE. 7200 ) ) THEN ! wet for 2 h\n delta( c,r ) = 1.0\n ELSE IF ( ( elapsedsec .GT. 7200 ) .AND. ! ramp down DELTA\n & ( elapsedsec .LT. 10800 ) ) THEN ! between 2 & 3 h\n delta( c,r ) = ( 10800.0 - FLOAT( elapsedsec ) ) / 3600.0\n ELSE\n delta( c,r ) = 0.0\n lstwetdate( c,r ) = 0\n lstwettime( c,r ) = 0\n END IF\n\n END IF\n\n END IF\n\n END IF\n\n\n ELSE ! Already have canopy wetness explicitly from met model\n\n wrmax = 0.2e-3 * vegcr * laicr ! [m]\n IF ( MET_DATA%WR( c,r ) .LE. 0.0 ) THEN\n delta( c,r ) = 0.0\n ELSE\n delta( c,r ) = MET_DATA%WR( c,r ) / wrmax ! refer to SiB model\n delta( c,r ) = MIN( delta( c,r ), 1.0 )\n END IF\n\n END IF ! canopy wetness\n\n ! Assign a pH for rain water based on longitude if US simulation.\n ! Otherwise use default pH. Use pH value in HPLUS calculation.\n\n#ifdef mpas\n hplus = hplus_def\n#else\n IF ( ( ycent .GE. 30.0 ) .AND. ( ycent .LE. 45.0 ) .AND.\n & ( xcent .GE. -120.0 ) .AND. ( xcent .LE. -70.0 ) ) THEN\n IF ( GRID_DATA%LON( c,r ) .GT. -100.0 ) THEN\n hplus = hplus_east\n ELSE\n hplus = hplus_west\n END IF\n ELSE\n hplus = hplus_def\n END IF\n#endif\n\n ELSE ! water\n ! Calculate the water surface film temperature: wet bulb temperature.\n ! Wet bulb temperature based on eqn in Fritschen and Gay (1979).\n\n ctemp2 = temp2p0cr - stdtemp\n lv = lv0 - dlvdt * ctemp2\n cp_air = 1004.67 * ( 1.0 + 0.84 * q2p0cr ) ! [J/kg/K]\n tw = ( ( 4.71e4 * cp_air / lv ) - 0.870 ) + stdtemp ! [K]\n\n END IF ! land or water\n\n ! Loop over species to calculate dry deposition velocities.\n\n n = 0\n ddloop: DO l = 1, n_spc_m3dry\n\n IF ( .NOT. use_depspc( l ) ) CYCLE ddloop\n\n n = n + 1\n\n! IF ( ( NINT(GRID_DATA%LWMASK( c,r )) .EQ. 0 ) .OR. ( vegcr .EQ. 0.0 ) ) THEN ! water\n IF ( NINT(GRID_DATA%LWMASK( c,r )) .EQ. 0 ) THEN ! water\n\n IF ( l .EQ. l_HG ) THEN ! elemental mercury gas\n! calculate and save Henry's constant for use in HGSIM\n\n IF( HGBIDI ) THEN \n awhg = hlconst( subname( l ), tw, effective, hplus_h2o )* 0.08205 * tw\n ELSE\n rsurf = 1.0e30\n END IF\n ELSE ! any species other than elemental mercury gas\n\n ! Use CMAQ function for calculating the effective Henry's Law\n ! constant. Note that original M3DRY wants inverse, non-\n ! dimensional Henry's Law (caq/cg). Water pH is different\n ! than rain, and we need to use the water temperature.\n\n heff = hlconst( subname( l ), tw, effective, hplus_h2o )\n\n ! Make Henry's Law constant non-dimensional.\n\n heff = heff * 0.08205 * tw\n\n ! from Hayduk and Laudie\n dw25 = 13.26e-5 / ( 0.8904**1.14 * lebas( l )**0.589 )\n kvisw = 0.017 * EXP( -0.025 * ( tw - stdtemp ) )\n dw = dw25 * ( tw * rt25inK ) * ( 0.009025 / kvisw )\n scw_pr_23 = ( ( kvisw / dw ) / pr ) ** twothirds\n\n IF ( l .EQ. l_O3 ) THEN !implement Chang et al(2004)\nc pChang is a/H or alpha/H which would be 1/H in current model\nc note that in Chang et al (2004) and Garland et al (1980) their H is Cair/Cwater with is\nc the inverse of heff\n pChang = 1.75\n kwChang = (d3*ustarcr)/scw_pr_23\n\n\nc If a file of chlorophyll concentrations is provided, Iodide concentration are estimated from\nc a fit to the Rebello et al 1990 data. The slope and correlation are given in the paper\nc but not the intercept, so the data in Tables 3 & 4 were fit to get the relationship below.\nc The regression gives the concentration in umol/L and is converted to mol/L for use in Chang et al eq.\nc The slope and correlation are a slightly different than in Table 5.\nc If chlorophyll concs are not available, a constant value for [I-] of 100e-9 mol/l is used\nc Use ocean file variables to determine if the water cell is ocean or lake; method is only for ocean cells\n\n IF (((GRID_DATA%OCEAN(c,r) + GRID_DATA%SZONE(c,r)) .GT. 0) .AND. (MET_DATA%SEAICE(c,r) .LE. 0)) THEN\nc Iodide in sea-water based on SST (mol /dm-3)\n ciodide = 1.46E6 * EXP( -9134.0 / tempgcr)\n qiodide = ( ( 2.0e9 * ciodide * dw * 1e-4 ) ** 0.5 ) * heff\n rgw = 1.0 / ( pChang * kwchang + qiodide )\n ELSE ! O3 over land\n rgw = scw_pr_23 / ( heff * d3 * ustarcr )\n END IF\n ELSE ! other chems\n rgw = scw_pr_23 / ( heff * d3 * ustarcr )\n END IF\n\n rsurf = rgw\n\n END IF ! Hg\n\n ELSE ! land\n\n ! Use CMAQ function for calculating the effective Henry's Law\n ! constant. Note that original M3DRY wants inverse,\n ! non-dimensional Henry's Law (caq/cg).\n\n heff = hlconst( subname( l ), temp2p0cr, effective, hplus )\n\n ! Make Henry's Law constant non-dimensional.\n\n heff = heff * 0.08205 * temp2p0cr\n\n ! Wet surface resistance. (Note DELTA = CWC in ADOM lingo.)\n ! This now applies to cuticle and ground.\n\n IF ( l .Ne. l_O3 ) THEN \n rwet = rcw0 / heff ! wet cuticle\n ELSE\n ! Canopy level wet resistence Rwet to ozone was found to be about 200 s/m on basis of Keysburg exp\n ! Using LAI(1-sided) of about 6.25 measured at Keysburg gives leaf level rwet about 1250 s/m\n rwet = 1250.0 ! s/m\n ! Leaf level rwet estimated from Altimir et al 2006 gives about 1350 s/m\n END IF\n\n ! Dry snow resistance.\n\n rsnow = rsnow0 * a0 / ar( l )\n\n ! If the surface is cold and wet, use dry snow.\n\n IF ( tempgcr .LT. stdtemp ) THEN\n rwetsfc = rsnow\n ELSE\n rwetsfc = rwet\n END IF\n\n ! Dry cuticle resistance.\n\n IF( l .Eq. l_O3 ) THEN\n rh_func = max( 0.0,( MET_DATA%RH2( c,r ) - 70.0 )/30.0 )\n rcut = rcut0 * a0 / ar( l ) * ( 1.0 -rh_func) + rwetsfc * rh_func\n ELSE IF ( l .Eq. l_NH3 ) THEN\n ! rcut = 4000.0 * EXP( -0.054 * MET_DATA%RH( c,r ) )\n rcut = rwetsfc + (100.0-max(MET_DATA%RH2( c,r ),60.0))*laicr ! consistant with bidi\n ELSE \n rcut = rcut0 * a0 / ar( l )\n END IF\n\n! Dry ground resistance. (revised according to Erisman). Canopy height is assumed to be 10 * z0 according to PX-LSM\n \n hcan = MET_DATA%Z0( c,r ) * 10.0\n rinc = 14.0 * laicr * hcan / ustarcr\n IF ( depspc( l ) .NE. 'O3' ) THEN\n rgnd = rg0 * a0 / ar( l )\n rgw = rgwet0 / heff ! wet ground\n ELSE\n! Ozone soil resistence depends on soil moisture (Meszaros et al 2009, Biogeosci; Massman 2004, AE, Ran et al 2016, CMAS)\n IF ( tempgcr .GE. stdtemp ) THEN\n rgnd = 200. + 300. * MET_DATA%SOIM1(c,r)/GRID_DATA%WFC (c,r)\n rgnd = min (500.0, rgnd)\n rgw = 500. ! wet ground for ozone (Massman 2004)\n ELSE\n rgnd = 200. + (rsnow-200.) * MET_DATA%SOIM1(c,r)/GRID_DATA%WFC (c,r)\n rgnd = min (rsnow, rgnd)\n endif\n END IF \n\n IF ( tempgcr .LT. stdtemp ) THEN ! frozen ground water = ice\n rgw = rsnow\n END IF\n\n ! Determine the snow liquid water mass fraction (0.0 to 0.5).\n\n xm = 0.02 * ( temp2p0cr - ( stdtemp - 1.0 ) )**2\n xm = MIN (xm, 0.5)\n xm = MAX (xm, 0.0)\n IF ( temp2p0cr .LT. ( stdtemp - 1.0 ) ) xm = 0.0\n\n ! pathway through canopy to ground, either wet, dry, or snow\n\n rgndc = rinc + 1.0 / (real( 1-ifsnow )*( ( 1.0 - delta( c,r ) ) / \n & rgnd + delta( c,r ) / rgw ) + real( ifsnow )\n & * ( (1.0 - xm) / rsnow + xm / (rsndiff + rgw) ) )\n\n ! Bulk stomatal resistance; include mesophyll resistance.\n\n heff_ap = hlconst( subname( l ), temp2p0cr, effective, hplus_ap )\n\n rstom = MET_DATA%RS( c,r ) * dwat / dif0( l )\n & + 1.0 / ( heff_ap / 3000.0 + 100.0 * meso( l ) ) / laicr\n\n ! Bulk surface resistance.\n\n rci = vegcr\n & * ( 1.0/rstom + (1.0-delta( c,r ) ) * laicr / rcut\n & + ( delta( c,r ) * laicr / rwetsfc ) + 1.0 / rgndc )\n & + (1.0 - vegcr) * ( real( 1-ifsnow ) * ( (1.0-delta( c,r ) ) /\n & rgnd + delta( c,r ) / rgw) \n & + real( ifsnow ) * ( (1.0 - xm) / rsnow + xm / (rsndiff + rgw) ) )\n\n rsurf = 1.0 / rci\n\n END IF ! land or water cell\n\n ! Compute dry deposition velocity.\n\n rbc = 5.0 / ustarcr * scc_pr_23( l )\n rac = MET_DATA%RA( c,r ) + rbc\n\n depvel_gas( n,c,r ) = 1.0 / ( rsurf + rac )\n\nC--------------------------------------------------------------------------\n IF ( abflux .And. l .Eq. l_NH3 ) THEN ! Ammonia Bidirectional Flux\n cnh3 = cgridl1( n,c,r ) * MolNH3/MolAir * 1000.0 * Met_Data%DENS1( C,R ) ! convert to micrograms/m3\n\n IF ( NINT( GRID_DATA%LWMASK( c,r ) ) .NE. 0 .and. ifsnow .EQ. 0 ) THEN ! land\n\n CALL Get_Flux( cnh3,rwetsfc,rgw,r,c,l,tpvd,lnh3, rbc, rinc, \n > rstom, delta(c,r),rgnd,femis,fdep )\n pvd( n,c,r ) = tpvd * 0.001 * MolAir / (MolNH3 * Met_Data%DENS1( C,R ))\n nh3_ddep(c,r) = nh3_ddep(c,r) + fdep * dtsec * 1.0e-5 ! convert from microg/m2 to kg/ha\n! nh3_emis(c,r) = nh3_emis(c,r) + depvel_gas( n,c,r ) * cnh3* dtsec * 1.0e-5\n depvel_gas( n,c,r ) = lnh3\n ELSE ! water or snow covered\n! ddep_nh3(c,r) = ddep_nh3(c,r) + depvel_gas( n,c,r ) * cnh3 * dt(2) * 1.0e-5\n nh3_ddep(c,r) = nh3_ddep(c,r) + depvel_gas( n,c,r ) * cnh3* dtsec * 1.0e-5\n END IF\n END IF ! 'abflux'\n\nC--------------------------------------------------------------------------\n IF ( sfc_hono ) THEN\n\nC HONO production via heterogeneous reaction on ground surfaces,\nC 2NO2 = HONO + HNO3\nC Rate constant for the reaction = (3.0E-3/60)* (A/V),\nC where A/V is surface area/volume ratio\nC HONO is produced and released into the atmosphere\nC NO2 is lost via chemical reaction\nC HNO3 is sticky and stays on the surfaces\n\nC Calculate A/V for leaves.\nC LAI was multiplied by 2 to account for the fact that surface area\nC is provided by both sides of the leaves.\nC Matthews Jones, Ammonia deposition to semi-natural vegetation,\nC PhD dissertation, University of Dundee, Scotland, 2006\n\n surf_leaf = 2.0 * laicr / MET_DATA%ZF( c,r,1 )\n\nC Calculate A/V for buildings and other structures.\nC Buildings and other structures can provide additional surfaces in\nC urban areas for the heterogeneous reaction to occur. However, such\nC information is not readily available; in the absence of such information,\nC it is scaled to purb(c,r). Svensson et al., (1987) suggests a typical value\nC of 0.2 for A/V for buildings in urban environments. A maximum value of 0.2\nC for A/V for buildings is assigned to the grid cell containing the highest\nC purb(c,r) i.e., 100.0. A/V for buildings for other grid-cell is calculated\nC as purb(c,r)*(0.2/100.0); Cai et al. (2006) used a value of 1.0 for their\nC study at New York (total A/V)\n\n surf_bldg = GRID_DATA%PURB( c,r ) * 0.002\n\nC Calculate rate constant for the reaction (psudeo-first order reaction,\nC unit per second). Calculate pseudo-first order rate constant using Eq 1\nC of Vogel et al. (2003). Unit of KNO2 is in 1/min in the paper; divide it\nC by 60 to convert it into 1/sec.\n\n! kno2 = MAX( 0.0, 3.0E-3 * (surf_leaf + surf_bldg) / 60.0 )\n kno2 = MAX( 0.0, 5.0E-5 * (surf_leaf + surf_bldg) )\n\nC Determine NO2 concentration needed for HONO production term.\n\n IF ( l .EQ. l_NO2 ) THEN\n conc_no2 = cgridl1( n,c,r )\n\n#ifdef sens\n DO NP = 1, NPMAX\n s_conc_no2( NP ) = s_cgridl1( NP, n,c,r )\n END DO\n#endif\n\nC Loss of NO2 via the heterogeneous reaction is accounted as additional\nC depositional loss. Add the loss of NO2 via the heterogeneous reaction\nC to the regular deposition velocity (increased dep. vel.). This will\nC reduce the NO2 conc. in the atmosphere. Dep vel is adjusted back to the\nC original value in vdiffacm2 after NO2 conc is reduced but before calculating\nC depositional loss.\n\n! depvel_gas( n,c,r ) = depvel_gas( n,c,r ) + 2.0 * kno2 * zf( c,r )\n\n END IF\n\nC Calculate production (pvd) for HONO; unit = ppm * m/s\n\n IF ( l .EQ. l_HONO)\n & pvd( n,c,r ) = kno2 * conc_no2 * MET_DATA%ZF( c,r,1 )\n#ifdef sens\n IF ( l .EQ. l_HONO) THEN\n DO NP = 1, NPMAX\n s_pvd( NP,n,c,r ) = kno2 * s_conc_no2( NP ) * MET_DATA%ZF( c,r,1 )\n END DO\n END IF\n#endif\n END IF\nC--------------------------------------------------------------------------\nC Bidirectional mercury flux section\nC--------------------------------------------------------------------------\n\n IF ( HGBIDI .AND. l .EQ. l_HG ) THEN\n\n chg = cgridl1( n_HG,c,r )\n\n IF ( NINT( GRID_DATA%LWMASK( c,r ) ) .EQ. 0 .AND. ( vegcr .EQ. 0.0 )) THEN ! water\n\n depvel_gas( n_Hg,c,r ) = 1.0 / ( rsurf + rac )\n vdhg = depvel_gas( n_Hg,c,r )\n pvd( n_Hg,c,r ) = 0.0 ! in the nether regions of LU/LC\n\n ELSE ! terrestrial\n\n awhg = hlconst( subname( l ), temp2p0cr, effective, hplus )* 0.08205 * temp2p0cr\n\nC************* Call the Hg air surface exchange subroutine *************************************************\n CALL ATX(rbc, rcut, rwetsfc, rinc,rsnow, rgw, ifsnow, xm, dvel, chg, awhg,\n & dpvd, delta( c,r ),idt, c, r, l_HG, jdate, jtime )\n\n pvd( n_HG,c,r ) = dpvd\n\n depvel_gas( n_HG,c,r ) = dvel\n\n END IF ! water\n\n END IF ! 'HG'\n\n ! Check for negative values or NaN's\n\n IF ( depvel_gas( n,c,r ) .LT. 0.0 .OR.\n & depvel_gas( n,c,r ) .NE. depvel_gas( n,c,r ) ) GO TO 999 \n\n END DO ddloop ! (l = 1, n_spc_m3dry)\n\n IF ( HGBIDI .AND. NINT( GRID_DATA%LWMASK( c,r ) ) .EQ. 0 .AND. ( vegcr .EQ. 0.0 )) THEN ! water\n\n chgIIgas = cgridl1( n_HGII,c,r )\n vdhgII = depvel_gas( n_HGII,c,r )\n\n CALL ASWX( chg, chgIIgas, vdhg, vdhgII, awhg,\n & dpvd, c, r, jdate, jtime, idt )\n\n pvd( n_Hg,c,r ) = dpvd\n\n END IF ! water\n\n END DO ! c\n END DO ! r\n\n RETURN\n\nC-------------------------------------------------------------------------------\nC Error-handling section.\nC-------------------------------------------------------------------------------\n\n999 CONTINUE\n WRITE( logdev,9003 ) c, r, TRIM( subname( l ) ), depvel_gas( n,c,r )\n xmsg = 'ABORT'\n\n1001 CONTINUE\n\n CALL m3exit( pname, jdate, jtime, xmsg, xstat1 )\n\n RETURN\n\nC-------------------------------------------------------------------------------\nC Format statements.\nC-------------------------------------------------------------------------------\n\n6501 FORMAT(/ 1x, 70('='),\n & / 1x, '--- Subroutine: M3DRY',\n & / 1x, '--- Found canopy wetness (WR) in MET_CRO_2D ',\n & / 1x, 70('=') /)\n\n6503 FORMAT(/ 1x, 70('='),\n & / 1x, '--- Subroutine: M3DRY',\n & / 1x, '--- Found 2-m water vapor mixing ratio (Q2) in MET_CRO_2D',\n & / 1x, 70('=') /)\n\n9001 FORMAT( 'Failure reading ', a, 1x, 'from ', a )\n\n9003 FORMAT(/ 1x, 70('*'),\n & / 1x, '*** Subroutine: M3DRY',\n & / 1x, '*** NEGATIVE or UNDEFINED Dry Deposition Velocity',\n & / 1x, '*** Point = ', 2i5,\n & / 1x, '*** Species = ', a,\n & / 1x, '*** Vd = ', e13.6,\n & / 1x, 70('*') /)\n\n9005 FORMAT(/ 1x, 70('*'),\n & / 1x, '*** Subroutine: M3DRY',\n & / 1x, '*** Bidirectional flux for ammonia assumes ',\n & / 1x, '*** USGS 24-category land use.',\n & / 1x, '*** Need to update N_LUFRAC, LUF_FAC, and other places',\n & / 1x, '*** Land use description is: ', a,\n & / 1x, 70('*') /)\n9033 FORMAT(/ 1x, 70('*'),\n & / 1x, '*** Subroutine: M3DRY',\n & / 1x, '*** NEGATIVE or UNDEFINED Land use specific Dry Deposition Velocity',\n & / 1x, '*** Column = ', i5,\n & / 1x, '*** Row = ', i5,\n & / 1x, '*** Luc = ', i5,\n & / 1x, '*** Species = ', a,\n & / 1x, '*** Vd = ', e13.6,\n & / 1x, '*** lai = ', g10.3,\n & / 1x, '*** z0 = ', g10.3,\n & / 1x, '*** ustar = ', g10.3,\n & / 1x, '*** rgndc = ', g10.3,\n & / 1x, '*** Ra = ', g10.3,\n & / 1x, '*** Rbc = ', g10.3,\n & / 1x, '*** Rsurf = ', g10.3,\n & / 1x, '*** Rstom = ', g10.3,\n & / 1x, '*** Rcut = ', g10.3,\n & / 1x, '*** Rwetsfc = ', g10.3,\n & / 1x, '*** Rgnd = ', g10.3,\n & / 1x, '*** Rgw = ', g10.3,\n & / 1x, '*** Delta = ', g10.3,\n & / 1x, '*** Veg = ', g10.3,\n & / 1x, '*** Xm = ', g10.3,\n & / 1x, '*** Rsndiff = ', g10.3,\n & / 1x, '*** ifsnow = ', i6\n & / 1x, 70('*') /)\n\n9034 FORMAT(/ 1x, 70('*'),\n & / 1x, '*** Subroutine: M3DRY',\n & / 1x, '*** NEGATIVE or UNDEFINED Land use specific Dry Deposition Velocity',\n & / 1x, '*** Column = ', i5,\n & / 1x, '*** Row = ', i5,\n & / 1x, '*** Luc = ', i5,\n & / 1x, '*** Species = ', a,\n & / 1x, '*** Vdfstj = ', e13.6,\n & / 1x, '*** Rcanj = ', e13.6,\n & / 1x, '*** Rstcj = ', e13.6,\n & / 1x, '*** Rstomj = ', e13.6,\n & / 1x, 70('*') /)\n\n END SUBROUTINE m3dry\n" }, { "path": "CCTM/src/depv/m3dry/opdepv_diag.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE OPDEPV_DIAG ( JDATE, JTIME, TSTEP,\n & N_GDEPV_NAMES, GDEPV_NAMES,\n & N_ADEPV_NAMES, ADEPV_NAMES )\n! & N_SDEPV_NAMES, SDEPV_NAMES)\n\nC 2006-Jun-30 - created by W Hutzell\nC 2006-Dec-05 - modified by J.Young\nC 2010-Jan-29 - removed unneccesary CLOSE3 statement for CTM_DEPV_DIAG file\nC to eliminate potential MPI race condition (D.Wong)\nC 2011-Feb-16 - replaced I/O API include files with UTILIO_DEFN (S.Roselle)\nC 2011-May-20 - modified diagnostic file header creation (D.Schwede)\nC 2015-Aug - added a conditional statement to allow only I/O\nC processors to open CTM_DEPV_DIAG file (D. Wong)\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE DEPVVARS\n USE UTILIO_DEFN\n! USE pio_module\n\n IMPLICIT NONE\n \n INCLUDE SUBST_FILES_ID ! file name parameters\n\nC Arguments:\n\n INTEGER, INTENT( IN ) :: JDATE ! current model date, coded YYYYDDD\n INTEGER, INTENT( IN ) :: JTIME ! current model time, coded HHMMSS\n INTEGER, INTENT( IN ) :: TSTEP ! output time step\n\nC number and names of gas deposition velocities\n INTEGER, INTENT( IN ) :: N_GDEPV_NAMES\n CHARACTER( 16 ), INTENT( IN ) :: GDEPV_NAMES( : )\n\nC number and names of aerosol deposition velocities\n INTEGER, INTENT( IN ) :: N_ADEPV_NAMES\n CHARACTER( 16 ), INTENT( IN ) :: ADEPV_NAMES( : )\n\nC number and names of (SOA+aerosol) species deposition velocities\n! INTEGER, INTENT( IN ) :: N_SDEPV_NAMES\n! CHARACTER( 16 ), INTENT( IN ) :: SDEPV_NAMES( : )\n\nC Local variables:\n\n CHARACTER( 16 ) :: PNAME = 'OPDDEP_DIAG'\n CHARACTER( 96 ) :: XMSG = ' '\n\n INTEGER V, N, L ! loop induction variables\n\nC-----------------------------------------------------------------------\n\n#ifndef mpas\nC Try to open existing file for update\n\n IF ( IO_PE_INCLUSIVE ) THEN ! open new\n\n IF ( .NOT. OPEN3( CTM_DEPV_DIAG, FSRDWR3, PNAME ) ) THEN\n\n XMSG = 'Could not open ' // CTM_DEPV_DIAG // ' file for update - '\n & // 'try to open new'\n CALL M3MESG( XMSG )\n\nC Set output file characteristics based on GRIDDESC and open the dep velocity dignostic file\n\n SDATE3D = JDATE\n STIME3D = JTIME\n TSTEP3D = TSTEP\n CALL NEXTIME( SDATE3D, STIME3D, TSTEP3D ) ! start the next hour\n\n FTYPE3D = GRDDED3\n! NVARS3D = N_GDEPV_NAMES + N_ADEPV_NAMES + N_SDEPV_NAMES\n NVARS3D = N_GDEPV_NAMES + N_ADEPV_NAMES\n NCOLS3D = GL_NCOLS\n NROWS3D = GL_NROWS\n NLAYS3D = 1\n NTHIK3D = 1\n GDTYP3D = GDTYP_GD\n P_ALP3D = P_ALP_GD\n P_BET3D = P_BET_GD \n P_GAM3D = P_GAM_GD\n XORIG3D = XORIG_GD\n YORIG3D = YORIG_GD\n XCENT3D = XCENT_GD\n YCENT3D = YCENT_GD\n XCELL3D = XCELL_GD\n YCELL3D = YCELL_GD\n VGTYP3D = VGTYP_GD\n VGTOP3D = VGTOP_GD\n DO L = 1, NLAYS3D + 1\n VGLVS3D( L ) = VGLVS_GD( L )\n END DO\n GDNAM3D = GRID_NAME ! from HGRD_DEFN\n\n FDESC3D = ' ' ! array\n\n L = LEN_TRIM( DEPV_METHOD )\n FDESC3D( 1 ) = 'Instanteous values of dry deposition velocities:'\n & // ' the gas phase velocities are' \n FDESC3D( 2 ) = 'estimated by the '\n & // DEPV_METHOD( 1:L ) // ' algorithm.'\n\n N = 0\n\n DO V = 1, N_GDEPV_NAMES\n N = N + 1\n VTYPE3D( V ) = M3REAL\n VNAME3D( V ) = GDEPV_NAMES( V )\n UNITS3D( V ) = 'cm s-1'\n VDESC3D( V ) = 'gas phase dry deposition velocity'\n END DO\n\n N = N_GDEPV_NAMES\n\n DO V = 1, N_ADEPV_NAMES\n N = N + 1\n VTYPE3D( N ) = M3REAL\n VNAME3D( N ) = ADEPV_NAMES( V )\n UNITS3D( N ) = 'cm s-1'\n VDESC3D( N ) = 'aerosol phase dry deposition velocity'\n END DO\n\n! N = N_GDEPV_NAMES + N_ADEPV_NAMES\n\n! DO V = 1, N_SDEPV_NAMES\n! N = N + 1\n! VTYPE3D( N ) = M3REAL\n! VNAME3D( N ) = SDEPV_NAMES( V )\n! UNITS3D( N ) = 'cm s-1'\n! VDESC3D( N ) = 'deposition velocity for (GAS-AEROSOL) '\n! & // ' semi-volatile compound'\n! END DO\n\nC Open diagnostic file, then close it for subsequent open by all processors\n\n IF ( .NOT. OPEN3( CTM_DEPV_DIAG, FSNEW3, PNAME ) ) THEN\n XMSG = 'Could not create '// TRIM( CTM_DEPV_DIAG ) // ' file'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n END IF\n END IF ! IO_PE_INCLUSIVE\n#endif\n\n RETURN\n END\n" }, { "path": "CCTM/src/depv/stage/BIDI_MOD.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nc:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n Module Bidi_Mod\n\nC Contains the shared variables and subroutines needed for the bidirectional \nC flux models in CMAQ\nC\nC OPASX_MEDIA - Opens the output file for NH4+ and H+ in the soil water solution\nC \nC Revision History: J. Bash Mar 15 11: Created\nC J. Bash May 11 11: Updated for CMAQ 5.0\nC D. Wong Feb 01 19: removed all MY_N clauses\n\n Implicit None\n! Private variables\n Integer, Parameter, Private :: NHx_AQ_CONC = 4\n Integer, Parameter, Private :: NHx_GAS_CONC = 0 \n Integer, Parameter, Private :: NHx_SOL_CONC = 0 \n Integer, Parameter, Private :: NHx_TOT = NHx_AQ_CONC + NHx_GAS_CONC + NHx_SOL_CONC \n Integer, Parameter, Private :: HG_AQ_CONC = 3\n Integer, Parameter, Private :: HG_GAS_CONC = 1 \n Integer, Parameter, Private :: HG_SOL_CONC = 2 \n \n Integer, Save, Private :: N_Hg\n Character( 96 ), Private :: XMSG = ' '\n! shared variables\n Character( 16 ), Save , Allocatable :: MEDIA_NAMES( : )\n Character( 16 ), Save , Allocatable :: MEDIA_UNITS( : )\n Character( 80 ), Save , Allocatable :: MEDIA_DESCR( : )\n\n Integer, Parameter :: HG_TOT = HG_AQ_CONC + HG_GAS_CONC + HG_SOL_CONC \n Integer, Save :: N_TOT\n Real, Save, Allocatable :: gamma1 ( :,: ) ! soil NH4/H\n Real, Save, Allocatable :: gamma2 ( :,: ) ! soil NH4/H\n Real, Save, Allocatable :: MHp1 ( :,: ) ! molar H+\n Real, Save, Allocatable :: MHp2 ( :,: ) ! molar H+ \n Real, Save, Allocatable :: CMEDIA ( :,:,: ) ! surface layer concs \n\n Logical, Save :: INIT_LAI \n Logical, Save :: INIT_COMP \n\n\n Contains \n Subroutine INIT_BIDI()\n Use GRID_CONF\n Use CGRID_SPCS ! CGRID mechanism species\n Use UTILIO_DEFN\n Use RUNTIME_VARS\n \n Implicit None\n \nC... Local:\n \n Character( 16 ) :: PNAME = 'INIT_BIDI '\n Integer :: STATUS\n Logical, SAVE :: INITIALIZED = .FALSE.\n \nC--------------------------------------------------------------------------\nC Prevent initializing the code twice \n If ( INITIALIZED ) Return \n INITIALIZED = .TRUE.\n\n If ( ABFLUX .And. .Not. HGBIDI ) Then\n \n N_TOT = NHx_TOT\n N_Hg = 0 \n Allocate( MEDIA_NAMES( N_TOT ), MEDIA_UNITS( N_TOT ), MEDIA_DESCR( N_TOT ) )\n\n MEDIA_NAMES( 1 ) = 'Gamma1 '\n MEDIA_UNITS( 1 ) = ' '\n MEDIA_DESCR( 1 ) = 'NH4+/H+ in Soil layer 1'\n MEDIA_NAMES( 2 ) = 'Gamma2 '\n MEDIA_UNITS( 2 ) = ' '\n MEDIA_DESCR( 2 ) = 'NH4+/H+ in Soil layer 2'\n MEDIA_NAMES( 3 ) = 'MHpsl1 '\n MEDIA_UNITS( 3 ) = 'mol/l'\n MEDIA_DESCR( 3 ) = 'Molar H+ in Soil layer 1'\n MEDIA_NAMES( 4 ) = 'MHpsl2 '\n MEDIA_UNITS( 4 ) = 'mol/l'\n MEDIA_DESCR( 4 ) = 'Molar H+ in Soil layer 2'\n \n Else If ( .Not. ABFLUX .And. HGBIDI ) Then\n N_TOT = HG_TOT\n N_Hg = HG_TOT\n Allocate( MEDIA_NAMES( HG_TOT ), MEDIA_UNITS( N_TOT ), MEDIA_DESCR( N_TOT ) )\n\n MEDIA_NAMES( 1 ) = 'DGM ' ! Dissolved gaseous Hg\n MEDIA_UNITS( 1 ) = 'umol mol-1' \n MEDIA_DESCR( 1 ) = 'Surface water dissolved Hg(0)'\n MEDIA_NAMES( 2 ) = 'DRM ' ! Dissolved reactive Hg\n MEDIA_UNITS( 2 ) = 'umol mol-1' \n MEDIA_DESCR( 2 ) = 'Surface water dissolved Hg(II)'\n MEDIA_NAMES( 3 ) = 'HGSOIL '\n MEDIA_UNITS( 3 ) = 'umol mol-1' \n MEDIA_DESCR( 3 ) = 'Soil water dissolved Hg(0)'\n MEDIA_NAMES( 4 ) = 'HGZ0 '\n MEDIA_UNITS( 4 ) = 'ppmV' \n MEDIA_DESCR( 4 ) = 'Hg(0) compensation point'\n MEDIA_NAMES( 5 ) = 'HGMES ' ! mesophyll Hg\n MEDIA_UNITS( 5 ) = 'umol g-1' \n MEDIA_DESCR( 5 ) = 'Hg(0) bound to leaf mesophyll'\n MEDIA_NAMES( 6 ) = 'HGCUT ' ! cuticular Hg \n MEDIA_UNITS( 6 ) = 'umol g-1' \n MEDIA_DESCR( 6 ) = 'Hg(0) bound to vegetation surfaces' \n \n Else If ( ABFLUX .And. HGBIDI ) Then\n N_TOT = HG_TOT + NHx_TOT\n N_Hg = HG_TOT\n Allocate( MEDIA_NAMES( N_TOT ), MEDIA_UNITS( N_TOT ), MEDIA_DESCR( N_TOT ) )\n\n MEDIA_NAMES( 1 ) = 'DGM ' ! Dissolved gaseous Hg\n MEDIA_UNITS( 1 ) = 'umol mol-1' \n MEDIA_DESCR( 1 ) = 'Surface water dissolved Hg(0)'\n MEDIA_NAMES( 2 ) = 'DRM ' ! Dissolved reactive Hg\n MEDIA_UNITS( 2 ) = 'umol mol-1' \n MEDIA_DESCR( 2 ) = 'Surface water dissolved Hg(II)'\n MEDIA_NAMES( 3 ) = 'HGSOIL '\n MEDIA_UNITS( 3 ) = 'umol mol-1' \n MEDIA_DESCR( 3 ) = 'Soil water dissolved Hg(0)'\n MEDIA_NAMES( 4 ) = 'HGZ0 '\n MEDIA_UNITS( 4 ) = 'ppmV' \n MEDIA_DESCR( 4 ) = 'Hg(0) compensation point'\n MEDIA_NAMES( 5 ) = 'HGMES ' ! mesophyll Hg\n MEDIA_UNITS( 5 ) = 'umol g-1' \n MEDIA_DESCR( 5 ) = 'Hg(0) bound to leaf mesophyll'\n MEDIA_NAMES( 6 ) = 'HGCUT ' ! cuticular Hg \n MEDIA_UNITS( 6 ) = 'umol g-1' \n MEDIA_DESCR( 6 ) = 'Hg(0) bound to vegetation surfaces' \n MEDIA_NAMES( 7 ) = 'Gamma1 ' \n MEDIA_UNITS( 7 ) = '' \n MEDIA_DESCR( 7 ) = 'NH4+/H+ in Soil layer 1'\n MEDIA_NAMES( 8 ) = 'Gamma2 '\n MEDIA_UNITS( 8 ) = '' \n MEDIA_DESCR( 8 ) = 'NH4+/H+ in Soil layer 2'\n MEDIA_NAMES( 9 ) = 'MHpsl1'\n MEDIA_UNITS( 9 ) = 'mol L-1' \n MEDIA_DESCR( 9 ) = 'Molar H+ in Soil layer 1'\n MEDIA_NAMES( 10 ) = 'MHpsl2 '\n MEDIA_UNITS( 10 ) = 'mol L-1' \n MEDIA_DESCR( 10 ) = 'Molar H+ in Soil layer 2'\n \n End If\n \n ! allocate the media array variable\n If ( .Not. Allocated ( CMEDIA ) ) Then\n Allocate ( CMEDIA( NCOLS,NROWS,N_TOT ) )\n CMEDIA = 0.0\n End If \n \n Return\n \n End Subroutine INIT_BIDI\n!*****************************************************************************\n!************** Iput / output section of the module **************************\n!*****************************************************************************\n\n Subroutine OPASX_MEDIA( JDATE, JTIME, TSTEP )\n\n Use GRID_CONF\n Use CGRID_SPCS ! CGRID mechanism species\n Use UTILIO_DEFN\n\n Implicit None\n\n Include SUBST_FILES_ID ! file name parameters\n\n Integer, Intent( In ) :: JDATE\n Integer, Intent( In ) :: JTIME\n Integer, Intent( In ) :: TSTEP\n\n Character( 16 ) :: PNAME = 'OPASX_MEDIA '\n Character( 96 ) :: MSG = ' '\n\n Integer N, V, L\n \nC--------------------------------------------------------------------------\n \n If ( ABFLUX .And. .Not. HGBIDI) Then\n\n If ( .Not. OPEN3( MEDIA_CONC, FSRDWR3, PNAME ) ) Then\n\n XMSG = 'Could not open ' // MEDIA_CONC // ' file for update - '\n & // 'try to open new'\n Call M3MESG( XMSG )\n\n FTYPE3D = GRDDED3\n SDATE3D = JDATE\n STIME3D = JTIME\n TSTEP3D = TSTEP\n Call NEXTIME( SDATE3D, STIME3D, TSTEP3D ) ! start the next hour\n\n NVARS3D = N_TOT\n NCOLS3D = GL_NCOLS\n NROWS3D = GL_NROWS\n NLAYS3D = 1\n NTHIK3D = 1\n GDTYP3D = GDTYP_GD\n P_ALP3D = P_ALP_GD\n P_BET3D = P_BET_GD\n P_GAM3D = P_GAM_GD\n XORIG3D = XORIG_GD\n YORIG3D = YORIG_GD\n XCENT3D = XCENT_GD\n YCENT3D = YCENT_GD\n XCELL3D = XCELL_GD\n YCELL3D = YCELL_GD\n VGTYP3D = VGTYP_GD\n VGTOP3D = VGTOP_GD\n Do L = 1, NLAYS3D + 1\n VGLVS3D( L ) = VGLVS_GD( L )\n End Do\n GDNAM3D = GRID_NAME ! from HGRD_DEFN\n\n FDESC3D = ' ' ! array\n\n FDESC3D( 1 ) = 'Multimedia concentration estimates from integrated ambient '\n & // 'NH3 concentrations and surface exchange algorithms'\n \n N = 0\n\n Do V = 1, NHx_AQ_CONC\n N = N + 1\n VTYPE3D( N ) = M3REAL\n VNAME3D( N ) = MEDIA_NAMES( N )\n UNITS3D( N ) = 'mol L-1'\n VDESC3D( N ) = 'aqueous phase concentration'\n End Do\n\n N = NHx_AQ_CONC\n\n Do V = 1, NHx_GAS_CONC\n N = N + 1\n VTYPE3D( N ) = M3REAL\n VNAME3D( N ) = MEDIA_NAMES( N )\n UNITS3D( N ) = 'ppmV'\n VDESC3D( N ) = 'gas phase concentration'\n End Do\n\n N = NHx_AQ_CONC + NHx_GAS_CONC\n\n Do V = 1, NHx_SOL_CONC\n N = N + 1\n VTYPE3D( N ) = M3REAL\n VNAME3D( N ) = MEDIA_NAMES( N )\n UNITS3D( N ) = 'umol g-1'\n VDESC3D( N ) = 'Solid phase concentration'\n End Do \n End If\n \n Else If ( .Not. ABFLUX .And. HGBIDI ) Then \n \n If ( .Not. OPEN3( MEDIA_CONC, FSRDWR3, PNAME ) ) Then!\n\n XMSG = 'Could not open ' // MEDIA_CONC // ' file for update - '\n & // 'try to open new'\n Call M3MESG( XMSG )\n\n FTYPE3D = GRDDED3\n SDATE3D = JDATE\n STIME3D = JTIME\n TSTEP3D = TSTEP\n Call NEXTIME( SDATE3D, STIME3D, TSTEP3D ) ! start the next hour \n NVARS3D = N_TOT\n NCOLS3D = GL_NCOLS\n NROWS3D = GL_NROWS\n NLAYS3D = 1\n NTHIK3D = 1\n GDTYP3D = GDTYP_GD\n P_ALP3D = P_ALP_GD\n P_BET3D = P_BET_GD\n P_GAM3D = P_GAM_GD\n XORIG3D = XORIG_GD\n YORIG3D = YORIG_GD\n XCENT3D = XCENT_GD\n YCENT3D = YCENT_GD\n XCELL3D = XCELL_GD\n YCELL3D = YCELL_GD\n VGTYP3D = VGTYP_GD\n VGTOP3D = VGTOP_GD\n\n FDESC3D = ' ' ! array\n\n FDESC3D( 1 ) = 'Multimedia concentration estimates from integrated ambient '\n & // 'HG concentrations and surface exchange algorithms'\n\n NLAYS3D = 1\n\n N = 0\n\n Do V = 1, HG_AQ_CONC\n N = N + 1\n VTYPE3D( N ) = M3REAL\n VNAME3D( N ) = MEDIA_NAMES( N )\n UNITS3D( N ) = 'umol mol-1'\n VDESC3D( N ) = 'aqueous phase concentration'\n End Do\n\n N = HG_AQ_CONC\n\n Do V = 1, HG_GAS_CONC\n N = N + 1\n VTYPE3D( N ) = M3REAL\n VNAME3D( N ) = MEDIA_NAMES( N )\n UNITS3D( N ) = 'ppmV'\n VDESC3D( N ) = 'gas phase concentration'\n End Do\n\n N = HG_AQ_CONC + HG_GAS_CONC\n\n Do V = 1, HG_SOL_CONC\n N = N + 1\n VTYPE3D( N ) = M3REAL\n VNAME3D( N ) = MEDIA_NAMES( N )\n UNITS3D( N ) = 'umol g-1'\n VDESC3D( N ) = 'Solid phase concentration'\n End Do\n End If\n \n Else If ( ABFLUX .And. HGBIDI ) Then \n \n If ( .Not. OPEN3( MEDIA_CONC, FSRDWR3, PNAME ) ) Then\n\n XMSG = 'Could not open ' // MEDIA_CONC // ' file for update - '\n & // 'try to open new'\n Call M3MESG( XMSG )\n\n FTYPE3D = GRDDED3\n SDATE3D = JDATE\n STIME3D = JTIME\n TSTEP3D = TSTEP\n Call NEXTIME( SDATE3D, STIME3D, TSTEP3D ) ! start the next hour \n NVARS3D = N_TOT\n NCOLS3D = GL_NCOLS\n NROWS3D = GL_NROWS\n NLAYS3D = 1\n NTHIK3D = 1\n GDTYP3D = GDTYP_GD\n P_ALP3D = P_ALP_GD\n P_BET3D = P_BET_GD\n P_GAM3D = P_GAM_GD\n XORIG3D = XORIG_GD\n YORIG3D = YORIG_GD\n XCENT3D = XCENT_GD\n YCENT3D = YCENT_GD\n XCELL3D = XCELL_GD\n YCELL3D = YCELL_GD\n VGTYP3D = VGTYP_GD\n VGTOP3D = VGTOP_GD\n\n FDESC3D = ' ' ! array\n\n FDESC3D( 1 ) = 'Multimedia concentration estimates from integrated ambient '\n & // 'NH3 and HG concentrations and surface exchange algorithms'\n\n NLAYS3D = 1\n\n N = 0\n\n Do V = 1, HG_AQ_CONC\n N = N + 1\n VTYPE3D( N ) = M3REAL\n VNAME3D( N ) = MEDIA_NAMES( N )\n UNITS3D( N ) = 'umol mol-1'\n VDESC3D( N ) = 'aqueous phase concentration'\n End Do\n\n N = HG_AQ_CONC\n\n Do V = 1, HG_GAS_CONC\n N = N + 1\n VTYPE3D( N ) = M3REAL\n VNAME3D( N ) = MEDIA_NAMES( N )\n UNITS3D( N ) = 'ppmV'\n VDESC3D( N ) = 'gas phase concentration'\n End Do\n\n N = HG_AQ_CONC + HG_GAS_CONC\n\n Do V = 1, HG_SOL_CONC\n N = N + 1\n VTYPE3D( N ) = M3REAL\n VNAME3D( N ) = MEDIA_NAMES( N )\n UNITS3D( N ) = 'umol g-1'\n VDESC3D( N ) = 'Solid phase concentration'\n End Do\n \n N = HG_TOT\n\n Do V = 1, NHx_AQ_CONC\n N = N + 1\n VTYPE3D( N ) = M3REAL\n VNAME3D( N ) = MEDIA_NAMES( N )\n UNITS3D( N ) = 'mol L-1'\n VDESC3D( N ) = 'aqueous phase concentration'\n End Do\n\n N = HG_TOT + NHx_AQ_CONC\n\n Do V = 1, NHx_GAS_CONC\n N = N + 1\n VTYPE3D( N ) = M3REAL\n VNAME3D( N ) = MEDIA_NAMES( N )\n UNITS3D( N ) = 'ppmV'\n VDESC3D( N ) = 'gas phase concentration'\n End Do\n\n N = HG_TOT + NHx_AQ_CONC + NHx_GAS_CONC\n\n Do V = 1, NHx_SOL_CONC\n N = N + 1\n VTYPE3D( N ) = M3REAL\n VNAME3D( N ) = MEDIA_NAMES( N )\n UNITS3D( N ) = 'umol g-1'\n VDESC3D( N ) = 'Solid phase concentration'\n End Do \n End If\n \n End If \n! Open file, then close it for subsequent open by all processors\n \n If ( .Not. OPEN3( MEDIA_CONC, FSNEW3, PNAME ) ) Then\n XMSG = 'Could not create '// TRIM( MEDIA_CONC) // ' file'\n Call M3EXIT( PNAME, SDATE3D, STIME3D, XMSG, XSTAT1 )\n End If \n\n Return\n\n End Subroutine OPASX_MEDIA\n\n!****************************************************************************\n\n Subroutine WRASX_MEDIA( MDATE, MTIME )\n\n! Revision History.\n! Aug 12, 15 D. Wong: added code to handle parallel I/O implementation\n! Jan 16, 16 J. Young: update log file once per output; consistent tokens\n\n Use GRID_CONF ! horizontal grid specifications\n Use UTILIO_DEFN\n\n Implicit None\n\n Include SUBST_FILES_ID ! file name parameters\n\n Integer, Intent( In ) :: MDATE\n Integer, Intent( In ) :: MTIME\n\n Logical, Save :: FIRSTIME = .TRUE.\n\n Real WRMC( NCols,NRows ) ! media write buffer\n Integer V, R, C\n\n Character( 16 ) :: PNAME = 'WRASX_MEDIA '\n \n!***************************************************************************** \n \n If ( HGBIDI ) Then\n INIT_LAI = .FALSE. \n INIT_COMP = .FALSE. \n End If\n \n If ( ABFLUX ) Then\n Do R = 1, NRows\n Do C = 1, NCols\n CMedia( C,R,N_Hg+1 ) = Gamma1( C,R )\n CMedia( C,R,N_Hg+2 ) = Gamma2( C,R )\n CMedia( C,R,N_Hg+3 ) = MHp1( C,R )\n CMedia( C,R,N_Hg+4 ) = MHp2( C,R )\n End Do\n End Do\n End If\n\n#ifdef parallel_io\n If ( FIRSTIME ) Then\n FIRSTIME = .FALSE.\n If ( .Not. IO_PE_INCLUSIVE ) Then\n If ( .Not. OPEN3( MEDIA_CONC, FSREAD3, PNAME ) ) Then\n XMSG = 'Could not open ' // TRIM( MEDIA_CONC )\n Call M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n End If\n End If\n End If\n#endif\n \n Do V = 1, N_TOT ! species/media loop\n Do R = 1, NRows ! row loop\n Do C = 1,NCols ! column loop\n WRMC( C, R ) = CMEDIA( C,R,V )\n End Do\n End Do\n\n If ( .Not. WRITE3( MEDIA_CONC, MEDIA_NAMES( V ), MDATE, MTIME,\n & WRMC ) ) Then\n XMSG = 'Could not write ' // MEDIA_CONC // ' file'\n Call M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n End If\n\n End Do \n\n Write( LOGDEV, '( /5X, A, I8, \":\", I6.6 )' )\n & 'Timestep written to \"' // TRIM( MEDIA_CONC ) //\n & '\" for date and time', MDATE, MTIME\n\n Return\n\n End Subroutine WRASX_MEDIA\n\n End Module Bidi_Mod \n" }, { "path": "CCTM/src/depv/stage/CMAQ_Control_STAGE.nml", "content": "!------------------------------------------------------------------------------!\n! This namelist contains the master deposition species table and is used to !\n! match deposition species with the deposited species in the GC, TR, and NR !\n! namelists. The columns contain the deposited species name, its relative !\n! reactivity, the f0 of the Wesely (1989) mesophyll resistance model, its !\n! molar volume in L mol-1, and mass accommodation coefficient. The relative !\n! reactivity describes the bulk resistance to vegetation and soil due to !\n! condensation, e.g. low vapor pressure organic compounds, or heterogeneous !\n! surface reactions, e.g. oxidation. f0 is used to calculate the mesophyll !\n! resistance where observations indicate that stomatal deposition is faster !\n! than can be described by trace gas solubility, e.g. O3 or NO2. The mesophyll !\n! resistance is estimated using the !\n! following empirical form: !\n! !\n! Rmes = 1.0 / ( H / 3000.0 + 100.0 * f0) !\n! !\n! Where H is the dimensionless Henry’s constant for solubility in the mesophyll!\n! solution. The mass accommodation coefficient is used in the resistance of !\n! deposition to wet surfaces and provides an upper limit on the transfer of !\n! mass from the gas to aqueous phases. !\n! !\n! Deposition species can be added to the STAGE model here by matching the !\n! species name here with the DRYDEP SURR column in the GC, NR, or TR namelist. !\n! Where in VD_{SPC_NAME} in the GR, NR, or TR namelist, SPC_NAME corresponds to!\n! the species name column here. ! \n! !\n! Wesely, M.L., Parameterization of surface resistances to gaseous dry !\n! deposition in regional-scale numerical models, Atmos. Environ. 23(6) !\n! 1293-1304, https://doi.org/10.1016/0004-6981(89)90153-4, 1989 !\n!------------------------------------------------------------------------------!\n\n&STAGE_DATA\n STAGE_CHEM_DATA=\n ! Species name | rel_rx | f0 | Molar Vol | Mass accommodation coeff \n ! | | | cm**3 mol-1 | \n 'SO2 ', 32.8, 0.0, 35.0, 0.11,\n 'SULF ', 8000.0, 0.0, 49.0, 0.12,\n 'NO2 ', 2.0, 0.1, 21.0, 1.5e-3,\n 'NO ', 2.0, 0.0, 14.0, 1.0e-3,\n 'O3 ', 12.0, 1.0, 21.0, 0.10,\n 'HNO3 ', 8000.0, 0.0, 35.0, 0.087,\n 'H2O2 ', 34000.0, 1.0, 28.0, 0.10,\n 'ALD ', 10.0, 0.0, 56.0, 0.03,\n 'HCHO ', 10.0, 0.0, 35.0, 0.02,\n 'OP ', 10.0, 0.3, 49.0, 6.8e-3,\n 'PAA ', 20.0, 0.1, 70.0, 0.019,\n 'ORA ', 20.0, 0.0, 63.0, 0.032,\n 'NH3 ', 20.0, 0.0, 28.0, 0.091,\n 'PAN ', 16.0, 0.1, 91.0, 0.019,\n 'HONO ', 20.0, 0.1, 28.0, 0.500,\n 'CO ', 5.0, 0.0, 14.0, 1.5e-4,\n 'METHANOL ', 2.0, 0.0, 42.0, 0.027,\n 'N2O5 ', 5000.0, 0.0, 49.0, 0.018,\n 'NO3 ', 5000.0, 0.0, 28.0, 4.0e-3,\n 'GEN_ALD ', 10.0, 0.0, 56.0, 0.012,\n 'CL2 ', 10.0, 0.0, 49.0, 0.030,\n 'HOCL ', 10.0, 0.0, 38.5, 0.116,\n 'HCL ', 8000.0, 0.0, 31.5, 0.116,\n 'FMCL ', 10.0, 0.0, 45.5, 0.420,\n 'HGIIGAS ', 8000.0, 0.0, 95.0, 0.420,\n 'HG ', 0.1, 0.0, 14.8, 0.420,\n 'TECDD_2378 ', 2.0, 0.0, 217.0, 0.420,\n 'PECDD_12378 ', 2.0, 0.0, 234.5, 0.420,\n 'HXCDD_123478 ', 2.0, 0.0, 252.0, 0.420,\n 'HXCDD_123678 ', 2.0, 0.0, 252.0, 0.420,\n 'HXCDD_123478 ', 2.0, 0.0, 252.0, 0.420,\n 'HPCDD_1234678', 2.0, 0.0, 269.5, 0.420,\n 'OTCDD ', 2.0, 0.0, 287.0, 0.420,\n 'TECDF_2378 ', 2.0, 0.0, 210.0, 0.420,\n 'PECDF_12378 ', 2.0, 0.0, 227.5, 0.420,\n 'PECDF_23478 ', 2.0, 0.0, 227.5, 0.420,\n 'HXCDF_123478 ', 2.0, 0.0, 245.0, 0.420,\n 'HXCDF_123678 ', 2.0, 0.0, 245.0, 0.420,\n 'HXCDF_234678 ', 2.0, 0.0, 245.0, 0.420,\n 'HXCDF_123789 ', 2.0, 0.0, 245.0, 0.420,\n 'HPCDF_1234678', 2.0, 0.0, 262.5, 0.420,\n 'HPCDF_1234789', 2.0, 0.0, 262.5, 0.420,\n 'OTCDF ', 2.0, 0.0, 280.0, 0.420,\n 'NAPHTHALENE ', 4.0, 0.0, 119.0, 0.960,\n '1NITRONAPHTHA', 4.0, 0.0, 133.0, 0.960,\n '2NITRONAPHTHA', 4.0, 0.0, 133.0, 0.960,\n '14NAPHTHOQUIN', 4.0, 0.0, 119.0, 0.960,\n 'HEXMETH_DIIS ', 10.0, 0.0, 196.0, 0.960,\n 'HYDRAZINE ', 20.0, 0.0, 42.0, 0.420,\n 'MAL_ANHYDRIDE', 10.0, 0.0, 70.0, 0.420,\n 'TOLUENE_DIIS ', 10.0, 0.0, 154.0, 0.420,\n 'TRIETHYLAMINE', 20.0, 0.0, 154.0, 0.420,\n 'NTR ', 16.0, 0.0, 160.0, 0.420,\n 'NTRM ', 16.0, 0.0, 156.1, 0.420,\n 'MPAN ', 16.0, 0.1, 133.0, 0.019,\n 'PPN ', 16.0, 0.1, 118.2, 0.019,\n 'ISPD ', 8.0, 1.0, 88.8, 0.420,\n 'NTRDN ', 16.0, 0.1, 169.8, 0.420,\n 'NTRALK ', 16.0, 0.1, 133.0, 0.420,\n 'NTROH ', 16.0, 0.1, 140.4, 0.420,\n 'NTRPX ', 16.0, 0.0, 147.8, 0.420,\n 'PROPNN ', 16.0, 0.0, 133.0, 0.420,\n 'CLNO2 ', 8.0, 0.0, 45.5, 0.420,\n 'ISOPNN ', 275.9, 0.0, 206.8, 0.795,\n 'MTNO3 ', 96.2, 0.0, 251.2, 0.762,\n 'IEPOX ', 8.0, 0.0, 110.8, 0.420,\n 'HACET ', 8.0, 0.0, 72.6, 0.420,\n 'SVALK1 ', 4572.8, 0.0, 280.5, 0.908,\n 'SVALK2 ', 12.9, 0.0, 275.6, 0.523,\n 'SVBNZ1 ', 20671.2, 0.0, 134.1, 0.906,\n 'SVBNZ2 ', 52.5, 0.0, 127.5, 0.438,\n 'SVISO1 ', 50.6, 0.0, 126.3, 0.434,\n 'SVISO2 ', 10009.0, 0.0, 123.8, 0.901,\n 'SVPAH1 ', 772.1, 0.0, 235.7, 0.886,\n 'SVPAH2 ', 4.8, 0.0, 231.5, 0.420,\n 'SVSQT ', 10.3, 0.0, 346.5, 0.652,\n 'SVTOL1 ', 1928.3, 0.0, 153.7, 0.877,\n 'SVTOL2 ', 111.6, 0.0, 194.1, 0.679,\n 'SVTRP1 ', 160.1, 0.0, 194.9, 0.735,\n 'SVTRP2 ', 13.0, 0.0, 218.8, 0.429,\n 'SVXYL1 ', 3586.7, 0.0, 154.6, 0.891,\n 'SVXYL2 ', 72.2, 0.0, 194.6, 0.594,\n 'IO ', 8.0, 0.0, 44.4, 0.420,\n 'OIO ', 8.0, 0.0, 51.8, 0.420,\n 'I2O2 ', 8.0, 0.0, 88.8, 0.420,\n 'I2O3 ', 8.0, 0.0, 96.2, 0.420,\n 'I2O4 ', 8.0, 0.0, 103.6, 0.420,\n 'HI ', 8.0, 0.0, 40.7, 0.420,\n 'HOI ', 8.0, 0.0, 48.1, 0.420,\n 'INO ', 8.0, 0.0, 60.9, 0.420,\n 'INO2 ', 20.0, 0.0, 69.2, 0.420,\n 'INO3 ', 8.0, 0.0, 77.5, 0.420,\n 'BRO ', 1.0, 0.0, 34.4, 0.420,\n 'HOBR ', 1.0, 0.0, 38.1, 0.420,\n 'HBR ', 2.0, 0.0, 30.7, 0.420,\n 'BRNO3 ', 1.0, 0.0, 67.5, 0.420,\n 'BRNO2 ', 1.0, 0.0, 59.2, 0.420,\n 'BRCL ', 1.0, 0.0, 51.6, 0.420,\n 'DMS ', 2.0, 0.0, 77.4, 0.420,\n 'MSA ', 2.0, 0.0, 77.4, 0.420,\n 'METHANE ', 2.0, 0.0, 29.6, 5.0e-5,\n 'ACRYACID ', 2.0, 0.0, 63.2, 0.420,\n 'CARBSULFIDE ', 5.0, 0.0, 51.5, 0.420,\n 'ACETONITRILE ', 5.0, 0.0, 52.3, 0.420,\n 'METH_NIT_PHEN', 16.0, 0.0, 155.0, 0.420,\n 'PCVOC ', 10.0, 0.0, 56.0, 0.420,\n 'INTR ', 16.0, 0.1, 140.4, 0.420,\n 'ISPX ', 10.0, 0.3, 49.0, 0.420,\n 'ROOH ', 10.0, 0.3, 49.0, 0.420,\n 'LVPCSOG ', 90000.0, 0.0, 63.0, 0.910,\n 'VIVPO1 ', 4.2, 0.0, 63.0, 0.909,\n 'VLVOO1 ', 71624.8, 0.0, 63.0, 0.910,\n 'VLVOO2 ', 9042.0, 0.0, 63.0, 0.909,\n 'VLVPO1 ', 13818.0, 0.0, 63.0, 0.420,\n 'VSVOO1 ', 1133.9, 0.0, 63.0, 0.896,\n 'VSVOO2 ', 18.1, 0.0, 63.0, 0.444,\n 'VSVOO3 ', 2.3, 0.0, 63.0, 0.420,\n 'VSVPO1 ', 1830.5, 0.0, 63.0, 0.896,\n 'VSVPO2 ', 241.0, 0.0, 63.0, 0.783,\n 'VSVPO3 ', 31.8, 0.0, 63.0, 0.444,\n 'FACD ', 20.0, 0.0, 63.0, 0.023,\n 'KET ', 1.0, 0.0, 108.2, 0.420,\n 'ETH ', 1.0, 0.0, 58.1, 1.0e-4,\n 'PNA ', 1.0, 0.0, 45.2, 0.100,\n 'GLY ', 1.0, 0.0, 56.2, 0.023,\n 'GLYD ', 1.0, 0.0, 56.4, 0.023,\n 'MGLY ', 1.0, 0.0, 72.5, 0.023,\n 'ETHA ', 1.0, 0.0, 61.5, 1.0e-4,\n 'ETOH ', 1.0, 0.0, 59.1, 0.018,\n 'PAR ', 1.0, 0.0, 111.1, 0.420,\n 'ACET ', 1.0, 0.0, 75.2, 5.4e-3,\n 'PRPA ', 1.0, 0.0, 78.1, 0.420,\n 'ETHY ', 1.0, 0.0, 45.8, 0.420,\n 'OLE ', 1.0, 0.0, 73.1, 0.420,\n 'IOLE ', 1.0, 0.0, 89.5, 0.420,\n 'BENZ ', 1.0, 0.0, 89.4, 0.420,\n 'CRES ', 1.0, 0.0, 108.1, 0.420,\n 'TOL ', 1.0, 0.0, 105.7, 0.420,\n 'XYLMN ', 1.0, 0.0, 122.0, 0.420,\n 'NAPH ', 1.0, 0.0, 123.5, 0.420,\n 'CAT1 ', 1.0, 0.0, 102.6, 0.420,\n 'SESQ ', 1.0, 0.0, 251.5, 0.420,\n 'TERP ', 1.0, 0.0, 136.2, 0.420,\n 'ISOP ', 1.0, 0.0, 136.2, 0.420,\n 'OPEN ', 1.0, 0.0, 69.6, 0.420,\n 'XOPN ', 1.0, 0.0, 81.7, 0.420,\n 'SOAALK ', 1.0, 0.0, 142.8, 0.420,\n 'BUTADIENE13 ', 1.0, 0.0, 84.8, 0.420,\n 'ACROLEIN ', 1.0, 0.0, 70.5, 0.420,\n 'SVMT1 ',145839.6, 0.0, 355.2, 0.910,\n 'SVMT2 ', 12788.1, 0.0, 236.8, 0.909,\n 'SVMT3 ', 1512.4, 0.0, 214.6, 0.896,\n 'SVMT4 ', 189.1, 0.0, 229.4, 0.783,\n 'SVMT5 ', 22.2, 0.0, 207.2, 0.444,\n 'SVMT6 ', 2.8, 0.0, 222.0, 0.420,\n 'SVMT7 ', 1.0, 0.0, 199.8, 0.420,\n 'SVAVB1 ',100388.0, 0.0, 163.1, 0.910,\n 'SVAVB2 ', 1461.2, 0.0, 163.2, 0.896,\n 'SVAVB3 ', 175.2, 0.0, 163.0, 0.783,\n 'SVAVB4 ', 20.8, 0.0, 162.7, 0.444,\n 'CLNO3 ', 8.0, 0.0, 65.1, 0.420,\n 'FMBR ', 10.0, 0.0, 52.9, 0.420,\n 'I2 ', 4.0, 0.0, 77.0, 0.420,\n 'CH3I ', 2.0, 0.0, 66.5, 0.420,\n 'ICL ', 4.0, 0.0, 63.0, 0.420,\n 'IBR ', 4.0, 0.0, 70.0, 0.420,\n 'MI2 ', 2.0, 0.0, 98.0, 0.420,\n 'MIB ', 2.0, 0.0, 91.0, 0.420,\n 'MIC ', 2.0, 0.0, 84.0, 0.420,\n 'BR2 ', 2.0, 0.0, 63.0, 0.420,\n 'BR3 ', 2.0, 0.0, 108.5, 0.420,\n 'CH3BR ', 2.0, 0.0, 59.5, 0.420,\n 'MB2 ', 2.0, 0.0, 84.0, 0.420,\n 'MB2C ', 2.0, 0.0, 101.5, 0.420,\n 'MBC2 ', 2.0, 0.0, 94.5, 0.420,\n 'MBC ', 2.0, 0.0, 77.0, 0.420,\n 'CLO ', 8.0, 0.0, 31.5, 0.420,\n 'ACD ', 1.0, 0.0, 58.9, 0.88,\n 'ACE ', 1.0, 0.0, 45.8, 0.88,\n 'ACRO ', 1.0, 0.0, 70.5, 0.88,\n 'ACT ', 1.0, 0.0, 75.2, 0.88,\n 'API ', 1.0, 0.0, 154.9, 0.88,\n 'BALD ', 1.0, 0.0, 101.1, 0.88,\n 'BDE13 ', 1.0, 0.0, 84.8, 0.88,\n 'BEN ', 1.0, 0.0, 89.4, 0.88,\n 'CSL ', 1.0, 0.0, 137.1, 0.88,\n 'DCB1 ', 1.0, 0.0, 100.6, 0.88,\n 'DCB2 ', 1.0, 0.0, 115.4, 0.88,\n 'DCB3 ', 1.0, 0.0, 82.8, 0.88,\n 'EOH ', 1.0, 0.0, 59.1, 0.88,\n 'ETE ', 1.0, 0.0, 58.1, 0.88,\n 'ETEG ', 1.0, 0.0, 56.6, 0.88,\n 'FURAN ', 1.0, 0.0, 83.9, 0.88,\n 'FURANONE ', 1.0, 0.0, 66.5, 0.88,\n 'HC10 ', 1.0, 0.0, 194, 0.88,\n 'HC3 ', 1.0, 0.0, 78.1, 0.88,\n 'HC5 ', 1.0, 0.0, 111, 0.88,\n 'HKET ', 1.0, 0.0, 72.7, 0.88,\n 'ISHP ', 1.0, 0.3, 107.6, 0.88,\n 'ISO ', 1.0, 0.0, 101, 0.88,\n 'ISON ', 1.0, 0.1, 125.4, 0.88,\n 'LIM ', 1.0, 0.0, 163, 0.88,\n 'LIMAL ', 1.0, 0.0, 183.3, 0.88,\n 'MACR ', 1.0, 0.0, 86.8, 0.88,\n 'MAHP ', 1.0, 0.3, 84.1, 0.88,\n 'MCT ', 1.71, 0.0, 103, 0.88,\n 'MEK ', 1.0, 0.0, 91.7, 0.88,\n 'MOH ', 1.0, 0.0, 42.5, 0.88,\n 'MVK ', 1.0, 0.0, 86.8, 0.88,\n 'NALD ', 1.0, 0.1, 78, 0.88,\n 'OLI ', 1.0, 0.0, 104, 0.88,\n 'OLT ', 1.0, 0.0, 73.1, 0.88,\n 'ONIT ', 1.0, 0.1, 114, 0.88,\n 'OP1 ', 1.0, 0.3, 48.9, 0.88,\n 'OP2 ', 1.0, 0.3, 65.4, 0.88,\n 'OPB ', 1.0, 0.3, 162.4, 0.88,\n 'ORA1 ', 1.0, 0.0, 39.9, 0.88,\n 'ORA2 ', 1.0, 0.0, 56.2, 0.88,\n 'PHEN ', 3.4, 0.0, 86.3, 0.88,\n 'PINAL ', 1.0, 0.0, 175.5, 0.88,\n 'PROG ', 1.0, 0.0, 73.4, 0.88,\n 'VROCIOXY ', 1.0, 0.0, 384, 0.88,\n 'VROCP4ALK ', 1.0, 0.0, 326, 0.88,\n 'VROCP4OXY2 ', 1.0, 0.0, 172, 0.88,\n 'VROCP5ALK ', 1.0, 0.0, 260, 0.88,\n 'VROCP5ARO ', 1.0, 0.0, 221, 0.88,\n 'VROCP5OXY1 ', 1.0, 0.0, 207, 0.88,\n 'VROCP6ALK ', 1.0, 0.0, 243, 0.88,\n 'VROCP6ARO ', 1.0, 0.0, 205, 0.88,\n 'VROCP6OXY1 ', 1.0, 0.0, 174, 0.88,\n 'ROH ', 1.0, 0.0, 75.6, 0.88,\n 'SLOWROC ', 1.0, 0.1, 38.9, 0.88,\n 'TRPN ', 5.16, 0.1, 123.5, 0.88,\n 'HONIT ', 216903, 0.1, 152.2, 0.88,\n 'UALD ', 1.0, 0.0, 102, 0.88,\n 'XYE ', 1.0, 0.0, 122, 0.88,\n 'XYM ', 1.0, 0.0, 122, 0.88,\n 'EBZ ', 1.0, 0.0, 122, 0.88,\n 'XYL ', 1.0, 0.0, 122, 0.88,\n 'STY ', 1.0, 0.0, 115.4, 0.88,\n 'ELHOM ', 49000, 0.3, 237, 0.88,\n 'HOM ', 711, 0.3, 157.7, 0.88,\n 'OP3 ', 783, 0.3, 153.1, 0.88,\n 'VROCN1ALK ', 218, 0.0, 508, 0.88,\n 'VROCN1OXY1 ', 8450, 0.0, 353, 0.88,\n 'VROCN1OXY3 ', 2550, 0.0, 216, 0.88,\n 'VROCN1OXY6 ', 182, 0.0, 147.7, 0.88,\n 'VROCN2ALK ', 28400, 0.0, 524, 0.88,\n 'VROCN2OXY2 ', 696, 0.0, 285.4, 0.88,\n 'VROCN2OXY4 ', 1440, 0.0, 197, 0.88,\n 'VROCN2OXY8 ', 2060000, 0.0, 130, 0.88,\n 'VROCP0ALK ', 36.8, 0.0, 491, 0.88,\n 'VROCP0OXY2 ', 130, 0.0, 251, 0.88,\n 'VROCP0OXY4 ', 5520, 0.0, 183, 0.88,\n 'VROCP1ALK ', 6.77, 0.0, 474, 0.88,\n 'VROCP1OXY1 ', 583, 0.0, 304, 0.88,\n 'VROCP1OXY3 ', 2820, 0.0, 202, 0.88,\n 'VROCP2ALK ', 1.09, 0.0, 425, 0.88,\n 'VROCP2OXY2 ', 9.60, 0.0, 221, 0.88,\n 'VROCP3ALK ', 1.0, 0.0, 375, 0.88,\n 'VROCP3OXY2 ', 1.0, 0.0, 198.7, 0.88,\n 'IPN ', 86.6, 0.3, 104.8, 0.88,\n 'IPC ', 1.0, 0.3, 99.3, 0.88,\n 'IPX ', 1.0, 0.3, 99.3, 0.88,\n 'INALD ', 1.0, 0.1, 78, 0.88,\n\n!------------------------------------------------------------------------------!\n! Below is an example of how to add a deposited species to STAGE. The variable !\n! $name, here $name = ISOPOOH, must match a VD_$name in the GC namelist !\n! DRYDEP SURR column. In the GC, TR, or NR namelists the species must have a !\n! valid WET-SCAV SURR and DDEP and TRNS set to 'yes'. !\n!------------------------------------------------------------------------------!\n\n! 'ISOPOOH ', 16.0, 1.0, 140.4, 0.420,\n/\n\n!------------------------------------------------------------------------------!\n! STAGE Land Use !\n! This section contains the STAGE default tiled land use. These land uses ! \n! consist of plant functional types, water, snow and ice, barren, and urban !\n! (essentially high roughness barren) categories. Other land use !\n! types in the MODIS International Geosphere-Biosphere Programme (IGBP: !\n! https://fluxnet.org/data/badm-data-templates/igbp-classification/) or NLCD!\n! Anderson classification scheme (https://www.mrlc.gov/data/legends/national!\n! -land-cover-database-class-legend-and-description) are combinations of ! \n! land use types in this table. To maintain maximum consistency with the !\n! driving meteorological model, the vegetation and momentum variables from !\n! these land use types are normalized to the meteorological grid scale !\n! value, e.g. the land use weighted stomatal conductance will equal the grid!\n! scale value. The only exception to this is if the meteorological model is !\n! missing a vegetation parameter when the land use indicates vegetation !\n! coverage due to assumptions regarding the land and water coverage in the !\n! meteorological model. In these cases, vegetation parameters are estimated !\n! following WRF 3.8.1 parameterizations. Maximum LAI data is from Asner et !\n! al 2003 Table 2 (https://doi.org/10.1046/j.1466-822X.2003.00026.x) and !\n! vegetation coverage is taken from the IGBP classification. The composition! \n! of urban land cover was taken from the observations of Nowak and !\n! Greenfield 2020 (https://doi.org/10.1016/j.ufug.2020.126638). MODIS and !\n! USGS categories used the Nowak and Greenfield 2020 data from table 2 and !\n! the NLCD urban categories used the impervious data from the NLCD legend !\n! and split the vegetation categories following Nowak and Greenfield 2020. !\n! For PFTs for which observations of leaf litter and stomatal NH3 !\n! compensation points are unavailable, values are estimated by correlating !\n! AMON site survey NH3 compensation points with %N observations from the !\n! TRY global plant trait database. The close relationships between leaf !\n! mass per area and leaf %N are widely reported Wright et al. 2004 !\n! (https://doi.org/10.1038/nature02403). It is assumed that the vegetation !\n! present in snow/ice and barren land uses are grass/herbaceous. ! \n!------------------------------------------------------------------------------!\n\n&STAGE_LU\n STAGE_LU_DATA= \n ! Land Use Name | Land use | RSMIN | Z0 | Max | Min | Max | Min | Ground | Veg | Soil | Leaf | Alpha | Pleim et al. 2022 Aero Depv | LU |\n ! | Tag | | | VEG | VEG | LAI | LAI | NH3 Gam | NH3 Gam | Hg | Width | | BAI | Ahair | Fhair | Aleaf | Index|\n ! | unitless | s/m | m | % | % |m2/m2|m2/m2| mol/mol | mol/mol | umol/g| m |unitless|m2/m2| m | ratio | m | |\n 'Water', 'WATER', 9999.0, 1.0e-3, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 1.0e-6, 8.0e-3, 1.0e-3, 1,\n 'Ice', 'SNOWICE', 100.0, 1.2e-2, 10.0, 0.1, 1.7, 0.1, 438.0, 797.0, 0.0, 1.05e-2, 1.2, 1.0, 5.0e-7, 2.0e-3, 5.0e-4, 2,\n 'Barren', 'BARREN', 100.0, 5.0e-2, 10.0, 0.5, 1.7, 0.1, 438.0, 797.0, 125.0, 1.05e-2, 1.2, 1.0, 5.0e-7, 2.0e-3, 5.0e-4, 3,\n 'Urban', 'URBAN', 9999.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 1.0e-6, 8.0e-3, 1.0e-3, 4,\n 'Grassland', 'GRASS', 100.0, 7.0e-2, 90.0, 10.0, 1.7, 1.7, 438.0, 797.0, 20.0, 1.05e-2, 1.2, 1.0, 5.0e-7, 2.0e-3, 5.0e-4, 5,\n 'Cropland', 'AG', 70.0, 1.0e-1, 90.0, 10.0, 3.6, 1.5, 438.0, 797.0, 81.0, 1.05e-2, 1.2, 1.0, 1.0e-6, 8.0e-3, 4.0e-3, 6,\n 'Shrub', 'SHRUB', 200.0, 1.5e-1, 90.0, 10.0, 2.1, 1.0, 52.0, 81.0, 125.0, 2.04e-3, 1.3, 1.0, 1.0e-6, 8.0e-3, 3.0e-3, 7,\n 'EvrgrnNeedleLeaf', 'EVEFORN', 175.0, 1.0, 93.0, 93.0, 5.5, 3.5, 13.0, 18.0, 40.0, 9.00e-4, 1.0, 1.0, 5.0e-7, 8.0e-3, 2.0e-3, 8,\n 'EvrgrnBroadLeaf', 'EVEFORB', 120.0, 9.0e-1, 92.0, 92.0, 5.7, 3.6, 46.0, 71.0, 130.0, 1.10e-2, 1.0, 1.0, 1.0e-6, 8.0e-3, 1.0e-2, 9,\n 'DecNeedleLeaf', 'DECFORN', 175.0, 1.0, 90.0, 60.0, 4.6, 1.5, 67.0, 107.0, 81.0, 7.20e-4, 0.8, 1.0, 5.0e-7, 8.0e-3, 2.0e-3, 10,\n 'DecBroadLeaf', 'DECFORB', 200.0, 1.0, 91.0, 91.0, 5.1, 1.5, 198.0, 340.0, 81.0, 3.88e-2, 1.0, 1.0, 1.0e-6, 8.0e-3, 1.0e-2, 11,\n/\n\n!------------------------------------------------------------------------------!\n! STAGE Land Use Mapping !\n! The following namelists map the meteorological land use to the 11 category! \n! STAGE land use. Common land uses are included here, MODIS, NLCD, and USGS.! \n! There is a custom option allowing the user to create the map between the !\n! meteorological model and STAGE. In the mapping table, the 'Factor' field !\n! describes the fraction of a meteorological land-use type (Met_LU_Name) !\n! that is described by the STAGE land use type (STAGE_LU_Name). For example,!\n! MODIS_05 is half deciduous broadleaf (DecBroadLeaf) and half evergreen !\n! needle leaf (EvrgrnNeedleLeaf). The sum of 'Factor' for a given !\n! Met_LU_Name must sum to 1. !\n!------------------------------------------------------------------------------!\n\n&STAGE_MODIS_20\n MET_TO_STAGE_LU =\n ! Met_LU_Name | Met_Index | STAGE_LU_name | STAGE_Index | Factor | Description\n 'MODIS_01', 1, 'EvrgrnNeedleLeaf', 8, 1.0, 'Evergreen Needleleaf Forest',\n 'MODIS_02', 2, 'EvrgrnBroadLeaf', 9, 1.0, 'Evergreen Broadleaf Forest',\n 'MODIS_03', 3, 'DecNeedleLeaf', 10, 1.0, 'Deciduous Needleleaf Forest',\n 'MODIS_04', 4, 'DecBroadLeaf', 11, 1.0, 'Deciduous Broadleaf Forest',\n 'MODIS_05', 5, 'DecBroadLeaf', 11, 0.5, 'Mixed Forest',\n 'MODIS_05', 5, 'EvrgrnNeedleLeaf', 8, 0.5, 'Mixed Forest',\n 'MODIS_06', 6, 'Shrub', 7, 1.0, 'Closed Shrublands',\n 'MODIS_07', 7, 'Shrub', 7, 1.0, 'Open Shrublands',\n 'MODIS_08', 8, 'DecBroadLeaf', 11, 0.45, 'Woody Savannas',\n 'MODIS_08', 8, 'Grassland', 5, 0.55, 'Woody Savannas',\n 'MODIS_09', 9, 'DecBroadLeaf', 11, 0.2, 'Savannas',\n 'MODIS_09', 9, 'Grassland', 5, 0.8, 'Savannas',\n 'MODIS_10', 10, 'Grassland', 5, 1.0, 'Grassland',\n 'MODIS_11', 11, 'Grassland', 5, 0.3, 'Permanent Wetland',\n 'MODIS_11', 11, 'DecBroadLeaf', 11, 0.7, 'Permanent Wetland',\n 'MODIS_12', 12, 'Cropland', 6, 1.0, 'Croplands',\n 'MODIS_13', 13, 'DecBroadLeaf', 11, 0.31, 'Urban',\n 'MODIS_13', 13, 'Grassland', 5, 0.35, 'Urban',\n 'MODIS_13', 13, 'Urban', 4, 0.34, 'Urban',\n 'MODIS_14', 14, 'Cropland', 6, 0.5, 'Cropland/natural mosaic',\n 'MODIS_14', 14, 'Grassland', 5, 0.25, 'Cropland/natural mosaic',\n 'MODIS_14', 14, 'DecBroadLeaf', 11, 0.25, 'Cropland/natural mosaic',\n 'MODIS_15', 15, 'Ice', 2, 1.0, 'Snow/ice',\n 'MODIS_16', 16, 'Barren', 3, 1.0, 'Barren',\n 'MODIS_17', 17, 'Water', 1, 1.0, 'Water',\n 'MODIS_18', 18, 'Shrub', 7, 0.45, 'Wooded Tundra',\n 'MODIS_18', 18, 'Grassland', 5, 0.55, 'Wooded Tundra',\n 'MODIS_19', 19, 'Shrub', 7, 0.2, 'Mixed Tundra',\n 'MODIS_19', 19, 'Grassland', 5, 0.8, 'Mixed Tundra',\n 'MODIS_20', 20, 'Barren', 3, 1.0, 'Barren Tundra',\n/\n\n! MODIS 21 high resolution lakes example\n&STAGE_CUSTOM\n MET_TO_STAGE_LU =\n ! Met_LU_Name | Met_Index | STAGE_LU_name | STAGE_Index | Factor | Description\n 'MODIS_01', 1, 'EvrgrnNeedleLeaf', 8, 1.0, 'Evergreen Needleleaf Forest',\n 'MODIS_02', 2, 'EvrgrnBroadLeaf', 9, 1.0, 'Evergreen Broadleaf Forest',\n 'MODIS_03', 3, 'DecNeedleLeaf', 10, 1.0, 'Deciduous Needleleaf Forest',\n 'MODIS_04', 4, 'DecBroadLeaf', 11, 1.0, 'Deciduous Broadleaf Forest',\n 'MODIS_05', 5, 'DecBroadLeaf', 11, 0.5, 'Mixed Forest',\n 'MODIS_05', 5, 'EvrgrnNeedleLeaf', 8, 0.5, 'Mixed Forest',\n 'MODIS_06', 6, 'Shrub', 7, 1.0, 'Closed Shrublands',\n 'MODIS_07', 7, 'Shrub', 7, 1.0, 'Open Shrublands',\n 'MODIS_08', 8, 'DecBroadLeaf', 11, 0.45, 'Woody Savannas',\n 'MODIS_08', 8, 'Grassland', 5, 0.55, 'Woody Savannas',\n 'MODIS_09', 9, 'DecBroadLeaf', 11, 0.2, 'Savannas',\n 'MODIS_09', 9, 'Grassland', 5, 0.8, 'Savannas',\n 'MODIS_10', 10, 'Grassland', 5, 1.0, 'Grassland',\n 'MODIS_11', 11, 'Grassland', 5, 0.3, 'Permanent Wetland',\n 'MODIS_11', 11, 'DecBroadLeaf', 11, 0.7, 'Permanent Wetland',\n 'MODIS_12', 12, 'Cropland', 6, 1.0, 'Croplands',\n 'MODIS_13', 13, 'DecBroadLeaf', 11, 0.31, 'Urban',\n 'MODIS_13', 13, 'Grassland', 5, 0.35, 'Urban',\n 'MODIS_13', 13, 'Urban', 4, 0.34, 'Urban',\n 'MODIS_14', 14, 'Cropland', 6, 0.5, 'Cropland/natural mosaic',\n 'MODIS_14', 14, 'Grassland', 5, 0.25, 'Cropland/natural mosaic',\n 'MODIS_14', 14, 'DecBroadLeaf', 11, 0.25, 'Cropland/natural mosaic',\n 'MODIS_15', 15, 'Ice', 2, 1.0, 'Snow/ice',\n 'MODIS_16', 16, 'Barren', 3, 1.0, 'Barren',\n 'MODIS_17', 17, 'Water', 1, 1.0, 'Water',\n 'MODIS_18', 18, 'Shrub', 7, 0.45, 'Wooded Tundra',\n 'MODIS_18', 18, 'Grassland', 5, 0.55, 'Wooded Tundra',\n 'MODIS_19', 19, 'Shrub', 7, 0.2, 'Mixed Tundra',\n 'MODIS_19', 19, 'Grassland', 5, 0.8, 'Mixed Tundra',\n 'MODIS_20', 20, 'Barren', 3, 1.0, 'Barren Tundra',\n 'MODIS_21', 21, 'Water', 1, 1.0, 'Lakes',\n/\n\n&STAGE_NLCD_40\n MET_TO_STAGE_LU =\n ! Met_LU_Name | Met_Index | STAGE_LU_name | STAGE_Index | Factor | Description\n 'MODIS_01', 1, 'EvrgrnNeedleLeaf', 8, 1.0, 'Evergreen Needleleaf Forest',\n 'MODIS_02', 2, 'EvrgrnBroadLeaf', 9, 1.0, 'Evergreen Broadleaf Forest',\n 'MODIS_03', 3, 'DecNeedleLeaf', 10, 1.0, 'Deciduous Needleleaf Forest',\n 'MODIS_04', 4, 'DecBroadLeaf', 11, 1.0, 'Deciduous Broadleaf Forest',\n 'MODIS_05', 5, 'DecBroadLeaf', 11, 0.5, 'Mixed Forest',\n 'MODIS_05', 5, 'EvrgrnNeedleLeaf', 8, 0.5, 'Mixed Forest',\n 'MODIS_06', 6, 'Shrub', 7, 1.0, 'Closed Shrublands',\n 'MODIS_07', 7, 'Shrub', 7, 1.0, 'Open Shrublands',\n 'MODIS_08', 8, 'DecBroadLeaf', 11, 0.45, 'Woody Savannas',\n 'MODIS_08', 8, 'Grassland', 5, 0.55, 'Woody Savannas',\n 'MODIS_09', 9, 'DecBroadLeaf', 11, 0.2, 'Savannas',\n 'MODIS_09', 9, 'Grassland', 5, 0.8, 'Savannas',\n 'MODIS_10', 10, 'Grassland', 5, 1.0, 'Grassland',\n 'MODIS_11', 11, 'Grassland', 5, 0.3, 'Permanent Wetland',\n 'MODIS_11', 11, 'DecBroadLeaf', 11, 0.7, 'Permanent Wetland',\n 'MODIS_12', 12, 'Cropland', 6, 1.0, 'Croplands',\n 'MODIS_13', 13, 'DecBroadLeaf', 11, 0.31, 'Urban',\n 'MODIS_13', 13, 'Grassland', 5, 0.35, 'Urban',\n 'MODIS_13', 13, 'Urban', 4, 0.34, 'Urban',\n 'MODIS_14', 14, 'Cropland', 6, 0.5, 'Cropland/natural mosaic',\n 'MODIS_14', 14, 'Grassland', 5, 0.25, 'Cropland/natural mosaic',\n 'MODIS_14', 14, 'DecBroadLeaf', 11, 0.25, 'Cropland/natural mosaic',\n 'MODIS_15', 15, 'Ice', 2, 1.0, 'Snow/ice',\n 'MODIS_16', 16, 'Barren', 3, 1.0, 'Barren',\n 'MODIS_17', 17, 'Water', 1, 1.0, 'Water',\n 'MODIS_253', 18, 'Water', 1, 1.0, 'Unclassified Fill',\n 'MODIS_254', 19, 'Water', 1, 1.0, 'Unclassified Fill',\n 'MODIS_255', 20, 'Water', 1, 1.0, 'Unclassified Fill',\n 'NLCD_11', 21, 'Water', 1, 1.0, 'Water',\n 'NLCD_12', 22, 'Ice', 2, 1.0, 'Snow/ice',\n 'NLCD_21', 23, 'DecBroadLeaf', 11, 0.45, 'Developed, Open space',\n 'NLCD_21', 23, 'Grassland', 5, 0.45, 'Developed, Open space',\n 'NLCD_21', 23, 'Urban', 4, 0.1, 'Developed, Open space',\n 'NLCD_22', 24, 'DecBroadLeaf', 11, 0.32, 'Developed, Low Intensity',\n 'NLCD_22', 24, 'Grassland', 5, 0.33, 'Developed, Low Intensity',\n 'NLCD_22', 24, 'Urban', 4, 0.35, 'Developed, Low Intensity',\n 'NLCD_23', 25, 'DecBroadLeaf', 11, 0.17, 'Developed, Medium Intensity',\n 'NLCD_23', 25, 'Grassland', 5, 0.18, 'Developed, Medium Intensity',\n 'NLCD_23', 25, 'Urban', 4, 0.65, 'Developed, Medium Intensity',\n 'NLCD_24', 26, 'DecBroadLeaf', 11, 0.05, 'Developed, High Intensity',\n 'NLCD_24', 26, 'Grassland', 5, 0.05, 'Developed, High Intensity',\n 'NLCD_24', 26, 'Urban', 4, 0.9, 'Developed, High Intensity',\n 'NLCD_31', 27, 'Barren', 3, 1.0, 'Barren',\n 'NLCD_41', 28, 'DecBroadLeaf', 11, 1.0, 'Deciduous Forest',\n 'NLCD_42', 29, 'EvrgrnNeedleLeaf', 8, 1.0, 'Evergreen Forest',\n 'NLCD_43', 30, 'DecBroadLeaf', 11, 0.5, 'Mixed Forest',\n 'NLCD_43', 30, 'EvrgrnNeedleLeaf', 8, 0.5, 'Mixed Forest',\n 'NLCD_51', 31, 'Shrub', 7, 0.6, 'Dwarf Scrub',\n 'NLCD_51', 31, 'Grassland', 5, 0.4, 'Dwarf Scrub',\n 'NLCD_52', 32, 'Shrub', 7, 1.0, 'Shrub/scrub',\n 'NLCD_71', 33, 'Grassland', 5, 1.0, 'Grassland',\n 'NLCD_72', 34, 'Grassland', 5, 1.0, 'Grassland',\n 'NLCD_73', 35, 'Barren', 3, 1.0, 'Lichens',\n 'NLCD_74', 36, 'Barren', 3, 1.0, 'Moss',\n 'NLCD_81', 37, 'Cropland', 6, 1.0, 'Pasture/Hay',\n 'NLCD_82', 38, 'Cropland', 6, 1.0, 'Cultivated Crops',\n 'NLCD_90', 39, 'DecBroadLeaf', 11, 1.0, 'Woody Wetland',\n 'NLCD_95', 40, 'Grassland', 5, 1.0, 'Emergent Herbaceous Wetland',\n/\n\n&STAGE_NLCD_50 \n MET_TO_STAGE_LU =\n ! Met_LU_Name | Met_Index | STAGE_LU_name | STAGE_Index | Factor | Description\n 'NLCD_11', 1, 'Water', 1, 1.00, 'Water',\n 'NLCD_12', 2, 'Ice', 2, 1.00, 'Snow/ice',\n 'NLCD_21', 3, 'DecBroadLeaf', 11, 0.45, 'Developed, Open space',\n 'NLCD_21', 3, 'Grassland', 5, 0.45, 'Developed, Open space',\n 'NLCD_21', 3, 'Urban', 4, 0.10, 'Developed, Open space',\n 'NLCD_22', 4, 'DecBroadLeaf', 11, 0.32, 'Developed, Low Intensity',\n 'NLCD_22', 4, 'Grassland', 5, 0.33, 'Developed, Low Intensity',\n 'NLCD_22', 4, 'Urban', 4, 0.35, 'Developed, Low Intensity',\n 'NLCD_23', 5, 'DecBroadLeaf', 11, 0.17, 'Developed, Medium Intensity',\n 'NLCD_23', 5, 'Grassland', 5, 0.18, 'Developed, Medium Intensity',\n 'NLCD_23', 5, 'Urban', 4, 0.65, 'Developed, Medium Intensity',\n 'NLCD_24', 6, 'DecBroadLeaf', 11, 0.05, 'Developed, High Intensity',\n 'NLCD_24', 6, 'Grassland', 5, 0.05, 'Developed, High Intensity'\n 'NLCD_24', 6, 'Urban', 4, 0.90, 'Developed, High Intensity',\n 'NLCD_31', 7, 'Barren', 3, 1.00, 'Barren',\n 'NLCD_32', 8, 'Barren', 3, 1.00, 'Unconsolidated Shore',\n 'NLCD_41', 9, 'DecBroadLeaf', 11, 1.00, 'Deciduous Forest',\n 'NLCD_42', 10, 'EvrgrnNeedleLeaf', 8, 1.00, 'Evergreen Forest',\n 'NLCD_43', 11, 'DecBroadLeaf', 11, 0.50, 'Mixed Forest',\n 'NLCD_43', 11, 'EvrgrnNeedleLeaf', 8, 0.50, 'Mixed Forest',\n 'NLCD_51', 12, 'Shrub', 7, 0.60, 'Dwarf Scrub',\n 'NLCD_51', 12, 'Grassland', 5, 0.40, 'Dwarf Scrub',\n 'NLCD_52', 13, 'Shrub', 7, 1.00, 'Shrub/scrub',\n 'NLCD_71', 14, 'Grassland', 5, 1.00, 'Grassland',\n 'NLCD_72', 15, 'Grassland', 5, 1.00, 'Grassland',\n 'NLCD_73', 16, 'Barren', 3, 1.00, 'Lichens',\n 'NLCD_74', 17, 'Barren', 3, 1.00, 'Moss',\n 'NLCD_75', 18, 'Shrub', 7, 0.60, 'Tundra',\n 'NLCD_75', 18, 'Grassland', 5, 0.40, 'Tundra',\n 'NLCD_81', 19, 'Cropland', 6, 1.00, 'Pasture/Hay',\n 'NLCD_82', 20, 'Cropland', 6, 1.00, 'Cultivated Crops',\n 'NLCD_90', 21, 'DecBroadLeaf', 11, 1.00, 'Woody Wetland',\n 'NLCD_91', 22, 'DecBroadLeaf', 11, 0.50, 'Palustrine Forested Wetland',\n 'NLCD_91', 22, 'EvrgrnNeedleLeaf', 8, 0.50, 'Palustrine Forested Wetland',\n 'NLCD_92', 23, 'Shrub', 7, 1.00, 'Palustrine Shrub/Scrub Wetland',\n 'NLCD_93', 24, 'DecBroadLeaf', 11, 0.50, 'Estuarin Forested Wetland',\n 'NLCD_93', 24, 'EvrgrnNeedleLeaf', 8, 0.50, 'Estuarin Forested Wetland',\n 'NLCD_94', 25, 'Shrub', 7, 1.00, 'Estuarin Shrub/Scrub Wetland',\n 'NLCD_95', 26, 'Grassland', 5, 1.00, 'Emergent Herbaceous Wetland',\n 'NLCD_96', 27, 'Grassland', 5, 1.00, 'Palustrine Emergent Wetland',\n 'NLCD_97', 28, 'Grassland', 5, 1.00, 'Estuarine Emergent Wetland',\n 'NLCD_98', 29, 'Grassland', 5, 1.00, 'Palustrine Aquatic Bed',\n 'NLCD_99', 30, 'Grassland', 5, 1.00, 'Estuarine Aquatic Bed',\n 'MODIS_00', 31, 'Water', 1, 1.00, 'Water',\n 'MODIS_01', 32, 'EvrgrnNeedleLeaf', 8, 1.00, 'Evergreen Needleleaf Forest',\n 'MODIS_02', 33, 'EvrgrnBroadLeaf', 9, 1.00, 'Evergreen Broadleaf Forest',\n 'MODIS_03', 34, 'DecNeedleLeaf', 10, 1.00, 'Deciduous Needleleaf Forest',\n 'MODIS_04', 35, 'DecBroadLeaf', 11, 1.00, 'Deciduous Broadleaf Forest',\n 'MODIS_05', 36, 'DecBroadLeaf', 11, 0.50, 'Mixed Forest',\n 'MODIS_05', 36, 'EvrgrnNeedleLeaf', 8, 0.50, 'Mixed Forest',\n 'MODIS_06', 37, 'Shrub', 7, 1.00, 'Closed Shrublands',\n 'MODIS_07', 38, 'Shrub', 7, 1.00, 'Open Shrublands',\n 'MODIS_08', 39, 'DecBroadLeaf', 11, 0.45, 'Woody Savannas',\n 'MODIS_08', 39, 'Grassland', 5, 0.55, 'Woody Savannas',\n 'MODIS_09', 40, 'DecBroadLeaf', 11, 0.20, 'Savannas',\n 'MODIS_09', 40, 'Grassland', 5, 0.80, 'Savannas',\n 'MODIS_10', 41, 'Grassland', 5, 1.00, 'Grassland',\n 'MODIS_11', 42, 'Grassland', 5, 0.30, 'Permanent Wetland',\n 'MODIS_11', 42, 'DecBroadLeaf', 11, 0.70, 'Permanent Wetland',\n 'MODIS_12', 43, 'Cropland', 6, 1.00, 'Croplands',\n 'MODIS_13', 44, 'DecBroadLeaf', 11, 0.31, 'Urban',\n 'MODIS_13', 44, 'Grassland', 5, 0.35, 'Urban',\n 'MODIS_13', 44, 'Urban', 4, 0.34, 'Urban',\n 'MODIS_14', 45, 'Cropland', 6, 0.50, 'Cropland/natural mosaic',\n 'MODIS_14', 45, 'Grassland', 5, 0.25, 'Cropland/natural mosaic',\n 'MODIS_14', 45, 'DecBroadLeaf', 11, 0.25, 'Cropland/natural mosaic',\n 'MODIS_15', 46, 'Ice', 2, 1.00, 'Snow/ice',\n 'MODIS_16', 47, 'Barren', 3, 1.00, 'Barren',\n 'MODIS_17', 48, 'Water', 1, 1.00, 'Water',\n 'MODIS_253', 49, 'Water', 1, 1.00, 'Unclasified Fill',\n 'MODIS_254', 50, 'Water', 1, 1.00, 'Unclasified Fill',\n/\n \n&STAGE_USGS_24 \n MET_TO_STAGE_LU =\n ! Met_LU_Name | Met_Index | STAGE_LU_name | STAGE_Index | Factor | Description\n 'USGS_Urban', 1, 'DecBroadLeaf', 11, 0.31, 'Urban',\n 'USGS_Urban', 1, 'Grassland', 5, 0.35, 'Urban',\n 'USGS_Urban', 1, 'Urban', 4, 0.34, 'Urban',\n 'USGS_DrCrp', 2, 'Cropland', 6, 1.00, 'Dry Croplands',\n 'USGS_IrCrp', 3, 'Cropland', 6, 1.00, 'Irrigated Croplands',\n 'USGS_MixCrp', 4, 'Cropland', 6, 1.00, 'Dry and Irrigated',\n 'USGS_CrGrM', 5, 'Cropland', 6, 0.50, 'Grassland Crop Mosaic',\n 'USGS_CrGrM', 5, 'Grassland', 5, 0.50, 'Grassland Crop Mosaic'\n 'USGS_CrWdM', 6, 'Cropland', 6, 0.50, 'Forest Crop Mosaic',\n 'USGS_CrWdM', 6, 'DecBroadLeaf', 11, 0.50, 'Forest Crop Mosaic',\n 'USGS_GrsLd', 7, 'Grassland', 5, 1.00, 'Grasslands',\n 'USGS_ShrLd', 8, 'Shrub', 7, 1.00, 'Shrublands',\n 'USGS_ShrGr', 9, 'Shrub', 7, 0.50, 'Shrublands',\n 'USGS_ShrGr', 9, 'Grassland', 5, 0.50, 'Shrublands',\n 'USGS_Savan', 10, 'Grassland', 5, 0.50, 'Savannas',\n 'USGS_Savan', 10, 'DecBroadLeaf', 11, 0.50, 'Savannas',\n 'USGS_DBFst', 11, 'DecBroadLeaf', 11, 1.00, 'Deciduous Broadleaf Forest',\n 'USGS_DNFst', 12, 'DecNeedleLeaf', 10, 1.00, 'Deciduous Needleleaf Forest',\n 'USGS_EBFst', 13, 'EvrgrnBroadLeaf', 9, 1.00, 'Evergreen Broadleaf',\n 'USGS_ENFst', 14, 'EvrgrnNeedleLeaf', 8, 1.00, 'Evergreen Needleleaf',\n 'USGS_MxFst', 15, 'DecBroadLeaf', 11, 0.50, 'Mixed Forest',\n 'USGS_MxFst', 15, 'EvrgrnNeedleLeaf', 8, 0.50, 'Mixed Forest',\n 'USGS_Water', 16, 'Water', 1, 1.00, 'Water',\n 'USGS_HWtld', 17, 'Grassland', 5, 1.00, 'Herbaceous Wetland',\n 'USGS_WWtld', 18, 'DecBroadLeaf', 11, 0.50, 'Wooded Wetland',\n 'USGS_WWtld', 18, 'EvrgrnNeedleLeaf', 8, 0.50, 'Wooded Wetland',\n 'USGS_BarSp', 19, 'Barren', 3, 1.00, 'Barren',\n 'USGS_HrTun', 20, 'Grassland', 5, 1.00, 'Herbaceous Tundra',\n 'USGS_WdTun', 21, 'Shrub', 7, 1.00, 'Wooded Tundra',\n 'USGS_MxTun', 22, 'Grassland', 5, 0.50, 'Mixed Tundra',\n 'USGS_MxTun', 22, 'Shrub', 7, 0.50, 'Mixed Tundra',\n 'USGS_BGTun', 23, 'Barren', 3, 1.00, 'Barren Tundra',\n 'USGS_SnwIc', 24, 'Ice', 2, 1.00, 'Snow/Ice',\n/\n" }, { "path": "CCTM/src/depv/stage/DEPV_DEFN.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n MODULE DEPV_DEFN\n\nC-----------------------------------------------------------------------\nC Function: deposition velocity interface to the chemistry-transport model\n\nC Revision History:\nC 24 Nov 2006 J.Young: initial implementation using Bill Hutzell's and\nC Tanya Otte's work\nC 29 Jan 2010 D. Wong: Eliminate potential race condition at the MYPE = 0\nC to open the diagnostic file. Eliminate the BARRIER\nC and the CLOSE3 and OPEN3.\nC 21 Jun 2010 J.Young: convert for Namelist redesign\nC 27 Jan 2011 J.Young: remove references to AERO3 and AERO4\nC 20 Jan 2011 J. Bash: Passed the component fluxes and tstep between vdiff \nC & m3dry\nC 16 Feb 2011 S.Roselle: replaced I/O API include files with UTILIO_DEFN\nC 5 May 2011 J.Young: remove writing diagnostic output for initial call\nC 22 Sep 2011 D. Wong: - incorporated twoway model implemenation\nC - used a robust way to compute WTIME\nC 11 Oct 2011 J.Young: PUBLIC/PRIVATE sections, re-do WTIME computation\nC and WTIME computation for MOSAIC\nC 13 Dec 2011 J.Young: removed separate SOA variables - no longer used\nC 18 Sep 2012 D. Wong: invoke INIT_LSM regardless of MOSAIC or ABFLUX option\nC 07 Jul 14 B.Hutzell: replaced mechanism include file(s) with fortran module\nC 7 Nov 2014 J. Bash: Modified for the restructuring of vidff. Moved constants and data to \nC ASX_DATA_MOD.\nC Aug 2015 D. Wong: Replaced MYPE with IO_PE_INCLUSIVE to facilitate\nC parallel I/O implementation\nC Added a block of code to let non I/O processors to\nC open CTM_DEPV_DIAG in parallel I/O implementation\nC Feb 2019 D. Wong: removed all MY_N clauses\nC-------------------------------------------------------------------------------\n USE RUNTIME_VARS\n USE CGRID_SPCS, ONLY : N_SPC_DEPV\n\n IMPLICIT NONE\n\nC no. of deposition velocity model species\n INTEGER, SAVE :: N_GAS_DEPV\n\nC ddep spc conversion factors\n REAL, ALLOCATABLE, SAVE :: DD_CONV( : )\n\n PUBLIC DD_CONV, N_GAS_DEPV, DEPV_INIT, GET_DEPV\n\n PRIVATE\n\nC CGRID for m3dry bi-directional flux calculation\n REAL, ALLOCATABLE, SAVE :: CGRIDL1( :,:,: )\n REAL, SAVE :: DTSEC\n\nC flag for diagnostic DEPV file\n INTEGER, SAVE :: N_UNIQUE_GDEPV ! gas depv\n CHARACTER( 16 ), ALLOCATABLE, SAVE :: UNIQUE_GDEPV( : )\n INTEGER, ALLOCATABLE, SAVE :: GAS_DEPV_SUR( : )\n LOGICAL, ALLOCATABLE, SAVE :: GAS_DEPV_FOUND( : )\n\n INTEGER, SAVE :: N_UNIQUE_ADEPV ! aero depv\n CHARACTER( 16 ), ALLOCATABLE, SAVE :: UNIQUE_ADEPV( : )\n INTEGER, ALLOCATABLE, SAVE :: AER_DEPV_SUR( : )\n\n INTEGER, SAVE :: NR_OFFSET ! Offset to NR start in CGRID\n\n INTEGER :: GXOFF, GYOFF ! global origin offset from file\nC for INTERPX\n INTEGER, SAVE :: STRTCOLMC2, ENDCOLMC2, STRTROWMC2, ENDROWMC2\n INTEGER, SAVE :: STRTCOLMC3, ENDCOLMC3, STRTROWMC3, ENDROWMC3\n\n REAL, ALLOCATABLE, SAVE :: UCROSS( :,:,:)\n REAL, ALLOCATABLE, SAVE :: VCROSS( :,:,:)\n REAL, ALLOCATABLE, SAVE :: DLUSE( :,: )\n \n CONTAINS\n\nC-----------------------------------------------------------------------\n FUNCTION DEPV_INIT( JDATE, JTIME, TSTEP, CGRID ) RESULT ( SUCCESS )\n\n USE HGRD_DEFN\n USE RXNS_DATA ! chemical mechanism data\n USE CGRID_SPCS ! CGRID mechanism species\n USE STAGE_DATA\n USE UTILIO_DEFN\n USE LSM_MOD, Only: Init_LSM\n USE MOSAIC_MOD, Only: Tile_Data\n USE BIDI_MOD, Only: Init_Bidi\n USE STAGE_MOD, Only: INIT_STAGE\n USE STAGE_OUTPUT\n\n IMPLICIT NONE\n\nC Includes:\n INCLUDE SUBST_CONST ! constants\n INCLUDE SUBST_FILES_ID ! file name parameters\n\nC Arguments:\n INTEGER JDATE, JTIME, TSTEP( 3 )\n REAL, POINTER :: CGRID( :,:,:,: )\n LOGICAL SUCCESS\n\nC Parameters:\n REAL, PARAMETER :: RGAS1 = 1.0 / RGASUNIV ! univ. gas constant reciprocal\n REAL, PARAMETER :: M2PHA = 1.0E+04 ! 1 hectare = 1.0e4 m**2\n REAL, PARAMETER :: CMLMR = 1.0E+06 ! ppmV/Molar Mixing Ratio\n REAL, PARAMETER :: CNVTD = M2PHA / CMLMR / MWAIR ! combined ddep conv factor\n \nC Local variables:\n CHARACTER( 16 ), ALLOCATABLE :: ALL_GAS_DEPV( : )\n LOGICAL, ALLOCATABLE :: AE_DEPV_FOUND( : )\n \n CHARACTER( 16 ) :: PNAME = 'DEPV_INIT'\n CHARACTER( 120 ) :: XMSG = ' '\n\n INTEGER NDX, NDX2, NDX3 ! Temp index\n INTEGER ALLOCSTAT\n INTEGER J, L, N, S, V, STRT, FINI\n\nC-----------------------------------------------------------------------\n\n SUCCESS = .TRUE.\n\n N_GAS_DEPV = N_GC_DEPV + N_NR_DEPV + N_TR_DEPV\n N_SPC_DEPV = N_GAS_DEPV + N_AE_DEPV\n\n\nC Initialize deposition velocities for nondeposited species to zero:\nC setting DEPV( N_SPC_DEPV+1,C,R ) = 0.0 accounts for dry dep. species names\nC as a subset of the vert. diffused species list\n ALLOCATE ( DD_CONV( N_SPC_DEPV ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating DD_CONV'\n CALL M3WARN( PNAME, JDATE, JTIME, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\nC set dry dep conversion factor (done here so that vdiff doesn`t need the include files)\n S = 0\n DO V = 1, N_GC_DEPV\n S = S + 1\n DD_CONV( S ) = CNVTD * GC_MOLWT( GC_DEPV_MAP( V ) )\n END DO\n\n DO V = 1, N_AE_DEPV\n S = S + 1\n IF ( AE_SPC( AE_DEPV_MAP( V ) )( 1:3 ) .EQ. 'NUM' ) THEN\n DD_CONV( S ) = M2PHA * 1.0E+03 / MWAIR ! --> #/Ha\n ELSE IF ( AE_SPC( AE_DEPV_MAP( V ) )( 1:3 ) .EQ. 'SRF' ) THEN\n DD_CONV( S ) = M2PHA * 1.0E+03 / MWAIR ! --> M**2/Ha\n ELSE\n DD_CONV( S ) = CNVTD * AE_MOLWT( AE_DEPV_MAP( V ) )\n END IF\n END DO\n\n DO V = 1, N_NR_DEPV\n S = S + 1\n DD_CONV( S ) = CNVTD * NR_MOLWT( NR_DEPV_MAP( V ) )\n END DO\n\n DO V = 1, N_TR_DEPV\n S = S + 1\n DD_CONV( S ) = CNVTD * TR_MOLWT( TR_DEPV_MAP( V ) )\n END DO\n\n CALL SUBHFILE ( MET_CRO_2D, GXOFF, GYOFF,\n & STRTCOLMC2, ENDCOLMC2, STRTROWMC2, ENDROWMC2 )\n CALL SUBHFILE ( MET_CRO_3D, GXOFF, GYOFF,\n & STRTCOLMC3, ENDCOLMC3, STRTROWMC3, ENDROWMC3 ) \n\n INIT_GAS_DV:\n & IF ( N_GAS_DEPV .GT. 0 ) THEN\n\n ALLOCATE ( ALL_GAS_DEPV( N_GAS_DEPV ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating ALL_GAS_DEPV'\n CALL M3WARN( PNAME, JDATE, JTIME, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\n DO V = 1, N_GC_DEPV\n ALL_GAS_DEPV( V ) = GC_DEPV( V )\n END DO\n STRT = N_GC_DEPV\n DO V = 1, N_NR_DEPV\n ALL_GAS_DEPV( V + STRT ) = NR_DEPV( V )\n END DO\n STRT = N_GC_DEPV + N_NR_DEPV\n DO V = 1, N_TR_DEPV\n ALL_GAS_DEPV( V + STRT ) = TR_DEPV( V )\n END DO\n\nC Identify and remove multiple occurrences of gas deposition velocities\n ALLOCATE( GAS_DEPV_FOUND( N_GAS_DEPV ),\n & GAS_DEPV_SUR ( N_GAS_DEPV ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating GAS_DEPV_FOUND or GAS_DEPV_SUR'\n CALL M3WARN( PNAME, JDATE, JTIME, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\n GAS_DEPV_FOUND = .FALSE.\n N_UNIQUE_GDEPV = 0\n\n LOOP_UNIQUE:\n & DO N = 1, N_GAS_DEPV\n IF ( GAS_DEPV_FOUND( N ) ) CYCLE LOOP_UNIQUE\n DO V = 1, N_GAS_DEPV\n IF ( ALL_GAS_DEPV( N ) .EQ. ALL_GAS_DEPV( V ) ) THEN\n IF ( GAS_DEPV_FOUND( V ) ) CYCLE LOOP_UNIQUE\n N_UNIQUE_GDEPV = N_UNIQUE_GDEPV + 1\n GAS_DEPV_FOUND( V ) = .TRUE.\n CYCLE LOOP_UNIQUE\n END IF\n END DO\n END DO LOOP_UNIQUE\n\n ALLOCATE( UNIQUE_GDEPV( N_UNIQUE_GDEPV ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating UNIQUE_GDEPV'\n CALL M3WARN( PNAME, JDATE, JTIME, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\n#ifdef Verbose\n write( logdev,* ) ' '\n write( logdev,* ) ' All Gas DEPVs Requested Gas DEPV'\n#endif\n\n V = 1\n DO N = 1, N_GAS_DEPV\n IF ( GAS_DEPV_FOUND( N ) ) THEN\n UNIQUE_GDEPV( V ) = ALL_GAS_DEPV( N )\n#ifdef Verbose\n write( logdev,1019 ) n, all_gas_depv( n ), v, unique_gdepv( v )\n1019 format( 2x, i5, 1x, a16, 2x, i5, 1x, a16 )\n#endif\n V = V + 1\n#ifdef Verbose\n else\n write( logdev,1019 ) n, all_gas_depv( n ), -1, ' '\n#endif\n END IF\n END DO\n! Read the CMAQ_Control_STAGE namelist and map deposition species to the\n! gas species namelists, and map surrogate species\n Call Map_Stage ( N_UNIQUE_GDEPV, UNIQUE_GDEPV, GAS_DEPV_SUR )\n\nC Identify and remove multiple occurrences of aerosol deposition velocities\n\n ALLOCATE( AE_DEPV_FOUND( N_AE_DEPV ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating AE_DEPV_FOUND'\n CALL M3WARN( PNAME, JDATE, JTIME, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n AE_DEPV_FOUND = .FALSE.\n N_UNIQUE_ADEPV = 0\n! use this for mosaic dry deposition\n AERO_UNIQUE:\n & DO N = 1, N_AE_DEPV\n IF ( AE_DEPV_FOUND( N ) ) CYCLE AERO_UNIQUE\n DO V = 1, N_AE_DEPV\n IF ( AE_DEPV( N ) .EQ. AE_DEPV( V ) ) THEN\n IF ( AE_DEPV_FOUND( V ) ) CYCLE AERO_UNIQUE\n N_UNIQUE_ADEPV = N_UNIQUE_ADEPV + 1\n AE_DEPV_FOUND( V ) = .TRUE.\n CYCLE AERO_UNIQUE\n END IF\n END DO\n END DO AERO_UNIQUE\n\n ALLOCATE( UNIQUE_ADEPV( N_UNIQUE_ADEPV ) )\n ALLOCATE( AER_DEPV_SUR( N_UNIQUE_ADEPV ) )\n\n#ifdef Verbose\n write( logdev,* ) ' '\n write( logdev,* ) ' Requested Aerosol DEPV and pointer'\n#endif\n\n V = 1\n DO N = 1, N_AE_DEPV\n IF ( AE_DEPV_FOUND( N ) ) THEN\n UNIQUE_ADEPV( V ) = AE_DEPV( N )\n AER_DEPV_SUR( V ) = N\n#ifdef Verbose\n write( logdev,1021 ) n, v, unique_adepv( v ), aer_depv_sur( v )\n1021 format( 2i5, 1x, a16, i5 )\n#endif\n V = V + 1\n END IF\n END DO\n\n#ifdef Verbose\n write( logdev,* ) ' '\n#endif\n\n ALLOCATE ( CGRIDL1 ( N_GAS_DEPV,NCOLS,NROWS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating CGRIDL1 array'\n CALL M3WARN( PNAME, JDATE, JTIME, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n CGRIDL1 = 0.0 \n\n END IF INIT_GAS_DV\n\n Tile_Data%Vd_name = 'Empty'\n Tile_Data%Vd_Out = .FALSE.\n Tile_Data%n_Vd = 0\n\n N = 0\n STRT = 1\n FINI = N_GC_DEPV\n DO V = STRT, FINI\n N = N + 1\n NDX = GAS_DEPV_SUR( N ) \n Tile_Data%Vd_Name ( NDX ) = GC_DEPV( N )\n Tile_Data%Vd_Fac ( NDX ) = GC_DEPV_FAC( N )\n Tile_Data%dep2vdiff ( V ) = NDX \n END DO\n\n N = 0\n STRT = N_GC_DEPV + N_AE_DEPV + 1\n FINI = N_GC_DEPV + N_AE_DEPV + N_NR_DEPV\n DO V = STRT, FINI\n N = N + 1\n NDX = GAS_DEPV_SUR( N+N_GC_DEPV )\n Tile_Data%Vd_Name ( NDX ) = NR_DEPV( N )\n Tile_Data%Vd_Fac ( NDX ) = NR_DEPV_FAC( N )\n Tile_Data%dep2vdiff ( V ) = NDX \n END DO\n\n N = 0\n STRT = N_GC_DEPV + N_AE_DEPV + N_NR_DEPV + 1\n FINI = N_GC_DEPV + N_AE_DEPV + N_NR_DEPV + N_TR_DEPV\n DO V = STRT, FINI\n N = N + 1\n NDX = GAS_DEPV_SUR( N + N_GC_DEPV + N_NR_DEPV )\n Tile_Data%Vd_Name ( NDX ) = TR_DEPV( N )\n Tile_Data%Vd_Fac ( NDX ) = TR_DEPV_FAC( N )\n Tile_Data%dep2vdiff ( V ) = NDX \n END DO \n \n IF ( N_AE_DEPV .GT. 0 ) THEN\n STRT = N_GC_DEPV + 1\n FINI = N_GC_DEPV + N_AE_DEPV\n N = 0\n DO V = STRT, FINI\n N = N + 1\n NDX = N_GC_DEPV + N_NR_DEPV + N_TR_DEPV + N\n Tile_Data%Vd_Name ( NDX ) = AE_DEPV( N )\n Tile_Data%Vd_Fac ( NDX ) = AE_DEPV_FAC( N )\n Tile_Data%dep2vdiff ( V ) = NDX \n END DO\n\n DEP_UNIQUE: DO N = 1, N_SPC_DEPV\n IF( Tile_Data%Vd_Out( N ) ) CYCLE DEP_UNIQUE\n DO V = 1, N_SPC_DEPV\n IF ( Tile_Data%Vd_Name( N ) .EQ. Tile_Data%Vd_NAME( V ) .AND.\n & Tile_Data%Vd_Name( V ) .NE. 'Empty') THEN\n IF ( Tile_Data%Vd_Out( V ) ) CYCLE DEP_UNIQUE\n Tile_Data%n_Vd = Tile_Data%n_Vd + 1\n Tile_Data%Vd_Out( V ) = .TRUE.\n CYCLE DEP_UNIQUE\n END IF\n End DO\n END DO DEP_UNIQUE\n END IF\n!*****************************\n\n Call INIT_STAGE( JDATE, JTIME )\n \n IF ( ( DEPV_DIAG .Or. MOSAIC ) .And. IO_PE_INCLUSIVE ) THEN\n CALL OPEN_DEPV( JDATE, JTIME, TSTEP( 1 ) )\n END IF \n\n END FUNCTION DEPV_INIT\nC-----------------------------------------------------------------------\n\n\n SUBROUTINE GET_DEPV( JDATE, JTIME, TSTEP, CGRID )\nC-----------------------------------------------------------------------\n\n USE HGRD_DEFN\n USE CGRID_SPCS ! CGRID mechanism species\n USE UTILIO_DEFN\n USE Mosaic_Mod\n USE ASX_DATA_MOD, Only: GRID_DATA, MOSAIC_DATA\n Use STAGE_OUTPUT\n Use STAGE_MOD, Only: GAS_X, AERO_X\n\n IMPLICIT NONE\n\nC Arguments:\n INTEGER, INTENT( IN ) :: JDATE, JTIME ! simulation date&time, tstep\n INTEGER, INTENT( IN ) :: TSTEP( 3 ) ! time step vector (HHMMSS)\n ! TSTEP(1) = local output step\n ! TSTEP(2) = sciproc sync. step (chem)\n ! TSTEP(3) = twoway model time step w.r.t. wrf time\n ! step and wrf/cmaq call frequency\n\n REAL, POINTER :: CGRID( :,:,:,: ) ! concentrations\n\n INCLUDE SUBST_CONST ! constants\n INCLUDE SUBST_FILES_ID ! file name parameters\n\nC Parameters:\n REAL, PARAMETER :: RGAS1 = 1.0 / RGASUNIV ! univ. gas constant reciprocal\n REAL, PARAMETER :: H_VAP = 156.0E+03 ! enthalpy of vaporization (J/mol)\n REAL, PARAMETER :: TREF = 298.0 ! Reference temperature for Cstar\n REAL, PARAMETER :: TREF1 = 1.0 / TREF ! Reciprocal ref temperature\n\nC Local variables:\n INTEGER STRT, FINI\n LOGICAL :: WRITE_TIME_MOS ! write to file flag\n INTEGER, SAVE :: WSTEP = 0 ! local write counter [HHMMSS]\n INTEGER, SAVE :: WSTEP_MOS = 0 ! local write counter [HHMMSS]\n INTEGER :: CDATE, CTIME ! step beginning date and time\n INTEGER :: WDATE, WTIME ! write date and time\n\n CHARACTER( 16 ) :: PNAME = 'GET_DEPV '\n CHARACTER( 120 ) :: XMSG = ' '\n\n INTEGER C, R, N, V, NDX, J\n\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n\n#ifdef Verbose\n integer cw, rw\n#endif\n\n INTERFACE\n SUBROUTINE CGRID_DEPV( GAS_DEPV_FOUND, GAS_DEPV_SUR, CGRID, CGRIDL1 )\n LOGICAL, INTENT( IN ) :: GAS_DEPV_FOUND( : )\n INTEGER, INTENT( IN ) :: GAS_DEPV_SUR( : )\n REAL, POINTER :: CGRID( :,:,:,: )\n REAL, INTENT( OUT ) :: CGRIDL1( :,:,: )\n END SUBROUTINE CGRID_DEPV\n END INTERFACE\n\nC----------------------------------------------------------------------- \n\n! Made default for Hg bidi JOB 9/12/11\n CALL CGRID_DEPV( GAS_DEPV_FOUND, GAS_DEPV_SUR, CGRID, CGRIDL1 )\n\n DTSEC = FLOAT( TIME2SEC( TSTEP( 2 ) ) )\n DO R = 1, NROWS\n DO C = 1, NCOLS\n CALL GAS_X ( JDATE, JTIME, DTSEC, C, R, CGRIDL1( :,C, R ) )\n IF ( N_AE_DEPV .GT. 0 ) CALL AERO_X( CGRID, C, R )\n END DO\n END DO\n\n IF ( DEPV_DIAG .Or. MOSAIC ) THEN\n\n WSTEP = WSTEP + TIME2SEC( TSTEP( 2 ) ) \n IF ( Write_time( WSTEP, TIME2SEC( TSTEP( 1 ) ) ) ) THEN\n WDATE = JDATE; WTIME = JTIME\n CALL NEXTIME( WDATE, WTIME, TSTEP( 2 ) )\n IF ( .NOT. CURRSTEP( WDATE, WTIME, STDATE, STTIME, TSTEP( 1 ),\n & CDATE, CTIME ) ) THEN\n XMSG = 'Cannot get step date and time'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT3 )\n END IF\n WDATE = CDATE; WTIME = CTIME\n WSTEP = 0\n\n#ifdef parallel_io\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n IF ( DEPV_DIAG ) THEN\n IF ( .NOT. IO_PE_INCLUSIVE ) THEN\n IF ( .NOT. OPEN3( CTM_DEPV_DIAG, FSREAD3, PNAME ) ) THEN\n XMSG = 'Could not open ' // TRIM( CTM_DEPV_DIAG )\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END IF\n END IF\n\n IF ( MOSAIC ) THEN\n IF ( .NOT. IO_PE_INCLUSIVE ) THEN\n IF ( .NOT. OPEN3( CTM_DEPV_MOS, FSREAD3, PNAME ) ) THEN\n XMSG = 'Could not open ' // TRIM( CTM_DEPV_MOS )\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END IF\n END IF\n END IF\n#endif\n Call Write_depv( WDATE, WTIME )\n\n END IF ! Write time\n END IF ! DEPV_DIAG .Or. MOSAIC \n\n END SUBROUTINE GET_DEPV\n\n END MODULE DEPV_DEFN\n" }, { "path": "CCTM/src/depv/stage/HGSIM.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/CCTM/src/depv/m3dry_mp/HGSIM.F,v 1.3 2012/01/24 21:15:18 sjr Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n MODULE HGSIM\n\nC-----------------------------------------------------------------------\nC Function: This module contains the code to predict bidirectional\nC exchanges between the atmosphere and surface media using a two\nC layer resistance-capacitance model. Fluxes are parameterized by\nC applying Fick's law across the atmospheric surface media\nC concentration gradient.\nC\nC Revision History:\nC 12 Aug 2008 J. Bash initial implementation\nC 2 Apr 2009 J. Bash for solar irradation on the order of 1e-3 w/m2\nC the mercury surface water photo redox scheme\nC became unstable. A conditional statement was\nC added to correct this instability.\nC 4 June 2009 J. Bash Corrected the time stamp on WRASX_MEDIA to be\nC consistant with other CMAQ modules reported by\nC (T.Myers)\nC 22 Oct 2009 J. Bash Corrected a units conversion error in ASWX and ATX\nC reported by (P. Pongprueksa) and added a more\nC robust soil diffusion model adapted from the\nC Community Land Model 3.5.\nC 13 Sept 2011 J. Bash Updated the Hg bidi model to share data with the \nC NH3 bidirectional exchange model in a more general\nC framework using BIDI_MOD.F and LSM_MOD.F modules. \nC Hg bidirectional exchange is now a run time option. \nC 17 Jan 2012 J. Bash Removed the dependence on the LAPACK libraries\nC and found analytical solutions to all the Hg\nC exchange equations.\nC 14 Feb 2013 J. Bash Added support for the NLCD 40 (2006) land use data\nC 10 Feb 2019 D. Wong Implemented centralized I/O approach, removed all MY_N clauses\nC\nC References:\nC\nC Bash, J.O. 2010, Description and initial simulaiton of a dynamic bi-directional \nC surface exchange model for mercury in CMAQ, J. Geophys.\nC Res., 115, D06305\nC Mason, R.P., J.R. Reinfelder, F.M.M. Morel, 1996, Uptake, toxicity, and\nC trophic transfer of mercury in a coastal diatom, Environ. Sci. Technol.\nC 30, 1835-1845\nC Scholtz, M.T., B.J. Van Heyst, W.H. Schroeder, 2003, Modelling of mercury\nC emissions from background soils, Sci. Tot. Environ. 304, 185-207\nC Trapp S. and Matthies, 1995, Generic one-compartment model for uptake of\nC organic chemicals by foliar vegetations. Environ. Sci. Technol. 29,\nC 2333-2338\nC Trapp, S., 2004, Plant uptake and transport for netural and ionic chemicals,\nC Environ. Sci. Pollut. Res. 11, 33-39\nC Whalin, L., E.-H. Kim, R. Mason, 2007, Factors influencing the oxidation,\nC reduciton, methylation and demethylation of mercury species in costal\nC water, Marine Chem. 107, 278-294\nC-----------------------------------------------------------------------\n IMPLICIT NONE\n\n! Shared variables\n\n! Private variables used in this routine and\n REAL, ALLOCATABLE, SAVE, PRIVATE :: fevgrn(:,:) ! fraction of evergreen land use\n REAL, ALLOCATABLE, SAVE, PRIVATE :: f_wat(:,:) ! fraction of water land use\n\n REAL, PARAMETER, PRIVATE :: zsurf = 1.0 ! ocean slab depth (m)\n REAL, PARAMETER, PRIVATE :: ZG = 1.0e-2\n REAL, PARAMETER, PRIVATE :: MWHG = 200.6\n REAL, PARAMETER, PRIVATE :: MWHGII = 271.5\n CHARACTER( 96 ), PRIVATE :: XMSG = ' '\n\n CHARACTER( 80 ), SAVE, Private :: LAND_SCHEME\n REAL, SAVE, PRIVATE :: ZC, ZM ! g/m2 of model surface media\n REAL, SAVE, PRIVATE :: kam ! Leaf Water partitioning coef mol water g-1 leaf dry mass\n REAL, SAVE, PRIVATE :: kac ! mol air g-1 leaf dry mass\n REAL, SAVE, PRIVATE :: MV_air\n\n! variable needed for analytical solutions of exchange equations\n REAL, PRIVATE :: KO(2,2)\n REAL, PRIVATE :: EIVAL(2)\n REAL, PRIVATE :: VR(2,2)\n REAL, PRIVATE :: ax ! coefficients used of the \n REAL, PRIVATE :: bx ! quadratic and cubic equations\n REAL, PRIVATE :: cx ! ATX and ASWX\n REAL, PRIVATE :: Qx ! coefficients used to solve for \n REAL, PRIVATE :: Rx ! the roots of the cubic equation\n REAL, PRIVATE :: ev1 ! Temporary variables used to \n REAL, PRIVATE :: ev2 ! calculate the eigen vectors \n REAL, PRIVATE :: ev3 ! in ATX and ASWX\n REAL, PRIVATE :: evmax !\n REAL, PRIVATE :: DetKO ! Variables used to solve for the \n REAL, PRIVATE :: DetK1 ! non-homogeneous part of the solution\n REAL, PRIVATE :: DetK2 ! a system of equations \n REAL, PRIVATE :: DetEV ! Variables used to solve for the \n REAL, PRIVATE :: DetE1 ! integration constants in the \n REAL, PRIVATE :: DetE2 ! system of equations using Cramer's Rule\n \n INTEGER, PRIVATE :: NC\n INTEGER, PRIVATE :: i\n INTEGER, PRIVATE :: j\n \n REAL, PRIVATE :: B( 2 ) ! Surface media concentration vector\n REAL, PRIVATE :: NHS( 2 ) ! non-homogenious solution\n\nC input/output parameters\n\n INTEGER, PRIVATE :: N_AQ_CONC ! aqueous media concentrations\n INTEGER, PRIVATE :: N_GAS_CONC ! gaseous media concentrations\n INTEGER, PRIVATE :: N_SOL_CONC ! solid media concentrations\n\n CHARACTER( 16 ), ALLOCATABLE, PRIVATE :: MEDIA_NAMES( : )\n\n CONTAINS\n\n SUBROUTINE INIT_HGSIM( JDATE, JTIME )\n\n USE HGRD_DEFN ! horizontal grid specifications\n USE UTILIO_DEFN\n USE ASX_DATA_MOD\n USE LSM_MOD\n USE Bidi_Mod\n Use MOSAIC_MOD, Only: Tile_Data \n\n IMPLICIT NONE\n\n INCLUDE SUBST_FILES_ID ! file name parameters\n\n INTEGER, INTENT( IN ) :: JDATE\n INTEGER, INTENT( IN ) :: JTIME\n\n CHARACTER( 16 ) :: PNAME = 'INIT_HGSIM'\n CHARACTER( 96 ) :: MSG = ' '\n\n INTEGER V, L, C, R\n\nC--------------------------------------------------------------------------\n\n IF ( .NOT. ALLOCATED ( fevgrn ) ) THEN\n ALLOCATE ( fevgrn( NCOLS,NROWS ) )\n fevgrn( :,: ) = 0.0\n END IF\n IF ( .NOT. ALLOCATED ( f_wat ) ) THEN\n ALLOCATE ( f_wat( NCOLS,NROWS ) )\n f_wat( :,: ) = 0.0\n END IF\n \n DO C = 1, NCOLS\n DO R = 1, NROWS\n DO L = 1, Tile_data%N_LUFRAC\n IF(Tile_data%CAT_LU(L) .EQ. 'EVEFORN' .Or. \n & Tile_data%CAT_LU(L) .EQ. 'EVEFORB' ) THEN\n fevgrn(c,r) = fevgrn(c,r) + Tile_data%lufrac(c,r,l)\n End IF\n IF(Tile_data%CAT_LU(L) .EQ. 'MIXFOR') THEN\n fevgrn(c,r) = fevgrn(c,r) + Tile_data%lufrac(c,r,l)\n End IF \n IF(Tile_data%CAT_LU(L) .EQ. 'WATER') THEN\n f_wat(c,r) = f_wat(c,r) + Tile_data%lufrac(c,r,l)\n END IF\n END DO\n END DO\n END DO\n\n RETURN\n\n!------------------------------------------------------------------------------\n! Error handling section\n!------------------------------------------------------------------------------\n1001 CONTINUE\n CALL M3EXIT( pname, jdate, jtime, xmsg, xstat1 )\nC-------------------------------------------------------------------------------\nC Format statements.\nC-------------------------------------------------------------------------------\n\n9001 FORMAT( 'Failure reading ', a, 1x, 'from ', a )\n\n RETURN\n\n END SUBROUTINE INIT_HGSIM\n!------------------------------------------------------------------------------\n! Gets compensation points for STAGE\n!------------------------------------------------------------------------------\n Subroutine Get_Hg_Comp( Hg_st, Hg_cut, Hg_grnd, Hg_wat, Hg_atm, H_wat, H_soil, r, c )\n \n USE BIDI_MOD\n USE ASX_DATA_MOD\n\n IMPLICIT NONE\n\n REAL, INTENT( IN ) :: H_wat, H_soil ! Effective H for Hg(0)\n REAL, INTENT( IN ) :: Hg_atm ! atm conc and land use fractions\n INTEGER, INTENT( IN ) :: c,r ! column and row\n REAL, INTENT( OUT ) :: Hg_st, Hg_cut, Hg_grnd, Hg_wat ! compensation points \n!********* reduction and partioning terms *******************************\n REAL :: Kow ! Hg(0) Octanol water partioning coefficient\n REAL :: Kpwc ! Hg(0) air-vegetation surface partitioning coefficient\n REAL :: Kpwm ! Hg(0) air-mesophyll partitioning coefficient\n!********* vegetation poperties *****************************************\n REAL :: lm ! leaf mesophyll lipid fraction\n REAL :: lc ! cuticular wax mesophyll lipid fraction\n REAL :: Wp ! water content fraction of the leaf\n REAL :: bc ! Emprical coefficeint to describe differences in plant lipids\n!************************************************************************\n Real :: del \n If ( Met_Data%WR( c,r ) .LE. 0.0 ) Then\n del = 0.0\n Else \n del = Met_Data%WR( c,r ) / ( 0.2e-3 * Met_Data%Veg( c,r ) * Met_Data%LAI( c,r ) ) ! refer to SiB model\n del = min(del,1.0)\n End If\n!***************** canopy parameters *********************************\n Kow = 4.15 ! For Hg, Mason 1996\n lm = 2.0e-2 ! From Trapp and Matthis 1995\n lc = 2.0e-2 ! Assumed cuticular wax lipid content\n Wp = 0.80 ! leaf water fraction, Trapp and Mathis 1996\n bc = 0.95 ! For barley, Trapp and Mathis 1996\n Kpwc = (Wp+lc*1.0/0.822*Kow**bc) ! unitless\n Kpwm = (Wp+lm*1.0/0.822*Kow**bc) ! unitless\n! Partitioning coeficients following the methodology of the PEM model\n kac = Kpwc*(1.0-del) + ! evasion from dry cuticles\n & Kpwc*del*H_soil ! unitless cuticle surface\n kam = Kpwm*H_soil ! unitless apoplast solution\nC Flux unit conversions\n ZM = 71.0 * Met_Data%LAI(c,r) / ( 10.0 * Met_Data%Z0(c,r) )! measurements at UCONN's experimental\n ZC = 71.0 * Met_Data%LAI(c,r) / ( 10.0 * Met_Data%Z0(c,r) )! g/m**3 based off of leaf litter fall\n MV_air = MWAIR / MET_DATA%DENS1( C,R ) / 1.0e3 ! m3/mol\n!**************** soil parameters ************************************\n\n IF( INIT_COMP ) THEN\n! Equilibrium Hg(0) mesophyll concentration in a 5 month box model simulation\n If( f_wat( c,r ) .eq. 1.0 ) Then\n CMEDIA( c,r,5 ) = 0.0 ! umol/g bulk leaf concentration\n CMEDIA( c,r,6 ) = 0.0 ! umol/g bulk leaf concentration\n CMEDIA( c,r,3 ) = 0.0 ! umol/g bulk soil concentration\n CMEDIA( c,r,2 ) = 3.57e-6 ! from Whalin et al 2007\n CMEDIA( c,r,1 ) = Hg_atm * 3.0 ! assume 3x eq con.\n Else if( f_wat( c,r ) .gt. 0.0 ) Then\n CMEDIA( c,r,5 ) = fevgrn(c,r)*6.0e-6 + (1.0-fevgrn(c,r))*CMEDIA(c,r,5) ! umol/g bulk leaf concentration\n CMEDIA( c,r,6 ) = fevgrn(c,r)*6.0e-7 + (1.0-fevgrn(c,r))*CMEDIA(c,r,6) ! umol/g bulk leaf concentration\n CMEDIA( c,r,3 ) = Hg_atm ! umol/g bulk soil concentration\n CMEDIA( c,r,2 ) = 3.57e-6 ! from Whalin et al 2007\n CMEDIA( c,r,1 ) = Hg_atm * 3.0 ! assume 3x eq con.\n Else \n CMEDIA( c,r,5 ) = fevgrn(c,r)*6.0e-6 + (1.0-fevgrn(c,r))*CMEDIA(c,r,5) ! umol g-1 bulk leaf concentration\n CMEDIA( c,r,6 ) = fevgrn(c,r)*6.0e-7 + (1.0-fevgrn(c,r))*CMEDIA(c,r,6) ! umol g-1 bulk leaf concentration\n CMEDIA( c,r,3 ) = Hg_atm ! ppm bulk soil concentration\n CMEDIA( c,r,2 ) = 0.0\n CMEDIA( c,r,1 ) = 0.0\n End If\n End If\n\n Hg_st = CMEDIA( c,r,5 ) / kam * ZM * MV_air ! umol g-1 bulk leaf concentration * g m-3 leaf * m3 mol-1\n Hg_cut = CMEDIA( c,r,6 ) / kac * ZC * MV_air ! umol g-1 bulk leaf concentration * g m-3 leaf * m3 mol-1\n Hg_grnd = CMEDIA( c,r,3 ) / H_soil ! ppm bulk soil concentration\n Hg_wat = CMEDIA( c,r,1 ) / H_wat ! ppm\n\n Return\n\n End Subroutine Get_Hg_Comp\n\n!------------------------------------------------------------------------------\n! Updates Hg surface concentrations in STAGE\n!------------------------------------------------------------------------------\n SUBROUTINE Hg_Surf_Update (flx_stom, flx_cut, flx_grnd, flx_wat, flx_hgII,\n & H_wat, H_soil, dt, c, r, Jdate, Jtime )\n\n USE BIDI_MOD\n USE ASX_DATA_MOD\n USE UTILIO_DEFN\n Use MOSAIC_MOD, Only: Tile_Data \n\n IMPLICIT NONE\n\n REAL, INTENT( IN ) :: flx_stom, flx_cut, flx_grnd, flx_wat, flx_hgII ! fluxes ppm*m/s\n REAL, INTENT( IN ) :: H_wat, H_soil ! Soil and surface water H\n REAL, INTENT( IN ) :: dt ! Intigration time step\n INTEGER, INTENT( IN ) :: c,r ! column and row\n INTEGER, INTENT( IN ) :: Jdate, Jtime ! Time info\n\n REAL :: flux_st, flux_cut, flux_grnd, flux_wat, flux_hgII ! fluxes ppm*m/s\n REAL :: Hg_st, Hg_cut, Hg_grnd, Hg_wat ! compensation points \n REAL, SAVE :: HgII_grnd, HgII_wat ! Soil and water Hg(II) concentrations\n!********* reduction and partioning terms *******************************\n REAL :: kr ! soil divalent mercury reduction term\n REAL :: Prod ! Production umol/s\n REAL :: K_loss ! Loss Rate 1/s\n REAL :: K_Prod, K_Prod_HgII ! Relative Production Rate 1/s\n!********* Unit conversions *********************\n! REAL, Parameter :: M3MOLVOL = MOLVOL/1.0e3 ! molar volume of air at stp m3/mol \nC*************************** Ocean box parameters ***********************\n REAL, PARAMETER :: satten = 7.58-1\nC***** reduction and partioning terms from Whalin et al 2007 ************\n REAL, PARAMETER :: rref = 240.0 ! referance incoming radiation\n ! for redox measurements (w/m2)\n REAL, PARAMETER :: kphot = 6.5-4 ! drm photoreduction rate 1/s\n REAL, PARAMETER :: kox = 7.2-4 ! dgm photo-oxidation rate 1/s\n CHARACTER( 16 ), PARAMETER :: pname = 'Hg_Surf_Update'\n\n Hg_st = CMEDIA( c,r,5 ) ! umol/g bulk leaf concentration\n Hg_cut = CMEDIA( c,r,6 ) ! umol/g bulk leaf concentration\n Hg_grnd = CMEDIA( c,r,3 ) ! umol/g bulk soil concentration\n Hg_wat = CMEDIA( c,r,1 ) ! ppm\n HgII_wat = CMEDIA( c,r,2 ) ! ppm\n HgII_grnd = 0.0\n DO i = 1, Tile_Data%n_lufrac\n HgII_grnd = HgII_grnd+Tile_Data%Hg_grnd(i)*Tile_Data%lufrac(c,r,i)\n END DO\nC Set floor to smallest terrestrial value\n HgII_grnd = MAX( HgII_grnd, 1.8e1 ) \n\n! ppm m / s to umol/g/s\n If(ZM .gt. 0.0 )Then\n flux_st = flx_stom / MV_air / ZM\n flux_cut = flx_cut / MV_air / ZM \n Else\n flux_st = 0.0\n flux_cut = 0.0\n End If\n! ppm m/s to ppm/s\n flux_grnd = flx_grnd / ZG \n flux_wat = flx_wat / zsurf \n flux_hgII = flx_HgII / zsurf \n\n If( f_wat( c,r ) .gt. 0.0 ) Then ! Water\nC in the absence of photo-redox reactions divalent Hg accumulates\n IF ( Met_Data%RGRND(c,r) .LT. 1e-3 ) THEN\n HgII_wat = HgII_wat - flux_hgII / ( f_wat( c,r ) ) * dt\nC Find a simple one box solution for elemental Hg\n If( flux_wat .le. 0.0 ) Then ! Deposition\n Prod = -flux_wat / ( f_wat( c,r ) )\n Hg_wat = Hg_wat + Prod * dt\n Else\n K_loss = min(flux_wat / ( CMEDIA( c,r, 1 ) * f_wat( c,r ) ), 0.99) \n K_loss = -log(1.0 - K_loss )\n Hg_wat = Hg_wat * exp( -K_loss * dt )\n End If\n ELSE If( CMEDIA( c,r,2 ) .Gt. 0.0 ) Then ! photo-redox reactions\n K_Prod_HgII = -flux_hgII / ( f_wat( c,r ) * CMEDIA( c,r,2 ) )\n K_Prod_HgII = log(1.0+K_Prod_HgII)\n If( flux_wat .le. 0.0 ) Then ! Deposition\n Prod = -flux_wat/ ( f_wat( c,r ) )\n K_Prod = log(1.0+Prod/CMEDIA( c,r, 1 ))\n K_loss = 0.0\n Else\n Prod = 0.0\n K_Prod = 0.0\n K_loss = min( flux_wat / ( CMEDIA( c,r, 1 ) * f_wat( c,r ) ), 0.99 ) \n K_loss = -log(1.0-K_loss)\n End If \n\n KO = 0.0 \n\nC 240 w/m**2 is the 'typical light spectrum' from Whalin et al 2007 Marine Chem.\nC attenuation at 1 m = 1/K (1-exp(-K Z)) = 0.758 using a K of 0.58\n\n\n KO( 1,1 ) = -K_loss - kox * satten * Met_Data%RGRND(c,r)/( rref ) + K_prod\n KO( 1,2 ) = kphot * satten * Met_Data%RGRND(c,r)/( rref )\n KO( 2,1 ) = kox * satten * Met_Data%RGRND(c,r)/( rref )\n KO( 2,2 ) = -kphot * satten * Met_Data%RGRND(c,r)/( rref ) + K_Prod_HgII\n\n NHS = 0.0\n\n NHS(1) = 0.0!-Prod\n NHS(2) = 0.0!flux_hgII/( f_wat( c,r ) )\n\n B = 0.0\n\n B( 1 ) = Hg_wat \n B( 2 ) = HgII_wat\n\n\nC*****************************************************************************\n! Get eigen values and vectors where the cubic equation is:\n! ax*lambda**2+bx*lambda+cx = 0\n! and is solved following Numerical recipies for Fortran equations 5.6.2-5.6.5\nC*****************************************************************************\n\n ax = 1.0\n bx = -(KO(1,1)+KO(2,2))\n cx = KO(1,1)*KO(2,2)-KO(1,2)*KO(2,1)\n \n Qx = -0.5*(bx+SIGN(1.0,bx)*SQRT(bx**2-4.0*ax*cx))\n \n EIVAL(1) = Qx/ax\n EIVAL(2) = cx/Qx\n \n! Solve for the eigenvectors\n DO i = 1, NC\n ev1 = 1.0\n ev2 = -(KO(2,1)*ev1)/(KO(2,2)-EIVAL(i))\n evmax = max(abs(ev1),abs(ev2))\n! scale the eigenvector\n VR(1,i) = ev1/evmax\n VR(2,i) = ev2/evmax\n END DO \n! update the surface array\n Hg_wat = 0.0\n HgII_wat = 0.0\n\n DO i = 1, NC\n Hg_wat = Hg_wat + B(i) * VR(1,i) * EXP( EIVAL(i) * dt )\n HgII_wat = HgII_wat + B(i) * VR(2,i) * EXP( EIVAL(i) * dt )\n END DO\n\n Hg_wat = Hg_wat + NHS(1)\n HgII_wat = HgII_wat + NHS(2)\n\n END IF \n\n IF ( HgII_wat .LT. 0.0 .OR. Hg_wat .LT. 0.0 ) THEN\n \n XMSG = '*** Negative concentration ***' \n WRITE(LOGDEV,*) 'Hg_wat',Hg_wat,'HgII_wat',HgII_wat \n Write(logdev,*) 'K_loss', K_loss\n Write(logdev,*) 'EIVAL', EIVAL(1), EIVAL(2)\n Write(logdev,*) 'EIVEC', VR(1,1), VR(2,2)\n Write(logdev,*) 'NHS', NHS(1), NHS(2)\n \n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n \n END IF \n CMEDIA( c,r,1 ) = Hg_wat ! ppm\n CMEDIA( c,r,2 ) = HgII_wat ! ppm \n End If\n If( f_wat( c,r ) .lt. 1.0 ) Then ! land\n! Soil divalent mercury reduction rate following Scholz et al 2003\n IF(Met_Data%SOIT1(c,r) .GT. 273.15) THEN\n kr = 8.0e-11\n ELSE ! if the soil is frozen limit diffusion and reduction\n kr = 0.0\n END IF\n If( Met_Data%LAI(c,r) .Gt. 0.0 ) Then\n! Stomatal flux\n If( flux_st .le. 0.0 ) Then ! deposition \n Prod = -flux_st / ( (1.0 - f_wat( c,r ) ) )\n Hg_st = Hg_st + Prod * dt\n Else\n K_loss = min( flux_st / ( Hg_st * (1.0 - f_wat( c,r ) ) ), 0.99 ) \n K_loss = -log(1.0 - K_loss)\n Hg_st = Hg_st * exp( - K_loss * dt ) \n End If\n CMEDIA( c,r,5 ) = Hg_st\n! Cuticular flux\n If( flux_cut .le. 0.0 ) Then ! deposition \n Prod = -flux_cut / ( (1.0 - f_wat( c,r ) ) )\n Hg_cut = Hg_cut + Prod * dt\n Else\n K_loss = min(flux_cut / ( Hg_cut * (1.0 - f_wat( c,r ) ) ), 0.99 ) \n K_loss = -log(1.0 - K_loss )\n Hg_cut = Hg_cut * exp( - K_loss * dt ) \n End If\n CMEDIA( c,r,6 ) = Hg_cut\n End If\n! soil flux\n If( flux_grnd .le. 0.0 ) Then ! deposition \n Prod = kr * Grid_Data%RHOB( c,r ) * HgII_grnd * ZG /( 1.0e3 * 200.59 ) -\n & flux_grnd / max((1.0 - f_wat( c,r )),0.001 )\n Hg_grnd = Hg_grnd + Prod * dt\n Else \n Prod = kr * Grid_Data%RHOB( c,r ) * HgII_grnd * ZG /( 1.0e3 * 200.59 )\n K_loss = min( flux_grnd / ( Hg_grnd * max((1.0 - f_wat( c,r )),0.001 ) ), 0.99 ) \n K_loss = -log(1.0 - K_loss)\n If( K_loss .eq. 0.0 ) Then ! due to numerical rounding\n Hg_grnd = Hg_grnd + Prod * dt\n Else\n Hg_grnd = Prod / K_loss + ( Hg_grnd - Prod / K_loss ) * exp( -K_loss * dt )\n End If\n End If\n CMEDIA( c,r,3 ) = Hg_grnd\n! Model layer depths\n\n End If\n\n Return\n End Subroutine Hg_Surf_Update\n\nC------------------------------------------------------------------------------\n\n SUBROUTINE GET_WDEP( CSE, WDEP, C, R )\n\n Use ASX_DATA_MOD, Only: Grid_Data\n USE BIDI_MOD, Only: CMedia\n\n IMPLICIT NONE\n\n INCLUDE SUBST_CONST ! constants\n\n CHARACTER( 8 ), INTENT( IN ) :: CSE ! wet dep sepcies\n REAL, INTENT( IN ) :: WDEP ! wet deposition in kg/ha\n INTEGER, INTENT( IN ) :: C\n INTEGER, INTENT( IN ) :: R\n REAL, PARAMETER :: HAOM2 = 1.0e-4 ! ha/m^2 conversion\n REAL, PARAMETER :: MWHG = 200.59 ! molecular weight of Hg\n REAL, PARAMETER :: UGOKG = 1.0e9 ! ug/kg conversion\n REAL, PARAMETER :: GH2ONM3 = 1.0e6 ! g H2O in M^3 H2O\n REAL WDEP_LOAD ! loading due to wet deposition\n\n\n IF ( f_wat( c,r ) .Gt. 0 ) THEN ! water\n\n ! convert to umol/m2 pulse input\n WDEP_LOAD = WDEP*HAOM2*UGOKG/MWHG*f_wat( c,r )\n ! convert to added concentration in ppm assuming it remains at the surface\n WDEP_LOAD = WDEP_LOAD/ZSURF/GH2ONM3*MWWAT\n\n IF( CSE .EQ. 'HG ' ) THEN\n\n CMEDIA( C,R,1 ) = CMEDIA( C,R,1 ) + WDEP_LOAD\n\n END IF\n\n IF( CSE .EQ. 'HGIIGAS ' ) THEN\n\n CMEDIA( C,R,2 ) = CMEDIA( C,R,2 ) + WDEP_LOAD\n\n END IF\n\n END IF ! water\n\n RETURN\n\n END SUBROUTINE GET_WDEP\n END MODULE HGSIM\n" }, { "path": "CCTM/src/depv/stage/LSM_MOD.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/work/rep/arc/CCTM/src/depv/m3dry/LSM_MOD.F,v 1.5 2012/01/19 14:23:58 yoj Exp $\n\nC::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n Module LSM_Mod\n \nC------------------------------------------------------------------------------\nC Revision History: \nC June 16 11 Created by J. Bash\nC April 19 12 J. Bash Updated the LU_FAC data arrays to be a function\nC of the annual total N deposition following \nC Massad et al 2010 doi:10.5194/acp-10-10359-2010\nC The annual 2002 deposition fields from a previous bi-\nC directional model run using values ~ 100 was used. \nC The model is not very sensitive to this parameter\nC and using different annual deposition fileds would\nC result in small changes. \nC Sept 12 12 D. Schwede Added NLCD40 land use classification.\nC Also some changes made to values in tables for NLCD50.\nC Maintain compatability with previous versions of MCIP and detect NLCD-MODIS\nC as the same as NLCD50\nC Nov 5 12 D. Schwede Modified albedo for NLCD pasture and grass categories so that they are more\nC consistent with the MODIS and USGS values\nC Apr 4 13 J. Bash Added general water, forest, shrub, grass, snow/ice, \nC agricultural land use classification in a land use type \nC to simplify how bidirectional NH3 code handles different \nC land use data sets. \nC Aug 22 14 J. Bash Moved all the data to defined data types for easier updates and data access. \nC Feb. 2019 D. Wong Implemented centralized I/O approach\nC 25 Jul 19 D.Wong Based on logical variable WRF_V4P defined in RUNTIME_VARS to handle\nC various number of soil type from different WRF version\nC References:\nC Noilhan, J., Planton, S., A Simple Parameterization of Land Surface Processes for Meteorological Models\nC Monthly Weather Review, 117(3), 536-549, https://doi.org/10.1175/1520-0493(1989)117%3C0536:ASPOLS%3E2.0.CO;2\nC 1989\nC Jacquemin, B., Noilhan, J., Sensitivity study and validation of a land surface parameterization using the HAPEX-MOBILHY \nC data set, Boundary-Layer Meteorology, 52, 93-234, https://doi.org/10.1007/BF00123180, 1990\nC Campbell, G.S., Norman, J.M., An Introduction to Environmental Biophysics, Springer, New York, NY, 286 pages, \nC ISBN: 978-1-4612-1626-1 \nC------------------------------------------------------------------------------\n \n Implicit None\n \n INTEGER, PARAMETER :: N_SOIL_TYPE_WRFV4P = 16\n INTEGER, PARAMETER :: N_SOIL_TYPE_WRFV3 = 11\n INTEGER :: N_SOIL_TYPE\n\n REAL, ALLOCATABLE :: wwlt_px (:) ! Soil volumetric wilting point (m3/m3)\n REAL, ALLOCATABLE :: wsat_px (:) ! Soil volumetric saturation (m3/m3)\n REAL, ALLOCATABLE :: bslp_px (:) ! Slope of the soil water retention curve on a loglog scale \n REAL, ALLOCATABLE :: wres_px (:) ! Soil volumetric residual moisture (m3/m3) \n REAL, ALLOCATABLE :: wfc_px (:) ! Soil volumetric field capacity (m3/m3) \n REAL, ALLOCATABLE :: rhob_px (:) ! Soil bulk density (kg/L)\n REAL, ALLOCATABLE :: psi_sat (:) ! Soil matric potential at saturation (kPa)\n REAL, SAVE :: wwlt_clm (19) ! Soil volumetric wilting point (m3/m3)\n REAL, SAVE :: wsat_clm (19) ! Soil volumetric saturation (m3/m3)\n REAL, SAVE :: bslp_clm (19) ! Slope of the soil water retention curve on a loglog scale \n REAL, SAVE :: wres_clm (19) ! Soil volumetric residual moisture (m3/m3) \n REAL, SAVE :: wfc_clm (19) ! Soil volumetric field capacity (m3/m3) \n REAL, SAVE :: rhob_clm (19) ! Soil bulk density (kg/L)\n REAL, SAVE :: wwlt_noah (19) ! Soil volumetric wilting point (m3/m3)\n REAL, SAVE :: wsat_noah (19) ! Soil volumetric saturation (m3/m3)\n REAL, SAVE :: bslp_noah (19) ! Slope of the soil water retention curve on a loglog scale \n REAL, SAVE :: wres_noah (19) ! Soil volumetric residual moisture (m3/m3) \n REAL, SAVE :: wfc_noah (19) ! Soil volumetric field capacity (m3/m3) \n REAL, SAVE :: rhob_noah (19) ! Soil bulk density (kg/L)\n INTEGER, SAVE :: n_lufrac\n CHARACTER( 80 ), SAVE :: LAND_SCHEME\n\n INTEGER, SAVE :: n_xref_lu\n INTEGER, SAVE :: n_stage_lu\n INTEGER, PRIVATE, PARAMETER :: N_Map_Max = 200\n INTEGER, PRIVATE :: ALLOCSTAT\n \n TYPE DEP_MOD_LU_DATA\n Character( 16 ) :: LU_Name\n CHARACTER( 16 ) :: lu_cat\n Real :: RSMIN ! Minimum stomatal resistance (s/m)\n Real :: Z00 ! Momentum roughness length (cm)\n Real :: VEG0 ! Maximum vegetation fraction (%)\n Real :: VEGMN0 ! Minimum vegetation fraction (%)\n Real :: LAI0 ! Maximum single sided LAI (m2/m2)\n Real :: LAIMN0 ! Minimum single sided LAI (m2/m2)\n Real :: Gamma_NH3_grnd ! Under canopy NH3 emission potential ([mol NH4+]/[mol H+])\n Real :: Gamma_NH3_st ! Vegetation NH3 emission potential ([mol NH4+]/[mol H+])\n Real :: Hg_grnd ! Soil Hg concentration (umol/g)\n Real :: l_width ! leaf width (m)\n Real :: Alpha ! Zhang et al. 2003/Emerson et al. 2020 empirical land use parameter (unitless)\n Real :: BAI ! Building area index (m2/m2)\n Real :: Ahair ! Leaf hair width (m)\n Real :: Fhair ! Leaf hair fraction (ratio)\n Real :: Aleaf ! Leaf aerodynamic width (m)\n Integer :: LU_Index\n END TYPE\n TYPE( DEP_MOD_LU_DATA ) STAGE_LU_DATA( N_Map_Max )\n\n TYPE MET_MOD_LU_DATA\n Character(20) :: Met_LU_Name\n Integer :: Met_Index\n Character(20) :: Dep_LU_Name\n Integer :: Dep_Index\n Real :: Factor\n Character(30) :: Description\n END TYPE\n TYPE( MET_MOD_LU_DATA ) MET_TO_STAGE_LU( N_Map_Max )\n\nC-------------------------------------------------------------------------------\nC Soil Characteristics by Type from WRF 3.8.1 PX\nC\nC # SOIL TYPE WSAT WFC WWLT BSLP CGSAT JP AS C2R C1SAT WRES\nC _ _________ ____ ___ ____ ____ _____ ___ ___ ___ _____ ____\nC 1 SAND .395 .135 .068 4.05 3.222 4 .387 3.9 .082 .020\nC 2 LOAMY SAND .410 .150 .075 4.38 3.057 4 .404 3.7 .098 .035\nC 3 SANDY LOAM .435 .195 .114 4.90 3.560 4 .219 1.8 .132 .041\nC 4 SILT LOAM .485 .255 .179 5.30 4.418 6 .105 0.8 .153 .015\nC 5 LOAM .451 .240 .155 5.39 4.111 6 .148 0.8 .191 .027\nC 6 SND CLY LM .420 .255 .175 7.12 3.670 6 .135 0.8 .213 .068\nC 7 SLT CLY LM .477 .322 .218 7.75 3.593 8 .127 0.4 .385 .040\nC 8 CLAY LOAM .476 .325 .250 8.52 3.995 10 .084 0.6 .227 .075\nC 9 SANDY CLAY .426 .310 .219 10.40 3.058 8 .139 0.3 .421 .109\nC 10 SILTY CLAY .482 .370 .283 10.40 3.729 10 .075 0.3 .375 .056\nC 11 CLAY .482 .367 .286 11.40 3.600 12 .083 0.3 .342 .090\nC\nC-------------------------------------------------------------------------------\n\n!-- WSAT is saturated soil moisture (M^3/M^3) (JN90)\n REAL, PARAMETER :: WSAT_PX_WRFV3(N_SOIL_TYPE_WRFV3) = \n & (/ 0.395, 0.410, 0.435, 0.485, 0.451, 0.420, 0.477,\n & 0.476, 0.426, 0.482, 0.482 /)\n!-- WWLT is wilting point (M^3/M^3) (JN90)\n REAL, PARAMETER :: WWLT_PX_WRFV3(N_SOIL_TYPE_WRFV3) =\n & (/ 0.068, 0.075, 0.114, 0.179, 0.155, 0.175, 0.218,\n & 0.250, 0.219, 0.283, 0.286 /)\n!-- B is slope of the retention curve (NP89)\n REAL, PARAMETER :: BSLP_PX_WRFV3(N_SOIL_TYPE_WRFV3) =\n & (/ 4.05, 4.38, 4.90, 5.30, 5.39, 7.12, 7.75,\n & 8.52, 10.40, 10.40, 11.40 /)\n! -- RHOB is the soil bulk density \n REAL, PARAMETER :: RHOB_PX_WRFV3(N_SOIL_TYPE_WRFV3) =\n & (/ 1.59e6, 1.55e6, 1.53e6, 1.53e6, 1.55e6, 1.62e6, 1.67e6,\n & 1.66e6, 1.83e6, 1.78e6, 1.83e6 /)\n\nC-------------------------------------------------------------------------------\nC Soil Characteristics by Type for WRF4+ PX\nC\nC # SOIL TYPE WSAT WFC WWLT BSLP CGSAT JP AS C2R C1SAT WRES\nC _ _________ ____ ___ ____ ____ _____ ___ ___ ___ _____ ____\nC 1 SAND .395 .135 .068 4.05 3.222 4 .387 3.9 .082 .020\nC 2 LOAMY SAND .410 .150 .075 4.38 3.057 4 .404 3.7 .098 .035\nC 3 SANDY LOAM .435 .195 .114 4.90 3.560 4 .219 1.8 .132 .041\nC 4 SILT LOAM .485 .255 .179 5.30 4.418 6 .105 0.8 .153 .015\nC 5 SILT .480 .260 .150 5.30 4.418 6 .105 0.8 .153 .020\nC 6 LOAM .451 .240 .155 5.39 4.111 6 .148 0.8 .191 .027\nC 7 SND CLY LM .420 .255 .175 7.12 3.670 6 .135 0.8 .213 .068\nC 8 SLT CLY LM .477 .322 .218 7.75 3.593 8 .127 0.4 .385 .040\nC 9 CLAY LOAM .476 .325 .250 8.52 3.995 10 .084 0.6 .227 .075\nC 10 SANDY CLAY .426 .310 .219 10.40 3.058 8 .139 0.3 .421 .109\nC 11 SILTY CLAY .482 .370 .283 10.40 3.729 10 .075 0.3 .375 .056\nC 12 CLAY .482 .367 .286 11.40 3.600 12 .083 0.3 .342 .090\nC 13 ORGANICMAT .451 .240 .155 5.39 4.111 6 .148 0.8 .191 .027\nC 14 WATER .482 .367 .286 11.40 3.600 12 .083 0.3 .342 .090\nC 15 BEDROCK .482 .367 .286 11.40 3.600 12 .083 0.3 .342 .090\nC 16 OTHER .420 .255 .175 7.12 3.670 6 .135 0.8 .213 .068\nC-------------------------------------------------------------------------------\n\n!-- WSAT is saturated soil moisture (M^3/M^3) (JN90)\n REAL, PARAMETER :: WSAT_PX_WRFV4P(N_SOIL_TYPE_WRFV4P) = \n & (/ 0.395, 0.410, 0.435, 0.485, 0.480, 0.451, 0.420, 0.477,\n & 0.476, 0.426, 0.482, 0.482, 0.451, 0.482, 0.482, 0.420 /)\n!-- WWLT is wilting point (M^3/M^3) (JN90)\n REAL, PARAMETER :: WWLT_PX_WRFV4P(N_SOIL_TYPE_WRFV4P) = \n & (/ 0.068, 0.075, 0.114, 0.179, 0.150, 0.155, 0.175, 0.218,\n & 0.250, 0.219, 0.283, 0.286, 0.155, 0.286, 0.286, 0.175 /)\n!-- B is slop of the retention curve (NP89)\n REAL, PARAMETER :: BSLP_PX_WRFV4P(N_SOIL_TYPE_WRFV4P) = \n & (/ 4.05, 4.38, 4.90, 5.30, 5.30, 5.39, 7.12, 7.75,\n & 8.52, 10.40, 10.40, 11.40, 5.39, 11.40, 11.40, 7.12 /)\n! -- RHOB is the soil bulk density \n REAL, PARAMETER :: RHOB_PX_WRFV4P(N_SOIL_TYPE_WRFV4P) = \n & (/ 1.59e6, 1.55e6, 1.53e6, 1.53e6, 1.53e6, 1.55e6, 1.62e6, 1.67e6,\n & 1.66e6, 1.83e6, 1.78e6, 1.83e6, 1.62e6, 1.83e6, 1.83e6, 1.67e6 /)\n\nC-------------------------------------------------------------------------------\nC Soil hydrolic properties as calculated from soil sand and clay fractions \nC in WRF-CLM in WRF 3.7.1-3.8.1. \nC WRES is calculated as WSAT*(psi_air_dry/psi_sat)^(-1.0/BSLP) following CLM soil hydraulic \nC relationships. Note that this is a common paramterization, e.g. Campbell and Norman (1998)\nC where psi_air_dry = -300,000 kPa\nC\nC # SOIL TYPE WSAT WFC WWLT BSLP CGSAT JP AS C2R C1SAT WRES\nC _ _________ ____ ___ ____ ____ _____ ___ ___ ___ _____ ____\nC 1 SAND .373 .135 .029 3.30 3.222 4 .387 3.9 .082 .016\nC 2 LOAMY SAND .388 .156 .042 3.65 3.057 4 .404 3.7 .098 .025\nC 3 SANDY LOAM .406 .192 .071 4.47 3.560 4 .219 1.8 .132 .049\nC 4 SILT LOAM .464 .269 .138 5.40 4.418 6 .105 0.8 .153 .108\nC 5 SILT .483 .250 .096 3.87 .075\nC 6 LOAM .435 .248 .127 5.80 4.111 6 .148 0.8 .191 .096\nC 7 SND CLY LM .413 .249 .143 7.16 3.670 6 .135 0.8 .213 .109\nC 8 SLT CLY LM .476 .331 .225 8.25 3.593 8 .127 0.4 .385 .185\nC 9 CLAY LOAM .449 .299 .195 8.19 3.995 10 .084 0.6 .227 .157\nC 10 SANDY CLAY .425 .288 .195 9.38 3.058 8 .139 0.3 .421 .156\nC 11 SILTY CLAY .481 .360 .270 10.46 3.729 10 .075 0.3 .375 .227\nC 12 CLAY .461 .351 .270 12.14 3.600 12 .083 0.3 .342 .227\nC 13 ORGANIC .439 .241 .115 5.29 .086\nC 14 WATER .489 .229 .066 3.10 1.0 0 .0 0.0 .0 .052\nC 15 BEDROCK .363 .114 .017 2.80 .008\nC 16 OTHER .421 .200 .073 4.27 3.222 4 .387 3.9 .082 .051\nC 17 PLAYA .468 .353 .296 11.53 .227 \nC 18 LAVA .363 .114 .017 2.80 .001\nC 19 WHITE SAND .373 .135 .029 3.30 .016\nC-------------------------------------------------------------------------------\n!-- WSAT is saturated soil moisture (M^3/M^3)\n DATA WSAT_CLM / 0.373, 0.388, 0.406, 0.464, 0.483, 0.435, 0.413, 0.476,\n & 0.449, 0.425, 0.481, 0.461, 0.439, 0.489, 0.363, 0.421, \n & 0.468, 0.363, 0.373 /\n!-- WFC is soil field capacity \n DATA WFC_CLM / 0.135, 0.156, 0.192, 0.269, 0.250, 0.248, 0.249, 0.331,\n & 0.299, 0.288, 0.360, 0.351, 0.241, 0.229, 0.114, 0.200,\n & 0.353, 0.114, 0.135 /\n!-- WWLT is wilting point (M^3/M^3)\n DATA WWLT_CLM / 0.029, 0.042, 0.071, 0.138, 0.096, 0.127, 0.143, 0.225,\n & 0.195, 0.195, 0.270, 0.270, 0.115, 0.066, 0.017, 0.073,\n & 0.269, 0.017, 0.029 /\n!-- B is slope of the retention curve\n DATA BSLP_CLM / 3.30, 3.65, 4.47, 5.40, 3.87, 5.80, 7.16, 8.25,\n & 8.19, 9.38, 10.46, 12.14, 5.29, 3.10, 2.80, 4.27,\n & 11.53, 2.80, 3.30 /\n!-- WRES is residual soil moisture\n DATA WRES_CLM / 0.016, 0.025, 0.049, 0.108, 0.075, 0.096, 0.109, 0.185,\n & 0.157, 0.156, 0.227, 0.227, 0.086, 0.052, 0.008, 0.051,\n & 0.227, 0.008, 0.016 /\n! -- RHOB is the soil bulk density\n DATA RHOB_CLM / 1.69e6, 1.65e6, 1.60e6, 1.45e6, 1.40e6, 1.53e6, 1.58e6, 1.41e6,\n & 1.49e6, 1.55e6, 1.40e6, 1.45e6, 1.51e6, 1.38e6, 1.72e6, 1.56e6,\n & 1.44e6, 1.72e6, 1.69e6 /\n\n\nC-------------------------------------------------------------------------------\nC Soil hydraulic properties updated (Patrick Campbell & Jesse Bash,Dec 2016) using obs/models in Kishne et al. (2017):\nC \"Evaluation and improvement of the default soil hydraulic parameters for the Noah Land Surface Model\"\nC The updated variables should match with representative run/SOILPARM.TBL for WRF NOAH, such that -->\nC WSAT_NOAH = MAXSMC, WFC_NOAH = REFSMC, WWLT_NOAH = WLTSMC, and BSLP_NOAH = BB \nC Note: Categories of Organic material, Water, Bedrock, Other (land-ice), Playa, and White sand \nC are not updated because no soil characterization data or insufficient number of samples are available. \nC WRES is calculated as (psi_air_dry/psi_sat)^(-1.0/BSLP)*WSAT following CLM soil hydrology \nC relationships, but with updated NOAH values. Note that this is a common paramterization, e.g. Campbell and Norman (1998)\nC where psi_air_dry = -300,000 kPa\nC # SOIL TYPE WSAT WFC WWLT BSLP CGSAT JP AS C2R C1SAT WRES\nC _ _________ ____ ___ ____ ____ _____ ___ ___ ___ _____ ____\nC 1 SAND .402 .086 .024 3.36 3.222 4 .387 3.9 .082 .004\nC 2 LOAMY SAND .396 .142 .057 4.06 3.057 4 .404 3.7 .098 .010\nC 3 SANDY LOAM .413 .213 .081 4.85 3.560 4 .219 1.8 .132 .016\nC 4 SILT LOAM .456 .303 .123 5.72 4.418 6 .105 0.8 .153 .023\nC 5 SILT .438 .346 .064 4.18 .010\nC 6 LOAM .440 .274 .128 6.01 4.111 6 .148 0.8 .191 .022\nC 7 SND CLY LM .416 .288 .168 7.03 3.670 6 .135 0.8 .213 .029\nC 8 SLT CLY LM .457 .350 .212 8.49 3.593 8 .127 0.4 .385 .039\nC 9 CLAY LOAM .449 .335 .196 8.20 3.995 10 .084 0.6 .227 .036\nC 10 SANDY CLAY .425 .355 .239 8.98 3.058 8 .139 0.3 .421 .037\nC 11 SILTY CLAY .467 .392 .264 10.24 3.729 10 .075 0.3 .375 .052\nC 12 CLAY .506 .428 .285 11.56 3.600 12 .083 0.3 .342 .058\nC 13 ORGANIC .439 .286 .118 5.25 .003\nC 14 WATER .489 .229 .066 3.10 1.0 0 .0 0.0 .0 .052\nC 15 BEDROCK .200 .050 .009 2.79 .001\nC 16 OTHER .421 .145 .049 4.26 3.222 4 .387 3.9 .082 .010\nC 17 PLAYA .468 .395 .264 11.55 .147 \nC 18 LAVA .200 .050 .009 2.79 .001\nC 19 WHITE SAND .339 .084 .015 2.79 .001\nC-------------------------------------------------------------------------------\n!-- WSAT is saturated soil moisture (M^3/M^3)\n DATA WSAT_NOAH / 0.402, 0.396, 0.413, 0.456, 0.438, 0.440, 0.416, 0.457, \n & 0.449, 0.425, 0.467, 0.506, 0.439, 0.489, 0.200, 0.421,\n & 0.468, 0.200, 0.339 /\n!-- WFC is soil field capacity \n DATA WFC_NOAH / 0.086, 0.142, 0.213, 0.303, 0.346, 0.274, 0.288, 0.350,\n & 0.335, 0.355, 0.392, 0.428, 0.286, 0.229, 0.050, 0.145, \n & 0.395, 0.050, 0.084 /\n!-- WWLT is wilting point (M^3/M^3)\n DATA WWLT_NOAH / 0.024, 0.057, 0.081, 0.123, 0.064, 0.128, 0.168, 0.212, \n & 0.196, 0.239, 0.264, 0.285, 0.118, 0.066, 0.009, 0.049,\n & 0.264, 0.009, 0.015 /\n!-- B is slope of the retention curve\n DATA BSLP_NOAH / 3.36, 4.06, 4.85, 5.72, 4.18, 6.01, 7.03, 8.49,\n & 8.20, 8.98, 10.24, 11.56, 5.25, 3.10, 2.79, 4.26,\n & 11.55, 2.79, 2.79 /\n!-- WRES is residual soil moisture\n DATA WRES_NOAH / 0.004, 0.010, 0.016, 0.023, 0.010, 0.022, 0.029, 0.039,\n & 0.036, 0.037, 0.052, 0.058, 0.003, 0.052, 0.001, 0.010,\n & 0.147, 0.001, 0.001 / \n! -- RHOB is the soil bulk density\n DATA RHOB_NOAH / 1.69e6, 1.65e6, 1.60e6, 1.45e6, 1.40e6, 1.53e6, 1.58e6, 1.41e6,\n & 1.49e6, 1.55e6, 1.40e6, 1.45e6, 1.51e6, 1.38e6, 1.72e6, 1.56e6,\n & 1.44e6, 1.72e6, 1.69e6 /\n\n CONTAINS \n SUBROUTINE INIT_LSM( JDate, JTime ) \n \n USE HGRD_DEFN \n USE UTILIO_DEFN \n USE RUNTIME_VARS, ONLY : WRF_V4P\n#ifdef twoway \n USE twoway_data_module, ONLY : num_land_cat\n#endif \n \n IMPLICIT NONE \n \n INCLUDE SUBST_FILES_ID ! file name parameters \n \n INTEGER, INTENT( In ) :: jdate \n INTEGER, INTENT( In ) :: jtime \n CHARACTER( 240 ) :: XMSG = ' ' \n CHARACTER( 16 ), SAVE :: PNAME = 'Init_LSM'\n INTEGER l \n INTEGER :: STAT\n\n LOGICAL, SAVE :: INITIALIZED = .FALSE.\n\n IF( INITIALIZED ) RETURN\n INITIALIZED = .TRUE.\n\n IF (WRF_V4P) THEN\n N_SOIL_TYPE = N_SOIL_TYPE_WRFV4P\n ELSE\n N_SOIL_TYPE = N_SOIL_TYPE_WRFV3\n END IF\n\n ALLOCATE (WSAT_PX(N_SOIL_TYPE),\n & WFC_PX(N_SOIL_TYPE),\n & WWLT_PX(N_SOIL_TYPE),\n & BSLP_PX(N_SOIL_TYPE),\n & WRES_PX(N_SOIL_TYPE),\n & RHOB_PX(N_SOIL_TYPE),\n & PSI_SAT(N_SOIL_TYPE),\n & STAT=STAT)\n\n IF (WRF_V4P) THEN\n WSAT_PX = WSAT_PX_WRFV4P\n WWLT_PX = WWLT_PX_WRFV4P\n BSLP_PX = BSLP_PX_WRFV4P\n RHOB_PX = RHOB_PX_WRFV4P\n ELSE\n WSAT_PX = WSAT_PX_WRFV3\n WWLT_PX = WWLT_PX_WRFV3\n BSLP_PX = BSLP_PX_WRFV3\n RHOB_PX = RHOB_PX_WRFV3\n END IF\n\n#ifdef twoway \n IF ( NUM_LAND_CAT .EQ. 24 ) THEN \n LAND_SCHEME = 'USGS24' \n ELSE IF ( NUM_LAND_CAT .EQ. 20 ) THEN \n LAND_SCHEME = 'MODIS' \n ELSE IF ( NUM_LAND_CAT .EQ. 50 ) THEN \n LAND_SCHEME = 'NLCD50' \n ELSE IF ( NUM_LAND_CAT .EQ. 40 ) THEN \n LAND_SCHEME = 'NLCD40' \n END IF \n#endif \n Call STAGE_LU_MAPPER \n \n END SUBROUTINE Init_LSM \n \n SUBROUTINE STAGE_LU_MAPPER\n \n USE RUNTIME_VARS, ONLY: STAGECTRL, LOGDEV\n use UTILIO_DEFN\n \n IMPLICIT NONE\n\n Logical :: n_stage_end\n Logical :: n_xref_end\n CHARACTER( 200 ) :: XMSG\n INTEGER :: DEPCTRL_NML\n INTEGER :: LU_NML\n INTEGER :: STAT\n \n NAMELIST / STAGE_LU / STAGE_LU_DATA\n NAMELIST / STAGE_MODIS_20 / MET_TO_STAGE_LU\n NAMELIST / STAGE_NLCD_40 / MET_TO_STAGE_LU\n NAMELIST / STAGE_NLCD_50 / MET_TO_STAGE_LU\n NAMELIST / STAGE_USGS_24 / MET_TO_STAGE_LU\n NAMELIST / STAGE_CUSTOM / MET_TO_STAGE_LU\n\n \n STAGE_LU_DATA%LU_Name = 'N/A'\n STAGE_LU_DATA%LU_Cat = 'N/A'\n STAGE_LU_DATA%RSMIN = 9999.0\n STAGE_LU_DATA%Z00 = 0.0\n STAGE_LU_DATA%VEG0 = 0.0\n STAGE_LU_DATA%VEGMN0 = 0.0\n STAGE_LU_DATA%LAI0 = 0.0\n STAGE_LU_DATA%LAIMN0 = 0.0\n STAGE_LU_DATA%Gamma_NH3_grnd = 0.0\n STAGE_LU_DATA%Gamma_NH3_st = 0.0\n STAGE_LU_DATA%Hg_grnd = 0.0\n STAGE_LU_DATA%l_width = 0.0\n STAGE_LU_DATA%Alpha = 0.0\n STAGE_LU_DATA%BAI = 0.0\n STAGE_LU_DATA%Ahair = 0.0\n STAGE_LU_DATA%Fhair = 0.0\n STAGE_LU_DATA%Aleaf = 0.0\n STAGE_LU_DATA%LU_Index = 0\n\n MET_TO_STAGE_LU%Met_LU_Name = 'N/A'\n MET_TO_STAGE_LU%Met_Index = 0\n MET_TO_STAGE_LU%Dep_LU_Name = 'N/A'\n MET_TO_STAGE_LU%Dep_Index = 0\n MET_TO_STAGE_LU%Factor = 0.0\n MET_TO_STAGE_LU%Description = 'N/A' \n\n ! Retrieve the Name of the STAGE Control File\n IF ( STAGECTRL .EQ. \"STAGECTRL_NML\" ) THEN\n WRITE( LOGDEV, \"(5x,A,/,5x,A,/,5x,A)\"),\n & 'You have chosen not to indicate the location of an',\n & 'STAGE Control namelist file. Default settings ',\n & 'will be assumed.'\n RETURN\n END IF\n\n ! Open STAGE Control Namelist File\n DEPCTRL_NML = JUNIT()\n OPEN( FILE = STAGECTRL, UNIT = DEPCTRL_NML, STATUS = 'OLD',\n & POSITION = 'REWIND', FORM='FORMATTED', IOSTAT = STAT )\n\n ! Check for Error in File Open Process\n IF ( STAT .NE. 0 ) THEN\n WRITE( XMSG, '(A,A,A)' ),'ERROR: Could not read ',\n & 'STAGE control namelist file: ',TRIM( STAGECTRL )\n CALL M3EXIT( 'STAGE_LU_MAPPER',0,0,XMSG,1 )\n END IF\n\n REWIND( DEPCTRL_NML )\n READ( NML = STAGE_LU, UNIT = DEPCTRL_NML, IOSTAT=STAT )\n IF ( STAT .NE. 0 ) THEN\n WRITE( LOGDEV, \"(5x,A,/,5x,A,/,5x,A,/,5x,A)\" ),\n & 'Warning! Something went wrong while reading the ',\n & 'STAGE land use section of the STAGE ',\n & 'Control Namelist. Default values for this section ',\n & 'will be assumed.'\n END IF\n\n n_stage_lu = maxval(STAGE_LU_DATA%LU_Index)\n\n REWIND( DEPCTRL_NML ) \n\n WRITE( LOGDEV,*) 'Mapping ', LAND_SCHEME, ' to STAGE land use categories.' \n \n SELECT CASE( LAND_SCHEME ) \n CASE( 'MODIS' ) \n READ( NML = STAGE_MODIS_20, UNIT = DEPCTRL_NML, IOSTAT=STAT )\n IF ( STAT .NE. 0 ) THEN\n WRITE( LOGDEV, \"(A,A,A)\" ),\n & 'ERROR: Something went wrong while reading the ',\n & 'STAGE land use mapping section for MODIS 20 data ',\n & 'of the STAGE Control Namelist.', TRIM( STAGECTRL )\n CALL M3EXIT( 'STAGE_LU_MAPPER',0,0,XMSG,1 )\n END IF\n\n n_xref_lu = 1\n n_xref_end = .TRUE. ! rename\n Do While( n_xref_end )\n If( MET_TO_STAGE_LU(n_xref_lu)%Met_LU_Name .Eq. 'N/A' ) Then\n n_xref_end = .FALSE.\n n_xref_lu = n_xref_lu - 1\n Else\n n_xref_lu = n_xref_lu + 1\n End If\n End Do\n\n CASE( 'NLCD40' ) \n READ( NML = STAGE_NLCD_40, UNIT = DEPCTRL_NML, IOSTAT=STAT )\n IF ( STAT .NE. 0 ) THEN\n WRITE( LOGDEV, \"(A,A,A)\" ),\n & 'ERROR: Something went wrong while reading the ',\n & 'STAGE land use mapping section for NLCD 40 data ',\n & 'of the STAGE Control Namelist.', TRIM( STAGECTRL )\n CALL M3EXIT( 'STAGE_LU_MAPPER',0,0,XMSG,1 )\n END IF\n\n n_xref_lu = 1\n n_xref_end = .TRUE. ! rename\n Do While( n_xref_end )\n If( MET_TO_STAGE_LU(n_xref_lu)%Met_LU_Name .Eq. 'N/A' ) Then\n n_xref_end = .FALSE.\n n_xref_lu = n_xref_lu - 1\n Else\n n_xref_lu = n_xref_lu + 1\n End If\n End Do\n CASE( 'NLCD50' )\n READ( NML = STAGE_NLCD_50, UNIT =DEPCTRL_NML, IOSTAT=STAT )\n IF ( STAT .NE. 0 ) THEN\n WRITE( LOGDEV, \"(A,A,A)\" ),\n & 'ERROR: Something went wrong while reading the ',\n & 'STAGE land use mapping section for NLCD 50 data ',\n & 'of the STAGE Control Namelist.', TRIM( STAGECTRL )\n CALL M3EXIT( 'STAGE_LU_MAPPER',0,0,XMSG,1 )\n END IF\n\n n_xref_lu = 1\n n_xref_end = .TRUE. ! rename\n Do While( n_xref_end )\n If( MET_TO_STAGE_LU(n_xref_lu)%Met_LU_Name .Eq. 'N/A' ) Then\n n_xref_end = .FALSE.\n n_xref_lu = n_xref_lu - 1\n Else\n n_xref_lu = n_xref_lu + 1\n End If\n End Do\n CASE( 'USGS24' )\n READ( NML = STAGE_USGS_24, UNIT = DEPCTRL_NML, IOSTAT=STAT )\n IF ( STAT .NE. 0 ) THEN\n WRITE( LOGDEV, \"(A,A,A)\" ),\n & 'ERROR: Something went wrong while reading the ',\n & 'STAGE land use mapping section for USGS 24 data ',\n & 'of the STAGE Control Namelist.', TRIM( STAGECTRL )\n CALL M3EXIT( 'STAGE_LU_MAPPER',0,0,XMSG,1 )\n END IF\n\n n_xref_lu = 1\n n_xref_end = .TRUE. ! rename\n Do While( n_xref_end )\n If( MET_TO_STAGE_LU(n_xref_lu)%Met_LU_Name .Eq. 'N/A' ) Then\n n_xref_end = .FALSE.\n n_xref_lu = n_xref_lu - 1\n Else\n n_xref_lu = n_xref_lu + 1\n End If\n End Do\n \n CASE DEFAULT \n READ( NML = STAGE_CUSTOM, UNIT = DEPCTRL_NML, IOSTAT=STAT )\n IF ( STAT .NE. 0 ) THEN\n WRITE( LOGDEV, \"(A,A,A)\" ),\n & 'ERROR: Something went wrong while reading the ',\n & 'STAGE land use mapping section for Custom LU data ',\n & 'of the STAGE Control Namelist.', TRIM( STAGECTRL )\n CALL M3EXIT( 'STAGE_LU_MAPPER',0,0,XMSG,1 )\n END IF\n\n n_xref_lu = 1\n n_xref_end = .TRUE. ! rename\n Do While( n_xref_end )\n If( MET_TO_STAGE_LU(n_xref_lu)%Met_LU_Name .Eq. 'N/A' ) Then\n n_xref_end = .FALSE.\n n_xref_lu = n_xref_lu - 1\n Else\n n_xref_lu = n_xref_lu + 1\n End If\n End Do\n\n END SELECT \n CLOSE( UNIT = DEPCTRL_NML ) \n n_lufrac = maxval(MET_TO_STAGE_LU%Met_Index)\n END SUBROUTINE STAGE_LU_MAPPER\n \n END MODULE LSM_Mod \n" }, { "path": "CCTM/src/depv/stage/MOSAIC_MOD.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nc:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n Module MOSAIC_MOD\n \nC Contains the shared variables and subrountes needed estimate the resistances\nC from natural and agricultural lands\n \nC Revision History: J. Bash June 16 2011: Created\nC J. Young Oct 31 2011: changed lai0, laimn0, rsmin, VEG0, vegmn0,\nC z00, & luf_fac to pointers to save memory\nC D. Schwede Mar 12 2012: fixed errors in crop lai\nC D. Schwede Sept 07 2012: updated code for NLCD40 land use classification\nC J. Bash: Nov 07 2014: Modified for the restructuring of vidff. Most \nC mosaic variables were moved to ASX_DATA_MOD. \nC Algorithms were restructured using fortran 90 \nC array constructs for readability.\nC D. Wong: Feb 10 2019: removed all MY_N clauses\nC D. Wong: Apr 24 2019: removed unused BUFF2D_2 array\nC-------------------------------------------------------------------------------\n\n Implicit None\n \nC Private variables used in this module and subroutines \n Real, Save, Allocatable, Private :: fseas ( :,: ) ! Non-agricultural seasonal leaf on/off 0.0-1.0 where 1.0 is leaf on condutions\n Real, Save, Allocatable, Private :: f_land ( :,: ) ! fraction of the grid cell that is land\n Real, Save, Allocatable, Private :: sum_mos_lai ( :,: ) ! sum of the land use LAI used for normalization\n Real, Save, Allocatable, Private :: sum_mos_veg ( :,: ) ! sum of the land use VEG used for normalization\n Real, Save, Allocatable, Private :: vseas ( :,: ) ! Agricultural seasonal leaf on/off 0.0-1.0 where 1.0 is leaf on condutions\n Real, Save, Allocatable, Private :: znotc ( :,: ) ! land use surface roughness lenth for momentum (m)\n Real, Save, Allocatable, Private :: lu_mean_ga ( :,: ) ! mean land use aerodynamic conductance used for normalization (m/s)\n Real, Save, Allocatable, Private :: lu_mean_ustar ( :,: ) ! mean land use ustar used for normalization (m/s)\n\n Integer, Save, Allocatable, Private :: lstwetdate( :,: ) ! last wet date\n Integer, Save, Allocatable, Private :: lstwettime( :,: ) ! last wet time \n\n Integer, PRIVATE :: ALLOCSTAT\n Integer, Save, PRIVATE :: l_ag, l_agmos\n Logical, Save, Allocatable, PRIVATE :: is_ag( : ) ! Agricultural flag\n Logical, Save, Allocatable, PRIVATE :: is_agmos( : ) ! Agricultural mosaic flag\n Logical, Save, Allocatable, PRIVATE :: is_water( : ) ! Water flag\n\nC Buffer variables \n Real, Pointer, Private :: BUFF2D ( :,: )\n\n Type :: Tile_Type \n Integer :: n_vd ! number of gas species for tiled output\n Integer :: n_lufrac ! number of land use for tiled output\n Real, Allocatable :: RSMIN ( : ) ! minimum stomatal resistance (s/m)\n Real, Allocatable :: Z00 ( : ) ! momentum roughness length (m)\n Real, Allocatable :: VEG0 ( : ) ! maximum vegetation coverage (%)\n Real, Allocatable :: VEGMN0 ( : ) ! minimum vegetation coverage (%)\n Real, Allocatable :: LAI0 ( : ) ! maximum lai (m2/m2)\n Real, Allocatable :: LAIMN0 ( : ) ! minimum lai (m2/m2)\n Real, Allocatable :: NH3_gam_grnd ( : ) ! soil/litter surface NH3 emission potential ([NH4]/[H])\n Real, Allocatable :: NH3_gam_st ( : ) ! vegetation NH3 emission potential ([NH4]/[H])\n Real, Allocatable :: Hg_grnd ( : ) ! soil Hg concentration (umol/g )\n Real, Allocatable :: l_width ( : ) ! aerodynamic leaf width (m)\n Real, Allocatable :: Alpha ( : ) ! Emerson et al 2020 PNAS empirical land use factor (unitless)\n Real, Allocatable :: BAI ( : ) ! building area index (m2/m2)\n Real, Allocatable :: Ahair ( : ) ! leaf hair width (m)\n Real, Allocatable :: Fhair ( : ) ! ratio of leaf covered in hairs\n Real, Allocatable :: Aleaf ( : ) ! aerodynamic leaf width \n!> Mapping for diagnostic ouputs\n Character( 16 ), Allocatable :: cat_lu ( : ) ! Tiled LU name\n Character( 16 ), Allocatable :: name_lu ( : ) ! Land use output name\n Logical, Allocatable :: gas_out ( : ) ! vector of length N_SPC_DIFF with TRUE for output\n Character( 16 ), Allocatable :: Vd_Name ( : ) ! Deposition species output name\n Logical, Allocatable :: Vd_out ( : ) ! vector of length N_SPC_DEPV with TRUE for output\n Integer, Allocatable :: dep2vdiff ( : ) ! Vdiff location for dep species\n Real, Allocatable :: Vd_fac ( : ) ! Vd factor from the GC, NR, and TR namelists\n!> Mean grid cell output \n Real, Allocatable :: Grd_Vd ( :,:,: ) ! Grid mean gaseous and aerosol deposition velocity\n Real, Allocatable :: Bidi_Emis ( :,:,: ) ! Grid bidirectional Emissions\n!> Aggrigated fractional land use \n Real, Allocatable :: LUfrac ( :,:,: ) ! land use fraction (ratio)\n!> Sub grid cell output:\n Real, Allocatable :: Lu_Vd ( :,:,:,: ) ! gaseous and aerosol deposition velocity\n End Type Tile_Type\n\n Type( Tile_Type ), Save :: Tile_Data \n \n Contains\n\n Subroutine Init_Mosaic( jdate, jtime, lufrac ) \n \n Use HGRD_DEFN\n Use LSM_Mod\n Use UTILIO_DEFN\n USE STAGE_DATA, Only:dep_gas_all ! needs to be n_gas_asx to save memory but will require remapping\n USE CGRID_SPCS ! CGRID mechanism species\n USE RUNTIME_VARS\n USE CENTRALIZED_IO_MODULE, Only: WR_AVAIL\n \n Implicit None \n\nC...include files\n\n Include SUBST_FILES_ID ! file name parameters \n \n Integer, Intent( In ) :: jdate\n Integer, Intent( In ) :: jtime\n Real, Intent( In ) :: lufrac( :,:,: ) \n Character( 240 ) :: xmsg = ' '\n Character( 16 ), save :: pname = 'Init_Mosaic'\n Integer n,l,s\n Integer N_GAS_DEPV\n Integer gxoff, gyoff ! global origin offset from file\n Integer :: strtcolgc2, endcolgc2, strtrowgc2, endrowgc2\n\n! Allocate Tile Data\n ALLOCATE ( Tile_Data%cat_lu ( n_stage_lu ),\n & Tile_Data%name_lu ( n_stage_lu ), \n & Tile_Data%RSMIN ( n_stage_lu ),\n & Tile_Data%LAI0 ( n_stage_lu ),\n & Tile_Data%LAIMN0 ( n_stage_lu ),\n & Tile_Data%VEG0 ( n_stage_lu ),\n & Tile_Data%VEGMN0 ( n_stage_lu ),\n & Tile_Data%Z00 ( n_stage_lu ),\n & Tile_Data%NH3_gam_st ( n_stage_lu ),\n & Tile_Data%NH3_gam_grnd ( n_stage_lu ),\n & Tile_Data%Hg_grnd ( n_stage_lu ),\n & Tile_Data%l_width ( n_stage_lu ),\n & Tile_Data%Alpha ( n_stage_lu ),\n & Tile_Data%BAI ( n_stage_lu ),\n & Tile_Data%Ahair ( n_stage_lu ),\n & Tile_Data%Fhair ( n_stage_lu ),\n & Tile_Data%Aleaf ( n_stage_lu ),STAT = ALLOCSTAT )\n If ( ALLOCSTAT .Ne. 0 ) Then\n XMSG = 'Failure allocating tile land use specific data'\n Call M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n End If\n\n! STAGE land use \n Tile_Data%n_lufrac = n_stage_lu\n Tile_Data%cat_lu = STAGE_LU_Data( 1:n_stage_lu )%LU_Cat\n Tile_Data%name_lu = STAGE_LU_Data( 1:n_stage_lu )%LU_Name\n Tile_Data%RSMIN = STAGE_LU_Data( 1:n_stage_lu )%RSMIN\n Tile_Data%LAI0 = STAGE_LU_Data( 1:n_stage_lu )%LAI0\n Tile_Data%LAIMN0 = STAGE_LU_Data( 1:n_stage_lu )%LAIMN0\n Tile_Data%VEG0 = STAGE_LU_Data( 1:n_stage_lu )%VEG0\n Tile_Data%VEGMN0 = STAGE_LU_Data( 1:n_stage_lu )%VEGMN0\n Tile_Data%Z00 = STAGE_LU_Data( 1:n_stage_lu )%Z00\n Tile_Data%NH3_gam_st = STAGE_LU_Data( 1:n_stage_lu )%Gamma_NH3_st\n Tile_Data%NH3_gam_grnd = STAGE_LU_Data( 1:n_stage_lu )%Gamma_NH3_grnd\n Tile_Data%Hg_grnd = STAGE_LU_Data( 1:n_stage_lu )%Hg_grnd\n Tile_Data%l_width = STAGE_LU_Data( 1:n_stage_lu )%l_width\n Tile_Data%Alpha = STAGE_LU_Data( 1:n_stage_lu )%Alpha\n Tile_Data%BAI = STAGE_LU_Data( 1:n_stage_lu )%BAI\n Tile_Data%Ahair = STAGE_LU_Data( 1:n_stage_lu )%Ahair\n Tile_Data%Fhair = STAGE_LU_Data( 1:n_stage_lu )%Fhair\n Tile_Data%Aleaf = STAGE_LU_Data( 1:n_stage_lu )%Aleaf\n \n! Allocate buffers\n ALLOCATE ( BUFF2D( ncols,nrows ), STAT = ALLOCSTAT )\n If ( ALLOCSTAT .Ne. 0 ) Then\n XMSG = 'Failure allocating 2D Buffers'\n Call M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n End If\n \n ALLOCATE ( fseas ( ncols,nrows ),\n & f_land ( ncols,nrows ),\n & sum_mos_lai ( ncols,nrows ),\n & sum_mos_veg ( ncols,nrows ), \n & vseas ( ncols,nrows ),\n & znotc ( ncols,nrows ), \n & lu_mean_ga ( ncols,nrows ), \n & lu_mean_ustar ( ncols,nrows ), STAT = ALLOCSTAT )\n If ( ALLOCSTAT .Ne. 0 ) Then\n XMSG = 'Failure allocating MOSAIC 2D variables'\n Call M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n End If\n f_land = 0.0\n\n IF( .not. WR_AVAIL ) Then\n ALLOCATE ( lstwetdate ( ncols,nrows ),\n & lstwettime ( ncols,nrows ), STAT = ALLOCSTAT )\n If ( ALLOCSTAT .Ne. 0 ) Then\n XMSG = 'Failure allocating MOSAIC lstwetdate and lstwettime'\n Call M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n End If\n lstwetdate = 0\n lstwettime = 0\n End If\n\n N_GAS_DEPV = N_GC_DEPV + N_NR_DEPV + N_TR_DEPV\n Allocate ( Tile_Data%Lu_Vd ( ncols,nrows,N_SPC_DEPV,Tile_Data%n_lufrac ), \n & Tile_Data%Grd_Vd ( ncols,nrows,N_SPC_DEPV ), \n & Tile_Data%Bidi_Emis ( ncols,nrows,N_SPC_DEPV ),\n & Tile_Data%LUfrac ( ncols,nrows,Tile_Data%n_lufrac ),\n & Tile_Data%Vd_Name ( N_SPC_DEPV ),\n & Tile_Data%Vd_Fac ( N_SPC_DEPV ),\n & Tile_Data%Vd_Out ( N_SPC_DEPV ), \n & Tile_Data%dep2vdiff ( N_SPC_DEPV ), \n & STAT = ALLOCSTAT ) \n If ( ALLOCSTAT .Ne. 0 ) Then\n XMSG = 'Failure allocating MOSAIC deposition velocities'\n Call M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n End If\n Tile_Data%Lu_Vd = 0.0\n Tile_Data%Grd_Vd = 0.0\n Tile_Data%Bidi_Emis = 0.0\n Tile_Data%Vd_Fac = 0.0 \n Tile_Data%dep2vdiff = 0 \n\n! Map Met land use to STAGE land use\n Tile_Data%LUfrac = 0.0\n Do n = 1, n_xref_lu\n s = MET_TO_STAGE_LU( n )%Dep_Index \n l = MET_TO_STAGE_LU( n )%Met_Index\n Tile_Data%LUfrac(:,:,s) = Tile_Data%LUfrac(:,:,s) +\n & MET_TO_STAGE_LU( n )%Factor * lufrac(:,:,l)\n End Do\n\n Allocate ( is_ag ( Tile_Data%n_lufrac ),\n & is_agmos ( Tile_Data%n_lufrac ), \n & is_water ( Tile_Data%n_lufrac ), STAT = ALLOCSTAT ) \n If ( ALLOCSTAT .Ne. 0 ) Then\n XMSG = 'Failure allocating is_ag, is_agmos, is_water'\n Call M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n End If\n is_ag = .FALSE.\n is_agmos = .FALSE.\n is_water = .FALSE.\n\n! Get the location of ag and water in the land use fractions\n Do l = 1, Tile_Data%n_lufrac\n If(Tile_Data%cat_lu(l) .Eq. 'AG' ) Then\n is_ag( l ) = .TRUE.\n l_ag = l\n End If\n If(Tile_Data%cat_lu(l) .Eq. 'AGMOS') Then\n is_agmos( l ) = .TRUE.\n l_agmos = l\n End If\n If(Tile_Data%cat_lu(l) .Eq. 'WATER') Then\n is_water( l ) = .TRUE.\n Else\n f_land = f_land + Tile_Data%lufrac(:,:,l)\n End If\n End Do\n\n Return \n \n End Subroutine Init_Mosaic\n \n Subroutine calc_lai( jday, jtime, SOIT2, LAI, VEG,\n & MOS_VEG, MOS_LAI, MOS_Z0 )\n\nC***********************************************************************\nC Function:\nC Calculate the lai for each LUC in the gridcell\nC Preconditions: none\nC Subroutines and Functions Called: none\nC Revision History:\nC***********************************************************************\n\n Use LSM_Mod\n\n Implicit None\n\nC Arguments:\n Integer, Intent( In ) :: jday\n Integer, Intent( In ) :: jtime \n Real, Intent( In ) :: SOIT2( :,: )\n Real, Intent( In ) :: LAI( :,: )\n Real, Intent( In ) :: VEG( :,: )\n Real, Intent( Out ) :: MOS_VEG( :,:,: )\n Real, Intent( Out ) :: MOS_LAI( :,:,: )\n Real, Intent( Out ) :: MOS_Z0( :,:,: )\n\nC Local variables:\n Integer :: c,r,j\n\nC Local volatile variables:\n Real, Pointer :: d_past_emer ( :,: )\n\nC initialize\n vseas = 0.0\n fseas = 0.0\n znotc = 0.0\n BUFF2D = 0.0\n MOS_VEG = 0.0\n MOS_LAI = 0.0\n MOS_Z0 = 0.0\n sum_mos_lai = 0.0\n sum_mos_veg = 0.0\n\nC calculate fseas based on deep soil temperature\n Where( SOIT2 .Lt. 290.0 .And. SOIT2 .Gt. 282.0 )\n fseas = 1.0 - 0.015625 * ( 290.0 - SOIT2 ) ** 2\n Elsewhere( SOIT2 .Ge. 290.0 )\n fseas = 1.0\n Elsewhere\n fseas = 0.0\n End where\nC based on a 10 C germination temperature for 5 cm soil depth reported multiple agricultural extension offices, \nC e.g. https://www.agry.purdue.edu/ext/corn/news/timeless/Emergence.html. \n Where( SOIT2 .Lt. 290.0 .And. SOIT2 .Gt. 283.0 )\n vseas = 1.0 - ( 290.0 - SOIT2 ) ** 2 / 49.0 \n Elsewhere( SOIT2 .Ge. 290.0 )\n vseas = 1.0\n Elsewhere\n vseas = 0.0\n End where\nC find z0_crop by finding days past emergence\n d_past_emer => BUFF2D\n d_past_emer = 0.0\n d_past_emer = ( ( Tile_Data%LAIMN0( l_ag ) + vseas * ( Tile_Data%LAI0( l_ag )\n & - Tile_Data%LAIMN0( l_ag ) ) ) ** ( 1.0 / 1.923 ) ) / 2.273\n d_past_emer = max(0.0184 * 0.0184 - 4.0 * 1.057e-4 * d_past_emer,0.0)\n d_past_emer = ( 0.0184 - SQRT( d_past_emer ) ) / ( 2.0 * 1.057E-4 )\n znotc = 0.05\n Where ( d_past_emer .Gt. 87.0 )\n znotc = 0.15\n Elsewhere( d_past_emer .Gt. 0.0 )\n znotc = 5.00 + 0.23 * d_past_emer - 1.32E-3 * d_past_emer**2\n znotc = znotc / 100.0 ! convert to meters\n End Where\n Nullify( d_past_emer )\nC get individual LAIs for LUCs for this date \n\n Do j = 1, Tile_Data%n_lufrac\n If( is_water( j ) ) Then\n Where( Tile_Data%LUFRAC( :,:,j ) .Gt. 0.0 )\n MOS_Z0 ( :,:,j ) = Tile_Data%Z00( j )\n End Where\n Else\n If ( .NOT. is_ag( j ) .And. .NOT. is_agmos( j ) ) Then\n Where( Tile_Data%LUFRAC( :,:,j ) .Gt. 0.0 )\n MOS_VEG( :,:,j ) = ( Tile_Data%VEGMN0( j ) + \n & fseas * ( Tile_Data%VEG0( j ) - Tile_Data%VEGMN0( j ) ) )/100.\n MOS_LAI( :,:,j ) = Tile_Data%LAIMN0( j ) + \n & fseas * ( Tile_Data%LAI0( j ) - Tile_Data%LAIMN0( j ) )\n MOS_Z0 ( :,:,j ) = Tile_Data%Z00( j )\n End Where\n Else If( is_ag( j ) ) Then\n Where( Tile_Data%LUFRAC( :,:,j ) .Gt. 0.0 )\n MOS_VEG( :,:,j ) = ( Tile_Data%VEGMN0( j ) + \n & vseas * ( Tile_Data%VEG0( j ) - Tile_Data%VEGMN0( j ) ) )/100.\n MOS_LAI( :,:,j ) = Tile_Data%LAIMN0( j ) + \n & vseas * ( Tile_Data%LAI0( j ) - Tile_Data%LAIMN0( j ) )\n MOS_Z0 ( :,:,j ) = znotc\n End Where\n Else If( is_agmos( j ) ) Then ! assume 50% natural and 50% crop\n MOS_VEG( :,:,j ) = ( Tile_Data%VEGMN0( j ) + \n & ( vseas + fseas ) / 2.0 * ( Tile_Data%VEG0( j ) - Tile_Data%VEGMN0( j ) ) )/100.\n MOS_LAI( :,:,j ) = Tile_Data%LAIMN0( j ) + \n & ( vseas + fseas ) / 2.0 * ( Tile_Data%LAI0( j ) - Tile_Data%LAIMN0( j ) )\n MOS_Z0 ( :,:,j ) = 0.5 * ( znotc + Tile_Data%Z00( j ) )\n End If\n sum_mos_lai = sum_mos_lai + MOS_LAI( :,:,j ) * Tile_Data%LUFRAC( :,:,j )\n sum_mos_veg = sum_mos_veg + MOS_VEG( :,:,j ) * Tile_Data%LUFRAC( :,:,j )\n End If\n End Do\nC Now normalize the data to the meteorological LAI and VEG\n Do j = 1, Tile_Data%n_lufrac \n If( .NOT. is_water( j ) .AND. maxval( Tile_Data%LUFRAC( :,:,j ) ) .Gt. 0.0 ) Then\n Where( sum_mos_lai .Gt. 0.0 .And. LAI .Gt. 0.0 .And. sum_mos_veg .Gt. 0.0 .And. VEG .Gt. 0.0 )\n MOS_LAI( :,:,j ) = MOS_LAI( :,:,j ) * LAI / sum_mos_lai\n MOS_VEG( :,:,j ) = MOS_VEG( :,:,j ) * VEG / sum_mos_veg\n End Where\n Where( MOS_LAI( :,:,j ) .Gt. 6.0 )\n MOS_LAI( :,:,j ) = 6.0\n End Where\n Where( MOS_VEG( :,:,j ) .Gt. 0.999 ) ! not VEG0(j) to support earlier versions of WRF and satellite Veg \n MOS_VEG( :,:,j ) = 0.999\n End Where\n Where( MOS_VEG( :,:,j ) .Eq. 0.0 .Or. MOS_LAI( :,:,j ) .Eq. 0.0 )\n MOS_LAI( :,:,j ) = 0.0\n MOS_VEG( :,:,j ) = 0.0\n End Where\n End If\n End Do \n\n Return\n\n End Subroutine Calc_LAI \n\nC*********************************************************************************************\nC RA_WRF based on PX LSM\nC*********************************************************************************************\n Subroutine RA_WRF( MOLI, ZH, RA, Z0, MOS_Z0, USTAR, MOS_USTAR,\n & MOS_RA, gamah, betah, karman ) \n\n Use LSM_Mod\n\n Implicit None\n\n Real, Intent( In ) :: gamah ! MOST coefficient for stability correction for unstable conditions [unitless]\n Real, Intent( In ) :: betah ! MOST coefficient for stability correction for stable conditions [unitless]\n Real, Intent( In ) :: karman ! von Karman constant [unitless]\n Real, Intent( In ) :: MOLI( :,: ) ! 1 over the Obukhov length [1/m]\n Real, Intent( In ) :: ZH( :,:,: ) ! mid-layer height above ground [m]\n Real, Intent( In ) :: RA( :,: ) ! grid aerodynamic resistance [s/m]\n Real, Intent( In ) :: Z0( :,: ) ! grid momentum roughness length [m]\n Real, Intent( In ) :: USTAR( :,: ) ! grid friction velocity [m/s]\n Real, Intent( InOut ) :: MOS_Z0( :,:,: ) ! land use momentum roughness length [m]\n Real, Intent( InOut ) :: MOS_USTAR( :,:,: ) ! land use friction velocity [m/s]\n Real, Intent( InOut ) :: MOS_RA( :,:,: ) ! land use aerodynamic resistance [s/m]\n\n Integer :: j\n Real, Parameter :: pr0 = 0.95 ! turbulent Prandtl number\n\nC local volatile variable\n Real, Pointer :: PSIH ( :,: ) ! Stability correction to the vertical wind profile\n\n lu_mean_ga = 0.0\n lu_mean_ustar = 0.0\nC Get surface flux variables\n Do j = 1, Tile_Data%n_lufrac\n Where( Tile_Data%LUFRAC( :,:,j ) .EQ. 1.0 .OR. ZH( :,:,1 ) .EQ. MOS_Z0( :,:,j ) )\n MOS_USTAR( :,:,j ) = USTAR\n MOS_Z0( :,:,j ) = Z0\n Elsewhere( Tile_Data%LUFRAC( :,:,j ) .Gt. 0.0 )\n MOS_USTAR( :,:,j ) = USTAR * SQRT( LOG( ZH( :,:,1 ) / Z0 )\n & / LOG( ZH( :,:,1 ) / MOS_Z0( :,:,j ) ) )\n End Where\n End Do \n\n PSIH => BUFF2D\n PSIH = 0.0\n Do j = 1,Tile_Data%n_lufrac\n Where( MOLI .Lt. 0.0 ) ! checked against PX\n PSIH = 2.0 * Log( ( Sqrt( 1.0 - gamah * ZH( :,:,1 ) * MOLI ) + 1.0 ) / \n & ( Sqrt( 1.0 - gamah * MOS_Z0( :,:,j ) * MOLI ) + 1.0 ) )\n Else Where ( ( ZH( :,:,1 ) - MOS_Z0( :,:,j ) ) * MOLI .Le. 1.0 )\n PSIH = -betah * ( ZH( :,:,1 ) - MOS_Z0( :,:,j ) ) * MOLI\n Else Where\n PSIH = 1.0 - betah - ( ZH( :,:,1 ) - MOS_Z0( :,:,j ) ) * MOLI\n End Where\n Where ( Tile_Data%LUFRAC( :,:,j ) .Eq. 1.0 ) \n MOS_RA( :,:,j ) = RA\n Elsewhere( Tile_Data%LUFRAC( :,:,j ) .Gt. 0.0 )\n MOS_RA( :,:,j ) = pr0 * ( Log( ZH( :,:,1 ) / MOS_Z0( :,:,j ) ) - PSIH ) / \n & ( karman * MOS_USTAR( :,:,j ) )\n End Where\n End Do\n Nullify( PSIH )\n! Normalization loops\n Do j = 1,Tile_Data%n_lufrac\n Where( Tile_Data%LUFRAC( :,:,j ) .Gt. 0.0 )\n lu_mean_ga = lu_mean_ga + Tile_Data%LUFRAC( :,:,j ) / MOS_RA( :,:,j )\n lu_mean_ustar = lu_mean_ustar + Tile_Data%LUFRAC( :,:,j ) * MOS_USTAR( :,:,j )\n End Where\n End Do\n Do j = 1,Tile_Data%n_lufrac\n Where( Tile_Data%LUFRAC( :,:,j ) .Gt. 0.0 )\n MOS_RA( :,:,j ) = RA * MOS_RA( :,:,j ) * lu_mean_ga\n MOS_USTAR( :,:,j ) = USTAR * MOS_USTAR( :,:,j ) / lu_mean_ustar\n End Where\n End Do \n \n Return\n End Subroutine RA_WRF\n\nC*********************************************************************************************\nC MOS_Rst\nC*********************************************************************************************\n Subroutine MOS_RSTW(MOS_LAI, RGRND, SOIM2, WWLT, WFC, TEMP2, MOS_RA, MOS_USTAR, \n & QSS_GRND, QV, RST, MOS_RST)\n\n Use LSM_Mod\n Use GRID_CONF ! horizontal & vertical domain specifications\n\n Implicit None\n\n Real, Intent( In ) :: MOS_LAI( :,:,: )\n Real, Intent( In ) :: RGRND( :,: )\n Real, Intent( In ) :: SOIM2( :,: )\n Real, Intent( In ) :: WWLT( :,: )\n Real, Intent( In ) :: WFC( :,: )\n Real, Intent( In ) :: TEMP2( :,: )\n Real, Intent( In ) :: MOS_RA( :,:,: )\n Real, Intent( In ) :: MOS_USTAR( :,:,: )\n Real, Intent( In ) :: QSS_GRND( :,: )\n Real, Intent( In ) :: QV( :,:,: )\n Real, Intent( In ) :: RST( :,: )\n Real, Intent( Out ) :: MOS_RST( :,:,: )\n\n Real :: f1, f1max, par ! radiation variables\n Real :: f2, w2avail, w2mxav ! soil moisture variables\n Real :: f3, gs, ga, raw ! humidity variables\n Real :: f4 ! temperature variables\n Real :: ftot, fshelt ! combined Jarvis variables\n Real :: lu_tot ! total land use where Rst is estiamted\n Real :: cor_fact ! correction factor to match met model RST\n Real, Parameter :: f3min = 0.25\n Real, Parameter :: ftmin = 0.0000001 ! m/s\n Real, Parameter :: rsmax = 5000.0 ! s/m\n Real :: max_mos_gst, mos_gst ! area weighted conductance\n Integer :: c, r, j ! loop induction variables\n \n DO c = 1, NCOLS\n DO r = 1, NROWS\n lu_tot = 0.0 \n If( f_land( c,r ) .Gt. 0.0 .And. RST( c,r ) .Ge. 1.0e30 ) Then\n!-SOIL MOISTURE\n w2avail = SOIM2( c,r ) - WWLT( c,r )\n w2mxav = WFC ( c,r ) - WWLT( c,r )\n f2 = 1.0 / ( 1.0 + EXP( -5.0 * ( w2avail / w2mxav -\n & ( w2mxav / 3.0 + WWLT( c,r ) ) ) ) ) ! according JP, 9/94\n!-AIR TEMP\n!... according to Avissar (1985) and AX 7/95\n IF ( TEMP2( c,r ) .LE. 302.15 ) THEN\n f4 = 1.0 / ( 1.0 + EXP( -0.41 * (TEMP2( c,r ) - 282.05 ) ) )\n ELSE\n f4 = 1.0 / ( 1.0 + EXP( 0.5 * (TEMP2( c,r ) - 314.0 ) ) )\n END IF\n!-RADIATION\n par = 0.45 * RGRND( c,r ) * 4.566\n DO j = 1, Tile_Data%n_lufrac\n IF ( Tile_Data%LUFRAC( c,r,j ) .GT. 0.0 .AND. MOS_LAI( c,r,j ) .LT. 0.00001 ) THEN\n MOS_RST( c,r,j ) = rsmax\n ELSE IF ( Tile_Data%LUFRAC( c,r,j ) .GT. 0.0 ) THEN\n IF ( Tile_Data%rsmin( j ) .GT. 130.0 ) THEN\n f1max = 1.0-0.02*MOS_LAI( c,r,j )\n ELSE\n f1max = 1.0-0.07*MOS_LAI( c,r,j )\n END IF\n f1 = f1max * ( 1.0 - exp( -0.0017 * par ) )\n f1 = amax1( f1, Tile_Data%rsmin( j ) / rsmax )\n ftot = MOS_LAI( c,r,j ) * f1 * f2 * f4\n ftot = MAX( ftot,ftmin )\n fshelt = 1.0 ! go back to NP89\n gs = ftot / ( Tile_Data%rsmin( j ) * fshelt )\n raw = MOS_RA( c,r,j ) + 4.503 / MOS_USTAR( c,r,j )\n ga = 1.0 / raw\n!-- Compute humidity effect according to RH at leaf surf\n f3 = 0.5 * ( gs - ga + SQRT( ga * ga + ga * gs\n & * ( 4.0 * QV( c,r,1 ) / QSS_GRND( c,r ) - 2.0 ) + gs * gs ) ) / gs\n f3 = MIN ( MAX( f3, f3min ), 1.0 )\n MOS_RST( c,r,j ) = 1.0 / ( gs * f3 )\n END IF\n END DO ! lufrac\n Else If( f_land( c,r ) .Gt. 0.0 ) Then\n! Simply weight Rst by land use Rst_min. The weighting must be done as a conductance following Ohm's law\n! as the deposition pathways are in parallel\n max_mos_gst = Sum( Tile_Data%LUFRAC( c,r,: ) / Tile_Data%rsmin)\n! Normalize to the mean meterological model grid cell value \n DO j = 1, Tile_Data%n_lufrac\n mos_gst = 1.0 / RST( c,r ) / ( max_mos_gst * Tile_Data%rsmin( j ) )\n MOS_RST( c,r,j ) = 1.0 / mos_gst \n If( MOS_RST( c,r,j ) * MOS_LAI( c,r,j ) .Lt. Tile_Data%rsmin( j ) .And. \n & MOS_LAI( c,r,j ) .Gt. 0.0 ) Then\n MOS_RST( c,r,j ) = Tile_Data%rsmin( j ) / MOS_LAI( c,r,j )\n Else If ( MOS_LAI( c,r,j ) .Eq. 0.0 ) Then\n! this does not impact results but reset the RST to the maximum value if there is no veg\n MOS_RST( c,r,j ) = 1.0e6\n End If\n End Do\n END IF ! LWMASK\n END DO ! rows\n END DO ! cols\n Return\n End Subroutine MOS_RSTW\n\nC*********************************************************************************************\nC MOS_CanWat\nC*********************************************************************************************\n Subroutine MOS_CanWat(MOS_VEG, MOS_LAI, WR, MOS_DELTA, WR_AVAIL, Q2, QSS_Grnd,\n & Rn, Rc, Wspd, Rgrnd, jdate, jtime)\n\n Use LSM_Mod\n Use GRID_CONF ! horizontal & vertical domain specifications\n Use UTILIO_DEFN\n\n Implicit None\n\n Real, Intent( In ) :: MOS_VEG( :,:,: )\n Real, Intent( In ) :: MOS_LAI( :,:,: )\n Real, Intent( In ) :: WR( :,: )\n Real, Intent( In ) :: Q2( :,: )\n Real, Intent( In ) :: QSS_Grnd( :,: )\n Real, Intent( In ) :: Rn( :,: )\n Real, Intent( In ) :: Rc( :,: )\n Real, Intent( In ) :: Wspd( :,: )\n Real, Intent( In ) :: Rgrnd( :,: )\n Logical, Intent( In ) :: WR_AVAIL\n Integer, Intent( In ) :: jdate\n Integer, Intent( In ) :: jtime\n Real, Intent( Out ) :: MOS_DELTA( :,:,: )\n\n Real :: rh_grnd\n Integer :: c,r,j ! loop induction variables\n Integer :: elapsedsec ! seconds from last precip\n\n IF ( .NOT. WR_AVAIL ) THEN ! approx canopy wetness - dew from Wesely\n ! canopy is wet if > trace precip. or moist with light winds\n DO r = 1, nrows\n DO c = 1, ncols\n rh_grnd = 100.0 * Q2( c,r ) / QSS_Grnd( c,r )\n rh_grnd = MIN( 100.0, rh_grnd )\n IF ( ( Rn( c,r ) + Rc( c,r ) .GT. 0.025 ) .OR.\n & ( (0.6 + Wspd( c,r ))*(100.0-rh_grnd) .LE. 19.0 ) ) THEN\n\n MOS_DELTA( c,r,: ) = 1.0\n lstwetdate( c,r ) = jdate\n lstwettime( c,r ) = jtime\n\n ELSE\n\n IF ( Rgrnd( c,r ) .GT. 5.0 ) THEN ! day (if at night, persist delta)\n\n ! Determine if canopy was recently wet.\n\n IF ( ( lstwetdate( c,r ) .GT. 0 ) .AND.\n & ( lstwettime( c,r ) .GT. 0 ) ) THEN ! canopy recently wet\n\n elapsedsec = secsdiff ( lstwetdate( c,r ),\n & lstwettime( c,r ),\n & jdate, jtime )\n\n IF ( ( elapsedsec .GT. 0 ) .AND. ! assume canopy stays\n & ( elapsedsec .LE. 7200 ) ) THEN ! wet for 2 h\n MOS_DELTA( c,r,: ) = 1.0\n ELSE IF ( ( elapsedsec .GT. 7200 ) .AND. ! ramp down DELTA\n & ( elapsedsec .LT. 10800 ) ) THEN ! between 2 & 3 h\n MOS_DELTA( c,r,: ) = ( 10800.0 - FLOAT( elapsedsec ) ) / 3600.0\n ELSE\n MOS_DELTA( c,r,: ) = 0.0\n lstwetdate( c,r ) = 0\n lstwettime( c,r ) = 0\n END IF\n END IF\n END IF\n END IF\n End Do ! col\n End Do ! row\n Where ( MOS_LAI .LE. 0.0 )\n MOS_DELTA = 0.0\n End Where\n Else\n DO j = 1, Tile_Data%n_lufrac\n Where ( ( WR .LE. 0.0 ) .or. ( MOS_LAI(:,:,j) .LE. 0.0 ) )\n MOS_DELTA( :,:,j ) = 0.0\n Elsewhere( Tile_Data%LUFRAC( :,:,j ) .Gt. 0.0 )\n MOS_DELTA( :,:,j ) = WR / ( 0.2e-3 * MOS_VEG(:,:,j) * MOS_LAI(:,:,j) ) ! refer to SiB model\n End Where\n End Do\n End If\n Where( MOS_DELTA .GT. 1.0 ) \n MOS_DELTA = 1.0\n ElseWhere( MOS_DELTA .LT. 0.0 ) \n MOS_DELTA = 0.0\n End Where \n\n Return\n End Subroutine MOS_CanWat\n \n End Module Mosaic_Mod\n" }, { "path": "CCTM/src/depv/stage/NH3_BIDI_MOD.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n!:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n Module NH3_Bidi_Mod\n\n! Contains the shared variables and subroutines needed for the bidirectional \n! NH3 flux model in CMAQ\n!\n! INIT_NH3_BiDi - Initializes the NH3 flux routines, allocates arrays, reads in\n! initial soil NH3 & H concentrations, and fertilizer application\n! amounts and timing for the model run\n! \n! Revision History: J. Bash Dec 08 10: Created\n! J. Bash May 11 11: Updated for CMAQ 5.0\n! J.Young Oct 26 11: KIND=16->KIND=8 for Portland Group compiler (pgi)\n! IsNaN function \" \" \" \"\n! (This Module must be compiled w/ -Kieee if pgi)\n! J. Bash Jan 31 12: New daily EPIC output now includes soil NH3 from \n! mineralization of organic and no longer includes \n! the monthly fertilizer totals. The initialization \n! of soil NH3 was rewritten to reflect this.\n! J. Bash Apr 19 12: Set bounds on the soil moisture from the met. model\n! to be between saturation and residual soil moisture\n! to avoid errors in the soil resistance from rounding\n! errors. Corrected a units conversion error in the \n! coupling of the soil NH4 to the atmospheric NH3.\n! This will maintain a better mass balance and have\n! a small impact on the model results ~ 1% of the\n! ambient NH3 concentrations.\n! J. Bash Apr 19 12: The apoplast compensation point for agricultural land use \n! is now a function of the soil ammonium concentration \n! following Massad et al. 2010 doi:10.5194/acp-10-10359-2010\n! J. Bash Aug 29 12: The subroutine was modified to utilize new EPIC output that \n! estimates the ammonium content of fertilizer applied to the \n! 1cm and 5cm soil layers. \n! D. Schwede Sept 12 12: Added code for NLCD40 land use classification\n! J. Bash Apr 4 13: Brought in new water, agriculture and snow land use \n! classification in LSM_MOD to simplify the case structures\nC J. Bash: Nov 7 14: Modified for the restructuring of vidff.\n! D. Wong: Feb 10 19: Implemented centralized I/O approach, removed all MY_N clauses\nC-------------------------------------------------------------------------------\n Use, intrinsic :: ieee_arithmetic, only: isnan => ieee_is_nan\n\n Implicit None\n! shared variables\n Real, Save, Allocatable :: frac_ir( :,: ) ! irrigated fraction of ag \n! Private variables used in this module and subroutines \n Real, Save, Private :: C_gam ! Canadian fertilizer facter \n Real, Parameter, Private :: maxgam = 2.0e5 ! maximum soil gamm. It is assumed that any excess NH4 would from salts\n! variables for STAGE bidi NH3\n Real, Save, Allocatable, Private :: frac_ag( :,: ) ! fraction of ag \n Real, Save, Allocatable, Private :: knit1 ( :,: ) ! EPIC Grid nitrificaiton rate\n Real, Save, Allocatable, Private :: knit2 ( :,: ) ! EPIC Grid nitrification rate\n Real, Save, Allocatable, Private :: NH4_G1 ( :,: ) ! EPIC Grid soil ammonium\n Real, Save, Allocatable, Private :: NH4_G2 ( :,: ) ! EPIC Grid soil ammonium\n Real, Save, Allocatable, Private :: BDs1 ( :,: ) ! mean ag soil bulk density kg/ha\n Real, Save, Allocatable, Private :: BDs2 ( :,: ) ! mean ag soil bulk density kg/ha\n Real, Save, Private :: wg ! Soil moisture for biogeochemical calcs\n Real, Save, Private :: zsoil ! Soil depth for biogeochemical calcs\n \n Contains \n\n!------------------------------------------------------------------------------\n! STAGE option NH3 bidi initialization\n!------------------------------------------------------------------------------\n\n Subroutine Init_NH3_Bidi( jdate, jtime)\n \n Use HGRD_DEFN ! horizontal grid specifications\n Use UTILIO_DEFN \n Use Bidi_Mod, Only: gamma1, gamma2, MHp1, MHp2\n Use ASX_DATA_MOD, Only: zsoil1, zsoil2, Grid_Data\n Use LSM_MOD\n Use depv_data_module\n Use centralized_io_module\n\n Implicit None \n! Includes\n Include SUBST_CONST ! constants\n Include SUBST_FILES_ID ! file name parameters\n\n! Local Variables\n\n Integer, Intent( In ) :: jdate\n Integer, Intent( In ) :: jtime \n Integer :: c,r,l,k\n Integer :: ALLOCSTAT\n Real, Parameter :: convl1 = 7.142857e-04 ! ha/m**2 * mol/g N * 1/z_soil_l1 \n Real, Parameter :: convl2 = 7.142857e-05 ! ha/m**2 * mol/g N * 1/z_soil_l2 \n Real :: pHfac1\n Real :: pHfac2\n! STAGE bidi variables\n Real, Allocatable :: L1_MIN ( :,:,: ) ! Epic Layer 1 organic N mineralization\n Real, Allocatable :: L2_MIN ( :,:,: ) ! Epic Layer 2 organic N mineralization \n Real, Allocatable :: C_knit1 ( :,:,: ) ! EPIC Crop nitrificaiton rate\n Real, Allocatable :: C_knit2 ( :,:,: ) ! EPIC Crop nitrification rate\n Real, Allocatable :: fagam1 ( :,: ) ! delta gamma due to fertilizer app and mineralization\n Real, Allocatable :: fagam2 ( :,: ) ! delta gamma due to fertilizer app and mineralization \n \n Character( 16 ), Parameter :: pname = 'Init_NH3_Bidi' \n Character( 96 ) :: xmsg = ' '\n\n! Find the Canadian fertilizer factor based off of Sheppard et al 2010 Canadian J. Soil Sci. & \n! Zhang et al. 2010 JGR \n Select Case( jdate )\n Case( 60:90 )\n C_gam = 811.5\n Case( 91:120 )\n C_gam = 3447.3\n Case( 121:151 )\n C_gam = 8702.8\n Case( 152:181 )\n C_gam = 1269.3\n Case( 182:212 )\n C_gam = 667.1\n Case( 213:243 )\n C_gam = 704.2\n Case( 244:273 )\n C_gam = 811.5\n Case( 274:304 )\n C_gam = 1376.7\n Case( 305:334 )\n C_gam = 1079.6\n Case Default\n C_gam = 630.0\n End Select \n \n Allocate( L1_MIN ( ncols,nrows,e2c_cats ),\n & L2_MIN ( ncols,nrows,e2c_cats ), \n & C_Knit1 ( ncols,nrows,e2c_cats ),\n & C_Knit2 ( ncols,nrows,e2c_cats ),\n & STAT = ALLOCSTAT )\n If ( ALLOCSTAT .Ne. 0 ) Then\n XMSG = 'Failure allocating EPIC vars'\n Call M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n End If\n L1_MIN = 0.0\n L2_MIN = 0.0\n C_Knit1 = 0.0\n C_Knit2 = 0.0\n\n Beld_ag = 0.01 * Beld_ag ! convert to fraction\n\n! Allocate variable needed soil processes and fertilization\n Allocate( fagam1 ( ncols,nrows ),\n & fagam2 ( ncols,nrows ), \n & MHp1 ( ncols,nrows ),\n & MHp2 ( ncols,nrows ),\n & BDs1 ( ncols,nrows ),\n & BDs2 ( ncols,nrows ),\n & Knit1 ( ncols,nrows ),\n & Knit2 ( ncols,nrows ),\n & NH4_G1 ( ncols,nrows ),\n & NH4_G2 ( ncols,nrows ),\n & frac_ir ( ncols,nrows ), \n & frac_ag ( ncols,nrows ), \n & STAT = ALLOCSTAT )\n If ( ALLOCSTAT .Ne. 0 ) Then\n XMSG = 'Failure allocating soil vars'\n Call M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n End If\n\n fagam1 = 0.0\n fagam2 = 0.0\n MHp1 = 0.0\n MHp2 = 0.0\n BDs1 = 0.0\n BDs2 = 0.0\n Knit1 = 0.0\n Knit2 = 0.0\n NH4_G1 = 0.0\n NH4_G2 = 0.0\n frac_ir = 0.0\n frac_ag = 0.0 \n\n! EPIC v1.4 does not always correctly write out m3badval in areas where there is no data. In these cases, \n! EPIC writes out large negative values which can cause issues with the bidirectional exchange numerics. \n! The following variables should always be positive and a floor of 0.0 is now set to mitigate numerical issues. \n Where( isnan( Nit1 ) ) Nit1 = 0.0\n Where( isnan( Nit2 ) ) Nit2 = 0.0\n Where( isnan( F1_NH4 ) ) F1_NH4 = 0.0\n Where( isnan( F2_NH4 ) ) F2_NH4 = 0.0\n Where( isnan( NH4ps1 ) ) NH4ps1 = 0.0\n Where( isnan( NH4ps2 ) ) NH4ps2 = 0.0\n Where( isnan( pHs1 ) ) pHs1 = 0.0\n Where( isnan( pHs2 ) ) pHs2 = 0.0\n Where( Nit1 .Lt. 0.0 ) Nit1 = 0.0\n Where( Nit2 .Lt. 0.0 ) Nit2 = 0.0\n Where( F1_NH4 .Lt. 0.0 ) F1_NH4 = 0.0\n Where( F2_NH4 .Lt. 0.0 ) F2_NH4 = 0.0\n Where( NH4ps1 .Lt. 0.0 ) NH4ps1 = 0.0\n Where( NH4ps2 .Lt. 0.0 ) NH4ps2 = 0.0\n\n! get fertilizer from the previous month to estimate soil NH4+ \n! time in the files is not the same\n If ( .Not. MEDC_AVAIL ) Then\n Write(Logdev,*) 'Estimating soil NHx from EPIC output'\n gamma1 = 0.0\n gamma2 = 0.0\n\n If ( .Not. E2C_CHEM_AVAIL ) Then\n xmsg = E2C_CHEM // ' file not available'\n Call M3exit ( pname, jdate, jtime, xmsg, xstat1 )\n End If\n\n If( GMN_AVAIL ) Then\n! NH4 from organic N mineralization is not layer specific in Fest-C v1.4 therefore it is allocated proportionally\n! to the organic N from which it was mineralized.\n Where( GMN .Gt. 0.0 .And. L1_ON .Gt. 0.0 )\n L1_MIN = GMN * L1_ON / ( L1_ON + L2_ON )\n End Where\n Where( GMN .Gt. 0.0 .And. L2_ON .Gt. 0.0 )\n L2_MIN = GMN * L2_ON / ( L1_ON + L2_ON )\n End Where\n\n End iF\n! EPIC data as simulated in FEST-C 1.3 is for the end of the day. Here we \n! want to get the values at the beginning of the day.\n! EPIC ammonia evasion is estimated as 5% of nitrification. We add the \n! evaded ammonia and nitrification back to the soil NH3 to account for losses.\n F1_NH4 = Nit1 / 0.95 + L1_MIN\n F2_NH4 = Nit2 / 0.95 + L2_MIN\n! Calculate grid cell values from the EPIC crop specific data \n frac_ag = sum(Beld_ag,DIM=3)\n Do l = 1, e2c_cats\n Where( pHs1(:,:,l) .Gt. 4.0 .And. pHs1(:,:,l) .Lt. 9.0 .And. Beld_ag(:,:,l) .Gt. 0.0 )\n MHp1 = MHp1 + Beld_ag(:,:,l) * 10.0 ** (-pHs1(:,:,l) )\n MHp2 = MHp2 + Beld_ag(:,:,l) * 10.0 ** (-pHs2(:,:,l) )\n BDs1 = BDs1 + Beld_ag(:,:,l) * BDc1(:,:,l)\n BDs2 = BDs2 + Beld_ag(:,:,l) * BDc2(:,:,l)\n Knit1 = Knit1 + Beld_ag(:,:,l) * Nit1(:,:,l)\n Knit2 = Knit2 + Beld_ag(:,:,l) * Nit2(:,:,l)\n NH4_G1 = NH4_G1 + Beld_ag(:,:,l) * NH4ps1(:,:,l)\n NH4_G2 = NH4_G2 + Beld_ag(:,:,l) * NH4ps2(:,:,l)\n gamma1 = gamma1 + convl1 * NH4ps1(:,:,l) / 10.0 ** (-pHs1(:,:,l) ) * Beld_ag(:,:,l)\n gamma2 = gamma2 + convl2 * NH4ps2(:,:,l) / 10.0 ** (-pHs2(:,:,l) ) * Beld_ag(:,:,l)\n fagam1 = fagam1 + convl1 * F1_NH4(:,:,l) / 10.0 ** (-pHs1(:,:,l) ) * Beld_ag(:,:,l)\n fagam2 = fagam2 + convl2 * F2_NH4(:,:,l) / 10.0 ** (-pHs2(:,:,l) ) * Beld_ag(:,:,l)\n End Where\n If ( Index( Beld_Names( l ), '_ir' ) .Gt. 0 ) Then\n frac_ir = frac_ir + Beld_ag( :,:,l )\n End If \n End Do\n Where( frac_ag .gt. 0.0 )\n MHp1 = MHp1 / frac_ag\n MHp2 = MHp2 / frac_ag\n gamma1 = max(( gamma1 + fagam1 ) / frac_ag, 630.0 )\n gamma2 = max(( gamma2 + fagam2 ) / frac_ag, 630.0 )\n BDs1 = BDs1 / frac_ag\n BDs2 = BDs2 / frac_ag\n frac_ir = frac_ir / frac_ag\n End Where\n! Eliminate unrealistically low bulk density \n Where( BDs1 .Lt. 1.0 ) BDs1 = 1.6\n Where( BDs2 .Lt. 1.0 ) BDs2 = 1.6\n! prevent missmatched data between soil and daily files\n Where( MHp1 .Eq. 0.0 .Or. MHp2 .Eq. 0.0 )\n gamma1 = 0.0\n gamma2 = 0.0 \n End Where\n\n Where( NH4_G1 .Gt. 0.0 )\n Knit1 = min(-log(NH4_G1 / (NH4_G1 + Knit1)),-log(0.5))\n Elsewhere\n Knit1 = 0.0\n End Where\n Where( NH4_G2 .Gt. 0.0 )\n Knit2 = min(-log(NH4_G2 / (NH4_G2 + Knit2)),-log(0.5))\n Elsewhere\n Knit2 = 0.0\n End Where\n\n Else ! read\n\n If( GMN_AVAIL ) Then\n! NH4 from organic N mineralization is not layer specific in Fest-C v1.4 therefore it is allocated proportionally\n! to the organic N from which it was mineralized.\n Where( GMN .Gt. 0.0 .And. L1_ON .Gt. 0.0 .And. L2_ON .Gt. 0.0 )\n L1_MIN = GMN * L1_ON / ( L1_ON + L2_ON )\n L2_MIN = GMN * L2_ON / ( L1_ON + L2_ON )\n End Where\n\n Else\n! The organic soil change from the previous day is equal to the fertilization - mineralization \n! Here we read in the previous days concentration to calculate the mineralization and add it to the NH4 pool.\n! In EPIC run for CMAQ organic N mineralized goes to the NH4 pool and if mineralization is negative it is \n! taken from the soil NO3 pool. A cap was placed on the maximum mineralization based on the 0.999 percentile \n! from multiple years of EPIC simulations. \n L1_MIN = L1_ON_Yest - L1_ON - F1_ON\n L2_MIN = L2_ON_Yest - L2_ON - F2_ON\n Where( L1_MIN .Lt. 0.0 )\n L1_MIN = 0.0\n Else Where( L1_MIN .Gt. 0.3 )\n L1_MIN = 0.3\n End Where\n Where( L2_MIN .Lt. 0.0 )\n L2_MIN = 0.0\n Else Where( L2_MIN .Gt. 0.3 )\n L2_MIN = 0.3\n End Where\n End If\n F1_NH4 = F1_NH4 + L1_MIN\n F2_NH4 = F2_NH4 + L2_MIN\n! Calculate grid cell values from the EPIC crop specific data \n frac_ag = sum(Beld_ag,DIM=3)\n Do l = 1, e2c_cats\n Where( pHs1(:,:,l) .Gt. 4.0 .And. pHs1(:,:,l) .Lt. 9.0 .And. Beld_ag(:,:,l) .Gt. 0.0 )\n MHp1 = MHp1 + Beld_ag(:,:,l) * 10.0 ** (-pHs1(:,:,l) )\n MHp2 = MHp2 + Beld_ag(:,:,l) * 10.0 ** (-pHs2(:,:,l) )\n BDs1 = BDs1 + Beld_ag(:,:,l) * BDc1(:,:,l)\n BDs2 = BDs2 + Beld_ag(:,:,l) * BDc2(:,:,l)\n Knit1 = Knit1 + Beld_ag(:,:,l) * Nit1(:,:,l)\n Knit2 = Knit2 + Beld_ag(:,:,l) * Nit2(:,:,l)\n NH4_G1 = NH4_G1 + Beld_ag(:,:,l) * NH4ps1(:,:,l)\n NH4_G2 = NH4_G2 + Beld_ag(:,:,l) * NH4ps2(:,:,l)\n fagam1 = fagam1 + convl1 * F1_NH4(:,:,l) / 10.0 ** (-pHs1(:,:,l) ) * Beld_ag(:,:,l)\n fagam2 = fagam2 + convl2 * F2_NH4(:,:,l) / 10.0 ** (-pHs2(:,:,l) ) * Beld_ag(:,:,l)\n End Where\n If ( Index( Beld_Names( l ), '_ir' ) .Gt. 0 ) Then\n frac_ir = frac_ir + Beld_ag( :,:,l )\n End If \n End Do\n\n Where( frac_ag .gt. 0.0 )\n MHp1 = MHp1 / frac_ag\n MHp2 = MHp2 / frac_ag\n gamma1 = max( gamma1 + fagam1 / frac_ag, 630.0 )\n gamma2 = max( gamma2 + fagam2 / frac_ag, 630.0 )\n BDs1 = BDs1 / frac_ag\n BDs2 = BDs2 / frac_ag\n frac_ir = frac_ir / frac_ag\n End Where\n\n! Eliminate unrealistically low bulk density \n Where( BDs1 .Lt. 1.0 ) BDs1 = 1.6\n Where( BDs2 .Lt. 1.0 ) BDs2 = 1.6\n! prevent missmatched data between soil and daily files\n Where( MHp1 .Eq. 0.0 .Or. MHp2 .Eq. 0.0 )\n gamma1 = 0.0\n gamma2 = 0.0 \n End Where\n\n Where( NH4_G1 .Gt. 0.0 )\n Knit1 = min(-log(NH4_G1 / (NH4_G1 + Knit1)),-log(0.5))\n Elsewhere\n Knit1 = 0.0\n End Where\n Where( NH4_G2 .Gt. 0.0 )\n Knit2 = min(-log(NH4_G2 / (NH4_G2 + Knit2)),-log(0.5))\n Elsewhere\n Knit2 = 0.0\n End Where\n\n End If ! INIT_MEDC_1\n \n Return\n!------------------------------------------------------------------------------\n! Error handling section\n!------------------------------------------------------------------------------\n1001 Continue\n Call M3exit( pname, jdate, jtime, xmsg, xstat1 )\n\nC-------------------------------------------------------------------------------\nC Format statements.\nC-------------------------------------------------------------------------------\n\n9001 Format( 'Failure reading ', a, 1x, 'from ', a )\n\n Return\n \n End Subroutine Init_NH3_Bidi\n \n!------------------------------------------------------------------------------\n! Subroutine to get the soil and canopy compensation point for STAGE\n!------------------------------------------------------------------------------ \n Subroutine Get_NH3_Comp( NH3_st, NH3_ll, NH3_g, diff, r, c, l, l_ag )\n \n Use UTILIO_DEFN\n Use Bidi_Mod, Only: gamma1, gamma2, MHp1, MHp2\n Use ASX_DATA_MOD\n Use LSM_MOD\n Use MOSAIC_MOD, Only: Tile_Data \n \n Implicit None\n \n Include SUBST_FILES_ID ! file name parameters\n\n Integer, Intent( IN ) :: r, c, l ! Row, Column, Land use indices\n Integer, Intent( IN ) :: l_ag ! Ag index \n Real, Intent( IN ) :: diff ! NH3 diffusion in air m2/s\n Real, Intent( OUT ) :: NH3_st ! Stomatal Compensation point\n Real, Intent( OUT ) :: NH3_ll ! Leaf litter/under canopy Compensation point\n Real, Intent( OUT ) :: NH3_g ! Soil Compensation point\n \n Real :: cnh3g1, cnh3g2 ! NH3 compensation concentration for ground [ppm]\n Real :: cnh3ll1 ! NH3 compensation concentration for ground [ppm]\n Real :: mNH4 ! Soil total NH4+ mg N / Kg\n Real :: Ka ! NH4 acid dissociation constant\n Real :: coef_a ! intermediate variable to solve for soil solution NHx\n Real :: coef_b ! intermediate variable to solve for soil solution NHx\n Real :: coef_c ! intermediate variable to solve for soil solution NHx\n Real :: NH4_sol ! NH4+ in soil water solution mg N / kg\n Real :: NH3_sol ! NH3 in soil water solution mg N / kg\n Real :: NH3_gam_ll ! Under canopy leaf litter molar emission potential [NH3]/[H+]\n Real :: frac_sol ! Fraction of NHx in solution\n Real :: ldry1\n Real :: ldry2\n Real :: ldry_max\n Real( 8 ) :: dp\n Real( 8 ) :: rsoil1\n Real( 8 ) :: rsoil2\n Real( 8 ) :: a1\n Real, Parameter :: twothree = 2.0/3.0\n Real, Parameter :: onethree = 1.0/3.0\n Real, Parameter :: MolN = 14.007 ! g/mol N \n Real :: wg_ir ! 1 cm soil moisture \n Real :: w5cm, cg ! soil moisture in top 5 cm (vol frc)\n\n Integer :: j\n! Point were soil solution NH4 equals half the maximum sorption capacity Alnosour 2020 Bi-directional exchange of\n! ammonia from soils in row crop agro-ecosystems. Dissertation. North Carolina State University \n! http://www.lib.ncsu.edu/resolver/1840.20/37245\n Real, Parameter :: half_sol = 124.0 ! update from NC State Alnosour Thesis\n! Maximum NH4 soil sorption capacity \n Real, Parameter :: max_sorp = 426.0 ! update from NC State Alnosour Thesis \n Real, Parameter :: NH3_gam_soil = 20.0 ! bare soil water solution emission potetnial [NH3]/[H+]\n \n If( PX_LSM ) Then\n! simplified from Darcy's law assuming stationarity and only gravitational draining with the Campbell hydrological functions applied\n! 0.4 is the difference in the layer depths of 1cm and 5 cm\n w5cm = MET_DATA%SOIM1( c,r ) * exp( 0.04 * GRAV )**(1.0/GRID_DATA%BSLP( c,r ))\n w5cm = Min( w5cm, GRID_DATA%WSAT( c,r ) )\n w5cm = Max( w5cm, GRID_DATA%WRES( c,r ) )\n Else If( CLM_LSM .OR. NOAH_LSM ) Then\n w5cm = MET_DATA%SOIM2( c,r )\n w5cm = Min( w5cm, GRID_DATA%WSAT( c,r ) )\n w5cm = Max( w5cm, GRID_DATA%WRES( c,r ) )\n End If\n\n! Updated based on EPIC 5cm soil moisture estimates where the 25% percentile of the irrigated crop fractional soil moisture was \n! approximately equal approximately equal to 60% of the field capacity. \n If ( frac_ir( c,r ) .Gt. 0.0 .And. MET_DATA%SOIM2( c,r ) .LE. 0.60 * GRID_DATA%WFC( c,r ) ) Then \n wg_ir = ( 1.0 - frac_ir( c,r ) ) * MET_DATA%SOIM1( c,r ) + frac_ir( c,r ) * 0.60 * GRID_DATA%WFC( c,r )\n w5cm = ( 1.0 - frac_ir( c,r ) ) * w5cm + frac_ir( c,r ) * 0.60 * GRID_DATA%WFC( c,r )\n Else\n wg_ir = MET_DATA%SOIM1( c,r )\n End If\n \n wg_ir = Min( wg_ir,GRID_DATA%WSAT( c,r ) )\n wg_ir = Max( wg_ir,GRID_DATA%WRES( c,r ) )\n\n! The following resistance parameterization is derived from measurements with soil samples of 2 cm thick (Kondo et al 1990)\n! https://doi.org/10.1175/1520-0450(1990)029<0385:APOEFB>2.0.CO;2 as discussed in Sakaguchi and Zeng 2009 JGR \n! https://doi.org/10.1029/2008JD010834 According to Swenson and Lawrence 2014 (https://doi.org/10.1002/2014JD022314) and the \n! references therin the dry layer thickness varies from 1 to 3 cm. \n ldry_max = 0.02\n! From Sakaguchi and Zeng 2009 JGR Equation 10\n ldry1 = ldry_max * ( Exp( ( 1.0 - wg_ir / GRID_DATA%WSAT( c,r ) ) ** 5 ) - 1.0 ) / 1.718\n\n!> Compute compensation point. gamma is specified according to the amount of \n!> cultivated vegetation \n a1 = 161512.0d0 / real( MET_DATA%SoiT1( c,r ), 8 )\n & * 10.0d0 ** ( -4507.11d0 / real( MET_DATA%SoiT1( c,r ), 8 ) )\n a1 = a1 * 24.5d0 * 1.0d6 ! ppm\n NH3_st = a1 * Tile_Data%NH3_gam_st( l )\n NH3_gam_ll = Tile_Data%NH3_gam_grnd( l ) \n \n!> Set a maximum [NH4]/[H+] ratio at 200,000 based on output from the AIM aerosol\n!> model any [NH4] in excess of this ratio is assumed to partition into the solid\n!> phase. Canada soil gamma taken from Zhang et al 2010 JGR Table 5\n cnh3ll1 = 0.0\n If( l .Eq. l_ag ) Then\n! Use the soil ammonium sorption model of Venteria et al. Sci. Rep. doi:10.1038/srep12153 to estimate the NHx \n! available for volatilization \n If( gamma1( c,r ) .eq. 0.0 ) Then \n cg = wg_ir/1.6 ! L water / kg soil\n mNH4 = C_gam*1.0e-7/1.6*MolN*1.0e3 ! assume a bulk density of 1.6 kg/l untill Canadian data is available\n Ka = 5.68853e-10*exp(-6248.151*(1.0/MET_DATA%SoiT1( c,r )-1.0/298.15))\n coef_a = cg * (1.0+Ka/1.0e-7) ! assume a pH of 7\n coef_b = max_sorp+cg * half_sol * (1.0+Ka/1.0e-7) - mNH4\n coef_c = -half_sol * mNH4\n NH4_sol = (-coef_b+sqrt(coef_b**2.0-4.0*coef_a*coef_c))/(2.0*coef_a)\n NH3_sol = NH4_sol*Ka/1.0e-7 ! mg N/l\n cnh3g1 = (NH4_sol+NH3_sol)*1.0e-3/MolN/1.0e-7\n cnh3ll1 = cnh3g1\n Else\n cg = wg_ir/BDs1( c,r ) ! L water / kg soil\n mNH4 = gamma1( c,r )*MHp1( c,r )/BDs1( c,r )*MolN*1.0e3\n Ka = 5.68853e-10*exp(-6248.151*(1.0/MET_DATA%SoiT1( c,r )-1.0/298.15))\n coef_a = cg*(1.0+Ka/MHp1( c,r ))\n coef_b = max_sorp+cg*half_sol*(1.0+Ka/MHp1(c,r)) - mNH4\n coef_c = -half_sol*mNH4\n NH4_sol = (-coef_b+sqrt(coef_b**2.0-4.0*coef_a*coef_c))/(2.0*coef_a)\n NH3_sol = NH4_sol*Ka/MHp1( c,r ) ! mg N/l\n cnh3g1 = (NH4_sol+NH3_sol)*1.0e-3/MolN/MHp1( c,r )\n cnh3ll1 = cnh3g1\n End If\n If( gamma2( c,r ) .eq. 0.0 ) Then \n cg = w5cm/1.6 ! L water / kg soil\n mNH4 = C_gam*1.0e-7/1.6*MolN*1.0e3 ! assume a bulk density of 1.6 kg/l untill Canadian data is available\n Ka = 5.68853e-10*exp(-6248.151*(1.0/MET_DATA%SoiT1( c,r )-1.0/298.15))\n coef_a = cg*(1.0+Ka/1.0e-7)\n coef_b = max_sorp+cg*half_sol*(1.0+Ka/1.0e-7) - mNH4\n coef_c = -half_sol*mNH4\n NH4_sol = (-coef_b+sqrt(coef_b**2.0-4.0*coef_a*coef_c))/(2.0*coef_a)\n NH3_sol = NH4_sol*Ka/1.0e-7 ! mg N/l\n cnh3g2 = (NH4_sol+NH3_sol)*1.0e-3/MolN/1.0e-7!/wg_ir\n NH3_st = Max( NH3_st, Real( a1 ) *( C_gam * 1.0e-7\n & * w5cm * MolN * zsoil2 * 1.0e4 * 12.3 + 20.3 ) )\n Else \n cg = w5cm/BDs2( c,r ) ! L water / kg soil\n mNH4 = gamma2( c,r )*MHp2( c,r )/BDs2( c,r )*MolN*1.0e3\n Ka = 5.68853e-10*exp(-6248.151*(1.0/MET_DATA%SoiT1( c,r )-1.0/298.15))\n coef_a = cg*(1.0+Ka/MHp2( c,r ))\n coef_b = max_sorp+cg*half_sol*(1.0+Ka/MHp2(c,r)) - mNH4\n coef_c = -half_sol*mNH4\n NH4_sol = (-coef_b+sqrt(coef_b**2.0-4.0*coef_a*coef_c))/(2.0*coef_a)\n NH3_sol = NH4_sol*Ka/MHp2( c,r ) ! mg N/l\n cnh3g2 = (NH4_sol+NH3_sol)*1.0e-3/MolN/MHp2( c,r )\n NH3_st = Max( NH3_st, Real( a1 ) * ( gamma2(c,r) * 1.0e-7\n & * w5cm * MolN * zsoil2 * 1.0e4 * 12.3 + 20.3 ) )\n End If\n Else \n cnh3ll1 = Min( NH3_gam_ll / wg_ir, maxgam )\n cnh3g1 = Min( NH3_gam_soil / wg_ir, maxgam )\n cnh3g2 = Min( NH3_gam_soil / w5cm, maxgam ) ! if the leaf litter is too dry use the soil value\n End If\n cnh3ll1 = a1 * Max( cnh3ll1, 0.01 )\n cnh3g1 = a1 * Max( cnh3g1, 0.01 )\n cnh3g2 = a1 * Max( cnh3g2, 0.01 )\n\n If( ldry1 .Le. zsoil1 ) Then\n NH3_g = cnh3g1\n NH3_ll = cnh3ll1\n wg = wg_ir\n zsoil = zsoil1\n Else\n NH3_g = cnh3g2\n NH3_ll = cnh3g2\n wg = w5cm\n zsoil = zsoil2\n End If\n Return \n End Subroutine Get_NH3_Comp\n!------------------------------------------------------------------------------\n! Subroutine to update the soil ammonia and pH due to evasion, deposition, \n! nitrification, leaching, and run off\n! Soil ammonium, pH, leaching, and run off are defined in the module\n!------------------------------------------------------------------------------\n Subroutine Calc_Nitrif ( dt, C, R, l_ag, flux_ag )\n \n Use UTILIO_DEFN\n Use ASX_DATA_MOD\n Use Bidi_Mod, Only: gamma1, gamma2, MHp1, MHp2\n Use LSM_MOD\n Use MOSAIC_MOD, Only: Tile_Data \n \n Implicit None \n \n Real, Intent( IN ) :: dt ! time step in s\n Integer, Intent( IN ) :: C ! Column\n Integer, Intent( IN ) :: R ! Row\n Integer, Intent( IN ) :: L_ag ! LU Agricuture index\n Real, Intent( IN ) :: flux_ag ! ag emissions ppm*m/s\n\n Real :: Kn ! nitrification rate 1/s\n Real :: Knit ! EPIC combined nitrification rate\n Real :: kn_max ! EPIC maximum nitrification rate\n Real :: Kvs ! Air-soil exchange rate for aqueous NH4+\n Real :: MNHx ! molar soil water NH4+ + NH3 conc.\n Real :: pHsl ! Soil pH\n Real :: T_Soil ! Soil T\n Real :: NH3_flux ! mol/l/s emissions are positive\n Real :: MHp ! molar H concentration\n Real :: gam ! updated land use specific gamma\n Real :: MV_air ! Molar volume of air L/mol\n\n CHARACTER( 96 ) :: xmsg = ' '\n Character( 16 ), Parameter :: pname = 'Calc_Nitrif' \n\n! get the correct soil temp\n If(zsoil .Eq. zsoil1 ) Then\n T_Soil = MET_DATA%SoiT1( C,R )\n gam = max( gamma1( C,R ), 630.0 )\n MHp = MHp1( C,R ) \n Knit = Knit1( C,R )\n gamma2( C,R ) = gamma2( C,R ) * exp( -Knit2( c,r ) * dt )\n Else\n T_Soil = MET_DATA%SoiT2( C,R )\n gam = max( gamma2( C,R ), 630.0 )\n MHp = MHp2( C,R ) \n Knit = Knit2( C,R ) \n gamma1( C,R ) = gamma1( C,R ) * exp( -Knit1( c,r ) * dt ) \n End If\n\n! if MHp = 0.0 then there is no EPIC data for the grid cell or is not agricultural\n If( MHp .Eq. 0.0 .Or. frac_ag( C,R ) .Lt. 1.0e-3 ) Return\n! Note that the kg to g and m3 to L units cancel \n MV_air = MWAIR / MET_DATA%DENS1( C,R )\n! convert deposition from ppmv m/s to mol/l/s\n NH3_flux = flux_ag * 1.0e-6 / MV_air / zsoil\n! Get the soil pH\n pHsl = -log10( MHp )\n\n! get NH4+ from gamma ([NH4+]/[H+] with units in mol/l)\n MNHx = gam * MHp\n! Estimate the soil evasion rate assuming that the flux = MNHx*(1-exp(-kvs*dt)) where dt = 1 s and the flux is negative for deposition to the\n! soil and positive for evasion from the soil. \n If( NH3_flux .lt. 0.0 ) Then\n Kvs = 0.0\n! In epic the nitrification and evasion rates are added in a combined nitrification/evasion rate. \n! Then the emissions are assumed to be 5% of the total combined loss. Here we calcuate the nitrification/evasion rate as in EPIC and then the\n! maximum rate is adjusted for the EPIC evasion because we will calculate the evasion seperately and add the rate to \n! EPIC nitrification. \n! EPIC estimates a combined evasion and nitrification rate with a maximum user specified rate. Here we subtract the CMAQ evasion rate from the \n! EPIC nitrification rate to ensure that the maximum rate is retained. \n Kn = Knit/24.0/3600.0 \n If ( Frac_ag( c,r ) .Gt. 0.0 ) Then \n If ( Kn .Gt. 0.0 ) Then\n MNHx = -NH3_flux / Kn + ( MNHx + NH3_flux / Kn ) * exp( -Kn * dt )\n End If\n gam = MNHx / MHp \n Else\n gam = Tile_Data%NH3_gam_grnd( L_Ag )\n End If\n Else ! evasion\n Kvs = -log(1.0-NH3_flux/MNHx)\n! In epic the nitrification and evasion rates are added in a combined nitrification/evasion rate. \n! Then the emissions are assumed to be 5% of the total combined loss. Here we calcuate the nitrification/evasion rate as in EPIC and then the\n! maximum rate is adjusted for the EPIC evasion because we will calculate the evasion seperately and add the rate to \n! EPIC nitrification. \n Kn = Knit/24.0/3600.0 + Kvs \n If ( Frac_ag( c,r ) .Gt. 0.0 ) Then \n If ( Kn .Gt. 0.0 ) Then\n MNHx = MNHx * exp( -Kn * dt )\n End If\n gam = MNHx / MHp \n Else\n gam = Tile_Data%NH3_gam_grnd( L_Ag )\n End If\n End If\n! Update soil concentrations\n If(zsoil .Eq. zsoil1 ) Then\n gamma1( C,R ) = gam \n Else\n gamma2( C,R ) = gam\n End If\n\n If ( isnan( gam ) ) Then\n xmsg = 'NaN in Gamma Calculation'\n Write( logdev,* ) 'MNHx :', MNHx\n Write( logdev,* ) 'gam :', gam\n Write( logdev,* ) 'MHp :', MHp\n Write( logdev,* ) 'wg :', wg\n Write( logdev,* ) 'wres :', GRID_DATA%WRES( c,r )\n Write( logdev,* ) 'wsat :', GRID_DATA%WSAT( c,r )\n Write( logdev,* ) 'wfc :', GRID_DATA%WFC( c,r )\n Write( logdev,* ) 'wwlt :', GRID_DATA%WWLT( c,r )\n Write( logdev,* ) 'kvs :', kvs\n Write( logdev,* ) 'kn :', kn\n Write( logdev,* ) 'zsoil :', zsoil\n Write( logdev,* ) 'frac_ag:', frac_ag( c,r )\n Call M3exit( pname, 0, 0, xmsg, xstat1)\n End If\n\n Return\n End Subroutine Calc_Nitrif\n\n End Module NH3_Bidi_Mod\n" }, { "path": "CCTM/src/depv/stage/STAGE_DATA.F", "content": "!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n Module STAGE_DATA\nC-----------------------------------------------------------------------\nC Function: User-defined types\n\nC Revision History:\nC 26 June 2014 J.Bash: initial implementation\n\n Implicit None\n\n Real, Parameter, Private :: pr = 0.709 ! [dim'less]\n Real, Parameter, Private :: twothirds = 2.0 / 3.0\n \n INTEGER, Save :: dep_gas_all \n Character( 16 ), Allocatable, Save :: vd_name ( : ) ! Deposition species name\n Real, Allocatable, Save :: rel_rx ( : ) ! reactivity relative to HNO3\n Real, Allocatable, Save :: LeBasM ( : ) ! Le Bas molar volume [cm3/mol ]\n Real, Allocatable, Save :: f0 ( : ) ! Exception for species that\n Real, Allocatable, Save :: M_ac ( : ) ! Mass accommodation Coeff\n Real, Allocatable, Save :: molwt_all ( : ) ! Molar Weight from the namelist\n CHARACTER( 16 ), Allocatable, SAVE :: H_name_all ( : ) ! Henry's constant name for all species \n LOGICAL, Allocatable, SAVE :: USE_DEPSPC ( : )\n Logical, Allocatable, Save :: asx_run_map ( : )\n\n INTEGER, SAVE :: N_USE_DEPSPC ! number of gas species used in this simulation \n CHARACTER( 16 ), Parameter :: DEPV_METHOD = 'STAGE'\n\n Contains\n SUBROUTINE Map_STAGE( N_DEPV_NAMES, DEPV_NAMES, DEPV_SUR ) \n\n USE CGRID_SPCS ! CGRID mechanism species\n USE UTILIO_DEFN \n USE RUNTIME_VARS, ONLY: STAGECTRL, LOGDEV!, log_message, log_subheading\n\n IMPLICIT NONE\n\n INTEGER, INTENT( IN ) :: N_DEPV_NAMES ! number of unique dep vel species\n CHARACTER( 16 ), INTENT( INOUT ) :: DEPV_NAMES( : ) ! names of dep vel species\n INTEGER, INTENT( OUT ) :: DEPV_SUR( : ) ! pointers to model species for\n ! calculated deposition velocities\n ! (surrogate dep vels [m/s**2])\n\n Integer :: c, r, l, n, s, v\n INTEGER :: STRT, FINI\n Integer :: ALLOCSTAT\n INTEGER :: DEPCTRL_NML\n INTEGER :: STAT\n CHARACTER( 16 ), ALLOCATABLE :: gc_depv_name( : )\n CHARACTER( 16 ) :: VNAME ! scratch string\n CHARACTER( 16 ) :: PNAME = 'Map_STAGE'\n CHARACTER( 120 ) :: XMSG = ' '\n Logical :: n_xref_end\n\n Integer, Parameter :: n_max_depv = 300\n\n Type :: Chem_Data_Type\n Character( 16 ) :: vd_name \n Real :: rel_rx ! reactivity relative to HNO3\n Real :: f0 ! Exception for species that\n Real :: LeBasM ! Le Bas molar volume [cm3/mol ]\n Real :: M_ac ! Mass accommodation Coeff \n End Type Chem_Data_Type \n \n Type( Chem_Data_Type ) :: STAGE_CHEM_DATA( n_max_depv )\n\n NAMELIST / STAGE_DATA / STAGE_CHEM_DATA\n\n STAGE_CHEM_DATA%vd_name = 'N/A'\n STAGE_CHEM_DATA%rel_rx = 0.0\n STAGE_CHEM_DATA%f0 = 0.0\n STAGE_CHEM_DATA%LeBasM = 0.0\n STAGE_CHEM_DATA%M_ac = 0.0\n\n ! Retrieve the Name of the Deposition Control File\n IF ( STAGECTRL .EQ. \"STAGECTRL_NML\" ) THEN\n WRITE( LOGDEV, \"(5x,A,/,5x,A,/,5x,A)\"),\n & 'You have chosen not to indicate the location of an',\n & 'STAGE deposition Control namelist file. Default ',\n & 'settings will be assumed.'\n RETURN\n END IF\n\n ! Open Deposition Control Namelist File\n DEPCTRL_NML = JUNIT()\n OPEN( FILE = STAGECTRL, UNIT = DEPCTRL_NML, STATUS = 'OLD',\n & POSITION = 'REWIND', FORM='FORMATTED', IOSTAT = STAT )\n\n ! Check for Error in File Open Process\n IF ( STAT .NE. 0 ) THEN\n WRITE( XMSG, '(A,A,A)' ),'ERROR: Could not read ',\n & 'STAGE control namelist file: ',TRIM( STAGECTRL )\n CALL M3EXIT( 'STAGE_LU_MAPPER',0,0,XMSG,1 )\n END IF\n\n REWIND( DEPCTRL_NML )\n READ( NML = STAGE_DATA, UNIT = DEPCTRL_NML, IOSTAT=STAT )\n IF ( STAT .NE. 0 ) THEN\n WRITE( LOGDEV, \"(5x,A,/,5x,A,/,5x,A,/,5x,A)\" ),\n & 'Warning! Something went wrong while reading the ',\n & 'STAGE land use section of the STAGE Deposition',\n & 'Control Namelist. Default values for this section ',\n & 'will be assumed.'\n END IF\n\n dep_gas_all = 1\n n_xref_end = .TRUE.\n Do While( n_xref_end )\n If( STAGE_CHEM_DATA(dep_gas_all)%vd_name .Eq. 'N/A' ) Then\n n_xref_end = .FALSE.\n dep_gas_all = dep_gas_all - 1\n Else\n dep_gas_all = dep_gas_all + 1\n End If\n End Do\n \n! Allocate Chem Data\n ALLOCATE ( vd_name ( dep_gas_all ),\n & rel_rx ( dep_gas_all ), \n & LeBasM ( dep_gas_all ),\n & f0 ( dep_gas_all ),\n & M_ac ( dep_gas_all ),\n & molwt_all ( dep_gas_all ),\n & H_name_all ( dep_gas_all ),\n & USE_DEPSPC ( dep_gas_all ),\n & asx_run_map ( dep_gas_all ),\n & gc_depv_name( dep_gas_all ),STAT = ALLOCSTAT )\n If ( ALLOCSTAT .Ne. 0 ) Then\n XMSG = 'Failure allocating chemical deposition parameters '\n Call M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n End If\n \n! load arrays from STAGE namelist data\n vd_name = STAGE_CHEM_DATA(1:dep_gas_all)%vd_name\n rel_rx = STAGE_CHEM_DATA(1:dep_gas_all)%rel_rx \n f0 = STAGE_CHEM_DATA(1:dep_gas_all)%f0\n LeBasM = STAGE_CHEM_DATA(1:dep_gas_all)%LeBasM\n M_ac = STAGE_CHEM_DATA(1:dep_gas_all)%M_ac\n\n! Initialize arrays to be populated by MECH namelist data\n molwt_all = 0.0\n asx_run_map = .FALSE.\n gc_depv_name = 'None'\n H_name_all = 'None'\n \n Do v = 1, N_GC_DEPV\n s = index1( gc_depv( v ),dep_gas_all,'VD_'//vd_name ) \n If( s .Gt. 0.0 ) Then\n molwt_all( s ) = gc_molwt( gc_depv_map( v ) )\n gc_depv_name( s ) = gc_spc( gc_depv_map( v ) )\n asx_run_map( s ) = .TRUE.\n End If\n End Do \n Do v = 1, N_GC_SCAV\n s = index1(gc_spc(gc_scav_map(v)),dep_gas_all,gc_depv_name)\n if( s .Gt. 0.0 ) Then\n H_name_all( s ) = gc_scav(v)\n End if\n End Do\n Do v = 1, N_NR_DEPV\n s = index1( nr_depv( v ),dep_gas_all,'VD_'//vd_name ) \n If( s .Gt. 0.0 ) Then\n molwt_all( s ) = nr_molwt( nr_depv_map( v ) )\n gc_depv_name( s ) = nr_spc( nr_depv_map( v ) )\n asx_run_map( s ) = .TRUE.\n End If\n End Do \n Do v = 1, N_NR_SCAV\n s = index1(nr_spc(nr_scav_map(v)),dep_gas_all,gc_depv_name)\n if( s .Gt. 0.0 ) Then\n H_name_all( s ) = nr_scav(v)\n End if\n End Do\n Do v = 1, N_TR_DEPV\n s = index1( tr_depv( v ),dep_gas_all,'VD_'//vd_name ) \n If( s .Gt. 0.0 ) Then\n molwt_all( s ) = tr_molwt( tr_depv_map( v ) )\n gc_depv_name( s ) = tr_spc( tr_depv_map( v ) )\n asx_run_map( s ) = .TRUE.\n End If\n End Do \n Do v = 1, N_TR_SCAV\n s = index1(tr_spc(tr_scav_map(v)),dep_gas_all,gc_depv_name)\n if( s .Gt. 0.0 ) Then\n H_name_all( s ) = tr_scav(v)\n End if\n End Do\n\n! Map the deposition surrogate species \n IF ( ( N_GC_SPC + N_NR_SPC + N_TR_SPC ) .LE. 0 ) THEN\n XMSG = 'Model not compiled for gases'\n CALL M3EXIT ( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n\nC Set up names and indices\n N_USE_DEPSPC = 0\n USE_DEPSPC = .FALSE. ! array\n\nC Set up the DEPV pointers to calculated deposition velocities\n\n DO V = 1, N_DEPV_NAMES\n VNAME = DEPV_NAMES( V )( 4:LEN_TRIM( DEPV_NAMES( V ) ) )\n N = INDEX1( VNAME, dep_gas_all, vd_name )\n IF ( N .NE. 0 ) THEN\n IF ( .NOT. USE_DEPSPC( N ) ) THEN\n USE_DEPSPC( N ) = .TRUE.\n N_USE_DEPSPC = N_USE_DEPSPC + 1\n END IF \n ELSE\n XMSG = 'Could not find ' // TRIM( DEPV_NAMES( V ) ) // \n & ' in ' // TRIM( DEPV_METHOD ) //\n & ' surrogate table.'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n END DO\n\nC Sort DEPV_NAMES based on the order in DEPSPC (DEPVVARS module)\n\n N = 0\n DO V = 1, dep_gas_all \n IF ( USE_DEPSPC( V ) ) THEN\n N = N + 1\n VNAME = 'VD_' // vd_name( V )( 1:LEN_TRIM( vd_name( V ) ) )\n DEPV_NAMES( N ) = VNAME\n END IF\n END DO\n\nC Locate model species' DEPVs in the unique DEPV_NAMES list\n\n DO V = 1, N_GC_DEPV\n VNAME = GC_DEPV( V )\n N = INDEX1( VNAME, N_DEPV_NAMES, DEPV_NAMES )\n IF ( N .NE. 0 ) THEN\n DEPV_SUR( V ) = N\n ELSE\n XMSG = 'Could not find ' // TRIM( GC_DEPV( V ) )\n & // ' in STAGE Deposition Namelist.' \n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n END DO\n\n STRT = N_GC_DEPV + 1\n FINI = N_GC_DEPV + N_NR_DEPV \n DO V = STRT, FINI\n VNAME = NR_DEPV( V - ( STRT-1 ) )\n N = INDEX1( VNAME, N_DEPV_NAMES, DEPV_NAMES )\n IF ( N .NE. 0 ) THEN\n DEPV_SUR( V ) = N\n ELSE\n XMSG = 'Could not find ' // TRIM( NR_DEPV( V ) )\n & // ' in STAGE Deposition Namelist.' \n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n END DO\n\n STRT = N_GC_DEPV + N_NR_DEPV + 1\n FINI = N_GC_DEPV + N_NR_DEPV + N_TR_DEPV\n DO V = STRT, FINI\n VNAME = TR_DEPV( V - (STRT-1) )\n N = INDEX1( VNAME, N_DEPV_NAMES, DEPV_NAMES )\n IF ( N .NE. 0 ) THEN\n DEPV_SUR( V ) = N\n ELSE\n XMSG = 'Could not find ' // TRIM( TR_DEPV( V ) )\n & // ' in STAGE Deposition Namelist.' \n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n END DO\n\n Write(Logdev,*) '*********************** STAGE Deposition Map ***********************'\n Write(Logdev,99901) 'Dep. Species', 'H Surrogate', 'Mol Weight'\n\n Do v = 1, dep_gas_all\n If( asx_run_map (v) ) Write(Logdev,99902) gc_depv_name( v ), H_name_all(v), molwt_all(v)\n End Do\n \n Return\n\n99901 Format(A16,1x,A16,1x,A16)\n99902 Format(A16,1x,A16,10x,F6.2)\n\n End Subroutine Map_Stage\n\n End Module Stage_Data\n" }, { "path": "CCTM/src/depv/stage/STAGE_FUNCTIONS.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n Module Resist_Funcs\n!:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n! This module contains functions and subroutines to calculate variables\n! used to estimate the air-surface exchange using the STAGE deposition option\n!:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n Use ASX_DATA_MOD, only:pr, twothirds\n \n Implicit None\n Real, Parameter, Private :: a0 = 8.0 ! [dim'less]\n\n Contains \n!--------------------------------------------------------------------------------------------------\n! Calculate soil dry diffusive length until saturation\n!--------------------------------------------------------------------------------------------------\n Pure Function Calc_ldry( sm_v1cm, sm_v5cm, sm_vsat, zsoil1 ) Result( ldry )\n\n Implicit None \n\n Real, Intent( IN ) :: sm_v1cm ! Volumetric soil moisture at -1 cm (m3/m3)\n Real, Intent( IN ) :: sm_v5cm ! Volumetric soil moisture at -5 cm (m3/m3)\n Real, Intent( IN ) :: sm_vsat ! Volumetric soil moisture saturation point (m3/m3)\n Real, Intent( IN ) :: zsoil1 ! Model depth of soil layer 1\n Real, Parameter :: ldry_max = 0.02 ! maximum dry diffusion length based on measurements of Kondo et al 1990\n Real :: ldry ! Length of dry layer soil diffusion distance (m)\n \n! The following resistance parameterization is derived from measurements with soil samples of 2 cm thick (Kondo et al 1990)\n! https://doi.org/10.1175/1520-0450(1990)029<0385:APOEFB>2.0.CO;2 as discussed in Sakaguchi and Zeng 2009 JGR \n! https://doi.org/10.1029/2008JD010834 According to Swenson and Lawrence 2014 (https://doi.org/10.1002/2014JD022314) and the \n! references therein the dry layer thickness varies from 1 to 3 cm. \n! From Sakaguchi and Zeng 2009 JGR Equation 10\n ldry = ldry_max * ( Exp( ( 1.0 - sm_v1cm / sm_vsat ) ** 5 ) - 1.0 ) / 1.718\n\n If(ldry .gt. zsoil1) Then\n ldry = zsoil1 + ( ldry_max - zsoil1 ) * ( Exp( ( 1.0 - sm_v5cm / sm_vsat ) ** 5 ) - 1.0 ) / 1.718\n End If\n\n End Function Calc_ldry\n!--------------------------------------------------------------------------------------------------\n! Calculate Quasi-laminar boundary layer resistance to deposition to water surfaces\n!--------------------------------------------------------------------------------------------------\n Pure Function Calc_Rbw( ustar, scc_pr_23 ) Result( Rbw )\n! Returns the quasi-laminar boundary layer resistance for a flat surface based on \n! Wesely and Hicks 1977 https://doi.org/10.1080/00022470.1977.10470534 equation 13\n\n Implicit None\n \n Real, Intent( IN ) :: ustar\n Real, Intent( IN ) :: scc_pr_23\n Real :: Rbw\n\n Rbw = 5.0 / ustar * scc_pr_23\n End Function Calc_Rbw\n\n!--------------------------------------------------------------------------------------------------\n! Calculate Resistance to deposition to surface waters\n! \n! References: \n! Chang et al., Ozone deposition to the sea surface: chemical enhancement and wind speed \n! dependence, Atmos. Environ., 38(7), 1053-1059, https://doi.org/10.1016/j.atmosenv.2003.10.050, \n! 2004\n! Garland et al., The mechanism for dry deposition of ozone to seawater surface, J. Geophys. Res,\n! 85, 7488-7492, https://doi.org/10.1029/JC085iC12p07488, 1980\n! Hayduk, W., and H. Laudie, Prediction of diffusion coefficients for nonelectrolytes indilute \n! aqueous solutions, AIChE. J., 20, 611-615, https://doi.org/10.1002/aic.690200329, 1974\n! Rebello et al., The Cycling of Iodine as Iodate and Iodide in a Tropical Estuarine System, \n! Marine Chem. 29, 77-93, https://doi.org/10.1016/0304-4203(90)90007-Y, 1990\n! \n!--------------------------------------------------------------------------------------------------\n Pure Function Calc_Rwater( ustar, q_2m, temp_2m, temp_g, tw, MVol, H, O3_Hit, \n & Hg_Hit, sea_ice ) Result( Rwater ) \n Implicit None\n\n Include SUBST_CONST ! constants\n \n Real, Intent( IN ) :: ustar ! Surface friction velocity (m/s)\n Real, Intent( IN ) :: q_2m ! temp water vapor mixing ratio\n Real, Intent( IN ) :: temp_2m ! 2m temp (K)\n Real, Intent( IN ) :: temp_g ! surface temp (K)\n Real, Intent( IN ) :: tw ! water skin temp (K)\n Real, Intent( IN ) :: H ! Effective Henry's Constant (unitless)\n Real, Intent( IN ) :: MVol ! Molar volume (LeBas) (L/mol)\n logical, Intent( IN ) :: O3_Hit ! O3 index\n logical, Intent( IN ) :: Hg_Hit ! Hg index\n logical, Intent( IN ) :: sea_ice ! sea ice coverage (ratio)\n Real, Parameter :: rt25inK = 1.0/(stdtemp + 25.0) ! 1/298.15K (1/K)\n Real, Parameter :: d3 = 1.38564e-2 ! Empirical coefficient (unitless)\n Real :: pChang, kwChang ! Air-water partitioning coefficients (unitless)\n Real :: ciodide, qiodide ! Iodide in sea-water based on SST (mol / L)\n Real :: dw25, dw, kvisw ! Trace gase diffusivity (at 25C and tw) in water and kinematic viscosity of water (cm2/s)\n Real :: scw_pr_23 ! (SCC/PR)**2/3, fn of DIF0\n Real :: Rwater ! Resistance of deposition to sea surfaces (s/m)\n\n! from Hayduk and Laudie\n dw25 = 13.26e-5 / ( 0.8904**1.14 * MVol**0.589 )\n kvisw = 0.017 * EXP( -0.025 * ( tw - stdtemp ) )\n dw = dw25 * ( tw * rt25inK ) * ( 0.009025 / kvisw )\n scw_pr_23 = ( ( kvisw / dw ) / pr ) ** twothirds\n! All species but Hg and O3\n Rwater = scw_pr_23 / ( H * d3 * ustar )\n\n IF ( O3_Hit ) THEN !implement Chang et al(2004)\nc pChang is a/H or alpha/H which would be 1/H in current model\nc note that in Chang et al (2004) and Garland et al (1980) their H is Cair/Cwater which is\nc the inverse of heff\n pChang = 1.75\n kwChang = (d3*ustar)/scw_pr_23\n\nc If a file of chlorophyll concentrations is provided, Iodide concentrations are estimated from\nc a fit to the Rebello et al 1990 data. The slope and correlation are given in the paper\nc but not the intercept, so the data in Tables 3 & 4 were fit to get the relationship below.\nc The regression gives the concentration in umol/L and is converted to mol/L for use in Chang et al eq.\nc The slope and correlation are slightly different than in Table 5.\nc If chlorophyll concs are not available, a constant value for [I-] of 100e-9 mol/l is used\nc Use ocean file variables to determine if the water cell is ocean or lake; method is only for ocean cells\n\n IF ( sea_ice ) THEN\n! O3 over sea ice\n Rwater = scw_pr_23 / ( H * d3 * ustar )\n ELSE \nc Iodide in sea-water based on SST (mol /dm-3)\n ciodide = 1.46E6 * EXP( -9134.0 / temp_g)\n qiodide = sqrt( 2.0e9 * ciodide * dw * 1.0e-4 ) * H\n Rwater = 1.0 / ( pChang * kwchang + qiodide )\n END IF\n End IF \n IF( Hg_Hit ) THEN\n Rwater = 1.0e6 ! surface waters are typically enriched in Hg(0) and act as an emission source\n END IF\n\n End Function Calc_Rwater\n!--------------------------------------------------------------------------------------------------\n! Calculate Resistance to deposition to ice surfaces\n!--------------------------------------------------------------------------------------------------\n Pure Function Calc_Rice( Rx ) Result( Rice )\n\n Implicit None\n \n Real, Intent( IN ) :: Rx ! Relative reactivivity (unitless)\n Real :: Rice ! Resistance of deposition to ice surfaces (s/m)\n Real, Parameter :: rsnow0 = 10000.0 ! Empirical scaling coefficient set to\n ! approximately match D Helmig et al. 2007 for O3\n \n Rice = rsnow0 * a0 / Rx \n\n End Function Calc_Rice\n\n!--------------------------------------------------------------------------------------------------\n! Calculate resistance to snow-covered surfaces\n!--------------------------------------------------------------------------------------------------\n Pure Function Calc_Rsnow( temp_g, snow, molwt, M_ac, heff, dif_T, rel_rx ) Result( Rsnow )\n\n Implicit None\n\n Include SUBST_CONST ! constants\n \n Real, Intent( IN ) :: temp_g ! surface temperature (K) \n Real, Intent( IN ) :: snow ! snow coverage (ratio)\n Real, Intent( IN ) :: molwt ! molar mass (g/mol)\n Real, Intent( IN ) :: M_ac ! Mass accommodation coefficient (ratio)\n Real, Intent( IN ) :: heff ! Effective henry's constant (unitless)\n Real, Intent( IN ) :: dif_T ! Mass diffusivity of the trace gas (m2/s) \n Real, Intent( IN ) :: rel_rx ! Relative reactivivity (unitless)\n Real :: Rwet ! Resistance of deposition to water surfaces (s/m)\n Real :: Rice ! Resistance of deposition to ice surfaces (s/m)\n Real :: Rsnow ! Resistance of deposition to snow surfaces (s/m)\n Real :: melt_snow, ice_snow ! Ration of snow with semi-solid melted and ice surfaces (ratio)\n Real, Parameter :: rsndiff = 10.0 ! snow diffusivity fac (s/m)\n\n Rwet = Calc_Rwet( temp_g, molwt, M_ac, heff, dif_T )\n Rice = Calc_Rice( rel_rx )\n! Liquid snow fraction modeled as a system dominated by van der Waals forces following Dash et al. 1999 S. Rep. Prog. Phys. \n! with a maximum fraction of the disordered interface acting as an aqueous solution as 20% following Conklin et al 1993 with\n! the negligible impact of the disordered interface depth of 2 nm following Roth et al 2004. The 2 nm depth was approximated \n! to be around 263 degrees Celsius interpolated from figure 3 in Huthwelker et al 2006 doi:10.1021/cr020506v\n IF( snow .GT. 0.0 ) Then\n IF( stdtemp-temp_g .GT. 0.002 ) THEN\n melt_snow = 0.025 / (stdtemp-temp_g)**(1.0/3.0)\n melt_snow = MIN (melt_snow, 0.2)\n melt_snow = MAX (melt_snow, 0.01)\n ELSE\n melt_snow = 0.2\n ENDIF\n Else\n melt_snow = 0.0\n End IF\n! frozen snow fraction\n ice_snow = 1.0 - melt_snow \n\n Rsnow = 1.0 / ( ice_snow / Rice + melt_snow / ( rsndiff + rwet ) ) \n\n End Function Calc_Rsnow\n\n!-------------------------------------------------------------------------------------------------\n! Resistance to air-wet surface exchange\n!-------------------------------------------------------------------------------------------------\n Pure Function Calc_Rwet( temp_g, MW, ac, H, dif_T ) Result( Rwet )\n\n Implicit None\n\n Include SUBST_CONST ! constants\n \n Real, Intent( IN ) :: temp_g\n Real, Intent( IN ) :: H\n Real, Intent( IN ) :: dif_T\n Real, Intent( IN ) :: MW\n Real, Intent( IN ) :: ac\n Real, Parameter :: rad_wat = 1.9e-4 ! water droplet radius (m)\n Real :: Rwet\n Real :: rmsv\n Real :: rawmt\n\n rmsv = sqrt( 3.0 * RGASUNIV * 1.0e3 * temp_g / MW) \n rawmt = rad_wat / dif_T + 4.0 / ( rmsv * ac )\n Rwet = rawmt + rawmt/( H * rad_wat )\n\n End Function Calc_Rwet\n\n!-------------------------------------------------------------------------------------------------\n! Quasi-Laminar Resistance to leaf following Jensen and Hummelshoj 1995/1997 doi:10.1016/0168-1923(94)05083-I\n!-------------------------------------------------------------------------------------------------\n Pure Function Calc_Rb_leaf( k_vis, dif_T, ustar, l_leaf, lai ) Result( Rb_leaf )\n\n Implicit None\n\n Real, Intent( IN ) :: k_vis\n Real, Intent( IN ) :: dif_T\n Real, Intent( IN ) :: ustar\n Real, Intent( IN ) :: l_leaf\n Real, Intent( IN ) :: lai\n Real :: Rb_leaf\n Real, Parameter :: C0 = 100.0 ! From Jensen and Hummelshoj 1997 errata\n\n! Note that LAI**2 comes from the drag coefficient in Jensen and Hummelshoj 1995 and the \n! parameterization should be divided by LAI for a bulk canopy resistance \n Rb_leaf = k_vis / ( dif_T * ustar * max( lai, 1.0 ) ) * \n & ( C0 * l_leaf * ustar / (k_vis * max(lai,1.0)**2 ) )**(1.0/3.0)\n\n End Function Calc_Rb_leaf\n\n!-------------------------------------------------------------------------------------------------\n! Resistance to air-stomatal exchange\n!-------------------------------------------------------------------------------------------------\n Pure Function Calc_Rst( Rstw, dwat_T, dif_T, H, f_mes, lai ) Result( Rst )\n\n Implicit None\n \n Real, Intent( IN ) :: Rstw\n Real, Intent( IN ) :: dwat_T\n Real, Intent( IN ) :: dif_T\n Real, Intent( IN ) :: H\n Real, Intent( IN ) :: f_mes\n Real, Intent( IN ) :: lai\n Real :: Rst\n\n Rst = Rstw * dwat_T / dif_T + 1.0 / ( H / 3000.0 + 100.0 * f_mes ) / lai\n\n End Function Calc_Rst\n!-------------------------------------------------------------------------------------------------\n! Resistance to air-cuticular exchange\n!-------------------------------------------------------------------------------------------------\n Pure Function Calc_Rcut( temp_g, Rx, molwt, M_ac, heff, dif_T, a_cut, \n & snow, no_snow, dry, wet, rh, lai, O3_hit, NH3_hit, ABFLUX ) Result( Rcut )\n\n Implicit None\n\n Real, Intent( IN ) :: temp_g\n Real, Intent( IN ) :: a_cut\n Real, Intent( IN ) :: snow\n Real, Intent( IN ) :: no_snow\n Real, Intent( IN ) :: dry\n Real, Intent( IN ) :: wet\n Real, Intent( IN ) :: rh\n Real, Intent( IN ) :: lai\n Real, Intent( IN ) :: Rx\n Real, Intent( IN ) :: molwt \n Real, Intent( IN ) :: M_ac \n Real, Intent( IN ) :: heff \n Real, Intent( IN ) :: dif_T\n! Real, Intent( IN ) :: Rice\n! Real, Intent( IN ) :: Rsnow\n Logical, Intent( IN ) :: O3_hit\n Logical, Intent( IN ) :: NH3_hit\n Logical, Intent( IN ) :: ABFLUX\n\n Real :: Rcut\n Real :: Rsnow\n Real :: rcdry\n Real :: rwet\n Real :: rh_func\n Real, Parameter :: rcut0 = 3000.0 ! [s/m]\n Real, Parameter :: rwm = 31.5 ! Minimum NH3 cuticle resistance [s/m] from Massad et al. 2010\n\n Include SUBST_CONST ! constants\nC Calculate Rcut\n ! wet Cuticle\n ! If the surface is cold and wet, use dry snow. \n rcdry = rcut0 * a0 / Rx\n Rsnow = Calc_Rsnow( temp_g, snow, molwt, M_ac, heff, dif_T, Rx )\n IF ( temp_g .GE. stdtemp ) THEN \n! Rwet= Rwet0 \n Rwet = Calc_Rwet( temp_g, molwt, M_ac, heff, dif_T ) \n ELSE ! temp_g .Lt. stdtemp\n! rwet = Rice\n rwet = Calc_Rice( Rx )\n END IF ! temp \n IF ( O3_hit ) THEN \n ! Canopy level wet resistence Rwet to ozone was found to be about 200 s/m on basis of Keysburg exp\n ! Using LAI(1-sided) of about 6.25 measured at Keysburg gives leaf level rwet about 1250 s/m\n rwet = 1250.0 ! s/m\n ! Leaf level rwet estimated from Altimir et al 2006 gives about 1350 s/m \n ! Dry cuticle\n rh_func = max( 0.0,( rh - 70.0 )/30.0 )\n rcdry = 1.0 / ( ( 1.0 -rh_func) / ( rcut0 * a0 / Rx ) + rh_func / rwet ) \n End If\n If ( NH3_hit .And. ABFLUX ) Then\n ! Massad et al. 2010 Cuticular resistance\n rcdry = rwm * EXP( a_cut * ( 100.0 - rh ) ) \n End If ! O3\n\n Rcut = no_snow / ( lai * ( dry / rcdry + ! Dry Cuticle \n & wet / rwet ) ) + ! Wet Cuticle \n & snow * Rsnow ! Snow\n\n End Function Calc_Rcut\n!-------------------------------------------------------------------------------------------------\n! In-Canopy Aerodynamics Resistance\n!-------------------------------------------------------------------------------------------------\n Pure Function Calc_Rinc( Ra, lai ) Result( Rinc )\n\n Implicit None\n\n Real, Intent( IN ) :: Ra\n Real, Intent( IN ) :: lai\n Real :: Rinc\n\n! Calculate in canopy aerodynamic resistance based on the momentum attenuation coefficient derived \n! by Yi 2008 https://doi.org/10.1175/2007JAMC1667.1\n Rinc = Ra * ( Exp( lai / 2.0 ) - 1.0 )\n\n End Function Calc_Rinc\n!-------------------------------------------------------------------------------------------------\n! Soil Quasi-laminar boundary layer Resistance\n!-------------------------------------------------------------------------------------------------\n Pure Function Calc_Rbg( k_vis, dif_T, lai, ustar ) Result( Rbg )\n\n Implicit None\n\n Real, Intent( IN ) :: k_vis\n Real, Intent( IN ) :: dif_T\n Real, Intent( IN ) :: lai\n Real, Intent( IN ) :: ustar\n Real :: Rbg\n Real :: scn\n Real :: del0\n Real :: ustg\n Real, Parameter :: karman = 0.4 ! add to stage data and move functions to new module STAGE_OPS\n\nC Calculate Canopy Covered Soil Resistance Nemitz et al 2000 https://doi.org/10.1016/S0168-1923(00)00206-9\n ! Soil quazi laminar boundary layer resistance with canopy \n scn = k_vis / dif_T\n ! ustar at the soil surface following Yi 2008 https://doi.org/10.1175/2007JAMC1667.1\n ustg = max( ustar * EXP( -lai / 2.0 ), 0.001 ) \n del0 = dif_T / ( karman * ustg )\n Rbg = ( scn - LOG( del0 / 0.10 ) ) / ( karman * ustg )\n End Function Calc_Rbg\n\n!-------------------------------------------------------------------------------------------------\n! Net resistance for deposition to soil surfaces\n!-------------------------------------------------------------------------------------------------\n Pure Function Calc_Rg( dif_T, k_vis, Rx, Ra, ustar, lai, temp_g, molwt, M_ac, heff, sm_v1cm,\n & sm_v5cm, sm_vsat, sm_vfc, sm_vwlt, sm_vres, sm_bslp, zsoil, frac_ir,\n & dry, wet, snow, no_snow, O3_Hit, NH3_Hit, ABFLUX ) Result( Rgc )\n\n Implicit None\n\n Include SUBST_CONST ! constants\n\n Real, Intent ( IN ) :: dif_T\n Real, Intent ( IN ) :: k_vis\n Real, Intent ( IN ) :: Rx\n Real, Intent ( IN ) :: Ra\n Real, Intent ( IN ) :: ustar\n Real, Intent ( IN ) :: lai\n Real, Intent ( IN ) :: temp_g\n Real, Intent ( IN ) :: molwt \n Real, Intent ( IN ) :: M_ac \n Real, Intent ( IN ) :: heff\n Real, Intent ( IN ) :: sm_v1cm\n Real, Intent ( IN ) :: sm_v5cm\n Real, Intent ( IN ) :: sm_vsat\n Real, Intent ( IN ) :: sm_vfc\n Real, Intent ( IN ) :: sm_vwlt\n Real, Intent ( IN ) :: sm_vres\n Real, Intent ( IN ) :: sm_bslp\n Real, Intent ( IN ) :: zsoil\n Real, Intent ( IN ) :: frac_ir\n Real, Intent ( IN ) :: dry, wet, snow, no_snow\n Logical, Intent( IN ) :: O3_Hit, NH3_Hit, ABFLUX\n \n Real :: Rg\n Real :: Rgc\n Real :: Rbgc\n Real :: Rinc\n Real :: Rwet\n Real :: Rsnow\n Real :: sm_v1cm_ir, sm_v5cm_ir, sm_v10cm\n Real :: sm_func\n Real :: ldry\n Real :: dp, rgdry\n Real :: p_wet ! wet soil surface\n Real :: p_dry ! dry soil surface\n Real, Parameter :: ldry_max = 0.02\n Real, Parameter :: rg0 = 1000.0 ! [s/m]\n\n Rwet = Calc_Rwet( temp_g, molwt, M_ac, heff, dif_T )\n Rsnow = Calc_Rsnow( temp_g, snow, molwt, M_ac, heff, dif_T, Rx )\n\n If(ABFLUX .And. NH3_Hit) Then\n! Updated based on EPIC 5cm soil moisture estimates where the 25% percentile of the irrigated crop fractional soil moisture was \n! approximately equal to 60% of the field capacity. \n If ( frac_ir .Gt. 0.0 .And. sm_v5cm .LE. 0.60 * sm_vfc ) Then \n sm_v1cm_ir = ( 1.0 - frac_ir ) * sm_v1cm + frac_ir * 0.60 * sm_vfc\n sm_v5cm_ir = ( 1.0 - frac_ir ) * sm_v5cm + frac_ir * 0.60 * sm_vfc\n Else\n sm_v1cm_ir = sm_v1cm\n sm_v5cm_ir = sm_v5cm\n End If\n \n! The following resistance parameterization is derived from measurements with soil samples of 2 cm thick (Kondo et al 1990)\n! https://doi.org/10.1175/1520-0450(1990)029<0385:APOEFB>2.0.CO;2 as discussed in Sakaguchi and Zeng 2009 JGR \n! https://doi.org/10.1029/2008JD010834 According to Swenson and Lawrence 2014 (https://doi.org/10.1002/2014JD022314) and the \n! references therein the dry layer thickness varies from 1 to 3 cm. \n! From Sakaguchi and Zeng 2009 JGR Equation 10\n ldry = Calc_ldry( sm_v1cm_ir, sm_v5cm_ir, sm_vsat, zsoil ) \n dp = dif_T * sm_vsat**2 * ( 1.0 - sm_vres / sm_vsat ) ** ( 2.0 + 3.0 / sm_bslp ) \n rgdry = max(ldry / dp,1.0e-6)\n! Assumes that the soil water is an emission source. Air-soil water gradient replaces the empirical resistance to water\n Rg = no_snow * rgdry + snow * Rsnow \n\n Else If ( O3_Hit ) Then\n! Following based on measurements Fares et al 2014 https://doi.org/10.1016/j.agrformet.2014.08.014 for sandy soil \n! forests at 10cm measured soil moisture and Fumagalli et al. 20016 https://doi.org/10.1016/j.agrformet.2016.07.011 for sandy loam soils\n! Here an asymptotic function was applied to set lower and upper bounds in the resistance as reported by Fumagalli et al. 2016\n sm_v10cm = min(sm_v1cm * exp( 0.09 * GRAV )**(1.0/sm_bslp), sm_vsat )\n sm_func = max( tiny(0.0)**(1.0/sm_bslp) * PI , ( sm_v10cm-sm_vwlt ) / sm_vfc )\n rgdry = 250.0 + 2000.0 * atan( sm_func**sm_bslp ) /PI \n\n Rg = no_snow * ( 1.0/ ( dry / rgdry + wet / rwet ) ) + snow * Rsnow \n Else \n rgdry = rg0 * a0 / Rx\n Rg = no_snow * ( 1.0/ ( dry / rgdry + wet / rwet ) ) + snow * Rsnow \n End If\n Rinc = Calc_Rinc( Ra, lai )\n Rbgc = Calc_Rbg( k_vis, dif_T, lai, ustar )\n\n Rgc = Rg + Rbgc + Rinc \n\n End Function Calc_Rg\n\n!-------------------------------------------------------------------------------------------------\n! CMAQ v5.3 Aerosol Deposition Velocity parameterization. Note that this is the v5.3 implementation\n! in the STAGE deposition option, evaluated in Appel et al. 2021 and Benish et al. 2022, and differs \n! from Shu et al. in the land use tiling and implementaiton of the vegetation factor\n! \n! References: \n! Appel, K.W., et. al., The Community Multiscale Air Quality (CMAQ) model versions 5.3 and 5.3. 1: \n! system updates and evaluation. Geosci. Model Dev. 14, 2867-2897, \n! https://doi.org/10.5194/gmd-14-2867-2021, 2021\n! Benish, S.E., et al., Long-term Regional Trends of Nitrogen and Sulfur Deposition in the United \n! States from 2002 to 2017, Atmos. Phys. Chem. Discussions, https://doi.org/10.5194/acp-2022-201,\n! 2022\n! Shu et al., Particle dry deposition algorithms in CMAQ version 5.3: characterization of critical \n! parameters and land use dependence using DepoBoxTool version 1.0, Geosci. Model Dev. Discussions, \n! https://doi.org/10.5194/gmd-2021-129, 2021\n! \n!-------------------------------------------------------------------------------------------------\n!-------------------------------------------------------------------------------------------------\n! Aerosol surface resistance for vegetative surfaces\n!-------------------------------------------------------------------------------------------------\n Pure Function RD_Veg(Vghat, ustar, SC,l_width, lai) Result( RD )\n \n Implicit None\n\n Include SUBST_CONST ! constants\n\n Real, Intent( IN ) :: Vghat\n Real, Intent( IN ) :: ustar\n Real, Intent( IN ) :: SC\n Real, Intent( IN ) :: l_width\n Real, Intent( IN ) :: lai\n Real :: RD\n Real :: V_fac\n Real :: ST\n Real :: EIM\n Real :: EIB\n\n V_fac = max( lai, 1.0 )\n ST = Vghat * ustar / ( GRAV * l_width )\n EIB = Calc_EIB( SC )\n EIM = EIM_Veg( ST )\n RD = 1.0 / ( V_fac * ustar * ( EIB + EIM ) )\n\n End Function RD_Veg\n!-------------------------------------------------------------------------------------------------\n! Aerosol surface resistance for water and bare soil surfaces\n!-------------------------------------------------------------------------------------------------\n Pure Function RD_Smooth(Vghat, ustar, SC, nu ) Result( RD )\n \n Implicit None\n\n Include SUBST_CONST ! constants\n\n Real, Intent( IN ) :: Vghat\n Real, Intent( IN ) :: ustar\n Real, Intent( IN ) :: SC\n Real, Intent( IN ) :: nu\n Real :: RD\n Real :: ST\n Real :: EIM\n Real :: EIB\n\n ST = Vghat * ustar**2 / ( GRAV * nu )\n EIB = Calc_EIB( SC )\n EIM = EIM_Smooth( ST )\n RD = 1.0 / ( ustar * ( EIB + EIM ) )\n\n End Function RD_Smooth\n!-------------------------------------------------------------------------------------------------\n! CMAQ v5.3 Aerosol Deposition Velocity parameterization. \n! \n! Reference:\n! Venkatram, A. and Pleim, J.: The electrical analogy does not apply to modeling dry deposition of \n! particles, Atmos. Environ., 33, 30753076, https://doi.org/10.1016/S1352-2310(99)00094-1, 1999.\n! \n!-------------------------------------------------------------------------------------------------\n Pure Function aero_depv(veg, Ra, Vghat, ustar, SC, NU, l_aero, lai ) Result( depv )\n \n Implicit None\n\n Real, Intent( IN ) :: veg\n Real, Intent( IN ) :: Ra\n Real, Intent( IN ) :: Vghat\n Real, Intent( IN ) :: ustar\n Real, Intent( IN ) :: SC\n Real, Intent( IN ) :: NU\n Real, Intent( IN ) :: l_aero\n Real, Intent( IN ) :: lai\n Real :: RD_Can\n Real :: RD_Smth\n Real :: depv\n\n\n If( veg .Gt. 0.0 ) Then\n RD_Can = RD_Veg( Vghat, ustar, SC,l_aero, lai)\n Else\n RD_Can = 1.0e6 \n End If\n RD_Smth = RD_Smooth(Vghat, ustar, SC, NU )\n\n depv = veg * Vghat / ( 1.0 - EXP( -Vghat * ( Ra + RD_Can ) ) ) + \n & ( 1.0 - veg ) * Vghat / ( 1.0 - EXP( -Vghat * ( Ra + RD_Smth ) ) )\n\n End Function aero_depv\n!-------------------------------------------------------------------------------------------------\n! Brownian Diffusion Collection Efficiency\n!-------------------------------------------------------------------------------------------------\n Pure Function Calc_EIB( SC ) Result( EIB )\n\n Implicit None\n\n Real, Intent( IN ) :: SC\n Real :: EIB\n\n EIB = SC ** (-twothirds)\n\n End Function Calc_EIB\n!-------------------------------------------------------------------------------------------------\n! Impaction Collection Efficiency for vegetation following Slinn 1982\n!-------------------------------------------------------------------------------------------------\n Pure Function EIM_Veg( ST ) Result( EIM )\n\n Implicit None\n\n Real, Intent( IN ) :: ST\n Real :: EIM\n\n EIM = ST**2 / ( 1.0 + ST**2 ) ! Slinn 1982 equation 28 \n\n End Function EIM_Veg\n!-------------------------------------------------------------------------------------------------\n! Impaction Collection Efficiency for water and soil surfaces following Giorgi 1986\n!-------------------------------------------------------------------------------------------------\n Pure Function EIM_Smooth( ST ) Result( EIM )\n\n Implicit None\n\n Real, Intent( IN ) :: ST\n Real :: EIM\n\n EIM = ST**2 / ( 400.0 + ST**2 ) ! Giorgi 1986 Equation 17 \n\n End Function EIM_Smooth\n!-------------------------------------------------------------------------------------------------\n! Aerosol Dry Deposition Code Following\n! Emerson et al 2020 PNAS https://www.pnas.org/cgi/doi/10.1073/pnas.2014761117\n! \n! This code follows the Emerson et al 2020 parameterization with modifications to account for\n! seasonality due to changing LAI and continuous scaling from vegetated to non-vegetated surfaces\n! This parmaterization matches Emerson et al 2020 when LAI is approximately 5 for vegetation \n! categories and for non-vegitated surfaces. \n!\n! Refernces: \n! Emerson et al., Revisiting particle dry deposition and its role in radiative effect estimates, \n! Proc. Natl. Acad. Sci., 117, 26076-26082, https://www.pnas.org/cgi/doi/10.1073/pnas.2014761117, \n! 2020\n! Zhang et al. A size-segregated particle dry depositionscheme for an atmospheric aerosol module. \n! Atmos. Environ.35, 549560, https://doi.org/10.1016/S1352-2310(00)00326-5, 2001 \n!-------------------------------------------------------------------------------------------------\n! Aerosol surface resistance for vegitative surfaces\n!-------------------------------------------------------------------------------------------------\n Pure Function RD_Veg_E20(Vghat, ustar, SC,l_width, lai, Dp, wet, Alpha, EINHAT) Result( RD )\n \n Implicit None\n\n Include SUBST_CONST ! constants\n\n Real, Intent( IN ) :: Vghat\n Real, Intent( IN ) :: ustar\n Real, Intent( IN ) :: SC\n Real, Intent( IN ) :: l_width\n Real, Intent( IN ) :: lai\n Real, Intent( IN ) :: alpha\n Real, Intent( IN ) :: Dp\n Real, Intent( IN ) :: wet\n Real, Intent( IN ) :: EINHAT\n Real :: RD\n Real :: veg_ustar ! intgrated lai * ustar through the canopy is equal to 3 * ustar at lai = 5.5\n Real :: ST\n Real :: EIM ! Impaction Collection Efficiency for vegetation following Emerson et al. 2020\n Real :: EIN ! Interception Collection Efficiency for vegetation following Emerson et al 2020\n Real :: EIB ! Brownian Diffusion Collection Efficiency Following Emerson et al. 2020\n Real :: R1 ! collection efficiency following Slinn 1982\n\n! Integration of lai(z)/hc u*(z) from 0 to hc. \n veg_ustar = max((4.0 - (2.0 * lai + 4.0) * exp( -lai/2.0 )) * ustar, 1.0e-3) ! Replaces the constant 3 in Zhang et 2001\n ST = Vghat * ustar / ( GRAV * l_width )\n R1 = max( Exp( -SQRT( ST ) ), 1.0e-20) ! only apply to particles with diameter larger than 5 um Zhang et al 2001\n EIB = Calc_EIB_E20( SC )\n EIN = EIN_Veg_E20( Dp, l_width ) * EINHAT\n EIM = EIM_Veg_E20( ST, alpha )\n RD = 1.0 / ( wet * ( veg_ustar * ( EIB + EIN + EIM ) ) + ! Wet surface\n & (1.0 - wet) * ( veg_ustar * ( EIB + EIN + EIM ) * R1 ) ) ! Dry surface\n\n End Function RD_Veg_E20\n!-------------------------------------------------------------------------------------------------\n! Aerosol surface resistance for water and bare soil surfaces\n!-------------------------------------------------------------------------------------------------\n Pure Function RD_Smooth_E20(Vghat, ustar, lai, SC, nu, wet ) Result( RD )\n \n Implicit None\n\n Include SUBST_CONST ! constants\n\n Real, Intent( IN ) :: Vghat\n Real, Intent( IN ) :: ustar\n Real, Intent( IN ) :: lai\n Real, Intent( IN ) :: SC\n Real, Intent( IN ) :: nu\n Real, Intent( IN ) :: wet\n Real :: ustg ! ustar at ground = ustar if lai=0\n Real :: RD\n Real :: ST\n Real :: EIM\n Real :: EIB\n Real :: R1\n\n ustg = max( ustar * exp( -lai/2.0 ), 0.001 )\n ST = Vghat * ustg**2 / ( GRAV * nu )\n R1 = max( Exp( -SQRT( ST ) ), 1.0e-20) ! only apply to particles with diameter larger than 5 um Zhang et al 2001\n EIB = Calc_EIB_E20( SC )\n EIM = EIM_SMOOTH_E20( ST )\n RD = 1.0 / ( wet * ( 3.0 * ustg * ( EIB + EIM ) ) + ! Wet surface\n & (1.0 - wet) * ( 3.0 * ustg * ( EIB + EIM ) * R1 ) ) ! Dry Surface\n\n End Function RD_Smooth_E20\n!-------------------------------------------------------------------------------------------------\n! Aerosol Deposition Velocity\n!-------------------------------------------------------------------------------------------------\n Pure Function aero_depv_E20(veg, lai, Ustar, Ra, wet, l_aero, Alpha, DG, SC, NU, VGHAT, EINHAT)\n & Result( depv )\n \n Implicit None\n\n Real, Intent( IN ) :: veg\n Real, Intent( IN ) :: lai\n Real, Intent( IN ) :: Ustar\n Real, Intent( IN ) :: Ra\n Real, Intent( IN ) :: wet\n Real, Intent( IN ) :: l_aero\n Real, Intent( IN ) :: Alpha\n Real, Intent( IN ) :: DG\n Real, Intent( IN ) :: SC\n Real, Intent( IN ) :: NU\n Real, Intent( IN ) :: Vghat\n Real, Intent( IN ) :: EINHAT ! interception modal integration term\n Real :: depv\n Real :: RD_VegL ! Resistance to vegetation leaves\n Real :: RD_VegG ! Resistance to vegetation ground\n Real :: RD_GW ! Resistance to non-vegetated ground or water\n Real :: Rc ! Two layer canopy resitance\n Real :: Rinc ! In canopy resistance for two layer model \n\n RD_GW = RD_Smooth_E20(VGHAT, Ustar, 0.0, SC, NU, wet )\n If( lai .gt. 0.0 .and. veg .gt. 0.0 ) Then\n Rinc = Calc_Rinc( Ra, lai )\n RD_VegL = RD_Veg_E20( Vghat, Ustar, SC,l_aero, lai, DG, wet, Alpha, EINHAT )\n RD_VegG = RD_Smooth_E20(VGHAT, Ustar, lai, SC, NU, wet )\n! Resistance to: Soil Canopy\n Rc = 1.0 /( 1.0/(Rinc + RD_VegG) + 1.0/RD_VegL ) \n depv = veg * Vghat / ( 1.0 - EXP( -Vghat * ( Ra + Rc ) ) ) + \n & ( 1.0 - veg ) * Vghat / ( 1.0 - EXP( -Vghat * ( Ra + RD_GW ) ) )\n Else\n depv = Vghat / ( 1.0 - EXP( -Vghat * ( Ra + RD_GW ) ) )\n End If\n End Function aero_depv_E20\n!-------------------------------------------------------------------------------------------------\n! Brownian Diffusion Collection Efficiency \n! Following Emerson et al 2020 PNAS https://www.pnas.org/cgi/doi/10.1073/pnas.2014761117\n!-------------------------------------------------------------------------------------------------\n Pure Function Calc_EIB_E20( SC ) Result( EIB )\n\n Implicit None\n\n Real, Intent( IN ) :: SC\n Real :: EIB\n Real, Parameter :: CIB = 0.2\n\n EIB = CIB * SC ** (-twothirds)\n\n End Function Calc_EIB_E20\n!-------------------------------------------------------------------------------------------------\n! Impaction Collection Efficiency for vegetation\n! Following Emerson et al 2020 PNAS https://www.pnas.org/cgi/doi/10.1073/pnas.2014761117\n!-------------------------------------------------------------------------------------------------\n Pure Function EIM_Veg_E20( ST, Alpha ) Result( EIM )\n\n Implicit None\n\n Real, Intent( IN ) :: ST\n Real, Intent( IN ) :: Alpha ! Zhang et al 2010 Table 3\n Real :: EIM\n Real, Parameter :: CIM = 0.4 ! Emerson et al. 2020 (Table S1)\n Real, Parameter :: Beta = 1.7\n\n EIM = CIM * ( ST /( Alpha + ST ) ) ** Beta ! Emerson et al 2020 equation 4 \n\n End Function EIM_Veg_E20\n!-------------------------------------------------------------------------------------------------\n! Impaction Collection Efficiency for water and soil surfaces following Giorgi 1986\n!-------------------------------------------------------------------------------------------------\n Pure Function EIM_Smooth_E20( ST ) Result( EIM )\n\n Implicit None\n\n Real, Intent( IN ) :: ST\n Real :: EIM\n Real, Parameter :: CIM = 0.4 ! Emerson et al 2020 (Table S1)\n Real, Parameter :: Alpha = 100.0 ! Zhang et al. 2001 Table 3\n Real, Parameter :: Beta = 1.7\n\n EIM = CIM * ( ST /( Alpha + ST ) ) ** Beta ! Emerson et al 2020 equation 4 \n\n End Function EIM_Smooth_E20\n\n!-------------------------------------------------------------------------------------------------\n! Interception Collection Efficiency for vegetation following Emerson et al 2020\n!-------------------------------------------------------------------------------------------------\n Pure Function EIN_Veg_E20( Dp,l_aero ) Result( EIN )\n\n Implicit None\n\n Real, Intent( IN ) :: Dp\n Real, Intent( IN ) :: l_aero\n Real :: EIN\n Real, Parameter :: CIN = 2.5\n\n EIN = CIN * ( Dp / l_aero ) ** 0.8 ! Emerson et al 2020 equation \n\n End Function EIN_Veg_E20\n\n!-------------------------------------------------------------------------------------------------\n! Aerosol Dry Deposition Code Following\n! Pleim et al 2022 \n! \n!-------------------------------------------------------------------------------------------------\n!-------------------------------------------------------------------------------------------------\n! Aerosol Deposition Velocity\n!-------------------------------------------------------------------------------------------------\n Pure Function aero_depv_P22(veg, lai, bai, Ustar, Ubar, Ra, Water, aleaf, ahair, fhair, SC,\n & NU, VGHAT, SeaIce, SST) Result( depv )\n \n Implicit None\n\n Real, Intent( IN ) :: veg\n Real, Intent( IN ) :: lai\n Real, Intent( IN ) :: bai\n Real, Intent( IN ) :: Ustar\n Real, Intent( IN ) :: Ubar\n Real, Intent( IN ) :: Ra\n Logical, Intent( IN ) :: Water\n Real, Intent( IN ) :: aleaf\n Real, Intent( IN ) :: ahair\n Real, Intent( IN ) :: fhair\n Real, Intent( IN ) :: SC\n Real, Intent( IN ) :: NU\n Real, Intent( IN ) :: Vghat\n Real, Intent( IN ) :: SeaIce\n Real, Intent( IN ) :: SST\n Real :: depv\n Real :: RD_Can ! Resistance to vegetation leaves\n Real :: RD_Smth ! Resistance to vegetation ground\n Real :: Vdv ! Vegetation deposition velocity\n Real :: Vdnv ! Non-Vegetation depositon velocity\n \n Vdv = 0.0\n Vdnv = 0.0\n If( lai .gt. 0.0 .and. veg .gt. 0.0 ) Then\n RD_Can = RD_Veg_P22( Vghat, Ustar, SC, aleaf, ahair, fhair, lai )\n Vdv = Vghat / ( 1.0 - EXP( -Vghat * ( Ra + RD_Can ) ) )\n End If\n If( 1.0 - veg .gt. 0.001 ) Then\n RD_Smth = RD_Smooth_P22(VGHAT, Ustar, Ubar, BAI, SC, NU, SST, SeaIce, Water )\n Vdnv = Vghat / ( 1.0 - EXP( -Vghat * ( Ra + RD_Smth ) ) )\n End If\n depv = veg * Vdv + (1.0-veg)*Vdnv\n End Function aero_depv_P22\n\n Pure Function RD_Veg_P22(Vghat, ustar, SC, aleaf, ahair, fhair, lai ) Result( RD )\n \n Implicit None\n\n Include SUBST_CONST ! constants\n\n Real, Intent( IN ) :: Vghat\n Real, Intent( IN ) :: ustar\n Real, Intent( IN ) :: SC\n Real, Intent( IN ) :: aleaf\n Real, Intent( IN ) :: ahair\n Real, Intent( IN ) :: fhair\n Real, Intent( IN ) :: lai\n Real :: RD\n Real :: veg_ustar \n Real :: ST1\n Real :: ST2\n Real :: EIM \n Real :: EIB \n\n! Integration of lai(z)/hc u*(z) from 0 to hc. \n veg_ustar = max(1.0,lai) * ustar ! Replaces the constant 3 in Zhang et 2001\n ST1 = Vghat * ustar / ( GRAV * aleaf )\n ST2 = Vghat * ustar / ( GRAV * ahair )\n EIB = Calc_EIB_Land_P22( SC )\n EIM = EIM_Veg_P22( ST1, ST2, fhair )\n RD = 1.0 / ( veg_ustar * ( EIB + EIM ) )\n\n End Function RD_Veg_P22\n\n!-------------------------------------------------------------------------------------------------\n! Aerosol surface resistance for water and bare soil surfaces\n!-------------------------------------------------------------------------------------------------\n Pure Function RD_Smooth_P22(Vghat, ustar, Ubar, BAI, SC, nu, SST, SeaIce, water ) Result( RD )\n \n Implicit None\n\n Include SUBST_CONST ! constants\n\n Real, Intent( IN ) :: Vghat\n Real, Intent( IN ) :: ustar\n Real, Intent( IN ) :: Ubar\n Real, Intent( IN ) :: BAI\n Real, Intent( IN ) :: SC\n Real, Intent( IN ) :: nu\n Real, Intent( IN ) :: SST\n Real, Intent( IN ) :: SeaIce\n Logical, Intent( IN ) :: Water\n Real :: RD\n Real :: ST\n Real :: EIM\n Real :: EIB\n\n ST = Vghat * ustar**2 / ( GRAV * nu )\n If( Water .and. SST .gt. -31.0 .And. SeaIce .lt. 0.5 ) Then\n EIB = Calc_EIB_Water_P22( SC, Ubar, ustar, SST )\n Else \n EIB = Calc_EIB_Land_P22( SC )\n End If\n EIM = EIM_SMOOTH_P22( ST )\n RD = 1.0 / ( ustar * BAI * ( EIB + EIM ) )\n\n End Function RD_Smooth_P22\n!-------------------------------------------------------------------------------------------------\n Pure Function Calc_EIB_Land_P22( SC ) Result( EIB )\n\n Implicit None\n\n Real, Intent( IN ) :: SC\n Real :: EIB\n Real, Parameter :: CIB = 1.0/3.0\n\n EIB = CIB * SC ** (-twothirds)\n\n End Function Calc_EIB_Land_P22\n\n! For water include effects of whitecaps - Hummelshoj et al. (1992)\n Pure Function Calc_EIB_Water_P22( SC, Ubar, ustar, SST ) Result( EIB )\n\n Implicit None\n\n Real, Intent( IN ) :: SC\n Real, Intent( IN ) :: Ubar\n Real, Intent( IN ) :: ustar\n Real, Intent( IN ) :: SST\n Real :: EIB\n Real :: alfbob\n Real :: awc\n Real :: bwc\n Real :: Ewc \n Real, Parameter :: CIB = 1.0/3.0\n \n awc = 8.46e-5 + 1.63e-6 * SST - 3.35e-8 * SST**2\n bwc = 3.354 - 0.062 * SST\n alfbob = awc * ( Ubar + bwc )**2 ! Albert 2016 with SST deg-C\n Ewc = alfbob * ustar/Ubar\n EIB = CIB * (1.0-alfbob) * SC ** (-twothirds) + Ewc\n\n End Function Calc_EIB_Water_P22\n!-------------------------------------------------------------------------------------------------\n Pure Function EIM_Veg_P22( ST1, ST2, fhair ) Result( EIM )\n\n Implicit None\n\n Real, Intent( IN ) :: ST1\n Real, Intent( IN ) :: ST2\n Real, Intent( IN ) :: fhair \n Real :: EIM\n\n EIM = ( 1.0 - fhair ) * ST1**2 /( 1.0 + ST1**2 ) + \n & fhair * ST2**2 /( 1.0 + ST2**2 )\n\n End Function EIM_Veg_P22\n\n!-------------------------------------------------------------------------------------------------\n Pure Function EIM_SMOOTH_P22( ST ) Result( EIM )\n\n Implicit None\n\n Real, Intent( IN ) :: ST\n Real :: EIM\n\n EIM = 10.0**(-3.0/ST)\n\n End Function EIM_SMOOTH_P22\n\n End Module Resist_Funcs\n" }, { "path": "CCTM/src/depv/stage/STAGE_MOD.F", "content": "!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n MODULE STAGE_MOD \n\nC-------------------------------------------------------------------------------\nC Name: Surface Tiled Aerosol and Gaseous Exchange (STAGE)\nC Purpose: Computes aerosol and gaseous air surface exchange for sub-\nC grid land use categories. All gaseous species are treated \nC as having bidirectional exchange following the two layer \nC model from Nemitz et al. 2001 and aerosol species deposition \nC follows Binkowski and Shankar 1995. Note that the Nemitz et al. \nC parameterization reduces to a standard deposition velocity\nC if the pollutant concentration on the leaf, in the leaf stomata, \nC and in the soil are zero.\nC \nC References:\nC Nemitz et al. 2001 Q. J. R. Meteorol. Soc DOI: 10.1002/qj.49712757306\nC Binkowski and Shankar 1995 JGR DOI: 10.1029/95JD02093\nC Galmarini et al. 2012 Atmos. Chem. Phys. https://doi.org/10.5194/acp-21-15663-2021\nC Appel et al. 2021 Geosci. Model Dev. https://doi.org/10.5194/gmd-14-2867-2021\nC Fuller et al. 1966 Ind. Eng. Chem. https://doi.org/10.1021/ie50677a007\nC Massman 1999 Atmos. Environ. https://doi.org/10.1016/S1352-2310(98)00204-0 \nC Default variables output area weighted Vd\nC Optional variables output land use specific LAI, RA, U*, Z0, and Vd\nC\nC Revised: 1 Dec 2017 Original version. (J. Bash)\nC-------------------------------------------------------------------------------\n\n Use GRID_CONF ! horizontal & vertical domain specifications\n Use LSM_MOD ! Land surface data\n Use ASX_DATA_MOD\n USE UTILIO_DEFN \n USE CGRID_SPCS ! CGRID mechanism species\n USE STAGE_DATA\n USE AERO_DATA, Only: N_MODE\n USE CENTRALIZED_IO_MODULE, Only: WR_AVAIL\n\n IMPLICIT NONE\n\nC shared variables \n INTEGER, ALLOCATABLE, SAVE :: DEPV_SUR( : ) ! pointer to surrogate\n REAL, ALLOCATABLE, SAVE :: VDEP( : ) ! deposition velocity [ m/s ]\n REAL, ALLOCATABLE, SAVE :: VDEPJ( :,: ) ! deposition velocity [ m/s ]\n REAL, SAVE :: xcent\n REAL, SAVE :: ycent\n INTEGER, PARAMETER :: N_AE_DEP_SPC = 9 \nC land use indexes\n Logical, Allocatable, Save :: Water( : )\n Logical, Allocatable, Save :: Ag( : )\n Real, Allocatable, Save :: a_cut( : ) ! NH3 cuticular resistance exponential term Massad et al. 2010 Table 8\n Integer, Save :: l_ag\nC gas phase species indices\n Integer, Save :: n_HONO ! index in depv\n Integer, Save :: s_HONO ! index in dep_gas_all\n Integer, Save :: n_NO2 ! index in depv\n Integer, Save :: s_NO2 ! index in dep_gas_all\n Integer, Save :: n_O3 ! index in depv\n Integer, Save :: s_O3 ! index in dep_gas_all\n Integer, Save :: n_NH3 ! index in depv\n Integer, Save :: s_NH3 ! index in dep_gas_all\n Integer, Save :: n_HG ! index in depv\n Integer, Save :: s_HG ! index in dep_gas_all\n Integer, Save :: n_HGII ! index in depv\n Integer, Save :: s_HGII ! index in dep_gas_all\n Integer, PRIVATE :: ALLOCSTAT\n CHARACTER( 96 ) :: xmsg = ' '\nC Aerosol deposition arrays\n REAL, ALLOCATABLE, SAVE :: XXLSG( : ) ! log of standard deviation\n REAL, ALLOCATABLE, SAVE :: DG( : ) ! geometric mean diameter\n REAL, ALLOCATABLE, SAVE :: PDENS( : ) ! particle density \n\n\n Contains\n SUBROUTINE INIT_STAGE ( JDATE, JTIME )\n\nC-----------------------------------------------------------------------\nC This subroutine sets up the mapping and options for the STAGE gaseous \nC and aerosol exchange subroutines. \nC-----------------------------------------------------------------------\n USE NH3_BIDI_MOD\n USE MOSAIC_MOD, Only: Tile_Data\n\n Implicit None \n \n Include SUBST_FILES_ID ! file name parameters\n Include SUBST_CONST ! constants\n\nC Arguments:\n Integer, Intent( IN ) :: JDATE, JTIME ! internal simulation date&time\n integer :: c, r, l, n, s, n_diag_dep\n CHARACTER( 16 ), PARAMETER :: pname = 'INIT_STAGE' \n CHARACTER( 16 ) :: gc_depv_name( dep_gas_all )\n CHARACTER( 16 ) :: gc_scav_name( dep_gas_all )\n Logical :: unique_gc_depv( n_gc_depv )\nC Local variables:\n\n CHARACTER( 16 ) :: VDAE_NAME( N_AE_DEP_SPC )! dep vel surrogate name table\nC 1234567890123456\n DATA VDAE_NAME( 1 ) / 'VNUMATKN ' /\n DATA VDAE_NAME( 2 ) / 'VNUMACC ' /\n DATA VDAE_NAME( 3 ) / 'VNUMCOR ' /\n DATA VDAE_NAME( 4 ) / 'VMASSI ' /\n DATA VDAE_NAME( 5 ) / 'VMASSJ ' /\n DATA VDAE_NAME( 6 ) / 'VMASSC ' /\n DATA VDAE_NAME( 7 ) / 'VSRFATKN ' /\n DATA VDAE_NAME( 8 ) / 'VSRFACC ' /\n DATA VDAE_NAME( 9 ) / 'VSRFCOR ' /\n\n xcent = real( file_xcell(f_met), 4 )\n ycent = real( file_ycell(f_met), 4 )\nC Check aerosol deposition options \n If( ( STAGE_E20 .And. STAGE_P22 ) ) Then\n XMSG = 'Both CTM_STAGE_E20 and CTM_STAGE_P22 aerosol dry ' //\n & ' deposition options were set to Y. Please select one. '\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n Else If ( STAGE_E20 .And. STAGE_S22 ) Then\n XMSG = 'Both CTM_STAGE_E20 and CTM_STAGE_S22 aerosol dry ' //\n & ' deposition options were set to Y. Please select one. '\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n Else If ( STAGE_P22 .And. STAGE_S22 ) Then\n XMSG = 'Both CTM_STAGE_S22 and CTM_STAGE_P22 aerosol dry ' //\n & ' deposition options were set to Y. Please select one. '\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n End If\nC if abflux this specifies soil, vegetation and water compensation points for NH3\n IF ( abflux ) THEN\n CALL Init_NH3_Bidi( jdate, jtime )\n END IF\nC Allocate arrays\n Allocate ( Water ( Tile_Data%n_lufrac ),\n & Ag ( Tile_Data%n_lufrac ),\n & a_cut ( Tile_Data%n_lufrac ),STAT = ALLOCSTAT )\n\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating Water, Ag, or a_cut'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n \n ALLOCATE ( VDEP( N_AE_DEP_SPC ), \n & VDEPJ( Tile_Data%n_lufrac,N_AE_DEP_SPC ), \n & DEPV_SUR( N_AE_DEPV ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating VDEP, VDEPJ, DEPV_SUR'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n ALLOCATE ( DG( N_MODE ), XXLSG( N_MODE ), PDENS( N_MODE), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating DG, XXLSG, or PDENS'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\nC Set the dep vel surrogate pointers\n DO S = 1, N_AE_DEPV\n N = INDEX1( AE_DEPV( S ), N_AE_DEP_SPC, VDAE_NAME )\n IF ( N .NE. 0 ) THEN\n DEPV_SUR( S ) = N\n ELSE\n XMSG = 'Could not find ' // AE_DEPV( S ) // ' in aerosol' //\n & ' surrogate table. >>> Dep vel set to zero <<< '\n CALL M3WARN( PNAME, JDATE, JTIME, XMSG )\n DEPV_SUR( S ) = 0\n END IF\n END DO \n\nC-----------------------------------------------------------------\nC Species maps\nC-----------------------------------------------------------------\n s_HONO = 0\n n_HONO = 0\n s_NO2 = 0\n n_NO2 = 0\n s_O3 = 0\n n_O3 = 0\n s_NH3 = 0\n n_NH3 = 0\n s_HG = 0\n n_HG = 0\n s_HGII = 0\n n_HGII = 0\n\n n = 0\n maploop: DO s = 1, dep_gas_all\n IF ( .NOT. asx_run_map( s ) ) CYCLE maploop\n n = n + 1\n\n If ( vd_name( s ) .EQ. 'NO2' ) THEN\n s_NO2 = s\n n_NO2 = n\n End If\n If ( vd_name( s ) .EQ. 'HONO' ) THEN\n s_HONO = s\n n_HONO = n\n End If\n If ( vd_name( s ) .EQ. 'O3' ) THEN\n s_O3 = s\n n_O3 = n\n End If\n If ( vd_name( s ) .EQ. 'NH3' ) THEN\n s_NH3 = s\n n_NH3 = n\n End If\n If ( vd_name( s ) .EQ. 'HG' ) THEN\n s_HG = s\n n_HG = n\n End If\n If ( vd_name( s ) .EQ. 'HGIIGAS' ) THEN\n s_HGII = s\n n_HGII = n\n End If\n END DO maploop\n\n Water = .FALSE.\n Ag = .FALSE.\n l_ag = 0\n DO l = 1, Tile_Data%n_lufrac\n Select Case( trim( Tile_Data%cat_lu( l ) ) )\n Case( 'WATER' )\n Water( l ) = .TRUE.\n a_cut( l ) = 0.0\n Case( 'AG' )\n l_ag = l\n ag( l ) = .TRUE.\n a_cut( l ) = 0.148\n Case( 'AGMOS' )\n ag( l ) = .TRUE.\n a_cut( l ) = 0.148\n Case( 'HAY' )\n ag( l ) = .TRUE.\n a_cut( l ) = 0.148\n Case( 'URBAN' )\n a_cut( l ) = 0.120\n Case( 'DECFORB','DECFORN','EVEFORB','EVEFORN','MIXFOR')\n a_cut( l ) = 0.0318\n Case( 'HERB','SHRUB' )\n a_cut( l ) = 0.120\n Case( 'GRASS' )\n a_cut( l ) = 0.176\n Case( 'WETLAND' )\n a_cut( l ) = 0.0318\n Case Default\n a_cut( l ) = 0.120\n End Select\n END DO\n\n END SUBROUTINE INIT_STAGE\n!------------------------------------------------------------------------------\n! ******** Calculate deposition velocity for trace gas species ********\n! \n! Applies Ohms law and the first Kirshhoff current law to estimate trace gase \n! dry deposition velocities and canopy/vegetation/soil concentrations following\n! the frame work of Nemitz et al., 2000 and Massad et al 2010\n! \n! References: \n! \n! Nemitz et al. Resistance modelling of ammonia exchange over oilseed rape, Ag.\n! Forest Met. 105, 405-425 https://doi.org/10.1016/S0168-1923(00)00206-9, 2000\n! Massad et al. Review and parameterisation of bi-directional ammonia exchange \n! between vegetation and the atmosphere, Atmos. Chem. Phys., 10, 10359-10386\n! https://doi.org/10.5194/acp-10-10359-2010, 2010\n!------------------------------------------------------------------------------\n\n\n SUBROUTINE GAS_X( JDate, JTime, TStep, c, r, cgridl1 ) \n \n Use NH3_BIDI_MOD\n Use MOSAIC_MOD, Only: Tile_Data \n Use HGSIM\n Use Resist_Funcs\n\n Implicit None\n\n Integer, Intent( IN ) :: JDate, JTime, c, r ! internal simulation date&time\n REAL, Intent( IN ) :: cgridl1( : ) ! layer 1 concentrations\n REAL, Intent( IN ) :: TStep ! Time step in seconds\nC Parameters specific to gas_x. Currently based on m3dry but subject to change\n Real, Parameter :: d3 = 1.38564e-2 ! [dim'less]\n Real, Parameter :: hplus_ap = 1.0e-6 ! pH=6.0 leaf apoplast solution Ph (Massad et al 2008) \n Real, Parameter :: hplus_def = 1.0e-5 ! pH=5.0\n Real, Parameter :: hplus_east = 1.0e-5 ! pH=5.0\n Real, Parameter :: hplus_h2o = 7.94328e-9 ! 10.0**(-8.1)\n Real, Parameter :: hplus_west = 3.16228e-6 ! 10.0**(-5.5)\nC Fuller-Schettler-Giddings (https://doi.org/10.1021/ie50677a007; Table I) Diffusion Volume for air \n Real, Parameter :: Diff_Vol = 20.1 ! cm3/mol\n\n! Heterogeneous HONO\n Real :: surf_bldg, surf_leaf ! HONO building and leaf surface area/voluem (1/\n Real :: kno2, conc_no2 ! pseudo-first order reaction NO2 + H2O -> HONO (1/s), NO2 (ppm)\n! Physical Chemistry variables\n Real :: heff_ap, heff_wat, heff ! Henry's constant for leaf apoplast, surface water, and wet surfaces\n Real :: hplus ! H+ in aqueous media\n LOGICAL :: effective ! true=compute effective Henry's Law const\n Real :: scc_pr_23 ! (SCC/PR)**2/3, fn of DIF0\n Real :: dif_T, k_vis, dwat_T ! Trace gase diffusivity, kinematic viscosity of air, and diffusivity of water vapor in air (m2/s)\n! Soil properties\n Real :: sm_v5cm, sm_v1cm ! Soil moisture at 5 and 1 cm (m3/m3)\n Real :: sm_vsat ! volumetric soil saturation (m3/m3)\n Real :: sm_vfc ! volumetric field capacity (m3/m3)\n Real :: sm_vwlt ! volumetric wilting point (m3/m3)\n Real :: sm_vres ! volumetric residual water (m3/m3)\n Real :: sm_bslp ! slope of the saturation water retention curve (ratio)\n! meteorologial variables\n Real :: temp_g, temp_2m ! Soil and 2m temperature (K)\n Real :: q_2m ! water vapor mixing ratio at 2m ()\n Real :: rh ! relative humidity (%) and surface friction velocity (m/s) \n Real :: ustar ! surface friction velocity (m/s)\n! Canopy variables\n Real :: l_leaf ! leaf aerodynamic width (m)\n Real :: lai ! leaf area index (m2/m2)\n! Land use variables\n Real :: snow, no_snow, wet, dry, veg, no_veg, frac_lu ! fractional land coverage (ratio)\n Real :: ir_frac ! Irrigated fraction (bidi NH3 only : ratio)\n Logical :: sea_ice\n! Deposition velocity, conductances and resistances\n Real :: vd ! deposition velocity (m/s)\n Real :: Ra ! aerodynamic resistance (s/m)\n Real :: Rb ! quasi-laminar soil/water resistance (s/m)\n Real :: Rb_leaf ! quasi-laminary leaf resistance (s/m)\n Real :: Rst ! Stomatal resistance (s/m)\n Real :: Rcut ! cuticlular resistance (s/m)\n Real :: Rgc ! under canopy soil resistance (s/m)\n Real :: Rg ! soil resistance (s/m)\n Real :: Rwat ! surface water resistance (s/m)\n! Flux estiamtes\n Real :: soil_flux ! soil emission and deposition for soil biogeochem (ppm m/s)\n Real :: LU_Flux, LU_Emis ! land use flux and land use emissions (ppm m/s) \n Real :: f_wat ! Air-surface water flux (c_atm-c_wat)/Rwat (ppm m/s)\n Real :: f_stom ! Air-stomatal flux (c_leaf - c_stom)/Rst (ppm m/s)\n Real :: f_cut ! Air-cuticular flux (c_leaf - c_cut)/Rcut (ppm m/s)\n Real :: f_soil ! Air-soil flux (c_z0 - cgrnd)/Rgc (ppm m/s)\n Real :: flux_ag ! Flux for agricultural land use, BIDI NH3 only (ppm m/s) \n! Concentrations and compensation points\n Real :: c_atm ! ambient atmospheric concentration (ppm) \n Real :: c_z0 ! Canopy concentration at z0 (ppm) \n Real :: c_leaf ! Leaf concentration at z0 (ppm) \n Real :: c_stom ! Stomatal concentration at z0 (ppm) \n Real :: c_cut ! Concentration at the cuticular surface (ppm) \n Real :: c_grnd ! Concentration in the soil air space, no veg canopy (ppm) \n Real :: c_ll ! Concentration in the soil air space, veg canopy (ppm) \n Real :: c_wat ! Concentration in surface waters (ppm) \n! Air-sea exchange\n Real :: ctemp2, lv, cp_air, tw ! 2 meter temp (C), latent heat of vaporization [J/kg/K], specific heat capacity of air [J/kg/K], water temperature (K),\n! indexes\n integer :: i, l, n, s, n_diag\n Logical :: NH3_hit, O3_hit, Hg_hit ! logical vars for special cases\n\n Real, External :: hlconst\n! Hg bidi variables \n Real :: Hg_st, Hg_cut, Hg_grnd, Hg_wat, flux_hgII\n \n effective = .TRUE.\n NH3_hit = .FALSE.\n O3_hit = .FALSE.\n Hg_hit = .FALSE. \n\n! grid cell met variables \n temp_2m = Met_Data%TEMP2(c,r)\n q_2m = MET_DATA%Q2( c,r )\n temp_g = MET_DATA%TEMPG( c,r )\n rh = MET_DATA%RH2( c,r )\n sm_vsat = GRID_DATA%WSAT( c,r )\n sm_vfc = GRID_DATA%WFC( c,r )\n sm_vwlt = GRID_DATA%WWLT( c,r )\n sm_vres = GRID_DATA%WRES( c,r )\n sm_bslp = max(GRID_DATA%BSLP( c,r ),1.0)\n sm_v1cm = min(MET_DATA%SOIM1( c,r ),sm_vsat)\n sm_v1cm = max(sm_v1cm,sm_vres)\n If( ABFLUX ) Then\n ir_frac = frac_ir( c,r )\n Else\n ir_frac = 0.0 ! no data available\n End If\n If( PX_LSM ) Then\n! simplified from Darcy's law assuming stationarity and only gravitational draining with the Campbell hydrological functions applied\n sm_v5cm = sm_v1cm * exp( (0.05-zsoil1) * GRAV )**(1.0/sm_bslp)\n sm_v5cm = Min( sm_v5cm, sm_vsat )\n sm_v5cm = Max( sm_v5cm, sm_vres )\n Else If( CLM_LSM .OR. NOAH_LSM ) Then\n sm_v5cm = MET_DATA%SOIM2( c,r )\n sm_v5cm = Min( sm_v5cm, sm_vsat )\n sm_v5cm = Max( sm_v5cm, sm_vres )\n End If\n\n snow = max( 0.0, MET_DATA%SNOCOV( c,r ) )\n! total snow fraction\n no_snow = 1.0 - snow\n\n sea_ice = .TRUE.\n IF (((GRID_DATA%OCEAN(c,r) + GRID_DATA%SZONE(c,r)) .GT. 0.0) .AND. (MET_DATA%SEAICE(c,r) .LE. 0.0)) THEN\n sea_ice = .FALSE.\n End If\n!\n IF ( ( ycent .GE. 30.0 ) .AND. ( ycent .LE. 45.0 ) .AND.\n & ( xcent .GE. -120.0 ) .AND. ( xcent .LE. -70.0 ) ) THEN\n IF ( GRID_DATA%LON( c,r ) .GT. -100.0 ) THEN\n hplus = hplus_east\n ELSE\n hplus = hplus_west\n END IF\n ELSE\n hplus = hplus_def\n END IF\n! moved water temperature here to reduce redundancy and facilitate moving the hlconst \n! subroutine out of the land use loop for better vectorization.\n ctemp2 = temp_2m - stdtemp\n lv = lv0 - dlvdt * ctemp2\n cp_air = CPD * ( 1.0 + 0.84 * q_2m ) ! [J/kg/K]\n tw = ( ( 4.71e4 * cp_air / lv ) - 0.870 ) + stdtemp ! [K]\n k_vis = kvis*1.0e-4 * ( temp_2m/STDTEMP )**1.81 ! Following Massman 1999\n dwat_T = dwat*1.0e-4 * ( temp_2m/STDTEMP )**1.81 ! Following Massman 1999\n n = 0\n n_diag = 0\n spc_loop: Do s = 1, dep_gas_all\n IF ( asx_run_map( s ) ) Then\n n = n + 1\n Tile_Data%Grd_Vd( C, R, n ) = 0.0\n Tile_Data%Bidi_Emis( C, R, n ) = 0.0\n! Special cases\n if( s .eq. s_NH3 ) NH3_hit = .True.\n if( s .eq. s_O3 ) O3_hit = .True.\n if( s .eq. s_Hg ) Hg_hit = .True.\n! Following Fuller et al 1966 (https://doi.org/10.1021/ie50677a007) and using the FSG-LeBas method from the\n! EPA OnSite toolbox (https://www3.epa.gov/ceampubl/learn2model/part-two/onsite/ed-background.html). \n dif_T = 1.0e-7*temp_2m**1.75 * sqrt( 1.0/MWAIR + 1.0/molwt_all( s ) ) / \n & ( Diff_Vol**(1.0/3.0) + LeBasM( s )**(1.0/3.0) )**2 \n scc_pr_23 = ( ( k_vis / dif_T ) / pr ) ** twothirds\n\n c_atm = max( cgridl1( n ), 1.0e-30 )\n f_stom = 0.0\n f_cut = 0.0\n f_soil = 0.0\n flux_ag = 0.0\n f_wat = 0.0\n soil_flux = 0.0\n heff_wat = hlconst( H_name_all( s ), tw, effective, hplus_h2o )* 0.08205 * tw\n heff_ap = hlconst( H_name_all( s ), temp_2m, effective, hplus_ap )\n heff = hlconst( H_name_all( s ), temp_2m, effective, hplus )* 0.08205 * temp_2m\n If ( HGBIDI .And. Hg_Hit ) Then\n Call Get_Hg_Comp( Hg_st, Hg_cut, Hg_grnd, Hg_wat, c_atm, heff_wat, heff, r, c )\n End If\n lu_loop: Do l = 1, Tile_Data%n_lufrac\n c_z0 = 0.0\n c_leaf = 0.0\n LU_Emis = 0.0\n If( HGBIDI .And. Hg_Hit) Then\n c_stom = Hg_st\n c_cut = Hg_cut\n c_grnd = Hg_grnd\n c_ll = Hg_grnd\n c_wat = Hg_wat\n Else\n c_stom = 0.0\n c_cut = 0.0\n c_grnd = 0.0\n c_ll = 0.0\n c_wat = 0.0\n End If\n Rb = 0.0\n Rb_leaf= 0.0\n Rst = 0.0\n Rcut = 0.0\n Rg = 0.0\n Rgc = 0.0 \nC land use specific area fraction \n frac_lu = Tile_Data%LUFRAC( c,r,l ) \n If( frac_lu .Gt. 0.0 ) Then\nC land use specific met data\n ustar = MOSAIC_DATA%USTAR( c,r,l )\n lai = MOSAIC_DATA%LAI( c,r,l )\nC land use specific land cover data\n wet = Mosaic_Data%DELTA( c,r,l )\n dry = 1.0 - wet\n veg = MOSAIC_DATA%VEG( c,r,l ) \n no_veg = 1.0 - veg\n l_leaf = Tile_Data%l_width( l )\nC Get Ra\n Ra = MOSAIC_DATA%RA( c,r,l )\n\n!-------------------------------------------------------------------------------------------------\n! Quasi-laminar boundary layer resistance\n!-------------------------------------------------------------------------------------------------\n Rb = Calc_Rbw( ustar, scc_pr_23 )\n!-------------------------------------------------------------------------------------------------\n! Air-water exchange\n!-------------------------------------------------------------------------------------------------\n If( Water( l ) ) Then\n!-------------------------------------------------------------------------------------------------\n! Resistance to surface water\n!-------------------------------------------------------------------------------------------------\n Rwat = Calc_Rwater( ustar, q_2m, temp_2m, temp_g, tw, LeBasM( s ), heff_wat, O3_hit, \n & Hg_hit, sea_ice )\n\n If(c_wat .Gt. 0.0 ) Then\n LU_Emis = c_wat / ( Ra + Rb + Rwat )\n End If\n\n Tile_Data%Lu_Vd( c,r,n,l ) = 1.0 / ( Ra + Rb + Rwat ) \n f_wat = f_wat + frac_lu * ( c_wat - c_atm ) / ( Ra + Rb + Rwat ) \n Else \n!-------------------------------------------------------------------------------------------------\n! Air-land exchange\n!-------------------------------------------------------------------------------------------------\n! Resistance to air-canopy exchange\n!-------------------------------------------------------------------------------------------------\nC Calculate Rst\n If( lai .Gt. 0.0 ) Then\n!-------------------------------------------------------------------------------------------------\n! Quasi Laminar Resistance to leaf \n!-------------------------------------------------------------------------------------------------\n Rb_leaf = Calc_Rb_leaf( k_vis, dif_T, ustar, l_leaf, lai )\n!-------------------------------------------------------------------------------------------------\n! Resistance to air-stomatal exchange\n!-------------------------------------------------------------------------------------------------\n Rst = Calc_Rst( Mosaic_Data%RSTW( c,r,l ), dwat_T, dif_T, heff_ap, f0( s ), lai )\n\n!-------------------------------------------------------------------------------------------------\n! Resistance to air-cuticle exchange\n!-------------------------------------------------------------------------------------------------\n Rcut = Calc_Rcut( temp_g, rel_rx(s), molwt_all( s ), M_ac( s ), heff, dif_T, \n & a_cut( l ), snow, no_snow, dry, wet, rh, lai, O3_hit, NH3_hit, ABFLUX )\n\n!-------------------------------------------------------------------------------------------------\n! Resistance to air-canopy covered soil exchange\n!-------------------------------------------------------------------------------------------------\n Else ! LAI = 0.0\n Rst = 1.0e6\n Rcut = 1.0e6\n Rb_leaf = 1.0e6\n End If ! LAI \n!-------------------------------------------------------------------------------------------------\n! Resistance to air-base soil exchange\n!-------------------------------------------------------------------------------------------------\n If( ABFLUX .And. NH3_Hit ) Then\n Call Get_NH3_Comp( c_stom, c_ll, c_grnd, dif_T, r, c, l, l_ag ) ! Quasi Laminar Boundary Layer resistance\n End If ! ABFLUX and NH3\n\n Rgc = Calc_Rg( dif_T, k_vis, rel_rx( s ), Ra, ustar, lai, temp_g, molwt_all( s ), M_ac( s ), \n & heff, sm_v1cm,sm_v5cm, sm_vsat, sm_vfc, sm_vwlt, sm_vres, sm_bslp, zsoil1,\n & ir_frac, dry, wet, snow, no_snow, O3_Hit, NH3_Hit, ABFLUX )\n\n Rg = Calc_Rg( dif_T, k_vis, rel_rx( s ), Ra, ustar, 0.0, temp_g, molwt_all( s ), M_ac( s ), \n & heff, sm_v1cm,sm_v5cm, sm_vsat, sm_vfc, sm_vwlt, sm_vres, sm_bslp, zsoil1,\n & ir_frac, dry, wet, snow, no_snow, O3_Hit, NH3_Hit, ABFLUX )\n\n!-------------------------------------------------------------------------------------------------\n! Calculate the compensation points following Nimitz et al 2001\n!-------------------------------------------------------------------------------------------------\n! Leaf compensation point\n!-------------------------------------------------------------------------------------------------\n c_leaf = (c_atm/(Ra*Rb_leaf)+ ! Atmospheric Component\n & c_stom*(1.0/(Ra*Rst)+1.0/(Rb_leaf*Rst)+1.0/(Rgc*Rst))+ ! Stomatal Component\n & c_cut*(1.0/(Ra*Rcut)+1.0/(Rb_leaf*Rcut)+1.0/(Rgc*Rcut))+ ! Cuticular Component\n & c_ll/(Rb_leaf*Rgc))/ ! Under Canopy Surface Component\n & (1.0/(Ra*Rb_leaf) +1.0/(Ra*Rst) +1.0/(Ra*Rcut)+1.0/(Rb_leaf*Rgc)+1.0/(Rb_leaf*Rcut) + \n & 1.0/(Rb_leaf*Rst)+1.0/(Rgc*Rst)+1.0/(Rgc*Rcut)) ! Least common denominator\n!-------------------------------------------------------------------------------------------------\n! Compensation point at z0\n!-------------------------------------------------------------------------------------------------\n c_z0 = (c_atm/Ra+c_leaf/Rb_leaf+c_ll/Rgc)/(1.0/Ra+1.0/Rb_leaf+1.0/Rgc) \n!-------------------------------------------------------------------------------------------------\n! Estimate air-surface flux\n!------------------------------------------------------------------------------------------------- \n! positive values for deposition \n LU_Flux = veg * (c_atm-c_z0)/Ra + ! air-vegetation flux\n & no_veg * (c_atm-c_grnd)/( Ra + Rg ) ! air-soil flux\n!-------------------------------------------------------------------------------------------------\n! Deposition velocity\n!------------------------------------------------------------------------------------------------- \n vd = veg / (Ra + 1.0/(1.0/(Rb_leaf+1.0/(1.0/Rcut+1.0/Rst))+1.0/Rgc)) +\n & no_veg / (Ra + Rg)\n!-------------------------------------------------------------------------------------------------\n! NH3 bidirectional exchange diagnostic fluxes\n!------------------------------------------------------------------------------------------------- \n If(ABFLUX .And. NH3_Hit ) Then \n If( Ag( l ) ) Then\n soil_flux = soil_flux + veg * ( c_ll - c_z0 ) / Rgc\n & + no_veg * ( c_grnd - c_atm ) / ( Ra + Rg ) \n End If\n End If ! ABFLUX and NH3\n If( c_stom .Gt. 0.0 .Or. c_cut .Gt. 0.0 .Or. c_grnd .Gt. 0.0 .Or. c_ll .Gt. 0.0 ) Then\n!-------------------------------------------------------------------------------------------------\n! Bidirectional exchange\n!------------------------------------------------------------------------------------------------- \n LU_Emis = max( vd * c_atm - LU_Flux, 0.0 ) ! should always be greater than 0\n Tile_Data%Lu_Vd( c,r,n,l ) = vd ! Deposition velocity\n f_soil = f_soil + frac_lu * ( veg * ( ( c_ll - c_z0 ) / Rgc ) + ! LU_Flux = f_soil + f_stom + f_cut\n & no_veg * (c_grnd - c_atm)/( Ra + Rg ) ) ! air-soil exchange\n f_stom = f_stom + frac_lu * veg * ( c_stom - c_leaf ) / Rst ! air-stomatal exchange\n f_cut = f_cut + frac_lu * veg * ( c_cut - c_leaf ) / Rcut ! air-cuticular exchange\n Else\n!-------------------------------------------------------------------------------------------------\n! Non bidirectional exchange\n!------------------------------------------------------------------------------------------------- \n Tile_Data%Lu_Vd( c,r,n,l ) = vd\n End If ! compensation points greater than 0\n End If ! Water \n! Generalization of the production and deposition velocity terms\n Tile_Data%Bidi_Emis( C, R, n ) = Tile_Data%Bidi_Emis( C, R, n ) + \n & frac_lu * LU_Emis\n Tile_Data%Grd_Vd( C, R, n ) = Tile_Data%Grd_Vd( C, R, n ) + \n & frac_lu * Tile_Data%Lu_Vd( c,r,n,l )\n End If ! frac_lu > 0\n\n End Do lu_loop\n If(ABFLUX .And. NH3_Hit ) Then\n If( sum(Tile_Data%LUFRAC(c,r,:),mask=Ag) .Gt. 0.0 ) Then \n Call Calc_Nitrif ( TStep, C, R, l_ag, soil_flux )\n End If\n End If\n If(HGBIDI .And. Hg_Hit ) Then\n flux_hgII = 0.0 \n! negative values are deposition fluxes\n flux_hgII = -Sum( Tile_Data%Lu_Vd( c,r,n_HgII,: ) * Tile_Data%LUFRAC( c,r,: ), mask = WATER)\n\n Call Hg_Surf_Update ( f_stom, f_cut, f_soil, f_wat, flux_hgII, \n & Heff_wat, Heff, TStep, c, r, Jdate, Jtime )\n End If\nC--------------------------------------------------------------------------\n IF ( sfc_hono ) THEN\n\nC HONO production via heterogeneous reaction on ground surfaces,\nC 2NO2 = HONO + HNO3\nC Rate constant for the reaction = (3.0E-3/60)* (A/V),\nC where A/V is surface area/volume ratio\nC HONO is produced and released into the atmosphere\nC NO2 is lost via chemical reaction\nC HNO3 is sticky and stays on the surfaces\n\nC Calculate A/V for leaves.\nC LAI was multiplied by 2 to account for the fact that surface area\nC is provided by both sides of the leaves.\nC Matthew Jones, Ammonia deposition to semi-natural vegetation,\nC PhD dissertation, University of Dundee, Scotland, 2006\n\n surf_leaf = 2.0 * MET_DATA%LAI( c,r ) / MET_DATA%ZF( c,r,1 )\n\nC Calculate A/V for buildings and other structures.\nC Buildings and other structures can provide additional surfaces in\nC urban areas for the heterogeneous reaction to occur. However, such\nC information is not readily available; in the absence of such information,\nC it is scaled to purb(c,r). Svensson et al., (1987) suggests a typical value\nC of 0.2 for A/V for buildings in urban environments. A maximum value of 0.2\nC for A/V for buildings is assigned to the grid cell containing the highest\nC purb(c,r) i.e., 100.0. A/V for buildings for other grid-cell is calculated\nC as purb(c,r)*(0.2/100.0); Cai et al. (2006) used a value of 1.0 for their\nC study at New York (total A/V)\n\n surf_bldg = GRID_DATA%PURB( c,r ) * 0.002\n\nC Calculate rate constant for the reaction (pseudo-first order reaction,\nC unit per second). Calculate pseudo-first order rate constant using Eq 1\nC of Vogel et al. (2003). Unit of KNO2 is in 1/min in the paper; divide it\nC by 60 to convert it into 1/sec.\n\n kno2 = MAX( 0.0, 5.0E-5 * (surf_leaf + surf_bldg) )\n\nC Determine NO2 concentration needed for HONO production term.\n\n IF ( s .EQ. s_NO2 ) THEN\n conc_no2 = cgridl1( n )\n\n END IF\nC Calculate production (bidi_emis) for HONO; unit = ppm * m/s\n IF ( s .EQ. s_HONO ) Then\n Tile_Data%Bidi_Emis( C, R, n ) = kno2 * conc_no2 * MET_DATA%ZF( c,r,1 )\n END IF \n END IF\n\n ! Check for negative values or NaN's \n if(isnan(Tile_Data%Bidi_Emis( C, R, n ))) write(logdev,*) 'NaN in ',vd_name( s ),' production term'\n if(isnan(Tile_Data%Grd_Vd( C, R, n ))) write(logdev,*) 'NaN in ',vd_name( s ),' Vd term'\n NH3_hit = .False.\n O3_hit = .False.\n Hg_hit = .False.\n End If \n End Do spc_loop\n\n Return \n END SUBROUTINE GAS_X\n\n SUBROUTINE AERO_X(CGRID, C, R )\n\nC *** Calculate deposition velocity for Aitken, accumulation, and\nC coarse modes.\nC Reference:\nC Binkowski F. S., and U. Shankar, The regional particulate\nC model 1. Model description and preliminary results.\nC J. Geophys. Res., 100, D12, 26191-26209, 1995.\n \nC May 05 D.Schwede: added impaction term to coarse mode dry deposition\nC 25 May 05 J.Pleim: Updated dry dep velocity calculation for aerosols\nC to Venkatram and Pleim (1999)\nC 20 Jul 05 J.Pleim: Changed impaction term using modal integration of\nC Stokes**2 / 400 (Giorgi, 1986, JGR)\nC 14 Apr 08 J.Kelly: Added code to calculate deposition velocity of\nC coarse surface area and to account for variable\nC standard deviation of the coarse mode.\nC 08 Sep 08 P.Bhave: Backward compatibility with AE4 mechanisms\nC standardized names of all coarse-mode variables\nC-----------------------------------------------------------------------\n\n USE AERO_DATA ! aero variable data \n USE AEROMET_DATA ! Includes CONST.EXT\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE RXNS_DATA ! chemical mechanism data\n Use MOSAIC_MOD, Only: Tile_Data \n Use Resist_Funcs, Only: Aero_Depv, Aero_Depv_E20, Aero_Depv_P22\n\n IMPLICIT NONE\n\nC Includes:\n\n INCLUDE SUBST_FILES_ID ! file name parameters\n\nC Arguments\n REAL, POINTER :: CGRID( :,:,:,: )\n INTEGER, INTENT( IN ) :: C,R ! Column and Row\n\nC *** array indices hardcoded to match SUBROUTINE AERO_DEPV\n INTEGER, PARAMETER, DIMENSION( 3 ) :: \n & VDN = (/ 1,2,3 /) , \n & VDM = (/ 4,5,6 /) , \n & VDS = (/ 7,8,9 /) \n\nC Meteorological variables\n\n CHARACTER( 16 ), SAVE :: AE_VRSN ! Aerosol version name\n\n INTEGER, SAVE :: NCELLS ! number of cells per layer\n\n REAL, SAVE :: XLM ! mean free path [ m ]\n REAL, SAVE :: AMU ! dynamic viscosity [ kg m**-1 s**-1 ]\n\n REAL M3_WET, M3SUBT, M3_DRY\n REAL M2_WET, M2_DRY\n\n CHARACTER( 16 ), SAVE :: PNAME = 'AERO_X'\n CHARACTER( 16 ) :: VNAME ! variable name\n CHARACTER( 96 ) :: XMSG = ' '\n\n INTEGER V, N, L, NDX ! loop counters\n INTEGER n_diag\n INTEGER SPC, S ! species loop counter\n INTEGER ALLOCSTAT\n\nC modal Knudsen numbers\n REAL KN\n\nC modal particle diffusivities for number, 2nd, and 3rd moment, or mass:\n REAL DCHAT0\n REAL DCHAT2\n REAL DCHAT3\n\nC modal sedimentation velocities for number, 2nd, and 3rd moment, or mass:\n REAL VGHAT0\n REAL VGHAT2\n REAL VGHAT3\n\n INTEGER NCELL, J, IM\n\n REAL DCONST, DCONST1\n REAL DCONST2, DCONST3\n REAL EINHAT0, EINHAT2, EINHAT3 ! Interception integration terms\n REAL SC0 ! Schmidt numbers for number\n REAL SC2 ! Schmidt numbers for 2ND MOMENT\n REAL SC3 ! Schmidt numbers for 3rd moment\n REAL NU ! kinematic viscosity [ m**2 s**-1 ]\n REAL TWOXLM ! 2 X atmospheric mean free path\n REAL Ra, Ustar, lai ! Land use specific environmental variables\n REAL Ubar, SeaIce, SST ! Grid scale meteorological variables\n REAL Lu_frac, Veg, wet ! Land use and vegetation coverage fraction\n REAL l_width, Alpha ! Emerson et al. 2020 land use variables\n REAL BAI, Ahair, Fhair, Aleaf ! Pleim et al. 2022 land use variables\n\nC Parameters\n REAL, PARAMETER :: BHAT = 1.246 ! Slope of the linearized Cunningham slip correction \n REAL, PARAMETER :: IHAT = 0.8473 ! Intercept of the linearized Cunningham slip correction \n REAL, PARAMETER :: T0 = 288.15 ! [ K ] ! starting standard surface temp.\n REAL, PARAMETER :: THREEPI = 3.0 * PI\n\nC Scalar variables for VARIABLE standard deviations.\n\n REAL L2SG\n\n REAL E1 ! mode exp( log^2( sigmag )/8 )\n REAL ES04 ! \" **4\n REAL ES08 ! \" **8\n REAL ES12 ! \" **12\n REAL ES16 ! \" **16\n REAL ES20 ! \" **20\n REAL ES28 ! \" **28\n REAL ES32 ! \" **32\n REAL ES36 ! \" **36\n REAL ES48 ! \" **48\n REAL ES64 ! \" **64\n REAL ESM12 ! \" **(-12)\n REAL ESM16 ! \" **(-16)\n REAL ESM20 ! \" **(-20)\n REAL ESM32 ! \" **(-32)\n\nC-----------------------------------------------------------------------\n\n VDEP = 0.0 ! array assignment\n VDEPJ = 0.0 ! array assignment\n\nC *** Set meteorological data for the grid cell.\n AIRDENS = Met_Data%DENS1( C,R )\n AIRTEMP = Met_Data%TEMP2( C,R )\n AIRPRES = Met_Data%PRSFC( C,R )\n Ubar = Met_Data%WSPD10( C,R )\n SeaIce = Met_Data%SEAICE( C,R )\n SST = Met_Data%TSEASFC( C,R ) - 273.15\n\nC *** extract grid cell concentrations of aero species from CGRID\nC into aerospc_conc in aero_data module\nC Also determines second moment from surface area and adds wet\nC species\n CALL EXTRACT_AERO( CGRID( C,R,1,: ), .TRUE. )\n\nC *** Calculate geometric mean diameters and standard deviations of the\nC \"wet\" size distribution\n CALL GETPAR( .FALSE. ) \n\nC Save getpar values to arrays\n DO IM = 1,N_MODE\n XXLSG( IM ) = AEROMODE_LNSG( IM ) \n DG( IM ) = AEROMODE_DIAM( IM )\n PDENS( IM ) = AEROMODE_DENS( IM )\n END DO\n \nC Calculate mean free path [ m ]:\n XLM = 6.6328E-8 * STDATMPA * AIRTEMP / ( T0 * AIRPRES )\n\nC *** Calculate dynamic and kinematic viscosity [ kg m**-1 s**-1 ]:\n AMU = 1.458E-6 * AIRTEMP * SQRT( AIRTEMP )\n & / ( AIRTEMP + 110.4 )\n NU = AMU / Met_Data%DENS1( C,R ) \n\nC *** Calculate Knudsen numbers\n TWOXLM = XLM + XLM\n DO IM = 1, N_MODE\n KN = TWOXLM / DG( IM )\n\nC *** Calculate functions of variable standard deviation.\n\n L2SG = XXLSG( IM ) ** 2\n \n E1 = EXP( 0.125 * L2SG )\n ES04 = E1 ** 4\n ES08 = ES04 ** 2\n ES12 = ES04 * ES08\n ES16 = ES08 ** 2\n ES20 = ES16 * ES04\n ES28 = ES20 * ES08\n ES32 = ES16 ** 2\n ES36 = ES16 * ES20\n ES48 = ES36 * ES12\n ES64 = ES32 ** 2\n\nC *** calculate inverses:\n\n ESM12 = 1.0 / ES12\n ESM16 = 1.0 / ES16\n ESM20 = 1.0 / ES20\n ESM32 = 1.0 / ES32\n\n DCONST = BOLTZMANN * Met_Data%TEMP2( C,R ) / ( THREEPI * AMU )\n DCONST1 = DCONST / DG( IM )\n\n DCONST2 = GRAV / ( 18.0 * AMU )\n DCONST3 = DCONST2 * PDENS( IM ) * DG( IM ) ** 2 ! Gravitational settling \nC Calculate characteristic parameters\n DCHAT0 = DCONST1 * ( ES04 + BHAT * KN * ES16 )\n DCHAT2 = DCONST1 * ( ESM12 + BHAT * KN * ESM16 )\n DCHAT3 = DCONST1 * ( ESM20 + BHAT * KN * ESM32 )\n VGHAT0 = DCONST3 * ( ES16 + BHAT * KN * ES04 )\n VGHAT2 = DCONST3 * ( ES48 + BHAT * KN * ES20 )\n VGHAT3 = DCONST3 * ( ES64 + BHAT * KN * ES28 ) \n\nC Integrated Emerson et al 2020 Interception term.\n EINHAT0 = EXP(L2SG*((0.64)/2.0))\n EINHAT2 = EXP(L2SG*((1.6*2.0 + 0.64)/2.0))\n EINHAT3 = EXP(L2SG*((1.6*3.0 + 0.64)/2.0))\n\n SC0 = NU / DCHAT0\n SC2 = NU / DCHAT2 \n SC3 = NU / DCHAT3\n\n\n lu_loop: DO L = 1, Tile_Data%n_lufrac\nC *** Land use parameters\n Veg = Mosaic_Data%VEG( C,R,L )\n wet = Mosaic_Data%DELTA( c,r,l )\n Ustar = Mosaic_Data%USTAR( C,R,L )\n lai = Mosaic_Data%LAI( C,R,L )\n Ra = Mosaic_Data%RA( C,R,L )\n lu_frac = Tile_Data%LUFRAC( C,R,L )\n l_width = Tile_Data%l_width( L )\n Alpha = Tile_Data%Alpha( L )\n BAI = Tile_Data%BAI( L )\n Ahair = Tile_Data%Ahair( L )\n Fhair = Tile_Data%Fhair( L )\n Aleaf = Tile_Data%Aleaf( L )\n IF( water( L ) ) wet = 1.0\n IF ( lu_frac .Eq. 0.0 ) Cycle lu_loop\n\nC now calculate the deposition velocities\n\nC Parallel conductances are additive. Thus, the vegetated and non-vegetated deposition velocities are added. \nC first do 0th moment (number), second do 2nd moment (surface area), third do 3rd moment (mass)\nC Emerson et al 2020 PNAS https://www.pnas.org/cgi/doi/10.1073/pnas.2014761117\n If( STAGE_E20 ) Then\n VDEPJ( L,VDN( IM ) ) = aero_depv_e20(veg, lai, Ustar, Ra, wet, l_width, Alpha, \n & DG(IM), SC0, NU, VGHAT0, EINHAT0 ) ! Number\n VDEPJ( L,VDS( IM ) ) = aero_depv_e20(veg, lai, Ustar, Ra, wet, l_width, Alpha,\n & DG(IM), SC2, NU, VGHAT2, EINHAT2 ) ! Surface area\n VDEPJ( L,VDM( IM ) ) = aero_depv_e20(veg, lai, Ustar, Ra, wet, l_width, Alpha, \n & DG(IM), SC3, NU, VGHAT3, EINHAT3 ) ! Mass\nC Pleim et al 2022\n Else If( STAGE_P22 ) Then \n VDEPJ( L,VDN( IM ) ) = aero_depv_p22(veg, lai, BAI, Ustar, Ubar, Ra, Water(L), Aleaf, \n & Ahair, Fhair, SC0, NU, VGHAT0, SeaIce, SST ) ! Number\n VDEPJ( L,VDS( IM ) ) = aero_depv_p22(veg, lai, BAI, Ustar, Ubar, Ra, Water(L), Aleaf, \n & Ahair, Fhair, SC2, NU, VGHAT2, SeaIce, SST ) ! Surface area\n VDEPJ( L,VDM( IM ) ) = aero_depv_p22(veg, lai, BAI, Ustar, Ubar, Ra, Water(L), Aleaf, \n & Ahair, Fhair, SC3, NU, VGHAT3, SeaIce, SST ) ! Mass\n Else\nC CMAQ v5.3\n VDEPJ( L,VDN( IM ) ) = aero_depv(veg, Ra, VGHAT0, Ustar, SC0, NU, l_width, lai ) ! Number\n VDEPJ( L,VDS( IM ) ) = aero_depv(veg, Ra, VGHAT2, Ustar, SC2, NU, l_width, lai ) ! Surface area\n VDEPJ( L,VDM( IM ) ) = aero_depv(veg, Ra, VGHAT3, Ustar, SC3, NU, l_width, lai ) ! Mass\n End If\n\nC now integrate to the area weighted grid cell\n VDEP( VDN( IM ) ) = VDEP( VDN( IM ) ) + Lu_Frac * VDEPJ( L,VDN( IM ) ) ! Number\n VDEP( VDS( IM ) ) = VDEP( VDS( IM ) ) + Lu_Frac * VDEPJ( L,VDS( IM ) ) ! Surface area\n VDEP( VDM( IM ) ) = VDEP( VDM( IM ) ) + Lu_Frac * VDEPJ( L,VDM( IM ) ) ! Mass\n\n END DO lu_loop ! Tile_Data%n_lufrac\n END DO ! aerosol mode\n\nC Return dry deposition velocities for aerosols (first layer only).\n n_diag = 0\n DO V = 1, N_AE_DEPV\n NDX = N_GC_DEPV + N_NR_DEPV + N_TR_DEPV + V\n IF ( DEPV_SUR( V ) .GT. 0 ) THEN\n Tile_Data%Grd_Vd( C,R,NDX ) = VDEP( DEPV_SUR( V ) ) \n Tile_Data%Lu_Vd( C,R,NDX,: ) = VDEPJ( :,DEPV_SUR( V ) )\n ELSE\n Tile_Data%Grd_Vd( C,R,NDX ) = 0.0\n Tile_Data%Lu_Vd( C,R,NDX,: ) = 0.0 \n END IF \n END DO\n \n Return\n END SUBROUTINE AERO_X\n\n END MODULE STAGE_MOD\n" }, { "path": "CCTM/src/depv/stage/STAGE_OUTPUT.F", "content": "!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n MODULE STAGE_OUTPUT\n\nC-----------------------------------------------------------------------\nC Function: Collection of ouput routines for STAGE deposition velocities\nC and dry deposition\nC-----------------------------------------------------------------------\n USE RUNTIME_VARS, Only: MOSAIC\n \n Contains \n Pure Function Write_time( WSTEP, TSTEP ) Result( Write_now ) \n\n Implicit None\n\n Integer, Intent( IN ) :: WSTEP\n Integer, Intent( IN ) :: TSTEP\n Logical :: Write_now \n \n If( WSTEP .Ge. TSTEP ) Then\n Write_now = .TRUE.\n Else \n Write_now = .FALSE.\n End If\n\n End Function Write_time\n\n Subroutine Open_depv( DATE, TIME, TSTEP )\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE CGRID_SPCS ! CGRID mechanism species\n USE STAGE_DATA\n USE UTILIO_DEFN\n USE MOSAIC_MOD, Only: Tile_Data\n\n IMPLICIT NONE\n \n INCLUDE SUBST_FILES_ID ! file name parameters\n\nC Arguments:\n\n INTEGER, INTENT( IN ) :: DATE ! current model date, coded YYYYDDD\n INTEGER, INTENT( IN ) :: TIME ! current model time, coded HHMMSS\n INTEGER, INTENT( IN ) :: TSTEP ! output time step\n\nC Local variables:\n\n CHARACTER( 16 ) :: PNAME = 'OPSTAGE_DEPV'\n CHARACTER( 16 ) :: VNAME ! scratch string\n CHARACTER( 96 ) :: XMSG = ' '\n\n INTEGER N_Vars\n INTEGER V, N, L ! loop induction variables\n\n SDATE3D = DATE\n STIME3D = TIME\n TSTEP3D = TSTEP\n CALL NEXTIME( SDATE3D, STIME3D, TSTEP3D ) ! start the next hour\n\n FTYPE3D = GRDDED3\n NCOLS3D = GL_NCOLS\n NROWS3D = GL_NROWS\n NTHIK3D = 1\n GDTYP3D = GDTYP_GD\n P_ALP3D = P_ALP_GD\n P_BET3D = P_BET_GD \n P_GAM3D = P_GAM_GD\n XORIG3D = XORIG_GD\n YORIG3D = YORIG_GD\n XCENT3D = XCENT_GD\n YCENT3D = YCENT_GD\n XCELL3D = XCELL_GD\n YCELL3D = YCELL_GD\n VGTYP3D = VGTYP_GD\n VGTOP3D = VGTOP_GD\n GDNAM3D = GRID_NAME ! from HGRD_DEFN\n\n FDESC3D = ' ' ! array\n\n L = LEN_TRIM( DEPV_METHOD )\n FDESC3D( 1 ) = 'Instanteous values of land use specific'\n & // ' resistances and conductances:'\n & // ' these parameters are' \n FDESC3D( 2 ) = 'estimated by the '\n & // DEPV_METHOD( 1:L ) // ' algorithm.'\n\n IF ( .NOT. OPEN3( CTM_DEPV_DIAG, FSRDWR3, PNAME ) ) THEN\n\n XMSG = 'Could not open ' // CTM_DEPV_DIAG // ' file for update - '\n & // 'try to open new'\n CALL M3MESG( XMSG )\n\nC Set output file characteristics based on GRIDDESC and open the dep velocity dignostic file\n NVARS3D = Tile_Data%n_Vd\n NLAYS3D = 1\n DO L = 1, NLAYS3D + 1\n VGLVS3D( L ) = VGLVS_GD( L )\n END DO\n\n N = 0\n DO V = 1, N_SPC_DEPV\n If( Tile_Data%Vd_Out( V ) ) Then\n\n N = N + 1 \n VNAME = trim( Tile_Data%Vd_Name( V ) )\n VTYPE3D( N ) = M3REAL\n VNAME3D( N ) = VNAME\n UNITS3D( N ) = 'cm s-1'\n VDESC3D( N ) = 'Dry deposition velocity'\n\n End If\n END DO\n\nC Open diagnostic file, then close it for subsequent open by all processors\n\n IF ( .NOT. OPEN3( CTM_DEPV_DIAG, FSNEW3, PNAME ) ) THEN\n XMSG = 'Could not create '// TRIM( CTM_DEPV_DIAG ) // ' file'\n CALL M3EXIT( PNAME, DATE, TIME, XMSG, XSTAT1 )\n END IF\n\n END IF\n\n IF ( MOSAIC .AND. .NOT. OPEN3( CTM_DEPV_MOS, FSRDWR3, PNAME ) ) THEN\n\n XMSG = 'Could not open ' // CTM_DEPV_MOS // ' file for update - '\n & // 'try to open new'\n CALL M3MESG( XMSG )\n\nC Set output file characteristics based on GRIDDESC and open the dep velocity dignostic file\n NVARS3D = Tile_Data%n_Vd + 7\n NLAYS3D = Tile_Data%N_LUFRAC ! preempting normal use of vertical layers\n\n N = 0\n N = N + 1 ! 1\n VTYPE3D( N ) = M3REAL\n VNAME3D( N ) = 'RA'\n UNITS3D( N ) = 's m-1'\n VDESC3D( N ) = 'aerodynamic resistance for land use category'\n\n N = N + 1 ! 2\n VTYPE3D( N ) = M3REAL\n VNAME3D( N ) = 'LUFRAC'\n UNITS3D( N ) = 'dimensionless'\n VDESC3D( N ) = 'Fractional land use'\n\n N = N + 1 ! 3\n VTYPE3D( N ) = M3REAL\n VNAME3D( N ) = 'LAI'\n UNITS3D( N ) = 'dimensionless'\n VDESC3D( N ) = 'leaf area index for land use category'\n\n N = N + 1 ! 4\n VTYPE3D( N ) = M3REAL\n VNAME3D( N ) = 'USTAR'\n UNITS3D( N ) = 'm s-1'\n VDESC3D( N ) = 'friction velocity for land use category'\n\n N = N + 1 ! 5\n VTYPE3D( N ) = M3REAL\n VNAME3D( N ) = 'Z0'\n UNITS3D( N ) = 'm'\n VDESC3D( N ) = 'surface roughness for land use category'\n\n N = N + 1 ! 6\n VTYPE3D( N ) = M3REAL\n VNAME3D( N ) = 'RST'\n UNITS3D( N ) = 's m-1'\n VDESC3D( N ) = 'Stomatal resistance to water vapor'\n\n N = N + 1 ! 7\n VTYPE3D( N ) = M3REAL\n VNAME3D( N ) = 'VEG'\n UNITS3D( N ) = 'ratio'\n VDESC3D( N ) = 'Vegetation coverage'\n\n DO V = 1, N_SPC_DEPV\n If( Tile_Data%Vd_Out( V ) ) Then\n\n N = N + 1 \n VNAME = trim( Tile_Data%Vd_Name( V ) )\n VTYPE3D( N ) = M3REAL\n VNAME3D( N ) = VNAME\n UNITS3D( N ) = 'cm s-1'\n VDESC3D( N ) = 'Dry deposition velocity'\n\n End If\n END DO\n \nC Open diagnostic file\n\n IF ( .NOT. OPEN3( CTM_DEPV_MOS, FSNEW3, PNAME ) ) THEN\n XMSG = 'Could not create '// TRIM( CTM_DEPV_MOS) // ' file'\n CALL M3EXIT( PNAME, DATE, TIME, XMSG, XSTAT1 )\n END IF\n\n END IF\n Return\n End Subroutine Open_depv\n\n Subroutine Write_depv( DATE, TIME )\n\n USE CGRID_SPCS, ONLY : N_SPC_DEPV\n USE HGRD_DEFN\n USE UTILIO_DEFN\n USE MOSAIC_MOD, Only: Tile_Data\n USE ASX_DATA_MOD, Only: MOSAIC_DATA\n\n Implicit None \n\n Integer, Intent( IN ) :: DATE\n Integer, Intent( IN ) :: TIME\n! Real, Intent( IN ) :: DEPV(:,:,:)\n\n Integer :: N\n\n CHARACTER( 16 ) :: PNAME = 'WRITE_DEPV'\n CHARACTER( 120 ) :: XMSG = ' '\n \n INCLUDE SUBST_FILES_ID ! file name parameters\n\n DO N = 1, N_SPC_DEPV\n If( Tile_Data%Vd_Out( N ) ) Then\n IF ( .NOT. WRITE3( CTM_DEPV_DIAG, trim( Tile_Data%Vd_Name( N ) ),\n & DATE, TIME, Tile_Data%Grd_Vd(:,:,N)*100.0 ) ) THEN\n XMSG = 'Could not write ' // CTM_DEPV_DIAG // ' file'\n CALL M3EXIT ( PNAME, DATE, TIME, XMSG, XSTAT1 )\n END IF\n End If\n END DO\n\n IF ( MOSAIC ) THEN\n\n\n!-----------------------------------------------------------------------------------------!\n! STAGE Diagnostic Output !\n!-----------------------------------------------------------------------------------------!\n\n IF ( .NOT. WRITE3( CTM_DEPV_MOS, 'LUFRAC',\n & DATE, TIME, Tile_Data%LUFRAC ) ) THEN\n XMSG = 'Could not write ' // CTM_DEPV_MOS // ' file'\n CALL M3EXIT ( PNAME, DATE, TIME, XMSG, XSTAT1 )\n END IF\n\n\n IF ( .NOT. WRITE3( CTM_DEPV_MOS, 'RA',\n & DATE, TIME, MOSAIC_DATA%RA ) ) THEN\n XMSG = 'Could not write ' // CTM_DEPV_MOS // ' file'\n CALL M3EXIT ( PNAME, DATE, TIME, XMSG, XSTAT1 )\n END IF\n\n IF ( .NOT. WRITE3( CTM_DEPV_MOS, 'RST',\n & DATE, TIME, Mosaic_Data%RSTW ) ) THEN\n XMSG = 'Could not write ' // CTM_DEPV_MOS // ' file'\n CALL M3EXIT ( PNAME, DATE, TIME, XMSG, XSTAT1 )\n END IF\n\n IF ( .NOT. WRITE3( CTM_DEPV_MOS, 'LAI',\n & DATE, TIME, MOSAIC_DATA%LAI ) ) THEN\n XMSG = 'Could not write ' // CTM_DEPV_MOS // ' file'\n CALL M3EXIT ( PNAME, DATE, TIME, XMSG, XSTAT1 )\n END IF\n\n IF ( .NOT. WRITE3( CTM_DEPV_MOS, 'USTAR',\n & DATE, TIME, MOSAIC_DATA%USTAR ) ) THEN\n XMSG = 'Could not write ' // CTM_DEPV_MOS // ' file'\n CALL M3EXIT ( PNAME, DATE, TIME, XMSG, XSTAT1 )\n END IF\n\n IF ( .NOT. WRITE3( CTM_DEPV_MOS, 'Z0',\n & DATE, TIME, MOSAIC_DATA%Z0 ) ) THEN\n XMSG = 'Could not write ' // CTM_DEPV_MOS // ' file'\n CALL M3EXIT ( PNAME, DATE, TIME, XMSG, XSTAT1 )\n END IF\n\n IF ( .NOT. WRITE3( CTM_DEPV_MOS, 'VEG',\n & DATE, TIME, MOSAIC_DATA%VEG ) ) THEN\n XMSG = 'Could not write ' // CTM_DEPV_MOS // ' file'\n CALL M3EXIT ( PNAME, DATE, TIME, XMSG, XSTAT1 )\n END IF\n\n DO N = 1, N_SPC_DEPV\n If( Tile_Data%Vd_Out( N ) ) Then\n IF ( .NOT. WRITE3( CTM_DEPV_MOS, \n & trim( Tile_Data%Vd_Name( N ) ),\n & DATE, TIME, Tile_Data%Lu_Vd(:,:,N,:)*100.0 ) ) THEN\n XMSG = 'Could not write ' // CTM_DEPV_MOS // ' file'\n CALL M3EXIT ( PNAME, DATE, TIME, XMSG, XSTAT1 )\n End If\n End If\n END DO\n End If\n\n End Subroutine Write_depv\n\n End Module STAGE_OUTPUT\n \n" }, { "path": "CCTM/src/depv/stage/depv_data_module.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n!------------------------------------------------------------------------!\n! This module contains key component from NH3_BIDI_MOD.F to facilitate \n! centralized I/O implementation by avoiding cyclic data dependence\n\n! Revision History:\n! 01 Feb 2019 D.Wong initial implementation, \n!------------------------------------------------------------------------!\n\n module depv_data_module\n\n use Bidi_Mod, Only: gamma1, gamma2\n\n implicit none\n\n Integer, Parameter :: e2c_cats = 42 ! number of crop catigories\n\n Real, Allocatable :: Beld_ag ( :,:,: )\n Real, Allocatable :: pHs1 ( :,:,: )\n Real, Allocatable :: pHs2 ( :,:,: )\n Real, Allocatable :: NH4ps1 ( :,:,: ) ! Initial Soil NH4\n Real, Allocatable :: NH4ps2 ( :,:,: ) ! Initial Soil NH4\n\n Real, Allocatable :: Nit1 ( :,:,: ) ! Epic Nitrification layer 1\n Real, Allocatable :: Nit2 ( :,:,: ) ! Epic Nitrification layer 2\n Real, Allocatable :: L1_ON ( :,:,: ) ! Epic Layer 1 organic N\n Real, Allocatable :: L2_ON ( :,:,: ) ! Epic Layer 2 organic N\n\n Real, Allocatable :: GMN ( :,:,: ) ! Epic Layer 1 and 2 N mineralized in Fest-C 1.4\n\n Real, Allocatable :: BDc1 ( :,:,: ) ! crop soil bulk density kg/ha\n Real, Allocatable :: BDc2 ( :,:,: ) ! crop soil bulk density kg/ha \n\n Real, Allocatable :: F1_NH4 ( :,:,: ) ! fertlizer application to layer 1 \n Real, Allocatable :: F2_NH4 ( :,:,: ) ! fertlizer application to layer 2\n\n Real, Allocatable :: L1_ON_Yest ( :,:,: ) ! Epic Layer 1 organic N\n Real, Allocatable :: L2_ON_Yest ( :,:,: ) ! Epic Layer 2 organic N\n Real, Allocatable :: F1_ON ( :,:,: ) ! Epic Layer 1 organic N Fertilization \n Real, Allocatable :: F2_ON ( :,:,: ) ! Epic Layer 2 organic N Fertilization \n\n Character( 20 ) :: Beld_Names( e2c_cats )\n\nC Some compilers do not pad with blank characters in data initialization\nC '12345678901234567890'\n Data Beld_Names / 'Hay ', ! 1\n & 'Hay_ir ', ! 2\n & 'Alfalfa ', ! 3\n & 'Alfalfa_ir ', ! 4\n & 'Other_Grass ', ! 5\n & 'Other_Grass_ir ', ! 6\n & 'Barley ', ! 7\n & 'Barley_ir ', ! 8\n & 'BeansEdible ', ! 9\n & 'BeansEdible_ir ', ! 10\n & 'CornGrain ', ! 11\n & 'CornGrain_ir ', ! 12\n & 'CornSilage ', ! 13\n & 'CornSilage_ir ', ! 14\n & 'Cotton ', ! 15\n & 'Cotton_ir ', ! 16\n & 'Oats ', ! 17\n & 'Oats_ir ', ! 18\n & 'Peanuts ', ! 19\n & 'Peanuts_ir ', ! 20\n & 'Potatoes ', ! 21\n & 'Potatoes_ir ', ! 22\n & 'Rice ', ! 23\n & 'Rice_ir ', ! 24\n & 'Rye ', ! 25\n & 'Rye_ir ', ! 26\n & 'SorghumGrain ', ! 27\n & 'SorghumGrain_ir ', ! 28\n & 'SorghumSilage ', ! 29\n & 'SorghumSilage_ir ', ! 30\n & 'Soybeans ', ! 31\n & 'Soybeans_ir ', ! 32\n & 'Wheat_Spring ', ! 33\n & 'Wheat_Spring_ir ', ! 34\n & 'Wheat_Winter ', ! 35\n & 'Wheat_Winter_ir ', ! 36\n & 'Other_Crop ', ! 37\n & 'Other_Crop_ir ', ! 38\n & 'Canola ', ! 39\n & 'Canola_ir ', ! 40\n & 'Beans ', ! 41\n & 'Beans_ir ' / ! 42\n\n end module depv_data_module\n" }, { "path": "CCTM/src/diag/vertext_module.F", "content": "!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n MODULE VERTEXT_MODULE\n\n USE STD_CONC, ONLY: N_C_GC_SPC, C_GC_SPC, N_C_AE_SPC, C_AE_SPC, \n & N_C_NR_SPC, C_NR_SPC, N_C_TR_SPC, C_TR_SPC,\n & N_CSPCS, L_CONC_RH, L_CONC_TA,\n & L_CONC_PRES\n\n INTEGER :: NVERTEXT\n INTEGER, ALLOCATABLE :: VERTEXTJ(:), VERTEXTI(:), VERT_SEQ(:)\n \n INTEGER :: NVERTEXT_SPCS = 0\n CHARACTER( 16 ), ALLOCATABLE :: VERTEXT_SPCS( : )\n\n! for parallel implementation\n INTEGER :: MY_NVERTEXT\n INTEGER, ALLOCATABLE :: MY_VERTEXTJ(:), MY_VERTEXTI(:), PE_NVERTEXT(:,:)\n\n#ifndef mpas\n PRIVATE :: PWRVEC\n#endif\n\n CONTAINS\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE OPVEXT ( JDATE, JTIME, TSTEP )\n\nC-----------------------------------------------------------------------\nC Function:\nC Create the IO/API netCDF header and open the output VEXT file\n\nC Revision history:\nC 24 Nov 17 B.Henderson: copied from OPCONC.\nC 09 Jan 18 D.Wong: put in parallel implementation\nC 01 Feb 19 D.Wong: removed USE ALLOC_DATA_MODULE clause\nC 09 Sep 19 F. Sidi: Replaced L_CONC_WVEL & L_ACONC_WVEL (depreciated) with W_VEL\nC-----------------------------------------------------------------------\n\n USE GRID_CONF\n USE RUNTIME_VARS, ONLY: LOGDEV, LVEXT, N_CONC_VARS, W_VEL\n USE UTILIO_DEFN\n#ifndef mpas\n#ifdef parallel\n USE SE_MODULES ! stenex (using SE_UTIL_MODULE)\n#else\n USE NOOP_MODULES ! stenex (using NOOP_UTIL_MODULE)\n#endif\n#endif\n\n IMPLICIT NONE\nC INTERFACE\nC SUBROUTINE GET_LONLAT(NVERT, VERTLAT, VERTLON)\nC REAL, ALLOCATABLE, INTENT(INOUT) :: VERTLAT(:), VERTLON(:)\nC INTEGER, INTENT(INOUT) :: NVERT\nC END SUBROUTINE GET_LONLAT\nC END INTERFACE\n\n INCLUDE SUBST_FILES_ID ! file name parameters\n\nC Arguments:\n\n INTEGER, INTENT(IN) :: JDATE ! starting date (YYYYDDD)\n INTEGER, INTENT(IN) :: JTIME ! starting time (HHMMSS)\n INTEGER, INTENT(IN) :: TSTEP ! output timestep (HHMMSS)\n\nC Local Variables:\n\n CHARACTER( 16 ) :: PNAME = 'OPVEXT'\n CHARACTER( 96 ) :: XMSG = ' '\n CHARACTER( 28 ) :: SSTR = ' species saved to VEXTfile:'\n\nC environment variable for no. of layers from bottom to save on VEXT file\n CHARACTER( 16 ) :: NLAYS_VEXT = 'NLAYS_VEXT'\n\nC environment variable description\n CHARACTER( 80 ) :: VARDESC\n\n INTEGER :: K, KD, L, SPC, V, VAR ! loop counters\n INTEGER :: STRT, FINI ! loop counters\n INTEGER :: STATUS\n INTEGER :: GDTYP2 = 1\n REAL, ALLOCATABLE :: VERTEXTLAT(:), VERTEXTLON(:)\n REAL, ALLOCATABLE :: VERTEXTJR(:), VERTEXTIR(:)\n\n LOGICAL, EXTERNAL :: FLUSH3\n CHARACTER( 16 ) :: DOVERTNAME = 'DOVERTEXT'\n CHARACTER( 16 ) :: VERTEXTLATNAME = 'VERTEXTLAT'\n CHARACTER( 16 ) :: VERTEXTLONNAME = 'VERTEXTLON'\n\n INTEGER :: PE\n LOGICAL :: FOUND, PRJSET\n\n CHARACTER (30) :: MYFMT\n\nC-----------------------------------------------------------------------\n\n#ifndef mpas\n IF (.not. LVEXT) RETURN\n CALL GET_LONLAT(NVERTEXT, VERTEXTLON, VERTEXTLAT)\n\n ALLOCATE ( \n & VERTEXTJR(NVERTEXT), \n & VERTEXTIR(NVERTEXT), \n & VERTEXTJ(NVERTEXT), \n & VERTEXTI(NVERTEXT), \n & MY_VERTEXTJ(NVERTEXT), \n & MY_VERTEXTI(NVERTEXT), \n & PE_NVERTEXT(0:NVERTEXT, 0:NPCOL*NPROW-1), \n & VERT_SEQ(NVERTEXT), \n & STAT = STATUS)\n\n WRITE(LOGDEV, *)'IN', NVERTEXT\n\nC Set output file characteristics from GRID_CONF and open \n\n FTYPE3D = GRDDED3\n SDATE3D = JDATE\n STIME3D = JTIME + TSTEP\n TSTEP3D = TSTEP\n NVARS3D = N_CONC_VARS\n NCOLS3D = 1\n NROWS3D = NVERTEXT\n NLAYS3D = NLAYS\n NTHIK3D = 1\n GDTYP3D = GDTYP_GD\n P_ALP3D = P_ALP_GD\n P_BET3D = P_BET_GD \n P_GAM3D = P_GAM_GD\n XORIG3D = XORIG_GD\n YORIG3D = YORIG_GD\n XCENT3D = XCENT_GD\n YCENT3D = YCENT_GD\n XCELL3D = XCELL_GD\n YCELL3D = YCELL_GD\n VGTYP3D = VGTYP_GD\n VGTOP3D = VGTOP_GD\n DO L = 1, NLAYS + 1\n VGLVS3D( L ) = VGLVS_GD( L )\n END DO\n GDNAM3D = GRID_NAME ! from HGRD_DEFN\n\n FDESC3D( 1 ) = 'Concentration file output'\n FDESC3D( 2 ) = 'From CMAQ model dyn alloc version CTM'\n FDESC3D( 3 ) = 'Set of variables (possibly) reduced from CGRID'\n FDESC3D( 4 ) = 'For next scenario continuation runs,'\n FDESC3D( 5 ) = 'use the \"one-step\" CGRID file'\n KD = 5\n L = 0\n DO K = KD + 1, MIN ( NLAYS + KD, MXDESC3 )\n L = L + 1\n WRITE( FDESC3D( K ),'( \"Layer\", I3, \" to\", I3, \" \" )' )\n & L - 1, L\n END DO\n! IF ( ( KD + 1 + L ) .LT. MXDESC3 ) THEN\n! DO K = KD + 1 + L, MXDESC3\n! FDESC3D( K ) = ' '\n! END DO\n! END IF\n WRITE (MYFMT, '(a10, i3, a6)') '(A16, 1X, ', NVERTEXT, 'f12.6)'\n WRITE (FDESC3D(KD + 2 + L), MYFMT) 'Latitude list: ', VERTEXTLAT(1:NVERTEXT)\n WRITE (FDESC3D(KD + 3 + L), MYFMT) 'Longitude list: ', VERTEXTLON(1:NVERTEXT)\n CALL LONLAT2XY(NVERTEXT, VERTEXTLON, VERTEXTLAT,\n & VERTEXTIR, VERTEXTJR)\n WRITE (MYFMT, '(a10, i3, a6)') '(A16, 1X, ', NVERTEXT, 'f12.6)'\n WRITE (FDESC3D(KD + 4 + L), myfmt) 'Y list: ', VERTEXTJR(1:NVERTEXT)\n WRITE (FDESC3D(KD + 5 + L), myfmt) 'X list: ', VERTEXTIR(1:NVERTEXT)\n \n \n STATUS = 0\n MY_NVERTEXT = 0\n PE_NVERTEXT = 0\n VERT_SEQ = -1\n DO V = 1, NVERTEXT\n VERTEXTI(V) = INT((VERTEXTIR(V) - XORIG3D) / XCELL3D) + 1\n VERTEXTJ(V) = INT((VERTEXTJR(V) - YORIG3D) / YCELL3D) + 1\n IF ((VERTEXTI(V) .gt. GL_NCOLS) .or. (VERTEXTI(V) .lt. 1) .or.\n & (VERTEXTJ(V) .gt. GL_NROWS) .or. (VERTEXTJ(V) .lt. 1)) THEN\n STATUS = STATUS + 1\n WRITE( LOGDEV, '( /5X, A, F10.4, F10.4, A, I8, I8)' )\n & 'Outside domain', VERTEXTLON(V), VERTEXTLAT(V),\n & 'COL/ROW', VERTEXTI(V), VERTEXTJ(V)\n ELSE \n FOUND = .FALSE.\n PE = 0\n DO WHILE (.NOT. FOUND)\n PE = PE + 1\n IF ((VERTEXTI(V) .GE. COLSX_PE(1, PE)) .and. \n & (VERTEXTI(V) .LE. COLSX_PE(2, PE)) .and.\n & (VERTEXTJ(V) .GE. ROWSX_PE(1, PE)) .and.\n & (VERTEXTJ(V) .LE. ROWSX_PE(2, PE))) THEN\n VERT_SEQ(V) = PE - 1\n PE_NVERTEXT(0, PE-1) = PE_NVERTEXT(0, PE-1) + 1\n K = PE_NVERTEXT(0, PE-1)\n PE_NVERTEXT(K, PE-1) = V\n FOUND = .TRUE.\n END IF\n END DO\n IF (MYPE .EQ. VERT_SEQ(V)) THEN \n MY_NVERTEXT = MY_NVERTEXT + 1\n MY_VERTEXTI(MY_NVERTEXT) = VERTEXTI(V) - COLSX_PE(1, MYPE+1) + 1\n MY_VERTEXTJ(MY_NVERTEXT) = VERTEXTJ(V) - ROWSX_PE(1, MYPE+1) + 1\n\n WRITE(LOGDEV, *)'IN', VERTEXTLON(V), VERTEXTLAT(V)\n WRITE(LOGDEV, *) 'OUT', VERTEXTI(V), VERTEXTJ(V)\n END IF\n ENDIF\n END DO\n\n WRITE (MYFMT, '(a10, i3, a6)') '(A16, 1X, ', NVERTEXT, 'I6)'\n WRITE (FDESC3D(KD + 6 + L), MYFMT) 'J list: ', VERTEXTJ(1:NVERTEXT)\n WRITE (FDESC3D(KD + 7 + L), MYFMT) 'I list: ', VERTEXTI(1:NVERTEXT)\n WRITE( LOGDEV,* ) ' '\n WRITE( LOGDEV,* ) ' VEXT File Header Description:'\n DO K = 1, KD + L\n WRITE( LOGDEV,* ) ' => ', TRIM( FDESC3D( K ) )\n END DO\n\n V = 0\n STRT = 1\n FINI = N_C_GC_SPC\n DO SPC = STRT, FINI\n V = V + 1\n VTYPE3D( SPC ) = M3REAL\n VNAME3D( SPC ) = C_GC_SPC( V )\n UNITS3D( SPC ) = 'ppmV'\n VDESC3D( SPC ) = 'Variable ' // VNAME3D( SPC )\n END DO\n\n V = 0\n STRT = FINI + 1\n FINI = FINI + N_C_AE_SPC\n DO SPC = STRT, FINI\n V = V + 1\n VTYPE3D( SPC ) = M3REAL\n VNAME3D( SPC ) = C_AE_SPC( V )\n IF ( VNAME3D( SPC )(1:3) .EQ. 'NUM' ) THEN\n UNITS3D( SPC ) = 'm-3'\n ELSE IF ( VNAME3D( SPC )(1:3) .EQ. 'SRF' ) THEN\n UNITS3D( SPC ) = 'm2 m-3'\n ELSE\n UNITS3D( SPC ) = 'ug m-3'\n END IF\n VDESC3D( SPC ) = 'Variable ' // VNAME3D( SPC )\n END DO\n\n V = 0\n STRT = FINI + 1\n FINI = FINI + N_C_NR_SPC\n DO SPC = STRT, FINI\n V = V + 1\n VTYPE3D( SPC ) = M3REAL\n VNAME3D( SPC ) = C_NR_SPC( V )\n UNITS3D( SPC ) = 'ppmV'\n VDESC3D( SPC ) = 'Variable ' // VNAME3D( SPC )\n END DO\n\n V = 0\n STRT = FINI + 1\n FINI = FINI + N_C_TR_SPC ! write all TR species\n DO SPC = STRT, FINI\n V = V + 1\n VTYPE3D( SPC ) = M3REAL\n VNAME3D( SPC ) = C_TR_SPC( V )\n UNITS3D( SPC ) = 'ppmV'\n VDESC3D( SPC ) = 'Molar Mixing Ratio for species ' // VNAME3D( SPC )\n END DO\n \n VAR = FINI\n IF ( W_VEL ) THEN ! for W_YAMO\n VAR = VAR + 1\n VTYPE3D( VAR ) = M3REAL\n VNAME3D( VAR ) = 'W_VEL'\n UNITS3D( VAR ) = 'm s-1'\n VDESC3D( VAR ) = 'Derived vertical velocity component'\n END IF\n \n IF ( L_CONC_RH ) THEN ! for Relative Humidity\n VAR = VAR + 1 \n VTYPE3D( VAR ) = M3REAL\n VNAME3D( VAR ) = 'RH'\n UNITS3D( VAR ) = '1'\n VDESC3D( VAR ) = 'Fractional Relative Humidity'\n END IF\n \n IF ( L_CONC_TA ) THEN ! for Temperature\n VAR = VAR + 1 \n VTYPE3D( VAR ) = M3REAL\n VNAME3D( VAR ) = 'TA'\n UNITS3D( VAR ) = 'K'\n VDESC3D( VAR ) = 'Air Temperature'\n END IF\n \n IF ( L_CONC_PRES ) THEN ! for Pressure\n VAR = VAR + 1 \n VTYPE3D( VAR ) = M3REAL\n VNAME3D( VAR ) = 'PRES'\n UNITS3D( VAR ) = 'Pa'\n VDESC3D( VAR ) = 'Air Pressure'\n END IF\n \n NVERTEXT_SPCS = NVARS3D\n ALLOCATE( VERTEXT_SPCS( NVERTEXT_SPCS ), STAT = STATUS )\n VERTEXT_SPCS( 1:NVERTEXT_SPCS ) = VNAME3D( 1:NVERTEXT_SPCS ) \n\nC create header\n\n IF ( IO_PE_INCLUSIVE ) THEN ! open new\n\n IF ( .NOT. OPEN3( CTM_VEXT_1, FSNEW3, PNAME ) ) THEN\n XMSG = 'Could not open ' // CTM_VEXT_1\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n IF ( .NOT. FLUSH3 ( CTM_VEXT_1 ) ) THEN\n XMSG = 'Could not sync to disk ' // CTM_VEXT_1\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n END IF\n\n DEALLOCATE(VERTEXTLAT, VERTEXTLON, VERTEXTJR, VERTEXTIR)\n#endif\n\n END SUBROUTINE OPVEXT\n\n#ifndef mpas\n#ifdef parallel\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n LOGICAL FUNCTION PWRVEC( FILNAME, VARNAME, DATE, TIME,\n & BUFFER, NLAYS,\n & NCOLS, NROWS, NP, \n & NVERTEXT, VERTEXTII, VERTEXTJI)\nC.....................................................................\n \nC PURPOSE: Perform Models-3 file-write operation in a parallel\nC environment for a vector. Values of variable VARNAME on each processor\nC subdomain region are collected, via MPI calls, by the\nC primary I/O processor and the full grid of values are\nC written to file.\n\nC RETURN VALUE: The function fails if M3IO routine WRITE3 fails. If\nC an MPI error occurs, the program is aborted with a call to\nC PM3EXIT. \n \nC REVISION HISTORY:\nC Copied 11/29/2017 by Barron Henderson\nC -- Copied from PWRGRDD\nC 09 Jan 18 D.Wong: put in parallel implementation\n \nC ARGUMENT LIST DESCRIPTION:\nC M1 in PIOMAPS_MODULE\nC M2 in ALLOC_DATA_MODULE\nC E3 in PIOVARS.EXT\nC IN:\nC CHARACTER*(*) FILNAME ! Name of file containing variable VARNAME\nC CHARACTER*(*) VARNAME ! Name of file variable to write\nC INTEGER DATE ! Date, formatted YYYYDDD\nC INTEGER TIME ! Time, formatted HHMMSS\nC REAL BUFFER(NCOLS, NROWS, NLAYS)\nC ! Buffer holding (local) array to be written\nC INTEGER NLAYS ! Layer dimension of file variables\nC INTEGER NCOLS ! Column dimension of local-processor arrays\nC INTEGER NROWS ! Row dimension of local-processor arrays\nC INTEGER NP ! Number of processors\nC INTEGER NVERTEXT ! Number of Lat/Lon pairs\nC INTEGER VERTEXTII ! Vertice location\nC INTEGER VERTEXTJI ! Vertice location\n \nC OUT: none\n \nC LOCAL VARIABLE DESCRIPTION: see below\n \nC CALLS: WRITE3, PM3WARN, PM3EXIT, MPI_SEND, MPI_RECV, MPI_BCAST\n \nC NOTES: (1) Only the primary I/O processor does the file writing. Input\nC arguments FILNAME, VARNAME, DATE, and TIME are meaningful\nC only to the I/O processor.\n \nC (2) This routine handles only gridded variables. The BUFFER is\nC assumed to be declared as BUFFER( NCOLS, NROWS, NLAYS ),\nC where NCOLS and NROWS are the local PE grid subdomain\nC dimensions and NLAYS is the file variable layer dimension.\nC BUFFER is assumed to be filled as BUFFER(1:C,1:R,1:NLAYS),\nC where C = WR_COLSX_PE(2,MY_PE+1), R = WR_ROWSX_PE(2,MY_PE+1).\nC-----------------------------------------------------------------------\n\n USE PIOMAPS_MODULE\n USE M3UTILIO, ONLY : WRITE3 ! i/o api\n\n IMPLICIT NONE\n\nC Include Files\n\n INCLUDE 'mpif.h' ! MPI definitions and parameters\n INCLUDE 'PIOVARS.EXT'\n\nC Arguments\n\n CHARACTER( * ), INTENT(IN) :: FILNAME ! Name of file containing variable VARNAME\n CHARACTER( * ), INTENT(IN) :: VARNAME ! Name of file variable to write\n INTEGER, INTENT(IN) :: DATE ! Date, formatted YYYYDDD\n INTEGER, INTENT(IN) :: TIME ! Time, formatted HHMMSS \n INTEGER, INTENT(IN) :: NLAYS ! Layer dimension of file variables\n INTEGER, INTENT(IN) :: NCOLS ! Column dimension of local-processor arrays\n INTEGER, INTENT(IN) :: NROWS ! Row dimension of local-processor arrays\n INTEGER, INTENT(IN) :: NP ! Number of processors\n INTEGER, INTENT(IN) :: NVERTEXT ! Number of vertices\n INTEGER, INTENT(IN) :: VERTEXTII(:),VERTEXTJI(:) ! vertex locations\n REAL, INTENT(IN) :: BUFFER( :,:,: ) ! Buffer holding (local) array \n\n REAL, ALLOCATABLE, SAVE :: WRITVBUF( :,:,: )\n REAL, ALLOCATABLE :: RECVVBUF( :,: )\n REAL, ALLOCATABLE :: SENDVBUF(:,:) ! to be written\n\nC External Functions:\n\n EXTERNAL PM3WARN ! Parallel M3IO library\n\nC Local Variables:\n\n INTEGER :: MSGSIZE ! Message size of subgrid to receive\n INTEGER :: IPE ! For loop over processors\n INTEGER :: IERROR ! MPI error code\n LOGICAL :: LERROR ! LOCAL ERROR\n LOGICAL :: RERROR ! LOCAL MPI ALLREDUCE ERROR\n INTEGER :: TC,TR ! This cell position\n INTEGER :: IG ! Loop counter over grid layers\n CHARACTER( 16 ) :: FIL16 ! Scratch area for file-name\n CHARACTER( 16 ) :: VAR16 ! Scratch area for vble-name\n CHARACTER( 80 ) :: MSG ! Message issued from PM3WARN routine\n INTEGER :: STATUS( MPI_STATUS_SIZE ) ! MPI status code\n INTEGER :: N, POS\n\n INTEGER, PARAMETER :: TAG1 = 901 ! MPI message tag for processor ID\n\nC........................................................................\n\nC Initialize return value and error code\n PWRVEC = .TRUE.\n LERROR = .FALSE.\n IERROR = 0\n \n IF ( MY_PE .EQ. IO_PE ) THEN ! I/O processor collects and writes data\n\n IF (.NOT. ALLOCATED(WRITVBUF)) THEN\n ALLOCATE ( WRITVBUF ( 1, NVERTEXT, NLAYS ), STAT = IERROR )\n IF ( IERROR .NE. 0 ) THEN\n MSG = 'Failure allocating WRITVBUF '\n CALL M3EXIT( 'PWRVEC', DATE, TIME, MSG, 1 )\n END IF\n END IF\n\nC Gather the array and write it to file.\n\nC I/O PE copies its own local array into output buffer\n\n DO N = 1, MY_NVERTEXT\n POS = PE_NVERTEXT(N, MY_PE)\n TC = MY_VERTEXTI(N)\n TR = MY_VERTEXTJ(N)\n\n WRITVBUF( 1, POS, : ) = BUFFER(TC, TR, :)\n END DO\n \nC I/O PE receives array from all other processors and copies it to the output\nC buffer. Arrays are received in a first-come-first-serve order. \n\n DO IPE = 1, NP - 1\n\n IF (PE_NVERTEXT(0, IPE) .GT. 0) THEN\n ALLOCATE ( RECVVBUF ( PE_NVERTEXT(0, IPE), NLAYS ), STAT = IERROR )\n IF ( IERROR .NE. 0 ) THEN\n MSG = 'Failure allocating RECVVBUF '\n CALL M3EXIT( 'PWRVEC', DATE, TIME, MSG, 1 )\n END IF\n\n MSGSIZE = PE_NVERTEXT(0, IPE) * NLAYS \n\n CALL MPI_RECV( RECVVBUF, MSGSIZE, MPI_REAL, IPE,\n & TAG1, MPI_COMM_WORLD, STATUS, IERROR )\n IF ( IERROR .NE. 0 ) THEN\n MSG = 'MPI error receiving data array RECVVBUF.'\n CALL PM3WARN( 'PWRVEC', DATE, TIME, MSG )\n LERROR = .TRUE.\n END IF\n\n DO N = 1, PE_NVERTEXT(0, IPE)\n POS = PE_NVERTEXT(N, IPE)\n TC = MY_VERTEXTI(N)\n TR = MY_VERTEXTJ(N)\n\n WRITVBUF( 1, POS, : ) = RECVVBUF(N,:)\n END DO\n DEALLOCATE (RECVVBUF)\n END IF\n END DO\n\nC Write the accumulated array to file\n\n FIL16 = FILNAME\n VAR16 = VARNAME\n IF ( .NOT. WRITE3( FIL16, VAR16, DATE, TIME, WRITVBUF ) ) THEN\n MSG = 'Could not write '\n & // TRIM( VARNAME ) //\n & ' to file '// TRIM( FIL16 )\n\n CALL PM3WARN( 'PWRVEC', DATE, TIME, MSG )\n LERROR = .TRUE.\n END IF\n\n ELSE ! Non-I/O processors send data\n\nC Each processor, except for the I/O processor, sends its local array to\nC the I/O processor.\n\n IF (MY_NVERTEXT .GT. 0) THEN\n IF (.NOT. ALLOCATED(SENDVBUF)) THEN\n ALLOCATE ( SENDVBUF ( MY_NVERTEXT, NLAYS ), STAT = IERROR )\n IF ( IERROR .NE. 0 ) THEN\n MSG = 'Failure allocating SENDVBUF '\n CALL M3EXIT( 'PWRVEC', DATE, TIME, MSG, 1 )\n END IF\n END IF\n\n DO IG = 1, MY_NVERTEXT\n TC = MY_VERTEXTI(IG)\n TR = MY_VERTEXTJ(IG)\n\n SENDVBUF( IG, : ) = BUFFER(TC, TR, :)\n END DO\n\n MSGSIZE = MY_NVERTEXT * NLAYS \n\n CALL MPI_SEND( SENDVBUF, MSGSIZE, MPI_REAL, IO_PE, TAG1,\n & MPI_COMM_WORLD, IERROR )\n\n IF ( IERROR .NE. 0 ) THEN\n MSG = 'MPI error sending data array WRITVBUF.'\n CALL PM3WARN( 'PWRVEC', DATE, TIME, MSG )\n LERROR = .TRUE.\n END IF\n END IF\n\n END IF ! if( my_pe .eq. io_pe )\n\nC Notify non-I/O processors of failure\n\n CALL MPI_ALLREDUCE( LERROR, RERROR, 1, MPI_LOGICAL, MPI_LAND, \n & MPI_COMM_WORLD, IERROR )\n\n IF ( IERROR .NE. 0 ) THEN\n MSG = 'MPI Allreduce error.'\n CALL PM3WARN( 'PWRVEC', DATE, TIME, MSG )\n LERROR = .TRUE.\n END IF\n\n IF ( RERROR ) THEN\n MSG = 'Failed to write '\n & // TRIM( VARNAME ) //\n & ' from file '// TRIM( FILNAME )\n CALL PM3WARN( 'PWRVEC', DATE, TIME, MSG )\n PWRVEC = .FALSE.\n END IF\n\n END FUNCTION PWRVEC\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE WR_VEXT( CGRID, JDATE, JTIME, TSTEP )\n\nC Revision History:\nC 24 Nov 17 B.Henderson: copied from WR_CONC\nC 24 Jul 18 C. Nolte: removed call to INIT_MET that was causing conflict.\nC Met should already be initialized by this point.\nC 09 Sep 19 F. Sidi: Replaced L_CONC_WVEL & L_ACONC_WVEL (depreciated) with W_VEL\nC-----------------------------------------------------------------------\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE RUNTIME_VARS\n USE STD_CONC ! standard CONC\n USE PIOMAPS_MODULE\n USE UTILIO_DEFN\n USE ASX_DATA_MOD, Only: Met_Data\n USE WVEL_DEFN, Only : WVEL\n\n IMPLICIT NONE\n\nC Include Files:\n\n INCLUDE SUBST_FILES_ID ! I/O definitions and declarations\n\n REAL, POINTER :: CGRID( :,:,:,: ) ! Species concentrations\n\n INTEGER, INTENT(IN) :: JDATE ! current model date, coded YYYYDDD\n INTEGER, INTENT(IN) :: JTIME ! current model time, coded HHMMSS\n INTEGER, INTENT(IN) :: TSTEP ! output timestep (HHMMSS)\n\nC Local variables:\n\n CHARACTER( 16 ) :: PNAME = 'WR_VEXT'\n CHARACTER( 96 ) :: XMSG = ' '\n\n REAL, ALLOCATABLE :: DBUFF ( :,: ) ! input for W_VEL\n INTEGER :: ALLOCSTAT\n\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n\nC for INTERPX\n\n INTEGER :: C, R, K, L, V,GI ! loop induction variables\n INTEGER :: C0, CN, R0, RN\n INTEGER :: INDX, VAR\n! CHARACTER( 16 ), ALLOCATABLE, SAVE :: VNAME( : )\n! INTEGER, SAVE :: NVARS\n\nC-----------------------------------------------------------------------\n IF ( FIRSTIME ) THEN\n\n FIRSTIME = .FALSE.\n\nC open vext file for update\n\n IF ( .NOT. IO_PE_INCLUSIVE ) THEN\n IF ( .NOT. OPEN3( CTM_VEXT_1, FSREAD3, PNAME ) ) THEN\n XMSG = 'Could not open ' // CTM_VEXT_1 //\n & ' file for update'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END IF\n\n! IF ( .NOT. DESC3( CTM_VEXT_1 ) ) THEN\n! XMSG = 'Could not get file description from ' // CTM_VEXT_1\n! CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n! END IF\n! NVARS = NVARS3D\n! ALLOCATE ( VNAME( NVARS ), STAT=ALLOCSTAT )\n! VNAME = VNAME3D( 1:NVARS )\n! WRITE(LOGDEV, *) 'WR_VEXT:NVARS', NVARS\n\n\n IF ( .NOT. ALLOCATED( DBUFF ) ) THEN\n ALLOCATE ( DBUFF( NVERTEXT, NLAYS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating DBUFF'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END IF\n\n END IF ! firstime\n\n DO V = 1, N_CSPCS\n INDX = CONC_MAP( V )\n IF ( .NOT. PWRVEC(CTM_VEXT_1, CONC_FILE_SPCS( V ), JDATE, JTIME,\n & CGRID(:, :, :, INDX), NLAYS,\n & NCOLS, NROWS, NUMPROCS, \n & NVERTEXT, VERTEXTI, VERTEXTJ ) ) THEN\n XMSG = 'PWRGRDD failed writing variable '\n & // TRIM( CONC_FILE_SPCS(V) ) //\n & ' to file '// TRIM( CTM_VEXT_1 )\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n ELSE\n XMSG = 'PWRGRDD wrote variable '\n & // TRIM( CONC_FILE_SPCS(V) ) //\n & ' to file '// TRIM( CTM_VEXT_1 )\n WRITE( LOGDEV, '(A)') XMSG\n END IF\n END DO\n \n IF ( W_VEL ) THEN\n IF ( .NOT. PWRVEC(CTM_VEXT_1, 'W_VEL', JDATE, JTIME,\n & WVEL(:, :, :), NLAYS,\n & NCOLS, NROWS, NUMPROCS, \n & NVERTEXT, VERTEXTI, VERTEXTJ ) ) THEN\n XMSG = 'PWRGRDD failed writing variable WVEL'\n & // ' to file '// TRIM( CTM_VEXT_1 )\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END IF\n \n IF ( L_CONC_RH ) THEN\n IF ( .NOT. PWRVEC(CTM_VEXT_1, 'RH', JDATE, JTIME,\n & MET_DATA%RH(:, :, :), NLAYS,\n & NCOLS, NROWS, NUMPROCS, \n & NVERTEXT, VERTEXTI, VERTEXTJ ) ) THEN\n XMSG = 'PWRGRDD failed writing variable RH'\n & // ' to file '// TRIM( CTM_VEXT_1 )\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END IF\n \n \n IF ( L_CONC_PRES ) THEN\n IF ( .NOT. PWRVEC(CTM_VEXT_1, 'PRES', JDATE, JTIME,\n & Met_Data%PRES(:, :, :), NLAYS,\n & NCOLS, NROWS, NUMPROCS, \n & NVERTEXT, VERTEXTI, VERTEXTJ ) ) THEN\n XMSG = 'PWRGRDD failed writing variable PRES'\n & // ' to file '// TRIM( CTM_VEXT_1 )\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END IF\n \n IF ( L_CONC_TA ) THEN\n IF ( .NOT. PWRVEC(CTM_VEXT_1, 'TA', JDATE, JTIME,\n & Met_Data%TA(:, :, :), NLAYS,\n & NCOLS, NROWS, NUMPROCS, \n & NVERTEXT, VERTEXTI, VERTEXTJ ) ) THEN\n XMSG = 'PWRGRDD failed writing variable TA '\n & // ' to file '// TRIM( CTM_VEXT_1 )\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END IF\n\n WRITE( LOGDEV, '( /5X, 3( A, :, 1X ), I8, \":\", I6.6 )' )\n & 'Timestep written to', CTM_VEXT_1,\n & 'for date and time', JDATE, JTIME\n\n END SUBROUTINE WR_VEXT\n#endif\n#endif\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE GET_LONLAT(NVERT, VERTLON, VERTLAT)\nC-----------------------------------------------------------------------\nC Function:\nC Get LON/LAT pairs from file\nC Revision history:\nC 09 Mar 18 B.Henderson: \nC-----------------------------------------------------------------------\n USE UTILIO_DEFN\n USE RUNTIME_VARS\n IMPLICIT NONE\n INTEGER :: STATUS, FUNIT, I\n INTEGER, INTENT(INOUT) :: NVERT\n REAL, ALLOCATABLE, INTENT(INOUT) :: VERTLAT(:), VERTLON(:)\n ! environment variable description\n CHARACTER( 80 ) :: VARDESC\n CHARACTER( 16 ) :: DEFTXT = ''\n CHARACTER( 16 ) :: PNAME = 'OPVEXT'\n CHARACTER( 96 ) :: XMSG = ' '\n\n#ifndef mpas\n FUNIT = 100\n! OPEN FORMATTED FILE\n! EXPECTED FORMAT \n! REC1: N\n! REC2-N+1: LON LAT\n OPEN(UNIT=FUNIT, FILE=VEXT_COORD_PATH, STATUS='OLD',\n & FORM = 'FORMATTED', IOSTAT = STATUS)\n\n IF ( STATUS .NE. 0 ) THEN\n XMSG = TRIM(VEXT_COORD_PATH) //\n & ' Could not be opened'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n! READ NUMBER OF VERTICES\n READ(FUNIT, *, IOSTAT=STATUS) NVERT\n IF ( STATUS .NE. 0 ) THEN\n XMSG = TRIM(VEXT_COORD_PATH) //\n & ' did not contain one integer on the first line'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n! ALLOCATE OUTPUT VARIABLES\n ALLOCATE ( VERTLAT(NVERT), VERTLON(NVERT), STAT = STATUS )\n! FOR EACH INPUT LINE READ LON,LAT\n DO I=1,NVERT\n READ(FUNIT, *, IOSTAT=STATUS) VERTLON(I), VERTLAT(I)\n IF ( STATUS .NE. 0 ) THEN\n WRITE(XMSG, '(I6)') I\n XMSG = TRIM(VEXT_COORD_PATH) //\n & ' did not contain two reals on line: ' //\n & TRIM(XMSG)\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n ENDDO\n! CLOSE FILE\n CLOSE(FUNIT)\n#endif\n\n END SUBROUTINE GET_LONLAT\n\n SUBROUTINE LONLAT2XY(NVERTEXT, VERTEXTLON, VERTEXTLAT,\n & VERTEXTIR, VERTEXTJR)\n USE UTILIO_DEFN\n USE GRID_CONF ! horizontal & vertical domain specifications\n IMPLICIT NONE\n INTEGER, INTENT(in) :: NVERTEXT\n REAL, INTENT(in) :: VERTEXTLON(NVERTEXT), VERTEXTLAT(NVERTEXT)\n REAL, INTENT(inout) :: VERTEXTIR(NVERTEXT), VERTEXTJR(NVERTEXT)\n CHARACTER( 16 ) :: PNAME = 'LONLAT2XY'\n CHARACTER( 96 ) :: XMSG = ' '\n LOGICAL :: PRJSET, LSTAT\n REAL :: JR, IR\n INTEGER :: V\n! IOAPI 3.2 has an explicit function, but many users are likely\n! using 3.1, so I basically rewrote LL2XY\n! CALL XY2XY( GDTYP_GD, P_ALP_GD, P_BET_GD, P_GAM_GD, XCENT_GD, YCENT_GD,\n! & 1 , 0.d0, 0.d0, 0.d0, 0.d0, 0.d0,\n! & NVERTEXT, VERTEXTLON, VERTEXTLAT, VERTEXTIR, VERTEXTJR )\n#ifndef mpas\n IF ( GDTYP3D .EQ. LAMGRD3 ) THEN\n PRJSET = SETLAM( REAL(P_ALP_GD), REAL(P_BET_GD), REAL(P_GAM_GD),\n & REAL(XCENT_GD), REAL(YCENT_GD))\n DO V=1,NVERTEXT\n LSTAT = LL2LAM( VERTEXTLON(V), VERTEXTLAT(V), IR, JR ) \n VERTEXTIR(V) = IR\n VERTEXTJR(V) = JR\n ENDDO\n ELSEIF ( GDTYP_GD .EQ. POLGRD3 ) THEN\n PRJSET = SETPOL( REAL(P_ALP_GD), REAL(P_BET_GD), REAL(P_GAM_GD),\n & REAL(XCENT_GD), REAL(YCENT_GD))\n DO V=1,NVERTEXT\n LSTAT = LL2POL( VERTEXTLON(V), VERTEXTLAT(V), IR, JR ) \n VERTEXTIR(V) = IR\n VERTEXTJR(V) = JR\n ENDDO\n ELSEIF ( GDTYP_GD .EQ. EQMGRD3 ) THEN\n PRJSET = SETEQM( REAL(P_ALP_GD), REAL(P_BET_GD), REAL(P_GAM_GD),\n & REAL(XCENT_GD), REAL(YCENT_GD))\n DO V=1,NVERTEXT\n LSTAT = LL2EQM( VERTEXTLON(V), VERTEXTLAT(V), IR, JR ) \n VERTEXTIR(V) = IR\n VERTEXTJR(V) = JR\n ENDDO\n ELSEIF ( GDTYP_GD .EQ. TRMGRD3 ) THEN\n PRJSET = SETTRM( REAL(P_ALP_GD), REAL(P_BET_GD), REAL(P_GAM_GD),\n & REAL(XCENT_GD), REAL(YCENT_GD))\n DO V=1,NVERTEXT\n LSTAT = LL2TRM( VERTEXTLON(V), VERTEXTLAT(V), IR, JR )\n VERTEXTIR(V) = IR\n VERTEXTJR(V) = JR\n ENDDO\n ELSEIF ( GDTYP_GD .EQ. ALBGRD3 ) THEN\n PRJSET = SETALB( REAL(P_ALP_GD), REAL(P_BET_GD), REAL(P_GAM_GD),\n & REAL(XCENT_GD), REAL(YCENT_GD))\n DO V=1,NVERTEXT\n LSTAT = LL2ALB( VERTEXTLON(V), VERTEXTLAT(V), IR, JR )\n VERTEXTIR(V) = IR\n VERTEXTJR(V) = JR\n ENDDO\n ELSE\n XMSG = 'Unsupported coordinate system type'\n CALL M3EXIT(PNAME, 0, 0, XMSG, XSTAT2)\n END IF\n#endif\n\n END SUBROUTINE LONLAT2XY\n\n END MODULE VERTEXT_MODULE\n" }, { "path": "CCTM/src/driver/AVG_CONC.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n MODULE AVG_CONC\n\n IMPLICIT NONE\n\nC Revision History\nC 10 May 2016 D. Wong Modified code to provide flexibility to handle\nC environment variable ACONC_FILE_SPCS is set to 'ALL' \nC or not set.\nC \nC 09 Sep 19 F. Sidi: Replaced L_CONC_WVEL & L_ACONC_WVEL (depreciated) with W_VEL &\nC added W_VEL to species aconc_species list depending on\nC if the user requests the vertical velocity to be output\nC\nC\nC Function: species, layer pointers and definitions for integral average\nC CONC calculations\nC\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n INTEGER, SAVE :: N_ASPCS = 0\n\n INTEGER, SAVE, ALLOCATABLE :: AVG_CONC_MAP( : ) ! pointer into CGRID\n CHARACTER( 16 ), SAVE, ALLOCATABLE :: A_GC_SPC( : ) ! pointer into GC_SPC\n CHARACTER( 16 ), SAVE, ALLOCATABLE :: A_AE_SPC( : ) ! pointer into AE_SPC\n CHARACTER( 16 ), SAVE, ALLOCATABLE :: A_NR_SPC( : ) ! pointer into NR_SPC\n CHARACTER( 16 ), SAVE, ALLOCATABLE :: A_TR_SPC( : ) ! pointer into TR_SPC\n\nC species classes configuration for average CONC \n INTEGER, SAVE :: A_GC_STRT\n INTEGER, SAVE :: N_A_GC_SPC\n INTEGER, SAVE :: A_AE_STRT\n INTEGER, SAVE :: N_A_AE_SPC\n INTEGER, SAVE :: A_NR_STRT\n INTEGER, SAVE :: N_A_NR_SPC\n INTEGER, SAVE :: A_TR_STRT\n INTEGER, SAVE :: N_A_TR_SPC\n\n INTEGER, SAVE :: N_A_AE_SPCD\n \nC Number of Average Concentration Layers \n INTEGER, SAVE :: A_NLYS = 1\n\nC Average Arrays for Met variables\n REAL, SAVE, ALLOCATABLE :: AVG_WVEL( :,:,: )\n REAL, SAVE, ALLOCATABLE :: AVG_RH( :,:,: )\n REAL, SAVE, ALLOCATABLE :: AVG_TA( :,:,: )\n REAL, SAVE, ALLOCATABLE :: AVG_PRES( :,:,: )\n\nC Logical to test whether met variables are included\n LOGICAL, SAVE :: L_ACONC_RH = .FALSE.\n LOGICAL, SAVE :: L_ACONC_TA = .FALSE.\n LOGICAL, SAVE :: L_ACONC_PRES = .FALSE.\n\n CONTAINS\n\n SUBROUTINE A_CONC_DEFN ()\n\n USE RUNTIME_VARS\n USE GRID_CONF ! Grid Configuration\n USE CGRID_SPCS ! CGRID mechanism species\n USE UTILIO_DEFN\n\n#ifdef sens\n Use DDM3D_DEFN, Only: N_ASENS_VARS\n#endif\n\n CHARACTER( 16 ) :: PNAME = 'A_CONC_DEFN'\n CHARACTER(200 ) :: XMSG = ' '\n\n INTEGER OFF, VAR, V, NV, LVL\n INTEGER ALLOCSTAT, STATUS\n INTEGER :: JDATE = 0\n INTEGER :: JTIME = 0\n\n INTEGER, ALLOCATABLE :: GC_MAP( : )\n INTEGER, ALLOCATABLE :: AE_MAP( : )\n INTEGER, ALLOCATABLE :: NR_MAP( : )\n INTEGER, ALLOCATABLE :: TR_MAP( : )\n\n\nC-----------------------------------------------------------------------\n\nC RETRIEVE THE SPECIES SAVED TO INTEGRAL AVERAGE CONCENTRATION FILE\n\n IF ( N_ACONC_VARS .EQ. 0 .OR. ACONC_FILE_SPCS( 1 ) .EQ. 'ALL' ) THEN\n V = 0\n DO VAR = 1, N_GC_CONC\n V = V + 1\n ACONC_FILE_SPCS( V ) = GC_CONC( VAR )\n END DO\n DO VAR = 1, N_AE_CONC\n V = V + 1\n ACONC_FILE_SPCS( V ) = AE_CONC( VAR )\n END DO\n DO VAR = 1, N_NR_CONC\n V = V + 1\n ACONC_FILE_SPCS( V ) = NR_CONC( VAR )\n END DO\n DO VAR = 1, N_TR_SPC\n V = V + 1\n ACONC_FILE_SPCS( V ) = TR_SPC( VAR )\n END DO\n ACONC_FILE_SPCS( V + 1 ) = 'RH'\n ACONC_FILE_SPCS( V + 2 ) = 'TA'\n ACONC_FILE_SPCS( V + 3 ) = 'PRES'\n N_ACONC_VARS = V + 3\n#ifdef sens\n N_ASENS_VARS = V\n#endif\n END IF\nC Retrieve CTM_WVEL environmental variable to see if user wants diagnosed vertical velocity\n IF ( W_VEL ) THEN \n ACONC_FILE_SPCS( N_ACONC_VARS + 1 ) = 'WVEL'\n N_ACONC_VARS = N_ACONC_VARS + 1\n END IF\nC Retrieve the layer range used in integral average concentration file\n IF ( ACONC_ELEV .EQ. -1 ) ACONC_ELEV = NLAYS\n\n IF ( ACONC_BLEV .LE. 0 .OR. ACONC_ELEV .GT. NLAYS ) THEN\n WRITE( XMSG,'( \"Layer range\", 2I4, \" invalid for this model\" )' )\n & ACONC_BLEV, ACONC_ELEV\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT3 )\n END IF\n\n A_NLYS = ACONC_ELEV - ACONC_BLEV + 1\n\nC Check species names against include files and create AVG_CONC_MAP, and\nC get starting index in AGRID and total count for each species class\n\n ALLOCATE ( A_GC_SPC ( N_ACONC_VARS ),\n & A_AE_SPC ( N_ACONC_VARS ),\n & A_NR_SPC ( N_ACONC_VARS ),\n & A_TR_SPC ( N_ACONC_VARS ),\n & GC_MAP ( N_ACONC_VARS ),\n & AE_MAP ( N_ACONC_VARS ),\n & NR_MAP ( N_ACONC_VARS ),\n & TR_MAP ( N_ACONC_VARS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'AVG_CONC_MAP or A_GC_SPC or A_AE_SPC or A_NR_SPC'\n & // ' or A_TR_SPC or GC_MAP or AE_MAP or NR_MAP or TR_MAP'\n & // ' memory allocation failed'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT3 )\n END IF\n\nC The selected species MUST be contiguous with the classes,\nC and the classes must be in the sequence: GC, AE, NR, TR\n\n N_A_GC_SPC = 0\n N_A_AE_SPC = 0\n N_A_NR_SPC = 0\n N_A_TR_SPC = 0\n\n DO VAR = 1, N_ACONC_VARS\n V = INDEX1 ( ACONC_FILE_SPCS( VAR ), N_GC_SPC, GC_SPC )\n IF ( V .GT. 0 ) THEN\n N_ASPCS = N_ASPCS + 1\n N_A_GC_SPC = N_A_GC_SPC + 1\n A_GC_SPC( N_A_GC_SPC ) = ACONC_FILE_SPCS( VAR )\n OFF = 0\n GC_MAP( N_A_GC_SPC ) = V + OFF\n ELSE\n V = INDEX1 ( ACONC_FILE_SPCS( VAR ), N_AE_SPC, AE_SPC )\n IF ( V .GT. 0 ) THEN\n N_ASPCS = N_ASPCS + 1\n N_A_AE_SPC = N_A_AE_SPC + 1\n OFF = N_GC_SPC + 1 ! accounts for advected density\n A_AE_SPC( N_A_AE_SPC ) = ACONC_FILE_SPCS( VAR )\n AE_MAP( N_A_AE_SPC ) = V + OFF\n ELSE\n V = INDEX1 ( ACONC_FILE_SPCS( VAR ), N_NR_SPC, NR_SPC )\n IF ( V .GT. 0 ) THEN\n N_ASPCS = N_ASPCS + 1\n N_A_NR_SPC = N_A_NR_SPC + 1\n OFF = N_GC_SPC + 1 + N_AE_SPC\n A_NR_SPC( N_A_NR_SPC ) = ACONC_FILE_SPCS( VAR )\n NR_MAP( N_A_NR_SPC ) = V + OFF\n ELSE\n V = INDEX1 ( ACONC_FILE_SPCS( VAR ), N_TR_SPC, TR_SPC )\n IF ( V .GT. 0 ) THEN\n N_ASPCS = N_ASPCS + 1\n N_A_TR_SPC = N_A_TR_SPC + 1\n OFF = N_GC_SPC + 1 + N_AE_SPC + N_NR_SPC\n A_TR_SPC( N_A_TR_SPC ) = ACONC_FILE_SPCS( VAR )\n TR_MAP( N_A_TR_SPC ) = V + OFF\n ELSE IF ( ACONC_FILE_SPCS( VAR ) .EQ. 'WVEL' ) THEN\n ALLOCATE( AVG_WVEL( NCOLS,NROWS,A_NLYS ) )\n ELSE IF ( ACONC_FILE_SPCS( VAR ) .EQ. 'RH' ) THEN\n L_ACONC_RH = .TRUE.\n ALLOCATE( AVG_RH( NCOLS,NROWS,A_NLYS ) )\n ELSE IF ( ACONC_FILE_SPCS( VAR ) .EQ. 'TA' ) THEN\n L_ACONC_TA = .TRUE.\n ALLOCATE( AVG_TA( NCOLS,NROWS,A_NLYS ) )\n ELSE IF ( ACONC_FILE_SPCS( VAR ) .EQ. 'PRES' ) THEN\n L_ACONC_PRES = .TRUE.\n ALLOCATE( AVG_PRES( NCOLS,NROWS,A_NLYS ) )\n ELSE\n XMSG = 'Variable ' // ACONC_FILE_SPCS( VAR )\n & // ' was requested for average concentration '\n & // ' output, but it is not available from any '\n & // ' species namelist.'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT3 )\n END IF\n END IF\n END IF\n END IF\n END DO\n\n A_GC_STRT = 1\n A_AE_STRT = A_GC_STRT + N_A_GC_SPC\n A_NR_STRT = A_AE_STRT + N_A_AE_SPC\n A_TR_STRT = A_NR_STRT + N_A_NR_SPC\n\n IF ( N_A_AE_SPC .GT. 0 ) THEN\n N_A_AE_SPCD = N_A_AE_SPC\n ELSE\n N_A_AE_SPCD = 1\n END IF\n\n ! Map the CGRID indices to the AGRID indices \n ! i.e.: AVG_CONC_MAP( AGRID_IND ) = CGRID_IND\n ALLOCATE( AVG_CONC_MAP( N_ASPCS ) )\n VAR = 0\n DO V = 1, N_A_GC_SPC\n VAR = VAR + 1\n AVG_CONC_MAP( VAR ) = GC_MAP( V )\n END DO\n\n DO V = 1, N_A_AE_SPC\n VAR = VAR + 1\n AVG_CONC_MAP( VAR ) = AE_MAP( V )\n END DO\n\n DO V = 1, N_A_NR_SPC\n VAR = VAR + 1\n AVG_CONC_MAP( VAR ) = NR_MAP( V )\n END DO\n\n DO V = 1, N_A_TR_SPC\n VAR = VAR + 1\n AVG_CONC_MAP( VAR ) = TR_MAP( V )\n END DO\n\n ! Deallocate arrays if they are unused\n DEALLOCATE( GC_MAP, AE_MAP, NR_MAP, TR_MAP )\n IF ( N_A_GC_SPC .EQ. 0 ) DEALLOCATE ( A_GC_SPC )\n IF ( N_A_AE_SPC .EQ. 0 ) DEALLOCATE ( A_AE_SPC )\n IF ( N_A_NR_SPC .EQ. 0 ) DEALLOCATE ( A_NR_SPC )\n IF ( N_A_TR_SPC .EQ. 0 ) DEALLOCATE ( A_TR_SPC )\n\n END SUBROUTINE A_CONC_DEFN\n\n END MODULE AVG_CONC\n" }, { "path": "CCTM/src/driver/ELMO_DATA.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nc:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n MODULE ELMO_DATA\n\n USE AERO_DATA, ONLY : N_MODE\n USE UTILIO_DEFN\n\n IMPLICIT NONE\n\n#ifdef mpas\n INTEGER, PARAMETER :: M3REAL = 5\n#endif\n\n ! Define Logical values as T and F for the aerospc table\n Logical, Parameter, Private :: T = .true.\n Logical, Parameter, Private :: F = .false.\n\n LOGICAL, SAVE :: L_ELMO\n REAL, SAVE :: ELMO_NSTEP = 0.\n INTEGER, SAVE :: NLAY_ELMO_INST\n INTEGER, SAVE :: NLAY_ELMO_AVRG\n\n ! Define Indices for All ELMO Parameters\n ! The idea here is that parameters will be organized and\n ! calculated in the order of this list, not the ELMO_LIST. The\n ! ELMO_LIST is searchable via the Parameter names but they\n ! link to this list of integers so that each parameter can be\n ! easily referenced during the run without having to do string\n ! lookups. Please see the table defining the ELMO_LIST below \n ! for a description of each of these indices.\n INTEGER, PARAMETER :: ID_STDEV = 1\n INTEGER, PARAMETER :: ID_DRY_DG = 2\n INTEGER, PARAMETER :: ID_WET_DG = 3 \n INTEGER, PARAMETER :: ID_WET_M2 = 4\n INTEGER, PARAMETER :: ID_DRY_M3 = 5\n INTEGER, PARAMETER :: ID_WET_M3 = 6\n INTEGER, PARAMETER :: ID_PM_NUM = 7\n INTEGER, PARAMETER :: ID_PMU_NUM = 8\n INTEGER, PARAMETER :: ID_PMF_NUM = 9\n INTEGER, PARAMETER :: ID_PMC_NUM = 10\n INTEGER, PARAMETER :: ID_N10 = 11\n INTEGER, PARAMETER :: ID_N20 = 12\n INTEGER, PARAMETER :: ID_N40 = 13\n INTEGER, PARAMETER :: ID_N100 = 14\n INTEGER, PARAMETER :: ID_PM_SRF = 15\n INTEGER, PARAMETER :: ID_PMU_SRF = 16\n INTEGER, PARAMETER :: ID_PMF_SRF = 17\n INTEGER, PARAMETER :: ID_PMC_SRF = 18\n INTEGER, PARAMETER :: ID_PM_MASS = 19\n INTEGER, PARAMETER :: ID_PMU_MASS = 20\n INTEGER, PARAMETER :: ID_PMF_MASS = 21\n INTEGER, PARAMETER :: ID_PMC_MASS = 22\n INTEGER, PARAMETER :: ID_PMNUC_MASS = 23\n INTEGER, PARAMETER :: ID_PMAIT_MASS = 24\n INTEGER, PARAMETER :: ID_PMACC_MASS = 25\n INTEGER, PARAMETER :: ID_DRY_DENS = 26\n INTEGER, PARAMETER :: ID_WET_DENS = 27\n INTEGER, PARAMETER :: ID_FPM01 = 28\n INTEGER, PARAMETER :: ID_FPM1 = 29\n INTEGER, PARAMETER :: ID_FPM25 = 30\n INTEGER, PARAMETER :: ID_FPM10 = 31\n INTEGER, PARAMETER :: ID_FPM25to10 = 32\n INTEGER, PARAMETER :: ID_FAMS = 33\n INTEGER, PARAMETER :: ID_PM01 = 34\n INTEGER, PARAMETER :: ID_PM1 = 35\n INTEGER, PARAMETER :: ID_PM25 = 36\n INTEGER, PARAMETER :: ID_PM10 = 37\n INTEGER, PARAMETER :: ID_PM25to10 = 38\n INTEGER, PARAMETER :: ID_PMAMS = 39\n INTEGER, PARAMETER :: ID_PMC_SO4 = 40\n INTEGER, PARAMETER :: ID_PMC_NO3 = 41\n INTEGER, PARAMETER :: ID_PMC_NH4 = 42\n INTEGER, PARAMETER :: ID_PMC_CL = 43\n INTEGER, PARAMETER :: ID_PMC_NA = 44\n INTEGER, PARAMETER :: ID_PMC_MG = 45\n INTEGER, PARAMETER :: ID_PMC_K = 46\n INTEGER, PARAMETER :: ID_PMC_CA = 47\n INTEGER, PARAMETER :: ID_PMF_SO4 = 48\n INTEGER, PARAMETER :: ID_PMF_NO3 = 49\n INTEGER, PARAMETER :: ID_PMF_NH4 = 50\n INTEGER, PARAMETER :: ID_PMF_CL = 51\n INTEGER, PARAMETER :: ID_PMF_NA = 52\n INTEGER, PARAMETER :: ID_PMF_EC = 53\n INTEGER, PARAMETER :: ID_PMF_OC = 54\n INTEGER, PARAMETER :: ID_PMF_OA = 55\n INTEGER, PARAMETER :: ID_PMF_FE = 56\n INTEGER, PARAMETER :: ID_PMF_AL = 57\n INTEGER, PARAMETER :: ID_PMF_SI = 58\n INTEGER, PARAMETER :: ID_PMF_TI = 59\n INTEGER, PARAMETER :: ID_PMF_CA = 60\n INTEGER, PARAMETER :: ID_PMF_MG = 61\n INTEGER, PARAMETER :: ID_PMF_K = 62\n INTEGER, PARAMETER :: ID_PMF_MN = 63\n INTEGER, PARAMETER :: ID_PMF_H2O = 64 \n INTEGER, PARAMETER :: ID_SOIL_IMPV = 65 \n INTEGER, PARAMETER :: ID_PMF_UNSP1 = 66 \n INTEGER, PARAMETER :: ID_PMF_UNSP2 = 67 \n INTEGER, PARAMETER :: ID_PMF_HP = 68 \n INTEGER, PARAMETER :: ID_PMF_HPM = 69 \n INTEGER, PARAMETER :: ID_PMF_PH = 70 \n INTEGER, PARAMETER :: ID_PMF_POC = 71 \n INTEGER, PARAMETER :: ID_PMF_SOC = 72\n INTEGER, PARAMETER :: ID_PMF_POA = 73\n INTEGER, PARAMETER :: ID_PMF_SOA = 74\n INTEGER, PARAMETER :: ID_PMF_NCOM = 75\n INTEGER, PARAMETER :: ID_PMF_OMOC = 76\n INTEGER, PARAMETER :: ID_PMF_OtoC = 77\n INTEGER, PARAMETER :: ID_PMF_ASOA = 78\n INTEGER, PARAMETER :: ID_PMF_BSOA = 79\n INTEGER, PARAMETER :: ID_PMF_CLDGLY = 80\n INTEGER, PARAMETER :: ID_PMF_ISOP = 81\n INTEGER, PARAMETER :: ID_PMF_IEPOX = 82\n INTEGER, PARAMETER :: ID_PMF_MTNSOA = 83\n INTEGER, PARAMETER :: ID_PMF_MTSOA = 84\n INTEGER, PARAMETER :: ID_AMS_SO4 = 85\n INTEGER, PARAMETER :: ID_AMS_NO3 = 86\n INTEGER, PARAMETER :: ID_AMS_NH4 = 87\n INTEGER, PARAMETER :: ID_AMS_CL = 88\n INTEGER, PARAMETER :: ID_AMS_OA = 89\n INTEGER, PARAMETER :: ID_AMS_OTOC = 90\n INTEGER, PARAMETER :: ID_PM1_SO4 = 91\n INTEGER, PARAMETER :: ID_PM1_NO3 = 92\n INTEGER, PARAMETER :: ID_PM1_NH4 = 93\n INTEGER, PARAMETER :: ID_PM1_CL = 94\n INTEGER, PARAMETER :: ID_PM1_NA = 95\n INTEGER, PARAMETER :: ID_PM1_EC = 96\n INTEGER, PARAMETER :: ID_PM1_OC = 97\n INTEGER, PARAMETER :: ID_PM1_OA = 98\n INTEGER, PARAMETER :: ID_PM1_MG = 99\n INTEGER, PARAMETER :: ID_PM1_K = 100\n INTEGER, PARAMETER :: ID_PM1_CA = 101\n INTEGER, PARAMETER :: ID_PM1_OT = 102\n INTEGER, PARAMETER :: ID_PM1_FE = 103\n INTEGER, PARAMETER :: ID_PM1_SI = 104\n INTEGER, PARAMETER :: ID_PM1_TI = 105\n INTEGER, PARAMETER :: ID_PM1_MN = 106\n INTEGER, PARAMETER :: ID_PM1_AL = 107\n INTEGER, PARAMETER :: ID_PM1_SOIL = 108\n INTEGER, PARAMETER :: ID_PM1_UNSP1 = 109\n INTEGER, PARAMETER :: ID_PM1_UN = 110\n INTEGER, PARAMETER :: ID_PM1_HP = 111\n INTEGER, PARAMETER :: ID_PM25_SO4 = 112\n INTEGER, PARAMETER :: ID_PM25_NO3 = 113\n INTEGER, PARAMETER :: ID_PM25_NH4 = 114\n INTEGER, PARAMETER :: ID_PM25_CL = 115\n INTEGER, PARAMETER :: ID_PM25_NA = 116\n INTEGER, PARAMETER :: ID_PM25_EC = 117\n INTEGER, PARAMETER :: ID_PM25_OC = 118\n INTEGER, PARAMETER :: ID_PM25_OA = 119\n INTEGER, PARAMETER :: ID_PM25_MG = 120\n INTEGER, PARAMETER :: ID_PM25_K = 121\n INTEGER, PARAMETER :: ID_PM25_CA = 122\n INTEGER, PARAMETER :: ID_PM25_OT = 123\n INTEGER, PARAMETER :: ID_PM25_FE = 124\n INTEGER, PARAMETER :: ID_PM25_SI = 125\n INTEGER, PARAMETER :: ID_PM25_TI = 126\n INTEGER, PARAMETER :: ID_PM25_MN = 127\n INTEGER, PARAMETER :: ID_PM25_AL = 128\n INTEGER, PARAMETER :: ID_PM25_SOIL = 129\n INTEGER, PARAMETER :: ID_PM25_UNSP1 = 130\n INTEGER, PARAMETER :: ID_PM25_UN = 131\n INTEGER, PARAMETER :: ID_PM25_HP = 132\n INTEGER, PARAMETER :: ID_PM25to10_SO4=133\n INTEGER, PARAMETER :: ID_PM25to10_NO3=134\n INTEGER, PARAMETER :: ID_PM25to10_NH4=135\n INTEGER, PARAMETER :: ID_PM25to10_CL =136\n INTEGER, PARAMETER :: ID_PM25to10_NA =137\n INTEGER, PARAMETER :: ID_PM25_HDSL =138\n INTEGER, PARAMETER :: ID_PM25_HBE =139\n INTEGER, PARAMETER :: ID_PM25_HCD =140\n INTEGER, PARAMETER :: ID_PM25_HCR3 =141\n INTEGER, PARAMETER :: ID_PM25_HCR6 =142\n INTEGER, PARAMETER :: ID_PM25_HCR =143\n INTEGER, PARAMETER :: ID_PM25_HPB =144\n INTEGER, PARAMETER :: ID_PM25_HMN =145\n INTEGER, PARAMETER :: ID_PM25_HNI =146\n INTEGER, PARAMETER :: ID_PM25_HAS =147\n INTEGER, PARAMETER :: ID_PM25_HG =148\n INTEGER, PARAMETER :: ID_PM10_HDSL =149\n INTEGER, PARAMETER :: ID_PM10_HBE =150\n INTEGER, PARAMETER :: ID_PM10_HCD =151\n INTEGER, PARAMETER :: ID_PM10_HCR3 =152\n INTEGER, PARAMETER :: ID_PM10_HCR6 =153\n INTEGER, PARAMETER :: ID_PM10_HCR =154\n INTEGER, PARAMETER :: ID_PM10_HPB =155\n INTEGER, PARAMETER :: ID_PM10_HMN =156\n INTEGER, PARAMETER :: ID_PM10_HNI =157\n INTEGER, PARAMETER :: ID_PM10_HAS =158\n INTEGER, PARAMETER :: ID_PM10_HG =159\n INTEGER, PARAMETER :: ID_PM25_BENAPY =160\n INTEGER, PARAMETER :: ID_PM10_BENAPY =161\n INTEGER, PARAMETER :: ID_PMF_BENAPY =162\n INTEGER, PARAMETER :: ID_GAS_BENAPY =163\n INTEGER, PARAMETER :: ID_BENAPY_FAERO=164\n INTEGER, PARAMETER :: ID_TNO3 = 165 \n INTEGER, PARAMETER :: ID_TNO3TOT = 166 \n INTEGER, PARAMETER :: ID_PM25_FRM = 167 \n INTEGER, PARAMETER :: ID_PMF_FRM = 168 \n INTEGER, PARAMETER :: ID_AOD550 = 169 \n INTEGER, PARAMETER :: ID_PMEXT550 = 170\n INTEGER, PARAMETER :: ID_RH = 171\n INTEGER, PARAMETER :: ID_TEMP = 172\n INTEGER, PARAMETER :: ID_SRFTEMP = 173\n INTEGER, PARAMETER :: ID_PRES = 174\n INTEGER, PARAMETER :: ID_GN2O5F = 175\n INTEGER, PARAMETER :: ID_GN2O5C = 176\n INTEGER, PARAMETER :: ID_YCLNO2F = 177\n INTEGER, PARAMETER :: ID_YCLNO2C = 178\n INTEGER, PARAMETER :: ID_GIEPOX = 179\n INTEGER, PARAMETER :: ID_KIEPOX = 180\n INTEGER, PARAMETER :: ID_GIMAE = 181\n INTEGER, PARAMETER :: ID_DZ = 182\n INTEGER, PARAMETER :: ID_ZH = 183\n INTEGER, PARAMETER :: ID_CFRAC = 184\n INTEGER, PARAMETER :: ID_PV = 185\n INTEGER, PARAMETER :: ID_DENS = 186\n INTEGER, PARAMETER :: ID_RHOJ = 187\n INTEGER, PARAMETER :: ID_GAS_HNO3 = 188\n INTEGER, PARAMETER :: ID_GAS_NH3 = 189\n\n TYPE ELDTP\n CHARACTER (LEN = 16) :: NAME !Parameter Name\n INTEGER :: ID !ID Number in Case Statement\n INTEGER :: VAR_TYPE !IOAPI Variable Type\n LOGICAL :: MODE !Is this property mode-dependent?\n CHARACTER (LEN = 16) :: UNIT !Units for Parameter\n CHARACTER (LEN = 80) :: DESC !Description\n END TYPE ELDTP\n\n INTEGER, PARAMETER :: N_ELMO_LIST = 189\n\n TYPE (ELDTP), PARAMETER :: ELMO_LIST( N_ELMO_LIST ) = (/\n &ELDTP( 'STDEV ',ID_STDEV, M3REAL, T, ' ', 'Mode standard deviation (dry and wet)' ),\n &ELDTP( 'DRY_DG ',ID_DRY_DG, M3REAL, T, 'um ', 'Mode mean diameter (dry)' ),\n &ELDTP( 'WET_DG ',ID_WET_DG, M3REAL, T, 'um ', 'Mode mean diameter (wet)' ),\n &ELDTP( 'WET_M2 ',ID_WET_M2, M3REAL, T, 'm2 m-3', 'Mode 2nd moment (wet)' ),\n &ELDTP( 'DRY_M3 ',ID_DRY_M3, M3REAL, T, 'm3 m-3', 'Mode 3rd moment (dry)' ),\n &ELDTP( 'WET_M3 ',ID_WET_M3, M3REAL, T, 'm3 m-3', 'Mode 3rd moment (wet)' ),\n &ELDTP( 'PM_NUM ',ID_PM_NUM, M3REAL, F, 'N m-3' , 'Total Particle Number' ),\n &ELDTP( 'PMU_NUM ',ID_PMU_NUM, M3REAL, F, 'N m-3' , 'Ultrafine-Mode Particle Number' ),\n &ELDTP( 'PMF_NUM ',ID_PMF_NUM, M3REAL, F, 'N m-3' , 'Fine-Mode Particle Number' ),\n &ELDTP( 'PMC_NUM ',ID_PMC_NUM, M3REAL, F, 'N m-3' , 'Coarse-Mode Particle Number' ),\n &ELDTP( 'N10 ',ID_N10, M3REAL, F, 'N m-3' , 'Total Particle Number greater than 10 nm' ),\n &ELDTP( 'N20 ',ID_N20, M3REAL, F, 'N m-3' , 'Total Particle Number greater than 20 nm' ),\n &ELDTP( 'N40 ',ID_N40, M3REAL, F, 'N m-3' , 'Total Particle Number greater than 40 nm' ),\n &ELDTP( 'N100 ',ID_N100, M3REAL, F, 'N m-3' , 'Total Particle Number greater than 100 nm' ),\n &ELDTP( 'PM_SRF ',ID_PM_SRF, M3REAL, F, 'm2 m-3', 'Particle Surface Area' ),\n &ELDTP( 'PMU_SRF ',ID_PMU_SRF, M3REAL, F, 'm2 m-3', 'Ultrafine-Mode Surface Area' ),\n &ELDTP( 'PMF_SRF ',ID_PMF_SRF, M3REAL, F, 'm2 m-3', 'Fine-Mode Surface Area' ),\n &ELDTP( 'PMC_SRF ',ID_PMC_SRF, M3REAL, F, 'm2 m-3', 'Coarse-Mode Surface Area' ),\n &ELDTP( 'PM_MASS ',ID_PM_MASS, M3REAL, F, 'ug m-3', 'Total Particle Mass' ),\n &ELDTP( 'PMU_MASS ',ID_PMU_MASS, M3REAL, F, 'ug m-3', 'Ultrafine Particle Mass' ),\n &ELDTP( 'PMF_MASS ',ID_PMF_MASS, M3REAL, F, 'ug m-3', 'Fine Particle Mass' ),\n &ELDTP( 'PMC_MASS ',ID_PMC_MASS, M3REAL, F, 'ug m-3', 'Coarse Particle Mass' ),\n &ELDTP( 'PMNUC_MASS ',ID_PMNUC_MASS, M3REAL, F, 'ug m-3', 'Nucleation Mode Total PM' ),\n &ELDTP( 'PMAIT_MASS ',ID_PMAIT_MASS, M3REAL, F, 'ug m-3', 'Aitken Mode Total PM' ),\n &ELDTP( 'PMACC_MASS ',ID_PMACC_MASS, M3REAL, F, 'ug m-3', 'Accumulation Mode Total PM' ),\n &ELDTP( 'DRY_DENS ',ID_DRY_DENS, M3REAL, T, 'kg m-3', 'Bulk Density of Particles excluding particle water' ),\n &ELDTP( 'WET_DENS ',ID_WET_DENS, M3REAL, T, 'kg m-3', 'Bulk Density of Particles including particle water' ),\n &ELDTP( 'FPM01 ',ID_FPM01, M3REAL, T, '1 ', 'PM01 fraction of mode' ),\n &ELDTP( 'FPM1 ',ID_FPM1, M3REAL, T, '1 ', 'PM1 fraction of mode' ),\n &ELDTP( 'FPM25 ',ID_FPM25, M3REAL, T, '1 ', 'PM2.5 fraction of mode' ),\n &ELDTP( 'FPM10 ',ID_FPM10, M3REAL, T, '1 ', 'PM10 fraction of mode' ),\n &ELDTP( 'FPM25TO10 ',ID_FPM25to10, M3REAL, T, '1 ', 'PM2.5-10 fraction of mode' ),\n &ELDTP( 'FAMS ',ID_FAMS, M3REAL, T, '1 ', 'AMS Transmission Fraction of mode' ),\n &ELDTP( 'PM01 ',ID_PM01, M3REAL, F, 'ug m-3', 'Bulk PM0.1 Concentration' ), \n &ELDTP( 'PM1 ',ID_PM1, M3REAL, F, 'ug m-3', 'Bulk PM1.0 Concentration' ), \n &ELDTP( 'PM25 ',ID_PM25, M3REAL, F, 'ug m-3', 'Bulk PM2.5 Concentration' ), \n &ELDTP( 'PM10 ',ID_PM10, M3REAL, F, 'ug m-3', 'Bulk PM10.0 Concentration' ),\n &ELDTP( 'PM25TO10 ',ID_PM25to10, M3REAL, F, 'ug m-3', 'Coarse-Mode Total' ),\n &ELDTP( 'PMAMS ',ID_PMAMS, M3REAL, F, 'ug m-3', 'Bulk PM Concentration in AMS' ),\n \n ! Coarse-Mode PM Species \n &ELDTP( 'PMC_SO4 ',ID_PMC_SO4, M3REAL, F, 'ug m-3', 'Coarse-Mode Sulfate' ),\n &ELDTP( 'PMC_NO3 ',ID_PMC_NO3, M3REAL, F, 'ug m-3', 'Coarse-Mode Nitrate' ),\n &ELDTP( 'PMC_NH4 ',ID_PMC_NH4, M3REAL, F, 'ug m-3', 'Coarse-Mode Ammonium' ),\n &ELDTP( 'PMC_CL ',ID_PMC_CL, M3REAL, F, 'ug m-3', 'Coarse-Mode Chloride' ),\n &ELDTP( 'PMC_NA ',ID_PMC_NA, M3REAL, F, 'ug m-3', 'Recon Crs Sodium (.8373*ASEACAT+.0626*ASOIL+.0023*ACORS)' ),\n &ELDTP( 'PMC_MG ',ID_PMC_MG, M3REAL, F, 'ug m-3', 'Recon Crs Magnesium (.0997*ASEACAT+.0170*ASOIL+.0032*ACORS)'),\n &ELDTP( 'PMC_K ',ID_PMC_K, M3REAL, F, 'ug m-3', 'Recon Crs Potasium (.0310*ASEACAT+.0242*ASOIL+.0176*ACORS)' ),\n &ELDTP( 'PMC_CA ',ID_PMC_CA, M3REAL, F, 'ug m-3', 'Recon Crs Calcium (.0320*ASEACAT+.0838*ASOIL+.0562*ACORS)' ),\n \n ! Fine-Mode PM Species \n &ELDTP( 'PMF_SO4 ',ID_PMF_SO4, M3REAL, F, 'ug m-3', 'Fine-Mode Sulfate' ),\n &ELDTP( 'PMF_NO3 ',ID_PMF_NO3, M3REAL, F, 'ug m-3', 'Fine-Mode Nitrate' ),\n &ELDTP( 'PMF_NH4 ',ID_PMF_NH4, M3REAL, F, 'ug m-3', 'Fine-Mode Ammonium' ),\n &ELDTP( 'PMF_CL ',ID_PMF_CL, M3REAL, F, 'ug m-3', 'Fine-Mode Chloride' ),\n &ELDTP( 'PMF_NA ',ID_PMF_NA, M3REAL, F, 'ug m-3', 'Fine-Mode Sodium' ),\n &ELDTP( 'PMF_EC ',ID_PMF_EC, M3REAL, F, 'ug m-3', 'Fine-Mode Black Carbon' ),\n &ELDTP( 'PMF_OC ',ID_PMF_OC, M3REAL, F, 'ugC m-3','Fine-Mode Organic Carbon' ),\n &ELDTP( 'PMF_OA ',ID_PMF_OA, M3REAL, F, 'ug m-3', 'Fine-Mode Organic Aerosol' ),\n &ELDTP( 'PMF_FE ',ID_PMF_FE, M3REAL, F, 'ug m-3', 'Fine-Mode Iron' ),\n &ELDTP( 'PMF_AL ',ID_PMF_AL, M3REAL, F, 'ug m-3', 'Fine-Mode Aluminum' ),\n &ELDTP( 'PMF_SI ',ID_PMF_SI, M3REAL, F, 'ug m-3', 'Fine-Mode Silicon' ),\n &ELDTP( 'PMF_TI ',ID_PMF_TI, M3REAL, F, 'ug m-3', 'Fine-Mode Titanium' ),\n &ELDTP( 'PMF_CA ',ID_PMF_CA, M3REAL, F, 'ug m-3', 'Fine-Mode Calcium' ),\n &ELDTP( 'PMF_MG ',ID_PMF_MG, M3REAL, F, 'ug m-3', 'Fine-Mode Magnesium' ),\n &ELDTP( 'PMF_K ',ID_PMF_K, M3REAL, F, 'ug m-3', 'Fine-Mode Potassium' ),\n &ELDTP( 'PMF_MN ',ID_PMF_MN, M3REAL, F, 'ug m-3', 'Fine-Mode Manganese' ),\n &ELDTP( 'PMF_H2O ',ID_PMF_H2O, M3REAL, F, 'ug m-3', 'Fine-Mode Particle Water' ),\n &ELDTP( 'PMF_SOILIMPV ',ID_SOIL_IMPV, M3REAL, F, 'ug m-3', 'Recon of Soil PM from correlations at IMPROVE sites' ),\n &ELDTP( 'PMF_UN_IMPV1 ',ID_PMF_UNSP1, M3REAL, F, 'ug m-3', 'Unspeciated PM including non-carbon organic mass' ),\n &ELDTP( 'PMF_UN_IMPV2 ',ID_PMF_UNSP2, M3REAL, F, 'ug m-3', 'Unspeciated PM excluding non-carbon organic mass' ),\n &ELDTP( 'PMF_HP ',ID_PMF_HP, M3REAL, F, 'umol m-3','Fine-Mode H+ Ion' ),\n &ELDTP( 'PMF_HPMOLAL ',ID_PMF_HPM, M3REAL, F, 'mol L-1','Fine-Mode Concentration of H+ in Particle Water' ),\n &ELDTP( 'PMF_PH ',ID_PMF_PH, M3REAL, F, '1' , 'Fine-Mode pH' ),\n \n ! Organic Aerosol Relevant Aggregates \n &ELDTP( 'PMF_POC ',ID_PMF_POC, M3REAL, F, 'ugC m-3','Fine-Mode Primary Organic Carbon' ),\n &ELDTP( 'PMF_SOC ',ID_PMF_SOC, M3REAL, F, 'ugC m-3','Fine-Mode Secondary Organic Carbon' ),\n &ELDTP( 'PMF_POA ',ID_PMF_POA, M3REAL, F, 'ug m-3', 'Fine-Mode Primary Organic Aerosol' ),\n &ELDTP( 'PMF_SOA ',ID_PMF_SOA, M3REAL, F, 'ug m-3', 'Fine-Mode Secondary Organic Aerosol' ),\n &ELDTP( 'PMF_NCOM ',ID_PMF_NCOM, M3REAL, F, 'ug m-3', 'Fine-Mode Non-Carbon Organic Matter in POA' ),\n &ELDTP( 'PMF_OMOC ',ID_PMF_OMOC, M3REAL, F, '1 ','Fine-Mode OM/OC' ),\n &ELDTP( 'PMF_OTOC ',ID_PMF_OtoC, M3REAL, F, '1 ','Fine-Mode O:C' ),\n &ELDTP( 'PMF_ASOA ',ID_PMF_ASOA, M3REAL, F, 'ug m-3', 'Fine-Mode Anthropogenic-VOC Derived OA' ),\n &ELDTP( 'PMF_BSOA ',ID_PMF_BSOA, M3REAL, F, 'ug m-3', 'Fine-Mode Biogenic-VOC Derived OA' ),\n &ELDTP( 'PMF_CLDGLY ',ID_PMF_CLDGLY, M3REAL, F, 'ug m-3', 'Fine-Mode SOA from glyoxal and methylglyoxal' ),\n &ELDTP( 'PMF_ISOPSOA ',ID_PMF_ISOP, M3REAL, F, 'ug m-3', 'Fine-Mode Isoprene SOA excl IEPOX SOA' ),\n &ELDTP( 'PMF_IEPOXSOA ',ID_PMF_IEPOX, M3REAL, F, 'ug m-3', 'Fine-Mode IEPOX SOA' ),\n &ELDTP( 'PMF_MTNSOA ',ID_PMF_MTNSOA, M3REAL, F, 'ug m-3', 'Fine-Mode Monoterpene Nitrate SOA' ),\n &ELDTP( 'PMF_MTSOA ',ID_PMF_MTSOA, M3REAL, F, 'ug m-3', 'Fine-Mode Monoterpene SOA excl Nitrates' ),\n \n ! AMS Speciation \n &ELDTP( 'PMAMS_SO4 ',ID_AMS_SO4, M3REAL, F, 'ug m-3', 'Sulfate Collected by the AMS' ),\n &ELDTP( 'PMAMS_NO3 ',ID_AMS_NO3, M3REAL, F, 'ug m-3', 'Nitrate Collected by the AMS' ),\n &ELDTP( 'PMAMS_NH4 ',ID_AMS_NH4, M3REAL, F, 'ug m-3', 'Ammonium Collected by the AMS' ),\n &ELDTP( 'PMAMS_CL ',ID_AMS_CL, M3REAL, F, 'ug m-3', 'Chloride Collected by the AMS' ),\n &ELDTP( 'PMAMS_OA ',ID_AMS_OA, M3REAL, F, 'ug m-3', 'Organic Aerosol Collected by the AMS' ),\n &ELDTP( 'PMAMS_OTOC ',ID_AMS_OTOC, M3REAL, F, 'ug ug-1','O:C Collected and Measured by the AMS' ),\n \n ! PM1 Speciation \n &ELDTP( 'PM1_SO4 ',ID_PM1_SO4, M3REAL, F, 'ug m-3', 'PM1 Sulfate' ),\n &ELDTP( 'PM1_NO3 ',ID_PM1_NO3, M3REAL, F, 'ug m-3', 'PM1 Nitrate' ),\n &ELDTP( 'PM1_NH4 ',ID_PM1_NH4, M3REAL, F, 'ug m-3', 'PM1 Ammonium' ),\n &ELDTP( 'PM1_CL ',ID_PM1_CL, M3REAL, F, 'ug m-3', 'PM1 Chloride' ),\n &ELDTP( 'PM1_NA ',ID_PM1_NA, M3REAL, F, 'ug m-3', 'PM1 Sodium' ),\n &ELDTP( 'PM1_EC ',ID_PM1_EC, M3REAL, F, 'ug m-3', 'PM1 Black Carbon' ),\n &ELDTP( 'PM1_OC ',ID_PM1_OC, M3REAL, F, 'ugC m-3','PM1 Organic Carbon' ),\n &ELDTP( 'PM1_OA ',ID_PM1_OA, M3REAL, F, 'ug m-3', 'PM1 Organic Aerosol' ),\n &ELDTP( 'PM1_MG ',ID_PM1_MG, M3REAL, F, 'ug m-3', 'PM1 Magnesium' ),\n &ELDTP( 'PM1_K ',ID_PM1_K, M3REAL, F, 'ug m-3', 'PM1 Potassium' ),\n &ELDTP( 'PM1_CA ',ID_PM1_CA, M3REAL, F, 'ug m-3', 'PM1 Calcium' ),\n &ELDTP( 'PM1_OTHER ',ID_PM1_OT, M3REAL, F, 'ug m-3', 'PM1 Other Mass' ),\n &ELDTP( 'PM1_FE ',ID_PM1_FE, M3REAL, F, 'ug m-3', 'PM1 Iron' ),\n &ELDTP( 'PM1_SI ',ID_PM1_SI, M3REAL, F, 'ug m-3', 'PM1 Silicon' ),\n &ELDTP( 'PM1_TI ',ID_PM1_TI, M3REAL, F, 'ug m-3', 'PM1 Titanium' ),\n &ELDTP( 'PM1_MN ',ID_PM1_MN, M3REAL, F, 'ug m-3', 'PM1 Manganese' ),\n &ELDTP( 'PM1_AL ',ID_PM1_AL, M3REAL, F, 'ug m-3', 'PM1 Aluminum' ),\n &ELDTP( 'PM1_SOIL ',ID_PM1_SOIL, M3REAL, F, 'ug m-3', 'PM1 Recon Soil (Fine) and Explicit (Coarse)' ),\n &ELDTP( 'PM1_UNSP1 ',ID_PM1_UNSP1, M3REAL, F, 'ug m-3', 'PM1 Unsp. Coarse Mass for the IMPROVE Method' ),\n &ELDTP( 'PM1_UNSPCRS ',ID_PM1_UN, M3REAL, F, 'ug m-3', 'PM1 Unspeciated Coarse Mass' ),\n &ELDTP( 'PM1_HP ',ID_PM1_HP, M3REAL, F, 'ug m-3', 'PM1 H+ Ion' ),\n \n ! PM2.5 Speciation \n &ELDTP( 'PM25_SO4 ',ID_PM25_SO4, M3REAL, F, 'ug m-3', 'PM2.5 Sulfate' ),\n &ELDTP( 'PM25_NO3 ',ID_PM25_NO3, M3REAL, F, 'ug m-3', 'PM2.5 Nitrate' ),\n &ELDTP( 'PM25_NH4 ',ID_PM25_NH4, M3REAL, F, 'ug m-3', 'PM2.5 Ammonium' ),\n &ELDTP( 'PM25_CL ',ID_PM25_CL, M3REAL, F, 'ug m-3', 'PM2.5 Chloride' ),\n &ELDTP( 'PM25_NA ',ID_PM25_NA, M3REAL, F, 'ug m-3', 'PM2.5 Sodium' ),\n &ELDTP( 'PM25_EC ',ID_PM25_EC, M3REAL, F, 'ug m-3', 'PM2.5 Black Carbon' ),\n &ELDTP( 'PM25_OC ',ID_PM25_OC, M3REAL, F, 'ugC m-3','PM2.5 Organic Carbon' ),\n &ELDTP( 'PM25_OA ',ID_PM25_OA, M3REAL, F, 'ug m-3', 'PM2.5 Organic Aerosol' ),\n &ELDTP( 'PM25_MG ',ID_PM25_MG, M3REAL, F, 'ug m-3', 'PM2.5 Magnesium' ),\n &ELDTP( 'PM25_K ',ID_PM25_K, M3REAL, F, 'ug m-3', 'PM2.5 Potassium' ),\n &ELDTP( 'PM25_CA ',ID_PM25_CA, M3REAL, F, 'ug m-3', 'PM2.5 Calcium' ),\n &ELDTP( 'PM25_OTHER ',ID_PM25_OT, M3REAL, F, 'ug m-3', 'PM2.5 Other Mass' ),\n &ELDTP( 'PM25_FE ',ID_PM25_FE, M3REAL, F, 'ug m-3', 'PM2.5 Iron' ),\n &ELDTP( 'PM25_SI ',ID_PM25_SI, M3REAL, F, 'ug m-3', 'PM2.5 Silicon' ),\n &ELDTP( 'PM25_TI ',ID_PM25_TI, M3REAL, F, 'ug m-3', 'PM2.5 Titanium' ),\n &ELDTP( 'PM25_MN ',ID_PM25_MN, M3REAL, F, 'ug m-3', 'PM2.5 Manganese' ),\n &ELDTP( 'PM25_AL ',ID_PM25_AL, M3REAL, F, 'ug m-3', 'PM2.5 Aluminum' ),\n &ELDTP( 'PM25_SOIL ',ID_PM25_SOIL, M3REAL, F, 'ug m-3', 'PM2.5 Recon Soil (Fine) and Explicit (Coarse)' ),\n &ELDTP( 'PM25_UNSP1 ',ID_PM25_UNSP1, M3REAL, F, 'ug m-3', 'PM2.5 Unsp. Coarse Mass for the IMPROVE method' ),\n &ELDTP( 'PM25_UNSPCRS ',ID_PM25_UN, M3REAL, F, 'ug m-3', 'PM2.5 Unspeciated Coarse Mass' ),\n &ELDTP( 'PM25_HP ',ID_PM25_HP, M3REAL, F, 'ug m-3', 'PM2.5 H+ Ion' ),\n\n ! PM2.5-10.0 Speciation\n &ELDTP( 'PM25TO10_SO4 ',ID_PM25to10_SO4,M3REAL,F, 'ug m-3', 'Coarse-Mode Sulfate' ),\n &ELDTP( 'PM25TO10_NO3 ',ID_PM25to10_NO3,M3REAL,F, 'ug m-3', 'Coarse-Mode Nitrate' ),\n &ELDTP( 'PM25TO10_NH4 ',ID_PM25to10_NH4,M3REAL,F, 'ug m-3', 'Coarse-Mode Ammonium' ),\n &ELDTP( 'PM25TO10_CL ',ID_PM25to10_CL, M3REAL,F, 'ug m-3', 'Coarse-Mode Chloride' ),\n &ELDTP( 'PM25TO10_NA ',ID_PM25to10_NA, M3REAL,F, 'ug m-3', 'Coarse-Mode Sodium' ),\n\n ! PM Toxics that are part of the Multipollutant (mp) Mechanism\n &ELDTP( 'PM25_HDIESEL ',ID_PM25_HDSL, M3REAL,F, 'ug m-3', 'PM2.5 Diesel Total from HAP inventory' ),\n &ELDTP( 'PM25_HBE ',ID_PM25_HBE, M3REAL,F, 'ug m-3', 'PM2.5 Beryllium from HAP inventory' ),\n &ELDTP( 'PM25_HCD ',ID_PM25_HCD, M3REAL,F, 'ug m-3', 'PM2.5 Cadmium from HAP inventory' ),\n &ELDTP( 'PM25_HCR3 ',ID_PM25_HCR3, M3REAL,F, 'ug m-3', 'PM2.5 Chromium-III from HAP inventory' ),\n &ELDTP( 'PM25_HCR6 ',ID_PM25_HCR6, M3REAL,F, 'ug m-3', 'PM2.5 Chromium-VI from HAP inventory' ),\n &ELDTP( 'PM25_HCR ',ID_PM25_HCR, M3REAL,F, 'ug m-3', 'PM2.5 Chromium Total from HAP inventory' ),\n &ELDTP( 'PM25_HPB ',ID_PM25_HPB, M3REAL,F, 'ug m-3', 'PM2.5 Lead from HAP inventory' ),\n &ELDTP( 'PM25_HMN ',ID_PM25_HMN, M3REAL,F, 'ug m-3', 'PM2.5 Manganese from HAP inventory' ),\n &ELDTP( 'PM25_HNI ',ID_PM25_HNI, M3REAL,F, 'ug m-3', 'PM2.5 Nickel from HAP inventory' ),\n &ELDTP( 'PM25_HAS ',ID_PM25_HAS, M3REAL,F, 'ug m-3', 'PM2.5 Arsenic from HAP inventory' ),\n &ELDTP( 'PM25_HG ',ID_PM25_HG, M3REAL,F, 'ug m-3', 'PM2.5 Mercury from HAP inventory' ),\n &ELDTP( 'PM10_HDIESEL ',ID_PM10_HDSL, M3REAL,F, 'ug m-3', 'PM10.0 Diesel Total from HAP inventory' ),\n &ELDTP( 'PM10_HBE ',ID_PM10_HBE, M3REAL,F, 'ug m-3', 'PM10.0 Beryllium from HAP inventory' ),\n &ELDTP( 'PM10_HCD ',ID_PM10_HCD, M3REAL,F, 'ug m-3', 'PM10.0 Cadmium from HAP inventory' ),\n &ELDTP( 'PM10_HCR3 ',ID_PM10_HCR3, M3REAL,F, 'ug m-3', 'PM10.0 Chromium-III from HAP inventory' ),\n &ELDTP( 'PM10_HCR6 ',ID_PM10_HCR6, M3REAL,F, 'ug m-3', 'PM10.0 Chromium-VI from HAP inventory' ),\n &ELDTP( 'PM10_HCR ',ID_PM10_HCR, M3REAL,F, 'ug m-3', 'PM10.0 Chromium Total from HAP inventory' ),\n &ELDTP( 'PM10_HPB ',ID_PM10_HPB, M3REAL,F, 'ug m-3', 'PM10.0 Lead from HAP inventory' ),\n &ELDTP( 'PM10_HMN ',ID_PM10_HMN, M3REAL,F, 'ug m-3', 'PM10.0 Manganese from HAP inventory' ),\n &ELDTP( 'PM10_HNI ',ID_PM10_HNI, M3REAL,F, 'ug m-3', 'PM10.0 Nickel from HAP inventory' ),\n &ELDTP( 'PM10_HAS ',ID_PM10_HAS, M3REAL,F, 'ug m-3', 'PM10.0 Arsenic from HAP inventory' ),\n &ELDTP( 'PM10_HG ',ID_PM10_HG, M3REAL,F, 'ug m-3', 'PM10.0 Mercury from HAP inventory' ),\n &ELDTP( 'PM25_BENAPY ',ID_PM25_BENAPY, M3REAL,F, 'ug m-3', 'PM2.5 Benzo-a-Pyrene' ),\n &ELDTP( 'PM10_BENAPY ',ID_PM10_BENAPY, M3REAL,F, 'ug m-3', 'PM10.0 Benzo-a-Pyrene' ),\n &ELDTP( 'PMF_BENAPY ',ID_PMF_BENAPY, M3REAL,F, 'ug m-3', 'Fine-Mode Benzo-a-Pyrene' ),\n &ELDTP( 'GAS_BENAPY ',ID_GAS_BENAPY, M3REAL,F, 'ug m-3', 'Gas-Phase Benzo-a-Pyrene' ),\n &ELDTP( 'BENAPY_FAERO ',ID_BENAPY_FAERO,M3REAL,F, '', 'Benzo-a-Pyrene Aerosol-Phase Fraction' ),\n &ELDTP( 'GAS_HNO3 ',ID_GAS_HNO3, M3REAL,F, 'ug m-3', 'Gas-Phase Nitric Acid' ),\n &ELDTP( 'GAS_NH3 ',ID_GAS_NH3, M3REAL,F, 'ug m-3', 'Gas-Phase Ammonia' ),\n\n ! Other Special Variables and Properties\n &ELDTP( 'TNO3 ',ID_TNO3, M3REAL, F, 'ug m-3', 'Total Nitrate only Including Inorganics' ),\n &ELDTP( 'TNO3TOT ',ID_TNO3TOT, M3REAL, F, 'ug m-3', 'Total Nitrate including Inorganics and Organics' ),\n &ELDTP( 'PM25_FRM ',ID_PM25_FRM, M3REAL, F, 'ug m-3', 'Federal Reference Method PM2.5' ),\n &ELDTP( 'PMF_FRM ',ID_PMF_FRM, M3REAL, F, 'ug m-3', 'Federal Reference Method PMIJ' ),\n &ELDTP( 'AOD_550 ',ID_AOD550, M3REAL, F, '1 ', 'Aerosol Optical Depth at 550 nm -Angstrom interp' ),\n &ELDTP( 'PM_EXT_550 ',ID_PMEXT550, M3REAL, F, 'Mm-1 ', 'Aerosol Extinction at 550 nm -Angstrom interp' ),\n &ELDTP( 'RH ',ID_RH, M3REAL, F, '1 ', 'Relative humidity' ),\n &ELDTP( 'TA ',ID_TEMP, M3REAL, F, 'K ', 'Temperature' ),\n &ELDTP( 'TSURF ',ID_SRFTEMP, M3REAL, F, 'K ', '2-meter Surface Temperature' ),\n &ELDTP( 'PRES ',ID_PRES, M3REAL, F, 'Pa ', 'Pressure' ),\n &ELDTP( 'GAMMA_N2O5 ',ID_GN2O5F, M3REAL, F, '1 ', 'Fine Mode N2O5 Heterogeneous rxn probability' ),\n &ELDTP( 'GAMMA_N2O5K ',ID_GN2O5C, M3REAL, F, '1 ', 'Coarse Mode N2O5 Heterogeneous rxn probability' ),\n &ELDTP( 'YIELD_CLNO2 ',ID_YCLNO2F, M3REAL, F, '1 ', 'Fine Mode CLNO2 Heterogeneous reaction yield' ),\n &ELDTP( 'YIELD_CLNO2K ',ID_YCLNO2C, M3REAL, F, '1 ', 'Coarse Mode CLNO2 Heterogeneous reaction yield' ),\n &ELDTP( 'GAMMA_IEPOX ',ID_GIEPOX, M3REAL, F, '1 ', 'IEPOX heterogeneous uptake coefficient' ),\n &ELDTP( 'K_IEPOX ',ID_KIEPOX, M3REAL, F, 's-1 ', 'IEPOX 1st order particle phase reaction rate const' ),\n &ELDTP( 'GAMMA_IMAE ',ID_GIMAE, M3REAL, F, '1 ', 'IMAE+HMML heterogeneous uptake coefficient' ),\n &ELDTP( 'DZ ',ID_DZ, M3REAL, F, 'm ', 'Height of each grid cell computed from top layer height' ),\n &ELDTP( 'ZH ',ID_ZH, M3REAL, F, 'm ', 'Height of grid cell midpoints (mass-weighted)' ),\n &ELDTP( 'CFRAC ',ID_CFRAC, M3REAL, F, ' ', 'Cloud Fraction' ),\n &ELDTP( 'PV ',ID_PV, M3REAL, F, ' ', 'Potential Vorticity' ),\n &ELDTP( 'DENS ',ID_DENS, M3REAL, F, 'kg m-3', 'Advected Density' ),\n &ELDTP( 'RHOJ ',ID_RHOJ, M3REAL, F, 'kg m-3', 'Advected Density x Jacobian/MSFX^2' ) /)\n \n\n TYPE ELMO_KEY_TYPE\n CHARACTER( 24 ) :: WORD ! Keyword for selecting mulitple ELMO parameters\n INTEGER :: N ! Number of Parameters associated with the Keyword\n CHARACTER( 16 ),ALLOCATABLE :: LIST(:) ! List of parameters\n END TYPE ELMO_KEY_TYPE\n\n TYPE (ELMO_KEY_TYPE), ALLOCATABLE, SAVE :: ELMO_KEY( : )\n INTEGER, SAVE :: N_KEY\n\n INTEGER, SAVE :: MAP_ID2LIST( N_ELMO_LIST ) \n\n ! Variables for Storing Values of ELMO Output \n REAL, ALLOCATABLE, SAVE :: ELMO_INST( :,:,:,: )\n REAL, ALLOCATABLE, SAVE :: ELMO_AVRG( :,:,:,: )\n REAL, ALLOCATABLE, SAVE :: ELMO_LOCAL( : )\n LOGICAL, ALLOCATABLE, SAVE :: L_CALC( : )\n REAL, ALLOCATABLE, SAVE :: CONC_VEC( : )\n INTEGER, SAVE :: C1, R1, L1\n\n ! Variables for Aerosol Chemistry\n REAL, SAVE, ALLOCATABLE :: GAMMA_N2O5IJ( :,:,: ) ! Fine modes N2O5 rx effic.\n REAL, SAVE, ALLOCATABLE :: GAMMA_N2O5K( :,:,: ) ! Coarse mode N2O5 rx effic.\n REAL, SAVE, ALLOCATABLE :: KPARTIEPOX ( :,:,: ) ! IEPOX particle-phase reaction rate constant (sec-1)\n REAL, SAVE, ALLOCATABLE :: GAMMA_IEPOX( :,:,: ) ! IEPOX uptake coeff\n REAL, SAVE, ALLOCATABLE :: GAMMA_IMAE ( :,:,: ) ! IMAE uptake coeff\n REAL, SAVE, ALLOCATABLE :: YCLNO2IJ ( :,:,: ) ! Yield CLNO2 in Fine modes \n REAL, SAVE, ALLOCATABLE :: YCLNO2K ( :,:,: ) ! Yield CLNO2 in coarse mode \n \n LOGICAL, SAVE :: AERO_CHEM_SET = .FALSE.\n \n ! Define type for storing coeffieicnets and variable indices for\n ! aggregating PM diagnostics like ATOTIJ, ACLK, etc.\n TYPE ELMO_COEFFS_TYPE\n LOGICAL L_MAPPED ! Record whether or not this aggregate has been mapped\n INTEGER N_VARS ! Number of variables to store coefficients for. \n ! This should not account for modes. For example, \n ! to sum ASO4IJK, N_VARS would be 1 since only \n ! ASO4 is being used.\n LOGICAL, ALLOCATABLE :: L_GAS(:) ! Is this variable a gas?\n LOGICAL, ALLOCATABLE :: L_SPC(:) ! Is this variable a CMAQ species?\n LOGICAL, ALLOCATABLE :: L_AGG(:) ! Is this variable another aggregated diagnostic parameter?\n LOGICAL, ALLOCATABLE :: L_MODE(:) ! For which modes does this aggregate apply\n INTEGER, ALLOCATABLE :: I_SPEC(:) ! Index of this Variable in Aerosol/Gas/Aggregate Array\n REAL, ALLOCATABLE :: COEFF(:) ! Coefficient for each variable\n INTEGER INLET ! Integer pointing to the corresponding inlet of choice \n ! in the ELMO_INLET structure\n INTEGER WETNESS ! Integer prescribing wet or dry aerosol (1 = wet, 2 = dry)\n ! Default is wet\n END TYPE ELMO_COEFFS_TYPE\n\n TYPE (ELMO_COEFFS_TYPE), ALLOCATABLE, SAVE :: ELMO_COEFFS( : ) \n\n\n TYPE ELMO_INLET_TYPE\n CHARACTER( 16 ) CINLET ! Inlet Name\n REAL DIAM_LO ! Lower Diameter of this Inlet [um]\n REAL DIAM_HI ! Upper Diameter of this inlet [um]\n END TYPE ELMO_INLET_TYPE\n\n INTEGER, PARAMETER :: N_INLET = 10\n INTEGER, PARAMETER :: IPM01 = 1, IPM1 = 2, IPM25 = 3, IPM10 = 4, \n & IPM25to10 = 5, IPMAMS = 6, INUM10 = 7,\n & INUM20 = 8, INUM40 = 9, INUM100 = 10\n INTEGER, PARAMETER :: IWET = 1, IDRY = 2\n\n TYPE (ELMO_INLET_TYPE), PARAMETER :: ELMO_INLET( N_INLET ) = (/\n ! Inlet Name D_Lo D_Hi\n ! ---------- ---- ----\n & ELMO_INLET_TYPE( 'PM01 ', 0.0, 0.1 ),\n & ELMO_INLET_TYPE( 'PM1 ', 0.0, 1.0 ),\n & ELMO_INLET_TYPE( 'PM25 ', 0.0, 2.5 ),\n & ELMO_INLET_TYPE( 'PM10 ', 0.0, 10.0 ),\n & ELMO_INLET_TYPE( 'PM25TO10', 2.5, 10.0 ),\n & ELMO_INLET_TYPE( 'PMAMS ', 0.0, 0.0 ),\n & ELMO_INLET_TYPE( 'INUM10 ', 0.01,1.0e3),\n & ELMO_INLET_TYPE( 'INUM20 ', 0.02,1.0e3),\n & ELMO_INLET_TYPE( 'INUM40 ', 0.04,1.0e3),\n & ELMO_INLET_TYPE( 'INUM100 ', 0.1, 1.0e3) /)\n\n REAL, SAVE :: INLET_FRAC( N_INLET,N_MODE,2 ) ! Fraction of each aerosol mode \n ! collected by each inlet\n ! Third dimension is 1\n ! for wet and 2 for dry\n\n REAL, ALLOCATABLE, SAVE :: ELMO_AOD_550(:,:), ! total aerosol optical depth at \n ! 550 nm (Angstrom Interpolation) \n & ELMO_EXT_550(:,:,:)! aerosol extinction at 550 nm for layer [1/m]\n\n CONTAINS\n\n!------------------------------------------------------------------------------------------ \n subroutine elmo_init_shared\n!------------------------------------------------------------------------------------------ \n use grid_conf, only : ncols, nrows, nlays\n\n implicit none\n\n integer ios\n character(32) :: pname = 'ELMO_INIT_SHARED'\n\n allocate( elmo_aod_550(ncols, nrows ), stat=ios)\n call checkmem( ios, 'ELMO_AOD_550',pname )\n elmo_aod_550 = 0.0\n\n allocate( elmo_ext_550(ncols, nrows, nlays ), stat=ios)\n call checkmem( ios, 'ELMO_EXT_550',pname )\n elmo_ext_550 = 0.0\n\n end subroutine elmo_init_shared\n!------------------------------------------------------------------------------------------ \n\n END MODULE ELMO_DATA\n" }, { "path": "CCTM/src/driver/ELMO_PROC.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n!-----------------------------------------------------------------------\n MODULE ELMO_PROC\n!-----------------------------------------------------------------------\n! This module will collect all procedures used for subsetting the \n! pm diagnostic variables requested by the user. It will also\n! open the output files and do the actual calculations of \n! diagnostic variables of interest.\n!\n! Revision History:\n! Ben Murphy 2020 Feb: Created\n!-----------------------------------------------------------------------\n\n USE UTILIO_DEFN\n USE ELMO_DATA\n USE GRID_CONF, ONLY: NCOLS, NROWS, NLAYS, IO_PE_INCLUSIVE\n\n IMPLICIT NONE\n\n LOGICAL, SAVE :: INST_ACTIVE, AVRG_ACTIVE\n INTEGER, SAVE :: INST_LAYER_TOP, INST_LAYER_BOT,\n & AVRG_LAYER_TOP, AVRG_LAYER_BOT\n\n CHARACTER(16), ALLOCATABLE, SAVE :: \n & INST_VARS_NML( : ), AVRG_VARS_NML( : ),\n & INST_PARS( : ), AVRG_PARS( : ),\n & INST_PARS_OUT(:), AVRG_PARS_OUT(:),\n & INST_UNIT_OUT(:), AVRG_UNIT_OUT(:)\n\n CHARACTER(80), ALLOCATABLE, SAVE :: \n & INST_DESC_OUT( : ), AVRG_DESC_OUT( : )\n\n INTEGER, SAVE :: N_ELMO, N_ELMO_OUT, NTOT_ELMO_IDS, \n & N_ELMO_INST, N_ELMO_AVRG,\n & N_ELMO_INST_OUT, N_ELMO_AVRG_OUT\n\n INTEGER, ALLOCATABLE, SAVE :: \n & MAP_INST2USED( : ), MAP_AVRG2USED( : ), \n & USED_ELMO_ID( : ), USED_ELMO_MODE( : ),\n & INST_TYPE_OUT( : ), AVRG_TYPE_OUT( : ),\n & MAP_ID2USED( :,: ),\n & USED_CGRID_ID(:), USED_FAM_ID(:)\n\n CONTAINS\n\n!-------------------------------------------------------------------------\n SUBROUTINE READ_ELMO_NML( )\n! This subroutine maps the PM diagnostic variables that the user has\n! requested to the entries in the ELMO_DATA table.\n!-------------------------------------------------------------------------\n \n USE RUNTIME_VARS, ONLY: MISC_CTRL, LOGDEV\n USE CGRID_SPCS, ONLY: CGRID_NAME, N_CGRID_SPC\n USE UTIL_FAMILY_MODULE, ONLY: N_Chem_Fams,ChemFamilyName,\n & Map_Chem_Families\n USE GRID_CONF, ONLY : MYPE\n \n IMPLICIT NONE\n\n INTEGER, PARAMETER :: N_NML = 1000\n INTEGER :: INUM, J, N_END, I1, I2, I3, I4, JNUM\n INTEGER :: FUNIT\n INTEGER :: STAT\n LOGICAL, SAVE :: INSTANT =.TRUE., \n & AVERAGE =.TRUE.\n\n CHARACTER( 16 ), SAVE :: PNAME = 'READ_ELMO_NML'\n CHARACTER( 200 ) :: XMSG\n INTEGER IOS\n LOGICAL EXPAND_NML\n LOGICAL, ALLOCATABLE :: FAM_LIST(:)\n\n NAMELIST / elmo_activate / instant, average \n NAMELIST / elmo_inst / inst_layer_top, \n & inst_layer_bot, inst_vars_nml\n NAMELIST / elmo_avrg / avrg_layer_top, \n & avrg_layer_bot, avrg_vars_nml\n\n ALLOCATE( INST_VARS_NML( N_NML ), STAT = IOS )\n CALL CHECKMEM( IOS, 'INST_VARS_NML',PNAME )\n ALLOCATE( AVRG_VARS_NML( N_NML ), STAT = IOS )\n CALL CHECKMEM( IOS, 'AVRG_VARS_NML',PNAME )\n ALLOCATE( FAM_LIST( N_CGRID_SPC ), STAT = IOS )\n CALL CHECKMEM( IOS, 'FAM_LIST',PNAME )\n \n\n INST_ACTIVE = .TRUE.\n INST_LAYER_TOP = 1\n INST_LAYER_BOT = 1\n INST_VARS_NML(:) = ''\n AVRG_ACTIVE = .TRUE.\n AVRG_LAYER_TOP = 1\n AVRG_LAYER_BOT = 1\n AVRG_VARS_NML(:) = ''\n\n ! Retrieve the Name of the Emission Control File\n IF ( MISC_CTRL .EQ. \"MISC_CTRL_NML\" ) THEN\n WRITE( LOGDEV, \"(5x,A,/,5x,A,/,5x,A)\"),\n & 'You have chosen not to indicate the location of an',\n & 'Emission Control namelist file. Default settings ',\n & 'will be assumed.'\n RETURN\n END IF\n\n ! Open Emission Control Namelist File\n FUNIT = JUNIT()\n OPEN( FILE = MISC_CTRL, UNIT = FUNIT, STATUS = 'OLD',\n & POSITION = 'REWIND', FORM='FORMATTED', IOSTAT = STAT )\n\n ! Check for Error in File Open Process\n IF ( STAT .NE. 0 ) THEN\n WRITE( XMSG, '(A,A,A)' ),'ERROR: Could not read ',\n & 'emissions control namelist file: ',TRIM( MISC_CTRL )\n CALL M3EXIT( PNAME, 0, 0, XMSG, 1 )\n END IF\n \n ! Read Toggles for Turning Instantaneous and Average Files On/Off\n REWIND( FUNIT )\n READ( NML = elmo_activate, UNIT = FUNIT, IOSTAT=STAT )\n IF ( STAT .NE. 0 ) THEN\n WRITE( LOGDEV, \"(5x,A,/,5x,A,/,5x,A,/,5x,A)\" ),\n & 'Warning! Something went wrong while reading the ',\n & 'ELMO_ACTIVATE section of the CMAQ Control ',\n & 'Namelist. Default values for this section will be ',\n & 'assumed.'\n END IF\n INST_ACTIVE = INSTANT\n AVRG_ACTIVE = AVERAGE\n L_ELMO = ( INST_ACTIVE .OR. AVRG_ACTIVE )\n#ifdef mpas\n L_ELMO = .false. \n#endif\n \n IF ( .NOT. L_ELMO ) THEN\n DEALLOCATE( FAM_LIST ) \n RETURN\n END IF\n\n CALL POPULATE_ELMO_KEY\n\n ! Read Desired ELMO_INST parameters from input namelist\n REWIND( FUNIT )\n READ( NML = elmo_inst, UNIT = FUNIT, IOSTAT=STAT )\n IF ( STAT .NE. 0 ) THEN\n WRITE( LOGDEV, \"(5x,A,/,5x,A,/,5x,A,/,5x,A)\" ),\n & 'Warning! Something went wrong while reading the ',\n & 'ELMO_INST section of the CMAQ Control ',\n & 'Namelist. Default values for this section will be ',\n & 'assumed.'\n END IF\n\n ! Expand INST list Using Keywords\n N_END = INDEX1( '', N_NML, INST_VARS_NML ) - 1\n IF ( N_END .LE. 0 ) THEN\n WRITE( XMSG, '(A,A)' ),'ERROR: Undefined variables requested ',\n & 'for Instaneous ELMO output '\n CALL M3EXIT( PNAME, 0, 0, XMSG, 1 )\n END IF\n INUM = 1\n DO WHILE ( INUM .LE. N_END )\n CALL UPCASE( INST_VARS_NML( INUM ) )\n EXPAND_NML = .FALSE.\n IF ( INST_VARS_NML( INUM )(1:1) .EQ. '*' ) THEN\n EXPAND_NML = .TRUE.\n INST_VARS_NML( INUM ) = INST_VARS_NML( INUM )(2:16)//' '\n END IF\n\n I1 = INDEX1( INST_VARS_NML( INUM ), N_ELMO_LIST, ELMO_LIST%NAME )\n I2 = INDEX1( INST_VARS_NML( INUM ), N_KEY, ELMO_KEY%WORD )\n I3 = INDEX1( INST_VARS_NML( INUM ), N_CGRID_SPC, CGRID_NAME )\n I4 = 0\n IF ( N_Chem_Fams .GT. 0 ) \n & I4 = INDEX1( INST_VARS_NML( INUM ), N_Chem_Fams, CHEMFAMILYNAME )\n\n IF ( INST_VARS_NML( INUM ) .EQ. 'ALL' ) THEN\n ! Add All Diagnostic Parameters to the End of the Registry List\n INST_VARS_NML( N_END+1:N_END+N_ELMO_LIST ) = ELMO_LIST%NAME\n N_END = N_END + N_ELMO_LIST\n \n ! Add All Raw Output Species to the End of the Registry List\n INST_VARS_NML( N_END+1:N_END+N_CGRID_SPC ) = CGRID_NAME(1:N_CGRID_SPC)\n N_END = N_END + N_CGRID_SPC\n\n ! Add All Family Names defined in the Emission Control\n ! Interface to the End of the Registry List\n IF ( N_Chem_Fams .GT. 0 ) \n & INST_VARS_NML( N_END+1:N_END+N_Chem_Fams ) = \n & CHEMFAMILYNAME(1:N_Chem_Fams)\n N_END = N_END + N_Chem_Fams\n\n ! Remove \"All\" Keyword\n INST_VARS_NML( INUM:N_END-1 ) = INST_VARS_NML( INUM+1:N_END )\n INST_VARS_NML( N_END ) = ''\n N_END = N_END - 1\n ELSE IF ( INST_VARS_NML( INUM ) .EQ. 'ALLCONC' ) THEN\n ! Add All Raw Output Species to the End of the Registry List\n INST_VARS_NML( N_END+1:N_END+N_CGRID_SPC ) = CGRID_NAME(1:N_CGRID_SPC)\n N_END = N_END + N_CGRID_SPC\n\n ! Remove 'ALLCONC' Keyword from INST Parameter List\n INST_VARS_NML( INUM:N_END-1 ) = INST_VARS_NML( INUM+1:N_END )\n INST_VARS_NML( N_END ) = ''\n N_END = N_END - 1 \n ELSE IF ( I1 .GT. 0 ) THEN\n ! Entry Matches a parameter on the ELMO list. \n INUM = INUM + 1\n ELSE IF ( I2 .GT. 0 ) THEN\n ! ELMO Keyword. Add parameters associated with a keyword\n INST_VARS_NML( N_END+1:N_END+ELMO_KEY( I2 )%N ) =\n & ELMO_KEY( I2 )%LIST\n N_END = N_END + ELMO_KEY( I2 )%N\n INST_VARS_NML( INUM:N_END-1 ) = INST_VARS_NML( INUM+1:N_END )\n INST_VARS_NML( N_END ) = ''\n N_END = N_END - 1\n ELSE IF ( I3 .GT. 0 ) THEN\n ! CMAQ Raw Model Species. Go to Next Entry\n INUM = INUM + 1\n ELSE IF ( I4 .GT. 0 ) THEN\n ! CMAQ Chemical Family. Go to Next entry or expand if the * was\n ! used\n IF ( EXPAND_NML ) THEN\n CALL MAP_CHEM_FAMILIES( INST_VARS_NML( INUM ),\n & CGRID_NAME, N_CGRID_SPC, FAM_LIST )\n DO J = 1,N_CGRID_SPC\n IF ( FAM_LIST(J) ) THEN\n N_END = N_END + 1\n INST_VARS_NML( N_END ) = CGRID_NAME( J )\n END IF\n END DO \n ! Remove family Name after expansion\n INST_VARS_NML( INUM:N_END-1 ) = INST_VARS_NML( INUM+1:N_END )\n INST_VARS_NML( N_END ) = ''\n N_END = N_END - 1\n ELSE\n INUM = INUM + 1\n END IF\n ELSE\n ! Entry Doesn't Match any parameter or Keyword. Crash the\n ! model.\n XMSG = 'An Instantaneous ELMO Parameter ' // TRIM( INST_VARS_NML( INUM )) //\n & ' has been requested that does not exist.'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n END DO\n\n ! Capitalize Entries and Remove Duplicates\n DO INUM = 1,N_END\n CALL UPCASE( INST_VARS_NML( INUM ) )\n ENDDO\n DO INUM = 1,N_END-1\n JNUM = INUM + 1\n DO WHILE ( JNUM .LE. N_END )\n IF ( INST_VARS_NML( INUM ) .EQ. '' ) THEN\n JNUM = N_END + 1\n ELSEIF ( INST_VARS_NML( INUM ) .EQ. INST_VARS_NML( JNUM ) ) THEN\n INST_VARS_NML( JNUM:N_END-1 ) = INST_VARS_NML( JNUM+1:N_END )\n INST_VARS_NML( N_END ) = ''\n ELSE\n JNUM = JNUM + 1\n END IF\n END DO\n END DO\n\n ! Populate Final INST_PARS parameters list\n N_ELMO_INST = INDEX1( '', N_NML, INST_VARS_NML ) - 1\n ALLOCATE( INST_PARS( N_ELMO_INST ), STAT=IOS )\n CALL CHECKMEM( IOS, 'INST_PARS',PNAME )\n INST_PARS = INST_VARS_NML( 1:N_ELMO_INST )\n\n ! Check Top-Layer Specification\n IF ( INST_LAYER_TOP .EQ. -1 ) INST_LAYER_TOP = NLAYS\n IF ( INST_LAYER_TOP .LE. 0 .OR. INST_LAYER_TOP .GT. NLAYS ) THEN\n XMSG = 'INST_LAYER_TOP must be prescribed between 1 and NLAYS,' //\n & ' or set to -1 to automatically choose NLAYS.'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n IF ( INST_LAYER_BOT .LE. 0 .OR. INST_LAYER_BOT .GT. NLAYS ) THEN\n XMSG = 'INST_LAYER_BOT must be prescribed between 1 and NLAYS.'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n IF ( INST_LAYER_BOT .GT. INST_LAYER_TOP ) THEN\n XMSG = 'INST_LAYER_BOT must be less than or equal to INST_LAYER_TOP.'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n NLAY_ELMO_INST = INST_LAYER_TOP - INST_LAYER_BOT + 1\n\n ! Read Desired ELMO_AVRG parameters from input namelist\n REWIND( FUNIT )\n READ( NML = elmo_avrg, UNIT = FUNIT, IOSTAT=STAT )\n IF ( STAT .NE. 0 ) THEN\n WRITE( LOGDEV, \"(5x,A,/,5x,A,/,5x,A,/,5x,A)\" ),\n & 'Warning! Something went wrong while reading the ',\n & 'ELMO_AVRG section of the CMAQ Control ',\n & 'Namelist. Default values for this section will be ',\n & 'assumed.'\n END IF\n \n ! Expand AVRG list Using Keywords\n N_END = INDEX1( '', N_NML, AVRG_VARS_NML ) - 1\n IF ( N_END .LE. 0 ) THEN\n WRITE( XMSG, '(A,A)' ),'ERROR: Undefined variables requested ',\n & 'for Average ELMO output '\n CALL M3EXIT( PNAME, 0, 0, XMSG, 1 )\n END IF\n INUM = 1\n DO WHILE ( INUM .LE. N_END )\n CALL UPCASE( AVRG_VARS_NML( INUM ) )\n EXPAND_NML = .FALSE.\n IF ( AVRG_VARS_NML( INUM )(1:1) .EQ. '*' ) THEN\n EXPAND_NML = .TRUE.\n AVRG_VARS_NML( INUM ) = AVRG_VARS_NML( INUM )(2:16)//' '\n END IF\n\n I1 = INDEX1( AVRG_VARS_NML( INUM ), N_ELMO_LIST, ELMO_LIST%NAME )\n I2 = INDEX1( AVRG_VARS_NML( INUM ), N_KEY, ELMO_KEY%WORD )\n I3 = INDEX1( AVRG_VARS_NML( INUM ), N_CGRID_SPC, CGRID_NAME )\n I4 = 0\n IF ( N_Chem_Fams .GT. 0 ) \n & I4 = INDEX1( AVRG_VARS_NML( INUM ), N_Chem_Fams, CHEMFAMILYNAME )\n\n IF ( AVRG_VARS_NML( INUM ) .EQ. 'ALL' ) THEN\n ! Add All Parameters to the End of the Registry List\n AVRG_VARS_NML( N_END+1:N_END+N_ELMO_LIST ) = ELMO_LIST%NAME\n N_END = N_END + N_ELMO_LIST\n\n ! Add All Raw Output Species to the End of the Registry List\n AVRG_VARS_NML( N_END+1:N_END+N_CGRID_SPC ) = CGRID_NAME(1:N_CGRID_SPC)\n N_END = N_END + N_CGRID_SPC\n\n ! Add All Family Names defined in the Emission Control\n ! Interface to the End of the Registry List\n IF ( N_Chem_Fams .GT. 0 ) \n & AVRG_VARS_NML( N_END+1:N_END+N_Chem_Fams ) = \n & CHEMFAMILYNAME(1:N_Chem_Fams)\n N_END = N_END + N_Chem_Fams\n \n ! Remove 'ALL' Keyword from AVRG Parameter List\n AVRG_VARS_NML( INUM:N_END-1 ) = AVRG_VARS_NML( INUM+1:N_END )\n AVRG_VARS_NML( N_END ) = ''\n N_END = N_END - 1\n ELSE IF ( AVRG_VARS_NML( INUM ) .EQ. 'ALLCONC' ) THEN\n ! Add All Raw Output Species to the End of the Registry List\n AVRG_VARS_NML( N_END+1:N_END+N_CGRID_SPC ) = CGRID_NAME(1:N_CGRID_SPC)\n N_END = N_END + N_CGRID_SPC\n\n ! Remove 'ALLCONC' Keyword from AVRG Parameter List\n AVRG_VARS_NML( INUM:N_END-1 ) = AVRG_VARS_NML( INUM+1:N_END )\n AVRG_VARS_NML( N_END ) = ''\n N_END = N_END - 1\n ELSE IF ( I1 .GT. 0 ) THEN\n ! Entry Matches a parameter on the ELMO list. \n INUM = INUM + 1\n ELSE IF ( I2 .GT. 0 ) THEN\n ! Add Parameters associated with a keyword\n AVRG_VARS_NML( N_END+1:N_END+ELMO_KEY( I2 )%N ) =\n & ELMO_KEY( I2 )%LIST\n N_END = N_END + ELMO_KEY( I2 )%N\n AVRG_VARS_NML( INUM:N_END-1 ) = AVRG_VARS_NML( INUM+1:N_END )\n AVRG_VARS_NML( N_END ) = ''\n N_END = N_END - 1\n ELSE IF ( I3 .GT. 0 ) THEN\n ! CMAQ Raw Model Species. Go to Next Entry\n INUM = INUM + 1\n ELSE IF ( I4 .GT. 0 ) THEN\n ! CMAQ Chemical Family. Go to Next entry or expand if the * was\n ! used\n IF ( EXPAND_NML ) THEN\n CALL MAP_CHEM_FAMILIES( AVRG_VARS_NML( INUM ),\n & CGRID_NAME, N_CGRID_SPC, FAM_LIST )\n DO J = 1,N_CGRID_SPC\n IF ( FAM_LIST(J) ) THEN\n N_END = N_END + 1\n AVRG_VARS_NML( N_END ) = CGRID_NAME( J )\n END IF\n END DO \n ! Remove family Name after expansion\n AVRG_VARS_NML( INUM:N_END-1 ) = AVRG_VARS_NML( INUM+1:N_END )\n AVRG_VARS_NML( N_END ) = ''\n N_END = N_END - 1\n ELSE\n INUM = INUM + 1\n END IF\n \n ELSE\n ! Entry Doesn't Match any parameter or Keyword. Crash the\n ! model.\n XMSG = 'An Average ELMO Parameter ' // TRIM( AVRG_VARS_NML( INUM )) //\n & ' has been requested that does not exist.'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n END DO\n\n ! Capitalize Entries and Remove Duplicates\n DO INUM = 1,N_END\n CALL UPCASE( AVRG_VARS_NML( INUM ) )\n ENDDO\n DO INUM = 1,N_END-1\n JNUM = INUM + 1\n DO WHILE ( JNUM .LE. N_END )\n IF ( AVRG_VARS_NML( INUM ) .EQ. '' ) THEN\n JNUM = N_END + 1\n ELSEIF ( AVRG_VARS_NML( INUM ) .EQ. AVRG_VARS_NML( JNUM ) ) THEN\n AVRG_VARS_NML( JNUM:N_END-1 ) = AVRG_VARS_NML( JNUM+1:N_END )\n AVRG_VARS_NML( N_END ) = ''\n ELSE\n JNUM = JNUM + 1\n END IF\n END DO\n END DO\n \n ! Populate INST_PARS parameters list\n N_ELMO_AVRG = INDEX1( '', N_NML, AVRG_VARS_NML ) - 1\n ALLOCATE( AVRG_PARS( N_ELMO_AVRG ), STAT = IOS )\n CALL CHECKMEM( IOS, 'AVRG_PARS',PNAME )\n AVRG_PARS = AVRG_VARS_NML( 1:N_ELMO_AVRG )\n \n ! Check Top-Layer Specification\n IF ( AVRG_LAYER_TOP .EQ. -1 ) AVRG_LAYER_TOP = NLAYS\n IF ( AVRG_LAYER_TOP .LE. 0 .OR. AVRG_LAYER_TOP .GT. NLAYS ) THEN\n XMSG = 'AVRG_LAYER_TOP must be prescribed between 1 and NLAYS,' //\n & ' or set to -1 to automatically choose NLAYS.'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n IF ( AVRG_LAYER_BOT .LE. 0 .OR. AVRG_LAYER_BOT .GT. NLAYS ) THEN\n XMSG = 'AVRG_LAYER_BOT must be prescribed between 1 and NLAYS.'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n IF ( AVRG_LAYER_BOT .GT. AVRG_LAYER_TOP ) THEN\n XMSG = 'AVRG_LAYER_BOT must be less than or equal to AVRG_LAYER_TOP.'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n NLAY_ELMO_AVRG = AVRG_LAYER_TOP - AVRG_LAYER_BOT + 1\n \n DEALLOCATE( FAM_LIST )\n\n END SUBROUTINE READ_ELMO_NML\n\n!-------------------------------------------------------------------------\n SUBROUTINE POPULATE_ELMO_KEY\n! This subroutine allocates and populates the structure of potential\n! keywords to which users may refer to activate various diagnostic\n! parameters. It also contains the definitions of the ocntents of\n! each keyword.\n!-------------------------------------------------------------------------\n USE CGRID_SPCS, ONLY: CGRID_NAME, N_CGRID_SPC\n \n IMPLICIT NONE\n\n INTEGER IOS, ALLOCSTAT\n CHARACTER(200) :: XMSG\n CHARACTER(16), SAVE :: PNAME = 'ELMO_KEY'\n\n N_KEY = 25\n ALLOCATE( ELMO_KEY( N_KEY ), STAT=IOS )\n CALL CHECKMEM( IOS, 'ELMO_KEY',PNAME )\n\n ! Define AMET Variables\n ELMO_KEY( 1 )%WORD = 'DEFAULT'\n ELMO_KEY( 1 )%N = 14\n ALLOCATE( ELMO_KEY( 1 )%LIST( 14 ),STAT=IOS )\n CALL CHECKMEM( IOS, 'ELMO_KEY(1)%LIST',PNAME )\n\n ELMO_KEY( 1 )%LIST = (/'AMET ','CUTOFF_FRACTIONS',\n & 'MASS ','PM_NUM ','PMF_NUM ',\n & 'PMC_NUM ','MET ','CHEM ', \n & 'FINE_SPECIES ','COARSE_SPECIES ','PM25_SPECIES ',\n & 'SIZE ','AMS ','PM25TO10_SPECIES' /)\n\n ELMO_KEY( 2 )%WORD = 'AMET'\n ELMO_KEY( 2 )%N = 35\n ALLOCATE( ELMO_KEY( 2 )%LIST( 35 ), STAT=IOS )\n CALL CHECKMEM( IOS, 'ELMO_KEY(2)%LIST',PNAME )\n\n ELMO_KEY( 2 )%LIST = (/'PMF_MASS ','PMF_FRM ','PMC_MASS ',\n & 'PMF_OC ','PMF_EC ','PMF_NA ','PMF_CL ',\n & 'PMF_SO4 ','PMF_NO3 ','PMF_NH4 ','PM25 ',\n & 'PM25_FRM ','PM25_SO4 ','PM25_NO3 ','PM25_NH4 ',\n & 'PM25_OC ','PM25_EC ','PMF_FE ','PMF_AL ',\n & 'PMF_SI ','PMF_TI ','PMF_CA ','PMF_MG ',\n & 'PMF_K ','PMF_MN ','PMF_SOILIMPV','PMF_UN_IMPV1',\n & 'PMF_NCOM ','PMF_UN_IMPV2','TNO3 ','PM_MASS ',\n & 'PMC_MASS ','MET ','Tsurf ','AOD_550 ' /)\n\n ELMO_KEY( 3 )%WORD = 'MASS'\n ELMO_KEY( 3 )%N = 11\n ALLOCATE( ELMO_KEY( 3 )%LIST( 11 ), STAT=IOS )\n CALL CHECKMEM( IOS, 'ELMO_KEY(3)%LIST',PNAME )\n\n ELMO_KEY( 3 )%LIST = (/'PMF_MASS ','PMC_MASS ','PM01 ','PM1 ',\n & 'PM25 ','PM10 ','PM25TO10 ','PMU_MASS ','PMAMS ',\n & 'PMAIT_MASS','PMACC_MASS' /)\n \n ELMO_KEY( 4 )%WORD = 'NUMBER'\n ELMO_KEY( 4 )%N = 7\n ALLOCATE( ELMO_KEY( 4 )%LIST( 7 ), STAT=IOS )\n CALL CHECKMEM( IOS, 'ELMO_KEY(4)%LIST',PNAME )\n\n ELMO_KEY( 4 )%LIST = (/'PM_NUM ','PMF_NUM','PMC_NUM','N10 ',\n & 'N20 ','N40 ','N100 ' /)\n \n ELMO_KEY( 5 )%WORD = 'SIZE'\n ELMO_KEY( 5 )%N = 9\n ALLOCATE( ELMO_KEY( 5 )%LIST( 9 ), STAT=IOS )\n CALL CHECKMEM( IOS, 'ELMO_KEY(5)%LIST',PNAME )\n\n ELMO_KEY( 5 )%LIST = (/'NUMBER ','DRY_DG ','WET_DG ','STDEV ',\n & 'DRY_M3 ','WET_M3 ','WET_M2 ','DRY_DENS','WET_DENS' /)\n \n ELMO_KEY( 6 )%WORD = 'SURFACE'\n ELMO_KEY( 6 )%N = 5\n ALLOCATE( ELMO_KEY( 6 )%LIST( 5 ), STAT=ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating ELMO_KEY(6)'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n\n ELMO_KEY( 6 )%LIST = (/'PM_SRF ','PMU_SRF','PMF_SRF','PMC_SRF','WET_M2 '/)\n \n ELMO_KEY( 7 )%WORD = 'ORGANIC'\n ELMO_KEY( 7 )%N = 6\n ALLOCATE( ELMO_KEY( 7 )%LIST( 6 ), STAT=ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating ELMO_KEY(7)'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n\n ELMO_KEY( 7 )%LIST = (/'FINE_ORG ','PM1_OC ','PM1_OA ',\n & 'PMAMS_OA ','PMAMS_OTOC','PM25_OA '/)\n\n ELMO_KEY( 8 )%WORD = 'MET'\n ELMO_KEY( 8 )%N = 3\n ALLOCATE( ELMO_KEY( 8 )%LIST( 3 ), STAT=ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating ELMO_KEY(8)'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n\n ELMO_KEY( 8 )%LIST = (/'TA ','PRES','RH ' /) \n\n ELMO_KEY( 9 )%WORD = 'CHEM'\n ELMO_KEY( 9 )%N = 7\n ALLOCATE( ELMO_KEY( 9 )%LIST( 7 ),STAT=ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating ELMO_KEY(9)'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n\n ELMO_KEY( 9 )%LIST = (/'GAMMA_N2O5 ','GAMMA_N2O5K ','YIELD_CLNO2 ',\n & 'YIELD_CLNO2K','GAMMA_IEPOX ','K_IEPOX ','GAMMA_IMAE ' /)\n\n ELMO_KEY( 10 )%WORD = 'FINE_SPECIES'\n ELMO_KEY( 10 )%N = 17\n ALLOCATE( ELMO_KEY( 10 )%LIST( 17 ),STAT=ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating ELMO_KEY(10)'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n\n ELMO_KEY( 10 )%LIST = (/'PMF_SO4 ','PMF_NO3 ','PMF_NH4 ',\n & 'PMF_CL ','PMF_NA ','PMF_EC ','PMF_OC ',\n & 'PMF_OA ','PMF_H2O ','PMF_SOILIMPV','PMF_UN_IMPV1',\n & 'PMF_UN_IMPV2','PMF_HP ','PMF_HPMOLAL ','PMF_PH ',\n & 'FINE_ORG ','PMF_MASS ' /)\n\n ELMO_KEY( 11 )%WORD = 'COARSE_SPECIES'\n ELMO_KEY( 11 )%N = 8\n ALLOCATE( ELMO_KEY( 11 )%LIST( 8 ), STAT=ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating ELMO_KEY(11)'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n\n ELMO_KEY( 11 )%LIST = (/'PMC_MASS','PMC_SO4 ','PMC_NO3 ','PMC_NH4 ',\n & 'PMC_NA ','PMC_MG ','PMC_K ','PMC_CA ' /)\n\n ELMO_KEY( 12 )%WORD = 'AMS_SPECIES'\n ELMO_KEY( 12 )%N = 7\n ALLOCATE( ELMO_KEY( 12 )%LIST( 7 ), STAT=ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating ELMO_KEY(12)'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n\n ELMO_KEY( 12 )%LIST = (/'PMAMS ','PMAMS_SO4 ','PMAMS_NO3 ',\n & 'PMAMS_NH4 ','PMAMS_CL ','PMAMS_OA ','PMAMS_OTOC' /)\n\n ELMO_KEY( 13 )%WORD = 'PM1_SPECIES'\n ELMO_KEY( 13 )%N = 21\n ALLOCATE( ELMO_KEY( 13 )%LIST( 21 ),STAT=ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating ELMO_KEY(13)'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n\n ELMO_KEY( 13 )%LIST = (/'PM1 ','PM1_SO4 ','PM1_NO3 ',\n & 'PM1_NH4 ','PM1_CL ','PM1_NA ','PM1_EC ',\n & 'PM1_OC ','PM1_OA ','PM1_MG ','PM1_K ',\n & 'PM1_CA ','PM1_OTHER ','PM1_FE ','PM1_SI ',\n & 'PM1_TI ','PM1_MN ','PM1_AL ','PM1_SOIL ',\n & 'PM1_UNSP1 ','PM1_UNSPCRS' /)\n\n ELMO_KEY( 14 )%WORD = 'PM25_SPECIES'\n ELMO_KEY( 14 )%N = 22\n ALLOCATE( ELMO_KEY( 14 )%LIST( 22 ), STAT=ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating ELMO_KEY(14)'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n\n ELMO_KEY( 14 )%LIST = (/'PM25 ','PM25_SO4 ','PM25_NO3 ',\n & 'PM25_NH4 ','PM25_CL ','PM25_NA ','PM25_EC ',\n & 'PM25_OC ','PM25_OA ','PM25_MG ','PM25_K ',\n & 'PM25_CA ','PM25_OTHER ','PM25_FE ','PM25_SI ',\n & 'PM25_TI ','PM25_MN ','PM25_AL ','PM25_SOIL ',\n & 'PM25_UNSP1 ','PM25_UNSPCRS','PM25_HP ' /)\n\n ELMO_KEY( 15 )%WORD = 'PM25TO10_SPECIES'\n ELMO_KEY( 15 )%N = 6\n ALLOCATE( ELMO_KEY( 15 )%LIST( 6 ), STAT=ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating ELMO_KEY(15)'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n\n ELMO_KEY( 15 )%LIST = (/'PM25TO10 ','PM25TO10_SO4','PM25TO10_NO3',\n & 'PM25TO10_NH4','PM25TO10_CL ','PM25TO10_NA ' /)\n\n ELMO_KEY( 16 )%WORD = 'OPTICAL'\n ELMO_KEY( 16 )%N = 2\n ALLOCATE( ELMO_KEY( 16 )%LIST( 2 ), STAT=ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating ELMO_KEY(16)'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n\n ELMO_KEY( 16 )%LIST = (/'AOD_550 ','PM_EXT_550'/)\n\n ELMO_KEY( 17 )%WORD = 'FINE_ORG'\n ELMO_KEY( 17 )%N = 16\n ALLOCATE( ELMO_KEY( 17 )%LIST( 16 ), STAT=ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating ELMO_KEY(17)'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n\n ELMO_KEY( 17 )%LIST = (/'PMF_POC ','PMF_SOC ','PMF_POA ',\n & 'PMF_SOA ','PMF_NCOM ','PMF_OMOC ','PMF_OTOC ',\n & 'PMF_ASOA ','PMF_BSOA ','PMF_CLDGLY ','PMF_ISOPSOA ',\n & 'PMF_IEPOXSOA','PMF_MTNSOA ','PMF_MTSOA ','PMF_OC ',\n & 'PMF_OA ' /)\n\n ELMO_KEY( 18 )%WORD = 'CUTOFF_FRACTIONS'\n ELMO_KEY( 18 )%N = 6\n ALLOCATE( ELMO_KEY( 18 )%LIST( 6 ), STAT=ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating ELMO_KEY(18)'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n\n ELMO_KEY( 18 )%LIST = (/'FPM01 ','FPM1 ','FPM25 ',\n & 'FPM10 ','FPM25TO10','FAMS ' /)\n\n ELMO_KEY( 19 )%WORD = 'TOXICS'\n ELMO_KEY( 19 )%N = 21\n ALLOCATE( ELMO_KEY( 19 )%LIST( 21 ), STAT=ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating ELMO_KEY(19)'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n\n ELMO_KEY( 19 )%LIST = (/'PM25_HDIESEL','PM25_HBE ','PM25_HCD ',\n & 'PM25_HCR3 ','PM25_HCR6 ','PM25_HCR ','PM25_HPB ',\n & 'PM25_HMN ','PM25_HNI ','PM25_HAS ','PM25_HG ',\n & 'PM10_HDIESEL','PM10_HBE ','PM10_HCD ','PM10_HCR3 ',\n & 'PM10_HCR6 ','PM10_HCR ','PM10_HPB ','PM10_HMN ',\n & 'PM10_HAS ','PM10_HG ' /)\n\n ELMO_KEY( 20 )%WORD = 'SIMPLE'\n ELMO_KEY( 20 )%N = 2\n ALLOCATE( ELMO_KEY( 20 )%LIST( 2 ), STAT=ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating ELMO_KEY(20)'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n\n ELMO_KEY( 20 )%LIST = (/'PM25','PM10'/)\n \n ELMO_KEY( 21 )%WORD = 'AMS'\n ELMO_KEY( 21 )%N = 5\n ALLOCATE( ELMO_KEY( 21 )%LIST( 5 ), STAT=ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating ELMO_KEY(21)'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n\n ELMO_KEY( 21 )%LIST = (/'PMAMS_CL ','PMAMS_NH4','PMAMS_NO3',\n & 'PMAMS_OA ','PMAMS_SO4'/)\n \n ! Satellite Retrieval products\n ELMO_KEY( 22 )%WORD = 'SAT'\n ELMO_KEY( 22 )%N = 2\n ALLOCATE( ELMO_KEY( 22 )%LIST( 2 ), STAT=ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating ELMO_KEY(22)'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n ELMO_KEY( 22 )%LIST = (/'SATMET ','SATCONC'/)\n \n ! Satellite Retrieval Met Products\n ELMO_KEY( 23 )%WORD = 'SATMET'\n ELMO_KEY( 23 )%N = 7\n ALLOCATE( ELMO_KEY( 23 )%LIST( 7 ), STAT=ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating ELMO_KEY(23)'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n ELMO_KEY( 23 )%LIST = (/'DENS ','DZ ','ZH ','CFRAC','PV ',\n & 'PRES ','TA '/)\n \n ! Satellite Retrieval products\n ELMO_KEY( 24 )%WORD = 'SATCONC'\n ELMO_KEY( 24 )%N = 7\n ALLOCATE( ELMO_KEY( 24 )%LIST( 7 ), STAT=ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating ELMO_KEY(24)'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n ELMO_KEY( 24 )%LIST = (/'NO2 ','SO2 ','O3 ','CO ',\n & 'FORM ','NH3 ','AOD_550'/)\n \n ! All Concentrations\n ELMO_KEY( 25 )%WORD = 'ALLCONC'\n ELMO_KEY( 25 )%N = N_CGRID_SPC\n ALLOCATE( ELMO_KEY( 25 )%LIST( N_CGRID_SPC ), STAT=ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating ELMO_KEY(24)'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n ELMO_KEY( 25 )%LIST = CGRID_NAME(:)\n \n \n\n END SUBROUTINE POPULATE_ELMO_KEY\n\n\n!-------------------------------------------------------------------------\n SUBROUTINE MAP_ELMO\n! This subroutine maps the PM diagnostic variables that the user has\n! requested to the entries in the ELMO_DATA table.\n!-------------------------------------------------------------------------\n \n USE AERO_DATA, ONLY: N_MODE, AEROMODE\n USE CGRID_SPCS, ONLY : N_CGRID_SPC, CGRID_NAME, \n & CGRID_CONC_UNIT, CGRID_CONC_DESC\n USE UTIL_FAMILY_MODULE, ONLY: N_Chem_Fams,ChemFamilyName\n USE GRID_CONF, ONLY : MYPE\n\n IMPLICIT NONE\n\n INTEGER N, M, P, J, IM, ILIST, S, F\n CHARACTER( 16 ), SAVE :: PNAME = 'MAP_ELMO'\n CHARACTER( 300 ) :: XMSG\n INTEGER ALLOCSTAT, IOS\n\n ! Read User-Input from Namelist input file (Emission Control File\n ! For Now)\n CALL ELMO_INIT_SHARED()\n CALL READ_ELMO_NML()\n IF ( .NOT. L_ELMO ) RETURN\n\n ! Map user-defined INST_PARS and AVRG_PARS arrays to the ELMO \n ! parameters available on the ELMO_LIST. \n N_ELMO = 0\n \n ALLOCATE( USED_ELMO_MODE( N_ELMO_LIST*N_MODE+N_CGRID_SPC+N_Chem_Fams ),\n & USED_ELMO_ID( N_ELMO_LIST*N_MODE+N_CGRID_SPC+N_Chem_Fams ),\n & USED_CGRID_ID( N_ELMO_LIST*N_MODE+N_CGRID_SPC+N_Chem_Fams ),\n & USED_FAM_ID( N_ELMO_LIST*N_MODE+N_CGRID_SPC+N_Chem_Fams ),\n & MAP_ID2USED( N_ELMO_LIST+N_CGRID_SPC+N_Chem_Fams,N_MODE ),\n & STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating USED_ELMO_MODE, USED_ELMO_ID, ' // \n & 'or MAP_ID2USED'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n USED_ELMO_MODE = 0\n USED_ELMO_ID = 0\n USED_CGRID_ID = 0\n USED_FAM_ID = 0\n MAP_ID2USED = 0\n\n ! Map Parameter ID's to ELMO_List Entries\n MAP_ID2LIST = 0\n DO ILIST = 1,N_ELMO_LIST\n MAP_ID2LIST( ELMO_LIST( ILIST )%ID ) = ILIST\n END DO\n\n ! Initialize number of IDs as equal to the number of Diagnostic\n ! Parameters\n NTOT_ELMO_IDS = N_ELMO_LIST\n\n IF ( INST_ACTIVE ) THEN\n ALLOCATE( MAP_INST2USED( N_ELMO_INST*N_MODE+N_CGRID_SPC+N_Chem_Fams ),\n & INST_PARS_OUT( N_ELMO_INST*N_MODE+N_CGRID_SPC+N_Chem_Fams ) ,\n & INST_TYPE_OUT( N_ELMO_INST*N_MODE+N_CGRID_SPC+N_Chem_Fams ) ,\n & INST_UNIT_OUT( N_ELMO_INST*N_MODE+N_CGRID_SPC+N_Chem_Fams ) ,\n & INST_DESC_OUT( N_ELMO_INST*N_MODE+N_CGRID_SPC+N_Chem_Fams ),\n & STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating MAP_INST2USED, etc., '\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n\n ! Initialize number of Instantaneous Output Variables\n N_ELMO_INST_OUT = 0\n\n ! Loop over all user-requested Instantaneous parameter and link\n ! each to parameter IDs, Units, descriptions, etc.\n DO J = 1,N_ELMO_INST\n N = INDEX1( INST_PARS( J ), N_ELMO_LIST, ELMO_LIST%NAME )\n S = INDEX1( INST_PARS( J ), N_CGRID_SPC, CGRID_NAME )\n F = 0\n IF ( N_Chem_Fams .GT. 0 ) \n & F = INDEX1( INST_PARS( J ), N_Chem_Fams, CHEMFAMILYNAME )\n\n IF ( N .NE. 0 ) THEN\n ! Add Room for the Other Modes if this Parameter is\n ! Mode-Dependent\n IF ( ELMO_LIST( N )%MODE ) THEN\n DO IM = 1,N_MODE\n ! Add Entry for this Parameter\n N_ELMO = N_ELMO + 1\n N_ELMO_INST_OUT = N_ELMO_INST_OUT + 1\n USED_ELMO_ID( N_ELMO ) = ELMO_LIST(N)%ID\n USED_ELMO_MODE( N_ELMO ) = IM\n MAP_ID2USED( ELMO_LIST(N)%ID,IM) = N_ELMO\n MAP_INST2USED( N_ELMO_INST_OUT ) = N_ELMO\n\n INST_PARS_OUT( N_ELMO_INST_OUT ) = \n & TRIM(INST_PARS( J )) // aeromode( IM )%suff\n INST_TYPE_OUT( N_ELMO_INST_OUT ) = ELMO_LIST( N )%VAR_TYPE\n INST_UNIT_OUT( N_ELMO_INST_OUT ) = ELMO_LIST( N )%UNIT\n INST_DESC_OUT( N_ELMO_INST_OUT ) = ELMO_LIST( N )%DESC\n END DO\n ELSE\n ! Add Entry for this Parameter\n N_ELMO = N_ELMO + 1\n N_ELMO_INST_OUT = N_ELMO_INST_OUT + 1\n USED_ELMO_ID( N_ELMO ) = ELMO_LIST(N)%ID\n USED_ELMO_MODE( N_ELMO ) = 1\n MAP_ID2USED( ELMO_LIST(N)%ID,1 ) = N_ELMO\n MAP_INST2USED( N_ELMO_INST_OUT ) = N_ELMO\n INST_PARS_OUT( N_ELMO_INST_OUT ) = INST_PARS( J )\n INST_TYPE_OUT( N_ELMO_INST_OUT ) = ELMO_LIST( N )%VAR_TYPE \n INST_UNIT_OUT( N_ELMO_INST_OUT ) = ELMO_LIST( N )%UNIT \n INST_DESC_OUT( N_ELMO_INST_OUT ) = ELMO_LIST( N )%DESC \n END IF\n ELSEIF ( S .GT. 0 ) THEN\n ! Add Entry for CMAQ Model Species\n N_ELMO = N_ELMO + 1\n N_ELMO_INST_OUT = N_ELMO_INST_OUT + 1\n NTOT_ELMO_IDS = NTOT_ELMO_IDS + 1\n USED_ELMO_ID( N_ELMO ) = NTOT_ELMO_IDS\n USED_CGRID_ID( N_ELMO ) = S\n USED_ELMO_MODE( N_ELMO ) = 1\n MAP_ID2USED( NTOT_ELMO_IDS,1 ) = N_ELMO\n MAP_INST2USED( N_ELMO_INST_OUT ) = N_ELMO\n\n INST_PARS_OUT( N_ELMO_INST_OUT ) = INST_PARS( J )\n INST_TYPE_OUT( N_ELMO_INST_OUT ) = M3REAL \n INST_UNIT_OUT( N_ELMO_INST_OUT ) = CGRID_CONC_UNIT(S)\n INST_DESC_OUT( N_ELMO_INST_OUT ) = \n & 'Instantaneous ' // CGRID_CONC_DESC(S) \n\n ELSEIF ( F .GT. 0 ) THEN\n ! Add Entry for Chemical Family\n N_ELMO = N_ELMO + 1\n N_ELMO_INST_OUT = N_ELMO_INST_OUT + 1\n NTOT_ELMO_IDS = NTOT_ELMO_IDS + 1\n USED_ELMO_ID( N_ELMO ) = NTOT_ELMO_IDS\n USED_FAM_ID( N_ELMO ) = F\n USED_ELMO_MODE( N_ELMO ) = 1\n MAP_ID2USED( NTOT_ELMO_IDS,1 ) = N_ELMO\n MAP_INST2USED( N_ELMO_INST_OUT ) = N_ELMO\n\n INST_PARS_OUT( N_ELMO_INST_OUT ) = INST_PARS( J )\n INST_TYPE_OUT( N_ELMO_INST_OUT ) = M3REAL \n INST_UNIT_OUT( N_ELMO_INST_OUT ) = 'ppmV for Gas. ug m-3 for PM' \n INST_DESC_OUT( N_ELMO_INST_OUT ) = 'Chemical Family. See Definition in Control File.' \n\n ELSE\n XMSG = 'An Instantaneous ELMO Parameter '//TRIM(INST_PARS(J))//\n & ' has been requested that does not exist.'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n END DO\n ALLOCATE( ELMO_INST( NCOLS,NROWS,NLAY_ELMO_INST,\n & N_ELMO_INST_OUT),STAT=ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating ELMO_INST' \n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n ELMO_INST = 0.0\n END IF\n \n ! Process Average Parameter User Input\n IF ( AVRG_ACTIVE ) THEN\n ALLOCATE( MAP_AVRG2USED( N_ELMO_AVRG*N_MODE ),\n & AVRG_PARS_OUT( N_ELMO_AVRG*N_MODE ) ,\n & AVRG_TYPE_OUT( N_ELMO_AVRG*N_MODE ) ,\n & AVRG_UNIT_OUT( N_ELMO_AVRG*N_MODE ) ,\n & AVRG_DESC_OUT( N_ELMO_AVRG*N_MODE ),\n & STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating MAP_AVRG2USED, etc.' \n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n\n ! Initialize number of Average output variables\n N_ELMO_AVRG_OUT = 0\n\n ! Loop over all user-requested Average parameter and link\n ! each to parameter IDs, Units, descriptions, etc.\n DO J = 1,N_ELMO_AVRG\n N = INDEX1( AVRG_PARS( J ), N_ELMO_LIST, ELMO_LIST%NAME ) \n S = INDEX1( AVRG_PARS( J ), N_CGRID_SPC, CGRID_NAME )\n F = 0\n IF ( N_Chem_Fams .GT. 0 ) \n & F = INDEX1( AVRG_PARS( J ), N_Chem_Fams, CHEMFAMILYNAME )\n\n ! Check if this parameter is duplicated on the\n ! instantaneous list. Don't need to duplicate calculation\n ! but do need to add it to the output\n M = 0\n IF ( INST_ACTIVE ) \n & M = INDEX1( AVRG_PARS( J ), N_ELMO_INST, INST_PARS ) \n\n !IF ( MYPE . EQ. 14 ) THEN\n ! print *,'J = ',J,' avrg_pars_j=',avrg_pars(j)\n ! print *,'avrg_pars = ',avrg_pars(:)\n ! print *,'N_Chem_Fams = ',N_Chem_Fams\n ! print *,'chemfamilynames = ',chemfamilyname(:)\n ! print *,N, ' ',S, ' ',F, ' ',M\n !END IF\n\n\n IF ( N .NE. 0 ) THEN\n\n ! Add Room for the Other Modes if this Parameter is\n ! Mode-Dependent\n IF ( ELMO_LIST( N )%MODE ) THEN\n DO IM = 1,N_MODE\n N_ELMO_AVRG_OUT = N_ELMO_AVRG_OUT + 1\n AVRG_PARS_OUT( N_ELMO_AVRG_OUT ) = \n & TRIM(AVRG_PARS( J )) // aeromode( IM )%suff\n AVRG_TYPE_OUT( N_ELMO_AVRG_OUT ) = ELMO_LIST( N )%VAR_TYPE \n AVRG_UNIT_OUT( N_ELMO_AVRG_OUT ) = ELMO_LIST( N )%UNIT \n AVRG_DESC_OUT( N_ELMO_AVRG_OUT ) = ELMO_LIST( N )%DESC \n IF ( M .EQ. 0 ) THEN\n N_ELMO = N_ELMO + 1\n USED_ELMO_MODE( N_ELMO ) = IM\n USED_ELMO_ID( N_ELMO ) = ELMO_LIST(N)%ID\n MAP_ID2USED( ELMO_LIST(N)%ID,IM) = N_ELMO\n MAP_AVRG2USED( N_ELMO_AVRG_OUT ) = N_ELMO\n ELSE\n P = INDEX1( AVRG_PARS_OUT( N_ELMO_AVRG_OUT ), \n & N_ELMO_INST_OUT, INST_PARS_OUT ) \n MAP_AVRG2USED( N_ELMO_AVRG_OUT ) = MAP_INST2USED( P )\n END IF\n END DO\n ELSE\n ! Add Entry for this Parameter\n N_ELMO_AVRG_OUT = N_ELMO_AVRG_OUT + 1\n\n AVRG_PARS_OUT( N_ELMO_AVRG_OUT ) = AVRG_PARS( J )\n AVRG_TYPE_OUT( N_ELMO_AVRG_OUT ) = ELMO_LIST( N )%VAR_TYPE \n AVRG_UNIT_OUT( N_ELMO_AVRG_OUT ) = ELMO_LIST( N )%UNIT \n AVRG_DESC_OUT( N_ELMO_AVRG_OUT ) = ELMO_LIST( N )%DESC \n IF ( M .EQ. 0 ) THEN\n N_ELMO = N_ELMO + 1\n USED_ELMO_ID( N_ELMO ) = ELMO_LIST(N)%ID\n USED_ELMO_MODE( N_ELMO ) = 1\n MAP_ID2USED( ELMO_LIST(N)%ID,1 ) = N_ELMO\n MAP_AVRG2USED( N_ELMO_AVRG_OUT ) = N_ELMO\n ELSE\n P = INDEX1( AVRG_PARS_OUT( N_ELMO_AVRG_OUT ), \n & N_ELMO_INST_OUT, INST_PARS_OUT ) \n MAP_AVRG2USED( N_ELMO_AVRG_OUT ) = MAP_INST2USED( P )\n END IF \n END IF \n ELSEIF ( S .GT. 0 ) THEN\n ! Add Entry for CMAQ Model Species\n N_ELMO_AVRG_OUT = N_ELMO_AVRG_OUT + 1\n AVRG_PARS_OUT( N_ELMO_AVRG_OUT ) = AVRG_PARS( J )\n AVRG_TYPE_OUT( N_ELMO_AVRG_OUT ) = M3REAL \n AVRG_UNIT_OUT( N_ELMO_AVRG_OUT ) = CGRID_CONC_UNIT(S)\n AVRG_DESC_OUT( N_ELMO_AVRG_OUT ) = \n & 'Average ' // CGRID_CONC_DESC(S)\n \n IF ( M .EQ. 0 ) THEN\n N_ELMO = N_ELMO + 1\n NTOT_ELMO_IDS = NTOT_ELMO_IDS + 1\n USED_ELMO_ID( N_ELMO ) = NTOT_ELMO_IDS\n USED_CGRID_ID( N_ELMO ) = S\n USED_ELMO_MODE( N_ELMO ) = 1\n MAP_ID2USED( NTOT_ELMO_IDS,1 ) = N_ELMO\n MAP_AVRG2USED( N_ELMO_AVRG_OUT ) = N_ELMO\n ELSE\n P = INDEX1( AVRG_PARS_OUT( N_ELMO_AVRG_OUT ), \n & N_ELMO_INST_OUT, INST_PARS_OUT ) \n MAP_AVRG2USED( N_ELMO_AVRG_OUT ) = MAP_INST2USED( P )\n END IF \n ELSEIF ( F .GT. 0 ) THEN\n ! Add Entry for Chemical Family\n N_ELMO_AVRG_OUT = N_ELMO_AVRG_OUT + 1\n AVRG_PARS_OUT( N_ELMO_AVRG_OUT ) = AVRG_PARS( J )\n AVRG_TYPE_OUT( N_ELMO_AVRG_OUT ) = M3REAL \n AVRG_UNIT_OUT( N_ELMO_AVRG_OUT ) = 'ppmV for Gas. ug m-3 for PM' \n AVRG_DESC_OUT( N_ELMO_AVRG_OUT ) = 'Chemical Family. See Definition in Control File.' \n \n IF ( M .EQ. 0 ) THEN\n N_ELMO = N_ELMO + 1\n NTOT_ELMO_IDS = NTOT_ELMO_IDS + 1\n USED_ELMO_ID( N_ELMO ) = NTOT_ELMO_IDS\n USED_FAM_ID( N_ELMO ) = F\n USED_ELMO_MODE( N_ELMO ) = 1\n MAP_ID2USED( NTOT_ELMO_IDS,1 ) = N_ELMO\n MAP_AVRG2USED( N_ELMO_AVRG_OUT ) = N_ELMO\n ELSE\n P = INDEX1( AVRG_PARS_OUT( N_ELMO_AVRG_OUT ), \n & N_ELMO_INST_OUT, INST_PARS_OUT ) \n MAP_AVRG2USED( N_ELMO_AVRG_OUT ) = MAP_INST2USED( P )\n END IF \n ELSE\n XMSG = 'An Average ELMO Parameter '//TRIM(AVRG_PARS(J))//\n & ' has been requested that does not exist.'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n END DO\n ALLOCATE( ELMO_AVRG( NCOLS,NROWS,NLAY_ELMO_AVRG,\n & N_ELMO_AVRG_OUT ), STAT=IOS )\n CALL CHECKMEM( IOS, 'ELMO_AVRG',PNAME )\n ELMO_AVRG = 0.0\n END IF\n \n ! Allocate Local ELMO Array\n ALLOCATE( ELMO_LOCAL( N_ELMO ), STAT=IOS )\n CALL CHECKMEM( IOS, 'ELMO_LOCAL',PNAME )\n \n ALLOCATE( L_CALC( N_ELMO ), STAT=IOS )\n CALL CHECKMEM( IOS, 'L_CALC',PNAME )\n\n ! Allocate local image of CGRID so it can be used each time step\n ALLOCATE( CONC_VEC( N_CGRID_SPC ), STAT=IOS )\n CALL CHECKMEM( IOS, 'CONC_VEC',PNAME )\n\n ! Map Diagnostic Variables to Model Species and Coefficients\n CALL MAP_ELMO_COEFFS\n\n\n END SUBROUTINE MAP_ELMO\n\n!-------------------------------------------------------------------------\n SUBROUTINE MAP_ELMO_COEFFS\n! This subroutine maps the PM diagnostic variables that the user has\n! requested to the entries in the ELMO_DATA table.\n!-------------------------------------------------------------------------\n USE CGRID_SPCS, ONLY : CGRID_NAME\n USE UTIL_FAMILY_MODULE, ONLY : CHEMFAMILYNUM, CHEMFAMILYMEMBERS\n USE AERO_DATA, ONLY : ascat_na_fac, asoil_na_fac, acors_na_fac,\n & ascat_mg_fac, asoil_mg_fac, acors_mg_fac,\n & ascat_k_fac, asoil_k_fac, acors_k_fac,\n & ascat_ca_fac, asoil_ca_fac, acors_ca_fac,\n & asoil_fe_fac, acors_fe_fac,\n & asoil_mn_fac, acors_mn_fac\n\n IMPLICIT NONE\n\n INTEGER IDG, N_VARS, IELMO, S, F, IV\n\n ALLOCATE( ELMO_COEFFS( NTOT_ELMO_IDS ) )\n ELMO_COEFFS( : )%L_MAPPED = .FALSE.\n \n ! Save the number of ELMO parameters that should be output. In the\n ! course of mapping various parameters, it may be necessary to add\n ! some used parameters to N_ELMO that are intermediates to the desired\n ! parameters. For example, PMF_MASS must be calculated in order to\n ! then calculate AUNSP1_IMPVIJ\n N_ELMO_OUT = N_ELMO\n \n ! Loop through all available ELMO_LIST Parameters\n IELMO = 0\n DO WHILE ( IELMO .LE. N_ELMO_OUT )\n IELMO = IELMO + 1\n IDG = USED_ELMO_ID( IELMO )\n \n SELECT CASE ( IDG )\n \n !!!! Coarse-Mode Parameters !!!! \n\n ! Map PMC_SO4 - Coarse-Mode Sulfate\n CASE ( ID_PMC_SO4 ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'COARSE' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'ASO4', 1.0 )\n \n ! Map PMC_NO3 - Coarse-Mode Nitrate\n CASE ( ID_PMC_NO3 ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'COARSE' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'ANO3', 1.0 )\n \n ! Map PMC_NH4 - Coarse-Mode Ammonium\n CASE ( ID_PMC_NH4 ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'COARSE' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'ANH4', 1.0 )\n \n ! Map PMC_CL - Coarse-Mode Chlorine\n CASE ( ID_PMC_CL ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'COARSE' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'ACL', 1.0 )\n \n ! Map PMC_NA - Coarse-Mode Sodium\n CASE ( ID_PMC_NA ) \n N_VARS = 3\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'COARSE' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'ASEACAT', real(ascat_na_fac) )\n CALL SET_ELMO_COEFF_MAP( IDG, 2, 'AERO', 'ASOIL', real(asoil_na_fac) )\n CALL SET_ELMO_COEFF_MAP( IDG, 3, 'AERO', 'ACORS', real(acors_na_fac) )\n \n ! Map PMC_MG - Coarse-Mode Magnesium\n CASE ( ID_PMC_MG ) \n N_VARS = 3\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'COARSE' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'ASEACAT', real(ascat_mg_fac) )\n CALL SET_ELMO_COEFF_MAP( IDG, 2, 'AERO', 'ASOIL', real(asoil_mg_fac) )\n CALL SET_ELMO_COEFF_MAP( IDG, 3, 'AERO', 'ACORS', real(acors_mg_fac) )\n \n ! Map PMC_K - Coarse-Mode Potassium\n CASE ( ID_PMC_K ) \n N_VARS = 3\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'COARSE' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'ASEACAT', real(ascat_k_fac) )\n CALL SET_ELMO_COEFF_MAP( IDG, 2, 'AERO', 'ASOIL', real(asoil_k_fac) )\n CALL SET_ELMO_COEFF_MAP( IDG, 3, 'AERO', 'ACORS', real(acors_k_fac) )\n\n ! Map PMC_CA - Coarse-Mode Calcium\n CASE ( ID_PMC_CA ) \n N_VARS = 3\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'COARSE' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'ASEACAT', real(ascat_ca_fac) )\n CALL SET_ELMO_COEFF_MAP( IDG, 2, 'AERO', 'ASOIL', real(asoil_ca_fac) )\n CALL SET_ELMO_COEFF_MAP( IDG, 3, 'AERO', 'ACORS', real(acors_ca_fac) )\n\n \n !!!! Fine-Mode Parameters !!!! \n\n ! Map PMF_SO4 - Fine-Mode Sulfate\n CASE ( ID_PMF_SO4 ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'FINE' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'ASO4', 1.0 )\n \n ! Map PMF_NO3 - Fine-Mode Nitrate\n CASE ( ID_PMF_NO3 ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'FINE' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'ANO3', 1.0 )\n \n ! Map PMF_NH4 - Fine-Mode Ammonium\n CASE ( ID_PMF_NH4 ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS , 'FINE')\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'ANH4', 1.0 )\n \n ! Map PMF_CL - Fine-Mode Chloride\n CASE ( ID_PMF_CL ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'FINE' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'ACL', 1.0 )\n \n ! Map PMF_NA - Fine-Mode Sodium\n CASE ( ID_PMF_NA ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'FINE' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'ANA', 1.0 )\n \n ! Map PMF_EC - Fine-Mode Elemental Carbon \n CASE ( ID_PMF_EC ) \n N_VARS = 1 \n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'FINE' ) \n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'AEC', 1.0 ) \n \n ! Map PMF_FE - Fine-Mode Iron\n CASE ( ID_PMF_FE ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'FINE' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'AFE', 1.0 )\n \n ! Map PMF_AL - Fine-Mode Aluminum\n CASE ( ID_PMF_AL ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'FINE' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'AAL', 1.0 )\n \n ! Map PMF_SI - Fine-Mode Silicon\n CASE ( ID_PMF_SI ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'FINE' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'ASI', 1.0 )\n \n ! Map PMF_TI - Fine-Mode Titanium\n CASE ( ID_PMF_TI ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'FINE' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'ATI', 1.0 )\n \n ! Map PMF_CA - Fine-Mode Calcium\n CASE ( ID_PMF_CA ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'FINE' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'ACA', 1.0 )\n \n ! Map PMF_MG - Fine-Mode Magnesium\n CASE ( ID_PMF_MG ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'FINE' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'AMG', 1.0 )\n \n ! Map PMF_K - Fine-Mode Potassium\n CASE ( ID_PMF_K ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'FINE' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'AK', 1.0 )\n \n ! Map PMF_MN - Fine-Mode Manganese\n CASE ( ID_PMF_MN ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'FINE' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'AMN', 1.0 )\n \n ! Map PMF_H2O - Fine-Mode Particle Water \n CASE ( ID_PMF_H2O ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'FINE' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'AH2O', 1.0/19.0 )\n \n ! Map SOIL_IMPV - IMPROVE reconstruction of Soil PM\n CASE ( ID_SOIL_IMPV )\n N_VARS = 5\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'ACCUMULATION' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'AAL', 2.20 )\n CALL SET_ELMO_COEFF_MAP( IDG, 2, 'AERO', 'ASI', 2.49 )\n CALL SET_ELMO_COEFF_MAP( IDG, 3, 'AERO', 'ACA', 1.63 )\n CALL SET_ELMO_COEFF_MAP( IDG, 4, 'AERO', 'AFE', 2.42 )\n CALL SET_ELMO_COEFF_MAP( IDG, 5, 'AERO', 'ATI', 1.94 )\n \n ! Map PMF_UNSP1 - Retrieve Fine-Mode Unspeciated PM based \n ! on reconstructed SOIL PM from IMPROVE method and including \n ! NCOM in the unspeciated portion\n CASE ( ID_PMF_UNSP1 )\n N_VARS = 9\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'FINE' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AGG', 'PMF_MASS', 1.0 )\n CALL SET_ELMO_COEFF_MAP( IDG, 2, 'AERO', 'ASO4', -1.0 )\n CALL SET_ELMO_COEFF_MAP( IDG, 3, 'AERO', 'ANO3', -1.0 )\n CALL SET_ELMO_COEFF_MAP( IDG, 4, 'AERO', 'ANH4', -1.0 )\n CALL SET_ELMO_COEFF_MAP( IDG, 5, 'AERO', 'ACL', -1.0 ) \n CALL SET_ELMO_COEFF_MAP( IDG, 6, 'AERO', 'ANA', -1.0 ) \n CALL SET_ELMO_COEFF_MAP( IDG, 7, 'AERO', 'AEC', -1.0 ) \n CALL SET_ELMO_COEFF_MAP( IDG, 8, 'AGG', 'PMF_OC', -1.0 ) \n CALL SET_ELMO_COEFF_MAP( IDG, 9, 'AGG', 'PMF_SOILIMPV', -1.0 ) \n \n ! Map PMF_UNSP2 - Retrieve Fine-Mode Unspeciated PM based \n ! on reconstructed SOIL PM from IMPROVE method and EXCLUDING \n ! NCOM in the unspeciated portion\n CASE ( ID_PMF_UNSP2 )\n N_VARS = 9\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'FINE' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AGG', 'PMF_MASS', 1.0 )\n CALL SET_ELMO_COEFF_MAP( IDG, 2, 'AERO', 'ASO4', -1.0 )\n CALL SET_ELMO_COEFF_MAP( IDG, 3, 'AERO', 'ANO3', -1.0 )\n CALL SET_ELMO_COEFF_MAP( IDG, 4, 'AERO', 'ANH4', -1.0 )\n CALL SET_ELMO_COEFF_MAP( IDG, 5, 'AERO', 'ACL', -1.0 ) \n CALL SET_ELMO_COEFF_MAP( IDG, 6, 'AERO', 'ANA', -1.0 ) \n CALL SET_ELMO_COEFF_MAP( IDG, 7, 'AERO', 'AEC', -1.0 ) \n CALL SET_ELMO_COEFF_MAP( IDG, 8, 'AGG', 'PMF_OA', -1.0 ) \n CALL SET_ELMO_COEFF_MAP( IDG, 9, 'AGG', 'PMF_SOILIMPV', -1.0 ) \n\n ! Map PMF_HP - Fine-Mode Hydronium Ion\n CASE ( ID_PMF_HP ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'FINE' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'AH3OP', 1.0/19.0 )\n \n ! Map PMF_NCOM - Fine-Mode Non-Carbon Organic Mass in POA\n CASE ( ID_PMF_NCOM ) \n N_VARS = 2\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'FINE' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AGG', 'PMF_OA', 1.0 )\n CALL SET_ELMO_COEFF_MAP( IDG, 2, 'AGG', 'PMF_OC',-1.0 )\n \n ! Map PMF_CLDGLY - Fine-Mode SOA from glyoxal and methylglyoxal\n CASE ( ID_PMF_CLDGLY ) \n N_VARS = 2\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'FINE' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'AORGC', 1.0 )\n CALL SET_ELMO_COEFF_MAP( IDG, 2, 'AERO', 'AGLY', 1.0 )\n \n ! Map PMF_ISOP - Fine-Mode Isoprene SOA excluding IEPOX SOA\n CASE ( ID_PMF_ISOP ) \n N_VARS = 2\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'FINE' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'AISO1', 1.0 )\n CALL SET_ELMO_COEFF_MAP( IDG, 2, 'AERO', 'AISO2', 1.0 )\n \n ! Map PMF_IEPOX - Fine-Mode IEPOX SOA\n CASE ( ID_PMF_IEPOX ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'FINE' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'AISO3', 1.0 )\n \n ! Map PMF_MTNSOA - Fine-Mode Monoterpene Nitrate SOA\n CASE ( ID_PMF_MTNSOA ) \n N_VARS = 2\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'FINE' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'AMTNO3', 1.0 )\n CALL SET_ELMO_COEFF_MAP( IDG, 2, 'AERO', 'AMTHYD', 1.0 )\n \n ! Map PMF_MTSOA - Fine-Mode Monoterpene SOA excluding\n ! Nitrates\n CASE ( ID_PMF_MTSOA ) \n N_VARS = 6\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'FINE' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'AMT1', 1.0 )\n CALL SET_ELMO_COEFF_MAP( IDG, 2, 'AERO', 'AMT2', 1.0 )\n CALL SET_ELMO_COEFF_MAP( IDG, 3, 'AERO', 'AMT3', 1.0 )\n CALL SET_ELMO_COEFF_MAP( IDG, 4, 'AERO', 'AMT4', 1.0 )\n CALL SET_ELMO_COEFF_MAP( IDG, 5, 'AERO', 'AMT5', 1.0 )\n CALL SET_ELMO_COEFF_MAP( IDG, 6, 'AERO', 'AMT6', 1.0 )\n \n ! Map PMF_BENAPY - Fine-Mode Benzo-a-Pyrene\n CASE ( ID_PMF_BENAPY ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'FINE' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'ABENAPY', 1.0 )\n \n ! Map GAS_BENAPY - Gas-Phase Benzo-a-Pyrene\n CASE ( ID_GAS_BENAPY ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'ALL' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'GAS', 'BENAPY',8701.7 ) ! Scale by 1000*MW_BENAPY/MW_Air\n \n ! Map GAS_NH3 - Gas-Phase Benzo-a-Pyrene\n CASE ( ID_GAS_NH3 ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'ALL' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'GAS', 'NH3',587.0 ) ! Scale by 1000*MW_BENAPY/MW_Air\n \n ! Map GAS_HNO3 - Gas-Phase Benzo-a-Pyrene\n CASE ( ID_GAS_HNO3 ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'ALL' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'GAS', 'HNO3',2175.6 ) ! Scale by 1000*MW_BENAPY/MW_Air\n \n \n !!!! AMS Parameters !!!! \n\n ! Map AMS_SO4 - AMS-Measure Sulfate\n CASE ( ID_AMS_SO4 ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PMAMS' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'ASO4', 1.0 )\n \n ! Map AMS_NO3 - AMS-Measured Nitrate\n CASE ( ID_AMS_NO3 ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PMAMS' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'ANO3', 1.0 )\n \n ! Map AMS_NH4 - AMS-Measured Ammonium\n CASE ( ID_AMS_NH4 ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PMAMS' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'ANH4', 1.0 )\n \n ! Map AMS_CL - AMS-Measured Chloride\n CASE ( ID_AMS_CL ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PMAMS' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'ACL', 1.0 )\n \n \n !!!! PM1.0 Parameters !!!! \n\n ! Map PM1_SO4 - PM1 Sulfate\n CASE ( ID_PM1_SO4 ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM1' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'ASO4', 1.0 )\n \n ! Map PM1_NO3 - PM1 Nitrate\n CASE ( ID_PM1_NO3 ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM1' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'ANO3', 1.0 )\n \n ! Map PM1_NH4 - PM1 Ammonium\n CASE ( ID_PM1_NH4 ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM1' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'ANH4', 1.0 )\n \n ! Map PM1_CL - PM1 Chloride\n CASE ( ID_PM1_CL ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM1' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'ACL', 1.0 )\n \n ! Map PM1_NA - PM1 Sodium\n CASE ( ID_PM1_NA ) \n N_VARS = 4\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM1' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'ANA', 1.0 )\n CALL SET_ELMO_COEFF_MAP( IDG, 2, 'AERO', 'ASEACAT', real(ascat_na_fac) )\n CALL SET_ELMO_COEFF_MAP( IDG, 3, 'AERO', 'ASOIL', real(asoil_na_fac) )\n CALL SET_ELMO_COEFF_MAP( IDG, 4, 'AERO', 'ACORS', real(acors_na_fac) )\n \n ! Map PM1_EC - PM1 Elemental Carbon\n CASE ( ID_PM1_EC ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM1' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'AEC', 1.0 )\n \n ! Map PM1_MG - PM1 Magnesium\n CASE ( ID_PM1_MG ) \n N_VARS = 4\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM1' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'AMG', 1.0 )\n CALL SET_ELMO_COEFF_MAP( IDG, 2, 'AERO', 'ASEACAT', real(ascat_mg_fac) )\n CALL SET_ELMO_COEFF_MAP( IDG, 3, 'AERO', 'ASOIL', real(asoil_mg_fac) )\n CALL SET_ELMO_COEFF_MAP( IDG, 4, 'AERO', 'ACORS', real(acors_mg_fac) )\n \n ! Map PM1_K - PM1 Potassium\n CASE ( ID_PM1_K ) \n N_VARS = 4\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM1' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'AK', 1.0 )\n CALL SET_ELMO_COEFF_MAP( IDG, 2, 'AERO', 'ASEACAT', real(ascat_k_fac) )\n CALL SET_ELMO_COEFF_MAP( IDG, 3, 'AERO', 'ASOIL', real(asoil_k_fac) )\n CALL SET_ELMO_COEFF_MAP( IDG, 4, 'AERO', 'ACORS', real(acors_k_fac) )\n \n ! Map PM1_CA - PM1 Calcium\n CASE ( ID_PM1_CA ) \n N_VARS = 4\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM1' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'ACA', 1.0 )\n CALL SET_ELMO_COEFF_MAP( IDG, 2, 'AERO', 'ASEACAT', real(ascat_ca_fac ))\n CALL SET_ELMO_COEFF_MAP( IDG, 3, 'AERO', 'ASOIL', real(asoil_ca_fac ))\n CALL SET_ELMO_COEFF_MAP( IDG, 4, 'AERO', 'ACORS', real(acors_ca_fac ))\n \n ! Map PM1_Other - PM1 Other \n CASE ( ID_PM1_OT ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM1' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'AOTHR', 1.0 )\n \n ! Map PM1_FE - PM1 Iron\n CASE ( ID_PM1_FE ) \n N_VARS = 3\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM1' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'AFE', 1.0 )\n CALL SET_ELMO_COEFF_MAP( IDG, 2, 'AERO', 'ASOIL', real(asoil_fe_fac ))\n CALL SET_ELMO_COEFF_MAP( IDG, 3, 'AERO', 'ACORS', real(acors_fe_fac ))\n \n ! Map PM1_SI - PM1 Silicon\n CASE ( ID_PM1_SI ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM1' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'ASI', 1.0 )\n \n ! Map PM1_TI - PM1 Titanium\n CASE ( ID_PM1_TI ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM1' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'ATI', 1.0 )\n \n ! Map PM1_MN - PM1 Manganese\n CASE ( ID_PM1_MN ) \n N_VARS = 3\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM1' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'AMN', 1.0 )\n CALL SET_ELMO_COEFF_MAP( IDG, 2, 'AERO', 'ASOIL', real(asoil_mn_fac ))\n CALL SET_ELMO_COEFF_MAP( IDG, 3, 'AERO', 'ACORS', real(acors_mn_fac ))\n \n ! Map PM1_AL - PM1 Aluminum\n CASE ( ID_PM1_AL ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM1' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'AAL', 1.0 )\n \n ! Map PM1_Soil - PM1.0 Reconstructed Soil for the fine\n ! mode + explicit soil for the coarse mode\n CASE ( ID_PM1_SOIL ) \n N_VARS = 6\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM1' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'ASOIL', 1.0 )\n CALL SET_ELMO_COEFF_MAP( IDG, 2, 'AERO', 'AAL', 2.20 )\n CALL SET_ELMO_COEFF_MAP( IDG, 3, 'AERO', 'ASI', 2.49 )\n CALL SET_ELMO_COEFF_MAP( IDG, 4, 'AERO', 'ACA', 1.63 )\n CALL SET_ELMO_COEFF_MAP( IDG, 5, 'AERO', 'AFE', 2.42 )\n CALL SET_ELMO_COEFF_MAP( IDG, 6, 'AERO', 'ATI', 1.94 )\n \n ! Map PM1.0 Unspeciated PM based on reconstructed\n ! SOIL PM from IMPROVE method and including NCOM in the\n ! unspeciated portion\n CASE ( ID_PM1_UNSP1 )\n N_VARS = 9\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM1' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AGG', 'PM1', 1.0 )\n CALL SET_ELMO_COEFF_MAP( IDG, 2, 'AERO', 'ASO4', -1.0 )\n CALL SET_ELMO_COEFF_MAP( IDG, 3, 'AERO', 'ANO3', -1.0 )\n CALL SET_ELMO_COEFF_MAP( IDG, 4, 'AERO', 'ANH4', -1.0 )\n CALL SET_ELMO_COEFF_MAP( IDG, 5, 'AERO', 'ACL', -1.0 ) \n CALL SET_ELMO_COEFF_MAP( IDG, 6, 'AERO', 'ANA', -1.0 ) \n CALL SET_ELMO_COEFF_MAP( IDG, 7, 'AERO', 'AEC', -1.0 ) \n CALL SET_ELMO_COEFF_MAP( IDG, 8, 'AGG', 'PM1_OC', -1.0 ) \n CALL SET_ELMO_COEFF_MAP( IDG, 9, 'AGG', 'PM1_SOIL', -1.0 ) \n \n ! Map PM1_UN - PM1.0 Unspeciated Coarse Mass\n CASE ( ID_PM1_UN ) \n N_VARS = 3\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM1' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'ASEACAT', 1.0 - real( ascat_na_fac + ascat_mg_fac + \n & ascat_k_fac + ascat_ca_fac )) \n CALL SET_ELMO_COEFF_MAP( IDG, 2, 'AERO', 'ASOIL', 1.0 - real( asoil_na_fac + asoil_mg_fac +\n & asoil_k_fac + asoil_ca_fac +\n & asoil_mn_fac + asoil_fe_fac ))\n CALL SET_ELMO_COEFF_MAP( IDG, 3, 'AERO', 'ACORS', 1.0 - real( acors_na_fac + acors_mg_fac +\n & acors_k_fac + acors_ca_fac +\n & acors_mn_fac + acors_fe_fac ))\n \n ! Map PM1_HP - PM1.0 Hydronium Ion\n CASE ( ID_PM1_HP ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM1' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'AH3OP', 1.0/19.0 ) \n \n !!!! PM2.5 Parameters !!!! \n\n ! Map PM25_SO4 - PM2.5 Sulfate\n CASE ( ID_PM25_SO4 ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM25' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'ASO4', 1.0 )\n \n ! Map PM25_NO3 - PM2.5 Nitrate\n CASE ( ID_PM25_NO3 ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM25' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'ANO3', 1.0 )\n \n ! Map PM25_NH4 - PM2.5 Ammonium\n CASE ( ID_PM25_NH4 ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM25' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'ANH4', 1.0 )\n \n ! Map PM25_CL - PM2.5 Chloride\n CASE ( ID_PM25_CL ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM25' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'ACL', 1.0 )\n \n ! Map PM25_NA - PM2.5 Sodium\n CASE ( ID_PM25_NA ) \n N_VARS = 4\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM25' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'ANA', 1.0 )\n CALL SET_ELMO_COEFF_MAP( IDG, 2, 'AERO', 'ASEACAT', real(ascat_na_fac ))\n CALL SET_ELMO_COEFF_MAP( IDG, 3, 'AERO', 'ASOIL', real(asoil_na_fac ))\n CALL SET_ELMO_COEFF_MAP( IDG, 4, 'AERO', 'ACORS', real(acors_na_fac ))\n \n ! Map PM25_EC - PM2.5 Elemental Carbon\n CASE ( ID_PM25_EC ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM25' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'AEC', 1.0 )\n \n ! Map PM25_MG - PM2.5 Magnesium\n CASE ( ID_PM25_MG ) \n N_VARS = 4\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM25' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'AMG', 1.0 )\n CALL SET_ELMO_COEFF_MAP( IDG, 2, 'AERO', 'ASEACAT', real(ascat_mg_fac ))\n CALL SET_ELMO_COEFF_MAP( IDG, 3, 'AERO', 'ASOIL', real(asoil_mg_fac ))\n CALL SET_ELMO_COEFF_MAP( IDG, 4, 'AERO', 'ACORS', real(acors_mg_fac ))\n \n ! Map PM25_K - PM2.5 Potassium\n CASE ( ID_PM25_K ) \n N_VARS = 4\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM25' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'AK', 1.0 )\n CALL SET_ELMO_COEFF_MAP( IDG, 2, 'AERO', 'ASEACAT', real(ascat_k_fac ))\n CALL SET_ELMO_COEFF_MAP( IDG, 3, 'AERO', 'ASOIL', real(asoil_k_fac ))\n CALL SET_ELMO_COEFF_MAP( IDG, 4, 'AERO', 'ACORS', real(acors_k_fac ))\n \n ! Map PM25_CA - PM2.5 Calcium\n CASE ( ID_PM25_CA ) \n N_VARS = 4\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM25' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'ACA', 1.0 )\n CALL SET_ELMO_COEFF_MAP( IDG, 2, 'AERO', 'ASEACAT', real(ascat_ca_fac ))\n CALL SET_ELMO_COEFF_MAP( IDG, 3, 'AERO', 'ASOIL', real(asoil_ca_fac ))\n CALL SET_ELMO_COEFF_MAP( IDG, 4, 'AERO', 'ACORS', real(acors_ca_fac ))\n \n ! Map PM25_Other - PM25 Other \n CASE ( ID_PM25_OT ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM25' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'AOTHR', 1.0 )\n \n ! Map PM25_FE - PM2.5 Iron\n CASE ( ID_PM25_FE ) \n N_VARS = 3\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM25' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'AFE', 1.0 )\n CALL SET_ELMO_COEFF_MAP( IDG, 2, 'AERO', 'ASOIL', real(asoil_fe_fac ))\n CALL SET_ELMO_COEFF_MAP( IDG, 3, 'AERO', 'ACORS', real(acors_fe_fac ))\n \n ! Map PM25_SI - PM2.5 Silicon\n CASE ( ID_PM25_SI ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM25' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'ASI', 1.0 )\n \n ! Map PM25_TI - PM2.5 Titanium\n CASE ( ID_PM25_TI ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM25' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'ATI', 1.0 )\n \n ! Map PM25_MN - PM2.5 Manganese\n CASE ( ID_PM25_MN ) \n N_VARS = 3\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM25' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'AMN', 1.0 )\n CALL SET_ELMO_COEFF_MAP( IDG, 2, 'AERO', 'ASOIL', real(asoil_mn_fac ))\n CALL SET_ELMO_COEFF_MAP( IDG, 3, 'AERO', 'ACORS', real(acors_mn_fac ))\n \n ! Map PM25_AL - PM2.5 Aluminum\n CASE ( ID_PM25_AL ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM25' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'AAL', 1.0 )\n \n ! Map PM25_Soil - PM2.5 Reconstructed Soil for the fine\n ! mode + explicit soil for the coarse mode\n CASE ( ID_PM25_SOIL ) \n N_VARS = 6\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM25' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'ASOIL', 1.0 )\n CALL SET_ELMO_COEFF_MAP( IDG, 2, 'AERO', 'AAL', 2.20 )\n CALL SET_ELMO_COEFF_MAP( IDG, 3, 'AERO', 'ASI', 2.49 )\n CALL SET_ELMO_COEFF_MAP( IDG, 4, 'AERO', 'ACA', 1.63 )\n CALL SET_ELMO_COEFF_MAP( IDG, 5, 'AERO', 'AFE', 2.42 )\n CALL SET_ELMO_COEFF_MAP( IDG, 6, 'AERO', 'ATI', 1.94 )\n \n ! Map PM2.5 Unspeciated PM based on reconstructed\n ! SOIL PM from IMPROVE method and including NCOM in the\n ! unspeciated portion\n CASE ( ID_PM25_UNSP1 )\n N_VARS = 9\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM25' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AGG', 'PM25', 1.0 )\n CALL SET_ELMO_COEFF_MAP( IDG, 2, 'AERO', 'ASO4', -1.0 )\n CALL SET_ELMO_COEFF_MAP( IDG, 3, 'AERO', 'ANO3', -1.0 )\n CALL SET_ELMO_COEFF_MAP( IDG, 4, 'AERO', 'ANH4', -1.0 )\n CALL SET_ELMO_COEFF_MAP( IDG, 5, 'AERO', 'ACL', -1.0 ) \n CALL SET_ELMO_COEFF_MAP( IDG, 6, 'AERO', 'ANA', -1.0 ) \n CALL SET_ELMO_COEFF_MAP( IDG, 7, 'AERO', 'AEC', -1.0 ) \n CALL SET_ELMO_COEFF_MAP( IDG, 8, 'AGG', 'PM25_OC', -1.0 ) \n CALL SET_ELMO_COEFF_MAP( IDG, 9, 'AGG', 'PM25_SOIL', -1.0 ) \n \n ! Map PM25_UN - PM2.5 Unspeciated Coarse Mass\n CASE ( ID_PM25_UN ) \n N_VARS = 3\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM25' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'ASEACAT', 1.0 - real( ascat_na_fac + ascat_mg_fac + \n & ascat_k_fac + ascat_ca_fac )) \n CALL SET_ELMO_COEFF_MAP( IDG, 2, 'AERO', 'ASOIL', 1.0 - real( asoil_na_fac + asoil_mg_fac +\n & asoil_k_fac + asoil_ca_fac +\n & asoil_mn_fac + asoil_fe_fac ))\n CALL SET_ELMO_COEFF_MAP( IDG, 3, 'AERO', 'ACORS', 1.0 - real( acors_na_fac + acors_mg_fac +\n & acors_k_fac + acors_ca_fac +\n & acors_mn_fac + acors_fe_fac ))\n \n ! Map PM25_HP - PM2.5 Hydronium Ion\n CASE ( ID_PM25_HP ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM25' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'AH3OP', 1.0/19.0 )\n \n \n !!!! PM2.5 - 10.0 Parameters !!!! \n\n ! Map PM25to10_SO4 - PM2.5-10.0 Sulfate\n CASE ( ID_PM25to10_SO4 ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM25TO10' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'ASO4', 1.0 )\n \n ! Map PM25to10_NO3 - PM2.5-10.0 Nitrate\n CASE ( ID_PM25to10_NO3 ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM25TO10' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'ANO3', 1.0 )\n \n ! Map PM25to10_NH4 - PM2.5-10.0 Ammonium\n CASE ( ID_PM25to10_NH4 ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM25TO10' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'ANH4', 1.0 )\n \n ! Map PM25to10_CL - PM2.5-10.0 Chloride\n CASE ( ID_PM25to10_CL ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM25TO10' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'ACL', 1.0 )\n \n ! Map PM25to10_NA - PM2.5-10.0 Sodium\n CASE ( ID_PM25to10_NA ) \n N_VARS = 4\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM25TO10' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'ANA', 1.0 )\n CALL SET_ELMO_COEFF_MAP( IDG, 2, 'AERO', 'ASEACAT', real(ascat_na_fac ))\n CALL SET_ELMO_COEFF_MAP( IDG, 3, 'AERO', 'ASOIL', real(asoil_na_fac ))\n CALL SET_ELMO_COEFF_MAP( IDG, 4, 'AERO', 'ACORS', real(acors_na_fac ))\n \n !!!! Toxics !!!! \n \n ! Map PM25_HDSL - HAP inventory PM2.5 diesel mass\n CASE ( ID_PM25_HDSL ) \n N_VARS = 6\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM25' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'ADE_OTHR', 1.0 )\n CALL SET_ELMO_COEFF_MAP( IDG, 2, 'AERO', 'ADE_EC', 1.0 )\n CALL SET_ELMO_COEFF_MAP( IDG, 3, 'AERO', 'ADE_OC', 1.0 )\n CALL SET_ELMO_COEFF_MAP( IDG, 4, 'AERO', 'ADE_SO4', 1.0 )\n CALL SET_ELMO_COEFF_MAP( IDG, 5, 'AERO', 'ADE_NO3', 1.0 )\n CALL SET_ELMO_COEFF_MAP( IDG, 6, 'AERO', 'ADE_CORS', 1.0 )\n \n ! Map PM25_HBE - HAP inventory Beryllium\n CASE ( ID_PM25_HBE ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM25' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'ABE', 1.0 )\n \n ! Map PM25_HCD - HAP inventory Cadmium\n CASE ( ID_PM25_HCD ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM25' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'ACD', 1.0 )\n \n ! Map PM25_HCR3 - HAP inventory Chromium III\n CASE ( ID_PM25_HCR3 ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM25' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'ACR_III', 1.0 )\n \n ! Map PM25_HCR6 - HAP inventory Chromium VI\n CASE ( ID_PM25_HCR6 ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM25' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'ACR_VI', 1.0 )\n \n ! Map PM25_HCR - HAP inventory Total Chromium\n CASE ( ID_PM25_HCR ) \n N_VARS = 2\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM25' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AGG', 'PM25_HCR3', 1.0 )\n CALL SET_ELMO_COEFF_MAP( IDG, 2, 'AGG', 'PM25_HCR6', 1.0 )\n \n ! Map PM25_HPB - HAP inventory Lead\n CASE ( ID_PM25_HPB ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM25' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'APB', 1.0 )\n \n ! Map PM25_HMN - HAP inventory Manganese\n CASE ( ID_PM25_HMN ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM25' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'AMN_HAPS', 1.0 )\n \n ! Map PM25_HNI - HAP inventory Nickel\n CASE ( ID_PM25_HNI ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM25' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'ANI', 1.0 )\n \n ! Map PM25_HAS - HAP inventory Arsenic\n CASE ( ID_PM25_HAS ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM25' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'AAS', 1.0 )\n \n ! Map PM25_HG - Mercury\n CASE ( ID_PM25_HG ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM25' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'APHG', 1.0 )\n \n ! Map PM25_BENAPY - Benzo-a-Pyrene\n CASE ( ID_PM25_BENAPY ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM25' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'ABENAPY', 1.0 )\n \n ! Map PM10_HDSL - HAP inventory PM2.5 diesel mass\n CASE ( ID_PM10_HDSL ) \n N_VARS = 6\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM10' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'ADE_OTHR', 1.0 )\n CALL SET_ELMO_COEFF_MAP( IDG, 2, 'AERO', 'ADE_EC', 1.0 )\n CALL SET_ELMO_COEFF_MAP( IDG, 3, 'AERO', 'ADE_OC', 1.0 )\n CALL SET_ELMO_COEFF_MAP( IDG, 4, 'AERO', 'ADE_SO4', 1.0 )\n CALL SET_ELMO_COEFF_MAP( IDG, 5, 'AERO', 'ADE_NO3', 1.0 )\n CALL SET_ELMO_COEFF_MAP( IDG, 6, 'AERO', 'ADE_CORS', 1.0 )\n \n ! Map PM10_HBE - HAP inventory Beryllium\n CASE ( ID_PM10_HBE ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM10' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'ABE', 1.0 )\n \n ! Map PM10_HCD - HAP inventory Cadmium\n CASE ( ID_PM10_HCD ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM10' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'ACD', 1.0 )\n \n ! Map PM10_HCR3 - HAP inventory Chromium III\n CASE ( ID_PM10_HCR3 ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM10' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'ACR_III', 1.0 )\n \n ! Map PM10_HCR6 - HAP inventory Chromium VI\n CASE ( ID_PM10_HCR6 ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM10' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'ACR_VI', 1.0 )\n \n ! Map PM10_HCR - HAP inventory Total Chromium\n CASE ( ID_PM10_HCR ) \n N_VARS = 2\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM10' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AGG', 'PM10_HCR3', 1.0 )\n CALL SET_ELMO_COEFF_MAP( IDG, 2, 'AGG', 'PM10_HCR6', 1.0 )\n \n ! Map PM10_HPB - HAP inventory Lead\n CASE ( ID_PM10_HPB ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM10' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'APB', 1.0 )\n \n ! Map PM10_HMN - HAP inventory Manganese\n CASE ( ID_PM10_HMN ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM10' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'AMN_HAPS', 1.0 )\n \n ! Map PM10_HNI - HAP inventory Nickel\n CASE ( ID_PM10_HNI ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM10' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'ANI', 1.0 )\n \n ! Map PM10_HAS - HAP inventory Arsenic\n CASE ( ID_PM10_HAS ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM10' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'AAS', 1.0 )\n \n ! Map PM10_HG - Mercury\n CASE ( ID_PM10_HG ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM10' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'APHG', 1.0 )\n \n ! Map PM10_BENAPY - Benzo-a-Pyrene\n CASE ( ID_PM10_BENAPY ) \n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'PM10' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'ABENAPY', 1.0 )\n \n !!!! Other Parameters !!!! \n\n ! Map TNO3 - Total Inorganic Nitrate\n CASE ( ID_TNO3 ) \n N_VARS = 2\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'ALL' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'ANO3', 1.0 )\n CALL SET_ELMO_COEFF_MAP( IDG, 2, 'GAS', 'HNO3', 2175.6 ) ! Scale by 1000*MW_HNO3/MW_Air\n \n ! Map TNO3TOT - Total Inorganic+Organic Nitrate\n CASE ( ID_TNO3TOT ) \n N_VARS = 4\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'ALL' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1, 'AERO', 'ANO3', 1.0 )\n CALL SET_ELMO_COEFF_MAP( IDG, 2, 'GAS', 'HNO3', 2175.6 ) ! Scale by 1000*MW_HNO3/MW_Air\n CALL SET_ELMO_COEFF_MAP( IDG, 3, 'AERO', 'AISOPNN', 2.0*62.0/226.0 )\n CALL SET_ELMO_COEFF_MAP( IDG, 4, 'AERO', 'AMTNO3', 62.0/231.0 )\n \n ! Otherwise\n CASE DEFAULT\n ! If the IDG is less than N_ELMO_LIST, then do nothing\n ! because it is a parameter that would have been defined\n ! in one of the previous cases. If IDG is larger than\n ! N_ELMO_LIST, then look through CMAQ model species and\n ! Chemical Families to determine how to map it\n IF ( IDG .GT. N_ELMO_LIST ) THEN\n S = USED_CGRID_ID( IELMO )\n IF ( S .GT. 0 ) THEN\n ! CMAQ Species\n N_VARS = 1\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'ALL' )\n CALL SET_ELMO_COEFF_MAP( IDG, 1,'SPC', CGRID_NAME(S), 1.0 )\n END IF\n\n F = USED_FAM_ID( IELMO)\n IF ( F .GT. 0 ) THEN\n ! User-Defined Family\n N_VARS = CHEMFAMILYNUM( F )\n CALL INIT_ELMO_COEFFS( IDG, N_VARS, 'ALL' )\n DO IV = 1,N_VARS\n CALL SET_ELMO_COEFF_MAP( IDG, IV, 'SPC',\n & CHEMFAMILYMEMBERS(F,IV), 1.0 )\n END DO\n END IF\n END IF\n END SELECT\n\n END DO\n END SUBROUTINE MAP_ELMO_COEFFS\n \n!-------------------------------------------------------------------------\n SUBROUTINE INIT_ELMO_COEFFS( IDG, N_VARS, AEROTYPE_TMP )\n! This subroutine allocates and initalizes all of the elements of an \n! index IDG within the ELMO_COEFFS structure\n!\n! IDG - the index of this diagnostic parameter in the space defined\n! by the integer index variables like ID_PMF_POC, etc.\n! N_VARS - Number of variables used to create this parameter. Does\n! not include the number of modes. For example, ASO4I+ASO4J \n! counts as 1 variable (ASO4). It will be expanded to modes later.\n! AEROTYPE - Aerosol size range or mode to be calculated. This defines \n! the modes considered and the inlet type if any. Options\n! include:\n! ALL, NONE, ULTRAFINE, FINE, COARSE, NUCLEATION, AITKEN,\n! ACCUMULATION, PM01, PM1, PM25, PM10, PM25to10 and PMAMS\n! \n!-------------------------------------------------------------------------\n\n USE AERO_DATA, ONLY : N_MODE, AEROMODE\n\n IMPLICIT NONE\n\n INTEGER, INTENT( IN ) :: IDG \n INTEGER, INTENT( IN ) :: N_VARS\n CHARACTER( * ), INTENT( IN ) :: AEROTYPE_TMP\n CHARACTER( 20 ) AEROTYPE\n CHARACTER( 200 ) XMSG\n CHARACTER(16), SAVE :: PNAME = 'INIT_ELMO_COEF'\n INTEGER ALLOCSTAT\n\n ! Initialize All Components of ELMO_COEFFS\n ELMO_COEFFS( IDG )%L_MAPPED = .TRUE.\n ELMO_COEFFS( IDG )%N_VARS = N_VARS\n ALLOCATE( ELMO_COEFFS( IDG )%L_MODE( N_MODE ),\n & ELMO_COEFFS( IDG )%L_GAS ( N_VARS ),\n & ELMO_COEFFS( IDG )%L_SPC ( N_VARS ),\n & ELMO_COEFFS( IDG )%L_AGG ( N_VARS ),\n & ELMO_COEFFS( IDG )%I_SPEC( N_VARS ),\n & ELMO_COEFFS( IDG )%COEFF ( N_VARS ),\n & STAT=ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating ELMO_COEFFS' \n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n\n ELMO_COEFFS( IDG )%L_GAS ( : ) = .FALSE.\n ELMO_COEFFS( IDG )%L_SPC ( : ) = .FALSE.\n ELMO_COEFFS( IDG )%L_AGG ( : ) = .FALSE.\n ELMO_COEFFS( IDG )%I_SPEC ( : ) = 0\n ELMO_COEFFS( IDG )%L_MODE ( : ) = .FALSE.\n ELMO_COEFFS( IDG )%COEFF ( : ) = 0.\n ELMO_COEFFS( IDG )%INLET = 0\n ELMO_COEFFS( IDG )%WETNESS = IWET\n\n ! Specify the Aerosol Modes Needed and Inlet Type based on User\n ! Input through the AEROTYPE variable.\n AEROTYPE = AEROTYPE_TMP\n CALL UPCASE( AEROTYPE )\n SELECT CASE ( AEROTYPE )\n CASE ( 'ALL' )\n ELMO_COEFFS( IDG )%L_MODE( : ) = .TRUE.\n CASE ('NONE' )\n ELMO_COEFFS( IDG )%L_MODE( : ) = .FALSE.\n CASE ('ULTRAFINE' )\n ELMO_COEFFS( IDG )%L_MODE( : ) = AEROMODE(:)%ULTRAFINE_MASK\n CASE ('FINE' )\n ELMO_COEFFS( IDG )%L_MODE( : ) = AEROMODE(:)%FINE_MASK\n CASE ('COARSE' )\n ELMO_COEFFS( IDG )%L_MODE( : ) = AEROMODE(:)%COARSE_MASK\n CASE ('NUCLEATION' )\n ELMO_COEFFS( IDG )%L_MODE( : ) = AEROMODE(:)%NUC_MASK\n CASE ('AITKEN' )\n ELMO_COEFFS( IDG )%L_MODE( : ) = AEROMODE(:)%AITKEN_MASK\n CASE ('ACCUMULATION' )\n ELMO_COEFFS( IDG )%L_MODE( : ) = AEROMODE(:)%ACCUM_MASK\n CASE ('PM01' )\n ELMO_COEFFS( IDG )%L_MODE( : ) = .TRUE.\n ELMO_COEFFS( IDG )%INLET = IPM01\n ELMO_COEFFS( IDG )%WETNESS = IWET\n CASE ('PM1' )\n ELMO_COEFFS( IDG )%L_MODE( : ) = .TRUE.\n ELMO_COEFFS( IDG )%INLET = IPM1\n ELMO_COEFFS( IDG )%WETNESS = IWET\n CASE ('PM25' )\n ELMO_COEFFS( IDG )%L_MODE( : ) = .TRUE.\n ELMO_COEFFS( IDG )%INLET = IPM25\n ELMO_COEFFS( IDG )%WETNESS = IWET\n CASE ('PM10' )\n ELMO_COEFFS( IDG )%L_MODE( : ) = .TRUE.\n ELMO_COEFFS( IDG )%INLET = IPM10\n ELMO_COEFFS( IDG )%WETNESS = IWET\n CASE ('PM25TO10' )\n ELMO_COEFFS( IDG )%L_MODE( : ) = .TRUE.\n ELMO_COEFFS( IDG )%INLET = IPM25to10\n ELMO_COEFFS( IDG )%WETNESS = IWET\n CASE ('PMAMS' )\n ELMO_COEFFS( IDG )%L_MODE( : ) = .TRUE.\n ELMO_COEFFS( IDG )%INLET = IPMAMS\n ELMO_COEFFS( IDG )%WETNESS = IWET\n CASE DEFAULT\n XMSG = 'An aerosol descriptor (' // trim(AEROTYPE) // ') has been given ' //\n & 'for the mapping of a ELMO parameter. It is not recognized.'\n CALL M3EXIT( 'INIT_ELMO_COEFFS', 0, 0, XMSG, XSTAT1 )\n END SELECT\n\n\n END SUBROUTINE INIT_ELMO_COEFFS\n\n!-------------------------------------------------------------------------\n SUBROUTINE SET_ELMO_COEFF_MAP( IDG, IVAR, TSPEC_TMP, CSPEC, COEFF )\n! This subroutine maps the modes designated by the variable CMODE to\n! to the indices available in L_MODE.\n!-------------------------------------------------------------------------\n\n USE PRECURSOR_DATA, ONLY : N_PRECURSOR, PRECURSOR\n USE CGRID_SPCS, ONLY : N_CGRID_SPC, CGRID_NAME\n USE AERO_DATA, ONLY : N_AEROSPC, AEROSPC\n USE RUNTIME_VARS\n IMPLICIT NONE\n\n INTEGER, INTENT( IN ) :: IDG, IVAR\n CHARACTER( * ), INTENT( IN ) :: CSPEC\n CHARACTER( * ), INTENT( IN ) :: TSPEC_TMP ! AERO, PREC, GAS, or AGG\n CHARACTER( 4 ) :: TSPEC ! AERO, PREC, GAS, or AGG\n REAL, INTENT( IN ) :: COEFF\n INTEGER ISPEC, IUSED, JSPEC\n LOGICAL USED\n CHARACTER( 1000 ) :: XMSG\n\n TSPEC = TSPEC_TMP\n CALL UPCASE( TSPEC )\n\n ! Find Index of CSPEC in Gas Array, Aggregate Array or AEROSPC%BULKNAME\n IF ( TSPEC .EQ. 'GAS' ) THEN \n ! Find the location of CSPEC in CGRID\n ISPEC = INDEX1( CSPEC, N_CGRID_SPC, CGRID_NAME(:) )\n \n IF ( ISPEC .GT. 0 ) THEN\n ! Found the Index. Save it!\n ELMO_COEFFS( IDG )%I_SPEC( IVAR ) = ISPEC\n ELMO_COEFFS( IDG )%L_GAS( IVAR ) = .TRUE.\n ELSE\n ! Could not find the species in the CGRID Array. Print an\n ! Error and Warn\n XMSG = \"A PM Diagnostic variable has been requested that relies \" //\n & \"on gas species \" // TRIM(CSPEC) // \". This species has not been \" //\n & \"incorporated in the GC namelist though. Please check that your \"//\n & \"GC_namelist is compatible with the PM diagnostics you have called \"//\n & \"for in the Emmissions Control Namelist.\"\n !CALL LOG_MESSAGE( LOGDEV, XMSG )\n !CALL M3WARN( 'MAP_ELMO_COEFFS', 0, 0, '' )\n ELMO_COEFFS( IDG )%L_GAS( IVAR ) = .FALSE.\n END IF\n \n ELSE IF ( TSPEC .EQ. 'AGG' ) THEN \n ! Map to Index on ELMO_LIST, not the ID column\n ELMO_COEFFS( IDG )%L_AGG( IVAR ) = .TRUE.\n ISPEC = INDEX1( CSPEC, N_ELMO_LIST, ELMO_LIST%NAME )\n \n IF ( ISPEC .GT. 0 ) THEN\n ! Found the Index. Save the ID for this entry on the ELMO_LIST\n ELMO_COEFFS( IDG )%I_SPEC( IVAR ) = ELMO_LIST( ISPEC )%ID\n \n ! Check if it is used and add it to the USED_ELMO_ID\n ! vector if not\n USED = .FALSE.\n DO JSPEC = 1,N_ELMO\n IF ( ELMO_LIST( ISPEC )%ID .EQ. USED_ELMO_ID( JSPEC ) ) USED = .TRUE.\n END DO\n IF ( .NOT. USED ) THEN\n N_ELMO = N_ELMO + 1\n USED_ELMO_ID( N_ELMO ) = ELMO_LIST( ISPEC )%ID\n END IF\n\n ELSE\n ! Could not find the species in the ELMO List. Print an\n ! Error and Crash\n XMSG = \"ERROR: A PM Diagnostic variable has been requested that relies \" //\n & \"on the diagnostic aggregate variable \" // TRIM(CSPEC) // \". This variable \"//\n & \"has not been incorporated in the ELMO List though. Please check that the \"//\n & \"table in ELMO_DATA is compatible with the PM diagnostics you have defined \"//\n & \"in ELMO_PROC.\"\n CALL LOG_MESSAGE( LOGDEV, XMSG )\n CALL M3EXIT( 'MAP_ELMO_COEFFS', 0, 0, '', XSTAT1 )\n END IF \n \n ELSE IF ( TSPEC .EQ. 'SPC' ) THEN \n ! Map to a CGRID Species. No Special Instructions\n ELMO_COEFFS( IDG )%L_SPC( IVAR ) = .TRUE.\n ISPEC = INDEX1( CSPEC, N_CGRID_SPC, CGRID_NAME )\n ELMO_COEFFS( IDG )%I_SPEC( IVAR ) = ISPEC\n\n ELSE\n ! Aerosol\n ISPEC = INDEX1( CSPEC, N_AEROSPC, AEROSPC(:)%BULKNAME )\n \n IF ( ISPEC .GT. 0 ) THEN\n ! Found the Index. Save it!\n ELMO_COEFFS( IDG )%I_SPEC( IVAR ) = ISPEC\n ELSE\n ! Could not find the species in the Aerosol Array. Print an\n ! Error and Warn\n XMSG = \"A PM Diagnostic variable has been requested that relies \" //\n & \"on the aerosol species \"//TRIM(CSPEC)//\". This species has not been \" //\n & \"incorporated in the AE namelist though. Please check that your \"//\n & \"AE_namelist is compatible with the PM diagnostics you have called \"//\n & \"for in the Emmissions Control Namelist.\"\n !CALL LOG_MESSAGE( LOGDEV, XMSG )\n !CALL M3WARN( 'MAP_ELMO_COEFFS', 0, 0, '' )\n END IF\n END IF\n ELMO_COEFFS( IDG )%COEFF( IVAR ) = COEFF\n\n END SUBROUTINE SET_ELMO_COEFF_MAP\n\n!-------------------------------------------------------------------------\n SUBROUTINE CALC_CONCOUT_AGG( IDG, VAL )\n! This subroutine sums aggregate PM diagnostic parameters using the\n! ELMO_COEFFS structure as a guide for summing aerosol\n! components. \n!-------------------------------------------------------------------------\n USE AERO_DATA, ONLY : WET_AERO_M3, WET_AERO_M2, MOMENT0_CONC,\n & AH2O_IDX, AEROSPC, AEROSPC_CONC,\n & WET_AERO_DENS, N_MODE, AERO_MISSING,\n & AEROMODE\n USE PRECURSOR_DATA, ONLY : PRECURSOR_CONC\n USE AEROMET_DATA, ONLY : AIRDENS\n USE RUNTIME_VARS\n\n IMPLICIT NONE\n\n INTEGER, INTENT( IN ) :: IDG\n REAL, INTENT( INOUT ) :: VAL\n REAL VAL2\n INTEGER IVAR, ILIST\n LOGICAL L_CALC( N_ELMO )\n REAl COEFF\n INTEGER IM, WETNESS, ISPEC, INLET\n LOGICAL LMODE\n REAL FRAC( N_MODE )\n\n CHARACTER( 500 ) :: XMSG\n\n ! If this Aggregate has not been mapped already, then return an\n ! error and crash the model\n IF ( .NOT. ELMO_COEFFS( IDG )%L_MAPPED ) THEN\n ILIST = MAP_ID2LIST( IDG ) \n XMSG = 'ELMO Parameter ' // TRIM( ELMO_LIST( ILIST )%NAME ) //\n & ' has not been mapped to a procedure within ELMO_PROC even ' //\n & 'though it does appear to be an acceptable parameter on the ' //\n & 'ELMO_LIST. If you have added this parameter yourself, make ' //\n & 'sure it is being mapped to an actual calculation in CALC_ELMO ' //\n & 'or MAP_ELMO_COEFFS. If this parameter is needed for a different ' //\n & 'aggregate parameter you requested, please add this parameter ' //\n & 'explicitly as an ELMO requested output.'\n CALL LOG_MESSAGE( LOGDEV, XMSG )\n CALL M3EXIT( 'CALC_CONCOUT_AGG', 0, 0, '', XSTAT1 )\n END IF\n\n ! Initialize value of aggregate parameter\n VAL = 0.0\n \n ! Retrieve size cutoff if necessary\n IF ( ELMO_COEFFS( IDG )%INLET .EQ. IPMAMS ) THEN\n ! Inlet is for AMS Colection\n DO IM = 1,N_MODE\n IF ( INLET_FRAC( IPMAMS,IM,IWET ) .LT. 0. ) \n & CALL AERO_AMS( WET_AERO_M3( IM ), WET_AERO_M2( IM ),\n & MOMENT0_CONC( IM ), AEROSPC_CONC( AH2O_IDX,IM ),\n & WET_AERO_DENS( IM ),AEROSPC( AH2O_IDX )%DENSITY, \n & INLET_FRAC( IPMAMS,IM,IWET ) )\n FRAC( IM ) = INLET_FRAC( IPMAMS,IM,IWET )\n END DO\n ELSE IF ( ELMO_COEFFS(IDG)%INLET .GT. 0 .AND.\n & ELMO_COEFFS(IDG)%INLET .LE. N_INLET ) THEN\n ! Inlet is for a filter with a specific size-range. Call the\n ! AERO_INLET wrapper, GET_AERO_INLET.\n INLET = ELMO_COEFFS( IDG )%INLET\n WETNESS = ELMO_COEFFS( IDG )%WETNESS\n DO IM = 1,N_MODE\n IF ( INLET_FRAC( INLET,IM,WETNESS ) .LT. 0. ) \n & CALL GET_AERO_INLET( INLET, IM, WETNESS,\n & INLET_FRAC( INLET,IM,WETNESS ) )\n FRAC( IM ) = INLET_FRAC( INLET,IM,WETNESS )\n END DO\n ELSE \n ! No inlet was indicated or the number was outside defined\n ! bounds\n FRAC( : ) = 1.0\n END IF\n\n ! Loop through N_VARS and add species together\n DO IVAR = 1,ELMO_COEFFS( IDG )%N_VARS\n ISPEC = ELMO_COEFFS( IDG )%I_SPEC( IVAR )\n COEFF = ELMO_COEFFS( IDG )%COEFF( IVAR )\n\n IF ( ISPEC .GT. 0 ) THEN\n ! First check if this is a Gas from CGRID. All species\n ! labeled as Gas are assumed to be converted to mass units\n ! using the air density AIRDENS and MW conversions lumped\n ! into COEFF.\n IF ( ELMO_COEFFS( IDG )%L_GAS( IVAR ) ) THEN\n VAL = VAL + CONC_VEC( ISPEC ) * COEFF * AIRDENS\n\n ! Next check for aggregate variable\n ELSE IF ( ELMO_COEFFS( IDG )%L_AGG( IVAR ) ) THEN\n CALL CALC_ELMO( ISPEC, 1, VAL2 )\n VAL = VAL + VAL2 * COEFF\n\n ! Next check if this is a Species from CGRID that should be\n ! added as-is\n ELSE IF ( ELMO_COEFFS( IDG )%L_SPC( IVAR ) ) THEN\n VAL = VAL + CONC_VEC( ISPEC ) * COEFF\n\n ! Add Aerosol Components\n ELSE \n\n DO IM = 1,N_MODE\n ! If this mode is supposed to be added (LMODE) and the\n ! species is not missing, then add it up\n LMODE = ELMO_COEFFS( IDG )%L_MODE( IM )\n IF ( LMODE .AND. ( .NOT. AERO_MISSING( ISPEC,IM ) ) ) \n & VAL = VAL + AEROSPC_CONC( ISPEC, IM ) * COEFF * FRAC( IM )\n\n END DO\n END IF\n END IF\n\n END DO \n\n END SUBROUTINE CALC_CONCOUT_AGG\n \n!-------------------------------------------------------------------------\n RECURSIVE SUBROUTINE CALC_ELMO( IDG, IM, OUTVAL )\n! This subroutine maps the PM diagnostic variables that the user has\n! requested to the entries in the ELMO_DATA table.\n!-------------------------------------------------------------------------\n\n USE AERO_DATA, ONLY: AEROMODE_LNSG, DRY_AERO_DIAM, WET_AERO_DIAM,\n & DRY_AERO_M2, WET_AERO_M2, DRY_AERO_M3, \n & WET_AERO_M3, N_MODE, MOMENT0_CONC, MOMENT2_CONC,\n & MOMENT3_CONC, WET_AERO_DENS, AEROSPC_CONC,\n & AH2O_IDX, AORGH2O_IDX, AEROSPC, CALC_AERODIST_PARAMS,\n & AEROMODE, DRY_AERO_DENS, APOC_IDX, APNCOM_IDX\n USE AEROMET_DATA, ONLY: AIRRH, PI, AIRTEMP, SRFTEMP, AIRPRES, DZ, CFRAC, PV, ZH\n USE CGRID_SPCS, ONLY : RHOJ_LOC\n USE SOA_DEFN, ONLY : N_OA, N_OA_NotTracers, OASPC, MAP_OAtoAERO\n USE RUNTIME_VARS, ONLY : PHOTDIAG\n USE ASX_DATA_MOD, ONLY : MET_DATA\n\n IMPLICIT NONE\n\n INTEGER, INTENT( IN ) :: IDG, IM\n REAL, INTENT( INOUT ) :: OUTVAL\n INTEGER IUSED, IMODE, IVAR, IOA\n REAL VAL4, VAL3, VAL2, VAL, FRAC( N_MODE )\n REAL PM01, PM1, PM25, PM10, PMAMS, PM25to10, POM, POC, OtoC\n REAL K, P1, P2, P3, a, K2, PMF_NO3, PMF_NO3_LOSS,\n & PMF_NH4_LOSS, PMF_NH4, PMF_SO4, PMF_MASS,\n & PM25_NH4, PM25_NO3, PM25_SO4, PM25_NO3_LOSS,\n & PM25_NH4_LOSS\n\n ! Map this combination of ID number and mode to the USED\n ! Parameters list, which is how ELMO_LOCAL is defined.\n IUSED = MAP_ID2USED( IDG, IM )\n\n ! First determine if this parameter has been mapped already. If it\n ! has, send it back\n IF ( L_CALC( IUSED ) ) THEN\n OUTVAL = ELMO_LOCAL( IUSED )\n RETURN\n END IF\n\n OUTVAL = 0.0\n\n ! Determine which parameter to calculate\n SELECT CASE( IDG )\n\n ! Retrieve Standard Deviation of Each Mode\n CASE ( ID_STDEV )\n OUTVAL = EXP( AEROMODE_LNSG( IM ) )\n\n ! Retrieve Mode Dry Diameter\n CASE ( ID_DRY_DG )\n OUTVAL = DRY_AERO_DIAM( IM ) ! dry diam.\n\n ! Retrieve Mode Wet Diameter\n CASE ( ID_WET_DG )\n OUTVAL = WET_AERO_DIAM( IM ) ! wet diam.\n\n ! Retrieve Mode Wet Second Moment\n CASE ( ID_WET_M2 )\n OUTVAL = WET_AERO_M2( IM ) ! dry M2\n\n ! Retrieve Dry Third Moment\n CASE ( ID_DRY_M3 )\n OUTVAL = DRY_AERO_M3( IM ) ! dry M3\n\n ! Retrieve Wet Third Moment\n CASE ( ID_WET_M3 )\n OUTVAL = WET_AERO_M3( IM ) ! wet M3\n\n ! Retrieve Total Particle Number\n CASE ( ID_PM_NUM )\n OUTVAL = SUM( MOMENT0_CONC( : ) ) ! N m-3\n\n ! Retrieve Ultrafine-Particle Particle Number\n CASE ( ID_PMU_NUM )\n OUTVAL = SUM( MOMENT0_CONC( : ), \n & MASK=AEROMODE(:)%ULTRAFINE_MASK ) ! N m-3\n \n ! Retrieve Fine-Particle Particle Number\n CASE ( ID_PMF_NUM )\n OUTVAL = SUM( MOMENT0_CONC( : ), \n & MASK=AEROMODE(:)%FINE_MASK ) ! N m-3\n \n ! Retrieve Coarse-Particle Particle Number\n CASE ( ID_PMC_NUM )\n OUTVAL = SUM( MOMENT0_CONC( : ), \n & MASK=AEROMODE(:)%COARSE_MASK ) ! N m-3\n\n ! Retrieve N10 - Number of Particles Greater than 10 nm\n CASE ( ID_N10 )\n CALL SUM_INLET_NUM( INUM10, IWET, OUTVAL )\n\n ! Retrieve N20 - Number of Particles Greater than 20 nm\n CASE ( ID_N20 )\n CALL SUM_INLET_NUM( INUM20, IWET, OUTVAL )\n\n ! Retrieve N40 - Number of Particles Greater than 40 nm\n CASE ( ID_N40 )\n CALL SUM_INLET_NUM( INUM40, IWET, OUTVAL )\n\n ! Retrieve N100 - Number of Particles Greater than 100 nm\n CASE ( ID_N100 )\n CALL SUM_INLET_NUM( INUM100, IWET, OUTVAL )\n\n ! Retrieve Total Particle Surface Area\n CASE ( ID_PM_SRF )\n OUTVAL = PI * SUM( MOMENT2_CONC( : ) ) ! N m-3\n\n ! Retrieve Ultrafine Particle Surface Area\n CASE (ID_PMU_SRF )\n OUTVAL = PI * SUM( MOMENT2_CONC( : ), \n & MASK=AEROMODE(:)%ULTRAFINE_MASK ) ! N m-3\n\n ! Retrieve Fine Particle Surface Area\n CASE ( ID_PMF_SRF )\n OUTVAL = PI * SUM( MOMENT2_CONC( : ), \n & MASK=AEROMODE(:)%FINE_MASK ) ! N m-3\n\n ! Retrieve Coarse Particle Surface Area\n CASE ( ID_PMC_SRF )\n OUTVAL = PI * SUM( MOMENT2_CONC( : ), \n & MASK=AEROMODE(:)%COARSE_MASK ) ! N m-3\n\n ! Retrieve Total Particle Mass\n CASE ( ID_PM_MASS )\n DO IMODE = 1,N_MODE\n OUTVAL = OUTVAL +\n & SUM( AEROSPC_CONC( :,IMODE ),\n & MASK=.NOT.AEROSPC(:)%TRACER ) ! ug m-3\n & - AEROSPC_CONC( AH2O_IDX,IMODE )\n IF ( AORGH2O_IDX .GT. 0 ) OUTVAL = OUTVAL\n & - AEROSPC_CONC( AORGH2O_IDX,IMODE ) ! ug m-3 \n END DO\n\n ! Retrieve Ultrafine Particle Mass\n CASE ( ID_PMU_MASS )\n DO IMODE = 1,N_MODE\n IF ( AEROMODE( IMODE )%ULTRAFINE_MASK ) THEN\n OUTVAL = OUTVAL +\n & SUM( AEROSPC_CONC( :,IMODE ),\n & MASK=.NOT.AEROSPC(:)%TRACER ) ! ug m-3\n & - AEROSPC_CONC( AH2O_IDX,IMODE )\n IF ( AORGH2O_IDX .GT. 0 ) OUTVAL = OUTVAL\n & - AEROSPC_CONC( AORGH2O_IDX,IMODE ) ! ug m-3\n END IF\n END DO\n\n ! Retrieve Fine Particle Mass\n CASE ( ID_PMF_MASS )\n DO IMODE = 1,N_MODE\n IF ( AEROMODE( IMODE )%FINE_MASK ) THEN\n OUTVAL = OUTVAL +\n & SUM( AEROSPC_CONC( :,IMODE ),\n & MASK=.NOT.AEROSPC(:)%TRACER )\n & - AEROSPC_CONC( AH2O_IDX,IMODE )\n IF ( AORGH2O_IDX .GT. 0 ) OUTVAL = OUTVAL\n & - AEROSPC_CONC( AORGH2O_IDX,IMODE ) ! ug m-3\n END IF\n END DO\n\n ! Retrieve Coarse Particle Mass\n CASE ( ID_PMC_MASS )\n DO IMODE = 1,N_MODE\n IF ( AEROMODE( IMODE )%COARSE_MASK ) THEN\n OUTVAL = OUTVAL +\n & SUM( AEROSPC_CONC( :,IMODE ),\n & MASK=.NOT.AEROSPC(:)%TRACER ) ! ug m-3\n & - AEROSPC_CONC( AH2O_IDX,IMODE )\n IF ( AORGH2O_IDX .GT. 0 ) OUTVAL = OUTVAL\n & - AEROSPC_CONC( AORGH2O_IDX,IMODE ) ! ug m-3\n END IF\n END DO\n\n ! Retrieve Nucleation-Mode Particle Mass\n CASE ( ID_PMNUC_MASS )\n DO IMODE = 1,N_MODE\n IF ( AEROMODE( IMODE )%NUC_MASK ) THEN\n OUTVAL = OUTVAL +\n & SUM( AEROSPC_CONC( :,IMODE ),\n & MASK=.NOT.AEROSPC(:)%TRACER ) ! ug m-3\n & - AEROSPC_CONC( AH2O_IDX,IMODE )\n IF ( AORGH2O_IDX .GT. 0 ) OUTVAL = OUTVAL\n & - AEROSPC_CONC( AORGH2O_IDX,IMODE ) ! ug m-3\n END IF\n END DO\n\n ! Retrieve Aitken-Mode Particle Mass\n CASE ( ID_PMAIT_MASS )\n DO IMODE = 1,N_MODE\n IF ( AEROMODE( IMODE )%AITKEN_MASK ) THEN\n OUTVAL = OUTVAL +\n & SUM( AEROSPC_CONC( :,IMODE ),\n & MASK=.NOT.AEROSPC(:)%TRACER ) ! ug m-3\n & - AEROSPC_CONC( AH2O_IDX,IMODE )\n IF ( AORGH2O_IDX .GT. 0 ) OUTVAL = OUTVAL\n & - AEROSPC_CONC( AORGH2O_IDX,IMODE ) ! ug m-3\n END IF\n END DO\n\n ! Retrieve Accumution-Mode Particle Mass\n CASE ( ID_PMACC_MASS )\n DO IMODE = 1,N_MODE\n IF ( AEROMODE( IMODE )%ACCUM_MASK ) THEN\n OUTVAL = OUTVAL +\n & SUM( AEROSPC_CONC( :,IMODE ),\n & MASK=.NOT.AEROSPC(:)%TRACER ) ! ug m-3\n & - AEROSPC_CONC( AH2O_IDX,IMODE )\n IF ( AORGH2O_IDX .GT. 0 ) OUTVAL = OUTVAL\n & - AEROSPC_CONC( AORGH2O_IDX,IMODE ) ! ug m-3\n END IF\n END DO\n\n ! Retrieve Dry Mode Density [kg m-3]\n CASE ( ID_DRY_DENS )\n OUTVAL = DRY_AERO_DENS( IM ) ! dry i-mode Density\n\n ! Retrieve Wet Mode Density [kg m-3]\n CASE ( ID_WET_DENS )\n OUTVAL = WET_AERO_DENS( IM ) ! wet i-mode Density\n\n ! Retrieve PM01 Fraction in Each Mode\n CASE ( ID_FPM01 )\n CALL GET_AERO_INLET( IPM01, IM, IWET, VAL ) \n OUTVAL = VAL\n\n ! Retrieve PM1 Fraction in Each Mode\n CASE ( ID_FPM1 )\n CALL GET_AERO_INLET( IPM1, IM, IWET, VAL ) \n OUTVAL = VAL\n\n ! Retrieve PM25 Fraction in Each Mode\n CASE ( ID_FPM25 )\n CALL GET_AERO_INLET( IPM25, IM, IWET, VAL ) \n OUTVAL = VAL\n\n ! Retrieve PM10 Fraction in Each Mode\n CASE ( ID_FPM10 )\n CALL GET_AERO_INLET( IPM10, IM, IWET, VAL ) \n OUTVAL = VAL\n\n ! Retrieve PM2.5-10 Fraction in Each Mode\n CASE ( ID_FPM25to10 )\n CALL GET_AERO_INLET( IPM25to10, IM, IWET, VAL ) \n OUTVAL = VAL\n\n ! Retrieve AMS Fraction in Each Mode\n CASE ( ID_FAMS )\n IF ( INLET_FRAC( IPMAMS,IM,IWET ) .LT. 0. ) THEN\n CALL AERO_AMS( WET_AERO_M3( IM ), WET_AERO_M2( IM ),\n & MOMENT0_CONC( IM ), AEROSPC_CONC( AH2O_IDX,IM ),\n & WET_AERO_DENS( IM ),AEROSPC( AH2O_IDX )%DENSITY, \n & VAL )\n INLET_FRAC( IPMAMS,IM,IWET ) = VAL\n END IF\n OUTVAL = INLET_FRAC( IPMAMS,IM,IWET )\n \n ! Retrieve Bulk PM0.1 Concentration\n CASE ( ID_PM01 )\n CALL SUM_INLET_PM( IPM01, IWET, PM01 )\n OUTVAL = PM01\n\n ! Retrieve Bulk PM1.0 Concentration\n CASE ( ID_PM1 )\n CALL SUM_INLET_PM( IPM1, IWET, PM1 )\n OUTVAL = PM1\n\n ! Retrieve Bulk PM2.5 Concentration\n CASE ( ID_PM25 )\n CALL SUM_INLET_PM( IPM25, IWET, PM25 )\n OUTVAL = PM25 \n\n ! Retrieve Bulk PM10.0 Concentration\n CASE ( ID_PM10 )\n CALL SUM_INLET_PM( IPM10, IWET, PM10 )\n OUTVAL = PM10\n \n ! Retrieve Bulk PM2.5-10.0 Concentration\n CASE ( ID_PM25to10 )\n CALL SUM_INLET_PM( IPM25to10, IWET, PM25to10 )\n OUTVAL = PM25to10\n\n ! Retrieve Bulk PM Concentration Relevant for the AMS\n CASE ( ID_PMAMS )\n PMAMS = 0.0 \n DO IMODE = 1,N_MODE\n IF ( INLET_FRAC( IPMAMS,IMODE,IWET ) .LT. 0. ) THEN\n CALL AERO_AMS( WET_AERO_M3( IMODE ), WET_AERO_M2( IMODE ),\n & MOMENT0_CONC( IMODE ), AEROSPC_CONC( AH2O_IDX,IMODE ),\n & WET_AERO_DENS( IMODE ),AEROSPC( AH2O_IDX )%DENSITY, \n & VAL )\n INLET_FRAC( IPMAMS,IMODE,IWET ) = VAL\n END IF\n PMAMS = PMAMS + ( SUM( AEROSPC_CONC( :,IMODE ),\n & MASK = .NOT.AEROSPC(:)%TRACER ) \n & - AEROSPC_CONC( AH2O_IDX,IMODE ) )\n & * INLET_FRAC( IPMAMS,IMODE,IWET ) \n IF ( AORGH2O_IDX .GT. 0 ) PMAMS = PMAMS\n & - AEROSPC_CONC( AORGH2O_IDX,IMODE ) ! ug m-3\n & * INLET_FRAC( IPMAMS,IMODE,IWET ) \n END DO\n OUTVAL = PMAMS\n \n ! Calculate AHPMOLAL - Fine Mode Concentration of H+ in\n ! Particle Water\n CASE ( ID_PMF_HPM )\n ! Retrieve AHPLUSIJ\n CALL CALC_ELMO( ID_PMF_HP, 1, VAL )\n ! Retrieve AH2OIJ\n CALL CALC_ELMO( ID_PMF_H2O, 1, VAL2 )\n ! HPMOLAL = AHPLUSIJ / AH2OIJ * 1000.0 [mol L-1]\n OUTVAL = VAL / VAL2 * 1000.0\n\n ! Calculate PMF_PH - Fine-Mode pH\n CASE ( ID_PMF_PH )\n ! Retrieve HPMOLAL\n CALL CALC_ELMO( ID_PMF_HPM, 1, VAL )\n ! Retrieve AH2OIJ\n CALL CALC_ELMO( ID_PMF_H2O, 1, VAL2 )\n\n !PMF_PH = -1*LOG10(HPMOLAL)\n#ifdef mpas\n OUTVAL = -9.999E36\n#else\n OUTVAL = BADVAL3\n#endif\n IF ( VAL2 .GT. 0.01 )\n & OUTVAL = -1.0 * LOG10( VAL )\n\n ! Calculate POCIJ - Fine-Mode Primary Organic Carbon Mass\n CASE ( ID_PMF_POC )\n ! Sum up primary organic aerosol species normalized to\n ! just carbon mass\n VAL = 0.0\n DO IOA = 1,N_OA_NotTracers\n ! Just Select Primary Species\n IF ( OASPC( IOA )%PRIMARY ) THEN \n IF ( OASPC( IOA )%OMtoOC .gt. 0.0 ) \n & VAL = VAL + SUM( AEROSPC_CONC( MAP_OAtoAERO(IOA),: ),\n & MASK = AEROMODE(:)%FINE_MASK ) \n & / OASPC( IOA )%OMtoOC\n END IF\n END DO\n OUTVAL = VAL\n \n ! Calculate SOCIJ - Fine-Mode Secondary Organic Carbon Mass\n CASE ( ID_PMF_SOC )\n ! Sum up primary organic aerosol species normalized to\n ! just carbon mass\n VAL = 0.0\n DO IOA = 1,N_OA_NotTracers\n ! Skip primary species and those with negative OM:OC \n IF ( OASPC( IOA )%OMtoOC .GT. 0.0 .AND. .NOT. OASPC( IOA )%PRIMARY ) THEN \n VAL = VAL + SUM( AEROSPC_CONC( MAP_OAtoAERO(IOA),: ),\n & MASK = AEROMODE(:)%FINE_MASK ) \n & / OASPC( IOA )%OMtoOC\n END IF\n END DO\n OUTVAL = VAL \n \n ! Calculate OCIJ - Fine-Mode Organic Carbon Mass\n CASE ( ID_PMF_OC )\n ! Sum up primary organic aerosol species normalized to\n ! just carbon mass\n VAL = 0.0\n DO IOA = 1,N_OA_NotTracers\n ! Skip species with negative OM:OC\n IF ( OASPC( IOA )%OMtoOC .GT. 0.0 ) THEN\n VAL = VAL + SUM( AEROSPC_CONC( MAP_OAtoAERO(IOA),: ),\n & MASK = AEROMODE(:)%FINE_MASK ) \n & / OASPC( IOA )%OMtoOC\n END IF\n END DO\n OUTVAL = VAL \n\n ! Calculate PMF_POA - Fine-Mode Primary Organic Aerosol Mass\n CASE ( ID_PMF_POA )\n ! Sum up primary organic aerosol species \n VAL = 0.0\n DO IOA = 1,N_OA_NotTracers\n ! Just Select Primary Species\n IF ( OASPC( IOA )%PRIMARY ) \n & VAL = VAL + SUM( AEROSPC_CONC( MAP_OAtoAERO(IOA),: ),\n & MASK = AEROMODE(:)%FINE_MASK ) \n END DO\n OUTVAL = VAL\n \n ! Calculate PMF_SOA - Fine-Mode Secondary Organic Aerosol Mass\n CASE ( ID_PMF_SOA )\n ! Sum up primary organic aerosol species \n VAL = 0.0\n DO IOA = 1,N_OA_NotTracers\n ! Just Select Secondary Species\n IF ( .NOT.OASPC( IOA )%PRIMARY ) \n & VAL = VAL + SUM( AEROSPC_CONC( MAP_OAtoAERO(IOA),: ),\n & MASK = AEROMODE(:)%FINE_MASK ) \n END DO\n OUTVAL = VAL\n \n ! Calculate PMF_OA - Fine-Mode Organic Aerosol Mass\n CASE ( ID_PMF_OA )\n ! Sum up primary organic aerosol species \n VAL = 0.0\n DO IOA = 1,N_OA_NotTracers\n VAL = VAL + SUM( AEROSPC_CONC( MAP_OAtoAERO(IOA),: ),\n & MASK = AEROMODE(:)%FINE_MASK ) \n END DO\n OUTVAL = VAL \n \n ! Calculate PMF_ASOA - Fine-Mode Anthropogenic OA Mass\n CASE ( ID_PMF_ASOA )\n ! Sum up anthropogenic oa species \n VAL = 0.0\n DO IOA = 1,N_OA_NotTracers\n ! Just Select Anthropogenic Species\n IF ( .NOT.OASPC( IOA )%PRIMARY .AND. OASPC( IOA )%ANTHRO ) \n & VAL = VAL + SUM( AEROSPC_CONC( MAP_OAtoAERO(IOA),: ),\n & MASK = AEROMODE(:)%FINE_MASK ) \n END DO\n OUTVAL = VAL\n \n ! Calculate PMF_BSOA - Fine-Mode Biogenic SOA Mass\n CASE ( ID_PMF_BSOA )\n ! Sum up biogenic soa species \n VAL = 0.0\n DO IOA = 1,N_OA_NotTracers \n ! Just Select Biogenic Secondary Species\n IF ( .NOT.OASPC( IOA )%PRIMARY .AND. OASPC( IOA )%BIOG ) \n & VAL = VAL + SUM( AEROSPC_CONC( MAP_OAtoAERO(IOA),: ),\n & MASK = AEROMODE(:)%FINE_MASK ) \n END DO\n OUTVAL = VAL\n \n ! Calculate PMF_OMOC - Fine-Mode OM:OC \n CASE ( ID_PMF_OMOC )\n VAL = 0.0\n VAL2 = 0.0\n CALL CALC_ELMO( ID_PMF_OA, 1, VAL )\n CALL CALC_ELMO( ID_PMF_OC, 1, VAL2 )\n OUTVAL = VAL / ( VAL2 + TINY( 0.0 ) )\n \n ! Calculate PMF_OtoC - Fine-Mode O:C \n CASE ( ID_PMF_OtoC )\n CALL CALC_ELMO( ID_PMF_OA, 1, VAL )\n\n VAL2 = 0.0\n DO IOA = 1,N_OA_NotTracers\n IF ( MAP_OAtoAERO(IOA) .NE. APOC_IDX .AND.\n & MAP_OAtoAERO(IOA) .NE. APNCOM_IDX ) THEN\n ! Weight OA Sum by O:C\n VAL2 = VAL2 + SUM( AEROSPC_CONC( MAP_OAtoAERO(IOA),: ), \n & MASK = AEROMODE(:)%FINE_MASK ) \n & * OASPC(IOA)%OtoC \n END IF\n END DO\n ! Add POC/PNCOM Contribution to Weighted O:C\n POC = SUM( AEROSPC_CONC(APOC_IDX,:),MASK = AEROMODE(:)%FINE_MASK )\n POM = POC + SUM( AEROSPC_CONC(APNCOM_IDX,:), MASK = AEROMODE(:)%FINE_MASK )\n OtoC = 12./15. * ( POM / ( POC + TINY(0.0) ) )- 14./15. \n \n OUTVAL = ( VAL2 + OtoC*POM ) / ( VAL + TINY(0.0))\n\n ! Calculate PM1_OC - PM1.0 Organic Carbon Mass\n CASE ( ID_PM1_OC )\n ! Save PM1 Fraction for each mode\n DO IMODE = 1,N_MODE\n CALL GET_AERO_INLET( IPM1, IMODE, IWET, FRAC( IMODE ) ) \n END DO\n ! Sum up primary organic aerosol species normalized to\n ! just carbon mass\n VAL = 0.0\n DO IOA = 1,N_OA_NotTracers\n IF ( OASPC( IOA )%OMtoOC .GE. 0.0 ) \n & VAL = VAL + SUM( AEROSPC_CONC( MAP_OAtoAERO(IOA),: ) * FRAC(:))\n & / OASPC( IOA )%OMtoOC\n END DO\n OUTVAL = VAL \n \n ! Calculate PM1_OM - PM1.0 Organic Aerosol Mass\n CASE ( ID_PM1_OA )\n ! Save PM1 Fraction for each mode\n DO IMODE = 1,N_MODE\n CALL GET_AERO_INLET( IPM1, IMODE, IWET, FRAC( IMODE ) ) \n END DO\n ! Sum up primary organic aerosol species\n VAL = 0.0\n DO IOA = 1,N_OA_NotTracers\n VAL = VAL + SUM( AEROSPC_CONC( MAP_OAtoAERO(IOA),: ) * FRAC(:))\n END DO\n OUTVAL = VAL \n \n ! Calculate PM25_OC - PM2.5 Organic Carbon Mass\n CASE ( ID_PM25_OC )\n ! Save PM2.5 Fraction for each mode\n DO IMODE = 1,N_MODE\n CALL GET_AERO_INLET( IPM25, IMODE, IWET, FRAC( IMODE ) ) \n END DO\n ! Sum up primary organic aerosol species normalized to\n ! just carbon mass\n VAL = 0.0\n DO IOA = 1,N_OA_NotTracers\n IF ( OASPC( IOA )%OMtoOC .GE. 0.0 ) \n & VAL = VAL + SUM( AEROSPC_CONC( MAP_OAtoAERO(IOA),: ) * FRAC(:) )\n & / OASPC( IOA )%OMtoOC\n END DO\n OUTVAL = VAL \n \n ! Calculate PM25_OM - PM2.5 Organic Aerosol Mass\n CASE ( ID_PM25_OA )\n ! Save PM2.5 Fraction for each mode\n DO IMODE = 1,N_MODE\n CALL GET_AERO_INLET( IPM25, IMODE, IWET, FRAC( IMODE ) ) \n END DO\n ! Sum up primary organic aerosol species\n VAL = 0.0\n DO IOA = 1,N_OA_NotTracers\n VAL = VAL + SUM( AEROSPC_CONC( MAP_OAtoAERO(IOA),: ) * FRAC(:) )\n END DO\n OUTVAL = VAL \n \n ! Retrieve OA Concentration Relevant for the AMS\n CASE ( ID_AMS_OA )\n VAL2 = 0.0 \n DO IMODE = 1,N_MODE\n IF ( INLET_FRAC( IPMAMS,IMODE,IWET ) .LT. 0. ) THEN\n CALL AERO_AMS( WET_AERO_M3( IMODE ), WET_AERO_M2( IMODE ),\n & MOMENT0_CONC( IMODE ), AEROSPC_CONC( AH2O_IDX,IMODE ),\n & WET_AERO_DENS( IMODE ),AEROSPC( AH2O_IDX )%DENSITY, \n & VAL )\n INLET_FRAC( IPMAMS,IMODE,IWET ) = VAL\n END IF\n VAL2 = VAL2 + SUM( AEROSPC_CONC( :,IMODE ),\n & MASK = (.NOT.AEROSPC(:)%TRACER .AND. AEROSPC(:)%OM) ) \n & * INLET_FRAC( IPMAMS,IMODE,IWET ) \n END DO\n OUTVAL = VAL2\n \n ! Calculate O:C relevant for AMS observations\n CASE ( ID_AMS_OtoC )\n CALL CALC_ELMO( ID_AMS_OA, 1, VAL )\n\n VAL2 = 0.0\n VAL4 = 0.0\n DO IMODE = 1,N_MODE\n IF ( INLET_FRAC( IPMAMS,IMODE,IWET ) .LT. 0. ) THEN\n CALL AERO_AMS( WET_AERO_M3( IMODE ), WET_AERO_M2( IMODE ),\n & MOMENT0_CONC( IMODE ), AEROSPC_CONC( AH2O_IDX,IMODE ),\n & WET_AERO_DENS( IMODE ),AEROSPC( AH2O_IDX )%DENSITY, \n & FRAC(IMODE) )\n INLET_FRAC( IPMAMS,IMODE,IWET ) = FRAC(IMODE)\n END IF\n \n DO IOA = 1,N_OA_NotTracers\n IF ( MAP_OAtoAERO(IOA) .NE. APOC_IDX .AND.\n & MAP_OAtoAERO(IOA) .NE. APNCOM_IDX ) THEN\n ! Weight OA Sum by O:C\n VAL2 = VAL2 + AEROSPC_CONC( MAP_OAtoAERO(IOA),IMODE ) \n & * OASPC(IOA)%OtoC * INLET_FRAC( IPMAMS,IMODE,IWET )\n END IF\n END DO\n ! Add POC/PNCOM Contribution to Weighted O:C\n VAL3 = ( AEROSPC_CONC(APOC_IDX,IMODE) \n & + AEROSPC_CONC(APNCOM_IDX,IMODE) )\n & * INLET_FRAC( IPMAMS,IMODE,IWET )\n VAL3 = ( 12./15. * ( VAL3 / ( AEROSPC_CONC(APOC_IDX,IMODE)\n & *INLET_FRAC(IPMAMS,IMODE,IWET) \n & + TINY(0.0) ) ) - 14./15. ) * VAL3\n VAL4 = VAL4 + VAL3\n END DO\n OUTVAL = ( VAL2 + VAL4 ) / ( VAL + TINY(0.0))\n \n ! Calculate Aerosol Fraction of Benzo-a-Pyrene\n CASE ( ID_BENAPY_FAERO )\n CALL CALC_ELMO( ID_PMF_BENAPY, 1, VAL )\n CALL CALC_ELMO( ID_GAS_BENAPY, 1, VAL2 )\n OUTVAL = VAL / ( VAL + VAL2 + TINY( 0.0 ) )\n\n ! Retrieve Fine-Mode Particle Mass Collected by the Federal\n ! Reference Method compliant sampler\n CASE ( ID_PMF_FRM )\n K = EXP( 118.87 - 24084/SRFTEMP - 6.025*LOG( SRFTEMP ) )\n P1 = EXP( 8763/SRFTEMP + 19.12*LOG( SRFTEMP ) - 135.94 )\n P2 = EXP( 9969/SRFTEMP + 16.22*LOG( SRFTEMP ) - 122.65 )\n P3 = EXP( 13875/SRFTEMP + 24.46*LOG( SRFTEMP ) - 182.61 )\n a = 1 - AIRRH \n IF ( AIRRH .LE. 0.61 ) THEN\n K2 = K ** 0.5\n ELSE\n K2 = ( K * ( P1 - P2*a + P3*a*a ) * ( a**1.75 ) ) ** 0.5\n END IF\n\n CALL CALC_ELMO( ID_PMF_NO3, 1, PMF_NO3 )\n PMF_NO3_LOSS = MIN( 745.7/SRFTEMP * K2, PMF_NO3 )\n\n PMF_NH4_LOSS = PMF_NO3_LOSS * 18.0 / 62.0\n\n CALL CALC_ELMO( ID_PMF_NH4, 1, PMF_NH4 )\n CALL CALC_ELMO( ID_PMF_SO4, 1, PMF_SO4 ) \n CALL CALC_ELMO( ID_PMF_MASS,1, PMF_MASS) \n\n OUTVAL = PMF_MASS - PMF_NO3_LOSS - PMF_NH4_LOSS\n & +0.24 * ( PMF_SO4 + PMF_NH4 - PMF_NH4_LOSS ) + 0.5\n \n ! Retrieve PM2.5 Particle Mass Collected by the Federal\n ! Reference Method compliant sampler\n CASE ( ID_PM25_FRM )\n K = EXP( 118.87 - 24084/SRFTEMP - 6.025*LOG( SRFTEMP ) )\n P1 = EXP( 8763/SRFTEMP + 19.12*LOG( SRFTEMP ) - 135.94 )\n P2 = EXP( 9969/SRFTEMP + 16.22*LOG( SRFTEMP ) - 122.65 )\n P3 = EXP( 13875/SRFTEMP + 24.46*LOG( SRFTEMP ) - 182.61 )\n a = 1 - AIRRH \n IF ( AIRRH .LE. 0.61 ) THEN\n K2 = K ** 0.5\n ELSE\n K2 = ( K * ( P1 - P2*a + P3*a*a ) * ( a**1.75 ) ) ** 0.5\n END IF\n\n CALL CALC_ELMO( ID_PM25_NO3, 1, PM25_NO3 )\n PM25_NO3_LOSS = MIN( 745.7/SRFTEMP * K2, PM25_NO3 )\n\n PM25_NH4_LOSS = PM25_NO3_LOSS * 18.0 / 62.0\n\n CALL CALC_ELMO( ID_PM25_NH4, 1, PM25_NH4 )\n CALL CALC_ELMO( ID_PM25_SO4, 1, PM25_SO4 ) \n CALL SUM_INLET_PM( IPM25, IWET, PM25 )\n\n OUTVAL = PM25 - PM25_NO3_LOSS - PM25_NH4_LOSS\n & +0.24 * ( PM25_SO4 + PM25_NH4 - PM25_NH4_LOSS ) + 0.5\n \n ! Retrieve GAMMA_N2O5IJ - fine N2O5 heterogeneous rxn probability\n CASE ( ID_GN2O5F )\n IF ( AERO_CHEM_SET ) OUTVAL = GAMMA_N2O5IJ( C1,R1,L1 )\n\n ! Retrieve GAMMA_N2O5K - coarse N2O5 heterogeneous rxn probability\n CASE ( ID_GN2O5C )\n IF ( AERO_CHEM_SET ) OUTVAL = GAMMA_N2O5K( C1,R1,L1 )\n\n ! Retrieve YCLNO2IJ - fine CLNO2 heterogeneous rxn probability\n CASE ( ID_YCLNO2F )\n IF ( AERO_CHEM_SET ) OUTVAL = YCLNO2IJ( C1,R1,L1 )\n\n ! Retrieve YCLNO2K - coarse CLNO2 heterogeneous rxn probability\n CASE ( ID_YCLNO2C )\n IF ( AERO_CHEM_SET ) OUTVAL = YCLNO2K( C1,R1,L1 )\n\n ! Retrieve GAMMA_IEPOX - heterogeneous uptake coefficient\n CASE ( ID_GIEPOX )\n IF ( AERO_CHEM_SET ) OUTVAL = GAMMA_IEPOX( C1,R1,L1 )\n\n ! Retrieve Particle-Phase Reaction Rate Constant for IEPOX\n CASE ( ID_KIEPOX )\n IF ( AERO_CHEM_SET ) OUTVAL = KPARTIEPOX( C1,R1,L1 )\n\n ! Retrieve IMAE Heterogeneous Uptake Coefficient\n CASE ( ID_GIMAE )\n IF ( AERO_CHEM_SET ) OUTVAL = GAMMA_IMAE( C1,R1,L1 )\n\n ! Retrieve AOD at 550 nm\n CASE ( ID_AOD550 )\n IF ( L1 .EQ. 1 ) THEN\n OUTVAL = ELMO_AOD_550( C1,R1 )\n ELSE\n#ifdef mpas\n OUTVAL = -9.000E36\n#else\n OUTVAL = AMISS3\n#endif\n END IF\n\n ! Retrieve Aerosol Extinction at 550 nm\n CASE ( ID_PMEXT550 )\n OUTVAL = ELMO_EXT_550( C1,R1,L1 )\n\n ! Retrieve Relative Humidity\n CASE ( ID_RH )\n OUTVAL = AIRRH\n\n ! Retrieve Air Temperature\n CASE ( ID_TEMP )\n OUTVAL = AIRTEMP\n \n ! Retrieve 2-meter Temperature\n CASE ( ID_SRFTEMP )\n OUTVAL = SRFTEMP\n\n ! Retrieve Air Pressure\n CASE ( ID_PRES )\n OUTVAL = AIRPRES\n\n ! Retrieve DZ\n CASE ( ID_DZ )\n OUTVAL = DZ\n\n ! Retrieve ZH\n CASE ( ID_ZH )\n OUTVAL = ZH\n\n ! Retrieve Cloud Fraction\n CASE ( ID_CFRAC )\n OUTVAL = CFRAC\n\n ! Retrieve Potential Vorticity\n CASE ( ID_PV )\n OUTVAL = PV\n\n ! Retrieve Air Density x Jacobian/MSFX2\n CASE ( ID_RHOJ )\n OUTVAL = CONC_VEC( RHOJ_LOC ) ! kg m-3\n\n ! Retrieve Air Density\n CASE ( ID_DENS )\n OUTVAL = MET_DATA%DENS( C1,R1,L1 ) ! kg m-3\n\n CASE DEFAULT\n ! For most parameters the ELMO_COEFF structure will\n ! define all of the mappings and coefficients needed for\n ! a particular summation. This can therefore be used in\n ! most cases. Parameters in this category are linear\n ! combinations of CMAQ species. For example, PMF_SO4 = \n ! ASO4I + ASO4J.\n CALL CALC_CONCOUT_AGG( IDG, OUTVAL )\n\n END SELECT \n \n ! Save the fact that this parameter has been calculated\n L_CALC( IUSED ) = .TRUE.\n ELMO_LOCAL( IUSED ) = OUTVAL\n \n\n END SUBROUTINE CALC_ELMO\n \n!-------------------------------------------------------------------------\n SUBROUTINE LOAD_ELMO( C,R,L,CONC,WRITE_STEP, INIT_STEP, INIT_TIME )\n! This subroutine maps the PM diagnostic variables that the user has\n! requested to the entries in the ELMO_DATA table.\n!-------------------------------------------------------------------------\n\n USE AERO_DATA, ONLY: AEROMODE_LNSG, DRY_AERO_DIAM, WET_AERO_DIAM,\n & DRY_AERO_M2, WET_AERO_M2, DRY_AERO_M3, \n & WET_AERO_M3, N_MODE, MOMENT0_CONC, MOMENT2_CONC,\n & MOMENT3_CONC, WET_AERO_DENS, AEROSPC_CONC, DRY_AERO_DENS,\n & AH2O_IDX, AEROSPC, CALC_AERODIST_PARAMS\n USE AEROMET_DATA, ONLY: AIRRH\n\n IMPLICIT NONE\n\n INTEGER, INTENT( IN ) :: C, R, L\n INTEGER IDG, IM, AL, IL, IUSED, IAVRG, IINST\n\n REAL, INTENT( IN ) :: CONC( : )\n\n LOGICAL, INTENT( IN ) :: WRITE_STEP\n LOGICAL, INTENT( IN ) :: INIT_STEP\n LOGICAL, INTENT( IN ) :: INIT_TIME\n\n ! Initalize Local Parameters\n C1 = C\n R1 = R\n L1 = L\n ELMO_LOCAL( : ) = 0.0\n INLET_FRAC(:,:,:) = -1.\n L_CALC = .FALSE.\n CONC_VEC( : ) = CONC( : )\n\n ! Check to make sure the current layer is requested for diagnostic\n ! output.\n IF ( ( L.GE.INST_LAYER_BOT .OR. L.GE.AVRG_LAYER_BOT ) .AND.\n & ( L.LE.INST_LAYER_TOP .OR. L.LE.AVRG_LAYER_TOP ) ) THEN\n \n ! Calculate All Aerosol Size Distribution Parameters\n CALL CALC_AERODIST_PARAMS( INIT_TIME )\n \n ! Loop Through Used Parameters List and Call ELMO Functions \n ! to fill in Local Array. ELMO_LOCAL is the same length as the\n ! ELMO_LIST and is ordered by the ELMO ID numbers so that it\n ! can be used seamlessly with the CALC_ELMO internal order.\n DO IUSED = 1,N_ELMO_OUT\n IM = USED_ELMO_MODE( IUSED ) ! Map to \n IDG = USED_ELMO_ID( IUSED ) ! Map to Parameter ID numbers\n CALL CALC_ELMO( IDG, IM, ELMO_LOCAL( IUSED ) )\n END DO\n\n ! *** Aggregate Diagnostic Parameters in Average Array\n ! using trapezoidal rule\n IF ( AVRG_ACTIVE .AND. \n & L.GE.AVRG_LAYER_BOT .AND. L.LE.AVRG_LAYER_TOP ) THEN\n AL = L - AVRG_LAYER_BOT + 1\n DO IAVRG = 1,N_ELMO_AVRG_OUT\n IF ( USED_ELMO_ID( MAP_AVRG2USED( IAVRG )) .EQ. ID_PMF_PH\n & .AND. ELMO_LOCAL( MAP_AVRG2USED( IAVRG ) ) .LT. -100. ) THEN\n ! Special Averageing for Particle pH\n ! Add whatever the current average is right now.\n ! Certainly this is problematic, particularly\n ! at the beginning of an hour where ELMO_AVRG =\n ! 0. It's best to either use the instantaneous\n ! value or recalculate the average fine particle acidity\n ! offline.\n IF ( INIT_STEP ) THEN\n ELMO_AVRG( C,R,AL,IAVRG ) = 3.5 ! Assume relatively acidic particles\n ELSE IF ( WRITE_STEP ) THEN\n ELMO_AVRG( C,R,AL,IAVRG ) = ELMO_AVRG( C,R,AL,IAVRG ) \n ELSE\n ELMO_AVRG( C,R,AL,IAVRG ) = ELMO_AVRG( C,R,AL,IAVRG ) \n & + 2.0 * ELMO_AVRG( C,R,AL,IAVRG )\n END IF\n ELSE\n ! For all other variables, apply trapezoidal rule for\n ! averaging.\n IF ( INIT_STEP ) THEN\n ELMO_AVRG( C,R,AL,IAVRG ) = ELMO_LOCAL( MAP_AVRG2USED( IAVRG ) ) \n ELSE IF ( WRITE_STEP ) THEN\n ELMO_AVRG( C,R,AL,IAVRG ) = ELMO_AVRG( C,R,AL,IAVRG ) \n & + ELMO_LOCAL( MAP_AVRG2USED( IAVRG ) )\n ELSE\n ELMO_AVRG( C,R,AL,IAVRG ) = ELMO_AVRG( C,R,AL,IAVRG ) \n & + 2.0 * ELMO_LOCAL( MAP_AVRG2USED( IAVRG ) )\n END IF \n END IF\n END DO\n END IF\n \n ! *** Populate Diagnostic Parameters to Instantaneous Array if this is a write step\n IF ( INST_ACTIVE .AND. ( INIT_TIME .OR. WRITE_STEP ) .AND.\n & L.GE.INST_LAYER_BOT .AND. L.LE.INST_LAYER_TOP ) THEN\n IL = L - INST_LAYER_BOT + 1\n DO IINST = 1,N_ELMO_INST_OUT\n ELMO_INST( C,R,IL,IINST ) = ELMO_LOCAL( MAP_INST2USED( IINST ) )\n END DO\n END IF\n \n END IF\n END SUBROUTINE LOAD_ELMO\n\n!-------------------------------------------------------------------------\n SUBROUTINE ELMO_DRIVER( CGRID, JDATE, JTIME, TSTEP, INIT_TIME )\n! This subroutine maps the PM diagnostic variables that the user has\n! requested to the entries in the ELMO_DATA table.\n!-------------------------------------------------------------------------\n\n USE AERO_DATA, ONLY: AEROMODE_LNSG, DRY_AERO_DIAM, WET_AERO_DIAM,\n & DRY_AERO_M2, WET_AERO_M2, DRY_AERO_M3, \n & WET_AERO_M3, N_MODE, MOMENT0_CONC, MOMENT2_CONC,\n & MOMENT3_CONC, WET_AERO_DENS, AEROSPC_CONC,\n & AH2O_IDX, AEROSPC, CALC_AERODIST_PARAMS,\n & Extract_Aero\n USE SOA_DEFN, ONLY : Extract_Soa\n USE AEROSOL_CHEMISTRY, ONLY: HETCHEM_RATES\n USE AEROMET_DATA, ONLY: AIRRH, AIRTEMP, AIRQV, AIRDENS, AIRPRES,\n & SRFTEMP, H2OVP, H2OSATVP, MWWAT, MWAIR,\n & CFRAC, DZ, PV, ZH\n use centralized_io_module, only : interpolate_var, pv_avail\n use RUNTIME_VARS\n Use phot_mod, Only: init_phot_shared \n\n#ifdef sens\n USE DDM3D_DEFN, ONLY : SENGRID\n#endif \n\n IMPLICIT NONE\n\n REAL, POINTER :: CGRID( :,:,:,: ) ! Master concentration grid\n INTEGER, INTENT( IN ) :: JDATE, JTIME ! Date and time inputs to \n ! determine whether to write \n ! concentrations\n INTEGER, INTENT( IN ) :: TSTEP(3)\n LOGICAL, INTENT( IN ) :: INIT_TIME ! Is this the first time step \n ! of the simulation\n LOGICAL :: INIT_STEP ! Is the time step beginning\n\n ! Variable to set time step for writing visibility file\n INTEGER, SAVE :: WSTEP = 0 ! local write counter\n LOGICAL, SAVE :: WRITE_STEP =.FALSE. ! local write flag\n\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n \n ! Statement Function **************\n REAL, PARAMETER :: EPSWATER = MWWAT / MWAIR\n REAL ESATL ! arithmetic statement function for vapor pressure [Pa]\n REAL TT\n ! Coefficients for the equation, ESATL defining saturation vapor pressure\n REAL, PARAMETER :: AL = 610.94\n REAL, PARAMETER :: BL = 17.625\n REAL, PARAMETER :: CL = 243.04\n\n INTEGER C, R, L\n\n REAL, ALLOCATABLE, SAVE :: PRES(:,:,:), TA(:,:,:), TEMP2(:,:),\n & QV(:,:,:), DENS(:,:,:), CFRACS(:,:),\n & ZF(:,:,:), PVS(:,:,:), ZHS(:,:,:)\n\n ! values of AL, BL, and CL are from:\n ! Alduchov and Eskridge, \"Improved Magnus Form Approximations of\n ! Saturation Vapor Pressure,\"\n ! Jour. of Applied Meteorology, vol. 35,\n ! pp 601-609, April, 1996.\n ESATL( TT ) = AL * EXP( BL * ( TT - 273.15 ) / ( TT - 273.15 + CL ) )\n \n\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n ! Initialize Number of Steps Used for Calculating Average\n ELMO_NSTEP = 0.\n\n ALLOCATE( PRES( NCOLS, NROWS, NLAYS),\n & TA( NCOLS, NROWS, NLAYS ),\n & QV( NCOLS, NROWS, NLAYS ),\n & DENS( NCOLS, NROWS, NLAYS ),\n & CFRACS( NCOLS, NROWS ),\n & ZF( NCOLS, NROWS, NLAYS ),\n & ZHS( NCOLS, NROWS, NLAYS ),\n & PVS( NCOLS, NROWS, NLAYS ),\n & TEMP2( NCOLS, NROWS ) )\n END IF\n\n ! Determine if this is a write step\n WRITE_STEP = .FALSE.\n INIT_STEP = .FALSE.\n IF ( ELMO_NSTEP .LT. 1.0 ) THEN\n WSTEP = 0\n INIT_STEP = .TRUE.\n ELSE\n WSTEP = WSTEP + TIME2SEC( TSTEP( 2 ) )\n IF ( WSTEP .GE. TIME2SEC( TSTEP( 1 ) ) )\n & WRITE_STEP = .TRUE.\n END IF\n ELMO_NSTEP = ELMO_NSTEP + 1.0\n\n ! Get Meteorological Variables\n\n ! pressure [Pa]\n call interpolate_var ('PRES', jdate, jtime, PRES)\n\n ! temperature [K]\n call interpolate_var ('TA', jdate, jtime, TA) ! Grid Cell Temp\n call interpolate_var ('TEMP2',jdate, jtime, TEMP2 ) ! 2-m Temp\n\n ! specific humidity [g H2O/g air]\n call interpolate_var ('QV', jdate, jtime, QV)\n\n ! air density [kg/m3]\n call interpolate_var ('DENS', jdate, jtime, DENS)\n \n ! get cloud fraction if photolysis hasn not been called yet\n call interpolate_var ('CFRAC', jdate, jtime, CFRACS)\n\n ! retrieve all layer heights. This is the height of the top of the\n ! layers\n call interpolate_var ('ZF', jdate, jtime, ZF)\n \n ! retrieve potential vorticity\n if ( pv_avail ) then\n call interpolate_var ('PV', jdate, jtime, PVS)\n else\n#ifdef mpas\n PVS = -9.000E36\n#else\n PVS = AMISS3\n#endif\n end if\n \n ! retrieve layer midpoint heights. This is a mass weighted\n ! coordinate so is not necessarily consistent with the distance \n ! between the heights of the layer bottom and top.\n call interpolate_var ('ZH', jdate, jtime, ZHS)\n\n ! Calculate Heterogeneous Chemistry Rates\n CALL INIT_PHOT_SHARED()\n CALL HETCHEM_RATES( TA, PRES, QV, CGRID, DENS )\n\n ! Process PM Diagnostics for Base Model\n DO C = 1,NCOLS\n DO R = 1,NROWS\n DO L = 1,NLAYS\n ! Grid cell meteorological data.\n AIRTEMP = TA ( C,R,L )\n SRFTEMP = TEMP2( C,R ) ! 2-meter temperature (K)\n AIRPRES = PRES ( C,R,L ) ! Note pascals\n AIRQV = QV ( C,R,L )\n AIRDENS = DENS ( C,R,L )\n H2OSATVP = ESATL( AIRTEMP )\n H2OVP = AIRPRES * AIRQV / ( EPSWATER + AIRQV )\n AIRRH = MAX( 0.005, MIN( 0.99, H2OVP / H2OSATVP ) ) ! 0-1\n IF ( L .EQ. 1 ) THEN\n DZ = ZF( C,R,L )\n CFRAC= CFRACS( C,R ) \n ELSE\n DZ = ZF( C,R,L ) - ZF( C,R,L-1 )\n#ifdef mpas\n CFRAC = -9.000E36\n#else\n CFRAC = AMISS3\n#endif\n END IF\n ZH = ZHS( C,R,L )\n PV = PVS( C,R,L )\n \n ! Extract Aerosols\n#ifdef sens\n CALL EXTRACT_AERO( CGRID( C,R,L,: ), .TRUE., SENGRID( C,R,L,:,: ), .TRUE. )\n CALL EXTRACT_SOA( CGRID( C,R,L,: ), SENGRID( C,R,L,:,: ), .TRUE. )\n#else\n CALL EXTRACT_AERO( CGRID( C,R,L,: ), .TRUE. )\n CALL EXTRACT_SOA( CGRID( C,R,L,: ) )\n#endif \n ! Populate Diagnostic Arrays\n CALL LOAD_ELMO( C,R,L, CGRID(C,R,L,:), WRITE_STEP, INIT_STEP, INIT_TIME )\n\n END DO\n END DO\n END DO\n\n END SUBROUTINE ELMO_DRIVER\n\n!-------------------------------------------------------------------------\n SUBROUTINE OPEN_ELMO ( JDATE, JTIME, TSTEP )\n! Revision history\n! ??? Frank Binkowski\n! 8 Sep 01 J.Young: dyn alloc - Use HGRD_DEFN\n! 03 Sep 01 David Wong: for new pario\n! 13 May 04 P.Bhave: added RH to species list; removed M0 and dry M2\n! conc's from species list\n! 31 Jan 05 J.Young: dyn alloc - establish both horizontal & vertical\n! domain specifications in one module\n! 18 Jul 05 P.Bhave: Added mass fractions of each mode < 2.5um to output list\n! 06 Apr 06 P.Bhave: Added GAMMA_N2O5 to output list\n! 25 May 06 P.Bhave: Changed units of all DG variables from m to um, as \n! suggested by Dr. Bill Hutzell\n! 11 Apr 08 J.Kelly: Added STDEVCOR and variables to account for dry & wet\n! DGCOR, M2COR_WET, and M3COR_DRY\n! 16 Feb 11 S.Roselle: replaced I/O API include files with UTILIO_DEFN\n! 26 Sep 14 H. Pye: Added GAMMA_IEPOX and replaced blank units with na\n! 11 May 16 D. Wong: - Modified the code to retreive ELMO information from\n! construct ELMO_SPC_RECORD stored in module cgrid_spcs\n! to provide flexibility to handle AE6 and AE61\n! - renamed the procedure name from OPDIAM to OPELMO\n!-------------------------------------------------------------------------\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n\n IMPLICIT NONE\n\n INCLUDE SUBST_FILES_ID ! file name parameters\n\n !...Arguments:\n\n INTEGER, INTENT( IN ) :: JDATE ! current model date, coded YYYYDDD\n INTEGER, INTENT( IN ) :: JTIME ! current model time, coded HHMMSS\n INTEGER, INTENT( IN ) :: TSTEP ! output time step\n\n !...Local variables:\n\n CHARACTER( 16 ), SAVE :: PNAME = 'OPEN_ELMO'\n CHARACTER( 96 ) :: XMSG = ' '\n\n INTEGER :: L ! loop induction variables\n INTEGER :: MDATE, MTIME\n#ifndef mpas\n ! Define General Output File Parameters\n FTYPE3D = GRDDED3\n GDNAM3D = GRID_NAME ! from HGRD_DEFN\n TSTEP3D = TSTEP\n NCOLS3D = GL_NCOLS\n NROWS3D = GL_NROWS\n GDTYP3D = GDTYP_GD\n P_ALP3D = P_ALP_GD\n P_BET3D = P_BET_GD \n P_GAM3D = P_GAM_GD\n XORIG3D = XORIG_GD\n YORIG3D = YORIG_GD\n XCENT3D = XCENT_GD\n YCENT3D = YCENT_GD\n XCELL3D = XCELL_GD\n YCELL3D = YCELL_GD\n VGTYP3D = VGTYP_GD\n VGTOP3D = VGTOP_GD\n NTHIK3D = 1\n\n#endif\n ! Open Instantaneous PM Diagnostic File\n IF ( INST_ACTIVE ) THEN\n \n#ifndef mpas\n ! Try to open existing file for update\n IF ( .NOT. OPEN3( CTM_ELMO_1, FSRDWR3, PNAME ) ) THEN\n\n ! Set output file characteristics based on COORD.EXT and open the aerosol\n ! diagnostic file\n SDATE3D = JDATE\n STIME3D = JTIME\n !CALL NEXTIME ( SDATE3D, STIME3D, TSTEP3D ) ! start the next hour\n \n NLAYS3D = INST_LAYER_TOP - INST_LAYER_BOT + 1\n DO L = INST_LAYER_BOT, INST_LAYER_TOP + 1\n VGLVS3D( L ) = VGLVS_GD( L )\n END DO\n \n NVARS3D = N_ELMO_INST_OUT \n VTYPE3D(1:NVARS3D) = INST_TYPE_OUT( 1:NVARS3D )\n VNAME3D(1:NVARS3D) = INST_PARS_OUT( 1:NVARS3D )\n UNITS3D(1:NVARS3D) = INST_UNIT_OUT( 1:NVARS3D )\n VDESC3D(1:NVARS3D) = INST_DESC_OUT( 1:NVARS3D )\n \n FDESC3D( 1 ) = 'Parameters Relevant for PM Formation and Distribution'\n DO L = 2, MXDESC3\n FDESC3D( L ) = ' '\n END DO\n \n ! Open the Instantaneous aerosol diagnostic file\n IF ( .NOT. OPEN3( CTM_ELMO_1, FSNEW3, PNAME ) ) THEN\n XMSG = 'Could not create '// CTM_ELMO_1 // ' file'\n CALL M3EXIT ( PNAME, SDATE3D, STIME3D, XMSG, XSTAT1 )\n END IF\n\n END IF\n#endif\n END IF\n \n\n ! Open Average Output PM Diagnostic File\n IF ( AVRG_ACTIVE ) THEN\n \n#ifndef mpas\n ! Try to open existing file for update\n IF ( .NOT. OPEN3( CTM_AELMO_1, FSRDWR3, PNAME ) ) THEN\n\n ! Get end time information from environment variable AVG_FILE_ENDTIME\n MDATE = JDATE; MTIME = JTIME\n IF ( END_TIME ) CALL NEXTIME ( MDATE, MTIME, TSTEP )\n\n ! Set output file characteristics based on COORD.EXT and open the aerosol\n ! diagnostic file\n SDATE3D = MDATE\n STIME3D = MTIME\n \n NLAYS3D = AVRG_LAYER_TOP - AVRG_LAYER_BOT + 1\n DO L = AVRG_LAYER_BOT, AVRG_LAYER_TOP + 1\n VGLVS3D( L ) = VGLVS_GD( L )\n END DO\n \n NVARS3D = N_ELMO_AVRG_OUT \n VTYPE3D(1:NVARS3D) = AVRG_TYPE_OUT( 1:NVARS3D )\n VNAME3D(1:NVARS3D) = AVRG_PARS_OUT( 1:NVARS3D )\n UNITS3D(1:NVARS3D) = AVRG_UNIT_OUT( 1:NVARS3D )\n VDESC3D(1:NVARS3D) = AVRG_DESC_OUT( 1:NVARS3D )\n \n FDESC3D( 1 ) = 'Parameters Relevant for PM Formation and Distribution'\n DO L = 2, MXDESC3\n FDESC3D( L ) = ' '\n END DO\n \n ! Open the Instantaneous aerosol diagnostic file\n IF ( .NOT. OPEN3( CTM_AELMO_1, FSNEW3, PNAME ) ) THEN\n XMSG = 'Could not create '// CTM_AELMO_1 // ' file'\n CALL M3EXIT ( PNAME, SDATE3D, STIME3D, XMSG, XSTAT1 )\n END IF\n \n END IF\n#endif\n END IF\n \n END SUBROUTINE OPEN_ELMO \n\n!-------------------------------------------------------------------------\n SUBROUTINE WRITE_ELMO ( JDATE, JTIME, TSTEP, INIT_TIME )\n! Revision history\n! 20 Feb - B. Murphy: Created\n!-------------------------------------------------------------------------\n\n USE RUNTIME_VARS\n\n IMPLICIT NONE \n\n INCLUDE SUBST_FILES_ID\n\n INTEGER, INTENT( IN ) :: JDATE, JTIME, TSTEP(3)\n LOGICAL, INTENT( IN ) :: INIT_TIME\n INTEGER MDATE, MTIME\n CHARACTER( 300 ) XMSG\n\n CHARACTER( 16 ), SAVE :: PNAME = 'WRITE_ELMO'\n\nC *** If IO Proceesor, then Write Data\n MDATE = JDATE\n MTIME = JTIME\n\nC *** Write data to the scalar output file.\n IF ( INST_ACTIVE ) THEN\n#ifndef mpas\n IF ( .NOT. WRITE3( CTM_ELMO_1, \n & ALLVAR3, MDATE, MTIME,\n & ELMO_INST(:,:,:,:) ) ) THEN\n XMSG = 'Could not write ' // CTM_ELMO_1 // ' file'\n CALL M3EXIT ( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n\n WRITE( LOGDEV, '( /5X, 3( A, :, 1X ), I8, \":\", I6.6 )' )\n & 'Timestep written to', CTM_ELMO_1,\n & 'for date and time', MDATE, MTIME\n\n#endif\n END IF\n \nC *** Write data to the average aerosol diagnostic file.\n IF ( .NOT.INIT_TIME ) THEN\n#ifndef mpas\n IF ( AVRG_ACTIVE ) THEN\n IF ( .NOT. END_TIME ) THEN ! ending time timestamp\n CALL NEXTIME ( MDATE, MTIME, -TSTEP(1) )\n END IF\n \n IF ( .NOT. WRITE3( CTM_AELMO_1, \n & ALLVAR3, MDATE, MTIME, \n & ELMO_AVRG(:,:,:,:) / 2.0 / \n & (ELMO_NSTEP-1.0) ) ) THEN\n XMSG = 'Could not write ' // CTM_AELMO_1 // ' file'\n CALL M3EXIT ( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n \n WRITE( LOGDEV, '( /5X, 3( A, :, 1X ), I8, \":\", I6.6 )' )\n & 'Timestep written to', CTM_AELMO_1,\n & 'for date and time', MDATE, MTIME\n \n \n END IF\n#endif\n ELMO_NSTEP = 0.\n END IF\n RETURN \n\n END SUBROUTINE WRITE_ELMO\n\n END MODULE ELMO_PROC\n" }, { "path": "CCTM/src/driver/STD_CONC.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n MODULE STD_CONC\n\n IMPLICIT NONE\n\nC Function: species, layer pointers and definitions for standard CONC\nC calculations\nC Revision: J.Young 13Sep2011: Increase size of CONC_FILE_SPCS dimension -\nC previous revision used dynamic allocation, but GET_ENV_LIST\nC was called with the CONC_FILE_SPCS argument before it was allocated\nC D.Wong 11 May 2016: Modified code to provide flexibility to handle\nC environment variable CONC_FILE_SPCS is set to 'ALL' or not set.\nC F.Sidi 09 Sep 2019: Replaced L_CONC_WVEL & L_ACONC_WVEL (depreciated) with W_VEL &\nC added W_VEL to species conc_species list depending on\nC if the user requests the vertical velocity to be output\nC\nC\nC\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n\n INTEGER, SAVE :: N_CSPCS = 0 ! Number of chemical species saved to conc file\n INTEGER, SAVE :: C_NLAYS = 1 ! Number of layers saved to conc file\n\n INTEGER, SAVE, ALLOCATABLE :: CONC_MAP( : ) ! pointer into CGRID\n CHARACTER( 16 ), SAVE, ALLOCATABLE :: C_GC_SPC( : ) ! pointer into GC_SPC\n CHARACTER( 16 ), SAVE, ALLOCATABLE :: C_AE_SPC( : ) ! pointer into AE_SPC\n CHARACTER( 16 ), SAVE, ALLOCATABLE :: C_NR_SPC( : ) ! pointer into NR_SPC\n CHARACTER( 16 ), SAVE, ALLOCATABLE :: C_TR_SPC( : ) ! pointer into TR_SPC\n\n REAL, SAVE, ALLOCATABLE :: SGRID( :,:,:,: ) ! conc subset\n\nC species classes configuration for CONC \n INTEGER, SAVE :: C_GC_STRT\n INTEGER, SAVE :: N_C_GC_SPC\n INTEGER, SAVE :: C_AE_STRT\n INTEGER, SAVE :: N_C_AE_SPC\n INTEGER, SAVE :: C_NR_STRT\n INTEGER, SAVE :: N_C_NR_SPC\n INTEGER, SAVE :: C_TR_STRT\n INTEGER, SAVE :: N_C_TR_SPC\n\n INTEGER, SAVE :: N_C_AE_SPCD\n\nC Logical to test whether met variables are included\n LOGICAL, SAVE :: L_CONC_RH = .FALSE.\n LOGICAL, SAVE :: L_CONC_TA = .FALSE.\n LOGICAL, SAVE :: L_CONC_PRES = .FALSE.\n\n CONTAINS\n\n SUBROUTINE CONC_DEFN ()\n\n USE RUNTIME_VARS\n USE HGRD_DEFN ! horizontal domain specifications\n USE VGRD_DEFN ! vertical layer specifications\n USE CGRID_SPCS ! CGRID mechanism species\n USE UTILIO_DEFN\n\n CHARACTER( 16 ) :: PNAME = 'CONC_DEFN'\n CHARACTER( 96 ) :: XMSG = ' '\n\n INTEGER OFF, VAR, V, NV, LVL\n INTEGER ALLOCSTAT, STATUS\n INTEGER :: JDATE = 0\n INTEGER :: JTIME = 0\n\n INTEGER, ALLOCATABLE :: GC_MAP( : )\n INTEGER, ALLOCATABLE :: AE_MAP( : )\n INTEGER, ALLOCATABLE :: NR_MAP( : )\n INTEGER, ALLOCATABLE :: TR_MAP( : )\n\nC-----------------------------------------------------------------------\n\nC Retrieve the species saved to the concentration file\n\n IF ( N_CONC_VARS .EQ. 0 .OR. CONC_FILE_SPCS( 1 ) .EQ. 'ALL' ) THEN\n V = 0\n DO VAR = 1, N_GC_CONC\n V = V + 1\n CONC_FILE_SPCS( V ) = GC_CONC( VAR )\n END DO\n DO VAR = 1, N_AE_CONC\n V = V + 1\n CONC_FILE_SPCS( V ) = AE_CONC( VAR )\n END DO\n DO VAR = 1, N_NR_CONC\n V = V + 1\n CONC_FILE_SPCS( V ) = NR_CONC( VAR )\n END DO\n DO VAR = 1, N_TR_SPC\n V = V + 1\n CONC_FILE_SPCS( V ) = TR_SPC( VAR )\n END DO\n CONC_FILE_SPCS( V + 1 ) = 'RH'\n CONC_FILE_SPCS( V + 2 ) = 'TA'\n CONC_FILE_SPCS( V + 3 ) = 'PRES'\n N_CONC_VARS = V + 3 \n END IF\n\nC Retrieve CTM_WVEL environmental variable to see if user wants diagnosed vertical velocity\n IF ( W_VEL ) THEN\n CONC_FILE_SPCS( N_CONC_VARS + 1 ) = 'WVEL'\n N_CONC_VARS = N_CONC_VARS + 1\n END IF\n\nC Retrieve the layer range used in the concentration file\n IF ( CONC_ELEV .EQ. -1 ) CONC_ELEV = NLAYS\n\n IF ( CONC_BLEV .LE. 0 .OR. CONC_ELEV .GT. NLAYS ) THEN\n WRITE( XMSG,'( \"Layer range\", 2I4, \" invalid for this model\" )' )\n & CONC_BLEV, CONC_ELEV\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT3 )\n END IF\n IF ( CONC_BLEV .NE. 1 ) THEN\n WRITE( XMSG,'( \"Layer\", I3, \" Not 1st layer in CGRID\" )' )\n & CONC_BLEV\n CALL M3WARN( PNAME, JDATE, JTIME, XMSG )\n END IF\n\n C_NLAYS = CONC_ELEV - CONC_BLEV + 1\n\nC Create conc subset array\n\n ALLOCATE ( SGRID( NCOLS,NROWS,C_NLAYS,N_CONC_VARS ),\n & STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'SGRID memory allocation failed'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n SGRID = 0.0\n\nC Check species names against include files and create CONC_MAP, and\nC get starting index in CGRID and total count for each species class\n\n ALLOCATE ( C_GC_SPC( N_CONC_VARS ),\n & C_AE_SPC( N_CONC_VARS ),\n & C_NR_SPC( N_CONC_VARS ),\n & C_TR_SPC( N_CONC_VARS ),\n & GC_MAP( N_CONC_VARS ),\n & AE_MAP( N_CONC_VARS ),\n & NR_MAP( N_CONC_VARS ),\n & TR_MAP( N_CONC_VARS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'CONC species mapping memory allocation failed'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT3 )\n END IF\n\n N_C_GC_SPC = 0\n N_C_AE_SPC = 0\n N_C_NR_SPC = 0\n N_C_TR_SPC = 0\n\n DO VAR = 1, N_CONC_VARS\n V = INDEX1 ( CONC_FILE_SPCS( VAR ), N_GC_SPC, GC_SPC )\n IF ( V .GT. 0 ) THEN\n N_CSPCS = N_CSPCS + 1\n N_C_GC_SPC = N_C_GC_SPC + 1\n C_GC_SPC( N_C_GC_SPC ) = CONC_FILE_SPCS( VAR )\n OFF = 0\n GC_MAP( N_C_GC_SPC ) = V + OFF\n ELSE\n V = INDEX1 ( CONC_FILE_SPCS( VAR ), N_AE_SPC, AE_SPC )\n IF ( V .GT. 0 ) THEN\n N_CSPCS = N_CSPCS + 1\n N_C_AE_SPC = N_C_AE_SPC + 1\n OFF = N_GC_SPC + 1 ! accounts for advected density\n C_AE_SPC( N_C_AE_SPC ) = CONC_FILE_SPCS( VAR )\n AE_MAP( N_C_AE_SPC ) = V + OFF\n ELSE\n V = INDEX1 ( CONC_FILE_SPCS( VAR ), N_NR_SPC, NR_SPC )\n IF ( V .GT. 0 ) THEN\n N_CSPCS = N_CSPCS + 1\n N_C_NR_SPC = N_C_NR_SPC + 1\n OFF = N_GC_SPC + 1 + N_AE_SPC\n C_NR_SPC( N_C_NR_SPC ) = CONC_FILE_SPCS( VAR )\n NR_MAP( N_C_NR_SPC ) = V + OFF\n ELSE\n V = INDEX1 ( CONC_FILE_SPCS( VAR ), N_TR_SPC, TR_SPC )\n IF ( V .GT. 0 ) THEN\n N_CSPCS = N_CSPCS + 1\n N_C_TR_SPC = N_C_TR_SPC + 1\n OFF = N_GC_SPC + 1 + N_AE_SPC + N_NR_SPC\n C_TR_SPC( N_C_TR_SPC ) = CONC_FILE_SPCS( VAR )\n TR_MAP( N_C_TR_SPC ) = V + OFF\n ELSE IF ( CONC_FILE_SPCS( VAR ) .EQ. 'RH' ) THEN\n L_CONC_RH = .TRUE.\n ELSE IF ( CONC_FILE_SPCS( VAR ) .EQ. 'TA' ) THEN\n L_CONC_TA = .TRUE.\n ELSE IF ( CONC_FILE_SPCS( VAR ) .EQ. 'PRES' ) THEN\n L_CONC_PRES = .TRUE.\n ELSE IF ( CONC_FILE_SPCS( VAR ) .NE. 'WVEL' ) THEN\n XMSG = 'Variable ' // CONC_FILE_SPCS( VAR )\n & // ' incorrect for this model'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT3 )\n END IF\n END IF\n END IF\n END IF\n END DO\n\n C_GC_STRT = 1\n C_AE_STRT = C_GC_STRT + N_C_GC_SPC\n C_NR_STRT = C_AE_STRT + N_C_AE_SPC\n C_TR_STRT = C_NR_STRT + N_C_NR_SPC\n\n IF ( N_C_AE_SPC .GT. 0 ) THEN\n N_C_AE_SPCD = N_C_AE_SPC\n ELSE\n N_C_AE_SPCD = 1\n END IF\n\n ! Populate CONC species maps\n ALLOCATE ( CONC_MAP( N_CSPCS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'CONC_MAP memory allocation failed'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT3 )\n END IF\n\n VAR = 0\n DO V = 1, N_C_GC_SPC\n VAR = VAR + 1\n CONC_MAP( VAR ) = GC_MAP( V )\n END DO\n\n DO V = 1, N_C_AE_SPC\n VAR = VAR + 1\n CONC_MAP( VAR ) = AE_MAP( V )\n END DO\n\n DO V = 1, N_C_NR_SPC\n VAR = VAR + 1\n CONC_MAP( VAR ) = NR_MAP( V )\n END DO\n\n DO V = 1, N_C_TR_SPC\n VAR = VAR + 1\n CONC_MAP( VAR ) = TR_MAP( V )\n END DO\n\n ! Deallocate Arrays if Possible\n IF ( N_C_GC_SPC .EQ. 0 ) DEALLOCATE ( C_GC_SPC )\n IF ( N_C_AE_SPC .EQ. 0 ) DEALLOCATE ( C_AE_SPC )\n IF ( N_C_NR_SPC .EQ. 0 ) DEALLOCATE ( C_NR_SPC )\n IF ( N_C_TR_SPC .EQ. 0 ) DEALLOCATE ( C_TR_SPC )\n\n END SUBROUTINE CONC_DEFN\n\n END MODULE STD_CONC\n" }, { "path": "CCTM/src/driver/WVEL_DEFN.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n MODULE WVEL_DEFN\n\nC Function: capture the derived vertical velocity component to write to the\nC conc file\nC\nC Revision history:\nC 1 Feb 19 David Wong: Implemented centralized I/O approach, removed\nC all MY_N clauses\nC 6 Sep 19 F. Sidi : Removed USE STD_CONC and USE AVG_CONC statements\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n IMPLICIT NONE\n\n REAL, ALLOCATABLE, SAVE :: WVEL( :,:,: )\n REAL, ALLOCATABLE, SAVE :: WY( :,:,: ) ! Diagnosed vert vel ala yamo\n\n CONTAINS\n\n FUNCTION WVEL_INIT () RESULT ( SUCCESS )\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE UTILIO_DEFN\n\n LOGICAL SUCCESS\n\n CHARACTER( 16 ) :: PNAME = 'WVEL_INIT'\n CHARACTER( 16 ) :: CTM_WVEL = 'CTM_WVEL'\n CHARACTER( 96 ) :: XMSG = ' '\n\n INTEGER ALLOCSTAT, IERR\n INTEGER :: JDATE = 0, JTIME = 0\n\nC-----------------------------------------------------------------------\n\n SUCCESS = .TRUE.\n\n IF ( W_VEL ) THEN\n\n ALLOCATE ( WVEL( NCOLS,NROWS,NLAYS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'WVEL memory allocation failed'\n CALL M3WARN( PNAME, JDATE, JTIME, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\n WVEL = 0.0\n\n END IF\n\n END FUNCTION WVEL_INIT\n\nC-----------------------------------------------------------------------\n\n SUBROUTINE GET_WVEL( JDATE, JTIME )\n\n USE GRID_CONF\n USE UTILIO_DEFN\n Use CENTRALIZED_IO_MODULE, only : MSFX2, JACOBF_AVAIL, interpolate_var\n\n include SUBST_FILES_ID\n\n INTEGER JDATE ! current model date, coded YYYYDDD\n INTEGER JTIME ! current model time, coded HHMMSS \n \n INTEGER MTIME, MDATE, LVL\n LOGICAL, SAVE :: FIRST_TIME = .TRUE.\n\n INTEGER ALLOCSTAT\n CHARACTER( 16 ) :: PNAME = 'GET_WVEL'\n CHARACTER( 200 ) :: XMSG\n REAL, ALLOCATABLE, SAVE :: DBUFF ( :,:,: ) ! input for W_VEL\n REAL, ALLOCATABLE, SAVE :: JACF ( :,:,: ) ! full-layer Jacobian\n \n IF ( FIRST_TIME ) THEN\n FIRST_TIME = .FALSE.\n\n ALLOCATE ( JACF( NCOLS,NROWS,NLAYS ), STAT = ALLOCSTAT )\n\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating JACF'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n ALLOCATE( WY( NLAYS,NCOLS,NROWS ) )\n WY = 0.0\n END IF\n \n#ifdef mpas\n WVEL = 0.0\n#else\n IF (JACOBF_AVAIL) THEN \n ! Time-Dependent Part of Vertical Velocity Retrieval\n call interpolate_var ('JACOBF', jdate, jtime, JACF)\n ELSE\n IF ( .NOT. ALLOCATED( DBUFF ) ) THEN\n ALLOCATE ( DBUFF( NCOLS,NROWS,NLAYS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating DBUFF'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END IF\n\n call interpolate_var ('JACOBM', jdate, jtime, DBUFF)\n\n JACF( :,:,1:NLAYS-1 ) = 0.5 * ( DBUFF( :,:,1:NLAYS-1 ) \n & + DBUFF( :,:,2:NLAYS ) )\n JACF( :,:,NLAYS ) = 0.4 * JACF( :,:,NLAYS-1 )\n & + DBUFF( :,:,NLAYS )\n END IF\n\n ! convert from contravariant vertical velocity component to true wind\n DO LVL = 1, NLAYS\n WVEL( :,:,LVL ) = JACF( :,:,LVL )\n & * MSFX2( :,: ) * WY( LVL,:,: )\n END DO \n#endif\n\n END SUBROUTINE GET_WVEL \n\n END MODULE WVEL_DEFN\n" }, { "path": "CCTM/src/driver/advstep.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE ADVSTEP( JDATE, JTIME, TSTEP, ASTEP, NREPS )\n\nC-----------------------------------------------------------------------\nC Function:\nC Use Courant-number conditions to determine the (time-splitting) model\nC base synchronization time step TSTEP(2) and number NREPS of sync time\nC steps per output time step TSTEP(1). The base synchronization time step\nC is considered to be the Courant condition safe advection time step.\nC Minimum returned sync time step = 900 sec\nC Determines a Courant condition safe advection step in TSTEP(3) with\nC respect to a user-defined minimum sync time step [TSTEP(2)].\n\nC June 2003 J.Young\nC Restructure to produce layer dependent advection step\nC change arguments:\nC TSTEP( 1 ) = output timestep (same) - input\nC TSTEP( 2 ) = synchronization timestep (same) - output\nC eliminate TSTEP( 3 ). Add new argument ASTEP( NLAYS ) - output\n\nC Preconditions:\n\nC Subroutines and functions called:\nC SEC2TIME, TIME2SEC, DESC3, M3EXIT, HVELOC\n\nC Revision history:\nC prototype 2/93 by CJC\nC configuration management prototype 6/94 by Dongming Hwang\n\nC Apr 15, 1996 by M. Talat Odman at NCSC: the number of model time\nC steps is made even to assure symmetry of transport operators within\nC each output time step.\n\nC Jan 20, 1996 by M. Talat Odman at NCSC: now applies the CFL condition\nC independently in all three contravariant directions and\nC finds minimum time step.\n\nC 22 Apr 97 Jeff: only for horizontal advection\nC keep Talat's even step mod for symmetric sciproc\nC 2 Sep 97 Jeff: calc. separate sync and adv time steps, TSTEP(3)\nC 12 Feb 98 Jeff: make sync step = chem step\nC 27 Jun 98 Jeff: allow for constant vel field (time-independent file)\n\nC 2 October, 1998 by Al Bourgeois at LM: parallel implementation\nC\nC 8 Jan 99 by David Wong at LM: GLOBAL_MAX function call is added\nC\nC 1/19/99 David Wong\nC -- add a loop_index call\nC -- change loop index ending point to avoid accessing invalid region.\nC (reason to do this is to prevent using boundary data from PINTERP,\nC which sets pseudo-boundary data to 0)\nC\nC 9 Jun 99 by David Wong at LM: change GLOBAL_MAX to GLOBAL_RMAX\nC 21 Nov 00 J.Young: GLOBAL_RMAX -> Dave Wong's f90 stenex GLOBAL_MAX\nC Jeff - Feb 01 - module LOCALFILE to set CCTM IOAPI file defn's\nC - assumed shape arrays\nC 30 Mar 01 J.Young: Use HGRD_DEFN; replace INTERP3 with INTERPX\nC 9 Sep 03 J.Young: return layer dependent advection tstep, ASTEP\nC 27 Aug 03 J.Young: symmetric processing is now deprecated\nC 31 Jan 05 J.Young: dyn alloc - establish both horizontal & vertical\nC domain specifications in one module\nC 26 Jul 06 J.Young: add WRF sigma VGTYP\nC 27 Apr 07 J.Young: Using Peter Percell's (UH) two timestep max wind\nC 20 Jan 09 J.Young: In addition to the CFL criterion, use horizontal divergence\nC to establish safe advection time step\nC 28 Oct 09 J.Young: Revert back from Percell's algorithm to Talat's fix for\nC multiple adv steps per sync step\nC 16 Mar 10 J.Young: Fix hdiv bug for MPI by communicating ghost cell data using\nC new hveloc to add hdiv and replace hcontvel\nC 16 Feb 11 S.Roselle: replaced I/O API include files with UTILIO_DEFN\nC 10 May 11 D.Wong: incorporated twoway model implementation\nC 6 Apr 12 J.Young: changed default HDIV_LIM to 0.9; made CFL an env var\nC 1 Nov 18 David Wong: removed MY_N clause for NCOLS and NROWS\nC 1 Feb 19 David Wong: Implemented centralized I/O approach, removed all MY_N\nC clauses\nC 20 Nov 19 F. Sidi: Updated MET STIME, SDATE, TSTEP, XCELL, YCELL to correspond\nC to updates in Centralized I/O \nC 10 Feb 20 D. Wong: Updated sync step calculation to include input \nC meterology temporal frequency, to allow running with\nC finer temporal scale.\nC-----------------------------------------------------------------------\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE UTILIO_DEFN\n#ifdef parallel\n USE SE_MODULES ! stenex (using SE_GLOBAL_MAX_MODULE, SE_UTIL_MODULE)\n#else\n USE NOOP_MODULES ! stenex (using NOOP_GLOBAL_MAX_MODULE, NOOP_UTIL_MODULE)\n#endif\n USE centralized_io_module\n\n IMPLICIT NONE\n\nC Includes:\n INCLUDE SUBST_CONST ! constants\n INCLUDE SUBST_FILES_ID ! file name parameters\n\nC Arguments:\n INTEGER, INTENT( IN ) :: JDATE ! current model simulation date (YYYYDDD)\n INTEGER, INTENT( IN ) :: JTIME ! current model simulation time (HHMMSS)\n INTEGER, INTENT( INOUT ) :: TSTEP( 3 ) ! time step vector (HHMMSS)\n ! TSTEP( 1 ) = local output step - INTENT( IN )\n ! TSTEP( 2 ) = sciproc sync. step (chem) - INTENT( OUT )\n ! TSTEP( 3 ) = twoway model time step w.r.t. wrf time\n ! step and wrf/cmaq call frequency\n INTEGER, INTENT( OUT ) :: ASTEP( : ) ! layer advection sub-steps per sync step\n ! (HHMMSS)\n INTEGER, INTENT( OUT ) :: NREPS ! no. of sync steps per output step\n\nC Parameters:\n\nC External Functions:\n\nC Local Variables:\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n\n INTEGER, SAVE :: ADVLAYR ! adv=sync at least up to this level\n\n INTEGER, SAVE :: WSTEP = 0 ! wind file interpolation time step\n INTEGER, SAVE :: SDATE, STIME ! wind file start date and time\n INTEGER, SAVE :: FDATE, FTIME ! wind file current date and time\n INTEGER, SAVE :: FSTEP ! wind file time step\n INTEGER, SAVE :: OSTEP ! output time step (sec)\n\n REAL, SAVE :: IDX1, IDX2 ! 1/dx1, 1/dx2\n\n INTEGER :: MINSECS ! effective MINSYNC (sec) that divides TSTEP(1)\n \n INTEGER :: C, R, L, K ! loop counters\n INTEGER :: EDATE, ETIME\n INTEGER :: SYNC, SUB, REP ! loop variables\n INTEGER :: ADV, TADV ! test sub adv step\n INTEGER :: NADVS( NLAYS ) ! no. of advection sub-steps per sync step\n REAL :: RSYNC\n REAL :: MXUOVDX ! max ( WIND / DS ) all layers 1, ADVLAYR\n LOGICAL :: ADJFLG\n\n REAL :: UWIND( NCOLS+1,NROWS+1,NLAYS )\n REAL :: VWIND( NCOLS+1,NROWS+1,NLAYS )\n REAL :: HDIV( NCOLS,NROWS,NLAYS )\n ! MAX ( WIND / DS ) ...\n REAL, ALLOCATABLE, SAVE :: WIND_IDX_BEG( : ) ! at beginning of output step\n REAL, ALLOCATABLE, SAVE :: WIND_IDX_END( : ) ! at end of output step\n REAL, ALLOCATABLE, SAVE :: WIND_IDX ( : ) ! for whole output step\n REAL, ALLOCATABLE, SAVE :: MX_HDIV_BEG( : ) ! at beginning of output step\n REAL, ALLOCATABLE, SAVE :: MX_HDIV_END( : ) ! at end of output step\n REAL, ALLOCATABLE, SAVE :: MX_HDIV ( : ) ! for whole output step\n\n REAL(8), PARAMETER :: TOL = 1.D-3 ! Tolerance Parameter for checking that grid \n ! specifications from input files match those \n ! in the model. Units are in meters.\n\n CHARACTER( 16 ) :: PNAME = 'ADVSTEP'\n CHARACTER( 96 ) :: XMSG = ' '\n\n INTEGER :: ALLOCSTAT\n\n CHARACTER( 80 ) :: VARDESC ! environment variable description\n\n INTERFACE\n SUBROUTINE HVELOC( FDATE, FTIME, FSTEP, UWIND, VWIND, HDIV )\n INTEGER, INTENT( IN ) :: FDATE, FTIME, FSTEP\n REAL, INTENT( OUT ) :: UWIND( :,:,: ), VWIND( :,:,: )\n REAL, INTENT( OUT ) :: HDIV( :,:,: )\n END SUBROUTINE HVELOC\n END INTERFACE\n\nC-----------------------------------------------------------------------\n\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n\n CALL LOG_HEADING( LOGDEV, 'INITIALIZE ADVECTION STEPPING' )\n\n IF ( SIGST .GT. VGLVS_GD( 2 ) .OR.\n & SIGST .LT. VGLVS_GD( NLAYS + 1 ) ) THEN\n WRITE(XMSG, '(A, 1PE12.3)') 'SIGMA_SYNC_TOP incorrect', SIGST\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n\n IF ( SIGST .EQ. VGLVS_GD( NLAYS + 1 ) ) THEN\n L = NLAYS\n ELSE\n DO K = 1, NLAYS\n IF ( SIGST .GE. VGLVS_GD( K+1 ) ) THEN\n IF ( SIGST - VGLVS_GD( K+1 ) .LE.\n & VGLVS_GD( K ) - SIGST ) THEN\n L = K\n ELSE\n L = K - 1\n END IF\n EXIT\n END IF\n END DO\n END IF\n\n ADVLAYR = L\n WRITE( LOGDEV,92005 ) ADVLAYR\n\n SDATE = FILE_SDATE(F_MET)\n STIME = FILE_STIME(F_MET)\n FSTEP = FILE_TSTEP(F_MET)\n\nC Check file data against COORD.EXT\n\n IF ( ABS( FILE_XCELL(F_MET) - XCELL_GD ) .GT. TOL .OR.\n & ABS( FILE_YCELL(F_MET) - YCELL_GD ) .GT. TOL ) THEN\n WRITE( LOGDEV,* ) 'XCELL3D, XCELL_GD, YCELL3D, YCELL_GD: '\n WRITE( LOGDEV,* ) XCELL3D, XCELL_GD, YCELL3D,YCELL_GD\n XMSG = 'File grid sizes do not match CTM domain definition'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT3 )\n END IF\n\nC Get cell size in meters (from COORD.EXT)\n\n IF ( GDTYP_GD .EQ. LATGRD3 ) THEN\n IDX2 = 1.0 / ( DG2M * YCELL_GD )\n IDX1 = 1.0 / ( DG2M * XCELL_GD\n & * COS( PI180*( YORIG_GD + YCELL_GD*FLOAT( NROWS/2 ) ) ) )\n ELSE\n IDX1 = 1.0 / XCELL_GD\n IDX2 = 1.0 / YCELL_GD\n END IF\n\nC Get the time of starting wind field: do not interpolate\n IF ( .NOT. CURRSTEP( JDATE, JTIME, SDATE, STIME, FSTEP,\n & FDATE, FTIME) ) THEN\n XMSG = 'Cannot get step-starting date and time'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT3 )\n END IF\n\n ALLOCATE( WIND_IDX_BEG( NLAYS ),\n & WIND_IDX_END( NLAYS ),\n & WIND_IDX ( NLAYS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating WIND_IDX*'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n ALLOCATE( MX_HDIV_BEG( NLAYS ),\n & MX_HDIV_END( NLAYS ),\n & MX_HDIV ( NLAYS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating MX_HDIV*'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n \n IF ( .NOT. COLUMN_MODEL ) THEN\n\n CALL HVELOC( FDATE, FTIME, WSTEP, UWIND, VWIND, HDIV )\n\n DO L = 1, NLAYS\n WIND_IDX_BEG( L ) = 0.0\n MX_HDIV_BEG( L ) = 0.0\n DO R = 1, NROWS\n DO C = 1, NCOLS\n WIND_IDX_BEG( L ) = MAX( WIND_IDX_BEG( L ),\n & ABS( UWIND( C,R,L ) ) * IDX1,\n & ABS( VWIND( C,R,L ) ) * IDX2 )\n MX_HDIV_BEG( L ) = MAX( MX_HDIV_BEG( L ), HDIV( C,R,L ) )\n END DO\n END DO\n WIND_IDX_BEG( L ) = SUBST_GLOBAL_MAX( WIND_IDX_BEG( L ) )\n MX_HDIV_BEG( L ) = SUBST_GLOBAL_MAX( MX_HDIV_BEG( L ) )\n END DO\n\n ELSE\n\n UWIND = 0.0\n VWIND = 0.0\n HDIV = 0.0\n WIND_IDX = 0.0\n MX_HDIV = 0.0\n WIND_IDX_BEG = 0.0\n WIND_IDX_END = 0.0\n MX_HDIV_END = 0.0\n MX_HDIV_BEG = 0.0\n\n END IF\n END IF ! FIRSTIME\n\nC Compute the least number of equal time steps that satisfy the Courant\nC condition (force TSTEP(2) to be no greater than MAXSYNC):\n\n#ifdef twoway\n OSTEP = TIME2SEC( TSTEP( 3 ) )\n#else\n OSTEP = TIME2SEC( min(TSTEP( 1 ), FSTEP) )\n#endif\n MAXSYNC = MIN( OSTEP, MAXSYNC )\n\nC Make sure MINSYNC <= output time step\n IF ( MINSYNC .GT. OSTEP ) THEN\n WRITE( LOGDEV,92009 ) OSTEP, MINSYNC\n XMSG = ' '\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT3 )\n END IF\n\nC Make sure MINSYNC <= MAXSYNC\n IF ( MINSYNC .GT. MAXSYNC ) THEN\n WRITE( LOGDEV,92010 ) MAXSYNC, MINSYNC\n XMSG = ' '\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT3 )\n END IF\n\nC Determine MINSECS, the smallest time step (sec) between MINSYNC and MAXSYNC\nC that divides the output step\n IF ( MINSYNC .LE. 1 ) THEN\n MINSECS = 1\n ELSE\n DO MINSECS = MINSYNC, MAXSYNC\n IF ( MOD( OSTEP, MINSECS ) .EQ. 0 ) THEN\n IF ( MINSECS .NE. MINSYNC )\n & WRITE( LOGDEV,92011 ) JDATE, JTIME, MINSYNC, MINSECS\n EXIT\n ELSE IF ( MINSECS .LT. MAXSYNC ) THEN\n CYCLE\n END IF\nC A satisfactory MINSECS could not be found\n WRITE( XMSG,92012 ) MINSYNC, OSTEP\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT3 )\n END DO\n END IF\n\nC Establish ending time for this Courant number calculation:\n EDATE = JDATE\n ETIME = JTIME\n#ifdef twoway\n CALL NEXTIME( EDATE, ETIME, TSTEP( 3 ) )\n#else\n CALL NEXTIME( EDATE, ETIME, min(TSTEP( 1 ), FSTEP) )\n#endif\n\n IF ( SECSDIFF( FDATE, FTIME, EDATE, ETIME ) .GT. 0 )\nC Get the next wind field: do not interpolate\n & CALL NEXTIME( FDATE, FTIME, FSTEP )\n\n IF ( .NOT. COLUMN_MODEL ) THEN\n\n CALL HVELOC( FDATE, FTIME, WSTEP, UWIND, VWIND, HDIV )\n\n DO L = 1, NLAYS\n WIND_IDX_END( L ) = 0.0\n MX_HDIV_END( L ) = 0.0\n DO R = 1, NROWS\n DO C = 1, NCOLS\n WIND_IDX_END( L ) = MAX( WIND_IDX_END( L ),\n & ABS( UWIND( C,R,L ) ) * IDX1,\n & ABS( VWIND( C,R,L ) ) * IDX2 )\n MX_HDIV_END( L ) = MAX( MX_HDIV_END( L ), HDIV( C,R,L ) )\n END DO\n END DO\n WIND_IDX_END( L ) = SUBST_GLOBAL_MAX( WIND_IDX_END( L ) )\n MX_HDIV_END( L ) = SUBST_GLOBAL_MAX( MX_HDIV_END( L ) )\n END DO\n\n END IF\n\n WIND_IDX = MAX( WIND_IDX_BEG, WIND_IDX_END ) ! array\n WIND_IDX_BEG = WIND_IDX_END ! save for next call\n MX_HDIV = MAX( MX_HDIV_BEG, MX_HDIV_END ) ! array\n MX_HDIV_BEG = MX_HDIV_END ! save for next call\n\nC Determine the synchronization timestep, TSTEP(2), and NREPS, the corresponding\nC number of sync steps per output timestep\n\nC Find the largest timestep that satisfies the Courant condition in all of the\nC lower ADVLAYR layers. If this is smaller than MINSECS, then set the sync step\nC to MINSECS. Otherwise, set the sync step to the largest time step that both\nC satisfies the Courant condition and is an integer divisor of the output step\nC (existence of such a sync step is guaranteed because, at this point, MINSECS\nC satisfies both conditions).\n MXUOVDX = MAXVAL( WIND_IDX( 1:ADVLAYR ) )\n ADJFLG = .FALSE.\n DO REP = 1, OSTEP\n IF ( MOD( OSTEP, REP ) .EQ. 0 ) THEN ! make TSTEP(2) divide TSTEP(1)\n SYNC = OSTEP / REP\n IF ( SYNC .LE. MAXSYNC ) THEN ! enforce max TSTEP(2)\n ADV = SYNC\n IF ( MXUOVDX * REAL( ADV ) .LT. CFL ) THEN ! CFL satisfied\n IF ( SYNC .GE. MINSECS ) THEN ! force min TSTEP(2)\n NREPS = REP\n GO TO 301\n ELSE ! multiple adv steps per sync step (= MINSECS)\n SYNC = MINSECS\n NREPS = OSTEP / MINSECS\n DO SUB = 1, MINSECS\n IF ( MOD( MINSECS, SUB ) .EQ. 0 ) THEN ! make ADV divide TSTEP(2)\n TADV = MINSECS / SUB\n IF ( TADV .LE. ADV ) THEN\n ADV = TADV\n ADJFLG = .TRUE.\n GO TO 301\n END IF\n END IF\n END DO\n GO TO 291 ! No solution\n END IF\n END IF ! if Courant condition satisfied\n END IF ! if SYNC .le. MAXSYNC\n END IF ! if REP divides STEP evenly\n END DO ! REP loop\n\n291 continue\n\nC If you get here: could not determine satisfactory advection time step.\n\n WRITE( LOGDEV,94011 ) min(TSTEP( 1 ), FSTEP), MXUOVDX\n XMSG = ' '\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT3 )\n\n301 CONTINUE\n\n TSTEP( 2 ) = SEC2TIME( SYNC )\n DO L = 1, ADVLAYR\n ASTEP( L ) = SEC2TIME( ADV )\n NADVS( L ) = SYNC / ADV\n END DO\n\n IF ( ADJFLG ) THEN\n WRITE( LOGDEV,92019 ) MINSECS, TSTEP( 2 ), NREPS\n ELSE\n WRITE( LOGDEV,92021 ) TSTEP( 2 ), NREPS\n END IF\n\n DO L = ADVLAYR + 1, NLAYS\n DO REP = 1, SYNC\n IF ( MOD( SYNC, REP ) .EQ. 0 ) THEN\n ADV = SYNC / REP\n IF ( WIND_IDX( L ) * REAL( ADV ) .LT. CFL ) THEN ! Layer CFL satisfied\n NADVS( L ) = REP\n ASTEP( L ) = SEC2TIME( ADV )\n GO TO 401\n END IF ! if courant condition satisfied\n END IF ! if rep divides step\n END DO\n\nC If you get here: could not determine satisfactory advection time step.\n\n WRITE( LOGDEV,94013 ) min(TSTEP( 1 ), FSTEP), L, WIND_IDX( L )\n XMSG = ' '\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT3 )\n\n401 CONTINUE\n\n END DO ! layer loop\n\nC For each layer ensure that Max(HDIV)*ADV < 1.\n\n WRITE( LOGDEV,92025 )\n DO L = NLAYS, 1, -1 ! start at the top, purely for the 92027, 92029 write\n ADV = TIME2SEC( ASTEP( L ) )\n IF ( REAL( ADV ) * MX_HDIV( L ) .LT. HDIV_LIM ) THEN\n WRITE( LOGDEV,92027 ) L, ASTEP( L ), NADVS( L )\n CYCLE\n ELSE\n SUB = ADV\n DO WHILE ( SUB .GT. 0 )\n SUB = SUB - 1\n IF ( MOD( SYNC, SUB ) .EQ. 0 ) THEN\n ASTEP( L ) = SEC2TIME( SUB )\n NADVS( L ) = SYNC / SUB\n GO TO 501\n END IF\n END DO\nC If you get here: could not determine satisfactory advection time step.\n\n WRITE( LOGDEV,94013 ) min(TSTEP( 1 ), FSTEP), L, WIND_IDX( L )\n XMSG = ' '\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT3 )\n\n501 CONTINUE\n WRITE( LOGDEV,92029 ) L, ASTEP( L ), NADVS( L )\n END IF\n END DO\n\n RETURN\n\nC------------------ FORMAT STATEMENTS ------------------------------\n\n92005 FORMAT( 5X, 'Top layer thru which sync step determined:', I3 )\n\n92009 FORMAT( / 5X, 'Output time step:', I8,\n & 1X, 'less than minimum synchronization step:', I8 )\n\n92010 FORMAT( / 5X, 'Maximum synchronization step:', I8,\n & 1X, 'less than minimum synchronization step:', I8 )\n\n92011 FORMAT( / 5X, 'From ADVSTEP - date/time: ', I8, '/', I6.6\n & / 5X, 'Minimum Synchronization Step adjusted from:', I8,\n & 1X, 'to:', I8 )\n\n92012 FORMAT( / 5X, 'Starting from:', I6, ',',\n & 1X, 'could not determine minimum step that divides TSTEP',\n & 1X, 'for model step:', I7.6, ' HHMMSS' )\n\n92019 FORMAT( / 5X, 'Synchronization step adjusted up to minimum (SEC):', I7\n & /46X, '(HHMMSS): ', I6.6\n & / 5X, 'Number of Synchronization steps:', I5 )\n\n92021 FORMAT( 5X, 'Computed synchronization step (HHMMSS): ', I6.6\n & / 5X, 'Number of Synchronization steps:', I5 )\n\n92025 FORMAT( / 5X, 'Layer', 3X, 'Advection', 3X, 'per Sync'\n & /11X, 'Step (HHMMSS)', 2X, 'Step' )\n\n92027 FORMAT( 5X, I4, 6X, I6.6, 6X, I2 )\n92029 FORMAT( 5X, I4, 6X, I6.6, 6X, I2, 2X, '<- Hdiv adjusted' )\n\n94011 FORMAT( / 5X, 'Could not determine Courant-condition safe sync step',\n & 1X, 'for model step:', I7.6, ' HHMMSS',\n & / 5X, '(Max vel)/(dX) =', 1PE10.3)\n\n94013 FORMAT( / 5X, 'Could not determine Courant-condition safe sync step',\n & 1X, 'for model step:', I7.6, ' HHMMSS',\n & 1X, 'in layer:', I3\n & / 5X, '(Max vel)/(dX) =', 1PE10.3)\n\n END\n" }, { "path": "CCTM/src/driver/cmaq_main.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n!------------------------------------------------------------------------!\n! This serves the main program for offline CMAQ mode\n\n! Revision History:\n! 02/01/19, D. Wong: initial implementation\n! 02/10/20, D. Wong: Added new environmental variable MET_TSTEP\n! to allow running with temporally fine \n! meteorology\n!------------------------------------------------------------------------!\n\n PROGRAM CMAQ\n\n USE RUNTIME_VARS\n USE UTILIO_DEFN\n\n IMPLICIT NONE\n\n#ifdef parallel\n INCLUDE 'mpif.h'\n\n INTEGER PAR_ERR ! Error code from parallel initialization\n REAL( 8 ) BEGTIME ! Wall-clock time (sec) at MPI initialization\n REAL( 8 ) ENDTIME ! Wall-clock time (sec) at MPI finish\n REAL( 8 ) ELAPTIME ! ENDTIME-BEGTIME\n#else\n REAL BEGTIME ! Wall-clock time (sec) at MPI initialization\n REAL ENDTIME ! Wall-clock time (sec) at MPI finish\n REAL ELAPTIME ! ENDTIME-BEGTIME\n#endif\n CHARACTER( 96 ) :: XMSG = ' '\n\n INTEGER :: MODEL_TSTEP, NSTEPS, ISTEP,\n $ JDATE, JTIME, TOTSECS, STEPSECS\n CHARACTER( 96 ) :: MSG = ' '\n\n INTERFACE\n SUBROUTINE CMAQ_DRIVER ( MODEL_STDATE, MODEL_STTIME, MODEL_TSTEP,\n $ MODEL_JDATE, MODEL_JTIME, LAST_STEP,\n $ COUPLE_TSTEP, NCOLS_IN, NLAYS_IN)\n INTEGER, INTENT( IN ) :: MODEL_STDATE, MODEL_STTIME, MODEL_TSTEP\n INTEGER, INTENT( OUT ) :: MODEL_JDATE, MODEL_JTIME\n LOGICAL, INTENT( IN ) :: LAST_STEP\n INTEGER, INTENT( IN ), OPTIONAL :: COUPLE_TSTEP\n INTEGER, INTENT( IN ), OPTIONAL :: NCOLS_IN, NLAYS_IN\n END SUBROUTINE CMAQ_DRIVER\n END INTERFACE\n\n#ifdef parallel\nC Start up processor communication and retrieve number of compute\nC processes (NPROCS)\n CALL MPCOMM_INIT( NPROCS, MYPE, BEGTIME, PAR_ERR )\n#else\n NPROCS = 1\n MYPE = 0\n CALL CPU_TIME( BEGTIME )\n#endif\n ! Initialize all runscript environmental variables\n CALL INIT_ENV_VARS( 0, 0 )\n\n MODEL_TSTEP = LOCAL_TSTEP\n\n TOTSECS = TIME2SEC( RUNLEN )\n\n STEPSECS = TIME2SEC( MIN( MODEL_TSTEP, MET_TSTEP) )\n\n IF ( MOD( TOTSECS, STEPSECS ) .EQ. 0 ) THEN\n NSTEPS = TOTSECS / STEPSECS\n ELSE\n MSG = 'EXIT: Output time step ' // HHMMSS( MODEL_TSTEP ) //\n & ' does not divide duration ' // HHMMSS( RUNLEN )\n CALL M3EXIT( 'CMAQ_MAIN', STDATE, STTIME, MSG, XSTAT1 )\n END IF\n \n ! Call to driver, for nsteps or how often the model synchronization step\n ! needs to be recalculated (RUNLEN = 60*(NSTEPS*NREPS*TSTEP(2))\n\n DO ISTEP = 1, NSTEPS\n CALL CMAQ_DRIVER (STDATE, STTIME, MODEL_TSTEP, JDATE, JTIME, (ISTEP .EQ. NSTEPS))\n END DO\n\n#ifdef parallel\n ENDTIME = MPI_WTIME() ! get final wall-clock time\n#else\n CALL CPU_TIME( ENDTIME ) ! get final wall-clock time\n#endif\n ELAPTIME = ENDTIME - BEGTIME\n WRITE( XMSG, '(A,F10.1,A)' ) 'The elapsed time for this simulation was', \n & ELAPTIME, ' seconds.'\n CALL LOG_MESSAGE( LOGDEV, XMSG )\n IF ( MYPE .EQ. 0 ) WRITE( OUTDEV, * )\n IF ( MYPE .EQ. 0 ) CALL LOG_MESSAGE( OUTDEV, XMSG )\n IF ( MYPE .EQ. 0 ) WRITE( OUTDEV, * )\n\n#ifdef parallel\nC Shut down MPI\n CALL MPI_FINALIZE ( PAR_ERR )\n IF ( PAR_ERR .NE. 0 ) THEN\n MSG = 'Error terminating MPI'\n CALL M3EXIT( 'CMAQ_MAIN', STDATE, STTIME, MSG, XSTAT1 )\n END IF\n#endif\n\n END PROGRAM CMAQ\n" }, { "path": "CCTM/src/driver/driver.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE CMAQ_DRIVER ( MODEL_STDATE, MODEL_STTIME, MODEL_TSTEP,\n $ MODEL_JDATE, MODEL_JTIME, LAST_STEP,\n $ COUPLE_TSTEP, NCOLS_IN, NLAYS_IN)\n\nC-----------------------------------------------------------------------\nC Function:\nC CMAQ CTM driver\n \nC Preconditions:\nC Initialized file CONCFILE for output; completed\nC files HISTORY containing initial conditions, SPCCONST for\nC conversion of concentration field from computational units\nC to output units.\n \nC Subroutines and functions called:\nC INITSCEN, ADVSTEP, M3EXIT, WRITE3\nC science processes SCIPROC, PA_OUTPUT\n \nC Revision History:\nC prototype 6/92 by CJC for proof-of-concept\nC Revised 2/93 by CJC for initial LCM Prototype Alpha\n \nC 31 August, 1995 by M. Talat Odman at NCSC: special version for one \nC single grid\n \nC 16 April 1995 by M. Talat Odman at NCSC: write (or rewrite if restart)\nC initial conditions to the output file\n\nC Jeff\nC 18 June 98 - put load of mechanism common here because of ping/ping_noop,\nC chem/chem_noop options\n\nC 2 October, 1998 by Al Bourgeois at LM: parallel implementation\nC Jeff - Dec 00 - move CGRID_MAP into f90 module, re-order cols/rows in\nC call to PAR_INIT\nC Jeff - Jul 01 - enable integral average conc data\nC Sep 01 J. Young Dyn Alloc - Use HGRD_DEFN\n\nC 3 Sep 01 David wong\nC -- removed M3IO SHUT3 call which is done in PAR_TERM\nC -- removed SET_CTMFILE call\n\nC 23 Jun 03 J.Young: for layer dependent advection tstep\nC 18 Aug 03 J. Pleim - move vdiff before advection\nC 07 Dec 04 J.Young: for layer dyn alloc - Use VGRD_DEFN\nC 30 May 05 J.Young: mass-conserving advection (yamo)\nC 20 Jan 06 J.Young: add circular buffer CGRID state file\nC 24 May 06 J.Young: par_init/pio_init col/row order check\nC 6 Sep 06 J.Young: one-write cgrid file; SGRID in module\nC 27 May 09 J.Young: re-do parallel processing initialization\nC 21 Jun 10 J.Young: convert for Namelist redesign\nC 20 Jul 10 J.Young: re-do serial processing termination (eliminate par_noop)\nC 16 Feb 11 S.Roselle: replaced I/O API include files with UTILIO_DEFN\nC 11 May 11 D.Wong: incorporated twoway model implementation\nC 24 Aug 11 D.Wong: eliminated data and geo orientation in se_init call\nC 8 Jan 13 C.Nolte: fixed load AGRID bug if TSTEP(1) .ne. 010000 hhmmss\nC 24 Sep 13 D.Wong: Computed AGRID at the output mark of the model\nC indicated in TSTEP(1) for twoway model\nC 21 Apr 14 D.Wong: Removed M3EXIT call in SHUT3 block\nC 07 Jul 14 B.Hutzell: replaced mechanism include file(s) with fortran module\nC 10 Aug 15 D.Wong: Replaced MYPE with IO_PE_INCLUSIVE for parallel\nC I/O implementation\nC 10 Dec 15 D.Wong: Moved the code which determines which processors are involved\nC in I/O processing in front of routine PIO_RE_INIT and passed\nC that information into PIO_RE_INIT\nC 26 Jan 16 J.Young: Consolidate PIO_INIT, use keywords for optional arguments\nC 28 Jan 16 D.Wong: Add SAVE attribute to TSTEP for the two-way model implementation\nC 16 Sep 16 J.Young: update for inline procan (IRR)\nC 29 Nov 17 D. Wong: removed all SWAP routines and replaced with SE_COMM\nC 29 Oct 18 L.Zhou, S.Napelenok: isam implementation\nC 31 Jan 19 D. Wong: adopted the idea to process all twoway related environment\nC variables in one place\nC 01 Feb 19 D. Wong: made this as a subroutine rather than the main program to\nC accommodate interface with global, regional and offlice mode,\nC implemented centralized I/O approach, removed all MY_N clauses,\nC with new re-structure of LUS_DEFN, most of the data declaration \nC has been moved to lus_data_module (model_data_module.f) and to\nC call lus_setup to setup land use information according to land\nC use scheme\nC 02 Aug 19 F. Sidi: Restored serial processing option\nC 03 AUG 19 D.Wong: Modified code to work with two-way model\nC 09 Sep 19 F. Sidi: Replaced L_CONC_WVEL & L_ACONC_WVEL (depreciated) with W_VEL\nC 21 Nov 19 S.L.Napelenok: Include DDM3D for versions 5.3.1\nC-----------------------------------------------------------------------\n\n USE RXNS_DATA ! chemical mechanism data\n USE CENTRALIZED_IO_MODULE\n USE ASX_DATA_MOD, Only : MET_DATA, INIT_MET, GET_MET\n USE LSM_MOD\n USE WVEL_DEFN ! derived vertical velocity component\n USE BUDGET_DEFN\n USE AERO_DATA\n USE ELMO_DATA, ONLY : L_ELMO, ELMO_NSTEP\n USE ELMO_PROC, ONLY : ELMO_DRIVER, WRITE_ELMO, MAP_ELMO\n USE UTILIO_DEFN\n USE util_Family_module\n USE RUNTIME_VARS\n USE STD_CONC ! standard CONC\n USE CGRID_SPCS ! CGRID mechanism species\n#ifdef mpas\n USE HGRD_DEFN, ONLY: MYPE\n use coupler_module\n use VGRD_DEFN, ONLY : NLAYS\n use HGRD_DEFN, ONLY : NCOLS, NROWS\n\n use mydata_module\n use get_env_module\n use lus_defn\n use mio_module\n#else\n USE PCGRID_DEFN ! inherits GRID_CONF\n USE AVG_CONC ! integral average CONC\n USE PA_DEFN, Only: LIPR, LIRR ! Process Anaylsis control and data variables\n USE PAGRD_DEFN ! Process Anaylsis horiz domain specs\n\n USE BIDI_MOD, Only : INIT_BIDI\n\n#ifdef isam\nc USE SA_LAYERS\n USE SA_DEFN\n USE PISAM_DEFN ! SA array definition (borrowed )\nc USE PMFRC_DEFN ! MAPFRAC array definition ( adapted )\n#endif\n\n#ifdef sens\n USE DDM3D_DEFN\n USE S_PCGRID_DEFN\n#endif\n\n#ifdef parallel\n USE VERTEXT_MODULE\n#endif\n USE lus_data_module\n\n#ifdef twoway\n use twoway_data_module\n use sd_time_series_module\n#endif\n\n#ifdef parallel\n USE SE_MODULES ! stenex (using SE_INIT_MODULE)\n#else\n USE NOOP_MODULES ! stenex (using NOOP_INIT_MODULE)\n#endif\n#endif ! end mpas\n\n IMPLICIT NONE\n\n INTEGER, INTENT( IN ) :: MODEL_STDATE, MODEL_STTIME, MODEL_TSTEP\n INTEGER, INTENT( OUT ) :: MODEL_JDATE, MODEL_JTIME\n LOGICAL, INTENT( IN ) :: LAST_STEP\n INTEGER, INTENT( IN ), OPTIONAL :: COUPLE_TSTEP\n INTEGER, INTENT( IN ), OPTIONAL :: NCOLS_IN, NLAYS_IN\n\n#ifdef mpas\n real, parameter :: cmin = 1.0E-30\n\n integer :: ncols_gl\n#endif\n\nC Include Files:\n INCLUDE SUBST_FILES_ID ! I/O definitions and declarations\n\n#ifdef parallel\n! INCLUDE SUBST_MPI ! MPI definitions and parameters\n INCLUDE 'mpif.h'\n#endif\n\nC Local variables:\n\n INTEGER, SAVE :: TSTEP( 3 ) ! time step vector (HHMMSS)\n ! TSTEP(1) = local output step\n ! TSTEP(2) = sciproc sync. step (chem)\n ! TSTEP(3) = twoway model time step w.r.t. wrf time\n ! step and wrf/cmaq call frequency\n\n INTEGER, ALLOCATABLE, SAVE :: ASTEP( : )\n INTEGER, SAVE :: NREPS ! number of model time steps per output step\n INTEGER ISTEP ! current output time step number\n INTEGER IREP ! model step number within this output step\n INTEGER, SAVE :: JDATE ! current model date, coded YYYYDDD\n INTEGER, SAVE :: JTIME ! current model time, coded HHMMSS\n INTEGER C, R, L, K, S, V ! loop induction variables\n INTEGER ALLOCSTAT\n INTEGER NFILE, IFILE\n LOGICAL EXST, OPD\n CHARACTER( 1000 ) :: CFILE\n CHARACTER( 16 ) :: ACT\n REAL( 8 ) :: CPU_TIME_START, CPU_TIME_FINISH\n REAL :: REAL_TIME\n\n\n CHARACTER( 2 ) :: COLROW = 'CR' ! col/row arg list order\n CHARACTER( 16 ) :: PNAME = 'DRIVER'\n CHARACTER( 96 ) :: XMSG = ' '\n\n REAL, SAVE, POINTER :: CGRID( :,:,:,: )\n REAL, ALLOCATABLE, SAVE :: AGRID( :,:,:,: )\n REAL DIVFAC ! trapezoidal average factor\n\n LOGICAL, SAVE :: FIRST_RUN = .TRUE. ! used for twoway model\n LOGICAL :: WFLG = .TRUE. ! turn on write subdmap in pio_init\n\n INTEGER, SAVE :: myNREPS = 0\n INTEGER :: STATUS\n\n#ifdef mpas\n\n integer :: io_mode\n\n INTEGER SPC_STRT, SPC_FINI, J\n LOGICAL LSTAT\n INTEGER STAT ! Status reported by Aerosol Dist Checker\n\n INTEGER LMODE !Identifies the problematic mode from\n !the BC Check routine\n REAL AER_PAR( 2, N_MODE,5 ) !Modal parameter after the BC \n !check (N, dg, sg)\n ! (N, M2, M3) -\n ! Before\n ! (N, M2, M3) -\n ! After\n REAL,ALLOCATABLE :: AECON( : )\n\n REAL( 8 ) :: BEGTIME ! Wall-clock time (sec) at MPI initialization\n LOGICAL :: L_WRITE_WARNING\n\n\n#endif\n\n INTERFACE\n SUBROUTINE INITSCEN ( CGRID, TSTEP )\n REAL, POINTER :: CGRID( :,:,:,: )\n INTEGER, INTENT( OUT ) :: TSTEP( 3 )\n END SUBROUTINE INITSCEN\n#ifndef mpas\n SUBROUTINE ADVSTEP ( JDATE, JTIME, TSTEP, ASTEP, NREPS )\n INTEGER, INTENT( IN ) :: JDATE, JTIME\n INTEGER, INTENT( INOUT ) :: TSTEP( 3 )\n INTEGER, INTENT( OUT ) :: ASTEP( : )\n INTEGER, INTENT( OUT ) :: NREPS\n END SUBROUTINE ADVSTEP\n SUBROUTINE CKSUMMER ( PRNAME, CGRID, JDATE, JTIME )\n CHARACTER( * ), INTENT( IN ) :: PRNAME\n REAL, POINTER :: CGRID( :,:,:,: )\n INTEGER, INTENT( IN ) :: JDATE, JTIME\n END SUBROUTINE CKSUMMER\n SUBROUTINE PA_INIT ( CGRID, JDATE, JTIME, TSTEP )\n REAL, POINTER :: CGRID( :,:,:,: )\n INTEGER, INTENT( IN ) :: JDATE, JTIME, TSTEP( 3 )\n END SUBROUTINE PA_INIT\n SUBROUTINE WR_ACONC ( AGRID, JDATE, JTIME, TSTEP )\n REAL, INTENT( IN ) :: AGRID( :,:,:,: )\n INTEGER, INTENT( IN ) :: JDATE, JTIME, TSTEP\n END SUBROUTINE WR_ACONC\n SUBROUTINE WR_CGRID ( CGRID, JDATE, JTIME, TSTEP )\n REAL, POINTER :: CGRID( :,:,:,: )\n INTEGER, INTENT( IN ) :: JDATE, JTIME, TSTEP\n END SUBROUTINE WR_CGRID\n SUBROUTINE PA_OUTPUT ( CGRID, JDATE, JTIME )\n REAL, POINTER :: CGRID( :,:,:,: )\n INTEGER, INTENT( IN ) :: JDATE, JTIME\n END SUBROUTINE PA_OUTPUT\n#ifdef isam\n SUBROUTINE WR_SA ( JDATE, JTIME, TSTEP, NSTEPS )\n IMPLICIT NONE\n INTEGER :: JDATE, JTIME, TSTEP( 3 )\n INTEGER :: NSTEPS\n END SUBROUTINE WR_SA\n SUBROUTINE WR_AVG_SA ( JDATE, JTIME, TSTEP )\n IMPLICIT NONE\n INTEGER :: JDATE, JTIME, TSTEP\n END SUBROUTINE WR_AVG_SA\n SUBROUTINE WR_SA_CGRID ( JDATE, JTIME, TSTEP )\n IMPLICIT NONE\n INTEGER :: JDATE, JTIME, TSTEP\n END SUBROUTINE WR_SA_CGRID\n#endif\n#ifdef sens\n SUBROUTINE WR_SENGRID ( JDATE, JTIME, TSTEP )\n IMPLICIT NONE\n INTEGER, INTENT( IN ) :: JDATE, JTIME, TSTEP\n END SUBROUTINE WR_SENGRID\n SUBROUTINE WR_ASENS ( JDATE, JTIME, TSTEP )\n IMPLICIT NONE\n INTEGER, INTENT( IN ) :: JDATE, JTIME, TSTEP\n END SUBROUTINE WR_ASENS\n#endif\n#endif\n\n SUBROUTINE SCIPROC ( CGRID, JDATE, JTIME, TSTEP, ASTEP )\n REAL, POINTER :: CGRID( :,:,:,: )\n INTEGER, INTENT( INOUT ) :: JDATE, JTIME\n INTEGER, INTENT( IN ) :: TSTEP( 3 ), ASTEP( : )\n END SUBROUTINE SCIPROC\n#ifdef mpas\n SUBROUTINE UNLOAD_CGRID ( CGRID )\n REAL, INTENT(IN) :: CGRID( :,:,:,: )\n END SUBROUTINE UNLOAD_CGRID\n#endif\n END INTERFACE\n\nC-----------------------------------------------------------------------\n\n IF ( FIRST_RUN ) THEN\n\n TSTEP = 0\n#ifdef mpas\n CALL INIT_ENV_VARS( 0, 0 )\n#else\n STDATE = MODEL_STDATE\n STTIME = MODEL_STTIME\n#endif\n\n#ifdef twoway\n TSTEP( 1 ) = LOCAL_TSTEP\n TSTEP( 3 ) = SEC2TIME(MODEL_TSTEP)\n#else\n TSTEP( 1 ) = MODEL_TSTEP\n#endif\n\n IF (PRESENT (COUPLE_TSTEP)) THEN\n TSTEP( 3 ) = SEC2TIME( COUPLE_TSTEP )\n MPAS_TSTEP = TSTEP( 3 )\n END IF\n\n IF (PRESENT(NCOLS_IN)) THEN\n NCOLS = NCOLS_IN\n NROWS = 1\n NLAYS = NLAYS_IN\n TSTEP( 2 ) = SEC2TIME( COUPLE_TSTEP )\n END IF\n\n#ifdef mpas\n CALL MPCOMM_INIT( NPROCS, MYPE, BEGTIME, LMODE )\n\n IO_PE_INCLUSIVE = .TRUE.\n\n call mpi_allreduce (ncols, ncols_gl, 1, mpi_int, mpi_sum, mpi_comm_world, status)\n\n call mio_init (NPROCS, 1, ncols_gl, nrows, logdev=logdev)\n\nC Set CGRID mechanism\n IF ( .NOT. CGRID_SPCS_INIT() ) THEN\n XMSG = 'Error in CGRID_SPCS:CGRID_SPCS_INIT'\n call M3EXIT (PNAME, JDATE, JTIME, XMSG, 1)\n END IF\n\n CALL GET_ENV ( LAND_SCHEME, 'LAND_SCHEME', 'NLCD40', LOGDEV )\n\n ALLOCATE (CGRID ( NCOLS,NROWS,NLAYS,NSPCSD ), STAT = ALLOCSTAT)\n\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'CGRID memory allocation failed'\n call M3EXIT (PNAME, JDATE, JTIME, XMSG, 1)\n END IF\n\nC Set up horizontal domain, calculate processor-to-subdomain maps\nC and define vertical layer structure (in module GRID_CONF)\n IF ( .NOT. GRID_INIT ( NPROCS, MYPE ) ) THEN\n XMSG = '*** Failure defining domain configuration'\n call M3EXIT (PNAME, JDATE, JTIME, XMSG, 1)\n END IF\n\n#else\n#ifdef twoway\nC Initialize Environment Variables\n JDATE = 0\n JTIME = 0\n CALL INIT_ENV_VARS( JDATE, JTIME )\n#endif\n\nC Set up horizontal domain, calculate processor-to-subdomain maps\nC and define vertical layer structure (in module GRID_CONF)\n IF ( .NOT. GRID_INIT ( NPROCS, MYPE ) ) THEN\n XMSG = '*** Failure defining domain configuration'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n#ifdef verbose_driver\n write( logdev,* ) ' MYPE -> NPROCS: ', mype, nprocs\n write( logdev,* ) ' MYPE -> NPCOL: ', mype, npcol\n write( logdev,* ) ' MYPE -> NPROW: ', mype, nprow\n write( logdev,* ) ' MYPE -> MY_NCOLS: ', mype, ncols\n write( logdev,* ) ' MYPE -> MY_NROWS: ', mype, nrows\n write( logdev,* ) ' MYPE -> GL_NCOLS: ', mype, gl_ncols\n write( logdev,* ) ' MYPE -> GL_NROWS: ', mype, gl_nrows\n write( logdev,* ) ' MYPE -> NLAYS: ', mype, nlays\n write( logdev,* ) ' MYPE -> NBNDY: ', mype, nbndy\n#endif\n\nC Set CGRID mechanism\n IF ( .NOT. CGRID_SPCS_INIT() ) THEN\n XMSG = 'Error in CGRID_SPCS:CGRID_SPCS_INIT'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, 1 )\n END IF\n\n#ifdef sens\nC Initialize ddm3d calculations\n CALL INIT_DDM3D\n#endif\n\n CALL MAP_AERO()\n\n#ifdef verbose_driver\n write( logdev,* ) ' MYPE -> NSPCS: ', mype, nspcsd\n#endif\n\n#ifdef parallel_io\n IF ( MOD( MYPE, NPCOL ) .EQ. 0 ) THEN\n#else\n IF ( MYPE .EQ. 0 ) THEN\n#endif\n IO_PE_INCLUSIVE = .TRUE.\n ELSE\n IO_PE_INCLUSIVE = .FALSE.\n END IF\n\n#ifdef parallel\nC Initialize PARIO\n IF ( .NOT. PIO_INIT( COLROW, GL_NCOLS, GL_NROWS, NLAYS, NTHIK,\n & NCOLS, NROWS, NPCOL, NPROW, NPROCS, MYPE,\n & wflg = WFLG, io_pe_inclusive = IO_PE_INCLUSIVE ) ) THEN\n XMSG = 'Failed to initialize parallel I/O library.'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n#endif\nC Initialize stencil exchange\n CALL SUBST_SE_INIT( NPROCS, NPCOL, NPROW, GL_NCOLS, GL_NROWS, NLAYS,\n & NSPCSD, MYPE, MNDIS, MEDIS, MSDIS, MWDIS )\n\n\n#ifdef verbose_driver\n write( logdev,* ) ' MYPE -> MNDIS: ', mype, mndis\n write( logdev,* ) ' MYPE -> MEDIS: ', mype, medis\n write( logdev,* ) ' MYPE -> MSDIS: ', mype, msdis\n write( logdev,* ) ' MYPE -> MWDIS: ', mype, mwdis\n#endif\n\nC Generate the process analysis data: load PA_DEFN module\n CALL PA_DATAGEN( )\n\nC Abort if the number of output variables exceeds the maximum allowed\nC by I/O-API\n IF ( NSPCSD .GT. MXVARS3 ) THEN\n WRITE( XMSG,'(5X, A, I5, A)' ) 'The number of variables,', NSPCSD,\n & ' to be written to the State CGRID File'\n CALL LOG_MESSAGE( LOGDEV, XMSG )\n WRITE( XMSG,'(5X, A, I5)' ) 'exceeds the I/O-API limit:', MXVARS3\n CALL LOG_MESSAGE( LOGDEV, XMSG )\n XMSG = 'Recompile with an I/O-API lib having a larger MXVARS3'\n CALL LOG_MESSAGE( LOGDEV, XMSG )\n CALL M3EXIT( PNAME, JDATE, JTIME, ' ', XSTAT1 )\n END IF\n\nC Initialize PCGRID\n IF ( .NOT. PCGRID_INIT () ) THEN\n XMSG = 'Failure defining horizontal domain'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n \n CGRID => PCGRID( 1:NCOLS,1:NROWS,:,: ) ! required for PinG\n\nC Initalize CONC definitions (in STD_CONC F90 module)\n CALL CONC_DEFN ()\n\nC Get avg CONC definitions, species and layer pointers (in AVG_CONC F90 module)\n CALL A_CONC_DEFN ()\n\nC Miscellaneous Configuration Operations\n WRITE( LOGDEV, * )\n CALL LOG_HEADING( LOGDEV, \"Configure Scenario\" )\n\n#ifdef isam\nc CALL GET_SA_LAYS ()\n CALL SA_DIM()\n\nC Initialize PISAM\n IF ( .NOT. PISAM_INIT ( NSPC_SA, NTAG_SA ) ) THEN\n XMSG = 'Failure in defining SA horizontal domain'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n ISAM => PISAM( 1:NCOLS,1:NROWS,:,:,: )\n\n#endif\n\nC Initialize optional derived vertical velocity writes to conc file\n IF ( .NOT. WVEL_INIT () ) THEN\n XMSG = 'Failure initializing derived vertical velocity writes'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n\n#ifdef sens\nC Initialize ddm3d calculations\n IF ( .NOT. S_PCGRID_IN( NPMAX ) ) THEN\n XMSG = 'Failure defining horizontal sens domain'\n CALL M3EXIT ( PNAME, 0, 0, XMSG, XSTAT2 )\n END IF\n\n SENGRID => S_PCGRID(1:NCOLS,1:NROWS,:,:,:)\n SENGRID_TEMP => S_PCGRID_TEMP(1:NCOLS,1:NROWS,:,:)\n\n ALLOCATE ( SAGRID( NCOLS,NROWS,A_NLYS,NPMAX,N_ASPCS ), STAT = STATUS)\n IF ( STATUS .NE. 0 ) THEN\n XMSG = 'SAGRID memory allocation failed'\n CALL M3EXIT ( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n\n SAGRID = 0.0\n#endif\n\n\n#endif ! end of mpas\n\n\nC Initialize Global Arrays for Storing Chemical, Regional, Process,\nC and Emission Stream Families\n call read_families\n\nC Initiliaze IO Arrays and Open Files\n#ifdef mpas\n call centralized_io_init (NCOLS_IN)\n#else\n call centralized_io_init\n#endif\n\nC Initialize ELMO Arrays and Maps\n call map_elmo\n\nC Initialize conc field: Copy IC's to CONC file as step 0\nC Convention: the input file concentration units are always ppmV.\n\n CALL INITSCEN ( CGRID, TSTEP )\n JDATE = STDATE; JTIME = STTIME\n\n#ifdef sens\n STARTDATE = STDATE ! save variable into DDM3D module\n#endif\n\n#ifndef mpas\n CALL CKSUMMER ( 'INITSCEN', CGRID, JDATE, JTIME )\n\n IF ( LIPR .OR. LIRR ) CALL PA_INIT ( CGRID, JDATE, JTIME, TSTEP )\n\nC Verify input file header consistency and run duration\n! CALL FLCHECK ( JDATE, JTIME, TSTEP( 1 ) )\n\n ALLOCATE ( AGRID( NCOLS,NROWS,A_NLYS,N_ASPCS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'AGRID memory allocation failed'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n ALLOCATE ( ASTEP( NLAYS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'ASTEP memory allocation failed'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n#ifdef isam\n ALLOCATE ( AISAM( NCOLS,NROWS,NLAYS,NSPC_SA,NTAG_SA ),STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'AISAM memory allocation failed'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n AISAM = 0.\n#endif\n\n\n\n#ifdef twoway\n IF ( SD_TIME_SERIES ) THEN\n CALL SD_TIME_SERIES_INIT ( LOGDEV, TSTEP( 3 ) )\n CALL OUTPUT_SD_TIME_SERIES ( CGRID, JDATE, JTIME )\n END IF\n\n IF ( CMAQ_WRF_FEEDBACK ) THEN\n CALL FEEDBACK_SETUP ( JDATE, JTIME, TSTEP( 3 ) )\n END IF\n#endif\n#else\n! if (.not. lus_init (mminlu_mpas, lufrac_data(:,:,1)) ) then\n! CALL M3EXIT( 'DRIVER',JDATE,JTIME,'ERROR: Cannot initialize Land Use Category', 2)\n! end if\n\n if (ncd_64bit_offset) then\n io_mode = ior (nf90_noclobber, nf90_64bit_offset)\n else\n io_mode = nf90_noclobber\n end if\n\n call mio_setfile ('GR_EMIS_001')\n\n if (L_ELMO) then\n call mio_fcreate (CTM_ELMO_1, io_mode)\n end if\n\n call get_env (mpas_diag, 'mpas_diag', .false.)\n\n if (mpas_diag) then\n call mio_fcreate ('CTM_OUT', io_mode)\n end if\n\n\n! call mio_fcreate (CTM_DRY_DEP_1, io_mode)\n! call mio_fcreate (CTM_WET_DEP_1, io_mode)\n\n if ( depv_diag ) then\n call mio_fcreate (CTM_DEPV_DIAG, io_mode)\n end if\n\n if ( cld_diag ) then\n call mio_fcreate (CTM_WET_DEP_2, io_mode)\n end if\n\n! if (photdiag) then\n! call mio_fcreate (CTM_RJ_1, io_mode)\n! call mio_fcreate (CTM_RJ_2, io_mode)\n! end if\n\n#endif\n\nC Initialize Meteorology Structures\n CALL INIT_LSM( JDATE, JTIME )\n#ifndef mpas\n CALL INIT_BIDI( )\n#endif\n CALL INIT_MET( JDATE, JTIME )\n\n CALL GET_MET ( JDATE, JTIME, 0 )\n\n IF ( W_VEL ) CALL GET_WVEL( JDATE, JTIME ) ! If the user wants vertical velocity written to file, retrieve it.\n\n FIRST_RUN = .FALSE.\n\nC Main processing loop:\n IF ( MYPE .EQ. 0 ) WRITE( OUTDEV, * )\n IF ( MYPE. EQ. 0 ) CALL LOG_HEADING( OUTDEV, \"Time Integration\" )\n\n END IF ! first_run\n\n MODEL_JDATE = JDATE\n MODEL_JTIME = JTIME\n\n#ifdef mpas\n\n mpas_cmaq_last_step = LAST_STEP\n\n v = size(cgrid, 4)\n\n DO L = 1, NLAYS\n DO C = 1, NCOLS\n CGRID( C,1,L,1:N_GC_SPC ) = cmaq_species( c,1,l,1:N_GC_SPC )\n CGRID( C,1,L,N_GC_SPC+2:v ) = cmaq_species( c,1,l,N_GC_SPC+1:v-1 )\n END DO\n END DO\n\n\n ! If this run is not a restart, then check the initial conditions\n ! to make sure they are physically realistic. Check Aerosol Size \n ! Distributions and Warn the User if They Are Not Robust.\n call get_env (NEW_START, 'NEW_START', .false.)\n IF ( NEW_START ) THEN\n ALLOCATE( AECON( N_AE_SPC ) )\n SPC_STRT = AE_STRT\n SPC_FINI = AE_STRT + N_AE_SPC - 1\n LSTAT = .FALSE.\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n AECON( 1:N_AE_SPC ) = CGRID( C,R,L,SPC_STRT:SPC_FINI )\n CALL CHECK_AERO_ICBC( AECON, .FALSE., .TRUE., .FALSE., L_WRITE_WARNING, C, R, L)\n CGRID( C,R,L,SPC_STRT:SPC_FINI ) = AECON( 1:N_AE_SPC )\n IF ( STAT .GT. 0 ) THEN\n LSTAT = .TRUE.\n ENDIF\n END DO\n END DO\n END DO\n \n !Print warning if any aerosol ICs violated the size\n !distribution parameters\n IF ( LSTAT ) THEN\n WRITE( XMSG, '(A,A)' ),\n & 'Applying fix to aerosol Initial Conditions for aerosol',\n & ' modes.'\n print *, trim(xmsg)\n END IF\n END IF\n \n NREPS = 1\n#else\nC Get synchronization and advection time steps, TSTEP(2), ASTEP(L) and NREPS\n CALL ADVSTEP ( JDATE, JTIME, TSTEP, ASTEP, NREPS )\n\n IF ( MOD( TIME2SEC( JTIME ), TIME2SEC( TSTEP( 1 ) ) ) .EQ. 0 ) THEN\n DO V = 1, N_ASPCS\n S = AVG_CONC_MAP( V )\n AGRID( :,:,:,V ) = CGRID( :,:,ACONC_BLEV:ACONC_ELEV,S )\n#ifdef sens\n DO NP = 1, NPMAX\n SAGRID( :,:,:,NP,V ) = SENGRID( :,:,ACONC_BLEV:ACONC_ELEV,NP,S )\n END DO\n#endif if\n END DO\n#ifdef isam\n IF ( AISAM_ELEV .EQ. -1 ) AISAM_ELEV = NLAYS\n\n DO ITAG = 1, NTAG_SA ! average isam\n DO V = 1, NSPC_SA\n L = 0\n DO K = AISAM_BLEV, AISAM_ELEV\n L = L + 1\n DO R = 1, NROWS\n DO C = 1, NCOLS\n AISAM( C,R,L,V,ITAG ) = ISAM( C,R,K,V,ITAG )\n END DO\n END DO\n END DO\n END DO\n END DO\n#endif\n\n IF ( W_VEL )\n & AVG_WVEL( :,:,: ) = WVEL( :,:,ACONC_BLEV:ACONC_ELEV )\n IF ( L_ACONC_RH )\n & AVG_RH( :,:,: ) = MET_DATA%RH( :,:,ACONC_BLEV:ACONC_ELEV)\n IF ( L_ACONC_TA )\n & AVG_TA( :,:,: ) = MET_DATA%TA( :,:,ACONC_BLEV:ACONC_ELEV)\n IF ( L_ACONC_PRES )\n & AVG_PRES( :,:,: ) = MET_DATA%PRES( :,:,ACONC_BLEV:ACONC_ELEV )\n END IF\n#endif\n\nC Compute ELMO Values at Beginning of Main Time Step\n IF ( L_ELMO ) THEN\n IF ( JDATE .EQ. STDATE .AND. JTIME .EQ. STTIME ) THEN\n\n ! Calculate all ELMO variables for both Instantaneous and\n ! Average parameters\n CALL ELMO_DRIVER( CGRID, JDATE, JTIME, TSTEP, INIT_TIME=.TRUE.)\n ! Print Instantaneous Values at first time step\n CALL WRITE_ELMO( JDATE, JTIME, TSTEP, INIT_TIME=.TRUE. )\n\n ELSE IF ( ELMO_NSTEP .LT. 1.0 ) THEN\n ! Calculate all ELMO Variables for averaging but do not output them\n CALL ELMO_DRIVER( CGRID, JDATE, JTIME, TSTEP, INIT_TIME=.FALSE. )\n END IF\n END IF\n\nC Initialize Budget Output File and Concentration Array\n IF ( BUDGET_DIAG ) CALL BUDGET_INIT( CGRID, JDATE, JTIME, TSTEP )\n\nC science process sequence:\n \n myNREPS = myNREPS + NREPS\n\n DO IREP = 1, NREPS\n\n CALL SCIPROC ( CGRID, JDATE, JTIME, TSTEP, ASTEP )\n\n#ifndef mpas\nC Use trapezoidal rule to time-average data\n\n DO V = 1, N_ASPCS\n S = AVG_CONC_MAP( V )\n AGRID( :,:,:,V ) = AGRID( :,:,:,V )\n & + 2.0 * CGRID( :,:,ACONC_BLEV:ACONC_ELEV,S )\n#ifdef sens\n DO NP = 1, NPMAX\n SAGRID( :,:,:,NP,V ) = SAGRID( :,:,:,NP,V )\n & + 2.0 * SENGRID( :,:,ACONC_BLEV:ACONC_ELEV,NP,S )\n END DO\n#endif \n END DO\n IF ( W_VEL )\n & AVG_WVEL( :,:,: ) = AVG_WVEL + 2.0 * WVEL( :,:,ACONC_BLEV:ACONC_ELEV )\n IF ( L_ACONC_RH )\n & AVG_RH( :,:,: ) = AVG_RH + 2.0 * MET_DATA%RH( :,:,ACONC_BLEV:ACONC_ELEV )\n IF ( L_ACONC_TA )\n & AVG_TA( :,:,: ) = AVG_TA + 2.0 * MET_DATA%TA( :,:,ACONC_BLEV:ACONC_ELEV )\n IF ( L_ACONC_PRES )\n & AVG_PRES( :,:,: ) = AVG_PRES + 2.0 * MET_DATA%PRES( :,:,ACONC_BLEV:ACONC_ELEV )\n\n#ifdef isam\n ! average isam\n DO ITAG = 1, NTAG_SA\n DO V = 1, NSPC_SA\n L = 0\n DO K = AISAM_BLEV, AISAM_ELEV\n L = L + 1\n DO R = 1, NROWS\n DO C = 1, NCOLS\n AISAM( C,R,L,V,ITAG ) = AISAM( C,R,L,V,ITAG )\n & + 2.0 * ISAM( C,R,K,V,ITAG )\n END DO\n END DO\n END DO\n END DO\n END DO\n#endif\n\n#endif\n ! OUTPUT DIAGNOSTIC INFORMATION\n IF ( L_ELMO ) CALL ELMO_DRIVER( CGRID, JDATE, JTIME, TSTEP, INIT_TIME=.FALSE. )\n\n END DO\n\n#ifndef mpas\n IF ( MOD( TIME2SEC( JTIME ), TIME2SEC( TSTEP( 1 ) ) ) .EQ. 0 ) THEN\n DIVFAC = 0.5 / FLOAT( myNREPS )\n myNREPS = 0\n\n DO V = 1, N_ASPCS\n S = AVG_CONC_MAP( V )\n AGRID( :,:,:,V ) = DIVFAC * ( AGRID( :,:,:,V )\n & - CGRID( :,:,ACONC_BLEV:ACONC_ELEV,S ) )\n#ifdef sens\n DO NP = 1, NPMAX\n SAGRID( :,:,:,NP,V ) = DIVFAC * ( SAGRID( :,:,:,NP,V )\n & - SENGRID( :,:,ACONC_BLEV:ACONC_ELEV,NP,S ) )\n END DO\n#endif\n END DO\n IF ( W_VEL )\n & AVG_WVEL( :,:,: ) = DIVFAC * ( AVG_WVEL( :,:,: ) - WVEL( :,:,ACONC_BLEV:ACONC_ELEV ) )\n IF ( L_ACONC_RH )\n & AVG_RH( :,:,: ) = DIVFAC * ( AVG_RH( :,:,: ) - MET_DATA%RH( :,:,ACONC_BLEV:ACONC_ELEV ) )\n IF ( L_ACONC_TA )\n & AVG_TA( :,:,: ) = DIVFAC * ( AVG_TA - MET_DATA%TA( :,:,ACONC_BLEV:ACONC_ELEV ) )\n IF ( L_ACONC_PRES )\n & AVG_PRES( :,:,: ) = DIVFAC * ( AVG_PRES - MET_DATA%PRES( :,:,ACONC_BLEV:ACONC_ELEV ) )\n\n#ifdef isam\n DO ITAG = 1, NTAG_SA ! average isam\n DO V = 1, NSPC_SA\n L = 0\n DO K = AISAM_BLEV, AISAM_ELEV\n L = L + 1\n DO R = 1, NROWS\n DO C = 1, NCOLS\n AISAM( C,R,L,V,ITAG ) = DIVFAC * ( AISAM(C,R,L,V,ITAG )\n & - ISAM( C,R,K,V,ITAG ) )\n END DO\n END DO\n END DO\n END DO\n END DO\n#endif\n\n END IF\n\n DO V = 1, N_CSPCS\n S = CONC_MAP( V )\n SGRID( :,:,:,V ) = CGRID( :,:,CONC_BLEV:CONC_ELEV,S )\n END DO\n\nC write conc fields\n\n IF ( MOD( TIME2SEC( JTIME ), TIME2SEC( TSTEP( 1 ) ) ) .EQ. 0 ) THEN\n#ifdef parallel\n CPU_TIME_START = MPI_WTIME()\n#else\n CALL CPU_TIME( REAL_TIME )\n CPU_TIME_START = REAL( REAL_TIME,8 )\n#endif\n CALL WR_CONC ( JDATE, JTIME, TSTEP( 1 ) )\n#ifdef parallel\n IF ( LVEXT ) CALL WR_VEXT ( CGRID, JDATE, JTIME, TSTEP( 1 ) )\n#endif\n CALL WR_ACONC ( AGRID, JDATE, JTIME, TSTEP( 1 ) )\n#ifdef isam\n CALL WR_SA ( JDATE, JTIME, TSTEP, 1 )\n CALL WR_AVG_SA ( JDATE, JTIME, TSTEP( 1 ) )\n#endif\n\n#ifdef sens\n CALL WR_ASENS ( JDATE, JTIME, TSTEP( 1 ) )\n#endif\n IF ( L_ELMO ) CALL WRITE_ELMO( JDATE, JTIME, TSTEP, INIT_TIME=.FALSE. )\n\n IF ( LIPR .OR. LIRR ) CALL PA_OUTPUT ( CGRID, JDATE, JTIME )\n IF ( BUDGET_DIAG ) CALL WRITE_BUDGET ( CGRID, JDATE, JTIME, TSTEP )\n IF ( PRINT_PROC_TIME ) CALL TIMING_SPLIT ( CPU_TIME_START, 3 )\n \n END IF\n\n#ifdef twoway\n IF ( SD_TIME_SERIES ) THEN\n CALL OUTPUT_SD_TIME_SERIES ( CGRID, JDATE, JTIME )\n END IF\n#endif\n\n#else\n CALL UNLOAD_CGRID (CGRID)\n#endif\n\n IF ( LAST_STEP ) THEN\n#ifdef mpas\n call mio_shutdown()\n#else\nC write CGRID state file for subsequent runs\n CALL WR_CGRID ( CGRID, JDATE, JTIME, TSTEP( 1 ) )\n#ifdef isam\n CALL WR_SA_CGRID ( JDATE, JTIME, TSTEP( 1 ) )\n#endif\n#ifdef sens\n CALL WR_SENGRID ( JDATE, JTIME, TSTEP( 1 ) )\n#endif\n\nC Shut down IOAPI\n IF ( SHUT3() ) THEN\n WRITE( LOGDEV, * )\n CALL LOG_HEADING( LOGDEV, 'Program Completed Successfully' )\n WRITE( XMSG, '(A,A,A,I7,A,I6.6,A)' ) 'Date and time ',\n & DT2STR( JDATE, JTIME ), ' (',JDATE,':',JTIME,')' \n CALL LOG_MESSAGE( LOGDEV, XMSG ) \n\n IF ( MYPE .EQ. 0 ) WRITE( OUTDEV, * )\n IF ( MYPE .EQ. 0 ) CALL LOG_HEADING( OUTDEV, 'Program Completed Successfully' )\n IF ( MYPE .EQ. 0 ) CALL LOG_MESSAGE( OUTDEV, XMSG )\n ELSE\n CALL LOG_MESSAGE( LOGDEV, ' *** FATAL ERROR shutting down Models-3 I/O *** ' )\n END IF\n#endif\n END IF\n\n END SUBROUTINE CMAQ_DRIVER\n" }, { "path": "CCTM/src/driver/hveloc.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE HVELOC ( JDATE, JTIME, TSTEP, UWIND, VWIND, HDIV )\n \nC-----------------------------------------------------------------------\nC Function:\nC This subroutine reads physical velocities in the x1 and x2 directions\nC and returns the contravariant velocities and the horizontal divergence\n \nC Preconditions:\nC This routine can be used only for conformal map coordinates \nC in the horizontal.\nC Dates and times should be represented YYYYDDD:HHMMSS.\n \nC Subroutines and functions called:\nC INTERPX, INTERPB, M3EXIT, TIME2SEC, SEC2TIME, NEXTIME\n \nC Revision history:\nC January 30, 1996 by Clint L. Ingram at NCSC: created for\nC RADM-coordinates\n\nC 22 Apr 97 Jeff:\nC 7 Aug 97 Jeff: for NTHIK = 1\nC 4 Feb 98 Jeff: deal with end-of-scenario\nC 20 Sep 98 David Wong: parallelized the code\nC -- adjust the data declaration for DENSJ\nC -- remove indirect index reference, and re-adapt to\nC a general case\nC -- invoke stencil exchange library\nC 21 Nov 00 J.Young: PE_COMM3 -> Dave Wong's f90 stenex COMM\nC 30 Mar 01 J.Young: dyn alloc - Use HGRD_DEFN; replace INTERP3 with INTERPX\nC 6 Apr 01 J.Young: Eliminate NTHIN confusion (assumes NTHIK = 1)\nC 12 Apr 01 J.Young: Use PINTERPB for boundary data\nC 23 Jun 03 J.Young: for layer dependent advection tstep\nC 31 Jan 05 J.Young: dyn alloc - establish both horizontal & vertical\nC domain specifications in one module\nC 15 Mar 10 J.Young: revert back to 3D arrays and calculate the horiz. div.\nC (similar to the deform.F code)\nC 16 Feb 11 S.Roselle: replaced I/O API include files with UTILIO_DEFN\nC 11 May 11 D.Wong: incorporated twoway model implementation\nC 28 Jul 11 David Wong: set REVERT to .false. for twoway model case since\nC buffered file has only two time steps data\nC 01 Feb 19 David Wong: Implemented centralized I/O approach, removed all MY_N\nC clauses\nC-----------------------------------------------------------------------\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE UTILIO_DEFN\n#ifndef mpas\n#ifdef parallel\n USE SE_MODULES ! stenex (using SE_COMM_MODULE)\n#else\n USE NOOP_MODULES ! stenex (using NOOP_COMM_MODULE)\n#endif\n#endif\n USE CENTRALIZED_IO_MODULE, only : interpolate_var, window\n! & STRTCOLMC2, ENDCOLMC2, STRTROWMC2, ENDROWMC2\n\n\n IMPLICIT NONE\n\nC Includes:\n INCLUDE SUBST_FILES_ID ! file name parameters\n INCLUDE SUBST_CONST ! constants\n INCLUDE SUBST_PE_COMM ! PE communication displacement and direction\n \nC Parameters\n \nC Arguments:\n INTEGER, INTENT( IN ) :: JDATE ! current model date, coded YYYYDDD\n INTEGER, INTENT( IN ) :: JTIME ! current model time, coded HHMMSS\n INTEGER, INTENT( IN ) :: TSTEP ! time step (HHMMSS)\n! REAL WIND( NCOLS+1,NROWS+1 ) ! CX xi-velocity \n REAL, INTENT( OUT ) :: UWIND( :,:,: ) ! CX xi-velocity \n REAL, INTENT( OUT ) :: VWIND( :,:,: ) ! CX yi-velocity \n REAL, INTENT( OUT ) :: HDIV ( :,:,: ) ! horizontal divergence\n \nC file variables:\n! REAL DENSJ_BUF( NCOLS,NROWS,NLAYS ) ! Jacobian * air density\n! REAL DENSJ_BND( NBNDY,NLAYS ) ! bndy Jacobian * air density\n! REAL DENSJ( 0:NCOLS+1,0:NROWS+1,NLAYS )\n REAL, ALLOCATABLE, SAVE :: DENSJ_BUF( :,:,: ) ! Jacobian * air density\n REAL, ALLOCATABLE, SAVE :: DENSJ_BND( :,: ) ! bndy Jacobian * air density\n REAL, ALLOCATABLE, SAVE :: DENSJ( :,:,: ) ! Jacobian * air density\n \nC External Functions:\n\nC local variables:\n \n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n \n INTEGER MDATE ! mid-advection date\n INTEGER MTIME ! mid-advection time\n INTEGER STEP ! advection time step in seconds\n INTEGER, SAVE :: LDATE( 3 ) ! last date for data on file\n INTEGER, SAVE :: LTIME( 3 ) ! last time for data on file\n LOGICAL REVERT ! recover last time step if true\n REAL DJ ! temporary Jacobian * air density\n REAL :: DX1, DX2 ! X1 & X2 grid size\n REAL, SAVE :: RDX1, RDX2 ! inverse of DX1 & DX2\n\n INTEGER C, C1, R, R1, L ! induction variables\n INTEGER BND ! cell index for constructing density array.\n INTEGER ALLOCSTAT\n \n CHARACTER( 16 ) :: VNAME\n CHARACTER( 16 ) :: PNAME = 'HVELOC'\n CHARACTER( 16 ) :: AMSG\n CHARACTER( 96 ) :: XMSG = ' '\n \n CHARACTER( 8 ), SAVE :: COMMSTR\n\n! INTEGER :: NCOLSDENS, NROWSDENS ! local for DENSJ_BUF\nC for INTERPX\n! INTEGER, SAVE :: STRTCOL, ENDCOL, STRTROW, ENDROW\n! INTEGER :: STRTCOLMC, ENDCOLMC, STRTROWMC, ENDROWMC\n! INTEGER, SAVE :: STRTCOLMD, ENDCOLMD, STRTROWMD, ENDROWMD\n\nC-----------------------------------------------------------------------\n\n#ifndef mpas\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n\n CALL LSTEPF( MET_CRO_3D, LDATE( 1 ), LTIME( 1 ) )\n! CALL LSTEPF( MET_BDY_3D, LDATE( 2 ), LTIME( 2 ) )\n CALL LSTEPF( MET_DOT_3D, LDATE( 3 ), LTIME( 3 ) )\n \n! LDATE( 1 ) = MIN( LDATE( 1 ), LDATE( 2 ), LDATE( 3 ) )\n! LTIME( 1 ) = SEC2TIME( MIN(\n! & TIME2SEC( LTIME( 1 ) ),\n! & TIME2SEC( LTIME( 2 ) ),\n! & TIME2SEC( LTIME( 3 ) )\n! & ) )\n\n LDATE( 1 ) = MIN( LDATE( 1 ), LDATE( 3 ) )\n LTIME( 1 ) = SEC2TIME( MIN(\n & TIME2SEC( LTIME( 1 ) ),\n & TIME2SEC( LTIME( 3 ) )\n & ) )\n\n WRITE( COMMSTR,'(4I2)' ) 1, 1-NTHIK, 2, 1-NTHIK ! ' 1 0 2 0'\n\nC Get/compute DX1 & DX2\n\n IF ( GDTYP_GD .EQ. LATGRD3 ) THEN\n DX1 = DG2M * XCELL_GD ! in m.\n DX2 = DG2M * YCELL_GD *\n & COS( PI180*( YORIG_GD + YCELL_GD * FLOAT( GL_NROWS/2 ))) !in m\n ELSE\n DX1 = XCELL_GD ! in m.\n DX2 = YCELL_GD ! in m.\n END IF\n\n RDX1 = 1.0 / DX1\n RDX2 = 1.0 / DX2\n\n ALLOCATE ( DENSJ( 0:NCOLS+1,0:NROWS+1,NLAYS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating DENSJ'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n IF ( .NOT. WINDOW ) THEN\n\n ALLOCATE ( DENSJ_BUF( ncols, nrows, NLAYS ),STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating DENSJ_BUF'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n ALLOCATE ( DENSJ_BND( NBNDY,NLAYS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating DENSJ_BND'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n END IF\n\n END IF ! if firstime\n \n MDATE = JDATE\n MTIME = JTIME\n STEP = TIME2SEC( TSTEP )\n CALL NEXTIME( MDATE, MTIME, SEC2TIME( STEP / 2 ) )\n\n#ifdef twoway\n REVERT = .FALSE.\n#else\n IF ( MDATE .LT. LDATE( 1 ) ) THEN\n REVERT = .FALSE.\n ELSE IF ( MDATE .EQ. LDATE( 1 ) ) THEN\n IF ( MTIME .LE. LTIME( 1 ) ) THEN\n REVERT = .FALSE.\n ELSE\n REVERT = .TRUE.\n END IF\n ELSE ! MDATE .GT. LDATE\n REVERT = .TRUE.\n END IF\n#endif\n \n IF ( REVERT ) THEN\n XMSG = 'Current scenario interpolation step not available in all of '\n & // TRIM( MET_CRO_3D ) // ', '\n & // TRIM( MET_BDY_3D ) // ' and '\n & // TRIM( MET_DOT_3D )\n CALL M3MESG( XMSG )\n WRITE( AMSG,'( 2I8 )' ) LDATE( 1 ), LTIME( 1 )\n XMSG = 'Using data for last file step: ' // TRIM( AMSG )\n CALL M3MESG( XMSG )\n MDATE = LDATE( 1 )\n MTIME = LTIME( 1 )\n END IF\n \nC Interpolate Jacobian X Air Density\n \n IF ( WINDOW ) THEN\n\n call interpolate_var ('DENSA_J', mdate, mtime, DENSJ)\n\n ELSE ! need to extend data from bndy file\n\n call interpolate_var ('DENSA_J', mdate, mtime, DENSJ_BUF)\n\n call interpolate_var ('DENSA_J', mdate, mtime, DENSJ_BND, 'b')\n\nC Load DENSJ array\n\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n DENSJ( C,R,L ) = DENSJ_BUF( C,R,L )\n END DO\n END DO\n END DO\n\nC Fill in DENSJ array for boundaries\n\n DO L = 1, NLAYS\n BND = 0\n DO R = 0, 0\n DO C = 1, NCOLS+1\n BND = BND + 1\n DENSJ( C,R,L ) = DENSJ_BND( BND,L ) ! South\n END DO\n END DO\n DO R = 1, NROWS+1\n DO C = NCOLS+1, NCOLS+1\n BND = BND + 1\n DENSJ( C,R,L ) = DENSJ_BND( BND,L ) ! East\n END DO\n END DO\n DO R = NROWS+1, NROWS+1\n DO C = 0, NCOLS\n BND = BND + 1\n DENSJ( C,R,L ) = DENSJ_BND( BND,L ) ! North\n END DO\n END DO\n DO R = 0, NROWS\n DO C = 0, 0\n BND = BND + 1\n DENSJ( C,R,L ) = DENSJ_BND( BND,L ) ! West\n END DO\n END DO\n END DO\n\n END IF ! WINDOW\n\nC Interpolate Contravariant Velocity components (already at flux points)\nC X Jacobian X Air Density\n\n call interpolate_var ('UHAT_JD', mdate, mtime, UWIND)\n\n call interpolate_var ('VHAT_JD', mdate, mtime, VWIND)\n\nC Obtain flux point values of Jacobian * air density and retrieve\nC contravariant velocities \n\nC store actual north, east, south, and west displacement\nC define communication pattern\n\n CALL SUBST_COMM ( DENSJ, DSPL_N0_E0_S0_W1, DRCN_W, COMMSTR )\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS+1\n DJ = 0.5 * ( DENSJ( C,R,L ) + DENSJ( C-1,R,L ) )\n UWIND( C,R,L ) = UWIND( C,R,L ) / DJ\n END DO\n END DO\n END DO\n\nC store actual north, east, south, and west displacement\nC define communication pattern\n\n CALL SUBST_COMM ( DENSJ, DSPL_N0_E0_S1_W0, DRCN_S, COMMSTR )\n DO L = 1, NLAYS\n DO R = 1, NROWS+1\n DO C = 1, NCOLS\n DJ = 0.5 * ( DENSJ( C,R,L ) + DENSJ( C,R-1,L ) )\n VWIND( C,R,L ) = VWIND( C,R,L ) / DJ\n END DO\n END DO\n END DO\n\nC Compute horizontal divergence\n\n CALL SUBST_COMM ( UWIND, DSPL_N0_E1_S0_W0, DRCN_E_W )\n CALL SUBST_COMM ( VWIND, DSPL_N1_E0_S0_W0, DRCN_N_S )\n\n DO L = 1, NLAYS\n DO R = 1, NROWS\n R1 = R + 1\n DO C = 1, NCOLS\n C1 = C + 1\n HDIV( C,R,L ) = ( UWIND( C1,R,L ) - UWIND( C,R,L ) ) * RDX1\n & + ( VWIND( C,R1,L ) - VWIND( C,R,L ) ) * RDX2\n END DO\n END DO\n END DO\n#endif\n\n RETURN\n END\n" }, { "path": "CCTM/src/driver/sciproc.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE SCIPROC ( CGRID, JDATE, JTIME, TSTEP, ASTEP )\n\nC-----------------------------------------------------------------------\nC Function:\nC Controls all of the physical and chemical processes for a grid\nC Operator splitting symmetric around chemistry\n \nC Preconditions:\nC Dates and times represented YYYYDDD:HHMMSS.\nC No \"skipped\" dates and times. All boundary input variables (layered or\nC non-layered) have the same perimeter structure with a thickness of NTHIK\n \nC Subroutines and functions called:\nC All physical and chemical subroutines, \nC DECOUPLE, COUPLE\n \nC Revision History:\nC Oct. 24, 1995 by M. Talat Odman and Clint L. Ingram at NCSC: created\nC 13 Dec 97 - Jeff - uncouple diffusion processes\nC 27 Jun 98 - Jeff - sync step = chem step\nC 7 Jul 01 - Shawn - mv cloud processing before chem\nC Jan 02 - Jeff - dyn alloc; remove PCGRID argument to ping\nC 23 Jun 03 J.Young: for layer dependent advection tstep\nC 18 Aug 03 J. Pleim - move vdiff before advection\nC 29 Aug 03 J.Young: eliminate symmetric processing option and unused\nC SUBST_GRID_ID string\nC 30 May 05 J.Young: mass-conserving advection (yamo)\nC 7 Jul 07 J.Young: No cksummer call after HADV - delay possible truncation of\nC HADV negative conc's until after ZADV\nC 25 Jul 08 S.Roselle: removed PING from modeled processes\nC 16 Feb 11 S.Roselle: replaced I/O API include files with UTILIO_DEFN\nC 11 May 11 D.Wong: incorporated twoway model implementation\nC 25 Mar 16 R.Mathur: incorporated pot. vorticity strat. O3 scaling\nC 16 Sep 16 J.Young: update for inline procan (IPR)\nC 10 July 19 F. Sidi: Renamed Couple_WRF to be couple\nC-----------------------------------------------------------------------\n\n USE UTILIO_DEFN\n USE RUNTIME_VARS, ONLY: LOGDEV, OUTDEV, MYPE, CKSUM, \n & PRINT_PROC_TIME, WEEKDAY, \n & LOG_MESSAGE, TIMING_SPLIT, STM,\n & COLUMN_MODEL, LPVO3\n#ifndef mpas\n#ifdef parallel\n USE SE_MODULES ! stenex (using SE_UTIL_MODULE)\n#else\n USE NOOP_MODULES ! stenex (using NOOP_UTIL_MODULE)\n#endif\n USE PA_UPDATE\n#endif\n USE PA_DEFN, Only: LIPR, IPR_VDIF, IPR_ZADV, IPR_HDIF, IPR_CLDS, \n & IPR_CHEM, IPR_PVO3,\n & BUDGET_DIAG ! Process Analysis control and data variables\n#ifdef isam\n USE SA_DEFN, Only: ISAM\n USE GRID_CONF\n USE CGRID_SPCS, ONLY: NSPCSD\n#endif\n\n USE STM_MODULE, ONLY: STM_WRAP_GAS, STM_WRAP_AE\n\n IMPLICIT NONE \n\n#ifdef parallel\n INCLUDE 'mpif.h'\n#endif\nC Arguments:\n REAL, POINTER :: CGRID( :,:,:,: )\n\n INTEGER, INTENT(INOUT) :: JDATE ! current model date, coded YYYYDDD\n INTEGER, INTENT(INOUT) :: JTIME ! current model time, coded HHMMSS\n INTEGER, INTENT(IN) :: TSTEP( 3 ) ! time step vector (HHMMSS)\n ! TSTEP(1) = local output step\n ! TSTEP(2) = sciproc sync. step (chem)\n ! TSTEP(3) = twoway model time step w.r.t. wrf time\n ! step and wrf/cmaq call frequency\n\n INTEGER, INTENT(IN) :: ASTEP( : ) ! layer advection time step\n\nC Local Variables:\n\n CHARACTER( 16 ) :: PNAME = 'SCIPROC'\n CHARACTER( 120 ) :: XMSG = ' '\n CHARACTER( 36 ) :: NMSG = 'After NEXTIME: returned JDATE, JTIME'\n\n INTEGER :: SDATE ! current science process date, coded YYYYDDD\n INTEGER :: STIME ! current science process time, coded HHMMSS\n \n REAL :: REAL_TIME\n\n REAL( 8 ) :: CPU_TIME_START ! Timing individual\n REAL( 8 ) :: CPU_TIME_START_MASTER\n CHARACTER( 24 ) :: CDATE_TIME\n\n#ifdef isam\n REAL, ALLOCATABLE, SAVE :: CGRID0( :,:,:,: )\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n#endif\n INTERFACE\n SUBROUTINE CKSUMMER ( PNAME, CGRID, JDATE, JTIME )\n CHARACTER( * ), INTENT( IN ) :: PNAME\n REAL, POINTER :: CGRID( :,:,:,: )\n INTEGER, INTENT( IN ) :: JDATE, JTIME\n END SUBROUTINE CKSUMMER\n#ifndef mpas\n SUBROUTINE HADV ( CGRID, JDATE, JTIME, TSTEP, ASTEP )\n REAL, POINTER :: CGRID( :,:,:,: )\n INTEGER, INTENT( IN ) :: JDATE, JTIME\n INTEGER, INTENT( IN ) :: TSTEP( 3 )\n INTEGER, INTENT( IN ) :: ASTEP( : )\n END SUBROUTINE HADV\n SUBROUTINE ZADV ( CGRID, JDATE, JTIME, TSTEP )\n REAL, POINTER :: CGRID( :,:,:,: )\n INTEGER, INTENT( IN ) :: JDATE, JTIME\n INTEGER, INTENT( IN ) :: TSTEP( 3 )\n END SUBROUTINE ZADV\n SUBROUTINE COUPLE ( CGRID, JDATE, JTIME, TSTEP )\n REAL, POINTER :: CGRID( :,:,:,: )\n INTEGER, INTENT( IN ) :: JDATE, JTIME\n INTEGER, INTENT( IN ) :: TSTEP( 3 )\n END SUBROUTINE COUPLE\n SUBROUTINE DECOUPLE ( CGRID, JDATE, JTIME, TSTEP )\n REAL, POINTER :: CGRID( :,:,:,: )\n INTEGER, INTENT( IN ) :: JDATE, JTIME\n INTEGER, INTENT( IN ) :: TSTEP( 3 )\n END SUBROUTINE DECOUPLE\n SUBROUTINE HDIFF ( CGRID, JDATE, JTIME, TSTEP )\n REAL, POINTER :: CGRID( :,:,:,: )\n INTEGER, INTENT( IN ) :: JDATE, JTIME\n INTEGER, INTENT( IN ) :: TSTEP( 3 )\n END SUBROUTINE HDIFF\n#endif\n SUBROUTINE VDIFF ( CGRID, JDATE, JTIME, TSTEP )\n REAL, POINTER :: CGRID( :,:,:,: )\n INTEGER, INTENT( IN ) :: JDATE, JTIME\n INTEGER, INTENT( IN ) :: TSTEP( 3 )\n END SUBROUTINE VDIFF\n SUBROUTINE PHOT ( CGRID, JDATE, JTIME, TSTEP )\n REAL, POINTER :: CGRID( :,:,:,: )\n INTEGER, INTENT( IN ) :: JDATE, JTIME\n INTEGER, INTENT( IN ) :: TSTEP( : )\n END SUBROUTINE PHOT\n SUBROUTINE CLDPROC ( CGRID, JDATE, JTIME, TSTEP )\n REAL, POINTER :: CGRID( :,:,:,: )\n INTEGER, INTENT( IN ) :: JDATE, JTIME\n INTEGER, INTENT( IN ) :: TSTEP( 3 )\n END SUBROUTINE CLDPROC\n SUBROUTINE CHEM ( CGRID, JDATE, JTIME, TSTEP )\n REAL, POINTER :: CGRID( :,:,:,: )\n INTEGER, INTENT( IN ) :: JDATE, JTIME\n INTEGER, INTENT( IN ) :: TSTEP( 3 )\n END SUBROUTINE CHEM\n SUBROUTINE PVO3 ( CGRID, JDATE, JTIME )\n IMPLICIT NONE\n REAL, POINTER :: CGRID( :,:,:,: )\n INTEGER, INTENT( IN ) :: JDATE, JTIME\n END SUBROUTINE PVO3\n SUBROUTINE AERO ( CGRID, JDATE, JTIME, TSTEP )\n REAL, POINTER :: CGRID( :,:,:,: )\n INTEGER, INTENT( IN ) :: JDATE, JTIME\n INTEGER, INTENT( IN ) :: TSTEP( 3 )\n END SUBROUTINE AERO\n#ifdef isam\n SUBROUTINE SA_WRAP_AE( CGRID0, CGRID, JDATE, JTIME, TSTEP )\n IMPLICIT NONE\n REAL :: CGRID0( :,:,:,: )\n REAL, POINTER :: CGRID( :,:,:,: )\n INTEGER, INTENT( IN ) :: JDATE\n INTEGER, INTENT( IN ) :: JTIME\n INTEGER, INTENT( IN ) :: TSTEP( 3 )\n END SUBROUTINE SA_WRAP_AE\n#endif\n END INTERFACE\n \nC-----------------------------------------------------------------------\n#ifdef isam\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n ALLOCATE( CGRID0( NCOLS,NROWS,NLAYS,NSPCSD ) )\n END IF\n#endif\n\n ! Calculate and Write Time Step Information to Summary Logfile\n IF ( MYPE .EQ. 0 ) WRITE( OUTDEV, * ) \n WRITE( LOGDEV, * )\n\n#ifdef parallel\n CPU_TIME_START = MPI_WTIME()\n#else\n CALL CPU_TIME( REAL_TIME )\n CPU_TIME_START = REAL( REAL_TIME,8 )\n#endif\n CPU_TIME_START_MASTER = CPU_TIME_START\n WRITE( XMSG, '(A,I7.7,A,I6.6)' ), 'Processing Day/Time [YYYYDDD:HHMMSS]: ',JDATE, \n & ':',JTIME\n IF ( MYPE .EQ. 0 ) CALL LOG_MESSAGE( OUTDEV, XMSG )\n CALL LOG_MESSAGE( LOGDEV, XMSG )\n\n CDATE_TIME = DT2STR( JDATE, JTIME )\n WRITE( XMSG, '(2x,6A)' ), 'Which is Equivalent to (UTC): ',\n & CDATE_TIME(1:8),' ',TRIM( WEEKDAY( WKDAY( JDATE ) ) ),\n & ',', CDATE_TIME(9:)\n IF ( MYPE .EQ. 0 ) CALL LOG_MESSAGE( OUTDEV, XMSG )\n CALL LOG_MESSAGE( LOGDEV, XMSG )\n\n WRITE( XMSG, '(2x,A,I6.6)' ), 'Time-Step Length (HHMMSS): ',TSTEP(2) \n IF ( MYPE .EQ. 0 ) CALL LOG_MESSAGE( OUTDEV, XMSG )\n CALL LOG_MESSAGE( LOGDEV, XMSG )\n\n ! Calculate Vertical Diffusion, Dry Deposition, and Emissions\n CALL VDIFF ( CGRID, JDATE, JTIME, TSTEP )\n IF ( CKSUM ) CALL CKSUMMER ( 'VDIFF', CGRID, JDATE, JTIME )\n#ifndef mpas\n IF ( BUDGET_DIAG .OR. LIPR ) CALL PA_UPDATE_PROC ( IPR_VDIF, CGRID, JDATE, JTIME, TSTEP, .FALSE. )\n#endif\n IF ( PRINT_PROC_TIME ) CALL TIMING_SPLIT ( CPU_TIME_START, 1, 'VDIFF' )\n\n ! Save time at end of the current time-step in SDATE and STIME\n SDATE = JDATE\n STIME = JTIME\n CALL NEXTIME ( SDATE, STIME, TSTEP( 2 ) )\n\n IF ( .NOT. COLUMN_MODEL ) THEN\n ! Calculate Horizontal Transport\n ! couple CGRID for advection and horizontal diffusion\n ! The COUPLE routine converts aerosol mass from ug/m3 to kg/m3. The \n ! DECOUPLE routine converts it back to ug/m3.\n\n#ifndef mpas\n CALL COUPLE ( CGRID, JDATE, JTIME, TSTEP )\n IF ( CKSUM ) CALL CKSUMMER ( 'COUPLE', CGRID, JDATE, JTIME )\n IF ( BUDGET_DIAG .OR. LIPR ) CALL PA_UPDATE_PROC ( IPR_ZADV, CGRID, JDATE, JTIME, TSTEP, .TRUE. )\n IF ( PRINT_PROC_TIME ) CALL TIMING_SPLIT ( CPU_TIME_START, 1, 'COUPLE' )\n\n CALL SUBST_BARRIER()\n CALL HADV ( CGRID, JDATE, JTIME, TSTEP, ASTEP )\n IF ( CKSUM ) CALL CKSUMMER ( 'HADV', CGRID, JDATE, JTIME )\n IF ( BUDGET_DIAG .OR. LIPR ) CALL PA_UPDATE_HADV ( CGRID, JDATE, JTIME, TSTEP )\n IF ( PRINT_PROC_TIME ) CALL TIMING_SPLIT ( CPU_TIME_START, 1, 'HADV' )\n \n CALL ZADV ( CGRID, JDATE, JTIME, TSTEP )\n IF ( CKSUM ) CALL CKSUMMER ( 'ADV', CGRID, JDATE, JTIME )\n IF ( BUDGET_DIAG .OR. LIPR ) CALL PA_UPDATE_PROC ( IPR_ZADV, CGRID, JDATE, JTIME, TSTEP, .TRUE. )\n IF ( PRINT_PROC_TIME ) CALL TIMING_SPLIT ( CPU_TIME_START, 1, 'ZADV' )\n \n CALL HDIFF ( CGRID, JDATE, JTIME, TSTEP )\n IF ( CKSUM ) CALL CKSUMMER ( 'HDIFF', CGRID, JDATE, JTIME )\n IF ( BUDGET_DIAG .OR. LIPR ) CALL PA_UPDATE_PROC ( IPR_HDIF, CGRID, JDATE, JTIME, TSTEP, .TRUE. )\n IF ( PRINT_PROC_TIME ) CALL TIMING_SPLIT ( CPU_TIME_START, 1, 'HDIFF' )\n#endif\n\n#ifndef mpas\n ! Decouple CGRID for cloud and chemistry corresponding to conditions\n ! at the end of the time step (i.e. SDATE, STIME)\n CALL DECOUPLE ( CGRID, SDATE, STIME, TSTEP )\n IF ( CKSUM ) CALL CKSUMMER ( 'DECOUPLE', CGRID, JDATE, JTIME )\n IF ( PRINT_PROC_TIME ) CALL TIMING_SPLIT ( CPU_TIME_START, 1, 'DECOUPLE' )\n IF ( BUDGET_DIAG .OR. LIPR ) CALL PA_UPDATE_PROC ( IPR_ZADV, CGRID, SDATE, STIME, TSTEP, .FALSE. )\n#endif\n\n END IF ! Not Column Model\n \n ! Calculate Photolysis Rates\n CALL PHOT ( CGRID, JDATE, JTIME, TSTEP )\n IF ( CKSUM ) CALL CKSUMMER ( 'PHOT', CGRID, JDATE, JTIME )\n IF ( PRINT_PROC_TIME ) CALL TIMING_SPLIT ( CPU_TIME_START, 1, 'PHOT' )\n\n ! Calculate Cloud Scavening and Chemistry\n CALL CLDPROC ( CGRID, JDATE, JTIME, TSTEP )\n IF ( CKSUM ) CALL CKSUMMER ( 'CLDPROC', CGRID, JDATE, JTIME )\n#ifndef mpas\n IF ( BUDGET_DIAG .OR. LIPR ) CALL PA_UPDATE_PROC ( IPR_CLDS, CGRID, SDATE, STIME, TSTEP, .FALSE. )\n#endif\n IF ( PRINT_PROC_TIME ) CALL TIMING_SPLIT ( CPU_TIME_START, 1, 'CLDPROC' )\n\n ! Calculate Gas- and Particle-Phase Chemistry\n IF ( STM ) CALL STM_WRAP_GAS ( CGRID, JDATE, JTIME, .TRUE. )\n CALL CHEM ( CGRID, JDATE, JTIME, TSTEP )\n IF ( CKSUM ) CALL CKSUMMER ( 'CHEM', CGRID, JDATE, JTIME )\n#ifndef mpas\n IF ( BUDGET_DIAG .OR. LIPR ) CALL PA_UPDATE_PROC ( IPR_CHEM, CGRID, SDATE, STIME, TSTEP, .FALSE. ) \n#endif\n IF ( STM ) CALL STM_WRAP_GAS ( CGRID, JDATE, JTIME, .FALSE. )\n IF ( PRINT_PROC_TIME ) CALL TIMING_SPLIT ( CPU_TIME_START, 1, 'CHEM' )\n\n IF ( LPVO3 ) THEN\n CALL PVO3 ( CGRID, JDATE, JTIME )\n IF ( CKSUM ) CALL CKSUMMER ( 'PVO3', CGRID, JDATE, JTIME )\n#ifndef mpas\n IF ( BUDGET_DIAG .OR. LIPR ) CALL PA_UPDATE_PROC ( IPR_PVO3, CGRID, SDATE, STIME, TSTEP, .FALSE. )\n#endif\n IF ( PRINT_PROC_TIME ) CALL TIMING_SPLIT ( CPU_TIME_START, 1, 'PVO3' )\n END IF\n\n#ifdef isam\n ! Save ISAM concentration field to use for apportioning\n ! aerosols and semivolatile gases after AERO is called\n CGRID0 = CGRID\n#endif\n\n ! Calculate Aerosol Microphysics\n CALL AERO ( CGRID, JDATE, JTIME, TSTEP )\n#ifdef isam\n CALL SA_WRAP_AE( CGRID0, CGRID, JDATE, JTIME, TSTEP )\n#endif\n IF ( CKSUM ) CALL CKSUMMER ( 'AERO', CGRID, JDATE, JTIME )\n IF ( STM ) CALL STM_WRAP_AE ( CGRID, JDATE, JTIME )\n#ifndef mpas\n IF ( BUDGET_DIAG .OR. LIPR ) CALL PA_UPDATE_AERO ( CGRID, SDATE, STIME )\n#endif\n IF ( PRINT_PROC_TIME ) CALL TIMING_SPLIT ( CPU_TIME_START, 1, 'AERO' )\n\n ! Advance Time Step\n CALL NEXTIME ( JDATE, JTIME, TSTEP( 2 ) )\n WRITE( LOGDEV,'(/ 5X, A, I8, I7.6)' ) NMSG, JDATE, JTIME\n\n ! Print Summary Timing for Master time step \n CALL TIMING_SPLIT ( CPU_TIME_START_MASTER, 2 )\n\n1002 FORMAT ( 2x, A15, ' completed... ', F6.1, ' seconds' )\n\n RETURN\n END\n" }, { "path": "CCTM/src/driver/wr_aconc.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE WR_ACONC ( AGRID, JDATE, JTIME, TSTEP )\n\nC Revision History:\nC Jeff - July 01\nC Note: If previous A_CONC exists, check that user hasn't changed what\nC species/layers to save (or domain).\nC 30 Mar 01 J.Young: dyn alloc - Use HGRD_DEFN\nC 31 Jan 05 J.Young: dyn alloc - establish both horizontal & vertical\nC domain specifications in one module\nC 16 Feb 11 S.Roselle: replaced I/O API include files with UTILIO_DEFN;\nC removed deprecated TRIMLEN\nC 20 Jul 11 J.Young: added option for ending time timestamp\nC 12 Aug 15 D.Wong: Extracted section of code that deals with creating\nC A_CONC_1 and put it in opaconc.F\nC Added a section of code to allow non IO processors\nC to open A_CONC_1\nC 19 May 16 D.Wong: renamed ACONC_END_TIME to AVG_FILE_ENDTIME\nC 27 Mar 17 D.Wong: removed redundant parallel_io ifdef construct\nC 09 Sep 19 F. Sidi: Replaced L_ACONC_WVEL(depreciated) with W_VEL\nC-----------------------------------------------------------------------\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE AVG_CONC ! integral average CONC\n USE UTILIO_DEFN\n USE RUNTIME_VARS\n#ifndef mpas\n#ifdef parallel\n USE SE_MODULES ! stenex (using SE_UTIL_MODULE)\n#else\n USE NOOP_MODULES ! stenex (using NOOP_UTIL_MODULE)\n#endif\n#endif\n\n IMPLICIT NONE\n\nC Include Files:\n\n INCLUDE SUBST_FILES_ID ! file name parameters\n\n REAL :: AGRID( :,:,:,: )\n INTEGER JDATE ! current model date, coded YYYYDDD\n INTEGER JTIME ! current model time, coded HHMMSS\n INTEGER TSTEP ! output timestep (HHMMSS)\n\nC Local variables:\n\n INTEGER MDATE ! modified model date, coded YYYYDDD\n INTEGER MTIME ! modified model time, coded HHMMSS\n\n CHARACTER( 16 ) :: PNAME = 'WR_ACONC'\n CHARACTER( 96 ) :: XMSG = ' '\n\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n LOGICAL OK\n\n INTEGER L, K, VAR, SPC ! loop counters\n INTEGER STATUS\n\nC-----------------------------------------------------------------------\n\nC Change output date/time to starting date/time - e.g. timestamp 1995196:090000\nC represents data computed from time 1995196:090000 to 1995196:100000\n\n#ifndef mpas\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n\nC Override default beginning time timestamp for ACONC?\n IF ( .NOT. IO_PE_INCLUSIVE ) THEN\n IF ( .NOT. OPEN3( A_CONC_1, FSREAD3, PNAME ) ) THEN\n XMSG = 'Could not open ' // A_CONC_1 // ' file for update'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END IF\n\n END IF\n\n IF ( END_TIME ) THEN ! ending time timestamp\n MDATE = JDATE; MTIME = JTIME\n ELSE ! beginning time timestamp\n MDATE = JDATE; MTIME = JTIME\n CALL NEXTIME ( MDATE, MTIME, -TSTEP )\n END IF\n\n VAR = 0\n \n DO SPC = 1, N_A_GC_SPC\n VAR = VAR + 1\n\n IF ( .NOT. WRITE3( A_CONC_1, A_GC_SPC( SPC ),\n & MDATE, MTIME, AGRID( :,:,:,VAR ) ) ) THEN\n XMSG = 'Could not write '\n & // TRIM( A_GC_SPC( SPC ) )\n & // ' to ' // A_CONC_1\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n END DO\n \n DO SPC = 1, N_A_AE_SPC\n VAR = VAR + 1\n IF ( .NOT. WRITE3( A_CONC_1, A_AE_SPC( SPC ),\n & MDATE, MTIME, AGRID( :,:,:,VAR ) ) ) THEN\n XMSG = 'Could not write '\n & // TRIM( A_AE_SPC( SPC ) )\n & // ' to ' // A_CONC_1\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n END DO\n \n DO SPC = 1, N_A_NR_SPC\n VAR = VAR + 1\n IF ( .NOT. WRITE3( A_CONC_1, A_NR_SPC( SPC ),\n & MDATE, MTIME, AGRID( :,:,:,VAR ) ) ) THEN\n XMSG = 'Could not write '\n & // TRIM( A_NR_SPC( SPC ) )\n & // ' to ' // A_CONC_1\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n END DO\n \n ! Write Tracer Species Concentrations to Average Concentration File\n DO SPC = 1, N_A_TR_SPC\n VAR = VAR + 1\n IF ( .NOT. WRITE3( A_CONC_1, A_TR_SPC( SPC ),\n & MDATE, MTIME, AGRID( :,:,:,VAR ) ) ) THEN\n XMSG = 'Could not write '\n & // TRIM( A_TR_SPC( SPC ) )\n & // ' to ' // A_CONC_1\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n END DO\n \n ! Write Vertical Velocity to Average Concentration File\n IF ( W_VEL ) THEN\n IF ( .NOT. WRITE3( A_CONC_1, 'W_VEL',\n & MDATE, MTIME, AVG_WVEL ) ) THEN\n XMSG = 'Could not write Vertical Wind Velocity'\n & // ' to ' // A_CONC_1\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF \n END IF\n \n ! Write Relative Humidity to Average Concentration File\n IF ( L_ACONC_RH ) THEN\n IF ( .NOT. WRITE3( A_CONC_1, 'RH',\n & MDATE, MTIME, AVG_RH ) ) THEN\n XMSG = 'Could not write Relative Humidity'\n & // ' to ' // A_CONC_1\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF \n END IF\n \n ! Write Temperature to Average Concentration File\n IF ( L_ACONC_TA ) THEN\n IF ( .NOT. WRITE3( A_CONC_1, 'TA',\n & MDATE, MTIME, AVG_TA ) ) THEN\n XMSG = 'Could not write Temperature'\n & // ' to ' // A_CONC_1\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF \n END IF\n \n\n ! Write Pressure to Average Concentration File\n IF (L_ACONC_PRES ) THEN\n IF ( .NOT. WRITE3( A_CONC_1, 'PRES',\n & MDATE, MTIME, AVG_PRES ) ) THEN\n XMSG = 'Could not write Pressure'\n & // ' to ' // A_CONC_1\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF \n END IF\n \n\n WRITE( LOGDEV, '( /5X, 3( A, :, 1X ), I8, \":\", I6.6 )' )\n & 'Timestep written to', A_CONC_1,\n & 'for date and time', MDATE, MTIME\n#endif\n\n RETURN \n END\n" }, { "path": "CCTM/src/driver/wr_cgrid.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE WR_CGRID ( CGRID, JDATE, JTIME, TSTEP )\n\nC Save the instantaneous state of CGRID in an I/O-API \"circular buffer\"\nC file to use for restart/continuation for subsequent simulation. This\nC file will replace the CONC file for such use, allowing users to reduce\nC the number of variables and/or layers saved to the CONC file.\n\nC Revision History:\nC May 06 J.Young: initial\nC Feb 08 J.Young: fix VDESC3D bug\nC 21 Jun 10 J.Young: convert for Namelist redesign\nC 16 Feb 11 S.Roselle: replaced I/O API include files with UTILIO_DEFN;\nC removed deprecated TRIMLEN\nC 12 Aug 15 D.Wong: Replaced MYPE with IO_PE_INCLUSIVE and added code\nC to handle parallel I/O implementation\nC-----------------------------------------------------------------------\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE CGRID_SPCS ! CGRID mechanism species\n USE UTILIO_DEFN\n#ifndef mpas\n#ifdef parallel\n USE SE_MODULES ! stenex (using SE_UTIL_MODULE)\n#else\n USE NOOP_MODULES ! stenex (using NOOP_UTIL_MODULE)\n#endif\n#endif\n\n IMPLICIT NONE\n\nC Include Files:\n\n INCLUDE SUBST_FILES_ID ! file name parameters\n\n REAL, POINTER :: CGRID( :,:,:,: )\n INTEGER JDATE ! current model date, coded YYYYDDD\n INTEGER JTIME ! current model time, coded HHMMSS\n INTEGER TSTEP ! output timestep (HHMMSS)\n\nC Local variables:\n\n CHARACTER( 16 ) :: PNAME = 'WR_CGRID'\n CHARACTER( 96 ) :: XMSG = ' '\n\n INTEGER K, MXK, SPC, VAR\n INTEGER ALLOCSTAT\n\n INTEGER TSTEP_RF, NTHIK_RF, NCOLS_RF, NROWS_RF, GDTYP_RF\n REAL( 8 ) :: P_ALP_RF, P_BET_RF, P_GAM_RF\n REAL( 8 ) :: XCENT_RF, YCENT_RF\n REAL( 8 ) :: XORIG_RF, YORIG_RF\n REAL( 8 ) :: XCELL_RF, YCELL_RF\n INTEGER VGTYP_RF\n REAL VGTOP_RF\n\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n LOGICAL OK\n\n LOGICAL, EXTERNAL :: FLUSH3\n\nC-----------------------------------------------------------------------\n\n#ifndef mpas\n IF ( FIRSTIME ) THEN\n\n FIRSTIME = .FALSE.\n\nC Try to open existing file for update\n\n CALL SUBST_BARRIER\n\n OK = OPEN3( S_CGRID, FSRDWR3, PNAME )\n CALL SUBST_GLOBAL_LOGICAL( OK, 'AND' )\n IF ( .NOT. OK ) THEN\n\n XMSG = 'Could not open ' // TRIM( S_CGRID )\n & // ' file for update - try to open new'\n CALL M3MESG( XMSG )\n\n IF ( IO_PE_INCLUSIVE ) THEN\n\nC Get default file header attibutes from CONC file (assumes file already open)\n\n IF ( .NOT. DESC3( CTM_CONC_1 ) ) THEN\n XMSG = 'Could not get '\n & // TRIM( CTM_CONC_1 )\n & // ' file description'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\nC Set tstep negative to create \"circular buffer\" type file\n\n! TSTEP3D = -TSTEP\n SDATE3D = JDATE\n STIME3D = JTIME\n\nC Get CGRID nvars\n\n NVARS3D = NSPCSD\n NLAYS3D = NLAYS\n\nC Set file header attributes that differ from CONC and open the file\n\n FDESC3D = ' '\n FDESC3D( 1 ) = 'Computational grid instantaneous concentrations'\n FDESC3D( 2 ) = '- for scenario continuation.'\n\n WRITE( LOGDEV,* ) ' '\n WRITE( LOGDEV,* ) ' State CGRID File Header Description:'\n DO K = 1, 2\n WRITE( LOGDEV,* ) ' => ',\n & TRIM( FDESC3D( K ) )\n END DO\n\n VAR = 0\n\n DO SPC = 1, N_GC_SPC\n VAR = VAR + 1\n VTYPE3D( VAR ) = M3REAL\n VNAME3D( VAR ) = GC_SPC( SPC )\n UNITS3D( VAR ) = 'ppmV'\n VDESC3D( VAR ) = 'Variable ' // VNAME3D( VAR )\n END DO\n\nC pick up transported RHOJ\n\n VAR = VAR + 1\n VTYPE3D( VAR ) = M3REAL\n VNAME3D( VAR ) = 'RHOJ'\n UNITS3D( VAR ) = 'm kg m-3'\n VDESC3D( VAR ) = 'Variable ' // VNAME3D( VAR )\n\n DO SPC = 1, N_AE_SPC\n VAR = VAR + 1\n VTYPE3D( VAR ) = M3REAL\n VNAME3D( VAR ) = AE_SPC( SPC )\n IF ( VNAME3D( VAR )(1:3) .EQ. 'NUM' ) THEN\n UNITS3D( VAR ) = 'm-3'\n ELSE IF ( VNAME3D( VAR )(1:3) .EQ. 'SRF' ) THEN\n UNITS3D( VAR ) = 'm2 m-3'\n ELSE\n UNITS3D( VAR ) = 'ug m-3'\n END IF\n VDESC3D( VAR ) = 'Variable ' // VNAME3D( VAR )\n END DO\n\n DO SPC = 1, N_NR_SPC\n VAR = VAR + 1\n VTYPE3D( VAR ) = M3REAL\n VNAME3D( VAR ) = NR_SPC( SPC )\n UNITS3D( VAR ) = 'ppmV'\n VDESC3D( VAR ) = 'Variable ' // VNAME3D( VAR )\n END DO\n\n DO SPC = 1, N_TR_SPC\n VAR = VAR + 1\n VTYPE3D( VAR ) = M3REAL\n VNAME3D( VAR ) = TR_SPC( SPC )\n UNITS3D( VAR ) = 'ppmV'\n VDESC3D( VAR ) = 'Variable ' // VNAME3D( VAR )\n END DO\n\n WRITE( LOGDEV,* ) ' '\n WRITE( LOGDEV,* ) ' State CGRID File Variable List:'\n DO SPC = 1, VAR\n WRITE( LOGDEV,'( 5X, \"=> VNAME3D(\", I3, \" ): \", A )' )\n & SPC, VNAME3D( SPC )\n END DO\n\n IF ( .NOT. OPEN3( S_CGRID, FSNEW3, PNAME ) ) THEN\n XMSG = 'Could not open '\n & // TRIM( S_CGRID ) // ' file'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n END IF ! IO_PE_INCLUSIVE\n\n ELSE\n\nC File exists. Check header data with CONC file as reference. Currently only\nC proc 0 has CTM_CONC_1 open\n\n IF ( IO_PE_INCLUSIVE ) THEN\n\n IF ( .NOT. DESC3( CTM_CONC_1 ) ) THEN\n XMSG = 'Could not get '\n & // TRIM( CTM_CONC_1 )\n & // ' file description'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n TSTEP_RF = TSTEP3D\n NTHIK_RF = NTHIK3D\n NCOLS_RF = NCOLS3D\n NROWS_RF = NROWS3D\n GDTYP_RF = GDTYP3D\n P_ALP_RF = P_ALP3D\n P_BET_RF = P_BET3D\n P_GAM_RF = P_GAM3D\n XCENT_RF = XCENT3D\n YCENT_RF = YCENT3D\n XORIG_RF = XORIG3D\n YORIG_RF = YORIG3D\n XCELL_RF = XCELL3D\n YCELL_RF = YCELL3D\n VGTYP_RF = VGTYP3D\n VGTOP_RF = VGTOP3D\n\n IF ( .NOT. DESC3( S_CGRID ) ) THEN\n XMSG = 'Could not get '\n & // TRIM( S_CGRID )\n & // ' file description'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n IF ( TSTEP_RF .NE. ABS( TSTEP3D ) .OR.\n & NTHIK_RF .NE. NTHIK3D .OR.\n & NCOLS_RF .NE. NCOLS3D .OR.\n & NROWS_RF .NE. NROWS3D .OR.\n & GDTYP_RF .NE. GDTYP3D ) THEN\n XMSG = 'Header inconsistent on existing S_CGRID'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n IF ( P_ALP_RF .NE. P_ALP3D .OR.\n & P_BET_RF .NE. P_BET3D .OR.\n & P_GAM_RF .NE. P_GAM3D ) THEN\n XMSG = 'Header inconsistent on existing S_CGRID'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n IF ( XCENT_RF .NE. XCENT3D .OR.\n & YCENT_RF .NE. YCENT3D ) THEN\n XMSG = 'Header inconsistent on existing S_CGRID'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n IF ( XORIG_RF .NE. XORIG3D .OR.\n & YORIG_RF .NE. YORIG3D ) THEN\n XMSG = 'Header inconsistent on existing S_CGRID'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n IF ( XCELL_RF .NE. XCELL3D .OR.\n & YCELL_RF .NE. YCELL3D ) THEN\n XMSG = 'Header inconsistent on existing S_CGRID'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n IF ( VGTYP_RF .NE. VGTYP3D ) THEN\n XMSG = 'Header inconsistent on existing S_CGRID'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n IF ( VGTOP_RF .NE. VGTOP3D ) THEN\n XMSG = 'Header inconsistent on existing S_CGRID'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n\n END IF ! IO_PE_INCLUSIVE\n\n END IF ! .NOT. OPEN S_CGRID\n\n END IF ! FIRSTIME\n\n#ifdef parallel_io\n IF ( IO_PE_INCLUSIVE ) THEN\n IF ( .NOT. FLUSH3 ( S_CGRID ) ) THEN\n XMSG = 'Could not sync to disk ' // TRIM( S_CGRID )\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END IF\n CALL SUBST_BARRIER\n IF ( .NOT. IO_PE_INCLUSIVE ) THEN\n IF ( .NOT. OPEN3( S_CGRID, FSREAD3, PNAME ) ) THEN\n XMSG = 'Could not open ' // TRIM( S_CGRID )\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END IF\n\n IF ( .NOT. WRITE3( S_CGRID, ALLVAR3, JDATE, JTIME, CGRID ) ) THEN\n XMSG = 'Could not write S_CGRID'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n#else\n\n#ifdef parallel\n IF ( .NOT. PTRWRITE3( S_CGRID, ALLVAR3, JDATE, JTIME, CGRID ) ) THEN\n XMSG = 'Could not write S_CGRID'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n#else\n IF ( .NOT. WRITE3( S_CGRID, ALLVAR3, JDATE, JTIME, CGRID ) ) THEN\n XMSG = 'Could not write S_CGRID'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n#endif\n\n#endif\n\n WRITE( LOGDEV, '( /5X, 3( A, :, 1X ), I8, \":\", I6.6 )' )\n & 'Timestep written to', S_CGRID,\n & 'for date and time', JDATE, JTIME\n#endif\n\n RETURN \n END\n" }, { "path": "CCTM/src/driver/wr_conc.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE WR_CONC ( JDATE, JTIME, TSTEP )\n\nC Revision History:\nC 10/13/99 David Wong at LM\nC -- Called from driver, where CGRID is a pointer (subset) of PCGRID.\nC Necessary, to keep from referencing parts of PCGRID that don't\nC belong to CGRID.\nC 1/31/2000 Jeff Young\nC -- f90 memory mgmt\nC Jeff - Dec 00 - move CGRID_MAP into f90 module\nC Jeff - Feb 01 - assumed shape arrays\nC 30 Mar 01 J.Young: dyn alloc - Use HGRD_DEFN; DBUFF for WRITE3\nC 31 Jan 05 J.Young: dyn alloc - establish both horizontal & vertical\nC domain specifications in one module\nC 30 May 05 J.Young: optional save derived vert. vel. to conc file\nC 29 Aug 06 J.Young: in conjunction with state CGRID file\nC 30 Jan 10 David Wong: modified the code to write one species at a time\nC in case ALLVAR3 cannot deal with large CONC size\nC 14 Sep 10 J.Young: fix ALLVAR3 bug in writing W_VEL\nC 16 Feb 11 S.Roselle: replaced I/O API include files with UTILIO_DEFN\nC 11 May 11 D.Wong: - let non I/O PEs open CTM_CONC_1 for read only\nC 12 Aug 15 D.Wong: - Replaced MYPE with IO_PE_INCLUSIVE for parallel\nC I/O implementation\nC - Added code to allow non IO processor to open\nC CTM_CONC_1\nC 01 Feb 19 D.Wong: - Implemented centralized I/O approach\nC Sept 19 F. Sidi: Replaced L_CONC_WVEL(depreciated) with W_VEL \nC-----------------------------------------------------------------------\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE STD_CONC ! standard CONC\n USE WVEL_DEFN ! derived vertical velocity component\n USE UTILIO_DEFN\n USE ASX_DATA_MOD, ONLY : MET_DATA\n USE CENTRALIZED_IO_MODULE\n\n IMPLICIT NONE\n\nC Include Files:\n\n INCLUDE SUBST_FILES_ID ! I/O definitions and declarations\n\n INTEGER JDATE ! current model date, coded YYYYDDD\n INTEGER JTIME ! current model time, coded HHMMSS\n INTEGER TSTEP ! output timestep (HHMMSS)\n\nC Local variables:\n CHARACTER( 16 ) :: PNAME = 'WR_CONC'\n CHARACTER( 96 ) :: XMSG = ' '\n\n INTEGER ALLOCSTAT\n\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n\n INTEGER C, R, K, L, V, VAR, SPC ! loop induction variables\n\n CHARACTER( 16 ), ALLOCATABLE, SAVE :: VNAME( : )\n INTEGER, SAVE :: NVARS\n\nC-----------------------------------------------------------------------\n\n#ifndef mpas\n IF ( FIRSTIME ) THEN\n\n FIRSTIME = .FALSE.\n\nC open conc file for update\n\n IF ( .NOT. IO_PE_INCLUSIVE ) THEN\n IF ( .NOT. OPEN3( CTM_CONC_1, FSREAD3, PNAME ) ) THEN\n XMSG = 'Could not open ' // CTM_CONC_1 // ' file for update'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END IF\n\n IF ( .NOT. DESC3( CTM_CONC_1 ) ) THEN\n XMSG = 'Could not get file description from ' // CTM_CONC_1\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n \n ! Retrieve number and values of variable names\n NVARS = NVARS3D\n ALLOCATE ( VNAME( NVARS ), STAT=ALLOCSTAT )\n VNAME = VNAME3D( 1:NVARS )\n\n END IF ! firstime\n\n VAR = 0\n\n ! Write Gas-Phase Species to CONC File\n DO SPC = 1, N_C_GC_SPC\n VAR = VAR + 1\n IF ( .NOT. WRITE3( CTM_CONC_1, C_GC_SPC( SPC ),\n & JDATE, JTIME, SGRID( :,:,:,VAR ) ) ) THEN\n XMSG = 'Could not write '\n & // TRIM( C_GC_SPC( SPC ) )\n & // ' to ' // CTM_CONC_1\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END DO\n \n ! Write Aerosol Species Concentrations to CONC File\n DO SPC = 1, N_C_AE_SPC\n VAR = VAR + 1\n IF ( .NOT. WRITE3( CTM_CONC_1, C_AE_SPC( SPC ),\n & JDATE, JTIME, SGRID( :,:,:,VAR ) ) ) THEN\n XMSG = 'Could not write '\n & // TRIM( C_AE_SPC( SPC ) )\n & // ' to ' // CTM_CONC_1\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END DO\n\n ! Write Nonreactive Species Concentrations to CONC File\n DO SPC = 1, N_C_NR_SPC\n VAR = VAR + 1\n IF ( .NOT. WRITE3( CTM_CONC_1, C_NR_SPC( SPC ),\n & JDATE, JTIME, SGRID( :,:,:,VAR ) ) ) THEN\n XMSG = 'Could not write '\n & // TRIM( C_NR_SPC( SPC ) )\n & // ' to ' // CTM_CONC_1\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END DO\n\n ! Write Tracer Species Concentrations to CONC File\n DO SPC = 1, N_C_TR_SPC\n VAR = VAR + 1\n IF ( .NOT. WRITE3( CTM_CONC_1, C_TR_SPC( SPC ),\n & JDATE, JTIME, SGRID( :,:,:,VAR ) ) ) THEN\n XMSG = 'Could not write '\n & // TRIM( C_TR_SPC( SPC ) )\n & // ' to ' // CTM_CONC_1\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END DO\n\n ! Write Vertical Velocity to Output CONC file\n IF ( W_VEL ) THEN\n IF ( .NOT. WRITE3( CTM_CONC_1, 'W_VEL',\n & JDATE, JTIME, WVEL( :,:,CONC_BLEV:CONC_ELEV ) ) ) THEN\n XMSG = 'Could not write W_VEL to ' // CTM_CONC_1\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END IF ! W_VEL\n\n ! Write Relative Humidity to Output CONC file\n IF ( L_CONC_RH ) THEN\n IF ( .NOT. WRITE3( CTM_CONC_1, 'RH',\n & JDATE, JTIME, MET_DATA%RH( :,:,CONC_BLEV:CONC_ELEV ) ) ) THEN\n XMSG = 'Could not write RH to ' // CTM_CONC_1\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END IF\n\n ! Write Temperature to Output CONC file\n IF ( L_CONC_TA ) THEN\n IF ( .NOT. WRITE3( CTM_CONC_1, 'TA',\n & JDATE, JTIME, MET_DATA%TA( :,:,CONC_BLEV:CONC_ELEV ) ) ) THEN\n XMSG = 'Could not write Temperature to ' // CTM_CONC_1\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END IF\n\n ! Write Pressure to Output CONC file\n IF ( L_CONC_PRES ) THEN\n IF ( .NOT. WRITE3( CTM_CONC_1, 'PRES',\n & JDATE, JTIME, MET_DATA%PRES( :,:,CONC_BLEV:CONC_ELEV ) ) ) THEN\n XMSG = 'Could not write Pressure to ' // CTM_CONC_1\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END IF\n\n! Write Summary Message for Output Procedure\n WRITE( LOGDEV, '( /5X, 3( A, :, 1X ), I8, \":\", I6.6 )' )\n & 'Timestep written to', CTM_CONC_1,\n & 'for date and time', JDATE, JTIME\n#endif\n\n RETURN \n END\n" }, { "path": "CCTM/src/driver/wr_init.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE WR_INIT ( CGRID, JDATE, JTIME, TSTEP )\n\nC-----------------------------------------------------------------------\nC Function:\nC Create the IO/API netCDF header and open the output CONC file\n\nC Revision history:\nC Dec 15 D.Wong: Created for writing initial data to CONC file\nC Apr 16 D.Wong: Added INTEN attribute for arguments JDATE, JTIME, and TSTEP\nC so they match with the interface block in INITSCEN.F\nC Feb 19 D.Wong: removed all MY_N clauses\nC June 19 F. Sidi: Replaced BADVAL3 for TA, RH, & PRES with MET DATA\nC Sept 19 F. Sidi: Replaced L_CONC_WVEL(depreciated) with W_VEL \nC-----------------------------------------------------------------------\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE WVEL_DEFN ! derived vertical velocity component\n USE STD_CONC ! standard CONC\n USE UTILIO_DEFN\n#ifndef mpas\n#ifdef parallel\n USE SE_MODULES ! stenex (using SE_UTIL_MODULE)\n#else\n USE NOOP_MODULES ! stenex (using NOOP_UTIL_MODULE)\n#endif\n#endif\n USE CENTRALIZED_IO_MODULE\n IMPLICIT NONE\n\n INCLUDE SUBST_FILES_ID ! file name parameters\n \nC Arguments:\n\n REAL, POINTER :: CGRID( :,:,:,: ) ! for initial CONC\n INTEGER, INTENT( IN ) :: JDATE ! starting date (YYYYDDD)\n INTEGER, INTENT( IN ) :: JTIME ! starting time (HHMMSS)\n INTEGER, INTENT( IN ) :: TSTEP ! output timestep (HHMMSS)\n\nC Local Variables:\n\n REAL, ALLOCATABLE :: DBUFF( :,:,: ), DBUFFP( :, :, :),\n & DBUFFTA( :, :, :), DBUFFQV(:, :, :)\n\n INTEGER ALLOCSTAT\n\n CHARACTER( 16 ) :: PNAME = 'OPCONC'\n CHARACTER( 96 ) :: XMSG = ' '\n CHARACTER( 28 ) :: SSTR = ' species saved to CONC file:'\n\nC environment variable for no. of layers from bottom to save on CONC file\n CHARACTER( 16 ) :: NLAYS_CONC = 'NLAYS_CONC'\n\nC environment variable description\n CHARACTER( 80 ) :: VARDESC\n\n INTEGER K, KD, L, SPC, V ! loop counters\n INTEGER STRT, FINI ! loop counters\n INTEGER INDX\n\n LOGICAL, EXTERNAL :: FLUSH3\n\nC-----------------------------------------------------------------------\n\n#ifndef mpas\n#ifdef parallel_io\n CALL SUBST_BARRIER\n IF ( .NOT. IO_PE_INCLUSIVE ) THEN\n IF ( .NOT. OPEN3( CTM_CONC_1, FSREAD3, PNAME ) ) THEN\n XMSG = 'Could not open ' // CTM_CONC_1\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END IF\n#endif\n\nC write the initial concentrations as step 0 on the conc file\nC (inital data assumed to be in correct output units)\n\n ALLOCATE ( DBUFF( NCOLS,NROWS,C_NLAYS ), DBUFFP( NCOLS, NROWS,\n & C_NLAYS), DBUFFTA( NCOLS, NROWS, C_NLAYS), \n & DBUFFQV( NCOLS, NROWS, C_NLAYS), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating DBUFF(s)'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n WRITE( LOGDEV,* ) ' '\n\n V = 0\n\n IF ( N_C_GC_SPC .NE. 0 ) WRITE( LOGDEV,'( /5X, \"Gas Chem\", A )' ) SSTR\n\n DO SPC = 1, N_C_GC_SPC\n V = V + 1\n INDX = CONC_MAP( V )\n\n DBUFF = CGRID( 1:NCOLS,1:NROWS,CONC_BLEV:CONC_ELEV,INDX )\n\n IF ( .NOT. WRITE3( CTM_CONC_1, C_GC_SPC( SPC ),\n & JDATE, JTIME, DBUFF ) ) THEN\n XMSG = 'Could not write ' //\n & TRIM( C_GC_SPC( SPC ) ) //\n & ' to ' // CTM_CONC_1\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n WRITE( LOGDEV,'( 5X, I4, \" (\", I3, \") \", A )' )\n & SPC, V, TRIM( C_GC_SPC( SPC ) )\n\n END DO\n\n IF ( N_C_AE_SPC .NE. 0 ) WRITE( LOGDEV,'( /5X, \"Aerosol\", A )' ) SSTR\n\n DO SPC = 1, N_C_AE_SPC\n V = V + 1\n INDX = CONC_MAP( V )\n\n DBUFF = CGRID( 1:NCOLS,1:NROWS,CONC_BLEV:CONC_ELEV,INDX )\n\n IF ( .NOT. WRITE3( CTM_CONC_1, C_AE_SPC( SPC ),\n & JDATE, JTIME, DBUFF ) ) THEN\n XMSG = 'Could not write ' //\n & TRIM( C_AE_SPC( SPC ) ) //\n & ' to ' // CTM_CONC_1\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n WRITE( LOGDEV,'( 5X, I4, \" (\", I3, \") \", A )' )\n & SPC, V, TRIM( C_AE_SPC( SPC ) )\n\n END DO\n\n IF ( N_C_NR_SPC .NE. 0 ) WRITE( LOGDEV,'( /5X, \"Non-reactive\", A )' ) SSTR\n\n DO SPC = 1, N_C_NR_SPC\n V = V + 1\n INDX = CONC_MAP( V )\n\n DBUFF = CGRID( 1:NCOLS,1:NROWS,CONC_BLEV:CONC_ELEV,INDX )\n\n IF ( .NOT. WRITE3( CTM_CONC_1, C_NR_SPC( SPC ),\n & JDATE, JTIME, DBUFF ) ) THEN\n XMSG = 'Could not write ' //\n & TRIM( C_NR_SPC( SPC ) ) //\n & ' to ' // CTM_CONC_1\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n WRITE( LOGDEV,'( 5X, I4, \" (\", I3, \") \", A )' )\n & SPC, V, TRIM( C_NR_SPC( SPC ) )\n END DO\n\n IF ( N_C_TR_SPC .NE. 0 ) WRITE( LOGDEV,'( /5X, \"Inert tracer\", A )' ) SSTR\n\n DO SPC = 1, N_C_TR_SPC\n V = V + 1\n INDX = CONC_MAP( V )\n\n DBUFF = CGRID( 1:NCOLS,1:NROWS,CONC_BLEV:CONC_ELEV,INDX )\n\n IF ( .NOT. WRITE3( CTM_CONC_1, C_TR_SPC( SPC ),\n & JDATE, JTIME, DBUFF ) ) THEN\n XMSG = 'Could not write ' //\n & TRIM( C_TR_SPC( SPC ) ) //\n & ' to ' // CTM_CONC_1\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n WRITE( LOGDEV,'( 5X, I4, \" (\", I3, \") \", A )' )\n & SPC, V, TRIM( C_TR_SPC( SPC ) )\n\n END DO\n \n IF ( W_VEL ) THEN ! Vertical Velocity Calculated from Advection\n\n DBUFF = BADVAL3\n\n IF ( .NOT. WRITE3( CTM_CONC_1, 'W_VEL',\n & JDATE, JTIME, DBUFF ) ) THEN\n XMSG = 'Could not write Vertical Velocity (W_VEL) to ' // CTM_CONC_1\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END IF\n \n IF ( L_CONC_TA ) THEN ! for Temperature\n \n CALL interpolate_var ('TA', JDATE, JTIME, DBUFFTA)\n \n IF ( .NOT. WRITE3( CTM_CONC_1, 'TA',\n & JDATE, JTIME, DBUFFTA ) ) THEN\n XMSG = 'Could not write Temperature to ' // CTM_CONC_1\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END IF\n\n IF ( L_CONC_PRES ) THEN ! for Pressure\n \n CALL interpolate_var ('PRES', JDATE, JTIME, DBUFFP)\n \n IF ( .NOT. WRITE3( CTM_CONC_1, 'PRES',\n & JDATE, JTIME, DBUFFP ) ) THEN\n XMSG = 'Could not write Pressure to ' // CTM_CONC_1\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END IF\n\n\n IF ( L_CONC_RH ) THEN ! for Relative Humidity\n\n CALL interpolate_var ('QV', JDATE, JTIME, DBUFFQV)\n\n DBUFF = DBUFFQV * DBUFFP / ( DBUFFQV + 0.622015 ) /\n & ( 610.94 * EXP( 17.625 * ( DBUFFTA - 273.15 ) / \n & ( DBUFFTA - 273.15 + 243.04 ) ) )\n DBUFF = MIN( 0.9999, MAX( 0.001, DBUFF) )\n\n IF ( .NOT. WRITE3( CTM_CONC_1, 'RH',\n & JDATE, JTIME, DBUFF ) ) THEN\n XMSG = 'Could not write Relative Humidity to ' // CTM_CONC_1\n\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END IF\n\n\n DEALLOCATE ( DBUFF, DBUFFP, DBUFFTA, DBUFFQV)\n\n WRITE( LOGDEV, '( /5X, 3( A, :, 1X ), I8, \":\", I6.6 )' )\n & 'Timestep written to', CTM_CONC_1,\n & 'for date and time', JDATE, JTIME\n WRITE( LOGDEV, '( 5X, A, 1X, I8, \":\", I6.6 )' )\n & 'from timestep on initial data files for date and time',\n & JDATE, JTIME\n#endif\n\n RETURN\n END SUBROUTINE WR_INIT\n" }, { "path": "CCTM/src/emis/emis/BEIS_DEFN.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n MODULE BEIS_DEFN\n\nC-----------------------------------------------------------------------\nC Function: biogenics emissions interface to the chemistry-transport model\n\nC Revision History:\nC 18 Aug 2007 J.Young: initial implementation\nC 16 Feb 2011 S.Roselle: replaced I/O API include files with UTILIO_DEFN\nC 10 May 2011 D.Wong: incorporated twoway model implementation\nC 01 Feb 19 David Wong: removed MY_N clauses\nC-----------------------------------------------------------------------\n USE RUNTIME_VARS\n\n IMPLICIT NONE\n\n INTEGER, SAVE :: N_SPC_BIOG ! biogenics emissions species\n REAL, ALLOCATABLE, SAVE :: VDEMIS_BI( :,:,: ) ! beis emis\n INTEGER, ALLOCATABLE, SAVE :: BEIS_MAP( : ) ! map to GC\n CHARACTER( 16 ), SAVE :: CTM_BIOGEMIS_BE = 'CTM_BIOGEMIS_BE'! env var for\n\n CONTAINS\n\nC=======================================================================\n\n FUNCTION BEIS_INIT ( JDATE, JTIME, TSTEP ) RESULT ( SUCCESS )\n\n USE HGRD_DEFN\n USE CGRID_SPCS ! CGRID mechanism species\n USE BIOG_EMIS ! from beis\n USE UTILIO_DEFN\n\n IMPLICIT NONE\n\n INCLUDE SUBST_CONST ! constants\n\n INTEGER JDATE, JTIME, TSTEP\n LOGICAL SUCCESS\n\n REAL, PARAMETER :: CMLMR = 1.0E+06 ! ppmV/Molar Mixing Ratio\n\n CHARACTER( 16 ) :: PNAME = 'BEIS_INIT'\n CHARACTER( 80 ) :: VARDESC ! env variable description\n CHARACTER( 120 ) :: XMSG = ' '\n\n INTEGER N_SPC\n INTEGER V, K, STATUS\n\nC-----------------------------------------------------------------------\n\n SUCCESS = .TRUE.\n\nC In-line biogenic emissions?\n CALL LOG_SUBHEADING( LOGDEV, 'Initialize Online Biogenic VOC Emissions Module (BEIS)' )\n\nC biogenics to gas-phase species map\n IF ( BIOGEMIS_BEIS ) THEN\n\n XMSG = 'Using in-line biogenic emissions option'\n CALL M3MSG2( XMSG )\n\n IF ( .NOT. BIOG_INIT() ) THEN\n XMSG = 'Could not initialize biogenic emissions variables'\n CALL M3WARN ( PNAME, JDATE, JTIME, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\n ALLOCATE( VDEMIS_BI( MSPCS,NCOLS,NROWS ), STAT = STATUS )\n IF ( STATUS .NE. 0 ) THEN\n XMSG = 'VDEMIS_BI memory allocation failed'\n CALL M3WARN ( PNAME, JDATE, JTIME, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\n END IF\n\n SUCCESS = .TRUE.; RETURN\n\n END FUNCTION BEIS_INIT\n\nC=======================================================================\n\n SUBROUTINE GET_BEIS ( JDATE, JTIME, TSTEP, L_DESID_DIAG )\n\n USE DESID_VARS, ONLY : DESID_N_ISTR, IBIOSRM,\n & MAP_ISTRtoEMVAR, MAP_ISTRtoDIFF\n USE BIOG_EMIS, ONLY : MSPCS\n \n IMPLICIT NONE\n\n INTEGER JDATE, JTIME, TSTEP( 3 ), ISTR\n LOGICAL, SAVE :: FIRST_TIME = .TRUE.\n LOGICAL, INTENT( IN ) :: L_DESID_DIAG\n\n INTERFACE\n SUBROUTINE TMPBEIS ( MDATE, MTIME, TSTEP, BEIS_MAP, \n & VDEMIS_BI, L_DESID_DIAG )\n INTEGER, INTENT( IN ) :: MDATE, MTIME, TSTEP( 3 )\n INTEGER, INTENT( IN ) :: BEIS_MAP( : )\n REAL, INTENT( OUT ) :: VDEMIS_BI( :,:,: )\n LOGICAL, INTENT( IN ) :: L_DESID_DIAG\n END SUBROUTINE TMPBEIS\n END INTERFACE\n\nC-----------------------------------------------------------------------\n\n IF ( FIRST_TIME ) THEN\n ! Map out BEIS_MAP using MAP_ISTRtoEMVAR Array\n ALLOCATE( BEIS_MAP( MSPCS ) )\n BEIS_MAP = 0\n DO ISTR = 1,DESID_N_ISTR\n IF ( MAP_ISTRtoEMVAR( ISTR,IBIOSRM ) .GT. 0 ) \n & BEIS_MAP( MAP_ISTRtoEMVAR( ISTR,IBIOSRM ) ) = \n & MAP_ISTRtoDIFF( ISTR )\n END DO\n\n FIRST_TIME = .FALSE.\n END IF \n\n CALL TMPBEIS( JDATE, JTIME, TSTEP, BEIS_MAP, VDEMIS_BI, L_DESID_DIAG )\n\n RETURN\n\n END SUBROUTINE GET_BEIS\n\n END MODULE BEIS_DEFN\n\n" }, { "path": "CCTM/src/emis/emis/BIOG_EMIS.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n MODULE BIOG_EMIS\n\nC-----------------------------------------------------------------------\nC Function: biogenics emissions interface to the speciation profiles file\n\nC Revision History:\nC ?? ??? ???? ?.?????: initial implementation\nC 20 Sep 2007 J.Young: inline DSCSPROF, eliminate MODSPRO module\nC 16 Feb 2011 S.Roselle: replaced I/O API include files with UTILIO_DEFN\nC 16 Aug 2018 G. Sarwar: updated for CB6R3M_AE7_KMTBR\nC 01 Feb 2019 D. Wong: Implemented centralized I/O approach, and \nC created a new module biog_emis_param_module \nC (model_data_module.F) to hold some of information\nC originally stored here to avoid cyclic dependence\nC 10 Mar 2021 G. Sarwar: Changed CB6R3M_AE7_KMTBR to CB6R3M_AE7_AQ\nC 10 June 2021 G. Sarwar: Replacd CB6R3M_AE7_AQ with CB6R5M_AE7_AQ\nC Xiaoyang Chen at Northeastern University notified that CMAQ is not generating any monoterpene\nC emissions when in-line option is enabled with RACM2\nC 07 June 2021 G. Sarwar: replaced \"B10RD\" with \"B3V10\" for RACM2\nC 30 Sept 2021 G. Sarwar: added CB6R5_AE7_AQ\nC 04 Oct 2021 G. Sarwar: added CB6R5HAP_AE7_AQ\nC 14 Sep 2023 G. Sarwar: added CRACMM2\nC-----------------------------------------------------------------------\n USE RUNTIME_VARS\n USE DESID_VARS\n USE biog_emis_param_module\n\n IMPLICIT NONE\n\n INTEGER, SAVE :: MSPCS ! no. of emitted species\n CHARACTER( 16 ), ALLOCATABLE, SAVE :: EMSPC( : ) ! emitted species names\n\nC Mole and mass factors:\n REAL, ALLOCATABLE, SAVE :: MLFAC( :,: ) ! mole factors\n REAL, ALLOCATABLE, SAVE :: MSFAC( :,: ) ! mass factors\n\nC-----------------------------------------------------------------------\n\n CONTAINS\n FUNCTION BIOG_INIT() RESULT ( SUCCESS )\n \n USE RXNS_DATA, ONLY : MECHNAME\n USE UTILIO_DEFN\n USE CGRID_SPCS, ONLY : N_CGRID_SPC, CGRID_NAME, CGRID_MW\n#ifdef mpas\n USE util_module, only : PROMPTFFILE, index1, str2real, sortic\n#endif\n\n IMPLICIT NONE\n\nC Subroutine arguments:\n LOGICAL SUCCESS\n\nC Parameters:\nC (A line from the profile file is a record.)\n INTEGER, PARAMETER :: NSEGS = 6 ! # of potential line segments (fields)\n INTEGER, PARAMETER :: MXLINES = 100 ! max lines for requested sppro name\n INTEGER, PARAMETER :: MXSPPOL = 10 ! max no. spc per pollutant\n INTEGER, PARAMETER :: NMECHS = 21 ! dimension for number of mechanisms considered\n CHARACTER, PARAMETER :: CINVHDR = '#' ! Indicator for inventory hdr fields\n! REAL, PARAMETER :: GM2TON = 1.0 / 907184.74 ! grams to tons\n\nC unit number for speciation profiles file\n INTEGER :: RDEV\n\nC Header definitions for NONHAP pollutants \n CHARACTER( 7 ), PARAMETER :: HDRSTART = '/NONHAP' ! start of header\n CHARACTER( 5 ), PARAMETER :: HDREND = '/END/' ! end of header\n\n INTEGER :: MXSPEC ! max no. of species per pol\n\nC Table of species names per inventory pollutant\n CHARACTER( 16 ), ALLOCATABLE :: SPCNAMES( :,: )\nC Table of mole-based units per inventory pollutant for all species\n CHARACTER( 16 ), ALLOCATABLE :: MOLUNITS( :,: )\n\nC Arrays for getting pollutant-specific information from file\n INTEGER :: NSPECA ( NSEF ) ! number of species per pollutant\n CHARACTER( 16 ) :: POLNAMA( NSEF ) ! unsorted pollutant names\n CHARACTER( 20 ) :: SEGMENT( NSEGS ) ! Segments of parsed lines\n INTEGER :: INDX1A ( MXLINES ) ! sorting index for SPECNMA\n CHARACTER( 16 ) :: SPECNMA ( MXLINES ) ! unsort spcs names\n CHARACTER( 16 ) :: TMPNAMES( MXSPPOL,NSEF ) ! unsort names per pollutant\n LOGICAL :: LMOLAR ( MXLINES ) ! true: moles conversion is not mass\n\n INTEGER :: IPOS( MXSPPOL ) ! position in input pollutant list\n\nC Local variables\n INTEGER I, J, K, M, N ! counters and indices\n INTEGER ICOUNT ! tmp counter while populating SPCNAMES\n INTEGER IOS ! i/o status\n INTEGER POL ! pollutant counter\n INTEGER IREC ! record counter\n INTEGER ISP ! species names counter\n INTEGER NIPOS ! number of pollutant matches\n INTEGER PNDX ! position (from INDEX1) of pol in POLNAMA\n INTEGER SNDX ! position (from INDEX1) of pol in SPECNMA\n INTEGER NDX, INDX ! index position\n\n LOGICAL :: INHEADER = .FALSE. ! true: in file header\n\n CHARACTER( 256 ) :: LINE ! buffer for profile record\n CHARACTER( 256 ) :: MESG ! message buffer\n CHARACTER( 16 ) :: SPNPRF ! record (line) speciation profile name\n CHARACTER( 16 ) :: POLNAM ! record (line) pollutant name\n CHARACTER( 16 ) :: SPECNM ! record (line) species name\n CHARACTER( 16 ) :: FILE_SPPRO ! label read from gspro\n\n REAL SPLTFAC, SDIV, SMFAC ! line speciation profile factors\n \n TYPE BIOG_MECH_TYPE\n CHARACTER( 32 ) :: CHEMMECH\n CHARACTER( 16 ) :: BIOGMECH\n END TYPE BIOG_MECH_TYPE\n\n TYPE( BIOG_MECH_TYPE ) :: BIOG_MECH_MAP( NMECHS ) = (/\n & BIOG_MECH_TYPE( 'CB05E51_AE6_AQ ','B10C5 '),\n & BIOG_MECH_TYPE( 'CB05EH51_AE6_AQ ','B10C5 '),\n & BIOG_MECH_TYPE( 'CB05MP51_AE6_AQ ','B10C5 '),\n & BIOG_MECH_TYPE( 'CB05TUCL51_AE6_AQ ','B10C5 '),\n & BIOG_MECH_TYPE( 'CB6R3_AE6_AQ ','B10C6 '),\n & BIOG_MECH_TYPE( 'CB6MP_AE6_AQ ','B10C6 '),\n & BIOG_MECH_TYPE( 'CB6R5HAP_AE7_AQ ','B10C6AE7'),\n & BIOG_MECH_TYPE( 'CB6R3_AE7_AQ ','B10C6AE7'), \n & BIOG_MECH_TYPE( 'CB6R5_AE7_AQ ','B10C6AE7'), \n & BIOG_MECH_TYPE( 'CB6R3_AE7_AQKMT2 ','B10C6AE7'), \n & BIOG_MECH_TYPE( 'CB6R5M_AE7_AQ ','B10C6AE7'),\n & BIOG_MECH_TYPE( 'RACM2_AE6_AQ ','B3V10 '),\n & BIOG_MECH_TYPE( 'SAPRC07TB_AE6_AQ ','B10SP '),\n & BIOG_MECH_TYPE( 'SAPRC07TC_AE6_AQ ','B10SP '),\n & BIOG_MECH_TYPE( 'SAPRC07TIC_AE6I_AQ ','B10SP '),\n & BIOG_MECH_TYPE( 'SAPRC07TIC_AE6I_AQKMTI ','B10SP '),\n & BIOG_MECH_TYPE( 'SAPRC07TIC_AE7I_AQ ','B10SP '),\n & BIOG_MECH_TYPE( 'SAPRC07TIC_AE7I_AQKMT2 ','B10SP '),\n & BIOG_MECH_TYPE( 'CRACMM2 ','CRACMM2 '),\n & BIOG_MECH_TYPE( 'CRACMM1_AQ ','CRACMM1 '),\n & BIOG_MECH_TYPE( 'CRACMM1AMORE_AQ ','CRACMM1 ') /)\n \n CHARACTER( 16 ) :: PNAME = 'BIOG_INIT'\n\nC-----------------------------------------------------------------------\n\n SUCCESS = .TRUE.\n\nC Open speciation profiles file\n RDEV = PROMPTFFILE(\n & 'Enter logical name for Speciation Profiles file',\n & .TRUE., .TRUE., 'GSPRO', PNAME )\n\n IF ( SPPRO .EQ. 'DEFAULT' ) THEN \n INDX = INDEX1( MECHNAME, NMECHS, BIOG_MECH_MAP%CHEMMECH )\n SPPRO = BIOG_MECH_MAP( INDX )%BIOGMECH\n WRITE( LOGDEV, '(5X,A,A,A)' ), 'Accessing compatible biogenic ',\n & 'emissions mechanism: ',TRIM( SPPRO )\n END IF\n\nC Scan speciation profiles file to get all of the pollutant-species combinations\nC that are valid for the pollutants in the inventory. The species names are sorted\nC in alphebetical order for each pollutant, and the pollutants are in the same order\nC as BIOTYPES. Also retrieve the maximum number of species per pollutant and the\nC maximum number of profile entries per pollutant.\n\nC Initialize species count per pollutant and flag for indicating true molar\nC conversions (NOTE - for some pollutants like PM10, there are no mole-based\nC factor and outputs should be in units of gm/mole in the mole-base speciation\nC matrix)\n NSPECA = 0 ! array\n POLNAMA = ' ' ! array\n TMPNAMES = ' ' ! array\n LMOLAR = .FALSE. ! array\n\nC Read through input file to determine the total number of pollutants in the input\nC file, to determine the number of profiles per pollutant, to store the unique\nC species names, and to store the units for mass-based and mole-based conversions\n ICOUNT = 1\n POL = 0\n ISP = 0\n IREC = 0\n DO\n READ( RDEV, 93000, END=1999, IOSTAT=IOS ) LINE\n IREC = IREC + 1\n IF ( IOS .GT. 0 ) THEN\n WRITE( MESG, 94010 )\n & 'I/O error', IOS, 'reading speciation profile ' //\n & 'file at line', IREC\n CALL M3MESG( MESG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\nC Skip blank and comment lines\n IF ( LINE .EQ. ' ' .OR. LINE( 1:1 ) .EQ. CINVHDR ) CYCLE\n\nC Skip all lines until the end of the header...\nC Check for header start\n NDX = INDEX( LINE, HDRSTART )\n IF ( NDX .GT. 0 ) INHEADER = .TRUE.\n\n NDX = INDEX( LINE, HDREND )\n IF ( INHEADER ) THEN\n IF ( NDX .GT. 0 ) INHEADER = .FALSE.\n CYCLE\n ELSE IF ( NDX .GT. 0 ) THEN\n WRITE( MESG,94010 ) 'Header end found before header ' //\n & 'started at line', IREC\n CALL M3MESG( MESG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\nC Skip lines that dont reference the requested speciation profile name\n IF ( LINE( 1:1 ) .EQ. '\"' ) THEN\n FILE_SPPRO = LINE( 2: INDEX( LINE,'\"' )-1 )\n IF ( FILE_SPPRO .NE. SPPRO ) CYCLE \n ELSE\n FILE_SPPRO = LINE( 1: INDEX( LINE,';' )-1 )\n IF ( FILE_SPPRO .NE. SPPRO ) CYCLE \n END IF\n\nC Separate the line of data (record) into the segments (parse the record fields)\n CALL PARSLINE( LINE, NSEGS, SEGMENT )\n\nC Left-justify character strings and convert factors to reals\n SPNPRF = ADJUSTL ( SEGMENT( 1 ) )\n POLNAM = ADJUSTL ( SEGMENT( 2 ) )\n SPECNM = ADJUSTL ( SEGMENT( 3 ) )\n SPLTFAC = STR2REAL( SEGMENT( 4 ) )\n SDIV = STR2REAL( SEGMENT( 5 ) )\n SMFAC = STR2REAL( SEGMENT( 6 ) )\n\nC Check width of character fields of fixed length\n N = LEN_TRIM( SPNPRF )\n IF ( N .GT. 16 ) THEN\n WRITE( MESG,94010 ) 'ERROR: Speciation profile code ' //\n & 'exceeds max width of 16 characters at line', IREC\n CALL M3MESG( MESG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\n N = LEN_TRIM( POLNAM )\n IF ( N .GT. 16 ) THEN\n WRITE( MESG,94010 ) 'ERROR: Pollutant name ' //\n & 'exceeds max characters of 16 at line', IREC\n CALL M3MESG( MESG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\n N = LEN_TRIM( SPECNM )\n IF ( N .GT. 16 ) THEN\n WRITE( MESG,94010 ) 'ERROR: Species name ' //\n & 'exceeds max characters of 16 at line', IREC\n CALL M3MESG( MESG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\nC Make sure divisor factor is not zero\n IF ( SDIV .EQ. 0.0 ) THEN\n WRITE( MESG,94010 ) 'ERROR: Zero divisor found at line ', IREC\n CALL M3MESG( MESG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\nC Search for pollutant in list of valid names, and go to the end of the loop if\nC none found (skip entry). Record number and position of all matches.\n M = 0\n IPOS = 0 ! array\n DO N = 1, NSEF\n IF ( POLNAM .EQ. BIOTYPES( N ) ) THEN\n M = M + 1\n IF ( M .LE. MXSPPOL ) THEN\n IPOS( M ) = N\n ELSE ! Max of 10 profile pollutant names per biotype\n MESG = 'ERROR: Exceeded max pollutant names' //\n & 'per biotype in ' // PNAME\n CALL M3MSG2( MESG )\n MESG = 'Quitting'\n CALL M3MESG( MESG )\n SUCCESS = .FALSE.; RETURN\n END IF\n END IF\n END DO\n NIPOS = M\n\n IF ( MAXVAL( IPOS ) .EQ. 0 ) CYCLE\n\nC Build unique pollutant name list (POLNAMA) from list of all profile file pollutants\n PNDX = INDEX1( POLNAM, POL, POLNAMA )\n\n IF ( PNDX .LE. 0 ) THEN ! if current POLNAM is not in POLNAMA, then\n POL = POL + 1 ! increment counter, and\n POLNAMA( POL ) = POLNAM ! add POLNAM to POLNAMA\n END IF\n\nC Build unique species name list (SPECNMA) from list of profile file species names\n SNDX = INDEX1( SPECNM, ISP, SPECNMA )\n\n IF ( SNDX .LE. 0 ) THEN ! if current SPECNM is not in SPECNMA, then\n ISP = ISP + 1\n INDX1A ( ISP ) = ISP ! add to index\n SPECNMA( ISP ) = SPECNM ! add SPECNM to SPECNMA\n\nC If mole-based = mass based, then use molar transform\n IF ( SPLTFAC / SDIV .NE. SMFAC ) LMOLAR( ISP ) = .TRUE.\n\n END IF\n\nC Check if species is already stored for current pollutant, and if not, increment\nC species-per-pollutant counter and add species to list.\n DO M = 1, NIPOS\n K = NSPECA( IPOS( M ) )\n#ifdef mpas\n NDX = INDEX1( SPECNM, K, TMPNAMES( :,IPOS( M ) ) )\n#else\n NDX = INDEX1( SPECNM, K, TMPNAMES( 1,IPOS( M ) ) )\n#endif\n IF ( NDX .LE. 0 ) THEN\n K = K + 1\n IF ( K .LE. MXSPPOL ) THEN\n TMPNAMES( K,IPOS( M ) ) = SPECNM\n ELSE\n MESG = 'ERROR: Exceeded TMPNAMES dimension'\n CALL M3MESG( MESG )\n SUCCESS = .FALSE.; RETURN\n END IF\n NSPECA( IPOS( M ) ) = K\n END IF\n END DO\n\n END DO ! infinite read loop\n\n1999 CONTINUE ! end reading speciation profile input lines\n\n IF ( POL .EQ. 0 ) THEN\n MESG = 'ERROR: No pollutants found in speciation ' //\n & 'profiles that match the inventory!'\n CALL M3MESG( MESG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\n IF ( ISP .EQ. 0 ) THEN\n MESG = 'ERROR: No species found in speciation profile!'\n CALL M3MESG( MESG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\nC max number of species per pollutant\n MXSPEC = MAXVAL( NSPECA )\n\nC Allocate memory for species names array and units to use for mole-based\nC transformations.\n ALLOCATE( SPCNAMES( MXSPEC,NSEF ), STAT=IOS )\n CALL CHECKMEM( IOS, 'SPCNAMES', PNAME )\n ALLOCATE( MOLUNITS( MXSPEC,NSEF ), STAT=IOS )\n CALL CHECKMEM( IOS, 'MOLUNITS', PNAME )\n\n SPCNAMES = ' ' ! array\n MOLUNITS = ' ' ! array\n\nC Sort master species names\n CALL SORTIC( ISP, INDX1A, SPECNMA ) ! sort on INDX1A\n\nC Cycle through count of all valid pollutants (NSEF) and all species associated\nC with these pollutants (ISP). Check if species is valid for the current pollutant,\nC and if so, store in the output species name list.\n DO I = 1, NSEF\n ICOUNT = 0\n DO J = 1, ISP\nC Process species in sorted order\n K = INDX1A( J )\nC Find species in list of valid species per pollutant\n#ifdef mpas\n NDX = INDEX1( SPECNMA( K ), NSPECA( I ), TMPNAMES( :,I ) )\n#else\n NDX = INDEX1( SPECNMA( K ), NSPECA( I ), TMPNAMES( 1,I ) )\n#endif\n IF ( NDX .GT. 0 ) THEN\n ICOUNT = ICOUNT + 1\n SPCNAMES( ICOUNT, I ) = SPECNMA( K )\nC When the species does not have molar factors, store the molar units as mass units\n IF ( LMOLAR( K ) ) THEN\n MOLUNITS( ICOUNT, I ) = 'moles/ton'\n ELSE\n MOLUNITS( ICOUNT, I ) = 'g/ton'\n END IF\n END IF\n END DO\n END DO\n\nC Reposition sequential file for second pass\n\n REWIND( RDEV )\n\n ALLOCATE( EMSPC( MXLINES ), STAT=IOS )\n CALL CHECKMEM( IOS, 'EMSPC', PNAME )\n\n EMSPC = ' ' ! array initialization\n\n#ifdef Verbose\n write( logdev,* ) ' Biogenic emissions species:'\n write( logdev,* ) ' Pol POLNAMES Spc SPCNAMES Mspcs EMSPC'\n#endif\nC Find emitted CMAQ species names\n MSPCS = 0\n DO POL = 1, NSEF\n DO ISP = 1, MXSPEC\n IF ( SPCNAMES( ISP,POL ) .EQ. ' ' ) CYCLE\n NDX = INDEX1 ( SPCNAMES( ISP,POL ), MSPCS, EMSPC ) \n IF ( NDX .EQ. 0 ) THEN\n MSPCS = MSPCS + 1\n EMSPC( MSPCS ) = SPCNAMES( ISP,POL )\n#ifdef Verbose\n write( logdev,'( 5X, I3, 1X, A5, 5X, I3, 1X, A16, I4, 3X, A16 )' )\n & pol, biotypes( pol ), isp, spcnames( isp,pol ), mspcs,\n & emspc( mspcs )\n else\n write( logdev,'( 5X, I3, 1X, A5, 5X, I3, 1X, A16 )' )\n & pol, biotypes( pol ), isp, spcnames( isp,pol )\n#endif\n END IF\n END DO\n END DO\n\nC Save Species names in global array for mapping emissions\n DESID_EMVAR( IBIOSRM )%LEN = MSPCS\n ALLOCATE( DESID_EMVAR( IBIOSRM )%ARRY ( MSPCS ) )\n ALLOCATE( DESID_EMVAR( IBIOSRM )%UNITS( MSPCS ) )\n ALLOCATE( DESID_EMVAR( IBIOSRM )%MW ( MSPCS ) )\n ALLOCATE( DESID_EMVAR( IBIOSRM )%USED ( MSPCS ) )\n ALLOCATE( DESID_EMVAR( IBIOSRM )%CONV ( MSPCS ) )\n ALLOCATE( DESID_EMVAR( IBIOSRM )%BASIS( MSPCS ) )\n ALLOCATE( DESID_EMVAR( IBIOSRM )%LAREA( MSPCS ) )\n ALLOCATE( DESID_EMVAR( IBIOSRM )%LAREAADJ( MSPCS ) )\n\n DESID_EMVAR( IBIOSRM )%ARRY = EMSPC\n DESID_EMVAR( IBIOSRM )%UNITS = 'MOLES/S'\n DESID_EMVAR( IBIOSRM )%MW = 1.0\n DESID_EMVAR( IBIOSRM )%USED = .FALSE.\n DESID_EMVAR( IBIOSRM )%CONV = 1.0\n DESID_EMVAR( IBIOSRM )%BASIS = 'MOLE'\n DESID_EMVAR( IBIOSRM )%LAREA = .FALSE.\n DESID_EMVAR( IBIOSRM )%LAREAADJ = .FALSE.\n\n ! Populate the Molecular Weight Field by Matching Gas Species\n ! to the CMAQ mechanism species\n DO ISP = 1,MSPCS\n INDX = INDEX1( EMSPC( ISP ), N_CGRID_SPC, CGRID_NAME )\n IF ( INDX .NE. 0 ) THEN\n DESID_EMVAR( IBIOSRM )%MW( ISP ) = CGRID_MW( INDX )\n ELSE\n WRITE( MESG, '(A,A,A,A)' ) 'WARNING: BEIS emission species ',\n & EMSPC( ISP ),' is not found in the Gas-Phase Mechanism. ',\n & 'The emission variable molecular weight will be set to 1.0'\n CALL LOG_MESSAGE( LOGDEV, MESG )\n DESID_EMVAR( IBIOSRM )%MW( ISP ) = 1.0\n END IF\n\n END DO\n\nC Allocate memory for storing mole- and mass-based factors\n ALLOCATE( MLFAC( MSPCS,NSEF ), STAT=IOS )\n CALL CHECKMEM( IOS, 'MLFAC', PNAME )\n ALLOCATE( MSFAC( MSPCS,NSEF ), STAT=IOS )\n CALL CHECKMEM( IOS, 'MSFAC', PNAME )\n MLFAC = 0.0 ! array\n MSFAC = 0.0 ! array\n\nC Read through input file to determine the total number of pollutants in the\nC input file, to determine the number of profiles per pollutant, to store the\nC unique species names, and to store the units for mass-based and mole-based\nC conversions\n IREC = 0\n DO\n READ( RDEV, 93000, END=2999, IOSTAT=IOS ) LINE\n IREC = IREC + 1\n IF ( IOS .GT. 0 ) THEN\n WRITE( MESG, 94010 )\n & 'I/O error', IOS, 'reading speciation profile ' //\n & 'file at line', IREC\n CALL M3MESG( MESG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\nC Skip blank and comment lines\n IF ( LINE .EQ. ' ' .OR. LINE( 1:1 ) .EQ. CINVHDR ) CYCLE\n\nC Skip lines that dont reference the requested speciation profile name\n IF ( LINE( 1:1 ) .EQ. '\"' ) THEN\n FILE_SPPRO = LINE( 2: INDEX( LINE,'\"' )-1 )\n IF ( FILE_SPPRO .NE. SPPRO ) CYCLE \n ELSE\n FILE_SPPRO = LINE( 1: ( INDEX( LINE,';' )-1 ) )\n IF ( FILE_SPPRO .NE. SPPRO ) CYCLE \n END IF\n\nC Separate the line of data into each part\n CALL PARSLINE( LINE, NSEGS, SEGMENT )\n\nC Left-justify character strings and convert factors to reals\n SPNPRF = ADJUSTL ( SEGMENT( 1 ) )\n POLNAM = ADJUSTL ( SEGMENT( 2 ) )\n SPECNM = ADJUSTL ( SEGMENT( 3 ) )\n SPLTFAC = STR2REAL( SEGMENT( 4 ) )\n SDIV = STR2REAL( SEGMENT( 5 ) )\n SMFAC = STR2REAL( SEGMENT( 6 ) )\n\nC Search for pollutant in list of valid names, and go to the end of the loop if\nC not found (skip entry)\n PNDX = INDEX1( POLNAM, NSEF, BIOTYPES )\n IF ( PNDX .EQ. 0 ) CYCLE\n SNDX = INDEX1( SPECNM, MSPCS, EMSPC )\n IF ( SNDX .GT. 0 ) THEN\n MLFAC( SNDX,PNDX ) = SPLTFAC / SDIV\n MSFAC( SNDX,PNDX ) = SMFAC\n END IF\n\n END DO ! infinite read loop\n\n2999 CONTINUE ! end reading speciation profile input lines\n\n RETURN\n\nC-----------------------------------------------------------------------\n\n93000 FORMAT( A )\n94010 FORMAT( 10( A, :, I8, :, 1X ) )\n\n END FUNCTION BIOG_INIT\n\n END MODULE BIOG_EMIS\n" }, { "path": "CCTM/src/emis/emis/CMAQ_Control_DESID.nml", "content": "!------------------------------------------------------------------------------!\n! Emission Control Interface !\n! for the !\n! Detailed Emissions Scaling, Isolation, and Diagnostics (DESID) Module, !\n! part of the !\n! Community Multiscale Air Quality (CMAQ) Model !\n! developed and maintained by the !\n! Center for Environmental Measurement and Modeling (CEMM), !\n! Office of Research and Development (ORD) !\n! U.S. Environmental Protection Agency (USEPA) !\n! !\n! This namelist is consistent with CMAQv5.4 (Release AUGUST 2022) !\n! !\n! See CMAQ User's Guide Appendix B and !\n! Murphy et al., Geoscientific Model Development, 14, 3407-3420, !\n! https://doi.org/10.5194/gmd-14-3407-2021, 2021. !\n!------------------------------------------------------------------------------!\n&Desid_Options\n Desid_MaxLays = 0 ! Add all emissions above Desid_MaxLays to the grid cell at \n ! Desid_MaxLays. If Desid_MaxLays = 0, then all model layers are \n ! available for emissions.\n/\n\n!------------------------------------------------------------------------------!\n! Area Normalization Component !\n! Specify area-normalized emission fluxes from input streams. If emission !\n! inputs are provided to CMAQ in area-normalized fluxes for any stream, this !\n! component may be used to convert them correctly to emission rates !\n! appropriate for the model simulation grid projection. For example, if !\n! offline biogenic emissions are provided in units of moles/m2/s, then that !\n! stream may be identified here and DESID can be instructed to adjust each !\n! flux to moles/s and adjust the rates using the map scale factor that !\n! converts emissions in real geographic space into projected grid space. !\n! !\n! Definition of Fields: !\n! 'Stream - Declare a stream. If the label is 'ALL', then the instruction !\n! Label' will be expanded to all OFFLINE streams. !\n! !\n! 'Area Normalization' - If TRUE, then this stream's emissions will be !\n! multiplied by grid cell area. If AUTO, then DESID will deduce !\n! from the units string whether or not each variable on the !\n! stream input file should be multiplied by the area scale !\n! factor. !\n! !\n! 'Projection Adjustment' - If TRUE, then this stream's emissions will be !\n! multiplied by the area Map Scale Factor. If AUTO, then DESID !\n! will inherit the per-stream value from Area Normalization. If !\n! Area Normalization is TRUE, the Projection Adjustment is True !\n!------------------------------------------------------------------------------!\n&Desid_AreaNormVars\n Desid_Max_Area = 30 ! Maximum number of Area Normalization rules\n/\n\n&Desid_AreaNorm\n Desid_Area_Nml =\n ! | Stream Label | Area Normalization | Projection Adjustment \n 'ALL' ,'AUTO' ,'AUTO',\n ! 'GRIDDED' ,'TRUE' ,'TRUE',\n ! 'FIRES' ,'TRUE' ,'FALSE',\n ! 'VCP' ,'FALSE' ,'TRUE',\n/ \n\n!------------------------------------------------------------------------------!\n! Size Distribution Specification Component !\n! Each size distribution rule either modifies the parameters associated with !\n! the aerosol modes of a particular stream, or adds new modes to a particular!\n! stream if they do not already exist. !\n! !\n! Definition of Fields: !\n! 'Stream - Label for the emissions stream that the instruction will !\n! Label' apply to. If the label is 'ALL', then the instruction will !\n! be expanded to apply to all streams. !\n! 'Emission Mode' - With this label, the user identifies which mode from !\n! the emissions is to be modified or created. With this !\n! specificity, multiple streams can be defined and !\n! mapped in the emissions rules. !\n! 'Reference Mode' - This label maps the emissions species aerosol mode !\n! to specific parameters catalogued in the AERO_DATA !\n! module. !\n!------------------------------------------------------------------------------!\n&Desid_SizeDistVars\n Desid_Max_Sd = 10 ! Maximum number of size distribution rules\n/\n\n&Desid_SizeDist\n Desid_Sd_nml = \n\n ! Stream Label | Emiss. Mode | Ref. Mode \n 'ALL' ,'FINE' ,'FINE_REF',\n 'ALL' ,'COARSE' ,'COARSE_REF',\n 'WBDUST' ,'FINE' ,'FINE_WBDUST',\n 'WBDUST' ,'COARSE' ,'COARSE_WBDUST',\n 'SEASPRAY' ,'FINE' ,'FINE_SEASPRAY',\n 'SEASPRAY' ,'COARSE' ,'COARSE_SEASPRAY',\n ! 'AIRCRAFT' ,'FINE' ,'AIR_FINE', !To use these examples, you \n ! 'AIRCRAFT' ,'COARSE' ,'AIR_COARSE', ! must add entries for AIR_FINE\n ! and AIR_COARSE to the data structure\n ! em_aero_ref in AERO_DATA.\n\n/\n\n!------------------------------------------------------------------------------!\n! Region-Based Scaling Specification Component (See User's Guide section B.3) !\n! It is possible in CMAQ to scale emissions for a subset of the model domain !\n! using gridded masks to indicate where the scaling should occur. !\n! !\n! Definition of Fields: !\n! 'Region - Label for the region that is being specified. By default, the!\n! Label' first region, is the whole domain, or \"EVERYWHERE\". It is !\n! 'File - With this label, the user identifies the file that the data for!\n! Label' this region is stored on. The CMAQ runscript should provide the!\n! path to this file (or files) using the environment variable !\n! construct. ! \n! 'Variable - This label identifies the variable on the region file that !\n! on File' should be used to populate this particular region. !\n! !\n! Note that the 'Region Label' and 'Variable on File' fields are case !\n! insensitive. It is required that region variable names on the file be !\n! capitalized. This requirement willl be relaxed in future CMAQ versions. !\n!------------------------------------------------------------------------------!\n&Desid_RegionDefVars\n Desid_Max_Reg = 60 ! Maximum number of region definition rules\n Desid_N_Reg_Fams = 0 ! Exact number of region family definitions\n Desid_Max_Reg_Fam_Members = 100 ! Larger than the number of regions on all\n ! family definitions\n/\n\n&Desid_RegionDef\n Desid_Reg_nml = \n ! Region Label | File_Label | Variable on File\n 'EVERYWHERE' ,'N/A' ,'N/A',\n ! 'WATER' ,'CMAQ_MASKS' ,'OPEN',\n ! 'ALL' ,'CMAQ_MASKS' ,'ALL',\n ! 'ALL' ,'ISAM_REGIONS','ALL',\n/\n\n&Desid_RegionFam\n ! Region Family Definitions\n ! RegionFamilyName(1) = 'Water'\n ! RegionFamilyMembers(1,:)= 'SURF','OPEN'\n\n/\n\n!------------------------------------------------------------------------------!\n! Emissions Scaling Family Definitions !\n! This component includes definitions for families of emission streams and !\n! region combinations. ! \n!------------------------------------------------------------------------------!\n&Desid_StreamFamVars\n Desid_N_Stream_Fams = 0 ! Exact number of stream family definitions\n Desid_Max_Stream_Fam_Members = 20 ! Larger than the number of streams on all \n ! family definitions\n/\n\n&Desid_StreamFam\n! For emission streams available in several run scripts under CCTM/scripts\n! Set Desid_N_Stream_Fams to 1 !!!!!!!\n ! StreamFamilyName(1) = 'PT_SOURCES'\n ! StreamFamilyMembers(1,1:3)= 'PT_NONEGU','PT_EGU','PT_OTHER'\n\n! For emission streams unique in CCTM/src/run_cctm_cracmm_4LISTOS1.csh script\n! Set Desid_N_Stream_Fams to 3 !!!!!!!\n ! Sources that do not have a source-specific POA treatment\n !StreamFamilyName(1) = 'GENERAL_POA'\n !StreamFamilyMembers(1,1:5)= 'GRIDDED_OTHER','GRIDDED_SOLVENTS','PT_CANADA_SOLVENTS','PT_OTHER','PT_US_SOLVENTS'\n ! Diesel-Like Sources\n !StreamFamilyName(2) = 'DIESEL' \n !StreamFamilyMembers(2,1:2)= 'GRIDDED_DIESEL','PT_CMV'\n ! US and Canada Aircraft\n !StreamFamilyName(3) = 'AIRCRAFT'\n !StreamFamilyMembers(3,1:2)= 'GRIDDED_US_AIRCRAFT','PT_CANADA_AIRPORTS'\n\n/\n\n!------------------------------------------------------------------------------!\n! Emissions Diagnostic Output Component !\n! This section allows users to specify individual species for output on !\n! emissions diagnostic output files. !\n! Definition of Fields: !\n! Desid_Diag_Streams_Nml(1:Desid_N_Diag_Rules,:) - The stream names that are !\n! to be exported. In addition to the labels of individual streams, you !\n! may also use stream family names here to identify more than one stream!\n! at a time. By default, each stream family element will instruct CMAQ !\n! to sum all of the streams in that group. The keyword 'ALL' is !\n! available by default to expand a list of all streams individually. The!\n! keyword 'TOTAL' is availble to select the sum of all streams. You may !\n! use a '*' at the beginning of a family name to instruct CMAQ to expand!\n! that keyword and export files for all of the streams in that group. !\n! Desid_Diag_Fmt_Nml(1:Desid_N_Diag_Rules) - the format of every stream !\n! created as a result of the instruction. Options are: !\n! - COLSUM = the column-sum !\n! - 3D = 3D output !\n! - LAYER1 = Just the surface layer !\n! - OFF = Turn Off File !\n! Desid_Diag_Spec_Nml(1:Desid_N_Diag_Rules,:) - The species to be added to !\n! each diagnostic file. Species will only appear on a diagnostic file if!\n! the relevant stream or group of streams for the file have that species!\n! present. The keyword 'ALL' may also be used to easily add all species !\n! of any stream. !\n!------------------------------------------------------------------------------!\n&Desid_DiagVars\n Desid_N_Diag_Rules = 0 ! Exact Number of Diagnostic Rules Below\n Desid_Max_Diag_Streams=20 ! Maximum number of species variables on all rules \n ! below (do not count expansions)\n Desid_Max_Diag_Spec = 80 ! Maximum number of species variables on all rules \n ! below (do not count expansions)\n/\n\n&Desid_Diag\n \n ! Example 1: Print all streams individually to many diagnostic files of 2D \n ! column sums. NO, NO2, total NOX (defined in the chemical family interface\n ! in CMAQ_Control_Misc.nml), bulk ASO4 (all modes), and CO will all be on the \n ! file.\n\n ! Desid_Diag_Streams_Nml(1,:)= 'ALL'\n ! Desid_Diag_Fmt_Nml(1) = 'COLSUM' ! Options: LAYER1, COLSUM, 3D\n ! Desid_Diag_Spec_Nml(1,:) = 'NO','NO2','NOX','ASO4','CO'\n \n\n ! Example 2: Activate the sum of all streams using the keyword TOTAL. This file \n ! will be 3D and will include six variables: 'AEC' = AECI + AECJ + AECK; \n ! 'AECI'; 'NO2'; 'ACLK'; 'AMG' and 'TERP' if those variables are avilable on \n ! the stream.\n\n ! Desid_Diag_Streams_Nml(2,:)= 'TOTAL'\n ! Desid_Diag_Fmt_Nml(2) = '3D' \n ! Desid_Diag_Spec_Nml(2,:) = 'AEC','AECI','NO2','ACLK','AMG','TERP'\n\n \n ! Example 3: Create a diagnostic of the sum of the components of the PT_SOURCES \n ! family (defined in the stream family section). This file will be column sums \n ! and will include all the emitted species as long as they appear on at least \n ! one of the streams within PT_SOURCES.\n\n ! Desid_Diag_Streams_Nml(3,:)= 'PT_SOURCES'\n ! Desid_Diag_Fmt_Nml(3) = 'COLSUM' \n ! Desid_Diag_Spec_Nml(3,:) = 'ALL'\n/\n\n" }, { "path": "CCTM/src/emis/emis/DUST_EMIS.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n module dust_emis\n \nC-----------------------------------------------------------------------\nC Description:\nC * Extracts selected landuse categories from BELD01 and BELD03 and merges\nC * the selections into a dust-related landuse array (ULAND).\n\n\nC Function: 3d point source emissions interface to the chemistry-transport model\n\nC Revision History:\nC 16 Dec 10 J.Young: Adapting Daniel Tong`s work on windblown dust\nC 21 Apr 11 S.Roselle: replaced I/O API include files with UTILIO_DEFN\nC 11 May 11 D.Wong: incorporated twoway model implementation\nC 8 Jul 11 J.Young: unified string lengths in character lists for compiler compatibility\nC 11 Nov 11 J.Young: generalizing land use/cover\nC 8 Jun 12 J.Young: remove full character blank padding for GNU Fortran (GCC) 4.1.2\nC 13 Jul 12 J.Young: following Daniel Tong: changed clayc, siltc, sandc units from mass\nC fraction to %; adjusted F/G (vertical to horizontal flux) ratio\nC to be continuous for clay content > 20%\nC 30 Sep 13 J.Young: corrected diag file units description; added snow cover adjustment;\nC adjusted F/G (vertical to horizontal flux) ratio to be continuous\nC for clay content > 0.2; convert volumetric soil moisture to\nC gravimetric water content; corrected soil moisture factor (fmoit);\nC use lwmask>0 rather than sltyp>0 (non-existent) for over water test\nC 15 Sep 15 H.Foroutan: revised threshold friction velocity parameterization\nC 20 Oct 15 H.Foroutan: Updated the calculation of the threshold velocity(U*t), which is\nC now based on dust particle size, following Shao and Lu [JGR,2000].\nC Implemented a dynamic vegetation fraction based on the MODIS FPAR.\nC Introduced a new parametrization for surface roughness (z0)\nC applicable to dust emission schemes, and accordingly calculated\nC the friction velocity (U*) at the surface using 10m wind speed\nC and the new (microspcopic) surface roughness.\nC Surface roughness adjusted for estimated annual vegetation height.\nC Included drag partitioning coefficient. Updated the calculation of\nC the vertical-to-horizontal flux based on Lu and Shao [JGR,1999].\nC Updated the dust diag output file accordingly.\nC 8 Jan 16 J.Young: Changes for computational efficiency\nC 2 Feb 16 J.Young: move dust aero speciation table to AERO_DATA\nC 01 Feb 19 D.Wong: Implemented centralized I/O approach, removed all MY_N clauses\nC 9 Jul 19 Gilliam: Removed a lot of old commented out legacy tables. \nC Removed the direct read of FPAR MODIS file as this data comes \nC directly from WRF LSM models that have access to MODIS veg data now.\nC Number of soil types fixed to 16 to match WRF and tables updated.\nC 3 Mar 22 Gilliam and Willison: Removed fugitive dust capture from canopies\nC (tfa and tfb terms). Added soil texture information from PX when available.\nC Removed deprecated option concerning erodable agland. Removed BELD as an option\nC for input.\nC-----------------------------------------------------------------------\n use lus_defn\n use aero_data\n use desid_vars\n\n implicit none \n\n public ndust_spc, dust_spc,\n & dust_emis_init, get_dust_emis\n private\n\n real, allocatable, save :: dust_em( :,: ) ! total dust emissions [g/m**3/s]\n\nC updated values of mass fraction for \"freshly emitted dust\"\nC based on Kok [PNAS, 2011] and Nabat et al. [ACP, 2012]\n real, parameter :: fracmj = 0.07 ! mass fraction assigned to accum mode\n real, parameter :: fracmk = 0.93 ! mass fraction assigned to coarse mode\n\nC diam`s from fracmj,fracmk-weighted 2 2-bin averages of geom means\nC 2 J-mode bins: 0.1-1.0, 1.0-2.5 um\nC 2 K-mode bins: 2.5-5.0, 5.0-10.0 um\n real, parameter :: dgvj = 1.3914 ! geom mean diam of accum mode [um]\n real, parameter :: dgvk = 5.2590 ! geom mean diam of coarse mode [um]\n real, parameter :: sigj = 2.0000 ! geom std deviation of accum mode flux\n real, parameter :: sigk = 2.0000 ! geom std deviation of coarse mode flux\n\nC Local Variables:\n\nC Factors for converting 3rd moment emission rates into number and 2nd moment\nC emission rates. (Diameters in [um] changed to [m] ) See Equations 7b and 7c\nC of Binkowski & Roselle (2003)\n real :: l2sgj ! [ln( sigj )] ** 2\n real :: l2sgk ! [ln( sigk )] ** 2\n real, save :: factnumj ! = exp( 4.5 * l2sgj ) / dgvj ** 3 * 1.0e18\n real, save :: factnumk ! = exp( 4.5 * l2sgk ) / dgvk ** 3 * 1.0e18\n real, save :: factm2j ! = exp( 0.5 * l2sgj ) / dgvj * 1.0e6\n real, save :: factm2k ! = exp( 0.5 * l2sgk ) / dgvk * 1.0e6\n real, save :: factsrfj ! = pi * factm2j\n real, save :: factsrfk ! = pi * factm2k\n\n real :: sumsplit, sumfrac\n integer :: n, idx\n\nC Number of soil types: For WRF there are 16 types;\n integer, parameter :: nsltyp = 16\n\nC Variables for the windblown dust diagnostic file:\n integer, parameter :: fndust_diag = 17 ! number of fixed diagnostic output vars\n integer, save :: ndust_diag ! number of diagnostic output vars\n real, allocatable, save :: diagv( : ) ! diagnostic output variables\n real, allocatable, save :: dustbf( :,:,: ) ! diagnostic accumulate buffer\n\n#ifdef verbose_wbdust\n real, allocatable, save :: sdiagv( : ) ! global sum of each diag output var\n#endif\n\n type diag_type\n character( 16 ) :: var\n character( 16 ) :: units\n character( 80 ) :: desc\n end type diag_type\n\n type( diag_type ), allocatable, save :: diagnm( : )\n type( diag_type ), allocatable, save :: vdiagnm_emis( : )\n type( diag_type ), allocatable, save :: vdiagnm_frac( : )\n type( diag_type ), allocatable, save :: vdiagnm_ustar( : )\n type( diag_type ), allocatable, save :: vdiagnm_kvh( : )\n type( diag_type ), allocatable, save :: vdiagnm_rough( : )\n\n character( 10 ) :: truncnm\n character( 16 ) :: vnm\n\n type( diag_type ), parameter :: fdiagnm( fndust_diag ) = (/\nC var units desc\nC ---------------- -------- -------------------------------------------\n & diag_type( 'Cropland_Emis ', 'g m-3 s-1', 'emissions for cropland landuse type '),\n & diag_type( 'Desertland_Emis ', 'g m-3 s-1', 'total emis for desert types and cropland '),\n & diag_type( 'Cropland_Frac ', 'percent ', 'cropland erodible landuse fraction (%) '),\n & diag_type( 'Desertland_Frac ', 'percent ', 'total desert fraction (%) '),\n & diag_type( 'Cropland_Ustar ', 'm s-1 ', 'u* for cropland '),\n & diag_type( 'Cropland_kvh ', 'm-1 ', 'cropland vert to horiz flux ratio '),\n & diag_type( 'Cropland_Rough ', ' ', 'cropland surface roughness factor '),\n & diag_type( 'Soil_Moist_Fac ', ' ', 'soil moisture factor for threshold u* '),\n & diag_type( 'Soil_Erode_Pot ', '1 ', 'soil -> dust erodiblity potential '),\n & diag_type( 'Mx_Adsrb_H2O_Frc', '1 ', 'max adsorbed water fraction '),\n & diag_type( 'Vegetation_Frac ', '1 ', 'vegetation land coverage '),\n & diag_type( 'Urban_Cover ', 'percent ', 'urban land coverage '),\n & diag_type( 'Forest_Cover ', 'percent ', 'forest land coverage '),\n & diag_type( 'ANUMJ ', 's-1', 'accumulation mode number '),\n & diag_type( 'ANUMK ', 's-1', 'coarse mode number '),\n & diag_type( 'ASRFJ ', 'm2 s-1 ', 'accumulation mode surface area '),\n & diag_type( 'ASRFK ', 'm2 s-1 ', 'coarse mode surface area ')/)\n \nC Module shared variables:\n real, allocatable, save :: wmax ( :,: ) ! max adsorb water percent\n real, allocatable, save :: kvh ( :,:,: ) ! ratio of vertical flux / horizontal (k factor)\n real, allocatable, save :: sd_ep ( :,: ) ! soil->dust erodiblity potential\n\n real :: eropot( 3 ) = ! erodible potential of soil components\n & (/ 0.08, ! clay\n & 1.00, ! silt\n & 0.12 /) ! sand\n\n CONTAINS\n\nC=======================================================================\n function dust_emis_init( jdate, jtime, tstep ) result( success )\n\nC Revision History.\nC Aug 12, 15 D. Wong: Replaced MYPE with IO_PE_INCLUSIVE for parallel I/O\nC implementation\n\n use hgrd_defn ! horizontal domain specifications\n use aero_data ! aerosol species definitions\n use asx_data_mod ! meteorology data\n use utilio_defn\n use lus_data_module\n use centralized_io_module\n\nC Arguments:\n integer, intent( in ) :: jdate ! current model date, coded YYYYDDD\n integer, intent( in ) :: jtime ! current model time, coded HHMMSS\n integer, intent( in ) :: tstep ! output time step\n logical success\n\nC Includes:\n include SUBST_FILES_ID ! file name parameters\n\nC Local variables:\n character( 16 ) :: pname = 'DUST_EMIS_INIT'\n character( 16 ) :: vname\n character( 80 ) :: vardesc\n character( 250 ) :: xmsg = ' '\n\n integer status\n integer c, r, i, j, k, l, n, im\n integer idiag, idust, spc\n integer n_mass_emissions\n\n character( 16 ) :: sn\n\n type( diag_type ), allocatable :: diagnm_swap( : )\n\n\nC-----------------------------------------------------------------------\n\n success = .true.\n\n CALL LOG_MESSAGE( LOGDEV, 'Initialize Wind-Blown Dust Emissions' )\n\nC...Populate Master Emissions Map Vector So That Diagnostics \nC can be printed in EMIS_MAP\n DESID_EMVAR( IDUSTSRM )%len = ndust_spc*2\n Allocate( DESID_EMVAR( IDUSTSRM )%arry( ndust_spc*2 ) )\n Allocate( DESID_EMVAR( IDUSTSRM )%units( ndust_spc*2 ) )\n Allocate( DESID_EMVAR( IDUSTSRM )%mw ( ndust_spc*2 ) )\n Allocate( DESID_EMVAR( IDUSTSRM )%used ( ndust_spc*2 ) )\n Allocate( DESID_EMVAR( IDUSTSRM )%conv ( ndust_spc*2 ) )\n Allocate( DESID_EMVAR( IDUSTSRM )%basis( ndust_spc*2 ) )\n Allocate( DESID_EMVAR( IDUSTSRM )%larea( ndust_spc*2 ) )\n Allocate( DESID_EMVAR( IDUSTSRM )%lareaadj( ndust_spc*2 ) )\n DESID_EMVAR( IDUSTSRM )%arry( : ) = 'NOT_AVAILABLE'\n do i = 1,ndust_spc\n IF ( dust_spc( i )%spcfac(1) .NE. 0.0 ) \n & DESID_EMVAR( IDUSTSRM )%arry( i ) = \n & 'PMFINE_' // dust_spc(i)%name\n IF ( dust_spc( i )%spcfac(2) .NE. 0.0 ) \n & DESID_EMVAR( IDUSTSRM )%arry( i+ndust_spc ) = \n & 'PMCOARSE_' // dust_spc(i)%name\n DESID_EMVAR( IDUSTSRM )%mw( i ) = dust_spc(i)%mw\n DESID_EMVAR( IDUSTSRM )%mw( i+ndust_spc ) = dust_spc(i)%mw\n end do\n DESID_EMVAR( IDUSTSRM )%units( : ) = 'G/S'\n DESID_EMVAR( IDUSTSRM )%used ( : ) = .FALSE.\n DESID_EMVAR( IDUSTSRM )%conv ( : ) = 1.0\n DESID_EMVAR( IDUSTSRM )%basis( : ) = 'MASS'\n DESID_EMVAR( IDUSTSRM )%larea( : ) = .FALSE.\n DESID_EMVAR( IDUSTSRM )%lareaadj( : ) = .FALSE.\n \nC...Count the number of mass emissions species\n n_mass_emissions = 0\n do i = 1, ndust_spc\n do j = 1, 2\n if( dust_spc( i )%spcfac( j ) .gt. 0. ) \n & n_mass_emissions = n_mass_emissions + 1 \n end do\n end do \n allocate ( dustoutm( ndust_spc*2,ncols,nrows ),\n & dustoutn( 2,ncols,nrows ),\n & dustouts( 2,ncols,nrows ), stat = status )\n if ( status .ne. 0 ) then\n xmsg = '*** Failure allocating DUSTOUTM, DUSTOUTN, or DUSTOUTS'\n call m3warn ( pname, jdate, jtime, xmsg )\n success = .false.; return\n end if\n\nC Allocate emissions array\n allocate( dust_em( ncols,nrows ), stat = status )\n if ( status .ne. 0 ) then\n xmsg = '*** Failure allocating DUST_EM'\n call m3warn( pname, jdate, jtime, xmsg )\n success = .false.; return\n end if\n\nC Allocate private arrays\n allocate( wmax ( ncols,nrows ),\n & sd_ep ( ncols,nrows ), stat = status)\n if ( status .ne. 0 ) then\n xmsg = '*** Failure allocating WMAX, or SD_EP'\n call m3warn( pname, jdate, jtime, xmsg )\n success = .false.; return\n end if\n wmax = 0.0 ! array assignment\n sd_ep = 0.0 ! array assignment\n\n#ifndef mpas\nC Initialize land use/cover variables\n if ( .not. lus_init( jdate, jtime ) ) then\n xmsg = 'Failure initializing land use module'\n call m3exit( pname, jdate, jtime, xmsg, xstat2 )\n end if\n#endif\n\n if ( dustem_diag ) then ! Open the emissions diagnostic file\n\nC Set up variable diagnostic names (from LUS_DEFN)\n allocate( vdiagnm_emis ( n_dlcat ),\n & vdiagnm_frac ( n_dlcat ),\n & vdiagnm_kvh ( n_dlcat ),\n & vdiagnm_rough( n_dlcat ),\n & vdiagnm_ustar( n_dlcat ), stat = status )\n if ( status .ne. 0 ) then\n xmsg = '*** Failure allocating VDIAGNM_*'\n call m3warn( pname, jdate, jtime, xmsg )\n success = .false.; return\n end if\n vdiagnm_emis = diag_type( ' ', ' ', ' ' ) ! array assignment\n vdiagnm_frac = diag_type( ' ', ' ', ' ' ) ! array assignment\n vdiagnm_ustar = diag_type( ' ', ' ', ' ' ) ! array assignment\n vdiagnm_kvh = diag_type( ' ', ' ', ' ' ) ! array assignment\n vdiagnm_rough = diag_type( ' ', ' ', ' ' ) ! array assignment\n\nC...Set Up Diagnostic Species Variables\n ndust_diag = fndust_diag + 5 * n_dlcat + n_mass_emissions \n\n do i = 1, n_dlcat\n truncnm = vnmld( i )%desc ! char( 10 )\nC... replace embedded spaces (within 16 chars) with \"_\"\nC... replace embedded dashes (within 16 chars) with \"_\"\n l = len_trim( truncnm )\n do k = 1, l\n if ( truncnm( k:k ) .eq. \" \" .or.\n & truncnm( k:k ) .eq. \"-\" ) truncnm( k:k ) = \"_\"\n end do\n vnm = trim( truncnm ) // '_Emis' ! char( 16 )\n vdiagnm_emis( i ) = diag_type( vnm, 'g/m**2/s', vnmld( i )%desc )\n vnm = trim( truncnm ) // '_Frac' ! char( 16 )\n vdiagnm_frac( i ) = diag_type( vnm, 'percent', vnmld( i )%desc )\n vnm = trim( truncnm ) // '_Ustr' ! char( 16 )\n vdiagnm_ustar( i ) = diag_type( vnm, 'm/s', vnmld( i )%desc )\n vnm = trim( truncnm ) // '_Kvh' ! char( 16 )\n vdiagnm_kvh( i ) = diag_type( vnm, '1/m', vnmld( i )%desc )\n vnm = trim( truncnm ) // '_Rough' ! char( 16 )\n vdiagnm_rough( i ) = diag_type( vnm, ' ', vnmld( i )%desc )\n end do\n\nC Allocate diagnostic emissions arrays\n allocate( diagnm( ndust_diag ), ! diag_type\n & diagv ( ndust_diag ),\n & dustbf( ndust_diag,ncols,nrows ), stat = status )\n if ( status .ne. 0 ) then\n xmsg = '*** Failure allocating DIAGNM, DIAGV or DUSTBF'\n call m3warn( pname, jdate, jtime, xmsg )\n success = .false.; return\n end if\n\n#ifdef verbose_wbdust\n allocate( sdiagv( ndust_diag ), stat = status )\n if ( status .ne. 0 ) then\n xmsg = '*** Failure allocating SDIAGV'\n call m3warn( pname, jdate, jtime, xmsg )\n success = .false.; return\n end if\n#endif\n\nC Build the complete diagnostic name array n for MODIS NOAH\n do i = 1, n_dlcat ! 4\n diagnm( i ) = vdiagnm_emis( i )\n end do\n n = n_dlcat + 1\n diagnm( n ) = fdiagnm( 1 ) ! Cropland_Emis\n n = n + 1\n diagnm( n ) = fdiagnm( 2 ) ! Desertland_Emis\n\n do i = 1, n_dlcat\n diagnm( i+n ) = vdiagnm_frac( i )\n end do\n n = n + n_dlcat + 1\n diagnm( n ) = fdiagnm( 3 ) ! Cropland_Frac\n n = n + 1\n diagnm( n ) = fdiagnm( 4 ) ! Desertland_Frac\n\n do i = 1, n_dlcat\n diagnm( i+n ) = vdiagnm_ustar( i )\n end do\n n = n + n_dlcat + 1\n diagnm( n ) = fdiagnm( 5 ) ! Cropland_Ustar\n\n do i = 1, n_dlcat\n diagnm( i+n ) = vdiagnm_kvh( i )\n end do\n n = n + n_dlcat + 1\n diagnm( n ) = fdiagnm( 6 ) ! Cropland_Kvh\n\n do i = 1, n_dlcat\n diagnm( i+n ) = vdiagnm_rough( i )\n end do\n n = n + n_dlcat + 1\n diagnm( n ) = fdiagnm( 7 ) ! Cropland_Rough\n\n n = n - 7 ! add remaining variables in fdiagnm\n do i = 8, fndust_diag \n idiag = i+n\n diagnm( idiag ) = fdiagnm( i )\n end do\n\nC...append diagnostic variables with mass emissions species\n do j = 1, 2\n do i = 1, ndust_spc\n if( dust_spc( i )%spcfac( j ) .eq. 0. ) cycle \n n = 0\n do k = 1, idiag ! determine if dust emissions is already added to diagnostic output\n if( trim( DESID_EMVAR( IDUSTSRM )%ARRY( (j-1)*ndust_spc+i )) \n & .Eq. diagnm( k )%var ) Then\n n = k\n exit\n end if\n end do\n if( n .gt. 0 ) cycle ! skip already added \n \n idiag = idiag + 1\n diagnm( idiag )%var = DESID_EMVAR( IDUSTSRM )%ARRY( (j-1)*ndust_spc+i ) \n diagnm( idiag )%units = 'g/m**3/s'\n\n Select Case( j ) ! assumes only two aerosol modes dust emissions\n Case( 1 )\n diagnm( idiag )%desc = 'fine mode' \n Case( 2 )\n diagnm( idiag )%desc = 'coarse mode' \n end Select\n diagnm( idiag )%desc = Trim( diagnm( idiag )%desc )\n & // ' emissions for ' \n & // Trim( dust_spc( i )%description )\n end do\n end do\n \n! remove unused space in diagnm by deallocated and reallocating to idiag value\n allocate( diagnm_swap( ndust_diag ), stat = status )\n if ( status .ne. 0 ) then\n xmsg = '*** Failure allocating DIAGNM_SWAP'\n call m3warn( pname, jdate, jtime, xmsg )\n success = .false.; return\n end if\n diagnm_swap = diagnm \n\n deallocate( diagnm )\n\n ndust_diag = idiag\n allocate( diagnm( ndust_diag ), stat = status )\n if ( status .ne. 0 ) then\n xmsg = '*** Failure reallocating DIAGNM'\n call m3warn( pname, jdate, jtime, xmsg )\n success = .false.; return\n end if\n diagnm( 1:ndust_diag ) = diagnm_swap( 1:ndust_diag )\n deallocate( diagnm_swap )\n\n if ( io_pe_inclusive )\n & call opdust_emis ( stdate, sttime, tstep, ndust_diag, diagnm )\n\n end if ! dustem_diag\n\n l2sgj = log( sigj ) * log( sigj )\n l2sgk = log( sigk ) * log( sigk )\n\nC Factors for converting 3rd moment emission rates into number and 2nd moment\nC emission rates. (Diameters in [um] changed to [m] ) See Equations 7b and 7c\nC of Binkowski & Roselle (2003)\n factnumj = 1.0e18 * exp( 4.5 * l2sgj ) / dgvj ** 3\n factnumk = 1.0e18 * exp( 4.5 * l2sgk ) / dgvk ** 3\n factm2j = 1.0e06 * exp( 0.5 * l2sgj ) / dgvj\n factm2k = 1.0e06 * exp( 0.5 * l2sgk ) / dgvk\n factsrfj = pi * factm2j\n factsrfk = pi * factm2k\n\n#ifdef verbose_wbdust\n write( logdev,* ) ' '\n write( logdev,* ) ' l2sgj,l2sgk: ', l2sgj, l2sgk\n write( logdev,* ) ' factnumj,factnumk: ', factnumj, factnumk\n write( logdev,* ) ' factm2j,factm2k: ', factm2j, factm2k\n write( logdev,* ) ' factsrfj,factsrfk: ', factsrfj, factsrfk\n write( logdev,* ) ' '\n#endif\n\n end function dust_emis_init\n\nC=======================================================================\n subroutine opdust_emis ( jdate, jtime, tstep, ndust_var, dust_var )\n\nC 27 Dec 10 J.Young: initial\n\n use grid_conf ! horizontal & vertical domain specifications\n use utilio_defn\n\n implicit none\n\n include SUBST_FILES_ID ! file name parameters\n\nC Arguments:\n integer, intent( in ) :: jdate ! current model date, coded YYYYDDD\n integer, intent( in ) :: jtime ! current model time, coded HHMMSS\n integer, intent( in ) :: tstep ! output time step\n integer, intent( in ) :: ndust_var\n type( diag_type ), intent( in ) :: dust_var( : )\n\nC Local variables:\n character( 16 ) :: pname = 'OPDUST_EMIS'\n character( 96 ) :: xmsg = ' '\n\n integer v, l ! loop induction variables\n\nC-----------------------------------------------------------------------\n\n#ifndef mpas\nC Try to open existing file for update\n if ( .not. open3( ctm_dust_emis_1, fsrdwr3, pname ) ) then\n xmsg = 'Could not open CTM_DUST_EMIS_1 for update - '\n & // 'try to open new'\n call m3mesg( xmsg )\n\nC Set output file characteristics based on COORD.EXT and open diagnostic file\n ftype3d = grdded3\n sdate3d = jdate\n stime3d = jtime\n tstep3d = tstep\n call nextime( sdate3d, stime3d, tstep3d ) ! start the next hour\n\n nvars3d = ndust_var\n ncols3d = gl_ncols\n nrows3d = gl_nrows\n nlays3d = 1\n nthik3d = 1\n gdtyp3d = gdtyp_gd\n p_alp3d = p_alp_gd\n p_bet3d = p_bet_gd\n p_gam3d = p_gam_gd\n xorig3d = xorig_gd\n yorig3d = yorig_gd\n xcent3d = xcent_gd\n ycent3d = ycent_gd\n xcell3d = xcell_gd\n ycell3d = ycell_gd\n vgtyp3d = vgtyp_gd\n vgtop3d = vgtop_gd\n! vgtpun3d = vgtpun_gd ! currently, not defined\n do l = 1, nlays3d + 1\n vglvs3d( l ) = vglvs_gd( l )\n end do\n gdnam3d = grid_name ! from HGRD_DEFN\n\n do v = 1, nvars3d\n vtype3d( v ) = m3real\n vname3d( v ) = dust_var( v )%var\n units3d( v ) = dust_var( v )%units\n vdesc3d( v ) = dust_var( v )%desc\n end do\n\n fdesc3d( 1 ) = 'windblown dust parameters, variables, and'\n fdesc3d( 2 ) = 'hourly layer-1 windblown dust emission rates'\n do l = 3, mxdesc3\n fdesc3d( l ) = ' '\n end do\n\nC Open windblown dust emissions diagnostic file\n if ( .not. open3( ctm_dust_emis_1, fsnew3, pname ) ) then\n xmsg = 'Could not create the CTM_DUST_EMIS_1 file'\n call m3exit( pname, sdate3d, stime3d, xmsg, xstat1 )\n end if\n\n end if\n#endif\n\n return\n\n end subroutine opdust_emis\n\nC=======================================================================\n subroutine get_dust_emis( jdate, jtime, tstep, rjacm, cellhgt,\n & l_desid_diag)\n\n use grid_conf ! horizontal & vertical domain specifications\n use asx_data_mod ! meteorology data\n use aero_data\n use utilio_defn\n use lus_data_module\n use centralized_io_module\n use RUNTIME_VARS, only: WRF_V4P\n#ifdef mpas\n use util_module, only : index1, time2sec\n#endif\n\nC 8/18/11 D.Wong: incorporated twoway model implementation and change\nC RC -> RCA and RN -> RNA and made it backward compatible\nC 8/12/15 D.Wong: added code to handle parallel I/O implementation\n\nC Arguments:\n integer, intent( in ) :: jdate ! current model date, coded YYYYDDD\n integer, intent( in ) :: jtime ! current model time, coded HHMMSS\n integer, intent( in ) :: tstep( 3 ) ! output time step, sync step, 2way step\n real, intent( in ) :: rjacm( ncols,nrows ) ! reciprocal Jacobian [1/m]\n real, intent( in ) :: cellhgt(:,:) ! grid-cell height [sigma]\n logical, intent( in ) :: l_desid_diag ! flag determining whether or not DESID \n ! is in diagnostic mode\n\nC Includes:\n include SUBST_FILES_ID ! file name parameters\n\nC External Functions:\n \nC Parameters:\n integer, parameter :: ndp = 4 ! number of soil texture type particle sizes:\n ! 1 Coarse sand\n ! 2 Fine-medium sand\n ! 3 Silt\n ! 4 Clay\n\n real, parameter :: f6dpi = 6.0 / pi\n\n real, parameter :: mv = 0.16\n real, parameter :: sigv = 1.45\n real, parameter :: betav = 202.0\n real, parameter :: sigv_mv = sigv * mv ! = 0.232\n real, parameter :: betav_mv = betav * mv ! = 32.32\n real, parameter :: mb = 0.5\n real, parameter :: sigb = 1.0\n real, parameter :: betab = 90.0\n real, parameter :: sigb_mb = sigb * mb ! = 0.5\n real, parameter :: betab_mb = betab * mb ! = 45.0\n\n character( 16 ) :: pname = 'GET_DUST_EMIS'\n character( 16 ) :: vname\n character( 96 ) :: xmsg\n integer status\n integer c, r, j, m, n, v, isd\n\n integer, save :: wstep = 0 ! local write counter\n integer :: mdate, mtime ! diagnostic file write date&time\n\n ! automatic arrays\n real :: fmoit ( ncols,nrows ) ! factor of soil moisture on u*t\n real :: soimt ( ncols,nrows ) ! gravimetric soil moisture (Kg/Kg)\n real :: wrbuf ( ncols,nrows ) ! diagnositc write buffer\n real :: vegfrac( ncols,nrows ) ! vegetation fraction\n real :: vegfree ! 1.0 - vegfrac for this col, row\n real :: lai ( ncols,nrows ) ! leaf area index\n\n real, allocatable, save :: ustr ( :,:,: ) ! U* [m/s]\n real, allocatable, save :: qam ( :,:,: ) ! emis for landuse type [g/m**2/s]\n real, allocatable, save :: elus ( :,:,: ) ! erodible landuse percent (0~100)\n real, allocatable, save :: fruf ( :,:,: ) ! surface roughness factor\n\n real :: edust( 2 ) ! mass emis rate [g/s] per mode (only accum & coarse)\n real :: sumdfr ! sum var for desert fraction\n real :: rlay1hgt ! reciprocal of layer-1 height [1/m]\n real :: m3j ! 3rd moment accumulation (J) mode emis rates [m3/m3/s]\n real :: m3k ! 3rd moment coarse mode (K) emis rates [m3/m3/s]\n real :: fruf2 ! surface roughness factor squared\n\n character( 16 ), save :: rc_name, rn_name ! new names: RC -> RCA, RN -> RNA\n logical, save :: firstime = .true.\n\n real :: lambda, vegheight\n real :: z0\n real :: lambdav ! vegetation roughness density - Shao et. al [Aus. J. Soil Res., 1996]\n real :: flxfac1, flxfac2 ! combined soli type mapping factors\n real :: hflux, vflux ! horizontal and vertical dust flux\n real :: jday\n integer :: emap( n_dlcat+1 )\n\nC---Height for veg elements\n real :: hv( 4 )\n\nC---Roughness density for solid elements\nC from Darmenova et al. [JGR,2009] and Xi and Sokolik [JGR,2015]\n real :: lambdab( 4 ) =\n & (/ 0.03, ! shrubland\n & 0.04, ! shrubgrass\n & 0.0001, ! barrenland\n & 0.15 /) ! cropland\n\nC---Compound for computational efficiency\n real :: hb_lambdab( 4 ) =\n & (/ 6.0e-04, ! shrubland\n & 8.0e-04, ! shrubgrass\n & 2.0e-06, ! barrenland\n & 3.0e-03 /) ! cropland\n\nC converted to gravimetric [kg/kg]\n real :: soilml1( nsltyp ) =\n & (/ 0.242, ! Sand\n & 0.257, ! Loamy Sand\n & 0.286, ! Sandy Loam\n & 0.350, ! Silt Loam\n & 0.350, ! Silt\n & 0.307, ! Loam\n & 0.277, ! Sandy Clay Loam\n & 0.350, ! Silty Clay Loam\n & 0.332, ! Clay Loam\n & 0.284, ! Sandy Clay\n & 0.357, ! Silty Clay\n & 0.344, ! Clay\n & 0.329, ! Organic Material\n & 0.000, ! Water\n & 0.170, ! BedRock\n & 0.280 /) ! Other\n\nC---Soil texture: the amount of\nC 1: Coarse sand, 2: Fine-medium sand, 3: Silt, 4: Clay\nC in each soil type [Kg/Kg]. from Menut et al. [JGR,2013]\n real :: soiltxt( nsltyp,ndp ) = reshape (\n & (/ 0.46, 0.46, 0.05, 0.03, ! Sand\n & 0.41, 0.41, 0.18, 0.00, ! Loamy Sand\n & 0.29, 0.29, 0.32, 0.10, ! Sandy Loam\n & 0.00, 0.17, 0.70, 0.13, ! Silt Loam\n & 0.00, 0.10, 0.85, 0.05, ! Silt\n & 0.00, 0.43, 0.39, 0.18, ! Loam\n & 0.29, 0.29, 0.15, 0.27, ! Sandy Clay Loam\n & 0.00, 0.10, 0.56, 0.34, ! Silty Clay Loam\n & 0.00, 0.32, 0.34, 0.34, ! Clay Loam\n & 0.00, 0.52, 0.06, 0.42, ! Sandy Clay\n & 0.00, 0.06, 0.47, 0.47, ! Silty Clay\n & 0.00, 0.22, 0.20, 0.58, ! Clay\n & 0.00, 0.00, 0.00, 0.00, ! Organic Material\n & 0.00, 0.00, 0.00, 0.00, ! Water\n & 0.00, 0.00, 0.00, 0.00, ! BedRock\n & 0.00, 0.00, 0.00, 0.00 /), ! Other\n & (/ nsltyp,4 /), order = (/ 2,1 /) ) ! fill columns first\n\n\nC---Mean mass median particle diameter (m) for each soil texture type\nC Chatenet et al. [Sedimentology,1996] and Menut et al. [JGR,2013]\n real :: dp( ndp ) =\n & (/ 690.0E-6, ! Coarse sand\n & 210.0E-6, ! Fine-medium sand\n & 125.0E-6, ! Silt\n & 2.0E-6 /) ! Clay\nC---Soil texture vars of the grid cell\n real :: soiltxt_gcell( ndp )\n real :: clay, csand, fmsand, sandf, siltf\n\n\n#ifdef verbose_wbdust\n integer dryhit\n integer dusthit\n#endif\n\nC-----------------------------------------------------------------------\n\n if ( firstime ) then\n firstime = .false.\n allocate ( ustr( ncols,nrows,n_dlcat+1 ),\n & qam( ncols,nrows,n_dlcat+1 ),\n & fruf( ncols,nrows,n_dlcat+1 ),\n & kvh( ncols,nrows,n_dlcat+1 ),\n & elus( ncols,nrows,n_dlcat+1 ), stat = status )\n if ( status .ne. 0 ) then\n xmsg = '*** Failure allocating USTR, QAM, FRUF, KVH, or ELUS'\n call m3exit( pname, jdate, jtime, xmsg, xstat1 )\n end if\n end if\n\n\nC---Get Julian day number in year\n jday = float( mod( jdate,1000 ) )\n\nC---Vegetation height dynamically changed based on the month of the year\nC Veg. heights in [m] for 1: Shrubland 2: shrubgrass 3: barrenland 4: Cropland\nC following the idea of Xi and Sokolik [JGR,2015]\n if ( jday .gt. 59 .and. jday .le. 90 ) then ! Mar\n hv = (/ 0.15 , 0.05 , 0.10 , 0.05 /)\n else if ( jday .gt. 90 .and. jday .le. 120 ) then ! Apr\n hv = (/ 0.15 , 0.10 , 0.10 , 0.05 /)\n else if ( jday .gt. 120 .and. jday .le. 151 ) then ! May\n hv = (/ 0.12 , 0.20 , 0.10 , 0.10 /)\n else if ( jday .gt. 151 .and. jday .le. 181 ) then ! Jun\n hv = (/ 0.12 , 0.15 , 0.10 , 0.30 /)\n else if ( jday .gt. 181 .and. jday .le. 212 ) then ! Jul\n hv = (/ 0.10 , 0.12 , 0.10 , 0.50 /)\n else if ( jday .gt. 212 .and. jday .le. 243 ) then ! Aug\n hv = (/ 0.10 , 0.12 , 0.10 , 0.50 /)\n else if ( jday .gt. 243 .and. jday .le. 273 ) then ! Sep\n hv = (/ 0.10 , 0.10 , 0.10 , 0.30 /)\n else if ( jday .gt. 273 .and. jday .le. 304 ) then ! Oct\n hv = (/ 0.05 , 0.08 , 0.10 , 0.10 /)\n else ! Nov-Feb\n hv = (/ 0.05 , 0.05 , 0.05 , 0.05 /)\n end if\n\n#ifdef verbose_wbdust\n dryhit = 0\n dusthit = 0\n#endif\n\nC Initialize windblown dust diagnostics output buffer\n if ( dustem_diag .and. wstep .eq. 0 .and. .not. l_desid_diag ) then\n dustbf = 0.0 ! array assignment\n#ifdef verbose_wbdust\n sdiagv = 0.0 ! array assignment\n#endif\n end if\n\nC set erodible landuse map\n do m = 1, n_dlcat\n emap( m ) = dmap( m ) ! dmap maps to one of the 3 BELD3 desert types\n end do\n emap( n_dlcat+1 ) = 4\nC Check PX soil texture data flag and log a message if or if not used in WB dust\n if(PXSOIL_AVAIL) then\n CALL LOG_MESSAGE( LOGDEV, '================== Windblown Dust Message =====================' )\n CALL LOG_MESSAGE( LOGDEV, ' WRFV4.1+ inputs have extra PX LSM soil texture and props used.' )\n CALL LOG_MESSAGE( LOGDEV, ' Clay, coarse and fine-medium sand from PX LSM not lookup tables.' )\n else\n CALL LOG_MESSAGE( LOGDEV, '================== Windblown Dust Message =====================' )\n CALL LOG_MESSAGE( LOGDEV, ' Clay, coarse and fine-medium sand from internal lookup table.' )\n end if\n\nC --------- ###### Start Main Loop ###### ---------\n \n do r = 1, nrows\n do c = 1, ncols\n dust_em( c,r ) = 0.0\n soimt( c,r ) = 0.0\n fmoit( c,r ) = 0.0 ! for diagnostic output visualization\n vegfrac( c,r ) = 0.0\n do m = 1, n_dlcat+1\n ustr( c,r,m ) = 0.0 ! for diagnostic output visualization\n qam ( c,r,m ) = 0.0\n elus( c,r,m ) = 0.0\n fruf( c,r,m ) = 0.0\n kvh ( c,r,m ) = 0.0\n end do\n \n rlay1hgt = rjacm ( c,r ) / cellhgt(c,r)\n\n\nC--- Set Clay, coarse and fine/medium sand fractions.\nC--- If value from WRF is missing (-9999.) use old table values\nC-- If value from WRF is from WRFV4.1 PX LSM csand_px, etc use those\n j = Grid_Data%sltyp( c,r )\n\n if (.not. WRF_V4P) then\nC Adjust WRF soil definitions to match internal Menut et al. [JGR,2013] Table\n if ( j .gt. 4 ) j = j + 1 \n if ( j .gt. 13 ) j = 13 \n end if\n\n if(PXSOIL_AVAIL) then\n clay = Grid_Data%clay_px(c,r)\n csand = Grid_Data%csand_px(c,r)\n fmsand = Grid_Data%fmsand_px(c,r)\n else\n csand = soiltxt(j,1)\n fmsand = soiltxt(j,2)\n clay = soiltxt(j,4)\n end if\n\n sandf = csand + fmsand\n siltf = 1.0 - clay - sandf\n\n\nC---Vegetation fraction based on the WRF/MCIP VEG variable. In WRF that would be VEGF_PX\nC-- for the case of PX and VEGFRA in the case of other LSMs. In more recent WRFv4+ versions\nC-- high resolution MODIS veg data is availiable and can be used in PX with pxlsm_modis_veg = 1\n vegfrac( c,r ) = max( min( Met_Data%veg(c,r), 0.95 ), 0.005)\n vegfree = 1.0 - vegfrac( c,r )\n lambdav = -0.35 * log( vegfree ) ! Shao et al. [Aus. J. Soil Res.,1996]\n\nC---Dust possiblity only if 1. not over water \nC 2. rain < 1/100 in. (1 in. = 2.540 cm)\nC 3. not snow-covered\nC 4. if soimt <= limit\nC 5. desert type or ag landuse\nC 6. erodible landuse\nC 7. friction velocity > threshold\n\n if ( ( Grid_Data%lwmask( c,r ) .gt. 0.0 ) .and.\n & ( Met_Data%rn( c,r ) + Met_Data%rc( c,r ) .le. 0.0254 ) .and. ! rn, rc = [cm]\n & ( Met_Data%snocov( c,r ) .lt. 0.001 ) ) then ! less than 0.1% snow coverage\nC---Dust possiblity 1,2,3\n\n\nC Calculate maximum amount of the adsorbed water\nC w` = 0.0014(%clay)**2 + 0.17(%clay) - w` in %\nC Fecan et al. [1999,Annales Geophys.,17,144-157]\n wmax( c,r ) = ( 14.0 * clay + 17.0 ) * clay ! [%]\n\n! write( logdev,'( 2x, a, i8.6, f12.5 )' ) 'max wmax:', jtime, maxval( wmax )\n\nC Change soil moisture units from volumetric (m**3/m**3) to gravimetric (Kg/Kg)\n soimt( c,r ) = Met_Data%soim1( c,r ) \n & * 1000.0 / ( 2650.0 * ( 0.511 + 0.126 * sandf ) )\n\n if ( soimt( c,r ) .le. soilml1( j ) ) then\nC---Dust possiblity 4\n\n#ifdef verbose_wbdust\n dryhit = dryhit + 1\n#endif\n\nC---Soil moisture effect on U*t\n if ( soimt( c,r ) .le. 0.01 * wmax( c,r ) ) then ! wmax in [%]\n fmoit( c,r ) = 1.0\n else\n fmoit( c,r ) = sqrt( 1.0 + 1.21\n & * ( 100.0 * soimt( c,r ) - wmax( c,r ) ) ** 0.68 )\n end if\n\nC---Erodibility potential of soil component\n sd_ep( c,r ) = clay * eropot( 1 )\n & + siltf * eropot( 2 ) + sandf * eropot( 3)\n\nC---Lu and Shao [JGR,1999] and Kang et al. [JGR,2011]\nC First, mapping soil types into 4 main soil types following Kang et al. [JGR,2011]\n select case ( j )\n case( 1, 2 ) ! sand\n ! pp = 5000.0\n ! calpha = 0.001\n ! pfrac = 0.06\n ! flxfac1 = calpha * 9.81 * pfrac * 500.0 / pp\n flxfac1 = 5.886e-05\n ! flxfac2 = 2.09 * sqrt( 2650.0 / pp )\n flxfac2 = 1.5215430\n case( 3, 4, 6, 8, 9 ) ! loam\n ! pp = 10000.0\n ! calpha = 0.0006\n ! pfrac = 0.18\n ! flxfac1 = calpha * 9.81 * pfrac * 500.0 / pp\n flxfac1 = 5.2974e-05\n ! flxfac2 = 2.09 * sqrt( 2650.0 / pp )\n flxfac2 = 1.0758933\n case( 7 ) ! sandy clay loam\n ! pp = 10000.0\n ! calpha = 0.0006\n ! pfrac = 0.32\n ! flxfac1 = calpha * 9.81 * pfrac * 500.0 / pp\n flxfac1 = 9.4176e-05\n ! flxfac2 = 2.09 * sqrt( 2650.0 / pp )\n flxfac2 = 1.0758933\n case( 5, 10, 11, 12 ) ! clay\n ! pp = 30000.0\n ! calpha = 0.0002\n ! pfrac = 0.72\n ! flxfac1 = calpha * 9.81 * pfrac * 500.0 / pp\n flxfac1 = 2.3544e-05\n ! flxfac2 = 2.09 * sqrt( 2650.0 / pp )\n flxfac2 = 0.1964303\n case default ! others -- no dust\n ! pp = 100000.0\n ! calpha = 1.0\n ! pfrac = 0.0\n ! flxfac1 = calpha * 9.81 * pfrac * 500.0 / pp\n flxfac1 = 0.0\n ! flxfac2 = 2.09 * sqrt( 2650.0 / pp )\n flxfac2 = 0.3402273\n end select\n\n do m = 1, n_dlcat ! desert type landuse category\n elus( c,r,m ) = ladut( c,r,m ) * vegfree ! desert land [%]\n end do\n \nC ------- Start Loop Over Erodible Landuse ----\n \n do m = 1, n_dlcat+1 ! desert type & crop landuse categories\n\n if ( elus( c,r,m ) .gt. 100.0 .or. elus( c,r,m ) .lt. 0.0 ) then\n write( xmsg,2009 ) elus( c,r,m ), c, r, m\n call m3exit( pname, jdate, jtime, xmsg, xstat1 )\n end if\n\n if ( elus( c,r,m ) .gt. 0.0 ) then\n\n n = emap( m )\n lambda = lambdab( n ) + lambdav\n vegheight = ( hb_lambdab( n ) + hv( n ) * lambdav ) / lambda\n\nC---New parametrization for surface roughness by H. Foroutan - Oct. 2015\n if ( lambda .le. 0.2 ) then\n z0 = 0.96 * ( lambda ** 1.07 ) * vegheight \n else\n z0 = 0.083 * ( lambda ** ( -0.46 ) ) * vegheight \n end if\n\nC---Calculate friction velocity (U*) at the surafce applicable to dust emission \n ustr( c,r,m ) = karman * Met_Data%WSPD10( c,r ) / log ( 10.0 / z0 )\n\nC---Roughness effect on U*t (Drag partitioning)\nC Xi and Sokolik [JGR,2015]\n fruf2 = ( 1.0 - sigv_mv * lambdav )\n & * ( 1.0 + betav_mv * lambdav )\n & * ( 1.0 - sigb_mb * lambdab( n ) / vegfree ) \n & * ( 1.0 + betab_mb * lambdab( n ) / vegfree )\n\n if( fruf2 .gt. 1.0 ) then\n\n fruf( c,r,m ) = sqrt( fruf2 )\n else \n fruf( c,r,m ) = 10.0\n end if\n\nC---Vert-to-Horiz dust flux ratio : Kang et al. [JGR, 2011] : Eq. (12)\n! kvh( c,r,m ) = ( calpha * 9.81 * pfrac * 1000.0 / 2.0 / pp )\n! & * ( 0.24 + 2.09 * ustr( c,r,m ) * sqrt( 2650.0 / pp ) )\n kvh( c,r,m ) = flxfac1 * ( 0.24 + flxfac2 * ustr( c,r,m ) )\n soiltxt_gcell(1) = csand\n soiltxt_gcell(2) = fmsand\n soiltxt_gcell(3) = siltf\n soiltxt_gcell(4) = clay\n hflux = dust_hflux( ndp, dp,\n & soiltxt_gcell( : ),\n & fmoit( c,r ),\n & fruf( c,r,m ),\n & ustr( c,r,m ),\n & sd_ep( c,r ),\n & Met_Data%dens1( c,r ) )\n vflux = hflux * kvh( c,r,m ) ! [g/m**2/s]\n qam( c,r,m ) = qam( c,r,m ) + vflux * rlay1hgt\n & * ( elus( c,r,m ) * 0.01 ) ! [g/m**3/s]\n end if ! if erodible land\n\n if ( elus( c,r,m ) .eq. 0.0 .and. qam( c,r,m ) .ne. 0.0 ) then\n xmsg = 'Erodible land use = 0, but emissions .ne. 0'\n call m3exit( pname, jdate, jtime, xmsg, xstat1 )\n end if\n\n dust_em( c,r ) = dust_em( c,r ) + qam( c,r,m )\n\n end do ! m landuse\n \nC ------- End Loop Over Erodible Landuse ----\n \n\n end if ! if soil moisture\n end if ! if rain & land & snow\n\n end do ! c\n end do ! r\n\nC --------- ###### End Main Loop ##### ---------\n\n#ifdef verbose_wbdust\n write( logdev,'( /5x, a, 1x, 2i8 )' ) 'dry hit count, \n & out of total cells:',\n & dryhit, (c-1)*(r-1)\n#endif\n\n do r = 1, nrows\n do c = 1, ncols\n\nC J/K mass emis rate [g/m3/s] (edust( 1 ) not used)\n edust( 1 ) = fracmj * dust_em( c,r )\n edust( 2 ) = fracmk * dust_em( c,r )\n\n do n = 1,2\n do v = 1, ndust_spc\n dustoutm( (n-1)*ndust_spc+v,c,r ) = \n & edust( n ) * dust_spc( v )%spcfac( n )\n end do\n end do\n\nC J/K 3rd moment emis rate [m3/m3/s] (needed for number and surface)\n m3j = edust( 1 ) * f6dpi / ( gpkg * dust_dens( 1 ) ) + TINY(0.0)\n m3k = edust( 2 ) * f6dpi / ( gpkg * dust_dens( 2 ) ) + TINY(0.0)\n\nC Mode-specific emission rates of particle number [1/m3/s]\n dustoutn( 1,c,r ) = m3j * factnumj\n dustoutn( 2,c,r ) = m3k * factnumk\n\nC Mode-specific dry surface area emission rates [m**2/m3/s].\nC 2nd moment multiplied by PI to obtain the surface area emissions rate.\n dustouts( 1,c,r ) = m3j * factsrfj\n dustouts( 2,c,r ) = m3k * factsrfk\n\n! Propagate Number and Surface Area Scaling Factors back to Emissions\n! Module so that the dust emissions can be scaled appropriately \n ISD = INDEX1( 'FINE', DESID_STREAM_AERO( IDUSTSRM )%LEN, \n & DESID_STREAM_AERO( IDUSTSRM )%NAME )\n DESID_STREAM_AERO( IDUSTSRM )%FACNUM( ISD,2 ) = FACTNUMJ\n DESID_STREAM_AERO( IDUSTSRM )%FACSRF( ISD,2 ) = FACTSRFJ\n \n ISD = INDEX1( 'COARSE', DESID_STREAM_AERO( IDUSTSRM )%LEN, \n & DESID_STREAM_AERO( IDUSTSRM )%NAME )\n DESID_STREAM_AERO( IDUSTSRM )%FACNUM( ISD,3 ) = FACTNUMK\n DESID_STREAM_AERO( IDUSTSRM )%FACSRF( ISD,3 ) = FACTSRFK\n\n#ifdef verbose_wbdust\n if ( m3j .ne. 0.0 ) dusthit = dusthit + 1\n#endif\n\n if ( dustem_diag .and. .not. l_desid_diag ) then\n do m = 1, n_dlcat+1\n diagv( m ) = qam( c,r,m ) ! g/m**3/s\n end do\n n = n_dlcat + 2\n diagv( n ) = dust_em( c,r ) ! g/m**3/s\n\n sumdfr = 0.0\n do m = 1, n_dlcat+1\n diagv( m+n ) = elus( c,r,m )\n sumdfr = sumdfr + elus( c,r,m )\n end do\n n = n + n_dlcat + 2\n diagv( n ) = sumdfr\n\n do m = 1, n_dlcat+1\n diagv( m+n ) = ustr( c,r,m )\n end do\n n = n + n_dlcat + 1\n\n do m = 1, n_dlcat+1\n diagv( m+n ) = kvh( c,r,m )\n end do\n n = n + n_dlcat + 1\n\n do m = 1, n_dlcat+1\n diagv( m+n ) = fruf( c,r,m )\n end do\n n = n + n_dlcat + 1\n\n diagv( n+1 ) = fmoit( c,r ) ! 'Soil_Moist_Fac '\n diagv( n+2 ) = sd_ep( c,r ) ! 'Soil_Erode_Pot '\n diagv( n+3 ) = wmax ( c,r ) ! 'Mx_Adsrb_H2O_Frc'\n diagv( n+4 ) = vegfrac( c,r ) ! 'Vegetation_Frac '\n diagv( n+5 ) = uland( c,r,3 ) ! 'Urban_Cover '\n diagv( n+6 ) = uland( c,r,4 ) ! 'Forest_Cover '\n\n n = n + 6\n\n! accum and coarse mode number density emissions\n diagv( n+1 ) = dustoutn( 1,c,r )\n diagv( n+2 ) = dustoutn( 2,c,r )\n! accum and coarse mode surface area density emissions\n diagv( n+3 ) = dustouts( 1,c,r )\n diagv( n+4 ) = dustouts( 2,c,r )\n \n n = n + 4\n m = 0\n do v = 1, ndust_spc\n if ( dust_spc( v )%spcfac( 1 ) .gt. 0. ) then ! accum. mode mass emissions\n m = m + 1\n diagv( m+n ) = dustoutm( v,c,r )\n end if\n end do\n\n do v = 1, ndust_spc\n if ( dust_spc( v )%spcfac( 2 ) .gt. 0. ) then ! coarse mode mass emissions\n m = m + 1\n diagv( m+n ) = dustoutm( v+ndust_spc,c,r )\n end if\n end do\n\n n = n + m\n\nC Multiply by sync step because when write to output we divide by the output step\nC to get a timestep average.\n do v = 1, ndust_diag\n dustbf( v,c,r ) = dustbf( v,c,r ) + diagv( v )\n & * float( time2sec( tstep( 2 ) ) )\n#ifdef verbose_wbdust\n sdiagv( v ) = sdiagv( v ) + diagv( v )\n & * float( time2sec( tstep( 2 ) ) )\n#endif\n end do\n end if ! dustem_diag\n end do ! col\n end do ! row\n\n#ifdef verbose_wbdust\n write( logdev,'( 5x, a, 2i8 / )' ) 'dust hit count, out of total cells:',\n & dusthit, (c-1)*(r-1)\n#endif\n\n#ifndef mpas\n if ( dustem_diag .and. .not. l_desid_diag ) then\n\nC If last call this hour, write out the windblown dust emissions dignostics.\nC Then reset the emissions array and local write counter.\n\n wstep = wstep + time2sec( tstep( 2 ) )\n\n if ( wstep .ge. time2sec( tstep( 1 ) ) ) then\n if ( .not. currstep( jdate, jtime, stdate, sttime, tstep( 1 ),\n & mdate, mtime ) ) then\n xmsg = 'Cannot get step date and time'\n call m3exit( pname, jdate, jtime, xmsg, xstat3 )\n end if\n call nextime( mdate, mtime, tstep( 1 ) )\n\n#ifdef verbose_wbdust\n sdiagv = sdiagv / float( wstep ) ! array assignment\n write( logdev,2015 ) jdate, jtime\n do v = 1, ndust_diag\n if ( diagnm( v )%var(1:4) .ne. 'ANUM' ) then\n write( logdev,2019 ) v, diagnm( v )%var, sdiagv( v )\n else\n write( logdev,2023 ) v, diagnm( v )%var, sdiagv( v )\n end if\n end do\n sdiagv = 0.0 ! array assignment\n#endif\n do v = 1, ndust_diag\n do r = 1, nrows\n do c = 1, ncols\n wrbuf( c,r ) = dustbf( v,c,r ) / float( wstep )\n end do\n end do\n\n if ( .not. WRITE3( ctm_dust_emis_1, diagnm( v )%var,\n & mdate, mtime, wrbuf ) ) then\n xmsg = 'Could not write ' // trim( diagnm( v )%var )\n & // ' to CTM_DUST_EMIS_1'\n call m3exit( pname, mdate, mtime, xmsg, xstat1 )\n end if\n end do\n write( logdev,'( /5x, 2( a, 1x ), i8, \":\", i6.6 )' )\n & 'Timestep written to CTM_DUST_EMIS_1',\n & 'for date and time', mdate, mtime\n wstep = 0\n dustbf = 0.0 ! array assignment\n end if ! time to write\n end if ! dustem_diag\n#endif\n\n2009 Format( '*** Erodible landuse incorrect ', 1pe13.5, 1x, 'at: ', 3i4 )\n2015 format( /5x, 'Total grid time-avg sum of dust emis variables at:',\n & 1x, i8, \":\", I6.6 )\n2019 format( i10, 1x, a, f20.5 )\n2023 format( i10, 1x, a, e20.3 )\n\n end subroutine get_dust_emis\n\nC=======================================================================\n function dust_hflux( ndp, dp, soiltxt, fmoit, fruf, ustr, sd_ep, dens )\n & result( hflux )\n\nC usage: hflux = dust_flux( ndp, dp,\nC soiltxt2( : ),\nC fmoit( c,r ),\nC fruf( c,r,m ),\nC ustr( c,r,m ),\nC sd_ep( c,r ),\nC dens( c,r ) )\n\n implicit none\n\n include SUBST_CONST ! for grav\n\n integer, intent( in ) :: ndp\n real, intent( in ) :: dp( ndp )\n real, intent( in ) :: soiltxt( ndp )\n real, intent( in ) :: fmoit, fruf, ustr, sd_ep, dens\n real hflux\n\n real, parameter :: amen = 1.0 ! Marticorena and Bergametti [JGR,1997]\n real, parameter :: cfac = 1000.0 * amen / grav\n real, parameter :: A = 260.60061 ! 0.0123 * 2650.0 * 9.81 / 1.227\n real, parameter :: B = 1.6540342e-06 ! 0.0123 * 0.000165 / 1.227\n real utstar ! threshold U* [m/s]\n real utem ! U term [(m/s)**3]\n real fac\n integer n\n\n! I can't initialize dp this way - it has to be passed in since ndp is variable\n\nC---Mean mass median diameter (m) for each soil texture\nC [Chatenet et al., Sedimentology 1996 and Menut et al., JGR 2013]\n! real :: dp( ndp ) =\n! & (/ 690.0E-6, ! Coarse sand\n! & 210.0E-6, ! Fine-medium sand\n! & 125.0E-6, ! Silt\n! & 2.0E-6 /) ! Clay\n\n fac = cfac * dens * sd_ep\n utem = 0.0\n utstar = 0.0\n hflux = 0.0\n do n = 1, ndp ! loop over dust particle size\n! utstar = sqrt( 0.0123 * ( 2650.0 * 9.81 * dp( n ) / 1.227 + 0.000165\n! / 1.227 / dp( n ) ) ) ! X roughness & moisture effects\n utstar = sqrt( A * dp( n ) + B / dp( n ) ) * fmoit * fruf !Shao and Lu [JGR,2000]\n if ( ustr .gt. utstar ) then ! wind erosion occurs only if U* > U*t\nC---Horiz. Flux from White (1979)\n utem = ( ustr + utstar ) * ( ustr * ustr - utstar * utstar )\nC---Horiz. Flux from Owen (1964)\n! utem = ustr * ( ustr * ustr - utstar * utstar )\n hflux = hflux\n & + fac * utem * soiltxt( n ) ! [g/m/s]\n end if\n end do ! dust particle size\n\n end function dust_hflux\n\n end module dust_emis\n\n" }, { "path": "CCTM/src/emis/emis/LTNG_DEFN.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n!C::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n MODULE LTNG_DEFN\n\n!C----------------------------------------------------------------------\n!C Function: production of NO from lightning\n\n!C Revision History:\n!C 1 Jul 2010 Jeff Young\n!C 1 Jan 2011 Rob Pinder: added support for online calculation of \n!C lightning NO from convective precip and NLDN data\n!C 10 Mar 2011 Jeff Young: code revisions\n!C 11 Apr 2011 S.Roselle: replaced I/O API include files with UTILIO_DEFN\n!C 11 May 2011 D.Wong: incorporated twoway model implementation\n!C 6 May 2013 D.Wong: replaced species name RC with RCA in the twoway model\n!C 10 Jun 2013 D.Wong: modified the code to work in the twoway model mode\n!C 24 Sep 2013 D.Wong: modified the code to allow finer met data time step\n!C rather than fixed with one hour data\n!C 15 Aug 2016 D.Wong: Replaced MYPE with IO_PE_INCLUSIVE for parallel I/O\n!C implementation\n!C 16 Aug 2016 D.Kang: Updated the lightning NO calculation with NLDN hourly\n!C data directly and using NLDN-RC log linear relationship,\n!C completely changing the data input process \n!C 1 Feb 2017 D.Kang: Modify the parameter (linear-log linear regression) scheme \n!C to set log-linear when RC is greater than \n!C exp(log-intercept), and move the LTNOx\n!C production rate to environment variable to be set in run script\n!C 18 Apr 2017 D. Kang: Make routine compatible with the two-way coupled model\n!C 17 Jul 2017 D. Wong: In subroutine GET_LTNG: \n!C * implemented a bug fix for determining LASTTIC base on \n!C accumulation of time step, TSTEP(2)\n!C * called SUBHFILE only once to improve code efficiency\n!C 13 Jun 2018 D. Kang: Changes to accommodate the twoway WRF-CMAQ coupled model \n!C with/without data passing (lightning assimilation and NO emissions)\n!C 5 Feb 2019 D. Kang: Changed the Lightning flash variable name (NLDNstrk) and make it \n!C consistent with the name (LNT) used in lightning assimilation;\n!C In the meantime, it still can read the files with old name by \n!C defining a LT_NAME variable. A bug fix related to read RC variable\n!C from met input file is also implemented.\n!C 01 Feb 2019 D. Wong: Implemented centralized I/O approach, removed all MY_N clauses\n!C 12 Mar 2019 D. Wong: Implemented centralized I/O approach to the twoway portion of the code\n!C and fixed a bug to handle the output time step is less than 1 hour\n!C scenario properly\n!C 3 Sep 2019 D. Kang: Added to scale factors for the vertical distribution and to make sure \n!C the profile is similar to those reported in literature and fixed a bug \n!C that was introduced two years ago for generating diagnotic 3D lightning emissions.\n!C 4 Feb 2020 D. Kang: Remove the SATLAM function call that is redundant and clean up the code to comply with \n!C the implementation of CIO.Though there is no effect when run the model over the continental\n!C US (Lambert projection), when run over the hemisphere and turning lightning NOx on,\n!C the run would crash due to uncompatible projection (polar)\n!C 6 Jan 2020 D. Kang: Correct the time steps in the lightning NOx !diagnostic files from 1:00 - 0:00 to 0:00 to 23:00\n!C----------------------------------------------------------------------\n USE RUNTIME_VARS\n USE DESID_VARS\n\n IMPLICIT NONE\n\n REAL, ALLOCATABLE, SAVE :: VDEMIS_LT( :,:,: ) ! lightning emis\n\n!C lightning emis species name\n CHARACTER( 16 ), PARAMETER :: LTSPC = 'NO'\n \n PUBLIC :: VDEMIS_LT, LTNG_INIT, GET_LTNG, LTSPC\n PRIVATE\n\n!C lightning log linear regression parameters with RC \n REAL, SAVE :: SQUAREKM\n REAL, SAVE :: SCL_FACTOR\n\n INTEGER, SAVE :: LTLYRS ! no. of emissions layers\n REAL, ALLOCATABLE, SAVE :: VDEMIS_LTDIAG( :,:,: ) ! lightning NO diagnostic\n REAL, ALLOCATABLE, SAVE :: COLUMN_DIAG( :,: ) ! column total NO\n\n CHARACTER( 16 ), SAVE :: RC_NAME ! RC name: old is RC and CCnew is RCA\n\n!C allocate these if LTNG_FNAME = 'INLINE'\n REAL, ALLOCATABLE, SAVE :: LTNG_PRSFC ( :,: ) ! surface pressure\n REAL, ALLOCATABLE, SAVE :: LTNG_RC ( :,: ) ! convective rainfall\n!C allocate these if LPARAM\n REAL, ALLOCATABLE, SAVE :: NLDN_STRIKE ( :,: ) ! Hourly NLDN strike data\n REAL, ALLOCATABLE, SAVE :: ICCG ( :,: ) ! intercloud strikes per cloud to ground strike\n!C Vertical coord values\n REAL, ALLOCATABLE, SAVE :: VGLVSLT ( : )\n\n!C scenario time/date needed for diagnostic output\n INTEGER, SAVE :: NTICS = 0 ! no. of substeps within an output tstep\n INTEGER, SAVE :: MTICS = 0 ! temporary sub for NTICS before it set to 0 \n INTEGER, SAVE :: LDATE ! test date to update emissions diag avg\n INTEGER, SAVE :: LTIME ! test time to update emissions diag avg\n INTEGER :: FDATE ! Start date to Write to Diagnostic files\n INTEGER :: FTIME ! Start time to Write to Diagnostic files\n\n INTEGER, SAVE :: LT_TSTEP\n INTEGER :: LT_TSTEP_F ! same time step info as LT_TSTEP but in HHMMSS format\n\n CONTAINS\n\n!C======================================================================\n!C Initialize lightning routines\n\n FUNCTION LTNG_INIT ( JDATE, JTIME, TSTEP ) RESULT ( SUCCESS )\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE CGRID_SPCS ! CGRID mechanism species\n USE UTILIO_DEFN\n USE CENTRALIZED_IO_MODULE, only : RCA_AVAIL, ICCG_SUM, ICCG_WIN,\n & FILE_TSTEP, F_MET, F_LTNG,\n & LT_NAME, FILE_XCELL, FILE_YCELL\n\n#ifdef twoway\n USE twoway_data_module\n#endif\n\n IMPLICIT NONE\n\n!C Includes:\n INCLUDE SUBST_CONST ! constants\n INCLUDE SUBST_FILES_ID ! file name parameters\n\n!C Arguments:\n INTEGER :: JDATE, JTIME, TSTEP\n\n LOGICAL SUCCESS\n\n!C External Functions:\n LOGICAL, EXTERNAL :: CHKGRID\n\n!C value to start log linear regression \n CHARACTER( 16 ) :: PNAME = 'LTNG_INIT'\n CHARACTER( 80 ) :: VARDESC ! env variable description\n CHARACTER( 120 ) :: XMSG = ' '\n REAL :: X, Y, VAL\n INTEGER :: C, R\n\n LOGICAL LTNGPARAM ! env var to use lightning NO parameters file\n INTEGER LSPCS ! no. of lightning species\n INTEGER :: I, J, K, L, V, STATUS\n INTEGER :: CJDATE\n CHARACTER( 7 ) :: SJDATE\n\n LOGICAL OK\n INTEGER :: SPC\n\n!-----------------------------------------------------------------------\n\n SUCCESS = .TRUE.\n\n!C Lightning NO production\n IF ( .NOT. LTNG_NO ) RETURN\n\n!C Populate Emissions Species Record\n DESID_EMVAR( ILTSRM )%LEN = 1\n ALLOCATE( DESID_EMVAR( ILTSRM )%ARRY ( 1 ) )\n ALLOCATE( DESID_EMVAR( ILTSRM )%UNITS( 1 ) )\n ALLOCATE( DESID_EMVAR( ILTSRM )%MW ( 1 ) )\n ALLOCATE( DESID_EMVAR( ILTSRM )%USED ( 1 ) )\n ALLOCATE( DESID_EMVAR( ILTSRM )%CONV ( 1 ) )\n ALLOCATE( DESID_EMVAR( ILTSRM )%BASIS( 1 ) )\n ALLOCATE( DESID_EMVAR( ILTSRM )%LAREA( 1 ) )\n ALLOCATE( DESID_EMVAR( ILTSRM )%LAREAADJ( 1 ) )\n \n DESID_EMVAR( ILTSRM )%ARRY = \"NO\"\n DESID_EMVAR( ILTSRM )%UNITS = 'MOLES/S'\n DESID_EMVAR( ILTSRM )%MW = 30.0\n DESID_EMVAR( ILTSRM )%USED = .FALSE.\n DESID_EMVAR( ILTSRM )%CONV = 1.0\n DESID_EMVAR( ILTSRM )%BASIS = 'MOLE'\n DESID_EMVAR( ILTSRM )%LAREA = .FALSE.\n DESID_EMVAR( ILTSRM )%LAREAADJ = .FALSE.\n \n!C Read in scenario time/date\n\n WRITE( SJDATE, '(I7)' ) JDATE\n READ( SJDATE, '(4X, I3)' ) CJDATE\n\n#ifndef mpas\n!C Is lightning NO production inline, or from a file?\n CALL UPCASE(LTNG_FNAME)\n IF ( LTNG_FNAME .EQ. \"INLINE\" ) THEN ! inline lightning NO production\n XMSG = 'Using in-line lightning NO production'\n CALL M3MSG2( XMSG )\n\n#ifdef twoway\n IF (wrf_lightning_assim) THEN\n NLDNSTRIKE = .FALSE.\n END IF\n#endif\n IF ( RCA_AVAIL ) THEN\n RC_NAME = 'RCA'\n ELSE\n RC_NAME = 'RC'\n END IF\n IF ( NLDNSTRIKE ) THEN\n XMSG = 'Using hourly NLDN Strike data'\n CALL M3MSG2( XMSG )\n\n LT_TSTEP = TIME2SEC ( FILE_TSTEP(F_LTNG) )\n LT_TSTEP_F = FILE_TSTEP(F_LTNG) \n\n ELSE\n LT_TSTEP = TIME2SEC ( TSTEP )\n LT_TSTEP_F = TSTEP \n XMSG = 'Using derived parameters for KF scheme '\n CALL M3MSG2( XMSG )\n END IF !END if NLDNSTRIKE\n\n! LT_TSTEP_F = SEC2TIME (LT_TSTEP)\n\n SQUAREKM = REAL( ( XCELL_GD * YCELL_GD * 1.0D-6 ), 4 )\n!C Set up vertical layers\n ALLOCATE( VGLVSLT( 0:DESID_LAYS ), STAT = STATUS )\n CALL CHECKMEM( STATUS, 'VGLVSLT', PNAME )\n\n ALLOCATE( ICCG ( NCOLS,NROWS ),\n & LTNG_PRSFC ( NCOLS,NROWS ),\n & NLDN_STRIKE ( NCOLS,NROWS ),\n & LTNG_RC ( NCOLS,NROWS ),STAT = STATUS )\n IF ( STATUS .NE. 0 ) THEN\n XMSG = 'ICCG, OCEAN_MASK, LTNG_Parameters'\n & // ' memory allocation failed'\n CALL M3WARN ( PNAME, JDATE, JTIME, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n IF ( CJDATE .GT. 90 .AND. CJDATE .LT. 274 ) THEN\n ICCG = ICCG_SUM\n ELSE\n ICCG = ICCG_WIN\n END IF\n! END IF !LPARAM\n!C Store local layer information\n DO L = DESID_LAYS, 0, -1\n VGLVSLT( L ) = VGLVS_GD( L+1 )\n! WRITE( LOGDEV,'(5X, A, I3, A, F11.7)' ) 'VGLVSLT(', L, ' ):', VGLVSLT( L )\n END DO\n\n\n LDATE = STDATE; LTIME = STTIME\n IF ( LTNGDIAG ) THEN\n!C Build description for, and open lightning diagnostic file\n!C (all but variables-table and horizontal domain in description is borrowed from MNAME)\n FDATE = STDATE\n FTIME = STTIME\n CALL NEXTIME( FDATE, FTIME, TSTEP )\n SDATE3D = FDATE\n STIME3D = FTIME\n TSTEP3D = TSTEP\n\n FTYPE3D = GRDDED3\n NCOLS3D = GL_NCOLS\n NROWS3D = GL_NROWS\n NTHIK3D = 1\n GDTYP3D = GDTYP_GD\n P_ALP3D = P_ALP_GD\n P_BET3D = P_BET_GD\n P_GAM3D = P_GAM_GD\n XORIG3D = XORIG_GD\n YORIG3D = YORIG_GD\n XCENT3D = XCENT_GD\n YCENT3D = YCENT_GD\n XCELL3D = XCELL_GD\n YCELL3D = YCELL_GD\n VGTYP3D = VGTYP_GD\n VGTOP3D = VGTOP_GD\n GDNAM3D = GRID_NAME ! from HGRD_DEFN\n\n NLAYS3D = DESID_LAYS\n DO L = 1, NLAYS3D + 1\n VGLVS3D( L ) = VGLVS_GD( L )\n END DO\n\n NVARS3D = 1\n VNAME3D( 1 ) = LTSPC\n VDESC3D( 1 ) = 'hourly average NO produced from lightning'\n VTYPE3D( 1 ) = M3REAL\n UNITS3D( 1 ) = 'mol s-1'\n\n FDESC3D = ' ' ! array assignment\n FDESC3D( 1 ) = 'Gridded lightning NO production from CMAQ'\n FDESC3D( 2 ) = '/from/ ' // PNAME\n FDESC3D( 3 ) = '/Version/ CMAQ'\n\n!C Open output file (mol s-1)\n IF ( IO_PE_INCLUSIVE ) THEN\n IF ( .NOT. OPEN3( CTM_LTNGDIAG_1, FSUNKN3, PNAME ) ) THEN\n XMSG = 'Could not open ' // TRIM( CTM_LTNGDIAG_1 )\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n NLAYS3D = 1\n VDESC3D( 1 ) = 'Column NO produced from lightning'\n IF ( .NOT. OPEN3( CTM_LTNGDIAG_2, FSUNKN3, PNAME ) ) THEN\n XMSG = 'Could not open ' // TRIM( CTM_LTNGDIAG_2 )\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n END IF\n\n ALLOCATE( VDEMIS_LTDIAG( NCOLS,NROWS,DESID_LAYS ), STAT = STATUS )\n IF ( STATUS .NE. 0 ) THEN\n XMSG = 'VDEMIS_LTDIAG memory allocation failed'\n CALL M3WARN ( PNAME, JDATE, JTIME, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n VDEMIS_LTDIAG = 0.0 ! array assignment\n ALLOCATE( COLUMN_DIAG( NCOLS,NROWS), STAT = STATUS )\n IF ( STATUS .NE. 0 ) THEN\n XMSG = 'COLUMN_DIAG memory allocation failed'\n CALL M3WARN ( PNAME, JDATE, JTIME, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n COLUMN_DIAG = 0.0 ! array assignment\n END IF ! LTNGDIAG\n ELSE ! lightning emissions off line\n\n!C Lightning NO production from an input file\n CALL M3MSG2( 'Using lightning NO production from a file' )\n\n!C Check grid definition (intialize, if first call)\n OK = CHKGRID( LTNG_FNAME )\n\n\n END IF ! IF ( LTNG_FNAME .EQ. \"INLINE\" ) inline or offline lightning NO production\n#endif\n\n LTLYRS = DESID_LAYS\n\n!C Build Emissions Buffer\n ALLOCATE( VDEMIS_LT( NCOLS,NROWS,LTLYRS ), STAT = STATUS )\n IF ( STATUS .NE. 0 ) THEN\n XMSG = 'VDEMIS_LT memory allocation failed'\n CALL M3WARN ( PNAME, JDATE, JTIME, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n \n! RETURN\n\n END FUNCTION LTNG_INIT\n\n!C======================================================================\n!C Get NO produced from lightning in VDEMIS_LT\n\n SUBROUTINE GET_LTNG ( JDATE, JTIME, TSTEP, L_DESID_DIAG )\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE UTILIO_DEFN\n USE CENTRALIZED_IO_MODULE, only : interpolate_var,\n & OCEAN_MASK,\n & SLOPE,\n & INTERCEPT,\n & SLOPE_lg,\n & INTERCEPT_lg,\n & ICCG_SUM,\n & ICCG_WIN,\n & LT_NAME\n#ifdef mpas\n use util_module, only : time2sec, nextime, upcase\n#else\n#ifdef twoway\n USE twoway_data_module\n#endif\n#endif\n IMPLICIT NONE\n\n INCLUDE SUBST_CONST ! constants\n INCLUDE SUBST_FILES_ID ! file name parameters\n\n INTEGER JDATE, JTIME, TSTEP( 3 )\n INTEGER STATUS\n LOGICAL, INTENT( IN ) :: L_DESID_DIAG ! flag determining whether or not DESID\n ! is in diagnostic mode \n REAL, PARAMETER :: CONVPA = 1.0E-2 ! convert Pa to hPa\n! REAL, PARAMETER :: WK = 8.0 ! shape parameter for weibull distribution\n! REAL, PARAMETER :: WLAMBDA = 700.0 ! scale parameter for weibull distribution\n REAL, PARAMETER :: WMU = 350.0 ! mean\n REAL, PARAMETER :: WSIGMA = 200.0 ! standard deviation\n REAL, PARAMETER :: W2MU = 600.0 ! mean\n REAL, PARAMETER :: W2SIGMA = 50.0 ! standard deviation\n REAL, PARAMETER :: SQRT2 = 1.414213562731\n REAL, PARAMETER :: SFACTOR1 = 0.95 ! the scaling factor for the wider distribution (WMU350)\n REAL, PARAMETER :: SFACTOR2 = 0.12 ! the scaling factor for the wider distribution (WMU350\n\n INTEGER COL, ROW, LAY ! iterator variables\n\n REAL PCALC ! pressure level for NO vertical distribution (hPa)\n REAL BOTTOM ! pressure at bottom of grid cell (hPa)\n REAL TOP ! pressure at top of grid cell (hPa) \n REAL BOTTOM_FRAC, TOP_FRAC ! their difference is the fraction of lightning NO in this grid cell\n REAL BOTTOM_FRAC2, TOP_FRAC2\n REAL SUM_FRAC ! stores the sum of vertical fractions to re-normalize the column\n REAL WEIGHT ! used to normalize emissions to total amount\n REAL inErfB, inErfT ! nputs to error funciton calculation\n REAL outErfB, outErfT ! outputs from error funciton calculation\n REAL :: LTEMIS( LTLYRS )\n REAL XCELLR, YCELLR ! cell spacing ratio to 36Km\n REAL FLASH_FAC ! lightning flashes factor\n\n LOGICAL, SAVE :: LASTTIC ! true: last sync step this output tstep\n REAL :: DIVFAC ! averaging factor for diagnostic file\n\n CHARACTER( 16 ) :: MNAME\n CHARACTER( 16 ) :: PNAME = 'GET_LTNG'\n CHARACTER( 120 ) :: XMSG = ' '\n REAL, ALLOCATABLE :: COLUMN_LTNG_NO ( :,: ) ! column total NO\n \n INTEGER :: cjdate\n INTEGER :: DTSTEP\n CHARACTER( 7 ) :: SJDATE\n\n LOGICAL, SAVE :: R_READY = .TRUE.\n LOGICAL, SAVE :: wrf_assim = .FALSE.\n INTEGER, SAVE :: TOT_TSTEP\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n\n REAL :: LOC_VGTOP_GD\n\nC statement function for ERF approximation\n REAL :: ERF ! ERF approx. statement function\n REAL :: X ! dummy argument for ERF\n ERF( X ) = SIGN( 1.0, X ) * SQRT( 1.0 - EXP( -4.0 * X * X / PI ) )\n!-----------------------------------------------------------------------\n \n CALL UPCASE(LTNG_FNAME)\n IF ( LTNG_FNAME .EQ. \"INLINE\" ) THEN\n!C case of inline lightning NO production\n!C initialize output array\n VDEMIS_LT = 0.0\n\n DTSTEP = TIME2SEC( TSTEP( 1 ) ) / TIME2SEC( TSTEP( 2 ) ) \n !C Open me filet\n!C Get domain window info for met_cro_2d file\n IF (FIRSTIME) THEN\n TOT_TSTEP = 0\n FIRSTIME = .FALSE.\n END IF\n WRITE( SJDATE, '(I7)') JDATE\n READ( SJDATE, '(4X, I3)') CJDATE\n\n!C read in the hourly lightning strike file\n#ifdef twoway\n IF(wrf_lightning_assim) THEN\n call interpolate_var ('LNT', jdate, jtime, NLDN_STRIKE)\n!C Interpret the timestep NLDN_STRIKE value into hourly value\n NLDN_STRIKE = NLDN_STRIKE*60/LT_ASM_DT\n wrf_assim = .TRUE.\n! WRITE(*,*) \"Max NLDN_STRIKE = \", MAXVAL(NLDN_STRIKE)\n ELSE\n IF ( .NOT. NLDNSTRIKE ) THEN\n call interpolate_var (RC_NAME, jdate, jtime, LTNG_RC)\n!C Interpret the timestep RC value into hourly value\n LTNG_RC = LTNG_RC*DTSTEP\n END IF\n END IF\n call interpolate_var ('PRSFC', jdate, jtime, LTNG_PRSFC)\n#else\n IF ( R_READY ) THEN\n IF ( .NOT. NLDNSTRIKE ) THEN\n call interpolate_var (RC_NAME, ldate, ltime, LTNG_RC)\n END IF\n call interpolate_var ('PRSFC', ldate, ltime, LTNG_PRSFC)\n\n IF ( .NOT. NLDNSTRIKE ) THEN\n R_READY = .FALSE.\n END IF\n END IF\n#endif\n\n IF( R_READY ) THEN\n IF ( NLDNSTRIKE ) THEN\n call interpolate_var (LT_NAME, ldate, ltime, NLDN_STRIKE)\n R_READY = .FALSE.\n END IF ! NLDNSTRIKE\n END IF !R_READY\n ALLOCATE( COLUMN_LTNG_NO( NCOLS,NROWS ), STAT = STATUS )\n IF ( STATUS .NE. 0 ) THEN\n XMSG = 'COLUMN_LTNG_NO memory allocation failed'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n COLUMN_LTNG_NO( :,: ) = 0.0\n!C Iterate over each grid cell and distribute lightning NO vertically\n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n IF ( NLDNSTRIKE .or. wrf_assim ) THEN\n COLUMN_LTNG_NO( COL,ROW ) =\n & ( NLDN_STRIKE( COL,ROW )\n & * SQUAREKM ! NLDN_STRIKE in km-2\n & * OCEAN_MASK( COL,ROW ) ! reduce offshore strikes\n & * ( MOLSNCG + MOLSNIC * ICCG( COL,ROW ) ) )\n & / ( 60.0 * 60.0 ) ! get time units right: emissions are in the unit of moles/s\n ELSE\n IF ( LTNG_RC( COL,ROW ) .GT. 0 ) THEN\n SCL_FACTOR = EXP(INTERCEPT_lg(COL, ROW))\n IF ( LTNG_RC( COL,ROW ) .GT. SCL_FACTOR .AND. OCEAN_MASK( COL,ROW ) .GT. 0.2 )THEN\n COLUMN_LTNG_NO( COL,ROW ) =\n & ( EXP( SLOPE_LG( COL,ROW ) * LOG( LTNG_RC( COL,ROW ) )\n & + INTERCEPT_LG( COL,ROW) )\n & * SQUAREKM ! the relation is built on the unit of flash/km2*hr\n & * OCEAN_MASK( COL,ROW ) ! reduce offshore strikes\n & * ( MOLSNCG ! moles N per flash intercloud strikes per cloud-to-ground strike\n & + ( MOLSNIC * ICCG( COL,ROW ) ) ) )\n & / ( 60.0 * 60.0 ) ! get time units right\n IF ( COLUMN_LTNG_NO( COL,ROW ) .LT. 0 ) COLUMN_LTNG_NO( COL,ROW ) = 0.0\n ELSE\n COLUMN_LTNG_NO( COL,ROW ) =\n & ( ( SLOPE( COL,ROW ) * LTNG_RC( COL,ROW ) + INTERCEPT( COL,ROW ) )\n & * SQUAREKM ! the relation is built on flash/km2*hr\n & * OCEAN_MASK( COL,ROW ) ! reduce offshore strikes\n & * ( MOLSNCG ! moles N per flash intercloud strikes per cloud-to-ground strike\n & + ( MOLSNIC * ICCG( COL,ROW ) ) ) )\n & / ( 60.0 * 60.0 ) ! get time units right \n IF ( COLUMN_LTNG_NO( COL,ROW ) .LT. 0 ) COLUMN_LTNG_NO( COL,ROW ) = 0.0\n END IF\n ELSE\n COLUMN_LTNG_NO( COL,ROW ) = 0.0\n END IF\n END IF ! NLDNSTRIKE\n END DO ! COL\n END DO ! ROW\n\n VDEMIS_LT = 0.0 ! array assignment\n\n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n\n!C check to see if there are lightning strikes for this grid cell\n!C only calculate lightning for cloud top greater than 6500 meters\n\n IF ( COLUMN_LTNG_NO( COL,ROW ) .LE. 0.0 ) CYCLE\n SUM_FRAC = 0.0\n LTEMIS = 0.0 ! array assignment\n\n#ifdef mpas\n LOC_VGTOP_GD = 1000.0 ! for simplicity, we have decided to set VGTOP_GD to 1000.0\n#else\n LOC_VGTOP_GD = VGTOP_GD\n#endif\n\n DO LAY = 1, LTLYRS\n\n!C Get pressures: Use SIGMA values and surface pres.\n!p=sigma*(psfc-ptop)+ptop\n BOTTOM = ( VGLVSLT( LAY-1 )\n & * ( LTNG_PRSFC( COL,ROW ) - LOC_VGTOP_GD )\n & + LOC_VGTOP_GD ) * CONVPA\n! write( logdev,* ) \"bottom: \", bottom\n TOP = ( VGLVSLT( LAY )\n & * ( LTNG_PRSFC( COL,ROW ) - LOC_VGTOP_GD )\n & + LOC_VGTOP_GD ) * CONVPA\n\n!C Find the bottom and top of each layer, and calculate the fraction \n!C of the column emissions for that layer\n!C Use normal distribution, mean = wmu, standard deviation = wsigma\n inErfB = ( BOTTOM - WMU ) / ( WSIGMA * SQRT2 )\n inErfT = ( TOP - WMU ) / ( WSIGMA * SQRT2 )\n outErfB = ERF( inErfB )\n outErfT = ERF( inErfT )\n BOTTOM_FRAC = 0.5 * ( 1.0 + outErfB )\n TOP_FRAC = 0.5 * ( 1.0 + outErfT )\n\n!C Find the bottom and top of each layer, and calculate the fraction\n!C of the column emissions for that layer\n!C use normal distribution, mean = wmu, standard deviation = wsigma\n inErfB = ( BOTTOM - W2MU ) / ( W2SIGMA * SQRT2 )\n inErfT = ( TOP - W2MU ) / ( W2SIGMA * SQRT2 )\n outErfB = ERF( inErfB )\n outErfT = ERF( inErfT )\n BOTTOM_FRAC2 = 0.5 * ( 1.0 + outErfB )\n TOP_FRAC2 = 0.5 * ( 1.0 + outErfT )\n\n!C Add weighted contribution to this level\n WEIGHT = ( BOTTOM_FRAC - TOP_FRAC ) * SFACTOR1\n & + ( BOTTOM_FRAC2 - TOP_FRAC2 ) * SFACTOR2 \n\n LTEMIS( LAY ) = WEIGHT * COLUMN_LTNG_NO( COL,ROW )\n\n!C Sum weights in order to normalize to 1\n SUM_FRAC = SUM_FRAC + WEIGHT\n\n!C If emissions are less than 0, generate an error message in the log\n IF ( LTEMIS( LAY ) .LT. 0.0 ) THEN\n WRITE( LOGDEV,* ) LTEMIS( LAY ),\n & COLUMN_LTNG_NO( COL,ROW ),\n & BOTTOM_FRAC, TOP_FRAC\n XMSG = '*** Ltng NO emis is less than zero'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n\n END DO ! end layers loop \n\n DO LAY = 1, LTLYRS\n!C Re-normalize, in some cases area under the error function is not 1\n VDEMIS_LT( COL,ROW,LAY ) = LTEMIS( LAY ) / SUM_FRAC\n END DO ! layers renormalized\n\n END DO ! columns\n END DO ! rows\n\n!C Determine the time to read and/or write the hourly files\n IF ( .NOT. L_DESID_DIAG ) THEN\n NTICS = NTICS + 1\n TOT_TSTEP = TOT_TSTEP + TIME2SEC( TSTEP( 2 ) )\n LASTTIC = TOT_TSTEP .GE. LT_TSTEP\n IF ( LASTTIC ) THEN\n MTICS = NTICS\n NTICS = 0\n TOT_TSTEP = 0\n CALL NEXTIME( LDATE, LTIME, LT_TSTEP_F)\n R_READY = .TRUE.\n END IF\n END IF\n\n#ifdef mpas\n#else\n!C Write lightning NO to the diagnostic file\n IF ( LTNGDIAG .AND. .NOT. L_DESID_DIAG ) THEN \n VDEMIS_LTDIAG = VDEMIS_LTDIAG + VDEMIS_LT ! array assignment\n COLUMN_DIAG = COLUMN_DIAG + COLUMN_LTNG_NO\n IF ( LASTTIC ) THEN ! time to write out\n DIVFAC = 1.0 / REAL( MTICS, 4 )\n VDEMIS_LTDIAG = VDEMIS_LTDIAG * DIVFAC ! array assignment\n COLUMN_DIAG = COLUMN_DIAG*DIVFAC\n IF ( .NOT. WRITE3( CTM_LTNGDIAG_1, LTSPC, LDATE, LTIME, VDEMIS_LTDIAG ) ) THEN\n XMSG = 'Could not write to ' // TRIM( CTM_LTNGDIAG_1 )\n CALL M3EXIT( PNAME, LDATE, LTIME, XMSG, XSTAT2 )\n ELSE\n WRITE( LOGDEV,94040 )\n & 'Timestep written to', TRIM( CTM_LTNGDIAG_1 ),\n & 'for date and time', LDATE, LTIME\n END IF\n IF ( .NOT. WRITE3( CTM_LTNGDIAG_2, LTSPC, LDATE, LTIME, COLUMN_DIAG ) ) THEN\n XMSG = 'Could not write to ' // TRIM( CTM_LTNGDIAG_2 )\n CALL M3EXIT( PNAME, LDATE, LTIME, XMSG, XSTAT2 )\n ELSE\n WRITE( LOGDEV,94040 )\n & 'Timestep written to', TRIM( CTM_LTNGDIAG_2 ),\n & 'for date and time', LDATE, LTIME\n END IF\n\n VDEMIS_LTDIAG = 0.0 ! array assignment\n COLUMN_DIAG = 0.0\n END IF ! LASTTIC\n\n END IF ! diagnostics turned on\n#endif\n\n ELSE ! LTNGO is not \"InLine\", but instead specifies a file\n\n!C Read in lightning NO production from an input file\n VDEMIS_LT = 0.0 ! array assignment\n\n call interpolate_var (LTSPC, jdate, jtime, VDEMIS_LT)\n\n END IF ! end lightning NO production inline or from a file\n\n\n DEALLOCATE( COLUMN_LTNG_NO )\n\n\n RETURN\n\nC------------------ Format Statements ------------------------------\n\n94040 FORMAT( /5X, 3( A, :, 1X ), I8, \":\", I6.6 )\n94042 FORMAT( /5X, A, 1X, I8, \":\", I6.6, 1X, 1PE13.5 )\n\n END SUBROUTINE GET_LTNG\n\n END MODULE LTNG_DEFN\n" }, { "path": "CCTM/src/emis/emis/LUS_DEFN.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n module lus_defn\nC Land Use/Cover Schema\n\nC Revision History:\nC 10 Nov 2011: J.Young - Created\nC 10 Dec 2011: J.Young - fix for two-way application (Tanya Spero`s help)\nC 2 Feb 2019: D. Wong - Implemented centralized I/O approach, removed all \nC MY_N clauses, with new re-structure of LUS_DEFN, \nC most of the data declaration has been moved to \nC lus_data_module (model_data_module.f)\nC 3 Mar 2022: J. Willison - Remove ctm_wbdust_beld option\n\n implicit none\n\n public lus_init\n private\n\n contains\n\n#ifdef mpas\n function lus_init( mminlu_in, landusef_in ) result ( success )\n#else\n function lus_init( jdate, jtime ) result ( success )\n#endif\n\n use hgrd_defn ! horizontal domain specifications\n#ifdef twoway\n use twoway_data_module, only : mminlu, num_land_cat\n#endif\n use utilio_defn\n use lus_data_module\n\n implicit none\n\n#ifdef mpas\n character (*), intent( in ) :: mminlu_in\n real, intent( in ) :: landusef_in(:,:)\n\n integer, allocatable :: lu_ind(:)\n integer :: j\n logical :: found\n\n character (16) :: mminlu\n integer :: num_land_cat\n#else\n integer, intent( in ) :: jdate ! current model date, coded YYYYDDD\n integer, intent( in ) :: jtime ! current model time, coded HHMMSS\n#endif\n\nC Includes:\n include SUBST_FILES_ID ! file name parameters\n\n logical :: success\n\n integer :: gxoff, gyoff ! global origin offset from file\n integer, save :: strtcol_01, endcol_01, strtrow_01, endrow_01\n integer, save :: strtcol_02, endcol_02, strtrow_02, endrow_02\n\n character( 16 ) :: pname = 'LUS_INIT'\n character( 128 ) :: vardesc = ' '\n character( 128 ) :: xmsg = ' '\n character( 24 ) :: strg = 'incorrect num_land_cat, '\n real( 8 ) :: tland\n integer i, c, r, err\n\n#ifdef mpas\n mminlu = mminlu_in\n if (mminlu .eq. 'USGS') then\n num_land_cat = 24\n else if (mminlu .eq. 'NLCD40') then\n num_land_cat = size(landusef_in,1)\n end if\n dust_land_scheme = mminlu_in\n#endif\n\n success = .true.\n\n ladut = 100.0 * ladut ! array assignment\n lut = 100.0 * lut ! array assignment\n\nC Merge fractional landuse categories into 4 groups for dust transport factors\n select case( dust_land_scheme )\n\n case( 'USGS24' )\n do r = 1, nrows\n do c = 1, ncols\nC water & barren surrounding\n uland( c,r,1 ) = lut( c,r,8 ) ! Shrubland\n & + lut( c,r,16 ) ! Water\n & + lut( c,r,19 ) ! Barren or Sparsely Vegetated\n & + lut( c,r,22 ) ! Mixed Tundra\n & + lut( c,r,23 ) ! Bare Ground Tundra\n & + lut( c,r,24 ) ! Snow and Ice\n\nC grass & crop surrounding\n uland( c,r,2 ) = lut( c,r,2 ) ! Dryland Cropland and Pasture\n & + lut( c,r,3 ) ! Irrigated Cropland and Pasture\n & + lut( c,r,4 ) ! Mixed Dryland and Irrigated Cropland and Pasture\n & + lut( c,r,5 ) ! Cropland-Grassland Mosaic\n & + lut( c,r,6 ) ! Cropland-Woodland Mosaic\n & + lut( c,r,7 ) ! Grassland\n & + lut( c,r,9 ) ! Mixed Shrubland-Grassland\n & + lut( c,r,10 ) ! Savannah\n & + lut( c,r,17 ) ! Herbaceous Wetland\n & + lut( c,r,20 ) ! Herbaceous Tundra\n\nC building surrounding\n uland( c,r,3 ) = lut( c,r,1 ) ! Urban Land\n\nC forest surrounding\n uland( c,r,4 ) = lut( c,r,11 ) ! Deciduous Broadleaf Forest\n & + lut( c,r,12 ) ! Deciduous Needleleaf Forest\n & + lut( c,r,13 ) ! Evergreen Broadleaf Forest\n & + lut( c,r,14 ) ! Evergreen Needleleaf Forest\n & + lut( c,r,15 ) ! Mixed Forest\n & + lut( c,r,18 ) ! Wooded Wetland\n & + lut( c,r,21 ) ! Wooded Tundra\n end do\n end do\n\n! case( 'MODIS' )\n! do r = 1, nrows\n! do c = 1, ncols\n! uland( c,r,1 ) = lut( c,r,> )\n! end do\n! end do\n\n case( 'NLCD40' )\n do r = 1, nrows\n do c = 1, ncols\nC water & barren surrounding\n uland( c,r,1 ) = lut( c,r,21 ) ! Open Water\n & + lut( c,r,22 ) ! Perennial Ice-Snow\n & + lut( c,r,27 ) ! Barren Land (Rock-Sand-Clay)\n & + lut( c,r,31 ) ! Dwarf Scrub\n & + lut( c,r,32 ) ! Shrub-Scrub\n & + lut( c,r,15 ) ! Permanent Snow and Ice\n & + lut( c,r,16 ) ! Barren or Sparsely Vegetated\n & + lut( c,r,17 ) ! IGBP Water\n\nC grass & crop surrounding\n uland( c,r,2 ) = lut( c,r,33 ) ! Grassland-Herbaceous\n & + lut( c,r,34 ) ! Sedge-Herbaceous\n & + lut( c,r,35 ) ! Lichens\n & + lut( c,r,36 ) ! Moss\n & + lut( c,r,37 ) ! Pasture-Hay\n & + lut( c,r,38 ) ! Cultivated Crops\n & + lut( c,r,6 ) ! Closed Shrublands\n & + lut( c,r,7 ) ! Open Shrublands\n & + lut( c,r,9 ) ! Savannas\n & + lut( c,r,10 ) ! Grasslands\n & + lut( c,r,12 ) ! Croplands\n & + lut( c,r,14 ) ! Cropland-Natural Vegetation Mosaic\n\nC building surrounding\n uland( c,r,3 ) = lut( c,r,24 ) ! Developed Low Intensity\n & + lut( c,r,25 ) ! Developed Medium Intensity\n & + lut( c,r,26 ) ! Developed High Intensity\n & + lut( c,r,13 ) ! Urban and Built Up\n\nC forest surrounding\n uland( c,r,4 ) = lut( c,r,28 ) ! Deciduous Forest\n & + lut( c,r,29 ) ! Evergreen Forest\n & + lut( c,r,30 ) ! Mixed Forest\n & + lut( c,r,39 ) ! Woody Wetlands\n & + lut( c,r,40 ) ! Emergent Herbaceous Wetlands\n & + lut( c,r,1 ) ! Evergreen Needleleaf Forest\n & + lut( c,r,2 ) ! Evergreen Broadleaf Forest\n & + lut( c,r,3 ) ! Deciduous Needleleaf Forest\n & + lut( c,r,4 ) ! Deciduous Broadleaf Forest\n & + lut( c,r,5 ) ! Mixed Forests\n & + lut( c,r,8 ) ! Woody Savannas\n & + lut( c,r,11 ) ! Permanent Wetlands\n end do\n end do\n\n case( 'NLCD-MODIS', 'NLCD50' )\n do r = 1, nrows\n do c = 1, ncols\nC water & barren surrounding\n uland( c,r,1 ) = lut( c,r,1 ) ! Open Water\n & + lut( c,r,2 ) ! Perennial Ice-Snow\n & + lut( c,r,7 ) ! Barren Land (Rock-Sand-Clay)\n & + lut( c,r,12 ) ! Dwarf Scrub\n & + lut( c,r,13 ) ! Shrub-Scrub\n & + lut( c,r,18 ) ! Tundra\n & + lut( c,r,31 ) ! Water\n & + lut( c,r,46 ) ! Permanent Snow and Ice\n & + lut( c,r,47 ) ! Barren or Sparsely Vegetated\n & + lut( c,r,48 ) ! IGBP Water\n\nC grass & crop surrounding\n uland( c,r,2 ) = lut( c,r,14 ) ! Grassland-Herbaceous\n & + lut( c,r,15 ) ! Sedge-Herbaceous\n & + lut( c,r,16 ) ! Lichens\n & + lut( c,r,17 ) ! Moss\n & + lut( c,r,19 ) ! Pasture-Hay\n & + lut( c,r,20 ) ! Cultivated Crops\n & + lut( c,r,37 ) ! Closed Shrublands\n & + lut( c,r,38 ) ! Open Shrublands\n & + lut( c,r,40 ) ! Savannas\n & + lut( c,r,41 ) ! Grasslands\n & + lut( c,r,43 ) ! Croplands\n & + lut( c,r,45 ) ! Cropland-Natural Vegetation Mosaic\n\nC building surrounding\n uland( c,r,3 ) = lut( c,r,4 ) ! Developed Low Intensity\n & + lut( c,r,5 ) ! Developed Medium Intensity\n & + lut( c,r,6 ) ! Developed High Intensity\n & + lut( c,r,44 ) ! Urban and Built Up\n\nC forest surrounding\n uland( c,r,4 ) = lut( c,r,9 ) ! Deciduous Forest\n & + lut( c,r,10 ) ! Evergreen Forest\n & + lut( c,r,11 ) ! Mixed Forest\n & + lut( c,r,21 ) ! Woody Wetlands\n & + lut( c,r,22 ) ! Palustrine Forested Wetland\n & + lut( c,r,24 ) ! Estuarine Forested Wetland\n & + lut( c,r,32 ) ! Evergreen Needleleaf Forest\n & + lut( c,r,33 ) ! Evergreen Broadleaf Forest\n & + lut( c,r,34 ) ! Deciduous Needleleaf Forest\n & + lut( c,r,35 ) ! Deciduous Broadleaf Forest\n & + lut( c,r,36 ) ! Mixed Forests\n & + lut( c,r,39 ) ! Woody Savannas\n & + lut( c,r,42 ) ! Permanent Wetlands\n end do\n end do\n\n case( 'MODIS_NOAH' )\n do r = 1, nrows\n do c = 1, ncols\nC water & barren surrounding\n uland( c,r,1 ) = lut( c,r,6 ) ! Closed Shrublands\n & + lut( c,r,7 ) ! Open Shrublands\n & + lut( c,r,15 ) ! Snow and Ice\n & + lut( c,r,16 ) ! Barren or Sparsely Vegetated\n & + lut( c,r,17 ) ! Water\n & + lut( c,r,19 ) ! Mixed Tundra\n & + lut( c,r,20 ) ! Barren Tundra\n\nC grass & crop surrounding\n uland( c,r,2 ) = lut( c,r,8 ) ! Woody Savannas\n & + lut( c,r,9 ) ! Savannas\n & + lut( c,r,10 ) ! Grasslands\n & + lut( c,r,12 ) ! Croplands\n & + lut( c,r,14 ) ! Cropland-Natural Vegetation Mosaic\n & + lut( c,r,18 ) ! Wooded Tundra\n\nC building surrounding\n uland( c,r,3 ) = lut( c,r,13 ) ! Urban and Built-Up\n\nC forest surrounding\n uland( c,r,4 ) = lut( c,r,1 ) ! Evergreen Needleleaf Forest\n & + lut( c,r,2 ) ! Evergreen Broadleaf Forest\n & + lut( c,r,3 ) ! Deciduous Needleleaf Forest\n & + lut( c,r,4 ) ! Deciduous Broadleaf Forest\n & + lut( c,r,5 ) ! Mixed Forests\n & + lut( c,r,11 ) ! Permanent Wetlands\n end do\n end do\n\n end select\n\n do r = 1, nrows\n do c = 1, ncols\n\n tland = 0.0d0\n do i = 1, 4\n uland( c,r,i ) = max( 0.0, min( 100.0, uland( c,r,i ) ) )\n tland = tland + real( uland( c,r,i ), 8 )\n end do\n\n if ( tland .gt. 100.0d0 ) then\n#ifdef dbg_wbdust\n write( logdev,* ) ' >>> tland:', c, r, tland\n#endif\n do i = 1, 4\n uland( c,r,i ) = uland( c,r,i ) * real( 100.0d0 / tland, 4 )\n end do\n end if\n\n end do\n end do\n\n deallocate( lut )\n\n return\n end function lus_init\n\n end module lus_defn\n" }, { "path": "CCTM/src/emis/emis/MGEMIS.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n MODULE MGEMIS\nC-----------------------------------------------------------------------\nC Description:\n\nC Revision History:\nC 03 Nov 15: B. Gantt and G. Sarwar: created the initial version for marine \nC gas emissions\nC 26 Sep 16: D. Wong: removed repeated SEAICE interpx statement\nC 20 Feb 18: G. Sarwar: removed Br2, added DMS, and revised estimates of \nC halocarbon and HOI/I2 emissions\nC 04 Dec 18: G. Srawar: updated local time calculation\nC 01 Feb 19: D. Wong: Implemented centralized I/O approach\nC 15 May 19: D. Wong: Replaced MGEM with USE_MARINE_GAS_EMISSION which is set in RUNTIME_VARS.F\nC 16 May 19: D. Wong: * Removed initialization of OCEAN, SZONE, CHLR, and DMSL. \nC * Used LON directly to save space.\nC 04 Sep 20: G. Sarwar* Fixed bug for Kw\nC 03 Mar 22: D. Wong and G. Sarwar* updated for DMS emissions with cb6r5\n\n USE RUNTIME_VARS\n USE HGRD_DEFN\n USE DESID_VARS\n#ifdef mpas\n use util_module\n#endif\n\n IMPLICIT NONE\n\n INTEGER, PARAMETER :: NMGSPC = 12\n\nC Marine gas Emissions Rates\n REAL, ALLOCATABLE, SAVE :: VDEMIS_MG( :,:,: ) ! marine gas emission rates [moles/s]\n\n PUBLIC NMGSPC, VDEMIS_MG, MGEMIS_INIT, GET_MGEMIS, MG_SPC, MGSPC_MAP\n PRIVATE\n\n INTEGER, SAVE :: LGC_O3 ! pointer to O3 in CGRID\n\nC Variables for the marine gas diagnostic file\n INTEGER :: NMGDIAG ! number of species in marine gas\n ! diagnostic emission file\n REAL, ALLOCATABLE :: MGOUTD( : ) ! emission rates\n REAL, ALLOCATABLE, SAVE :: MGBF( :,:,: ) ! marine gas emiss accumulator\n REAL, ALLOCATABLE, SAVE :: WRMG( :,: ) ! marine gas emiss write buffer\n INTEGER, SAVE :: MGSPC_MAP( NMGSPC )\n\n! Species names in the speciated marine gas-emissions\n CHARACTER( 16 ), ALLOCATABLE :: WRMG_SPC( : ) ! species names\n\n CHARACTER( 16 ) :: MG_SPC( NMGSPC) ! emitted species\n\n INTEGER :: MG_SPC_IND ( NMGSPC) ! emitted species index\n\n DATA MG_SPC / 'MB3 ',\n & 'MB2 ',\n & 'MBC ',\n & 'MB2C ',\n & 'MBC2 ',\n & 'CH3I ',\n & 'MIC ',\n & 'MIB ',\n & 'MI2 ',\n & 'I2 ',\n & 'HOI ',\n & 'DMS ' /\n\n REAL :: MG_MW( NMGSPC ) ! emitted species molecular weight (g/mol)\n\n DATA MG_MW / 252.7,\n & 173.8,\n & 129.4,\n & 208.3,\n & 243.8,\n & 141.9,\n & 176.4,\n & 219.9,\n & 267.8,\n & 253.8,\n & 143.9,\n & 62.0 /\n\nC Variables interpolated from the meteorological input files\n REAL, ALLOCATABLE, SAVE :: U10( :,: ) ! wind speed at 10m [m/s]\n REAL, ALLOCATABLE, SAVE :: TSEASFC( :,: ) ! sea surface temp K\n REAL, ALLOCATABLE, SAVE :: SEAICE( :,: ) ! seaice fraction\n\n INTEGER I\n\nC Domain decomposition info from emission and meteorology files\n INTEGER, SAVE :: GXOFF, GYOFF ! origin offset\n INTEGER, SAVE :: STRTCOL_O1, ENDCOL_O1, STRTROW_O1, ENDROW_O1\n INTEGER, SAVE :: STRTCOLMC3, ENDCOLMC3, STRTROWMC3, ENDROWMC3\n INTEGER, SAVE :: STRTCOLGC2, ENDCOLGC2, STRTROWGC2, ENDROWGC2\n\n CONTAINS\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n FUNCTION MGEMIS_INIT( JDATE, JTIME, TSTEP ) RESULT ( SUCCESS )\n\nC Revision History:\nC 03 Nov 15: B. Gantt and G. Sarwar: created the initial version for marine gas emissions\n\n USE UTILIO_DEFN\n USE HGRD_DEFN\n USE CGRID_SPCS\n USE RXNS_DATA\n USE RUNTIME_VARS, ONLY : USE_MARINE_GAS_EMISSION\n USE CENTRALIZED_IO_MODULE, only : chlr, dmsl\n\n IMPLICIT NONE\n INCLUDE SUBST_CONST ! constants\n INCLUDE SUBST_FILES_ID ! file name parameters\n\nC Arguments:\n INTEGER, INTENT( IN ) :: JDATE, JTIME, TSTEP\n LOGICAL :: SUCCESS\n\n\n CHARACTER( 80 ) :: VARDESC ! env variable description\n\nC Local Variables:\n\n CHARACTER( 16 ), SAVE :: PNAME = 'MGEMIS_INIT'\n CHARACTER( 96 ) :: XMSG = ' '\n CHARACTER( 16 ) :: VARNM\n INTEGER STATUS\n INTEGER S, N, L, K, V\n INTEGER :: START_INDEX, END_INDEX\n\nC-----------------------------------------------------------------------\n\n SUCCESS = .TRUE.\n\nC flag for marine gas emissions; this flag is set in the subroutine EM_FILE_INIT \n IF ( .NOT. USE_MARINE_GAS_EMISSION ) RETURN\n\nC Allocate MG arrays using NMGSPC value\n DESID_EMVAR( IMGSRM )%LEN = NMGSPC\n ALLOCATE( DESID_EMVAR( IMGSRM )%ARRY ( NMGSPC ) )\n ALLOCATE( DESID_EMVAR( IMGSRM )%UNITS( NMGSPC ) )\n ALLOCATE( DESID_EMVAR( IMGSRM )%MW ( NMGSPC ) )\n ALLOCATE( DESID_EMVAR( IMGSRM )%USED ( NMGSPC ) )\n ALLOCATE( DESID_EMVAR( IMGSRM )%CONV ( NMGSPC ) )\n ALLOCATE( DESID_EMVAR( IMGSRM )%BASIS( NMGSPC ) )\n ALLOCATE( DESID_EMVAR( IMGSRM )%LAREA( NMGSPC ) )\n ALLOCATE( DESID_EMVAR( IMGSRM )%LAREAADJ( NMGSPC ) )\n \n DESID_EMVAR( IMGSRM )%ARRY = MG_SPC\n DESID_EMVAR( IMGSRM )%UNITS = 'MOLES/S'\n DESID_EMVAR( IMGSRM )%MW = MG_MW\n DESID_EMVAR( IMGSRM )%USED = .FALSE.\n DESID_EMVAR( IMGSRM )%CONV = 1.0\n DESID_EMVAR( IMGSRM )%BASIS = 'MOLE'\n DESID_EMVAR( IMGSRM )%LAREA = .FALSE.\n DESID_EMVAR( IMGSRM )%LAREAADJ = .FALSE.\n\n ALLOCATE ( VDEMIS_MG( NMGSPC,NCOLS,NROWS), STAT = STATUS )\n IF ( STATUS .NE. 0 ) THEN\n XMSG = '*** VDEMIS_MG, memory allocation failed'\n CALL M3WARN ( PNAME, JDATE, JTIME, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\n ALLOCATE ( TSEASFC( NCOLS,NROWS ),\n & U10( NCOLS,NROWS ),\n & SEAICE( NCOLS,NROWS ), STAT = STATUS )\n IF ( STATUS .NE. 0 ) THEN\n XMSG = '*** DMSL, TSEASFC, U10, or SEAICE memory'\n CALL M3WARN ( PNAME, JDATE, JTIME, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF \n U10 = 0.0\n TSEASFC = 293.15\n SEAICE = 0.0\n\nC Get index for surface ozone concentration \n VARNM = 'O3'\n LGC_O3 = INDEX1( VARNM, N_GC_SPC, GC_SPC )\n IF ( LGC_O3 .LE. 0 ) THEN\n XMSG = 'Could not find ' // VARNM // 'in species table'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT3 )\n END IF\n\n IF (USE_MARINE_GAS_EMISSION .AND. MGEMDIAG ) THEN ! Open the marine gas emission diagnostic file\nC Determine number of marine gas species for diagnostic file\n NMGDIAG = NMGSPC\n\nC Allocate diagnostic arrays\n ALLOCATE ( MGOUTD( NMGDIAG ),\n & WRMG_SPC( NMGDIAG ), STAT = STATUS )\n IF ( STATUS .NE. 0 ) THEN\n XMSG = '*** MGOUTD or WRMG_SPC memory alloc failed'\n CALL M3WARN ( PNAME, JDATE, JTIME, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\nC Build diagnostic file write buffer (WRMG_SPC) array\n IF (INDEX( MECHNAME, 'CB6R5M_AE7_AQ' ) .GT. 0) THEN\n START_INDEX = 1\n END_INDEX = 12\n ELSE\n START_INDEX = 12\n END_INDEX = 12\n END IF\n\n NMGDIAG = 0\n DO S = START_INDEX, END_INDEX\n NMGDIAG = NMGDIAG + 1\n WRMG_SPC( NMGDIAG ) = MG_SPC( S )\n MG_SPC_IND( NMGDIAG ) = S\n END DO\n\nC Open the marine gas emission dignostic file\n IF ( IO_PE_INCLUSIVE ) CALL OPMGEMIS ( STDATE, STTIME, TSTEP, NMGDIAG, WRMG_SPC )\n\n ALLOCATE ( MGBF( NMGDIAG,NCOLS,NROWS ),\n & WRMG( NCOLS,NROWS ), STAT = STATUS )\n IF ( STATUS .NE. 0 ) THEN\n XMSG = '*** MGBF or WRMG memory allocation failed'\n CALL M3WARN ( PNAME, JDATE, JTIME, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n MGBF = 0.0\n\n END IF\n\n END FUNCTION MGEMIS_INIT\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE OPMGEMIS ( JDATE, JTIME, TSTEP, NMGDIAG, WRMG_SPC )\n\nC 8 Aug 14 B.Gantt adapted from sea salt diagnostic\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE UTILIO_DEFN\n\n IMPLICIT NONE\n\n INCLUDE SUBST_FILES_ID ! file name parameters\n\nC Arguments:\n INTEGER, INTENT( IN ) :: JDATE ! current model date, coded YYYYDDD\n INTEGER, INTENT( IN ) :: JTIME ! current model time, coded HHMMSS\n INTEGER, INTENT( IN ) :: TSTEP ! output time step\n INTEGER, INTENT( IN ) :: NMGDIAG\n CHARACTER( 16 ), INTENT( IN ) :: WRMG_SPC( NMGDIAG )\n\nC Local variables:\n CHARACTER( 16 ) :: PNAME = 'OPMGEMIS'\n CHARACTER( 96 ) :: XMSG = ' '\n\n INTEGER V, L ! loop induction variables\n \n#ifdef mpas\n integer :: io_mode\n#endif\n\nC-----------------------------------------------------------------------\n\n#ifdef mpas\n if (ncd_64bit_offset) then\n io_mode = ior (nf90_noclobber, nf90_64bit_offset)\n else\n io_mode = nf90_noclobber\n end if\n\n call mio_fcreate (CTM_MGEM_1, io_mode)\n\n#else\n\nC Try to open existing file for update\n IF ( .NOT. OPEN3( CTM_MGEM_1, FSRDWR3, PNAME ) ) THEN\n XMSG = 'Could not open CTM_MGEM_1 for update - '\n & // 'try to open new'\n CALL M3MESG( XMSG )\n\nC Set output file characteristics based on COORD.EXT and open diagnostic file\n FTYPE3D = GRDDED3\n SDATE3D = JDATE\n STIME3D = JTIME\n TSTEP3D = TSTEP\n CALL NEXTIME( SDATE3D, STIME3D, TSTEP3D ) ! start the next hour\n\n NVARS3D = NMGDIAG\n NCOLS3D = GL_NCOLS\n NROWS3D = GL_NROWS\n NLAYS3D = 1\n NTHIK3D = 1\n GDTYP3D = GDTYP_GD\n P_ALP3D = P_ALP_GD\n P_BET3D = P_BET_GD\n P_GAM3D = P_GAM_GD\n XORIG3D = XORIG_GD\n YORIG3D = YORIG_GD\n XCENT3D = XCENT_GD\n YCENT3D = YCENT_GD\n XCELL3D = XCELL_GD\n YCELL3D = YCELL_GD\n VGTYP3D = VGTYP_GD\n VGTOP3D = VGTOP_GD\n! VGTPUN3D = VGTPUN_GD ! currently, not defined\n DO L = 1, NLAYS3D + 1\n VGLVS3D( L ) = VGLVS_GD( L )\n END DO\n! GDNAM3D = GDNAME_GD\n GDNAM3D = GRID_NAME ! from HGRD_DEFN\n\n DO V = 1, NMGDIAG\n VTYPE3D( V ) = M3REAL\n VNAME3D( V ) = WRMG_SPC( V )\n UNITS3D( V ) = 'mol s-1'\n VDESC3D( V ) = 'hourly ' // TRIM( VNAME3D( V ) ) \n & // ' marine gas emission rate'\n END DO\n\n FDESC3D( 1 ) = 'hourly layer-1 marine gas emission rates'\n DO L = 2, MXDESC3\n FDESC3D( L ) = ' '\n END DO\n\nC Open marine gas emissions diagnostic file\n IF ( .NOT. OPEN3( CTM_MGEM_1, FSNEW3, PNAME ) ) THEN\n XMSG = 'Could not create the CTM_MGEM_1 file'\n CALL M3EXIT( PNAME, SDATE3D, STIME3D, XMSG, XSTAT1 )\n END IF\n\n END IF\n#endif\n\n RETURN\n\n END SUBROUTINE OPMGEMIS\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE GET_MGEMIS ( JDATE, JTIME, TSTEP, CGRID, L_DESID_DIAG )\n\nC GET_MGEMIS calculates the marine gas emission rates in a grid cell\nC given the fractional grid-cell area covered by open ocean and surf zone\n\nC Key Subroutines/Functions Called: NONE\n\nC Revision History:\nC 03 Nov 15: B. Gantt and G. Sarwar: created the initial version from sea salt diagnostic file\nC 20 Feb 18: G. Sarwar: removed Br2, added DMS, and revised estimates of halocarbon and HOI/I2 emissions\nC 04 Dec 18: G. Srawar: updated local time calculation\nC\nCReferences:\nC MacDonald, S. M., Gómez Martín, J. C., Chance, R., Warriner, S., Saiz-Lopez, A., Carpenter, L. J.,\nC and Plane, J. M. C.: A laboratory characterisation of inorganic iodine emissions from the sea\nC surface: dependence on oceanic variables and parameterisation for global modelling, Atmos. Chem.\nC Phys., 14, 5841-5852, doi:10.5194/acp-14-5841-2014, 2014.\nC\nC Sherwen, T., Evans, M. J., Carpenter, L. J., Andrews, S. J., Lidster, R. T., Dix, B., Koenig, T. K., \nC Sinreich, R., Ortega, I., Volkamer, R., Saiz-Lopez, A., Prados-Roman, C., Mahajan, A. S., and Ordóñez, C.: \nC Iodine's impact on tropospheric oxidants: a global model study in GEOS-Chem. Atmos. Chem. Phys., 2016, 16, 1161-1186.\n\nC-----------------------------------------------------------------------\n USE UTILIO_DEFN\n USE AEROMET_DATA ! Includes CONST.EXT\n USE ASX_DATA_MOD, ONLY: MET_DATA ! added by Sarwar\n USE CGRID_SPCS ! CGRID mechanism species\n USE PCGRID_DEFN ! get cgrid\n USE GRID_CONF\n USE CENTRALIZED_IO_MODULE\n\n IMPLICIT NONE\n\nC Arguments\n INTEGER, INTENT( IN ) :: JDATE, JTIME, TSTEP( 3 )\n REAL, POINTER :: CGRID( :,:,:,: ) ! concentrations\n LOGICAL, INTENT( IN ) :: L_DESID_DIAG ! flag determining whether or not DESID\n ! is in diagnostic mode \nC Includes:\n INCLUDE SUBST_FILES_ID ! file name parameters\n\nC Parameters:\nC.. Define Marine Gas indices\n\n INTEGER, PARAMETER :: IMB3 = 1\n INTEGER, PARAMETER :: IMB2 = 2\n INTEGER, PARAMETER :: IMBC = 3\n INTEGER, PARAMETER :: IMB2C = 4\n INTEGER, PARAMETER :: IMBC2 = 5\n INTEGER, PARAMETER :: ICH3I = 6\n INTEGER, PARAMETER :: IMIC = 7\n INTEGER, PARAMETER :: IMIB = 8\n INTEGER, PARAMETER :: IMI2 = 9\n INTEGER, PARAMETER :: II2 = 10\n INTEGER, PARAMETER :: IHOI = 11\n INTEGER, PARAMETER :: IDMS = 12\n\n REAL, PARAMETER :: SECS2HR = 1.0 / 3600.0 ! hour per seconds\n REAL, PARAMETER :: C_FACT = 1.0E-9 /(24.0*3600.0) ! factor to convert nmole/m2/day to mole/m2/sec\n REAL, PARAMETER :: LON2TZ = 1.0 / 15.0 ! longitude to time zone, 1/degrees\n REAL, PARAMETER :: FHRLY(0:23) =\n & ( / 0.032, 0.032, 0.032, 0.033, 0.034, 0.036,\n & 0.039, 0.044, 0.051, 0.057, 0.062, 0.064,\n & 0.062, 0.057, 0.051, 0.044, 0.039, 0.036,\n & 0.034, 0.033, 0.032, 0.032, 0.032, 0.032 / )\n\nC Local Variables:\n! REAL :: OFRAC ! fractional seawater cover\n! REAL :: SFRAC ! fractional surf-zone cover\n REAL :: CHLA\n REAL :: SSTC\n REAL :: SST \n REAL :: DMS_L ! DMS in ocean water - nM \n REAL :: DMS ! DMS in atmosphere \n REAL :: SICE ! SEAICE in a gird-cell\n\n REAL :: SCN\n REAL :: K600\n REAL :: KW\n REAL :: KA\n REAL :: KT\n REAL :: GAMMA\n REAL :: ALPHA\n REAL :: H_DMS\n\n CHARACTER( 16 ), SAVE :: PNAME = 'GET_MGEMIS'\n CHARACTER( 96 ) :: XMSG = ' '\n CHARACTER( 80 ) :: MSG ! Message\n\n INTEGER :: C, R, L, N, V, S ! loop indices\n\n INTEGER :: LOGUNIT\n INTEGER :: NVARS, NSTEPS\n INTEGER :: LOCHR\n INTEGER :: OFF_SET\n INTEGER, SAVE :: WSTEP = 0 ! local write counter\n INTEGER :: MDATE, MTIME ! MGEM write date&time\n \n REAL :: IWSTEP ! reciprocal of local write counter\n REAL :: DX1, DX2 ! CX x1- and x2-cell widths\n REAL :: O3, I_AQ ! SST in K, SSTC in C, O3 in ppb, SWPD10 in m/s\n REAL :: DUMMY ! dummy variable for calculating marine gas emission\n! REAL :: WDSCALO ! WDSCALO: 10 meter wind-speed-dependent scaling factors for emissions flux functions\n! REAL :: SSTSCALO ! SSTSCALO: SST-dependent scaling factor for emissions from Jaegle et al. (2011) (SST in Celsius)\n REAL :: LOC_LON ! grid-cell longitude\n REAL :: WSPD10 ! wind speed\n REAL :: WSPD10_M5 ! wind speed with a minimum speed of 5 m/s (used for HOI and I2 emission calculation)\n REAL :: MARINE_AREA ! marine fraction of surface and later marine surface area\n REAL :: CURRHR ! current GMT hour\n REAL, SAVE :: A ! horizontal area of cells, m**2\n REAL, PARAMETER :: TWOTHIRDS = 2.0 / 3.0 ! 2.0 / 3.0\n REAL, PARAMETER :: ONESIXHUNDREDS = 1.0 / 600.0 ! 1.0 / 600.0\n\n LOGICAL, SAVE :: FIRST_TIME = .TRUE.\n#ifdef mpas\n CHARACTER( 20 ) :: time_stamp\n#endif\n\nC----------------------------- Begin calc ------------------------------\n\n IF( FIRST_TIME ) THEN\nC calculate grid-cell area\n#ifndef mpas\n IF ( GDTYP_GD .EQ. LATGRD3 ) THEN\n DX1 = DG2M * XCELL_GD ! in m.\n DX2 = DG2M * YCELL_GD\n & * COS( PI180*( YORIG_GD + YCELL_GD*FLOAT( GL_NROWS/2 )))! in m.\n ELSE\n DX1 = XCELL_GD ! in m.\n DX2 = YCELL_GD ! in m.\n END IF\n A = DX1 * DX2 ! m2\n#endif\n\n FIRST_TIME = .FALSE.\n END IF\n\n CURRHR = REAL ( TIME2SEC( JTIME ) ) / 3600.0\n\nC Assume MET_CRO_2D file is already opened\n\n IF (WSPD10_AVAIL) THEN\n call interpolate_var ('WSPD10', jdate, jtime, U10)\n ELSE\n call interpolate_var ('WIND10', jdate, jtime, U10)\n END IF\n\n IF (TSEASFC_AVAIL) THEN\n call interpolate_var ('TSEASFC', jdate, jtime, TSEASFC)\n ELSE\n call interpolate_var ('TEMPG', jdate, jtime, TSEASFC)\n END IF\n\n call interpolate_var ('SEAICE', jdate, jtime, SEAICE)\n\n ! Only write out marine gas diagnostics if not in diagnostic\n ! mode\n IF ( MGEMDIAG .AND. WSTEP .EQ. 0 .AND. .NOT. L_DESID_DIAG ) MGBF = 0.0\n\nC Initialize marine gas output buffer\n DO R = 1, NROWS\n DO C = 1, NCOLS\n MARINE_AREA = ( OCEAN( C,R ) + SZONE( C,R ) )\n IF ( MARINE_AREA .GT. 0.0 .AND. SEAICE( C, R ) .LE. 0.0) THEN\n! convert area fraction to an actual area\n#ifdef mpas\n MARINE_AREA = MARINE_AREA * cell_area(c,1)\n#else\n MARINE_AREA = MARINE_AREA * A\n#endif\n\n CHLA = MIN ( 1.0, CHLR ( C,R ) )\n WSPD10 = U10( C,R )\n WSPD10_M5 = MAX (5.0, WSPD10)\n SST = TSEASFC (C,R)\n! SSTC = SST - 273.15\n SSTC = MIN( (SST - 273.15), 30.0) \n LOC_LON = LON (C,R)\n O3 = 1000.0 * CGRID(C, R, 1, LGC_O3)\n DMS_L = DMSL( C, R ) \n\nC.. calculate iodide in water\n I_AQ = 1.46E6 * EXP( -9134.0 / SST)\n\n!.. calculate parameters needed for DMS emissions \n\n!.. Calculate Schmidt number of DMS (Saltzman et al, JGR, 1993)\n SCN = 2674.0 - 147.12 * SSTC + 3.726 * SSTC * SSTC - 0.038 * SSTC * SSTC * SSTC\n\n!.. Calculate water-side DMS gas-transfer velocity following Liss and Merlivat, 1986 (unit - cm/hr)\n IF ( WSPD10 .LE. 3.6 ) THEN\n KW = 0.17 * WSPD10 / ( (SCN * ONESIXHUNDREDS)**TWOTHIRDS)\n ELSE IF ( WSPD10 .GT. 3.6 .AND. WSPD10 .LE. 13.0 ) THEN\n KW = ( 2.85 * WSPD10 - 9.65 ) / SQRT(SCN * ONESIXHUNDREDS)\n ELSE IF ( WSPD10 .GT. 13.0) THEN\n KW = ( 5.9 * WSPD10 - 49.3 ) / SQRT(SCN * ONESIXHUNDREDS)\n ENDIF\n \n!.. Calculate air-side DMS gas-transfer velocity (McGills et al, JGR, 2000) (unit - cm/hr)\n KA = 659.0 * WSPD10 / SQRT(62.0/18.0)\n \n!.. Calculate Henry's Law Coefficient of DMS expressed as C_air/C_water following Dacey et al, GRL, 1984 (unit - atm . L /mole)\n H_DMS = EXP ( 12.64 - 3547.0/SST ) \n \n!.. Calculate Solubility Coeffcient of DMS expressed as C_water/C_air following McGills et al, JGR, 2000 - (unit dimensionless ) \n!.. Dacey et al. calculates Henry's Law Coefficient as C_air/C_water, thus, an inverse is taken for unit consistency \n!.. and then it is converted into dimensionless unit\n ALPHA = 0.082058 * SST / H_DMS \n\n!.. Calculate Atmospheric Gradient Fraction following Lan et al, Global Biogeochemical Cycles, 2011\n GAMMA = 1.0 /( 1.0 + KA / (ALPHA * KW)) \n\n!.. Calculate total gas transfer velocity for DMS following Lan et al, Global Biogeochemical Cycles, 2011 \n KT = KW * (1.0 - GAMMA)\n\nC.. calculate local hour\n OFF_SET = NINT(LOC_LON * LON2TZ )\n LOCHR = INT(CURRHR + OFF_SET )\n\n IF (LOCHR .LT. 0) LOCHR = LOCHR + 24\n IF (LOCHR .GT. 23) LOCHR = LOCHR - 24\n\n IF (INDEX( MECHNAME, 'CB6R5M_AE7_AQ' ) .GT. 0) THEN\n DUMMY = 4.31E-8 * MARINE_AREA * FHRLY(LOCHR) * CHLA * SECS2HR\n\nC.. Calculate MB3 emission rate in mole/s\n VDEMIS_MG( IMB3, C, R ) = DUMMY * 2.00\n\nC.. Calculate MB2 emission rate in mole/s\n VDEMIS_MG( IMB2, C, R ) = DUMMY * 0.50\n\nC.. Calculate MBC emission rate in mole/s\n VDEMIS_MG( IMBC, C, R ) = DUMMY * 0.08\n\nC.. Calculate MB2C emission rate in mole/s\n VDEMIS_MG( IMB2C, C, R ) = DUMMY * 0.12\n\nC.. Calculate MBC2 emission rate in mole/s\n VDEMIS_MG( IMBC2, C, R ) = DUMMY * 0.10\n\nC.. Calculate CH3I emission rate in mole/s\n VDEMIS_MG( ICH3I, C, R ) = DUMMY * 1.60\n\nC.. Calculate MIC emission rate in mole/s\n VDEMIS_MG( IMIC, C, R ) = DUMMY * 1.41\n\nC.. Calculate MIB emission rate in mole/s\n VDEMIS_MG( IMIB, C, R ) = DUMMY * 0.42\n\nC.. Calculate MI2 emission rate in mole/s\n VDEMIS_MG( IMI2, C, R ) = DUMMY * 0.46\n\nC.. Calculate I2 emission rate in mole/s (Macdonald et al., ACP, 14, 5841-5852, 2014)\n DUMMY = O3 * (I_AQ**1.3) * (1.74E9 - 6.54E8*LOG(WSPD10_M5)) ! NMOL/M2/D\n DUMMY = MARINE_AREA * DUMMY * C_FACT\n VDEMIS_MG( II2, C, R ) = MAX( 0.0, DUMMY )\n\nC.. Calculate HOI emission rate in mole/s (Macdonald et al., ACP, 14, 5841-5852, 2014)\n DUMMY = SQRT(I_AQ)\n DUMMY = O3\n & * ((4.15E5*DUMMY - 20.6)/WSPD10_M5 - 23600.0*DUMMY) ! NMOL/M2/D\n DUMMY = MARINE_AREA * DUMMY * C_FACT\n VDEMIS_MG( IHOI, C, R ) = MAX( 0.0, DUMMY )\n END IF\n\nC .. Calculate DMS emission rate in mole/s\n DUMMY = MARINE_AREA * DMS_L * KT * 2.78E-12\n VDEMIS_MG( IDMS, C, R ) = MAX ( 0.0, DUMMY)\n\n ELSE\n DO N = 1, NMGSPC\n VDEMIS_MG( N, C, R ) = 0.0\n END DO\n CYCLE\n END IF\n\nC Update the MGBF array, for writing the diagnostic marine gas emission file\n IF ( MGEMDIAG .AND. .NOT. L_DESID_DIAG ) THEN\n V = 0\n DO S = 1, NMGSPC\n V = V + 1\n MGOUTD( V ) = VDEMIS_MG( S,C,R )\n END DO\n\n DO S = 1, NMGDIAG\n MGBF( S,C,R ) = MGBF( S,C,R ) + MGOUTD( MG_SPC_IND (S) )\n & * REAL( TIME2SEC ( TSTEP( 2 ) ) )\n END DO\n END IF ! MGEMDIAG\n\n END DO ! C\n END DO ! R\n\n\nC If last call this hour, write out the total MG emissions [moles/s].\nC Then reset the MG emissions array and local write counter.\n IF ( MGEMDIAG .AND. .NOT. L_DESID_DIAG ) THEN\n\n WSTEP = WSTEP + TIME2SEC( TSTEP( 2 ) )\n\n IF ( WSTEP .GE. TIME2SEC( TSTEP( 1 ) ) ) THEN\n IWSTEP = 1.0 / REAL( WSTEP )\n#ifdef mpas\n call mio_time_format_conversion (jdate, jtime, time_stamp)\n#else\n\n IF ( .NOT. CURRSTEP( JDATE, JTIME, STDATE, STTIME, TSTEP( 1 ),\n & MDATE, MTIME ) ) THEN\n XMSG = 'Cannot get step date and time'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT3 )\n END IF\n CALL NEXTIME( MDATE, MTIME, TSTEP( 1 ) )\n#ifdef parallel_io\n IF ( .NOT. IO_PE_INCLUSIVE ) THEN\n IF ( .NOT. OPEN3( CTM_MGEM_1, FSREAD3, PNAME ) ) THEN\n XMSG = 'Could not open ' // TRIM(CTM_MGEM_1)\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n END IF\n#endif\n#endif\n DO V = 1, NMGDIAG\n DO R = 1, NROWS\n DO C = 1, NCOLS\n WRMG( C,R ) = MGBF( V,C,R ) * IWSTEP\n END DO\n END DO\n#ifdef mpas\n call mio_fwrite (CTM_MGEM_1, WRMG_SPC(V), pname, WRMG(:,1), time_stamp)\n#else\n IF ( .NOT. WRITE3( CTM_MGEM_1, WRMG_SPC( V ),\n & MDATE, MTIME, WRMG ) ) THEN\n XMSG = 'Couldnt write ' // CTM_MGEM_1 // 'file'\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n#endif\n END DO\n#ifdef mpas\n WRITE( LOGDEV, '( /5X, 3( A, :, 1X ), a19)')\n & 'Timestep written to', CTM_MGEM_1,\n & 'for time stamp', time_stamp\n#else\n WRITE( LOGDEV, '( /5X, 3( A, :, 1X ), I8, \":\", I6.6 )')\n & 'Timestep written to', CTM_MGEM_1,\n & 'for date and time', MDATE, MTIME\n#endif\n WSTEP = 0\n MGBF = 0.0\n END IF\n\n END IF ! MGDIAG\n\n RETURN\n\n END SUBROUTINE GET_MGEMIS\n\n END MODULE MGEMIS\n" }, { "path": "CCTM/src/emis/emis/PT3D_DEFN.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n MODULE PT3D_DEFN\n\nC-----------------------------------------------------------------------\nC Function: 3d point source emissions interface to the chemistry-transport model\n\nC Revision History:\nC 21 Nov 2007 J.Young: initial implementation\nC 1 Jun 2010 David Wong: In subroutine GET_PT3D_EMIS, removed a IF-THEN\nC block of code since the argument for TIME2SEC is in\nC HHMMSS format rather than day format and also\nC STKDATE is already set correctly\nC 16 Feb 2011 S.Roselle: replaced I/O API include files with UTILIO_DEFN\nC 11 May 2011 David Wong: incorporated twoway model implementation\nC 27 Jul 2011 David Wong: 1. in subroutine GET_PT3D_EMIS, use PRE_JDATE, and\nC LOC_STKDATE to track change of date during a\nC simulation when the start time is not 0, so\nC correct data can be pulled by INTERPX routine\nC 2. used WINDOW logical variable (in subroutine\nC PT3D_INIT) to determine x and y orig information\nC and in subroutine READGC3, do not expand the\nC STATCOL and STRTROw in the west and south direction\nC 29 Oct 2011 J.Young: fix domain windowing\nC 30 Apr 2012 C.Nolte: fix number of substeps, NTICS to be the number of\nC synchronization time steps rather than the number of seconds. \nC 19 Dec 2013 D. Wong: used WRTIME, a robust way to determine when to write the \nC PT3D diagnostic file instead of relying on NTICS in particular\nC for the twoway model where a time step can be sub-divided.\nC 29 Jul 2014 D. Wong: check MET_CRO_3D and MET_DOT_3D separately for domain windowing\nC 12 Aug 2015 D. Wong: - Used assumed shape array declaration and declared associated \nC subroutines in INTERFACE block\nC - Replaced BMATVEC with BMATVECN which will call with a 1d or \nC 2d argument subroutine by F90 poly-morphism feature\nC - Based on the condition of MY_NSRC ( > 0 or not) to determine \nC execution of certain section of code or not\nC 30 Apr 2016 J.Young: add multiple fire source capability, in affiliation with\nC Yongtao Hu (Georgia Tech)\nC 22 Jun 2016 B.Hutzell: Fixed issue where single emis species maps to multiple model\nC species\nC 08 Aug 2016 B.Murphy: Neglect fire emissions for pcVOC\nC 16 Aug 2017 B.Murphy: Pull plume height calc. to separate subroutine.\nC 01 Feb 2019 D.Wong: Implemented centralized I/O approach and removed everything \nC related to ZSTATIC\nC 05 June 2019 F. Sidi: Bugfix related to Parallel I/O Implementation\nC 05 Aug 2019 D. Wong: Removed USE BMATVEC_MODULE statement and PTBILIIN\nC 19 Sep 2019 D. Wong: Fixed the way to advance to next day on an emission file, DESID_STREAM_DATE\nC-----------------------------------------------------------------------\n\n USE UDTYPES, ONLY: RARRY1\n\n IMPLICIT NONE\n\n\n PUBLIC PT3D_INIT, GET_PT3D_EMIS\n PRIVATE\n\nC Output layer fractions, dimensioned NSRC, DESID_LAYS, and for diagnostic file\n REAL, ALLOCATABLE, SAVE :: LFRAC( :,: ) ! per source local layer fractn\n REAL, ALLOCATABLE, SAVE :: TFRAC( :,: ) ! Temporary LFRAC\n\nC debugging zplume\n REAL, ALLOCATABLE, SAVE :: ZPLUM( :,: ) ! has to be 2D for play file\n\nC Wildfire emissions source parameters\n TYPE( RARRY1 ), ALLOCATABLE, SAVE :: ACRES( : ) ! acres burned\n TYPE( RARRY1 ), ALLOCATABLE, SAVE :: BFLUX( : ) ! Briggs buoyancy flux\n\nC Vertical coord values\n REAL, ALLOCATABLE, SAVE :: VGLVSXG( : )\n\nC Play report log\n INTEGER, ALLOCATABLE, SAVE :: RDEV( : )\nC Play files source id file\n#ifdef srcid\n INTEGER, ALLOCATABLE, SAVE :: LDEV( : )\n#endif\nC Plume rise info report files\n CHARACTER( 13 ), ALLOCATABLE, SAVE :: REPTNAME( : )\n CHARACTER( 11 ) :: REPSTR\n\nC Layer fractions matrix output files\n CHARACTER( 16 ), ALLOCATABLE, SAVE :: PLAYNAME( : )\nC Layer fractions source id output files\n CHARACTER( 16 ), ALLOCATABLE, SAVE :: PLAY_SRCID_NAME( : )\n\nC Point source 3d emis diagnostic file names\n! CHARACTER( 16 ), SAVE :: PT3DNAME\nC Point source 3d emis diagnostic integral average write buffers\n REAL, ALLOCATABLE, SAVE :: VDEMIS_BUF( :,:,:,: )\nC Diagnostic file avg factor\n REAL :: DIVFAC\n\n\nC Stack parameters\n TYPE( RARRY1 ), ALLOCATABLE, SAVE :: STK_DM( : )\n TYPE( RARRY1 ), ALLOCATABLE, SAVE :: STK_HT( : )\n TYPE( RARRY1 ), ALLOCATABLE, SAVE :: STK_TK( : )\n TYPE( RARRY1 ), ALLOCATABLE, SAVE :: STK_VEL( : )\n\nC Private Parameters:\n CHARACTER( 10 ), PARAMETER :: BLANK10 = ' '\n\nC cross-point layered grid file name\n CHARACTER( 16 ), SAVE :: GC3NAME\n\nC hourly stack emissions file names\n CHARACTER( 16 ), ALLOCATABLE, SAVE :: STKENAME( : )\n\n CHARACTER( 240 ) :: XMSG = ' '\n \n CONTAINS\n\nC=======================================================================\n\n FUNCTION PT3D_INIT ( JDATE, JTIME, TSTEP )\n & RESULT ( SUCCESS )\n\n USE GRID_CONF, ONLY: NLAYS, VGTYP_GD\n USE STK_PRMS, ONLY: SOURCE, STK_PRMS_INIT, MY_NSRC\n USE STK_EMIS, ONLY: DESID_STREAM_NAME, NSRC_EMIS, FIREFLAG,\n & MAP_PTtoISRM, STK_EMIS_INIT\n USE PTMET, ONLY: PTMET_DATA, MC2NAME, MC3NAME, MD3NAME, PTMET_INIT\n USE PTBILIN, ONLY: NPTGRPS, \n & METCXORIG, METCYORIG, XCELLCG, YCELLCG, \n & METDXORIG, METDYORIG, XCELLDG, YCELLDG\n\n USE UTILIO_DEFN\n USE RUNTIME_VARS, ONLY: LOGDEV, MYPE, PT3DFRAC, PT_DATE, STDATE, STTIME,\n & PT_TIME, PT_NSTEPS, REP_LAYR\n USE DESID_VARS, ONLY: DESID_LAYS, DESID_MAXLAYS\n USE stack_group_data_module\n USE centralized_io_module, only : window\n\n IMPLICIT NONE\n\nC Includes:\n INCLUDE SUBST_FILES_ID ! file name parameters (for CTM_PT3D_DIAG)\n\nC Arguments:\n INTEGER JDATE ! Julian date (YYYYDDD)\n INTEGER JTIME ! time (HHMMSS)\n INTEGER TSTEP ! output time step\n LOGICAL SUCCESS\n\nC Parameters:\n\nC Local Variables:\n CHARACTER( 16 ) :: PNAME = 'PT3D_INIT ' ! procedure name\n CHARACTER( 16 ) :: VNAME ! variable name buffer\n! CHARACTER( 16 ), SAVE, ALLOCATABLE :: STKGNAME( : ) ! stack groups file name\n\n INTEGER METCCOLS ! cross point grid number of columns\n INTEGER METCROWS ! cross point grid number of rows\n INTEGER METDCOLS ! dot point grid number of columns\n INTEGER METDROWS ! dot point grid number of rows\n INTEGER IOS ! i/o and allocate memory status\n INTEGER NDATE ! next timestep file Julian date (YYYYDDD)\n INTEGER NTIME ! next timestep file time (HHMMSS)\n\n INTEGER I, J, K, L, M, N, P, S, SRC, V, ISRM ! counters and indices\n\n INTEGER :: GXOFF, GYOFF\n INTEGER :: STRTCOLMC, ENDCOLMC, STRTROWMC, ENDROWMC\n\n INTERFACE\n SUBROUTINE DELTA_ZS( DESID_LAYS, MY_NSRC, SRC_MAP, STKHT, ZF, ZSTK, DDZF )\n INTEGER, INTENT( IN ) :: DESID_LAYS, MY_NSRC\n INTEGER, INTENT( IN ) :: SRC_MAP( : )\n REAL, INTENT( IN ) :: STKHT( : )\n REAL, INTENT( IN ) :: ZF ( :,: )\n REAL, INTENT( OUT ) :: ZSTK( :,: )\n REAL, INTENT( OUT ) :: DDZF( :,: )\n END SUBROUTINE DELTA_ZS\n SUBROUTINE OPENLAYOUT( NDATE, NTIME, TSTEP, EMLAYS, VGLVSXG, NPTGRPS,\n & MY_NSRC, PLAYNAME )\n INTEGER, INTENT( IN ) :: NDATE\n INTEGER, INTENT( IN ) :: NTIME\n INTEGER, INTENT( IN ) :: TSTEP\n INTEGER, INTENT( IN ) :: EMLAYS\n REAL, INTENT( IN ) :: VGLVSXG( 0: )\n INTEGER, INTENT( IN ) :: NPTGRPS\n INTEGER, INTENT( IN ) :: MY_NSRC( : )\n CHARACTER( * ), INTENT( OUT ) :: PLAYNAME( : )\n END SUBROUTINE OPENLAYOUT\n END INTERFACE\n\nC-----------------------------------------------------------------------\n\n SUCCESS = .TRUE.\n\nC In-line 3D point source emissions?\n IF ( NPTGRPS .GT. 0 ) THEN\n XMSG = 'Using in-line 3d point source emissions option'\n CALL M3MSG2( XMSG )\n ELSE\n RETURN\n END IF\n\n\nC Cannot use default and cannot set to less than 4 because of limits of plume\nC rise algorithm\n IF ( DESID_MAXLAYS .GT. 0 .AND. DESID_MAXLAYS .LT. 4 ) THEN\n XMSG = 'Environment variable CTM_DESID_LAYS must be set to ' //\n & 'a number from 4 to the ' // CRLF() // BLANK10 //\n & 'number of layers in the meteorology inputs.'\n CALL M3WARN ( PNAME, JDATE, JTIME, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\nC get diagnostic files options\n IF ( REP_LAYR .LT. 1 ) THEN\n XMSG = 'NOTE: Environment variable REP_LAYR_MIN is ' //\n & 'less than 1. Turning off reporting...'\n ELSE IF ( REP_LAYR .GT. DESID_LAYS ) THEN\n WRITE( XMSG,94010 )\n & 'NOTE: Environment variable REP_LAYR_MIN is '//\n & 'greater than the number of emissions ' //\n & CRLF() // BLANK10 // 'layers (', DESID_LAYS, '). '//\n & 'Resetting to number of emissions layers.'\n REP_LAYR = DESID_LAYS\n ELSE\n WRITE( XMSG,94010 )\n & 'logging stack data for plume rise .ge. layer', REP_LAYR\n\n END IF\n\n CALL M3MSG2( XMSG )\n#ifndef mpas\n#ifdef srcid\n IF ( PT3DFRAC ) THEN ! save local source id's\n ALLOCATE ( LDEV( NPTGRPS ), STAT = IOS )\n CALL CHECKMEM( IOS, 'LDEV', PNAME )\n LDEV = 0 ! array\n WRITE( XMSG,94010 ) \"Enter logical name for file containing \" //\n & \"source id's of play files\"\n ALLOCATE ( PLAY_SRCID_NAME( NPTGRPS ), STAT = IOS )\n CALL CHECKMEM( IOS, 'PLAY_SRCID_NAME', PNAME )\n DO N = 1, NPTGRPS\n WRITE( REPSTR,'( \"SRCIDLAY\", I2.2, \"_\" )' ) N\n WRITE( PLAY_SRCID_NAME( N ),'( A, I2.2 )' ) REPSTR, MYPE ! limited to 99 PE's\n LDEV( N ) = PROMPTFFILE( XMSG, .FALSE., .TRUE.,\n & PLAY_SRCID_NAME( N ), PNAME )\n END DO\n END IF\n#endif\n\n ALLOCATE ( RDEV( NPTGRPS ), STAT = IOS )\n CALL CHECKMEM( IOS, 'RDEV', PNAME )\n RDEV = 0 ! array\n IF ( REP_LAYR .GT. 0 ) THEN\n WRITE( XMSG,94010 ) 'Enter logical name for report of ' //\n & 'plumes exceeding layer', REP_LAYR\n ALLOCATE ( REPTNAME( NPTGRPS ), STAT = IOS )\n CALL CHECKMEM( IOS, 'REPTNAME', PNAME )\n DO N = 1, NPTGRPS\n WRITE( REPSTR,'( \"REPRTLAY\", I2.2, \"_\" )' ) N\n WRITE( REPTNAME( N ),'( A, I2.2 )' ) REPSTR, MYPE ! limited to 99 PE's\n RDEV( N ) = PROMPTFFILE( XMSG, .FALSE., .TRUE., REPTNAME( N ), PNAME )\n END DO\n END IF\n\nC get scenario timing\n\n PT_DATE = JDATE \n PT_TIME = JTIME\n\nC open met files\n\n MC2NAME = PROMPTMFILE( 'Enter name for CROSS-POINT SURFACE MET file',\n & FSREAD3, 'MET_CRO_2D', PNAME )\n\n MC3NAME = PROMPTMFILE( 'Enter name for CROSS-POINT LAYERED MET file',\n & FSREAD3, 'MET_CRO_3D', PNAME )\n\n MD3NAME = PROMPTMFILE( 'Enter name for DOT-POINT LAYERED MET file',\n & FSREAD3, 'MET_DOT_3D', PNAME )\n\nC Get grid parameters from 3-d cross-point met file and store header information.\nC Use time parameters for time defaults.\n CALL RETRIEVE_IOAPI_HEADER( MC3NAME, JDATE, JTIME )\n\n CALL SUBHFILE ( MC3NAME, GXOFF, GYOFF,\n & STRTCOLMC, ENDCOLMC, STRTROWMC, ENDROWMC )\n\nC Initialize reference grid with met file\n XCELLCG = XCELL3D\n YCELLCG = YCELL3D\n METCCOLS = NCOLS3D\n METCROWS = NROWS3D\n METCXORIG = XORIG3D\n METCYORIG = YORIG3D\n\n IF ( ( GXOFF .GT. 0 ) .AND. ( GYOFF .GT. 0 ) ) THEN\n METCXORIG = XORIG3D + REAL( GXOFF,8 ) * XCELL3D\n METCYORIG = YORIG3D + REAL( GYOFF,8 ) * YCELL3D\n ELSE\n METCXORIG = XORIG3D\n METCYORIG = YORIG3D\n END IF\n\n!!!!!!^^^^^^^!!!! THESE NEED TO BE CHECKED AGAINST GRIDDESC\n\nC Get grid parameters from 3-d dot-point met file and store header information.\nC (declared and stored in PTBILIN module)\n CALL RETRIEVE_IOAPI_HEADER( MD3NAME, JDATE, JTIME )\n XCELLDG = XCELL3D\n YCELLDG = YCELL3D\n METDXORIG = XORIG3D\n METDYORIG = YORIG3D\n METDCOLS = NCOLS3D\n METDROWS = NROWS3D\n\n CALL SUBHFILE ( MD3NAME, GXOFF, GYOFF,\n & STRTCOLMC, ENDCOLMC, STRTROWMC, ENDROWMC )\n\n IF ( ( GXOFF .GT. 0 ) .AND. ( GYOFF .GT. 0 ) ) THEN\n METDXORIG = XORIG3D + REAL( GXOFF,8 ) * XCELL3D\n METDYORIG = YORIG3D + REAL( GYOFF,8 ) * YCELL3D\n ELSE\n METDXORIG = XORIG3D\n METDYORIG = YORIG3D\n END IF\n\nC Compare number of meteorology layers to number of emissions layers\n! IF ( DESID_LAYS .LE. NLAYS ) THEN\n! WRITE( XMSG,94010 ) 'NOTE: The number of emission layers ' //\n! & 'is', DESID_LAYS, ', and the maximum ' // CRLF()\n! & // BLANK10 // 'possible layers is', NLAYS\n! CALL M3MSG2( XMSG )\n! ELSE\n! WRITE( XMSG,94010 ) 'Resetting number of emission layers ' //\n! & 'from', DESID_LAYS, 'to number of ' // CRLF() //\n! & BLANK10 // 'layers in the meteorology file,', NLAYS\n! CALL M3WARN( PNAME, JDATE, JTIME, XMSG )\n! DESID_LAYS = NLAYS\n! END IF\n\n ALLOCATE( VGLVSXG( 0:MXLAYS3 ), STAT = IOS )\n CALL CHECKMEM( IOS, 'VGLVSXG', PNAME )\n\nC Store local layer information\n J = LBOUND( VGLVS3D, 1 ) ! F90 array intrinsic\n VGLVSXG( 0 ) = VGLVS3D( J )\n DO L = 1, NLAYS\n J = J + 1\n VGLVSXG( L ) = VGLVS3D( J )\n END DO\n\n IF ( PT_NSTEPS .GT. MXREC3D ) THEN\n WRITE( XMSG,94010 ) 'Requested output time steps > those on met file '\n & // CRLF() // BLANK10 // 'reset to ', MXREC3D\n PT_NSTEPS = MXREC3D\n END IF\n\nC Get stack data\n! ALLOCATE ( STKGNAME( NPTGRPS ), STAT = IOS ) ! stk parms files array\n! CALL CHECKMEM( IOS, 'STKGNAME', PNAME )\n! STKGNAME = ' ' ! array\n\n! DO N = 1, NPTGRPS\n! WRITE( VNAME,'( \"STK_GRPS_\",I3.3 )' ) N\n! STKGNAME( N ) = PROMPTMFILE( 'Enter name for stack groups file',\n! & FSREAD3, VNAME, PNAME )\n! END DO\n\n! IF ( .NOT. STK_PRMS_INIT( STKGNAME ) ) THEN\n! XMSG = 'Could not initialize stack parameters'\n! CALL M3WARN ( PNAME, JDATE, JTIME, XMSG )\n! SUCCESS = .FALSE.; RETURN\n! END IF\n#endif\n\n#ifdef srcid\n IF ( PT3DFRAC ) THEN\n DO N = 1, NPTGRPS\n WRITE( LDEV( N ),93053 ) N, MY_NSRC( N ), MY_STRT_SRC( N )\n DO S = 1, MY_NSRC( N )\n WRITE( LDEV( N ),93057 ) S, SOURCE( N )%ARRY( S ) + MY_STRT_SRC( N ) - 1\n END DO\n END DO\n END IF\n#endif\n\nC Initialize stack emissions data\n ALLOCATE ( STKENAME( NPTGRPS ), STAT = IOS ) ! stk emis files array\n CALL CHECKMEM( IOS, 'STKENAME', PNAME )\n STKENAME = ' ' ! array\n\n ! Retrive Point Source Filenames from Emissions Filename Vector\n DO N = 1, NPTGRPS\n ISRM = MAP_PTtoISRM( N )\n STKENAME( N ) = DESID_STREAM_NAME( ISRM )\n END DO\n\n ! Initialize Point Source Emissions\n IF ( .NOT. STK_EMIS_INIT( STKENAME, JDATE, JTIME ) ) THEN\n XMSG = 'Could not initialize stack parameters'\n CALL M3WARN ( PNAME, JDATE, JTIME, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\n ! Check that the number of individual sources on each point\n ! emissions file is consistent.\n DO N = 1, NPTGRPS\n IF ( NSRC( N ) .NE. NSRC_EMIS( N ) ) THEN\n WRITE( LOGDEV,* ) 'NSRC vs. NSRC_EMIS:', N, NSRC( N ), NSRC_EMIS( N )\n XMSG = 'No. of sources for stack files don''t match'\n CALL M3WARN ( PNAME, JDATE, JTIME, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n END DO\n\nC Open diagnostic layer fractions file?\n IF ( PT3DFRAC ) THEN\n ALLOCATE ( PLAYNAME( NPTGRPS ), STAT = IOS ) ! stk parms files array\n CALL CHECKMEM( IOS, 'PLAYNAME', PNAME )\n PLAYNAME = ' ' ! array\n NDATE = PT_DATE; NTIME = PT_TIME\n CALL NEXTIME( NDATE, NTIME, TSTEP ) ! advance one output tstep\n CALL OPENLAYOUT( NDATE, NTIME, TSTEP, DESID_LAYS, VGLVSXG, NPTGRPS,\n & MY_NSRC, PLAYNAME )\n END IF\n\n IF ( .NOT. PTMET_INIT ( ) ) THEN\n XMSG = 'Could not initialize stack met data'\n CALL M3WARN ( PNAME, JDATE, JTIME, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\n ALLOCATE( STK_DM( NPTGRPS ), STAT = IOS )\n CALL CHECKMEM( IOS, 'STK_DM', PNAME )\n\n ALLOCATE( STK_HT( NPTGRPS ), STAT = IOS )\n CALL CHECKMEM( IOS, 'STK_HT', PNAME )\n\n ALLOCATE( STK_TK( NPTGRPS ), STAT = IOS )\n CALL CHECKMEM( IOS, 'STK_TK', PNAME )\n\n ALLOCATE( STK_VEL( NPTGRPS ), STAT = IOS )\n CALL CHECKMEM( IOS, 'STK_VEL', PNAME )\n\n ALLOCATE( ACRES (NPTGRPS ), STAT = IOS )\n CALL CHECKMEM( IOS, 'ACRES', PNAME )\n\n ALLOCATE( BFLUX (NPTGRPS ), STAT = IOS )\n CALL CHECKMEM( IOS, 'BFLUX', PNAME )\n\n DO N = 1, NPTGRPS\n\nC Allocate and set stack parameters\n\n IF ( MY_NSRC( N ) .GT. 0 ) THEN\n ALLOCATE( STK_DM( N )%ARRY( MY_NSRC( N ) ), STAT = IOS )\n CALL CHECKMEM( IOS, 'STK_DM', PNAME )\n STK_DM( N )%ARRY = 0.0 ! 1D array\n STK_DM( N )%LEN = MY_NSRC( N )\n\n ALLOCATE( STK_HT( N )%ARRY( MY_NSRC( N ) ), STAT = IOS )\n CALL CHECKMEM( IOS, 'STK_HT', PNAME )\n STK_HT( N )%ARRY = 0.0 ! 1D array\n STK_HT( N )%LEN = MY_NSRC( N )\n\n ALLOCATE( STK_TK( N )%ARRY( MY_NSRC( N ) ), STAT = IOS )\n CALL CHECKMEM( IOS, 'STK_TK', PNAME )\n STK_TK( N )%ARRY = 0.0 ! 1D array\n STK_TK( N )%LEN = MY_NSRC( N )\n\n ALLOCATE( STK_VEL( N )%ARRY( MY_NSRC( N ) ), STAT = IOS )\n CALL CHECKMEM( IOS, 'STK_VEL', PNAME )\n STK_VEL( N )%ARRY = 0.0 ! 1D array\n STK_VEL( N )%LEN = MY_NSRC( N )\n \n DO S = 1, MY_NSRC( N )\n#ifdef mpas\n SRC = S\n#else\n SRC = SOURCE( N )%ARRY( S )\n#endif\n STK_DM( N )%ARRY( S ) = STKDIAM( N )%ARRY( SRC )\n STK_HT( N )%ARRY( S ) = STKHT( N )%ARRY( SRC )\n STK_TK( N )%ARRY( S ) = STKTK( N )%ARRY( SRC )\n STK_VEL( N )%ARRY( S ) = STKVEL( N )%ARRY( SRC )\n END DO\n\nC If wildfires, allocate fire parameters\n IF ( FIREFLAG( N ) ) THEN\n\n ALLOCATE( ACRES( N )%ARRY( MY_NSRC( N ) ), STAT = IOS )\n CALL CHECKMEM( IOS, 'ACRES', PNAME )\n ACRES( N )%ARRY = 0.0 ! 1D array\n ACRES( N )%LEN = MY_NSRC( N )\n\n DO S = 1, MY_NSRC( N )\n#ifdef mpas\n SRC = S\n#else\n SRC = SOURCE( N )%ARRY( S )\n#endif\n ACRES( N )%ARRY( S ) = ACRES_BURNED( N )%ARRY( SRC )\n END DO\n\n ALLOCATE( BFLUX( N )%ARRY( MY_NSRC( N ) ), STAT = IOS )\n CALL CHECKMEM( IOS, 'BFLUX', PNAME )\n BFLUX( N )%ARRY = 0.0 ! 1D array\n BFLUX( N )%LEN = MY_NSRC( N )\n\n END IF\n END IF ! MY_NSRC > 0\n\n END DO\n\n SUCCESS = .TRUE.; RETURN\n\n93053 FORMAT(\"# Src Id's for play file\", I2, ', with', I10, ' total sources',\n & \", and my_strt_src:\", I10 )\n93057 FORMAT( I6, I8 )\n94010 FORMAT( 12( A, :, I8, :, 1X ) )\n\n END FUNCTION PT3D_INIT\n\nC=======================================================================\n\n SUBROUTINE GET_PT3D_EMIS ( JDATE, JTIME, TSTEP, EMVAR_PT, ISRM,\n & VDEMIS_PT, PTLAYS, L_DESID_DIAG )\n\n! Revision History.\n! Aug 12, 15 D. Wong: added code to handle parallel I/O implementation\n! Jun 05, 19 F. Sidi: Bugfix related to Parallel I/O Implementation\n\n!-----------------------------------------------------------------------\n\n! Time step part of laypoint\n\n USE GRID_CONF, ONLY: NCOLS, NROWS, IO_PE_INCLUSIVE\n USE STK_PRMS, ONLY : MY_NSRC, MY_STRT_SRC, MY_END_SRC, \n & MY_STKCOL, MY_STKROW, SOURCE,\n#ifdef mpas\n & MY_STKBUFF, MY_COLBUFF, MY_ROWBUFF, my_nsrc_mesh_index\n#else\n & MY_STKBUFF, MY_COLBUFF, MY_ROWBUFF\n#endif\n USE STK_EMIS, ONLY : IPSRM, DESID_N_ISTR, DESID_EMVAR, DESID_STREAM_DATE, \n & STKBUFF, NSRC_EMIS\n USE PRECURSOR_DATA, ONLY : PRECURSOR_MW, SULF_IDX\n USE RUNTIME_VARS, ONLY : LOGDEV, PT3DDIAG, PT3DFRAC, STDATE, STTIME\n USE CENTRALIZED_IO_MODULE\n USE UTILIO_DEFN\n#ifdef mpas\n use util_module, only : nextime\n USE PTMET, ONLY : DESID_LAYS, PTMET_CONVT_MPAS\n#else\n USE PTMET, ONLY : DESID_LAYS, PTMET_CONVT\n#endif\n\n IMPLICIT NONE\n\n! Includes:\n INCLUDE SUBST_CONST ! physical and mathematical constants\n INCLUDE SUBST_FILES_ID ! file name parameters (for CTM_PT3D_DIAG)\n\n! Arguments:\n CHARACTER(16), INTENT( IN ) :: EMVAR_PT( : )\n INTEGER :: JDATE, JTIME\n INTEGER, INTENT( IN ) :: TSTEP( 3 )\n INTEGER, INTENT( IN ) :: ISRM\n INTEGER, INTENT( OUT) :: PTLAYS\n REAL, INTENT(INOUT) :: VDEMIS_PT( :,:,:,: ) \n\n! Parameters:\n\n LOGICAL, EXTERNAL :: WRITE3_DISTR ! calls WRITE3 directly\n\n! Local variables:\n INTEGER CDATE ! previous step start date\n INTEGER CTIME ! previous step start time\n INTEGER, SAVE :: LDATE = 0 ! previous date\n INTEGER LTOP ! layer containing plume top\n INTEGER SRC ! source pointer in this proc sub-domain\n INTEGER MY_DELTA ! total number of sources on this processor\n REAL LFRC ! intermediate LFRAC\n REAL TSUM ! tmp layer frac sum for renormalizing\n REAL, ALLOCATABLE, SAVE :: MY_STKEMIS( :,:,: )\n\n CHARACTER( 8 ) :: CINT ! integer to character buffer for warning messages\n CHARACTER( 16 ) :: PNAME = 'GET_PT3D_EMIS ' ! procedure name\n CHARACTER( 16 ) :: VNAME ! variable name buffer\n\n INTEGER IOS ! i/o and allocate memory status\n INTEGER L, S, V ! counters\n INTEGER C, R, I, J, K, N, ISPC\n\n INTEGER, SAVE :: WSTEP = 0\n INTEGER WDATE, WTIME\n LOGICAL, SAVE :: WRTIME\n INTEGER, SAVE :: NTICS = 0 ! no. of substeps within an output tstep\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n LOGICAL :: L_DESID_DIAG ! flag determining whether or not DESID\n ! is in diagnostic mode \n LOGICAL :: L_NEWDAY\n\n INTEGER :: NDATE, NTIME\n INTEGER, ALLOCATABLE, SAVE :: PRE_DESID_STREAM_DATE(:)\n \n#ifdef Verbose1\n real mxzplm\n#endif\n\nC-----------------------------------------------------------------------\n\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n \n ALLOCATE ( MY_STKEMIS( DESID_LAYS,NCOLS,NROWS ), STAT = IOS )\n CALL CHECKMEM( IOS, 'MY_STKEMIS', PNAME )\n \n ! Set up and open 3d point source emissions diagnostic file?\n IF ( PT3DDIAG ) THEN\n NDATE = STDATE; NTIME = STTIME\n CALL NEXTIME( NDATE, NTIME, TSTEP(1) ) ! advance one output tstep\n CALL OPPT3D_DIAG( CTM_PT3D_DIAG, TSTEP(1), \n & DESID_EMVAR( ISRM )%LEN, DESID_EMVAR( ISRM )%ARRY( : ),\n & DESID_EMVAR( ISRM )%UNITS( : ) )\n \n\n ALLOCATE ( VDEMIS_BUF( DESID_N_ISTR,DESID_LAYS,NCOLS,NROWS ), STAT = IOS )\n CALL CHECKMEM( IOS, 'VDEMIS_BUF', PNAME )\n VDEMIS_BUF = 0.0 ! array\n \n WRITE( LOGDEV,'(/5X, A /5X, A )' )\n & 'Recording 3d point source emissions diagnostics',\n & 'as a linear average over the output timestep'\n#ifdef parallel_io\n IF ( .NOT. IO_PE_INCLUSIVE ) THEN\n IF ( .NOT. OPEN3( CTM_PT3D_DIAG, FSREAD3, PNAME ) ) THEN\n XMSG = 'Could not open ' // TRIM(CTM_PT3D_DIAG)\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT3 )\n END IF\n END IF\n#endif\n END IF\n ALLOCATE (PRE_DESID_STREAM_DATE(SIZE(DESID_STREAM_DATE)), STAT=IOS)\n PRE_DESID_STREAM_DATE = STDATE\n END IF\n\nC Based on the current time step, find whether or not a report should be written\n\n! WRITE( XMSG,'(A, I7.6)' )\n! & 'Calculating emissions point source layer fractions for', JTIME\n! WRITE( LOGDEV,* ) ' '\n! CALL M3MSG2( XMSG )\n!\n! IF ( LDATE .NE. JDATE ) THEN ! write day and date to stdout & XMSG\n! CALL WRDAYMSG( JDATE, XMSG )\n! LDATE = JDATE\n! WRITE( LOGDEV,'(9X, \"at time \", A)' ) HHMMSS( JTIME )\n! END IF\n! WRTIME = .FALSE.\n! WSTEP = WSTEP + TIME2SEC( TSTEP( 2 ) )\n! IF ( WSTEP .GE. TIME2SEC( TSTEP( 1 ) ) ) THEN\n! WDATE = JDATE; WTIME = JTIME\n! CALL NEXTIME( WDATE, WTIME, TSTEP( 2 ) )\n! IF ( .NOT. CURRSTEP( WDATE, WTIME, SDATE, STIME, TSTEP( 1 ),\n! & CDATE, CTIME ) ) THEN\n! XMSG = 'Cannot get step date and time'\n! CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT3 )\n! END IF\n! WDATE = CDATE; WTIME = CTIME\n! WSTEP = 0\n! WRTIME = .TRUE.\n! DO N = 1, NPTGRPS\n! IF ( RDEV( N ) .GT. 0 ) THEN ! write day, date and time to report file\n! WRITE( CINT,'( I8 )' ) REP_LAYR\n! CALL WRDAYMSG( WDATE, XMSG )\n! XMSG = XMSG( 1:LEN_TRIM( XMSG ) )\n! & // ' at time ' // HHMMSS( WTIME )\n! & // 'for ltop .ge. ' // TRIM( ADJUSTL( CINT ) )\n! WRITE( RDEV( N ),93000 ) XMSG( 1:LEN_TRIM( XMSG ) )\n! END IF\n! END DO\n! END IF\n\nC Initialize Output Array\n !VDEMIS_PT = 0.0 ! array assignment\n\n N = IPSRM( ISRM )\n\nC Convert pt source met data to bi-linear interpolated data\n#ifdef mpas\n CALL PTMET_CONVT_MPAS ( N )\n#else\n CALL PTMET_CONVT( JDATE, JTIME, N )\n#endif\n\n PTLAYS = 1 ! Initialize Point Layers at lowest possible value\n\n IF ( MY_NSRC( N ) .LE. 0 ) RETURN\n\n IF ( PT3DFRAC ) THEN ! Store layer fractions\n ALLOCATE( LFRAC( MY_NSRC( N ),DESID_LAYS ), STAT = IOS )\n CALL CHECKMEM( IOS, 'LFRAC', PNAME )\n ALLOCATE( ZPLUM( MY_NSRC( N ),DESID_LAYS ), STAT = IOS )\n CALL CHECKMEM( IOS, 'ZPLUM', PNAME )\n LFRAC = 0.0 ! 2-D array - Initialize layer fraction\n ZPLUM = 0.0 ! 2-D array - Initialize plume centroid height\n END IF\n\nC Ensure that the model and stack groups emissions timestamp dates stay synchronized\n L_NEWDAY = .FALSE.\n IF ( PRE_DESID_STREAM_DATE(ISRM) .NE. JDATE ) THEN \n L_NEWDAY = .TRUE.\n NDATE = JDATE; NTIME = JTIME\n CALL NEXTIME( NDATE, NTIME, -TSTEP( 1 ) ) ! go back one output tstep\n CALL NEXTIME( DESID_STREAM_DATE( ISRM ), NTIME, TSTEP( 1 ) ) ! advance the start date one time step\n PRE_DESID_STREAM_DATE(ISRM) = JDATE\n END IF\n\nC Allocate Array to Store the Layer Heights of All Stacks (i.e. sources)\nC from this Point Group (i.e. ptgrp)\n IF (MY_NSRC( N ) .GT. 0) THEN\n ALLOCATE( TFRAC( DESID_LAYS,MY_NSRC( N ) ), STAT = IOS )\n CALL CHECKMEM( IOS, 'TFRAC', PNAME )\n TFRAC = 0.0 ! array\n\nC Calculate Plume Heights for All Point Sources on this File\n CALL CALC_PLUME_HEIGHT( DESID_STREAM_DATE( ISRM ), JDATE, JTIME, WRTIME, N )\n\n ! Floor TFRAC to zero in case there are negatives and \n ! renormalize positive values so the sum is 1.0\n If ( MINVAL( TFRAC ) .LT. 0.0 ) THEN\n\n WHERE ( TFRAC( :,: ) .LT. 0.0 ) TFRAC( :,: ) = 0.0\n\n DO S = 1,MY_NSRC( N )\n TFRAC( :,S ) = TFRAC( :,S ) / SUM( TFRAC(:,S) )\n END DO\n END IF\n\n ! Calculate Maximum Layer Height across all source Plumes\n DO L = DESID_LAYS,1,-1\n PTLAYS = L\n IF ( COUNT( TFRAC(L,:) .EQ. 0.0 ) .LT. MY_NSRC( N ) ) EXIT\n END DO\n END IF\n\nC Read Emissions for all sources on File N \n DO ISPC = 1, DESID_N_ISTR\n VNAME = EMVAR_PT( ISPC )\n IF ( VNAME .EQ. '' ) CYCLE\n\n call interpolate_var (STKENAME(N), VNAME, DESID_STREAM_DATE( ISRM ), JTIME, STKBUFF(1:NSRC_EMIS(N)) )\n\n MY_STKEMIS( 1:PTLAYS,:,: ) = 0.0\n\n DO S = 1,MY_NSRC( N )\n#ifdef mpas\n C = my_nsrc_mesh_index( S, N )\n R = 1\n MY_STKBUFF( S ) = STKBUFF( S )\n#else\n SRC = SOURCE( N )%ARRY( S )\n MY_STKBUFF( S ) = STKBUFF( SRC )\n MY_COLBUFF( S ) = MY_STKCOL( N )%ARRY( S )\n MY_ROWBUFF( S ) = MY_STKROW( N )%ARRY( S )\n\n C = MY_COLBUFF( S )\n R = MY_ROWBUFF( S )\n#endif\n\n MY_STKEMIS( 1:PTLAYS,C,R ) = MY_STKEMIS( 1:PTLAYS,C,R )\n & + MY_STKBUFF( S ) * TFRAC( 1:PTLAYS,S )\n END DO\n\n ! Save Emissions in Common Array\n VDEMIS_PT( ISPC,1:PTLAYS,:,: ) = MY_STKEMIS( 1:PTLAYS,:,: )\n\n END DO ! End Loop on Species\n\n IF (MY_NSRC( N ) .GT. 0) DEALLOCATE( TFRAC )\n \n ! Reset the date of the gridded file if this is diagnostic mode\n ! and the day has advanced\n IF ( L_NEWDAY .AND. L_DESID_DIAG ) THEN\n CALL NEXTIME( DESID_STREAM_DATE( ISRM ), NTIME, -TSTEP(1) )\n PRE_DESID_STREAM_DATE( ISRM ) = DESID_STREAM_DATE( ISRM )\n END IF\n \nC Write Out Diagnostic Info \n IF ( PT3DFRAC .AND. WRTIME ) THEN ! Write out layer fractions\n IF ( .NOT. WRITE3_DISTR( PLAYNAME( N ), 'LFRAC', WDATE, WTIME,\n & MY_NSRC( N ), DESID_LAYS, LFRAC ) ) THEN\n XMSG = 'Error writing \"LFRAC\" to file \"' //\n & PLAYNAME( N )( 1:LEN_TRIM( PLAYNAME( N ) ) ) // '.\"'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n IF ( .NOT. WRITE3_DISTR( PLAYNAME( N ), 'ZPLUME', WDATE, WTIME,\n & MY_NSRC( N ), DESID_LAYS, ZPLUM ) ) THEN\n XMSG = 'Error writing \"ZPLUM\" to file \"' //\n & PLAYNAME( N )( 1:LEN_TRIM( PLAYNAME( N ) ) ) // '.\"'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n WRITE( LOGDEV,94030 )\n & 'Timestep written to', TRIM( PLAYNAME( N ) ),\n & 'for date and time', WDATE, WTIME\n END IF\n\n IF ( PT3DFRAC ) THEN\n DEALLOCATE( LFRAC )\n DEALLOCATE( ZPLUM )\n END IF\n\n\nC Write Out Diagnostic Info \n IF ( PT3DDIAG ) THEN ! store 3d point source emissions\n NTICS = NTICS + 1\n VDEMIS_BUF = VDEMIS_BUF + VDEMIS_PT ! array assignmnt\n IF ( WRTIME ) THEN\n DIVFAC = 1.0 / FLOAT( NTICS )\n WRITE( LOGDEV,94030 )\n & 'Timestep written to', CTM_PT3D_DIAG,\n & 'for date and time', WDATE, WTIME\n VDEMIS_BUF = 0.0 ! array\n NTICS = 0\n END IF\n END IF\n\n RETURN\n\nC------------------ FORMAT STATEMENTS ------------------------------\n\n93000 FORMAT( A / 1X, 'source', 3X, 'ht', 3X, 'lpbl', 1X, 'lbot', 1X, 'ltop',\n & 3X, 'vel', 4X, 'windspeed', 2X, 'StkTemp', 3X, 'AmbTemp' )\n\n93040 FORMAT( 'Sources with top of plume greater than layer', I3, //,\n & 'Src ID, ', A, ', H[m], ', 'V[m/s], ', 'Ts[K], ',\n & 'Ta[K], ', 'U[m/s], ', 'LPBL, ', 'LTOP' )\n\n93042 FORMAT( '( I6, \",\", I6.6, \",\", A', I2.2, ', \",\"', I2.2, '(A',\n & I2.2, ',\", \") , F6.1, \", \", F6.2, \", \", F6.1, \", \",',\n & 'F5.1, \", \", F6.2, \", \", I3, \", \", I3 )' )\n\n93044 FORMAT( I6, \",\", I6.6, F6.1, \", \", F6.2, \", \", F6.1, \", \",\n & F5.1, \", \", F6.2, \", \", I3, \", \", I3 )\n\n\n94030 FORMAT( /5X, 3( A, :, 1X ), I8, \":\", I6.6 )\n\n END SUBROUTINE GET_PT3D_EMIS\n\nC-------------- Subprograms used by GET_PT3D_EMIS ----------------------\n\nC=======================================================================\n\n SUBROUTINE CALC_PLUME_HEIGHT( LOC_STKDATE, JDATE, JTIME, WRTIME, N )\n\n! Revision History.\n! Aug 18, 17 B.Murphy: Separated plume height calculation from the\n! point source allocation algorithm\n\nC-----------------------------------------------------------------------\n\n USE VGRD_DEFN, ONLY : VGTOP_GD\n USE STK_EMIS, ONLY : FIREVAR, FIREFLAG\n#ifdef mpas\n USE STK_PRMS, ONLY : MY_STRT_SRC, MY_END_SRC, MY_NSRC, SOURCE, my_nsrc_pressure, my_nsrc_mesh_index\n#else\n USE STK_PRMS, ONLY : MY_STRT_SRC, MY_END_SRC, MY_NSRC, SOURCE\n#endif\n USE PTMET, ONLY : DESID_LAYS, P_D => PTMET_DATA\n USE RUNTIME_VARS, ONLY : LOGDEV, IPVERT, PT3DFRAC, REP_LAYR, LOG_MESSAGE\n USE UTILIO_DEFN\n USE CENTRALIZED_IO_MODULE, only : interpolate_var\n#ifdef mpas\n USE coupler_module\n USE util_module, only : crlf\n#endif\n\n IMPLICIT NONE\n\nC Includes:\n INCLUDE SUBST_CONST ! physical and mathematical constants\n\n INTEGER, INTENT( IN ) :: LOC_STKDATE\n INTEGER, INTENT( IN ) :: JDATE, JTIME\n \n LOGICAL, INTENT( IN ) :: WRTIME\n INTEGER, INTENT( IN ) :: N ! Point Source File Number\n\n#ifdef mpas\n INTEGER, PARAMETER :: DEG = 3\n#endif\n\n CHARACTER( 16 ) :: PNAME = 'CALC_PLUME_HEIGHT' ! procedure name\n CHARACTER( 16 ) :: VNAME \n CHARACTER( 8 ) :: CINT ! integer to character buffer for warning messages\n\n REAL, PARAMETER :: USTARMIN = 0.1 ! Min valid value for USTAR\n REAL, PARAMETER :: CONVPA = 1.0E-2 ! convert Pa to mb\n REAL, PARAMETER :: BTU2M4PS3 = 9.2752E-03 ! convert BTU/s to m**4/s**3\n REAL, PARAMETER :: BFACPHR = BTU2M4PS3 / 3600.0 ! m**4/s**3 per hour\n ! assumes heat flux from fire pt src file is in BTU/hr\n REAL PSFC ! surface pressure [Pa]\n REAL USTMP ! temp storage for ustar [m/s]\n REAL HFLX ! converted heat flux\n REAL ZBOT ! plume bottom elevation [m]\n REAL ZTOP ! plume top elevation [m]\n REAL ZPLM ! plume centerline height above stack [m]\n REAL ZDIFF ! ZTOP - ZBOT\n REAL DDZ ! 1 / ZDIFF\n REAL TSTK ! temperature at top of stack [K]\n REAL WSTK ! wind speed at top of stack [m/s]\n REAL MV ! mininum LFRAC \n REAL BESIZE ! effective size of the fire buoyant core\n REAL SFRACT ! smoldering fraction size (1-BESIZE)\n \n INTEGER LBOT ! layer containing plume bottom\n INTEGER LPBL ! first L: ZF(L) above mixing layer - ONLY for REPORT\n INTEGER LSTK ! first L: ZF(L) > STKHT\n\n INTEGER :: S, L, SRC, M, STAT\n INTEGER :: LTOP, LACRESBURNED\n REAL :: DELZ, DELFH\n REAL, ALLOCATABLE, SAVE :: TV( : ) ! Virtual temperature\n REAL, ALLOCATABLE, SAVE :: TF( : ) ! Full-layer height temperatures\n real, allocatable :: tdata(:)\n LOGICAL :: DETERMINED\n REAL :: THV1\n REAL :: THVK\n\n INTERFACE\n SUBROUTINE PREPLM( FIREFLG, DESID_LAYS, HMIX, HTS, PSFC, TS, DDZF, QV,\n & TA, UW, VW, ZH, ZF, PRES, LSTK, LPBL, TSTK,\n & WSTK, DTHDZ, WSPD )\n LOGICAL, INTENT( IN ) :: FIREFLG\n INTEGER, INTENT( IN ) :: DESID_LAYS\n REAL, INTENT( IN ) :: HMIX\n REAL, INTENT( IN ) :: HTS\n REAL, INTENT( IN ) :: PSFC\n REAL, INTENT( IN ) :: TS\n REAL, INTENT( IN ) :: DDZF( : )\n REAL, INTENT( IN ) :: QV ( : )\n REAL, INTENT( IN ) :: TA ( : )\n REAL, INTENT( IN ) :: UW ( : )\n REAL, INTENT( IN ) :: VW ( : )\n REAL, INTENT( IN ) :: ZH ( : )\n REAL, INTENT( IN ) :: ZF ( : )\n REAL, INTENT( IN ) :: PRES( 0: )\n INTEGER, INTENT( OUT ) :: LSTK\n INTEGER, INTENT( OUT ) :: LPBL\n REAL, INTENT( OUT ) :: TSTK\n REAL, INTENT( OUT ) :: WSTK\n REAL, INTENT( OUT ) :: DTHDZ( : )\n REAL, INTENT( OUT ) :: WSPD ( : )\n END SUBROUTINE PREPLM\n\n SUBROUTINE PLMRIS( DESID_LAYS, LSTK, HFX, HMIX,\n & STKDM, STKHT, STKTK, STKVE,\n & TSTK, USTAR, DTHDZ, TA, WSPD,\n & ZF, ZH, ZSTK, WSTK, ZPLM )\n INTEGER, INTENT( IN ) :: DESID_LAYS\n INTEGER, INTENT( IN ) :: LSTK\n REAL, INTENT( IN ) :: HFX\n REAL, INTENT( IN ) :: HMIX\n REAL, INTENT( IN ) :: STKDM\n REAL, INTENT( IN ) :: STKHT\n REAL, INTENT( IN ) :: STKTK\n REAL, INTENT( IN ) :: STKVE\n REAL, INTENT( IN ) :: TSTK\n REAL, INTENT( IN ) :: USTAR\n REAL, INTENT( IN ) :: DTHDZ( : )\n REAL, INTENT( IN ) :: TA ( : )\n REAL, INTENT( IN ) :: WSPD ( : )\n REAL, INTENT( IN ) :: ZF ( 0: )\n REAL, INTENT( IN ) :: ZH ( : )\n REAL, INTENT( IN ) :: ZSTK ( : )\n REAL, INTENT( INOUT ) :: WSTK\n REAL, INTENT( OUT ) :: ZPLM \n END SUBROUTINE PLMRIS\n\n SUBROUTINE FIRE_PLMRIS( DESID_LAYS, LSTK, HFX, HMIX,\n & BFLX, TSTK, USTAR, DTHDZ,\n & TA, WSPD, ZF, WSTK, ZPLM )\n INTEGER, INTENT( IN ) :: DESID_LAYS\n INTEGER, INTENT( IN ) :: LSTK\n REAL, INTENT( IN ) :: HFX\n REAL, INTENT( IN ) :: HMIX\n REAL, INTENT( IN ) :: BFLX\n REAL, INTENT( IN ) :: TSTK\n REAL, INTENT( IN ) :: USTAR\n REAL, INTENT( IN ) :: DTHDZ( : )\n REAL, INTENT( IN ) :: TA ( : )\n REAL, INTENT( IN ) :: WSPD ( : )\n REAL, INTENT( IN ) :: ZF ( 0: )\n REAL, INTENT( INOUT):: WSTK\n REAL, INTENT( OUT ) :: ZPLM\n END SUBROUTINE FIRE_PLMRIS\n\n SUBROUTINE PLSPRD( DTHDZ, ZF, KZ, CEFSTK, PLTOP, PLBOT )\n REAL, INTENT ( IN ) :: DTHDZ( : )\n REAL, INTENT ( IN ) :: ZF( 0: )\n INTEGER, INTENT ( IN ) :: KZ\n REAL, INTENT ( IN ) :: CEFSTK\n REAL, INTENT( OUT ) :: PLTOP\n REAL, INTENT( OUT ) :: PLBOT\n END SUBROUTINE PLSPRD\n END INTERFACE\n \n#ifdef mpas\n IF (.NOT. ALLOCATED(TV)) THEN\n ALLOCATE (TV(DESID_LAYS),\n & TF(DESID_LAYS),\n & STAT=STAT)\n END IF\n#endif\n\n ! If The Point File is for Fires, read and save the H-Flux Data in a\n ! Dedicated Variable, BFLUX\n LACRESBURNED = 0\n IF ( FIREFLAG( N ) ) THEN\n#ifdef mpas\n allocate (tdata(MY_NSRC( N )), stat=stat)\n call interpolate_var (STKENAME(N), 'HFLUX', LOC_STKDATE, JTIME, tdata)\n\n DO S = 1, MY_NSRC( N )\n FIREVAR(N)%ARRY(S) = tdata(s)\n END DO\n deallocate (tdata)\n#else\n call interpolate_var (STKENAME(N), 'HFLUX', LOC_STKDATE, JTIME, FIREVAR(N)%ARRY)\n#endif\n\n DO S = 1, MY_NSRC( N )\n#ifdef mpas\n SRC = S\n#else\n SRC = SOURCE( N )%ARRY( S )\n#endif\n BFLUX( N )%ARRY( S ) = FIREVAR( N )%ARRY( SRC ) * BTU2M4PS3\n END DO\n\n !Initialize negative ACRES-BURNED counter\n END IF\n \nC Loop through sources and compute plume rise\n DO S = 1, MY_NSRC( N )\n\n IF ( FIREFLAG( N ) ) THEN\n IF ( BFLUX( N )%ARRY( S ) .LE. 0.0 ) THEN\n TFRAC( 1,S ) = 1.0\n TFRAC( 2:DESID_LAYS,S ) = 0.0\n LTOP = 1\n GO TO 201\n END IF\n END IF\n\n P_D( N )%ZZF( 0 ) = 0.0\n P_D( N )%ZZF( 1:DESID_LAYS ) = P_D( N )%ZF( 1:DESID_LAYS,S ) ! array of layers\n\nC Get pressures: Use SIGMA values and surface pres. p=sigma*(psfc-ptop)+ptop\n#ifdef mpas\n PSFC = my_nsrc_pressure(1,s,n)\n\n P_D( N )%PRESF( 0 ) = 0.0\n P_D( N )%PRESF( 1:DESID_LAYS ) = my_nsrc_pressure(1:DESID_LAYS,s,n)\n\n IF ( FIREFLAG( N ) ) THEN\n LSTK = 1\n ELSE\n P_D( N )%ZSTK( :,S ) = P_D( N )%ZF( :,S ) - STK_HT( N )%ARRY(S)\n L = 1\n DETERMINED = .FALSE.\n DO WHILE ((.NOT. DETERMINED) .AND. (L .LE. DESID_LAYS))\n IF ( P_D( N )%ZF( L,S ) .GT. STK_HT( N )%ARRY( S )) THEN\n LSTK = L\n DETERMINED = .TRUE.\n ELSE\n L = L + 1\n END IF\n END DO\n END IF\n\n P_D( N )%WSPD = g3ddata(my_nsrc_mesh_index(s, n),1,:,wspd_ind)\n\n P_D( N )%DDZF( 1,S ) = 1.0 / P_D( N )%ZF( 1,S )\n DO L = 2, DESID_LAYS\n P_D( N )%DDZF( L,S ) = 1.0 / ( P_D( N )%ZF( L,S ) - P_D( N )%ZF( L-1,S ) )\n END DO\n\n IF ( FIREFLAG( N ) ) THEN\n TSTK = g2ddata(my_nsrc_mesh_index(s, n),1,temp2_ind)\n WSTK = P_D( N )%WSPD (1)\n ELSE\n m = MAX( 1, LSTK - DEG - 1 )\n TSTK = g3ddata(my_nsrc_mesh_index(s, n),1,m,temp_ind)\n WSTK = P_D( N )%WSPD (m)\n END IF\n\n DO L = 1, DESID_LAYS\n TV( L ) = P_D( N )%TA( L,S ) * ( 1.0 + 0.622 *\n & ( g3ddata(my_nsrc_mesh_index(s, n),1,L,qv_ind)\n & / ( 1.0 + g3ddata(my_nsrc_mesh_index(s, n),1,L,qv_ind) ) ) )\n END DO\n\n DO L = 1, DESID_LAYS - 1\n DELZ = g3ddata(my_nsrc_mesh_index(s, n),1,L+1,zh_ind) - g3ddata(my_nsrc_mesh_index(s, n),1,L,zh_ind)\n DELFH = g3ddata(my_nsrc_mesh_index(s, n),1,L,zf_ind) - g3ddata(my_nsrc_mesh_index(s, n),1,L,zh_ind)\n TF( L ) = TV( L ) + ( TV( L+1 ) - TV( L ) ) * DELFH / DELZ\n END DO\n L = DESID_LAYS\n DELZ = g3ddata(my_nsrc_mesh_index(s, n),1,L,zh_ind) - g3ddata(my_nsrc_mesh_index(s, n),1,L-1,zh_ind)\n DELFH = g3ddata(my_nsrc_mesh_index(s, n),1,L,zf_ind) - g3ddata(my_nsrc_mesh_index(s, n),1,L,zh_ind)\n TF( L ) = TV( L ) + ( TV( L ) - TV( L-1 ) ) * DELFH / DELZ\n\n THV1 = TF( 1 ) * ( 1000.0 / P_D( N )%PRESF( 1 ) ) ** 0.286\n DO L = 2, DESID_LAYS\n THVK = TF( L ) * ( 1000.0 / P_D( N )%PRESF( L ) ) ** 0.286\n P_D( N )%DTHDZ( L ) = P_D( N )%DDZF( L,S ) * ( THVK - THV1 )\n THV1 = THVK\n END DO\n P_D( N )%DTHDZ( 1 ) = P_D( N )%DTHDZ( 2 )\n\n#else\n\n PSFC = P_D( N )%PRSFC( S )\n DO L = 0, DESID_LAYS\n P_D( N )%PRESF( L ) = ( VGLVSXG( L ) * ( PSFC - VGTOP_GD )\n & + VGTOP_GD ) * CONVPA\n END DO\n\nC Set surface pressure (convert to mb from Pa)\n PSFC = CONVPA * PSFC\n\nC Compute derived met vars needed before layer assignments\n CALL PREPLM( FIREFLAG( N ), DESID_LAYS,\n & P_D( N )%HMIX( S ), STK_HT( N )%ARRY( S ), PSFC,\n & P_D( N )%TSFC( S ), P_D( N )%DDZF( :,S ),\n & P_D( N )%QV( :,S ), P_D( N )%TA( :,S ),\n & P_D( N )%UWIND( :,S ), P_D( N )%VWIND( :,S ),\n & P_D( N )%ZH( :,S ), P_D( N )%ZF( :,S ),\n & P_D( N )%PRESF, LSTK, LPBL, TSTK, WSTK,\n & P_D( N )%DTHDZ, P_D( N )%WSPD )\n#endif\n\nC Trap USTAR at a minimum realistic value\n USTMP = MAX( P_D( N )%USTAR( S ), USTARMIN )\n\nC Convert heat flux (watts/m2 to m K /s )\n HFLX = P_D( N )%HFX( S ) / ( CPD * P_D( N )%DENS( 1,S ) )\n\n IF ( .NOT. FIREFLAG( N ) ) THEN\n CALL PLMRIS( DESID_LAYS, LSTK, HFLX, P_D( N )%HMIX( S ),\n & STK_DM( N )%ARRY( S ), STK_HT( N )%ARRY( S ),\n & STK_TK( N )%ARRY( S ), STK_VEL( N )%ARRY( S ),\n & TSTK, USTMP,\n & P_D( N )%DTHDZ, P_D( N )%TA( :,S ),\n & P_D( N )%WSPD, P_D( N )%ZZF,\n & P_D( N )%ZH( :,S ), P_D( N )%ZSTK( :,S ),\n & WSTK, ZPLM )\n ELSE\n CALL FIRE_PLMRIS( DESID_LAYS, LSTK, HFLX, P_D( N )%HMIX( S ),\n & BFLUX( N )%ARRY( S ),\n & TSTK, USTMP,\n & P_D( N )%DTHDZ, P_D( N )%TA( :,S ),\n & P_D( N )%WSPD, P_D( N )%ZZF,\n & WSTK, ZPLM )\n END IF\n\n#ifdef Verbose1\n if ( zplm .gt. mxzplm ) mxzplm = zplm\n#endif\n\nC Determine the bottom and top heights of the plume.\n IF ( IPVERT .EQ. 0 ) THEN\nC Default Turner approach. Plume thickness = amount of plume rise\nC Plume rise DH = ZPLM minus the stack height STKHT\n IF ( FIREFLAG( N ) ) THEN\n ZTOP = 1.5 * ZPLM \n ZBOT = 0.5 * ZPLM\n ELSE\n ZTOP = STK_HT( N )%ARRY( S )\n & + 1.5 * ( ZPLM - STK_HT( N )%ARRY( S ) )\n ZBOT = STK_HT( N )%ARRY( S )\n & + 0.5 * ( ZPLM - STK_HT( N )%ARRY( S ) )\n END IF\n ELSE\nC Alternative method to compute plume top/bot heights\n CALL PLSPRD( P_D( N )%DTHDZ, P_D( N )%ZZF, DESID_LAYS,\n & ZPLM, ZTOP, ZBOT )\n END IF\n\nC Set up for computing plume fractions, assuming uniform distribution in pressure\nC (~mass concentration -- minor hydrostatic assumption) from bottom to top.\n\n IF ( ZTOP .LT. STK_HT( N )%ARRY( S ) ) THEN\n WRITE( CINT,'( I8 )' ) S\n WRITE( XMSG,94010 ) 'ERROR: Top of plume is less than '\n & // 'top of stack for source:' // CINT\n CALL M3MESG( XMSG )\n WRITE( LOGDEV,* ) ' Zbot: ', ZBOT, ' Ztop: ', ZTOP\n WRITE( LOGDEV,* ) ' Stack Top: ', STK_HT( N )%ARRY( S ),\n & ' Plume Top: ', ZPLM\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n\nC Allocate plume to layers (compute layer plume fractions)\n\n! CALL POSTPLM( DESID_LAYS, ZBOT, ZTOP, PRESF, ZZF, TA( 1,S ), ZH( 1,S ),\n! & LTOP, TFRAC )\n\nC Compute LBOT, LTOP such that\nC ZZF( LBOT-1 ) <= ZBOT < ZZF( LBOT ) and\nC ZZF( LTOP-1 ) <= ZTOP < ZZF( LTOP )\n\n DO L = 1, DESID_LAYS - 1\n IF ( ZBOT .LE. P_D( N )%ZZF( L ) ) THEN\n LBOT = L\n GO TO 122\n ELSE\n TFRAC( L,S ) = 0.0 ! fractions below plume\n END IF\n END DO\n LBOT = DESID_LAYS ! fallback\n\n122 CONTINUE ! loop exit: bottom found at LBOT\n\n IF ( ZTOP .LE. P_D( N )%ZZF( LBOT ) ) THEN ! plume in this layer\n\n TFRAC( LBOT,S ) = 1.0\n LTOP = LBOT\n\n DO L = LBOT + 1, DESID_LAYS ! fractions above plume\n TFRAC( L,S ) = 0.0\n END DO\n\n ELSE IF ( LBOT .EQ. DESID_LAYS ) THEN ! plume above top layer\n\n TFRAC( LBOT,S ) = 1.0\n\n DO L = 1, DESID_LAYS - 1 ! fractions below plume\n TFRAC( L,S ) = 0.0\n END DO\n\n ELSE ! plume crosses layers\n\n DO L = LBOT + 1, DESID_LAYS\n IF ( ZTOP .LE. P_D( N )%ZZF( L ) ) THEN\n LTOP = L\n GO TO 126\n END IF\n END DO\n LTOP = DESID_LAYS ! fallback\n\n126 CONTINUE\n\n ZDIFF = ZTOP - ZBOT\n IF ( ZDIFF .GT. 0.0 ) THEN\n\n DDZ = 1.0 / ZDIFF\n TFRAC( LBOT,S ) = DDZ * ( P_D( N )%ZZF( LBOT ) - ZBOT )\n TFRAC( LTOP,S ) = DDZ * ( ZTOP - P_D( N )%ZZF( LTOP-1 ) )\n\n ELSE ! ZDIFF .le. 0\n\n WRITE( CINT,'( I8 )' ) S\n WRITE( XMSG,94020 )\n & 'Infinitely small plume created for source:,'\n & // CINT // CRLF() // BLANK10\n & // 'All emissions put in first layer.'\n CALL M3WARN( PNAME, JDATE, JTIME, XMSG )\n LBOT = 1; LTOP = 1\n TFRAC( LBOT,S ) = 1.0\n\n END IF\n\n DO L = LBOT + 1, LTOP - 1 ! layers in plume\n TFRAC( L,S ) = DDZ * ( P_D( N )%ZZF( L ) - P_D( N )%ZZF( L-1 ) )\n END DO\n\n DO L = LTOP + 1, DESID_LAYS ! fractions above plume\n TFRAC( L,S ) = 0.0\n END DO\n\n END IF\n\nC If layer fractions are negative, put in the first layer\n MV = MINVAL( TFRAC( 1:DESID_LAYS,S ) )\n IF ( MV .LT. 0.0 ) THEN\n\n WRITE( CINT,'( I8 )' ) S\n WRITE( XMSG,94010 ) 'WARNING: One or more negative plume '\n & // 'fractions found for source:' // CINT\n & // CRLF() // BLANK10 // 'Plume reset to '\n & // 'put all emissions in surface layer.'\n CALL M3MESG( XMSG )\n\n TFRAC( 1,S ) = 1.0\n TFRAC( 2:DESID_LAYS,S ) = 0.0\n\n END IF\n\n IF ( FIREFLAG( N ) ) THEN\nC If source is a fire, adjust for fire smoldering effects (include fractions below LBOT)\nC calculate smoldering fraction:\n\n IF ( ACRES( N )%ARRY ( S ) .GT. 0.0 ) THEN\n BESIZE = 0.0703 * LOG( ACRES( N )%ARRY( S ) ) + 0.3\n BESIZE = MIN( BESIZE, 1.0 )\n SFRACT = 1.0 - BESIZE\n ELSE\n SFRACT = 1.0\n LACRESBURNED = LACRESBURNED + 1\n END IF\n\n ZDIFF = ZBOT - P_D( N )%ZZF( 0 ) ! Note: ZDIFF redefined\n IF ( ZDIFF .GT. 0.0 ) THEN\n DDZ = 1.0 / ZDIFF\n DO L = 1, LBOT - 1\n TFRAC( L,S ) = DDZ * ( P_D( N )%ZZF( L ) - P_D( N )%ZZF( L-1 ) )\n & * SFRACT\n END DO\n TFRAC( LBOT,S ) = TFRAC( LBOT,S )\n & + ( DDZ * ( ZBOT - P_D( N )%ZZF( LBOT-1 ) )\n & - TFRAC( LBOT,S ) ) * SFRACT\n ELSE ! LBOT = 1\n! TFRAC( 1:LBOT-1 ) = 0.0\n TFRAC( LBOT,S ) = TFRAC( LBOT,S ) * ( 1.0 - SFRACT )\n END IF\n\n DO L = LBOT + 1, LTOP\n TFRAC( L,S ) = TFRAC( L,S ) * ( 1.0 - SFRACT )\n END DO\n\n END IF\n\n201 CONTINUE\n \n IF ( PT3DFRAC ) THEN ! Store layer fractions\n LFRAC( S,1:DESID_LAYS ) = TFRAC( 1:DESID_LAYS,S ) ! array\n ZPLUM( S,1 ) = ZPLM\n END IF\n\n#ifndef mpas\nC Possible report to REPRTLAY\n IF ( LTOP .GE. REP_LAYR .AND. RDEV( N ) .GT. 0 .AND. WRTIME ) THEN\n WRITE( RDEV( N ),93048 ) S, STK_HT( N )%ARRY( S ), LPBL,\n & LBOT, LTOP, STK_VEL( N )%ARRY( S ), WSTK,\n & STK_TK( N )%ARRY( S ), TSTK\n END IF\n#endif\n\n END DO ! end loop on sources S\n\n ! Print warning if any ACRES-BURNED values were negative\n IF ( LACRESBURNED .GT. 0 ) THEN\n write( XMSG,'(A,I8,A,I8,A)') \"Warning: the value of ACRESBURNED for \",LACRESBURNED, \" fire sources on stream \",\n & N, \" is negative. CMAQ will set the smodlering fraction equal to 1.0 for these cases.\" \n call log_message( logdev, xmsg )\n END IF\n \n94010 FORMAT( 12( A, :, I8, :, 1X ) )\n94020 FORMAT( 10( A, :, I7, :, 1X ) )\n93048 FORMAT( I6, F8.2, 3I4, 4F10.2 )\n\n\n END SUBROUTINE CALC_PLUME_HEIGHT\n\nC-----------------------------------------------------------------------\n\n#ifndef mpas\n SUBROUTINE RETRIEVE_IOAPI_HEADER( FNAME, JDATE, JTIME )\n\n\n USE UTILIO_DEFN, ONLY : DESC3, XSTAT2\n\n IMPLICIT NONE\n\n CHARACTER( * ) :: FNAME\n INTEGER :: JDATE, JTIME\n\n CHARACTER( 16 ) :: PNAME = 'RETRVE_IOAPI_HDR' ! procedure name\n CHARACTER( 120 ) :: XMSG = ' '\n\n IF ( .NOT. DESC3( FNAME ) ) THEN\n XMSG = 'Could not get description of file \"' //\n & FNAME( 1:LEN_TRIM( FNAME ) ) // '\"'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n\n RETURN\n\n END SUBROUTINE RETRIEVE_IOAPI_HEADER\n#endif\n\nC-----------------------------------------------------------------------\n\n END MODULE PT3D_DEFN\n\n" }, { "path": "CCTM/src/emis/emis/PTBILIN.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n MODULE PTBILIN\n\nC-----------------------------------------------------------------------\nC Function: 3d point source bi-linear interpolation data\n\nC Revision History:\nC 20 Nov 2007 J.Young: initial implementation\nC 13 Apr 2010 D. Wong: parallel bug fix - in subroutine ungridb2\nC calculations use the lower left corner of the\nC original domain\nC 27 Jul 2011 David Wong: - fixed the description of XBND\nC 12 Aug 2015 David Wong: - Based on the condition of MY_NSRC ( > 0 )\nC to determine execution of code section\nC 1 Feb 19 David Wong: removed all MY_N clauses\nC 5 Aub 19 David Wong: removed BILIN_DATA\nC-----------------------------------------------------------------------\n USE RUNTIME_VARS\n\n IMPLICIT NONE\n\nC Arrays which record .true. if local processor contains an exterior boundary\n REAL( 8 ) :: METCXORIG ! cross point grid X-coord origin of met grid\n REAL( 8 ) :: METCYORIG ! cross point grid Y-coord origin of met grid\n REAL( 8 ) :: XCELLCG ! cross point grid X-coordinate cell dimension\n REAL( 8 ) :: YCELLCG ! cross point grid Y-coordinate cell dimension\n REAL( 8 ) :: METDXORIG ! dot point grid X-coord origin of met grid\n REAL( 8 ) :: METDYORIG ! dot point grid Y-coord origin of met grid\n REAL( 8 ) :: XCELLDG ! dot point grid X-coordinate cell dimension\n REAL( 8 ) :: YCELLDG ! dot point grid Y-coordinate cell dimension\n REAL( 8 ) :: MY_CXORIG ! local processor cross point X-coord origin\n REAL( 8 ) :: MY_CYORIG ! local processor cross point Y-coord origin\n REAL( 8 ) :: MY_DXORIG ! local processor dot point X-coord origin\n REAL( 8 ) :: MY_DYORIG ! local processor dot point Y-coord origin\n\nC Allocatable cross- OR dot-point meteorology input buffers\n\n END MODULE PTBILIN\n" }, { "path": "CCTM/src/emis/emis/PTMET.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n MODULE PTMET\n\nC-----------------------------------------------------------------------\nC Function: 3d point source emissions met data\n\nC Revision History:\nC 20 Nov 2007 J.Young: initial implementation\nC 16 Feb 2011 S.Roselle: replaced I/O API include files with UTILIO_DEFN\nC 27 Jul 2011 D.Wong: removed calculation which extends SRTCOL and STRTROW\nC to the west and south direction in subroutines: \nC READMC2, READMC3, and READMD3\nC 12 Aug 2015 D.Wong: - Used assumed shape array declaration and declared \nC associated subroutines in INTERFACE block\nC - Replaced BMATVEC with BMATVECN which will call\nC with a 1d or 2d argument subroutine by F90 \nC poly-morphism feature\nC - Based on the condition of MY_NSRC ( > 0 or not) to \nC determine execution of certain section of code or not\nC - fixed a bug of incorrect assignment:\nC PTMET_DATA%LEN1 = DESID_LAYS, PTMET_DATA%LEN2 = MSRC\nC 01 Feb 2019 D.Wong: - Implemented centralized I/O approach and removed \nC ZSTATIC implementation\nC 05 Aug 2019 D.Wong: - Used met information in the cell where a point source resides\nC rather than using bi-linear interpolation (call BMATVECN) to\nC obtain met information for that point source\nC 06 Aug 2019 D.Wong: - For two-way model, use UWIND/VWIND (wind U/V component on the\nC mass point and in offline CMAQ model, use average value of\nC UWINDC/VWINDC to approximate UWIND/VWIND. Hence no longer\nC need UWINDC_AVAIL/VWINDC_AVAIL\nC-----------------------------------------------------------------------\n USE RUNTIME_VARS\n USE UDTYPES, ONLY: PTMET_TYPE\n USE DESID_VARS, ONLY : DESID_LAYS\n\n IMPLICIT NONE\n\nc TYPE :: PTMET_TYPE\nc INTEGER :: LEN1, LEN2\nC Allocatable per-source meteorology variables\nc REAL, POINTER :: HFX( : ) ! sensible heat flux [watts/m**2]\nc REAL, POINTER :: HMIX( : ) ! mixing height [m]\nc REAL, POINTER :: TSFC( : ) ! surface temperature [degK]\nc REAL, POINTER :: USTAR( : ) ! friction velocity [m/s]\nc REAL, POINTER :: PRSFC( : ) ! surface pressure [Pa]\nC Allocatable temporary per-layer variables from 1:DESID_LAYS\nc REAL, POINTER :: WSPD( : ) ! wind speed [m/s]\nc REAL, POINTER :: DTHDZ( : ) ! virtual pot temp gradient [degK/m]\nC Allocatable temporary per-layer variables from 0:DESID_LAYS\nc REAL, POINTER :: PRESF( : ) ! pressure at full-levels\nc REAL, POINTER :: ZZF( : ) ! per src elevn at full-levels\nc Allocatable per-source and per layer meteorology variables.\nC Dimensioned by layers, then sources\nc! REAL, POINTER :: DDZH ( :,: ) ! 1/( ZH(L) - ZH(L-1) )\nc REAL, POINTER :: DDZF ( :,: ) ! 1/( ZF(L) - ZF(L-1) )\nc REAL, POINTER :: PRES ( :,: ) ! pressure [Pa]\nc REAL, POINTER :: DENS ( :,: ) ! air density [kg/m**3]\nc REAL, POINTER :: QV ( :,: ) ! moisture mixing ratio [kg/kg]\nc REAL, POINTER :: TA ( :,: ) ! temperature [degK]\nc REAL, POINTER :: UWIND( :,: ) ! x-component wind speed [m/s]\nc REAL, POINTER :: VWIND( :,: ) ! y-component wind speed [m/s]\nc REAL, POINTER :: ZF ( :,: ) ! full layer height [m]\nc REAL, POINTER :: ZH ( :,: ) ! mid layer height [m]\nc REAL, POINTER :: ZSTK ( :,: ) ! ZF( L,S ) - STKHT(S) [m]\nc END TYPE PTMET_TYPE\n\n TYPE( PTMET_TYPE ), ALLOCATABLE, SAVE :: PTMET_DATA( : )\n\nC cross-point surface met file name\n CHARACTER( 16 ), SAVE :: MC2NAME\nC cross-point layered met file name\n CHARACTER( 16 ), SAVE :: MC3NAME\nC dot-point layered met file name\n CHARACTER( 16 ), SAVE :: MD3NAME\n\nC-----------------------------------------------------------------------\n CONTAINS\n\n FUNCTION PTMET_INIT ( ) RESULT ( SUCCESS )\n\n USE UTILIO_DEFN\n USE STK_PRMS, ONLY: MY_NSRC \n\n IMPLICIT NONE\n\n LOGICAL :: SUCCESS \n\n INTEGER N, MSRC, IOS\n CHARACTER( 16 ) :: PNAME = 'PTMET_INIT' ! procedure name\n\n SUCCESS = .TRUE.\n ALLOCATE( PTMET_DATA( NPTGRPS ), STAT=IOS )\n CALL CHECKMEM( IOS, 'PTMET_DATA', PNAME )\n\n DO N = 1, NPTGRPS\n\n MSRC = MY_NSRC( N )\n PTMET_DATA(N)%LEN1 = DESID_LAYS; PTMET_DATA(N)%LEN2 = MSRC\n\n IF ( MY_NSRC( N ) .GT. 0 ) THEN\nC Allocate per-source arrays\n ALLOCATE( PTMET_DATA( N )%HFX ( MSRC ), STAT=IOS )\n CALL CHECKMEM( IOS, 'HFX', PNAME )\n ALLOCATE( PTMET_DATA( N )%HMIX ( MSRC ), STAT=IOS )\n CALL CHECKMEM( IOS, 'HMIX', PNAME )\n ALLOCATE( PTMET_DATA( N )%TSFC ( MSRC ), STAT=IOS )\n CALL CHECKMEM( IOS, 'TSFC', PNAME )\n ALLOCATE( PTMET_DATA( N )%USTAR( MSRC ), STAT=IOS )\n CALL CHECKMEM( IOS, 'USTAR', PNAME )\n ALLOCATE( PTMET_DATA( N )%PRSFC( MSRC ), STAT=IOS )\n CALL CHECKMEM( IOS, 'PRSFC', PNAME )\n\nC Allocate per-source and per-layer arrays\n ALLOCATE( PTMET_DATA( N )%DDZF ( DESID_LAYS,MSRC ), STAT=IOS )\n CALL CHECKMEM( IOS, 'DDZF', PNAME )\n ALLOCATE( PTMET_DATA( N )%PRES ( DESID_LAYS,MSRC ), STAT=IOS )\n CALL CHECKMEM( IOS, 'PRES', PNAME )\n ALLOCATE( PTMET_DATA( N )%DENS ( DESID_LAYS,MSRC ), STAT=IOS )\n CALL CHECKMEM( IOS, 'DENS', PNAME )\n ALLOCATE( PTMET_DATA( N )%QV ( DESID_LAYS,MSRC ), STAT=IOS )\n CALL CHECKMEM( IOS, 'QV', PNAME )\n ALLOCATE( PTMET_DATA( N )%TA ( DESID_LAYS,MSRC ), STAT=IOS )\n CALL CHECKMEM( IOS, 'TA', PNAME )\n ALLOCATE( PTMET_DATA( N )%UWIND( DESID_LAYS,MSRC ), STAT=IOS )\n CALL CHECKMEM( IOS, 'UWIND', PNAME )\n ALLOCATE( PTMET_DATA( N )%VWIND( DESID_LAYS,MSRC ), STAT=IOS )\n CALL CHECKMEM( IOS, 'VWIND', PNAME )\n ALLOCATE( PTMET_DATA( N )%ZF ( DESID_LAYS,MSRC ), STAT=IOS )\n CALL CHECKMEM( IOS, 'ZF', PNAME )\n ALLOCATE( PTMET_DATA( N )%ZH ( DESID_LAYS,MSRC ), STAT=IOS )\n CALL CHECKMEM( IOS, 'ZH', PNAME )\n ALLOCATE( PTMET_DATA( N )%ZSTK ( DESID_LAYS,MSRC ), STAT=IOS )\n CALL CHECKMEM( IOS, 'ZSTK', PNAME )\n\nC Allocate per-layer arrays from 1:DESID_LAYS\n ALLOCATE( PTMET_DATA( N )%WSPD ( DESID_LAYS ), STAT=IOS )\n CALL CHECKMEM( IOS, 'WSPD', PNAME )\n ALLOCATE( PTMET_DATA( N )%DTHDZ( DESID_LAYS ), STAT=IOS )\n CALL CHECKMEM( IOS, 'DTHDZ', PNAME )\n\nC Allocate per-layer arrays from 0:DESID_LAYS\n ALLOCATE( PTMET_DATA( N )%PRESF( 0:DESID_LAYS ), STAT=IOS )\n CALL CHECKMEM( IOS, 'PRESF', PNAME )\n ALLOCATE( PTMET_DATA( N )%ZZF ( 0:DESID_LAYS ), STAT=IOS )\n CALL CHECKMEM( IOS, 'ZZF', PNAME )\n END IF ! (MY_NSRC( N ) > 0)\n\n END DO\n\n END FUNCTION PTMET_INIT \n\nC-----------------------------------------------------------------------\n#ifdef mpas\n SUBROUTINE PTMET_CONVT_MPAS ( N )\n\n USE STK_PRMS, ONLY: MY_NSRC, SOURCE, my_nsrc_mesh_index\n USE stack_group_data_module, ONLY: STKHT\n USE coupler_module\n\n IMPLICIT NONE\n\n integer, intent(in) :: n\n\n INTEGER S\n\n IF ( MY_NSRC( N ) .GT. 0 ) THEN\n DO S = 1, MY_NSRC( N )\n PTMET_DATA( N )%USTAR( S ) = g2ddata(my_nsrc_mesh_index(s, n),1,ustar_ind)\n PTMET_DATA( N )%HFX( S ) = g2ddata(my_nsrc_mesh_index(s, n),1,hfx_ind)\n PTMET_DATA( N )%HMIX( S ) = g2ddata(my_nsrc_mesh_index(s, n),1,pbl_ind)\n\n PTMET_DATA( N )%TA( :,S ) = g3ddata(my_nsrc_mesh_index(s, n),1,:,temp_ind)\n PTMET_DATA( N )%ZH( :,S ) = g3ddata(my_nsrc_mesh_index(s, n),1,:,zh_ind)\n PTMET_DATA( N )%ZF( :,S ) = g3ddata(my_nsrc_mesh_index(s, n),1,:,zf_ind)\n PTMET_DATA( N )%DENS( :,S ) = g3ddata(my_nsrc_mesh_index(s, n),1,:,dens_ind)\n END DO\n END IF\n\n END SUBROUTINE PTMET_CONVT_MPAS\n\n#else\nC-----------------------------------------------------------------------\n\n SUBROUTINE PTMET_CONVT( JDATE, JTIME, N )\n\n USE STK_PRMS, ONLY: MY_NSRC, SOURCE, MY_STKCOL, MY_STKROW\n USE STACK_GROUP_DATA_MODULE, ONLY: STKHT\n USE CENTRALIZED_IO_MODULE, ONLY : INTERPOLATE_VAR\n USE HGRD_DEFN, ONLY : NCOLS, NROWS\n USE VGRD_DEFN, ONLY : NLAYS\n\n IMPLICIT NONE\n\n INTEGER, INTENT( IN ) :: JDATE, JTIME\n INTEGER, INTENT( IN ) :: N ! Point Source File Number\n\n INTEGER :: L, MSRC, S\n CHARACTER( 16 ) :: PNAME = 'PTMET_CONVT' ! PROCEDURE NAME\n\n INTEGER :: MYC, MYR, STAT\n \n REAL, ALLOCATABLE, SAVE:: LOC_ZH(:,:,:),\n & LOC_ZF(:,:,:),\n & LOC_HFX(:,:),\n & LOC_PBL(:,:),\n & LOC_TEMP2(:,:),\n & LOC_USTAR(:,:),\n & LOC_PRSFC(:,:),\n & LOC_TA(:,:,:),\n & LOC_QV(:,:,:),\n & LOC_PRES(:,:,:),\n & LOC_DENS(:,:,:),\n & LOC_UWIND(:,:,:),\n & LOC_VWIND(:,:,:)\n\n LOGICAL, SAVE :: INITIALIZE = .TRUE.\n \n INTERFACE\n SUBROUTINE DELTA_ZS( DESID_LAYS, MY_NSRC, SRC_MAP, STKHT, ZF, ZSTK, DDZF )\n INTEGER, INTENT( IN ) :: DESID_LAYS, MY_NSRC\n INTEGER, INTENT( IN ) :: SRC_MAP( : )\n REAL, INTENT( IN ) :: STKHT( : )\n REAL, INTENT( IN ) :: ZF ( :,: )\n REAL, INTENT( OUT ) :: ZSTK( :,: )\n REAL, INTENT( OUT ) :: DDZF( :,: )\n END SUBROUTINE DELTA_ZS\n END INTERFACE\n\nC-----------------------------------------------------------------------\n\n IF ( INITIALIZE ) THEN\n \n ALLOCATE ( LOC_ZH(NCOLS,NROWS,NLAYS),\n & LOC_ZF(NCOLS,NROWS,NLAYS),\n & LOC_HFX(NCOLS,NROWS),\n & LOC_PBL(NCOLS,NROWS),\n & LOC_TEMP2(NCOLS,NROWS),\n & LOC_USTAR(NCOLS,NROWS),\n & LOC_PRSFC(NCOLS,NROWS),\n & LOC_TA(NCOLS,NROWS,NLAYS),\n & LOC_QV(NCOLS,NROWS,NLAYS),\n & LOC_PRES(NCOLS,NROWS,NLAYS),\n & LOC_DENS(NCOLS,NROWS,NLAYS),\n & LOC_UWIND(NCOLS+1,NROWS+1,NLAYS),\n & LOC_VWIND(NCOLS+1,NROWS+1,NLAYS),\n & STAT=STAT)\n \n INITIALIZE = .FALSE.\n \n END IF\n\n CALL INTERPOLATE_VAR ('ZH', JDATE, JTIME, LOC_ZH)\n CALL INTERPOLATE_VAR ('ZF', JDATE, JTIME, LOC_ZF)\n CALL INTERPOLATE_VAR ('HFX', JDATE, JTIME, LOC_HFX)\n CALL INTERPOLATE_VAR ('PBL', JDATE, JTIME, LOC_PBL)\n CALL INTERPOLATE_VAR ('TEMP2', JDATE, JTIME, LOC_TEMP2)\n CALL INTERPOLATE_VAR ('USTAR', JDATE, JTIME, LOC_USTAR)\n CALL INTERPOLATE_VAR ('PRSFC', JDATE, JTIME, LOC_PRSFC)\n CALL INTERPOLATE_VAR ('TA', JDATE, JTIME, LOC_TA)\n CALL INTERPOLATE_VAR ('QV', JDATE, JTIME, LOC_QV)\n CALL INTERPOLATE_VAR ('PRES', JDATE, JTIME, LOC_PRES)\n CALL INTERPOLATE_VAR ('DENS', JDATE, JTIME, LOC_DENS)\n#ifdef twoway\n CALL INTERPOLATE_VAR ('UWIND', JDATE, JTIME, LOC_UWIND)\n CALL INTERPOLATE_VAR ('VWIND', JDATE, JTIME, LOC_VWIND)\n#else\n CALL INTERPOLATE_VAR ('UWINDC', JDATE, JTIME, LOC_UWIND)\n CALL INTERPOLATE_VAR ('VWINDC', JDATE, JTIME, LOC_VWIND)\n#endif\n !DO N = 1, NPTGRPS\n\n MSRC = MY_NSRC( N )\n\n DO S = 1, MY_NSRC (N )\n\n MYC = MY_STKCOL( N )%ARRY( S )\n MYR = MY_STKROW( N )%ARRY( S )\n\n PTMET_DATA( N )%HFX(S) = LOC_HFX(MYC, MYR)\n\n PTMET_DATA( N )%HMIX(S) = LOC_PBL(MYC, MYR)\n\n PTMET_DATA( N )%TSFC(S) = LOC_TEMP2(MYC, MYR)\n\n PTMET_DATA( N )%USTAR(S) = LOC_USTAR(MYC, MYR)\n\n PTMET_DATA( N )%PRSFC(S) = LOC_PRSFC(MYC, MYR)\n\n DO L = 1, NLAYS\n \n PTMET_DATA( N )%ZH(L,S) = LOC_ZH(MYC, MYR, L)\n \n PTMET_DATA( N )%ZF(L,S) = LOC_ZF(MYC, MYR, L)\n \n PTMET_DATA( N )%TA(L,S) = LOC_TA(MYC, MYR, L)\n \n PTMET_DATA( N )%QV(L,S) = LOC_QV(MYC, MYR, L)\n \n PTMET_DATA( N )%PRES(L,S) = LOC_PRES(MYC, MYR, L)\n \n PTMET_DATA( N )%DENS(L,S) = LOC_DENS(MYC, MYR, L)\n#ifdef twoway\n PTMET_DATA( N )%UWIND(:,S) = LOC_UWIND(MYC, MYR, L)\n\n PTMET_DATA( N )%VWIND(:,S) = LOC_VWIND(MYC, MYR, L)\n#else\n PTMET_DATA( N )%UWIND(L,S) = 0.5*( LOC_UWIND(MYC, MYR, L)\n & + LOC_UWIND(MYC+1, MYR, L) )\n \n PTMET_DATA( N )%VWIND(L,S) = 0.5*( LOC_VWIND(MYC, MYR, L)\n & + LOC_VWIND(MYC, MYR+1, L) )\n#endif \n END DO\n\n END DO\n\n IF ( MY_NSRC( N ) .GT. 0 ) THEN ! Compute ZSTK, DDZF\n CALL DELTA_ZS( DESID_LAYS, MSRC,\n & SOURCE( N )%ARRY, STKHT( N )%ARRY,\n & PTMET_DATA( N )%ZF,\n & PTMET_DATA( N )%ZSTK,\n & PTMET_DATA( N )%DDZF )\n END IF ! MY_NSRC( N ) > 0\n\n !END DO ! NPTGRPS\n\n END SUBROUTINE PTMET_CONVT\n#endif\n\nC-----------------------------------------------------------------------\n\n END MODULE PTMET\n" }, { "path": "CCTM/src/emis/emis/SSEMIS.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n MODULE SSEMIS\nC-----------------------------------------------------------------------\nC Description:\n\nC Revision History:\nC 04 Apr 11 S.Howard: generalization to accomodate different sea-salt speciation\nC in aero5 and aero6\nC 07 Apr 11 J.Young: additional mods\nC 07 Nov 14 J.Bash: Updated for the ASX_DATA_MOD shared data module.\nC 12 Aug 15 D.Wong: Replaced MYPE with IO_PE_INCLUSIVE for parallel I/O implementation\nC 09 Dec 15 D.Wong: Open CTM_SSEMIS_1 file in a IO_PE_INCLUSIVE conditional block\nC 24 Mar 16 G.Sarwar: updated to calculate NACL emissions (needed for BR2 emissions) \nC 16 Aug 18 G. Sarwar: Removed NACL\nC 1 Feb 19 David Wong: removed all MY_N clauses\nC-----------------------------------------------------------------------\n USE RUNTIME_VARS\n USE HGRD_DEFN\n USE AERO_DATA, ONLY: N_MODE\n USE DESID_VARS\n\n IMPLICIT NONE\n\nC Number of chemical species in fresh sea-salt aerosol\n INTEGER :: NSSSPC\n\nC Sea-Salt Emissions Rates\n PUBLIC NSSSPC, SSEMIS_INIT, GET_SSEMIS, SEA_FACTNUM, SEA_FACTSRF, SSOUTM\n PRIVATE\n\nC Position of H2O in sea-salt emission arrays\n INTEGER :: KH2O\n\nC Variables for the sea-salt diagnostic file\n INTEGER :: NSSDIAG ! number of species in sea-salt\n ! diagnostic emission file\n Real, ALLOCATABLE, SAVE :: SSOUTM( :,:,: ) ! SeaSpray Mass Emiss Rate [ug/m3/s]\n Real, ALLOCATABLE, SAVE :: SSOUTN( :,:,: ) ! SeaSpray Number Emiss Rate [1/m3/s]\n Real, ALLOCATABLE, SAVE :: SSOUTS( :,:,: ) ! SeaSpray Surface Area Emiss Rate [m2/m3/s]\n REAL, ALLOCATABLE :: SSOUTD( : ) ! emission rates\n REAL, ALLOCATABLE, SAVE :: SSBF( :,:,: ) ! seasalt emiss accumulator\n REAL, ALLOCATABLE, SAVE :: WRSS( :,: ) ! seasalt emiss write buffer\n REAL, ALLOCATABLE, SAVE :: SEA_FACTNUM( :,:,: ) ! Array for scaling Number Emissions\n REAL, ALLOCATABLE, SAVE :: SEA_FACTSRF( :,:,: ) ! Array for scaling Surface Area Emissions \n\nC Species names in the speciated sea-salt-emissions\n CHARACTER( 16 ), ALLOCATABLE :: WRSS_SPC( : ) ! species names\n\nC Lognormal parameters fit to the open-ocean flux function\n REAL, SAVE :: DGNJ( 136 ) ! geom mean diam of accum-mode [um]\n REAL, SAVE :: DGNK( 136 ) ! geom mean diam of coarse-mode [um]\n REAL, SAVE :: SIGJ( 136 ) ! geom std deviation of accum-mode flux\n REAL, SAVE :: SIGK( 136 ) ! geom std deviation of coarse-mode flux\n REAL, SAVE :: FNJ ( 136 ) ! magnitude of accum-mode flux [1/m2/s]\n REAL, SAVE :: FNK ( 136 ) ! magnitude of coarse-mode flux [1/m2/s]\n\nC Open-ocean flux numerically integrated over size range of interest\n REAL, SAVE :: VFLUX( 136 ) ! total particle volume flux [m3/m2/s]\n\nC Polycoeffs from Zhang et al. (2005)\n REAL( 8 ), SAVE :: C0_COEFF( 6 ) ! Eq 8\n REAL( 8 ), SAVE :: X_COEFF( 6 ) ! Eq 1\n\n INTEGER I\n\nC-------------------------- Data Statements ----------------------------\n\nC RH-dependent values calculated using MATLAB for THETA = 8 from Gong (2003)\n\nC Geometric mean diameter of accumulation mode [um]\n DATA ( DGNJ( I ), I = 1, 136 ) /\n & 0.0913, 0.0917, 0.0921, 0.0925, 0.0929, 0.0933, 0.0938, 0.0942,\n & 0.0946, 0.0951, 0.0956, 0.0961, 0.0967, 0.0972, 0.0977, 0.0984,\n & 0.0990, 0.0996, 0.1002, 0.1010, 0.1017, 0.1024, 0.1032, 0.1040,\n & 0.1048, 0.1058, 0.1067, 0.1077, 0.1087, 0.1098, 0.1110, 0.1123,\n & 0.1136, 0.1150, 0.1165, 0.1181, 0.1198, 0.1217, 0.1237, 0.1259,\n & 0.1283, 0.1309, 0.1338, 0.1371, 0.1407, 0.1448, 0.1453, 0.1457,\n & 0.1462, 0.1466, 0.1471, 0.1476, 0.1481, 0.1486, 0.1491, 0.1496,\n & 0.1501, 0.1506, 0.1511, 0.1517, 0.1522, 0.1528, 0.1533, 0.1539,\n & 0.1545, 0.1551, 0.1557, 0.1563, 0.1570, 0.1576, 0.1582, 0.1589,\n & 0.1596, 0.1603, 0.1610, 0.1617, 0.1624, 0.1631, 0.1639, 0.1647,\n & 0.1655, 0.1663, 0.1671, 0.1679, 0.1688, 0.1697, 0.1706, 0.1715,\n & 0.1724, 0.1734, 0.1744, 0.1754, 0.1764, 0.1775, 0.1786, 0.1797,\n & 0.1809, 0.1821, 0.1833, 0.1845, 0.1858, 0.1872, 0.1885, 0.1899,\n & 0.1914, 0.1929, 0.1945, 0.1961, 0.1978, 0.1995, 0.2013, 0.2032,\n & 0.2052, 0.2072, 0.2093, 0.2115, 0.2138, 0.2162, 0.2188, 0.2214,\n & 0.2243, 0.2272, 0.2304, 0.2336, 0.2371, 0.2409, 0.2449, 0.2492,\n & 0.2538, 0.2587, 0.2641, 0.2702, 0.2765, 0.2837, 0.2918, 0.3009 /\n\nC Geometric mean diameter of coarse mode [um]\n DATA ( DGNK( I ), I = 1, 136 ) /\n & 1.7786, 1.8180, 1.8254, 1.8330, 1.8408, 1.8489, 1.8891, 1.8979,\n & 1.9069, 1.9163, 1.9259, 1.9673, 1.9778, 1.9887, 2.0000, 2.0425,\n & 2.0549, 2.0677, 2.0812, 2.1252, 2.1400, 2.1554, 2.2009, 2.2180,\n & 2.2359, 2.2833, 2.3034, 2.3244, 2.3746, 2.3983, 2.4504, 2.4773,\n & 2.5319, 2.5627, 2.6207, 2.6563, 2.7187, 2.7831, 2.8286, 2.9000,\n & 2.9750, 3.0545, 3.1395, 3.2312, 3.3313, 3.4419, 3.4524, 3.4631,\n & 3.4855, 3.4965, 3.5077, 3.5190, 3.5305, 3.5422, 3.5540, 3.5760,\n & 3.5882, 3.6007, 3.6133, 3.6262, 3.6392, 3.6607, 3.6742, 3.6879,\n & 3.7019, 3.7161, 3.7306, 3.7517, 3.7667, 3.7820, 3.7976, 3.8134,\n & 3.8296, 3.8506, 3.8674, 3.8845, 3.9019, 3.9197, 3.9405, 3.9591,\n & 3.9781, 3.9974, 4.0172, 4.0380, 4.0587, 4.0798, 4.1015, 4.1221,\n & 4.1448, 4.1680, 4.1918, 4.2126, 4.2375, 4.2632, 4.2895, 4.3108,\n & 4.3385, 4.3671, 4.3964, 4.4185, 4.4495, 4.4816, 4.5040, 4.5381,\n & 4.5732, 4.5965, 4.6340, 4.6728, 4.6974, 4.7390, 4.7640, 4.8087,\n & 4.8552, 4.8827, 4.9330, 4.9618, 5.0166, 5.0472, 5.1071, 5.1403,\n & 5.2062, 5.2426, 5.3158, 5.3566, 5.3985, 5.4852, 5.5338, 5.5844,\n & 5.6378, 5.6944, 5.7547, 5.8867, 5.8898, 5.9665, 6.0510, 6.1446 /\n\nC Geometric standard deviation of accumulation mode\n DATA ( SIGJ( I ), I = 1, 136 ) /\n & 2.1420, 2.1442, 2.1442, 2.1442, 2.1442, 2.1442, 2.1464, 2.1464,\n & 2.1464, 2.1464, 2.1464, 2.1485, 2.1485, 2.1485, 2.1485, 2.1506,\n & 2.1506, 2.1506, 2.1506, 2.1526, 2.1526, 2.1526, 2.1545, 2.1545,\n & 2.1545, 2.1564, 2.1564, 2.1564, 2.1582, 2.1582, 2.1599, 2.1599,\n & 2.1616, 2.1616, 2.1632, 2.1632, 2.1647, 2.1661, 2.1661, 2.1674,\n & 2.1687, 2.1698, 2.1709, 2.1719, 2.1727, 2.1735, 2.1735, 2.1735,\n & 2.1742, 2.1742, 2.1742, 2.1742, 2.1742, 2.1742, 2.1742, 2.1747,\n & 2.1747, 2.1747, 2.1747, 2.1747, 2.1747, 2.1752, 2.1752, 2.1752,\n & 2.1752, 2.1752, 2.1752, 2.1756, 2.1756, 2.1756, 2.1756, 2.1756,\n & 2.1756, 2.1758, 2.1758, 2.1758, 2.1758, 2.1758, 2.1760, 2.1760,\n & 2.1760, 2.1760, 2.1760, 2.1760, 2.1760, 2.1760, 2.1760, 2.1759,\n & 2.1759, 2.1759, 2.1759, 2.1757, 2.1757, 2.1757, 2.1757, 2.1754,\n & 2.1754, 2.1754, 2.1754, 2.1750, 2.1750, 2.1750, 2.1745, 2.1745,\n & 2.1745, 2.1739, 2.1739, 2.1739, 2.1731, 2.1731, 2.1723, 2.1723,\n & 2.1723, 2.1713, 2.1713, 2.1703, 2.1703, 2.1691, 2.1691, 2.1679,\n & 2.1679, 2.1665, 2.1665, 2.1651, 2.1636, 2.1636, 2.1619, 2.1602,\n & 2.1584, 2.1566, 2.1546, 2.1546, 2.1506, 2.1484, 2.1462, 2.1440 /\n\nC Geometric standard deviation of coarse mode\n DATA ( SIGK( I ), I = 1, 136 ) /\n & 2.1083, 2.0900, 2.0900, 2.0900, 2.0900, 2.0900, 2.0725, 2.0725,\n & 2.0725, 2.0725, 2.0725, 2.0558, 2.0558, 2.0558, 2.0558, 2.0399,\n & 2.0399, 2.0399, 2.0399, 2.0248, 2.0248, 2.0248, 2.0103, 2.0103,\n & 2.0103, 1.9967, 1.9967, 1.9967, 1.9836, 1.9836, 1.9713, 1.9713,\n & 1.9597, 1.9597, 1.9487, 1.9487, 1.9384, 1.9288, 1.9288, 1.9198,\n & 1.9114, 1.9036, 1.8965, 1.8901, 1.8843, 1.8791, 1.8791, 1.8791,\n & 1.8746, 1.8746, 1.8746, 1.8746, 1.8746, 1.8746, 1.8746, 1.8708,\n & 1.8708, 1.8708, 1.8708, 1.8708, 1.8708, 1.8676, 1.8676, 1.8676,\n & 1.8676, 1.8676, 1.8676, 1.8652, 1.8652, 1.8652, 1.8652, 1.8652,\n & 1.8652, 1.8635, 1.8635, 1.8635, 1.8635, 1.8635, 1.8625, 1.8625,\n & 1.8625, 1.8625, 1.8625, 1.8622, 1.8622, 1.8622, 1.8622, 1.8628,\n & 1.8628, 1.8628, 1.8628, 1.8642, 1.8642, 1.8642, 1.8642, 1.8664,\n & 1.8664, 1.8664, 1.8664, 1.8696, 1.8696, 1.8696, 1.8737, 1.8737,\n & 1.8737, 1.8788, 1.8788, 1.8788, 1.8850, 1.8850, 1.8923, 1.8923,\n & 1.8923, 1.9009, 1.9009, 1.9108, 1.9108, 1.9221, 1.9221, 1.9351,\n & 1.9351, 1.9497, 1.9497, 1.9662, 1.9849, 1.9849, 2.0058, 2.0295,\n & 2.0560, 2.0859, 2.1197, 2.1197, 2.2014, 2.2510, 2.3080, 2.3740 /\n\nC Number flux in accumulation mode at 1 m/s [1/m2/s]\n DATA ( FNJ( I ), I = 1, 136 ) /\n & 1249.0821, 1248.2831, 1248.2831, 1248.2831, 1248.2831, 1248.2831,\n & 1247.4863, 1247.4863, 1247.4863, 1247.4863, 1247.4863, 1246.6948,\n & 1246.6948, 1246.6948, 1246.6948, 1245.9114, 1245.9114, 1245.9114,\n & 1245.9114, 1245.1389, 1245.1389, 1245.1389, 1244.3799, 1244.3799,\n & 1244.3799, 1243.6370, 1243.6370, 1243.6370, 1242.9115, 1242.9115,\n & 1242.2081, 1242.2081, 1241.5281, 1241.5281, 1240.8739, 1240.8739,\n & 1240.2476, 1239.6513, 1239.6513, 1239.0872, 1238.5571, 1238.0628,\n & 1237.6062, 1237.1869, 1236.8099, 1236.4749, 1236.4749, 1236.4749,\n & 1236.1833, 1236.1833, 1236.1833, 1236.1833, 1236.1833, 1236.1833,\n & 1236.1833, 1235.9361, 1235.9361, 1235.9361, 1235.9361, 1235.9361,\n & 1235.9361, 1235.7343, 1235.7343, 1235.7343, 1235.7343, 1235.7343,\n & 1235.7343, 1235.5787, 1235.5787, 1235.5786, 1235.5786, 1235.5786,\n & 1235.5786, 1235.4698, 1235.4698, 1235.4698, 1235.4698, 1235.4698,\n & 1235.4082, 1235.4082, 1235.4082, 1235.4082, 1235.4082, 1235.3941,\n & 1235.3941, 1235.3941, 1235.3941, 1235.4277, 1235.4277, 1235.4277,\n & 1235.4277, 1235.5087, 1235.5087, 1235.5087, 1235.5087, 1235.6351,\n & 1235.6351, 1235.6351, 1235.6351, 1235.8099, 1235.8099, 1235.8099,\n & 1236.0306, 1236.0306, 1236.0306, 1236.2963, 1236.2963, 1236.2963,\n & 1236.6058, 1236.6058, 1236.9575, 1236.9575, 1236.9575, 1237.3498,\n & 1237.3498, 1237.7807, 1237.7807, 1238.2480, 1238.2480, 1238.7491,\n & 1238.7491, 1239.2812, 1239.2812, 1239.8412, 1240.4256, 1240.4256,\n & 1241.0307, 1241.6543, 1242.2878, 1242.9282, 1243.5702, 1243.5702,\n & 1244.8344, 1245.4428, 1246.0247, 1246.5734 /\n\nC Number flux in coarse mode at 1 m/s [1/m2/s]\n DATA ( FNK( I ), I = 1, 136 ) /\n & 11.2976, 11.1324, 11.1324, 11.1324, 11.1324, 11.1324, 10.9787,\n & 10.9787, 10.9787, 10.9787, 10.9787, 10.8356, 10.8356, 10.8356,\n & 10.8356, 10.7024, 10.7024, 10.7024, 10.7024, 10.5785, 10.5785,\n & 10.5785, 10.4632, 10.4632, 10.4632, 10.3561, 10.3561, 10.3561,\n & 10.2565, 10.2565, 10.1641, 10.1641, 10.0786, 10.0786, 9.9994,\n & 9.9994, 9.9263, 9.8591, 9.8591, 9.7973, 9.7408, 9.6894, 9.6430,\n & 9.6011, 9.5640, 9.5315, 9.5315, 9.5315, 9.5034, 9.5034, 9.5034,\n & 9.5034, 9.5034, 9.5034, 9.5034, 9.4797, 9.4797, 9.4797, 9.4797,\n & 9.4797, 9.4797, 9.4604, 9.4604, 9.4604, 9.4604, 9.4604, 9.4604,\n & 9.4455, 9.4455, 9.4455, 9.4455, 9.4455, 9.4455, 9.4351, 9.4351,\n & 9.4351, 9.4351, 9.4351, 9.4291, 9.4291, 9.4291, 9.4291, 9.4291,\n & 9.4278, 9.4278, 9.4278, 9.4278, 9.4311, 9.4311, 9.4311, 9.4311,\n & 9.4393, 9.4393, 9.4393, 9.4393, 9.4523, 9.4523, 9.4523, 9.4523,\n & 9.4708, 9.4708, 9.4708, 9.4948, 9.4948, 9.4948, 9.5247, 9.5247,\n & 9.5247, 9.5608, 9.5608, 9.6036, 9.6036, 9.6036, 9.6536, 9.6536,\n & 9.7112, 9.7112, 9.7773, 9.7773, 9.8524, 9.8524, 9.9376, 9.9376,\n & 10.0336, 10.1418, 10.1418, 10.2634, 10.4001, 10.5533, 10.7252,\n & 10.9184, 10.9184, 11.3807, 11.6576, 11.9718, 12.3303 /\n\nC Volume flux at 1 m/s numerically integrated over full size range [m3/m2/s]\n DATA ( VFLUX( I ), I = 1, 136 ) /\n & 3.5750e-16, 3.5600e-16, 3.6036e-16, 3.6489e-16, 3.6960e-16,\n & 3.7449e-16, 3.7367e-16, 3.7889e-16, 3.8434e-16, 3.9002e-16,\n & 3.9596e-16, 3.9603e-16, 4.0243e-16, 4.0913e-16, 4.1615e-16,\n & 4.1720e-16, 4.2484e-16, 4.3289e-16, 4.4136e-16, 4.4371e-16,\n & 4.5303e-16, 4.6290e-16, 4.6656e-16, 4.7752e-16, 4.8919e-16,\n & 4.9453e-16, 5.0765e-16, 5.2171e-16, 5.2932e-16, 5.4535e-16,\n & 5.5493e-16, 5.7342e-16, 5.8547e-16, 6.0711e-16, 6.2234e-16,\n & 6.4805e-16, 6.6748e-16, 6.8942e-16, 7.2379e-16, 7.5245e-16,\n & 7.8530e-16, 8.2321e-16, 8.6731e-16, 9.1914e-16, 9.8076e-16,\n & 1.0551e-15, 1.0648e-15, 1.0746e-15, 1.0704e-15, 1.0806e-15,\n & 1.0909e-15, 1.1015e-15, 1.1124e-15, 1.1234e-15, 1.1347e-15,\n & 1.1310e-15, 1.1427e-15, 1.1546e-15, 1.1668e-15, 1.1793e-15,\n & 1.1921e-15, 1.1889e-15, 1.2021e-15, 1.2157e-15, 1.2295e-15,\n & 1.2437e-15, 1.2583e-15, 1.2559e-15, 1.2711e-15, 1.2866e-15,\n & 1.3025e-15, 1.3189e-15, 1.3357e-15, 1.3343e-15, 1.3518e-15,\n & 1.3699e-15, 1.3884e-15, 1.4075e-15, 1.4072e-15, 1.4272e-15,\n & 1.4477e-15, 1.4690e-15, 1.4909e-15, 1.4919e-15, 1.5149e-15,\n & 1.5387e-15, 1.5633e-15, 1.5657e-15, 1.5916e-15, 1.6185e-15,\n & 1.6464e-15, 1.6504e-15, 1.6799e-15, 1.7106e-15, 1.7425e-15,\n & 1.7487e-15, 1.7827e-15, 1.8181e-15, 1.8550e-15, 1.8640e-15,\n & 1.9036e-15, 1.9450e-15, 1.9566e-15, 2.0013e-15, 2.0481e-15,\n & 2.0629e-15, 2.1138e-15, 2.1673e-15, 2.1862e-15, 2.2448e-15,\n & 2.2666e-15, 2.3310e-15, 2.3993e-15, 2.4276e-15, 2.5035e-15,\n & 2.5366e-15, 2.6216e-15, 2.6607e-15, 2.7566e-15, 2.8033e-15,\n & 2.9126e-15, 2.9689e-15, 3.0950e-15, 3.1640e-15, 3.2387e-15,\n & 3.3973e-15, 3.4912e-15, 3.5945e-15, 3.7089e-15, 3.8366e-15,\n & 3.9802e-15, 4.2603e-15, 4.3308e-15, 4.5485e-15, 4.8050e-15,\n & 5.1124e-15 /\n\n\nC Polynomial coefficients from Zhang et al. (2005) \n DATA C0_COEFF / 28.376D0, -205.44D0, 653.37D0, -1031.7D0, 803.18D0, -247.08D0 /\n DATA X_COEFF / 3.1657D0, -19.079D0, 55.72D0, -83.998D0, 63.436D0, -19.248D0 /\n\n CONTAINS\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n FUNCTION SSEMIS_INIT( JDATE, JTIME, TSTEP ) RESULT ( SUCCESS )\n\nC Revision History:\nC 26 Feb 10 J.Young: Eliminate BARRIER, etc. to prevent MPI race condition\nC 16 Feb 11 S.Roselle: replaced I/O API include files with UTILIO_DEFN\nC 04 Apr 11 S.Howard: dynamic allocation and generalization of indices for\nC SSOUTD, WRSS_SPC, and SSSPC_MAP\nC 11 May 11 D.Wong: incorporated twoway model implementation\nC 12 Aug 15 D.Wong: added code to handle parallel I/O implementation\n\n USE UTILIO_DEFN\n USE AERO_DATA\n\n#ifndef mpas\n#ifdef parallel\n USE SE_MODULES ! stenex (using SE_UTIL_MODULE)\n#else\n USE NOOP_MODULES ! stenex (using NOOP_UTIL_MODULE)\n#endif\n#endif\n\n IMPLICIT NONE\n\nC Arguments:\n INTEGER, INTENT( IN ) :: JDATE, JTIME, TSTEP\n LOGICAL :: SUCCESS\n\nC Includes:\n INCLUDE SUBST_FILES_ID ! file name parameters\n\nC Local Variables:\n CHARACTER( 16 ), SAVE :: PNAME = 'SSEMIS_INIT'\n CHARACTER( 80 ) :: VARDESC\n CHARACTER( 250 ) :: XMSG = ' '\n INTEGER STATUS\n INTEGER S, N, L, ISEA, SPC, IM\n LOGICAL SEA_MATCH\n CHARACTER( 16 ) :: SN\n\nC-----------------------------------------------------------------------\n\n SUCCESS = .TRUE.\n\nC Map aerospc data\n CALL MAP_AERO()\n\n CALL LOG_MESSAGE( LOGDEV, 'Initialize Sea Spray Aerosol Emissions' )\n\n ! Specify H2O in mapping\n KH2O = NSEA_SPC\n\nC Populate Master Emissions Map Vector So That Diagnostics \nC can be printed in EMIS_MAP\n NSSSPC = NSEA_SPC\n DESID_EMVAR( iseasrm )%len = nssspc*2\n Allocate( DESID_EMVAR( iseasrm )%arry ( nssspc*2 ) )\n Allocate( DESID_EMVAR( iseasrm )%units( nssspc*2 ) )\n Allocate( DESID_EMVAR( iseasrm )%mw ( nssspc*2 ) )\n Allocate( DESID_EMVAR( iseasrm )%used ( nssspc*2 ) )\n Allocate( DESID_EMVAR( iseasrm )%conv ( nssspc*2 ) )\n Allocate( DESID_EMVAR( iseasrm )%basis( nssspc*2 ) )\n Allocate( DESID_EMVAR( iseasrm )%larea( nssspc*2 ) )\n Allocate( DESID_EMVAR( iseasrm )%lareaadj( nssspc*2 ) )\n DESID_EMVAR( iseasrm )%arry( : ) = 'NOT_AVAILABLE'\n do i = 1,nssspc\n IF ( sea_spc( i )%spcfac(1) .NE. 0.0 .or. i .EQ. nssspc ) \n & DESID_EMVAR( iseasrm )%arry( i ) =\n & \"PMFINE_\" // sea_spc(i)%name\n IF ( sea_spc( i )%spcfac(2) .NE. 0.0 .or. i .EQ. nssspc ) \n & DESID_EMVAR( iseasrm )%arry( i+nssspc ) =\n & \"PMCOARSE_\" // sea_spc(i)%name\n DESID_EMVAR( iseasrm )%mw ( i ) = sea_spc(i)%mw\n DESID_EMVAR( iseasrm )%mw ( i+nssspc ) = sea_spc(i)%mw\n end do\n DESID_EMVAR( iseasrm )%units( : ) = 'G/S'\n DESID_EMVAR( iseasrm )%used ( : ) = .FALSE.\n DESID_EMVAR( iseasrm )%conv ( : ) = 1.0\n DESID_EMVAR( iseasrm )%basis( : ) = 'MASS'\n DESID_EMVAR( iseasrm )%larea( : ) = .FALSE.\n DESID_EMVAR( iseasrm )%lareaadj( : ) = .FALSE.\n \nC Allocate SS arrays using NSSSPC value\n ALLOCATE ( SSOUTM( NSSSPC*2,NCOLS,NROWS ),\n & SSOUTN( 2,NCOLS,NROWS ),\n & SSOUTS( 2,NCOLS,NROWS ), \n & SEA_FACTNUM( N_MODE,NCOLS,NROWS ),\n & SEA_FACTSRF( N_MODE,NCOLS,NROWS ), STAT = STATUS )\n IF ( STATUS .NE. 0 ) THEN\n XMSG = '*** SSOUTM, SSOUTN or SSOUTS memory allocation failed'\n CALL M3WARN ( PNAME, JDATE, JTIME, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\n\n IF ( SSEMDIAG ) THEN ! Open the sea-salt emission diagnostic file\nC Determine number of sea-salt species For diagnostic file\n NSSDIAG = 0\n DO ISEA = 1,NSSSPC\n NSSDIAG = NSSDIAG + COUNT( SEA_SPC( ISEA )%SPCFAC( : ) .GT. 0. )\n ENDDO\nC Include H2O\n NSSDIAG = NSSDIAG + 2 !! count both J and K modes\nC Include NUMBER and SURFACE_AREA to diagnostic (J & K)\n NSSDIAG = NSSDIAG + 4\n\nC Allocate diagnostic arrays\n ALLOCATE ( SSOUTD( NSSDIAG ),\n & WRSS_SPC( NSSDIAG ), STAT = STATUS )\n IF ( STATUS .NE. 0 ) THEN\n XMSG = '*** SSOUTD or WRSS_SPC memory allocation failed'\n CALL M3WARN ( PNAME, JDATE, JTIME, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\nC Build diagnostic file write buffer (WRSS_SPC) array\n NSSDIAG = 0\n DO N = 1, 2\n DO S = 1, NSSSPC\n IF ( SEA_SPC( S )%SPCFAC( N ) .GT. 0.0 ) THEN\n NSSDIAG = NSSDIAG + 1\n WRSS_SPC( NSSDIAG ) = TRIM( SEA_SPC( S )%NAME ) // MODESUFF( N ) \n END IF\n END DO\nC Include H2O\n NSSDIAG = NSSDIAG + 1\n WRSS_SPC( NSSDIAG ) = 'AH2O' // MODESUFF( N )\n END DO\n\nC Include Mode NUMBER to diagnostic\n NSSDIAG = NSSDIAG + 1\n WRSS_SPC( NSSDIAG ) = \"NUMFINE\"\n NSSDIAG = NSSDIAG + 1\n WRSS_SPC( NSSDIAG ) = \"NUMCOARSE\"\n \nC Include Mode SURFACE_AREA to diagnostic\n NSSDIAG = NSSDIAG + 1\n WRSS_SPC( NSSDIAG ) = \"SRFFINE\"\n NSSDIAG = NSSDIAG + 1\n WRSS_SPC( NSSDIAG ) = \"SRFCOARSE\"\n\nC Open the sea-salt emission dignostic file\n IF ( IO_PE_INCLUSIVE ) CALL OPSSEMIS ( STDATE, STTIME, TSTEP, NSSDIAG, WRSS_SPC )\n\n ALLOCATE ( SSBF( NSSDIAG,NCOLS,NROWS ),\n & WRSS( NCOLS,NROWS ), STAT = STATUS )\n IF ( STATUS .NE. 0 ) THEN\n XMSG = '*** SSBF or WRSS memory allocation failed'\n CALL M3WARN ( PNAME, JDATE, JTIME, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\n#ifndef mpas\n#ifdef parallel_io\n CALL SE_BARRIER\n IF ( .NOT. IO_PE_INCLUSIVE ) THEN\n IF ( .NOT. OPEN3( CTM_SSEMIS_1, FSREAD3, PNAME ) ) THEN\n XMSG = 'Could not open ' // TRIM(CTM_SSEMIS_1)\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n END IF\n#endif\n#endif\n\n END IF\n\n END FUNCTION SSEMIS_INIT\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE OPSSEMIS ( JDATE, JTIME, TSTEP, NSSDIAG, WRSS_SPC )\n\nC 16 May 05 P.Bhave: original version, using OPDDEP as a template\nC 4 Mar 10 J.Young: accomodate Steve Howard's reengineering\nC 16 Feb 11 S.Roselle: replaced I/O API include files with UTILIO_DEFN\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE UTILIO_DEFN\n\n IMPLICIT NONE\n\n INCLUDE SUBST_FILES_ID ! file name parameters\n\nC Arguments:\n INTEGER JDATE ! current model date, coded YYYYDDD\n INTEGER JTIME ! current model time, coded HHMMSS\n INTEGER TSTEP ! output time step\n INTEGER NSSDIAG\n CHARACTER( 16 ) :: WRSS_SPC( NSSDIAG )\n\nC Local variables:\n CHARACTER( 16 ) :: PNAME = 'OPSSEMIS'\n CHARACTER( 96 ) :: XMSG = ' '\n\n INTEGER V, L ! loop induction variables\n\nC-----------------------------------------------------------------------\n\n#ifndef mpas\nC Try to open existing file for update\n IF ( .NOT. OPEN3( CTM_SSEMIS_1, FSRDWR3, PNAME ) ) THEN\n XMSG = 'Could not open CTM_SSEMIS_1 for update - '\n & // 'try to open new'\n CALL M3MESG( XMSG )\n\nC Set output file characteristics based on COORD.EXT and open diagnostic file\n FTYPE3D = GRDDED3\n SDATE3D = JDATE\n STIME3D = JTIME\n TSTEP3D = TSTEP\n CALL NEXTIME( SDATE3D, STIME3D, TSTEP3D ) ! start the next hour\n\n NVARS3D = NSSDIAG\n NCOLS3D = GL_NCOLS\n NROWS3D = GL_NROWS\n NLAYS3D = 1\n NTHIK3D = 1\n GDTYP3D = GDTYP_GD\n P_ALP3D = P_ALP_GD\n P_BET3D = P_BET_GD\n P_GAM3D = P_GAM_GD\n XORIG3D = XORIG_GD\n YORIG3D = YORIG_GD\n XCENT3D = XCENT_GD\n YCENT3D = YCENT_GD\n XCELL3D = XCELL_GD\n YCELL3D = YCELL_GD\n VGTYP3D = VGTYP_GD\n VGTOP3D = VGTOP_GD\n! VGTPUN3D = VGTPUN_GD ! currently, not defined\n DO L = 1, NLAYS3D + 1\n VGLVS3D( L ) = VGLVS_GD( L )\n END DO\n! GDNAM3D = GDNAME_GD\n GDNAM3D = GRID_NAME ! from HGRD_DEFN\n\n DO V = 1, NSSDIAG\n VTYPE3D( V ) = M3REAL\n VNAME3D( V ) = WRSS_SPC( V )\n IF ( VNAME3D( V )(1:3) .EQ. 'NUM' ) THEN\n UNITS3D( V ) = 's-1'\n ELSE IF ( VNAME3D( V )(1:3) .EQ. 'SRF' ) THEN\n UNITS3D( V ) = 'm2 s-1'\n ELSE\n UNITS3D( V ) = 'g s-1'\n END IF\n VDESC3D( V ) = 'hourly ' // TRIM( VNAME3D( V ) )\n & // ' sea-salt emission rate'\n END DO\n\n FDESC3D( 1 ) = 'hourly layer-1 sea-salt emission rates'\n DO L = 2, MXDESC3\n FDESC3D( L ) = ' '\n END DO\n\nC Open sea-salt emissions diagnostic file\n IF ( .NOT. OPEN3( CTM_SSEMIS_1, FSNEW3, PNAME ) ) THEN\n XMSG = 'Could not create the CTM_SSEMIS_1 file'\n CALL M3EXIT( PNAME, SDATE3D, STIME3D, XMSG, XSTAT1 )\n END IF\n\n END IF\n#endif\n\n RETURN\n\n END SUBROUTINE OPSSEMIS\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE GET_SSEMIS ( JDATE, JTIME, TSTEP, CELLVOL, CELLHGT,\n & L_DESID_DIAG )\n\nC GET_SSEMIS calculates the sea-salt emission rates in a grid cell\nC given the fractional grid-cell area covered by open ocean and surf zone\n \nC Key Subroutines/Functions Called: NONE\n \nC Revision History:\n \nC 13 Jun 05 P.Bhave: first version for public release\nC 11 Apr 08 J.Kelly: added code for (1) emission of coarse surface area,\nC (2) emission of coarse water, (3) enhanced surf zone\nC emissions, and (4) variable coarse std. deviation\nC 20 Feb 10 J.Young: move out of AERO_EMIS proper into this module\nC 16 Feb 11 S.Roselle: replaced I/O API include files with UTILIO_DEFN\nC 04 Apr 11 S.Howard: moved speciation to AERO_DATA and generalized species\nC and modal references and density calculation\nC 11 May 11 D.Wong: incorporated twoway model implementation\nC 08 Aug 14 B.Gantt: added code for (1) increased accumulation mode\nC emissions, (2) sea surface temperature dependence\nC of emissions, and (3) reduction of surf zone\nC emisions\n \nC References:\nC Alduchov and Eskridge, \"Improved Magnus Form Approximations of\nC Saturation Vapor Pressure,\" Jour. of Applied Meteorology, vol. 35,\nC pp 601-609, April, 1996.\nC Binkowski F.S., S.J. Roselle. Models-3 Community Multiscale Air Quality \nC (CMAQ) model aerosol component 1: Model Description. J. Geophys. \nC Res., Vol 108, No D6, 4183, doi:10.1029/2001JD001409 (2003).\nC Seinfeld, J.H., S.N. Pandis. \"Atmospheric Chemistry and Physics - from\nC air pollution to climate change\" John Wiley & Sons, Inc. (1998).\nC Zhang, K.M., E.M. Knipping, A.S. Wexler, P.V. Bhave, G.S. Tonnesen\nC \"Size distribution of sea-salt emissions as a function of relative\nC humidity\" Atmospheric Environment, 39, 3373-3379 (2005).\nC Lewis, E.R. and Schwartz, S.E. \"Comment on \"Size distribution of sea-salt\nC emissions as a funciton of relative humidity\", Atmospheric Environment,\nC 40, 588-590 (2006)\nC Zhang, K.M., E.M. Knipping, A.S. Wexler, P.V. Bhave, G.S. Tonnesen, \"Reply\nC to comment on \"Size distribution of sea-salt emissions as a funciton \nC of relative humidity\", Atmospheric Environment, 40, 591-592 (2006)\nC Clarke, A.D., S.R. Owens, and J. Zhou \"An ultrafine sea-salt flux from\nC breaking waves: Implications for cloud condensation nuclei in the\nC remote marine atmosphere\" J. Geophys. Res. (2006)\nC Gong, S. L., A parameterization of sea-salt aerosol source function\nC for sub- and super-micron particles, Global Biogeochem. Cycles, 17,\nC 1097, (2003).\nC Jaeglé, L., P. K. Quinn, T. S. Bates, B. Alexander, and J. T. Lin, Global \nC distribution of sea salt aerosols: New constraints from in situ and\nC remote sensing observations, Atmos. Chem. Phys., 11, 3137–3157,\nC (2011).\nC Ovadnevaite, J., Manders, A., de Leeuw, G., Ceburnis, D., Monahan, C., \nC Partanen, A.-I., Korhonen, H., and O'Dowd, C. D.: A sea spray \nC aerosol flux parameterization encapsulating wave state, Atmos. \nC Chem. Phys., 14, 1837-1852, (2014).\nC-----------------------------------------------------------------------\n\n USE UTILIO_DEFN\n USE AERO_DATA\n USE AEROMET_DATA ! Includes CONST.EXT\n USE ASX_DATA_MOD, ONLY: MET_DATA, GRID_DATA, svp2, svp3\n#ifdef mpas\n use coupler_module, only : cell_vol, cell_thickness\n#endif\n\n IMPLICIT NONE\n\nC Arguments\n INTEGER, INTENT( IN ) :: JDATE, JTIME, TSTEP( 3 )\n REAL, INTENT( IN ) :: CELLVOL(:,:) ! grid-cell volume [m2*sigma]\n REAL, INTENT( IN ) :: CELLHGT(:,:) ! grid-cell height [sigma] \n LOGICAL, INTENT( IN ) :: L_DESID_DIAG ! flag for whether or not DESID \n ! is in diagnostic mode\nC Includes:\n INCLUDE SUBST_FILES_ID ! file name parameters\n\nC Local Variables:\n REAL :: OFRAC ! fractional seawater cover\n REAL :: SFRAC ! fractional surf-zone cover\n REAL :: BLKPRS ! atmospheric pressure [Pa]\n REAL :: BLKTA ! air temperature [K]\n REAL :: BLKQV ! H2O mass mixing ratio [ kg/kg ]\n REAL :: U10 ! wind speed at 10m [m/s]\n REAL :: RLAY1HT ! reciprocal of layer-1 height [1/m]\n REAL :: AIRVOL ! grid-cell volume [m3]\n REAL :: SST ! sea surface temperature[C]\n\n CHARACTER( 16 ), SAVE :: PNAME = 'GET_SSEMIS'\n CHARACTER( 96 ) :: XMSG = ' '\n INTEGER C, R, L, N, V, S ! loop indices\n\nC Variables for calculating ambient RH as done in the aerosol module\n REAL, PARAMETER :: AA = 610.94 ! coefficients from Alduchov\n REAL, PARAMETER :: BB = 17.625 ! and Eskridge (1996)\n REAL, PARAMETER :: CC = 243.04\n REAL, PARAMETER :: EPSWATER = MWWAT / MWAIR\n REAL :: ESAT ! saturation vapor pressure\n REAL :: BLKRH ! fractional relative humidity\n\nC Variables for calculating solute mass fraction & size-correction factors\n REAL( 8 ), PARAMETER :: ONE3 = 1.0D0 / 3.00D0\n REAL( 8 ), PARAMETER :: A0 = 1.0D0 / 3.70D0\n REAL( 8 ), PARAMETER :: A80 = 3.7D0 / 1.82D0\n REAL :: RH ! BLKRH constrained to 45-99% range\n REAL( 8 ) :: DRH ! double precision RH\n REAL( 8 ) :: C0 ! (Diam @ formation) / (Diam @ ambient RH)\n REAL( 8 ) :: C80 ! (Diam @ 80% RH) / (Diam @ ambient RH) \n REAL( 8 ) :: XSW ! fractional solute weight fraction\n\nC Density of dry sea salt [kg/m3] using volume additivity\n REAL( 8 ) :: RHOSW( 2 ) ! sea-salt particle density at ambient RH [g/m3]\n\nC Maximum and minimum diameters for emission-flux integrations [m]\n REAL, PARAMETER :: DPMAX = 20.0E-6 ! upper limit used for the\n ! numerical integrations\n REAL :: DPMINO ! minimum diameter for open-ocean flux\n REAL :: DPMAXO ! maximum diameter for open-ocean flux\n \nC Wind-speed-dependent scaling factors for emissions flux functions\n REAL :: WDSCALO ! Gong-Monahan open-ocean flux\n\nC SST-dependent scaling factor for emissions flux functions\n REAL :: SSTSCALO ! Jaegle flux\n\nC Fraction of whitecap coverage\n REAL :: WCAP\n\nC Lognormal parameters and numerically-integrated fluxes at ambient RH\n INTEGER :: IPOS ! position of ambient RH in data arrays\n REAL :: DGNJRH ! geometric mean of accum-mode flux [m]\n REAL :: DGNKRH ! geometric mean of coarse-mode flux [m]\n REAL :: SIGJRH ! geom std deviation of accum-mode flux\n REAL :: SIGKRH ! geom std deviation of coarse-mode flux\n REAL :: FNJRH ! magnitude of accum-mode flux [1/m2/s]\n REAL :: FNKRH ! magnitude of coarse-mode flux [1/m2/s]\n REAL :: VFLXRH ! total particle volume [m3/m2/s]\n\nC Alternate forms of geometric std devs stored for efficiency\n REAL :: LNSGJ, LNSGK ! natural log of std dev\n REAL :: RDIVJ, RDIVK ! reciprocal of sqrt(2)*lnsg\n\nC Geometric mean diameters by volume/mass [m]\n REAL :: DGVJRH ! accumulation mode\n REAL :: DGVKRH ! coarse mode\n\nC Variables for converting 3rd moment emission rates to M0 and M2 rates\n REAL :: FACTNUMJ ! conversion for accumulation mode M0\n REAL :: FACTNUMK ! conversion for coarse mode M0\n REAL :: FACTM2J ! conversion for accumulation mode M2\n REAL :: FACTM2K ! conversion for coarse mode M2 \n\nC Variables for calculating fraction of mass emissions assigned to each mode\n REAL :: FFINJ ! finite integral for accumulation mode\n REAL :: FFINK ! finite integral for coarse mode\n REAL :: FRACMJ ! mass fraction assigned to accumulation mode\n REAL :: FRACMK ! mass fraction assigned to coarse mode\n\nC Mode-specific sea-salt mass emission rates [g/m3/s]\n REAL( 8 ) :: ESEASJ ! accumulation mode\n REAL( 8 ) :: ESEASK ! coarse mode\n\nC 3rd moment emission rates [m3/m3/s]\n REAL :: M3J ! accumulation mode, 3rd moment\n REAL :: M3K ! coarse mode, 3rd moment\n \nC Variables for calculating dry surface-area emission rate for accum mode\n REAL :: WET_M3J, DRY_M3J ! wet & dry 3rd moment emis rates [m3/m3/s] \n REAL :: WET_M2J, DRY_M2J ! wet & dry 2nd moment emis rates [m3/m3/s] \n REAL :: WET_M3K, DRY_M3K ! wet & dry 3rd moment emis rates [m3/m3/s] \n REAL :: WET_M2K, DRY_M2K ! wet & dry 2nd moment emis rates [m3/m3/s] \n\n INTEGER, SAVE :: WSTEP = 0 ! local write counter\n INTEGER :: MDATE, MTIME ! SSEMIS write date&time\n\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n\nC Mathematical constants; statement function for ERF approximation\n REAL, PARAMETER :: TWO3 = 2.0 / 3.0\n REAL :: ERF ! ERF approx. statement function\n REAL :: X ! dummy argument for ERF\n ERF( X ) = SIGN( 1.0, X ) * SQRT( 1.0 - EXP( -4.0 * X * X / PI ) )\n\nC----------------------------- Begin calc ------------------------------\n\nC Initialize sea-salt output buffer\n IF ( SSEMDIAG .AND. WSTEP .EQ. 0 .AND. .NOT. L_DESID_DIAG ) SSBF = 0.0\n SEA_FACTNUM = 0.0\n SEA_FACTSRF = 0.0\n\n DO R = 1, NROWS\n DO C = 1, NCOLS\n IF ( Grid_Data%OCEAN( C,R ) + Grid_Data%SZONE( C,R ) .GT. 0.0 ) THEN\n OFRAC = Grid_Data%OCEAN ( C,R )\n SFRAC = Grid_Data%SZONE ( C,R )\n BLKPRS = Met_Data%PRES ( C,R,1 )\n BLKTA = Met_Data%TA ( C,R,1 )\n BLKQV = Met_Data%QV ( C,R,1 )\n U10 = Met_Data%WSPD10 ( C,R )\n SST = max(Met_Data%TSEASFC( C,R ) - 273.15, 0.0 )\n#ifdef mpas\n RLAY1HT = Met_Data%RJACM ( C,R,1 ) / cell_thickness(C,1,1)\n#else\n RLAY1HT = Met_Data%RJACM ( C,R,1 ) / CELLHGT(c,r)\n#endif\n ELSE\n DO N = 1, 2\n DO S = 1, NSSSPC\n SSOUTM( (N-1)*NSSSPC+S,C,R ) = 0.0\n END DO\n SSOUTN( N,C,R ) = 0.0\n SSOUTS( N,C,R ) = 0.0\n END DO\n CYCLE\n END IF\n\nC Calculate fractional relative humidity in the grid cell\nC Follow the same methodology as in other portions of the code just for the 10m RH\n If ( BLKTA .Lt. stdtemp ) Then\n ESAT = vp0 *Exp( 22.514 - ( 6.15e3 / BLKTA ) )\n Else\n ESAT = vp0 *Exp( svp2 * ( BLKTA -stdtemp ) / ( BLKTA -svp3 ) ) \n End If\n BLKRH = BLKPRS * BLKQV / ( ( EPSWATER + BLKQV ) * ESAT ) \n BLKRH = MIN( 0.99, MAX( 0.005, BLKRH ) )\n\nC Calculate RH-dependent size-correction factors and solute mass fraction\nC using equations from Zhang et al. (2005), which are valid over the\nC 45-99% RH range. Store powers of RH for polynomial calculations.\n RH = BLKRH\n RH = MAX( 0.45, MIN( 0.99, RH ) )\n DRH = REAL( RH, 8 )\n\nC Calculate inverse of size-correction factors from Equation 3 of Lewis & Schwartz 2006 and Zhang et al 2006 equation 2. \n! C0 = 3.70D0 * ( (1.0D0-DRH) / (2.0D0-DRH) ) ** (1.0D0/3.0D0)\n! C80 = 1.82D0 * ( (1.0D0-DRH) / (2.0D0-DRH) ) ** (1.0D0/3.0D0)\n C0 = A0 * ( (2.0D0-DRH) / (1.0D0-DRH) ) ** ONE3\n C80 = A80 * C0\n\nC Calculate solute mass fraction using Equation 1 of Zhang et al.\n XSW = X_COEFF( 1 )\n & + DRH * ( X_COEFF( 2 )\n & + DRH * ( X_COEFF( 3 )\n & + DRH * ( X_COEFF( 4 )\n & + DRH * ( X_COEFF( 5 )\n & + DRH * ( X_COEFF( 6 ) ) ) ) ) )\n\n\nC Calculate sea-salt-particle density [g/m3] at ambient RH, assuming\nC volume additivity of dry salt plus water\n RHOSW( 1 ) = 1.0D+3 \n & / ( XSW / SEASPRAY_DENS( 2 ) + ( 1.0D0 - XSW ) * SPECIFIC_VOL_H2O )\n RHOSW( 2 ) = 1.0D+3 \n & / ( XSW / SEASPRAY_DENS( 3 ) + ( 1.0D0 - XSW ) * SPECIFIC_VOL_H2O )\n\nC Set minimum and maximum diameters for integration using the size-\nC correction factors of Zhang et al. (2005)\n\nC Gong-Monahan flux function is valid from 0.005-5.0 um dry radius;\nC multiply by 4 to get wet diameter at 80% RH\n! DPMINO = 2.0E-8 / REAL( C80, 4 )\n! DPMAXO = MIN( DPMAX, DPMAX / REAL( C80, 4 ) )\n DPMINO = 2.0E-8 * REAL( C80, 4 )\n DPMAXO = MIN( DPMAX, DPMAX * REAL( C80, 4 ) )\n\n\nC deLeeuw flux function is valid from 1.6-20 um diameter at formation\n! DPMINS = 1.6E-6 * C0 \n! DPMAXS = MIN( DPMAX, DPMAX * C0 )\n \nC Calculate scaling factors to correct the tabulated fluxes for the 10m\nC wind speed in this cell. Note: tabulated values are based on 1 m/s.\n WDSCALO = MIN( U10, 20.0 ) ** 3.41 ! Gong-Monahan flux function\n! WDSCALS = EXP( 0.23 * MIN( U10, 9.0 ) ) ! deLeeuw flux function\n\nC SST scaling factor based on Jaegle et al. (2011)\nC linearized by Ovadnevaite et al. (2014)\n SSTSCALO = 0.38 + 0.054 * SST\n\nC Calculate whitecap coverage fraction \n WCAP = 3.84E-6 * WDSCALO ! Eq. 5, Clarke et al. (2006) JGR\n\nC Find position in the data arrays that corresponds to ambient RH in this\nC grid cell and set the appropriate data values\n IF ( BLKRH .LE. 0.45 ) THEN\n IPOS = 1\n ELSE IF ( BLKRH .LE. 0.90 ) THEN\n IPOS = NINT( 100.0 * BLKRH - 44.0 )\n ELSE IF ( BLKRH .LE. 0.99 ) THEN\n IPOS = NINT( 1000.0 * BLKRH - 854.0 )\n ELSE\n IPOS = 136\n END IF\n\n DGNJRH = DGNJ ( IPOS ) * 1.0E-6 ! convert to [m]\n DGNKRH = DGNK ( IPOS ) * 1.0E-6 ! convert to [m]\n SIGJRH = SIGJ ( IPOS )\n SIGKRH = SIGK ( IPOS ) \n FNJRH = FNJ ( IPOS )\n FNKRH = FNK ( IPOS )\n VFLXRH = VFLUX( IPOS ) * ( OFRAC * SSTSCALO\n & + (SFRAC * 0.5) / WCAP )\n\nC Save certain functions of the geometric standard deviations for later use\n LNSGJ = LOG( SIGJRH )\n LNSGK = LOG( SIGKRH )\n RDIVJ = 1.0 / ( SQRT( 2.0 ) * LNSGJ )\n RDIVK = 1.0 / ( SQRT( 2.0 ) * LNSGK )\n\nC Calculate geometric-mean diameters by volume using Equation 7.52 of\nC Seinfeld & Pandis (1998).\n DGVJRH = DGNJRH * EXP( 3.0 * LNSGJ * LNSGJ )\n DGVKRH = DGNKRH * EXP( 3.0 * LNSGK * LNSGK )\n\nC Calculate modal volume fluxes [m3/m2/s] by evaluating finite integrals \nC from DPMIN to DPMAX over each lognormal distribution. Use resulting\nC values to calculate the fraction of the total number emissions to \nC assign to each mode. See Equations 19 and 20 of Uma Shankar`s\nC \"Integration of Sea-Salt Fluxes\" memo.\n FFINJ = 0.5 * FNJRH * DGVJRH ** 3 * EXP( -4.5 * LNSGJ * LNSGJ )\n & * ( ERF( LOG( DPMAXO / DGVJRH ) * RDIVJ ) \n & - ERF( LOG( DPMINO / DGVJRH ) * RDIVJ ) )\n FFINK = 0.5 * FNKRH * DGVKRH ** 3 * EXP( -4.5 * LNSGK * LNSGK )\n & * ( ERF( LOG( DPMAXO / DGVKRH ) * RDIVK ) \n & - ERF( LOG( DPMINO / DGVKRH ) * RDIVK ) )\n FRACMJ = FFINJ / ( FFINJ + FFINK )\n FRACMK = 1.0 - FRACMJ\n\nC Calculate mode-specific mass emission rates [g/m3/s], by multiplying\nC numerically-integrated volume fluxes by the modal volume fractions,\nC scaling for wind speed, dividing by grid-cell height, and multiplying\nC by particle density. Multiply by chemical speciation factors to\nC obtain speciated mass emissions.\n\n ESEASJ = VFLXRH * FRACMJ * WDSCALO * RLAY1HT * REAL( RHOSW( 1 ), 4 )\n\n ESEASK = VFLXRH * FRACMK * WDSCALO * RLAY1HT * REAL( RHOSW( 2 ), 4 )\n\n DO S = 1, NSSSPC\n IF ( S .EQ. KH2O ) THEN ! Water\n SSOUTM( S,C,R ) = ESEASJ * REAL( ( 1.0D0 - XSW ), 4 )\n SSOUTM( S+NSSSPC,C,R ) = ESEASK * REAL( ( 1.0D0 - XSW ), 4 )\n ELSE\n SSOUTM( S,C,R ) = ESEASJ * REAL( XSW, 4 )\n & * SEA_SPC( S )%SPCFAC( 1 )\n SSOUTM( S+NSSSPC,C,R ) = ESEASK * REAL( XSW, 4 )\n & * SEA_SPC( S )%SPCFAC( 2 )\n END IF\n\n END DO\n\nC Calculate mode-specific 3rd moment emission rates [m3/m3/s]\n M3J = ESEASJ * F6PI / REAL( RHOSW( 1 ), 4 ) + TINY(0.0)\n M3K = ESEASK * F6PI / REAL( RHOSW( 2 ), 4 ) + TINY(0.0)\n\nC Calculate factors for converting 3rd moment emission rates into number\nC and 2nd moment emission rates. See Equations 7b and 7c of Binkowski &\nC Roselle (2003)\n FACTNUMJ = EXP( 4.5 * LNSGJ * LNSGJ ) / DGVJRH ** 3\n FACTNUMK = EXP( 4.5 * LNSGK * LNSGK ) / DGVKRH ** 3\n FACTM2J = EXP( 0.5 * LNSGJ * LNSGJ ) / DGVJRH\n FACTM2K = EXP( 0.5 * LNSGK * LNSGK ) / DGVKRH \n\nC Calculate mode-specific emission rates of particle number [1/s]\n SSOUTN( 1,C,R ) = M3J * FACTNUMJ\n SSOUTN( 2,C,R ) = M3K * FACTNUMK\n\nC Calculate mode-specific dry surface area emission rates [m2/m3/s]. \nC Subtract water from 3rd moment to obtain dry 3rd moment emission rate. \nC Calculate dry 2nd moment while holding the standard deviation constant.\nC Multiply dry 2nd moment by PI to obtain dry surface area emission rate.\n WET_M3J = M3J \n WET_M2J = M3J * FACTM2J\n DRY_M3J = WET_M3J - F6PI * SSOUTM( KH2O,C,R ) * 1.0E-06\n DRY_M2J = WET_M2J * ( DRY_M3J / WET_M3J ) ** TWO3\n\n WET_M3K = M3K\n WET_M2K = M3K * FACTM2K\n DRY_M3K = WET_M3K - F6PI * SSOUTM( KH2O+NSSSPC,C,R ) * 1.0E-06\n DRY_M2K = WET_M2K * ( DRY_M3K / WET_M3K ) ** TWO3\n\n SSOUTS( 1,C,R ) = PI * DRY_M2J\n SSOUTS( 2,C,R ) = PI * DRY_M2K\n\n! Propagate Number and Surface Area Scaling Factors back to Emissions\n! Module so that the sea spray emissions can be scaled appropriately \n SEA_FACTNUM( 1,C,R ) = 0.0\n SEA_FACTNUM( 2,C,R ) = FACTNUMJ\n SEA_FACTNUM( 3,C,R ) = FACTNUMK\n SEA_FACTSRF( 1,C,R ) = 0.0\n SEA_FACTSRF( 2,C,R ) = SSOUTS( 1,C,R ) / M3J\n SEA_FACTSRF( 3,C,R ) = SSOUTS( 2,C,R ) / M3K\n\nC Update the SSBF array, for writing the diagnostic sea-salt-emission file.\n IF ( SSEMDIAG .AND. .NOT. L_DESID_DIAG ) THEN\n V = 0\n DO N = 1, 2\n DO S = 1, NSSSPC\n IF ( S .EQ. KH2O .OR. SEA_SPC( S )%SPCFAC( N ) .GT. 0 ) THEN\n V = V + 1\n SSOUTD( V ) = SSOUTM( (N-1)*NSSSPC+S,C,R )\n END IF\n END DO\n END DO\n\n DO N = 1, 2\n V = V + 1\n SSOUTD( V ) = SSOUTN( N,C,R )\n END DO\n\n DO N = 1, 2\n V = V + 1\n SSOUTD( V ) = SSOUTS( N,C,R )\n END DO\n\n#ifdef mpas\n DO S = 1, NSSDIAG\n SSBF( S,C,R ) = SSBF( S,C,R ) + SSOUTD( S ) * cell_vol(c,1,1)\n & * FLOAT( TIME2SEC ( TSTEP( 2 ) ) )\n END DO\n#else\n AIRVOL = CELLVOL(C,R) / Met_Data%RJACM( C,R,1 )\n\n DO S = 1, NSSDIAG\n SSBF( S,C,R ) = SSBF( S,C,R ) + SSOUTD( S ) * AIRVOL\n & * FLOAT( TIME2SEC ( TSTEP( 2 ) ) )\n END DO\n#endif\n\n END IF ! SSEMDIAG\n\n END DO ! C\n END DO ! R\n\nC If last call this hour, write out the total sea-salt emissions [g/s].\nC Then reset the sea-salt emissions array and local write counter.\n#ifndef mpas\n IF ( SSEMDIAG .AND. .NOT. L_DESID_DIAG ) THEN\n\n#ifdef parallel_io\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n IF ( .NOT. IO_PE_INCLUSIVE ) THEN\n IF ( .NOT. OPEN3( CTM_DRY_DEP_1, FSREAD3, PNAME ) ) THEN\n XMSG = 'Could not open ' // TRIM( CTM_DRY_DEP_1 )\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END IF\n END IF\n#endif\n\n WSTEP = WSTEP + TIME2SEC( TSTEP( 2 ) )\n\n IF ( WSTEP .GE. TIME2SEC( TSTEP( 1 ) ) ) THEN\n IF ( .NOT. CURRSTEP( JDATE, JTIME, STDATE, STTIME, TSTEP( 1 ),\n & MDATE, MTIME ) ) THEN\n XMSG = 'Cannot get step date and time'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT3 )\n END IF\n CALL NEXTIME( MDATE, MTIME, TSTEP( 1 ) )\n DO V = 1, NSSDIAG\n DO R = 1, NROWS\n DO C = 1, NCOLS\n WRSS( C,R ) = SSBF( V,C,R ) / FLOAT( WSTEP )\n END DO\n END DO\n IF ( .NOT. WRITE3( CTM_SSEMIS_1, WRSS_SPC( V ),\n & MDATE, MTIME, WRSS ) ) THEN\n XMSG = 'Could not write ' // CTM_SSEMIS_1 // ' file'\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n END DO\n WRITE( LOGDEV, '( /5X, 3( A, :, 1X ), I8, \":\", I6.6 )' )\n & 'Timestep written to', CTM_SSEMIS_1,\n & 'for date and time', MDATE, MTIME\n WSTEP = 0\n SSBF = 0.0\n END IF\n\n END IF ! SSEMDIAG\n#endif\n\n RETURN\n \n END SUBROUTINE GET_SSEMIS\n\n END MODULE SSEMIS\n" }, { "path": "CCTM/src/emis/emis/STK_EMIS.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n MODULE STK_EMIS\n\nC-----------------------------------------------------------------------\nC Function: stack emissions by source from stack emissions file and\nC 3d point source emissions\n\nC Revision History:\nC 16 Jan 2007 J.Young: initial implementation\nC 16 Feb 2011 S.Roselle: replaced I/O API include files with UTILIO_DEFN\nC 30 Apr 2016 J.Young: add multiple fire source capability, in affiliation with\nC Yongtao Hu (Georgia Tech)\nC-----------------------------------------------------------------------\n\n USE UDTYPES, ONLY: RARRY1, CARRY1\n USE DESID_VARS\n\n IMPLICIT NONE\n\n INTEGER, ALLOCATABLE, SAVE :: NSRC_EMIS( : ) ! no. of pt sources\n INTEGER, ALLOCATABLE, SAVE :: NVARS_EMIS( : ) ! no. of species\n INTEGER, PARAMETER :: NVARS_FIRE = 1 ! default\n\n LOGICAL, ALLOCATABLE, SAVE :: FIREFLAG( : ) ! which is the fire file?\n\n TYPE( RARRY1 ), ALLOCATABLE, SAVE :: STKEMIS( : ) ! stack emissions [mol/s]\n TYPE( CARRY1 ), ALLOCATABLE, SAVE :: STKSPC( : ) ! emitted species names\n TYPE( RARRY1 ), ALLOCATABLE, SAVE :: FIREVAR( : ) ! fire variables, just H-Flux\n\n REAL, ALLOCATABLE, SAVE :: STKBUFF( : )\n\n INTEGER FGRPS\n\n CONTAINS\n\nC-----------------------------------------------------------------------\n\n FUNCTION STK_EMIS_INIT ( STKENAME, JDATE, JTIME ) RESULT ( SUCCESS )\n\n USE UTILIO_DEFN\n USE AERO_DATA, ONLY : MGPG, GPKG\n#ifdef mpas\n USE mio_module\n#endif\n\n IMPLICIT NONE\n\n CHARACTER( 16 ), INTENT( IN ) :: STKENAME( : ) ! stack groups emis file names\n INTEGER, INTENT( IN ) :: JDATE, JTIME\n LOGICAL SUCCESS\n\n INTEGER I, J, N, NGRPS, LEN1, LEN2, ISRM, X, loc_sdate,\n & loc_nsrcs, loc_nvars, loc\n integer :: loc_tflag(2), floc\n character (16), allocatable :: loc_vname(:), loc_units(:)\n\n INTEGER ASTAT\n CHARACTER( 96 ) :: XMSG = ' '\n CHARACTER( 16 ) :: PNAME = 'STK_EMIS_INIT'\n CHARACTER( 16 ) :: UNITSCK\n\n SUCCESS = .TRUE.\n\n NGRPS = SIZE( STKENAME )\n FGRPS = NGRPS\n\n ALLOCATE ( NSRC_EMIS( NGRPS ), STAT = ASTAT )\n CALL CHECKMEM( ASTAT, 'NSRC_EMIS', PNAME )\n\n ALLOCATE ( NVARS_EMIS( NGRPS ), STAT = ASTAT )\n CALL CHECKMEM( ASTAT, 'NVARS_EMIS', PNAME )\n\n ALLOCATE ( STKEMIS( NGRPS ), STAT = ASTAT )\n CALL CHECKMEM( ASTAT, 'STKEMIS', PNAME )\n\n ALLOCATE ( STKSPC( NGRPS ), STAT = ASTAT )\n CALL CHECKMEM( ASTAT, 'STKSPC', PNAME )\n\n ALLOCATE ( FIREFLAG( NGRPS ), STAT = ASTAT )\n CALL CHECKMEM( ASTAT, 'FIREFLAG', PNAME )\n FIREFLAG = .FALSE. ! array\n\n ALLOCATE ( FIREVAR( FGRPS ), STAT = ASTAT )\n CALL CHECKMEM( ASTAT, 'FIREVAR', PNAME )\n\n DO N = 1, NGRPS\n ISRM = MAP_PTtoISRM( N )\n\n#ifdef mpas\n floc = mio_search (STKENAME( N ))\n call mio_time_format_conversion (mio_file_data(floc)%timestamp(1), loc_tflag(1), loc_tflag(2))\n\n loc_sdate = loc_tflag(1)\n\n loc_nsrcs = mio_file_data(floc)%gl_nrows\n loc_nvars = mio_file_data(floc)%nvars\n\n allocate (loc_vname(loc_nvars), loc_units(loc_nvars), stat=astat)\n loc_vname = mio_file_data(floc)%var_name\n loc_units = mio_file_data(floc)%units\n#else\n\n IF ( .NOT. OPEN3( STKENAME( N ), FSREAD3, PNAME ) ) THEN\n XMSG = 'Could not open '// TRIM( STKENAME( N ) ) // ' file'\n CALL M3MESG( XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\n IF ( .NOT. DESC3( STKENAME( N ) ) ) THEN\n XMSG = 'Could not get ' // TRIM( STKENAME( N ) ) // ' file description'\n CALL M3MESG( XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\n ! Each file will use the default jdate, unless specified by the user \n ! that the file is a representative day file\n loc_sdate = JDATE\n IF ( DESID_STREAM_SYM_DATE( ISRM ) ) loc_sdate = SDATE3D\n\n loc_nsrcs = NROWS3D\n loc_nvars = NVARS3D\n\n allocate (loc_vname(loc_nvars), loc_units(loc_nvars), stat=astat)\n loc_vname = vname3d(1:loc_nvars)\n loc_units = units3d(1:loc_nvars)\n#endif\n\n DESID_STREAM_DATE( ISRM ) = loc_sdate\n\n NSRC_EMIS( N ) = loc_nsrcs\n NVARS_EMIS( N ) = loc_nvars\n LEN1 = NSRC_EMIS( N )\n LEN2 = NVARS_EMIS( N )\n DO I = 1, LEN2\n ! Use HFLUX to determine Fire sources in PT3D_DEFN via\n ! the FIRENAM variable\n IF ( loc_vname( I ) .EQ. 'HFLUX' ) THEN\n FIREFLAG( N ) = .TRUE.\n DESID_STREAM_FIRE( ISRM ) = .TRUE.\n END IF\n END DO\n IF ( FIREFLAG( N ) ) THEN ! subtract off 'HFLUX'\n LEN2 = LEN2 - NVARS_FIRE\n NVARS_EMIS( N ) = LEN2\n END IF\n\n STKEMIS( N )%LEN = LEN1\n ALLOCATE ( STKEMIS( N )%ARRY( LEN1 ), STAT = ASTAT )\n CALL CHECKMEM( ASTAT, 'STKEMIS', PNAME )\n STKEMIS( N )%ARRY = 0.0 ! array\n\n DESID_EMVAR( ISRM )%LEN = LEN2\n ALLOCATE ( DESID_EMVAR( ISRM )%ARRY( LEN2 ), STAT = ASTAT )\n ALLOCATE ( DESID_EMVAR( ISRM )%UNITS( LEN2 ), STAT = ASTAT )\n CALL CHECKMEM( ASTAT, 'DESID_EMVAR', PNAME )\n\n IF ( FIREFLAG( N ) ) THEN ! subtract and save off 'HFLUX'\n ALLOCATE ( FIREVAR( N )%ARRY( LEN1 ), STAT = ASTAT )\n CALL CHECKMEM( ASTAT, 'FIREVAR', PNAME )\n I = 0\n DO J = 1, loc_nvars\n IF ( loc_vname( J ) .NE. 'HFLUX' ) THEN\n I = I + 1\n DESID_EMVAR( ISRM )%ARRY( I ) = loc_vname( J )\n DESID_EMVAR( ISRM )%UNITS( I )= loc_units( J )\n END IF\n END DO\n FIREVAR( N )%LEN = LEN1\n ELSE\n DO J = 1, DESID_EMVAR( ISRM )%LEN\n DESID_EMVAR( ISRM )%ARRY( J ) = loc_vname( J )\n DESID_EMVAR( ISRM )%UNITS( J )= loc_units( J )\n END DO\n END IF\n\n deallocate (loc_vname, loc_units)\n END DO\n\n ALLOCATE( STKBUFF( MAXVAL( NSRC_EMIS(:) ) ) )\n CALL CHECKMEM( ASTAT, 'NSRC_EMIS', PNAME )\n\n RETURN\n\n END FUNCTION STK_EMIS_INIT\n\n END MODULE STK_EMIS\n" }, { "path": "CCTM/src/emis/emis/STK_PRMS.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n MODULE STK_PRMS\n\nC-----------------------------------------------------------------------\nC Function: stack parameters from stack groups file\n\nC Revision History:\nC 29 Dec 2006 J.Young: initial implementation\nC 16 Feb 2011 S.Roselle: replaced I/O API include files with UTILIO_DEFN\nC 3 Nov 2011 D.Wong: fix source location within grid determination bug\nC 30 Apr 2016 J.Young: add multiple fire source capability, in affiliation with\nC Yongtao Hu (Georgia Tech)\nC 01 Feb 2019 D.Wong: Implemented centralized I/O approach and moved some of\nC data declaration in this module to stack_group_data_module \nC (model_data_module.f) to avoid cyclic dependence\nC-----------------------------------------------------------------------\n\n USE UDTYPES, ONLY: IARRY1, RARRY1\n\n IMPLICIT NONE\n\n INTEGER, ALLOCATABLE, SAVE :: MY_NSRC( : )\n\n TYPE( IARRY1 ), ALLOCATABLE, SAVE :: SOURCE ( : ) ! my stack source index\n TYPE( IARRY1 ), ALLOCATABLE, SAVE :: MY_STKCOL ( : )\n TYPE( IARRY1 ), ALLOCATABLE, SAVE :: MY_STKROW ( : )\n TYPE( IARRY1 ), ALLOCATABLE, SAVE :: MY_STKID ( : )\n TYPE( RARRY1 ), ALLOCATABLE, SAVE :: MY_XLOCA ( : ) ! X-location [grid coord]\n TYPE( RARRY1 ), ALLOCATABLE, SAVE :: MY_YLOCA ( : ) ! Y-location [grid coord]\n INTEGER, ALLOCATABLE, SAVE :: MY_STRT_SRC( : )\n INTEGER, ALLOCATABLE, SAVE :: MY_END_SRC ( : )\n REAL, ALLOCATABLE, SAVE :: MY_STKBUFF( : )\n INTEGER, ALLOCATABLE, SAVE :: MY_COLBUFF( : )\n INTEGER, ALLOCATABLE, SAVE :: MY_ROWBUFF( : )\n\n integer, allocatable :: my_nsrc_index(:,:) ! point source location in the file belong to a processor\n integer, allocatable :: my_nsrc_mesh_index(:,:) ! point source position w.r.t. sub-domain mesh point sequence\n real, allocatable :: my_nsrc_pressure(:,:,:)\n\n CONTAINS\n\n FUNCTION STK_PRMS_INIT ( STKPRMS ) RESULT ( SUCCESS )\n\n USE HGRD_DEFN ! horizontal domain specifications\n USE UTILIO_DEFN\n USE stack_group_data_module\n USE RUNTIME_VARS\n\n IMPLICIT NONE\n\n CHARACTER( 16 ), INTENT( IN ) :: STKPRMS( : ) ! stack groups file names\n LOGICAL SUCCESS\n\n INTEGER, ALLOCATABLE :: LOC_MAP( : )\n\n INTEGER SCOL, ECOL, SROW, EROW\n INTEGER C, R, STRT_SRC, END_SRC, MY_DELTA, N, NGRPS\n REAL X, Y\n\n INTEGER M, S, SRC, V, ASTAT\n CHARACTER( 300 ) :: XMSG = ' '\n CHARACTER( 16 ) :: PNAME = 'STK_PRMS_INIT'\n\nC-----------------------------------------------------------------------\n\n SUCCESS = .TRUE.\n\n NGRPS = SIZE( STKPRMS )\n\n ALLOCATE ( MY_NSRC( NGRPS ), STAT = ASTAT )\n CALL CHECKMEM( ASTAT, 'MY_NSRC', PNAME )\n\n ALLOCATE ( SOURCE( NGRPS ), STAT = ASTAT )\n CALL CHECKMEM( ASTAT, 'SOURCE', PNAME )\n\n ALLOCATE ( MY_STKCOL( NGRPS ), STAT = ASTAT )\n CALL CHECKMEM( ASTAT, 'MY_STKCOL', PNAME )\n\n ALLOCATE ( MY_STKROW( NGRPS ), STAT = ASTAT )\n CALL CHECKMEM( ASTAT, 'MY_STKROW', PNAME )\n\n ALLOCATE ( MY_STKID( NGRPS ), STAT = ASTAT )\n CALL CHECKMEM( ASTAT, 'MY_STKID', PNAME )\n\n ALLOCATE ( MY_XLOCA( NGRPS ), STAT = ASTAT )\n CALL CHECKMEM( ASTAT, 'MY_XLOCA', PNAME )\n\n ALLOCATE ( MY_YLOCA( NGRPS ), STAT = ASTAT )\n CALL CHECKMEM( ASTAT, 'MY_YLOCA', PNAME )\n\n ALLOCATE ( MY_STRT_SRC( NGRPS ), STAT = ASTAT )\n CALL CHECKMEM( ASTAT, 'MY_STRT_SRC', PNAME )\n\n ALLOCATE ( MY_END_SRC( NGRPS ), STAT = ASTAT )\n CALL CHECKMEM( ASTAT, 'MY_END_SRC', PNAME )\n\n ALLOCATE ( STKDIAM( NGRPS ), STAT = ASTAT )\n CALL CHECKMEM( ASTAT, 'STKDIAM', PNAME )\n\n ALLOCATE ( STKHT( NGRPS ), STAT = ASTAT )\n CALL CHECKMEM( ASTAT, 'STKHT', PNAME )\n\n ALLOCATE ( STKTK( NGRPS ), STAT = ASTAT )\n CALL CHECKMEM( ASTAT, 'STKTK', PNAME )\n\n ALLOCATE ( STKVEL( NGRPS ), STAT = ASTAT )\n CALL CHECKMEM( ASTAT, 'STKVEL', PNAME )\n\n ALLOCATE ( ACRES_BURNED( NGRPS ), STAT = ASTAT )\n CALL CHECKMEM( ASTAT, 'ACRES_BURNED', PNAME )\n\n MY_NSRC = 0\n#ifndef mpas\n M = MYPE + 1\n SCOL = COLSX_PE( 1,M ); ECOL = COLSX_PE( 2,M )\n SROW = ROWSX_PE( 1,M ); EROW = ROWSX_PE( 2,M )\n\n DO N = 1, NGRPS\n\n! IF ( .NOT. OPEN3( STKPRMS( N ), FSREAD3, PNAME ) ) THEN\n! XMSG = 'Could not open '// TRIM( STKPRMS( N ) ) // ' file'\n! CALL M3MESG( XMSG )\n! SUCCESS = .FALSE.; RETURN\n! END IF\n\n! IF ( .NOT. DESC3( STKPRMS( N ) ) ) THEN\n! XMSG = 'Could not get ' // TRIM( STKPRMS( N ) ) // ' file description'\n! CALL M3MESG( XMSG )\n! SUCCESS = .FALSE.; RETURN\n! END IF\n\n ALLOCATE ( LOC_MAP( NSRC( N ) ), STAT = ASTAT )\n CALL CHECKMEM( ASTAT, 'LOC_MAP', PNAME )\n\n SOURCE( N )%LEN = NSRC( N )\n ALLOCATE ( SOURCE( N )%ARRY( NSRC( N ) ), STAT = ASTAT )\n CALL CHECKMEM( ASTAT, 'SOURCE', PNAME )\n\n MY_STKCOL( N )%LEN = NSRC( N )\n ALLOCATE ( MY_STKCOL( N )%ARRY( NSRC( N ) ), STAT = ASTAT )\n CALL CHECKMEM( ASTAT, 'MY_STKCOL', PNAME )\n\n MY_STKROW( N )%LEN = NSRC( N )\n ALLOCATE ( MY_STKROW( N )%ARRY( NSRC( N ) ), STAT = ASTAT )\n CALL CHECKMEM( ASTAT, 'MY_STKROW', PNAME )\n\n MY_STKID( N )%LEN = NSRC( N )\n ALLOCATE ( MY_STKID( N )%ARRY( NSRC( N ) ), STAT = ASTAT )\n CALL CHECKMEM( ASTAT, 'MY_STKID', PNAME )\n\n MY_NSRC( N ) = 0\n STRT_SRC = 0; END_SRC = 0\n DO S = 1, NSRC( N )\n X = ( XLOCA( S, N ) - REAL( XORIG_GD, 4 ) ) / REAL( XCELL_GD, 4 )\n IF ( X .GE. 0.0 ) THEN\n C = 1 + INT( X )\n ELSE\n C = -1 - INT( -X )\n END IF\n IF ( C .GE. SCOL .AND. C .LE. ECOL ) THEN\n Y = ( YLOCA( S, N ) - REAL( YORIG_GD, 4 ) ) / REAL( YCELL_GD, 4 )\n IF ( Y .GE. 0.0 ) THEN\n R = 1 + INT( Y )\n ELSE\n R = -1 - INT( -Y )\n END IF\n IF ( R .GE. SROW .AND. R .LE. EROW ) THEN\n IF ( STRT_SRC .LE. 0 ) STRT_SRC = S\n END_SRC = S\n MY_NSRC( N ) = MY_NSRC( N ) + 1\n LOC_MAP( MY_NSRC( N ) ) = S\n SOURCE( N )%ARRY( MY_NSRC( N ) ) = S - STRT_SRC + 1 !**\n MY_STKCOL( N )%ARRY( MY_NSRC( N ) ) = C - SCOL + 1\n MY_STKROW( N )%ARRY( MY_NSRC( N ) ) = R - SROW + 1\n MY_STKID( N )%ARRY( MY_NSRC( N ) ) = STKID( S, N )\n END IF\n END IF\n END DO\n \nC** SOURCE is the mapping from STKEMIS read by INTERPX starting at one.\nC INTERPX reads a contiguous set from MY_STRT_SRC to MY_END_SRC into STKEMIS.\nC So MY_STRT_SRC maps into the first index of STKEMIS.\nC SOURCE must map skips in data between MY_STRT_SRC and MY_END_SRC.\nC SOURCE maps STKEMIS read from stk emis file to local STKEM in GET_PT3D_EMIS.\n\n MY_STRT_SRC( N ) = STRT_SRC\n MY_END_SRC( N ) = END_SRC\n MY_DELTA = END_SRC - STRT_SRC + 1\n\n STKDIAM( N )%LEN = MY_DELTA\n ALLOCATE ( STKDIAM( N )%ARRY( MY_DELTA ), STAT = ASTAT )\n CALL CHECKMEM( ASTAT, 'STKDIAM', PNAME )\n\n STKHT( N )%LEN = MY_DELTA\n ALLOCATE ( STKHT( N )%ARRY( MY_DELTA ), STAT = ASTAT )\n CALL CHECKMEM( ASTAT, 'STKHT', PNAME )\n\n STKTK( N )%LEN = MY_DELTA\n ALLOCATE ( STKTK( N )%ARRY( MY_DELTA ), STAT = ASTAT )\n CALL CHECKMEM( ASTAT, 'STKTK', PNAME )\n\n STKVEL( N )%LEN = MY_DELTA\n ALLOCATE ( STKVEL( N )%ARRY( MY_DELTA ), STAT = ASTAT )\n CALL CHECKMEM( ASTAT, 'STKVEL', PNAME )\n\n IF ( FIRE_ON( N ) ) THEN\n ACRES_BURNED( N )%LEN = MY_DELTA\n ALLOCATE ( ACRES_BURNED( N )%ARRY( MY_DELTA ), STAT = ASTAT )\n CALL CHECKMEM( ASTAT, 'ACRES_BURNED', PNAME )\n END IF\n\n MY_XLOCA( N )%LEN = MY_NSRC( N )\n ALLOCATE ( MY_XLOCA( N )%ARRY( MY_NSRC( N ) ), STAT = ASTAT )\n CALL CHECKMEM( ASTAT, 'MY_XLOCA', PNAME )\n MY_XLOCA( N )%ARRY = 0.0 ! array\n\n MY_YLOCA( N )%LEN = MY_NSRC( N )\n ALLOCATE ( MY_YLOCA( N )%ARRY( MY_NSRC( N ) ), STAT = ASTAT )\n CALL CHECKMEM( ASTAT, 'MY_YLOCA', PNAME )\n MY_YLOCA( N )%ARRY = 0.0 ! array\n\n IF ( MY_NSRC( N ) .LE. 0 ) THEN\n\n MY_DELTA = 0\n\n MY_XLOCA( N )%LEN = MY_NSRC( N )\n MY_YLOCA( N )%LEN = MY_NSRC( N )\n\n END IF ! MY_NSRC( N ) .GT. 0\n \n DO S = 1, MY_NSRC( N )\n SRC = LOC_MAP( S )\n MY_XLOCA( N )%ARRY( S ) = XLOCA( SRC, N )\n MY_YLOCA( N )%ARRY( S ) = YLOCA( SRC, N )\n END DO\n\n DEALLOCATE ( LOC_MAP )\n \n WRITE( XMSG, '(A,I3,A,I7)'), \n & 'Number of Point Sources from ',N,' equals ', MY_NSRC(N)\n CALL LOG_MESSAGE( LOGDEV, XMSG )\n\n END DO ! NGRPS\n\n WRITE( XMSG, '(A,I7)'), \n & 'Number of Total Point Sources on this sub-domain equals ', SUM(MY_NSRC(:))\n CALL LOG_MESSAGE( LOGDEV, XMSG )\n CALL LOG_MESSAGE( LOGDEV, '' )\n XMSG = 'Note: Large numbers of point sources (e.g. > 100,000 on any sub-domain '//\n & 'processor) will cause noticeable runtime penalties. Users are advised to '//\n & 'limit the maximum number of point sources on any sub-domain to below this '//\n & 'threshold.'\n CALL LOG_MESSAGE( LOGDEV, XMSG )\n\n ALLOCATE( MY_STKBUFF( MAXVAL( MY_NSRC(:) ) ) )\n CALL CHECKMEM( ASTAT, 'MY_STKBUFF', PNAME )\n ALLOCATE( MY_COLBUFF( MAXVAL( MY_NSRC(:) ) ) )\n CALL CHECKMEM( ASTAT, 'MY_COLBUFF', PNAME )\n ALLOCATE( MY_ROWBUFF( MAXVAL( MY_NSRC(:) ) ) )\n CALL CHECKMEM( ASTAT, 'MY_ROWBUFF', PNAME )\n#endif\n \n RETURN\n\n END FUNCTION STK_PRMS_INIT\n\n END MODULE STK_PRMS\n" }, { "path": "CCTM/src/emis/emis/UDTYPES.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n MODULE UDTYPES\n\nC-----------------------------------------------------------------------\nC Function: User-defined types\n\nC Revision History:\nC 21 Nov 2007 J.Young: initial implementation\nC 22 Dec 2023 C.Nolte: changed from pointers to allocatable arrays,\nC removed unused types\nC-----------------------------------------------------------------------\n\n IMPLICIT NONE\n\n TYPE :: IARRY1\n INTEGER, ALLOCATABLE :: ARRY( : )\n INTEGER :: LEN\n END TYPE IARRY1\n\n TYPE :: RARRY1\n REAL, ALLOCATABLE :: ARRY( : )\n INTEGER :: LEN\n END TYPE RARRY1\n\n TYPE :: CARRY1\n CHARACTER( 16 ), ALLOCATABLE :: ARRY( : )\n CHARACTER( 16 ), ALLOCATABLE :: UNITS( : )\n INTEGER :: LEN\n END TYPE CARRY1\n\n TYPE :: LARRY1\n LOGICAL, ALLOCATABLE :: ARRY( : )\n INTEGER :: LEN\n END TYPE LARRY1\n\n TYPE :: PTMET_TYPE\n INTEGER :: LEN1, LEN2\nC Allocatable per-source meteorology variables:\n REAL, ALLOCATABLE :: HFX( : ) ! sensible heat flux [watts/m**2]\n REAL, ALLOCATABLE :: HMIX( : ) ! mixing height [m]\n REAL, ALLOCATABLE :: TSFC( : ) ! surface temperature [degK]\n REAL, ALLOCATABLE :: USTAR( : ) ! friction velocity [m/s]\n REAL, ALLOCATABLE :: PRSFC( : ) ! surface pressure [Pa]\nC Allocatable temporary per-layer variables from 1:EMLAYS:\n REAL, ALLOCATABLE :: WSPD( : ) ! wind speed [m/s]\n REAL, ALLOCATABLE :: DTHDZ( : ) ! virtual pot temp gradient [degK/m]\nC Allocatable temporary per-layer variables from 0:EMLAYS:\n REAL, ALLOCATABLE :: PRESF( : ) ! pressure at full-levels\n REAL, ALLOCATABLE :: ZZF( : ) ! per src elevn at full-levels\nC Allocatable per-source and per-layer meteorology variables:\nC (Dimensioned by layers, then number of sources)\n REAL, ALLOCATABLE :: DDZF ( :,: ) ! 1/( ZF(L) - ZF(L-1) )\n REAL, ALLOCATABLE :: PRES ( :,: ) ! pressure [Pa]\n REAL, ALLOCATABLE :: DENS ( :,: ) ! air density [kg/m**3]\n REAL, ALLOCATABLE :: QV ( :,: ) ! moisture mixing ratio [kg/kg]\n REAL, ALLOCATABLE :: TA ( :,: ) ! temperature [degK]\n REAL, ALLOCATABLE :: UWIND( :,: ) ! x-component wind speed [m/s]\n REAL, ALLOCATABLE :: VWIND( :,: ) ! y-component wind speed [m/s]\n REAL, ALLOCATABLE :: ZF ( :,: ) ! full layer height [m]\n REAL, ALLOCATABLE :: ZH ( :,: ) ! mid layer height [m]\n REAL, ALLOCATABLE :: ZSTK ( :,: ) ! ZF( L,S ) - STKHT(S) [m]\n END TYPE PTMET_TYPE\n\n END MODULE UDTYPES\n\n" }, { "path": "CCTM/src/emis/emis/biog_emis_param_module.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n!------------------------------------------------------------------------!\n! This module contains key component from BIOG_EMIS.F to facilitate \n! centralized I/O implementation by avoiding cyclic data dependence\n\n! Revision History:\n! 01 Feb 2019 D.Wong initial implementation, \n!------------------------------------------------------------------------!\n\n module biog_emis_param_module\n\n! Former include file B3V12DIMS3.EXT\n! dimensioning parameters for BEIS v3.12 \n\n INTEGER, PARAMETER :: NSEF = 35 ! # of em class in Summer emis factor table\n INTEGER, PARAMETER :: NSEASONS = 2 ! number of seasons modeled (2 for now)\n INTEGER, PARAMETER :: NLAI = 3 ! no. of different LAIs (ISOP and MBO)\n INTEGER, PARAMETER :: NSUMMER = 1 ! summer flag\n INTEGER, PARAMETER :: NWINTER = 2 ! winter flag\n\n! Names for BEIS species, emitted model species\n! DO NOT CHANGE THE ORDER OF THESE ARRAYS\n\n CHARACTER( 5 ), PARAMETER :: BIOTYPES( NSEF ) =\n & (/ 'ISOP ', 'MBO ', 'METH ',\n & 'APIN ', 'BPIN ', 'D3CAR', 'DLIM ',\n & 'CAMPH', 'MYRC ', 'ATERP', 'BPHE ',\n & 'SABI ', 'PCYM ', 'OCIM ', 'ATHU ',\n & 'TRPO ', 'GTERP', 'ETHE ', 'PROPE',\n & 'ETHO ', 'ACET ', 'HEXA ', 'HEXE ',\n & 'HEXY ', 'FORM ', 'ACTAL', 'BUTE ',\n & 'ETHA ', 'FORAC', 'ACTAC', 'BUTO ',\n & 'CO ', 'ORVOC', 'SESQT',\n & 'NO ' /)\n\n CHARACTER( 5 ), PARAMETER :: LAITYPES( NLAI ) =\n & (/ 'ISOP ', 'MBO ', 'METH ' /)\n\n CHARACTER( 1 ), PARAMETER :: SEASON( NSEASONS ) =\n & (/ 'S', 'W' /)\n\n end module biog_emis_param_module\n" }, { "path": "CCTM/src/emis/emis/desid_module.F", "content": "!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n MODULE DESID_MODULE\n\nC-----------------------------------------------------------------------\nC Function: Detailed Emissions, Scaling, Isolation and Diagnostic Module\nC (DESID) for CMAQ. \n\nC Revision History:\nC 28 Jul 2006 J.Young: initial implementation\nC 18 Aug 2007 J.Young: move beis part to separate module; add plume rise\nC 23 Sep 2009 B.Hutzell: modified algorithm that loads gas emissions from point\nC sources into VDEMIS array to enable multi-use of an emission species\nC 26 Jan 2010 J.Young: fix bug overwriting point source layer 1 NH3; inline rdemis\nC 07 Jan 2011 B.Hutzell: updated for namelist definition of model species\nC 16 Feb 2011 S.Roselle: replaced I/O API include files with UTILIO_DEFN;\nC removed deprecated TRIMLEN\nC 6 Apr 2011 J.Young, R.Pinder: add lightning NO emissions capability\nC 11 May 2011 D.Wong: incorporated twoway model implementation\nC 5 Jun 2012 J.Bash: Added support for NH3 bidirectional exchange. Fertilizer\nC sector emissions are subtracted from the total NH3 emissions\nC if the CTM_ABFLUX flag is set\nC 07 Nov 14 J.Bash: Updated for the ASX_DATA_MOD shared data module. \nC 24 Feb 16 B.Murphy: Generalize scaling of point source species based on\nC mapping model species, not point source species\nC 03 Mar 16 B.Gantt/G. Sarwar: incorporated halogen emissions\nC 08 Aug 2016 B.Murphy: Neglect fire emissions for pcVOC\nC 12 Jan 2017 B.Murphy: Remove warning when model species are not\nC read in correctly. Invoke error and model stop when model \nC species are not found on any emission file\nC 16 NOv 2018 S.Napelenok: ISAM implementation\nC 01 Feb 2019 D.Wong: Implemented centralized I/O approach, removed all MY_N\nC clauses, replaced IOS with LOGDEV when calling GET_ENV\nC 15 May 2019 D.Wong: Put the check for using marine gas emission or not in RUNTIME_VAR.F\nC 4 Oct 2019 D.Wong: fixed the time advancement, NEXTIME, for a multi-day run in subroutine\nC GRIDEMIS\nC 22 Nov 2019 F. Sidi: Re-introduced date override variable for representative\nC Day Emissions\nC 16 Dec 2019 S.L.Napelenok: ddm-3d implementation for version 5.3.1\nC 6 Jul 2021 D.Wong: fixed time marching through a day line during simulation w.r.t.\nC representative Day Emissions in subroutine GR3D\nC-----------------------------------------------------------------------\n USE RUNTIME_VARS\n USE GRID_CONF ! horizontal & vertical domain specifications \n USE DESID_VARS\n USE DESID_UTIL\n USE VDIFF_MAP, ONLY : N_SPC_DIFF\n USE UTILIO_DEFN\n\n IMPLICIT NONE\n\n PUBLIC DESID_INIT, DESID_DRIVER\n \n PRIVATE\n \n CONTAINS\n\nC-----------------------------------------------------------------------\n FUNCTION DESID_INIT ( JDATE, JTIME, TSTEP ) RESULT ( SUCCESS )\n\n USE CGRID_SPCS ! CGRID mechanism species\n USE BEIS_DEFN ! biogenic emissions\n USE MEGAN_DEFN ! biogenic emissions from MEGAN\n USE MGEMIS ! marine gas emissions\n USE LTNG_DEFN ! NO emissions from lightning strikes\n USE PT3D_DEFN ! plume rise emissions\n USE UTILIO_DEFN ! I/O API\n USE AERO_EMIS ! inherits GRID_CONF\n !USE AERO_DATA ! access subroutine map_pmemis\n USE CENTRALIZED_IO_MODULE, only : interpolate_var\n USE ASX_DATA_MOD, only: MET_DATA\n\n#ifdef isam\n USE SA_DEFN, ONLY : SA_VDEMIS_DIFF, NTAG_SA, SA_VDEMIS_CONV, NSPC_SA,\n & SA_VDEMIS_CONV_OTHER\n#endif\n\n#ifdef sens\n USE DDM3D_DEFN, ONLY: NP, NPMAX, SVDEMIS_DIFF\n#endif\n\n#ifdef mpas\n USE COUPLER_MODULE, ONLY : cell_thickness, cell_vol, MPAS_CELL_AREA => CELL_AREA\n#endif\n IMPLICIT NONE\n\nC Includes:\n INCLUDE SUBST_CONST ! constants\n\nC Arguments:\n INTEGER, INTENT( IN ) :: JDATE, JTIME, TSTEP ! TSTEP is output time step (HHMMSS)\n LOGICAL :: SUCCESS\n\nC Parameters:\n \nC Local Variables:\n\n CHARACTER( 16 ) :: PNAME = 'DESID_INIT'\n CHARACTER( 80 ) :: VARDESC ! env variable description\n CHARACTER( 120 ) :: XMSG = ' '\n INTEGER V, L, STATUS, ISRM\n\nC-----------------------------------------------------------------------\n\n SUCCESS = .TRUE.\n\n ! Initialize Emission Variable Molecular Weights\n CALL INIT_DESID_EMVAR_MW()\n\n ! Define Projected Grid Cell Areas\n ALLOCATE( CELLAREA( NCOLS,NROWS ),STAT=STATUS )\n CALL CHECKMEM( STATUS, 'CELLAREA', PNAME )\n ALLOCATE( CELLHGT( NCOLS, NROWS, NLAYS ),STAT=STATUS )\n CALL CHECKMEM( STATUS, 'CELLHGT', PNAME )\n ALLOCATE( CELLVOL( NCOLS,NROWS,NLAYS ),STAT=STATUS )\n CALL CHECKMEM( STATUS, 'CELLVOL', PNAME )\n#ifdef mpas\n CELLAREA(:,:) = MPAS_CELL_AREA(:,:)\n CELLHGT( :,1,: ) = cell_thickness(:,1,:)\n CELLVOL( :,1,: ) = cell_vol(:,1,:)\n#else\n IF ( GDTYP_GD .EQ. LATGRD3 ) THEN\n DX1 = DG2M * XCELL_GD ! in m.\n DX2 = DG2M * YCELL_GD\n & * COS( PI180*( YORIG_GD + \n & YCELL_GD*FLOAT( GL_NROWS/2 )))! in m.\n ELSE\n DX1 = XCELL_GD ! in m.\n DX2 = YCELL_GD ! in m.\n END IF\n CELLAREA(:,:) = REAL( DX1 * DX2, 4 )\n ! Get height of grid cell in each layer in sigma coordinates\n ! Multiply by grid area [m2] to obtain grid volume\n\n !cellhgt = Met_Data%DZF ! for spatially varying height\n\n DO L = 1, NLAYS\n CELLHGT( :,:,L ) = X3FACE_GD( L ) - X3FACE_GD( L-1 )\n CELLVOL( :,:,L ) = CELLHGT( :,:,L ) * CELLAREA(:,:)\n END DO\n#endif\n \n ! REMINDER: CELLAREA is projected grid cell area (e.g. 12 x 12\n ! km^2). To get real area on the Earth for a conformal grid, you\n ! should divide CELLAREA by the MAP SCALE FACTOR squared, typically\n ! stored in CMAQ as MSFX2\n\nC Retrieve Number of Emission Streams of Various Types (sectors)\n CALL DESID_INIT_STREAMS( JDATE, JTIME )\n IF ( DESID_N_SRM .EQ. 0 ) THEN \n XMSG = 'No Emissions Streams Have Been Selected.'\n CALL M3WARN ( PNAME, JDATE, JTIME, XMSG )\n SUCCESS = .TRUE.; RETURN\n END IF\n\nC Open Area Emissions files\n CALL DESID_OPEN_GR3D ( JDATE, JTIME )\n\nC Get number of emissions layers\n IF ( DESID_MAXLAYS .LE. 0 ) THEN\n ! Find The Largest Gridded Emission Layer And Let That be\n ! the initial top.\n DESID_LAYS = MAXVAL( DESID_GRID_LAYS(:) ) \n \n ! If there are 3D (inline point or Lightning) sources, \n ! revise the top to be the model top.\n IF ( NPTGRPS .GT. 0 .OR. LTNG_NO ) DESID_LAYS = NLAYS\n\n ! Make sure the top is not greater than the model top\n DESID_LAYS = MAX( MIN( DESID_LAYS, NLAYS ), 1 )\n ELSE\n ! Make sure the top is not greater than the model top\n DESID_LAYS = MIN( DESID_MAXLAYS, NLAYS )\n\n END IF\n\n WRITE( LOGDEV,1009 ) DESID_LAYS, NLAYS\n1009 FORMAT( 5X, 'Number of Emissions Layers: ', I3\n & / 5X, 'out of total Number of Model Layers:', I3 )\n\n\nC Initialize 3D Point Source Emissions \n CALL LOG_SUBHEADING( LOGDEV, 'Initialize Point Emissions' )\n IF ( .NOT. PT3D_INIT( JDATE, JTIME, TSTEP ) ) THEN\n XMSG = 'Failure initializing plume rise emissions module'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n IF ( BIOGEMIS_MEGAN ) THEN\nC Initialize Online Biogenic Emissions, MEGAN\n CALL LOG_SUBHEADING( LOGDEV, 'Initialize BEIS Biogenic Emissions' )\n IF ( .NOT. MEGAN_INIT( JDATE, JTIME, TSTEP ) ) THEN\n XMSG = 'Failure initializing biogenics emissions module'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END IF\n IF ( BIOGEMIS_BEIS ) THEN \nC Initialize Online Biogenic Emissions, BEIS\n CALL LOG_SUBHEADING( LOGDEV, 'Initialize MEGAN Biogenic Emissions' )\n IF ( .NOT. BEIS_INIT( JDATE, JTIME, TSTEP ) ) THEN\n XMSG = 'Failure initializing biogenics emissions module'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END IF\nC Initialize Online Marine Gas Emissions\n CALL LOG_SUBHEADING( LOGDEV, 'Initialize Marine Gas Emissions' )\n IF ( .NOT. MGEMIS_INIT( JDATE, JTIME, TSTEP ) ) THEN\n XMSG = 'Failure initializing marine gas emissions module'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\nC Initialize Online Lightning NOx Emissions\n CALL LOG_SUBHEADING( LOGDEV, 'Initialize Lightning NO Emissions' )\n IF ( .NOT. LTNG_INIT( JDATE, JTIME, TSTEP ) ) THEN\n XMSG = 'Failure initializing lightning emissions module'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\nC Initialize Aerosol Emissions \n CALL LOG_SUBHEADING( LOGDEV,'Process Aerosol Emissions' )\n IF ( .NOT. AERO_EMIS_INIT( JDATE, JTIME, TSTEP ) ) THEN\n XMSG = 'Failure initializing aerosol emissions module'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\nC Map the Emission Variables Available on the Input Files To the\nC CMAQ Species Identified by the User via the Namelists and Stop the model\nC or Print Warnings if Mistakes Are Made.\n\n CALL DESID_PROCESS_RULES( JDATE, JTIME )\n CALL DESID_INIT_DIAG\n#ifndef mpas\n IF ( IO_PE_INCLUSIVE ) CALL DESID_OPEN_DIAG( JDATE, JTIME, TSTEP )\n#else\n CALL DESID_OPEN_DIAG( JDATE, JTIME, TSTEP )\n#endif\n\nC Allocate Space for Master Emissions Computation\n ALLOCATE ( VDEMIS_DIFF( N_SPC_DIFF,DESID_LAYS,NCOLS,NROWS ),STAT = STATUS )\n IF ( STATUS .NE. 0 ) THEN\n XMSG = 'VDEMIS_DIFF memory allocation failed'\n CALL M3WARN ( PNAME, JDATE, JTIME, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\n#ifdef isam\n ALLOCATE ( SA_VDEMIS_DIFF( NSPC_SA, DESID_LAYS,NCOLS,NROWS, NTAG_SA ),\n & SA_VDEMIS_CONV( N_SPC_DIFF,DESID_LAYS,NCOLS,NROWS, NTAG_SA ), \n & SA_VDEMIS_CONV_OTHER( N_SPC_DIFF,DESID_LAYS,NCOLS,NROWS ), \n & STAT = STATUS )\n IF ( STATUS .NE. 0 ) THEN\n XMSG = 'SA_VDEMIS_DIFF memory allocation failed'\n CALL M3WARN ( PNAME, JDATE, JTIME, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n#endif\n\n#ifdef sens\n ALLOCATE ( SVDEMIS_DIFF( N_SPC_DIFF,DESID_LAYS,NCOLS,NROWS,NPMAX ),STAT = STATUS )\n IF ( STATUS .NE. 0 ) THEN\n XMSG = 'SVDEMIS_DIFF memory allocation failed'\n CALL M3WARN ( PNAME, JDATE, JTIME, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n#endif\n\nC Return From Initialization\n SUCCESS = .TRUE.; RETURN\n\n END FUNCTION DESID_INIT\n\n!-----------------------------------------------------------------------\n SUBROUTINE DESID_DRIVER ( JDATE, JTIME, TSTEP, CGRID )\n!-----------------------------------------------------------------------\n! DESID_DRIVER controls whether DESID_GET_EMIS will be \n! executed to process emissions for input back to vdiff or if \n! it is being run in diagnostic mode to populate DESID diagnostic\n! output files. \n! \n! In typical operation, emissions used by CMAQ are calculated at \n! 1/2 time step before the output time step, meaning that any\n! diagnostics output using these values would be quantitatively \n! inconsistent with the emissions inputs, which are usually\n! tabulated at the output time step (e.g., hourly). By allowing\n! DESID_GET_EMIS to be called in diagnostic mode, with\n! L_DESID_DIAG = .TRUE., DESID can recalculate emissions at\n! exactly the the output time step and populate diagnostic output\n! files with these values. These values are not actually used for\n! emissions calculations within CMAQ. \n!-----------------------------------------------------------------------\n\n USE UTILIO_DEFN\n USE centralized_io_module\n#ifdef mpas\n use util_module, only : time2sec, nextime\n#endif\n IMPLICIT NONE\n\n INTEGER, INTENT( IN ) :: JDATE, JTIME ! date (YYYYDDD), time (HHMMSS)\n INTEGER, INTENT( IN ) :: TSTEP( 3 ) ! time step vector (HHMMSS)\n REAL, POINTER :: CGRID( :,:,:,: )\n\n LOGICAL :: L_DESID_DIAG\n LOGICAL :: FIRST_TIME = .TRUE.\n INTEGER, SAVE :: WSTEP, MDATE, MTIME\n LOGICAL :: WRTIME\n CHARACTER( 200 ):: XMSG\n\n INTEGER :: l\n\n CALL LOG_MESSAGE( LOGDEV, 'Beginning Emissions' )\n \n IF ( FIRST_TIME ) THEN\n FIRST_TIME = .FALSE.\n\n ! Initialize Diagnostic Write Counter\n WSTEP = 0 \n MDATE = STDATE\n MTIME = STTIME\n \n ! Execute DESID Emission Processor in Diagnostic Mode\n ! for the Initial Hour of the Simulation (usually 0Z)\n VDEMIS_DIAG = 0.0\n WRITE( XMSG, '(A,I10,A,I10)' ),\n & ' Calling Diagnostic Emissions at Date: ',MDATE,\n & ' and time: ',MTIME\n CALL LOG_MESSAGE( LOGDEV, XMSG )\n CALL DESID_GET_EMIS( MDATE, MTIME, TSTEP, CGRID, .TRUE. )\n END IF\n \n ! Increment Diagnostic Counter\n WRTIME = .FALSE.\n WSTEP = WSTEP + TIME2SEC( TSTEP( 2 ) )\n \n ! Determine whether or not this is a write step\n WRTIME = ( WSTEP .GE. TIME2SEC( TSTEP( 1 ) ) )\n IF ( WRTIME ) THEN \n WSTEP = 0\n CALL NEXTIME( MDATE, MTIME, TSTEP( 1 ) )\n\n ! Execute DESID Emission Processor in Diagnostic Mode\n VDEMIS_DIAG = 0.0\n WRITE( XMSG, '(A,I10,A,I10)' ),\n & ' Calling Diagnostic Emissions at Date: ',MDATE,\n & ' and time: ',MTIME\n CALL LOG_MESSAGE( LOGDEV, XMSG )\n CALL LOG_MESSAGE( LOGDEV, '' )\n CALL DESID_GET_EMIS( MDATE, MTIME, TSTEP, CGRID, .TRUE. )\n\n END IF\n \n ! Execute DESID Emission Processor in Real Mode\n WRITE( XMSG, '(A,I10,A,I10)' ),\n & ' Calling Real Emissions at Date: ',JDATE,\n & ' and time: ',JTIME\n CALL LOG_MESSAGE( LOGDEV, XMSG )\n CALL LOG_MESSAGE( LOGDEV, '' )\n\n CALL DESID_GET_EMIS( JDATE, JTIME, TSTEP, CGRID, .FALSE. )\n\n END SUBROUTINE DESID_DRIVER\n\n!-----------------------------------------------------------------------\n SUBROUTINE DESID_GET_EMIS ( JDATE, JTIME, TSTEP, CGRID, L_DESID_DIAG )\n\n ! Step through all emission sub-modules for each stream\n ! (gridded and point offline, biog, SeaSalt, Dust, Lightning\n ! NO, etc.) and apply scaling factors, unit conversions, etc.\n\n ! If L_DESID_DIAG = .FALSE. then this is a standard call of\n ! DESID_GET_EMIS and emissions will be returned to VDIFF to\n ! supply the CMAQ system with emissions. If L_DESID_DIAG =\n ! .TRUE., then emissions are calculated and written out to\n ! diagnostic files but not used by VDIFF or any other part of\n ! CMAQ.\n\n USE CGRID_SPCS ! CGRID mechanism species\n USE AERO_EMIS ! inherits GRID_CONF\n USE BEIS_DEFN ! biogenic emissions\n USE MEGAN_DEFN ! biogenic emissions from MEGAN\n USE BIOG_EMIS, ONLY: MSPCS\n USE SSEMIS\n USE DUST_EMIS\n USE MGEMIS ! marine gas emissions\n USE PT3D_DEFN ! plume rise emissions\n USE LTNG_DEFN ! lightning NO emissions\n USE UTILIO_DEFN\n USE HGRD_DEFN\n USE ASX_DATA_MOD, ONLY: MET_DATA, GRID_DATA\n USE AERO_DATA, ONLY : AERONUM_MAP, AEROSRF_MAP, DUSTOUTM\n\n#ifdef isam\n USE SA_DEFN, ONLY : SA_VDEMIS_DIFF, ITAG, NTAG_SA, TAGSTREAMS,\n & STREAM_TO_TAG, OTHRTAG, TAGSTREAMS_TEMP,\n & TAGSTREAMS_NUM, SA_VDEMIS_CONV,\n & SA_VDEMIS_CONV_OTHER,\n & MAP_DIFFtoSA, ISAM_SPEC, NSPC_SA,\n & ISAMRGN_TEMP, ISAMRGN, ISAMRGN_NUM,\n & ISAMRGN_MAP, TAGS_PER_STREAM,\n & ISAM_PVO3_MAP, L_OZONE\n USE VDIFF_MAP, ONLY : DIFF_MAP, DIFF_SPC\n#endif\n\n#ifdef sens\n USE DDM3D_DEFN, ONLY: NP, NPMAX, SVDEMIS_DIFF, IPT, SENNUM,\n & S_STREAMLBL, S_NSTREAMS, IPARM, IREGION,\n & STREAM_TO_SENS, SENS_PER_STREAM\n USE VDIFF_MAP, ONLY : DIFF_MAP\n#endif\n#ifdef mpas\n use util_module, only : index1\n#endif\n USE centralized_io_module\n\n IMPLICIT NONE\n\nC Includes:\n INCLUDE SUBST_FILES_ID ! file name parameters\n\nC Arguments:\n INTEGER, INTENT( IN ) :: JDATE, JTIME ! date (YYYYDDD), time (HHMMSS)\n INTEGER, INTENT( IN ) :: TSTEP( 3 ) ! time step vector (HHMMSS)\n REAL, POINTER :: CGRID( :,:,:,: )\n LOGICAL, INTENT( IN ) :: L_DESID_DIAG\n\nC Local Variables:\n REAL DELT ! interpolation factor\n INTEGER C, R, L, N, S, V, ISTR, ISRM, NL, I, J ! loop induction variables\n INTEGER S_STRT, S_END ! substitute loop induction variables\n REAL, ALLOCATABLE, SAVE :: VDEMIS_READ ( :,:,:,: ) ! Emissions as they are provided by each stream\n REAL, ALLOCATABLE, SAVE :: VDEMIS_SCALED( :,:,:,: ) ! Emissions after user scaling, and spatial scaling\n REAL, ALLOCATABLE, SAVE :: VDEMIS_CONV ( :,:,:,: ) ! Emissions after converting to units for VDIFF\n \n\n CHARACTER( 16 ) :: VNAME\n CHARACTER( 16 ) :: PNAME = 'GET_EMIS'\n CHARACTER( 300 ):: XMSG = ' '\n INTEGER :: ERROR_NEG\n INTEGER, SAVE :: WSTEP\n LOGICAL, SAVE :: FIRST_TIME = .TRUE.\n LOGICAL :: EFLAG\n\n#ifdef isam\n INTEGER :: IDX, SPC, LAYER, RGN, IRGN\n CHARACTER(96) :: TXTSTRING\n REAL :: MINCHECK, TOTAL\n#endif\nC-----------------------------------------------------------------------\n\n EFLAG = .FALSE.\n\n IF ( FIRST_TIME ) THEN\n FIRST_TIME = .FALSE.\n\n ALLOCATE( VDEMIS_READ ( DESID_N_ISTR,DESID_LAYS,NCOLS,NROWS ),\n & VDEMIS_SCALED( DESID_N_ISTR,DESID_LAYS,NCOLS,NROWS ),\n & VDEMIS_CONV ( N_SPC_DIFF, DESID_LAYS,NCOLS,NROWS ) )\n\n#ifdef isam\nC Map Emissions streams to ISAM tags\n ALLOCATE( STREAM_TO_TAG( DESID_N_SRM, NTAG_SA ),\n & TAGS_PER_STREAM( DESID_N_SRM ),\n & MAP_DIFFtoSA ( NSPC_SA ),\n & TAGSTREAMS( NTAG_SA, DESID_N_SRM ) )\n STREAM_TO_TAG = 0\n TAGS_PER_STREAM = 0\n MAP_DIFFtoSA = 0\n TAGSTREAMS = 'empty'\n\n IF ( LPVO3 ) THEN\n ALLOCATE ( ISAM_PVO3_MAP( NTAG_SA ) )\n ISAM_PVO3_MAP = 0\n END IF\n\n DO ITAG = 1, NTAG_SA-3\n\nC Count the number of streams going to each ISAM tag\n TXTSTRING = TRIM(TAGSTREAMS_TEMP( ITAG ))\n TAGSTREAMS_NUM( ITAG ) = 1 + COUNT(TRANSFER(TXTSTRING, 'A', LEN(TXTSTRING)) == \",\" )\n\nC Parse out the stream names the user wants tagged\n READ(TXTSTRING, *) TAGSTREAMS(ITAG,1:TAGSTREAMS_NUM( ITAG ))\n\nC Find emissions stream in the list of available streams\n DO ISRM = 1, TAGSTREAMS_NUM( ITAG )\n IF ( TAGSTREAMS(ITAG,ISRM) .EQ. 'PVO3' ) THEN\n IF ( LPVO3 ) THEN \n IF ( L_OZONE ) THEN\n ISAM_PVO3_MAP(ITAG) = 1\n CYCLE\n ELSE\n XMSG = \" Must specifiy OZONE ISAM TAG CLASS\" //\n & \" in isam_control to track PVO3 \"\n CALL M3EXIT( 'ISAM_PVO3', 1, 1, XMSG, XSTAT1 )\n ENDIF\n ELSE\n XMSG = \" To track PVO3, run-script must set CTM_LPVO3\" //\n & \" to Y or T for Yes or True. Check run-script.\"\n CALL M3EXIT( 'ISAM_PVO3', 1, 1, XMSG, XSTAT1 )\n END IF \n ENDIF\n\n IF ( TAGSTREAMS(ITAG,ISRM) .EQ. 'BIDIRECTIONALNH3' )THEN\n IF ( ABFLUX ) THEN\n CYCLE ! don't need a stream for this\n ELSE\n XMSG = \" BIDIRECTIONALNH3 specified,\" //\n & \" but ABLUX set to FALSE \"\n CALL M3EXIT( 'ISAM_PVO3', 1, 1, XMSG, XSTAT1 )\n ENDIF \n END IF\n\n IDX = INDEX1(TAGSTREAMS(ITAG,ISRM),DESID_N_SRM,DESID_STREAM_LAB )\n IF ( IDX .EQ. 0 ) THEN\n XMSG = \" User specified ISAM tag - \" //\n & TRIM( TAGSTREAMS(ITAG,ISRM) )// \n & \" - not found in available emissions streams \"\n CALL M3MESG(XMSG)\n EFLAG = .TRUE.\n ELSE\n TAGS_PER_STREAM( IDX ) = TAGS_PER_STREAM( IDX ) + 1\n STREAM_TO_TAG(IDX,TAGS_PER_STREAM( IDX )) = ITAG\n END IF\n END DO\n\n END DO\n IF( EFLAG )THEN\n WRITE(LOGDEV,'(A)')'Available Emissions Streams'\n DO ITAG = 1,DESID_N_SRM\n WRITE(LOGDEV,'(4X,A)')DESID_STREAM_LAB(ITAG)\n END DO\n XMSG = 'INCORRECT Emissions Stream used in ISAM control file'\n CALL M3EXIT( 'ISAM_STREAMS', 1, 1, XMSG, XSTAT1 )\n END IF\n\nC Develop a map of emitted/diffused ISAM species\n MAP_DIFFtoSA = 0\n DO SPC = 1, NSPC_SA\n MAP_DIFFtoSA( SPC ) = INDEX1(TRIM(ISAM_SPEC(SPC,1)), N_SPC_DIFF, DIFF_SPC )\n END DO\n\nC Initialize geographic regions for ISAM tagging\n ALLOCATE( ISAMRGN( NTAG_SA, DESID_N_REG ) )\n ISAMRGN = 'EVERYWHERE'\n ALLOCATE( ISAMRGN_MAP( NTAG_SA, DESID_N_REG ) )\n ISAMRGN_MAP = 0\n ISAMRGN_NUM = 0\n\n DO ITAG = 1, NTAG_SA-3\n\nC Check if the 'EVERYWHERE' keyword is present\n IDX = INDEX(ISAMRGN_TEMP(ITAG),'EVERYWHERE')\n IF ( IDX .NE. 0 ) THEN\n ISAMRGN_NUM( ITAG ) = 0\n CYCLE\n ENDIF\n\nC Count the number of regions for each tag\n TXTSTRING = TRIM(ISAMRGN_TEMP( ITAG ))\n ISAMRGN_NUM( ITAG ) = 1 + COUNT(TRANSFER(TXTSTRING,'A', LEN(TXTSTRING)) == \",\" )\n\nC Parse out the region names the user wants tagged\n READ(TXTSTRING, *) ISAMRGN(ITAG,1:ISAMRGN_NUM( ITAG ))\n\nC Map the user specified ISAM regions to available CMAQ regions\n DO ISRM = 1, ISAMRGN_NUM(ITAG)\n IDX = INDEX1(ISAMRGN(ITAG,ISRM),DESID_N_REG, DESID_REG%LABEL )\n IF ( IDX .EQ. 0 ) THEN\n XMSG = \" User specified ISAM region - \" //\n & TRIM( ISAMRGN(ITAG,ISRM) ) //\n & \" - not found in available emissions regions \"\n CALL M3EXIT( 'ISAM_STREAMS', 1, 1, XMSG, XSTAT1 )\n ELSE\n ISAMRGN_MAP(ITAG,ISRM) = IDX\n END IF\n END DO\n\n END DO\n\n#endif\n\n#ifdef sens\n ALLOCATE( STREAM_TO_SENS( DESID_N_SRM, NPMAX ),\n & SENS_PER_STREAM( DESID_N_SRM ))\n STREAM_TO_SENS = 0\n SENS_PER_STREAM = 0\n\n DO NP = 1, NPMAX\n IF ( IPT ( NP ) .EQ. 3 ) THEN ! This is an emissions sensitivity\n IF ( S_NSTREAMS(NP) .EQ. 99 ) THEN ! all emissions streams\n S_NSTREAMS(NP) = DESID_N_SRM\n S_STREAMLBL(NP,1:DESID_N_SRM)=DESID_STREAM_LAB(1:DESID_N_SRM)\n END IF\n DO ISRM = 1, S_NSTREAMS(NP)\n SENNUM = INDEX1(S_STREAMLBL(NP,ISRM),DESID_N_SRM,DESID_STREAM_LAB)\n IF ( SENNUM .EQ. 0 ) THEN\n XMSG = \" User specified DDM Emissions Stream - \" //\n & TRIM( S_STREAMLBL(NP,ISRM) )//\n & \" - not found in available emissions streams \"\n CALL M3EXIT( 'ISAM_STREAMS', 1, 1, XMSG, XSTAT1 )\n ELSE\n SENS_PER_STREAM( SENNUM ) = SENS_PER_STREAM( SENNUM ) + 1\n STREAM_TO_SENS(SENNUM,SENS_PER_STREAM( SENNUM )) = NP\n END IF\n END DO\n END IF\n END DO\n#endif\n END IF ! First Time\n\nC Initialize Emissions Array\n VDEMIS_DIFF = 0.0\n VDEMIS_CONV = 0.0\n\n#ifdef isam\n SA_VDEMIS_DIFF = 0.0\n SA_VDEMIS_CONV = 0.0\n#endif\n\n#ifdef sens\n SVDEMIS_DIFF = 0.0\n#endif\n\nC Retrieve Emissions from All Stream Types\n IF ( DESID_N_SRM .GT. 0 ) THEN\n\n DO ISRM = 1,DESID_N_SRM\n DO R = 1,NROWS\n DO C = 1,NCOLS\n DO J = 1,DESID_LAYS\n DO I = 1,DESID_N_ISTR\n VDEMIS_READ(I,J,C,R) = 0.0\n END DO\n END DO\n END DO\n END DO\n\n SELECT CASE ( DESID_STREAM_ITYPE( ISRM ) )\n \n ! Retrieve Gridded and Tracer Emissions\n CASE ( 1, 3 )\n NL = DESID_GRID_LAYS( ISRM )\n CALL GR3D( JDATE, JTIME, TSTEP, DESID_STREAM_NAME( ISRM ), \n & NL, ISRM, VDEMIS_READ, L_DESID_DIAG ) ! mol/s and g/s\n \n ! Apply Rules from DESID_${mech} namelist\n CALL DESID_SCALING( VDEMIS_READ, ISRM, NL, VDEMIS_SCALED )\n \n ! Calculate Number and Surface Area Emissions for this\n ! stream. Convert aerosol mass emissions from g/s to\n ! ug/m3/s.\n CALL DESID_SIZE_DIST( ISRM, VDEMIS_SCALED, NL )\n\n ! Retrieve Point Source Emissions Streams\n CASE ( 2 )\n NL = 1\n CALL GET_PT3D_EMIS ( JDATE, JTIME, TSTEP, LOCAL_EMVAR( :,ISRM ), \n & ISRM, VDEMIS_READ, NL, L_DESID_DIAG )! mol/s and g/s\n\n ! Apply Rules from DESID_${mech} namelist\n CALL DESID_SCALING( VDEMIS_READ, ISRM, NL, VDEMIS_SCALED )\n\n ! Calculate Number and Surface Area Emissions for this\n ! stream. Convert aerosol mass emissions from g/s to\n ! ug/m3/s.\n CALL DESID_SIZE_DIST( ISRM, VDEMIS_SCALED, NL )\n\n CASE ( 4 )\n NL = 1\n CALL GET_BEIS ( JDATE, JTIME, TSTEP, L_DESID_DIAG ) ! mol/s\n FORALL( ISTR = 1:DESID_N_ISTR, MAP_ISTRtoEMVAR( ISTR,ISRM ) .GT. 0 )\n VDEMIS_READ( ISTR,1,:,: ) = VDEMIS_BI( MAP_ISTRtoEMVAR( ISTR,ISRM ),:,: ) \n END FORALL\n \n ! Apply Rules from DESID_${mech} namelist\n CALL DESID_SCALING( VDEMIS_READ, ISRM, NL, VDEMIS_SCALED )\n\n ! Retrieve Marine Gas Emissions\n CASE ( 5 )\n NL = 1\n CALL GET_MGEMIS ( JDATE, JTIME, TSTEP, CGRID, L_DESID_DIAG )! mol/s\n\n FORALL( ISTR = 1:DESID_N_ISTR, MAP_ISTRtoEMVAR( ISTR,ISRM ) .GT. 0 )\n VDEMIS_READ( ISTR,1,:,: ) = VDEMIS_MG( MAP_ISTRtoEMVAR( ISTR,ISRM ),:,: ) \n END FORALL\n\n ! Apply Rules from DESID_${mech} namelist\n CALL DESID_SCALING( VDEMIS_READ, ISRM, NL, VDEMIS_SCALED )\n\n ! Retrieve Lightning NO Emissions\n CASE ( 6 )\n NL = DESID_LAYS\n CALL GET_LTNG ( JDATE, JTIME, TSTEP, L_DESID_DIAG ) ! mol/s\n DO L = 1,NL\n FORALL( ISTR = 1:DESID_N_ISTR, MAP_ISTRtoEMVAR( ISTR,ISRM ) .GT. 0 )\n VDEMIS_READ( ISTR,L,:,: ) = VDEMIS_LT( :,:,L ) \n END FORALL\n END DO\n \n ! Apply Rules from DESID_${mech} namelist\n CALL DESID_SCALING( VDEMIS_READ, ISRM, NL, VDEMIS_SCALED )\n\n ! Retrieve Sea Spray Aerosol Emissions \n CASE ( 7 )\n NL = 1\n CALL GET_SSEMIS ( JDATE, JTIME, TSTEP, CELLVOL( :,:,1 ), \n & CELLHGT( :,:,1 ), L_DESID_DIAG ) ! g/m3/s\n\n FORALL( ISTR = 1:DESID_N_ISTR, MAP_ISTRtoEMVAR( ISTR,ISRM ) .GT. 0 )\n VDEMIS_READ( ISTR,1,:,: ) = SSOUTM( MAP_ISTRtoEMVAR( ISTR,ISRM ),:,: ) \n END FORALL\n\n ! Apply Rules from DESID_${mech} namelist\n CALL DESID_SCALING( VDEMIS_READ, ISRM, NL, VDEMIS_SCALED )\n\n ! Calculate Number and Surface Area Emissions for this\n ! stream. Convert aerosol mass emissions from g/m3/s to\n ! ug/m3/s.\n CALL DESID_SIZE_DIST( ISRM, VDEMIS_SCALED, NL )\n\n ! Retrieve Wind-Blown Dust Emissions\n CASE ( 8 )\n NL = 1\n CALL GET_DUST_EMIS ( JDATE, JTIME, TSTEP, Met_data%RJACM( :,:,1 ), \n & CELLHGT( :,:,1 ), L_DESID_DIAG ) ! g/m3/s\n FORALL( ISTR = 1:DESID_N_ISTR, MAP_ISTRtoEMVAR( ISTR,ISRM ) .GT. 0 )\n VDEMIS_READ( ISTR,1,:,: ) = DUSTOUTM( MAP_ISTRtoEMVAR( ISTR,ISRM ),:,: ) \n END FORALL\n \n ! Apply Rules from DESID_${mech} namelist\n CALL DESID_SCALING( VDEMIS_READ, ISRM, NL, VDEMIS_SCALED )\n \n ! Calculate Number and Surface Area Emissions for this\n ! stream. Convert aerosol mass emissions from g/m3/s to\n ! ug/m3/s.\n CALL DESID_SIZE_DIST( ISRM, VDEMIS_SCALED, NL )\n\n ! Retrieve MEGAN Emissions\n CASE ( 9 )\n NL = 1\n CALL GET_MEGAN ( JDATE, JTIME, TSTEP, L_DESID_DIAG) ! mol/s\n FORALL( ISTR = 1:DESID_N_ISTR, MAP_ISTRtoEMVAR( ISTR,ISRM ) .GT. 0 )\n VDEMIS_READ( ISTR,1,:,: ) = VDEMIS_ME( MAP_ISTRtoEMVAR( ISTR,ISRM ),:,: ) \n END FORALL\n \n ! Apply Rules from DESID_${mech} namelist\n CALL DESID_SCALING( VDEMIS_READ, ISRM, NL, VDEMIS_SCALED )\n\n END SELECT\n \n ! Convert All Emissions to VDIFF Units (ppmv/s for gas and\n ! aerosol masses, m2/mol/s for aerosol surface area, and\n ! N/mol/s for aerosol number)\n CALL DESID_CONV_UNITS( VDEMIS_SCALED, NL, VDEMIS_CONV )\n \n ! Write out diagnostic file (if requested in DESID control\n ! namelist file). This subroutine will only be executed if\n ! DESID is called in diagnostic mode, meaning all input,\n ! scaling, and unit conversions are performed for input to\n ! VDIFF, but values are converted back to mol/s (gas), g/s\n ! (aerosol mass), m2/s (aerosol surface area), and N/s \n ! (aerosol number) before output.\n IF ( L_DESID_DIAG ) CALL DESID_CALC_DIAG( JDATE, JTIME, VDEMIS_CONV, ISRM, NL )\n\n ! Tools like DDM3D has a need to calculate emissions from \n ! specific streams and then not apply them to VDIFF. They\n ! should only be added if DESID_STREAM_LAPPLY is true for\n ! this stream.\n IF ( DESID_STREAM_LAPPLY( ISRM ) ) \n & VDEMIS_DIFF( :,1:NL,:,: ) = VDEMIS_DIFF( :,1:NL,:,: ) + VDEMIS_CONV( :,1:NL,:,: )\n\n#ifdef isam\n IF ( DESID_STREAM_LAPPLY( ISRM ) ) THEN\n ! Populate SA_VDEMIS_CONV, array for carrying tagged\n ! emissions contributions\n\n ! Initialize \n DO ITAG = 1,NTAG_SA\n DO R = 1,NROWS\n DO C = 1,NCOLS\n DO LAYER = 1,NL\n DO SPC = 1,N_SPC_DIFF\n SA_VDEMIS_CONV( SPC,LAYER,C,R,ITAG ) = 0.0\n END DO\n END DO\n END DO\n END DO\n END DO\n \n ! Determine whether this emission stream corresponds to \n ! any ISAM tags\n IF ( TAGS_PER_STREAM( ISRM ) .EQ. 0 ) THEN \n ! Dump all into 'OTHRTAG'\n SA_VDEMIS_CONV( :,1:NL,:,:,OTHRTAG ) = \n & VDEMIS_CONV( :,1:NL,:,: )\n ELSE\n ! Initialize Array for Tracking Residual of Tagged\n ! Emissions \n SA_VDEMIS_CONV_OTHER( :,1:NL,:,: ) = VDEMIS_CONV( :,1:NL,:,: )\n\n ! Loop through all of the ISAM tags associated with this\n ! emissions stream. Generally each stream is only\n ! associated with one tag. The exception is when\n ! there are multiple tags corresponding to separate regions.\n DO IDX = 1, TAGS_PER_STREAM( ISRM )\n\n ! Retrieve A Tag Associated with this Stream\n ITAG = STREAM_TO_TAG(ISRM,IDX)\n\n IF ( ISAMRGN_NUM( ITAG ) .LT. 1 ) THEN \n ! This tag is capturing 100% of every grid cell in\n ! the full domain for this stream. We need to assign\n ! all of the emissions from this stream to this tag\n ! and the residual is then set to 0.\n SA_VDEMIS_CONV( :,1:NL,:,:,ITAG ) = \n & SA_VDEMIS_CONV( :,1:NL,:,:,ITAG )\n & + VDEMIS_CONV(:,1:NL,:,: )\n SA_VDEMIS_CONV_OTHER = 0.0\n\n ELSE\n ! This tag is capturing some fraction of the stream\n ! in grid cells across the domain. These fractional\n ! contributions are applied using the DESID_REG_FAC\n ! array with corresponding map indices.\n ! Loop Over Altitude, Species and Regions to Add\n ! emissions to corresponding tag, ITAG.\n DO IRGN = 1, ISAMRGN_NUM( ITAG )\n DO LAYER = 1, NL\n DO SPC = 1, N_SPC_DIFF\n SA_VDEMIS_CONV( SPC,LAYER,:,:,ITAG ) = \n & SA_VDEMIS_CONV( SPC,LAYER,:,:,ITAG )\n & + VDEMIS_CONV( SPC,LAYER,:,: )\n & * DESID_REG_FAC(:,:,ISAMRGN_MAP(ITAG,IRGN))\n\n SA_VDEMIS_CONV_OTHER( SPC,LAYER,:,: ) = \n & SA_VDEMIS_CONV_OTHER( SPC,LAYER,:,: )\n & - VDEMIS_CONV( SPC,LAYER,:,: )\n & * DESID_REG_FAC(:,:,ISAMRGN_MAP(ITAG,IRGN))\n\n END DO\n END DO\n END DO\n END IF\n END DO\n \n ! Now that emissions from this stream have been assigned\n ! to all available tags, assess the remainder and assign\n ! it to the \"OTHR\" tag if any exists.\n MINCHECK = MINVAL( SA_VDEMIS_CONV_OTHER( :,1:NL,:,: ) )\n IF ( MINCHECK .GE. 0.0 ) THEN\n ! Remainder is Valid. Move it all to the \"OTHR\" Tag\n SA_VDEMIS_CONV( :,1:NL,:,:,OTHRTAG ) = \n & SA_VDEMIS_CONV_OTHER( :,1:NL,:,: )\n ELSE\n ! Some Part of the Remainder (\"OTHER\") is Invalid\n XMSG = \" ISAM mass balance error for emissions stream \" //\n & TRIM( DESID_STREAM_DESC( ISRM ) ) // \n & \" - check isam control file. \"\n CALL M3WARN( 'ISAM_EMISSIONS', 1, 1, XMSG )\n\n ! Repair OTHER By Distributing Negative Among Populated Tags \n ! and assigning positive part to the \"OTHR\" Tag as\n ! planned\n DO R = 1,NROWS\n DO C = 1,NCOLS\n DO LAYER = 1,NL\n DO SPC = 1,N_SPC_DIFF\n IF ( SA_VDEMIS_CONV_OTHER( SPC,LAYER,C,R ) .LT. 0.0 ) THEN\n ! Find the total alloted to this (SPC,LAYER,C,R)\n ! and use it to distribute the error fractionally\n TOTAL = SUM( SA_VDEMIS_CONV( SPC,LAYER,C,R,: ) )\n DO ITAG = 1,NTAG_SA \n SA_VDEMIS_CONV( SPC,LAYER,C,R,ITAG ) =\n & SA_VDEMIS_CONV( SPC,LAYER,C,R,ITAG ) *\n & ( 1.0 + SA_VDEMIS_CONV_OTHER( SPC,LAYER,C,R ) / TOTAL )\n END DO\n ELSE\n ! Assign the positive values to the \"OTHR\" Tag\n SA_VDEMIS_CONV( SPC,LAYER,C,R,OTHRTAG ) = \n & SA_VDEMIS_CONV_OTHER( SPC,LAYER,C,R )\n END IF\n END DO\n END DO\n END DO\n END DO\n END IF\n\n END IF\n\n ! Subset the emissions array for ISAM traced species \n DO SPC = 1, NSPC_SA\n IF ( MAP_DIFFtoSA( SPC ) .NE. 0 ) THEN\n DO ITAG = 1,NTAG_SA\n DO R = 1,NROWS\n DO C = 1,NCOLS\n DO LAYER = 1,NL\n SA_VDEMIS_DIFF( SPC,LAYER,C,R,ITAG ) = \n & SA_VDEMIS_DIFF( SPC,LAYER,C,R,ITAG )\n & + SA_VDEMIS_CONV( MAP_DIFFtoSA( SPC ),LAYER,C,R,ITAG )\n END DO\n END DO\n END DO\n END DO\n END IF\n END DO\n\n END IF\n#endif\n\n\n#ifdef sens\n IF ( SENS_PER_STREAM( ISRM ) .GT. 0 ) THEN ! This stream is used by DDM3D\n\n DO SENNUM = 1, SENS_PER_STREAM( ISRM )\n NP = STREAM_TO_SENS( ISRM,SENNUM )\n SVDEMIS_DIFF( :,1:NL,:,:,NP ) = SVDEMIS_DIFF( :,1:NL,:,:,NP ) \n & + VDEMIS_CONV(:,1:NL,:,: )\n END DO\n END IF\n#endif\n\n END DO ! Master Loop for Emissions Streams\n\n#ifdef sens\nC Subset the emissions array for DDM-3D (by species and region)\n DO NP = 1, NPMAX\n DO S = 1, N_SPC_DIFF\n DO L = 1, DESID_LAYS\n SVDEMIS_DIFF( S,L,:,:,NP ) = \n & SVDEMIS_DIFF( S,L,:,:,NP )\n & * IREGION( :,:,L,NP )\n & * REAL( IPARM( NP, DIFF_MAP( S ) ), 4 )\n END DO\n END DO\n END DO\n#endif\n\n ! Check for Negative Emissions after scaling rules and unit\n ! conversions are applied.\n ERROR_NEG = DESID_CHECK_NEG( VDEMIS_DIFF, 1, DESID_LAYS )\n \n ! Write Out Aggregate Diagnostic Emissions to Files\n IF ( L_DESID_DIAG ) CALL DESID_WRITE_DIAG( JDATE, JTIME )\n \n END IF ! DESID_N_SRM\n\n RETURN\n\n END SUBROUTINE DESID_GET_EMIS\n\nC------------------------------------------------------------------------------\n \n SUBROUTINE GR3D ( JDATE, JTIME, TSTEP, DESID_FNAME, STREAM_LAYS, \n & FSTREAM, VDEMIS, L_DESID_DIAG )\n\n USE CGRID_SPCS ! CGRID mechanism species\n USE ASX_DATA_MOD, ONLY: MET_DATA, GRID_DATA\n USE CENTRALIZED_IO_MODULE, ONLY: interpolate_var\n#ifdef mpas\n use util_module, only : nextime\n#endif\n\n !USE EMIS_UTIL\n !USE UTILIO_DEFN\n\n IMPLICIT NONE\n\n ! Includes:\n INCLUDE SUBST_FILES_ID ! file name parameters\n\n ! Arguments:\n INTEGER, INTENT( IN ) :: JDATE, JTIME ! date (YYYYDDD), time (HHMMSS)\n INTEGER, INTENT( IN ) :: FSTREAM ! Stream Counter\n CHARACTER( 100 ), INTENT( IN ) :: DESID_FNAME ! Stream Filename\n INTEGER, INTENT( IN ) :: TSTEP( 3 ) ! time step vector (HHMMSS)\n LOGICAL, INTENT( IN ) :: L_DESID_DIAG ! Flag for diagnostic operation\n\n ! Output:\n REAL, INTENT( OUT ) :: VDEMIS( :,:,:,: ) ! Emission Rate Array\n\n ! Local Variables:\n INTEGER C, R, L, N, S, V, ISTR \n INTEGER S_STRT, S_END, STREAM_LAYS, NDATE, NTIME\n\n REAL, ALLOCATABLE, SAVE :: BUFF( :,:,: )\n CHARACTER( 16 ) :: VNAME\n CHARACTER( 16 ) :: PNAME = 'GR3D'\n CHARACTER( 200 ) :: XMSG = ' '\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n INTEGER, ALLOCATABLE, SAVE :: LOC_STDATE(:)\n LOGICAL :: L_NEWDAY\n\n real*8 :: lDBL_CKSUM\n real :: lsum\n logical :: found\n integer :: mycount\n\n!-----------------------------------------------------------------------\n\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n ! Get Domain Information for Emissions Read Routine\n\n ! Allocate Persistent Variables\n ALLOCATE( BUFF( NCOLS,NROWS,MAXVAL( DESID_GRID_LAYS ) ) )\n ALLOCATE( LOC_STDATE( SIZE(DESID_STREAM_DATE) ) )\n\n LOC_STDATE = STDATE\n END IF !FirstTime\n \n ! Ensure that the model and emissions timestamp dates stay synchronized\n L_NEWDAY = .FALSE.\n IF (LOC_STDATE(FSTREAM) .NE. JDATE ) THEN \n NDATE = JDATE; NTIME = JTIME\n CALL NEXTIME( NDATE, NTIME, -TSTEP( 1 ) ) ! go back one output tstep\n CALL NEXTIME( DESID_STREAM_DATE( FSTREAM ), NTIME, TSTEP( 1 ) ) ! advance the start date one time step\n LOC_STDATE(FSTREAM) = JDATE\n L_NEWDAY = .TRUE.\n END IF\n\n ! Read & Interpolate Emissions \n DO R = 1,NROWS\n DO C = 1,NCOLS\n DO L = 1,DESID_LAYS\n DO ISTR = 1,DESID_N_ISTR\n VDEMIS(ISTR,L,C,R) = 0.0\n END DO\n END DO\n END DO\n END DO\n\n DO ISTR = 1, DESID_N_ISTR \n VNAME = LOCAL_EMVAR( ISTR, FSTREAM )\n IF ( VNAME .EQ. '' ) CYCLE\n\n CALL INTERPOLATE_VAR (VNAME, DESID_STREAM_DATE( FSTREAM ), JTIME, BUFF, DESID_FNAME)\n\n ! Store all emissions in mol/sec or g/sec and convert to ppmv/s later\n IF ( DESID_LAYS .GE. STREAM_LAYS ) THEN \n DO L = 1, STREAM_LAYS\n VDEMIS( ISTR,L,:,: ) = BUFF( :,:,L )\n END DO\n ELSE\n DO L = 1, DESID_LAYS\n VDEMIS( ISTR,L,:,: ) = BUFF( :,:,L )\n END DO\n DO L = DESID_LAYS+1,STREAM_LAYS\n VDEMIS( ISTR,DESID_LAYS,:,: ) = VDEMIS( ISTR,DESID_LAYS,:,: ) + BUFF( :,:,L )\n END DO\n END IF\n END DO ! ISTR\n\n ! Reset the date of the gridded file if this is diagnostic mode\n ! and the day has advanced\n IF ( L_NEWDAY .AND. L_DESID_DIAG ) THEN\n CALL NEXTIME( DESID_STREAM_DATE( FSTREAM ), NTIME, -TSTEP(1) )\n LOC_STDATE(FSTREAM) = NDATE\n END IF\n\n RETURN\n\n END SUBROUTINE GR3D\n \nC-----------------------------------------------------------------------\n SUBROUTINE DESID_SCALING( VDEMIS0, ISRM, NL, VDEMIS )\n\nC Apply region-dependent scaling of emissions rules.\nC-----------------------------------------------------------------------\n USE CENTRALIZED_IO_MODULE, ONLY: MSFX2\n \n IMPLICIT NONE\n\n INTEGER, INTENT( IN ) :: ISRM, NL\n REAL, INTENT( IN ) :: VDEMIS0( :,:,:,: )\n REAL, INTENT( OUT ) :: VDEMIS ( :,:,:,: )\n\n REAL, ALLOCATABLE, SAVE :: VDEMIS1( :,:,: )\n INTEGER, ALLOCATABLE, SAVE :: NFAC( : )\n\n INTEGER ISTR, IFAC, L, NFAC_MAX, IRGN, OP, JSRM, ISTR_TMP, \n & NISTR, REG_UNQ, JRGN, K\n INTEGER, ALLOCATABLE :: MAP_FACtoISTR( : )\n REAL, ALLOCATABLE, SAVE :: FAC( :,: )\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n LOGICAL :: LAREA, LAREAADJ\n\n\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n ALLOCATE( NFAC( DESID_N_ISTR ) )\n ALLOCATE( VDEMIS1( NLAYS, NCOLS, NROWS ) )\n ALLOCATE( FAC( NCOLS,NROWS ) )\n END IF ! First Time\n\n !! Time-Dependent Portion\n VDEMIS( :,:,:,: ) = 0.0\n NFAC( : ) = DESID_FAC( :,ISRM )%NFAC\n \n ! Skip Streams With no Emissions Whatsoever\n IF ( SUM( NFAC(:) ) .EQ. 0 ) RETURN\n\n ! Loop through Each Instruction \n DO ISTR = 1,DESID_N_ISTR\n ! Do Not bother with this row if there is no emission variable to map\n IF ( NFAC( ISTR ) .EQ. 0 ) CYCLE\n\n ! Loop through each unique Region and Process Instruction's Stacks\n DO JRGN = 1,DESID_FAC( ISTR,ISRM )%NREG\n REG_UNQ = DESID_FAC( ISTR,ISRM )%REG_UNQ( JRGN )\n\n ! Initialize Region-Dependent Array for this Instruction\n VDEMIS1( :,:,: ) = 0.\n\n ! Calculate the scale factor needed for this region\n DO IFAC = 1,NFAC( ISTR ) \n\n FAC(:,:)= DESID_FAC( ISTR,ISRM )%FAC( IFAC )\n OP = DESID_FAC( ISTR,ISRM )%OP ( IFAC )\n IRGN = DESID_FAC( ISTR,ISRM )%REG( IFAC )\n LAREA = DESID_FAC( ISTR,ISRM )%AREA(IFAC )\n LAREAADJ= DESID_FAC( ISTR,ISRM )%AREAADJ(IFAC )\n\n IF ( IRGN .EQ. REG_UNQ .OR.\n & DESID_REG_SUB( IRGN,REG_UNQ ) ) THEN\n !Apply scaling for region IRGN using DESID_FAC \n\n IF ( OP .EQ. 1 ) THEN ! Add New Emission\n#ifndef mpas\n IF ( LAREA ) FAC = FAC * CELLAREA\n IF ( LAREAADJ ) FAC = FAC / MSFX2\n#endif\n DO L = 1,NL\n VDEMIS1( L,:,: ) = VDEMIS1( L,:,: ) +\n & VDEMIS0( ISTR,L,:,: ) * FAC\n END DO\n\n ELSE IF ( OP.EQ.2 ) THEN ! Multiply Emissions Rule\n DO L = 1,NL\n VDEMIS1( L,:,: ) = VDEMIS1( L,:,: ) * FAC\n END DO\n\n ELSE IF ( OP.EQ.3 ) THEN ! Overwrite Existing Rule\n#ifndef mpas\n IF ( LAREA ) FAC = FAC * CELLAREA\n IF ( LAREAADJ ) FAC = FAC / MSFX2\n#endif\n DO L = 1,NL\n VDEMIS1( L,:,: ) = VDEMIS0( ISTR,L,:,: ) * FAC\n END DO\n END IF\n END IF\n END DO ! End Loop through instruction stack\n\n ! Determine Region Mask to use for this Instruction\n K = DESID_FAC( ISTR,ISRM)%REG_RMDR( JRGN )\n IF ( K .EQ. 0 ) THEN\n ! This region does not have active subsets for this instruction\n ! Integrate Emissions Accounting for Region-based contributions\n DO L = 1,NL\n VDEMIS( ISTR,L,:,: ) = VDEMIS( ISTR,L,:,: ) + \n & VDEMIS1( L,:,: ) * DESID_REG_FAC(:,:,REG_UNQ )\n END DO\n ELSE\n ! This region has active subsets for this instruction. Use the \n ! remainder mask \n ! Integrate Emissions Accounting for Region-based contributions\n DO L = 1,NL\n VDEMIS( ISTR,L,:,: ) = VDEMIS( ISTR,L,:,: ) + \n & VDEMIS1( L,:,: ) * DESID_REG_RMDR( K )%MASK(:,: )\n END DO\n END IF\n\n\n END DO ! End loop through unique regions\n\n END DO ! End loop through instructions\n\n RETURN\n\n END SUBROUTINE DESID_SCALING\n\n\nC-----------------------------------------------------------------------\n SUBROUTINE DESID_CONV_UNITS( VDEMIS0, NL, VDEMIS )\n\nC Convert rate and map to Diffusivity module species order\nC-----------------------------------------------------------------------\n \n USE ASX_DATA_MOD, ONLY: MET_DATA, GRID_DATA\n USE AERO_EMIS ! inherits GRID_CONF\n#ifdef mpas\n USE coupler_module, ONLY: inv_cell_vol\n#endif\n\n IMPLICIT NONE\n\n ! Local Variables\n REAL,ALLOCATABLE, SAVE :: CNVTC( :,:,: ) ! combined conversion factor\n REAL,ALLOCATABLE, SAVE :: CNVTI( : ) ! intermediate combined conv. factor\n REAL, SAVE :: CNVTP ! intermediate combined conv. factor\n REAL,ALLOCATABLE, SAVE :: CONVM( :,:,: ) ! Aerosol Mass and Surface Area conversion factor \n REAL,ALLOCATABLE, SAVE :: CONVN( :,:,: ) ! Aerosol Number conversion factor \n REAL,ALLOCATABLE, SAVE :: CNVTI_M( :,:,: ) ! intermediate combined conv. factor\n REAL, PARAMETER :: GPKG = 1.0E+03 ! g/kg\n REAL, PARAMETER :: MWAIR = 28.9628 ! g/mol\n REAL, PARAMETER :: AVO = 6.0221367E23\n REAL, PARAMETER :: RAVO = 1.0 / AVO\n \n INTEGER, INTENT( IN ) :: NL\n REAL, INTENT( INOUT ) :: VDEMIS0( :,:,:,: )\n REAL, INTENT( OUT ):: VDEMIS ( :,:,:,: )\n \n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n INTEGER :: C, R, L, ISTR, INDX\n\n ! Get domain decomp info from the emissions file\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n ! Populate Persistent Variables\n#ifndef mpas\n CNVTP = 1.0E+06 * MWAIR / REAL( DX1 * DX2 ) !Conv. Factor for Gases \n#endif\n\n ALLOCATE( CNVTI( DESID_LAYS ), CNVTC( DESID_LAYS,NCOLS,NROWS ), \n#ifdef mpas\n & CNVTI_M( NCOLS,NROWS,DESID_LAYS ),\n#endif\n & CONVM( DESID_LAYS,NCOLS,NROWS ),\n & CONVN( DESID_LAYS,NCOLS,NROWS ) )\n END IF !FirstTime\n \n ! Convert All Emissions to Units Appropriate for the Dispersion Solver\n#ifdef mpas\n CNVTI_M( :,1,1:NL ) = 1.0E+06 * MWAIR * inv_cell_vol(:,1,1:NL)\n#else\n CNVTI( 1:NL ) = CNVTP * Grid_Data%RDX3F( 1:NL )\n#endif\n\n DO L = 1,NL\n#ifdef mpas\n CNVTC( L,:,: ) = 1.0E-3 * CNVTI_M( :,:,L ) * Met_Data%RRHOJ( :,:,L ) ! Gas Moles: mol/s -> ppmv/s\n#else\n CNVTC( L,:,: ) = 1.0E-3 * CNVTI( L ) * Met_Data%RRHOJ( :,:,L ) ! Gas Moles: mol/s -> ppmv/s\n#endif\n CONVM( L,:,: ) = MWAIR / GPKG / Met_Data%DENS( :,:,L ) !m3/mol ! Aer. Mass: umol/m3/s -> ppmv/s\n END DO ! Aer. Surf: m2/m3/s -> m2/mol/s\n CONVN( 1:NL,:,: ) = CONVM( 1:NL,:,: ) ! Aer. Num: N/m3/s -> N/mol/s\n\n !MAKE SURE TO APPLY RELEVANT UNIT CONVERSION TO EACH\n !TYPE OF VARIABLE (GAS, AEROSOL MASS, AEROSOL NUMBER,\n !AND AEROSOL SURFACE AREA)\n FORALL ( ISTR = 1:DESID_N_ISTR, MAP_ISTRtoGAS( ISTR ) .NE. 0 )\n & VDEMIS0( ISTR,1:NL,:,: ) = CNVTC( 1:NL,:,: ) * VDEMIS0( ISTR,1:NL,:,: )\n \n FORALL ( ISTR = 1:DESID_N_ISTR, MAP_ISTRtoAERO( ISTR ) .NE. 0 )\n & VDEMIS0( ISTR,1:NL,:,: ) = CONVM( 1:NL,:,: ) * VDEMIS0( ISTR,1:NL,:,: )\n \n FORALL ( ISTR = 1:DESID_N_ISTR, MAP_ISTRtoSRF( ISTR ) .NE. 0 )\n & VDEMIS0( ISTR,1:NL,:,: ) = CONVM( 1:NL,:,: ) * VDEMIS0( ISTR,1:NL,:,: )\n \n FORALL ( ISTR = 1:DESID_N_ISTR, MAP_ISTRtoNUM( ISTR ) .NE. 0 )\n & VDEMIS0( ISTR,1:NL,:,: ) = CONVN( 1:NL,:,: ) * VDEMIS0( ISTR,1:NL,:,: )\n\n \n ! zero out emissions values for diffused species not included in emissions list.\n ! ...accounts for emissions species names as a subset of the vert. diffused species list\n DO L = 1,NL\n VDEMIS( :,L,:,: ) = 0.0\n\n DO ISTR = 1,DESID_N_ISTR \n IF ( MAP_ISTRtoDIFF( ISTR ) .NE. 0 ) \n & VDEMIS( MAP_ISTRtoDIFF( ISTR ),L,:,: ) = \n & VDEMIS( MAP_ISTRtoDIFF( ISTR ),L,:,: ) + \n & VDEMIS0( ISTR,L,:,: )\n END DO\n END DO\n\n RETURN\n END SUBROUTINE DESID_CONV_UNITS\n\n\n!-----------------------------------------------------------------------\n FUNCTION DESID_CHECK_NEG( VDEMIS, ISRM, NL ) RESULT( STAT )\n\n! Check Emissions Array for negative values and exit if negative values\n! exceed tolerance of 1.0E-7. Emissions that are negative but within \n! tolerance are set to 0.0.\n! VDEMIS is the scaled emissions and VDEMIS0 is the emissions\n! read in from each stream.\n!-----------------------------------------------------------------------\n USE UTILIO_DEFN\n USE VDIFF_MAP, only : DIFF_SPC ! Name for every Diffusion Module Species \n\n IMPLICIT NONE\n\n REAL, INTENT( INOUT ) :: VDEMIS ( :,:,:,: )\n INTEGER, INTENT( IN ) :: NL\n INTEGER, INTENT( IN ) :: ISRM\n\n INTEGER :: ISPC\n INTEGER :: STAT\n INTEGER :: ALOC( 4 )\n REAL :: EMIS_MIN\n CHARACTER(250) :: XMSG\n\n STAT = 0\n\n ! If All Values Are Positive then Return Right Away\n EMIS_MIN = MINVAL( VDEMIS( :,1:NL,:,: ) )\n IF ( EMIS_MIN .GE. 0.0 ) RETURN\n\n IF ( EMIS_MIN .LT. -1.0e-7 ) THEN\n\n STAT = 1\n\n ! Find Where the Most Negative Value Is and Exit\n ALOC = MINLOC( VDEMIS( :,1:NL,:,: ) )\n ISPC = ALOC( 1 )\n\n WRITE( LOGDEV, '(/,5x,A,ES10.3,A,/,5x,3A,/,5x,A,/,5x,A)' ),\n & 'ERROR: Invalid Negative emission rate ', EMIS_MIN, ' has been ',\n & ' detected for CMAQ species ',TRIM(DIFF_SPC( ISPC )),'.',\n & 'Please inspect the Emission Control Namelist File (Search for ',\n & '\"Reading Emission Control Namelist\" in this Log File).'\n XMSG = 'Negative Emissions Detected'\n CALL M3EXIT( 'EMISS_NEG_CHECK', 0, 0, XMSG, XSTAT1 )\n\n ELSE ! reset slightly negative values to 0.0\n WHERE ( VDEMIS .LT. 0.0 ) VDEMIS = 0.0\n END IF\n\n END FUNCTION DESID_CHECK_NEG \n\n!-----------------------------------------------------------------------\n SUBROUTINE DESID_CALC_DIAG( JDATE, JTIME, VDEMIS0, ISRM, NL ) \n\n! Write out emissions diagnostic file\n!-----------------------------------------------------------------------\n \n USE ASX_DATA_MOD, ONLY: MET_DATA, GRID_DATA\n USE AERO_EMIS ! inherits GRID_CONF\n USE GRID_CONF\n USE VDIFF_MAP, ONLY : N_SPC_DIFF, DIFF_MASK_GAS, DIFF_MASK_AERO,\n & DIFF_MASK_NUM, DIFF_MASK_SRF, DIFF_MW, DIFF_SPC,\n & DIFF_MASK_NR, DIFF_MASK_TRAC\n USE AERO_DATA, ONLY : GPKG\n#ifdef mpas\n USE coupler_module, ONLY: inv_cell_vol\n#endif\n\n IMPLICIT NONE\n \n INCLUDE SUBST_CONST ! constants\n\n INTEGER, INTENT( IN ) :: JDATE, JTIME, ISRM\n REAL, INTENT( In ) :: VDEMIS0( :,:,:,: )\n REAL, ALLOCATABLE, SAVE :: VDEMIS ( :,:,:,: )\n REAL, ALLOCATABLE, SAVE :: VDEMIS_OUT ( :,:,: )\n\n ! Local Variables\n REAL, PARAMETER :: RAVO = 1.0 / AVO\n REAL,ALLOCATABLE, SAVE :: CNVTC( :,:,: ) ! combined conversion factor\n REAL,ALLOCATABLE, SAVE :: CNVTI( : ) ! intermediate combined conv. factor\n REAL,ALLOCATABLE, SAVE :: CNVTI_M( :,:,: ) ! intermediate combined conv. factor for mpas\n REAL, SAVE :: CNVTP ! intermediate combined conv. factor\n REAL,ALLOCATABLE, SAVE :: CONVM( :,:,: ) ! Aerosol Mass and Surface Area conversion factor \n REAL,ALLOCATABLE, SAVE :: CONVN( :,:,: ) ! Aerosol Number conversion factor \n \n INTEGER :: LAYS, L, C, R, IVAR, NL, I\n INTEGER :: ISPEC, IDIAG, IP, JSPEC, JDIAG, KSPEC\n\n LOGICAL :: FIRST_TIME = .TRUE.\n CHARACTER( 586 ) :: XMSG\n\n ! Get pressure info from ASX_DATA_MOD\n IF ( FIRST_TIME ) THEN\n FIRST_TIME = .FALSE.\n#ifndef mpas\n CNVTP = 1.0E+06 * MWAIR / REAL( DX1 * DX2 ) !Conv. Factor for Gases \n#endif\n\n ALLOCATE( CNVTI( DESID_LAYS ), CNVTC( DESID_LAYS,NCOLS,NROWS ), \n & CONVM( DESID_LAYS,NCOLS,NROWS ),\n#ifdef mpas\n & CNVTI_M( NCOLS,NROWS,DESID_LAYS ),\n#endif\n & CONVN( DESID_LAYS,NCOLS,NROWS ),\n & VDEMIS( N_SPC_DIFF,DESID_LAYS,NCOLS,NROWS ),\n & VDEMIS_OUT( NCOLS,NROWS,DESID_LAYS ) )\n END IF !FirstTime\n \n VDEMIS = 0.0\n VDEMIS_OUT = 0.0\n\n ! Convert All Emissions to Units Appropriate for the Dispersion Solver\n#ifdef mpas\n CNVTI_M( :, 1, 1:NL ) = 1.0E+06 * MWAIR * inv_cell_vol(:, 1, 1:NL)\n#else\n CNVTI( 1:NL ) = CNVTP * Grid_Data%RDX3F( 1:NL )\n#endif\n DO L = 1,NL\n#ifdef mpas\n CNVTC( L,:,: ) = 1.0E3 / ( CNVTI_M( :,:,L ) * Met_Data%RRHOJ( :,:,L ) ) ! Gas Moles: ppmv/s -> mol/s\n#else\n CNVTC( L,:,: ) = 1.0E3 / ( CNVTI( L ) * Met_Data%RRHOJ( :,:,L ) ) ! Gas Moles: ppmv/s -> mol/s\n#endif\n CONVM( L,:,: ) = (1.0 / MWAIR) * GPKG * Met_Data%DENS( :,:,L ) ! Aer. Mass: ppmv/s -> umol/s\n & / Met_Data%RJACM( :,:,L ) * CELLVOL( :,:,L ) ! Aer. Surf: m2/mol/s -> m2/s\n END DO ! Aer. Num: N/mol/s -> N/s \n CONVN( 1:NL,:,: ) = CONVM( 1:NL,:,: ) \n\n !MAKE SURE TO APPLY RELEVANT UNIT CONVERSION TO EACH\n !TYPE OF VARIABLE (GAS, AEROSOL MASS, AEROSOL NUMBER,\n !AND AEROSOL SURFACE AREA)\n FORALL ( I = 1:N_SPC_DIFF, DIFF_MASK_GAS( I ) .OR.\n & DIFF_MASK_NR( I ) .OR.\n & DIFF_MASK_TRAC( I ) )\n & VDEMIS( I,1:NL,:,: ) = CNVTC( 1:NL,:,: ) * VDEMIS0( I,1:NL,:,:)\n\n FORALL ( I = 1:N_SPC_DIFF, DIFF_MASK_AERO( I ) .AND.\n & .NOT. DIFF_MASK_NUM( I ) .AND.\n & .NOT. DIFF_MASK_SRF( I ) )\n & VDEMIS( I,1:NL,:,: ) = CNVTC( 1:NL,:,: ) * VDEMIS0( I,1:NL,:,:) * DIFF_MW( I )\n\n FORALL ( I = 1:N_SPC_DIFF, DIFF_MASK_SRF( I ) )\n & VDEMIS( I,1:NL,:,: ) = CONVM( 1:NL,:,: ) * VDEMIS0( I,1:NL,:,:)\n\n FORALL ( I = 1:N_SPC_DIFF, DIFF_MASK_NUM( I ) )\n & VDEMIS( I,1:NL,:,: ) = CONVN( 1:NL,:,: ) * VDEMIS0( I,1:NL,:,:)\n\n ! Write out this stream to its diagnostic file or sum emissions\n ! for an aggregate diagnostic\n DO IDIAG = 1,DESID_N_DIAG\n IF ( DESID_DIAG_STREAM_MASK( ISRM,IDIAG ) ) THEN\n ! This Stream Contributes to IDIAG diagnostic\n LAYS = DESID_DIAG_LAYS( IDIAG )\n\n ! Loop over all diagnostic species\n DO ISPEC = 1,DESID_DIAG_SPEC( IDIAG )%NSPEC\n\n ! Sum up all of the diffused species relevant for this\n ! diagnostic species\n VDEMIS_OUT( :,:,: ) = 0.0\n DO IP = 1,DESID_DIAG_SPEC( IDIAG )%NPAIRS\n IF ( DESID_DIAG_SPEC( IDIAG )%MAP_toDIAG( IP )\n & .EQ. ISPEC ) THEN\n JSPEC = DESID_DIAG_SPEC( IDIAG )%MAP_toDIFF( IP )\n DO L = 1,NL\n VDEMIS_OUT( :,:,L ) = \n & VDEMIS_OUT( :,:,L ) + VDEMIS( JSPEC,L,:,: )\n END DO\n END IF\n END DO\n\n IF ( DESID_DIAG_FORMAT( IDIAG ) .EQ. 'COLSUM' )\n & VDEMIS_OUT(:,:,1) = SUM( VDEMIS_OUT( :,:,1:NL ),3 )\n\n IF ( DESID_DIAG_N_STREAM( IDIAG ) .EQ. 1 ) THEN\n ! Only this stream contributes. Write emisison\n ! rates out directly\n#ifndef mpas\n IF ( .NOT. WRITE3( DESID_DIAG_LOGICAL(IDIAG), DESID_DIAG_SPEC(IDIAG)%SPEC(ISPEC),\n & JDATE, JTIME, VDEMIS_OUT( :,:,1:LAYS ) ) ) THEN\n XMSG = 'Could not write ' // TRIM( DESID_DIAG_FILENAME(IDIAG) ) // ' file'\n CALL M3EXIT( 'WRITE_EMISS_DIAG', JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n#endif\n ELSE\n ! Other streams contribute as well. Sum these emission\n ! rates to an aggregate array, VDEMIS_DIAG\n KSPEC = MAP_DIAGtoVDEMIS( ISPEC,IDIAG )\n VDEMIS_DIAG( KSPEC,:,:,1:LAYS ) = VDEMIS_DIAG( KSPEC,:,:,1:LAYS ) + \n & VDEMIS_OUT( :,:,1:LAYS )\n END IF\n END DO\n END IF\n END DO\n\n END SUBROUTINE DESID_CALC_DIAG\n \n!-----------------------------------------------------------------------\n SUBROUTINE DESID_WRITE_DIAG( JDATE, JTIME ) \n\n! Write out emissions diagnostic file\n!-----------------------------------------------------------------------\n \n IMPLICIT NONE\n\n INTEGER IDIAG, ISPEC, JSPEC\n INTEGER LAYS\n INTEGER JDATE, JTIME\n CHARACTER(200) :: XMSG\n\n#ifdef mpas\n CHARACTER (20) :: TIME_STAMP\n call mio_time_format_conversion (jdate, jtime, time_stamp)\n#endif\n\n DO IDIAG = 1,DESID_N_DIAG\n\n IF ( DESID_DIAG_N_STREAM( IDIAG ) .GT. 1 ) THEN\n LAYS = DESID_DIAG_LAYS( IDIAG )\n\n\n DO ISPEC = 1,DESID_DIAG_SPEC( IDIAG )%NSPEC\n ! Write out the emissions data for this aggregate\n ! diagnostic\n JSPEC = MAP_DIAGtoVDEMIS( ISPEC,IDIAG )\n#ifndef mpas\n IF ( .NOT. WRITE3( DESID_DIAG_LOGICAL(IDIAG), DESID_DIAG_SPEC( IDIAG )%SPEC( ISPEC ),\n & JDATE, JTIME, VDEMIS_DIAG( JSPEC,:,:,1:LAYS ) ) ) THEN\n XMSG = 'Could not write ' // TRIM( DESID_DIAG_FILENAME(IDIAG) ) // ' file'\n CALL M3EXIT( 'WRITE_EMISS_DIAG', JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n#else\n call mio_fwrite('EMIS_DIAG',DESID_DIAG_SPEC( IDIAG )%SPEC(ISPEC ), \"write_emis\",\n & VDEMIS_DIAG( JSPEC,:,1,1 ) ,time_stamp)\n#endif\n END DO\n END IF\n END DO \n\n\n END SUBROUTINE DESID_WRITE_DIAG\n\nC-----------------------------------------------------------------------\n SUBROUTINE DESID_PROCESS_RULES( JDATE, JTIME )\n\nC Check the chemical species from the namelists and AERO_DATA against\nC the species that are available on the actual emissions input files. If\nC they do not agree, print warnings or crash the program depending on\nC how severe the error is.\nC\nC 16 Mar 2017 B.Murphy Created Subroutine\nC 10 Sep 2017 B.Murphy Revised Emissions Mapping Approach\nC 08 Nov 2017 B.Murphy Vectorized Emission Maps to allow for \nC unlimited emissions streams\nC-----------------------------------------------------------------------\n\n USE VDIFF_MAP, only : DIFF_SPC, ! Name for every Diffusion Module Species \n & DIFF_MASK_GAS, DIFF_MASK_AERO, DIFF_MASK_NR, \n & DIFF_MASK_TRAC, DIFF_MW\n USE UTILIO_DEFN\n USE AERO_DATA, only : N_MODE, AEROSPC, ! Aerosol Properties Table\n & N_AEROSPC, AEROMODE, MODESUFF, DESID_AERO_REF\n USE AERO_EMIS, only : MAP_NUMtoISTR, MAP_SRFtoISTR, MAP_ISTRtoAERO, MAP_ISTRtoMODE, \n & MAP_ISTRtoNUM, MAP_ISTRtoSRF, MAP_ISTRtoSD,\n & DESID_STREAM_AERO, SD_SPLIT, DESID_INIT_SIZE_DIST\n USE UDTYPES, only : CARRY1, LARRY1\n USE UTIL_FAMILY_MODULE\n#ifdef mpas\n use util_module, only : index1, upcase\n#endif\n\n IMPLICIT NONE\n\n INTEGER, INTENT(IN) :: JDATE, JTIME\n INTEGER :: N_UNUSED, REGNUM, N_USED\n\n INTEGER :: STRT, PTSTRT, ISPC, IDX, IX, IEMVAR, IRULE, IAREA,\n & N, IM, IAERO, V, ISRM, NSPC, IA, IDIFF, JDX, JM,\n & ISTR, IEM, KDX, JSD, JEM, ISD,\n & IFAC, IRGN, ISTRN, NFAC, NREG, NCHEM, ICHEM, IFAM, \n & IRGN2, N_EMVAR_CATCH, ICATCH, F, N_REG_RMDR, JRGN, K,\n & KRGN, I, J, JFAC\n REAL :: AERO_SPLIT, UNIT_FAC_1, UNIT_FAC_2, EMVAR_MW, \n & SPEC_MW, BASIS_FAC, FAC\n\n LOGICAL :: LERROR, LFOUND, L_WDIFF, L_WISD, LTEST\n LOGICAL :: LGAS_DIFF, LGAS_EMVAR, L_CATCH, LSUBSUB\n \n CHARACTER( 16 ) :: SPECNAME, SN, SM, EMVAR_CATCH( 200 )\n\n CHARACTER( 16 ) :: PNAME = 'DESID_PROCESS_RULES'\n CHARACTER( 100) :: VARDESC\n INTEGER :: STATUS\n\n CHARACTER( 500 ) :: XMSG\n CHARACTER( 16 ) :: B\n CHARACTER( 20 ) :: REFNAME\n \n INTEGER, PARAMETER :: NI0 = 3000\n LOGICAL, ALLOCATABLE, SAVE :: RULE_STREAM( : ), RULE_SPEC( : )\n TYPE( LARRY1 ), ALLOCATABLE, SAVE :: RULE_EMVAR( : ), RULE_PHASE( : )\n INTEGER, PARAMETER :: N_SCALEFAC = 100\n LOGICAL :: LSPEC_KEY, LEMVAR_KEY\n CHARACTER( 16 ) :: CHEM_NAME( 150 )\n LOGICAL :: LERROR2, LERROR3( 150 )\n \n INTEGER :: IC, N_TASKS\n INTEGER, PARAMETER :: NT0 = 4000000\n INTEGER :: TASK_IDIFF( NT0 )\n INTEGER :: TASK_ISRM ( NT0 )\n INTEGER :: TASK_IEMVAR( NT0)\n CHARACTER( 16 ) :: TASK_SPEC ( NT0 )\n CHARACTER( 16 ) :: TASK_EMVAR( NT0 )\n INTEGER :: TASK_PHASE( NT0 )\n\n REAL, ALLOCATABLE :: LOCAL_FAC( :,:,: )\n REAL, ALLOCATABLE :: LOCAL_FAC_BULK( :,:,: )\n CHARACTER( 1 ), ALLOCATABLE :: LOCAL_OP( :,:,: )\n CHARACTER( 4 ), ALLOCATABLE :: LOCAL_BASIS( :,:,: )\n REAL, ALLOCATABLE :: LOCAL_CONV( :,:,: )\n INTEGER, ALLOCATABLE :: LOCAL_REG( :,:,: )\n INTEGER :: N_RULE, N_AREA\n LOGICAL :: LREMOVE, LERROR4\n INTEGER, ALLOCATABLE :: REG_UNQ( : )\n LOGICAL, ALLOCATABLE :: LSUB( : )\n LOGICAL :: LREG_RMDR\n REAL, ALLOCATABLE :: RMDR_MASK( :,: )\n\nC Retrieve Environment Variable Letting User Ignore this Check\nC and allowing the model to proceed.\n CALL LOG_SUBHEADING( LOGDEV, \"Check Emissions Mapping\" )\n\n WRITE( LOGDEV, '(/,/,5x,A)' ), REPEAT( '=', 77 )\n WRITE( LOGDEV, '(5x,A,A)' ), '|> SCALING EMISSIONS CONSISTENT WITH ',\n & 'EMISSIONS CONTROL FILE SUPPLIED BY USER' \n WRITE( LOGDEV, '(5x,A)' ), REPEAT( '=', 77 )\n \n! Write Out Region Diagnostic Information\n WRITE( LOGDEV, '(/,5x,A)' ),'|> Regions Available for Scaling:'\n WRITE( LOGDEV, '(5x,A)' ),'================================='\n\n ! Print Information about All the Available Regions for Scaling\n WRITE( LOGDEV,'(8x,A,2x,A,8x,A,10x,A)' ),'Number','Region Label','File Label','Variable'\n WRITE( LOGDEV,'(8x,A,2x,A,8x,A,10x,A)' ),'------','------------','----------','--------'\n DO IRGN = 1,DESID_N_REG\n WRITE( LOGDEV,'(8x,I3,5x,A18,2x,A18,2x,A)' ),IRGN, DESID_REG(IRGN)%LABEL( 1:18 ),\n & DESID_REG( IRGN )%File( 1:18 ), TRIM(DESID_REG( IRGN )%VAR ) \n IF ( DESID_REG(IRGN)%FILE(1:6) .EQ. 'Family' ) THEN\n F = INDEX1( DESID_REG(IRGN)%LABEL(1:18), DESID_N_REG_FAMS, REGIONFAMILYNAME )\n DO IRGN2 = 1,REGIONFAMILYNUM( F )\n WRITE( LOGDEV,'(56x,A)' ), REGIONFAMILYMEMBERS( F,IRGN2 )\n END DO\n END IF\n END DO\n\n! Retrieve the Emission Variables Available From Emissions Streams\n ! Load Default Molecular Weights and Units based on \n ! SMOKE/MOVES/SPECIATE specifications\n\n WRITE( LOGDEV, '(/,5x,A)' ),'|> Map Available Emissions Variables to Defaults:'\n WRITE( LOGDEV, '(5x,A)' ),'=================================================='\n N_EMVAR_CATCH = 0\n DO ISRM = 1,DESID_N_SRM\n\n IF ( ISRM .EQ. ISEASRM .OR. ISRM .EQ. IBIOSRM .OR. \n & ISRM .EQ. IDUSTSRM.OR. ISRM .EQ. ILTSRM .OR.\n & ISRM .EQ. IMGSRM .OR. ISRM .EQ. IMIOGSRM ) CYCLE\n\n ALLOCATE( DESID_EMVAR( ISRM )%MW ( DESID_EMVAR( ISRM )%LEN ) )\n ALLOCATE( DESID_EMVAR( ISRM )%USED ( DESID_EMVAR( ISRM )%LEN ) )\n ALLOCATE( DESID_EMVAR( ISRM )%CONV ( DESID_EMVAR( ISRM )%LEN ) )\n ALLOCATE( DESID_EMVAR( ISRM )%BASIS ( DESID_EMVAR( ISRM )%LEN ) )\n ALLOCATE( DESID_EMVAR( ISRM )%LAREA ( DESID_EMVAR( ISRM )%LEN ) )\n ALLOCATE( DESID_EMVAR( ISRM )%LAREAADJ( DESID_EMVAR( ISRM )%LEN ) )\n DESID_EMVAR( ISRM )%USED = .FALSE.\n DESID_EMVAR( ISRM )%LAREA = .FALSE.\n DESID_EMVAR( ISRM )%LAREAADJ= .FALSE.\n\n DO IEMVAR = 1,DESID_EMVAR( ISRM )%LEN\n ! Assign Default Molecular Weight to Each Emision Variable\n B = DESID_EMVAR( ISRM )%ARRY( IEMVAR )\n IA = INDEX1( B, DESID_N_EMVAR_TABLE, DESID_EMVAR_TABLE( : )%NAME )\n IF ( IA .GT. 0 ) THEN\n DESID_EMVAR( ISRM )%MW ( IEMVAR ) = DESID_EMVAR_TABLE( IA )%MW\n ELSE\n ! Emission Variable is not calculated online nor does it\n ! belong to the default list of commonly used\n ! variables.\n DESID_EMVAR( ISRM )%MW ( IEMVAR ) = 1.0\n\n ! Only Write a Note to the User if this species hasn't\n ! been caught from a different stream already\n IF ( N_EMVAR_CATCH .EQ. 0 .OR.\n & INDEX1( B, 200, EMVAR_CATCH ) .EQ. 0 ) THEN\n N_EMVAR_CATCH = N_EMVAR_CATCH + 1\n EMVAR_CATCH( N_EMVAR_CATCH ) = B\n END IF\n END IF\n END DO\n\n END DO\n\n WRITE( LOGDEV, '(/,5x,A)' ),'|> Checking Emissions Em. Var. Units: '\n WRITE( LOGDEV, '(5x,A)' ),'======================================'\n DO ISRM = 1,DESID_N_SRM\n DO IEMVAR = 1,DESID_EMVAR( ISRM )%LEN\n ! Check Units and Assign Conversion Factors for\n ! translating [kmol or umol] -> mol, [kg or mg] -> g, and\n ! [s, min, hr] -> s\n CALL CHECK_EMIS_UNITS( ISRM, IEMVAR, \n & DESID_EMVAR( ISRM )%ARRY ( IEMVAR ),\n & DESID_EMVAR( ISRM )%UNITS( IEMVAR ), \n & DESID_EMVAR( ISRM )%CONV ( IEMVAR ),\n & DESID_EMVAR( ISRM )%BASIS( IEMVAR ),\n & DESID_EMVAR( ISRM )%LAREA( IEMVAR ) )\n ! Default for detecting area fluxes is to adjust to\n ! projected grid\n IF ( DESID_EMVAR( ISRM )%LAREA( IEMVAR ) ) \n & DESID_EMVAR( ISRM )%LAREAADJ( IEMVAR ) = .TRUE.\n END DO\n END DO\n\n! Process Area Normalization User Controls. Override Automatic defaults\n! with forced area normalization and/or projection adjustment.\n N_AREA = 0\n DO IAREA = 1,SIZE( DESID_AREA_NML )\n IF( DESID_AREA_NML( IAREA )%STREAM .EQ. '' ) EXIT\n N_AREA = IAREA\n END DO\n\n ALLOCATE( RULE_STREAM( DESID_N_SRM ) )\n DO IAREA = 1,N_AREA\n LREMOVE = .FALSE.\n CALL DESID_GET_RULE_STREAMS( DESID_AREA_NML( IAREA )%STREAM, \n & IAREA, RULE_STREAM, LREMOVE, LERROR4 )\n IF ( LREMOVE ) CYCLE\n\n ! If the 'ALL' keyword was used, set all of the online\n ! sources to false.\n IF ( DESID_AREA_NML(IAREA)%STREAM .EQ. 'ALL' ) THEN\n IF ( ISEASRM .GT. 0 ) RULE_STREAM( ISEASRM ) = .FALSE. \n IF ( IBIOSRM .GT. 0 ) RULE_STREAM( IBIOSRM ) = .FALSE. \n IF ( IDUSTSRM .GT. 0 ) RULE_STREAM( IDUSTSRM ) = .FALSE. \n IF ( ILTSRM .GT. 0 ) RULE_STREAM( ILTSRM ) = .FALSE. \n IF ( IMGSRM .GT. 0 ) RULE_STREAM( IMGSRM ) = .FALSE. \n IF ( IMIOGSRM .GT. 0 ) RULE_STREAM( IMIOGSRM ) = .FALSE. \n ENDIF \n \n DO ISRM = 1,DESID_N_SRM\n IF ( RULE_STREAM( ISRM ) ) THEN\n DO IEMVAR = 1,DESID_EMVAR( ISRM )%LEN\n ! Override Area Normalization if Requested\n IF ( DESID_AREA_NML( IAREA )%AREA .EQ. 'TRUE' ) THEN\n DESID_EMVAR( ISRM )%LAREA( IEMVAR ) = .TRUE.\n ELSEIF (DESID_AREA_NML( IAREA )%AREA .EQ. 'FALSE' ) THEN\n DESID_EMVAR( ISRM )%LAREA( IEMVAR ) = .FALSE.\n END IF\n ! Override Area Adjustment if Requested\n IF ( DESID_AREA_NML( IAREA )%ADJ .EQ. 'TRUE' ) THEN\n DESID_EMVAR( ISRM )%LAREAADJ( IEMVAR ) = .TRUE.\n ELSEIF (DESID_AREA_NML( IAREA )%ADJ .EQ. 'FALSE' ) THEN\n DESID_EMVAR( ISRM )%LAREAADJ( IEMVAR ) = .FALSE.\n END IF\n END DO\n END IF\n END DO\n\n END DO\n \n! Write Out All Available Stream Families to the Log File\n WRITE( LOGDEV, '(/,5x,A)' ),'|> Emission Stream Family Definitions:'\n WRITE( LOGDEV, '(5x,A)' ),'======================================'\n WRITE( LOGDEV,'(8x,A19,15x,A)' ),'Stream Family Label','Stream Family Members'\n WRITE( LOGDEV,'(8x,A19,15x,A)' ),'-------------------','---------------------'\n DO IFAM = 1,DESID_N_STREAM_FAMS\n WRITE( LOGDEV,'(8x,A32,2x,A)' ), STREAMFAMILYNAME( IFAM ), \n & STREAMFAMILYMEMBERS( IFAM,1 )\n IF ( STREAMFAMILYNUM( IFAM ) .GT. 1 ) THEN\n DO ISRM = 2,STREAMFAMILYNUM( IFAM )\n WRITE( LOGDEV,'(42x,A)' ), STREAMFAMILYMEMBERS( IFAM,ISRM )\n END DO\n END IF\n END DO\n\n! Write Out All Available Species Families to the Log File\n WRITE( LOGDEV, '(/,5x,A)' ),'|> CMAQ Species Family Definitions:'\n WRITE( LOGDEV, '(5x,A)' ),'======================================'\n WRITE( LOGDEV,'(8x,A20,14x,A)' ),'Species Family Label','Species Family Members'\n WRITE( LOGDEV,'(8x,A20,14x,A)' ),'--------------------','---------------------'\n DO IFAM = 1,N_CHEM_FAMS\n WRITE( LOGDEV,'(8x,A32,2x,A)' ), CHEMFAMILYNAME( IFAM ), \n & CHEMFAMILYMEMBERS( IFAM,1 )\n IF ( CHEMFAMILYNUM( IFAM ) .GT. 1 ) THEN\n DO ISRM = 2,CHEMFAMILYNUM( IFAM )\n WRITE( LOGDEV,'(42x,A)' ), CHEMFAMILYMEMBERS( IFAM,ISRM )\n END DO\n END IF\n END DO\n\n! Set up Stream <-> Size Distribution relationship. This routine\n! populates the DESID_STREAM_AERO structure which tells the logic below which\n! modes are present on which streams.\n WRITE( LOGDEV, '(/,5x,A)' ),'|> Mapping Particle Size Distributions to Each Emission Stream:'\n WRITE( LOGDEV, '(5x,A)' ),'==============================================================='\n CALL DESID_INIT_SIZE_DIST( JDATE, JTIME )\n\n! Process Default Emissions Mapping (if requested in namelist; i.e. \n ALLOCATE( LOCAL_SPEC( NI0 ) ) ! CMAQ Species Names\n ALLOCATE( LOCAL_EMVAR( NI0,DESID_N_SRM ) ) ! Emission Variable Names\n ALLOCATE( LOCAL_FAC ( NI0,DESID_N_SRM,N_SCALEFAC ) ) ! Scale Factor\n ALLOCATE( LOCAL_FAC_BULK( NI0,DESID_N_SRM,N_SCALEFAC ) ) ! Bulk Scale Factor For Printing to Diagnostic\n ALLOCATE( LOCAL_OP( NI0,DESID_N_SRM,N_SCALEFAC ) ) ! Operator for scaling rule\n ALLOCATE( LOCAL_REG( NI0,DESID_N_SRM,N_SCALEFAC ) ) ! Region Index\n ALLOCATE( LOCAL_BASIS ( NI0,DESID_N_SRM,N_SCALEFAC ) ) ! Mass or Mole Basis for Conversion\n ALLOCATE( LOCAL_CONV ( NI0,DESID_N_SRM,N_SCALEFAC ) ) ! Conversion Factor\n ALLOCATE( MAP_ISTRtoDIFF( NI0 ) ) ! Map from Instruction to Dispersed species \n ALLOCATE( MAP_ISTRtoEMVAR(NI0,DESID_N_SRM ) ) ! Map from Instruction to Emission Variable \n ALLOCATE( MAP_ISTRtoGAS( NI0 ) ) ! Map from Instruction to Gas Index\n ALLOCATE( MAP_ISTRtoAERO( NI0 ) ) ! Map from Instruction to Aerosol Index \n ALLOCATE( MAP_ISTRtoMODE( NI0 ) ) ! Map from Instruction to Aerosol Mode\n ALLOCATE( MAP_ISTRtoNUM ( NI0 ) ) ! Map from Instruction to Number Index\n ALLOCATE( MAP_ISTRtoSRF ( NI0 ) ) ! Map from Instruction to Surface Area Index\n ALLOCATE( MAP_ISTRtoSD ( NI0,DESID_N_SRM ) ) ! Map from Instruction to Size Distribution Ref\n ALLOCATE( DESID_STREAM_DIFF( N_SPC_DIFF,DESID_N_SRM ) ) \n \n LOCAL_SPEC = \"\"\n LOCAL_EMVAR = \"\"\n LOCAL_FAC = 0.0\n LOCAL_FAC_BULK = 0.0 ! Output. Ignores aero_split and unit conversion\n LOCAL_OP = \"\" ! Output. Ignores aero_split and unit conversion\n LOCAL_REG = 1 ! Output. Ignores aero_split and unit conversion\n LOCAL_BASIS = \"\"\n LOCAL_CONV = 1.0\n MAP_ISTRtoDIFF = 0 ! to Diffusion Vector\n MAP_ISTRtoEMVAR= 0 ! to EMission Variabl Location on File\n MAP_ISTRtoGAS = 0 ! to aerosol table\n MAP_ISTRtoAERO = 0 ! to aerosol table\n MAP_ISTRtoMODE = 0 ! to CMAQ aerosol mode\n MAP_ISTRtoNUM = 0 ! to aerosol number\n MAP_ISTRtoSRF = 0 ! to aerosol surface area\n MAP_ISTRtoSD = 0 ! to emissions aerosol mode\n DESID_STREAM_DIFF = .FALSE.\n\n ! Find all matches between the transported species list and the\n ! available variables from each stream. Apply a scale factor\n ! of 1 to these matches. For aerosols, the CMAQ species name\n ! may or may not include the mode suffix (eg. i, j, or k).\n ! Equivalence tests should be performed without a suffix on the\n ! variable name and with each suffix added in turn.\n\n DESID_N_ISTR = 0\n SPECNAME = ''\n\n! Insert Emissions Instructions for Aerosol Number and Surface Area,\n! if at least one aerosol species is being transported\n IF ( COUNT( DIFF_MASK_AERO ) .GT. 0 ) THEN\n DO IM = 1,N_MODE\n ! Aerosol Number\n LOCAL_SPEC( DESID_N_ISTR+1 ) = AEROMODE( IM )%NUM_NAME\n LOCAL_FAC ( DESID_N_ISTR+1,:,1 ) = 1.0\n LOCAL_FAC_BULK ( DESID_N_ISTR+1,:,1 ) = 1.0 \n LOCAL_BASIS( DESID_N_ISTR+1,:,1 ) = 'UNIT'\n LOCAL_CONV( DESID_N_ISTR+1,:,1 ) = 1.0\n LOCAL_OP ( DESID_N_ISTR+1,:,1 ) = \"a\"\n LOCAL_REG ( DESID_N_ISTR+1,:,1 ) = 1\n MAP_NUMtoISTR( IM ) = DESID_N_ISTR+1\n MAP_ISTRtoNUM( DESID_N_ISTR+1 ) = IM\n MAP_ISTRtoDIFF( DESID_N_ISTR+1 ) = \n & INDEX1( LOCAL_SPEC( DESID_N_ISTR+1 ), N_SPC_DIFF, DIFF_SPC )\n DESID_STREAM_DIFF( MAP_ISTRtoDIFF( DESID_N_ISTR+1 ),: ) = .TRUE.\n MAP_ISTRtoSD( DESID_N_ISTR+1, : ) = 0\n\n ! Aerosol Surface Area\n LOCAL_SPEC( DESID_N_ISTR+2 ) = AEROMODE( IM )%SRF_NAME\n LOCAL_FAC ( DESID_N_ISTR+2,:,1 ) = 1.0\n LOCAL_FAC_BULK ( DESID_N_ISTR+2,:,1 ) = 1.0 \n LOCAL_BASIS( DESID_N_ISTR+2,:,1 ) = 'UNIT'\n LOCAL_CONV( DESID_N_ISTR+2,:,1 ) = 1.0\n LOCAL_OP ( DESID_N_ISTR+2,:,1 ) = \"a\"\n LOCAL_REG ( DESID_N_ISTR+2,:,1 ) = 1\n MAP_SRFtoISTR( IM ) = DESID_N_ISTR+2\n MAP_ISTRtoSRF( DESID_N_ISTR+2 ) = IM\n MAP_ISTRtoDIFF( DESID_N_ISTR+2 ) = \n & INDEX1( LOCAL_SPEC( DESID_N_ISTR+2 ), N_SPC_DIFF, DIFF_SPC )\n DESID_STREAM_DIFF( MAP_ISTRtoDIFF( DESID_N_ISTR+2 ),: ) = .TRUE.\n MAP_ISTRtoSD( DESID_N_ISTR+2, : ) = 0\n\n DESID_N_ISTR = DESID_N_ISTR + 2\n END DO\n END IF\n\n! Process User-Defined Emissions Scaling Rules. \n CALL LOG_SUBHEADING( LOGDEV, 'Reading and Storing Emission Scaling Rules' )\n\n ! Find Total Number of Rules\n N_RULE = 0\n DO IRULE = 1,SIZE( DESID_RULES_NML )\n IF( DESID_RULES_NML( IRULE )%SPEC .EQ. '' ) EXIT\n N_RULE = IRULE\n END DO\n\n ! Implement Online Scaling Rules that are less exposed to users\n CALL DESID_GET_ONLINE_RULES( N_RULE )\n\n\n ! Allocate Rule->Instruction Transform Masks\n ALLOCATE( RULE_SPEC ( N_SPC_DIFF ) )\n ALLOCATE( RULE_EMVAR ( DESID_N_SRM ) )\n ALLOCATE( RULE_PHASE ( DESID_N_SRM ) )\n DO ISRM = 1,DESID_N_SRM\n N = DESID_EMVAR( ISRM )%LEN\n RULE_EMVAR( ISRM )%LEN = N\n ALLOCATE( RULE_EMVAR( ISRM )%ARRY( N ) )\n\n N = DESID_STREAM_AERO( ISRM )%LEN\n RULE_PHASE( ISRM )%LEN = N\n ALLOCATE( RULE_PHASE( ISRM )%ARRY( N ) )\n END DO\n \n ! Loop Through Emission Rules, Test for Fidelity, expand if necessary\n ! and Apply them to the instruction set that currently exists.\n DO IRULE = 1,N_RULE \n ! Exit this loop if the rule is blank\n IF ( DESID_RULES_NML( IRULE )%SPEC .EQ. '' ) EXIT \n\n ! Expand Rule To Individual Instructions. If the CMAQ\n ! Species, Stream Label, and Em. Variable are all single\n ! components, then there will just be one instruction. If\n ! any of them equal 'All' the number of instructions will\n ! grow correspondingly.\n\n !------ ------ ------ ------ ------ ------ -----\n ! First error check and expand the stream field\n ! This subroutine returns a logical vector, RULE_STREAM,\n ! which identifies which streams are affected by this rule.\n LREMOVE = .FALSE.\n CALL DESID_GET_RULE_STREAMS( DESID_RULES_NML( IRULE )%STREAM, \n & IRULE, RULE_STREAM, LREMOVE, LERROR4 )\n IF ( LREMOVE ) CYCLE\n\n !------ ------ ------ ------ ------ ---- \n ! Now error check and expand the emission variable field\n CALL UPCASE( DESID_RULES_NML( IRULE )%EMVAR )\n \n !Initialize Emission Variable Array for every Stream\n DO ISRM = 1,DESID_N_SRM\n RULE_EMVAR( ISRM )%ARRY = .FALSE.\n END DO\n LEMVAR_KEY = .FALSE.\n\n LERROR = .TRUE.\n IF ( DESID_RULES_NML( IRULE )%EMVAR .EQ. 'ALL' ) THEN\n ! Expand the Rule to Apply to All Emission Variables\n DO ISRM = 1,DESID_N_SRM\n IF ( .NOT. RULE_STREAM( ISRM ) ) CYCLE\n RULE_EMVAR( ISRM )%ARRY = .TRUE.\n LEMVAR_KEY = .TRUE.\n LERROR = .FALSE.\n END DO\n ELSE\n ! Determine if the Emission Variable Label Refers to A \n ! Family and if So, Apply the Rule to all members of that \n ! Family\n IFAM = INDEX1( DESID_RULES_NML( IRULE )%EMVAR, N_Chem_Fams, ChemFamilyName )\n IAERO = 0\n IF ( IFAM .GT. 0 ) \n & IAERO= INDEX1( ChemFamilyName(IFAM), N_AEROSPC, AEROSPC(:)%BULKNAME )\n IF ( IFAM .EQ. 0 .OR. IAERO .NE. 0 ) THEN\n ! This Emission Variable Label Does not match any families or this is an\n ! aerosol bulkname. Just look for one variable\n DO ISRM = 1,DESID_N_SRM\n IF ( .NOT.RULE_STREAM( ISRM ) ) CYCLE\n IDX = INDEX1( DESID_RULES_NML( IRULE )%EMVAR, DESID_EMVAR( ISRM )%LEN, \n & DESID_EMVAR( ISRM )%ARRY )\n IF ( IDX .NE. 0 ) THEN\n ! A matching Emission variable has been found\n RULE_EMVAR( ISRM )%ARRY( IDX ) = .TRUE.\n LERROR = .FALSE.\n END IF\n END DO\n END IF\n\n IF ( IFAM .NE. 0 .AND. IAERO .EQ. 0 ) THEN\n ! This is not an aerosol bulkname. Loop through all the \n ! members to assign emission variables\n NCHEM = ChemFamilyNum( IFAM )\n CHEM_NAME(1:NCHEM) = ChemFamilyMembers( IFAM,1:NCHEM )\n LEMVAR_KEY = .TRUE.\n \n DO ICHEM = 1,NCHEM\n LERROR3( ICHEM ) = .FALSE.\n LERROR2 = .TRUE.\n DO ISRM = 1,DESID_N_SRM\n IF ( .NOT. RULE_STREAM( ISRM ) ) CYCLE\n ! Find the Specific Species this Rule Identifies\n IDX = INDEX1( CHEM_NAME( ICHEM ), DESID_EMVAR( ISRM )%LEN, \n & DESID_EMVAR( ISRM )%ARRY )\n IF ( IDX .NE. 0 ) THEN\n RULE_EMVAR( ISRM )%ARRY( IDX ) = .TRUE.\n LERROR2 = .FALSE.\n END IF\n END DO\n IF ( LERROR2 ) THEN\n ! Store the index of the variables not found on\n ! any emission stream.\n LERROR3( ICHEM ) = .TRUE.\n END IF\n END DO \n IF ( .NOT. ANY( LERROR3 ) ) LERROR = .FALSE.\n END IF\n \n END IF\n \n IF ( LERROR ) THEN\n IF ( .NOT. EMISCHK ) THEN\n WRITE( LOGDEV, '(/,5x,A,/,5x,2A,/,5x,3A,3(/,5x,A))') \n & '*** ATTENTION **********************************************:',\n & 'The emission variable or member of family ',TRIM( DESID_RULES_NML( IRULE )%EMVAR ),\n & 'was not found in the emission stream(s) ',TRIM(DESID_RULES_NML(IRULE)%STREAM),' but the ',\n & 'CTM_EMISCHK environment variable set to False so simulation ',\n & 'will proceed.',\n & '*************************************************************'\n IF ( IFAM .NE. 0 ) THEN\n WRITE( LOGDEV, '(7x,A,/,7x,A,/,7x,A,1x,A )') \n & 'The emission variable field applied was a chemical family. The specific',\n & 'family member(s) that did not appear on requested emission stream(s)',\n & 'inputs was:'\n DO ICHEM = 1,NCHEM\n IF ( LERROR3( ICHEM ) ) WRITE( LOGDEV, '(20x,A)' ) TRIM( CHEM_NAME( ICHEM ) )\n END DO\n WRITE( LOGDEV, '(7x,A)' )\n & '*************************************************************'\n END IF\n CYCLE\n ELSE \n WRITE( LOGDEV, '(5x,A,/,5x,2A,/,5x,3A,7(/,5x,A))') \n & '*** ERROR **************************************************************:',\n & 'The emission variable or member of family ',TRIM( DESID_RULES_NML( IRULE )%EMVAR ),\n & ' is not found on the stream(s) ',TRIM(DESID_RULES_NML(IRULE)%STREAM),'.',\n & 'Use one of the below options to continue.', \n & '1) Change or remove this emission rule so that it refers to an existing emission variable.', \n & 'or',\n & '2) Change CTM_EMISCHK environment variable to False (F) in the runscript',\n & 'if model predictions are acceptable without using the above emissions.',\n & '*************************************************************************'\n IF ( IFAM .NE. 0 ) THEN\n WRITE( LOGDEV, '(7x,A,/,7x,A,/,7x,A,1x,A )') \n & 'The emission variable field applied was a chemical family. The specific',\n & 'family member(s) that did not appear on requested emission stream(s)',\n & 'inputs was:'\n DO ICHEM = 1,NCHEM\n IF ( LERROR3( ICHEM ) ) WRITE( LOGDEV, '(20x,A)' ) TRIM( CHEM_NAME( ICHEM ) )\n END DO\n WRITE( LOGDEV, '(7x,A)' )\n & '*************************************************************'\n END IF\n XMSG = 'Species with the missing emission variable ' \n & //'must have a variable found in at least one stream.'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END IF\n \n !------ ------ ------ ------ ------ ------\n ! Now Error Check and Expand the CMAQ Species Field\n CALL UPCASE( DESID_RULES_NML( IRULE )%SPEC )\n\n ! Initialize CMAQ Species Array\n RULE_SPEC = .FALSE.\n LSPEC_KEY = .FALSE.\n\n IF ( DESID_RULES_NML( IRULE )%SPEC .EQ. 'ALL' ) THEN\n ! Expand the Rule to Apply to All Species\n RULE_SPEC = .TRUE.\n LSPEC_KEY = .TRUE.\n ELSE \n ! Determine if the Species Label Refers to A Family and if So, \n ! Apply the Rule to all members of that Family\n IFAM = INDEX1( DESID_RULES_NML( IRULE )%SPEC, N_Chem_Fams, ChemFamilyName )\n IF ( IFAM .EQ. 0 ) THEN\n NCHEM = 1\n CHEM_NAME(1) = DESID_RULES_NML( IRULE )%SPEC\n ELSE\n NCHEM = ChemFamilyNum( IFAM )\n CHEM_NAME(1:NCHEM) = ChemFamilyMembers( IFAM,1:NCHEM )\n LSPEC_KEY = .TRUE.\n END IF\n\n DO ICHEM = 1,NCHEM\n ! Find the Specific Species this Rule Identifies\n IDX = INDEX1( CHEM_NAME( ICHEM ), N_SPC_DIFF, DIFF_SPC )\n JDX = INDEX1( CHEM_NAME( ICHEM ), N_AEROSPC, AEROSPC( : )%BULKNAME )\n IF ( IDX .NE. 0 ) THEN\n RULE_SPEC( IDX ) = .TRUE.\n ELSE IF ( JDX .NE. 0 ) THEN\n ! This is an aerosol species, and it is being\n ! identified with a bulk name (no mode suffix). \n ! We need to allow for all possible DIFF_SPC with\n ! all used suffixes\n SN = CHEM_NAME( ICHEM )\n DO IM = 1,N_MODE\n KDX = INDEX1( TRIM( SN )//MODESUFF( IM ), N_SPC_DIFF, DIFF_SPC )\n IF ( KDX .NE. 0 ) RULE_SPEC( KDX ) = .TRUE.\n END DO\n ELSE\n WRITE( LOGDEV, '(/,5A,/,A,/,A,/,A,/,A)' ),\n & 'Species ',TRIM(DESID_RULES_NML( IRULE )%SPEC),':',\n & TRIM(CHEM_NAME(ICHEM)),' was used in the Emissions',\n & ' Control Instructions Namelist but it is not a valid CMAQ ',\n & 'transported species or family. Please add it to one of the ',\n & 'input chemical namelists (ie. GC, AE, etc). Note that aerosol',\n & 'Number and Surface Area Species are not valid for scaling.'\n XMSG = 'Error in Emissions Map Processing.'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END DO\n END IF \n \n !------ ------ ------ ------ ------ ------\n ! Now Error Check and Expand the Phase Field\n CALL UPCASE( DESID_RULES_NML( IRULE )%PHASE )\n\n !Initialize Emission Variable Array for every Stream\n DO ISRM = 1,DESID_N_SRM\n RULE_PHASE( ISRM )%ARRY = .FALSE.\n END DO\n\n LERROR = .TRUE.\n DO ISRM = 1,DESID_N_SRM \n ! Skip this stream if it is not identified\n IF ( .NOT. RULE_STREAM( ISRM ) ) CYCLE \n\n IF ( DESID_RULES_NML( IRULE )%PHASE .EQ. 'ALL' ) THEN\n ! Expand the Rule to Apply to All Phases and Modes\n RULE_PHASE( ISRM )%ARRY = .TRUE.\n LERROR = .FALSE.\n ELSE IF ( DESID_RULES_NML( IRULE )%PHASE .EQ. 'AERO' ) THEN\n ! Expand the Rule to Apply to All Aerosol Modes\n RULE_PHASE( ISRM )%ARRY(2:) = .TRUE.\n LERROR = .FALSE.\n ELSE\n ! Find the Specific Phase/Mode this Rule Identifies\n IDX = INDEX1( DESID_RULES_NML( IRULE )%PHASE, DESID_STREAM_AERO( ISRM )%LEN, \n & DESID_STREAM_AERO( ISRM )%NAME )\n IF ( IDX .NE. 0 ) THEN\n RULE_PHASE( ISRM )%ARRY( IDX ) = .TRUE.\n LERROR = .FALSE.\n END IF\n END IF\n END DO\n \n IF ( LERROR ) THEN\n WRITE( LOGDEV, '(A,/,2A,/,A,/,A,I3,A1,/,A)') \n & '*****************************ERROR***************************************:',\n & 'The phase or mode ',TRIM( DESID_RULES_NML( IRULE )%PHASE ),\n & ' is not found in any of the emission streams you are requesting for ',\n & 'emission rule ',IRULE,'.',\n & '*************************************************************************'\n WRITE( LOGDEV, * )\n XMSG = 'Species with the missing mode ' \n & //'must have a mode found in at least one stream.'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n \n !------ ------ ------ ------ ------ ------\n ! Now Error Check the Region Field\n CALL UPCASE( DESID_RULES_NML( IRULE )%REGION )\n\n ! Check that the Region has been defined\n LERROR = .TRUE.\n DO IRGN = 1,DESID_N_REG \n IF ( DESID_RULES_NML( IRULE )%REGION .EQ. \n & DESID_REG( IRGN )%LABEL ) THEN \n REGNUM = IRGN\n LERROR = .FALSE.\n END IF\n END DO\n \n IF ( LERROR ) THEN\n WRITE( LOGDEV, '(A,/,2A,/,A,/,A,/,A)') \n & '*****************************ERROR***************************************:',\n & 'The Region ',TRIM( DESID_RULES_NML( IRULE )%REGION ),\n & ' is not found in any of the regions defined',\n & ' in the Emission Control File.',\n & '*************************************************************************'\n WRITE( LOGDEV, * )\n XMSG = 'Regions used in the Emissions Scaling must ' \n & //'be defined on the Emission Control File.'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n \n !------ ------ ------ ------ ------\n ! Check the Operation Identifier for errors\n IF ( DESID_RULES_NML( IRULE )%OP .NE. 'a' .AND.\n & DESID_RULES_NML( IRULE )%OP .NE. 'm' .AND.\n & DESID_RULES_NML( IRULE )%OP .NE. 'o' ) THEN\n WRITE( LOGDEV, * )\n WRITE( XMSG, '(/,A,A,A,I3,A,A,A)' ),\n & 'The Emissions Operator (',DESID_RULES_NML( IRULE )%OP,\n & ') applied for Rule ',IRULE,' in the Emissions Control ',\n & 'Namelist does not match any of the allowed values (a, m, or o)',\n & '. Please check the your emissions control inputs.'\n WRITE( LOGDEV, * )TRIM( XMSG )\n XMSG = 'Error in Emissions Map Processing.'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n \n !------ ------ ------ ------ ------ ------ ------\n ! Order the indivdual tasks in this rule into one\n ! vector of instructions. The operator, scale factor, and\n ! region for each of these tasks will be uniform because \n ! they apply to the entire rule\n N_TASKS = 0\n DO IDIFF = 1,N_SPC_DIFF\n IF ( RULE_SPEC( IDIFF ) ) THEN\n DO ISRM = 1,DESID_N_SRM\n IF ( RULE_STREAM( ISRM ) ) THEN\n DO IEMVAR = 1,DESID_EMVAR( ISRM )%LEN \n IF ( RULE_EMVAR( ISRM )%ARRY( IEMVAR ) ) THEN\n DO ISD = 1,DESID_STREAM_AERO( ISRM )%LEN\n IF ( RULE_PHASE( ISRM )%ARRY( ISD ) ) THEN\n\n LTEST = .TRUE.\n \n ! If this task applies to a Gas CMAQ species, make\n ! sure the aerosol phases are not invoked so that \n ! double-counting is avoided\n IF ( .NOT. DIFF_MASK_AERO( IDIFF ) .AND. \n & DESID_STREAM_AERO( ISRM )%NAME( ISD ) .NE. 'GAS' )\n & LTEST = .FALSE.\n\n ! If this task applies to an aerosol CMAQ species,\n ! then make sure that the 'mode' selection will apply\n ! mass to this CMAQ species, DIFF_SPC( IDIFF ).\n ! Because CMAQ species are resolved in modes, it\n ! could be that this 'mode' selection will not put\n ! any mass in this species. For example, if this\n ! species is for the Aitken mode, but the selection\n ! was meant to populate the coarse mode.\n IF ( DIFF_MASK_AERO( IDIFF ) ) THEN\n DO IAERO = 1,N_AEROSPC\n IM = INDEX1( DIFF_SPC( IDIFF ), N_MODE,\n & AEROSPC( IAERO )%NAME( : ) )\n IF ( IM .GT. 0 ) THEN\n IF ( DESID_STREAM_AERO( ISRM )%FACNUM( ISD,IM ) \n & .LE. 1.0e-10 ) LTEST = .FALSE.\n END IF\n END DO\n END IF\n\n ! If any family name was used for the Emission Variable \n ! and Species fields and those family or keyword\n ! names match, then only exact matches or existing \n ! relationships should be populated.\n IF ( (LEMVAR_KEY .AND. LSPEC_KEY ) .AND.\n & (DESID_EMVAR( ISRM )%ARRY( IEMVAR ) .NE. \n & DIFF_SPC( IDIFF ) ) ) THEN\n ! Look for this relationship in at least one\n ! of the existing instructions\n LTEST = .FALSE.\n DO ISTRN = 1,DESID_N_ISTR\n IF ( LOCAL_SPEC( ISTRN ) .EQ. DIFF_SPC( IDIFF ) .AND.\n & LOCAL_EMVAR( ISTRN,ISRM ) .EQ. \n & DESID_EMVAR( ISRM )%ARRY( IEMVAR ) ) THEN\n LTEST = .TRUE.\n END IF\n END DO\n END IF\n\n ! Add a Task for this combination of CMAQ\n ! Species, Stream, Em. Variable, and Phase \n ! if the test for validity (LTEST) is still \n ! TRUE\n IF ( LTEST ) THEN\n N_TASKS = N_TASKS + 1\n TASK_IDIFF( N_TASKS ) = IDIFF\n TASK_ISRM ( N_TASKS ) = ISRM\n TASK_IEMVAR(N_TASKS ) = IEMVAR\n TASK_SPEC ( N_TASKS ) = DIFF_SPC( IDIFF )\n TASK_EMVAR( N_TASKS ) = DESID_EMVAR(ISRM)%ARRY(IEMVAR)\n TASK_PHASE( N_TASKS ) = ISD\n END IF\n END IF\n END DO\n END IF\n END DO\n END IF\n END DO\n END IF\n END DO\n \n !------ ------ ------ ------ ------ ------\n ! Modify the Emissions Instruction Set Based on this Rule\n IF ( DESID_RULES_NML( IRULE )%OP .EQ. 'a' ) THEN\n ! Add this rule to existing instructions\n DO IC = 1,N_TASKS\n ! This entry needs to be created, but first we need\n ! to check whether to add it as a new row or add it\n ! to a previous row. We can add to a previous row\n ! if the CMAQ species matches exactly, there is no \n ! em. var present for this stream, and the same\n ! Emissions Variable is being used for another \n ! stream.\n LFOUND = .FALSE.\n ! Look For a suitable previous instruction to add to.\n IF ( DESID_N_ISTR .GT. 0 ) THEN\n DO ISTRN = 1,DESID_N_ISTR\n IF ( ! The CMAQ species for this instruction matches\n ! the CMAQ species in the rule\n & LOCAL_SPEC( ISTRN ) .EQ. TASK_SPEC( IC ) .AND.\n ! The instruction emission file variable\n ! matches that of the rule\n & ( ( LOCAL_EMVAR( ISTRN, TASK_ISRM( IC ) ) .EQ.\n & TASK_EMVAR( IC ) ) .OR.\n ! The instruction has no emission file variable assigned \n ! yet and one is available on this stream.\n & ( LOCAL_EMVAR( ISTRN, TASK_ISRM( IC ) ) .EQ. '' .AND.\n & ANY( LOCAL_EMVAR( ISTRN,: ) .EQ. TASK_EMVAR( IC ))) )\n & ) THEN\n ! Add This Command to Instruction number ISTR\n ISTR = ISTRN\n LFOUND = .TRUE.\n END IF\n END DO\n END IF\n\n ! If no suitable instruction was found to add to, add a new\n ! instruction. This means either there was no previous\n ! instruction with the same CMAQ species and emission variable \n ! or there was an instruction with this CMAQ species but it \n ! already had an emission variable and scale factor associated \n ! with this stream.\n IF ( .NOT. LFOUND ) THEN\n DESID_N_ISTR = DESID_N_ISTR + 1\n ISTR = DESID_N_ISTR\n\n LOCAL_SPEC( ISTR ) = TASK_SPEC( IC )\n MAP_ISTRtoDIFF( ISTR ) = TASK_IDIFF( IC )\n\n ! Link this row to the Aerosol or Gas Species\n IF ( DIFF_MASK_AERO( TASK_IDIFF( IC ) ) ) THEN\n DO IAERO = 1,N_AEROSPC\n JM = INDEX1( LOCAL_SPEC( ISTR ), N_MODE, AEROSPC( IAERO )%NAME( : ) )\n IF ( JM .GT. 0 ) THEN\n MAP_ISTRtoAERO( ISTR ) = IAERO\n MAP_ISTRtoMODE( ISTR ) = JM\n END IF\n END DO\n ELSE\n MAP_ISTRtoGAS( ISTR ) = TASK_IDIFF( IC )\n END IF\n END IF\n \n ! Now that the instruction location has either been\n ! found or created, populate it.\n ISRM = TASK_ISRM( IC )\n IEM = DESID_STREAM_AERO( ISRM )%REF( TASK_PHASE( IC ) )\n IEMVAR = TASK_IEMVAR( IC )\n \n LOCAL_EMVAR( ISTR, ISRM ) = TASK_EMVAR( IC )\n MAP_ISTRtoEMVAR( ISTR, ISRM ) = IEMVAR\n DESID_EMVAR( ISRM )%USED( IEMVAR ) = .TRUE.\n MAP_ISTRtoSD( ISTR, ISRM ) = TASK_PHASE( IC )\n DESID_STREAM_DIFF( TASK_IDIFF( IC ),ISRM ) = .TRUE.\n\n ! Only apply an aerosol size-split parameter if this\n ! species is an aerosol and if it is not from a dust \n ! or sea spray sector\n AERO_SPLIT = 1.0\n IF ( DIFF_MASK_AERO( TASK_IDIFF( IC ) ) .AND. \n & ISRM .NE. IDUSTSRM .AND. ISRM .NE. ISEASRM )\n & AERO_SPLIT = SD_SPLIT( TASK_IDIFF( IC ), IEM )\n\n ! Determine Next Free Location in Scale Factor Space\n ! (IFAC) so that the scale factor can be added.\n DO IFAC = 1,N_SCALEFAC\n IF ( LOCAL_OP( ISTR, ISRM, IFAC ) .EQ. '' ) THEN\n\n CALL CHECK_OP( DESID_RULES_NML( IRULE )%OP, IRULE )\n CALL CHECK_BASIS( DESID_RULES_NML( IRULE )%BASIS, IRULE )\n\n LOCAL_FAC ( ISTR, ISRM, IFAC ) = DESID_RULES_NML( IRULE)%FAC * AERO_SPLIT\n LOCAL_FAC_BULK(ISTR,ISRM,IFAC )= DESID_RULES_NML( IRULE)%FAC\n LOCAL_REG( ISTR, ISRM, IFAC ) = REGNUM\n LOCAL_OP( ISTR, ISRM, IFAC ) = DESID_RULES_NML( IRULE)%OP\n LOCAL_BASIS( ISTR, ISRM, IFAC )= DESID_RULES_NML( IRULE)%BASIS\n LOCAL_CONV ( ISTR, ISRM, IFAC )= DESID_EMVAR( ISRM )%CONV( IEMVAR )\n EXIT\n END IF\n END DO\n END DO\n ELSE\n ! Modify All Existing Instructions that Match this\n ! rule's parameters.\n DO IC = 1,N_TASKS\n ! Loop through existing instructions and find matches\n IF ( DESID_N_ISTR .GT. 0 ) THEN\n ISRM = TASK_ISRM( IC )\n DO ISTR = 1,DESID_N_ISTR\n IF ( LOCAL_SPEC( ISTR ) .EQ. TASK_SPEC( IC ) ) THEN\n IF ( LOCAL_EMVAR( ISTR, ISRM ) .EQ. TASK_EMVAR( IC ) .AND.\n & MAP_ISTRtoSD( ISTR,ISRM ) .EQ. TASK_PHASE( IC ) ) THEN\n \n IEMVAR = TASK_IEMVAR( IC )\n IEM = DESID_STREAM_AERO( ISRM )%REF( TASK_PHASE( IC ) )\n AERO_SPLIT = 1.0\n IF ( DIFF_MASK_AERO( TASK_IDIFF( IC ) ) .AND.\n & DESID_RULES_NML( IRULE )%OP .EQ. 'o' ) \n & AERO_SPLIT = SD_SPLIT( TASK_IDIFF( IC ), IEM )\n\n ! Determine Next Free Location in Scale Factor Space (IFAC) so \n ! that the scale factor can be added.\n DO IFAC = 1,N_SCALEFAC\n IF ( LOCAL_OP( ISTR, ISRM, IFAC ) .EQ. '' ) THEN\n\n CALL CHECK_OP( DESID_RULES_NML( IRULE )%OP, IRULE )\n CALL CHECK_BASIS( DESID_RULES_NML( IRULE )%BASIS, IRULE )\n\n LOCAL_FAC ( ISTR, ISRM, IFAC ) = DESID_RULES_NML( IRULE )%FAC * AERO_SPLIT\n LOCAL_FAC_BULK ( ISTR, ISRM, IFAC ) = DESID_RULES_NML( IRULE )%FAC\n LOCAL_REG( ISTR, ISRM, IFAC ) = REGNUM\n LOCAL_OP( ISTR, ISRM, IFAC ) = DESID_RULES_NML( IRULE )%OP\n LOCAL_BASIS( ISTR, ISRM, IFAC ) = DESID_RULES_NML( IRULE )%BASIS\n LOCAL_CONV( ISTR, ISRM, IFAC ) = DESID_EMVAR( ISRM )%CONV( IEMVAR )\n EXIT\n END IF\n END DO\n \n END IF\n END IF\n END DO\n ELSE\n WRITE( LOGDEV, '(5(/,A))' ),\n & 'ATTENTION: The emissions control file is ',\n & 'attempting to modify an existing instruction, but ',\n & 'there are no compatible existing instructions. ',\n & 'Please check the configuration of the emission ',\n & 'control file.'\n END IF\n END DO\n END IF ! Operator\n END DO !IRULE\n\n ! Create Summarized Emission Scale Factor Structure that\n ! can be processed in the Emiss_Scaling subroutine every time\n ! step\n ALLOCATE( DESID_FAC( DESID_N_ISTR,DESID_N_SRM ) )\n ALLOCATE( REG_UNQ( N_SCALEFAC ) )\n ALLOCATE( DESID_REG_RMDR( 1000 ) )\n N_REG_RMDR = 0\n ALLOCATE( RMDR_MASK( NCOLS,NROWS ))\n ALLOCATE( LSUB( DESID_N_REG ) )\n\n DO ISTR = 1,DESID_N_ISTR\n DO ISRM = 1,DESID_N_SRM\n DESID_FAC( ISTR,ISRM )%NFAC = 0\n IF ( MAP_ISTRtoEMVAR( ISTR,ISRM ) .NE. 0 ) THEN\n\n ! First determine number of emission scale factors (NFAC) and\n ! number of unique regions (NREG) that are specified for this \n ! instruction and stream combination\n NFAC = 1\n NREG = 1\n REG_UNQ(:) = 1\n DO IFAC = 2,N_SCALEFAC\n IF ( LOCAL_OP( ISTR,ISRM,IFAC ) .EQ. '' ) EXIT\n NFAC = NFAC + 1 \n \n ! Determine whether the region for this factor is\n ! unique for this combination of ISTR and ISRM\n IF ( COUNT( REG_UNQ(1:NREG) .eq. \n & LOCAL_REG( ISTR,ISRM,IFAC ) ) .eq. 0 ) THEN\n NREG = NREG + 1\n REG_UNQ( NREG ) = LOCAL_REG( ISTR,ISRM,IFAC )\n END IF\n END DO\n\n ! Determine if two active regions contain one or more \n ! identical Sub-Regions. If they do, then add that common\n ! sub-region as an active region.\n IF ( NREG .GT. 1 ) THEN\n DO IRGN = 1,NREG-1\n DO JRGN = IRGN+1,NREG\n I = REG_UNQ( IRGN )\n J = REG_UNQ( JRGN )\n ! Skip if one of these Regions is a Sub-Region of the other\n IF ( DESID_REG_SUB(I,J) .OR. DESID_REG_SUB(J,I) ) CYCLE\n DO K = 1,DESID_N_REG\n ! Check if IRGN and JRGN have a common Sub-Region \n ! and that that sub-region is not an active region\n IF ( DESID_REG_SUB(I,K) .AND. DESID_REG_SUB(J,K) .AND.\n#ifndef mpas\n & INDEXINT1( K, NREG, REG_UNQ(1:NREG) ) .EQ. 0 ) THEN\n#else\n & INDEX1( K, NREG, REG_UNQ(1:NREG) ) .EQ. 0 ) THEN\n#endif\n ! Add Sub-Region K to Active Region List\n NREG = NREG + 1\n REG_UNQ( NREG ) = K\n \n ! Add a factor to zero out this Sub-Region\n NFAC = NFAC + 1\n LOCAL_REG( ISTR,ISRM,NFAC ) = K\n LOCAL_OP ( ISTR,ISRM,NFAC ) = 'o'\n LOCAL_FAC( ISTR,ISRM,NFAC ) = 0.\n LOCAL_FAC_BULK( ISTR,ISRM,NFAC ) = 0.\n LOCAL_BASIS( ISTR,ISRM,NFAC ) = 'UNIT'\n LOCAL_CONV( ISTR,ISRM,NFAC ) = 1.0\n \n ! Add Factors for this Sub-Region to the\n ! Instruction set\n DO IFAC = 1,NFAC-1\n IF ( LOCAL_REG( ISTR,ISRM,IFAC ) .EQ. K .OR.\n & DESID_REG_SUB( LOCAL_REG(ISTR,ISRM,IFAC), K) ) THEN\n ! Region K is a Sub-Region of the Region in this instruction\n NFAC = NFAC + 1\n LOCAL_REG( ISTR,ISRM,NFAC ) = K\n LOCAL_OP ( ISTR,ISRM,NFAC ) = LOCAL_OP ( ISTR,ISRM,IFAC ) \n LOCAL_FAC( ISTR,ISRM,NFAC ) = LOCAL_FAC( ISTR,ISRM,IFAC ) \n LOCAL_FAC_BULK( ISTR,ISRM,NFAC )= LOCAL_FAC_BULK( ISTR,ISRM,IFAC )\n LOCAL_BASIS( ISTR,ISRM,NFAC ) = LOCAL_BASIS( ISTR,ISRM,IFAC ) \n LOCAL_CONV( ISTR,ISRM,NFAC ) = LOCAL_CONV( ISTR,ISRM,IFAC ) \n END IF \n END DO\n END IF\n END DO\n END DO\n END DO\n END IF\n\n ! Allocate and Prepopulate Emission Factor Structure\n DESID_FAC( ISTR,ISRM )%NFAC = NFAC\n DESID_FAC( ISTR,ISRM )%NREG = NREG\n ALLOCATE( DESID_FAC( ISTR,ISRM )%FAC( NFAC ) )\n ALLOCATE( DESID_FAC( ISTR,ISRM )%BULK( NFAC ) )\n ALLOCATE( DESID_FAC( ISTR,ISRM )%BASIS( NFAC ) )\n ALLOCATE( DESID_FAC( ISTR,ISRM )%AREA( NFAC ) )\n ALLOCATE( DESID_FAC( ISTR,ISRM )%AREAADJ( NFAC ) )\n ALLOCATE( DESID_FAC( ISTR,ISRM )%REG( NFAC ) )\n ALLOCATE( DESID_FAC( ISTR,ISRM )%OP( NFAC ) )\n ALLOCATE( DESID_FAC( ISTR,ISRM )%REG_UNQ( NREG ) )\n ALLOCATE( DESID_FAC( ISTR,ISRM )%REG_RMDR( NREG ) )\n\n DESID_FAC( ISTR,ISRM )%FAC = 0.\n DESID_FAC( ISTR,ISRM )%BULK = 0.\n DESID_FAC( ISTR,ISRM )%BASIS= 1.\n DESID_FAC( ISTR,ISRM )%AREA = .FALSE.\n DESID_FAC( ISTR,ISRM )%AREAADJ = .FALSE.\n DESID_FAC( ISTR,ISRM )%REG = 1\n DESID_FAC( ISTR,ISRM )%OP = 0\n DESID_FAC( ISTR,ISRM )%REG_UNQ= REG_UNQ( 1:NREG )\n DESID_FAC( ISTR,ISRM )%REG_RMDR= 0\n \n ! Populate remainder mask array of big regions by subtracting away \n ! their subsets\n DO IRGN = 1,NREG \n ! Move to the next region if this one has no sub-regions\n IF ( ALL( .NOT. DESID_REG_SUB( REG_UNQ(IRGN),: ) ) ) CYCLE\n\n ! Build vector of active sub-regions of this region\n LSUB(:) = .FALSE.\n DO JRGN = 1,NREG\n IF ( DESID_REG_SUB( REG_UNQ(IRGN),REG_UNQ(JRGN) ) )\n & LSUB( REG_UNQ(JRGN) ) = .TRUE.\n ! Region JRGN is a subdomain of Region IRGN \n END DO\n IF ( ALL( .NOT. LSUB(:) )) CYCLE ! No active sub-regions\n\n ! Check to see if this remainder mask has been calculated already.\n LREG_RMDR = .FALSE.\n DO K = 1,N_REG_RMDR\n IF ( DESID_REG_RMDR( K )%REG .EQ. REG_UNQ(IRGN) .AND.\n & ALL( DESID_REG_RMDR( K )%SUB(:) .EQV. LSUB(:) ) ) THEN\n ! Remainder mask already exists. Map to it.\n LREG_RMDR = .TRUE.\n DESID_FAC( ISTR,ISRM )%REG_RMDR( IRGN ) = K\n EXIT\n END IF\n END DO\n IF ( LREG_RMDR ) CYCLE\n\n ! If there's no remainder mask already, add one\n N_REG_RMDR = N_REG_RMDR + 1\n ! Identify Large Region\n DESID_REG_RMDR( N_REG_RMDR )%REG = REG_UNQ(IRGN)\n \n ! Identify active sub-regions\n ALLOCATE( DESID_REG_RMDR( N_REG_RMDR )%SUB( DESID_N_REG ) )\n DESID_REG_RMDR( N_REG_RMDR )%SUB(:) = LSUB(:)\n\n ! Calculate remainder mask\n ALLOCATE( DESID_REG_RMDR( N_REG_RMDR )%MASK( NCOLS,NROWS ))\n RMDR_MASK(:,:) = DESID_REG_FAC(:,:,REG_UNQ(IRGN) )\n DO JRGN = 1,NREG\n ! Make sure this sub-region is not a sub-region of\n ! another active sub-region\n LSUBSUB = .FALSE.\n DO KRGN = 1,NREG\n IF ( KRGN .NE. IRGN .AND. LSUB(REG_UNQ(KRGN)) .AND. \n & DESID_REG_SUB( REG_UNQ(KRGN),REG_UNQ(JRGN) ) )\n & LSUBSUB = .TRUE.\n END DO\n IF ( LSUB(REG_UNQ(JRGN)) .AND. .NOT. LSUBSUB )\n & RMDR_MASK(:,:) = MAX( 0., RMDR_MASK(:,:) \n & - DESID_REG_FAC(:,:,REG_UNQ(JRGN) ))\n END DO\n DESID_REG_RMDR( N_REG_RMDR )%MASK(:,:) = RMDR_MASK(:,:)\n \n ! Assign this remainder mask to an active region\n ! for this factor stack\n DESID_FAC( ISTR,ISRM )%REG_RMDR( IRGN ) = N_REG_RMDR\n END DO\n\n ! Populate Local Indices for Chemical Species\n IEMVAR = MAP_ISTRtoEMVAR( ISTR,ISRM )\n EMVAR_MW= DESID_EMVAR( ISRM )%MW( IEMVAR ) ! MW [g mol-1]\n SPEC_MW = DIFF_MW( MAP_ISTRtoDIFF( ISTR ) )\n\n ! Populate Emission Factor Structure\n DO IFAC = 1,NFAC\n DESID_FAC( ISTR,ISRM )%FAC( IFAC ) = LOCAL_FAC ( ISTR, ISRM, IFAC ) \n DESID_FAC( ISTR,ISRM )%BULK( IFAC ) = LOCAL_FAC_BULK( ISTR, ISRM, IFAC )\n DESID_FAC( ISTR,ISRM )%REG( IFAC ) = LOCAL_REG( ISTR, ISRM, IFAC )\n DESID_FAC( ISTR,ISRM )%AREA( IFAC ) = DESID_EMVAR( ISRM )%LAREA(IEMVAR)\n DESID_FAC( ISTR,ISRM )%AREAADJ( IFAC )= DESID_EMVAR( ISRM )%LAREAADJ(IEMVAR)\n \n SELECT CASE ( LOCAL_OP( ISTR, ISRM, IFAC ) )\n CASE ( 'a' )\n DESID_FAC( ISTR,ISRM )%OP( IFAC ) = 1\n CASE ( 'm' )\n DESID_FAC( ISTR,ISRM )%OP( IFAC ) = 2\n CASE ( 'o' )\n DESID_FAC( ISTR,ISRM )%OP( IFAC ) = 3\n END SELECT\n\n ! Inspect all of the Emissions Instructions for conversion based on \n ! mass or moles. If there is a conversion, apply the correct factor\n ! based on species molecular weights.\n BASIS_FAC = 1.0\n IF ( LOCAL_BASIS( ISTR, ISRM, IFAC ) .EQ. 'UNIT' ) THEN\n BASIS_FAC = BASIS_FAC\n ELSE IF ( LOCAL_BASIS( ISTR, ISRM, IFAC ) .EQ. 'MOLE' ) THEN\n IF ( DESID_EMVAR( ISRM )%BASIS( IEMVAR ) .EQ. 'MOLE' ) THEN\n BASIS_FAC = BASIS_FAC\n ELSE IF ( DESID_EMVAR( ISRM )%BASIS( IEMVAR ) .EQ. 'MASS' ) THEN\n ! Convert emission variable rate to moles\n BASIS_FAC = BASIS_FAC / EMVAR_MW\n ELSE\n ! Unknown Basis has been encountered. Need to exit.\n WRITE( XMSG,'(A,A16,A,I3,A,A,A)' ),\n & 'ERROR: Emission Variable ',TRIM(DESID_EMVAR(ISRM)%ARRY(IEMVAR) ),\n & ' on emission stream ',ISRM, ' has units which are not recognized ',\n & 'as an emission rate. If you wish to use this variable for ',\n & 'emissions, please correct the units (e.g. g/s or moles/s).'\n CALL M3EXIT( 'EMIS_SPC_MAP', 0, 0, XMSG, 2 )\n END IF\n \n ! Check to see if this is an aerosol (mass-based)\n ! CMAQ species.\n IF ( .NOT. DIFF_MASK_AERO( MAP_ISTRtoDIFF( ISTR ) ) ) THEN\n BASIS_FAC = BASIS_FAC\n ELSE\n ! Convert species emission rate to mass\n BASIS_FAC = BASIS_FAC * SPEC_MW\n END IF\n\n ELSE IF ( LOCAL_BASIS( ISTR, ISRM, IFAC ) .EQ. 'MASS' ) THEN\n IF ( DESID_EMVAR( ISRM )%BASIS( IEMVAR ) .EQ. 'MOLE' ) THEN\n ! Convert emission variable rate to mass\n BASIS_FAC = BASIS_FAC * EMVAR_MW\n ELSE IF ( DESID_EMVAR( ISRM )%BASIS( IEMVAR ) .EQ. 'MASS' ) THEN\n BASIS_FAC = BASIS_FAC\n ELSE\n ! Unknown Basis has been encountered. Need to exit.\n WRITE( XMSG,'(A,A16,A,I3,A,A,A)' ),\n & 'ERROR: Emission Variable ',TRIM(DESID_EMVAR(ISRM)%ARRY(IEMVAR) ),\n & ' on emission stream ',ISRM, ' has units which are not recognized ',\n & 'as an emission rate. If you wish to use this variable for ',\n & 'emissions, please correct the units (e.g. g/s or moles/s).'\n CALL M3EXIT( 'EMIS_SPC_MAP', 0, 0, XMSG, 2 )\n END IF\n\n ! Check to see if this is an aerosol (mass-based)\n ! CMAQ species.\n IF ( .NOT. DIFF_MASK_AERO( MAP_ISTRtoDIFF( ISTR ) ) ) THEN\n ! Convert species emission rate to moles\n BASIS_FAC = BASIS_FAC / SPEC_MW\n ELSE\n BASIS_FAC = BASIS_FAC\n END IF\n \n END IF\n DESID_FAC( ISTR,ISRM )%BASIS = BASIS_FAC\n\n IF ( DESID_FAC( ISTR,ISRM )%OP( IFAC ) .NE. 2 ) \n & DESID_FAC( ISTR,ISRM )%FAC( IFAC ) = \n & DESID_FAC( ISTR,ISRM )%FAC( IFAC ) * BASIS_FAC\n & * LOCAL_CONV( ISTR, ISRM, IFAC )\n END DO\n\n END IF\n END DO\n\n END DO !End Rule Loop\n\n ! Reduce the size of the Region Remainder Mask\n DESID_REG_RMDR = DESID_REG_RMDR( 1:N_REG_RMDR )\n\n ! Warn the User if there are no emissions instructions provided \n IF ( DESID_N_ISTR .LE. 0 ) THEN\n XMSG = 'There are no emissions instructions: VDEMIS is set to zero' ! below\n CALL M3WARN ( PNAME, JDATE, JTIME, XMSG )\n END IF\n\n ! Print a message for each emissions stream variable that is not used.\n WRITE( LOGDEV, '(/,5x,A)' ) '|> Checking for unused Emissions Variables: '\n WRITE( LOGDEV, '(5x,A)' ),'============================================'\n\n LERROR = .FALSE.\n DO ISRM = 1,DESID_N_SRM\n N = DESID_EMVAR( ISRM )%LEN\n N_UNUSED = COUNT( .NOT. DESID_EMVAR( ISRM )%USED( : )\n & .AND. DESID_EMVAR(ISRM)%ARRY( 1:N ) .NE. 'NOT_AVAILABLE' )\n WRITE( LOGDEV, '(5x,4A,I2,A)' ), TRIM( DESID_STREAM_LAB( ISRM )),' | ',\n & TRIM(DESID_STREAM_DESC( ISRM )),': ', N_UNUSED,' unused variables.'\n IF ( N_UNUSED .GT. 0 ) THEN\n LERROR = .TRUE.\n\n DO IEMVAR = 1,DESID_EMVAR( ISRM )%LEN\n IF ( .NOT.DESID_EMVAR( ISRM )%USED( IEMVAR )\n & .AND.DESID_EMVAR( ISRM )%ARRY( IEMVAR ) .NE. 'NOT_AVAILABLE' ) \n & WRITE( LOGDEV, '(10x,A)'), DESID_EMVAR( ISRM )%ARRY( IEMVAR )\n END DO\n END IF\n WRITE( LOGDEV, '()' )\n END DO\n IF ( LERROR ) WRITE( LOGDEV, '(5x,A,/,5x,A,/,5x,A)' ),\n & 'NOTE: Some Emissions Variables are unused by your current', \n & 'emission control configuration. You may want to include these ',\n & 'emissions if they are relevant to your application.'\n\n ! Print a message for every used variable that is not recognized on \n ! the DESID_EMVAR_TABLE \n WRITE( LOGDEV, '(/,5x,A)' ) '|> Checking status of used Emissions Variables:'\n WRITE( LOGDEV, '(5x,A)' ),'================================================'\n\n DO ICATCH = 1,N_EMVAR_CATCH\n B = EMVAR_CATCH( ICATCH )\n N_USED = 0\n !L_CATCH = .FALSE.\n DO ISRM = 1,DESID_N_SRM\n N = DESID_EMVAR( ISRM )%LEN\n N_USED = N_USED + COUNT( DESID_EMVAR(ISRM)%ARRY( 1:N ) .EQ. B \n & .AND. DESID_EMVAR(ISRM)%USED( 1:N ) )\n\n END DO\n IF ( N_USED .GT. 0 )\n & WRITE( LOGDEV, '(/,5x,3A,/,5x,A,/,5x,3A,/,5x,A,/,5x,A,/,5x,A)') \n & 'WARNING: Emission Variable ',TRIM(B),' is being used but does not have a',\n & ' default entry in the DESID_EMVAR_TABLE in DESID_VARS.F. Currently,',\n & ' the molecular weight of ',TRIM(B),' is assumed to be 1.0',\n & ' g/mol for any emissions scaling operations requiring mass-mole',\n & ' conversions. If you are only prescribing UNIT scaling, then this',\n & ' assumption will not be problematic.'\n END DO \n\n! Resize Important Arrays\n MAP_ISTRtoDIFF = MAP_ISTRtoDIFF( 1:DESID_N_ISTR )\n MAP_ISTRtoNUM = MAP_ISTRtoNUM ( 1:DESID_N_ISTR )\n MAP_ISTRtoSRF = MAP_ISTRtoSRF ( 1:DESID_N_ISTR )\n MAP_ISTRtoAERO = MAP_ISTRtoAERO( 1:DESID_N_ISTR )\n\n\n! An Emissions Scaling Map Now Exists as a 2D Array (NSPECIES x NSTREAMS).\n! For every element, there is an associated emission variable and scale factor\n! to be applied. For the aerosols, the scale factor will be modified\n! later in order to split the mass into the appropriate modes.\n\n\n! Print out the Tables of CMAQ Emissions Instructions organized by each \n! emission stream and then by CMAQ internal species.\n\n WRITE( LOGDEV, '(/,/,5x,A)' ),'|> EMISSIONS SCALING REPORT:'\n WRITE( LOGDEV, '(5x,A)' ),'=================================='\n WRITE( LOGDEV,'(7x,A,/,13x,A)' ),'Note: these are populated using rules from the',\n & 'Emission Control File Supplied by the User.'\n DO ISRM = 1,DESID_N_SRM\n \n ! Print summary information about each Sector including\n ! the label and the available aerosol modes\n WRITE( LOGDEV, '(/,5x,A,A)' ),'>',REPEAT('-',80 )\n WRITE( LOGDEV,'(5x,A,A,A,A,A2,I2.2,A1)' ),\n & 'Stream Type: \"',TRIM(DESID_STREAM_DESC( ISRM )),\n & '\" | Sector Label: ',TRIM(DESID_STREAM_LAB( ISRM ) ),' (',ISRM,')'\n\n WRITE( LOGDEV, '(/8x,A)' ),'Table of Aerosol Size Distributions Available for Use Sector-Wide.'\n WRITE( LOGDEV, '(8x,A)' ),'Note that Mode 1 is reserved for gas-phase species and emission variable.'\n WRITE( LOGDEV, '(10x,A,2x,A,2x,A)' ), 'Number','Em. Var. Mode','Reference Mode (see AERO_DATA.F)'\n WRITE( LOGDEV, '(10x,A,2x,A,2x,A)' ), '------','--------------','--------------------------------'\n DO ISD = 2,DESID_STREAM_AERO( ISRM )%LEN\n IEM = DESID_STREAM_AERO( ISRM )%REF( ISD )\n REFNAME = ''\n IF ( IEM .GT. 0 ) THEN\n REFNAME = DESID_AERO_REF( IEM )%NAME\n END IF\n\n WRITE( LOGDEV,'(8x,I3,5x,A18,2x,A18,2x,A)' ),ISD, \n & DESID_STREAM_AERO( ISRM )%NAME( ISD )( 1:16 ), TRIM( REFNAME )\n END DO\n\n\n ! Finally Print Every Instruction for this Stream\n WRITE( LOGDEV, '(/,8x,A,5x,A,2x,A,9x,A,13x,A,2x,A,4x,A,2x,A)' ),\n & 'CMAQ Species','Phase/Mode','Em. Var. ','Region','Op','ScaleFac','Basis','FinalFac'\n WRITE( LOGDEV, '(8x,A,5x,A,2x,A,9x,A,13x,A,2x,A,4x,A,2x,A)' ),\n & '------------','----------','---------','------','--','--------','-----','--------'\n\n DO IDIFF = 1,N_SPC_DIFF\n L_WDIFF = .TRUE.\n DO ISD = 1,DESID_STREAM_AERO( ISRM )%LEN\n L_WISD = .TRUE.\n DO ISTR = 1,DESID_N_ISTR\n IF ( LOCAL_SPEC( ISTR ) .EQ. DIFF_SPC( IDIFF ) .AND.\n & MAP_ISTRtoSD( ISTR,ISRM ) .EQ. ISD ) THEN \n IF ( L_WDIFF ) THEN\n WRITE( LOGDEV, '(10x,A,1x,A,1x,A,1x,A,1x,A,2x,ES9.2,4x,A,2x,ES9.2)' ),\n & LOCAL_SPEC( ISTR ),\n & DESID_STREAM_AERO( ISRM )%NAME( ISD )(1:10),\n & LOCAL_EMVAR( ISTR, ISRM ),\n & DESID_REG( DESID_FAC( ISTR,ISRM )%REG( 1 ) )%LABEL(1:18),\n & LOCAL_OP( ISTR,ISRM,1 ), \n & DESID_FAC( ISTR, ISRM )%BULK( 1 ), LOCAL_BASIS( ISTR,ISRM,1 ),\n & DESID_FAC( ISTR,ISRM )%FAC( 1 ) \n & \n L_WDIFF = .FALSE.\n L_WISD = .FALSE.\n ELSE IF ( L_WISD ) THEN\n WRITE( LOGDEV, '(27x,A,1x,A,1x,A,1x,A,2x,ES9.2,4x,A,2x,ES9.2)' ),\n & DESID_STREAM_AERO( ISRM )%NAME( ISD )(1:10),\n & LOCAL_EMVAR( ISTR, ISRM ),\n & DESID_REG( DESID_FAC( ISTR,ISRM )%REG( 1 ) )%LABEL(1:18),\n & LOCAL_OP( ISTR,ISRM,1 ),\n & DESID_FAC( ISTR, ISRM )%BULK( 1 ), LOCAL_BASIS( ISTR,ISRM,1 ),\n & DESID_FAC( ISTR,ISRM )%FAC( 1 )\n L_WISD = .FALSE.\n ELSE\n WRITE( LOGDEV, '(38x,A,1x,A,1x,A,2x,ES9.2,4x,A,2x,ES9.2)' ),\n & LOCAL_EMVAR( ISTR, ISRM ),\n & DESID_REG( DESID_FAC( ISTR,ISRM )%REG( 1 ) )%LABEL(1:18),\n & LOCAL_OP( ISTR,ISRM,1 ), \n & DESID_FAC( ISTR, ISRM )%BULK( 1 ), LOCAL_BASIS( ISTR,ISRM,1 ),\n & DESID_FAC( ISTR,ISRM )%FAC( 1 ) \n END IF \n\n IF ( DESID_FAC( ISTR,ISRM )%NFAC .GT. 1 ) THEN\n DO IFAC = 2,DESID_FAC( ISTR,ISRM )%NFAC\n ! Compute Final Factor taking into account all rules that apply to the\n ! region associated with each factor.\n FAC = 0.0\n IRGN = DESID_FAC( ISTR,ISRM )%REG( IFAC )\n DO JFAC = 1,IFAC\n JRGN = DESID_FAC( ISTR,ISRM )%REG( JFAC )\n ! If region IRGN and JRGN are connected (i.e. one is a subregion of\n ! the other) then the final_fac should account for JFAC\n IF ( IRGN .EQ. JRGN .OR. DESID_REG_SUB( IRGN,JRGN ) \n & .OR. DESID_REG_SUB( JRGN,IRGN ) ) THEN\n \n ! Decide how to modify FAC to account for JFAC\n IF ( DESID_FAC( ISTR,ISRM )%OP(JFAC) .EQ. 1 ) THEN\n ! Add Factor (a)\n FAC = FAC + DESID_FAC( ISTR,ISRM )%FAC( JFAC )\n ELSE IF ( DESID_FAC( ISTR,ISRM )%OP(JFAC) .EQ. 2 ) THEN\n ! Multiply Factor (m)\n FAC = FAC * DESID_FAC( ISTR,ISRM )%FAC( JFAC )\n ELSE IF ( DESID_FAC( ISTR,ISRM )%OP(JFAC) .EQ. 3 ) THEN\n ! Overwrite Factor (o)\n FAC = DESID_FAC( ISTR,ISRM )%FAC( JFAC )\n END IF\n END IF\n END DO\n WRITE( LOGDEV, '(55x,A,1x,A,2x,ES9.2,4x,A,2x,ES9.2)' ),\n & DESID_REG( DESID_FAC( ISTR,ISRM )%REG( IFAC ) )%LABEL(1:18),\n & LOCAL_OP( ISTR,ISRM,IFAC ), DESID_FAC( ISTR, ISRM )%BULK( IFAC ), \n & LOCAL_BASIS( ISTR,ISRM,IFAC ), FAC\n END DO\n END IF\n\n END IF\n !END DO\n END DO\n END DO\n END DO\n END DO\n\n ! End Emissions Scaling Preparation and Diagnostic Output\n WRITE( LOGDEV, '(/,5x,A)' ), REPEAT( '=',80 )\n WRITE( LOGDEV, '(5x,A,/,/)' ),\n & '|> END EMISSIONS SCALING PREPARATION AND DIAGNOSTIC OUTPUT'\n\n END SUBROUTINE DESID_PROCESS_RULES\n\n!-----------------------------------------------------------------------\n SUBROUTINE DESID_INIT_STREAMS( JDATE, JTIME )\n\n! Initialize the counter for the total nbumber of emissions files. Also\n! allocate memory for the vectors storing the labels of emission files\n! and the maps from master ID number to the relative ID number for each\n! gridded and point stream file, i.e. Emissions File 10 is also known as\n! Point Source file 2.\n!\n#ifdef mpas\n use util_module, only : upcase\n#endif\n \n IMPLICIT NONE\n\n INTEGER, INTENT(IN) :: JDATE, JTIME\n \n INTEGER ISRM, N\n \n CHARACTER( 16 ) :: PNAME = 'DESID_INIT_STREAMS'\n CHARACTER( 32 ) :: VLAB\n INTEGER :: STATUS\n LOGICAL :: SUCCESS\n \n SUCCESS = .TRUE.\n \n CALL LOG_SUBHEADING( LOGDEV,'Initialize Emissions Input Files' )\n \n ! Calculate the total number of Emission Streams based on the\n ! user options\n ! Add the number of total Emission Streams \n DESID_N_SRM = N_FILE_GR + NPTGRPS + N_FILE_TR\n \n ! Online Biogenic Emissions\n IF ( BIOGEMIS_BEIS ) DESID_N_SRM = DESID_N_SRM + 1\n \n ! Online Biogenic Emissions from MEGAN\n IF ( BIOGEMIS_MEGAN ) DESID_N_SRM = DESID_N_SRM + 1\n \n ! Marine gas emissions; use online marine gas option only if CB6R5M is used\n IF ( USE_MARINE_GAS_EMISSION ) DESID_N_SRM = DESID_N_SRM + 1\n \n ! Lightning NO Emissions\n IF ( LTNG_NO ) DESID_N_SRM = DESID_N_SRM + 1\n \n ! Sea Spray Aerosol \n IF ( OCEAN_CHEM ) DESID_N_SRM = DESID_N_SRM + 1\n \n ! Determine if WindBlown Dust is Requested\n IF ( WB_DUST ) DESID_N_SRM = DESID_N_SRM + 1\n \n ! Turn Back Now if DESID_N_SRM Equals Zero (i.e. there are no emissions\n IF ( DESID_N_SRM .EQ. 0 ) RETURN\n \n ! Allocate Emission File Structure Variables\n Allocate( DESID_STREAM_NAME ( DESID_N_SRM ) )\n Allocate( DESID_STREAM_LAB ( DESID_N_SRM ) )\n Allocate( DESID_STREAM_TYPE ( DESID_N_SRM ) )\n Allocate( DESID_STREAM_ITYPE ( DESID_N_SRM ) )\n Allocate( DESID_STREAM_DESC ( DESID_N_SRM ) )\n Allocate( DESID_STREAM_LAPPLY( DESID_N_SRM ) )\n Allocate( DESID_STREAM_DATE ( DESID_N_SRM ) )\n Allocate( DESID_STREAM_SYM_DATE ( DESID_N_SRM ) ) \n Allocate( DESID_STREAM_FIRE ( DESID_N_SRM ) )\n Allocate( IGSRM ( DESID_N_SRM ) )\n Allocate( IPSRM ( DESID_N_SRM ) )\n Allocate( ITSRM ( DESID_N_SRM ) )\n Allocate( MAP_PTtoISRM ( NPTGRPS ) )\n Allocate( DESID_EMVAR ( DESID_N_SRM ) )\n Allocate( DESID_GRID_LAYS ( DESID_N_SRM ) )\n \nC Assign Attributes to Emission File Records. Other records will be \nC populated in individual subroutines. For example, opemis and\nC stkemis_init.\n \n CALL LOG_MESSAGE( LOGDEV, ' ' )\n CALL LOG_MESSAGE( LOGDEV, 'Retrieving Env. Variables for Gridded and Elevated Point Emission Inputs' )\n CALL LOG_MESSAGE( LOGDEV, ' ' )\n \n ISRM = 0\n DESID_STREAM_LAPPLY = .TRUE.\n DESID_STREAM_DATE = JDATE\n DESID_STREAM_SYM_DATE = EMIS_SYM_DATE ! representative day files (default: false)\n DESID_STREAM_FIRE = .FALSE.\n DESID_GRID_LAYS = 0\n \n ! Gridded Emission Files\n IF ( N_FILE_GR .GT. 0 ) THEN\n DESID_STREAM_TYPE( ISRM+1:ISRM+N_FILE_GR ) = 'GRID'\n DESID_STREAM_ITYPE( ISRM+1:ISRM+N_FILE_GR ) = 1\n DO N = 1, N_FILE_GR\n ISRM = ISRM + 1\n IGSRM( ISRM ) = N\n \n ! Create Description of this Emission File for output to\n ! diagnostics\n WRITE( DESID_STREAM_DESC( ISRM ), '(A,I3)' ),\n & 'Gridded Area Emissions File ', N\n \n ! Retrieve Short-Name Label for Each Gridded File\n WRITE( VLAB,'( \"GR_EMIS_LAB_\",I3.3 )' ) N\n CALL GET_ENV( DESID_STREAM_LAB( ISRM ), VLAB,\n & DESID_STREAM_LAB( ISRM ), LOGDEV )\n CALL UPCASE( DESID_STREAM_LAB( ISRM ) )\n \n ! Each Gridded File Name is stored already in IO-API as\n ! an object of the form GR_EMIS_XXX\n WRITE( DESID_STREAM_NAME( ISRM ),'( \"GR_EMIS_\",I3.3 )' ) N\n \n ! Retrieve Toggle for whether or not to apply these\n ! emissions \n WRITE( VLAB,'( \"GR_EMIS_APPLY_\",I3.3 )' ) N\n CALL GET_ENV( DESID_STREAM_LAPPLY( ISRM ), VLAB, \n & DESID_STREAM_LAPPLY( ISRM ), LOGDEV )\n \n ! Retrieve Toggle for overriding emissions file date with\n ! internal model date\n WRITE( VLAB,'( \"GR_EM_SYM_DATE_\",I3.3 )' ) N\n CALL GET_ENV( DESID_STREAM_SYM_DATE( ISRM ), VLAB, \n & EMIS_SYM_DATE, LOGDEV )\n \n END DO\n END IF\n \n ! In-Line Point Source Files\n IF ( NPTGRPS .GT. 0 ) THEN \n DESID_STREAM_TYPE( ISRM+1:ISRM+NPTGRPS ) = 'POINT'\n DESID_STREAM_ITYPE( ISRM+1:ISRM+NPTGRPS ) = 2\n DO N = 1, NPTGRPS\n ISRM = ISRM + 1\n IPSRM( ISRM ) = N\n MAP_PTtoISRM( N ) = ISRM\n \n ! Create Description of this Emission File for output to\n ! diagnostics\n WRITE( DESID_STREAM_DESC( ISRM ), '(A,I3)' ),\n & 'Point Emissions File ', IPSRM( ISRM )\n \n ! Retrieve Short-Name Label for Each Inline File\n WRITE( VLAB,'( \"STK_EMIS_LAB_\",I3.3 )' ) N\n CALL GET_ENV( DESID_STREAM_LAB( ISRM ), VLAB, \n & DESID_STREAM_LAB( ISRM ), LOGDEV )\n CALL UPCASE( DESID_STREAM_LAB( ISRM ) )\n \n ! Each Inline File Name is stored already in IO-API as\n ! an object of the form STK_EMIS_XXX\n WRITE( DESID_STREAM_NAME( ISRM ),'( \"STK_EMIS_\",I3.3 )' ) N\n \n ! Retrieve Toggle for whether or not to apply these\n ! emissions \n WRITE( VLAB,'( \"STK_EMIS_APPLY_\",I3.3 )' ) N\n CALL GET_ENV( DESID_STREAM_LAPPLY( ISRM ), VLAB, \n & DESID_STREAM_LAPPLY( ISRM ), LOGDEV )\n \n ! Retrieve Toggle for overriding emissions file date with\n ! internal model date\n WRITE( VLAB,'( \"STK_EM_SYM_DATE_\",I3.3 )' ) N\n CALL GET_ENV( DESID_STREAM_SYM_DATE( ISRM ), VLAB, \n & EMIS_SYM_DATE, LOGDEV )\n \n END DO\n END IF\n \n ! Tracer Emissions\n IF ( N_FILE_TR .GT. 0 ) THEN \n DESID_STREAM_TYPE( ISRM+1:ISRM+N_FILE_TR ) = 'TRAC'\n DESID_STREAM_ITYPE( ISRM+1:ISRM+N_FILE_TR ) = 3\n DO N = 1, N_FILE_TR\n ISRM = ISRM + 1\n ITSRM( ISRM ) = N\n \n ! Create Description of this Emission File for output to\n ! diagnostics\n WRITE( DESID_STREAM_DESC( ISRM ), '(A,I2)' ),\n & 'Gridded Tracer Emissions File ', N\n \n ! Retrieve Short-Name Label for Each Tracer File\n WRITE( VLAB,'( \"TR_EMIS_LAB_\",I2.2 )' ) N\n CALL GET_ENV( DESID_STREAM_LAB( ISRM ), VLAB,\n & DESID_STREAM_LAB( ISRM ), LOGDEV )\n CALL UPCASE( DESID_STREAM_LAB( ISRM ) )\n \n ! Each Tracer File Name is stored already in IO-API as\n ! an object of the form TR_EMIS_XXX\n WRITE( DESID_STREAM_NAME( ISRM ),'( \"TR_EMIS_\",I2.2 )' ) N\n \n END DO\n END IF\n \n ! Online Biogenic Emissions (BEIS)\n IF ( BIOGEMIS_BEIS ) THEN\n ISRM = ISRM + 1\n DESID_STREAM_TYPE( ISRM ) = 'BIOG'\n DESID_STREAM_ITYPE( ISRM ) = 4\n DESID_STREAM_LAB ( ISRM ) = 'BIOG'\n DESID_STREAM_DESC( ISRM ) = 'Biogenic Emissions'\n \n IBIOSRM = ISRM\n END IF\n \n ! Online Biogenic Emissions (MEGAN)\n IF ( BIOGEMIS_MEGAN ) THEN\n ISRM = ISRM + 1\n DESID_STREAM_TYPE( ISRM ) = 'MIOG'\n DESID_STREAM_ITYPE( ISRM ) = 9\n DESID_STREAM_LAB ( ISRM ) = 'MIOG'\n DESID_STREAM_DESC( ISRM ) = 'Megan Biogenic Emissions'\n \n IMIOGSRM = ISRM\n END IF\n \n \n ! Online Marine Gas Emissions\n IF ( USE_MARINE_GAS_EMISSION ) THEN\n ISRM = ISRM + 1\n DESID_STREAM_TYPE( ISRM ) = 'MGEM'\n DESID_STREAM_ITYPE( ISRM ) = 5\n DESID_STREAM_LAB ( ISRM ) = 'MGEM'\n DESID_STREAM_DESC( ISRM ) = 'Marine Gas Emissions'\n \n IMGSRM = ISRM\n END IF\n \n ! Online Lightning NO Emissions\n IF ( LTNG_NO ) THEN\n ISRM = ISRM + 1\n DESID_STREAM_TYPE( ISRM ) = 'LTNG'\n DESID_STREAM_ITYPE( ISRM ) = 6\n DESID_STREAM_LAB ( ISRM ) = 'LTNG'\n DESID_STREAM_DESC( ISRM ) = 'Lightning NO Emissions'\n \n ILTSRM = ISRM\n END IF\n \n ! Sea Spray Aerosol Emissions\n IF ( OCEAN_CHEM ) THEN\n ISRM = ISRM + 1\n DESID_STREAM_TYPE( ISRM ) = 'ASEA'\n DESID_STREAM_ITYPE( ISRM ) = 7\n DESID_STREAM_LAB ( ISRM ) = 'SEASPRAY'\n DESID_STREAM_DESC( ISRM ) = 'Sea Spray Aerosol Emissions'\n \n ISEASRM = ISRM\n END IF\n \n ! Wind-Blown Dust Emissions\n IF ( WB_DUST ) THEN\n ISRM = ISRM + 1\n DESID_STREAM_TYPE( ISRM ) = 'DUST'\n DESID_STREAM_ITYPE( ISRM ) = 8\n DESID_STREAM_LAB ( ISRM ) = 'WBDUST'\n DESID_STREAM_DESC( ISRM ) = 'Wind-Blown Dust Emissions'\n \n IDUSTSRM = ISRM\n END IF\n \n END SUBROUTINE DESID_INIT_STREAMS \n \n!-----------------------------------------------------------------------\n SUBROUTINE DESID_INIT_DIAG\n! This subroutine processes the user input in the Emission Control\n! file and determines how the emission rates are to be output for\n! diagnostics. Rates may be summed, specific species may be \n! selected or ignored, and rates may be summed into columns, among\n! other features.\n!-----------------------------------------------------------------------\n\n#ifdef mpas\n use util_module, only : index1, upcase\n#endif\n \n IMPLICIT NONE\n \n CHARACTER( 200 ) :: PREFIX = 'CCTM_DESID'\n CHARACTER( 200 ) :: SUFFIX = '.nc'\n CHARACTER( 200 ) :: XMSG\n INTEGER :: VALUE\n LOGICAL :: stream_vector( DESID_N_SRM )\n INTEGER :: N_Diag_Nml, N_Buff \n INTEGER :: IDIAG, NSTREAM, I, ISRM, J, JDIAG,\n & NSUM, NSPEC, LAYS, ISPEC, NPAIRS\n LOGICAL :: LREMOVE, LFOUND, EXPAND_STREAM\n LOGICAL :: STREAM_VECTOR_TMP( DESID_N_SRM ),\n & SPEC_VECTOR( N_SPC_DIFF )\n CHARACTER( 3) :: CDIAG\n LOGICAL :: LERROR\n \n N_Diag_Nml = SIZE( Desid_Diag_Fmt_Nml )\n N_Buff = N_Diag_Nml * 20\n\n ALLOCATE( DESID_DIAG_STREAM_MASK( DESID_N_SRM, N_Buff ) )\n ALLOCATE( DESID_DIAG_SPEC_BUFF ( N_Buff ) )\n ALLOCATE( DESID_DIAG_N_STREAM ( N_Buff ) )\n ALLOCATE( DESID_DIAG_FORMAT ( N_Buff ) )\n ALLOCATE( DESID_DIAG_FILENAME ( N_Buff ) )\n ALLOCATE( DESID_DIAG_LAB ( N_Buff ) )\n ALLOCATE( DESID_DIAG_SUM( N_Buff ) )\n ALLOCATE( DESID_DIAG_LAYS( N_Buff ) )\n \n CALL LOG_SUBHEADING( LOGDEV,'Initialize Emissions Diagnostic Files' )\n \n DESID_DIAG_STREAM_MASK = .FALSE.\n DESID_DIAG_FORMAT = 'OFF'\n DESID_DIAG_FILENAME = ''\n DESID_DIAG_N_STREAM = 0\n DESID_DIAG_LAB = ''\n DESID_DIAG_LAYS = NLAYS\n DESID_DIAG_SUM = 0\n \n ! Set the standard suffix for all Emissions Diagnostic Files\n IF ( APPL_NAME(1:8 ) .NE. 'CTM_APPL' ) SUFFIX = '_' // TRIM(APPL_NAME) // SUFFIX\n \n ! Find Number of Emissions Diagnostic Files Selected. \n DESID_N_DIAG = 0\n NSUM = 0\n DO IDIAG = 1,N_Diag_Nml\n ! Error Check Value for Emission Diagnostic Format\n CALL UPCASE( Desid_Diag_Fmt_Nml( IDIAG ) )\n IF ( Desid_Diag_Fmt_Nml( IDIAG ) .NE. 'OFF' .AND. \n & Desid_Diag_Fmt_Nml( IDIAG ) .NE. '3D' .AND.\n & Desid_Diag_Fmt_Nml( IDIAG ) .NE. 'COLSUM' .AND. \n & Desid_Diag_Fmt_Nml( IDIAG ) .NE. 'LAYER1' ) THEN\n WRITE( LOGDEV, * )\n WRITE( XMSG, '(A,I3,A,A)' ),\n & 'The format for Emission Diagnostic group ',IDIAG,\n & ' is not allowed. Please correct:',TRIM( Desid_Diag_Fmt_Nml(IDIAG))\n CALL M3EXIT( 'Map_Emiss_Diag', 0, 0, XMSG, XSTAT1 ) \n END IF\n \n ! Determine number of stream labels to expand\n NSTREAM = INDEX1( '', Desid_Max_Diag_Streams, Desid_Diag_Streams_Nml(IDIAG,:) ) - 1\n IF ( NSTREAM .LE. 0 ) THEN\n WRITE( LOGDEV, * )\n WRITE( XMSG, '(A,I3,A)' ),\n & 'No Emission Streams have been selected for group ',IDIAG,\n & ' of the emission diagnostic input. Please correct.'\n CALL M3EXIT( 'Map_Emiss_Diag', 0, 0, XMSG, XSTAT1 ) \n END IF\n \n ! Expand Desid_Diag_Streams_Nml to discover all matching streams\n STREAM_VECTOR = .FALSE.\n Expand_Stream = .FALSE.\n DO I = 1,NSTREAM\n IF ( Desid_Diag_Streams_Nml( IDIAG,I )(1:1) .EQ. '*' ) THEN\n Expand_Stream = .TRUE.\n Desid_Diag_Streams_Nml( IDIAG,I ) = \n & Desid_Diag_Streams_Nml( IDIAG,I )(2:32)//' '\n END IF\n IF ( Desid_Diag_Streams_Nml( IDIAG,I ) .EQ. 'ALL' ) THEN\n Expand_Stream = .TRUE.\n END IF\n CALL DESID_GET_RULE_STREAMS( Desid_Diag_Streams_Nml( IDIAG,I ),IDIAG,\n & STREAM_VECTOR, LREMOVE, LERROR )\n\n ! Stop CMAQ if there was an error setting the emission streams\n IF ( LERROR ) THEN\n WRITE( LOGDEV, * )\n WRITE( XMSG, '(A,A,A)' ),\n & 'CMAQ will crash until an error specifying the ',\n & 'DESID diagnostics is fixed. Detailed information is ',\n & 'in the processor log files.'\n CALL M3EXIT( 'Map_Emiss_Diag', 0, 0, XMSG, XSTAT1 ) \n END IF\n\n ! Determine whether this diagnostic is a sum or not and\n ! assign name accordingly\n IF ( Expand_Stream ) THEN\n ! Create a separate diagnostic file for every stream\n ! in stream_vector\n DO ISRM = 1,DESID_N_SRM\n IF ( STREAM_VECTOR( ISRM ) ) THEN\n ! Check for existing entries\n DESID_N_DIAG = DESID_N_DIAG + 1\n JDIAG = DESID_N_DIAG\n \n ! Save the number of\n ! streams selected for this diagnostic and a mask for\n ! mapping each stream to each diagnostic\n DESID_DIAG_N_STREAM( JDIAG ) = 1\n DESID_DIAG_STREAM_MASK( ISRM,JDIAG ) = .TRUE.\n DESID_DIAG_FORMAT( JDIAG ) = Desid_Diag_Fmt_Nml( IDIAG )\n IF ( DESID_DIAG_FORMAT( JDIAG ) .EQ. 'COLSUM' .OR.\n & DESID_DIAG_FORMAT( JDIAG ) .EQ. 'LAYER1' ) \n & DESID_DIAG_LAYS( JDIAG ) = 1\n \n DESID_DIAG_LAB( JDIAG ) = DESID_STREAM_LAB( ISRM )\n WRITE( CDIAG, '(I0)' ), IDIAG\n DESID_DIAG_FILENAME( JDIAG ) = TRIM( PREFIX ) // TRIM(CDIAG) //\n & '_' // TRIM( DESID_DIAG_LAB( JDIAG ) ) // TRIM( SUFFIX )\n DESID_DIAG_SUM( JDIAG ) = 0\n \n ! Build Species Selection Array\n SPEC_VECTOR = DESID_STREAM_DIFF( :,ISRM )\n CALL DESID_DIAG_MAP_SPEC( Desid_Diag_Spec_Nml( IDIAG,: ), IDIAG, \n & SPEC_VECTOR, JDIAG )\n \n END IF\n END DO\n ELSE\n ! Check for existing entries. \n DESID_N_DIAG = DESID_N_DIAG + 1\n JDIAG = DESID_N_DIAG\n NSUM = NSUM + 1\n DESID_DIAG_SUM( JDIAG ) = NSUM\n \n ! Save the number of\n ! streams selected for this diagnostic and a mask for\n ! mapping each stream to each diagnostic\n DESID_DIAG_N_STREAM( JDIAG ) = COUNT( STREAM_VECTOR )\n DESID_DIAG_STREAM_MASK( :,JDIAG ) = STREAM_VECTOR\n DESID_DIAG_FORMAT( JDIAG ) = Desid_Diag_Fmt_Nml( IDIAG )\n IF ( DESID_DIAG_FORMAT( JDIAG ) .EQ. 'COLSUM' .OR.\n & DESID_DIAG_FORMAT( JDIAG ) .EQ. 'LAYER1' ) \n & DESID_DIAG_LAYS( JDIAG ) = 1\n \n DESID_DIAG_LAB( JDIAG ) = Desid_Diag_Streams_Nml( IDIAG,I )\n WRITE( CDIAG, '(I0)' ), IDIAG\n DESID_DIAG_FILENAME( JDIAG ) = TRIM( PREFIX ) // TRIM(CDIAG) //\n & '_' // TRIM( DESID_DIAG_LAB( JDIAG ) ) // TRIM( SUFFIX )\n \n ! Build Species Selection Array\n SPEC_VECTOR = .FALSE.\n DO ISRM = 1,DESID_N_SRM\n IF ( STREAM_VECTOR( ISRM ) ) \n & SPEC_VECTOR = SPEC_VECTOR .OR. DESID_STREAM_DIFF( :,ISRM )\n END DO\n CALL DESID_DIAG_MAP_SPEC( Desid_Diag_Spec_Nml( IDIAG,: ), IDIAG, \n & SPEC_VECTOR, JDIAG )\n END IF\n \n END DO\n END DO\n \n ! Reduce size of each vector to length DESID_N_DIAG\n DESID_DIAG_N_STREAM = DESID_DIAG_N_STREAM( 1:DESID_N_DIAG )\n DESID_DIAG_STREAM_MASK = DESID_DIAG_STREAM_MASK( :,1:DESID_N_DIAG )\n DESID_DIAG_FORMAT = DESID_DIAG_FORMAT( 1:DESID_N_DIAG )\n DESID_DIAG_FILENAME = DESID_DIAG_FILENAME( 1:DESID_N_DIAG )\n DESID_DIAG_LAB = DESID_DIAG_LAB( 1:DESID_N_DIAG )\n DESID_DIAG_LAYS = DESID_DIAG_LAYS( 1:DESID_N_DIAG )\n DESID_DIAG_SUM = DESID_DIAG_SUM( 1:DESID_N_DIAG )\n \n ! Populate DESID_DIAG_SPEC from DESID_DIAG_SPEC_BUFF\n ALLOCATE( DESID_DIAG_SPEC( DESID_N_DIAG ) )\n DO IDIAG = 1,DESID_N_DIAG\n NSPEC = DESID_DIAG_SPEC_BUFF(IDIAG)%NSPEC\n NPAIRS = DESID_DIAG_SPEC_BUFF(IDIAG)%NPAIRS\n DESID_DIAG_SPEC(IDIAG)%NSPEC = NSPEC\n DESID_DIAG_SPEC(IDIAG)%NPAIRS = NPAIRS\n\n IF ( NSPEC .GT. 0 ) THEN\n ALLOCATE( DESID_DIAG_SPEC( IDIAG )%SPEC( NSPEC ) )\n ALLOCATE( DESID_DIAG_SPEC( IDIAG )%UNITS( NSPEC ) )\n ALLOCATE( DESID_DIAG_SPEC( IDIAG )%MAP_toDIFF( NPAIRS ) )\n ALLOCATE( DESID_DIAG_SPEC( IDIAG )%MAP_toDIAG( NPAIRS ) )\n \n DESID_DIAG_SPEC(IDIAG)%SPEC = DESID_DIAG_SPEC_BUFF( IDIAG )%SPEC \n DESID_DIAG_SPEC(IDIAG)%UNITS = DESID_DIAG_SPEC_BUFF( IDIAG )%UNITS \n DESID_DIAG_SPEC(IDIAG)%MAP_toDIFF = DESID_DIAG_SPEC_BUFF( IDIAG )%MAP_toDIFF\n DESID_DIAG_SPEC(IDIAG)%MAP_toDIAG = DESID_DIAG_SPEC_BUFF( IDIAG )%MAP_toDIAG\n END IF\n END DO\n DEALLOCATE ( DESID_DIAG_SPEC_BUFF )\n\n ! Write Details of Diagnostic Output to Log File\n WRITE( LOGDEV, * )\n WRITE( LOGDEV, '(/,/,5x,A)' ),'|> EMISSIONS DIAGNOSTIC REPORT:'\n WRITE( LOGDEV, '(5x,A)' ),'=================================='\n DO IDIAG = 1,DESID_N_DIAG\n WRITE( LOGDEV, * )\n WRITE( LOGDEV,'(5x,A19,2x,A)' ),'Diagnostic File: ',TRIM(DESID_DIAG_LAB( IDIAG ))\n WRITE( LOGDEV,'(10x,A)' ), 'Stream Members'\n DO I = 1,DESID_N_SRM\n IF ( DESID_DIAG_STREAM_MASK( I,IDIAG ) ) WRITE( LOGDEV,'(15x,A32)'),DESID_STREAM_LAB(I)\n END DO\n WRITE( LOGDEV,'(10x,A)' ), 'Diagnostic Species'\n DO I = 1,DESID_DIAG_SPEC( IDIAG )%NSPEC\n WRITE( LOGDEV,'(15x,A16)'),DESID_DIAG_SPEC( IDIAG )%SPEC( I )\n END DO\n END DO\n \n ! Create I/O Logicals and Populate with full Filepaths\n ALLOCATE( DESID_DIAG_LOGICAL( DESID_N_DIAG ) )\n DO IDIAG = 1,DESID_N_DIAG\n IF ( OUTDIR .NE. '' ) THEN\n DESID_DIAG_FILENAME(IDIAG) = TRIM( OUTDIR ) // '/' // DESID_DIAG_FILENAME(IDIAG)\n END IF\n WRITE( DESID_DIAG_LOGICAL( IDIAG ),'( \"DESID_\",I3.3 )' ) IDIAG\n#ifndef mpas\n VALUE = SETENVVAR( DESID_DIAG_LOGICAL( IDIAG ), DESID_DIAG_FILENAME( IDIAG ) )\n#endif\n END DO\n \n ! Allocate Minimal Necessary Space for VDEMIS_DIAG\n ALLOCATE( MAP_DIAGtoVDEMIS( N_SPC_DIFF,DESID_N_DIAG ) )\n MAP_DIAGtoVDEMIS = 0\n NSPEC = 0\n LAYS = 1\n \n DO IDIAG = 1,DESID_N_DIAG\n IF ( DESID_DIAG_SUM( IDIAG ) .GT. 0 ) THEN\n DO ISPEC = 1,DESID_DIAG_SPEC( IDIAG )%NSPEC\n NSPEC = NSPEC + 1\n MAP_DIAGtoVDEMIS( ISPEC,IDIAG ) = NSPEC\n END DO\n IF ( DESID_DIAG_FORMAT( IDIAG ) .EQ. '3D' ) LAYS = NLAYS\n ENDIF\n END DO\n ALLOCATE( VDEMIS_DIAG( NSPEC,NCOLS,NROWS,LAYS ) )\n \n END SUBROUTINE DESID_INIT_DIAG\n \nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE DESID_OPEN_GR3D ( JDATE, JTIME )\n \nC 7 Mar 02 - J.Young: add units string variations\nC 29 Oct 05 - J.Young: dyn. layers\nC 19 Feb 08 - David Wong: add DESID_TRAC = .TRUE. when EMIS_TRAC_1 exists\nC 21 Jun 10 - J.Young: convert for Namelist redesign\nC 16 Feb 11 - S.Roselle: replaced I/O API include files with UTILIO_DEFN;\nC removed deprecated TRIMLEN\n \n USE VGRD_DEFN ! vertical layer specifications\n USE CGRID_SPCS ! CGRID mechanism species\n USE UTILIO_DEFN\n USE AERO_DATA, only : AEROMODE, N_MODE, MGPG, GPKG\n USE VDIFF_MAP, only : N_SPC_DIFF, DIFF_SPC, DIFF_MASK_AERO\n#ifdef mpas\n use util_module, only : index1, upcase\n use mio_module\n#endif\n \n IMPLICIT NONE\n \n INCLUDE SUBST_FILES_ID ! file name parameters\n \nC Arguments:\n \n INTEGER JDATE ! current model date, coded YYYYDDD\n INTEGER JTIME ! current model time, coded HHMMSS\n INTEGER NLAY_FILE ! keep a running maximum of the layers from the gridded files\n \nC Local variables:\n \n CHARACTER( 16 ) :: PNAME = 'OPEMIS'\n CHARACTER(200 ) :: XMSG\n CHARACTER( 16 ) :: UNITSCK\n \n LOGICAL :: LAERO\n LOGICAL :: WRFLG = .FALSE.\n INTEGER STATUS, IOS\n INTEGER V, N, S, ISRM, ITRAC, IGR, IVAR, X \n\n integer :: floc, loc_nvars, loc_nlays, loc_date, loc_time\n character (16), allocatable :: loc_vnames(:), loc_units(:)\n logical :: file_exist\n\nC-----------------------------------------------------------------------\n \n CALL LOG_SUBHEADING( LOGDEV,'Open Gridded Emissions' )\n \n DESID_GRID_LAYS = 0\n \nC Open All Tracer Emission Files\n DO ISRM = 1,DESID_N_SRM\n IF ( DESID_STREAM_TYPE( ISRM ) .EQ. 'TRAC' ) THEN\n ITRAC = ITSRM( ISRM )\n#ifdef mpas\n floc = mio_search (DESID_STREAM_NAME( ISRM ))\n if (floc > 0) then\n file_exist = .true.\n loc_nvars = mio_file_data(floc)%nvars\n loc_nlays = mio_file_data(floc)%nlays\n allocate (loc_vnames(loc_nvars), loc_units(loc_nvars), stat=status)\n loc_vnames = mio_file_data(floc)%var_name\n loc_units = mio_file_data(floc)%units\n else\n file_exist = .false.\n end if\n#else \n IF ( .NOT. OPEN3( DESID_STREAM_NAME( ISRM ), FSREAD3, PNAME ) ) THEN\n XMSG = 'Could not open tracer file'\n CALL M3MESG( XMSG )\n file_exist = .false.\n ELSE\n file_exist = .true.\n ! Assign Tracer Emissions Species\n IF ( .NOT. DESC3( DESID_STREAM_NAME( ISRM ) ) ) THEN\n XMSG = 'Could not get '// DESID_STREAM_NAME( ISRM ) // ' file description'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n \n loc_nvars = nvars3d\n loc_nlays = nlays3d\n allocate (loc_vnames(loc_nvars), loc_units(loc_nvars), stat=status)\n loc_vnames = VNAME3d(1:loc_nvars)\n loc_units = UNITS3D(1:loc_nvars)\n END IF\n#endif \n\n IF (FILE_EXIST) THEN\n ! Save Tracer Variables for Use in Emissions Species Check\n ! Routine\n DESID_EMVAR( ISRM )%LEN = loc_nvars\n ALLOCATE ( DESID_EMVAR( ISRM )%ARRY( loc_nvars ), STAT = STATUS )\n ALLOCATE ( DESID_EMVAR( ISRM )%UNITS( loc_nvars ), STAT = STATUS )\n\n DESID_EMVAR( ISRM )%ARRY = loc_vnames\n \n ! Assign Layers to Common Vector\n DESID_GRID_LAYS( ISRM ) = loc_nlays\n \n ! Check Units For Consistency\n UNITSCK = 'BLANK'\n DO N = 1, loc_nvars\n V = INDEX1( loc_vnames( N ), N_SPC_DIFF, DIFF_SPC )\n IF ( V .NE. 0 ) THEN\n IF ( UNITSCK .EQ. 'BLANK' ) UNITSCK = loc_units( N )\n IF ( loc_units( N ) .NE. UNITSCK ) THEN\n XMSG = 'Units not uniform on ' // DESID_STREAM_LAB( ISRM )\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n END IF\n DESID_EMVAR( ISRM )%UNITS( N ) = loc_units( N )\n END DO \n END IF\n deallocate (loc_vnames, loc_units) \n END IF ! tracer emissions\n END DO\n \n \nC Open Gridded Emission Files (for gas chem, aerosols and non-reactive species)\n DO ISRM = 1,DESID_N_SRM\n IF ( DESID_STREAM_TYPE( ISRM ) .EQ. 'GRID' ) THEN\n IGR = IGSRM( ISRM )\n\n#ifdef mpas \n floc = mio_search (DESID_STREAM_NAME( ISRM ))\n call mio_timestamp_to_julian (mio_file_data(floc)%timestamp(1), loc_date, loc_time)\n loc_nvars = mio_file_data(floc)%nvars\n loc_nlays = mio_file_data(floc)%nlays\n allocate (loc_vnames(loc_nvars), loc_units(loc_nvars), stat=status)\n loc_vnames = mio_file_data(floc)%var_name\n loc_units = mio_file_data(floc)%units\n#else\n IF ( .NOT. OPEN3( DESID_STREAM_NAME( ISRM ), FSREAD3, PNAME ) ) THEN\n XMSG = 'Could not open file ' // DESID_STREAM_NAME( ISRM )\n CALL M3MESG( XMSG )\n ELSE\n \n IF ( .NOT. DESC3( DESID_STREAM_NAME( ISRM ) ) ) THEN\n XMSG = 'Could not get '// DESID_STREAM_NAME( ISRM ) // ' file description'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n END IF\n loc_nvars = NVARS3D\n loc_nlays = nlays3d\n allocate (loc_vnames(loc_nvars), loc_units(loc_nvars), stat=status)\n loc_vnames = VNAME3d(1:loc_nvars)\n loc_units = UNITS3D(1:loc_nvars)\n loc_date = sdate3d\n#endif\n \n ! Let the date for this emission stream come from the model\n ! by default or the file if the user wishes to override the\n ! default for representative day files\n DESID_STREAM_DATE( ISRM ) = JDATE\n IF ( DESID_STREAM_SYM_DATE( ISRM ) ) DESID_STREAM_DATE( ISRM ) = loc_date\n \n ! Save Area Source Species Names For Use in Emissions Species\n ! Check Routine\n DESID_EMVAR( ISRM )%LEN = loc_nvars\n ALLOCATE ( DESID_EMVAR( ISRM )%ARRY( loc_nvars ), STAT = STATUS )\n ALLOCATE ( DESID_EMVAR( ISRM )%UNITS( loc_nvars ), STAT = STATUS )\n DESID_EMVAR( ISRM )%ARRY = loc_vnames\n \n ! Assign Area Source Emission Species\n DESID_GRID_LAYS( ISRM ) = loc_nlays\n\n ! Assign Units\n DO IVAR = 1,loc_nvars\n ! A match has been found\n UNITSCK = loc_units( IVAR )\n CALL UPCASE( UNITSCK )\n DESID_EMVAR( ISRM )%UNITS( IVAR ) = loc_units( IVAR )\n END DO\n deallocate (loc_vnames, loc_units)\n END IF ! (gridded emission file)\n END DO\n \n RETURN\n END SUBROUTINE DESID_OPEN_GR3D\n \n \n!-----------------------------------------------------------------------\n SUBROUTINE DESID_OPEN_DIAG( JDATE, JTIME, TSTEP )\n! This subroutine opens diagnostic files for printing the\n! emission rates input to CMAQ after scaling by user emission\n! rules. The rates are put on files dedicated to each individual\n! emissions stream. This adds user flexibility in being able to\n! toggle the diagnostic output for streams individually and\n! reduces the storage space needed for most use cases (presumably\n! users will rarely want to output the data from all of the\n! emissions streams).\n!-----------------------------------------------------------------------\n USE UTILIO_DEFN\n USE GRID_CONF\n USE VDIFF_MAP, ONLY : N_SPC_DIFF, DIFF_SPC, DIFF_MASK_GAS, DIFF_MASK_NR,\n & DIFF_MASK_AERO, DIFF_MASK_NUM, DIFF_MASK_SRF\n \n IMPLICIT NONE\n \n INTEGER, INTENT( IN ) :: JDATE, JTIME, TSTEP\n \n CHARACTER( 16 ) :: PNAME = 'OPEN_EMISS_DIAG'\n CHARACTER( 200 ) :: XMSG\n \n INTEGER :: IDIAG, IVAR, NLAYERS, V, ISPEC\n \n#ifndef mpas\n DO IDIAG = 1,DESID_N_DIAG\n \n ! Test whether or not each file should be opened\n IF ( DESID_DIAG_FORMAT( IDIAG ) .NE. 'OFF' ) THEN\n \n ! Make File 2D by Default, but 3D if the user requests it\n NLAYERS = 1\n IF ( DESID_DIAG_FORMAT( IDIAG ) .EQ. '3D' ) NLAYERS = DESID_LAYS\n \n ! Set output file characteristics based on COORD.EXT and \n ! open diagnostic file\n FTYPE3D = GRDDED3\n SDATE3D = STDATE\n STIME3D = STTIME\n TSTEP3D = TSTEP\n \n NVARS3D = DESID_DIAG_SPEC( IDIAG )%NSPEC\n NCOLS3D = GL_NCOLS\n NROWS3D = GL_NROWS\n NLAYS3D = NLAYERS\n NTHIK3D = 1\n GDTYP3D = GDTYP_GD\n P_ALP3D = P_ALP_GD\n P_BET3D = P_BET_GD\n P_GAM3D = P_GAM_GD\n XORIG3D = XORIG_GD\n YORIG3D = YORIG_GD\n XCENT3D = XCENT_GD\n YCENT3D = YCENT_GD\n XCELL3D = XCELL_GD\n YCELL3D = YCELL_GD\n VGTYP3D = VGTYP_GD\n VGTOP3D = VGTOP_GD\n VGLVS3D( 1:NLAYS3D+1 ) = VGLVS_GD( 1:NLAYS3D+1 )\n GDNAM3D = GRID_NAME ! from HGRD_DEFN\n \n V = 0\n DO IVAR = 1,DESID_DIAG_SPEC( IDIAG )%NSPEC\n V = V + 1\n \n VTYPE3D( V ) = M3REAL\n VNAME3D( V ) = DESID_DIAG_SPEC( IDIAG )%SPEC( IVAR )\n UNITS3D( V ) = DESID_DIAG_SPEC( IDIAG )%UNITS( IVAR )\n VDESC3D( V ) = 'Emission Rate of ' // TRIM( VNAME3D( V ) )\n & // ' from ' // TRIM(DESID_DIAG_LAB( IDIAG )) // ' emissions'\n END DO\n \n FDESC3D( 1 ) = 'Instantaneous pollutant emissions from stream: ' // \n & TRIM(DESID_DIAG_LAB( IDIAG ) ) \n FDESC3D( 2:MXDESC3 ) = ''\n \n ! Open emissions stream diagnostic file\n IF ( .NOT. OPEN3( DESID_DIAG_LOGICAL( IDIAG ), FSNEW3, PNAME ) ) THEN\n XMSG = 'Could not create the ' // TRIM( DESID_DIAG_FILENAME( IDIAG ) ) // ' file'\n CALL M3EXIT( PNAME, SDATE3D, STIME3D, XMSG, XSTAT1 )\n END IF\n \n END IF ! DESID_STREAM_LDIAG?\n END DO ! IDIAG\n#else\n call mio_fcreate ('EMIS_DIAG',512 )\n#endif\n \n \n END SUBROUTINE DESID_OPEN_DIAG\n\n \nC-----------------------------------------------------------------------\n END MODULE DESID_MODULE\n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n" }, { "path": "CCTM/src/emis/emis/desid_param_module.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n!------------------------------------------------------------------------!\n! This module contains key component from EMIS_DEFN.F to facilitate \n! centralized I/O implementation by avoiding cyclic data dependence\n\n! Revision History:\n! 01 Feb 2019 D.Wong initial implementation, \n!------------------------------------------------------------------------!\n\n module desid_param_module\n\n INTEGER :: DESID_N_SRM ! number of DESID emissions streams\n INTEGER :: DESID_N_ISTR ! number of emissions instruction stacks\n INTEGER :: DESID_N_REG ! number of region masks\n INTEGER :: DESID_N_DIAG ! number of DESID Diagnostic files\n\n INTEGER, ALLOCATABLE :: DESID_GRID_LAYS(:) ! Number of Grid Layers \n ! for each stream\n INTEGER :: DESID_MAXLAYS = 0 ! Maximum Emission Layers\n\n ! Define Data Structure for Reading Emission Control Namelist Input\n TYPE DESID_RULES_TYPE\n CHARACTER( 32 ) :: REGION\n CHARACTER( 32 ) :: STREAM\n CHARACTER( 16 ) :: EMVAR\n CHARACTER( 16 ) :: SPEC\n CHARACTER( 16 ) :: PHASE\n REAL :: FAC\n CHARACTER( 4 ) :: BASIS\n CHARACTER( 1 ) :: OP\n END TYPE DESID_RULES_TYPE\n INTEGER :: DESID_MAX_RULES\n TYPE( DESID_RULES_TYPE ), ALLOCATABLE :: DESID_RULES_NML(:)\n\n ! Define Structure for Reading Area Normalization Namelist\n ! input\n TYPE DESID_AREA_TYPE\n CHARACTER( 32 ) :: STREAM\n CHARACTER( 32 ) :: AREA\n CHARACTER( 32 ) :: ADJ\n END TYPE DESID_AREA_TYPE\n TYPE( DESID_AREA_TYPE ), ALLOCATABLE :: DESID_AREA_NML(:)\n\n ! Define Structure for Reading Ragion Mask Input\n TYPE DESID_REG_NML_TYPE\n CHARACTER( 32 ) :: LABEL\n CHARACTER( 32 ) :: FILE\n CHARACTER( 32 ) :: VAR\n END TYPE DESID_REG_NML_TYPE\n TYPE( DESID_REG_NML_TYPE ), ALLOCATABLE :: DESID_REG_NML(:)\n INTEGER :: DESID_MAX_REG\n\n ! Define Structure for Storing Region Masks\n TYPE DESID_REG_TYPE\n CHARACTER( 32 ) :: LABEL\n CHARACTER( 32 ) :: FILE\n CHARACTER( 32 ) :: VAR\n INTEGER :: FILENUM\n END TYPE DESID_REG_TYPE\n\n TYPE( DESID_REG_TYPE ), ALLOCATABLE :: DESID_REG( : )\n REAL, ALLOCATABLE :: DESID_REG_FAC( :,:,: )\n LOGICAL, ALLOCATABLE :: DESID_REG_SUB( :,: )\n\n ! Define Structure for Reading Size Distribution Namelist\n ! Input\n TYPE DESID_SD_TYPE\n CHARACTER( 32 ) :: STREAM\n CHARACTER( 16 ) :: MODE\n CHARACTER( 16 ) :: MODE_REF\n END TYPE DESID_SD_TYPE\n TYPE( DESID_SD_TYPE ), ALLOCATABLE :: DESID_SD_NML(:)\n\n ! Define Variables for Storing Emissions Diagnostic\n ! Parameters\n Integer :: Desid_Max_Diag_Streams = 20\n Integer :: Desid_Max_Diag_Spec = 80\n Character( 32 ), Allocatable :: Desid_Diag_Streams_Nml(:,:)\n Character( 6 ), Allocatable :: Desid_Diag_Fmt_Nml(:) \n Character( 16 ), Allocatable :: Desid_Diag_Spec_Nml(:,:) \n\n end module desid_param_module\n" }, { "path": "CCTM/src/emis/emis/desid_util.F", "content": "!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n!:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n Module desid_util\n\n!-----------------------------------------------------------------------\n! Function: Define Emissions Utility Subroutines\n\n! Revision History:\n! 21 July 2020 B.Murphy: Extracted these variables from EMIS_DEFN\n!-----------------------------------------------------------------------\n Use desid_vars\n\n Contains\n\n!-----------------------------------------------------------------------\n SUBROUTINE DESID_GET_RULE_STREAMS( RULE_STREAM_NML0, IRULE, \n & RULE_STREAM, LREMOVE, LERROR )\n!\n! This subroutine analyzes the part of a rule identifying which streams\n! to affect and searches for the individual streams, or, if the rule uses\n! the 'ALL' keyword, this routine identifies every stream as impacted.\n!-----------------------------------------------------------------------\n\n USE UTILIO_DEFN\n USE desid_param_module\n USE UTIL_FAMILY_MODULE\n\n\n IMPLICIT NONE\n\n CHARACTER(32), INTENT( IN ) :: RULE_STREAM_NML0\n CHARACTER(32) :: RULE_STREAM_NML\n CHARACTER(32) :: STREAM_NAME( DESID_N_SRM )\n INTEGER, INTENT( IN ) :: IRULE\n LOGICAL, INTENT( INOUT ) :: RULE_STREAM( DESID_N_SRM )\n LOGICAL, INTENT( INOUT ) :: LREMOVE\n LOGICAL, INTENT( INOUT ) :: LERROR\n\n INTEGER ISRM, IDX, NSRM, IFAM\n CHARACTER( 200 ) :: XMSG\n CHARACTER( 16 ) :: PNAME = \"EMIS_SPC_MAP\"\n INTEGER :: JDATE = 0\n INTEGER :: JTIME = 0\n\n ! Initialize the output vector\n RULE_STREAM = .FALSE.\n \n ! First Capitalize the Rule so it is easier to error-check\n RULE_STREAM_NML = RULE_STREAM_NML0\n CALL UPCASE( RULE_STREAM_NML )\n\n LREMOVE = .FALSE.\n LERROR = .FALSE.\n\n IF ( RULE_STREAM_NML .EQ. 'ALL' .OR. RULE_STREAM_NML .EQ. 'TOTAL' ) THEN\n ! Special Case Where the Stream Identifier in the rule equals\n ! equals all 'ALL'. Expand the Rule to Apply to All Streams\n ISRM = 0\n IF ( N_FILE_GR .GT. 0 ) THEN\n RULE_STREAM( ISRM+1:N_FILE_GR ) = .TRUE.\n ISRM = ISRM + N_FILE_GR\n END IF\n\n IF ( NPTGRPS .GT. 0 ) THEN\n RULE_STREAM( ISRM+1:ISRM+NPTGRPS ) = .TRUE.\n ISRM = ISRM + NPTGRPS\n END IF\n IF ( N_FILE_TR .GT. 0 ) RULE_STREAM( ISRM+1:ISRM+N_FILE_TR ) = .TRUE.\n IF ( IBIOSRM .GT.0 ) RULE_STREAM( IBIOSRM ) = .TRUE.\n IF ( IMGSRM .GT.0 ) RULE_STREAM( IMGSRM ) = .TRUE.\n IF ( ILTSRM .GT.0 ) RULE_STREAM( ILTSRM ) = .TRUE.\n IF ( ISEASRM .GT.0 ) RULE_STREAM( ISEASRM ) = .TRUE.\n IF ( IDUSTSRM.GT.0 ) RULE_STREAM( IDUSTSRM ) = .TRUE.\n IF ( IMIOGSRM.GT.0 ) RULE_STREAM( IMIOGSRM ) = .TRUE.\n\n\n ELSE\n ! Determine if the Stream Label Refers to A Family and if So, \n ! Apply the Rule to all members of that Family\n IFAM = INDEX1( RULE_STREAM_NML, Desid_N_Stream_Fams, StreamFamilyName )\n IF ( IFAM .EQ. 0 ) THEN\n NSRM = 1\n STREAM_NAME(1) = RULE_STREAM_NML\n ELSE\n NSRM = StreamFamilyNum( IFAM )\n STREAM_NAME(1:NSRM) = StreamFamilyMembers( IFAM,1:NSRM )\n END IF\n\n ! Find the Specific Stream this Rule Identifies\n DO ISRM = 1,NSRM\n IDX = INDEX1( STREAM_NAME( ISRM ), DESID_N_SRM, DESID_STREAM_LAB ) \n IF ( IDX .NE. 0 ) THEN\n RULE_STREAM( IDX ) = .TRUE.\n ELSE \n ! Print warning that this stream is being ignored\n WRITE( LOGDEV, '(/,5x,3A,I3,/,5x,A,3(/,5x,A))' ),\n & 'Warning: The Emissions Stream Label (',TRIM( RULE_STREAM_NML ),\n & ') applied for Rule ',IRULE,\n & ' does not match any of the emissions stream labels or ',\n & 'members of stream families provided to CMAQ. Please check the ',\n & 'runscript against your emissions control inputs',\n & 'confirm that this stream should be ignored.'\n\n ! Confirm an Error\n LERROR = .TRUE.\n\n ! Remove this rule from the list of rules\n LREMOVE = .TRUE.\n END IF\n END DO\n END IF\n \n END SUBROUTINE DESID_GET_RULE_STREAMS\n\n!-----------------------------------------------------------------------\n SUBROUTINE DESID_DIAG_MAP_SPEC( Spec, IDIAG, SPEC_VECTOR, JDIAG ) \n!\n! This subroutine creates a map of emissions species taking into account \n! any references to chemical families or aerosol bulk names.\n!-----------------------------------------------------------------------\n\n USE UTILIO_DEFN\n USE desid_param_module\n USE UTIL_FAMILY_MODULE\n USE VDIFF_MAP, ONLY : DIFF_SPC, N_SPC_DIFF, DIFF_MASK_GAS, \n & DIFF_MASK_NUM, DIFF_MASK_SRF\n\n IMPLICIT NONE\n\n CHARACTER(16), INTENT( IN ) :: Spec( DESID_MAX_DIAG_SPEC )\n INTEGER, INTENT( IN ) :: IDIAG, JDIAG\n LOGICAL, INTENT( IN ) :: SPEC_VECTOR( N_SPC_DIFF )\n\n INTEGER ISRM, IDX, NSRM, IFAM, I, J\n INTEGER NSPEC_NML, NPAIRS, NSPEC\n LOGICAL EXPAND_SPEC\n CHARACTER(16) :: SPECIES\n CHARACTER( 200 ) :: XMSG\n CHARACTER( 16 ) :: PNAME = \"EMIS_SPC_MAP\"\n INTEGER :: JDATE = 0\n INTEGER :: JTIME = 0\n LOGICAL :: DIFF_VEC( N_SPC_DIFF )\n INTEGER :: MAP_toDIFF( DESID_MAX_DIAG_SPEC*50 ), \n & MAP_toDIAG( DESID_MAX_DIAG_SPEC*50 )\n CHARACTER(16) :: UNITS( DESID_MAX_DIAG_SPEC*50 ),\n & DIAGSPEC( DESID_MAX_DIAG_SPEC*50 )\n\n\n ! Determine number of diagnostic species to output\n NSPEC_NML = INDEX1( '', DESID_MAX_DIAG_SPEC, Spec ) - 1\n IF ( NSPEC_NML .LE. 0 ) THEN\n WRITE( LOGDEV, * )\n WRITE( XMSG, '(A,I3,A)' ),\n & 'No Emission Species have been selected for group ',IDIAG,\n & ' of the emission diagnostic input. Please correct.'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 ) \n END IF\n\n ! Now Error Check and Expand the CMAQ Species Field\n NPAIRS = 0\n NSPEC = 0\n \n DO I = 1,NSPEC_NML\n SPECIES = SPEC( I )\n Expand_Spec = .FALSE.\n IF ( SPECIES(1:1) .EQ. '*' ) THEN\n Expand_Spec = .TRUE.\n SPECIES(1:15) = SPECIES(2:16)\n END IF\n IF ( TRIM(SPECIES) .EQ. 'ALL' ) THEN\n Expand_Spec = .TRUE.\n END IF\n\n ! Retrieve logical vector, DIFF_VEC, indicating diffused species\n ! relevant for DiagSpec(I)\n CALL MAP_CHEM_FAMILIES( SPECIES, DIFF_SPC, N_SPC_DIFF, DIFF_VEC )\n DIFF_VEC = DIFF_VEC .AND. SPEC_VECTOR\n\n ! Save Map to translate each pair to diffused species and\n ! diagnostic species\n IF ( EXPAND_SPEC ) THEN \n ! Add a Diagnostic Species for every expanded species\n DO J = 1,N_SPC_DIFF\n IF ( DIFF_VEC( J ) ) THEN\n NSPEC = NSPEC + 1\n DIAGSPEC( NSPEC ) = DIFF_SPC( J )\n\n NPAIRS = NPAIRS + 1\n MAP_toDIFF( NPAIRS ) = J\n MAP_toDIAG( NPAIRS ) = NSPEC\n IF ( DIFF_MASK_GAS( J ) ) THEN\n ! GAS SPECIES\n UNITS( NSPEC ) = 'mol s-1'\n ELSE IF ( DIFF_MASK_NUM( J ) ) THEN\n ! AEROSOL NUMBER SPECIES\n UNITS( NSPEC ) = 'particles s-1'\n ELSE IF ( DIFF_MASK_SRF( J ) ) THEN\n ! AEROSOL SURFACE AREA SPECIES\n UNITS( NSPEC ) = 'm2 s-1'\n ELSE\n ! AEROSOL MASS SPECIES\n UNITS( NSPEC ) = 'g s-1'\n END IF\n END IF\n END DO\n ELSE\n ! Keep only 1 diagnostic species and map all of the diffused\n ! species to it\n IF ( ANY( DIFF_VEC ) ) THEN\n NSPEC = NSPEC + 1\n DIAGSPEC( NSPEC ) = SPECIES\n END IF\n DO J = 1,N_SPC_DIFF\n IF ( DIFF_VEC( J ) ) THEN\n NPAIRS = NPAIRS + 1\n MAP_toDIFF( NPAIRS ) = J\n MAP_toDIAG( NPAIRS ) = NSPEC\n IF ( DIFF_MASK_GAS( J ) ) THEN\n ! GAS SPECIES\n UNITS( NSPEC ) = 'mol s-1'\n ELSE IF ( DIFF_MASK_NUM( J ) ) THEN\n ! AEROSOL NUMBER SPECIES\n UNITS( NSPEC ) = 'particles s-1'\n ELSE IF ( DIFF_MASK_SRF( J ) ) THEN\n ! AEROSOL SURFACE AREA SPECIES\n UNITS( NSPEC ) = 'm2 s-1'\n ELSE\n ! AEROSOL MASS SPECIES\n UNITS( NSPEC ) = 'g s-1'\n END IF\n END IF\n END DO\n END IF\n END DO\n\n DESID_DIAG_SPEC_BUFF( JDIAG )%NSPEC = NSPEC\n DESID_DIAG_SPEC_BUFF( JDIAG )%NPAIRS = NPAIRS \n IF ( NSPEC .GT. 0 ) THEN\n IF ( ALLOCATED( DESID_DIAG_SPEC_BUFF( JDIAG )%SPEC ) )\n & DEALLOCATE( DESID_DIAG_SPEC_BUFF( JDIAG )%SPEC )\n IF ( ALLOCATED( DESID_DIAG_SPEC_BUFF( JDIAG )%UNITS ) )\n & DEALLOCATE( DESID_DIAG_SPEC_BUFF( JDIAG )%UNITS )\n IF ( ALLOCATED( DESID_DIAG_SPEC_BUFF( JDIAG )%MAP_toDIFF ) )\n & DEALLOCATE( DESID_DIAG_SPEC_BUFF( JDIAG )%MAP_toDIFF )\n IF ( ALLOCATED( DESID_DIAG_SPEC_BUFF( JDIAG )%MAP_toDIAG ) ) \n & DEALLOCATE( DESID_DIAG_SPEC_BUFF( JDIAG )%MAP_toDIAG )\n\n ALLOCATE( DESID_DIAG_SPEC_BUFF( JDIAG )%SPEC( NSPEC ) )\n ALLOCATE( DESID_DIAG_SPEC_BUFF( JDIAG )%UNITS( NSPEC ) )\n ALLOCATE( DESID_DIAG_SPEC_BUFF( JDIAG )%MAP_toDIFF( NPAIRS ) )\n ALLOCATE( DESID_DIAG_SPEC_BUFF( JDIAG )%MAP_toDIAG( NPAIRS ) )\n\n DESID_DIAG_SPEC_BUFF( JDIAG )%SPEC = DIAGSPEC( 1:NSPEC )\n DESID_DIAG_SPEC_BUFF( JDIAG )%UNITS = UNITS( 1:NSPEC )\n DESID_DIAG_SPEC_BUFF( JDIAG )%MAP_toDIFF = MAP_toDIFF( 1:NPAIRS )\n DESID_DIAG_SPEC_BUFF( JDIAG )%MAP_toDIAG = MAP_toDIAG( 1:NPAIRS )\n END IF\n\n END SUBROUTINE DESID_DIAG_MAP_SPEC\n \n!-----------------------------------------------------------------------\n SUBROUTINE DESID_GET_ONLINE_RULES( N_RULE )\n!\n! This subroutine defines several hardcoded rules for emissions\n! scaling that will apply by default. These include subtracting NH3\n! from fertilizer emissions if BiDi is turned on, moving all\n! sulfuric acid vapor to the particle phase upon emission and\n! splitting up the coarse mode anthropogenic emissions mass into\n! speciated compounds.\n!-----------------------------------------------------------------------\n\n USE AERO_DATA, ONLY : ACORSEM_ASO4_FAC\n\n IMPLICIT NONE\n \n INTEGER, INTENT( INOUT ) :: N_RULE\n TYPE( DESID_RULES_TYPE ) :: EM_NML( 20 )\n\n INTEGER :: N_RULE_B, IRULE, ISRM\n\n N_RULE_B = 0\n \n ! Add a rule For Removing Fertilizer Ammonia if BiDi is\n ! activated and the user has requested the correction\n IF ( ABFLUX ) THEN\n N_RULE_B = N_RULE_B + 1\n EM_NML(N_RULE_B)%SPEC = 'NH3'\n EM_NML(N_RULE_B)%STREAM= 'ALL'\n EM_NML(N_RULE_B)%PHASE = 'GAS'\n EM_NML(N_RULE_B)%EMVAR = 'NH3_FERT'\n EM_NML(N_RULE_B)%FAC = -1.0\n EM_NML(N_RULE_B)%BASIS = 'UNIT'\n EM_NML(N_RULE_B)%OP = 'a'\n EM_NML(N_RULE_B)%REGION= 'EVERYWHERE'\n END IF\n\n ! sulfur tracking instrument model option\n IF ( STM ) THEN\n ! SULF emissions\n N_RULE_B = N_RULE_B + 1\n EM_NML(N_RULE_B)%SPEC = 'ASO4EMIS'\n EM_NML(N_RULE_B)%STREAM= 'ALL'\n EM_NML(N_RULE_B)%PHASE = 'FINE'\n EM_NML(N_RULE_B)%EMVAR = 'SULF'\n EM_NML(N_RULE_B)%FAC = 1.0\n EM_NML(N_RULE_B)%BASIS = 'MASS'\n EM_NML(N_RULE_B)%OP = 'a' \n EM_NML(N_RULE_B)%REGION= 'EVERYWHERE'\n ! PSO4 emissions \n N_RULE_B = N_RULE_B + 1\n EM_NML(N_RULE_B)%SPEC = 'ASO4EMIS'\n EM_NML(N_RULE_B)%STREAM= 'ALL'\n EM_NML(N_RULE_B)%PHASE = 'FINE'\n EM_NML(N_RULE_B)%EMVAR = 'PSO4'\n EM_NML(N_RULE_B)%FAC = 1.0\n EM_NML(N_RULE_B)%BASIS = 'UNIT'\n EM_NML(N_RULE_B)%OP = 'a' \n EM_NML(N_RULE_B)%REGION= 'EVERYWHERE'\n ! Coarse-Mode Sulfate\n N_RULE_B = N_RULE_B + 1\n EM_NML(N_RULE_B)%SPEC = 'ASO4EMIS'\n EM_NML(N_RULE_B)%STREAM= 'ALL'\n EM_NML(N_RULE_B)%PHASE = 'COARSE'\n EM_NML(N_RULE_B)%EMVAR = 'PMC'\n EM_NML(N_RULE_B)%FAC = REAL( ACORSEM_ASO4_FAC, 4 ) \n EM_NML(N_RULE_B)%BASIS = 'UNIT'\n EM_NML(N_RULE_B)%OP = 'a' \n EM_NML(N_RULE_B)%REGION= 'EVERYWHERE'\n ! Wind blown dust and sea spray SO4 emissions \n ! Fine\n N_RULE_B = N_RULE_B + 1\n EM_NML(N_RULE_B)%SPEC = 'ASO4EMIS'\n EM_NML(N_RULE_B)%STREAM= 'ALL'\n EM_NML(N_RULE_B)%PHASE = 'FINE'\n EM_NML(N_RULE_B)%EMVAR = 'PMFINE_SO4'\n EM_NML(N_RULE_B)%FAC = 1.0\n EM_NML(N_RULE_B)%BASIS = 'UNIT'\n EM_NML(N_RULE_B)%OP = 'a' \n EM_NML(N_RULE_B)%REGION= 'EVERYWHERE'\n ! Coarse \n N_RULE_B = N_RULE_B + 1\n EM_NML(N_RULE_B)%SPEC = 'ASO4EMIS'\n EM_NML(N_RULE_B)%STREAM= 'ALL'\n EM_NML(N_RULE_B)%PHASE = 'COARSE'\n EM_NML(N_RULE_B)%EMVAR = 'PMCOARSE_SO4'\n EM_NML(N_RULE_B)%FAC = 1.0\n EM_NML(N_RULE_B)%BASIS = 'UNIT'\n EM_NML(N_RULE_B)%OP = 'a' \n EM_NML(N_RULE_B)%REGION= 'EVERYWHERE'\n END IF ! stm\n\n ! Add Rules to Existing List at Beginning\n N_RULE = N_RULE + N_RULE_B\n DO IRULE = N_RULE, N_RULE_B+1, -1\n DESID_RULES_NML( IRULE ) = DESID_RULES_NML( IRULE - N_RULE_B )\n END DO\n DO IRULE = 1,N_RULE_B\n DESID_RULES_NML( IRULE ) = EM_NML( IRULE ) \n END DO\n\n END SUBROUTINE DESID_GET_ONLINE_RULES\n\n!-----------------------------------------------------------------------\n SUBROUTINE CHECK_EMIS_UNITS( ISRM, ISUR, SPEC, UNITS, CONV, BASIS,\n & LAREA_UNIT )\n\n! This subroutine checks for invalid values of the operation parameter \n! in the rules from the emission control list\n\n use utilio_defn\n\n\n IMPLICIT NONE\n\n REAL, INTENT( OUT ) :: CONV\n CHARACTER( 16 ) , INTENT( OUT ) :: BASIS\n LOGICAL, INTENT( INOUT ) :: LAREA_UNIT\n CHARACTER( 16 ), INTENT( INOUT ) :: UNITS\n INTEGER, INTENT( IN ) :: ISRM\n INTEGER, INTENT( IN ) :: ISUR\n CHARACTER( 16 ), INTENT( IN ) :: SPEC\n CHARACTER( 400 ) :: XMSG\n INTEGER :: X, SLASH_IND\n \n CHARACTER( 16 ) :: NUMER\n CHARACTER( 16 ) :: DENOM\n CHARACTER( 16 ) :: DENOM1\n CHARACTER( 16 ) :: DENOM2\n LOGICAL :: LTIME_UNIT\n\n ! The Default Finding is an unknown Basis unit and conversion\n ! equal to 1.0\n CONV = 1.0\n LAREA_UNIT = .FALSE.\n LTIME_UNIT = .FALSE.\n BASIS = 'UNKNOWN'\n IF ( UNITS .EQ. '' ) RETURN\n \n ! Capitalize UNITS string and remove any leading spaces \n CALL UPCASE( UNITS ) \n DO WHILE ( UNITS(1:1) .EQ. ' ' ) \n UNITS = UNITS(2:16) // ' '\n END DO\n\n ! Find First Break between numerator and denominator. If it's not a\n ! slash, then it should be the first space. \n SLASH_IND = INDEX( UNITS, '/' )\n IF ( SLASH_IND .EQ. 0 ) SLASH_IND = INDEX( UNITS, ' ' )\n X = SLASH_IND - 1\n NUMER = UNITS(1:X)\n\n ! If there are no slashes or spaces, then exit\n IF ( SLASH_IND .EQ. 0 ) RETURN\n\n ! Check Numerator for Molar or Mass Units\n IF ( NUMER(1:4) .EQ. 'MOLE' .OR. NUMER(1:5) .EQ. 'MOLES' .OR.\n & NUMER(1:3) .EQ. 'MOL' ) THEN\n ! No Conversion Needed for Moles to Moles\n CONV = 1.0 \n BASIS = 'MOLE'\n ELSE IF ( NUMER(1:5) .EQ. 'KMOLE' .OR. NUMER(1:6) .EQ. 'KMOLES' .OR.\n & NUMER(1:4) .EQ. 'KMOL' ) THEN\n ! Convert kmol to mol\n CONV = 1000.0\n BASIS = 'MOLE'\n ELSE IF ( NUMER(1:5) .EQ. 'MMOLE' .OR. NUMER(1:6) .EQ. 'MMOLES' .OR.\n & NUMER(1:4) .EQ. 'MMOL' ) THEN\n ! Convert mmol to mol\n CONV = 1.0e-3\n BASIS = 'MOLE'\n ELSE IF ( NUMER(1:5) .EQ. 'UMOLE' .OR. NUMER(1:6) .EQ. 'UMOLES' .OR.\n & NUMER(1:4) .EQ. 'UMOL' ) THEN\n ! Convert umol to mol\n CONV = 1.0e-6\n BASIS = 'MOLE'\n ELSE IF ( NUMER(1:4) .EQ. 'GRAM' .OR. NUMER(1:5) .EQ. 'GRAMS' .OR.\n & NUMER(1:1) .EQ. 'G' .OR. NUMER(1:2) .EQ. 'GM' .OR.\n & NUMER(1:3) .EQ. 'GMS' .OR. NUMER(1:2) .EQ. 'GS' ) THEN\n ! No Conversion Needed for Grams to Grams\n CONV = 1.0\n BASIS = 'MASS'\n ELSE IF ( NUMER(1:5) .EQ. 'KGRAM' .OR. NUMER(1:6) .EQ. 'KGRAMS' .OR.\n & NUMER(1:2) .EQ. 'KG' .OR. NUMER(1:3) .EQ. 'KGM' .OR.\n & NUMER(1:4) .EQ. 'KGMS' .OR. NUMER(1:3) .EQ. 'KGS' ) THEN\n ! Convert kg -> g\n CONV = 1000.0\n BASIS = 'MASS'\n ELSE IF ( NUMER(1:5) .EQ. 'MGRAM' .OR. NUMER(1:6) .EQ. 'MGRAMS' .OR.\n & NUMER(1:2) .EQ. 'MG' .OR. NUMER(1:3) .EQ. 'MGM' .OR.\n & NUMER(1:4) .EQ. 'MGMS' .OR. NUMER(1:3) .EQ. 'MGS' ) THEN\n ! Convert mg -> g\n CONV = 1.0e-3\n BASIS = 'MASS'\n ELSE IF ( NUMER(1:5) .EQ. 'UGRAM' .OR. NUMER(1:6) .EQ. 'UGRAMS' .OR.\n & NUMER(1:2) .EQ. 'UG' .OR. NUMER(1:3) .EQ. 'UGM' .OR.\n & NUMER(1:3) .EQ. 'UGMS' .OR. NUMER(1:3) .EQ. 'UGS' ) THEN\n ! Convert ug -> g\n CONV = 1.0e-6\n BASIS = 'MASS'\n ELSE IF ( NUMER(1:5) .EQ. 'NGRAM' .OR. NUMER(1:6) .EQ. 'NGRAMS' .OR.\n & NUMER(1:2) .EQ. 'NG' .OR. NUMER(1:3) .EQ. 'NGM' .OR.\n & NUMER(1:4) .EQ. 'NGMS' .OR. NUMER(1:3) .EQ. 'NGS' ) THEN\n ! Convert ng -> g\n CONV = 1.0e-9\n BASIS = 'MASS'\n ELSE\n WRITE( XMSG,'(A,A16,A,I3,A11,A16,A,A,A)' ),\n & 'ERROR: Species ',TRIM(SPEC),' on emission stream ',\n & ISRM, ' has units ',TRIM(UNITS),' which are not recognized ',\n & 'as an emission rate. If you wish to use this variable for ',\n & 'emissions, please correct the units (e.g. g/s or moles/s).'\n CALL M3WARN( 'CHECK_EMIS_UNITS', 0, 0, XMSG )\n ! No Conversion and and Unknown Basis\n CONV = 1.0e0\n BASIS = 'UNKNOWN'\n END IF\n \n ! Identify Denominator. Return from subroutine if the\n ! denominator is empty.\n DENOM = UNITS(X+2:)\n IF ( DENOM .EQ. '' ) THEN\n WRITE( XMSG,'(A,A16,A,I3,A11,A16,A,A,A,A)' ),\n & 'ERROR: Species ',TRIM(SPEC),' on emission stream ',\n & ISRM, ' has units ',TRIM(UNITS),' which are not recognized ',\n & 'as an emission rate. If you wish to use this variable for ',\n & 'emissions, please correct the units (e.g. g/s, moles/s, ',\n & 'g/m2/s, or g/s/m2, etc.).'\n CALL M3WARN( 'CHECK_EMIS_UNITS', 0, 0, XMSG )\n ! No Conversion and and Unknown Basis\n CONV = CONV * 1.0e0\n BASIS = 'UNKNOWN' \n RETURN\n END IF\n\n ! Remove Leading Spaces, if any\n DO WHILE ( DENOM(1:1) .EQ. ' ' ) \n DENOM = DENOM(2:16) // ' '\n END DO\n\n ! Now split the Denominator into two parts, before and after\n ! the slash or space. There will be at least one space because the\n ! numerator has been cut from the units string, thus leaving at\n ! least one empty space.\n SLASH_IND = INDEX( DENOM, '/' )\n IF ( SLASH_IND .EQ. 0 ) SLASH_IND = INDEX( DENOM, ' ' )\n X = SLASH_IND - 1 \n DENOM1 = DENOM(1:X)\n DENOM2 = DENOM(X+2:)\n \n ! Parse the first Denominator and return attributes\n CALL CHECK_UNIT_DENOMINATOR( DENOM1, LAREA_UNIT, LTIME_UNIT, \n & BASIS, CONV )\n IF ( BASIS .EQ. 'UNKNOWN' ) THEN\n WRITE( XMSG,'(A,A16,A,I3,A11,A16,A,A,A,A)' ),\n & 'ERROR: Species ',TRIM(SPEC),' on emission stream ',\n & ISRM, ' has units ',TRIM(UNITS),' which are not recognized ',\n & 'as an emission rate. If you wish to use this variable for ',\n & 'emissions, please correct the units (e.g. g/s, moles/s, ',\n & 'g/m2/s, or g/s/m2, etc.).'\n CALL M3WARN( 'CHECK_EMIS_UNITS', 0, 0, XMSG )\n RETURN\n END IF\n\n ! Parse the second Denominator and return attributes\n IF ( DENOM2 .NE. '' ) THEN\n CALL CHECK_UNIT_DENOMINATOR( DENOM2, LAREA_UNIT, LTIME_UNIT, \n & BASIS, CONV )\n IF ( BASIS .EQ. 'UNKNOWN' ) THEN\n WRITE( XMSG,'(A,A16,A,I3,A11,A16,A,A,A,A)' ),\n & 'ERROR: Species ',TRIM(SPEC),' on emission stream ',\n & ISRM, ' has units ',TRIM(UNITS),' which are not recognized ',\n & 'as an emission rate. If you wish to use this variable for ',\n & 'emissions, please correct the units (e.g. g/s, moles/s, ',\n & 'g/m2/s, or g/s/m2, etc.).'\n CALL M3WARN( 'CHECK_EMIS_UNITS', 0, 0, XMSG )\n RETURN\n END IF\n END IF\n\n ! Check to make sure the time component has been defined \n IF ( .NOT. LTIME_UNIT ) THEN\n WRITE( XMSG,'(A,A16,A,I3,A11,A16,A,A,A,A)' ),\n & 'ERROR: Species ',TRIM(SPEC),' on emission stream ',\n & ISRM, ' has units ',TRIM(UNITS),' which are not recognized ',\n & 'as an emission rate. If you wish to use this variable for ',\n & 'emissions, please correct the units (e.g. g/s, moles/s, ',\n & 'g/m2/s, or g/s/m2, etc.).'\n CALL M3WARN( 'CHECK_EMIS_UNITS', 0, 0, XMSG )\n BASIS = 'UNKNOWN'\n RETURN\n END IF \n\n END SUBROUTINE CHECK_EMIS_UNITS\n \n!-----------------------------------------------------------------------\n SUBROUTINE CHECK_UNIT_DENOMINATOR( DENOM, LAREA, LTIME, BASIS, CONV)\n\n! This subroutine compares the denominator from the units string of an\n! emission variables to potential time and area units and determines how\n! to convert the emissions online in DESID.\n!-----------------------------------------------------------------------\n\n IMPLICIT NONE\n\n CHARACTER(16), INTENT( IN ) :: DENOM\n LOGICAL, INTENT( OUT ) :: LAREA\n LOGICAL, INTENT( OUT ) :: LTIME\n CHARACTER(16), INTENT( INOUT ):: BASIS\n REAL, INTENT( INOUT) :: CONV\n\n ! Check 1st Denominator for Time Units\n IF ( DENOM .EQ. 'S' .OR. DENOM .EQ. 'S-1' .OR.\n & DENOM .EQ. 'SEC'.OR.DENOM .EQ. 'SEC-1' .OR.\n & DENOM .EQ. 'SECOND'.OR.DENOM .EQ. 'SECOND-1' .OR.\n & DENOM .EQ. 'SECONDS'.OR.DENOM .EQ. 'SECONDS-1' ) THEN\n ! No Conversion Necessary for seconds -> seconds\n CONV = CONV * 1.0\n LTIME = .TRUE.\n ELSE IF ( DENOM .EQ. 'H' .OR. DENOM .EQ. 'H-1' .OR.\n & DENOM .EQ. 'HR'.OR.DENOM .EQ. 'HR-1' .OR.\n & DENOM .EQ. 'HRS'.OR.DENOM .EQ. 'HRS-1' .OR.\n & DENOM .EQ. 'HOUR'.OR.DENOM .EQ. 'HOUR-1' .OR.\n & DENOM .EQ. 'HOURS'.OR.DENOM .EQ. 'HOURS-1' ) THEN\n ! Convert hours -> seconds\n CONV = CONV * 3600.0\n LTIME = .TRUE.\n ELSE IF ( DENOM .EQ. 'M' .OR. DENOM .EQ. 'M-1' .OR.\n & DENOM .EQ. 'MIN'.OR.DENOM .EQ. 'MIN-1' .OR.\n & DENOM .EQ. 'MINUTE'.OR.DENOM .EQ. 'MINUTE-1' .OR.\n & DENOM .EQ. 'MINUTES'.OR.DENOM .EQ. 'MINUTES-1' ) THEN\n ! Convert minutes -> seconds\n CONV = CONV * 60.0\n LTIME = .TRUE.\n ELSE IF ( DENOM .EQ. 'M2' .OR. DENOM .EQ. 'M-2' .OR.\n & DENOM .EQ. 'M^2'.OR.DENOM .EQ. 'METER-2' .OR.\n & DENOM .EQ. 'METER^2'.OR.DENOM .EQ. 'METER^-2' .OR.\n & DENOM .EQ. 'METER2'.OR.DENOM .EQ. 'METER-2' .OR.\n & DENOM .EQ. 'METERS^2'.OR.DENOM .EQ. 'METERS^-2' .OR.\n & DENOM .EQ. 'METERS2'.OR.DENOM .EQ. 'METERS-2' ) THEN\n ! No conversion necessary for meters^2 -> meters^2\n CONV = CONV * 1.0\n LAREA = .TRUE. \n ELSE IF ( DENOM .EQ. 'KM2' .OR. DENOM .EQ. 'KM-2' .OR.\n & DENOM .EQ. 'KM^2'.OR.DENOM .EQ. 'KM^-2' .OR.\n & DENOM .EQ. 'KILOMETER2'.OR.DENOM .EQ. 'KILOMETER-2' .OR.\n & DENOM .EQ. 'KILOMETER^2'.OR.DENOM .EQ. 'KILOMETER^-2' .OR.\n & DENOM .EQ. 'KILOMETERS2'.OR.DENOM .EQ. 'KILOMETERS-2' .OR.\n & DENOM .EQ. 'KILOMETERS^2'.OR.DENOM .EQ. 'KILOMETERS-2' ) THEN\n ! Convert kilometers^2 -> meters^2\n CONV = CONV * 1.0E6\n LAREA = .TRUE. \n ELSE IF ( DENOM .EQ. 'MI2' .OR. DENOM .EQ. 'MI-2' .OR.\n & DENOM .EQ. 'MI^2'.OR.DENOM .EQ. 'MI^-2' .OR.\n & DENOM .EQ. 'MILE2'.OR.DENOM .EQ. 'MILE-2' .OR.\n & DENOM .EQ. 'MILE^2'.OR.DENOM .EQ. 'MILE^-2' .OR.\n & DENOM .EQ. 'MILES2'.OR.DENOM .EQ. 'MILES-2' .OR.\n & DENOM .EQ. 'MILES^2'.OR.DENOM .EQ. 'MILES-2' ) THEN\n ! Convert mile^2 -> meters^2\n CONV = CONV * 2.59E6\n LAREA = .TRUE. \n ELSE IF ( DENOM .EQ. 'HA' .OR. DENOM .EQ. 'HA-1' .OR.\n & DENOM .EQ. 'HA^1'.OR.DENOM .EQ. 'HA^-1' .OR.\n & DENOM .EQ. 'HECTARE'.OR.DENOM .EQ. 'HECTARE-1' .OR.\n & DENOM .EQ. 'HECTARE^1'.OR.DENOM .EQ. 'HECTARE^-1' .OR.\n & DENOM .EQ. 'HECTARES'.OR.DENOM .EQ. 'HECTARES-1' .OR.\n & DENOM .EQ. 'HECTARES^1'.OR.DENOM .EQ. 'HECTARES^-1' ) THEN\n ! Convert hectares -> meters^2\n CONV = CONV * 10000.0\n LAREA = .TRUE. \n ELSE\n ! No Conversion and and Unknown Basis\n CONV = CONV * 1.0e0\n BASIS = 'UNKNOWN'\n END IF\n\n END SUBROUTINE CHECK_UNIT_DENOMINATOR\n \n!-----------------------------------------------------------------------\n SUBROUTINE CHECK_OP( OP, IRULE )\n\n! This subroutine checks for invalid values of the operation parameter \n! in the rules from the emission control list\n\n use utilio_defn\n\n IMPLICIT NONE\n\n CHARACTER( 1 ) :: OP\n INTEGER, INTENT( IN ) :: IRULE\n CHARACTER( 200 ) :: XMSG\n\n IF ( OP .EQ. 'A' .OR. OP .EQ. 'a' ) THEN\n OP = 'a'\n ELSE IF ( OP .EQ. 'M' .OR. OP .EQ. 'm' ) THEN\n OP = 'm'\n ELSE IF ( OP .EQ. 'O' .OR. OP .EQ. 'o' ) THEN\n OP = 'o'\n ELSE\n WRITE( XMSG,'(A,I3,A,A1)' ),\n & 'ERROR: OP parameter for rule ',IRULE,\n & ' has invalid value: ',OP\n CALL M3EXIT( 'CHECK_OP (EMIS_DEFN)', 0, 0, XMSG, 2 )\n END IF\n\n END SUBROUTINE CHECK_OP\n \n!-----------------------------------------------------------------------\n SUBROUTINE CHECK_BASIS( BASIS, IRULE )\n\n! This subroutine checks for invalid values of the operation parameter \n! in the rules from the emission control list\n\n use utilio_defn\n\n IMPLICIT NONE\n\n CHARACTER( 4 ) :: BASIS\n INTEGER, INTENT( IN ) :: IRULE\n CHARACTER( 200 ) :: XMSG\n\n IF ( BASIS .EQ. 'mole' .OR. BASIS .EQ. 'MOLE' .OR.\n & BASIS .EQ. 'Mole' ) THEN\n BASIS = 'MOLE'\n ELSE IF ( BASIS .EQ. 'mass' .OR. BASIS .EQ. 'MASS' .OR.\n & BASIS .EQ. 'Mass' ) THEN\n BASIS = 'MASS'\n ELSE IF ( BASIS .EQ. 'unit' .OR. BASIS .EQ. 'UNIT' .OR.\n & BASIS .EQ. 'Unit' ) THEN\n BASIS = 'UNIT'\n ELSE\n WRITE( XMSG,'(A,I3,A,A4)' ),\n & 'ERROR: BASIS parameter for rule ',IRULE,\n & ' has invalid value: ',BASIS\n CALL M3EXIT( 'CHECK_BASIS (EMIS_DEFN)', 0, 0, XMSG, 2 )\n END IF\n\n END SUBROUTINE CHECK_BASIS\n \n!-----------------------------------------------------------------------\n FUNCTION RESOLVE_YN_TF_2D3D( ARG ) RESULT( ARGOUT )\n\n!-----------------------------------------------------------------------\n IMPLICIT NONE\n\n CHARACTER( 6 ) :: ARG, ARGOUT\n \n IF ( ARG .EQ. 'FALSE' .OR. ARG .EQ. 'F' .OR.\n & ARG .EQ. 'NO' .OR. ARG .EQ. 'N' ) THEN\n ARGOUT = 'FALSE'\n ELSEIF ( ARG .EQ. 'TRUE' .OR. ARG .EQ. 'T' .OR.\n & ARG .EQ. 'YES' .OR. ARG .EQ. 'Y' ) THEN\n ARGOUT = 'TRUE'\n ELSEIF ( ARG .EQ. '2D' .OR. ARG .EQ. '2d' ) THEN\n ARGOUT = 'TRUE'\n ELSEIF ( ARG .EQ. '3D' .OR. ARG .EQ. '3d' ) THEN\n ARGOUT = '3D'\n ELSEIF ( ARG .EQ. '2DSUM' .OR. ARG .EQ. '2dSUM' .OR.\n & ARG .EQ. '2dsum' ) THEN\n ARGOUT = '2DSUM'\n END IF\n \n RETURN\n\n END FUNCTION RESOLVE_YN_TF_2D3D\n\n \n END MODULE DESID_UTIL\n" }, { "path": "CCTM/src/emis/emis/desid_vars.F", "content": "!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n!:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n module desid_vars\n\n!-----------------------------------------------------------------------\n! Function: Define global variables used for emissions processor\n\n! Revision History:\n! 09 Nov 2017 B.Murphy: Extracted these variables from EMIS_DEFN\n!-----------------------------------------------------------------------\n use runtime_vars\n use desid_param_module\n\n IMPLICIT NONE\n\n SAVE\n REAL, ALLOCATABLE :: CELLAREA( :,: )\n REAL, ALLOCATABLE :: CELLHGT ( :,:,: )\n REAL, ALLOCATABLE :: CELLVOL ( :,:,: )\n REAL :: DX1, DX2\n REAL, ALLOCATABLE :: VDEMIS_DIFF( :,:,:,: ) ! emissions array mapped to diffused species\n\n INTEGER :: DESID_LAYS\n\n CHARACTER( 16 ), ALLOCATABLE :: LOCAL_SPEC( : ) ! Vector of Internal CMAQ Species names for each \n ! emission rule\n CHARACTER( 16 ), ALLOCATABLE :: LOCAL_EMVAR( :,: )! Emissions Variable to be read ( species, stream )\n\n TYPE DESID_EMVAR_TYPE\n INTEGER :: LEN ! Length of Sub-Vector\n CHARACTER( 16 ), ALLOCATABLE :: ARRY( : ) ! Emission Variable Name\n CHARACTER( 16 ), ALLOCATABLE :: UNITS( : ) ! Units determined from input files\n REAL, ALLOCATABLE :: MW( : ) ! Default MW from SPECIATE/SMOKE/MOVE\n LOGICAL, ALLOCATABLE :: USED( : ) ! Whether or not the variable is used in CMAQ\n Real, ALLOCATABLE :: CONV( : ) ! Conversion factor to account for kg -> g or hr -> s\n CHARACTER( 16 ), ALLOCATABLE :: BASIS( : ) ! 'MOLE', 'MASS', or 'UNKNOWN' \n LOGICAL, ALLOCATABLE :: LAREA( : ) ! Whether or not the variable is an area flux\n LOGICAL, ALLOCATABLE :: LAREAADJ( : )! Whether or not the emissions should be adjusted \n ! by the map scale factor\n END TYPE DESID_EMVAR_TYPE\n TYPE( DESID_EMVAR_TYPE ),ALLOCATABLE :: DESID_EMVAR( : )! Species to be read from each stream file\n\n TYPE DESID_FAC_TYPE\n INTEGER :: NFAC ! Number of scaling instructions that apply to this element of \n ! the EM_FAC_ST structure. The other attributes will be of \n ! length LEN.\n INTEGER :: NREG ! Number of unique regions for each instruction stack\n REAL, ALLOCATABLE :: FAC(:) ! Scale Factor applied with potential aerosol splitting\n REAL, ALLOCATABLE :: BULK(:) ! Scale Factor for bulk emission without\n ! splitting for aerosols\n REAL, ALLOCATABLE :: BASIS(:)! Conversion factor to account for mole or mass basis\n LOGICAL, ALLOCATABLE :: AREA(:) ! True if the emission is a flux that needs to be multiplied \n ! by the grid cell area\n LOGICAL, ALLOCATABLE :: AREAADJ(:) ! True if the emissions need to be adjusted by the map scale\n ! factor to convert from real space to projected space\n INTEGER, ALLOCATABLE :: REG(:) ! Index Mapping this entry to a particlar region in EM_REGIONS\n INTEGER, ALLOCATABLE :: REG_UNQ(:) ! Record of Unique Regions for each instruction stack\n INTEGER, ALLOCATABLE :: REG_RMDR(:) ! Map to remainder map\n INTEGER, ALLOCATABLE :: OP(:) ! Operation to perform for this scaling\n ! (addition,'a' = 1, \n ! multiplication,'m' = 2, \n ! overwrite,'o' = 3)\n END TYPE DESID_FAC_TYPE\n TYPE( DESID_FAC_TYPE ), ALLOCATABLE :: DESID_FAC ( :,: ) ! Emissions Scale Factors ( species, stream )\n CHARACTER( 1 ) :: DESID_OP_NAME( 3 ) = (/'a','m','o'/)\n \n ! Define Region Remainder Mask Structure\n TYPE DESID_REG_RMDR_TYPE\n INTEGER :: REG ! large region with variable number of subset regions\n LOGICAL, ALLOCATABLE :: SUB(:) ! If an element true, then that subset region is active in \n ! the same instruction as the large region\n REAL, ALLOCATABLE :: MASK(:,:) ! Remainder of the large region minus all subset regions in SUB\n END TYPE DESID_REG_RMDR_TYPE\n TYPE( DESID_REG_RMDR_TYPE ),ALLOCATABLE :: DESID_REG_RMDR( : ) ! Structure of Masks defining the remainder of \n ! regions after subtracting their subset regions\n\n ! Define Structure for Holding Emissions Aerosol Mode Information Globally\n TYPE DESID_STREAM_AERO_TYPE\n INTEGER :: LEN\n INTEGER, ALLOCATABLE :: REF( : )\n CHARACTER( 16 ), ALLOCATABLE :: NAME( : )\n REAL, ALLOCATABLE :: FACNUM( :,: )\n REAL, ALLOCATABLE :: FACSRF( :,: )\n END TYPE DESID_STREAM_AERO_TYPE\n TYPE( DESID_STREAM_AERO_TYPE ), ALLOCATABLE :: DESID_STREAM_AERO( : )\n \n ! Define Emissions File Attribute Variables\n CHARACTER( 200 ),ALLOCATABLE :: DESID_STREAM_NAME( : ) ! Filename of each emissions stream\n CHARACTER( 32 ),ALLOCATABLE :: DESID_STREAM_LAB ( : ) ! Nickname of each emissions stream\n CHARACTER( 16 ),ALLOCATABLE :: DESID_STREAM_TYPE( : ) ! shortname for the type of each emission\n INTEGER, ALLOCATABLE :: DESID_STREAM_ITYPE( : ) ! shortname for the type of each emission\n CHARACTER( 100 ),ALLOCATABLE :: DESID_STREAM_DESC( : ) ! Description of each emissions stream\n LOGICAL, ALLOCATABLE :: DESID_STREAM_LAPPLY( : )! Flag to use each emissions stream\n LOGICAL ,ALLOCATABLE :: DESID_STREAM_DIFF( :,: )! Test for whether or not a stream contributes to \n ! a particular transported variable\n LOGICAL ,ALLOCATABLE :: DESID_STREAM_SYM_DATE( : ) ! Toggle for whether or not to let the \n ! emission stream date override the model\n INTEGER ,ALLOCATABLE :: DESID_STREAM_DATE( : )! Date to be read in from each emissions stream\n LOGICAL ,ALLOCATABLE :: DESID_STREAM_FIRE( : )! Is this Emission Stream Representing Fires (1=Yes)\n\n INTEGER ,ALLOCATABLE :: DESID_DIAG_N_STREAM( : ) ! Number of Streams for each diagnostic file\n LOGICAL ,ALLOCATABLE :: DESID_DIAG_STREAM_MASK(:,:) ! True if a stream contributes to a diagnostic\n CHARACTER( 16 ) ,ALLOCATABLE :: DESID_DIAG_LOGICAL( : ) ! I/O Logical Name for each diagnostic file\n CHARACTER( 6 ) ,ALLOCATABLE :: DESID_DIAG_FORMAT( : ) ! FALSE/TRUE/2D/3D/2DCOL\n CHARACTER( 300 ),ALLOCATABLE :: DESID_DIAG_FILENAME( : ) ! Filename for diagnostic\n CHARACTER( 32 ) ,ALLOCATABLE :: DESID_DIAG_LAB( : ) ! Shorthand Label for Diagnostic\n INTEGER ,ALLOCATABLE :: DESID_DIAG_LAYS( : ) ! Layers for each diagnostic file\n INTEGER ,ALLOCATABLE :: DESID_DIAG_SUM( : )\n REAL ,ALLOCATABLE :: VDEMIS_DIAG( :,:,:,: ) ! Rates for aggregate diagnostic files\n\n TYPE DESID_DIAG_SPEC_TYPE\n INTEGER :: NSPEC\n CHARACTER(16),ALLOCATABLE :: SPEC( : )\n CHARACTER(16),ALLOCATABLE :: UNITS( : )\n INTEGER :: NPAIRS\n INTEGER ,ALLOCATABLE :: MAP_toDIFF( : )\n INTEGER ,ALLOCATABLE :: MAP_toDIAG( : )\n END TYPE DESID_DIAG_SPEC_TYPE\n TYPE( DESID_DIAG_SPEC_TYPE ), ALLOCATABLE :: DESID_DIAG_SPEC( : )\n TYPE( DESID_DIAG_SPEC_TYPE ), ALLOCATABLE :: DESID_DIAG_SPEC_BUFF( : )\n\n INTEGER ,ALLOCATABLE :: Map_DIAGtoVDEMIS( :,: )\n\n INTEGER :: IBIOSRM, IMIOGSRM, IMGSRM, ILTSRM, ISEASRM, IDUSTSRM\n INTEGER, ALLOCATABLE :: IGSRM( : ), IPSRM( : ), ITSRM( : ), MAP_PTtoISRM( : )\n\n INTEGER, ALLOCATABLE :: Map_ISTRtoEMVAR( :,: ), Map_ISTRtoDIFF( : ), Map_ISTRtoGAS( : )\n\n ! Create Lookup table of Molecular Weight for likely emission\n ! variable species. These values are used to compute mole <-> mass\n ! conversions if requested. This is a comprehensive list of all\n ! possible emitted species across all chemical mechanisms\n ! supported by CMAQ.\n Type desid_legend\n Character( 16 ) :: NAME ! Emissions Variable Species\n REAL :: MW ! Emissions Variable Molecular Weight [g mol-1]\n End Type desid_legend\n \n Integer, Parameter :: Desid_N_Emvar_Table = 208\n Type( desid_legend ), save :: Desid_Emvar_Table( Desid_N_Emvar_Table)\n\n CONTAINS\n\n SUBROUTINE INIT_DESID_EMVAR_MW()\n\n ! CB SAPRC CRACMM \n ! Inorganic Gases\n Desid_Emvar_Table( 1) = desid_legend( 'CH4 ' ,016.0 ) ! x\n Desid_Emvar_Table( 2) = desid_legend( 'CL2 ' ,071.0 ) ! x x\n Desid_Emvar_Table( 3) = desid_legend( 'CO ' ,028.0 ) ! x x x\n Desid_Emvar_Table( 4) = desid_legend( 'HCL ' ,036.5 ) ! x x x\n Desid_Emvar_Table( 5) = desid_legend( 'HONO ' ,047.0 ) ! x x x\n Desid_Emvar_Table( 6) = desid_legend( 'NH3 ' ,017.0 ) ! x x x\n Desid_Emvar_Table( 7) = desid_legend( 'NH3_FERT ' ,017.0 ) ! x x x\n Desid_Emvar_Table( 8) = desid_legend( 'NO ' ,030.0 ) ! x x x\n Desid_Emvar_Table( 9) = desid_legend( 'NO2 ' ,046.0 ) ! x x x\n Desid_Emvar_Table( 10) = desid_legend( 'SO2 ' ,064.0 ) ! x x x\n Desid_Emvar_Table( 11) = desid_legend( 'SULF ' ,098.0 ) ! x x x\n\n ! Organic Gases\n Desid_Emvar_Table( 12) = desid_legend( '13BDE ' ,054.1 ) !\n Desid_Emvar_Table( 13) = desid_legend( 'AACD ' ,060.1 ) ! x x\n Desid_Emvar_Table( 14) = desid_legend( 'ACD ' ,044.0 ) ! x\n Desid_Emvar_Table( 15) = desid_legend( 'ACE ' ,026.0 ) ! x\n Desid_Emvar_Table( 16) = desid_legend( 'ACET ' ,058.1 ) ! x x\n Desid_Emvar_Table( 17) = desid_legend( 'ACETONE ' ,058.1 ) ! x\n Desid_Emvar_Table( 18) = desid_legend( 'ACRO ' ,056.1 ) ! x x\n Desid_Emvar_Table( 19) = desid_legend( 'ACROLEIN ' ,056.1 ) ! x x\n Desid_Emvar_Table( 20) = desid_legend( 'ACT ' ,058.0 ) ! x\n Desid_Emvar_Table( 21) = desid_legend( 'ACYE ' ,026.0 ) ! x\n Desid_Emvar_Table( 22) = desid_legend( 'ALD ' ,058.0 ) ! x\n Desid_Emvar_Table( 23) = desid_legend( 'ALD2 ' ,044.0 ) ! x\n Desid_Emvar_Table( 24) = desid_legend( 'ALD2_PRIMARY ' ,044.0 ) ! x\n Desid_Emvar_Table( 25) = desid_legend( 'ALDX ' ,058.1 ) ! x\n Desid_Emvar_Table( 26) = desid_legend( 'ALK1 ' ,030.1 ) ! x\n Desid_Emvar_Table( 27) = desid_legend( 'ALK2 ' ,036.7 ) ! x\n Desid_Emvar_Table( 28) = desid_legend( 'ALK3 ' ,058.6 ) ! x\n Desid_Emvar_Table( 29) = desid_legend( 'ALK4 ' ,077.6 ) ! x\n Desid_Emvar_Table( 30) = desid_legend( 'ALK5 ' ,118.9 ) ! x\n Desid_Emvar_Table( 31) = desid_legend( 'API ' ,136.4 ) ! x\n Desid_Emvar_Table( 32) = desid_legend( 'APIN ' ,136.2 ) ! x x\n Desid_Emvar_Table( 33) = desid_legend( 'ARO1 ' ,095.2 ) ! x\n Desid_Emvar_Table( 34) = desid_legend( 'ARO2MN ' ,118.7 ) ! x\n Desid_Emvar_Table( 35) = desid_legend( 'B124 ' ,120.2 ) ! x\n Desid_Emvar_Table( 36) = desid_legend( 'BACL ' ,086.1 ) ! x\n Desid_Emvar_Table( 37) = desid_legend( 'BALD ' ,106.0 ) ! x x\n Desid_Emvar_Table( 38) = desid_legend( 'BDE13 ' ,054.1 ) ! x x\n Desid_Emvar_Table( 39) = desid_legend( 'BEN ' ,078.1 ) ! x\n Desid_Emvar_Table( 40) = desid_legend( 'BENZ ' ,078.1 ) ! x x\n Desid_Emvar_Table( 41) = desid_legend( 'BENZENE ' ,078.1 ) ! x\n Desid_Emvar_Table( 42) = desid_legend( 'BUTADIENE13 ' ,054.0 ) ! x\n Desid_Emvar_Table( 43) = desid_legend( 'CCHO ' ,044.1 ) ! x\n Desid_Emvar_Table( 44) = desid_legend( 'CCOOH ' ,060.05) ! x\n Desid_Emvar_Table( 45) = desid_legend( 'CRES ' ,108.1 ) ! x x\n Desid_Emvar_Table( 46) = desid_legend( 'CSL ' ,136.2 ) ! x\n Desid_Emvar_Table( 47) = desid_legend( 'DCB1 ' ,098.0 ) ! x\n Desid_Emvar_Table( 48) = desid_legend( 'DIEN ' ,054.0 ) ! x\n Desid_Emvar_Table( 49) = desid_legend( 'ETE ' ,028.1 ) ! x\n Desid_Emvar_Table( 50) = desid_legend( 'ETEG ' ,062.1 ) ! x\n Desid_Emvar_Table( 51) = desid_legend( 'ETHA ' ,030.1 ) ! x\n Desid_Emvar_Table( 52) = desid_legend( 'ETH ' ,030.1 ) ! x x\n Desid_Emvar_Table( 53) = desid_legend( 'ETHE ' ,028.1 ) ! x\n Desid_Emvar_Table( 54) = desid_legend( 'ETHENE ' ,028.1 ) ! x\n Desid_Emvar_Table( 55) = desid_legend( 'ETHY ' ,026.0 ) ! x\n Desid_Emvar_Table( 56) = desid_legend( 'ETOH ' ,046.1 ) ! x x\n Desid_Emvar_Table( 57) = desid_legend( 'EOH ' ,046.1 ) ! x\n Desid_Emvar_Table( 58) = desid_legend( 'FACD ' ,046.0 ) ! x x\n Desid_Emvar_Table( 59) = desid_legend( 'FORM ' ,030.0 ) ! x\n Desid_Emvar_Table( 60) = desid_legend( 'FORM_PRIMARY ' ,030.0 ) ! x\n Desid_Emvar_Table( 61) = desid_legend( 'FURAN ' ,096.1 ) ! x\n Desid_Emvar_Table( 62) = desid_legend( 'GLY ' ,058.0 ) ! x x x\n Desid_Emvar_Table( 63) = desid_legend( 'HC3 ' ,044.1 ) ! x\n Desid_Emvar_Table( 64) = desid_legend( 'HC5 ' ,072.1 ) ! x\n Desid_Emvar_Table( 65) = desid_legend( 'HC8 ' ,114.0 ) ! x\n Desid_Emvar_Table( 66) = desid_legend( 'HC10 ' ,142.28) ! x\n Desid_Emvar_Table( 67) = desid_legend( 'HCHO ' ,030.0 ) ! x x\n Desid_Emvar_Table( 68) = desid_legend( 'HCOOH ' ,046.03) ! x\n Desid_Emvar_Table( 69) = desid_legend( 'HKET ' ,074.0 ) ! x\n Desid_Emvar_Table( 70) = desid_legend( 'IOLE ' ,056.1 ) ! x\n Desid_Emvar_Table( 71) = desid_legend( 'IPRD ' ,100.1 ) ! x\n Desid_Emvar_Table( 72) = desid_legend( 'ISO ' ,068.1 ) ! x\n Desid_Emvar_Table( 73) = desid_legend( 'ISOP ' ,068.1 ) ! x x\n Desid_Emvar_Table( 74) = desid_legend( 'ISOPRENE ' ,068.1 ) ! x\n Desid_Emvar_Table( 75) = desid_legend( 'KET ' ,086.0 ) ! x x\n Desid_Emvar_Table( 76) = desid_legend( 'LIM ' ,136.3 ) ! x\n Desid_Emvar_Table( 77) = desid_legend( 'MACR ' ,070.0 ) ! x x\n Desid_Emvar_Table( 78) = desid_legend( 'MCT ' ,124.1 ) ! x\n Desid_Emvar_Table( 79) = desid_legend( 'MEK ' ,072.1 ) ! x x\n Desid_Emvar_Table( 80) = desid_legend( 'MEOH ' ,032.0 ) ! x x\n Desid_Emvar_Table( 81) = desid_legend( 'MGLY ' ,072.0 ) ! x x x\n Desid_Emvar_Table( 82) = desid_legend( 'MOH ' ,032.0 ) ! x\n Desid_Emvar_Table( 83) = desid_legend( 'MVK ' ,070.1 ) ! x x\n Desid_Emvar_Table( 84) = desid_legend( 'MXYL ' ,106.2 ) ! x\n Desid_Emvar_Table( 85) = desid_legend( 'NAPH ' ,128.17) ! x x\n Desid_Emvar_Table( 86) = desid_legend( 'NAPHTHALENE ' ,128.17) ! x\n Desid_Emvar_Table( 87) = desid_legend( 'OLE ' ,042.1 ) ! x\n Desid_Emvar_Table( 88) = desid_legend( 'OLE1 ' ,072.3 ) ! x\n Desid_Emvar_Table( 89) = desid_legend( 'OLE2 ' ,075.8 ) ! x\n Desid_Emvar_Table( 90) = desid_legend( 'OLI ' ,070.1 ) ! x\n Desid_Emvar_Table( 91) = desid_legend( 'OLT ' ,042.0 ) ! x\n Desid_Emvar_Table( 92) = desid_legend( 'ONIT ' ,119.0 ) ! x\n Desid_Emvar_Table( 93) = desid_legend( 'ORA1 ' ,046.0 ) ! x\n Desid_Emvar_Table( 94) = desid_legend( 'ORA2 ' ,060.2 ) ! x\n Desid_Emvar_Table( 95) = desid_legend( 'OXYL ' ,106.2 ) ! x\n Desid_Emvar_Table( 96) = desid_legend( 'PACD ' ,076.0 ) ! x x\n Desid_Emvar_Table( 97) = desid_legend( 'PAR ' ,014.0 ) ! x\n Desid_Emvar_Table( 98) = desid_legend( 'PHEN ' ,110.1 ) ! x\n Desid_Emvar_Table( 99) = desid_legend( 'PRD2 ' ,116.2 ) ! x\n Desid_Emvar_Table(100) = desid_legend( 'PROG ' ,076.1 ) ! x\n Desid_Emvar_Table(101) = desid_legend( 'PROPENE ' ,042.1 ) ! x\n Desid_Emvar_Table(102) = desid_legend( 'PRPA ' ,044.1 ) ! x\n Desid_Emvar_Table(103) = desid_legend( 'PRPE ' ,042.1 ) ! x\n Desid_Emvar_Table(104) = desid_legend( 'PXYL ' ,106.2 ) ! x\n Desid_Emvar_Table(105) = desid_legend( 'RCHO ' ,058.1 ) ! x\n Desid_Emvar_Table(106) = desid_legend( 'RNO3 ' ,147.2 ) ! x\n Desid_Emvar_Table(107) = desid_legend( 'ROH ' ,060.0 ) ! x\n Desid_Emvar_Table(108) = desid_legend( 'SESQ ' ,204.4 ) ! x x x\n Desid_Emvar_Table(109) = desid_legend( 'SLOWROC ' ,075.4 ) ! x \n Desid_Emvar_Table(110) = desid_legend( 'SOAALK ' ,112.0 ) ! x x\n Desid_Emvar_Table(111) = desid_legend( 'TERP ' ,136.2 ) ! x x\n Desid_Emvar_Table(112) = desid_legend( 'TOL ' ,092.1 ) ! x x\n Desid_Emvar_Table(113) = desid_legend( 'TOLU ' ,092.0 ) ! x x\n Desid_Emvar_Table(114) = desid_legend( 'TOLUENE ' ,092.1 ) ! x\n Desid_Emvar_Table(115) = desid_legend( 'UALD ' ,084.1 ) ! x\n Desid_Emvar_Table(116) = desid_legend( 'VROCIOXY ' ,247.0 ) ! x \n Desid_Emvar_Table(117) = desid_legend( 'XYE ' ,106.2 ) ! x\n Desid_Emvar_Table(118) = desid_legend( 'XYLMN ' ,106.2 ) ! x\n Desid_Emvar_Table(119) = desid_legend( 'XYM ' ,106.2 ) ! x\n Desid_Emvar_Table(120) = desid_legend( 'XYO ' ,106.0 ) ! x\n Desid_Emvar_Table(121) = desid_legend( 'XYOP ' ,106.2 ) ! x\n Desid_Emvar_Table(122) = desid_legend( 'XYP ' ,106.0 ) ! x\n \n\n ! Particles\n Desid_Emvar_Table(123) = desid_legend( 'ASOIL ' ,100.0 ) ! x x x\n Desid_Emvar_Table(124) = desid_legend( 'ASEACAT ' ,023.75) ! x x x\n Desid_Emvar_Table(125) = desid_legend( 'PAL ' ,027.0 ) ! x x x\n Desid_Emvar_Table(126) = desid_legend( 'PCA ' ,040.1 ) ! x x x\n Desid_Emvar_Table(127) = desid_legend( 'PCL ' ,035.5 ) ! x x x\n Desid_Emvar_Table(128) = desid_legend( 'PEC ' ,012.0 ) ! x x x\n Desid_Emvar_Table(129) = desid_legend( 'PFE ' ,055.8 ) ! x x x\n Desid_Emvar_Table(130) = desid_legend( 'PK ' ,039.1 ) ! x x x\n Desid_Emvar_Table(131) = desid_legend( 'PH2O ' ,018.0 ) ! x x x\n Desid_Emvar_Table(132) = desid_legend( 'PMC ' ,100.0 ) ! x x x\n Desid_Emvar_Table(133) = desid_legend( 'PMG ' ,024.3 ) ! x x x\n Desid_Emvar_Table(134) = desid_legend( 'PMN ' ,054.9 ) ! x x x\n Desid_Emvar_Table(135) = desid_legend( 'PMNCOMN2 ' ,422.83) ! x x x POC value\n Desid_Emvar_Table(136) = desid_legend( 'PMOCN2 ' ,422.83) ! x x x PNCOM value\n Desid_Emvar_Table(137) = desid_legend( 'PMOTHR ' ,200.0 ) ! x x x\n Desid_Emvar_Table(138) = desid_legend( 'PNA ' ,023.0 ) ! x x x\n Desid_Emvar_Table(139) = desid_legend( 'PNCOM ' ,220.0 ) ! x x x\n Desid_Emvar_Table(140) = desid_legend( 'PNCOMN2 ' ,506.99) ! x x x based on ALK equivalent C*\n Desid_Emvar_Table(141) = desid_legend( 'PNCOMN1 ' ,408.80) ! x x x based on ALK equivalent C*\n Desid_Emvar_Table(142) = desid_legend( 'PNCOMP0 ' ,394.77) ! x x x based on ALK equivalent C*\n Desid_Emvar_Table(143) = desid_legend( 'PNCOMP1 ' ,380.75) ! x x x based on ALK equivalent C*\n Desid_Emvar_Table(144) = desid_legend( 'PNCOMP2 ' ,338.66) ! x x x based on ALK equivalent C*\n Desid_Emvar_Table(145) = desid_legend( 'PNH4 ' ,018.0 ) ! x x x\n Desid_Emvar_Table(146) = desid_legend( 'PNO3 ' ,062.0 ) ! x x x\n Desid_Emvar_Table(147) = desid_legend( 'POC ' ,220.0 ) ! x x x\n Desid_Emvar_Table(148) = desid_legend( 'POCN2 ' ,506.99) ! x x x based on ALK equivalent C*\n Desid_Emvar_Table(149) = desid_legend( 'POCN1 ' ,408.80) ! x x x based on ALK equivalent C*\n Desid_Emvar_Table(150) = desid_legend( 'POCP0 ' ,394.77) ! x x x based on ALK equivalent C*\n Desid_Emvar_Table(151) = desid_legend( 'POCP1 ' ,380.75) ! x x x based on ALK equivalent C*\n Desid_Emvar_Table(152) = desid_legend( 'POCP2 ' ,338.66) ! x x x \n Desid_Emvar_Table(153) = desid_legend( 'PSI ' ,028.1 ) ! x x x\n Desid_Emvar_Table(154) = desid_legend( 'PSO4 ' ,096.0 ) ! x x x\n Desid_Emvar_Table(155) = desid_legend( 'PTI ' ,047.9 ) ! x x x\n Desid_Emvar_Table(156) = desid_legend( 'ROCN2 ' ,422.83) ! x x x \n Desid_Emvar_Table(157) = desid_legend( 'ROCN1 ' ,408.8 ) ! x x x \n Desid_Emvar_Table(158) = desid_legend( 'ROCP0 ' ,394.77) ! x x x \n Desid_Emvar_Table(159) = desid_legend( 'ROCP1 ' ,380.75) ! x x x \n Desid_Emvar_Table(160) = desid_legend( 'ROCP2 ' ,338.66) ! x x x \n Desid_Emvar_Table(161) = desid_legend( 'ROCP3 ' ,296.58) ! x x x \n Desid_Emvar_Table(162) = desid_legend( 'ROCP4 ' ,254.50) ! x x x \n Desid_Emvar_Table(163) = desid_legend( 'ROCP5 ' ,198.39) ! x x x \n Desid_Emvar_Table(164) = desid_legend( 'ROCP6 ' ,184.37) ! x x x \n Desid_Emvar_Table(165) = desid_legend( 'ROCN2ALK ' ,422.83) ! x x x \n Desid_Emvar_Table(166) = desid_legend( 'ROCN1ALK ' ,408.8 ) ! x x x \n Desid_Emvar_Table(167) = desid_legend( 'ROCP0ALK ' ,394.77) ! x x x \n Desid_Emvar_Table(168) = desid_legend( 'ROCP1ALK ' ,380.75) ! x x x \n Desid_Emvar_Table(169) = desid_legend( 'ROCP2ALK ' ,338.66) ! x x x \n Desid_Emvar_Table(160) = desid_legend( 'ROCP3ALK ' ,296.58) ! x x x \n Desid_Emvar_Table(171) = desid_legend( 'ROCP4ALK ' ,254.50) ! x x x \n Desid_Emvar_Table(172) = desid_legend( 'ROCP5ALK ' ,198.39) ! x x x \n Desid_Emvar_Table(173) = desid_legend( 'ROCP6ALK ' ,184.37) ! x x x \n Desid_Emvar_Table(174) = desid_legend( 'ROCP5ARO ' ,190.33) ! x x x \n Desid_Emvar_Table(175) = desid_legend( 'ROCP6ARO ' ,176.30) ! x x x \n Desid_Emvar_Table(176) = desid_legend( 'ROCN2OXY2 ' ,282.4 ) ! x x x \n Desid_Emvar_Table(177) = desid_legend( 'ROCN2OXY4 ' ,232.3 ) ! x x x \n Desid_Emvar_Table(178) = desid_legend( 'ROCP0OXY2 ' ,242.4 ) ! x x x \n Desid_Emvar_Table(179) = desid_legend( 'ROCP0OXY4 ' ,202.3 ) ! x x x \n Desid_Emvar_Table(170) = desid_legend( 'ROCP1OXY1 ' ,270.5 ) ! x x x \n Desid_Emvar_Table(181) = desid_legend( 'ROCP1OXY3 ' ,202.3 ) ! x x x \n Desid_Emvar_Table(182) = desid_legend( 'ROCP2OXY2 ' ,200.3 ) ! x x x \n Desid_Emvar_Table(183) = desid_legend( 'ROCP3OXY2 ' ,186.3 ) ! x x x \n \n ! Toxics \n Desid_Emvar_Table(184) = desid_legend( 'HGNRVA ' ,200.6 ) \n Desid_Emvar_Table(185) = desid_legend( 'HGIIGAS ' ,200.6 ) \n Desid_Emvar_Table(186) = desid_legend( 'NICKEL_F ' ,058.7 ) \n Desid_Emvar_Table(187) = desid_legend( 'NICKEL_C ' ,058.7 ) \n Desid_Emvar_Table(188) = desid_legend( 'CHROMEHEX_F ' ,052.0 ) \n Desid_Emvar_Table(189) = desid_legend( 'CHROMEHEX_C ' ,052.0 ) \n Desid_Emvar_Table(190) = desid_legend( 'CHROMTRI_F ' ,052.0 ) \n Desid_Emvar_Table(191) = desid_legend( 'CHROMTRI_C ' ,052.0 ) \n Desid_Emvar_Table(192) = desid_legend( 'BERYLLIUM_F ' ,009.0 ) \n Desid_Emvar_Table(193) = desid_legend( 'BERYLLIUM_C ' ,009.0 ) \n Desid_Emvar_Table(194) = desid_legend( 'LEAD_F ' ,207.2 ) \n Desid_Emvar_Table(195) = desid_legend( 'LEAD_C ' ,207.2 ) \n Desid_Emvar_Table(196) = desid_legend( 'DIESEL_PMFINE' ,200.0 ) \n Desid_Emvar_Table(197) = desid_legend( 'DIESEL_PMEC ' ,012.0 ) \n Desid_Emvar_Table(198) = desid_legend( 'DIESEL_PMOC ' ,220.0 ) \n Desid_Emvar_Table(199) = desid_legend( 'DIESEL_PMNO3 ' ,062.0 ) \n Desid_Emvar_Table(200) = desid_legend( 'DIESEL_PMSO4 ' ,096.0 ) \n Desid_Emvar_Table(201) = desid_legend( 'DIESEL_PMC ' ,100.0 ) \n Desid_Emvar_Table(202) = desid_legend( 'CADMIUM_F ' ,112.4 ) \n Desid_Emvar_Table(203) = desid_legend( 'CADMIUM_C ' ,112.4 ) \n Desid_Emvar_Table(204) = desid_legend( 'MANGANESE_F ' ,054.9 ) \n Desid_Emvar_Table(205) = desid_legend( 'MANGANESE_C ' ,054.9 ) \n Desid_Emvar_Table(206) = desid_legend( 'ARSENIC_F ' ,074.92) \n Desid_Emvar_Table(207) = desid_legend( 'ARSENIC_C ' ,074.92) \n Desid_Emvar_Table(208) = desid_legend( 'PHGI ' ,200.5 ) \n \n END SUBROUTINE \n \n \n END MODULE DESID_VARS \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n" }, { "path": "CCTM/src/emis/emis/lus_data_module.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n!------------------------------------------------------------------------!\n! This module contains key component from LUS_DEFN.F to facilitate \n! centralized I/O implementation by avoiding cyclic data dependence\n\n! Revision History:\n! 01 Feb 2019 D.Wong initial implementation\n! 12 Aug 2019 F.Sidi Moved vnmld to its on type, and created a integer entry \n! to map dust categories from LUFRAC. **NOTE land use type\n! with no mapped index has a dummy -999 value.** \n! 31 Mar 2022 J. Willison Removed BELD as wbdust input \n!------------------------------------------------------------------------!\n\n module lus_data_module\n\n implicit none\n\n type lus_type\n character( 16 ) :: name\n character( 64 ) :: desc\n end type lus_type\n \n type lus_type_2\n character( 16 ) :: name\n character( 64 ) :: desc\n integer :: lu_idx\n end type lus_type_2\n\n\n type( lus_type_2 ), allocatable :: vnmld( : )\n type( lus_type ), allocatable :: vnmlu( : )\n\n real, allocatable :: ladut( :,:,: ) ! % of desertland\n real, allocatable :: lut( :,:,: ) ! landuse category fraction\n real, allocatable :: dmsk( : ) ! desert fraction mask\n real, allocatable :: uland( :,:,: ) ! % of 4 land categories groups\n integer, allocatable :: dmap( : ) ! desert land map to BELD3\n\n character( 16 ) :: lufile( 2 ) = ' '\n integer :: n_dlcat ! number of desert land categories\n integer :: n_lucat ! number of landuse categories\n\n! USGS - United States Geological Survey\n! NOAH - A community land-surface model [N=NCEP, O=Oregon State Univ.,\n! A=Air Force, H=Hydrologic Research Lab - NWS(now OHD: Office of\n! Hydrologic Devel.)]\n! MODIS - MODerate resolution Imaging Spectroradiometer\n! NLCD - National Land Cover Dataset\n! IGBP - International Geosphere-Biosphere Programme\n\n\n! USGS24 - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -\n! read file: GRID_CRO_2D\n\n integer, parameter :: n_dlcat_usgs24 = 4 ! number of desert land categories\n type( lus_type_2 ), parameter :: vnmld_usgs24( n_dlcat_usgs24 ) = (/\n & lus_type_2( 'LUFRAC_08', 'Shrubland ',8 ),\n & lus_type_2( 'LUFRAC_19', 'Barren or Sparsely Vegetated',19 ),\n & lus_type_2( 'LUFRAC_22', 'Mixed Tundra ',22 ),\n & lus_type_2( 'LUFRAC_23', 'Bare Ground Tundra ',23 ) /)\n\n!!!!! Is some 'tundra' desert land?\n\n real :: dmsk_usgs24( n_dlcat_usgs24 ) = ! land use type desert fraction\n & (/ 0.50, ! shrubland\n & 0.75, ! barrenland\n & 0.75, ! barrenland\n & 0.75 /) ! barrenland\n\n integer :: dmap_usgs24( n_dlcat_usgs24+1 ) = ! land use type desert map to BELD3\n & (/ 1, ! shrubland\n & 3, ! barrenland\n & 3, ! barrenland\n & 3, ! barrenland\n & 3 /) ! ag landuse surrogate\n\n integer, parameter :: n_lucat_usgs24 = 24 ! number of landuse categories\n type( lus_type ), parameter :: vnmlu_usgs24( n_lucat_usgs24 ) = (/\n & lus_type( 'LUFRAC_01', 'Urban Land ' ),\n & lus_type( 'LUFRAC_02', 'Dryland Cropland and Pasture ' ),\n & lus_type( 'LUFRAC_03', 'Irrigated Cropland and Pasture ' ),\n & lus_type( 'LUFRAC_04', 'Mixed Dryland and Irrigated Cropland and Pasture' ),\n & lus_type( 'LUFRAC_05', 'Cropland-Grassland Mosaic ' ),\n & lus_type( 'LUFRAC_06', 'Cropland-Woodland Mosaic ' ),\n & lus_type( 'LUFRAC_07', 'Grassland ' ),\n & lus_type( 'LUFRAC_08', 'Shrubland ' ),\n & lus_type( 'LUFRAC_09', 'Mixed Shrubland-Grassland ' ),\n & lus_type( 'LUFRAC_10', 'Savannah ' ),\n & lus_type( 'LUFRAC_11', 'Deciduous Broadleaf Forest ' ),\n & lus_type( 'LUFRAC_12', 'Deciduous Needleleaf Forest ' ),\n & lus_type( 'LUFRAC_13', 'Evergreen Broadleaf Forest ' ),\n & lus_type( 'LUFRAC_14', 'Evergreen Needleleaf Forest ' ),\n & lus_type( 'LUFRAC_15', 'Mixed Forest ' ),\n & lus_type( 'LUFRAC_16', 'Water ' ),\n & lus_type( 'LUFRAC_17', 'Herbaceous Wetland ' ),\n & lus_type( 'LUFRAC_18', 'Wooded Wetland ' ),\n & lus_type( 'LUFRAC_19', 'Barren or Sparsely Vegetated ' ),\n & lus_type( 'LUFRAC_20', 'Herbaceous Tundra ' ),\n & lus_type( 'LUFRAC_21', 'Wooded Tundra ' ),\n & lus_type( 'LUFRAC_22', 'Mixed Tundra ' ),\n & lus_type( 'LUFRAC_23', 'Bare Ground Tundra ' ),\n & lus_type( 'LUFRAC_24', 'Snow or Ice ' ) /)\n\n! MODIS - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -\n! read file: GRID_CRO_2D\n\n integer, parameter :: n_dlcat_modis = 1 ! number of desert land categories\n type( lus_type_2 ), parameter :: vnmld_modis( n_dlcat_modis ) = (/\n & lus_type_2( 'nada', 'nada',-999 ) /)\n real :: dmsk_modis( n_dlcat_modis ) = 0.0 ! land use type desert fraction\n integer :: dmap_modis( n_dlcat_modis+1 ) = 0 ! land use type desert map to BELD3\n integer, parameter :: n_lucat_modis = 1 ! number of landuse categories\n type( lus_type ), parameter :: vnmlu_modis( n_lucat_modis ) = (/\n & lus_type( 'nada', 'nada' ) /)\n\n! 1 MODIS_0: 31. MODIS: 0 water\n! 4 MODIS_1: 32. MODIS: 1 evergreen needleleaf forest\n! 4 MODIS_2: 33. MODIS: 2 evergreen broadleaf forest\n! 4 MODIS_3: 34. MODIS: 3 deciduous needleleaf forest\n! 4 MODIS_4: 35. MODIS: 4 deciduous broadleaf forest\n! 4 MODIS_5: 36. MODIS: 5 mixed forests\n! 2 MODIS_6: 37. MODIS: 6 closed shrublands\n! 2 MODIS_7: 38. MODIS: 7 open shrublands\n! 4 MODIS_8: 39. MODIS: 8 woody savannas\n! 2 MODIS_9: 40. MODIS: 9 savannas\n! 2 MODIS_10: 41. MODIS: 10 grasslands\n! 4 MODIS_11: 42. MODIS: 11 permanent wetlands\n! 2 MODIS_12: 43. MODIS: 12 croplands\n! 3 MODIS_13: 44. MODIS: 13 urban and built up\n! 2 MODIS_14: 45. MODIS: 14 cropland / natural vegetation mosaic\n! 1 MODIS_15: 46. MODIS: 15 permanent snow and ice\n! 1 MODIS_16: 47. MODIS: 16 barren or sparsely vegetated\n! 1 MODIS_17: 48. MODIS: 17 IGBP water\n! - MODIS_254: 49. MODIS: 254 unclassified\n! - MODIS_255: 50. MODIS: 255 fill value (normally ocean water)\n\n! MODIS_NOAH\n! read file: GRID_CRO_2D\n\n integer, parameter :: n_dlcat_modis_noah = 4 ! number of desert land categories\n type( lus_type_2 ), parameter :: vnmld_modis_noah( n_dlcat_modis_noah ) = (/\n & lus_type_2( 'LUFRAC_06', 'Closed Shrublands ',6 ),\n & lus_type_2( 'LUFRAC_07', 'Open Shrublands ',7 ),\n & lus_type_2( 'LUFRAC_16', 'Barren or Sparsely Vegetated',16 ),\n & lus_type_2( 'LUFRAC_20', 'Barren Tundra ',20 ) /)\n\n real :: dmsk_modis_noah( n_dlcat_modis_noah ) = ! land use type desert fraction\n & (/ 0.50, ! shrubland\n & 0.50, ! shrubland\n & 0.75, ! barrenland\n & 0.75 /) ! barrenland\n\n integer :: dmap_modis_noah( n_dlcat_modis_noah+1 ) = ! land use type desert map to BELD3\n & (/ 1, ! shrubland\n & 1, ! shrubland\n & 3, ! barrenland\n & 3, ! barrenland\n & 3 /) ! ag landuse surrogate\n\n integer, parameter :: n_lucat_modis_noah = 20 ! number of landuse categories\n type( lus_type ), parameter :: vnmlu_modis_noah( n_lucat_modis_noah ) = (/\n & lus_type( 'LUFRAC_01', 'Evergreen Needleleaf Forest ' ),\n & lus_type( 'LUFRAC_02', 'Evergreen Broadleaf Forest ' ),\n & lus_type( 'LUFRAC_03', 'Deciduous Needleleaf Forest ' ),\n & lus_type( 'LUFRAC_04', 'Deciduous Broadleaf Forest ' ),\n & lus_type( 'LUFRAC_05', 'Mixed Forests ' ),\n & lus_type( 'LUFRAC_06', 'Closed Shrublands ' ),\n & lus_type( 'LUFRAC_07', 'Open Shrublands ' ),\n & lus_type( 'LUFRAC_08', 'Woody Savannas ' ),\n & lus_type( 'LUFRAC_09', 'Savannas ' ),\n & lus_type( 'LUFRAC_10', 'Grasslands ' ),\n & lus_type( 'LUFRAC_11', 'Permanent Wetlands ' ),\n & lus_type( 'LUFRAC_12', 'Croplands ' ),\n & lus_type( 'LUFRAC_13', 'Urban and Built-Up ' ),\n & lus_type( 'LUFRAC_14', 'Cropland-Natural Vegetation Mosaic' ),\n & lus_type( 'LUFRAC_15', 'Snow and Ice ' ),\n & lus_type( 'LUFRAC_16', 'Barren or Sparsely Vegetated ' ),\n & lus_type( 'LUFRAC_17', 'Water ' ),\n & lus_type( 'LUFRAC_18', 'Wooded Tundra ' ),\n & lus_type( 'LUFRAC_19', 'Mixed Tundra ' ),\n & lus_type( 'LUFRAC_20', 'Barren Tundra ' ) /)\n\n! NLCD_MODIS or NLCD50 - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -\n! read file: GRID_CRO_2D\n! includes both nlcd and MODIS versions of shrublands\n integer, parameter :: n_dlcat_nlcd_modis = 7 ! number of desert land types\n type( lus_type_2 ), parameter :: vnmld_nlcd_modis( n_dlcat_nlcd_modis ) = (/\n & lus_type_2( 'LUFRAC_37', 'Closed Shrublands ',37 ),\n & lus_type_2( 'LUFRAC_38', 'Open Shrublands ',38 ),\n & lus_type_2( 'LUFRAC_07', 'Barren Land (Rock-Sand-Clay)',7 ),\n & lus_type_2( 'LUFRAC_12', 'Dwarf Scrub ',12 ),\n & lus_type_2( 'LUFRAC_13', 'Shrub-Scrub ',13 ),\n & lus_type_2( 'LUFRAC_18', 'Tundra ',18 ),\n & lus_type_2( 'LUFRAC_47', 'Barren or Sparsely Vegetated',47 ) /)\n\n real :: dmsk_nlcd_modis( n_dlcat_nlcd_modis ) = ! land use type desert fraction\n & (/ 0.50, ! shrubland\n & 0.50, ! shrubland\n & 0.75, ! barrenland\n & 0.75, ! barrenland\n & 0.75, ! barrenland\n & 0.75, ! barrenland\n & 0.75 /) ! barrenland\n\n integer :: dmap_nlcd_modis( n_dlcat_nlcd_modis+1 ) = ! land use type desert map to BELD3\n & (/ 1, ! shrubland\n & 1, ! shrubland\n & 3, ! barrenland\n & 3, ! barrenland\n & 3, ! barrenland\n & 3, ! barrenland\n & 3, ! barrenland\n & 3 /) ! ag landuse surrogate\n\n integer, parameter :: n_lucat_nlcd_modis = 50 ! number of landuse categories\n type( lus_type ), parameter :: vnmlu_nlcd_modis( n_lucat_nlcd_modis ) = (/\n & lus_type( 'LUFRAC_01', 'Open Water' ),\n & lus_type( 'LUFRAC_02', 'Perennial Ice-Snow ' ),\n & lus_type( 'LUFRAC_03', 'Developed Open Space ' ), ! ?\n & lus_type( 'LUFRAC_04', 'Developed Low Intensity ' ),\n & lus_type( 'LUFRAC_05', 'Developed Medium Intensity ' ),\n & lus_type( 'LUFRAC_06', 'Developed High Intensity ' ),\n & lus_type( 'LUFRAC_07', 'Barren Land (Rock-Sand-Clay) ' ),\n & lus_type( 'LUFRAC_08', 'Unconsolidated Shore ' ), ! ?\n & lus_type( 'LUFRAC_09', 'Deciduous Forest ' ),\n & lus_type( 'LUFRAC_10', 'Evergreen Forest ' ),\n & lus_type( 'LUFRAC_11', 'Mixed Forest ' ),\n & lus_type( 'LUFRAC_12', 'Dwarf Scrub ' ),\n & lus_type( 'LUFRAC_13', 'Shrub-Scrub ' ),\n & lus_type( 'LUFRAC_14', 'Grassland-Herbaceous ' ),\n & lus_type( 'LUFRAC_15', 'Sedge-Herbaceous ' ),\n & lus_type( 'LUFRAC_16', 'Lichens ' ),\n & lus_type( 'LUFRAC_17', 'Moss ' ),\n & lus_type( 'LUFRAC_18', 'Tundra ' ),\n & lus_type( 'LUFRAC_19', 'Pasture-Hay ' ),\n & lus_type( 'LUFRAC_20', 'Cultivated Crops ' ),\n & lus_type( 'LUFRAC_21', 'Woody Wetlands ' ),\n & lus_type( 'LUFRAC_22', 'Palustrine Forested Wetland ' ),\n & lus_type( 'LUFRAC_23', 'Palustrine Scrub-Shrub Wetland ' ), ! ?\n & lus_type( 'LUFRAC_24', 'Estuarine Forested Wetland ' ),\n & lus_type( 'LUFRAC_25', 'Estuarine Scrub_Shrub Wetland ' ), ! ?\n & lus_type( 'LUFRAC_26', 'Emergent Herbaceous Wetlands ' ), ! ?\n & lus_type( 'LUFRAC_27', 'Palustrine Emergent Wetland ' ), ! ?\n & lus_type( 'LUFRAC_28', 'Estuarine Emergent Wetland ' ), ! ?\n & lus_type( 'LUFRAC_29', 'Palustrine Aquatic Bed ' ), ! ?\n & lus_type( 'LUFRAC_30', 'Estuarine Aquatic Bed ' ), ! ?\n & lus_type( 'LUFRAC_31', 'Water ' ),\n & lus_type( 'LUFRAC_32', 'Evergreen Needleleaf Forest ' ),\n & lus_type( 'LUFRAC_33', 'Evergreen Broadleaf Forest ' ),\n & lus_type( 'LUFRAC_34', 'Deciduous Needleleaf Forest ' ),\n & lus_type( 'LUFRAC_35', 'Deciduous Broadleaf Forest ' ),\n & lus_type( 'LUFRAC_36', 'Mixed Forests ' ),\n & lus_type( 'LUFRAC_37', 'Closed Shrublands ' ),\n & lus_type( 'LUFRAC_38', 'Open Shrublands ' ),\n & lus_type( 'LUFRAC_39', 'Woody Savannas ' ),\n & lus_type( 'LUFRAC_40', 'Savannas ' ),\n & lus_type( 'LUFRAC_41', 'Grasslands ' ),\n & lus_type( 'LUFRAC_42', 'Permanent Wetlands ' ),\n & lus_type( 'LUFRAC_43', 'Croplands ' ),\n & lus_type( 'LUFRAC_44', 'Urban and Built Up ' ),\n & lus_type( 'LUFRAC_45', 'Cropland-Natural Vegetation Mosaic' ),\n & lus_type( 'LUFRAC_46', 'Permanent Snow and Ice ' ),\n & lus_type( 'LUFRAC_47', 'Barren or Sparsely Vegetated ' ),\n & lus_type( 'LUFRAC_48', 'IGBP Water ' ),\n & lus_type( 'LUFRAC_49', 'unclassified ' ), ! ?\n & lus_type( 'LUFRAC_50', 'fill value ' ) /) ! ?\n\n! NLCD40 - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -\n! read file: GRID_CRO_2D\n! includes both nlcd and MODIS versions of shrublands\n integer, parameter :: n_dlcat_nlcd40 = 6 ! number of desert land types\n type( lus_type_2 ), parameter :: vnmld_nlcd40( n_dlcat_nlcd40 ) = (/\n & lus_type_2( 'LUFRAC_06', 'Closed Shrublands ',6 ),\n & lus_type_2( 'LUFRAC_07', 'Open Shrublands ',7 ),\n & lus_type_2( 'LUFRAC_27', 'Barren Land (Rock-Sand-Clay)',27 ),\n & lus_type_2( 'LUFRAC_31', 'Dwarf Scrub ',31 ),\n & lus_type_2( 'LUFRAC_32', 'Shrub-Scrub ',32 ),\n & lus_type_2( 'LUFRAC_16', 'Barren or Sparsely Vegetated',16 ) /)\n\n real :: dmsk_nlcd40( n_dlcat_nlcd40 ) = ! land use type desert fraction\n & (/ 0.50, ! shrubland\n & 0.50, ! shrubland\n & 0.75, ! barrenland\n & 0.75, ! barrenland\n & 0.75, ! barrenland\n & 0.75 /) ! barrenland\n\n integer :: dmap_nlcd40( n_dlcat_nlcd40+1 ) = ! land use type desert map to BELD3\n & (/ 1, ! shrubland\n & 1, ! shrubland\n & 3, ! barrenland\n & 3, ! barrenland\n & 3, ! barrenland\n & 3, ! barrenland\n & 3 /) ! ag landuse surrogate\n\n integer, parameter :: n_lucat_nlcd40 = 40 ! number of landuse categories\n type( lus_type ), parameter :: vnmlu_nlcd40( n_lucat_nlcd40 ) = (/\n & lus_type( 'LUFRAC_01', 'Evergreen Needleleaf Forest ' ),\n & lus_type( 'LUFRAC_02', 'Evergreen Broadleaf Forest ' ),\n & lus_type( 'LUFRAC_03', 'Deciduous Needleleaf Forest ' ),\n & lus_type( 'LUFRAC_04', 'Deciduous Broadleaf Forest ' ),\n & lus_type( 'LUFRAC_05', 'Mixed Forests ' ),\n & lus_type( 'LUFRAC_06', 'Closed Shrublands ' ),\n & lus_type( 'LUFRAC_07', 'Open Shrublands ' ),\n & lus_type( 'LUFRAC_08', 'Woody Savannas ' ),\n & lus_type( 'LUFRAC_09', 'Savannas ' ),\n & lus_type( 'LUFRAC_10', 'Grasslands ' ),\n & lus_type( 'LUFRAC_11', 'Permanent Wetlands ' ),\n & lus_type( 'LUFRAC_12', 'Croplands ' ),\n & lus_type( 'LUFRAC_13', 'Urban and Built Up ' ),\n & lus_type( 'LUFRAC_14', 'Cropland-Natural Vegetation Mosaic' ),\n & lus_type( 'LUFRAC_15', 'Permanent Snow and Ice ' ),\n & lus_type( 'LUFRAC_16', 'Barren or Sparsely Vegetated ' ),\n & lus_type( 'LUFRAC_17', 'IGBP Water ' ),\n & lus_type( 'LUFRAC_18', 'unclassified ' ), ! ?\n & lus_type( 'LUFRAC_19', 'fill value ' ),\n & lus_type( 'LUFRAC_20', 'unclassified ' ), ! ?\n & lus_type( 'LUFRAC_21', 'Open Water ' ),\n & lus_type( 'LUFRAC_22', 'Perennial Ice-Snow ' ),\n & lus_type( 'LUFRAC_23', 'Developed Open Space ' ), ! ?\n & lus_type( 'LUFRAC_24', 'Developed Low Intensity ' ),\n & lus_type( 'LUFRAC_25', 'Developed Medium Intensity ' ),\n & lus_type( 'LUFRAC_26', 'Developed High Intensity ' ),\n & lus_type( 'LUFRAC_27', 'Barren Land (Rock-Sand-Clay) ' ),\n & lus_type( 'LUFRAC_28', 'Deciduous Forest ' ),\n & lus_type( 'LUFRAC_29', 'Evergreen Forest ' ),\n & lus_type( 'LUFRAC_30', 'Mixed Forest ' ),\n & lus_type( 'LUFRAC_31', 'Dwarf Scrub ' ),\n & lus_type( 'LUFRAC_32', 'Shrub-Scrub ' ),\n & lus_type( 'LUFRAC_33', 'Grassland-Herbaceous ' ),\n & lus_type( 'LUFRAC_34', 'Sedge-Herbaceous ' ),\n & lus_type( 'LUFRAC_35', 'Lichens ' ),\n & lus_type( 'LUFRAC_36', 'Moss ' ),\n & lus_type( 'LUFRAC_37', 'Pasture-Hay ' ),\n & lus_type( 'LUFRAC_38', 'Cultivated Crops ' ),\n & lus_type( 'LUFRAC_39', 'Woody Wetlands ' ),\n & lus_type( 'LUFRAC_40', 'Emergent Herbaceous Wetlands ' ) /) ! ?\n\n end module lus_data_module\n" }, { "path": "CCTM/src/emis/emis/stack_group_data_module.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n!------------------------------------------------------------------------!\n! This module contains key component from STK_PRMS.F to facilitate \n! centralized I/O implementation by avoiding cyclic data dependence\n\n! Revision History:\n! 01 Feb 2019 D.Wong initial implementation, \n!------------------------------------------------------------------------!\n\n module stack_group_data_module\n\n use UDTYPES, ONLY: IARRY1, RARRY1\n\n real, allocatable :: XLOCA(:,:),\n & YLOCA(:,:)\n integer, ALLOCATABLE :: NSRC( : )\n integer, allocatable :: STKID(:,:)\n\n TYPE( RARRY1 ), ALLOCATABLE :: STKDIAM( : )\n TYPE( RARRY1 ), ALLOCATABLE :: STKHT ( : )\n TYPE( RARRY1 ), ALLOCATABLE :: STKTK ( : )\n TYPE( RARRY1 ), ALLOCATABLE :: STKVEL ( : )\n TYPE( RARRY1 ), ALLOCATABLE :: ACRES_BURNED( : )\n\n LOGICAL, ALLOCATABLE :: FIRE_ON( : )\n\n end module stack_group_data_module\n" }, { "path": "CCTM/src/gas/ebi_cb6r3_ae7_aq/hrdata_mod.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n MODULE HRDATA\n\nC*************************************************************************\nC\nC FUNCTION: Mechanism & solver data for EBI solver\nC\nC PRECONDITIONS: For the CB6R3_AE7_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 8, 2022\nC\nC 18 Jul 14 B.Hutzell: revised to use real(8) variables for solution\nC*************************************************************************\n\nc..EBI solver fixed parameters\n INTEGER, PARAMETER :: NEBITER = 1000 ! No. of iterations for EBI\n INTEGER, PARAMETER :: MAX_CELLS_EBI = 1 ! max # cells in local conc arrays\n REAL( 8 ), PARAMETER :: DELTAT = 2.500D+00 ! EBI time step (min)\n\nc..Mechanism specific variables\n INTEGER N_SPEC ! No. of species in mechanism\n INTEGER N_RXNS ! No. of reactions in mechanism\n INTEGER N_EBISP ! No. of species solved by EBI\n INTEGER NING1 ! No. of species in group 1\n INTEGER NING2 ! No. of species in group 2\n INTEGER N_SPCL_RKS ! No. of special rate constants\n INTEGER N_ACTSP ! No. of species in mechanism (non-ss spec)\n INTEGER NCELL ! cell number in EBI Block\n\nc..Control flags\n LOGICAL L_AE_VRSN ! Flag for aerosol version of mech\n LOGICAL L_AQ_VRSN ! Flag for aqueous chemistry version of mech\n LOGICAL CALL_IRR ! Flag initializing for IRR and calling PA_IRR\n\n ! SWITCH for calling DEGRADE routine\n LOGICAL, SAVE :: CALL_DEG = .TRUE.\n\nc..Miscellaneous variables\n INTEGER N_EBI_IT ! No. of iterations for EBI\n INTEGER N_EBI_STEPS ! No. of time steps for EBI\n INTEGER N_INR_STEPS ! No. of inner time steps for EBI\n INTEGER PECOL_OFFSET ! Local Column Offset for processor\n INTEGER PEROW_OFFSET ! Local Column Offset for processor\n \n INTEGER, SAVE :: MODEL_SPECIES ! No. of species in CGRID\n\n REAL( 8 ) EBI_TMSTEP ! Time step for EBI loops (min)\n REAL( 8 ) CHEMSTEP ! Chemistry integration interval (min)\n\nc...Allocatable arrays\n INTEGER, ALLOCATABLE :: EBISP( : ) ! Index of EBI species\n INTEGER, ALLOCATABLE :: SSASP( : ) ! Index of ss species\n INTEGER, ALLOCATABLE :: ACTSP( : ) ! Index of active species\n INTEGER, ALLOCATABLE :: IOLD2NEW( :,: ) ! YC species map, used if NSPECIAL > 0\n\n REAL( 8 ), ALLOCATABLE :: RKI( : ) ! Rate constants\n REAL( 8 ), ALLOCATABLE :: RKI_SAV( :, : ) ! Saved values of RKI for SS species calcs\n\n REAL( 8 ), ALLOCATABLE :: YC ( : ) ! Species concentrations\n REAL( 8 ), ALLOCATABLE :: YC0( : ) ! Species concentrations\n REAL( 8 ), ALLOCATABLE :: YCP( : ) ! Species concentrations\n REAL( 8 ), ALLOCATABLE :: SYC( :, : ) ! Species concentrations\n\n REAL, ALLOCATABLE :: FORWARD_CONV( : ) ! CGRID to CHEM Species conversion factor\n REAL, ALLOCATABLE :: REVERSE_CONV( : ) ! CHEM to CGRID Species conversion factor\n\n REAL( 8 ), ALLOCATABLE :: RXRAT( : ) ! Reaction rates\n REAL( 8 ), ALLOCATABLE :: RTOL( : ) ! Species tolerances\n REAL( 8 ), ALLOCATABLE :: YCCELL( : ) ! ALL Species in cgrid\n REAL( 8 ), ALLOCATABLE :: PROD( : ) ! Prod of species\n REAL( 8 ), ALLOCATABLE :: LOSS( : ) ! Loss of species\n REAL( 8 ), ALLOCATABLE :: PNEG( : )! Negative production rates\n\n REAL, ALLOCATABLE :: PRES( :, :, : ) ! pressure (Pa)\n REAL, ALLOCATABLE :: QV ( :, :, : ) ! water vapor (Kg/Kg air)\n REAL, ALLOCATABLE :: TA ( :, :, : ) ! temperature (K)\n\n REAL, ALLOCATABLE :: SEAICE ( :, :) ! fractional seaice cover, [-]\n REAL, ALLOCATABLE :: DENS( :, :, : ) ! mass density (Kg/m^3)\n\n REAL, ALLOCATABLE :: SEAWATER_ZONE ( :,: ) ! fractional area of OPEN+SURF\n LOGICAL, ALLOCATABLE :: LFLAGIRR ( :,:,: ) ! Conduct IRR for cell\n\n REAL( 8 ), ALLOCATABLE :: ATMPRES ( : ) ! Cell pressure, Atm\n! REAL( 8 ), ALLOCATABLE :: PRESCELL( : ) ! Cell pressure, Pa\n REAL( 8 ), ALLOCATABLE :: H2O ( : ) ! Cell H2O mixing ratio (ppmV)\n REAL( 8 ), ALLOCATABLE :: TEMP ( : ) ! Cell Temperature\n REAL( 8 ), ALLOCATABLE :: DENSITY ( : ) ! Cell mass density (Kg/m3)\n REAL( 8 ), ALLOCATABLE :: HET ( :, : ) ! cell heterogeneous reaction rates\n REAL( 8 ), ALLOCATABLE :: RJIN ( :, : ) ! J-values for a cell\n REAL( 8 ), ALLOCATABLE :: SEAWATER ( : ) ! fractional area of OPEN+SURF for specific cell\n\nc..Species indices\n INTEGER, PARAMETER :: NO2 = 1\n INTEGER, PARAMETER :: NO = 2\n INTEGER, PARAMETER :: O = 3\n INTEGER, PARAMETER :: O3 = 4\n INTEGER, PARAMETER :: NO3 = 5\n INTEGER, PARAMETER :: O1D = 6\n INTEGER, PARAMETER :: OH = 7\n INTEGER, PARAMETER :: HO2 = 8\n INTEGER, PARAMETER :: H2O2 = 9\n INTEGER, PARAMETER :: N2O5 = 10\n INTEGER, PARAMETER :: HNO3 = 11\n INTEGER, PARAMETER :: HONO = 12\n INTEGER, PARAMETER :: PNA = 13\n INTEGER, PARAMETER :: SO2 = 14\n INTEGER, PARAMETER :: SULF = 15\n INTEGER, PARAMETER :: SULRXN = 16\n INTEGER, PARAMETER :: C2O3 = 17\n INTEGER, PARAMETER :: MEO2 = 18\n INTEGER, PARAMETER :: RO2 = 19\n INTEGER, PARAMETER :: PAN = 20\n INTEGER, PARAMETER :: PACD = 21\n INTEGER, PARAMETER :: AACD = 22\n INTEGER, PARAMETER :: CXO3 = 23\n INTEGER, PARAMETER :: ALD2 = 24\n INTEGER, PARAMETER :: XO2H = 25\n INTEGER, PARAMETER :: PANX = 26\n INTEGER, PARAMETER :: FORM = 27\n INTEGER, PARAMETER :: MEPX = 28\n INTEGER, PARAMETER :: MEOH = 29\n INTEGER, PARAMETER :: ROOH = 30\n INTEGER, PARAMETER :: XO2 = 31\n INTEGER, PARAMETER :: XO2N = 32\n INTEGER, PARAMETER :: NTR1 = 33\n INTEGER, PARAMETER :: NTR2 = 34\n INTEGER, PARAMETER :: FACD = 35\n INTEGER, PARAMETER :: CO = 36\n INTEGER, PARAMETER :: HCO3 = 37\n INTEGER, PARAMETER :: ALDX = 38\n INTEGER, PARAMETER :: GLYD = 39\n INTEGER, PARAMETER :: GLY = 40\n INTEGER, PARAMETER :: MGLY = 41\n INTEGER, PARAMETER :: ETHA = 42\n INTEGER, PARAMETER :: ETOH = 43\n INTEGER, PARAMETER :: KET = 44\n INTEGER, PARAMETER :: PAR = 45\n INTEGER, PARAMETER :: ACET = 46\n INTEGER, PARAMETER :: PRPA = 47\n INTEGER, PARAMETER :: XPRP = 48\n INTEGER, PARAMETER :: XPAR = 49\n INTEGER, PARAMETER :: ROR = 50\n INTEGER, PARAMETER :: ETHY = 51\n INTEGER, PARAMETER :: ETH = 52\n INTEGER, PARAMETER :: OLE = 53\n INTEGER, PARAMETER :: IOLE = 54\n INTEGER, PARAMETER :: ISOP = 55\n INTEGER, PARAMETER :: ISO2 = 56\n INTEGER, PARAMETER :: ISOPRXN = 57\n INTEGER, PARAMETER :: ISPD = 58\n INTEGER, PARAMETER :: INTR = 59\n INTEGER, PARAMETER :: ISPX = 60\n INTEGER, PARAMETER :: HPLD = 61\n INTEGER, PARAMETER :: OPO3 = 62\n INTEGER, PARAMETER :: EPOX = 63\n INTEGER, PARAMETER :: EPX2 = 64\n INTEGER, PARAMETER :: TERP = 65\n INTEGER, PARAMETER :: TRPRXN = 66\n INTEGER, PARAMETER :: TERPNRO2 = 67\n INTEGER, PARAMETER :: APIN = 68\n INTEGER, PARAMETER :: BENZENE = 69\n INTEGER, PARAMETER :: CRES = 70\n INTEGER, PARAMETER :: BZO2 = 71\n INTEGER, PARAMETER :: OPEN = 72\n INTEGER, PARAMETER :: BENZRO2 = 73\n INTEGER, PARAMETER :: TOL = 74\n INTEGER, PARAMETER :: TO2 = 75\n INTEGER, PARAMETER :: TOLRO2 = 76\n INTEGER, PARAMETER :: XOPN = 77\n INTEGER, PARAMETER :: XYLMN = 78\n INTEGER, PARAMETER :: XLO2 = 79\n INTEGER, PARAMETER :: XYLRO2 = 80\n INTEGER, PARAMETER :: NAPH = 81\n INTEGER, PARAMETER :: PAHRO2 = 82\n INTEGER, PARAMETER :: CRO = 83\n INTEGER, PARAMETER :: CAT1 = 84\n INTEGER, PARAMETER :: CRON = 85\n INTEGER, PARAMETER :: OPAN = 86\n INTEGER, PARAMETER :: ECH4 = 87\n INTEGER, PARAMETER :: CL2 = 88\n INTEGER, PARAMETER :: CL = 89\n INTEGER, PARAMETER :: HOCL = 90\n INTEGER, PARAMETER :: CLO = 91\n INTEGER, PARAMETER :: FMCL = 92\n INTEGER, PARAMETER :: HCL = 93\n INTEGER, PARAMETER :: CLNO2 = 94\n INTEGER, PARAMETER :: CLNO3 = 95\n INTEGER, PARAMETER :: SVAVB2 = 96\n INTEGER, PARAMETER :: SVAVB3 = 97\n INTEGER, PARAMETER :: SVAVB4 = 98\n INTEGER, PARAMETER :: SVAVB1 = 99\n INTEGER, PARAMETER :: SESQ = 100\n INTEGER, PARAMETER :: SESQRXN = 101\n INTEGER, PARAMETER :: SOAALK = 102\n INTEGER, PARAMETER :: H2NO3PIJ = 103\n INTEGER, PARAMETER :: H2NO3PK = 104\n INTEGER, PARAMETER :: ACLI = 105\n INTEGER, PARAMETER :: ACLJ = 106\n INTEGER, PARAMETER :: ACLK = 107\n INTEGER, PARAMETER :: IEPOXP = 108\n INTEGER, PARAMETER :: ASO4J = 109\n INTEGER, PARAMETER :: AISO3J = 110\n INTEGER, PARAMETER :: AGLYJ = 111\n INTEGER, PARAMETER :: MTNO3 = 112\n INTEGER, PARAMETER :: AMTNO3J = 113\n INTEGER, PARAMETER :: AMTHYDJ = 114\n INTEGER, PARAMETER :: AAVB2J = 115\n INTEGER, PARAMETER :: AOLGAJ = 116\n INTEGER, PARAMETER :: AAVB3J = 117\n INTEGER, PARAMETER :: AAVB4J = 118\n INTEGER, PARAMETER :: AISO1J = 119\n INTEGER, PARAMETER :: AOLGBJ = 120\n INTEGER, PARAMETER :: AISO2J = 121\n INTEGER, PARAMETER :: ASQTJ = 122\n INTEGER, PARAMETER :: APOCI = 123\n INTEGER, PARAMETER :: APNCOMI = 124\n INTEGER, PARAMETER :: APOCJ = 125\n INTEGER, PARAMETER :: APNCOMJ = 126\n INTEGER, PARAMETER :: PCVOC = 127\n INTEGER, PARAMETER :: PCSOARXN = 128\n INTEGER, PARAMETER :: VLVPO1 = 129\n INTEGER, PARAMETER :: VSVPO1 = 130\n INTEGER, PARAMETER :: VSVPO2 = 131\n INTEGER, PARAMETER :: VSVPO3 = 132\n INTEGER, PARAMETER :: VIVPO1 = 133\n INTEGER, PARAMETER :: VLVOO1 = 134\n INTEGER, PARAMETER :: VLVOO2 = 135\n INTEGER, PARAMETER :: VSVOO2 = 136\n INTEGER, PARAMETER :: VSVOO3 = 137\n INTEGER, PARAMETER :: VSVOO1 = 138\n INTEGER, PARAMETER :: FORM_PRIMARY = 139\n INTEGER, PARAMETER :: ALD2_PRIMARY = 140\n INTEGER, PARAMETER :: BUTADIENE13 = 141\n INTEGER, PARAMETER :: ACROLEIN = 142\n INTEGER, PARAMETER :: ACRO_PRIMARY = 143\n INTEGER, PARAMETER :: TOLU = 144\n INTEGER, PARAMETER :: HG = 145\n INTEGER, PARAMETER :: HGIIAER = 146\n INTEGER, PARAMETER :: HGIIGAS = 147\n\n END MODULE HRDATA\n" }, { "path": "CCTM/src/gas/ebi_cb6r3_ae7_aq/hrdriver.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE CHEM( CGRID, JDATE, JTIME, TSTEP )\nC**********************************************************************\nC\nC FUNCTION: Driver subroutine for Euler Backward Iterative solver\nC\nC PRECONDITIONS: For the CB6R3_AE7_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: HRINIT, HRCALCKS, HRSOLVER\nC FIND_DEGRADED, INIT_DEGRADE, FINAL_DEGRADE\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 8, 2022\nC Based on the algorithm in \"Test of Two Numerical\nC Schemes for Use in Atmospheric Transport-Chemistry\nC Models\", O. Hertel, R. Berkowicz, J. Christensen,\nC and O. Hov, Atm Env., Vol. 27A, No. 16, 1993.\nC Original MEBI code developed by Ho-Chun Huang,\nC SUNY, Albany -- \"On the performance of numerical\nC solvers for a chemistry submodel in three-dimensional\nC air quality models 1. Box model simulations\",\nC H. Huang and J.S. Chang, JGR, Vol 106, No. D17, 2001.\nC This version replaces Huang and Chang use of numerical\nC solutions with analytical solutions derived in\nC Hertel et al.\nC 21 Jun 10 J.Young: convert for Namelist redesign\nC 11 May 11 D.Wong: incorporated twoway model implementation\nC 27 Sep 11 B.Hutzell: revised method for defining CALL_DEG variable\nC 18 Jul 14 B.Hutzell: revised: 1) to use the RXNS_DATA and RXNS_FUNCTION\nC modules instead of include files, 2) to enable\nC reactions between species types, 3) to calculate\nC heterogeneous rate constants via AEROSOL_CHEMISTRY\nC module, 4) to replace call to HRCALCKS with\nC subroutine in RXNS_FUNCTION module and 5) to change\nC how degrade routines are used, if present\nC 02 Dec 14 B.Hutzell: 1) added terrestrial data to conduct surface\nC dependent reactions and 2) modified the call CALC_RCONST\nC routine\nC 01 Feb 19 D.Wong: Implemented centralized I/O approach, removed all MY_N\nC clauses\nC**********************************************************************\n\n USE HGRD_DEFN ! horizontal domain specifications\n USE VGRD_DEFN ! vertical layer specifications\n USE CGRID_SPCS ! CGRID mechanism species\n USE UTILIO_DEFN ! IOAPI parameters and functions declarations\n USE RXNS_DATA\n USE AEROSOL_CHEMISTRY\n USE RXNS_FUNCTION\n#ifdef isam\n USE SA_IRR_DEFN\n USE SA_DEFN\n#endif\n USE HRDATA\n USE PHOT_MOD, Only: INIT_PHOT_SHARED, RJ ! photolysis rate, in-line module\n USE PA_DEFN, Only: LIRR ! Process Analysis control and data variable\n USE PA_IRR_CLT\n#ifndef isam\n USE DEGRADE_ROUTINES, ONLY : N_REACT, RXTANT_MAP, DEG_LAY, DEG_COL, DEG_ROW,\n & FIND_DEGRADED, INIT_DEGRADE, FINAL_DEGRADE\n#else\n USE DEGRADE_ROUTINES, ONLY : N_REACT, RXTANT_MAP, SA_DEGRADE_EXTRACT,\n & FIND_DEGRADED, INIT_DEGRADE, FINAL_DEGRADE,\n & SA_DEGRADE_UPLOAD, DEG_LAY, DEG_COL, DEG_ROW\n#endif\n USE CENTRALIZED_IO_MODULE, ONLY : INTERPOLATE_VAR, OCEAN, SZONE\n#ifdef sens\n USE DDM3D_CHEM\n Use DDM3D_DEFN, Only: DATENUM, STARTDATE, IPT, IDATE, HIGH, NP, NPMAX, CKTIME\n#endif\n\n IMPLICIT NONE\n\nC..Includes:\n INCLUDE SUBST_FILES_ID ! CMAQ files\n INCLUDE SUBST_CONST ! CMAQ constants\n\n INCLUDE SUBST_EMISPRM ! Emissions processing control parameters\n\nC..Arguments:\n REAL, POINTER :: CGRID( :,:,:,: ) ! Species concentrations\n INTEGER JDATE ! Current date (YYYYDDD)\n INTEGER JTIME ! Current time (HHMMSS)\n INTEGER TSTEP( 3 ) ! Time step vector (HHMMSS)\n\nC..Parameters:\n REAL( 8 ), PARAMETER :: DCONMIN = 1.0D-30 ! minimum species concentration allowed\n REAL, PARAMETER :: CONCMIN = 1.0E-30 ! minimum species concentration allowed\n REAL, PARAMETER :: MAOMV = 1.0E6 * MWAIR / MWWAT ! Mol Wt of air over Mol Wt of water times 1.0E6\n\nC..External Functions:\n\n\nC..Saved Local Variables:\n\n CHARACTER( 16 ), SAVE :: PNAME = 'HRDRIVER' ! Program name\n\n INTEGER, SAVE :: ISTFL ! Unit no. of iteration stat output file\n LOGICAL, SAVE :: LFIRST = .TRUE. ! Flag for first call to this subroutine\n\n REAL( 8 ), SAVE :: PA2ATM ! Pascal to atm conv fac\n\nC..Scratch Local Variables:\n CHARACTER( 132 ) :: MSG ! Message text\n CHARACTER( 16 ) :: VNAME ! Name of I/O API data variable\n\n INTEGER C, E, L, R, S ! Loop indices\n INTEGER ISP ! array index\n\n INTEGER AVGEBI ! Average no. of EBI iterations\n INTEGER DELT_SEC ! EBI max time step in seconds\n INTEGER ESP ! Loop index for emissions species\n INTEGER ITMSTEP ! Chemistry integration interval (sec)\n INTEGER LEV ! Layer index\n INTEGER MIDDATE ! Date at time step midpoint\n INTEGER MIDTIME ! Time at time step midpoint\n INTEGER NPH ! Index for number of phot. rxns in PHOT\n INTEGER SPC ! Species loop index\n#ifdef hrstats\n INTEGER MNEBI ! Min no. of EBI iterations\n INTEGER MXEBI ! Max no. of EBI iterations\n#endif\n\n LOGICAL LSUNLIGHT ! Flag for sunlight\n\n REAL INV_DENS ! reciprocal of air mass density, m3/Kg\n#ifdef hrstats\n REAL SUMEBI ! Sum of EBI iterations\n#endif\n\n INTERFACE\n SUBROUTINE HRSOLVER( JDATE, JTIME, C, R, L )\n INTEGER, INTENT( IN ) :: JDATE ! Current date (YYYYDDD)\n INTEGER, INTENT( IN ) :: JTIME ! Current time (HHMMSS)\n INTEGER, INTENT( IN ) :: C, R, L ! Cell col, row, lev\n END SUBROUTINE HRSOLVER\n SUBROUTINE HETCHEM_UPDATE_AERO( CGRID )\n REAL, POINTER :: CGRID( :,:,:,: ) ! species concentration in cell\n END SUBROUTINE HETCHEM_UPDATE_AERO\n END INTERFACE\n\nC**********************************************************************\n\n IF( NUMB_MECH_SPC .EQ. 0 ) RETURN\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc On first call, call routines to set-up for EBI solver\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF( LFIRST ) THEN\n\n IF( MECHNAME .NE. 'CB6R3_AE7_AQ' ) THEN\n MSG = 'This version of the EBI solver can only be used with'\n & // ' the CB6R3_AE7_AQ chemical mechanism'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n#ifdef emis_chem\n EMISVD = .FALSE.\n#else\n EMISVD = .TRUE.\n#endif\n\n IF( INDEX( MECHNAME, 'AE' ) .NE. 0 ) THEN\n L_AE_VRSN = .TRUE.\n ELSE\n L_AE_VRSN = .FALSE.\n END IF\n\n IF( INDEX( MECHNAME, 'AQ' ) .NE. 0 ) THEN\n L_AQ_VRSN = .TRUE.\n ELSE\n L_AQ_VRSN = .FALSE.\n END IF\n\n IF( LIRR ) THEN\n CALL_IRR = .TRUE.\n ELSE\n CALL_IRR = .FALSE.\n END IF\n\n MODEL_SPECIES = NSPCSD ! WTH: find number of model species\n\n! Determine whether DEGRADE rountines are needed.\n\n CALL FIND_DEGRADED( JDATE, JTIME, CALL_DEG )\n IF( CALL_DEG )THEN\n WRITE(LOGDEV,*)'TX DEGRADE ROUTINES USED'\n WRITE(LOGDEV,*)'Mechanism contains degraded species'\n#ifdef verbose_gas\n ELSE\n WRITE(LOGDEV,*)'TX DEGRADE ROUTINES OMITTED'\n WRITE(LOGDEV,*)'MECHANISM does not include degraded species'\n#endif\n END IF\n\n CALL HRINIT\n\n ITMSTEP = TIME2SEC( TSTEP( 2 ) )\n CHEMSTEP = REAL( ITMSTEP, 8 ) / 60.0D0\n WRITE( LOGDEV, 92000 ) CHEMSTEP, DELTAT\n\n WRITE( LOGDEV, 92020 )\n DO SPC = 1, NUMB_MECH_SPC\n WRITE( LOGDEV, 92040 ) CHEMISTRY_SPC( SPC ), RTOL( SPC )\n END DO\n\n PA2ATM = REAL( 1.0 / STDATMPA, 8)\n\nc..If emissions processing requested stop\n IF( .NOT. EMISVD ) THEN ! assumes emis processing in gas chem\n\n MSG = 'ERROR: EBI solver not configured to '//\n & 'process emissions in chemistry'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n\n END IF ! End if doing emissions\n\n\n#ifdef hrstats\n ISTFL = JUNIT()\n OPEN( UNIT=ISTFL, FILE='iterstat.dat' )\n WRITE( ISTFL, 94020 )\n#endif\nC Define processor offsets\n\n PECOL_OFFSET = COLSD_PE( 1, MYPE+1 ) - 1\n PEROW_OFFSET = ROWSD_PE( 1, MYPE+1 ) - 1\n\n ALLOCATE( SEAWATER_ZONE( NCOLS, NROWS ) )\n DO R = 1, NROWS\n DO C = 1, NCOLS\n SEAWATER_ZONE( C,R ) = OCEAN( C,R ) + SZONE( C,R )\n END DO\n END DO\n\n ALLOCATE( DENS( NCOLS, NROWS, NLAYS ), PRES( NCOLS, NROWS, NLAYS ),\n & QV ( NCOLS, NROWS, NLAYS ), TA ( NCOLS, NROWS, NLAYS ),\n & SEAICE( NCOLS, NROWS ) )\n\nC..Initialize shared photolysis data\n CALL INIT_PHOT_SHARED()\n\nC..Determine which cells need IRR\n ALLOCATE( LFLAGIRR ( NCOLS, NROWS, NLAYS ) )\n CALL PA_IRR_CKCELLS ( LFLAGIRR )\n\n#ifdef isam\n NUMB_ISAM_CELLS = 1.0D0 / ( NCOLS * NROWS * NLAYS )\n CALL SA_IRR_INIT\n#endif\n\n#ifdef sens\n CALL INIT_DDM3D_CHEM()\n\nC For higher order sensitivities\n IF ( HIGH ) THEN\n DO RXN = 1, NRXNS\n IF( NREACT( RXN ) .EQ. 1 ) THEN\n ORDER1( RXN ) = .TRUE.\n ELSE\n ORDER1( RXN ) = .FALSE.\n END IF\n END DO\n END IF\n#endif\n\n LFIRST = .FALSE.\n\n END IF ! First time\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC Set date and time to center of time step, get necessary physical\nC data\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n MIDDATE = JDATE\n MIDTIME = JTIME\n ITMSTEP = TIME2SEC( TSTEP( 2 ) )\n CHEMSTEP = REAL( ITMSTEP, 8 ) / 60.0D0\n CALL NEXTIME( MIDDATE, MIDTIME, SEC2TIME( ITMSTEP / 2 ) )\n\nC.. Compute number of time step loops and step size for EBI solver\n DELT_SEC = INT( DELTAT * 60.0D0 + 0.1D0 )\n IF( DELT_SEC .GE. ITMSTEP ) THEN\n N_EBI_STEPS = 2\n EBI_TMSTEP = 0.5D0 * CHEMSTEP\n ELSE\n IF( MOD( ITMSTEP, DELT_SEC ) .EQ. 0 ) THEN\n N_EBI_STEPS = ITMSTEP / DELT_SEC\n ELSE\n N_EBI_STEPS = ITMSTEP / DELT_SEC + 1\n END IF\n EBI_TMSTEP = CHEMSTEP / REAL( N_EBI_STEPS, 8 )\n END IF\n\n N_INR_STEPS = 1\n\n\nC.. Get fractional seaice coverage from the METCRO2D file.\n\n CALL INTERPOLATE_VAR ('SEAICE', MIDDATE, MIDTIME, SEAICE)\n\nC.. Get ambient temperature in K\n\n CALL INTERPOLATE_VAR ('TA', MIDDATE, MIDTIME, TA)\n\nC.. Get specific humidity in Kg H2O / Kg air\n CALL INTERPOLATE_VAR ('QV', MIDDATE, MIDTIME, QV)\n\n! Get ambient MASS DENSITY in Kg/m^3\n CALL INTERPOLATE_VAR ('DENS', MIDDATE, MIDTIME, DENS)\n\nC.. Get pressure in Pascals\n CALL INTERPOLATE_VAR ('PRES', MIDDATE, MIDTIME, PRES)\n\nC.. Get Heteorogeneous rates and Update Aerosol Distribution Properties\n CALL HETCHEM_RATES( TA, PRES, QV, CGRID, DENS )\n\n#ifdef sens\n DATENUM = 1 + JDATE - STARTDATE ! Set the date and hour counters used in sensitivity calls\n\nC For reaction rate sensitivities\n DO NP = 1, NPMAX\n IF ( IPT( NP ) .EQ. 5 ) THEN\n CALL CKTIME( JDATE,JTIME,NP,RXNFLAG(NP) ) ! Rxnflag set to true iff ipt=5 and time, date within bounds\n IF ( IDATE( NP, DATENUM ) .NE. 1 ) RXNFLAG( NP ) = .FALSE.\n ELSE\n RXNFLAG( NP ) = .FALSE.\n END IF\n END DO\n\n#endif sens\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Top of loop over cells\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n#ifdef hrstats\n MNEBI = 1000\n MXEBI = 0\n SUMEBI = 0.0\n#endif\n\n NCELL = 1\n\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n\n DEG_LAY = L\n DEG_ROW = R\n DEG_COL = C\n\nc..reset CALL_IRR based on cell's values\n CALL_IRR = LFLAGIRR( C,R,L )\n\nc..Load ICs\n INV_DENS = 1.0 / DENS( C,R,L )\n DO SPC = 1, NUMB_MECH_SPC\n S = CGRID_INDEX( SPC )\n IF( CONVERT_CONC( SPC ) )THEN\n YC( SPC ) = REAL( MAX( CONCMIN,\n & INV_DENS*FORWARD_CONV( SPC )*CGRID( C,R,L,S )), 8 )\n ELSE\n YC( SPC ) = REAL( MAX( CGRID( C,R,L,S ), CONCMIN), 8 )\n END IF\n END DO\n\n IF(CALL_DEG)THEN ! INITIALIZE degradation routines\n\n YCCELL = 0.0D0\n DO S = 1, MODEL_SPECIES\n YCCELL( S ) = REAL( CGRID(C,R,L,S), 8)\n END DO\n CALL INIT_DEGRADE(YCCELL,TA(C,R,L),DENS(C,R,L),PRES(C,R,L),QV(C,R,L),RJIN(NCELL,:),\n & JDATE, JTIME)\n\n#ifdef isam\n CALL SA_DEGRADE_EXTRACT( C,R,L,DENS(C,R,L) )\n#endif\n END IF\n\nc..Set physical quantities\n TEMP( NCELL ) = REAL( TA( C,R,L ), 8)\n DENSITY( NCELL ) = REAL( DENS( C,R,L ), 8)\n! PRESCELL( NCELL ) = REAL( PRES( C,R,L ), 8)\n ATMPRES( NCELL ) = PA2ATM * REAL( PRES( C,R,L ), 8)\n H2O( NCELL ) = REAL( MAX ( MAOMV * QV( C,R,L ), 0.0 ), 8)\n SEAWATER (NCELL) = MAX ( 0.0D0, ( REAL( SEAWATER_ZONE( C,R ) - SEAICE (C,R) ,8) ) )\n\nc..Get rate constants\n LSUNLIGHT = .FALSE.\n FORALL( NPH = 1:NPHOTAB ) RJIN( NCELL,NPH ) = REAL( RJ( C,R,L,NPH ), 8)\n IF( MAXVAL(RJIN) .GT. 0.0D0 ) LSUNLIGHT = .TRUE.\n\n FORALL ( NPH = 1:NHETERO )HET( NCELL,NPH ) = REAL( KHETERO( NPH,C,R,L ), 8)\n\n CALL CALC_RCONST( TEMP, ATMPRES, H2O, RJIN, HET, LSUNLIGHT, SEAWATER, RKI_SAV, NCELL )\n FORALL( NPH = 1:NRXNS )RKI( NPH ) = RKI_SAV( NCELL, NPH )\n\n#ifdef isam\n#if defined(isam) || defined(verbose_isam)\nC...For diagnosing IRR calculations in log files\n IF( CHECK_ISAM )THEN\n WRITE_CELL = .FALSE.\n IF( C .EQ. MAX(1, NCOLS/2) .AND. R .EQ. MAX(1,NROWS/2) .AND. L .EQ. 1 )THEN\n WRITE_CELL = .TRUE.\n WRITE(LOGDEV,*)'WRITE_CELL = .TRUE.'\n ELSE\n WRITE_CELL = .FALSE.\n END IF\n END IF\n#endif\n CALL SA_IRR_EXTRACT( C, R, L, DENS( C,R,L ),YC )\n#endif\n\nc..Call EBI solver\n N_EBI_IT = 0\n\n CALL HRSOLVER( JDATE, JTIME, C, R, L )\n\n#ifdef hrstats\n MXEBI = MAX( MXEBI, N_EBI_IT )\n MNEBI = MIN( MNEBI, N_EBI_IT )\n SUMEBI = SUMEBI + REAL( N_EBI_IT )\n#endif\n\n\nc..Update concentration array\n DO SPC = 1, NUMB_MECH_SPC\n S = CGRID_INDEX( SPC )\n IF( CONVERT_CONC( SPC ) )THEN\n CGRID( C,R,L,S ) = REAL( REVERSE_CONV( SPC ) * DENS( C,R,L )\n & * MAX( YC( SPC ), DCONMIN), 4)\n ELSE\n CGRID( C,R,L,S ) = REAL( MAX( YC( SPC ), DCONMIN), 4)\n END IF\n END DO\n\n IF(CALL_DEG)THEN ! WTH: update based on degrade routines\n CALL FINAL_DEGRADE(YCCELL)\n UPDATE_DEGRADED: DO SPC = 1, N_REACT\n ISP = RXTANT_MAP( SPC )\n IF( ISP .LE. 0 )CYCLE UPDATE_DEGRADED\n DO S = 1, NUMB_MECH_SPC\n IF( CGRID_INDEX( S ) .EQ. ISP )CYCLE UPDATE_DEGRADED\n END DO\n CGRID(C,R,L,ISP) = REAL( YCCELL(ISP), 4)\n END DO UPDATE_DEGRADED\n#ifdef isam\n CALL SA_DEGRADE_UPLOAD( C,R,L,DENS(C,R,L) )\n#endif\n END IF\n\n#ifdef isam\n CALL SA_IRR_UPLOAD( C, R, L, DENS( C,R,L ), YC )\n#endif\n\nc..update irrout arrays if needed\n IF ( LFLAGIRR( C,R,L ) )CALL PA_IRR_CELLENDF( C, R, L )\n#ifdef sens\n DO RXN = 1, NRXNS\n SRK( RXN ) = RKI( RXN )\n IF ( HIGH ) THEN\n IF ( ORDER1 (RXN ) ) THEN\n SRK2( RXN ) = 0.0\n ELSE\n SRK2( RXN ) = RKI( RXN )\n END IF\n END IF\n END DO\n\n\n CALL SOLVE_DDM3D_CHEM( C,R,L,CHEMSTEP )\n#endif\n\n END DO\n END DO\n END DO\n\n! Update Aerosol Surface Area\n CALL HETCHEM_UPDATE_AERO( CGRID )\n\n#ifdef hrstats\n AVGEBI = SUMEBI / REAL( NCOLS * NROWS * NLAYS )\n WRITE( ISTFL, 94040 ) JDATE, JTIME, MNEBI, AVGEBI, MXEBI\n#endif\n\n RETURN\n\nC*********************** FORMAT STATEMENTS ****************************\n\n92000 FORMAT( / 10X, 'Euler Backward Iterative Parameters -'\n & / 10X, 'Chemistry Integration Time Interval (min):', F12.4,\n & / 10X, 'EBI maximum time step (min): ', F12.4 )\n\n92020 FORMAT( //10X, 'Species convergence tolerances:' )\n\n92040 FORMAT( 10X, A16, 2X, 1PE12.2 )\n\n92060 FORMAT( / 10X, 'Emissions Processing in Chemistry ...'\n & / 10X, 'Number of Emissions Layers: ', I3\n & / 10X, 'out of total Number of Model Layers:', I3 )\n\n\n94020 FORMAT( 'DATE TIME ', 'MNEBI AVEBI MXEBI' )\n\n94040 FORMAT( I7, 1X, I6, 1X, 3( I5, 1X ) )\n END\n" }, { "path": "CCTM/src/gas/ebi_cb6r3_ae7_aq/hrg1.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\n SUBROUTINE HRG1( DTC )\n\nC**********************************************************************\nC\nC FUNCTION: To solve for the concentration of NO2, NO, O3, and O3P\nC algebraically.\nC\nC PRECONDITIONS: For the CB6R3_AE7_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 8, 2022\nC\nC 18 Jul 14 B.Hutzell: revised to use real(8) variables\nC 01 Jun 18 B.Hutzell: replaced steady solution for O1D with backward Euler\nC approximation. To match conditions where the initial\nC concentration cannot be neglected.\nC**********************************************************************\n USE HRDATA\n\n IMPLICIT NONE\n\n\nC..INCLUDES: None\n\n\nC..ARGUMENTS:\n REAL( 8 ), INTENT( IN ) :: DTC ! Time step\n\n\nC..PARAMETERS: None\n\n\nC..EXTERNAL FUNCTIONS: NONE\n\n\nC..SAVED LOCAL VARIABLES:\n! CHARACTER( 16 ), SAVE :: PNAME = 'HRG1' ! Prgram Name\n\n\nC..SCRATCH LOCAL VARIABLES:\n REAL( 8 ) :: O1D_S ! sum of O1D loss frequencies\n REAL( 8 ) :: O3P_S ! stoich coeff for O3P from O1D\n\n\n\n REAL( 8 ) :: R1_2 ! production term for NO from NO2\n REAL( 8 ) :: R2_1 ! production term for NO2 from NO\n REAL( 8 ) :: P1, P2, P3, P12 ! production terms for NO, NO2, O3, & O3P\n REAL( 8 ) :: L1, L2, L3, L12 ! loss terms for NO, NO2, O3, O3P\n REAL( 8 ) :: L1_INV, L2_INV,\n & L3_INV, L12_INV ! inverse of loss terms\n\n REAL( 8 ) :: T1, T2, T3, T4, T5 ! intermerdiate terms\n REAL( 8 ) :: F1, F2, F3 ! intermerdiate terms\n REAL( 8 ) :: A, B, C ! coefficients for quadratic equation\n REAL( 8 ) :: Q, XX, S1, S2 ! intermerdiate terms\n\n REAL( 8 ) :: RK1, RK2, RK3 ! rate constants\n\n REAL( 8 ) :: PO3 ! temp variable for O3\n\nC**********************************************************************\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc O1D Section\nc 1) sum of the rate constants for all O1D loss reactions\nc 2) get fractional yield of O3P from O1D loss\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n O1D_S = RKI( 10 ) ! O1D=O\n & + RKI( 11 ) ! O1D=0.2000D+01*OH\n\n O3P_S = RKI( 10 ) ! O1D=O\n\n O3P_S = O3P_S / O1D_S\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc NO Section\nc R1_2 = production of NO from NO2 ( rates of form k[NO2][x] )\nc except NO2+NO3=NO+NO2 (it is treated as if it were NO3=NO )\nc P1 = remaining NO production terms\nc L1 = loss of NO (except rxns producing NO2 - they are in R2_1)\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n R1_2 = RKI( 1 ) ! NO2=NO+O\n & + RKI( 5 ) * YC ( O ) ! NO2+O=NO\n R1_2 = R1_2 * DTC\n\n\n P1 = RXRAT( 28 ) ! NO3=NO\n & + RXRAT( 30 ) ! NO2+NO3=NO+NO2\n & + RXRAT( 42 ) ! HONO+HONO=NO+NO2\n & + RXRAT( 43 ) ! HONO=NO+OH\n P1 = YC0( NO ) + P1 * DTC\n\n\n L1 = RKI( 40 ) * YC ( OH ) ! NO+OH=HONO\n & + RKI( 41 ) * YC ( NO2 ) ! NO+NO2=0.2000D+...\n & + RKI( 83 ) * YC ( XO2N ) ! NO+XO2N=0.5000D+...\n & + 1.0000D-01 * RKI( 151 ) * YC ( ISO2 ) ! NO+ISO2=0.1000D+...\n & + 8.2000D-02 * RKI( 180 ) * YC ( BZO2 ) ! NO+BZO2=0.9180D+...\n & + 1.4000D-01 * RKI( 185 ) * YC ( TO2 ) ! NO+TO2=0.8600D+...\n & + 1.4000D-01 * RKI( 191 ) * YC ( XLO2 ) ! NO+XLO2=0.8600D+...\n L1 = 1.0D0 + L1 * DTC\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc NO2 Section\nc R2_1 = production of NO2 from NO ( rates of form k[NO][x] )\nc a) NO+O3=NO2 not included\nc b) NO+NO3=2NO2 ( 1/2 of NO2 formation rate included )\nc c) NO3+NO2=NO+NO2 is not included for NO2\nc P2 = remaining NO2 production terms \nc a) NO+O3=NO2 not included\nc b) NO+NO3=2NO2 (1/2 of NO2 formation rate included )\nc L2 = loss of NO2 (except rxns producing NO2 - they are in R1_2)\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n R2_1 = RKI( 4 ) * YC ( O ) ! NO+O=NO2\n & + 2.0000D+00 * RKI( 24 ) * YC ( NO ) ! NO+NO=0.2000D+01*NO2\n & + RKI( 25 ) * YC ( HO2 ) ! NO+HO2=NO2+OH\n & + RKI( 29 ) * YC ( NO3 ) ! NO+NO3=0.2000D+...\n & + RKI( 53 ) * YC ( C2O3 ) ! NO+C2O3=NO2+MEO2+RO2\n & + RKI( 61 ) * YC ( CXO3 ) ! NO+CXO3=NO2+ALD2+...\n & + RKI( 71 ) * YC ( MEO2 ) ! NO+MEO2=NO2+HO2+FORM\n & + RKI( 75 ) * YC ( XO2H ) ! NO+XO2H=NO2+HO2\n & + RKI( 79 ) * YC ( XO2 ) ! NO+XO2=NO2\n & + RKI( 103 ) * YC ( HCO3 ) ! NO+HCO3=NO2+FACD+HO2\n & + 9.0000D-01 * RKI( 151 ) * YC ( ISO2 ) ! NO+ISO2=0.9000D+...\n & + RKI( 167 ) * YC ( EPX2 ) ! NO+EPX2=NO2+...\n & + 9.1800D-01 * RKI( 180 ) * YC ( BZO2 ) ! NO+BZO2=0.9180D+...\n & + 8.6000D-01 * RKI( 185 ) * YC ( TO2 ) ! NO+TO2=0.8600D+...\n & + 8.6000D-01 * RKI( 191 ) * YC ( XLO2 ) ! NO+XLO2=0.8600D+...\n & + RKI( 212 ) * YC ( OPO3 ) ! NO+OPO3=NO2+...\n & + RKI( 229 ) * YC ( CLO ) ! NO+CLO=NO2+CL\n R2_1 = R2_1 * DTC\n\n\n P2 = RXRAT( 27 ) ! NO3=NO2+O\n & + RXRAT( 29 ) ! NO+NO3=0.2000D+01*NO2\n & + RXRAT( 31 ) ! NO3+O=NO2\n & + RXRAT( 32 ) ! NO3+OH=NO2+HO2\n & + RXRAT( 33 ) ! NO3+HO2=NO2+OH\n & + RXRAT( 34 ) ! NO3+O3=NO2\n & + 2.0000D+00 * RXRAT( 35 ) ! NO3+NO3=0.2000D+01*NO2\n & + RXRAT( 37 ) ! N2O5=NO2+NO3\n & + RXRAT( 38 ) ! N2O5=NO2+NO3\n & + RXRAT( 42 ) ! HONO+HONO=NO2+NO\n & + RXRAT( 44 ) ! HONO+OH=NO2\n & + RXRAT( 47 ) ! HNO3=NO2+OH\n & + RXRAT( 49 ) ! PNA=NO2+HO2\n & + 5.9000D-01 * RXRAT( 50 ) ! PNA=0.5900D+00*NO2+...\n & + RXRAT( 51 ) ! PNA+OH=NO2\n & + RXRAT( 55 ) ! PAN=NO2+C2O3\n & + 6.0000D-01 * RXRAT( 56 ) ! PAN=0.6000D+00*NO2+...\n & + RXRAT( 63 ) ! PANX=NO2+CXO3\n & + 6.0000D-01 * RXRAT( 64 ) ! PANX=0.6000D+00*NO2+...\n & + RXRAT( 92 ) ! NTR1=NO2\n & + 5.0000D-01 * RXRAT( 140 ) ! ETH+NO3=0.5000D+...\n & + 5.0000D-01 * RXRAT( 144 ) ! OLE+NO3=0.5000D+...\n & + 5.0000D-01 * RXRAT( 148 ) ! IOLE+NO3=0.5000D+...\n & + 3.5000D-01 * RXRAT( 157 ) ! ISOP+NO3=0.3500D+...\n & + 1.4200D-01 * RXRAT( 160 ) ! ISPD+NO3=0.1420D+...\n & + 4.4400D-01 * RXRAT( 170 ) ! INTR+OH=0.4440D+...\n & + 4.7000D-01 * RXRAT( 174 ) ! TERP+NO3=0.4700D+...\n & + 4.7000D-01 * RXRAT( 178 ) ! APIN+NO3=0.4700D+...\n & + 5.0000D-01 * RXRAT( 205 ) ! XOPN+NO3=0.5000D+...\n & + RXRAT( 214 ) ! OPAN=NO2+OPO3\n & + 5.0000D-01 * RXRAT( 218 ) ! OPAN+OH=0.5000D+...\n & + RXRAT( 219 ) ! PANX+OH=NO2+ALD2\n & + RXRAT( 251 ) ! CLNO2=NO2+CL\n & + RXRAT( 253 ) ! CLNO3=NO2+CLO\n P2 = YC0( NO2 ) + P2 * DTC\n\n\n L2 = RKI( 6 ) * YC ( O ) ! NO2+O=NO3\n & + RKI( 26 ) * YC ( O3 ) ! NO2+O3=NO3\n & + RKI( 36 ) * YC ( NO3 ) ! NO2+NO3=N2O5\n & + RKI( 41 ) * YC ( NO ) ! NO2+NO=0.2000D+...\n & + RKI( 45 ) * YC ( OH ) ! NO2+OH=HNO3\n & + RKI( 48 ) * YC ( HO2 ) ! NO2+HO2=PNA\n & + RKI( 54 ) * YC ( C2O3 ) ! NO2+C2O3=PAN\n & + RKI( 62 ) * YC ( CXO3 ) ! NO2+CXO3=PANX\n & + RKI( 135 ) * YC ( ROR ) ! NO2+ROR=NTR1\n & + RKI( 197 ) * YC ( CRO ) ! NO2+CRO=CRON\n & + RKI( 213 ) * YC ( OPO3 ) ! NO2+OPO3=OPAN\n & + RKI( 252 ) * YC ( CLO ) ! NO2+CLO=CLNO3\n & + RKI( 276 ) ! NO2=0.5000D+...\n L2 = 1.0D0 + L2 * DTC\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc O3 Section\nc P3 = production of O3 except O+O2=O3\nc L3 = loss terms for O3 except NO+O3=NO2\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n P3 = 1.5000D-01 * RXRAT( 57 ) ! C2O3+HO2=0.1500D+...\n & + 1.5000D-01 * RXRAT( 65 ) ! CXO3+HO2=0.1500D+...\n & + 1.5000D-01 * RXRAT( 215 ) ! OPO3+HO2=0.1500D+...\n P3 = YC0( O3 ) + P3 * DTC\n\n\n L3 = RKI( 7 ) * YC ( O ) ! O3+O=\n & + RKI( 8 ) ! O3=O\n & + RKI( 9 ) ! O3=O1D\n & + RKI( 12 ) * YC ( OH ) ! O3+OH=HO2\n & + RKI( 13 ) * YC ( HO2 ) ! O3+HO2=OH\n & + RKI( 26 ) * YC ( NO2 ) ! O3+NO2=NO3\n & + RKI( 34 ) * YC ( NO3 ) ! O3+NO3=NO2\n & + RKI( 139 ) * YC ( ETH ) ! O3+ETH=FORM+...\n & + RKI( 143 ) * YC ( OLE ) ! O3+OLE=0.2950D+...\n & + RKI( 147 ) * YC ( IOLE ) ! O3+IOLE=0.7320D+...\n & + RKI( 156 ) * YC ( ISOP ) ! O3+ISOP=0.6000D+...\n & + RKI( 159 ) * YC ( ISPD ) ! O3+ISPD=0.4000D-...\n & + RKI( 173 ) * YC ( TERP ) ! O3+TERP=0.5700D+...\n & + RKI( 177 ) * YC ( APIN ) ! O3+APIN=0.5700D+...\n & + RKI( 204 ) * YC ( XOPN ) ! O3+XOPN=0.1200D+...\n & + RKI( 208 ) * YC ( OPEN ) ! O3+OPEN=0.1400D+...\n & + RKI( 227 ) * YC ( CL ) ! O3+CL=CLO\n & + RKI( 277 ) ! O3=\n L3 = 1.0D0 + L3 * DTC\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc O3P Section \nc P12 = production of O3P except NO2+hv=O3P (J1)\nc L12 = loss terms\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n P12 = RXRAT( 8 ) ! O3=O\n & + O3P_S * RXRAT( 9 ) ! O3=O1D\n & + RXRAT( 16 ) ! OH+OH=O\n & + RXRAT( 27 ) ! NO3=O+NO2\n P12 = YC0( O ) + P12 * DTC\n\n\n L12 = RKI( 2 ) ! O=O3\n & + RKI( 4 ) * YC ( NO ) ! O+NO=NO2\n & + RKI( 5 ) * YC ( NO2 ) ! O+NO2=NO\n & + RKI( 6 ) * YC ( NO2 ) ! O+NO2=NO3\n & + RKI( 7 ) * YC ( O3 ) ! O+O3=\n & + RKI( 14 ) * YC ( OH ) ! O+OH=HO2\n & + RKI( 15 ) * YC ( HO2 ) ! O+HO2=OH\n & + RKI( 23 ) * YC ( H2O2 ) ! O+H2O2=OH+HO2\n & + RKI( 31 ) * YC ( NO3 ) ! O+NO3=NO2\n & + RKI( 99 ) * YC ( FORM ) ! O+FORM=OH+HO2+CO\n & + RKI( 105 ) * YC ( ALD2 ) ! O+ALD2=C2O3+OH\n & + RKI( 109 ) * YC ( ALDX ) ! O+ALDX=CXO3+OH\n & + RKI( 137 ) * YC ( ETH ) ! O+ETH=FORM+HO2+CO+...\n & + RKI( 141 ) * YC ( OLE ) ! O+OLE=0.2000D+00*ALD2+...\n & + RKI( 145 ) * YC ( IOLE ) ! O+IOLE=0.1240D+...\n & + RKI( 150 ) * YC ( ISOP ) ! O+ISOP=0.7500D+...\n & + RKI( 171 ) * YC ( TERP ) ! O+TERP=0.1500D+...\n & + RKI( 175 ) * YC ( APIN ) ! O+APIN=0.1500D+...\n L12 = 1.0D0 + L12 * DTC\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Solution section\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\nc..compute reciprocal of loss terms\n L1_INV = 1.0D0 / L1\n L2_INV = 1.0D0 / L2\n L3_INV = 1.0D0 / L3\n L12_INV = 1.0D0 / L12\n\nc..compute specific k*delta t terms\n RK1 = RKI( 1 ) * DTC ! J1 (NO2+hv=NO+O3P)\n RK2 = RKI( 2 ) * DTC ! J2 (O3P+O2=O3)\n RK3 = RKI( 3 ) * DTC ! k1_3 (NO+O3=NO2)\n\nc..compute terms that are used to calulate a,b & c\n T1 = RK1 * L2_INV ! J1 / ( 1.0 + Lno2 * dt )\n T2 = R1_2 * L2_INV ! r1,2 / ( 1.0 + Lno2 * dt)\n T3 = R2_1 * L1_INV ! r2,1 / ( 1.0 + Lno * dt)\n T4 = RK2 * L12_INV ! J2 / ( 1.0 + Lo3p * dt )\n T5 = T3 * P1 - T2 * P2 ! T3 * Pno - T2 * Pno2\n\n F1 = 1.0D0 + T2 + T3 ! factor in calculating a & b\n F2 = T1 * T4 ! factor in calculating a & b\n F3 = L3 * L1 + RK3 * P1 ! (1 + Lo3 * dt) (1 + lno * dt )\n ! + k1,3 * dt * Pno\n\n PO3 = P3 + P12 * T4\n\n A = RK3 * ( F1 - F2 )\n\n B = F1 * F3 + RK3 * ( F2 * ( P2 - P1 ) + PO3 + T5 )\n\n C = RK3 * P1 * ( PO3 + P2 * F2 ) + F3 * T5\n\n Q = -0.5D0 * ( B + SIGN( 1.0D0, B ) * SQRT( B * B - 4.0D0 * A * C ) )\n\n XX = MAX( Q / A , C / Q )\n\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Species solutions\nc [NO] = ( P1 + x ) / ( 1 + L1 )\nc [NO2] = ( P2 - x ) / ( 1 + L2 )\nc [O3 ] = ( P3 + Ko3p->O3 ) / (1 + K1,3 * [NO] + L3 )\nc [O3P] = ( P12 + J1 * [NO2] ) / ( 1 + L12 )\nc [O1D] = ( yc0(o1d) + Ko3->o1d * [O3] *dtc) / ( 1 + O1D_S*dtc )\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n YCP( NO ) = MAX( 0.0D0, ( P1 + XX ) * L1_INV )\n\n YCP( NO2 ) = MAX( 0.0D0, ( P2 - XX ) * L2_INV )\n\n S1 = P12 + RK1 * YCP( NO2 )\n\n S2 = T4 * S1\n\n YCP( O3 ) = ( P3 + S2 ) / ( L3 + RK3 * YCP( NO ) )\n\n YCP( O ) = S1 * L12_INV\n\n YCP( O1D ) = ( YC0( O1D ) + RKI( 9 ) * YCP( O3 ) * DTC ) \n & / ( 1.0D0 + O1D_S * DTC )\n\n RETURN\n\n END\n\n\n" }, { "path": "CCTM/src/gas/ebi_cb6r3_ae7_aq/hrg2.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\n SUBROUTINE HRG2( DTC )\nC**********************************************************************\nC\nC FUNCTION: To solve for the concentration of HO, HO2, HONO, and\nC HNO4 alebraically.\nC\nC PRECONDITIONS: For the CB6R3_AE7_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 8, 2022\nC\nC 18 Jul 14 B.Hutzell: revised to use real(8) variables\nC**********************************************************************\n USE HRDATA\n\n IMPLICIT NONE\n\n\nC..INCLUDES: None\n\n\nC..ARGUMENTS:\n REAL( 8 ), INTENT( IN ) :: DTC ! Time step\n\nC..PARAMETERS: None\n\n\nC..EXTERNAL FUNCTIONS: NONE\n\n\nC..SAVED LOCAL VARIABLES:\n! CHARACTER( 16 ), SAVE :: PNAME = 'HRG2' ! Program name\n\n\nC..SCRATCH LOCAL VARIABLES:\n REAL( 8 ) :: O1D_S ! sum of O1D loss frequencies\n REAL( 8 ) :: OH_S ! stoich coeff for OH from O1D+H2O or H2\n REAL( 8 ) :: HO2_S ! stoich coeff for HO2 from O1D+H2 rxn\n REAL( 8 ) :: XOH_S ! stoich coeff for OH & HONO from NO2EX loss rxn\n REAL( 8 ) :: R4_19 ! production of OH from HONO\n REAL( 8 ) :: R19_4 ! production of HONO from OH\n REAL( 8 ) :: R4_5 ! production of OH from HO2\n REAL( 8 ) :: R5_4 ! production of HO2 from OH\n REAL( 8 ) :: R5_21 ! production of HO2 from HNO4\n REAL( 8 ) :: R21_5 ! production of HNO4 from HO2\n REAL( 8 ) :: P4, P5, P19, P21 ! species production form other paths\n REAL( 8 ) :: L4, L5, L19, L21 ! species loss terms\n\n REAL( 8 ) :: A, B, C ! coeffs of quadratic eq. for HO2\n REAL( 8 ) :: Q ! intermediate term\n\n REAL( 8 ) :: T1, T2, T3 ! intermediate terms\n\n REAL( 8 ) :: L21_INV ! reciprocal of HNO4 loss term\n\nC**********************************************************************\n\n\nc..stoichiometric coefficient for production of HOX from O3 via O1D\n O1D_S = RKI( 10 ) ! O1D=O\n & + RKI( 11 ) ! O1D=0.2000D+01*OH\n\n OH_S = 2.0000D+00 * RKI( 11 ) ! O1D=0.2000D+01*OH\n\n OH_S = OH_S / O1D_S\n\n\nc..Production of HO from HO2 (r4,5 terms )\n R4_5 = RKI( 13 ) * YC ( O3 ) ! HO2+O3=OH\n & + RKI( 15 ) * YC ( O ) ! HO2+O=OH\n & + RKI( 25 ) * YC ( NO ) ! HO2+NO=OH+NO2\n & + RKI( 33 ) * YC ( NO3 ) ! HO2+NO3=OH+NO2\n & + 4.4000D-01 * RKI( 57 ) * YC ( C2O3 ) ! HO2+C2O3=0.4400D+...\n & + 4.4000D-01 * RKI( 65 ) * YC ( CXO3 ) ! HO2+CXO3=0.4400D+...\n & + 2.0000D-01 * RKI( 104 ) * YC ( HCO3 ) ! HO2+HCO3=0.2000D+...\n & + 1.2000D-01 * RKI( 152 ) * YC ( ISO2 ) ! HO2+ISO2=0.1200D+...\n & + 1.7500D-01 * RKI( 166 ) * YC ( EPX2 ) ! HO2+EPX2=0.1125D+...\n & + 4.4000D-01 * RKI( 215 ) * YC ( OPO3 ) ! HO2+OPO3=0.4400D+...\n\n R4_5 = R4_5 * DTC\n\nc..Production of HO from HONO (r4,19 terms )\n R4_19 = RKI( 43 ) ! HONO=OH+NO\n\n R4_19 = R4_19 * DTC\n\nc..Remaining HO production\n P4 = OH_S * RXRAT( 9 ) ! O1D=0.2000D+01*OH\n & + 2.0000D+00 * RXRAT( 21 ) ! H2O2=0.2000D+01*OH\n & + RXRAT( 23 ) ! H2O2+O=OH+HO2\n & + RXRAT( 47 ) ! HNO3=OH+NO2\n & + 4.1000D-01 * RXRAT( 50 ) ! PNA=0.4100D+00*OH+0.5900D+...\n & + RXRAT( 88 ) ! MEPX=OH+RO2+MEO2\n & + RXRAT( 90 ) ! ROOH=OH+HO2\n & + RXRAT( 99 ) ! FORM+O=OH+HO2+CO\n & + RXRAT( 105 ) ! ALD2+O=OH+C2O3\n & + RXRAT( 109 ) ! ALDX+O=OH+CXO3\n & + 1.9000D-01 * RXRAT( 114 ) ! GLYD=0.1900D+00*OH+0.1400D+...\n & + 3.0000D-01 * RXRAT( 137 ) ! ETH+O=0.3000D+00*OH+HO2+CO+...\n & + 1.6000D-01 * RXRAT( 139 ) ! ETH+O3=0.1600D+00*OH+...\n & + 1.0000D-01 * RXRAT( 141 ) ! OLE+O=0.1000D+00*OH+...\n & + 3.3400D-01 * RXRAT( 143 ) ! OLE+O3=0.3340D+00*OH+...\n & + 5.0000D-01 * RXRAT( 147 ) ! IOLE+O3=0.5000D+00*OH+...\n & + 2.6600D-01 * RXRAT( 156 ) ! ISOP+O3=0.2660D+00*OH+...\n & + 4.6100D-01 * RXRAT( 159 ) ! ISPD+O3=0.4610D+00*OH+...\n & + RXRAT( 163 ) ! HPLD=OH+ISPD\n & + 9.5000D-01 * RXRAT( 166 ) ! HO2+EPX2=0.1125D+01*OH+...\n & + 1.2500D-01 * RXRAT( 167 ) ! EPX2+NO=0.1250D+00*OH+...\n & + 1.0000D-01 * RXRAT( 168 ) ! EPX2+C2O3=0.1000D+00*OH+...\n & + 1.2500D-01 * RXRAT( 169 ) ! EPX2+RO2=0.1250D+00*OH+...\n & + 5.7000D-01 * RXRAT( 173 ) ! TERP+O3=0.5700D+00*OH+...\n & + 5.7000D-01 * RXRAT( 177 ) ! APIN+O3=0.5700D+00*OH+...\n & + 5.0000D-01 * RXRAT( 204 ) ! XOPN+O3=0.5000D+00*OH+...\n & + 5.0000D-01 * RXRAT( 208 ) ! OPEN+O3=0.5000D+00*OH+...\n & + RXRAT( 226 ) ! HOCL=OH+CL\n & + 1.0000D-01 * RXRAT( 248 ) ! CL+TOL=0.1000D+00*OH+...\n & + 2.4400D-01 * RXRAT( 249 ) ! CL+XYLMN=0.2440D+00*OH+...\n & + 2.4400D-01 * RXRAT( 250 ) ! CL+NAPH=0.2440D+00*OH+...\n\n P4 = YC0( OH ) + P4 * DTC\n\nc..Production of HO2 from OH ( r5,4 terms )\n R5_4 = RKI( 12 ) * YC ( O3 ) ! OH+O3=HO2\n & + RKI( 14 ) * YC ( O ) ! OH+O=HO2\n & + RKI( 22 ) * YC ( H2O2 ) ! OH+H2O2=HO2\n & + RKI( 32 ) * YC ( NO3 ) ! OH+NO3=HO2+NO2\n & + RKI( 52 ) * YC ( SO2 ) ! OH+SO2=HO2+SULF+...\n & + RKI( 93 ) * YC ( FACD ) ! OH+FACD=HO2\n & + RKI( 96 ) * YC ( FORM ) ! OH+FORM=HO2+CO\n & + 2.0000D-01 * RKI( 113 ) * YC ( GLYD ) ! OH+GLYD=0.2000D+...\n & + RKI( 116 ) * YC ( GLY ) ! OH+GLY=HO2+...\n & + RKI( 122 ) ! OH=HO2\n & + RKI( 123 ) * YC ( CO ) ! OH+CO=HO2\n & + RKI( 126 ) * YC ( MEOH ) ! OH+MEOH=HO2+FORM\n & + 9.0000D-01 * RKI( 127 ) * YC ( ETOH ) ! OH+ETOH=0.9000D+...\n & + 3.0000D-01 * RKI( 136 ) * YC ( ETHY ) ! OH+ETHY=0.3000D+...\n & + 1.3700D-01 * RKI( 158 ) * YC ( ISPD ) ! OH+ISPD=0.1370D+...\n & + 5.3000D-01 * RKI( 179 ) * YC ( BENZENE ) ! OH+BENZENE=...\n & + 1.8000D-01 * RKI( 184 ) * YC ( TOL ) ! OH+TOL=0.1800D+...\n & + 1.5500D-01 * RKI( 189 ) * YC ( XYLMN ) ! OH+XYLMN=0.1550D+...\n & + 1.5500D-01 * RKI( 190 ) * YC ( NAPH ) ! OH+NAPH=0.1550D+...\n & + RKI( 195 ) * YC ( CRES ) ! OH+CRES=HO2+...\n & + 2.0000D-01 * RKI( 210 ) * YC ( CAT1 ) ! OH+CAT1=0.2000D+...\n\n R5_4 = R5_4 * DTC\n\nc..Production of HO2 from HNO4 (r5,21 term )\n R5_21 = RKI( 49 ) ! PNA=HO2+NO2\n & + 5.9000D-01 * RKI( 50 ) ! PNA=0.5900D+...\n\n R5_21 = R5_21 * DTC\n\nc..Remaining HO2 production terms\n P5 = RXRAT( 23 ) ! H2O2+O=HO2+OH\n & + RXRAT( 71 ) ! MEO2+NO=HO2+FORM+NO2\n & + 9.0000D-01 * RXRAT( 73 ) ! MEO2+C2O3=0.9000D+00*HO2+...\n & + 3.7000D-01 * RXRAT( 74 ) ! MEO2+RO2=0.3700D+00*HO2+...\n & + RXRAT( 75 ) ! XO2H+NO=HO2+NO2\n & + 8.0000D-01 * RXRAT( 77 ) ! XO2H+C2O3=0.8000D+00*HO2+...\n & + 6.0000D-01 * RXRAT( 78 ) ! XO2H+RO2=0.6000D+00*HO2+RO2\n & + 8.0000D-01 * RXRAT( 85 ) ! XO2N+C2O3=0.8000D+00*HO2+...\n & + RXRAT( 90 ) ! ROOH=HO2+OH\n & + 2.0000D+00 * RXRAT( 97 ) ! FORM=0.2000D+01*HO2+CO\n & + RXRAT( 99 ) ! FORM+O=HO2+OH+CO\n & + RXRAT( 100 ) ! FORM+NO3=HO2+HNO3+CO\n & + RXRAT( 102 ) ! HCO3=HO2+FORM\n & + RXRAT( 103 ) ! HCO3+NO=HO2+NO2+FACD\n & + RXRAT( 108 ) ! ALD2=HO2+RO2+CO+MEO2\n & + RXRAT( 112 ) ! ALDX=HO2+XO2H+RO2+CO+ALD2\n & + 1.4000D+00 * RXRAT( 114 ) ! GLYD=0.1400D+01*HO2+...\n & + 2.0000D+00 * RXRAT( 117 ) ! GLY=0.2000D+01*HO2+0.2000D+...\n & + RXRAT( 118 ) ! GLY+NO3=HO2+0.1500D+01*CO+...\n & + RXRAT( 119 ) ! MGLY=HO2+C2O3+CO\n & + RXRAT( 134 ) ! ROR=HO2+KET\n & + RXRAT( 137 ) ! ETH+O=HO2+0.3000D+00*OH+CO+...\n & + 1.6000D-01 * RXRAT( 139 ) ! ETH+O3=0.1600D+00*HO2+...\n & + 1.0000D-01 * RXRAT( 141 ) ! OLE+O=0.1000D+00*HO2+...\n & + 8.0000D-02 * RXRAT( 143 ) ! OLE+O3=0.8000D-01*HO2+...\n & + 2.5000D-01 * RXRAT( 150 ) ! ISOP+O=0.2500D+00*HO2+...\n & + 8.1800D-01 * RXRAT( 151 ) ! ISO2+NO=0.8180D+00*HO2+...\n & + 7.2800D-01 * RXRAT( 153 ) ! ISO2+C2O3=0.7280D+00*HO2+...\n & + 7.2800D-01 * RXRAT( 154 ) ! ISO2+RO2=0.7280D+00*HO2+...\n & + RXRAT( 155 ) ! ISO2=HO2+HPLD\n & + 6.6000D-02 * RXRAT( 156 ) ! ISOP+O3=0.6600D-01*HO2+...\n & + 3.9800D-01 * RXRAT( 159 ) ! ISPD+O3=0.3980D+00*HO2+...\n & + 7.6000D-01 * RXRAT( 161 ) ! ISPD=0.7600D+00*HO2+...\n & + 8.2500D-01 * RXRAT( 167 ) ! EPX2+NO=0.8250D+00*HO2+...\n & + 6.6000D-01 * RXRAT( 168 ) ! EPX2+C2O3=0.6600D+00*HO2+...\n & + 8.2500D-01 * RXRAT( 169 ) ! EPX2+RO2=0.8250D+00*HO2+...\n & + 9.1800D-01 * RXRAT( 180 ) ! BZO2+NO=0.9180D+00*HO2+...\n & + RXRAT( 181 ) ! BZO2+C2O3=HO2+OPEN+GLY+...\n & + RXRAT( 183 ) ! BZO2+RO2=HO2+OPEN+GLY+RO2\n & + 8.6000D-01 * RXRAT( 185 ) ! TO2+NO=0.8600D+00*HO2+...\n & + RXRAT( 186 ) ! TO2+C2O3=HO2+0.5200D+...\n & + RXRAT( 188 ) ! TO2+RO2=HO2+0.5200D+...\n & + 8.6000D-01 * RXRAT( 191 ) ! XLO2+NO=0.8600D+00*HO2+...\n & + RXRAT( 193 ) ! XLO2+C2O3=HO2+0.7700D+...\n & + RXRAT( 194 ) ! XLO2+RO2=HO2+0.7700D+...\n & + RXRAT( 201 ) ! CRON=HO2+HONO+FORM+OPEN\n & + 7.0000D-01 * RXRAT( 202 ) ! XOPN=0.7000D+00*HO2+XO2H+...\n & + RXRAT( 206 ) ! OPEN=HO2+OPO3+CO\n & + 5.6000D-01 * RXRAT( 208 ) ! OPEN+O3=0.5600D+00*HO2+...\n & + 8.0000D-01 * RXRAT( 212 ) ! OPO3+NO=0.8000D+00*HO2+...\n & + RXRAT( 231 ) ! CLO+MEO2=HO2+FORM+CL\n & + RXRAT( 233 ) ! FMCL=HO2+CO+CL\n & + RXRAT( 238 ) ! CL+ETH=HO2+0.2000D+01*XO2+...\n & + RXRAT( 239 ) ! CL+OLE=HO2+0.3300D+00*ALD2+...\n & + RXRAT( 240 ) ! CL+IOLE=HO2+0.7000D+...\n & + RXRAT( 242 ) ! CL+FORM=HO2+HCL+CO\n & + RXRAT( 245 ) ! CL+MEOH=HO2+HCL+FORM\n & + RXRAT( 246 ) ! CL+ETOH=HO2+HCL+ALD2\n & + 1.8000D-01 * RXRAT( 248 ) ! CL+TOL=0.1800D+00*HO2+...\n & + 1.5500D-01 * RXRAT( 249 ) ! CL+XYLMN=0.1550D+00*HO2+...\n & + 1.5500D-01 * RXRAT( 250 ) ! CL+NAPH=0.1550D+00*HO2+...\n\n P5 = YC0( HO2 ) + P5 * DTC\n\nc..Production of HONO from OH (r19,4 terms )\n\n R19_4 = RKI( 40 ) * YC( NO ) * DTC ! OH+NO=HONO\n\nc..Remaining HONO production terms\n P19 = 2.0000D+00 * RXRAT( 41 ) ! NO+NO2=0.2000D+01*HONO\n & + RXRAT( 201 ) ! CRON=HONO+HO2+FORM+OPEN\n & + 5.0000D-01 * RXRAT( 276 ) ! NO2=0.5000D+00*HONO+...\n\n P19 = YC0( HONO ) + P19 * DTC\n\nc..Production of PNA from HO2 (r21,5 term )\n\n R21_5 = RKI( 48 ) * YCP( NO2 ) * DTC ! HO2+NO2=HNO4\n\nc..Remaining PNA production terms\n P21 = YC0( PNA )\n\nc..OH loss terms not in R5_4 & R19_4\n L4 = 2.0000D+00 * RKI( 16 ) * YC ( OH ) ! OH+OH=O\n & + 2.0000D+00 * RKI( 17 ) * YC ( OH ) ! OH+OH=H2O2\n & + RKI( 18 ) * YC ( HO2 ) ! OH+HO2=\n & + RKI( 44 ) * YC ( HONO ) ! OH+HONO=NO2\n & + RKI( 45 ) * YC ( NO2 ) ! OH+NO2=HNO3\n & + RKI( 46 ) * YC ( HNO3 ) ! OH+HNO3=NO3\n & + RKI( 51 ) * YC ( PNA ) ! OH+PNA=NO2\n & + 6.0000D-01 * RKI( 87 ) * YC ( MEPX ) ! OH+MEPX=0.6000D+...\n & + 6.0000D-01 * RKI( 89 ) * YC ( ROOH ) ! OH+ROOH=0.5400D+...\n & + RKI( 91 ) * YC ( NTR1 ) ! OH+NTR1=NTR2\n & + RKI( 94 ) * YC ( AACD ) ! OH+AACD=MEO2+RO2\n & + RKI( 95 ) * YC ( PACD ) ! OH+PACD=C2O3\n & + RKI( 106 ) * YC ( ALD2 ) ! OH+ALD2=C2O3\n & + RKI( 110 ) * YC ( ALDX ) ! OH+ALDX=CXO3\n & + 8.0000D-01 * RKI( 113 ) * YC ( GLYD ) ! OH+GLYD=0.2000D+...\n & + RKI( 121 ) * YC ( MGLY ) ! OH+MGLY=C2O3+CO\n & + RKI( 124 ) ! OH=MEO2+RO2\n & + RKI( 125 ) * YC ( ETHA ) ! OH+ETHA=0.9910D+...\n & + 1.0000D-01 * RKI( 127 ) * YC ( ETOH ) ! OH+ETOH=0.9000D+...\n & + RKI( 130 ) * YC ( ACET ) ! OH+ACET=FORM+...\n & + RKI( 131 ) * YC ( PRPA ) ! OH+PRPA=XPRP\n & + RKI( 132 ) * YC ( PAR ) ! OH+PAR=XPAR\n & + RKI( 138 ) * YC ( ETH ) ! OH+ETH=XO2H+RO2+...\n & + RKI( 142 ) * YC ( OLE ) ! OH+OLE=0.7810D+...\n & + RKI( 146 ) * YC ( IOLE ) ! OH+IOLE=0.1300D+...\n & + RKI( 149 ) * YC ( ISOP ) ! OH+ISOP=ISO2+RO2+...\n & + 8.6300D-01 * RKI( 158 ) * YC ( ISPD ) ! OH+ISPD=0.1370D+...\n & + 6.7000D-02 * RKI( 162 ) * YC ( ISPX ) ! OH+ISPX=0.9040D+...\n & + RKI( 165 ) * YC ( EPOX ) ! OH+EPOX=EPX2+RO2\n & + RKI( 170 ) * YC ( INTR ) ! OH+INTR=0.6300D+...\n & + RKI( 172 ) * YC ( TERP ) ! OH+TERP=0.7500D+...\n & + RKI( 176 ) * YC ( APIN ) ! OH+APIN=0.7500D+...\n & + 3.5200D-01 * RKI( 179 ) * YC ( BENZENE ) ! OH+BENZENE=...\n & + 7.2000D-01 * RKI( 184 ) * YC ( TOL ) ! OH+TOL=0.1800D+...\n & + 6.0100D-01 * RKI( 189 ) * YC ( XYLMN ) ! OH+XYLMN=0.1550D+...\n & + 6.0100D-01 * RKI( 190 ) * YC ( NAPH ) ! OH+NAPH=0.1550D+...\n & + RKI( 199 ) * YC ( CRON ) ! OH+CRON=NTR2+...\n & + RKI( 203 ) * YC ( XOPN ) ! OH+XOPN=MGLY+...\n & + RKI( 207 ) * YC ( OPEN ) ! OH+OPEN=0.6000D+...\n & + 8.0000D-01 * RKI( 210 ) * YC ( CAT1 ) ! OH+CAT1=0.2000D+...\n & + RKI( 218 ) * YC ( OPAN ) ! OH+OPAN=0.5000D+...\n & + RKI( 219 ) * YC ( PANX ) ! OH+PANX=ALD2+NO2\n & + RKI( 220 ) * YC ( ECH4 ) ! OH+ECH4=MEO2+RO2\n & + RKI( 232 ) * YC ( FMCL ) ! OH+FMCL=CL+CO\n & + RKI( 247 ) * YC ( HCL ) ! OH+HCL=CL\n\n L4 = 1.0D0 + L4 * DTC + R5_4 + R19_4\n\nc..HO2 loss terms not included in R4_5 & R21_5 (except for HO2+HO2 )\n L5 = RKI( 18 ) * YC ( OH ) ! HO2+OH=\n & + 5.6000D-01 * RKI( 57 ) * YC ( C2O3 ) ! HO2+C2O3=0.4400D+...\n & + 5.6000D-01 * RKI( 65 ) * YC ( CXO3 ) ! HO2+CXO3=0.4400D+...\n & + RKI( 72 ) * YC ( MEO2 ) ! HO2+MEO2=0.9000D+...\n & + RKI( 76 ) * YC ( XO2H ) ! HO2+XO2H=ROOH\n & + RKI( 80 ) * YC ( XO2 ) ! HO2+XO2=ROOH\n & + RKI( 84 ) * YC ( XO2N ) ! HO2+XO2N=ROOH\n & + RKI( 101 ) * YC ( FORM ) ! HO2+FORM=HCO3\n & + 6.0000D-01 * RKI( 104 ) * YC ( HCO3 ) ! HO2+HCO3=0.2000D+...\n & + 7.6000D-01 * RKI( 152 ) * YC ( ISO2 ) ! HO2+ISO2=0.1200D+...\n & + RKI( 182 ) * YC ( BZO2 ) ! HO2+BZO2=\n & + RKI( 187 ) * YC ( TO2 ) ! HO2+TO2=\n & + RKI( 192 ) * YC ( XLO2 ) ! HO2+XLO2=\n & + RKI( 198 ) * YC ( CRO ) ! HO2+CRO=CRES\n & + 5.6000D-01 * RKI( 215 ) * YC ( OPO3 ) ! HO2+OPO3=0.4400D+...\n & + RKI( 230 ) * YC ( CLO ) ! HO2+CLO=HOCL\n\n L5 = 1.0D0 + L5 * DTC + R4_5 + R21_5\n\nc..HONO loss terms not included in R4_19\n L19 = 2.0000D+00 * RKI( 42 ) * YC ( HONO ) ! HONO+HONO=NO+NO2\n & + RKI( 44 ) * YC ( OH ) ! HONO+OH=NO2\n\n L19 = 1.0D0 + L19 * DTC + R4_19\n\nc..PNA loss terms not included in R5_21\n L21 = 4.1000D-01 * RKI( 50 ) ! PNA=0.5900D+...\n & + RKI( 51 ) * YC ( OH ) ! PNA+OH=NO2\n\n L21 = 1.0D0 + L21 * DTC + R5_21\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Solution section\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\nc..compute terms used to calculate a,b & c\n L21_INV = 1.0D0 / L21\n T1 = 1.0D0 / ( L4 * L19 - R4_19 * R19_4 )\n T2 = R5_4 * T1\n T3 = R5_21 * L21_INV\n\nc..solve quadratic equation for HO2\n A = 2.0D0 * ( RKI( 19 ) + RKI( 20 ) ) * DTC\n\n B = L5 - T3 * R21_5 - T2 * R4_5 * L19\n\n C = P5 + T3 * P21 + T2 * ( P4 * L19 + P19 * R4_19 )\n\n Q = -0.5D0 * ( B + SIGN( 1.0D0, B ) * SQRT( B * B + 4.0D0 * A * C ) )\n\n YCP( HO2 ) = MAX( Q / A , -C / Q )\n\nc..compute remaining species concentrations\n YCP( OH ) = ( ( P4 + R4_5 * YCP( HO2 ) ) * L19 + R4_19 * P19 ) * T1\n\n YCP( PNA ) = ( P21 + R21_5 * YCP( HO2 ) ) * L21_INV\n\n YCP( HONO ) = ( P19 + R19_4 * YCP( OH ) ) / L19\n\n RETURN\n\n END\n\n\n" }, { "path": "CCTM/src/gas/ebi_cb6r3_ae7_aq/hrg3.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE HRG3( DTC )\n\nC**********************************************************************\nC\nC FUNCTION: To solve for the concentration of C2O3 and PAN\nC\nC PRECONDITIONS: For the CB6R3_AE7_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 8, 2022\nC\nC 18 Jul 14 B.Hutzell: revised to use real(8) variables\nC**********************************************************************\n USE HRDATA\n\n IMPLICIT NONE\n\nC..INCLUDES: NONE\n\nC..ARGUMENTS:\n REAL( 8 ), INTENT( IN ) :: DTC ! Time step\n\n\nC..PARAMETERS: NONE\n\n\nC..EXTERNAL FUNCTIONS: NONE\n\n\nC..SAVED LOCAL VARIABLES:\n! CHARACTER( 16 ), SAVE :: PNAME = 'HRG3' ! Program name\n\n\nC..SCRATCH LOCAL VARIABLES:\n REAL( 8 ) :: A, B, C, Q ! Quadratic equation terms\n REAL( 8 ) :: CMN ! Temp scalar\n REAL( 8 ) :: L8 ! Loss of CCO_O2\n REAL( 8 ) :: L9 ! Loss of PAN\n REAL( 8 ) :: P8 ! Production of CCO_O2\n\n REAL( 8 ) :: K8_8 ! Kc2o3+c2o3 * delta t\n REAL( 8 ) :: R8_9 ! Kpan-->c2o3 * delta t\n REAL( 8 ) :: R9_8 ! Kc2o3+no2-->pan * [NO2] * delta t\n\nC**********************************************************************\n\n\nc..Production of C2O3 (except from PAN )\n P8 = RXRAT( 95 ) ! PACD+OH=C2O3\n & + RXRAT( 105 ) ! ALD2+O=C2O3+OH\n & + RXRAT( 106 ) ! ALD2+OH=C2O3\n & + RXRAT( 107 ) ! ALD2+NO3=C2O3+HNO3\n & + 8.0000D-01 * RXRAT( 113 ) ! GLYD+OH=0.8000D+00*C2O3+...\n & + RXRAT( 115 ) ! GLYD+NO3=C2O3+HNO3\n & + RXRAT( 119 ) ! MGLY=C2O3+HO2+CO\n & + RXRAT( 120 ) ! MGLY+NO3=C2O3+HNO3+XO2+RO2\n & + RXRAT( 121 ) ! MGLY+OH=C2O3+CO\n & + 5.0000D-01 * RXRAT( 128 ) ! KET=0.5000D+00*C2O3+...\n & + 6.2000D-01 * RXRAT( 129 ) ! ACET=0.6200D+00*C2O3+...\n & + RXRAT( 130 ) ! ACET+OH=C2O3+FORM+XO2+RO2\n & + 2.6900D-01 * RXRAT( 158 ) ! ISPD+OH=0.2690D+00*C2O3+...\n & + 1.4300D-01 * RXRAT( 159 ) ! ISPD+O3=0.1430D+00*C2O3+...\n & + 2.0800D-01 * RXRAT( 161 ) ! ISPD=0.2080D+00*C2O3+...\n & + 3.0000D-01 * RXRAT( 202 ) ! XOPN=0.3000D+00*C2O3+XO2H+...\n & + 6.0000D-01 * RXRAT( 204 ) ! XOPN+O3=0.6000D+00*C2O3+...\n & + 1.2000D-01 * RXRAT( 208 ) ! OPEN+O3=0.1200D+00*C2O3+...\n & + RXRAT( 243 ) ! CL+ALD2=C2O3+HCL\n\nc..Loss frequency of C2O3 ( not including C2O3 + C2O3 )\n L8 = RKI( 53 ) * YC ( NO ) ! C2O3+NO=NO2+MEO2+RO2\n & + RKI( 54 ) * YC ( NO2 ) ! C2O3+NO2=PAN\n & + RKI( 57 ) * YC ( HO2 ) ! C2O3+HO2=0.4100D+...\n & + RKI( 60 ) * YC ( CXO3 ) ! C2O3+CXO3=MEO2+...\n & + RKI( 73 ) * YC ( MEO2 ) ! C2O3+MEO2=FORM+...\n & + RKI( 77 ) * YC ( XO2H ) ! C2O3+XO2H=...\n & + RKI( 81 ) * YC ( XO2 ) ! C2O3+XO2=0.8000D+...\n & + RKI( 85 ) * YC ( XO2N ) ! C2O3+XO2N=...\n & + RKI( 153 ) * YC ( ISO2 ) ! C2O3+ISO2=...\n & + RKI( 168 ) * YC ( EPX2 ) ! C2O3+EPX2=...\n & + RKI( 181 ) * YC ( BZO2 ) ! C2O3+BZO2=GLY+...\n & + RKI( 186 ) * YC ( TO2 ) ! C2O3+TO2=0.4800D+...\n & + RKI( 193 ) * YC ( XLO2 ) ! C2O3+XLO2=...\n & + RKI( 216 ) * YC ( OPO3 ) ! C2O3+OPO3=MEO2+...\n\nc..Loss frequency of PAN\n L9 = RKI( 55 ) ! PAN=NO2+C2O3\n & + RKI( 56 ) ! PAN=0.6000D+...\n\nc..K8_8, R8_9, and R9_8 terms\n K8_8 = RKI( 59 ) * DTC\n\n R8_9 = ( RKI( 55 )\n & + RKI( 56 ) ) * DTC \n\n R9_8 = ( RKI( 54 ) * YC( NO2 ) ) * DTC \n\nc..Solution of quadratic equation to get C2O3 & PAN\n CMN = 1.0 + L9 * DTC\n A = 2.0D0 * K8_8 * CMN\n B = CMN * ( 1.0D0 + L8 * DTC ) - R8_9 * R9_8\n C = CMN * ( YC0( C2O3 ) + P8 * DTC ) + R8_9 * YC0( PAN )\n\n Q = -0.5D0 * ( B + SIGN( 1.0D0, B ) * SQRT( B * B + 4.0D0 * A * C ) )\n\n YCP( C2O3 ) = MAX( Q / A , -C / Q )\n\n YCP( PAN ) = ( YC0( PAN ) + R9_8 * YCP( C2O3 ) ) / CMN\n\n RETURN\n\n END\n" }, { "path": "CCTM/src/gas/ebi_cb6r3_ae7_aq/hrg4.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE HRG4( DTC )\n\nC**********************************************************************\nC\nC FUNCTION: To solve for the concentration of NO3 and N2O5\nC\nC PRECONDITIONS: For the CB6R3_AE7_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 8, 2022\nC\nC 18 Jul 14 B.Hutzell: revised to use real(8) variables\nC**********************************************************************\n USE HRDATA\n\n IMPLICIT NONE\n\n\nC..INCLUDES: NONE\n\n\nC..ARGUMENTS:\n REAL( 8 ), INTENT( IN ) :: DTC ! Time step\n\n\nC..PARAMETERS: NONE\n\n\nC..EXTERNAL FUNCTIONS: NONE\n\n\nC..SAVED LOCAL VARIABLES:\n! CHARACTER( 16 ), SAVE :: PNAME = 'HRG4' ! Program name\n\n\nC..SCRATCH LOCAL VARIABLES:\n REAL( 8 ) :: A, B, C, Q ! Quadratic equation terms\n REAL( 8 ) :: CMN ! Temp scalar\n REAL( 8 ) :: L15 ! Loss of NO3\n REAL( 8 ) :: L16 ! Loss of N2O5\n REAL( 8 ) :: P15 ! Production of NO3\n REAL( 8 ) :: K15_15 ! Kno3+no3 * delta t\n REAL( 8 ) :: R15_16 ! Kn2o5-->no3 * delta t\n REAL( 8 ) :: R16_15 ! Kno3+no2-->n2o5[NO2] * delta t\n\n\nC**********************************************************************\n\n\nc..Production of NO3 (except from N2O5 )\n P15 = RKI( 6 ) * YCP( O ) * YCP( NO2 ) ! O+NO2=NO3\n & + RKI( 26 ) * YCP( NO2 ) * YCP( O3 ) ! NO2+O3=NO3\n & + RKI( 46 ) * YC ( HNO3 ) * YCP( OH ) ! HNO3+OH=NO3\n & + 4.1000D-01 * RKI( 50 ) * YC ( PNA ) ! PNA=0.4100D+00*NO3+0.5900D+...\n & + 4.0000D-01 * RKI( 56 ) * YC ( PAN ) ! PAN=0.4000D+00*NO3+0.6000D+...\n & + 4.0000D-01 * RKI( 64 ) * YC ( PANX ) ! PANX=0.4000D+00*NO3+...\n & + 1.8500D-01 * RKI( 170 ) * YC ( INTR ) * YCP( OH ) ! INTR+OH=0.1850D+00*NO3+...\n & + RKI( 254 ) * YC ( CLNO3 ) ! CLNO3=NO3+CL\n\nc..Loss frequency of NO3 ( except NO3 + NO3 if present )\n L15 = RKI( 27 ) ! NO3=NO2+O\n & + RKI( 28 ) ! NO3=NO\n & + RKI( 29 ) * YCP( NO ) ! NO3+NO=0.2000D+...\n & + RKI( 30 ) * YCP( NO2 ) ! NO3+NO2=NO+NO2\n & + RKI( 31 ) * YCP( O ) ! NO3+O=NO2\n & + RKI( 32 ) * YCP( OH ) ! NO3+OH=HO2+NO2\n & + RKI( 33 ) * YCP( HO2 ) ! NO3+HO2=OH+NO2\n & + RKI( 34 ) * YCP( O3 ) ! NO3+O3=NO2\n & + RKI( 36 ) * YCP( NO2 ) ! NO3+NO2=N2O5\n & + RKI( 100 ) * YC ( FORM ) ! NO3+FORM=HNO3+HO2+CO\n & + RKI( 107 ) * YC ( ALD2 ) ! NO3+ALD2=C2O3+HNO3\n & + RKI( 111 ) * YC ( ALDX ) ! NO3+ALDX=CXO3+HNO3\n & + RKI( 115 ) * YC ( GLYD ) ! NO3+GLYD=HNO3+C2O3\n & + RKI( 118 ) * YC ( GLY ) ! NO3+GLY=HNO3+...\n & + RKI( 120 ) * YC ( MGLY ) ! NO3+MGLY=HNO3+...\n & + RKI( 140 ) * YC ( ETH ) ! NO3+ETH=0.5000D+...\n & + RKI( 144 ) * YC ( OLE ) ! NO3+OLE=0.5000D+...\n & + RKI( 148 ) * YC ( IOLE ) ! NO3+IOLE=0.5000D+...\n & + RKI( 157 ) * YC ( ISOP ) ! NO3+ISOP=0.3500D+...\n & + RKI( 160 ) * YC ( ISPD ) ! NO3+ISPD=0.7170D+...\n & + RKI( 164 ) * YC ( HPLD ) ! NO3+HPLD=HNO3+ISPD\n & + RKI( 174 ) * YC ( TERP ) ! NO3+TERP=0.4700D+...\n & + RKI( 178 ) * YC ( APIN ) ! NO3+APIN=0.4700D+...\n & + RKI( 196 ) * YC ( CRES ) ! NO3+CRES=0.3000D+...\n & + RKI( 200 ) * YC ( CRON ) ! NO3+CRON=NTR2+...\n & + RKI( 205 ) * YC ( XOPN ) ! NO3+XOPN=0.5000D+...\n & + RKI( 209 ) * YC ( OPEN ) ! NO3+OPEN=OPO3+HNO3\n & + RKI( 211 ) * YC ( CAT1 ) ! NO3+CAT1=CRO+HNO3\n\nc..Loss frequency of N2O5\n L16 = RKI( 37 ) ! N2O5=NO3+NO2\n & + RKI( 38 ) ! N2O5=NO2+NO3\n & + RKI( 39 ) ! N2O5=0.2000D+01*HNO3\n & + RKI( 269 ) ! N2O5=HNO3+H2NO3PIJ\n & + RKI( 270 ) ! N2O5=HNO3+H2NO3PK\n\nc..K15_15, R15_16, and R16_15 terms\n K15_15 = RKI( 35 ) * DTC\n\n R15_16 = ( RKI( 37 )\n & + RKI( 38 ) ) * DTC \n\n\n R16_15 = RKI( 36 ) * YCP( NO2 ) * DTC\n\nc..Solution of quadratic equation to get NO3 & N2O5\n CMN = 1.0D0 + L16 * DTC\n A = 2.0D0 * K15_15 * CMN\n B = CMN * ( 1.0D0 + L15 * DTC ) - R15_16 * R16_15\n C = CMN * ( YC0( NO3 ) + P15 * DTC ) + R15_16 * YC0( N2O5 )\n\n Q = -0.5D0 * ( B + SIGN( 1.0D0, B ) * SQRT( B * B + 4.0D0 * A * C ) )\n YCP( NO3 ) = MAX( Q / A , -C / Q )\n YCP( N2O5 ) = ( YC0( N2O5 ) + R16_15 * YCP( NO3 ) ) / CMN\n\n RETURN\n\n END\n" }, { "path": "CCTM/src/gas/ebi_cb6r3_ae7_aq/hrinit.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\n SUBROUTINE HRINIT\nC***********************************************************************\nC\nC FUNCTION: To initialize species tolerances, arrays, and indices\nC\nC PRECONDITIONS: For the CB6R3_AE7_AQ mechanism\nC\nC RETURN VALUES: None\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 8, 2022\nC 21 Jun 10 J.Young: convert for Namelist redesign\nC 18 Jul 14 B.Hutzell: revised to use the RXNS_DATA and RXNS_FUNCTION\nC modules instead of include files\nC***********************************************************************\n\n USE UTILIO_DEFN\n USE HRDATA\n USE RXNS_DATA\n USE RXNS_FUNCTION\n\n IMPLICIT NONE\n\nC.....INCLUDES:\n Include SUBST_CONST ! common constants\n\nC.....ARGUMENTS: NONE\n\nC.....PARAMETERS: NONE\n\n\nC.....SAVED VARIABLES:\n CHARACTER( 16 ), SAVE :: PNAME = 'HRINIT' ! Program name\n\n\nC.....LOCAL VARIABLES:\n CHARACTER( 132 ) :: MSG ! Log message\n\n INTEGER N ! Loop index\n INTEGER IOS ! Allocate error status\n\nC***********************************************************************\n\n N_SPEC = NUMB_MECH_SPC\n N_RXNS = NRXNS\n N_SPCL_RKS = 0\n ALLOCATE( RKI( NRXNS ),\n & RKI_SAV( MAX_CELLS_EBI, NRXNS ),\n & FORWARD_CONV( NUMB_MECH_SPC),\n & REVERSE_CONV( NUMB_MECH_SPC),\n & RXRAT( NRXNS ),\n & RTOL( NUMB_MECH_SPC),\n & YC( NUMB_MECH_SPC),\n & YC0( NUMB_MECH_SPC),\n & YCP( NUMB_MECH_SPC),\n & PROD( NUMB_MECH_SPC),\n & LOSS( NUMB_MECH_SPC),\n & PNEG( N_SPEC),\n & STAT = IOS )\n\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating RKI, RXRAT, RTOL, YC, YC0, YCP, FORWARD_CONV, '\n & // 'REVERSE_CONV, PROD, LOSS, or PNEG'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n ALLOCATE( ATMPRES( MAX_CELLS_EBI ),\n & H2O ( MAX_CELLS_EBI ),\n & TEMP ( MAX_CELLS_EBI ),\n & DENSITY( MAX_CELLS_EBI ),\n & HET ( MAX_CELLS_EBI, NHETERO ),\n & RJIN ( MAX_CELLS_EBI, NPHOTAB ),\n & SEAWATER ( MAX_CELLS_EBI ) ,\n & STAT = IOS )\n\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating ATMPRES, H2O, TEMP, HET, RJIN, SEAWATER '\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n IF( NSPECIAL .GT. 0 )THEN\n ALLOCATE( SYC( MAX_CELLS_EBI, NUMB_MECH_SPC ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating SYC'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n ALLOCATE( IOLD2NEW( NUMB_MECH_SPC, 1 ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating IOLD2NEW'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n DO N = 1, NUMB_MECH_SPC\n IOLD2NEW( N, 1 ) = N\n END DO\n END IF\n\n IF( .NOT. MAP_CHEMISTRY_SPECIES() )THEN\n MSG = 'Detected above error(s) when mapping Chemistry species from CGRID species'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n\n DO N = 1, NUMB_MECH_SPC\n FORWARD_CONV( N ) = 1.0E-3 * MWAIR / SPECIES_MOLWT( N )\n REVERSE_CONV( N ) = 1.0E+3 / MWAIR * SPECIES_MOLWT( N )\n END DO\n\n! initialize all reaction rates to zero so unused array elements are defined\n\n RXRAT = 0.0D0\n\n! initialize all production and loss rates to zero so unused array elements are defined\n\n PROD = 0.0D0\n LOSS = 0.0D0\n\n NING1 = 4\n NING2 = 4\n\n ALLOCATE( YCCELL( MODEL_SPECIES), STAT = IOS ) ! array for degradation routines\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating YCCELL '\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n\nc..Allocate and define ebi species\n\n N_EBISP = 134\n ALLOCATE( EBISP( N_EBISP ), STAT = IOS ) \n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating EBISP' \n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n EBISP( 1 ) = H2O2\n EBISP( 2 ) = HNO3\n EBISP( 3 ) = SO2\n EBISP( 4 ) = SULF\n EBISP( 5 ) = SULRXN\n EBISP( 6 ) = MEO2\n EBISP( 7 ) = RO2\n EBISP( 8 ) = PACD\n EBISP( 9 ) = AACD\n EBISP( 10 ) = CXO3\n EBISP( 11 ) = ALD2\n EBISP( 12 ) = XO2H\n EBISP( 13 ) = PANX\n EBISP( 14 ) = FORM\n EBISP( 15 ) = MEPX\n EBISP( 16 ) = MEOH\n EBISP( 17 ) = ROOH\n EBISP( 18 ) = XO2\n EBISP( 19 ) = XO2N\n EBISP( 20 ) = NTR1\n EBISP( 21 ) = NTR2\n EBISP( 22 ) = FACD\n EBISP( 23 ) = CO\n EBISP( 24 ) = HCO3\n EBISP( 25 ) = ALDX\n EBISP( 26 ) = GLYD\n EBISP( 27 ) = GLY\n EBISP( 28 ) = MGLY\n EBISP( 29 ) = ETHA\n EBISP( 30 ) = ETOH\n EBISP( 31 ) = KET\n EBISP( 32 ) = PAR\n EBISP( 33 ) = ACET\n EBISP( 34 ) = PRPA\n EBISP( 35 ) = XPRP\n EBISP( 36 ) = XPAR\n EBISP( 37 ) = ROR\n EBISP( 38 ) = ETHY\n EBISP( 39 ) = ETH\n EBISP( 40 ) = OLE\n EBISP( 41 ) = IOLE\n EBISP( 42 ) = ISOP\n EBISP( 43 ) = ISO2\n EBISP( 44 ) = ISOPRXN\n EBISP( 45 ) = ISPD\n EBISP( 46 ) = INTR\n EBISP( 47 ) = ISPX\n EBISP( 48 ) = HPLD\n EBISP( 49 ) = OPO3\n EBISP( 50 ) = EPOX\n EBISP( 51 ) = EPX2\n EBISP( 52 ) = TERP\n EBISP( 53 ) = TRPRXN\n EBISP( 54 ) = TERPNRO2\n EBISP( 55 ) = APIN\n EBISP( 56 ) = BENZENE\n EBISP( 57 ) = CRES\n EBISP( 58 ) = BZO2\n EBISP( 59 ) = OPEN\n EBISP( 60 ) = BENZRO2\n EBISP( 61 ) = TOL\n EBISP( 62 ) = TO2\n EBISP( 63 ) = TOLRO2\n EBISP( 64 ) = XOPN\n EBISP( 65 ) = XYLMN\n EBISP( 66 ) = XLO2\n EBISP( 67 ) = XYLRO2\n EBISP( 68 ) = NAPH\n EBISP( 69 ) = PAHRO2\n EBISP( 70 ) = CRO\n EBISP( 71 ) = CAT1\n EBISP( 72 ) = CRON\n EBISP( 73 ) = OPAN\n EBISP( 74 ) = ECH4\n EBISP( 75 ) = CL2\n EBISP( 76 ) = CL\n EBISP( 77 ) = HOCL\n EBISP( 78 ) = CLO\n EBISP( 79 ) = FMCL\n EBISP( 80 ) = HCL\n EBISP( 81 ) = CLNO2\n EBISP( 82 ) = CLNO3\n EBISP( 83 ) = SVAVB2\n EBISP( 84 ) = SVAVB3\n EBISP( 85 ) = SVAVB4\n EBISP( 86 ) = SVAVB1\n EBISP( 87 ) = SESQ\n EBISP( 88 ) = SESQRXN\n EBISP( 89 ) = SOAALK\n EBISP( 90 ) = H2NO3PIJ\n EBISP( 91 ) = H2NO3PK\n EBISP( 92 ) = ACLI\n EBISP( 93 ) = ACLJ\n EBISP( 94 ) = ACLK\n EBISP( 95 ) = IEPOXP\n EBISP( 96 ) = ASO4J\n EBISP( 97 ) = AISO3J\n EBISP( 98 ) = AGLYJ\n EBISP( 99 ) = MTNO3\n EBISP( 100 ) = AMTNO3J\n EBISP( 101 ) = AMTHYDJ\n EBISP( 102 ) = AAVB2J\n EBISP( 103 ) = AOLGAJ\n EBISP( 104 ) = AAVB3J\n EBISP( 105 ) = AAVB4J\n EBISP( 106 ) = AISO1J\n EBISP( 107 ) = AOLGBJ\n EBISP( 108 ) = AISO2J\n EBISP( 109 ) = ASQTJ\n EBISP( 110 ) = APOCI\n EBISP( 111 ) = APNCOMI\n EBISP( 112 ) = APOCJ\n EBISP( 113 ) = APNCOMJ\n EBISP( 114 ) = PCVOC\n EBISP( 115 ) = PCSOARXN\n EBISP( 116 ) = VLVPO1\n EBISP( 117 ) = VSVPO1\n EBISP( 118 ) = VSVPO2\n EBISP( 119 ) = VSVPO3\n EBISP( 120 ) = VIVPO1\n EBISP( 121 ) = VLVOO1\n EBISP( 122 ) = VLVOO2\n EBISP( 123 ) = VSVOO2\n EBISP( 124 ) = VSVOO3\n EBISP( 125 ) = VSVOO1\n EBISP( 126 ) = FORM_PRIMARY\n EBISP( 127 ) = ALD2_PRIMARY\n EBISP( 128 ) = BUTADIENE13\n EBISP( 129 ) = ACROLEIN\n EBISP( 130 ) = ACRO_PRIMARY\n EBISP( 131 ) = TOLU\n EBISP( 132 ) = HG\n EBISP( 133 ) = HGIIAER\n EBISP( 134 ) = HGIIGAS\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Set species tolerances\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n RTOL( NO2 ) = 5.0D-04\n RTOL( NO ) = 5.0D-04\n RTOL( O ) = 1.0D+00\n RTOL( O3 ) = 5.0D-04\n RTOL( NO3 ) = 5.0D-04\n RTOL( O1D ) = 1.0D+00\n RTOL( OH ) = 5.0D-04\n RTOL( HO2 ) = 5.0D-04\n RTOL( H2O2 ) = 5.0D-04\n RTOL( N2O5 ) = 5.0D-04\n RTOL( HNO3 ) = 5.0D-04\n RTOL( HONO ) = 5.0D-04\n RTOL( PNA ) = 5.0D-04\n RTOL( SO2 ) = 5.0D-04\n RTOL( SULF ) = 1.0D+00\n RTOL( SULRXN ) = 1.0D+00\n RTOL( C2O3 ) = 5.0D-04\n RTOL( MEO2 ) = 5.0D-04\n RTOL( RO2 ) = 5.0D-04\n RTOL( PAN ) = 5.0D-04\n RTOL( PACD ) = 5.0D-04\n RTOL( AACD ) = 5.0D-04\n RTOL( CXO3 ) = 5.0D-04\n RTOL( ALD2 ) = 5.0D-04\n RTOL( XO2H ) = 5.0D-04\n RTOL( PANX ) = 5.0D-04\n RTOL( FORM ) = 5.0D-04\n RTOL( MEPX ) = 5.0D-04\n RTOL( MEOH ) = 5.0D-04\n RTOL( ROOH ) = 5.0D-04\n RTOL( XO2 ) = 5.0D-04\n RTOL( XO2N ) = 5.0D-04\n RTOL( NTR1 ) = 5.0D-04\n RTOL( NTR2 ) = 5.0D-04\n RTOL( FACD ) = 5.0D-04\n RTOL( CO ) = 5.0D-04\n RTOL( HCO3 ) = 1.0D+00\n RTOL( ALDX ) = 5.0D-04\n RTOL( GLYD ) = 5.0D-04\n RTOL( GLY ) = 5.0D-04\n RTOL( MGLY ) = 5.0D-04\n RTOL( ETHA ) = 5.0D-04\n RTOL( ETOH ) = 5.0D-04\n RTOL( KET ) = 5.0D-04\n RTOL( PAR ) = 5.0D-04\n RTOL( ACET ) = 5.0D-04\n RTOL( PRPA ) = 5.0D-04\n RTOL( XPRP ) = 5.0D-04\n RTOL( XPAR ) = 5.0D-04\n RTOL( ROR ) = 5.0D-04\n RTOL( ETHY ) = 5.0D-04\n RTOL( ETH ) = 5.0D-04\n RTOL( OLE ) = 5.0D-04\n RTOL( IOLE ) = 5.0D-04\n RTOL( ISOP ) = 5.0D-04\n RTOL( ISO2 ) = 5.0D-04\n RTOL( ISOPRXN ) = 1.0D+00\n RTOL( ISPD ) = 5.0D-04\n RTOL( INTR ) = 5.0D-04\n RTOL( ISPX ) = 5.0D-04\n RTOL( HPLD ) = 5.0D-04\n RTOL( OPO3 ) = 5.0D-04\n RTOL( EPOX ) = 5.0D-04\n RTOL( EPX2 ) = 5.0D-04\n RTOL( TERP ) = 5.0D-04\n RTOL( TRPRXN ) = 1.0D+00\n RTOL( TERPNRO2 ) = 5.0D-04\n RTOL( APIN ) = 5.0D-04\n RTOL( BENZENE ) = 5.0D-04\n RTOL( CRES ) = 5.0D-04\n RTOL( BZO2 ) = 5.0D-04\n RTOL( OPEN ) = 5.0D-04\n RTOL( BENZRO2 ) = 5.0D-04\n RTOL( TOL ) = 5.0D-04\n RTOL( TO2 ) = 5.0D-04\n RTOL( TOLRO2 ) = 5.0D-04\n RTOL( XOPN ) = 5.0D-04\n RTOL( XYLMN ) = 5.0D-04\n RTOL( XLO2 ) = 5.0D-04\n RTOL( XYLRO2 ) = 5.0D-04\n RTOL( NAPH ) = 5.0D-04\n RTOL( PAHRO2 ) = 1.0D+00\n RTOL( CRO ) = 5.0D-04\n RTOL( CAT1 ) = 5.0D-04\n RTOL( CRON ) = 5.0D-04\n RTOL( OPAN ) = 5.0D-04\n RTOL( ECH4 ) = 5.0D-04\n RTOL( CL2 ) = 5.0D-04\n RTOL( CL ) = 5.0D-04\n RTOL( HOCL ) = 5.0D-04\n RTOL( CLO ) = 5.0D-04\n RTOL( FMCL ) = 5.0D-04\n RTOL( HCL ) = 5.0D-04\n RTOL( CLNO2 ) = 5.0D-04\n RTOL( CLNO3 ) = 5.0D-04\n RTOL( SVAVB2 ) = 5.0D-04\n RTOL( SVAVB3 ) = 5.0D-04\n RTOL( SVAVB4 ) = 5.0D-04\n RTOL( SVAVB1 ) = 5.0D-04\n RTOL( SESQ ) = 5.0D-04\n RTOL( SESQRXN ) = 1.0D+00\n RTOL( SOAALK ) = 5.0D-04\n RTOL( H2NO3PIJ ) = 5.0D-04\n RTOL( H2NO3PK ) = 5.0D-04\n RTOL( ACLI ) = 5.0D-04\n RTOL( ACLJ ) = 5.0D-04\n RTOL( ACLK ) = 5.0D-04\n RTOL( IEPOXP ) = 5.0D-04\n RTOL( ASO4J ) = 5.0D-04\n RTOL( AISO3J ) = 5.0D-04\n RTOL( AGLYJ ) = 5.0D-04\n RTOL( MTNO3 ) = 5.0D-04\n RTOL( AMTNO3J ) = 5.0D-04\n RTOL( AMTHYDJ ) = 5.0D-04\n RTOL( AAVB2J ) = 5.0D-04\n RTOL( AOLGAJ ) = 5.0D-04\n RTOL( AAVB3J ) = 5.0D-04\n RTOL( AAVB4J ) = 5.0D-04\n RTOL( AISO1J ) = 5.0D-04\n RTOL( AOLGBJ ) = 5.0D-04\n RTOL( AISO2J ) = 5.0D-04\n RTOL( ASQTJ ) = 5.0D-04\n RTOL( APOCI ) = 5.0D-04\n RTOL( APNCOMI ) = 5.0D-04\n RTOL( APOCJ ) = 5.0D-04\n RTOL( APNCOMJ ) = 5.0D-04\n RTOL( PCVOC ) = 5.0D-04\n RTOL( PCSOARXN ) = 5.0D-04\n RTOL( VLVPO1 ) = 5.0D-04\n RTOL( VSVPO1 ) = 5.0D-04\n RTOL( VSVPO2 ) = 5.0D-04\n RTOL( VSVPO3 ) = 5.0D-04\n RTOL( VIVPO1 ) = 5.0D-04\n RTOL( VLVOO1 ) = 5.0D-04\n RTOL( VLVOO2 ) = 5.0D-04\n RTOL( VSVOO2 ) = 5.0D-04\n RTOL( VSVOO3 ) = 5.0D-04\n RTOL( VSVOO1 ) = 5.0D-04\n RTOL( FORM_PRIMARY ) = 5.0D-04\n RTOL( ALD2_PRIMARY ) = 5.0D-04\n RTOL( BUTADIENE13 ) = 5.0D-04\n RTOL( ACROLEIN ) = 5.0D-04\n RTOL( ACRO_PRIMARY ) = 5.0D-04\n RTOL( TOLU ) = 5.0D-04\n RTOL( HG ) = 5.0D-04\n RTOL( HGIIAER ) = 5.0D-04\n RTOL( HGIIGAS ) = 5.0D-04\n\n\n RETURN\n\n END\n" }, { "path": "CCTM/src/gas/ebi_cb6r3_ae7_aq/hrprodloss.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE HRPRODLOSS\n\nC***********************************************************************\nC\nC FUNCTION: To compute the production and loss rates for EBI species\nC\nC PRECONDITIONS: For the CB6R3_AE7_AQ mechanism\nC\nC RETURN VALUES: None\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 8, 2022\nC\nC 18 Jul 14 B.Hutzell: revised to use real(8) variables\n\nC***********************************************************************\n USE HRDATA\n\n IMPLICIT NONE\n\n\nC.....INCLUDES: NONE\n\n\nC.....ARGUMENTS: NONE\n\n\nC.....PARAMETERS: NONE\n\n\nC.....EXTERNAL FUNCTIONS: NONE\n\n\nC.....SAVED VARIABLES: NONE\n! CHARACTER( 16 ), SAVE :: PNAME = 'HRPRODLOSS' ! Program name\n\n\nC.....LOCAL VARIABLES:\n\n\nC***********************************************************************\n\n\n PROD( H2O2 ) = RXRAT( 17 ) ! OH+OH=H2O2\n & + RXRAT( 19 ) ! HO2+HO2=H2O2\n & + RXRAT( 20 ) ! HO2+HO2=H2O2\n & + 4.0000D-02 * RXRAT( 143 ) ! OLE+O3=0.4000D-01*H2O2+...\n & + 8.0000D-02 * RXRAT( 147 ) ! IOLE+O3=0.8000D-01*H2O2+...\n LOSS( H2O2 ) = RXRAT( 21 ) ! H2O2=0.2000D+01*OH\n & + RXRAT( 22 ) ! H2O2+OH=HO2\n & + RXRAT( 23 ) ! H2O2+O=OH+HO2\n\n PROD( HNO3 ) = 2.0000D+00 * RXRAT( 39 ) ! N2O5=0.2000D+01*HNO3\n & + RXRAT( 45 ) ! NO2+OH=HNO3\n & + RXRAT( 100 ) ! FORM+NO3=HNO3+HO2+CO\n & + RXRAT( 107 ) ! ALD2+NO3=HNO3+C2O3\n & + RXRAT( 111 ) ! ALDX+NO3=HNO3+CXO3\n & + RXRAT( 115 ) ! GLYD+NO3=HNO3+C2O3\n & + RXRAT( 118 ) ! GLY+NO3=HNO3+0.1500D+01*CO+...\n & + RXRAT( 120 ) ! MGLY+NO3=HNO3+C2O3+XO2+RO2\n & + 7.1700D-01 * RXRAT( 160 ) ! ISPD+NO3=0.7170D+00*HNO3+...\n & + RXRAT( 164 ) ! HPLD+NO3=HNO3+ISPD\n & + RXRAT( 196 ) ! CRES+NO3=HNO3+0.3000D+...\n & + RXRAT( 200 ) ! CRON+NO3=HNO3+0.5000D+...\n & + RXRAT( 209 ) ! OPEN+NO3=HNO3+OPO3\n & + RXRAT( 211 ) ! CAT1+NO3=HNO3+CRO\n & + RXRAT( 255 ) ! CLNO3=HNO3+HOCL\n & + RXRAT( 268 ) ! NTR2=HNO3\n & + RXRAT( 269 ) ! N2O5=HNO3+H2NO3PIJ\n & + RXRAT( 270 ) ! N2O5=HNO3+H2NO3PK\n & + RXRAT( 271 ) ! H2NO3PIJ=HNO3\n & + RXRAT( 272 ) ! H2NO3PK=HNO3\n & + 5.0000D-01 * RXRAT( 276 ) ! NO2=0.5000D+00*HNO3+...\n LOSS( HNO3 ) = RXRAT( 46 ) ! HNO3+OH=NO3\n & + RXRAT( 47 ) ! HNO3=OH+NO2\n\n PROD( SO2 ) = 0.0D0\n LOSS( SO2 ) = RXRAT( 52 ) ! SO2+OH=SULF+HO2+SULRXN\n\n PROD( SULF ) = RXRAT( 52 ) ! SO2+OH=SULF+HO2+SULRXN\n LOSS( SULF ) = 0.0D0\n\n PROD( SULRXN ) = RXRAT( 52 ) ! SO2+OH=SULRXN+HO2+SULF\n LOSS( SULRXN ) = 0.0D0\n\n PROD( MEO2 ) = RXRAT( 53 ) ! C2O3+NO=MEO2+NO2+RO2\n & + 4.0000D-01 * RXRAT( 56 ) ! PAN=0.4000D+00*MEO2+...\n & + 4.4000D-01 * RXRAT( 57 ) ! C2O3+HO2=0.4400D+00*MEO2+...\n & + 2.0000D+00 * RXRAT( 59 ) ! C2O3+C2O3=0.2000D+01*MEO2+...\n & + RXRAT( 60 ) ! C2O3+CXO3=MEO2+ALD2+XO2H+...\n & + 8.0000D-01 * RXRAT( 77 ) ! XO2H+C2O3=0.8000D+00*MEO2+...\n & + 8.0000D-01 * RXRAT( 81 ) ! XO2+C2O3=0.8000D+00*MEO2+...\n & + 8.0000D-01 * RXRAT( 85 ) ! XO2N+C2O3=0.8000D+00*MEO2+...\n & + 6.0000D-01 * RXRAT( 87 ) ! MEPX+OH=0.6000D+00*MEO2+...\n & + RXRAT( 88 ) ! MEPX=MEO2+RO2+OH\n & + RXRAT( 94 ) ! AACD+OH=MEO2+RO2\n & + RXRAT( 108 ) ! ALD2=MEO2+RO2+CO+HO2\n & + RXRAT( 124 ) ! OH=MEO2+RO2\n & + 5.0000D-01 * RXRAT( 128 ) ! KET=0.5000D+00*MEO2+...\n & + 1.3800D+00 * RXRAT( 129 ) ! ACET=0.1380D+01*MEO2+...\n & + 8.0000D-01 * RXRAT( 153 ) ! ISO2+C2O3=0.8000D+00*MEO2+...\n & + 1.1500D-01 * RXRAT( 158 ) ! ISPD+OH=0.1150D+00*MEO2+...\n & + 3.4000D-01 * RXRAT( 161 ) ! ISPD=0.3400D+00*MEO2+...\n & + 8.0000D-01 * RXRAT( 168 ) ! EPX2+C2O3=0.8000D+00*MEO2+...\n & + RXRAT( 181 ) ! BZO2+C2O3=MEO2+OPEN+HO2+...\n & + RXRAT( 186 ) ! TO2+C2O3=MEO2+0.5200D+...\n & + RXRAT( 193 ) ! XLO2+C2O3=MEO2+0.7700D+...\n & + RXRAT( 216 ) ! OPO3+C2O3=MEO2+XO2+ALDX+...\n & + RXRAT( 220 ) ! ECH4+OH=MEO2+RO2\n & + RXRAT( 234 ) ! CL=MEO2+HCL+RO2\n LOSS( MEO2 ) = RXRAT( 71 ) ! MEO2+NO=FORM+HO2+NO2\n & + RXRAT( 72 ) ! MEO2+HO2=0.9000D+00*MEPX+...\n & + 1.0000D-01 * RXRAT( 73 ) ! MEO2+C2O3=0.9000D+00*MEO2+...\n & + RXRAT( 74 ) ! MEO2+RO2=0.6850D+00*FORM+...\n & + RXRAT( 231 ) ! MEO2+CLO=CL+FORM+HO2\n\n PROD( RO2 ) = RXRAT( 53 ) ! C2O3+NO=RO2+MEO2+NO2\n & + 4.0000D-01 * RXRAT( 56 ) ! PAN=0.4000D+00*RO2+0.6000D+...\n & + 4.4000D-01 * RXRAT( 57 ) ! C2O3+HO2=0.4400D+00*RO2+...\n & + 2.0000D+00 * RXRAT( 59 ) ! C2O3+C2O3=0.2000D+01*RO2+...\n & + 2.0000D+00 * RXRAT( 60 ) ! C2O3+CXO3=0.2000D+01*RO2+...\n & + RXRAT( 61 ) ! CXO3+NO=RO2+ALD2+XO2H+NO2\n & + 4.0000D-01 * RXRAT( 64 ) ! PANX=0.4000D+00*RO2+...\n & + 4.4000D-01 * RXRAT( 65 ) ! CXO3+HO2=0.4400D+00*RO2+...\n & + 2.0000D+00 * RXRAT( 67 ) ! CXO3+CXO3=0.2000D+01*RO2+...\n & + 9.0000D-01 * RXRAT( 73 ) ! MEO2+C2O3=0.9000D+00*RO2+...\n & + 8.0000D-01 * RXRAT( 77 ) ! XO2H+C2O3=0.8000D+00*RO2+...\n & + 8.0000D-01 * RXRAT( 81 ) ! XO2+C2O3=0.8000D+00*RO2+...\n & + 8.0000D-01 * RXRAT( 85 ) ! XO2N+C2O3=0.8000D+00*RO2+...\n & + 6.0000D-01 * RXRAT( 87 ) ! MEPX+OH=0.6000D+00*RO2+...\n & + RXRAT( 88 ) ! MEPX=RO2+MEO2+OH\n & + 6.0000D-01 * RXRAT( 89 ) ! ROOH+OH=0.6000D+00*RO2+...\n & + RXRAT( 94 ) ! AACD+OH=RO2+MEO2\n & + RXRAT( 108 ) ! ALD2=RO2+MEO2+CO+HO2\n & + RXRAT( 112 ) ! ALDX=RO2+XO2H+ALD2+CO+HO2\n & + 1.1000D-01 * RXRAT( 114 ) ! GLYD=0.1100D+00*RO2+...\n & + 2.0000D-01 * RXRAT( 116 ) ! GLY+OH=0.2000D+00*RO2+...\n & + 5.0000D-01 * RXRAT( 118 ) ! GLY+NO3=0.5000D+00*RO2+...\n & + RXRAT( 120 ) ! MGLY+NO3=RO2+C2O3+XO2+HNO3\n & + RXRAT( 124 ) ! OH=RO2+MEO2\n & + RXRAT( 125 ) ! ETHA+OH=RO2+0.9910D+...\n & + 1.0000D-01 * RXRAT( 127 ) ! ETOH+OH=0.1000D+00*RO2+...\n & + RXRAT( 128 ) ! KET=RO2+0.5000D+00*C2O3+...\n & + 1.3800D+00 * RXRAT( 129 ) ! ACET=0.1380D+01*RO2+...\n & + RXRAT( 130 ) ! ACET+OH=RO2+C2O3+XO2+FORM\n & + 9.8000D-01 * RXRAT( 133 ) ! ROR=0.9800D+00*RO2+0.4200D+...\n & + 7.0000D-01 * RXRAT( 137 ) ! ETH+O=0.7000D+00*RO2+HO2+...\n & + RXRAT( 138 ) ! ETH+OH=RO2+XO2H+0.1560D+...\n & + RXRAT( 140 ) ! ETH+NO3=RO2+0.5000D+...\n & + 2.1000D-01 * RXRAT( 141 ) ! OLE+O=0.2100D+00*RO2+...\n & + 1.1950D+00 * RXRAT( 142 ) ! OLE+OH=0.1195D+01*RO2+...\n & + 1.5000D-01 * RXRAT( 143 ) ! OLE+O3=0.1500D+00*RO2+...\n & + RXRAT( 144 ) ! OLE+NO3=RO2+0.5000D+...\n & + 1.0000D-01 * RXRAT( 145 ) ! IOLE+O=0.1000D+00*RO2+...\n & + RXRAT( 146 ) ! IOLE+OH=RO2+0.7000D+...\n & + 3.0000D-01 * RXRAT( 147 ) ! IOLE+O3=0.3000D+00*RO2+...\n & + RXRAT( 148 ) ! IOLE+NO3=RO2+0.5000D+...\n & + RXRAT( 149 ) ! ISOP+OH=RO2+ISO2+ISOPRXN\n & + 2.5000D-01 * RXRAT( 150 ) ! ISOP+O=0.2500D+00*RO2+...\n & + 8.2000D-02 * RXRAT( 151 ) ! ISO2+NO=0.8200D-01*RO2+...\n & + 8.7200D-01 * RXRAT( 153 ) ! ISO2+C2O3=0.8720D+00*RO2+...\n & + 7.2000D-02 * RXRAT( 154 ) ! ISO2+RO2=0.1072D+01*RO2+...\n & + 2.0000D-01 * RXRAT( 156 ) ! ISOP+O3=0.2000D+00*RO2+...\n & + RXRAT( 157 ) ! ISOP+NO3=RO2+0.6500D+...\n & + 6.5800D-01 * RXRAT( 158 ) ! ISPD+OH=0.6580D+00*RO2+...\n & + 2.8400D-01 * RXRAT( 160 ) ! ISPD+NO3=0.2840D+00*RO2+...\n & + 8.4000D-01 * RXRAT( 161 ) ! ISPD=0.8400D+00*RO2+...\n & + 6.7000D-02 * RXRAT( 162 ) ! ISPX+OH=0.6700D-01*RO2+...\n & + RXRAT( 165 ) ! EPOX+OH=RO2+EPX2\n & + 8.0000D-01 * RXRAT( 168 ) ! EPX2+C2O3=0.8000D+00*RO2+...\n & + RXRAT( 170 ) ! INTR+OH=RO2+0.3700D+...\n & + 1.5000D+00 * RXRAT( 172 ) ! TERP+OH=0.1500D+01*RO2+...\n & + 9.4000D-01 * RXRAT( 173 ) ! TERP+O3=0.9400D+00*RO2+...\n & + 1.2800D+00 * RXRAT( 174 ) ! TERP+NO3=0.1280D+01*RO2+...\n & + 1.5000D+00 * RXRAT( 176 ) ! APIN+OH=0.1500D+01*RO2+...\n & + 9.4000D-01 * RXRAT( 177 ) ! APIN+O3=0.9400D+00*RO2+...\n & + 1.2800D+00 * RXRAT( 178 ) ! APIN+NO3=0.1280D+01*RO2+...\n & + 3.5200D-01 * RXRAT( 179 ) ! BENZENE+OH=0.3520D+00*RO2+...\n & + RXRAT( 181 ) ! BZO2+C2O3=RO2+OPEN+HO2+...\n & + 7.2000D-01 * RXRAT( 184 ) ! TOL+OH=0.7200D+00*RO2+...\n & + RXRAT( 186 ) ! TO2+C2O3=RO2+0.5200D+...\n & + 6.0200D-01 * RXRAT( 189 ) ! XYLMN+OH=0.6020D+00*RO2+...\n & + 6.0200D-01 * RXRAT( 190 ) ! NAPH+OH=0.6020D+00*RO2+...\n & + RXRAT( 193 ) ! XLO2+C2O3=RO2+0.7700D+...\n & + 2.0000D-02 * RXRAT( 195 ) ! CRES+OH=0.2000D-01*RO2+...\n & + 7.0000D-01 * RXRAT( 196 ) ! CRES+NO3=0.7000D+00*RO2+...\n & + 2.0000D+00 * RXRAT( 203 ) ! XOPN+OH=0.2000D+01*RO2+...\n & + 3.0000D-01 * RXRAT( 204 ) ! XOPN+O3=0.3000D+00*RO2+...\n & + RXRAT( 205 ) ! XOPN+NO3=RO2+0.5000D+...\n & + 4.0000D-01 * RXRAT( 207 ) ! OPEN+OH=0.4000D+00*RO2+...\n & + 4.4000D-01 * RXRAT( 215 ) ! OPO3+HO2=0.4400D+00*RO2+...\n & + 2.0000D+00 * RXRAT( 216 ) ! OPO3+C2O3=0.2000D+01*RO2+...\n & + 8.0000D-01 * RXRAT( 217 ) ! OPO3+RO2=0.1800D+01*RO2+...\n & + RXRAT( 220 ) ! ECH4+OH=RO2+MEO2\n & + RXRAT( 221 ) ! XPRP=RO2+XO2N\n & + RXRAT( 222 ) ! XPRP=RO2+0.2680D+00*ALDX+...\n & + RXRAT( 223 ) ! XPAR=RO2+XO2N\n & + RXRAT( 224 ) ! XPAR=RO2+0.8740D+00*ROR+...\n & + RXRAT( 234 ) ! CL=RO2+MEO2+HCL\n & + RXRAT( 236 ) ! CL+PRPA=RO2+ACET+0.9700D+...\n & + RXRAT( 237 ) ! CL+ETHA=RO2+0.9910D+...\n & + RXRAT( 241 ) ! CL+ISOP=RO2+ISPD+0.9600D+...\n & + 7.2000D-01 * RXRAT( 248 ) ! CL+TOL=0.7200D+00*RO2+...\n & + 6.0200D-01 * RXRAT( 249 ) ! CL+XYLMN=0.6020D+00*RO2+...\n & + 6.0200D-01 * RXRAT( 250 ) ! CL+NAPH=0.6020D+00*RO2+...\n LOSS( RO2 ) = RXRAT( 58 ) ! RO2+C2O3=C2O3\n & + 2.0000D-01 * RXRAT( 66 ) ! RO2+CXO3=0.8000D+00*RO2+...\n & + RXRAT( 68 ) ! RO2+NO=NO\n & + RXRAT( 69 ) ! RO2+HO2=HO2\n & + 2.0000D+00 * RXRAT( 70 ) ! RO2+RO2=\n\n PROD( PACD ) = 4.1000D-01 * RXRAT( 57 ) ! C2O3+HO2=0.4100D+00*PACD+...\n & + 4.1000D-01 * RXRAT( 65 ) ! CXO3+HO2=0.4100D+00*PACD+...\n & + 4.1000D-01 * RXRAT( 215 ) ! OPO3+HO2=0.4100D+00*PACD+...\n LOSS( PACD ) = RXRAT( 95 ) ! PACD+OH=C2O3\n\n PROD( AACD ) = 1.5000D-01 * RXRAT( 57 ) ! C2O3+HO2=0.1500D+00*AACD+...\n & + 1.5000D-01 * RXRAT( 65 ) ! CXO3+HO2=0.1500D+00*AACD+...\n & + 1.0000D-01 * RXRAT( 73 ) ! MEO2+C2O3=0.1000D+00*AACD+...\n & + 2.0000D-01 * RXRAT( 77 ) ! XO2H+C2O3=0.2000D+00*AACD+...\n & + 2.0000D-01 * RXRAT( 81 ) ! XO2+C2O3=0.2000D+00*AACD+...\n & + 2.0000D-01 * RXRAT( 85 ) ! XO2N+C2O3=0.2000D+00*AACD+...\n & + 1.3000D-01 * RXRAT( 143 ) ! OLE+O3=0.1300D+00*AACD+...\n & + 8.0000D-02 * RXRAT( 147 ) ! IOLE+O3=0.8000D-01*AACD+...\n & + 2.0000D-01 * RXRAT( 153 ) ! ISO2+C2O3=0.2000D+00*AACD+...\n & + 2.0000D-01 * RXRAT( 168 ) ! EPX2+C2O3=0.2000D+00*AACD+...\n & + 1.5000D-01 * RXRAT( 215 ) ! OPO3+HO2=0.1500D+00*AACD+...\n & + 2.0000D-01 * RXRAT( 217 ) ! OPO3+RO2=0.2000D+00*AACD+...\n LOSS( AACD ) = RXRAT( 94 ) ! AACD+OH=MEO2+RO2\n\n PROD( CXO3 ) = RXRAT( 63 ) ! PANX=CXO3+NO2\n & + 6.0000D-01 * RXRAT( 64 ) ! PANX=0.6000D+00*CXO3+...\n & + RXRAT( 109 ) ! ALDX+O=CXO3+OH\n & + RXRAT( 110 ) ! ALDX+OH=CXO3\n & + RXRAT( 111 ) ! ALDX+NO3=CXO3+HNO3\n & + 5.0000D-01 * RXRAT( 128 ) ! KET=0.5000D+00*CXO3+...\n & + 2.5000D-01 * RXRAT( 150 ) ! ISOP+O=0.2500D+00*CXO3+...\n & + 2.0000D-01 * RXRAT( 156 ) ! ISOP+O3=0.2000D+00*CXO3+...\n & + 7.1700D-01 * RXRAT( 160 ) ! ISPD+NO3=0.7170D+00*CXO3+...\n & + 3.9000D-01 * RXRAT( 173 ) ! TERP+O3=0.3900D+00*CXO3+...\n & + 3.9000D-01 * RXRAT( 177 ) ! APIN+O3=0.3900D+00*CXO3+...\n & + 2.0000D-01 * RXRAT( 212 ) ! OPO3+NO=0.2000D+00*CXO3+...\n & + RXRAT( 244 ) ! CL+ALDX=CXO3+HCL\n LOSS( CXO3 ) = RXRAT( 60 ) ! CXO3+C2O3=MEO2+ALD2+XO2H+...\n & + RXRAT( 61 ) ! CXO3+NO=NO2+ALD2+XO2H+RO2\n & + RXRAT( 62 ) ! CXO3+NO2=PANX\n & + RXRAT( 65 ) ! CXO3+HO2=0.4100D+00*PACD+...\n & + RXRAT( 66 ) ! CXO3+RO2=0.8000D+00*ALD2+...\n & + 2.0000D+00 * RXRAT( 67 ) ! CXO3+CXO3=0.2000D+01*ALD2+...\n\n PROD( ALD2 ) = RXRAT( 60 ) ! C2O3+CXO3=ALD2+MEO2+XO2H+...\n & + RXRAT( 61 ) ! CXO3+NO=ALD2+NO2+XO2H+RO2\n & + 4.0000D-01 * RXRAT( 64 ) ! PANX=0.4000D+00*ALD2+...\n & + 4.4000D-01 * RXRAT( 65 ) ! CXO3+HO2=0.4400D+00*ALD2+...\n & + 8.0000D-01 * RXRAT( 66 ) ! CXO3+RO2=0.8000D+00*ALD2+...\n & + 2.0000D+00 * RXRAT( 67 ) ! CXO3+CXO3=0.2000D+01*ALD2+...\n & + RXRAT( 112 ) ! ALDX=ALD2+XO2H+RO2+CO+HO2\n & + 9.9100D-01 * RXRAT( 125 ) ! ETHA+OH=0.9910D+00*ALD2+...\n & + 9.5000D-01 * RXRAT( 127 ) ! ETOH+OH=0.9500D+00*ALD2+...\n & + 5.0000D-01 * RXRAT( 128 ) ! KET=0.5000D+00*ALD2+...\n & + 7.4000D-01 * RXRAT( 133 ) ! ROR=0.7400D+00*ALD2+...\n & + 2.0000D-01 * RXRAT( 141 ) ! OLE+O=0.2000D+00*ALD2+...\n & + 4.8800D-01 * RXRAT( 142 ) ! OLE+OH=0.4880D+00*ALD2+...\n & + 2.9500D-01 * RXRAT( 143 ) ! OLE+O3=0.2950D+00*ALD2+...\n & + 2.5000D-01 * RXRAT( 144 ) ! OLE+NO3=0.2500D+00*ALD2+...\n & + 1.2400D+00 * RXRAT( 145 ) ! IOLE+O=0.1240D+01*ALD2+...\n & + 1.3000D+00 * RXRAT( 146 ) ! IOLE+OH=0.1300D+01*ALD2+...\n & + 7.3200D-01 * RXRAT( 147 ) ! IOLE+O3=0.7320D+00*ALD2+...\n & + 5.0000D-01 * RXRAT( 148 ) ! IOLE+NO3=0.5000D+00*ALD2+...\n & + 4.0000D-02 * RXRAT( 159 ) ! ISPD+O3=0.4000D-01*ALD2+...\n & + 1.0000D-01 * RXRAT( 204 ) ! XOPN+O3=0.1000D+00*ALD2+...\n & + 2.0000D-02 * RXRAT( 208 ) ! OPEN+O3=0.2000D-01*ALD2+...\n & + RXRAT( 219 ) ! PANX+OH=ALD2+NO2\n & + 9.9100D-01 * RXRAT( 237 ) ! CL+ETHA=0.9910D+00*ALD2+...\n & + 3.3000D-01 * RXRAT( 239 ) ! CL+OLE=0.3300D+00*ALD2+...\n & + 4.5000D-01 * RXRAT( 240 ) ! CL+IOLE=0.4500D+00*ALD2+...\n & + RXRAT( 246 ) ! CL+ETOH=ALD2+HO2+HCL\n LOSS( ALD2 ) = RXRAT( 105 ) ! ALD2+O=C2O3+OH\n & + RXRAT( 106 ) ! ALD2+OH=C2O3\n & + RXRAT( 107 ) ! ALD2+NO3=C2O3+HNO3\n & + RXRAT( 108 ) ! ALD2=MEO2+RO2+CO+HO2\n & + RXRAT( 243 ) ! ALD2+CL=HCL+C2O3\n\n PROD( XO2H ) = RXRAT( 60 ) ! C2O3+CXO3=XO2H+ALD2+MEO2+...\n & + RXRAT( 61 ) ! CXO3+NO=XO2H+ALD2+NO2+RO2\n & + 4.0000D-01 * RXRAT( 64 ) ! PANX=0.4000D+00*XO2H+...\n & + 4.4000D-01 * RXRAT( 65 ) ! CXO3+HO2=0.4400D+00*XO2H+...\n & + 8.0000D-01 * RXRAT( 66 ) ! CXO3+RO2=0.8000D+00*XO2H+...\n & + 2.0000D+00 * RXRAT( 67 ) ! CXO3+CXO3=0.2000D+01*XO2H+...\n & + 5.4000D-01 * RXRAT( 89 ) ! ROOH+OH=0.5400D+00*XO2H+...\n & + RXRAT( 112 ) ! ALDX=XO2H+ALD2+RO2+CO+HO2\n & + 1.1000D-01 * RXRAT( 114 ) ! GLYD=0.1100D+00*XO2H+...\n & + 9.9100D-01 * RXRAT( 125 ) ! ETHA+OH=0.9910D+00*XO2H+...\n & + 1.0000D-01 * RXRAT( 127 ) ! ETOH+OH=0.1000D+00*XO2H+...\n & + 5.0000D-01 * RXRAT( 128 ) ! KET=0.5000D+00*XO2H+...\n & + 9.4000D-01 * RXRAT( 133 ) ! ROR=0.9400D+00*XO2H+...\n & + 7.0000D-01 * RXRAT( 137 ) ! ETH+O=0.7000D+00*XO2H+HO2+...\n & + RXRAT( 138 ) ! ETH+OH=XO2H+RO2+0.1560D+...\n & + 5.0000D-01 * RXRAT( 140 ) ! ETH+NO3=0.5000D+00*XO2H+...\n & + 2.0000D-01 * RXRAT( 141 ) ! OLE+O=0.2000D+00*XO2H+...\n & + 9.7600D-01 * RXRAT( 142 ) ! OLE+OH=0.9760D+00*XO2H+...\n & + 1.5000D-01 * RXRAT( 143 ) ! OLE+O3=0.1500D+00*XO2H+...\n & + 4.8000D-01 * RXRAT( 144 ) ! OLE+NO3=0.4800D+00*XO2H+...\n & + 1.0000D-01 * RXRAT( 145 ) ! IOLE+O=0.1000D+00*XO2H+...\n & + RXRAT( 146 ) ! IOLE+OH=XO2H+0.7000D+...\n & + 3.0000D-01 * RXRAT( 147 ) ! IOLE+O3=0.3000D+00*XO2H+...\n & + 4.8000D-01 * RXRAT( 148 ) ! IOLE+NO3=0.4800D+00*XO2H+...\n & + 8.2000D-02 * RXRAT( 151 ) ! ISO2+NO=0.8200D-01*XO2H+...\n & + 7.2000D-02 * RXRAT( 153 ) ! ISO2+C2O3=0.7200D-01*XO2H+...\n & + 7.2000D-02 * RXRAT( 154 ) ! ISO2+RO2=0.7200D-01*XO2H+...\n & + 6.4000D-01 * RXRAT( 157 ) ! ISOP+NO3=0.6400D+00*XO2H+...\n & + 1.4200D-01 * RXRAT( 160 ) ! ISPD+NO3=0.1420D+00*XO2H+...\n & + 3.4000D-01 * RXRAT( 161 ) ! ISPD=0.3400D+00*XO2H+...\n & + 3.7000D-01 * RXRAT( 170 ) ! INTR+OH=0.3700D+00*XO2H+...\n & + 7.5000D-01 * RXRAT( 172 ) ! TERP+OH=0.7500D+00*XO2H+...\n & + 7.0000D-02 * RXRAT( 173 ) ! TERP+O3=0.7000D-01*XO2H+...\n & + 2.8000D-01 * RXRAT( 174 ) ! TERP+NO3=0.2800D+00*XO2H+...\n & + 7.5000D-01 * RXRAT( 176 ) ! APIN+OH=0.7500D+00*XO2H+...\n & + 7.0000D-02 * RXRAT( 177 ) ! APIN+O3=0.7000D-01*XO2H+...\n & + 2.8000D-01 * RXRAT( 178 ) ! APIN+NO3=0.2800D+00*XO2H+...\n & + 7.0000D-02 * RXRAT( 184 ) ! TOL+OH=0.7000D-01*XO2H+...\n & + 5.8000D-02 * RXRAT( 189 ) ! XYLMN+OH=0.5800D-01*XO2H+...\n & + 5.8000D-02 * RXRAT( 190 ) ! NAPH+OH=0.5800D-01*XO2H+...\n & + 1.2000D-01 * RXRAT( 196 ) ! CRES+NO3=0.1200D+00*XO2H+...\n & + RXRAT( 202 ) ! XOPN=XO2H+0.4000D+00*GLY+...\n & + 2.0000D+00 * RXRAT( 203 ) ! XOPN+OH=0.2000D+01*XO2H+...\n & + 3.0000D-01 * RXRAT( 204 ) ! XOPN+O3=0.3000D+00*XO2H+...\n & + 4.5000D-01 * RXRAT( 205 ) ! XOPN+NO3=0.4500D+00*XO2H+...\n & + 4.0000D-01 * RXRAT( 207 ) ! OPEN+OH=0.4000D+00*XO2H+...\n & + 4.4000D-01 * RXRAT( 215 ) ! OPO3+HO2=0.4400D+00*XO2H+...\n & + 8.0000D-01 * RXRAT( 217 ) ! OPO3+RO2=0.8000D+00*XO2H+...\n & + RXRAT( 222 ) ! XPRP=XO2H+0.2680D+00*ALDX+...\n & + 1.2600D-01 * RXRAT( 224 ) ! XPAR=0.1260D+00*XO2H+...\n & + 9.7000D-01 * RXRAT( 236 ) ! CL+PRPA=0.9700D+00*XO2H+...\n & + 9.9100D-01 * RXRAT( 237 ) ! CL+ETHA=0.9910D+00*XO2H+...\n & + 9.6000D-01 * RXRAT( 241 ) ! CL+ISOP=0.9600D+00*XO2H+...\n & + 7.0000D-02 * RXRAT( 248 ) ! CL+TOL=0.7000D-01*XO2H+...\n & + 5.8000D-02 * RXRAT( 249 ) ! CL+XYLMN=0.5800D-01*XO2H+...\n & + 5.8000D-02 * RXRAT( 250 ) ! CL+NAPH=0.5800D-01*XO2H+...\n LOSS( XO2H ) = RXRAT( 75 ) ! XO2H+NO=NO2+HO2\n & + RXRAT( 76 ) ! XO2H+HO2=ROOH\n & + RXRAT( 77 ) ! XO2H+C2O3=0.8000D+00*HO2+...\n & + RXRAT( 78 ) ! XO2H+RO2=0.6000D+00*HO2+RO2\n\n PROD( PANX ) = RXRAT( 62 ) ! CXO3+NO2=PANX\n LOSS( PANX ) = RXRAT( 63 ) ! PANX=NO2+CXO3\n & + RXRAT( 64 ) ! PANX=0.6000D+00*NO2+...\n & + RXRAT( 219 ) ! PANX+OH=ALD2+NO2\n\n PROD( FORM ) = RXRAT( 71 ) ! MEO2+NO=FORM+HO2+NO2\n & + 1.0000D-01 * RXRAT( 72 ) ! MEO2+HO2=0.1000D+00*FORM+...\n & + RXRAT( 73 ) ! MEO2+C2O3=FORM+0.9000D+...\n & + 6.8500D-01 * RXRAT( 74 ) ! MEO2+RO2=0.6850D+00*FORM+...\n & + 4.0000D-01 * RXRAT( 87 ) ! MEPX+OH=0.4000D+00*FORM+...\n & + RXRAT( 102 ) ! HCO3=FORM+HO2\n & + 7.4000D-01 * RXRAT( 114 ) ! GLYD=0.7400D+00*FORM+...\n & + RXRAT( 126 ) ! MEOH+OH=FORM+HO2\n & + 7.8000D-02 * RXRAT( 127 ) ! ETOH+OH=0.7800D-01*FORM+...\n & + RXRAT( 130 ) ! ACET+OH=FORM+C2O3+XO2+RO2\n & + RXRAT( 137 ) ! ETH+O=FORM+HO2+CO+0.7000D+...\n & + 1.5600D+00 * RXRAT( 138 ) ! ETH+OH=0.1560D+01*FORM+RO2+...\n & + RXRAT( 139 ) ! ETH+O3=FORM+0.5100D+00*CO+...\n & + 1.1250D+00 * RXRAT( 140 ) ! ETH+NO3=0.1125D+01*FORM+...\n & + 2.0000D-01 * RXRAT( 141 ) ! OLE+O=0.2000D+00*FORM+...\n & + 7.8100D-01 * RXRAT( 142 ) ! OLE+OH=0.7810D+00*FORM+...\n & + 5.5500D-01 * RXRAT( 143 ) ! OLE+O3=0.5550D+00*FORM+...\n & + 5.0000D-01 * RXRAT( 144 ) ! OLE+NO3=0.5000D+00*FORM+...\n & + 1.2800D-01 * RXRAT( 147 ) ! IOLE+O3=0.1280D+00*FORM+...\n & + 5.0000D-01 * RXRAT( 150 ) ! ISOP+O=0.5000D+00*FORM+...\n & + 6.7300D-01 * RXRAT( 151 ) ! ISO2+NO=0.6730D+00*FORM+...\n & + 1.2000D-01 * RXRAT( 152 ) ! ISO2+HO2=0.1200D+00*FORM+...\n & + 5.9800D-01 * RXRAT( 153 ) ! ISO2+C2O3=0.5980D+00*FORM+...\n & + 5.9800D-01 * RXRAT( 154 ) ! ISO2+RO2=0.5980D+00*FORM+...\n & + 6.0000D-01 * RXRAT( 156 ) ! ISOP+O3=0.6000D+00*FORM+...\n & + 3.5000D-01 * RXRAT( 157 ) ! ISOP+NO3=0.3500D+00*FORM+...\n & + 2.3100D-01 * RXRAT( 159 ) ! ISPD+O3=0.2310D+00*FORM+...\n & + 2.6000D-01 * RXRAT( 161 ) ! ISPD=0.2600D+00*FORM+...\n & + 3.7500D-01 * RXRAT( 166 ) ! EPX2+HO2=0.3750D+00*FORM+...\n & + 3.7500D-01 * RXRAT( 167 ) ! EPX2+NO=0.3750D+00*FORM+...\n & + 3.0000D-01 * RXRAT( 168 ) ! EPX2+C2O3=0.3000D+00*FORM+...\n & + 3.7500D-01 * RXRAT( 169 ) ! EPX2+RO2=0.3750D+00*FORM+...\n & + 5.9200D-01 * RXRAT( 170 ) ! INTR+OH=0.5920D+00*FORM+...\n & + 2.8000D-01 * RXRAT( 172 ) ! TERP+OH=0.2800D+00*FORM+...\n & + 2.4000D-01 * RXRAT( 173 ) ! TERP+O3=0.2400D+00*FORM+...\n & + 2.8000D-01 * RXRAT( 176 ) ! APIN+OH=0.2800D+00*FORM+...\n & + 2.4000D-01 * RXRAT( 177 ) ! APIN+O3=0.2400D+00*FORM+...\n & + RXRAT( 201 ) ! CRON=FORM+HO2+HONO+OPEN\n & + 8.0000D-02 * RXRAT( 208 ) ! OPEN+O3=0.8000D-01*FORM+...\n & + 1.4000D-01 * RXRAT( 210 ) ! CAT1+OH=0.1400D+00*FORM+...\n & + RXRAT( 231 ) ! CLO+MEO2=FORM+CL+HO2\n & + RXRAT( 238 ) ! CL+ETH=FORM+0.2000D+01*XO2+...\n & + RXRAT( 245 ) ! CL+MEOH=FORM+HO2+HCL\n LOSS( FORM ) = RXRAT( 96 ) ! FORM+OH=HO2+CO\n & + RXRAT( 97 ) ! FORM=0.2000D+01*HO2+CO\n & + RXRAT( 98 ) ! FORM=CO\n & + RXRAT( 99 ) ! FORM+O=OH+HO2+CO\n & + RXRAT( 100 ) ! FORM+NO3=HNO3+HO2+CO\n & + RXRAT( 101 ) ! FORM+HO2=HCO3\n & + RXRAT( 242 ) ! FORM+CL=HCL+HO2+CO\n\n PROD( MEPX ) = 9.0000D-01 * RXRAT( 72 ) ! MEO2+HO2=0.9000D+00*MEPX+...\n & + 5.0000D-01 * RXRAT( 104 ) ! HCO3+HO2=0.5000D+00*MEPX+...\n LOSS( MEPX ) = RXRAT( 87 ) ! MEPX+OH=0.6000D+00*MEO2+...\n & + RXRAT( 88 ) ! MEPX=MEO2+RO2+OH\n\n PROD( MEOH ) = 3.1500D-01 * RXRAT( 74 ) ! MEO2+RO2=0.3150D+00*MEOH+...\n & + 1.5000D-01 * RXRAT( 114 ) ! GLYD=0.1500D+00*MEOH+...\n LOSS( MEOH ) = RXRAT( 126 ) ! MEOH+OH=FORM+HO2\n & + RXRAT( 245 ) ! MEOH+CL=HCL+HO2+FORM\n\n PROD( ROOH ) = RXRAT( 76 ) ! XO2H+HO2=ROOH\n & + RXRAT( 80 ) ! XO2+HO2=ROOH\n & + RXRAT( 84 ) ! XO2N+HO2=ROOH\n LOSS( ROOH ) = RXRAT( 89 ) ! ROOH+OH=0.5400D+00*XO2H+...\n & + RXRAT( 90 ) ! ROOH=HO2+OH\n\n PROD( XO2 ) = 2.0000D-01 * RXRAT( 116 ) ! GLY+OH=0.2000D+00*XO2+...\n & + 5.0000D-01 * RXRAT( 118 ) ! GLY+NO3=0.5000D+00*XO2+...\n & + RXRAT( 120 ) ! MGLY+NO3=XO2+C2O3+HNO3+RO2\n & + RXRAT( 130 ) ! ACET+OH=XO2+C2O3+FORM+RO2\n & + 5.0000D-01 * RXRAT( 140 ) ! ETH+NO3=0.5000D+00*XO2+...\n & + 1.9500D-01 * RXRAT( 142 ) ! OLE+OH=0.1950D+00*XO2+...\n & + 4.8000D-01 * RXRAT( 144 ) ! OLE+NO3=0.4800D+00*XO2+...\n & + 4.8000D-01 * RXRAT( 148 ) ! IOLE+NO3=0.4800D+00*XO2+...\n & + 2.5000D-01 * RXRAT( 150 ) ! ISOP+O=0.2500D+00*XO2+...\n & + 2.0000D-01 * RXRAT( 156 ) ! ISOP+O3=0.2000D+00*XO2+...\n & + 3.3000D-01 * RXRAT( 157 ) ! ISOP+NO3=0.3300D+00*XO2+...\n & + 5.2100D-01 * RXRAT( 158 ) ! ISPD+OH=0.5210D+00*XO2+...\n & + 1.4200D-01 * RXRAT( 160 ) ! ISPD+NO3=0.1420D+00*XO2+...\n & + 1.6000D-01 * RXRAT( 161 ) ! ISPD=0.1600D+00*XO2+...\n & + 6.3000D-01 * RXRAT( 170 ) ! INTR+OH=0.6300D+00*XO2+...\n & + 5.0000D-01 * RXRAT( 172 ) ! TERP+OH=0.5000D+00*XO2+...\n & + 6.9000D-01 * RXRAT( 173 ) ! TERP+O3=0.6900D+00*XO2+...\n & + 7.5000D-01 * RXRAT( 174 ) ! TERP+NO3=0.7500D+00*XO2+...\n & + 5.0000D-01 * RXRAT( 176 ) ! APIN+OH=0.5000D+00*XO2+...\n & + 6.9000D-01 * RXRAT( 177 ) ! APIN+O3=0.6900D+00*XO2+...\n & + 7.5000D-01 * RXRAT( 178 ) ! APIN+NO3=0.7500D+00*XO2+...\n & + 4.8000D-01 * RXRAT( 196 ) ! CRES+NO3=0.4800D+00*XO2+...\n & + 4.5000D-01 * RXRAT( 205 ) ! XOPN+NO3=0.4500D+00*XO2+...\n & + RXRAT( 216 ) ! OPO3+C2O3=XO2+MEO2+ALDX+...\n & + 8.7400D-01 * RXRAT( 224 ) ! XPAR=0.8740D+00*XO2+...\n & + 2.0000D+00 * RXRAT( 238 ) ! CL+ETH=0.2000D+01*XO2+FMCL+...\n & + 2.0000D+00 * RXRAT( 239 ) ! CL+OLE=0.2000D+01*XO2+...\n & + 1.7000D+00 * RXRAT( 240 ) ! CL+IOLE=0.1700D+01*XO2+...\n LOSS( XO2 ) = RXRAT( 79 ) ! XO2+NO=NO2\n & + RXRAT( 80 ) ! XO2+HO2=ROOH\n & + RXRAT( 81 ) ! XO2+C2O3=0.8000D+00*MEO2+...\n & + RXRAT( 82 ) ! XO2+RO2=RO2\n\n PROD( XO2N ) = 6.0000D-02 * RXRAT( 89 ) ! ROOH+OH=0.6000D-01*XO2N+...\n & + 9.0000D-03 * RXRAT( 125 ) ! ETHA+OH=0.9000D-02*XO2N+...\n & + 4.0000D-02 * RXRAT( 133 ) ! ROR=0.4000D-01*XO2N+...\n & + 1.0000D-02 * RXRAT( 141 ) ! OLE+O=0.1000D-01*XO2N+...\n & + 2.4000D-02 * RXRAT( 142 ) ! OLE+OH=0.2400D-01*XO2N+...\n & + 4.0000D-02 * RXRAT( 144 ) ! OLE+NO3=0.4000D-01*XO2N+...\n & + 4.0000D-02 * RXRAT( 148 ) ! IOLE+NO3=0.4000D-01*XO2N+...\n & + 3.0000D-02 * RXRAT( 157 ) ! ISOP+NO3=0.3000D-01*XO2N+...\n & + 2.2000D-02 * RXRAT( 158 ) ! ISPD+OH=0.2200D-01*XO2N+...\n & + 2.5000D-01 * RXRAT( 172 ) ! TERP+OH=0.2500D+00*XO2N+...\n & + 1.8000D-01 * RXRAT( 173 ) ! TERP+O3=0.1800D+00*XO2N+...\n & + 2.5000D-01 * RXRAT( 174 ) ! TERP+NO3=0.2500D+00*XO2N+...\n & + 2.5000D-01 * RXRAT( 176 ) ! APIN+OH=0.2500D+00*XO2N+...\n & + 1.8000D-01 * RXRAT( 177 ) ! APIN+O3=0.1800D+00*XO2N+...\n & + 2.5000D-01 * RXRAT( 178 ) ! APIN+NO3=0.2500D+00*XO2N+...\n & + 2.0000D-02 * RXRAT( 195 ) ! CRES+OH=0.2000D-01*XO2N+...\n & + 1.0000D-01 * RXRAT( 196 ) ! CRES+NO3=0.1000D+00*XO2N+...\n & + 1.0000D-01 * RXRAT( 205 ) ! XOPN+NO3=0.1000D+00*XO2N+...\n & + RXRAT( 221 ) ! XPRP=XO2N+RO2\n & + RXRAT( 223 ) ! XPAR=XO2N+RO2\n & + 3.0000D-02 * RXRAT( 236 ) ! CL+PRPA=0.3000D-01*XO2N+...\n & + 9.0000D-03 * RXRAT( 237 ) ! CL+ETHA=0.9000D-02*XO2N+...\n & + 4.0000D-02 * RXRAT( 241 ) ! CL+ISOP=0.4000D-01*XO2N+...\n LOSS( XO2N ) = RXRAT( 83 ) ! XO2N+NO=0.5000D+00*NTR1+...\n & + RXRAT( 84 ) ! XO2N+HO2=ROOH\n & + RXRAT( 85 ) ! XO2N+C2O3=0.8000D+00*HO2+...\n & + RXRAT( 86 ) ! XO2N+RO2=RO2\n\n PROD( NTR1 ) = 5.0000D-01 * RXRAT( 83 ) ! XO2N+NO=0.5000D+00*NTR1+...\n & + RXRAT( 135 ) ! ROR+NO2=NTR1\n & + 5.0000D-01 * RXRAT( 140 ) ! ETH+NO3=0.5000D+00*NTR1+...\n & + 5.0000D-01 * RXRAT( 144 ) ! OLE+NO3=0.5000D+00*NTR1+...\n & + 5.0000D-01 * RXRAT( 148 ) ! IOLE+NO3=0.5000D+00*NTR1+...\n LOSS( NTR1 ) = RXRAT( 91 ) ! NTR1+OH=NTR2\n & + RXRAT( 92 ) ! NTR1=NO2\n\n PROD( NTR2 ) = 5.0000D-01 * RXRAT( 83 ) ! XO2N+NO=0.5000D+00*NTR2+...\n & + RXRAT( 91 ) ! NTR1+OH=NTR2\n & + 6.5000D-01 * RXRAT( 157 ) ! ISOP+NO3=0.6500D+00*NTR2+...\n & + 1.4200D-01 * RXRAT( 160 ) ! ISPD+NO3=0.1420D+00*NTR2+...\n & + 2.6600D-01 * RXRAT( 170 ) ! INTR+OH=0.2660D+00*NTR2+...\n & + 5.3000D-01 * RXRAT( 174 ) ! TERP+NO3=0.5300D+00*NTR2+...\n & + 5.3000D-01 * RXRAT( 178 ) ! APIN+NO3=0.5300D+00*NTR2+...\n & + 8.2000D-02 * RXRAT( 180 ) ! BZO2+NO=0.8200D-01*NTR2+...\n & + 1.4000D-01 * RXRAT( 185 ) ! TO2+NO=0.1400D+00*NTR2+...\n & + 1.4000D-01 * RXRAT( 191 ) ! XLO2+NO=0.1400D+00*NTR2+...\n & + RXRAT( 199 ) ! CRON+OH=NTR2+0.5000D+00*CRO\n & + RXRAT( 200 ) ! CRON+NO3=NTR2+0.5000D+...\n & + 5.0000D-01 * RXRAT( 205 ) ! XOPN+NO3=0.5000D+00*NTR2+...\n & + 5.0000D-01 * RXRAT( 218 ) ! OPAN+OH=0.5000D+00*NTR2+...\n LOSS( NTR2 ) = RXRAT( 268 ) ! NTR2=HNO3\n\n PROD( FACD ) = RXRAT( 103 ) ! HCO3+NO=FACD+NO2+HO2\n & + 5.0000D-01 * RXRAT( 104 ) ! HCO3+HO2=0.5000D+00*FACD+...\n & + 3.0000D-01 * RXRAT( 136 ) ! ETHY+OH=0.3000D+00*FACD+...\n & + 3.7000D-01 * RXRAT( 139 ) ! ETH+O3=0.3700D+00*FACD+...\n & + 9.0000D-02 * RXRAT( 143 ) ! OLE+O3=0.9000D-01*FACD+...\n & + 1.5000D-01 * RXRAT( 159 ) ! ISPD+O3=0.1500D+00*FACD+...\n & + 7.4000D-02 * RXRAT( 166 ) ! EPX2+HO2=0.7400D-01*FACD+...\n & + 1.8500D-01 * RXRAT( 170 ) ! INTR+OH=0.1850D+00*FACD+...\n LOSS( FACD ) = RXRAT( 93 ) ! FACD+OH=HO2\n\n PROD( CO ) = RXRAT( 96 ) ! FORM+OH=CO+HO2\n & + RXRAT( 97 ) ! FORM=CO+0.2000D+01*HO2\n & + RXRAT( 98 ) ! FORM=CO\n & + RXRAT( 99 ) ! FORM+O=CO+HO2+OH\n & + RXRAT( 100 ) ! FORM+NO3=CO+HO2+HNO3\n & + RXRAT( 108 ) ! ALD2=CO+RO2+MEO2+HO2\n & + RXRAT( 112 ) ! ALDX=CO+XO2H+RO2+ALD2+HO2\n & + 8.9000D-01 * RXRAT( 114 ) ! GLYD=0.8900D+00*CO+0.7400D+...\n & + 1.8000D+00 * RXRAT( 116 ) ! GLY+OH=0.1800D+01*CO+...\n & + 2.0000D+00 * RXRAT( 117 ) ! GLY=0.2000D+01*CO+0.2000D+...\n & + 1.5000D+00 * RXRAT( 118 ) ! GLY+NO3=0.1500D+01*CO+HNO3+...\n & + RXRAT( 119 ) ! MGLY=CO+HO2+C2O3\n & + RXRAT( 121 ) ! MGLY+OH=CO+C2O3\n & + 3.8000D-01 * RXRAT( 129 ) ! ACET=0.3800D+00*CO+0.1380D+...\n & + 3.0000D-01 * RXRAT( 136 ) ! ETHY+OH=0.3000D+00*CO+...\n & + RXRAT( 137 ) ! ETH+O=CO+HO2+FORM+0.7000D+...\n & + 5.1000D-01 * RXRAT( 139 ) ! ETH+O3=0.5100D+00*CO+FORM+...\n & + 2.0000D-01 * RXRAT( 141 ) ! OLE+O=0.2000D+00*CO+...\n & + 3.7800D-01 * RXRAT( 143 ) ! OLE+O3=0.3780D+00*CO+...\n & + 1.0000D-01 * RXRAT( 145 ) ! IOLE+O=0.1000D+00*CO+...\n & + 2.4500D-01 * RXRAT( 147 ) ! IOLE+O3=0.2450D+00*CO+...\n & + 6.6000D-02 * RXRAT( 156 ) ! ISOP+O3=0.6600D-01*CO+...\n & + 1.3700D-01 * RXRAT( 158 ) ! ISPD+OH=0.1370D+00*CO+...\n & + 5.4300D-01 * RXRAT( 159 ) ! ISPD+O3=0.5430D+00*CO+...\n & + 2.5100D-01 * RXRAT( 166 ) ! EPX2+HO2=0.2510D+00*CO+...\n & + 2.5100D-01 * RXRAT( 167 ) ! EPX2+NO=0.2510D+00*CO+...\n & + 2.0000D-01 * RXRAT( 168 ) ! EPX2+C2O3=0.2000D+00*CO+...\n & + 2.5100D-01 * RXRAT( 169 ) ! EPX2+RO2=0.2510D+00*CO+...\n & + 1.0000D-03 * RXRAT( 173 ) ! TERP+O3=0.1000D-02*CO+...\n & + 1.0000D-03 * RXRAT( 177 ) ! APIN+O3=0.1000D-02*CO+...\n & + 7.0000D-01 * RXRAT( 202 ) ! XOPN=0.7000D+00*CO+XO2H+...\n & + 5.0000D-01 * RXRAT( 204 ) ! XOPN+O3=0.5000D+00*CO+...\n & + RXRAT( 206 ) ! OPEN=CO+HO2+OPO3\n & + 1.9800D+00 * RXRAT( 208 ) ! OPEN+O3=0.1980D+01*CO+...\n & + 5.0000D-01 * RXRAT( 212 ) ! OPO3+NO=0.5000D+00*CO+...\n & + RXRAT( 218 ) ! OPAN+OH=CO+0.5000D+00*GLY+...\n & + RXRAT( 232 ) ! OH+FMCL=CO+CL\n & + RXRAT( 233 ) ! FMCL=CO+CL+HO2\n & + RXRAT( 242 ) ! CL+FORM=CO+HO2+HCL\n LOSS( CO ) = RXRAT( 123 ) ! CO+OH=HO2\n\n PROD( HCO3 ) = RXRAT( 101 ) ! FORM+HO2=HCO3\n LOSS( HCO3 ) = RXRAT( 102 ) ! HCO3=FORM+HO2\n & + RXRAT( 103 ) ! HCO3+NO=FACD+NO2+HO2\n & + RXRAT( 104 ) ! HCO3+HO2=0.5000D+00*MEPX+...\n\n PROD( ALDX ) = 3.7000D-01 * RXRAT( 133 ) ! ROR=0.3700D+00*ALDX+...\n & + 3.0000D-01 * RXRAT( 141 ) ! OLE+O=0.3000D+00*ALDX+...\n & + 4.8800D-01 * RXRAT( 142 ) ! OLE+OH=0.4880D+00*ALDX+...\n & + 2.7000D-01 * RXRAT( 143 ) ! OLE+O3=0.2700D+00*ALDX+...\n & + 3.7500D-01 * RXRAT( 144 ) ! OLE+NO3=0.3750D+00*ALDX+...\n & + 6.6000D-01 * RXRAT( 145 ) ! IOLE+O=0.6600D+00*ALDX+...\n & + 7.0000D-01 * RXRAT( 146 ) ! IOLE+OH=0.7000D+00*ALDX+...\n & + 4.4200D-01 * RXRAT( 147 ) ! IOLE+O3=0.4420D+00*ALDX+...\n & + 6.2500D-01 * RXRAT( 148 ) ! IOLE+NO3=0.6250D+00*ALDX+...\n & + 1.5000D-01 * RXRAT( 156 ) ! ISOP+O3=0.1500D+00*ALDX+...\n & + 2.9000D-02 * RXRAT( 162 ) ! ISPX+OH=0.2900D-01*ALDX+...\n & + 7.8000D-02 * RXRAT( 170 ) ! INTR+OH=0.7800D-01*ALDX+...\n & + 1.5000D-01 * RXRAT( 171 ) ! TERP+O=0.1500D+00*ALDX+...\n & + 4.7000D-01 * RXRAT( 172 ) ! TERP+OH=0.4700D+00*ALDX+...\n & + 2.1000D-01 * RXRAT( 173 ) ! TERP+O3=0.2100D+00*ALDX+...\n & + 4.7000D-01 * RXRAT( 174 ) ! TERP+NO3=0.4700D+00*ALDX+...\n & + 1.5000D-01 * RXRAT( 175 ) ! APIN+O=0.1500D+00*ALDX+...\n & + 4.7000D-01 * RXRAT( 176 ) ! APIN+OH=0.4700D+00*ALDX+...\n & + 2.1000D-01 * RXRAT( 177 ) ! APIN+O3=0.2100D+00*ALDX+...\n & + 4.7000D-01 * RXRAT( 178 ) ! APIN+NO3=0.4700D+00*ALDX+...\n & + 4.4000D-01 * RXRAT( 215 ) ! OPO3+HO2=0.4400D+00*ALDX+...\n & + RXRAT( 216 ) ! OPO3+C2O3=ALDX+XO2+MEO2+...\n & + 8.0000D-01 * RXRAT( 217 ) ! OPO3+RO2=0.8000D+00*ALDX+...\n & + 2.6800D-01 * RXRAT( 222 ) ! XPRP=0.2680D+00*ALDX+...\n & + 1.2600D-01 * RXRAT( 224 ) ! XPAR=0.1260D+00*ALDX+...\n & + 6.7000D-01 * RXRAT( 239 ) ! CL+OLE=0.6700D+00*ALDX+...\n & + 5.5000D-01 * RXRAT( 240 ) ! CL+IOLE=0.5500D+00*ALDX+...\n LOSS( ALDX ) = RXRAT( 109 ) ! ALDX+O=CXO3+OH\n & + RXRAT( 110 ) ! ALDX+OH=CXO3\n & + RXRAT( 111 ) ! ALDX+NO3=CXO3+HNO3\n & + RXRAT( 112 ) ! ALDX=ALD2+XO2H+RO2+CO+HO2\n & + RXRAT( 244 ) ! ALDX+CL=HCL+CXO3\n\n PROD( GLYD ) = 1.1000D-02 * RXRAT( 127 ) ! ETOH+OH=0.1100D-01*GLYD+...\n & + 2.2000D-01 * RXRAT( 138 ) ! ETH+OH=0.2200D+00*GLYD+RO2+...\n & + 2.6900D-01 * RXRAT( 158 ) ! ISPD+OH=0.2690D+00*GLYD+...\n & + 1.1300D-01 * RXRAT( 160 ) ! ISPD+NO3=0.1130D+00*GLYD+...\n & + 1.2800D-01 * RXRAT( 161 ) ! ISPD=0.1280D+00*GLYD+...\n & + 2.7500D-01 * RXRAT( 166 ) ! EPX2+HO2=0.2750D+00*GLYD+...\n & + 2.7500D-01 * RXRAT( 167 ) ! EPX2+NO=0.2750D+00*GLYD+...\n & + 2.2000D-01 * RXRAT( 168 ) ! EPX2+C2O3=0.2200D+00*GLYD+...\n & + 2.7500D-01 * RXRAT( 169 ) ! EPX2+RO2=0.2750D+00*GLYD+...\n & + 3.3100D-01 * RXRAT( 170 ) ! INTR+OH=0.3310D+00*GLYD+...\n LOSS( GLYD ) = RXRAT( 113 ) ! GLYD+OH=0.2000D+00*GLY+...\n & + RXRAT( 114 ) ! GLYD=0.7400D+00*FORM+...\n & + RXRAT( 115 ) ! GLYD+NO3=HNO3+C2O3\n\n PROD( GLY ) = 2.0000D-01 * RXRAT( 113 ) ! GLYD+OH=0.2000D+00*GLY+...\n & + 1.1000D-01 * RXRAT( 114 ) ! GLYD=0.1100D+00*GLY+...\n & + 7.0000D-01 * RXRAT( 136 ) ! ETHY+OH=0.7000D+00*GLY+...\n & + 7.5000D-02 * RXRAT( 143 ) ! OLE+O3=0.7500D-01*GLY+...\n & + 2.4000D-01 * RXRAT( 147 ) ! IOLE+O3=0.2400D+00*GLY+...\n & + 1.7000D-01 * RXRAT( 159 ) ! ISPD+O3=0.1700D+00*GLY+...\n & + 2.7500D-01 * RXRAT( 166 ) ! EPX2+HO2=0.2750D+00*GLY+...\n & + 2.7500D-01 * RXRAT( 167 ) ! EPX2+NO=0.2750D+00*GLY+...\n & + 2.2000D-01 * RXRAT( 168 ) ! EPX2+C2O3=0.2200D+00*GLY+...\n & + 2.7500D-01 * RXRAT( 169 ) ! EPX2+RO2=0.2750D+00*GLY+...\n & + 9.1800D-01 * RXRAT( 180 ) ! BZO2+NO=0.9180D+00*GLY+...\n & + RXRAT( 181 ) ! BZO2+C2O3=GLY+OPEN+HO2+...\n & + RXRAT( 183 ) ! BZO2+RO2=GLY+OPEN+HO2+RO2\n & + 4.1700D-01 * RXRAT( 185 ) ! TO2+NO=0.4170D+00*GLY+...\n & + 4.8000D-01 * RXRAT( 186 ) ! TO2+C2O3=0.4800D+00*GLY+...\n & + 4.8000D-01 * RXRAT( 188 ) ! TO2+RO2=0.4800D+00*GLY+...\n & + 2.2100D-01 * RXRAT( 191 ) ! XLO2+NO=0.2210D+00*GLY+...\n & + 2.6000D-01 * RXRAT( 193 ) ! XLO2+C2O3=0.2600D+00*GLY+...\n & + 2.6000D-01 * RXRAT( 194 ) ! XLO2+RO2=0.2600D+00*GLY+...\n & + 2.5000D-02 * RXRAT( 195 ) ! CRES+OH=0.2500D-01*GLY+...\n & + 2.4000D-01 * RXRAT( 196 ) ! CRES+NO3=0.2400D+00*GLY+...\n & + 4.0000D-01 * RXRAT( 202 ) ! XOPN=0.4000D+00*GLY+XO2H+...\n & + 4.0000D-01 * RXRAT( 203 ) ! XOPN+OH=0.4000D+00*GLY+...\n & + 4.0000D-01 * RXRAT( 207 ) ! OPEN+OH=0.4000D+00*GLY+...\n & + 1.4000D+00 * RXRAT( 208 ) ! OPEN+O3=0.1400D+01*GLY+...\n & + 5.0000D-01 * RXRAT( 212 ) ! OPO3+NO=0.5000D+00*GLY+NO2+...\n & + 5.0000D-01 * RXRAT( 218 ) ! OPAN+OH=0.5000D+00*GLY+...\n LOSS( GLY ) = RXRAT( 116 ) ! GLY+OH=0.1800D+01*CO+...\n & + RXRAT( 117 ) ! GLY=0.2000D+01*HO2+0.2000D+...\n & + RXRAT( 118 ) ! GLY+NO3=HNO3+0.1500D+01*CO+...\n & + RXRAT( 281 ) ! GLY=AGLYJ\n\n PROD( MGLY ) = 7.5000D-02 * RXRAT( 143 ) ! OLE+O3=0.7500D-01*MGLY+...\n & + 6.0000D-02 * RXRAT( 147 ) ! IOLE+O3=0.6000D-01*MGLY+...\n & + 1.1500D-01 * RXRAT( 158 ) ! ISPD+OH=0.1150D+00*MGLY+...\n & + 5.3100D-01 * RXRAT( 159 ) ! ISPD+O3=0.5310D+00*MGLY+...\n & + 1.1300D-01 * RXRAT( 160 ) ! ISPD+NO3=0.1130D+00*MGLY+...\n & + 2.7500D-01 * RXRAT( 166 ) ! EPX2+HO2=0.2750D+00*MGLY+...\n & + 2.7500D-01 * RXRAT( 167 ) ! EPX2+NO=0.2750D+00*MGLY+...\n & + 2.2000D-01 * RXRAT( 168 ) ! EPX2+C2O3=0.2200D+00*MGLY+...\n & + 2.7500D-01 * RXRAT( 169 ) ! EPX2+RO2=0.2750D+00*MGLY+...\n & + 4.4300D-01 * RXRAT( 185 ) ! TO2+NO=0.4430D+00*MGLY+...\n & + 5.2000D-01 * RXRAT( 186 ) ! TO2+C2O3=0.5200D+00*MGLY+...\n & + 5.2000D-01 * RXRAT( 188 ) ! TO2+RO2=0.5200D+00*MGLY+...\n & + 6.7500D-01 * RXRAT( 191 ) ! XLO2+NO=0.6750D+00*MGLY+...\n & + 7.7000D-01 * RXRAT( 193 ) ! XLO2+C2O3=0.7700D+00*MGLY+...\n & + 7.7000D-01 * RXRAT( 194 ) ! XLO2+RO2=0.7700D+00*MGLY+...\n & + 2.4000D-01 * RXRAT( 196 ) ! CRES+NO3=0.2400D+00*MGLY+...\n & + RXRAT( 203 ) ! XOPN+OH=MGLY+0.4000D+...\n & + 1.2000D+00 * RXRAT( 204 ) ! XOPN+O3=0.1200D+01*MGLY+...\n & + 2.5000D-01 * RXRAT( 205 ) ! XOPN+NO3=0.2500D+00*MGLY+...\n & + 2.4000D-01 * RXRAT( 208 ) ! OPEN+O3=0.2400D+00*MGLY+...\n LOSS( MGLY ) = RXRAT( 119 ) ! MGLY=C2O3+HO2+CO\n & + RXRAT( 120 ) ! MGLY+NO3=HNO3+C2O3+XO2+RO2\n & + RXRAT( 121 ) ! MGLY+OH=C2O3+CO\n & + RXRAT( 282 ) ! MGLY=AGLYJ\n\n PROD( ETHA ) = 0.0D0\n LOSS( ETHA ) = RXRAT( 125 ) ! ETHA+OH=0.9910D+00*ALD2+...\n & + RXRAT( 237 ) ! ETHA+CL=HCL+0.9910D+...\n\n PROD( ETOH ) = 0.0D0\n LOSS( ETOH ) = RXRAT( 127 ) ! ETOH+OH=0.9500D+00*ALD2+...\n & + RXRAT( 246 ) ! ETOH+CL=HCL+HO2+ALD2\n\n PROD( KET ) = 2.0000D-01 * RXRAT( 133 ) ! ROR=0.2000D+00*KET+0.4200D+...\n & + RXRAT( 134 ) ! ROR=KET+HO2\n LOSS( KET ) = RXRAT( 128 ) ! KET=0.5000D+00*ALD2+...\n\n PROD( PAR ) = 2.0000D-01 * RXRAT( 141 ) ! OLE+O=0.2000D+00*PAR+...\n & + 1.0000D-01 * RXRAT( 145 ) ! IOLE+O=0.1000D+00*PAR+...\n & + 2.9000D-01 * RXRAT( 147 ) ! IOLE+O3=0.2900D+00*PAR+...\n & + RXRAT( 148 ) ! IOLE+NO3=PAR+0.5000D+...\n & + 2.5000D-01 * RXRAT( 150 ) ! ISOP+O=0.2500D+00*PAR+...\n & + 3.5000D-01 * RXRAT( 156 ) ! ISOP+O3=0.3500D+00*PAR+...\n & + 1.1700D-01 * RXRAT( 158 ) ! ISPD+OH=0.1170D+00*PAR+...\n & + 7.1700D-01 * RXRAT( 160 ) ! ISPD+NO3=0.7170D+00*PAR+...\n & + 2.4000D-01 * RXRAT( 161 ) ! ISPD=0.2400D+00*PAR+...\n & + 2.1750D+00 * RXRAT( 166 ) ! EPX2+HO2=0.2175D+01*PAR+...\n & + 2.1750D+00 * RXRAT( 167 ) ! EPX2+NO=0.2175D+01*PAR+...\n & + 1.7400D+00 * RXRAT( 168 ) ! EPX2+C2O3=0.1740D+01*PAR+...\n & + 2.1750D+00 * RXRAT( 169 ) ! EPX2+RO2=0.2175D+01*PAR+...\n & + 2.7000D+00 * RXRAT( 170 ) ! INTR+OH=0.2700D+01*PAR+...\n & + 5.1200D+00 * RXRAT( 171 ) ! TERP+O=0.5120D+01*PAR+...\n & + 1.6600D+00 * RXRAT( 172 ) ! TERP+OH=0.1660D+01*PAR+...\n & + 7.0000D+00 * RXRAT( 173 ) ! TERP+O3=0.7000D+01*PAR+...\n & + 5.1200D+00 * RXRAT( 175 ) ! APIN+O=0.5120D+01*PAR+...\n & + 1.6600D+00 * RXRAT( 176 ) ! APIN+OH=0.1660D+01*PAR+...\n & + 7.0000D+00 * RXRAT( 177 ) ! APIN+O3=0.7000D+01*PAR+...\n & + 2.6800D-01 * RXRAT( 222 ) ! XPRP=0.2680D+00*PAR+...\n & + 3.0000D-01 * RXRAT( 240 ) ! CL+IOLE=0.3000D+00*PAR+...\n LOSS( PAR ) = 2.5000D+00 * RXRAT( 128 ) ! KET=-0.2500D+01*PAR+...\n & + RXRAT( 132 ) ! PAR+OH=XPAR\n & + 2.7000D+00 * RXRAT( 133 ) ! ROR=-0.2700D+01*PAR+...\n & + 7.3000D-01 * RXRAT( 142 ) ! OLE+OH=-0.7300D+00*PAR+...\n & + 7.9000D-01 * RXRAT( 143 ) ! OLE+O3=-0.7900D+00*PAR+...\n & + RXRAT( 144 ) ! OLE+NO3=-PAR+0.5000D+...\n & + 1.2600D-01 * RXRAT( 224 ) ! XPAR=-0.1260D+00*PAR+...\n & + RXRAT( 235 ) ! PAR+CL=HCL+XPAR\n & + RXRAT( 239 ) ! CL+OLE=-PAR+0.3300D+...\n\n PROD( ACET ) = 4.2000D-01 * RXRAT( 133 ) ! ROR=0.4200D+00*ACET+...\n & + 1.3700D-01 * RXRAT( 158 ) ! ISPD+OH=0.1370D+00*ACET+...\n & + 1.7000D-01 * RXRAT( 159 ) ! ISPD+O3=0.1700D+00*ACET+...\n & + 1.7000D-01 * RXRAT( 161 ) ! ISPD=0.1700D+00*ACET+...\n & + 7.3200D-01 * RXRAT( 222 ) ! XPRP=0.7320D+00*ACET+...\n & + RXRAT( 236 ) ! CL+PRPA=ACET+HCL+0.9700D+...\n LOSS( ACET ) = RXRAT( 129 ) ! ACET=0.3800D+00*CO+0.1380D+...\n & + RXRAT( 130 ) ! ACET+OH=FORM+C2O3+XO2+RO2\n\n PROD( PRPA ) = 0.0D0\n LOSS( PRPA ) = RXRAT( 131 ) ! PRPA+OH=XPRP\n & + RXRAT( 236 ) ! PRPA+CL=HCL+ACET+0.9700D+...\n\n PROD( XPRP ) = RXRAT( 131 ) ! PRPA+OH=XPRP\n LOSS( XPRP ) = RXRAT( 221 ) ! XPRP=XO2N+RO2\n & + RXRAT( 222 ) ! XPRP=0.7320D+00*ACET+...\n\n PROD( XPAR ) = RXRAT( 132 ) ! PAR+OH=XPAR\n & + RXRAT( 235 ) ! CL+PAR=XPAR+HCL\n LOSS( XPAR ) = RXRAT( 223 ) ! XPAR=XO2N+RO2\n & + RXRAT( 224 ) ! XPAR=0.1260D+00*ALDX+...\n\n PROD( ROR ) = 8.7400D-01 * RXRAT( 224 ) ! XPAR=0.8740D+00*ROR+...\n LOSS( ROR ) = 9.8000D-01 * RXRAT( 133 ) ! ROR=0.2000D-01*ROR+0.4200D+...\n & + RXRAT( 134 ) ! ROR=KET+HO2\n & + RXRAT( 135 ) ! ROR+NO2=NTR1\n\n PROD( ETHY ) = 0.0D0\n LOSS( ETHY ) = RXRAT( 136 ) ! ETHY+OH=0.7000D+00*GLY+...\n\n PROD( ETH ) = 0.0D0\n LOSS( ETH ) = RXRAT( 137 ) ! ETH+O=FORM+HO2+CO+0.7000D+...\n & + RXRAT( 138 ) ! ETH+OH=XO2H+RO2+0.1560D+...\n & + RXRAT( 139 ) ! ETH+O3=FORM+0.5100D+00*CO+...\n & + RXRAT( 140 ) ! ETH+NO3=0.5000D+00*NO2+...\n & + RXRAT( 238 ) ! ETH+CL=FMCL+0.2000D+01*XO2+...\n\n PROD( OLE ) = 2.4000D-01 * RXRAT( 161 ) ! ISPD=0.2400D+00*OLE+...\n & + 9.8000D-02 * RXRAT( 170 ) ! INTR+OH=0.9800D-01*OLE+...\n & + 3.0000D-01 * RXRAT( 240 ) ! CL+IOLE=0.3000D+00*OLE+...\n LOSS( OLE ) = RXRAT( 141 ) ! OLE+O=0.2000D+00*ALD2+...\n & + RXRAT( 142 ) ! OLE+OH=0.7810D+00*FORM+...\n & + RXRAT( 143 ) ! OLE+O3=0.2950D+00*ALD2+...\n & + RXRAT( 144 ) ! OLE+NO3=0.5000D+00*NO2+...\n & + RXRAT( 239 ) ! OLE+CL=FMCL+0.3300D+...\n\n PROD( IOLE ) = 2.9000D-02 * RXRAT( 162 ) ! ISPX+OH=0.2900D-01*IOLE+...\n LOSS( IOLE ) = RXRAT( 145 ) ! IOLE+O=0.1240D+01*ALD2+...\n & + RXRAT( 146 ) ! IOLE+OH=0.1300D+01*ALD2+...\n & + RXRAT( 147 ) ! IOLE+O3=0.7320D+00*ALD2+...\n & + RXRAT( 148 ) ! IOLE+NO3=0.5000D+00*NO2+...\n & + RXRAT( 240 ) ! IOLE+CL=0.3000D+00*HCL+...\n\n PROD( ISOP ) = 0.0D0\n LOSS( ISOP ) = RXRAT( 149 ) ! ISOP+OH=ISO2+RO2+ISOPRXN\n & + RXRAT( 150 ) ! ISOP+O=0.7500D+00*ISPD+...\n & + RXRAT( 156 ) ! ISOP+O3=0.6000D+00*FORM+...\n & + RXRAT( 157 ) ! ISOP+NO3=0.3500D+00*NO2+...\n & + RXRAT( 241 ) ! ISOP+CL=FMCL+ISPD+0.9600D+...\n\n PROD( ISO2 ) = RXRAT( 149 ) ! ISOP+OH=ISO2+RO2+ISOPRXN\n & + 6.7000D-02 * RXRAT( 162 ) ! ISPX+OH=0.6700D-01*ISO2+...\n LOSS( ISO2 ) = RXRAT( 151 ) ! ISO2+NO=0.1000D+00*INTR+...\n & + RXRAT( 152 ) ! ISO2+HO2=0.8800D+00*ISPX+...\n & + RXRAT( 153 ) ! ISO2+C2O3=0.5980D+00*FORM+...\n & + RXRAT( 154 ) ! ISO2+RO2=0.5980D+00*FORM+...\n & + RXRAT( 155 ) ! ISO2=HO2+HPLD\n\n PROD( ISOPRXN ) = RXRAT( 149 ) ! ISOP+OH=ISOPRXN+RO2+ISO2\n & + RXRAT( 157 ) ! ISOP+NO3=ISOPRXN+0.6500D+...\n LOSS( ISOPRXN ) = 0.0D0\n\n PROD( ISPD ) = 7.5000D-01 * RXRAT( 150 ) ! ISOP+O=0.7500D+00*ISPD+...\n & + 9.0000D-01 * RXRAT( 151 ) ! ISO2+NO=0.9000D+00*ISPD+...\n & + 1.2000D-01 * RXRAT( 152 ) ! ISO2+HO2=0.1200D+00*ISPD+...\n & + RXRAT( 153 ) ! ISO2+C2O3=ISPD+0.5980D+...\n & + RXRAT( 154 ) ! ISO2+RO2=ISPD+0.5980D+...\n & + 6.5000D-01 * RXRAT( 156 ) ! ISOP+O3=0.6500D+00*ISPD+...\n & + 3.5000D-01 * RXRAT( 157 ) ! ISOP+NO3=0.3500D+00*ISPD+...\n & + RXRAT( 163 ) ! HPLD=ISPD+OH\n & + RXRAT( 164 ) ! HPLD+NO3=ISPD+HNO3\n & + RXRAT( 241 ) ! CL+ISOP=ISPD+FMCL+0.9600D+...\n LOSS( ISPD ) = RXRAT( 158 ) ! ISPD+OH=0.2200D-01*XO2N+...\n & + RXRAT( 159 ) ! ISPD+O3=0.4000D-01*ALD2+...\n & + RXRAT( 160 ) ! ISPD+NO3=0.7170D+00*HNO3+...\n & + RXRAT( 161 ) ! ISPD=0.7600D+00*HO2+...\n\n PROD( INTR ) = 1.0000D-01 * RXRAT( 151 ) ! ISO2+NO=0.1000D+00*INTR+...\n LOSS( INTR ) = 8.9600D-01 * RXRAT( 170 ) ! INTR+OH=0.1040D+00*INTR+...\n\n PROD( ISPX ) = 8.8000D-01 * RXRAT( 152 ) ! ISO2+HO2=0.8800D+00*ISPX+...\n LOSS( ISPX ) = RXRAT( 162 ) ! ISPX+OH=0.9040D+00*EPOX+...\n\n PROD( HPLD ) = RXRAT( 155 ) ! ISO2=HPLD+HO2\n LOSS( HPLD ) = RXRAT( 163 ) ! HPLD=OH+ISPD\n & + RXRAT( 164 ) ! HPLD+NO3=HNO3+ISPD\n\n PROD( OPO3 ) = 4.5700D-01 * RXRAT( 158 ) ! ISPD+OH=0.4570D+00*OPO3+...\n & + 4.8000D-01 * RXRAT( 196 ) ! CRES+NO3=0.4800D+00*OPO3+...\n & + RXRAT( 206 ) ! OPEN=OPO3+HO2+CO\n & + 6.0000D-01 * RXRAT( 207 ) ! OPEN+OH=0.6000D+00*OPO3+...\n & + RXRAT( 209 ) ! OPEN+NO3=OPO3+HNO3\n & + RXRAT( 214 ) ! OPAN=OPO3+NO2\n LOSS( OPO3 ) = RXRAT( 212 ) ! OPO3+NO=NO2+0.5000D+00*GLY+...\n & + RXRAT( 213 ) ! OPO3+NO2=OPAN\n & + RXRAT( 215 ) ! OPO3+HO2=0.4100D+00*PACD+...\n & + RXRAT( 216 ) ! OPO3+C2O3=MEO2+XO2+ALDX+...\n & + RXRAT( 217 ) ! OPO3+RO2=0.8000D+00*XO2H+...\n\n PROD( EPOX ) = 9.0400D-01 * RXRAT( 162 ) ! ISPX+OH=0.9040D+00*EPOX+...\n LOSS( EPOX ) = RXRAT( 165 ) ! EPOX+OH=EPX2+RO2\n & + RXRAT( 278 ) ! EPOX=IEPOXP\n\n PROD( EPX2 ) = RXRAT( 165 ) ! EPOX+OH=EPX2+RO2\n LOSS( EPX2 ) = RXRAT( 166 ) ! EPX2+HO2=0.2750D+00*GLYD+...\n & + RXRAT( 167 ) ! EPX2+NO=0.2750D+00*GLYD+...\n & + RXRAT( 168 ) ! EPX2+C2O3=0.2200D+00*GLYD+...\n & + RXRAT( 169 ) ! EPX2+RO2=0.2750D+00*GLYD+...\n\n PROD( TERP ) = 0.0D0\n LOSS( TERP ) = RXRAT( 171 ) ! TERP+O=0.1500D+00*ALDX+...\n & + RXRAT( 172 ) ! TERP+OH=0.7500D+00*XO2H+...\n & + RXRAT( 173 ) ! TERP+O3=0.5700D+00*OH+...\n & + RXRAT( 174 ) ! TERP+NO3=0.4700D+00*NO2+...\n\n PROD( TRPRXN ) = RXRAT( 171 ) ! TERP+O=TRPRXN+0.5120D+...\n & + RXRAT( 172 ) ! TERP+OH=TRPRXN+0.5000D+...\n & + RXRAT( 173 ) ! TERP+O3=TRPRXN+0.7000D-...\n & + RXRAT( 175 ) ! APIN+O=TRPRXN+0.5120D+...\n & + RXRAT( 176 ) ! APIN+OH=TRPRXN+0.5000D+...\n & + RXRAT( 177 ) ! APIN+O3=TRPRXN+0.7000D-...\n LOSS( TRPRXN ) = 0.0D0\n\n PROD( TERPNRO2 ) = RXRAT( 174 ) ! TERP+NO3=TERPNRO2+0.2800D+...\n LOSS( TERPNRO2 ) = RXRAT( 283 ) ! TERPNRO2+NO=NO+0.6880D+...\n & + RXRAT( 284 ) ! TERPNRO2+HO2=HO2+MTNO3\n & + RXRAT( 285 ) ! TERPNRO2+NO3=NO3+0.4220D+...\n & + RXRAT( 286 ) ! TERPNRO2+RO2=RO2+0.7110D+...\n\n PROD( APIN ) = 0.0D0\n LOSS( APIN ) = RXRAT( 175 ) ! APIN+O=0.1500D+00*ALDX+...\n & + RXRAT( 176 ) ! APIN+OH=0.7500D+00*XO2H+...\n & + RXRAT( 177 ) ! APIN+O3=0.5700D+00*OH+...\n & + RXRAT( 178 ) ! APIN+NO3=0.4700D+00*NO2+...\n\n PROD( BENZENE ) = 0.0D0\n LOSS( BENZENE ) = RXRAT( 179 ) ! BENZENE+OH=0.5300D+00*CRES+...\n\n PROD( CRES ) = 5.3000D-01 * RXRAT( 179 ) ! BENZENE+OH=0.5300D+00*CRES+...\n & + 1.8000D-01 * RXRAT( 184 ) ! TOL+OH=0.1800D+00*CRES+...\n & + 1.5500D-01 * RXRAT( 189 ) ! XYLMN+OH=0.1550D+00*CRES+...\n & + 1.5500D-01 * RXRAT( 190 ) ! NAPH+OH=0.1550D+00*CRES+...\n & + RXRAT( 198 ) ! CRO+HO2=CRES\n & + 1.8000D-01 * RXRAT( 248 ) ! CL+TOL=0.1800D+00*CRES+HCL+...\n & + 1.5500D-01 * RXRAT( 249 ) ! CL+XYLMN=0.1550D+00*CRES+...\n & + 1.5500D-01 * RXRAT( 250 ) ! CL+NAPH=0.1550D+00*CRES+...\n LOSS( CRES ) = RXRAT( 195 ) ! CRES+OH=0.2500D-01*GLY+...\n & + RXRAT( 196 ) ! CRES+NO3=0.3000D+00*CRO+...\n\n PROD( BZO2 ) = 3.5200D-01 * RXRAT( 179 ) ! BENZENE+OH=0.3520D+00*BZO2+...\n LOSS( BZO2 ) = RXRAT( 180 ) ! BZO2+NO=0.9180D+00*NO2+...\n & + RXRAT( 181 ) ! BZO2+C2O3=GLY+OPEN+HO2+...\n & + RXRAT( 182 ) ! BZO2+HO2=\n & + RXRAT( 183 ) ! BZO2+RO2=GLY+OPEN+HO2+RO2\n\n PROD( OPEN ) = 1.1800D-01 * RXRAT( 179 ) ! BENZENE+OH=0.1180D+00*OPEN+...\n & + 9.1800D-01 * RXRAT( 180 ) ! BZO2+NO=0.9180D+00*OPEN+...\n & + RXRAT( 181 ) ! BZO2+C2O3=OPEN+GLY+HO2+...\n & + RXRAT( 183 ) ! BZO2+RO2=OPEN+GLY+HO2+RO2\n & + 1.0000D-01 * RXRAT( 184 ) ! TOL+OH=0.1000D+00*OPEN+...\n & + 6.6000D-01 * RXRAT( 185 ) ! TO2+NO=0.6600D+00*OPEN+...\n & + 7.7000D-01 * RXRAT( 186 ) ! TO2+C2O3=0.7700D+00*OPEN+...\n & + 7.7000D-01 * RXRAT( 188 ) ! TO2+RO2=0.7700D+00*OPEN+...\n & + 3.0000D-01 * RXRAT( 191 ) ! XLO2+NO=0.3000D+00*OPEN+...\n & + 3.5000D-01 * RXRAT( 193 ) ! XLO2+C2O3=0.3500D+00*OPEN+...\n & + 3.5000D-01 * RXRAT( 194 ) ! XLO2+RO2=0.3500D+00*OPEN+...\n & + 2.5000D-02 * RXRAT( 195 ) ! CRES+OH=0.2500D-01*OPEN+...\n & + RXRAT( 201 ) ! CRON=OPEN+HO2+FORM+HONO\n & + 2.5000D-01 * RXRAT( 205 ) ! XOPN+NO3=0.2500D+00*OPEN+...\n & + 1.0000D-01 * RXRAT( 248 ) ! CL+TOL=0.1000D+00*OPEN+...\n LOSS( OPEN ) = RXRAT( 206 ) ! OPEN=OPO3+HO2+CO\n & + RXRAT( 207 ) ! OPEN+OH=0.6000D+00*OPO3+...\n & + RXRAT( 208 ) ! OPEN+O3=0.1400D+01*GLY+...\n & + RXRAT( 209 ) ! OPEN+NO3=OPO3+HNO3\n\n PROD( BENZRO2 ) = RXRAT( 179 ) ! BENZENE+OH=BENZRO2+0.3520D+...\n LOSS( BENZRO2 ) = RXRAT( 260 ) ! BENZRO2+NO=NO+0.3400D-...\n & + RXRAT( 261 ) ! BENZRO2+HO2=HO2+0.1460D+...\n\n PROD( TOL ) = 0.0D0\n LOSS( TOL ) = RXRAT( 184 ) ! TOL+OH=0.1800D+00*CRES+...\n & + RXRAT( 248 ) ! TOL+CL=HCL+0.1800D+00*CRES+...\n\n PROD( TO2 ) = 6.5000D-01 * RXRAT( 184 ) ! TOL+OH=0.6500D+00*TO2+...\n & + 6.5000D-01 * RXRAT( 248 ) ! CL+TOL=0.6500D+00*TO2+...\n LOSS( TO2 ) = RXRAT( 185 ) ! TO2+NO=0.8600D+00*NO2+...\n & + RXRAT( 186 ) ! TO2+C2O3=0.4800D+00*GLY+...\n & + RXRAT( 187 ) ! TO2+HO2=\n & + RXRAT( 188 ) ! TO2+RO2=0.4800D+00*GLY+...\n\n PROD( TOLRO2 ) = RXRAT( 184 ) ! TOL+OH=TOLRO2+0.6500D+...\n & + RXRAT( 248 ) ! CL+TOL=TOLRO2+0.1800D+...\n LOSS( TOLRO2 ) = RXRAT( 256 ) ! TOLRO2+NO=NO+0.1600D-...\n & + RXRAT( 257 ) ! TOLRO2+HO2=HO2+0.1400D+...\n\n PROD( XOPN ) = 2.0000D-01 * RXRAT( 185 ) ! TO2+NO=0.2000D+00*XOPN+...\n & + 2.3000D-01 * RXRAT( 186 ) ! TO2+C2O3=0.2300D+00*XOPN+...\n & + 2.3000D-01 * RXRAT( 188 ) ! TO2+RO2=0.2300D+00*XOPN+...\n & + 2.4400D-01 * RXRAT( 189 ) ! XYLMN+OH=0.2440D+00*XOPN+...\n & + 2.4400D-01 * RXRAT( 190 ) ! NAPH+OH=0.2440D+00*XOPN+...\n & + 5.6000D-01 * RXRAT( 191 ) ! XLO2+NO=0.5600D+00*XOPN+...\n & + 6.5000D-01 * RXRAT( 193 ) ! XLO2+C2O3=0.6500D+00*XOPN+...\n & + 6.5000D-01 * RXRAT( 194 ) ! XLO2+RO2=0.6500D+00*XOPN+...\n & + 2.4400D-01 * RXRAT( 249 ) ! CL+XYLMN=0.2440D+00*XOPN+...\n & + 2.4400D-01 * RXRAT( 250 ) ! CL+NAPH=0.2440D+00*XOPN+...\n LOSS( XOPN ) = RXRAT( 202 ) ! XOPN=0.4000D+00*GLY+XO2H+...\n & + RXRAT( 203 ) ! XOPN+OH=MGLY+0.4000D+...\n & + RXRAT( 204 ) ! XOPN+O3=0.1200D+01*MGLY+...\n & + RXRAT( 205 ) ! XOPN+NO3=0.5000D+00*NO2+...\n\n PROD( XYLMN ) = 0.0D0\n LOSS( XYLMN ) = RXRAT( 189 ) ! XYLMN+OH=0.1550D+00*CRES+...\n & + RXRAT( 249 ) ! XYLMN+CL=HCL+0.1550D+...\n\n PROD( XLO2 ) = 5.4400D-01 * RXRAT( 189 ) ! XYLMN+OH=0.5440D+00*XLO2+...\n & + 5.4400D-01 * RXRAT( 190 ) ! NAPH+OH=0.5440D+00*XLO2+...\n & + 5.4400D-01 * RXRAT( 249 ) ! CL+XYLMN=0.5440D+00*XLO2+...\n & + 5.4400D-01 * RXRAT( 250 ) ! CL+NAPH=0.5440D+00*XLO2+...\n LOSS( XLO2 ) = RXRAT( 191 ) ! XLO2+NO=0.8600D+00*NO2+...\n & + RXRAT( 192 ) ! XLO2+HO2=\n & + RXRAT( 193 ) ! XLO2+C2O3=0.2600D+00*GLY+...\n & + RXRAT( 194 ) ! XLO2+RO2=0.2600D+00*GLY+...\n\n PROD( XYLRO2 ) = RXRAT( 189 ) ! XYLMN+OH=XYLRO2+0.5440D+...\n & + RXRAT( 249 ) ! CL+XYLMN=XYLRO2+0.1550D+...\n LOSS( XYLRO2 ) = RXRAT( 258 ) ! XYLRO2+NO=NO+0.1500D-...\n & + RXRAT( 259 ) ! XYLRO2+HO2=HO2+0.1930D+...\n\n PROD( NAPH ) = 0.0D0\n LOSS( NAPH ) = RXRAT( 190 ) ! NAPH+OH=0.1550D+00*CRES+...\n & + RXRAT( 250 ) ! NAPH+CL=HCL+0.1550D+...\n\n PROD( PAHRO2 ) = RXRAT( 190 ) ! NAPH+OH=PAHRO2+0.5440D+...\n & + RXRAT( 250 ) ! CL+NAPH=PAHRO2+0.1550D+...\n LOSS( PAHRO2 ) = RXRAT( 265 ) ! PAHRO2+NO=NO+0.2800D-...\n & + RXRAT( 266 ) ! PAHRO2+HO2=HO2+0.4730D+...\n\n PROD( CRO ) = 2.0000D-01 * RXRAT( 195 ) ! CRES+OH=0.2000D+00*CRO+...\n & + 3.0000D-01 * RXRAT( 196 ) ! CRES+NO3=0.3000D+00*CRO+...\n & + 5.0000D-01 * RXRAT( 199 ) ! CRON+OH=0.5000D+00*CRO+NTR2\n & + 5.0000D-01 * RXRAT( 200 ) ! CRON+NO3=0.5000D+00*CRO+...\n & + 5.0000D-01 * RXRAT( 210 ) ! CAT1+OH=0.5000D+00*CRO+...\n & + RXRAT( 211 ) ! CAT1+NO3=CRO+HNO3\n LOSS( CRO ) = RXRAT( 197 ) ! CRO+NO2=CRON\n & + RXRAT( 198 ) ! CRO+HO2=CRES\n\n PROD( CAT1 ) = 7.3200D-01 * RXRAT( 195 ) ! CRES+OH=0.7320D+00*CAT1+...\n LOSS( CAT1 ) = RXRAT( 210 ) ! CAT1+OH=0.1400D+00*FORM+...\n & + RXRAT( 211 ) ! CAT1+NO3=CRO+HNO3\n\n PROD( CRON ) = RXRAT( 197 ) ! CRO+NO2=CRON\n LOSS( CRON ) = RXRAT( 199 ) ! CRON+OH=NTR2+0.5000D+00*CRO\n & + RXRAT( 200 ) ! CRON+NO3=NTR2+0.5000D+...\n & + RXRAT( 201 ) ! CRON=HONO+HO2+FORM+OPEN\n\n PROD( OPAN ) = RXRAT( 213 ) ! OPO3+NO2=OPAN\n LOSS( OPAN ) = RXRAT( 214 ) ! OPAN=OPO3+NO2\n & + RXRAT( 218 ) ! OPAN+OH=0.5000D+00*NO2+...\n\n PROD( ECH4 ) = 0.0D0\n LOSS( ECH4 ) = RXRAT( 220 ) ! ECH4+OH=MEO2+RO2\n\n PROD( CL2 ) = 3.0000D-01 * RXRAT( 228 ) ! CLO+CLO=0.3000D+00*CL2+...\n LOSS( CL2 ) = RXRAT( 225 ) ! CL2=0.2000D+01*CL\n\n PROD( CL ) = 2.0000D+00 * RXRAT( 225 ) ! CL2=0.2000D+01*CL\n & + RXRAT( 226 ) ! HOCL=CL+OH\n & + 1.4000D+00 * RXRAT( 228 ) ! CLO+CLO=0.1400D+01*CL+...\n & + RXRAT( 229 ) ! CLO+NO=CL+NO2\n & + RXRAT( 231 ) ! CLO+MEO2=CL+FORM+HO2\n & + RXRAT( 232 ) ! OH+FMCL=CL+CO\n & + RXRAT( 233 ) ! FMCL=CL+CO+HO2\n & + RXRAT( 247 ) ! HCL+OH=CL\n & + RXRAT( 251 ) ! CLNO2=CL+NO2\n & + RXRAT( 254 ) ! CLNO3=CL+NO3\n LOSS( CL ) = RXRAT( 227 ) ! CL+O3=CLO\n & + RXRAT( 234 ) ! CL=HCL+MEO2+RO2\n & + RXRAT( 235 ) ! CL+PAR=HCL+XPAR\n & + RXRAT( 236 ) ! CL+PRPA=HCL+ACET+0.9700D+...\n & + RXRAT( 237 ) ! CL+ETHA=HCL+0.9910D+...\n & + RXRAT( 238 ) ! CL+ETH=FMCL+0.2000D+01*XO2+...\n & + RXRAT( 239 ) ! CL+OLE=FMCL+0.3300D+...\n & + RXRAT( 240 ) ! CL+IOLE=0.3000D+00*HCL+...\n & + RXRAT( 241 ) ! CL+ISOP=FMCL+ISPD+0.9600D+...\n & + RXRAT( 242 ) ! CL+FORM=HCL+HO2+CO\n & + RXRAT( 243 ) ! CL+ALD2=HCL+C2O3\n & + RXRAT( 244 ) ! CL+ALDX=HCL+CXO3\n & + RXRAT( 245 ) ! CL+MEOH=HCL+HO2+FORM\n & + RXRAT( 246 ) ! CL+ETOH=HCL+HO2+ALD2\n & + RXRAT( 248 ) ! CL+TOL=HCL+0.1800D+00*CRES+...\n & + RXRAT( 249 ) ! CL+XYLMN=HCL+0.1550D+...\n & + RXRAT( 250 ) ! CL+NAPH=HCL+0.1550D+...\n\n PROD( HOCL ) = RXRAT( 230 ) ! CLO+HO2=HOCL\n & + RXRAT( 255 ) ! CLNO3=HOCL+HNO3\n LOSS( HOCL ) = RXRAT( 226 ) ! HOCL=OH+CL\n\n PROD( CLO ) = RXRAT( 227 ) ! CL+O3=CLO\n & + RXRAT( 253 ) ! CLNO3=CLO+NO2\n LOSS( CLO ) = 2.0000D+00 * RXRAT( 228 ) ! CLO+CLO=0.3000D+00*CL2+...\n & + RXRAT( 229 ) ! CLO+NO=CL+NO2\n & + RXRAT( 230 ) ! CLO+HO2=HOCL\n & + RXRAT( 231 ) ! CLO+MEO2=CL+FORM+HO2\n & + RXRAT( 252 ) ! CLO+NO2=CLNO3\n\n PROD( FMCL ) = RXRAT( 238 ) ! CL+ETH=FMCL+0.2000D+01*XO2+...\n & + RXRAT( 239 ) ! CL+OLE=FMCL+0.3300D+...\n & + 7.0000D-01 * RXRAT( 240 ) ! CL+IOLE=0.7000D+00*FMCL+...\n & + RXRAT( 241 ) ! CL+ISOP=FMCL+ISPD+0.9600D+...\n LOSS( FMCL ) = RXRAT( 232 ) ! FMCL+OH=CL+CO\n & + RXRAT( 233 ) ! FMCL=CL+CO+HO2\n\n PROD( HCL ) = RXRAT( 234 ) ! CL=HCL+MEO2+RO2\n & + RXRAT( 235 ) ! CL+PAR=HCL+XPAR\n & + RXRAT( 236 ) ! CL+PRPA=HCL+ACET+0.9700D+...\n & + RXRAT( 237 ) ! CL+ETHA=HCL+0.9910D+...\n & + 3.0000D-01 * RXRAT( 240 ) ! CL+IOLE=0.3000D+00*HCL+...\n & + RXRAT( 242 ) ! CL+FORM=HCL+HO2+CO\n & + RXRAT( 243 ) ! CL+ALD2=HCL+C2O3\n & + RXRAT( 244 ) ! CL+ALDX=HCL+CXO3\n & + RXRAT( 245 ) ! CL+MEOH=HCL+HO2+FORM\n & + RXRAT( 246 ) ! CL+ETOH=HCL+HO2+ALD2\n & + RXRAT( 248 ) ! CL+TOL=HCL+0.1800D+00*CRES+...\n & + RXRAT( 249 ) ! CL+XYLMN=HCL+0.1550D+...\n & + RXRAT( 250 ) ! CL+NAPH=HCL+0.1550D+...\n LOSS( HCL ) = RXRAT( 247 ) ! HCL+OH=CL\n\n PROD( CLNO2 ) = RXRAT( 273 ) ! H2NO3PIJ+ACLI=CLNO2\n & + RXRAT( 274 ) ! H2NO3PIJ+ACLJ=CLNO2\n & + RXRAT( 275 ) ! H2NO3PK+ACLK=CLNO2\n LOSS( CLNO2 ) = RXRAT( 251 ) ! CLNO2=CL+NO2\n\n PROD( CLNO3 ) = RXRAT( 252 ) ! CLO+NO2=CLNO3\n LOSS( CLNO3 ) = RXRAT( 253 ) ! CLNO3=CLO+NO2\n & + RXRAT( 254 ) ! CLNO3=CL+NO3\n & + RXRAT( 255 ) ! CLNO3=HOCL+HNO3\n\n PROD( SVAVB2 ) = 1.6000D-02 * RXRAT( 256 ) ! TOLRO2+NO=0.1600D-...\n & + 1.5000D-02 * RXRAT( 258 ) ! XYLRO2+NO=0.1500D-...\n & + 3.4000D-02 * RXRAT( 260 ) ! BENZRO2+NO=0.3400D-...\n & + 2.8000D-02 * RXRAT( 265 ) ! PAHRO2+NO=0.2800D-...\n & + 6.0000D-03 * RXRAT( 267 ) ! SOAALK+OH=0.6000D-...\n LOSS( SVAVB2 ) = 0.0D0\n\n PROD( SVAVB3 ) = 5.1000D-02 * RXRAT( 256 ) ! TOLRO2+NO=0.5100D-...\n & + 2.3000D-02 * RXRAT( 258 ) ! XYLRO2+NO=0.2300D-...\n & + 2.2500D-01 * RXRAT( 265 ) ! PAHRO2+NO=0.2250D+...\n & + 5.2000D-02 * RXRAT( 267 ) ! SOAALK+OH=0.5200D-...\n LOSS( SVAVB3 ) = 0.0D0\n\n PROD( SVAVB4 ) = 4.7000D-02 * RXRAT( 256 ) ! TOLRO2+NO=0.4700D-...\n & + 6.0000D-02 * RXRAT( 258 ) ! XYLRO2+NO=0.6000D-...\n & + 3.9200D-01 * RXRAT( 260 ) ! BENZRO2+NO=0.3920D+...\n & + 1.9100D-01 * RXRAT( 265 ) ! PAHRO2+NO=0.1910D+...\n & + 8.1000D-02 * RXRAT( 267 ) ! SOAALK+OH=0.8100D-...\n LOSS( SVAVB4 ) = 0.0D0\n\n PROD( SVAVB1 ) = 1.4000D-01 * RXRAT( 257 ) ! TOLRO2+HO2=0.1400D+...\n & + 1.9300D-01 * RXRAT( 259 ) ! XYLRO2+HO2=0.1930D+...\n & + 1.4600D-01 * RXRAT( 261 ) ! BENZRO2+HO2=0.1460D+...\n & + 4.7300D-01 * RXRAT( 266 ) ! PAHRO2+HO2=0.4730D+...\n LOSS( SVAVB1 ) = 0.0D0\n\n PROD( SESQ ) = 0.0D0\n LOSS( SESQ ) = RXRAT( 262 ) ! SESQ+O3=O3+SESQRXN\n & + RXRAT( 263 ) ! SESQ+OH=OH+SESQRXN\n & + RXRAT( 264 ) ! SESQ+NO3=NO3+SESQRXN\n\n PROD( SESQRXN ) = RXRAT( 262 ) ! SESQ+O3=SESQRXN+O3\n & + RXRAT( 263 ) ! SESQ+OH=SESQRXN+OH\n & + RXRAT( 264 ) ! SESQ+NO3=SESQRXN+NO3\n LOSS( SESQRXN ) = 0.0D0\n\n PROD( SOAALK ) = 0.0D0\n LOSS( SOAALK ) = RXRAT( 267 ) ! SOAALK+OH=OH+0.6000D-...\n\n PROD( H2NO3PIJ ) = RXRAT( 269 ) ! N2O5=H2NO3PIJ+HNO3\n LOSS( H2NO3PIJ ) = RXRAT( 271 ) ! H2NO3PIJ=HNO3\n & + RXRAT( 273 ) ! H2NO3PIJ+ACLI=CLNO2\n & + RXRAT( 274 ) ! H2NO3PIJ+ACLJ=CLNO2\n\n PROD( H2NO3PK ) = RXRAT( 270 ) ! N2O5=H2NO3PK+HNO3\n LOSS( H2NO3PK ) = RXRAT( 272 ) ! H2NO3PK=HNO3\n & + RXRAT( 275 ) ! H2NO3PK+ACLK=CLNO2\n\n PROD( ACLI ) = 0.0D0\n LOSS( ACLI ) = RXRAT( 273 ) ! ACLI+H2NO3PIJ=CLNO2\n\n PROD( ACLJ ) = 0.0D0\n LOSS( ACLJ ) = RXRAT( 274 ) ! ACLJ+H2NO3PIJ=CLNO2\n\n PROD( ACLK ) = 0.0D0\n LOSS( ACLK ) = RXRAT( 275 ) ! ACLK+H2NO3PK=CLNO2\n\n PROD( IEPOXP ) = RXRAT( 278 ) ! EPOX=IEPOXP\n LOSS( IEPOXP ) = RXRAT( 279 ) ! IEPOXP+ASO4J=AISO3J\n & + RXRAT( 280 ) ! IEPOXP=AISO3J\n\n PROD( ASO4J ) = 0.0D0\n LOSS( ASO4J ) = RXRAT( 279 ) ! ASO4J+IEPOXP=AISO3J\n\n PROD( AISO3J ) = RXRAT( 279 ) ! IEPOXP+ASO4J=AISO3J\n & + RXRAT( 280 ) ! IEPOXP=AISO3J\n LOSS( AISO3J ) = 0.0D0\n\n PROD( AGLYJ ) = RXRAT( 281 ) ! GLY=AGLYJ\n & + RXRAT( 282 ) ! MGLY=AGLYJ\n LOSS( AGLYJ ) = 0.0D0\n\n PROD( MTNO3 ) = 6.8800D-01 * RXRAT( 283 ) ! TERPNRO2+NO=0.6880D+...\n & + RXRAT( 284 ) ! TERPNRO2+HO2=MTNO3+HO2\n & + 4.2200D-01 * RXRAT( 285 ) ! TERPNRO2+NO3=0.4220D+...\n & + 7.1100D-01 * RXRAT( 286 ) ! TERPNRO2+RO2=0.7110D+...\n LOSS( MTNO3 ) = 6.3000D-01 * RXRAT( 287 ) ! MTNO3+CL=0.3700D+00*MTNO3+CL\n & + 7.6000D-01 * RXRAT( 288 ) ! MTNO3+OH=0.2400D+00*MTNO3+OH\n & + RXRAT( 289 ) ! MTNO3=\n\n PROD( AMTNO3J ) = 0.0D0\n LOSS( AMTNO3J ) = RXRAT( 290 ) ! AMTNO3J=AMTHYDJ\n\n PROD( AMTHYDJ ) = RXRAT( 290 ) ! AMTNO3J=AMTHYDJ\n LOSS( AMTHYDJ ) = 0.0D0\n\n PROD( AAVB2J ) = 0.0D0\n LOSS( AAVB2J ) = RXRAT( 291 ) ! AAVB2J=0.9070D+00*AOLGAJ\n\n PROD( AOLGAJ ) = 9.0700D-01 * RXRAT( 291 ) ! AAVB2J=0.9070D+00*AOLGAJ\n & + 9.2500D-01 * RXRAT( 292 ) ! AAVB3J=0.9250D+00*AOLGAJ\n & + 9.4300D-01 * RXRAT( 293 ) ! AAVB4J=0.9430D+00*AOLGAJ\n LOSS( AOLGAJ ) = 0.0D0\n\n PROD( AAVB3J ) = 0.0D0\n LOSS( AAVB3J ) = RXRAT( 292 ) ! AAVB3J=0.9250D+00*AOLGAJ\n\n PROD( AAVB4J ) = 0.0D0\n LOSS( AAVB4J ) = RXRAT( 293 ) ! AAVB4J=0.9430D+00*AOLGAJ\n\n PROD( AISO1J ) = 0.0D0\n LOSS( AISO1J ) = RXRAT( 294 ) ! AISO1J=0.5000D+00*AOLGBJ\n\n PROD( AOLGBJ ) = 5.0000D-01 * RXRAT( 294 ) ! AISO1J=0.5000D+00*AOLGBJ\n & + 5.0000D-01 * RXRAT( 295 ) ! AISO2J=0.5000D+00*AOLGBJ\n & + 1.5000D+00 * RXRAT( 296 ) ! ASQTJ=0.1500D+01*AOLGBJ\n LOSS( AOLGBJ ) = 0.0D0\n\n PROD( AISO2J ) = 0.0D0\n LOSS( AISO2J ) = RXRAT( 295 ) ! AISO2J=0.5000D+00*AOLGBJ\n\n PROD( ASQTJ ) = 0.0D0\n LOSS( ASQTJ ) = RXRAT( 296 ) ! ASQTJ=0.1500D+01*AOLGBJ\n\n PROD( APOCI ) = 0.0D0\n LOSS( APOCI ) = 0.0D0\n\n PROD( APNCOMI ) = 1.2500D+00 * RXRAT( 297 ) ! APOCI+OH=0.1250D+...\n LOSS( APNCOMI ) = RXRAT( 298 ) ! APNCOMI+OH=OH\n\n PROD( APOCJ ) = 0.0D0\n LOSS( APOCJ ) = 0.0D0\n\n PROD( APNCOMJ ) = 1.2500D+00 * RXRAT( 299 ) ! APOCJ+OH=0.1250D+...\n LOSS( APNCOMJ ) = RXRAT( 300 ) ! APNCOMJ+OH=OH\n\n PROD( PCVOC ) = 0.0D0\n LOSS( PCVOC ) = RXRAT( 301 ) ! PCVOC+OH=OH+PCSOARXN\n\n PROD( PCSOARXN ) = RXRAT( 301 ) ! PCVOC+OH=PCSOARXN+OH\n LOSS( PCSOARXN ) = 0.0D0\n\n PROD( VLVPO1 ) = 3.0030D-01 * RXRAT( 303 ) ! VSVPO1+OH=0.3003D+...\n & + 3.8560D-01 * RXRAT( 304 ) ! VSVPO2+OH=0.3856D+...\n & + 2.1810D-01 * RXRAT( 305 ) ! VSVPO3+OH=0.2181D+...\n & + 2.4120D-01 * RXRAT( 306 ) ! VIVPO1+OH=0.2412D+...\n LOSS( VLVPO1 ) = 5.1430D-01 * RXRAT( 302 ) ! VLVPO1+OH=0.4857D+...\n\n PROD( VSVPO1 ) = 6.2000D-03 * RXRAT( 302 ) ! VLVPO1+OH=0.6200D-...\n & + 9.5000D-02 * RXRAT( 304 ) ! VSVPO2+OH=0.9500D-...\n & + 3.0630D-01 * RXRAT( 305 ) ! VSVPO3+OH=0.3063D+...\n & + 2.0890D-01 * RXRAT( 306 ) ! VIVPO1+OH=0.2089D+...\n LOSS( VSVPO1 ) = 7.1380D-01 * RXRAT( 303 ) ! VSVPO1+OH=0.2862D+...\n\n PROD( VSVPO2 ) = 2.5000D-03 * RXRAT( 302 ) ! VLVPO1+OH=0.2500D-...\n & + 4.1000D-03 * RXRAT( 303 ) ! VSVPO1+OH=0.4100D-...\n & + 1.5300D-02 * RXRAT( 305 ) ! VSVPO3+OH=0.1530D-...\n & + 3.0000D-01 * RXRAT( 306 ) ! VIVPO1+OH=0.3000D+...\n LOSS( VSVPO2 ) = 8.6270D-01 * RXRAT( 304 ) ! VSVPO2+OH=0.1373D+...\n\n PROD( VSVPO3 ) = 2.6000D-03 * RXRAT( 302 ) ! VLVPO1+OH=0.2600D-...\n & + 3.5000D-03 * RXRAT( 303 ) ! VSVPO1+OH=0.3500D-...\n & + 5.0000D-04 * RXRAT( 304 ) ! VSVPO2+OH=0.5000D-...\n LOSS( VSVPO3 ) = 8.9570D-01 * RXRAT( 305 ) ! VSVPO3+OH=0.1043D+...\n\n PROD( VIVPO1 ) = 2.3000D-03 * RXRAT( 302 ) ! VLVPO1+OH=0.2300D-...\n LOSS( VIVPO1 ) = RXRAT( 306 ) ! VIVPO1+OH=OH+0.2412D+...\n\n PROD( VLVOO1 ) = 2.9440D-01 * RXRAT( 302 ) ! VLVPO1+OH=0.2944D+...\n & + 2.2390D-01 * RXRAT( 303 ) ! VSVPO1+OH=0.2239D+...\n & + 2.0510D-01 * RXRAT( 304 ) ! VSVPO2+OH=0.2051D+...\n & + 1.8930D-01 * RXRAT( 305 ) ! VSVPO3+OH=0.1893D+...\n & + 2.0280D-01 * RXRAT( 306 ) ! VIVPO1+OH=0.2028D+...\n & + 2.8580D-01 * RXRAT( 308 ) ! VLVOO2+OH=0.2858D+...\n & + 3.3030D-01 * RXRAT( 309 ) ! VSVOO1+OH=0.3303D+...\n & + 3.4440D-01 * RXRAT( 310 ) ! VSVOO2+OH=0.3444D+...\n & + 3.8860D-01 * RXRAT( 311 ) ! VSVOO3+OH=0.3886D+...\n LOSS( VLVOO1 ) = 3.3360D-01 * RXRAT( 307 ) ! VLVOO1+OH=0.6664D+...\n\n PROD( VLVOO2 ) = 2.0210D-01 * RXRAT( 302 ) ! VLVPO1+OH=0.2021D+...\n & + 1.8200D-01 * RXRAT( 303 ) ! VSVPO1+OH=0.1820D+...\n & + 1.7640D-01 * RXRAT( 304 ) ! VSVPO2+OH=0.1764D+...\n & + 1.6680D-01 * RXRAT( 305 ) ! VSVPO3+OH=0.1668D+...\n & + 4.7100D-02 * RXRAT( 306 ) ! VIVPO1+OH=0.4710D-...\n & + 1.4300D-02 * RXRAT( 307 ) ! VLVOO1+OH=0.1430D-...\n & + 2.2720D-01 * RXRAT( 309 ) ! VSVOO1+OH=0.2272D+...\n & + 2.7490D-01 * RXRAT( 310 ) ! VSVOO2+OH=0.2749D+...\n & + 2.4210D-01 * RXRAT( 311 ) ! VSVOO3+OH=0.2421D+...\n LOSS( VLVOO2 ) = 6.0690D-01 * RXRAT( 308 ) ! VLVOO2+OH=0.3931D+...\n\n PROD( VSVOO2 ) = 1.9000D-03 * RXRAT( 302 ) ! VLVPO1+OH=0.1900D-...\n & + 1.2390D-01 * RXRAT( 307 ) ! VLVOO1+OH=0.1239D+...\n & + 1.0270D-01 * RXRAT( 308 ) ! VLVOO2+OH=0.1027D+...\n & + 7.0200D-02 * RXRAT( 309 ) ! VSVOO1+OH=0.7020D-...\n & + 3.8500D-02 * RXRAT( 311 ) ! VSVOO3+OH=0.3850D-...\n LOSS( VSVOO2 ) = 7.4230D-01 * RXRAT( 310 ) ! VSVOO2+OH=0.2577D+...\n\n PROD( VSVOO3 ) = 2.3000D-03 * RXRAT( 302 ) ! VLVPO1+OH=0.2300D-...\n & + 1.8310D-01 * RXRAT( 307 ) ! VLVOO1+OH=0.1831D+...\n & + 2.0450D-01 * RXRAT( 308 ) ! VLVOO2+OH=0.2045D+...\n & + 1.1160D-01 * RXRAT( 309 ) ! VSVOO1+OH=0.1116D+...\n & + 7.3900D-02 * RXRAT( 310 ) ! VSVOO2+OH=0.7390D-...\n LOSS( VSVOO3 ) = 7.3330D-01 * RXRAT( 311 ) ! VSVOO3+OH=0.2667D+...\n\n PROD( VSVOO1 ) = 1.2300D-02 * RXRAT( 307 ) ! VLVOO1+OH=0.1230D-...\n & + 1.3900D-02 * RXRAT( 308 ) ! VLVOO2+OH=0.1390D-...\n & + 4.9100D-02 * RXRAT( 310 ) ! VSVOO2+OH=0.4910D-...\n & + 6.4000D-02 * RXRAT( 311 ) ! VSVOO3+OH=0.6400D-...\n LOSS( VSVOO1 ) = 7.3930D-01 * RXRAT( 309 ) ! VSVOO1+OH=0.2607D+...\n\n PROD( FORM_PRIMARY ) = 0.0D0\n LOSS( FORM_PRIMARY ) = RXRAT( 312 ) ! FORM_PRIMARY+OH=OH\n & + RXRAT( 313 ) ! FORM_PRIMARY+NO3=NO3\n & + RXRAT( 314 ) ! FORM_PRIMARY+O=O\n & + RXRAT( 315 ) ! FORM_PRIMARY=\n & + RXRAT( 316 ) ! FORM_PRIMARY=\n & + RXRAT( 317 ) ! FORM_PRIMARY+CL=CL\n\n PROD( ALD2_PRIMARY ) = 0.0D0\n LOSS( ALD2_PRIMARY ) = RXRAT( 318 ) ! ALD2_PRIMARY+OH=OH\n & + RXRAT( 319 ) ! ALD2_PRIMARY+NO3=NO3\n & + RXRAT( 320 ) ! ALD2_PRIMARY+O=O\n & + RXRAT( 321 ) ! ALD2_PRIMARY=\n & + RXRAT( 322 ) ! ALD2_PRIMARY+CL=CL\n\n PROD( BUTADIENE13 ) = 0.0D0\n LOSS( BUTADIENE13 ) = RXRAT( 323 ) ! BUTADIENE13+OH=OH+0.5800D+...\n & + RXRAT( 324 ) ! BUTADIENE13+O3=O3+0.5200D+...\n & + RXRAT( 325 ) ! BUTADIENE13+NO3=NO3+...\n & + RXRAT( 326 ) ! BUTADIENE13+CL=CL+0.5800D+...\n\n PROD( ACROLEIN ) = 5.8000D-01 * RXRAT( 323 ) ! BUTADIENE13+OH=0.5800D+...\n & + 5.2000D-01 * RXRAT( 324 ) ! BUTADIENE13+O3=0.5200D+...\n & + 4.5000D-02 * RXRAT( 325 ) ! BUTADIENE13+NO3=0.4500D-...\n & + 5.8000D-01 * RXRAT( 326 ) ! BUTADIENE13+CL=0.5800D+...\n LOSS( ACROLEIN ) = RXRAT( 332 ) ! ACROLEIN+OH=OH\n & + RXRAT( 333 ) ! ACROLEIN+O3=O3\n & + RXRAT( 334 ) ! ACROLEIN+NO3=NO3\n & + RXRAT( 335 ) ! ACROLEIN=\n & + RXRAT( 336 ) ! ACROLEIN+CL=CL\n\n PROD( ACRO_PRIMARY ) = 0.0D0\n LOSS( ACRO_PRIMARY ) = RXRAT( 327 ) ! ACRO_PRIMARY+OH=OH\n & + RXRAT( 328 ) ! ACRO_PRIMARY+O3=O3\n & + RXRAT( 329 ) ! ACRO_PRIMARY+NO3=NO3\n & + RXRAT( 330 ) ! ACRO_PRIMARY=\n & + RXRAT( 331 ) ! ACRO_PRIMARY+CL=CL\n\n PROD( TOLU ) = 0.0D0\n LOSS( TOLU ) = RXRAT( 337 ) ! TOLU+OH=OH\n & + RXRAT( 338 ) ! TOLU+CL=CL\n\n PROD( HG ) = 0.0D0\n LOSS( HG ) = RXRAT( 339 ) ! HG+O3=0.5000D+00*HGIIAER+...\n & + RXRAT( 340 ) ! HG+CL2=HGIIGAS+CL2\n & + RXRAT( 341 ) ! HG+H2O2=HGIIGAS+H2O2\n & + RXRAT( 342 ) ! HG+OH=0.5000D+00*HGIIAER+...\n & + 5.0000D-01 * RXRAT( 343 ) ! HG+CL=0.5000D+00*HG+...\n\n PROD( HGIIAER ) = 5.0000D-01 * RXRAT( 339 ) ! HG+O3=0.5000D+00*HGIIAER+...\n & + 5.0000D-01 * RXRAT( 342 ) ! HG+OH=0.5000D+00*HGIIAER+...\n LOSS( HGIIAER ) = 0.0D0\n\n PROD( HGIIGAS ) = 5.0000D-01 * RXRAT( 339 ) ! HG+O3=0.5000D+00*HGIIGAS+...\n & + RXRAT( 340 ) ! HG+CL2=HGIIGAS+CL2\n & + RXRAT( 341 ) ! HG+H2O2=HGIIGAS+H2O2\n & + 5.0000D-01 * RXRAT( 342 ) ! HG+OH=0.5000D+00*HGIIGAS+...\n & + 5.0000D-01 * RXRAT( 343 ) ! HG+CL=0.5000D+00*HGIIGAS+...\n LOSS( HGIIGAS ) = 0.0D0\n\n PNEG( PAR ) = 2.5000D+00 * RXRAT( 128 ) ! KET=-0.2500D+01*PAR+...\n & + 2.7000D+00 * RXRAT( 133 ) ! ROR=-0.2700D+01*PAR+...\n & + 7.3000D-01 * RXRAT( 142 ) ! OLE+OH=-0.7300D+00*PAR+...\n & + 7.9000D-01 * RXRAT( 143 ) ! OLE+O3=-0.7900D+00*PAR+...\n & + RXRAT( 144 ) ! OLE+NO3=-PAR+0.5000D+...\n & + 1.2600D-01 * RXRAT( 224 ) ! XPAR=-0.1260D+00*PAR+...\n & + RXRAT( 239 ) ! CL+OLE=-PAR+0.3300D+...\n\n RETURN\n\n END\n" }, { "path": "CCTM/src/gas/ebi_cb6r3_ae7_aq/hrrates.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE HRRATES\n\nC***********************************************************************\nC\nC FUNCTION: To calculate rates of reactions\nC\nC PRECONDITIONS: For the CB6R3_AE7_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 8, 2022\nC\nC***********************************************************************\n USE HRDATA\n\n IMPLICIT NONE\n\nC.....INCLUDES: NONE\n\n\nC.....ARGUMENTS: NONE\n\n\nC.....PARAMETERS: NONE\n\n\nC.....EXTERNAL FUNCTIONS: NONE\n\n\nC.....SAVED VARIABLES: NONE\n! CHARACTER( 16 ), SAVE :: PNAME = 'HRRATES' ! Program name\n\n\nC.....LOCAL VARIABLES: None\n\nC***********************************************************************\nC..NOTE: RXRAT commented out are not referenced by any routine\n! RXRAT( 1 ) = RKI( 1 ) * YC( NO2 )\n! RXRAT( 2 ) = RKI( 2 ) * YC( O )\n! RXRAT( 3 ) = RKI( 3 ) * YC( O3 ) * YC( NO )\n! RXRAT( 4 ) = RKI( 4 ) * YC( O ) * YC( NO )\n! RXRAT( 5 ) = RKI( 5 ) * YC( O ) * YC( NO2 )\n RXRAT( 6 ) = RKI( 6 ) * YC( O ) * YC( NO2 )\n! RXRAT( 7 ) = RKI( 7 ) * YC( O ) * YC( O3 )\n RXRAT( 8 ) = RKI( 8 ) * YC( O3 )\n RXRAT( 9 ) = RKI( 9 ) * YC( O3 )\n! RXRAT( 10 ) = RKI( 10 ) * YC( O1D )\n! RXRAT( 11 ) = RKI( 11 ) * YC( O1D )\n! RXRAT( 12 ) = RKI( 12 ) * YC( O3 ) * YC( OH )\n! RXRAT( 13 ) = RKI( 13 ) * YC( O3 ) * YC( HO2 )\n! RXRAT( 14 ) = RKI( 14 ) * YC( OH ) * YC( O )\n! RXRAT( 15 ) = RKI( 15 ) * YC( HO2 ) * YC( O )\n RXRAT( 16 ) = RKI( 16 ) * YC( OH ) * YC( OH )\n RXRAT( 17 ) = RKI( 17 ) * YC( OH ) * YC( OH )\n! RXRAT( 18 ) = RKI( 18 ) * YC( OH ) * YC( HO2 )\n RXRAT( 19 ) = RKI( 19 ) * YC( HO2 ) * YC( HO2 )\n RXRAT( 20 ) = RKI( 20 ) * YC( HO2 ) * YC( HO2 )\n RXRAT( 21 ) = RKI( 21 ) * YC( H2O2 )\n RXRAT( 22 ) = RKI( 22 ) * YC( H2O2 ) * YC( OH )\n RXRAT( 23 ) = RKI( 23 ) * YC( H2O2 ) * YC( O )\n! RXRAT( 24 ) = RKI( 24 ) * YC( NO ) * YC( NO )\n! RXRAT( 25 ) = RKI( 25 ) * YC( HO2 ) * YC( NO )\n RXRAT( 26 ) = RKI( 26 ) * YC( NO2 ) * YC( O3 )\n RXRAT( 27 ) = RKI( 27 ) * YC( NO3 )\n RXRAT( 28 ) = RKI( 28 ) * YC( NO3 )\n RXRAT( 29 ) = RKI( 29 ) * YC( NO3 ) * YC( NO )\n RXRAT( 30 ) = RKI( 30 ) * YC( NO3 ) * YC( NO2 )\n RXRAT( 31 ) = RKI( 31 ) * YC( NO3 ) * YC( O )\n RXRAT( 32 ) = RKI( 32 ) * YC( NO3 ) * YC( OH )\n RXRAT( 33 ) = RKI( 33 ) * YC( NO3 ) * YC( HO2 )\n RXRAT( 34 ) = RKI( 34 ) * YC( NO3 ) * YC( O3 )\n RXRAT( 35 ) = RKI( 35 ) * YC( NO3 ) * YC( NO3 )\n! RXRAT( 36 ) = RKI( 36 ) * YC( NO3 ) * YC( NO2 )\n RXRAT( 37 ) = RKI( 37 ) * YC( N2O5 )\n RXRAT( 38 ) = RKI( 38 ) * YC( N2O5 )\n RXRAT( 39 ) = RKI( 39 ) * YC( N2O5 )\n! RXRAT( 40 ) = RKI( 40 ) * YC( NO ) * YC( OH )\n RXRAT( 41 ) = RKI( 41 ) * YC( NO ) * YC( NO2 )\n RXRAT( 42 ) = RKI( 42 ) * YC( HONO ) * YC( HONO )\n RXRAT( 43 ) = RKI( 43 ) * YC( HONO )\n RXRAT( 44 ) = RKI( 44 ) * YC( HONO ) * YC( OH )\n RXRAT( 45 ) = RKI( 45 ) * YC( NO2 ) * YC( OH )\n RXRAT( 46 ) = RKI( 46 ) * YC( HNO3 ) * YC( OH )\n RXRAT( 47 ) = RKI( 47 ) * YC( HNO3 )\n! RXRAT( 48 ) = RKI( 48 ) * YC( HO2 ) * YC( NO2 )\n RXRAT( 49 ) = RKI( 49 ) * YC( PNA )\n RXRAT( 50 ) = RKI( 50 ) * YC( PNA )\n RXRAT( 51 ) = RKI( 51 ) * YC( PNA ) * YC( OH )\n RXRAT( 52 ) = RKI( 52 ) * YC( SO2 ) * YC( OH )\n RXRAT( 53 ) = RKI( 53 ) * YC( C2O3 ) * YC( NO )\n! RXRAT( 54 ) = RKI( 54 ) * YC( C2O3 ) * YC( NO2 )\n RXRAT( 55 ) = RKI( 55 ) * YC( PAN )\n RXRAT( 56 ) = RKI( 56 ) * YC( PAN )\n RXRAT( 57 ) = RKI( 57 ) * YC( C2O3 ) * YC( HO2 )\n RXRAT( 58 ) = RKI( 58 ) * YC( C2O3 ) * YC( RO2 )\n RXRAT( 59 ) = RKI( 59 ) * YC( C2O3 ) * YC( C2O3 )\n RXRAT( 60 ) = RKI( 60 ) * YC( C2O3 ) * YC( CXO3 )\n RXRAT( 61 ) = RKI( 61 ) * YC( CXO3 ) * YC( NO )\n RXRAT( 62 ) = RKI( 62 ) * YC( CXO3 ) * YC( NO2 )\n RXRAT( 63 ) = RKI( 63 ) * YC( PANX )\n RXRAT( 64 ) = RKI( 64 ) * YC( PANX )\n RXRAT( 65 ) = RKI( 65 ) * YC( CXO3 ) * YC( HO2 )\n RXRAT( 66 ) = RKI( 66 ) * YC( CXO3 ) * YC( RO2 )\n RXRAT( 67 ) = RKI( 67 ) * YC( CXO3 ) * YC( CXO3 )\n RXRAT( 68 ) = RKI( 68 ) * YC( RO2 ) * YC( NO )\n RXRAT( 69 ) = RKI( 69 ) * YC( RO2 ) * YC( HO2 )\n RXRAT( 70 ) = RKI( 70 ) * YC( RO2 ) * YC( RO2 )\n RXRAT( 71 ) = RKI( 71 ) * YC( MEO2 ) * YC( NO )\n RXRAT( 72 ) = RKI( 72 ) * YC( MEO2 ) * YC( HO2 )\n RXRAT( 73 ) = RKI( 73 ) * YC( MEO2 ) * YC( C2O3 )\n RXRAT( 74 ) = RKI( 74 ) * YC( MEO2 ) * YC( RO2 )\n RXRAT( 75 ) = RKI( 75 ) * YC( XO2H ) * YC( NO )\n RXRAT( 76 ) = RKI( 76 ) * YC( XO2H ) * YC( HO2 )\n RXRAT( 77 ) = RKI( 77 ) * YC( XO2H ) * YC( C2O3 )\n RXRAT( 78 ) = RKI( 78 ) * YC( XO2H ) * YC( RO2 )\n RXRAT( 79 ) = RKI( 79 ) * YC( XO2 ) * YC( NO )\n RXRAT( 80 ) = RKI( 80 ) * YC( XO2 ) * YC( HO2 )\n RXRAT( 81 ) = RKI( 81 ) * YC( XO2 ) * YC( C2O3 )\n RXRAT( 82 ) = RKI( 82 ) * YC( XO2 ) * YC( RO2 )\n RXRAT( 83 ) = RKI( 83 ) * YC( XO2N ) * YC( NO )\n RXRAT( 84 ) = RKI( 84 ) * YC( XO2N ) * YC( HO2 )\n RXRAT( 85 ) = RKI( 85 ) * YC( XO2N ) * YC( C2O3 )\n RXRAT( 86 ) = RKI( 86 ) * YC( XO2N ) * YC( RO2 )\n RXRAT( 87 ) = RKI( 87 ) * YC( MEPX ) * YC( OH )\n RXRAT( 88 ) = RKI( 88 ) * YC( MEPX )\n RXRAT( 89 ) = RKI( 89 ) * YC( ROOH ) * YC( OH )\n RXRAT( 90 ) = RKI( 90 ) * YC( ROOH )\n RXRAT( 91 ) = RKI( 91 ) * YC( NTR1 ) * YC( OH )\n RXRAT( 92 ) = RKI( 92 ) * YC( NTR1 )\n RXRAT( 93 ) = RKI( 93 ) * YC( FACD ) * YC( OH )\n RXRAT( 94 ) = RKI( 94 ) * YC( AACD ) * YC( OH )\n RXRAT( 95 ) = RKI( 95 ) * YC( PACD ) * YC( OH )\n RXRAT( 96 ) = RKI( 96 ) * YC( FORM ) * YC( OH )\n RXRAT( 97 ) = RKI( 97 ) * YC( FORM )\n RXRAT( 98 ) = RKI( 98 ) * YC( FORM )\n RXRAT( 99 ) = RKI( 99 ) * YC( FORM ) * YC( O )\n RXRAT( 100 ) = RKI( 100 ) * YC( FORM ) * YC( NO3 )\n RXRAT( 101 ) = RKI( 101 ) * YC( FORM ) * YC( HO2 )\n RXRAT( 102 ) = RKI( 102 ) * YC( HCO3 )\n RXRAT( 103 ) = RKI( 103 ) * YC( HCO3 ) * YC( NO )\n RXRAT( 104 ) = RKI( 104 ) * YC( HCO3 ) * YC( HO2 )\n RXRAT( 105 ) = RKI( 105 ) * YC( ALD2 ) * YC( O )\n RXRAT( 106 ) = RKI( 106 ) * YC( ALD2 ) * YC( OH )\n RXRAT( 107 ) = RKI( 107 ) * YC( ALD2 ) * YC( NO3 )\n RXRAT( 108 ) = RKI( 108 ) * YC( ALD2 )\n RXRAT( 109 ) = RKI( 109 ) * YC( ALDX ) * YC( O )\n RXRAT( 110 ) = RKI( 110 ) * YC( ALDX ) * YC( OH )\n RXRAT( 111 ) = RKI( 111 ) * YC( ALDX ) * YC( NO3 )\n RXRAT( 112 ) = RKI( 112 ) * YC( ALDX )\n RXRAT( 113 ) = RKI( 113 ) * YC( GLYD ) * YC( OH )\n RXRAT( 114 ) = RKI( 114 ) * YC( GLYD )\n RXRAT( 115 ) = RKI( 115 ) * YC( GLYD ) * YC( NO3 )\n RXRAT( 116 ) = RKI( 116 ) * YC( GLY ) * YC( OH )\n RXRAT( 117 ) = RKI( 117 ) * YC( GLY )\n RXRAT( 118 ) = RKI( 118 ) * YC( GLY ) * YC( NO3 )\n RXRAT( 119 ) = RKI( 119 ) * YC( MGLY )\n RXRAT( 120 ) = RKI( 120 ) * YC( MGLY ) * YC( NO3 )\n RXRAT( 121 ) = RKI( 121 ) * YC( MGLY ) * YC( OH )\n! RXRAT( 122 ) = RKI( 122 ) * YC( OH )\n RXRAT( 123 ) = RKI( 123 ) * YC( CO ) * YC( OH )\n RXRAT( 124 ) = RKI( 124 ) * YC( OH )\n RXRAT( 125 ) = RKI( 125 ) * YC( ETHA ) * YC( OH )\n RXRAT( 126 ) = RKI( 126 ) * YC( MEOH ) * YC( OH )\n RXRAT( 127 ) = RKI( 127 ) * YC( ETOH ) * YC( OH )\n RXRAT( 128 ) = RKI( 128 ) * YC( KET )\n RXRAT( 129 ) = RKI( 129 ) * YC( ACET )\n RXRAT( 130 ) = RKI( 130 ) * YC( ACET ) * YC( OH )\n RXRAT( 131 ) = RKI( 131 ) * YC( PRPA ) * YC( OH )\n RXRAT( 132 ) = RKI( 132 ) * YC( PAR ) * YC( OH )\n RXRAT( 133 ) = RKI( 133 ) * YC( ROR )\n RXRAT( 134 ) = RKI( 134 ) * YC( ROR )\n RXRAT( 135 ) = RKI( 135 ) * YC( ROR ) * YC( NO2 )\n RXRAT( 136 ) = RKI( 136 ) * YC( ETHY ) * YC( OH )\n RXRAT( 137 ) = RKI( 137 ) * YC( ETH ) * YC( O )\n RXRAT( 138 ) = RKI( 138 ) * YC( ETH ) * YC( OH )\n RXRAT( 139 ) = RKI( 139 ) * YC( ETH ) * YC( O3 )\n RXRAT( 140 ) = RKI( 140 ) * YC( ETH ) * YC( NO3 )\n RXRAT( 141 ) = RKI( 141 ) * YC( OLE ) * YC( O )\n RXRAT( 142 ) = RKI( 142 ) * YC( OLE ) * YC( OH )\n RXRAT( 143 ) = RKI( 143 ) * YC( OLE ) * YC( O3 )\n RXRAT( 144 ) = RKI( 144 ) * YC( OLE ) * YC( NO3 )\n RXRAT( 145 ) = RKI( 145 ) * YC( IOLE ) * YC( O )\n RXRAT( 146 ) = RKI( 146 ) * YC( IOLE ) * YC( OH )\n RXRAT( 147 ) = RKI( 147 ) * YC( IOLE ) * YC( O3 )\n RXRAT( 148 ) = RKI( 148 ) * YC( IOLE ) * YC( NO3 )\n RXRAT( 149 ) = RKI( 149 ) * YC( ISOP ) * YC( OH )\n RXRAT( 150 ) = RKI( 150 ) * YC( ISOP ) * YC( O )\n RXRAT( 151 ) = RKI( 151 ) * YC( ISO2 ) * YC( NO )\n RXRAT( 152 ) = RKI( 152 ) * YC( ISO2 ) * YC( HO2 )\n RXRAT( 153 ) = RKI( 153 ) * YC( ISO2 ) * YC( C2O3 )\n RXRAT( 154 ) = RKI( 154 ) * YC( ISO2 ) * YC( RO2 )\n RXRAT( 155 ) = RKI( 155 ) * YC( ISO2 )\n RXRAT( 156 ) = RKI( 156 ) * YC( ISOP ) * YC( O3 )\n RXRAT( 157 ) = RKI( 157 ) * YC( ISOP ) * YC( NO3 )\n RXRAT( 158 ) = RKI( 158 ) * YC( ISPD ) * YC( OH )\n RXRAT( 159 ) = RKI( 159 ) * YC( ISPD ) * YC( O3 )\n RXRAT( 160 ) = RKI( 160 ) * YC( ISPD ) * YC( NO3 )\n RXRAT( 161 ) = RKI( 161 ) * YC( ISPD )\n RXRAT( 162 ) = RKI( 162 ) * YC( ISPX ) * YC( OH )\n RXRAT( 163 ) = RKI( 163 ) * YC( HPLD )\n RXRAT( 164 ) = RKI( 164 ) * YC( HPLD ) * YC( NO3 )\n RXRAT( 165 ) = RKI( 165 ) * YC( EPOX ) * YC( OH )\n RXRAT( 166 ) = RKI( 166 ) * YC( EPX2 ) * YC( HO2 )\n RXRAT( 167 ) = RKI( 167 ) * YC( EPX2 ) * YC( NO )\n RXRAT( 168 ) = RKI( 168 ) * YC( EPX2 ) * YC( C2O3 )\n RXRAT( 169 ) = RKI( 169 ) * YC( EPX2 ) * YC( RO2 )\n RXRAT( 170 ) = RKI( 170 ) * YC( INTR ) * YC( OH )\n RXRAT( 171 ) = RKI( 171 ) * YC( TERP ) * YC( O )\n RXRAT( 172 ) = RKI( 172 ) * YC( TERP ) * YC( OH )\n RXRAT( 173 ) = RKI( 173 ) * YC( TERP ) * YC( O3 )\n RXRAT( 174 ) = RKI( 174 ) * YC( TERP ) * YC( NO3 )\n RXRAT( 175 ) = RKI( 175 ) * YC( APIN ) * YC( O )\n RXRAT( 176 ) = RKI( 176 ) * YC( APIN ) * YC( OH )\n RXRAT( 177 ) = RKI( 177 ) * YC( APIN ) * YC( O3 )\n RXRAT( 178 ) = RKI( 178 ) * YC( APIN ) * YC( NO3 )\n RXRAT( 179 ) = RKI( 179 ) * YC( BENZENE ) * YC( OH )\n RXRAT( 180 ) = RKI( 180 ) * YC( BZO2 ) * YC( NO )\n RXRAT( 181 ) = RKI( 181 ) * YC( BZO2 ) * YC( C2O3 )\n RXRAT( 182 ) = RKI( 182 ) * YC( BZO2 ) * YC( HO2 )\n RXRAT( 183 ) = RKI( 183 ) * YC( BZO2 ) * YC( RO2 )\n RXRAT( 184 ) = RKI( 184 ) * YC( TOL ) * YC( OH )\n RXRAT( 185 ) = RKI( 185 ) * YC( TO2 ) * YC( NO )\n RXRAT( 186 ) = RKI( 186 ) * YC( TO2 ) * YC( C2O3 )\n RXRAT( 187 ) = RKI( 187 ) * YC( TO2 ) * YC( HO2 )\n RXRAT( 188 ) = RKI( 188 ) * YC( TO2 ) * YC( RO2 )\n RXRAT( 189 ) = RKI( 189 ) * YC( XYLMN ) * YC( OH )\n RXRAT( 190 ) = RKI( 190 ) * YC( NAPH ) * YC( OH )\n RXRAT( 191 ) = RKI( 191 ) * YC( XLO2 ) * YC( NO )\n RXRAT( 192 ) = RKI( 192 ) * YC( XLO2 ) * YC( HO2 )\n RXRAT( 193 ) = RKI( 193 ) * YC( XLO2 ) * YC( C2O3 )\n RXRAT( 194 ) = RKI( 194 ) * YC( XLO2 ) * YC( RO2 )\n RXRAT( 195 ) = RKI( 195 ) * YC( CRES ) * YC( OH )\n RXRAT( 196 ) = RKI( 196 ) * YC( CRES ) * YC( NO3 )\n RXRAT( 197 ) = RKI( 197 ) * YC( CRO ) * YC( NO2 )\n RXRAT( 198 ) = RKI( 198 ) * YC( CRO ) * YC( HO2 )\n RXRAT( 199 ) = RKI( 199 ) * YC( CRON ) * YC( OH )\n RXRAT( 200 ) = RKI( 200 ) * YC( CRON ) * YC( NO3 )\n RXRAT( 201 ) = RKI( 201 ) * YC( CRON )\n RXRAT( 202 ) = RKI( 202 ) * YC( XOPN )\n RXRAT( 203 ) = RKI( 203 ) * YC( XOPN ) * YC( OH )\n RXRAT( 204 ) = RKI( 204 ) * YC( XOPN ) * YC( O3 )\n RXRAT( 205 ) = RKI( 205 ) * YC( XOPN ) * YC( NO3 )\n RXRAT( 206 ) = RKI( 206 ) * YC( OPEN )\n RXRAT( 207 ) = RKI( 207 ) * YC( OPEN ) * YC( OH )\n RXRAT( 208 ) = RKI( 208 ) * YC( OPEN ) * YC( O3 )\n RXRAT( 209 ) = RKI( 209 ) * YC( OPEN ) * YC( NO3 )\n RXRAT( 210 ) = RKI( 210 ) * YC( CAT1 ) * YC( OH )\n RXRAT( 211 ) = RKI( 211 ) * YC( CAT1 ) * YC( NO3 )\n RXRAT( 212 ) = RKI( 212 ) * YC( OPO3 ) * YC( NO )\n RXRAT( 213 ) = RKI( 213 ) * YC( OPO3 ) * YC( NO2 )\n RXRAT( 214 ) = RKI( 214 ) * YC( OPAN )\n RXRAT( 215 ) = RKI( 215 ) * YC( OPO3 ) * YC( HO2 )\n RXRAT( 216 ) = RKI( 216 ) * YC( OPO3 ) * YC( C2O3 )\n RXRAT( 217 ) = RKI( 217 ) * YC( OPO3 ) * YC( RO2 )\n RXRAT( 218 ) = RKI( 218 ) * YC( OPAN ) * YC( OH )\n RXRAT( 219 ) = RKI( 219 ) * YC( PANX ) * YC( OH )\n RXRAT( 220 ) = RKI( 220 ) * YC( ECH4 ) * YC( OH )\n RXRAT( 221 ) = RKI( 221 ) * YC( XPRP )\n RXRAT( 222 ) = RKI( 222 ) * YC( XPRP )\n RXRAT( 223 ) = RKI( 223 ) * YC( XPAR )\n RXRAT( 224 ) = RKI( 224 ) * YC( XPAR )\n RXRAT( 225 ) = RKI( 225 ) * YC( CL2 )\n RXRAT( 226 ) = RKI( 226 ) * YC( HOCL )\n RXRAT( 227 ) = RKI( 227 ) * YC( CL ) * YC( O3 )\n RXRAT( 228 ) = RKI( 228 ) * YC( CLO ) * YC( CLO )\n RXRAT( 229 ) = RKI( 229 ) * YC( CLO ) * YC( NO )\n RXRAT( 230 ) = RKI( 230 ) * YC( CLO ) * YC( HO2 )\n RXRAT( 231 ) = RKI( 231 ) * YC( CLO ) * YC( MEO2 )\n RXRAT( 232 ) = RKI( 232 ) * YC( OH ) * YC( FMCL )\n RXRAT( 233 ) = RKI( 233 ) * YC( FMCL )\n RXRAT( 234 ) = RKI( 234 ) * YC( CL )\n RXRAT( 235 ) = RKI( 235 ) * YC( CL ) * YC( PAR )\n RXRAT( 236 ) = RKI( 236 ) * YC( CL ) * YC( PRPA )\n RXRAT( 237 ) = RKI( 237 ) * YC( CL ) * YC( ETHA )\n RXRAT( 238 ) = RKI( 238 ) * YC( CL ) * YC( ETH )\n RXRAT( 239 ) = RKI( 239 ) * YC( CL ) * YC( OLE )\n RXRAT( 240 ) = RKI( 240 ) * YC( CL ) * YC( IOLE )\n RXRAT( 241 ) = RKI( 241 ) * YC( CL ) * YC( ISOP )\n RXRAT( 242 ) = RKI( 242 ) * YC( CL ) * YC( FORM )\n RXRAT( 243 ) = RKI( 243 ) * YC( CL ) * YC( ALD2 )\n RXRAT( 244 ) = RKI( 244 ) * YC( CL ) * YC( ALDX )\n RXRAT( 245 ) = RKI( 245 ) * YC( CL ) * YC( MEOH )\n RXRAT( 246 ) = RKI( 246 ) * YC( CL ) * YC( ETOH )\n RXRAT( 247 ) = RKI( 247 ) * YC( HCL ) * YC( OH )\n RXRAT( 248 ) = RKI( 248 ) * YC( CL ) * YC( TOL )\n RXRAT( 249 ) = RKI( 249 ) * YC( CL ) * YC( XYLMN )\n RXRAT( 250 ) = RKI( 250 ) * YC( CL ) * YC( NAPH )\n RXRAT( 251 ) = RKI( 251 ) * YC( CLNO2 )\n RXRAT( 252 ) = RKI( 252 ) * YC( CLO ) * YC( NO2 )\n RXRAT( 253 ) = RKI( 253 ) * YC( CLNO3 )\n RXRAT( 254 ) = RKI( 254 ) * YC( CLNO3 )\n RXRAT( 255 ) = RKI( 255 ) * YC( CLNO3 )\n RXRAT( 256 ) = RKI( 256 ) * YC( TOLRO2 ) * YC( NO )\n RXRAT( 257 ) = RKI( 257 ) * YC( TOLRO2 ) * YC( HO2 )\n RXRAT( 258 ) = RKI( 258 ) * YC( XYLRO2 ) * YC( NO )\n RXRAT( 259 ) = RKI( 259 ) * YC( XYLRO2 ) * YC( HO2 )\n RXRAT( 260 ) = RKI( 260 ) * YC( BENZRO2 ) * YC( NO )\n RXRAT( 261 ) = RKI( 261 ) * YC( BENZRO2 ) * YC( HO2 )\n RXRAT( 262 ) = RKI( 262 ) * YC( SESQ ) * YC( O3 )\n RXRAT( 263 ) = RKI( 263 ) * YC( SESQ ) * YC( OH )\n RXRAT( 264 ) = RKI( 264 ) * YC( SESQ ) * YC( NO3 )\n RXRAT( 265 ) = RKI( 265 ) * YC( PAHRO2 ) * YC( NO )\n RXRAT( 266 ) = RKI( 266 ) * YC( PAHRO2 ) * YC( HO2 )\n RXRAT( 267 ) = RKI( 267 ) * YC( SOAALK ) * YC( OH )\n RXRAT( 268 ) = RKI( 268 ) * YC( NTR2 )\n RXRAT( 269 ) = RKI( 269 ) * YC( N2O5 )\n RXRAT( 270 ) = RKI( 270 ) * YC( N2O5 )\n RXRAT( 271 ) = RKI( 271 ) * YC( H2NO3PIJ )\n RXRAT( 272 ) = RKI( 272 ) * YC( H2NO3PK )\n RXRAT( 273 ) = RKI( 273 ) * YC( H2NO3PIJ ) * YC( ACLI )\n RXRAT( 274 ) = RKI( 274 ) * YC( H2NO3PIJ ) * YC( ACLJ )\n RXRAT( 275 ) = RKI( 275 ) * YC( H2NO3PK ) * YC( ACLK )\n RXRAT( 276 ) = RKI( 276 ) * YC( NO2 )\n! RXRAT( 277 ) = RKI( 277 ) * YC( O3 )\n RXRAT( 278 ) = RKI( 278 ) * YC( EPOX )\n RXRAT( 279 ) = RKI( 279 ) * YC( IEPOXP ) * YC( ASO4J )\n RXRAT( 280 ) = RKI( 280 ) * YC( IEPOXP )\n RXRAT( 281 ) = RKI( 281 ) * YC( GLY )\n RXRAT( 282 ) = RKI( 282 ) * YC( MGLY )\n RXRAT( 283 ) = RKI( 283 ) * YC( TERPNRO2 ) * YC( NO )\n RXRAT( 284 ) = RKI( 284 ) * YC( TERPNRO2 ) * YC( HO2 )\n RXRAT( 285 ) = RKI( 285 ) * YC( TERPNRO2 ) * YC( NO3 )\n RXRAT( 286 ) = RKI( 286 ) * YC( TERPNRO2 ) * YC( RO2 )\n RXRAT( 287 ) = RKI( 287 ) * YC( MTNO3 ) * YC( CL )\n RXRAT( 288 ) = RKI( 288 ) * YC( MTNO3 ) * YC( OH )\n RXRAT( 289 ) = RKI( 289 ) * YC( MTNO3 )\n RXRAT( 290 ) = RKI( 290 ) * YC( AMTNO3J )\n RXRAT( 291 ) = RKI( 291 ) * YC( AAVB2J )\n RXRAT( 292 ) = RKI( 292 ) * YC( AAVB3J )\n RXRAT( 293 ) = RKI( 293 ) * YC( AAVB4J )\n RXRAT( 294 ) = RKI( 294 ) * YC( AISO1J )\n RXRAT( 295 ) = RKI( 295 ) * YC( AISO2J )\n RXRAT( 296 ) = RKI( 296 ) * YC( ASQTJ )\n RXRAT( 297 ) = RKI( 297 ) * YC( APOCI ) * YC( OH )\n RXRAT( 298 ) = RKI( 298 ) * YC( APNCOMI ) * YC( OH )\n RXRAT( 299 ) = RKI( 299 ) * YC( APOCJ ) * YC( OH )\n RXRAT( 300 ) = RKI( 300 ) * YC( APNCOMJ ) * YC( OH )\n RXRAT( 301 ) = RKI( 301 ) * YC( PCVOC ) * YC( OH )\n RXRAT( 302 ) = RKI( 302 ) * YC( VLVPO1 ) * YC( OH )\n RXRAT( 303 ) = RKI( 303 ) * YC( VSVPO1 ) * YC( OH )\n RXRAT( 304 ) = RKI( 304 ) * YC( VSVPO2 ) * YC( OH )\n RXRAT( 305 ) = RKI( 305 ) * YC( VSVPO3 ) * YC( OH )\n RXRAT( 306 ) = RKI( 306 ) * YC( VIVPO1 ) * YC( OH )\n RXRAT( 307 ) = RKI( 307 ) * YC( VLVOO1 ) * YC( OH )\n RXRAT( 308 ) = RKI( 308 ) * YC( VLVOO2 ) * YC( OH )\n RXRAT( 309 ) = RKI( 309 ) * YC( VSVOO1 ) * YC( OH )\n RXRAT( 310 ) = RKI( 310 ) * YC( VSVOO2 ) * YC( OH )\n RXRAT( 311 ) = RKI( 311 ) * YC( VSVOO3 ) * YC( OH )\n RXRAT( 312 ) = RKI( 312 ) * YC( FORM_PRIMARY ) * YC( OH )\n RXRAT( 313 ) = RKI( 313 ) * YC( FORM_PRIMARY ) * YC( NO3 )\n RXRAT( 314 ) = RKI( 314 ) * YC( FORM_PRIMARY ) * YC( O )\n RXRAT( 315 ) = RKI( 315 ) * YC( FORM_PRIMARY )\n RXRAT( 316 ) = RKI( 316 ) * YC( FORM_PRIMARY )\n RXRAT( 317 ) = RKI( 317 ) * YC( FORM_PRIMARY ) * YC( CL )\n RXRAT( 318 ) = RKI( 318 ) * YC( ALD2_PRIMARY ) * YC( OH )\n RXRAT( 319 ) = RKI( 319 ) * YC( ALD2_PRIMARY ) * YC( NO3 )\n RXRAT( 320 ) = RKI( 320 ) * YC( ALD2_PRIMARY ) * YC( O )\n RXRAT( 321 ) = RKI( 321 ) * YC( ALD2_PRIMARY )\n RXRAT( 322 ) = RKI( 322 ) * YC( ALD2_PRIMARY ) * YC( CL )\n RXRAT( 323 ) = RKI( 323 ) * YC( BUTADIENE13 ) * YC( OH )\n RXRAT( 324 ) = RKI( 324 ) * YC( BUTADIENE13 ) * YC( O3 )\n RXRAT( 325 ) = RKI( 325 ) * YC( BUTADIENE13 ) * YC( NO3 )\n RXRAT( 326 ) = RKI( 326 ) * YC( BUTADIENE13 ) * YC( CL )\n RXRAT( 327 ) = RKI( 327 ) * YC( ACRO_PRIMARY ) * YC( OH )\n RXRAT( 328 ) = RKI( 328 ) * YC( ACRO_PRIMARY ) * YC( O3 )\n RXRAT( 329 ) = RKI( 329 ) * YC( ACRO_PRIMARY ) * YC( NO3 )\n RXRAT( 330 ) = RKI( 330 ) * YC( ACRO_PRIMARY )\n RXRAT( 331 ) = RKI( 331 ) * YC( ACRO_PRIMARY ) * YC( CL )\n RXRAT( 332 ) = RKI( 332 ) * YC( ACROLEIN ) * YC( OH )\n RXRAT( 333 ) = RKI( 333 ) * YC( ACROLEIN ) * YC( O3 )\n RXRAT( 334 ) = RKI( 334 ) * YC( ACROLEIN ) * YC( NO3 )\n RXRAT( 335 ) = RKI( 335 ) * YC( ACROLEIN )\n RXRAT( 336 ) = RKI( 336 ) * YC( ACROLEIN ) * YC( CL )\n RXRAT( 337 ) = RKI( 337 ) * YC( TOLU ) * YC( OH )\n RXRAT( 338 ) = RKI( 338 ) * YC( TOLU ) * YC( CL )\n RXRAT( 339 ) = RKI( 339 ) * YC( HG ) * YC( O3 )\n RXRAT( 340 ) = RKI( 340 ) * YC( HG ) * YC( CL2 )\n RXRAT( 341 ) = RKI( 341 ) * YC( HG ) * YC( H2O2 )\n RXRAT( 342 ) = RKI( 342 ) * YC( HG ) * YC( OH )\n RXRAT( 343 ) = RKI( 343 ) * YC( HG ) * YC( CL )\n\n\n RETURN\n\n END\n" }, { "path": "CCTM/src/gas/ebi_cb6r3_ae7_aq/hrsolver.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\n SUBROUTINE HRSOLVER( JDATE, JTIME, C, R, L )\n\n\nC**********************************************************************\nC\nC FUNCTION: EBI solver\nC\nC PRECONDITIONS: For the CB6R3_AE7_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: HRRATES, HRG1, HRG2, HRG3\nC HRG4, HRPRODLOSS\nC DEGRADE\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 8, 2022\nC 21 Jun 10 J.Young: convert for Namelist redesign\nC 18 Jul 14 B.Hutzell: revised 1) to use the RXNS_DATA and RXNS_FUNCTION\nC modules instead of include files and 2) to use\nC real(8) variables\nC**********************************************************************\n\n USE RUNTIME_VARS\n USE UTILIO_DEFN\n USE RXNS_DATA\n USE HRDATA\n USE PA_IRR_MODULE\n#ifdef isam\n USE SA_IRR_DEFN\n#endif\n#ifdef sens\n USE DDM3D_CHEM, ONLY: YCDDM\n USE CGRID_SPCS, ONLY: GC_SPC\n#endif\n USE DEGRADE_ROUTINES, ONLY : DEGRADE, SA_DEGRADE_STEP\n\n\n IMPLICIT NONE\n\nC..INCLUDES:\n\n\nC..ARGUMENTS:\n INTEGER, INTENT( IN ) :: JDATE ! Current date (YYYYDDD)\n INTEGER, INTENT( IN ) :: JTIME ! Current time (HHMMSS)\n INTEGER, INTENT( IN ) :: C, R, L ! Cell col, row, lev\n\nC..PARAMETERS:\n INTEGER, PARAMETER :: MXBKUPS = 5 ! Max no. of back-ups allowed\n INTEGER, PARAMETER :: STAT = 1 ! Status code\n\n REAL( 8 ), PARAMETER :: DTMIN = 1.0D-08 ! Smallest time step allowed, min\n REAL( 8 ), PARAMETER :: EPSLON = 1.0D-30 ! Small number\n REAL( 8 ), PARAMETER :: MAXPRED = 1.0D+03 ! Upper limit on predicted conc\n REAL( 8 ), PARAMETER :: ZERO = 1.0D-40 ! effective zero\n REAL( 8 ), PARAMETER :: FLOOR = 1.0D-08 ! Min conc for RTOL\n\nC..EXTERNAL FUNCTIONS:\n\n\nC..SAVED LOCAL VARIABLES:\n CHARACTER( 16 ), SAVE :: PNAME = 'HRSOLVER' ! Program name\n LOGICAL, SAVE :: LFIRST = .TRUE. ! Flag for first call\n LOGICAL, ALLOCATABLE, SAVE :: LEBISPFL( : ) ! Convergence Error Flag for EBI species\n LOGICAL, ALLOCATABLE, SAVE :: MAXCONC ( : ) ! MAXCONC ERROR Flag for EBI species\n LOGICAL, ALLOCATABLE, SAVE :: NOTMAX ( : ) ! Initial concentration not greater than MAXPRED\n\n REAL( 8 ), ALLOCATABLE, SAVE :: RERROR ( : ) ! Relative Error\n REAL( 8 ), ALLOCATABLE, SAVE :: AERROR ( : ) ! Absolute Error\n\n\nC..SCRATCH LOCAL VARIABLES:\n\n CHARACTER( 132 ) :: MSG ! Message text\n\n INTEGER CELLNO ! Cell no. fo debug output\n INTEGER ITER ! Loop index for Backward Euler iterations\n INTEGER S ! Loop index for species\n INTEGER SP ! Imbedded loop index for species\n INTEGER NEBI ! Loop index for time steps\n INTEGER NINR ! No. of inner time steps\n#ifdef hrdebug\n INTEGER N ! Loop index\n#endif\n INTEGER M ! species index\n INTEGER EBI ! Loop index\n INTEGER NBKUPS ! No. of times time step reduced\n INTEGER ERR ! Allocate error flag\n\n\n LOGICAL LEBI_CONV ! Flag for EBI convergence\n LOGICAL MXFL ! hit MAXPRED flag\n\n REAL( 8 ) DTC ! Time step to take\n REAL( 8 ) DTG ! Time step in degrade routines, sec\n REAL( 8 ) FXDLOSS ! Total loss due to negative stoichiometry\n REAL( 8 ) VARLOSS ! Loss excluding negative stoichiometry\n\n\n#ifdef hrdebug\n CHARACTER( 8 ) :: NOTE ! Convergence fail note\n\n INTEGER COL ! Column to generate deboug output for\n INTEGER ROW ! Row to generate deboug output for\n INTEGER LEV ! Level to generate deboug output for\n INTEGER DBGOUT ! Output unit for debu outpt\n\n LOGICAL LDEBUG ! Debug output flag\n LOGICAL, SAVE :: LOPEN = .FALSE.\n#endif\n\n\nC**********************************************************************\n\n\n IF( LFIRST ) THEN\n LFIRST = .FALSE.\n\n ALLOCATE ( LEBISPFL( NUMB_MECH_SPC ), STAT = ERR )\n IF ( ERR .NE. 0 ) THEN\n MSG = 'Error allocating LEBISPFL'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n END IF\n\n ALLOCATE ( MAXCONC( NUMB_MECH_SPC ), STAT = ERR )\n IF ( ERR .NE. 0 ) THEN\n MSG = 'Error allocating MAXCONC'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n END IF\n\n ALLOCATE ( NOTMAX( NUMB_MECH_SPC ), STAT = ERR )\n IF ( ERR .NE. 0 ) THEN\n MSG = 'Error allocating NOTMAX'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n END IF\n\n ALLOCATE ( RERROR( NUMB_MECH_SPC ), STAT = ERR )\n IF ( ERR .NE. 0 ) THEN\n MSG = 'Error allocating ERROR'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n END IF\n\n ALLOCATE ( AERROR( NUMB_MECH_SPC ), STAT = ERR )\n IF ( ERR .NE. 0 ) THEN\n MSG = 'Error allocating AERROR'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n END IF\n\n END IF\n\n#ifdef sens\n YCDDM = 0.0D0\n#endif\n\nc++++++++++++++++++++++++Debug section++++++++++++++++++++++++++++++++++\n#ifdef hrdebug\n COL = 0\n ROW = 0\n LEV = 0\n IF( C .EQ. COL .AND. R .EQ. ROW .AND. L .EQ. LEV ) THEN\nc IF( JTIME .EQ. 160000 ) THEN\n LDEBUG = .TRUE.\n ELSE\n LDEBUG = .FALSE.\n END IF\n\n IF( LDEBUG ) THEN\n IF( .NOT. LOPEN ) THEN\n DBGOUT = JUNIT()\n OPEN( UNIT = DBGOUT, FILE = 'debug.out' )\n LOPEN = .TRUE.\n END IF\n\n WRITE( DBGOUT, '( A, 2I4, I3, 1X, I7, 1X, I6 ) ' )\n & 'Debug output for col/row/lev/date/time:',\n & C, R, L, JDATE, JTIME\n WRITE( DBGOUT, '( A, F7.2) ' )\n & 'EBI_TMSTEP = ', EBI_TMSTEP\n WRITE( DBGOUT, '( A )' ) 'Starting concs and rate constants'\n DO N = 1, NUMB_MECH_SPC\n WRITE( DBGOUT, '( A, I3, 1X, A, 1X, 1PD13.5 )' )\n & 'SP ',N, CHEMISTRY_SPC( N ), YC( N )\n END DO\n DO N = 1, N_RXNS\n WRITE( DBGOUT, '( A, I3, 1X, 1PD13.5 )' )\n & 'RKI ', N, RKI( N )\n END DO\n END IF\n#endif\nc++++++++++++++++++++++++Debug section++++++++++++++++++++++++++++++++++\n\n\n\n DTC = EBI_TMSTEP\n\n N_EBI_IT = 0\n NBKUPS = 0\n N_INR_STEPS = 1\n NEBI = 1\n LEBI_CONV = .TRUE.\n#ifdef isam\n UPDATE_SOLD = .FALSE.\n UPDATE_PROBABILITIES = .TRUE.\n CALL SA_IRR_UNBLOCKED ( .TRUE., RKI, YC, DTC )\n#endif\n\n\n DO S = 1, NUMB_MECH_SPC\n IF( YC( S ) .LE. MAXPRED )THEN\n NOTMAX( S ) = .TRUE.\n ELSE\n NOTMAX( S ) = .FALSE.\n WRITE(LOGDEV,91000)C, R, L, CHEMISTRY_SPC(S), YC(S)\n END IF\n END DO\n\n! Initial PA_IRR\n IF( CALL_IRR ) CALL PA_IRR ( .TRUE., RKI, YC, DTC )\n SA_DEGRADE_STEP = 0\n TSTEP_EBI: DO ! EBI time-step loop\n\n SUBSTEP_EBI: DO NINR = 1, N_INR_STEPS ! time substeps loop\n! first attempt is sub time-step equals EBI time-step\n\n IF( LEBI_CONV ) YC0 = YC ! Set ICs for EBI iterations\n\n ITER_SUBSTEP: DO ITER = 1, NEBITER ! iteration loop solving for sub time-step\n\n\n N_EBI_IT = N_EBI_IT + 1\n CALL HRRATES\n\nc++++++++++++++++++++++++Debug section++++++++++++++++++++++++++++++++++\n#ifdef hrdebug\n IF( LDEBUG ) THEN\n WRITE( DBGOUT, '( A, I5 )' ) 'ITER NO ', ITER\n WRITE( DBGOUT, '( A, F12.5 )' )\n & ' DTC=', DTC\n\n IF( ITER .EQ. 1 ) THEN\n WRITE( DBGOUT, '( A )' ) 'Starting reaction rates'\n DO N = 1, N_RXNS\n WRITE( DBGOUT, '( A, I3, 1X, 1PD13.5 )' )\n & 'RXRAT ', N, RXRAT( NCELL, N )\n END DO\n END IF\n END IF\n#endif\nc++++++++++++++++++++++++Debug section++++++++++++++++++++++++++++++++++\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Call routines to compute concentrations of groups 1-4\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n CALL HRG1( DTC )\n\n CALL HRG2( DTC )\n\n CALL HRG3( DTC )\n\n CALL HRG4( DTC )\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Do the Euler backward method\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n CALL HRPRODLOSS\n\n DO EBI = 1, N_EBISP\n S = EBISP( EBI )\n YCP( S ) = YC( S )*( ( YC0( S ) + PROD( S ) * DTC )\n & / ( YC( S ) + LOSS( S ) * DTC ) )\n END DO\n\nc..Special treatment of PAR because of negative product stoichiometry\n IF( PNEG( PAR ) .GT. 0.0D0 ) THEN\n FXDLOSS = PNEG( PAR ) * DTC\n IF( FXDLOSS .GE. YC0( PAR ) + PROD( PAR ) * DTC ) THEN\n YCP( PAR ) = 0.0D0\n ELSE\n VARLOSS = MAX( LOSS( PAR ) - PNEG( PAR ) , ZERO )\n YCP( PAR ) = ( YC0( PAR ) + PROD( PAR ) * DTC - \n & FXDLOSS ) / ( 1.0D0 + VARLOSS * DTC / YC( PAR ) )\n END IF\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Check for convergence\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n LEBI_CONV = .TRUE.\n MXFL = .FALSE.\n\n DO S = 1, NUMB_MECH_SPC\n LEBISPFL( S ) = .FALSE.\n YCP( S ) = MAX( ZERO, YCP( S ) )\n AERROR( S ) = MAX( ABS( YC(S)-YCP(S) ), EPSLON )\n RERROR( S ) = AERROR( S ) / MAX( FLOOR, ABS( YC(S)+YCP(S) ) )\n IF( RERROR( S ) .GT. RTOL(S) .OR. AERROR( S ) .GT. 1.0D-5 )THEN\n LEBI_CONV = .FALSE.\n LEBISPFL( S ) = .TRUE.\n END IF\nc..test if predictions growing too large\n IF( YCP( S ) .GT. MAXPRED .AND. NOTMAX( S ) ) THEN\n MXFL = .TRUE.\n LEBI_CONV = .FALSE.\n LEBISPFL( S ) = .TRUE.\n END IF\n YC( S ) = YCP( S )\n END DO\nc..test if predictions growing too large, abort interation loop\n IF( MXFL ) EXIT ITER_SUBSTEP\n\nc++++++++++++++++++++++++Debug section++++++++++++++++++++++++++++++++++\n#ifdef hrdebug\n IF( LDEBUG ) THEN\n WRITE( DBGOUT, '( A, I5 )' ) 'Concs after ITER= ', ITER\n DO S = 1, NUMB_MECH_SPC\n\n IF( LEBISPFL( S ) ) THEN\n NOTE = 'CONV FAIL'\n ELSE\n NOTE = ' '\n END IF\n\n WRITE( DBGOUT, '( I3, 1X, A, 1PD13.5, 1X, A )' )\n & S, CHEMISTRY_SPC( S ), YC( S ), NOTE\n END DO\n IF( LEBI_CONV ) WRITE( DBGOUT, '( A )' )\n & '****Convergence achieved'\n END IF\n#endif\nc++++++++++++++++++++++++Debug section++++++++++++++++++++++++++++++++++\n\n IF( LEBI_CONV ) THEN\n\n DTG = 60.0D0 * DTC\n DO S = 1, NUMB_MECH_SPC\n M = CGRID_INDEX( S )\n YCCELL( M ) = YC( S )\n END DO\n#if defined(isam) || defined(verbose_isam)\n SA_DEGRADE_STEP = SA_DEGRADE_STEP + 1\n#endif\n IF( CALL_DEG )CALL DEGRADE(YCCELL, DTG, JDATE, JTIME) ! :WTH Call degradation routine\n\n IF( CALL_IRR ) CALL PA_IRR ( .FALSE., RKI, YC, DTC )\n#ifdef isam\n IF( NEBI .EQ. N_EBI_STEPS )UPDATE_SOLD = .TRUE.\n CALL SA_IRR_UNBLOCKED ( .FALSE., RKI, YC, DTC )\n UPDATE_PROBABILITIES = .FALSE.\n#endif\n\n#ifdef sens\nC Update the sum for the average over the chemistry integration\n YCDDM = YCDDM\n & + ( ( 0.5D0 * DTC ) * ( YC + YC0 ) )\n#endif\n\n CYCLE SUBSTEP_EBI ! solve for next sub time-step\n\n END IF\n\n END DO ITER_SUBSTEP\n! interating for substep failed, attempt to increase number of sub time-steps\n NBKUPS = NBKUPS + 1\n\n! IF( NBKUPS .LE. MXBKUPS ) THEN\n IF ( DTC .GT. DTMIN ) THEN\n! reset YC and cut sub time-step in half\n IF ( MXFL ) THEN\n WRITE( LOGDEV, 92008 ) NBKUPS\n WRITE( LOGDEV, 92009 ) C+PECOL_OFFSET, R+PEROW_OFFSET, L\n DO S = 1, NUMB_MECH_SPC\n IF( LEBISPFL( S ) )WRITE( LOGDEV, 92010 )TRIM( CHEMISTRY_SPC( S ) ),\n & YC0(S), YCP(S)\n END DO\n ELSE\n WRITE( LOGDEV, 92000 ) C+PECOL_OFFSET, R+PEROW_OFFSET, L, NBKUPS\n DO S = 1, NUMB_MECH_SPC\n IF( LEBISPFL( S ) )WRITE( LOGDEV, 92010 )TRIM( CHEMISTRY_SPC( S ) ),\n & YC0(S), YCP(S)\n END DO\n END IF\n\n YC = YC0 ! Set ICs for EBI time-step\n\n DTC = 0.5D0 * DTC\n\n N_INR_STEPS = 2 ** NBKUPS\n\n EXIT SUBSTEP_EBI\n\n ELSE\n\n WRITE( LOGDEV, 92040 ) C+PECOL_OFFSET, R+PEROW_OFFSET, L\n\n WRITE( LOGDEV, 92060 )\n DO S = 1, NUMB_MECH_SPC\n IF( LEBISPFL( S ) ) WRITE( LOGDEV, 92080 ) CHEMISTRY_SPC( S ),\n & YC0(S), YCP(S)\n END DO\n\n MSG = 'ERROR: Stopping because of EBI convergence failures'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT2 )\n\n END IF\n\n END DO SUBSTEP_EBI\n\n IF( LEBI_CONV )THEN\n NEBI = 1 + NEBI\n! test for completing final EBI time-step\n IF( NEBI .GT. N_EBI_STEPS )EXIT TSTEP_EBI\n! test whether backups were done\n IF( NBKUPS .EQ. 0 )CYCLE TSTEP_EBI\n! Reset NBKUPS, N_INR_STEPS and sub-time step\n NBKUPS = 0\n N_INR_STEPS = 1\n DTC = EBI_TMSTEP\n END IF\n\n END DO TSTEP_EBI\n\n#ifdef sens\n! Compute average over integration and filter values\n YCDDM = YCDDM / CHEMSTEP\n WHERE ( YCDDM .LT. 1.0D-25 ) YCDDM = 0.0D0\n#endif\n\n\n RETURN\n\n\n91000 FORMAT( 'WARNING: EBI solver in cell (',2(I4,','),I4,') Init.Conc. for ',\n & A16, ' = ', ES12.4,' ppmV')\n\n92000 FORMAT( 'WARNING: EBI Euler convergence failure' /\n & ' Reducing EBI time step because of ',\n & ' convergence failure in ' /\n & ' Cell (', I3, ', ', I3, ', ', I3, ')' ,\n & ' Solution Attempt #', I2 /\n & ' Below Species Causing Error: Init.Conc, Pred.Conc.' )\n\n92008 FORMAT( 'WARNING: At solution attempt #', I2 )\n92009 FORMAT( 'WARNING: EBI Euler convergence failure' /\n & ' Reducing EBI time step because of ',\n & ' MAXPRED failure in ' /\n & ' Cell (', I3, ', ', I3, ', ', I3, ')' ,\n & ' for the below species: : Init.Conc, Pred.Conc.')\n92010 FORMAT( A16, 2(1X,ES12.4), ' ppmV' )\n\n92040 FORMAT( 'ERROR: Max number of EBI time step reductions exceeded'\n & / ' Convergence failure for cell (', I3, ', ', I3,\n & ', ', I3, ')' )\n\n92060 FORMAT( ' Convergence failure for the following species:',\n & 'Init.Conc, Pred.Conc.' )\n\n92080 FORMAT( 10X, A, 2(1X,ES12.4), ' ppmV ' )\n\n92061 FORMAT( ' Convergence failure for the following species:',\n & 'Init.Conc, Pred.Conc.,Rel.Error,' )\n\n92081 FORMAT( 10X, A, 2(1X,ES12.4), ' ppmV ', ES12.4,'%' )\n\n END\n" }, { "path": "CCTM/src/gas/ebi_cb6r5_ae7_aq/hrdata_mod.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n MODULE HRDATA\n\nC*************************************************************************\nC\nC FUNCTION: Mechanism & solver data for EBI solver\nC\nC PRECONDITIONS: For the CB6R5_AE7_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 8, 2022\nC\nC 18 Jul 14 B.Hutzell: revised to use real(8) variables for solution\nC*************************************************************************\n\nc..EBI solver fixed parameters\n INTEGER, PARAMETER :: NEBITER = 1000 ! No. of iterations for EBI\n INTEGER, PARAMETER :: MAX_CELLS_EBI = 1 ! max # cells in local conc arrays\n REAL( 8 ), PARAMETER :: DELTAT = 2.500D+00 ! EBI time step (min)\n\nc..Mechanism specific variables\n INTEGER N_SPEC ! No. of species in mechanism\n INTEGER N_RXNS ! No. of reactions in mechanism\n INTEGER N_EBISP ! No. of species solved by EBI\n INTEGER NING1 ! No. of species in group 1\n INTEGER NING2 ! No. of species in group 2\n INTEGER N_SPCL_RKS ! No. of special rate constants\n INTEGER N_ACTSP ! No. of species in mechanism (non-ss spec)\n INTEGER NCELL ! cell number in EBI Block\n\nc..Control flags\n LOGICAL L_AE_VRSN ! Flag for aerosol version of mech\n LOGICAL L_AQ_VRSN ! Flag for aqueous chemistry version of mech\n LOGICAL CALL_IRR ! Flag initializing for IRR and calling PA_IRR\n\n ! SWITCH for calling DEGRADE routine\n LOGICAL, SAVE :: CALL_DEG = .TRUE.\n\nc..Miscellaneous variables\n INTEGER N_EBI_IT ! No. of iterations for EBI\n INTEGER N_EBI_STEPS ! No. of time steps for EBI\n INTEGER N_INR_STEPS ! No. of inner time steps for EBI\n INTEGER PECOL_OFFSET ! Local Column Offset for processor\n INTEGER PEROW_OFFSET ! Local Column Offset for processor\n \n INTEGER, SAVE :: MODEL_SPECIES ! No. of species in CGRID\n\n REAL( 8 ) EBI_TMSTEP ! Time step for EBI loops (min)\n REAL( 8 ) CHEMSTEP ! Chemistry integration interval (min)\n\nc...Allocatable arrays\n INTEGER, ALLOCATABLE :: EBISP( : ) ! Index of EBI species\n INTEGER, ALLOCATABLE :: SSASP( : ) ! Index of ss species\n INTEGER, ALLOCATABLE :: ACTSP( : ) ! Index of active species\n INTEGER, ALLOCATABLE :: IOLD2NEW( :,: ) ! YC species map, used if NSPECIAL > 0\n\n REAL( 8 ), ALLOCATABLE :: RKI( : ) ! Rate constants\n REAL( 8 ), ALLOCATABLE :: RKI_SAV( :, : ) ! Saved values of RKI for SS species calcs\n\n REAL( 8 ), ALLOCATABLE :: YC ( : ) ! Species concentrations\n REAL( 8 ), ALLOCATABLE :: YC0( : ) ! Species concentrations\n REAL( 8 ), ALLOCATABLE :: YCP( : ) ! Species concentrations\n REAL( 8 ), ALLOCATABLE :: SYC( :, : ) ! Species concentrations\n\n REAL, ALLOCATABLE :: FORWARD_CONV( : ) ! CGRID to CHEM Species conversion factor\n REAL, ALLOCATABLE :: REVERSE_CONV( : ) ! CHEM to CGRID Species conversion factor\n\n REAL( 8 ), ALLOCATABLE :: RXRAT( : ) ! Reaction rates\n REAL( 8 ), ALLOCATABLE :: RTOL( : ) ! Species tolerances\n REAL( 8 ), ALLOCATABLE :: YCCELL( : ) ! ALL Species in cgrid\n REAL( 8 ), ALLOCATABLE :: PROD( : ) ! Prod of species\n REAL( 8 ), ALLOCATABLE :: LOSS( : ) ! Loss of species\n REAL( 8 ), ALLOCATABLE :: PNEG( : )! Negative production rates\n\n REAL, ALLOCATABLE :: PRES( :, :, : ) ! pressure (Pa)\n REAL, ALLOCATABLE :: QV ( :, :, : ) ! water vapor (Kg/Kg air)\n REAL, ALLOCATABLE :: TA ( :, :, : ) ! temperature (K)\n\n REAL, ALLOCATABLE :: SEAICE ( :, :) ! fractional seaice cover, [-]\n REAL, ALLOCATABLE :: DENS( :, :, : ) ! mass density (Kg/m^3)\n\n REAL, ALLOCATABLE :: SEAWATER_ZONE ( :,: ) ! fractional area of OPEN+SURF\n LOGICAL, ALLOCATABLE :: LFLAGIRR ( :,:,: ) ! Conduct IRR for cell\n\n REAL( 8 ), ALLOCATABLE :: ATMPRES ( : ) ! Cell pressure, Atm\n! REAL( 8 ), ALLOCATABLE :: PRESCELL( : ) ! Cell pressure, Pa\n REAL( 8 ), ALLOCATABLE :: H2O ( : ) ! Cell H2O mixing ratio (ppmV)\n REAL( 8 ), ALLOCATABLE :: TEMP ( : ) ! Cell Temperature\n REAL( 8 ), ALLOCATABLE :: DENSITY ( : ) ! Cell mass density (Kg/m3)\n REAL( 8 ), ALLOCATABLE :: HET ( :, : ) ! cell heterogeneous reaction rates\n REAL( 8 ), ALLOCATABLE :: RJIN ( :, : ) ! J-values for a cell\n REAL( 8 ), ALLOCATABLE :: SEAWATER ( : ) ! fractional area of OPEN+SURF for specific cell\n\nc..Species indices\n INTEGER, PARAMETER :: NO2 = 1\n INTEGER, PARAMETER :: NO = 2\n INTEGER, PARAMETER :: O = 3\n INTEGER, PARAMETER :: O3 = 4\n INTEGER, PARAMETER :: NO3 = 5\n INTEGER, PARAMETER :: O1D = 6\n INTEGER, PARAMETER :: OH = 7\n INTEGER, PARAMETER :: HO2 = 8\n INTEGER, PARAMETER :: H2O2 = 9\n INTEGER, PARAMETER :: N2O5 = 10\n INTEGER, PARAMETER :: HNO3 = 11\n INTEGER, PARAMETER :: HONO = 12\n INTEGER, PARAMETER :: PNA = 13\n INTEGER, PARAMETER :: SO2 = 14\n INTEGER, PARAMETER :: SULF = 15\n INTEGER, PARAMETER :: SULRXN = 16\n INTEGER, PARAMETER :: C2O3 = 17\n INTEGER, PARAMETER :: MEO2 = 18\n INTEGER, PARAMETER :: RO2 = 19\n INTEGER, PARAMETER :: PAN = 20\n INTEGER, PARAMETER :: PACD = 21\n INTEGER, PARAMETER :: AACD = 22\n INTEGER, PARAMETER :: CXO3 = 23\n INTEGER, PARAMETER :: ALD2 = 24\n INTEGER, PARAMETER :: XO2H = 25\n INTEGER, PARAMETER :: PANX = 26\n INTEGER, PARAMETER :: FORM = 27\n INTEGER, PARAMETER :: MEPX = 28\n INTEGER, PARAMETER :: MEOH = 29\n INTEGER, PARAMETER :: ROOH = 30\n INTEGER, PARAMETER :: XO2 = 31\n INTEGER, PARAMETER :: XO2N = 32\n INTEGER, PARAMETER :: NTR1 = 33\n INTEGER, PARAMETER :: NTR2 = 34\n INTEGER, PARAMETER :: FACD = 35\n INTEGER, PARAMETER :: CO = 36\n INTEGER, PARAMETER :: HCO3 = 37\n INTEGER, PARAMETER :: ALDX = 38\n INTEGER, PARAMETER :: GLYD = 39\n INTEGER, PARAMETER :: GLY = 40\n INTEGER, PARAMETER :: MGLY = 41\n INTEGER, PARAMETER :: ETHA = 42\n INTEGER, PARAMETER :: ETOH = 43\n INTEGER, PARAMETER :: KET = 44\n INTEGER, PARAMETER :: PAR = 45\n INTEGER, PARAMETER :: ACET = 46\n INTEGER, PARAMETER :: PRPA = 47\n INTEGER, PARAMETER :: XPRP = 48\n INTEGER, PARAMETER :: XPAR = 49\n INTEGER, PARAMETER :: ROR = 50\n INTEGER, PARAMETER :: ETHY = 51\n INTEGER, PARAMETER :: ETH = 52\n INTEGER, PARAMETER :: OLE = 53\n INTEGER, PARAMETER :: IOLE = 54\n INTEGER, PARAMETER :: ISOP = 55\n INTEGER, PARAMETER :: ISO2 = 56\n INTEGER, PARAMETER :: ISOPRXN = 57\n INTEGER, PARAMETER :: ISPD = 58\n INTEGER, PARAMETER :: INTR = 59\n INTEGER, PARAMETER :: ISPX = 60\n INTEGER, PARAMETER :: HPLD = 61\n INTEGER, PARAMETER :: OPO3 = 62\n INTEGER, PARAMETER :: EPOX = 63\n INTEGER, PARAMETER :: EPX2 = 64\n INTEGER, PARAMETER :: TERP = 65\n INTEGER, PARAMETER :: TRPRXN = 66\n INTEGER, PARAMETER :: TERPNRO2 = 67\n INTEGER, PARAMETER :: APIN = 68\n INTEGER, PARAMETER :: BENZENE = 69\n INTEGER, PARAMETER :: CRES = 70\n INTEGER, PARAMETER :: BZO2 = 71\n INTEGER, PARAMETER :: OPEN = 72\n INTEGER, PARAMETER :: BENZRO2 = 73\n INTEGER, PARAMETER :: TOL = 74\n INTEGER, PARAMETER :: TO2 = 75\n INTEGER, PARAMETER :: TOLRO2 = 76\n INTEGER, PARAMETER :: XOPN = 77\n INTEGER, PARAMETER :: XYLMN = 78\n INTEGER, PARAMETER :: XLO2 = 79\n INTEGER, PARAMETER :: XYLRO2 = 80\n INTEGER, PARAMETER :: NAPH = 81\n INTEGER, PARAMETER :: PAHRO2 = 82\n INTEGER, PARAMETER :: CRO = 83\n INTEGER, PARAMETER :: CAT1 = 84\n INTEGER, PARAMETER :: CRON = 85\n INTEGER, PARAMETER :: OPAN = 86\n INTEGER, PARAMETER :: ECH4 = 87\n INTEGER, PARAMETER :: CL2 = 88\n INTEGER, PARAMETER :: CL = 89\n INTEGER, PARAMETER :: HOCL = 90\n INTEGER, PARAMETER :: CLO = 91\n INTEGER, PARAMETER :: FMCL = 92\n INTEGER, PARAMETER :: HCL = 93\n INTEGER, PARAMETER :: CLNO2 = 94\n INTEGER, PARAMETER :: CLNO3 = 95\n INTEGER, PARAMETER :: SVAVB2 = 96\n INTEGER, PARAMETER :: SVAVB3 = 97\n INTEGER, PARAMETER :: SVAVB4 = 98\n INTEGER, PARAMETER :: SVAVB1 = 99\n INTEGER, PARAMETER :: SESQ = 100\n INTEGER, PARAMETER :: SESQRXN = 101\n INTEGER, PARAMETER :: SOAALK = 102\n INTEGER, PARAMETER :: H2NO3PIJ = 103\n INTEGER, PARAMETER :: H2NO3PK = 104\n INTEGER, PARAMETER :: ACLI = 105\n INTEGER, PARAMETER :: ACLJ = 106\n INTEGER, PARAMETER :: ACLK = 107\n INTEGER, PARAMETER :: IEPOXP = 108\n INTEGER, PARAMETER :: ASO4J = 109\n INTEGER, PARAMETER :: AISO3J = 110\n INTEGER, PARAMETER :: AGLYJ = 111\n INTEGER, PARAMETER :: MTNO3 = 112\n INTEGER, PARAMETER :: AMTNO3J = 113\n INTEGER, PARAMETER :: AMTHYDJ = 114\n INTEGER, PARAMETER :: AAVB2J = 115\n INTEGER, PARAMETER :: AOLGAJ = 116\n INTEGER, PARAMETER :: AAVB3J = 117\n INTEGER, PARAMETER :: AAVB4J = 118\n INTEGER, PARAMETER :: AISO1J = 119\n INTEGER, PARAMETER :: AOLGBJ = 120\n INTEGER, PARAMETER :: AISO2J = 121\n INTEGER, PARAMETER :: ASQTJ = 122\n INTEGER, PARAMETER :: APOCI = 123\n INTEGER, PARAMETER :: APNCOMI = 124\n INTEGER, PARAMETER :: APOCJ = 125\n INTEGER, PARAMETER :: APNCOMJ = 126\n INTEGER, PARAMETER :: PCVOC = 127\n INTEGER, PARAMETER :: PCSOARXN = 128\n INTEGER, PARAMETER :: VLVPO1 = 129\n INTEGER, PARAMETER :: VSVPO1 = 130\n INTEGER, PARAMETER :: VSVPO2 = 131\n INTEGER, PARAMETER :: VSVPO3 = 132\n INTEGER, PARAMETER :: VIVPO1 = 133\n INTEGER, PARAMETER :: VLVOO1 = 134\n INTEGER, PARAMETER :: VLVOO2 = 135\n INTEGER, PARAMETER :: VSVOO2 = 136\n INTEGER, PARAMETER :: VSVOO3 = 137\n INTEGER, PARAMETER :: VSVOO1 = 138\n INTEGER, PARAMETER :: FORM_PRIMARY = 139\n INTEGER, PARAMETER :: ALD2_PRIMARY = 140\n INTEGER, PARAMETER :: BUTADIENE13 = 141\n INTEGER, PARAMETER :: ACROLEIN = 142\n INTEGER, PARAMETER :: ACRO_PRIMARY = 143\n INTEGER, PARAMETER :: TOLU = 144\n INTEGER, PARAMETER :: HG = 145\n INTEGER, PARAMETER :: HGIIAER = 146\n INTEGER, PARAMETER :: HGIIGAS = 147\n INTEGER, PARAMETER :: DMS = 148\n INTEGER, PARAMETER :: MSA = 149\n\n END MODULE HRDATA\n" }, { "path": "CCTM/src/gas/ebi_cb6r5_ae7_aq/hrdriver.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE CHEM( CGRID, JDATE, JTIME, TSTEP )\nC**********************************************************************\nC\nC FUNCTION: Driver subroutine for Euler Backward Iterative solver\nC\nC PRECONDITIONS: For the CB6R5_AE7_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: HRINIT, HRCALCKS, HRSOLVER\nC FIND_DEGRADED, INIT_DEGRADE, FINAL_DEGRADE\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 8, 2022\nC Based on the algorithm in \"Test of Two Numerical\nC Schemes for Use in Atmospheric Transport-Chemistry\nC Models\", O. Hertel, R. Berkowicz, J. Christensen,\nC and O. Hov, Atm Env., Vol. 27A, No. 16, 1993.\nC Original MEBI code developed by Ho-Chun Huang,\nC SUNY, Albany -- \"On the performance of numerical\nC solvers for a chemistry submodel in three-dimensional\nC air quality models 1. Box model simulations\",\nC H. Huang and J.S. Chang, JGR, Vol 106, No. D17, 2001.\nC This version replaces Huang and Chang use of numerical\nC solutions with analytical solutions derived in\nC Hertel et al.\nC 21 Jun 10 J.Young: convert for Namelist redesign\nC 11 May 11 D.Wong: incorporated twoway model implementation\nC 27 Sep 11 B.Hutzell: revised method for defining CALL_DEG variable\nC 18 Jul 14 B.Hutzell: revised: 1) to use the RXNS_DATA and RXNS_FUNCTION\nC modules instead of include files, 2) to enable\nC reactions between species types, 3) to calculate\nC heterogeneous rate constants via AEROSOL_CHEMISTRY\nC module, 4) to replace call to HRCALCKS with\nC subroutine in RXNS_FUNCTION module and 5) to change\nC how degrade routines are used, if present\nC 02 Dec 14 B.Hutzell: 1) added terrestrial data to conduct surface\nC dependent reactions and 2) modified the call CALC_RCONST\nC routine\nC 01 Feb 19 D.Wong: Implemented centralized I/O approach, removed all MY_N\nC clauses\nC**********************************************************************\n\n USE HGRD_DEFN ! horizontal domain specifications\n USE VGRD_DEFN ! vertical layer specifications\n USE CGRID_SPCS ! CGRID mechanism species\n USE UTILIO_DEFN ! IOAPI parameters and functions declarations\n USE RXNS_DATA\n USE AEROSOL_CHEMISTRY\n USE RXNS_FUNCTION\n#ifdef isam\n USE SA_IRR_DEFN\n USE SA_DEFN\n#endif\n USE HRDATA\n USE PHOT_MOD, Only: INIT_PHOT_SHARED, RJ ! photolysis rate, in-line module\n USE PA_DEFN, Only: LIRR ! Process Analysis control and data variable\n USE PA_IRR_CLT\n#ifndef isam\n USE DEGRADE_ROUTINES, ONLY : N_REACT, RXTANT_MAP, DEG_LAY, DEG_COL, DEG_ROW,\n & FIND_DEGRADED, INIT_DEGRADE, FINAL_DEGRADE\n#else\n USE DEGRADE_ROUTINES, ONLY : N_REACT, RXTANT_MAP, SA_DEGRADE_EXTRACT,\n & FIND_DEGRADED, INIT_DEGRADE, FINAL_DEGRADE,\n & SA_DEGRADE_UPLOAD, DEG_LAY, DEG_COL, DEG_ROW\n#endif\n USE CENTRALIZED_IO_MODULE, ONLY : INTERPOLATE_VAR, OCEAN, SZONE\n#ifdef sens\n USE DDM3D_CHEM\n Use DDM3D_DEFN, Only: DATENUM, STARTDATE, IPT, IDATE, HIGH, NP, NPMAX, CKTIME\n#endif\n\n IMPLICIT NONE\n\nC..Includes:\n INCLUDE SUBST_FILES_ID ! CMAQ files\n INCLUDE SUBST_CONST ! CMAQ constants\n\n INCLUDE SUBST_EMISPRM ! Emissions processing control parameters\n\nC..Arguments:\n REAL, POINTER :: CGRID( :,:,:,: ) ! Species concentrations\n INTEGER JDATE ! Current date (YYYYDDD)\n INTEGER JTIME ! Current time (HHMMSS)\n INTEGER TSTEP( 3 ) ! Time step vector (HHMMSS)\n\nC..Parameters:\n REAL( 8 ), PARAMETER :: DCONMIN = 1.0D-30 ! minimum species concentration allowed\n REAL, PARAMETER :: CONCMIN = 1.0E-30 ! minimum species concentration allowed\n REAL, PARAMETER :: MAOMV = 1.0E6 * MWAIR / MWWAT ! Mol Wt of air over Mol Wt of water times 1.0E6\n\nC..External Functions:\n\n\nC..Saved Local Variables:\n\n CHARACTER( 16 ), SAVE :: PNAME = 'HRDRIVER' ! Program name\n\n INTEGER, SAVE :: ISTFL ! Unit no. of iteration stat output file\n LOGICAL, SAVE :: LFIRST = .TRUE. ! Flag for first call to this subroutine\n\n REAL( 8 ), SAVE :: PA2ATM ! Pascal to atm conv fac\n\nC..Scratch Local Variables:\n CHARACTER( 132 ) :: MSG ! Message text\n CHARACTER( 16 ) :: VNAME ! Name of I/O API data variable\n\n INTEGER C, E, L, R, S ! Loop indices\n INTEGER ISP ! array index\n\n INTEGER AVGEBI ! Average no. of EBI iterations\n INTEGER DELT_SEC ! EBI max time step in seconds\n INTEGER ESP ! Loop index for emissions species\n INTEGER ITMSTEP ! Chemistry integration interval (sec)\n INTEGER LEV ! Layer index\n INTEGER MIDDATE ! Date at time step midpoint\n INTEGER MIDTIME ! Time at time step midpoint\n INTEGER NPH ! Index for number of phot. rxns in PHOT\n INTEGER SPC ! Species loop index\n#ifdef hrstats\n INTEGER MNEBI ! Min no. of EBI iterations\n INTEGER MXEBI ! Max no. of EBI iterations\n#endif\n\n LOGICAL LSUNLIGHT ! Flag for sunlight\n\n REAL INV_DENS ! reciprocal of air mass density, m3/Kg\n#ifdef hrstats\n REAL SUMEBI ! Sum of EBI iterations\n#endif\n\n INTERFACE\n SUBROUTINE HRSOLVER( JDATE, JTIME, C, R, L )\n INTEGER, INTENT( IN ) :: JDATE ! Current date (YYYYDDD)\n INTEGER, INTENT( IN ) :: JTIME ! Current time (HHMMSS)\n INTEGER, INTENT( IN ) :: C, R, L ! Cell col, row, lev\n END SUBROUTINE HRSOLVER\n SUBROUTINE HETCHEM_UPDATE_AERO( CGRID )\n REAL, POINTER :: CGRID( :,:,:,: ) ! species concentration in cell\n END SUBROUTINE HETCHEM_UPDATE_AERO\n END INTERFACE\n\nC**********************************************************************\n\n IF( NUMB_MECH_SPC .EQ. 0 ) RETURN\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc On first call, call routines to set-up for EBI solver\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF( LFIRST ) THEN\n\n IF( MECHNAME .NE. 'CB6R5_AE7_AQ' ) THEN\n MSG = 'This version of the EBI solver can only be used with'\n & // ' the CB6R5_AE7_AQ chemical mechanism'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n#ifdef emis_chem\n EMISVD = .FALSE.\n#else\n EMISVD = .TRUE.\n#endif\n\n IF( INDEX( MECHNAME, 'AE' ) .NE. 0 ) THEN\n L_AE_VRSN = .TRUE.\n ELSE\n L_AE_VRSN = .FALSE.\n END IF\n\n IF( INDEX( MECHNAME, 'AQ' ) .NE. 0 ) THEN\n L_AQ_VRSN = .TRUE.\n ELSE\n L_AQ_VRSN = .FALSE.\n END IF\n\n IF( LIRR ) THEN\n CALL_IRR = .TRUE.\n ELSE\n CALL_IRR = .FALSE.\n END IF\n\n MODEL_SPECIES = NSPCSD ! WTH: find number of model species\n\n! Determine whether DEGRADE rountines are needed.\n\n CALL FIND_DEGRADED( JDATE, JTIME, CALL_DEG )\n IF( CALL_DEG )THEN\n WRITE(LOGDEV,*)'TX DEGRADE ROUTINES USED'\n WRITE(LOGDEV,*)'Mechanism contains degraded species'\n#ifdef verbose_gas\n ELSE\n WRITE(LOGDEV,*)'TX DEGRADE ROUTINES OMITTED'\n WRITE(LOGDEV,*)'MECHANISM does not include degraded species'\n#endif\n END IF\n\n CALL HRINIT\n\n ITMSTEP = TIME2SEC( TSTEP( 2 ) )\n CHEMSTEP = REAL( ITMSTEP, 8 ) / 60.0D0\n WRITE( LOGDEV, 92000 ) CHEMSTEP, DELTAT\n\n WRITE( LOGDEV, 92020 )\n DO SPC = 1, NUMB_MECH_SPC\n WRITE( LOGDEV, 92040 ) CHEMISTRY_SPC( SPC ), RTOL( SPC )\n END DO\n\n PA2ATM = REAL( 1.0 / STDATMPA, 8)\n\nc..If emissions processing requested stop\n IF( .NOT. EMISVD ) THEN ! assumes emis processing in gas chem\n\n MSG = 'ERROR: EBI solver not configured to '//\n & 'process emissions in chemistry'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n\n END IF ! End if doing emissions\n\n\n#ifdef hrstats\n ISTFL = JUNIT()\n OPEN( UNIT=ISTFL, FILE='iterstat.dat' )\n WRITE( ISTFL, 94020 )\n#endif\nC Define processor offsets\n\n PECOL_OFFSET = COLSD_PE( 1, MYPE+1 ) - 1\n PEROW_OFFSET = ROWSD_PE( 1, MYPE+1 ) - 1\n\n ALLOCATE( SEAWATER_ZONE( NCOLS, NROWS ) )\n DO R = 1, NROWS\n DO C = 1, NCOLS\n SEAWATER_ZONE( C,R ) = OCEAN( C,R ) + SZONE( C,R )\n END DO\n END DO\n\n ALLOCATE( DENS( NCOLS, NROWS, NLAYS ), PRES( NCOLS, NROWS, NLAYS ),\n & QV ( NCOLS, NROWS, NLAYS ), TA ( NCOLS, NROWS, NLAYS ),\n & SEAICE( NCOLS, NROWS ) )\n\nC..Initialize shared photolysis data\n CALL INIT_PHOT_SHARED()\n\nC..Determine which cells need IRR\n ALLOCATE( LFLAGIRR ( NCOLS, NROWS, NLAYS ) )\n CALL PA_IRR_CKCELLS ( LFLAGIRR )\n\n#ifdef isam\n NUMB_ISAM_CELLS = 1.0D0 / ( NCOLS * NROWS * NLAYS )\n CALL SA_IRR_INIT\n#endif\n\n#ifdef sens\n CALL INIT_DDM3D_CHEM()\n\nC For higher order sensitivities\n IF ( HIGH ) THEN\n DO RXN = 1, NRXNS\n IF( NREACT( RXN ) .EQ. 1 ) THEN\n ORDER1( RXN ) = .TRUE.\n ELSE\n ORDER1( RXN ) = .FALSE.\n END IF\n END DO\n END IF\n#endif\n\n LFIRST = .FALSE.\n\n END IF ! First time\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC Set date and time to center of time step, get necessary physical\nC data\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n MIDDATE = JDATE\n MIDTIME = JTIME\n ITMSTEP = TIME2SEC( TSTEP( 2 ) )\n CHEMSTEP = REAL( ITMSTEP, 8 ) / 60.0D0\n CALL NEXTIME( MIDDATE, MIDTIME, SEC2TIME( ITMSTEP / 2 ) )\n\nC.. Compute number of time step loops and step size for EBI solver\n DELT_SEC = INT( DELTAT * 60.0D0 + 0.1D0 )\n IF( DELT_SEC .GE. ITMSTEP ) THEN\n N_EBI_STEPS = 2\n EBI_TMSTEP = 0.5D0 * CHEMSTEP\n ELSE\n IF( MOD( ITMSTEP, DELT_SEC ) .EQ. 0 ) THEN\n N_EBI_STEPS = ITMSTEP / DELT_SEC\n ELSE\n N_EBI_STEPS = ITMSTEP / DELT_SEC + 1\n END IF\n EBI_TMSTEP = CHEMSTEP / REAL( N_EBI_STEPS, 8 )\n END IF\n\n N_INR_STEPS = 1\n\n\nC.. Get fractional seaice coverage from the METCRO2D file.\n\n CALL INTERPOLATE_VAR ('SEAICE', MIDDATE, MIDTIME, SEAICE)\n\nC.. Get ambient temperature in K\n\n CALL INTERPOLATE_VAR ('TA', MIDDATE, MIDTIME, TA)\n\nC.. Get specific humidity in Kg H2O / Kg air\n CALL INTERPOLATE_VAR ('QV', MIDDATE, MIDTIME, QV)\n\n! Get ambient MASS DENSITY in Kg/m^3\n CALL INTERPOLATE_VAR ('DENS', MIDDATE, MIDTIME, DENS)\n\nC.. Get pressure in Pascals\n CALL INTERPOLATE_VAR ('PRES', MIDDATE, MIDTIME, PRES)\n\nC.. Get Heteorogeneous rates and Update Aerosol Distribution Properties\n CALL HETCHEM_RATES( TA, PRES, QV, CGRID, DENS )\n\n#ifdef sens\n DATENUM = 1 + JDATE - STARTDATE ! Set the date and hour counters used in sensitivity calls\n\nC For reaction rate sensitivities\n DO NP = 1, NPMAX\n IF ( IPT( NP ) .EQ. 5 ) THEN\n CALL CKTIME( JDATE,JTIME,NP,RXNFLAG(NP) ) ! Rxnflag set to true iff ipt=5 and time, date within bounds\n IF ( IDATE( NP, DATENUM ) .NE. 1 ) RXNFLAG( NP ) = .FALSE.\n ELSE\n RXNFLAG( NP ) = .FALSE.\n END IF\n END DO\n\n#endif sens\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Top of loop over cells\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n#ifdef hrstats\n MNEBI = 1000\n MXEBI = 0\n SUMEBI = 0.0\n#endif\n\n NCELL = 1\n\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n\n DEG_LAY = L\n DEG_ROW = R\n DEG_COL = C\n\nc..reset CALL_IRR based on cell's values\n CALL_IRR = LFLAGIRR( C,R,L )\n\nc..Load ICs\n INV_DENS = 1.0 / DENS( C,R,L )\n DO SPC = 1, NUMB_MECH_SPC\n S = CGRID_INDEX( SPC )\n IF( CONVERT_CONC( SPC ) )THEN\n YC( SPC ) = REAL( MAX( CONCMIN,\n & INV_DENS*FORWARD_CONV( SPC )*CGRID( C,R,L,S )), 8 )\n ELSE\n YC( SPC ) = REAL( MAX( CGRID( C,R,L,S ), CONCMIN), 8 )\n END IF\n END DO\n\n IF(CALL_DEG)THEN ! INITIALIZE degradation routines\n\n YCCELL = 0.0D0\n DO S = 1, MODEL_SPECIES\n YCCELL( S ) = REAL( CGRID(C,R,L,S), 8)\n END DO\n CALL INIT_DEGRADE(YCCELL,TA(C,R,L),DENS(C,R,L),PRES(C,R,L),QV(C,R,L),RJIN(NCELL,:),\n & JDATE, JTIME)\n\n#ifdef isam\n CALL SA_DEGRADE_EXTRACT( C,R,L,DENS(C,R,L) )\n#endif\n END IF\n\nc..Set physical quantities\n TEMP( NCELL ) = REAL( TA( C,R,L ), 8)\n DENSITY( NCELL ) = REAL( DENS( C,R,L ), 8)\n! PRESCELL( NCELL ) = REAL( PRES( C,R,L ), 8)\n ATMPRES( NCELL ) = PA2ATM * REAL( PRES( C,R,L ), 8)\n H2O( NCELL ) = REAL( MAX ( MAOMV * QV( C,R,L ), 0.0 ), 8)\n SEAWATER (NCELL) = MAX ( 0.0D0, ( REAL( SEAWATER_ZONE( C,R ) - SEAICE (C,R) ,8) ) )\n\nc..Get rate constants\n LSUNLIGHT = .FALSE.\n FORALL( NPH = 1:NPHOTAB ) RJIN( NCELL,NPH ) = REAL( RJ( C,R,L,NPH ), 8)\n IF( MAXVAL(RJIN) .GT. 0.0D0 ) LSUNLIGHT = .TRUE.\n\n FORALL ( NPH = 1:NHETERO )HET( NCELL,NPH ) = REAL( KHETERO( NPH,C,R,L ), 8)\n\n CALL CALC_RCONST( TEMP, ATMPRES, H2O, RJIN, HET, LSUNLIGHT, SEAWATER, RKI_SAV, NCELL )\n FORALL( NPH = 1:NRXNS )RKI( NPH ) = RKI_SAV( NCELL, NPH )\n\n#ifdef isam\n#if defined(isam) || defined(verbose_isam)\nC...For diagnosing IRR calculations in log files\n IF( CHECK_ISAM )THEN\n WRITE_CELL = .FALSE.\n IF( C .EQ. MAX(1, NCOLS/2) .AND. R .EQ. MAX(1,NROWS/2) .AND. L .EQ. 1 )THEN\n WRITE_CELL = .TRUE.\n WRITE(LOGDEV,*)'WRITE_CELL = .TRUE.'\n ELSE\n WRITE_CELL = .FALSE.\n END IF\n END IF\n#endif\n CALL SA_IRR_EXTRACT( C, R, L, DENS( C,R,L ),YC )\n#endif\n\nc..Call EBI solver\n N_EBI_IT = 0\n\n CALL HRSOLVER( JDATE, JTIME, C, R, L )\n\n#ifdef hrstats\n MXEBI = MAX( MXEBI, N_EBI_IT )\n MNEBI = MIN( MNEBI, N_EBI_IT )\n SUMEBI = SUMEBI + REAL( N_EBI_IT )\n#endif\n\n\nc..Update concentration array\n DO SPC = 1, NUMB_MECH_SPC\n S = CGRID_INDEX( SPC )\n IF( CONVERT_CONC( SPC ) )THEN\n CGRID( C,R,L,S ) = REAL( REVERSE_CONV( SPC ) * DENS( C,R,L )\n & * MAX( YC( SPC ), DCONMIN), 4)\n ELSE\n CGRID( C,R,L,S ) = REAL( MAX( YC( SPC ), DCONMIN), 4)\n END IF\n END DO\n\n IF(CALL_DEG)THEN ! WTH: update based on degrade routines\n CALL FINAL_DEGRADE(YCCELL)\n UPDATE_DEGRADED: DO SPC = 1, N_REACT\n ISP = RXTANT_MAP( SPC )\n IF( ISP .LE. 0 )CYCLE UPDATE_DEGRADED\n DO S = 1, NUMB_MECH_SPC\n IF( CGRID_INDEX( S ) .EQ. ISP )CYCLE UPDATE_DEGRADED\n END DO\n CGRID(C,R,L,ISP) = REAL( YCCELL(ISP), 4)\n END DO UPDATE_DEGRADED\n#ifdef isam\n CALL SA_DEGRADE_UPLOAD( C,R,L,DENS(C,R,L) )\n#endif\n END IF\n\n#ifdef isam\n CALL SA_IRR_UPLOAD( C, R, L, DENS( C,R,L ), YC )\n#endif\n\nc..update irrout arrays if needed\n IF ( LFLAGIRR( C,R,L ) )CALL PA_IRR_CELLENDF( C, R, L )\n#ifdef sens\n DO RXN = 1, NRXNS\n SRK( RXN ) = RKI( RXN )\n IF ( HIGH ) THEN\n IF ( ORDER1 (RXN ) ) THEN\n SRK2( RXN ) = 0.0\n ELSE\n SRK2( RXN ) = RKI( RXN )\n END IF\n END IF\n END DO\n\n\n CALL SOLVE_DDM3D_CHEM( C,R,L,CHEMSTEP )\n#endif\n\n END DO\n END DO\n END DO\n\n! Update Aerosol Surface Area\n CALL HETCHEM_UPDATE_AERO( CGRID )\n\n#ifdef hrstats\n AVGEBI = SUMEBI / REAL( NCOLS * NROWS * NLAYS )\n WRITE( ISTFL, 94040 ) JDATE, JTIME, MNEBI, AVGEBI, MXEBI\n#endif\n\n RETURN\n\nC*********************** FORMAT STATEMENTS ****************************\n\n92000 FORMAT( / 10X, 'Euler Backward Iterative Parameters -'\n & / 10X, 'Chemistry Integration Time Interval (min):', F12.4,\n & / 10X, 'EBI maximum time step (min): ', F12.4 )\n\n92020 FORMAT( //10X, 'Species convergence tolerances:' )\n\n92040 FORMAT( 10X, A16, 2X, 1PE12.2 )\n\n92060 FORMAT( / 10X, 'Emissions Processing in Chemistry ...'\n & / 10X, 'Number of Emissions Layers: ', I3\n & / 10X, 'out of total Number of Model Layers:', I3 )\n\n\n94020 FORMAT( 'DATE TIME ', 'MNEBI AVEBI MXEBI' )\n\n94040 FORMAT( I7, 1X, I6, 1X, 3( I5, 1X ) )\n END\n" }, { "path": "CCTM/src/gas/ebi_cb6r5_ae7_aq/hrg1.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\n SUBROUTINE HRG1( DTC )\n\nC**********************************************************************\nC\nC FUNCTION: To solve for the concentration of NO2, NO, O3, and O3P\nC algebraically.\nC\nC PRECONDITIONS: For the CB6R5_AE7_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 8, 2022\nC\nC 18 Jul 14 B.Hutzell: revised to use real(8) variables\nC 01 Jun 18 B.Hutzell: replaced steady solution for O1D with backward Euler\nC approximation. To match conditions where the initial\nC concentration cannot be neglected.\nC**********************************************************************\n USE HRDATA\n\n IMPLICIT NONE\n\n\nC..INCLUDES: None\n\n\nC..ARGUMENTS:\n REAL( 8 ), INTENT( IN ) :: DTC ! Time step\n\n\nC..PARAMETERS: None\n\n\nC..EXTERNAL FUNCTIONS: NONE\n\n\nC..SAVED LOCAL VARIABLES:\n! CHARACTER( 16 ), SAVE :: PNAME = 'HRG1' ! Prgram Name\n\n\nC..SCRATCH LOCAL VARIABLES:\n REAL( 8 ) :: O1D_S ! sum of O1D loss frequencies\n REAL( 8 ) :: O3P_S ! stoich coeff for O3P from O1D\n\n\n\n REAL( 8 ) :: R1_2 ! production term for NO from NO2\n REAL( 8 ) :: R2_1 ! production term for NO2 from NO\n REAL( 8 ) :: P1, P2, P3, P12 ! production terms for NO, NO2, O3, & O3P\n REAL( 8 ) :: L1, L2, L3, L12 ! loss terms for NO, NO2, O3, O3P\n REAL( 8 ) :: L1_INV, L2_INV,\n & L3_INV, L12_INV ! inverse of loss terms\n\n REAL( 8 ) :: T1, T2, T3, T4, T5 ! intermerdiate terms\n REAL( 8 ) :: F1, F2, F3 ! intermerdiate terms\n REAL( 8 ) :: A, B, C ! coefficients for quadratic equation\n REAL( 8 ) :: Q, XX, S1, S2 ! intermerdiate terms\n\n REAL( 8 ) :: RK1, RK2, RK3 ! rate constants\n\n REAL( 8 ) :: PO3 ! temp variable for O3\n\nC**********************************************************************\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc O1D Section\nc 1) sum of the rate constants for all O1D loss reactions\nc 2) get fractional yield of O3P from O1D loss\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n O1D_S = RKI( 10 ) ! O1D=O\n & + RKI( 11 ) ! O1D=0.2000D+01*OH\n\n O3P_S = RKI( 10 ) ! O1D=O\n\n O3P_S = O3P_S / O1D_S\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc NO Section\nc R1_2 = production of NO from NO2 ( rates of form k[NO2][x] )\nc except NO2+NO3=NO+NO2 (it is treated as if it were NO3=NO )\nc P1 = remaining NO production terms\nc L1 = loss of NO (except rxns producing NO2 - they are in R2_1)\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n R1_2 = RKI( 1 ) ! NO2=NO+O\n & + RKI( 5 ) * YC ( O ) ! NO2+O=NO\n R1_2 = R1_2 * DTC\n\n\n P1 = RXRAT( 28 ) ! NO3=NO\n & + RXRAT( 30 ) ! NO2+NO3=NO+NO2\n & + RXRAT( 42 ) ! HONO+HONO=NO+NO2\n & + RXRAT( 43 ) ! HONO=NO+OH\n P1 = YC0( NO ) + P1 * DTC\n\n\n L1 = RKI( 40 ) * YC ( OH ) ! NO+OH=HONO\n & + RKI( 41 ) * YC ( NO2 ) ! NO+NO2=0.2000D+...\n & + RKI( 83 ) * YC ( XO2N ) ! NO+XO2N=0.5000D+...\n & + 1.0000D-01 * RKI( 151 ) * YC ( ISO2 ) ! NO+ISO2=0.1000D+...\n & + 8.2000D-02 * RKI( 180 ) * YC ( BZO2 ) ! NO+BZO2=0.9180D+...\n & + 1.4000D-01 * RKI( 185 ) * YC ( TO2 ) ! NO+TO2=0.8600D+...\n & + 1.4000D-01 * RKI( 191 ) * YC ( XLO2 ) ! NO+XLO2=0.8600D+...\n L1 = 1.0D0 + L1 * DTC\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc NO2 Section\nc R2_1 = production of NO2 from NO ( rates of form k[NO][x] )\nc a) NO+O3=NO2 not included\nc b) NO+NO3=2NO2 ( 1/2 of NO2 formation rate included )\nc c) NO3+NO2=NO+NO2 is not included for NO2\nc P2 = remaining NO2 production terms \nc a) NO+O3=NO2 not included\nc b) NO+NO3=2NO2 (1/2 of NO2 formation rate included )\nc L2 = loss of NO2 (except rxns producing NO2 - they are in R1_2)\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n R2_1 = RKI( 4 ) * YC ( O ) ! NO+O=NO2\n & + 2.0000D+00 * RKI( 24 ) * YC ( NO ) ! NO+NO=0.2000D+01*NO2\n & + RKI( 25 ) * YC ( HO2 ) ! NO+HO2=NO2+OH\n & + RKI( 29 ) * YC ( NO3 ) ! NO+NO3=0.2000D+...\n & + RKI( 53 ) * YC ( C2O3 ) ! NO+C2O3=NO2+MEO2+RO2\n & + RKI( 61 ) * YC ( CXO3 ) ! NO+CXO3=NO2+ALD2+...\n & + RKI( 71 ) * YC ( MEO2 ) ! NO+MEO2=NO2+HO2+FORM\n & + RKI( 75 ) * YC ( XO2H ) ! NO+XO2H=NO2+HO2\n & + RKI( 79 ) * YC ( XO2 ) ! NO+XO2=NO2\n & + RKI( 103 ) * YC ( HCO3 ) ! NO+HCO3=NO2+FACD+HO2\n & + 9.0000D-01 * RKI( 151 ) * YC ( ISO2 ) ! NO+ISO2=0.9000D+...\n & + RKI( 167 ) * YC ( EPX2 ) ! NO+EPX2=NO2+...\n & + 9.1800D-01 * RKI( 180 ) * YC ( BZO2 ) ! NO+BZO2=0.9180D+...\n & + 8.6000D-01 * RKI( 185 ) * YC ( TO2 ) ! NO+TO2=0.8600D+...\n & + 8.6000D-01 * RKI( 191 ) * YC ( XLO2 ) ! NO+XLO2=0.8600D+...\n & + RKI( 212 ) * YC ( OPO3 ) ! NO+OPO3=NO2+...\n & + RKI( 230 ) * YC ( CLO ) ! NO+CLO=NO2+CL\n R2_1 = R2_1 * DTC\n\n\n P2 = RXRAT( 27 ) ! NO3=NO2+O\n & + RXRAT( 29 ) ! NO+NO3=0.2000D+01*NO2\n & + RXRAT( 31 ) ! NO3+O=NO2\n & + RXRAT( 32 ) ! NO3+OH=NO2+HO2\n & + RXRAT( 33 ) ! NO3+HO2=NO2+OH\n & + RXRAT( 34 ) ! NO3+O3=NO2\n & + 2.0000D+00 * RXRAT( 35 ) ! NO3+NO3=0.2000D+01*NO2\n & + RXRAT( 37 ) ! N2O5=NO2+NO3\n & + RXRAT( 38 ) ! N2O5=NO2+NO3\n & + RXRAT( 42 ) ! HONO+HONO=NO2+NO\n & + RXRAT( 44 ) ! HONO+OH=NO2\n & + RXRAT( 47 ) ! HNO3=NO2+OH\n & + RXRAT( 49 ) ! PNA=NO2+HO2\n & + 5.9000D-01 * RXRAT( 50 ) ! PNA=0.5900D+00*NO2+...\n & + RXRAT( 51 ) ! PNA+OH=NO2\n & + RXRAT( 55 ) ! PAN=NO2+C2O3\n & + 6.0000D-01 * RXRAT( 56 ) ! PAN=0.6000D+00*NO2+...\n & + RXRAT( 63 ) ! PANX=NO2+CXO3\n & + 6.0000D-01 * RXRAT( 64 ) ! PANX=0.6000D+00*NO2+...\n & + RXRAT( 92 ) ! NTR1=NO2\n & + 5.0000D-01 * RXRAT( 140 ) ! ETH+NO3=0.5000D+...\n & + 5.0000D-01 * RXRAT( 144 ) ! OLE+NO3=0.5000D+...\n & + 5.0000D-01 * RXRAT( 148 ) ! IOLE+NO3=0.5000D+...\n & + 3.5000D-01 * RXRAT( 157 ) ! ISOP+NO3=0.3500D+...\n & + 1.4200D-01 * RXRAT( 160 ) ! ISPD+NO3=0.1420D+...\n & + 4.4400D-01 * RXRAT( 170 ) ! INTR+OH=0.4440D+...\n & + 4.7000D-01 * RXRAT( 174 ) ! TERP+NO3=0.4700D+...\n & + 4.7000D-01 * RXRAT( 178 ) ! APIN+NO3=0.4700D+...\n & + 5.0000D-01 * RXRAT( 205 ) ! XOPN+NO3=0.5000D+...\n & + RXRAT( 214 ) ! OPAN=NO2+OPO3\n & + 5.0000D-01 * RXRAT( 218 ) ! OPAN+OH=0.5000D+...\n & + RXRAT( 219 ) ! PANX+OH=NO2+ALD2\n & + RXRAT( 252 ) ! CLNO2=NO2+CL\n & + RXRAT( 254 ) ! CLNO3=NO2+CLO\n P2 = YC0( NO2 ) + P2 * DTC\n\n\n L2 = RKI( 6 ) * YC ( O ) ! NO2+O=NO3\n & + RKI( 26 ) * YC ( O3 ) ! NO2+O3=NO3\n & + RKI( 36 ) * YC ( NO3 ) ! NO2+NO3=N2O5\n & + RKI( 41 ) * YC ( NO ) ! NO2+NO=0.2000D+...\n & + RKI( 45 ) * YC ( OH ) ! NO2+OH=HNO3\n & + RKI( 48 ) * YC ( HO2 ) ! NO2+HO2=PNA\n & + RKI( 54 ) * YC ( C2O3 ) ! NO2+C2O3=PAN\n & + RKI( 62 ) * YC ( CXO3 ) ! NO2+CXO3=PANX\n & + RKI( 135 ) * YC ( ROR ) ! NO2+ROR=NTR1\n & + RKI( 197 ) * YC ( CRO ) ! NO2+CRO=CRON\n & + RKI( 213 ) * YC ( OPO3 ) ! NO2+OPO3=OPAN\n & + RKI( 225 ) * YC ( OH ) ! NO2+OH=HNO3\n & + RKI( 253 ) * YC ( CLO ) ! NO2+CLO=CLNO3\n & + RKI( 278 ) ! NO2=0.5000D+...\n L2 = 1.0D0 + L2 * DTC\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc O3 Section\nc P3 = production of O3 except O+O2=O3\nc L3 = loss terms for O3 except NO+O3=NO2\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n P3 = 1.3000D-01 * RXRAT( 57 ) ! C2O3+HO2=0.1300D+...\n & + 1.3000D-01 * RXRAT( 65 ) ! CXO3+HO2=0.1300D+...\n & + 1.3000D-01 * RXRAT( 215 ) ! OPO3+HO2=0.1300D+...\n P3 = YC0( O3 ) + P3 * DTC\n\n\n L3 = RKI( 7 ) * YC ( O ) ! O3+O=\n & + RKI( 8 ) ! O3=O\n & + RKI( 9 ) ! O3=O1D\n & + RKI( 12 ) * YC ( OH ) ! O3+OH=HO2\n & + RKI( 13 ) * YC ( HO2 ) ! O3+HO2=OH\n & + RKI( 26 ) * YC ( NO2 ) ! O3+NO2=NO3\n & + RKI( 34 ) * YC ( NO3 ) ! O3+NO3=NO2\n & + RKI( 139 ) * YC ( ETH ) ! O3+ETH=FORM+...\n & + RKI( 143 ) * YC ( OLE ) ! O3+OLE=0.2950D+...\n & + RKI( 147 ) * YC ( IOLE ) ! O3+IOLE=0.7320D+...\n & + RKI( 156 ) * YC ( ISOP ) ! O3+ISOP=0.6000D+...\n & + RKI( 159 ) * YC ( ISPD ) ! O3+ISPD=0.4000D-...\n & + RKI( 173 ) * YC ( TERP ) ! O3+TERP=0.5700D+...\n & + RKI( 177 ) * YC ( APIN ) ! O3+APIN=0.5700D+...\n & + RKI( 204 ) * YC ( XOPN ) ! O3+XOPN=0.1200D+...\n & + RKI( 208 ) * YC ( OPEN ) ! O3+OPEN=0.1400D+...\n & + RKI( 228 ) * YC ( CL ) ! O3+CL=CLO\n & + RKI( 279 ) ! O3=\n L3 = 1.0D0 + L3 * DTC\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc O3P Section \nc P12 = production of O3P except NO2+hv=O3P (J1)\nc L12 = loss terms\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n P12 = RXRAT( 8 ) ! O3=O\n & + O3P_S * RXRAT( 9 ) ! O3=O1D\n & + RXRAT( 16 ) ! OH+OH=O\n & + RXRAT( 27 ) ! NO3=O+NO2\n P12 = YC0( O ) + P12 * DTC\n\n\n L12 = RKI( 2 ) ! O=O3\n & + RKI( 4 ) * YC ( NO ) ! O+NO=NO2\n & + RKI( 5 ) * YC ( NO2 ) ! O+NO2=NO\n & + RKI( 6 ) * YC ( NO2 ) ! O+NO2=NO3\n & + RKI( 7 ) * YC ( O3 ) ! O+O3=\n & + RKI( 14 ) * YC ( OH ) ! O+OH=HO2\n & + RKI( 15 ) * YC ( HO2 ) ! O+HO2=OH\n & + RKI( 23 ) * YC ( H2O2 ) ! O+H2O2=OH+HO2\n & + RKI( 31 ) * YC ( NO3 ) ! O+NO3=NO2\n & + RKI( 99 ) * YC ( FORM ) ! O+FORM=OH+HO2+CO\n & + RKI( 105 ) * YC ( ALD2 ) ! O+ALD2=C2O3+OH\n & + RKI( 109 ) * YC ( ALDX ) ! O+ALDX=CXO3+OH\n & + RKI( 137 ) * YC ( ETH ) ! O+ETH=FORM+HO2+CO+...\n & + RKI( 141 ) * YC ( OLE ) ! O+OLE=0.2000D+00*ALD2+...\n & + RKI( 145 ) * YC ( IOLE ) ! O+IOLE=0.1240D+...\n & + RKI( 150 ) * YC ( ISOP ) ! O+ISOP=0.7500D+...\n & + RKI( 171 ) * YC ( TERP ) ! O+TERP=0.1500D+...\n & + RKI( 175 ) * YC ( APIN ) ! O+APIN=0.1500D+...\n L12 = 1.0D0 + L12 * DTC\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Solution section\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\nc..compute reciprocal of loss terms\n L1_INV = 1.0D0 / L1\n L2_INV = 1.0D0 / L2\n L3_INV = 1.0D0 / L3\n L12_INV = 1.0D0 / L12\n\nc..compute specific k*delta t terms\n RK1 = RKI( 1 ) * DTC ! J1 (NO2+hv=NO+O3P)\n RK2 = RKI( 2 ) * DTC ! J2 (O3P+O2=O3)\n RK3 = RKI( 3 ) * DTC ! k1_3 (NO+O3=NO2)\n\nc..compute terms that are used to calulate a,b & c\n T1 = RK1 * L2_INV ! J1 / ( 1.0 + Lno2 * dt )\n T2 = R1_2 * L2_INV ! r1,2 / ( 1.0 + Lno2 * dt)\n T3 = R2_1 * L1_INV ! r2,1 / ( 1.0 + Lno * dt)\n T4 = RK2 * L12_INV ! J2 / ( 1.0 + Lo3p * dt )\n T5 = T3 * P1 - T2 * P2 ! T3 * Pno - T2 * Pno2\n\n F1 = 1.0D0 + T2 + T3 ! factor in calculating a & b\n F2 = T1 * T4 ! factor in calculating a & b\n F3 = L3 * L1 + RK3 * P1 ! (1 + Lo3 * dt) (1 + lno * dt )\n ! + k1,3 * dt * Pno\n\n PO3 = P3 + P12 * T4\n\n A = RK3 * ( F1 - F2 )\n\n B = F1 * F3 + RK3 * ( F2 * ( P2 - P1 ) + PO3 + T5 )\n\n C = RK3 * P1 * ( PO3 + P2 * F2 ) + F3 * T5\n\n Q = -0.5D0 * ( B + SIGN( 1.0D0, B ) * SQRT( B * B - 4.0D0 * A * C ) )\n\n XX = MAX( Q / A , C / Q )\n\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Species solutions\nc [NO] = ( P1 + x ) / ( 1 + L1 )\nc [NO2] = ( P2 - x ) / ( 1 + L2 )\nc [O3 ] = ( P3 + Ko3p->O3 ) / (1 + K1,3 * [NO] + L3 )\nc [O3P] = ( P12 + J1 * [NO2] ) / ( 1 + L12 )\nc [O1D] = ( yc0(o1d) + Ko3->o1d * [O3] *dtc) / ( 1 + O1D_S*dtc )\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n YCP( NO ) = MAX( 0.0D0, ( P1 + XX ) * L1_INV )\n\n YCP( NO2 ) = MAX( 0.0D0, ( P2 - XX ) * L2_INV )\n\n S1 = P12 + RK1 * YCP( NO2 )\n\n S2 = T4 * S1\n\n YCP( O3 ) = ( P3 + S2 ) / ( L3 + RK3 * YCP( NO ) )\n\n YCP( O ) = S1 * L12_INV\n\n YCP( O1D ) = ( YC0( O1D ) + RKI( 9 ) * YCP( O3 ) * DTC ) \n & / ( 1.0D0 + O1D_S * DTC )\n\n RETURN\n\n END\n\n\n" }, { "path": "CCTM/src/gas/ebi_cb6r5_ae7_aq/hrg2.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\n SUBROUTINE HRG2( DTC )\nC**********************************************************************\nC\nC FUNCTION: To solve for the concentration of HO, HO2, HONO, and\nC HNO4 alebraically.\nC\nC PRECONDITIONS: For the CB6R5_AE7_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 8, 2022\nC\nC 18 Jul 14 B.Hutzell: revised to use real(8) variables\nC**********************************************************************\n USE HRDATA\n\n IMPLICIT NONE\n\n\nC..INCLUDES: None\n\n\nC..ARGUMENTS:\n REAL( 8 ), INTENT( IN ) :: DTC ! Time step\n\nC..PARAMETERS: None\n\n\nC..EXTERNAL FUNCTIONS: NONE\n\n\nC..SAVED LOCAL VARIABLES:\n! CHARACTER( 16 ), SAVE :: PNAME = 'HRG2' ! Program name\n\n\nC..SCRATCH LOCAL VARIABLES:\n REAL( 8 ) :: O1D_S ! sum of O1D loss frequencies\n REAL( 8 ) :: OH_S ! stoich coeff for OH from O1D+H2O or H2\n REAL( 8 ) :: HO2_S ! stoich coeff for HO2 from O1D+H2 rxn\n REAL( 8 ) :: XOH_S ! stoich coeff for OH & HONO from NO2EX loss rxn\n REAL( 8 ) :: R4_19 ! production of OH from HONO\n REAL( 8 ) :: R19_4 ! production of HONO from OH\n REAL( 8 ) :: R4_5 ! production of OH from HO2\n REAL( 8 ) :: R5_4 ! production of HO2 from OH\n REAL( 8 ) :: R5_21 ! production of HO2 from HNO4\n REAL( 8 ) :: R21_5 ! production of HNO4 from HO2\n REAL( 8 ) :: P4, P5, P19, P21 ! species production form other paths\n REAL( 8 ) :: L4, L5, L19, L21 ! species loss terms\n\n REAL( 8 ) :: A, B, C ! coeffs of quadratic eq. for HO2\n REAL( 8 ) :: Q ! intermediate term\n\n REAL( 8 ) :: T1, T2, T3 ! intermediate terms\n\n REAL( 8 ) :: L21_INV ! reciprocal of HNO4 loss term\n\nC**********************************************************************\n\n\nc..stoichiometric coefficient for production of HOX from O3 via O1D\n O1D_S = RKI( 10 ) ! O1D=O\n & + RKI( 11 ) ! O1D=0.2000D+01*OH\n\n OH_S = 2.0000D+00 * RKI( 11 ) ! O1D=0.2000D+01*OH\n\n OH_S = OH_S / O1D_S\n\n\nc..Production of HO from HO2 (r4,5 terms )\n R4_5 = RKI( 13 ) * YC ( O3 ) ! HO2+O3=OH\n & + RKI( 15 ) * YC ( O ) ! HO2+O=OH\n & + RKI( 25 ) * YC ( NO ) ! HO2+NO=OH+NO2\n & + RKI( 33 ) * YC ( NO3 ) ! HO2+NO3=OH+NO2\n & + 5.0000D-01 * RKI( 57 ) * YC ( C2O3 ) ! HO2+C2O3=0.5000D+...\n & + 5.0000D-01 * RKI( 65 ) * YC ( CXO3 ) ! HO2+CXO3=0.5000D+...\n & + 2.0000D-01 * RKI( 104 ) * YC ( HCO3 ) ! HO2+HCO3=0.2000D+...\n & + 1.2000D-01 * RKI( 152 ) * YC ( ISO2 ) ! HO2+ISO2=0.1200D+...\n & + 1.7500D-01 * RKI( 166 ) * YC ( EPX2 ) ! HO2+EPX2=0.1125D+...\n & + 5.0000D-01 * RKI( 215 ) * YC ( OPO3 ) ! HO2+OPO3=0.5000D+...\n\n R4_5 = R4_5 * DTC\n\nc..Production of HO from HONO (r4,19 terms )\n R4_19 = RKI( 43 ) ! HONO=OH+NO\n\n R4_19 = R4_19 * DTC\n\nc..Remaining HO production\n P4 = OH_S * RXRAT( 9 ) ! O1D=0.2000D+01*OH\n & + 2.0000D+00 * RXRAT( 21 ) ! H2O2=0.2000D+01*OH\n & + RXRAT( 23 ) ! H2O2+O=OH+HO2\n & + RXRAT( 47 ) ! HNO3=OH+NO2\n & + 4.1000D-01 * RXRAT( 50 ) ! PNA=0.4100D+00*OH+0.5900D+...\n & + RXRAT( 88 ) ! MEPX=OH+RO2+MEO2\n & + RXRAT( 90 ) ! ROOH=OH+HO2\n & + RXRAT( 99 ) ! FORM+O=OH+HO2+CO\n & + RXRAT( 105 ) ! ALD2+O=OH+C2O3\n & + RXRAT( 109 ) ! ALDX+O=OH+CXO3\n & + 1.9000D-01 * RXRAT( 114 ) ! GLYD=0.1900D+00*OH+0.1400D+...\n & + 3.0000D-01 * RXRAT( 137 ) ! ETH+O=0.3000D+00*OH+HO2+CO+...\n & + 1.7000D-01 * RXRAT( 139 ) ! ETH+O3=0.1700D+00*OH+...\n & + 1.0000D-01 * RXRAT( 141 ) ! OLE+O=0.1000D+00*OH+...\n & + 3.3400D-01 * RXRAT( 143 ) ! OLE+O3=0.3340D+00*OH+...\n & + 5.0000D-01 * RXRAT( 147 ) ! IOLE+O3=0.5000D+00*OH+...\n & + 2.6600D-01 * RXRAT( 156 ) ! ISOP+O3=0.2660D+00*OH+...\n & + 4.6100D-01 * RXRAT( 159 ) ! ISPD+O3=0.4610D+00*OH+...\n & + RXRAT( 163 ) ! HPLD=OH+ISPD\n & + 9.5000D-01 * RXRAT( 166 ) ! HO2+EPX2=0.1125D+01*OH+...\n & + 1.2500D-01 * RXRAT( 167 ) ! EPX2+NO=0.1250D+00*OH+...\n & + 1.0000D-01 * RXRAT( 168 ) ! EPX2+C2O3=0.1000D+00*OH+...\n & + 1.2500D-01 * RXRAT( 169 ) ! EPX2+RO2=0.1250D+00*OH+...\n & + 5.7000D-01 * RXRAT( 173 ) ! TERP+O3=0.5700D+00*OH+...\n & + 5.7000D-01 * RXRAT( 177 ) ! APIN+O3=0.5700D+00*OH+...\n & + 5.0000D-01 * RXRAT( 204 ) ! XOPN+O3=0.5000D+00*OH+...\n & + 5.0000D-01 * RXRAT( 208 ) ! OPEN+O3=0.5000D+00*OH+...\n & + RXRAT( 227 ) ! HOCL=OH+CL\n & + 1.0000D-01 * RXRAT( 249 ) ! CL+TOL=0.1000D+00*OH+...\n & + 2.4400D-01 * RXRAT( 250 ) ! CL+XYLMN=0.2440D+00*OH+...\n & + 2.4400D-01 * RXRAT( 251 ) ! CL+NAPH=0.2440D+00*OH+...\n\n P4 = YC0( OH ) + P4 * DTC\n\nc..Production of HO2 from OH ( r5,4 terms )\n R5_4 = RKI( 12 ) * YC ( O3 ) ! OH+O3=HO2\n & + RKI( 14 ) * YC ( O ) ! OH+O=HO2\n & + RKI( 22 ) * YC ( H2O2 ) ! OH+H2O2=HO2\n & + RKI( 32 ) * YC ( NO3 ) ! OH+NO3=HO2+NO2\n & + RKI( 52 ) * YC ( SO2 ) ! OH+SO2=HO2+SULF+...\n & + RKI( 93 ) * YC ( FACD ) ! OH+FACD=HO2\n & + RKI( 96 ) * YC ( FORM ) ! OH+FORM=HO2+CO\n & + 2.0000D-01 * RKI( 113 ) * YC ( GLYD ) ! OH+GLYD=0.2000D+...\n & + RKI( 116 ) * YC ( GLY ) ! OH+GLY=HO2+...\n & + RKI( 122 ) ! OH=HO2\n & + RKI( 123 ) * YC ( CO ) ! OH+CO=HO2\n & + RKI( 126 ) * YC ( MEOH ) ! OH+MEOH=HO2+FORM\n & + 9.0000D-01 * RKI( 127 ) * YC ( ETOH ) ! OH+ETOH=0.9000D+...\n & + 3.0000D-01 * RKI( 136 ) * YC ( ETHY ) ! OH+ETHY=0.3000D+...\n & + 1.3700D-01 * RKI( 158 ) * YC ( ISPD ) ! OH+ISPD=0.1370D+...\n & + 5.3000D-01 * RKI( 179 ) * YC ( BENZENE ) ! OH+BENZENE=...\n & + 1.8000D-01 * RKI( 184 ) * YC ( TOL ) ! OH+TOL=0.1800D+...\n & + 1.5500D-01 * RKI( 189 ) * YC ( XYLMN ) ! OH+XYLMN=0.1550D+...\n & + 1.5500D-01 * RKI( 190 ) * YC ( NAPH ) ! OH+NAPH=0.1550D+...\n & + RKI( 195 ) * YC ( CRES ) ! OH+CRES=HO2+...\n & + 2.0000D-01 * RKI( 210 ) * YC ( CAT1 ) ! OH+CAT1=0.2000D+...\n\n R5_4 = R5_4 * DTC\n\nc..Production of HO2 from HNO4 (r5,21 term )\n R5_21 = RKI( 49 ) ! PNA=HO2+NO2\n & + 5.9000D-01 * RKI( 50 ) ! PNA=0.5900D+...\n\n R5_21 = R5_21 * DTC\n\nc..Remaining HO2 production terms\n P5 = RXRAT( 23 ) ! H2O2+O=HO2+OH\n & + RXRAT( 71 ) ! MEO2+NO=HO2+FORM+NO2\n & + 9.0000D-01 * RXRAT( 73 ) ! MEO2+C2O3=0.9000D+00*HO2+...\n & + 3.7000D-01 * RXRAT( 74 ) ! MEO2+RO2=0.3700D+00*HO2+...\n & + RXRAT( 75 ) ! XO2H+NO=HO2+NO2\n & + 8.0000D-01 * RXRAT( 77 ) ! XO2H+C2O3=0.8000D+00*HO2+...\n & + 6.0000D-01 * RXRAT( 78 ) ! XO2H+RO2=0.6000D+00*HO2+RO2\n & + 8.0000D-01 * RXRAT( 85 ) ! XO2N+C2O3=0.8000D+00*HO2+...\n & + RXRAT( 90 ) ! ROOH=HO2+OH\n & + 2.0000D+00 * RXRAT( 97 ) ! FORM=0.2000D+01*HO2+CO\n & + RXRAT( 99 ) ! FORM+O=HO2+OH+CO\n & + RXRAT( 100 ) ! FORM+NO3=HO2+HNO3+CO\n & + RXRAT( 102 ) ! HCO3=HO2+FORM\n & + RXRAT( 103 ) ! HCO3+NO=HO2+NO2+FACD\n & + RXRAT( 108 ) ! ALD2=HO2+RO2+CO+MEO2\n & + RXRAT( 112 ) ! ALDX=HO2+XO2H+RO2+CO+ALD2\n & + 1.4000D+00 * RXRAT( 114 ) ! GLYD=0.1400D+01*HO2+...\n & + 2.0000D+00 * RXRAT( 117 ) ! GLY=0.2000D+01*HO2+0.2000D+...\n & + RXRAT( 118 ) ! GLY+NO3=HO2+0.1500D+01*CO+...\n & + RXRAT( 119 ) ! MGLY=HO2+C2O3+CO\n & + RXRAT( 134 ) ! ROR=HO2+KET\n & + RXRAT( 137 ) ! ETH+O=HO2+0.3000D+00*OH+CO+...\n & + 2.7000D-01 * RXRAT( 139 ) ! ETH+O3=0.2700D+00*HO2+...\n & + 1.0000D-01 * RXRAT( 141 ) ! OLE+O=0.1000D+00*HO2+...\n & + 8.0000D-02 * RXRAT( 143 ) ! OLE+O3=0.8000D-01*HO2+...\n & + 2.5000D-01 * RXRAT( 150 ) ! ISOP+O=0.2500D+00*HO2+...\n & + 8.1800D-01 * RXRAT( 151 ) ! ISO2+NO=0.8180D+00*HO2+...\n & + 7.2800D-01 * RXRAT( 153 ) ! ISO2+C2O3=0.7280D+00*HO2+...\n & + 7.2800D-01 * RXRAT( 154 ) ! ISO2+RO2=0.7280D+00*HO2+...\n & + RXRAT( 155 ) ! ISO2=HO2+HPLD\n & + 6.6000D-02 * RXRAT( 156 ) ! ISOP+O3=0.6600D-01*HO2+...\n & + 3.9800D-01 * RXRAT( 159 ) ! ISPD+O3=0.3980D+00*HO2+...\n & + 7.6000D-01 * RXRAT( 161 ) ! ISPD=0.7600D+00*HO2+...\n & + 8.2500D-01 * RXRAT( 167 ) ! EPX2+NO=0.8250D+00*HO2+...\n & + 6.6000D-01 * RXRAT( 168 ) ! EPX2+C2O3=0.6600D+00*HO2+...\n & + 8.2500D-01 * RXRAT( 169 ) ! EPX2+RO2=0.8250D+00*HO2+...\n & + 9.1800D-01 * RXRAT( 180 ) ! BZO2+NO=0.9180D+00*HO2+...\n & + RXRAT( 181 ) ! BZO2+C2O3=HO2+OPEN+GLY+...\n & + RXRAT( 183 ) ! BZO2+RO2=HO2+OPEN+GLY+RO2\n & + 8.6000D-01 * RXRAT( 185 ) ! TO2+NO=0.8600D+00*HO2+...\n & + RXRAT( 186 ) ! TO2+C2O3=HO2+0.5200D+...\n & + RXRAT( 188 ) ! TO2+RO2=HO2+0.5200D+...\n & + 8.6000D-01 * RXRAT( 191 ) ! XLO2+NO=0.8600D+00*HO2+...\n & + RXRAT( 193 ) ! XLO2+C2O3=HO2+0.7700D+...\n & + RXRAT( 194 ) ! XLO2+RO2=HO2+0.7700D+...\n & + RXRAT( 201 ) ! CRON=HO2+HONO+FORM+OPEN\n & + 7.0000D-01 * RXRAT( 202 ) ! XOPN=0.7000D+00*HO2+XO2H+...\n & + RXRAT( 206 ) ! OPEN=HO2+OPO3+CO\n & + 5.6000D-01 * RXRAT( 208 ) ! OPEN+O3=0.5600D+00*HO2+...\n & + 8.0000D-01 * RXRAT( 212 ) ! OPO3+NO=0.8000D+00*HO2+...\n & + RXRAT( 232 ) ! CLO+MEO2=HO2+FORM+CL\n & + RXRAT( 234 ) ! FMCL=HO2+CO+CL\n & + RXRAT( 239 ) ! CL+ETH=HO2+0.2000D+01*XO2+...\n & + RXRAT( 240 ) ! CL+OLE=HO2+0.3300D+00*ALD2+...\n & + RXRAT( 241 ) ! CL+IOLE=HO2+0.7000D+...\n & + RXRAT( 243 ) ! CL+FORM=HO2+HCL+CO\n & + RXRAT( 246 ) ! CL+MEOH=HO2+HCL+FORM\n & + RXRAT( 247 ) ! CL+ETOH=HO2+HCL+ALD2\n & + 1.8000D-01 * RXRAT( 249 ) ! CL+TOL=0.1800D+00*HO2+...\n & + 1.5500D-01 * RXRAT( 250 ) ! CL+XYLMN=0.1550D+00*HO2+...\n & + 1.5500D-01 * RXRAT( 251 ) ! CL+NAPH=0.1550D+00*HO2+...\n\n P5 = YC0( HO2 ) + P5 * DTC\n\nc..Production of HONO from OH (r19,4 terms )\n\n R19_4 = RKI( 40 ) * YC( NO ) * DTC ! OH+NO=HONO\n\nc..Remaining HONO production terms\n P19 = 2.0000D+00 * RXRAT( 41 ) ! NO+NO2=0.2000D+01*HONO\n & + RXRAT( 201 ) ! CRON=HONO+HO2+FORM+OPEN\n & + 5.0000D-01 * RXRAT( 278 ) ! NO2=0.5000D+00*HONO+...\n\n P19 = YC0( HONO ) + P19 * DTC\n\nc..Production of PNA from HO2 (r21,5 term )\n\n R21_5 = RKI( 48 ) * YCP( NO2 ) * DTC ! HO2+NO2=HNO4\n\nc..Remaining PNA production terms\n P21 = YC0( PNA )\n\nc..OH loss terms not in R5_4 & R19_4\n L4 = 2.0000D+00 * RKI( 16 ) * YC ( OH ) ! OH+OH=O\n & + 2.0000D+00 * RKI( 17 ) * YC ( OH ) ! OH+OH=H2O2\n & + RKI( 18 ) * YC ( HO2 ) ! OH+HO2=\n & + RKI( 44 ) * YC ( HONO ) ! OH+HONO=NO2\n & + RKI( 45 ) * YC ( NO2 ) ! OH+NO2=HNO3\n & + RKI( 46 ) * YC ( HNO3 ) ! OH+HNO3=NO3\n & + RKI( 51 ) * YC ( PNA ) ! OH+PNA=NO2\n & + 6.0000D-01 * RKI( 87 ) * YC ( MEPX ) ! OH+MEPX=0.6000D+...\n & + 6.0000D-01 * RKI( 89 ) * YC ( ROOH ) ! OH+ROOH=0.5400D+...\n & + RKI( 91 ) * YC ( NTR1 ) ! OH+NTR1=NTR2\n & + RKI( 94 ) * YC ( AACD ) ! OH+AACD=MEO2+RO2\n & + RKI( 95 ) * YC ( PACD ) ! OH+PACD=C2O3\n & + RKI( 106 ) * YC ( ALD2 ) ! OH+ALD2=C2O3\n & + RKI( 110 ) * YC ( ALDX ) ! OH+ALDX=CXO3\n & + 8.0000D-01 * RKI( 113 ) * YC ( GLYD ) ! OH+GLYD=0.2000D+...\n & + RKI( 121 ) * YC ( MGLY ) ! OH+MGLY=C2O3+CO\n & + RKI( 124 ) ! OH=MEO2+RO2\n & + RKI( 125 ) * YC ( ETHA ) ! OH+ETHA=0.9910D+...\n & + 1.0000D-01 * RKI( 127 ) * YC ( ETOH ) ! OH+ETOH=0.9000D+...\n & + RKI( 130 ) * YC ( ACET ) ! OH+ACET=FORM+...\n & + RKI( 131 ) * YC ( PRPA ) ! OH+PRPA=XPRP\n & + RKI( 132 ) * YC ( PAR ) ! OH+PAR=XPAR\n & + RKI( 138 ) * YC ( ETH ) ! OH+ETH=XO2H+RO2+...\n & + RKI( 142 ) * YC ( OLE ) ! OH+OLE=0.7810D+...\n & + RKI( 146 ) * YC ( IOLE ) ! OH+IOLE=0.1300D+...\n & + RKI( 149 ) * YC ( ISOP ) ! OH+ISOP=ISO2+RO2+...\n & + 8.6300D-01 * RKI( 158 ) * YC ( ISPD ) ! OH+ISPD=0.1370D+...\n & + 6.7000D-02 * RKI( 162 ) * YC ( ISPX ) ! OH+ISPX=0.9040D+...\n & + RKI( 165 ) * YC ( EPOX ) ! OH+EPOX=EPX2+RO2\n & + RKI( 170 ) * YC ( INTR ) ! OH+INTR=0.6300D+...\n & + RKI( 172 ) * YC ( TERP ) ! OH+TERP=0.7500D+...\n & + RKI( 176 ) * YC ( APIN ) ! OH+APIN=0.7500D+...\n & + 3.5200D-01 * RKI( 179 ) * YC ( BENZENE ) ! OH+BENZENE=...\n & + 7.2000D-01 * RKI( 184 ) * YC ( TOL ) ! OH+TOL=0.1800D+...\n & + 6.0100D-01 * RKI( 189 ) * YC ( XYLMN ) ! OH+XYLMN=0.1550D+...\n & + 6.0100D-01 * RKI( 190 ) * YC ( NAPH ) ! OH+NAPH=0.1550D+...\n & + RKI( 199 ) * YC ( CRON ) ! OH+CRON=NTR2+...\n & + RKI( 203 ) * YC ( XOPN ) ! OH+XOPN=MGLY+...\n & + RKI( 207 ) * YC ( OPEN ) ! OH+OPEN=0.6000D+...\n & + 8.0000D-01 * RKI( 210 ) * YC ( CAT1 ) ! OH+CAT1=0.2000D+...\n & + RKI( 218 ) * YC ( OPAN ) ! OH+OPAN=0.5000D+...\n & + RKI( 219 ) * YC ( PANX ) ! OH+PANX=ALD2+NO2\n & + RKI( 220 ) * YC ( ECH4 ) ! OH+ECH4=MEO2+RO2\n & + RKI( 225 ) * YC ( NO2 ) ! OH+NO2=HNO3\n & + RKI( 233 ) * YC ( FMCL ) ! OH+FMCL=CL+CO\n & + RKI( 248 ) * YC ( HCL ) ! OH+HCL=CL\n & + RKI( 346 ) * YC ( DMS ) ! OH+DMS=SO2+MEO2+FORM\n & + RKI( 347 ) * YC ( DMS ) ! OH+DMS=0.7500D+...\n\n L4 = 1.0D0 + L4 * DTC + R5_4 + R19_4\n\nc..HO2 loss terms not included in R4_5 & R21_5 (except for HO2+HO2 )\n L5 = RKI( 18 ) * YC ( OH ) ! HO2+OH=\n & + 5.0000D-01 * RKI( 57 ) * YC ( C2O3 ) ! HO2+C2O3=0.5000D+...\n & + 5.0000D-01 * RKI( 65 ) * YC ( CXO3 ) ! HO2+CXO3=0.5000D+...\n & + RKI( 72 ) * YC ( MEO2 ) ! HO2+MEO2=0.9000D+...\n & + RKI( 76 ) * YC ( XO2H ) ! HO2+XO2H=ROOH\n & + RKI( 80 ) * YC ( XO2 ) ! HO2+XO2=ROOH\n & + RKI( 84 ) * YC ( XO2N ) ! HO2+XO2N=ROOH\n & + RKI( 101 ) * YC ( FORM ) ! HO2+FORM=HCO3\n & + 6.0000D-01 * RKI( 104 ) * YC ( HCO3 ) ! HO2+HCO3=0.2000D+...\n & + 7.6000D-01 * RKI( 152 ) * YC ( ISO2 ) ! HO2+ISO2=0.1200D+...\n & + RKI( 182 ) * YC ( BZO2 ) ! HO2+BZO2=\n & + RKI( 187 ) * YC ( TO2 ) ! HO2+TO2=\n & + RKI( 192 ) * YC ( XLO2 ) ! HO2+XLO2=\n & + RKI( 198 ) * YC ( CRO ) ! HO2+CRO=CRES\n & + 5.0000D-01 * RKI( 215 ) * YC ( OPO3 ) ! HO2+OPO3=0.5000D+...\n & + RKI( 231 ) * YC ( CLO ) ! HO2+CLO=HOCL\n\n L5 = 1.0D0 + L5 * DTC + R4_5 + R21_5\n\nc..HONO loss terms not included in R4_19\n L19 = 2.0000D+00 * RKI( 42 ) * YC ( HONO ) ! HONO+HONO=NO+NO2\n & + RKI( 44 ) * YC ( OH ) ! HONO+OH=NO2\n\n L19 = 1.0D0 + L19 * DTC + R4_19\n\nc..PNA loss terms not included in R5_21\n L21 = 4.1000D-01 * RKI( 50 ) ! PNA=0.5900D+...\n & + RKI( 51 ) * YC ( OH ) ! PNA+OH=NO2\n\n L21 = 1.0D0 + L21 * DTC + R5_21\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Solution section\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\nc..compute terms used to calculate a,b & c\n L21_INV = 1.0D0 / L21\n T1 = 1.0D0 / ( L4 * L19 - R4_19 * R19_4 )\n T2 = R5_4 * T1\n T3 = R5_21 * L21_INV\n\nc..solve quadratic equation for HO2\n A = 2.0D0 * ( RKI( 19 ) + RKI( 20 ) ) * DTC\n\n B = L5 - T3 * R21_5 - T2 * R4_5 * L19\n\n C = P5 + T3 * P21 + T2 * ( P4 * L19 + P19 * R4_19 )\n\n Q = -0.5D0 * ( B + SIGN( 1.0D0, B ) * SQRT( B * B + 4.0D0 * A * C ) )\n\n YCP( HO2 ) = MAX( Q / A , -C / Q )\n\nc..compute remaining species concentrations\n YCP( OH ) = ( ( P4 + R4_5 * YCP( HO2 ) ) * L19 + R4_19 * P19 ) * T1\n\n YCP( PNA ) = ( P21 + R21_5 * YCP( HO2 ) ) * L21_INV\n\n YCP( HONO ) = ( P19 + R19_4 * YCP( OH ) ) / L19\n\n RETURN\n\n END\n\n\n" }, { "path": "CCTM/src/gas/ebi_cb6r5_ae7_aq/hrg3.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE HRG3( DTC )\n\nC**********************************************************************\nC\nC FUNCTION: To solve for the concentration of C2O3 and PAN\nC\nC PRECONDITIONS: For the CB6R5_AE7_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 8, 2022\nC\nC 18 Jul 14 B.Hutzell: revised to use real(8) variables\nC**********************************************************************\n USE HRDATA\n\n IMPLICIT NONE\n\nC..INCLUDES: NONE\n\nC..ARGUMENTS:\n REAL( 8 ), INTENT( IN ) :: DTC ! Time step\n\n\nC..PARAMETERS: NONE\n\n\nC..EXTERNAL FUNCTIONS: NONE\n\n\nC..SAVED LOCAL VARIABLES:\n! CHARACTER( 16 ), SAVE :: PNAME = 'HRG3' ! Program name\n\n\nC..SCRATCH LOCAL VARIABLES:\n REAL( 8 ) :: A, B, C, Q ! Quadratic equation terms\n REAL( 8 ) :: CMN ! Temp scalar\n REAL( 8 ) :: L8 ! Loss of CCO_O2\n REAL( 8 ) :: L9 ! Loss of PAN\n REAL( 8 ) :: P8 ! Production of CCO_O2\n\n REAL( 8 ) :: K8_8 ! Kc2o3+c2o3 * delta t\n REAL( 8 ) :: R8_9 ! Kpan-->c2o3 * delta t\n REAL( 8 ) :: R9_8 ! Kc2o3+no2-->pan * [NO2] * delta t\n\nC**********************************************************************\n\n\nc..Production of C2O3 (except from PAN )\n P8 = RXRAT( 95 ) ! PACD+OH=C2O3\n & + RXRAT( 105 ) ! ALD2+O=C2O3+OH\n & + RXRAT( 106 ) ! ALD2+OH=C2O3\n & + RXRAT( 107 ) ! ALD2+NO3=C2O3+HNO3\n & + 8.0000D-01 * RXRAT( 113 ) ! GLYD+OH=0.8000D+00*C2O3+...\n & + RXRAT( 115 ) ! GLYD+NO3=C2O3+HNO3\n & + RXRAT( 119 ) ! MGLY=C2O3+HO2+CO\n & + RXRAT( 120 ) ! MGLY+NO3=C2O3+HNO3+XO2+RO2\n & + RXRAT( 121 ) ! MGLY+OH=C2O3+CO\n & + 5.0000D-01 * RXRAT( 128 ) ! KET=0.5000D+00*C2O3+...\n & + 6.2000D-01 * RXRAT( 129 ) ! ACET=0.6200D+00*C2O3+...\n & + RXRAT( 130 ) ! ACET+OH=C2O3+FORM+XO2+RO2\n & + 2.6900D-01 * RXRAT( 158 ) ! ISPD+OH=0.2690D+00*C2O3+...\n & + 1.4300D-01 * RXRAT( 159 ) ! ISPD+O3=0.1430D+00*C2O3+...\n & + 2.0800D-01 * RXRAT( 161 ) ! ISPD=0.2080D+00*C2O3+...\n & + 3.0000D-01 * RXRAT( 202 ) ! XOPN=0.3000D+00*C2O3+XO2H+...\n & + 6.0000D-01 * RXRAT( 204 ) ! XOPN+O3=0.6000D+00*C2O3+...\n & + 1.2000D-01 * RXRAT( 208 ) ! OPEN+O3=0.1200D+00*C2O3+...\n & + RXRAT( 244 ) ! CL+ALD2=C2O3+HCL\n\nc..Loss frequency of C2O3 ( not including C2O3 + C2O3 )\n L8 = RKI( 53 ) * YC ( NO ) ! C2O3+NO=NO2+MEO2+RO2\n & + RKI( 54 ) * YC ( NO2 ) ! C2O3+NO2=PAN\n & + RKI( 57 ) * YC ( HO2 ) ! C2O3+HO2=0.3700D+...\n & + RKI( 58 ) * YC ( RO2 ) ! C2O3+RO2=MEO2\n & + RKI( 60 ) * YC ( CXO3 ) ! C2O3+CXO3=MEO2+...\n & + RKI( 73 ) * YC ( MEO2 ) ! C2O3+MEO2=FORM+...\n & + RKI( 77 ) * YC ( XO2H ) ! C2O3+XO2H=...\n & + RKI( 81 ) * YC ( XO2 ) ! C2O3+XO2=0.8000D+...\n & + RKI( 85 ) * YC ( XO2N ) ! C2O3+XO2N=...\n & + RKI( 153 ) * YC ( ISO2 ) ! C2O3+ISO2=...\n & + RKI( 168 ) * YC ( EPX2 ) ! C2O3+EPX2=...\n & + RKI( 181 ) * YC ( BZO2 ) ! C2O3+BZO2=GLY+...\n & + RKI( 186 ) * YC ( TO2 ) ! C2O3+TO2=0.4800D+...\n & + RKI( 193 ) * YC ( XLO2 ) ! C2O3+XLO2=...\n & + RKI( 216 ) * YC ( OPO3 ) ! C2O3+OPO3=MEO2+...\n\nc..Loss frequency of PAN\n L9 = RKI( 55 ) ! PAN=NO2+C2O3\n & + RKI( 56 ) ! PAN=0.6000D+...\n\nc..K8_8, R8_9, and R9_8 terms\n K8_8 = RKI( 59 ) * DTC\n\n R8_9 = ( RKI( 55 )\n & + RKI( 56 ) ) * DTC \n\n R9_8 = ( RKI( 54 ) * YC( NO2 ) ) * DTC \n\nc..Solution of quadratic equation to get C2O3 & PAN\n CMN = 1.0 + L9 * DTC\n A = 2.0D0 * K8_8 * CMN\n B = CMN * ( 1.0D0 + L8 * DTC ) - R8_9 * R9_8\n C = CMN * ( YC0( C2O3 ) + P8 * DTC ) + R8_9 * YC0( PAN )\n\n Q = -0.5D0 * ( B + SIGN( 1.0D0, B ) * SQRT( B * B + 4.0D0 * A * C ) )\n\n YCP( C2O3 ) = MAX( Q / A , -C / Q )\n\n YCP( PAN ) = ( YC0( PAN ) + R9_8 * YCP( C2O3 ) ) / CMN\n\n RETURN\n\n END\n" }, { "path": "CCTM/src/gas/ebi_cb6r5_ae7_aq/hrg4.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE HRG4( DTC )\n\nC**********************************************************************\nC\nC FUNCTION: To solve for the concentration of NO3 and N2O5\nC\nC PRECONDITIONS: For the CB6R5_AE7_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 8, 2022\nC\nC 18 Jul 14 B.Hutzell: revised to use real(8) variables\nC**********************************************************************\n USE HRDATA\n\n IMPLICIT NONE\n\n\nC..INCLUDES: NONE\n\n\nC..ARGUMENTS:\n REAL( 8 ), INTENT( IN ) :: DTC ! Time step\n\n\nC..PARAMETERS: NONE\n\n\nC..EXTERNAL FUNCTIONS: NONE\n\n\nC..SAVED LOCAL VARIABLES:\n! CHARACTER( 16 ), SAVE :: PNAME = 'HRG4' ! Program name\n\n\nC..SCRATCH LOCAL VARIABLES:\n REAL( 8 ) :: A, B, C, Q ! Quadratic equation terms\n REAL( 8 ) :: CMN ! Temp scalar\n REAL( 8 ) :: L15 ! Loss of NO3\n REAL( 8 ) :: L16 ! Loss of N2O5\n REAL( 8 ) :: P15 ! Production of NO3\n REAL( 8 ) :: K15_15 ! Kno3+no3 * delta t\n REAL( 8 ) :: R15_16 ! Kn2o5-->no3 * delta t\n REAL( 8 ) :: R16_15 ! Kno3+no2-->n2o5[NO2] * delta t\n\n\nC**********************************************************************\n\n\nc..Production of NO3 (except from N2O5 )\n P15 = RKI( 6 ) * YCP( O ) * YCP( NO2 ) ! O+NO2=NO3\n & + RKI( 26 ) * YCP( NO2 ) * YCP( O3 ) ! NO2+O3=NO3\n & + RKI( 46 ) * YC ( HNO3 ) * YCP( OH ) ! HNO3+OH=NO3\n & + 4.1000D-01 * RKI( 50 ) * YC ( PNA ) ! PNA=0.4100D+00*NO3+0.5900D+...\n & + 4.0000D-01 * RKI( 56 ) * YC ( PAN ) ! PAN=0.4000D+00*NO3+0.6000D+...\n & + 4.0000D-01 * RKI( 64 ) * YC ( PANX ) ! PANX=0.4000D+00*NO3+...\n & + 1.8500D-01 * RKI( 170 ) * YC ( INTR ) * YCP( OH ) ! INTR+OH=0.1850D+00*NO3+...\n & + RKI( 255 ) * YC ( CLNO3 ) ! CLNO3=NO3+CL\n\nc..Loss frequency of NO3 ( except NO3 + NO3 if present )\n L15 = RKI( 27 ) ! NO3=NO2+O\n & + RKI( 28 ) ! NO3=NO\n & + RKI( 29 ) * YCP( NO ) ! NO3+NO=0.2000D+...\n & + RKI( 30 ) * YCP( NO2 ) ! NO3+NO2=NO+NO2\n & + RKI( 31 ) * YCP( O ) ! NO3+O=NO2\n & + RKI( 32 ) * YCP( OH ) ! NO3+OH=HO2+NO2\n & + RKI( 33 ) * YCP( HO2 ) ! NO3+HO2=OH+NO2\n & + RKI( 34 ) * YCP( O3 ) ! NO3+O3=NO2\n & + RKI( 36 ) * YCP( NO2 ) ! NO3+NO2=N2O5\n & + RKI( 100 ) * YC ( FORM ) ! NO3+FORM=HNO3+HO2+CO\n & + RKI( 107 ) * YC ( ALD2 ) ! NO3+ALD2=C2O3+HNO3\n & + RKI( 111 ) * YC ( ALDX ) ! NO3+ALDX=CXO3+HNO3\n & + RKI( 115 ) * YC ( GLYD ) ! NO3+GLYD=HNO3+C2O3\n & + RKI( 118 ) * YC ( GLY ) ! NO3+GLY=HNO3+...\n & + RKI( 120 ) * YC ( MGLY ) ! NO3+MGLY=HNO3+...\n & + RKI( 140 ) * YC ( ETH ) ! NO3+ETH=0.5000D+...\n & + RKI( 144 ) * YC ( OLE ) ! NO3+OLE=0.5000D+...\n & + RKI( 148 ) * YC ( IOLE ) ! NO3+IOLE=0.5000D+...\n & + RKI( 157 ) * YC ( ISOP ) ! NO3+ISOP=0.3500D+...\n & + RKI( 160 ) * YC ( ISPD ) ! NO3+ISPD=0.7170D+...\n & + RKI( 164 ) * YC ( HPLD ) ! NO3+HPLD=HNO3+ISPD\n & + RKI( 174 ) * YC ( TERP ) ! NO3+TERP=0.4700D+...\n & + RKI( 178 ) * YC ( APIN ) ! NO3+APIN=0.4700D+...\n & + RKI( 196 ) * YC ( CRES ) ! NO3+CRES=0.3000D+...\n & + RKI( 200 ) * YC ( CRON ) ! NO3+CRON=NTR2+...\n & + RKI( 205 ) * YC ( XOPN ) ! NO3+XOPN=0.5000D+...\n & + RKI( 209 ) * YC ( OPEN ) ! NO3+OPEN=OPO3+HNO3\n & + RKI( 211 ) * YC ( CAT1 ) ! NO3+CAT1=CRO+HNO3\n & + RKI( 348 ) * YC ( DMS ) ! NO3+DMS=SO2+HNO3+...\n\nc..Loss frequency of N2O5\n L16 = RKI( 37 ) ! N2O5=NO3+NO2\n & + RKI( 38 ) ! N2O5=NO2+NO3\n & + RKI( 39 ) ! N2O5=0.2000D+01*HNO3\n & + RKI( 271 ) ! N2O5=HNO3+H2NO3PIJ\n & + RKI( 272 ) ! N2O5=HNO3+H2NO3PK\n\nc..K15_15, R15_16, and R16_15 terms\n K15_15 = RKI( 35 ) * DTC\n\n R15_16 = ( RKI( 37 )\n & + RKI( 38 ) ) * DTC \n\n\n R16_15 = RKI( 36 ) * YCP( NO2 ) * DTC\n\nc..Solution of quadratic equation to get NO3 & N2O5\n CMN = 1.0D0 + L16 * DTC\n A = 2.0D0 * K15_15 * CMN\n B = CMN * ( 1.0D0 + L15 * DTC ) - R15_16 * R16_15\n C = CMN * ( YC0( NO3 ) + P15 * DTC ) + R15_16 * YC0( N2O5 )\n\n Q = -0.5D0 * ( B + SIGN( 1.0D0, B ) * SQRT( B * B + 4.0D0 * A * C ) )\n YCP( NO3 ) = MAX( Q / A , -C / Q )\n YCP( N2O5 ) = ( YC0( N2O5 ) + R16_15 * YCP( NO3 ) ) / CMN\n\n RETURN\n\n END\n" }, { "path": "CCTM/src/gas/ebi_cb6r5_ae7_aq/hrinit.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\n SUBROUTINE HRINIT\nC***********************************************************************\nC\nC FUNCTION: To initialize species tolerances, arrays, and indices\nC\nC PRECONDITIONS: For the CB6R5_AE7_AQ mechanism\nC\nC RETURN VALUES: None\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 8, 2022\nC 21 Jun 10 J.Young: convert for Namelist redesign\nC 18 Jul 14 B.Hutzell: revised to use the RXNS_DATA and RXNS_FUNCTION\nC modules instead of include files\nC***********************************************************************\n\n USE UTILIO_DEFN\n USE HRDATA\n USE RXNS_DATA\n USE RXNS_FUNCTION\n\n IMPLICIT NONE\n\nC.....INCLUDES:\n Include SUBST_CONST ! common constants\n\nC.....ARGUMENTS: NONE\n\nC.....PARAMETERS: NONE\n\n\nC.....SAVED VARIABLES:\n CHARACTER( 16 ), SAVE :: PNAME = 'HRINIT' ! Program name\n\n\nC.....LOCAL VARIABLES:\n CHARACTER( 132 ) :: MSG ! Log message\n\n INTEGER N ! Loop index\n INTEGER IOS ! Allocate error status\n\nC***********************************************************************\n\n N_SPEC = NUMB_MECH_SPC\n N_RXNS = NRXNS\n N_SPCL_RKS = 0\n ALLOCATE( RKI( NRXNS ),\n & RKI_SAV( MAX_CELLS_EBI, NRXNS ),\n & FORWARD_CONV( NUMB_MECH_SPC),\n & REVERSE_CONV( NUMB_MECH_SPC),\n & RXRAT( NRXNS ),\n & RTOL( NUMB_MECH_SPC),\n & YC( NUMB_MECH_SPC),\n & YC0( NUMB_MECH_SPC),\n & YCP( NUMB_MECH_SPC),\n & PROD( NUMB_MECH_SPC),\n & LOSS( NUMB_MECH_SPC),\n & PNEG( N_SPEC),\n & STAT = IOS )\n\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating RKI, RXRAT, RTOL, YC, YC0, YCP, FORWARD_CONV, '\n & // 'REVERSE_CONV, PROD, LOSS, or PNEG'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n ALLOCATE( ATMPRES( MAX_CELLS_EBI ),\n & H2O ( MAX_CELLS_EBI ),\n & TEMP ( MAX_CELLS_EBI ),\n & DENSITY( MAX_CELLS_EBI ),\n & HET ( MAX_CELLS_EBI, NHETERO ),\n & RJIN ( MAX_CELLS_EBI, NPHOTAB ),\n & SEAWATER ( MAX_CELLS_EBI ) ,\n & STAT = IOS )\n\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating ATMPRES, H2O, TEMP, HET, RJIN, SEAWATER '\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n IF( NSPECIAL .GT. 0 )THEN\n ALLOCATE( SYC( MAX_CELLS_EBI, NUMB_MECH_SPC ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating SYC'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n ALLOCATE( IOLD2NEW( NUMB_MECH_SPC, 1 ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating IOLD2NEW'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n DO N = 1, NUMB_MECH_SPC\n IOLD2NEW( N, 1 ) = N\n END DO\n END IF\n\n IF( .NOT. MAP_CHEMISTRY_SPECIES() )THEN\n MSG = 'Detected above error(s) when mapping Chemistry species from CGRID species'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n\n DO N = 1, NUMB_MECH_SPC\n FORWARD_CONV( N ) = 1.0E-3 * MWAIR / SPECIES_MOLWT( N )\n REVERSE_CONV( N ) = 1.0E+3 / MWAIR * SPECIES_MOLWT( N )\n END DO\n\n! initialize all reaction rates to zero so unused array elements are defined\n\n RXRAT = 0.0D0\n\n! initialize all production and loss rates to zero so unused array elements are defined\n\n PROD = 0.0D0\n LOSS = 0.0D0\n\n NING1 = 4\n NING2 = 4\n\n ALLOCATE( YCCELL( MODEL_SPECIES), STAT = IOS ) ! array for degradation routines\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating YCCELL '\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n\nc..Allocate and define ebi species\n\n N_EBISP = 136\n ALLOCATE( EBISP( N_EBISP ), STAT = IOS ) \n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating EBISP' \n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n EBISP( 1 ) = H2O2\n EBISP( 2 ) = HNO3\n EBISP( 3 ) = SO2\n EBISP( 4 ) = SULF\n EBISP( 5 ) = SULRXN\n EBISP( 6 ) = MEO2\n EBISP( 7 ) = RO2\n EBISP( 8 ) = PACD\n EBISP( 9 ) = AACD\n EBISP( 10 ) = CXO3\n EBISP( 11 ) = ALD2\n EBISP( 12 ) = XO2H\n EBISP( 13 ) = PANX\n EBISP( 14 ) = FORM\n EBISP( 15 ) = MEPX\n EBISP( 16 ) = MEOH\n EBISP( 17 ) = ROOH\n EBISP( 18 ) = XO2\n EBISP( 19 ) = XO2N\n EBISP( 20 ) = NTR1\n EBISP( 21 ) = NTR2\n EBISP( 22 ) = FACD\n EBISP( 23 ) = CO\n EBISP( 24 ) = HCO3\n EBISP( 25 ) = ALDX\n EBISP( 26 ) = GLYD\n EBISP( 27 ) = GLY\n EBISP( 28 ) = MGLY\n EBISP( 29 ) = ETHA\n EBISP( 30 ) = ETOH\n EBISP( 31 ) = KET\n EBISP( 32 ) = PAR\n EBISP( 33 ) = ACET\n EBISP( 34 ) = PRPA\n EBISP( 35 ) = XPRP\n EBISP( 36 ) = XPAR\n EBISP( 37 ) = ROR\n EBISP( 38 ) = ETHY\n EBISP( 39 ) = ETH\n EBISP( 40 ) = OLE\n EBISP( 41 ) = IOLE\n EBISP( 42 ) = ISOP\n EBISP( 43 ) = ISO2\n EBISP( 44 ) = ISOPRXN\n EBISP( 45 ) = ISPD\n EBISP( 46 ) = INTR\n EBISP( 47 ) = ISPX\n EBISP( 48 ) = HPLD\n EBISP( 49 ) = OPO3\n EBISP( 50 ) = EPOX\n EBISP( 51 ) = EPX2\n EBISP( 52 ) = TERP\n EBISP( 53 ) = TRPRXN\n EBISP( 54 ) = TERPNRO2\n EBISP( 55 ) = APIN\n EBISP( 56 ) = BENZENE\n EBISP( 57 ) = CRES\n EBISP( 58 ) = BZO2\n EBISP( 59 ) = OPEN\n EBISP( 60 ) = BENZRO2\n EBISP( 61 ) = TOL\n EBISP( 62 ) = TO2\n EBISP( 63 ) = TOLRO2\n EBISP( 64 ) = XOPN\n EBISP( 65 ) = XYLMN\n EBISP( 66 ) = XLO2\n EBISP( 67 ) = XYLRO2\n EBISP( 68 ) = NAPH\n EBISP( 69 ) = PAHRO2\n EBISP( 70 ) = CRO\n EBISP( 71 ) = CAT1\n EBISP( 72 ) = CRON\n EBISP( 73 ) = OPAN\n EBISP( 74 ) = ECH4\n EBISP( 75 ) = CL2\n EBISP( 76 ) = CL\n EBISP( 77 ) = HOCL\n EBISP( 78 ) = CLO\n EBISP( 79 ) = FMCL\n EBISP( 80 ) = HCL\n EBISP( 81 ) = CLNO2\n EBISP( 82 ) = CLNO3\n EBISP( 83 ) = SVAVB2\n EBISP( 84 ) = SVAVB3\n EBISP( 85 ) = SVAVB4\n EBISP( 86 ) = SVAVB1\n EBISP( 87 ) = SESQ\n EBISP( 88 ) = SESQRXN\n EBISP( 89 ) = SOAALK\n EBISP( 90 ) = H2NO3PIJ\n EBISP( 91 ) = H2NO3PK\n EBISP( 92 ) = ACLI\n EBISP( 93 ) = ACLJ\n EBISP( 94 ) = ACLK\n EBISP( 95 ) = IEPOXP\n EBISP( 96 ) = ASO4J\n EBISP( 97 ) = AISO3J\n EBISP( 98 ) = AGLYJ\n EBISP( 99 ) = MTNO3\n EBISP( 100 ) = AMTNO3J\n EBISP( 101 ) = AMTHYDJ\n EBISP( 102 ) = AAVB2J\n EBISP( 103 ) = AOLGAJ\n EBISP( 104 ) = AAVB3J\n EBISP( 105 ) = AAVB4J\n EBISP( 106 ) = AISO1J\n EBISP( 107 ) = AOLGBJ\n EBISP( 108 ) = AISO2J\n EBISP( 109 ) = ASQTJ\n EBISP( 110 ) = APOCI\n EBISP( 111 ) = APNCOMI\n EBISP( 112 ) = APOCJ\n EBISP( 113 ) = APNCOMJ\n EBISP( 114 ) = PCVOC\n EBISP( 115 ) = PCSOARXN\n EBISP( 116 ) = VLVPO1\n EBISP( 117 ) = VSVPO1\n EBISP( 118 ) = VSVPO2\n EBISP( 119 ) = VSVPO3\n EBISP( 120 ) = VIVPO1\n EBISP( 121 ) = VLVOO1\n EBISP( 122 ) = VLVOO2\n EBISP( 123 ) = VSVOO2\n EBISP( 124 ) = VSVOO3\n EBISP( 125 ) = VSVOO1\n EBISP( 126 ) = FORM_PRIMARY\n EBISP( 127 ) = ALD2_PRIMARY\n EBISP( 128 ) = BUTADIENE13\n EBISP( 129 ) = ACROLEIN\n EBISP( 130 ) = ACRO_PRIMARY\n EBISP( 131 ) = TOLU\n EBISP( 132 ) = HG\n EBISP( 133 ) = HGIIAER\n EBISP( 134 ) = HGIIGAS\n EBISP( 135 ) = DMS\n EBISP( 136 ) = MSA\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Set species tolerances\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n RTOL( NO2 ) = 5.0D-04\n RTOL( NO ) = 5.0D-04\n RTOL( O ) = 1.0D+00\n RTOL( O3 ) = 5.0D-04\n RTOL( NO3 ) = 5.0D-04\n RTOL( O1D ) = 1.0D+00\n RTOL( OH ) = 5.0D-04\n RTOL( HO2 ) = 5.0D-04\n RTOL( H2O2 ) = 5.0D-04\n RTOL( N2O5 ) = 5.0D-04\n RTOL( HNO3 ) = 5.0D-04\n RTOL( HONO ) = 5.0D-04\n RTOL( PNA ) = 5.0D-04\n RTOL( SO2 ) = 5.0D-04\n RTOL( SULF ) = 1.0D+00\n RTOL( SULRXN ) = 1.0D+00\n RTOL( C2O3 ) = 5.0D-04\n RTOL( MEO2 ) = 5.0D-04\n RTOL( RO2 ) = 5.0D-04\n RTOL( PAN ) = 5.0D-04\n RTOL( PACD ) = 5.0D-04\n RTOL( AACD ) = 5.0D-04\n RTOL( CXO3 ) = 5.0D-04\n RTOL( ALD2 ) = 5.0D-04\n RTOL( XO2H ) = 5.0D-04\n RTOL( PANX ) = 5.0D-04\n RTOL( FORM ) = 5.0D-04\n RTOL( MEPX ) = 5.0D-04\n RTOL( MEOH ) = 5.0D-04\n RTOL( ROOH ) = 5.0D-04\n RTOL( XO2 ) = 5.0D-04\n RTOL( XO2N ) = 5.0D-04\n RTOL( NTR1 ) = 5.0D-04\n RTOL( NTR2 ) = 5.0D-04\n RTOL( FACD ) = 5.0D-04\n RTOL( CO ) = 5.0D-04\n RTOL( HCO3 ) = 1.0D+00\n RTOL( ALDX ) = 5.0D-04\n RTOL( GLYD ) = 5.0D-04\n RTOL( GLY ) = 5.0D-04\n RTOL( MGLY ) = 5.0D-04\n RTOL( ETHA ) = 5.0D-04\n RTOL( ETOH ) = 5.0D-04\n RTOL( KET ) = 5.0D-04\n RTOL( PAR ) = 5.0D-04\n RTOL( ACET ) = 5.0D-04\n RTOL( PRPA ) = 5.0D-04\n RTOL( XPRP ) = 5.0D-04\n RTOL( XPAR ) = 5.0D-04\n RTOL( ROR ) = 5.0D-04\n RTOL( ETHY ) = 5.0D-04\n RTOL( ETH ) = 5.0D-04\n RTOL( OLE ) = 5.0D-04\n RTOL( IOLE ) = 5.0D-04\n RTOL( ISOP ) = 5.0D-04\n RTOL( ISO2 ) = 5.0D-04\n RTOL( ISOPRXN ) = 1.0D+00\n RTOL( ISPD ) = 5.0D-04\n RTOL( INTR ) = 5.0D-04\n RTOL( ISPX ) = 5.0D-04\n RTOL( HPLD ) = 5.0D-04\n RTOL( OPO3 ) = 5.0D-04\n RTOL( EPOX ) = 5.0D-04\n RTOL( EPX2 ) = 5.0D-04\n RTOL( TERP ) = 5.0D-04\n RTOL( TRPRXN ) = 1.0D+00\n RTOL( TERPNRO2 ) = 5.0D-04\n RTOL( APIN ) = 5.0D-04\n RTOL( BENZENE ) = 5.0D-04\n RTOL( CRES ) = 5.0D-04\n RTOL( BZO2 ) = 5.0D-04\n RTOL( OPEN ) = 5.0D-04\n RTOL( BENZRO2 ) = 5.0D-04\n RTOL( TOL ) = 5.0D-04\n RTOL( TO2 ) = 5.0D-04\n RTOL( TOLRO2 ) = 5.0D-04\n RTOL( XOPN ) = 5.0D-04\n RTOL( XYLMN ) = 5.0D-04\n RTOL( XLO2 ) = 5.0D-04\n RTOL( XYLRO2 ) = 5.0D-04\n RTOL( NAPH ) = 5.0D-04\n RTOL( PAHRO2 ) = 1.0D+00\n RTOL( CRO ) = 5.0D-04\n RTOL( CAT1 ) = 5.0D-04\n RTOL( CRON ) = 5.0D-04\n RTOL( OPAN ) = 5.0D-04\n RTOL( ECH4 ) = 5.0D-04\n RTOL( CL2 ) = 5.0D-04\n RTOL( CL ) = 5.0D-04\n RTOL( HOCL ) = 5.0D-04\n RTOL( CLO ) = 5.0D-04\n RTOL( FMCL ) = 5.0D-04\n RTOL( HCL ) = 5.0D-04\n RTOL( CLNO2 ) = 5.0D-04\n RTOL( CLNO3 ) = 5.0D-04\n RTOL( SVAVB2 ) = 5.0D-04\n RTOL( SVAVB3 ) = 5.0D-04\n RTOL( SVAVB4 ) = 5.0D-04\n RTOL( SVAVB1 ) = 5.0D-04\n RTOL( SESQ ) = 5.0D-04\n RTOL( SESQRXN ) = 1.0D+00\n RTOL( SOAALK ) = 5.0D-04\n RTOL( H2NO3PIJ ) = 5.0D-04\n RTOL( H2NO3PK ) = 5.0D-04\n RTOL( ACLI ) = 5.0D-04\n RTOL( ACLJ ) = 5.0D-04\n RTOL( ACLK ) = 5.0D-04\n RTOL( IEPOXP ) = 5.0D-04\n RTOL( ASO4J ) = 5.0D-04\n RTOL( AISO3J ) = 5.0D-04\n RTOL( AGLYJ ) = 5.0D-04\n RTOL( MTNO3 ) = 5.0D-04\n RTOL( AMTNO3J ) = 5.0D-04\n RTOL( AMTHYDJ ) = 5.0D-04\n RTOL( AAVB2J ) = 5.0D-04\n RTOL( AOLGAJ ) = 5.0D-04\n RTOL( AAVB3J ) = 5.0D-04\n RTOL( AAVB4J ) = 5.0D-04\n RTOL( AISO1J ) = 5.0D-04\n RTOL( AOLGBJ ) = 5.0D-04\n RTOL( AISO2J ) = 5.0D-04\n RTOL( ASQTJ ) = 5.0D-04\n RTOL( APOCI ) = 5.0D-04\n RTOL( APNCOMI ) = 5.0D-04\n RTOL( APOCJ ) = 5.0D-04\n RTOL( APNCOMJ ) = 5.0D-04\n RTOL( PCVOC ) = 5.0D-04\n RTOL( PCSOARXN ) = 5.0D-04\n RTOL( VLVPO1 ) = 5.0D-04\n RTOL( VSVPO1 ) = 5.0D-04\n RTOL( VSVPO2 ) = 5.0D-04\n RTOL( VSVPO3 ) = 5.0D-04\n RTOL( VIVPO1 ) = 5.0D-04\n RTOL( VLVOO1 ) = 5.0D-04\n RTOL( VLVOO2 ) = 5.0D-04\n RTOL( VSVOO2 ) = 5.0D-04\n RTOL( VSVOO3 ) = 5.0D-04\n RTOL( VSVOO1 ) = 5.0D-04\n RTOL( FORM_PRIMARY ) = 5.0D-04\n RTOL( ALD2_PRIMARY ) = 5.0D-04\n RTOL( BUTADIENE13 ) = 5.0D-04\n RTOL( ACROLEIN ) = 5.0D-04\n RTOL( ACRO_PRIMARY ) = 5.0D-04\n RTOL( TOLU ) = 5.0D-04\n RTOL( HG ) = 5.0D-04\n RTOL( HGIIAER ) = 5.0D-04\n RTOL( HGIIGAS ) = 5.0D-04\n RTOL( DMS ) = 5.0D-04\n RTOL( MSA ) = 5.0D-04\n\n\n RETURN\n\n END\n" }, { "path": "CCTM/src/gas/ebi_cb6r5_ae7_aq/hrprodloss.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE HRPRODLOSS\n\nC***********************************************************************\nC\nC FUNCTION: To compute the production and loss rates for EBI species\nC\nC PRECONDITIONS: For the CB6R5_AE7_AQ mechanism\nC\nC RETURN VALUES: None\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 8, 2022\nC\nC 18 Jul 14 B.Hutzell: revised to use real(8) variables\n\nC***********************************************************************\n USE HRDATA\n\n IMPLICIT NONE\n\n\nC.....INCLUDES: NONE\n\n\nC.....ARGUMENTS: NONE\n\n\nC.....PARAMETERS: NONE\n\n\nC.....EXTERNAL FUNCTIONS: NONE\n\n\nC.....SAVED VARIABLES: NONE\n! CHARACTER( 16 ), SAVE :: PNAME = 'HRPRODLOSS' ! Program name\n\n\nC.....LOCAL VARIABLES:\n\n\nC***********************************************************************\n\n\n PROD( H2O2 ) = RXRAT( 17 ) ! OH+OH=H2O2\n & + RXRAT( 19 ) ! HO2+HO2=H2O2\n & + RXRAT( 20 ) ! HO2+HO2=H2O2\n & + 4.0000D-02 * RXRAT( 143 ) ! OLE+O3=0.4000D-01*H2O2+...\n & + 8.0000D-02 * RXRAT( 147 ) ! IOLE+O3=0.8000D-01*H2O2+...\n LOSS( H2O2 ) = RXRAT( 21 ) ! H2O2=0.2000D+01*OH\n & + RXRAT( 22 ) ! H2O2+OH=HO2\n & + RXRAT( 23 ) ! H2O2+O=OH+HO2\n\n PROD( HNO3 ) = 2.0000D+00 * RXRAT( 39 ) ! N2O5=0.2000D+01*HNO3\n & + RXRAT( 45 ) ! NO2+OH=HNO3\n & + RXRAT( 100 ) ! FORM+NO3=HNO3+HO2+CO\n & + RXRAT( 107 ) ! ALD2+NO3=HNO3+C2O3\n & + RXRAT( 111 ) ! ALDX+NO3=HNO3+CXO3\n & + RXRAT( 115 ) ! GLYD+NO3=HNO3+C2O3\n & + RXRAT( 118 ) ! GLY+NO3=HNO3+0.1500D+01*CO+...\n & + RXRAT( 120 ) ! MGLY+NO3=HNO3+C2O3+XO2+RO2\n & + 7.1700D-01 * RXRAT( 160 ) ! ISPD+NO3=0.7170D+00*HNO3+...\n & + RXRAT( 164 ) ! HPLD+NO3=HNO3+ISPD\n & + RXRAT( 196 ) ! CRES+NO3=HNO3+0.3000D+...\n & + RXRAT( 200 ) ! CRON+NO3=HNO3+0.5000D+...\n & + RXRAT( 209 ) ! OPEN+NO3=HNO3+OPO3\n & + RXRAT( 211 ) ! CAT1+NO3=HNO3+CRO\n & + RXRAT( 225 ) ! NO2+OH=HNO3\n & + RXRAT( 256 ) ! CLNO3=HNO3+HOCL\n & + RXRAT( 257 ) ! CLNO3=HNO3+HOCL\n & + RXRAT( 270 ) ! NTR2=HNO3\n & + RXRAT( 271 ) ! N2O5=HNO3+H2NO3PIJ\n & + RXRAT( 272 ) ! N2O5=HNO3+H2NO3PK\n & + RXRAT( 273 ) ! H2NO3PIJ=HNO3\n & + RXRAT( 274 ) ! H2NO3PK=HNO3\n & + 5.0000D-01 * RXRAT( 278 ) ! NO2=0.5000D+00*HNO3+...\n & + RXRAT( 348 ) ! DMS+NO3=HNO3+SO2+MEO2+FORM\n LOSS( HNO3 ) = RXRAT( 46 ) ! HNO3+OH=NO3\n & + RXRAT( 47 ) ! HNO3=OH+NO2\n\n PROD( SO2 ) = RXRAT( 346 ) ! DMS+OH=SO2+MEO2+FORM\n & + 7.5000D-01 * RXRAT( 347 ) ! DMS+OH=0.7500D+00*SO2+...\n & + RXRAT( 348 ) ! DMS+NO3=SO2+HNO3+MEO2+FORM\n & + 8.6000D-01 * RXRAT( 349 ) ! DMS+CL=0.8600D+00*SO2+MEO2+...\n LOSS( SO2 ) = RXRAT( 52 ) ! SO2+OH=SULF+HO2+SULRXN\n\n PROD( SULF ) = RXRAT( 52 ) ! SO2+OH=SULF+HO2+SULRXN\n LOSS( SULF ) = 0.0D0\n\n PROD( SULRXN ) = RXRAT( 52 ) ! SO2+OH=SULRXN+HO2+SULF\n LOSS( SULRXN ) = 0.0D0\n\n PROD( MEO2 ) = RXRAT( 53 ) ! C2O3+NO=MEO2+NO2+RO2\n & + 4.0000D-01 * RXRAT( 56 ) ! PAN=0.4000D+00*MEO2+...\n & + 5.0000D-01 * RXRAT( 57 ) ! C2O3+HO2=0.5000D+00*MEO2+...\n & + RXRAT( 58 ) ! C2O3+RO2=MEO2\n & + 2.0000D+00 * RXRAT( 59 ) ! C2O3+C2O3=0.2000D+01*MEO2+...\n & + RXRAT( 60 ) ! C2O3+CXO3=MEO2+ALD2+XO2H+...\n & + 5.0000D-01 * RXRAT( 65 ) ! CXO3+HO2=0.5000D+00*MEO2+...\n & + RXRAT( 66 ) ! CXO3+RO2=MEO2\n & + 2.0000D+00 * RXRAT( 67 ) ! CXO3+CXO3=0.2000D+01*MEO2+...\n & + 8.0000D-01 * RXRAT( 77 ) ! XO2H+C2O3=0.8000D+00*MEO2+...\n & + 8.0000D-01 * RXRAT( 81 ) ! XO2+C2O3=0.8000D+00*MEO2+...\n & + 8.0000D-01 * RXRAT( 85 ) ! XO2N+C2O3=0.8000D+00*MEO2+...\n & + 6.0000D-01 * RXRAT( 87 ) ! MEPX+OH=0.6000D+00*MEO2+...\n & + RXRAT( 88 ) ! MEPX=MEO2+RO2+OH\n & + RXRAT( 94 ) ! AACD+OH=MEO2+RO2\n & + RXRAT( 108 ) ! ALD2=MEO2+RO2+CO+HO2\n & + RXRAT( 124 ) ! OH=MEO2+RO2\n & + 5.0000D-01 * RXRAT( 128 ) ! KET=0.5000D+00*MEO2+...\n & + 1.3800D+00 * RXRAT( 129 ) ! ACET=0.1380D+01*MEO2+...\n & + 8.0000D-01 * RXRAT( 153 ) ! ISO2+C2O3=0.8000D+00*MEO2+...\n & + 1.1500D-01 * RXRAT( 158 ) ! ISPD+OH=0.1150D+00*MEO2+...\n & + 3.4000D-01 * RXRAT( 161 ) ! ISPD=0.3400D+00*MEO2+...\n & + 8.0000D-01 * RXRAT( 168 ) ! EPX2+C2O3=0.8000D+00*MEO2+...\n & + RXRAT( 181 ) ! BZO2+C2O3=MEO2+OPEN+HO2+...\n & + RXRAT( 186 ) ! TO2+C2O3=MEO2+0.5200D+...\n & + RXRAT( 193 ) ! XLO2+C2O3=MEO2+0.7700D+...\n & + 5.0000D-01 * RXRAT( 215 ) ! OPO3+HO2=0.5000D+00*MEO2+...\n & + RXRAT( 216 ) ! OPO3+C2O3=MEO2+XO2+ALDX+...\n & + RXRAT( 220 ) ! ECH4+OH=MEO2+RO2\n & + RXRAT( 235 ) ! CL=MEO2+HCL+RO2\n & + RXRAT( 346 ) ! DMS+OH=MEO2+SO2+FORM\n & + RXRAT( 347 ) ! DMS+OH=MEO2+0.2500D+00*MSA+...\n & + RXRAT( 348 ) ! DMS+NO3=MEO2+HNO3+SO2+FORM\n & + RXRAT( 349 ) ! DMS+CL=MEO2+0.8600D+00*SO2+...\n LOSS( MEO2 ) = RXRAT( 71 ) ! MEO2+NO=FORM+HO2+NO2\n & + RXRAT( 72 ) ! MEO2+HO2=0.9000D+00*MEPX+...\n & + 1.0000D-01 * RXRAT( 73 ) ! MEO2+C2O3=0.9000D+00*MEO2+...\n & + RXRAT( 74 ) ! MEO2+RO2=0.6850D+00*FORM+...\n & + RXRAT( 232 ) ! MEO2+CLO=CL+FORM+HO2\n\n PROD( RO2 ) = RXRAT( 53 ) ! C2O3+NO=RO2+MEO2+NO2\n & + 4.0000D-01 * RXRAT( 56 ) ! PAN=0.4000D+00*RO2+0.6000D+...\n & + 5.0000D-01 * RXRAT( 57 ) ! C2O3+HO2=0.5000D+00*RO2+...\n & + 2.0000D+00 * RXRAT( 59 ) ! C2O3+C2O3=0.2000D+01*RO2+...\n & + 2.0000D+00 * RXRAT( 60 ) ! C2O3+CXO3=0.2000D+01*RO2+...\n & + RXRAT( 61 ) ! CXO3+NO=RO2+ALD2+XO2H+NO2\n & + 4.0000D-01 * RXRAT( 64 ) ! PANX=0.4000D+00*RO2+...\n & + 5.0000D-01 * RXRAT( 65 ) ! CXO3+HO2=0.5000D+00*RO2+...\n & + 2.0000D+00 * RXRAT( 67 ) ! CXO3+CXO3=0.2000D+01*RO2+...\n & + 9.0000D-01 * RXRAT( 73 ) ! MEO2+C2O3=0.9000D+00*RO2+...\n & + 8.0000D-01 * RXRAT( 77 ) ! XO2H+C2O3=0.8000D+00*RO2+...\n & + 8.0000D-01 * RXRAT( 81 ) ! XO2+C2O3=0.8000D+00*RO2+...\n & + 8.0000D-01 * RXRAT( 85 ) ! XO2N+C2O3=0.8000D+00*RO2+...\n & + 6.0000D-01 * RXRAT( 87 ) ! MEPX+OH=0.6000D+00*RO2+...\n & + RXRAT( 88 ) ! MEPX=RO2+MEO2+OH\n & + 6.0000D-01 * RXRAT( 89 ) ! ROOH+OH=0.6000D+00*RO2+...\n & + RXRAT( 94 ) ! AACD+OH=RO2+MEO2\n & + RXRAT( 108 ) ! ALD2=RO2+MEO2+CO+HO2\n & + RXRAT( 112 ) ! ALDX=RO2+XO2H+ALD2+CO+HO2\n & + 1.1000D-01 * RXRAT( 114 ) ! GLYD=0.1100D+00*RO2+...\n & + 2.0000D-01 * RXRAT( 116 ) ! GLY+OH=0.2000D+00*RO2+...\n & + 5.0000D-01 * RXRAT( 118 ) ! GLY+NO3=0.5000D+00*RO2+...\n & + RXRAT( 120 ) ! MGLY+NO3=RO2+C2O3+XO2+HNO3\n & + RXRAT( 124 ) ! OH=RO2+MEO2\n & + RXRAT( 125 ) ! ETHA+OH=RO2+0.9910D+...\n & + 1.0000D-01 * RXRAT( 127 ) ! ETOH+OH=0.1000D+00*RO2+...\n & + RXRAT( 128 ) ! KET=RO2+0.5000D+00*C2O3+...\n & + 1.3800D+00 * RXRAT( 129 ) ! ACET=0.1380D+01*RO2+...\n & + RXRAT( 130 ) ! ACET+OH=RO2+C2O3+XO2+FORM\n & + 9.8000D-01 * RXRAT( 133 ) ! ROR=0.9800D+00*RO2+0.4200D+...\n & + 7.0000D-01 * RXRAT( 137 ) ! ETH+O=0.7000D+00*RO2+HO2+...\n & + RXRAT( 138 ) ! ETH+OH=RO2+XO2H+0.1560D+...\n & + RXRAT( 140 ) ! ETH+NO3=RO2+0.5000D+...\n & + 2.1000D-01 * RXRAT( 141 ) ! OLE+O=0.2100D+00*RO2+...\n & + 1.1950D+00 * RXRAT( 142 ) ! OLE+OH=0.1195D+01*RO2+...\n & + 1.5000D-01 * RXRAT( 143 ) ! OLE+O3=0.1500D+00*RO2+...\n & + RXRAT( 144 ) ! OLE+NO3=RO2+0.5000D+...\n & + 1.0000D-01 * RXRAT( 145 ) ! IOLE+O=0.1000D+00*RO2+...\n & + RXRAT( 146 ) ! IOLE+OH=RO2+0.7000D+...\n & + 3.0000D-01 * RXRAT( 147 ) ! IOLE+O3=0.3000D+00*RO2+...\n & + RXRAT( 148 ) ! IOLE+NO3=RO2+0.5000D+...\n & + RXRAT( 149 ) ! ISOP+OH=RO2+ISO2+ISOPRXN\n & + 2.5000D-01 * RXRAT( 150 ) ! ISOP+O=0.2500D+00*RO2+...\n & + 8.2000D-02 * RXRAT( 151 ) ! ISO2+NO=0.8200D-01*RO2+...\n & + 8.7200D-01 * RXRAT( 153 ) ! ISO2+C2O3=0.8720D+00*RO2+...\n & + 7.2000D-02 * RXRAT( 154 ) ! ISO2+RO2=0.1072D+01*RO2+...\n & + 2.0000D-01 * RXRAT( 156 ) ! ISOP+O3=0.2000D+00*RO2+...\n & + RXRAT( 157 ) ! ISOP+NO3=RO2+0.6500D+...\n & + 6.5800D-01 * RXRAT( 158 ) ! ISPD+OH=0.6580D+00*RO2+...\n & + 2.8400D-01 * RXRAT( 160 ) ! ISPD+NO3=0.2840D+00*RO2+...\n & + 8.4000D-01 * RXRAT( 161 ) ! ISPD=0.8400D+00*RO2+...\n & + 6.7000D-02 * RXRAT( 162 ) ! ISPX+OH=0.6700D-01*RO2+...\n & + RXRAT( 165 ) ! EPOX+OH=RO2+EPX2\n & + 8.0000D-01 * RXRAT( 168 ) ! EPX2+C2O3=0.8000D+00*RO2+...\n & + RXRAT( 170 ) ! INTR+OH=RO2+0.3700D+...\n & + 1.5000D+00 * RXRAT( 172 ) ! TERP+OH=0.1500D+01*RO2+...\n & + 9.4000D-01 * RXRAT( 173 ) ! TERP+O3=0.9400D+00*RO2+...\n & + 1.2800D+00 * RXRAT( 174 ) ! TERP+NO3=0.1280D+01*RO2+...\n & + 1.5000D+00 * RXRAT( 176 ) ! APIN+OH=0.1500D+01*RO2+...\n & + 9.4000D-01 * RXRAT( 177 ) ! APIN+O3=0.9400D+00*RO2+...\n & + 1.2800D+00 * RXRAT( 178 ) ! APIN+NO3=0.1280D+01*RO2+...\n & + 3.5200D-01 * RXRAT( 179 ) ! BENZENE+OH=0.3520D+00*RO2+...\n & + RXRAT( 181 ) ! BZO2+C2O3=RO2+OPEN+HO2+...\n & + 7.2000D-01 * RXRAT( 184 ) ! TOL+OH=0.7200D+00*RO2+...\n & + RXRAT( 186 ) ! TO2+C2O3=RO2+0.5200D+...\n & + 6.0200D-01 * RXRAT( 189 ) ! XYLMN+OH=0.6020D+00*RO2+...\n & + 6.0200D-01 * RXRAT( 190 ) ! NAPH+OH=0.6020D+00*RO2+...\n & + RXRAT( 193 ) ! XLO2+C2O3=RO2+0.7700D+...\n & + 2.0000D-02 * RXRAT( 195 ) ! CRES+OH=0.2000D-01*RO2+...\n & + 7.0000D-01 * RXRAT( 196 ) ! CRES+NO3=0.7000D+00*RO2+...\n & + 2.0000D+00 * RXRAT( 203 ) ! XOPN+OH=0.2000D+01*RO2+...\n & + 3.0000D-01 * RXRAT( 204 ) ! XOPN+O3=0.3000D+00*RO2+...\n & + RXRAT( 205 ) ! XOPN+NO3=RO2+0.5000D+...\n & + 4.0000D-01 * RXRAT( 207 ) ! OPEN+OH=0.4000D+00*RO2+...\n & + 5.0000D-01 * RXRAT( 215 ) ! OPO3+HO2=0.5000D+00*RO2+...\n & + 2.0000D+00 * RXRAT( 216 ) ! OPO3+C2O3=0.2000D+01*RO2+...\n & + 8.0000D-01 * RXRAT( 217 ) ! OPO3+RO2=0.1800D+01*RO2+...\n & + RXRAT( 220 ) ! ECH4+OH=RO2+MEO2\n & + RXRAT( 221 ) ! XPRP=RO2+XO2N\n & + RXRAT( 222 ) ! XPRP=RO2+0.2680D+00*ALDX+...\n & + RXRAT( 223 ) ! XPAR=RO2+XO2N\n & + RXRAT( 224 ) ! XPAR=RO2+0.8740D+00*ROR+...\n & + RXRAT( 235 ) ! CL=RO2+MEO2+HCL\n & + RXRAT( 237 ) ! CL+PRPA=RO2+ACET+0.9700D+...\n & + RXRAT( 238 ) ! CL+ETHA=RO2+0.9910D+...\n & + RXRAT( 242 ) ! CL+ISOP=RO2+ISPD+0.9600D+...\n & + 7.2000D-01 * RXRAT( 249 ) ! CL+TOL=0.7200D+00*RO2+...\n & + 6.0200D-01 * RXRAT( 250 ) ! CL+XYLMN=0.6020D+00*RO2+...\n & + 6.0200D-01 * RXRAT( 251 ) ! CL+NAPH=0.6020D+00*RO2+...\n LOSS( RO2 ) = RXRAT( 58 ) ! RO2+C2O3=MEO2\n & + RXRAT( 66 ) ! RO2+CXO3=MEO2\n & + RXRAT( 68 ) ! RO2+NO=NO\n & + RXRAT( 69 ) ! RO2+HO2=HO2\n & + 2.0000D+00 * RXRAT( 70 ) ! RO2+RO2=\n\n PROD( PACD ) = 3.7000D-01 * RXRAT( 57 ) ! C2O3+HO2=0.3700D+00*PACD+...\n & + 3.7000D-01 * RXRAT( 65 ) ! CXO3+HO2=0.3700D+00*PACD+...\n & + 3.7000D-01 * RXRAT( 215 ) ! OPO3+HO2=0.3700D+00*PACD+...\n LOSS( PACD ) = RXRAT( 95 ) ! PACD+OH=C2O3\n\n PROD( AACD ) = 1.3000D-01 * RXRAT( 57 ) ! C2O3+HO2=0.1300D+00*AACD+...\n & + 1.3000D-01 * RXRAT( 65 ) ! CXO3+HO2=0.1300D+00*AACD+...\n & + 1.0000D-01 * RXRAT( 73 ) ! MEO2+C2O3=0.1000D+00*AACD+...\n & + 2.0000D-01 * RXRAT( 77 ) ! XO2H+C2O3=0.2000D+00*AACD+...\n & + 2.0000D-01 * RXRAT( 81 ) ! XO2+C2O3=0.2000D+00*AACD+...\n & + 2.0000D-01 * RXRAT( 85 ) ! XO2N+C2O3=0.2000D+00*AACD+...\n & + 1.3000D-01 * RXRAT( 143 ) ! OLE+O3=0.1300D+00*AACD+...\n & + 8.0000D-02 * RXRAT( 147 ) ! IOLE+O3=0.8000D-01*AACD+...\n & + 2.0000D-01 * RXRAT( 153 ) ! ISO2+C2O3=0.2000D+00*AACD+...\n & + 2.0000D-01 * RXRAT( 168 ) ! EPX2+C2O3=0.2000D+00*AACD+...\n & + 1.3000D-01 * RXRAT( 215 ) ! OPO3+HO2=0.1300D+00*AACD+...\n & + 2.0000D-01 * RXRAT( 217 ) ! OPO3+RO2=0.2000D+00*AACD+...\n LOSS( AACD ) = RXRAT( 94 ) ! AACD+OH=MEO2+RO2\n\n PROD( CXO3 ) = RXRAT( 63 ) ! PANX=CXO3+NO2\n & + 6.0000D-01 * RXRAT( 64 ) ! PANX=0.6000D+00*CXO3+...\n & + RXRAT( 109 ) ! ALDX+O=CXO3+OH\n & + RXRAT( 110 ) ! ALDX+OH=CXO3\n & + RXRAT( 111 ) ! ALDX+NO3=CXO3+HNO3\n & + 5.0000D-01 * RXRAT( 128 ) ! KET=0.5000D+00*CXO3+...\n & + 2.5000D-01 * RXRAT( 150 ) ! ISOP+O=0.2500D+00*CXO3+...\n & + 2.0000D-01 * RXRAT( 156 ) ! ISOP+O3=0.2000D+00*CXO3+...\n & + 7.1700D-01 * RXRAT( 160 ) ! ISPD+NO3=0.7170D+00*CXO3+...\n & + 3.9000D-01 * RXRAT( 173 ) ! TERP+O3=0.3900D+00*CXO3+...\n & + 3.9000D-01 * RXRAT( 177 ) ! APIN+O3=0.3900D+00*CXO3+...\n & + 2.0000D-01 * RXRAT( 212 ) ! OPO3+NO=0.2000D+00*CXO3+...\n & + RXRAT( 245 ) ! CL+ALDX=CXO3+HCL\n LOSS( CXO3 ) = RXRAT( 60 ) ! CXO3+C2O3=MEO2+ALD2+XO2H+...\n & + RXRAT( 61 ) ! CXO3+NO=NO2+ALD2+XO2H+RO2\n & + RXRAT( 62 ) ! CXO3+NO2=PANX\n & + RXRAT( 65 ) ! CXO3+HO2=0.3700D+00*PACD+...\n & + RXRAT( 66 ) ! CXO3+RO2=MEO2\n & + 2.0000D+00 * RXRAT( 67 ) ! CXO3+CXO3=0.2000D+01*MEO2+...\n\n PROD( ALD2 ) = RXRAT( 60 ) ! C2O3+CXO3=ALD2+MEO2+XO2H+...\n & + RXRAT( 61 ) ! CXO3+NO=ALD2+NO2+XO2H+RO2\n & + 4.0000D-01 * RXRAT( 64 ) ! PANX=0.4000D+00*ALD2+...\n & + RXRAT( 112 ) ! ALDX=ALD2+XO2H+RO2+CO+HO2\n & + 9.9100D-01 * RXRAT( 125 ) ! ETHA+OH=0.9910D+00*ALD2+...\n & + 9.5000D-01 * RXRAT( 127 ) ! ETOH+OH=0.9500D+00*ALD2+...\n & + 5.0000D-01 * RXRAT( 128 ) ! KET=0.5000D+00*ALD2+...\n & + 7.4000D-01 * RXRAT( 133 ) ! ROR=0.7400D+00*ALD2+...\n & + 2.0000D-01 * RXRAT( 141 ) ! OLE+O=0.2000D+00*ALD2+...\n & + 4.8800D-01 * RXRAT( 142 ) ! OLE+OH=0.4880D+00*ALD2+...\n & + 2.9500D-01 * RXRAT( 143 ) ! OLE+O3=0.2950D+00*ALD2+...\n & + 2.5000D-01 * RXRAT( 144 ) ! OLE+NO3=0.2500D+00*ALD2+...\n & + 1.2400D+00 * RXRAT( 145 ) ! IOLE+O=0.1240D+01*ALD2+...\n & + 1.3000D+00 * RXRAT( 146 ) ! IOLE+OH=0.1300D+01*ALD2+...\n & + 7.3200D-01 * RXRAT( 147 ) ! IOLE+O3=0.7320D+00*ALD2+...\n & + 5.0000D-01 * RXRAT( 148 ) ! IOLE+NO3=0.5000D+00*ALD2+...\n & + 4.0000D-02 * RXRAT( 159 ) ! ISPD+O3=0.4000D-01*ALD2+...\n & + 1.0000D-01 * RXRAT( 204 ) ! XOPN+O3=0.1000D+00*ALD2+...\n & + 2.0000D-02 * RXRAT( 208 ) ! OPEN+O3=0.2000D-01*ALD2+...\n & + RXRAT( 219 ) ! PANX+OH=ALD2+NO2\n & + 9.9100D-01 * RXRAT( 238 ) ! CL+ETHA=0.9910D+00*ALD2+...\n & + 3.3000D-01 * RXRAT( 240 ) ! CL+OLE=0.3300D+00*ALD2+...\n & + 4.5000D-01 * RXRAT( 241 ) ! CL+IOLE=0.4500D+00*ALD2+...\n & + RXRAT( 247 ) ! CL+ETOH=ALD2+HO2+HCL\n LOSS( ALD2 ) = RXRAT( 105 ) ! ALD2+O=C2O3+OH\n & + RXRAT( 106 ) ! ALD2+OH=C2O3\n & + RXRAT( 107 ) ! ALD2+NO3=C2O3+HNO3\n & + RXRAT( 108 ) ! ALD2=MEO2+RO2+CO+HO2\n & + RXRAT( 244 ) ! ALD2+CL=HCL+C2O3\n\n PROD( XO2H ) = RXRAT( 60 ) ! C2O3+CXO3=XO2H+ALD2+MEO2+...\n & + RXRAT( 61 ) ! CXO3+NO=XO2H+ALD2+NO2+RO2\n & + 4.0000D-01 * RXRAT( 64 ) ! PANX=0.4000D+00*XO2H+...\n & + 5.4000D-01 * RXRAT( 89 ) ! ROOH+OH=0.5400D+00*XO2H+...\n & + RXRAT( 112 ) ! ALDX=XO2H+ALD2+RO2+CO+HO2\n & + 1.1000D-01 * RXRAT( 114 ) ! GLYD=0.1100D+00*XO2H+...\n & + 9.9100D-01 * RXRAT( 125 ) ! ETHA+OH=0.9910D+00*XO2H+...\n & + 1.0000D-01 * RXRAT( 127 ) ! ETOH+OH=0.1000D+00*XO2H+...\n & + 5.0000D-01 * RXRAT( 128 ) ! KET=0.5000D+00*XO2H+...\n & + 9.4000D-01 * RXRAT( 133 ) ! ROR=0.9400D+00*XO2H+...\n & + 7.0000D-01 * RXRAT( 137 ) ! ETH+O=0.7000D+00*XO2H+HO2+...\n & + RXRAT( 138 ) ! ETH+OH=XO2H+RO2+0.1560D+...\n & + 5.0000D-01 * RXRAT( 140 ) ! ETH+NO3=0.5000D+00*XO2H+...\n & + 2.0000D-01 * RXRAT( 141 ) ! OLE+O=0.2000D+00*XO2H+...\n & + 9.7600D-01 * RXRAT( 142 ) ! OLE+OH=0.9760D+00*XO2H+...\n & + 1.5000D-01 * RXRAT( 143 ) ! OLE+O3=0.1500D+00*XO2H+...\n & + 4.8000D-01 * RXRAT( 144 ) ! OLE+NO3=0.4800D+00*XO2H+...\n & + 1.0000D-01 * RXRAT( 145 ) ! IOLE+O=0.1000D+00*XO2H+...\n & + RXRAT( 146 ) ! IOLE+OH=XO2H+0.7000D+...\n & + 3.0000D-01 * RXRAT( 147 ) ! IOLE+O3=0.3000D+00*XO2H+...\n & + 4.8000D-01 * RXRAT( 148 ) ! IOLE+NO3=0.4800D+00*XO2H+...\n & + 8.2000D-02 * RXRAT( 151 ) ! ISO2+NO=0.8200D-01*XO2H+...\n & + 7.2000D-02 * RXRAT( 153 ) ! ISO2+C2O3=0.7200D-01*XO2H+...\n & + 7.2000D-02 * RXRAT( 154 ) ! ISO2+RO2=0.7200D-01*XO2H+...\n & + 6.4000D-01 * RXRAT( 157 ) ! ISOP+NO3=0.6400D+00*XO2H+...\n & + 1.4200D-01 * RXRAT( 160 ) ! ISPD+NO3=0.1420D+00*XO2H+...\n & + 3.4000D-01 * RXRAT( 161 ) ! ISPD=0.3400D+00*XO2H+...\n & + 3.7000D-01 * RXRAT( 170 ) ! INTR+OH=0.3700D+00*XO2H+...\n & + 7.5000D-01 * RXRAT( 172 ) ! TERP+OH=0.7500D+00*XO2H+...\n & + 7.0000D-02 * RXRAT( 173 ) ! TERP+O3=0.7000D-01*XO2H+...\n & + 2.8000D-01 * RXRAT( 174 ) ! TERP+NO3=0.2800D+00*XO2H+...\n & + 7.5000D-01 * RXRAT( 176 ) ! APIN+OH=0.7500D+00*XO2H+...\n & + 7.0000D-02 * RXRAT( 177 ) ! APIN+O3=0.7000D-01*XO2H+...\n & + 2.8000D-01 * RXRAT( 178 ) ! APIN+NO3=0.2800D+00*XO2H+...\n & + 7.0000D-02 * RXRAT( 184 ) ! TOL+OH=0.7000D-01*XO2H+...\n & + 5.8000D-02 * RXRAT( 189 ) ! XYLMN+OH=0.5800D-01*XO2H+...\n & + 5.8000D-02 * RXRAT( 190 ) ! NAPH+OH=0.5800D-01*XO2H+...\n & + 1.2000D-01 * RXRAT( 196 ) ! CRES+NO3=0.1200D+00*XO2H+...\n & + RXRAT( 202 ) ! XOPN=XO2H+0.4000D+00*GLY+...\n & + 2.0000D+00 * RXRAT( 203 ) ! XOPN+OH=0.2000D+01*XO2H+...\n & + 3.0000D-01 * RXRAT( 204 ) ! XOPN+O3=0.3000D+00*XO2H+...\n & + 4.5000D-01 * RXRAT( 205 ) ! XOPN+NO3=0.4500D+00*XO2H+...\n & + 4.0000D-01 * RXRAT( 207 ) ! OPEN+OH=0.4000D+00*XO2H+...\n & + 8.0000D-01 * RXRAT( 217 ) ! OPO3+RO2=0.8000D+00*XO2H+...\n & + RXRAT( 222 ) ! XPRP=XO2H+0.2680D+00*ALDX+...\n & + 1.2600D-01 * RXRAT( 224 ) ! XPAR=0.1260D+00*XO2H+...\n & + 9.7000D-01 * RXRAT( 237 ) ! CL+PRPA=0.9700D+00*XO2H+...\n & + 9.9100D-01 * RXRAT( 238 ) ! CL+ETHA=0.9910D+00*XO2H+...\n & + 9.6000D-01 * RXRAT( 242 ) ! CL+ISOP=0.9600D+00*XO2H+...\n & + 7.0000D-02 * RXRAT( 249 ) ! CL+TOL=0.7000D-01*XO2H+...\n & + 5.8000D-02 * RXRAT( 250 ) ! CL+XYLMN=0.5800D-01*XO2H+...\n & + 5.8000D-02 * RXRAT( 251 ) ! CL+NAPH=0.5800D-01*XO2H+...\n LOSS( XO2H ) = RXRAT( 75 ) ! XO2H+NO=NO2+HO2\n & + RXRAT( 76 ) ! XO2H+HO2=ROOH\n & + RXRAT( 77 ) ! XO2H+C2O3=0.8000D+00*HO2+...\n & + RXRAT( 78 ) ! XO2H+RO2=0.6000D+00*HO2+RO2\n\n PROD( PANX ) = RXRAT( 62 ) ! CXO3+NO2=PANX\n LOSS( PANX ) = RXRAT( 63 ) ! PANX=NO2+CXO3\n & + RXRAT( 64 ) ! PANX=0.6000D+00*NO2+...\n & + RXRAT( 219 ) ! PANX+OH=ALD2+NO2\n\n PROD( FORM ) = RXRAT( 71 ) ! MEO2+NO=FORM+HO2+NO2\n & + 1.0000D-01 * RXRAT( 72 ) ! MEO2+HO2=0.1000D+00*FORM+...\n & + RXRAT( 73 ) ! MEO2+C2O3=FORM+0.9000D+...\n & + 6.8500D-01 * RXRAT( 74 ) ! MEO2+RO2=0.6850D+00*FORM+...\n & + 4.0000D-01 * RXRAT( 87 ) ! MEPX+OH=0.4000D+00*FORM+...\n & + RXRAT( 102 ) ! HCO3=FORM+HO2\n & + 7.4000D-01 * RXRAT( 114 ) ! GLYD=0.7400D+00*FORM+...\n & + RXRAT( 126 ) ! MEOH+OH=FORM+HO2\n & + 7.8000D-02 * RXRAT( 127 ) ! ETOH+OH=0.7800D-01*FORM+...\n & + RXRAT( 130 ) ! ACET+OH=FORM+C2O3+XO2+RO2\n & + RXRAT( 137 ) ! ETH+O=FORM+HO2+CO+0.7000D+...\n & + 1.5600D+00 * RXRAT( 138 ) ! ETH+OH=0.1560D+01*FORM+RO2+...\n & + RXRAT( 139 ) ! ETH+O3=FORM+0.3500D+00*CO+...\n & + 1.1250D+00 * RXRAT( 140 ) ! ETH+NO3=0.1125D+01*FORM+...\n & + 2.0000D-01 * RXRAT( 141 ) ! OLE+O=0.2000D+00*FORM+...\n & + 7.8100D-01 * RXRAT( 142 ) ! OLE+OH=0.7810D+00*FORM+...\n & + 5.5500D-01 * RXRAT( 143 ) ! OLE+O3=0.5550D+00*FORM+...\n & + 5.0000D-01 * RXRAT( 144 ) ! OLE+NO3=0.5000D+00*FORM+...\n & + 1.2800D-01 * RXRAT( 147 ) ! IOLE+O3=0.1280D+00*FORM+...\n & + 5.0000D-01 * RXRAT( 150 ) ! ISOP+O=0.5000D+00*FORM+...\n & + 6.7300D-01 * RXRAT( 151 ) ! ISO2+NO=0.6730D+00*FORM+...\n & + 1.2000D-01 * RXRAT( 152 ) ! ISO2+HO2=0.1200D+00*FORM+...\n & + 5.9800D-01 * RXRAT( 153 ) ! ISO2+C2O3=0.5980D+00*FORM+...\n & + 5.9800D-01 * RXRAT( 154 ) ! ISO2+RO2=0.5980D+00*FORM+...\n & + 6.0000D-01 * RXRAT( 156 ) ! ISOP+O3=0.6000D+00*FORM+...\n & + 3.5000D-01 * RXRAT( 157 ) ! ISOP+NO3=0.3500D+00*FORM+...\n & + 2.3100D-01 * RXRAT( 159 ) ! ISPD+O3=0.2310D+00*FORM+...\n & + 2.6000D-01 * RXRAT( 161 ) ! ISPD=0.2600D+00*FORM+...\n & + 3.7500D-01 * RXRAT( 166 ) ! EPX2+HO2=0.3750D+00*FORM+...\n & + 3.7500D-01 * RXRAT( 167 ) ! EPX2+NO=0.3750D+00*FORM+...\n & + 3.0000D-01 * RXRAT( 168 ) ! EPX2+C2O3=0.3000D+00*FORM+...\n & + 3.7500D-01 * RXRAT( 169 ) ! EPX2+RO2=0.3750D+00*FORM+...\n & + 5.9200D-01 * RXRAT( 170 ) ! INTR+OH=0.5920D+00*FORM+...\n & + 2.8000D-01 * RXRAT( 172 ) ! TERP+OH=0.2800D+00*FORM+...\n & + 2.4000D-01 * RXRAT( 173 ) ! TERP+O3=0.2400D+00*FORM+...\n & + 2.8000D-01 * RXRAT( 176 ) ! APIN+OH=0.2800D+00*FORM+...\n & + 2.4000D-01 * RXRAT( 177 ) ! APIN+O3=0.2400D+00*FORM+...\n & + RXRAT( 201 ) ! CRON=FORM+HO2+HONO+OPEN\n & + 8.0000D-02 * RXRAT( 208 ) ! OPEN+O3=0.8000D-01*FORM+...\n & + 1.4000D-01 * RXRAT( 210 ) ! CAT1+OH=0.1400D+00*FORM+...\n & + RXRAT( 232 ) ! CLO+MEO2=FORM+CL+HO2\n & + RXRAT( 239 ) ! CL+ETH=FORM+0.2000D+01*XO2+...\n & + RXRAT( 246 ) ! CL+MEOH=FORM+HO2+HCL\n & + RXRAT( 346 ) ! DMS+OH=FORM+MEO2+SO2\n & + RXRAT( 348 ) ! DMS+NO3=FORM+HNO3+MEO2+SO2\n & + 4.5000D-01 * RXRAT( 349 ) ! DMS+CL=0.4500D+00*FORM+...\n LOSS( FORM ) = RXRAT( 96 ) ! FORM+OH=HO2+CO\n & + RXRAT( 97 ) ! FORM=0.2000D+01*HO2+CO\n & + RXRAT( 98 ) ! FORM=CO\n & + RXRAT( 99 ) ! FORM+O=OH+HO2+CO\n & + RXRAT( 100 ) ! FORM+NO3=HNO3+HO2+CO\n & + RXRAT( 101 ) ! FORM+HO2=HCO3\n & + RXRAT( 243 ) ! FORM+CL=HCL+HO2+CO\n\n PROD( MEPX ) = 9.0000D-01 * RXRAT( 72 ) ! MEO2+HO2=0.9000D+00*MEPX+...\n & + 5.0000D-01 * RXRAT( 104 ) ! HCO3+HO2=0.5000D+00*MEPX+...\n LOSS( MEPX ) = RXRAT( 87 ) ! MEPX+OH=0.6000D+00*MEO2+...\n & + RXRAT( 88 ) ! MEPX=MEO2+RO2+OH\n\n PROD( MEOH ) = 3.1500D-01 * RXRAT( 74 ) ! MEO2+RO2=0.3150D+00*MEOH+...\n & + 1.5000D-01 * RXRAT( 114 ) ! GLYD=0.1500D+00*MEOH+...\n LOSS( MEOH ) = RXRAT( 126 ) ! MEOH+OH=FORM+HO2\n & + RXRAT( 246 ) ! MEOH+CL=HCL+HO2+FORM\n\n PROD( ROOH ) = RXRAT( 76 ) ! XO2H+HO2=ROOH\n & + RXRAT( 80 ) ! XO2+HO2=ROOH\n & + RXRAT( 84 ) ! XO2N+HO2=ROOH\n LOSS( ROOH ) = RXRAT( 89 ) ! ROOH+OH=0.5400D+00*XO2H+...\n & + RXRAT( 90 ) ! ROOH=HO2+OH\n\n PROD( XO2 ) = 2.0000D-01 * RXRAT( 116 ) ! GLY+OH=0.2000D+00*XO2+...\n & + 5.0000D-01 * RXRAT( 118 ) ! GLY+NO3=0.5000D+00*XO2+...\n & + RXRAT( 120 ) ! MGLY+NO3=XO2+C2O3+HNO3+RO2\n & + RXRAT( 130 ) ! ACET+OH=XO2+C2O3+FORM+RO2\n & + 5.0000D-01 * RXRAT( 140 ) ! ETH+NO3=0.5000D+00*XO2+...\n & + 1.9500D-01 * RXRAT( 142 ) ! OLE+OH=0.1950D+00*XO2+...\n & + 4.8000D-01 * RXRAT( 144 ) ! OLE+NO3=0.4800D+00*XO2+...\n & + 4.8000D-01 * RXRAT( 148 ) ! IOLE+NO3=0.4800D+00*XO2+...\n & + 2.5000D-01 * RXRAT( 150 ) ! ISOP+O=0.2500D+00*XO2+...\n & + 2.0000D-01 * RXRAT( 156 ) ! ISOP+O3=0.2000D+00*XO2+...\n & + 3.3000D-01 * RXRAT( 157 ) ! ISOP+NO3=0.3300D+00*XO2+...\n & + 5.2100D-01 * RXRAT( 158 ) ! ISPD+OH=0.5210D+00*XO2+...\n & + 1.4200D-01 * RXRAT( 160 ) ! ISPD+NO3=0.1420D+00*XO2+...\n & + 1.6000D-01 * RXRAT( 161 ) ! ISPD=0.1600D+00*XO2+...\n & + 6.3000D-01 * RXRAT( 170 ) ! INTR+OH=0.6300D+00*XO2+...\n & + 5.0000D-01 * RXRAT( 172 ) ! TERP+OH=0.5000D+00*XO2+...\n & + 6.9000D-01 * RXRAT( 173 ) ! TERP+O3=0.6900D+00*XO2+...\n & + 7.5000D-01 * RXRAT( 174 ) ! TERP+NO3=0.7500D+00*XO2+...\n & + 5.0000D-01 * RXRAT( 176 ) ! APIN+OH=0.5000D+00*XO2+...\n & + 6.9000D-01 * RXRAT( 177 ) ! APIN+O3=0.6900D+00*XO2+...\n & + 7.5000D-01 * RXRAT( 178 ) ! APIN+NO3=0.7500D+00*XO2+...\n & + 4.8000D-01 * RXRAT( 196 ) ! CRES+NO3=0.4800D+00*XO2+...\n & + 4.5000D-01 * RXRAT( 205 ) ! XOPN+NO3=0.4500D+00*XO2+...\n & + RXRAT( 216 ) ! OPO3+C2O3=XO2+MEO2+ALDX+...\n & + 8.7400D-01 * RXRAT( 224 ) ! XPAR=0.8740D+00*XO2+...\n & + 2.0000D+00 * RXRAT( 239 ) ! CL+ETH=0.2000D+01*XO2+FMCL+...\n & + 2.0000D+00 * RXRAT( 240 ) ! CL+OLE=0.2000D+01*XO2+...\n & + 1.7000D+00 * RXRAT( 241 ) ! CL+IOLE=0.1700D+01*XO2+...\n LOSS( XO2 ) = RXRAT( 79 ) ! XO2+NO=NO2\n & + RXRAT( 80 ) ! XO2+HO2=ROOH\n & + RXRAT( 81 ) ! XO2+C2O3=0.8000D+00*MEO2+...\n & + RXRAT( 82 ) ! XO2+RO2=RO2\n\n PROD( XO2N ) = 6.0000D-02 * RXRAT( 89 ) ! ROOH+OH=0.6000D-01*XO2N+...\n & + 9.0000D-03 * RXRAT( 125 ) ! ETHA+OH=0.9000D-02*XO2N+...\n & + 4.0000D-02 * RXRAT( 133 ) ! ROR=0.4000D-01*XO2N+...\n & + 1.0000D-02 * RXRAT( 141 ) ! OLE+O=0.1000D-01*XO2N+...\n & + 2.4000D-02 * RXRAT( 142 ) ! OLE+OH=0.2400D-01*XO2N+...\n & + 4.0000D-02 * RXRAT( 144 ) ! OLE+NO3=0.4000D-01*XO2N+...\n & + 4.0000D-02 * RXRAT( 148 ) ! IOLE+NO3=0.4000D-01*XO2N+...\n & + 3.0000D-02 * RXRAT( 157 ) ! ISOP+NO3=0.3000D-01*XO2N+...\n & + 2.2000D-02 * RXRAT( 158 ) ! ISPD+OH=0.2200D-01*XO2N+...\n & + 2.5000D-01 * RXRAT( 172 ) ! TERP+OH=0.2500D+00*XO2N+...\n & + 1.8000D-01 * RXRAT( 173 ) ! TERP+O3=0.1800D+00*XO2N+...\n & + 2.5000D-01 * RXRAT( 174 ) ! TERP+NO3=0.2500D+00*XO2N+...\n & + 2.5000D-01 * RXRAT( 176 ) ! APIN+OH=0.2500D+00*XO2N+...\n & + 1.8000D-01 * RXRAT( 177 ) ! APIN+O3=0.1800D+00*XO2N+...\n & + 2.5000D-01 * RXRAT( 178 ) ! APIN+NO3=0.2500D+00*XO2N+...\n & + 2.0000D-02 * RXRAT( 195 ) ! CRES+OH=0.2000D-01*XO2N+...\n & + 1.0000D-01 * RXRAT( 196 ) ! CRES+NO3=0.1000D+00*XO2N+...\n & + 1.0000D-01 * RXRAT( 205 ) ! XOPN+NO3=0.1000D+00*XO2N+...\n & + RXRAT( 221 ) ! XPRP=XO2N+RO2\n & + RXRAT( 223 ) ! XPAR=XO2N+RO2\n & + 3.0000D-02 * RXRAT( 237 ) ! CL+PRPA=0.3000D-01*XO2N+...\n & + 9.0000D-03 * RXRAT( 238 ) ! CL+ETHA=0.9000D-02*XO2N+...\n & + 4.0000D-02 * RXRAT( 242 ) ! CL+ISOP=0.4000D-01*XO2N+...\n LOSS( XO2N ) = RXRAT( 83 ) ! XO2N+NO=0.5000D+00*NTR1+...\n & + RXRAT( 84 ) ! XO2N+HO2=ROOH\n & + RXRAT( 85 ) ! XO2N+C2O3=0.8000D+00*HO2+...\n & + RXRAT( 86 ) ! XO2N+RO2=RO2\n\n PROD( NTR1 ) = 5.0000D-01 * RXRAT( 83 ) ! XO2N+NO=0.5000D+00*NTR1+...\n & + RXRAT( 135 ) ! ROR+NO2=NTR1\n & + 5.0000D-01 * RXRAT( 140 ) ! ETH+NO3=0.5000D+00*NTR1+...\n & + 5.0000D-01 * RXRAT( 144 ) ! OLE+NO3=0.5000D+00*NTR1+...\n & + 5.0000D-01 * RXRAT( 148 ) ! IOLE+NO3=0.5000D+00*NTR1+...\n LOSS( NTR1 ) = RXRAT( 91 ) ! NTR1+OH=NTR2\n & + RXRAT( 92 ) ! NTR1=NO2\n\n PROD( NTR2 ) = 5.0000D-01 * RXRAT( 83 ) ! XO2N+NO=0.5000D+00*NTR2+...\n & + RXRAT( 91 ) ! NTR1+OH=NTR2\n & + 6.5000D-01 * RXRAT( 157 ) ! ISOP+NO3=0.6500D+00*NTR2+...\n & + 1.4200D-01 * RXRAT( 160 ) ! ISPD+NO3=0.1420D+00*NTR2+...\n & + 2.6600D-01 * RXRAT( 170 ) ! INTR+OH=0.2660D+00*NTR2+...\n & + 5.3000D-01 * RXRAT( 174 ) ! TERP+NO3=0.5300D+00*NTR2+...\n & + 5.3000D-01 * RXRAT( 178 ) ! APIN+NO3=0.5300D+00*NTR2+...\n & + 8.2000D-02 * RXRAT( 180 ) ! BZO2+NO=0.8200D-01*NTR2+...\n & + 1.4000D-01 * RXRAT( 185 ) ! TO2+NO=0.1400D+00*NTR2+...\n & + 1.4000D-01 * RXRAT( 191 ) ! XLO2+NO=0.1400D+00*NTR2+...\n & + RXRAT( 199 ) ! CRON+OH=NTR2+0.5000D+00*CRO\n & + RXRAT( 200 ) ! CRON+NO3=NTR2+0.5000D+...\n & + 5.0000D-01 * RXRAT( 205 ) ! XOPN+NO3=0.5000D+00*NTR2+...\n & + 5.0000D-01 * RXRAT( 218 ) ! OPAN+OH=0.5000D+00*NTR2+...\n LOSS( NTR2 ) = RXRAT( 270 ) ! NTR2=HNO3\n\n PROD( FACD ) = RXRAT( 103 ) ! HCO3+NO=FACD+NO2+HO2\n & + 5.0000D-01 * RXRAT( 104 ) ! HCO3+HO2=0.5000D+00*FACD+...\n & + 3.0000D-01 * RXRAT( 136 ) ! ETHY+OH=0.3000D+00*FACD+...\n & + 4.2000D-01 * RXRAT( 139 ) ! ETH+O3=0.4200D+00*FACD+...\n & + 9.0000D-02 * RXRAT( 143 ) ! OLE+O3=0.9000D-01*FACD+...\n & + 1.5000D-01 * RXRAT( 159 ) ! ISPD+O3=0.1500D+00*FACD+...\n & + 7.4000D-02 * RXRAT( 166 ) ! EPX2+HO2=0.7400D-01*FACD+...\n & + 1.8500D-01 * RXRAT( 170 ) ! INTR+OH=0.1850D+00*FACD+...\n LOSS( FACD ) = RXRAT( 93 ) ! FACD+OH=HO2\n\n PROD( CO ) = RXRAT( 96 ) ! FORM+OH=CO+HO2\n & + RXRAT( 97 ) ! FORM=CO+0.2000D+01*HO2\n & + RXRAT( 98 ) ! FORM=CO\n & + RXRAT( 99 ) ! FORM+O=CO+HO2+OH\n & + RXRAT( 100 ) ! FORM+NO3=CO+HO2+HNO3\n & + RXRAT( 108 ) ! ALD2=CO+RO2+MEO2+HO2\n & + RXRAT( 112 ) ! ALDX=CO+XO2H+RO2+ALD2+HO2\n & + 8.9000D-01 * RXRAT( 114 ) ! GLYD=0.8900D+00*CO+0.7400D+...\n & + 1.8000D+00 * RXRAT( 116 ) ! GLY+OH=0.1800D+01*CO+...\n & + 2.0000D+00 * RXRAT( 117 ) ! GLY=0.2000D+01*CO+0.2000D+...\n & + 1.5000D+00 * RXRAT( 118 ) ! GLY+NO3=0.1500D+01*CO+HNO3+...\n & + RXRAT( 119 ) ! MGLY=CO+HO2+C2O3\n & + RXRAT( 121 ) ! MGLY+OH=CO+C2O3\n & + 3.8000D-01 * RXRAT( 129 ) ! ACET=0.3800D+00*CO+0.1380D+...\n & + 3.0000D-01 * RXRAT( 136 ) ! ETHY+OH=0.3000D+00*CO+...\n & + RXRAT( 137 ) ! ETH+O=CO+HO2+FORM+0.7000D+...\n & + 3.5000D-01 * RXRAT( 139 ) ! ETH+O3=0.3500D+00*CO+FORM+...\n & + 2.0000D-01 * RXRAT( 141 ) ! OLE+O=0.2000D+00*CO+...\n & + 3.7800D-01 * RXRAT( 143 ) ! OLE+O3=0.3780D+00*CO+...\n & + 1.0000D-01 * RXRAT( 145 ) ! IOLE+O=0.1000D+00*CO+...\n & + 2.4500D-01 * RXRAT( 147 ) ! IOLE+O3=0.2450D+00*CO+...\n & + 6.6000D-02 * RXRAT( 156 ) ! ISOP+O3=0.6600D-01*CO+...\n & + 1.3700D-01 * RXRAT( 158 ) ! ISPD+OH=0.1370D+00*CO+...\n & + 5.4300D-01 * RXRAT( 159 ) ! ISPD+O3=0.5430D+00*CO+...\n & + 2.5100D-01 * RXRAT( 166 ) ! EPX2+HO2=0.2510D+00*CO+...\n & + 2.5100D-01 * RXRAT( 167 ) ! EPX2+NO=0.2510D+00*CO+...\n & + 2.0000D-01 * RXRAT( 168 ) ! EPX2+C2O3=0.2000D+00*CO+...\n & + 2.5100D-01 * RXRAT( 169 ) ! EPX2+RO2=0.2510D+00*CO+...\n & + 1.0000D-03 * RXRAT( 173 ) ! TERP+O3=0.1000D-02*CO+...\n & + 1.0000D-03 * RXRAT( 177 ) ! APIN+O3=0.1000D-02*CO+...\n & + 7.0000D-01 * RXRAT( 202 ) ! XOPN=0.7000D+00*CO+XO2H+...\n & + 5.0000D-01 * RXRAT( 204 ) ! XOPN+O3=0.5000D+00*CO+...\n & + RXRAT( 206 ) ! OPEN=CO+HO2+OPO3\n & + 1.9800D+00 * RXRAT( 208 ) ! OPEN+O3=0.1980D+01*CO+...\n & + 5.0000D-01 * RXRAT( 212 ) ! OPO3+NO=0.5000D+00*CO+...\n & + RXRAT( 218 ) ! OPAN+OH=CO+0.5000D+00*GLY+...\n & + RXRAT( 233 ) ! OH+FMCL=CO+CL\n & + RXRAT( 234 ) ! FMCL=CO+CL+HO2\n & + RXRAT( 243 ) ! CL+FORM=CO+HO2+HCL\n LOSS( CO ) = RXRAT( 123 ) ! CO+OH=HO2\n\n PROD( HCO3 ) = RXRAT( 101 ) ! FORM+HO2=HCO3\n LOSS( HCO3 ) = RXRAT( 102 ) ! HCO3=FORM+HO2\n & + RXRAT( 103 ) ! HCO3+NO=FACD+NO2+HO2\n & + RXRAT( 104 ) ! HCO3+HO2=0.5000D+00*MEPX+...\n\n PROD( ALDX ) = 3.7000D-01 * RXRAT( 133 ) ! ROR=0.3700D+00*ALDX+...\n & + 3.0000D-01 * RXRAT( 141 ) ! OLE+O=0.3000D+00*ALDX+...\n & + 4.8800D-01 * RXRAT( 142 ) ! OLE+OH=0.4880D+00*ALDX+...\n & + 2.7000D-01 * RXRAT( 143 ) ! OLE+O3=0.2700D+00*ALDX+...\n & + 3.7500D-01 * RXRAT( 144 ) ! OLE+NO3=0.3750D+00*ALDX+...\n & + 6.6000D-01 * RXRAT( 145 ) ! IOLE+O=0.6600D+00*ALDX+...\n & + 7.0000D-01 * RXRAT( 146 ) ! IOLE+OH=0.7000D+00*ALDX+...\n & + 4.4200D-01 * RXRAT( 147 ) ! IOLE+O3=0.4420D+00*ALDX+...\n & + 6.2500D-01 * RXRAT( 148 ) ! IOLE+NO3=0.6250D+00*ALDX+...\n & + 1.5000D-01 * RXRAT( 156 ) ! ISOP+O3=0.1500D+00*ALDX+...\n & + 2.9000D-02 * RXRAT( 162 ) ! ISPX+OH=0.2900D-01*ALDX+...\n & + 7.8000D-02 * RXRAT( 170 ) ! INTR+OH=0.7800D-01*ALDX+...\n & + 1.5000D-01 * RXRAT( 171 ) ! TERP+O=0.1500D+00*ALDX+...\n & + 4.7000D-01 * RXRAT( 172 ) ! TERP+OH=0.4700D+00*ALDX+...\n & + 2.1000D-01 * RXRAT( 173 ) ! TERP+O3=0.2100D+00*ALDX+...\n & + 4.7000D-01 * RXRAT( 174 ) ! TERP+NO3=0.4700D+00*ALDX+...\n & + 1.5000D-01 * RXRAT( 175 ) ! APIN+O=0.1500D+00*ALDX+...\n & + 4.7000D-01 * RXRAT( 176 ) ! APIN+OH=0.4700D+00*ALDX+...\n & + 2.1000D-01 * RXRAT( 177 ) ! APIN+O3=0.2100D+00*ALDX+...\n & + 4.7000D-01 * RXRAT( 178 ) ! APIN+NO3=0.4700D+00*ALDX+...\n & + RXRAT( 216 ) ! OPO3+C2O3=ALDX+XO2+MEO2+...\n & + 8.0000D-01 * RXRAT( 217 ) ! OPO3+RO2=0.8000D+00*ALDX+...\n & + 2.6800D-01 * RXRAT( 222 ) ! XPRP=0.2680D+00*ALDX+...\n & + 1.2600D-01 * RXRAT( 224 ) ! XPAR=0.1260D+00*ALDX+...\n & + 6.7000D-01 * RXRAT( 240 ) ! CL+OLE=0.6700D+00*ALDX+...\n & + 5.5000D-01 * RXRAT( 241 ) ! CL+IOLE=0.5500D+00*ALDX+...\n LOSS( ALDX ) = RXRAT( 109 ) ! ALDX+O=CXO3+OH\n & + RXRAT( 110 ) ! ALDX+OH=CXO3\n & + RXRAT( 111 ) ! ALDX+NO3=CXO3+HNO3\n & + RXRAT( 112 ) ! ALDX=ALD2+XO2H+RO2+CO+HO2\n & + RXRAT( 245 ) ! ALDX+CL=HCL+CXO3\n\n PROD( GLYD ) = 1.1000D-02 * RXRAT( 127 ) ! ETOH+OH=0.1100D-01*GLYD+...\n & + 2.2000D-01 * RXRAT( 138 ) ! ETH+OH=0.2200D+00*GLYD+RO2+...\n & + 2.6900D-01 * RXRAT( 158 ) ! ISPD+OH=0.2690D+00*GLYD+...\n & + 1.1300D-01 * RXRAT( 160 ) ! ISPD+NO3=0.1130D+00*GLYD+...\n & + 1.2800D-01 * RXRAT( 161 ) ! ISPD=0.1280D+00*GLYD+...\n & + 2.7500D-01 * RXRAT( 166 ) ! EPX2+HO2=0.2750D+00*GLYD+...\n & + 2.7500D-01 * RXRAT( 167 ) ! EPX2+NO=0.2750D+00*GLYD+...\n & + 2.2000D-01 * RXRAT( 168 ) ! EPX2+C2O3=0.2200D+00*GLYD+...\n & + 2.7500D-01 * RXRAT( 169 ) ! EPX2+RO2=0.2750D+00*GLYD+...\n & + 3.3100D-01 * RXRAT( 170 ) ! INTR+OH=0.3310D+00*GLYD+...\n LOSS( GLYD ) = RXRAT( 113 ) ! GLYD+OH=0.2000D+00*GLY+...\n & + RXRAT( 114 ) ! GLYD=0.7400D+00*FORM+...\n & + RXRAT( 115 ) ! GLYD+NO3=HNO3+C2O3\n\n PROD( GLY ) = 2.0000D-01 * RXRAT( 113 ) ! GLYD+OH=0.2000D+00*GLY+...\n & + 1.1000D-01 * RXRAT( 114 ) ! GLYD=0.1100D+00*GLY+...\n & + 7.0000D-01 * RXRAT( 136 ) ! ETHY+OH=0.7000D+00*GLY+...\n & + 7.5000D-02 * RXRAT( 143 ) ! OLE+O3=0.7500D-01*GLY+...\n & + 2.4000D-01 * RXRAT( 147 ) ! IOLE+O3=0.2400D+00*GLY+...\n & + 1.7000D-01 * RXRAT( 159 ) ! ISPD+O3=0.1700D+00*GLY+...\n & + 2.7500D-01 * RXRAT( 166 ) ! EPX2+HO2=0.2750D+00*GLY+...\n & + 2.7500D-01 * RXRAT( 167 ) ! EPX2+NO=0.2750D+00*GLY+...\n & + 2.2000D-01 * RXRAT( 168 ) ! EPX2+C2O3=0.2200D+00*GLY+...\n & + 2.7500D-01 * RXRAT( 169 ) ! EPX2+RO2=0.2750D+00*GLY+...\n & + 9.1800D-01 * RXRAT( 180 ) ! BZO2+NO=0.9180D+00*GLY+...\n & + RXRAT( 181 ) ! BZO2+C2O3=GLY+OPEN+HO2+...\n & + RXRAT( 183 ) ! BZO2+RO2=GLY+OPEN+HO2+RO2\n & + 4.1700D-01 * RXRAT( 185 ) ! TO2+NO=0.4170D+00*GLY+...\n & + 4.8000D-01 * RXRAT( 186 ) ! TO2+C2O3=0.4800D+00*GLY+...\n & + 4.8000D-01 * RXRAT( 188 ) ! TO2+RO2=0.4800D+00*GLY+...\n & + 2.2100D-01 * RXRAT( 191 ) ! XLO2+NO=0.2210D+00*GLY+...\n & + 2.6000D-01 * RXRAT( 193 ) ! XLO2+C2O3=0.2600D+00*GLY+...\n & + 2.6000D-01 * RXRAT( 194 ) ! XLO2+RO2=0.2600D+00*GLY+...\n & + 2.5000D-02 * RXRAT( 195 ) ! CRES+OH=0.2500D-01*GLY+...\n & + 2.4000D-01 * RXRAT( 196 ) ! CRES+NO3=0.2400D+00*GLY+...\n & + 4.0000D-01 * RXRAT( 202 ) ! XOPN=0.4000D+00*GLY+XO2H+...\n & + 4.0000D-01 * RXRAT( 203 ) ! XOPN+OH=0.4000D+00*GLY+...\n & + 4.0000D-01 * RXRAT( 207 ) ! OPEN+OH=0.4000D+00*GLY+...\n & + 1.4000D+00 * RXRAT( 208 ) ! OPEN+O3=0.1400D+01*GLY+...\n & + 5.0000D-01 * RXRAT( 212 ) ! OPO3+NO=0.5000D+00*GLY+NO2+...\n & + 5.0000D-01 * RXRAT( 218 ) ! OPAN+OH=0.5000D+00*GLY+...\n LOSS( GLY ) = RXRAT( 116 ) ! GLY+OH=0.1800D+01*CO+...\n & + RXRAT( 117 ) ! GLY=0.2000D+01*HO2+0.2000D+...\n & + RXRAT( 118 ) ! GLY+NO3=HNO3+0.1500D+01*CO+...\n & + RXRAT( 283 ) ! GLY=AGLYJ\n\n PROD( MGLY ) = 7.5000D-02 * RXRAT( 143 ) ! OLE+O3=0.7500D-01*MGLY+...\n & + 6.0000D-02 * RXRAT( 147 ) ! IOLE+O3=0.6000D-01*MGLY+...\n & + 1.1500D-01 * RXRAT( 158 ) ! ISPD+OH=0.1150D+00*MGLY+...\n & + 5.3100D-01 * RXRAT( 159 ) ! ISPD+O3=0.5310D+00*MGLY+...\n & + 1.1300D-01 * RXRAT( 160 ) ! ISPD+NO3=0.1130D+00*MGLY+...\n & + 2.7500D-01 * RXRAT( 166 ) ! EPX2+HO2=0.2750D+00*MGLY+...\n & + 2.7500D-01 * RXRAT( 167 ) ! EPX2+NO=0.2750D+00*MGLY+...\n & + 2.2000D-01 * RXRAT( 168 ) ! EPX2+C2O3=0.2200D+00*MGLY+...\n & + 2.7500D-01 * RXRAT( 169 ) ! EPX2+RO2=0.2750D+00*MGLY+...\n & + 4.4300D-01 * RXRAT( 185 ) ! TO2+NO=0.4430D+00*MGLY+...\n & + 5.2000D-01 * RXRAT( 186 ) ! TO2+C2O3=0.5200D+00*MGLY+...\n & + 5.2000D-01 * RXRAT( 188 ) ! TO2+RO2=0.5200D+00*MGLY+...\n & + 6.7500D-01 * RXRAT( 191 ) ! XLO2+NO=0.6750D+00*MGLY+...\n & + 7.7000D-01 * RXRAT( 193 ) ! XLO2+C2O3=0.7700D+00*MGLY+...\n & + 7.7000D-01 * RXRAT( 194 ) ! XLO2+RO2=0.7700D+00*MGLY+...\n & + 2.4000D-01 * RXRAT( 196 ) ! CRES+NO3=0.2400D+00*MGLY+...\n & + RXRAT( 203 ) ! XOPN+OH=MGLY+0.4000D+...\n & + 1.2000D+00 * RXRAT( 204 ) ! XOPN+O3=0.1200D+01*MGLY+...\n & + 2.5000D-01 * RXRAT( 205 ) ! XOPN+NO3=0.2500D+00*MGLY+...\n & + 2.4000D-01 * RXRAT( 208 ) ! OPEN+O3=0.2400D+00*MGLY+...\n LOSS( MGLY ) = RXRAT( 119 ) ! MGLY=C2O3+HO2+CO\n & + RXRAT( 120 ) ! MGLY+NO3=HNO3+C2O3+XO2+RO2\n & + RXRAT( 121 ) ! MGLY+OH=C2O3+CO\n & + RXRAT( 284 ) ! MGLY=AGLYJ\n\n PROD( ETHA ) = 0.0D0\n LOSS( ETHA ) = RXRAT( 125 ) ! ETHA+OH=0.9910D+00*ALD2+...\n & + RXRAT( 238 ) ! ETHA+CL=HCL+0.9910D+...\n\n PROD( ETOH ) = 0.0D0\n LOSS( ETOH ) = RXRAT( 127 ) ! ETOH+OH=0.9500D+00*ALD2+...\n & + RXRAT( 247 ) ! ETOH+CL=HCL+HO2+ALD2\n\n PROD( KET ) = 2.0000D-01 * RXRAT( 133 ) ! ROR=0.2000D+00*KET+0.4200D+...\n & + RXRAT( 134 ) ! ROR=KET+HO2\n LOSS( KET ) = RXRAT( 128 ) ! KET=0.5000D+00*ALD2+...\n\n PROD( PAR ) = 2.0000D-01 * RXRAT( 141 ) ! OLE+O=0.2000D+00*PAR+...\n & + 1.0000D-01 * RXRAT( 145 ) ! IOLE+O=0.1000D+00*PAR+...\n & + 2.9000D-01 * RXRAT( 147 ) ! IOLE+O3=0.2900D+00*PAR+...\n & + RXRAT( 148 ) ! IOLE+NO3=PAR+0.5000D+...\n & + 2.5000D-01 * RXRAT( 150 ) ! ISOP+O=0.2500D+00*PAR+...\n & + 3.5000D-01 * RXRAT( 156 ) ! ISOP+O3=0.3500D+00*PAR+...\n & + 1.1700D-01 * RXRAT( 158 ) ! ISPD+OH=0.1170D+00*PAR+...\n & + 7.1700D-01 * RXRAT( 160 ) ! ISPD+NO3=0.7170D+00*PAR+...\n & + 2.4000D-01 * RXRAT( 161 ) ! ISPD=0.2400D+00*PAR+...\n & + 2.1750D+00 * RXRAT( 166 ) ! EPX2+HO2=0.2175D+01*PAR+...\n & + 2.1750D+00 * RXRAT( 167 ) ! EPX2+NO=0.2175D+01*PAR+...\n & + 1.7400D+00 * RXRAT( 168 ) ! EPX2+C2O3=0.1740D+01*PAR+...\n & + 2.1750D+00 * RXRAT( 169 ) ! EPX2+RO2=0.2175D+01*PAR+...\n & + 2.7000D+00 * RXRAT( 170 ) ! INTR+OH=0.2700D+01*PAR+...\n & + 5.1200D+00 * RXRAT( 171 ) ! TERP+O=0.5120D+01*PAR+...\n & + 1.6600D+00 * RXRAT( 172 ) ! TERP+OH=0.1660D+01*PAR+...\n & + 7.0000D+00 * RXRAT( 173 ) ! TERP+O3=0.7000D+01*PAR+...\n & + 5.1200D+00 * RXRAT( 175 ) ! APIN+O=0.5120D+01*PAR+...\n & + 1.6600D+00 * RXRAT( 176 ) ! APIN+OH=0.1660D+01*PAR+...\n & + 7.0000D+00 * RXRAT( 177 ) ! APIN+O3=0.7000D+01*PAR+...\n & + 2.6800D-01 * RXRAT( 222 ) ! XPRP=0.2680D+00*PAR+...\n & + 3.0000D-01 * RXRAT( 241 ) ! CL+IOLE=0.3000D+00*PAR+...\n LOSS( PAR ) = 2.5000D+00 * RXRAT( 128 ) ! KET=-0.2500D+01*PAR+...\n & + RXRAT( 132 ) ! PAR+OH=XPAR\n & + 2.7000D+00 * RXRAT( 133 ) ! ROR=-0.2700D+01*PAR+...\n & + 7.3000D-01 * RXRAT( 142 ) ! OLE+OH=-0.7300D+00*PAR+...\n & + 7.9000D-01 * RXRAT( 143 ) ! OLE+O3=-0.7900D+00*PAR+...\n & + RXRAT( 144 ) ! OLE+NO3=-PAR+0.5000D+...\n & + 1.2600D-01 * RXRAT( 224 ) ! XPAR=-0.1260D+00*PAR+...\n & + RXRAT( 236 ) ! PAR+CL=HCL+XPAR\n & + RXRAT( 240 ) ! CL+OLE=-PAR+0.3300D+...\n\n PROD( ACET ) = 4.2000D-01 * RXRAT( 133 ) ! ROR=0.4200D+00*ACET+...\n & + 1.3700D-01 * RXRAT( 158 ) ! ISPD+OH=0.1370D+00*ACET+...\n & + 1.7000D-01 * RXRAT( 159 ) ! ISPD+O3=0.1700D+00*ACET+...\n & + 1.7000D-01 * RXRAT( 161 ) ! ISPD=0.1700D+00*ACET+...\n & + 7.3200D-01 * RXRAT( 222 ) ! XPRP=0.7320D+00*ACET+...\n & + RXRAT( 237 ) ! CL+PRPA=ACET+HCL+0.9700D+...\n LOSS( ACET ) = RXRAT( 129 ) ! ACET=0.3800D+00*CO+0.1380D+...\n & + RXRAT( 130 ) ! ACET+OH=FORM+C2O3+XO2+RO2\n\n PROD( PRPA ) = 0.0D0\n LOSS( PRPA ) = RXRAT( 131 ) ! PRPA+OH=XPRP\n & + RXRAT( 237 ) ! PRPA+CL=HCL+ACET+0.9700D+...\n\n PROD( XPRP ) = RXRAT( 131 ) ! PRPA+OH=XPRP\n LOSS( XPRP ) = RXRAT( 221 ) ! XPRP=XO2N+RO2\n & + RXRAT( 222 ) ! XPRP=0.7320D+00*ACET+...\n\n PROD( XPAR ) = RXRAT( 132 ) ! PAR+OH=XPAR\n & + RXRAT( 236 ) ! CL+PAR=XPAR+HCL\n LOSS( XPAR ) = RXRAT( 223 ) ! XPAR=XO2N+RO2\n & + RXRAT( 224 ) ! XPAR=0.1260D+00*ALDX+...\n\n PROD( ROR ) = 8.7400D-01 * RXRAT( 224 ) ! XPAR=0.8740D+00*ROR+...\n LOSS( ROR ) = 9.8000D-01 * RXRAT( 133 ) ! ROR=0.2000D-01*ROR+0.4200D+...\n & + RXRAT( 134 ) ! ROR=KET+HO2\n & + RXRAT( 135 ) ! ROR+NO2=NTR1\n\n PROD( ETHY ) = 0.0D0\n LOSS( ETHY ) = RXRAT( 136 ) ! ETHY+OH=0.7000D+00*GLY+...\n\n PROD( ETH ) = 0.0D0\n LOSS( ETH ) = RXRAT( 137 ) ! ETH+O=FORM+HO2+CO+0.7000D+...\n & + RXRAT( 138 ) ! ETH+OH=XO2H+RO2+0.1560D+...\n & + RXRAT( 139 ) ! ETH+O3=FORM+0.3500D+00*CO+...\n & + RXRAT( 140 ) ! ETH+NO3=0.5000D+00*NO2+...\n & + RXRAT( 239 ) ! ETH+CL=FMCL+0.2000D+01*XO2+...\n\n PROD( OLE ) = 2.4000D-01 * RXRAT( 161 ) ! ISPD=0.2400D+00*OLE+...\n & + 9.8000D-02 * RXRAT( 170 ) ! INTR+OH=0.9800D-01*OLE+...\n & + 3.0000D-01 * RXRAT( 241 ) ! CL+IOLE=0.3000D+00*OLE+...\n LOSS( OLE ) = RXRAT( 141 ) ! OLE+O=0.2000D+00*ALD2+...\n & + RXRAT( 142 ) ! OLE+OH=0.7810D+00*FORM+...\n & + RXRAT( 143 ) ! OLE+O3=0.2950D+00*ALD2+...\n & + RXRAT( 144 ) ! OLE+NO3=0.5000D+00*NO2+...\n & + RXRAT( 240 ) ! OLE+CL=FMCL+0.3300D+...\n\n PROD( IOLE ) = 2.9000D-02 * RXRAT( 162 ) ! ISPX+OH=0.2900D-01*IOLE+...\n LOSS( IOLE ) = RXRAT( 145 ) ! IOLE+O=0.1240D+01*ALD2+...\n & + RXRAT( 146 ) ! IOLE+OH=0.1300D+01*ALD2+...\n & + RXRAT( 147 ) ! IOLE+O3=0.7320D+00*ALD2+...\n & + RXRAT( 148 ) ! IOLE+NO3=0.5000D+00*NO2+...\n & + RXRAT( 241 ) ! IOLE+CL=0.3000D+00*HCL+...\n\n PROD( ISOP ) = 0.0D0\n LOSS( ISOP ) = RXRAT( 149 ) ! ISOP+OH=ISO2+RO2+ISOPRXN\n & + RXRAT( 150 ) ! ISOP+O=0.7500D+00*ISPD+...\n & + RXRAT( 156 ) ! ISOP+O3=0.6000D+00*FORM+...\n & + RXRAT( 157 ) ! ISOP+NO3=0.3500D+00*NO2+...\n & + RXRAT( 242 ) ! ISOP+CL=FMCL+ISPD+0.9600D+...\n\n PROD( ISO2 ) = RXRAT( 149 ) ! ISOP+OH=ISO2+RO2+ISOPRXN\n & + 6.7000D-02 * RXRAT( 162 ) ! ISPX+OH=0.6700D-01*ISO2+...\n LOSS( ISO2 ) = RXRAT( 151 ) ! ISO2+NO=0.1000D+00*INTR+...\n & + RXRAT( 152 ) ! ISO2+HO2=0.8800D+00*ISPX+...\n & + RXRAT( 153 ) ! ISO2+C2O3=0.5980D+00*FORM+...\n & + RXRAT( 154 ) ! ISO2+RO2=0.5980D+00*FORM+...\n & + RXRAT( 155 ) ! ISO2=HO2+HPLD\n\n PROD( ISOPRXN ) = RXRAT( 149 ) ! ISOP+OH=ISOPRXN+RO2+ISO2\n & + RXRAT( 157 ) ! ISOP+NO3=ISOPRXN+0.6500D+...\n LOSS( ISOPRXN ) = 0.0D0\n\n PROD( ISPD ) = 7.5000D-01 * RXRAT( 150 ) ! ISOP+O=0.7500D+00*ISPD+...\n & + 9.0000D-01 * RXRAT( 151 ) ! ISO2+NO=0.9000D+00*ISPD+...\n & + 1.2000D-01 * RXRAT( 152 ) ! ISO2+HO2=0.1200D+00*ISPD+...\n & + RXRAT( 153 ) ! ISO2+C2O3=ISPD+0.5980D+...\n & + RXRAT( 154 ) ! ISO2+RO2=ISPD+0.5980D+...\n & + 6.5000D-01 * RXRAT( 156 ) ! ISOP+O3=0.6500D+00*ISPD+...\n & + 3.5000D-01 * RXRAT( 157 ) ! ISOP+NO3=0.3500D+00*ISPD+...\n & + RXRAT( 163 ) ! HPLD=ISPD+OH\n & + RXRAT( 164 ) ! HPLD+NO3=ISPD+HNO3\n & + RXRAT( 242 ) ! CL+ISOP=ISPD+FMCL+0.9600D+...\n LOSS( ISPD ) = RXRAT( 158 ) ! ISPD+OH=0.2200D-01*XO2N+...\n & + RXRAT( 159 ) ! ISPD+O3=0.4000D-01*ALD2+...\n & + RXRAT( 160 ) ! ISPD+NO3=0.7170D+00*HNO3+...\n & + RXRAT( 161 ) ! ISPD=0.7600D+00*HO2+...\n\n PROD( INTR ) = 1.0000D-01 * RXRAT( 151 ) ! ISO2+NO=0.1000D+00*INTR+...\n LOSS( INTR ) = 8.9600D-01 * RXRAT( 170 ) ! INTR+OH=0.1040D+00*INTR+...\n\n PROD( ISPX ) = 8.8000D-01 * RXRAT( 152 ) ! ISO2+HO2=0.8800D+00*ISPX+...\n LOSS( ISPX ) = RXRAT( 162 ) ! ISPX+OH=0.9040D+00*EPOX+...\n\n PROD( HPLD ) = RXRAT( 155 ) ! ISO2=HPLD+HO2\n LOSS( HPLD ) = RXRAT( 163 ) ! HPLD=OH+ISPD\n & + RXRAT( 164 ) ! HPLD+NO3=HNO3+ISPD\n\n PROD( OPO3 ) = 4.5700D-01 * RXRAT( 158 ) ! ISPD+OH=0.4570D+00*OPO3+...\n & + 4.8000D-01 * RXRAT( 196 ) ! CRES+NO3=0.4800D+00*OPO3+...\n & + RXRAT( 206 ) ! OPEN=OPO3+HO2+CO\n & + 6.0000D-01 * RXRAT( 207 ) ! OPEN+OH=0.6000D+00*OPO3+...\n & + RXRAT( 209 ) ! OPEN+NO3=OPO3+HNO3\n & + RXRAT( 214 ) ! OPAN=OPO3+NO2\n LOSS( OPO3 ) = RXRAT( 212 ) ! OPO3+NO=NO2+0.5000D+00*GLY+...\n & + RXRAT( 213 ) ! OPO3+NO2=OPAN\n & + RXRAT( 215 ) ! OPO3+HO2=0.3700D+00*PACD+...\n & + RXRAT( 216 ) ! OPO3+C2O3=MEO2+XO2+ALDX+...\n & + RXRAT( 217 ) ! OPO3+RO2=0.8000D+00*XO2H+...\n\n PROD( EPOX ) = 9.0400D-01 * RXRAT( 162 ) ! ISPX+OH=0.9040D+00*EPOX+...\n LOSS( EPOX ) = RXRAT( 165 ) ! EPOX+OH=EPX2+RO2\n & + RXRAT( 280 ) ! EPOX=IEPOXP\n\n PROD( EPX2 ) = RXRAT( 165 ) ! EPOX+OH=EPX2+RO2\n LOSS( EPX2 ) = RXRAT( 166 ) ! EPX2+HO2=0.2750D+00*GLYD+...\n & + RXRAT( 167 ) ! EPX2+NO=0.2750D+00*GLYD+...\n & + RXRAT( 168 ) ! EPX2+C2O3=0.2200D+00*GLYD+...\n & + RXRAT( 169 ) ! EPX2+RO2=0.2750D+00*GLYD+...\n\n PROD( TERP ) = 0.0D0\n LOSS( TERP ) = RXRAT( 171 ) ! TERP+O=0.1500D+00*ALDX+...\n & + RXRAT( 172 ) ! TERP+OH=0.7500D+00*XO2H+...\n & + RXRAT( 173 ) ! TERP+O3=0.5700D+00*OH+...\n & + RXRAT( 174 ) ! TERP+NO3=0.4700D+00*NO2+...\n\n PROD( TRPRXN ) = RXRAT( 171 ) ! TERP+O=TRPRXN+0.5120D+...\n & + RXRAT( 172 ) ! TERP+OH=TRPRXN+0.5000D+...\n & + RXRAT( 173 ) ! TERP+O3=TRPRXN+0.7000D-...\n & + RXRAT( 175 ) ! APIN+O=TRPRXN+0.5120D+...\n & + RXRAT( 176 ) ! APIN+OH=TRPRXN+0.5000D+...\n & + RXRAT( 177 ) ! APIN+O3=TRPRXN+0.7000D-...\n LOSS( TRPRXN ) = 0.0D0\n\n PROD( TERPNRO2 ) = RXRAT( 174 ) ! TERP+NO3=TERPNRO2+0.2800D+...\n LOSS( TERPNRO2 ) = RXRAT( 285 ) ! TERPNRO2+NO=NO+0.6880D+...\n & + RXRAT( 286 ) ! TERPNRO2+HO2=HO2+MTNO3\n & + RXRAT( 287 ) ! TERPNRO2+NO3=NO3+0.4220D+...\n & + RXRAT( 288 ) ! TERPNRO2+RO2=RO2+0.7110D+...\n\n PROD( APIN ) = 0.0D0\n LOSS( APIN ) = RXRAT( 175 ) ! APIN+O=0.1500D+00*ALDX+...\n & + RXRAT( 176 ) ! APIN+OH=0.7500D+00*XO2H+...\n & + RXRAT( 177 ) ! APIN+O3=0.5700D+00*OH+...\n & + RXRAT( 178 ) ! APIN+NO3=0.4700D+00*NO2+...\n\n PROD( BENZENE ) = 0.0D0\n LOSS( BENZENE ) = RXRAT( 179 ) ! BENZENE+OH=0.5300D+00*CRES+...\n\n PROD( CRES ) = 5.3000D-01 * RXRAT( 179 ) ! BENZENE+OH=0.5300D+00*CRES+...\n & + 1.8000D-01 * RXRAT( 184 ) ! TOL+OH=0.1800D+00*CRES+...\n & + 1.5500D-01 * RXRAT( 189 ) ! XYLMN+OH=0.1550D+00*CRES+...\n & + 1.5500D-01 * RXRAT( 190 ) ! NAPH+OH=0.1550D+00*CRES+...\n & + RXRAT( 198 ) ! CRO+HO2=CRES\n & + 1.8000D-01 * RXRAT( 249 ) ! CL+TOL=0.1800D+00*CRES+HCL+...\n & + 1.5500D-01 * RXRAT( 250 ) ! CL+XYLMN=0.1550D+00*CRES+...\n & + 1.5500D-01 * RXRAT( 251 ) ! CL+NAPH=0.1550D+00*CRES+...\n LOSS( CRES ) = RXRAT( 195 ) ! CRES+OH=0.2500D-01*GLY+...\n & + RXRAT( 196 ) ! CRES+NO3=0.3000D+00*CRO+...\n\n PROD( BZO2 ) = 3.5200D-01 * RXRAT( 179 ) ! BENZENE+OH=0.3520D+00*BZO2+...\n LOSS( BZO2 ) = RXRAT( 180 ) ! BZO2+NO=0.9180D+00*NO2+...\n & + RXRAT( 181 ) ! BZO2+C2O3=GLY+OPEN+HO2+...\n & + RXRAT( 182 ) ! BZO2+HO2=\n & + RXRAT( 183 ) ! BZO2+RO2=GLY+OPEN+HO2+RO2\n\n PROD( OPEN ) = 1.1800D-01 * RXRAT( 179 ) ! BENZENE+OH=0.1180D+00*OPEN+...\n & + 9.1800D-01 * RXRAT( 180 ) ! BZO2+NO=0.9180D+00*OPEN+...\n & + RXRAT( 181 ) ! BZO2+C2O3=OPEN+GLY+HO2+...\n & + RXRAT( 183 ) ! BZO2+RO2=OPEN+GLY+HO2+RO2\n & + 1.0000D-01 * RXRAT( 184 ) ! TOL+OH=0.1000D+00*OPEN+...\n & + 6.6000D-01 * RXRAT( 185 ) ! TO2+NO=0.6600D+00*OPEN+...\n & + 7.7000D-01 * RXRAT( 186 ) ! TO2+C2O3=0.7700D+00*OPEN+...\n & + 7.7000D-01 * RXRAT( 188 ) ! TO2+RO2=0.7700D+00*OPEN+...\n & + 3.0000D-01 * RXRAT( 191 ) ! XLO2+NO=0.3000D+00*OPEN+...\n & + 3.5000D-01 * RXRAT( 193 ) ! XLO2+C2O3=0.3500D+00*OPEN+...\n & + 3.5000D-01 * RXRAT( 194 ) ! XLO2+RO2=0.3500D+00*OPEN+...\n & + 2.5000D-02 * RXRAT( 195 ) ! CRES+OH=0.2500D-01*OPEN+...\n & + RXRAT( 201 ) ! CRON=OPEN+HO2+FORM+HONO\n & + 2.5000D-01 * RXRAT( 205 ) ! XOPN+NO3=0.2500D+00*OPEN+...\n & + 1.0000D-01 * RXRAT( 249 ) ! CL+TOL=0.1000D+00*OPEN+...\n LOSS( OPEN ) = RXRAT( 206 ) ! OPEN=OPO3+HO2+CO\n & + RXRAT( 207 ) ! OPEN+OH=0.6000D+00*OPO3+...\n & + RXRAT( 208 ) ! OPEN+O3=0.1400D+01*GLY+...\n & + RXRAT( 209 ) ! OPEN+NO3=OPO3+HNO3\n\n PROD( BENZRO2 ) = RXRAT( 179 ) ! BENZENE+OH=BENZRO2+0.3520D+...\n LOSS( BENZRO2 ) = RXRAT( 262 ) ! BENZRO2+NO=NO+0.3400D-...\n & + RXRAT( 263 ) ! BENZRO2+HO2=HO2+0.1460D+...\n\n PROD( TOL ) = 0.0D0\n LOSS( TOL ) = RXRAT( 184 ) ! TOL+OH=0.1800D+00*CRES+...\n & + RXRAT( 249 ) ! TOL+CL=HCL+0.1800D+00*CRES+...\n\n PROD( TO2 ) = 6.5000D-01 * RXRAT( 184 ) ! TOL+OH=0.6500D+00*TO2+...\n & + 6.5000D-01 * RXRAT( 249 ) ! CL+TOL=0.6500D+00*TO2+...\n LOSS( TO2 ) = RXRAT( 185 ) ! TO2+NO=0.8600D+00*NO2+...\n & + RXRAT( 186 ) ! TO2+C2O3=0.4800D+00*GLY+...\n & + RXRAT( 187 ) ! TO2+HO2=\n & + RXRAT( 188 ) ! TO2+RO2=0.4800D+00*GLY+...\n\n PROD( TOLRO2 ) = RXRAT( 184 ) ! TOL+OH=TOLRO2+0.6500D+...\n & + RXRAT( 249 ) ! CL+TOL=TOLRO2+0.1800D+...\n LOSS( TOLRO2 ) = RXRAT( 258 ) ! TOLRO2+NO=NO+0.1600D-...\n & + RXRAT( 259 ) ! TOLRO2+HO2=HO2+0.1400D+...\n\n PROD( XOPN ) = 2.0000D-01 * RXRAT( 185 ) ! TO2+NO=0.2000D+00*XOPN+...\n & + 2.3000D-01 * RXRAT( 186 ) ! TO2+C2O3=0.2300D+00*XOPN+...\n & + 2.3000D-01 * RXRAT( 188 ) ! TO2+RO2=0.2300D+00*XOPN+...\n & + 2.4400D-01 * RXRAT( 189 ) ! XYLMN+OH=0.2440D+00*XOPN+...\n & + 2.4400D-01 * RXRAT( 190 ) ! NAPH+OH=0.2440D+00*XOPN+...\n & + 5.6000D-01 * RXRAT( 191 ) ! XLO2+NO=0.5600D+00*XOPN+...\n & + 6.5000D-01 * RXRAT( 193 ) ! XLO2+C2O3=0.6500D+00*XOPN+...\n & + 6.5000D-01 * RXRAT( 194 ) ! XLO2+RO2=0.6500D+00*XOPN+...\n & + 2.4400D-01 * RXRAT( 250 ) ! CL+XYLMN=0.2440D+00*XOPN+...\n & + 2.4400D-01 * RXRAT( 251 ) ! CL+NAPH=0.2440D+00*XOPN+...\n LOSS( XOPN ) = RXRAT( 202 ) ! XOPN=0.4000D+00*GLY+XO2H+...\n & + RXRAT( 203 ) ! XOPN+OH=MGLY+0.4000D+...\n & + RXRAT( 204 ) ! XOPN+O3=0.1200D+01*MGLY+...\n & + RXRAT( 205 ) ! XOPN+NO3=0.5000D+00*NO2+...\n\n PROD( XYLMN ) = 0.0D0\n LOSS( XYLMN ) = RXRAT( 189 ) ! XYLMN+OH=0.1550D+00*CRES+...\n & + RXRAT( 250 ) ! XYLMN+CL=HCL+0.1550D+...\n\n PROD( XLO2 ) = 5.4400D-01 * RXRAT( 189 ) ! XYLMN+OH=0.5440D+00*XLO2+...\n & + 5.4400D-01 * RXRAT( 190 ) ! NAPH+OH=0.5440D+00*XLO2+...\n & + 5.4400D-01 * RXRAT( 250 ) ! CL+XYLMN=0.5440D+00*XLO2+...\n & + 5.4400D-01 * RXRAT( 251 ) ! CL+NAPH=0.5440D+00*XLO2+...\n LOSS( XLO2 ) = RXRAT( 191 ) ! XLO2+NO=0.8600D+00*NO2+...\n & + RXRAT( 192 ) ! XLO2+HO2=\n & + RXRAT( 193 ) ! XLO2+C2O3=0.2600D+00*GLY+...\n & + RXRAT( 194 ) ! XLO2+RO2=0.2600D+00*GLY+...\n\n PROD( XYLRO2 ) = RXRAT( 189 ) ! XYLMN+OH=XYLRO2+0.5440D+...\n & + RXRAT( 250 ) ! CL+XYLMN=XYLRO2+0.1550D+...\n LOSS( XYLRO2 ) = RXRAT( 260 ) ! XYLRO2+NO=NO+0.1500D-...\n & + RXRAT( 261 ) ! XYLRO2+HO2=HO2+0.1930D+...\n\n PROD( NAPH ) = 0.0D0\n LOSS( NAPH ) = RXRAT( 190 ) ! NAPH+OH=0.1550D+00*CRES+...\n & + RXRAT( 251 ) ! NAPH+CL=HCL+0.1550D+...\n\n PROD( PAHRO2 ) = RXRAT( 190 ) ! NAPH+OH=PAHRO2+0.5440D+...\n & + RXRAT( 251 ) ! CL+NAPH=PAHRO2+0.1550D+...\n LOSS( PAHRO2 ) = RXRAT( 267 ) ! PAHRO2+NO=NO+0.2800D-...\n & + RXRAT( 268 ) ! PAHRO2+HO2=HO2+0.4730D+...\n\n PROD( CRO ) = 2.0000D-01 * RXRAT( 195 ) ! CRES+OH=0.2000D+00*CRO+...\n & + 3.0000D-01 * RXRAT( 196 ) ! CRES+NO3=0.3000D+00*CRO+...\n & + 5.0000D-01 * RXRAT( 199 ) ! CRON+OH=0.5000D+00*CRO+NTR2\n & + 5.0000D-01 * RXRAT( 200 ) ! CRON+NO3=0.5000D+00*CRO+...\n & + 5.0000D-01 * RXRAT( 210 ) ! CAT1+OH=0.5000D+00*CRO+...\n & + RXRAT( 211 ) ! CAT1+NO3=CRO+HNO3\n LOSS( CRO ) = RXRAT( 197 ) ! CRO+NO2=CRON\n & + RXRAT( 198 ) ! CRO+HO2=CRES\n\n PROD( CAT1 ) = 7.3200D-01 * RXRAT( 195 ) ! CRES+OH=0.7320D+00*CAT1+...\n LOSS( CAT1 ) = RXRAT( 210 ) ! CAT1+OH=0.1400D+00*FORM+...\n & + RXRAT( 211 ) ! CAT1+NO3=CRO+HNO3\n\n PROD( CRON ) = RXRAT( 197 ) ! CRO+NO2=CRON\n LOSS( CRON ) = RXRAT( 199 ) ! CRON+OH=NTR2+0.5000D+00*CRO\n & + RXRAT( 200 ) ! CRON+NO3=NTR2+0.5000D+...\n & + RXRAT( 201 ) ! CRON=HONO+HO2+FORM+OPEN\n\n PROD( OPAN ) = RXRAT( 213 ) ! OPO3+NO2=OPAN\n LOSS( OPAN ) = RXRAT( 214 ) ! OPAN=OPO3+NO2\n & + RXRAT( 218 ) ! OPAN+OH=0.5000D+00*NO2+...\n\n PROD( ECH4 ) = 0.0D0\n LOSS( ECH4 ) = RXRAT( 220 ) ! ECH4+OH=MEO2+RO2\n\n PROD( CL2 ) = 3.0000D-01 * RXRAT( 229 ) ! CLO+CLO=0.3000D+00*CL2+...\n LOSS( CL2 ) = RXRAT( 226 ) ! CL2=0.2000D+01*CL\n\n PROD( CL ) = 2.0000D+00 * RXRAT( 226 ) ! CL2=0.2000D+01*CL\n & + RXRAT( 227 ) ! HOCL=CL+OH\n & + 1.4000D+00 * RXRAT( 229 ) ! CLO+CLO=0.1400D+01*CL+...\n & + RXRAT( 230 ) ! CLO+NO=CL+NO2\n & + RXRAT( 232 ) ! CLO+MEO2=CL+FORM+HO2\n & + RXRAT( 233 ) ! OH+FMCL=CL+CO\n & + RXRAT( 234 ) ! FMCL=CL+CO+HO2\n & + RXRAT( 248 ) ! HCL+OH=CL\n & + RXRAT( 252 ) ! CLNO2=CL+NO2\n & + RXRAT( 255 ) ! CLNO3=CL+NO3\n LOSS( CL ) = RXRAT( 228 ) ! CL+O3=CLO\n & + RXRAT( 235 ) ! CL=HCL+MEO2+RO2\n & + RXRAT( 236 ) ! CL+PAR=HCL+XPAR\n & + RXRAT( 237 ) ! CL+PRPA=HCL+ACET+0.9700D+...\n & + RXRAT( 238 ) ! CL+ETHA=HCL+0.9910D+...\n & + RXRAT( 239 ) ! CL+ETH=FMCL+0.2000D+01*XO2+...\n & + RXRAT( 240 ) ! CL+OLE=FMCL+0.3300D+...\n & + RXRAT( 241 ) ! CL+IOLE=0.3000D+00*HCL+...\n & + RXRAT( 242 ) ! CL+ISOP=FMCL+ISPD+0.9600D+...\n & + RXRAT( 243 ) ! CL+FORM=HCL+HO2+CO\n & + RXRAT( 244 ) ! CL+ALD2=HCL+C2O3\n & + RXRAT( 245 ) ! CL+ALDX=HCL+CXO3\n & + RXRAT( 246 ) ! CL+MEOH=HCL+HO2+FORM\n & + RXRAT( 247 ) ! CL+ETOH=HCL+HO2+ALD2\n & + RXRAT( 249 ) ! CL+TOL=HCL+0.1800D+00*CRES+...\n & + RXRAT( 250 ) ! CL+XYLMN=HCL+0.1550D+...\n & + RXRAT( 251 ) ! CL+NAPH=HCL+0.1550D+...\n & + RXRAT( 349 ) ! CL+DMS=0.8600D+00*SO2+MEO2+...\n\n PROD( HOCL ) = RXRAT( 231 ) ! CLO+HO2=HOCL\n & + RXRAT( 256 ) ! CLNO3=HOCL+HNO3\n & + RXRAT( 257 ) ! CLNO3=HOCL+HNO3\n LOSS( HOCL ) = RXRAT( 227 ) ! HOCL=OH+CL\n\n PROD( CLO ) = RXRAT( 228 ) ! CL+O3=CLO\n & + RXRAT( 254 ) ! CLNO3=CLO+NO2\n & + 5.5000D-01 * RXRAT( 349 ) ! DMS+CL=0.5500D+00*CLO+MEO2+...\n LOSS( CLO ) = 2.0000D+00 * RXRAT( 229 ) ! CLO+CLO=0.3000D+00*CL2+...\n & + RXRAT( 230 ) ! CLO+NO=CL+NO2\n & + RXRAT( 231 ) ! CLO+HO2=HOCL\n & + RXRAT( 232 ) ! CLO+MEO2=CL+FORM+HO2\n & + RXRAT( 253 ) ! CLO+NO2=CLNO3\n\n PROD( FMCL ) = RXRAT( 239 ) ! CL+ETH=FMCL+0.2000D+01*XO2+...\n & + RXRAT( 240 ) ! CL+OLE=FMCL+0.3300D+...\n & + 7.0000D-01 * RXRAT( 241 ) ! CL+IOLE=0.7000D+00*FMCL+...\n & + RXRAT( 242 ) ! CL+ISOP=FMCL+ISPD+0.9600D+...\n LOSS( FMCL ) = RXRAT( 233 ) ! FMCL+OH=CL+CO\n & + RXRAT( 234 ) ! FMCL=CL+CO+HO2\n\n PROD( HCL ) = RXRAT( 235 ) ! CL=HCL+MEO2+RO2\n & + RXRAT( 236 ) ! CL+PAR=HCL+XPAR\n & + RXRAT( 237 ) ! CL+PRPA=HCL+ACET+0.9700D+...\n & + RXRAT( 238 ) ! CL+ETHA=HCL+0.9910D+...\n & + 3.0000D-01 * RXRAT( 241 ) ! CL+IOLE=0.3000D+00*HCL+...\n & + RXRAT( 243 ) ! CL+FORM=HCL+HO2+CO\n & + RXRAT( 244 ) ! CL+ALD2=HCL+C2O3\n & + RXRAT( 245 ) ! CL+ALDX=HCL+CXO3\n & + RXRAT( 246 ) ! CL+MEOH=HCL+HO2+FORM\n & + RXRAT( 247 ) ! CL+ETOH=HCL+HO2+ALD2\n & + RXRAT( 249 ) ! CL+TOL=HCL+0.1800D+00*CRES+...\n & + RXRAT( 250 ) ! CL+XYLMN=HCL+0.1550D+...\n & + RXRAT( 251 ) ! CL+NAPH=HCL+0.1550D+...\n & + 4.5000D-01 * RXRAT( 349 ) ! DMS+CL=0.4500D+00*HCL+MEO2+...\n LOSS( HCL ) = RXRAT( 248 ) ! HCL+OH=CL\n\n PROD( CLNO2 ) = RXRAT( 275 ) ! H2NO3PIJ+ACLI=CLNO2\n & + RXRAT( 276 ) ! H2NO3PIJ+ACLJ=CLNO2\n & + RXRAT( 277 ) ! H2NO3PK+ACLK=CLNO2\n LOSS( CLNO2 ) = RXRAT( 252 ) ! CLNO2=CL+NO2\n\n PROD( CLNO3 ) = RXRAT( 253 ) ! CLO+NO2=CLNO3\n LOSS( CLNO3 ) = RXRAT( 254 ) ! CLNO3=CLO+NO2\n & + RXRAT( 255 ) ! CLNO3=CL+NO3\n & + RXRAT( 256 ) ! CLNO3=HOCL+HNO3\n & + RXRAT( 257 ) ! CLNO3=HOCL+HNO3\n\n PROD( SVAVB2 ) = 1.6000D-02 * RXRAT( 258 ) ! TOLRO2+NO=0.1600D-...\n & + 1.5000D-02 * RXRAT( 260 ) ! XYLRO2+NO=0.1500D-...\n & + 3.4000D-02 * RXRAT( 262 ) ! BENZRO2+NO=0.3400D-...\n & + 2.8000D-02 * RXRAT( 267 ) ! PAHRO2+NO=0.2800D-...\n & + 6.0000D-03 * RXRAT( 269 ) ! SOAALK+OH=0.6000D-...\n LOSS( SVAVB2 ) = 0.0D0\n\n PROD( SVAVB3 ) = 5.1000D-02 * RXRAT( 258 ) ! TOLRO2+NO=0.5100D-...\n & + 2.3000D-02 * RXRAT( 260 ) ! XYLRO2+NO=0.2300D-...\n & + 2.2500D-01 * RXRAT( 267 ) ! PAHRO2+NO=0.2250D+...\n & + 5.2000D-02 * RXRAT( 269 ) ! SOAALK+OH=0.5200D-...\n LOSS( SVAVB3 ) = 0.0D0\n\n PROD( SVAVB4 ) = 4.7000D-02 * RXRAT( 258 ) ! TOLRO2+NO=0.4700D-...\n & + 6.0000D-02 * RXRAT( 260 ) ! XYLRO2+NO=0.6000D-...\n & + 3.9200D-01 * RXRAT( 262 ) ! BENZRO2+NO=0.3920D+...\n & + 1.9100D-01 * RXRAT( 267 ) ! PAHRO2+NO=0.1910D+...\n & + 8.1000D-02 * RXRAT( 269 ) ! SOAALK+OH=0.8100D-...\n LOSS( SVAVB4 ) = 0.0D0\n\n PROD( SVAVB1 ) = 1.4000D-01 * RXRAT( 259 ) ! TOLRO2+HO2=0.1400D+...\n & + 1.9300D-01 * RXRAT( 261 ) ! XYLRO2+HO2=0.1930D+...\n & + 1.4600D-01 * RXRAT( 263 ) ! BENZRO2+HO2=0.1460D+...\n & + 4.7300D-01 * RXRAT( 268 ) ! PAHRO2+HO2=0.4730D+...\n LOSS( SVAVB1 ) = 0.0D0\n\n PROD( SESQ ) = 0.0D0\n LOSS( SESQ ) = RXRAT( 264 ) ! SESQ+O3=O3+SESQRXN\n & + RXRAT( 265 ) ! SESQ+OH=OH+SESQRXN\n & + RXRAT( 266 ) ! SESQ+NO3=NO3+SESQRXN\n\n PROD( SESQRXN ) = RXRAT( 264 ) ! SESQ+O3=SESQRXN+O3\n & + RXRAT( 265 ) ! SESQ+OH=SESQRXN+OH\n & + RXRAT( 266 ) ! SESQ+NO3=SESQRXN+NO3\n LOSS( SESQRXN ) = 0.0D0\n\n PROD( SOAALK ) = 0.0D0\n LOSS( SOAALK ) = RXRAT( 269 ) ! SOAALK+OH=OH+0.6000D-...\n\n PROD( H2NO3PIJ ) = RXRAT( 271 ) ! N2O5=H2NO3PIJ+HNO3\n LOSS( H2NO3PIJ ) = RXRAT( 273 ) ! H2NO3PIJ=HNO3\n & + RXRAT( 275 ) ! H2NO3PIJ+ACLI=CLNO2\n & + RXRAT( 276 ) ! H2NO3PIJ+ACLJ=CLNO2\n\n PROD( H2NO3PK ) = RXRAT( 272 ) ! N2O5=H2NO3PK+HNO3\n LOSS( H2NO3PK ) = RXRAT( 274 ) ! H2NO3PK=HNO3\n & + RXRAT( 277 ) ! H2NO3PK+ACLK=CLNO2\n\n PROD( ACLI ) = 0.0D0\n LOSS( ACLI ) = RXRAT( 275 ) ! ACLI+H2NO3PIJ=CLNO2\n\n PROD( ACLJ ) = 0.0D0\n LOSS( ACLJ ) = RXRAT( 276 ) ! ACLJ+H2NO3PIJ=CLNO2\n\n PROD( ACLK ) = 0.0D0\n LOSS( ACLK ) = RXRAT( 277 ) ! ACLK+H2NO3PK=CLNO2\n\n PROD( IEPOXP ) = RXRAT( 280 ) ! EPOX=IEPOXP\n LOSS( IEPOXP ) = RXRAT( 281 ) ! IEPOXP+ASO4J=AISO3J\n & + RXRAT( 282 ) ! IEPOXP=AISO3J\n\n PROD( ASO4J ) = 0.0D0\n LOSS( ASO4J ) = RXRAT( 281 ) ! ASO4J+IEPOXP=AISO3J\n\n PROD( AISO3J ) = RXRAT( 281 ) ! IEPOXP+ASO4J=AISO3J\n & + RXRAT( 282 ) ! IEPOXP=AISO3J\n LOSS( AISO3J ) = 0.0D0\n\n PROD( AGLYJ ) = RXRAT( 283 ) ! GLY=AGLYJ\n & + RXRAT( 284 ) ! MGLY=AGLYJ\n LOSS( AGLYJ ) = 0.0D0\n\n PROD( MTNO3 ) = 6.8800D-01 * RXRAT( 285 ) ! TERPNRO2+NO=0.6880D+...\n & + RXRAT( 286 ) ! TERPNRO2+HO2=MTNO3+HO2\n & + 4.2200D-01 * RXRAT( 287 ) ! TERPNRO2+NO3=0.4220D+...\n & + 7.1100D-01 * RXRAT( 288 ) ! TERPNRO2+RO2=0.7110D+...\n LOSS( MTNO3 ) = 6.3000D-01 * RXRAT( 289 ) ! MTNO3+CL=0.3700D+00*MTNO3+CL\n & + 7.6000D-01 * RXRAT( 290 ) ! MTNO3+OH=0.2400D+00*MTNO3+OH\n & + RXRAT( 291 ) ! MTNO3=\n\n PROD( AMTNO3J ) = 0.0D0\n LOSS( AMTNO3J ) = RXRAT( 292 ) ! AMTNO3J=AMTHYDJ\n\n PROD( AMTHYDJ ) = RXRAT( 292 ) ! AMTNO3J=AMTHYDJ\n LOSS( AMTHYDJ ) = 0.0D0\n\n PROD( AAVB2J ) = 0.0D0\n LOSS( AAVB2J ) = RXRAT( 293 ) ! AAVB2J=0.9070D+00*AOLGAJ\n\n PROD( AOLGAJ ) = 9.0700D-01 * RXRAT( 293 ) ! AAVB2J=0.9070D+00*AOLGAJ\n & + 9.2500D-01 * RXRAT( 294 ) ! AAVB3J=0.9250D+00*AOLGAJ\n & + 9.4300D-01 * RXRAT( 295 ) ! AAVB4J=0.9430D+00*AOLGAJ\n LOSS( AOLGAJ ) = 0.0D0\n\n PROD( AAVB3J ) = 0.0D0\n LOSS( AAVB3J ) = RXRAT( 294 ) ! AAVB3J=0.9250D+00*AOLGAJ\n\n PROD( AAVB4J ) = 0.0D0\n LOSS( AAVB4J ) = RXRAT( 295 ) ! AAVB4J=0.9430D+00*AOLGAJ\n\n PROD( AISO1J ) = 0.0D0\n LOSS( AISO1J ) = RXRAT( 296 ) ! AISO1J=0.5000D+00*AOLGBJ\n\n PROD( AOLGBJ ) = 5.0000D-01 * RXRAT( 296 ) ! AISO1J=0.5000D+00*AOLGBJ\n & + 5.0000D-01 * RXRAT( 297 ) ! AISO2J=0.5000D+00*AOLGBJ\n & + 1.5000D+00 * RXRAT( 298 ) ! ASQTJ=0.1500D+01*AOLGBJ\n LOSS( AOLGBJ ) = 0.0D0\n\n PROD( AISO2J ) = 0.0D0\n LOSS( AISO2J ) = RXRAT( 297 ) ! AISO2J=0.5000D+00*AOLGBJ\n\n PROD( ASQTJ ) = 0.0D0\n LOSS( ASQTJ ) = RXRAT( 298 ) ! ASQTJ=0.1500D+01*AOLGBJ\n\n PROD( APOCI ) = 0.0D0\n LOSS( APOCI ) = 0.0D0\n\n PROD( APNCOMI ) = 1.2500D+00 * RXRAT( 299 ) ! APOCI+OH=0.1250D+...\n LOSS( APNCOMI ) = RXRAT( 300 ) ! APNCOMI+OH=OH\n\n PROD( APOCJ ) = 0.0D0\n LOSS( APOCJ ) = 0.0D0\n\n PROD( APNCOMJ ) = 1.2500D+00 * RXRAT( 301 ) ! APOCJ+OH=0.1250D+...\n LOSS( APNCOMJ ) = RXRAT( 302 ) ! APNCOMJ+OH=OH\n\n PROD( PCVOC ) = 0.0D0\n LOSS( PCVOC ) = RXRAT( 303 ) ! PCVOC+OH=OH+PCSOARXN\n\n PROD( PCSOARXN ) = RXRAT( 303 ) ! PCVOC+OH=PCSOARXN+OH\n LOSS( PCSOARXN ) = 0.0D0\n\n PROD( VLVPO1 ) = 3.0030D-01 * RXRAT( 305 ) ! VSVPO1+OH=0.3003D+...\n & + 3.8560D-01 * RXRAT( 306 ) ! VSVPO2+OH=0.3856D+...\n & + 2.1810D-01 * RXRAT( 307 ) ! VSVPO3+OH=0.2181D+...\n & + 2.4120D-01 * RXRAT( 308 ) ! VIVPO1+OH=0.2412D+...\n LOSS( VLVPO1 ) = 5.1430D-01 * RXRAT( 304 ) ! VLVPO1+OH=0.4857D+...\n\n PROD( VSVPO1 ) = 6.2000D-03 * RXRAT( 304 ) ! VLVPO1+OH=0.6200D-...\n & + 9.5000D-02 * RXRAT( 306 ) ! VSVPO2+OH=0.9500D-...\n & + 3.0630D-01 * RXRAT( 307 ) ! VSVPO3+OH=0.3063D+...\n & + 2.0890D-01 * RXRAT( 308 ) ! VIVPO1+OH=0.2089D+...\n LOSS( VSVPO1 ) = 7.1380D-01 * RXRAT( 305 ) ! VSVPO1+OH=0.2862D+...\n\n PROD( VSVPO2 ) = 2.5000D-03 * RXRAT( 304 ) ! VLVPO1+OH=0.2500D-...\n & + 4.1000D-03 * RXRAT( 305 ) ! VSVPO1+OH=0.4100D-...\n & + 1.5300D-02 * RXRAT( 307 ) ! VSVPO3+OH=0.1530D-...\n & + 3.0000D-01 * RXRAT( 308 ) ! VIVPO1+OH=0.3000D+...\n LOSS( VSVPO2 ) = 8.6270D-01 * RXRAT( 306 ) ! VSVPO2+OH=0.1373D+...\n\n PROD( VSVPO3 ) = 2.6000D-03 * RXRAT( 304 ) ! VLVPO1+OH=0.2600D-...\n & + 3.5000D-03 * RXRAT( 305 ) ! VSVPO1+OH=0.3500D-...\n & + 5.0000D-04 * RXRAT( 306 ) ! VSVPO2+OH=0.5000D-...\n LOSS( VSVPO3 ) = 8.9570D-01 * RXRAT( 307 ) ! VSVPO3+OH=0.1043D+...\n\n PROD( VIVPO1 ) = 2.3000D-03 * RXRAT( 304 ) ! VLVPO1+OH=0.2300D-...\n LOSS( VIVPO1 ) = RXRAT( 308 ) ! VIVPO1+OH=OH+0.2412D+...\n\n PROD( VLVOO1 ) = 2.9440D-01 * RXRAT( 304 ) ! VLVPO1+OH=0.2944D+...\n & + 2.2390D-01 * RXRAT( 305 ) ! VSVPO1+OH=0.2239D+...\n & + 2.0510D-01 * RXRAT( 306 ) ! VSVPO2+OH=0.2051D+...\n & + 1.8930D-01 * RXRAT( 307 ) ! VSVPO3+OH=0.1893D+...\n & + 2.0280D-01 * RXRAT( 308 ) ! VIVPO1+OH=0.2028D+...\n & + 2.8580D-01 * RXRAT( 310 ) ! VLVOO2+OH=0.2858D+...\n & + 3.3030D-01 * RXRAT( 311 ) ! VSVOO1+OH=0.3303D+...\n & + 3.4440D-01 * RXRAT( 312 ) ! VSVOO2+OH=0.3444D+...\n & + 3.8860D-01 * RXRAT( 313 ) ! VSVOO3+OH=0.3886D+...\n LOSS( VLVOO1 ) = 3.3360D-01 * RXRAT( 309 ) ! VLVOO1+OH=0.6664D+...\n\n PROD( VLVOO2 ) = 2.0210D-01 * RXRAT( 304 ) ! VLVPO1+OH=0.2021D+...\n & + 1.8200D-01 * RXRAT( 305 ) ! VSVPO1+OH=0.1820D+...\n & + 1.7640D-01 * RXRAT( 306 ) ! VSVPO2+OH=0.1764D+...\n & + 1.6680D-01 * RXRAT( 307 ) ! VSVPO3+OH=0.1668D+...\n & + 4.7100D-02 * RXRAT( 308 ) ! VIVPO1+OH=0.4710D-...\n & + 1.4300D-02 * RXRAT( 309 ) ! VLVOO1+OH=0.1430D-...\n & + 2.2720D-01 * RXRAT( 311 ) ! VSVOO1+OH=0.2272D+...\n & + 2.7490D-01 * RXRAT( 312 ) ! VSVOO2+OH=0.2749D+...\n & + 2.4210D-01 * RXRAT( 313 ) ! VSVOO3+OH=0.2421D+...\n LOSS( VLVOO2 ) = 6.0690D-01 * RXRAT( 310 ) ! VLVOO2+OH=0.3931D+...\n\n PROD( VSVOO2 ) = 1.9000D-03 * RXRAT( 304 ) ! VLVPO1+OH=0.1900D-...\n & + 1.2390D-01 * RXRAT( 309 ) ! VLVOO1+OH=0.1239D+...\n & + 1.0270D-01 * RXRAT( 310 ) ! VLVOO2+OH=0.1027D+...\n & + 7.0200D-02 * RXRAT( 311 ) ! VSVOO1+OH=0.7020D-...\n & + 3.8500D-02 * RXRAT( 313 ) ! VSVOO3+OH=0.3850D-...\n LOSS( VSVOO2 ) = 7.4230D-01 * RXRAT( 312 ) ! VSVOO2+OH=0.2577D+...\n\n PROD( VSVOO3 ) = 2.3000D-03 * RXRAT( 304 ) ! VLVPO1+OH=0.2300D-...\n & + 1.8310D-01 * RXRAT( 309 ) ! VLVOO1+OH=0.1831D+...\n & + 2.0450D-01 * RXRAT( 310 ) ! VLVOO2+OH=0.2045D+...\n & + 1.1160D-01 * RXRAT( 311 ) ! VSVOO1+OH=0.1116D+...\n & + 7.3900D-02 * RXRAT( 312 ) ! VSVOO2+OH=0.7390D-...\n LOSS( VSVOO3 ) = 7.3330D-01 * RXRAT( 313 ) ! VSVOO3+OH=0.2667D+...\n\n PROD( VSVOO1 ) = 1.2300D-02 * RXRAT( 309 ) ! VLVOO1+OH=0.1230D-...\n & + 1.3900D-02 * RXRAT( 310 ) ! VLVOO2+OH=0.1390D-...\n & + 4.9100D-02 * RXRAT( 312 ) ! VSVOO2+OH=0.4910D-...\n & + 6.4000D-02 * RXRAT( 313 ) ! VSVOO3+OH=0.6400D-...\n LOSS( VSVOO1 ) = 7.3930D-01 * RXRAT( 311 ) ! VSVOO1+OH=0.2607D+...\n\n PROD( FORM_PRIMARY ) = 0.0D0\n LOSS( FORM_PRIMARY ) = RXRAT( 314 ) ! FORM_PRIMARY+OH=OH\n & + RXRAT( 315 ) ! FORM_PRIMARY+NO3=NO3\n & + RXRAT( 316 ) ! FORM_PRIMARY+O=O\n & + RXRAT( 317 ) ! FORM_PRIMARY=\n & + RXRAT( 318 ) ! FORM_PRIMARY=\n & + RXRAT( 319 ) ! FORM_PRIMARY+CL=CL\n\n PROD( ALD2_PRIMARY ) = 0.0D0\n LOSS( ALD2_PRIMARY ) = RXRAT( 320 ) ! ALD2_PRIMARY+OH=OH\n & + RXRAT( 321 ) ! ALD2_PRIMARY+NO3=NO3\n & + RXRAT( 322 ) ! ALD2_PRIMARY+O=O\n & + RXRAT( 323 ) ! ALD2_PRIMARY=\n & + RXRAT( 324 ) ! ALD2_PRIMARY+CL=CL\n\n PROD( BUTADIENE13 ) = 0.0D0\n LOSS( BUTADIENE13 ) = RXRAT( 325 ) ! BUTADIENE13+OH=OH+0.5800D+...\n & + RXRAT( 326 ) ! BUTADIENE13+O3=O3+0.5200D+...\n & + RXRAT( 327 ) ! BUTADIENE13+NO3=NO3+...\n & + RXRAT( 328 ) ! BUTADIENE13+CL=CL+0.5800D+...\n\n PROD( ACROLEIN ) = 5.8000D-01 * RXRAT( 325 ) ! BUTADIENE13+OH=0.5800D+...\n & + 5.2000D-01 * RXRAT( 326 ) ! BUTADIENE13+O3=0.5200D+...\n & + 4.5000D-02 * RXRAT( 327 ) ! BUTADIENE13+NO3=0.4500D-...\n & + 5.8000D-01 * RXRAT( 328 ) ! BUTADIENE13+CL=0.5800D+...\n LOSS( ACROLEIN ) = RXRAT( 334 ) ! ACROLEIN+OH=OH\n & + RXRAT( 335 ) ! ACROLEIN+O3=O3\n & + RXRAT( 336 ) ! ACROLEIN+NO3=NO3\n & + RXRAT( 337 ) ! ACROLEIN=\n & + RXRAT( 338 ) ! ACROLEIN+CL=CL\n\n PROD( ACRO_PRIMARY ) = 0.0D0\n LOSS( ACRO_PRIMARY ) = RXRAT( 329 ) ! ACRO_PRIMARY+OH=OH\n & + RXRAT( 330 ) ! ACRO_PRIMARY+O3=O3\n & + RXRAT( 331 ) ! ACRO_PRIMARY+NO3=NO3\n & + RXRAT( 332 ) ! ACRO_PRIMARY=\n & + RXRAT( 333 ) ! ACRO_PRIMARY+CL=CL\n\n PROD( TOLU ) = 0.0D0\n LOSS( TOLU ) = RXRAT( 339 ) ! TOLU+OH=OH\n & + RXRAT( 340 ) ! TOLU+CL=CL\n\n PROD( HG ) = 0.0D0\n LOSS( HG ) = RXRAT( 341 ) ! HG+O3=0.5000D+00*HGIIAER+...\n & + RXRAT( 342 ) ! HG+CL2=HGIIGAS+CL2\n & + RXRAT( 343 ) ! HG+H2O2=HGIIGAS+H2O2\n & + RXRAT( 344 ) ! HG+OH=0.5000D+00*HGIIAER+...\n & + 5.0000D-01 * RXRAT( 345 ) ! HG+CL=0.5000D+00*HG+...\n\n PROD( HGIIAER ) = 5.0000D-01 * RXRAT( 341 ) ! HG+O3=0.5000D+00*HGIIAER+...\n & + 5.0000D-01 * RXRAT( 344 ) ! HG+OH=0.5000D+00*HGIIAER+...\n LOSS( HGIIAER ) = 0.0D0\n\n PROD( HGIIGAS ) = 5.0000D-01 * RXRAT( 341 ) ! HG+O3=0.5000D+00*HGIIGAS+...\n & + RXRAT( 342 ) ! HG+CL2=HGIIGAS+CL2\n & + RXRAT( 343 ) ! HG+H2O2=HGIIGAS+H2O2\n & + 5.0000D-01 * RXRAT( 344 ) ! HG+OH=0.5000D+00*HGIIGAS+...\n & + 5.0000D-01 * RXRAT( 345 ) ! HG+CL=0.5000D+00*HGIIGAS+...\n LOSS( HGIIGAS ) = 0.0D0\n\n PROD( DMS ) = 0.0D0\n LOSS( DMS ) = RXRAT( 346 ) ! DMS+OH=SO2+MEO2+FORM\n & + RXRAT( 347 ) ! DMS+OH=0.7500D+00*SO2+...\n & + RXRAT( 348 ) ! DMS+NO3=SO2+HNO3+MEO2+FORM\n & + RXRAT( 349 ) ! DMS+CL=0.8600D+00*SO2+MEO2+...\n\n PROD( MSA ) = 2.5000D-01 * RXRAT( 347 ) ! DMS+OH=0.2500D+00*MSA+...\n & + 1.4000D-01 * RXRAT( 349 ) ! DMS+CL=0.1400D+00*MSA+MEO2+...\n LOSS( MSA ) = 0.0D0\n\n PNEG( PAR ) = 2.5000D+00 * RXRAT( 128 ) ! KET=-0.2500D+01*PAR+...\n & + 2.7000D+00 * RXRAT( 133 ) ! ROR=-0.2700D+01*PAR+...\n & + 7.3000D-01 * RXRAT( 142 ) ! OLE+OH=-0.7300D+00*PAR+...\n & + 7.9000D-01 * RXRAT( 143 ) ! OLE+O3=-0.7900D+00*PAR+...\n & + RXRAT( 144 ) ! OLE+NO3=-PAR+0.5000D+...\n & + 1.2600D-01 * RXRAT( 224 ) ! XPAR=-0.1260D+00*PAR+...\n & + RXRAT( 240 ) ! CL+OLE=-PAR+0.3300D+...\n\n RETURN\n\n END\n" }, { "path": "CCTM/src/gas/ebi_cb6r5_ae7_aq/hrrates.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE HRRATES\n\nC***********************************************************************\nC\nC FUNCTION: To calculate rates of reactions\nC\nC PRECONDITIONS: For the CB6R5_AE7_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 8, 2022\nC\nC***********************************************************************\n USE HRDATA\n\n IMPLICIT NONE\n\nC.....INCLUDES: NONE\n\n\nC.....ARGUMENTS: NONE\n\n\nC.....PARAMETERS: NONE\n\n\nC.....EXTERNAL FUNCTIONS: NONE\n\n\nC.....SAVED VARIABLES: NONE\n! CHARACTER( 16 ), SAVE :: PNAME = 'HRRATES' ! Program name\n\n\nC.....LOCAL VARIABLES: None\n\nC***********************************************************************\nC..NOTE: RXRAT commented out are not referenced by any routine\n! RXRAT( 1 ) = RKI( 1 ) * YC( NO2 )\n! RXRAT( 2 ) = RKI( 2 ) * YC( O )\n! RXRAT( 3 ) = RKI( 3 ) * YC( O3 ) * YC( NO )\n! RXRAT( 4 ) = RKI( 4 ) * YC( O ) * YC( NO )\n! RXRAT( 5 ) = RKI( 5 ) * YC( O ) * YC( NO2 )\n RXRAT( 6 ) = RKI( 6 ) * YC( O ) * YC( NO2 )\n! RXRAT( 7 ) = RKI( 7 ) * YC( O ) * YC( O3 )\n RXRAT( 8 ) = RKI( 8 ) * YC( O3 )\n RXRAT( 9 ) = RKI( 9 ) * YC( O3 )\n! RXRAT( 10 ) = RKI( 10 ) * YC( O1D )\n! RXRAT( 11 ) = RKI( 11 ) * YC( O1D )\n! RXRAT( 12 ) = RKI( 12 ) * YC( O3 ) * YC( OH )\n! RXRAT( 13 ) = RKI( 13 ) * YC( O3 ) * YC( HO2 )\n! RXRAT( 14 ) = RKI( 14 ) * YC( OH ) * YC( O )\n! RXRAT( 15 ) = RKI( 15 ) * YC( HO2 ) * YC( O )\n RXRAT( 16 ) = RKI( 16 ) * YC( OH ) * YC( OH )\n RXRAT( 17 ) = RKI( 17 ) * YC( OH ) * YC( OH )\n! RXRAT( 18 ) = RKI( 18 ) * YC( OH ) * YC( HO2 )\n RXRAT( 19 ) = RKI( 19 ) * YC( HO2 ) * YC( HO2 )\n RXRAT( 20 ) = RKI( 20 ) * YC( HO2 ) * YC( HO2 )\n RXRAT( 21 ) = RKI( 21 ) * YC( H2O2 )\n RXRAT( 22 ) = RKI( 22 ) * YC( H2O2 ) * YC( OH )\n RXRAT( 23 ) = RKI( 23 ) * YC( H2O2 ) * YC( O )\n! RXRAT( 24 ) = RKI( 24 ) * YC( NO ) * YC( NO )\n! RXRAT( 25 ) = RKI( 25 ) * YC( HO2 ) * YC( NO )\n RXRAT( 26 ) = RKI( 26 ) * YC( NO2 ) * YC( O3 )\n RXRAT( 27 ) = RKI( 27 ) * YC( NO3 )\n RXRAT( 28 ) = RKI( 28 ) * YC( NO3 )\n RXRAT( 29 ) = RKI( 29 ) * YC( NO3 ) * YC( NO )\n RXRAT( 30 ) = RKI( 30 ) * YC( NO3 ) * YC( NO2 )\n RXRAT( 31 ) = RKI( 31 ) * YC( NO3 ) * YC( O )\n RXRAT( 32 ) = RKI( 32 ) * YC( NO3 ) * YC( OH )\n RXRAT( 33 ) = RKI( 33 ) * YC( NO3 ) * YC( HO2 )\n RXRAT( 34 ) = RKI( 34 ) * YC( NO3 ) * YC( O3 )\n RXRAT( 35 ) = RKI( 35 ) * YC( NO3 ) * YC( NO3 )\n! RXRAT( 36 ) = RKI( 36 ) * YC( NO3 ) * YC( NO2 )\n RXRAT( 37 ) = RKI( 37 ) * YC( N2O5 )\n RXRAT( 38 ) = RKI( 38 ) * YC( N2O5 )\n RXRAT( 39 ) = RKI( 39 ) * YC( N2O5 )\n! RXRAT( 40 ) = RKI( 40 ) * YC( NO ) * YC( OH )\n RXRAT( 41 ) = RKI( 41 ) * YC( NO ) * YC( NO2 )\n RXRAT( 42 ) = RKI( 42 ) * YC( HONO ) * YC( HONO )\n RXRAT( 43 ) = RKI( 43 ) * YC( HONO )\n RXRAT( 44 ) = RKI( 44 ) * YC( HONO ) * YC( OH )\n RXRAT( 45 ) = RKI( 45 ) * YC( NO2 ) * YC( OH )\n RXRAT( 46 ) = RKI( 46 ) * YC( HNO3 ) * YC( OH )\n RXRAT( 47 ) = RKI( 47 ) * YC( HNO3 )\n! RXRAT( 48 ) = RKI( 48 ) * YC( HO2 ) * YC( NO2 )\n RXRAT( 49 ) = RKI( 49 ) * YC( PNA )\n RXRAT( 50 ) = RKI( 50 ) * YC( PNA )\n RXRAT( 51 ) = RKI( 51 ) * YC( PNA ) * YC( OH )\n RXRAT( 52 ) = RKI( 52 ) * YC( SO2 ) * YC( OH )\n RXRAT( 53 ) = RKI( 53 ) * YC( C2O3 ) * YC( NO )\n! RXRAT( 54 ) = RKI( 54 ) * YC( C2O3 ) * YC( NO2 )\n RXRAT( 55 ) = RKI( 55 ) * YC( PAN )\n RXRAT( 56 ) = RKI( 56 ) * YC( PAN )\n RXRAT( 57 ) = RKI( 57 ) * YC( C2O3 ) * YC( HO2 )\n RXRAT( 58 ) = RKI( 58 ) * YC( C2O3 ) * YC( RO2 )\n RXRAT( 59 ) = RKI( 59 ) * YC( C2O3 ) * YC( C2O3 )\n RXRAT( 60 ) = RKI( 60 ) * YC( C2O3 ) * YC( CXO3 )\n RXRAT( 61 ) = RKI( 61 ) * YC( CXO3 ) * YC( NO )\n RXRAT( 62 ) = RKI( 62 ) * YC( CXO3 ) * YC( NO2 )\n RXRAT( 63 ) = RKI( 63 ) * YC( PANX )\n RXRAT( 64 ) = RKI( 64 ) * YC( PANX )\n RXRAT( 65 ) = RKI( 65 ) * YC( CXO3 ) * YC( HO2 )\n RXRAT( 66 ) = RKI( 66 ) * YC( CXO3 ) * YC( RO2 )\n RXRAT( 67 ) = RKI( 67 ) * YC( CXO3 ) * YC( CXO3 )\n RXRAT( 68 ) = RKI( 68 ) * YC( RO2 ) * YC( NO )\n RXRAT( 69 ) = RKI( 69 ) * YC( RO2 ) * YC( HO2 )\n RXRAT( 70 ) = RKI( 70 ) * YC( RO2 ) * YC( RO2 )\n RXRAT( 71 ) = RKI( 71 ) * YC( MEO2 ) * YC( NO )\n RXRAT( 72 ) = RKI( 72 ) * YC( MEO2 ) * YC( HO2 )\n RXRAT( 73 ) = RKI( 73 ) * YC( MEO2 ) * YC( C2O3 )\n RXRAT( 74 ) = RKI( 74 ) * YC( MEO2 ) * YC( RO2 )\n RXRAT( 75 ) = RKI( 75 ) * YC( XO2H ) * YC( NO )\n RXRAT( 76 ) = RKI( 76 ) * YC( XO2H ) * YC( HO2 )\n RXRAT( 77 ) = RKI( 77 ) * YC( XO2H ) * YC( C2O3 )\n RXRAT( 78 ) = RKI( 78 ) * YC( XO2H ) * YC( RO2 )\n RXRAT( 79 ) = RKI( 79 ) * YC( XO2 ) * YC( NO )\n RXRAT( 80 ) = RKI( 80 ) * YC( XO2 ) * YC( HO2 )\n RXRAT( 81 ) = RKI( 81 ) * YC( XO2 ) * YC( C2O3 )\n RXRAT( 82 ) = RKI( 82 ) * YC( XO2 ) * YC( RO2 )\n RXRAT( 83 ) = RKI( 83 ) * YC( XO2N ) * YC( NO )\n RXRAT( 84 ) = RKI( 84 ) * YC( XO2N ) * YC( HO2 )\n RXRAT( 85 ) = RKI( 85 ) * YC( XO2N ) * YC( C2O3 )\n RXRAT( 86 ) = RKI( 86 ) * YC( XO2N ) * YC( RO2 )\n RXRAT( 87 ) = RKI( 87 ) * YC( MEPX ) * YC( OH )\n RXRAT( 88 ) = RKI( 88 ) * YC( MEPX )\n RXRAT( 89 ) = RKI( 89 ) * YC( ROOH ) * YC( OH )\n RXRAT( 90 ) = RKI( 90 ) * YC( ROOH )\n RXRAT( 91 ) = RKI( 91 ) * YC( NTR1 ) * YC( OH )\n RXRAT( 92 ) = RKI( 92 ) * YC( NTR1 )\n RXRAT( 93 ) = RKI( 93 ) * YC( FACD ) * YC( OH )\n RXRAT( 94 ) = RKI( 94 ) * YC( AACD ) * YC( OH )\n RXRAT( 95 ) = RKI( 95 ) * YC( PACD ) * YC( OH )\n RXRAT( 96 ) = RKI( 96 ) * YC( FORM ) * YC( OH )\n RXRAT( 97 ) = RKI( 97 ) * YC( FORM )\n RXRAT( 98 ) = RKI( 98 ) * YC( FORM )\n RXRAT( 99 ) = RKI( 99 ) * YC( FORM ) * YC( O )\n RXRAT( 100 ) = RKI( 100 ) * YC( FORM ) * YC( NO3 )\n RXRAT( 101 ) = RKI( 101 ) * YC( FORM ) * YC( HO2 )\n RXRAT( 102 ) = RKI( 102 ) * YC( HCO3 )\n RXRAT( 103 ) = RKI( 103 ) * YC( HCO3 ) * YC( NO )\n RXRAT( 104 ) = RKI( 104 ) * YC( HCO3 ) * YC( HO2 )\n RXRAT( 105 ) = RKI( 105 ) * YC( ALD2 ) * YC( O )\n RXRAT( 106 ) = RKI( 106 ) * YC( ALD2 ) * YC( OH )\n RXRAT( 107 ) = RKI( 107 ) * YC( ALD2 ) * YC( NO3 )\n RXRAT( 108 ) = RKI( 108 ) * YC( ALD2 )\n RXRAT( 109 ) = RKI( 109 ) * YC( ALDX ) * YC( O )\n RXRAT( 110 ) = RKI( 110 ) * YC( ALDX ) * YC( OH )\n RXRAT( 111 ) = RKI( 111 ) * YC( ALDX ) * YC( NO3 )\n RXRAT( 112 ) = RKI( 112 ) * YC( ALDX )\n RXRAT( 113 ) = RKI( 113 ) * YC( GLYD ) * YC( OH )\n RXRAT( 114 ) = RKI( 114 ) * YC( GLYD )\n RXRAT( 115 ) = RKI( 115 ) * YC( GLYD ) * YC( NO3 )\n RXRAT( 116 ) = RKI( 116 ) * YC( GLY ) * YC( OH )\n RXRAT( 117 ) = RKI( 117 ) * YC( GLY )\n RXRAT( 118 ) = RKI( 118 ) * YC( GLY ) * YC( NO3 )\n RXRAT( 119 ) = RKI( 119 ) * YC( MGLY )\n RXRAT( 120 ) = RKI( 120 ) * YC( MGLY ) * YC( NO3 )\n RXRAT( 121 ) = RKI( 121 ) * YC( MGLY ) * YC( OH )\n! RXRAT( 122 ) = RKI( 122 ) * YC( OH )\n RXRAT( 123 ) = RKI( 123 ) * YC( CO ) * YC( OH )\n RXRAT( 124 ) = RKI( 124 ) * YC( OH )\n RXRAT( 125 ) = RKI( 125 ) * YC( ETHA ) * YC( OH )\n RXRAT( 126 ) = RKI( 126 ) * YC( MEOH ) * YC( OH )\n RXRAT( 127 ) = RKI( 127 ) * YC( ETOH ) * YC( OH )\n RXRAT( 128 ) = RKI( 128 ) * YC( KET )\n RXRAT( 129 ) = RKI( 129 ) * YC( ACET )\n RXRAT( 130 ) = RKI( 130 ) * YC( ACET ) * YC( OH )\n RXRAT( 131 ) = RKI( 131 ) * YC( PRPA ) * YC( OH )\n RXRAT( 132 ) = RKI( 132 ) * YC( PAR ) * YC( OH )\n RXRAT( 133 ) = RKI( 133 ) * YC( ROR )\n RXRAT( 134 ) = RKI( 134 ) * YC( ROR )\n RXRAT( 135 ) = RKI( 135 ) * YC( ROR ) * YC( NO2 )\n RXRAT( 136 ) = RKI( 136 ) * YC( ETHY ) * YC( OH )\n RXRAT( 137 ) = RKI( 137 ) * YC( ETH ) * YC( O )\n RXRAT( 138 ) = RKI( 138 ) * YC( ETH ) * YC( OH )\n RXRAT( 139 ) = RKI( 139 ) * YC( ETH ) * YC( O3 )\n RXRAT( 140 ) = RKI( 140 ) * YC( ETH ) * YC( NO3 )\n RXRAT( 141 ) = RKI( 141 ) * YC( OLE ) * YC( O )\n RXRAT( 142 ) = RKI( 142 ) * YC( OLE ) * YC( OH )\n RXRAT( 143 ) = RKI( 143 ) * YC( OLE ) * YC( O3 )\n RXRAT( 144 ) = RKI( 144 ) * YC( OLE ) * YC( NO3 )\n RXRAT( 145 ) = RKI( 145 ) * YC( IOLE ) * YC( O )\n RXRAT( 146 ) = RKI( 146 ) * YC( IOLE ) * YC( OH )\n RXRAT( 147 ) = RKI( 147 ) * YC( IOLE ) * YC( O3 )\n RXRAT( 148 ) = RKI( 148 ) * YC( IOLE ) * YC( NO3 )\n RXRAT( 149 ) = RKI( 149 ) * YC( ISOP ) * YC( OH )\n RXRAT( 150 ) = RKI( 150 ) * YC( ISOP ) * YC( O )\n RXRAT( 151 ) = RKI( 151 ) * YC( ISO2 ) * YC( NO )\n RXRAT( 152 ) = RKI( 152 ) * YC( ISO2 ) * YC( HO2 )\n RXRAT( 153 ) = RKI( 153 ) * YC( ISO2 ) * YC( C2O3 )\n RXRAT( 154 ) = RKI( 154 ) * YC( ISO2 ) * YC( RO2 )\n RXRAT( 155 ) = RKI( 155 ) * YC( ISO2 )\n RXRAT( 156 ) = RKI( 156 ) * YC( ISOP ) * YC( O3 )\n RXRAT( 157 ) = RKI( 157 ) * YC( ISOP ) * YC( NO3 )\n RXRAT( 158 ) = RKI( 158 ) * YC( ISPD ) * YC( OH )\n RXRAT( 159 ) = RKI( 159 ) * YC( ISPD ) * YC( O3 )\n RXRAT( 160 ) = RKI( 160 ) * YC( ISPD ) * YC( NO3 )\n RXRAT( 161 ) = RKI( 161 ) * YC( ISPD )\n RXRAT( 162 ) = RKI( 162 ) * YC( ISPX ) * YC( OH )\n RXRAT( 163 ) = RKI( 163 ) * YC( HPLD )\n RXRAT( 164 ) = RKI( 164 ) * YC( HPLD ) * YC( NO3 )\n RXRAT( 165 ) = RKI( 165 ) * YC( EPOX ) * YC( OH )\n RXRAT( 166 ) = RKI( 166 ) * YC( EPX2 ) * YC( HO2 )\n RXRAT( 167 ) = RKI( 167 ) * YC( EPX2 ) * YC( NO )\n RXRAT( 168 ) = RKI( 168 ) * YC( EPX2 ) * YC( C2O3 )\n RXRAT( 169 ) = RKI( 169 ) * YC( EPX2 ) * YC( RO2 )\n RXRAT( 170 ) = RKI( 170 ) * YC( INTR ) * YC( OH )\n RXRAT( 171 ) = RKI( 171 ) * YC( TERP ) * YC( O )\n RXRAT( 172 ) = RKI( 172 ) * YC( TERP ) * YC( OH )\n RXRAT( 173 ) = RKI( 173 ) * YC( TERP ) * YC( O3 )\n RXRAT( 174 ) = RKI( 174 ) * YC( TERP ) * YC( NO3 )\n RXRAT( 175 ) = RKI( 175 ) * YC( APIN ) * YC( O )\n RXRAT( 176 ) = RKI( 176 ) * YC( APIN ) * YC( OH )\n RXRAT( 177 ) = RKI( 177 ) * YC( APIN ) * YC( O3 )\n RXRAT( 178 ) = RKI( 178 ) * YC( APIN ) * YC( NO3 )\n RXRAT( 179 ) = RKI( 179 ) * YC( BENZENE ) * YC( OH )\n RXRAT( 180 ) = RKI( 180 ) * YC( BZO2 ) * YC( NO )\n RXRAT( 181 ) = RKI( 181 ) * YC( BZO2 ) * YC( C2O3 )\n RXRAT( 182 ) = RKI( 182 ) * YC( BZO2 ) * YC( HO2 )\n RXRAT( 183 ) = RKI( 183 ) * YC( BZO2 ) * YC( RO2 )\n RXRAT( 184 ) = RKI( 184 ) * YC( TOL ) * YC( OH )\n RXRAT( 185 ) = RKI( 185 ) * YC( TO2 ) * YC( NO )\n RXRAT( 186 ) = RKI( 186 ) * YC( TO2 ) * YC( C2O3 )\n RXRAT( 187 ) = RKI( 187 ) * YC( TO2 ) * YC( HO2 )\n RXRAT( 188 ) = RKI( 188 ) * YC( TO2 ) * YC( RO2 )\n RXRAT( 189 ) = RKI( 189 ) * YC( XYLMN ) * YC( OH )\n RXRAT( 190 ) = RKI( 190 ) * YC( NAPH ) * YC( OH )\n RXRAT( 191 ) = RKI( 191 ) * YC( XLO2 ) * YC( NO )\n RXRAT( 192 ) = RKI( 192 ) * YC( XLO2 ) * YC( HO2 )\n RXRAT( 193 ) = RKI( 193 ) * YC( XLO2 ) * YC( C2O3 )\n RXRAT( 194 ) = RKI( 194 ) * YC( XLO2 ) * YC( RO2 )\n RXRAT( 195 ) = RKI( 195 ) * YC( CRES ) * YC( OH )\n RXRAT( 196 ) = RKI( 196 ) * YC( CRES ) * YC( NO3 )\n RXRAT( 197 ) = RKI( 197 ) * YC( CRO ) * YC( NO2 )\n RXRAT( 198 ) = RKI( 198 ) * YC( CRO ) * YC( HO2 )\n RXRAT( 199 ) = RKI( 199 ) * YC( CRON ) * YC( OH )\n RXRAT( 200 ) = RKI( 200 ) * YC( CRON ) * YC( NO3 )\n RXRAT( 201 ) = RKI( 201 ) * YC( CRON )\n RXRAT( 202 ) = RKI( 202 ) * YC( XOPN )\n RXRAT( 203 ) = RKI( 203 ) * YC( XOPN ) * YC( OH )\n RXRAT( 204 ) = RKI( 204 ) * YC( XOPN ) * YC( O3 )\n RXRAT( 205 ) = RKI( 205 ) * YC( XOPN ) * YC( NO3 )\n RXRAT( 206 ) = RKI( 206 ) * YC( OPEN )\n RXRAT( 207 ) = RKI( 207 ) * YC( OPEN ) * YC( OH )\n RXRAT( 208 ) = RKI( 208 ) * YC( OPEN ) * YC( O3 )\n RXRAT( 209 ) = RKI( 209 ) * YC( OPEN ) * YC( NO3 )\n RXRAT( 210 ) = RKI( 210 ) * YC( CAT1 ) * YC( OH )\n RXRAT( 211 ) = RKI( 211 ) * YC( CAT1 ) * YC( NO3 )\n RXRAT( 212 ) = RKI( 212 ) * YC( OPO3 ) * YC( NO )\n RXRAT( 213 ) = RKI( 213 ) * YC( OPO3 ) * YC( NO2 )\n RXRAT( 214 ) = RKI( 214 ) * YC( OPAN )\n RXRAT( 215 ) = RKI( 215 ) * YC( OPO3 ) * YC( HO2 )\n RXRAT( 216 ) = RKI( 216 ) * YC( OPO3 ) * YC( C2O3 )\n RXRAT( 217 ) = RKI( 217 ) * YC( OPO3 ) * YC( RO2 )\n RXRAT( 218 ) = RKI( 218 ) * YC( OPAN ) * YC( OH )\n RXRAT( 219 ) = RKI( 219 ) * YC( PANX ) * YC( OH )\n RXRAT( 220 ) = RKI( 220 ) * YC( ECH4 ) * YC( OH )\n RXRAT( 221 ) = RKI( 221 ) * YC( XPRP )\n RXRAT( 222 ) = RKI( 222 ) * YC( XPRP )\n RXRAT( 223 ) = RKI( 223 ) * YC( XPAR )\n RXRAT( 224 ) = RKI( 224 ) * YC( XPAR )\n RXRAT( 225 ) = RKI( 225 ) * YC( NO2 ) * YC( OH )\n RXRAT( 226 ) = RKI( 226 ) * YC( CL2 )\n RXRAT( 227 ) = RKI( 227 ) * YC( HOCL )\n RXRAT( 228 ) = RKI( 228 ) * YC( CL ) * YC( O3 )\n RXRAT( 229 ) = RKI( 229 ) * YC( CLO ) * YC( CLO )\n RXRAT( 230 ) = RKI( 230 ) * YC( CLO ) * YC( NO )\n RXRAT( 231 ) = RKI( 231 ) * YC( CLO ) * YC( HO2 )\n RXRAT( 232 ) = RKI( 232 ) * YC( CLO ) * YC( MEO2 )\n RXRAT( 233 ) = RKI( 233 ) * YC( OH ) * YC( FMCL )\n RXRAT( 234 ) = RKI( 234 ) * YC( FMCL )\n RXRAT( 235 ) = RKI( 235 ) * YC( CL )\n RXRAT( 236 ) = RKI( 236 ) * YC( CL ) * YC( PAR )\n RXRAT( 237 ) = RKI( 237 ) * YC( CL ) * YC( PRPA )\n RXRAT( 238 ) = RKI( 238 ) * YC( CL ) * YC( ETHA )\n RXRAT( 239 ) = RKI( 239 ) * YC( CL ) * YC( ETH )\n RXRAT( 240 ) = RKI( 240 ) * YC( CL ) * YC( OLE )\n RXRAT( 241 ) = RKI( 241 ) * YC( CL ) * YC( IOLE )\n RXRAT( 242 ) = RKI( 242 ) * YC( CL ) * YC( ISOP )\n RXRAT( 243 ) = RKI( 243 ) * YC( CL ) * YC( FORM )\n RXRAT( 244 ) = RKI( 244 ) * YC( CL ) * YC( ALD2 )\n RXRAT( 245 ) = RKI( 245 ) * YC( CL ) * YC( ALDX )\n RXRAT( 246 ) = RKI( 246 ) * YC( CL ) * YC( MEOH )\n RXRAT( 247 ) = RKI( 247 ) * YC( CL ) * YC( ETOH )\n RXRAT( 248 ) = RKI( 248 ) * YC( HCL ) * YC( OH )\n RXRAT( 249 ) = RKI( 249 ) * YC( CL ) * YC( TOL )\n RXRAT( 250 ) = RKI( 250 ) * YC( CL ) * YC( XYLMN )\n RXRAT( 251 ) = RKI( 251 ) * YC( CL ) * YC( NAPH )\n RXRAT( 252 ) = RKI( 252 ) * YC( CLNO2 )\n RXRAT( 253 ) = RKI( 253 ) * YC( CLO ) * YC( NO2 )\n RXRAT( 254 ) = RKI( 254 ) * YC( CLNO3 )\n RXRAT( 255 ) = RKI( 255 ) * YC( CLNO3 )\n RXRAT( 256 ) = RKI( 256 ) * YC( CLNO3 )\n RXRAT( 257 ) = RKI( 257 ) * YC( CLNO3 )\n RXRAT( 258 ) = RKI( 258 ) * YC( TOLRO2 ) * YC( NO )\n RXRAT( 259 ) = RKI( 259 ) * YC( TOLRO2 ) * YC( HO2 )\n RXRAT( 260 ) = RKI( 260 ) * YC( XYLRO2 ) * YC( NO )\n RXRAT( 261 ) = RKI( 261 ) * YC( XYLRO2 ) * YC( HO2 )\n RXRAT( 262 ) = RKI( 262 ) * YC( BENZRO2 ) * YC( NO )\n RXRAT( 263 ) = RKI( 263 ) * YC( BENZRO2 ) * YC( HO2 )\n RXRAT( 264 ) = RKI( 264 ) * YC( SESQ ) * YC( O3 )\n RXRAT( 265 ) = RKI( 265 ) * YC( SESQ ) * YC( OH )\n RXRAT( 266 ) = RKI( 266 ) * YC( SESQ ) * YC( NO3 )\n RXRAT( 267 ) = RKI( 267 ) * YC( PAHRO2 ) * YC( NO )\n RXRAT( 268 ) = RKI( 268 ) * YC( PAHRO2 ) * YC( HO2 )\n RXRAT( 269 ) = RKI( 269 ) * YC( SOAALK ) * YC( OH )\n RXRAT( 270 ) = RKI( 270 ) * YC( NTR2 )\n RXRAT( 271 ) = RKI( 271 ) * YC( N2O5 )\n RXRAT( 272 ) = RKI( 272 ) * YC( N2O5 )\n RXRAT( 273 ) = RKI( 273 ) * YC( H2NO3PIJ )\n RXRAT( 274 ) = RKI( 274 ) * YC( H2NO3PK )\n RXRAT( 275 ) = RKI( 275 ) * YC( H2NO3PIJ ) * YC( ACLI )\n RXRAT( 276 ) = RKI( 276 ) * YC( H2NO3PIJ ) * YC( ACLJ )\n RXRAT( 277 ) = RKI( 277 ) * YC( H2NO3PK ) * YC( ACLK )\n RXRAT( 278 ) = RKI( 278 ) * YC( NO2 )\n! RXRAT( 279 ) = RKI( 279 ) * YC( O3 )\n RXRAT( 280 ) = RKI( 280 ) * YC( EPOX )\n RXRAT( 281 ) = RKI( 281 ) * YC( IEPOXP ) * YC( ASO4J )\n RXRAT( 282 ) = RKI( 282 ) * YC( IEPOXP )\n RXRAT( 283 ) = RKI( 283 ) * YC( GLY )\n RXRAT( 284 ) = RKI( 284 ) * YC( MGLY )\n RXRAT( 285 ) = RKI( 285 ) * YC( TERPNRO2 ) * YC( NO )\n RXRAT( 286 ) = RKI( 286 ) * YC( TERPNRO2 ) * YC( HO2 )\n RXRAT( 287 ) = RKI( 287 ) * YC( TERPNRO2 ) * YC( NO3 )\n RXRAT( 288 ) = RKI( 288 ) * YC( TERPNRO2 ) * YC( RO2 )\n RXRAT( 289 ) = RKI( 289 ) * YC( MTNO3 ) * YC( CL )\n RXRAT( 290 ) = RKI( 290 ) * YC( MTNO3 ) * YC( OH )\n RXRAT( 291 ) = RKI( 291 ) * YC( MTNO3 )\n RXRAT( 292 ) = RKI( 292 ) * YC( AMTNO3J )\n RXRAT( 293 ) = RKI( 293 ) * YC( AAVB2J )\n RXRAT( 294 ) = RKI( 294 ) * YC( AAVB3J )\n RXRAT( 295 ) = RKI( 295 ) * YC( AAVB4J )\n RXRAT( 296 ) = RKI( 296 ) * YC( AISO1J )\n RXRAT( 297 ) = RKI( 297 ) * YC( AISO2J )\n RXRAT( 298 ) = RKI( 298 ) * YC( ASQTJ )\n RXRAT( 299 ) = RKI( 299 ) * YC( APOCI ) * YC( OH )\n RXRAT( 300 ) = RKI( 300 ) * YC( APNCOMI ) * YC( OH )\n RXRAT( 301 ) = RKI( 301 ) * YC( APOCJ ) * YC( OH )\n RXRAT( 302 ) = RKI( 302 ) * YC( APNCOMJ ) * YC( OH )\n RXRAT( 303 ) = RKI( 303 ) * YC( PCVOC ) * YC( OH )\n RXRAT( 304 ) = RKI( 304 ) * YC( VLVPO1 ) * YC( OH )\n RXRAT( 305 ) = RKI( 305 ) * YC( VSVPO1 ) * YC( OH )\n RXRAT( 306 ) = RKI( 306 ) * YC( VSVPO2 ) * YC( OH )\n RXRAT( 307 ) = RKI( 307 ) * YC( VSVPO3 ) * YC( OH )\n RXRAT( 308 ) = RKI( 308 ) * YC( VIVPO1 ) * YC( OH )\n RXRAT( 309 ) = RKI( 309 ) * YC( VLVOO1 ) * YC( OH )\n RXRAT( 310 ) = RKI( 310 ) * YC( VLVOO2 ) * YC( OH )\n RXRAT( 311 ) = RKI( 311 ) * YC( VSVOO1 ) * YC( OH )\n RXRAT( 312 ) = RKI( 312 ) * YC( VSVOO2 ) * YC( OH )\n RXRAT( 313 ) = RKI( 313 ) * YC( VSVOO3 ) * YC( OH )\n RXRAT( 314 ) = RKI( 314 ) * YC( FORM_PRIMARY ) * YC( OH )\n RXRAT( 315 ) = RKI( 315 ) * YC( FORM_PRIMARY ) * YC( NO3 )\n RXRAT( 316 ) = RKI( 316 ) * YC( FORM_PRIMARY ) * YC( O )\n RXRAT( 317 ) = RKI( 317 ) * YC( FORM_PRIMARY )\n RXRAT( 318 ) = RKI( 318 ) * YC( FORM_PRIMARY )\n RXRAT( 319 ) = RKI( 319 ) * YC( FORM_PRIMARY ) * YC( CL )\n RXRAT( 320 ) = RKI( 320 ) * YC( ALD2_PRIMARY ) * YC( OH )\n RXRAT( 321 ) = RKI( 321 ) * YC( ALD2_PRIMARY ) * YC( NO3 )\n RXRAT( 322 ) = RKI( 322 ) * YC( ALD2_PRIMARY ) * YC( O )\n RXRAT( 323 ) = RKI( 323 ) * YC( ALD2_PRIMARY )\n RXRAT( 324 ) = RKI( 324 ) * YC( ALD2_PRIMARY ) * YC( CL )\n RXRAT( 325 ) = RKI( 325 ) * YC( BUTADIENE13 ) * YC( OH )\n RXRAT( 326 ) = RKI( 326 ) * YC( BUTADIENE13 ) * YC( O3 )\n RXRAT( 327 ) = RKI( 327 ) * YC( BUTADIENE13 ) * YC( NO3 )\n RXRAT( 328 ) = RKI( 328 ) * YC( BUTADIENE13 ) * YC( CL )\n RXRAT( 329 ) = RKI( 329 ) * YC( ACRO_PRIMARY ) * YC( OH )\n RXRAT( 330 ) = RKI( 330 ) * YC( ACRO_PRIMARY ) * YC( O3 )\n RXRAT( 331 ) = RKI( 331 ) * YC( ACRO_PRIMARY ) * YC( NO3 )\n RXRAT( 332 ) = RKI( 332 ) * YC( ACRO_PRIMARY )\n RXRAT( 333 ) = RKI( 333 ) * YC( ACRO_PRIMARY ) * YC( CL )\n RXRAT( 334 ) = RKI( 334 ) * YC( ACROLEIN ) * YC( OH )\n RXRAT( 335 ) = RKI( 335 ) * YC( ACROLEIN ) * YC( O3 )\n RXRAT( 336 ) = RKI( 336 ) * YC( ACROLEIN ) * YC( NO3 )\n RXRAT( 337 ) = RKI( 337 ) * YC( ACROLEIN )\n RXRAT( 338 ) = RKI( 338 ) * YC( ACROLEIN ) * YC( CL )\n RXRAT( 339 ) = RKI( 339 ) * YC( TOLU ) * YC( OH )\n RXRAT( 340 ) = RKI( 340 ) * YC( TOLU ) * YC( CL )\n RXRAT( 341 ) = RKI( 341 ) * YC( HG ) * YC( O3 )\n RXRAT( 342 ) = RKI( 342 ) * YC( HG ) * YC( CL2 )\n RXRAT( 343 ) = RKI( 343 ) * YC( HG ) * YC( H2O2 )\n RXRAT( 344 ) = RKI( 344 ) * YC( HG ) * YC( OH )\n RXRAT( 345 ) = RKI( 345 ) * YC( HG ) * YC( CL )\n RXRAT( 346 ) = RKI( 346 ) * YC( DMS ) * YC( OH )\n RXRAT( 347 ) = RKI( 347 ) * YC( DMS ) * YC( OH )\n RXRAT( 348 ) = RKI( 348 ) * YC( DMS ) * YC( NO3 )\n RXRAT( 349 ) = RKI( 349 ) * YC( DMS ) * YC( CL )\n\n\n RETURN\n\n END\n" }, { "path": "CCTM/src/gas/ebi_cb6r5_ae7_aq/hrsolver.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\n SUBROUTINE HRSOLVER( JDATE, JTIME, C, R, L )\n\n\nC**********************************************************************\nC\nC FUNCTION: EBI solver\nC\nC PRECONDITIONS: For the CB6R5_AE7_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: HRRATES, HRG1, HRG2, HRG3\nC HRG4, HRPRODLOSS\nC DEGRADE\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 8, 2022\nC 21 Jun 10 J.Young: convert for Namelist redesign\nC 18 Jul 14 B.Hutzell: revised 1) to use the RXNS_DATA and RXNS_FUNCTION\nC modules instead of include files and 2) to use\nC real(8) variables\nC**********************************************************************\n\n USE RUNTIME_VARS\n USE UTILIO_DEFN\n USE RXNS_DATA\n USE HRDATA\n USE PA_IRR_MODULE\n#ifdef isam\n USE SA_IRR_DEFN\n#endif\n#ifdef sens\n USE DDM3D_CHEM, ONLY: YCDDM\n USE CGRID_SPCS, ONLY: GC_SPC\n#endif\n USE DEGRADE_ROUTINES, ONLY : DEGRADE, SA_DEGRADE_STEP\n\n\n IMPLICIT NONE\n\nC..INCLUDES:\n\n\nC..ARGUMENTS:\n INTEGER, INTENT( IN ) :: JDATE ! Current date (YYYYDDD)\n INTEGER, INTENT( IN ) :: JTIME ! Current time (HHMMSS)\n INTEGER, INTENT( IN ) :: C, R, L ! Cell col, row, lev\n\nC..PARAMETERS:\n INTEGER, PARAMETER :: MXBKUPS = 5 ! Max no. of back-ups allowed\n INTEGER, PARAMETER :: STAT = 1 ! Status code\n\n REAL( 8 ), PARAMETER :: DTMIN = 1.0D-08 ! Smallest time step allowed, min\n REAL( 8 ), PARAMETER :: EPSLON = 1.0D-30 ! Small number\n REAL( 8 ), PARAMETER :: MAXPRED = 1.0D+03 ! Upper limit on predicted conc\n REAL( 8 ), PARAMETER :: ZERO = 1.0D-40 ! effective zero\n REAL( 8 ), PARAMETER :: FLOOR = 1.0D-08 ! Min conc for RTOL\n\nC..EXTERNAL FUNCTIONS:\n\n\nC..SAVED LOCAL VARIABLES:\n CHARACTER( 16 ), SAVE :: PNAME = 'HRSOLVER' ! Program name\n LOGICAL, SAVE :: LFIRST = .TRUE. ! Flag for first call\n LOGICAL, ALLOCATABLE, SAVE :: LEBISPFL( : ) ! Convergence Error Flag for EBI species\n LOGICAL, ALLOCATABLE, SAVE :: MAXCONC ( : ) ! MAXCONC ERROR Flag for EBI species\n LOGICAL, ALLOCATABLE, SAVE :: NOTMAX ( : ) ! Initial concentration not greater than MAXPRED\n\n REAL( 8 ), ALLOCATABLE, SAVE :: RERROR ( : ) ! Relative Error\n REAL( 8 ), ALLOCATABLE, SAVE :: AERROR ( : ) ! Absolute Error\n\n\nC..SCRATCH LOCAL VARIABLES:\n\n CHARACTER( 132 ) :: MSG ! Message text\n\n INTEGER CELLNO ! Cell no. fo debug output\n INTEGER ITER ! Loop index for Backward Euler iterations\n INTEGER S ! Loop index for species\n INTEGER SP ! Imbedded loop index for species\n INTEGER NEBI ! Loop index for time steps\n INTEGER NINR ! No. of inner time steps\n#ifdef hrdebug\n INTEGER N ! Loop index\n#endif\n INTEGER M ! species index\n INTEGER EBI ! Loop index\n INTEGER NBKUPS ! No. of times time step reduced\n INTEGER ERR ! Allocate error flag\n\n\n LOGICAL LEBI_CONV ! Flag for EBI convergence\n LOGICAL MXFL ! hit MAXPRED flag\n\n REAL( 8 ) DTC ! Time step to take\n REAL( 8 ) DTG ! Time step in degrade routines, sec\n REAL( 8 ) FXDLOSS ! Total loss due to negative stoichiometry\n REAL( 8 ) VARLOSS ! Loss excluding negative stoichiometry\n\n\n#ifdef hrdebug\n CHARACTER( 8 ) :: NOTE ! Convergence fail note\n\n INTEGER COL ! Column to generate deboug output for\n INTEGER ROW ! Row to generate deboug output for\n INTEGER LEV ! Level to generate deboug output for\n INTEGER DBGOUT ! Output unit for debu outpt\n\n LOGICAL LDEBUG ! Debug output flag\n LOGICAL, SAVE :: LOPEN = .FALSE.\n#endif\n\n\nC**********************************************************************\n\n\n IF( LFIRST ) THEN\n LFIRST = .FALSE.\n\n ALLOCATE ( LEBISPFL( NUMB_MECH_SPC ), STAT = ERR )\n IF ( ERR .NE. 0 ) THEN\n MSG = 'Error allocating LEBISPFL'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n END IF\n\n ALLOCATE ( MAXCONC( NUMB_MECH_SPC ), STAT = ERR )\n IF ( ERR .NE. 0 ) THEN\n MSG = 'Error allocating MAXCONC'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n END IF\n\n ALLOCATE ( NOTMAX( NUMB_MECH_SPC ), STAT = ERR )\n IF ( ERR .NE. 0 ) THEN\n MSG = 'Error allocating NOTMAX'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n END IF\n\n ALLOCATE ( RERROR( NUMB_MECH_SPC ), STAT = ERR )\n IF ( ERR .NE. 0 ) THEN\n MSG = 'Error allocating ERROR'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n END IF\n\n ALLOCATE ( AERROR( NUMB_MECH_SPC ), STAT = ERR )\n IF ( ERR .NE. 0 ) THEN\n MSG = 'Error allocating AERROR'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n END IF\n\n END IF\n\n#ifdef sens\n YCDDM = 0.0D0\n#endif\n\nc++++++++++++++++++++++++Debug section++++++++++++++++++++++++++++++++++\n#ifdef hrdebug\n COL = 0\n ROW = 0\n LEV = 0\n IF( C .EQ. COL .AND. R .EQ. ROW .AND. L .EQ. LEV ) THEN\nc IF( JTIME .EQ. 160000 ) THEN\n LDEBUG = .TRUE.\n ELSE\n LDEBUG = .FALSE.\n END IF\n\n IF( LDEBUG ) THEN\n IF( .NOT. LOPEN ) THEN\n DBGOUT = JUNIT()\n OPEN( UNIT = DBGOUT, FILE = 'debug.out' )\n LOPEN = .TRUE.\n END IF\n\n WRITE( DBGOUT, '( A, 2I4, I3, 1X, I7, 1X, I6 ) ' )\n & 'Debug output for col/row/lev/date/time:',\n & C, R, L, JDATE, JTIME\n WRITE( DBGOUT, '( A, F7.2) ' )\n & 'EBI_TMSTEP = ', EBI_TMSTEP\n WRITE( DBGOUT, '( A )' ) 'Starting concs and rate constants'\n DO N = 1, NUMB_MECH_SPC\n WRITE( DBGOUT, '( A, I3, 1X, A, 1X, 1PD13.5 )' )\n & 'SP ',N, CHEMISTRY_SPC( N ), YC( N )\n END DO\n DO N = 1, N_RXNS\n WRITE( DBGOUT, '( A, I3, 1X, 1PD13.5 )' )\n & 'RKI ', N, RKI( N )\n END DO\n END IF\n#endif\nc++++++++++++++++++++++++Debug section++++++++++++++++++++++++++++++++++\n\n\n\n DTC = EBI_TMSTEP\n\n N_EBI_IT = 0\n NBKUPS = 0\n N_INR_STEPS = 1\n NEBI = 1\n LEBI_CONV = .TRUE.\n#ifdef isam\n UPDATE_SOLD = .FALSE.\n UPDATE_PROBABILITIES = .TRUE.\n CALL SA_IRR_UNBLOCKED ( .TRUE., RKI, YC, DTC )\n#endif\n\n\n DO S = 1, NUMB_MECH_SPC\n IF( YC( S ) .LE. MAXPRED )THEN\n NOTMAX( S ) = .TRUE.\n ELSE\n NOTMAX( S ) = .FALSE.\n WRITE(LOGDEV,91000)C, R, L, CHEMISTRY_SPC(S), YC(S)\n END IF\n END DO\n\n! Initial PA_IRR\n IF( CALL_IRR ) CALL PA_IRR ( .TRUE., RKI, YC, DTC )\n SA_DEGRADE_STEP = 0\n TSTEP_EBI: DO ! EBI time-step loop\n\n SUBSTEP_EBI: DO NINR = 1, N_INR_STEPS ! time substeps loop\n! first attempt is sub time-step equals EBI time-step\n\n IF( LEBI_CONV ) YC0 = YC ! Set ICs for EBI iterations\n\n ITER_SUBSTEP: DO ITER = 1, NEBITER ! iteration loop solving for sub time-step\n\n\n N_EBI_IT = N_EBI_IT + 1\n CALL HRRATES\n\nc++++++++++++++++++++++++Debug section++++++++++++++++++++++++++++++++++\n#ifdef hrdebug\n IF( LDEBUG ) THEN\n WRITE( DBGOUT, '( A, I5 )' ) 'ITER NO ', ITER\n WRITE( DBGOUT, '( A, F12.5 )' )\n & ' DTC=', DTC\n\n IF( ITER .EQ. 1 ) THEN\n WRITE( DBGOUT, '( A )' ) 'Starting reaction rates'\n DO N = 1, N_RXNS\n WRITE( DBGOUT, '( A, I3, 1X, 1PD13.5 )' )\n & 'RXRAT ', N, RXRAT( NCELL, N )\n END DO\n END IF\n END IF\n#endif\nc++++++++++++++++++++++++Debug section++++++++++++++++++++++++++++++++++\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Call routines to compute concentrations of groups 1-4\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n CALL HRG1( DTC )\n\n CALL HRG2( DTC )\n\n CALL HRG3( DTC )\n\n CALL HRG4( DTC )\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Do the Euler backward method\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n CALL HRPRODLOSS\n\n DO EBI = 1, N_EBISP\n S = EBISP( EBI )\n YCP( S ) = YC( S )*( ( YC0( S ) + PROD( S ) * DTC )\n & / ( YC( S ) + LOSS( S ) * DTC ) )\n END DO\n\nc..Special treatment of PAR because of negative product stoichiometry\n IF( PNEG( PAR ) .GT. 0.0D0 ) THEN\n FXDLOSS = PNEG( PAR ) * DTC\n IF( FXDLOSS .GE. YC0( PAR ) + PROD( PAR ) * DTC ) THEN\n YCP( PAR ) = 0.0D0\n ELSE\n VARLOSS = MAX( LOSS( PAR ) - PNEG( PAR ) , ZERO )\n YCP( PAR ) = ( YC0( PAR ) + PROD( PAR ) * DTC - \n & FXDLOSS ) / ( 1.0D0 + VARLOSS * DTC / YC( PAR ) )\n END IF\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Check for convergence\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n LEBI_CONV = .TRUE.\n MXFL = .FALSE.\n\n DO S = 1, NUMB_MECH_SPC\n LEBISPFL( S ) = .FALSE.\n YCP( S ) = MAX( ZERO, YCP( S ) )\n AERROR( S ) = MAX( ABS( YC(S)-YCP(S) ), EPSLON )\n RERROR( S ) = AERROR( S ) / MAX( FLOOR, ABS( YC(S)+YCP(S) ) )\n IF( RERROR( S ) .GT. RTOL(S) .OR. AERROR( S ) .GT. 1.0D-5 )THEN\n LEBI_CONV = .FALSE.\n LEBISPFL( S ) = .TRUE.\n END IF\nc..test if predictions growing too large\n IF( YCP( S ) .GT. MAXPRED .AND. NOTMAX( S ) ) THEN\n MXFL = .TRUE.\n LEBI_CONV = .FALSE.\n LEBISPFL( S ) = .TRUE.\n END IF\n YC( S ) = YCP( S )\n END DO\nc..test if predictions growing too large, abort interation loop\n IF( MXFL ) EXIT ITER_SUBSTEP\n\nc++++++++++++++++++++++++Debug section++++++++++++++++++++++++++++++++++\n#ifdef hrdebug\n IF( LDEBUG ) THEN\n WRITE( DBGOUT, '( A, I5 )' ) 'Concs after ITER= ', ITER\n DO S = 1, NUMB_MECH_SPC\n\n IF( LEBISPFL( S ) ) THEN\n NOTE = 'CONV FAIL'\n ELSE\n NOTE = ' '\n END IF\n\n WRITE( DBGOUT, '( I3, 1X, A, 1PD13.5, 1X, A )' )\n & S, CHEMISTRY_SPC( S ), YC( S ), NOTE\n END DO\n IF( LEBI_CONV ) WRITE( DBGOUT, '( A )' )\n & '****Convergence achieved'\n END IF\n#endif\nc++++++++++++++++++++++++Debug section++++++++++++++++++++++++++++++++++\n\n IF( LEBI_CONV ) THEN\n\n DTG = 60.0D0 * DTC\n DO S = 1, NUMB_MECH_SPC\n M = CGRID_INDEX( S )\n YCCELL( M ) = YC( S )\n END DO\n#if defined(isam) || defined(verbose_isam)\n SA_DEGRADE_STEP = SA_DEGRADE_STEP + 1\n#endif\n IF( CALL_DEG )CALL DEGRADE(YCCELL, DTG, JDATE, JTIME) ! :WTH Call degradation routine\n\n IF( CALL_IRR ) CALL PA_IRR ( .FALSE., RKI, YC, DTC )\n#ifdef isam\n IF( NEBI .EQ. N_EBI_STEPS )UPDATE_SOLD = .TRUE.\n CALL SA_IRR_UNBLOCKED ( .FALSE., RKI, YC, DTC )\n UPDATE_PROBABILITIES = .FALSE.\n#endif\n\n#ifdef sens\nC Update the sum for the average over the chemistry integration\n YCDDM = YCDDM\n & + ( ( 0.5D0 * DTC ) * ( YC + YC0 ) )\n#endif\n\n CYCLE SUBSTEP_EBI ! solve for next sub time-step\n\n END IF\n\n END DO ITER_SUBSTEP\n! interating for substep failed, attempt to increase number of sub time-steps\n NBKUPS = NBKUPS + 1\n\n! IF( NBKUPS .LE. MXBKUPS ) THEN\n IF ( DTC .GT. DTMIN ) THEN\n! reset YC and cut sub time-step in half\n IF ( MXFL ) THEN\n WRITE( LOGDEV, 92008 ) NBKUPS\n WRITE( LOGDEV, 92009 ) C+PECOL_OFFSET, R+PEROW_OFFSET, L\n DO S = 1, NUMB_MECH_SPC\n IF( LEBISPFL( S ) )WRITE( LOGDEV, 92010 )TRIM( CHEMISTRY_SPC( S ) ),\n & YC0(S), YCP(S)\n END DO\n ELSE\n WRITE( LOGDEV, 92000 ) C+PECOL_OFFSET, R+PEROW_OFFSET, L, NBKUPS\n DO S = 1, NUMB_MECH_SPC\n IF( LEBISPFL( S ) )WRITE( LOGDEV, 92010 )TRIM( CHEMISTRY_SPC( S ) ),\n & YC0(S), YCP(S)\n END DO\n END IF\n\n YC = YC0 ! Set ICs for EBI time-step\n\n DTC = 0.5D0 * DTC\n\n N_INR_STEPS = 2 ** NBKUPS\n\n EXIT SUBSTEP_EBI\n\n ELSE\n\n WRITE( LOGDEV, 92040 ) C+PECOL_OFFSET, R+PEROW_OFFSET, L\n\n WRITE( LOGDEV, 92060 )\n DO S = 1, NUMB_MECH_SPC\n IF( LEBISPFL( S ) ) WRITE( LOGDEV, 92080 ) CHEMISTRY_SPC( S ),\n & YC0(S), YCP(S)\n END DO\n\n MSG = 'ERROR: Stopping because of EBI convergence failures'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT2 )\n\n END IF\n\n END DO SUBSTEP_EBI\n\n IF( LEBI_CONV )THEN\n NEBI = 1 + NEBI\n! test for completing final EBI time-step\n IF( NEBI .GT. N_EBI_STEPS )EXIT TSTEP_EBI\n! test whether backups were done\n IF( NBKUPS .EQ. 0 )CYCLE TSTEP_EBI\n! Reset NBKUPS, N_INR_STEPS and sub-time step\n NBKUPS = 0\n N_INR_STEPS = 1\n DTC = EBI_TMSTEP\n END IF\n\n END DO TSTEP_EBI\n\n#ifdef sens\n! Compute average over integration and filter values\n YCDDM = YCDDM / CHEMSTEP\n WHERE ( YCDDM .LT. 1.0D-25 ) YCDDM = 0.0D0\n#endif\n\n\n RETURN\n\n\n91000 FORMAT( 'WARNING: EBI solver in cell (',2(I4,','),I4,') Init.Conc. for ',\n & A16, ' = ', ES12.4,' ppmV')\n\n92000 FORMAT( 'WARNING: EBI Euler convergence failure' /\n & ' Reducing EBI time step because of ',\n & ' convergence failure in ' /\n & ' Cell (', I3, ', ', I3, ', ', I3, ')' ,\n & ' Solution Attempt #', I2 /\n & ' Below Species Causing Error: Init.Conc, Pred.Conc.' )\n\n92008 FORMAT( 'WARNING: At solution attempt #', I2 )\n92009 FORMAT( 'WARNING: EBI Euler convergence failure' /\n & ' Reducing EBI time step because of ',\n & ' MAXPRED failure in ' /\n & ' Cell (', I3, ', ', I3, ', ', I3, ')' ,\n & ' for the below species: : Init.Conc, Pred.Conc.')\n92010 FORMAT( A16, 2(1X,ES12.4), ' ppmV' )\n\n92040 FORMAT( 'ERROR: Max number of EBI time step reductions exceeded'\n & / ' Convergence failure for cell (', I3, ', ', I3,\n & ', ', I3, ')' )\n\n92060 FORMAT( ' Convergence failure for the following species:',\n & 'Init.Conc, Pred.Conc.' )\n\n92080 FORMAT( 10X, A, 2(1X,ES12.4), ' ppmV ' )\n\n92061 FORMAT( ' Convergence failure for the following species:',\n & 'Init.Conc, Pred.Conc.,Rel.Error,' )\n\n92081 FORMAT( 10X, A, 2(1X,ES12.4), ' ppmV ', ES12.4,'%' )\n\n END\n" }, { "path": "CCTM/src/gas/ebi_cb6r5m_ae7_aq/hrdata_mod.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n MODULE HRDATA\n\nC*************************************************************************\nC\nC FUNCTION: Mechanism & solver data for EBI solver\nC\nC PRECONDITIONS: For the CB6R5M_AE7_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Apr 21, 2022\nC\nC 18 Jul 14 B.Hutzell: revised to use real(8) variables for solution\nC*************************************************************************\n\nc..EBI solver fixed parameters\n INTEGER, PARAMETER :: NEBITER = 1000 ! No. of iterations for EBI\n INTEGER, PARAMETER :: MAX_CELLS_EBI = 1 ! max # cells in local conc arrays\n REAL( 8 ), PARAMETER :: DELTAT = 1.250D+00 ! EBI time step (min)\n\nc..Mechanism specific variables\n INTEGER N_SPEC ! No. of species in mechanism\n INTEGER N_RXNS ! No. of reactions in mechanism\n INTEGER N_EBISP ! No. of species solved by EBI\n INTEGER NING1 ! No. of species in group 1\n INTEGER NING2 ! No. of species in group 2\n INTEGER N_SPCL_RKS ! No. of special rate constants\n INTEGER N_ACTSP ! No. of species in mechanism (non-ss spec)\n INTEGER NCELL ! cell number in EBI Block\n\nc..Control flags\n LOGICAL L_AE_VRSN ! Flag for aerosol version of mech\n LOGICAL L_AQ_VRSN ! Flag for aqueous chemistry version of mech\n LOGICAL CALL_IRR ! Flag initializing for IRR and calling PA_IRR\n\n ! SWITCH for calling DEGRADE routine\n LOGICAL, SAVE :: CALL_DEG = .TRUE.\n\nc..Miscellaneous variables\n INTEGER N_EBI_IT ! No. of iterations for EBI\n INTEGER N_EBI_STEPS ! No. of time steps for EBI\n INTEGER N_INR_STEPS ! No. of inner time steps for EBI\n INTEGER PECOL_OFFSET ! Local Column Offset for processor\n INTEGER PEROW_OFFSET ! Local Column Offset for processor\n \n INTEGER, SAVE :: MODEL_SPECIES ! No. of species in CGRID\n\n REAL( 8 ) EBI_TMSTEP ! Time step for EBI loops (min)\n REAL( 8 ) CHEMSTEP ! Chemistry integration interval (min)\n\nc...Allocatable arrays\n INTEGER, ALLOCATABLE :: EBISP( : ) ! Index of EBI species\n INTEGER, ALLOCATABLE :: SSASP( : ) ! Index of ss species\n INTEGER, ALLOCATABLE :: ACTSP( : ) ! Index of active species\n INTEGER, ALLOCATABLE :: IOLD2NEW( :,: ) ! YC species map, used if NSPECIAL > 0\n\n REAL( 8 ), ALLOCATABLE :: RKI( : ) ! Rate constants\n REAL( 8 ), ALLOCATABLE :: RKI_SAV( :, : ) ! Saved values of RKI for SS species calcs\n\n REAL( 8 ), ALLOCATABLE :: YC ( : ) ! Species concentrations\n REAL( 8 ), ALLOCATABLE :: YC0( : ) ! Species concentrations\n REAL( 8 ), ALLOCATABLE :: YCP( : ) ! Species concentrations\n REAL( 8 ), ALLOCATABLE :: SYC( :, : ) ! Species concentrations\n\n REAL, ALLOCATABLE :: FORWARD_CONV( : ) ! CGRID to CHEM Species conversion factor\n REAL, ALLOCATABLE :: REVERSE_CONV( : ) ! CHEM to CGRID Species conversion factor\n\n REAL( 8 ), ALLOCATABLE :: RXRAT( : ) ! Reaction rates\n REAL( 8 ), ALLOCATABLE :: RTOL( : ) ! Species tolerances\n REAL( 8 ), ALLOCATABLE :: YCCELL( : ) ! ALL Species in cgrid\n REAL( 8 ), ALLOCATABLE :: PROD( : ) ! Prod of species\n REAL( 8 ), ALLOCATABLE :: LOSS( : ) ! Loss of species\n REAL( 8 ), ALLOCATABLE :: PNEG( : )! Negative production rates\n\n REAL, ALLOCATABLE :: PRES( :, :, : ) ! pressure (Pa)\n REAL, ALLOCATABLE :: QV ( :, :, : ) ! water vapor (Kg/Kg air)\n REAL, ALLOCATABLE :: TA ( :, :, : ) ! temperature (K)\n\n REAL, ALLOCATABLE :: SEAICE ( :, :) ! fractional seaice cover, [-]\n REAL, ALLOCATABLE :: DENS( :, :, : ) ! mass density (Kg/m^3)\n\n REAL, ALLOCATABLE :: SEAWATER_ZONE ( :,: ) ! fractional area of OPEN+SURF\n LOGICAL, ALLOCATABLE :: LFLAGIRR ( :,:,: ) ! Conduct IRR for cell\n\n REAL( 8 ), ALLOCATABLE :: ATMPRES ( : ) ! Cell pressure, Atm\n! REAL( 8 ), ALLOCATABLE :: PRESCELL( : ) ! Cell pressure, Pa\n REAL( 8 ), ALLOCATABLE :: H2O ( : ) ! Cell H2O mixing ratio (ppmV)\n REAL( 8 ), ALLOCATABLE :: TEMP ( : ) ! Cell Temperature\n REAL( 8 ), ALLOCATABLE :: DENSITY ( : ) ! Cell mass density (Kg/m3)\n REAL( 8 ), ALLOCATABLE :: HET ( :, : ) ! cell heterogeneous reaction rates\n REAL( 8 ), ALLOCATABLE :: RJIN ( :, : ) ! J-values for a cell\n REAL( 8 ), ALLOCATABLE :: SEAWATER ( : ) ! fractional area of OPEN+SURF for specific cell\n\nc..Species indices\n INTEGER, PARAMETER :: NO2 = 1\n INTEGER, PARAMETER :: NO = 2\n INTEGER, PARAMETER :: O = 3\n INTEGER, PARAMETER :: O3 = 4\n INTEGER, PARAMETER :: NO3 = 5\n INTEGER, PARAMETER :: O1D = 6\n INTEGER, PARAMETER :: OH = 7\n INTEGER, PARAMETER :: HO2 = 8\n INTEGER, PARAMETER :: H2O2 = 9\n INTEGER, PARAMETER :: N2O5 = 10\n INTEGER, PARAMETER :: HNO3 = 11\n INTEGER, PARAMETER :: HONO = 12\n INTEGER, PARAMETER :: PNA = 13\n INTEGER, PARAMETER :: SO2 = 14\n INTEGER, PARAMETER :: SULF = 15\n INTEGER, PARAMETER :: SULRXN = 16\n INTEGER, PARAMETER :: C2O3 = 17\n INTEGER, PARAMETER :: MEO2 = 18\n INTEGER, PARAMETER :: RO2 = 19\n INTEGER, PARAMETER :: PAN = 20\n INTEGER, PARAMETER :: PACD = 21\n INTEGER, PARAMETER :: AACD = 22\n INTEGER, PARAMETER :: CXO3 = 23\n INTEGER, PARAMETER :: ALD2 = 24\n INTEGER, PARAMETER :: XO2H = 25\n INTEGER, PARAMETER :: PANX = 26\n INTEGER, PARAMETER :: FORM = 27\n INTEGER, PARAMETER :: MEPX = 28\n INTEGER, PARAMETER :: MEOH = 29\n INTEGER, PARAMETER :: ROOH = 30\n INTEGER, PARAMETER :: XO2 = 31\n INTEGER, PARAMETER :: XO2N = 32\n INTEGER, PARAMETER :: NTR1 = 33\n INTEGER, PARAMETER :: NTR2 = 34\n INTEGER, PARAMETER :: FACD = 35\n INTEGER, PARAMETER :: CO = 36\n INTEGER, PARAMETER :: HCO3 = 37\n INTEGER, PARAMETER :: ALDX = 38\n INTEGER, PARAMETER :: GLYD = 39\n INTEGER, PARAMETER :: GLY = 40\n INTEGER, PARAMETER :: MGLY = 41\n INTEGER, PARAMETER :: ETHA = 42\n INTEGER, PARAMETER :: ETOH = 43\n INTEGER, PARAMETER :: KET = 44\n INTEGER, PARAMETER :: PAR = 45\n INTEGER, PARAMETER :: ACET = 46\n INTEGER, PARAMETER :: PRPA = 47\n INTEGER, PARAMETER :: XPRP = 48\n INTEGER, PARAMETER :: XPAR = 49\n INTEGER, PARAMETER :: ROR = 50\n INTEGER, PARAMETER :: ETHY = 51\n INTEGER, PARAMETER :: ETH = 52\n INTEGER, PARAMETER :: OLE = 53\n INTEGER, PARAMETER :: IOLE = 54\n INTEGER, PARAMETER :: ISOP = 55\n INTEGER, PARAMETER :: ISO2 = 56\n INTEGER, PARAMETER :: ISOPRXN = 57\n INTEGER, PARAMETER :: ISPD = 58\n INTEGER, PARAMETER :: INTR = 59\n INTEGER, PARAMETER :: ISPX = 60\n INTEGER, PARAMETER :: HPLD = 61\n INTEGER, PARAMETER :: OPO3 = 62\n INTEGER, PARAMETER :: EPOX = 63\n INTEGER, PARAMETER :: EPX2 = 64\n INTEGER, PARAMETER :: TERP = 65\n INTEGER, PARAMETER :: TRPRXN = 66\n INTEGER, PARAMETER :: TERPNRO2 = 67\n INTEGER, PARAMETER :: APIN = 68\n INTEGER, PARAMETER :: BENZENE = 69\n INTEGER, PARAMETER :: CRES = 70\n INTEGER, PARAMETER :: BZO2 = 71\n INTEGER, PARAMETER :: OPEN = 72\n INTEGER, PARAMETER :: BENZRO2 = 73\n INTEGER, PARAMETER :: TOL = 74\n INTEGER, PARAMETER :: TO2 = 75\n INTEGER, PARAMETER :: TOLRO2 = 76\n INTEGER, PARAMETER :: XOPN = 77\n INTEGER, PARAMETER :: XYLMN = 78\n INTEGER, PARAMETER :: XLO2 = 79\n INTEGER, PARAMETER :: XYLRO2 = 80\n INTEGER, PARAMETER :: NAPH = 81\n INTEGER, PARAMETER :: PAHRO2 = 82\n INTEGER, PARAMETER :: CRO = 83\n INTEGER, PARAMETER :: CAT1 = 84\n INTEGER, PARAMETER :: CRON = 85\n INTEGER, PARAMETER :: OPAN = 86\n INTEGER, PARAMETER :: ECH4 = 87\n INTEGER, PARAMETER :: CL2 = 88\n INTEGER, PARAMETER :: CL = 89\n INTEGER, PARAMETER :: HOCL = 90\n INTEGER, PARAMETER :: CLO = 91\n INTEGER, PARAMETER :: FMCL = 92\n INTEGER, PARAMETER :: HCL = 93\n INTEGER, PARAMETER :: CLNO2 = 94\n INTEGER, PARAMETER :: CLNO3 = 95\n INTEGER, PARAMETER :: SVAVB2 = 96\n INTEGER, PARAMETER :: SVAVB3 = 97\n INTEGER, PARAMETER :: SVAVB4 = 98\n INTEGER, PARAMETER :: SVAVB1 = 99\n INTEGER, PARAMETER :: SESQ = 100\n INTEGER, PARAMETER :: SESQRXN = 101\n INTEGER, PARAMETER :: SOAALK = 102\n INTEGER, PARAMETER :: H2NO3PIJ = 103\n INTEGER, PARAMETER :: H2NO3PK = 104\n INTEGER, PARAMETER :: ACLI = 105\n INTEGER, PARAMETER :: ACLJ = 106\n INTEGER, PARAMETER :: ACLK = 107\n INTEGER, PARAMETER :: IEPOXP = 108\n INTEGER, PARAMETER :: ASO4J = 109\n INTEGER, PARAMETER :: AISO3J = 110\n INTEGER, PARAMETER :: AGLYJ = 111\n INTEGER, PARAMETER :: MTNO3 = 112\n INTEGER, PARAMETER :: AMTNO3J = 113\n INTEGER, PARAMETER :: AMTHYDJ = 114\n INTEGER, PARAMETER :: AAVB2J = 115\n INTEGER, PARAMETER :: AOLGAJ = 116\n INTEGER, PARAMETER :: AAVB3J = 117\n INTEGER, PARAMETER :: AAVB4J = 118\n INTEGER, PARAMETER :: AISO1J = 119\n INTEGER, PARAMETER :: AOLGBJ = 120\n INTEGER, PARAMETER :: AISO2J = 121\n INTEGER, PARAMETER :: ASQTJ = 122\n INTEGER, PARAMETER :: APOCI = 123\n INTEGER, PARAMETER :: APNCOMI = 124\n INTEGER, PARAMETER :: APOCJ = 125\n INTEGER, PARAMETER :: APNCOMJ = 126\n INTEGER, PARAMETER :: PCVOC = 127\n INTEGER, PARAMETER :: PCSOARXN = 128\n INTEGER, PARAMETER :: VLVPO1 = 129\n INTEGER, PARAMETER :: VSVPO1 = 130\n INTEGER, PARAMETER :: VSVPO2 = 131\n INTEGER, PARAMETER :: VSVPO3 = 132\n INTEGER, PARAMETER :: VIVPO1 = 133\n INTEGER, PARAMETER :: VLVOO1 = 134\n INTEGER, PARAMETER :: VLVOO2 = 135\n INTEGER, PARAMETER :: VSVOO2 = 136\n INTEGER, PARAMETER :: VSVOO3 = 137\n INTEGER, PARAMETER :: VSVOO1 = 138\n INTEGER, PARAMETER :: FORM_PRIMARY = 139\n INTEGER, PARAMETER :: ALD2_PRIMARY = 140\n INTEGER, PARAMETER :: BUTADIENE13 = 141\n INTEGER, PARAMETER :: ACROLEIN = 142\n INTEGER, PARAMETER :: ACRO_PRIMARY = 143\n INTEGER, PARAMETER :: TOLU = 144\n INTEGER, PARAMETER :: HG = 145\n INTEGER, PARAMETER :: HGIIAER = 146\n INTEGER, PARAMETER :: HGIIGAS = 147\n INTEGER, PARAMETER :: BR = 148\n INTEGER, PARAMETER :: BRO = 149\n INTEGER, PARAMETER :: HOBR = 150\n INTEGER, PARAMETER :: HBR = 151\n INTEGER, PARAMETER :: BR2 = 152\n INTEGER, PARAMETER :: BRNO3 = 153\n INTEGER, PARAMETER :: BRNO2 = 154\n INTEGER, PARAMETER :: FMBR = 155\n INTEGER, PARAMETER :: MB3 = 156\n INTEGER, PARAMETER :: MB2 = 157\n INTEGER, PARAMETER :: MB2C = 158\n INTEGER, PARAMETER :: MBC2 = 159\n INTEGER, PARAMETER :: MBC = 160\n INTEGER, PARAMETER :: DMS = 161\n INTEGER, PARAMETER :: MSA = 162\n INTEGER, PARAMETER :: BRCL = 163\n INTEGER, PARAMETER :: ABRJ = 164\n INTEGER, PARAMETER :: I = 165\n INTEGER, PARAMETER :: IO = 166\n INTEGER, PARAMETER :: HI = 167\n INTEGER, PARAMETER :: I2 = 168\n INTEGER, PARAMETER :: HOI = 169\n INTEGER, PARAMETER :: INO = 170\n INTEGER, PARAMETER :: INO2 = 171\n INTEGER, PARAMETER :: INO3 = 172\n INTEGER, PARAMETER :: OIO = 173\n INTEGER, PARAMETER :: I2O4 = 174\n INTEGER, PARAMETER :: I2O2 = 175\n INTEGER, PARAMETER :: I2O3 = 176\n INTEGER, PARAMETER :: CH3I = 177\n INTEGER, PARAMETER :: ICL = 178\n INTEGER, PARAMETER :: IBR = 179\n INTEGER, PARAMETER :: MI2 = 180\n INTEGER, PARAMETER :: MIB = 181\n INTEGER, PARAMETER :: MIC = 182\n\n END MODULE HRDATA\n" }, { "path": "CCTM/src/gas/ebi_cb6r5m_ae7_aq/hrdriver.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE CHEM( CGRID, JDATE, JTIME, TSTEP )\nC**********************************************************************\nC\nC FUNCTION: Driver subroutine for Euler Backward Iterative solver\nC\nC PRECONDITIONS: For the CB6R5M_AE7_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: HRINIT, HRCALCKS, HRSOLVER\nC FIND_DEGRADED, INIT_DEGRADE, FINAL_DEGRADE\nC\nC REVISION HISTORY: Created by EBI solver program, Apr 21, 2022\nC Based on the algorithm in \"Test of Two Numerical\nC Schemes for Use in Atmospheric Transport-Chemistry\nC Models\", O. Hertel, R. Berkowicz, J. Christensen,\nC and O. Hov, Atm Env., Vol. 27A, No. 16, 1993.\nC Original MEBI code developed by Ho-Chun Huang,\nC SUNY, Albany -- \"On the performance of numerical\nC solvers for a chemistry submodel in three-dimensional\nC air quality models 1. Box model simulations\",\nC H. Huang and J.S. Chang, JGR, Vol 106, No. D17, 2001.\nC This version replaces Huang and Chang use of numerical\nC solutions with analytical solutions derived in\nC Hertel et al.\nC 21 Jun 10 J.Young: convert for Namelist redesign\nC 11 May 11 D.Wong: incorporated twoway model implementation\nC 27 Sep 11 B.Hutzell: revised method for defining CALL_DEG variable\nC 18 Jul 14 B.Hutzell: revised: 1) to use the RXNS_DATA and RXNS_FUNCTION\nC modules instead of include files, 2) to enable\nC reactions between species types, 3) to calculate\nC heterogeneous rate constants via AEROSOL_CHEMISTRY\nC module, 4) to replace call to HRCALCKS with\nC subroutine in RXNS_FUNCTION module and 5) to change\nC how degrade routines are used, if present\nC 02 Dec 14 B.Hutzell: 1) added terrestrial data to conduct surface\nC dependent reactions and 2) modified the call CALC_RCONST\nC routine\nC 01 Feb 19 D.Wong: Implemented centralized I/O approach, removed all MY_N\nC clauses\nC**********************************************************************\n\n USE HGRD_DEFN ! horizontal domain specifications\n USE VGRD_DEFN ! vertical layer specifications\n USE CGRID_SPCS ! CGRID mechanism species\n USE UTILIO_DEFN ! IOAPI parameters and functions declarations\n USE RXNS_DATA\n USE AEROSOL_CHEMISTRY\n USE RXNS_FUNCTION\n#ifdef isam\n USE SA_IRR_DEFN\n USE SA_DEFN\n#endif\n USE HRDATA\n USE PHOT_MOD, Only: INIT_PHOT_SHARED, RJ ! photolysis rate, in-line module\n USE PA_DEFN, Only: LIRR ! Process Analysis control and data variable\n USE PA_IRR_CLT\n#ifndef isam\n USE DEGRADE_ROUTINES, ONLY : N_REACT, RXTANT_MAP, DEG_LAY, DEG_COL, DEG_ROW,\n & FIND_DEGRADED, INIT_DEGRADE, FINAL_DEGRADE\n#else\n USE DEGRADE_ROUTINES, ONLY : N_REACT, RXTANT_MAP, SA_DEGRADE_EXTRACT,\n & FIND_DEGRADED, INIT_DEGRADE, FINAL_DEGRADE,\n & SA_DEGRADE_UPLOAD, DEG_LAY, DEG_COL, DEG_ROW\n#endif\n USE CENTRALIZED_IO_MODULE, ONLY : INTERPOLATE_VAR, OCEAN, SZONE\n#ifdef sens\n USE DDM3D_CHEM\n Use DDM3D_DEFN, Only: DATENUM, STARTDATE, IPT, IDATE, HIGH, NP, NPMAX, CKTIME\n#endif\n\n IMPLICIT NONE\n\nC..Includes:\n INCLUDE SUBST_FILES_ID ! CMAQ files\n INCLUDE SUBST_CONST ! CMAQ constants\n\n INCLUDE SUBST_EMISPRM ! Emissions processing control parameters\n\nC..Arguments:\n REAL, POINTER :: CGRID( :,:,:,: ) ! Species concentrations\n INTEGER JDATE ! Current date (YYYYDDD)\n INTEGER JTIME ! Current time (HHMMSS)\n INTEGER TSTEP( 3 ) ! Time step vector (HHMMSS)\n\nC..Parameters:\n REAL( 8 ), PARAMETER :: DCONMIN = 1.0D-30 ! minimum species concentration allowed\n REAL, PARAMETER :: CONCMIN = 1.0E-30 ! minimum species concentration allowed\n REAL, PARAMETER :: MAOMV = 1.0E6 * MWAIR / MWWAT ! Mol Wt of air over Mol Wt of water times 1.0E6\n\nC..External Functions:\n\n\nC..Saved Local Variables:\n\n CHARACTER( 16 ), SAVE :: PNAME = 'HRDRIVER' ! Program name\n\n INTEGER, SAVE :: ISTFL ! Unit no. of iteration stat output file\n LOGICAL, SAVE :: LFIRST = .TRUE. ! Flag for first call to this subroutine\n\n REAL( 8 ), SAVE :: PA2ATM ! Pascal to atm conv fac\n\nC..Scratch Local Variables:\n CHARACTER( 132 ) :: MSG ! Message text\n CHARACTER( 16 ) :: VNAME ! Name of I/O API data variable\n\n INTEGER C, E, L, R, S ! Loop indices\n INTEGER ISP ! array index\n\n INTEGER AVGEBI ! Average no. of EBI iterations\n INTEGER DELT_SEC ! EBI max time step in seconds\n INTEGER ESP ! Loop index for emissions species\n INTEGER ITMSTEP ! Chemistry integration interval (sec)\n INTEGER LEV ! Layer index\n INTEGER MIDDATE ! Date at time step midpoint\n INTEGER MIDTIME ! Time at time step midpoint\n INTEGER NPH ! Index for number of phot. rxns in PHOT\n INTEGER SPC ! Species loop index\n#ifdef hrstats\n INTEGER MNEBI ! Min no. of EBI iterations\n INTEGER MXEBI ! Max no. of EBI iterations\n#endif\n\n LOGICAL LSUNLIGHT ! Flag for sunlight\n\n REAL INV_DENS ! reciprocal of air mass density, m3/Kg\n#ifdef hrstats\n REAL SUMEBI ! Sum of EBI iterations\n#endif\n\n INTERFACE\n SUBROUTINE HRSOLVER( JDATE, JTIME, C, R, L )\n INTEGER, INTENT( IN ) :: JDATE ! Current date (YYYYDDD)\n INTEGER, INTENT( IN ) :: JTIME ! Current time (HHMMSS)\n INTEGER, INTENT( IN ) :: C, R, L ! Cell col, row, lev\n END SUBROUTINE HRSOLVER\n SUBROUTINE HETCHEM_UPDATE_AERO( CGRID )\n REAL, POINTER :: CGRID( :,:,:,: ) ! species concentration in cell\n END SUBROUTINE HETCHEM_UPDATE_AERO\n END INTERFACE\n\nC**********************************************************************\n\n IF( NUMB_MECH_SPC .EQ. 0 ) RETURN\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc On first call, call routines to set-up for EBI solver\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF( LFIRST ) THEN\n\n IF( MECHNAME .NE. 'CB6R5M_AE7_AQ' ) THEN\n MSG = 'This version of the EBI solver can only be used with'\n & // ' the CB6R5M_AE7_AQ chemical mechanism'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n#ifdef emis_chem\n EMISVD = .FALSE.\n#else\n EMISVD = .TRUE.\n#endif\n\n IF( INDEX( MECHNAME, 'AE' ) .NE. 0 ) THEN\n L_AE_VRSN = .TRUE.\n ELSE\n L_AE_VRSN = .FALSE.\n END IF\n\n IF( INDEX( MECHNAME, 'AQ' ) .NE. 0 ) THEN\n L_AQ_VRSN = .TRUE.\n ELSE\n L_AQ_VRSN = .FALSE.\n END IF\n\n IF( LIRR ) THEN\n CALL_IRR = .TRUE.\n ELSE\n CALL_IRR = .FALSE.\n END IF\n\n MODEL_SPECIES = NSPCSD ! WTH: find number of model species\n\n! Determine whether DEGRADE rountines are needed.\n\n CALL FIND_DEGRADED( JDATE, JTIME, CALL_DEG )\n IF( CALL_DEG )THEN\n WRITE(LOGDEV,*)'TX DEGRADE ROUTINES USED'\n WRITE(LOGDEV,*)'Mechanism contains degraded species'\n#ifdef verbose_gas\n ELSE\n WRITE(LOGDEV,*)'TX DEGRADE ROUTINES OMITTED'\n WRITE(LOGDEV,*)'MECHANISM does not include degraded species'\n#endif\n END IF\n\n CALL HRINIT\n\n ITMSTEP = TIME2SEC( TSTEP( 2 ) )\n CHEMSTEP = REAL( ITMSTEP, 8 ) / 60.0D0\n WRITE( LOGDEV, 92000 ) CHEMSTEP, DELTAT\n\n WRITE( LOGDEV, 92020 )\n DO SPC = 1, NUMB_MECH_SPC\n WRITE( LOGDEV, 92040 ) CHEMISTRY_SPC( SPC ), RTOL( SPC )\n END DO\n\n PA2ATM = REAL( 1.0 / STDATMPA, 8)\n\nc..If emissions processing requested stop\n IF( .NOT. EMISVD ) THEN ! assumes emis processing in gas chem\n\n MSG = 'ERROR: EBI solver not configured to '//\n & 'process emissions in chemistry'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n\n END IF ! End if doing emissions\n\n\n#ifdef hrstats\n ISTFL = JUNIT()\n OPEN( UNIT=ISTFL, FILE='iterstat.dat' )\n WRITE( ISTFL, 94020 )\n#endif\nC Define processor offsets\n\n PECOL_OFFSET = COLSD_PE( 1, MYPE+1 ) - 1\n PEROW_OFFSET = ROWSD_PE( 1, MYPE+1 ) - 1\n\n ALLOCATE( SEAWATER_ZONE( NCOLS, NROWS ) )\n DO R = 1, NROWS\n DO C = 1, NCOLS\n SEAWATER_ZONE( C,R ) = OCEAN( C,R ) + SZONE( C,R )\n END DO\n END DO\n\n ALLOCATE( DENS( NCOLS, NROWS, NLAYS ), PRES( NCOLS, NROWS, NLAYS ),\n & QV ( NCOLS, NROWS, NLAYS ), TA ( NCOLS, NROWS, NLAYS ),\n & SEAICE( NCOLS, NROWS ) )\n\nC..Initialize shared photolysis data\n CALL INIT_PHOT_SHARED()\n\nC..Determine which cells need IRR\n ALLOCATE( LFLAGIRR ( NCOLS, NROWS, NLAYS ) )\n CALL PA_IRR_CKCELLS ( LFLAGIRR )\n\n#ifdef isam\n NUMB_ISAM_CELLS = 1.0D0 / ( NCOLS * NROWS * NLAYS )\n CALL SA_IRR_INIT\n#endif\n\n#ifdef sens\n CALL INIT_DDM3D_CHEM()\n\nC For higher order sensitivities\n IF ( HIGH ) THEN\n DO RXN = 1, NRXNS\n IF( NREACT( RXN ) .EQ. 1 ) THEN\n ORDER1( RXN ) = .TRUE.\n ELSE\n ORDER1( RXN ) = .FALSE.\n END IF\n END DO\n END IF\n#endif\n\n LFIRST = .FALSE.\n\n END IF ! First time\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC Set date and time to center of time step, get necessary physical\nC data\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n MIDDATE = JDATE\n MIDTIME = JTIME\n ITMSTEP = TIME2SEC( TSTEP( 2 ) )\n CHEMSTEP = REAL( ITMSTEP, 8 ) / 60.0D0\n CALL NEXTIME( MIDDATE, MIDTIME, SEC2TIME( ITMSTEP / 2 ) )\n\nC.. Compute number of time step loops and step size for EBI solver\n DELT_SEC = INT( DELTAT * 60.0D0 + 0.1D0 )\n IF( DELT_SEC .GE. ITMSTEP ) THEN\n N_EBI_STEPS = 2\n EBI_TMSTEP = 0.5D0 * CHEMSTEP\n ELSE\n IF( MOD( ITMSTEP, DELT_SEC ) .EQ. 0 ) THEN\n N_EBI_STEPS = ITMSTEP / DELT_SEC\n ELSE\n N_EBI_STEPS = ITMSTEP / DELT_SEC + 1\n END IF\n EBI_TMSTEP = CHEMSTEP / REAL( N_EBI_STEPS, 8 )\n END IF\n\n N_INR_STEPS = 1\n\n\nC.. Get fractional seaice coverage from the METCRO2D file.\n\n CALL INTERPOLATE_VAR ('SEAICE', MIDDATE, MIDTIME, SEAICE)\n\nC.. Get ambient temperature in K\n\n CALL INTERPOLATE_VAR ('TA', MIDDATE, MIDTIME, TA)\n\nC.. Get specific humidity in Kg H2O / Kg air\n CALL INTERPOLATE_VAR ('QV', MIDDATE, MIDTIME, QV)\n\n! Get ambient MASS DENSITY in Kg/m^3\n CALL INTERPOLATE_VAR ('DENS', MIDDATE, MIDTIME, DENS)\n\nC.. Get pressure in Pascals\n CALL INTERPOLATE_VAR ('PRES', MIDDATE, MIDTIME, PRES)\n\nC.. Get Heteorogeneous rates and Update Aerosol Distribution Properties\n CALL HETCHEM_RATES( TA, PRES, QV, CGRID, DENS )\n\n#ifdef sens\n DATENUM = 1 + JDATE - STARTDATE ! Set the date and hour counters used in sensitivity calls\n\nC For reaction rate sensitivities\n DO NP = 1, NPMAX\n IF ( IPT( NP ) .EQ. 5 ) THEN\n CALL CKTIME( JDATE,JTIME,NP,RXNFLAG(NP) ) ! Rxnflag set to true iff ipt=5 and time, date within bounds\n IF ( IDATE( NP, DATENUM ) .NE. 1 ) RXNFLAG( NP ) = .FALSE.\n ELSE\n RXNFLAG( NP ) = .FALSE.\n END IF\n END DO\n\n#endif sens\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Top of loop over cells\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n#ifdef hrstats\n MNEBI = 1000\n MXEBI = 0\n SUMEBI = 0.0\n#endif\n\n NCELL = 1\n\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n\n DEG_LAY = L\n DEG_ROW = R\n DEG_COL = C\n\nc..reset CALL_IRR based on cell's values\n CALL_IRR = LFLAGIRR( C,R,L )\n\nc..Load ICs\n INV_DENS = 1.0 / DENS( C,R,L )\n DO SPC = 1, NUMB_MECH_SPC\n S = CGRID_INDEX( SPC )\n IF( CONVERT_CONC( SPC ) )THEN\n YC( SPC ) = REAL( MAX( CONCMIN,\n & INV_DENS*FORWARD_CONV( SPC )*CGRID( C,R,L,S )), 8 )\n ELSE\n YC( SPC ) = REAL( MAX( CGRID( C,R,L,S ), CONCMIN), 8 )\n END IF\n END DO\n\n IF(CALL_DEG)THEN ! INITIALIZE degradation routines\n\n YCCELL = 0.0D0\n DO S = 1, MODEL_SPECIES\n YCCELL( S ) = REAL( CGRID(C,R,L,S), 8)\n END DO\n CALL INIT_DEGRADE(YCCELL,TA(C,R,L),DENS(C,R,L),PRES(C,R,L),QV(C,R,L),RJIN(NCELL,:),\n & JDATE, JTIME)\n\n#ifdef isam\n CALL SA_DEGRADE_EXTRACT( C,R,L,DENS(C,R,L) )\n#endif\n END IF\n\nc..Set physical quantities\n TEMP( NCELL ) = REAL( TA( C,R,L ), 8)\n DENSITY( NCELL ) = REAL( DENS( C,R,L ), 8)\n! PRESCELL( NCELL ) = REAL( PRES( C,R,L ), 8)\n ATMPRES( NCELL ) = PA2ATM * REAL( PRES( C,R,L ), 8)\n H2O( NCELL ) = REAL( MAX ( MAOMV * QV( C,R,L ), 0.0 ), 8)\n SEAWATER (NCELL) = MAX ( 0.0D0, ( REAL( SEAWATER_ZONE( C,R ) - SEAICE (C,R) ,8) ) )\n\nc..Get rate constants\n LSUNLIGHT = .FALSE.\n FORALL( NPH = 1:NPHOTAB ) RJIN( NCELL,NPH ) = REAL( RJ( C,R,L,NPH ), 8)\n IF( MAXVAL(RJIN) .GT. 0.0D0 ) LSUNLIGHT = .TRUE.\n\n FORALL ( NPH = 1:NHETERO )HET( NCELL,NPH ) = REAL( KHETERO( NPH,C,R,L ), 8)\n\n CALL CALC_RCONST( TEMP, ATMPRES, H2O, RJIN, HET, LSUNLIGHT, SEAWATER, RKI_SAV, NCELL )\n FORALL( NPH = 1:NRXNS )RKI( NPH ) = RKI_SAV( NCELL, NPH )\n\n#ifdef isam\n#if defined(isam) || defined(verbose_isam)\nC...For diagnosing IRR calculations in log files\n IF( CHECK_ISAM )THEN\n WRITE_CELL = .FALSE.\n IF( C .EQ. MAX(1, NCOLS/2) .AND. R .EQ. MAX(1,NROWS/2) .AND. L .EQ. 1 )THEN\n WRITE_CELL = .TRUE.\n WRITE(LOGDEV,*)'WRITE_CELL = .TRUE.'\n ELSE\n WRITE_CELL = .FALSE.\n END IF\n END IF\n#endif\n CALL SA_IRR_EXTRACT( C, R, L, DENS( C,R,L ),YC )\n#endif\n\nc..Call EBI solver\n N_EBI_IT = 0\n\n CALL HRSOLVER( JDATE, JTIME, C, R, L )\n\n#ifdef hrstats\n MXEBI = MAX( MXEBI, N_EBI_IT )\n MNEBI = MIN( MNEBI, N_EBI_IT )\n SUMEBI = SUMEBI + REAL( N_EBI_IT )\n#endif\n\n\nc..Update concentration array\n DO SPC = 1, NUMB_MECH_SPC\n S = CGRID_INDEX( SPC )\n IF( CONVERT_CONC( SPC ) )THEN\n CGRID( C,R,L,S ) = REAL( REVERSE_CONV( SPC ) * DENS( C,R,L )\n & * MAX( YC( SPC ), DCONMIN), 4)\n ELSE\n CGRID( C,R,L,S ) = REAL( MAX( YC( SPC ), DCONMIN), 4)\n END IF\n END DO\n\n IF(CALL_DEG)THEN ! WTH: update based on degrade routines\n CALL FINAL_DEGRADE(YCCELL)\n UPDATE_DEGRADED: DO SPC = 1, N_REACT\n ISP = RXTANT_MAP( SPC )\n IF( ISP .LE. 0 )CYCLE UPDATE_DEGRADED\n DO S = 1, NUMB_MECH_SPC\n IF( CGRID_INDEX( S ) .EQ. ISP )CYCLE UPDATE_DEGRADED\n END DO\n CGRID(C,R,L,ISP) = REAL( YCCELL(ISP), 4)\n END DO UPDATE_DEGRADED\n#ifdef isam\n CALL SA_DEGRADE_UPLOAD( C,R,L,DENS(C,R,L) )\n#endif\n END IF\n\n#ifdef isam\n CALL SA_IRR_UPLOAD( C, R, L, DENS( C,R,L ), YC )\n#endif\n\nc..update irrout arrays if needed\n IF ( LFLAGIRR( C,R,L ) )CALL PA_IRR_CELLENDF( C, R, L )\n#ifdef sens\n DO RXN = 1, NRXNS\n SRK( RXN ) = RKI( RXN )\n IF ( HIGH ) THEN\n IF ( ORDER1 (RXN ) ) THEN\n SRK2( RXN ) = 0.0\n ELSE\n SRK2( RXN ) = RKI( RXN )\n END IF\n END IF\n END DO\n\n\n CALL SOLVE_DDM3D_CHEM( C,R,L,CHEMSTEP )\n#endif\n\n END DO\n END DO\n END DO\n\n! Update Aerosol Surface Area\n CALL HETCHEM_UPDATE_AERO( CGRID )\n\n#ifdef hrstats\n AVGEBI = SUMEBI / REAL( NCOLS * NROWS * NLAYS )\n WRITE( ISTFL, 94040 ) JDATE, JTIME, MNEBI, AVGEBI, MXEBI\n#endif\n\n RETURN\n\nC*********************** FORMAT STATEMENTS ****************************\n\n92000 FORMAT( / 10X, 'Euler Backward Iterative Parameters -'\n & / 10X, 'Chemistry Integration Time Interval (min):', F12.4,\n & / 10X, 'EBI maximum time step (min): ', F12.4 )\n\n92020 FORMAT( //10X, 'Species convergence tolerances:' )\n\n92040 FORMAT( 10X, A16, 2X, 1PE12.2 )\n\n92060 FORMAT( / 10X, 'Emissions Processing in Chemistry ...'\n & / 10X, 'Number of Emissions Layers: ', I3\n & / 10X, 'out of total Number of Model Layers:', I3 )\n\n\n94020 FORMAT( 'DATE TIME ', 'MNEBI AVEBI MXEBI' )\n\n94040 FORMAT( I7, 1X, I6, 1X, 3( I5, 1X ) )\n END\n" }, { "path": "CCTM/src/gas/ebi_cb6r5m_ae7_aq/hrg1.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\n SUBROUTINE HRG1( DTC )\n\nC**********************************************************************\nC\nC FUNCTION: To solve for the concentration of NO2, NO, O3, and O3P\nC algebraically.\nC\nC PRECONDITIONS: For the CB6R5M_AE7_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Apr 5, 2022\nC\nC 18 Jul 14 B.Hutzell: revised to use real(8) variables\nC 01 Jun 18 B.Hutzell: replaced steady solution for O1D with backward Euler\nC approximation. To match conditions where the initial\nC concentration cannot be neglected.\nC**********************************************************************\n USE HRDATA\n\n IMPLICIT NONE\n\n\nC..INCLUDES: None\n\n\nC..ARGUMENTS:\n REAL( 8 ), INTENT( IN ) :: DTC ! Time step\n\n\nC..PARAMETERS: None\n\n\nC..EXTERNAL FUNCTIONS: NONE\n\n\nC..SAVED LOCAL VARIABLES:\n! CHARACTER( 16 ), SAVE :: PNAME = 'HRG1' ! Prgram Name\n\n\nC..SCRATCH LOCAL VARIABLES:\n REAL( 8 ) :: O1D_S ! sum of O1D loss frequencies\n REAL( 8 ) :: O3P_S ! stoich coeff for O3P from O1D\n\n\n\n REAL( 8 ) :: R1_2 ! production term for NO from NO2\n REAL( 8 ) :: R2_1 ! production term for NO2 from NO\n REAL( 8 ) :: P1, P2, P3, P12 ! production terms for NO, NO2, O3, & O3P\n REAL( 8 ) :: L1, L2, L3, L12 ! loss terms for NO, NO2, O3, O3P\n REAL( 8 ) :: L1_INV, L2_INV,\n & L3_INV, L12_INV ! inverse of loss terms\n\n REAL( 8 ) :: T1, T2, T3, T4, T5 ! intermerdiate terms\n REAL( 8 ) :: F1, F2, F3 ! intermerdiate terms\n REAL( 8 ) :: A, B, C ! coefficients for quadratic equation\n REAL( 8 ) :: Q, XX, S1, S2 ! intermerdiate terms\n\n REAL( 8 ) :: RK1, RK2, RK3 ! rate constants\n\n REAL( 8 ) :: PO3 ! temp variable for O3\n\nC**********************************************************************\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc O1D Section\nc 1) sum of the rate constants for all O1D loss reactions\nc 2) get fractional yield of O3P from O1D loss\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n O1D_S = RKI( 10 ) ! O1D=O\n & + RKI( 11 ) ! O1D=0.2000D+01*OH\n\n O3P_S = RKI( 10 ) ! O1D=O\n\n O3P_S = O3P_S / O1D_S\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc NO Section\nc R1_2 = production of NO from NO2 ( rates of form k[NO2][x] )\nc except NO2+NO3=NO+NO2 (it is treated as if it were NO3=NO )\nc P1 = remaining NO production terms\nc L1 = loss of NO (except rxns producing NO2 - they are in R2_1)\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n R1_2 = RKI( 1 ) ! NO2=NO+O\n & + RKI( 5 ) * YC ( O ) ! NO2+O=NO\n R1_2 = R1_2 * DTC\n\n\n P1 = RXRAT( 28 ) ! NO3=NO\n & + RXRAT( 30 ) ! NO2+NO3=NO+NO2\n & + RXRAT( 42 ) ! HONO+HONO=NO+NO2\n & + RXRAT( 43 ) ! HONO=NO+OH\n & + 2.0000D+00 * RXRAT( 398 ) ! INO+INO=0.2000D+01*NO+I2\n & + RXRAT( 423 ) ! INO=NO+I\n P1 = YC0( NO ) + P1 * DTC\n\n\n L1 = RKI( 40 ) * YC ( OH ) ! NO+OH=HONO\n & + RKI( 41 ) * YC ( NO2 ) ! NO+NO2=0.2000D+...\n & + RKI( 83 ) * YC ( XO2N ) ! NO+XO2N=0.5000D+...\n & + 1.0000D-01 * RKI( 151 ) * YC ( ISO2 ) ! NO+ISO2=0.1000D+...\n & + 8.2000D-02 * RKI( 180 ) * YC ( BZO2 ) ! NO+BZO2=0.9180D+...\n & + 1.4000D-01 * RKI( 185 ) * YC ( TO2 ) ! NO+TO2=0.8600D+...\n & + 1.4000D-01 * RKI( 191 ) * YC ( XLO2 ) ! NO+XLO2=0.8600D+...\n & + RKI( 414 ) * YC ( I ) ! NO+I=INO\n L1 = 1.0D0 + L1 * DTC\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc NO2 Section\nc R2_1 = production of NO2 from NO ( rates of form k[NO][x] )\nc a) NO+O3=NO2 not included\nc b) NO+NO3=2NO2 ( 1/2 of NO2 formation rate included )\nc c) NO3+NO2=NO+NO2 is not included for NO2\nc P2 = remaining NO2 production terms \nc a) NO+O3=NO2 not included\nc b) NO+NO3=2NO2 (1/2 of NO2 formation rate included )\nc L2 = loss of NO2 (except rxns producing NO2 - they are in R1_2)\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n R2_1 = RKI( 4 ) * YC ( O ) ! NO+O=NO2\n & + 2.0000D+00 * RKI( 24 ) * YC ( NO ) ! NO+NO=0.2000D+01*NO2\n & + RKI( 25 ) * YC ( HO2 ) ! NO+HO2=NO2+OH\n & + RKI( 29 ) * YC ( NO3 ) ! NO+NO3=0.2000D+...\n & + RKI( 53 ) * YC ( C2O3 ) ! NO+C2O3=NO2+MEO2+RO2\n & + RKI( 61 ) * YC ( CXO3 ) ! NO+CXO3=NO2+ALD2+...\n & + RKI( 71 ) * YC ( MEO2 ) ! NO+MEO2=NO2+HO2+FORM\n & + RKI( 75 ) * YC ( XO2H ) ! NO+XO2H=NO2+HO2\n & + RKI( 79 ) * YC ( XO2 ) ! NO+XO2=NO2\n & + RKI( 103 ) * YC ( HCO3 ) ! NO+HCO3=NO2+FACD+HO2\n & + 9.0000D-01 * RKI( 151 ) * YC ( ISO2 ) ! NO+ISO2=0.9000D+...\n & + RKI( 167 ) * YC ( EPX2 ) ! NO+EPX2=NO2+...\n & + 9.1800D-01 * RKI( 180 ) * YC ( BZO2 ) ! NO+BZO2=0.9180D+...\n & + 8.6000D-01 * RKI( 185 ) * YC ( TO2 ) ! NO+TO2=0.8600D+...\n & + 8.6000D-01 * RKI( 191 ) * YC ( XLO2 ) ! NO+XLO2=0.8600D+...\n & + RKI( 212 ) * YC ( OPO3 ) ! NO+OPO3=NO2+...\n & + RKI( 230 ) * YC ( CLO ) ! NO+CLO=NO2+CL\n & + RKI( 351 ) * YC ( BRO ) ! NO+BRO=NO2+BR\n & + RKI( 397 ) * YC ( IO ) ! NO+IO=NO2+I\n & + RKI( 407 ) * YC ( OIO ) ! NO+OIO=NO2+IO\n R2_1 = R2_1 * DTC\n\n\n P2 = RXRAT( 27 ) ! NO3=NO2+O\n & + RXRAT( 29 ) ! NO+NO3=0.2000D+01*NO2\n & + RXRAT( 31 ) ! NO3+O=NO2\n & + RXRAT( 32 ) ! NO3+OH=NO2+HO2\n & + RXRAT( 33 ) ! NO3+HO2=NO2+OH\n & + RXRAT( 34 ) ! NO3+O3=NO2\n & + 2.0000D+00 * RXRAT( 35 ) ! NO3+NO3=0.2000D+01*NO2\n & + RXRAT( 37 ) ! N2O5=NO2+NO3\n & + RXRAT( 38 ) ! N2O5=NO2+NO3\n & + RXRAT( 42 ) ! HONO+HONO=NO2+NO\n & + RXRAT( 44 ) ! HONO+OH=NO2\n & + RXRAT( 47 ) ! HNO3=NO2+OH\n & + RXRAT( 49 ) ! PNA=NO2+HO2\n & + 5.9000D-01 * RXRAT( 50 ) ! PNA=0.5900D+00*NO2+...\n & + RXRAT( 51 ) ! PNA+OH=NO2\n & + RXRAT( 55 ) ! PAN=NO2+C2O3\n & + 6.0000D-01 * RXRAT( 56 ) ! PAN=0.6000D+00*NO2+...\n & + RXRAT( 63 ) ! PANX=NO2+CXO3\n & + 6.0000D-01 * RXRAT( 64 ) ! PANX=0.6000D+00*NO2+...\n & + RXRAT( 92 ) ! NTR1=NO2\n & + 5.0000D-01 * RXRAT( 140 ) ! ETH+NO3=0.5000D+...\n & + 5.0000D-01 * RXRAT( 144 ) ! OLE+NO3=0.5000D+...\n & + 5.0000D-01 * RXRAT( 148 ) ! IOLE+NO3=0.5000D+...\n & + 3.5000D-01 * RXRAT( 157 ) ! ISOP+NO3=0.3500D+...\n & + 1.4200D-01 * RXRAT( 160 ) ! ISPD+NO3=0.1420D+...\n & + 4.4400D-01 * RXRAT( 170 ) ! INTR+OH=0.4440D+...\n & + 4.7000D-01 * RXRAT( 174 ) ! TERP+NO3=0.4700D+...\n & + 4.7000D-01 * RXRAT( 178 ) ! APIN+NO3=0.4700D+...\n & + 5.0000D-01 * RXRAT( 205 ) ! XOPN+NO3=0.5000D+...\n & + RXRAT( 214 ) ! OPAN=NO2+OPO3\n & + 5.0000D-01 * RXRAT( 218 ) ! OPAN+OH=0.5000D+...\n & + RXRAT( 219 ) ! PANX+OH=NO2+ALD2\n & + RXRAT( 252 ) ! CLNO2=NO2+CL\n & + RXRAT( 254 ) ! CLNO3=NO2+CLO\n & + RXRAT( 355 ) ! BR+NO3=NO2+BRO\n & + RXRAT( 374 ) ! BRNO2=NO2+BR\n & + RXRAT( 375 ) ! BRNO3=NO2+BRO\n & + 2.0000D+00 * RXRAT( 399 ) ! INO2+INO2=0.2000D+...\n & + RXRAT( 412 ) ! INO2=NO2+I\n & + RXRAT( 413 ) ! INO3=NO2+IO\n & + RXRAT( 424 ) ! INO2=NO2+I\n P2 = YC0( NO2 ) + P2 * DTC\n\n\n L2 = RKI( 6 ) * YC ( O ) ! NO2+O=NO3\n & + RKI( 26 ) * YC ( O3 ) ! NO2+O3=NO3\n & + RKI( 36 ) * YC ( NO3 ) ! NO2+NO3=N2O5\n & + RKI( 41 ) * YC ( NO ) ! NO2+NO=0.2000D+...\n & + RKI( 45 ) * YC ( OH ) ! NO2+OH=HNO3\n & + RKI( 48 ) * YC ( HO2 ) ! NO2+HO2=PNA\n & + RKI( 54 ) * YC ( C2O3 ) ! NO2+C2O3=PAN\n & + RKI( 62 ) * YC ( CXO3 ) ! NO2+CXO3=PANX\n & + RKI( 135 ) * YC ( ROR ) ! NO2+ROR=NTR1\n & + RKI( 197 ) * YC ( CRO ) ! NO2+CRO=CRON\n & + RKI( 213 ) * YC ( OPO3 ) ! NO2+OPO3=OPAN\n & + RKI( 225 ) * YC ( OH ) ! NO2+OH=HNO3\n & + RKI( 253 ) * YC ( CLO ) ! NO2+CLO=CLNO3\n & + RKI( 278 ) ! NO2=0.5000D+...\n & + RKI( 356 ) * YC ( BRO ) ! NO2+BRO=BRNO3\n & + RKI( 357 ) * YC ( BR ) ! NO2+BR=BRNO2\n & + RKI( 415 ) * YC ( I ) ! NO2+I=INO2\n & + RKI( 416 ) * YC ( IO ) ! NO2+IO=INO3\n L2 = 1.0D0 + L2 * DTC\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc O3 Section\nc P3 = production of O3 except O+O2=O3\nc L3 = loss terms for O3 except NO+O3=NO2\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n P3 = 1.3000D-01 * RXRAT( 57 ) ! C2O3+HO2=0.1300D+...\n & + 1.3000D-01 * RXRAT( 65 ) ! CXO3+HO2=0.1300D+...\n & + 1.3000D-01 * RXRAT( 215 ) ! OPO3+HO2=0.1300D+...\n P3 = YC0( O3 ) + P3 * DTC\n\n\n L3 = RKI( 7 ) * YC ( O ) ! O3+O=\n & + RKI( 8 ) ! O3=O\n & + RKI( 9 ) ! O3=O1D\n & + RKI( 12 ) * YC ( OH ) ! O3+OH=HO2\n & + RKI( 13 ) * YC ( HO2 ) ! O3+HO2=OH\n & + RKI( 26 ) * YC ( NO2 ) ! O3+NO2=NO3\n & + RKI( 34 ) * YC ( NO3 ) ! O3+NO3=NO2\n & + RKI( 139 ) * YC ( ETH ) ! O3+ETH=FORM+...\n & + RKI( 143 ) * YC ( OLE ) ! O3+OLE=0.2950D+...\n & + RKI( 147 ) * YC ( IOLE ) ! O3+IOLE=0.7320D+...\n & + RKI( 156 ) * YC ( ISOP ) ! O3+ISOP=0.6000D+...\n & + RKI( 159 ) * YC ( ISPD ) ! O3+ISPD=0.4000D-...\n & + RKI( 173 ) * YC ( TERP ) ! O3+TERP=0.5700D+...\n & + RKI( 177 ) * YC ( APIN ) ! O3+APIN=0.5700D+...\n & + RKI( 204 ) * YC ( XOPN ) ! O3+XOPN=0.1200D+...\n & + RKI( 208 ) * YC ( OPEN ) ! O3+OPEN=0.1400D+...\n & + RKI( 228 ) * YC ( CL ) ! O3+CL=CLO\n & + RKI( 345 ) * YC ( BR ) ! O3+BR=BRO\n & + RKI( 391 ) * YC ( I ) ! O3+I=IO\n L3 = 1.0D0 + L3 * DTC\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc O3P Section \nc P12 = production of O3P except NO2+hv=O3P (J1)\nc L12 = loss terms\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n P12 = RXRAT( 8 ) ! O3=O\n & + O3P_S * RXRAT( 9 ) ! O3=O1D\n & + RXRAT( 16 ) ! OH+OH=O\n & + RXRAT( 27 ) ! NO3=O+NO2\n & + RXRAT( 373 ) ! BRO=O+BR\n & + RXRAT( 421 ) ! IO=O+I\n P12 = YC0( O ) + P12 * DTC\n\n\n L12 = RKI( 2 ) ! O=O3\n & + RKI( 4 ) * YC ( NO ) ! O+NO=NO2\n & + RKI( 5 ) * YC ( NO2 ) ! O+NO2=NO\n & + RKI( 6 ) * YC ( NO2 ) ! O+NO2=NO3\n & + RKI( 7 ) * YC ( O3 ) ! O+O3=\n & + RKI( 14 ) * YC ( OH ) ! O+OH=HO2\n & + RKI( 15 ) * YC ( HO2 ) ! O+HO2=OH\n & + RKI( 23 ) * YC ( H2O2 ) ! O+H2O2=OH+HO2\n & + RKI( 31 ) * YC ( NO3 ) ! O+NO3=NO2\n & + RKI( 99 ) * YC ( FORM ) ! O+FORM=OH+HO2+CO\n & + RKI( 105 ) * YC ( ALD2 ) ! O+ALD2=C2O3+OH\n & + RKI( 109 ) * YC ( ALDX ) ! O+ALDX=CXO3+OH\n & + RKI( 137 ) * YC ( ETH ) ! O+ETH=FORM+HO2+CO+...\n & + RKI( 141 ) * YC ( OLE ) ! O+OLE=0.2000D+00*ALD2+...\n & + RKI( 145 ) * YC ( IOLE ) ! O+IOLE=0.1240D+...\n & + RKI( 150 ) * YC ( ISOP ) ! O+ISOP=0.7500D+...\n & + RKI( 171 ) * YC ( TERP ) ! O+TERP=0.1500D+...\n & + RKI( 175 ) * YC ( APIN ) ! O+APIN=0.1500D+...\n L12 = 1.0D0 + L12 * DTC\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Solution section\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\nc..compute reciprocal of loss terms\n L1_INV = 1.0D0 / L1\n L2_INV = 1.0D0 / L2\n L3_INV = 1.0D0 / L3\n L12_INV = 1.0D0 / L12\n\nc..compute specific k*delta t terms\n RK1 = RKI( 1 ) * DTC ! J1 (NO2+hv=NO+O3P)\n RK2 = RKI( 2 ) * DTC ! J2 (O3P+O2=O3)\n RK3 = RKI( 3 ) * DTC ! k1_3 (NO+O3=NO2)\n\nc..compute terms that are used to calulate a,b & c\n T1 = RK1 * L2_INV ! J1 / ( 1.0 + Lno2 * dt )\n T2 = R1_2 * L2_INV ! r1,2 / ( 1.0 + Lno2 * dt)\n T3 = R2_1 * L1_INV ! r2,1 / ( 1.0 + Lno * dt)\n T4 = RK2 * L12_INV ! J2 / ( 1.0 + Lo3p * dt )\n T5 = T3 * P1 - T2 * P2 ! T3 * Pno - T2 * Pno2\n\n F1 = 1.0D0 + T2 + T3 ! factor in calculating a & b\n F2 = T1 * T4 ! factor in calculating a & b\n F3 = L3 * L1 + RK3 * P1 ! (1 + Lo3 * dt) (1 + lno * dt )\n ! + k1,3 * dt * Pno\n\n PO3 = P3 + P12 * T4\n\n A = RK3 * ( F1 - F2 )\n\n B = F1 * F3 + RK3 * ( F2 * ( P2 - P1 ) + PO3 + T5 )\n\n C = RK3 * P1 * ( PO3 + P2 * F2 ) + F3 * T5\n\n Q = -0.5D0 * ( B + SIGN( 1.0D0, B ) * SQRT( B * B - 4.0D0 * A * C ) )\n\n XX = MAX( Q / A , C / Q )\n\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Species solutions\nc [NO] = ( P1 + x ) / ( 1 + L1 )\nc [NO2] = ( P2 - x ) / ( 1 + L2 )\nc [O3 ] = ( P3 + Ko3p->O3 ) / (1 + K1,3 * [NO] + L3 )\nc [O3P] = ( P12 + J1 * [NO2] ) / ( 1 + L12 )\nc [O1D] = ( yc0(o1d) + Ko3->o1d * [O3] *dtc) / ( 1 + O1D_S*dtc )\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n YCP( NO ) = MAX( 0.0D0, ( P1 + XX ) * L1_INV )\n\n YCP( NO2 ) = MAX( 0.0D0, ( P2 - XX ) * L2_INV )\n\n S1 = P12 + RK1 * YCP( NO2 )\n\n S2 = T4 * S1\n\n YCP( O3 ) = ( P3 + S2 ) / ( L3 + RK3 * YCP( NO ) )\n\n YCP( O ) = S1 * L12_INV\n\n YCP( O1D ) = ( YC0( O1D ) + RKI( 9 ) * YCP( O3 ) * DTC ) \n & / ( 1.0D0 + O1D_S * DTC )\n\n RETURN\n\n END\n\n\n" }, { "path": "CCTM/src/gas/ebi_cb6r5m_ae7_aq/hrg2.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\n SUBROUTINE HRG2( DTC )\nC**********************************************************************\nC\nC FUNCTION: To solve for the concentration of HO, HO2, HONO, and\nC HNO4 alebraically.\nC\nC PRECONDITIONS: For the CB6R5M_AE7_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Apr 5, 2022\nC\nC 18 Jul 14 B.Hutzell: revised to use real(8) variables\nC**********************************************************************\n USE HRDATA\n\n IMPLICIT NONE\n\n\nC..INCLUDES: None\n\n\nC..ARGUMENTS:\n REAL( 8 ), INTENT( IN ) :: DTC ! Time step\n\nC..PARAMETERS: None\n\n\nC..EXTERNAL FUNCTIONS: NONE\n\n\nC..SAVED LOCAL VARIABLES:\n! CHARACTER( 16 ), SAVE :: PNAME = 'HRG2' ! Program name\n\n\nC..SCRATCH LOCAL VARIABLES:\n REAL( 8 ) :: O1D_S ! sum of O1D loss frequencies\n REAL( 8 ) :: OH_S ! stoich coeff for OH from O1D+H2O or H2\n REAL( 8 ) :: HO2_S ! stoich coeff for HO2 from O1D+H2 rxn\n REAL( 8 ) :: XOH_S ! stoich coeff for OH & HONO from NO2EX loss rxn\n REAL( 8 ) :: R4_19 ! production of OH from HONO\n REAL( 8 ) :: R19_4 ! production of HONO from OH\n REAL( 8 ) :: R4_5 ! production of OH from HO2\n REAL( 8 ) :: R5_4 ! production of HO2 from OH\n REAL( 8 ) :: R5_21 ! production of HO2 from HNO4\n REAL( 8 ) :: R21_5 ! production of HNO4 from HO2\n REAL( 8 ) :: P4, P5, P19, P21 ! species production form other paths\n REAL( 8 ) :: L4, L5, L19, L21 ! species loss terms\n\n REAL( 8 ) :: A, B, C ! coeffs of quadratic eq. for HO2\n REAL( 8 ) :: Q ! intermediate term\n\n REAL( 8 ) :: T1, T2, T3 ! intermediate terms\n\n REAL( 8 ) :: L21_INV ! reciprocal of HNO4 loss term\n\nC**********************************************************************\n\n\nc..stoichiometric coefficient for production of HOX from O3 via O1D\n O1D_S = RKI( 10 ) ! O1D=O\n & + RKI( 11 ) ! O1D=0.2000D+01*OH\n\n OH_S = 2.0000D+00 * RKI( 11 ) ! O1D=0.2000D+01*OH\n\n OH_S = OH_S / O1D_S\n\n\nc..Production of HO from HO2 (r4,5 terms )\n R4_5 = RKI( 13 ) * YC ( O3 ) ! HO2+O3=OH\n & + RKI( 15 ) * YC ( O ) ! HO2+O=OH\n & + RKI( 25 ) * YC ( NO ) ! HO2+NO=OH+NO2\n & + RKI( 33 ) * YC ( NO3 ) ! HO2+NO3=OH+NO2\n & + 5.0000D-01 * RKI( 57 ) * YC ( C2O3 ) ! HO2+C2O3=0.5000D+...\n & + 5.0000D-01 * RKI( 65 ) * YC ( CXO3 ) ! HO2+CXO3=0.5000D+...\n & + 2.0000D-01 * RKI( 104 ) * YC ( HCO3 ) ! HO2+HCO3=0.2000D+...\n & + 1.2000D-01 * RKI( 152 ) * YC ( ISO2 ) ! HO2+ISO2=0.1200D+...\n & + 1.7500D-01 * RKI( 166 ) * YC ( EPX2 ) ! HO2+EPX2=0.1125D+...\n & + 5.0000D-01 * RKI( 215 ) * YC ( OPO3 ) ! HO2+OPO3=0.5000D+...\n\n R4_5 = R4_5 * DTC\n\nc..Production of HO from HONO (r4,19 terms )\n R4_19 = RKI( 43 ) ! HONO=OH+NO\n\n R4_19 = R4_19 * DTC\n\nc..Remaining HO production\n P4 = OH_S * RXRAT( 9 ) ! O1D=0.2000D+01*OH\n & + 2.0000D+00 * RXRAT( 21 ) ! H2O2=0.2000D+01*OH\n & + RXRAT( 23 ) ! H2O2+O=OH+HO2\n & + RXRAT( 47 ) ! HNO3=OH+NO2\n & + 4.1000D-01 * RXRAT( 50 ) ! PNA=0.4100D+00*OH+0.5900D+...\n & + RXRAT( 88 ) ! MEPX=OH+RO2+MEO2\n & + RXRAT( 90 ) ! ROOH=OH+HO2\n & + RXRAT( 99 ) ! FORM+O=OH+HO2+CO\n & + RXRAT( 105 ) ! ALD2+O=OH+C2O3\n & + RXRAT( 109 ) ! ALDX+O=OH+CXO3\n & + 1.9000D-01 * RXRAT( 114 ) ! GLYD=0.1900D+00*OH+0.1400D+...\n & + 3.0000D-01 * RXRAT( 137 ) ! ETH+O=0.3000D+00*OH+HO2+CO+...\n & + 1.7000D-01 * RXRAT( 139 ) ! ETH+O3=0.1700D+00*OH+...\n & + 1.0000D-01 * RXRAT( 141 ) ! OLE+O=0.1000D+00*OH+...\n & + 3.3400D-01 * RXRAT( 143 ) ! OLE+O3=0.3340D+00*OH+...\n & + 5.0000D-01 * RXRAT( 147 ) ! IOLE+O3=0.5000D+00*OH+...\n & + 2.6600D-01 * RXRAT( 156 ) ! ISOP+O3=0.2660D+00*OH+...\n & + 4.6100D-01 * RXRAT( 159 ) ! ISPD+O3=0.4610D+00*OH+...\n & + RXRAT( 163 ) ! HPLD=OH+ISPD\n & + 9.5000D-01 * RXRAT( 166 ) ! HO2+EPX2=0.1125D+01*OH+...\n & + 1.2500D-01 * RXRAT( 167 ) ! EPX2+NO=0.1250D+00*OH+...\n & + 1.0000D-01 * RXRAT( 168 ) ! EPX2+C2O3=0.1000D+00*OH+...\n & + 1.2500D-01 * RXRAT( 169 ) ! EPX2+RO2=0.1250D+00*OH+...\n & + 5.7000D-01 * RXRAT( 173 ) ! TERP+O3=0.5700D+00*OH+...\n & + 5.7000D-01 * RXRAT( 177 ) ! APIN+O3=0.5700D+00*OH+...\n & + 5.0000D-01 * RXRAT( 204 ) ! XOPN+O3=0.5000D+00*OH+...\n & + 5.0000D-01 * RXRAT( 208 ) ! OPEN+O3=0.5000D+00*OH+...\n & + RXRAT( 227 ) ! HOCL=OH+CL\n & + 1.0000D-01 * RXRAT( 249 ) ! CL+TOL=0.1000D+00*OH+...\n & + 2.4400D-01 * RXRAT( 250 ) ! CL+XYLMN=0.2440D+00*OH+...\n & + 2.4400D-01 * RXRAT( 251 ) ! CL+NAPH=0.2440D+00*OH+...\n & + RXRAT( 372 ) ! HOBR=OH+BR\n & + RXRAT( 420 ) ! HOI=OH+I\n\n P4 = YC0( OH ) + P4 * DTC\n\nc..Production of HO2 from OH ( r5,4 terms )\n R5_4 = RKI( 12 ) * YC ( O3 ) ! OH+O3=HO2\n & + RKI( 14 ) * YC ( O ) ! OH+O=HO2\n & + RKI( 22 ) * YC ( H2O2 ) ! OH+H2O2=HO2\n & + RKI( 32 ) * YC ( NO3 ) ! OH+NO3=HO2+NO2\n & + RKI( 52 ) * YC ( SO2 ) ! OH+SO2=HO2+SULF+...\n & + RKI( 93 ) * YC ( FACD ) ! OH+FACD=HO2\n & + RKI( 96 ) * YC ( FORM ) ! OH+FORM=HO2+CO\n & + 2.0000D-01 * RKI( 113 ) * YC ( GLYD ) ! OH+GLYD=0.2000D+...\n & + RKI( 116 ) * YC ( GLY ) ! OH+GLY=HO2+...\n & + RKI( 122 ) ! OH=HO2\n & + RKI( 123 ) * YC ( CO ) ! OH+CO=HO2\n & + RKI( 126 ) * YC ( MEOH ) ! OH+MEOH=HO2+FORM\n & + 9.0000D-01 * RKI( 127 ) * YC ( ETOH ) ! OH+ETOH=0.9000D+...\n & + 3.0000D-01 * RKI( 136 ) * YC ( ETHY ) ! OH+ETHY=0.3000D+...\n & + 1.3700D-01 * RKI( 158 ) * YC ( ISPD ) ! OH+ISPD=0.1370D+...\n & + 5.3000D-01 * RKI( 179 ) * YC ( BENZENE ) ! OH+BENZENE=...\n & + 1.8000D-01 * RKI( 184 ) * YC ( TOL ) ! OH+TOL=0.1800D+...\n & + 1.5500D-01 * RKI( 189 ) * YC ( XYLMN ) ! OH+XYLMN=0.1550D+...\n & + 1.5500D-01 * RKI( 190 ) * YC ( NAPH ) ! OH+NAPH=0.1550D+...\n & + RKI( 195 ) * YC ( CRES ) ! OH+CRES=HO2+...\n & + 2.0000D-01 * RKI( 210 ) * YC ( CAT1 ) ! OH+CAT1=0.2000D+...\n & + RKI( 354 ) * YC ( BRO ) ! OH+BRO=HO2+BR\n & + RKI( 366 ) * YC ( MB2 ) ! OH+MB2=HO2+...\n & + RKI( 369 ) * YC ( MBC ) ! OH+MBC=HO2+CL+CO+BR\n\n R5_4 = R5_4 * DTC\n\nc..Production of HO2 from HNO4 (r5,21 term )\n R5_21 = RKI( 49 ) ! PNA=HO2+NO2\n & + 5.9000D-01 * RKI( 50 ) ! PNA=0.5900D+...\n\n R5_21 = R5_21 * DTC\n\nc..Remaining HO2 production terms\n P5 = RXRAT( 23 ) ! H2O2+O=HO2+OH\n & + RXRAT( 71 ) ! MEO2+NO=HO2+FORM+NO2\n & + 9.0000D-01 * RXRAT( 73 ) ! MEO2+C2O3=0.9000D+00*HO2+...\n & + 3.7000D-01 * RXRAT( 74 ) ! MEO2+RO2=0.3700D+00*HO2+...\n & + RXRAT( 75 ) ! XO2H+NO=HO2+NO2\n & + 8.0000D-01 * RXRAT( 77 ) ! XO2H+C2O3=0.8000D+00*HO2+...\n & + 6.0000D-01 * RXRAT( 78 ) ! XO2H+RO2=0.6000D+00*HO2+RO2\n & + 8.0000D-01 * RXRAT( 85 ) ! XO2N+C2O3=0.8000D+00*HO2+...\n & + RXRAT( 90 ) ! ROOH=HO2+OH\n & + 2.0000D+00 * RXRAT( 97 ) ! FORM=0.2000D+01*HO2+CO\n & + RXRAT( 99 ) ! FORM+O=HO2+OH+CO\n & + RXRAT( 100 ) ! FORM+NO3=HO2+HNO3+CO\n & + RXRAT( 102 ) ! HCO3=HO2+FORM\n & + RXRAT( 103 ) ! HCO3+NO=HO2+NO2+FACD\n & + RXRAT( 108 ) ! ALD2=HO2+RO2+CO+MEO2\n & + RXRAT( 112 ) ! ALDX=HO2+XO2H+RO2+CO+ALD2\n & + 1.4000D+00 * RXRAT( 114 ) ! GLYD=0.1400D+01*HO2+...\n & + 2.0000D+00 * RXRAT( 117 ) ! GLY=0.2000D+01*HO2+0.2000D+...\n & + RXRAT( 118 ) ! GLY+NO3=HO2+0.1500D+01*CO+...\n & + RXRAT( 119 ) ! MGLY=HO2+C2O3+CO\n & + RXRAT( 134 ) ! ROR=HO2+KET\n & + RXRAT( 137 ) ! ETH+O=HO2+0.3000D+00*OH+CO+...\n & + 2.7000D-01 * RXRAT( 139 ) ! ETH+O3=0.2700D+00*HO2+...\n & + 1.0000D-01 * RXRAT( 141 ) ! OLE+O=0.1000D+00*HO2+...\n & + 8.0000D-02 * RXRAT( 143 ) ! OLE+O3=0.8000D-01*HO2+...\n & + 2.5000D-01 * RXRAT( 150 ) ! ISOP+O=0.2500D+00*HO2+...\n & + 8.1800D-01 * RXRAT( 151 ) ! ISO2+NO=0.8180D+00*HO2+...\n & + 7.2800D-01 * RXRAT( 153 ) ! ISO2+C2O3=0.7280D+00*HO2+...\n & + 7.2800D-01 * RXRAT( 154 ) ! ISO2+RO2=0.7280D+00*HO2+...\n & + RXRAT( 155 ) ! ISO2=HO2+HPLD\n & + 6.6000D-02 * RXRAT( 156 ) ! ISOP+O3=0.6600D-01*HO2+...\n & + 3.9800D-01 * RXRAT( 159 ) ! ISPD+O3=0.3980D+00*HO2+...\n & + 7.6000D-01 * RXRAT( 161 ) ! ISPD=0.7600D+00*HO2+...\n & + 8.2500D-01 * RXRAT( 167 ) ! EPX2+NO=0.8250D+00*HO2+...\n & + 6.6000D-01 * RXRAT( 168 ) ! EPX2+C2O3=0.6600D+00*HO2+...\n & + 8.2500D-01 * RXRAT( 169 ) ! EPX2+RO2=0.8250D+00*HO2+...\n & + 9.1800D-01 * RXRAT( 180 ) ! BZO2+NO=0.9180D+00*HO2+...\n & + RXRAT( 181 ) ! BZO2+C2O3=HO2+OPEN+GLY+...\n & + RXRAT( 183 ) ! BZO2+RO2=HO2+OPEN+GLY+RO2\n & + 8.6000D-01 * RXRAT( 185 ) ! TO2+NO=0.8600D+00*HO2+...\n & + RXRAT( 186 ) ! TO2+C2O3=HO2+0.5200D+...\n & + RXRAT( 188 ) ! TO2+RO2=HO2+0.5200D+...\n & + 8.6000D-01 * RXRAT( 191 ) ! XLO2+NO=0.8600D+00*HO2+...\n & + RXRAT( 193 ) ! XLO2+C2O3=HO2+0.7700D+...\n & + RXRAT( 194 ) ! XLO2+RO2=HO2+0.7700D+...\n & + RXRAT( 201 ) ! CRON=HO2+HONO+FORM+OPEN\n & + 7.0000D-01 * RXRAT( 202 ) ! XOPN=0.7000D+00*HO2+XO2H+...\n & + RXRAT( 206 ) ! OPEN=HO2+OPO3+CO\n & + 5.6000D-01 * RXRAT( 208 ) ! OPEN+O3=0.5600D+00*HO2+...\n & + 8.0000D-01 * RXRAT( 212 ) ! OPO3+NO=0.8000D+00*HO2+...\n & + RXRAT( 232 ) ! CLO+MEO2=HO2+FORM+CL\n & + RXRAT( 234 ) ! FMCL=HO2+CO+CL\n & + RXRAT( 239 ) ! CL+ETH=HO2+0.2000D+01*XO2+...\n & + RXRAT( 240 ) ! CL+OLE=HO2+0.3300D+00*ALD2+...\n & + RXRAT( 241 ) ! CL+IOLE=HO2+0.7000D+...\n & + RXRAT( 243 ) ! CL+FORM=HO2+HCL+CO\n & + RXRAT( 246 ) ! CL+MEOH=HO2+HCL+FORM\n & + RXRAT( 247 ) ! CL+ETOH=HO2+HCL+ALD2\n & + 1.8000D-01 * RXRAT( 249 ) ! CL+TOL=0.1800D+00*HO2+...\n & + 1.5500D-01 * RXRAT( 250 ) ! CL+XYLMN=0.1550D+00*HO2+...\n & + 1.5500D-01 * RXRAT( 251 ) ! CL+NAPH=0.1550D+00*HO2+...\n & + RXRAT( 359 ) ! FORM+BR=HO2+HBR+CO\n & + RXRAT( 378 ) ! FMBR=HO2+CO+BR\n & + RXRAT( 379 ) ! MB3=HO2+0.3000D+01*BR+CO\n & + RXRAT( 380 ) ! MB2C=HO2+CL+0.2000D+01*BR+CO\n & + RXRAT( 381 ) ! MBC2=HO2+0.2000D+01*CL+BR+CO\n\n P5 = YC0( HO2 ) + P5 * DTC\n\nc..Production of HONO from OH (r19,4 terms )\n\n R19_4 = RKI( 40 ) * YC( NO ) * DTC ! OH+NO=HONO\n\nc..Remaining HONO production terms\n P19 = 2.0000D+00 * RXRAT( 41 ) ! NO+NO2=0.2000D+01*HONO\n & + RXRAT( 201 ) ! CRON=HONO+HO2+FORM+OPEN\n & + 5.0000D-01 * RXRAT( 278 ) ! NO2=0.5000D+00*HONO+...\n & + RXRAT( 388 ) ! BRNO2+ACLJ=HONO+BRCL\n & + RXRAT( 389 ) ! BRNO2+ABRJ=HONO+BR2\n & + RXRAT( 445 ) ! INO2+ACLJ=HONO+ICL\n & + RXRAT( 446 ) ! INO2+ABRJ=HONO+IBR\n\n P19 = YC0( HONO ) + P19 * DTC\n\nc..Production of PNA from HO2 (r21,5 term )\n\n R21_5 = RKI( 48 ) * YCP( NO2 ) * DTC ! HO2+NO2=HNO4\n\nc..Remaining PNA production terms\n P21 = YC0( PNA )\n\nc..OH loss terms not in R5_4 & R19_4\n L4 = 2.0000D+00 * RKI( 16 ) * YC ( OH ) ! OH+OH=O\n & + 2.0000D+00 * RKI( 17 ) * YC ( OH ) ! OH+OH=H2O2\n & + RKI( 18 ) * YC ( HO2 ) ! OH+HO2=\n & + RKI( 44 ) * YC ( HONO ) ! OH+HONO=NO2\n & + RKI( 45 ) * YC ( NO2 ) ! OH+NO2=HNO3\n & + RKI( 46 ) * YC ( HNO3 ) ! OH+HNO3=NO3\n & + RKI( 51 ) * YC ( PNA ) ! OH+PNA=NO2\n & + 6.0000D-01 * RKI( 87 ) * YC ( MEPX ) ! OH+MEPX=0.6000D+...\n & + 6.0000D-01 * RKI( 89 ) * YC ( ROOH ) ! OH+ROOH=0.5400D+...\n & + RKI( 91 ) * YC ( NTR1 ) ! OH+NTR1=NTR2\n & + RKI( 94 ) * YC ( AACD ) ! OH+AACD=MEO2+RO2\n & + RKI( 95 ) * YC ( PACD ) ! OH+PACD=C2O3\n & + RKI( 106 ) * YC ( ALD2 ) ! OH+ALD2=C2O3\n & + RKI( 110 ) * YC ( ALDX ) ! OH+ALDX=CXO3\n & + 8.0000D-01 * RKI( 113 ) * YC ( GLYD ) ! OH+GLYD=0.2000D+...\n & + RKI( 121 ) * YC ( MGLY ) ! OH+MGLY=C2O3+CO\n & + RKI( 124 ) ! OH=MEO2+RO2\n & + RKI( 125 ) * YC ( ETHA ) ! OH+ETHA=0.9910D+...\n & + 1.0000D-01 * RKI( 127 ) * YC ( ETOH ) ! OH+ETOH=0.9000D+...\n & + RKI( 130 ) * YC ( ACET ) ! OH+ACET=FORM+...\n & + RKI( 131 ) * YC ( PRPA ) ! OH+PRPA=XPRP\n & + RKI( 132 ) * YC ( PAR ) ! OH+PAR=XPAR\n & + RKI( 138 ) * YC ( ETH ) ! OH+ETH=XO2H+RO2+...\n & + RKI( 142 ) * YC ( OLE ) ! OH+OLE=0.7810D+...\n & + RKI( 146 ) * YC ( IOLE ) ! OH+IOLE=0.1300D+...\n & + RKI( 149 ) * YC ( ISOP ) ! OH+ISOP=ISO2+RO2+...\n & + 8.6300D-01 * RKI( 158 ) * YC ( ISPD ) ! OH+ISPD=0.1370D+...\n & + 6.7000D-02 * RKI( 162 ) * YC ( ISPX ) ! OH+ISPX=0.9040D+...\n & + RKI( 165 ) * YC ( EPOX ) ! OH+EPOX=EPX2+RO2\n & + RKI( 170 ) * YC ( INTR ) ! OH+INTR=0.6300D+...\n & + RKI( 172 ) * YC ( TERP ) ! OH+TERP=0.7500D+...\n & + RKI( 176 ) * YC ( APIN ) ! OH+APIN=0.7500D+...\n & + 3.5200D-01 * RKI( 179 ) * YC ( BENZENE ) ! OH+BENZENE=...\n & + 7.2000D-01 * RKI( 184 ) * YC ( TOL ) ! OH+TOL=0.1800D+...\n & + 6.0100D-01 * RKI( 189 ) * YC ( XYLMN ) ! OH+XYLMN=0.1550D+...\n & + 6.0100D-01 * RKI( 190 ) * YC ( NAPH ) ! OH+NAPH=0.1550D+...\n & + RKI( 199 ) * YC ( CRON ) ! OH+CRON=NTR2+...\n & + RKI( 203 ) * YC ( XOPN ) ! OH+XOPN=MGLY+...\n & + RKI( 207 ) * YC ( OPEN ) ! OH+OPEN=0.6000D+...\n & + 8.0000D-01 * RKI( 210 ) * YC ( CAT1 ) ! OH+CAT1=0.2000D+...\n & + RKI( 218 ) * YC ( OPAN ) ! OH+OPAN=0.5000D+...\n & + RKI( 219 ) * YC ( PANX ) ! OH+PANX=ALD2+NO2\n & + RKI( 220 ) * YC ( ECH4 ) ! OH+ECH4=MEO2+RO2\n & + RKI( 225 ) * YC ( NO2 ) ! OH+NO2=HNO3\n & + RKI( 233 ) * YC ( FMCL ) ! OH+FMCL=CL+CO\n & + RKI( 248 ) * YC ( HCL ) ! OH+HCL=CL\n & + RKI( 348 ) * YC ( HBR ) ! OH+HBR=BR\n & + RKI( 353 ) * YC ( BR2 ) ! OH+BR2=HOBR+BR\n & + RKI( 363 ) * YC ( FMBR ) ! OH+FMBR=BR+CO\n & + RKI( 365 ) * YC ( MB3 ) ! OH+MB3=0.3000D+...\n & + RKI( 367 ) * YC ( MB2C ) ! OH+MB2C=0.2000D+...\n & + RKI( 368 ) * YC ( MBC2 ) ! OH+MBC2=BR+...\n & + RKI( 393 ) * YC ( I2 ) ! OH+I2=HOI+I\n & + RKI( 394 ) * YC ( HI ) ! OH+HI=I\n & + RKI( 395 ) * YC ( HOI ) ! OH+HOI=IO\n & + RKI( 417 ) * YC ( CH3I ) ! OH+CH3I=I+FORM\n & + RKI( 449 ) * YC ( DMS ) ! OH+DMS=SO2+MEO2+FORM\n & + RKI( 450 ) * YC ( DMS ) ! OH+DMS=0.7500D+...\n\n L4 = 1.0D0 + L4 * DTC + R5_4 + R19_4\n\nc..HO2 loss terms not included in R4_5 & R21_5 (except for HO2+HO2 )\n L5 = RKI( 18 ) * YC ( OH ) ! HO2+OH=\n & + 5.0000D-01 * RKI( 57 ) * YC ( C2O3 ) ! HO2+C2O3=0.5000D+...\n & + 5.0000D-01 * RKI( 65 ) * YC ( CXO3 ) ! HO2+CXO3=0.5000D+...\n & + RKI( 72 ) * YC ( MEO2 ) ! HO2+MEO2=0.9000D+...\n & + RKI( 76 ) * YC ( XO2H ) ! HO2+XO2H=ROOH\n & + RKI( 80 ) * YC ( XO2 ) ! HO2+XO2=ROOH\n & + RKI( 84 ) * YC ( XO2N ) ! HO2+XO2N=ROOH\n & + RKI( 101 ) * YC ( FORM ) ! HO2+FORM=HCO3\n & + 6.0000D-01 * RKI( 104 ) * YC ( HCO3 ) ! HO2+HCO3=0.2000D+...\n & + 7.6000D-01 * RKI( 152 ) * YC ( ISO2 ) ! HO2+ISO2=0.1200D+...\n & + RKI( 182 ) * YC ( BZO2 ) ! HO2+BZO2=\n & + RKI( 187 ) * YC ( TO2 ) ! HO2+TO2=\n & + RKI( 192 ) * YC ( XLO2 ) ! HO2+XLO2=\n & + RKI( 198 ) * YC ( CRO ) ! HO2+CRO=CRES\n & + 5.0000D-01 * RKI( 215 ) * YC ( OPO3 ) ! HO2+OPO3=0.5000D+...\n & + RKI( 231 ) * YC ( CLO ) ! HO2+CLO=HOCL\n & + RKI( 346 ) * YC ( BRO ) ! HO2+BRO=HOBR\n & + RKI( 347 ) * YC ( BR ) ! HO2+BR=HBR\n & + RKI( 392 ) * YC ( I ) ! HO2+I=HI\n & + RKI( 396 ) * YC ( IO ) ! HO2+IO=HOI\n\n L5 = 1.0D0 + L5 * DTC + R4_5 + R21_5\n\nc..HONO loss terms not included in R4_19\n L19 = 2.0000D+00 * RKI( 42 ) * YC ( HONO ) ! HONO+HONO=NO+NO2\n & + RKI( 44 ) * YC ( OH ) ! HONO+OH=NO2\n\n L19 = 1.0D0 + L19 * DTC + R4_19\n\nc..PNA loss terms not included in R5_21\n L21 = 4.1000D-01 * RKI( 50 ) ! PNA=0.5900D+...\n & + RKI( 51 ) * YC ( OH ) ! PNA+OH=NO2\n\n L21 = 1.0D0 + L21 * DTC + R5_21\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Solution section\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\nc..compute terms used to calculate a,b & c\n L21_INV = 1.0D0 / L21\n T1 = 1.0D0 / ( L4 * L19 - R4_19 * R19_4 )\n T2 = R5_4 * T1\n T3 = R5_21 * L21_INV\n\nc..solve quadratic equation for HO2\n A = 2.0D0 * ( RKI( 19 ) + RKI( 20 ) ) * DTC\n\n B = L5 - T3 * R21_5 - T2 * R4_5 * L19\n\n C = P5 + T3 * P21 + T2 * ( P4 * L19 + P19 * R4_19 )\n\n Q = -0.5D0 * ( B + SIGN( 1.0D0, B ) * SQRT( B * B + 4.0D0 * A * C ) )\n\n YCP( HO2 ) = MAX( Q / A , -C / Q )\n\nc..compute remaining species concentrations\n YCP( OH ) = ( ( P4 + R4_5 * YCP( HO2 ) ) * L19 + R4_19 * P19 ) * T1\n\n YCP( PNA ) = ( P21 + R21_5 * YCP( HO2 ) ) * L21_INV\n\n YCP( HONO ) = ( P19 + R19_4 * YCP( OH ) ) / L19\n\n RETURN\n\n END\n\n\n" }, { "path": "CCTM/src/gas/ebi_cb6r5m_ae7_aq/hrg3.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE HRG3( DTC )\n\nC**********************************************************************\nC\nC FUNCTION: To solve for the concentration of C2O3 and PAN\nC\nC PRECONDITIONS: For the CB6R5M_AE7_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Apr 5, 2022\nC\nC 18 Jul 14 B.Hutzell: revised to use real(8) variables\nC**********************************************************************\n USE HRDATA\n\n IMPLICIT NONE\n\nC..INCLUDES: NONE\n\nC..ARGUMENTS:\n REAL( 8 ), INTENT( IN ) :: DTC ! Time step\n\n\nC..PARAMETERS: NONE\n\n\nC..EXTERNAL FUNCTIONS: NONE\n\n\nC..SAVED LOCAL VARIABLES:\n! CHARACTER( 16 ), SAVE :: PNAME = 'HRG3' ! Program name\n\n\nC..SCRATCH LOCAL VARIABLES:\n REAL( 8 ) :: A, B, C, Q ! Quadratic equation terms\n REAL( 8 ) :: CMN ! Temp scalar\n REAL( 8 ) :: L8 ! Loss of CCO_O2\n REAL( 8 ) :: L9 ! Loss of PAN\n REAL( 8 ) :: P8 ! Production of CCO_O2\n\n REAL( 8 ) :: K8_8 ! Kc2o3+c2o3 * delta t\n REAL( 8 ) :: R8_9 ! Kpan-->c2o3 * delta t\n REAL( 8 ) :: R9_8 ! Kc2o3+no2-->pan * [NO2] * delta t\n\nC**********************************************************************\n\n\nc..Production of C2O3 (except from PAN )\n P8 = RXRAT( 95 ) ! PACD+OH=C2O3\n & + RXRAT( 105 ) ! ALD2+O=C2O3+OH\n & + RXRAT( 106 ) ! ALD2+OH=C2O3\n & + RXRAT( 107 ) ! ALD2+NO3=C2O3+HNO3\n & + 8.0000D-01 * RXRAT( 113 ) ! GLYD+OH=0.8000D+00*C2O3+...\n & + RXRAT( 115 ) ! GLYD+NO3=C2O3+HNO3\n & + RXRAT( 119 ) ! MGLY=C2O3+HO2+CO\n & + RXRAT( 120 ) ! MGLY+NO3=C2O3+HNO3+XO2+RO2\n & + RXRAT( 121 ) ! MGLY+OH=C2O3+CO\n & + 5.0000D-01 * RXRAT( 128 ) ! KET=0.5000D+00*C2O3+...\n & + 6.2000D-01 * RXRAT( 129 ) ! ACET=0.6200D+00*C2O3+...\n & + RXRAT( 130 ) ! ACET+OH=C2O3+FORM+XO2+RO2\n & + 2.6900D-01 * RXRAT( 158 ) ! ISPD+OH=0.2690D+00*C2O3+...\n & + 1.4300D-01 * RXRAT( 159 ) ! ISPD+O3=0.1430D+00*C2O3+...\n & + 2.0800D-01 * RXRAT( 161 ) ! ISPD=0.2080D+00*C2O3+...\n & + 3.0000D-01 * RXRAT( 202 ) ! XOPN=0.3000D+00*C2O3+XO2H+...\n & + 6.0000D-01 * RXRAT( 204 ) ! XOPN+O3=0.6000D+00*C2O3+...\n & + 1.2000D-01 * RXRAT( 208 ) ! OPEN+O3=0.1200D+00*C2O3+...\n & + RXRAT( 244 ) ! CL+ALD2=C2O3+HCL\n & + RXRAT( 360 ) ! ALD2+BR=C2O3+HBR\n\nc..Loss frequency of C2O3 ( not including C2O3 + C2O3 )\n L8 = RKI( 53 ) * YC ( NO ) ! C2O3+NO=NO2+MEO2+RO2\n & + RKI( 54 ) * YC ( NO2 ) ! C2O3+NO2=PAN\n & + RKI( 57 ) * YC ( HO2 ) ! C2O3+HO2=0.3700D+...\n & + RKI( 58 ) * YC ( RO2 ) ! C2O3+RO2=MEO2\n & + RKI( 60 ) * YC ( CXO3 ) ! C2O3+CXO3=MEO2+...\n & + RKI( 73 ) * YC ( MEO2 ) ! C2O3+MEO2=FORM+...\n & + RKI( 77 ) * YC ( XO2H ) ! C2O3+XO2H=...\n & + RKI( 81 ) * YC ( XO2 ) ! C2O3+XO2=0.8000D+...\n & + RKI( 85 ) * YC ( XO2N ) ! C2O3+XO2N=...\n & + RKI( 153 ) * YC ( ISO2 ) ! C2O3+ISO2=...\n & + RKI( 168 ) * YC ( EPX2 ) ! C2O3+EPX2=...\n & + RKI( 181 ) * YC ( BZO2 ) ! C2O3+BZO2=GLY+...\n & + RKI( 186 ) * YC ( TO2 ) ! C2O3+TO2=0.4800D+...\n & + RKI( 193 ) * YC ( XLO2 ) ! C2O3+XLO2=...\n & + RKI( 216 ) * YC ( OPO3 ) ! C2O3+OPO3=MEO2+...\n\nc..Loss frequency of PAN\n L9 = RKI( 55 ) ! PAN=NO2+C2O3\n & + RKI( 56 ) ! PAN=0.6000D+...\n\nc..K8_8, R8_9, and R9_8 terms\n K8_8 = RKI( 59 ) * DTC\n\n R8_9 = ( RKI( 55 )\n & + RKI( 56 ) ) * DTC \n\n R9_8 = ( RKI( 54 ) * YC( NO2 ) ) * DTC \n\nc..Solution of quadratic equation to get C2O3 & PAN\n CMN = 1.0 + L9 * DTC\n A = 2.0D0 * K8_8 * CMN\n B = CMN * ( 1.0D0 + L8 * DTC ) - R8_9 * R9_8\n C = CMN * ( YC0( C2O3 ) + P8 * DTC ) + R8_9 * YC0( PAN )\n\n Q = -0.5D0 * ( B + SIGN( 1.0D0, B ) * SQRT( B * B + 4.0D0 * A * C ) )\n\n YCP( C2O3 ) = MAX( Q / A , -C / Q )\n\n YCP( PAN ) = ( YC0( PAN ) + R9_8 * YCP( C2O3 ) ) / CMN\n\n RETURN\n\n END\n" }, { "path": "CCTM/src/gas/ebi_cb6r5m_ae7_aq/hrg4.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE HRG4( DTC )\n\nC**********************************************************************\nC\nC FUNCTION: To solve for the concentration of NO3 and N2O5\nC\nC PRECONDITIONS: For the CB6R5M_AE7_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Apr 5, 2022\nC\nC 18 Jul 14 B.Hutzell: revised to use real(8) variables\nC**********************************************************************\n USE HRDATA\n\n IMPLICIT NONE\n\n\nC..INCLUDES: NONE\n\n\nC..ARGUMENTS:\n REAL( 8 ), INTENT( IN ) :: DTC ! Time step\n\n\nC..PARAMETERS: NONE\n\n\nC..EXTERNAL FUNCTIONS: NONE\n\n\nC..SAVED LOCAL VARIABLES:\n! CHARACTER( 16 ), SAVE :: PNAME = 'HRG4' ! Program name\n\n\nC..SCRATCH LOCAL VARIABLES:\n REAL( 8 ) :: A, B, C, Q ! Quadratic equation terms\n REAL( 8 ) :: CMN ! Temp scalar\n REAL( 8 ) :: L15 ! Loss of NO3\n REAL( 8 ) :: L16 ! Loss of N2O5\n REAL( 8 ) :: P15 ! Production of NO3\n REAL( 8 ) :: K15_15 ! Kno3+no3 * delta t\n REAL( 8 ) :: R15_16 ! Kn2o5-->no3 * delta t\n REAL( 8 ) :: R16_15 ! Kno3+no2-->n2o5[NO2] * delta t\n\n\nC**********************************************************************\n\n\nc..Production of NO3 (except from N2O5 )\n P15 = RKI( 6 ) * YCP( O ) * YCP( NO2 ) ! O+NO2=NO3\n & + RKI( 26 ) * YCP( NO2 ) * YCP( O3 ) ! NO2+O3=NO3\n & + RKI( 46 ) * YC ( HNO3 ) * YCP( OH ) ! HNO3+OH=NO3\n & + 4.1000D-01 * RKI( 50 ) * YC ( PNA ) ! PNA=0.4100D+00*NO3+0.5900D+...\n & + 4.0000D-01 * RKI( 56 ) * YC ( PAN ) ! PAN=0.4000D+00*NO3+0.6000D+...\n & + 4.0000D-01 * RKI( 64 ) * YC ( PANX ) ! PANX=0.4000D+00*NO3+...\n & + 1.8500D-01 * RKI( 170 ) * YC ( INTR ) * YCP( OH ) ! INTR+OH=0.1850D+00*NO3+...\n & + RKI( 255 ) * YC ( CLNO3 ) ! CLNO3=NO3+CL\n & + RKI( 352 ) * YC ( BR ) * YC ( BRNO3 ) ! BR+BRNO3=NO3+BR2\n & + RKI( 376 ) * YC ( BRNO3 ) ! BRNO3=NO3+BR\n & + RKI( 401 ) * YC ( INO3 ) * YC ( I ) ! INO3+I=NO3+I2\n & + RKI( 425 ) * YC ( INO3 ) ! INO3=NO3+I\n\nc..Loss frequency of NO3 ( except NO3 + NO3 if present )\n L15 = RKI( 27 ) ! NO3=NO2+O\n & + RKI( 28 ) ! NO3=NO\n & + RKI( 29 ) * YCP( NO ) ! NO3+NO=0.2000D+...\n & + RKI( 30 ) * YCP( NO2 ) ! NO3+NO2=NO+NO2\n & + RKI( 31 ) * YCP( O ) ! NO3+O=NO2\n & + RKI( 32 ) * YCP( OH ) ! NO3+OH=HO2+NO2\n & + RKI( 33 ) * YCP( HO2 ) ! NO3+HO2=OH+NO2\n & + RKI( 34 ) * YCP( O3 ) ! NO3+O3=NO2\n & + RKI( 36 ) * YCP( NO2 ) ! NO3+NO2=N2O5\n & + RKI( 100 ) * YC ( FORM ) ! NO3+FORM=HNO3+HO2+CO\n & + RKI( 107 ) * YC ( ALD2 ) ! NO3+ALD2=C2O3+HNO3\n & + RKI( 111 ) * YC ( ALDX ) ! NO3+ALDX=CXO3+HNO3\n & + RKI( 115 ) * YC ( GLYD ) ! NO3+GLYD=HNO3+C2O3\n & + RKI( 118 ) * YC ( GLY ) ! NO3+GLY=HNO3+...\n & + RKI( 120 ) * YC ( MGLY ) ! NO3+MGLY=HNO3+...\n & + RKI( 140 ) * YC ( ETH ) ! NO3+ETH=0.5000D+...\n & + RKI( 144 ) * YC ( OLE ) ! NO3+OLE=0.5000D+...\n & + RKI( 148 ) * YC ( IOLE ) ! NO3+IOLE=0.5000D+...\n & + RKI( 157 ) * YC ( ISOP ) ! NO3+ISOP=0.3500D+...\n & + RKI( 160 ) * YC ( ISPD ) ! NO3+ISPD=0.7170D+...\n & + RKI( 164 ) * YC ( HPLD ) ! NO3+HPLD=HNO3+ISPD\n & + RKI( 174 ) * YC ( TERP ) ! NO3+TERP=0.4700D+...\n & + RKI( 178 ) * YC ( APIN ) ! NO3+APIN=0.4700D+...\n & + RKI( 196 ) * YC ( CRES ) ! NO3+CRES=0.3000D+...\n & + RKI( 200 ) * YC ( CRON ) ! NO3+CRON=NTR2+...\n & + RKI( 205 ) * YC ( XOPN ) ! NO3+XOPN=0.5000D+...\n & + RKI( 209 ) * YC ( OPEN ) ! NO3+OPEN=OPO3+HNO3\n & + RKI( 211 ) * YC ( CAT1 ) ! NO3+CAT1=CRO+HNO3\n & + RKI( 355 ) * YC ( BR ) ! NO3+BR=BRO+NO2\n & + RKI( 400 ) * YC ( I2 ) ! NO3+I2=I+INO3\n & + RKI( 435 ) * YC ( HOI ) ! NO3+HOI=IO+HNO3\n & + RKI( 451 ) * YC ( DMS ) ! NO3+DMS=SO2+HNO3+...\n\nc..Loss frequency of N2O5\n L16 = RKI( 37 ) ! N2O5=NO3+NO2\n & + RKI( 38 ) ! N2O5=NO2+NO3\n & + RKI( 39 ) ! N2O5=0.2000D+01*HNO3\n & + RKI( 271 ) ! N2O5=HNO3+H2NO3PIJ\n & + RKI( 272 ) ! N2O5=HNO3+H2NO3PK\n\nc..K15_15, R15_16, and R16_15 terms\n K15_15 = RKI( 35 ) * DTC\n\n R15_16 = ( RKI( 37 )\n & + RKI( 38 ) ) * DTC \n\n\n R16_15 = RKI( 36 ) * YCP( NO2 ) * DTC\n\nc..Solution of quadratic equation to get NO3 & N2O5\n CMN = 1.0D0 + L16 * DTC\n A = 2.0D0 * K15_15 * CMN\n B = CMN * ( 1.0D0 + L15 * DTC ) - R15_16 * R16_15\n C = CMN * ( YC0( NO3 ) + P15 * DTC ) + R15_16 * YC0( N2O5 )\n\n Q = -0.5D0 * ( B + SIGN( 1.0D0, B ) * SQRT( B * B + 4.0D0 * A * C ) )\n YCP( NO3 ) = MAX( Q / A , -C / Q )\n YCP( N2O5 ) = ( YC0( N2O5 ) + R16_15 * YCP( NO3 ) ) / CMN\n\n RETURN\n\n END\n" }, { "path": "CCTM/src/gas/ebi_cb6r5m_ae7_aq/hrinit.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\n SUBROUTINE HRINIT\nC***********************************************************************\nC\nC FUNCTION: To initialize species tolerances, arrays, and indices\nC\nC PRECONDITIONS: For the CB6R5M_AE7_AQ mechanism\nC\nC RETURN VALUES: None\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Apr 21, 2022\nC 21 Jun 10 J.Young: convert for Namelist redesign\nC 18 Jul 14 B.Hutzell: revised to use the RXNS_DATA and RXNS_FUNCTION\nC modules instead of include files\nC***********************************************************************\n\n USE UTILIO_DEFN\n USE HRDATA\n USE RXNS_DATA\n USE RXNS_FUNCTION\n\n IMPLICIT NONE\n\nC.....INCLUDES:\n Include SUBST_CONST ! common constants\n\nC.....ARGUMENTS: NONE\n\nC.....PARAMETERS: NONE\n\n\nC.....SAVED VARIABLES:\n CHARACTER( 16 ), SAVE :: PNAME = 'HRINIT' ! Program name\n\n\nC.....LOCAL VARIABLES:\n CHARACTER( 132 ) :: MSG ! Log message\n\n INTEGER N ! Loop index\n INTEGER IOS ! Allocate error status\n\nC***********************************************************************\n\n N_SPEC = NUMB_MECH_SPC\n N_RXNS = NRXNS\n N_SPCL_RKS = 0\n ALLOCATE( RKI( NRXNS ),\n & RKI_SAV( MAX_CELLS_EBI, NRXNS ),\n & FORWARD_CONV( NUMB_MECH_SPC),\n & REVERSE_CONV( NUMB_MECH_SPC),\n & RXRAT( NRXNS ),\n & RTOL( NUMB_MECH_SPC),\n & YC( NUMB_MECH_SPC),\n & YC0( NUMB_MECH_SPC),\n & YCP( NUMB_MECH_SPC),\n & PROD( NUMB_MECH_SPC),\n & LOSS( NUMB_MECH_SPC),\n & PNEG( N_SPEC),\n & STAT = IOS )\n\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating RKI, RXRAT, RTOL, YC, YC0, YCP, FORWARD_CONV, '\n & // 'REVERSE_CONV, PROD, LOSS, or PNEG'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n ALLOCATE( ATMPRES( MAX_CELLS_EBI ),\n & H2O ( MAX_CELLS_EBI ),\n & TEMP ( MAX_CELLS_EBI ),\n & DENSITY( MAX_CELLS_EBI ),\n & HET ( MAX_CELLS_EBI, NHETERO ),\n & RJIN ( MAX_CELLS_EBI, NPHOTAB ),\n & SEAWATER ( MAX_CELLS_EBI ) ,\n & STAT = IOS )\n\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating ATMPRES, H2O, TEMP, HET, RJIN, SEAWATER '\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n IF( NSPECIAL .GT. 0 )THEN\n ALLOCATE( SYC( MAX_CELLS_EBI, NUMB_MECH_SPC ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating SYC'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n ALLOCATE( IOLD2NEW( NUMB_MECH_SPC, 1 ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating IOLD2NEW'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n DO N = 1, NUMB_MECH_SPC\n IOLD2NEW( N, 1 ) = N\n END DO\n END IF\n\n IF( .NOT. MAP_CHEMISTRY_SPECIES() )THEN\n MSG = 'Detected above error(s) when mapping Chemistry species from CGRID species'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n\n DO N = 1, NUMB_MECH_SPC\n FORWARD_CONV( N ) = 1.0E-3 * MWAIR / SPECIES_MOLWT( N )\n REVERSE_CONV( N ) = 1.0E+3 / MWAIR * SPECIES_MOLWT( N )\n END DO\n\n! initialize all reaction rates to zero so unused array elements are defined\n\n RXRAT = 0.0D0\n\n! initialize all production and loss rates to zero so unused array elements are defined\n\n PROD = 0.0D0\n LOSS = 0.0D0\n\n NING1 = 4\n NING2 = 4\n\n ALLOCATE( YCCELL( MODEL_SPECIES), STAT = IOS ) ! array for degradation routines\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating YCCELL '\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n\nc..Allocate and define ebi species\n\n N_EBISP = 169\n ALLOCATE( EBISP( N_EBISP ), STAT = IOS ) \n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating EBISP' \n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n EBISP( 1 ) = H2O2\n EBISP( 2 ) = HNO3\n EBISP( 3 ) = SO2\n EBISP( 4 ) = SULF\n EBISP( 5 ) = SULRXN\n EBISP( 6 ) = MEO2\n EBISP( 7 ) = RO2\n EBISP( 8 ) = PACD\n EBISP( 9 ) = AACD\n EBISP( 10 ) = CXO3\n EBISP( 11 ) = ALD2\n EBISP( 12 ) = XO2H\n EBISP( 13 ) = PANX\n EBISP( 14 ) = FORM\n EBISP( 15 ) = MEPX\n EBISP( 16 ) = MEOH\n EBISP( 17 ) = ROOH\n EBISP( 18 ) = XO2\n EBISP( 19 ) = XO2N\n EBISP( 20 ) = NTR1\n EBISP( 21 ) = NTR2\n EBISP( 22 ) = FACD\n EBISP( 23 ) = CO\n EBISP( 24 ) = HCO3\n EBISP( 25 ) = ALDX\n EBISP( 26 ) = GLYD\n EBISP( 27 ) = GLY\n EBISP( 28 ) = MGLY\n EBISP( 29 ) = ETHA\n EBISP( 30 ) = ETOH\n EBISP( 31 ) = KET\n EBISP( 32 ) = PAR\n EBISP( 33 ) = ACET\n EBISP( 34 ) = PRPA\n EBISP( 35 ) = XPRP\n EBISP( 36 ) = XPAR\n EBISP( 37 ) = ROR\n EBISP( 38 ) = ETHY\n EBISP( 39 ) = ETH\n EBISP( 40 ) = OLE\n EBISP( 41 ) = IOLE\n EBISP( 42 ) = ISOP\n EBISP( 43 ) = ISO2\n EBISP( 44 ) = ISOPRXN\n EBISP( 45 ) = ISPD\n EBISP( 46 ) = INTR\n EBISP( 47 ) = ISPX\n EBISP( 48 ) = HPLD\n EBISP( 49 ) = OPO3\n EBISP( 50 ) = EPOX\n EBISP( 51 ) = EPX2\n EBISP( 52 ) = TERP\n EBISP( 53 ) = TRPRXN\n EBISP( 54 ) = TERPNRO2\n EBISP( 55 ) = APIN\n EBISP( 56 ) = BENZENE\n EBISP( 57 ) = CRES\n EBISP( 58 ) = BZO2\n EBISP( 59 ) = OPEN\n EBISP( 60 ) = BENZRO2\n EBISP( 61 ) = TOL\n EBISP( 62 ) = TO2\n EBISP( 63 ) = TOLRO2\n EBISP( 64 ) = XOPN\n EBISP( 65 ) = XYLMN\n EBISP( 66 ) = XLO2\n EBISP( 67 ) = XYLRO2\n EBISP( 68 ) = NAPH\n EBISP( 69 ) = PAHRO2\n EBISP( 70 ) = CRO\n EBISP( 71 ) = CAT1\n EBISP( 72 ) = CRON\n EBISP( 73 ) = OPAN\n EBISP( 74 ) = ECH4\n EBISP( 75 ) = CL2\n EBISP( 76 ) = CL\n EBISP( 77 ) = HOCL\n EBISP( 78 ) = CLO\n EBISP( 79 ) = FMCL\n EBISP( 80 ) = HCL\n EBISP( 81 ) = CLNO2\n EBISP( 82 ) = CLNO3\n EBISP( 83 ) = SVAVB2\n EBISP( 84 ) = SVAVB3\n EBISP( 85 ) = SVAVB4\n EBISP( 86 ) = SVAVB1\n EBISP( 87 ) = SESQ\n EBISP( 88 ) = SESQRXN\n EBISP( 89 ) = SOAALK\n EBISP( 90 ) = H2NO3PIJ\n EBISP( 91 ) = H2NO3PK\n EBISP( 92 ) = ACLI\n EBISP( 93 ) = ACLJ\n EBISP( 94 ) = ACLK\n EBISP( 95 ) = IEPOXP\n EBISP( 96 ) = ASO4J\n EBISP( 97 ) = AISO3J\n EBISP( 98 ) = AGLYJ\n EBISP( 99 ) = MTNO3\n EBISP( 100 ) = AMTNO3J\n EBISP( 101 ) = AMTHYDJ\n EBISP( 102 ) = AAVB2J\n EBISP( 103 ) = AOLGAJ\n EBISP( 104 ) = AAVB3J\n EBISP( 105 ) = AAVB4J\n EBISP( 106 ) = AISO1J\n EBISP( 107 ) = AOLGBJ\n EBISP( 108 ) = AISO2J\n EBISP( 109 ) = ASQTJ\n EBISP( 110 ) = APOCI\n EBISP( 111 ) = APNCOMI\n EBISP( 112 ) = APOCJ\n EBISP( 113 ) = APNCOMJ\n EBISP( 114 ) = PCVOC\n EBISP( 115 ) = PCSOARXN\n EBISP( 116 ) = VLVPO1\n EBISP( 117 ) = VSVPO1\n EBISP( 118 ) = VSVPO2\n EBISP( 119 ) = VSVPO3\n EBISP( 120 ) = VIVPO1\n EBISP( 121 ) = VLVOO1\n EBISP( 122 ) = VLVOO2\n EBISP( 123 ) = VSVOO2\n EBISP( 124 ) = VSVOO3\n EBISP( 125 ) = VSVOO1\n EBISP( 126 ) = FORM_PRIMARY\n EBISP( 127 ) = ALD2_PRIMARY\n EBISP( 128 ) = BUTADIENE13\n EBISP( 129 ) = ACROLEIN\n EBISP( 130 ) = ACRO_PRIMARY\n EBISP( 131 ) = TOLU\n EBISP( 132 ) = HG\n EBISP( 133 ) = HGIIAER\n EBISP( 134 ) = HGIIGAS\n EBISP( 135 ) = BR\n EBISP( 136 ) = BRO\n EBISP( 137 ) = HOBR\n EBISP( 138 ) = HBR\n EBISP( 139 ) = BR2\n EBISP( 140 ) = BRNO3\n EBISP( 141 ) = BRNO2\n EBISP( 142 ) = FMBR\n EBISP( 143 ) = MB3\n EBISP( 144 ) = MB2\n EBISP( 145 ) = MB2C\n EBISP( 146 ) = MBC2\n EBISP( 147 ) = MBC\n EBISP( 148 ) = DMS\n EBISP( 149 ) = MSA\n EBISP( 150 ) = BRCL\n EBISP( 151 ) = ABRJ\n EBISP( 152 ) = I\n EBISP( 153 ) = IO\n EBISP( 154 ) = HI\n EBISP( 155 ) = I2\n EBISP( 156 ) = HOI\n EBISP( 157 ) = INO\n EBISP( 158 ) = INO2\n EBISP( 159 ) = INO3\n EBISP( 160 ) = OIO\n EBISP( 161 ) = I2O4\n EBISP( 162 ) = I2O2\n EBISP( 163 ) = I2O3\n EBISP( 164 ) = CH3I\n EBISP( 165 ) = ICL\n EBISP( 166 ) = IBR\n EBISP( 167 ) = MI2\n EBISP( 168 ) = MIB\n EBISP( 169 ) = MIC\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Set species tolerances\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n RTOL( NO2 ) = 5.0D-04\n RTOL( NO ) = 5.0D-04\n RTOL( O ) = 1.0D+00\n RTOL( O3 ) = 5.0D-04\n RTOL( NO3 ) = 5.0D-04\n RTOL( O1D ) = 1.0D+00\n RTOL( OH ) = 5.0D-04\n RTOL( HO2 ) = 5.0D-04\n RTOL( H2O2 ) = 5.0D-04\n RTOL( N2O5 ) = 5.0D-04\n RTOL( HNO3 ) = 5.0D-04\n RTOL( HONO ) = 5.0D-04\n RTOL( PNA ) = 5.0D-04\n RTOL( SO2 ) = 5.0D-04\n RTOL( SULF ) = 1.0D+00\n RTOL( SULRXN ) = 1.0D+00\n RTOL( C2O3 ) = 5.0D-04\n RTOL( MEO2 ) = 5.0D-04\n RTOL( RO2 ) = 5.0D-04\n RTOL( PAN ) = 5.0D-04\n RTOL( PACD ) = 5.0D-04\n RTOL( AACD ) = 5.0D-04\n RTOL( CXO3 ) = 5.0D-04\n RTOL( ALD2 ) = 5.0D-04\n RTOL( XO2H ) = 5.0D-04\n RTOL( PANX ) = 5.0D-04\n RTOL( FORM ) = 5.0D-04\n RTOL( MEPX ) = 5.0D-04\n RTOL( MEOH ) = 5.0D-04\n RTOL( ROOH ) = 5.0D-04\n RTOL( XO2 ) = 5.0D-04\n RTOL( XO2N ) = 5.0D-04\n RTOL( NTR1 ) = 5.0D-04\n RTOL( NTR2 ) = 5.0D-04\n RTOL( FACD ) = 5.0D-04\n RTOL( CO ) = 5.0D-04\n RTOL( HCO3 ) = 1.0D+00\n RTOL( ALDX ) = 5.0D-04\n RTOL( GLYD ) = 5.0D-04\n RTOL( GLY ) = 5.0D-04\n RTOL( MGLY ) = 5.0D-04\n RTOL( ETHA ) = 5.0D-04\n RTOL( ETOH ) = 5.0D-04\n RTOL( KET ) = 5.0D-04\n RTOL( PAR ) = 5.0D-04\n RTOL( ACET ) = 5.0D-04\n RTOL( PRPA ) = 5.0D-04\n RTOL( XPRP ) = 5.0D-04\n RTOL( XPAR ) = 5.0D-04\n RTOL( ROR ) = 5.0D-04\n RTOL( ETHY ) = 5.0D-04\n RTOL( ETH ) = 5.0D-04\n RTOL( OLE ) = 5.0D-04\n RTOL( IOLE ) = 5.0D-04\n RTOL( ISOP ) = 5.0D-04\n RTOL( ISO2 ) = 5.0D-04\n RTOL( ISOPRXN ) = 1.0D+00\n RTOL( ISPD ) = 5.0D-04\n RTOL( INTR ) = 5.0D-04\n RTOL( ISPX ) = 5.0D-04\n RTOL( HPLD ) = 5.0D-04\n RTOL( OPO3 ) = 5.0D-04\n RTOL( EPOX ) = 5.0D-04\n RTOL( EPX2 ) = 5.0D-04\n RTOL( TERP ) = 5.0D-04\n RTOL( TRPRXN ) = 1.0D+00\n RTOL( TERPNRO2 ) = 5.0D-04\n RTOL( APIN ) = 5.0D-04\n RTOL( BENZENE ) = 5.0D-04\n RTOL( CRES ) = 5.0D-04\n RTOL( BZO2 ) = 5.0D-04\n RTOL( OPEN ) = 5.0D-04\n RTOL( BENZRO2 ) = 5.0D-04\n RTOL( TOL ) = 5.0D-04\n RTOL( TO2 ) = 5.0D-04\n RTOL( TOLRO2 ) = 5.0D-04\n RTOL( XOPN ) = 5.0D-04\n RTOL( XYLMN ) = 5.0D-04\n RTOL( XLO2 ) = 5.0D-04\n RTOL( XYLRO2 ) = 5.0D-04\n RTOL( NAPH ) = 5.0D-04\n RTOL( PAHRO2 ) = 1.0D+00\n RTOL( CRO ) = 5.0D-04\n RTOL( CAT1 ) = 5.0D-04\n RTOL( CRON ) = 5.0D-04\n RTOL( OPAN ) = 5.0D-04\n RTOL( ECH4 ) = 5.0D-04\n RTOL( CL2 ) = 5.0D-04\n RTOL( CL ) = 5.0D-04\n RTOL( HOCL ) = 5.0D-04\n RTOL( CLO ) = 5.0D-04\n RTOL( FMCL ) = 5.0D-04\n RTOL( HCL ) = 5.0D-04\n RTOL( CLNO2 ) = 5.0D-04\n RTOL( CLNO3 ) = 5.0D-04\n RTOL( SVAVB2 ) = 5.0D-04\n RTOL( SVAVB3 ) = 5.0D-04\n RTOL( SVAVB4 ) = 5.0D-04\n RTOL( SVAVB1 ) = 5.0D-04\n RTOL( SESQ ) = 5.0D-04\n RTOL( SESQRXN ) = 1.0D+00\n RTOL( SOAALK ) = 5.0D-04\n RTOL( H2NO3PIJ ) = 5.0D-04\n RTOL( H2NO3PK ) = 5.0D-04\n RTOL( ACLI ) = 5.0D-04\n RTOL( ACLJ ) = 5.0D-04\n RTOL( ACLK ) = 5.0D-04\n RTOL( IEPOXP ) = 5.0D-04\n RTOL( ASO4J ) = 5.0D-04\n RTOL( AISO3J ) = 5.0D-04\n RTOL( AGLYJ ) = 5.0D-04\n RTOL( MTNO3 ) = 5.0D-04\n RTOL( AMTNO3J ) = 5.0D-04\n RTOL( AMTHYDJ ) = 5.0D-04\n RTOL( AAVB2J ) = 5.0D-04\n RTOL( AOLGAJ ) = 5.0D-04\n RTOL( AAVB3J ) = 5.0D-04\n RTOL( AAVB4J ) = 5.0D-04\n RTOL( AISO1J ) = 5.0D-04\n RTOL( AOLGBJ ) = 5.0D-04\n RTOL( AISO2J ) = 5.0D-04\n RTOL( ASQTJ ) = 5.0D-04\n RTOL( APOCI ) = 5.0D-04\n RTOL( APNCOMI ) = 5.0D-04\n RTOL( APOCJ ) = 5.0D-04\n RTOL( APNCOMJ ) = 5.0D-04\n RTOL( PCVOC ) = 5.0D-04\n RTOL( PCSOARXN ) = 5.0D-04\n RTOL( VLVPO1 ) = 5.0D-04\n RTOL( VSVPO1 ) = 5.0D-04\n RTOL( VSVPO2 ) = 5.0D-04\n RTOL( VSVPO3 ) = 5.0D-04\n RTOL( VIVPO1 ) = 5.0D-04\n RTOL( VLVOO1 ) = 5.0D-04\n RTOL( VLVOO2 ) = 5.0D-04\n RTOL( VSVOO2 ) = 5.0D-04\n RTOL( VSVOO3 ) = 5.0D-04\n RTOL( VSVOO1 ) = 5.0D-04\n RTOL( FORM_PRIMARY ) = 5.0D-04\n RTOL( ALD2_PRIMARY ) = 5.0D-04\n RTOL( BUTADIENE13 ) = 5.0D-04\n RTOL( ACROLEIN ) = 5.0D-04\n RTOL( ACRO_PRIMARY ) = 5.0D-04\n RTOL( TOLU ) = 5.0D-04\n RTOL( HG ) = 5.0D-04\n RTOL( HGIIAER ) = 5.0D-04\n RTOL( HGIIGAS ) = 5.0D-04\n RTOL( BR ) = 5.0D-04\n RTOL( BRO ) = 5.0D-04\n RTOL( HOBR ) = 5.0D-04\n RTOL( HBR ) = 5.0D-04\n RTOL( BR2 ) = 5.0D-04\n RTOL( BRNO3 ) = 5.0D-04\n RTOL( BRNO2 ) = 5.0D-04\n RTOL( FMBR ) = 5.0D-04\n RTOL( MB3 ) = 5.0D-04\n RTOL( MB2 ) = 5.0D-04\n RTOL( MB2C ) = 5.0D-04\n RTOL( MBC2 ) = 5.0D-04\n RTOL( MBC ) = 5.0D-04\n RTOL( DMS ) = 5.0D-04\n RTOL( MSA ) = 5.0D-04\n RTOL( BRCL ) = 5.0D-04\n RTOL( ABRJ ) = 5.0D-04\n RTOL( I ) = 1.0D-05\n RTOL( IO ) = 1.0D-05\n RTOL( HI ) = 5.0D-04\n RTOL( I2 ) = 5.0D-04\n RTOL( HOI ) = 1.0D-05\n RTOL( INO ) = 5.0D-04\n RTOL( INO2 ) = 5.0D-04\n RTOL( INO3 ) = 1.0D-05\n RTOL( OIO ) = 5.0D-04\n RTOL( I2O4 ) = 5.0D-04\n RTOL( I2O2 ) = 5.0D-04\n RTOL( I2O3 ) = 5.0D-04\n RTOL( CH3I ) = 5.0D-04\n RTOL( ICL ) = 5.0D-04\n RTOL( IBR ) = 5.0D-04\n RTOL( MI2 ) = 5.0D-04\n RTOL( MIB ) = 5.0D-04\n RTOL( MIC ) = 5.0D-04\n\n\n RETURN\n\n END\n" }, { "path": "CCTM/src/gas/ebi_cb6r5m_ae7_aq/hrprodloss.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE HRPRODLOSS\n\nC***********************************************************************\nC\nC FUNCTION: To compute the production and loss rates for EBI species\nC\nC PRECONDITIONS: For the CB6R5M_AE7_AQ mechanism\nC\nC RETURN VALUES: None\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Apr 5, 2022\nC\nC 18 Jul 14 B.Hutzell: revised to use real(8) variables\n\nC***********************************************************************\n USE HRDATA\n\n IMPLICIT NONE\n\n\nC.....INCLUDES: NONE\n\n\nC.....ARGUMENTS: NONE\n\n\nC.....PARAMETERS: NONE\n\n\nC.....EXTERNAL FUNCTIONS: NONE\n\n\nC.....SAVED VARIABLES: NONE\n! CHARACTER( 16 ), SAVE :: PNAME = 'HRPRODLOSS' ! Program name\n\n\nC.....LOCAL VARIABLES:\n\n\nC***********************************************************************\n\n\n PROD( H2O2 ) = RXRAT( 17 ) ! OH+OH=H2O2\n & + RXRAT( 19 ) ! HO2+HO2=H2O2\n & + RXRAT( 20 ) ! HO2+HO2=H2O2\n & + 4.0000D-02 * RXRAT( 143 ) ! OLE+O3=0.4000D-01*H2O2+...\n & + 8.0000D-02 * RXRAT( 147 ) ! IOLE+O3=0.8000D-01*H2O2+...\n LOSS( H2O2 ) = RXRAT( 21 ) ! H2O2=0.2000D+01*OH\n & + RXRAT( 22 ) ! H2O2+OH=HO2\n & + RXRAT( 23 ) ! H2O2+O=OH+HO2\n\n PROD( HNO3 ) = 2.0000D+00 * RXRAT( 39 ) ! N2O5=0.2000D+01*HNO3\n & + RXRAT( 45 ) ! NO2+OH=HNO3\n & + RXRAT( 100 ) ! FORM+NO3=HNO3+HO2+CO\n & + RXRAT( 107 ) ! ALD2+NO3=HNO3+C2O3\n & + RXRAT( 111 ) ! ALDX+NO3=HNO3+CXO3\n & + RXRAT( 115 ) ! GLYD+NO3=HNO3+C2O3\n & + RXRAT( 118 ) ! GLY+NO3=HNO3+0.1500D+01*CO+...\n & + RXRAT( 120 ) ! MGLY+NO3=HNO3+C2O3+XO2+RO2\n & + 7.1700D-01 * RXRAT( 160 ) ! ISPD+NO3=0.7170D+00*HNO3+...\n & + RXRAT( 164 ) ! HPLD+NO3=HNO3+ISPD\n & + RXRAT( 196 ) ! CRES+NO3=HNO3+0.3000D+...\n & + RXRAT( 200 ) ! CRON+NO3=HNO3+0.5000D+...\n & + RXRAT( 209 ) ! OPEN+NO3=HNO3+OPO3\n & + RXRAT( 211 ) ! CAT1+NO3=HNO3+CRO\n & + RXRAT( 225 ) ! NO2+OH=HNO3\n & + RXRAT( 256 ) ! CLNO3=HNO3+HOCL\n & + RXRAT( 257 ) ! CLNO3=HNO3+HOCL\n & + RXRAT( 270 ) ! NTR2=HNO3\n & + RXRAT( 271 ) ! N2O5=HNO3+H2NO3PIJ\n & + RXRAT( 272 ) ! N2O5=HNO3+H2NO3PK\n & + RXRAT( 273 ) ! H2NO3PIJ=HNO3\n & + RXRAT( 274 ) ! H2NO3PK=HNO3\n & + 5.0000D-01 * RXRAT( 278 ) ! NO2=0.5000D+00*HNO3+...\n & + RXRAT( 382 ) ! BRNO3=HNO3+HOBR\n & + RXRAT( 383 ) ! BRNO3=HNO3+HOBR\n & + RXRAT( 386 ) ! BRNO3+ACLJ=HNO3+BRCL\n & + RXRAT( 387 ) ! BRNO3+ABRJ=HNO3+BR2\n & + RXRAT( 435 ) ! HOI+NO3=HNO3+IO\n & + RXRAT( 443 ) ! INO3+ACLJ=HNO3+ICL\n & + RXRAT( 444 ) ! INO3+ABRJ=HNO3+IBR\n & + RXRAT( 451 ) ! DMS+NO3=HNO3+SO2+MEO2+FORM\n LOSS( HNO3 ) = RXRAT( 46 ) ! HNO3+OH=NO3\n & + RXRAT( 47 ) ! HNO3=OH+NO2\n\n PROD( SO2 ) = 7.5000D-01 * RXRAT( 370 ) ! DMS+BRO=0.7500D+00*SO2+...\n & + 7.5000D-01 * RXRAT( 418 ) ! DMS+IO=0.7500D+00*SO2+...\n & + RXRAT( 449 ) ! DMS+OH=SO2+MEO2+FORM\n & + 7.5000D-01 * RXRAT( 450 ) ! DMS+OH=0.7500D+00*SO2+...\n & + RXRAT( 451 ) ! DMS+NO3=SO2+HNO3+MEO2+FORM\n & + 8.6000D-01 * RXRAT( 452 ) ! DMS+CL=0.8600D+00*SO2+MEO2+...\n & + 7.5000D-01 * RXRAT( 453 ) ! DMS+CLO=0.7500D+00*SO2+...\n LOSS( SO2 ) = RXRAT( 52 ) ! SO2+OH=SULF+HO2+SULRXN\n\n PROD( SULF ) = RXRAT( 52 ) ! SO2+OH=SULF+HO2+SULRXN\n LOSS( SULF ) = 0.0D0\n\n PROD( SULRXN ) = RXRAT( 52 ) ! SO2+OH=SULRXN+HO2+SULF\n LOSS( SULRXN ) = 0.0D0\n\n PROD( MEO2 ) = RXRAT( 53 ) ! C2O3+NO=MEO2+NO2+RO2\n & + 4.0000D-01 * RXRAT( 56 ) ! PAN=0.4000D+00*MEO2+...\n & + 5.0000D-01 * RXRAT( 57 ) ! C2O3+HO2=0.5000D+00*MEO2+...\n & + RXRAT( 58 ) ! C2O3+RO2=MEO2\n & + 2.0000D+00 * RXRAT( 59 ) ! C2O3+C2O3=0.2000D+01*MEO2+...\n & + RXRAT( 60 ) ! C2O3+CXO3=MEO2+ALD2+XO2H+...\n & + 5.0000D-01 * RXRAT( 65 ) ! CXO3+HO2=0.5000D+00*MEO2+...\n & + RXRAT( 66 ) ! CXO3+RO2=MEO2\n & + 2.0000D+00 * RXRAT( 67 ) ! CXO3+CXO3=0.2000D+01*MEO2+...\n & + 8.0000D-01 * RXRAT( 77 ) ! XO2H+C2O3=0.8000D+00*MEO2+...\n & + 8.0000D-01 * RXRAT( 81 ) ! XO2+C2O3=0.8000D+00*MEO2+...\n & + 8.0000D-01 * RXRAT( 85 ) ! XO2N+C2O3=0.8000D+00*MEO2+...\n & + 6.0000D-01 * RXRAT( 87 ) ! MEPX+OH=0.6000D+00*MEO2+...\n & + RXRAT( 88 ) ! MEPX=MEO2+RO2+OH\n & + RXRAT( 94 ) ! AACD+OH=MEO2+RO2\n & + RXRAT( 108 ) ! ALD2=MEO2+RO2+CO+HO2\n & + RXRAT( 124 ) ! OH=MEO2+RO2\n & + 5.0000D-01 * RXRAT( 128 ) ! KET=0.5000D+00*MEO2+...\n & + 1.3800D+00 * RXRAT( 129 ) ! ACET=0.1380D+01*MEO2+...\n & + 8.0000D-01 * RXRAT( 153 ) ! ISO2+C2O3=0.8000D+00*MEO2+...\n & + 1.1500D-01 * RXRAT( 158 ) ! ISPD+OH=0.1150D+00*MEO2+...\n & + 3.4000D-01 * RXRAT( 161 ) ! ISPD=0.3400D+00*MEO2+...\n & + 8.0000D-01 * RXRAT( 168 ) ! EPX2+C2O3=0.8000D+00*MEO2+...\n & + RXRAT( 181 ) ! BZO2+C2O3=MEO2+OPEN+HO2+...\n & + RXRAT( 186 ) ! TO2+C2O3=MEO2+0.5200D+...\n & + RXRAT( 193 ) ! XLO2+C2O3=MEO2+0.7700D+...\n & + 5.0000D-01 * RXRAT( 215 ) ! OPO3+HO2=0.5000D+00*MEO2+...\n & + RXRAT( 216 ) ! OPO3+C2O3=MEO2+XO2+ALDX+...\n & + RXRAT( 220 ) ! ECH4+OH=MEO2+RO2\n & + RXRAT( 235 ) ! CL=MEO2+HCL+RO2\n & + RXRAT( 370 ) ! DMS+BRO=MEO2+0.2500D+...\n & + RXRAT( 418 ) ! DMS+IO=MEO2+0.2500D+00*MSA+...\n & + RXRAT( 431 ) ! CH3I=MEO2+I\n & + RXRAT( 449 ) ! DMS+OH=MEO2+SO2+FORM\n & + RXRAT( 450 ) ! DMS+OH=MEO2+0.2500D+00*MSA+...\n & + RXRAT( 451 ) ! DMS+NO3=MEO2+HNO3+SO2+FORM\n & + RXRAT( 452 ) ! DMS+CL=MEO2+0.8600D+00*SO2+...\n & + RXRAT( 453 ) ! DMS+CLO=MEO2+0.2500D+...\n LOSS( MEO2 ) = RXRAT( 71 ) ! MEO2+NO=FORM+HO2+NO2\n & + RXRAT( 72 ) ! MEO2+HO2=0.9000D+00*MEPX+...\n & + 1.0000D-01 * RXRAT( 73 ) ! MEO2+C2O3=0.9000D+00*MEO2+...\n & + RXRAT( 74 ) ! MEO2+RO2=0.6850D+00*FORM+...\n & + RXRAT( 232 ) ! MEO2+CLO=CL+FORM+HO2\n & + RXRAT( 364 ) ! MEO2+BRO=0.8000D+00*HOBR+...\n\n PROD( RO2 ) = RXRAT( 53 ) ! C2O3+NO=RO2+MEO2+NO2\n & + 4.0000D-01 * RXRAT( 56 ) ! PAN=0.4000D+00*RO2+0.6000D+...\n & + 5.0000D-01 * RXRAT( 57 ) ! C2O3+HO2=0.5000D+00*RO2+...\n & + 2.0000D+00 * RXRAT( 59 ) ! C2O3+C2O3=0.2000D+01*RO2+...\n & + 2.0000D+00 * RXRAT( 60 ) ! C2O3+CXO3=0.2000D+01*RO2+...\n & + RXRAT( 61 ) ! CXO3+NO=RO2+ALD2+XO2H+NO2\n & + 4.0000D-01 * RXRAT( 64 ) ! PANX=0.4000D+00*RO2+...\n & + 5.0000D-01 * RXRAT( 65 ) ! CXO3+HO2=0.5000D+00*RO2+...\n & + 2.0000D+00 * RXRAT( 67 ) ! CXO3+CXO3=0.2000D+01*RO2+...\n & + 9.0000D-01 * RXRAT( 73 ) ! MEO2+C2O3=0.9000D+00*RO2+...\n & + 8.0000D-01 * RXRAT( 77 ) ! XO2H+C2O3=0.8000D+00*RO2+...\n & + 8.0000D-01 * RXRAT( 81 ) ! XO2+C2O3=0.8000D+00*RO2+...\n & + 8.0000D-01 * RXRAT( 85 ) ! XO2N+C2O3=0.8000D+00*RO2+...\n & + 6.0000D-01 * RXRAT( 87 ) ! MEPX+OH=0.6000D+00*RO2+...\n & + RXRAT( 88 ) ! MEPX=RO2+MEO2+OH\n & + 6.0000D-01 * RXRAT( 89 ) ! ROOH+OH=0.6000D+00*RO2+...\n & + RXRAT( 94 ) ! AACD+OH=RO2+MEO2\n & + RXRAT( 108 ) ! ALD2=RO2+MEO2+CO+HO2\n & + RXRAT( 112 ) ! ALDX=RO2+XO2H+ALD2+CO+HO2\n & + 1.1000D-01 * RXRAT( 114 ) ! GLYD=0.1100D+00*RO2+...\n & + 2.0000D-01 * RXRAT( 116 ) ! GLY+OH=0.2000D+00*RO2+...\n & + 5.0000D-01 * RXRAT( 118 ) ! GLY+NO3=0.5000D+00*RO2+...\n & + RXRAT( 120 ) ! MGLY+NO3=RO2+C2O3+XO2+HNO3\n & + RXRAT( 124 ) ! OH=RO2+MEO2\n & + RXRAT( 125 ) ! ETHA+OH=RO2+0.9910D+...\n & + 1.0000D-01 * RXRAT( 127 ) ! ETOH+OH=0.1000D+00*RO2+...\n & + RXRAT( 128 ) ! KET=RO2+0.5000D+00*C2O3+...\n & + 1.3800D+00 * RXRAT( 129 ) ! ACET=0.1380D+01*RO2+...\n & + RXRAT( 130 ) ! ACET+OH=RO2+C2O3+XO2+FORM\n & + 9.8000D-01 * RXRAT( 133 ) ! ROR=0.9800D+00*RO2+0.4200D+...\n & + 7.0000D-01 * RXRAT( 137 ) ! ETH+O=0.7000D+00*RO2+HO2+...\n & + RXRAT( 138 ) ! ETH+OH=RO2+XO2H+0.1560D+...\n & + RXRAT( 140 ) ! ETH+NO3=RO2+0.5000D+...\n & + 2.1000D-01 * RXRAT( 141 ) ! OLE+O=0.2100D+00*RO2+...\n & + 1.1950D+00 * RXRAT( 142 ) ! OLE+OH=0.1195D+01*RO2+...\n & + 1.5000D-01 * RXRAT( 143 ) ! OLE+O3=0.1500D+00*RO2+...\n & + RXRAT( 144 ) ! OLE+NO3=RO2+0.5000D+...\n & + 1.0000D-01 * RXRAT( 145 ) ! IOLE+O=0.1000D+00*RO2+...\n & + RXRAT( 146 ) ! IOLE+OH=RO2+0.7000D+...\n & + 3.0000D-01 * RXRAT( 147 ) ! IOLE+O3=0.3000D+00*RO2+...\n & + RXRAT( 148 ) ! IOLE+NO3=RO2+0.5000D+...\n & + RXRAT( 149 ) ! ISOP+OH=RO2+ISO2+ISOPRXN\n & + 2.5000D-01 * RXRAT( 150 ) ! ISOP+O=0.2500D+00*RO2+...\n & + 8.2000D-02 * RXRAT( 151 ) ! ISO2+NO=0.8200D-01*RO2+...\n & + 8.7200D-01 * RXRAT( 153 ) ! ISO2+C2O3=0.8720D+00*RO2+...\n & + 7.2000D-02 * RXRAT( 154 ) ! ISO2+RO2=0.1072D+01*RO2+...\n & + 2.0000D-01 * RXRAT( 156 ) ! ISOP+O3=0.2000D+00*RO2+...\n & + RXRAT( 157 ) ! ISOP+NO3=RO2+0.6500D+...\n & + 6.5800D-01 * RXRAT( 158 ) ! ISPD+OH=0.6580D+00*RO2+...\n & + 2.8400D-01 * RXRAT( 160 ) ! ISPD+NO3=0.2840D+00*RO2+...\n & + 8.4000D-01 * RXRAT( 161 ) ! ISPD=0.8400D+00*RO2+...\n & + 6.7000D-02 * RXRAT( 162 ) ! ISPX+OH=0.6700D-01*RO2+...\n & + RXRAT( 165 ) ! EPOX+OH=RO2+EPX2\n & + 8.0000D-01 * RXRAT( 168 ) ! EPX2+C2O3=0.8000D+00*RO2+...\n & + RXRAT( 170 ) ! INTR+OH=RO2+0.3700D+...\n & + 1.5000D+00 * RXRAT( 172 ) ! TERP+OH=0.1500D+01*RO2+...\n & + 9.4000D-01 * RXRAT( 173 ) ! TERP+O3=0.9400D+00*RO2+...\n & + 1.2800D+00 * RXRAT( 174 ) ! TERP+NO3=0.1280D+01*RO2+...\n & + 1.5000D+00 * RXRAT( 176 ) ! APIN+OH=0.1500D+01*RO2+...\n & + 9.4000D-01 * RXRAT( 177 ) ! APIN+O3=0.9400D+00*RO2+...\n & + 1.2800D+00 * RXRAT( 178 ) ! APIN+NO3=0.1280D+01*RO2+...\n & + 3.5200D-01 * RXRAT( 179 ) ! BENZENE+OH=0.3520D+00*RO2+...\n & + RXRAT( 181 ) ! BZO2+C2O3=RO2+OPEN+HO2+...\n & + 7.2000D-01 * RXRAT( 184 ) ! TOL+OH=0.7200D+00*RO2+...\n & + RXRAT( 186 ) ! TO2+C2O3=RO2+0.5200D+...\n & + 6.0200D-01 * RXRAT( 189 ) ! XYLMN+OH=0.6020D+00*RO2+...\n & + 6.0200D-01 * RXRAT( 190 ) ! NAPH+OH=0.6020D+00*RO2+...\n & + RXRAT( 193 ) ! XLO2+C2O3=RO2+0.7700D+...\n & + 2.0000D-02 * RXRAT( 195 ) ! CRES+OH=0.2000D-01*RO2+...\n & + 7.0000D-01 * RXRAT( 196 ) ! CRES+NO3=0.7000D+00*RO2+...\n & + 2.0000D+00 * RXRAT( 203 ) ! XOPN+OH=0.2000D+01*RO2+...\n & + 3.0000D-01 * RXRAT( 204 ) ! XOPN+O3=0.3000D+00*RO2+...\n & + RXRAT( 205 ) ! XOPN+NO3=RO2+0.5000D+...\n & + 4.0000D-01 * RXRAT( 207 ) ! OPEN+OH=0.4000D+00*RO2+...\n & + 5.0000D-01 * RXRAT( 215 ) ! OPO3+HO2=0.5000D+00*RO2+...\n & + 2.0000D+00 * RXRAT( 216 ) ! OPO3+C2O3=0.2000D+01*RO2+...\n & + 8.0000D-01 * RXRAT( 217 ) ! OPO3+RO2=0.1800D+01*RO2+...\n & + RXRAT( 220 ) ! ECH4+OH=RO2+MEO2\n & + RXRAT( 221 ) ! XPRP=RO2+XO2N\n & + RXRAT( 222 ) ! XPRP=RO2+0.2680D+00*ALDX+...\n & + RXRAT( 223 ) ! XPAR=RO2+XO2N\n & + RXRAT( 224 ) ! XPAR=RO2+0.8740D+00*ROR+...\n & + RXRAT( 235 ) ! CL=RO2+MEO2+HCL\n & + RXRAT( 237 ) ! CL+PRPA=RO2+ACET+0.9700D+...\n & + RXRAT( 238 ) ! CL+ETHA=RO2+0.9910D+...\n & + RXRAT( 242 ) ! CL+ISOP=RO2+ISPD+0.9600D+...\n & + 7.2000D-01 * RXRAT( 249 ) ! CL+TOL=0.7200D+00*RO2+...\n & + 6.0200D-01 * RXRAT( 250 ) ! CL+XYLMN=0.6020D+00*RO2+...\n & + 6.0200D-01 * RXRAT( 251 ) ! CL+NAPH=0.6020D+00*RO2+...\n & + RXRAT( 361 ) ! OLE+BR=RO2+ALD2+XO2H-PAR+FMBR\n & + RXRAT( 362 ) ! ISOP+BR=RO2+ISPD+0.9600D+...\n LOSS( RO2 ) = RXRAT( 58 ) ! RO2+C2O3=MEO2\n & + RXRAT( 66 ) ! RO2+CXO3=MEO2\n & + RXRAT( 68 ) ! RO2+NO=NO\n & + RXRAT( 69 ) ! RO2+HO2=HO2\n & + 2.0000D+00 * RXRAT( 70 ) ! RO2+RO2=\n\n PROD( PACD ) = 3.7000D-01 * RXRAT( 57 ) ! C2O3+HO2=0.3700D+00*PACD+...\n & + 3.7000D-01 * RXRAT( 65 ) ! CXO3+HO2=0.3700D+00*PACD+...\n & + 3.7000D-01 * RXRAT( 215 ) ! OPO3+HO2=0.3700D+00*PACD+...\n LOSS( PACD ) = RXRAT( 95 ) ! PACD+OH=C2O3\n\n PROD( AACD ) = 1.3000D-01 * RXRAT( 57 ) ! C2O3+HO2=0.1300D+00*AACD+...\n & + 1.3000D-01 * RXRAT( 65 ) ! CXO3+HO2=0.1300D+00*AACD+...\n & + 1.0000D-01 * RXRAT( 73 ) ! MEO2+C2O3=0.1000D+00*AACD+...\n & + 2.0000D-01 * RXRAT( 77 ) ! XO2H+C2O3=0.2000D+00*AACD+...\n & + 2.0000D-01 * RXRAT( 81 ) ! XO2+C2O3=0.2000D+00*AACD+...\n & + 2.0000D-01 * RXRAT( 85 ) ! XO2N+C2O3=0.2000D+00*AACD+...\n & + 1.3000D-01 * RXRAT( 143 ) ! OLE+O3=0.1300D+00*AACD+...\n & + 8.0000D-02 * RXRAT( 147 ) ! IOLE+O3=0.8000D-01*AACD+...\n & + 2.0000D-01 * RXRAT( 153 ) ! ISO2+C2O3=0.2000D+00*AACD+...\n & + 2.0000D-01 * RXRAT( 168 ) ! EPX2+C2O3=0.2000D+00*AACD+...\n & + 1.3000D-01 * RXRAT( 215 ) ! OPO3+HO2=0.1300D+00*AACD+...\n & + 2.0000D-01 * RXRAT( 217 ) ! OPO3+RO2=0.2000D+00*AACD+...\n LOSS( AACD ) = RXRAT( 94 ) ! AACD+OH=MEO2+RO2\n\n PROD( CXO3 ) = RXRAT( 63 ) ! PANX=CXO3+NO2\n & + 6.0000D-01 * RXRAT( 64 ) ! PANX=0.6000D+00*CXO3+...\n & + RXRAT( 109 ) ! ALDX+O=CXO3+OH\n & + RXRAT( 110 ) ! ALDX+OH=CXO3\n & + RXRAT( 111 ) ! ALDX+NO3=CXO3+HNO3\n & + 5.0000D-01 * RXRAT( 128 ) ! KET=0.5000D+00*CXO3+...\n & + 2.5000D-01 * RXRAT( 150 ) ! ISOP+O=0.2500D+00*CXO3+...\n & + 2.0000D-01 * RXRAT( 156 ) ! ISOP+O3=0.2000D+00*CXO3+...\n & + 7.1700D-01 * RXRAT( 160 ) ! ISPD+NO3=0.7170D+00*CXO3+...\n & + 3.9000D-01 * RXRAT( 173 ) ! TERP+O3=0.3900D+00*CXO3+...\n & + 3.9000D-01 * RXRAT( 177 ) ! APIN+O3=0.3900D+00*CXO3+...\n & + 2.0000D-01 * RXRAT( 212 ) ! OPO3+NO=0.2000D+00*CXO3+...\n & + RXRAT( 245 ) ! CL+ALDX=CXO3+HCL\n LOSS( CXO3 ) = RXRAT( 60 ) ! CXO3+C2O3=MEO2+ALD2+XO2H+...\n & + RXRAT( 61 ) ! CXO3+NO=NO2+ALD2+XO2H+RO2\n & + RXRAT( 62 ) ! CXO3+NO2=PANX\n & + RXRAT( 65 ) ! CXO3+HO2=0.3700D+00*PACD+...\n & + RXRAT( 66 ) ! CXO3+RO2=MEO2\n & + 2.0000D+00 * RXRAT( 67 ) ! CXO3+CXO3=0.2000D+01*MEO2+...\n\n PROD( ALD2 ) = RXRAT( 60 ) ! C2O3+CXO3=ALD2+MEO2+XO2H+...\n & + RXRAT( 61 ) ! CXO3+NO=ALD2+NO2+XO2H+RO2\n & + 4.0000D-01 * RXRAT( 64 ) ! PANX=0.4000D+00*ALD2+...\n & + RXRAT( 112 ) ! ALDX=ALD2+XO2H+RO2+CO+HO2\n & + 9.9100D-01 * RXRAT( 125 ) ! ETHA+OH=0.9910D+00*ALD2+...\n & + 9.5000D-01 * RXRAT( 127 ) ! ETOH+OH=0.9500D+00*ALD2+...\n & + 5.0000D-01 * RXRAT( 128 ) ! KET=0.5000D+00*ALD2+...\n & + 7.4000D-01 * RXRAT( 133 ) ! ROR=0.7400D+00*ALD2+...\n & + 2.0000D-01 * RXRAT( 141 ) ! OLE+O=0.2000D+00*ALD2+...\n & + 4.8800D-01 * RXRAT( 142 ) ! OLE+OH=0.4880D+00*ALD2+...\n & + 2.9500D-01 * RXRAT( 143 ) ! OLE+O3=0.2950D+00*ALD2+...\n & + 2.5000D-01 * RXRAT( 144 ) ! OLE+NO3=0.2500D+00*ALD2+...\n & + 1.2400D+00 * RXRAT( 145 ) ! IOLE+O=0.1240D+01*ALD2+...\n & + 1.3000D+00 * RXRAT( 146 ) ! IOLE+OH=0.1300D+01*ALD2+...\n & + 7.3200D-01 * RXRAT( 147 ) ! IOLE+O3=0.7320D+00*ALD2+...\n & + 5.0000D-01 * RXRAT( 148 ) ! IOLE+NO3=0.5000D+00*ALD2+...\n & + 4.0000D-02 * RXRAT( 159 ) ! ISPD+O3=0.4000D-01*ALD2+...\n & + 1.0000D-01 * RXRAT( 204 ) ! XOPN+O3=0.1000D+00*ALD2+...\n & + 2.0000D-02 * RXRAT( 208 ) ! OPEN+O3=0.2000D-01*ALD2+...\n & + RXRAT( 219 ) ! PANX+OH=ALD2+NO2\n & + 9.9100D-01 * RXRAT( 238 ) ! CL+ETHA=0.9910D+00*ALD2+...\n & + 3.3000D-01 * RXRAT( 240 ) ! CL+OLE=0.3300D+00*ALD2+...\n & + 4.5000D-01 * RXRAT( 241 ) ! CL+IOLE=0.4500D+00*ALD2+...\n & + RXRAT( 247 ) ! CL+ETOH=ALD2+HO2+HCL\n & + RXRAT( 361 ) ! OLE+BR=ALD2+FMBR+XO2H-PAR+RO2\n LOSS( ALD2 ) = RXRAT( 105 ) ! ALD2+O=C2O3+OH\n & + RXRAT( 106 ) ! ALD2+OH=C2O3\n & + RXRAT( 107 ) ! ALD2+NO3=C2O3+HNO3\n & + RXRAT( 108 ) ! ALD2=MEO2+RO2+CO+HO2\n & + RXRAT( 244 ) ! ALD2+CL=HCL+C2O3\n & + RXRAT( 360 ) ! ALD2+BR=HBR+C2O3\n\n PROD( XO2H ) = RXRAT( 60 ) ! C2O3+CXO3=XO2H+ALD2+MEO2+...\n & + RXRAT( 61 ) ! CXO3+NO=XO2H+ALD2+NO2+RO2\n & + 4.0000D-01 * RXRAT( 64 ) ! PANX=0.4000D+00*XO2H+...\n & + 5.4000D-01 * RXRAT( 89 ) ! ROOH+OH=0.5400D+00*XO2H+...\n & + RXRAT( 112 ) ! ALDX=XO2H+ALD2+RO2+CO+HO2\n & + 1.1000D-01 * RXRAT( 114 ) ! GLYD=0.1100D+00*XO2H+...\n & + 9.9100D-01 * RXRAT( 125 ) ! ETHA+OH=0.9910D+00*XO2H+...\n & + 1.0000D-01 * RXRAT( 127 ) ! ETOH+OH=0.1000D+00*XO2H+...\n & + 5.0000D-01 * RXRAT( 128 ) ! KET=0.5000D+00*XO2H+...\n & + 9.4000D-01 * RXRAT( 133 ) ! ROR=0.9400D+00*XO2H+...\n & + 7.0000D-01 * RXRAT( 137 ) ! ETH+O=0.7000D+00*XO2H+HO2+...\n & + RXRAT( 138 ) ! ETH+OH=XO2H+RO2+0.1560D+...\n & + 5.0000D-01 * RXRAT( 140 ) ! ETH+NO3=0.5000D+00*XO2H+...\n & + 2.0000D-01 * RXRAT( 141 ) ! OLE+O=0.2000D+00*XO2H+...\n & + 9.7600D-01 * RXRAT( 142 ) ! OLE+OH=0.9760D+00*XO2H+...\n & + 1.5000D-01 * RXRAT( 143 ) ! OLE+O3=0.1500D+00*XO2H+...\n & + 4.8000D-01 * RXRAT( 144 ) ! OLE+NO3=0.4800D+00*XO2H+...\n & + 1.0000D-01 * RXRAT( 145 ) ! IOLE+O=0.1000D+00*XO2H+...\n & + RXRAT( 146 ) ! IOLE+OH=XO2H+0.7000D+...\n & + 3.0000D-01 * RXRAT( 147 ) ! IOLE+O3=0.3000D+00*XO2H+...\n & + 4.8000D-01 * RXRAT( 148 ) ! IOLE+NO3=0.4800D+00*XO2H+...\n & + 8.2000D-02 * RXRAT( 151 ) ! ISO2+NO=0.8200D-01*XO2H+...\n & + 7.2000D-02 * RXRAT( 153 ) ! ISO2+C2O3=0.7200D-01*XO2H+...\n & + 7.2000D-02 * RXRAT( 154 ) ! ISO2+RO2=0.7200D-01*XO2H+...\n & + 6.4000D-01 * RXRAT( 157 ) ! ISOP+NO3=0.6400D+00*XO2H+...\n & + 1.4200D-01 * RXRAT( 160 ) ! ISPD+NO3=0.1420D+00*XO2H+...\n & + 3.4000D-01 * RXRAT( 161 ) ! ISPD=0.3400D+00*XO2H+...\n & + 3.7000D-01 * RXRAT( 170 ) ! INTR+OH=0.3700D+00*XO2H+...\n & + 7.5000D-01 * RXRAT( 172 ) ! TERP+OH=0.7500D+00*XO2H+...\n & + 7.0000D-02 * RXRAT( 173 ) ! TERP+O3=0.7000D-01*XO2H+...\n & + 2.8000D-01 * RXRAT( 174 ) ! TERP+NO3=0.2800D+00*XO2H+...\n & + 7.5000D-01 * RXRAT( 176 ) ! APIN+OH=0.7500D+00*XO2H+...\n & + 7.0000D-02 * RXRAT( 177 ) ! APIN+O3=0.7000D-01*XO2H+...\n & + 2.8000D-01 * RXRAT( 178 ) ! APIN+NO3=0.2800D+00*XO2H+...\n & + 7.0000D-02 * RXRAT( 184 ) ! TOL+OH=0.7000D-01*XO2H+...\n & + 5.8000D-02 * RXRAT( 189 ) ! XYLMN+OH=0.5800D-01*XO2H+...\n & + 5.8000D-02 * RXRAT( 190 ) ! NAPH+OH=0.5800D-01*XO2H+...\n & + 1.2000D-01 * RXRAT( 196 ) ! CRES+NO3=0.1200D+00*XO2H+...\n & + RXRAT( 202 ) ! XOPN=XO2H+0.4000D+00*GLY+...\n & + 2.0000D+00 * RXRAT( 203 ) ! XOPN+OH=0.2000D+01*XO2H+...\n & + 3.0000D-01 * RXRAT( 204 ) ! XOPN+O3=0.3000D+00*XO2H+...\n & + 4.5000D-01 * RXRAT( 205 ) ! XOPN+NO3=0.4500D+00*XO2H+...\n & + 4.0000D-01 * RXRAT( 207 ) ! OPEN+OH=0.4000D+00*XO2H+...\n & + 8.0000D-01 * RXRAT( 217 ) ! OPO3+RO2=0.8000D+00*XO2H+...\n & + RXRAT( 222 ) ! XPRP=XO2H+0.2680D+00*ALDX+...\n & + 1.2600D-01 * RXRAT( 224 ) ! XPAR=0.1260D+00*XO2H+...\n & + 9.7000D-01 * RXRAT( 237 ) ! CL+PRPA=0.9700D+00*XO2H+...\n & + 9.9100D-01 * RXRAT( 238 ) ! CL+ETHA=0.9910D+00*XO2H+...\n & + 9.6000D-01 * RXRAT( 242 ) ! CL+ISOP=0.9600D+00*XO2H+...\n & + 7.0000D-02 * RXRAT( 249 ) ! CL+TOL=0.7000D-01*XO2H+...\n & + 5.8000D-02 * RXRAT( 250 ) ! CL+XYLMN=0.5800D-01*XO2H+...\n & + 5.8000D-02 * RXRAT( 251 ) ! CL+NAPH=0.5800D-01*XO2H+...\n & + RXRAT( 361 ) ! OLE+BR=XO2H+ALD2+FMBR-PAR+RO2\n & + 9.6000D-01 * RXRAT( 362 ) ! ISOP+BR=0.9600D+00*XO2H+...\n LOSS( XO2H ) = RXRAT( 75 ) ! XO2H+NO=NO2+HO2\n & + RXRAT( 76 ) ! XO2H+HO2=ROOH\n & + RXRAT( 77 ) ! XO2H+C2O3=0.8000D+00*HO2+...\n & + RXRAT( 78 ) ! XO2H+RO2=0.6000D+00*HO2+RO2\n\n PROD( PANX ) = RXRAT( 62 ) ! CXO3+NO2=PANX\n LOSS( PANX ) = RXRAT( 63 ) ! PANX=NO2+CXO3\n & + RXRAT( 64 ) ! PANX=0.6000D+00*NO2+...\n & + RXRAT( 219 ) ! PANX+OH=ALD2+NO2\n\n PROD( FORM ) = RXRAT( 71 ) ! MEO2+NO=FORM+HO2+NO2\n & + 1.0000D-01 * RXRAT( 72 ) ! MEO2+HO2=0.1000D+00*FORM+...\n & + RXRAT( 73 ) ! MEO2+C2O3=FORM+0.9000D+...\n & + 6.8500D-01 * RXRAT( 74 ) ! MEO2+RO2=0.6850D+00*FORM+...\n & + 4.0000D-01 * RXRAT( 87 ) ! MEPX+OH=0.4000D+00*FORM+...\n & + RXRAT( 102 ) ! HCO3=FORM+HO2\n & + 7.4000D-01 * RXRAT( 114 ) ! GLYD=0.7400D+00*FORM+...\n & + RXRAT( 126 ) ! MEOH+OH=FORM+HO2\n & + 7.8000D-02 * RXRAT( 127 ) ! ETOH+OH=0.7800D-01*FORM+...\n & + RXRAT( 130 ) ! ACET+OH=FORM+C2O3+XO2+RO2\n & + RXRAT( 137 ) ! ETH+O=FORM+HO2+CO+0.7000D+...\n & + 1.5600D+00 * RXRAT( 138 ) ! ETH+OH=0.1560D+01*FORM+RO2+...\n & + RXRAT( 139 ) ! ETH+O3=FORM+0.3500D+00*CO+...\n & + 1.1250D+00 * RXRAT( 140 ) ! ETH+NO3=0.1125D+01*FORM+...\n & + 2.0000D-01 * RXRAT( 141 ) ! OLE+O=0.2000D+00*FORM+...\n & + 7.8100D-01 * RXRAT( 142 ) ! OLE+OH=0.7810D+00*FORM+...\n & + 5.5500D-01 * RXRAT( 143 ) ! OLE+O3=0.5550D+00*FORM+...\n & + 5.0000D-01 * RXRAT( 144 ) ! OLE+NO3=0.5000D+00*FORM+...\n & + 1.2800D-01 * RXRAT( 147 ) ! IOLE+O3=0.1280D+00*FORM+...\n & + 5.0000D-01 * RXRAT( 150 ) ! ISOP+O=0.5000D+00*FORM+...\n & + 6.7300D-01 * RXRAT( 151 ) ! ISO2+NO=0.6730D+00*FORM+...\n & + 1.2000D-01 * RXRAT( 152 ) ! ISO2+HO2=0.1200D+00*FORM+...\n & + 5.9800D-01 * RXRAT( 153 ) ! ISO2+C2O3=0.5980D+00*FORM+...\n & + 5.9800D-01 * RXRAT( 154 ) ! ISO2+RO2=0.5980D+00*FORM+...\n & + 6.0000D-01 * RXRAT( 156 ) ! ISOP+O3=0.6000D+00*FORM+...\n & + 3.5000D-01 * RXRAT( 157 ) ! ISOP+NO3=0.3500D+00*FORM+...\n & + 2.3100D-01 * RXRAT( 159 ) ! ISPD+O3=0.2310D+00*FORM+...\n & + 2.6000D-01 * RXRAT( 161 ) ! ISPD=0.2600D+00*FORM+...\n & + 3.7500D-01 * RXRAT( 166 ) ! EPX2+HO2=0.3750D+00*FORM+...\n & + 3.7500D-01 * RXRAT( 167 ) ! EPX2+NO=0.3750D+00*FORM+...\n & + 3.0000D-01 * RXRAT( 168 ) ! EPX2+C2O3=0.3000D+00*FORM+...\n & + 3.7500D-01 * RXRAT( 169 ) ! EPX2+RO2=0.3750D+00*FORM+...\n & + 5.9200D-01 * RXRAT( 170 ) ! INTR+OH=0.5920D+00*FORM+...\n & + 2.8000D-01 * RXRAT( 172 ) ! TERP+OH=0.2800D+00*FORM+...\n & + 2.4000D-01 * RXRAT( 173 ) ! TERP+O3=0.2400D+00*FORM+...\n & + 2.8000D-01 * RXRAT( 176 ) ! APIN+OH=0.2800D+00*FORM+...\n & + 2.4000D-01 * RXRAT( 177 ) ! APIN+O3=0.2400D+00*FORM+...\n & + RXRAT( 201 ) ! CRON=FORM+HO2+HONO+OPEN\n & + 8.0000D-02 * RXRAT( 208 ) ! OPEN+O3=0.8000D-01*FORM+...\n & + 1.4000D-01 * RXRAT( 210 ) ! CAT1+OH=0.1400D+00*FORM+...\n & + RXRAT( 232 ) ! CLO+MEO2=FORM+CL+HO2\n & + RXRAT( 239 ) ! CL+ETH=FORM+0.2000D+01*XO2+...\n & + RXRAT( 246 ) ! CL+MEOH=FORM+HO2+HCL\n & + RXRAT( 364 ) ! BRO+MEO2=FORM+0.2000D+...\n & + RXRAT( 417 ) ! CH3I+OH=FORM+I\n & + RXRAT( 432 ) ! MI2=FORM+0.2000D+01*I\n & + RXRAT( 433 ) ! MIB=FORM+BR+I\n & + RXRAT( 434 ) ! MIC=FORM+CL+I\n & + RXRAT( 449 ) ! DMS+OH=FORM+MEO2+SO2\n & + RXRAT( 451 ) ! DMS+NO3=FORM+HNO3+MEO2+SO2\n & + 4.5000D-01 * RXRAT( 452 ) ! DMS+CL=0.4500D+00*FORM+...\n LOSS( FORM ) = RXRAT( 96 ) ! FORM+OH=HO2+CO\n & + RXRAT( 97 ) ! FORM=0.2000D+01*HO2+CO\n & + RXRAT( 98 ) ! FORM=CO\n & + RXRAT( 99 ) ! FORM+O=OH+HO2+CO\n & + RXRAT( 100 ) ! FORM+NO3=HNO3+HO2+CO\n & + RXRAT( 101 ) ! FORM+HO2=HCO3\n & + RXRAT( 243 ) ! FORM+CL=HCL+HO2+CO\n & + RXRAT( 359 ) ! FORM+BR=HBR+HO2+CO\n\n PROD( MEPX ) = 9.0000D-01 * RXRAT( 72 ) ! MEO2+HO2=0.9000D+00*MEPX+...\n & + 5.0000D-01 * RXRAT( 104 ) ! HCO3+HO2=0.5000D+00*MEPX+...\n LOSS( MEPX ) = RXRAT( 87 ) ! MEPX+OH=0.6000D+00*MEO2+...\n & + RXRAT( 88 ) ! MEPX=MEO2+RO2+OH\n\n PROD( MEOH ) = 3.1500D-01 * RXRAT( 74 ) ! MEO2+RO2=0.3150D+00*MEOH+...\n & + 1.5000D-01 * RXRAT( 114 ) ! GLYD=0.1500D+00*MEOH+...\n LOSS( MEOH ) = RXRAT( 126 ) ! MEOH+OH=FORM+HO2\n & + RXRAT( 246 ) ! MEOH+CL=HCL+HO2+FORM\n\n PROD( ROOH ) = RXRAT( 76 ) ! XO2H+HO2=ROOH\n & + RXRAT( 80 ) ! XO2+HO2=ROOH\n & + RXRAT( 84 ) ! XO2N+HO2=ROOH\n LOSS( ROOH ) = RXRAT( 89 ) ! ROOH+OH=0.5400D+00*XO2H+...\n & + RXRAT( 90 ) ! ROOH=HO2+OH\n\n PROD( XO2 ) = 2.0000D-01 * RXRAT( 116 ) ! GLY+OH=0.2000D+00*XO2+...\n & + 5.0000D-01 * RXRAT( 118 ) ! GLY+NO3=0.5000D+00*XO2+...\n & + RXRAT( 120 ) ! MGLY+NO3=XO2+C2O3+HNO3+RO2\n & + RXRAT( 130 ) ! ACET+OH=XO2+C2O3+FORM+RO2\n & + 5.0000D-01 * RXRAT( 140 ) ! ETH+NO3=0.5000D+00*XO2+...\n & + 1.9500D-01 * RXRAT( 142 ) ! OLE+OH=0.1950D+00*XO2+...\n & + 4.8000D-01 * RXRAT( 144 ) ! OLE+NO3=0.4800D+00*XO2+...\n & + 4.8000D-01 * RXRAT( 148 ) ! IOLE+NO3=0.4800D+00*XO2+...\n & + 2.5000D-01 * RXRAT( 150 ) ! ISOP+O=0.2500D+00*XO2+...\n & + 2.0000D-01 * RXRAT( 156 ) ! ISOP+O3=0.2000D+00*XO2+...\n & + 3.3000D-01 * RXRAT( 157 ) ! ISOP+NO3=0.3300D+00*XO2+...\n & + 5.2100D-01 * RXRAT( 158 ) ! ISPD+OH=0.5210D+00*XO2+...\n & + 1.4200D-01 * RXRAT( 160 ) ! ISPD+NO3=0.1420D+00*XO2+...\n & + 1.6000D-01 * RXRAT( 161 ) ! ISPD=0.1600D+00*XO2+...\n & + 6.3000D-01 * RXRAT( 170 ) ! INTR+OH=0.6300D+00*XO2+...\n & + 5.0000D-01 * RXRAT( 172 ) ! TERP+OH=0.5000D+00*XO2+...\n & + 6.9000D-01 * RXRAT( 173 ) ! TERP+O3=0.6900D+00*XO2+...\n & + 7.5000D-01 * RXRAT( 174 ) ! TERP+NO3=0.7500D+00*XO2+...\n & + 5.0000D-01 * RXRAT( 176 ) ! APIN+OH=0.5000D+00*XO2+...\n & + 6.9000D-01 * RXRAT( 177 ) ! APIN+O3=0.6900D+00*XO2+...\n & + 7.5000D-01 * RXRAT( 178 ) ! APIN+NO3=0.7500D+00*XO2+...\n & + 4.8000D-01 * RXRAT( 196 ) ! CRES+NO3=0.4800D+00*XO2+...\n & + 4.5000D-01 * RXRAT( 205 ) ! XOPN+NO3=0.4500D+00*XO2+...\n & + RXRAT( 216 ) ! OPO3+C2O3=XO2+MEO2+ALDX+...\n & + 8.7400D-01 * RXRAT( 224 ) ! XPAR=0.8740D+00*XO2+...\n & + 2.0000D+00 * RXRAT( 239 ) ! CL+ETH=0.2000D+01*XO2+FMCL+...\n & + 2.0000D+00 * RXRAT( 240 ) ! CL+OLE=0.2000D+01*XO2+...\n & + 1.7000D+00 * RXRAT( 241 ) ! CL+IOLE=0.1700D+01*XO2+...\n LOSS( XO2 ) = RXRAT( 79 ) ! XO2+NO=NO2\n & + RXRAT( 80 ) ! XO2+HO2=ROOH\n & + RXRAT( 81 ) ! XO2+C2O3=0.8000D+00*MEO2+...\n & + RXRAT( 82 ) ! XO2+RO2=RO2\n\n PROD( XO2N ) = 6.0000D-02 * RXRAT( 89 ) ! ROOH+OH=0.6000D-01*XO2N+...\n & + 9.0000D-03 * RXRAT( 125 ) ! ETHA+OH=0.9000D-02*XO2N+...\n & + 4.0000D-02 * RXRAT( 133 ) ! ROR=0.4000D-01*XO2N+...\n & + 1.0000D-02 * RXRAT( 141 ) ! OLE+O=0.1000D-01*XO2N+...\n & + 2.4000D-02 * RXRAT( 142 ) ! OLE+OH=0.2400D-01*XO2N+...\n & + 4.0000D-02 * RXRAT( 144 ) ! OLE+NO3=0.4000D-01*XO2N+...\n & + 4.0000D-02 * RXRAT( 148 ) ! IOLE+NO3=0.4000D-01*XO2N+...\n & + 3.0000D-02 * RXRAT( 157 ) ! ISOP+NO3=0.3000D-01*XO2N+...\n & + 2.2000D-02 * RXRAT( 158 ) ! ISPD+OH=0.2200D-01*XO2N+...\n & + 2.5000D-01 * RXRAT( 172 ) ! TERP+OH=0.2500D+00*XO2N+...\n & + 1.8000D-01 * RXRAT( 173 ) ! TERP+O3=0.1800D+00*XO2N+...\n & + 2.5000D-01 * RXRAT( 174 ) ! TERP+NO3=0.2500D+00*XO2N+...\n & + 2.5000D-01 * RXRAT( 176 ) ! APIN+OH=0.2500D+00*XO2N+...\n & + 1.8000D-01 * RXRAT( 177 ) ! APIN+O3=0.1800D+00*XO2N+...\n & + 2.5000D-01 * RXRAT( 178 ) ! APIN+NO3=0.2500D+00*XO2N+...\n & + 2.0000D-02 * RXRAT( 195 ) ! CRES+OH=0.2000D-01*XO2N+...\n & + 1.0000D-01 * RXRAT( 196 ) ! CRES+NO3=0.1000D+00*XO2N+...\n & + 1.0000D-01 * RXRAT( 205 ) ! XOPN+NO3=0.1000D+00*XO2N+...\n & + RXRAT( 221 ) ! XPRP=XO2N+RO2\n & + RXRAT( 223 ) ! XPAR=XO2N+RO2\n & + 3.0000D-02 * RXRAT( 237 ) ! CL+PRPA=0.3000D-01*XO2N+...\n & + 9.0000D-03 * RXRAT( 238 ) ! CL+ETHA=0.9000D-02*XO2N+...\n & + 4.0000D-02 * RXRAT( 242 ) ! CL+ISOP=0.4000D-01*XO2N+...\n & + 4.0000D-02 * RXRAT( 362 ) ! ISOP+BR=0.4000D-01*XO2N+...\n LOSS( XO2N ) = RXRAT( 83 ) ! XO2N+NO=0.5000D+00*NTR1+...\n & + RXRAT( 84 ) ! XO2N+HO2=ROOH\n & + RXRAT( 85 ) ! XO2N+C2O3=0.8000D+00*HO2+...\n & + RXRAT( 86 ) ! XO2N+RO2=RO2\n\n PROD( NTR1 ) = 5.0000D-01 * RXRAT( 83 ) ! XO2N+NO=0.5000D+00*NTR1+...\n & + RXRAT( 135 ) ! ROR+NO2=NTR1\n & + 5.0000D-01 * RXRAT( 140 ) ! ETH+NO3=0.5000D+00*NTR1+...\n & + 5.0000D-01 * RXRAT( 144 ) ! OLE+NO3=0.5000D+00*NTR1+...\n & + 5.0000D-01 * RXRAT( 148 ) ! IOLE+NO3=0.5000D+00*NTR1+...\n LOSS( NTR1 ) = RXRAT( 91 ) ! NTR1+OH=NTR2\n & + RXRAT( 92 ) ! NTR1=NO2\n\n PROD( NTR2 ) = 5.0000D-01 * RXRAT( 83 ) ! XO2N+NO=0.5000D+00*NTR2+...\n & + RXRAT( 91 ) ! NTR1+OH=NTR2\n & + 6.5000D-01 * RXRAT( 157 ) ! ISOP+NO3=0.6500D+00*NTR2+...\n & + 1.4200D-01 * RXRAT( 160 ) ! ISPD+NO3=0.1420D+00*NTR2+...\n & + 2.6600D-01 * RXRAT( 170 ) ! INTR+OH=0.2660D+00*NTR2+...\n & + 5.3000D-01 * RXRAT( 174 ) ! TERP+NO3=0.5300D+00*NTR2+...\n & + 5.3000D-01 * RXRAT( 178 ) ! APIN+NO3=0.5300D+00*NTR2+...\n & + 8.2000D-02 * RXRAT( 180 ) ! BZO2+NO=0.8200D-01*NTR2+...\n & + 1.4000D-01 * RXRAT( 185 ) ! TO2+NO=0.1400D+00*NTR2+...\n & + 1.4000D-01 * RXRAT( 191 ) ! XLO2+NO=0.1400D+00*NTR2+...\n & + RXRAT( 199 ) ! CRON+OH=NTR2+0.5000D+00*CRO\n & + RXRAT( 200 ) ! CRON+NO3=NTR2+0.5000D+...\n & + 5.0000D-01 * RXRAT( 205 ) ! XOPN+NO3=0.5000D+00*NTR2+...\n & + 5.0000D-01 * RXRAT( 218 ) ! OPAN+OH=0.5000D+00*NTR2+...\n LOSS( NTR2 ) = RXRAT( 270 ) ! NTR2=HNO3\n\n PROD( FACD ) = RXRAT( 103 ) ! HCO3+NO=FACD+NO2+HO2\n & + 5.0000D-01 * RXRAT( 104 ) ! HCO3+HO2=0.5000D+00*FACD+...\n & + 3.0000D-01 * RXRAT( 136 ) ! ETHY+OH=0.3000D+00*FACD+...\n & + 4.2000D-01 * RXRAT( 139 ) ! ETH+O3=0.4200D+00*FACD+...\n & + 9.0000D-02 * RXRAT( 143 ) ! OLE+O3=0.9000D-01*FACD+...\n & + 1.5000D-01 * RXRAT( 159 ) ! ISPD+O3=0.1500D+00*FACD+...\n & + 7.4000D-02 * RXRAT( 166 ) ! EPX2+HO2=0.7400D-01*FACD+...\n & + 1.8500D-01 * RXRAT( 170 ) ! INTR+OH=0.1850D+00*FACD+...\n LOSS( FACD ) = RXRAT( 93 ) ! FACD+OH=HO2\n\n PROD( CO ) = RXRAT( 96 ) ! FORM+OH=CO+HO2\n & + RXRAT( 97 ) ! FORM=CO+0.2000D+01*HO2\n & + RXRAT( 98 ) ! FORM=CO\n & + RXRAT( 99 ) ! FORM+O=CO+HO2+OH\n & + RXRAT( 100 ) ! FORM+NO3=CO+HO2+HNO3\n & + RXRAT( 108 ) ! ALD2=CO+RO2+MEO2+HO2\n & + RXRAT( 112 ) ! ALDX=CO+XO2H+RO2+ALD2+HO2\n & + 8.9000D-01 * RXRAT( 114 ) ! GLYD=0.8900D+00*CO+0.7400D+...\n & + 1.8000D+00 * RXRAT( 116 ) ! GLY+OH=0.1800D+01*CO+...\n & + 2.0000D+00 * RXRAT( 117 ) ! GLY=0.2000D+01*CO+0.2000D+...\n & + 1.5000D+00 * RXRAT( 118 ) ! GLY+NO3=0.1500D+01*CO+HNO3+...\n & + RXRAT( 119 ) ! MGLY=CO+HO2+C2O3\n & + RXRAT( 121 ) ! MGLY+OH=CO+C2O3\n & + 3.8000D-01 * RXRAT( 129 ) ! ACET=0.3800D+00*CO+0.1380D+...\n & + 3.0000D-01 * RXRAT( 136 ) ! ETHY+OH=0.3000D+00*CO+...\n & + RXRAT( 137 ) ! ETH+O=CO+HO2+FORM+0.7000D+...\n & + 3.5000D-01 * RXRAT( 139 ) ! ETH+O3=0.3500D+00*CO+FORM+...\n & + 2.0000D-01 * RXRAT( 141 ) ! OLE+O=0.2000D+00*CO+...\n & + 3.7800D-01 * RXRAT( 143 ) ! OLE+O3=0.3780D+00*CO+...\n & + 1.0000D-01 * RXRAT( 145 ) ! IOLE+O=0.1000D+00*CO+...\n & + 2.4500D-01 * RXRAT( 147 ) ! IOLE+O3=0.2450D+00*CO+...\n & + 6.6000D-02 * RXRAT( 156 ) ! ISOP+O3=0.6600D-01*CO+...\n & + 1.3700D-01 * RXRAT( 158 ) ! ISPD+OH=0.1370D+00*CO+...\n & + 5.4300D-01 * RXRAT( 159 ) ! ISPD+O3=0.5430D+00*CO+...\n & + 2.5100D-01 * RXRAT( 166 ) ! EPX2+HO2=0.2510D+00*CO+...\n & + 2.5100D-01 * RXRAT( 167 ) ! EPX2+NO=0.2510D+00*CO+...\n & + 2.0000D-01 * RXRAT( 168 ) ! EPX2+C2O3=0.2000D+00*CO+...\n & + 2.5100D-01 * RXRAT( 169 ) ! EPX2+RO2=0.2510D+00*CO+...\n & + 1.0000D-03 * RXRAT( 173 ) ! TERP+O3=0.1000D-02*CO+...\n & + 1.0000D-03 * RXRAT( 177 ) ! APIN+O3=0.1000D-02*CO+...\n & + 7.0000D-01 * RXRAT( 202 ) ! XOPN=0.7000D+00*CO+XO2H+...\n & + 5.0000D-01 * RXRAT( 204 ) ! XOPN+O3=0.5000D+00*CO+...\n & + RXRAT( 206 ) ! OPEN=CO+HO2+OPO3\n & + 1.9800D+00 * RXRAT( 208 ) ! OPEN+O3=0.1980D+01*CO+...\n & + 5.0000D-01 * RXRAT( 212 ) ! OPO3+NO=0.5000D+00*CO+...\n & + RXRAT( 218 ) ! OPAN+OH=CO+0.5000D+00*GLY+...\n & + RXRAT( 233 ) ! OH+FMCL=CO+CL\n & + RXRAT( 234 ) ! FMCL=CO+CL+HO2\n & + RXRAT( 243 ) ! CL+FORM=CO+HO2+HCL\n & + RXRAT( 359 ) ! FORM+BR=CO+HO2+HBR\n & + RXRAT( 363 ) ! FMBR+OH=CO+BR\n & + RXRAT( 365 ) ! MB3+OH=CO+0.3000D+01*BR\n & + RXRAT( 366 ) ! MB2+OH=CO+HO2+0.2000D+01*BR\n & + RXRAT( 367 ) ! MB2C+OH=CO+CL+0.2000D+01*BR\n & + RXRAT( 368 ) ! MBC2+OH=CO+0.2000D+01*CL+BR\n & + RXRAT( 369 ) ! MBC+OH=CO+CL+BR+HO2\n & + RXRAT( 378 ) ! FMBR=CO+BR+HO2\n & + RXRAT( 379 ) ! MB3=CO+HO2+0.3000D+01*BR\n & + RXRAT( 380 ) ! MB2C=CO+CL+HO2+0.2000D+01*BR\n & + RXRAT( 381 ) ! MBC2=CO+0.2000D+01*CL+HO2+BR\n LOSS( CO ) = RXRAT( 123 ) ! CO+OH=HO2\n\n PROD( HCO3 ) = RXRAT( 101 ) ! FORM+HO2=HCO3\n LOSS( HCO3 ) = RXRAT( 102 ) ! HCO3=FORM+HO2\n & + RXRAT( 103 ) ! HCO3+NO=FACD+NO2+HO2\n & + RXRAT( 104 ) ! HCO3+HO2=0.5000D+00*MEPX+...\n\n PROD( ALDX ) = 3.7000D-01 * RXRAT( 133 ) ! ROR=0.3700D+00*ALDX+...\n & + 3.0000D-01 * RXRAT( 141 ) ! OLE+O=0.3000D+00*ALDX+...\n & + 4.8800D-01 * RXRAT( 142 ) ! OLE+OH=0.4880D+00*ALDX+...\n & + 2.7000D-01 * RXRAT( 143 ) ! OLE+O3=0.2700D+00*ALDX+...\n & + 3.7500D-01 * RXRAT( 144 ) ! OLE+NO3=0.3750D+00*ALDX+...\n & + 6.6000D-01 * RXRAT( 145 ) ! IOLE+O=0.6600D+00*ALDX+...\n & + 7.0000D-01 * RXRAT( 146 ) ! IOLE+OH=0.7000D+00*ALDX+...\n & + 4.4200D-01 * RXRAT( 147 ) ! IOLE+O3=0.4420D+00*ALDX+...\n & + 6.2500D-01 * RXRAT( 148 ) ! IOLE+NO3=0.6250D+00*ALDX+...\n & + 1.5000D-01 * RXRAT( 156 ) ! ISOP+O3=0.1500D+00*ALDX+...\n & + 2.9000D-02 * RXRAT( 162 ) ! ISPX+OH=0.2900D-01*ALDX+...\n & + 7.8000D-02 * RXRAT( 170 ) ! INTR+OH=0.7800D-01*ALDX+...\n & + 1.5000D-01 * RXRAT( 171 ) ! TERP+O=0.1500D+00*ALDX+...\n & + 4.7000D-01 * RXRAT( 172 ) ! TERP+OH=0.4700D+00*ALDX+...\n & + 2.1000D-01 * RXRAT( 173 ) ! TERP+O3=0.2100D+00*ALDX+...\n & + 4.7000D-01 * RXRAT( 174 ) ! TERP+NO3=0.4700D+00*ALDX+...\n & + 1.5000D-01 * RXRAT( 175 ) ! APIN+O=0.1500D+00*ALDX+...\n & + 4.7000D-01 * RXRAT( 176 ) ! APIN+OH=0.4700D+00*ALDX+...\n & + 2.1000D-01 * RXRAT( 177 ) ! APIN+O3=0.2100D+00*ALDX+...\n & + 4.7000D-01 * RXRAT( 178 ) ! APIN+NO3=0.4700D+00*ALDX+...\n & + RXRAT( 216 ) ! OPO3+C2O3=ALDX+XO2+MEO2+...\n & + 8.0000D-01 * RXRAT( 217 ) ! OPO3+RO2=0.8000D+00*ALDX+...\n & + 2.6800D-01 * RXRAT( 222 ) ! XPRP=0.2680D+00*ALDX+...\n & + 1.2600D-01 * RXRAT( 224 ) ! XPAR=0.1260D+00*ALDX+...\n & + 6.7000D-01 * RXRAT( 240 ) ! CL+OLE=0.6700D+00*ALDX+...\n & + 5.5000D-01 * RXRAT( 241 ) ! CL+IOLE=0.5500D+00*ALDX+...\n LOSS( ALDX ) = RXRAT( 109 ) ! ALDX+O=CXO3+OH\n & + RXRAT( 110 ) ! ALDX+OH=CXO3\n & + RXRAT( 111 ) ! ALDX+NO3=CXO3+HNO3\n & + RXRAT( 112 ) ! ALDX=ALD2+XO2H+RO2+CO+HO2\n & + RXRAT( 245 ) ! ALDX+CL=HCL+CXO3\n\n PROD( GLYD ) = 1.1000D-02 * RXRAT( 127 ) ! ETOH+OH=0.1100D-01*GLYD+...\n & + 2.2000D-01 * RXRAT( 138 ) ! ETH+OH=0.2200D+00*GLYD+RO2+...\n & + 2.6900D-01 * RXRAT( 158 ) ! ISPD+OH=0.2690D+00*GLYD+...\n & + 1.1300D-01 * RXRAT( 160 ) ! ISPD+NO3=0.1130D+00*GLYD+...\n & + 1.2800D-01 * RXRAT( 161 ) ! ISPD=0.1280D+00*GLYD+...\n & + 2.7500D-01 * RXRAT( 166 ) ! EPX2+HO2=0.2750D+00*GLYD+...\n & + 2.7500D-01 * RXRAT( 167 ) ! EPX2+NO=0.2750D+00*GLYD+...\n & + 2.2000D-01 * RXRAT( 168 ) ! EPX2+C2O3=0.2200D+00*GLYD+...\n & + 2.7500D-01 * RXRAT( 169 ) ! EPX2+RO2=0.2750D+00*GLYD+...\n & + 3.3100D-01 * RXRAT( 170 ) ! INTR+OH=0.3310D+00*GLYD+...\n LOSS( GLYD ) = RXRAT( 113 ) ! GLYD+OH=0.2000D+00*GLY+...\n & + RXRAT( 114 ) ! GLYD=0.7400D+00*FORM+...\n & + RXRAT( 115 ) ! GLYD+NO3=HNO3+C2O3\n\n PROD( GLY ) = 2.0000D-01 * RXRAT( 113 ) ! GLYD+OH=0.2000D+00*GLY+...\n & + 1.1000D-01 * RXRAT( 114 ) ! GLYD=0.1100D+00*GLY+...\n & + 7.0000D-01 * RXRAT( 136 ) ! ETHY+OH=0.7000D+00*GLY+...\n & + 7.5000D-02 * RXRAT( 143 ) ! OLE+O3=0.7500D-01*GLY+...\n & + 2.4000D-01 * RXRAT( 147 ) ! IOLE+O3=0.2400D+00*GLY+...\n & + 1.7000D-01 * RXRAT( 159 ) ! ISPD+O3=0.1700D+00*GLY+...\n & + 2.7500D-01 * RXRAT( 166 ) ! EPX2+HO2=0.2750D+00*GLY+...\n & + 2.7500D-01 * RXRAT( 167 ) ! EPX2+NO=0.2750D+00*GLY+...\n & + 2.2000D-01 * RXRAT( 168 ) ! EPX2+C2O3=0.2200D+00*GLY+...\n & + 2.7500D-01 * RXRAT( 169 ) ! EPX2+RO2=0.2750D+00*GLY+...\n & + 9.1800D-01 * RXRAT( 180 ) ! BZO2+NO=0.9180D+00*GLY+...\n & + RXRAT( 181 ) ! BZO2+C2O3=GLY+OPEN+HO2+...\n & + RXRAT( 183 ) ! BZO2+RO2=GLY+OPEN+HO2+RO2\n & + 4.1700D-01 * RXRAT( 185 ) ! TO2+NO=0.4170D+00*GLY+...\n & + 4.8000D-01 * RXRAT( 186 ) ! TO2+C2O3=0.4800D+00*GLY+...\n & + 4.8000D-01 * RXRAT( 188 ) ! TO2+RO2=0.4800D+00*GLY+...\n & + 2.2100D-01 * RXRAT( 191 ) ! XLO2+NO=0.2210D+00*GLY+...\n & + 2.6000D-01 * RXRAT( 193 ) ! XLO2+C2O3=0.2600D+00*GLY+...\n & + 2.6000D-01 * RXRAT( 194 ) ! XLO2+RO2=0.2600D+00*GLY+...\n & + 2.5000D-02 * RXRAT( 195 ) ! CRES+OH=0.2500D-01*GLY+...\n & + 2.4000D-01 * RXRAT( 196 ) ! CRES+NO3=0.2400D+00*GLY+...\n & + 4.0000D-01 * RXRAT( 202 ) ! XOPN=0.4000D+00*GLY+XO2H+...\n & + 4.0000D-01 * RXRAT( 203 ) ! XOPN+OH=0.4000D+00*GLY+...\n & + 4.0000D-01 * RXRAT( 207 ) ! OPEN+OH=0.4000D+00*GLY+...\n & + 1.4000D+00 * RXRAT( 208 ) ! OPEN+O3=0.1400D+01*GLY+...\n & + 5.0000D-01 * RXRAT( 212 ) ! OPO3+NO=0.5000D+00*GLY+NO2+...\n & + 5.0000D-01 * RXRAT( 218 ) ! OPAN+OH=0.5000D+00*GLY+...\n LOSS( GLY ) = RXRAT( 116 ) ! GLY+OH=0.1800D+01*CO+...\n & + RXRAT( 117 ) ! GLY=0.2000D+01*HO2+0.2000D+...\n & + RXRAT( 118 ) ! GLY+NO3=HNO3+0.1500D+01*CO+...\n & + RXRAT( 282 ) ! GLY=AGLYJ\n\n PROD( MGLY ) = 7.5000D-02 * RXRAT( 143 ) ! OLE+O3=0.7500D-01*MGLY+...\n & + 6.0000D-02 * RXRAT( 147 ) ! IOLE+O3=0.6000D-01*MGLY+...\n & + 1.1500D-01 * RXRAT( 158 ) ! ISPD+OH=0.1150D+00*MGLY+...\n & + 5.3100D-01 * RXRAT( 159 ) ! ISPD+O3=0.5310D+00*MGLY+...\n & + 1.1300D-01 * RXRAT( 160 ) ! ISPD+NO3=0.1130D+00*MGLY+...\n & + 2.7500D-01 * RXRAT( 166 ) ! EPX2+HO2=0.2750D+00*MGLY+...\n & + 2.7500D-01 * RXRAT( 167 ) ! EPX2+NO=0.2750D+00*MGLY+...\n & + 2.2000D-01 * RXRAT( 168 ) ! EPX2+C2O3=0.2200D+00*MGLY+...\n & + 2.7500D-01 * RXRAT( 169 ) ! EPX2+RO2=0.2750D+00*MGLY+...\n & + 4.4300D-01 * RXRAT( 185 ) ! TO2+NO=0.4430D+00*MGLY+...\n & + 5.2000D-01 * RXRAT( 186 ) ! TO2+C2O3=0.5200D+00*MGLY+...\n & + 5.2000D-01 * RXRAT( 188 ) ! TO2+RO2=0.5200D+00*MGLY+...\n & + 6.7500D-01 * RXRAT( 191 ) ! XLO2+NO=0.6750D+00*MGLY+...\n & + 7.7000D-01 * RXRAT( 193 ) ! XLO2+C2O3=0.7700D+00*MGLY+...\n & + 7.7000D-01 * RXRAT( 194 ) ! XLO2+RO2=0.7700D+00*MGLY+...\n & + 2.4000D-01 * RXRAT( 196 ) ! CRES+NO3=0.2400D+00*MGLY+...\n & + RXRAT( 203 ) ! XOPN+OH=MGLY+0.4000D+...\n & + 1.2000D+00 * RXRAT( 204 ) ! XOPN+O3=0.1200D+01*MGLY+...\n & + 2.5000D-01 * RXRAT( 205 ) ! XOPN+NO3=0.2500D+00*MGLY+...\n & + 2.4000D-01 * RXRAT( 208 ) ! OPEN+O3=0.2400D+00*MGLY+...\n LOSS( MGLY ) = RXRAT( 119 ) ! MGLY=C2O3+HO2+CO\n & + RXRAT( 120 ) ! MGLY+NO3=HNO3+C2O3+XO2+RO2\n & + RXRAT( 121 ) ! MGLY+OH=C2O3+CO\n & + RXRAT( 283 ) ! MGLY=AGLYJ\n\n PROD( ETHA ) = 0.0D0\n LOSS( ETHA ) = RXRAT( 125 ) ! ETHA+OH=0.9910D+00*ALD2+...\n & + RXRAT( 238 ) ! ETHA+CL=HCL+0.9910D+...\n\n PROD( ETOH ) = 0.0D0\n LOSS( ETOH ) = RXRAT( 127 ) ! ETOH+OH=0.9500D+00*ALD2+...\n & + RXRAT( 247 ) ! ETOH+CL=HCL+HO2+ALD2\n\n PROD( KET ) = 2.0000D-01 * RXRAT( 133 ) ! ROR=0.2000D+00*KET+0.4200D+...\n & + RXRAT( 134 ) ! ROR=KET+HO2\n LOSS( KET ) = RXRAT( 128 ) ! KET=0.5000D+00*ALD2+...\n\n PROD( PAR ) = 2.0000D-01 * RXRAT( 141 ) ! OLE+O=0.2000D+00*PAR+...\n & + 1.0000D-01 * RXRAT( 145 ) ! IOLE+O=0.1000D+00*PAR+...\n & + 2.9000D-01 * RXRAT( 147 ) ! IOLE+O3=0.2900D+00*PAR+...\n & + RXRAT( 148 ) ! IOLE+NO3=PAR+0.5000D+...\n & + 2.5000D-01 * RXRAT( 150 ) ! ISOP+O=0.2500D+00*PAR+...\n & + 3.5000D-01 * RXRAT( 156 ) ! ISOP+O3=0.3500D+00*PAR+...\n & + 1.1700D-01 * RXRAT( 158 ) ! ISPD+OH=0.1170D+00*PAR+...\n & + 7.1700D-01 * RXRAT( 160 ) ! ISPD+NO3=0.7170D+00*PAR+...\n & + 2.4000D-01 * RXRAT( 161 ) ! ISPD=0.2400D+00*PAR+...\n & + 2.1750D+00 * RXRAT( 166 ) ! EPX2+HO2=0.2175D+01*PAR+...\n & + 2.1750D+00 * RXRAT( 167 ) ! EPX2+NO=0.2175D+01*PAR+...\n & + 1.7400D+00 * RXRAT( 168 ) ! EPX2+C2O3=0.1740D+01*PAR+...\n & + 2.1750D+00 * RXRAT( 169 ) ! EPX2+RO2=0.2175D+01*PAR+...\n & + 2.7000D+00 * RXRAT( 170 ) ! INTR+OH=0.2700D+01*PAR+...\n & + 5.1200D+00 * RXRAT( 171 ) ! TERP+O=0.5120D+01*PAR+...\n & + 1.6600D+00 * RXRAT( 172 ) ! TERP+OH=0.1660D+01*PAR+...\n & + 7.0000D+00 * RXRAT( 173 ) ! TERP+O3=0.7000D+01*PAR+...\n & + 5.1200D+00 * RXRAT( 175 ) ! APIN+O=0.5120D+01*PAR+...\n & + 1.6600D+00 * RXRAT( 176 ) ! APIN+OH=0.1660D+01*PAR+...\n & + 7.0000D+00 * RXRAT( 177 ) ! APIN+O3=0.7000D+01*PAR+...\n & + 2.6800D-01 * RXRAT( 222 ) ! XPRP=0.2680D+00*PAR+...\n & + 3.0000D-01 * RXRAT( 241 ) ! CL+IOLE=0.3000D+00*PAR+...\n LOSS( PAR ) = 2.5000D+00 * RXRAT( 128 ) ! KET=-0.2500D+01*PAR+...\n & + RXRAT( 132 ) ! PAR+OH=XPAR\n & + 2.7000D+00 * RXRAT( 133 ) ! ROR=-0.2700D+01*PAR+...\n & + 7.3000D-01 * RXRAT( 142 ) ! OLE+OH=-0.7300D+00*PAR+...\n & + 7.9000D-01 * RXRAT( 143 ) ! OLE+O3=-0.7900D+00*PAR+...\n & + RXRAT( 144 ) ! OLE+NO3=-PAR+0.5000D+...\n & + 1.2600D-01 * RXRAT( 224 ) ! XPAR=-0.1260D+00*PAR+...\n & + RXRAT( 236 ) ! PAR+CL=HCL+XPAR\n & + RXRAT( 240 ) ! CL+OLE=-PAR+0.3300D+...\n & + RXRAT( 361 ) ! OLE+BR=-PAR+ALD2+XO2H+FMBR+RO2\n\n PROD( ACET ) = 4.2000D-01 * RXRAT( 133 ) ! ROR=0.4200D+00*ACET+...\n & + 1.3700D-01 * RXRAT( 158 ) ! ISPD+OH=0.1370D+00*ACET+...\n & + 1.7000D-01 * RXRAT( 159 ) ! ISPD+O3=0.1700D+00*ACET+...\n & + 1.7000D-01 * RXRAT( 161 ) ! ISPD=0.1700D+00*ACET+...\n & + 7.3200D-01 * RXRAT( 222 ) ! XPRP=0.7320D+00*ACET+...\n & + RXRAT( 237 ) ! CL+PRPA=ACET+HCL+0.9700D+...\n LOSS( ACET ) = RXRAT( 129 ) ! ACET=0.3800D+00*CO+0.1380D+...\n & + RXRAT( 130 ) ! ACET+OH=FORM+C2O3+XO2+RO2\n\n PROD( PRPA ) = 0.0D0\n LOSS( PRPA ) = RXRAT( 131 ) ! PRPA+OH=XPRP\n & + RXRAT( 237 ) ! PRPA+CL=HCL+ACET+0.9700D+...\n\n PROD( XPRP ) = RXRAT( 131 ) ! PRPA+OH=XPRP\n LOSS( XPRP ) = RXRAT( 221 ) ! XPRP=XO2N+RO2\n & + RXRAT( 222 ) ! XPRP=0.7320D+00*ACET+...\n\n PROD( XPAR ) = RXRAT( 132 ) ! PAR+OH=XPAR\n & + RXRAT( 236 ) ! CL+PAR=XPAR+HCL\n LOSS( XPAR ) = RXRAT( 223 ) ! XPAR=XO2N+RO2\n & + RXRAT( 224 ) ! XPAR=0.1260D+00*ALDX+...\n\n PROD( ROR ) = 8.7400D-01 * RXRAT( 224 ) ! XPAR=0.8740D+00*ROR+...\n LOSS( ROR ) = 9.8000D-01 * RXRAT( 133 ) ! ROR=0.2000D-01*ROR+0.4200D+...\n & + RXRAT( 134 ) ! ROR=KET+HO2\n & + RXRAT( 135 ) ! ROR+NO2=NTR1\n\n PROD( ETHY ) = 0.0D0\n LOSS( ETHY ) = RXRAT( 136 ) ! ETHY+OH=0.7000D+00*GLY+...\n\n PROD( ETH ) = 0.0D0\n LOSS( ETH ) = RXRAT( 137 ) ! ETH+O=FORM+HO2+CO+0.7000D+...\n & + RXRAT( 138 ) ! ETH+OH=XO2H+RO2+0.1560D+...\n & + RXRAT( 139 ) ! ETH+O3=FORM+0.3500D+00*CO+...\n & + RXRAT( 140 ) ! ETH+NO3=0.5000D+00*NO2+...\n & + RXRAT( 239 ) ! ETH+CL=FMCL+0.2000D+01*XO2+...\n\n PROD( OLE ) = 2.4000D-01 * RXRAT( 161 ) ! ISPD=0.2400D+00*OLE+...\n & + 9.8000D-02 * RXRAT( 170 ) ! INTR+OH=0.9800D-01*OLE+...\n & + 3.0000D-01 * RXRAT( 241 ) ! CL+IOLE=0.3000D+00*OLE+...\n LOSS( OLE ) = RXRAT( 141 ) ! OLE+O=0.2000D+00*ALD2+...\n & + RXRAT( 142 ) ! OLE+OH=0.7810D+00*FORM+...\n & + RXRAT( 143 ) ! OLE+O3=0.2950D+00*ALD2+...\n & + RXRAT( 144 ) ! OLE+NO3=0.5000D+00*NO2+...\n & + RXRAT( 240 ) ! OLE+CL=FMCL+0.3300D+...\n & + RXRAT( 361 ) ! OLE+BR=FMBR+ALD2+XO2H-PAR+RO2\n\n PROD( IOLE ) = 2.9000D-02 * RXRAT( 162 ) ! ISPX+OH=0.2900D-01*IOLE+...\n LOSS( IOLE ) = RXRAT( 145 ) ! IOLE+O=0.1240D+01*ALD2+...\n & + RXRAT( 146 ) ! IOLE+OH=0.1300D+01*ALD2+...\n & + RXRAT( 147 ) ! IOLE+O3=0.7320D+00*ALD2+...\n & + RXRAT( 148 ) ! IOLE+NO3=0.5000D+00*NO2+...\n & + RXRAT( 241 ) ! IOLE+CL=0.3000D+00*HCL+...\n\n PROD( ISOP ) = 0.0D0\n LOSS( ISOP ) = RXRAT( 149 ) ! ISOP+OH=ISO2+RO2+ISOPRXN\n & + RXRAT( 150 ) ! ISOP+O=0.7500D+00*ISPD+...\n & + RXRAT( 156 ) ! ISOP+O3=0.6000D+00*FORM+...\n & + RXRAT( 157 ) ! ISOP+NO3=0.3500D+00*NO2+...\n & + RXRAT( 242 ) ! ISOP+CL=FMCL+ISPD+0.9600D+...\n & + RXRAT( 362 ) ! ISOP+BR=FMBR+ISPD+0.9600D+...\n\n PROD( ISO2 ) = RXRAT( 149 ) ! ISOP+OH=ISO2+RO2+ISOPRXN\n & + 6.7000D-02 * RXRAT( 162 ) ! ISPX+OH=0.6700D-01*ISO2+...\n LOSS( ISO2 ) = RXRAT( 151 ) ! ISO2+NO=0.1000D+00*INTR+...\n & + RXRAT( 152 ) ! ISO2+HO2=0.8800D+00*ISPX+...\n & + RXRAT( 153 ) ! ISO2+C2O3=0.5980D+00*FORM+...\n & + RXRAT( 154 ) ! ISO2+RO2=0.5980D+00*FORM+...\n & + RXRAT( 155 ) ! ISO2=HO2+HPLD\n\n PROD( ISOPRXN ) = RXRAT( 149 ) ! ISOP+OH=ISOPRXN+RO2+ISO2\n & + RXRAT( 157 ) ! ISOP+NO3=ISOPRXN+0.6500D+...\n LOSS( ISOPRXN ) = 0.0D0\n\n PROD( ISPD ) = 7.5000D-01 * RXRAT( 150 ) ! ISOP+O=0.7500D+00*ISPD+...\n & + 9.0000D-01 * RXRAT( 151 ) ! ISO2+NO=0.9000D+00*ISPD+...\n & + 1.2000D-01 * RXRAT( 152 ) ! ISO2+HO2=0.1200D+00*ISPD+...\n & + RXRAT( 153 ) ! ISO2+C2O3=ISPD+0.5980D+...\n & + RXRAT( 154 ) ! ISO2+RO2=ISPD+0.5980D+...\n & + 6.5000D-01 * RXRAT( 156 ) ! ISOP+O3=0.6500D+00*ISPD+...\n & + 3.5000D-01 * RXRAT( 157 ) ! ISOP+NO3=0.3500D+00*ISPD+...\n & + RXRAT( 163 ) ! HPLD=ISPD+OH\n & + RXRAT( 164 ) ! HPLD+NO3=ISPD+HNO3\n & + RXRAT( 242 ) ! CL+ISOP=ISPD+FMCL+0.9600D+...\n & + RXRAT( 362 ) ! ISOP+BR=ISPD+FMBR+0.9600D+...\n LOSS( ISPD ) = RXRAT( 158 ) ! ISPD+OH=0.2200D-01*XO2N+...\n & + RXRAT( 159 ) ! ISPD+O3=0.4000D-01*ALD2+...\n & + RXRAT( 160 ) ! ISPD+NO3=0.7170D+00*HNO3+...\n & + RXRAT( 161 ) ! ISPD=0.7600D+00*HO2+...\n\n PROD( INTR ) = 1.0000D-01 * RXRAT( 151 ) ! ISO2+NO=0.1000D+00*INTR+...\n LOSS( INTR ) = 8.9600D-01 * RXRAT( 170 ) ! INTR+OH=0.1040D+00*INTR+...\n\n PROD( ISPX ) = 8.8000D-01 * RXRAT( 152 ) ! ISO2+HO2=0.8800D+00*ISPX+...\n LOSS( ISPX ) = RXRAT( 162 ) ! ISPX+OH=0.9040D+00*EPOX+...\n\n PROD( HPLD ) = RXRAT( 155 ) ! ISO2=HPLD+HO2\n LOSS( HPLD ) = RXRAT( 163 ) ! HPLD=OH+ISPD\n & + RXRAT( 164 ) ! HPLD+NO3=HNO3+ISPD\n\n PROD( OPO3 ) = 4.5700D-01 * RXRAT( 158 ) ! ISPD+OH=0.4570D+00*OPO3+...\n & + 4.8000D-01 * RXRAT( 196 ) ! CRES+NO3=0.4800D+00*OPO3+...\n & + RXRAT( 206 ) ! OPEN=OPO3+HO2+CO\n & + 6.0000D-01 * RXRAT( 207 ) ! OPEN+OH=0.6000D+00*OPO3+...\n & + RXRAT( 209 ) ! OPEN+NO3=OPO3+HNO3\n & + RXRAT( 214 ) ! OPAN=OPO3+NO2\n LOSS( OPO3 ) = RXRAT( 212 ) ! OPO3+NO=NO2+0.5000D+00*GLY+...\n & + RXRAT( 213 ) ! OPO3+NO2=OPAN\n & + RXRAT( 215 ) ! OPO3+HO2=0.3700D+00*PACD+...\n & + RXRAT( 216 ) ! OPO3+C2O3=MEO2+XO2+ALDX+...\n & + RXRAT( 217 ) ! OPO3+RO2=0.8000D+00*XO2H+...\n\n PROD( EPOX ) = 9.0400D-01 * RXRAT( 162 ) ! ISPX+OH=0.9040D+00*EPOX+...\n LOSS( EPOX ) = RXRAT( 165 ) ! EPOX+OH=EPX2+RO2\n & + RXRAT( 279 ) ! EPOX=IEPOXP\n\n PROD( EPX2 ) = RXRAT( 165 ) ! EPOX+OH=EPX2+RO2\n LOSS( EPX2 ) = RXRAT( 166 ) ! EPX2+HO2=0.2750D+00*GLYD+...\n & + RXRAT( 167 ) ! EPX2+NO=0.2750D+00*GLYD+...\n & + RXRAT( 168 ) ! EPX2+C2O3=0.2200D+00*GLYD+...\n & + RXRAT( 169 ) ! EPX2+RO2=0.2750D+00*GLYD+...\n\n PROD( TERP ) = 0.0D0\n LOSS( TERP ) = RXRAT( 171 ) ! TERP+O=0.1500D+00*ALDX+...\n & + RXRAT( 172 ) ! TERP+OH=0.7500D+00*XO2H+...\n & + RXRAT( 173 ) ! TERP+O3=0.5700D+00*OH+...\n & + RXRAT( 174 ) ! TERP+NO3=0.4700D+00*NO2+...\n\n PROD( TRPRXN ) = RXRAT( 171 ) ! TERP+O=TRPRXN+0.5120D+...\n & + RXRAT( 172 ) ! TERP+OH=TRPRXN+0.5000D+...\n & + RXRAT( 173 ) ! TERP+O3=TRPRXN+0.7000D-...\n & + RXRAT( 175 ) ! APIN+O=TRPRXN+0.5120D+...\n & + RXRAT( 176 ) ! APIN+OH=TRPRXN+0.5000D+...\n & + RXRAT( 177 ) ! APIN+O3=TRPRXN+0.7000D-...\n LOSS( TRPRXN ) = 0.0D0\n\n PROD( TERPNRO2 ) = RXRAT( 174 ) ! TERP+NO3=TERPNRO2+0.2800D+...\n LOSS( TERPNRO2 ) = RXRAT( 284 ) ! TERPNRO2+NO=NO+0.6880D+...\n & + RXRAT( 285 ) ! TERPNRO2+HO2=HO2+MTNO3\n & + RXRAT( 286 ) ! TERPNRO2+NO3=NO3+0.4220D+...\n & + RXRAT( 287 ) ! TERPNRO2+RO2=RO2+0.7110D+...\n\n PROD( APIN ) = 0.0D0\n LOSS( APIN ) = RXRAT( 175 ) ! APIN+O=0.1500D+00*ALDX+...\n & + RXRAT( 176 ) ! APIN+OH=0.7500D+00*XO2H+...\n & + RXRAT( 177 ) ! APIN+O3=0.5700D+00*OH+...\n & + RXRAT( 178 ) ! APIN+NO3=0.4700D+00*NO2+...\n\n PROD( BENZENE ) = 0.0D0\n LOSS( BENZENE ) = RXRAT( 179 ) ! BENZENE+OH=0.5300D+00*CRES+...\n\n PROD( CRES ) = 5.3000D-01 * RXRAT( 179 ) ! BENZENE+OH=0.5300D+00*CRES+...\n & + 1.8000D-01 * RXRAT( 184 ) ! TOL+OH=0.1800D+00*CRES+...\n & + 1.5500D-01 * RXRAT( 189 ) ! XYLMN+OH=0.1550D+00*CRES+...\n & + 1.5500D-01 * RXRAT( 190 ) ! NAPH+OH=0.1550D+00*CRES+...\n & + RXRAT( 198 ) ! CRO+HO2=CRES\n & + 1.8000D-01 * RXRAT( 249 ) ! CL+TOL=0.1800D+00*CRES+HCL+...\n & + 1.5500D-01 * RXRAT( 250 ) ! CL+XYLMN=0.1550D+00*CRES+...\n & + 1.5500D-01 * RXRAT( 251 ) ! CL+NAPH=0.1550D+00*CRES+...\n LOSS( CRES ) = RXRAT( 195 ) ! CRES+OH=0.2500D-01*GLY+...\n & + RXRAT( 196 ) ! CRES+NO3=0.3000D+00*CRO+...\n\n PROD( BZO2 ) = 3.5200D-01 * RXRAT( 179 ) ! BENZENE+OH=0.3520D+00*BZO2+...\n LOSS( BZO2 ) = RXRAT( 180 ) ! BZO2+NO=0.9180D+00*NO2+...\n & + RXRAT( 181 ) ! BZO2+C2O3=GLY+OPEN+HO2+...\n & + RXRAT( 182 ) ! BZO2+HO2=\n & + RXRAT( 183 ) ! BZO2+RO2=GLY+OPEN+HO2+RO2\n\n PROD( OPEN ) = 1.1800D-01 * RXRAT( 179 ) ! BENZENE+OH=0.1180D+00*OPEN+...\n & + 9.1800D-01 * RXRAT( 180 ) ! BZO2+NO=0.9180D+00*OPEN+...\n & + RXRAT( 181 ) ! BZO2+C2O3=OPEN+GLY+HO2+...\n & + RXRAT( 183 ) ! BZO2+RO2=OPEN+GLY+HO2+RO2\n & + 1.0000D-01 * RXRAT( 184 ) ! TOL+OH=0.1000D+00*OPEN+...\n & + 6.6000D-01 * RXRAT( 185 ) ! TO2+NO=0.6600D+00*OPEN+...\n & + 7.7000D-01 * RXRAT( 186 ) ! TO2+C2O3=0.7700D+00*OPEN+...\n & + 7.7000D-01 * RXRAT( 188 ) ! TO2+RO2=0.7700D+00*OPEN+...\n & + 3.0000D-01 * RXRAT( 191 ) ! XLO2+NO=0.3000D+00*OPEN+...\n & + 3.5000D-01 * RXRAT( 193 ) ! XLO2+C2O3=0.3500D+00*OPEN+...\n & + 3.5000D-01 * RXRAT( 194 ) ! XLO2+RO2=0.3500D+00*OPEN+...\n & + 2.5000D-02 * RXRAT( 195 ) ! CRES+OH=0.2500D-01*OPEN+...\n & + RXRAT( 201 ) ! CRON=OPEN+HO2+FORM+HONO\n & + 2.5000D-01 * RXRAT( 205 ) ! XOPN+NO3=0.2500D+00*OPEN+...\n & + 1.0000D-01 * RXRAT( 249 ) ! CL+TOL=0.1000D+00*OPEN+...\n LOSS( OPEN ) = RXRAT( 206 ) ! OPEN=OPO3+HO2+CO\n & + RXRAT( 207 ) ! OPEN+OH=0.6000D+00*OPO3+...\n & + RXRAT( 208 ) ! OPEN+O3=0.1400D+01*GLY+...\n & + RXRAT( 209 ) ! OPEN+NO3=OPO3+HNO3\n\n PROD( BENZRO2 ) = RXRAT( 179 ) ! BENZENE+OH=BENZRO2+0.3520D+...\n LOSS( BENZRO2 ) = RXRAT( 262 ) ! BENZRO2+NO=NO+0.3400D-...\n & + RXRAT( 263 ) ! BENZRO2+HO2=HO2+0.1460D+...\n\n PROD( TOL ) = 0.0D0\n LOSS( TOL ) = RXRAT( 184 ) ! TOL+OH=0.1800D+00*CRES+...\n & + RXRAT( 249 ) ! TOL+CL=HCL+0.1800D+00*CRES+...\n\n PROD( TO2 ) = 6.5000D-01 * RXRAT( 184 ) ! TOL+OH=0.6500D+00*TO2+...\n & + 6.5000D-01 * RXRAT( 249 ) ! CL+TOL=0.6500D+00*TO2+...\n LOSS( TO2 ) = RXRAT( 185 ) ! TO2+NO=0.8600D+00*NO2+...\n & + RXRAT( 186 ) ! TO2+C2O3=0.4800D+00*GLY+...\n & + RXRAT( 187 ) ! TO2+HO2=\n & + RXRAT( 188 ) ! TO2+RO2=0.4800D+00*GLY+...\n\n PROD( TOLRO2 ) = RXRAT( 184 ) ! TOL+OH=TOLRO2+0.6500D+...\n & + RXRAT( 249 ) ! CL+TOL=TOLRO2+0.1800D+...\n LOSS( TOLRO2 ) = RXRAT( 258 ) ! TOLRO2+NO=NO+0.1600D-...\n & + RXRAT( 259 ) ! TOLRO2+HO2=HO2+0.1400D+...\n\n PROD( XOPN ) = 2.0000D-01 * RXRAT( 185 ) ! TO2+NO=0.2000D+00*XOPN+...\n & + 2.3000D-01 * RXRAT( 186 ) ! TO2+C2O3=0.2300D+00*XOPN+...\n & + 2.3000D-01 * RXRAT( 188 ) ! TO2+RO2=0.2300D+00*XOPN+...\n & + 2.4400D-01 * RXRAT( 189 ) ! XYLMN+OH=0.2440D+00*XOPN+...\n & + 2.4400D-01 * RXRAT( 190 ) ! NAPH+OH=0.2440D+00*XOPN+...\n & + 5.6000D-01 * RXRAT( 191 ) ! XLO2+NO=0.5600D+00*XOPN+...\n & + 6.5000D-01 * RXRAT( 193 ) ! XLO2+C2O3=0.6500D+00*XOPN+...\n & + 6.5000D-01 * RXRAT( 194 ) ! XLO2+RO2=0.6500D+00*XOPN+...\n & + 2.4400D-01 * RXRAT( 250 ) ! CL+XYLMN=0.2440D+00*XOPN+...\n & + 2.4400D-01 * RXRAT( 251 ) ! CL+NAPH=0.2440D+00*XOPN+...\n LOSS( XOPN ) = RXRAT( 202 ) ! XOPN=0.4000D+00*GLY+XO2H+...\n & + RXRAT( 203 ) ! XOPN+OH=MGLY+0.4000D+...\n & + RXRAT( 204 ) ! XOPN+O3=0.1200D+01*MGLY+...\n & + RXRAT( 205 ) ! XOPN+NO3=0.5000D+00*NO2+...\n\n PROD( XYLMN ) = 0.0D0\n LOSS( XYLMN ) = RXRAT( 189 ) ! XYLMN+OH=0.1550D+00*CRES+...\n & + RXRAT( 250 ) ! XYLMN+CL=HCL+0.1550D+...\n\n PROD( XLO2 ) = 5.4400D-01 * RXRAT( 189 ) ! XYLMN+OH=0.5440D+00*XLO2+...\n & + 5.4400D-01 * RXRAT( 190 ) ! NAPH+OH=0.5440D+00*XLO2+...\n & + 5.4400D-01 * RXRAT( 250 ) ! CL+XYLMN=0.5440D+00*XLO2+...\n & + 5.4400D-01 * RXRAT( 251 ) ! CL+NAPH=0.5440D+00*XLO2+...\n LOSS( XLO2 ) = RXRAT( 191 ) ! XLO2+NO=0.8600D+00*NO2+...\n & + RXRAT( 192 ) ! XLO2+HO2=\n & + RXRAT( 193 ) ! XLO2+C2O3=0.2600D+00*GLY+...\n & + RXRAT( 194 ) ! XLO2+RO2=0.2600D+00*GLY+...\n\n PROD( XYLRO2 ) = RXRAT( 189 ) ! XYLMN+OH=XYLRO2+0.5440D+...\n & + RXRAT( 250 ) ! CL+XYLMN=XYLRO2+0.1550D+...\n LOSS( XYLRO2 ) = RXRAT( 260 ) ! XYLRO2+NO=NO+0.1500D-...\n & + RXRAT( 261 ) ! XYLRO2+HO2=HO2+0.1930D+...\n\n PROD( NAPH ) = 0.0D0\n LOSS( NAPH ) = RXRAT( 190 ) ! NAPH+OH=0.1550D+00*CRES+...\n & + RXRAT( 251 ) ! NAPH+CL=HCL+0.1550D+...\n\n PROD( PAHRO2 ) = RXRAT( 190 ) ! NAPH+OH=PAHRO2+0.5440D+...\n & + RXRAT( 251 ) ! CL+NAPH=PAHRO2+0.1550D+...\n LOSS( PAHRO2 ) = RXRAT( 267 ) ! PAHRO2+NO=NO+0.2800D-...\n & + RXRAT( 268 ) ! PAHRO2+HO2=HO2+0.4730D+...\n\n PROD( CRO ) = 2.0000D-01 * RXRAT( 195 ) ! CRES+OH=0.2000D+00*CRO+...\n & + 3.0000D-01 * RXRAT( 196 ) ! CRES+NO3=0.3000D+00*CRO+...\n & + 5.0000D-01 * RXRAT( 199 ) ! CRON+OH=0.5000D+00*CRO+NTR2\n & + 5.0000D-01 * RXRAT( 200 ) ! CRON+NO3=0.5000D+00*CRO+...\n & + 5.0000D-01 * RXRAT( 210 ) ! CAT1+OH=0.5000D+00*CRO+...\n & + RXRAT( 211 ) ! CAT1+NO3=CRO+HNO3\n LOSS( CRO ) = RXRAT( 197 ) ! CRO+NO2=CRON\n & + RXRAT( 198 ) ! CRO+HO2=CRES\n\n PROD( CAT1 ) = 7.3200D-01 * RXRAT( 195 ) ! CRES+OH=0.7320D+00*CAT1+...\n LOSS( CAT1 ) = RXRAT( 210 ) ! CAT1+OH=0.1400D+00*FORM+...\n & + RXRAT( 211 ) ! CAT1+NO3=CRO+HNO3\n\n PROD( CRON ) = RXRAT( 197 ) ! CRO+NO2=CRON\n LOSS( CRON ) = RXRAT( 199 ) ! CRON+OH=NTR2+0.5000D+00*CRO\n & + RXRAT( 200 ) ! CRON+NO3=NTR2+0.5000D+...\n & + RXRAT( 201 ) ! CRON=HONO+HO2+FORM+OPEN\n\n PROD( OPAN ) = RXRAT( 213 ) ! OPO3+NO2=OPAN\n LOSS( OPAN ) = RXRAT( 214 ) ! OPAN=OPO3+NO2\n & + RXRAT( 218 ) ! OPAN+OH=0.5000D+00*NO2+...\n\n PROD( ECH4 ) = 0.0D0\n LOSS( ECH4 ) = RXRAT( 220 ) ! ECH4+OH=MEO2+RO2\n\n PROD( CL2 ) = 3.0000D-01 * RXRAT( 229 ) ! CLO+CLO=0.3000D+00*CL2+...\n LOSS( CL2 ) = RXRAT( 226 ) ! CL2=0.2000D+01*CL\n\n PROD( CL ) = 2.0000D+00 * RXRAT( 226 ) ! CL2=0.2000D+01*CL\n & + RXRAT( 227 ) ! HOCL=CL+OH\n & + 1.4000D+00 * RXRAT( 229 ) ! CLO+CLO=0.1400D+01*CL+...\n & + RXRAT( 230 ) ! CLO+NO=CL+NO2\n & + RXRAT( 232 ) ! CLO+MEO2=CL+FORM+HO2\n & + RXRAT( 233 ) ! OH+FMCL=CL+CO\n & + RXRAT( 234 ) ! FMCL=CL+CO+HO2\n & + RXRAT( 248 ) ! HCL+OH=CL\n & + RXRAT( 252 ) ! CLNO2=CL+NO2\n & + RXRAT( 255 ) ! CLNO3=CL+NO3\n & + RXRAT( 358 ) ! BRO+CLO=CL+BR\n & + RXRAT( 367 ) ! MB2C+OH=CL+0.2000D+01*BR+CO\n & + 2.0000D+00 * RXRAT( 368 ) ! MBC2+OH=0.2000D+01*CL+BR+CO\n & + RXRAT( 369 ) ! MBC+OH=CL+BR+CO+HO2\n & + RXRAT( 377 ) ! BRCL=CL+BR\n & + RXRAT( 380 ) ! MB2C=CL+0.2000D+01*BR+HO2+CO\n & + 2.0000D+00 * RXRAT( 381 ) ! MBC2=0.2000D+01*CL+BR+HO2+CO\n & + RXRAT( 405 ) ! IO+CLO=CL+I\n & + RXRAT( 429 ) ! ICL=CL+I\n & + RXRAT( 434 ) ! MIC=CL+I+FORM\n & + RXRAT( 453 ) ! DMS+CLO=CL+0.2500D+00*MSA+...\n LOSS( CL ) = RXRAT( 228 ) ! CL+O3=CLO\n & + RXRAT( 235 ) ! CL=HCL+MEO2+RO2\n & + RXRAT( 236 ) ! CL+PAR=HCL+XPAR\n & + RXRAT( 237 ) ! CL+PRPA=HCL+ACET+0.9700D+...\n & + RXRAT( 238 ) ! CL+ETHA=HCL+0.9910D+...\n & + RXRAT( 239 ) ! CL+ETH=FMCL+0.2000D+01*XO2+...\n & + RXRAT( 240 ) ! CL+OLE=FMCL+0.3300D+...\n & + RXRAT( 241 ) ! CL+IOLE=0.3000D+00*HCL+...\n & + RXRAT( 242 ) ! CL+ISOP=FMCL+ISPD+0.9600D+...\n & + RXRAT( 243 ) ! CL+FORM=HCL+HO2+CO\n & + RXRAT( 244 ) ! CL+ALD2=HCL+C2O3\n & + RXRAT( 245 ) ! CL+ALDX=HCL+CXO3\n & + RXRAT( 246 ) ! CL+MEOH=HCL+HO2+FORM\n & + RXRAT( 247 ) ! CL+ETOH=HCL+HO2+ALD2\n & + RXRAT( 249 ) ! CL+TOL=HCL+0.1800D+00*CRES+...\n & + RXRAT( 250 ) ! CL+XYLMN=HCL+0.1550D+...\n & + RXRAT( 251 ) ! CL+NAPH=HCL+0.1550D+...\n & + RXRAT( 452 ) ! CL+DMS=0.8600D+00*SO2+MEO2+...\n\n PROD( HOCL ) = RXRAT( 231 ) ! CLO+HO2=HOCL\n & + RXRAT( 256 ) ! CLNO3=HOCL+HNO3\n & + RXRAT( 257 ) ! CLNO3=HOCL+HNO3\n LOSS( HOCL ) = RXRAT( 227 ) ! HOCL=OH+CL\n\n PROD( CLO ) = RXRAT( 228 ) ! CL+O3=CLO\n & + RXRAT( 254 ) ! CLNO3=CLO+NO2\n & + 5.5000D-01 * RXRAT( 452 ) ! DMS+CL=0.5500D+00*CLO+MEO2+...\n LOSS( CLO ) = 2.0000D+00 * RXRAT( 229 ) ! CLO+CLO=0.3000D+00*CL2+...\n & + RXRAT( 230 ) ! CLO+NO=CL+NO2\n & + RXRAT( 231 ) ! CLO+HO2=HOCL\n & + RXRAT( 232 ) ! CLO+MEO2=CL+FORM+HO2\n & + RXRAT( 253 ) ! CLO+NO2=CLNO3\n & + RXRAT( 358 ) ! CLO+BRO=BR+CL\n & + RXRAT( 405 ) ! CLO+IO=I+CL\n & + RXRAT( 453 ) ! CLO+DMS=0.7500D+00*SO2+...\n\n PROD( FMCL ) = RXRAT( 239 ) ! CL+ETH=FMCL+0.2000D+01*XO2+...\n & + RXRAT( 240 ) ! CL+OLE=FMCL+0.3300D+...\n & + 7.0000D-01 * RXRAT( 241 ) ! CL+IOLE=0.7000D+00*FMCL+...\n & + RXRAT( 242 ) ! CL+ISOP=FMCL+ISPD+0.9600D+...\n LOSS( FMCL ) = RXRAT( 233 ) ! FMCL+OH=CL+CO\n & + RXRAT( 234 ) ! FMCL=CL+CO+HO2\n\n PROD( HCL ) = RXRAT( 235 ) ! CL=HCL+MEO2+RO2\n & + RXRAT( 236 ) ! CL+PAR=HCL+XPAR\n & + RXRAT( 237 ) ! CL+PRPA=HCL+ACET+0.9700D+...\n & + RXRAT( 238 ) ! CL+ETHA=HCL+0.9910D+...\n & + 3.0000D-01 * RXRAT( 241 ) ! CL+IOLE=0.3000D+00*HCL+...\n & + RXRAT( 243 ) ! CL+FORM=HCL+HO2+CO\n & + RXRAT( 244 ) ! CL+ALD2=HCL+C2O3\n & + RXRAT( 245 ) ! CL+ALDX=HCL+CXO3\n & + RXRAT( 246 ) ! CL+MEOH=HCL+HO2+FORM\n & + RXRAT( 247 ) ! CL+ETOH=HCL+HO2+ALD2\n & + RXRAT( 249 ) ! CL+TOL=HCL+0.1800D+00*CRES+...\n & + RXRAT( 250 ) ! CL+XYLMN=HCL+0.1550D+...\n & + RXRAT( 251 ) ! CL+NAPH=HCL+0.1550D+...\n & + 4.5000D-01 * RXRAT( 452 ) ! DMS+CL=0.4500D+00*HCL+MEO2+...\n LOSS( HCL ) = RXRAT( 248 ) ! HCL+OH=CL\n\n PROD( CLNO2 ) = RXRAT( 275 ) ! H2NO3PIJ+ACLI=CLNO2\n & + RXRAT( 276 ) ! H2NO3PIJ+ACLJ=CLNO2\n & + RXRAT( 277 ) ! H2NO3PK+ACLK=CLNO2\n LOSS( CLNO2 ) = RXRAT( 252 ) ! CLNO2=CL+NO2\n\n PROD( CLNO3 ) = RXRAT( 253 ) ! CLO+NO2=CLNO3\n LOSS( CLNO3 ) = RXRAT( 254 ) ! CLNO3=CLO+NO2\n & + RXRAT( 255 ) ! CLNO3=CL+NO3\n & + RXRAT( 256 ) ! CLNO3=HOCL+HNO3\n & + RXRAT( 257 ) ! CLNO3=HOCL+HNO3\n\n PROD( SVAVB2 ) = 1.6000D-02 * RXRAT( 258 ) ! TOLRO2+NO=0.1600D-...\n & + 1.5000D-02 * RXRAT( 260 ) ! XYLRO2+NO=0.1500D-...\n & + 3.4000D-02 * RXRAT( 262 ) ! BENZRO2+NO=0.3400D-...\n & + 2.8000D-02 * RXRAT( 267 ) ! PAHRO2+NO=0.2800D-...\n & + 6.0000D-03 * RXRAT( 269 ) ! SOAALK+OH=0.6000D-...\n LOSS( SVAVB2 ) = 0.0D0\n\n PROD( SVAVB3 ) = 5.1000D-02 * RXRAT( 258 ) ! TOLRO2+NO=0.5100D-...\n & + 2.3000D-02 * RXRAT( 260 ) ! XYLRO2+NO=0.2300D-...\n & + 2.2500D-01 * RXRAT( 267 ) ! PAHRO2+NO=0.2250D+...\n & + 5.2000D-02 * RXRAT( 269 ) ! SOAALK+OH=0.5200D-...\n LOSS( SVAVB3 ) = 0.0D0\n\n PROD( SVAVB4 ) = 4.7000D-02 * RXRAT( 258 ) ! TOLRO2+NO=0.4700D-...\n & + 6.0000D-02 * RXRAT( 260 ) ! XYLRO2+NO=0.6000D-...\n & + 3.9200D-01 * RXRAT( 262 ) ! BENZRO2+NO=0.3920D+...\n & + 1.9100D-01 * RXRAT( 267 ) ! PAHRO2+NO=0.1910D+...\n & + 8.1000D-02 * RXRAT( 269 ) ! SOAALK+OH=0.8100D-...\n LOSS( SVAVB4 ) = 0.0D0\n\n PROD( SVAVB1 ) = 1.4000D-01 * RXRAT( 259 ) ! TOLRO2+HO2=0.1400D+...\n & + 1.9300D-01 * RXRAT( 261 ) ! XYLRO2+HO2=0.1930D+...\n & + 1.4600D-01 * RXRAT( 263 ) ! BENZRO2+HO2=0.1460D+...\n & + 4.7300D-01 * RXRAT( 268 ) ! PAHRO2+HO2=0.4730D+...\n LOSS( SVAVB1 ) = 0.0D0\n\n PROD( SESQ ) = 0.0D0\n LOSS( SESQ ) = RXRAT( 264 ) ! SESQ+O3=O3+SESQRXN\n & + RXRAT( 265 ) ! SESQ+OH=OH+SESQRXN\n & + RXRAT( 266 ) ! SESQ+NO3=NO3+SESQRXN\n\n PROD( SESQRXN ) = RXRAT( 264 ) ! SESQ+O3=SESQRXN+O3\n & + RXRAT( 265 ) ! SESQ+OH=SESQRXN+OH\n & + RXRAT( 266 ) ! SESQ+NO3=SESQRXN+NO3\n LOSS( SESQRXN ) = 0.0D0\n\n PROD( SOAALK ) = 0.0D0\n LOSS( SOAALK ) = RXRAT( 269 ) ! SOAALK+OH=OH+0.6000D-...\n\n PROD( H2NO3PIJ ) = RXRAT( 271 ) ! N2O5=H2NO3PIJ+HNO3\n LOSS( H2NO3PIJ ) = RXRAT( 273 ) ! H2NO3PIJ=HNO3\n & + RXRAT( 275 ) ! H2NO3PIJ+ACLI=CLNO2\n & + RXRAT( 276 ) ! H2NO3PIJ+ACLJ=CLNO2\n\n PROD( H2NO3PK ) = RXRAT( 272 ) ! N2O5=H2NO3PK+HNO3\n LOSS( H2NO3PK ) = RXRAT( 274 ) ! H2NO3PK=HNO3\n & + RXRAT( 277 ) ! H2NO3PK+ACLK=CLNO2\n\n PROD( ACLI ) = 0.0D0\n LOSS( ACLI ) = RXRAT( 275 ) ! ACLI+H2NO3PIJ=CLNO2\n\n PROD( ACLJ ) = 0.0D0\n LOSS( ACLJ ) = RXRAT( 276 ) ! ACLJ+H2NO3PIJ=CLNO2\n & + RXRAT( 384 ) ! ACLJ+HOBR=BRCL\n & + RXRAT( 386 ) ! ACLJ+BRNO3=BRCL+HNO3\n & + RXRAT( 388 ) ! ACLJ+BRNO2=BRCL+HONO\n & + RXRAT( 443 ) ! ACLJ+INO3=ICL+HNO3\n & + RXRAT( 445 ) ! ACLJ+INO2=ICL+HONO\n & + RXRAT( 447 ) ! ACLJ+HOI=ICL\n\n PROD( ACLK ) = 0.0D0\n LOSS( ACLK ) = RXRAT( 277 ) ! ACLK+H2NO3PK=CLNO2\n\n PROD( IEPOXP ) = RXRAT( 279 ) ! EPOX=IEPOXP\n LOSS( IEPOXP ) = RXRAT( 280 ) ! IEPOXP+ASO4J=AISO3J\n & + RXRAT( 281 ) ! IEPOXP=AISO3J\n\n PROD( ASO4J ) = 0.0D0\n LOSS( ASO4J ) = RXRAT( 280 ) ! ASO4J+IEPOXP=AISO3J\n\n PROD( AISO3J ) = RXRAT( 280 ) ! IEPOXP+ASO4J=AISO3J\n & + RXRAT( 281 ) ! IEPOXP=AISO3J\n LOSS( AISO3J ) = 0.0D0\n\n PROD( AGLYJ ) = RXRAT( 282 ) ! GLY=AGLYJ\n & + RXRAT( 283 ) ! MGLY=AGLYJ\n LOSS( AGLYJ ) = 0.0D0\n\n PROD( MTNO3 ) = 6.8800D-01 * RXRAT( 284 ) ! TERPNRO2+NO=0.6880D+...\n & + RXRAT( 285 ) ! TERPNRO2+HO2=MTNO3+HO2\n & + 4.2200D-01 * RXRAT( 286 ) ! TERPNRO2+NO3=0.4220D+...\n & + 7.1100D-01 * RXRAT( 287 ) ! TERPNRO2+RO2=0.7110D+...\n LOSS( MTNO3 ) = 6.3000D-01 * RXRAT( 288 ) ! MTNO3+CL=0.3700D+00*MTNO3+CL\n & + 7.6000D-01 * RXRAT( 289 ) ! MTNO3+OH=0.2400D+00*MTNO3+OH\n & + RXRAT( 290 ) ! MTNO3=\n\n PROD( AMTNO3J ) = 0.0D0\n LOSS( AMTNO3J ) = RXRAT( 291 ) ! AMTNO3J=AMTHYDJ\n\n PROD( AMTHYDJ ) = RXRAT( 291 ) ! AMTNO3J=AMTHYDJ\n LOSS( AMTHYDJ ) = 0.0D0\n\n PROD( AAVB2J ) = 0.0D0\n LOSS( AAVB2J ) = RXRAT( 292 ) ! AAVB2J=0.9070D+00*AOLGAJ\n\n PROD( AOLGAJ ) = 9.0700D-01 * RXRAT( 292 ) ! AAVB2J=0.9070D+00*AOLGAJ\n & + 9.2500D-01 * RXRAT( 293 ) ! AAVB3J=0.9250D+00*AOLGAJ\n & + 9.4300D-01 * RXRAT( 294 ) ! AAVB4J=0.9430D+00*AOLGAJ\n LOSS( AOLGAJ ) = 0.0D0\n\n PROD( AAVB3J ) = 0.0D0\n LOSS( AAVB3J ) = RXRAT( 293 ) ! AAVB3J=0.9250D+00*AOLGAJ\n\n PROD( AAVB4J ) = 0.0D0\n LOSS( AAVB4J ) = RXRAT( 294 ) ! AAVB4J=0.9430D+00*AOLGAJ\n\n PROD( AISO1J ) = 0.0D0\n LOSS( AISO1J ) = RXRAT( 295 ) ! AISO1J=0.5000D+00*AOLGBJ\n\n PROD( AOLGBJ ) = 5.0000D-01 * RXRAT( 295 ) ! AISO1J=0.5000D+00*AOLGBJ\n & + 5.0000D-01 * RXRAT( 296 ) ! AISO2J=0.5000D+00*AOLGBJ\n & + 1.5000D+00 * RXRAT( 297 ) ! ASQTJ=0.1500D+01*AOLGBJ\n LOSS( AOLGBJ ) = 0.0D0\n\n PROD( AISO2J ) = 0.0D0\n LOSS( AISO2J ) = RXRAT( 296 ) ! AISO2J=0.5000D+00*AOLGBJ\n\n PROD( ASQTJ ) = 0.0D0\n LOSS( ASQTJ ) = RXRAT( 297 ) ! ASQTJ=0.1500D+01*AOLGBJ\n\n PROD( APOCI ) = 0.0D0\n LOSS( APOCI ) = 0.0D0\n\n PROD( APNCOMI ) = 1.2500D+00 * RXRAT( 298 ) ! APOCI+OH=0.1250D+...\n LOSS( APNCOMI ) = RXRAT( 299 ) ! APNCOMI+OH=OH\n\n PROD( APOCJ ) = 0.0D0\n LOSS( APOCJ ) = 0.0D0\n\n PROD( APNCOMJ ) = 1.2500D+00 * RXRAT( 300 ) ! APOCJ+OH=0.1250D+...\n LOSS( APNCOMJ ) = RXRAT( 301 ) ! APNCOMJ+OH=OH\n\n PROD( PCVOC ) = 0.0D0\n LOSS( PCVOC ) = RXRAT( 302 ) ! PCVOC+OH=OH+PCSOARXN\n\n PROD( PCSOARXN ) = RXRAT( 302 ) ! PCVOC+OH=PCSOARXN+OH\n LOSS( PCSOARXN ) = 0.0D0\n\n PROD( VLVPO1 ) = 3.0030D-01 * RXRAT( 304 ) ! VSVPO1+OH=0.3003D+...\n & + 3.8560D-01 * RXRAT( 305 ) ! VSVPO2+OH=0.3856D+...\n & + 2.1810D-01 * RXRAT( 306 ) ! VSVPO3+OH=0.2181D+...\n & + 2.4120D-01 * RXRAT( 307 ) ! VIVPO1+OH=0.2412D+...\n LOSS( VLVPO1 ) = 5.1430D-01 * RXRAT( 303 ) ! VLVPO1+OH=0.4857D+...\n\n PROD( VSVPO1 ) = 6.2000D-03 * RXRAT( 303 ) ! VLVPO1+OH=0.6200D-...\n & + 9.5000D-02 * RXRAT( 305 ) ! VSVPO2+OH=0.9500D-...\n & + 3.0630D-01 * RXRAT( 306 ) ! VSVPO3+OH=0.3063D+...\n & + 2.0890D-01 * RXRAT( 307 ) ! VIVPO1+OH=0.2089D+...\n LOSS( VSVPO1 ) = 7.1380D-01 * RXRAT( 304 ) ! VSVPO1+OH=0.2862D+...\n\n PROD( VSVPO2 ) = 2.5000D-03 * RXRAT( 303 ) ! VLVPO1+OH=0.2500D-...\n & + 4.1000D-03 * RXRAT( 304 ) ! VSVPO1+OH=0.4100D-...\n & + 1.5300D-02 * RXRAT( 306 ) ! VSVPO3+OH=0.1530D-...\n & + 3.0000D-01 * RXRAT( 307 ) ! VIVPO1+OH=0.3000D+...\n LOSS( VSVPO2 ) = 8.6270D-01 * RXRAT( 305 ) ! VSVPO2+OH=0.1373D+...\n\n PROD( VSVPO3 ) = 2.6000D-03 * RXRAT( 303 ) ! VLVPO1+OH=0.2600D-...\n & + 3.5000D-03 * RXRAT( 304 ) ! VSVPO1+OH=0.3500D-...\n & + 5.0000D-04 * RXRAT( 305 ) ! VSVPO2+OH=0.5000D-...\n LOSS( VSVPO3 ) = 8.9570D-01 * RXRAT( 306 ) ! VSVPO3+OH=0.1043D+...\n\n PROD( VIVPO1 ) = 2.3000D-03 * RXRAT( 303 ) ! VLVPO1+OH=0.2300D-...\n LOSS( VIVPO1 ) = RXRAT( 307 ) ! VIVPO1+OH=OH+0.2412D+...\n\n PROD( VLVOO1 ) = 2.9440D-01 * RXRAT( 303 ) ! VLVPO1+OH=0.2944D+...\n & + 2.2390D-01 * RXRAT( 304 ) ! VSVPO1+OH=0.2239D+...\n & + 2.0510D-01 * RXRAT( 305 ) ! VSVPO2+OH=0.2051D+...\n & + 1.8930D-01 * RXRAT( 306 ) ! VSVPO3+OH=0.1893D+...\n & + 2.0280D-01 * RXRAT( 307 ) ! VIVPO1+OH=0.2028D+...\n & + 2.8580D-01 * RXRAT( 309 ) ! VLVOO2+OH=0.2858D+...\n & + 3.3030D-01 * RXRAT( 310 ) ! VSVOO1+OH=0.3303D+...\n & + 3.4440D-01 * RXRAT( 311 ) ! VSVOO2+OH=0.3444D+...\n & + 3.8860D-01 * RXRAT( 312 ) ! VSVOO3+OH=0.3886D+...\n LOSS( VLVOO1 ) = 3.3360D-01 * RXRAT( 308 ) ! VLVOO1+OH=0.6664D+...\n\n PROD( VLVOO2 ) = 2.0210D-01 * RXRAT( 303 ) ! VLVPO1+OH=0.2021D+...\n & + 1.8200D-01 * RXRAT( 304 ) ! VSVPO1+OH=0.1820D+...\n & + 1.7640D-01 * RXRAT( 305 ) ! VSVPO2+OH=0.1764D+...\n & + 1.6680D-01 * RXRAT( 306 ) ! VSVPO3+OH=0.1668D+...\n & + 4.7100D-02 * RXRAT( 307 ) ! VIVPO1+OH=0.4710D-...\n & + 1.4300D-02 * RXRAT( 308 ) ! VLVOO1+OH=0.1430D-...\n & + 2.2720D-01 * RXRAT( 310 ) ! VSVOO1+OH=0.2272D+...\n & + 2.7490D-01 * RXRAT( 311 ) ! VSVOO2+OH=0.2749D+...\n & + 2.4210D-01 * RXRAT( 312 ) ! VSVOO3+OH=0.2421D+...\n LOSS( VLVOO2 ) = 6.0690D-01 * RXRAT( 309 ) ! VLVOO2+OH=0.3931D+...\n\n PROD( VSVOO2 ) = 1.9000D-03 * RXRAT( 303 ) ! VLVPO1+OH=0.1900D-...\n & + 1.2390D-01 * RXRAT( 308 ) ! VLVOO1+OH=0.1239D+...\n & + 1.0270D-01 * RXRAT( 309 ) ! VLVOO2+OH=0.1027D+...\n & + 7.0200D-02 * RXRAT( 310 ) ! VSVOO1+OH=0.7020D-...\n & + 3.8500D-02 * RXRAT( 312 ) ! VSVOO3+OH=0.3850D-...\n LOSS( VSVOO2 ) = 7.4230D-01 * RXRAT( 311 ) ! VSVOO2+OH=0.2577D+...\n\n PROD( VSVOO3 ) = 2.3000D-03 * RXRAT( 303 ) ! VLVPO1+OH=0.2300D-...\n & + 1.8310D-01 * RXRAT( 308 ) ! VLVOO1+OH=0.1831D+...\n & + 2.0450D-01 * RXRAT( 309 ) ! VLVOO2+OH=0.2045D+...\n & + 1.1160D-01 * RXRAT( 310 ) ! VSVOO1+OH=0.1116D+...\n & + 7.3900D-02 * RXRAT( 311 ) ! VSVOO2+OH=0.7390D-...\n LOSS( VSVOO3 ) = 7.3330D-01 * RXRAT( 312 ) ! VSVOO3+OH=0.2667D+...\n\n PROD( VSVOO1 ) = 1.2300D-02 * RXRAT( 308 ) ! VLVOO1+OH=0.1230D-...\n & + 1.3900D-02 * RXRAT( 309 ) ! VLVOO2+OH=0.1390D-...\n & + 4.9100D-02 * RXRAT( 311 ) ! VSVOO2+OH=0.4910D-...\n & + 6.4000D-02 * RXRAT( 312 ) ! VSVOO3+OH=0.6400D-...\n LOSS( VSVOO1 ) = 7.3930D-01 * RXRAT( 310 ) ! VSVOO1+OH=0.2607D+...\n\n PROD( FORM_PRIMARY ) = 0.0D0\n LOSS( FORM_PRIMARY ) = RXRAT( 313 ) ! FORM_PRIMARY+OH=OH\n & + RXRAT( 314 ) ! FORM_PRIMARY+NO3=NO3\n & + RXRAT( 315 ) ! FORM_PRIMARY+O=O\n & + RXRAT( 316 ) ! FORM_PRIMARY=\n & + RXRAT( 317 ) ! FORM_PRIMARY=\n & + RXRAT( 318 ) ! FORM_PRIMARY+CL=CL\n\n PROD( ALD2_PRIMARY ) = 0.0D0\n LOSS( ALD2_PRIMARY ) = RXRAT( 319 ) ! ALD2_PRIMARY+OH=OH\n & + RXRAT( 320 ) ! ALD2_PRIMARY+NO3=NO3\n & + RXRAT( 321 ) ! ALD2_PRIMARY+O=O\n & + RXRAT( 322 ) ! ALD2_PRIMARY=\n & + RXRAT( 323 ) ! ALD2_PRIMARY+CL=CL\n\n PROD( BUTADIENE13 ) = 0.0D0\n LOSS( BUTADIENE13 ) = RXRAT( 324 ) ! BUTADIENE13+OH=OH+0.5800D+...\n & + RXRAT( 325 ) ! BUTADIENE13+O3=O3+0.5200D+...\n & + RXRAT( 326 ) ! BUTADIENE13+NO3=NO3+...\n & + RXRAT( 327 ) ! BUTADIENE13+CL=CL+0.5800D+...\n\n PROD( ACROLEIN ) = 5.8000D-01 * RXRAT( 324 ) ! BUTADIENE13+OH=0.5800D+...\n & + 5.2000D-01 * RXRAT( 325 ) ! BUTADIENE13+O3=0.5200D+...\n & + 4.5000D-02 * RXRAT( 326 ) ! BUTADIENE13+NO3=0.4500D-...\n & + 5.8000D-01 * RXRAT( 327 ) ! BUTADIENE13+CL=0.5800D+...\n LOSS( ACROLEIN ) = RXRAT( 333 ) ! ACROLEIN+OH=OH\n & + RXRAT( 334 ) ! ACROLEIN+O3=O3\n & + RXRAT( 335 ) ! ACROLEIN+NO3=NO3\n & + RXRAT( 336 ) ! ACROLEIN=\n & + RXRAT( 337 ) ! ACROLEIN+CL=CL\n\n PROD( ACRO_PRIMARY ) = 0.0D0\n LOSS( ACRO_PRIMARY ) = RXRAT( 328 ) ! ACRO_PRIMARY+OH=OH\n & + RXRAT( 329 ) ! ACRO_PRIMARY+O3=O3\n & + RXRAT( 330 ) ! ACRO_PRIMARY+NO3=NO3\n & + RXRAT( 331 ) ! ACRO_PRIMARY=\n & + RXRAT( 332 ) ! ACRO_PRIMARY+CL=CL\n\n PROD( TOLU ) = 0.0D0\n LOSS( TOLU ) = RXRAT( 338 ) ! TOLU+OH=OH\n & + RXRAT( 339 ) ! TOLU+CL=CL\n\n PROD( HG ) = 0.0D0\n LOSS( HG ) = RXRAT( 340 ) ! HG+O3=0.5000D+00*HGIIAER+...\n & + RXRAT( 341 ) ! HG+CL2=HGIIGAS+CL2\n & + RXRAT( 342 ) ! HG+H2O2=HGIIGAS+H2O2\n & + RXRAT( 343 ) ! HG+OH=0.5000D+00*HGIIAER+...\n & + 5.0000D-01 * RXRAT( 344 ) ! HG+CL=0.5000D+00*HG+...\n\n PROD( HGIIAER ) = 5.0000D-01 * RXRAT( 340 ) ! HG+O3=0.5000D+00*HGIIAER+...\n & + 5.0000D-01 * RXRAT( 343 ) ! HG+OH=0.5000D+00*HGIIAER+...\n LOSS( HGIIAER ) = 0.0D0\n\n PROD( HGIIGAS ) = 5.0000D-01 * RXRAT( 340 ) ! HG+O3=0.5000D+00*HGIIGAS+...\n & + RXRAT( 341 ) ! HG+CL2=HGIIGAS+CL2\n & + RXRAT( 342 ) ! HG+H2O2=HGIIGAS+H2O2\n & + 5.0000D-01 * RXRAT( 343 ) ! HG+OH=0.5000D+00*HGIIGAS+...\n & + 5.0000D-01 * RXRAT( 344 ) ! HG+CL=0.5000D+00*HGIIGAS+...\n LOSS( HGIIGAS ) = 0.0D0\n\n PROD( BR ) = RXRAT( 348 ) ! HBR+OH=BR\n & + 2.0000D+00 * RXRAT( 349 ) ! BRO+BRO=0.2000D+01*BR\n & + RXRAT( 351 ) ! BRO+NO=BR+NO2\n & + RXRAT( 353 ) ! BR2+OH=BR+HOBR\n & + RXRAT( 354 ) ! BRO+OH=BR+HO2\n & + RXRAT( 358 ) ! BRO+CLO=BR+CL\n & + RXRAT( 363 ) ! FMBR+OH=BR+CO\n & + 2.0000D-01 * RXRAT( 364 ) ! BRO+MEO2=0.2000D+00*BR+...\n & + 3.0000D+00 * RXRAT( 365 ) ! MB3+OH=0.3000D+01*BR+CO\n & + 2.0000D+00 * RXRAT( 366 ) ! MB2+OH=0.2000D+01*BR+HO2+CO\n & + 2.0000D+00 * RXRAT( 367 ) ! MB2C+OH=0.2000D+01*BR+CL+CO\n & + RXRAT( 368 ) ! MBC2+OH=BR+0.2000D+01*CL+CO\n & + RXRAT( 369 ) ! MBC+OH=BR+CL+CO+HO2\n & + RXRAT( 370 ) ! DMS+BRO=BR+0.2500D+00*MSA+...\n & + 2.0000D+00 * RXRAT( 371 ) ! BR2=0.2000D+01*BR\n & + RXRAT( 372 ) ! HOBR=BR+OH\n & + RXRAT( 373 ) ! BRO=BR+O\n & + RXRAT( 374 ) ! BRNO2=BR+NO2\n & + RXRAT( 376 ) ! BRNO3=BR+NO3\n & + RXRAT( 377 ) ! BRCL=BR+CL\n & + RXRAT( 378 ) ! FMBR=BR+CO+HO2\n & + 3.0000D+00 * RXRAT( 379 ) ! MB3=0.3000D+01*BR+HO2+CO\n & + 2.0000D+00 * RXRAT( 380 ) ! MB2C=0.2000D+01*BR+CL+HO2+CO\n & + RXRAT( 381 ) ! MBC2=BR+0.2000D+01*CL+HO2+CO\n & + RXRAT( 402 ) ! I+BRO=BR+IO\n & + RXRAT( 404 ) ! IO+BRO=BR+I\n & + RXRAT( 430 ) ! IBR=BR+I\n & + RXRAT( 433 ) ! MIB=BR+I+FORM\n LOSS( BR ) = RXRAT( 345 ) ! BR+O3=BRO\n & + RXRAT( 347 ) ! BR+HO2=HBR\n & + RXRAT( 352 ) ! BR+BRNO3=BR2+NO3\n & + RXRAT( 355 ) ! BR+NO3=BRO+NO2\n & + RXRAT( 357 ) ! BR+NO2=BRNO2\n & + RXRAT( 359 ) ! BR+FORM=HBR+HO2+CO\n & + RXRAT( 360 ) ! BR+ALD2=HBR+C2O3\n & + RXRAT( 361 ) ! BR+OLE=FMBR+ALD2+XO2H-PAR+RO2\n & + RXRAT( 362 ) ! BR+ISOP=FMBR+ISPD+0.9600D+...\n & + RXRAT( 403 ) ! BR+IO=I+BRO\n\n PROD( BRO ) = RXRAT( 345 ) ! BR+O3=BRO\n & + RXRAT( 355 ) ! BR+NO3=BRO+NO2\n & + RXRAT( 375 ) ! BRNO3=BRO+NO2\n & + RXRAT( 403 ) ! IO+BR=BRO+I\n LOSS( BRO ) = RXRAT( 346 ) ! BRO+HO2=HOBR\n & + 2.0000D+00 * RXRAT( 349 ) ! BRO+BRO=0.2000D+01*BR\n & + 2.0000D+00 * RXRAT( 350 ) ! BRO+BRO=BR2\n & + RXRAT( 351 ) ! BRO+NO=BR+NO2\n & + RXRAT( 354 ) ! BRO+OH=BR+HO2\n & + RXRAT( 356 ) ! BRO+NO2=BRNO3\n & + RXRAT( 358 ) ! BRO+CLO=BR+CL\n & + RXRAT( 364 ) ! BRO+MEO2=0.8000D+00*HOBR+...\n & + RXRAT( 370 ) ! BRO+DMS=0.7500D+00*SO2+...\n & + RXRAT( 373 ) ! BRO=BR+O\n & + RXRAT( 402 ) ! BRO+I=IO+BR\n & + RXRAT( 404 ) ! BRO+IO=BR+I\n\n PROD( HOBR ) = RXRAT( 346 ) ! BRO+HO2=HOBR\n & + RXRAT( 353 ) ! BR2+OH=HOBR+BR\n & + 8.0000D-01 * RXRAT( 364 ) ! BRO+MEO2=0.8000D+00*HOBR+...\n & + RXRAT( 382 ) ! BRNO3=HOBR+HNO3\n & + RXRAT( 383 ) ! BRNO3=HOBR+HNO3\n LOSS( HOBR ) = RXRAT( 372 ) ! HOBR=OH+BR\n & + RXRAT( 384 ) ! HOBR+ACLJ=BRCL\n & + RXRAT( 385 ) ! HOBR+ABRJ=BR2\n\n PROD( HBR ) = RXRAT( 347 ) ! BR+HO2=HBR\n & + RXRAT( 359 ) ! FORM+BR=HBR+HO2+CO\n & + RXRAT( 360 ) ! ALD2+BR=HBR+C2O3\n LOSS( HBR ) = RXRAT( 348 ) ! HBR+OH=BR\n & + RXRAT( 390 ) ! HBR=ABRJ\n\n PROD( BR2 ) = RXRAT( 350 ) ! BRO+BRO=BR2\n & + RXRAT( 352 ) ! BR+BRNO3=BR2+NO3\n & + RXRAT( 385 ) ! HOBR+ABRJ=BR2\n & + RXRAT( 387 ) ! BRNO3+ABRJ=BR2+HNO3\n & + RXRAT( 389 ) ! BRNO2+ABRJ=BR2+HONO\n LOSS( BR2 ) = RXRAT( 353 ) ! BR2+OH=HOBR+BR\n & + RXRAT( 371 ) ! BR2=0.2000D+01*BR\n\n PROD( BRNO3 ) = RXRAT( 356 ) ! BRO+NO2=BRNO3\n LOSS( BRNO3 ) = RXRAT( 352 ) ! BRNO3+BR=BR2+NO3\n & + RXRAT( 375 ) ! BRNO3=BRO+NO2\n & + RXRAT( 376 ) ! BRNO3=BR+NO3\n & + RXRAT( 382 ) ! BRNO3=HOBR+HNO3\n & + RXRAT( 383 ) ! BRNO3=HOBR+HNO3\n & + RXRAT( 386 ) ! BRNO3+ACLJ=BRCL+HNO3\n & + RXRAT( 387 ) ! BRNO3+ABRJ=BR2+HNO3\n\n PROD( BRNO2 ) = RXRAT( 357 ) ! BR+NO2=BRNO2\n LOSS( BRNO2 ) = RXRAT( 374 ) ! BRNO2=BR+NO2\n & + RXRAT( 388 ) ! BRNO2+ACLJ=BRCL+HONO\n & + RXRAT( 389 ) ! BRNO2+ABRJ=BR2+HONO\n\n PROD( FMBR ) = RXRAT( 361 ) ! OLE+BR=FMBR+ALD2+XO2H-PAR+RO2\n & + RXRAT( 362 ) ! ISOP+BR=FMBR+ISPD+0.9600D+...\n LOSS( FMBR ) = RXRAT( 363 ) ! FMBR+OH=BR+CO\n & + RXRAT( 378 ) ! FMBR=BR+CO+HO2\n\n PROD( MB3 ) = 0.0D0\n LOSS( MB3 ) = RXRAT( 365 ) ! MB3+OH=0.3000D+01*BR+CO\n & + RXRAT( 379 ) ! MB3=0.3000D+01*BR+HO2+CO\n\n PROD( MB2 ) = 0.0D0\n LOSS( MB2 ) = RXRAT( 366 ) ! MB2+OH=0.2000D+01*BR+HO2+CO\n\n PROD( MB2C ) = 0.0D0\n LOSS( MB2C ) = RXRAT( 367 ) ! MB2C+OH=0.2000D+01*BR+CL+CO\n & + RXRAT( 380 ) ! MB2C=0.2000D+01*BR+CL+HO2+CO\n\n PROD( MBC2 ) = 0.0D0\n LOSS( MBC2 ) = RXRAT( 368 ) ! MBC2+OH=BR+0.2000D+01*CL+CO\n & + RXRAT( 381 ) ! MBC2=BR+0.2000D+01*CL+HO2+CO\n\n PROD( MBC ) = 0.0D0\n LOSS( MBC ) = RXRAT( 369 ) ! MBC+OH=BR+CL+CO+HO2\n\n PROD( DMS ) = 0.0D0\n LOSS( DMS ) = RXRAT( 370 ) ! DMS+BRO=0.7500D+00*SO2+...\n & + RXRAT( 418 ) ! DMS+IO=0.7500D+00*SO2+...\n & + RXRAT( 449 ) ! DMS+OH=SO2+MEO2+FORM\n & + RXRAT( 450 ) ! DMS+OH=0.7500D+00*SO2+...\n & + RXRAT( 451 ) ! DMS+NO3=SO2+HNO3+MEO2+FORM\n & + RXRAT( 452 ) ! DMS+CL=0.8600D+00*SO2+MEO2+...\n & + RXRAT( 453 ) ! DMS+CLO=0.7500D+00*SO2+...\n\n PROD( MSA ) = 2.5000D-01 * RXRAT( 370 ) ! DMS+BRO=0.2500D+00*MSA+...\n & + 2.5000D-01 * RXRAT( 418 ) ! DMS+IO=0.2500D+00*MSA+...\n & + 2.5000D-01 * RXRAT( 450 ) ! DMS+OH=0.2500D+00*MSA+...\n & + 1.4000D-01 * RXRAT( 452 ) ! DMS+CL=0.1400D+00*MSA+MEO2+...\n & + 2.5000D-01 * RXRAT( 453 ) ! DMS+CLO=0.2500D+00*MSA+...\n LOSS( MSA ) = 0.0D0\n\n PROD( BRCL ) = RXRAT( 384 ) ! HOBR+ACLJ=BRCL\n & + RXRAT( 386 ) ! BRNO3+ACLJ=BRCL+HNO3\n & + RXRAT( 388 ) ! BRNO2+ACLJ=BRCL+HONO\n LOSS( BRCL ) = RXRAT( 377 ) ! BRCL=BR+CL\n\n PROD( ABRJ ) = RXRAT( 390 ) ! HBR=ABRJ\n LOSS( ABRJ ) = RXRAT( 385 ) ! ABRJ+HOBR=BR2\n & + RXRAT( 387 ) ! ABRJ+BRNO3=BR2+HNO3\n & + RXRAT( 389 ) ! ABRJ+BRNO2=BR2+HONO\n & + RXRAT( 444 ) ! ABRJ+INO3=IBR+HNO3\n & + RXRAT( 446 ) ! ABRJ+INO2=IBR+HONO\n & + RXRAT( 448 ) ! ABRJ+HOI=IBR\n\n PROD( I ) = RXRAT( 393 ) ! I2+OH=I+HOI\n & + RXRAT( 394 ) ! HI+OH=I\n & + RXRAT( 397 ) ! IO+NO=I+NO2\n & + RXRAT( 400 ) ! I2+NO3=I+INO3\n & + RXRAT( 403 ) ! IO+BR=I+BRO\n & + RXRAT( 404 ) ! IO+BRO=I+BR\n & + RXRAT( 405 ) ! IO+CLO=I+CL\n & + 4.0000D-01 * RXRAT( 408 ) ! IO+IO=0.4000D+00*I+0.4000D+...\n & + RXRAT( 410 ) ! I2O2=I+OIO\n & + RXRAT( 412 ) ! INO2=I+NO2\n & + RXRAT( 417 ) ! CH3I+OH=I+FORM\n & + RXRAT( 418 ) ! DMS+IO=I+0.2500D+00*MSA+...\n & + 2.0000D+00 * RXRAT( 419 ) ! I2=0.2000D+01*I\n & + RXRAT( 420 ) ! HOI=I+OH\n & + RXRAT( 421 ) ! IO=I+O\n & + RXRAT( 422 ) ! OIO=I\n & + RXRAT( 423 ) ! INO=I+NO\n & + RXRAT( 424 ) ! INO2=I+NO2\n & + RXRAT( 425 ) ! INO3=I+NO3\n & + RXRAT( 426 ) ! I2O2=I+OIO\n & + RXRAT( 429 ) ! ICL=I+CL\n & + RXRAT( 430 ) ! IBR=I+BR\n & + RXRAT( 431 ) ! CH3I=I+MEO2\n & + 2.0000D+00 * RXRAT( 432 ) ! MI2=0.2000D+01*I+FORM\n & + RXRAT( 433 ) ! MIB=I+BR+FORM\n & + RXRAT( 434 ) ! MIC=I+CL+FORM\n LOSS( I ) = RXRAT( 391 ) ! I+O3=IO\n & + RXRAT( 392 ) ! I+HO2=HI\n & + RXRAT( 401 ) ! I+INO3=I2+NO3\n & + RXRAT( 402 ) ! I+BRO=IO+BR\n & + RXRAT( 414 ) ! I+NO=INO\n & + RXRAT( 415 ) ! I+NO2=INO2\n\n PROD( IO ) = RXRAT( 391 ) ! I+O3=IO\n & + RXRAT( 395 ) ! HOI+OH=IO\n & + RXRAT( 402 ) ! I+BRO=IO+BR\n & + RXRAT( 407 ) ! OIO+NO=IO+NO2\n & + RXRAT( 413 ) ! INO3=IO+NO2\n & + RXRAT( 427 ) ! I2O3=IO+OIO\n & + RXRAT( 435 ) ! HOI+NO3=IO+HNO3\n & + 2.0000D+00 * RXRAT( 436 ) ! I2O2=0.2000D+01*IO\n LOSS( IO ) = RXRAT( 396 ) ! IO+HO2=HOI\n & + RXRAT( 397 ) ! IO+NO=I+NO2\n & + RXRAT( 403 ) ! IO+BR=I+BRO\n & + RXRAT( 404 ) ! IO+BRO=BR+I\n & + RXRAT( 405 ) ! IO+CLO=I+CL\n & + 2.0000D+00 * RXRAT( 408 ) ! IO+IO=0.4000D+00*OIO+...\n & + RXRAT( 409 ) ! IO+OIO=I2O3\n & + RXRAT( 416 ) ! IO+NO2=INO3\n & + RXRAT( 418 ) ! IO+DMS=0.7500D+00*SO2+...\n & + RXRAT( 421 ) ! IO=I+O\n\n PROD( HI ) = RXRAT( 392 ) ! I+HO2=HI\n LOSS( HI ) = RXRAT( 394 ) ! HI+OH=I\n\n PROD( I2 ) = RXRAT( 398 ) ! INO+INO=I2+0.2000D+01*NO\n & + RXRAT( 399 ) ! INO2+INO2=I2+0.2000D+01*NO2\n & + RXRAT( 401 ) ! INO3+I=I2+NO3\n LOSS( I2 ) = RXRAT( 393 ) ! I2+OH=HOI+I\n & + RXRAT( 400 ) ! I2+NO3=I+INO3\n & + RXRAT( 419 ) ! I2=0.2000D+01*I\n\n PROD( HOI ) = RXRAT( 393 ) ! I2+OH=HOI+I\n & + RXRAT( 396 ) ! IO+HO2=HOI\n LOSS( HOI ) = RXRAT( 395 ) ! HOI+OH=IO\n & + RXRAT( 420 ) ! HOI=I+OH\n & + RXRAT( 435 ) ! HOI+NO3=IO+HNO3\n & + RXRAT( 447 ) ! HOI+ACLJ=ICL\n & + RXRAT( 448 ) ! HOI+ABRJ=IBR\n\n PROD( INO ) = RXRAT( 414 ) ! I+NO=INO\n LOSS( INO ) = 2.0000D+00 * RXRAT( 398 ) ! INO+INO=I2+0.2000D+01*NO\n & + RXRAT( 423 ) ! INO=I+NO\n\n PROD( INO2 ) = RXRAT( 415 ) ! I+NO2=INO2\n LOSS( INO2 ) = 2.0000D+00 * RXRAT( 399 ) ! INO2+INO2=I2+0.2000D+01*NO2\n & + RXRAT( 412 ) ! INO2=I+NO2\n & + RXRAT( 424 ) ! INO2=I+NO2\n & + RXRAT( 445 ) ! INO2+ACLJ=ICL+HONO\n & + RXRAT( 446 ) ! INO2+ABRJ=IBR+HONO\n\n PROD( INO3 ) = RXRAT( 400 ) ! I2+NO3=INO3+I\n & + RXRAT( 416 ) ! IO+NO2=INO3\n LOSS( INO3 ) = RXRAT( 401 ) ! INO3+I=I2+NO3\n & + RXRAT( 413 ) ! INO3=IO+NO2\n & + RXRAT( 425 ) ! INO3=I+NO3\n & + RXRAT( 443 ) ! INO3+ACLJ=ICL+HNO3\n & + RXRAT( 444 ) ! INO3+ABRJ=IBR+HNO3\n\n PROD( OIO ) = 4.0000D-01 * RXRAT( 408 ) ! IO+IO=0.4000D+00*OIO+...\n & + RXRAT( 410 ) ! I2O2=OIO+I\n & + 2.0000D+00 * RXRAT( 411 ) ! I2O4=0.2000D+01*OIO\n & + RXRAT( 426 ) ! I2O2=OIO+I\n & + RXRAT( 427 ) ! I2O3=OIO+IO\n & + 2.0000D+00 * RXRAT( 428 ) ! I2O4=0.2000D+01*OIO\n LOSS( OIO ) = 2.0000D+00 * RXRAT( 406 ) ! OIO+OIO=I2O4\n & + RXRAT( 407 ) ! OIO+NO=IO+NO2\n & + RXRAT( 409 ) ! OIO+IO=I2O3\n & + RXRAT( 422 ) ! OIO=I\n\n PROD( I2O4 ) = RXRAT( 406 ) ! OIO+OIO=I2O4\n LOSS( I2O4 ) = RXRAT( 411 ) ! I2O4=0.2000D+01*OIO\n & + RXRAT( 428 ) ! I2O4=0.2000D+01*OIO\n & + RXRAT( 441 ) ! I2O4=\n & + RXRAT( 442 ) ! I2O4=\n\n PROD( I2O2 ) = 6.0000D-01 * RXRAT( 408 ) ! IO+IO=0.6000D+00*I2O2+...\n LOSS( I2O2 ) = RXRAT( 410 ) ! I2O2=OIO+I\n & + RXRAT( 426 ) ! I2O2=I+OIO\n & + RXRAT( 436 ) ! I2O2=0.2000D+01*IO\n & + RXRAT( 437 ) ! I2O2=\n & + RXRAT( 438 ) ! I2O2=\n\n PROD( I2O3 ) = RXRAT( 409 ) ! IO+OIO=I2O3\n LOSS( I2O3 ) = RXRAT( 427 ) ! I2O3=IO+OIO\n & + RXRAT( 439 ) ! I2O3=\n & + RXRAT( 440 ) ! I2O3=\n\n PROD( CH3I ) = 0.0D0\n LOSS( CH3I ) = RXRAT( 417 ) ! CH3I+OH=I+FORM\n & + RXRAT( 431 ) ! CH3I=I+MEO2\n\n PROD( ICL ) = RXRAT( 443 ) ! INO3+ACLJ=ICL+HNO3\n & + RXRAT( 445 ) ! INO2+ACLJ=ICL+HONO\n & + RXRAT( 447 ) ! HOI+ACLJ=ICL\n LOSS( ICL ) = RXRAT( 429 ) ! ICL=I+CL\n\n PROD( IBR ) = RXRAT( 444 ) ! INO3+ABRJ=IBR+HNO3\n & + RXRAT( 446 ) ! INO2+ABRJ=IBR+HONO\n & + RXRAT( 448 ) ! HOI+ABRJ=IBR\n LOSS( IBR ) = RXRAT( 430 ) ! IBR=I+BR\n\n PROD( MI2 ) = 0.0D0\n LOSS( MI2 ) = RXRAT( 432 ) ! MI2=0.2000D+01*I+FORM\n\n PROD( MIB ) = 0.0D0\n LOSS( MIB ) = RXRAT( 433 ) ! MIB=I+BR+FORM\n\n PROD( MIC ) = 0.0D0\n LOSS( MIC ) = RXRAT( 434 ) ! MIC=I+CL+FORM\n\n PNEG( PAR ) = 2.5000D+00 * RXRAT( 128 ) ! KET=-0.2500D+01*PAR+...\n & + 2.7000D+00 * RXRAT( 133 ) ! ROR=-0.2700D+01*PAR+...\n & + 7.3000D-01 * RXRAT( 142 ) ! OLE+OH=-0.7300D+00*PAR+...\n & + 7.9000D-01 * RXRAT( 143 ) ! OLE+O3=-0.7900D+00*PAR+...\n & + RXRAT( 144 ) ! OLE+NO3=-PAR+0.5000D+...\n & + 1.2600D-01 * RXRAT( 224 ) ! XPAR=-0.1260D+00*PAR+...\n & + RXRAT( 240 ) ! CL+OLE=-PAR+0.3300D+...\n & + RXRAT( 361 ) ! OLE+BR=-PAR+ALD2+XO2H+FMBR+RO2\n\n RETURN\n\n END\n" }, { "path": "CCTM/src/gas/ebi_cb6r5m_ae7_aq/hrrates.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE HRRATES\n\nC***********************************************************************\nC\nC FUNCTION: To calculate rates of reactions\nC\nC PRECONDITIONS: For the CB6R5M_AE7_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Apr 5, 2022\nC\nC***********************************************************************\n USE HRDATA\n\n IMPLICIT NONE\n\nC.....INCLUDES: NONE\n\n\nC.....ARGUMENTS: NONE\n\n\nC.....PARAMETERS: NONE\n\n\nC.....EXTERNAL FUNCTIONS: NONE\n\n\nC.....SAVED VARIABLES: NONE\n! CHARACTER( 16 ), SAVE :: PNAME = 'HRRATES' ! Program name\n\n\nC.....LOCAL VARIABLES: None\n\nC***********************************************************************\nC..NOTE: RXRAT commented out are not referenced by any routine\n! RXRAT( 1 ) = RKI( 1 ) * YC( NO2 )\n! RXRAT( 2 ) = RKI( 2 ) * YC( O )\n! RXRAT( 3 ) = RKI( 3 ) * YC( O3 ) * YC( NO )\n! RXRAT( 4 ) = RKI( 4 ) * YC( O ) * YC( NO )\n! RXRAT( 5 ) = RKI( 5 ) * YC( O ) * YC( NO2 )\n RXRAT( 6 ) = RKI( 6 ) * YC( O ) * YC( NO2 )\n! RXRAT( 7 ) = RKI( 7 ) * YC( O ) * YC( O3 )\n RXRAT( 8 ) = RKI( 8 ) * YC( O3 )\n RXRAT( 9 ) = RKI( 9 ) * YC( O3 )\n! RXRAT( 10 ) = RKI( 10 ) * YC( O1D )\n! RXRAT( 11 ) = RKI( 11 ) * YC( O1D )\n! RXRAT( 12 ) = RKI( 12 ) * YC( O3 ) * YC( OH )\n! RXRAT( 13 ) = RKI( 13 ) * YC( O3 ) * YC( HO2 )\n! RXRAT( 14 ) = RKI( 14 ) * YC( OH ) * YC( O )\n! RXRAT( 15 ) = RKI( 15 ) * YC( HO2 ) * YC( O )\n RXRAT( 16 ) = RKI( 16 ) * YC( OH ) * YC( OH )\n RXRAT( 17 ) = RKI( 17 ) * YC( OH ) * YC( OH )\n! RXRAT( 18 ) = RKI( 18 ) * YC( OH ) * YC( HO2 )\n RXRAT( 19 ) = RKI( 19 ) * YC( HO2 ) * YC( HO2 )\n RXRAT( 20 ) = RKI( 20 ) * YC( HO2 ) * YC( HO2 )\n RXRAT( 21 ) = RKI( 21 ) * YC( H2O2 )\n RXRAT( 22 ) = RKI( 22 ) * YC( H2O2 ) * YC( OH )\n RXRAT( 23 ) = RKI( 23 ) * YC( H2O2 ) * YC( O )\n! RXRAT( 24 ) = RKI( 24 ) * YC( NO ) * YC( NO )\n! RXRAT( 25 ) = RKI( 25 ) * YC( HO2 ) * YC( NO )\n RXRAT( 26 ) = RKI( 26 ) * YC( NO2 ) * YC( O3 )\n RXRAT( 27 ) = RKI( 27 ) * YC( NO3 )\n RXRAT( 28 ) = RKI( 28 ) * YC( NO3 )\n RXRAT( 29 ) = RKI( 29 ) * YC( NO3 ) * YC( NO )\n RXRAT( 30 ) = RKI( 30 ) * YC( NO3 ) * YC( NO2 )\n RXRAT( 31 ) = RKI( 31 ) * YC( NO3 ) * YC( O )\n RXRAT( 32 ) = RKI( 32 ) * YC( NO3 ) * YC( OH )\n RXRAT( 33 ) = RKI( 33 ) * YC( NO3 ) * YC( HO2 )\n RXRAT( 34 ) = RKI( 34 ) * YC( NO3 ) * YC( O3 )\n RXRAT( 35 ) = RKI( 35 ) * YC( NO3 ) * YC( NO3 )\n! RXRAT( 36 ) = RKI( 36 ) * YC( NO3 ) * YC( NO2 )\n RXRAT( 37 ) = RKI( 37 ) * YC( N2O5 )\n RXRAT( 38 ) = RKI( 38 ) * YC( N2O5 )\n RXRAT( 39 ) = RKI( 39 ) * YC( N2O5 )\n! RXRAT( 40 ) = RKI( 40 ) * YC( NO ) * YC( OH )\n RXRAT( 41 ) = RKI( 41 ) * YC( NO ) * YC( NO2 )\n RXRAT( 42 ) = RKI( 42 ) * YC( HONO ) * YC( HONO )\n RXRAT( 43 ) = RKI( 43 ) * YC( HONO )\n RXRAT( 44 ) = RKI( 44 ) * YC( HONO ) * YC( OH )\n RXRAT( 45 ) = RKI( 45 ) * YC( NO2 ) * YC( OH )\n RXRAT( 46 ) = RKI( 46 ) * YC( HNO3 ) * YC( OH )\n RXRAT( 47 ) = RKI( 47 ) * YC( HNO3 )\n! RXRAT( 48 ) = RKI( 48 ) * YC( HO2 ) * YC( NO2 )\n RXRAT( 49 ) = RKI( 49 ) * YC( PNA )\n RXRAT( 50 ) = RKI( 50 ) * YC( PNA )\n RXRAT( 51 ) = RKI( 51 ) * YC( PNA ) * YC( OH )\n RXRAT( 52 ) = RKI( 52 ) * YC( SO2 ) * YC( OH )\n RXRAT( 53 ) = RKI( 53 ) * YC( C2O3 ) * YC( NO )\n! RXRAT( 54 ) = RKI( 54 ) * YC( C2O3 ) * YC( NO2 )\n RXRAT( 55 ) = RKI( 55 ) * YC( PAN )\n RXRAT( 56 ) = RKI( 56 ) * YC( PAN )\n RXRAT( 57 ) = RKI( 57 ) * YC( C2O3 ) * YC( HO2 )\n RXRAT( 58 ) = RKI( 58 ) * YC( C2O3 ) * YC( RO2 )\n RXRAT( 59 ) = RKI( 59 ) * YC( C2O3 ) * YC( C2O3 )\n RXRAT( 60 ) = RKI( 60 ) * YC( C2O3 ) * YC( CXO3 )\n RXRAT( 61 ) = RKI( 61 ) * YC( CXO3 ) * YC( NO )\n RXRAT( 62 ) = RKI( 62 ) * YC( CXO3 ) * YC( NO2 )\n RXRAT( 63 ) = RKI( 63 ) * YC( PANX )\n RXRAT( 64 ) = RKI( 64 ) * YC( PANX )\n RXRAT( 65 ) = RKI( 65 ) * YC( CXO3 ) * YC( HO2 )\n RXRAT( 66 ) = RKI( 66 ) * YC( CXO3 ) * YC( RO2 )\n RXRAT( 67 ) = RKI( 67 ) * YC( CXO3 ) * YC( CXO3 )\n RXRAT( 68 ) = RKI( 68 ) * YC( RO2 ) * YC( NO )\n RXRAT( 69 ) = RKI( 69 ) * YC( RO2 ) * YC( HO2 )\n RXRAT( 70 ) = RKI( 70 ) * YC( RO2 ) * YC( RO2 )\n RXRAT( 71 ) = RKI( 71 ) * YC( MEO2 ) * YC( NO )\n RXRAT( 72 ) = RKI( 72 ) * YC( MEO2 ) * YC( HO2 )\n RXRAT( 73 ) = RKI( 73 ) * YC( MEO2 ) * YC( C2O3 )\n RXRAT( 74 ) = RKI( 74 ) * YC( MEO2 ) * YC( RO2 )\n RXRAT( 75 ) = RKI( 75 ) * YC( XO2H ) * YC( NO )\n RXRAT( 76 ) = RKI( 76 ) * YC( XO2H ) * YC( HO2 )\n RXRAT( 77 ) = RKI( 77 ) * YC( XO2H ) * YC( C2O3 )\n RXRAT( 78 ) = RKI( 78 ) * YC( XO2H ) * YC( RO2 )\n RXRAT( 79 ) = RKI( 79 ) * YC( XO2 ) * YC( NO )\n RXRAT( 80 ) = RKI( 80 ) * YC( XO2 ) * YC( HO2 )\n RXRAT( 81 ) = RKI( 81 ) * YC( XO2 ) * YC( C2O3 )\n RXRAT( 82 ) = RKI( 82 ) * YC( XO2 ) * YC( RO2 )\n RXRAT( 83 ) = RKI( 83 ) * YC( XO2N ) * YC( NO )\n RXRAT( 84 ) = RKI( 84 ) * YC( XO2N ) * YC( HO2 )\n RXRAT( 85 ) = RKI( 85 ) * YC( XO2N ) * YC( C2O3 )\n RXRAT( 86 ) = RKI( 86 ) * YC( XO2N ) * YC( RO2 )\n RXRAT( 87 ) = RKI( 87 ) * YC( MEPX ) * YC( OH )\n RXRAT( 88 ) = RKI( 88 ) * YC( MEPX )\n RXRAT( 89 ) = RKI( 89 ) * YC( ROOH ) * YC( OH )\n RXRAT( 90 ) = RKI( 90 ) * YC( ROOH )\n RXRAT( 91 ) = RKI( 91 ) * YC( NTR1 ) * YC( OH )\n RXRAT( 92 ) = RKI( 92 ) * YC( NTR1 )\n RXRAT( 93 ) = RKI( 93 ) * YC( FACD ) * YC( OH )\n RXRAT( 94 ) = RKI( 94 ) * YC( AACD ) * YC( OH )\n RXRAT( 95 ) = RKI( 95 ) * YC( PACD ) * YC( OH )\n RXRAT( 96 ) = RKI( 96 ) * YC( FORM ) * YC( OH )\n RXRAT( 97 ) = RKI( 97 ) * YC( FORM )\n RXRAT( 98 ) = RKI( 98 ) * YC( FORM )\n RXRAT( 99 ) = RKI( 99 ) * YC( FORM ) * YC( O )\n RXRAT( 100 ) = RKI( 100 ) * YC( FORM ) * YC( NO3 )\n RXRAT( 101 ) = RKI( 101 ) * YC( FORM ) * YC( HO2 )\n RXRAT( 102 ) = RKI( 102 ) * YC( HCO3 )\n RXRAT( 103 ) = RKI( 103 ) * YC( HCO3 ) * YC( NO )\n RXRAT( 104 ) = RKI( 104 ) * YC( HCO3 ) * YC( HO2 )\n RXRAT( 105 ) = RKI( 105 ) * YC( ALD2 ) * YC( O )\n RXRAT( 106 ) = RKI( 106 ) * YC( ALD2 ) * YC( OH )\n RXRAT( 107 ) = RKI( 107 ) * YC( ALD2 ) * YC( NO3 )\n RXRAT( 108 ) = RKI( 108 ) * YC( ALD2 )\n RXRAT( 109 ) = RKI( 109 ) * YC( ALDX ) * YC( O )\n RXRAT( 110 ) = RKI( 110 ) * YC( ALDX ) * YC( OH )\n RXRAT( 111 ) = RKI( 111 ) * YC( ALDX ) * YC( NO3 )\n RXRAT( 112 ) = RKI( 112 ) * YC( ALDX )\n RXRAT( 113 ) = RKI( 113 ) * YC( GLYD ) * YC( OH )\n RXRAT( 114 ) = RKI( 114 ) * YC( GLYD )\n RXRAT( 115 ) = RKI( 115 ) * YC( GLYD ) * YC( NO3 )\n RXRAT( 116 ) = RKI( 116 ) * YC( GLY ) * YC( OH )\n RXRAT( 117 ) = RKI( 117 ) * YC( GLY )\n RXRAT( 118 ) = RKI( 118 ) * YC( GLY ) * YC( NO3 )\n RXRAT( 119 ) = RKI( 119 ) * YC( MGLY )\n RXRAT( 120 ) = RKI( 120 ) * YC( MGLY ) * YC( NO3 )\n RXRAT( 121 ) = RKI( 121 ) * YC( MGLY ) * YC( OH )\n! RXRAT( 122 ) = RKI( 122 ) * YC( OH )\n RXRAT( 123 ) = RKI( 123 ) * YC( CO ) * YC( OH )\n RXRAT( 124 ) = RKI( 124 ) * YC( OH )\n RXRAT( 125 ) = RKI( 125 ) * YC( ETHA ) * YC( OH )\n RXRAT( 126 ) = RKI( 126 ) * YC( MEOH ) * YC( OH )\n RXRAT( 127 ) = RKI( 127 ) * YC( ETOH ) * YC( OH )\n RXRAT( 128 ) = RKI( 128 ) * YC( KET )\n RXRAT( 129 ) = RKI( 129 ) * YC( ACET )\n RXRAT( 130 ) = RKI( 130 ) * YC( ACET ) * YC( OH )\n RXRAT( 131 ) = RKI( 131 ) * YC( PRPA ) * YC( OH )\n RXRAT( 132 ) = RKI( 132 ) * YC( PAR ) * YC( OH )\n RXRAT( 133 ) = RKI( 133 ) * YC( ROR )\n RXRAT( 134 ) = RKI( 134 ) * YC( ROR )\n RXRAT( 135 ) = RKI( 135 ) * YC( ROR ) * YC( NO2 )\n RXRAT( 136 ) = RKI( 136 ) * YC( ETHY ) * YC( OH )\n RXRAT( 137 ) = RKI( 137 ) * YC( ETH ) * YC( O )\n RXRAT( 138 ) = RKI( 138 ) * YC( ETH ) * YC( OH )\n RXRAT( 139 ) = RKI( 139 ) * YC( ETH ) * YC( O3 )\n RXRAT( 140 ) = RKI( 140 ) * YC( ETH ) * YC( NO3 )\n RXRAT( 141 ) = RKI( 141 ) * YC( OLE ) * YC( O )\n RXRAT( 142 ) = RKI( 142 ) * YC( OLE ) * YC( OH )\n RXRAT( 143 ) = RKI( 143 ) * YC( OLE ) * YC( O3 )\n RXRAT( 144 ) = RKI( 144 ) * YC( OLE ) * YC( NO3 )\n RXRAT( 145 ) = RKI( 145 ) * YC( IOLE ) * YC( O )\n RXRAT( 146 ) = RKI( 146 ) * YC( IOLE ) * YC( OH )\n RXRAT( 147 ) = RKI( 147 ) * YC( IOLE ) * YC( O3 )\n RXRAT( 148 ) = RKI( 148 ) * YC( IOLE ) * YC( NO3 )\n RXRAT( 149 ) = RKI( 149 ) * YC( ISOP ) * YC( OH )\n RXRAT( 150 ) = RKI( 150 ) * YC( ISOP ) * YC( O )\n RXRAT( 151 ) = RKI( 151 ) * YC( ISO2 ) * YC( NO )\n RXRAT( 152 ) = RKI( 152 ) * YC( ISO2 ) * YC( HO2 )\n RXRAT( 153 ) = RKI( 153 ) * YC( ISO2 ) * YC( C2O3 )\n RXRAT( 154 ) = RKI( 154 ) * YC( ISO2 ) * YC( RO2 )\n RXRAT( 155 ) = RKI( 155 ) * YC( ISO2 )\n RXRAT( 156 ) = RKI( 156 ) * YC( ISOP ) * YC( O3 )\n RXRAT( 157 ) = RKI( 157 ) * YC( ISOP ) * YC( NO3 )\n RXRAT( 158 ) = RKI( 158 ) * YC( ISPD ) * YC( OH )\n RXRAT( 159 ) = RKI( 159 ) * YC( ISPD ) * YC( O3 )\n RXRAT( 160 ) = RKI( 160 ) * YC( ISPD ) * YC( NO3 )\n RXRAT( 161 ) = RKI( 161 ) * YC( ISPD )\n RXRAT( 162 ) = RKI( 162 ) * YC( ISPX ) * YC( OH )\n RXRAT( 163 ) = RKI( 163 ) * YC( HPLD )\n RXRAT( 164 ) = RKI( 164 ) * YC( HPLD ) * YC( NO3 )\n RXRAT( 165 ) = RKI( 165 ) * YC( EPOX ) * YC( OH )\n RXRAT( 166 ) = RKI( 166 ) * YC( EPX2 ) * YC( HO2 )\n RXRAT( 167 ) = RKI( 167 ) * YC( EPX2 ) * YC( NO )\n RXRAT( 168 ) = RKI( 168 ) * YC( EPX2 ) * YC( C2O3 )\n RXRAT( 169 ) = RKI( 169 ) * YC( EPX2 ) * YC( RO2 )\n RXRAT( 170 ) = RKI( 170 ) * YC( INTR ) * YC( OH )\n RXRAT( 171 ) = RKI( 171 ) * YC( TERP ) * YC( O )\n RXRAT( 172 ) = RKI( 172 ) * YC( TERP ) * YC( OH )\n RXRAT( 173 ) = RKI( 173 ) * YC( TERP ) * YC( O3 )\n RXRAT( 174 ) = RKI( 174 ) * YC( TERP ) * YC( NO3 )\n RXRAT( 175 ) = RKI( 175 ) * YC( APIN ) * YC( O )\n RXRAT( 176 ) = RKI( 176 ) * YC( APIN ) * YC( OH )\n RXRAT( 177 ) = RKI( 177 ) * YC( APIN ) * YC( O3 )\n RXRAT( 178 ) = RKI( 178 ) * YC( APIN ) * YC( NO3 )\n RXRAT( 179 ) = RKI( 179 ) * YC( BENZENE ) * YC( OH )\n RXRAT( 180 ) = RKI( 180 ) * YC( BZO2 ) * YC( NO )\n RXRAT( 181 ) = RKI( 181 ) * YC( BZO2 ) * YC( C2O3 )\n RXRAT( 182 ) = RKI( 182 ) * YC( BZO2 ) * YC( HO2 )\n RXRAT( 183 ) = RKI( 183 ) * YC( BZO2 ) * YC( RO2 )\n RXRAT( 184 ) = RKI( 184 ) * YC( TOL ) * YC( OH )\n RXRAT( 185 ) = RKI( 185 ) * YC( TO2 ) * YC( NO )\n RXRAT( 186 ) = RKI( 186 ) * YC( TO2 ) * YC( C2O3 )\n RXRAT( 187 ) = RKI( 187 ) * YC( TO2 ) * YC( HO2 )\n RXRAT( 188 ) = RKI( 188 ) * YC( TO2 ) * YC( RO2 )\n RXRAT( 189 ) = RKI( 189 ) * YC( XYLMN ) * YC( OH )\n RXRAT( 190 ) = RKI( 190 ) * YC( NAPH ) * YC( OH )\n RXRAT( 191 ) = RKI( 191 ) * YC( XLO2 ) * YC( NO )\n RXRAT( 192 ) = RKI( 192 ) * YC( XLO2 ) * YC( HO2 )\n RXRAT( 193 ) = RKI( 193 ) * YC( XLO2 ) * YC( C2O3 )\n RXRAT( 194 ) = RKI( 194 ) * YC( XLO2 ) * YC( RO2 )\n RXRAT( 195 ) = RKI( 195 ) * YC( CRES ) * YC( OH )\n RXRAT( 196 ) = RKI( 196 ) * YC( CRES ) * YC( NO3 )\n RXRAT( 197 ) = RKI( 197 ) * YC( CRO ) * YC( NO2 )\n RXRAT( 198 ) = RKI( 198 ) * YC( CRO ) * YC( HO2 )\n RXRAT( 199 ) = RKI( 199 ) * YC( CRON ) * YC( OH )\n RXRAT( 200 ) = RKI( 200 ) * YC( CRON ) * YC( NO3 )\n RXRAT( 201 ) = RKI( 201 ) * YC( CRON )\n RXRAT( 202 ) = RKI( 202 ) * YC( XOPN )\n RXRAT( 203 ) = RKI( 203 ) * YC( XOPN ) * YC( OH )\n RXRAT( 204 ) = RKI( 204 ) * YC( XOPN ) * YC( O3 )\n RXRAT( 205 ) = RKI( 205 ) * YC( XOPN ) * YC( NO3 )\n RXRAT( 206 ) = RKI( 206 ) * YC( OPEN )\n RXRAT( 207 ) = RKI( 207 ) * YC( OPEN ) * YC( OH )\n RXRAT( 208 ) = RKI( 208 ) * YC( OPEN ) * YC( O3 )\n RXRAT( 209 ) = RKI( 209 ) * YC( OPEN ) * YC( NO3 )\n RXRAT( 210 ) = RKI( 210 ) * YC( CAT1 ) * YC( OH )\n RXRAT( 211 ) = RKI( 211 ) * YC( CAT1 ) * YC( NO3 )\n RXRAT( 212 ) = RKI( 212 ) * YC( OPO3 ) * YC( NO )\n RXRAT( 213 ) = RKI( 213 ) * YC( OPO3 ) * YC( NO2 )\n RXRAT( 214 ) = RKI( 214 ) * YC( OPAN )\n RXRAT( 215 ) = RKI( 215 ) * YC( OPO3 ) * YC( HO2 )\n RXRAT( 216 ) = RKI( 216 ) * YC( OPO3 ) * YC( C2O3 )\n RXRAT( 217 ) = RKI( 217 ) * YC( OPO3 ) * YC( RO2 )\n RXRAT( 218 ) = RKI( 218 ) * YC( OPAN ) * YC( OH )\n RXRAT( 219 ) = RKI( 219 ) * YC( PANX ) * YC( OH )\n RXRAT( 220 ) = RKI( 220 ) * YC( ECH4 ) * YC( OH )\n RXRAT( 221 ) = RKI( 221 ) * YC( XPRP )\n RXRAT( 222 ) = RKI( 222 ) * YC( XPRP )\n RXRAT( 223 ) = RKI( 223 ) * YC( XPAR )\n RXRAT( 224 ) = RKI( 224 ) * YC( XPAR )\n RXRAT( 225 ) = RKI( 225 ) * YC( NO2 ) * YC( OH )\n RXRAT( 226 ) = RKI( 226 ) * YC( CL2 )\n RXRAT( 227 ) = RKI( 227 ) * YC( HOCL )\n RXRAT( 228 ) = RKI( 228 ) * YC( CL ) * YC( O3 )\n RXRAT( 229 ) = RKI( 229 ) * YC( CLO ) * YC( CLO )\n RXRAT( 230 ) = RKI( 230 ) * YC( CLO ) * YC( NO )\n RXRAT( 231 ) = RKI( 231 ) * YC( CLO ) * YC( HO2 )\n RXRAT( 232 ) = RKI( 232 ) * YC( CLO ) * YC( MEO2 )\n RXRAT( 233 ) = RKI( 233 ) * YC( OH ) * YC( FMCL )\n RXRAT( 234 ) = RKI( 234 ) * YC( FMCL )\n RXRAT( 235 ) = RKI( 235 ) * YC( CL )\n RXRAT( 236 ) = RKI( 236 ) * YC( CL ) * YC( PAR )\n RXRAT( 237 ) = RKI( 237 ) * YC( CL ) * YC( PRPA )\n RXRAT( 238 ) = RKI( 238 ) * YC( CL ) * YC( ETHA )\n RXRAT( 239 ) = RKI( 239 ) * YC( CL ) * YC( ETH )\n RXRAT( 240 ) = RKI( 240 ) * YC( CL ) * YC( OLE )\n RXRAT( 241 ) = RKI( 241 ) * YC( CL ) * YC( IOLE )\n RXRAT( 242 ) = RKI( 242 ) * YC( CL ) * YC( ISOP )\n RXRAT( 243 ) = RKI( 243 ) * YC( CL ) * YC( FORM )\n RXRAT( 244 ) = RKI( 244 ) * YC( CL ) * YC( ALD2 )\n RXRAT( 245 ) = RKI( 245 ) * YC( CL ) * YC( ALDX )\n RXRAT( 246 ) = RKI( 246 ) * YC( CL ) * YC( MEOH )\n RXRAT( 247 ) = RKI( 247 ) * YC( CL ) * YC( ETOH )\n RXRAT( 248 ) = RKI( 248 ) * YC( HCL ) * YC( OH )\n RXRAT( 249 ) = RKI( 249 ) * YC( CL ) * YC( TOL )\n RXRAT( 250 ) = RKI( 250 ) * YC( CL ) * YC( XYLMN )\n RXRAT( 251 ) = RKI( 251 ) * YC( CL ) * YC( NAPH )\n RXRAT( 252 ) = RKI( 252 ) * YC( CLNO2 )\n RXRAT( 253 ) = RKI( 253 ) * YC( CLO ) * YC( NO2 )\n RXRAT( 254 ) = RKI( 254 ) * YC( CLNO3 )\n RXRAT( 255 ) = RKI( 255 ) * YC( CLNO3 )\n RXRAT( 256 ) = RKI( 256 ) * YC( CLNO3 )\n RXRAT( 257 ) = RKI( 257 ) * YC( CLNO3 )\n RXRAT( 258 ) = RKI( 258 ) * YC( TOLRO2 ) * YC( NO )\n RXRAT( 259 ) = RKI( 259 ) * YC( TOLRO2 ) * YC( HO2 )\n RXRAT( 260 ) = RKI( 260 ) * YC( XYLRO2 ) * YC( NO )\n RXRAT( 261 ) = RKI( 261 ) * YC( XYLRO2 ) * YC( HO2 )\n RXRAT( 262 ) = RKI( 262 ) * YC( BENZRO2 ) * YC( NO )\n RXRAT( 263 ) = RKI( 263 ) * YC( BENZRO2 ) * YC( HO2 )\n RXRAT( 264 ) = RKI( 264 ) * YC( SESQ ) * YC( O3 )\n RXRAT( 265 ) = RKI( 265 ) * YC( SESQ ) * YC( OH )\n RXRAT( 266 ) = RKI( 266 ) * YC( SESQ ) * YC( NO3 )\n RXRAT( 267 ) = RKI( 267 ) * YC( PAHRO2 ) * YC( NO )\n RXRAT( 268 ) = RKI( 268 ) * YC( PAHRO2 ) * YC( HO2 )\n RXRAT( 269 ) = RKI( 269 ) * YC( SOAALK ) * YC( OH )\n RXRAT( 270 ) = RKI( 270 ) * YC( NTR2 )\n RXRAT( 271 ) = RKI( 271 ) * YC( N2O5 )\n RXRAT( 272 ) = RKI( 272 ) * YC( N2O5 )\n RXRAT( 273 ) = RKI( 273 ) * YC( H2NO3PIJ )\n RXRAT( 274 ) = RKI( 274 ) * YC( H2NO3PK )\n RXRAT( 275 ) = RKI( 275 ) * YC( H2NO3PIJ ) * YC( ACLI )\n RXRAT( 276 ) = RKI( 276 ) * YC( H2NO3PIJ ) * YC( ACLJ )\n RXRAT( 277 ) = RKI( 277 ) * YC( H2NO3PK ) * YC( ACLK )\n RXRAT( 278 ) = RKI( 278 ) * YC( NO2 )\n RXRAT( 279 ) = RKI( 279 ) * YC( EPOX )\n RXRAT( 280 ) = RKI( 280 ) * YC( IEPOXP ) * YC( ASO4J )\n RXRAT( 281 ) = RKI( 281 ) * YC( IEPOXP )\n RXRAT( 282 ) = RKI( 282 ) * YC( GLY )\n RXRAT( 283 ) = RKI( 283 ) * YC( MGLY )\n RXRAT( 284 ) = RKI( 284 ) * YC( TERPNRO2 ) * YC( NO )\n RXRAT( 285 ) = RKI( 285 ) * YC( TERPNRO2 ) * YC( HO2 )\n RXRAT( 286 ) = RKI( 286 ) * YC( TERPNRO2 ) * YC( NO3 )\n RXRAT( 287 ) = RKI( 287 ) * YC( TERPNRO2 ) * YC( RO2 )\n RXRAT( 288 ) = RKI( 288 ) * YC( MTNO3 ) * YC( CL )\n RXRAT( 289 ) = RKI( 289 ) * YC( MTNO3 ) * YC( OH )\n RXRAT( 290 ) = RKI( 290 ) * YC( MTNO3 )\n RXRAT( 291 ) = RKI( 291 ) * YC( AMTNO3J )\n RXRAT( 292 ) = RKI( 292 ) * YC( AAVB2J )\n RXRAT( 293 ) = RKI( 293 ) * YC( AAVB3J )\n RXRAT( 294 ) = RKI( 294 ) * YC( AAVB4J )\n RXRAT( 295 ) = RKI( 295 ) * YC( AISO1J )\n RXRAT( 296 ) = RKI( 296 ) * YC( AISO2J )\n RXRAT( 297 ) = RKI( 297 ) * YC( ASQTJ )\n RXRAT( 298 ) = RKI( 298 ) * YC( APOCI ) * YC( OH )\n RXRAT( 299 ) = RKI( 299 ) * YC( APNCOMI ) * YC( OH )\n RXRAT( 300 ) = RKI( 300 ) * YC( APOCJ ) * YC( OH )\n RXRAT( 301 ) = RKI( 301 ) * YC( APNCOMJ ) * YC( OH )\n RXRAT( 302 ) = RKI( 302 ) * YC( PCVOC ) * YC( OH )\n RXRAT( 303 ) = RKI( 303 ) * YC( VLVPO1 ) * YC( OH )\n RXRAT( 304 ) = RKI( 304 ) * YC( VSVPO1 ) * YC( OH )\n RXRAT( 305 ) = RKI( 305 ) * YC( VSVPO2 ) * YC( OH )\n RXRAT( 306 ) = RKI( 306 ) * YC( VSVPO3 ) * YC( OH )\n RXRAT( 307 ) = RKI( 307 ) * YC( VIVPO1 ) * YC( OH )\n RXRAT( 308 ) = RKI( 308 ) * YC( VLVOO1 ) * YC( OH )\n RXRAT( 309 ) = RKI( 309 ) * YC( VLVOO2 ) * YC( OH )\n RXRAT( 310 ) = RKI( 310 ) * YC( VSVOO1 ) * YC( OH )\n RXRAT( 311 ) = RKI( 311 ) * YC( VSVOO2 ) * YC( OH )\n RXRAT( 312 ) = RKI( 312 ) * YC( VSVOO3 ) * YC( OH )\n RXRAT( 313 ) = RKI( 313 ) * YC( FORM_PRIMARY ) * YC( OH )\n RXRAT( 314 ) = RKI( 314 ) * YC( FORM_PRIMARY ) * YC( NO3 )\n RXRAT( 315 ) = RKI( 315 ) * YC( FORM_PRIMARY ) * YC( O )\n RXRAT( 316 ) = RKI( 316 ) * YC( FORM_PRIMARY )\n RXRAT( 317 ) = RKI( 317 ) * YC( FORM_PRIMARY )\n RXRAT( 318 ) = RKI( 318 ) * YC( FORM_PRIMARY ) * YC( CL )\n RXRAT( 319 ) = RKI( 319 ) * YC( ALD2_PRIMARY ) * YC( OH )\n RXRAT( 320 ) = RKI( 320 ) * YC( ALD2_PRIMARY ) * YC( NO3 )\n RXRAT( 321 ) = RKI( 321 ) * YC( ALD2_PRIMARY ) * YC( O )\n RXRAT( 322 ) = RKI( 322 ) * YC( ALD2_PRIMARY )\n RXRAT( 323 ) = RKI( 323 ) * YC( ALD2_PRIMARY ) * YC( CL )\n RXRAT( 324 ) = RKI( 324 ) * YC( BUTADIENE13 ) * YC( OH )\n RXRAT( 325 ) = RKI( 325 ) * YC( BUTADIENE13 ) * YC( O3 )\n RXRAT( 326 ) = RKI( 326 ) * YC( BUTADIENE13 ) * YC( NO3 )\n RXRAT( 327 ) = RKI( 327 ) * YC( BUTADIENE13 ) * YC( CL )\n RXRAT( 328 ) = RKI( 328 ) * YC( ACRO_PRIMARY ) * YC( OH )\n RXRAT( 329 ) = RKI( 329 ) * YC( ACRO_PRIMARY ) * YC( O3 )\n RXRAT( 330 ) = RKI( 330 ) * YC( ACRO_PRIMARY ) * YC( NO3 )\n RXRAT( 331 ) = RKI( 331 ) * YC( ACRO_PRIMARY )\n RXRAT( 332 ) = RKI( 332 ) * YC( ACRO_PRIMARY ) * YC( CL )\n RXRAT( 333 ) = RKI( 333 ) * YC( ACROLEIN ) * YC( OH )\n RXRAT( 334 ) = RKI( 334 ) * YC( ACROLEIN ) * YC( O3 )\n RXRAT( 335 ) = RKI( 335 ) * YC( ACROLEIN ) * YC( NO3 )\n RXRAT( 336 ) = RKI( 336 ) * YC( ACROLEIN )\n RXRAT( 337 ) = RKI( 337 ) * YC( ACROLEIN ) * YC( CL )\n RXRAT( 338 ) = RKI( 338 ) * YC( TOLU ) * YC( OH )\n RXRAT( 339 ) = RKI( 339 ) * YC( TOLU ) * YC( CL )\n RXRAT( 340 ) = RKI( 340 ) * YC( HG ) * YC( O3 )\n RXRAT( 341 ) = RKI( 341 ) * YC( HG ) * YC( CL2 )\n RXRAT( 342 ) = RKI( 342 ) * YC( HG ) * YC( H2O2 )\n RXRAT( 343 ) = RKI( 343 ) * YC( HG ) * YC( OH )\n RXRAT( 344 ) = RKI( 344 ) * YC( HG ) * YC( CL )\n RXRAT( 345 ) = RKI( 345 ) * YC( BR ) * YC( O3 )\n RXRAT( 346 ) = RKI( 346 ) * YC( BRO ) * YC( HO2 )\n RXRAT( 347 ) = RKI( 347 ) * YC( BR ) * YC( HO2 )\n RXRAT( 348 ) = RKI( 348 ) * YC( HBR ) * YC( OH )\n RXRAT( 349 ) = RKI( 349 ) * YC( BRO ) * YC( BRO )\n RXRAT( 350 ) = RKI( 350 ) * YC( BRO ) * YC( BRO )\n RXRAT( 351 ) = RKI( 351 ) * YC( BRO ) * YC( NO )\n RXRAT( 352 ) = RKI( 352 ) * YC( BR ) * YC( BRNO3 )\n RXRAT( 353 ) = RKI( 353 ) * YC( BR2 ) * YC( OH )\n RXRAT( 354 ) = RKI( 354 ) * YC( BRO ) * YC( OH )\n RXRAT( 355 ) = RKI( 355 ) * YC( BR ) * YC( NO3 )\n RXRAT( 356 ) = RKI( 356 ) * YC( BRO ) * YC( NO2 )\n RXRAT( 357 ) = RKI( 357 ) * YC( BR ) * YC( NO2 )\n RXRAT( 358 ) = RKI( 358 ) * YC( BRO ) * YC( CLO )\n RXRAT( 359 ) = RKI( 359 ) * YC( FORM ) * YC( BR )\n RXRAT( 360 ) = RKI( 360 ) * YC( ALD2 ) * YC( BR )\n RXRAT( 361 ) = RKI( 361 ) * YC( OLE ) * YC( BR )\n RXRAT( 362 ) = RKI( 362 ) * YC( ISOP ) * YC( BR )\n RXRAT( 363 ) = RKI( 363 ) * YC( FMBR ) * YC( OH )\n RXRAT( 364 ) = RKI( 364 ) * YC( BRO ) * YC( MEO2 )\n RXRAT( 365 ) = RKI( 365 ) * YC( MB3 ) * YC( OH )\n RXRAT( 366 ) = RKI( 366 ) * YC( MB2 ) * YC( OH )\n RXRAT( 367 ) = RKI( 367 ) * YC( MB2C ) * YC( OH )\n RXRAT( 368 ) = RKI( 368 ) * YC( MBC2 ) * YC( OH )\n RXRAT( 369 ) = RKI( 369 ) * YC( MBC ) * YC( OH )\n RXRAT( 370 ) = RKI( 370 ) * YC( DMS ) * YC( BRO )\n RXRAT( 371 ) = RKI( 371 ) * YC( BR2 )\n RXRAT( 372 ) = RKI( 372 ) * YC( HOBR )\n RXRAT( 373 ) = RKI( 373 ) * YC( BRO )\n RXRAT( 374 ) = RKI( 374 ) * YC( BRNO2 )\n RXRAT( 375 ) = RKI( 375 ) * YC( BRNO3 )\n RXRAT( 376 ) = RKI( 376 ) * YC( BRNO3 )\n RXRAT( 377 ) = RKI( 377 ) * YC( BRCL )\n RXRAT( 378 ) = RKI( 378 ) * YC( FMBR )\n RXRAT( 379 ) = RKI( 379 ) * YC( MB3 )\n RXRAT( 380 ) = RKI( 380 ) * YC( MB2C )\n RXRAT( 381 ) = RKI( 381 ) * YC( MBC2 )\n RXRAT( 382 ) = RKI( 382 ) * YC( BRNO3 )\n RXRAT( 383 ) = RKI( 383 ) * YC( BRNO3 )\n RXRAT( 384 ) = RKI( 384 ) * YC( HOBR ) * YC( ACLJ )\n RXRAT( 385 ) = RKI( 385 ) * YC( HOBR ) * YC( ABRJ )\n RXRAT( 386 ) = RKI( 386 ) * YC( BRNO3 ) * YC( ACLJ )\n RXRAT( 387 ) = RKI( 387 ) * YC( BRNO3 ) * YC( ABRJ )\n RXRAT( 388 ) = RKI( 388 ) * YC( BRNO2 ) * YC( ACLJ )\n RXRAT( 389 ) = RKI( 389 ) * YC( BRNO2 ) * YC( ABRJ )\n RXRAT( 390 ) = RKI( 390 ) * YC( HBR )\n RXRAT( 391 ) = RKI( 391 ) * YC( I ) * YC( O3 )\n RXRAT( 392 ) = RKI( 392 ) * YC( I ) * YC( HO2 )\n RXRAT( 393 ) = RKI( 393 ) * YC( I2 ) * YC( OH )\n RXRAT( 394 ) = RKI( 394 ) * YC( HI ) * YC( OH )\n RXRAT( 395 ) = RKI( 395 ) * YC( HOI ) * YC( OH )\n RXRAT( 396 ) = RKI( 396 ) * YC( IO ) * YC( HO2 )\n RXRAT( 397 ) = RKI( 397 ) * YC( IO ) * YC( NO )\n RXRAT( 398 ) = RKI( 398 ) * YC( INO ) * YC( INO )\n RXRAT( 399 ) = RKI( 399 ) * YC( INO2 ) * YC( INO2 )\n RXRAT( 400 ) = RKI( 400 ) * YC( I2 ) * YC( NO3 )\n RXRAT( 401 ) = RKI( 401 ) * YC( INO3 ) * YC( I )\n RXRAT( 402 ) = RKI( 402 ) * YC( I ) * YC( BRO )\n RXRAT( 403 ) = RKI( 403 ) * YC( IO ) * YC( BR )\n RXRAT( 404 ) = RKI( 404 ) * YC( IO ) * YC( BRO )\n RXRAT( 405 ) = RKI( 405 ) * YC( IO ) * YC( CLO )\n RXRAT( 406 ) = RKI( 406 ) * YC( OIO ) * YC( OIO )\n RXRAT( 407 ) = RKI( 407 ) * YC( OIO ) * YC( NO )\n RXRAT( 408 ) = RKI( 408 ) * YC( IO ) * YC( IO )\n RXRAT( 409 ) = RKI( 409 ) * YC( IO ) * YC( OIO )\n RXRAT( 410 ) = RKI( 410 ) * YC( I2O2 )\n RXRAT( 411 ) = RKI( 411 ) * YC( I2O4 )\n RXRAT( 412 ) = RKI( 412 ) * YC( INO2 )\n RXRAT( 413 ) = RKI( 413 ) * YC( INO3 )\n RXRAT( 414 ) = RKI( 414 ) * YC( I ) * YC( NO )\n RXRAT( 415 ) = RKI( 415 ) * YC( I ) * YC( NO2 )\n RXRAT( 416 ) = RKI( 416 ) * YC( IO ) * YC( NO2 )\n RXRAT( 417 ) = RKI( 417 ) * YC( CH3I ) * YC( OH )\n RXRAT( 418 ) = RKI( 418 ) * YC( DMS ) * YC( IO )\n RXRAT( 419 ) = RKI( 419 ) * YC( I2 )\n RXRAT( 420 ) = RKI( 420 ) * YC( HOI )\n RXRAT( 421 ) = RKI( 421 ) * YC( IO )\n RXRAT( 422 ) = RKI( 422 ) * YC( OIO )\n RXRAT( 423 ) = RKI( 423 ) * YC( INO )\n RXRAT( 424 ) = RKI( 424 ) * YC( INO2 )\n RXRAT( 425 ) = RKI( 425 ) * YC( INO3 )\n RXRAT( 426 ) = RKI( 426 ) * YC( I2O2 )\n RXRAT( 427 ) = RKI( 427 ) * YC( I2O3 )\n RXRAT( 428 ) = RKI( 428 ) * YC( I2O4 )\n RXRAT( 429 ) = RKI( 429 ) * YC( ICL )\n RXRAT( 430 ) = RKI( 430 ) * YC( IBR )\n RXRAT( 431 ) = RKI( 431 ) * YC( CH3I )\n RXRAT( 432 ) = RKI( 432 ) * YC( MI2 )\n RXRAT( 433 ) = RKI( 433 ) * YC( MIB )\n RXRAT( 434 ) = RKI( 434 ) * YC( MIC )\n RXRAT( 435 ) = RKI( 435 ) * YC( HOI ) * YC( NO3 )\n RXRAT( 436 ) = RKI( 436 ) * YC( I2O2 )\n RXRAT( 437 ) = RKI( 437 ) * YC( I2O2 )\n RXRAT( 438 ) = RKI( 438 ) * YC( I2O2 )\n RXRAT( 439 ) = RKI( 439 ) * YC( I2O3 )\n RXRAT( 440 ) = RKI( 440 ) * YC( I2O3 )\n RXRAT( 441 ) = RKI( 441 ) * YC( I2O4 )\n RXRAT( 442 ) = RKI( 442 ) * YC( I2O4 )\n RXRAT( 443 ) = RKI( 443 ) * YC( INO3 ) * YC( ACLJ )\n RXRAT( 444 ) = RKI( 444 ) * YC( INO3 ) * YC( ABRJ )\n RXRAT( 445 ) = RKI( 445 ) * YC( INO2 ) * YC( ACLJ )\n RXRAT( 446 ) = RKI( 446 ) * YC( INO2 ) * YC( ABRJ )\n RXRAT( 447 ) = RKI( 447 ) * YC( HOI ) * YC( ACLJ )\n RXRAT( 448 ) = RKI( 448 ) * YC( HOI ) * YC( ABRJ )\n RXRAT( 449 ) = RKI( 449 ) * YC( DMS ) * YC( OH )\n RXRAT( 450 ) = RKI( 450 ) * YC( DMS ) * YC( OH )\n RXRAT( 451 ) = RKI( 451 ) * YC( DMS ) * YC( NO3 )\n RXRAT( 452 ) = RKI( 452 ) * YC( DMS ) * YC( CL )\n RXRAT( 453 ) = RKI( 453 ) * YC( DMS ) * YC( CLO )\n\n\n RETURN\n\n END\n" }, { "path": "CCTM/src/gas/ebi_cb6r5m_ae7_aq/hrsolver.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\n SUBROUTINE HRSOLVER( JDATE, JTIME, C, R, L )\n\n\nC**********************************************************************\nC\nC FUNCTION: EBI solver\nC\nC PRECONDITIONS: For the CB6R5M_AE7_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: HRRATES, HRG1, HRG2, HRG3\nC HRG4, HRPRODLOSS\nC DEGRADE\nC\nC REVISION HISTORY: Created by EBI solver program, Apr 5, 2022\nC 21 Jun 10 J.Young: convert for Namelist redesign\nC 18 Jul 14 B.Hutzell: revised 1) to use the RXNS_DATA and RXNS_FUNCTION\nC modules instead of include files and 2) to use\nC real(8) variables\nC**********************************************************************\n\n USE RUNTIME_VARS\n USE UTILIO_DEFN\n USE RXNS_DATA\n USE HRDATA\n USE PA_IRR_MODULE\n#ifdef isam\n USE SA_IRR_DEFN\n#endif\n#ifdef sens\n USE DDM3D_CHEM, ONLY: YCDDM\n USE CGRID_SPCS, ONLY: GC_SPC\n#endif\n USE DEGRADE_ROUTINES, ONLY : DEGRADE, SA_DEGRADE_STEP\n\n\n IMPLICIT NONE\n\nC..INCLUDES:\n\n\nC..ARGUMENTS:\n INTEGER, INTENT( IN ) :: JDATE ! Current date (YYYYDDD)\n INTEGER, INTENT( IN ) :: JTIME ! Current time (HHMMSS)\n INTEGER, INTENT( IN ) :: C, R, L ! Cell col, row, lev\n\nC..PARAMETERS:\n INTEGER, PARAMETER :: MXBKUPS = 5 ! Max no. of back-ups allowed\n INTEGER, PARAMETER :: STAT = 1 ! Status code\n\n REAL( 8 ), PARAMETER :: DTMIN = 1.0D-08 ! Smallest time step allowed, min\n REAL( 8 ), PARAMETER :: EPSLON = 1.0D-30 ! Small number\n REAL( 8 ), PARAMETER :: MAXPRED = 1.0D+03 ! Upper limit on predicted conc\n REAL( 8 ), PARAMETER :: ZERO = 1.0D-40 ! effective zero\n REAL( 8 ), PARAMETER :: FLOOR = 1.0D-08 ! Min conc for RTOL\n\nC..EXTERNAL FUNCTIONS:\n\n\nC..SAVED LOCAL VARIABLES:\n CHARACTER( 16 ), SAVE :: PNAME = 'HRSOLVER' ! Program name\n LOGICAL, SAVE :: LFIRST = .TRUE. ! Flag for first call\n LOGICAL, ALLOCATABLE, SAVE :: LEBISPFL( : ) ! Convergence Error Flag for EBI species\n LOGICAL, ALLOCATABLE, SAVE :: MAXCONC ( : ) ! MAXCONC ERROR Flag for EBI species\n LOGICAL, ALLOCATABLE, SAVE :: NOTMAX ( : ) ! Initial concentration not greater than MAXPRED\n\n REAL( 8 ), ALLOCATABLE, SAVE :: RERROR ( : ) ! Relative Error\n REAL( 8 ), ALLOCATABLE, SAVE :: AERROR ( : ) ! Absolute Error\n\n\nC..SCRATCH LOCAL VARIABLES:\n\n CHARACTER( 132 ) :: MSG ! Message text\n\n INTEGER CELLNO ! Cell no. fo debug output\n INTEGER ITER ! Loop index for Backward Euler iterations\n INTEGER S ! Loop index for species\n INTEGER SP ! Imbedded loop index for species\n INTEGER NEBI ! Loop index for time steps\n INTEGER NINR ! No. of inner time steps\n#ifdef hrdebug\n INTEGER N ! Loop index\n#endif\n INTEGER M ! species index\n INTEGER EBI ! Loop index\n INTEGER NBKUPS ! No. of times time step reduced\n INTEGER ERR ! Allocate error flag\n\n\n LOGICAL LEBI_CONV ! Flag for EBI convergence\n LOGICAL MXFL ! hit MAXPRED flag\n\n REAL( 8 ) DTC ! Time step to take\n REAL( 8 ) DTG ! Time step in degrade routines, sec\n REAL( 8 ) FXDLOSS ! Total loss due to negative stoichiometry\n REAL( 8 ) VARLOSS ! Loss excluding negative stoichiometry\n\n\n#ifdef hrdebug\n CHARACTER( 8 ) :: NOTE ! Convergence fail note\n\n INTEGER COL ! Column to generate deboug output for\n INTEGER ROW ! Row to generate deboug output for\n INTEGER LEV ! Level to generate deboug output for\n INTEGER DBGOUT ! Output unit for debu outpt\n\n LOGICAL LDEBUG ! Debug output flag\n LOGICAL, SAVE :: LOPEN = .FALSE.\n#endif\n\n\nC**********************************************************************\n\n\n IF( LFIRST ) THEN\n LFIRST = .FALSE.\n\n ALLOCATE ( LEBISPFL( NUMB_MECH_SPC ), STAT = ERR )\n IF ( ERR .NE. 0 ) THEN\n MSG = 'Error allocating LEBISPFL'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n END IF\n\n ALLOCATE ( MAXCONC( NUMB_MECH_SPC ), STAT = ERR )\n IF ( ERR .NE. 0 ) THEN\n MSG = 'Error allocating MAXCONC'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n END IF\n\n ALLOCATE ( NOTMAX( NUMB_MECH_SPC ), STAT = ERR )\n IF ( ERR .NE. 0 ) THEN\n MSG = 'Error allocating NOTMAX'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n END IF\n\n ALLOCATE ( RERROR( NUMB_MECH_SPC ), STAT = ERR )\n IF ( ERR .NE. 0 ) THEN\n MSG = 'Error allocating ERROR'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n END IF\n\n ALLOCATE ( AERROR( NUMB_MECH_SPC ), STAT = ERR )\n IF ( ERR .NE. 0 ) THEN\n MSG = 'Error allocating AERROR'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n END IF\n\n END IF\n\n#ifdef sens\n YCDDM = 0.0D0\n#endif\n\nc++++++++++++++++++++++++Debug section++++++++++++++++++++++++++++++++++\n#ifdef hrdebug\n COL = 0\n ROW = 0\n LEV = 0\n IF( C .EQ. COL .AND. R .EQ. ROW .AND. L .EQ. LEV ) THEN\nc IF( JTIME .EQ. 160000 ) THEN\n LDEBUG = .TRUE.\n ELSE\n LDEBUG = .FALSE.\n END IF\n\n IF( LDEBUG ) THEN\n IF( .NOT. LOPEN ) THEN\n DBGOUT = JUNIT()\n OPEN( UNIT = DBGOUT, FILE = 'debug.out' )\n LOPEN = .TRUE.\n END IF\n\n WRITE( DBGOUT, '( A, 2I4, I3, 1X, I7, 1X, I6 ) ' )\n & 'Debug output for col/row/lev/date/time:',\n & C, R, L, JDATE, JTIME\n WRITE( DBGOUT, '( A, F7.2) ' )\n & 'EBI_TMSTEP = ', EBI_TMSTEP\n WRITE( DBGOUT, '( A )' ) 'Starting concs and rate constants'\n DO N = 1, NUMB_MECH_SPC\n WRITE( DBGOUT, '( A, I3, 1X, A, 1X, 1PD13.5 )' )\n & 'SP ',N, CHEMISTRY_SPC( N ), YC( N )\n END DO\n DO N = 1, N_RXNS\n WRITE( DBGOUT, '( A, I3, 1X, 1PD13.5 )' )\n & 'RKI ', N, RKI( N )\n END DO\n END IF\n#endif\nc++++++++++++++++++++++++Debug section++++++++++++++++++++++++++++++++++\n\n\n\n DTC = EBI_TMSTEP\n\n N_EBI_IT = 0\n NBKUPS = 0\n N_INR_STEPS = 1\n NEBI = 1\n LEBI_CONV = .TRUE.\n#ifdef isam\n UPDATE_SOLD = .FALSE.\n UPDATE_PROBABILITIES = .TRUE.\n CALL SA_IRR_UNBLOCKED ( .TRUE., RKI, YC, DTC )\n#endif\n\n\n DO S = 1, NUMB_MECH_SPC\n IF( YC( S ) .LE. MAXPRED )THEN\n NOTMAX( S ) = .TRUE.\n ELSE\n NOTMAX( S ) = .FALSE.\n WRITE(LOGDEV,91000)C, R, L, CHEMISTRY_SPC(S), YC(S)\n END IF\n END DO\n\n! Initial PA_IRR\n IF( CALL_IRR ) CALL PA_IRR ( .TRUE., RKI, YC, DTC )\n SA_DEGRADE_STEP = 0\n TSTEP_EBI: DO ! EBI time-step loop\n\n SUBSTEP_EBI: DO NINR = 1, N_INR_STEPS ! time substeps loop\n! first attempt is sub time-step equals EBI time-step\n\n IF( LEBI_CONV ) YC0 = YC ! Set ICs for EBI iterations\n\n ITER_SUBSTEP: DO ITER = 1, NEBITER ! iteration loop solving for sub time-step\n\n\n N_EBI_IT = N_EBI_IT + 1\n CALL HRRATES\n\nc++++++++++++++++++++++++Debug section++++++++++++++++++++++++++++++++++\n#ifdef hrdebug\n IF( LDEBUG ) THEN\n WRITE( DBGOUT, '( A, I5 )' ) 'ITER NO ', ITER\n WRITE( DBGOUT, '( A, F12.5 )' )\n & ' DTC=', DTC\n\n IF( ITER .EQ. 1 ) THEN\n WRITE( DBGOUT, '( A )' ) 'Starting reaction rates'\n DO N = 1, N_RXNS\n WRITE( DBGOUT, '( A, I3, 1X, 1PD13.5 )' )\n & 'RXRAT ', N, RXRAT( NCELL, N )\n END DO\n END IF\n END IF\n#endif\nc++++++++++++++++++++++++Debug section++++++++++++++++++++++++++++++++++\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Call routines to compute concentrations of groups 1-4\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n CALL HRG1( DTC )\n\n CALL HRG2( DTC )\n\n CALL HRG3( DTC )\n\n CALL HRG4( DTC )\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Do the Euler backward method\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n CALL HRPRODLOSS\n\n DO EBI = 1, N_EBISP\n S = EBISP( EBI )\n YCP( S ) = YC( S )*( ( YC0( S ) + PROD( S ) * DTC )\n & / ( YC( S ) + LOSS( S ) * DTC ) )\n END DO\n\nc..Special treatment of PAR because of negative product stoichiometry\n IF( PNEG( PAR ) .GT. 0.0D0 ) THEN\n FXDLOSS = PNEG( PAR ) * DTC\n IF( FXDLOSS .GE. YC0( PAR ) + PROD( PAR ) * DTC ) THEN\n YCP( PAR ) = 0.0D0\n ELSE\n VARLOSS = MAX( LOSS( PAR ) - PNEG( PAR ) , ZERO )\n YCP( PAR ) = ( YC0( PAR ) + PROD( PAR ) * DTC - \n & FXDLOSS ) / ( 1.0D0 + VARLOSS * DTC / YC( PAR ) )\n END IF\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Check for convergence\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n LEBI_CONV = .TRUE.\n MXFL = .FALSE.\n\n DO S = 1, NUMB_MECH_SPC\n LEBISPFL( S ) = .FALSE.\n YCP( S ) = MAX( ZERO, YCP( S ) )\n AERROR( S ) = MAX( ABS( YC(S)-YCP(S) ), EPSLON )\n RERROR( S ) = AERROR( S ) / MAX( FLOOR, ABS( YC(S)+YCP(S) ) )\n IF( RERROR( S ) .GT. RTOL(S) .OR. AERROR( S ) .GT. 1.0D-5 )THEN\n LEBI_CONV = .FALSE.\n LEBISPFL( S ) = .TRUE.\n END IF\nc..test if predictions growing too large\n IF( YCP( S ) .GT. MAXPRED .AND. NOTMAX( S ) ) THEN\n MXFL = .TRUE.\n LEBI_CONV = .FALSE.\n LEBISPFL( S ) = .TRUE.\n END IF\n YC( S ) = YCP( S )\n END DO\nc..test if predictions growing too large, abort interation loop\n IF( MXFL ) EXIT ITER_SUBSTEP\n\nc++++++++++++++++++++++++Debug section++++++++++++++++++++++++++++++++++\n#ifdef hrdebug\n IF( LDEBUG ) THEN\n WRITE( DBGOUT, '( A, I5 )' ) 'Concs after ITER= ', ITER\n DO S = 1, NUMB_MECH_SPC\n\n IF( LEBISPFL( S ) ) THEN\n NOTE = 'CONV FAIL'\n ELSE\n NOTE = ' '\n END IF\n\n WRITE( DBGOUT, '( I3, 1X, A, 1PD13.5, 1X, A )' )\n & S, CHEMISTRY_SPC( S ), YC( S ), NOTE\n END DO\n IF( LEBI_CONV ) WRITE( DBGOUT, '( A )' )\n & '****Convergence achieved'\n END IF\n#endif\nc++++++++++++++++++++++++Debug section++++++++++++++++++++++++++++++++++\n\n IF( LEBI_CONV ) THEN\n\n DTG = 60.0D0 * DTC\n DO S = 1, NUMB_MECH_SPC\n M = CGRID_INDEX( S )\n YCCELL( M ) = YC( S )\n END DO\n#if defined(isam) || defined(verbose_isam)\n SA_DEGRADE_STEP = SA_DEGRADE_STEP + 1\n#endif\n IF( CALL_DEG )CALL DEGRADE(YCCELL, DTG, JDATE, JTIME) ! :WTH Call degradation routine\n\n IF( CALL_IRR ) CALL PA_IRR ( .FALSE., RKI, YC, DTC )\n#ifdef isam\n IF( NEBI .EQ. N_EBI_STEPS )UPDATE_SOLD = .TRUE.\n CALL SA_IRR_UNBLOCKED ( .FALSE., RKI, YC, DTC )\n UPDATE_PROBABILITIES = .FALSE.\n#endif\n\n#ifdef sens\nC Update the sum for the average over the chemistry integration\n YCDDM = YCDDM\n & + ( ( 0.5D0 * DTC ) * ( YC + YC0 ) )\n#endif\n\n CYCLE SUBSTEP_EBI ! solve for next sub time-step\n\n END IF\n\n END DO ITER_SUBSTEP\n! interating for substep failed, attempt to increase number of sub time-steps\n NBKUPS = NBKUPS + 1\n\n! IF( NBKUPS .LE. MXBKUPS ) THEN\n IF ( DTC .GT. DTMIN ) THEN\n! reset YC and cut sub time-step in half\n IF ( MXFL ) THEN\n WRITE( LOGDEV, 92008 ) NBKUPS\n WRITE( LOGDEV, 92009 ) C+PECOL_OFFSET, R+PEROW_OFFSET, L\n DO S = 1, NUMB_MECH_SPC\n IF( LEBISPFL( S ) )WRITE( LOGDEV, 92010 )TRIM( CHEMISTRY_SPC( S ) ),\n & YC0(S), YCP(S)\n END DO\n ELSE\n WRITE( LOGDEV, 92000 ) C+PECOL_OFFSET, R+PEROW_OFFSET, L, NBKUPS\n DO S = 1, NUMB_MECH_SPC\n IF( LEBISPFL( S ) )WRITE( LOGDEV, 92010 )TRIM( CHEMISTRY_SPC( S ) ),\n & YC0(S), YCP(S)\n END DO\n END IF\n\n YC = YC0 ! Set ICs for EBI time-step\n\n DTC = 0.5D0 * DTC\n\n N_INR_STEPS = 2 ** NBKUPS\n\n EXIT SUBSTEP_EBI\n\n ELSE\n\n WRITE( LOGDEV, 92040 ) C+PECOL_OFFSET, R+PEROW_OFFSET, L\n\n WRITE( LOGDEV, 92060 )\n DO S = 1, NUMB_MECH_SPC\n IF( LEBISPFL( S ) ) WRITE( LOGDEV, 92080 ) CHEMISTRY_SPC( S ),\n & YC0(S), YCP(S)\n END DO\n\n MSG = 'ERROR: Stopping because of EBI convergence failures'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT2 )\n\n END IF\n\n END DO SUBSTEP_EBI\n\n IF( LEBI_CONV )THEN\n NEBI = 1 + NEBI\n! test for completing final EBI time-step\n IF( NEBI .GT. N_EBI_STEPS )EXIT TSTEP_EBI\n! test whether backups were done\n IF( NBKUPS .EQ. 0 )CYCLE TSTEP_EBI\n! Reset NBKUPS, N_INR_STEPS and sub-time step\n NBKUPS = 0\n N_INR_STEPS = 1\n DTC = EBI_TMSTEP\n END IF\n\n END DO TSTEP_EBI\n\n#ifdef sens\n! Compute average over integration and filter values\n YCDDM = YCDDM / CHEMSTEP\n WHERE ( YCDDM .LT. 1.0D-25 ) YCDDM = 0.0D0\n#endif\n\n\n RETURN\n\n\n91000 FORMAT( 'WARNING: EBI solver in cell (',2(I4,','),I4,') Init.Conc. for ',\n & A16, ' = ', ES12.4,' ppmV')\n\n92000 FORMAT( 'WARNING: EBI Euler convergence failure' /\n & ' Reducing EBI time step because of ',\n & ' convergence failure in ' /\n & ' Cell (', I3, ', ', I3, ', ', I3, ')' ,\n & ' Solution Attempt #', I2 /\n & ' Below Species Causing Error: Init.Conc, Pred.Conc.' )\n\n92008 FORMAT( 'WARNING: At solution attempt #', I2 )\n92009 FORMAT( 'WARNING: EBI Euler convergence failure' /\n & ' Reducing EBI time step because of ',\n & ' MAXPRED failure in ' /\n & ' Cell (', I3, ', ', I3, ', ', I3, ')' ,\n & ' for the below species: : Init.Conc, Pred.Conc.')\n92010 FORMAT( A16, 2(1X,ES12.4), ' ppmV' )\n\n92040 FORMAT( 'ERROR: Max number of EBI time step reductions exceeded'\n & / ' Convergence failure for cell (', I3, ', ', I3,\n & ', ', I3, ')' )\n\n92060 FORMAT( ' Convergence failure for the following species:',\n & 'Init.Conc, Pred.Conc.' )\n\n92080 FORMAT( 10X, A, 2(1X,ES12.4), ' ppmV ' )\n\n92061 FORMAT( ' Convergence failure for the following species:',\n & 'Init.Conc, Pred.Conc.,Rel.Error,' )\n\n92081 FORMAT( 10X, A, 2(1X,ES12.4), ' ppmV ', ES12.4,'%' )\n\n END\n" }, { "path": "CCTM/src/gas/ebi_cracmm1_aq/hrdata_mod.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n MODULE HRDATA\n\nC*************************************************************************\nC\nC FUNCTION: Mechanism & solver data for EBI solver\nC\nC PRECONDITIONS: For the CRACMM1_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 14, 2022\nC\nC 18 Jul 14 B.Hutzell: revised to use real(8) variables for solution\nC*************************************************************************\n\nc..EBI solver fixed parameters\n INTEGER, PARAMETER :: NEBITER = 1000 ! No. of iterations for EBI\n INTEGER, PARAMETER :: MAX_CELLS_EBI = 1 ! max # cells in local conc arrays\n REAL( 8 ), PARAMETER :: DELTAT = 2.500D+00 ! EBI time step (min)\n\nc..Mechanism specific variables\n INTEGER N_SPEC ! No. of species in mechanism\n INTEGER N_RXNS ! No. of reactions in mechanism\n INTEGER N_EBISP ! No. of species solved by EBI\n INTEGER NING1 ! No. of species in group 1\n INTEGER NING2 ! No. of species in group 2\n INTEGER N_SPCL_RKS ! No. of special rate constants\n INTEGER N_ACTSP ! No. of species in mechanism (non-ss spec)\n INTEGER NCELL ! cell number in EBI Block\n\nc..Control flags\n LOGICAL L_AE_VRSN ! Flag for aerosol version of mech\n LOGICAL L_AQ_VRSN ! Flag for aqueous chemistry version of mech\n LOGICAL CALL_IRR ! Flag initializing for IRR and calling PA_IRR\n\n ! SWITCH for calling DEGRADE routine\n LOGICAL, SAVE :: CALL_DEG = .TRUE.\n\nc..Miscellaneous variables\n INTEGER N_EBI_IT ! No. of iterations for EBI\n INTEGER N_EBI_STEPS ! No. of time steps for EBI\n INTEGER N_INR_STEPS ! No. of inner time steps for EBI\n INTEGER PECOL_OFFSET ! Local Column Offset for processor\n INTEGER PEROW_OFFSET ! Local Column Offset for processor\n \n INTEGER, SAVE :: MODEL_SPECIES ! No. of species in CGRID\n\n REAL( 8 ) EBI_TMSTEP ! Time step for EBI loops (min)\n REAL( 8 ) CHEMSTEP ! Chemistry integration interval (min)\n\nc...Allocatable arrays\n INTEGER, ALLOCATABLE :: EBISP( : ) ! Index of EBI species\n INTEGER, ALLOCATABLE :: SSASP( : ) ! Index of ss species\n INTEGER, ALLOCATABLE :: ACTSP( : ) ! Index of active species\n INTEGER, ALLOCATABLE :: IOLD2NEW( :,: ) ! YC species map, used if NSPECIAL > 0\n\n REAL( 8 ), ALLOCATABLE :: RKI( : ) ! Rate constants\n REAL( 8 ), ALLOCATABLE :: RKI_SAV( :, : ) ! Saved values of RKI for SS species calcs\n\n REAL( 8 ), ALLOCATABLE :: YC ( : ) ! Species concentrations\n REAL( 8 ), ALLOCATABLE :: YC0( : ) ! Species concentrations\n REAL( 8 ), ALLOCATABLE :: YCP( : ) ! Species concentrations\n REAL( 8 ), ALLOCATABLE :: SYC( :, : ) ! Species concentrations\n\n REAL, ALLOCATABLE :: FORWARD_CONV( : ) ! CGRID to CHEM Species conversion factor\n REAL, ALLOCATABLE :: REVERSE_CONV( : ) ! CHEM to CGRID Species conversion factor\n\n REAL( 8 ), ALLOCATABLE :: RXRAT( : ) ! Reaction rates\n REAL( 8 ), ALLOCATABLE :: RTOL( : ) ! Species tolerances\n REAL( 8 ), ALLOCATABLE :: YCCELL( : ) ! ALL Species in cgrid\n REAL( 8 ), ALLOCATABLE :: PROD( : ) ! Prod of species\n REAL( 8 ), ALLOCATABLE :: LOSS( : ) ! Loss of species\n\n REAL, ALLOCATABLE :: PRES( :, :, : ) ! pressure (Pa)\n REAL, ALLOCATABLE :: QV ( :, :, : ) ! water vapor (Kg/Kg air)\n REAL, ALLOCATABLE :: TA ( :, :, : ) ! temperature (K)\n\n REAL, ALLOCATABLE :: SEAICE ( :, :) ! fractional seaice cover, [-]\n REAL, ALLOCATABLE :: DENS( :, :, : ) ! mass density (Kg/m^3)\n\n REAL, ALLOCATABLE :: SEAWATER_ZONE ( :,: ) ! fractional area of OPEN+SURF\n LOGICAL, ALLOCATABLE :: LFLAGIRR ( :,:,: ) ! Conduct IRR for cell\n\n REAL( 8 ), ALLOCATABLE :: ATMPRES ( : ) ! Cell pressure, Atm\n! REAL( 8 ), ALLOCATABLE :: PRESCELL( : ) ! Cell pressure, Pa\n REAL( 8 ), ALLOCATABLE :: H2O ( : ) ! Cell H2O mixing ratio (ppmV)\n REAL( 8 ), ALLOCATABLE :: TEMP ( : ) ! Cell Temperature\n REAL( 8 ), ALLOCATABLE :: DENSITY ( : ) ! Cell mass density (Kg/m3)\n REAL( 8 ), ALLOCATABLE :: HET ( :, : ) ! cell heterogeneous reaction rates\n REAL( 8 ), ALLOCATABLE :: RJIN ( :, : ) ! J-values for a cell\n REAL( 8 ), ALLOCATABLE :: SEAWATER ( : ) ! fractional area of OPEN+SURF for specific cell\n\nc..Species indices\n INTEGER, PARAMETER :: O3 = 1\n INTEGER, PARAMETER :: O3P = 2\n INTEGER, PARAMETER :: O1D = 3\n INTEGER, PARAMETER :: H2O2 = 4\n INTEGER, PARAMETER :: HO = 5\n INTEGER, PARAMETER :: NO2 = 6\n INTEGER, PARAMETER :: NO = 7\n INTEGER, PARAMETER :: NO3 = 8\n INTEGER, PARAMETER :: HONO = 9\n INTEGER, PARAMETER :: HNO3 = 10\n INTEGER, PARAMETER :: HNO4 = 11\n INTEGER, PARAMETER :: HO2 = 12\n INTEGER, PARAMETER :: HCHO = 13\n INTEGER, PARAMETER :: CO = 14\n INTEGER, PARAMETER :: ACD = 15\n INTEGER, PARAMETER :: MO2 = 16\n INTEGER, PARAMETER :: ALD = 17\n INTEGER, PARAMETER :: ETHP = 18\n INTEGER, PARAMETER :: ACT = 19\n INTEGER, PARAMETER :: ACO3 = 20\n INTEGER, PARAMETER :: UALD = 21\n INTEGER, PARAMETER :: KET = 22\n INTEGER, PARAMETER :: PINAL = 23\n INTEGER, PARAMETER :: HC10P = 24\n INTEGER, PARAMETER :: LIMAL = 25\n INTEGER, PARAMETER :: MEK = 26\n INTEGER, PARAMETER :: HKET = 27\n INTEGER, PARAMETER :: MACR = 28\n INTEGER, PARAMETER :: MACP = 29\n INTEGER, PARAMETER :: XO2 = 30\n INTEGER, PARAMETER :: MVK = 31\n INTEGER, PARAMETER :: GLY = 32\n INTEGER, PARAMETER :: MGLY = 33\n INTEGER, PARAMETER :: DCB1 = 34\n INTEGER, PARAMETER :: DCB2 = 35\n INTEGER, PARAMETER :: BALD = 36\n INTEGER, PARAMETER :: CHO = 37\n INTEGER, PARAMETER :: OP1 = 38\n INTEGER, PARAMETER :: OP2 = 39\n INTEGER, PARAMETER :: OPB = 40\n INTEGER, PARAMETER :: OP3 = 41\n INTEGER, PARAMETER :: PAA = 42\n INTEGER, PARAMETER :: ONIT = 43\n INTEGER, PARAMETER :: PAN = 44\n INTEGER, PARAMETER :: N2O5 = 45\n INTEGER, PARAMETER :: SO2 = 46\n INTEGER, PARAMETER :: SULF = 47\n INTEGER, PARAMETER :: SULRXN = 48\n INTEGER, PARAMETER :: ETH = 49\n INTEGER, PARAMETER :: HC3 = 50\n INTEGER, PARAMETER :: HC3P = 51\n INTEGER, PARAMETER :: ASOATJ = 52\n INTEGER, PARAMETER :: HC5 = 53\n INTEGER, PARAMETER :: HC5P = 54\n INTEGER, PARAMETER :: ETE = 55\n INTEGER, PARAMETER :: ETEP = 56\n INTEGER, PARAMETER :: OLT = 57\n INTEGER, PARAMETER :: OLTP = 58\n INTEGER, PARAMETER :: OLI = 59\n INTEGER, PARAMETER :: OLIP = 60\n INTEGER, PARAMETER :: ACE = 61\n INTEGER, PARAMETER :: ORA1 = 62\n INTEGER, PARAMETER :: BEN = 63\n INTEGER, PARAMETER :: BENP = 64\n INTEGER, PARAMETER :: PHEN = 65\n INTEGER, PARAMETER :: TOL = 66\n INTEGER, PARAMETER :: TOLP = 67\n INTEGER, PARAMETER :: CSL = 68\n INTEGER, PARAMETER :: XYM = 69\n INTEGER, PARAMETER :: XYMP = 70\n INTEGER, PARAMETER :: XYE = 71\n INTEGER, PARAMETER :: XYEP = 72\n INTEGER, PARAMETER :: ISO = 73\n INTEGER, PARAMETER :: ISOP = 74\n INTEGER, PARAMETER :: API = 75\n INTEGER, PARAMETER :: APIP1 = 76\n INTEGER, PARAMETER :: APIP2 = 77\n INTEGER, PARAMETER :: LIM = 78\n INTEGER, PARAMETER :: LIMP1 = 79\n INTEGER, PARAMETER :: LIMP2 = 80\n INTEGER, PARAMETER :: PINALP = 81\n INTEGER, PARAMETER :: RCO3 = 82\n INTEGER, PARAMETER :: LIMALP = 83\n INTEGER, PARAMETER :: ACTP = 84\n INTEGER, PARAMETER :: MEKP = 85\n INTEGER, PARAMETER :: KETP = 86\n INTEGER, PARAMETER :: MCP = 87\n INTEGER, PARAMETER :: MVKP = 88\n INTEGER, PARAMETER :: UALP = 89\n INTEGER, PARAMETER :: DCB3 = 90\n INTEGER, PARAMETER :: BALP = 91\n INTEGER, PARAMETER :: ADDC = 92\n INTEGER, PARAMETER :: MCT = 93\n INTEGER, PARAMETER :: MCTO = 94\n INTEGER, PARAMETER :: MOH = 95\n INTEGER, PARAMETER :: EOH = 96\n INTEGER, PARAMETER :: ROH = 97\n INTEGER, PARAMETER :: ETEG = 98\n INTEGER, PARAMETER :: ISHP = 99\n INTEGER, PARAMETER :: IEPOX = 100\n INTEGER, PARAMETER :: MAHP = 101\n INTEGER, PARAMETER :: ORA2 = 102\n INTEGER, PARAMETER :: ORAP = 103\n INTEGER, PARAMETER :: PPN = 104\n INTEGER, PARAMETER :: MPAN = 105\n INTEGER, PARAMETER :: TRPN = 106\n INTEGER, PARAMETER :: HOM = 107\n INTEGER, PARAMETER :: NALD = 108\n INTEGER, PARAMETER :: ISON = 109\n INTEGER, PARAMETER :: MCTP = 110\n INTEGER, PARAMETER :: OLNN = 111\n INTEGER, PARAMETER :: OLND = 112\n INTEGER, PARAMETER :: APINP1 = 113\n INTEGER, PARAMETER :: APINP2 = 114\n INTEGER, PARAMETER :: LIMNP1 = 115\n INTEGER, PARAMETER :: LIMNP2 = 116\n INTEGER, PARAMETER :: ADCN = 117\n INTEGER, PARAMETER :: VROCP4OXY2 = 118\n INTEGER, PARAMETER :: VROCN1OXY6 = 119\n INTEGER, PARAMETER :: FURANONE = 120\n INTEGER, PARAMETER :: VROCP3OXY2 = 121\n INTEGER, PARAMETER :: VROCP0OXY4 = 122\n INTEGER, PARAMETER :: BAL1 = 123\n INTEGER, PARAMETER :: BAL2 = 124\n INTEGER, PARAMETER :: ELHOM = 125\n INTEGER, PARAMETER :: VROCIOXY = 126\n INTEGER, PARAMETER :: SLOWROC = 127\n INTEGER, PARAMETER :: ACRO = 128\n INTEGER, PARAMETER :: BDE13 = 129\n INTEGER, PARAMETER :: BDE13P = 130\n INTEGER, PARAMETER :: FURAN = 131\n INTEGER, PARAMETER :: FURANO2 = 132\n INTEGER, PARAMETER :: PROG = 133\n INTEGER, PARAMETER :: SESQ = 134\n INTEGER, PARAMETER :: SESQNRO2 = 135\n INTEGER, PARAMETER :: VROCN2OXY2 = 136\n INTEGER, PARAMETER :: SESQRO2 = 137\n INTEGER, PARAMETER :: VROCP0OXY2 = 138\n INTEGER, PARAMETER :: VROCP1OXY3 = 139\n INTEGER, PARAMETER :: AGLYJ = 140\n INTEGER, PARAMETER :: IEPOXP = 141\n INTEGER, PARAMETER :: AISO3NOSJ = 142\n INTEGER, PARAMETER :: ASO4J = 143\n INTEGER, PARAMETER :: AISO3OSJ = 144\n INTEGER, PARAMETER :: VROCP6ALK = 145\n INTEGER, PARAMETER :: VROCP6ALKP = 146\n INTEGER, PARAMETER :: VROCP5ALK = 147\n INTEGER, PARAMETER :: VROCP5ALKP = 148\n INTEGER, PARAMETER :: VROCP4ALK = 149\n INTEGER, PARAMETER :: VROCP4ALKP = 150\n INTEGER, PARAMETER :: VROCP3ALK = 151\n INTEGER, PARAMETER :: VROCP3ALKP = 152\n INTEGER, PARAMETER :: VROCP2ALK = 153\n INTEGER, PARAMETER :: VROCP2ALKP = 154\n INTEGER, PARAMETER :: VROCP1ALK = 155\n INTEGER, PARAMETER :: VROCP1ALKP = 156\n INTEGER, PARAMETER :: HC10 = 157\n INTEGER, PARAMETER :: VROCP6ALKP2 = 158\n INTEGER, PARAMETER :: VROCP5ALKP2 = 159\n INTEGER, PARAMETER :: VROCP4ALKP2 = 160\n INTEGER, PARAMETER :: VROCP2OXY2 = 161\n INTEGER, PARAMETER :: VROCP3ALKP2 = 162\n INTEGER, PARAMETER :: VROCP1OXY1 = 163\n INTEGER, PARAMETER :: VROCP2ALKP2 = 164\n INTEGER, PARAMETER :: VROCP1ALKP2 = 165\n INTEGER, PARAMETER :: VROCN1OXY1 = 166\n INTEGER, PARAMETER :: HC10P2 = 167\n INTEGER, PARAMETER :: VROCP6ARO = 168\n INTEGER, PARAMETER :: VROCP6AROP = 169\n INTEGER, PARAMETER :: VROCN2OXY4 = 170\n INTEGER, PARAMETER :: VROCN1OXY3 = 171\n INTEGER, PARAMETER :: VROCP5ARO = 172\n INTEGER, PARAMETER :: VROCP5AROP = 173\n INTEGER, PARAMETER :: NAPH = 174\n INTEGER, PARAMETER :: NAPHP = 175\n INTEGER, PARAMETER :: VROCN2OXY8 = 176\n INTEGER, PARAMETER :: VROCP5OXY1 = 177\n INTEGER, PARAMETER :: VROCP6OXY1 = 178\n\n END MODULE HRDATA\n" }, { "path": "CCTM/src/gas/ebi_cracmm1_aq/hrdriver.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE CHEM( CGRID, JDATE, JTIME, TSTEP )\nC**********************************************************************\nC\nC FUNCTION: Driver subroutine for Euler Backward Iterative solver\nC\nC PRECONDITIONS: For the CRACMM1_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: HRINIT, HRCALCKS, HRSOLVER\nC FIND_DEGRADED, INIT_DEGRADE, FINAL_DEGRADE\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 14, 2022\nC Based on the algorithm in \"Test of Two Numerical\nC Schemes for Use in Atmospheric Transport-Chemistry\nC Models\", O. Hertel, R. Berkowicz, J. Christensen,\nC and O. Hov, Atm Env., Vol. 27A, No. 16, 1993.\nC Original MEBI code developed by Ho-Chun Huang,\nC SUNY, Albany -- \"On the performance of numerical\nC solvers for a chemistry submodel in three-dimensional\nC air quality models 1. Box model simulations\",\nC H. Huang and J.S. Chang, JGR, Vol 106, No. D17, 2001.\nC This version replaces Huang and Chang use of numerical\nC solutions with analytical solutions derived in\nC Hertel et al.\nC 21 Jun 10 J.Young: convert for Namelist redesign\nC 11 May 11 D.Wong: incorporated twoway model implementation\nC 27 Sep 11 B.Hutzell: revised method for defining CALL_DEG variable\nC 18 Jul 14 B.Hutzell: revised: 1) to use the RXNS_DATA and RXNS_FUNCTION\nC modules instead of include files, 2) to enable\nC reactions between species types, 3) to calculate\nC heterogeneous rate constants via AEROSOL_CHEMISTRY\nC module, 4) to replace call to HRCALCKS with\nC subroutine in RXNS_FUNCTION module and 5) to change\nC how degrade routines are used, if present\nC 02 Dec 14 B.Hutzell: 1) added terrestrial data to conduct surface\nC dependent reactions and 2) modified the call CALC_RCONST\nC routine\nC 01 Feb 19 D.Wong: Implemented centralized I/O approach, removed all MY_N\nC clauses\nC**********************************************************************\n\n USE HGRD_DEFN ! horizontal domain specifications\n USE VGRD_DEFN ! vertical layer specifications\n USE CGRID_SPCS ! CGRID mechanism species\n USE UTILIO_DEFN ! IOAPI parameters and functions declarations\n USE RXNS_DATA\n USE AEROSOL_CHEMISTRY\n USE RXNS_FUNCTION\n#ifdef isam\n USE SA_IRR_DEFN\n USE SA_DEFN\n#endif\n USE HRDATA\n USE PHOT_MOD, Only: INIT_PHOT_SHARED, RJ ! photolysis rate, in-line module\n USE PA_DEFN, Only: LIRR ! Process Analysis control and data variable\n USE PA_IRR_CLT\n#ifndef isam\n USE DEGRADE_ROUTINES, ONLY : N_REACT, RXTANT_MAP, DEG_LAY, DEG_COL, DEG_ROW,\n & FIND_DEGRADED, INIT_DEGRADE, FINAL_DEGRADE\n#else\n USE DEGRADE_ROUTINES, ONLY : N_REACT, RXTANT_MAP, SA_DEGRADE_EXTRACT,\n & FIND_DEGRADED, INIT_DEGRADE, FINAL_DEGRADE,\n & SA_DEGRADE_UPLOAD, DEG_LAY, DEG_COL, DEG_ROW\n#endif\n USE CENTRALIZED_IO_MODULE, ONLY : INTERPOLATE_VAR, OCEAN, SZONE\n#ifdef sens\n USE DDM3D_CHEM\n Use DDM3D_DEFN, Only: DATENUM, STARTDATE, IPT, IDATE, HIGH, NP, NPMAX, CKTIME\n#endif\n\n IMPLICIT NONE\n\nC..Includes:\n INCLUDE SUBST_FILES_ID ! CMAQ files\n INCLUDE SUBST_CONST ! CMAQ constants\n\n INCLUDE SUBST_EMISPRM ! Emissions processing control parameters\n\nC..Arguments:\n REAL, POINTER :: CGRID( :,:,:,: ) ! Species concentrations\n INTEGER JDATE ! Current date (YYYYDDD)\n INTEGER JTIME ! Current time (HHMMSS)\n INTEGER TSTEP( 3 ) ! Time step vector (HHMMSS)\n\nC..Parameters:\n REAL( 8 ), PARAMETER :: DCONMIN = 1.0D-30 ! minimum species concentration allowed\n REAL, PARAMETER :: CONCMIN = 1.0E-30 ! minimum species concentration allowed\n REAL, PARAMETER :: MAOMV = 1.0E6 * MWAIR / MWWAT ! Mol Wt of air over Mol Wt of water times 1.0E6\n\nC..External Functions:\n\n\nC..Saved Local Variables:\n\n CHARACTER( 16 ), SAVE :: PNAME = 'HRDRIVER' ! Program name\n\n INTEGER, SAVE :: ISTFL ! Unit no. of iteration stat output file\n LOGICAL, SAVE :: LFIRST = .TRUE. ! Flag for first call to this subroutine\n\n REAL( 8 ), SAVE :: PA2ATM ! Pascal to atm conv fac\n\nC..Scratch Local Variables:\n CHARACTER( 132 ) :: MSG ! Message text\n CHARACTER( 16 ) :: VNAME ! Name of I/O API data variable\n\n INTEGER C, E, L, R, S ! Loop indices\n INTEGER ISP ! array index\n\n INTEGER AVGEBI ! Average no. of EBI iterations\n INTEGER DELT_SEC ! EBI max time step in seconds\n INTEGER ESP ! Loop index for emissions species\n INTEGER ITMSTEP ! Chemistry integration interval (sec)\n INTEGER LEV ! Layer index\n INTEGER MIDDATE ! Date at time step midpoint\n INTEGER MIDTIME ! Time at time step midpoint\n INTEGER NPH ! Index for number of phot. rxns in PHOT\n INTEGER SPC ! Species loop index\n#ifdef hrstats\n INTEGER MNEBI ! Min no. of EBI iterations\n INTEGER MXEBI ! Max no. of EBI iterations\n#endif\n\n LOGICAL LSUNLIGHT ! Flag for sunlight\n\n REAL INV_DENS ! reciprocal of air mass density, m3/Kg\n#ifdef hrstats\n REAL SUMEBI ! Sum of EBI iterations\n#endif\n\n INTERFACE\n SUBROUTINE HRSOLVER( JDATE, JTIME, C, R, L )\n INTEGER, INTENT( IN ) :: JDATE ! Current date (YYYYDDD)\n INTEGER, INTENT( IN ) :: JTIME ! Current time (HHMMSS)\n INTEGER, INTENT( IN ) :: C, R, L ! Cell col, row, lev\n END SUBROUTINE HRSOLVER\n SUBROUTINE HETCHEM_UPDATE_AERO( CGRID )\n REAL, POINTER :: CGRID( :,:,:,: ) ! species concentration in cell\n END SUBROUTINE HETCHEM_UPDATE_AERO\n END INTERFACE\n\nC**********************************************************************\n\n IF( NUMB_MECH_SPC .EQ. 0 ) RETURN\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc On first call, call routines to set-up for EBI solver\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF( LFIRST ) THEN\n\n IF( MECHNAME .NE. 'CRACMM1_AQ' ) THEN\n MSG = 'This version of the EBI solver can only be used with'\n & // ' the CRACMM1_AQ chemical mechanism'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n#ifdef emis_chem\n EMISVD = .FALSE.\n#else\n EMISVD = .TRUE.\n#endif\n\n IF( INDEX( MECHNAME, 'AE' ) .NE. 0 ) THEN\n L_AE_VRSN = .TRUE.\n ELSE\n L_AE_VRSN = .FALSE.\n END IF\n\n IF( INDEX( MECHNAME, 'AQ' ) .NE. 0 ) THEN\n L_AQ_VRSN = .TRUE.\n ELSE\n L_AQ_VRSN = .FALSE.\n END IF\n\n IF( LIRR ) THEN\n CALL_IRR = .TRUE.\n ELSE\n CALL_IRR = .FALSE.\n END IF\n\n MODEL_SPECIES = NSPCSD ! WTH: find number of model species\n\n! Determine whether DEGRADE rountines are needed.\n\n CALL FIND_DEGRADED( JDATE, JTIME, CALL_DEG )\n IF( CALL_DEG )THEN\n WRITE(LOGDEV,*)'TX DEGRADE ROUTINES USED'\n WRITE(LOGDEV,*)'Mechanism contains degraded species'\n#ifdef verbose_gas\n ELSE\n WRITE(LOGDEV,*)'TX DEGRADE ROUTINES OMITTED'\n WRITE(LOGDEV,*)'MECHANISM does not include degraded species'\n#endif\n END IF\n\n CALL HRINIT\n\n ITMSTEP = TIME2SEC( TSTEP( 2 ) )\n CHEMSTEP = REAL( ITMSTEP, 8 ) / 60.0D0\n WRITE( LOGDEV, 92000 ) CHEMSTEP, DELTAT\n\n WRITE( LOGDEV, 92020 )\n DO SPC = 1, NUMB_MECH_SPC\n WRITE( LOGDEV, 92040 ) CHEMISTRY_SPC( SPC ), RTOL( SPC )\n END DO\n\n PA2ATM = REAL( 1.0 / STDATMPA, 8)\n\nc..If emissions processing requested stop\n IF( .NOT. EMISVD ) THEN ! assumes emis processing in gas chem\n\n MSG = 'ERROR: EBI solver not configured to '//\n & 'process emissions in chemistry'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n\n END IF ! End if doing emissions\n\n\n#ifdef hrstats\n ISTFL = JUNIT()\n OPEN( UNIT=ISTFL, FILE='iterstat.dat' )\n WRITE( ISTFL, 94020 )\n#endif\nC Define processor offsets\n\n PECOL_OFFSET = COLSD_PE( 1, MYPE+1 ) - 1\n PEROW_OFFSET = ROWSD_PE( 1, MYPE+1 ) - 1\n\n ALLOCATE( SEAWATER_ZONE( NCOLS, NROWS ) )\n DO R = 1, NROWS\n DO C = 1, NCOLS\n SEAWATER_ZONE( C,R ) = OCEAN( C,R ) + SZONE( C,R )\n END DO\n END DO\n\n ALLOCATE( DENS( NCOLS, NROWS, NLAYS ), PRES( NCOLS, NROWS, NLAYS ),\n & QV ( NCOLS, NROWS, NLAYS ), TA ( NCOLS, NROWS, NLAYS ),\n & SEAICE( NCOLS, NROWS ) )\n\nC..Initialize shared photolysis data\n CALL INIT_PHOT_SHARED()\n\nC..Determine which cells need IRR\n ALLOCATE( LFLAGIRR ( NCOLS, NROWS, NLAYS ) )\n CALL PA_IRR_CKCELLS ( LFLAGIRR )\n\n#ifdef isam\n NUMB_ISAM_CELLS = 1.0D0 / ( NCOLS * NROWS * NLAYS )\n CALL SA_IRR_INIT\n#endif\n\n#ifdef sens\n CALL INIT_DDM3D_CHEM()\n\nC For higher order sensitivities\n IF ( HIGH ) THEN\n DO RXN = 1, NRXNS\n IF( NREACT( RXN ) .EQ. 1 ) THEN\n ORDER1( RXN ) = .TRUE.\n ELSE\n ORDER1( RXN ) = .FALSE.\n END IF\n END DO\n END IF\n#endif\n\n LFIRST = .FALSE.\n\n END IF ! First time\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC Set date and time to center of time step, get necessary physical\nC data\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n MIDDATE = JDATE\n MIDTIME = JTIME\n ITMSTEP = TIME2SEC( TSTEP( 2 ) )\n CHEMSTEP = REAL( ITMSTEP, 8 ) / 60.0D0\n CALL NEXTIME( MIDDATE, MIDTIME, SEC2TIME( ITMSTEP / 2 ) )\n\nC.. Compute number of time step loops and step size for EBI solver\n DELT_SEC = INT( DELTAT * 60.0D0 + 0.1D0 )\n IF( DELT_SEC .GE. ITMSTEP ) THEN\n N_EBI_STEPS = 2\n EBI_TMSTEP = 0.5D0 * CHEMSTEP\n ELSE\n IF( MOD( ITMSTEP, DELT_SEC ) .EQ. 0 ) THEN\n N_EBI_STEPS = ITMSTEP / DELT_SEC\n ELSE\n N_EBI_STEPS = ITMSTEP / DELT_SEC + 1\n END IF\n EBI_TMSTEP = CHEMSTEP / REAL( N_EBI_STEPS, 8 )\n END IF\n\n N_INR_STEPS = 1\n\n\nC.. Get fractional seaice coverage from the METCRO2D file.\n\n CALL INTERPOLATE_VAR ('SEAICE', MIDDATE, MIDTIME, SEAICE)\n\nC.. Get ambient temperature in K\n\n CALL INTERPOLATE_VAR ('TA', MIDDATE, MIDTIME, TA)\n\nC.. Get specific humidity in Kg H2O / Kg air\n CALL INTERPOLATE_VAR ('QV', MIDDATE, MIDTIME, QV)\n\n! Get ambient MASS DENSITY in Kg/m^3\n CALL INTERPOLATE_VAR ('DENS', MIDDATE, MIDTIME, DENS)\n\nC.. Get pressure in Pascals\n CALL INTERPOLATE_VAR ('PRES', MIDDATE, MIDTIME, PRES)\n\nC.. Get Heteorogeneous rates and Update Aerosol Distribution Properties\n CALL HETCHEM_RATES( TA, PRES, QV, CGRID, DENS )\n\n#ifdef sens\n DATENUM = 1 + JDATE - STARTDATE ! Set the date and hour counters used in sensitivity calls\n\nC For reaction rate sensitivities\n DO NP = 1, NPMAX\n IF ( IPT( NP ) .EQ. 5 ) THEN\n CALL CKTIME( JDATE,JTIME,NP,RXNFLAG(NP) ) ! Rxnflag set to true iff ipt=5 and time, date within bounds\n IF ( IDATE( NP, DATENUM ) .NE. 1 ) RXNFLAG( NP ) = .FALSE.\n ELSE\n RXNFLAG( NP ) = .FALSE.\n END IF\n END DO\n\n#endif sens\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Top of loop over cells\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n#ifdef hrstats\n MNEBI = 1000\n MXEBI = 0\n SUMEBI = 0.0\n#endif\n\n NCELL = 1\n\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n\n DEG_LAY = L\n DEG_ROW = R\n DEG_COL = C\n\nc..reset CALL_IRR based on cell's values\n CALL_IRR = LFLAGIRR( C,R,L )\n\nc..Load ICs\n INV_DENS = 1.0 / DENS( C,R,L )\n DO SPC = 1, NUMB_MECH_SPC\n S = CGRID_INDEX( SPC )\n IF( CONVERT_CONC( SPC ) )THEN\n YC( SPC ) = REAL( MAX( CONCMIN,\n & INV_DENS*FORWARD_CONV( SPC )*CGRID( C,R,L,S )), 8 )\n ELSE\n YC( SPC ) = REAL( MAX( CGRID( C,R,L,S ), CONCMIN), 8 )\n END IF\n END DO\n\n IF(CALL_DEG)THEN ! INITIALIZE degradation routines\n\n YCCELL = 0.0D0\n DO S = 1, MODEL_SPECIES\n YCCELL( S ) = REAL( CGRID(C,R,L,S), 8)\n END DO\n CALL INIT_DEGRADE(YCCELL,TA(C,R,L),DENS(C,R,L),PRES(C,R,L),QV(C,R,L),RJIN(NCELL,:),\n & JDATE, JTIME)\n\n#ifdef isam\n CALL SA_DEGRADE_EXTRACT( C,R,L,DENS(C,R,L) )\n#endif\n END IF\n\nc..Set physical quantities\n TEMP( NCELL ) = REAL( TA( C,R,L ), 8)\n DENSITY( NCELL ) = REAL( DENS( C,R,L ), 8)\n! PRESCELL( NCELL ) = REAL( PRES( C,R,L ), 8)\n ATMPRES( NCELL ) = PA2ATM * REAL( PRES( C,R,L ), 8)\n H2O( NCELL ) = REAL( MAX ( MAOMV * QV( C,R,L ), 0.0 ), 8)\n SEAWATER (NCELL) = MAX ( 0.0D0, ( REAL( SEAWATER_ZONE( C,R ) - SEAICE (C,R) ,8) ) )\n\nc..Get rate constants\n LSUNLIGHT = .FALSE.\n FORALL( NPH = 1:NPHOTAB ) RJIN( NCELL,NPH ) = REAL( RJ( C,R,L,NPH ), 8)\n IF( MAXVAL(RJIN) .GT. 0.0D0 ) LSUNLIGHT = .TRUE.\n\n FORALL ( NPH = 1:NHETERO )HET( NCELL,NPH ) = REAL( KHETERO( NPH,C,R,L ), 8)\n\n CALL CALC_RCONST( TEMP, ATMPRES, H2O, RJIN, HET, LSUNLIGHT, SEAWATER, RKI_SAV, NCELL )\n FORALL( NPH = 1:NRXNS )RKI( NPH ) = RKI_SAV( NCELL, NPH )\n\n#ifdef isam\n#if defined(isam) || defined(verbose_isam)\nC...For diagnosing IRR calculations in log files\n IF( CHECK_ISAM )THEN\n WRITE_CELL = .FALSE.\n IF( C .EQ. MAX(1, NCOLS/2) .AND. R .EQ. MAX(1,NROWS/2) .AND. L .EQ. 1 )THEN\n WRITE_CELL = .TRUE.\n WRITE(LOGDEV,*)'WRITE_CELL = .TRUE.'\n ELSE\n WRITE_CELL = .FALSE.\n END IF\n END IF\n#endif\n CALL SA_IRR_EXTRACT( C, R, L, DENS( C,R,L ),YC )\n#endif\n\nc..Call EBI solver\n N_EBI_IT = 0\n\n CALL HRSOLVER( JDATE, JTIME, C, R, L )\n\n#ifdef hrstats\n MXEBI = MAX( MXEBI, N_EBI_IT )\n MNEBI = MIN( MNEBI, N_EBI_IT )\n SUMEBI = SUMEBI + REAL( N_EBI_IT )\n#endif\n\n\nc..Update concentration array\n DO SPC = 1, NUMB_MECH_SPC\n S = CGRID_INDEX( SPC )\n IF( CONVERT_CONC( SPC ) )THEN\n CGRID( C,R,L,S ) = REAL( REVERSE_CONV( SPC ) * DENS( C,R,L )\n & * MAX( YC( SPC ), DCONMIN), 4)\n ELSE\n CGRID( C,R,L,S ) = REAL( MAX( YC( SPC ), DCONMIN), 4)\n END IF\n END DO\n\n IF(CALL_DEG)THEN ! WTH: update based on degrade routines\n CALL FINAL_DEGRADE(YCCELL)\n UPDATE_DEGRADED: DO SPC = 1, N_REACT\n ISP = RXTANT_MAP( SPC )\n IF( ISP .LE. 0 )CYCLE UPDATE_DEGRADED\n DO S = 1, NUMB_MECH_SPC\n IF( CGRID_INDEX( S ) .EQ. ISP )CYCLE UPDATE_DEGRADED\n END DO\n CGRID(C,R,L,ISP) = REAL( YCCELL(ISP), 4)\n END DO UPDATE_DEGRADED\n#ifdef isam\n CALL SA_DEGRADE_UPLOAD( C,R,L,DENS(C,R,L) )\n#endif\n END IF\n\n#ifdef isam\n CALL SA_IRR_UPLOAD( C, R, L, DENS( C,R,L ), YC )\n#endif\n\nc..update irrout arrays if needed\n IF ( LFLAGIRR( C,R,L ) )CALL PA_IRR_CELLENDF( C, R, L )\n#ifdef sens\n DO RXN = 1, NRXNS\n SRK( RXN ) = RKI( RXN )\n IF ( HIGH ) THEN\n IF ( ORDER1 (RXN ) ) THEN\n SRK2( RXN ) = 0.0\n ELSE\n SRK2( RXN ) = RKI( RXN )\n END IF\n END IF\n END DO\n\n\n CALL SOLVE_DDM3D_CHEM( C,R,L,CHEMSTEP )\n#endif\n\n END DO\n END DO\n END DO\n\n! Update Aerosol Surface Area\n CALL HETCHEM_UPDATE_AERO( CGRID )\n\n#ifdef hrstats\n AVGEBI = SUMEBI / REAL( NCOLS * NROWS * NLAYS )\n WRITE( ISTFL, 94040 ) JDATE, JTIME, MNEBI, AVGEBI, MXEBI\n#endif\n\n RETURN\n\nC*********************** FORMAT STATEMENTS ****************************\n\n92000 FORMAT( / 10X, 'Euler Backward Iterative Parameters -'\n & / 10X, 'Chemistry Integration Time Interval (min):', F12.4,\n & / 10X, 'EBI maximum time step (min): ', F12.4 )\n\n92020 FORMAT( //10X, 'Species convergence tolerances:' )\n\n92040 FORMAT( 10X, A16, 2X, 1PE12.2 )\n\n92060 FORMAT( / 10X, 'Emissions Processing in Chemistry ...'\n & / 10X, 'Number of Emissions Layers: ', I3\n & / 10X, 'out of total Number of Model Layers:', I3 )\n\n\n94020 FORMAT( 'DATE TIME ', 'MNEBI AVEBI MXEBI' )\n\n94040 FORMAT( I7, 1X, I6, 1X, 3( I5, 1X ) )\n END\n" }, { "path": "CCTM/src/gas/ebi_cracmm1_aq/hrg1.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\n SUBROUTINE HRG1( DTC )\n\nC**********************************************************************\nC\nC FUNCTION: To solve for the concentration of NO2, NO, O3, and O3P\nC algebraically.\nC\nC PRECONDITIONS: For the CRACMM1_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 14, 2022\nC\nC 18 Jul 14 B.Hutzell: revised to use real(8) variables\nC 01 Jun 18 B.Hutzell: replaced steady solution for O1D with backward Euler\nC approximation. To match conditions where the initial\nC concentration cannot be neglected.\nC**********************************************************************\n USE HRDATA\n\n IMPLICIT NONE\n\n\nC..INCLUDES: None\n\n\nC..ARGUMENTS:\n REAL( 8 ), INTENT( IN ) :: DTC ! Time step\n\n\nC..PARAMETERS: None\n\n\nC..EXTERNAL FUNCTIONS: NONE\n\n\nC..SAVED LOCAL VARIABLES:\n! CHARACTER( 16 ), SAVE :: PNAME = 'HRG1' ! Prgram Name\n\n\nC..SCRATCH LOCAL VARIABLES:\n REAL( 8 ) :: O1D_S ! sum of O1D loss frequencies\n REAL( 8 ) :: O3P_S ! stoich coeff for O3P from O1D\n\n\n\n REAL( 8 ) :: R1_2 ! production term for NO from NO2\n REAL( 8 ) :: R2_1 ! production term for NO2 from NO\n REAL( 8 ) :: P1, P2, P3, P12 ! production terms for NO, NO2, O3, & O3P\n REAL( 8 ) :: L1, L2, L3, L12 ! loss terms for NO, NO2, O3, O3P\n REAL( 8 ) :: L1_INV, L2_INV,\n & L3_INV, L12_INV ! inverse of loss terms\n\n REAL( 8 ) :: T1, T2, T3, T4, T5 ! intermerdiate terms\n REAL( 8 ) :: F1, F2, F3 ! intermerdiate terms\n REAL( 8 ) :: A, B, C ! coefficients for quadratic equation\n REAL( 8 ) :: Q, XX, S1, S2 ! intermerdiate terms\n\n REAL( 8 ) :: RK1, RK2, RK3 ! rate constants\n\n REAL( 8 ) :: PO3 ! temp variable for O3\n\nC**********************************************************************\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc O1D Section\nc 1) sum of the rate constants for all O1D loss reactions\nc 2) get fractional yield of O3P from O1D loss\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n O1D_S = RKI( 45 ) ! O1D=O3P\n & + RKI( 46 ) ! O1D=O3P\n & + RKI( 47 ) ! O1D=0.2000D+01*HO\n\n O3P_S = RKI( 45 ) ! O1D=O3P\n & + RKI( 46 ) ! O1D=O3P\n\n O3P_S = O3P_S / O1D_S\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc NO Section\nc R1_2 = production of NO from NO2 ( rates of form k[NO2][x] )\nc except NO2+NO3=NO+NO2 (it is treated as if it were NO3=NO )\nc P1 = remaining NO production terms\nc L1 = loss of NO (except rxns producing NO2 - they are in R2_1)\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n R1_2 = RKI( 4 ) ! NO2=NO+O3P\n & + RKI( 59 ) * YC ( O3P ) ! NO2+O3P=NO\n R1_2 = R1_2 * DTC\n\n\n P1 = RXRAT( 5 ) ! NO3=NO\n & + RXRAT( 7 ) ! HONO=NO+HO\n & + RXRAT( 66 ) ! NO2+NO3=NO+NO2\n P1 = YC0( NO ) + P1 * DTC\n\n\n L1 = RKI( 54 ) * YC ( HO ) ! NO+HO=HONO\n & + RKI( 56 ) * YC ( HO2 ) ! NO+HO2=HNO3\n & + 6.5000D-02 * RKI( 175 ) * YC ( HC3P ) ! NO+HC3P=0.6600D+...\n & + 1.3600D-01 * RKI( 176 ) * YC ( HC5P ) ! NO+HC5P=0.2000D+...\n & + 3.0000D-02 * RKI( 178 ) * YC ( OLTP ) ! NO+OLTP=0.7800D+...\n & + 5.0000D-02 * RKI( 179 ) * YC ( OLIP ) ! NO+OLIP=0.8300D+...\n & + 2.0000D-03 * RKI( 180 ) * YC ( BENP ) ! NO+BENP=0.0000D+...\n & + 2.0000D-03 * RKI( 181 ) * YC ( TOLP ) ! NO+TOLP=0.2000D-...\n & + 2.0000D-03 * RKI( 182 ) * YC ( XYMP ) ! NO+XYMP=0.1000D-...\n & + 2.0000D-03 * RKI( 183 ) * YC ( XYEP ) ! NO+XYEP=0.2000D-...\n & + 1.2000D-01 * RKI( 184 ) * YC ( ISOP ) ! NO+ISOP=0.8800D+...\n & + 1.8000D-01 * RKI( 185 ) * YC ( APIP1 ) ! NO+APIP1=0.8200D+...\n & + 1.8000D-01 * RKI( 186 ) * YC ( APIP2 ) ! NO+APIP2=0.8200D+...\n & + 1.8000D-01 * RKI( 188 ) * YC ( APINP2 ) ! NO+APINP2=...\n & + 2.3000D-01 * RKI( 189 ) * YC ( LIMP1 ) ! NO+LIMP1=0.7700D+...\n & + 2.3000D-01 * RKI( 190 ) * YC ( LIMP2 ) ! NO+LIMP2=0.7700D+...\n & + 2.3000D-01 * RKI( 192 ) * YC ( LIMNP2 ) ! NO+LIMNP2=...\n & + 5.0000D-02 * RKI( 193 ) * YC ( PINALP ) ! NO+PINALP=...\n & + 6.0000D-02 * RKI( 194 ) * YC ( LIMALP ) ! NO+LIMALP=...\n & + 3.2000D-02 * RKI( 388 ) * YC ( BDE13P ) ! NO+BDE13P=...\n & + 8.0000D-02 * RKI( 396 ) * YC ( FURANO2 ) ! NO+FURANO2=...\n & + 2.4700D-01 * RKI( 410 ) * YC ( SESQRO2 ) ! NO+SESQRO2=...\n & + 2.8000D-01 * RKI( 426 ) * YC ( VROCP6ALKP ) ! NO+VROCP6ALKP=...\n & + 2.8000D-01 * RKI( 427 ) * YC ( VROCP5ALKP ) ! NO+VROCP5ALKP=...\n & + 2.8000D-01 * RKI( 428 ) * YC ( VROCP4ALKP ) ! NO+VROCP4ALKP=...\n & + 2.8000D-01 * RKI( 429 ) * YC ( VROCP3ALKP ) ! NO+VROCP3ALKP=...\n & + 2.8000D-01 * RKI( 430 ) * YC ( VROCP2ALKP ) ! NO+VROCP2ALKP=...\n & + 2.8000D-01 * RKI( 431 ) * YC ( VROCP1ALKP ) ! NO+VROCP1ALKP=...\n & + 2.6000D-01 * RKI( 432 ) * YC ( HC10P ) ! NO+HC10P=0.7400D+...\n & + 1.4000D-01 * RKI( 454 ) * YC ( VROCP6ALKP2 ) ! NO+VROCP6ALKP2=...\n & + 1.4000D-01 * RKI( 455 ) * YC ( VROCP5ALKP2 ) ! NO+VROCP5ALKP2=...\n & + 1.4000D-01 * RKI( 456 ) * YC ( VROCP4ALKP2 ) ! NO+VROCP4ALKP2=...\n & + 1.4000D-01 * RKI( 457 ) * YC ( VROCP3ALKP2 ) ! NO+VROCP3ALKP2=...\n & + 1.4000D-01 * RKI( 458 ) * YC ( VROCP2ALKP2 ) ! NO+VROCP2ALKP2=...\n & + 1.4000D-01 * RKI( 459 ) * YC ( VROCP1ALKP2 ) ! NO+VROCP1ALKP2=...\n & + 1.2000D-01 * RKI( 460 ) * YC ( HC10P2 ) ! NO+HC10P2=...\n & + 2.0000D-03 * RKI( 477 ) * YC ( VROCP6AROP ) ! NO+VROCP6AROP=...\n & + 2.0000D-03 * RKI( 483 ) * YC ( VROCP5AROP ) ! NO+VROCP5AROP=...\n & + 2.0000D-03 * RKI( 489 ) * YC ( NAPHP ) ! NO+NAPHP=0.5950D-...\n L1 = 1.0D0 + L1 * DTC\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc NO2 Section\nc R2_1 = production of NO2 from NO ( rates of form k[NO][x] )\nc a) NO+O3=NO2 not included\nc b) NO+NO3=2NO2 ( 1/2 of NO2 formation rate included )\nc c) NO3+NO2=NO+NO2 is not included for NO2\nc P2 = remaining NO2 production terms \nc a) NO+O3=NO2 not included\nc b) NO+NO3=2NO2 (1/2 of NO2 formation rate included )\nc L2 = loss of NO2 (except rxns producing NO2 - they are in R1_2)\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n R2_1 = RKI( 53 ) * YC ( O3P ) ! NO+O3P=NO2\n & + RKI( 55 ) * YC ( HO2 ) ! NO+HO2=NO2+HO\n & + 2.0000D+00 * RKI( 57 ) * YC ( NO ) ! NO+NO=0.2000D+01*NO2\n & + RKI( 65 ) * YC ( NO3 ) ! NO+NO3=0.2000D+...\n & + RKI( 173 ) * YC ( MO2 ) ! NO+MO2=NO2+HO2+HCHO\n & + RKI( 174 ) * YC ( ETHP ) ! NO+ETHP=NO2+HO2+ACD\n & + 9.3500D-01 * RKI( 175 ) * YC ( HC3P ) ! NO+HC3P=0.9350D+...\n & + 8.6400D-01 * RKI( 176 ) * YC ( HC5P ) ! NO+HC5P=0.8640D+...\n & + RKI( 177 ) * YC ( ETEP ) ! NO+ETEP=NO2+HO2+...\n & + 9.7000D-01 * RKI( 178 ) * YC ( OLTP ) ! NO+OLTP=0.9700D+...\n & + 9.5000D-01 * RKI( 179 ) * YC ( OLIP ) ! NO+OLIP=0.9500D+...\n & + 9.9800D-01 * RKI( 180 ) * YC ( BENP ) ! NO+BENP=0.9980D+...\n & + 9.9800D-01 * RKI( 181 ) * YC ( TOLP ) ! NO+TOLP=0.9980D+...\n & + 9.9800D-01 * RKI( 182 ) * YC ( XYMP ) ! NO+XYMP=0.9980D+...\n & + 9.9800D-01 * RKI( 183 ) * YC ( XYEP ) ! NO+XYEP=0.9980D+...\n & + 8.8000D-01 * RKI( 184 ) * YC ( ISOP ) ! NO+ISOP=0.8800D+...\n & + 8.2000D-01 * RKI( 185 ) * YC ( APIP1 ) ! NO+APIP1=0.8200D+...\n & + 8.2000D-01 * RKI( 186 ) * YC ( APIP2 ) ! NO+APIP2=0.8200D+...\n & + RKI( 187 ) * YC ( APINP1 ) ! NO+APINP1=...\n & + 8.2000D-01 * RKI( 188 ) * YC ( APINP2 ) ! NO+APINP2=...\n & + 7.7000D-01 * RKI( 189 ) * YC ( LIMP1 ) ! NO+LIMP1=0.7700D+...\n & + 7.7000D-01 * RKI( 190 ) * YC ( LIMP2 ) ! NO+LIMP2=0.7700D+...\n & + RKI( 191 ) * YC ( LIMNP1 ) ! NO+LIMNP1=...\n & + 7.7000D-01 * RKI( 192 ) * YC ( LIMNP2 ) ! NO+LIMNP2=...\n & + 9.5000D-01 * RKI( 193 ) * YC ( PINALP ) ! NO+PINALP=...\n & + 9.4000D-01 * RKI( 194 ) * YC ( LIMALP ) ! NO+LIMALP=...\n & + RKI( 195 ) * YC ( ACO3 ) ! NO+ACO3=NO2+MO2\n & + RKI( 196 ) * YC ( RCO3 ) ! NO+RCO3=NO2+ETHP\n & + RKI( 197 ) * YC ( ACTP ) ! NO+ACTP=NO2+ACO3+...\n & + RKI( 198 ) * YC ( MEKP ) ! NO+MEKP=NO2+...\n & + RKI( 199 ) * YC ( KETP ) ! NO+KETP=NO2+...\n & + RKI( 200 ) * YC ( MACP ) ! NO+MACP=NO2+...\n & + RKI( 201 ) * YC ( MCP ) ! NO+MCP=NO2+...\n & + RKI( 202 ) * YC ( MVKP ) ! NO+MVKP=NO2+...\n & + RKI( 203 ) * YC ( UALP ) ! NO+UALP=NO2+HO2+...\n & + RKI( 204 ) * YC ( BALP ) ! NO+BALP=NO2+BAL1\n & + RKI( 205 ) * YC ( BAL1 ) ! NO+BAL1=NO2+BAL2\n & + RKI( 206 ) * YC ( ADDC ) ! NO+ADDC=NO2+HO2+...\n & + RKI( 207 ) * YC ( MCTP ) ! NO+MCTP=NO2+MCTO\n & + RKI( 208 ) * YC ( ORAP ) ! NO+ORAP=NO2+GLY+HO2\n & + RKI( 209 ) * YC ( OLNN ) ! NO+OLNN=NO2+HO2+ONIT\n & + RKI( 210 ) * YC ( OLND ) ! NO+OLND=0.2000D+...\n & + RKI( 211 ) * YC ( ADCN ) ! NO+ADCN=0.2000D+...\n & + RKI( 212 ) * YC ( XO2 ) ! NO+XO2=NO2\n & + 9.6800D-01 * RKI( 388 ) * YC ( BDE13P ) ! NO+BDE13P=...\n & + 9.2000D-01 * RKI( 396 ) * YC ( FURANO2 ) ! NO+FURANO2=...\n & + RKI( 404 ) * YC ( SESQNRO2 ) ! NO+SESQNRO2=...\n & + 7.5300D-01 * RKI( 410 ) * YC ( SESQRO2 ) ! NO+SESQRO2=...\n & + 7.2000D-01 * RKI( 426 ) * YC ( VROCP6ALKP ) ! NO+VROCP6ALKP=...\n & + 7.2000D-01 * RKI( 427 ) * YC ( VROCP5ALKP ) ! NO+VROCP5ALKP=...\n & + 7.2000D-01 * RKI( 428 ) * YC ( VROCP4ALKP ) ! NO+VROCP4ALKP=...\n & + 7.2000D-01 * RKI( 429 ) * YC ( VROCP3ALKP ) ! NO+VROCP3ALKP=...\n & + 7.2000D-01 * RKI( 430 ) * YC ( VROCP2ALKP ) ! NO+VROCP2ALKP=...\n & + 7.2000D-01 * RKI( 431 ) * YC ( VROCP1ALKP ) ! NO+VROCP1ALKP=...\n & + 7.4000D-01 * RKI( 432 ) * YC ( HC10P ) ! NO+HC10P=0.7400D+...\n & + 8.6000D-01 * RKI( 454 ) * YC ( VROCP6ALKP2 ) ! NO+VROCP6ALKP2=...\n & + 8.6000D-01 * RKI( 455 ) * YC ( VROCP5ALKP2 ) ! NO+VROCP5ALKP2=...\n & + 8.6000D-01 * RKI( 456 ) * YC ( VROCP4ALKP2 ) ! NO+VROCP4ALKP2=...\n & + 8.6000D-01 * RKI( 457 ) * YC ( VROCP3ALKP2 ) ! NO+VROCP3ALKP2=...\n & + 8.6000D-01 * RKI( 458 ) * YC ( VROCP2ALKP2 ) ! NO+VROCP2ALKP2=...\n & + 8.6000D-01 * RKI( 459 ) * YC ( VROCP1ALKP2 ) ! NO+VROCP1ALKP2=...\n & + 8.8000D-01 * RKI( 460 ) * YC ( HC10P2 ) ! NO+HC10P2=...\n & + 9.9800D-01 * RKI( 477 ) * YC ( VROCP6AROP ) ! NO+VROCP6AROP=...\n & + 9.9800D-01 * RKI( 483 ) * YC ( VROCP5AROP ) ! NO+VROCP5AROP=...\n & + 9.9800D-01 * RKI( 489 ) * YC ( NAPHP ) ! NO+NAPHP=0.9980D+...\n R2_1 = R2_1 * DTC\n\n\n P2 = RXRAT( 6 ) ! NO3=NO2+O3P\n & + RXRAT( 8 ) ! HNO3=NO2+HO\n & + 8.0000D-01 * RXRAT( 9 ) ! HNO4=0.8000D+00*NO2+...\n & + RXRAT( 36 ) ! ONIT=NO2+HO2+0.2000D+...\n & + RXRAT( 37 ) ! PAN=NO2+ACO3\n & + RXRAT( 58 ) ! HONO+HO=NO2\n & + RXRAT( 63 ) ! NO3+HO=NO2+HO2\n & + 7.0000D-01 * RXRAT( 64 ) ! NO3+HO2=0.7000D+...\n & + RXRAT( 65 ) ! NO+NO3=0.2000D+01*NO2\n & + 2.0000D+00 * RXRAT( 67 ) ! NO3+NO3=0.2000D+01*NO2\n & + RXRAT( 69 ) ! N2O5=NO2+NO3\n & + RXRAT( 72 ) ! HNO4=NO2+HO2\n & + RXRAT( 73 ) ! HNO4+HO=NO2\n & + RXRAT( 127 ) ! MPAN+HO=NO2+HKET\n & + RXRAT( 128 ) ! ONIT+HO=NO2+HC3P\n & + RXRAT( 130 ) ! NALD+HO=NO2+XO2+HKET\n & + 6.8000D-01 * RXRAT( 157 ) ! MACR+NO3=0.6800D+...\n & + RXRAT( 164 ) ! MPAN+NO3=NO2+MACP\n & + RXRAT( 168 ) ! PAN=NO2+ACO3\n & + RXRAT( 170 ) ! PPN=NO2+RCO3\n & + RXRAT( 172 ) ! MPAN=NO2+MACP\n & + RXRAT( 187 ) ! NO+APINP1=0.2000D+...\n & + RXRAT( 191 ) ! NO+LIMNP1=0.2000D+...\n & + RXRAT( 210 ) ! NO+OLND=0.2000D+...\n & + RXRAT( 211 ) ! NO+ADCN=0.2000D+...\n & + 8.6000D-01 * RXRAT( 269 ) ! APINP1+MO2=0.8600D+...\n & + 7.5000D-01 * RXRAT( 270 ) ! APINP2+MO2=0.7500D+...\n & + 7.0000D-01 * RXRAT( 273 ) ! LIMNP1+MO2=0.7000D+...\n & + 7.5000D-01 * RXRAT( 274 ) ! LIMNP2+MO2=0.7500D+...\n & + RXRAT( 281 ) ! MCP+MO2=NO2+HO2+...\n & + 5.0000D-01 * RXRAT( 290 ) ! OLND+MO2=0.5000D+...\n & + 7.0000D-01 * RXRAT( 291 ) ! ADCN+MO2=0.7000D+...\n & + 8.6000D-01 * RXRAT( 306 ) ! APINP1+ACO3=0.8600D+...\n & + 5.0000D-01 * RXRAT( 307 ) ! APINP2+ACO3=0.5000D+...\n & + 7.0000D-01 * RXRAT( 310 ) ! LIMNP1+ACO3=0.7000D+...\n & + 5.0000D-01 * RXRAT( 311 ) ! LIMNP2+ACO3=0.5000D+...\n & + RXRAT( 318 ) ! MCP+ACO3=NO2+0.5000D+...\n & + RXRAT( 327 ) ! OLND+ACO3=NO2+0.5000D+...\n & + 7.0000D-01 * RXRAT( 328 ) ! ADCN+ACO3=0.7000D+...\n & + RXRAT( 331 ) ! MO2+NO3=NO2+HCHO+HO2\n & + RXRAT( 332 ) ! ETHP+NO3=NO2+HO2+ACD\n & + RXRAT( 333 ) ! HC3P+NO3=NO2+0.1400D+...\n & + RXRAT( 334 ) ! HC5P+NO3=NO2+0.5500D-...\n & + RXRAT( 335 ) ! ETEP+NO3=NO2+HO2+...\n & + RXRAT( 336 ) ! OLTP+NO3=NO2+0.7900D+...\n & + RXRAT( 337 ) ! OLIP+NO3=NO2+0.7200D+...\n & + RXRAT( 338 ) ! BENP+NO3=NO2+HO2+...\n & + RXRAT( 339 ) ! TOLP+NO3=NO2+0.9146D+...\n & + RXRAT( 340 ) ! XYMP+NO3=NO2+0.9518D+...\n & + RXRAT( 341 ) ! XYEP+NO3=NO2+0.9146D+...\n & + RXRAT( 342 ) ! ISOP+NO3=NO2+HO2+...\n & + RXRAT( 343 ) ! APIP1+NO3=NO2+HO2+ALD+KET\n & + RXRAT( 344 ) ! LIMP1+NO3=NO2+HO2+...\n & + RXRAT( 345 ) ! ACO3+NO3=NO2+MO2\n & + RXRAT( 346 ) ! RCO3+NO3=NO2+ETHP\n & + RXRAT( 347 ) ! ACTP+NO3=NO2+ACO3+HCHO\n & + RXRAT( 348 ) ! MEKP+NO3=NO2+0.6700D+...\n & + RXRAT( 349 ) ! KETP+NO3=NO2+HO2+DCB1\n & + RXRAT( 350 ) ! MACP+NO3=NO2+0.5380D+...\n & + RXRAT( 351 ) ! MCP+NO3=NO2+HO2+HCHO+HKET\n & + RXRAT( 352 ) ! MVKP+NO3=NO2+0.7000D+...\n & + RXRAT( 353 ) ! UALP+NO3=NO2+HO2+...\n & + RXRAT( 354 ) ! BALP+NO3=NO2+BAL1\n & + RXRAT( 355 ) ! BAL1+NO3=NO2+BAL2\n & + RXRAT( 356 ) ! ADDC+NO3=NO2+HO2+...\n & + RXRAT( 357 ) ! MCTP+NO3=NO2+MCTO\n & + RXRAT( 358 ) ! ORAP+NO3=NO2+GLY+HO2\n & + RXRAT( 359 ) ! OLNN+NO3=NO2+HO2+ONIT\n & + 2.0000D+00 * RXRAT( 360 ) ! OLND+NO3=0.2000D+...\n & + 2.0000D+00 * RXRAT( 361 ) ! ADCN+NO3=0.2000D+...\n & + 5.0000D-01 * RXRAT( 363 ) ! OLNN+OLND=0.5000D+...\n & + RXRAT( 364 ) ! OLND+OLND=NO2+0.5040D+...\n & + RXRAT( 365 ) ! XO2+NO3=NO2\n & + 4.8000D-01 * RXRAT( 374 ) ! APINP2+APIP1=0.4800D+...\n & + 4.8000D-01 * RXRAT( 375 ) ! APINP2+LIMP1=0.4800D+...\n & + 4.8000D-01 * RXRAT( 376 ) ! APINP2+ISOP=0.4800D+...\n & + 4.8000D-01 * RXRAT( 377 ) ! LIMNP2+APIP1=0.4800D+...\n & + 4.8000D-01 * RXRAT( 378 ) ! LIMNP2+LIMP1=0.4800D+...\n & + 4.8000D-01 * RXRAT( 379 ) ! LIMNP2+ISOP=0.4800D+...\n & + 6.8000D-01 * RXRAT( 385 ) ! ACRO+NO3=0.6800D+...\n & + RXRAT( 389 ) ! BDE13P+NO3=NO2+HO2+...\n & + RXRAT( 400 ) ! FURAN+NO3=NO2+0.8000D+...\n & + RXRAT( 404 ) ! NO+SESQNRO2=0.2000D+...\n & + 2.0000D+00 * RXRAT( 405 ) ! SESQNRO2+NO3=0.2000D+...\n & + RXRAT( 433 ) ! VROCP6ALKP+NO3=NO2+...\n & + RXRAT( 434 ) ! VROCP5ALKP+NO3=NO2+...\n & + RXRAT( 435 ) ! VROCP4ALKP+NO3=NO2+...\n & + RXRAT( 436 ) ! VROCP3ALKP+NO3=NO2+...\n & + RXRAT( 437 ) ! VROCP2ALKP+NO3=NO2+...\n & + RXRAT( 438 ) ! VROCP1ALKP+NO3=NO2+...\n & + RXRAT( 439 ) ! HC10P+NO3=NO2+HC10P2\n & + RXRAT( 461 ) ! VROCP6ALKP2+NO3=NO2+...\n & + RXRAT( 462 ) ! VROCP5ALKP2+NO3=NO2+...\n & + RXRAT( 463 ) ! VROCP4ALKP2+NO3=NO2+...\n & + RXRAT( 464 ) ! VROCP3ALKP2+NO3=NO2+...\n & + RXRAT( 465 ) ! VROCP2ALKP2+NO3=NO2+...\n & + RXRAT( 466 ) ! VROCP1ALKP2+NO3=NO2+...\n & + RXRAT( 467 ) ! HC10P2+NO3=NO2+KET+HO2\n & + RXRAT( 478 ) ! VROCP6AROP+NO3=NO2+...\n & + RXRAT( 484 ) ! VROCP5AROP+NO3=NO2+...\n & + RXRAT( 490 ) ! NAPHP+NO3=NO2+0.9405D+...\n P2 = YC0( NO2 ) + P2 * DTC\n\n\n L2 = RKI( 42 ) * YC ( O3 ) ! NO2+O3=NO3\n & + RKI( 60 ) * YC ( O3P ) ! NO2+O3P=NO3\n & + RKI( 61 ) * YC ( HO ) ! NO2+HO=HNO3\n & + RKI( 68 ) * YC ( NO3 ) ! NO2+NO3=N2O5\n & + RKI( 71 ) * YC ( HO2 ) ! NO2+HO2=HNO4\n & + RKI( 167 ) * YC ( ACO3 ) ! NO2+ACO3=PAN\n & + RKI( 169 ) * YC ( RCO3 ) ! NO2+RCO3=PPN\n & + RKI( 171 ) * YC ( MACP ) ! NO2+MACP=MPAN\n & + RKI( 213 ) * YC ( BAL2 ) ! NO2+BAL2=ONIT\n & + RKI( 214 ) * YC ( CHO ) ! NO2+CHO=ONIT\n & + RKI( 215 ) * YC ( MCTO ) ! NO2+MCTO=ONIT\n & + RKI( 414 ) ! NO2=0.5000D+...\n L2 = 1.0D0 + L2 * DTC\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc O3 Section\nc P3 = production of O3 except O+O2=O3\nc L3 = loss terms for O3 except NO+O3=NO2\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n P3 = YC0( O3 ) \n\n\n L3 = RKI( 1 ) ! O3=O3P\n & + RKI( 2 ) ! O3=O1D\n & + RKI( 39 ) * YC ( HO ) ! O3+HO=HO2\n & + RKI( 40 ) * YC ( HO2 ) ! O3+HO2=HO\n & + RKI( 42 ) * YC ( NO2 ) ! O3+NO2=NO3\n & + RKI( 44 ) * YC ( O3P ) ! O3+O3P=\n & + RKI( 132 ) * YC ( ETE ) ! O3+ETE=0.8000D-...\n & + RKI( 133 ) * YC ( OLT ) ! O3+OLT=0.2200D+...\n & + RKI( 134 ) * YC ( OLI ) ! O3+OLI=0.4600D+...\n & + RKI( 135 ) * YC ( ISO ) ! O3+ISO=0.2500D+...\n & + RKI( 136 ) * YC ( API ) ! O3+API=0.9000D+...\n & + RKI( 137 ) * YC ( LIM ) ! O3+LIM=0.8400D+...\n & + RKI( 138 ) * YC ( LIMAL ) ! O3+LIMAL=0.4000D-...\n & + RKI( 139 ) * YC ( TRPN ) ! O3+TRPN=HOM\n & + RKI( 140 ) * YC ( MACR ) ! O3+MACR=0.1900D+...\n & + RKI( 141 ) * YC ( MVK ) ! O3+MVK=0.1600D+...\n & + RKI( 142 ) * YC ( UALD ) ! O3+UALD=0.1000D+...\n & + RKI( 143 ) * YC ( DCB1 ) ! O3+DCB1=0.5000D-...\n & + RKI( 144 ) * YC ( DCB2 ) ! O3+DCB2=0.5000D-...\n & + RKI( 145 ) * YC ( DCB3 ) ! O3+DCB3=0.5000D-...\n & + RKI( 146 ) * YC ( MCTO ) ! O3+MCTO=MCTP\n & + RKI( 384 ) * YC ( ACRO ) ! O3+ACRO=0.8400D+...\n & + RKI( 393 ) * YC ( BDE13 ) ! O3+BDE13=0.6200D+...\n & + RKI( 399 ) * YC ( FURAN ) ! O3+FURAN=0.2000D-...\n & + RKI( 406 ) * YC ( SESQ ) ! O3+SESQ=0.9820D+...\n & + RKI( 415 ) ! O3=\n L3 = 1.0D0 + L3 * DTC\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc O3P Section \nc P12 = production of O3P except NO2+hv=O3P (J1)\nc L12 = loss terms\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n P12 = RXRAT( 1 ) ! O3=O3P\n & + O3P_S * RXRAT( 2 ) ! O3=O1D\n & + RXRAT( 6 ) ! NO3=O3P+NO2\n P12 = YC0( O3P ) + P12 * DTC\n\n\n L12 = RKI( 43 ) ! O3P=O3\n & + RKI( 44 ) * YC ( O3 ) ! O3P+O3=\n & + RKI( 53 ) * YC ( NO ) ! O3P+NO=NO2\n & + RKI( 59 ) * YC ( NO2 ) ! O3P+NO2=NO\n & + RKI( 60 ) * YC ( NO2 ) ! O3P+NO2=NO3\n L12 = 1.0D0 + L12 * DTC\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Solution section\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\nc..compute reciprocal of loss terms\n L1_INV = 1.0D0 / L1\n L2_INV = 1.0D0 / L2\n L3_INV = 1.0D0 / L3\n L12_INV = 1.0D0 / L12\n\nc..compute specific k*delta t terms\n RK1 = RKI( 4 ) * DTC ! J1 (NO2+hv=NO+O3P)\n RK2 = RKI( 43 ) * DTC ! J2 (O3P+O2=O3)\n RK3 = RKI( 41 ) * DTC ! k1_3 (NO+O3=NO2)\n\nc..compute terms that are used to calulate a,b & c\n T1 = RK1 * L2_INV ! J1 / ( 1.0 + Lno2 * dt )\n T2 = R1_2 * L2_INV ! r1,2 / ( 1.0 + Lno2 * dt)\n T3 = R2_1 * L1_INV ! r2,1 / ( 1.0 + Lno * dt)\n T4 = RK2 * L12_INV ! J2 / ( 1.0 + Lo3p * dt )\n T5 = T3 * P1 - T2 * P2 ! T3 * Pno - T2 * Pno2\n\n F1 = 1.0D0 + T2 + T3 ! factor in calculating a & b\n F2 = T1 * T4 ! factor in calculating a & b\n F3 = L3 * L1 + RK3 * P1 ! (1 + Lo3 * dt) (1 + lno * dt )\n ! + k1,3 * dt * Pno\n\n PO3 = P3 + P12 * T4\n\n A = RK3 * ( F1 - F2 )\n\n B = F1 * F3 + RK3 * ( F2 * ( P2 - P1 ) + PO3 + T5 )\n\n C = RK3 * P1 * ( PO3 + P2 * F2 ) + F3 * T5\n\n Q = -0.5D0 * ( B + SIGN( 1.0D0, B ) * SQRT( B * B - 4.0D0 * A * C ) )\n\n XX = MAX( Q / A , C / Q )\n\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Species solutions\nc [NO] = ( P1 + x ) / ( 1 + L1 )\nc [NO2] = ( P2 - x ) / ( 1 + L2 )\nc [O3 ] = ( P3 + Ko3p->O3 ) / (1 + K1,3 * [NO] + L3 )\nc [O3P] = ( P12 + J1 * [NO2] ) / ( 1 + L12 )\nc [O1D] = ( yc0(o1d) + Ko3->o1d * [O3] *dtc) / ( 1 + O1D_S*dtc )\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n YCP( NO ) = MAX( 0.0D0, ( P1 + XX ) * L1_INV )\n\n YCP( NO2 ) = MAX( 0.0D0, ( P2 - XX ) * L2_INV )\n\n S1 = P12 + RK1 * YCP( NO2 )\n\n S2 = T4 * S1\n\n YCP( O3 ) = ( P3 + S2 ) / ( L3 + RK3 * YCP( NO ) )\n\n YCP( O3P ) = S1 * L12_INV\n\n YCP( O1D ) = ( YC0( O1D ) + RKI( 2 ) * YCP( O3 ) * DTC ) \n & / ( 1.0D0 + O1D_S * DTC )\n\n RETURN\n\n END\n\n\n" }, { "path": "CCTM/src/gas/ebi_cracmm1_aq/hrg2.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\n SUBROUTINE HRG2( DTC )\nC**********************************************************************\nC\nC FUNCTION: To solve for the concentration of HO, HO2, HONO, and\nC HNO4 alebraically.\nC\nC PRECONDITIONS: For the CRACMM1_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 14, 2022\nC\nC 18 Jul 14 B.Hutzell: revised to use real(8) variables\nC**********************************************************************\n USE HRDATA\n\n IMPLICIT NONE\n\n\nC..INCLUDES: None\n\n\nC..ARGUMENTS:\n REAL( 8 ), INTENT( IN ) :: DTC ! Time step\n\nC..PARAMETERS: None\n\n\nC..EXTERNAL FUNCTIONS: NONE\n\n\nC..SAVED LOCAL VARIABLES:\n! CHARACTER( 16 ), SAVE :: PNAME = 'HRG2' ! Program name\n\n\nC..SCRATCH LOCAL VARIABLES:\n REAL( 8 ) :: O1D_S ! sum of O1D loss frequencies\n REAL( 8 ) :: OH_S ! stoich coeff for OH from O1D+H2O or H2\n REAL( 8 ) :: HO2_S ! stoich coeff for HO2 from O1D+H2 rxn\n REAL( 8 ) :: XOH_S ! stoich coeff for OH & HONO from NO2EX loss rxn\n REAL( 8 ) :: R4_19 ! production of OH from HONO\n REAL( 8 ) :: R19_4 ! production of HONO from OH\n REAL( 8 ) :: R4_5 ! production of OH from HO2\n REAL( 8 ) :: R5_4 ! production of HO2 from OH\n REAL( 8 ) :: R5_21 ! production of HO2 from HNO4\n REAL( 8 ) :: R21_5 ! production of HNO4 from HO2\n REAL( 8 ) :: P4, P5, P19, P21 ! species production form other paths\n REAL( 8 ) :: L4, L5, L19, L21 ! species loss terms\n\n REAL( 8 ) :: A, B, C ! coeffs of quadratic eq. for HO2\n REAL( 8 ) :: Q ! intermediate term\n\n REAL( 8 ) :: T1, T2, T3 ! intermediate terms\n\n REAL( 8 ) :: L21_INV ! reciprocal of HNO4 loss term\n\nC**********************************************************************\n\n\nc..stoichiometric coefficient for production of HOX from O3 via O1D\n O1D_S = RKI( 45 ) ! O1D=O3P\n & + RKI( 46 ) ! O1D=O3P\n & + RKI( 47 ) ! O1D=0.2000D+01*HO\n\n OH_S = 2.0000D+00 * RKI( 47 ) ! O1D=0.2000D+01*HO\n\n OH_S = OH_S / O1D_S\n\n\nc..Production of HO from HO2 (r4,5 terms )\n R4_5 = RKI( 40 ) * YC ( O3 ) ! HO2+O3=HO\n & + RKI( 55 ) * YC ( NO ) ! HO2+NO=HO+NO2\n & + 7.0000D-01 * RKI( 64 ) * YC ( NO3 ) ! HO2+NO3=0.7000D+...\n & + 4.4000D-01 * RKI( 238 ) * YC ( ACO3 ) ! HO2+ACO3=0.4400D+...\n & + 4.4000D-01 * RKI( 239 ) * YC ( RCO3 ) ! HO2+RCO3=0.4400D+...\n & + 1.5000D-01 * RKI( 240 ) * YC ( ACTP ) ! HO2+ACTP=0.1500D+...\n & + 4.0000D-01 * RKI( 397 ) * YC ( FURANO2 ) ! HO2+FURANO2=...\n\n R4_5 = R4_5 * DTC\n\nc..Production of HO from HONO (r4,19 terms )\n R4_19 = RKI( 7 ) ! HONO=HO+NO\n\n R4_19 = R4_19 * DTC\n\nc..Remaining HO production\n P4 = 2.0000D+00 * RXRAT( 3 ) ! H2O2=0.2000D+01*HO\n & + RXRAT( 8 ) ! HNO3=HO+NO2\n & + 2.0000D-01 * RXRAT( 9 ) ! HNO4=0.2000D+00*HO+0.8000D+...\n & + 3.4000D-01 * RXRAT( 22 ) ! MACR=0.3400D+00*HO+0.6600D+...\n & + RXRAT( 31 ) ! OP1=HO+HO2+HCHO\n & + RXRAT( 32 ) ! OP2=HO+HO2+ALD\n & + RXRAT( 33 ) ! OPB=HO+HO2+ALD\n & + RXRAT( 34 ) ! OP3=HO+HO2+ALD\n & + RXRAT( 35 ) ! PAA=HO+MO2\n & + OH_S * RXRAT( 2 ) ! O1D=0.2000D+01*HO\n & + 8.0000D-02 * RXRAT( 132 ) ! ETE+O3=0.8000D-01*HO+...\n & + 2.2000D-01 * RXRAT( 133 ) ! OLT+O3=0.2200D+00*HO+...\n & + 4.6000D-01 * RXRAT( 134 ) ! OLI+O3=0.4600D+00*HO+...\n & + 2.5000D-01 * RXRAT( 135 ) ! ISO+O3=0.2500D+00*HO+...\n & + 9.0000D-01 * RXRAT( 136 ) ! API+O3=0.9000D+00*HO+...\n & + 8.4000D-01 * RXRAT( 137 ) ! LIM+O3=0.8400D+00*HO+...\n & + 4.0000D-02 * RXRAT( 138 ) ! LIMAL+O3=0.4000D-01*HO+...\n & + 1.9000D-01 * RXRAT( 140 ) ! MACR+O3=0.1900D+00*HO+...\n & + 1.6000D-01 * RXRAT( 141 ) ! MVK+O3=0.1600D+00*HO+...\n & + 1.0000D-01 * RXRAT( 142 ) ! UALD+O3=0.1000D+00*HO+...\n & + 5.0000D-02 * RXRAT( 143 ) ! DCB1+O3=0.5000D-01*HO+HO2+...\n & + 5.0000D-02 * RXRAT( 144 ) ! DCB2+O3=0.5000D-01*HO+HO2+...\n & + 5.0000D-02 * RXRAT( 145 ) ! DCB3+O3=0.5000D-01*HO+HO2+...\n & + 8.2000D-01 * RXRAT( 186 ) ! APIP2+NO=0.8200D+00*HO+...\n & + 8.2000D-01 * RXRAT( 188 ) ! APINP2+NO=0.8200D+00*HO+...\n & + 7.7000D-01 * RXRAT( 190 ) ! LIMP2+NO=0.7700D+00*HO+...\n & + 7.7000D-01 * RXRAT( 192 ) ! LIMNP2+NO=0.7700D+00*HO+...\n & + 5.0000D-01 * RXRAT( 305 ) ! APIP2+ACO3=0.5000D+00*HO+...\n & + 5.0000D-01 * RXRAT( 309 ) ! LIMP2+ACO3=0.5000D+00*HO+...\n & + 4.8000D-01 * RXRAT( 368 ) ! APIP2+APIP1=0.4800D+00*HO+...\n & + 4.8000D-01 * RXRAT( 369 ) ! APIP2+LIMP1=0.4800D+00*HO+...\n & + 4.8000D-01 * RXRAT( 370 ) ! APIP2+ISOP=0.4800D+00*HO+...\n & + 4.8000D-01 * RXRAT( 371 ) ! LIMP2+APIP1=0.4800D+00*HO+...\n & + 4.8000D-01 * RXRAT( 372 ) ! LIMP2+LIMP1=0.4800D+00*HO+...\n & + 4.8000D-01 * RXRAT( 373 ) ! LIMP2+ISOP=0.4800D+00*HO+...\n & + 2.8000D-01 * RXRAT( 384 ) ! ACRO+O3=0.2800D+00*HO+...\n & + 2.0400D-01 * RXRAT( 386 ) ! ACRO=0.2040D+00*HO+0.4770D+...\n & + 8.0000D-02 * RXRAT( 393 ) ! BDE13+O3=0.8000D-01*HO+...\n & + 2.0000D-02 * RXRAT( 399 ) ! FURAN+O3=0.2000D-01*HO+ALD\n\n P4 = YC0( HO ) + P4 * DTC\n\nc..Production of HO2 from OH ( r5,4 terms )\n R5_4 = RKI( 39 ) * YC ( O3 ) ! HO+O3=HO2\n & + RKI( 48 ) ! HO=HO2\n & + RKI( 52 ) * YC ( H2O2 ) ! HO+H2O2=HO2\n & + RKI( 63 ) * YC ( NO3 ) ! HO+NO3=HO2+NO2\n & + RKI( 74 ) * YC ( SO2 ) ! HO+SO2=HO2+SULF+...\n & + RKI( 75 ) * YC ( CO ) ! HO+CO=HO2\n & + 3.5000D-01 * RKI( 83 ) * YC ( ACE ) ! HO+ACE=0.3500D+...\n & + 5.3000D-01 * RKI( 84 ) * YC ( BEN ) ! HO+BEN=0.5300D+...\n & + 1.8000D-01 * RKI( 85 ) * YC ( TOL ) ! HO+TOL=0.1800D+...\n & + 1.7000D-01 * RKI( 86 ) * YC ( XYM ) ! HO+XYM=0.1700D+...\n & + 1.8000D-01 * RKI( 87 ) * YC ( XYE ) ! HO+XYE=0.1800D+...\n & + RKI( 93 ) * YC ( HCHO ) ! HO+HCHO=HO2+CO\n & + RKI( 99 ) * YC ( HKET ) ! HO+HKET=HO2+MGLY\n & + RKI( 103 ) * YC ( GLY ) ! HO+GLY=HO2+...\n & + 5.2000D-01 * RKI( 105 ) * YC ( DCB1 ) ! HO+DCB1=0.5200D+...\n & + 5.2000D-01 * RKI( 106 ) * YC ( DCB2 ) ! HO+DCB2=0.5200D+...\n & + 5.6000D-01 * RKI( 107 ) * YC ( DCB3 ) ! HO+DCB3=0.5600D+...\n & + 6.1900D-01 * RKI( 109 ) * YC ( PHEN ) ! HO+PHEN=0.6190D+...\n & + 5.8400D-01 * RKI( 110 ) * YC ( CSL ) ! HO+CSL=0.5840D+...\n & + RKI( 112 ) * YC ( MOH ) ! HO+MOH=HO2+HCHO\n & + RKI( 113 ) * YC ( EOH ) ! HO+EOH=HO2+ACD\n & + RKI( 114 ) * YC ( ROH ) ! HO+ROH=HO2+...\n & + RKI( 115 ) * YC ( ETEG ) ! HO+ETEG=HO2+ALD\n & + RKI( 122 ) * YC ( ORA1 ) ! HO+ORA1=HO2\n & + 3.3300D-01 * RKI( 387 ) * YC ( BDE13 ) ! HO+BDE13=0.3330D+...\n & + 4.9000D-01 * RKI( 395 ) * YC ( FURAN ) ! HO+FURAN=0.4900D+...\n & + 6.6000D-01 * RKI( 398 ) * YC ( FURANONE ) ! HO+FURANONE=...\n & + RKI( 401 ) * YC ( PROG ) ! HO+PROG=HO2+...\n & + 1.6000D-01 * RKI( 475 ) * YC ( VROCP6ARO ) ! HO+VROCP6ARO=...\n & + 1.6000D-01 * RKI( 481 ) * YC ( VROCP5ARO ) ! HO+VROCP5ARO=...\n & + 1.6000D-01 * RKI( 487 ) * YC ( NAPH ) ! HO+NAPH=0.1600D+...\n\n R5_4 = R5_4 * DTC\n\nc..Production of HO2 from HNO4 (r5,21 term )\n R5_21 = 8.0000D-01 * RKI( 9 ) ! HNO4=0.8000D+...\n & + RKI( 72 ) ! HNO4=HO2+NO2\n\n R5_21 = R5_21 * DTC\n\nc..Remaining HO2 production terms\n P5 = 2.0000D+00 * RXRAT( 11 ) ! HCHO=0.2000D+01*HO2+CO\n & + RXRAT( 12 ) ! ACD=HO2+MO2+CO\n & + RXRAT( 13 ) ! ALD=HO2+ETHP+CO\n & + 1.2200D+00 * RXRAT( 16 ) ! UALD=0.1220D+01*HO2+...\n & + RXRAT( 17 ) ! PINAL=HO2+HC10P+CO\n & + RXRAT( 18 ) ! LIMAL=HO2+HC10P+CO\n & + RXRAT( 21 ) ! HKET=HO2+ACO3+HCHO\n & + 6.6000D-01 * RXRAT( 22 ) ! MACR=0.6600D+00*HO2+...\n & + 2.0000D+00 * RXRAT( 26 ) ! GLY=0.2000D+01*HO2+0.2000D+...\n & + RXRAT( 27 ) ! MGLY=HO2+ACO3+CO\n & + 1.5000D+00 * RXRAT( 28 ) ! DCB1=0.1500D+01*HO2+...\n & + 1.5000D+00 * RXRAT( 29 ) ! DCB2=0.1500D+01*HO2+...\n & + RXRAT( 30 ) ! BALD=HO2+CHO+CO\n & + RXRAT( 31 ) ! OP1=HO2+HO+HCHO\n & + RXRAT( 32 ) ! OP2=HO2+HO+ALD\n & + RXRAT( 33 ) ! OPB=HO2+HO+ALD\n & + RXRAT( 34 ) ! OP3=HO2+HO+ALD\n & + RXRAT( 36 ) ! ONIT=HO2+NO2+0.2000D+...\n & + 1.5000D-01 * RXRAT( 132 ) ! ETE+O3=0.1500D+00*HO2+...\n & + 3.2000D-01 * RXRAT( 133 ) ! OLT+O3=0.3200D+00*HO2+...\n & + 7.0000D-02 * RXRAT( 134 ) ! OLI+O3=0.7000D-01*HO2+...\n & + 2.5000D-01 * RXRAT( 135 ) ! ISO+O3=0.2500D+00*HO2+...\n & + 4.0000D-02 * RXRAT( 138 ) ! LIMAL+O3=0.4000D-01*HO2+...\n & + 1.4000D-01 * RXRAT( 140 ) ! MACR+O3=0.1400D+00*HO2+...\n & + 1.1000D-01 * RXRAT( 141 ) ! MVK+O3=0.1100D+00*HO2+...\n & + 7.2000D-02 * RXRAT( 142 ) ! UALD+O3=0.7200D-01*HO2+...\n & + RXRAT( 143 ) ! DCB1+O3=HO2+0.5000D-01*HO+...\n & + RXRAT( 144 ) ! DCB2+O3=HO2+0.5000D-01*HO+...\n & + RXRAT( 145 ) ! DCB3+O3=HO2+0.5000D-01*HO+...\n & + RXRAT( 154 ) ! HCHO+NO3=HO2+CO+HNO3\n & + RXRAT( 158 ) ! UALD+NO3=HO2+XO2+0.6680D+...\n & + RXRAT( 159 ) ! GLY+NO3=HO2+0.2000D+01*CO+HNO3\n & + RXRAT( 173 ) ! MO2+NO=HO2+NO2+HCHO\n & + RXRAT( 174 ) ! ETHP+NO=HO2+NO2+ACD\n & + 6.6000D-01 * RXRAT( 175 ) ! HC3P+NO=0.6600D+00*HO2+...\n & + 2.0000D-01 * RXRAT( 176 ) ! HC5P+NO=0.2000D+00*HO2+...\n & + RXRAT( 177 ) ! ETEP+NO=HO2+NO2+0.1600D+...\n & + 7.8000D-01 * RXRAT( 178 ) ! OLTP+NO=0.7800D+00*HO2+...\n & + 8.3000D-01 * RXRAT( 179 ) ! OLIP+NO=0.8300D+00*HO2+...\n & + 9.9800D-01 * RXRAT( 180 ) ! BENP+NO=0.9980D+00*HO2+...\n & + 9.9800D-01 * RXRAT( 181 ) ! TOLP+NO=0.9980D+00*HO2+...\n & + 9.9800D-01 * RXRAT( 182 ) ! XYMP+NO=0.9980D+00*HO2+...\n & + 9.9800D-01 * RXRAT( 183 ) ! XYEP+NO=0.9980D+00*HO2+...\n & + 8.8000D-01 * RXRAT( 184 ) ! ISOP+NO=0.8800D+00*HO2+...\n & + 8.2000D-01 * RXRAT( 185 ) ! APIP1+NO=0.8200D+00*HO2+...\n & + 7.7000D-01 * RXRAT( 189 ) ! LIMP1+NO=0.7700D+00*HO2+...\n & + 9.5000D-01 * RXRAT( 193 ) ! PINALP+NO=0.9500D+00*HO2+...\n & + 9.4000D-01 * RXRAT( 194 ) ! LIMALP+NO=0.9400D+00*HO2+...\n & + 6.7000D-01 * RXRAT( 198 ) ! MEKP+NO=0.6700D+00*HO2+NO2+...\n & + 7.7000D-01 * RXRAT( 199 ) ! KETP+NO=0.7700D+00*HO2+...\n & + 5.0000D-01 * RXRAT( 201 ) ! MCP+NO=0.5000D+00*HO2+NO2+...\n & + 3.0000D-01 * RXRAT( 202 ) ! MVKP+NO=0.3000D+00*HO2+...\n & + RXRAT( 203 ) ! UALP+NO=HO2+NO2+0.6100D+...\n & + RXRAT( 206 ) ! ADDC+NO=HO2+NO2+0.3200D+...\n & + RXRAT( 208 ) ! ORAP+NO=HO2+GLY+NO2\n & + RXRAT( 209 ) ! OLNN+NO=HO2+NO2+ONIT\n & + 7.4000D-01 * RXRAT( 255 ) ! MO2+MO2=0.7400D+00*HO2+...\n & + RXRAT( 256 ) ! ETHP+MO2=HO2+0.7500D+...\n & + 8.9400D-01 * RXRAT( 257 ) ! HC3P+MO2=0.8940D+00*HO2+...\n & + 8.4200D-01 * RXRAT( 258 ) ! HC5P+MO2=0.8420D+00*HO2+...\n & + RXRAT( 259 ) ! ETEP+MO2=HO2+0.1950D+...\n & + RXRAT( 260 ) ! OLTP+MO2=HO2+0.1500D+...\n & + RXRAT( 261 ) ! OLIP+MO2=HO2+0.7500D+...\n & + 1.3700D+00 * RXRAT( 262 ) ! BENP+MO2=0.1370D+01*HO2+...\n & + 1.2846D+00 * RXRAT( 263 ) ! TOLP+MO2=0.1285D+01*HO2+...\n & + 1.3218D+00 * RXRAT( 264 ) ! XYMP+MO2=0.1322D+01*HO2+...\n & + 1.2846D+00 * RXRAT( 265 ) ! XYEP+MO2=0.1285D+01*HO2+...\n & + RXRAT( 266 ) ! ISOP+MO2=HO2+0.1310D+...\n & + RXRAT( 267 ) ! APIP1+MO2=HO2+0.6800D+...\n & + RXRAT( 268 ) ! APIP2+MO2=HO2+0.7500D+...\n & + 3.7000D-01 * RXRAT( 269 ) ! APINP1+MO2=0.3700D+00*HO2+...\n & + 7.5000D-01 * RXRAT( 270 ) ! APINP2+MO2=0.7500D+00*HO2+...\n & + RXRAT( 271 ) ! LIMP1+MO2=HO2+HCHO+0.4200D+...\n & + RXRAT( 272 ) ! LIMP2+MO2=HO2+0.7500D+...\n & + 3.7000D-01 * RXRAT( 273 ) ! LIMNP1+MO2=0.3700D+00*HO2+...\n & + 7.5000D-01 * RXRAT( 274 ) ! LIMNP2+MO2=0.7500D+00*HO2+...\n & + 9.0000D-01 * RXRAT( 275 ) ! ACO3+MO2=0.9000D+00*HO2+...\n & + 9.0000D-01 * RXRAT( 276 ) ! RCO3+MO2=0.9000D+00*HO2+...\n & + 5.0000D-01 * RXRAT( 277 ) ! ACTP+MO2=0.5000D+00*HO2+...\n & + 8.3400D-01 * RXRAT( 278 ) ! MEKP+MO2=0.8340D+00*HO2+...\n & + RXRAT( 279 ) ! KETP+MO2=HO2+0.7500D+...\n & + 5.0000D-01 * RXRAT( 280 ) ! MACP+MO2=0.5000D+00*HO2+...\n & + RXRAT( 281 ) ! MCP+MO2=HO2+NO2+0.1500D+...\n & + RXRAT( 282 ) ! MVKP+MO2=HO2+0.1160D+...\n & + RXRAT( 283 ) ! UALP+MO2=HO2+0.3050D+00*CO+...\n & + RXRAT( 284 ) ! BALP+MO2=HO2+BAL1+HCHO\n & + RXRAT( 285 ) ! BAL1+MO2=HO2+BAL2+HCHO\n & + 2.0000D+00 * RXRAT( 286 ) ! ADDC+MO2=0.2000D+01*HO2+...\n & + RXRAT( 287 ) ! MCTP+MO2=HO2+MCTO+HCHO\n & + RXRAT( 288 ) ! ORAP+MO2=HO2+HCHO+GLY\n & + 2.0000D+00 * RXRAT( 289 ) ! OLNN+MO2=0.2000D+01*HO2+...\n & + 5.0000D-01 * RXRAT( 290 ) ! OLND+MO2=0.5000D+00*HO2+...\n & + RXRAT( 291 ) ! ADCN+MO2=HO2+0.7000D+...\n & + RXRAT( 292 ) ! XO2+MO2=HO2+HCHO\n & + 5.0000D-01 * RXRAT( 293 ) ! ETHP+ACO3=0.5000D+00*HO2+...\n & + 3.9400D-01 * RXRAT( 294 ) ! HC3P+ACO3=0.3940D+00*HO2+...\n & + 3.4200D-01 * RXRAT( 295 ) ! HC5P+ACO3=0.3420D+00*HO2+...\n & + 5.0000D-01 * RXRAT( 296 ) ! ETEP+ACO3=0.5000D+00*HO2+...\n & + 5.0000D-01 * RXRAT( 297 ) ! OLTP+ACO3=0.5000D+00*HO2+...\n & + 5.0000D-01 * RXRAT( 298 ) ! OLIP+ACO3=0.5000D+00*HO2+...\n & + RXRAT( 299 ) ! BENP+ACO3=HO2+0.7000D+...\n & + 9.1460D-01 * RXRAT( 300 ) ! TOLP+ACO3=0.9146D+00*HO2+...\n & + 9.5180D-01 * RXRAT( 301 ) ! XYMP+ACO3=0.9518D+00*HO2+...\n & + 9.1460D-01 * RXRAT( 302 ) ! XYEP+ACO3=0.9146D+00*HO2+...\n & + 5.0000D-01 * RXRAT( 303 ) ! ISOP+ACO3=0.5000D+00*HO2+...\n & + 6.3000D-01 * RXRAT( 304 ) ! APIP1+ACO3=0.6300D+00*HO2+...\n & + 6.3000D-01 * RXRAT( 308 ) ! LIMP1+ACO3=0.6300D+00*HO2+...\n & + 3.3000D-01 * RXRAT( 315 ) ! MEKP+ACO3=0.3300D+00*HO2+...\n & + 5.0000D-01 * RXRAT( 316 ) ! KETP+ACO3=0.5000D+00*HO2+...\n & + 5.0000D-01 * RXRAT( 318 ) ! MCP+ACO3=0.5000D+00*HO2+...\n & + 5.0000D-01 * RXRAT( 319 ) ! MVKP+ACO3=0.5000D+00*HO2+...\n & + 5.0000D-01 * RXRAT( 320 ) ! UALP+ACO3=0.5000D+00*HO2+...\n & + 2.0000D+00 * RXRAT( 323 ) ! ADDC+ACO3=0.2000D+01*HO2+...\n & + RXRAT( 324 ) ! MCTP+ACO3=HO2+MO2+MCTO\n & + RXRAT( 326 ) ! OLNN+ACO3=HO2+MO2+ONIT\n & + RXRAT( 328 ) ! ADCN+ACO3=HO2+MO2+0.7000D+...\n & + RXRAT( 331 ) ! MO2+NO3=HO2+HCHO+NO2\n & + RXRAT( 332 ) ! ETHP+NO3=HO2+NO2+ACD\n & + 2.5400D-01 * RXRAT( 333 ) ! HC3P+NO3=0.2540D+00*HO2+...\n & + 4.8800D-01 * RXRAT( 334 ) ! HC5P+NO3=0.4880D+00*HO2+...\n & + RXRAT( 335 ) ! ETEP+NO3=HO2+NO2+0.1600D+...\n & + 7.9000D-01 * RXRAT( 336 ) ! OLTP+NO3=0.7900D+00*HO2+...\n & + 8.6000D-01 * RXRAT( 337 ) ! OLIP+NO3=0.8600D+00*HO2+...\n & + RXRAT( 338 ) ! BENP+NO3=HO2+NO2+0.0000D+...\n & + 9.1460D-01 * RXRAT( 339 ) ! TOLP+NO3=0.9146D+00*HO2+...\n & + 9.5180D-01 * RXRAT( 340 ) ! XYMP+NO3=0.9518D+00*HO2+...\n & + 9.1460D-01 * RXRAT( 341 ) ! XYEP+NO3=0.9146D+00*HO2+...\n & + RXRAT( 342 ) ! ISOP+NO3=HO2+NO2+0.7500D+...\n & + RXRAT( 343 ) ! APIP1+NO3=HO2+NO2+ALD+KET\n & + RXRAT( 344 ) ! LIMP1+NO3=HO2+NO2+0.3850D+...\n & + 6.7000D-01 * RXRAT( 348 ) ! MEKP+NO3=0.6700D+00*HO2+...\n & + RXRAT( 349 ) ! KETP+NO3=HO2+NO2+DCB1\n & + RXRAT( 351 ) ! MCP+NO3=HO2+NO2+HCHO+HKET\n & + 3.0000D-01 * RXRAT( 352 ) ! MVKP+NO3=0.3000D+00*HO2+...\n & + RXRAT( 353 ) ! UALP+NO3=HO2+NO2+0.6100D+...\n & + RXRAT( 356 ) ! ADDC+NO3=HO2+NO2+0.3200D+...\n & + RXRAT( 358 ) ! ORAP+NO3=HO2+GLY+NO2\n & + RXRAT( 359 ) ! OLNN+NO3=HO2+NO2+ONIT\n & + RXRAT( 362 ) ! OLNN+OLNN=HO2+0.2000D+01*ONIT\n & + 5.0000D-01 * RXRAT( 363 ) ! OLNN+OLND=0.5000D+00*HO2+...\n & + 4.8000D-01 * RXRAT( 368 ) ! APIP2+APIP1=0.4800D+00*HO2+...\n & + 4.8000D-01 * RXRAT( 369 ) ! APIP2+LIMP1=0.4800D+00*HO2+...\n & + 4.8000D-01 * RXRAT( 370 ) ! APIP2+ISOP=0.4800D+00*HO2+...\n & + 4.8000D-01 * RXRAT( 371 ) ! LIMP2+APIP1=0.4800D+00*HO2+...\n & + 4.8000D-01 * RXRAT( 372 ) ! LIMP2+LIMP1=0.4800D+00*HO2+...\n & + 4.8000D-01 * RXRAT( 373 ) ! LIMP2+ISOP=0.4800D+00*HO2+...\n & + 4.8000D-01 * RXRAT( 374 ) ! APINP2+APIP1=0.4800D+...\n & + 4.8000D-01 * RXRAT( 375 ) ! APINP2+LIMP1=0.4800D+...\n & + 4.8000D-01 * RXRAT( 376 ) ! APINP2+ISOP=0.4800D+00*HO2+...\n & + 4.8000D-01 * RXRAT( 377 ) ! LIMNP2+APIP1=0.4800D+...\n & + 4.8000D-01 * RXRAT( 378 ) ! LIMNP2+LIMP1=0.4800D+...\n & + 4.8000D-01 * RXRAT( 379 ) ! LIMNP2+ISOP=0.4800D+00*HO2+...\n & + 5.6000D-01 * RXRAT( 384 ) ! ACRO+O3=0.5600D+00*HO2+...\n & + 4.7700D-01 * RXRAT( 386 ) ! ACRO=0.4770D+00*HO2+...\n & + 9.6800D-01 * RXRAT( 388 ) ! BDE13P+NO=0.9680D+00*HO2+...\n & + RXRAT( 389 ) ! BDE13P+NO3=HO2+NO2+0.9250D+...\n & + 8.7000D-01 * RXRAT( 391 ) ! BDE13P+MO2=0.8700D+00*HO2+...\n & + 8.0000D-01 * RXRAT( 392 ) ! BDE13P+ACO3=0.8000D+00*HO2+...\n & + 4.2000D-01 * RXRAT( 393 ) ! BDE13+O3=0.4200D+00*HO2+...\n & + 7.5000D-01 * RXRAT( 396 ) ! FURANO2+NO=0.7500D+00*HO2+...\n & + RXRAT( 447 ) ! VROCP6ALKP2=HO2+VROCP3OXY2\n & + RXRAT( 448 ) ! VROCP5ALKP2=HO2+VROCP2OXY2\n & + RXRAT( 449 ) ! VROCP4ALKP2=HO2+VROCP1OXY1\n & + RXRAT( 450 ) ! VROCP3ALKP2=HO2+VROCP0OXY2\n & + RXRAT( 451 ) ! VROCP2ALKP2=HO2+VROCN1OXY1\n & + RXRAT( 452 ) ! VROCP1ALKP2=HO2+VROCN2OXY2\n & + RXRAT( 453 ) ! HC10P2=HO2+VROCP4OXY2\n & + 8.6000D-01 * RXRAT( 454 ) ! VROCP6ALKP2+NO=0.8600D+...\n & + 8.6000D-01 * RXRAT( 455 ) ! VROCP5ALKP2+NO=0.8600D+...\n & + 8.6000D-01 * RXRAT( 456 ) ! VROCP4ALKP2+NO=0.8600D+...\n & + 8.6000D-01 * RXRAT( 457 ) ! VROCP3ALKP2+NO=0.8600D+...\n & + 8.6000D-01 * RXRAT( 458 ) ! VROCP2ALKP2+NO=0.8600D+...\n & + 8.6000D-01 * RXRAT( 459 ) ! VROCP1ALKP2+NO=0.8600D+...\n & + 8.8000D-01 * RXRAT( 460 ) ! HC10P2+NO=0.8800D+00*HO2+...\n & + RXRAT( 461 ) ! VROCP6ALKP2+NO3=HO2+...\n & + RXRAT( 462 ) ! VROCP5ALKP2+NO3=HO2+...\n & + RXRAT( 463 ) ! VROCP4ALKP2+NO3=HO2+...\n & + RXRAT( 464 ) ! VROCP3ALKP2+NO3=HO2+...\n & + RXRAT( 465 ) ! VROCP2ALKP2+NO3=HO2+...\n & + RXRAT( 466 ) ! VROCP1ALKP2+NO3=HO2+...\n & + RXRAT( 467 ) ! HC10P2+NO3=HO2+KET+NO2\n & + 9.9800D-01 * RXRAT( 477 ) ! VROCP6AROP+NO=0.9980D+...\n & + 9.4050D-01 * RXRAT( 478 ) ! VROCP6AROP+NO3=0.9405D+...\n & + 1.3105D+00 * RXRAT( 479 ) ! VROCP6AROP+MO2=0.1310D+...\n & + 9.4050D-01 * RXRAT( 480 ) ! VROCP6AROP+ACO3=0.9405D+...\n & + 9.9800D-01 * RXRAT( 483 ) ! VROCP5AROP+NO=0.9980D+...\n & + 9.4050D-01 * RXRAT( 484 ) ! VROCP5AROP+NO3=0.9405D+...\n & + 1.3105D+00 * RXRAT( 485 ) ! VROCP5AROP+MO2=0.1310D+...\n & + 9.4050D-01 * RXRAT( 486 ) ! VROCP5AROP+ACO3=0.9405D+...\n & + 9.9800D-01 * RXRAT( 489 ) ! NAPHP+NO=0.9980D+00*HO2+...\n & + 9.4050D-01 * RXRAT( 490 ) ! NAPHP+NO3=0.9405D+00*HO2+...\n & + 1.3105D+00 * RXRAT( 491 ) ! NAPHP+MO2=0.1310D+01*HO2+...\n & + 9.4050D-01 * RXRAT( 492 ) ! NAPHP+ACO3=0.9405D+00*HO2+...\n\n P5 = YC0( HO2 ) + P5 * DTC\n\nc..Production of HONO from OH (r19,4 terms )\n\n R19_4 = RKI( 54 ) * YC( NO ) * DTC ! OH+NO=HONO\n\nc..Remaining HONO production terms\n P19 = 5.0000D-01 * RXRAT( 414 ) ! NO2=0.5000D+00*HONO+...\n\n P19 = YC0( HONO ) + P19 * DTC\n\nc..Production of HNO4 from HO2 (r21,5 term )\n\n R21_5 = RKI( 71 ) * YCP( NO2 ) * DTC ! HO2+NO2=HNO4\n\nc..Remaining HNO4 production terms\n P21 = YC0( HNO4 )\n\nc..HO loss terms not in R5_4 & R19_4\n L4 = RKI( 49 ) * YC ( HO2 ) ! HO+HO2=\n & + RKI( 58 ) * YC ( HONO ) ! HO+HONO=NO2\n & + RKI( 61 ) * YC ( NO2 ) ! HO+NO2=HNO3\n & + RKI( 62 ) * YC ( HNO3 ) ! HO+HNO3=NO3\n & + RKI( 73 ) * YC ( HNO4 ) ! HO+HNO4=NO2\n & + RKI( 76 ) ! HO=MO2\n & + RKI( 77 ) * YC ( ETH ) ! HO+ETH=ETHP\n & + RKI( 78 ) * YC ( HC3 ) ! HO+HC3=HC3P+...\n & + RKI( 79 ) * YC ( HC5 ) ! HO+HC5=HC5P+...\n & + RKI( 80 ) * YC ( ETE ) ! HO+ETE=ETEP\n & + RKI( 81 ) * YC ( OLT ) ! HO+OLT=OLTP\n & + RKI( 82 ) * YC ( OLI ) ! HO+OLI=OLIP\n & + 4.7000D-01 * RKI( 84 ) * YC ( BEN ) ! HO+BEN=0.5300D+...\n & + 8.2000D-01 * RKI( 85 ) * YC ( TOL ) ! HO+TOL=0.1800D+...\n & + 8.3000D-01 * RKI( 86 ) * YC ( XYM ) ! HO+XYM=0.1700D+...\n & + 8.2000D-01 * RKI( 87 ) * YC ( XYE ) ! HO+XYE=0.1800D+...\n & + RKI( 88 ) * YC ( ISO ) ! HO+ISO=ISOP\n & + RKI( 89 ) * YC ( API ) ! HO+API=0.9750D+...\n & + RKI( 90 ) * YC ( LIM ) ! HO+LIM=0.9450D+...\n & + RKI( 91 ) * YC ( PINAL ) ! HO+PINAL=0.2300D+...\n & + RKI( 92 ) * YC ( LIMAL ) ! HO+LIMAL=0.7000D+...\n & + RKI( 94 ) * YC ( ACD ) ! HO+ACD=ACO3\n & + RKI( 95 ) * YC ( ALD ) ! HO+ALD=RCO3\n & + RKI( 96 ) * YC ( ACT ) ! HO+ACT=ACTP\n & + RKI( 97 ) * YC ( MEK ) ! HO+MEK=MEKP\n & + RKI( 98 ) * YC ( KET ) ! HO+KET=KETP\n & + RKI( 100 ) * YC ( MACR ) ! HO+MACR=0.5700D+...\n & + RKI( 101 ) * YC ( MVK ) ! HO+MVK=MVKP\n & + RKI( 102 ) * YC ( UALD ) ! HO+UALD=0.3130D+...\n & + RKI( 104 ) * YC ( MGLY ) ! HO+MGLY=ACO3+CO\n & + 4.8000D-01 * RKI( 105 ) * YC ( DCB1 ) ! HO+DCB1=0.5200D+...\n & + 4.8000D-01 * RKI( 106 ) * YC ( DCB2 ) ! HO+DCB2=0.5200D+...\n & + 4.4000D-01 * RKI( 107 ) * YC ( DCB3 ) ! HO+DCB3=0.5600D+...\n & + RKI( 108 ) * YC ( BALD ) ! HO+BALD=BALP\n & + 3.8100D-01 * RKI( 109 ) * YC ( PHEN ) ! HO+PHEN=0.6190D+...\n & + 4.1600D-01 * RKI( 110 ) * YC ( CSL ) ! HO+CSL=0.5840D+...\n & + RKI( 111 ) * YC ( MCT ) ! HO+MCT=MCTO\n & + 6.5000D-01 * RKI( 116 ) * YC ( OP1 ) ! HO+OP1=0.3500D+...\n & + 9.9000D-01 * RKI( 117 ) * YC ( OP2 ) ! HO+OP2=0.1000D-...\n & + 9.9000D-01 * RKI( 118 ) * YC ( OPB ) ! HO+OPB=0.1000D-...\n & + 9.9000D-01 * RKI( 119 ) * YC ( OP3 ) ! HO+OP3=0.1000D-...\n & + RKI( 121 ) * YC ( MAHP ) ! HO+MAHP=MACP\n & + RKI( 123 ) * YC ( ORA2 ) ! HO+ORA2=0.6400D+...\n & + 6.5000D-01 * RKI( 124 ) * YC ( PAA ) ! HO+PAA=0.3500D+...\n & + RKI( 125 ) * YC ( PAN ) ! HO+PAN=XO2+NO3+HCHO\n & + RKI( 126 ) * YC ( PPN ) ! HO+PPN=XO2+NO3+HCHO\n & + RKI( 127 ) * YC ( MPAN ) ! HO+MPAN=NO2+HKET\n & + RKI( 128 ) * YC ( ONIT ) ! HO+ONIT=HC3P+NO2\n & + RKI( 129 ) * YC ( TRPN ) ! HO+TRPN=HOM\n & + RKI( 130 ) * YC ( NALD ) ! HO+NALD=NO2+XO2+HKET\n & + RKI( 131 ) * YC ( ISON ) ! HO+ISON=NALD+...\n & + RKI( 381 ) * YC ( VROCIOXY ) ! HO+VROCIOXY=...\n & + RKI( 382 ) * YC ( SLOWROC ) ! HO+SLOWROC=ETHP+...\n & + RKI( 383 ) * YC ( ACRO ) ! HO+ACRO=0.5700D+...\n & + 6.6700D-01 * RKI( 387 ) * YC ( BDE13 ) ! HO+BDE13=0.3330D+...\n & + 5.1000D-01 * RKI( 395 ) * YC ( FURAN ) ! HO+FURAN=0.4900D+...\n & + 3.4000D-01 * RKI( 398 ) * YC ( FURANONE ) ! HO+FURANONE=...\n & + RKI( 407 ) * YC ( SESQ ) ! HO+SESQ=SESQRO2\n & + RKI( 419 ) * YC ( VROCP6ALK ) ! HO+VROCP6ALK=...\n & + RKI( 420 ) * YC ( VROCP5ALK ) ! HO+VROCP5ALK=...\n & + RKI( 421 ) * YC ( VROCP4ALK ) ! HO+VROCP4ALK=...\n & + RKI( 422 ) * YC ( VROCP3ALK ) ! HO+VROCP3ALK=...\n & + RKI( 423 ) * YC ( VROCP2ALK ) ! HO+VROCP2ALK=...\n & + RKI( 424 ) * YC ( VROCP1ALK ) ! HO+VROCP1ALK=...\n & + RKI( 425 ) * YC ( HC10 ) ! HO+HC10=HC10P\n & + 8.4000D-01 * RKI( 475 ) * YC ( VROCP6ARO ) ! HO+VROCP6ARO=...\n & + 8.4000D-01 * RKI( 481 ) * YC ( VROCP5ARO ) ! HO+VROCP5ARO=...\n & + 8.4000D-01 * RKI( 487 ) * YC ( NAPH ) ! HO+NAPH=0.1600D+...\n\n L4 = 1.0D0 + L4 * DTC + R5_4 + R19_4\n\nc..HO2 loss terms not included in R4_5 & R21_5 (except for HO2+HO2 )\n L5 = RKI( 49 ) * YC ( HO ) ! HO2+HO=\n & + RKI( 56 ) * YC ( NO ) ! HO2+NO=HNO3\n & + 3.0000D-01 * RKI( 64 ) * YC ( NO3 ) ! HO2+NO3=0.7000D+...\n & + RKI( 216 ) * YC ( MO2 ) ! HO2+MO2=OP1\n & + RKI( 217 ) * YC ( ETHP ) ! HO2+ETHP=OP2\n & + RKI( 218 ) * YC ( HC3P ) ! HO2+HC3P=OP2\n & + RKI( 219 ) * YC ( HC5P ) ! HO2+HC5P=OP2\n & + RKI( 220 ) * YC ( ETEP ) ! HO2+ETEP=OP2\n & + RKI( 221 ) * YC ( OLTP ) ! HO2+OLTP=OP2\n & + RKI( 222 ) * YC ( OLIP ) ! HO2+OLIP=OP2\n & + RKI( 223 ) * YC ( BENP ) ! HO2+BENP=0.6021D+...\n & + RKI( 224 ) * YC ( TOLP ) ! HO2+TOLP=0.7195D+...\n & + RKI( 225 ) * YC ( XYMP ) ! HO2+XYMP=0.4820D-...\n & + RKI( 226 ) * YC ( XYEP ) ! HO2+XYEP=0.8540D-...\n & + RKI( 227 ) * YC ( ISOP ) ! HO2+ISOP=ISHP\n & + RKI( 228 ) * YC ( APIP1 ) ! HO2+APIP1=OPB\n & + RKI( 229 ) * YC ( APIP2 ) ! HO2+APIP2=HOM\n & + RKI( 230 ) * YC ( APINP1 ) ! HO2+APINP1=TRPN\n & + RKI( 231 ) * YC ( APINP2 ) ! HO2+APINP2=HOM\n & + RKI( 232 ) * YC ( LIMP1 ) ! HO2+LIMP1=OPB\n & + RKI( 233 ) * YC ( LIMP2 ) ! HO2+LIMP2=HOM\n & + RKI( 234 ) * YC ( LIMNP1 ) ! HO2+LIMNP1=TRPN\n & + RKI( 235 ) * YC ( LIMNP2 ) ! HO2+LIMNP2=HOM\n & + RKI( 236 ) * YC ( PINALP ) ! HO2+PINALP=OPB\n & + RKI( 237 ) * YC ( LIMALP ) ! HO2+LIMALP=OPB\n & + 5.6000D-01 * RKI( 238 ) * YC ( ACO3 ) ! HO2+ACO3=0.4400D+...\n & + 5.6000D-01 * RKI( 239 ) * YC ( RCO3 ) ! HO2+RCO3=0.4400D+...\n & + 8.5000D-01 * RKI( 240 ) * YC ( ACTP ) ! HO2+ACTP=0.1500D+...\n & + RKI( 241 ) * YC ( MEKP ) ! HO2+MEKP=OP2\n & + RKI( 242 ) * YC ( KETP ) ! HO2+KETP=OP2\n & + RKI( 243 ) * YC ( MACP ) ! HO2+MACP=MAHP\n & + RKI( 244 ) * YC ( MCP ) ! HO2+MCP=MAHP\n & + RKI( 245 ) * YC ( MVKP ) ! HO2+MVKP=OP2\n & + RKI( 246 ) * YC ( UALP ) ! HO2+UALP=OP2\n & + RKI( 247 ) * YC ( ADDC ) ! HO2+ADDC=OP2\n & + RKI( 248 ) * YC ( CHO ) ! HO2+CHO=CSL\n & + RKI( 249 ) * YC ( MCTP ) ! HO2+MCTP=OP2\n & + RKI( 250 ) * YC ( ORAP ) ! HO2+ORAP=OP2\n & + RKI( 251 ) * YC ( OLNN ) ! HO2+OLNN=ONIT\n & + RKI( 252 ) * YC ( OLND ) ! HO2+OLND=ONIT\n & + RKI( 253 ) * YC ( ADCN ) ! HO2+ADCN=OP2\n & + RKI( 254 ) * YC ( XO2 ) ! HO2+XO2=OP2\n & + RKI( 390 ) * YC ( BDE13P ) ! HO2+BDE13P=OP2\n & + 2.8000D-01 * RKI( 397 ) * YC ( FURANO2 ) ! HO2+FURANO2=...\n & + RKI( 403 ) * YC ( SESQNRO2 ) ! HO2+SESQNRO2=...\n & + RKI( 408 ) * YC ( SESQRO2 ) ! HO2+SESQRO2=...\n & + RKI( 440 ) * YC ( VROCP6ALKP ) ! HO2+VROCP6ALKP=...\n & + RKI( 441 ) * YC ( VROCP5ALKP ) ! HO2+VROCP5ALKP=...\n & + RKI( 442 ) * YC ( VROCP4ALKP ) ! HO2+VROCP4ALKP=...\n & + RKI( 443 ) * YC ( VROCP3ALKP ) ! HO2+VROCP3ALKP=...\n & + RKI( 444 ) * YC ( VROCP2ALKP ) ! HO2+VROCP2ALKP=...\n & + RKI( 445 ) * YC ( VROCP1ALKP ) ! HO2+VROCP1ALKP=...\n & + RKI( 446 ) * YC ( HC10P ) ! HO2+HC10P=OP2\n & + RKI( 468 ) * YC ( VROCP6ALKP2 ) ! HO2+VROCP6ALKP2=...\n & + RKI( 469 ) * YC ( VROCP5ALKP2 ) ! HO2+VROCP5ALKP2=...\n & + RKI( 470 ) * YC ( VROCP4ALKP2 ) ! HO2+VROCP4ALKP2=...\n & + RKI( 471 ) * YC ( VROCP3ALKP2 ) ! HO2+VROCP3ALKP2=...\n & + RKI( 472 ) * YC ( VROCP2ALKP2 ) ! HO2+VROCP2ALKP2=...\n & + RKI( 473 ) * YC ( VROCP1ALKP2 ) ! HO2+VROCP1ALKP2=...\n & + RKI( 474 ) * YC ( HC10P2 ) ! HO2+HC10P2=...\n & + RKI( 476 ) * YC ( VROCP6AROP ) ! HO2+VROCP6AROP=...\n & + RKI( 482 ) * YC ( VROCP5AROP ) ! HO2+VROCP5AROP=...\n & + RKI( 488 ) * YC ( NAPHP ) ! HO2+NAPHP=...\n\n L5 = 1.0D0 + L5 * DTC + R4_5 + R21_5\n\nc..HONO loss terms not included in R4_19\n L19 = RKI( 58 ) * YC ( HO ) ! HONO+HO=NO2\n\n L19 = 1.0D0 + L19 * DTC + R4_19\n\nc..HNO4 loss terms not included in R5_21\n L21 = 2.0000D-01 * RKI( 9 ) ! HNO4=0.8000D+...\n & + RKI( 73 ) * YC ( HO ) ! HNO4+HO=NO2\n\n L21 = 1.0D0 + L21 * DTC + R5_21\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Solution section\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\nc..compute terms used to calculate a,b & c\n L21_INV = 1.0D0 / L21\n T1 = 1.0D0 / ( L4 * L19 - R4_19 * R19_4 )\n T2 = R5_4 * T1\n T3 = R5_21 * L21_INV\n\nc..solve quadratic equation for HO2\n A = 2.0D0 * ( RKI( 50 ) + RKI( 51 ) ) * DTC\n\n B = L5 - T3 * R21_5 - T2 * R4_5 * L19\n\n C = P5 + T3 * P21 + T2 * ( P4 * L19 + P19 * R4_19 )\n\n Q = -0.5D0 * ( B + SIGN( 1.0D0, B ) * SQRT( B * B + 4.0D0 * A * C ) )\n\n YCP( HO2 ) = MAX( Q / A , -C / Q )\n\nc..compute remaining species concentrations\n YCP( HO ) = ( ( P4 + R4_5 * YCP( HO2 ) ) * L19 + R4_19 * P19 ) * T1\n\n YCP( HNO4 ) = ( P21 + R21_5 * YCP( HO2 ) ) * L21_INV\n\n YCP( HONO ) = ( P19 + R19_4 * YCP( HO ) ) / L19\n\n RETURN\n\n END\n\n\n" }, { "path": "CCTM/src/gas/ebi_cracmm1_aq/hrg3.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE HRG3( DTC )\n\nC**********************************************************************\nC\nC FUNCTION: To solve for the concentration of C2O3 and PAN\nC\nC PRECONDITIONS: For the CRACMM1_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 14, 2022\nC\nC 18 Jul 14 B.Hutzell: revised to use real(8) variables\nC**********************************************************************\n USE HRDATA\n\n IMPLICIT NONE\n\nC..INCLUDES: NONE\n\nC..ARGUMENTS:\n REAL( 8 ), INTENT( IN ) :: DTC ! Time step\n\n\nC..PARAMETERS: NONE\n\n\nC..EXTERNAL FUNCTIONS: NONE\n\n\nC..SAVED LOCAL VARIABLES:\n! CHARACTER( 16 ), SAVE :: PNAME = 'HRG3' ! Program name\n\n\nC..SCRATCH LOCAL VARIABLES:\n REAL( 8 ) :: A, B, C, Q ! Quadratic equation terms\n REAL( 8 ) :: CMN ! Temp scalar\n REAL( 8 ) :: L8 ! Loss of CCO_O2\n REAL( 8 ) :: L9 ! Loss of PAN\n REAL( 8 ) :: P8 ! Production of CCO_O2\n\n REAL( 8 ) :: K8_8 ! Kaco3+aco3 * delta t\n REAL( 8 ) :: R8_9 ! Kpan-->aco3 * delta t\n REAL( 8 ) :: R9_8 ! Kaco3+no2-->pan * [NO2] * delta t\n\nC**********************************************************************\n\n\nc..Production of ACO3 (except from PAN )\n P8 = RXRAT( 14 ) ! ACT=ACO3+MO2\n & + 7.8400D-01 * RXRAT( 16 ) ! UALD=0.7840D+00*ACO3+...\n & + 9.0000D-01 * RXRAT( 19 ) ! MEK=0.9000D+00*ACO3+ETHP+...\n & + 5.0000D-01 * RXRAT( 20 ) ! KET=0.5000D+00*ACO3+...\n & + RXRAT( 21 ) ! HKET=ACO3+HO2+HCHO\n & + 6.7000D-01 * RXRAT( 22 ) ! MACR=0.6700D+00*ACO3+...\n & + RXRAT( 27 ) ! MGLY=ACO3+HO2+CO\n & + 2.5000D-01 * RXRAT( 28 ) ! DCB1=0.2500D+00*ACO3+...\n & + 2.5000D-01 * RXRAT( 29 ) ! DCB2=0.2500D+00*ACO3+...\n & + RXRAT( 94 ) ! ACD+HO=ACO3\n & + 3.1300D-01 * RXRAT( 102 ) ! UALD+HO=0.3130D+00*ACO3+...\n & + RXRAT( 104 ) ! MGLY+HO=ACO3+CO\n & + 6.5000D-01 * RXRAT( 124 ) ! PAA+HO=0.6500D+00*ACO3+...\n & + 9.0000D-02 * RXRAT( 134 ) ! OLI+O3=0.9000D-01*ACO3+...\n & + 1.0000D-01 * RXRAT( 135 ) ! ISO+O3=0.1000D+00*ACO3+...\n & + 1.0000D-01 * RXRAT( 140 ) ! MACR+O3=0.1000D+00*ACO3+...\n & + 2.8000D-01 * RXRAT( 141 ) ! MVK+O3=0.2800D+00*ACO3+...\n & + 2.0000D-03 * RXRAT( 142 ) ! UALD+O3=0.2000D-02*ACO3+...\n & + RXRAT( 155 ) ! ACD+NO3=ACO3+HNO3\n & + RXRAT( 160 ) ! MGLY+NO3=ACO3+CO+HNO3\n & + RXRAT( 197 ) ! ACTP+NO=ACO3+NO2+HCHO\n & + 2.3000D-01 * RXRAT( 199 ) ! KETP+NO=0.2300D+00*ACO3+...\n & + 3.5000D-01 * RXRAT( 200 ) ! MACP+NO=0.3500D+00*ACO3+...\n & + 7.0000D-01 * RXRAT( 202 ) ! MVKP+NO=0.7000D+00*ACO3+...\n & + 1.5000D-01 * RXRAT( 240 ) ! ACTP+HO2=0.1500D+00*ACO3+...\n & + 5.0000D-01 * RXRAT( 277 ) ! ACTP+MO2=0.5000D+00*ACO3+...\n & + 2.6900D-01 * RXRAT( 280 ) ! MACP+MO2=0.2690D+00*ACO3+...\n & + 1.1600D+00 * RXRAT( 282 ) ! MVKP+MO2=0.1160D+01*ACO3+...\n & + 1.6000D-01 * RXRAT( 319 ) ! MVKP+ACO3=0.1160D+01*ACO3+...\n & + RXRAT( 347 ) ! ACTP+NO3=ACO3+NO2+HCHO\n & + 5.3800D-01 * RXRAT( 350 ) ! MACP+NO3=0.5380D+00*ACO3+...\n & + 7.0000D-01 * RXRAT( 352 ) ! MVKP+NO3=0.7000D+00*ACO3+...\n & + 3.5400D-01 * RXRAT( 386 ) ! ACRO=0.3540D+00*ACO3+...\n\nc..Loss frequency of ACO3 ( not including ACO3 + ACO3 )\n L8 = RKI( 167 ) * YC ( NO2 ) ! ACO3+NO2=PAN\n & + RKI( 195 ) * YC ( NO ) ! ACO3+NO=MO2+NO2\n & + RKI( 238 ) * YC ( HO2 ) ! ACO3+HO2=0.4400D+...\n & + RKI( 275 ) * YC ( MO2 ) ! ACO3+MO2=0.9000D+...\n & + RKI( 293 ) * YC ( ETHP ) ! ACO3+ETHP=...\n & + RKI( 294 ) * YC ( HC3P ) ! ACO3+HC3P=...\n & + RKI( 295 ) * YC ( HC5P ) ! ACO3+HC5P=...\n & + RKI( 296 ) * YC ( ETEP ) ! ACO3+ETEP=...\n & + RKI( 297 ) * YC ( OLTP ) ! ACO3+OLTP=...\n & + RKI( 298 ) * YC ( OLIP ) ! ACO3+OLIP=...\n & + RKI( 299 ) * YC ( BENP ) ! ACO3+BENP=...\n & + RKI( 300 ) * YC ( TOLP ) ! ACO3+TOLP=...\n & + RKI( 301 ) * YC ( XYMP ) ! ACO3+XYMP=...\n & + RKI( 302 ) * YC ( XYEP ) ! ACO3+XYEP=...\n & + RKI( 303 ) * YC ( ISOP ) ! ACO3+ISOP=...\n & + RKI( 304 ) * YC ( APIP1 ) ! ACO3+APIP1=...\n & + RKI( 305 ) * YC ( APIP2 ) ! ACO3+APIP2=...\n & + RKI( 306 ) * YC ( APINP1 ) ! ACO3+APINP1=...\n & + RKI( 307 ) * YC ( APINP2 ) ! ACO3+APINP2=...\n & + RKI( 308 ) * YC ( LIMP1 ) ! ACO3+LIMP1=...\n & + RKI( 309 ) * YC ( LIMP2 ) ! ACO3+LIMP2=...\n & + RKI( 310 ) * YC ( LIMNP1 ) ! ACO3+LIMNP1=...\n & + RKI( 311 ) * YC ( LIMNP2 ) ! ACO3+LIMNP2=...\n & + RKI( 313 ) * YC ( RCO3 ) ! ACO3+RCO3=MO2+ETHP\n & + 5.0000D-01 * RKI( 314 ) * YC ( ACTP ) ! ACO3+ACTP=...\n & + RKI( 315 ) * YC ( MEKP ) ! ACO3+MEKP=...\n & + RKI( 316 ) * YC ( KETP ) ! ACO3+KETP=...\n & + 7.3100D-01 * RKI( 317 ) * YC ( MACP ) ! ACO3+MACP=...\n & + RKI( 318 ) * YC ( MCP ) ! ACO3+MCP=NO2+...\n & + RKI( 320 ) * YC ( UALP ) ! ACO3+UALP=...\n & + RKI( 321 ) * YC ( BALP ) ! ACO3+BALP=MO2+BAL1\n & + RKI( 322 ) * YC ( BAL1 ) ! ACO3+BAL1=MO2+BAL2\n & + RKI( 323 ) * YC ( ADDC ) ! ACO3+ADDC=...\n & + RKI( 324 ) * YC ( MCTP ) ! ACO3+MCTP=HO2+...\n & + RKI( 325 ) * YC ( ORAP ) ! ACO3+ORAP=MO2+GLY\n & + RKI( 326 ) * YC ( OLNN ) ! ACO3+OLNN=HO2+...\n & + RKI( 327 ) * YC ( OLND ) ! ACO3+OLND=...\n & + RKI( 328 ) * YC ( ADCN ) ! ACO3+ADCN=HO2+...\n & + RKI( 329 ) * YC ( XO2 ) ! ACO3+XO2=MO2\n & + RKI( 345 ) * YC ( NO3 ) ! ACO3+NO3=MO2+NO2\n & + RKI( 392 ) * YC ( BDE13P ) ! ACO3+BDE13P=...\n & + RKI( 480 ) * YC ( VROCP6AROP ) ! ACO3+VROCP6AROP=...\n & + RKI( 486 ) * YC ( VROCP5AROP ) ! ACO3+VROCP5AROP=...\n & + RKI( 492 ) * YC ( NAPHP ) ! ACO3+NAPHP=...\n\nc..Loss frequency of PAN\n L9 = RKI( 37 ) ! PAN=ACO3+NO2\n & + RKI( 38 ) ! PAN=MO2+NO3\n & + RKI( 125 ) * YC ( HO ) ! PAN+HO=XO2+NO3+HCHO\n & + RKI( 168 ) ! PAN=ACO3+NO2\n\nc..K8_8, R8_9, and R9_8 terms\n K8_8 = RKI( 312 ) * DTC\n\n R8_9 = ( RKI( 37 )\n & + RKI( 168 ) ) * DTC \n\n R9_8 = ( RKI( 167 ) * YC( NO2 ) ) * DTC \n\nc..Solution of quadratic equation to get ACO3 & PAN\n CMN = 1.0 + L9 * DTC\n A = 2.0D0 * K8_8 * CMN\n B = CMN * ( 1.0D0 + L8 * DTC ) - R8_9 * R9_8\n C = CMN * ( YC0( ACO3 ) + P8 * DTC ) + R8_9 * YC0( PAN )\n\n Q = -0.5D0 * ( B + SIGN( 1.0D0, B ) * SQRT( B * B + 4.0D0 * A * C ) )\n\n YCP( ACO3 ) = MAX( Q / A , -C / Q )\n\n YCP( PAN ) = ( YC0( PAN ) + R9_8 * YCP( ACO3 ) ) / CMN\n\n RETURN\n\n END\n" }, { "path": "CCTM/src/gas/ebi_cracmm1_aq/hrg4.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE HRG4( DTC )\n\nC**********************************************************************\nC\nC FUNCTION: To solve for the concentration of NO3 and N2O5\nC\nC PRECONDITIONS: For the CRACMM1_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 14, 2022\nC\nC 18 Jul 14 B.Hutzell: revised to use real(8) variables\nC**********************************************************************\n USE HRDATA\n\n IMPLICIT NONE\n\n\nC..INCLUDES: NONE\n\n\nC..ARGUMENTS:\n REAL( 8 ), INTENT( IN ) :: DTC ! Time step\n\n\nC..PARAMETERS: NONE\n\n\nC..EXTERNAL FUNCTIONS: NONE\n\n\nC..SAVED LOCAL VARIABLES:\n! CHARACTER( 16 ), SAVE :: PNAME = 'HRG4' ! Program name\n\n\nC..SCRATCH LOCAL VARIABLES:\n REAL( 8 ) :: A, B, C, Q ! Quadratic equation terms\n REAL( 8 ) :: CMN ! Temp scalar\n REAL( 8 ) :: L15 ! Loss of NO3\n REAL( 8 ) :: L16 ! Loss of N2O5\n REAL( 8 ) :: P15 ! Production of NO3\n REAL( 8 ) :: K15_15 ! Kno3+no3 * delta t\n REAL( 8 ) :: R15_16 ! Kn2o5-->no3 * delta t\n REAL( 8 ) :: R16_15 ! Kno3+no2-->n2o5[NO2] * delta t\n\n\nC**********************************************************************\n\n\nc..Production of NO3 (except from N2O5 )\n P15 = 2.0000D-01 * RKI( 9 ) * YC ( HNO4 ) ! HNO4=0.2000D+00*NO3+...\n & + RKI( 38 ) * YC ( PAN ) ! PAN=NO3+MO2\n & + RKI( 42 ) * YCP( O3 ) * YCP( NO2 ) ! O3+NO2=NO3\n & + RKI( 60 ) * YCP( NO2 ) * YCP( O3P ) ! NO2+O3P=NO3\n & + RKI( 62 ) * YC ( HNO3 ) * YCP( HO ) ! HNO3+HO=NO3\n & + RKI( 125 ) * YC ( PAN ) * YCP( HO ) ! PAN+HO=NO3+XO2+HCHO\n & + RKI( 126 ) * YC ( PPN ) * YCP( HO ) ! PPN+HO=NO3+XO2+HCHO\n\nc..Loss frequency of NO3 ( except NO3 + NO3 if present )\n L15 = RKI( 5 ) ! NO3=NO\n & + RKI( 6 ) ! NO3=O3P+NO2\n & + RKI( 63 ) * YCP( HO ) ! NO3+HO=HO2+NO2\n & + RKI( 64 ) * YCP( HO2 ) ! NO3+HO2=0.7000D+...\n & + RKI( 65 ) * YCP( NO ) ! NO3+NO=0.2000D+...\n & + RKI( 66 ) * YCP( NO2 ) ! NO3+NO2=NO+NO2\n & + RKI( 68 ) * YCP( NO2 ) ! NO3+NO2=N2O5\n & + RKI( 147 ) * YC ( ETE ) ! NO3+ETE=0.8000D+...\n & + RKI( 148 ) * YC ( OLT ) ! NO3+OLT=0.4300D+...\n & + RKI( 149 ) * YC ( OLI ) ! NO3+OLI=0.1100D+...\n & + RKI( 150 ) * YC ( ISO ) ! NO3+ISO=ISON\n & + RKI( 151 ) * YC ( API ) ! NO3+API=0.9750D+...\n & + RKI( 152 ) * YC ( LIM ) ! NO3+LIM=0.9450D+...\n & + RKI( 153 ) * YC ( TRPN ) ! NO3+TRPN=HOM\n & + RKI( 154 ) * YC ( HCHO ) ! NO3+HCHO=HO2+CO+HNO3\n & + RKI( 155 ) * YC ( ACD ) ! NO3+ACD=ACO3+HNO3\n & + RKI( 156 ) * YC ( ALD ) ! NO3+ALD=RCO3+HNO3\n & + RKI( 157 ) * YC ( MACR ) ! NO3+MACR=0.6800D+...\n & + RKI( 158 ) * YC ( UALD ) ! NO3+UALD=HO2+XO2+...\n & + RKI( 159 ) * YC ( GLY ) ! NO3+GLY=HO2+...\n & + RKI( 160 ) * YC ( MGLY ) ! NO3+MGLY=ACO3+CO+...\n & + RKI( 161 ) * YC ( PHEN ) ! NO3+PHEN=0.1520D+...\n & + RKI( 162 ) * YC ( CSL ) ! NO3+CSL=0.2000D+...\n & + RKI( 163 ) * YC ( MCT ) ! NO3+MCT=MCTO+HNO3\n & + RKI( 164 ) * YC ( MPAN ) ! NO3+MPAN=MACP+NO2\n & + RKI( 331 ) * YC ( MO2 ) ! NO3+MO2=HO2+HCHO+NO2\n & + RKI( 332 ) * YC ( ETHP ) ! NO3+ETHP=HO2+NO2+ACD\n & + RKI( 333 ) * YC ( HC3P ) ! NO3+HC3P=0.2540D+...\n & + RKI( 334 ) * YC ( HC5P ) ! NO3+HC5P=0.4880D+...\n & + RKI( 335 ) * YC ( ETEP ) ! NO3+ETEP=HO2+NO2+...\n & + RKI( 336 ) * YC ( OLTP ) ! NO3+OLTP=0.4700D+...\n & + RKI( 337 ) * YC ( OLIP ) ! NO3+OLIP=0.8600D+...\n & + RKI( 338 ) * YC ( BENP ) ! NO3+BENP=NO2+HO2+...\n & + RKI( 339 ) * YC ( TOLP ) ! NO3+TOLP=NO2+...\n & + RKI( 340 ) * YC ( XYMP ) ! NO3+XYMP=NO2+...\n & + RKI( 341 ) * YC ( XYEP ) ! NO3+XYEP=NO2+...\n & + RKI( 342 ) * YC ( ISOP ) ! NO3+ISOP=HO2+NO2+...\n & + RKI( 343 ) * YC ( APIP1 ) ! NO3+APIP1=HO2+...\n & + RKI( 344 ) * YC ( LIMP1 ) ! NO3+LIMP1=HO2+...\n & + RKI( 345 ) * YC ( ACO3 ) ! NO3+ACO3=MO2+NO2\n & + RKI( 346 ) * YC ( RCO3 ) ! NO3+RCO3=ETHP+NO2\n & + RKI( 347 ) * YC ( ACTP ) ! NO3+ACTP=ACO3+...\n & + RKI( 348 ) * YC ( MEKP ) ! NO3+MEKP=0.6700D+...\n & + RKI( 349 ) * YC ( KETP ) ! NO3+KETP=HO2+NO2+...\n & + RKI( 350 ) * YC ( MACP ) ! NO3+MACP=HCHO+...\n & + RKI( 351 ) * YC ( MCP ) ! NO3+MCP=NO2+HO2+...\n & + RKI( 352 ) * YC ( MVKP ) ! NO3+MVKP=0.3000D+...\n & + RKI( 353 ) * YC ( UALP ) ! NO3+UALP=HO2+NO2+...\n & + RKI( 354 ) * YC ( BALP ) ! NO3+BALP=BAL1+NO2\n & + RKI( 355 ) * YC ( BAL1 ) ! NO3+BAL1=BAL2+NO2\n & + RKI( 356 ) * YC ( ADDC ) ! NO3+ADDC=HO2+NO2+...\n & + RKI( 357 ) * YC ( MCTP ) ! NO3+MCTP=NO2+MCTO\n & + RKI( 358 ) * YC ( ORAP ) ! NO3+ORAP=NO2+GLY+HO2\n & + RKI( 359 ) * YC ( OLNN ) ! NO3+OLNN=HO2+NO2+...\n & + RKI( 360 ) * YC ( OLND ) ! NO3+OLND=0.2000D+...\n & + RKI( 361 ) * YC ( ADCN ) ! NO3+ADCN=0.2000D+...\n & + RKI( 365 ) * YC ( XO2 ) ! NO3+XO2=NO2\n & + RKI( 385 ) * YC ( ACRO ) ! NO3+ACRO=0.6800D+...\n & + RKI( 389 ) * YC ( BDE13P ) ! NO3+BDE13P=HO2+...\n & + RKI( 394 ) * YC ( BDE13 ) ! NO3+BDE13=...\n & + RKI( 400 ) * YC ( FURAN ) ! NO3+FURAN=NO2+...\n & + RKI( 402 ) * YC ( SESQ ) ! NO3+SESQ=SESQNRO2\n & + RKI( 405 ) * YC ( SESQNRO2 ) ! NO3+SESQNRO2=...\n & + RKI( 409 ) * YC ( SESQRO2 ) ! NO3+SESQRO2=...\n & + RKI( 433 ) * YC ( VROCP6ALKP ) ! NO3+VROCP6ALKP=...\n & + RKI( 434 ) * YC ( VROCP5ALKP ) ! NO3+VROCP5ALKP=...\n & + RKI( 435 ) * YC ( VROCP4ALKP ) ! NO3+VROCP4ALKP=...\n & + RKI( 436 ) * YC ( VROCP3ALKP ) ! NO3+VROCP3ALKP=...\n & + RKI( 437 ) * YC ( VROCP2ALKP ) ! NO3+VROCP2ALKP=...\n & + RKI( 438 ) * YC ( VROCP1ALKP ) ! NO3+VROCP1ALKP=...\n & + RKI( 439 ) * YC ( HC10P ) ! NO3+HC10P=HC10P2+NO2\n & + RKI( 461 ) * YC ( VROCP6ALKP2 ) ! NO3+VROCP6ALKP2=...\n & + RKI( 462 ) * YC ( VROCP5ALKP2 ) ! NO3+VROCP5ALKP2=...\n & + RKI( 463 ) * YC ( VROCP4ALKP2 ) ! NO3+VROCP4ALKP2=...\n & + RKI( 464 ) * YC ( VROCP3ALKP2 ) ! NO3+VROCP3ALKP2=...\n & + RKI( 465 ) * YC ( VROCP2ALKP2 ) ! NO3+VROCP2ALKP2=...\n & + RKI( 466 ) * YC ( VROCP1ALKP2 ) ! NO3+VROCP1ALKP2=...\n & + RKI( 467 ) * YC ( HC10P2 ) ! NO3+HC10P2=NO2+...\n & + RKI( 478 ) * YC ( VROCP6AROP ) ! NO3+VROCP6AROP=...\n & + RKI( 484 ) * YC ( VROCP5AROP ) ! NO3+VROCP5AROP=...\n & + RKI( 490 ) * YC ( NAPHP ) ! NO3+NAPHP=NO2+...\n\nc..Loss frequency of N2O5\n L16 = RKI( 69 ) ! N2O5=NO2+NO3\n & + RKI( 70 ) ! N2O5=0.2000D+01*HNO3\n & + RKI( 413 ) ! N2O5=0.2000D+01*HNO3\n\nc..K15_15, R15_16, and R16_15 terms\n K15_15 = RKI( 67 ) * DTC\n\n R15_16 = ( RKI( 69 ) ) * DTC \n\n\n R16_15 = RKI( 68 ) * YCP( NO2 ) * DTC\n\nc..Solution of quadratic equation to get NO3 & N2O5\n CMN = 1.0D0 + L16 * DTC\n A = 2.0D0 * K15_15 * CMN\n B = CMN * ( 1.0D0 + L15 * DTC ) - R15_16 * R16_15\n C = CMN * ( YC0( NO3 ) + P15 * DTC ) + R15_16 * YC0( N2O5 )\n\n Q = -0.5D0 * ( B + SIGN( 1.0D0, B ) * SQRT( B * B + 4.0D0 * A * C ) )\n YCP( NO3 ) = MAX( Q / A , -C / Q )\n YCP( N2O5 ) = ( YC0( N2O5 ) + R16_15 * YCP( NO3 ) ) / CMN\n\n RETURN\n\n END\n" }, { "path": "CCTM/src/gas/ebi_cracmm1_aq/hrinit.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\n SUBROUTINE HRINIT\nC***********************************************************************\nC\nC FUNCTION: To initialize species tolerances, arrays, and indices\nC\nC PRECONDITIONS: For the CRACMM1_AQ mechanism\nC\nC RETURN VALUES: None\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 14, 2022\nC 21 Jun 10 J.Young: convert for Namelist redesign\nC 18 Jul 14 B.Hutzell: revised to use the RXNS_DATA and RXNS_FUNCTION\nC modules instead of include files\nC***********************************************************************\n\n USE UTILIO_DEFN\n USE HRDATA\n USE RXNS_DATA\n USE RXNS_FUNCTION\n\n IMPLICIT NONE\n\nC.....INCLUDES:\n Include SUBST_CONST ! common constants\n\nC.....ARGUMENTS: NONE\n\nC.....PARAMETERS: NONE\n\n\nC.....SAVED VARIABLES:\n CHARACTER( 16 ), SAVE :: PNAME = 'HRINIT' ! Program name\n\n\nC.....LOCAL VARIABLES:\n CHARACTER( 132 ) :: MSG ! Log message\n\n INTEGER N ! Loop index\n INTEGER IOS ! Allocate error status\n\nC***********************************************************************\n\n N_SPEC = NUMB_MECH_SPC\n N_RXNS = NRXNS\n N_SPCL_RKS = 0\n ALLOCATE( RKI( NRXNS ),\n & RKI_SAV( MAX_CELLS_EBI, NRXNS ),\n & FORWARD_CONV( NUMB_MECH_SPC),\n & REVERSE_CONV( NUMB_MECH_SPC),\n & RXRAT( NRXNS ),\n & RTOL( NUMB_MECH_SPC),\n & YC( NUMB_MECH_SPC),\n & YC0( NUMB_MECH_SPC),\n & YCP( NUMB_MECH_SPC),\n & PROD( NUMB_MECH_SPC),\n & LOSS( NUMB_MECH_SPC),\n & STAT = IOS )\n\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating RKI, RXRAT, RTOL, YC, YC0, YCP, FORWARD_CONV, '\n & // 'REVERSE_CONV, PROD, LOSS, or PNEG'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n ALLOCATE( ATMPRES( MAX_CELLS_EBI ),\n & H2O ( MAX_CELLS_EBI ),\n & TEMP ( MAX_CELLS_EBI ),\n & DENSITY( MAX_CELLS_EBI ),\n & HET ( MAX_CELLS_EBI, NHETERO ),\n & RJIN ( MAX_CELLS_EBI, NPHOTAB ),\n & SEAWATER ( MAX_CELLS_EBI ) ,\n & STAT = IOS )\n\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating ATMPRES, H2O, TEMP, HET, RJIN, SEAWATER '\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n IF( NSPECIAL .GT. 0 )THEN\n ALLOCATE( SYC( MAX_CELLS_EBI, NUMB_MECH_SPC ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating SYC'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n ALLOCATE( IOLD2NEW( NUMB_MECH_SPC, 1 ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating IOLD2NEW'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n DO N = 1, NUMB_MECH_SPC\n IOLD2NEW( N, 1 ) = N\n END DO\n END IF\n\n IF( .NOT. MAP_CHEMISTRY_SPECIES() )THEN\n MSG = 'Detected above error(s) when mapping Chemistry species from CGRID species'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n\n DO N = 1, NUMB_MECH_SPC\n FORWARD_CONV( N ) = 1.0E-3 * MWAIR / SPECIES_MOLWT( N )\n REVERSE_CONV( N ) = 1.0E+3 / MWAIR * SPECIES_MOLWT( N )\n END DO\n\n! initialize all reaction rates to zero so unused array elements are defined\n\n RXRAT = 0.0D0\n\n! initialize all production and loss rates to zero so unused array elements are defined\n\n PROD = 0.0D0\n LOSS = 0.0D0\n\n NING1 = 4\n NING2 = 4\n\n ALLOCATE( YCCELL( MODEL_SPECIES), STAT = IOS ) ! array for degradation routines\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating YCCELL '\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n\nc..Allocate and define ebi species\n\n N_EBISP = 165\n ALLOCATE( EBISP( N_EBISP ), STAT = IOS ) \n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating EBISP' \n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n EBISP( 1 ) = H2O2\n EBISP( 2 ) = HNO3\n EBISP( 3 ) = HCHO\n EBISP( 4 ) = CO\n EBISP( 5 ) = ACD\n EBISP( 6 ) = MO2\n EBISP( 7 ) = ALD\n EBISP( 8 ) = ETHP\n EBISP( 9 ) = ACT\n EBISP( 10 ) = UALD\n EBISP( 11 ) = KET\n EBISP( 12 ) = PINAL\n EBISP( 13 ) = HC10P\n EBISP( 14 ) = LIMAL\n EBISP( 15 ) = MEK\n EBISP( 16 ) = HKET\n EBISP( 17 ) = MACR\n EBISP( 18 ) = MACP\n EBISP( 19 ) = XO2\n EBISP( 20 ) = MVK\n EBISP( 21 ) = GLY\n EBISP( 22 ) = MGLY\n EBISP( 23 ) = DCB1\n EBISP( 24 ) = DCB2\n EBISP( 25 ) = BALD\n EBISP( 26 ) = CHO\n EBISP( 27 ) = OP1\n EBISP( 28 ) = OP2\n EBISP( 29 ) = OPB\n EBISP( 30 ) = OP3\n EBISP( 31 ) = PAA\n EBISP( 32 ) = ONIT\n EBISP( 33 ) = SO2\n EBISP( 34 ) = SULF\n EBISP( 35 ) = SULRXN\n EBISP( 36 ) = ETH\n EBISP( 37 ) = HC3\n EBISP( 38 ) = HC3P\n EBISP( 39 ) = ASOATJ\n EBISP( 40 ) = HC5\n EBISP( 41 ) = HC5P\n EBISP( 42 ) = ETE\n EBISP( 43 ) = ETEP\n EBISP( 44 ) = OLT\n EBISP( 45 ) = OLTP\n EBISP( 46 ) = OLI\n EBISP( 47 ) = OLIP\n EBISP( 48 ) = ACE\n EBISP( 49 ) = ORA1\n EBISP( 50 ) = BEN\n EBISP( 51 ) = BENP\n EBISP( 52 ) = PHEN\n EBISP( 53 ) = TOL\n EBISP( 54 ) = TOLP\n EBISP( 55 ) = CSL\n EBISP( 56 ) = XYM\n EBISP( 57 ) = XYMP\n EBISP( 58 ) = XYE\n EBISP( 59 ) = XYEP\n EBISP( 60 ) = ISO\n EBISP( 61 ) = ISOP\n EBISP( 62 ) = API\n EBISP( 63 ) = APIP1\n EBISP( 64 ) = APIP2\n EBISP( 65 ) = LIM\n EBISP( 66 ) = LIMP1\n EBISP( 67 ) = LIMP2\n EBISP( 68 ) = PINALP\n EBISP( 69 ) = RCO3\n EBISP( 70 ) = LIMALP\n EBISP( 71 ) = ACTP\n EBISP( 72 ) = MEKP\n EBISP( 73 ) = KETP\n EBISP( 74 ) = MCP\n EBISP( 75 ) = MVKP\n EBISP( 76 ) = UALP\n EBISP( 77 ) = DCB3\n EBISP( 78 ) = BALP\n EBISP( 79 ) = ADDC\n EBISP( 80 ) = MCT\n EBISP( 81 ) = MCTO\n EBISP( 82 ) = MOH\n EBISP( 83 ) = EOH\n EBISP( 84 ) = ROH\n EBISP( 85 ) = ETEG\n EBISP( 86 ) = ISHP\n EBISP( 87 ) = IEPOX\n EBISP( 88 ) = MAHP\n EBISP( 89 ) = ORA2\n EBISP( 90 ) = ORAP\n EBISP( 91 ) = PPN\n EBISP( 92 ) = MPAN\n EBISP( 93 ) = TRPN\n EBISP( 94 ) = HOM\n EBISP( 95 ) = NALD\n EBISP( 96 ) = ISON\n EBISP( 97 ) = MCTP\n EBISP( 98 ) = OLNN\n EBISP( 99 ) = OLND\n EBISP( 100 ) = APINP1\n EBISP( 101 ) = APINP2\n EBISP( 102 ) = LIMNP1\n EBISP( 103 ) = LIMNP2\n EBISP( 104 ) = ADCN\n EBISP( 105 ) = VROCP4OXY2\n EBISP( 106 ) = VROCN1OXY6\n EBISP( 107 ) = FURANONE\n EBISP( 108 ) = VROCP3OXY2\n EBISP( 109 ) = VROCP0OXY4\n EBISP( 110 ) = BAL1\n EBISP( 111 ) = BAL2\n EBISP( 112 ) = ELHOM\n EBISP( 113 ) = VROCIOXY\n EBISP( 114 ) = SLOWROC\n EBISP( 115 ) = ACRO\n EBISP( 116 ) = BDE13\n EBISP( 117 ) = BDE13P\n EBISP( 118 ) = FURAN\n EBISP( 119 ) = FURANO2\n EBISP( 120 ) = PROG\n EBISP( 121 ) = SESQ\n EBISP( 122 ) = SESQNRO2\n EBISP( 123 ) = VROCN2OXY2\n EBISP( 124 ) = SESQRO2\n EBISP( 125 ) = VROCP0OXY2\n EBISP( 126 ) = VROCP1OXY3\n EBISP( 127 ) = AGLYJ\n EBISP( 128 ) = IEPOXP\n EBISP( 129 ) = AISO3NOSJ\n EBISP( 130 ) = ASO4J\n EBISP( 131 ) = AISO3OSJ\n EBISP( 132 ) = VROCP6ALK\n EBISP( 133 ) = VROCP6ALKP\n EBISP( 134 ) = VROCP5ALK\n EBISP( 135 ) = VROCP5ALKP\n EBISP( 136 ) = VROCP4ALK\n EBISP( 137 ) = VROCP4ALKP\n EBISP( 138 ) = VROCP3ALK\n EBISP( 139 ) = VROCP3ALKP\n EBISP( 140 ) = VROCP2ALK\n EBISP( 141 ) = VROCP2ALKP\n EBISP( 142 ) = VROCP1ALK\n EBISP( 143 ) = VROCP1ALKP\n EBISP( 144 ) = HC10\n EBISP( 145 ) = VROCP6ALKP2\n EBISP( 146 ) = VROCP5ALKP2\n EBISP( 147 ) = VROCP4ALKP2\n EBISP( 148 ) = VROCP2OXY2\n EBISP( 149 ) = VROCP3ALKP2\n EBISP( 150 ) = VROCP1OXY1\n EBISP( 151 ) = VROCP2ALKP2\n EBISP( 152 ) = VROCP1ALKP2\n EBISP( 153 ) = VROCN1OXY1\n EBISP( 154 ) = HC10P2\n EBISP( 155 ) = VROCP6ARO\n EBISP( 156 ) = VROCP6AROP\n EBISP( 157 ) = VROCN2OXY4\n EBISP( 158 ) = VROCN1OXY3\n EBISP( 159 ) = VROCP5ARO\n EBISP( 160 ) = VROCP5AROP\n EBISP( 161 ) = NAPH\n EBISP( 162 ) = NAPHP\n EBISP( 163 ) = VROCN2OXY8\n EBISP( 164 ) = VROCP5OXY1\n EBISP( 165 ) = VROCP6OXY1\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Set species tolerances\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n RTOL( O3 ) = 5.0D-04\n RTOL( O3P ) = 1.0D+00\n RTOL( O1D ) = 1.0D+00\n RTOL( H2O2 ) = 5.0D-04\n RTOL( HO ) = 5.0D-04\n RTOL( NO2 ) = 5.0D-04\n RTOL( NO ) = 5.0D-04\n RTOL( NO3 ) = 5.0D-04\n RTOL( HONO ) = 5.0D-04\n RTOL( HNO3 ) = 5.0D-04\n RTOL( HNO4 ) = 5.0D-04\n RTOL( HO2 ) = 5.0D-04\n RTOL( HCHO ) = 5.0D-04\n RTOL( CO ) = 5.0D-04\n RTOL( ACD ) = 5.0D-04\n RTOL( MO2 ) = 5.0D-04\n RTOL( ALD ) = 5.0D-04\n RTOL( ETHP ) = 5.0D-04\n RTOL( ACT ) = 5.0D-04\n RTOL( ACO3 ) = 5.0D-04\n RTOL( UALD ) = 5.0D-04\n RTOL( KET ) = 5.0D-04\n RTOL( PINAL ) = 5.0D-04\n RTOL( HC10P ) = 5.0D-04\n RTOL( LIMAL ) = 5.0D-04\n RTOL( MEK ) = 5.0D-04\n RTOL( HKET ) = 5.0D-04\n RTOL( MACR ) = 5.0D-04\n RTOL( MACP ) = 5.0D-04\n RTOL( XO2 ) = 5.0D-04\n RTOL( MVK ) = 5.0D-04\n RTOL( GLY ) = 5.0D-04\n RTOL( MGLY ) = 5.0D-04\n RTOL( DCB1 ) = 5.0D-04\n RTOL( DCB2 ) = 5.0D-04\n RTOL( BALD ) = 5.0D-04\n RTOL( CHO ) = 5.0D-04\n RTOL( OP1 ) = 5.0D-04\n RTOL( OP2 ) = 5.0D-04\n RTOL( OPB ) = 5.0D-04\n RTOL( OP3 ) = 5.0D-04\n RTOL( PAA ) = 5.0D-04\n RTOL( ONIT ) = 5.0D-04\n RTOL( PAN ) = 5.0D-04\n RTOL( N2O5 ) = 5.0D-04\n RTOL( SO2 ) = 5.0D-04\n RTOL( SULF ) = 1.0D+00\n RTOL( SULRXN ) = 1.0D+00\n RTOL( ETH ) = 5.0D-04\n RTOL( HC3 ) = 5.0D-04\n RTOL( HC3P ) = 5.0D-04\n RTOL( ASOATJ ) = 5.0D-04\n RTOL( HC5 ) = 5.0D-04\n RTOL( HC5P ) = 5.0D-04\n RTOL( ETE ) = 5.0D-04\n RTOL( ETEP ) = 5.0D-04\n RTOL( OLT ) = 5.0D-04\n RTOL( OLTP ) = 5.0D-04\n RTOL( OLI ) = 5.0D-04\n RTOL( OLIP ) = 5.0D-04\n RTOL( ACE ) = 5.0D-04\n RTOL( ORA1 ) = 5.0D-04\n RTOL( BEN ) = 5.0D-04\n RTOL( BENP ) = 5.0D-04\n RTOL( PHEN ) = 5.0D-04\n RTOL( TOL ) = 5.0D-04\n RTOL( TOLP ) = 5.0D-04\n RTOL( CSL ) = 5.0D-04\n RTOL( XYM ) = 5.0D-04\n RTOL( XYMP ) = 5.0D-04\n RTOL( XYE ) = 5.0D-04\n RTOL( XYEP ) = 5.0D-04\n RTOL( ISO ) = 5.0D-04\n RTOL( ISOP ) = 5.0D-04\n RTOL( API ) = 5.0D-04\n RTOL( APIP1 ) = 5.0D-04\n RTOL( APIP2 ) = 5.0D-04\n RTOL( LIM ) = 5.0D-04\n RTOL( LIMP1 ) = 5.0D-04\n RTOL( LIMP2 ) = 5.0D-04\n RTOL( PINALP ) = 5.0D-04\n RTOL( RCO3 ) = 5.0D-04\n RTOL( LIMALP ) = 5.0D-04\n RTOL( ACTP ) = 5.0D-04\n RTOL( MEKP ) = 5.0D-04\n RTOL( KETP ) = 5.0D-04\n RTOL( MCP ) = 5.0D-04\n RTOL( MVKP ) = 5.0D-04\n RTOL( UALP ) = 5.0D-04\n RTOL( DCB3 ) = 5.0D-04\n RTOL( BALP ) = 5.0D-04\n RTOL( ADDC ) = 5.0D-04\n RTOL( MCT ) = 5.0D-04\n RTOL( MCTO ) = 5.0D-04\n RTOL( MOH ) = 5.0D-04\n RTOL( EOH ) = 5.0D-04\n RTOL( ROH ) = 5.0D-04\n RTOL( ETEG ) = 5.0D-04\n RTOL( ISHP ) = 5.0D-04\n RTOL( IEPOX ) = 5.0D-04\n RTOL( MAHP ) = 5.0D-04\n RTOL( ORA2 ) = 5.0D-04\n RTOL( ORAP ) = 5.0D-04\n RTOL( PPN ) = 5.0D-04\n RTOL( MPAN ) = 5.0D-04\n RTOL( TRPN ) = 5.0D-04\n RTOL( HOM ) = 5.0D-04\n RTOL( NALD ) = 5.0D-04\n RTOL( ISON ) = 5.0D-04\n RTOL( MCTP ) = 5.0D-04\n RTOL( OLNN ) = 5.0D-04\n RTOL( OLND ) = 5.0D-04\n RTOL( APINP1 ) = 5.0D-04\n RTOL( APINP2 ) = 5.0D-04\n RTOL( LIMNP1 ) = 5.0D-04\n RTOL( LIMNP2 ) = 5.0D-04\n RTOL( ADCN ) = 5.0D-04\n RTOL( VROCP4OXY2 ) = 5.0D-04\n RTOL( VROCN1OXY6 ) = 5.0D-04\n RTOL( FURANONE ) = 5.0D-04\n RTOL( VROCP3OXY2 ) = 5.0D-04\n RTOL( VROCP0OXY4 ) = 5.0D-04\n RTOL( BAL1 ) = 5.0D-04\n RTOL( BAL2 ) = 5.0D-04\n RTOL( ELHOM ) = 5.0D-04\n RTOL( VROCIOXY ) = 5.0D-04\n RTOL( SLOWROC ) = 5.0D-04\n RTOL( ACRO ) = 5.0D-04\n RTOL( BDE13 ) = 5.0D-04\n RTOL( BDE13P ) = 5.0D-04\n RTOL( FURAN ) = 5.0D-04\n RTOL( FURANO2 ) = 5.0D-04\n RTOL( PROG ) = 5.0D-04\n RTOL( SESQ ) = 5.0D-04\n RTOL( SESQNRO2 ) = 5.0D-04\n RTOL( VROCN2OXY2 ) = 5.0D-04\n RTOL( SESQRO2 ) = 5.0D-04\n RTOL( VROCP0OXY2 ) = 5.0D-04\n RTOL( VROCP1OXY3 ) = 5.0D-04\n RTOL( AGLYJ ) = 5.0D-04\n RTOL( IEPOXP ) = 5.0D-04\n RTOL( AISO3NOSJ ) = 5.0D-04\n RTOL( ASO4J ) = 5.0D-04\n RTOL( AISO3OSJ ) = 5.0D-04\n RTOL( VROCP6ALK ) = 5.0D-04\n RTOL( VROCP6ALKP ) = 5.0D-04\n RTOL( VROCP5ALK ) = 5.0D-04\n RTOL( VROCP5ALKP ) = 5.0D-04\n RTOL( VROCP4ALK ) = 5.0D-04\n RTOL( VROCP4ALKP ) = 5.0D-04\n RTOL( VROCP3ALK ) = 5.0D-04\n RTOL( VROCP3ALKP ) = 5.0D-04\n RTOL( VROCP2ALK ) = 5.0D-04\n RTOL( VROCP2ALKP ) = 5.0D-04\n RTOL( VROCP1ALK ) = 5.0D-04\n RTOL( VROCP1ALKP ) = 5.0D-04\n RTOL( HC10 ) = 5.0D-04\n RTOL( VROCP6ALKP2 ) = 5.0D-04\n RTOL( VROCP5ALKP2 ) = 5.0D-04\n RTOL( VROCP4ALKP2 ) = 5.0D-04\n RTOL( VROCP2OXY2 ) = 5.0D-04\n RTOL( VROCP3ALKP2 ) = 5.0D-04\n RTOL( VROCP1OXY1 ) = 5.0D-04\n RTOL( VROCP2ALKP2 ) = 5.0D-04\n RTOL( VROCP1ALKP2 ) = 5.0D-04\n RTOL( VROCN1OXY1 ) = 5.0D-04\n RTOL( HC10P2 ) = 5.0D-04\n RTOL( VROCP6ARO ) = 5.0D-04\n RTOL( VROCP6AROP ) = 5.0D-04\n RTOL( VROCN2OXY4 ) = 5.0D-04\n RTOL( VROCN1OXY3 ) = 5.0D-04\n RTOL( VROCP5ARO ) = 5.0D-04\n RTOL( VROCP5AROP ) = 5.0D-04\n RTOL( NAPH ) = 5.0D-04\n RTOL( NAPHP ) = 5.0D-04\n RTOL( VROCN2OXY8 ) = 5.0D-04\n RTOL( VROCP5OXY1 ) = 5.0D-04\n RTOL( VROCP6OXY1 ) = 5.0D-04\n\n\n RETURN\n\n END\n" }, { "path": "CCTM/src/gas/ebi_cracmm1_aq/hrprodloss.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE HRPRODLOSS\n\nC***********************************************************************\nC\nC FUNCTION: To compute the production and loss rates for EBI species\nC\nC PRECONDITIONS: For the CRACMM1_AQ mechanism\nC\nC RETURN VALUES: None\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 14, 2022\nC\nC 18 Jul 14 B.Hutzell: revised to use real(8) variables\n\nC***********************************************************************\n USE HRDATA\n\n IMPLICIT NONE\n\n\nC.....INCLUDES: NONE\n\n\nC.....ARGUMENTS: NONE\n\n\nC.....PARAMETERS: NONE\n\n\nC.....EXTERNAL FUNCTIONS: NONE\n\n\nC.....SAVED VARIABLES: NONE\n! CHARACTER( 16 ), SAVE :: PNAME = 'HRPRODLOSS' ! Program name\n\n\nC.....LOCAL VARIABLES:\n\n\nC***********************************************************************\n\n\n PROD( H2O2 ) = RXRAT( 50 ) ! HO2+HO2=H2O2\n & + RXRAT( 51 ) ! HO2+HO2=H2O2\n & + 6.8000D-02 * RXRAT( 133 ) ! OLT+O3=0.6800D-01*H2O2+...\n & + 2.6000D-02 * RXRAT( 134 ) ! OLI+O3=0.2600D-01*H2O2+...\n & + 9.0000D-02 * RXRAT( 135 ) ! ISO+O3=0.9000D-01*H2O2+...\n & + 5.0000D-02 * RXRAT( 136 ) ! API+O3=0.5000D-01*H2O2+...\n & + 5.0000D-02 * RXRAT( 137 ) ! LIM+O3=0.5000D-01*H2O2+...\n LOSS( H2O2 ) = RXRAT( 3 ) ! H2O2=0.2000D+01*HO\n & + RXRAT( 52 ) ! H2O2+HO=HO2\n\n PROD( HNO3 ) = RXRAT( 56 ) ! NO+HO2=HNO3\n & + RXRAT( 61 ) ! NO2+HO=HNO3\n & + 3.0000D-01 * RXRAT( 64 ) ! NO3+HO2=0.3000D+00*HNO3+...\n & + 2.0000D+00 * RXRAT( 70 ) ! N2O5=0.2000D+01*HNO3\n & + RXRAT( 154 ) ! HCHO+NO3=HNO3+CO+HO2\n & + RXRAT( 155 ) ! ACD+NO3=HNO3+ACO3\n & + RXRAT( 156 ) ! ALD+NO3=HNO3+RCO3\n & + 3.2000D-01 * RXRAT( 157 ) ! MACR+NO3=0.3200D+00*HNO3+...\n & + RXRAT( 159 ) ! GLY+NO3=HNO3+0.2000D+01*CO+HO2\n & + RXRAT( 160 ) ! MGLY+NO3=HNO3+CO+ACO3\n & + 4.2400D-01 * RXRAT( 161 ) ! PHEN+NO3=0.4240D+00*HNO3+...\n & + 4.0000D-01 * RXRAT( 162 ) ! CSL+NO3=0.4000D+00*HNO3+...\n & + RXRAT( 163 ) ! MCT+NO3=HNO3+MCTO\n & + 3.2000D-01 * RXRAT( 385 ) ! ACRO+NO3=0.3200D+00*HNO3+...\n & + 2.0000D+00 * RXRAT( 413 ) ! N2O5=0.2000D+01*HNO3\n & + 5.0000D-01 * RXRAT( 414 ) ! NO2=0.5000D+00*HNO3+...\n LOSS( HNO3 ) = RXRAT( 8 ) ! HNO3=HO+NO2\n & + RXRAT( 62 ) ! HNO3+HO=NO3\n\n PROD( HCHO ) = 3.5000D-01 * RXRAT( 16 ) ! UALD=0.3500D+00*HCHO+...\n & + RXRAT( 21 ) ! HKET=HCHO+ACO3+HO2\n & + 6.7000D-01 * RXRAT( 22 ) ! MACR=0.6700D+00*HCHO+...\n & + RXRAT( 25 ) ! GLY=HCHO+CO\n & + RXRAT( 31 ) ! OP1=HCHO+HO2+HO\n & + RXRAT( 112 ) ! MOH+HO=HCHO+HO2\n & + 3.5000D-01 * RXRAT( 116 ) ! OP1+HO=0.3500D+00*HCHO+...\n & + 3.5000D-01 * RXRAT( 124 ) ! PAA+HO=0.3500D+00*HCHO+...\n & + RXRAT( 125 ) ! PAN+HO=HCHO+NO3+XO2\n & + RXRAT( 126 ) ! PPN+HO=HCHO+NO3+XO2\n & + 7.0000D-02 * RXRAT( 131 ) ! ISON+HO=0.7000D-01*HCHO+...\n & + RXRAT( 132 ) ! ETE+O3=HCHO+0.1500D+00*HO2+...\n & + 5.6000D-01 * RXRAT( 133 ) ! OLT+O3=0.5600D+00*HCHO+...\n & + 9.0000D-02 * RXRAT( 134 ) ! OLI+O3=0.9000D-01*HCHO+...\n & + 5.8000D-01 * RXRAT( 135 ) ! ISO+O3=0.5800D+00*HCHO+...\n & + 7.9000D-01 * RXRAT( 138 ) ! LIMAL+O3=0.7900D+00*HCHO+...\n & + 1.0000D-01 * RXRAT( 141 ) ! MVK+O3=0.1000D+00*HCHO+...\n & + 8.0000D-02 * RXRAT( 142 ) ! UALD+O3=0.8000D-01*HCHO+...\n & + 5.0000D-02 * RXRAT( 143 ) ! DCB1+O3=0.5000D-01*HCHO+...\n & + 5.0000D-02 * RXRAT( 144 ) ! DCB2+O3=0.5000D-01*HCHO+...\n & + 6.8000D-01 * RXRAT( 157 ) ! MACR+NO3=0.6800D+00*HCHO+...\n & + 3.3200D-01 * RXRAT( 158 ) ! UALD+NO3=0.3320D+00*HCHO+...\n & + RXRAT( 173 ) ! MO2+NO=HCHO+NO2+HO2\n & + 1.8000D-02 * RXRAT( 176 ) ! HC5P+NO=0.1800D-01*HCHO+...\n & + 1.6000D+00 * RXRAT( 177 ) ! ETEP+NO=0.1600D+01*HCHO+...\n & + 7.8000D-01 * RXRAT( 178 ) ! OLTP+NO=0.7800D+00*HCHO+...\n & + 2.0000D-01 * RXRAT( 184 ) ! ISOP+NO=0.2000D+00*HCHO+...\n & + 2.8000D-01 * RXRAT( 189 ) ! LIMP1+NO=0.2800D+00*HCHO+...\n & + 9.5000D-01 * RXRAT( 193 ) ! PINALP+NO=0.9500D+00*HCHO+...\n & + 9.4000D-01 * RXRAT( 194 ) ! LIMALP+NO=0.9400D+00*HCHO+...\n & + RXRAT( 197 ) ! ACTP+NO=HCHO+NO2+ACO3\n & + 3.3000D-01 * RXRAT( 198 ) ! MEKP+NO=0.3300D+00*HCHO+...\n & + 6.5000D-01 * RXRAT( 200 ) ! MACP+NO=0.6500D+00*HCHO+...\n & + 5.0000D-01 * RXRAT( 201 ) ! MCP+NO=0.5000D+00*HCHO+...\n & + 3.0000D-01 * RXRAT( 202 ) ! MVKP+NO=0.3000D+00*HCHO+...\n & + 3.0000D-02 * RXRAT( 203 ) ! UALP+NO=0.3000D-01*HCHO+...\n & + 2.8700D-01 * RXRAT( 210 ) ! OLND+NO=0.2870D+00*HCHO+...\n & + 1.5000D-01 * RXRAT( 240 ) ! ACTP+HO2=0.1500D+00*HCHO+...\n & + 1.3700D+00 * RXRAT( 255 ) ! MO2+MO2=0.1370D+01*HCHO+...\n & + 7.5000D-01 * RXRAT( 256 ) ! ETHP+MO2=0.7500D+00*HCHO+...\n & + 8.2700D-01 * RXRAT( 257 ) ! HC3P+MO2=0.8270D+00*HCHO+...\n & + 7.7700D-01 * RXRAT( 258 ) ! HC5P+MO2=0.7770D+00*HCHO+...\n & + 1.9500D+00 * RXRAT( 259 ) ! ETEP+MO2=0.1950D+01*HCHO+...\n & + 1.5000D+00 * RXRAT( 260 ) ! OLTP+MO2=0.1500D+01*HCHO+...\n & + 7.5000D-01 * RXRAT( 261 ) ! OLIP+MO2=0.7500D+00*HCHO+...\n & + 6.8000D-01 * RXRAT( 262 ) ! BENP+MO2=0.6800D+00*HCHO+...\n & + 6.8000D-01 * RXRAT( 263 ) ! TOLP+MO2=0.6800D+00*HCHO+...\n & + 6.8000D-01 * RXRAT( 264 ) ! XYMP+MO2=0.6800D+00*HCHO+...\n & + 6.8000D-01 * RXRAT( 265 ) ! XYEP+MO2=0.6800D+00*HCHO+...\n & + 1.3100D+00 * RXRAT( 266 ) ! ISOP+MO2=0.1310D+01*HCHO+...\n & + 6.8000D-01 * RXRAT( 267 ) ! APIP1+MO2=0.6800D+00*HCHO+...\n & + 7.5000D-01 * RXRAT( 268 ) ! APIP2+MO2=0.7500D+00*HCHO+...\n & + 6.8000D-01 * RXRAT( 269 ) ! APINP1+MO2=0.6800D+00*HCHO+...\n & + 7.5000D-01 * RXRAT( 270 ) ! APINP2+MO2=0.7500D+00*HCHO+...\n & + RXRAT( 271 ) ! LIMP1+MO2=HCHO+HO2+0.4200D+...\n & + 7.5000D-01 * RXRAT( 272 ) ! LIMP2+MO2=0.7500D+00*HCHO+...\n & + 6.8000D-01 * RXRAT( 273 ) ! LIMNP1+MO2=0.6800D+00*HCHO+...\n & + 7.5000D-01 * RXRAT( 274 ) ! LIMNP2+MO2=0.7500D+00*HCHO+...\n & + RXRAT( 275 ) ! ACO3+MO2=HCHO+0.9000D+...\n & + RXRAT( 276 ) ! RCO3+MO2=HCHO+0.9000D+...\n & + 1.5000D+00 * RXRAT( 277 ) ! ACTP+MO2=0.1500D+01*HCHO+...\n & + RXRAT( 278 ) ! MEKP+MO2=HCHO+0.8340D+...\n & + 7.5000D-01 * RXRAT( 279 ) ! KETP+MO2=0.7500D+00*HCHO+...\n & + 1.6600D+00 * RXRAT( 280 ) ! MACP+MO2=0.1660D+01*HCHO+...\n & + 1.5000D+00 * RXRAT( 281 ) ! MCP+MO2=0.1500D+01*HCHO+...\n & + 1.5000D+00 * RXRAT( 282 ) ! MVKP+MO2=0.1500D+01*HCHO+...\n & + 7.7300D-01 * RXRAT( 283 ) ! UALP+MO2=0.7730D+00*HCHO+...\n & + RXRAT( 284 ) ! BALP+MO2=HCHO+BAL1+HO2\n & + RXRAT( 285 ) ! BAL1+MO2=HCHO+BAL2+HO2\n & + RXRAT( 286 ) ! ADDC+MO2=HCHO+0.2000D+...\n & + RXRAT( 287 ) ! MCTP+MO2=HCHO+MCTO+HO2\n & + RXRAT( 288 ) ! ORAP+MO2=HCHO+HO2+GLY\n & + RXRAT( 289 ) ! OLNN+MO2=HCHO+0.2000D+...\n & + 9.6500D-01 * RXRAT( 290 ) ! OLND+MO2=0.9650D+00*HCHO+...\n & + RXRAT( 291 ) ! ADCN+MO2=HCHO+0.7000D+...\n & + RXRAT( 292 ) ! XO2+MO2=HCHO+HO2\n & + 1.3000D-01 * RXRAT( 294 ) ! HC3P+ACO3=0.1300D+00*HCHO+...\n & + 4.2000D-02 * RXRAT( 295 ) ! HC5P+ACO3=0.4200D-01*HCHO+...\n & + 1.6000D+00 * RXRAT( 296 ) ! ETEP+ACO3=0.1600D+01*HCHO+...\n & + RXRAT( 297 ) ! OLTP+ACO3=HCHO+0.5000D+...\n & + 1.0480D+00 * RXRAT( 303 ) ! ISOP+ACO3=0.1048D+01*HCHO+...\n & + 3.2000D-01 * RXRAT( 308 ) ! LIMP1+ACO3=0.3200D+00*HCHO+...\n & + RXRAT( 314 ) ! ACTP+ACO3=HCHO+0.5000D+...\n & + 3.3000D-01 * RXRAT( 315 ) ! MEKP+ACO3=0.3300D+00*HCHO+...\n & + RXRAT( 317 ) ! MACP+ACO3=HCHO+0.5000D+...\n & + RXRAT( 318 ) ! MCP+ACO3=HCHO+0.5000D+...\n & + RXRAT( 319 ) ! MVKP+ACO3=HCHO+0.5000D+...\n & + 3.0000D-02 * RXRAT( 320 ) ! UALP+ACO3=0.3000D-01*HCHO+...\n & + 2.8700D-01 * RXRAT( 327 ) ! OLND+ACO3=0.2870D+00*HCHO+...\n & + RXRAT( 331 ) ! MO2+NO3=HCHO+HO2+NO2\n & + 2.4000D-02 * RXRAT( 334 ) ! HC5P+NO3=0.2400D-01*HCHO+...\n & + 1.6000D+00 * RXRAT( 335 ) ! ETEP+NO3=0.1600D+01*HCHO+...\n & + 7.9000D-01 * RXRAT( 336 ) ! OLTP+NO3=0.7900D+00*HCHO+...\n & + 7.5000D-01 * RXRAT( 342 ) ! ISOP+NO3=0.7500D+00*HCHO+...\n & + 3.8500D-01 * RXRAT( 344 ) ! LIMP1+NO3=0.3850D+00*HCHO+...\n & + RXRAT( 347 ) ! ACTP+NO3=HCHO+NO2+ACO3\n & + 3.3000D-01 * RXRAT( 348 ) ! MEKP+NO3=0.3300D+00*HCHO+...\n & + RXRAT( 350 ) ! MACP+NO3=HCHO+0.5380D+...\n & + RXRAT( 351 ) ! MCP+NO3=HCHO+HO2+NO2+HKET\n & + 3.0000D-01 * RXRAT( 352 ) ! MVKP+NO3=0.3000D+00*HCHO+...\n & + 3.0000D-02 * RXRAT( 353 ) ! UALP+NO3=0.3000D-01*HCHO+...\n & + 2.8700D-01 * RXRAT( 360 ) ! OLND+NO3=0.2870D+00*HCHO+...\n & + 2.0200D-01 * RXRAT( 363 ) ! OLNN+OLND=0.2020D+00*HCHO+...\n & + 5.0400D-01 * RXRAT( 364 ) ! OLND+OLND=0.5040D+00*HCHO+...\n & + 4.8000D-01 * RXRAT( 370 ) ! APIP2+ISOP=0.4800D+00*HCHO+...\n & + 4.8000D-01 * RXRAT( 373 ) ! LIMP2+ISOP=0.4800D+00*HCHO+...\n & + 4.8000D-01 * RXRAT( 376 ) ! APINP2+ISOP=0.4800D+...\n & + 4.8000D-01 * RXRAT( 379 ) ! LIMNP2+ISOP=0.4800D+...\n & + 7.2000D-01 * RXRAT( 384 ) ! ACRO+O3=0.7200D+00*HCHO+...\n & + 6.8000D-01 * RXRAT( 385 ) ! ACRO+NO3=0.6800D+00*HCHO+...\n & + 1.5000D-01 * RXRAT( 386 ) ! ACRO=0.1500D+00*HCHO+...\n & + 8.9500D-01 * RXRAT( 388 ) ! BDE13P+NO=0.8950D+00*HCHO+...\n & + 9.2500D-01 * RXRAT( 389 ) ! BDE13P+NO3=0.9250D+00*HCHO+...\n & + 1.1430D+00 * RXRAT( 391 ) ! BDE13P+MO2=0.1143D+01*HCHO+...\n & + 7.4000D-01 * RXRAT( 392 ) ! BDE13P+ACO3=0.7400D+...\n & + 8.3000D-01 * RXRAT( 393 ) ! BDE13+O3=0.8300D+00*HCHO+...\n & + 6.8000D-01 * RXRAT( 479 ) ! VROCP6AROP+MO2=0.6800D+...\n & + 6.8000D-01 * RXRAT( 485 ) ! VROCP5AROP+MO2=0.6800D+...\n & + 6.8000D-01 * RXRAT( 491 ) ! NAPHP+MO2=0.6800D+00*HCHO+...\n LOSS( HCHO ) = RXRAT( 10 ) ! HCHO=CO\n & + RXRAT( 11 ) ! HCHO=0.2000D+01*HO2+CO\n & + RXRAT( 93 ) ! HCHO+HO=HO2+CO\n & + RXRAT( 154 ) ! HCHO+NO3=HO2+CO+HNO3\n\n PROD( CO ) = RXRAT( 10 ) ! HCHO=CO\n & + RXRAT( 11 ) ! HCHO=CO+0.2000D+01*HO2\n & + RXRAT( 12 ) ! ACD=CO+MO2+HO2\n & + RXRAT( 13 ) ! ALD=CO+ETHP+HO2\n & + RXRAT( 15 ) ! ACT=CO+0.2000D+01*MO2\n & + 1.2200D+00 * RXRAT( 16 ) ! UALD=0.1220D+01*CO+0.7840D+...\n & + RXRAT( 17 ) ! PINAL=CO+HC10P+HO2\n & + RXRAT( 18 ) ! LIMAL=CO+HC10P+HO2\n & + 1.0000D-01 * RXRAT( 19 ) ! MEK=0.1000D+00*CO+ETHP+...\n & + 5.0000D-01 * RXRAT( 20 ) ! KET=0.5000D+00*CO+0.5000D+...\n & + 6.7000D-01 * RXRAT( 22 ) ! MACR=0.6700D+00*CO+0.6600D+...\n & + 7.0000D-01 * RXRAT( 23 ) ! MVK=0.7000D+00*CO+0.3000D+...\n & + 2.0000D+00 * RXRAT( 24 ) ! GLY=0.2000D+01*CO\n & + RXRAT( 25 ) ! GLY=CO+HCHO\n & + 2.0000D+00 * RXRAT( 26 ) ! GLY=0.2000D+01*CO+0.2000D+...\n & + RXRAT( 27 ) ! MGLY=CO+ACO3+HO2\n & + RXRAT( 28 ) ! DCB1=CO+0.2500D+00*ACO3+...\n & + RXRAT( 29 ) ! DCB2=CO+0.2500D+00*ACO3+...\n & + RXRAT( 30 ) ! BALD=CO+HO2+CHO\n & + 3.5000D-01 * RXRAT( 83 ) ! ACE+HO=0.3500D+00*CO+...\n & + RXRAT( 93 ) ! HCHO+HO=CO+HO2\n & + 2.0000D+00 * RXRAT( 103 ) ! GLY+HO=0.2000D+01*CO+HO2\n & + RXRAT( 104 ) ! MGLY+HO=CO+ACO3\n & + 3.3000D-01 * RXRAT( 105 ) ! DCB1+HO=0.3300D+00*CO+...\n & + 3.3000D-01 * RXRAT( 106 ) ! DCB2+HO=0.3300D+00*CO+...\n & + 1.1000D-01 * RXRAT( 107 ) ! DCB3+HO=0.1100D+00*CO+...\n & + 4.3000D-01 * RXRAT( 132 ) ! ETE+O3=0.4300D+00*CO+...\n & + 4.3000D-01 * RXRAT( 133 ) ! OLT+O3=0.4300D+00*CO+...\n & + 3.7000D-01 * RXRAT( 134 ) ! OLI+O3=0.3700D+00*CO+...\n & + 1.4000D-01 * RXRAT( 135 ) ! ISO+O3=0.1400D+00*CO+...\n & + 1.4000D-01 * RXRAT( 136 ) ! API+O3=0.1400D+00*CO+...\n & + 1.4000D-01 * RXRAT( 137 ) ! LIM+O3=0.1400D+00*CO+...\n & + 2.0000D-01 * RXRAT( 138 ) ! LIMAL+O3=0.2000D+00*CO+...\n & + 2.2000D-01 * RXRAT( 140 ) ! MACR+O3=0.2200D+00*CO+...\n & + 5.6000D-01 * RXRAT( 141 ) ! MVK+O3=0.5600D+00*CO+...\n & + 2.4300D-01 * RXRAT( 142 ) ! UALD+O3=0.2430D+00*CO+...\n & + 1.5000D+00 * RXRAT( 143 ) ! DCB1+O3=0.1500D+01*CO+HO2+...\n & + 1.5000D+00 * RXRAT( 144 ) ! DCB2+O3=0.1500D+01*CO+HO2+...\n & + 1.5000D+00 * RXRAT( 145 ) ! DCB3+O3=0.1500D+01*CO+HO2+...\n & + RXRAT( 154 ) ! HCHO+NO3=CO+HO2+HNO3\n & + 6.6800D-01 * RXRAT( 158 ) ! UALD+NO3=0.6680D+00*CO+XO2+...\n & + 2.0000D+00 * RXRAT( 159 ) ! GLY+NO3=0.2000D+01*CO+HO2+HNO3\n & + RXRAT( 160 ) ! MGLY+NO3=CO+ACO3+HNO3\n & + 6.5000D-01 * RXRAT( 200 ) ! MACP+NO=0.6500D+00*CO+...\n & + 6.1000D-01 * RXRAT( 203 ) ! UALP+NO=0.6100D+00*CO+NO2+...\n & + 5.0000D-01 * RXRAT( 280 ) ! MACP+MO2=0.5000D+00*CO+...\n & + 3.0500D-01 * RXRAT( 283 ) ! UALP+MO2=0.3050D+00*CO+HO2+...\n & + 5.0000D-01 * RXRAT( 317 ) ! MACP+ACO3=0.5000D+00*CO+...\n & + 5.0000D-01 * RXRAT( 320 ) ! UALP+ACO3=0.5000D+00*CO+...\n & + RXRAT( 350 ) ! MACP+NO3=CO+0.5380D+...\n & + 6.1000D-01 * RXRAT( 353 ) ! UALP+NO3=0.6100D+00*CO+NO2+...\n & + 8.4000D-01 * RXRAT( 384 ) ! ACRO+O3=0.8400D+00*CO+...\n & + RXRAT( 386 ) ! ACRO=CO+0.4770D+00*HO2+...\n & + 6.3000D-01 * RXRAT( 393 ) ! BDE13+O3=0.6300D+00*CO+...\n & + 4.3000D-01 * RXRAT( 398 ) ! FURANONE+HO=0.4300D+00*CO+...\n LOSS( CO ) = RXRAT( 75 ) ! CO+HO=HO2\n\n PROD( ACD ) = RXRAT( 113 ) ! EOH+HO=ACD+HO2\n & + 1.8400D-01 * RXRAT( 114 ) ! ROH+HO=0.1840D+00*ACD+...\n & + 1.0000D-02 * RXRAT( 133 ) ! OLT+O3=0.1000D-01*ACD+...\n & + 4.5700D-01 * RXRAT( 134 ) ! OLI+O3=0.4570D+00*ACD+...\n & + 4.2000D-01 * RXRAT( 142 ) ! UALD+O3=0.4200D+00*ACD+...\n & + RXRAT( 174 ) ! ETHP+NO=ACD+NO2+HO2\n & + 5.0400D-01 * RXRAT( 175 ) ! HC3P+NO=0.5040D+00*ACD+...\n & + 4.5000D-02 * RXRAT( 176 ) ! HC5P+NO=0.4500D-01*ACD+...\n & + 1.2000D-02 * RXRAT( 178 ) ! OLTP+NO=0.1200D-01*ACD+...\n & + 8.1000D-01 * RXRAT( 179 ) ! OLIP+NO=0.8100D+00*ACD+...\n & + 7.5000D-01 * RXRAT( 256 ) ! ETHP+MO2=0.7500D+00*ACD+...\n & + RXRAT( 293 ) ! ETHP+ACO3=ACD+0.5000D+...\n & + RXRAT( 332 ) ! ETHP+NO3=ACD+NO2+HO2\n & + 5.1900D-01 * RXRAT( 333 ) ! HC3P+NO3=0.5190D+00*ACD+...\n & + 4.8000D-02 * RXRAT( 334 ) ! HC5P+NO3=0.4800D-01*ACD+...\n & + 2.0000D-02 * RXRAT( 336 ) ! OLTP+NO3=0.2000D-01*ACD+...\n & + 8.5000D-01 * RXRAT( 337 ) ! OLIP+NO3=0.8500D+00*ACD+...\n & + 2.5810D-01 * RXRAT( 493 ) ! VROCN2OXY8+HO=0.2581D+...\n & + 7.9400D-02 * RXRAT( 494 ) ! VROCN2OXY4+HO=0.7940D-...\n & + 3.9000D-02 * RXRAT( 495 ) ! VROCN2OXY2+HO=0.3900D-...\n & + 1.8400D-01 * RXRAT( 496 ) ! VROCN1OXY6+HO=0.1840D+...\n & + 6.4600D-02 * RXRAT( 497 ) ! VROCN1OXY3+HO=0.6460D-...\n & + 2.4400D-02 * RXRAT( 498 ) ! VROCN1OXY1+HO=0.2440D-...\n & + 1.0680D-01 * RXRAT( 499 ) ! VROCP0OXY4+HO=0.1068D+...\n & + 4.4500D-02 * RXRAT( 500 ) ! VROCP0OXY2+HO=0.4450D-...\n & + 8.1800D-02 * RXRAT( 501 ) ! VROCP1OXY3+HO=0.8180D-...\n & + 2.9700D-02 * RXRAT( 502 ) ! VROCP1OXY1+HO=0.2970D-...\n & + 6.2800D-02 * RXRAT( 503 ) ! VROCP2OXY2+HO=0.6280D-...\n & + 6.9800D-02 * RXRAT( 504 ) ! VROCP3OXY2+HO=0.6980D-...\n & + 7.8600D-02 * RXRAT( 505 ) ! VROCP4OXY2+HO=0.7860D-...\n & + 5.2600D-02 * RXRAT( 506 ) ! VROCP5OXY1+HO=0.5260D-...\n & + 5.7100D-02 * RXRAT( 507 ) ! VROCP6OXY1+HO=0.5710D-...\n & + 2.2660D-01 * RXRAT( 508 ) ! OP3+HO=0.2266D+00*ACD+...\n LOSS( ACD ) = RXRAT( 12 ) ! ACD=HO2+MO2+CO\n & + RXRAT( 94 ) ! ACD+HO=ACO3\n & + RXRAT( 155 ) ! ACD+NO3=ACO3+HNO3\n\n PROD( MO2 ) = RXRAT( 12 ) ! ACD=MO2+HO2+CO\n & + RXRAT( 14 ) ! ACT=MO2+ACO3\n & + 2.0000D+00 * RXRAT( 15 ) ! ACT=0.2000D+01*MO2+CO\n & + 1.0000D-01 * RXRAT( 19 ) ! MEK=0.1000D+00*MO2+ETHP+...\n & + 3.0000D-01 * RXRAT( 23 ) ! MVK=0.3000D+00*MO2+0.3000D+...\n & + RXRAT( 35 ) ! PAA=MO2+HO\n & + RXRAT( 38 ) ! PAN=MO2+NO3\n & + RXRAT( 76 ) ! HO=MO2\n & + 6.5000D-01 * RXRAT( 116 ) ! OP1+HO=0.6500D+00*MO2+...\n & + 6.4000D-01 * RXRAT( 123 ) ! ORA2+HO=0.6400D+00*MO2+...\n & + 8.0000D-02 * RXRAT( 133 ) ! OLT+O3=0.8000D-01*MO2+...\n & + 3.2000D-01 * RXRAT( 134 ) ! OLI+O3=0.3200D+00*MO2+...\n & + 8.0000D-02 * RXRAT( 135 ) ! ISO+O3=0.8000D-01*MO2+...\n & + 8.0000D-03 * RXRAT( 142 ) ! UALD+O3=0.8000D-02*MO2+...\n & + 1.3100D-01 * RXRAT( 175 ) ! HC3P+NO=0.1310D+00*MO2+...\n & + 5.1000D-02 * RXRAT( 176 ) ! HC5P+NO=0.5100D-01*MO2+...\n & + RXRAT( 195 ) ! ACO3+NO=MO2+NO2\n & + 6.5000D-01 * RXRAT( 200 ) ! MACP+NO=0.6500D+00*MO2+...\n & + 4.4000D-01 * RXRAT( 238 ) ! ACO3+HO2=0.4400D+00*MO2+...\n & + 5.0000D-01 * RXRAT( 293 ) ! ETHP+ACO3=0.5000D+00*MO2+...\n & + 5.8000D-01 * RXRAT( 294 ) ! HC3P+ACO3=0.5800D+00*MO2+...\n & + 5.1800D-01 * RXRAT( 295 ) ! HC5P+ACO3=0.5180D+00*MO2+...\n & + 5.0000D-01 * RXRAT( 296 ) ! ETEP+ACO3=0.5000D+00*MO2+...\n & + 5.0000D-01 * RXRAT( 297 ) ! OLTP+ACO3=0.5000D+00*MO2+...\n & + 5.0000D-01 * RXRAT( 298 ) ! OLIP+ACO3=0.5000D+00*MO2+...\n & + 7.0000D-01 * RXRAT( 299 ) ! BENP+ACO3=0.7000D+00*MO2+...\n & + 7.0000D-01 * RXRAT( 300 ) ! TOLP+ACO3=0.7000D+00*MO2+...\n & + 7.0000D-01 * RXRAT( 301 ) ! XYMP+ACO3=0.7000D+00*MO2+...\n & + 7.0000D-01 * RXRAT( 302 ) ! XYEP+ACO3=0.7000D+00*MO2+...\n & + 5.0000D-01 * RXRAT( 303 ) ! ISOP+ACO3=0.5000D+00*MO2+...\n & + 7.0000D-01 * RXRAT( 304 ) ! APIP1+ACO3=0.7000D+00*MO2+...\n & + 5.0000D-01 * RXRAT( 305 ) ! APIP2+ACO3=0.5000D+00*MO2+...\n & + 7.0000D-01 * RXRAT( 306 ) ! APINP1+ACO3=0.7000D+00*MO2+...\n & + 5.0000D-01 * RXRAT( 307 ) ! APINP2+ACO3=0.5000D+00*MO2+...\n & + 7.0000D-01 * RXRAT( 308 ) ! LIMP1+ACO3=0.7000D+00*MO2+...\n & + 5.0000D-01 * RXRAT( 309 ) ! LIMP2+ACO3=0.5000D+00*MO2+...\n & + 7.0000D-01 * RXRAT( 310 ) ! LIMNP1+ACO3=0.7000D+00*MO2+...\n & + 5.0000D-01 * RXRAT( 311 ) ! LIMNP2+ACO3=0.5000D+00*MO2+...\n & + 2.0000D+00 * RXRAT( 312 ) ! ACO3+ACO3=0.2000D+01*MO2\n & + RXRAT( 313 ) ! RCO3+ACO3=MO2+ETHP\n & + 5.0000D-01 * RXRAT( 314 ) ! ACTP+ACO3=0.5000D+00*MO2+...\n & + 5.0000D-01 * RXRAT( 315 ) ! MEKP+ACO3=0.5000D+00*MO2+...\n & + 5.0000D-01 * RXRAT( 316 ) ! KETP+ACO3=0.5000D+00*MO2+...\n & + 5.0000D-01 * RXRAT( 317 ) ! MACP+ACO3=0.5000D+00*MO2+...\n & + 5.0000D-01 * RXRAT( 318 ) ! MCP+ACO3=0.5000D+00*MO2+...\n & + 5.0000D-01 * RXRAT( 319 ) ! MVKP+ACO3=0.5000D+00*MO2+...\n & + 5.0000D-01 * RXRAT( 320 ) ! UALP+ACO3=0.5000D+00*MO2+...\n & + RXRAT( 321 ) ! BALP+ACO3=MO2+BAL1\n & + RXRAT( 322 ) ! BAL1+ACO3=MO2+BAL2\n & + RXRAT( 323 ) ! ADDC+ACO3=MO2+0.2000D+...\n & + RXRAT( 324 ) ! MCTP+ACO3=MO2+HO2+MCTO\n & + RXRAT( 325 ) ! ORAP+ACO3=MO2+GLY\n & + RXRAT( 326 ) ! OLNN+ACO3=MO2+HO2+ONIT\n & + 5.0000D-01 * RXRAT( 327 ) ! OLND+ACO3=0.5000D+00*MO2+...\n & + RXRAT( 328 ) ! ADCN+ACO3=MO2+HO2+0.7000D+...\n & + RXRAT( 329 ) ! XO2+ACO3=MO2\n & + 1.4000D-01 * RXRAT( 333 ) ! HC3P+NO3=0.1400D+00*MO2+...\n & + 5.5000D-02 * RXRAT( 334 ) ! HC5P+NO3=0.5500D-01*MO2+...\n & + RXRAT( 345 ) ! ACO3+NO3=MO2+NO2\n & + 2.7000D-02 * RXRAT( 386 ) ! ACRO=0.2700D-01*MO2+...\n & + 7.0000D-01 * RXRAT( 392 ) ! BDE13P+ACO3=0.7000D+00*MO2+...\n & + 1.7000D-01 * RXRAT( 396 ) ! FURANO2+NO=0.1700D+00*MO2+...\n & + 8.0000D-02 * RXRAT( 397 ) ! FURANO2+HO2=0.8000D-01*MO2+...\n & + 3.4000D-01 * RXRAT( 398 ) ! FURANONE+HO=0.3400D+00*MO2+...\n & + 7.0000D-01 * RXRAT( 480 ) ! VROCP6AROP+ACO3=0.7000D+...\n & + 7.0000D-01 * RXRAT( 486 ) ! VROCP5AROP+ACO3=0.7000D+...\n & + 7.0000D-01 * RXRAT( 492 ) ! NAPHP+ACO3=0.7000D+00*MO2+...\n & + 2.5810D-01 * RXRAT( 493 ) ! VROCN2OXY8+HO=0.2581D+...\n & + 7.9400D-02 * RXRAT( 494 ) ! VROCN2OXY4+HO=0.7940D-...\n & + 3.9000D-02 * RXRAT( 495 ) ! VROCN2OXY2+HO=0.3900D-...\n & + 1.8400D-01 * RXRAT( 496 ) ! VROCN1OXY6+HO=0.1840D+...\n & + 6.4600D-02 * RXRAT( 497 ) ! VROCN1OXY3+HO=0.6460D-...\n & + 2.4400D-02 * RXRAT( 498 ) ! VROCN1OXY1+HO=0.2440D-...\n & + 1.0680D-01 * RXRAT( 499 ) ! VROCP0OXY4+HO=0.1068D+...\n & + 4.4500D-02 * RXRAT( 500 ) ! VROCP0OXY2+HO=0.4450D-...\n & + 8.1800D-02 * RXRAT( 501 ) ! VROCP1OXY3+HO=0.8180D-...\n & + 2.9700D-02 * RXRAT( 502 ) ! VROCP1OXY1+HO=0.2970D-...\n & + 6.2800D-02 * RXRAT( 503 ) ! VROCP2OXY2+HO=0.6280D-...\n & + 6.9800D-02 * RXRAT( 504 ) ! VROCP3OXY2+HO=0.6980D-...\n & + 7.8600D-02 * RXRAT( 505 ) ! VROCP4OXY2+HO=0.7860D-...\n & + 5.2600D-02 * RXRAT( 506 ) ! VROCP5OXY1+HO=0.5260D-...\n & + 5.7100D-02 * RXRAT( 507 ) ! VROCP6OXY1+HO=0.5710D-...\n & + 2.2660D-01 * RXRAT( 508 ) ! OP3+HO=0.2266D+00*MO2+...\n LOSS( MO2 ) = RXRAT( 173 ) ! MO2+NO=HO2+NO2+HCHO\n & + RXRAT( 216 ) ! MO2+HO2=OP1\n & + 2.0000D+00 * RXRAT( 255 ) ! MO2+MO2=0.7400D+00*HO2+...\n & + RXRAT( 256 ) ! MO2+ETHP=HO2+0.7500D+...\n & + 9.2000D-01 * RXRAT( 257 ) ! MO2+HC3P=0.8000D-01*MO2+...\n & + 9.8200D-01 * RXRAT( 258 ) ! MO2+HC5P=0.1800D-01*MO2+...\n & + RXRAT( 259 ) ! MO2+ETEP=HO2+0.1950D+...\n & + RXRAT( 260 ) ! MO2+OLTP=HO2+0.1500D+...\n & + RXRAT( 261 ) ! MO2+OLIP=HO2+0.7500D+...\n & + RXRAT( 262 ) ! MO2+BENP=0.6800D+00*HCHO+...\n & + RXRAT( 263 ) ! MO2+TOLP=0.6800D+00*HCHO+...\n & + RXRAT( 264 ) ! MO2+XYMP=0.6800D+00*HCHO+...\n & + RXRAT( 265 ) ! MO2+XYEP=0.6800D+00*HCHO+...\n & + RXRAT( 266 ) ! MO2+ISOP=HO2+0.1310D+...\n & + RXRAT( 267 ) ! MO2+APIP1=HO2+0.6800D+...\n & + RXRAT( 268 ) ! MO2+APIP2=HO2+0.7500D+...\n & + RXRAT( 269 ) ! MO2+APINP1=0.3700D+00*HO2+...\n & + RXRAT( 270 ) ! MO2+APINP2=0.7500D+00*HO2+...\n & + RXRAT( 271 ) ! MO2+LIMP1=HO2+HCHO+0.4200D+...\n & + RXRAT( 272 ) ! MO2+LIMP2=HO2+0.7500D+...\n & + RXRAT( 273 ) ! MO2+LIMNP1=0.3700D+00*HO2+...\n & + RXRAT( 274 ) ! MO2+LIMNP2=0.7500D+00*HO2+...\n & + 1.0000D-01 * RXRAT( 275 ) ! MO2+ACO3=0.9000D+00*MO2+...\n & + 1.0000D-01 * RXRAT( 276 ) ! MO2+RCO3=0.9000D+00*MO2+...\n & + RXRAT( 277 ) ! MO2+ACTP=0.5000D+00*HO2+...\n & + RXRAT( 278 ) ! MO2+MEKP=0.8340D+00*HO2+...\n & + RXRAT( 279 ) ! MO2+KETP=HO2+0.7500D+...\n & + 7.5000D-01 * RXRAT( 280 ) ! MO2+MACP=0.2500D+00*MO2+...\n & + RXRAT( 281 ) ! MO2+MCP=NO2+HO2+0.1500D+...\n & + RXRAT( 282 ) ! MO2+MVKP=HO2+0.1160D+...\n & + RXRAT( 283 ) ! MO2+UALP=HO2+0.3050D+00*CO+...\n & + RXRAT( 284 ) ! MO2+BALP=HO2+BAL1+HCHO\n & + RXRAT( 285 ) ! MO2+BAL1=HO2+BAL2+HCHO\n & + RXRAT( 286 ) ! MO2+ADDC=0.2000D+01*HO2+...\n & + RXRAT( 287 ) ! MO2+MCTP=HO2+MCTO+HCHO\n & + RXRAT( 288 ) ! MO2+ORAP=HCHO+HO2+GLY\n & + RXRAT( 289 ) ! MO2+OLNN=0.2000D+01*HO2+...\n & + RXRAT( 290 ) ! MO2+OLND=0.5000D+00*HO2+...\n & + RXRAT( 291 ) ! MO2+ADCN=HO2+0.7000D+...\n & + RXRAT( 292 ) ! MO2+XO2=HO2+HCHO\n & + RXRAT( 331 ) ! MO2+NO3=HO2+HCHO+NO2\n & + RXRAT( 391 ) ! MO2+BDE13P=0.3200D+00*MOH+...\n & + RXRAT( 479 ) ! MO2+VROCP6AROP=0.6800D+...\n & + RXRAT( 485 ) ! MO2+VROCP5AROP=0.6800D+...\n & + RXRAT( 491 ) ! MO2+NAPHP=0.6800D+00*HCHO+...\n\n PROD( ALD ) = 4.3400D-01 * RXRAT( 16 ) ! UALD=0.4340D+00*ALD+...\n & + RXRAT( 32 ) ! OP2=ALD+HO2+HO\n & + RXRAT( 33 ) ! OPB=ALD+HO2+HO\n & + RXRAT( 34 ) ! OP3=ALD+HO2+HO\n & + 2.0000D-01 * RXRAT( 36 ) ! ONIT=0.2000D+00*ALD+NO2+...\n & + 4.0000D-01 * RXRAT( 105 ) ! DCB1+HO=0.4000D+00*ALD+...\n & + 7.1900D-01 * RXRAT( 114 ) ! ROH+HO=0.7190D+00*ALD+HO2+...\n & + RXRAT( 115 ) ! ETEG+HO=ALD+HO2\n & + 8.0000D-02 * RXRAT( 117 ) ! OP2+HO=0.8000D-01*ALD+...\n & + 8.0000D-02 * RXRAT( 118 ) ! OPB+HO=0.8000D-01*ALD+...\n & + 8.0000D-02 * RXRAT( 119 ) ! OP3+HO=0.8000D-01*ALD+...\n & + 4.4000D-01 * RXRAT( 133 ) ! OLT+O3=0.4400D+00*ALD+...\n & + 7.3000D-01 * RXRAT( 134 ) ! OLI+O3=0.7300D+00*ALD+...\n & + 1.0000D-01 * RXRAT( 141 ) ! MVK+O3=0.1000D+00*ALD+...\n & + 3.3200D-01 * RXRAT( 158 ) ! UALD+NO3=0.3320D+00*ALD+...\n & + 1.3200D-01 * RXRAT( 175 ) ! HC3P+NO=0.1320D+00*ALD+...\n & + 2.0300D-01 * RXRAT( 176 ) ! HC5P+NO=0.2030D+00*ALD+...\n & + 2.0000D-01 * RXRAT( 177 ) ! ETEP+NO=0.2000D+00*ALD+NO2+...\n & + 4.4000D-01 * RXRAT( 178 ) ! OLTP+NO=0.4400D+00*ALD+...\n & + 6.8000D-01 * RXRAT( 179 ) ! OLIP+NO=0.6800D+00*ALD+...\n & + 2.7000D-02 * RXRAT( 184 ) ! ISOP+NO=0.2700D-01*ALD+...\n & + 4.6000D-01 * RXRAT( 199 ) ! KETP+NO=0.4600D+00*ALD+...\n & + 7.0000D-01 * RXRAT( 202 ) ! MVKP+NO=0.7000D+00*ALD+...\n & + 2.7000D-01 * RXRAT( 203 ) ! UALP+NO=0.2700D+00*ALD+NO2+...\n & + 1.2400D+00 * RXRAT( 210 ) ! OLND+NO=0.1240D+01*ALD+...\n & + 1.9800D-01 * RXRAT( 257 ) ! HC3P+MO2=0.1980D+00*ALD+...\n & + 2.5100D-01 * RXRAT( 258 ) ! HC5P+MO2=0.2510D+00*ALD+...\n & + 1.5000D-01 * RXRAT( 259 ) ! ETEP+MO2=0.1500D+00*ALD+...\n & + 7.0500D-01 * RXRAT( 260 ) ! OLTP+MO2=0.7050D+00*ALD+...\n & + 1.2800D+00 * RXRAT( 261 ) ! OLIP+MO2=0.1280D+01*ALD+...\n & + 2.3000D-02 * RXRAT( 266 ) ! ISOP+MO2=0.2300D-01*ALD+...\n & + 1.7500D+00 * RXRAT( 282 ) ! MVKP+MO2=0.1750D+01*ALD+...\n & + 2.0300D-01 * RXRAT( 283 ) ! UALP+MO2=0.2030D+00*ALD+...\n & + 9.3000D-01 * RXRAT( 290 ) ! OLND+MO2=0.9300D+00*ALD+...\n & + 2.7300D-01 * RXRAT( 294 ) ! HC3P+ACO3=0.2730D+00*ALD+...\n & + 3.8100D-01 * RXRAT( 295 ) ! HC5P+ACO3=0.3810D+00*ALD+...\n & + 2.0000D-01 * RXRAT( 296 ) ! ETEP+ACO3=0.2000D+00*ALD+...\n & + 9.4000D-01 * RXRAT( 297 ) ! OLTP+ACO3=0.9400D+00*ALD+...\n & + 1.7100D+00 * RXRAT( 298 ) ! OLIP+ACO3=0.1710D+01*ALD+...\n & + 2.3000D+00 * RXRAT( 319 ) ! MVKP+ACO3=0.2300D+01*ALD+...\n & + 2.7000D-01 * RXRAT( 320 ) ! UALP+ACO3=0.2700D+00*ALD+...\n & + 1.2400D+00 * RXRAT( 327 ) ! OLND+ACO3=0.1240D+01*ALD+...\n & + 1.4700D-01 * RXRAT( 333 ) ! HC3P+NO3=0.1470D+00*ALD+...\n & + 2.4100D-01 * RXRAT( 334 ) ! HC5P+NO3=0.2410D+00*ALD+...\n & + 2.0000D-01 * RXRAT( 335 ) ! ETEP+NO3=0.2000D+00*ALD+...\n & + 4.7000D-01 * RXRAT( 336 ) ! OLTP+NO3=0.4700D+00*ALD+...\n & + 7.2000D-01 * RXRAT( 337 ) ! OLIP+NO3=0.7200D+00*ALD+...\n & + 3.1000D-02 * RXRAT( 342 ) ! ISOP+NO3=0.3100D-01*ALD+...\n & + RXRAT( 343 ) ! APIP1+NO3=ALD+NO2+HO2+KET\n & + 7.0000D-01 * RXRAT( 352 ) ! MVKP+NO3=0.7000D+00*ALD+...\n & + 2.7000D-01 * RXRAT( 353 ) ! UALP+NO3=0.2700D+00*ALD+...\n & + 1.2400D+00 * RXRAT( 360 ) ! OLND+NO3=0.1240D+01*ALD+...\n & + 6.4000D-01 * RXRAT( 363 ) ! OLNN+OLND=0.6400D+00*ALD+...\n & + 1.2100D+00 * RXRAT( 364 ) ! OLND+OLND=0.1210D+01*ALD+...\n & + RXRAT( 399 ) ! FURAN+O3=ALD+0.2000D-01*HO\n & + 3.8700D-01 * RXRAT( 401 ) ! PROG+HO=0.3870D+00*ALD+...\n & + 2.5810D-01 * RXRAT( 493 ) ! VROCN2OXY8+HO=0.2581D+...\n & + 7.9400D-02 * RXRAT( 494 ) ! VROCN2OXY4+HO=0.7940D-...\n & + 3.9000D-02 * RXRAT( 495 ) ! VROCN2OXY2+HO=0.3900D-...\n & + 1.8400D-01 * RXRAT( 496 ) ! VROCN1OXY6+HO=0.1840D+...\n & + 6.4600D-02 * RXRAT( 497 ) ! VROCN1OXY3+HO=0.6460D-...\n & + 2.4400D-02 * RXRAT( 498 ) ! VROCN1OXY1+HO=0.2440D-...\n & + 1.0680D-01 * RXRAT( 499 ) ! VROCP0OXY4+HO=0.1068D+...\n & + 4.4500D-02 * RXRAT( 500 ) ! VROCP0OXY2+HO=0.4450D-...\n & + 8.1800D-02 * RXRAT( 501 ) ! VROCP1OXY3+HO=0.8180D-...\n & + 2.9700D-02 * RXRAT( 502 ) ! VROCP1OXY1+HO=0.2970D-...\n & + 6.2800D-02 * RXRAT( 503 ) ! VROCP2OXY2+HO=0.6280D-...\n & + 6.9800D-02 * RXRAT( 504 ) ! VROCP3OXY2+HO=0.6980D-...\n & + 7.8600D-02 * RXRAT( 505 ) ! VROCP4OXY2+HO=0.7860D-...\n & + 5.2600D-02 * RXRAT( 506 ) ! VROCP5OXY1+HO=0.5260D-...\n & + 5.7100D-02 * RXRAT( 507 ) ! VROCP6OXY1+HO=0.5710D-...\n & + 2.2660D-01 * RXRAT( 508 ) ! OP3+HO=0.2266D+00*ALD+...\n LOSS( ALD ) = RXRAT( 13 ) ! ALD=HO2+ETHP+CO\n & + RXRAT( 95 ) ! ALD+HO=RCO3\n & + RXRAT( 156 ) ! ALD+NO3=RCO3+HNO3\n\n PROD( ETHP ) = RXRAT( 13 ) ! ALD=ETHP+HO2+CO\n & + RXRAT( 19 ) ! MEK=ETHP+0.1000D+00*MO2+...\n & + 1.5000D+00 * RXRAT( 20 ) ! KET=0.1500D+01*ETHP+...\n & + RXRAT( 77 ) ! ETH+HO=ETHP\n & + 6.0000D-02 * RXRAT( 133 ) ! OLT+O3=0.6000D-01*ETHP+...\n & + 7.0000D-02 * RXRAT( 134 ) ! OLI+O3=0.7000D-01*ETHP+...\n & + 4.8000D-02 * RXRAT( 175 ) ! HC3P+NO=0.4800D-01*ETHP+...\n & + 2.3100D-01 * RXRAT( 176 ) ! HC5P+NO=0.2310D+00*ETHP+...\n & + RXRAT( 196 ) ! RCO3+NO=ETHP+NO2\n & + 4.4000D-01 * RXRAT( 239 ) ! RCO3+HO2=0.4400D+00*ETHP+...\n & + 2.6000D-02 * RXRAT( 257 ) ! HC3P+MO2=0.2600D-01*ETHP+...\n & + 1.4000D-01 * RXRAT( 258 ) ! HC5P+MO2=0.1400D+00*ETHP+...\n & + 2.6000D-02 * RXRAT( 294 ) ! HC3P+ACO3=0.2600D-01*ETHP+...\n & + 1.4000D-01 * RXRAT( 295 ) ! HC5P+ACO3=0.1400D+00*ETHP+...\n & + RXRAT( 313 ) ! RCO3+ACO3=ETHP+MO2\n & + 2.0000D+00 * RXRAT( 330 ) ! RCO3+RCO3=0.2000D+01*ETHP\n & + 5.0300D-01 * RXRAT( 333 ) ! HC3P+NO3=0.5030D+00*ETHP+...\n & + 2.8000D-01 * RXRAT( 334 ) ! HC5P+NO3=0.2800D+00*ETHP+...\n & + RXRAT( 346 ) ! RCO3+NO3=ETHP+NO2\n & + RXRAT( 366 ) ! XO2+RCO3=ETHP\n & + 8.5200D-01 * RXRAT( 381 ) ! VROCIOXY+HO=0.8520D+...\n & + RXRAT( 382 ) ! SLOWROC+HO=ETHP+0.1010D-...\n & + 2.5810D-01 * RXRAT( 493 ) ! VROCN2OXY8+HO=0.2581D+...\n & + 7.9400D-02 * RXRAT( 494 ) ! VROCN2OXY4+HO=0.7940D-...\n & + 3.9000D-02 * RXRAT( 495 ) ! VROCN2OXY2+HO=0.3900D-...\n & + 1.8400D-01 * RXRAT( 496 ) ! VROCN1OXY6+HO=0.1840D+...\n & + 6.4600D-02 * RXRAT( 497 ) ! VROCN1OXY3+HO=0.6460D-...\n & + 2.4400D-02 * RXRAT( 498 ) ! VROCN1OXY1+HO=0.2440D-...\n & + 1.0680D-01 * RXRAT( 499 ) ! VROCP0OXY4+HO=0.1068D+...\n & + 4.4500D-02 * RXRAT( 500 ) ! VROCP0OXY2+HO=0.4450D-...\n & + 8.1800D-02 * RXRAT( 501 ) ! VROCP1OXY3+HO=0.8180D-...\n & + 2.9700D-02 * RXRAT( 502 ) ! VROCP1OXY1+HO=0.2970D-...\n & + 6.2800D-02 * RXRAT( 503 ) ! VROCP2OXY2+HO=0.6280D-...\n & + 6.9800D-02 * RXRAT( 504 ) ! VROCP3OXY2+HO=0.6980D-...\n & + 7.8600D-02 * RXRAT( 505 ) ! VROCP4OXY2+HO=0.7860D-...\n & + 5.2600D-02 * RXRAT( 506 ) ! VROCP5OXY1+HO=0.5260D-...\n & + 5.7100D-02 * RXRAT( 507 ) ! VROCP6OXY1+HO=0.5710D-...\n & + 2.2660D-01 * RXRAT( 508 ) ! OP3+HO=0.2266D+00*ETHP+...\n LOSS( ETHP ) = RXRAT( 174 ) ! ETHP+NO=HO2+NO2+ACD\n & + RXRAT( 217 ) ! ETHP+HO2=OP2\n & + RXRAT( 256 ) ! ETHP+MO2=HO2+0.7500D+...\n & + RXRAT( 293 ) ! ETHP+ACO3=0.5000D+00*HO2+...\n & + RXRAT( 332 ) ! ETHP+NO3=HO2+NO2+ACD\n\n PROD( ACT ) = 3.0000D-02 * RXRAT( 133 ) ! OLT+O3=0.3000D-01*ACT+...\n & + 1.1000D-01 * RXRAT( 134 ) ! OLI+O3=0.1100D+00*ACT+...\n & + 1.6500D-01 * RXRAT( 175 ) ! HC3P+NO=0.1650D+00*ACT+...\n & + 2.1700D-01 * RXRAT( 176 ) ! HC5P+NO=0.2170D+00*ACT+...\n & + 6.0000D-02 * RXRAT( 178 ) ! OLTP+NO=0.6000D-01*ACT+...\n & + 2.0000D-01 * RXRAT( 179 ) ! OLIP+NO=0.2000D+00*ACT+...\n & + 9.5000D-02 * RXRAT( 333 ) ! HC3P+NO3=0.9500D-01*ACT+...\n & + 2.4700D-01 * RXRAT( 334 ) ! HC5P+NO3=0.2470D+00*ACT+...\n & + 9.0000D-02 * RXRAT( 336 ) ! OLTP+NO3=0.9000D-01*ACT+...\n & + 2.0000D-01 * RXRAT( 337 ) ! OLIP+NO3=0.2000D+00*ACT+...\n LOSS( ACT ) = RXRAT( 14 ) ! ACT=MO2+ACO3\n & + RXRAT( 15 ) ! ACT=0.2000D+01*MO2+CO\n & + RXRAT( 96 ) ! ACT+HO=ACTP\n\n PROD( UALD ) = 7.0000D-01 * RXRAT( 23 ) ! MVK=0.7000D+00*UALD+...\n & + 2.8000D-01 * RXRAT( 189 ) ! LIMP1+NO=0.2800D+00*UALD+...\n & + 3.3300D-01 * RXRAT( 387 ) ! BDE13+HO=0.3330D+00*UALD+...\n & + 1.9000D-02 * RXRAT( 391 ) ! BDE13P+MO2=0.1900D-01*UALD+...\n & + 1.5000D-02 * RXRAT( 392 ) ! BDE13P+ACO3=0.1500D-...\n LOSS( UALD ) = RXRAT( 16 ) ! UALD=0.1220D+01*HO2+...\n & + RXRAT( 102 ) ! UALD+HO=0.3130D+00*ACO3+...\n & + RXRAT( 142 ) ! UALD+O3=0.1000D+00*HO+...\n & + RXRAT( 158 ) ! UALD+NO3=HO2+XO2+0.6680D+...\n\n PROD( KET ) = 2.1600D-01 * RXRAT( 16 ) ! UALD=0.2160D+00*KET+...\n & + 8.0000D-01 * RXRAT( 36 ) ! ONIT=0.8000D+00*KET+NO2+...\n & + 7.8000D-01 * RXRAT( 105 ) ! DCB1+HO=0.7800D+00*KET+...\n & + 4.1000D-01 * RXRAT( 117 ) ! OP2+HO=0.4100D+00*KET+...\n & + 4.1000D-01 * RXRAT( 118 ) ! OPB+HO=0.4100D+00*KET+...\n & + 4.1000D-01 * RXRAT( 119 ) ! OP3+HO=0.4100D+00*KET+...\n & + 1.7000D-02 * RXRAT( 134 ) ! OLI+O3=0.1700D-01*KET+...\n & + 3.3000D-01 * RXRAT( 138 ) ! LIMAL+O3=0.3300D+00*KET+...\n & + 2.8000D-02 * RXRAT( 142 ) ! UALD+O3=0.2800D-01*KET+...\n & + 3.3000D-02 * RXRAT( 176 ) ! HC5P+NO=0.3300D-01*KET+...\n & + 9.0000D-02 * RXRAT( 179 ) ! OLIP+NO=0.9000D-01*KET+...\n & + 9.5000D-01 * RXRAT( 193 ) ! PINALP+NO=0.9500D+00*KET+...\n & + 9.4000D-01 * RXRAT( 194 ) ! LIMALP+NO=0.9400D+00*KET+...\n & + 7.0000D-01 * RXRAT( 203 ) ! UALP+NO=0.7000D+00*KET+NO2+...\n & + 4.6400D-01 * RXRAT( 210 ) ! OLND+NO=0.4640D+00*KET+...\n & + 4.9700D-01 * RXRAT( 257 ) ! HC3P+MO2=0.4970D+00*KET+...\n & + 6.1800D-01 * RXRAT( 258 ) ! HC5P+MO2=0.6180D+00*KET+...\n & + 4.5000D-02 * RXRAT( 260 ) ! OLTP+MO2=0.4500D-01*KET+...\n & + 2.1800D-01 * RXRAT( 261 ) ! OLIP+MO2=0.2180D+00*KET+...\n & + 7.0000D-02 * RXRAT( 267 ) ! APIP1+MO2=0.7000D-01*KET+...\n & + 3.0000D-01 * RXRAT( 271 ) ! LIMP1+MO2=0.3000D+00*KET+...\n & + 5.2500D-01 * RXRAT( 283 ) ! UALP+MO2=0.5250D+00*KET+...\n & + 3.4800D-01 * RXRAT( 290 ) ! OLND+MO2=0.3480D+00*KET+...\n & + 6.6200D-01 * RXRAT( 294 ) ! HC3P+ACO3=0.6620D+00*KET+...\n & + 8.2400D-01 * RXRAT( 295 ) ! HC5P+ACO3=0.8240D+00*KET+...\n & + 6.0000D-02 * RXRAT( 297 ) ! OLTP+ACO3=0.6000D-01*KET+...\n & + 2.9000D-01 * RXRAT( 298 ) ! OLIP+ACO3=0.2900D+00*KET+...\n & + 7.0000D-02 * RXRAT( 304 ) ! APIP1+ACO3=0.7000D-01*KET+...\n & + 3.0000D-01 * RXRAT( 308 ) ! LIMP1+ACO3=0.3000D+00*KET+...\n & + 7.0000D-01 * RXRAT( 320 ) ! UALP+ACO3=0.7000D+00*KET+...\n & + 4.6400D-01 * RXRAT( 327 ) ! OLND+ACO3=0.4640D+00*KET+...\n & + 6.0000D-02 * RXRAT( 334 ) ! HC5P+NO3=0.6000D-01*KET+...\n & + 1.1000D-01 * RXRAT( 337 ) ! OLIP+NO3=0.1100D+00*KET+...\n & + RXRAT( 343 ) ! APIP1+NO3=KET+NO2+ALD+HO2\n & + 7.0000D-01 * RXRAT( 353 ) ! UALP+NO3=0.7000D+00*KET+...\n & + 4.6400D-01 * RXRAT( 360 ) ! OLND+NO3=0.4640D+00*KET+...\n & + 1.4900D-01 * RXRAT( 363 ) ! OLNN+OLND=0.1490D+00*KET+...\n & + 2.8500D-01 * RXRAT( 364 ) ! OLND+OLND=0.2850D+00*KET+...\n & + 6.5000D-01 * RXRAT( 398 ) ! FURANONE+HO=0.6500D+00*KET+...\n & + 8.8000D-01 * RXRAT( 460 ) ! HC10P2+NO=0.8800D+00*KET+...\n & + RXRAT( 467 ) ! HC10P2+NO3=KET+NO2+HO2\n & + 7.9400D-02 * RXRAT( 494 ) ! VROCN2OXY4+HO=0.7940D-...\n & + 1.8400D-01 * RXRAT( 496 ) ! VROCN1OXY6+HO=0.1840D+...\n & + 1.0680D-01 * RXRAT( 499 ) ! VROCP0OXY4+HO=0.1068D+...\n LOSS( KET ) = RXRAT( 20 ) ! KET=0.1500D+01*ETHP+...\n & + RXRAT( 98 ) ! KET+HO=KETP\n\n PROD( PINAL ) = 5.0000D-02 * RXRAT( 136 ) ! API+O3=0.5000D-01*PINAL+...\n & + 8.2000D-01 * RXRAT( 185 ) ! APIP1+NO=0.8200D+00*PINAL+...\n & + RXRAT( 187 ) ! APINP1+NO=PINAL+0.2000D+01*NO2\n & + 6.0000D-01 * RXRAT( 267 ) ! APIP1+MO2=0.6000D+00*PINAL+...\n & + 8.6000D-01 * RXRAT( 269 ) ! APINP1+MO2=0.8600D+...\n & + 6.0000D-01 * RXRAT( 304 ) ! APIP1+ACO3=0.6000D+...\n & + 8.6000D-01 * RXRAT( 306 ) ! APINP1+ACO3=0.8600D+...\n & + 4.8000D-01 * RXRAT( 368 ) ! APIP2+APIP1=0.4800D+...\n & + 4.8000D-01 * RXRAT( 371 ) ! LIMP2+APIP1=0.4800D+...\n & + 4.8000D-01 * RXRAT( 374 ) ! APINP2+APIP1=0.4800D+...\n & + 4.8000D-01 * RXRAT( 377 ) ! LIMNP2+APIP1=0.4800D+...\n LOSS( PINAL ) = RXRAT( 17 ) ! PINAL=HO2+HC10P+CO\n & + RXRAT( 91 ) ! PINAL+HO=0.2300D+00*PINALP+...\n\n PROD( HC10P ) = RXRAT( 17 ) ! PINAL=HC10P+HO2+CO\n & + RXRAT( 18 ) ! LIMAL=HC10P+HO2+CO\n & + 4.4000D-01 * RXRAT( 118 ) ! OPB+HO=0.4400D+00*HC10P+...\n & + 4.4000D-01 * RXRAT( 119 ) ! OP3+HO=0.4400D+00*HC10P+...\n & + 6.7000D-01 * RXRAT( 138 ) ! LIMAL+O3=0.6700D+00*HC10P+...\n & + RXRAT( 425 ) ! HC10+HO=HC10P\n LOSS( HC10P ) = RXRAT( 432 ) ! HC10P+NO=0.7400D+00*HC10P2+...\n & + RXRAT( 439 ) ! HC10P+NO3=HC10P2+NO2\n & + RXRAT( 446 ) ! HC10P+HO2=OP2\n\n PROD( LIMAL ) = 5.0000D-02 * RXRAT( 137 ) ! LIM+O3=0.5000D-01*LIMAL+...\n & + 4.9000D-01 * RXRAT( 189 ) ! LIMP1+NO=0.4900D+00*LIMAL+...\n & + RXRAT( 191 ) ! LIMNP1+NO=LIMAL+0.2000D+01*NO2\n & + 4.2000D-01 * RXRAT( 271 ) ! LIMP1+MO2=0.4200D+00*LIMAL+...\n & + 7.0000D-01 * RXRAT( 273 ) ! LIMNP1+MO2=0.7000D+...\n & + 4.2000D-01 * RXRAT( 308 ) ! LIMP1+ACO3=0.4200D+...\n & + 7.0000D-01 * RXRAT( 310 ) ! LIMNP1+ACO3=0.7000D+...\n & + 4.8000D-01 * RXRAT( 369 ) ! APIP2+LIMP1=0.4800D+...\n & + 4.8000D-01 * RXRAT( 372 ) ! LIMP2+LIMP1=0.4800D+...\n & + 4.8000D-01 * RXRAT( 375 ) ! APINP2+LIMP1=0.4800D+...\n & + 4.8000D-01 * RXRAT( 378 ) ! LIMNP2+LIMP1=0.4800D+...\n LOSS( LIMAL ) = RXRAT( 18 ) ! LIMAL=HO2+HC10P+CO\n & + RXRAT( 92 ) ! LIMAL+HO=0.7000D+00*LIMALP+...\n & + RXRAT( 138 ) ! LIMAL+O3=0.4000D-01*HO+...\n\n PROD( MEK ) = 1.3000D-01 * RXRAT( 106 ) ! DCB2+HO=0.1300D+00*MEK+...\n & + 6.0000D-02 * RXRAT( 133 ) ! OLT+O3=0.6000D-01*MEK+...\n & + 4.2000D-02 * RXRAT( 175 ) ! HC3P+NO=0.4200D-01*MEK+...\n & + 3.3000D-02 * RXRAT( 176 ) ! HC5P+NO=0.3300D-01*MEK+...\n & + 1.3000D-01 * RXRAT( 178 ) ! OLTP+NO=0.1300D+00*MEK+...\n & + 7.5000D-02 * RXRAT( 333 ) ! HC3P+NO3=0.7500D-01*MEK+...\n & + 6.3000D-02 * RXRAT( 334 ) ! HC5P+NO3=0.6300D-01*MEK+...\n & + 1.8000D-01 * RXRAT( 336 ) ! OLTP+NO3=0.1800D+00*MEK+...\n & + 2.5810D-01 * RXRAT( 493 ) ! VROCN2OXY8+HO=0.2581D+...\n & + 7.9400D-02 * RXRAT( 494 ) ! VROCN2OXY4+HO=0.7940D-...\n & + 3.9000D-02 * RXRAT( 495 ) ! VROCN2OXY2+HO=0.3900D-...\n & + 1.8400D-01 * RXRAT( 496 ) ! VROCN1OXY6+HO=0.1840D+...\n & + 6.4600D-02 * RXRAT( 497 ) ! VROCN1OXY3+HO=0.6460D-...\n & + 2.4400D-02 * RXRAT( 498 ) ! VROCN1OXY1+HO=0.2440D-...\n & + 1.0680D-01 * RXRAT( 499 ) ! VROCP0OXY4+HO=0.1068D+...\n & + 4.4500D-02 * RXRAT( 500 ) ! VROCP0OXY2+HO=0.4450D-...\n & + 8.1800D-02 * RXRAT( 501 ) ! VROCP1OXY3+HO=0.8180D-...\n & + 2.9700D-02 * RXRAT( 502 ) ! VROCP1OXY1+HO=0.2970D-...\n & + 6.2800D-02 * RXRAT( 503 ) ! VROCP2OXY2+HO=0.6280D-...\n & + 6.9800D-02 * RXRAT( 504 ) ! VROCP3OXY2+HO=0.6980D-...\n & + 7.8600D-02 * RXRAT( 505 ) ! VROCP4OXY2+HO=0.7860D-...\n & + 5.2600D-02 * RXRAT( 506 ) ! VROCP5OXY1+HO=0.5260D-...\n & + 5.7100D-02 * RXRAT( 507 ) ! VROCP6OXY1+HO=0.5710D-...\n & + 2.2660D-01 * RXRAT( 508 ) ! OP3+HO=0.2266D+00*MEK+...\n LOSS( MEK ) = RXRAT( 19 ) ! MEK=0.1000D+00*MO2+ETHP+...\n & + RXRAT( 97 ) ! MEK+HO=MEKP\n\n PROD( HKET ) = RXRAT( 127 ) ! MPAN+HO=HKET+NO2\n & + RXRAT( 130 ) ! NALD+HO=HKET+XO2+NO2\n & + 7.0000D-02 * RXRAT( 131 ) ! ISON+HO=0.7000D-01*HKET+...\n & + 1.0000D-02 * RXRAT( 133 ) ! OLT+O3=0.1000D-01*HKET+...\n & + 4.4000D-02 * RXRAT( 134 ) ! OLI+O3=0.4400D-01*HKET+...\n & + 2.7200D-01 * RXRAT( 176 ) ! HC5P+NO=0.2720D+00*HKET+...\n & + 2.0000D-02 * RXRAT( 179 ) ! OLIP+NO=0.2000D-01*HKET+...\n & + 2.9000D-02 * RXRAT( 184 ) ! ISOP+NO=0.2900D-01*HKET+...\n & + RXRAT( 201 ) ! MCP+NO=HKET+0.5000D+00*HO2+...\n & + 3.2000D-01 * RXRAT( 206 ) ! ADDC+NO=0.3200D+00*HKET+...\n & + 1.6000D-02 * RXRAT( 266 ) ! ISOP+MO2=0.1600D-01*HKET+...\n & + 5.0000D-01 * RXRAT( 281 ) ! MCP+MO2=0.5000D+00*HKET+...\n & + 3.2000D-01 * RXRAT( 286 ) ! ADDC+MO2=0.3200D+00*HKET+...\n & + 5.0000D-01 * RXRAT( 318 ) ! MCP+ACO3=0.5000D+00*HKET+...\n & + 3.2000D-01 * RXRAT( 323 ) ! ADDC+ACO3=0.3200D+00*HKET+...\n & + 2.7500D-01 * RXRAT( 334 ) ! HC5P+NO3=0.2750D+00*HKET+...\n & + 4.0000D-02 * RXRAT( 337 ) ! OLIP+NO3=0.4000D-01*HKET+...\n & + 3.3000D-02 * RXRAT( 342 ) ! ISOP+NO3=0.3300D-01*HKET+...\n & + RXRAT( 351 ) ! MCP+NO3=HKET+HO2+HCHO+NO2\n & + 3.2000D-01 * RXRAT( 356 ) ! ADDC+NO3=0.3200D+00*HKET+...\n & + 6.1300D-01 * RXRAT( 401 ) ! PROG+HO=0.6130D+00*HKET+...\n & + 3.9000D-02 * RXRAT( 495 ) ! VROCN2OXY2+HO=0.3900D-...\n & + 6.4600D-02 * RXRAT( 497 ) ! VROCN1OXY3+HO=0.6460D-...\n & + 2.4400D-02 * RXRAT( 498 ) ! VROCN1OXY1+HO=0.2440D-...\n & + 4.4500D-02 * RXRAT( 500 ) ! VROCP0OXY2+HO=0.4450D-...\n & + 8.1800D-02 * RXRAT( 501 ) ! VROCP1OXY3+HO=0.8180D-...\n & + 2.9700D-02 * RXRAT( 502 ) ! VROCP1OXY1+HO=0.2970D-...\n & + 6.2800D-02 * RXRAT( 503 ) ! VROCP2OXY2+HO=0.6280D-...\n & + 6.9800D-02 * RXRAT( 504 ) ! VROCP3OXY2+HO=0.6980D-...\n & + 7.8600D-02 * RXRAT( 505 ) ! VROCP4OXY2+HO=0.7860D-...\n & + 5.2600D-02 * RXRAT( 506 ) ! VROCP5OXY1+HO=0.5260D-...\n & + 5.7100D-02 * RXRAT( 507 ) ! VROCP6OXY1+HO=0.5710D-...\n LOSS( HKET ) = RXRAT( 21 ) ! HKET=HO2+ACO3+HCHO\n & + RXRAT( 99 ) ! HKET+HO=HO2+MGLY\n\n PROD( MACR ) = RXRAT( 120 ) ! ISHP+HO=MACR+HO+0.9040D+...\n & + 4.6100D-01 * RXRAT( 135 ) ! ISO+O3=0.4610D+00*MACR+...\n & + 2.8000D-01 * RXRAT( 184 ) ! ISOP+NO=0.2800D+00*MACR+...\n & + 1.5900D-01 * RXRAT( 266 ) ! ISOP+MO2=0.1590D+00*MACR+...\n & + 2.1900D-01 * RXRAT( 303 ) ! ISOP+ACO3=0.2190D+00*MACR+...\n & + 3.1800D-01 * RXRAT( 342 ) ! ISOP+NO3=0.3180D+00*MACR+...\n & + 6.1500D-01 * RXRAT( 344 ) ! LIMP1+NO3=0.6150D+00*MACR+...\n LOSS( MACR ) = RXRAT( 22 ) ! MACR=0.3400D+00*HO+0.6600D+...\n & + RXRAT( 100 ) ! MACR+HO=0.5700D+00*MACP+...\n & + RXRAT( 140 ) ! MACR+O3=0.1900D+00*HO+...\n & + RXRAT( 157 ) ! MACR+NO3=0.6800D+00*HCHO+...\n\n PROD( MACP ) = 3.3000D-01 * RXRAT( 22 ) ! MACR=0.3300D+00*MACP+...\n & + 3.0000D-01 * RXRAT( 23 ) ! MVK=0.3000D+00*MACP+...\n & + 5.7000D-01 * RXRAT( 100 ) ! MACR+HO=0.5700D+00*MACP+...\n & + 2.1000D-01 * RXRAT( 107 ) ! DCB3+HO=0.2100D+00*MACP+...\n & + RXRAT( 121 ) ! MAHP+HO=MACP\n & + 1.0000D-01 * RXRAT( 135 ) ! ISO+O3=0.1000D+00*MACP+...\n & + 3.2000D-01 * RXRAT( 157 ) ! MACR+NO3=0.3200D+00*MACP+...\n & + RXRAT( 164 ) ! MPAN+NO3=MACP+NO2\n & + RXRAT( 172 ) ! MPAN=MACP+NO2\n & + 5.7000D-01 * RXRAT( 383 ) ! ACRO+HO=0.5700D+00*MACP+...\n & + 3.2000D-01 * RXRAT( 385 ) ! ACRO+NO3=0.3200D+00*MACP+...\n LOSS( MACP ) = RXRAT( 171 ) ! MACP+NO2=MPAN\n & + RXRAT( 200 ) ! MACP+NO=0.6500D+00*MO2+...\n & + RXRAT( 243 ) ! MACP+HO2=MAHP\n & + RXRAT( 280 ) ! MACP+MO2=0.5000D+00*HO2+...\n & + RXRAT( 317 ) ! MACP+ACO3=0.6350D+00*ORA2+...\n & + RXRAT( 350 ) ! MACP+NO3=HCHO+0.5380D+...\n\n PROD( XO2 ) = 3.4000D-01 * RXRAT( 22 ) ! MACR=0.3400D+00*XO2+...\n & + 2.0000D-01 * RXRAT( 28 ) ! DCB1=0.2000D+00*XO2+...\n & + 2.0000D-01 * RXRAT( 29 ) ! DCB2=0.2000D+00*XO2+...\n & + 7.0000D-02 * RXRAT( 117 ) ! OP2+HO=0.7000D-01*XO2+...\n & + 7.0000D-02 * RXRAT( 118 ) ! OPB+HO=0.7000D-01*XO2+...\n & + 7.0000D-02 * RXRAT( 119 ) ! OP3+HO=0.7000D-01*XO2+...\n & + 3.5000D-01 * RXRAT( 124 ) ! PAA+HO=0.3500D+00*XO2+...\n & + RXRAT( 125 ) ! PAN+HO=XO2+NO3+HCHO\n & + RXRAT( 126 ) ! PPN+HO=XO2+NO3+HCHO\n & + RXRAT( 130 ) ! NALD+HO=XO2+NO2+HKET\n & + 1.0000D-02 * RXRAT( 141 ) ! MVK+O3=0.1000D-01*XO2+...\n & + 1.0000D-01 * RXRAT( 142 ) ! UALD+O3=0.1000D+00*XO2+...\n & + 6.0000D-01 * RXRAT( 143 ) ! DCB1+O3=0.6000D+00*XO2+HO2+...\n & + 6.0000D-01 * RXRAT( 144 ) ! DCB2+O3=0.6000D+00*XO2+HO2+...\n & + 6.8000D-01 * RXRAT( 157 ) ! MACR+NO3=0.6800D+00*XO2+...\n & + RXRAT( 158 ) ! UALD+NO3=XO2+HO2+0.6680D+...\n & + 8.9000D-02 * RXRAT( 175 ) ! HC3P+NO=0.8900D-01*XO2+...\n & + 2.3500D-01 * RXRAT( 176 ) ! HC5P+NO=0.2350D+00*XO2+...\n & + 1.6000D-01 * RXRAT( 199 ) ! KETP+NO=0.1600D+00*XO2+...\n & + 7.0000D-01 * RXRAT( 202 ) ! MVKP+NO=0.7000D+00*XO2+...\n & + 2.6000D-02 * RXRAT( 257 ) ! HC3P+MO2=0.2600D-01*XO2+...\n & + 1.9100D-01 * RXRAT( 258 ) ! HC5P+MO2=0.1910D+00*XO2+...\n & + 1.1600D+00 * RXRAT( 282 ) ! MVKP+MO2=0.1160D+01*XO2+...\n & + 2.6000D-02 * RXRAT( 294 ) ! HC3P+ACO3=0.2600D-01*XO2+...\n & + 1.9100D-01 * RXRAT( 295 ) ! HC5P+ACO3=0.1910D+00*XO2+...\n & + 1.1600D+00 * RXRAT( 319 ) ! MVKP+ACO3=0.1160D+01*XO2+...\n & + 9.2000D-02 * RXRAT( 333 ) ! HC3P+NO3=0.9200D-01*XO2+...\n & + 4.8500D-01 * RXRAT( 334 ) ! HC5P+NO3=0.4850D+00*XO2+...\n & + 7.0000D-01 * RXRAT( 352 ) ! MVKP+NO3=0.7000D+00*XO2+...\n & + 6.8000D-01 * RXRAT( 385 ) ! ACRO+NO3=0.6800D+00*XO2+...\n LOSS( XO2 ) = RXRAT( 212 ) ! XO2+NO=NO2\n & + RXRAT( 254 ) ! XO2+HO2=OP2\n & + RXRAT( 292 ) ! XO2+MO2=HO2+HCHO\n & + RXRAT( 329 ) ! XO2+ACO3=MO2\n & + RXRAT( 365 ) ! XO2+NO3=NO2\n & + RXRAT( 366 ) ! XO2+RCO3=ETHP\n & + 2.0000D+00 * RXRAT( 367 ) ! XO2+XO2=\n\n PROD( MVK ) = 1.8900D-01 * RXRAT( 135 ) ! ISO+O3=0.1890D+00*MVK+...\n & + 4.4000D-01 * RXRAT( 184 ) ! ISOP+NO=0.4400D+00*MVK+...\n & + 2.5000D-01 * RXRAT( 266 ) ! ISOP+MO2=0.2500D+00*MVK+...\n & + 3.0500D-01 * RXRAT( 303 ) ! ISOP+ACO3=0.3050D+00*MVK+...\n & + 5.0000D-01 * RXRAT( 342 ) ! ISOP+NO3=0.5000D+00*MVK+...\n & + 4.8000D-01 * RXRAT( 370 ) ! APIP2+ISOP=0.4800D+00*MVK+...\n & + 4.8000D-01 * RXRAT( 373 ) ! LIMP2+ISOP=0.4800D+00*MVK+...\n & + 4.8000D-01 * RXRAT( 376 ) ! APINP2+ISOP=0.4800D+00*MVK+...\n & + 4.8000D-01 * RXRAT( 379 ) ! LIMNP2+ISOP=0.4800D+00*MVK+...\n & + 2.3100D-01 * RXRAT( 391 ) ! BDE13P+MO2=0.2310D+00*MVK+...\n & + 1.8500D-01 * RXRAT( 392 ) ! BDE13P+ACO3=0.1850D+00*MVK+...\n LOSS( MVK ) = RXRAT( 23 ) ! MVK=0.3000D+00*MO2+0.3000D+...\n & + RXRAT( 101 ) ! MVK+HO=MVKP\n & + RXRAT( 141 ) ! MVK+O3=0.1600D+00*HO+...\n\n PROD( GLY ) = 5.0000D-01 * RXRAT( 28 ) ! DCB1=0.5000D+00*GLY+...\n & + 5.0000D-01 * RXRAT( 29 ) ! DCB2=0.5000D+00*GLY+...\n & + 6.5000D-01 * RXRAT( 83 ) ! ACE+HO=0.6500D+00*GLY+...\n & + 1.0000D-01 * RXRAT( 105 ) ! DCB1+HO=0.1000D+00*GLY+...\n & + 1.0000D-01 * RXRAT( 106 ) ! DCB2+HO=0.1000D+00*GLY+...\n & + 2.7000D-01 * RXRAT( 107 ) ! DCB3+HO=0.2700D+00*GLY+...\n & + 4.9100D-01 * RXRAT( 142 ) ! UALD+O3=0.4910D+00*GLY+...\n & + 5.0000D-02 * RXRAT( 143 ) ! DCB1+O3=0.5000D-01*GLY+HO2+...\n & + 5.0000D-02 * RXRAT( 144 ) ! DCB2+O3=0.5000D-01*GLY+HO2+...\n & + 4.8000D-01 * RXRAT( 145 ) ! DCB3+O3=0.4800D+00*GLY+HO2+...\n & + 9.9800D-01 * RXRAT( 180 ) ! BENP+NO=0.9980D+00*GLY+...\n & + 5.4770D-01 * RXRAT( 181 ) ! TOLP+NO=0.5477D+00*GLY+...\n & + 7.0290D-01 * RXRAT( 182 ) ! XYMP+NO=0.7029D+00*GLY+...\n & + 5.4770D-01 * RXRAT( 183 ) ! XYEP+NO=0.5477D+00*GLY+...\n & + 2.1000D-02 * RXRAT( 184 ) ! ISOP+NO=0.2100D-01*GLY+...\n & + 1.8000D-01 * RXRAT( 203 ) ! UALP+NO=0.1800D+00*GLY+NO2+...\n & + 6.8000D-01 * RXRAT( 206 ) ! ADDC+NO=0.6800D+00*GLY+NO2+...\n & + RXRAT( 208 ) ! ORAP+NO=GLY+NO2+HO2\n & + RXRAT( 211 ) ! ADCN+NO=GLY+0.2000D+01*NO2+OP2\n & + 5.0000D-02 * RXRAT( 257 ) ! HC3P+MO2=0.5000D-01*GLY+...\n & + RXRAT( 262 ) ! BENP+MO2=GLY+0.1370D+...\n & + 5.4880D-01 * RXRAT( 263 ) ! TOLP+MO2=0.5488D+00*GLY+...\n & + 7.0430D-01 * RXRAT( 264 ) ! XYMP+MO2=0.7043D+00*GLY+...\n & + 5.4880D-01 * RXRAT( 265 ) ! XYEP+MO2=0.5488D+00*GLY+...\n & + 1.8000D-02 * RXRAT( 266 ) ! ISOP+MO2=0.1800D-01*GLY+...\n & + 1.3500D-01 * RXRAT( 283 ) ! UALP+MO2=0.1350D+00*GLY+...\n & + 6.8000D-01 * RXRAT( 286 ) ! ADDC+MO2=0.6800D+00*GLY+...\n & + RXRAT( 288 ) ! ORAP+MO2=GLY+HO2+HCHO\n & + 7.0000D-01 * RXRAT( 291 ) ! ADCN+MO2=0.7000D+00*GLY+...\n & + 6.7000D-02 * RXRAT( 294 ) ! HC3P+ACO3=0.6700D-01*GLY+...\n & + RXRAT( 299 ) ! BENP+ACO3=GLY+HO2+0.3000D+...\n & + 5.4880D-01 * RXRAT( 300 ) ! TOLP+ACO3=0.5488D+00*GLY+...\n & + 7.0430D-01 * RXRAT( 301 ) ! XYMP+ACO3=0.7043D+00*GLY+...\n & + 5.4880D-01 * RXRAT( 302 ) ! XYEP+ACO3=0.5488D+00*GLY+...\n & + 1.8000D-01 * RXRAT( 320 ) ! UALP+ACO3=0.1800D+00*GLY+...\n & + 6.8000D-01 * RXRAT( 323 ) ! ADDC+ACO3=0.6800D+00*GLY+...\n & + RXRAT( 325 ) ! ORAP+ACO3=GLY+MO2\n & + 7.0000D-01 * RXRAT( 328 ) ! ADCN+ACO3=0.7000D+00*GLY+...\n & + RXRAT( 338 ) ! BENP+NO3=GLY+HO2+0.0000D+...\n & + 5.4880D-01 * RXRAT( 339 ) ! TOLP+NO3=0.5488D+00*GLY+...\n & + 7.0430D-01 * RXRAT( 340 ) ! XYMP+NO3=0.7043D+00*GLY+...\n & + 5.4880D-01 * RXRAT( 341 ) ! XYEP+NO3=0.5488D+00*GLY+...\n & + 2.4000D-02 * RXRAT( 342 ) ! ISOP+NO3=0.2400D-01*GLY+...\n & + 1.8000D-01 * RXRAT( 353 ) ! UALP+NO3=0.1800D+00*GLY+...\n & + 6.8000D-01 * RXRAT( 356 ) ! ADDC+NO3=0.6800D+00*GLY+...\n & + RXRAT( 358 ) ! ORAP+NO3=GLY+NO2+HO2\n & + RXRAT( 361 ) ! ADCN+NO3=GLY+0.2000D+...\n & + 6.2000D-01 * RXRAT( 384 ) ! ACRO+O3=0.6200D+00*GLY+...\n & + 3.1000D-01 * RXRAT( 398 ) ! FURANONE+HO=0.3100D+00*GLY+...\n & + 4.6930D-01 * RXRAT( 477 ) ! VROCP6AROP+NO=0.4693D+...\n & + 4.7020D-01 * RXRAT( 478 ) ! VROCP6AROP+NO3=0.4702D+...\n & + 4.7020D-01 * RXRAT( 479 ) ! VROCP6AROP+MO2=0.4702D+...\n & + 4.7020D-01 * RXRAT( 480 ) ! VROCP6AROP+ACO3=0.4702D+...\n & + 4.6930D-01 * RXRAT( 483 ) ! VROCP5AROP+NO=0.4693D+...\n & + 4.7020D-01 * RXRAT( 484 ) ! VROCP5AROP+NO3=0.4702D+...\n & + 4.7020D-01 * RXRAT( 485 ) ! VROCP5AROP+MO2=0.4702D+...\n & + 4.7020D-01 * RXRAT( 486 ) ! VROCP5AROP+ACO3=0.4702D+...\n & + 4.6930D-01 * RXRAT( 489 ) ! NAPHP+NO=0.4693D+00*GLY+...\n & + 4.7020D-01 * RXRAT( 490 ) ! NAPHP+NO3=0.4702D+00*GLY+...\n & + 4.7020D-01 * RXRAT( 491 ) ! NAPHP+MO2=0.4702D+00*GLY+...\n & + 4.7020D-01 * RXRAT( 492 ) ! NAPHP+ACO3=0.4702D+00*GLY+...\n LOSS( GLY ) = RXRAT( 24 ) ! GLY=0.2000D+01*CO\n & + RXRAT( 25 ) ! GLY=HCHO+CO\n & + RXRAT( 26 ) ! GLY=0.2000D+01*HO2+0.2000D+...\n & + RXRAT( 103 ) ! GLY+HO=HO2+0.2000D+01*CO\n & + RXRAT( 159 ) ! GLY+NO3=HO2+0.2000D+01*CO+HNO3\n & + RXRAT( 411 ) ! GLY=AGLYJ\n\n PROD( MGLY ) = 5.0000D-01 * RXRAT( 28 ) ! DCB1=0.5000D+00*MGLY+...\n & + 5.0000D-01 * RXRAT( 29 ) ! DCB2=0.5000D+00*MGLY+...\n & + RXRAT( 99 ) ! HKET+HO=MGLY+HO2\n & + 1.0000D-02 * RXRAT( 105 ) ! DCB1+HO=0.1000D-01*MGLY+...\n & + 1.0000D-02 * RXRAT( 106 ) ! DCB2+HO=0.1000D-01*MGLY+...\n & + 1.0000D-02 * RXRAT( 107 ) ! DCB3+HO=0.1000D-01*MGLY+...\n & + 5.0000D-01 * RXRAT( 140 ) ! MACR+O3=0.5000D+00*MGLY+...\n & + 5.4000D-01 * RXRAT( 141 ) ! MVK+O3=0.5400D+00*MGLY+...\n & + 3.0000D-03 * RXRAT( 142 ) ! UALD+O3=0.3000D-02*MGLY+...\n & + 8.0000D-02 * RXRAT( 143 ) ! DCB1+O3=0.8000D-01*MGLY+...\n & + 8.0000D-02 * RXRAT( 144 ) ! DCB2+O3=0.8000D-01*MGLY+...\n & + 6.8000D-01 * RXRAT( 157 ) ! MACR+NO3=0.6800D+00*MGLY+...\n & + 3.6510D-01 * RXRAT( 181 ) ! TOLP+NO=0.3651D+00*MGLY+...\n & + 2.4700D-01 * RXRAT( 182 ) ! XYMP+NO=0.2470D+00*MGLY+...\n & + 3.6510D-01 * RXRAT( 183 ) ! XYEP+NO=0.3651D+00*MGLY+...\n & + 5.4000D-01 * RXRAT( 199 ) ! KETP+NO=0.5400D+00*MGLY+...\n & + 3.0000D-01 * RXRAT( 202 ) ! MVKP+NO=0.3000D+00*MGLY+...\n & + 2.1000D-01 * RXRAT( 203 ) ! UALP+NO=0.2100D+00*MGLY+...\n & + 3.6590D-01 * RXRAT( 263 ) ! TOLP+MO2=0.3659D+00*MGLY+...\n & + 2.4750D-01 * RXRAT( 264 ) ! XYMP+MO2=0.2475D+00*MGLY+...\n & + 3.6590D-01 * RXRAT( 265 ) ! XYEP+MO2=0.3659D+00*MGLY+...\n & + 5.0000D-01 * RXRAT( 282 ) ! MVKP+MO2=0.5000D+00*MGLY+...\n & + 1.0500D-01 * RXRAT( 283 ) ! UALP+MO2=0.1050D+00*MGLY+...\n & + 3.6590D-01 * RXRAT( 300 ) ! TOLP+ACO3=0.3659D+00*MGLY+...\n & + 2.4750D-01 * RXRAT( 301 ) ! XYMP+ACO3=0.2475D+00*MGLY+...\n & + 3.6590D-01 * RXRAT( 302 ) ! XYEP+ACO3=0.3659D+00*MGLY+...\n & + 5.0000D-01 * RXRAT( 319 ) ! MVKP+ACO3=0.5000D+00*MGLY+...\n & + 1.0500D-01 * RXRAT( 320 ) ! UALP+ACO3=0.1050D+00*MGLY+...\n & + 3.6590D-01 * RXRAT( 339 ) ! TOLP+NO3=0.3659D+00*MGLY+...\n & + 2.4750D-01 * RXRAT( 340 ) ! XYMP+NO3=0.2475D+00*MGLY+...\n & + 3.6590D-01 * RXRAT( 341 ) ! XYEP+NO3=0.3659D+00*MGLY+...\n & + 3.0000D-01 * RXRAT( 352 ) ! MVKP+NO3=0.3000D+00*MGLY+...\n & + 2.1000D-01 * RXRAT( 353 ) ! UALP+NO3=0.2100D+00*MGLY+...\n & + 6.8000D-01 * RXRAT( 385 ) ! ACRO+NO3=0.6800D+00*MGLY+...\n & + 4.6930D-01 * RXRAT( 477 ) ! VROCP6AROP+NO=0.4693D+...\n & + 4.7020D-01 * RXRAT( 478 ) ! VROCP6AROP+NO3=0.4702D+...\n & + 4.7020D-01 * RXRAT( 479 ) ! VROCP6AROP+MO2=0.4702D+...\n & + 4.7020D-01 * RXRAT( 480 ) ! VROCP6AROP+ACO3=0.4702D+...\n & + 4.6930D-01 * RXRAT( 483 ) ! VROCP5AROP+NO=0.4693D+...\n & + 4.7020D-01 * RXRAT( 484 ) ! VROCP5AROP+NO3=0.4702D+...\n & + 4.7020D-01 * RXRAT( 485 ) ! VROCP5AROP+MO2=0.4702D+...\n & + 4.7020D-01 * RXRAT( 486 ) ! VROCP5AROP+ACO3=0.4702D+...\n & + 4.6930D-01 * RXRAT( 489 ) ! NAPHP+NO=0.4693D+00*MGLY+...\n & + 4.7020D-01 * RXRAT( 490 ) ! NAPHP+NO3=0.4702D+00*MGLY+...\n & + 4.7020D-01 * RXRAT( 491 ) ! NAPHP+MO2=0.4702D+00*MGLY+...\n & + 4.7020D-01 * RXRAT( 492 ) ! NAPHP+ACO3=0.4702D+00*MGLY+...\n LOSS( MGLY ) = RXRAT( 27 ) ! MGLY=HO2+ACO3+CO\n & + RXRAT( 104 ) ! MGLY+HO=ACO3+CO\n & + RXRAT( 160 ) ! MGLY+NO3=ACO3+CO+HNO3\n & + RXRAT( 412 ) ! MGLY=AGLYJ\n\n PROD( DCB1 ) = 7.0000D-01 * RXRAT( 144 ) ! DCB2+O3=0.7000D+00*DCB1+...\n & + 7.0000D-01 * RXRAT( 145 ) ! DCB3+O3=0.7000D+00*DCB1+...\n & + 5.4770D-01 * RXRAT( 181 ) ! TOLP+NO=0.5477D+00*DCB1+...\n & + 6.7000D-01 * RXRAT( 198 ) ! MEKP+NO=0.6700D+00*DCB1+...\n & + 5.4880D-01 * RXRAT( 263 ) ! TOLP+MO2=0.5488D+00*DCB1+...\n & + 3.3400D-01 * RXRAT( 278 ) ! MEKP+MO2=0.3340D+00*DCB1+...\n & + 5.0000D-01 * RXRAT( 279 ) ! KETP+MO2=0.5000D+00*DCB1+...\n & + 5.4880D-01 * RXRAT( 300 ) ! TOLP+ACO3=0.5488D+00*DCB1+...\n & + 3.3400D-01 * RXRAT( 315 ) ! MEKP+ACO3=0.3340D+00*DCB1+...\n & + 5.0000D-01 * RXRAT( 316 ) ! KETP+ACO3=0.5000D+00*DCB1+...\n & + 5.4880D-01 * RXRAT( 339 ) ! TOLP+NO3=0.5488D+00*DCB1+...\n & + 6.7000D-01 * RXRAT( 348 ) ! MEKP+NO3=0.6700D+00*DCB1+...\n & + RXRAT( 349 ) ! KETP+NO3=DCB1+NO2+HO2\n & + 4.9000D-01 * RXRAT( 395 ) ! FURAN+HO=0.4900D+00*DCB1+...\n & + 8.0000D-01 * RXRAT( 400 ) ! FURAN+NO3=0.8000D+00*DCB1+...\n & + 2.5810D-01 * RXRAT( 493 ) ! VROCN2OXY8+HO=0.2581D+...\n & + 7.9400D-02 * RXRAT( 494 ) ! VROCN2OXY4+HO=0.7940D-...\n & + 3.9000D-02 * RXRAT( 495 ) ! VROCN2OXY2+HO=0.3900D-...\n & + 1.8400D-01 * RXRAT( 496 ) ! VROCN1OXY6+HO=0.1840D+...\n & + 6.4600D-02 * RXRAT( 497 ) ! VROCN1OXY3+HO=0.6460D-...\n & + 2.4400D-02 * RXRAT( 498 ) ! VROCN1OXY1+HO=0.2440D-...\n & + 1.0680D-01 * RXRAT( 499 ) ! VROCP0OXY4+HO=0.1068D+...\n & + 4.4500D-02 * RXRAT( 500 ) ! VROCP0OXY2+HO=0.4450D-...\n & + 8.1800D-02 * RXRAT( 501 ) ! VROCP1OXY3+HO=0.8180D-...\n & + 2.9700D-02 * RXRAT( 502 ) ! VROCP1OXY1+HO=0.2970D-...\n & + 6.2800D-02 * RXRAT( 503 ) ! VROCP2OXY2+HO=0.6280D-...\n & + 6.9800D-02 * RXRAT( 504 ) ! VROCP3OXY2+HO=0.6980D-...\n & + 7.8600D-02 * RXRAT( 505 ) ! VROCP4OXY2+HO=0.7860D-...\n & + 5.2600D-02 * RXRAT( 506 ) ! VROCP5OXY1+HO=0.5260D-...\n & + 5.7100D-02 * RXRAT( 507 ) ! VROCP6OXY1+HO=0.5710D-...\n & + 2.2660D-01 * RXRAT( 508 ) ! OP3+HO=0.2266D+00*DCB1+...\n LOSS( DCB1 ) = RXRAT( 28 ) ! DCB1=0.1500D+01*HO2+...\n & + RXRAT( 105 ) ! DCB1+HO=0.5200D+00*HO2+...\n & + RXRAT( 143 ) ! DCB1+O3=0.5000D-01*HO+HO2+...\n\n PROD( DCB2 ) = 2.4950D-01 * RXRAT( 180 ) ! BENP+NO=0.2495D+00*DCB2+...\n & + 5.9840D-01 * RXRAT( 182 ) ! XYMP+NO=0.5984D+00*DCB2+...\n & + 4.5640D-01 * RXRAT( 183 ) ! XYEP+NO=0.4564D+00*DCB2+...\n & + 2.5000D-01 * RXRAT( 262 ) ! BENP+MO2=0.2500D+00*DCB2+...\n & + 5.9960D-01 * RXRAT( 264 ) ! XYMP+MO2=0.5996D+00*DCB2+...\n & + 4.5730D-01 * RXRAT( 265 ) ! XYEP+MO2=0.4573D+00*DCB2+...\n & + 2.5000D-01 * RXRAT( 299 ) ! BENP+ACO3=0.2500D+00*DCB2+...\n & + 5.9960D-01 * RXRAT( 301 ) ! XYMP+ACO3=0.5996D+00*DCB2+...\n & + 4.5730D-01 * RXRAT( 302 ) ! XYEP+ACO3=0.4573D+00*DCB2+...\n & + 2.5000D-01 * RXRAT( 338 ) ! BENP+NO3=0.2500D+00*DCB2+...\n & + 5.9960D-01 * RXRAT( 340 ) ! XYMP+NO3=0.5996D+00*DCB2+...\n & + 4.5730D-01 * RXRAT( 341 ) ! XYEP+NO3=0.4573D+00*DCB2+...\n & + 4.6930D-01 * RXRAT( 477 ) ! VROCP6AROP+NO=0.4693D+...\n & + 4.7020D-01 * RXRAT( 478 ) ! VROCP6AROP+NO3=0.4702D+...\n & + 4.7020D-01 * RXRAT( 479 ) ! VROCP6AROP+MO2=0.4702D+...\n & + 4.7020D-01 * RXRAT( 480 ) ! VROCP6AROP+ACO3=0.4702D+...\n & + 4.6930D-01 * RXRAT( 483 ) ! VROCP5AROP+NO=0.4693D+...\n & + 4.7020D-01 * RXRAT( 484 ) ! VROCP5AROP+NO3=0.4702D+...\n & + 4.7020D-01 * RXRAT( 485 ) ! VROCP5AROP+MO2=0.4702D+...\n & + 4.7020D-01 * RXRAT( 486 ) ! VROCP5AROP+ACO3=0.4702D+...\n & + 4.6930D-01 * RXRAT( 489 ) ! NAPHP+NO=0.4693D+00*DCB2+...\n & + 4.7020D-01 * RXRAT( 490 ) ! NAPHP+NO3=0.4702D+00*DCB2+...\n & + 4.7020D-01 * RXRAT( 491 ) ! NAPHP+MO2=0.4702D+00*DCB2+...\n & + 4.7020D-01 * RXRAT( 492 ) ! NAPHP+ACO3=0.4702D+00*DCB2+...\n LOSS( DCB2 ) = RXRAT( 29 ) ! DCB2=0.1500D+01*HO2+...\n & + RXRAT( 106 ) ! DCB2+HO=0.5200D+00*HO2+...\n & + RXRAT( 144 ) ! DCB2+O3=0.5000D-01*HO+HO2+...\n\n PROD( BALD ) = 2.0000D-02 * RXRAT( 133 ) ! OLT+O3=0.2000D-01*BALD+...\n & + 8.5200D-02 * RXRAT( 181 ) ! TOLP+NO=0.8520D-01*BALD+...\n & + 4.8100D-02 * RXRAT( 182 ) ! XYMP+NO=0.4810D-01*BALD+...\n & + 8.5200D-02 * RXRAT( 183 ) ! XYEP+NO=0.8520D-01*BALD+...\n & + 8.5400D-02 * RXRAT( 263 ) ! TOLP+MO2=0.8540D-01*BALD+...\n & + 4.8200D-02 * RXRAT( 264 ) ! XYMP+MO2=0.4820D-01*BALD+...\n & + 8.5400D-02 * RXRAT( 265 ) ! XYEP+MO2=0.8540D-01*BALD+...\n & + 8.5400D-02 * RXRAT( 300 ) ! TOLP+ACO3=0.8540D-01*BALD+...\n & + 4.8200D-02 * RXRAT( 301 ) ! XYMP+ACO3=0.4820D-01*BALD+...\n & + 8.5400D-02 * RXRAT( 302 ) ! XYEP+ACO3=0.8540D-01*BALD+...\n & + 8.5400D-02 * RXRAT( 339 ) ! TOLP+NO3=0.8540D-01*BALD+...\n & + 4.8200D-02 * RXRAT( 340 ) ! XYMP+NO3=0.4820D-01*BALD+...\n & + 8.5400D-02 * RXRAT( 341 ) ! XYEP+NO3=0.8540D-01*BALD+...\n & + 5.9400D-02 * RXRAT( 477 ) ! VROCP6AROP+NO=0.5940D-...\n & + 5.9500D-02 * RXRAT( 478 ) ! VROCP6AROP+NO3=0.5950D-...\n & + 5.9500D-02 * RXRAT( 479 ) ! VROCP6AROP+MO2=0.5950D-...\n & + 5.9500D-02 * RXRAT( 480 ) ! VROCP6AROP+ACO3=0.5950D-...\n LOSS( BALD ) = RXRAT( 30 ) ! BALD=CHO+HO2+CO\n & + RXRAT( 108 ) ! BALD+HO=BALP\n\n PROD( CHO ) = RXRAT( 30 ) ! BALD=CHO+HO2+CO\n & + 5.9000D-02 * RXRAT( 109 ) ! PHEN+HO=0.5900D-01*CHO+...\n & + 5.6000D-02 * RXRAT( 110 ) ! CSL+HO=0.5600D-01*CHO+...\n & + 3.3900D-01 * RXRAT( 161 ) ! PHEN+NO3=0.3390D+00*CHO+...\n & + 3.2000D-01 * RXRAT( 162 ) ! CSL+NO3=0.3200D+00*CHO+...\n LOSS( CHO ) = RXRAT( 214 ) ! CHO+NO2=ONIT\n & + RXRAT( 248 ) ! CHO+HO2=CSL\n\n PROD( OP1 ) = RXRAT( 216 ) ! MO2+HO2=OP1\n LOSS( OP1 ) = RXRAT( 31 ) ! OP1=HO+HO2+HCHO\n & + RXRAT( 116 ) ! OP1+HO=0.3500D+00*HO+...\n\n PROD( OP2 ) = 7.8000D-01 * RXRAT( 106 ) ! DCB2+HO=0.7800D+00*OP2+...\n & + 7.9000D-01 * RXRAT( 107 ) ! DCB3+HO=0.7900D+00*OP2+...\n & + 6.5000D-01 * RXRAT( 143 ) ! DCB1+O3=0.6500D+00*OP2+HO2+...\n & + 6.5000D-01 * RXRAT( 144 ) ! DCB2+O3=0.6500D+00*OP2+HO2+...\n & + 6.8000D-01 * RXRAT( 206 ) ! ADDC+NO=0.6800D+00*OP2+NO2+...\n & + RXRAT( 211 ) ! ADCN+NO=OP2+GLY+0.2000D+01*NO2\n & + RXRAT( 217 ) ! ETHP+HO2=OP2\n & + RXRAT( 218 ) ! HC3P+HO2=OP2\n & + RXRAT( 219 ) ! HC5P+HO2=OP2\n & + RXRAT( 220 ) ! ETEP+HO2=OP2\n & + RXRAT( 221 ) ! OLTP+HO2=OP2\n & + RXRAT( 222 ) ! OLIP+HO2=OP2\n & + 6.0210D-01 * RXRAT( 223 ) ! BENP+HO2=0.6021D+00*OP2+...\n & + 7.1950D-01 * RXRAT( 224 ) ! TOLP+HO2=0.7195D+00*OP2+...\n & + 4.8200D-02 * RXRAT( 225 ) ! XYMP+HO2=0.4820D-01*OP2+...\n & + 8.5400D-02 * RXRAT( 226 ) ! XYEP+HO2=0.8540D-01*OP2+...\n & + 8.5000D-01 * RXRAT( 240 ) ! ACTP+HO2=0.8500D+00*OP2+...\n & + RXRAT( 241 ) ! MEKP+HO2=OP2\n & + RXRAT( 242 ) ! KETP+HO2=OP2\n & + RXRAT( 245 ) ! MVKP+HO2=OP2\n & + RXRAT( 246 ) ! UALP+HO2=OP2\n & + RXRAT( 247 ) ! ADDC+HO2=OP2\n & + RXRAT( 249 ) ! MCTP+HO2=OP2\n & + RXRAT( 250 ) ! ORAP+HO2=OP2\n & + RXRAT( 253 ) ! ADCN+HO2=OP2\n & + RXRAT( 254 ) ! XO2+HO2=OP2\n & + 6.8000D-01 * RXRAT( 286 ) ! ADDC+MO2=0.6800D+00*OP2+...\n & + 7.0000D-01 * RXRAT( 291 ) ! ADCN+MO2=0.7000D+00*OP2+...\n & + 6.8000D-01 * RXRAT( 323 ) ! ADDC+ACO3=0.6800D+00*OP2+...\n & + 7.0000D-01 * RXRAT( 328 ) ! ADCN+ACO3=0.7000D+00*OP2+...\n & + 6.8000D-01 * RXRAT( 356 ) ! ADDC+NO3=0.6800D+00*OP2+...\n & + RXRAT( 361 ) ! ADCN+NO3=OP2+GLY+0.2000D+...\n & + RXRAT( 390 ) ! BDE13P+HO2=OP2\n & + 6.0000D-01 * RXRAT( 397 ) ! FURANO2+HO2=0.6000D+00*OP2+...\n & + RXRAT( 446 ) ! HC10P+HO2=OP2\n & + 4.0000D-03 * RXRAT( 494 ) ! VROCN2OXY4+HO=0.4000D-...\n & + 1.3500D-02 * RXRAT( 497 ) ! VROCN1OXY3+HO=0.1350D-...\n & + 6.2000D-03 * RXRAT( 498 ) ! VROCN1OXY1+HO=0.6200D-...\n & + 5.4000D-03 * RXRAT( 499 ) ! VROCP0OXY4+HO=0.5400D-...\n & + 1.7000D-02 * RXRAT( 501 ) ! VROCP1OXY3+HO=0.1700D-...\n & + 2.5000D-03 * RXRAT( 502 ) ! VROCP1OXY1+HO=0.2500D-...\n & + 2.3000D-03 * RXRAT( 503 ) ! VROCP2OXY2+HO=0.2300D-...\n & + 1.1400D-02 * RXRAT( 504 ) ! VROCP3OXY2+HO=0.1140D-...\n & + 1.5500D-02 * RXRAT( 505 ) ! VROCP4OXY2+HO=0.1550D-...\n & + 3.8400D-02 * RXRAT( 506 ) ! VROCP5OXY1+HO=0.3840D-...\n & + 5.8500D-02 * RXRAT( 507 ) ! VROCP6OXY1+HO=0.5850D-...\n LOSS( OP2 ) = RXRAT( 32 ) ! OP2=HO+HO2+ALD\n & + RXRAT( 117 ) ! OP2+HO=0.1000D-01*HO+...\n\n PROD( OPB ) = RXRAT( 228 ) ! APIP1+HO2=OPB\n & + RXRAT( 232 ) ! LIMP1+HO2=OPB\n & + RXRAT( 236 ) ! PINALP+HO2=OPB\n & + RXRAT( 237 ) ! LIMALP+HO2=OPB\n LOSS( OPB ) = RXRAT( 33 ) ! OPB=HO+HO2+ALD\n & + RXRAT( 118 ) ! OPB+HO=0.1000D-01*HO+...\n\n PROD( OP3 ) = 6.7470D-01 * RXRAT( 225 ) ! XYMP+HO2=0.6747D+00*OP3+...\n & + 6.3410D-01 * RXRAT( 226 ) ! XYEP+HO2=0.6341D+00*OP3+...\n & + 3.0800D-02 * RXRAT( 494 ) ! VROCN2OXY4+HO=0.3080D-...\n & + 2.6000D-03 * RXRAT( 495 ) ! VROCN2OXY2+HO=0.2600D-...\n & + 1.6300D-02 * RXRAT( 498 ) ! VROCN1OXY1+HO=0.1630D-...\n & + 1.0500D-02 * RXRAT( 500 ) ! VROCP0OXY2+HO=0.1050D-...\n & + 1.5400D-02 * RXRAT( 501 ) ! VROCP1OXY3+HO=0.1540D-...\n & + 6.6000D-03 * RXRAT( 502 ) ! VROCP1OXY1+HO=0.6600D-...\n & + 4.1000D-03 * RXRAT( 503 ) ! VROCP2OXY2+HO=0.4100D-...\n & + 5.0600D-02 * RXRAT( 504 ) ! VROCP3OXY2+HO=0.5060D-...\n & + 6.0700D-02 * RXRAT( 505 ) ! VROCP4OXY2+HO=0.6070D-...\n & + 2.1600D-02 * RXRAT( 506 ) ! VROCP5OXY1+HO=0.2160D-...\n & + 3.1600D-02 * RXRAT( 507 ) ! VROCP6OXY1+HO=0.3160D-...\n LOSS( OP3 ) = RXRAT( 34 ) ! OP3=HO+HO2+ALD\n & + RXRAT( 119 ) ! OP3+HO=0.1000D-01*HO+...\n & + RXRAT( 508 ) ! OP3+HO=HO+0.1188D+...\n\n PROD( PAA ) = 1.1000D-01 * RXRAT( 145 ) ! DCB3+O3=0.1100D+00*PAA+HO2+...\n & + 4.1000D-01 * RXRAT( 238 ) ! ACO3+HO2=0.4100D+00*PAA+...\n & + 4.1000D-01 * RXRAT( 239 ) ! RCO3+HO2=0.4100D+00*PAA+...\n LOSS( PAA ) = RXRAT( 35 ) ! PAA=HO+MO2\n & + RXRAT( 124 ) ! PAA+HO=0.3500D+00*HO+...\n\n PROD( ONIT ) = RXRAT( 158 ) ! UALD+NO3=ONIT+XO2+0.6680D+...\n & + 6.5000D-02 * RXRAT( 175 ) ! HC3P+NO=0.6500D-01*ONIT+...\n & + 1.3600D-01 * RXRAT( 176 ) ! HC5P+NO=0.1360D+00*ONIT+...\n & + 3.0000D-02 * RXRAT( 178 ) ! OLTP+NO=0.3000D-01*ONIT+...\n & + 5.0000D-02 * RXRAT( 179 ) ! OLIP+NO=0.5000D-01*ONIT+...\n & + 2.0000D-04 * RXRAT( 181 ) ! TOLP+NO=0.2000D-03*ONIT+...\n & + 1.0000D-04 * RXRAT( 182 ) ! XYMP+NO=0.1000D-03*ONIT+...\n & + 2.0000D-04 * RXRAT( 183 ) ! XYEP+NO=0.2000D-03*ONIT+...\n & + RXRAT( 209 ) ! OLNN+NO=ONIT+HO2+NO2\n & + RXRAT( 213 ) ! BAL2+NO2=ONIT\n & + RXRAT( 214 ) ! CHO+NO2=ONIT\n & + RXRAT( 215 ) ! MCTO+NO2=ONIT\n & + RXRAT( 251 ) ! OLNN+HO2=ONIT\n & + RXRAT( 252 ) ! OLND+HO2=ONIT\n & + RXRAT( 289 ) ! OLNN+MO2=ONIT+HCHO+0.2000D+...\n & + 5.0000D-01 * RXRAT( 290 ) ! OLND+MO2=0.5000D+00*ONIT+...\n & + 3.0000D-01 * RXRAT( 291 ) ! ADCN+MO2=0.3000D+00*ONIT+...\n & + RXRAT( 326 ) ! OLNN+ACO3=ONIT+MO2+HO2\n & + 3.0000D-01 * RXRAT( 328 ) ! ADCN+ACO3=0.3000D+00*ONIT+...\n & + RXRAT( 359 ) ! OLNN+NO3=ONIT+NO2+HO2\n & + 2.0000D+00 * RXRAT( 362 ) ! OLNN+OLNN=0.2000D+01*ONIT+HO2\n & + 1.5000D+00 * RXRAT( 363 ) ! OLNN+OLND=0.1500D+01*ONIT+...\n & + RXRAT( 364 ) ! OLND+OLND=ONIT+0.5040D+...\n & + 3.2000D-02 * RXRAT( 388 ) ! BDE13P+NO=0.3200D-01*ONIT+...\n & + 8.0000D-02 * RXRAT( 396 ) ! FURANO2+NO=0.8000D-01*ONIT+...\n & + 2.6000D-01 * RXRAT( 432 ) ! HC10P+NO=0.2600D+00*ONIT+...\n & + 1.2000D-01 * RXRAT( 460 ) ! HC10P2+NO=0.1200D+00*ONIT+...\n LOSS( ONIT ) = RXRAT( 36 ) ! ONIT=HO2+NO2+0.2000D+...\n & + RXRAT( 128 ) ! ONIT+HO=HC3P+NO2\n\n PROD( SO2 ) = 0.0D0\n LOSS( SO2 ) = RXRAT( 74 ) ! SO2+HO=HO2+SULF+SULRXN\n\n PROD( SULF ) = RXRAT( 74 ) ! SO2+HO=SULF+HO2+SULRXN\n LOSS( SULF ) = 0.0D0\n\n PROD( SULRXN ) = RXRAT( 74 ) ! SO2+HO=SULRXN+SULF+HO2\n LOSS( SULRXN ) = 0.0D0\n\n PROD( ETH ) = 2.0000D-02 * RXRAT( 133 ) ! OLT+O3=0.2000D-01*ETH+...\n & + 1.0000D-02 * RXRAT( 134 ) ! OLI+O3=0.1000D-01*ETH+...\n LOSS( ETH ) = RXRAT( 77 ) ! ETH+HO=ETHP\n\n PROD( HC3 ) = 1.5000D-02 * RXRAT( 133 ) ! OLT+O3=0.1500D-01*HC3+...\n & + 1.0000D-02 * RXRAT( 134 ) ! OLI+O3=0.1000D-01*HC3+...\n LOSS( HC3 ) = RXRAT( 78 ) ! HC3+HO=HC3P+0.2810D-04*ASOATJ\n\n PROD( HC3P ) = RXRAT( 78 ) ! HC3+HO=HC3P+0.2810D-04*ASOATJ\n & + 4.4000D-01 * RXRAT( 117 ) ! OP2+HO=0.4400D+00*HC3P+...\n & + RXRAT( 128 ) ! ONIT+HO=HC3P+NO2\n & + 4.0000D-02 * RXRAT( 133 ) ! OLT+O3=0.4000D-01*HC3P+...\n & + 4.0000D-02 * RXRAT( 134 ) ! OLI+O3=0.4000D-01*HC3P+...\n & + 2.5810D-01 * RXRAT( 493 ) ! VROCN2OXY8+HO=0.2581D+...\n & + 7.9400D-02 * RXRAT( 494 ) ! VROCN2OXY4+HO=0.7940D-...\n & + 3.9000D-02 * RXRAT( 495 ) ! VROCN2OXY2+HO=0.3900D-...\n & + 1.8400D-01 * RXRAT( 496 ) ! VROCN1OXY6+HO=0.1840D+...\n & + 6.4600D-02 * RXRAT( 497 ) ! VROCN1OXY3+HO=0.6460D-...\n & + 2.4400D-02 * RXRAT( 498 ) ! VROCN1OXY1+HO=0.2440D-...\n & + 1.0680D-01 * RXRAT( 499 ) ! VROCP0OXY4+HO=0.1068D+...\n & + 4.4500D-02 * RXRAT( 500 ) ! VROCP0OXY2+HO=0.4450D-...\n & + 8.1800D-02 * RXRAT( 501 ) ! VROCP1OXY3+HO=0.8180D-...\n & + 2.9700D-02 * RXRAT( 502 ) ! VROCP1OXY1+HO=0.2970D-...\n & + 6.2800D-02 * RXRAT( 503 ) ! VROCP2OXY2+HO=0.6280D-...\n & + 6.9800D-02 * RXRAT( 504 ) ! VROCP3OXY2+HO=0.6980D-...\n & + 7.8600D-02 * RXRAT( 505 ) ! VROCP4OXY2+HO=0.7860D-...\n & + 5.2600D-02 * RXRAT( 506 ) ! VROCP5OXY1+HO=0.5260D-...\n & + 5.7100D-02 * RXRAT( 507 ) ! VROCP6OXY1+HO=0.5710D-...\n & + 2.2660D-01 * RXRAT( 508 ) ! OP3+HO=0.2266D+00*HC3P+...\n LOSS( HC3P ) = RXRAT( 175 ) ! HC3P+NO=0.6600D+00*HO2+...\n & + RXRAT( 218 ) ! HC3P+HO2=OP2\n & + RXRAT( 257 ) ! HC3P+MO2=0.8940D+00*HO2+...\n & + RXRAT( 294 ) ! HC3P+ACO3=0.3940D+00*HO2+...\n & + RXRAT( 333 ) ! HC3P+NO3=0.2540D+00*HO2+...\n\n PROD( ASOATJ ) = 2.8100D-05 * RXRAT( 78 ) ! HC3+HO=0.2810D-04*ASOATJ+HC3P\n & + 1.3400D-03 * RXRAT( 79 ) ! HC5+HO=0.1340D-02*ASOATJ+HC5P\n & + 1.5200D-01 * RXRAT( 109 ) ! PHEN+HO=0.1520D+00*ASOATJ+...\n & + 2.0000D-01 * RXRAT( 110 ) ! CSL+HO=0.2000D+00*ASOATJ+...\n & + 1.5200D-01 * RXRAT( 161 ) ! PHEN+NO3=0.1520D+00*ASOATJ+...\n & + 2.0000D-01 * RXRAT( 162 ) ! CSL+NO3=0.2000D+00*ASOATJ+...\n & + 1.4900D-01 * RXRAT( 381 ) ! VROCIOXY+HO=0.1490D+...\n & + 1.0100D-03 * RXRAT( 382 ) ! SLOWROC+HO=0.1010D-...\n & + 4.0000D-02 * RXRAT( 398 ) ! FURANONE+HO=0.4000D-...\n LOSS( ASOATJ ) = 0.0D0\n\n PROD( HC5 ) = 6.0000D-03 * RXRAT( 133 ) ! OLT+O3=0.6000D-02*HC5+...\n LOSS( HC5 ) = RXRAT( 79 ) ! HC5+HO=HC5P+0.1340D-02*ASOATJ\n\n PROD( HC5P ) = RXRAT( 79 ) ! HC5+HO=HC5P+0.1340D-02*ASOATJ\n & + 2.0000D-02 * RXRAT( 133 ) ! OLT+O3=0.2000D-01*HC5P+...\n & + 7.9400D-02 * RXRAT( 494 ) ! VROCN2OXY4+HO=0.7940D-...\n & + 9.2500D-02 * RXRAT( 495 ) ! VROCN2OXY2+HO=0.9250D-...\n & + 1.8400D-01 * RXRAT( 496 ) ! VROCN1OXY6+HO=0.1840D+...\n & + 1.7530D-01 * RXRAT( 497 ) ! VROCN1OXY3+HO=0.1753D+...\n & + 5.3700D-02 * RXRAT( 498 ) ! VROCN1OXY1+HO=0.5370D-...\n & + 1.0680D-01 * RXRAT( 499 ) ! VROCP0OXY4+HO=0.1068D+...\n & + 1.0550D-01 * RXRAT( 500 ) ! VROCP0OXY2+HO=0.1055D+...\n & + 2.2200D-01 * RXRAT( 501 ) ! VROCP1OXY3+HO=0.2220D+...\n & + 6.5400D-02 * RXRAT( 502 ) ! VROCP1OXY1+HO=0.6540D-...\n & + 1.4890D-01 * RXRAT( 503 ) ! VROCP2OXY2+HO=0.1489D+...\n & + 1.6560D-01 * RXRAT( 504 ) ! VROCP3OXY2+HO=0.1656D+...\n & + 1.7300D-01 * RXRAT( 505 ) ! VROCP4OXY2+HO=0.1730D+...\n & + 1.2800D-01 * RXRAT( 506 ) ! VROCP5OXY1+HO=0.1280D+...\n & + 1.5440D-01 * RXRAT( 507 ) ! VROCP6OXY1+HO=0.1544D+...\n LOSS( HC5P ) = RXRAT( 176 ) ! HC5P+NO=0.2000D+00*HO2+...\n & + RXRAT( 219 ) ! HC5P+HO2=OP2\n & + RXRAT( 258 ) ! HC5P+MO2=0.8420D+00*HO2+...\n & + RXRAT( 295 ) ! HC5P+ACO3=0.3420D+00*HO2+...\n & + RXRAT( 334 ) ! HC5P+NO3=0.4880D+00*HO2+...\n\n PROD( ETE ) = 2.5000D-01 * RXRAT( 386 ) ! ACRO=0.2500D+00*ETE+...\n & + 1.7000D-01 * RXRAT( 393 ) ! BDE13+O3=0.1700D+00*ETE+...\n LOSS( ETE ) = RXRAT( 80 ) ! ETE+HO=ETEP\n & + RXRAT( 132 ) ! ETE+O3=0.8000D-01*HO+...\n & + RXRAT( 147 ) ! ETE+NO3=0.8000D+00*OLNN+...\n\n PROD( ETEP ) = RXRAT( 80 ) ! ETE+HO=ETEP\n LOSS( ETEP ) = RXRAT( 177 ) ! ETEP+NO=HO2+NO2+0.1600D+...\n & + RXRAT( 220 ) ! ETEP+HO2=OP2\n & + RXRAT( 259 ) ! ETEP+MO2=HO2+0.1950D+...\n & + RXRAT( 296 ) ! ETEP+ACO3=0.5000D+00*HO2+...\n & + RXRAT( 335 ) ! ETEP+NO3=HO2+NO2+0.1600D+...\n\n PROD( OLT ) = 1.5300D-01 * RXRAT( 135 ) ! ISO+O3=0.1530D+00*OLT+...\n & + 2.5000D-01 * RXRAT( 391 ) ! BDE13P+MO2=0.2500D+00*OLT+...\n LOSS( OLT ) = RXRAT( 81 ) ! OLT+HO=OLTP\n & + RXRAT( 133 ) ! OLT+O3=0.2200D+00*HO+...\n & + RXRAT( 148 ) ! OLT+NO3=0.4300D+00*OLNN+...\n\n PROD( OLTP ) = RXRAT( 81 ) ! OLT+HO=OLTP\n LOSS( OLTP ) = RXRAT( 178 ) ! OLTP+NO=0.7800D+00*HO2+...\n & + RXRAT( 221 ) ! OLTP+HO2=OP2\n & + RXRAT( 260 ) ! OLTP+MO2=HO2+0.1500D+...\n & + RXRAT( 297 ) ! OLTP+ACO3=0.5000D+00*HO2+...\n & + RXRAT( 336 ) ! OLTP+NO3=0.4700D+00*ALD+...\n\n PROD( OLI ) = 3.8500D-01 * RXRAT( 344 ) ! LIMP1+NO3=0.3850D+00*OLI+...\n LOSS( OLI ) = RXRAT( 82 ) ! OLI+HO=OLIP\n & + RXRAT( 134 ) ! OLI+O3=0.4600D+00*HO+...\n & + RXRAT( 149 ) ! OLI+NO3=0.1100D+00*OLNN+...\n\n PROD( OLIP ) = RXRAT( 82 ) ! OLI+HO=OLIP\n LOSS( OLIP ) = RXRAT( 179 ) ! OLIP+NO=0.8300D+00*HO2+...\n & + RXRAT( 222 ) ! OLIP+HO2=OP2\n & + RXRAT( 261 ) ! OLIP+MO2=HO2+0.7500D+...\n & + RXRAT( 298 ) ! OLIP+ACO3=0.5000D+00*HO2+...\n & + RXRAT( 337 ) ! OLIP+NO3=0.8600D+00*HO2+...\n\n PROD( ACE ) = 0.0D0\n LOSS( ACE ) = RXRAT( 83 ) ! ACE+HO=0.6500D+00*HO+...\n\n PROD( ORA1 ) = 3.5000D-01 * RXRAT( 83 ) ! ACE+HO=0.3500D+00*ORA1+...\n & + 3.7000D-01 * RXRAT( 132 ) ! ETE+O3=0.3700D+00*ORA1+...\n & + 3.0000D-02 * RXRAT( 133 ) ! OLT+O3=0.3000D-01*ORA1+...\n & + 2.8000D-01 * RXRAT( 135 ) ! ISO+O3=0.2800D+00*ORA1+...\n & + 4.5000D-01 * RXRAT( 140 ) ! MACR+O3=0.4500D+00*ORA1+...\n & + 7.0000D-02 * RXRAT( 141 ) ! MVK+O3=0.7000D-01*ORA1+...\n & + 4.4000D-02 * RXRAT( 142 ) ! UALD+O3=0.4400D-01*ORA1+...\n & + 2.5000D-01 * RXRAT( 145 ) ! DCB3+O3=0.2500D+00*ORA1+...\n LOSS( ORA1 ) = RXRAT( 122 ) ! ORA1+HO=HO2\n\n PROD( BEN ) = 3.2000D-02 * RXRAT( 133 ) ! OLT+O3=0.3200D-01*BEN+...\n LOSS( BEN ) = RXRAT( 84 ) ! BEN+HO=0.4700D+00*BENP+...\n\n PROD( BENP ) = 4.7000D-01 * RXRAT( 84 ) ! BEN+HO=0.4700D+00*BENP+...\n LOSS( BENP ) = RXRAT( 180 ) ! BENP+NO=0.0000D+00*ONIT+...\n & + RXRAT( 223 ) ! BENP+HO2=0.6021D+00*OP2+...\n & + RXRAT( 262 ) ! BENP+MO2=0.6800D+00*HCHO+...\n & + RXRAT( 299 ) ! BENP+ACO3=0.7000D+00*MO2+...\n & + RXRAT( 338 ) ! BENP+NO3=NO2+HO2+0.0000D+...\n\n PROD( PHEN ) = 5.3000D-01 * RXRAT( 84 ) ! BEN+HO=0.5300D+00*PHEN+...\n LOSS( PHEN ) = RXRAT( 109 ) ! PHEN+HO=0.1520D+00*ASOATJ+...\n & + RXRAT( 161 ) ! PHEN+NO3=0.1520D+00*ASOATJ+...\n\n PROD( TOL ) = 0.0D0\n LOSS( TOL ) = RXRAT( 85 ) ! TOL+HO=0.8200D+00*TOLP+...\n\n PROD( TOLP ) = 8.2000D-01 * RXRAT( 85 ) ! TOL+HO=0.8200D+00*TOLP+...\n LOSS( TOLP ) = RXRAT( 181 ) ! TOLP+NO=0.2000D-03*ONIT+...\n & + RXRAT( 224 ) ! TOLP+HO2=0.7195D+00*OP2+...\n & + RXRAT( 263 ) ! TOLP+MO2=0.6800D+00*HCHO+...\n & + RXRAT( 300 ) ! TOLP+ACO3=0.7000D+00*MO2+...\n & + RXRAT( 339 ) ! TOLP+NO3=NO2+0.9146D+...\n\n PROD( CSL ) = 1.8000D-01 * RXRAT( 85 ) ! TOL+HO=0.1800D+00*CSL+...\n & + 1.7000D-01 * RXRAT( 86 ) ! XYM+HO=0.1700D+00*CSL+...\n & + 1.8000D-01 * RXRAT( 87 ) ! XYE+HO=0.1800D+00*CSL+...\n & + RXRAT( 248 ) ! CHO+HO2=CSL\n LOSS( CSL ) = RXRAT( 110 ) ! CSL+HO=0.2000D+00*ASOATJ+...\n & + RXRAT( 162 ) ! CSL+NO3=0.2000D+00*ASOATJ+...\n\n PROD( XYM ) = 0.0D0\n LOSS( XYM ) = RXRAT( 86 ) ! XYM+HO=0.8300D+00*XYMP+...\n\n PROD( XYMP ) = 8.3000D-01 * RXRAT( 86 ) ! XYM+HO=0.8300D+00*XYMP+...\n LOSS( XYMP ) = RXRAT( 182 ) ! XYMP+NO=0.1000D-03*ONIT+...\n & + RXRAT( 225 ) ! XYMP+HO2=0.4820D-01*OP2+...\n & + RXRAT( 264 ) ! XYMP+MO2=0.6800D+00*HCHO+...\n & + RXRAT( 301 ) ! XYMP+ACO3=0.7000D+00*MO2+...\n & + RXRAT( 340 ) ! XYMP+NO3=NO2+0.9518D+...\n\n PROD( XYE ) = 0.0D0\n LOSS( XYE ) = RXRAT( 87 ) ! XYE+HO=0.8200D+00*XYEP+...\n\n PROD( XYEP ) = 8.2000D-01 * RXRAT( 87 ) ! XYE+HO=0.8200D+00*XYEP+...\n LOSS( XYEP ) = RXRAT( 183 ) ! XYEP+NO=0.2000D-03*ONIT+...\n & + RXRAT( 226 ) ! XYEP+HO2=0.8540D-01*OP2+...\n & + RXRAT( 265 ) ! XYEP+MO2=0.6800D+00*HCHO+...\n & + RXRAT( 302 ) ! XYEP+ACO3=0.7000D+00*MO2+...\n & + RXRAT( 341 ) ! XYEP+NO3=NO2+0.9146D+...\n\n PROD( ISO ) = 0.0D0\n LOSS( ISO ) = RXRAT( 88 ) ! ISO+HO=ISOP\n & + RXRAT( 135 ) ! ISO+O3=0.2500D+00*HO+...\n & + RXRAT( 150 ) ! ISO+NO3=ISON\n\n PROD( ISOP ) = RXRAT( 88 ) ! ISO+HO=ISOP\n LOSS( ISOP ) = RXRAT( 184 ) ! ISOP+NO=0.8800D+00*HO2+...\n & + RXRAT( 227 ) ! ISOP+HO2=ISHP\n & + RXRAT( 266 ) ! ISOP+MO2=HO2+0.1310D+...\n & + RXRAT( 303 ) ! ISOP+ACO3=0.5000D+00*HO2+...\n & + RXRAT( 342 ) ! ISOP+NO3=HO2+NO2+0.7500D+...\n & + RXRAT( 370 ) ! ISOP+APIP2=0.9600D+00*HOM+...\n & + RXRAT( 373 ) ! ISOP+LIMP2=0.9600D+00*HOM+...\n & + RXRAT( 376 ) ! ISOP+APINP2=0.9600D+00*HOM+...\n & + RXRAT( 379 ) ! ISOP+LIMNP2=0.9600D+00*HOM+...\n\n PROD( API ) = 0.0D0\n LOSS( API ) = RXRAT( 89 ) ! API+HO=0.9750D+00*APIP1+...\n & + RXRAT( 136 ) ! API+O3=0.9000D+00*HO+...\n & + RXRAT( 151 ) ! API+NO3=0.9750D+00*APINP1+...\n\n PROD( APIP1 ) = 9.7500D-01 * RXRAT( 89 ) ! API+HO=0.9750D+00*APIP1+...\n & + 9.0000D-01 * RXRAT( 136 ) ! API+O3=0.9000D+00*APIP1+...\n LOSS( APIP1 ) = RXRAT( 185 ) ! APIP1+NO=0.8200D+00*HO2+...\n & + RXRAT( 228 ) ! APIP1+HO2=OPB\n & + RXRAT( 267 ) ! APIP1+MO2=HO2+0.6800D+...\n & + RXRAT( 304 ) ! APIP1+ACO3=0.6300D+00*HO2+...\n & + RXRAT( 343 ) ! APIP1+NO3=HO2+NO2+ALD+KET\n & + RXRAT( 368 ) ! APIP1+APIP2=0.9600D+00*HOM+...\n & + RXRAT( 371 ) ! APIP1+LIMP2=0.9600D+00*HOM+...\n & + RXRAT( 374 ) ! APIP1+APINP2=0.9600D+...\n & + RXRAT( 377 ) ! APIP1+LIMNP2=0.9600D+...\n\n PROD( APIP2 ) = 2.5000D-02 * RXRAT( 89 ) ! API+HO=0.2500D-01*APIP2+...\n & + 5.0000D-02 * RXRAT( 136 ) ! API+O3=0.5000D-01*APIP2+...\n LOSS( APIP2 ) = RXRAT( 186 ) ! APIP2+NO=0.8200D+00*HO+...\n & + RXRAT( 229 ) ! APIP2+HO2=HOM\n & + RXRAT( 268 ) ! APIP2+MO2=HO2+0.7500D+...\n & + RXRAT( 305 ) ! APIP2+ACO3=0.5000D+00*HO+...\n & + RXRAT( 368 ) ! APIP2+APIP1=0.9600D+00*HOM+...\n & + RXRAT( 369 ) ! APIP2+LIMP1=0.9600D+00*HOM+...\n & + RXRAT( 370 ) ! APIP2+ISOP=0.9600D+00*HOM+...\n\n PROD( LIM ) = 0.0D0\n LOSS( LIM ) = RXRAT( 90 ) ! LIM+HO=0.9450D+00*LIMP1+...\n & + RXRAT( 137 ) ! LIM+O3=0.8400D+00*HO+...\n & + RXRAT( 152 ) ! LIM+NO3=0.9450D+00*LIMNP1+...\n\n PROD( LIMP1 ) = 9.4500D-01 * RXRAT( 90 ) ! LIM+HO=0.9450D+00*LIMP1+...\n & + 8.4000D-01 * RXRAT( 137 ) ! LIM+O3=0.8400D+00*LIMP1+...\n LOSS( LIMP1 ) = RXRAT( 189 ) ! LIMP1+NO=0.7700D+00*HO2+...\n & + RXRAT( 232 ) ! LIMP1+HO2=OPB\n & + RXRAT( 271 ) ! LIMP1+MO2=HO2+HCHO+0.4200D+...\n & + RXRAT( 308 ) ! LIMP1+ACO3=0.6300D+00*HO2+...\n & + RXRAT( 344 ) ! LIMP1+NO3=HO2+NO2+0.3850D+...\n & + RXRAT( 369 ) ! LIMP1+APIP2=0.9600D+00*HOM+...\n & + RXRAT( 372 ) ! LIMP1+LIMP2=0.9600D+00*HOM+...\n & + RXRAT( 375 ) ! LIMP1+APINP2=0.9600D+...\n & + RXRAT( 378 ) ! LIMP1+LIMNP2=0.9600D+...\n\n PROD( LIMP2 ) = 5.5000D-02 * RXRAT( 90 ) ! LIM+HO=0.5500D-01*LIMP2+...\n & + 1.1000D-01 * RXRAT( 137 ) ! LIM+O3=0.1100D+00*LIMP2+...\n LOSS( LIMP2 ) = RXRAT( 190 ) ! LIMP2+NO=0.7700D+00*HO+...\n & + RXRAT( 233 ) ! LIMP2+HO2=HOM\n & + RXRAT( 272 ) ! LIMP2+MO2=HO2+0.7500D+...\n & + RXRAT( 309 ) ! LIMP2+ACO3=0.5000D+00*HO+...\n & + RXRAT( 371 ) ! LIMP2+APIP1=0.9600D+00*HOM+...\n & + RXRAT( 372 ) ! LIMP2+LIMP1=0.9600D+00*HOM+...\n & + RXRAT( 373 ) ! LIMP2+ISOP=0.9600D+00*HOM+...\n\n PROD( PINALP ) = 2.3000D-01 * RXRAT( 91 ) ! PINAL+HO=0.2300D+00*PINALP+...\n LOSS( PINALP ) = RXRAT( 165 ) ! PINALP=HOM\n & + RXRAT( 193 ) ! PINALP+NO=0.9500D+00*HO2+...\n & + RXRAT( 236 ) ! PINALP+HO2=OPB\n\n PROD( RCO3 ) = 7.7000D-01 * RXRAT( 91 ) ! PINAL+HO=0.7700D+00*RCO3+...\n & + 3.0000D-01 * RXRAT( 92 ) ! LIMAL+HO=0.3000D+00*RCO3+...\n & + RXRAT( 95 ) ! ALD+HO=RCO3\n & + 6.0000D-01 * RXRAT( 143 ) ! DCB1+O3=0.6000D+00*RCO3+...\n & + 6.0000D-01 * RXRAT( 144 ) ! DCB2+O3=0.6000D+00*RCO3+...\n & + RXRAT( 156 ) ! ALD+NO3=RCO3+HNO3\n & + RXRAT( 170 ) ! PPN=RCO3+NO2\n LOSS( RCO3 ) = RXRAT( 169 ) ! RCO3+NO2=PPN\n & + RXRAT( 196 ) ! RCO3+NO=ETHP+NO2\n & + RXRAT( 239 ) ! RCO3+HO2=0.4400D+00*HO+...\n & + RXRAT( 276 ) ! RCO3+MO2=0.9000D+00*HO2+...\n & + RXRAT( 313 ) ! RCO3+ACO3=MO2+ETHP\n & + 2.0000D+00 * RXRAT( 330 ) ! RCO3+RCO3=0.2000D+01*ETHP\n & + RXRAT( 346 ) ! RCO3+NO3=ETHP+NO2\n & + RXRAT( 366 ) ! RCO3+XO2=ETHP\n\n PROD( LIMALP ) = 7.0000D-01 * RXRAT( 92 ) ! LIMAL+HO=0.7000D+00*LIMALP+...\n LOSS( LIMALP ) = RXRAT( 166 ) ! LIMALP=HOM\n & + RXRAT( 194 ) ! LIMALP+NO=0.9400D+00*HO2+...\n & + RXRAT( 237 ) ! LIMALP+HO2=OPB\n\n PROD( ACTP ) = RXRAT( 96 ) ! ACT+HO=ACTP\n LOSS( ACTP ) = RXRAT( 197 ) ! ACTP+NO=ACO3+NO2+HCHO\n & + RXRAT( 240 ) ! ACTP+HO2=0.1500D+00*HO+...\n & + RXRAT( 277 ) ! ACTP+MO2=0.5000D+00*HO2+...\n & + RXRAT( 314 ) ! ACTP+ACO3=0.5000D+00*MO2+...\n & + RXRAT( 347 ) ! ACTP+NO3=ACO3+NO2+HCHO\n\n PROD( MEKP ) = RXRAT( 97 ) ! MEK+HO=MEKP\n & + 2.5810D-01 * RXRAT( 493 ) ! VROCN2OXY8+HO=0.2581D+...\n & + 7.9400D-02 * RXRAT( 494 ) ! VROCN2OXY4+HO=0.7940D-...\n & + 3.9000D-02 * RXRAT( 495 ) ! VROCN2OXY2+HO=0.3900D-...\n & + 1.8400D-01 * RXRAT( 496 ) ! VROCN1OXY6+HO=0.1840D+...\n & + 6.4600D-02 * RXRAT( 497 ) ! VROCN1OXY3+HO=0.6460D-...\n & + 2.4400D-02 * RXRAT( 498 ) ! VROCN1OXY1+HO=0.2440D-...\n & + 1.0680D-01 * RXRAT( 499 ) ! VROCP0OXY4+HO=0.1068D+...\n & + 4.4500D-02 * RXRAT( 500 ) ! VROCP0OXY2+HO=0.4450D-...\n & + 8.1800D-02 * RXRAT( 501 ) ! VROCP1OXY3+HO=0.8180D-...\n & + 2.9700D-02 * RXRAT( 502 ) ! VROCP1OXY1+HO=0.2970D-...\n & + 6.2800D-02 * RXRAT( 503 ) ! VROCP2OXY2+HO=0.6280D-...\n & + 6.9800D-02 * RXRAT( 504 ) ! VROCP3OXY2+HO=0.6980D-...\n & + 7.8600D-02 * RXRAT( 505 ) ! VROCP4OXY2+HO=0.7860D-...\n & + 5.2600D-02 * RXRAT( 506 ) ! VROCP5OXY1+HO=0.5260D-...\n & + 5.7100D-02 * RXRAT( 507 ) ! VROCP6OXY1+HO=0.5710D-...\n & + 2.2660D-01 * RXRAT( 508 ) ! OP3+HO=0.2266D+00*MEKP+...\n LOSS( MEKP ) = RXRAT( 198 ) ! MEKP+NO=0.6700D+00*HO2+NO2+...\n & + RXRAT( 241 ) ! MEKP+HO2=OP2\n & + RXRAT( 278 ) ! MEKP+MO2=0.8340D+00*HO2+...\n & + RXRAT( 315 ) ! MEKP+ACO3=0.3300D+00*HO2+...\n & + RXRAT( 348 ) ! MEKP+NO3=0.6700D+00*HO2+...\n\n PROD( KETP ) = RXRAT( 98 ) ! KET+HO=KETP\n & + 7.9400D-02 * RXRAT( 494 ) ! VROCN2OXY4+HO=0.7940D-...\n & + 1.0680D-01 * RXRAT( 499 ) ! VROCP0OXY4+HO=0.1068D+...\n LOSS( KETP ) = RXRAT( 199 ) ! KETP+NO=0.7700D+00*HO2+...\n & + RXRAT( 242 ) ! KETP+HO2=OP2\n & + RXRAT( 279 ) ! KETP+MO2=HO2+0.7500D+...\n & + RXRAT( 316 ) ! KETP+ACO3=0.5000D+00*HO2+...\n & + RXRAT( 349 ) ! KETP+NO3=HO2+NO2+DCB1\n\n PROD( MCP ) = 4.3000D-01 * RXRAT( 100 ) ! MACR+HO=0.4300D+00*MCP+...\n & + 4.3000D-01 * RXRAT( 383 ) ! ACRO+HO=0.4300D+00*MCP+...\n LOSS( MCP ) = RXRAT( 201 ) ! MCP+NO=NO2+0.5000D+00*HO2+...\n & + RXRAT( 244 ) ! MCP+HO2=MAHP\n & + RXRAT( 281 ) ! MCP+MO2=NO2+HO2+0.1500D+...\n & + RXRAT( 318 ) ! MCP+ACO3=NO2+0.5000D+...\n & + RXRAT( 351 ) ! MCP+NO3=NO2+HO2+HCHO+HKET\n\n PROD( MVKP ) = RXRAT( 101 ) ! MVK+HO=MVKP\n LOSS( MVKP ) = RXRAT( 202 ) ! MVKP+NO=0.3000D+00*HO2+...\n & + RXRAT( 245 ) ! MVKP+HO2=OP2\n & + RXRAT( 282 ) ! MVKP+MO2=HO2+0.1160D+...\n & + RXRAT( 319 ) ! MVKP+ACO3=0.5000D+00*HO2+...\n & + RXRAT( 352 ) ! MVKP+NO3=0.3000D+00*HO2+...\n\n PROD( UALP ) = 6.8700D-01 * RXRAT( 102 ) ! UALD+HO=0.6870D+00*UALP+...\n LOSS( UALP ) = RXRAT( 203 ) ! UALP+NO=HO2+NO2+0.6100D+...\n & + RXRAT( 246 ) ! UALP+HO2=OP2\n & + RXRAT( 283 ) ! UALP+MO2=HO2+0.3050D+00*CO+...\n & + RXRAT( 320 ) ! UALP+ACO3=0.5000D+00*HO2+...\n & + RXRAT( 353 ) ! UALP+NO3=HO2+NO2+0.6100D+...\n\n PROD( DCB3 ) = 2.4950D-01 * RXRAT( 180 ) ! BENP+NO=0.2495D+00*DCB3+...\n & + 2.5000D-01 * RXRAT( 262 ) ! BENP+MO2=0.2500D+00*DCB3+...\n & + 2.5000D-01 * RXRAT( 299 ) ! BENP+ACO3=0.2500D+00*DCB3+...\n & + 2.5000D-01 * RXRAT( 338 ) ! BENP+NO3=0.2500D+00*DCB3+...\n & + 2.0000D-01 * RXRAT( 400 ) ! FURAN+NO3=0.2000D+00*DCB3+...\n LOSS( DCB3 ) = RXRAT( 107 ) ! DCB3+HO=0.5600D+00*HO2+...\n & + RXRAT( 145 ) ! DCB3+O3=0.5000D-01*HO+HO2+...\n\n PROD( BALP ) = RXRAT( 108 ) ! BALD+HO=BALP\n LOSS( BALP ) = RXRAT( 204 ) ! BALP+NO=BAL1+NO2\n & + RXRAT( 284 ) ! BALP+MO2=HO2+BAL1+HCHO\n & + RXRAT( 321 ) ! BALP+ACO3=MO2+BAL1\n & + RXRAT( 354 ) ! BALP+NO3=BAL1+NO2\n\n PROD( ADDC ) = 1.7000D-01 * RXRAT( 109 ) ! PHEN+HO=0.1700D+00*ADDC+...\n & + 1.6000D-01 * RXRAT( 110 ) ! CSL+HO=0.1600D+00*ADDC+...\n & + 8.5000D-01 * RXRAT( 161 ) ! PHEN+NO3=0.8500D+00*ADDC+...\n & + 8.0000D-02 * RXRAT( 162 ) ! CSL+NO3=0.8000D-01*ADDC+...\n LOSS( ADDC ) = RXRAT( 206 ) ! ADDC+NO=HO2+NO2+0.3200D+...\n & + RXRAT( 247 ) ! ADDC+HO2=OP2\n & + RXRAT( 286 ) ! ADDC+MO2=0.2000D+01*HO2+...\n & + RXRAT( 323 ) ! ADDC+ACO3=0.2000D+01*HO2+...\n & + RXRAT( 356 ) ! ADDC+NO3=HO2+NO2+0.3200D+...\n\n PROD( MCT ) = 6.1900D-01 * RXRAT( 109 ) ! PHEN+HO=0.6190D+00*MCT+...\n & + 5.8400D-01 * RXRAT( 110 ) ! CSL+HO=0.5840D+00*MCT+...\n LOSS( MCT ) = RXRAT( 111 ) ! MCT+HO=MCTO\n & + RXRAT( 163 ) ! MCT+NO3=MCTO+HNO3\n\n PROD( MCTO ) = RXRAT( 111 ) ! MCT+HO=MCTO\n & + RXRAT( 163 ) ! MCT+NO3=MCTO+HNO3\n & + RXRAT( 207 ) ! MCTP+NO=MCTO+NO2\n & + RXRAT( 287 ) ! MCTP+MO2=MCTO+HO2+HCHO\n & + RXRAT( 324 ) ! MCTP+ACO3=MCTO+MO2+HO2\n & + RXRAT( 357 ) ! MCTP+NO3=MCTO+NO2\n LOSS( MCTO ) = RXRAT( 146 ) ! MCTO+O3=MCTP\n & + RXRAT( 215 ) ! MCTO+NO2=ONIT\n\n PROD( MOH ) = 6.3000D-01 * RXRAT( 255 ) ! MO2+MO2=0.6300D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 256 ) ! ETHP+MO2=0.2500D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 257 ) ! HC3P+MO2=0.2500D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 258 ) ! HC5P+MO2=0.2500D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 259 ) ! ETEP+MO2=0.2500D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 260 ) ! OLTP+MO2=0.2500D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 261 ) ! OLIP+MO2=0.2500D+00*MOH+...\n & + 3.2000D-01 * RXRAT( 262 ) ! BENP+MO2=0.3200D+00*MOH+...\n & + 3.2000D-01 * RXRAT( 263 ) ! TOLP+MO2=0.3200D+00*MOH+...\n & + 3.2000D-01 * RXRAT( 264 ) ! XYMP+MO2=0.3200D+00*MOH+...\n & + 3.2000D-01 * RXRAT( 265 ) ! XYEP+MO2=0.3200D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 266 ) ! ISOP+MO2=0.2500D+00*MOH+...\n & + 3.2000D-01 * RXRAT( 267 ) ! APIP1+MO2=0.3200D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 268 ) ! APIP2+MO2=0.2500D+00*MOH+...\n & + 3.2000D-01 * RXRAT( 269 ) ! APINP1+MO2=0.3200D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 270 ) ! APINP2+MO2=0.2500D+00*MOH+...\n & + 3.2000D-01 * RXRAT( 271 ) ! LIMP1+MO2=0.3200D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 272 ) ! LIMP2+MO2=0.2500D+00*MOH+...\n & + 3.2000D-01 * RXRAT( 273 ) ! LIMNP1+MO2=0.3200D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 274 ) ! LIMNP2+MO2=0.2500D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 277 ) ! ACTP+MO2=0.2500D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 278 ) ! MEKP+MO2=0.2500D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 279 ) ! KETP+MO2=0.2500D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 280 ) ! MACP+MO2=0.2500D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 281 ) ! MCP+MO2=0.2500D+00*MOH+HO2+...\n & + 2.5000D-01 * RXRAT( 282 ) ! MVKP+MO2=0.2500D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 283 ) ! UALP+MO2=0.2500D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 290 ) ! OLND+MO2=0.2500D+00*MOH+...\n & + 3.2000D-01 * RXRAT( 391 ) ! BDE13P+MO2=0.3200D+00*MOH+...\n & + 3.2000D-01 * RXRAT( 479 ) ! VROCP6AROP+MO2=0.3200D+...\n & + 3.2000D-01 * RXRAT( 485 ) ! VROCP5AROP+MO2=0.3200D+...\n & + 3.2000D-01 * RXRAT( 491 ) ! NAPHP+MO2=0.3200D+00*MOH+...\n LOSS( MOH ) = RXRAT( 112 ) ! MOH+HO=HO2+HCHO\n\n PROD( EOH ) = 2.5000D-01 * RXRAT( 256 ) ! ETHP+MO2=0.2500D+00*EOH+...\n LOSS( EOH ) = RXRAT( 113 ) ! EOH+HO=HO2+ACD\n\n PROD( ROH ) = 2.5000D-01 * RXRAT( 257 ) ! HC3P+MO2=0.2500D+00*ROH+...\n & + 2.5000D-01 * RXRAT( 258 ) ! HC5P+MO2=0.2500D+00*ROH+...\n & + 2.5000D-01 * RXRAT( 260 ) ! OLTP+MO2=0.2500D+00*ROH+...\n & + 2.5000D-01 * RXRAT( 261 ) ! OLIP+MO2=0.2500D+00*ROH+...\n & + 2.5000D-01 * RXRAT( 266 ) ! ISOP+MO2=0.2500D+00*ROH+...\n & + 2.5000D-01 * RXRAT( 267 ) ! APIP1+MO2=0.2500D+00*ROH+...\n & + 2.7000D-01 * RXRAT( 271 ) ! LIMP1+MO2=0.2700D+00*ROH+...\n & + 2.5000D-01 * RXRAT( 277 ) ! ACTP+MO2=0.2500D+00*ROH+...\n & + 2.5000D-01 * RXRAT( 278 ) ! MEKP+MO2=0.2500D+00*ROH+...\n & + 2.5000D-01 * RXRAT( 279 ) ! KETP+MO2=0.2500D+00*ROH+...\n & + 2.5000D-01 * RXRAT( 280 ) ! MACP+MO2=0.2500D+00*ROH+...\n & + 2.5000D-01 * RXRAT( 281 ) ! MCP+MO2=0.2500D+00*ROH+HO2+...\n & + 2.5000D-01 * RXRAT( 282 ) ! MVKP+MO2=0.2500D+00*ROH+...\n & + 2.5000D-01 * RXRAT( 283 ) ! UALP+MO2=0.2500D+00*ROH+...\n & + 2.5000D-01 * RXRAT( 290 ) ! OLND+MO2=0.2500D+00*ROH+...\n & + 2.5000D-01 * RXRAT( 304 ) ! APIP1+ACO3=0.2500D+00*ROH+...\n & + 2.7000D-01 * RXRAT( 308 ) ! LIMP1+ACO3=0.2700D+00*ROH+...\n & + 4.8000D-01 * RXRAT( 368 ) ! APIP2+APIP1=0.4800D+00*ROH+...\n & + 4.8000D-01 * RXRAT( 369 ) ! APIP2+LIMP1=0.4800D+00*ROH+...\n & + 4.8000D-01 * RXRAT( 370 ) ! APIP2+ISOP=0.4800D+00*ROH+...\n & + 4.8000D-01 * RXRAT( 371 ) ! LIMP2+APIP1=0.4800D+00*ROH+...\n & + 4.8000D-01 * RXRAT( 372 ) ! LIMP2+LIMP1=0.4800D+00*ROH+...\n & + 4.8000D-01 * RXRAT( 373 ) ! LIMP2+ISOP=0.4800D+00*ROH+...\n & + 4.8000D-01 * RXRAT( 374 ) ! APINP2+APIP1=0.4800D+...\n & + 4.8000D-01 * RXRAT( 375 ) ! APINP2+LIMP1=0.4800D+...\n & + 4.8000D-01 * RXRAT( 376 ) ! APINP2+ISOP=0.4800D+00*ROH+...\n & + 4.8000D-01 * RXRAT( 377 ) ! LIMNP2+APIP1=0.4800D+...\n & + 4.8000D-01 * RXRAT( 378 ) ! LIMNP2+LIMP1=0.4800D+...\n & + 4.8000D-01 * RXRAT( 379 ) ! LIMNP2+ISOP=0.4800D+00*ROH+...\n LOSS( ROH ) = RXRAT( 114 ) ! ROH+HO=HO2+0.7190D+00*ALD+...\n\n PROD( ETEG ) = 2.5000D-01 * RXRAT( 259 ) ! ETEP+MO2=0.2500D+00*ETEG+...\n LOSS( ETEG ) = RXRAT( 115 ) ! ETEG+HO=HO2+ALD\n\n PROD( ISHP ) = RXRAT( 227 ) ! ISOP+HO2=ISHP\n LOSS( ISHP ) = RXRAT( 120 ) ! ISHP+HO=HO+MACR+0.9040D+...\n\n PROD( IEPOX ) = 9.0400D-01 * RXRAT( 120 ) ! ISHP+HO=0.9040D+00*IEPOX+...\n LOSS( IEPOX ) = RXRAT( 380 ) ! IEPOX+HO=HO\n & + RXRAT( 416 ) ! IEPOX=IEPOXP\n\n PROD( MAHP ) = RXRAT( 243 ) ! MACP+HO2=MAHP\n & + RXRAT( 244 ) ! MCP+HO2=MAHP\n LOSS( MAHP ) = RXRAT( 121 ) ! MAHP+HO=MACP\n\n PROD( ORA2 ) = 6.0000D-02 * RXRAT( 133 ) ! OLT+O3=0.6000D-01*ORA2+...\n & + 1.7000D-02 * RXRAT( 134 ) ! OLI+O3=0.1700D-01*ORA2+...\n & + 7.0000D-02 * RXRAT( 141 ) ! MVK+O3=0.7000D-01*ORA2+...\n & + 2.5000D-01 * RXRAT( 145 ) ! DCB3+O3=0.2500D+00*ORA2+...\n & + 1.5000D-01 * RXRAT( 238 ) ! ACO3+HO2=0.1500D+00*ORA2+...\n & + 1.5000D-01 * RXRAT( 239 ) ! RCO3+HO2=0.1500D+00*ORA2+...\n & + 1.0000D-01 * RXRAT( 275 ) ! ACO3+MO2=0.1000D+00*ORA2+...\n & + 1.0000D-01 * RXRAT( 276 ) ! RCO3+MO2=0.1000D+00*ORA2+...\n & + 1.2500D-01 * RXRAT( 277 ) ! ACTP+MO2=0.1250D+00*ORA2+...\n & + 6.7000D-02 * RXRAT( 280 ) ! MACP+MO2=0.6700D-01*ORA2+...\n & + 2.9200D-01 * RXRAT( 282 ) ! MVKP+MO2=0.2920D+00*ORA2+...\n & + 5.0000D-01 * RXRAT( 293 ) ! ETHP+ACO3=0.5000D+00*ORA2+...\n & + 5.0000D-01 * RXRAT( 294 ) ! HC3P+ACO3=0.5000D+00*ORA2+...\n & + 5.0000D-01 * RXRAT( 295 ) ! HC5P+ACO3=0.5000D+00*ORA2+...\n & + 5.0000D-01 * RXRAT( 296 ) ! ETEP+ACO3=0.5000D+00*ORA2+...\n & + 5.0000D-01 * RXRAT( 297 ) ! OLTP+ACO3=0.5000D+00*ORA2+...\n & + 5.0000D-01 * RXRAT( 298 ) ! OLIP+ACO3=0.5000D+00*ORA2+...\n & + 3.0000D-01 * RXRAT( 299 ) ! BENP+ACO3=0.3000D+00*ORA2+...\n & + 3.0000D-01 * RXRAT( 300 ) ! TOLP+ACO3=0.3000D+00*ORA2+...\n & + 3.0000D-01 * RXRAT( 301 ) ! XYMP+ACO3=0.3000D+00*ORA2+...\n & + 3.0000D-01 * RXRAT( 302 ) ! XYEP+ACO3=0.3000D+00*ORA2+...\n & + 5.0000D-01 * RXRAT( 303 ) ! ISOP+ACO3=0.5000D+00*ORA2+...\n & + 3.0000D-01 * RXRAT( 304 ) ! APIP1+ACO3=0.3000D+00*ORA2+...\n & + 5.0000D-01 * RXRAT( 305 ) ! APIP2+ACO3=0.5000D+00*ORA2+...\n & + 3.0000D-01 * RXRAT( 306 ) ! APINP1+ACO3=0.3000D+...\n & + 5.0000D-01 * RXRAT( 307 ) ! APINP2+ACO3=0.5000D+...\n & + 3.0000D-01 * RXRAT( 308 ) ! LIMP1+ACO3=0.3000D+00*ORA2+...\n & + 5.0000D-01 * RXRAT( 309 ) ! LIMP2+ACO3=0.5000D+00*ORA2+...\n & + 3.0000D-01 * RXRAT( 310 ) ! LIMNP1+ACO3=0.3000D+...\n & + 5.0000D-01 * RXRAT( 311 ) ! LIMNP2+ACO3=0.5000D+...\n & + 7.5000D-01 * RXRAT( 314 ) ! ACTP+ACO3=0.7500D+00*ORA2+...\n & + 5.0000D-01 * RXRAT( 315 ) ! MEKP+ACO3=0.5000D+00*ORA2+...\n & + 5.0000D-01 * RXRAT( 316 ) ! KETP+ACO3=0.5000D+00*ORA2+...\n & + 6.3500D-01 * RXRAT( 317 ) ! MACP+ACO3=0.6350D+00*ORA2+...\n & + 5.0000D-01 * RXRAT( 318 ) ! MCP+ACO3=0.5000D+00*ORA2+...\n & + 1.0830D+00 * RXRAT( 319 ) ! MVKP+ACO3=0.1083D+01*ORA2+...\n & + 5.0000D-01 * RXRAT( 320 ) ! UALP+ACO3=0.5000D+00*ORA2+...\n & + 5.0000D-01 * RXRAT( 327 ) ! OLND+ACO3=0.5000D+00*ORA2+...\n & + 3.0000D-01 * RXRAT( 392 ) ! BDE13P+ACO3=0.3000D+...\n & + 3.0000D-01 * RXRAT( 480 ) ! VROCP6AROP+ACO3=0.3000D+...\n & + 3.0000D-01 * RXRAT( 486 ) ! VROCP5AROP+ACO3=0.3000D+...\n & + 3.0000D-01 * RXRAT( 492 ) ! NAPHP+ACO3=0.3000D+00*ORA2+...\n LOSS( ORA2 ) = RXRAT( 123 ) ! ORA2+HO=0.6400D+00*MO2+...\n\n PROD( ORAP ) = 3.6000D-01 * RXRAT( 123 ) ! ORA2+HO=0.3600D+00*ORAP+...\n LOSS( ORAP ) = RXRAT( 208 ) ! ORAP+NO=NO2+GLY+HO2\n & + RXRAT( 250 ) ! ORAP+HO2=OP2\n & + RXRAT( 288 ) ! ORAP+MO2=HCHO+HO2+GLY\n & + RXRAT( 325 ) ! ORAP+ACO3=MO2+GLY\n & + RXRAT( 358 ) ! ORAP+NO3=NO2+GLY+HO2\n\n PROD( PPN ) = RXRAT( 169 ) ! RCO3+NO2=PPN\n LOSS( PPN ) = RXRAT( 126 ) ! PPN+HO=XO2+NO3+HCHO\n & + RXRAT( 170 ) ! PPN=RCO3+NO2\n\n PROD( MPAN ) = RXRAT( 171 ) ! MACP+NO2=MPAN\n LOSS( MPAN ) = RXRAT( 127 ) ! MPAN+HO=NO2+HKET\n & + RXRAT( 164 ) ! MPAN+NO3=MACP+NO2\n & + RXRAT( 172 ) ! MPAN=MACP+NO2\n\n PROD( TRPN ) = 1.8000D-01 * RXRAT( 185 ) ! APIP1+NO=0.1800D+00*TRPN+...\n & + 2.3000D-01 * RXRAT( 189 ) ! LIMP1+NO=0.2300D+00*TRPN+...\n & + 5.0000D-02 * RXRAT( 193 ) ! PINALP+NO=0.5000D-01*TRPN+...\n & + 6.0000D-02 * RXRAT( 194 ) ! LIMALP+NO=0.6000D-01*TRPN+...\n & + RXRAT( 230 ) ! APINP1+HO2=TRPN\n & + RXRAT( 234 ) ! LIMNP1+HO2=TRPN\n & + 1.4000D-01 * RXRAT( 269 ) ! APINP1+MO2=0.1400D+00*TRPN+...\n & + 3.0000D-01 * RXRAT( 273 ) ! LIMNP1+MO2=0.3000D+00*TRPN+...\n & + 1.4000D-01 * RXRAT( 306 ) ! APINP1+ACO3=0.1400D+...\n & + 3.0000D-01 * RXRAT( 310 ) ! LIMNP1+ACO3=0.3000D+...\n LOSS( TRPN ) = RXRAT( 129 ) ! TRPN+HO=HOM\n & + RXRAT( 139 ) ! TRPN+O3=HOM\n & + RXRAT( 153 ) ! TRPN+NO3=HOM\n\n PROD( HOM ) = RXRAT( 129 ) ! TRPN+HO=HOM\n & + RXRAT( 139 ) ! TRPN+O3=HOM\n & + RXRAT( 153 ) ! TRPN+NO3=HOM\n & + RXRAT( 165 ) ! PINALP=HOM\n & + RXRAT( 166 ) ! LIMALP=HOM\n & + RXRAT( 186 ) ! APIP2+NO=HOM+0.8200D+...\n & + RXRAT( 188 ) ! APINP2+NO=HOM+0.8200D+...\n & + RXRAT( 190 ) ! LIMP2+NO=HOM+0.7700D+...\n & + RXRAT( 192 ) ! LIMNP2+NO=HOM+0.7700D+...\n & + RXRAT( 229 ) ! APIP2+HO2=HOM\n & + RXRAT( 231 ) ! APINP2+HO2=HOM\n & + RXRAT( 233 ) ! LIMP2+HO2=HOM\n & + RXRAT( 235 ) ! LIMNP2+HO2=HOM\n & + RXRAT( 268 ) ! APIP2+MO2=HOM+0.7500D+...\n & + RXRAT( 270 ) ! APINP2+MO2=HOM+0.7500D+...\n & + RXRAT( 272 ) ! LIMP2+MO2=HOM+0.7500D+...\n & + RXRAT( 274 ) ! LIMNP2+MO2=HOM+0.7500D+...\n & + RXRAT( 305 ) ! APIP2+ACO3=HOM+0.5000D+...\n & + RXRAT( 307 ) ! APINP2+ACO3=HOM+0.5000D+...\n & + RXRAT( 309 ) ! LIMP2+ACO3=HOM+0.5000D+...\n & + RXRAT( 311 ) ! LIMNP2+ACO3=HOM+0.5000D+...\n & + 9.6000D-01 * RXRAT( 368 ) ! APIP2+APIP1=0.9600D+00*HOM+...\n & + 9.6000D-01 * RXRAT( 369 ) ! APIP2+LIMP1=0.9600D+00*HOM+...\n & + 9.6000D-01 * RXRAT( 370 ) ! APIP2+ISOP=0.9600D+00*HOM+...\n & + 9.6000D-01 * RXRAT( 371 ) ! LIMP2+APIP1=0.9600D+00*HOM+...\n & + 9.6000D-01 * RXRAT( 372 ) ! LIMP2+LIMP1=0.9600D+00*HOM+...\n & + 9.6000D-01 * RXRAT( 373 ) ! LIMP2+ISOP=0.9600D+00*HOM+...\n & + 9.6000D-01 * RXRAT( 374 ) ! APINP2+APIP1=0.9600D+...\n & + 9.6000D-01 * RXRAT( 375 ) ! APINP2+LIMP1=0.9600D+...\n & + 9.6000D-01 * RXRAT( 376 ) ! APINP2+ISOP=0.9600D+00*HOM+...\n & + 9.6000D-01 * RXRAT( 377 ) ! LIMNP2+APIP1=0.9600D+...\n & + 9.6000D-01 * RXRAT( 378 ) ! LIMNP2+LIMP1=0.9600D+...\n & + 9.6000D-01 * RXRAT( 379 ) ! LIMNP2+ISOP=0.9600D+00*HOM+...\n LOSS( HOM ) = 0.0D0\n\n PROD( NALD ) = RXRAT( 131 ) ! ISON+HO=NALD+0.7000D-...\n LOSS( NALD ) = RXRAT( 130 ) ! NALD+HO=NO2+XO2+HKET\n\n PROD( ISON ) = RXRAT( 150 ) ! ISO+NO3=ISON\n & + 1.2000D-01 * RXRAT( 184 ) ! ISOP+NO=0.1200D+00*ISON+...\n LOSS( ISON ) = RXRAT( 131 ) ! ISON+HO=NALD+0.7000D-...\n\n PROD( MCTP ) = RXRAT( 146 ) ! MCTO+O3=MCTP\n LOSS( MCTP ) = RXRAT( 207 ) ! MCTP+NO=MCTO+NO2\n & + RXRAT( 249 ) ! MCTP+HO2=OP2\n & + RXRAT( 287 ) ! MCTP+MO2=HO2+MCTO+HCHO\n & + RXRAT( 324 ) ! MCTP+ACO3=HO2+MO2+MCTO\n & + RXRAT( 357 ) ! MCTP+NO3=NO2+MCTO\n\n PROD( OLNN ) = 8.0000D-01 * RXRAT( 147 ) ! ETE+NO3=0.8000D+00*OLNN+...\n & + 4.3000D-01 * RXRAT( 148 ) ! OLT+NO3=0.4300D+00*OLNN+...\n & + 1.1000D-01 * RXRAT( 149 ) ! OLI+NO3=0.1100D+00*OLNN+...\n & + 9.0000D-01 * RXRAT( 394 ) ! BDE13+NO3=0.9000D+00*OLNN+...\n LOSS( OLNN ) = RXRAT( 209 ) ! OLNN+NO=NO2+HO2+ONIT\n & + RXRAT( 251 ) ! OLNN+HO2=ONIT\n & + RXRAT( 289 ) ! OLNN+MO2=0.2000D+01*HO2+...\n & + RXRAT( 326 ) ! OLNN+ACO3=HO2+MO2+ONIT\n & + RXRAT( 359 ) ! OLNN+NO3=HO2+NO2+ONIT\n & + 2.0000D+00 * RXRAT( 362 ) ! OLNN+OLNN=HO2+0.2000D+01*ONIT\n & + RXRAT( 363 ) ! OLNN+OLND=0.5000D+00*HO2+...\n\n PROD( OLND ) = 2.0000D-01 * RXRAT( 147 ) ! ETE+NO3=0.2000D+00*OLND+...\n & + 5.7000D-01 * RXRAT( 148 ) ! OLT+NO3=0.5700D+00*OLND+...\n & + 8.9000D-01 * RXRAT( 149 ) ! OLI+NO3=0.8900D+00*OLND+...\n & + 1.0000D-01 * RXRAT( 394 ) ! BDE13+NO3=0.1000D+00*OLND+...\n LOSS( OLND ) = RXRAT( 210 ) ! OLND+NO=0.2000D+01*NO2+...\n & + RXRAT( 252 ) ! OLND+HO2=ONIT\n & + RXRAT( 290 ) ! OLND+MO2=0.5000D+00*HO2+...\n & + RXRAT( 327 ) ! OLND+ACO3=0.5000D+00*MO2+...\n & + RXRAT( 360 ) ! OLND+NO3=0.2000D+01*NO2+...\n & + RXRAT( 363 ) ! OLND+OLNN=0.5000D+00*HO2+...\n & + 2.0000D+00 * RXRAT( 364 ) ! OLND+OLND=NO2+0.5040D+...\n\n PROD( APINP1 ) = 9.7500D-01 * RXRAT( 151 ) ! API+NO3=0.9750D+00*APINP1+...\n LOSS( APINP1 ) = RXRAT( 187 ) ! APINP1+NO=0.2000D+01*NO2+PINAL\n & + RXRAT( 230 ) ! APINP1+HO2=TRPN\n & + RXRAT( 269 ) ! APINP1+MO2=0.3700D+00*HO2+...\n & + RXRAT( 306 ) ! APINP1+ACO3=0.8600D+00*NO2+...\n\n PROD( APINP2 ) = 2.5000D-02 * RXRAT( 151 ) ! API+NO3=0.2500D-01*APINP2+...\n LOSS( APINP2 ) = RXRAT( 188 ) ! APINP2+NO=0.8200D+00*NO2+...\n & + RXRAT( 231 ) ! APINP2+HO2=HOM\n & + RXRAT( 270 ) ! APINP2+MO2=0.7500D+00*HO2+...\n & + RXRAT( 307 ) ! APINP2+ACO3=0.5000D+00*NO2+...\n & + RXRAT( 374 ) ! APINP2+APIP1=0.9600D+...\n & + RXRAT( 375 ) ! APINP2+LIMP1=0.9600D+...\n & + RXRAT( 376 ) ! APINP2+ISOP=0.9600D+00*HOM+...\n\n PROD( LIMNP1 ) = 9.4500D-01 * RXRAT( 152 ) ! LIM+NO3=0.9450D+00*LIMNP1+...\n LOSS( LIMNP1 ) = RXRAT( 191 ) ! LIMNP1+NO=0.2000D+01*NO2+LIMAL\n & + RXRAT( 234 ) ! LIMNP1+HO2=TRPN\n & + RXRAT( 273 ) ! LIMNP1+MO2=0.3700D+00*HO2+...\n & + RXRAT( 310 ) ! LIMNP1+ACO3=0.7000D+00*NO2+...\n\n PROD( LIMNP2 ) = 5.5000D-02 * RXRAT( 152 ) ! LIM+NO3=0.5500D-01*LIMNP2+...\n LOSS( LIMNP2 ) = RXRAT( 192 ) ! LIMNP2+NO=0.7700D+00*NO2+...\n & + RXRAT( 235 ) ! LIMNP2+HO2=HOM\n & + RXRAT( 274 ) ! LIMNP2+MO2=0.7500D+00*HO2+...\n & + RXRAT( 311 ) ! LIMNP2+ACO3=0.5000D+00*MO2+...\n & + RXRAT( 377 ) ! LIMNP2+APIP1=0.9600D+...\n & + RXRAT( 378 ) ! LIMNP2+LIMP1=0.9600D+...\n & + RXRAT( 379 ) ! LIMNP2+ISOP=0.9600D+00*HOM+...\n\n PROD( ADCN ) = 4.2400D-01 * RXRAT( 161 ) ! PHEN+NO3=0.4240D+00*ADCN+...\n & + 4.0000D-01 * RXRAT( 162 ) ! CSL+NO3=0.4000D+00*ADCN+...\n LOSS( ADCN ) = RXRAT( 211 ) ! ADCN+NO=0.2000D+01*NO2+GLY+OP2\n & + RXRAT( 253 ) ! ADCN+HO2=OP2\n & + RXRAT( 291 ) ! ADCN+MO2=HO2+0.7000D+...\n & + RXRAT( 328 ) ! ADCN+ACO3=HO2+MO2+0.7000D+...\n & + RXRAT( 361 ) ! ADCN+NO3=0.2000D+01*NO2+...\n\n PROD( VROCP4OXY2 ) = 1.2000D-03 * RXRAT( 180 ) ! BENP+NO=0.1200D-...\n & + 1.3000D-03 * RXRAT( 181 ) ! TOLP+NO=0.1300D-...\n & + 2.8000D-01 * RXRAT( 426 ) ! VROCP6ALKP+NO=0.2800D+...\n & + RXRAT( 453 ) ! HC10P2=VROCP4OXY2+HO2\n & + 1.6000D-01 * RXRAT( 475 ) ! VROCP6ARO+HO=0.1600D+...\n & + 5.9500D-02 * RXRAT( 476 ) ! VROCP6AROP+HO2=0.5950D-...\n & + 1.0000D-04 * RXRAT( 477 ) ! VROCP6AROP+NO=0.1000D-...\n & + 5.9400D-02 * RXRAT( 483 ) ! VROCP5AROP+NO=0.5940D-...\n & + 5.9500D-02 * RXRAT( 484 ) ! VROCP5AROP+NO3=0.5950D-...\n & + 5.9500D-02 * RXRAT( 485 ) ! VROCP5AROP+MO2=0.5950D-...\n & + 5.9500D-02 * RXRAT( 486 ) ! VROCP5AROP+ACO3=0.5950D-...\n & + 5.9500D-02 * RXRAT( 489 ) ! NAPHP+NO=0.5950D-...\n & + 5.9500D-02 * RXRAT( 490 ) ! NAPHP+NO3=0.5950D-...\n & + 5.9500D-02 * RXRAT( 491 ) ! NAPHP+MO2=0.5950D-...\n & + 5.9500D-02 * RXRAT( 492 ) ! NAPHP+ACO3=0.5950D-...\n & + 1.8300D-02 * RXRAT( 494 ) ! VROCN2OXY4+HO=0.1830D-...\n & + 4.5500D-02 * RXRAT( 495 ) ! VROCN2OXY2+HO=0.4550D-...\n & + 5.1200D-02 * RXRAT( 497 ) ! VROCN1OXY3+HO=0.5120D-...\n & + 5.0900D-02 * RXRAT( 498 ) ! VROCN1OXY1+HO=0.5090D-...\n & + 2.4600D-02 * RXRAT( 499 ) ! VROCP0OXY4+HO=0.2460D-...\n & + 5.1900D-02 * RXRAT( 500 ) ! VROCP0OXY2+HO=0.5190D-...\n & + 6.4900D-02 * RXRAT( 501 ) ! VROCP1OXY3+HO=0.6490D-...\n & + 6.6800D-02 * RXRAT( 502 ) ! VROCP1OXY1+HO=0.6680D-...\n & + 7.3300D-02 * RXRAT( 503 ) ! VROCP2OXY2+HO=0.7330D-...\n & + 4.2600D-02 * RXRAT( 504 ) ! VROCP3OXY2+HO=0.4260D-...\n & + 7.2400D-02 * RXRAT( 506 ) ! VROCP5OXY1+HO=0.7240D-...\n & + 1.4630D-01 * RXRAT( 507 ) ! VROCP6OXY1+HO=0.1463D+...\n LOSS( VROCP4OXY2 ) = 9.9760D-01 * RXRAT( 505 ) ! VROCP4OXY2+HO=0.2400D-...\n\n PROD( VROCN1OXY6 ) = 8.0000D-04 * RXRAT( 180 ) ! BENP+NO=0.8000D-...\n & + 6.0000D-04 * RXRAT( 181 ) ! TOLP+NO=0.6000D-...\n & + 3.9790D-01 * RXRAT( 223 ) ! BENP+HO2=0.3979D+...\n & + 2.8050D-01 * RXRAT( 224 ) ! TOLP+HO2=0.2805D+...\n & + 1.2100D-02 * RXRAT( 494 ) ! VROCN2OXY4+HO=0.1210D-...\n & + 1.5300D-02 * RXRAT( 495 ) ! VROCN2OXY2+HO=0.1530D-...\n & + 3.1900D-02 * RXRAT( 497 ) ! VROCN1OXY3+HO=0.3190D-...\n & + 1.2200D-02 * RXRAT( 498 ) ! VROCN1OXY1+HO=0.1220D-...\n & + 3.2000D-02 * RXRAT( 499 ) ! VROCP0OXY4+HO=0.3200D-...\n & + 3.2500D-02 * RXRAT( 500 ) ! VROCP0OXY2+HO=0.3250D-...\n & + 7.4000D-02 * RXRAT( 501 ) ! VROCP1OXY3+HO=0.7400D-...\n & + 8.0000D-03 * RXRAT( 502 ) ! VROCP1OXY1+HO=0.8000D-...\n & + 5.1300D-02 * RXRAT( 503 ) ! VROCP2OXY2+HO=0.5130D-...\n & + 5.2600D-02 * RXRAT( 504 ) ! VROCP3OXY2+HO=0.5260D-...\n & + 4.8000D-02 * RXRAT( 505 ) ! VROCP4OXY2+HO=0.4800D-...\n & + 9.0000D-03 * RXRAT( 506 ) ! VROCP5OXY1+HO=0.9000D-...\n & + 6.1000D-03 * RXRAT( 507 ) ! VROCP6OXY1+HO=0.6100D-...\n & + 3.9000D-02 * RXRAT( 508 ) ! OP3+HO=0.3900D-...\n LOSS( VROCN1OXY6 ) = RXRAT( 496 ) ! VROCN1OXY6+HO=HO+0.2036D+...\n\n PROD( FURANONE ) = 4.9900D-01 * RXRAT( 180 ) ! BENP+NO=0.4990D+...\n & + 3.6510D-01 * RXRAT( 181 ) ! TOLP+NO=0.3651D+...\n & + 3.5150D-01 * RXRAT( 182 ) ! XYMP+NO=0.3515D+...\n & + 4.5640D-01 * RXRAT( 183 ) ! XYEP+NO=0.4564D+...\n & + 5.0000D-01 * RXRAT( 262 ) ! BENP+MO2=0.5000D+...\n & + 3.6590D-01 * RXRAT( 263 ) ! TOLP+MO2=0.3659D+...\n & + 3.5220D-01 * RXRAT( 264 ) ! XYMP+MO2=0.3522D+...\n & + 4.5730D-01 * RXRAT( 265 ) ! XYEP+MO2=0.4573D+...\n & + 5.0000D-01 * RXRAT( 299 ) ! BENP+ACO3=0.5000D+...\n & + 3.6590D-01 * RXRAT( 300 ) ! TOLP+ACO3=0.3659D+...\n & + 3.5220D-01 * RXRAT( 301 ) ! XYMP+ACO3=0.3522D+...\n & + 4.5730D-01 * RXRAT( 302 ) ! XYEP+ACO3=0.4573D+...\n & + 5.0000D-01 * RXRAT( 338 ) ! BENP+NO3=0.5000D+...\n & + 3.6590D-01 * RXRAT( 339 ) ! TOLP+NO3=0.3659D+...\n & + 3.5220D-01 * RXRAT( 340 ) ! XYMP+NO3=0.3522D+...\n & + 4.5730D-01 * RXRAT( 341 ) ! XYEP+NO3=0.4573D+...\n & + 9.2000D-01 * RXRAT( 396 ) ! FURANO2+NO=0.9200D+...\n & + 4.0000D-01 * RXRAT( 397 ) ! FURANO2+HO2=0.4000D+...\n & + 4.6930D-01 * RXRAT( 477 ) ! VROCP6AROP+NO=0.4693D+...\n & + 4.7020D-01 * RXRAT( 478 ) ! VROCP6AROP+NO3=0.4702D+...\n & + 4.7020D-01 * RXRAT( 479 ) ! VROCP6AROP+MO2=0.4702D+...\n & + 4.7020D-01 * RXRAT( 480 ) ! VROCP6AROP+ACO3=0.4702D+...\n & + 4.6930D-01 * RXRAT( 483 ) ! VROCP5AROP+NO=0.4693D+...\n & + 4.7020D-01 * RXRAT( 484 ) ! VROCP5AROP+NO3=0.4702D+...\n & + 4.7020D-01 * RXRAT( 485 ) ! VROCP5AROP+MO2=0.4702D+...\n & + 4.7020D-01 * RXRAT( 486 ) ! VROCP5AROP+ACO3=0.4702D+...\n & + 4.6930D-01 * RXRAT( 489 ) ! NAPHP+NO=0.4693D+...\n & + 4.7020D-01 * RXRAT( 490 ) ! NAPHP+NO3=0.4702D+...\n & + 4.7020D-01 * RXRAT( 491 ) ! NAPHP+MO2=0.4702D+...\n & + 4.7020D-01 * RXRAT( 492 ) ! NAPHP+ACO3=0.4702D+...\n LOSS( FURANONE ) = RXRAT( 398 ) ! FURANONE+HO=0.6500D+00*KET+...\n\n PROD( VROCP3OXY2 ) = 1.3000D-03 * RXRAT( 182 ) ! XYMP+NO=0.1300D-...\n & + 1.3000D-03 * RXRAT( 183 ) ! XYEP+NO=0.1300D-...\n & + RXRAT( 404 ) ! SESQNRO2+NO=VROCP3OXY2+...\n & + RXRAT( 405 ) ! SESQNRO2+NO3=VROCP3OXY2+...\n & + 9.8200D-01 * RXRAT( 406 ) ! SESQ+O3=0.9820D+...\n & + RXRAT( 409 ) ! SESQRO2+NO3=VROCP3OXY2\n & + 7.5300D-01 * RXRAT( 410 ) ! SESQRO2+NO=0.7530D+...\n & + 2.8000D-01 * RXRAT( 427 ) ! VROCP5ALKP+NO=0.2800D+...\n & + RXRAT( 440 ) ! VROCP6ALKP+HO2=VROCP3OXY2\n & + RXRAT( 447 ) ! VROCP6ALKP2=VROCP3OXY2+HO2\n & + 8.6000D-01 * RXRAT( 454 ) ! VROCP6ALKP2+NO=0.8600D+...\n & + RXRAT( 461 ) ! VROCP6ALKP2+NO3=VROCP3OXY2+...\n & + 1.6000D-01 * RXRAT( 481 ) ! VROCP5ARO+HO=0.1600D+...\n & + 5.9500D-02 * RXRAT( 482 ) ! VROCP5AROP+HO2=0.5950D-...\n & + 1.0000D-04 * RXRAT( 483 ) ! VROCP5AROP+NO=0.1000D-...\n & + 1.6000D-01 * RXRAT( 487 ) ! NAPH+HO=0.1600D+...\n & + 5.9500D-02 * RXRAT( 488 ) ! NAPHP+HO2=0.5950D-...\n & + 3.9800D-02 * RXRAT( 494 ) ! VROCN2OXY4+HO=0.3980D-...\n & + 4.5200D-02 * RXRAT( 495 ) ! VROCN2OXY2+HO=0.4520D-...\n & + 4.6200D-02 * RXRAT( 497 ) ! VROCN1OXY3+HO=0.4620D-...\n & + 5.1800D-02 * RXRAT( 498 ) ! VROCN1OXY1+HO=0.5180D-...\n & + 5.3500D-02 * RXRAT( 499 ) ! VROCP0OXY4+HO=0.5350D-...\n & + 5.1600D-02 * RXRAT( 500 ) ! VROCP0OXY2+HO=0.5160D-...\n & + 5.8500D-02 * RXRAT( 501 ) ! VROCP1OXY3+HO=0.5850D-...\n & + 7.0900D-02 * RXRAT( 502 ) ! VROCP1OXY1+HO=0.7090D-...\n & + 2.9300D-02 * RXRAT( 503 ) ! VROCP2OXY2+HO=0.2930D-...\n & + 4.5600D-02 * RXRAT( 505 ) ! VROCP4OXY2+HO=0.4560D-...\n & + 1.5660D-01 * RXRAT( 506 ) ! VROCP5OXY1+HO=0.1566D+...\n & + 1.3840D-01 * RXRAT( 507 ) ! VROCP6OXY1+HO=0.1384D+...\n LOSS( VROCP3OXY2 ) = 9.9140D-01 * RXRAT( 504 ) ! VROCP3OXY2+HO=0.8600D-...\n\n PROD( VROCP0OXY4 ) = 6.0000D-04 * RXRAT( 182 ) ! XYMP+NO=0.6000D-...\n & + 6.0000D-04 * RXRAT( 183 ) ! XYEP+NO=0.6000D-...\n & + 2.7710D-01 * RXRAT( 225 ) ! XYMP+HO2=0.2771D+...\n & + 2.8050D-01 * RXRAT( 226 ) ! XYEP+HO2=0.2805D+...\n & + RXRAT( 403 ) ! SESQNRO2+HO2=VROCP0OXY4\n & + 6.2400D-02 * RXRAT( 494 ) ! VROCN2OXY4+HO=0.6240D-...\n & + 1.8900D-02 * RXRAT( 495 ) ! VROCN2OXY2+HO=0.1890D-...\n & + 1.9400D-02 * RXRAT( 497 ) ! VROCN1OXY3+HO=0.1940D-...\n & + 2.9100D-02 * RXRAT( 498 ) ! VROCN1OXY1+HO=0.2910D-...\n & + 3.0700D-02 * RXRAT( 500 ) ! VROCP0OXY2+HO=0.3070D-...\n & + 6.3100D-02 * RXRAT( 501 ) ! VROCP1OXY3+HO=0.6310D-...\n & + 2.9200D-02 * RXRAT( 502 ) ! VROCP1OXY1+HO=0.2920D-...\n & + 1.3370D-01 * RXRAT( 503 ) ! VROCP2OXY2+HO=0.1337D+...\n & + 1.5500D-01 * RXRAT( 504 ) ! VROCP3OXY2+HO=0.1550D+...\n & + 8.8100D-02 * RXRAT( 505 ) ! VROCP4OXY2+HO=0.8810D-...\n & + 7.0200D-02 * RXRAT( 506 ) ! VROCP5OXY1+HO=0.7020D-...\n & + 2.2400D-02 * RXRAT( 507 ) ! VROCP6OXY1+HO=0.2240D-...\n & + 1.1400D-02 * RXRAT( 508 ) ! OP3+HO=0.1140D-...\n LOSS( VROCP0OXY4 ) = 9.9890D-01 * RXRAT( 499 ) ! VROCP0OXY4+HO=0.1100D-...\n\n PROD( BAL1 ) = RXRAT( 204 ) ! BALP+NO=BAL1+NO2\n & + RXRAT( 284 ) ! BALP+MO2=BAL1+HO2+HCHO\n & + RXRAT( 321 ) ! BALP+ACO3=BAL1+MO2\n & + RXRAT( 354 ) ! BALP+NO3=BAL1+NO2\n LOSS( BAL1 ) = RXRAT( 205 ) ! BAL1+NO=BAL2+NO2\n & + RXRAT( 285 ) ! BAL1+MO2=HO2+BAL2+HCHO\n & + RXRAT( 322 ) ! BAL1+ACO3=MO2+BAL2\n & + RXRAT( 355 ) ! BAL1+NO3=BAL2+NO2\n\n PROD( BAL2 ) = RXRAT( 205 ) ! BAL1+NO=BAL2+NO2\n & + RXRAT( 285 ) ! BAL1+MO2=BAL2+HO2+HCHO\n & + RXRAT( 322 ) ! BAL1+ACO3=BAL2+MO2\n & + RXRAT( 355 ) ! BAL1+NO3=BAL2+NO2\n LOSS( BAL2 ) = RXRAT( 213 ) ! BAL2+NO2=ONIT\n\n PROD( ELHOM ) = 4.0000D-02 * RXRAT( 368 ) ! APIP2+APIP1=0.4000D-...\n & + 4.0000D-02 * RXRAT( 369 ) ! APIP2+LIMP1=0.4000D-...\n & + 4.0000D-02 * RXRAT( 370 ) ! APIP2+ISOP=0.4000D-...\n & + 4.0000D-02 * RXRAT( 371 ) ! LIMP2+APIP1=0.4000D-...\n & + 4.0000D-02 * RXRAT( 372 ) ! LIMP2+LIMP1=0.4000D-...\n & + 4.0000D-02 * RXRAT( 373 ) ! LIMP2+ISOP=0.4000D-...\n & + 4.0000D-02 * RXRAT( 374 ) ! APINP2+APIP1=0.4000D-...\n & + 4.0000D-02 * RXRAT( 375 ) ! APINP2+LIMP1=0.4000D-...\n & + 4.0000D-02 * RXRAT( 376 ) ! APINP2+ISOP=0.4000D-...\n & + 4.0000D-02 * RXRAT( 377 ) ! LIMNP2+APIP1=0.4000D-...\n & + 4.0000D-02 * RXRAT( 378 ) ! LIMNP2+LIMP1=0.4000D-...\n & + 4.0000D-02 * RXRAT( 379 ) ! LIMNP2+ISOP=0.4000D-...\n LOSS( ELHOM ) = 0.0D0\n\n PROD( VROCIOXY ) = 0.0D0\n LOSS( VROCIOXY ) = RXRAT( 381 ) ! VROCIOXY+HO=0.8520D+...\n\n PROD( SLOWROC ) = 0.0D0\n LOSS( SLOWROC ) = RXRAT( 382 ) ! SLOWROC+HO=ETHP+0.1010D-...\n\n PROD( ACRO ) = 8.9500D-01 * RXRAT( 388 ) ! BDE13P+NO=0.8950D+00*ACRO+...\n & + 9.2500D-01 * RXRAT( 389 ) ! BDE13P+NO3=0.9250D+00*ACRO+...\n & + 4.6300D-01 * RXRAT( 391 ) ! BDE13P+MO2=0.4630D+00*ACRO+...\n & + 7.4000D-01 * RXRAT( 392 ) ! BDE13P+ACO3=0.7400D+...\n & + 6.2000D-01 * RXRAT( 393 ) ! BDE13+O3=0.6200D+00*ACRO+...\n & + 9.0000D-01 * RXRAT( 394 ) ! BDE13+NO3=0.9000D+00*ACRO+...\n LOSS( ACRO ) = RXRAT( 383 ) ! ACRO+HO=0.5700D+00*MACP+...\n & + RXRAT( 384 ) ! ACRO+O3=0.8400D+00*CO+...\n & + RXRAT( 385 ) ! ACRO+NO3=0.6800D+00*HCHO+...\n & + RXRAT( 386 ) ! ACRO=CO+0.4770D+00*HO2+...\n\n PROD( BDE13 ) = 0.0D0\n LOSS( BDE13 ) = RXRAT( 387 ) ! BDE13+HO=0.6670D+00*BDE13P+...\n & + RXRAT( 393 ) ! BDE13+O3=0.6200D+00*ACRO+...\n & + RXRAT( 394 ) ! BDE13+NO3=0.9000D+00*OLNN+...\n\n PROD( BDE13P ) = 6.6700D-01 * RXRAT( 387 ) ! BDE13+HO=0.6670D+00*BDE13P+...\n LOSS( BDE13P ) = RXRAT( 388 ) ! BDE13P+NO=0.9680D+00*HO2+...\n & + RXRAT( 389 ) ! BDE13P+NO3=HO2+NO2+0.9250D+...\n & + RXRAT( 390 ) ! BDE13P+HO2=OP2\n & + RXRAT( 391 ) ! BDE13P+MO2=0.3200D+00*MOH+...\n & + RXRAT( 392 ) ! BDE13P+ACO3=0.7000D+00*MO2+...\n\n PROD( FURAN ) = 7.2000D-02 * RXRAT( 388 ) ! BDE13P+NO=0.7200D-01*FURAN+...\n & + 7.5000D-02 * RXRAT( 389 ) ! BDE13P+NO3=0.7500D-...\n & + 3.7000D-02 * RXRAT( 391 ) ! BDE13P+MO2=0.3700D-...\n & + 6.0000D-02 * RXRAT( 392 ) ! BDE13P+ACO3=0.6000D-...\n LOSS( FURAN ) = RXRAT( 395 ) ! FURAN+HO=0.4900D+00*DCB1+...\n & + RXRAT( 399 ) ! FURAN+O3=0.2000D-01*HO+ALD\n & + RXRAT( 400 ) ! FURAN+NO3=NO2+0.8000D+...\n\n PROD( FURANO2 ) = 5.1000D-01 * RXRAT( 395 ) ! FURAN+HO=0.5100D+...\n LOSS( FURANO2 ) = RXRAT( 396 ) ! FURANO2+NO=0.8000D-01*ONIT+...\n & + RXRAT( 397 ) ! FURANO2+HO2=0.6000D+00*OP2+...\n\n PROD( PROG ) = 0.0D0\n LOSS( PROG ) = RXRAT( 401 ) ! PROG+HO=0.6130D+00*HKET+...\n\n PROD( SESQ ) = 0.0D0\n LOSS( SESQ ) = RXRAT( 402 ) ! SESQ+NO3=SESQNRO2\n & + RXRAT( 406 ) ! SESQ+O3=0.9820D+...\n & + RXRAT( 407 ) ! SESQ+HO=SESQRO2\n\n PROD( SESQNRO2 ) = RXRAT( 402 ) ! SESQ+NO3=SESQNRO2\n LOSS( SESQNRO2 ) = RXRAT( 403 ) ! SESQNRO2+HO2=VROCP0OXY4\n & + RXRAT( 404 ) ! SESQNRO2+NO=VROCP3OXY2+...\n & + RXRAT( 405 ) ! SESQNRO2+NO3=VROCP3OXY2+...\n\n PROD( VROCN2OXY2 ) = 1.8000D-02 * RXRAT( 406 ) ! SESQ+O3=0.1800D-...\n & + RXRAT( 445 ) ! VROCP1ALKP+HO2=VROCN2OXY2\n & + RXRAT( 452 ) ! VROCP1ALKP2=VROCN2OXY2+HO2\n & + 1.4000D-01 * RXRAT( 458 ) ! VROCP2ALKP2+NO=0.1400D+...\n & + RXRAT( 459 ) ! VROCP1ALKP2+NO=VROCN2OXY2+...\n & + RXRAT( 466 ) ! VROCP1ALKP2+NO3=VROCN2OXY2+...\n & + RXRAT( 471 ) ! VROCP3ALKP2+HO2=VROCN2OXY2\n & + RXRAT( 472 ) ! VROCP2ALKP2+HO2=VROCN2OXY2\n & + RXRAT( 473 ) ! VROCP1ALKP2+HO2=VROCN2OXY2\n & + 8.8000D-03 * RXRAT( 497 ) ! VROCN1OXY3+HO=0.8800D-...\n & + 7.2610D-01 * RXRAT( 498 ) ! VROCN1OXY1+HO=0.7261D+...\n & + 1.1560D-01 * RXRAT( 500 ) ! VROCP0OXY2+HO=0.1156D+...\n & + 4.0000D-04 * RXRAT( 501 ) ! VROCP1OXY3+HO=0.4000D-...\n & + 3.3490D-01 * RXRAT( 502 ) ! VROCP1OXY1+HO=0.3349D+...\n & + 1.0400D-02 * RXRAT( 503 ) ! VROCP2OXY2+HO=0.1040D-...\n & + 9.0000D-04 * RXRAT( 504 ) ! VROCP3OXY2+HO=0.9000D-...\n & + 6.0000D-04 * RXRAT( 506 ) ! VROCP5OXY1+HO=0.6000D-...\n LOSS( VROCN2OXY2 ) = 7.8590D-01 * RXRAT( 495 ) ! VROCN2OXY2+HO=0.2141D+...\n\n PROD( SESQRO2 ) = RXRAT( 407 ) ! SESQ+HO=SESQRO2\n LOSS( SESQRO2 ) = RXRAT( 408 ) ! SESQRO2+HO2=VROCP0OXY2\n & + RXRAT( 409 ) ! SESQRO2+NO3=VROCP3OXY2\n & + RXRAT( 410 ) ! SESQRO2+NO=0.2470D+...\n\n PROD( VROCP0OXY2 ) = RXRAT( 408 ) ! SESQRO2+HO2=VROCP0OXY2\n & + 2.8000D-01 * RXRAT( 430 ) ! VROCP2ALKP+NO=0.2800D+...\n & + RXRAT( 443 ) ! VROCP3ALKP+HO2=VROCP0OXY2\n & + RXRAT( 450 ) ! VROCP3ALKP2=VROCP0OXY2+HO2\n & + 1.4000D-01 * RXRAT( 456 ) ! VROCP4ALKP2+NO=0.1400D+...\n & + 8.6000D-01 * RXRAT( 457 ) ! VROCP3ALKP2+NO=0.8600D+...\n & + RXRAT( 464 ) ! VROCP3ALKP2+NO3=VROCP0OXY2+...\n & + RXRAT( 469 ) ! VROCP5ALKP2+HO2=VROCP0OXY2\n & + 9.0480D-01 * RXRAT( 482 ) ! VROCP5AROP+HO2=0.9048D+...\n & + 4.5600D-02 * RXRAT( 495 ) ! VROCN2OXY2+HO=0.4560D-...\n & + 1.0400D-02 * RXRAT( 497 ) ! VROCN1OXY3+HO=0.1040D-...\n & + 4.5400D-02 * RXRAT( 498 ) ! VROCN1OXY1+HO=0.4540D-...\n & + 7.0000D-04 * RXRAT( 501 ) ! VROCP1OXY3+HO=0.7000D-...\n & + 7.6600D-02 * RXRAT( 502 ) ! VROCP1OXY1+HO=0.7660D-...\n & + 4.0300D-02 * RXRAT( 503 ) ! VROCP2OXY2+HO=0.4030D-...\n & + 1.5500D-02 * RXRAT( 504 ) ! VROCP3OXY2+HO=0.1550D-...\n & + 1.5300D-02 * RXRAT( 506 ) ! VROCP5OXY1+HO=0.1530D-...\n LOSS( VROCP0OXY2 ) = 9.9760D-01 * RXRAT( 500 ) ! VROCP0OXY2+HO=0.2400D-...\n\n PROD( VROCP1OXY3 ) = 2.4700D-01 * RXRAT( 410 ) ! SESQRO2+NO=0.2470D+...\n & + 1.4000D-01 * RXRAT( 455 ) ! VROCP5ALKP2+NO=0.1400D+...\n & + RXRAT( 468 ) ! VROCP6ALKP2+HO2=VROCP1OXY3\n & + 9.0480D-01 * RXRAT( 476 ) ! VROCP6AROP+HO2=0.9048D+...\n & + 1.8000D-03 * RXRAT( 483 ) ! VROCP5AROP+NO=0.1800D-...\n & + 9.0480D-01 * RXRAT( 488 ) ! NAPHP+HO2=0.9048D+...\n & + 3.8800D-02 * RXRAT( 494 ) ! VROCN2OXY4+HO=0.3880D-...\n & + 3.1400D-02 * RXRAT( 495 ) ! VROCN2OXY2+HO=0.3140D-...\n & + 5.1000D-02 * RXRAT( 497 ) ! VROCN1OXY3+HO=0.5100D-...\n & + 2.3400D-02 * RXRAT( 498 ) ! VROCN1OXY1+HO=0.2340D-...\n & + 3.9500D-02 * RXRAT( 500 ) ! VROCP0OXY2+HO=0.3950D-...\n & + 2.7700D-02 * RXRAT( 502 ) ! VROCP1OXY1+HO=0.2770D-...\n & + 5.1100D-02 * RXRAT( 503 ) ! VROCP2OXY2+HO=0.5110D-...\n & + 1.0510D-01 * RXRAT( 504 ) ! VROCP3OXY2+HO=0.1051D+...\n & + 9.1600D-02 * RXRAT( 505 ) ! VROCP4OXY2+HO=0.9160D-...\n & + 1.0380D-01 * RXRAT( 506 ) ! VROCP5OXY1+HO=0.1038D+...\n & + 5.0300D-02 * RXRAT( 507 ) ! VROCP6OXY1+HO=0.5030D-...\n LOSS( VROCP1OXY3 ) = 9.9940D-01 * RXRAT( 501 ) ! VROCP1OXY3+HO=0.6000D-...\n\n PROD( AGLYJ ) = RXRAT( 411 ) ! GLY=AGLYJ\n & + RXRAT( 412 ) ! MGLY=AGLYJ\n LOSS( AGLYJ ) = 0.0D0\n\n PROD( IEPOXP ) = RXRAT( 416 ) ! IEPOX=IEPOXP\n LOSS( IEPOXP ) = RXRAT( 417 ) ! IEPOXP=AISO3NOSJ\n & + RXRAT( 418 ) ! IEPOXP+ASO4J=AISO3OSJ\n\n PROD( AISO3NOSJ ) = RXRAT( 417 ) ! IEPOXP=AISO3NOSJ\n LOSS( AISO3NOSJ ) = 0.0D0\n\n PROD( ASO4J ) = 0.0D0\n LOSS( ASO4J ) = RXRAT( 418 ) ! ASO4J+IEPOXP=AISO3OSJ\n\n PROD( AISO3OSJ ) = RXRAT( 418 ) ! IEPOXP+ASO4J=AISO3OSJ\n LOSS( AISO3OSJ ) = 0.0D0\n\n PROD( VROCP6ALK ) = 0.0D0\n LOSS( VROCP6ALK ) = RXRAT( 419 ) ! VROCP6ALK+HO=VROCP6ALKP\n\n PROD( VROCP6ALKP ) = RXRAT( 419 ) ! VROCP6ALK+HO=VROCP6ALKP\n LOSS( VROCP6ALKP ) = RXRAT( 426 ) ! VROCP6ALKP+NO=0.7200D+...\n & + RXRAT( 433 ) ! VROCP6ALKP+NO3=VROCP6ALKP2+NO2\n & + RXRAT( 440 ) ! VROCP6ALKP+HO2=VROCP3OXY2\n\n PROD( VROCP5ALK ) = 0.0D0\n LOSS( VROCP5ALK ) = RXRAT( 420 ) ! VROCP5ALK+HO=VROCP5ALKP\n\n PROD( VROCP5ALKP ) = RXRAT( 420 ) ! VROCP5ALK+HO=VROCP5ALKP\n LOSS( VROCP5ALKP ) = RXRAT( 427 ) ! VROCP5ALKP+NO=0.7200D+...\n & + RXRAT( 434 ) ! VROCP5ALKP+NO3=VROCP5ALKP2+NO2\n & + RXRAT( 441 ) ! VROCP5ALKP+HO2=VROCP2OXY2\n\n PROD( VROCP4ALK ) = 0.0D0\n LOSS( VROCP4ALK ) = RXRAT( 421 ) ! VROCP4ALK+HO=VROCP4ALKP\n\n PROD( VROCP4ALKP ) = RXRAT( 421 ) ! VROCP4ALK+HO=VROCP4ALKP\n LOSS( VROCP4ALKP ) = RXRAT( 428 ) ! VROCP4ALKP+NO=0.7200D+...\n & + RXRAT( 435 ) ! VROCP4ALKP+NO3=VROCP4ALKP2+NO2\n & + RXRAT( 442 ) ! VROCP4ALKP+HO2=VROCP1OXY1\n\n PROD( VROCP3ALK ) = 0.0D0\n LOSS( VROCP3ALK ) = RXRAT( 422 ) ! VROCP3ALK+HO=VROCP3ALKP\n\n PROD( VROCP3ALKP ) = RXRAT( 422 ) ! VROCP3ALK+HO=VROCP3ALKP\n LOSS( VROCP3ALKP ) = RXRAT( 429 ) ! VROCP3ALKP+NO=0.7200D+...\n & + RXRAT( 436 ) ! VROCP3ALKP+NO3=VROCP3ALKP2+NO2\n & + RXRAT( 443 ) ! VROCP3ALKP+HO2=VROCP0OXY2\n\n PROD( VROCP2ALK ) = 0.0D0\n LOSS( VROCP2ALK ) = RXRAT( 423 ) ! VROCP2ALK+HO=VROCP2ALKP\n\n PROD( VROCP2ALKP ) = RXRAT( 423 ) ! VROCP2ALK+HO=VROCP2ALKP\n LOSS( VROCP2ALKP ) = RXRAT( 430 ) ! VROCP2ALKP+NO=0.7200D+...\n & + RXRAT( 437 ) ! VROCP2ALKP+NO3=VROCP2ALKP2+NO2\n & + RXRAT( 444 ) ! VROCP2ALKP+HO2=VROCN1OXY1\n\n PROD( VROCP1ALK ) = 0.0D0\n LOSS( VROCP1ALK ) = RXRAT( 424 ) ! VROCP1ALK+HO=VROCP1ALKP\n\n PROD( VROCP1ALKP ) = RXRAT( 424 ) ! VROCP1ALK+HO=VROCP1ALKP\n LOSS( VROCP1ALKP ) = RXRAT( 431 ) ! VROCP1ALKP+NO=0.7200D+...\n & + RXRAT( 438 ) ! VROCP1ALKP+NO3=VROCP1ALKP2+NO2\n & + RXRAT( 445 ) ! VROCP1ALKP+HO2=VROCN2OXY2\n\n PROD( HC10 ) = 0.0D0\n LOSS( HC10 ) = RXRAT( 425 ) ! HC10+HO=HC10P\n\n PROD( VROCP6ALKP2 ) = 7.2000D-01 * RXRAT( 426 ) ! VROCP6ALKP+NO=0.7200D+...\n & + RXRAT( 433 ) ! VROCP6ALKP+NO3=VROCP6ALKP2+NO2\n LOSS( VROCP6ALKP2 ) = RXRAT( 447 ) ! VROCP6ALKP2=HO2+VROCP3OXY2\n & + RXRAT( 454 ) ! VROCP6ALKP2+NO=0.1400D+...\n & + RXRAT( 461 ) ! VROCP6ALKP2+NO3=NO2+...\n & + RXRAT( 468 ) ! VROCP6ALKP2+HO2=VROCP1OXY3\n\n PROD( VROCP5ALKP2 ) = 7.2000D-01 * RXRAT( 427 ) ! VROCP5ALKP+NO=0.7200D+...\n & + RXRAT( 434 ) ! VROCP5ALKP+NO3=VROCP5ALKP2+NO2\n LOSS( VROCP5ALKP2 ) = RXRAT( 448 ) ! VROCP5ALKP2=HO2+VROCP2OXY2\n & + RXRAT( 455 ) ! VROCP5ALKP2+NO=0.1400D+...\n & + RXRAT( 462 ) ! VROCP5ALKP2+NO3=NO2+...\n & + RXRAT( 469 ) ! VROCP5ALKP2+HO2=VROCP0OXY2\n\n PROD( VROCP4ALKP2 ) = 7.2000D-01 * RXRAT( 428 ) ! VROCP4ALKP+NO=0.7200D+...\n & + RXRAT( 435 ) ! VROCP4ALKP+NO3=VROCP4ALKP2+NO2\n LOSS( VROCP4ALKP2 ) = RXRAT( 449 ) ! VROCP4ALKP2=HO2+VROCP1OXY1\n & + RXRAT( 456 ) ! VROCP4ALKP2+NO=0.1400D+...\n & + RXRAT( 463 ) ! VROCP4ALKP2+NO3=NO2+...\n & + RXRAT( 470 ) ! VROCP4ALKP2+HO2=VROCN1OXY1\n\n PROD( VROCP2OXY2 ) = 2.8000D-01 * RXRAT( 428 ) ! VROCP4ALKP+NO=0.2800D+...\n & + RXRAT( 441 ) ! VROCP5ALKP+HO2=VROCP2OXY2\n & + RXRAT( 448 ) ! VROCP5ALKP2=VROCP2OXY2+HO2\n & + 1.4000D-01 * RXRAT( 454 ) ! VROCP6ALKP2+NO=0.1400D+...\n & + 8.6000D-01 * RXRAT( 455 ) ! VROCP5ALKP2+NO=0.8600D+...\n & + RXRAT( 462 ) ! VROCP5ALKP2+NO3=VROCP2OXY2+...\n & + RXRAT( 474 ) ! HC10P2+HO2=VROCP2OXY2\n & + 1.8000D-03 * RXRAT( 477 ) ! VROCP6AROP+NO=0.1800D-...\n & + 1.8000D-03 * RXRAT( 489 ) ! NAPHP+NO=0.1800D-...\n & + 4.9100D-02 * RXRAT( 494 ) ! VROCN2OXY4+HO=0.4910D-...\n & + 4.5900D-02 * RXRAT( 495 ) ! VROCN2OXY2+HO=0.4590D-...\n & + 5.1200D-02 * RXRAT( 497 ) ! VROCN1OXY3+HO=0.5120D-...\n & + 6.2400D-02 * RXRAT( 498 ) ! VROCN1OXY1+HO=0.6240D-...\n & + 6.6000D-02 * RXRAT( 499 ) ! VROCP0OXY4+HO=0.6600D-...\n & + 5.3900D-02 * RXRAT( 500 ) ! VROCP0OXY2+HO=0.5390D-...\n & + 2.2700D-02 * RXRAT( 501 ) ! VROCP1OXY3+HO=0.2270D-...\n & + 6.5100D-02 * RXRAT( 502 ) ! VROCP1OXY1+HO=0.6510D-...\n & + 5.3500D-02 * RXRAT( 504 ) ! VROCP3OXY2+HO=0.5350D-...\n & + 9.7200D-02 * RXRAT( 505 ) ! VROCP4OXY2+HO=0.9720D-...\n & + 1.6500D-01 * RXRAT( 506 ) ! VROCP5OXY1+HO=0.1650D+...\n & + 8.7900D-02 * RXRAT( 507 ) ! VROCP6OXY1+HO=0.8790D-...\n LOSS( VROCP2OXY2 ) = 9.7640D-01 * RXRAT( 503 ) ! VROCP2OXY2+HO=0.2360D-...\n\n PROD( VROCP3ALKP2 ) = 7.2000D-01 * RXRAT( 429 ) ! VROCP3ALKP+NO=0.7200D+...\n & + RXRAT( 436 ) ! VROCP3ALKP+NO3=VROCP3ALKP2+NO2\n LOSS( VROCP3ALKP2 ) = RXRAT( 450 ) ! VROCP3ALKP2=HO2+VROCP0OXY2\n & + RXRAT( 457 ) ! VROCP3ALKP2+NO=0.1400D+...\n & + RXRAT( 464 ) ! VROCP3ALKP2+NO3=NO2+...\n & + RXRAT( 471 ) ! VROCP3ALKP2+HO2=VROCN2OXY2\n\n PROD( VROCP1OXY1 ) = 2.8000D-01 * RXRAT( 429 ) ! VROCP3ALKP+NO=0.2800D+...\n & + RXRAT( 442 ) ! VROCP4ALKP+HO2=VROCP1OXY1\n & + RXRAT( 449 ) ! VROCP4ALKP2=VROCP1OXY1+HO2\n & + 8.6000D-01 * RXRAT( 456 ) ! VROCP4ALKP2+NO=0.8600D+...\n & + RXRAT( 463 ) ! VROCP4ALKP2+NO3=VROCP1OXY1+...\n & + 1.9900D-02 * RXRAT( 495 ) ! VROCN2OXY2+HO=0.1990D-...\n & + 7.5000D-03 * RXRAT( 497 ) ! VROCN1OXY3+HO=0.7500D-...\n & + 3.5200D-02 * RXRAT( 498 ) ! VROCN1OXY1+HO=0.3520D-...\n & + 2.1500D-02 * RXRAT( 500 ) ! VROCP0OXY2+HO=0.2150D-...\n & + 6.8000D-03 * RXRAT( 503 ) ! VROCP2OXY2+HO=0.6800D-...\n & + 1.3000D-03 * RXRAT( 504 ) ! VROCP3OXY2+HO=0.1300D-...\n & + 7.3000D-03 * RXRAT( 505 ) ! VROCP4OXY2+HO=0.7300D-...\n & + 3.1000D-03 * RXRAT( 506 ) ! VROCP5OXY1+HO=0.3100D-...\n & + 2.2000D-03 * RXRAT( 507 ) ! VROCP6OXY1+HO=0.2200D-...\n LOSS( VROCP1OXY1 ) = 9.8820D-01 * RXRAT( 502 ) ! VROCP1OXY1+HO=0.1180D-...\n\n PROD( VROCP2ALKP2 ) = 7.2000D-01 * RXRAT( 430 ) ! VROCP2ALKP+NO=0.7200D+...\n & + RXRAT( 437 ) ! VROCP2ALKP+NO3=VROCP2ALKP2+NO2\n LOSS( VROCP2ALKP2 ) = RXRAT( 451 ) ! VROCP2ALKP2=HO2+VROCN1OXY1\n & + RXRAT( 458 ) ! VROCP2ALKP2+NO=0.1400D+...\n & + RXRAT( 465 ) ! VROCP2ALKP2+NO3=NO2+...\n & + RXRAT( 472 ) ! VROCP2ALKP2+HO2=VROCN2OXY2\n\n PROD( VROCP1ALKP2 ) = 7.2000D-01 * RXRAT( 431 ) ! VROCP1ALKP+NO=0.7200D+...\n & + RXRAT( 438 ) ! VROCP1ALKP+NO3=VROCP1ALKP2+NO2\n LOSS( VROCP1ALKP2 ) = RXRAT( 452 ) ! VROCP1ALKP2=HO2+VROCN2OXY2\n & + RXRAT( 459 ) ! VROCP1ALKP2+NO=VROCN2OXY2+...\n & + RXRAT( 466 ) ! VROCP1ALKP2+NO3=NO2+...\n & + RXRAT( 473 ) ! VROCP1ALKP2+HO2=VROCN2OXY2\n\n PROD( VROCN1OXY1 ) = 2.8000D-01 * RXRAT( 431 ) ! VROCP1ALKP+NO=0.2800D+...\n & + RXRAT( 444 ) ! VROCP2ALKP+HO2=VROCN1OXY1\n & + RXRAT( 451 ) ! VROCP2ALKP2=VROCN1OXY1+HO2\n & + 1.4000D-01 * RXRAT( 457 ) ! VROCP3ALKP2+NO=0.1400D+...\n & + 8.6000D-01 * RXRAT( 458 ) ! VROCP2ALKP2+NO=0.8600D+...\n & + RXRAT( 465 ) ! VROCP2ALKP2+NO3=VROCN1OXY1+...\n & + RXRAT( 470 ) ! VROCP4ALKP2+HO2=VROCN1OXY1\n & + 9.6000D-03 * RXRAT( 495 ) ! VROCN2OXY2+HO=0.9600D-...\n & + 4.6000D-03 * RXRAT( 500 ) ! VROCP0OXY2+HO=0.4600D-...\n & + 7.5800D-02 * RXRAT( 502 ) ! VROCP1OXY1+HO=0.7580D-...\n & + 1.3000D-03 * RXRAT( 503 ) ! VROCP2OXY2+HO=0.1300D-...\n LOSS( VROCN1OXY1 ) = 9.9300D-01 * RXRAT( 498 ) ! VROCN1OXY1+HO=0.7000D-...\n\n PROD( HC10P2 ) = 7.4000D-01 * RXRAT( 432 ) ! HC10P+NO=0.7400D+00*HC10P2+...\n & + RXRAT( 439 ) ! HC10P+NO3=HC10P2+NO2\n LOSS( HC10P2 ) = RXRAT( 453 ) ! HC10P2=HO2+VROCP4OXY2\n & + RXRAT( 460 ) ! HC10P2+NO=0.1200D+00*ONIT+...\n & + RXRAT( 467 ) ! HC10P2+NO3=NO2+KET+HO2\n & + RXRAT( 474 ) ! HC10P2+HO2=VROCP2OXY2\n\n PROD( VROCP6ARO ) = 0.0D0\n LOSS( VROCP6ARO ) = RXRAT( 475 ) ! VROCP6ARO+HO=0.8400D+...\n\n PROD( VROCP6AROP ) = 8.4000D-01 * RXRAT( 475 ) ! VROCP6ARO+HO=0.8400D+...\n LOSS( VROCP6AROP ) = RXRAT( 476 ) ! VROCP6AROP+HO2=0.5950D-...\n & + RXRAT( 477 ) ! VROCP6AROP+NO=0.1000D-...\n & + RXRAT( 478 ) ! VROCP6AROP+NO3=NO2+0.9405D+...\n & + RXRAT( 479 ) ! VROCP6AROP+MO2=0.6800D+...\n & + RXRAT( 480 ) ! VROCP6AROP+ACO3=0.7000D+...\n\n PROD( VROCN2OXY4 ) = 3.5700D-02 * RXRAT( 476 ) ! VROCP6AROP+HO2=0.3570D-...\n & + 3.5700D-02 * RXRAT( 482 ) ! VROCP5AROP+HO2=0.3570D-...\n & + 1.0000D-04 * RXRAT( 483 ) ! VROCP5AROP+NO=0.1000D-...\n & + 5.6380D-01 * RXRAT( 495 ) ! VROCN2OXY2+HO=0.5638D+...\n & + 7.1000D-03 * RXRAT( 496 ) ! VROCN1OXY6+HO=0.7100D-...\n & + 4.0250D-01 * RXRAT( 497 ) ! VROCN1OXY3+HO=0.4025D+...\n & + 1.1900D-01 * RXRAT( 498 ) ! VROCN1OXY1+HO=0.1190D+...\n & + 1.1650D-01 * RXRAT( 499 ) ! VROCP0OXY4+HO=0.1165D+...\n & + 4.5790D-01 * RXRAT( 500 ) ! VROCP0OXY2+HO=0.4579D+...\n & + 1.9240D-01 * RXRAT( 501 ) ! VROCP1OXY3+HO=0.1924D+...\n & + 1.3400D-01 * RXRAT( 502 ) ! VROCP1OXY1+HO=0.1340D+...\n & + 1.7260D-01 * RXRAT( 503 ) ! VROCP2OXY2+HO=0.1726D+...\n & + 7.6500D-02 * RXRAT( 504 ) ! VROCP3OXY2+HO=0.7650D-...\n & + 1.6700D-02 * RXRAT( 505 ) ! VROCP4OXY2+HO=0.1670D-...\n & + 1.0300D-02 * RXRAT( 506 ) ! VROCP5OXY1+HO=0.1030D-...\n & + 8.0000D-04 * RXRAT( 508 ) ! OP3+HO=0.8000D-...\n LOSS( VROCN2OXY4 ) = 8.0230D-01 * RXRAT( 494 ) ! VROCN2OXY4+HO=0.1977D+...\n\n PROD( VROCN1OXY3 ) = 1.0000D-04 * RXRAT( 477 ) ! VROCP6AROP+NO=0.1000D-...\n & + 1.5200D-02 * RXRAT( 494 ) ! VROCN2OXY4+HO=0.1520D-...\n & + 2.9800D-02 * RXRAT( 495 ) ! VROCN2OXY2+HO=0.2980D-...\n & + 3.0500D-02 * RXRAT( 498 ) ! VROCN1OXY1+HO=0.3050D-...\n & + 1.8300D-02 * RXRAT( 499 ) ! VROCP0OXY4+HO=0.1830D-...\n & + 6.5700D-02 * RXRAT( 500 ) ! VROCP0OXY2+HO=0.6570D-...\n & + 4.5200D-02 * RXRAT( 501 ) ! VROCP1OXY3+HO=0.4520D-...\n & + 1.1930D-01 * RXRAT( 502 ) ! VROCP1OXY1+HO=0.1193D+...\n & + 1.1180D-01 * RXRAT( 503 ) ! VROCP2OXY2+HO=0.1118D+...\n & + 4.8900D-02 * RXRAT( 504 ) ! VROCP3OXY2+HO=0.4890D-...\n & + 2.4600D-02 * RXRAT( 505 ) ! VROCP4OXY2+HO=0.2460D-...\n & + 1.4600D-02 * RXRAT( 506 ) ! VROCP5OXY1+HO=0.1460D-...\n & + 4.9000D-03 * RXRAT( 507 ) ! VROCP6OXY1+HO=0.4900D-...\n LOSS( VROCN1OXY3 ) = 9.9240D-01 * RXRAT( 497 ) ! VROCN1OXY3+HO=0.7600D-...\n\n PROD( VROCP5ARO ) = 0.0D0\n LOSS( VROCP5ARO ) = RXRAT( 481 ) ! VROCP5ARO+HO=0.8400D+...\n\n PROD( VROCP5AROP ) = 8.4000D-01 * RXRAT( 481 ) ! VROCP5ARO+HO=0.8400D+...\n LOSS( VROCP5AROP ) = RXRAT( 482 ) ! VROCP5AROP+HO2=0.5950D-...\n & + RXRAT( 483 ) ! VROCP5AROP+NO=0.1000D-...\n & + RXRAT( 484 ) ! VROCP5AROP+NO3=NO2+0.9405D+...\n & + RXRAT( 485 ) ! VROCP5AROP+MO2=0.6800D+...\n & + RXRAT( 486 ) ! VROCP5AROP+ACO3=0.7000D+...\n\n PROD( NAPH ) = 0.0D0\n LOSS( NAPH ) = RXRAT( 487 ) ! NAPH+HO=0.8400D+00*NAPHP+...\n\n PROD( NAPHP ) = 8.4000D-01 * RXRAT( 487 ) ! NAPH+HO=0.8400D+00*NAPHP+...\n LOSS( NAPHP ) = RXRAT( 488 ) ! NAPHP+HO2=0.5950D-...\n & + RXRAT( 489 ) ! NAPHP+NO=0.5950D-...\n & + RXRAT( 490 ) ! NAPHP+NO3=NO2+0.9405D+...\n & + RXRAT( 491 ) ! NAPHP+MO2=0.6800D+00*HCHO+...\n & + RXRAT( 492 ) ! NAPHP+ACO3=0.7000D+00*MO2+...\n\n PROD( VROCN2OXY8 ) = 3.5700D-02 * RXRAT( 488 ) ! NAPHP+HO2=0.3570D-...\n & + 1.0000D-04 * RXRAT( 489 ) ! NAPHP+NO=0.1000D-...\n & + 4.6400D-01 * RXRAT( 494 ) ! VROCN2OXY4+HO=0.4640D+...\n & + 1.0410D-01 * RXRAT( 495 ) ! VROCN2OXY2+HO=0.1041D+...\n & + 2.0360D-01 * RXRAT( 496 ) ! VROCN1OXY6+HO=0.2036D+...\n & + 2.7920D-01 * RXRAT( 497 ) ! VROCN1OXY3+HO=0.2792D+...\n & + 7.4000D-03 * RXRAT( 498 ) ! VROCN1OXY1+HO=0.7400D-...\n & + 2.8220D-01 * RXRAT( 499 ) ! VROCP0OXY4+HO=0.2822D+...\n & + 6.5900D-02 * RXRAT( 500 ) ! VROCP0OXY2+HO=0.6590D-...\n & + 1.7780D-01 * RXRAT( 501 ) ! VROCP1OXY3+HO=0.1778D+...\n & + 2.3000D-03 * RXRAT( 502 ) ! VROCP1OXY1+HO=0.2300D-...\n & + 4.4500D-02 * RXRAT( 503 ) ! VROCP2OXY2+HO=0.4450D-...\n & + 3.1700D-02 * RXRAT( 504 ) ! VROCP3OXY2+HO=0.3170D-...\n & + 1.1700D-02 * RXRAT( 505 ) ! VROCP4OXY2+HO=0.1170D-...\n & + 1.1880D-01 * RXRAT( 508 ) ! OP3+HO=0.1188D+...\n LOSS( VROCN2OXY8 ) = 9.1460D-01 * RXRAT( 493 ) ! VROCN2OXY8+HO=0.8540D-...\n\n PROD( VROCP5OXY1 ) = 3.2500D-02 * RXRAT( 495 ) ! VROCN2OXY2+HO=0.3250D-...\n & + 1.3800D-02 * RXRAT( 497 ) ! VROCN1OXY3+HO=0.1380D-...\n & + 3.4700D-02 * RXRAT( 498 ) ! VROCN1OXY1+HO=0.3470D-...\n & + 3.7100D-02 * RXRAT( 500 ) ! VROCP0OXY2+HO=0.3710D-...\n & + 1.7400D-02 * RXRAT( 501 ) ! VROCP1OXY3+HO=0.1740D-...\n & + 4.2300D-02 * RXRAT( 502 ) ! VROCP1OXY1+HO=0.4230D-...\n & + 5.2300D-02 * RXRAT( 503 ) ! VROCP2OXY2+HO=0.5230D-...\n & + 5.8200D-02 * RXRAT( 504 ) ! VROCP3OXY2+HO=0.5820D-...\n & + 4.7900D-02 * RXRAT( 505 ) ! VROCP4OXY2+HO=0.4790D-...\n & + 4.3200D-02 * RXRAT( 507 ) ! VROCP6OXY1+HO=0.4320D-...\n LOSS( VROCP5OXY1 ) = 9.9380D-01 * RXRAT( 506 ) ! VROCP5OXY1+HO=0.6200D-...\n\n PROD( VROCP6OXY1 ) = 3.6900D-02 * RXRAT( 495 ) ! VROCN2OXY2+HO=0.3690D-...\n & + 7.4800D-02 * RXRAT( 498 ) ! VROCN1OXY1+HO=0.7480D-...\n & + 4.2100D-02 * RXRAT( 500 ) ! VROCP0OXY2+HO=0.4210D-...\n & + 9.1100D-02 * RXRAT( 502 ) ! VROCP1OXY1+HO=0.9110D-...\n & + 5.9500D-02 * RXRAT( 503 ) ! VROCP2OXY2+HO=0.5950D-...\n & + 6.6100D-02 * RXRAT( 504 ) ! VROCP3OXY2+HO=0.6610D-...\n & + 7.4500D-02 * RXRAT( 505 ) ! VROCP4OXY2+HO=0.7450D-...\n & + 1.3980D-01 * RXRAT( 506 ) ! VROCP5OXY1+HO=0.1398D+...\n LOSS( VROCP6OXY1 ) = 9.0430D-01 * RXRAT( 507 ) ! VROCP6OXY1+HO=0.9570D-...\n\n RETURN\n\n END\n" }, { "path": "CCTM/src/gas/ebi_cracmm1_aq/hrrates.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE HRRATES\n\nC***********************************************************************\nC\nC FUNCTION: To calculate rates of reactions\nC\nC PRECONDITIONS: For the CRACMM1_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 14, 2022\nC\nC***********************************************************************\n USE HRDATA\n\n IMPLICIT NONE\n\nC.....INCLUDES: NONE\n\n\nC.....ARGUMENTS: NONE\n\n\nC.....PARAMETERS: NONE\n\n\nC.....EXTERNAL FUNCTIONS: NONE\n\n\nC.....SAVED VARIABLES: NONE\n! CHARACTER( 16 ), SAVE :: PNAME = 'HRRATES' ! Program name\n\n\nC.....LOCAL VARIABLES: None\n\nC***********************************************************************\nC..NOTE: RXRAT commented out are not referenced by any routine\n RXRAT( 1 ) = RKI( 1 ) * YC( O3 )\n RXRAT( 2 ) = RKI( 2 ) * YC( O3 )\n RXRAT( 3 ) = RKI( 3 ) * YC( H2O2 )\n! RXRAT( 4 ) = RKI( 4 ) * YC( NO2 )\n RXRAT( 5 ) = RKI( 5 ) * YC( NO3 )\n RXRAT( 6 ) = RKI( 6 ) * YC( NO3 )\n RXRAT( 7 ) = RKI( 7 ) * YC( HONO )\n RXRAT( 8 ) = RKI( 8 ) * YC( HNO3 )\n RXRAT( 9 ) = RKI( 9 ) * YC( HNO4 )\n RXRAT( 10 ) = RKI( 10 ) * YC( HCHO )\n RXRAT( 11 ) = RKI( 11 ) * YC( HCHO )\n RXRAT( 12 ) = RKI( 12 ) * YC( ACD )\n RXRAT( 13 ) = RKI( 13 ) * YC( ALD )\n RXRAT( 14 ) = RKI( 14 ) * YC( ACT )\n RXRAT( 15 ) = RKI( 15 ) * YC( ACT )\n RXRAT( 16 ) = RKI( 16 ) * YC( UALD )\n RXRAT( 17 ) = RKI( 17 ) * YC( PINAL )\n RXRAT( 18 ) = RKI( 18 ) * YC( LIMAL )\n RXRAT( 19 ) = RKI( 19 ) * YC( MEK )\n RXRAT( 20 ) = RKI( 20 ) * YC( KET )\n RXRAT( 21 ) = RKI( 21 ) * YC( HKET )\n RXRAT( 22 ) = RKI( 22 ) * YC( MACR )\n RXRAT( 23 ) = RKI( 23 ) * YC( MVK )\n RXRAT( 24 ) = RKI( 24 ) * YC( GLY )\n RXRAT( 25 ) = RKI( 25 ) * YC( GLY )\n RXRAT( 26 ) = RKI( 26 ) * YC( GLY )\n RXRAT( 27 ) = RKI( 27 ) * YC( MGLY )\n RXRAT( 28 ) = RKI( 28 ) * YC( DCB1 )\n RXRAT( 29 ) = RKI( 29 ) * YC( DCB2 )\n RXRAT( 30 ) = RKI( 30 ) * YC( BALD )\n RXRAT( 31 ) = RKI( 31 ) * YC( OP1 )\n RXRAT( 32 ) = RKI( 32 ) * YC( OP2 )\n RXRAT( 33 ) = RKI( 33 ) * YC( OPB )\n RXRAT( 34 ) = RKI( 34 ) * YC( OP3 )\n RXRAT( 35 ) = RKI( 35 ) * YC( PAA )\n RXRAT( 36 ) = RKI( 36 ) * YC( ONIT )\n RXRAT( 37 ) = RKI( 37 ) * YC( PAN )\n RXRAT( 38 ) = RKI( 38 ) * YC( PAN )\n! RXRAT( 39 ) = RKI( 39 ) * YC( O3 ) * YC( HO )\n! RXRAT( 40 ) = RKI( 40 ) * YC( O3 ) * YC( HO2 )\n! RXRAT( 41 ) = RKI( 41 ) * YC( O3 ) * YC( NO )\n RXRAT( 42 ) = RKI( 42 ) * YC( O3 ) * YC( NO2 )\n! RXRAT( 43 ) = RKI( 43 ) * YC( O3P )\n! RXRAT( 44 ) = RKI( 44 ) * YC( O3P ) * YC( O3 )\n! RXRAT( 45 ) = RKI( 45 ) * YC( O1D )\n! RXRAT( 46 ) = RKI( 46 ) * YC( O1D )\n! RXRAT( 47 ) = RKI( 47 ) * YC( O1D )\n! RXRAT( 48 ) = RKI( 48 ) * YC( HO )\n! RXRAT( 49 ) = RKI( 49 ) * YC( HO ) * YC( HO2 )\n RXRAT( 50 ) = RKI( 50 ) * YC( HO2 ) * YC( HO2 )\n RXRAT( 51 ) = RKI( 51 ) * YC( HO2 ) * YC( HO2 )\n RXRAT( 52 ) = RKI( 52 ) * YC( H2O2 ) * YC( HO )\n! RXRAT( 53 ) = RKI( 53 ) * YC( NO ) * YC( O3P )\n! RXRAT( 54 ) = RKI( 54 ) * YC( NO ) * YC( HO )\n! RXRAT( 55 ) = RKI( 55 ) * YC( NO ) * YC( HO2 )\n RXRAT( 56 ) = RKI( 56 ) * YC( NO ) * YC( HO2 )\n! RXRAT( 57 ) = RKI( 57 ) * YC( NO ) * YC( NO )\n RXRAT( 58 ) = RKI( 58 ) * YC( HONO ) * YC( HO )\n! RXRAT( 59 ) = RKI( 59 ) * YC( NO2 ) * YC( O3P )\n RXRAT( 60 ) = RKI( 60 ) * YC( NO2 ) * YC( O3P )\n RXRAT( 61 ) = RKI( 61 ) * YC( NO2 ) * YC( HO )\n RXRAT( 62 ) = RKI( 62 ) * YC( HNO3 ) * YC( HO )\n RXRAT( 63 ) = RKI( 63 ) * YC( NO3 ) * YC( HO )\n RXRAT( 64 ) = RKI( 64 ) * YC( NO3 ) * YC( HO2 )\n RXRAT( 65 ) = RKI( 65 ) * YC( NO3 ) * YC( NO )\n RXRAT( 66 ) = RKI( 66 ) * YC( NO3 ) * YC( NO2 )\n RXRAT( 67 ) = RKI( 67 ) * YC( NO3 ) * YC( NO3 )\n! RXRAT( 68 ) = RKI( 68 ) * YC( NO3 ) * YC( NO2 )\n RXRAT( 69 ) = RKI( 69 ) * YC( N2O5 )\n RXRAT( 70 ) = RKI( 70 ) * YC( N2O5 )\n! RXRAT( 71 ) = RKI( 71 ) * YC( NO2 ) * YC( HO2 )\n RXRAT( 72 ) = RKI( 72 ) * YC( HNO4 )\n RXRAT( 73 ) = RKI( 73 ) * YC( HNO4 ) * YC( HO )\n RXRAT( 74 ) = RKI( 74 ) * YC( SO2 ) * YC( HO )\n RXRAT( 75 ) = RKI( 75 ) * YC( CO ) * YC( HO )\n RXRAT( 76 ) = RKI( 76 ) * YC( HO )\n RXRAT( 77 ) = RKI( 77 ) * YC( ETH ) * YC( HO )\n RXRAT( 78 ) = RKI( 78 ) * YC( HC3 ) * YC( HO )\n RXRAT( 79 ) = RKI( 79 ) * YC( HC5 ) * YC( HO )\n RXRAT( 80 ) = RKI( 80 ) * YC( ETE ) * YC( HO )\n RXRAT( 81 ) = RKI( 81 ) * YC( OLT ) * YC( HO )\n RXRAT( 82 ) = RKI( 82 ) * YC( OLI ) * YC( HO )\n RXRAT( 83 ) = RKI( 83 ) * YC( ACE ) * YC( HO )\n RXRAT( 84 ) = RKI( 84 ) * YC( BEN ) * YC( HO )\n RXRAT( 85 ) = RKI( 85 ) * YC( TOL ) * YC( HO )\n RXRAT( 86 ) = RKI( 86 ) * YC( XYM ) * YC( HO )\n RXRAT( 87 ) = RKI( 87 ) * YC( XYE ) * YC( HO )\n RXRAT( 88 ) = RKI( 88 ) * YC( ISO ) * YC( HO )\n RXRAT( 89 ) = RKI( 89 ) * YC( API ) * YC( HO )\n RXRAT( 90 ) = RKI( 90 ) * YC( LIM ) * YC( HO )\n RXRAT( 91 ) = RKI( 91 ) * YC( PINAL ) * YC( HO )\n RXRAT( 92 ) = RKI( 92 ) * YC( LIMAL ) * YC( HO )\n RXRAT( 93 ) = RKI( 93 ) * YC( HCHO ) * YC( HO )\n RXRAT( 94 ) = RKI( 94 ) * YC( ACD ) * YC( HO )\n RXRAT( 95 ) = RKI( 95 ) * YC( ALD ) * YC( HO )\n RXRAT( 96 ) = RKI( 96 ) * YC( ACT ) * YC( HO )\n RXRAT( 97 ) = RKI( 97 ) * YC( MEK ) * YC( HO )\n RXRAT( 98 ) = RKI( 98 ) * YC( KET ) * YC( HO )\n RXRAT( 99 ) = RKI( 99 ) * YC( HKET ) * YC( HO )\n RXRAT( 100 ) = RKI( 100 ) * YC( MACR ) * YC( HO )\n RXRAT( 101 ) = RKI( 101 ) * YC( MVK ) * YC( HO )\n RXRAT( 102 ) = RKI( 102 ) * YC( UALD ) * YC( HO )\n RXRAT( 103 ) = RKI( 103 ) * YC( GLY ) * YC( HO )\n RXRAT( 104 ) = RKI( 104 ) * YC( MGLY ) * YC( HO )\n RXRAT( 105 ) = RKI( 105 ) * YC( DCB1 ) * YC( HO )\n RXRAT( 106 ) = RKI( 106 ) * YC( DCB2 ) * YC( HO )\n RXRAT( 107 ) = RKI( 107 ) * YC( DCB3 ) * YC( HO )\n RXRAT( 108 ) = RKI( 108 ) * YC( BALD ) * YC( HO )\n RXRAT( 109 ) = RKI( 109 ) * YC( PHEN ) * YC( HO )\n RXRAT( 110 ) = RKI( 110 ) * YC( CSL ) * YC( HO )\n RXRAT( 111 ) = RKI( 111 ) * YC( MCT ) * YC( HO )\n RXRAT( 112 ) = RKI( 112 ) * YC( MOH ) * YC( HO )\n RXRAT( 113 ) = RKI( 113 ) * YC( EOH ) * YC( HO )\n RXRAT( 114 ) = RKI( 114 ) * YC( ROH ) * YC( HO )\n RXRAT( 115 ) = RKI( 115 ) * YC( ETEG ) * YC( HO )\n RXRAT( 116 ) = RKI( 116 ) * YC( OP1 ) * YC( HO )\n RXRAT( 117 ) = RKI( 117 ) * YC( OP2 ) * YC( HO )\n RXRAT( 118 ) = RKI( 118 ) * YC( OPB ) * YC( HO )\n RXRAT( 119 ) = RKI( 119 ) * YC( OP3 ) * YC( HO )\n RXRAT( 120 ) = RKI( 120 ) * YC( ISHP ) * YC( HO )\n RXRAT( 121 ) = RKI( 121 ) * YC( MAHP ) * YC( HO )\n RXRAT( 122 ) = RKI( 122 ) * YC( ORA1 ) * YC( HO )\n RXRAT( 123 ) = RKI( 123 ) * YC( ORA2 ) * YC( HO )\n RXRAT( 124 ) = RKI( 124 ) * YC( PAA ) * YC( HO )\n RXRAT( 125 ) = RKI( 125 ) * YC( PAN ) * YC( HO )\n RXRAT( 126 ) = RKI( 126 ) * YC( PPN ) * YC( HO )\n RXRAT( 127 ) = RKI( 127 ) * YC( MPAN ) * YC( HO )\n RXRAT( 128 ) = RKI( 128 ) * YC( ONIT ) * YC( HO )\n RXRAT( 129 ) = RKI( 129 ) * YC( TRPN ) * YC( HO )\n RXRAT( 130 ) = RKI( 130 ) * YC( NALD ) * YC( HO )\n RXRAT( 131 ) = RKI( 131 ) * YC( ISON ) * YC( HO )\n RXRAT( 132 ) = RKI( 132 ) * YC( ETE ) * YC( O3 )\n RXRAT( 133 ) = RKI( 133 ) * YC( OLT ) * YC( O3 )\n RXRAT( 134 ) = RKI( 134 ) * YC( OLI ) * YC( O3 )\n RXRAT( 135 ) = RKI( 135 ) * YC( ISO ) * YC( O3 )\n RXRAT( 136 ) = RKI( 136 ) * YC( API ) * YC( O3 )\n RXRAT( 137 ) = RKI( 137 ) * YC( LIM ) * YC( O3 )\n RXRAT( 138 ) = RKI( 138 ) * YC( LIMAL ) * YC( O3 )\n RXRAT( 139 ) = RKI( 139 ) * YC( TRPN ) * YC( O3 )\n RXRAT( 140 ) = RKI( 140 ) * YC( MACR ) * YC( O3 )\n RXRAT( 141 ) = RKI( 141 ) * YC( MVK ) * YC( O3 )\n RXRAT( 142 ) = RKI( 142 ) * YC( UALD ) * YC( O3 )\n RXRAT( 143 ) = RKI( 143 ) * YC( DCB1 ) * YC( O3 )\n RXRAT( 144 ) = RKI( 144 ) * YC( DCB2 ) * YC( O3 )\n RXRAT( 145 ) = RKI( 145 ) * YC( DCB3 ) * YC( O3 )\n RXRAT( 146 ) = RKI( 146 ) * YC( MCTO ) * YC( O3 )\n RXRAT( 147 ) = RKI( 147 ) * YC( ETE ) * YC( NO3 )\n RXRAT( 148 ) = RKI( 148 ) * YC( OLT ) * YC( NO3 )\n RXRAT( 149 ) = RKI( 149 ) * YC( OLI ) * YC( NO3 )\n RXRAT( 150 ) = RKI( 150 ) * YC( ISO ) * YC( NO3 )\n RXRAT( 151 ) = RKI( 151 ) * YC( API ) * YC( NO3 )\n RXRAT( 152 ) = RKI( 152 ) * YC( LIM ) * YC( NO3 )\n RXRAT( 153 ) = RKI( 153 ) * YC( TRPN ) * YC( NO3 )\n RXRAT( 154 ) = RKI( 154 ) * YC( HCHO ) * YC( NO3 )\n RXRAT( 155 ) = RKI( 155 ) * YC( ACD ) * YC( NO3 )\n RXRAT( 156 ) = RKI( 156 ) * YC( ALD ) * YC( NO3 )\n RXRAT( 157 ) = RKI( 157 ) * YC( MACR ) * YC( NO3 )\n RXRAT( 158 ) = RKI( 158 ) * YC( UALD ) * YC( NO3 )\n RXRAT( 159 ) = RKI( 159 ) * YC( GLY ) * YC( NO3 )\n RXRAT( 160 ) = RKI( 160 ) * YC( MGLY ) * YC( NO3 )\n RXRAT( 161 ) = RKI( 161 ) * YC( PHEN ) * YC( NO3 )\n RXRAT( 162 ) = RKI( 162 ) * YC( CSL ) * YC( NO3 )\n RXRAT( 163 ) = RKI( 163 ) * YC( MCT ) * YC( NO3 )\n RXRAT( 164 ) = RKI( 164 ) * YC( MPAN ) * YC( NO3 )\n RXRAT( 165 ) = RKI( 165 ) * YC( PINALP )\n RXRAT( 166 ) = RKI( 166 ) * YC( LIMALP )\n! RXRAT( 167 ) = RKI( 167 ) * YC( ACO3 ) * YC( NO2 )\n RXRAT( 168 ) = RKI( 168 ) * YC( PAN )\n RXRAT( 169 ) = RKI( 169 ) * YC( RCO3 ) * YC( NO2 )\n RXRAT( 170 ) = RKI( 170 ) * YC( PPN )\n RXRAT( 171 ) = RKI( 171 ) * YC( MACP ) * YC( NO2 )\n RXRAT( 172 ) = RKI( 172 ) * YC( MPAN )\n RXRAT( 173 ) = RKI( 173 ) * YC( MO2 ) * YC( NO )\n RXRAT( 174 ) = RKI( 174 ) * YC( ETHP ) * YC( NO )\n RXRAT( 175 ) = RKI( 175 ) * YC( HC3P ) * YC( NO )\n RXRAT( 176 ) = RKI( 176 ) * YC( HC5P ) * YC( NO )\n RXRAT( 177 ) = RKI( 177 ) * YC( ETEP ) * YC( NO )\n RXRAT( 178 ) = RKI( 178 ) * YC( OLTP ) * YC( NO )\n RXRAT( 179 ) = RKI( 179 ) * YC( OLIP ) * YC( NO )\n RXRAT( 180 ) = RKI( 180 ) * YC( BENP ) * YC( NO )\n RXRAT( 181 ) = RKI( 181 ) * YC( TOLP ) * YC( NO )\n RXRAT( 182 ) = RKI( 182 ) * YC( XYMP ) * YC( NO )\n RXRAT( 183 ) = RKI( 183 ) * YC( XYEP ) * YC( NO )\n RXRAT( 184 ) = RKI( 184 ) * YC( ISOP ) * YC( NO )\n RXRAT( 185 ) = RKI( 185 ) * YC( APIP1 ) * YC( NO )\n RXRAT( 186 ) = RKI( 186 ) * YC( APIP2 ) * YC( NO )\n RXRAT( 187 ) = RKI( 187 ) * YC( APINP1 ) * YC( NO )\n RXRAT( 188 ) = RKI( 188 ) * YC( APINP2 ) * YC( NO )\n RXRAT( 189 ) = RKI( 189 ) * YC( LIMP1 ) * YC( NO )\n RXRAT( 190 ) = RKI( 190 ) * YC( LIMP2 ) * YC( NO )\n RXRAT( 191 ) = RKI( 191 ) * YC( LIMNP1 ) * YC( NO )\n RXRAT( 192 ) = RKI( 192 ) * YC( LIMNP2 ) * YC( NO )\n RXRAT( 193 ) = RKI( 193 ) * YC( PINALP ) * YC( NO )\n RXRAT( 194 ) = RKI( 194 ) * YC( LIMALP ) * YC( NO )\n RXRAT( 195 ) = RKI( 195 ) * YC( ACO3 ) * YC( NO )\n RXRAT( 196 ) = RKI( 196 ) * YC( RCO3 ) * YC( NO )\n RXRAT( 197 ) = RKI( 197 ) * YC( ACTP ) * YC( NO )\n RXRAT( 198 ) = RKI( 198 ) * YC( MEKP ) * YC( NO )\n RXRAT( 199 ) = RKI( 199 ) * YC( KETP ) * YC( NO )\n RXRAT( 200 ) = RKI( 200 ) * YC( MACP ) * YC( NO )\n RXRAT( 201 ) = RKI( 201 ) * YC( MCP ) * YC( NO )\n RXRAT( 202 ) = RKI( 202 ) * YC( MVKP ) * YC( NO )\n RXRAT( 203 ) = RKI( 203 ) * YC( UALP ) * YC( NO )\n RXRAT( 204 ) = RKI( 204 ) * YC( BALP ) * YC( NO )\n RXRAT( 205 ) = RKI( 205 ) * YC( BAL1 ) * YC( NO )\n RXRAT( 206 ) = RKI( 206 ) * YC( ADDC ) * YC( NO )\n RXRAT( 207 ) = RKI( 207 ) * YC( MCTP ) * YC( NO )\n RXRAT( 208 ) = RKI( 208 ) * YC( ORAP ) * YC( NO )\n RXRAT( 209 ) = RKI( 209 ) * YC( OLNN ) * YC( NO )\n RXRAT( 210 ) = RKI( 210 ) * YC( OLND ) * YC( NO )\n RXRAT( 211 ) = RKI( 211 ) * YC( ADCN ) * YC( NO )\n RXRAT( 212 ) = RKI( 212 ) * YC( XO2 ) * YC( NO )\n RXRAT( 213 ) = RKI( 213 ) * YC( BAL2 ) * YC( NO2 )\n RXRAT( 214 ) = RKI( 214 ) * YC( CHO ) * YC( NO2 )\n RXRAT( 215 ) = RKI( 215 ) * YC( MCTO ) * YC( NO2 )\n RXRAT( 216 ) = RKI( 216 ) * YC( MO2 ) * YC( HO2 )\n RXRAT( 217 ) = RKI( 217 ) * YC( ETHP ) * YC( HO2 )\n RXRAT( 218 ) = RKI( 218 ) * YC( HC3P ) * YC( HO2 )\n RXRAT( 219 ) = RKI( 219 ) * YC( HC5P ) * YC( HO2 )\n RXRAT( 220 ) = RKI( 220 ) * YC( ETEP ) * YC( HO2 )\n RXRAT( 221 ) = RKI( 221 ) * YC( OLTP ) * YC( HO2 )\n RXRAT( 222 ) = RKI( 222 ) * YC( OLIP ) * YC( HO2 )\n RXRAT( 223 ) = RKI( 223 ) * YC( BENP ) * YC( HO2 )\n RXRAT( 224 ) = RKI( 224 ) * YC( TOLP ) * YC( HO2 )\n RXRAT( 225 ) = RKI( 225 ) * YC( XYMP ) * YC( HO2 )\n RXRAT( 226 ) = RKI( 226 ) * YC( XYEP ) * YC( HO2 )\n RXRAT( 227 ) = RKI( 227 ) * YC( ISOP ) * YC( HO2 )\n RXRAT( 228 ) = RKI( 228 ) * YC( APIP1 ) * YC( HO2 )\n RXRAT( 229 ) = RKI( 229 ) * YC( APIP2 ) * YC( HO2 )\n RXRAT( 230 ) = RKI( 230 ) * YC( APINP1 ) * YC( HO2 )\n RXRAT( 231 ) = RKI( 231 ) * YC( APINP2 ) * YC( HO2 )\n RXRAT( 232 ) = RKI( 232 ) * YC( LIMP1 ) * YC( HO2 )\n RXRAT( 233 ) = RKI( 233 ) * YC( LIMP2 ) * YC( HO2 )\n RXRAT( 234 ) = RKI( 234 ) * YC( LIMNP1 ) * YC( HO2 )\n RXRAT( 235 ) = RKI( 235 ) * YC( LIMNP2 ) * YC( HO2 )\n RXRAT( 236 ) = RKI( 236 ) * YC( PINALP ) * YC( HO2 )\n RXRAT( 237 ) = RKI( 237 ) * YC( LIMALP ) * YC( HO2 )\n RXRAT( 238 ) = RKI( 238 ) * YC( ACO3 ) * YC( HO2 )\n RXRAT( 239 ) = RKI( 239 ) * YC( RCO3 ) * YC( HO2 )\n RXRAT( 240 ) = RKI( 240 ) * YC( ACTP ) * YC( HO2 )\n RXRAT( 241 ) = RKI( 241 ) * YC( MEKP ) * YC( HO2 )\n RXRAT( 242 ) = RKI( 242 ) * YC( KETP ) * YC( HO2 )\n RXRAT( 243 ) = RKI( 243 ) * YC( MACP ) * YC( HO2 )\n RXRAT( 244 ) = RKI( 244 ) * YC( MCP ) * YC( HO2 )\n RXRAT( 245 ) = RKI( 245 ) * YC( MVKP ) * YC( HO2 )\n RXRAT( 246 ) = RKI( 246 ) * YC( UALP ) * YC( HO2 )\n RXRAT( 247 ) = RKI( 247 ) * YC( ADDC ) * YC( HO2 )\n RXRAT( 248 ) = RKI( 248 ) * YC( CHO ) * YC( HO2 )\n RXRAT( 249 ) = RKI( 249 ) * YC( MCTP ) * YC( HO2 )\n RXRAT( 250 ) = RKI( 250 ) * YC( ORAP ) * YC( HO2 )\n RXRAT( 251 ) = RKI( 251 ) * YC( OLNN ) * YC( HO2 )\n RXRAT( 252 ) = RKI( 252 ) * YC( OLND ) * YC( HO2 )\n RXRAT( 253 ) = RKI( 253 ) * YC( ADCN ) * YC( HO2 )\n RXRAT( 254 ) = RKI( 254 ) * YC( XO2 ) * YC( HO2 )\n RXRAT( 255 ) = RKI( 255 ) * YC( MO2 ) * YC( MO2 )\n RXRAT( 256 ) = RKI( 256 ) * YC( ETHP ) * YC( MO2 )\n RXRAT( 257 ) = RKI( 257 ) * YC( HC3P ) * YC( MO2 )\n RXRAT( 258 ) = RKI( 258 ) * YC( HC5P ) * YC( MO2 )\n RXRAT( 259 ) = RKI( 259 ) * YC( ETEP ) * YC( MO2 )\n RXRAT( 260 ) = RKI( 260 ) * YC( OLTP ) * YC( MO2 )\n RXRAT( 261 ) = RKI( 261 ) * YC( OLIP ) * YC( MO2 )\n RXRAT( 262 ) = RKI( 262 ) * YC( BENP ) * YC( MO2 )\n RXRAT( 263 ) = RKI( 263 ) * YC( TOLP ) * YC( MO2 )\n RXRAT( 264 ) = RKI( 264 ) * YC( XYMP ) * YC( MO2 )\n RXRAT( 265 ) = RKI( 265 ) * YC( XYEP ) * YC( MO2 )\n RXRAT( 266 ) = RKI( 266 ) * YC( ISOP ) * YC( MO2 )\n RXRAT( 267 ) = RKI( 267 ) * YC( APIP1 ) * YC( MO2 )\n RXRAT( 268 ) = RKI( 268 ) * YC( APIP2 ) * YC( MO2 )\n RXRAT( 269 ) = RKI( 269 ) * YC( APINP1 ) * YC( MO2 )\n RXRAT( 270 ) = RKI( 270 ) * YC( APINP2 ) * YC( MO2 )\n RXRAT( 271 ) = RKI( 271 ) * YC( LIMP1 ) * YC( MO2 )\n RXRAT( 272 ) = RKI( 272 ) * YC( LIMP2 ) * YC( MO2 )\n RXRAT( 273 ) = RKI( 273 ) * YC( LIMNP1 ) * YC( MO2 )\n RXRAT( 274 ) = RKI( 274 ) * YC( LIMNP2 ) * YC( MO2 )\n RXRAT( 275 ) = RKI( 275 ) * YC( ACO3 ) * YC( MO2 )\n RXRAT( 276 ) = RKI( 276 ) * YC( RCO3 ) * YC( MO2 )\n RXRAT( 277 ) = RKI( 277 ) * YC( ACTP ) * YC( MO2 )\n RXRAT( 278 ) = RKI( 278 ) * YC( MEKP ) * YC( MO2 )\n RXRAT( 279 ) = RKI( 279 ) * YC( KETP ) * YC( MO2 )\n RXRAT( 280 ) = RKI( 280 ) * YC( MACP ) * YC( MO2 )\n RXRAT( 281 ) = RKI( 281 ) * YC( MCP ) * YC( MO2 )\n RXRAT( 282 ) = RKI( 282 ) * YC( MVKP ) * YC( MO2 )\n RXRAT( 283 ) = RKI( 283 ) * YC( UALP ) * YC( MO2 )\n RXRAT( 284 ) = RKI( 284 ) * YC( BALP ) * YC( MO2 )\n RXRAT( 285 ) = RKI( 285 ) * YC( BAL1 ) * YC( MO2 )\n RXRAT( 286 ) = RKI( 286 ) * YC( ADDC ) * YC( MO2 )\n RXRAT( 287 ) = RKI( 287 ) * YC( MCTP ) * YC( MO2 )\n RXRAT( 288 ) = RKI( 288 ) * YC( ORAP ) * YC( MO2 )\n RXRAT( 289 ) = RKI( 289 ) * YC( OLNN ) * YC( MO2 )\n RXRAT( 290 ) = RKI( 290 ) * YC( OLND ) * YC( MO2 )\n RXRAT( 291 ) = RKI( 291 ) * YC( ADCN ) * YC( MO2 )\n RXRAT( 292 ) = RKI( 292 ) * YC( XO2 ) * YC( MO2 )\n RXRAT( 293 ) = RKI( 293 ) * YC( ETHP ) * YC( ACO3 )\n RXRAT( 294 ) = RKI( 294 ) * YC( HC3P ) * YC( ACO3 )\n RXRAT( 295 ) = RKI( 295 ) * YC( HC5P ) * YC( ACO3 )\n RXRAT( 296 ) = RKI( 296 ) * YC( ETEP ) * YC( ACO3 )\n RXRAT( 297 ) = RKI( 297 ) * YC( OLTP ) * YC( ACO3 )\n RXRAT( 298 ) = RKI( 298 ) * YC( OLIP ) * YC( ACO3 )\n RXRAT( 299 ) = RKI( 299 ) * YC( BENP ) * YC( ACO3 )\n RXRAT( 300 ) = RKI( 300 ) * YC( TOLP ) * YC( ACO3 )\n RXRAT( 301 ) = RKI( 301 ) * YC( XYMP ) * YC( ACO3 )\n RXRAT( 302 ) = RKI( 302 ) * YC( XYEP ) * YC( ACO3 )\n RXRAT( 303 ) = RKI( 303 ) * YC( ISOP ) * YC( ACO3 )\n RXRAT( 304 ) = RKI( 304 ) * YC( APIP1 ) * YC( ACO3 )\n RXRAT( 305 ) = RKI( 305 ) * YC( APIP2 ) * YC( ACO3 )\n RXRAT( 306 ) = RKI( 306 ) * YC( APINP1 ) * YC( ACO3 )\n RXRAT( 307 ) = RKI( 307 ) * YC( APINP2 ) * YC( ACO3 )\n RXRAT( 308 ) = RKI( 308 ) * YC( LIMP1 ) * YC( ACO3 )\n RXRAT( 309 ) = RKI( 309 ) * YC( LIMP2 ) * YC( ACO3 )\n RXRAT( 310 ) = RKI( 310 ) * YC( LIMNP1 ) * YC( ACO3 )\n RXRAT( 311 ) = RKI( 311 ) * YC( LIMNP2 ) * YC( ACO3 )\n RXRAT( 312 ) = RKI( 312 ) * YC( ACO3 ) * YC( ACO3 )\n RXRAT( 313 ) = RKI( 313 ) * YC( RCO3 ) * YC( ACO3 )\n RXRAT( 314 ) = RKI( 314 ) * YC( ACTP ) * YC( ACO3 )\n RXRAT( 315 ) = RKI( 315 ) * YC( MEKP ) * YC( ACO3 )\n RXRAT( 316 ) = RKI( 316 ) * YC( KETP ) * YC( ACO3 )\n RXRAT( 317 ) = RKI( 317 ) * YC( MACP ) * YC( ACO3 )\n RXRAT( 318 ) = RKI( 318 ) * YC( MCP ) * YC( ACO3 )\n RXRAT( 319 ) = RKI( 319 ) * YC( MVKP ) * YC( ACO3 )\n RXRAT( 320 ) = RKI( 320 ) * YC( UALP ) * YC( ACO3 )\n RXRAT( 321 ) = RKI( 321 ) * YC( BALP ) * YC( ACO3 )\n RXRAT( 322 ) = RKI( 322 ) * YC( BAL1 ) * YC( ACO3 )\n RXRAT( 323 ) = RKI( 323 ) * YC( ADDC ) * YC( ACO3 )\n RXRAT( 324 ) = RKI( 324 ) * YC( MCTP ) * YC( ACO3 )\n RXRAT( 325 ) = RKI( 325 ) * YC( ORAP ) * YC( ACO3 )\n RXRAT( 326 ) = RKI( 326 ) * YC( OLNN ) * YC( ACO3 )\n RXRAT( 327 ) = RKI( 327 ) * YC( OLND ) * YC( ACO3 )\n RXRAT( 328 ) = RKI( 328 ) * YC( ADCN ) * YC( ACO3 )\n RXRAT( 329 ) = RKI( 329 ) * YC( XO2 ) * YC( ACO3 )\n RXRAT( 330 ) = RKI( 330 ) * YC( RCO3 ) * YC( RCO3 )\n RXRAT( 331 ) = RKI( 331 ) * YC( MO2 ) * YC( NO3 )\n RXRAT( 332 ) = RKI( 332 ) * YC( ETHP ) * YC( NO3 )\n RXRAT( 333 ) = RKI( 333 ) * YC( HC3P ) * YC( NO3 )\n RXRAT( 334 ) = RKI( 334 ) * YC( HC5P ) * YC( NO3 )\n RXRAT( 335 ) = RKI( 335 ) * YC( ETEP ) * YC( NO3 )\n RXRAT( 336 ) = RKI( 336 ) * YC( OLTP ) * YC( NO3 )\n RXRAT( 337 ) = RKI( 337 ) * YC( OLIP ) * YC( NO3 )\n RXRAT( 338 ) = RKI( 338 ) * YC( BENP ) * YC( NO3 )\n RXRAT( 339 ) = RKI( 339 ) * YC( TOLP ) * YC( NO3 )\n RXRAT( 340 ) = RKI( 340 ) * YC( XYMP ) * YC( NO3 )\n RXRAT( 341 ) = RKI( 341 ) * YC( XYEP ) * YC( NO3 )\n RXRAT( 342 ) = RKI( 342 ) * YC( ISOP ) * YC( NO3 )\n RXRAT( 343 ) = RKI( 343 ) * YC( APIP1 ) * YC( NO3 )\n RXRAT( 344 ) = RKI( 344 ) * YC( LIMP1 ) * YC( NO3 )\n RXRAT( 345 ) = RKI( 345 ) * YC( ACO3 ) * YC( NO3 )\n RXRAT( 346 ) = RKI( 346 ) * YC( RCO3 ) * YC( NO3 )\n RXRAT( 347 ) = RKI( 347 ) * YC( ACTP ) * YC( NO3 )\n RXRAT( 348 ) = RKI( 348 ) * YC( MEKP ) * YC( NO3 )\n RXRAT( 349 ) = RKI( 349 ) * YC( KETP ) * YC( NO3 )\n RXRAT( 350 ) = RKI( 350 ) * YC( MACP ) * YC( NO3 )\n RXRAT( 351 ) = RKI( 351 ) * YC( MCP ) * YC( NO3 )\n RXRAT( 352 ) = RKI( 352 ) * YC( MVKP ) * YC( NO3 )\n RXRAT( 353 ) = RKI( 353 ) * YC( UALP ) * YC( NO3 )\n RXRAT( 354 ) = RKI( 354 ) * YC( BALP ) * YC( NO3 )\n RXRAT( 355 ) = RKI( 355 ) * YC( BAL1 ) * YC( NO3 )\n RXRAT( 356 ) = RKI( 356 ) * YC( ADDC ) * YC( NO3 )\n RXRAT( 357 ) = RKI( 357 ) * YC( MCTP ) * YC( NO3 )\n RXRAT( 358 ) = RKI( 358 ) * YC( ORAP ) * YC( NO3 )\n RXRAT( 359 ) = RKI( 359 ) * YC( OLNN ) * YC( NO3 )\n RXRAT( 360 ) = RKI( 360 ) * YC( OLND ) * YC( NO3 )\n RXRAT( 361 ) = RKI( 361 ) * YC( ADCN ) * YC( NO3 )\n RXRAT( 362 ) = RKI( 362 ) * YC( OLNN ) * YC( OLNN )\n RXRAT( 363 ) = RKI( 363 ) * YC( OLNN ) * YC( OLND )\n RXRAT( 364 ) = RKI( 364 ) * YC( OLND ) * YC( OLND )\n RXRAT( 365 ) = RKI( 365 ) * YC( XO2 ) * YC( NO3 )\n RXRAT( 366 ) = RKI( 366 ) * YC( XO2 ) * YC( RCO3 )\n RXRAT( 367 ) = RKI( 367 ) * YC( XO2 ) * YC( XO2 )\n RXRAT( 368 ) = RKI( 368 ) * YC( APIP2 ) * YC( APIP1 )\n RXRAT( 369 ) = RKI( 369 ) * YC( APIP2 ) * YC( LIMP1 )\n RXRAT( 370 ) = RKI( 370 ) * YC( APIP2 ) * YC( ISOP )\n RXRAT( 371 ) = RKI( 371 ) * YC( LIMP2 ) * YC( APIP1 )\n RXRAT( 372 ) = RKI( 372 ) * YC( LIMP2 ) * YC( LIMP1 )\n RXRAT( 373 ) = RKI( 373 ) * YC( LIMP2 ) * YC( ISOP )\n RXRAT( 374 ) = RKI( 374 ) * YC( APINP2 ) * YC( APIP1 )\n RXRAT( 375 ) = RKI( 375 ) * YC( APINP2 ) * YC( LIMP1 )\n RXRAT( 376 ) = RKI( 376 ) * YC( APINP2 ) * YC( ISOP )\n RXRAT( 377 ) = RKI( 377 ) * YC( LIMNP2 ) * YC( APIP1 )\n RXRAT( 378 ) = RKI( 378 ) * YC( LIMNP2 ) * YC( LIMP1 )\n RXRAT( 379 ) = RKI( 379 ) * YC( LIMNP2 ) * YC( ISOP )\n RXRAT( 380 ) = RKI( 380 ) * YC( IEPOX ) * YC( HO )\n RXRAT( 381 ) = RKI( 381 ) * YC( VROCIOXY ) * YC( HO )\n RXRAT( 382 ) = RKI( 382 ) * YC( SLOWROC ) * YC( HO )\n RXRAT( 383 ) = RKI( 383 ) * YC( ACRO ) * YC( HO )\n RXRAT( 384 ) = RKI( 384 ) * YC( ACRO ) * YC( O3 )\n RXRAT( 385 ) = RKI( 385 ) * YC( ACRO ) * YC( NO3 )\n RXRAT( 386 ) = RKI( 386 ) * YC( ACRO )\n RXRAT( 387 ) = RKI( 387 ) * YC( BDE13 ) * YC( HO )\n RXRAT( 388 ) = RKI( 388 ) * YC( BDE13P ) * YC( NO )\n RXRAT( 389 ) = RKI( 389 ) * YC( BDE13P ) * YC( NO3 )\n RXRAT( 390 ) = RKI( 390 ) * YC( BDE13P ) * YC( HO2 )\n RXRAT( 391 ) = RKI( 391 ) * YC( BDE13P ) * YC( MO2 )\n RXRAT( 392 ) = RKI( 392 ) * YC( BDE13P ) * YC( ACO3 )\n RXRAT( 393 ) = RKI( 393 ) * YC( BDE13 ) * YC( O3 )\n RXRAT( 394 ) = RKI( 394 ) * YC( BDE13 ) * YC( NO3 )\n RXRAT( 395 ) = RKI( 395 ) * YC( FURAN ) * YC( HO )\n RXRAT( 396 ) = RKI( 396 ) * YC( FURANO2 ) * YC( NO )\n RXRAT( 397 ) = RKI( 397 ) * YC( FURANO2 ) * YC( HO2 )\n RXRAT( 398 ) = RKI( 398 ) * YC( FURANONE ) * YC( HO )\n RXRAT( 399 ) = RKI( 399 ) * YC( FURAN ) * YC( O3 )\n RXRAT( 400 ) = RKI( 400 ) * YC( FURAN ) * YC( NO3 )\n RXRAT( 401 ) = RKI( 401 ) * YC( PROG ) * YC( HO )\n RXRAT( 402 ) = RKI( 402 ) * YC( SESQ ) * YC( NO3 )\n RXRAT( 403 ) = RKI( 403 ) * YC( SESQNRO2 ) * YC( HO2 )\n RXRAT( 404 ) = RKI( 404 ) * YC( SESQNRO2 ) * YC( NO )\n RXRAT( 405 ) = RKI( 405 ) * YC( SESQNRO2 ) * YC( NO3 )\n RXRAT( 406 ) = RKI( 406 ) * YC( SESQ ) * YC( O3 )\n RXRAT( 407 ) = RKI( 407 ) * YC( SESQ ) * YC( HO )\n RXRAT( 408 ) = RKI( 408 ) * YC( SESQRO2 ) * YC( HO2 )\n RXRAT( 409 ) = RKI( 409 ) * YC( SESQRO2 ) * YC( NO3 )\n RXRAT( 410 ) = RKI( 410 ) * YC( SESQRO2 ) * YC( NO )\n RXRAT( 411 ) = RKI( 411 ) * YC( GLY )\n RXRAT( 412 ) = RKI( 412 ) * YC( MGLY )\n RXRAT( 413 ) = RKI( 413 ) * YC( N2O5 )\n RXRAT( 414 ) = RKI( 414 ) * YC( NO2 )\n! RXRAT( 415 ) = RKI( 415 ) * YC( O3 )\n RXRAT( 416 ) = RKI( 416 ) * YC( IEPOX )\n RXRAT( 417 ) = RKI( 417 ) * YC( IEPOXP )\n RXRAT( 418 ) = RKI( 418 ) * YC( IEPOXP ) * YC( ASO4J )\n RXRAT( 419 ) = RKI( 419 ) * YC( VROCP6ALK ) * YC( HO )\n RXRAT( 420 ) = RKI( 420 ) * YC( VROCP5ALK ) * YC( HO )\n RXRAT( 421 ) = RKI( 421 ) * YC( VROCP4ALK ) * YC( HO )\n RXRAT( 422 ) = RKI( 422 ) * YC( VROCP3ALK ) * YC( HO )\n RXRAT( 423 ) = RKI( 423 ) * YC( VROCP2ALK ) * YC( HO )\n RXRAT( 424 ) = RKI( 424 ) * YC( VROCP1ALK ) * YC( HO )\n RXRAT( 425 ) = RKI( 425 ) * YC( HC10 ) * YC( HO )\n RXRAT( 426 ) = RKI( 426 ) * YC( VROCP6ALKP ) * YC( NO )\n RXRAT( 427 ) = RKI( 427 ) * YC( VROCP5ALKP ) * YC( NO )\n RXRAT( 428 ) = RKI( 428 ) * YC( VROCP4ALKP ) * YC( NO )\n RXRAT( 429 ) = RKI( 429 ) * YC( VROCP3ALKP ) * YC( NO )\n RXRAT( 430 ) = RKI( 430 ) * YC( VROCP2ALKP ) * YC( NO )\n RXRAT( 431 ) = RKI( 431 ) * YC( VROCP1ALKP ) * YC( NO )\n RXRAT( 432 ) = RKI( 432 ) * YC( HC10P ) * YC( NO )\n RXRAT( 433 ) = RKI( 433 ) * YC( VROCP6ALKP ) * YC( NO3 )\n RXRAT( 434 ) = RKI( 434 ) * YC( VROCP5ALKP ) * YC( NO3 )\n RXRAT( 435 ) = RKI( 435 ) * YC( VROCP4ALKP ) * YC( NO3 )\n RXRAT( 436 ) = RKI( 436 ) * YC( VROCP3ALKP ) * YC( NO3 )\n RXRAT( 437 ) = RKI( 437 ) * YC( VROCP2ALKP ) * YC( NO3 )\n RXRAT( 438 ) = RKI( 438 ) * YC( VROCP1ALKP ) * YC( NO3 )\n RXRAT( 439 ) = RKI( 439 ) * YC( HC10P ) * YC( NO3 )\n RXRAT( 440 ) = RKI( 440 ) * YC( VROCP6ALKP ) * YC( HO2 )\n RXRAT( 441 ) = RKI( 441 ) * YC( VROCP5ALKP ) * YC( HO2 )\n RXRAT( 442 ) = RKI( 442 ) * YC( VROCP4ALKP ) * YC( HO2 )\n RXRAT( 443 ) = RKI( 443 ) * YC( VROCP3ALKP ) * YC( HO2 )\n RXRAT( 444 ) = RKI( 444 ) * YC( VROCP2ALKP ) * YC( HO2 )\n RXRAT( 445 ) = RKI( 445 ) * YC( VROCP1ALKP ) * YC( HO2 )\n RXRAT( 446 ) = RKI( 446 ) * YC( HC10P ) * YC( HO2 )\n RXRAT( 447 ) = RKI( 447 ) * YC( VROCP6ALKP2 )\n RXRAT( 448 ) = RKI( 448 ) * YC( VROCP5ALKP2 )\n RXRAT( 449 ) = RKI( 449 ) * YC( VROCP4ALKP2 )\n RXRAT( 450 ) = RKI( 450 ) * YC( VROCP3ALKP2 )\n RXRAT( 451 ) = RKI( 451 ) * YC( VROCP2ALKP2 )\n RXRAT( 452 ) = RKI( 452 ) * YC( VROCP1ALKP2 )\n RXRAT( 453 ) = RKI( 453 ) * YC( HC10P2 )\n RXRAT( 454 ) = RKI( 454 ) * YC( VROCP6ALKP2 ) * YC( NO )\n RXRAT( 455 ) = RKI( 455 ) * YC( VROCP5ALKP2 ) * YC( NO )\n RXRAT( 456 ) = RKI( 456 ) * YC( VROCP4ALKP2 ) * YC( NO )\n RXRAT( 457 ) = RKI( 457 ) * YC( VROCP3ALKP2 ) * YC( NO )\n RXRAT( 458 ) = RKI( 458 ) * YC( VROCP2ALKP2 ) * YC( NO )\n RXRAT( 459 ) = RKI( 459 ) * YC( VROCP1ALKP2 ) * YC( NO )\n RXRAT( 460 ) = RKI( 460 ) * YC( HC10P2 ) * YC( NO )\n RXRAT( 461 ) = RKI( 461 ) * YC( VROCP6ALKP2 ) * YC( NO3 )\n RXRAT( 462 ) = RKI( 462 ) * YC( VROCP5ALKP2 ) * YC( NO3 )\n RXRAT( 463 ) = RKI( 463 ) * YC( VROCP4ALKP2 ) * YC( NO3 )\n RXRAT( 464 ) = RKI( 464 ) * YC( VROCP3ALKP2 ) * YC( NO3 )\n RXRAT( 465 ) = RKI( 465 ) * YC( VROCP2ALKP2 ) * YC( NO3 )\n RXRAT( 466 ) = RKI( 466 ) * YC( VROCP1ALKP2 ) * YC( NO3 )\n RXRAT( 467 ) = RKI( 467 ) * YC( HC10P2 ) * YC( NO3 )\n RXRAT( 468 ) = RKI( 468 ) * YC( VROCP6ALKP2 ) * YC( HO2 )\n RXRAT( 469 ) = RKI( 469 ) * YC( VROCP5ALKP2 ) * YC( HO2 )\n RXRAT( 470 ) = RKI( 470 ) * YC( VROCP4ALKP2 ) * YC( HO2 )\n RXRAT( 471 ) = RKI( 471 ) * YC( VROCP3ALKP2 ) * YC( HO2 )\n RXRAT( 472 ) = RKI( 472 ) * YC( VROCP2ALKP2 ) * YC( HO2 )\n RXRAT( 473 ) = RKI( 473 ) * YC( VROCP1ALKP2 ) * YC( HO2 )\n RXRAT( 474 ) = RKI( 474 ) * YC( HC10P2 ) * YC( HO2 )\n RXRAT( 475 ) = RKI( 475 ) * YC( VROCP6ARO ) * YC( HO )\n RXRAT( 476 ) = RKI( 476 ) * YC( VROCP6AROP ) * YC( HO2 )\n RXRAT( 477 ) = RKI( 477 ) * YC( VROCP6AROP ) * YC( NO )\n RXRAT( 478 ) = RKI( 478 ) * YC( VROCP6AROP ) * YC( NO3 )\n RXRAT( 479 ) = RKI( 479 ) * YC( VROCP6AROP ) * YC( MO2 )\n RXRAT( 480 ) = RKI( 480 ) * YC( VROCP6AROP ) * YC( ACO3 )\n RXRAT( 481 ) = RKI( 481 ) * YC( VROCP5ARO ) * YC( HO )\n RXRAT( 482 ) = RKI( 482 ) * YC( VROCP5AROP ) * YC( HO2 )\n RXRAT( 483 ) = RKI( 483 ) * YC( VROCP5AROP ) * YC( NO )\n RXRAT( 484 ) = RKI( 484 ) * YC( VROCP5AROP ) * YC( NO3 )\n RXRAT( 485 ) = RKI( 485 ) * YC( VROCP5AROP ) * YC( MO2 )\n RXRAT( 486 ) = RKI( 486 ) * YC( VROCP5AROP ) * YC( ACO3 )\n RXRAT( 487 ) = RKI( 487 ) * YC( NAPH ) * YC( HO )\n RXRAT( 488 ) = RKI( 488 ) * YC( NAPHP ) * YC( HO2 )\n RXRAT( 489 ) = RKI( 489 ) * YC( NAPHP ) * YC( NO )\n RXRAT( 490 ) = RKI( 490 ) * YC( NAPHP ) * YC( NO3 )\n RXRAT( 491 ) = RKI( 491 ) * YC( NAPHP ) * YC( MO2 )\n RXRAT( 492 ) = RKI( 492 ) * YC( NAPHP ) * YC( ACO3 )\n RXRAT( 493 ) = RKI( 493 ) * YC( VROCN2OXY8 ) * YC( HO )\n RXRAT( 494 ) = RKI( 494 ) * YC( VROCN2OXY4 ) * YC( HO )\n RXRAT( 495 ) = RKI( 495 ) * YC( VROCN2OXY2 ) * YC( HO )\n RXRAT( 496 ) = RKI( 496 ) * YC( VROCN1OXY6 ) * YC( HO )\n RXRAT( 497 ) = RKI( 497 ) * YC( VROCN1OXY3 ) * YC( HO )\n RXRAT( 498 ) = RKI( 498 ) * YC( VROCN1OXY1 ) * YC( HO )\n RXRAT( 499 ) = RKI( 499 ) * YC( VROCP0OXY4 ) * YC( HO )\n RXRAT( 500 ) = RKI( 500 ) * YC( VROCP0OXY2 ) * YC( HO )\n RXRAT( 501 ) = RKI( 501 ) * YC( VROCP1OXY3 ) * YC( HO )\n RXRAT( 502 ) = RKI( 502 ) * YC( VROCP1OXY1 ) * YC( HO )\n RXRAT( 503 ) = RKI( 503 ) * YC( VROCP2OXY2 ) * YC( HO )\n RXRAT( 504 ) = RKI( 504 ) * YC( VROCP3OXY2 ) * YC( HO )\n RXRAT( 505 ) = RKI( 505 ) * YC( VROCP4OXY2 ) * YC( HO )\n RXRAT( 506 ) = RKI( 506 ) * YC( VROCP5OXY1 ) * YC( HO )\n RXRAT( 507 ) = RKI( 507 ) * YC( VROCP6OXY1 ) * YC( HO )\n RXRAT( 508 ) = RKI( 508 ) * YC( OP3 ) * YC( HO )\n\n\n RETURN\n\n END\n" }, { "path": "CCTM/src/gas/ebi_cracmm1_aq/hrsolver.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\n SUBROUTINE HRSOLVER( JDATE, JTIME, C, R, L )\n\n\nC**********************************************************************\nC\nC FUNCTION: EBI solver\nC\nC PRECONDITIONS: For the CRACMM1_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: HRRATES, HRG1, HRG2, HRG3\nC HRG4, HRPRODLOSS\nC DEGRADE\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 14, 2022\nC 21 Jun 10 J.Young: convert for Namelist redesign\nC 18 Jul 14 B.Hutzell: revised 1) to use the RXNS_DATA and RXNS_FUNCTION\nC modules instead of include files and 2) to use\nC real(8) variables\nC**********************************************************************\n\n USE RUNTIME_VARS\n USE UTILIO_DEFN\n USE RXNS_DATA\n USE HRDATA\n USE PA_IRR_MODULE\n#ifdef isam\n USE SA_IRR_DEFN\n#endif\n#ifdef sens\n USE DDM3D_CHEM, ONLY: YCDDM\n USE CGRID_SPCS, ONLY: GC_SPC\n#endif\n USE DEGRADE_ROUTINES, ONLY : DEGRADE, SA_DEGRADE_STEP\n\n\n IMPLICIT NONE\n\nC..INCLUDES:\n\n\nC..ARGUMENTS:\n INTEGER, INTENT( IN ) :: JDATE ! Current date (YYYYDDD)\n INTEGER, INTENT( IN ) :: JTIME ! Current time (HHMMSS)\n INTEGER, INTENT( IN ) :: C, R, L ! Cell col, row, lev\n\nC..PARAMETERS:\n INTEGER, PARAMETER :: MXBKUPS = 5 ! Max no. of back-ups allowed\n INTEGER, PARAMETER :: STAT = 1 ! Status code\n\n REAL( 8 ), PARAMETER :: DTMIN = 1.0D-08 ! Smallest time step allowed, min\n REAL( 8 ), PARAMETER :: EPSLON = 1.0D-30 ! Small number\n REAL( 8 ), PARAMETER :: MAXPRED = 1.0D+03 ! Upper limit on predicted conc\n REAL( 8 ), PARAMETER :: ZERO = 1.0D-40 ! effective zero\n REAL( 8 ), PARAMETER :: FLOOR = 1.0D-08 ! Min conc for RTOL\n\nC..EXTERNAL FUNCTIONS:\n\n\nC..SAVED LOCAL VARIABLES:\n CHARACTER( 16 ), SAVE :: PNAME = 'HRSOLVER' ! Program name\n LOGICAL, SAVE :: LFIRST = .TRUE. ! Flag for first call\n LOGICAL, ALLOCATABLE, SAVE :: LEBISPFL( : ) ! Convergence Error Flag for EBI species\n LOGICAL, ALLOCATABLE, SAVE :: MAXCONC ( : ) ! MAXCONC ERROR Flag for EBI species\n LOGICAL, ALLOCATABLE, SAVE :: NOTMAX ( : ) ! Initial concentration not greater than MAXPRED\n\n REAL( 8 ), ALLOCATABLE, SAVE :: RERROR ( : ) ! Relative Error\n REAL( 8 ), ALLOCATABLE, SAVE :: AERROR ( : ) ! Absolute Error\n\n\nC..SCRATCH LOCAL VARIABLES:\n\n CHARACTER( 132 ) :: MSG ! Message text\n\n INTEGER CELLNO ! Cell no. fo debug output\n INTEGER ITER ! Loop index for Backward Euler iterations\n INTEGER S ! Loop index for species\n INTEGER SP ! Imbedded loop index for species\n INTEGER NEBI ! Loop index for time steps\n INTEGER NINR ! No. of inner time steps\n#ifdef hrdebug\n INTEGER N ! Loop index\n#endif\n INTEGER M ! species index\n INTEGER EBI ! Loop index\n INTEGER NBKUPS ! No. of times time step reduced\n INTEGER ERR ! Allocate error flag\n\n\n LOGICAL LEBI_CONV ! Flag for EBI convergence\n LOGICAL MXFL ! hit MAXPRED flag\n\n REAL( 8 ) DTC ! Time step to take\n REAL( 8 ) DTG ! Time step in degrade routines, sec\n REAL( 8 ) FXDLOSS ! Total loss due to negative stoichiometry\n REAL( 8 ) VARLOSS ! Loss excluding negative stoichiometry\n\n\n#ifdef hrdebug\n CHARACTER( 8 ) :: NOTE ! Convergence fail note\n\n INTEGER COL ! Column to generate deboug output for\n INTEGER ROW ! Row to generate deboug output for\n INTEGER LEV ! Level to generate deboug output for\n INTEGER DBGOUT ! Output unit for debu outpt\n\n LOGICAL LDEBUG ! Debug output flag\n LOGICAL, SAVE :: LOPEN = .FALSE.\n#endif\n\n\nC**********************************************************************\n\n\n IF( LFIRST ) THEN\n LFIRST = .FALSE.\n\n ALLOCATE ( LEBISPFL( NUMB_MECH_SPC ), STAT = ERR )\n IF ( ERR .NE. 0 ) THEN\n MSG = 'Error allocating LEBISPFL'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n END IF\n\n ALLOCATE ( MAXCONC( NUMB_MECH_SPC ), STAT = ERR )\n IF ( ERR .NE. 0 ) THEN\n MSG = 'Error allocating MAXCONC'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n END IF\n\n ALLOCATE ( NOTMAX( NUMB_MECH_SPC ), STAT = ERR )\n IF ( ERR .NE. 0 ) THEN\n MSG = 'Error allocating NOTMAX'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n END IF\n\n ALLOCATE ( RERROR( NUMB_MECH_SPC ), STAT = ERR )\n IF ( ERR .NE. 0 ) THEN\n MSG = 'Error allocating ERROR'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n END IF\n\n ALLOCATE ( AERROR( NUMB_MECH_SPC ), STAT = ERR )\n IF ( ERR .NE. 0 ) THEN\n MSG = 'Error allocating AERROR'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n END IF\n\n END IF\n\n#ifdef sens\n YCDDM = 0.0D0\n#endif\n\nc++++++++++++++++++++++++Debug section++++++++++++++++++++++++++++++++++\n#ifdef hrdebug\n COL = 0\n ROW = 0\n LEV = 0\n IF( C .EQ. COL .AND. R .EQ. ROW .AND. L .EQ. LEV ) THEN\nc IF( JTIME .EQ. 160000 ) THEN\n LDEBUG = .TRUE.\n ELSE\n LDEBUG = .FALSE.\n END IF\n\n IF( LDEBUG ) THEN\n IF( .NOT. LOPEN ) THEN\n DBGOUT = JUNIT()\n OPEN( UNIT = DBGOUT, FILE = 'debug.out' )\n LOPEN = .TRUE.\n END IF\n\n WRITE( DBGOUT, '( A, 2I4, I3, 1X, I7, 1X, I6 ) ' )\n & 'Debug output for col/row/lev/date/time:',\n & C, R, L, JDATE, JTIME\n WRITE( DBGOUT, '( A, F7.2) ' )\n & 'EBI_TMSTEP = ', EBI_TMSTEP\n WRITE( DBGOUT, '( A )' ) 'Starting concs and rate constants'\n DO N = 1, NUMB_MECH_SPC\n WRITE( DBGOUT, '( A, I3, 1X, A, 1X, 1PD13.5 )' )\n & 'SP ',N, CHEMISTRY_SPC( N ), YC( N )\n END DO\n DO N = 1, N_RXNS\n WRITE( DBGOUT, '( A, I3, 1X, 1PD13.5 )' )\n & 'RKI ', N, RKI( N )\n END DO\n END IF\n#endif\nc++++++++++++++++++++++++Debug section++++++++++++++++++++++++++++++++++\n\n\n\n DTC = EBI_TMSTEP\n\n N_EBI_IT = 0\n NBKUPS = 0\n N_INR_STEPS = 1\n NEBI = 1\n LEBI_CONV = .TRUE.\n#ifdef isam\n UPDATE_SOLD = .FALSE.\n UPDATE_PROBABILITIES = .TRUE.\n CALL SA_IRR_UNBLOCKED ( .TRUE., RKI, YC, DTC )\n#endif\n\n\n DO S = 1, NUMB_MECH_SPC\n IF( YC( S ) .LE. MAXPRED )THEN\n NOTMAX( S ) = .TRUE.\n ELSE\n NOTMAX( S ) = .FALSE.\n WRITE(LOGDEV,91000)C, R, L, CHEMISTRY_SPC(S), YC(S)\n END IF\n END DO\n\n! Initial PA_IRR\n IF( CALL_IRR ) CALL PA_IRR ( .TRUE., RKI, YC, DTC )\n SA_DEGRADE_STEP = 0\n TSTEP_EBI: DO ! EBI time-step loop\n\n SUBSTEP_EBI: DO NINR = 1, N_INR_STEPS ! time substeps loop\n! first attempt is sub time-step equals EBI time-step\n\n IF( LEBI_CONV ) YC0 = YC ! Set ICs for EBI iterations\n\n ITER_SUBSTEP: DO ITER = 1, NEBITER ! iteration loop solving for sub time-step\n\n\n N_EBI_IT = N_EBI_IT + 1\n CALL HRRATES\n\nc++++++++++++++++++++++++Debug section++++++++++++++++++++++++++++++++++\n#ifdef hrdebug\n IF( LDEBUG ) THEN\n WRITE( DBGOUT, '( A, I5 )' ) 'ITER NO ', ITER\n WRITE( DBGOUT, '( A, F12.5 )' )\n & ' DTC=', DTC\n\n IF( ITER .EQ. 1 ) THEN\n WRITE( DBGOUT, '( A )' ) 'Starting reaction rates'\n DO N = 1, N_RXNS\n WRITE( DBGOUT, '( A, I3, 1X, 1PD13.5 )' )\n & 'RXRAT ', N, RXRAT( NCELL, N )\n END DO\n END IF\n END IF\n#endif\nc++++++++++++++++++++++++Debug section++++++++++++++++++++++++++++++++++\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Call routines to compute concentrations of groups 1-4\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n CALL HRG1( DTC )\n\n CALL HRG2( DTC )\n\n CALL HRG3( DTC )\n\n CALL HRG4( DTC )\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Do the Euler backward method\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n CALL HRPRODLOSS\n\n DO EBI = 1, N_EBISP\n S = EBISP( EBI )\n YCP( S ) = YC( S )*( ( YC0( S ) + PROD( S ) * DTC )\n & / ( YC( S ) + LOSS( S ) * DTC ) )\n END DO\n\n\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Check for convergence\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n LEBI_CONV = .TRUE.\n MXFL = .FALSE.\n\n DO S = 1, NUMB_MECH_SPC\n LEBISPFL( S ) = .FALSE.\n YCP( S ) = MAX( ZERO, YCP( S ) )\n AERROR( S ) = MAX( ABS( YC(S)-YCP(S) ), EPSLON )\n RERROR( S ) = AERROR( S ) / MAX( FLOOR, ABS( YC(S)+YCP(S) ) )\n IF( RERROR( S ) .GT. RTOL(S) .OR. AERROR( S ) .GT. 1.0D-5 )THEN\n LEBI_CONV = .FALSE.\n LEBISPFL( S ) = .TRUE.\n END IF\nc..test if predictions growing too large\n IF( YCP( S ) .GT. MAXPRED .AND. NOTMAX( S ) ) THEN\n MXFL = .TRUE.\n LEBI_CONV = .FALSE.\n LEBISPFL( S ) = .TRUE.\n END IF\n YC( S ) = YCP( S )\n END DO\nc..test if predictions growing too large, abort interation loop\n IF( MXFL ) EXIT ITER_SUBSTEP\n\nc++++++++++++++++++++++++Debug section++++++++++++++++++++++++++++++++++\n#ifdef hrdebug\n IF( LDEBUG ) THEN\n WRITE( DBGOUT, '( A, I5 )' ) 'Concs after ITER= ', ITER\n DO S = 1, NUMB_MECH_SPC\n\n IF( LEBISPFL( S ) ) THEN\n NOTE = 'CONV FAIL'\n ELSE\n NOTE = ' '\n END IF\n\n WRITE( DBGOUT, '( I3, 1X, A, 1PD13.5, 1X, A )' )\n & S, CHEMISTRY_SPC( S ), YC( S ), NOTE\n END DO\n IF( LEBI_CONV ) WRITE( DBGOUT, '( A )' )\n & '****Convergence achieved'\n END IF\n#endif\nc++++++++++++++++++++++++Debug section++++++++++++++++++++++++++++++++++\n\n IF( LEBI_CONV ) THEN\n\n DTG = 60.0D0 * DTC\n DO S = 1, NUMB_MECH_SPC\n M = CGRID_INDEX( S )\n YCCELL( M ) = YC( S )\n END DO\n#if defined(isam) || defined(verbose_isam)\n SA_DEGRADE_STEP = SA_DEGRADE_STEP + 1\n#endif\n IF( CALL_DEG )CALL DEGRADE(YCCELL, DTG, JDATE, JTIME) ! :WTH Call degradation routine\n\n IF( CALL_IRR ) CALL PA_IRR ( .FALSE., RKI, YC, DTC )\n#ifdef isam\n IF( NEBI .EQ. N_EBI_STEPS )UPDATE_SOLD = .TRUE.\n CALL SA_IRR_UNBLOCKED ( .FALSE., RKI, YC, DTC )\n UPDATE_PROBABILITIES = .FALSE.\n#endif\n\n#ifdef sens\nC Update the sum for the average over the chemistry integration\n YCDDM = YCDDM\n & + ( ( 0.5D0 * DTC ) * ( YC + YC0 ) )\n#endif\n\n CYCLE SUBSTEP_EBI ! solve for next sub time-step\n\n END IF\n\n END DO ITER_SUBSTEP\n! interating for substep failed, attempt to increase number of sub time-steps\n NBKUPS = NBKUPS + 1\n\n! IF( NBKUPS .LE. MXBKUPS ) THEN\n IF ( DTC .GT. DTMIN ) THEN\n! reset YC and cut sub time-step in half\n IF ( MXFL ) THEN\n WRITE( LOGDEV, 92008 ) NBKUPS\n WRITE( LOGDEV, 92009 ) C+PECOL_OFFSET, R+PEROW_OFFSET, L\n DO S = 1, NUMB_MECH_SPC\n IF( LEBISPFL( S ) )WRITE( LOGDEV, 92010 )TRIM( CHEMISTRY_SPC( S ) ),\n & YC0(S), YCP(S)\n END DO\n ELSE\n WRITE( LOGDEV, 92000 ) C+PECOL_OFFSET, R+PEROW_OFFSET, L, NBKUPS\n DO S = 1, NUMB_MECH_SPC\n IF( LEBISPFL( S ) )WRITE( LOGDEV, 92010 )TRIM( CHEMISTRY_SPC( S ) ),\n & YC0(S), YCP(S)\n END DO\n END IF\n\n YC = YC0 ! Set ICs for EBI time-step\n\n DTC = 0.5D0 * DTC\n\n N_INR_STEPS = 2 ** NBKUPS\n\n EXIT SUBSTEP_EBI\n\n ELSE\n\n WRITE( LOGDEV, 92040 ) C+PECOL_OFFSET, R+PEROW_OFFSET, L\n\n WRITE( LOGDEV, 92060 )\n DO S = 1, NUMB_MECH_SPC\n IF( LEBISPFL( S ) ) WRITE( LOGDEV, 92080 ) CHEMISTRY_SPC( S ),\n & YC0(S), YCP(S)\n END DO\n\n MSG = 'ERROR: Stopping because of EBI convergence failures'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT2 )\n\n END IF\n\n END DO SUBSTEP_EBI\n\n IF( LEBI_CONV )THEN\n NEBI = 1 + NEBI\n! test for completing final EBI time-step\n IF( NEBI .GT. N_EBI_STEPS )EXIT TSTEP_EBI\n! test whether backups were done\n IF( NBKUPS .EQ. 0 )CYCLE TSTEP_EBI\n! Reset NBKUPS, N_INR_STEPS and sub-time step\n NBKUPS = 0\n N_INR_STEPS = 1\n DTC = EBI_TMSTEP\n END IF\n\n END DO TSTEP_EBI\n\n#ifdef sens\n! Compute average over integration and filter values\n YCDDM = YCDDM / CHEMSTEP\n WHERE ( YCDDM .LT. 1.0D-25 ) YCDDM = 0.0D0\n#endif\n\n\n RETURN\n\n\n91000 FORMAT( 'WARNING: EBI solver in cell (',2(I4,','),I4,') Init.Conc. for ',\n & A16, ' = ', ES12.4,' ppmV')\n\n92000 FORMAT( 'WARNING: EBI Euler convergence failure' /\n & ' Reducing EBI time step because of ',\n & ' convergence failure in ' /\n & ' Cell (', I3, ', ', I3, ', ', I3, ')' ,\n & ' Solution Attempt #', I2 /\n & ' Below Species Causing Error: Init.Conc, Pred.Conc.' )\n\n92008 FORMAT( 'WARNING: At solution attempt #', I2 )\n92009 FORMAT( 'WARNING: EBI Euler convergence failure' /\n & ' Reducing EBI time step because of ',\n & ' MAXPRED failure in ' /\n & ' Cell (', I3, ', ', I3, ', ', I3, ')' ,\n & ' for the below species: : Init.Conc, Pred.Conc.')\n92010 FORMAT( A16, 2(1X,ES12.4), ' ppmV' )\n\n92040 FORMAT( 'ERROR: Max number of EBI time step reductions exceeded'\n & / ' Convergence failure for cell (', I3, ', ', I3,\n & ', ', I3, ')' )\n\n92060 FORMAT( ' Convergence failure for the following species:',\n & 'Init.Conc, Pred.Conc.' )\n\n92080 FORMAT( 10X, A, 2(1X,ES12.4), ' ppmV ' )\n\n92061 FORMAT( ' Convergence failure for the following species:',\n & 'Init.Conc, Pred.Conc.,Rel.Error,' )\n\n92081 FORMAT( 10X, A, 2(1X,ES12.4), ' ppmV ', ES12.4,'%' )\n\n END\n" }, { "path": "CCTM/src/gas/ebi_cracmm1amore_aq/hrdata_mod.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n MODULE HRDATA\n\nC*************************************************************************\nC\nC FUNCTION: Mechanism & solver data for EBI solver\nC\nC PRECONDITIONS: For the CRACMM1AMORE_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 16, 2022\nC\nC 18 Jul 14 B.Hutzell: revised to use real(8) variables for solution\nC*************************************************************************\n\nc..EBI solver fixed parameters\n INTEGER, PARAMETER :: NEBITER = 1000 ! No. of iterations for EBI\n INTEGER, PARAMETER :: MAX_CELLS_EBI = 1 ! max # cells in local conc arrays\n REAL( 8 ), PARAMETER :: DELTAT = 2.500D+00 ! EBI time step (min)\n\nc..Mechanism specific variables\n INTEGER N_SPEC ! No. of species in mechanism\n INTEGER N_RXNS ! No. of reactions in mechanism\n INTEGER N_EBISP ! No. of species solved by EBI\n INTEGER NING1 ! No. of species in group 1\n INTEGER NING2 ! No. of species in group 2\n INTEGER N_SPCL_RKS ! No. of special rate constants\n INTEGER N_ACTSP ! No. of species in mechanism (non-ss spec)\n INTEGER NCELL ! cell number in EBI Block\n\nc..Control flags\n LOGICAL L_AE_VRSN ! Flag for aerosol version of mech\n LOGICAL L_AQ_VRSN ! Flag for aqueous chemistry version of mech\n LOGICAL CALL_IRR ! Flag initializing for IRR and calling PA_IRR\n\n ! SWITCH for calling DEGRADE routine\n LOGICAL, SAVE :: CALL_DEG = .TRUE.\n\nc..Miscellaneous variables\n INTEGER N_EBI_IT ! No. of iterations for EBI\n INTEGER N_EBI_STEPS ! No. of time steps for EBI\n INTEGER N_INR_STEPS ! No. of inner time steps for EBI\n INTEGER PECOL_OFFSET ! Local Column Offset for processor\n INTEGER PEROW_OFFSET ! Local Column Offset for processor\n \n INTEGER, SAVE :: MODEL_SPECIES ! No. of species in CGRID\n\n REAL( 8 ) EBI_TMSTEP ! Time step for EBI loops (min)\n REAL( 8 ) CHEMSTEP ! Chemistry integration interval (min)\n\nc...Allocatable arrays\n INTEGER, ALLOCATABLE :: EBISP( : ) ! Index of EBI species\n INTEGER, ALLOCATABLE :: SSASP( : ) ! Index of ss species\n INTEGER, ALLOCATABLE :: ACTSP( : ) ! Index of active species\n INTEGER, ALLOCATABLE :: IOLD2NEW( :,: ) ! YC species map, used if NSPECIAL > 0\n\n REAL( 8 ), ALLOCATABLE :: RKI( : ) ! Rate constants\n REAL( 8 ), ALLOCATABLE :: RKI_SAV( :, : ) ! Saved values of RKI for SS species calcs\n\n REAL( 8 ), ALLOCATABLE :: YC ( : ) ! Species concentrations\n REAL( 8 ), ALLOCATABLE :: YC0( : ) ! Species concentrations\n REAL( 8 ), ALLOCATABLE :: YCP( : ) ! Species concentrations\n REAL( 8 ), ALLOCATABLE :: SYC( :, : ) ! Species concentrations\n\n REAL, ALLOCATABLE :: FORWARD_CONV( : ) ! CGRID to CHEM Species conversion factor\n REAL, ALLOCATABLE :: REVERSE_CONV( : ) ! CHEM to CGRID Species conversion factor\n\n REAL( 8 ), ALLOCATABLE :: RXRAT( : ) ! Reaction rates\n REAL( 8 ), ALLOCATABLE :: RTOL( : ) ! Species tolerances\n REAL( 8 ), ALLOCATABLE :: YCCELL( : ) ! ALL Species in cgrid\n REAL( 8 ), ALLOCATABLE :: PROD( : ) ! Prod of species\n REAL( 8 ), ALLOCATABLE :: LOSS( : ) ! Loss of species\n\n REAL, ALLOCATABLE :: PRES( :, :, : ) ! pressure (Pa)\n REAL, ALLOCATABLE :: QV ( :, :, : ) ! water vapor (Kg/Kg air)\n REAL, ALLOCATABLE :: TA ( :, :, : ) ! temperature (K)\n\n REAL, ALLOCATABLE :: SEAICE ( :, :) ! fractional seaice cover, [-]\n REAL, ALLOCATABLE :: DENS( :, :, : ) ! mass density (Kg/m^3)\n\n REAL, ALLOCATABLE :: SEAWATER_ZONE ( :,: ) ! fractional area of OPEN+SURF\n LOGICAL, ALLOCATABLE :: LFLAGIRR ( :,:,: ) ! Conduct IRR for cell\n\n REAL( 8 ), ALLOCATABLE :: ATMPRES ( : ) ! Cell pressure, Atm\n! REAL( 8 ), ALLOCATABLE :: PRESCELL( : ) ! Cell pressure, Pa\n REAL( 8 ), ALLOCATABLE :: H2O ( : ) ! Cell H2O mixing ratio (ppmV)\n REAL( 8 ), ALLOCATABLE :: TEMP ( : ) ! Cell Temperature\n REAL( 8 ), ALLOCATABLE :: DENSITY ( : ) ! Cell mass density (Kg/m3)\n REAL( 8 ), ALLOCATABLE :: HET ( :, : ) ! cell heterogeneous reaction rates\n REAL( 8 ), ALLOCATABLE :: RJIN ( :, : ) ! J-values for a cell\n REAL( 8 ), ALLOCATABLE :: SEAWATER ( : ) ! fractional area of OPEN+SURF for specific cell\n\nc..Species indices\n INTEGER, PARAMETER :: O3 = 1\n INTEGER, PARAMETER :: O3P = 2\n INTEGER, PARAMETER :: O1D = 3\n INTEGER, PARAMETER :: H2O2 = 4\n INTEGER, PARAMETER :: HO = 5\n INTEGER, PARAMETER :: NO2 = 6\n INTEGER, PARAMETER :: NO = 7\n INTEGER, PARAMETER :: NO3 = 8\n INTEGER, PARAMETER :: HONO = 9\n INTEGER, PARAMETER :: HNO3 = 10\n INTEGER, PARAMETER :: HNO4 = 11\n INTEGER, PARAMETER :: HO2 = 12\n INTEGER, PARAMETER :: HCHO = 13\n INTEGER, PARAMETER :: CO = 14\n INTEGER, PARAMETER :: ACD = 15\n INTEGER, PARAMETER :: MO2 = 16\n INTEGER, PARAMETER :: ALD = 17\n INTEGER, PARAMETER :: ETHP = 18\n INTEGER, PARAMETER :: ACT = 19\n INTEGER, PARAMETER :: ACO3 = 20\n INTEGER, PARAMETER :: UALD = 21\n INTEGER, PARAMETER :: KET = 22\n INTEGER, PARAMETER :: PINAL = 23\n INTEGER, PARAMETER :: HC10P = 24\n INTEGER, PARAMETER :: LIMAL = 25\n INTEGER, PARAMETER :: MEK = 26\n INTEGER, PARAMETER :: HKET = 27\n INTEGER, PARAMETER :: MACR = 28\n INTEGER, PARAMETER :: MACP = 29\n INTEGER, PARAMETER :: XO2 = 30\n INTEGER, PARAMETER :: MVK = 31\n INTEGER, PARAMETER :: GLY = 32\n INTEGER, PARAMETER :: MGLY = 33\n INTEGER, PARAMETER :: DCB1 = 34\n INTEGER, PARAMETER :: DCB2 = 35\n INTEGER, PARAMETER :: BALD = 36\n INTEGER, PARAMETER :: CHO = 37\n INTEGER, PARAMETER :: OP1 = 38\n INTEGER, PARAMETER :: OP2 = 39\n INTEGER, PARAMETER :: OPB = 40\n INTEGER, PARAMETER :: OP3 = 41\n INTEGER, PARAMETER :: PAA = 42\n INTEGER, PARAMETER :: ONIT = 43\n INTEGER, PARAMETER :: PAN = 44\n INTEGER, PARAMETER :: N2O5 = 45\n INTEGER, PARAMETER :: SO2 = 46\n INTEGER, PARAMETER :: SULF = 47\n INTEGER, PARAMETER :: SULRXN = 48\n INTEGER, PARAMETER :: ETH = 49\n INTEGER, PARAMETER :: HC3 = 50\n INTEGER, PARAMETER :: HC3P = 51\n INTEGER, PARAMETER :: ASOATJ = 52\n INTEGER, PARAMETER :: HC5 = 53\n INTEGER, PARAMETER :: HC5P = 54\n INTEGER, PARAMETER :: ETE = 55\n INTEGER, PARAMETER :: ETEP = 56\n INTEGER, PARAMETER :: OLT = 57\n INTEGER, PARAMETER :: OLTP = 58\n INTEGER, PARAMETER :: OLI = 59\n INTEGER, PARAMETER :: OLIP = 60\n INTEGER, PARAMETER :: ACE = 61\n INTEGER, PARAMETER :: ORA1 = 62\n INTEGER, PARAMETER :: BEN = 63\n INTEGER, PARAMETER :: BENP = 64\n INTEGER, PARAMETER :: PHEN = 65\n INTEGER, PARAMETER :: TOL = 66\n INTEGER, PARAMETER :: TOLP = 67\n INTEGER, PARAMETER :: CSL = 68\n INTEGER, PARAMETER :: XYM = 69\n INTEGER, PARAMETER :: XYMP = 70\n INTEGER, PARAMETER :: XYE = 71\n INTEGER, PARAMETER :: XYEP = 72\n INTEGER, PARAMETER :: ISO = 73\n INTEGER, PARAMETER :: INO2 = 74\n INTEGER, PARAMETER :: NALD = 75\n INTEGER, PARAMETER :: ISOP = 76\n INTEGER, PARAMETER :: ISHP = 77\n INTEGER, PARAMETER :: ISON = 78\n INTEGER, PARAMETER :: IPN = 79\n INTEGER, PARAMETER :: IEPOX = 80\n INTEGER, PARAMETER :: IPC = 81\n INTEGER, PARAMETER :: ROH = 82\n INTEGER, PARAMETER :: API = 83\n INTEGER, PARAMETER :: APIP1 = 84\n INTEGER, PARAMETER :: APIP2 = 85\n INTEGER, PARAMETER :: LIM = 86\n INTEGER, PARAMETER :: LIMP1 = 87\n INTEGER, PARAMETER :: LIMP2 = 88\n INTEGER, PARAMETER :: PINALP = 89\n INTEGER, PARAMETER :: RCO3 = 90\n INTEGER, PARAMETER :: LIMALP = 91\n INTEGER, PARAMETER :: ACTP = 92\n INTEGER, PARAMETER :: MEKP = 93\n INTEGER, PARAMETER :: KETP = 94\n INTEGER, PARAMETER :: MCP = 95\n INTEGER, PARAMETER :: MVKP = 96\n INTEGER, PARAMETER :: UALP = 97\n INTEGER, PARAMETER :: DCB3 = 98\n INTEGER, PARAMETER :: BALP = 99\n INTEGER, PARAMETER :: ADDC = 100\n INTEGER, PARAMETER :: MCT = 101\n INTEGER, PARAMETER :: MCTO = 102\n INTEGER, PARAMETER :: MOH = 103\n INTEGER, PARAMETER :: EOH = 104\n INTEGER, PARAMETER :: ETEG = 105\n INTEGER, PARAMETER :: MAHP = 106\n INTEGER, PARAMETER :: ORA2 = 107\n INTEGER, PARAMETER :: ORAP = 108\n INTEGER, PARAMETER :: PPN = 109\n INTEGER, PARAMETER :: MPAN = 110\n INTEGER, PARAMETER :: TRPN = 111\n INTEGER, PARAMETER :: HOM = 112\n INTEGER, PARAMETER :: MCTP = 113\n INTEGER, PARAMETER :: OLNN = 114\n INTEGER, PARAMETER :: OLND = 115\n INTEGER, PARAMETER :: APINP1 = 116\n INTEGER, PARAMETER :: APINP2 = 117\n INTEGER, PARAMETER :: LIMNP1 = 118\n INTEGER, PARAMETER :: LIMNP2 = 119\n INTEGER, PARAMETER :: ADCN = 120\n INTEGER, PARAMETER :: VROCP4OXY2 = 121\n INTEGER, PARAMETER :: VROCN1OXY6 = 122\n INTEGER, PARAMETER :: FURANONE = 123\n INTEGER, PARAMETER :: VROCP3OXY2 = 124\n INTEGER, PARAMETER :: VROCP0OXY4 = 125\n INTEGER, PARAMETER :: BAL1 = 126\n INTEGER, PARAMETER :: BAL2 = 127\n INTEGER, PARAMETER :: ELHOM = 128\n INTEGER, PARAMETER :: VROCIOXY = 129\n INTEGER, PARAMETER :: SLOWROC = 130\n INTEGER, PARAMETER :: ACRO = 131\n INTEGER, PARAMETER :: BDE13 = 132\n INTEGER, PARAMETER :: BDE13P = 133\n INTEGER, PARAMETER :: FURAN = 134\n INTEGER, PARAMETER :: FURANO2 = 135\n INTEGER, PARAMETER :: PROG = 136\n INTEGER, PARAMETER :: SESQ = 137\n INTEGER, PARAMETER :: SESQNRO2 = 138\n INTEGER, PARAMETER :: VROCN2OXY2 = 139\n INTEGER, PARAMETER :: SESQRO2 = 140\n INTEGER, PARAMETER :: VROCP0OXY2 = 141\n INTEGER, PARAMETER :: VROCP1OXY3 = 142\n INTEGER, PARAMETER :: AGLYJ = 143\n INTEGER, PARAMETER :: IEPOXP = 144\n INTEGER, PARAMETER :: AISO3NOSJ = 145\n INTEGER, PARAMETER :: ASO4J = 146\n INTEGER, PARAMETER :: AISO3OSJ = 147\n INTEGER, PARAMETER :: VROCP6ALK = 148\n INTEGER, PARAMETER :: VROCP6ALKP = 149\n INTEGER, PARAMETER :: VROCP5ALK = 150\n INTEGER, PARAMETER :: VROCP5ALKP = 151\n INTEGER, PARAMETER :: VROCP4ALK = 152\n INTEGER, PARAMETER :: VROCP4ALKP = 153\n INTEGER, PARAMETER :: VROCP3ALK = 154\n INTEGER, PARAMETER :: VROCP3ALKP = 155\n INTEGER, PARAMETER :: VROCP2ALK = 156\n INTEGER, PARAMETER :: VROCP2ALKP = 157\n INTEGER, PARAMETER :: VROCP1ALK = 158\n INTEGER, PARAMETER :: VROCP1ALKP = 159\n INTEGER, PARAMETER :: HC10 = 160\n INTEGER, PARAMETER :: VROCP6ALKP2 = 161\n INTEGER, PARAMETER :: VROCP5ALKP2 = 162\n INTEGER, PARAMETER :: VROCP4ALKP2 = 163\n INTEGER, PARAMETER :: VROCP2OXY2 = 164\n INTEGER, PARAMETER :: VROCP3ALKP2 = 165\n INTEGER, PARAMETER :: VROCP1OXY1 = 166\n INTEGER, PARAMETER :: VROCP2ALKP2 = 167\n INTEGER, PARAMETER :: VROCP1ALKP2 = 168\n INTEGER, PARAMETER :: VROCN1OXY1 = 169\n INTEGER, PARAMETER :: HC10P2 = 170\n INTEGER, PARAMETER :: VROCP6ARO = 171\n INTEGER, PARAMETER :: VROCP6AROP = 172\n INTEGER, PARAMETER :: VROCN2OXY4 = 173\n INTEGER, PARAMETER :: VROCN1OXY3 = 174\n INTEGER, PARAMETER :: VROCP5ARO = 175\n INTEGER, PARAMETER :: VROCP5AROP = 176\n INTEGER, PARAMETER :: NAPH = 177\n INTEGER, PARAMETER :: NAPHP = 178\n INTEGER, PARAMETER :: VROCN2OXY8 = 179\n INTEGER, PARAMETER :: VROCP5OXY1 = 180\n INTEGER, PARAMETER :: VROCP6OXY1 = 181\n\n END MODULE HRDATA\n" }, { "path": "CCTM/src/gas/ebi_cracmm1amore_aq/hrdriver.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE CHEM( CGRID, JDATE, JTIME, TSTEP )\nC**********************************************************************\nC\nC FUNCTION: Driver subroutine for Euler Backward Iterative solver\nC\nC PRECONDITIONS: For the CRACMM1AMORE_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: HRINIT, HRCALCKS, HRSOLVER\nC FIND_DEGRADED, INIT_DEGRADE, FINAL_DEGRADE\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 16, 2022\nC Based on the algorithm in \"Test of Two Numerical\nC Schemes for Use in Atmospheric Transport-Chemistry\nC Models\", O. Hertel, R. Berkowicz, J. Christensen,\nC and O. Hov, Atm Env., Vol. 27A, No. 16, 1993.\nC Original MEBI code developed by Ho-Chun Huang,\nC SUNY, Albany -- \"On the performance of numerical\nC solvers for a chemistry submodel in three-dimensional\nC air quality models 1. Box model simulations\",\nC H. Huang and J.S. Chang, JGR, Vol 106, No. D17, 2001.\nC This version replaces Huang and Chang use of numerical\nC solutions with analytical solutions derived in\nC Hertel et al.\nC 21 Jun 10 J.Young: convert for Namelist redesign\nC 11 May 11 D.Wong: incorporated twoway model implementation\nC 27 Sep 11 B.Hutzell: revised method for defining CALL_DEG variable\nC 18 Jul 14 B.Hutzell: revised: 1) to use the RXNS_DATA and RXNS_FUNCTION\nC modules instead of include files, 2) to enable\nC reactions between species types, 3) to calculate\nC heterogeneous rate constants via AEROSOL_CHEMISTRY\nC module, 4) to replace call to HRCALCKS with\nC subroutine in RXNS_FUNCTION module and 5) to change\nC how degrade routines are used, if present\nC 02 Dec 14 B.Hutzell: 1) added terrestrial data to conduct surface\nC dependent reactions and 2) modified the call CALC_RCONST\nC routine\nC 01 Feb 19 D.Wong: Implemented centralized I/O approach, removed all MY_N\nC clauses\nC**********************************************************************\n\n USE HGRD_DEFN ! horizontal domain specifications\n USE VGRD_DEFN ! vertical layer specifications\n USE CGRID_SPCS ! CGRID mechanism species\n USE UTILIO_DEFN ! IOAPI parameters and functions declarations\n USE RXNS_DATA\n USE AEROSOL_CHEMISTRY\n USE RXNS_FUNCTION\n#ifdef isam\n USE SA_IRR_DEFN\n USE SA_DEFN\n#endif\n USE HRDATA\n USE PHOT_MOD, Only: INIT_PHOT_SHARED, RJ ! photolysis rate, in-line module\n USE PA_DEFN, Only: LIRR ! Process Analysis control and data variable\n USE PA_IRR_CLT\n#ifndef isam\n USE DEGRADE_ROUTINES, ONLY : N_REACT, RXTANT_MAP, DEG_LAY, DEG_COL, DEG_ROW,\n & FIND_DEGRADED, INIT_DEGRADE, FINAL_DEGRADE\n#else\n USE DEGRADE_ROUTINES, ONLY : N_REACT, RXTANT_MAP, SA_DEGRADE_EXTRACT,\n & FIND_DEGRADED, INIT_DEGRADE, FINAL_DEGRADE,\n & SA_DEGRADE_UPLOAD, DEG_LAY, DEG_COL, DEG_ROW\n#endif\n USE CENTRALIZED_IO_MODULE, ONLY : INTERPOLATE_VAR, OCEAN, SZONE\n#ifdef sens\n USE DDM3D_CHEM\n Use DDM3D_DEFN, Only: DATENUM, STARTDATE, IPT, IDATE, HIGH, NP, NPMAX, CKTIME\n#endif\n\n IMPLICIT NONE\n\nC..Includes:\n INCLUDE SUBST_FILES_ID ! CMAQ files\n INCLUDE SUBST_CONST ! CMAQ constants\n\n INCLUDE SUBST_EMISPRM ! Emissions processing control parameters\n\nC..Arguments:\n REAL, POINTER :: CGRID( :,:,:,: ) ! Species concentrations\n INTEGER JDATE ! Current date (YYYYDDD)\n INTEGER JTIME ! Current time (HHMMSS)\n INTEGER TSTEP( 3 ) ! Time step vector (HHMMSS)\n\nC..Parameters:\n REAL( 8 ), PARAMETER :: DCONMIN = 1.0D-30 ! minimum species concentration allowed\n REAL, PARAMETER :: CONCMIN = 1.0E-30 ! minimum species concentration allowed\n REAL, PARAMETER :: MAOMV = 1.0E6 * MWAIR / MWWAT ! Mol Wt of air over Mol Wt of water times 1.0E6\n\nC..External Functions:\n\n\nC..Saved Local Variables:\n\n CHARACTER( 16 ), SAVE :: PNAME = 'HRDRIVER' ! Program name\n\n INTEGER, SAVE :: ISTFL ! Unit no. of iteration stat output file\n LOGICAL, SAVE :: LFIRST = .TRUE. ! Flag for first call to this subroutine\n\n REAL( 8 ), SAVE :: PA2ATM ! Pascal to atm conv fac\n\nC..Scratch Local Variables:\n CHARACTER( 132 ) :: MSG ! Message text\n CHARACTER( 16 ) :: VNAME ! Name of I/O API data variable\n\n INTEGER C, E, L, R, S ! Loop indices\n INTEGER ISP ! array index\n\n INTEGER AVGEBI ! Average no. of EBI iterations\n INTEGER DELT_SEC ! EBI max time step in seconds\n INTEGER ESP ! Loop index for emissions species\n INTEGER ITMSTEP ! Chemistry integration interval (sec)\n INTEGER LEV ! Layer index\n INTEGER MIDDATE ! Date at time step midpoint\n INTEGER MIDTIME ! Time at time step midpoint\n INTEGER NPH ! Index for number of phot. rxns in PHOT\n INTEGER SPC ! Species loop index\n#ifdef hrstats\n INTEGER MNEBI ! Min no. of EBI iterations\n INTEGER MXEBI ! Max no. of EBI iterations\n#endif\n\n LOGICAL LSUNLIGHT ! Flag for sunlight\n\n REAL INV_DENS ! reciprocal of air mass density, m3/Kg\n#ifdef hrstats\n REAL SUMEBI ! Sum of EBI iterations\n#endif\n\n INTERFACE\n SUBROUTINE HRSOLVER( JDATE, JTIME, C, R, L )\n INTEGER, INTENT( IN ) :: JDATE ! Current date (YYYYDDD)\n INTEGER, INTENT( IN ) :: JTIME ! Current time (HHMMSS)\n INTEGER, INTENT( IN ) :: C, R, L ! Cell col, row, lev\n END SUBROUTINE HRSOLVER\n SUBROUTINE HETCHEM_UPDATE_AERO( CGRID )\n REAL, POINTER :: CGRID( :,:,:,: ) ! species concentration in cell\n END SUBROUTINE HETCHEM_UPDATE_AERO\n END INTERFACE\n\nC**********************************************************************\n\n IF( NUMB_MECH_SPC .EQ. 0 ) RETURN\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc On first call, call routines to set-up for EBI solver\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF( LFIRST ) THEN\n\n IF( MECHNAME .NE. 'CRACMM1AMORE_AQ' ) THEN\n MSG = 'This version of the EBI solver can only be used with'\n & // ' the CRACMM1AMORE_AQ chemical mechanism'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n#ifdef emis_chem\n EMISVD = .FALSE.\n#else\n EMISVD = .TRUE.\n#endif\n\n IF( INDEX( MECHNAME, 'AE' ) .NE. 0 ) THEN\n L_AE_VRSN = .TRUE.\n ELSE\n L_AE_VRSN = .FALSE.\n END IF\n\n IF( INDEX( MECHNAME, 'AQ' ) .NE. 0 ) THEN\n L_AQ_VRSN = .TRUE.\n ELSE\n L_AQ_VRSN = .FALSE.\n END IF\n\n IF( LIRR ) THEN\n CALL_IRR = .TRUE.\n ELSE\n CALL_IRR = .FALSE.\n END IF\n\n MODEL_SPECIES = NSPCSD ! WTH: find number of model species\n\n! Determine whether DEGRADE rountines are needed.\n\n CALL FIND_DEGRADED( JDATE, JTIME, CALL_DEG )\n IF( CALL_DEG )THEN\n WRITE(LOGDEV,*)'TX DEGRADE ROUTINES USED'\n WRITE(LOGDEV,*)'Mechanism contains degraded species'\n#ifdef verbose_gas\n ELSE\n WRITE(LOGDEV,*)'TX DEGRADE ROUTINES OMITTED'\n WRITE(LOGDEV,*)'MECHANISM does not include degraded species'\n#endif\n END IF\n\n CALL HRINIT\n\n ITMSTEP = TIME2SEC( TSTEP( 2 ) )\n CHEMSTEP = REAL( ITMSTEP, 8 ) / 60.0D0\n WRITE( LOGDEV, 92000 ) CHEMSTEP, DELTAT\n\n WRITE( LOGDEV, 92020 )\n DO SPC = 1, NUMB_MECH_SPC\n WRITE( LOGDEV, 92040 ) CHEMISTRY_SPC( SPC ), RTOL( SPC )\n END DO\n\n PA2ATM = REAL( 1.0 / STDATMPA, 8)\n\nc..If emissions processing requested stop\n IF( .NOT. EMISVD ) THEN ! assumes emis processing in gas chem\n\n MSG = 'ERROR: EBI solver not configured to '//\n & 'process emissions in chemistry'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n\n END IF ! End if doing emissions\n\n\n#ifdef hrstats\n ISTFL = JUNIT()\n OPEN( UNIT=ISTFL, FILE='iterstat.dat' )\n WRITE( ISTFL, 94020 )\n#endif\nC Define processor offsets\n\n PECOL_OFFSET = COLSD_PE( 1, MYPE+1 ) - 1\n PEROW_OFFSET = ROWSD_PE( 1, MYPE+1 ) - 1\n\n ALLOCATE( SEAWATER_ZONE( NCOLS, NROWS ) )\n DO R = 1, NROWS\n DO C = 1, NCOLS\n SEAWATER_ZONE( C,R ) = OCEAN( C,R ) + SZONE( C,R )\n END DO\n END DO\n\n ALLOCATE( DENS( NCOLS, NROWS, NLAYS ), PRES( NCOLS, NROWS, NLAYS ),\n & QV ( NCOLS, NROWS, NLAYS ), TA ( NCOLS, NROWS, NLAYS ),\n & SEAICE( NCOLS, NROWS ) )\n\nC..Initialize shared photolysis data\n CALL INIT_PHOT_SHARED()\n\nC..Determine which cells need IRR\n ALLOCATE( LFLAGIRR ( NCOLS, NROWS, NLAYS ) )\n CALL PA_IRR_CKCELLS ( LFLAGIRR )\n\n#ifdef isam\n NUMB_ISAM_CELLS = 1.0D0 / ( NCOLS * NROWS * NLAYS )\n CALL SA_IRR_INIT\n#endif\n\n#ifdef sens\n CALL INIT_DDM3D_CHEM()\n\nC For higher order sensitivities\n IF ( HIGH ) THEN\n DO RXN = 1, NRXNS\n IF( NREACT( RXN ) .EQ. 1 ) THEN\n ORDER1( RXN ) = .TRUE.\n ELSE\n ORDER1( RXN ) = .FALSE.\n END IF\n END DO\n END IF\n#endif\n\n LFIRST = .FALSE.\n\n END IF ! First time\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC Set date and time to center of time step, get necessary physical\nC data\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n MIDDATE = JDATE\n MIDTIME = JTIME\n ITMSTEP = TIME2SEC( TSTEP( 2 ) )\n CHEMSTEP = REAL( ITMSTEP, 8 ) / 60.0D0\n CALL NEXTIME( MIDDATE, MIDTIME, SEC2TIME( ITMSTEP / 2 ) )\n\nC.. Compute number of time step loops and step size for EBI solver\n DELT_SEC = INT( DELTAT * 60.0D0 + 0.1D0 )\n IF( DELT_SEC .GE. ITMSTEP ) THEN\n N_EBI_STEPS = 2\n EBI_TMSTEP = 0.5D0 * CHEMSTEP\n ELSE\n IF( MOD( ITMSTEP, DELT_SEC ) .EQ. 0 ) THEN\n N_EBI_STEPS = ITMSTEP / DELT_SEC\n ELSE\n N_EBI_STEPS = ITMSTEP / DELT_SEC + 1\n END IF\n EBI_TMSTEP = CHEMSTEP / REAL( N_EBI_STEPS, 8 )\n END IF\n\n N_INR_STEPS = 1\n\n\nC.. Get fractional seaice coverage from the METCRO2D file.\n\n CALL INTERPOLATE_VAR ('SEAICE', MIDDATE, MIDTIME, SEAICE)\n\nC.. Get ambient temperature in K\n\n CALL INTERPOLATE_VAR ('TA', MIDDATE, MIDTIME, TA)\n\nC.. Get specific humidity in Kg H2O / Kg air\n CALL INTERPOLATE_VAR ('QV', MIDDATE, MIDTIME, QV)\n\n! Get ambient MASS DENSITY in Kg/m^3\n CALL INTERPOLATE_VAR ('DENS', MIDDATE, MIDTIME, DENS)\n\nC.. Get pressure in Pascals\n CALL INTERPOLATE_VAR ('PRES', MIDDATE, MIDTIME, PRES)\n\nC.. Get Heteorogeneous rates and Update Aerosol Distribution Properties\n CALL HETCHEM_RATES( TA, PRES, QV, CGRID, DENS )\n\n#ifdef sens\n DATENUM = 1 + JDATE - STARTDATE ! Set the date and hour counters used in sensitivity calls\n\nC For reaction rate sensitivities\n DO NP = 1, NPMAX\n IF ( IPT( NP ) .EQ. 5 ) THEN\n CALL CKTIME( JDATE,JTIME,NP,RXNFLAG(NP) ) ! Rxnflag set to true iff ipt=5 and time, date within bounds\n IF ( IDATE( NP, DATENUM ) .NE. 1 ) RXNFLAG( NP ) = .FALSE.\n ELSE\n RXNFLAG( NP ) = .FALSE.\n END IF\n END DO\n\n#endif sens\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Top of loop over cells\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n#ifdef hrstats\n MNEBI = 1000\n MXEBI = 0\n SUMEBI = 0.0\n#endif\n\n NCELL = 1\n\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n\n DEG_LAY = L\n DEG_ROW = R\n DEG_COL = C\n\nc..reset CALL_IRR based on cell's values\n CALL_IRR = LFLAGIRR( C,R,L )\n\nc..Load ICs\n INV_DENS = 1.0 / DENS( C,R,L )\n DO SPC = 1, NUMB_MECH_SPC\n S = CGRID_INDEX( SPC )\n IF( CONVERT_CONC( SPC ) )THEN\n YC( SPC ) = REAL( MAX( CONCMIN,\n & INV_DENS*FORWARD_CONV( SPC )*CGRID( C,R,L,S )), 8 )\n ELSE\n YC( SPC ) = REAL( MAX( CGRID( C,R,L,S ), CONCMIN), 8 )\n END IF\n END DO\n\n IF(CALL_DEG)THEN ! INITIALIZE degradation routines\n\n YCCELL = 0.0D0\n DO S = 1, MODEL_SPECIES\n YCCELL( S ) = REAL( CGRID(C,R,L,S), 8)\n END DO\n CALL INIT_DEGRADE(YCCELL,TA(C,R,L),DENS(C,R,L),PRES(C,R,L),QV(C,R,L),RJIN(NCELL,:),\n & JDATE, JTIME)\n\n#ifdef isam\n CALL SA_DEGRADE_EXTRACT( C,R,L,DENS(C,R,L) )\n#endif\n END IF\n\nc..Set physical quantities\n TEMP( NCELL ) = REAL( TA( C,R,L ), 8)\n DENSITY( NCELL ) = REAL( DENS( C,R,L ), 8)\n! PRESCELL( NCELL ) = REAL( PRES( C,R,L ), 8)\n ATMPRES( NCELL ) = PA2ATM * REAL( PRES( C,R,L ), 8)\n H2O( NCELL ) = REAL( MAX ( MAOMV * QV( C,R,L ), 0.0 ), 8)\n SEAWATER (NCELL) = MAX ( 0.0D0, ( REAL( SEAWATER_ZONE( C,R ) - SEAICE (C,R) ,8) ) )\n\nc..Get rate constants\n LSUNLIGHT = .FALSE.\n FORALL( NPH = 1:NPHOTAB ) RJIN( NCELL,NPH ) = REAL( RJ( C,R,L,NPH ), 8)\n IF( MAXVAL(RJIN) .GT. 0.0D0 ) LSUNLIGHT = .TRUE.\n\n FORALL ( NPH = 1:NHETERO )HET( NCELL,NPH ) = REAL( KHETERO( NPH,C,R,L ), 8)\n\n CALL CALC_RCONST( TEMP, ATMPRES, H2O, RJIN, HET, LSUNLIGHT, SEAWATER, RKI_SAV, NCELL )\n FORALL( NPH = 1:NRXNS )RKI( NPH ) = RKI_SAV( NCELL, NPH )\n\n#ifdef isam\n#if defined(isam) || defined(verbose_isam)\nC...For diagnosing IRR calculations in log files\n IF( CHECK_ISAM )THEN\n WRITE_CELL = .FALSE.\n IF( C .EQ. MAX(1, NCOLS/2) .AND. R .EQ. MAX(1,NROWS/2) .AND. L .EQ. 1 )THEN\n WRITE_CELL = .TRUE.\n WRITE(LOGDEV,*)'WRITE_CELL = .TRUE.'\n ELSE\n WRITE_CELL = .FALSE.\n END IF\n END IF\n#endif\n CALL SA_IRR_EXTRACT( C, R, L, DENS( C,R,L ),YC )\n#endif\n\nc..Call EBI solver\n N_EBI_IT = 0\n\n CALL HRSOLVER( JDATE, JTIME, C, R, L )\n\n#ifdef hrstats\n MXEBI = MAX( MXEBI, N_EBI_IT )\n MNEBI = MIN( MNEBI, N_EBI_IT )\n SUMEBI = SUMEBI + REAL( N_EBI_IT )\n#endif\n\n\nc..Update concentration array\n DO SPC = 1, NUMB_MECH_SPC\n S = CGRID_INDEX( SPC )\n IF( CONVERT_CONC( SPC ) )THEN\n CGRID( C,R,L,S ) = REAL( REVERSE_CONV( SPC ) * DENS( C,R,L )\n & * MAX( YC( SPC ), DCONMIN), 4)\n ELSE\n CGRID( C,R,L,S ) = REAL( MAX( YC( SPC ), DCONMIN), 4)\n END IF\n END DO\n\n IF(CALL_DEG)THEN ! WTH: update based on degrade routines\n CALL FINAL_DEGRADE(YCCELL)\n UPDATE_DEGRADED: DO SPC = 1, N_REACT\n ISP = RXTANT_MAP( SPC )\n IF( ISP .LE. 0 )CYCLE UPDATE_DEGRADED\n DO S = 1, NUMB_MECH_SPC\n IF( CGRID_INDEX( S ) .EQ. ISP )CYCLE UPDATE_DEGRADED\n END DO\n CGRID(C,R,L,ISP) = REAL( YCCELL(ISP), 4)\n END DO UPDATE_DEGRADED\n#ifdef isam\n CALL SA_DEGRADE_UPLOAD( C,R,L,DENS(C,R,L) )\n#endif\n END IF\n\n#ifdef isam\n CALL SA_IRR_UPLOAD( C, R, L, DENS( C,R,L ), YC )\n#endif\n\nc..update irrout arrays if needed\n IF ( LFLAGIRR( C,R,L ) )CALL PA_IRR_CELLENDF( C, R, L )\n#ifdef sens\n DO RXN = 1, NRXNS\n SRK( RXN ) = RKI( RXN )\n IF ( HIGH ) THEN\n IF ( ORDER1 (RXN ) ) THEN\n SRK2( RXN ) = 0.0\n ELSE\n SRK2( RXN ) = RKI( RXN )\n END IF\n END IF\n END DO\n\n\n CALL SOLVE_DDM3D_CHEM( C,R,L,CHEMSTEP )\n#endif\n\n END DO\n END DO\n END DO\n\n! Update Aerosol Surface Area\n CALL HETCHEM_UPDATE_AERO( CGRID )\n\n#ifdef hrstats\n AVGEBI = SUMEBI / REAL( NCOLS * NROWS * NLAYS )\n WRITE( ISTFL, 94040 ) JDATE, JTIME, MNEBI, AVGEBI, MXEBI\n#endif\n\n RETURN\n\nC*********************** FORMAT STATEMENTS ****************************\n\n92000 FORMAT( / 10X, 'Euler Backward Iterative Parameters -'\n & / 10X, 'Chemistry Integration Time Interval (min):', F12.4,\n & / 10X, 'EBI maximum time step (min): ', F12.4 )\n\n92020 FORMAT( //10X, 'Species convergence tolerances:' )\n\n92040 FORMAT( 10X, A16, 2X, 1PE12.2 )\n\n92060 FORMAT( / 10X, 'Emissions Processing in Chemistry ...'\n & / 10X, 'Number of Emissions Layers: ', I3\n & / 10X, 'out of total Number of Model Layers:', I3 )\n\n\n94020 FORMAT( 'DATE TIME ', 'MNEBI AVEBI MXEBI' )\n\n94040 FORMAT( I7, 1X, I6, 1X, 3( I5, 1X ) )\n END\n" }, { "path": "CCTM/src/gas/ebi_cracmm1amore_aq/hrg1.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\n SUBROUTINE HRG1( DTC )\n\nC**********************************************************************\nC\nC FUNCTION: To solve for the concentration of NO2, NO, O3, and O3P\nC algebraically.\nC\nC PRECONDITIONS: For the CRACMM1AMORE_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 16, 2022\nC\nC 18 Jul 14 B.Hutzell: revised to use real(8) variables\nC 01 Jun 18 B.Hutzell: replaced steady solution for O1D with backward Euler\nC approximation. To match conditions where the initial\nC concentration cannot be neglected.\nC**********************************************************************\n USE HRDATA\n\n IMPLICIT NONE\n\n\nC..INCLUDES: None\n\n\nC..ARGUMENTS:\n REAL( 8 ), INTENT( IN ) :: DTC ! Time step\n\n\nC..PARAMETERS: None\n\n\nC..EXTERNAL FUNCTIONS: NONE\n\n\nC..SAVED LOCAL VARIABLES:\n! CHARACTER( 16 ), SAVE :: PNAME = 'HRG1' ! Prgram Name\n\n\nC..SCRATCH LOCAL VARIABLES:\n REAL( 8 ) :: O1D_S ! sum of O1D loss frequencies\n REAL( 8 ) :: O3P_S ! stoich coeff for O3P from O1D\n\n\n\n REAL( 8 ) :: R1_2 ! production term for NO from NO2\n REAL( 8 ) :: R2_1 ! production term for NO2 from NO\n REAL( 8 ) :: P1, P2, P3, P12 ! production terms for NO, NO2, O3, & O3P\n REAL( 8 ) :: L1, L2, L3, L12 ! loss terms for NO, NO2, O3, O3P\n REAL( 8 ) :: L1_INV, L2_INV,\n & L3_INV, L12_INV ! inverse of loss terms\n\n REAL( 8 ) :: T1, T2, T3, T4, T5 ! intermerdiate terms\n REAL( 8 ) :: F1, F2, F3 ! intermerdiate terms\n REAL( 8 ) :: A, B, C ! coefficients for quadratic equation\n REAL( 8 ) :: Q, XX, S1, S2 ! intermerdiate terms\n\n REAL( 8 ) :: RK1, RK2, RK3 ! rate constants\n\n REAL( 8 ) :: PO3 ! temp variable for O3\n\nC**********************************************************************\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc O1D Section\nc 1) sum of the rate constants for all O1D loss reactions\nc 2) get fractional yield of O3P from O1D loss\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n O1D_S = RKI( 45 ) ! O1D=O3P\n & + RKI( 46 ) ! O1D=O3P\n & + RKI( 47 ) ! O1D=0.2000D+01*HO\n\n O3P_S = RKI( 45 ) ! O1D=O3P\n & + RKI( 46 ) ! O1D=O3P\n\n O3P_S = O3P_S / O1D_S\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc NO Section\nc R1_2 = production of NO from NO2 ( rates of form k[NO2][x] )\nc except NO2+NO3=NO+NO2 (it is treated as if it were NO3=NO )\nc P1 = remaining NO production terms\nc L1 = loss of NO (except rxns producing NO2 - they are in R2_1)\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n R1_2 = RKI( 4 ) ! NO2=NO+O3P\n & + RKI( 59 ) * YC ( O3P ) ! NO2+O3P=NO\n R1_2 = R1_2 * DTC\n\n\n P1 = RXRAT( 5 ) ! NO3=NO\n & + RXRAT( 7 ) ! HONO=NO+HO\n & + RXRAT( 66 ) ! NO2+NO3=NO+NO2\n P1 = YC0( NO ) + P1 * DTC\n\n\n L1 = RKI( 54 ) * YC ( HO ) ! NO+HO=HONO\n & + RKI( 56 ) * YC ( HO2 ) ! NO+HO2=HNO3\n & + 2.2000D-01 * RKI( 92 ) * YC ( ISOP ) ! NO+ISOP=0.1400D+...\n & + 5.0000D-01 * RKI( 95 ) * YC ( INO2 ) ! NO+INO2=0.9000D+...\n & + 6.5000D-02 * RKI( 185 ) * YC ( HC3P ) ! NO+HC3P=0.6600D+...\n & + 1.3600D-01 * RKI( 186 ) * YC ( HC5P ) ! NO+HC5P=0.2000D+...\n & + 3.0000D-02 * RKI( 188 ) * YC ( OLTP ) ! NO+OLTP=0.7800D+...\n & + 5.0000D-02 * RKI( 189 ) * YC ( OLIP ) ! NO+OLIP=0.8300D+...\n & + 2.0000D-03 * RKI( 190 ) * YC ( BENP ) ! NO+BENP=0.0000D+...\n & + 2.0000D-03 * RKI( 191 ) * YC ( TOLP ) ! NO+TOLP=0.2000D-...\n & + 2.0000D-03 * RKI( 192 ) * YC ( XYMP ) ! NO+XYMP=0.1000D-...\n & + 2.0000D-03 * RKI( 193 ) * YC ( XYEP ) ! NO+XYEP=0.2000D-...\n & + 1.8000D-01 * RKI( 194 ) * YC ( APIP1 ) ! NO+APIP1=0.8200D+...\n & + 1.8000D-01 * RKI( 195 ) * YC ( APIP2 ) ! NO+APIP2=0.8200D+...\n & + 1.8000D-01 * RKI( 197 ) * YC ( APINP2 ) ! NO+APINP2=...\n & + 2.3000D-01 * RKI( 198 ) * YC ( LIMP1 ) ! NO+LIMP1=0.7700D+...\n & + 2.3000D-01 * RKI( 199 ) * YC ( LIMP2 ) ! NO+LIMP2=0.7700D+...\n & + 2.3000D-01 * RKI( 201 ) * YC ( LIMNP2 ) ! NO+LIMNP2=...\n & + 5.0000D-02 * RKI( 202 ) * YC ( PINALP ) ! NO+PINALP=...\n & + 6.0000D-02 * RKI( 203 ) * YC ( LIMALP ) ! NO+LIMALP=...\n & + 3.2000D-02 * RKI( 396 ) * YC ( BDE13P ) ! NO+BDE13P=...\n & + 8.0000D-02 * RKI( 404 ) * YC ( FURANO2 ) ! NO+FURANO2=...\n & + 2.4700D-01 * RKI( 418 ) * YC ( SESQRO2 ) ! NO+SESQRO2=...\n & + 2.8000D-01 * RKI( 434 ) * YC ( VROCP6ALKP ) ! NO+VROCP6ALKP=...\n & + 2.8000D-01 * RKI( 435 ) * YC ( VROCP5ALKP ) ! NO+VROCP5ALKP=...\n & + 2.8000D-01 * RKI( 436 ) * YC ( VROCP4ALKP ) ! NO+VROCP4ALKP=...\n & + 2.8000D-01 * RKI( 437 ) * YC ( VROCP3ALKP ) ! NO+VROCP3ALKP=...\n & + 2.8000D-01 * RKI( 438 ) * YC ( VROCP2ALKP ) ! NO+VROCP2ALKP=...\n & + 2.8000D-01 * RKI( 439 ) * YC ( VROCP1ALKP ) ! NO+VROCP1ALKP=...\n & + 2.6000D-01 * RKI( 440 ) * YC ( HC10P ) ! NO+HC10P=0.7400D+...\n & + 1.4000D-01 * RKI( 462 ) * YC ( VROCP6ALKP2 ) ! NO+VROCP6ALKP2=...\n & + 1.4000D-01 * RKI( 463 ) * YC ( VROCP5ALKP2 ) ! NO+VROCP5ALKP2=...\n & + 1.4000D-01 * RKI( 464 ) * YC ( VROCP4ALKP2 ) ! NO+VROCP4ALKP2=...\n & + 1.4000D-01 * RKI( 465 ) * YC ( VROCP3ALKP2 ) ! NO+VROCP3ALKP2=...\n & + 1.4000D-01 * RKI( 466 ) * YC ( VROCP2ALKP2 ) ! NO+VROCP2ALKP2=...\n & + 1.4000D-01 * RKI( 467 ) * YC ( VROCP1ALKP2 ) ! NO+VROCP1ALKP2=...\n & + 1.2000D-01 * RKI( 468 ) * YC ( HC10P2 ) ! NO+HC10P2=...\n & + 2.0000D-03 * RKI( 485 ) * YC ( VROCP6AROP ) ! NO+VROCP6AROP=...\n & + 2.0000D-03 * RKI( 491 ) * YC ( VROCP5AROP ) ! NO+VROCP5AROP=...\n & + 2.0000D-03 * RKI( 497 ) * YC ( NAPHP ) ! NO+NAPHP=0.5950D-...\n L1 = 1.0D0 + L1 * DTC\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc NO2 Section\nc R2_1 = production of NO2 from NO ( rates of form k[NO][x] )\nc a) NO+O3=NO2 not included\nc b) NO+NO3=2NO2 ( 1/2 of NO2 formation rate included )\nc c) NO3+NO2=NO+NO2 is not included for NO2\nc P2 = remaining NO2 production terms \nc a) NO+O3=NO2 not included\nc b) NO+NO3=2NO2 (1/2 of NO2 formation rate included )\nc L2 = loss of NO2 (except rxns producing NO2 - they are in R1_2)\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n R2_1 = RKI( 53 ) * YC ( O3P ) ! NO+O3P=NO2\n & + RKI( 55 ) * YC ( HO2 ) ! NO+HO2=NO2+HO\n & + 2.0000D+00 * RKI( 57 ) * YC ( NO ) ! NO+NO=0.2000D+01*NO2\n & + RKI( 65 ) * YC ( NO3 ) ! NO+NO3=0.2000D+...\n & + 7.8000D-01 * RKI( 92 ) * YC ( ISOP ) ! NO+ISOP=0.7800D+...\n & + 5.0000D-01 * RKI( 95 ) * YC ( INO2 ) ! NO+INO2=0.5000D+...\n & + 2.0000D-01 * RKI( 100 ) * YC ( IPC ) ! NO+IPC=0.3500D+...\n & + RKI( 183 ) * YC ( MO2 ) ! NO+MO2=NO2+HO2+HCHO\n & + RKI( 184 ) * YC ( ETHP ) ! NO+ETHP=NO2+HO2+ACD\n & + 9.3500D-01 * RKI( 185 ) * YC ( HC3P ) ! NO+HC3P=0.9350D+...\n & + 8.6400D-01 * RKI( 186 ) * YC ( HC5P ) ! NO+HC5P=0.8640D+...\n & + RKI( 187 ) * YC ( ETEP ) ! NO+ETEP=NO2+HO2+...\n & + 9.7000D-01 * RKI( 188 ) * YC ( OLTP ) ! NO+OLTP=0.9700D+...\n & + 9.5000D-01 * RKI( 189 ) * YC ( OLIP ) ! NO+OLIP=0.9500D+...\n & + 9.9800D-01 * RKI( 190 ) * YC ( BENP ) ! NO+BENP=0.9980D+...\n & + 9.9800D-01 * RKI( 191 ) * YC ( TOLP ) ! NO+TOLP=0.9980D+...\n & + 9.9800D-01 * RKI( 192 ) * YC ( XYMP ) ! NO+XYMP=0.9980D+...\n & + 9.9800D-01 * RKI( 193 ) * YC ( XYEP ) ! NO+XYEP=0.9980D+...\n & + 8.2000D-01 * RKI( 194 ) * YC ( APIP1 ) ! NO+APIP1=0.8200D+...\n & + 8.2000D-01 * RKI( 195 ) * YC ( APIP2 ) ! NO+APIP2=0.8200D+...\n & + RKI( 196 ) * YC ( APINP1 ) ! NO+APINP1=...\n & + 8.2000D-01 * RKI( 197 ) * YC ( APINP2 ) ! NO+APINP2=...\n & + 7.7000D-01 * RKI( 198 ) * YC ( LIMP1 ) ! NO+LIMP1=0.7700D+...\n & + 7.7000D-01 * RKI( 199 ) * YC ( LIMP2 ) ! NO+LIMP2=0.7700D+...\n & + RKI( 200 ) * YC ( LIMNP1 ) ! NO+LIMNP1=...\n & + 7.7000D-01 * RKI( 201 ) * YC ( LIMNP2 ) ! NO+LIMNP2=...\n & + 9.5000D-01 * RKI( 202 ) * YC ( PINALP ) ! NO+PINALP=...\n & + 9.4000D-01 * RKI( 203 ) * YC ( LIMALP ) ! NO+LIMALP=...\n & + RKI( 204 ) * YC ( ACO3 ) ! NO+ACO3=NO2+MO2\n & + RKI( 205 ) * YC ( RCO3 ) ! NO+RCO3=NO2+ETHP\n & + RKI( 206 ) * YC ( ACTP ) ! NO+ACTP=NO2+ACO3+...\n & + RKI( 207 ) * YC ( MEKP ) ! NO+MEKP=NO2+...\n & + RKI( 208 ) * YC ( KETP ) ! NO+KETP=NO2+...\n & + RKI( 209 ) * YC ( MACP ) ! NO+MACP=NO2+...\n & + RKI( 210 ) * YC ( MCP ) ! NO+MCP=NO2+...\n & + RKI( 211 ) * YC ( MVKP ) ! NO+MVKP=NO2+...\n & + RKI( 212 ) * YC ( UALP ) ! NO+UALP=NO2+HO2+...\n & + RKI( 213 ) * YC ( BALP ) ! NO+BALP=NO2+BAL1\n & + RKI( 214 ) * YC ( BAL1 ) ! NO+BAL1=NO2+BAL2\n & + RKI( 215 ) * YC ( ADDC ) ! NO+ADDC=NO2+HO2+...\n & + RKI( 216 ) * YC ( MCTP ) ! NO+MCTP=NO2+MCTO\n & + RKI( 217 ) * YC ( ORAP ) ! NO+ORAP=NO2+GLY+HO2\n & + RKI( 218 ) * YC ( OLNN ) ! NO+OLNN=NO2+HO2+ONIT\n & + RKI( 219 ) * YC ( OLND ) ! NO+OLND=0.2000D+...\n & + RKI( 220 ) * YC ( ADCN ) ! NO+ADCN=0.2000D+...\n & + RKI( 221 ) * YC ( XO2 ) ! NO+XO2=NO2\n & + 9.6800D-01 * RKI( 396 ) * YC ( BDE13P ) ! NO+BDE13P=...\n & + 9.2000D-01 * RKI( 404 ) * YC ( FURANO2 ) ! NO+FURANO2=...\n & + RKI( 412 ) * YC ( SESQNRO2 ) ! NO+SESQNRO2=...\n & + 7.5300D-01 * RKI( 418 ) * YC ( SESQRO2 ) ! NO+SESQRO2=...\n & + 7.2000D-01 * RKI( 434 ) * YC ( VROCP6ALKP ) ! NO+VROCP6ALKP=...\n & + 7.2000D-01 * RKI( 435 ) * YC ( VROCP5ALKP ) ! NO+VROCP5ALKP=...\n & + 7.2000D-01 * RKI( 436 ) * YC ( VROCP4ALKP ) ! NO+VROCP4ALKP=...\n & + 7.2000D-01 * RKI( 437 ) * YC ( VROCP3ALKP ) ! NO+VROCP3ALKP=...\n & + 7.2000D-01 * RKI( 438 ) * YC ( VROCP2ALKP ) ! NO+VROCP2ALKP=...\n & + 7.2000D-01 * RKI( 439 ) * YC ( VROCP1ALKP ) ! NO+VROCP1ALKP=...\n & + 7.4000D-01 * RKI( 440 ) * YC ( HC10P ) ! NO+HC10P=0.7400D+...\n & + 8.6000D-01 * RKI( 462 ) * YC ( VROCP6ALKP2 ) ! NO+VROCP6ALKP2=...\n & + 8.6000D-01 * RKI( 463 ) * YC ( VROCP5ALKP2 ) ! NO+VROCP5ALKP2=...\n & + 8.6000D-01 * RKI( 464 ) * YC ( VROCP4ALKP2 ) ! NO+VROCP4ALKP2=...\n & + 8.6000D-01 * RKI( 465 ) * YC ( VROCP3ALKP2 ) ! NO+VROCP3ALKP2=...\n & + 8.6000D-01 * RKI( 466 ) * YC ( VROCP2ALKP2 ) ! NO+VROCP2ALKP2=...\n & + 8.6000D-01 * RKI( 467 ) * YC ( VROCP1ALKP2 ) ! NO+VROCP1ALKP2=...\n & + 8.8000D-01 * RKI( 468 ) * YC ( HC10P2 ) ! NO+HC10P2=...\n & + 9.9800D-01 * RKI( 485 ) * YC ( VROCP6AROP ) ! NO+VROCP6AROP=...\n & + 9.9800D-01 * RKI( 491 ) * YC ( VROCP5AROP ) ! NO+VROCP5AROP=...\n & + 9.9800D-01 * RKI( 497 ) * YC ( NAPHP ) ! NO+NAPHP=0.9980D+...\n R2_1 = R2_1 * DTC\n\n\n P2 = RXRAT( 6 ) ! NO3=NO2+O3P\n & + RXRAT( 8 ) ! HNO3=NO2+HO\n & + 8.0000D-01 * RXRAT( 9 ) ! HNO4=0.8000D+00*NO2+...\n & + RXRAT( 36 ) ! ONIT=NO2+HO2+0.2000D+...\n & + RXRAT( 37 ) ! PAN=NO2+ACO3\n & + RXRAT( 58 ) ! HONO+HO=NO2\n & + RXRAT( 63 ) ! NO3+HO=NO2+HO2\n & + 7.0000D-01 * RXRAT( 64 ) ! NO3+HO2=0.7000D+...\n & + RXRAT( 65 ) ! NO+NO3=0.2000D+01*NO2\n & + 2.0000D+00 * RXRAT( 67 ) ! NO3+NO3=0.2000D+01*NO2\n & + RXRAT( 69 ) ! N2O5=NO2+NO3\n & + RXRAT( 72 ) ! HNO4=NO2+HO2\n & + RXRAT( 73 ) ! HNO4+HO=NO2\n & + 3.0000D-01 * RXRAT( 89 ) ! ISO+NO3=0.3000D+...\n & + 8.0000D-01 * RXRAT( 96 ) ! IPN+HO2=0.8000D+...\n & + 4.0000D-01 * RXRAT( 98 ) ! ISHP+HO=0.4000D+...\n & + 1.5000D-01 * RXRAT( 100 ) ! NO+IPC=0.3500D+00*NO2+...\n & + 1.2000D-01 * RXRAT( 101 ) ! NALD+HO=0.1200D+00*NO2+CO\n & + RXRAT( 141 ) ! MPAN+HO=NO2+HKET\n & + RXRAT( 142 ) ! ONIT+HO=NO2+HC3P\n & + 6.8000D-01 * RXRAT( 167 ) ! MACR+NO3=0.6800D+...\n & + RXRAT( 174 ) ! MPAN+NO3=NO2+MACP\n & + RXRAT( 178 ) ! PAN=NO2+ACO3\n & + RXRAT( 180 ) ! PPN=NO2+RCO3\n & + RXRAT( 182 ) ! MPAN=NO2+MACP\n & + RXRAT( 196 ) ! NO+APINP1=0.2000D+...\n & + RXRAT( 200 ) ! NO+LIMNP1=0.2000D+...\n & + RXRAT( 219 ) ! NO+OLND=0.2000D+...\n & + RXRAT( 220 ) ! NO+ADCN=0.2000D+...\n & + 8.6000D-01 * RXRAT( 277 ) ! APINP1+MO2=0.8600D+...\n & + 7.5000D-01 * RXRAT( 278 ) ! APINP2+MO2=0.7500D+...\n & + 7.0000D-01 * RXRAT( 281 ) ! LIMNP1+MO2=0.7000D+...\n & + 7.5000D-01 * RXRAT( 282 ) ! LIMNP2+MO2=0.7500D+...\n & + RXRAT( 289 ) ! MCP+MO2=NO2+HO2+...\n & + 5.0000D-01 * RXRAT( 298 ) ! OLND+MO2=0.5000D+...\n & + 7.0000D-01 * RXRAT( 299 ) ! ADCN+MO2=0.7000D+...\n & + 8.6000D-01 * RXRAT( 314 ) ! APINP1+ACO3=0.8600D+...\n & + 5.0000D-01 * RXRAT( 315 ) ! APINP2+ACO3=0.5000D+...\n & + 7.0000D-01 * RXRAT( 318 ) ! LIMNP1+ACO3=0.7000D+...\n & + 5.0000D-01 * RXRAT( 319 ) ! LIMNP2+ACO3=0.5000D+...\n & + RXRAT( 326 ) ! MCP+ACO3=NO2+0.5000D+...\n & + RXRAT( 335 ) ! OLND+ACO3=NO2+0.5000D+...\n & + 7.0000D-01 * RXRAT( 336 ) ! ADCN+ACO3=0.7000D+...\n & + RXRAT( 339 ) ! MO2+NO3=NO2+HCHO+HO2\n & + RXRAT( 340 ) ! ETHP+NO3=NO2+HO2+ACD\n & + RXRAT( 341 ) ! HC3P+NO3=NO2+0.1400D+...\n & + RXRAT( 342 ) ! HC5P+NO3=NO2+0.5500D-...\n & + RXRAT( 343 ) ! ETEP+NO3=NO2+HO2+...\n & + RXRAT( 344 ) ! OLTP+NO3=NO2+0.7900D+...\n & + RXRAT( 345 ) ! OLIP+NO3=NO2+0.7200D+...\n & + RXRAT( 346 ) ! BENP+NO3=NO2+HO2+...\n & + RXRAT( 347 ) ! TOLP+NO3=NO2+0.9146D+...\n & + RXRAT( 348 ) ! XYMP+NO3=NO2+0.9518D+...\n & + RXRAT( 349 ) ! XYEP+NO3=NO2+0.9146D+...\n & + RXRAT( 350 ) ! ISOP+NO3=NO2+HO2+...\n & + RXRAT( 351 ) ! APIP1+NO3=NO2+HO2+ALD+KET\n & + RXRAT( 352 ) ! LIMP1+NO3=NO2+HO2+...\n & + RXRAT( 353 ) ! ACO3+NO3=NO2+MO2\n & + RXRAT( 354 ) ! RCO3+NO3=NO2+ETHP\n & + RXRAT( 355 ) ! ACTP+NO3=NO2+ACO3+HCHO\n & + RXRAT( 356 ) ! MEKP+NO3=NO2+0.6700D+...\n & + RXRAT( 357 ) ! KETP+NO3=NO2+HO2+DCB1\n & + RXRAT( 358 ) ! MACP+NO3=NO2+0.5380D+...\n & + RXRAT( 359 ) ! MCP+NO3=NO2+HO2+HCHO+HKET\n & + RXRAT( 360 ) ! MVKP+NO3=NO2+0.7000D+...\n & + RXRAT( 361 ) ! UALP+NO3=NO2+HO2+...\n & + RXRAT( 362 ) ! BALP+NO3=NO2+BAL1\n & + RXRAT( 363 ) ! BAL1+NO3=NO2+BAL2\n & + RXRAT( 364 ) ! ADDC+NO3=NO2+HO2+...\n & + RXRAT( 365 ) ! MCTP+NO3=NO2+MCTO\n & + RXRAT( 366 ) ! ORAP+NO3=NO2+GLY+HO2\n & + RXRAT( 367 ) ! OLNN+NO3=NO2+HO2+ONIT\n & + 2.0000D+00 * RXRAT( 368 ) ! OLND+NO3=0.2000D+...\n & + 2.0000D+00 * RXRAT( 369 ) ! ADCN+NO3=0.2000D+...\n & + 5.0000D-01 * RXRAT( 371 ) ! OLNN+OLND=0.5000D+...\n & + RXRAT( 372 ) ! OLND+OLND=NO2+0.5040D+...\n & + RXRAT( 373 ) ! XO2+NO3=NO2\n & + 4.8000D-01 * RXRAT( 382 ) ! APINP2+APIP1=0.4800D+...\n & + 4.8000D-01 * RXRAT( 383 ) ! APINP2+LIMP1=0.4800D+...\n & + 4.8000D-01 * RXRAT( 384 ) ! APINP2+ISOP=0.4800D+...\n & + 4.8000D-01 * RXRAT( 385 ) ! LIMNP2+APIP1=0.4800D+...\n & + 4.8000D-01 * RXRAT( 386 ) ! LIMNP2+LIMP1=0.4800D+...\n & + 4.8000D-01 * RXRAT( 387 ) ! LIMNP2+ISOP=0.4800D+...\n & + 6.8000D-01 * RXRAT( 393 ) ! ACRO+NO3=0.6800D+...\n & + RXRAT( 397 ) ! BDE13P+NO3=NO2+HO2+...\n & + RXRAT( 408 ) ! FURAN+NO3=NO2+0.8000D+...\n & + RXRAT( 412 ) ! NO+SESQNRO2=0.2000D+...\n & + 2.0000D+00 * RXRAT( 413 ) ! SESQNRO2+NO3=0.2000D+...\n & + RXRAT( 441 ) ! VROCP6ALKP+NO3=NO2+...\n & + RXRAT( 442 ) ! VROCP5ALKP+NO3=NO2+...\n & + RXRAT( 443 ) ! VROCP4ALKP+NO3=NO2+...\n & + RXRAT( 444 ) ! VROCP3ALKP+NO3=NO2+...\n & + RXRAT( 445 ) ! VROCP2ALKP+NO3=NO2+...\n & + RXRAT( 446 ) ! VROCP1ALKP+NO3=NO2+...\n & + RXRAT( 447 ) ! HC10P+NO3=NO2+HC10P2\n & + RXRAT( 469 ) ! VROCP6ALKP2+NO3=NO2+...\n & + RXRAT( 470 ) ! VROCP5ALKP2+NO3=NO2+...\n & + RXRAT( 471 ) ! VROCP4ALKP2+NO3=NO2+...\n & + RXRAT( 472 ) ! VROCP3ALKP2+NO3=NO2+...\n & + RXRAT( 473 ) ! VROCP2ALKP2+NO3=NO2+...\n & + RXRAT( 474 ) ! VROCP1ALKP2+NO3=NO2+...\n & + RXRAT( 475 ) ! HC10P2+NO3=NO2+KET+HO2\n & + RXRAT( 486 ) ! VROCP6AROP+NO3=NO2+...\n & + RXRAT( 492 ) ! VROCP5AROP+NO3=NO2+...\n & + RXRAT( 498 ) ! NAPHP+NO3=NO2+0.9405D+...\n P2 = YC0( NO2 ) + P2 * DTC\n\n\n L2 = RKI( 42 ) * YC ( O3 ) ! NO2+O3=NO3\n & + RKI( 60 ) * YC ( O3P ) ! NO2+O3P=NO3\n & + RKI( 61 ) * YC ( HO ) ! NO2+HO=HNO3\n & + RKI( 68 ) * YC ( NO3 ) ! NO2+NO3=N2O5\n & + RKI( 71 ) * YC ( HO2 ) ! NO2+HO2=HNO4\n & + RKI( 177 ) * YC ( ACO3 ) ! NO2+ACO3=PAN\n & + RKI( 179 ) * YC ( RCO3 ) ! NO2+RCO3=PPN\n & + RKI( 181 ) * YC ( MACP ) ! NO2+MACP=MPAN\n & + RKI( 222 ) * YC ( BAL2 ) ! NO2+BAL2=ONIT\n & + RKI( 223 ) * YC ( CHO ) ! NO2+CHO=ONIT\n & + RKI( 224 ) * YC ( MCTO ) ! NO2+MCTO=ONIT\n & + RKI( 422 ) ! NO2=0.5000D+...\n L2 = 1.0D0 + L2 * DTC\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc O3 Section\nc P3 = production of O3 except O+O2=O3\nc L3 = loss terms for O3 except NO+O3=NO2\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n P3 = YC0( O3 ) \n\n\n L3 = RKI( 1 ) ! O3=O3P\n & + RKI( 2 ) ! O3=O1D\n & + RKI( 39 ) * YC ( HO ) ! O3+HO=HO2\n & + RKI( 40 ) * YC ( HO2 ) ! O3+HO2=HO\n & + RKI( 42 ) * YC ( NO2 ) ! O3+NO2=NO3\n & + RKI( 44 ) * YC ( O3P ) ! O3+O3P=\n & + RKI( 88 ) * YC ( ISO ) ! O3+ISO=0.5310D+...\n & + RKI( 144 ) * YC ( ETE ) ! O3+ETE=0.8000D-...\n & + RKI( 145 ) * YC ( OLT ) ! O3+OLT=0.2200D+...\n & + RKI( 146 ) * YC ( OLI ) ! O3+OLI=0.4600D+...\n & + RKI( 147 ) * YC ( API ) ! O3+API=0.9000D+...\n & + RKI( 148 ) * YC ( LIM ) ! O3+LIM=0.8400D+...\n & + RKI( 149 ) * YC ( LIMAL ) ! O3+LIMAL=0.4000D-...\n & + RKI( 150 ) * YC ( TRPN ) ! O3+TRPN=HOM\n & + RKI( 151 ) * YC ( MACR ) ! O3+MACR=0.1900D+...\n & + RKI( 152 ) * YC ( MVK ) ! O3+MVK=0.1600D+...\n & + RKI( 153 ) * YC ( UALD ) ! O3+UALD=0.1000D+...\n & + RKI( 154 ) * YC ( DCB1 ) ! O3+DCB1=0.5000D-...\n & + RKI( 155 ) * YC ( DCB2 ) ! O3+DCB2=0.5000D-...\n & + RKI( 156 ) * YC ( DCB3 ) ! O3+DCB3=0.5000D-...\n & + RKI( 157 ) * YC ( MCTO ) ! O3+MCTO=MCTP\n & + RKI( 392 ) * YC ( ACRO ) ! O3+ACRO=0.8400D+...\n & + RKI( 401 ) * YC ( BDE13 ) ! O3+BDE13=0.6200D+...\n & + RKI( 407 ) * YC ( FURAN ) ! O3+FURAN=0.2000D-...\n & + RKI( 414 ) * YC ( SESQ ) ! O3+SESQ=0.9820D+...\n & + RKI( 423 ) ! O3=\n L3 = 1.0D0 + L3 * DTC\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc O3P Section \nc P12 = production of O3P except NO2+hv=O3P (J1)\nc L12 = loss terms\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n P12 = RXRAT( 1 ) ! O3=O3P\n & + O3P_S * RXRAT( 2 ) ! O3=O1D\n & + RXRAT( 6 ) ! NO3=O3P+NO2\n P12 = YC0( O3P ) + P12 * DTC\n\n\n L12 = RKI( 43 ) ! O3P=O3\n & + RKI( 44 ) * YC ( O3 ) ! O3P+O3=\n & + RKI( 53 ) * YC ( NO ) ! O3P+NO=NO2\n & + RKI( 59 ) * YC ( NO2 ) ! O3P+NO2=NO\n & + RKI( 60 ) * YC ( NO2 ) ! O3P+NO2=NO3\n L12 = 1.0D0 + L12 * DTC\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Solution section\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\nc..compute reciprocal of loss terms\n L1_INV = 1.0D0 / L1\n L2_INV = 1.0D0 / L2\n L3_INV = 1.0D0 / L3\n L12_INV = 1.0D0 / L12\n\nc..compute specific k*delta t terms\n RK1 = RKI( 4 ) * DTC ! J1 (NO2+hv=NO+O3P)\n RK2 = RKI( 43 ) * DTC ! J2 (O3P+O2=O3)\n RK3 = RKI( 41 ) * DTC ! k1_3 (NO+O3=NO2)\n\nc..compute terms that are used to calulate a,b & c\n T1 = RK1 * L2_INV ! J1 / ( 1.0 + Lno2 * dt )\n T2 = R1_2 * L2_INV ! r1,2 / ( 1.0 + Lno2 * dt)\n T3 = R2_1 * L1_INV ! r2,1 / ( 1.0 + Lno * dt)\n T4 = RK2 * L12_INV ! J2 / ( 1.0 + Lo3p * dt )\n T5 = T3 * P1 - T2 * P2 ! T3 * Pno - T2 * Pno2\n\n F1 = 1.0D0 + T2 + T3 ! factor in calculating a & b\n F2 = T1 * T4 ! factor in calculating a & b\n F3 = L3 * L1 + RK3 * P1 ! (1 + Lo3 * dt) (1 + lno * dt )\n ! + k1,3 * dt * Pno\n\n PO3 = P3 + P12 * T4\n\n A = RK3 * ( F1 - F2 )\n\n B = F1 * F3 + RK3 * ( F2 * ( P2 - P1 ) + PO3 + T5 )\n\n C = RK3 * P1 * ( PO3 + P2 * F2 ) + F3 * T5\n\n Q = -0.5D0 * ( B + SIGN( 1.0D0, B ) * SQRT( B * B - 4.0D0 * A * C ) )\n\n XX = MAX( Q / A , C / Q )\n\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Species solutions\nc [NO] = ( P1 + x ) / ( 1 + L1 )\nc [NO2] = ( P2 - x ) / ( 1 + L2 )\nc [O3 ] = ( P3 + Ko3p->O3 ) / (1 + K1,3 * [NO] + L3 )\nc [O3P] = ( P12 + J1 * [NO2] ) / ( 1 + L12 )\nc [O1D] = ( yc0(o1d) + Ko3->o1d * [O3] *dtc) / ( 1 + O1D_S*dtc )\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n YCP( NO ) = MAX( 0.0D0, ( P1 + XX ) * L1_INV )\n\n YCP( NO2 ) = MAX( 0.0D0, ( P2 - XX ) * L2_INV )\n\n S1 = P12 + RK1 * YCP( NO2 )\n\n S2 = T4 * S1\n\n YCP( O3 ) = ( P3 + S2 ) / ( L3 + RK3 * YCP( NO ) )\n\n YCP( O3P ) = S1 * L12_INV\n\n YCP( O1D ) = ( YC0( O1D ) + RKI( 2 ) * YCP( O3 ) * DTC ) \n & / ( 1.0D0 + O1D_S * DTC )\n\n RETURN\n\n END\n\n\n" }, { "path": "CCTM/src/gas/ebi_cracmm1amore_aq/hrg2.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\n SUBROUTINE HRG2( DTC )\nC**********************************************************************\nC\nC FUNCTION: To solve for the concentration of HO, HO2, HONO, and\nC HNO4 alebraically.\nC\nC PRECONDITIONS: For the CRACMM1AMORE_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 16, 2022\nC\nC 18 Jul 14 B.Hutzell: revised to use real(8) variables\nC**********************************************************************\n USE HRDATA\n\n IMPLICIT NONE\n\n\nC..INCLUDES: None\n\n\nC..ARGUMENTS:\n REAL( 8 ), INTENT( IN ) :: DTC ! Time step\n\nC..PARAMETERS: None\n\n\nC..EXTERNAL FUNCTIONS: NONE\n\n\nC..SAVED LOCAL VARIABLES:\n! CHARACTER( 16 ), SAVE :: PNAME = 'HRG2' ! Program name\n\n\nC..SCRATCH LOCAL VARIABLES:\n REAL( 8 ) :: O1D_S ! sum of O1D loss frequencies\n REAL( 8 ) :: OH_S ! stoich coeff for OH from O1D+H2O or H2\n REAL( 8 ) :: HO2_S ! stoich coeff for HO2 from O1D+H2 rxn\n REAL( 8 ) :: XOH_S ! stoich coeff for OH & HONO from NO2EX loss rxn\n REAL( 8 ) :: R4_19 ! production of OH from HONO\n REAL( 8 ) :: R19_4 ! production of HONO from OH\n REAL( 8 ) :: R4_5 ! production of OH from HO2\n REAL( 8 ) :: R5_4 ! production of HO2 from OH\n REAL( 8 ) :: R5_21 ! production of HO2 from HNO4\n REAL( 8 ) :: R21_5 ! production of HNO4 from HO2\n REAL( 8 ) :: P4, P5, P19, P21 ! species production form other paths\n REAL( 8 ) :: L4, L5, L19, L21 ! species loss terms\n\n REAL( 8 ) :: A, B, C ! coeffs of quadratic eq. for HO2\n REAL( 8 ) :: Q ! intermediate term\n\n REAL( 8 ) :: T1, T2, T3 ! intermediate terms\n\n REAL( 8 ) :: L21_INV ! reciprocal of HNO4 loss term\n\nC**********************************************************************\n\n\nc..stoichiometric coefficient for production of HOX from O3 via O1D\n O1D_S = RKI( 45 ) ! O1D=O3P\n & + RKI( 46 ) ! O1D=O3P\n & + RKI( 47 ) ! O1D=0.2000D+01*HO\n\n OH_S = 2.0000D+00 * RKI( 47 ) ! O1D=0.2000D+01*HO\n\n OH_S = OH_S / O1D_S\n\n\nc..Production of HO from HO2 (r4,5 terms )\n R4_5 = RKI( 40 ) * YC ( O3 ) ! HO2+O3=HO\n & + RKI( 55 ) * YC ( NO ) ! HO2+NO=HO+NO2\n & + 7.0000D-01 * RKI( 64 ) * YC ( NO3 ) ! HO2+NO3=0.7000D+...\n & + RKI( 94 ) * YC ( INO2 ) ! HO2+INO2=HO+IPN\n & + 4.4000D-01 * RKI( 246 ) * YC ( ACO3 ) ! HO2+ACO3=0.4400D+...\n & + 4.4000D-01 * RKI( 247 ) * YC ( RCO3 ) ! HO2+RCO3=0.4400D+...\n & + 1.5000D-01 * RKI( 248 ) * YC ( ACTP ) ! HO2+ACTP=0.1500D+...\n & + 4.0000D-01 * RKI( 405 ) * YC ( FURANO2 ) ! HO2+FURANO2=...\n\n R4_5 = R4_5 * DTC\n\nc..Production of HO from HONO (r4,19 terms )\n R4_19 = RKI( 7 ) ! HONO=HO+NO\n\n R4_19 = R4_19 * DTC\n\nc..Remaining HO production\n P4 = 2.0000D+00 * RXRAT( 3 ) ! H2O2=0.2000D+01*HO\n & + RXRAT( 8 ) ! HNO3=HO+NO2\n & + 2.0000D-01 * RXRAT( 9 ) ! HNO4=0.2000D+00*HO+0.8000D+...\n & + 3.4000D-01 * RXRAT( 22 ) ! MACR=0.3400D+00*HO+0.6600D+...\n & + RXRAT( 31 ) ! OP1=HO+HO2+HCHO\n & + RXRAT( 32 ) ! OP2=HO+HO2+ALD\n & + RXRAT( 33 ) ! OPB=HO+HO2+ALD\n & + RXRAT( 34 ) ! OP3=HO+HO2+ALD\n & + RXRAT( 35 ) ! PAA=HO+MO2\n & + OH_S * RXRAT( 2 ) ! O1D=0.2000D+01*HO\n & + 2.5000D-01 * RXRAT( 88 ) ! ISO+O3=0.2500D+00*HO+...\n & + 8.0000D-02 * RXRAT( 144 ) ! ETE+O3=0.8000D-01*HO+...\n & + 2.2000D-01 * RXRAT( 145 ) ! OLT+O3=0.2200D+00*HO+...\n & + 4.6000D-01 * RXRAT( 146 ) ! OLI+O3=0.4600D+00*HO+...\n & + 9.0000D-01 * RXRAT( 147 ) ! API+O3=0.9000D+00*HO+...\n & + 8.4000D-01 * RXRAT( 148 ) ! LIM+O3=0.8400D+00*HO+...\n & + 4.0000D-02 * RXRAT( 149 ) ! LIMAL+O3=0.4000D-01*HO+...\n & + 1.9000D-01 * RXRAT( 151 ) ! MACR+O3=0.1900D+00*HO+...\n & + 1.6000D-01 * RXRAT( 152 ) ! MVK+O3=0.1600D+00*HO+...\n & + 1.0000D-01 * RXRAT( 153 ) ! UALD+O3=0.1000D+00*HO+...\n & + 5.0000D-02 * RXRAT( 154 ) ! DCB1+O3=0.5000D-01*HO+HO2+...\n & + 5.0000D-02 * RXRAT( 155 ) ! DCB2+O3=0.5000D-01*HO+HO2+...\n & + 5.0000D-02 * RXRAT( 156 ) ! DCB3+O3=0.5000D-01*HO+HO2+...\n & + 8.2000D-01 * RXRAT( 195 ) ! APIP2+NO=0.8200D+00*HO+...\n & + 8.2000D-01 * RXRAT( 197 ) ! APINP2+NO=0.8200D+00*HO+...\n & + 7.7000D-01 * RXRAT( 199 ) ! LIMP2+NO=0.7700D+00*HO+...\n & + 7.7000D-01 * RXRAT( 201 ) ! LIMNP2+NO=0.7700D+00*HO+...\n & + 5.0000D-01 * RXRAT( 313 ) ! APIP2+ACO3=0.5000D+00*HO+...\n & + 5.0000D-01 * RXRAT( 317 ) ! LIMP2+ACO3=0.5000D+00*HO+...\n & + 4.8000D-01 * RXRAT( 376 ) ! APIP2+APIP1=0.4800D+00*HO+...\n & + 4.8000D-01 * RXRAT( 377 ) ! APIP2+LIMP1=0.4800D+00*HO+...\n & + 4.8000D-01 * RXRAT( 378 ) ! APIP2+ISOP=0.4800D+00*HO+...\n & + 4.8000D-01 * RXRAT( 379 ) ! LIMP2+APIP1=0.4800D+00*HO+...\n & + 4.8000D-01 * RXRAT( 380 ) ! LIMP2+LIMP1=0.4800D+00*HO+...\n & + 4.8000D-01 * RXRAT( 381 ) ! LIMP2+ISOP=0.4800D+00*HO+...\n & + 2.8000D-01 * RXRAT( 392 ) ! ACRO+O3=0.2800D+00*HO+...\n & + 2.0400D-01 * RXRAT( 394 ) ! ACRO=0.2040D+00*HO+0.4770D+...\n & + 8.0000D-02 * RXRAT( 401 ) ! BDE13+O3=0.8000D-01*HO+...\n & + 2.0000D-02 * RXRAT( 407 ) ! FURAN+O3=0.2000D-01*HO+ALD\n\n P4 = YC0( HO ) + P4 * DTC\n\nc..Production of HO2 from OH ( r5,4 terms )\n R5_4 = RKI( 39 ) * YC ( O3 ) ! HO+O3=HO2\n & + RKI( 48 ) ! HO=HO2\n & + RKI( 52 ) * YC ( H2O2 ) ! HO+H2O2=HO2\n & + RKI( 63 ) * YC ( NO3 ) ! HO+NO3=HO2+NO2\n & + RKI( 74 ) * YC ( SO2 ) ! HO+SO2=HO2+SULF+...\n & + RKI( 75 ) * YC ( CO ) ! HO+CO=HO2\n & + 3.5000D-01 * RKI( 83 ) * YC ( ACE ) ! HO+ACE=0.3500D+...\n & + 5.3000D-01 * RKI( 84 ) * YC ( BEN ) ! HO+BEN=0.5300D+...\n & + 1.8000D-01 * RKI( 85 ) * YC ( TOL ) ! HO+TOL=0.1800D+...\n & + 1.7000D-01 * RKI( 86 ) * YC ( XYM ) ! HO+XYM=0.1700D+...\n & + 1.8000D-01 * RKI( 87 ) * YC ( XYE ) ! HO+XYE=0.1800D+...\n & + RKI( 108 ) * YC ( HCHO ) ! HO+HCHO=HO2+CO\n & + RKI( 114 ) * YC ( HKET ) ! HO+HKET=HO2+MGLY\n & + RKI( 118 ) * YC ( GLY ) ! HO+GLY=HO2+...\n & + 5.2000D-01 * RKI( 120 ) * YC ( DCB1 ) ! HO+DCB1=0.5200D+...\n & + 5.2000D-01 * RKI( 121 ) * YC ( DCB2 ) ! HO+DCB2=0.5200D+...\n & + 5.6000D-01 * RKI( 122 ) * YC ( DCB3 ) ! HO+DCB3=0.5600D+...\n & + 6.1900D-01 * RKI( 124 ) * YC ( PHEN ) ! HO+PHEN=0.6190D+...\n & + 5.8400D-01 * RKI( 125 ) * YC ( CSL ) ! HO+CSL=0.5840D+...\n & + RKI( 127 ) * YC ( MOH ) ! HO+MOH=HO2+HCHO\n & + RKI( 128 ) * YC ( EOH ) ! HO+EOH=HO2+ACD\n & + RKI( 129 ) * YC ( ROH ) ! HO+ROH=HO2+...\n & + RKI( 130 ) * YC ( ETEG ) ! HO+ETEG=HO2+ALD\n & + RKI( 136 ) * YC ( ORA1 ) ! HO+ORA1=HO2\n & + 3.3300D-01 * RKI( 395 ) * YC ( BDE13 ) ! HO+BDE13=0.3330D+...\n & + 4.9000D-01 * RKI( 403 ) * YC ( FURAN ) ! HO+FURAN=0.4900D+...\n & + 6.6000D-01 * RKI( 406 ) * YC ( FURANONE ) ! HO+FURANONE=...\n & + RKI( 409 ) * YC ( PROG ) ! HO+PROG=HO2+...\n & + 1.6000D-01 * RKI( 483 ) * YC ( VROCP6ARO ) ! HO+VROCP6ARO=...\n & + 1.6000D-01 * RKI( 489 ) * YC ( VROCP5ARO ) ! HO+VROCP5ARO=...\n & + 1.6000D-01 * RKI( 495 ) * YC ( NAPH ) ! HO+NAPH=0.1600D+...\n\n R5_4 = R5_4 * DTC\n\nc..Production of HO2 from HNO4 (r5,21 term )\n R5_21 = 8.0000D-01 * RKI( 9 ) ! HNO4=0.8000D+...\n & + RKI( 72 ) ! HNO4=HO2+NO2\n\n R5_21 = R5_21 * DTC\n\nc..Remaining HO2 production terms\n P5 = 2.0000D+00 * RXRAT( 11 ) ! HCHO=0.2000D+01*HO2+CO\n & + RXRAT( 12 ) ! ACD=HO2+MO2+CO\n & + RXRAT( 13 ) ! ALD=HO2+ETHP+CO\n & + 1.2200D+00 * RXRAT( 16 ) ! UALD=0.1220D+01*HO2+...\n & + RXRAT( 17 ) ! PINAL=HO2+HC10P+CO\n & + RXRAT( 18 ) ! LIMAL=HO2+HC10P+CO\n & + RXRAT( 21 ) ! HKET=HO2+ACO3+HCHO\n & + 6.6000D-01 * RXRAT( 22 ) ! MACR=0.6600D+00*HO2+...\n & + 2.0000D+00 * RXRAT( 26 ) ! GLY=0.2000D+01*HO2+0.2000D+...\n & + RXRAT( 27 ) ! MGLY=HO2+ACO3+CO\n & + 1.5000D+00 * RXRAT( 28 ) ! DCB1=0.1500D+01*HO2+...\n & + 1.5000D+00 * RXRAT( 29 ) ! DCB2=0.1500D+01*HO2+...\n & + RXRAT( 30 ) ! BALD=HO2+CHO+CO\n & + RXRAT( 31 ) ! OP1=HO2+HO+HCHO\n & + RXRAT( 32 ) ! OP2=HO2+HO+ALD\n & + RXRAT( 33 ) ! OPB=HO2+HO+ALD\n & + RXRAT( 34 ) ! OP3=HO2+HO+ALD\n & + RXRAT( 36 ) ! ONIT=HO2+NO2+0.2000D+...\n & + 2.5000D-01 * RXRAT( 88 ) ! ISO+O3=0.2500D+00*HO2+...\n & + 8.8000D-01 * RXRAT( 92 ) ! ISOP+NO=0.8800D+00*HO2+...\n & + RXRAT( 95 ) ! INO2+NO=HO2+0.5000D+...\n & + 1.5000D-01 * RXRAT( 144 ) ! ETE+O3=0.1500D+00*HO2+...\n & + 3.2000D-01 * RXRAT( 145 ) ! OLT+O3=0.3200D+00*HO2+...\n & + 7.0000D-02 * RXRAT( 146 ) ! OLI+O3=0.7000D-01*HO2+...\n & + 4.0000D-02 * RXRAT( 149 ) ! LIMAL+O3=0.4000D-01*HO2+...\n & + 1.4000D-01 * RXRAT( 151 ) ! MACR+O3=0.1400D+00*HO2+...\n & + 1.1000D-01 * RXRAT( 152 ) ! MVK+O3=0.1100D+00*HO2+...\n & + 7.2000D-02 * RXRAT( 153 ) ! UALD+O3=0.7200D-01*HO2+...\n & + RXRAT( 154 ) ! DCB1+O3=HO2+0.5000D-01*HO+...\n & + RXRAT( 155 ) ! DCB2+O3=HO2+0.5000D-01*HO+...\n & + RXRAT( 156 ) ! DCB3+O3=HO2+0.5000D-01*HO+...\n & + RXRAT( 164 ) ! HCHO+NO3=HO2+CO+HNO3\n & + RXRAT( 168 ) ! UALD+NO3=HO2+XO2+0.6680D+...\n & + RXRAT( 169 ) ! GLY+NO3=HO2+0.2000D+01*CO+HNO3\n & + RXRAT( 183 ) ! MO2+NO=HO2+NO2+HCHO\n & + RXRAT( 184 ) ! ETHP+NO=HO2+NO2+ACD\n & + 6.6000D-01 * RXRAT( 185 ) ! HC3P+NO=0.6600D+00*HO2+...\n & + 2.0000D-01 * RXRAT( 186 ) ! HC5P+NO=0.2000D+00*HO2+...\n & + RXRAT( 187 ) ! ETEP+NO=HO2+NO2+0.1600D+...\n & + 7.8000D-01 * RXRAT( 188 ) ! OLTP+NO=0.7800D+00*HO2+...\n & + 8.3000D-01 * RXRAT( 189 ) ! OLIP+NO=0.8300D+00*HO2+...\n & + 9.9800D-01 * RXRAT( 190 ) ! BENP+NO=0.9980D+00*HO2+...\n & + 9.9800D-01 * RXRAT( 191 ) ! TOLP+NO=0.9980D+00*HO2+...\n & + 9.9800D-01 * RXRAT( 192 ) ! XYMP+NO=0.9980D+00*HO2+...\n & + 9.9800D-01 * RXRAT( 193 ) ! XYEP+NO=0.9980D+00*HO2+...\n & + 8.2000D-01 * RXRAT( 194 ) ! APIP1+NO=0.8200D+00*HO2+...\n & + 7.7000D-01 * RXRAT( 198 ) ! LIMP1+NO=0.7700D+00*HO2+...\n & + 9.5000D-01 * RXRAT( 202 ) ! PINALP+NO=0.9500D+00*HO2+...\n & + 9.4000D-01 * RXRAT( 203 ) ! LIMALP+NO=0.9400D+00*HO2+...\n & + 6.7000D-01 * RXRAT( 207 ) ! MEKP+NO=0.6700D+00*HO2+NO2+...\n & + 7.7000D-01 * RXRAT( 208 ) ! KETP+NO=0.7700D+00*HO2+...\n & + 5.0000D-01 * RXRAT( 210 ) ! MCP+NO=0.5000D+00*HO2+NO2+...\n & + 3.0000D-01 * RXRAT( 211 ) ! MVKP+NO=0.3000D+00*HO2+...\n & + RXRAT( 212 ) ! UALP+NO=HO2+NO2+0.6100D+...\n & + RXRAT( 215 ) ! ADDC+NO=HO2+NO2+0.3200D+...\n & + RXRAT( 217 ) ! ORAP+NO=HO2+GLY+NO2\n & + RXRAT( 218 ) ! OLNN+NO=HO2+NO2+ONIT\n & + 7.4000D-01 * RXRAT( 263 ) ! MO2+MO2=0.7400D+00*HO2+...\n & + RXRAT( 264 ) ! ETHP+MO2=HO2+0.7500D+...\n & + 8.9400D-01 * RXRAT( 265 ) ! HC3P+MO2=0.8940D+00*HO2+...\n & + 8.4200D-01 * RXRAT( 266 ) ! HC5P+MO2=0.8420D+00*HO2+...\n & + RXRAT( 267 ) ! ETEP+MO2=HO2+0.1950D+...\n & + RXRAT( 268 ) ! OLTP+MO2=HO2+0.1500D+...\n & + RXRAT( 269 ) ! OLIP+MO2=HO2+0.7500D+...\n & + 1.3700D+00 * RXRAT( 270 ) ! BENP+MO2=0.1370D+01*HO2+...\n & + 1.2846D+00 * RXRAT( 271 ) ! TOLP+MO2=0.1285D+01*HO2+...\n & + 1.3218D+00 * RXRAT( 272 ) ! XYMP+MO2=0.1322D+01*HO2+...\n & + 1.2846D+00 * RXRAT( 273 ) ! XYEP+MO2=0.1285D+01*HO2+...\n & + RXRAT( 274 ) ! ISOP+MO2=HO2+0.1310D+...\n & + RXRAT( 275 ) ! APIP1+MO2=HO2+0.6800D+...\n & + RXRAT( 276 ) ! APIP2+MO2=HO2+0.7500D+...\n & + 3.7000D-01 * RXRAT( 277 ) ! APINP1+MO2=0.3700D+00*HO2+...\n & + 7.5000D-01 * RXRAT( 278 ) ! APINP2+MO2=0.7500D+00*HO2+...\n & + RXRAT( 279 ) ! LIMP1+MO2=HO2+HCHO+0.4200D+...\n & + RXRAT( 280 ) ! LIMP2+MO2=HO2+0.7500D+...\n & + 3.7000D-01 * RXRAT( 281 ) ! LIMNP1+MO2=0.3700D+00*HO2+...\n & + 7.5000D-01 * RXRAT( 282 ) ! LIMNP2+MO2=0.7500D+00*HO2+...\n & + 9.0000D-01 * RXRAT( 283 ) ! ACO3+MO2=0.9000D+00*HO2+...\n & + 9.0000D-01 * RXRAT( 284 ) ! RCO3+MO2=0.9000D+00*HO2+...\n & + 5.0000D-01 * RXRAT( 285 ) ! ACTP+MO2=0.5000D+00*HO2+...\n & + 8.3400D-01 * RXRAT( 286 ) ! MEKP+MO2=0.8340D+00*HO2+...\n & + RXRAT( 287 ) ! KETP+MO2=HO2+0.7500D+...\n & + 5.0000D-01 * RXRAT( 288 ) ! MACP+MO2=0.5000D+00*HO2+...\n & + RXRAT( 289 ) ! MCP+MO2=HO2+NO2+0.1500D+...\n & + RXRAT( 290 ) ! MVKP+MO2=HO2+0.1160D+...\n & + RXRAT( 291 ) ! UALP+MO2=HO2+0.3050D+00*CO+...\n & + RXRAT( 292 ) ! BALP+MO2=HO2+BAL1+HCHO\n & + RXRAT( 293 ) ! BAL1+MO2=HO2+BAL2+HCHO\n & + 2.0000D+00 * RXRAT( 294 ) ! ADDC+MO2=0.2000D+01*HO2+...\n & + RXRAT( 295 ) ! MCTP+MO2=HO2+MCTO+HCHO\n & + RXRAT( 296 ) ! ORAP+MO2=HO2+HCHO+GLY\n & + 2.0000D+00 * RXRAT( 297 ) ! OLNN+MO2=0.2000D+01*HO2+...\n & + 5.0000D-01 * RXRAT( 298 ) ! OLND+MO2=0.5000D+00*HO2+...\n & + RXRAT( 299 ) ! ADCN+MO2=HO2+0.7000D+...\n & + RXRAT( 300 ) ! XO2+MO2=HO2+HCHO\n & + 5.0000D-01 * RXRAT( 301 ) ! ETHP+ACO3=0.5000D+00*HO2+...\n & + 3.9400D-01 * RXRAT( 302 ) ! HC3P+ACO3=0.3940D+00*HO2+...\n & + 3.4200D-01 * RXRAT( 303 ) ! HC5P+ACO3=0.3420D+00*HO2+...\n & + 5.0000D-01 * RXRAT( 304 ) ! ETEP+ACO3=0.5000D+00*HO2+...\n & + 5.0000D-01 * RXRAT( 305 ) ! OLTP+ACO3=0.5000D+00*HO2+...\n & + 5.0000D-01 * RXRAT( 306 ) ! OLIP+ACO3=0.5000D+00*HO2+...\n & + RXRAT( 307 ) ! BENP+ACO3=HO2+0.7000D+...\n & + 9.1460D-01 * RXRAT( 308 ) ! TOLP+ACO3=0.9146D+00*HO2+...\n & + 9.5180D-01 * RXRAT( 309 ) ! XYMP+ACO3=0.9518D+00*HO2+...\n & + 9.1460D-01 * RXRAT( 310 ) ! XYEP+ACO3=0.9146D+00*HO2+...\n & + 5.0000D-01 * RXRAT( 311 ) ! ISOP+ACO3=0.5000D+00*HO2+...\n & + 6.3000D-01 * RXRAT( 312 ) ! APIP1+ACO3=0.6300D+00*HO2+...\n & + 6.3000D-01 * RXRAT( 316 ) ! LIMP1+ACO3=0.6300D+00*HO2+...\n & + 3.3000D-01 * RXRAT( 323 ) ! MEKP+ACO3=0.3300D+00*HO2+...\n & + 5.0000D-01 * RXRAT( 324 ) ! KETP+ACO3=0.5000D+00*HO2+...\n & + 5.0000D-01 * RXRAT( 326 ) ! MCP+ACO3=0.5000D+00*HO2+...\n & + 5.0000D-01 * RXRAT( 327 ) ! MVKP+ACO3=0.5000D+00*HO2+...\n & + 5.0000D-01 * RXRAT( 328 ) ! UALP+ACO3=0.5000D+00*HO2+...\n & + 2.0000D+00 * RXRAT( 331 ) ! ADDC+ACO3=0.2000D+01*HO2+...\n & + RXRAT( 332 ) ! MCTP+ACO3=HO2+MO2+MCTO\n & + RXRAT( 334 ) ! OLNN+ACO3=HO2+MO2+ONIT\n & + RXRAT( 336 ) ! ADCN+ACO3=HO2+MO2+0.7000D+...\n & + RXRAT( 339 ) ! MO2+NO3=HO2+HCHO+NO2\n & + RXRAT( 340 ) ! ETHP+NO3=HO2+NO2+ACD\n & + 2.5400D-01 * RXRAT( 341 ) ! HC3P+NO3=0.2540D+00*HO2+...\n & + 4.8800D-01 * RXRAT( 342 ) ! HC5P+NO3=0.4880D+00*HO2+...\n & + RXRAT( 343 ) ! ETEP+NO3=HO2+NO2+0.1600D+...\n & + 7.9000D-01 * RXRAT( 344 ) ! OLTP+NO3=0.7900D+00*HO2+...\n & + 8.6000D-01 * RXRAT( 345 ) ! OLIP+NO3=0.8600D+00*HO2+...\n & + RXRAT( 346 ) ! BENP+NO3=HO2+NO2+0.0000D+...\n & + 9.1460D-01 * RXRAT( 347 ) ! TOLP+NO3=0.9146D+00*HO2+...\n & + 9.5180D-01 * RXRAT( 348 ) ! XYMP+NO3=0.9518D+00*HO2+...\n & + 9.1460D-01 * RXRAT( 349 ) ! XYEP+NO3=0.9146D+00*HO2+...\n & + RXRAT( 350 ) ! ISOP+NO3=HO2+NO2+0.7500D+...\n & + RXRAT( 351 ) ! APIP1+NO3=HO2+NO2+ALD+KET\n & + RXRAT( 352 ) ! LIMP1+NO3=HO2+NO2+0.3850D+...\n & + 6.7000D-01 * RXRAT( 356 ) ! MEKP+NO3=0.6700D+00*HO2+...\n & + RXRAT( 357 ) ! KETP+NO3=HO2+NO2+DCB1\n & + RXRAT( 359 ) ! MCP+NO3=HO2+NO2+HCHO+HKET\n & + 3.0000D-01 * RXRAT( 360 ) ! MVKP+NO3=0.3000D+00*HO2+...\n & + RXRAT( 361 ) ! UALP+NO3=HO2+NO2+0.6100D+...\n & + RXRAT( 364 ) ! ADDC+NO3=HO2+NO2+0.3200D+...\n & + RXRAT( 366 ) ! ORAP+NO3=HO2+GLY+NO2\n & + RXRAT( 367 ) ! OLNN+NO3=HO2+NO2+ONIT\n & + RXRAT( 370 ) ! OLNN+OLNN=HO2+0.2000D+01*ONIT\n & + 5.0000D-01 * RXRAT( 371 ) ! OLNN+OLND=0.5000D+00*HO2+...\n & + 4.8000D-01 * RXRAT( 376 ) ! APIP2+APIP1=0.4800D+00*HO2+...\n & + 4.8000D-01 * RXRAT( 377 ) ! APIP2+LIMP1=0.4800D+00*HO2+...\n & + 4.8000D-01 * RXRAT( 378 ) ! APIP2+ISOP=0.4800D+00*HO2+...\n & + 4.8000D-01 * RXRAT( 379 ) ! LIMP2+APIP1=0.4800D+00*HO2+...\n & + 4.8000D-01 * RXRAT( 380 ) ! LIMP2+LIMP1=0.4800D+00*HO2+...\n & + 4.8000D-01 * RXRAT( 381 ) ! LIMP2+ISOP=0.4800D+00*HO2+...\n & + 4.8000D-01 * RXRAT( 382 ) ! APINP2+APIP1=0.4800D+...\n & + 4.8000D-01 * RXRAT( 383 ) ! APINP2+LIMP1=0.4800D+...\n & + 4.8000D-01 * RXRAT( 384 ) ! APINP2+ISOP=0.4800D+00*HO2+...\n & + 4.8000D-01 * RXRAT( 385 ) ! LIMNP2+APIP1=0.4800D+...\n & + 4.8000D-01 * RXRAT( 386 ) ! LIMNP2+LIMP1=0.4800D+...\n & + 4.8000D-01 * RXRAT( 387 ) ! LIMNP2+ISOP=0.4800D+00*HO2+...\n & + 5.6000D-01 * RXRAT( 392 ) ! ACRO+O3=0.5600D+00*HO2+...\n & + 4.7700D-01 * RXRAT( 394 ) ! ACRO=0.4770D+00*HO2+...\n & + 9.6800D-01 * RXRAT( 396 ) ! BDE13P+NO=0.9680D+00*HO2+...\n & + RXRAT( 397 ) ! BDE13P+NO3=HO2+NO2+0.9250D+...\n & + 8.7000D-01 * RXRAT( 399 ) ! BDE13P+MO2=0.8700D+00*HO2+...\n & + 8.0000D-01 * RXRAT( 400 ) ! BDE13P+ACO3=0.8000D+00*HO2+...\n & + 4.2000D-01 * RXRAT( 401 ) ! BDE13+O3=0.4200D+00*HO2+...\n & + 7.5000D-01 * RXRAT( 404 ) ! FURANO2+NO=0.7500D+00*HO2+...\n & + RXRAT( 455 ) ! VROCP6ALKP2=HO2+VROCP3OXY2\n & + RXRAT( 456 ) ! VROCP5ALKP2=HO2+VROCP2OXY2\n & + RXRAT( 457 ) ! VROCP4ALKP2=HO2+VROCP1OXY1\n & + RXRAT( 458 ) ! VROCP3ALKP2=HO2+VROCP0OXY2\n & + RXRAT( 459 ) ! VROCP2ALKP2=HO2+VROCN1OXY1\n & + RXRAT( 460 ) ! VROCP1ALKP2=HO2+VROCN2OXY2\n & + RXRAT( 461 ) ! HC10P2=HO2+VROCP4OXY2\n & + 8.6000D-01 * RXRAT( 462 ) ! VROCP6ALKP2+NO=0.8600D+...\n & + 8.6000D-01 * RXRAT( 463 ) ! VROCP5ALKP2+NO=0.8600D+...\n & + 8.6000D-01 * RXRAT( 464 ) ! VROCP4ALKP2+NO=0.8600D+...\n & + 8.6000D-01 * RXRAT( 465 ) ! VROCP3ALKP2+NO=0.8600D+...\n & + 8.6000D-01 * RXRAT( 466 ) ! VROCP2ALKP2+NO=0.8600D+...\n & + 8.6000D-01 * RXRAT( 467 ) ! VROCP1ALKP2+NO=0.8600D+...\n & + 8.8000D-01 * RXRAT( 468 ) ! HC10P2+NO=0.8800D+00*HO2+...\n & + RXRAT( 469 ) ! VROCP6ALKP2+NO3=HO2+...\n & + RXRAT( 470 ) ! VROCP5ALKP2+NO3=HO2+...\n & + RXRAT( 471 ) ! VROCP4ALKP2+NO3=HO2+...\n & + RXRAT( 472 ) ! VROCP3ALKP2+NO3=HO2+...\n & + RXRAT( 473 ) ! VROCP2ALKP2+NO3=HO2+...\n & + RXRAT( 474 ) ! VROCP1ALKP2+NO3=HO2+...\n & + RXRAT( 475 ) ! HC10P2+NO3=HO2+KET+NO2\n & + 9.9800D-01 * RXRAT( 485 ) ! VROCP6AROP+NO=0.9980D+...\n & + 9.4050D-01 * RXRAT( 486 ) ! VROCP6AROP+NO3=0.9405D+...\n & + 1.3105D+00 * RXRAT( 487 ) ! VROCP6AROP+MO2=0.1310D+...\n & + 9.4050D-01 * RXRAT( 488 ) ! VROCP6AROP+ACO3=0.9405D+...\n & + 9.9800D-01 * RXRAT( 491 ) ! VROCP5AROP+NO=0.9980D+...\n & + 9.4050D-01 * RXRAT( 492 ) ! VROCP5AROP+NO3=0.9405D+...\n & + 1.3105D+00 * RXRAT( 493 ) ! VROCP5AROP+MO2=0.1310D+...\n & + 9.4050D-01 * RXRAT( 494 ) ! VROCP5AROP+ACO3=0.9405D+...\n & + 9.9800D-01 * RXRAT( 497 ) ! NAPHP+NO=0.9980D+00*HO2+...\n & + 9.4050D-01 * RXRAT( 498 ) ! NAPHP+NO3=0.9405D+00*HO2+...\n & + 1.3105D+00 * RXRAT( 499 ) ! NAPHP+MO2=0.1310D+01*HO2+...\n & + 9.4050D-01 * RXRAT( 500 ) ! NAPHP+ACO3=0.9405D+00*HO2+...\n\n P5 = YC0( HO2 ) + P5 * DTC\n\nc..Production of HONO from OH (r19,4 terms )\n\n R19_4 = RKI( 54 ) * YC( NO ) * DTC ! OH+NO=HONO\n\nc..Remaining HONO production terms\n P19 = 5.0000D-01 * RXRAT( 422 ) ! NO2=0.5000D+00*HONO+...\n\n P19 = YC0( HONO ) + P19 * DTC\n\nc..Production of HNO4 from HO2 (r21,5 term )\n\n R21_5 = RKI( 71 ) * YCP( NO2 ) * DTC ! HO2+NO2=HNO4\n\nc..Remaining HNO4 production terms\n P21 = YC0( HNO4 )\n\nc..HO loss terms not in R5_4 & R19_4\n L4 = RKI( 49 ) * YC ( HO2 ) ! HO+HO2=\n & + RKI( 58 ) * YC ( HONO ) ! HO+HONO=NO2\n & + RKI( 61 ) * YC ( NO2 ) ! HO+NO2=HNO3\n & + RKI( 62 ) * YC ( HNO3 ) ! HO+HNO3=NO3\n & + RKI( 73 ) * YC ( HNO4 ) ! HO+HNO4=NO2\n & + RKI( 76 ) ! HO=MO2\n & + RKI( 77 ) * YC ( ETH ) ! HO+ETH=ETHP\n & + RKI( 78 ) * YC ( HC3 ) ! HO+HC3=HC3P+...\n & + RKI( 79 ) * YC ( HC5 ) ! HO+HC5=HC5P+...\n & + RKI( 80 ) * YC ( ETE ) ! HO+ETE=ETEP\n & + RKI( 81 ) * YC ( OLT ) ! HO+OLT=OLTP\n & + RKI( 82 ) * YC ( OLI ) ! HO+OLI=OLIP\n & + 4.7000D-01 * RKI( 84 ) * YC ( BEN ) ! HO+BEN=0.5300D+...\n & + 8.2000D-01 * RKI( 85 ) * YC ( TOL ) ! HO+TOL=0.1800D+...\n & + 8.3000D-01 * RKI( 86 ) * YC ( XYM ) ! HO+XYM=0.1700D+...\n & + 8.2000D-01 * RKI( 87 ) * YC ( XYE ) ! HO+XYE=0.1800D+...\n & + RKI( 90 ) * YC ( ISO ) ! HO+ISO=ISOP+...\n & + RKI( 93 ) * YC ( ISHP ) ! HO+ISHP=ISOP\n & + 2.0000D-01 * RKI( 98 ) * YC ( ISHP ) ! HO+ISHP=0.1500D+...\n & + RKI( 101 ) * YC ( NALD ) ! HO+NALD=CO+...\n & + RKI( 104 ) * YC ( API ) ! HO+API=0.9750D+...\n & + RKI( 105 ) * YC ( LIM ) ! HO+LIM=0.9450D+...\n & + RKI( 106 ) * YC ( PINAL ) ! HO+PINAL=0.2300D+...\n & + RKI( 107 ) * YC ( LIMAL ) ! HO+LIMAL=0.7000D+...\n & + RKI( 109 ) * YC ( ACD ) ! HO+ACD=ACO3\n & + RKI( 110 ) * YC ( ALD ) ! HO+ALD=RCO3\n & + RKI( 111 ) * YC ( ACT ) ! HO+ACT=ACTP\n & + RKI( 112 ) * YC ( MEK ) ! HO+MEK=MEKP\n & + RKI( 113 ) * YC ( KET ) ! HO+KET=KETP\n & + RKI( 115 ) * YC ( MACR ) ! HO+MACR=0.5700D+...\n & + RKI( 116 ) * YC ( MVK ) ! HO+MVK=MVKP\n & + RKI( 117 ) * YC ( UALD ) ! HO+UALD=0.3130D+...\n & + RKI( 119 ) * YC ( MGLY ) ! HO+MGLY=ACO3+CO\n & + 4.8000D-01 * RKI( 120 ) * YC ( DCB1 ) ! HO+DCB1=0.5200D+...\n & + 4.8000D-01 * RKI( 121 ) * YC ( DCB2 ) ! HO+DCB2=0.5200D+...\n & + 4.4000D-01 * RKI( 122 ) * YC ( DCB3 ) ! HO+DCB3=0.5600D+...\n & + RKI( 123 ) * YC ( BALD ) ! HO+BALD=BALP\n & + 3.8100D-01 * RKI( 124 ) * YC ( PHEN ) ! HO+PHEN=0.6190D+...\n & + 4.1600D-01 * RKI( 125 ) * YC ( CSL ) ! HO+CSL=0.5840D+...\n & + RKI( 126 ) * YC ( MCT ) ! HO+MCT=MCTO\n & + 6.5000D-01 * RKI( 131 ) * YC ( OP1 ) ! HO+OP1=0.3500D+...\n & + 9.9000D-01 * RKI( 132 ) * YC ( OP2 ) ! HO+OP2=0.1000D-...\n & + 9.9000D-01 * RKI( 133 ) * YC ( OPB ) ! HO+OPB=0.1000D-...\n & + 9.9000D-01 * RKI( 134 ) * YC ( OP3 ) ! HO+OP3=0.1000D-...\n & + RKI( 135 ) * YC ( MAHP ) ! HO+MAHP=MACP\n & + RKI( 137 ) * YC ( ORA2 ) ! HO+ORA2=0.6400D+...\n & + 6.5000D-01 * RKI( 138 ) * YC ( PAA ) ! HO+PAA=0.3500D+...\n & + RKI( 139 ) * YC ( PAN ) ! HO+PAN=XO2+NO3+HCHO\n & + RKI( 140 ) * YC ( PPN ) ! HO+PPN=XO2+NO3+HCHO\n & + RKI( 141 ) * YC ( MPAN ) ! HO+MPAN=NO2+HKET\n & + RKI( 142 ) * YC ( ONIT ) ! HO+ONIT=HC3P+NO2\n & + RKI( 143 ) * YC ( TRPN ) ! HO+TRPN=HOM\n & + RKI( 389 ) * YC ( VROCIOXY ) ! HO+VROCIOXY=...\n & + RKI( 390 ) * YC ( SLOWROC ) ! HO+SLOWROC=ETHP+...\n & + RKI( 391 ) * YC ( ACRO ) ! HO+ACRO=0.5700D+...\n & + 6.6700D-01 * RKI( 395 ) * YC ( BDE13 ) ! HO+BDE13=0.3330D+...\n & + 5.1000D-01 * RKI( 403 ) * YC ( FURAN ) ! HO+FURAN=0.4900D+...\n & + 3.4000D-01 * RKI( 406 ) * YC ( FURANONE ) ! HO+FURANONE=...\n & + RKI( 415 ) * YC ( SESQ ) ! HO+SESQ=SESQRO2\n & + RKI( 427 ) * YC ( VROCP6ALK ) ! HO+VROCP6ALK=...\n & + RKI( 428 ) * YC ( VROCP5ALK ) ! HO+VROCP5ALK=...\n & + RKI( 429 ) * YC ( VROCP4ALK ) ! HO+VROCP4ALK=...\n & + RKI( 430 ) * YC ( VROCP3ALK ) ! HO+VROCP3ALK=...\n & + RKI( 431 ) * YC ( VROCP2ALK ) ! HO+VROCP2ALK=...\n & + RKI( 432 ) * YC ( VROCP1ALK ) ! HO+VROCP1ALK=...\n & + RKI( 433 ) * YC ( HC10 ) ! HO+HC10=HC10P\n & + 8.4000D-01 * RKI( 483 ) * YC ( VROCP6ARO ) ! HO+VROCP6ARO=...\n & + 8.4000D-01 * RKI( 489 ) * YC ( VROCP5ARO ) ! HO+VROCP5ARO=...\n & + 8.4000D-01 * RKI( 495 ) * YC ( NAPH ) ! HO+NAPH=0.1600D+...\n\n L4 = 1.0D0 + L4 * DTC + R5_4 + R19_4\n\nc..HO2 loss terms not included in R4_5 & R21_5 (except for HO2+HO2 )\n L5 = RKI( 49 ) * YC ( HO ) ! HO2+HO=\n & + RKI( 56 ) * YC ( NO ) ! HO2+NO=HNO3\n & + 3.0000D-01 * RKI( 64 ) * YC ( NO3 ) ! HO2+NO3=0.7000D+...\n & + 4.0000D-01 * RKI( 91 ) * YC ( ISOP ) ! HO2+ISOP=ISHP+...\n & + RKI( 225 ) * YC ( MO2 ) ! HO2+MO2=OP1\n & + RKI( 226 ) * YC ( ETHP ) ! HO2+ETHP=OP2\n & + RKI( 227 ) * YC ( HC3P ) ! HO2+HC3P=OP2\n & + RKI( 228 ) * YC ( HC5P ) ! HO2+HC5P=OP2\n & + RKI( 229 ) * YC ( ETEP ) ! HO2+ETEP=OP2\n & + RKI( 230 ) * YC ( OLTP ) ! HO2+OLTP=OP2\n & + RKI( 231 ) * YC ( OLIP ) ! HO2+OLIP=OP2\n & + RKI( 232 ) * YC ( BENP ) ! HO2+BENP=0.6021D+...\n & + RKI( 233 ) * YC ( TOLP ) ! HO2+TOLP=0.7195D+...\n & + RKI( 234 ) * YC ( XYMP ) ! HO2+XYMP=0.4820D-...\n & + RKI( 235 ) * YC ( XYEP ) ! HO2+XYEP=0.8540D-...\n & + RKI( 236 ) * YC ( APIP1 ) ! HO2+APIP1=OPB\n & + RKI( 237 ) * YC ( APIP2 ) ! HO2+APIP2=HOM\n & + RKI( 238 ) * YC ( APINP1 ) ! HO2+APINP1=TRPN\n & + RKI( 239 ) * YC ( APINP2 ) ! HO2+APINP2=HOM\n & + RKI( 240 ) * YC ( LIMP1 ) ! HO2+LIMP1=OPB\n & + RKI( 241 ) * YC ( LIMP2 ) ! HO2+LIMP2=HOM\n & + RKI( 242 ) * YC ( LIMNP1 ) ! HO2+LIMNP1=TRPN\n & + RKI( 243 ) * YC ( LIMNP2 ) ! HO2+LIMNP2=HOM\n & + RKI( 244 ) * YC ( PINALP ) ! HO2+PINALP=OPB\n & + RKI( 245 ) * YC ( LIMALP ) ! HO2+LIMALP=OPB\n & + 5.6000D-01 * RKI( 246 ) * YC ( ACO3 ) ! HO2+ACO3=0.4400D+...\n & + 5.6000D-01 * RKI( 247 ) * YC ( RCO3 ) ! HO2+RCO3=0.4400D+...\n & + 8.5000D-01 * RKI( 248 ) * YC ( ACTP ) ! HO2+ACTP=0.1500D+...\n & + RKI( 249 ) * YC ( MEKP ) ! HO2+MEKP=OP2\n & + RKI( 250 ) * YC ( KETP ) ! HO2+KETP=OP2\n & + RKI( 251 ) * YC ( MACP ) ! HO2+MACP=MAHP\n & + RKI( 252 ) * YC ( MCP ) ! HO2+MCP=MAHP\n & + RKI( 253 ) * YC ( MVKP ) ! HO2+MVKP=OP2\n & + RKI( 254 ) * YC ( UALP ) ! HO2+UALP=OP2\n & + RKI( 255 ) * YC ( ADDC ) ! HO2+ADDC=OP2\n & + RKI( 256 ) * YC ( CHO ) ! HO2+CHO=CSL\n & + RKI( 257 ) * YC ( MCTP ) ! HO2+MCTP=OP2\n & + RKI( 258 ) * YC ( ORAP ) ! HO2+ORAP=OP2\n & + RKI( 259 ) * YC ( OLNN ) ! HO2+OLNN=ONIT\n & + RKI( 260 ) * YC ( OLND ) ! HO2+OLND=ONIT\n & + RKI( 261 ) * YC ( ADCN ) ! HO2+ADCN=OP2\n & + RKI( 262 ) * YC ( XO2 ) ! HO2+XO2=OP2\n & + RKI( 398 ) * YC ( BDE13P ) ! HO2+BDE13P=OP2\n & + 2.8000D-01 * RKI( 405 ) * YC ( FURANO2 ) ! HO2+FURANO2=...\n & + RKI( 411 ) * YC ( SESQNRO2 ) ! HO2+SESQNRO2=...\n & + RKI( 416 ) * YC ( SESQRO2 ) ! HO2+SESQRO2=...\n & + RKI( 448 ) * YC ( VROCP6ALKP ) ! HO2+VROCP6ALKP=...\n & + RKI( 449 ) * YC ( VROCP5ALKP ) ! HO2+VROCP5ALKP=...\n & + RKI( 450 ) * YC ( VROCP4ALKP ) ! HO2+VROCP4ALKP=...\n & + RKI( 451 ) * YC ( VROCP3ALKP ) ! HO2+VROCP3ALKP=...\n & + RKI( 452 ) * YC ( VROCP2ALKP ) ! HO2+VROCP2ALKP=...\n & + RKI( 453 ) * YC ( VROCP1ALKP ) ! HO2+VROCP1ALKP=...\n & + RKI( 454 ) * YC ( HC10P ) ! HO2+HC10P=OP2\n & + RKI( 476 ) * YC ( VROCP6ALKP2 ) ! HO2+VROCP6ALKP2=...\n & + RKI( 477 ) * YC ( VROCP5ALKP2 ) ! HO2+VROCP5ALKP2=...\n & + RKI( 478 ) * YC ( VROCP4ALKP2 ) ! HO2+VROCP4ALKP2=...\n & + RKI( 479 ) * YC ( VROCP3ALKP2 ) ! HO2+VROCP3ALKP2=...\n & + RKI( 480 ) * YC ( VROCP2ALKP2 ) ! HO2+VROCP2ALKP2=...\n & + RKI( 481 ) * YC ( VROCP1ALKP2 ) ! HO2+VROCP1ALKP2=...\n & + RKI( 482 ) * YC ( HC10P2 ) ! HO2+HC10P2=...\n & + RKI( 484 ) * YC ( VROCP6AROP ) ! HO2+VROCP6AROP=...\n & + RKI( 490 ) * YC ( VROCP5AROP ) ! HO2+VROCP5AROP=...\n & + RKI( 496 ) * YC ( NAPHP ) ! HO2+NAPHP=...\n\n L5 = 1.0D0 + L5 * DTC + R4_5 + R21_5\n\nc..HONO loss terms not included in R4_19\n L19 = RKI( 58 ) * YC ( HO ) ! HONO+HO=NO2\n\n L19 = 1.0D0 + L19 * DTC + R4_19\n\nc..HNO4 loss terms not included in R5_21\n L21 = 2.0000D-01 * RKI( 9 ) ! HNO4=0.8000D+...\n & + RKI( 73 ) * YC ( HO ) ! HNO4+HO=NO2\n\n L21 = 1.0D0 + L21 * DTC + R5_21\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Solution section\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\nc..compute terms used to calculate a,b & c\n L21_INV = 1.0D0 / L21\n T1 = 1.0D0 / ( L4 * L19 - R4_19 * R19_4 )\n T2 = R5_4 * T1\n T3 = R5_21 * L21_INV\n\nc..solve quadratic equation for HO2\n A = 2.0D0 * ( RKI( 50 ) + RKI( 51 ) ) * DTC\n\n B = L5 - T3 * R21_5 - T2 * R4_5 * L19\n\n C = P5 + T3 * P21 + T2 * ( P4 * L19 + P19 * R4_19 )\n\n Q = -0.5D0 * ( B + SIGN( 1.0D0, B ) * SQRT( B * B + 4.0D0 * A * C ) )\n\n YCP( HO2 ) = MAX( Q / A , -C / Q )\n\nc..compute remaining species concentrations\n YCP( HO ) = ( ( P4 + R4_5 * YCP( HO2 ) ) * L19 + R4_19 * P19 ) * T1\n\n YCP( HNO4 ) = ( P21 + R21_5 * YCP( HO2 ) ) * L21_INV\n\n YCP( HONO ) = ( P19 + R19_4 * YCP( HO ) ) / L19\n\n RETURN\n\n END\n\n\n" }, { "path": "CCTM/src/gas/ebi_cracmm1amore_aq/hrg3.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE HRG3( DTC )\n\nC**********************************************************************\nC\nC FUNCTION: To solve for the concentration of C2O3 and PAN\nC\nC PRECONDITIONS: For the CRACMM1AMORE_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 16, 2022\nC\nC 18 Jul 14 B.Hutzell: revised to use real(8) variables\nC**********************************************************************\n USE HRDATA\n\n IMPLICIT NONE\n\nC..INCLUDES: NONE\n\nC..ARGUMENTS:\n REAL( 8 ), INTENT( IN ) :: DTC ! Time step\n\n\nC..PARAMETERS: NONE\n\n\nC..EXTERNAL FUNCTIONS: NONE\n\n\nC..SAVED LOCAL VARIABLES:\n! CHARACTER( 16 ), SAVE :: PNAME = 'HRG3' ! Program name\n\n\nC..SCRATCH LOCAL VARIABLES:\n REAL( 8 ) :: A, B, C, Q ! Quadratic equation terms\n REAL( 8 ) :: CMN ! Temp scalar\n REAL( 8 ) :: L8 ! Loss of CCO_O2\n REAL( 8 ) :: L9 ! Loss of PAN\n REAL( 8 ) :: P8 ! Production of CCO_O2\n\n REAL( 8 ) :: K8_8 ! Kaco3+aco3 * delta t\n REAL( 8 ) :: R8_9 ! Kpan-->aco3 * delta t\n REAL( 8 ) :: R9_8 ! Kaco3+no2-->pan * [NO2] * delta t\n\nC**********************************************************************\n\n\nc..Production of ACO3 (except from PAN )\n P8 = RXRAT( 14 ) ! ACT=ACO3+MO2\n & + 7.8400D-01 * RXRAT( 16 ) ! UALD=0.7840D+00*ACO3+...\n & + 9.0000D-01 * RXRAT( 19 ) ! MEK=0.9000D+00*ACO3+ETHP+...\n & + 5.0000D-01 * RXRAT( 20 ) ! KET=0.5000D+00*ACO3+...\n & + RXRAT( 21 ) ! HKET=ACO3+HO2+HCHO\n & + 6.7000D-01 * RXRAT( 22 ) ! MACR=0.6700D+00*ACO3+...\n & + RXRAT( 27 ) ! MGLY=ACO3+HO2+CO\n & + 2.5000D-01 * RXRAT( 28 ) ! DCB1=0.2500D+00*ACO3+...\n & + 2.5000D-01 * RXRAT( 29 ) ! DCB2=0.2500D+00*ACO3+...\n & + 1.0000D-01 * RXRAT( 88 ) ! ISO+O3=0.1000D+00*ACO3+...\n & + 6.0000D-02 * RXRAT( 99 ) ! ISHP=0.6000D-01*ACO3+...\n & + RXRAT( 109 ) ! ACD+HO=ACO3\n & + 3.1300D-01 * RXRAT( 117 ) ! UALD+HO=0.3130D+00*ACO3+...\n & + RXRAT( 119 ) ! MGLY+HO=ACO3+CO\n & + 6.5000D-01 * RXRAT( 138 ) ! PAA+HO=0.6500D+00*ACO3+...\n & + 9.0000D-02 * RXRAT( 146 ) ! OLI+O3=0.9000D-01*ACO3+...\n & + 1.0000D-01 * RXRAT( 151 ) ! MACR+O3=0.1000D+00*ACO3+...\n & + 2.8000D-01 * RXRAT( 152 ) ! MVK+O3=0.2800D+00*ACO3+...\n & + 2.0000D-03 * RXRAT( 153 ) ! UALD+O3=0.2000D-02*ACO3+...\n & + RXRAT( 165 ) ! ACD+NO3=ACO3+HNO3\n & + RXRAT( 170 ) ! MGLY+NO3=ACO3+CO+HNO3\n & + RXRAT( 206 ) ! ACTP+NO=ACO3+NO2+HCHO\n & + 2.3000D-01 * RXRAT( 208 ) ! KETP+NO=0.2300D+00*ACO3+...\n & + 3.5000D-01 * RXRAT( 209 ) ! MACP+NO=0.3500D+00*ACO3+...\n & + 7.0000D-01 * RXRAT( 211 ) ! MVKP+NO=0.7000D+00*ACO3+...\n & + 1.5000D-01 * RXRAT( 248 ) ! ACTP+HO2=0.1500D+00*ACO3+...\n & + 5.0000D-01 * RXRAT( 285 ) ! ACTP+MO2=0.5000D+00*ACO3+...\n & + 2.6900D-01 * RXRAT( 288 ) ! MACP+MO2=0.2690D+00*ACO3+...\n & + 1.1600D+00 * RXRAT( 290 ) ! MVKP+MO2=0.1160D+01*ACO3+...\n & + 1.6000D-01 * RXRAT( 327 ) ! MVKP+ACO3=0.1160D+01*ACO3+...\n & + RXRAT( 355 ) ! ACTP+NO3=ACO3+NO2+HCHO\n & + 5.3800D-01 * RXRAT( 358 ) ! MACP+NO3=0.5380D+00*ACO3+...\n & + 7.0000D-01 * RXRAT( 360 ) ! MVKP+NO3=0.7000D+00*ACO3+...\n & + 3.5400D-01 * RXRAT( 394 ) ! ACRO=0.3540D+00*ACO3+...\n\nc..Loss frequency of ACO3 ( not including ACO3 + ACO3 )\n L8 = RKI( 177 ) * YC ( NO2 ) ! ACO3+NO2=PAN\n & + RKI( 204 ) * YC ( NO ) ! ACO3+NO=MO2+NO2\n & + RKI( 246 ) * YC ( HO2 ) ! ACO3+HO2=0.4400D+...\n & + RKI( 283 ) * YC ( MO2 ) ! ACO3+MO2=0.9000D+...\n & + RKI( 301 ) * YC ( ETHP ) ! ACO3+ETHP=...\n & + RKI( 302 ) * YC ( HC3P ) ! ACO3+HC3P=...\n & + RKI( 303 ) * YC ( HC5P ) ! ACO3+HC5P=...\n & + RKI( 304 ) * YC ( ETEP ) ! ACO3+ETEP=...\n & + RKI( 305 ) * YC ( OLTP ) ! ACO3+OLTP=...\n & + RKI( 306 ) * YC ( OLIP ) ! ACO3+OLIP=...\n & + RKI( 307 ) * YC ( BENP ) ! ACO3+BENP=...\n & + RKI( 308 ) * YC ( TOLP ) ! ACO3+TOLP=...\n & + RKI( 309 ) * YC ( XYMP ) ! ACO3+XYMP=...\n & + RKI( 310 ) * YC ( XYEP ) ! ACO3+XYEP=...\n & + RKI( 311 ) * YC ( ISOP ) ! ACO3+ISOP=...\n & + RKI( 312 ) * YC ( APIP1 ) ! ACO3+APIP1=...\n & + RKI( 313 ) * YC ( APIP2 ) ! ACO3+APIP2=...\n & + RKI( 314 ) * YC ( APINP1 ) ! ACO3+APINP1=...\n & + RKI( 315 ) * YC ( APINP2 ) ! ACO3+APINP2=...\n & + RKI( 316 ) * YC ( LIMP1 ) ! ACO3+LIMP1=...\n & + RKI( 317 ) * YC ( LIMP2 ) ! ACO3+LIMP2=...\n & + RKI( 318 ) * YC ( LIMNP1 ) ! ACO3+LIMNP1=...\n & + RKI( 319 ) * YC ( LIMNP2 ) ! ACO3+LIMNP2=...\n & + RKI( 321 ) * YC ( RCO3 ) ! ACO3+RCO3=MO2+ETHP\n & + 5.0000D-01 * RKI( 322 ) * YC ( ACTP ) ! ACO3+ACTP=...\n & + RKI( 323 ) * YC ( MEKP ) ! ACO3+MEKP=...\n & + RKI( 324 ) * YC ( KETP ) ! ACO3+KETP=...\n & + 7.3100D-01 * RKI( 325 ) * YC ( MACP ) ! ACO3+MACP=...\n & + RKI( 326 ) * YC ( MCP ) ! ACO3+MCP=NO2+...\n & + RKI( 328 ) * YC ( UALP ) ! ACO3+UALP=...\n & + RKI( 329 ) * YC ( BALP ) ! ACO3+BALP=MO2+BAL1\n & + RKI( 330 ) * YC ( BAL1 ) ! ACO3+BAL1=MO2+BAL2\n & + RKI( 331 ) * YC ( ADDC ) ! ACO3+ADDC=...\n & + RKI( 332 ) * YC ( MCTP ) ! ACO3+MCTP=HO2+...\n & + RKI( 333 ) * YC ( ORAP ) ! ACO3+ORAP=MO2+GLY\n & + RKI( 334 ) * YC ( OLNN ) ! ACO3+OLNN=HO2+...\n & + RKI( 335 ) * YC ( OLND ) ! ACO3+OLND=...\n & + RKI( 336 ) * YC ( ADCN ) ! ACO3+ADCN=HO2+...\n & + RKI( 337 ) * YC ( XO2 ) ! ACO3+XO2=MO2\n & + RKI( 353 ) * YC ( NO3 ) ! ACO3+NO3=MO2+NO2\n & + RKI( 400 ) * YC ( BDE13P ) ! ACO3+BDE13P=...\n & + RKI( 488 ) * YC ( VROCP6AROP ) ! ACO3+VROCP6AROP=...\n & + RKI( 494 ) * YC ( VROCP5AROP ) ! ACO3+VROCP5AROP=...\n & + RKI( 500 ) * YC ( NAPHP ) ! ACO3+NAPHP=...\n\nc..Loss frequency of PAN\n L9 = RKI( 37 ) ! PAN=ACO3+NO2\n & + RKI( 38 ) ! PAN=MO2+NO3\n & + RKI( 139 ) * YC ( HO ) ! PAN+HO=XO2+NO3+HCHO\n & + RKI( 178 ) ! PAN=ACO3+NO2\n\nc..K8_8, R8_9, and R9_8 terms\n K8_8 = RKI( 320 ) * DTC\n\n R8_9 = ( RKI( 37 )\n & + RKI( 178 ) ) * DTC \n\n R9_8 = ( RKI( 177 ) * YC( NO2 ) ) * DTC \n\nc..Solution of quadratic equation to get ACO3 & PAN\n CMN = 1.0 + L9 * DTC\n A = 2.0D0 * K8_8 * CMN\n B = CMN * ( 1.0D0 + L8 * DTC ) - R8_9 * R9_8\n C = CMN * ( YC0( ACO3 ) + P8 * DTC ) + R8_9 * YC0( PAN )\n\n Q = -0.5D0 * ( B + SIGN( 1.0D0, B ) * SQRT( B * B + 4.0D0 * A * C ) )\n\n YCP( ACO3 ) = MAX( Q / A , -C / Q )\n\n YCP( PAN ) = ( YC0( PAN ) + R9_8 * YCP( ACO3 ) ) / CMN\n\n RETURN\n\n END\n" }, { "path": "CCTM/src/gas/ebi_cracmm1amore_aq/hrg4.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE HRG4( DTC )\n\nC**********************************************************************\nC\nC FUNCTION: To solve for the concentration of NO3 and N2O5\nC\nC PRECONDITIONS: For the CRACMM1AMORE_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 16, 2022\nC\nC 18 Jul 14 B.Hutzell: revised to use real(8) variables\nC**********************************************************************\n USE HRDATA\n\n IMPLICIT NONE\n\n\nC..INCLUDES: NONE\n\n\nC..ARGUMENTS:\n REAL( 8 ), INTENT( IN ) :: DTC ! Time step\n\n\nC..PARAMETERS: NONE\n\n\nC..EXTERNAL FUNCTIONS: NONE\n\n\nC..SAVED LOCAL VARIABLES:\n! CHARACTER( 16 ), SAVE :: PNAME = 'HRG4' ! Program name\n\n\nC..SCRATCH LOCAL VARIABLES:\n REAL( 8 ) :: A, B, C, Q ! Quadratic equation terms\n REAL( 8 ) :: CMN ! Temp scalar\n REAL( 8 ) :: L15 ! Loss of NO3\n REAL( 8 ) :: L16 ! Loss of N2O5\n REAL( 8 ) :: P15 ! Production of NO3\n REAL( 8 ) :: K15_15 ! Kno3+no3 * delta t\n REAL( 8 ) :: R15_16 ! Kn2o5-->no3 * delta t\n REAL( 8 ) :: R16_15 ! Kno3+no2-->n2o5[NO2] * delta t\n\n\nC**********************************************************************\n\n\nc..Production of NO3 (except from N2O5 )\n P15 = 2.0000D-01 * RKI( 9 ) * YC ( HNO4 ) ! HNO4=0.2000D+00*NO3+...\n & + RKI( 38 ) * YC ( PAN ) ! PAN=NO3+MO2\n & + RKI( 42 ) * YCP( O3 ) * YCP( NO2 ) ! O3+NO2=NO3\n & + RKI( 60 ) * YCP( NO2 ) * YCP( O3P ) ! NO2+O3P=NO3\n & + RKI( 62 ) * YC ( HNO3 ) * YCP( HO ) ! HNO3+HO=NO3\n & + RKI( 139 ) * YC ( PAN ) * YCP( HO ) ! PAN+HO=NO3+XO2+HCHO\n & + RKI( 140 ) * YC ( PPN ) * YCP( HO ) ! PPN+HO=NO3+XO2+HCHO\n\nc..Loss frequency of NO3 ( except NO3 + NO3 if present )\n L15 = RKI( 5 ) ! NO3=NO\n & + RKI( 6 ) ! NO3=O3P+NO2\n & + RKI( 63 ) * YCP( HO ) ! NO3+HO=HO2+NO2\n & + RKI( 64 ) * YCP( HO2 ) ! NO3+HO2=0.7000D+...\n & + RKI( 65 ) * YCP( NO ) ! NO3+NO=0.2000D+...\n & + RKI( 66 ) * YCP( NO2 ) ! NO3+NO2=NO+NO2\n & + RKI( 68 ) * YCP( NO2 ) ! NO3+NO2=N2O5\n & + RKI( 89 ) * YC ( ISO ) ! NO3+ISO=INO2+...\n & + RKI( 102 ) * YC ( NALD ) ! NO3+NALD=CO\n & + RKI( 158 ) * YC ( ETE ) ! NO3+ETE=0.8000D+...\n & + RKI( 159 ) * YC ( OLT ) ! NO3+OLT=0.4300D+...\n & + RKI( 160 ) * YC ( OLI ) ! NO3+OLI=0.1100D+...\n & + RKI( 161 ) * YC ( API ) ! NO3+API=0.9750D+...\n & + RKI( 162 ) * YC ( LIM ) ! NO3+LIM=0.9450D+...\n & + RKI( 163 ) * YC ( TRPN ) ! NO3+TRPN=HOM\n & + RKI( 164 ) * YC ( HCHO ) ! NO3+HCHO=HO2+CO+HNO3\n & + RKI( 165 ) * YC ( ACD ) ! NO3+ACD=ACO3+HNO3\n & + RKI( 166 ) * YC ( ALD ) ! NO3+ALD=RCO3+HNO3\n & + RKI( 167 ) * YC ( MACR ) ! NO3+MACR=0.6800D+...\n & + RKI( 168 ) * YC ( UALD ) ! NO3+UALD=HO2+XO2+...\n & + RKI( 169 ) * YC ( GLY ) ! NO3+GLY=HO2+...\n & + RKI( 170 ) * YC ( MGLY ) ! NO3+MGLY=ACO3+CO+...\n & + RKI( 171 ) * YC ( PHEN ) ! NO3+PHEN=0.1520D+...\n & + RKI( 172 ) * YC ( CSL ) ! NO3+CSL=0.2000D+...\n & + RKI( 173 ) * YC ( MCT ) ! NO3+MCT=MCTO+HNO3\n & + RKI( 174 ) * YC ( MPAN ) ! NO3+MPAN=MACP+NO2\n & + RKI( 339 ) * YC ( MO2 ) ! NO3+MO2=HO2+HCHO+NO2\n & + RKI( 340 ) * YC ( ETHP ) ! NO3+ETHP=HO2+NO2+ACD\n & + RKI( 341 ) * YC ( HC3P ) ! NO3+HC3P=0.2540D+...\n & + RKI( 342 ) * YC ( HC5P ) ! NO3+HC5P=0.4880D+...\n & + RKI( 343 ) * YC ( ETEP ) ! NO3+ETEP=HO2+NO2+...\n & + RKI( 344 ) * YC ( OLTP ) ! NO3+OLTP=0.4700D+...\n & + RKI( 345 ) * YC ( OLIP ) ! NO3+OLIP=0.8600D+...\n & + RKI( 346 ) * YC ( BENP ) ! NO3+BENP=NO2+HO2+...\n & + RKI( 347 ) * YC ( TOLP ) ! NO3+TOLP=NO2+...\n & + RKI( 348 ) * YC ( XYMP ) ! NO3+XYMP=NO2+...\n & + RKI( 349 ) * YC ( XYEP ) ! NO3+XYEP=NO2+...\n & + RKI( 350 ) * YC ( ISOP ) ! NO3+ISOP=HO2+NO2+...\n & + RKI( 351 ) * YC ( APIP1 ) ! NO3+APIP1=HO2+...\n & + RKI( 352 ) * YC ( LIMP1 ) ! NO3+LIMP1=HO2+...\n & + RKI( 353 ) * YC ( ACO3 ) ! NO3+ACO3=MO2+NO2\n & + RKI( 354 ) * YC ( RCO3 ) ! NO3+RCO3=ETHP+NO2\n & + RKI( 355 ) * YC ( ACTP ) ! NO3+ACTP=ACO3+...\n & + RKI( 356 ) * YC ( MEKP ) ! NO3+MEKP=0.6700D+...\n & + RKI( 357 ) * YC ( KETP ) ! NO3+KETP=HO2+NO2+...\n & + RKI( 358 ) * YC ( MACP ) ! NO3+MACP=HCHO+...\n & + RKI( 359 ) * YC ( MCP ) ! NO3+MCP=NO2+HO2+...\n & + RKI( 360 ) * YC ( MVKP ) ! NO3+MVKP=0.3000D+...\n & + RKI( 361 ) * YC ( UALP ) ! NO3+UALP=HO2+NO2+...\n & + RKI( 362 ) * YC ( BALP ) ! NO3+BALP=BAL1+NO2\n & + RKI( 363 ) * YC ( BAL1 ) ! NO3+BAL1=BAL2+NO2\n & + RKI( 364 ) * YC ( ADDC ) ! NO3+ADDC=HO2+NO2+...\n & + RKI( 365 ) * YC ( MCTP ) ! NO3+MCTP=NO2+MCTO\n & + RKI( 366 ) * YC ( ORAP ) ! NO3+ORAP=NO2+GLY+HO2\n & + RKI( 367 ) * YC ( OLNN ) ! NO3+OLNN=HO2+NO2+...\n & + RKI( 368 ) * YC ( OLND ) ! NO3+OLND=0.2000D+...\n & + RKI( 369 ) * YC ( ADCN ) ! NO3+ADCN=0.2000D+...\n & + RKI( 373 ) * YC ( XO2 ) ! NO3+XO2=NO2\n & + RKI( 393 ) * YC ( ACRO ) ! NO3+ACRO=0.6800D+...\n & + RKI( 397 ) * YC ( BDE13P ) ! NO3+BDE13P=HO2+...\n & + RKI( 402 ) * YC ( BDE13 ) ! NO3+BDE13=...\n & + RKI( 408 ) * YC ( FURAN ) ! NO3+FURAN=NO2+...\n & + RKI( 410 ) * YC ( SESQ ) ! NO3+SESQ=SESQNRO2\n & + RKI( 413 ) * YC ( SESQNRO2 ) ! NO3+SESQNRO2=...\n & + RKI( 417 ) * YC ( SESQRO2 ) ! NO3+SESQRO2=...\n & + RKI( 441 ) * YC ( VROCP6ALKP ) ! NO3+VROCP6ALKP=...\n & + RKI( 442 ) * YC ( VROCP5ALKP ) ! NO3+VROCP5ALKP=...\n & + RKI( 443 ) * YC ( VROCP4ALKP ) ! NO3+VROCP4ALKP=...\n & + RKI( 444 ) * YC ( VROCP3ALKP ) ! NO3+VROCP3ALKP=...\n & + RKI( 445 ) * YC ( VROCP2ALKP ) ! NO3+VROCP2ALKP=...\n & + RKI( 446 ) * YC ( VROCP1ALKP ) ! NO3+VROCP1ALKP=...\n & + RKI( 447 ) * YC ( HC10P ) ! NO3+HC10P=HC10P2+NO2\n & + RKI( 469 ) * YC ( VROCP6ALKP2 ) ! NO3+VROCP6ALKP2=...\n & + RKI( 470 ) * YC ( VROCP5ALKP2 ) ! NO3+VROCP5ALKP2=...\n & + RKI( 471 ) * YC ( VROCP4ALKP2 ) ! NO3+VROCP4ALKP2=...\n & + RKI( 472 ) * YC ( VROCP3ALKP2 ) ! NO3+VROCP3ALKP2=...\n & + RKI( 473 ) * YC ( VROCP2ALKP2 ) ! NO3+VROCP2ALKP2=...\n & + RKI( 474 ) * YC ( VROCP1ALKP2 ) ! NO3+VROCP1ALKP2=...\n & + RKI( 475 ) * YC ( HC10P2 ) ! NO3+HC10P2=NO2+...\n & + RKI( 486 ) * YC ( VROCP6AROP ) ! NO3+VROCP6AROP=...\n & + RKI( 492 ) * YC ( VROCP5AROP ) ! NO3+VROCP5AROP=...\n & + RKI( 498 ) * YC ( NAPHP ) ! NO3+NAPHP=NO2+...\n\nc..Loss frequency of N2O5\n L16 = RKI( 69 ) ! N2O5=NO2+NO3\n & + RKI( 70 ) ! N2O5=0.2000D+01*HNO3\n & + RKI( 421 ) ! N2O5=0.2000D+01*HNO3\n\nc..K15_15, R15_16, and R16_15 terms\n K15_15 = RKI( 67 ) * DTC\n\n R15_16 = ( RKI( 69 ) ) * DTC \n\n\n R16_15 = RKI( 68 ) * YCP( NO2 ) * DTC\n\nc..Solution of quadratic equation to get NO3 & N2O5\n CMN = 1.0D0 + L16 * DTC\n A = 2.0D0 * K15_15 * CMN\n B = CMN * ( 1.0D0 + L15 * DTC ) - R15_16 * R16_15\n C = CMN * ( YC0( NO3 ) + P15 * DTC ) + R15_16 * YC0( N2O5 )\n\n Q = -0.5D0 * ( B + SIGN( 1.0D0, B ) * SQRT( B * B + 4.0D0 * A * C ) )\n YCP( NO3 ) = MAX( Q / A , -C / Q )\n YCP( N2O5 ) = ( YC0( N2O5 ) + R16_15 * YCP( NO3 ) ) / CMN\n\n RETURN\n\n END\n" }, { "path": "CCTM/src/gas/ebi_cracmm1amore_aq/hrinit.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\n SUBROUTINE HRINIT\nC***********************************************************************\nC\nC FUNCTION: To initialize species tolerances, arrays, and indices\nC\nC PRECONDITIONS: For the CRACMM1AMORE_AQ mechanism\nC\nC RETURN VALUES: None\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 16, 2022\nC 21 Jun 10 J.Young: convert for Namelist redesign\nC 18 Jul 14 B.Hutzell: revised to use the RXNS_DATA and RXNS_FUNCTION\nC modules instead of include files\nC***********************************************************************\n\n USE UTILIO_DEFN\n USE HRDATA\n USE RXNS_DATA\n USE RXNS_FUNCTION\n\n IMPLICIT NONE\n\nC.....INCLUDES:\n Include SUBST_CONST ! common constants\n\nC.....ARGUMENTS: NONE\n\nC.....PARAMETERS: NONE\n\n\nC.....SAVED VARIABLES:\n CHARACTER( 16 ), SAVE :: PNAME = 'HRINIT' ! Program name\n\n\nC.....LOCAL VARIABLES:\n CHARACTER( 132 ) :: MSG ! Log message\n\n INTEGER N ! Loop index\n INTEGER IOS ! Allocate error status\n\nC***********************************************************************\n\n N_SPEC = NUMB_MECH_SPC\n N_RXNS = NRXNS\n N_SPCL_RKS = 0\n ALLOCATE( RKI( NRXNS ),\n & RKI_SAV( MAX_CELLS_EBI, NRXNS ),\n & FORWARD_CONV( NUMB_MECH_SPC),\n & REVERSE_CONV( NUMB_MECH_SPC),\n & RXRAT( NRXNS ),\n & RTOL( NUMB_MECH_SPC),\n & YC( NUMB_MECH_SPC),\n & YC0( NUMB_MECH_SPC),\n & YCP( NUMB_MECH_SPC),\n & PROD( NUMB_MECH_SPC),\n & LOSS( NUMB_MECH_SPC),\n & STAT = IOS )\n\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating RKI, RXRAT, RTOL, YC, YC0, YCP, FORWARD_CONV, '\n & // 'REVERSE_CONV, PROD, LOSS, or PNEG'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n ALLOCATE( ATMPRES( MAX_CELLS_EBI ),\n & H2O ( MAX_CELLS_EBI ),\n & TEMP ( MAX_CELLS_EBI ),\n & DENSITY( MAX_CELLS_EBI ),\n & HET ( MAX_CELLS_EBI, NHETERO ),\n & RJIN ( MAX_CELLS_EBI, NPHOTAB ),\n & SEAWATER ( MAX_CELLS_EBI ) ,\n & STAT = IOS )\n\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating ATMPRES, H2O, TEMP, HET, RJIN, SEAWATER '\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n IF( NSPECIAL .GT. 0 )THEN\n ALLOCATE( SYC( MAX_CELLS_EBI, NUMB_MECH_SPC ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating SYC'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n ALLOCATE( IOLD2NEW( NUMB_MECH_SPC, 1 ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating IOLD2NEW'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n DO N = 1, NUMB_MECH_SPC\n IOLD2NEW( N, 1 ) = N\n END DO\n END IF\n\n IF( .NOT. MAP_CHEMISTRY_SPECIES() )THEN\n MSG = 'Detected above error(s) when mapping Chemistry species from CGRID species'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n\n DO N = 1, NUMB_MECH_SPC\n FORWARD_CONV( N ) = 1.0E-3 * MWAIR / SPECIES_MOLWT( N )\n REVERSE_CONV( N ) = 1.0E+3 / MWAIR * SPECIES_MOLWT( N )\n END DO\n\n! initialize all reaction rates to zero so unused array elements are defined\n\n RXRAT = 0.0D0\n\n! initialize all production and loss rates to zero so unused array elements are defined\n\n PROD = 0.0D0\n LOSS = 0.0D0\n\n NING1 = 4\n NING2 = 4\n\n ALLOCATE( YCCELL( MODEL_SPECIES), STAT = IOS ) ! array for degradation routines\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating YCCELL '\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n\nc..Allocate and define ebi species\n\n N_EBISP = 168\n ALLOCATE( EBISP( N_EBISP ), STAT = IOS ) \n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating EBISP' \n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n EBISP( 1 ) = H2O2\n EBISP( 2 ) = HNO3\n EBISP( 3 ) = HCHO\n EBISP( 4 ) = CO\n EBISP( 5 ) = ACD\n EBISP( 6 ) = MO2\n EBISP( 7 ) = ALD\n EBISP( 8 ) = ETHP\n EBISP( 9 ) = ACT\n EBISP( 10 ) = UALD\n EBISP( 11 ) = KET\n EBISP( 12 ) = PINAL\n EBISP( 13 ) = HC10P\n EBISP( 14 ) = LIMAL\n EBISP( 15 ) = MEK\n EBISP( 16 ) = HKET\n EBISP( 17 ) = MACR\n EBISP( 18 ) = MACP\n EBISP( 19 ) = XO2\n EBISP( 20 ) = MVK\n EBISP( 21 ) = GLY\n EBISP( 22 ) = MGLY\n EBISP( 23 ) = DCB1\n EBISP( 24 ) = DCB2\n EBISP( 25 ) = BALD\n EBISP( 26 ) = CHO\n EBISP( 27 ) = OP1\n EBISP( 28 ) = OP2\n EBISP( 29 ) = OPB\n EBISP( 30 ) = OP3\n EBISP( 31 ) = PAA\n EBISP( 32 ) = ONIT\n EBISP( 33 ) = SO2\n EBISP( 34 ) = SULF\n EBISP( 35 ) = SULRXN\n EBISP( 36 ) = ETH\n EBISP( 37 ) = HC3\n EBISP( 38 ) = HC3P\n EBISP( 39 ) = ASOATJ\n EBISP( 40 ) = HC5\n EBISP( 41 ) = HC5P\n EBISP( 42 ) = ETE\n EBISP( 43 ) = ETEP\n EBISP( 44 ) = OLT\n EBISP( 45 ) = OLTP\n EBISP( 46 ) = OLI\n EBISP( 47 ) = OLIP\n EBISP( 48 ) = ACE\n EBISP( 49 ) = ORA1\n EBISP( 50 ) = BEN\n EBISP( 51 ) = BENP\n EBISP( 52 ) = PHEN\n EBISP( 53 ) = TOL\n EBISP( 54 ) = TOLP\n EBISP( 55 ) = CSL\n EBISP( 56 ) = XYM\n EBISP( 57 ) = XYMP\n EBISP( 58 ) = XYE\n EBISP( 59 ) = XYEP\n EBISP( 60 ) = ISO\n EBISP( 61 ) = INO2\n EBISP( 62 ) = NALD\n EBISP( 63 ) = ISOP\n EBISP( 64 ) = ISHP\n EBISP( 65 ) = ISON\n EBISP( 66 ) = IPN\n EBISP( 67 ) = IEPOX\n EBISP( 68 ) = IPC\n EBISP( 69 ) = ROH\n EBISP( 70 ) = API\n EBISP( 71 ) = APIP1\n EBISP( 72 ) = APIP2\n EBISP( 73 ) = LIM\n EBISP( 74 ) = LIMP1\n EBISP( 75 ) = LIMP2\n EBISP( 76 ) = PINALP\n EBISP( 77 ) = RCO3\n EBISP( 78 ) = LIMALP\n EBISP( 79 ) = ACTP\n EBISP( 80 ) = MEKP\n EBISP( 81 ) = KETP\n EBISP( 82 ) = MCP\n EBISP( 83 ) = MVKP\n EBISP( 84 ) = UALP\n EBISP( 85 ) = DCB3\n EBISP( 86 ) = BALP\n EBISP( 87 ) = ADDC\n EBISP( 88 ) = MCT\n EBISP( 89 ) = MCTO\n EBISP( 90 ) = MOH\n EBISP( 91 ) = EOH\n EBISP( 92 ) = ETEG\n EBISP( 93 ) = MAHP\n EBISP( 94 ) = ORA2\n EBISP( 95 ) = ORAP\n EBISP( 96 ) = PPN\n EBISP( 97 ) = MPAN\n EBISP( 98 ) = TRPN\n EBISP( 99 ) = HOM\n EBISP( 100 ) = MCTP\n EBISP( 101 ) = OLNN\n EBISP( 102 ) = OLND\n EBISP( 103 ) = APINP1\n EBISP( 104 ) = APINP2\n EBISP( 105 ) = LIMNP1\n EBISP( 106 ) = LIMNP2\n EBISP( 107 ) = ADCN\n EBISP( 108 ) = VROCP4OXY2\n EBISP( 109 ) = VROCN1OXY6\n EBISP( 110 ) = FURANONE\n EBISP( 111 ) = VROCP3OXY2\n EBISP( 112 ) = VROCP0OXY4\n EBISP( 113 ) = BAL1\n EBISP( 114 ) = BAL2\n EBISP( 115 ) = ELHOM\n EBISP( 116 ) = VROCIOXY\n EBISP( 117 ) = SLOWROC\n EBISP( 118 ) = ACRO\n EBISP( 119 ) = BDE13\n EBISP( 120 ) = BDE13P\n EBISP( 121 ) = FURAN\n EBISP( 122 ) = FURANO2\n EBISP( 123 ) = PROG\n EBISP( 124 ) = SESQ\n EBISP( 125 ) = SESQNRO2\n EBISP( 126 ) = VROCN2OXY2\n EBISP( 127 ) = SESQRO2\n EBISP( 128 ) = VROCP0OXY2\n EBISP( 129 ) = VROCP1OXY3\n EBISP( 130 ) = AGLYJ\n EBISP( 131 ) = IEPOXP\n EBISP( 132 ) = AISO3NOSJ\n EBISP( 133 ) = ASO4J\n EBISP( 134 ) = AISO3OSJ\n EBISP( 135 ) = VROCP6ALK\n EBISP( 136 ) = VROCP6ALKP\n EBISP( 137 ) = VROCP5ALK\n EBISP( 138 ) = VROCP5ALKP\n EBISP( 139 ) = VROCP4ALK\n EBISP( 140 ) = VROCP4ALKP\n EBISP( 141 ) = VROCP3ALK\n EBISP( 142 ) = VROCP3ALKP\n EBISP( 143 ) = VROCP2ALK\n EBISP( 144 ) = VROCP2ALKP\n EBISP( 145 ) = VROCP1ALK\n EBISP( 146 ) = VROCP1ALKP\n EBISP( 147 ) = HC10\n EBISP( 148 ) = VROCP6ALKP2\n EBISP( 149 ) = VROCP5ALKP2\n EBISP( 150 ) = VROCP4ALKP2\n EBISP( 151 ) = VROCP2OXY2\n EBISP( 152 ) = VROCP3ALKP2\n EBISP( 153 ) = VROCP1OXY1\n EBISP( 154 ) = VROCP2ALKP2\n EBISP( 155 ) = VROCP1ALKP2\n EBISP( 156 ) = VROCN1OXY1\n EBISP( 157 ) = HC10P2\n EBISP( 158 ) = VROCP6ARO\n EBISP( 159 ) = VROCP6AROP\n EBISP( 160 ) = VROCN2OXY4\n EBISP( 161 ) = VROCN1OXY3\n EBISP( 162 ) = VROCP5ARO\n EBISP( 163 ) = VROCP5AROP\n EBISP( 164 ) = NAPH\n EBISP( 165 ) = NAPHP\n EBISP( 166 ) = VROCN2OXY8\n EBISP( 167 ) = VROCP5OXY1\n EBISP( 168 ) = VROCP6OXY1\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Set species tolerances\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n RTOL( O3 ) = 5.0D-04\n RTOL( O3P ) = 1.0D+00\n RTOL( O1D ) = 1.0D+00\n RTOL( H2O2 ) = 5.0D-04\n RTOL( HO ) = 5.0D-04\n RTOL( NO2 ) = 5.0D-04\n RTOL( NO ) = 5.0D-04\n RTOL( NO3 ) = 5.0D-04\n RTOL( HONO ) = 5.0D-04\n RTOL( HNO3 ) = 5.0D-04\n RTOL( HNO4 ) = 5.0D-04\n RTOL( HO2 ) = 5.0D-04\n RTOL( HCHO ) = 5.0D-04\n RTOL( CO ) = 5.0D-04\n RTOL( ACD ) = 5.0D-04\n RTOL( MO2 ) = 5.0D-04\n RTOL( ALD ) = 5.0D-04\n RTOL( ETHP ) = 5.0D-04\n RTOL( ACT ) = 5.0D-04\n RTOL( ACO3 ) = 5.0D-04\n RTOL( UALD ) = 5.0D-04\n RTOL( KET ) = 5.0D-04\n RTOL( PINAL ) = 5.0D-04\n RTOL( HC10P ) = 5.0D-04\n RTOL( LIMAL ) = 5.0D-04\n RTOL( MEK ) = 5.0D-04\n RTOL( HKET ) = 5.0D-04\n RTOL( MACR ) = 5.0D-04\n RTOL( MACP ) = 5.0D-04\n RTOL( XO2 ) = 5.0D-04\n RTOL( MVK ) = 5.0D-04\n RTOL( GLY ) = 5.0D-04\n RTOL( MGLY ) = 5.0D-04\n RTOL( DCB1 ) = 5.0D-04\n RTOL( DCB2 ) = 5.0D-04\n RTOL( BALD ) = 5.0D-04\n RTOL( CHO ) = 5.0D-04\n RTOL( OP1 ) = 5.0D-04\n RTOL( OP2 ) = 5.0D-04\n RTOL( OPB ) = 5.0D-04\n RTOL( OP3 ) = 5.0D-04\n RTOL( PAA ) = 5.0D-04\n RTOL( ONIT ) = 5.0D-04\n RTOL( PAN ) = 5.0D-04\n RTOL( N2O5 ) = 5.0D-04\n RTOL( SO2 ) = 5.0D-04\n RTOL( SULF ) = 1.0D+00\n RTOL( SULRXN ) = 1.0D+00\n RTOL( ETH ) = 5.0D-04\n RTOL( HC3 ) = 5.0D-04\n RTOL( HC3P ) = 5.0D-04\n RTOL( ASOATJ ) = 5.0D-04\n RTOL( HC5 ) = 5.0D-04\n RTOL( HC5P ) = 5.0D-04\n RTOL( ETE ) = 5.0D-04\n RTOL( ETEP ) = 5.0D-04\n RTOL( OLT ) = 5.0D-04\n RTOL( OLTP ) = 5.0D-04\n RTOL( OLI ) = 5.0D-04\n RTOL( OLIP ) = 5.0D-04\n RTOL( ACE ) = 5.0D-04\n RTOL( ORA1 ) = 5.0D-04\n RTOL( BEN ) = 5.0D-04\n RTOL( BENP ) = 5.0D-04\n RTOL( PHEN ) = 5.0D-04\n RTOL( TOL ) = 5.0D-04\n RTOL( TOLP ) = 5.0D-04\n RTOL( CSL ) = 5.0D-04\n RTOL( XYM ) = 5.0D-04\n RTOL( XYMP ) = 5.0D-04\n RTOL( XYE ) = 5.0D-04\n RTOL( XYEP ) = 5.0D-04\n RTOL( ISO ) = 5.0D-04\n RTOL( INO2 ) = 5.0D-04\n RTOL( NALD ) = 5.0D-04\n RTOL( ISOP ) = 5.0D-04\n RTOL( ISHP ) = 5.0D-04\n RTOL( ISON ) = 5.0D-04\n RTOL( IPN ) = 5.0D-04\n RTOL( IEPOX ) = 5.0D-04\n RTOL( IPC ) = 5.0D-04\n RTOL( ROH ) = 5.0D-04\n RTOL( API ) = 5.0D-04\n RTOL( APIP1 ) = 5.0D-04\n RTOL( APIP2 ) = 5.0D-04\n RTOL( LIM ) = 5.0D-04\n RTOL( LIMP1 ) = 5.0D-04\n RTOL( LIMP2 ) = 5.0D-04\n RTOL( PINALP ) = 5.0D-04\n RTOL( RCO3 ) = 5.0D-04\n RTOL( LIMALP ) = 5.0D-04\n RTOL( ACTP ) = 5.0D-04\n RTOL( MEKP ) = 5.0D-04\n RTOL( KETP ) = 5.0D-04\n RTOL( MCP ) = 5.0D-04\n RTOL( MVKP ) = 5.0D-04\n RTOL( UALP ) = 5.0D-04\n RTOL( DCB3 ) = 5.0D-04\n RTOL( BALP ) = 5.0D-04\n RTOL( ADDC ) = 5.0D-04\n RTOL( MCT ) = 5.0D-04\n RTOL( MCTO ) = 5.0D-04\n RTOL( MOH ) = 5.0D-04\n RTOL( EOH ) = 5.0D-04\n RTOL( ETEG ) = 5.0D-04\n RTOL( MAHP ) = 5.0D-04\n RTOL( ORA2 ) = 5.0D-04\n RTOL( ORAP ) = 5.0D-04\n RTOL( PPN ) = 5.0D-04\n RTOL( MPAN ) = 5.0D-04\n RTOL( TRPN ) = 5.0D-04\n RTOL( HOM ) = 5.0D-04\n RTOL( MCTP ) = 5.0D-04\n RTOL( OLNN ) = 5.0D-04\n RTOL( OLND ) = 5.0D-04\n RTOL( APINP1 ) = 5.0D-04\n RTOL( APINP2 ) = 5.0D-04\n RTOL( LIMNP1 ) = 5.0D-04\n RTOL( LIMNP2 ) = 5.0D-04\n RTOL( ADCN ) = 5.0D-04\n RTOL( VROCP4OXY2 ) = 5.0D-04\n RTOL( VROCN1OXY6 ) = 5.0D-04\n RTOL( FURANONE ) = 5.0D-04\n RTOL( VROCP3OXY2 ) = 5.0D-04\n RTOL( VROCP0OXY4 ) = 5.0D-04\n RTOL( BAL1 ) = 5.0D-04\n RTOL( BAL2 ) = 5.0D-04\n RTOL( ELHOM ) = 5.0D-04\n RTOL( VROCIOXY ) = 5.0D-04\n RTOL( SLOWROC ) = 5.0D-04\n RTOL( ACRO ) = 5.0D-04\n RTOL( BDE13 ) = 5.0D-04\n RTOL( BDE13P ) = 5.0D-04\n RTOL( FURAN ) = 5.0D-04\n RTOL( FURANO2 ) = 5.0D-04\n RTOL( PROG ) = 5.0D-04\n RTOL( SESQ ) = 5.0D-04\n RTOL( SESQNRO2 ) = 5.0D-04\n RTOL( VROCN2OXY2 ) = 5.0D-04\n RTOL( SESQRO2 ) = 5.0D-04\n RTOL( VROCP0OXY2 ) = 5.0D-04\n RTOL( VROCP1OXY3 ) = 5.0D-04\n RTOL( AGLYJ ) = 5.0D-04\n RTOL( IEPOXP ) = 5.0D-04\n RTOL( AISO3NOSJ ) = 5.0D-04\n RTOL( ASO4J ) = 5.0D-04\n RTOL( AISO3OSJ ) = 5.0D-04\n RTOL( VROCP6ALK ) = 5.0D-04\n RTOL( VROCP6ALKP ) = 5.0D-04\n RTOL( VROCP5ALK ) = 5.0D-04\n RTOL( VROCP5ALKP ) = 5.0D-04\n RTOL( VROCP4ALK ) = 5.0D-04\n RTOL( VROCP4ALKP ) = 5.0D-04\n RTOL( VROCP3ALK ) = 5.0D-04\n RTOL( VROCP3ALKP ) = 5.0D-04\n RTOL( VROCP2ALK ) = 5.0D-04\n RTOL( VROCP2ALKP ) = 5.0D-04\n RTOL( VROCP1ALK ) = 5.0D-04\n RTOL( VROCP1ALKP ) = 5.0D-04\n RTOL( HC10 ) = 5.0D-04\n RTOL( VROCP6ALKP2 ) = 5.0D-04\n RTOL( VROCP5ALKP2 ) = 5.0D-04\n RTOL( VROCP4ALKP2 ) = 5.0D-04\n RTOL( VROCP2OXY2 ) = 5.0D-04\n RTOL( VROCP3ALKP2 ) = 5.0D-04\n RTOL( VROCP1OXY1 ) = 5.0D-04\n RTOL( VROCP2ALKP2 ) = 5.0D-04\n RTOL( VROCP1ALKP2 ) = 5.0D-04\n RTOL( VROCN1OXY1 ) = 5.0D-04\n RTOL( HC10P2 ) = 5.0D-04\n RTOL( VROCP6ARO ) = 5.0D-04\n RTOL( VROCP6AROP ) = 5.0D-04\n RTOL( VROCN2OXY4 ) = 5.0D-04\n RTOL( VROCN1OXY3 ) = 5.0D-04\n RTOL( VROCP5ARO ) = 5.0D-04\n RTOL( VROCP5AROP ) = 5.0D-04\n RTOL( NAPH ) = 5.0D-04\n RTOL( NAPHP ) = 5.0D-04\n RTOL( VROCN2OXY8 ) = 5.0D-04\n RTOL( VROCP5OXY1 ) = 5.0D-04\n RTOL( VROCP6OXY1 ) = 5.0D-04\n\n\n RETURN\n\n END\n" }, { "path": "CCTM/src/gas/ebi_cracmm1amore_aq/hrprodloss.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE HRPRODLOSS\n\nC***********************************************************************\nC\nC FUNCTION: To compute the production and loss rates for EBI species\nC\nC PRECONDITIONS: For the CRACMM1AMORE_AQ mechanism\nC\nC RETURN VALUES: None\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 16, 2022\nC\nC 18 Jul 14 B.Hutzell: revised to use real(8) variables\n\nC***********************************************************************\n USE HRDATA\n\n IMPLICIT NONE\n\n\nC.....INCLUDES: NONE\n\n\nC.....ARGUMENTS: NONE\n\n\nC.....PARAMETERS: NONE\n\n\nC.....EXTERNAL FUNCTIONS: NONE\n\n\nC.....SAVED VARIABLES: NONE\n! CHARACTER( 16 ), SAVE :: PNAME = 'HRPRODLOSS' ! Program name\n\n\nC.....LOCAL VARIABLES:\n\n\nC***********************************************************************\n\n\n PROD( H2O2 ) = RXRAT( 50 ) ! HO2+HO2=H2O2\n & + RXRAT( 51 ) ! HO2+HO2=H2O2\n & + 9.0000D-02 * RXRAT( 88 ) ! ISO+O3=0.9000D-01*H2O2+...\n & + 6.8000D-02 * RXRAT( 145 ) ! OLT+O3=0.6800D-01*H2O2+...\n & + 2.6000D-02 * RXRAT( 146 ) ! OLI+O3=0.2600D-01*H2O2+...\n & + 5.0000D-02 * RXRAT( 147 ) ! API+O3=0.5000D-01*H2O2+...\n & + 5.0000D-02 * RXRAT( 148 ) ! LIM+O3=0.5000D-01*H2O2+...\n LOSS( H2O2 ) = RXRAT( 3 ) ! H2O2=0.2000D+01*HO\n & + RXRAT( 52 ) ! H2O2+HO=HO2\n\n PROD( HNO3 ) = RXRAT( 56 ) ! NO+HO2=HNO3\n & + RXRAT( 61 ) ! NO2+HO=HNO3\n & + 3.0000D-01 * RXRAT( 64 ) ! NO3+HO2=0.3000D+00*HNO3+...\n & + 2.0000D+00 * RXRAT( 70 ) ! N2O5=0.2000D+01*HNO3\n & + RXRAT( 103 ) ! ISON=HNO3+ROH\n & + RXRAT( 164 ) ! HCHO+NO3=HNO3+CO+HO2\n & + RXRAT( 165 ) ! ACD+NO3=HNO3+ACO3\n & + RXRAT( 166 ) ! ALD+NO3=HNO3+RCO3\n & + 3.2000D-01 * RXRAT( 167 ) ! MACR+NO3=0.3200D+00*HNO3+...\n & + RXRAT( 169 ) ! GLY+NO3=HNO3+0.2000D+01*CO+HO2\n & + RXRAT( 170 ) ! MGLY+NO3=HNO3+CO+ACO3\n & + 4.2400D-01 * RXRAT( 171 ) ! PHEN+NO3=0.4240D+00*HNO3+...\n & + 4.0000D-01 * RXRAT( 172 ) ! CSL+NO3=0.4000D+00*HNO3+...\n & + RXRAT( 173 ) ! MCT+NO3=HNO3+MCTO\n & + 3.2000D-01 * RXRAT( 393 ) ! ACRO+NO3=0.3200D+00*HNO3+...\n & + 2.0000D+00 * RXRAT( 421 ) ! N2O5=0.2000D+01*HNO3\n & + 5.0000D-01 * RXRAT( 422 ) ! NO2=0.5000D+00*HNO3+...\n LOSS( HNO3 ) = RXRAT( 8 ) ! HNO3=HO+NO2\n & + RXRAT( 62 ) ! HNO3+HO=NO3\n\n PROD( HCHO ) = 3.5000D-01 * RXRAT( 16 ) ! UALD=0.3500D+00*HCHO+...\n & + RXRAT( 21 ) ! HKET=HCHO+ACO3+HO2\n & + 6.7000D-01 * RXRAT( 22 ) ! MACR=0.6700D+00*HCHO+...\n & + RXRAT( 25 ) ! GLY=HCHO+CO\n & + RXRAT( 31 ) ! OP1=HCHO+HO2+HO\n & + 1.1600D+00 * RXRAT( 88 ) ! ISO+O3=0.1160D+01*HCHO+...\n & + 3.0000D-01 * RXRAT( 89 ) ! ISO+NO3=0.3000D+00*HCHO+...\n & + 1.5000D-01 * RXRAT( 91 ) ! ISOP+HO2=0.1500D+00*HCHO+...\n & + 7.0000D-01 * RXRAT( 92 ) ! ISOP+NO=0.7000D+00*HCHO+...\n & + 9.0000D-01 * RXRAT( 95 ) ! INO2+NO=0.9000D+00*HCHO+...\n & + 4.0000D-01 * RXRAT( 96 ) ! IPN+HO2=0.4000D+00*HCHO+...\n & + 1.5000D-01 * RXRAT( 98 ) ! ISHP+HO=0.1500D+00*HCHO+...\n & + 4.0000D-01 * RXRAT( 99 ) ! ISHP=0.4000D+00*HCHO+...\n & + RXRAT( 127 ) ! MOH+HO=HCHO+HO2\n & + 3.5000D-01 * RXRAT( 131 ) ! OP1+HO=0.3500D+00*HCHO+...\n & + 3.5000D-01 * RXRAT( 138 ) ! PAA+HO=0.3500D+00*HCHO+...\n & + RXRAT( 139 ) ! PAN+HO=HCHO+NO3+XO2\n & + RXRAT( 140 ) ! PPN+HO=HCHO+NO3+XO2\n & + RXRAT( 144 ) ! ETE+O3=HCHO+0.1500D+00*HO2+...\n & + 5.6000D-01 * RXRAT( 145 ) ! OLT+O3=0.5600D+00*HCHO+...\n & + 9.0000D-02 * RXRAT( 146 ) ! OLI+O3=0.9000D-01*HCHO+...\n & + 7.9000D-01 * RXRAT( 149 ) ! LIMAL+O3=0.7900D+00*HCHO+...\n & + 1.0000D-01 * RXRAT( 152 ) ! MVK+O3=0.1000D+00*HCHO+...\n & + 8.0000D-02 * RXRAT( 153 ) ! UALD+O3=0.8000D-01*HCHO+...\n & + 5.0000D-02 * RXRAT( 154 ) ! DCB1+O3=0.5000D-01*HCHO+...\n & + 5.0000D-02 * RXRAT( 155 ) ! DCB2+O3=0.5000D-01*HCHO+...\n & + 6.8000D-01 * RXRAT( 167 ) ! MACR+NO3=0.6800D+00*HCHO+...\n & + 3.3200D-01 * RXRAT( 168 ) ! UALD+NO3=0.3320D+00*HCHO+...\n & + RXRAT( 183 ) ! MO2+NO=HCHO+NO2+HO2\n & + 1.8000D-02 * RXRAT( 186 ) ! HC5P+NO=0.1800D-01*HCHO+...\n & + 1.6000D+00 * RXRAT( 187 ) ! ETEP+NO=0.1600D+01*HCHO+...\n & + 7.8000D-01 * RXRAT( 188 ) ! OLTP+NO=0.7800D+00*HCHO+...\n & + 2.8000D-01 * RXRAT( 198 ) ! LIMP1+NO=0.2800D+00*HCHO+...\n & + 9.5000D-01 * RXRAT( 202 ) ! PINALP+NO=0.9500D+00*HCHO+...\n & + 9.4000D-01 * RXRAT( 203 ) ! LIMALP+NO=0.9400D+00*HCHO+...\n & + RXRAT( 206 ) ! ACTP+NO=HCHO+NO2+ACO3\n & + 3.3000D-01 * RXRAT( 207 ) ! MEKP+NO=0.3300D+00*HCHO+...\n & + 6.5000D-01 * RXRAT( 209 ) ! MACP+NO=0.6500D+00*HCHO+...\n & + 5.0000D-01 * RXRAT( 210 ) ! MCP+NO=0.5000D+00*HCHO+...\n & + 3.0000D-01 * RXRAT( 211 ) ! MVKP+NO=0.3000D+00*HCHO+...\n & + 3.0000D-02 * RXRAT( 212 ) ! UALP+NO=0.3000D-01*HCHO+...\n & + 2.8700D-01 * RXRAT( 219 ) ! OLND+NO=0.2870D+00*HCHO+...\n & + 1.5000D-01 * RXRAT( 248 ) ! ACTP+HO2=0.1500D+00*HCHO+...\n & + 1.3700D+00 * RXRAT( 263 ) ! MO2+MO2=0.1370D+01*HCHO+...\n & + 7.5000D-01 * RXRAT( 264 ) ! ETHP+MO2=0.7500D+00*HCHO+...\n & + 8.2700D-01 * RXRAT( 265 ) ! HC3P+MO2=0.8270D+00*HCHO+...\n & + 7.7700D-01 * RXRAT( 266 ) ! HC5P+MO2=0.7770D+00*HCHO+...\n & + 1.9500D+00 * RXRAT( 267 ) ! ETEP+MO2=0.1950D+01*HCHO+...\n & + 1.5000D+00 * RXRAT( 268 ) ! OLTP+MO2=0.1500D+01*HCHO+...\n & + 7.5000D-01 * RXRAT( 269 ) ! OLIP+MO2=0.7500D+00*HCHO+...\n & + 6.8000D-01 * RXRAT( 270 ) ! BENP+MO2=0.6800D+00*HCHO+...\n & + 6.8000D-01 * RXRAT( 271 ) ! TOLP+MO2=0.6800D+00*HCHO+...\n & + 6.8000D-01 * RXRAT( 272 ) ! XYMP+MO2=0.6800D+00*HCHO+...\n & + 6.8000D-01 * RXRAT( 273 ) ! XYEP+MO2=0.6800D+00*HCHO+...\n & + 1.3100D+00 * RXRAT( 274 ) ! ISOP+MO2=0.1310D+01*HCHO+...\n & + 6.8000D-01 * RXRAT( 275 ) ! APIP1+MO2=0.6800D+00*HCHO+...\n & + 7.5000D-01 * RXRAT( 276 ) ! APIP2+MO2=0.7500D+00*HCHO+...\n & + 6.8000D-01 * RXRAT( 277 ) ! APINP1+MO2=0.6800D+00*HCHO+...\n & + 7.5000D-01 * RXRAT( 278 ) ! APINP2+MO2=0.7500D+00*HCHO+...\n & + RXRAT( 279 ) ! LIMP1+MO2=HCHO+HO2+0.4200D+...\n & + 7.5000D-01 * RXRAT( 280 ) ! LIMP2+MO2=0.7500D+00*HCHO+...\n & + 6.8000D-01 * RXRAT( 281 ) ! LIMNP1+MO2=0.6800D+00*HCHO+...\n & + 7.5000D-01 * RXRAT( 282 ) ! LIMNP2+MO2=0.7500D+00*HCHO+...\n & + RXRAT( 283 ) ! ACO3+MO2=HCHO+0.9000D+...\n & + RXRAT( 284 ) ! RCO3+MO2=HCHO+0.9000D+...\n & + 1.5000D+00 * RXRAT( 285 ) ! ACTP+MO2=0.1500D+01*HCHO+...\n & + RXRAT( 286 ) ! MEKP+MO2=HCHO+0.8340D+...\n & + 7.5000D-01 * RXRAT( 287 ) ! KETP+MO2=0.7500D+00*HCHO+...\n & + 1.6600D+00 * RXRAT( 288 ) ! MACP+MO2=0.1660D+01*HCHO+...\n & + 1.5000D+00 * RXRAT( 289 ) ! MCP+MO2=0.1500D+01*HCHO+...\n & + 1.5000D+00 * RXRAT( 290 ) ! MVKP+MO2=0.1500D+01*HCHO+...\n & + 7.7300D-01 * RXRAT( 291 ) ! UALP+MO2=0.7730D+00*HCHO+...\n & + RXRAT( 292 ) ! BALP+MO2=HCHO+BAL1+HO2\n & + RXRAT( 293 ) ! BAL1+MO2=HCHO+BAL2+HO2\n & + RXRAT( 294 ) ! ADDC+MO2=HCHO+0.2000D+...\n & + RXRAT( 295 ) ! MCTP+MO2=HCHO+MCTO+HO2\n & + RXRAT( 296 ) ! ORAP+MO2=HCHO+HO2+GLY\n & + RXRAT( 297 ) ! OLNN+MO2=HCHO+0.2000D+...\n & + 9.6500D-01 * RXRAT( 298 ) ! OLND+MO2=0.9650D+00*HCHO+...\n & + RXRAT( 299 ) ! ADCN+MO2=HCHO+0.7000D+...\n & + RXRAT( 300 ) ! XO2+MO2=HCHO+HO2\n & + 1.3000D-01 * RXRAT( 302 ) ! HC3P+ACO3=0.1300D+00*HCHO+...\n & + 4.2000D-02 * RXRAT( 303 ) ! HC5P+ACO3=0.4200D-01*HCHO+...\n & + 1.6000D+00 * RXRAT( 304 ) ! ETEP+ACO3=0.1600D+01*HCHO+...\n & + RXRAT( 305 ) ! OLTP+ACO3=HCHO+0.5000D+...\n & + 1.0480D+00 * RXRAT( 311 ) ! ISOP+ACO3=0.1048D+01*HCHO+...\n & + 3.2000D-01 * RXRAT( 316 ) ! LIMP1+ACO3=0.3200D+00*HCHO+...\n & + RXRAT( 322 ) ! ACTP+ACO3=HCHO+0.5000D+...\n & + 3.3000D-01 * RXRAT( 323 ) ! MEKP+ACO3=0.3300D+00*HCHO+...\n & + RXRAT( 325 ) ! MACP+ACO3=HCHO+0.5000D+...\n & + RXRAT( 326 ) ! MCP+ACO3=HCHO+0.5000D+...\n & + RXRAT( 327 ) ! MVKP+ACO3=HCHO+0.5000D+...\n & + 3.0000D-02 * RXRAT( 328 ) ! UALP+ACO3=0.3000D-01*HCHO+...\n & + 2.8700D-01 * RXRAT( 335 ) ! OLND+ACO3=0.2870D+00*HCHO+...\n & + RXRAT( 339 ) ! MO2+NO3=HCHO+HO2+NO2\n & + 2.4000D-02 * RXRAT( 342 ) ! HC5P+NO3=0.2400D-01*HCHO+...\n & + 1.6000D+00 * RXRAT( 343 ) ! ETEP+NO3=0.1600D+01*HCHO+...\n & + 7.9000D-01 * RXRAT( 344 ) ! OLTP+NO3=0.7900D+00*HCHO+...\n & + 7.5000D-01 * RXRAT( 350 ) ! ISOP+NO3=0.7500D+00*HCHO+...\n & + 3.8500D-01 * RXRAT( 352 ) ! LIMP1+NO3=0.3850D+00*HCHO+...\n & + RXRAT( 355 ) ! ACTP+NO3=HCHO+NO2+ACO3\n & + 3.3000D-01 * RXRAT( 356 ) ! MEKP+NO3=0.3300D+00*HCHO+...\n & + RXRAT( 358 ) ! MACP+NO3=HCHO+0.5380D+...\n & + RXRAT( 359 ) ! MCP+NO3=HCHO+HO2+NO2+HKET\n & + 3.0000D-01 * RXRAT( 360 ) ! MVKP+NO3=0.3000D+00*HCHO+...\n & + 3.0000D-02 * RXRAT( 361 ) ! UALP+NO3=0.3000D-01*HCHO+...\n & + 2.8700D-01 * RXRAT( 368 ) ! OLND+NO3=0.2870D+00*HCHO+...\n & + 2.0200D-01 * RXRAT( 371 ) ! OLNN+OLND=0.2020D+00*HCHO+...\n & + 5.0400D-01 * RXRAT( 372 ) ! OLND+OLND=0.5040D+00*HCHO+...\n & + 4.8000D-01 * RXRAT( 378 ) ! APIP2+ISOP=0.4800D+00*HCHO+...\n & + 4.8000D-01 * RXRAT( 381 ) ! LIMP2+ISOP=0.4800D+00*HCHO+...\n & + 4.8000D-01 * RXRAT( 384 ) ! APINP2+ISOP=0.4800D+...\n & + 4.8000D-01 * RXRAT( 387 ) ! LIMNP2+ISOP=0.4800D+...\n & + 7.2000D-01 * RXRAT( 392 ) ! ACRO+O3=0.7200D+00*HCHO+...\n & + 6.8000D-01 * RXRAT( 393 ) ! ACRO+NO3=0.6800D+00*HCHO+...\n & + 1.5000D-01 * RXRAT( 394 ) ! ACRO=0.1500D+00*HCHO+...\n & + 8.9500D-01 * RXRAT( 396 ) ! BDE13P+NO=0.8950D+00*HCHO+...\n & + 9.2500D-01 * RXRAT( 397 ) ! BDE13P+NO3=0.9250D+00*HCHO+...\n & + 1.1430D+00 * RXRAT( 399 ) ! BDE13P+MO2=0.1143D+01*HCHO+...\n & + 7.4000D-01 * RXRAT( 400 ) ! BDE13P+ACO3=0.7400D+...\n & + 8.3000D-01 * RXRAT( 401 ) ! BDE13+O3=0.8300D+00*HCHO+...\n & + 6.8000D-01 * RXRAT( 487 ) ! VROCP6AROP+MO2=0.6800D+...\n & + 6.8000D-01 * RXRAT( 493 ) ! VROCP5AROP+MO2=0.6800D+...\n & + 6.8000D-01 * RXRAT( 499 ) ! NAPHP+MO2=0.6800D+00*HCHO+...\n LOSS( HCHO ) = RXRAT( 10 ) ! HCHO=CO\n & + RXRAT( 11 ) ! HCHO=0.2000D+01*HO2+CO\n & + RXRAT( 108 ) ! HCHO+HO=HO2+CO\n & + RXRAT( 164 ) ! HCHO+NO3=HO2+CO+HNO3\n\n PROD( CO ) = RXRAT( 10 ) ! HCHO=CO\n & + RXRAT( 11 ) ! HCHO=CO+0.2000D+01*HO2\n & + RXRAT( 12 ) ! ACD=CO+MO2+HO2\n & + RXRAT( 13 ) ! ALD=CO+ETHP+HO2\n & + RXRAT( 15 ) ! ACT=CO+0.2000D+01*MO2\n & + 1.2200D+00 * RXRAT( 16 ) ! UALD=0.1220D+01*CO+0.7840D+...\n & + RXRAT( 17 ) ! PINAL=CO+HC10P+HO2\n & + RXRAT( 18 ) ! LIMAL=CO+HC10P+HO2\n & + 1.0000D-01 * RXRAT( 19 ) ! MEK=0.1000D+00*CO+ETHP+...\n & + 5.0000D-01 * RXRAT( 20 ) ! KET=0.5000D+00*CO+0.5000D+...\n & + 6.7000D-01 * RXRAT( 22 ) ! MACR=0.6700D+00*CO+0.6600D+...\n & + 7.0000D-01 * RXRAT( 23 ) ! MVK=0.7000D+00*CO+0.3000D+...\n & + 2.0000D+00 * RXRAT( 24 ) ! GLY=0.2000D+01*CO\n & + RXRAT( 25 ) ! GLY=CO+HCHO\n & + 2.0000D+00 * RXRAT( 26 ) ! GLY=0.2000D+01*CO+0.2000D+...\n & + RXRAT( 27 ) ! MGLY=CO+ACO3+HO2\n & + RXRAT( 28 ) ! DCB1=CO+0.2500D+00*ACO3+...\n & + RXRAT( 29 ) ! DCB2=CO+0.2500D+00*ACO3+...\n & + RXRAT( 30 ) ! BALD=CO+HO2+CHO\n & + 3.5000D-01 * RXRAT( 83 ) ! ACE+HO=0.3500D+00*CO+...\n & + 1.4000D-01 * RXRAT( 88 ) ! ISO+O3=0.1400D+00*CO+...\n & + RXRAT( 101 ) ! NALD+HO=CO+0.1200D+00*NO2\n & + RXRAT( 102 ) ! NALD+NO3=CO\n & + RXRAT( 108 ) ! HCHO+HO=CO+HO2\n & + 2.0000D+00 * RXRAT( 118 ) ! GLY+HO=0.2000D+01*CO+HO2\n & + RXRAT( 119 ) ! MGLY+HO=CO+ACO3\n & + 3.3000D-01 * RXRAT( 120 ) ! DCB1+HO=0.3300D+00*CO+...\n & + 3.3000D-01 * RXRAT( 121 ) ! DCB2+HO=0.3300D+00*CO+...\n & + 1.1000D-01 * RXRAT( 122 ) ! DCB3+HO=0.1100D+00*CO+...\n & + 4.3000D-01 * RXRAT( 144 ) ! ETE+O3=0.4300D+00*CO+...\n & + 4.3000D-01 * RXRAT( 145 ) ! OLT+O3=0.4300D+00*CO+...\n & + 3.7000D-01 * RXRAT( 146 ) ! OLI+O3=0.3700D+00*CO+...\n & + 1.4000D-01 * RXRAT( 147 ) ! API+O3=0.1400D+00*CO+...\n & + 1.4000D-01 * RXRAT( 148 ) ! LIM+O3=0.1400D+00*CO+...\n & + 2.0000D-01 * RXRAT( 149 ) ! LIMAL+O3=0.2000D+00*CO+...\n & + 2.2000D-01 * RXRAT( 151 ) ! MACR+O3=0.2200D+00*CO+...\n & + 5.6000D-01 * RXRAT( 152 ) ! MVK+O3=0.5600D+00*CO+...\n & + 2.4300D-01 * RXRAT( 153 ) ! UALD+O3=0.2430D+00*CO+...\n & + 1.5000D+00 * RXRAT( 154 ) ! DCB1+O3=0.1500D+01*CO+HO2+...\n & + 1.5000D+00 * RXRAT( 155 ) ! DCB2+O3=0.1500D+01*CO+HO2+...\n & + 1.5000D+00 * RXRAT( 156 ) ! DCB3+O3=0.1500D+01*CO+HO2+...\n & + RXRAT( 164 ) ! HCHO+NO3=CO+HO2+HNO3\n & + 6.6800D-01 * RXRAT( 168 ) ! UALD+NO3=0.6680D+00*CO+XO2+...\n & + 2.0000D+00 * RXRAT( 169 ) ! GLY+NO3=0.2000D+01*CO+HO2+HNO3\n & + RXRAT( 170 ) ! MGLY+NO3=CO+ACO3+HNO3\n & + 6.5000D-01 * RXRAT( 209 ) ! MACP+NO=0.6500D+00*CO+...\n & + 6.1000D-01 * RXRAT( 212 ) ! UALP+NO=0.6100D+00*CO+NO2+...\n & + 5.0000D-01 * RXRAT( 288 ) ! MACP+MO2=0.5000D+00*CO+...\n & + 3.0500D-01 * RXRAT( 291 ) ! UALP+MO2=0.3050D+00*CO+HO2+...\n & + 5.0000D-01 * RXRAT( 325 ) ! MACP+ACO3=0.5000D+00*CO+...\n & + 5.0000D-01 * RXRAT( 328 ) ! UALP+ACO3=0.5000D+00*CO+...\n & + RXRAT( 358 ) ! MACP+NO3=CO+0.5380D+...\n & + 6.1000D-01 * RXRAT( 361 ) ! UALP+NO3=0.6100D+00*CO+NO2+...\n & + 8.4000D-01 * RXRAT( 392 ) ! ACRO+O3=0.8400D+00*CO+...\n & + RXRAT( 394 ) ! ACRO=CO+0.4770D+00*HO2+...\n & + 6.3000D-01 * RXRAT( 401 ) ! BDE13+O3=0.6300D+00*CO+...\n & + 4.3000D-01 * RXRAT( 406 ) ! FURANONE+HO=0.4300D+00*CO+...\n LOSS( CO ) = RXRAT( 75 ) ! CO+HO=HO2\n\n PROD( ACD ) = RXRAT( 128 ) ! EOH+HO=ACD+HO2\n & + 1.8400D-01 * RXRAT( 129 ) ! ROH+HO=0.1840D+00*ACD+...\n & + 1.0000D-02 * RXRAT( 145 ) ! OLT+O3=0.1000D-01*ACD+...\n & + 4.5700D-01 * RXRAT( 146 ) ! OLI+O3=0.4570D+00*ACD+...\n & + 4.2000D-01 * RXRAT( 153 ) ! UALD+O3=0.4200D+00*ACD+...\n & + RXRAT( 184 ) ! ETHP+NO=ACD+NO2+HO2\n & + 5.0400D-01 * RXRAT( 185 ) ! HC3P+NO=0.5040D+00*ACD+...\n & + 4.5000D-02 * RXRAT( 186 ) ! HC5P+NO=0.4500D-01*ACD+...\n & + 1.2000D-02 * RXRAT( 188 ) ! OLTP+NO=0.1200D-01*ACD+...\n & + 8.1000D-01 * RXRAT( 189 ) ! OLIP+NO=0.8100D+00*ACD+...\n & + 7.5000D-01 * RXRAT( 264 ) ! ETHP+MO2=0.7500D+00*ACD+...\n & + RXRAT( 301 ) ! ETHP+ACO3=ACD+0.5000D+...\n & + RXRAT( 340 ) ! ETHP+NO3=ACD+NO2+HO2\n & + 5.1900D-01 * RXRAT( 341 ) ! HC3P+NO3=0.5190D+00*ACD+...\n & + 4.8000D-02 * RXRAT( 342 ) ! HC5P+NO3=0.4800D-01*ACD+...\n & + 2.0000D-02 * RXRAT( 344 ) ! OLTP+NO3=0.2000D-01*ACD+...\n & + 8.5000D-01 * RXRAT( 345 ) ! OLIP+NO3=0.8500D+00*ACD+...\n & + 2.5810D-01 * RXRAT( 501 ) ! VROCN2OXY8+HO=0.2581D+...\n & + 7.9400D-02 * RXRAT( 502 ) ! VROCN2OXY4+HO=0.7940D-...\n & + 3.9000D-02 * RXRAT( 503 ) ! VROCN2OXY2+HO=0.3900D-...\n & + 1.8400D-01 * RXRAT( 504 ) ! VROCN1OXY6+HO=0.1840D+...\n & + 6.4600D-02 * RXRAT( 505 ) ! VROCN1OXY3+HO=0.6460D-...\n & + 2.4400D-02 * RXRAT( 506 ) ! VROCN1OXY1+HO=0.2440D-...\n & + 1.0680D-01 * RXRAT( 507 ) ! VROCP0OXY4+HO=0.1068D+...\n & + 4.4500D-02 * RXRAT( 508 ) ! VROCP0OXY2+HO=0.4450D-...\n & + 8.1800D-02 * RXRAT( 509 ) ! VROCP1OXY3+HO=0.8180D-...\n & + 2.9700D-02 * RXRAT( 510 ) ! VROCP1OXY1+HO=0.2970D-...\n & + 6.2800D-02 * RXRAT( 511 ) ! VROCP2OXY2+HO=0.6280D-...\n & + 6.9800D-02 * RXRAT( 512 ) ! VROCP3OXY2+HO=0.6980D-...\n & + 7.8600D-02 * RXRAT( 513 ) ! VROCP4OXY2+HO=0.7860D-...\n & + 5.2600D-02 * RXRAT( 514 ) ! VROCP5OXY1+HO=0.5260D-...\n & + 5.7100D-02 * RXRAT( 515 ) ! VROCP6OXY1+HO=0.5710D-...\n & + 2.2660D-01 * RXRAT( 516 ) ! OP3+HO=0.2266D+00*ACD+...\n LOSS( ACD ) = RXRAT( 12 ) ! ACD=HO2+MO2+CO\n & + RXRAT( 109 ) ! ACD+HO=ACO3\n & + RXRAT( 165 ) ! ACD+NO3=ACO3+HNO3\n\n PROD( MO2 ) = RXRAT( 12 ) ! ACD=MO2+HO2+CO\n & + RXRAT( 14 ) ! ACT=MO2+ACO3\n & + 2.0000D+00 * RXRAT( 15 ) ! ACT=0.2000D+01*MO2+CO\n & + 1.0000D-01 * RXRAT( 19 ) ! MEK=0.1000D+00*MO2+ETHP+...\n & + 3.0000D-01 * RXRAT( 23 ) ! MVK=0.3000D+00*MO2+0.3000D+...\n & + RXRAT( 35 ) ! PAA=MO2+HO\n & + RXRAT( 38 ) ! PAN=MO2+NO3\n & + RXRAT( 76 ) ! HO=MO2\n & + 8.0000D-02 * RXRAT( 88 ) ! ISO+O3=0.8000D-01*MO2+...\n & + 2.0000D-02 * RXRAT( 90 ) ! ISO+HO=0.2000D-01*MO2+ISOP\n & + 1.0000D-01 * RXRAT( 95 ) ! INO2+NO=0.1000D+00*MO2+...\n & + 1.0000D-01 * RXRAT( 96 ) ! IPN+HO2=0.1000D+00*MO2+HO2+...\n & + 6.5000D-01 * RXRAT( 131 ) ! OP1+HO=0.6500D+00*MO2+...\n & + 6.4000D-01 * RXRAT( 137 ) ! ORA2+HO=0.6400D+00*MO2+...\n & + 8.0000D-02 * RXRAT( 145 ) ! OLT+O3=0.8000D-01*MO2+...\n & + 3.2000D-01 * RXRAT( 146 ) ! OLI+O3=0.3200D+00*MO2+...\n & + 8.0000D-03 * RXRAT( 153 ) ! UALD+O3=0.8000D-02*MO2+...\n & + 1.3100D-01 * RXRAT( 185 ) ! HC3P+NO=0.1310D+00*MO2+...\n & + 5.1000D-02 * RXRAT( 186 ) ! HC5P+NO=0.5100D-01*MO2+...\n & + RXRAT( 204 ) ! ACO3+NO=MO2+NO2\n & + 6.5000D-01 * RXRAT( 209 ) ! MACP+NO=0.6500D+00*MO2+...\n & + 4.4000D-01 * RXRAT( 246 ) ! ACO3+HO2=0.4400D+00*MO2+...\n & + 5.0000D-01 * RXRAT( 301 ) ! ETHP+ACO3=0.5000D+00*MO2+...\n & + 5.8000D-01 * RXRAT( 302 ) ! HC3P+ACO3=0.5800D+00*MO2+...\n & + 5.1800D-01 * RXRAT( 303 ) ! HC5P+ACO3=0.5180D+00*MO2+...\n & + 5.0000D-01 * RXRAT( 304 ) ! ETEP+ACO3=0.5000D+00*MO2+...\n & + 5.0000D-01 * RXRAT( 305 ) ! OLTP+ACO3=0.5000D+00*MO2+...\n & + 5.0000D-01 * RXRAT( 306 ) ! OLIP+ACO3=0.5000D+00*MO2+...\n & + 7.0000D-01 * RXRAT( 307 ) ! BENP+ACO3=0.7000D+00*MO2+...\n & + 7.0000D-01 * RXRAT( 308 ) ! TOLP+ACO3=0.7000D+00*MO2+...\n & + 7.0000D-01 * RXRAT( 309 ) ! XYMP+ACO3=0.7000D+00*MO2+...\n & + 7.0000D-01 * RXRAT( 310 ) ! XYEP+ACO3=0.7000D+00*MO2+...\n & + 5.0000D-01 * RXRAT( 311 ) ! ISOP+ACO3=0.5000D+00*MO2+...\n & + 7.0000D-01 * RXRAT( 312 ) ! APIP1+ACO3=0.7000D+00*MO2+...\n & + 5.0000D-01 * RXRAT( 313 ) ! APIP2+ACO3=0.5000D+00*MO2+...\n & + 7.0000D-01 * RXRAT( 314 ) ! APINP1+ACO3=0.7000D+00*MO2+...\n & + 5.0000D-01 * RXRAT( 315 ) ! APINP2+ACO3=0.5000D+00*MO2+...\n & + 7.0000D-01 * RXRAT( 316 ) ! LIMP1+ACO3=0.7000D+00*MO2+...\n & + 5.0000D-01 * RXRAT( 317 ) ! LIMP2+ACO3=0.5000D+00*MO2+...\n & + 7.0000D-01 * RXRAT( 318 ) ! LIMNP1+ACO3=0.7000D+00*MO2+...\n & + 5.0000D-01 * RXRAT( 319 ) ! LIMNP2+ACO3=0.5000D+00*MO2+...\n & + 2.0000D+00 * RXRAT( 320 ) ! ACO3+ACO3=0.2000D+01*MO2\n & + RXRAT( 321 ) ! RCO3+ACO3=MO2+ETHP\n & + 5.0000D-01 * RXRAT( 322 ) ! ACTP+ACO3=0.5000D+00*MO2+...\n & + 5.0000D-01 * RXRAT( 323 ) ! MEKP+ACO3=0.5000D+00*MO2+...\n & + 5.0000D-01 * RXRAT( 324 ) ! KETP+ACO3=0.5000D+00*MO2+...\n & + 5.0000D-01 * RXRAT( 325 ) ! MACP+ACO3=0.5000D+00*MO2+...\n & + 5.0000D-01 * RXRAT( 326 ) ! MCP+ACO3=0.5000D+00*MO2+...\n & + 5.0000D-01 * RXRAT( 327 ) ! MVKP+ACO3=0.5000D+00*MO2+...\n & + 5.0000D-01 * RXRAT( 328 ) ! UALP+ACO3=0.5000D+00*MO2+...\n & + RXRAT( 329 ) ! BALP+ACO3=MO2+BAL1\n & + RXRAT( 330 ) ! BAL1+ACO3=MO2+BAL2\n & + RXRAT( 331 ) ! ADDC+ACO3=MO2+0.2000D+...\n & + RXRAT( 332 ) ! MCTP+ACO3=MO2+HO2+MCTO\n & + RXRAT( 333 ) ! ORAP+ACO3=MO2+GLY\n & + RXRAT( 334 ) ! OLNN+ACO3=MO2+HO2+ONIT\n & + 5.0000D-01 * RXRAT( 335 ) ! OLND+ACO3=0.5000D+00*MO2+...\n & + RXRAT( 336 ) ! ADCN+ACO3=MO2+HO2+0.7000D+...\n & + RXRAT( 337 ) ! XO2+ACO3=MO2\n & + 1.4000D-01 * RXRAT( 341 ) ! HC3P+NO3=0.1400D+00*MO2+...\n & + 5.5000D-02 * RXRAT( 342 ) ! HC5P+NO3=0.5500D-01*MO2+...\n & + RXRAT( 353 ) ! ACO3+NO3=MO2+NO2\n & + 2.7000D-02 * RXRAT( 394 ) ! ACRO=0.2700D-01*MO2+...\n & + 7.0000D-01 * RXRAT( 400 ) ! BDE13P+ACO3=0.7000D+00*MO2+...\n & + 1.7000D-01 * RXRAT( 404 ) ! FURANO2+NO=0.1700D+00*MO2+...\n & + 8.0000D-02 * RXRAT( 405 ) ! FURANO2+HO2=0.8000D-01*MO2+...\n & + 3.4000D-01 * RXRAT( 406 ) ! FURANONE+HO=0.3400D+00*MO2+...\n & + 7.0000D-01 * RXRAT( 488 ) ! VROCP6AROP+ACO3=0.7000D+...\n & + 7.0000D-01 * RXRAT( 494 ) ! VROCP5AROP+ACO3=0.7000D+...\n & + 7.0000D-01 * RXRAT( 500 ) ! NAPHP+ACO3=0.7000D+00*MO2+...\n & + 2.5810D-01 * RXRAT( 501 ) ! VROCN2OXY8+HO=0.2581D+...\n & + 7.9400D-02 * RXRAT( 502 ) ! VROCN2OXY4+HO=0.7940D-...\n & + 3.9000D-02 * RXRAT( 503 ) ! VROCN2OXY2+HO=0.3900D-...\n & + 1.8400D-01 * RXRAT( 504 ) ! VROCN1OXY6+HO=0.1840D+...\n & + 6.4600D-02 * RXRAT( 505 ) ! VROCN1OXY3+HO=0.6460D-...\n & + 2.4400D-02 * RXRAT( 506 ) ! VROCN1OXY1+HO=0.2440D-...\n & + 1.0680D-01 * RXRAT( 507 ) ! VROCP0OXY4+HO=0.1068D+...\n & + 4.4500D-02 * RXRAT( 508 ) ! VROCP0OXY2+HO=0.4450D-...\n & + 8.1800D-02 * RXRAT( 509 ) ! VROCP1OXY3+HO=0.8180D-...\n & + 2.9700D-02 * RXRAT( 510 ) ! VROCP1OXY1+HO=0.2970D-...\n & + 6.2800D-02 * RXRAT( 511 ) ! VROCP2OXY2+HO=0.6280D-...\n & + 6.9800D-02 * RXRAT( 512 ) ! VROCP3OXY2+HO=0.6980D-...\n & + 7.8600D-02 * RXRAT( 513 ) ! VROCP4OXY2+HO=0.7860D-...\n & + 5.2600D-02 * RXRAT( 514 ) ! VROCP5OXY1+HO=0.5260D-...\n & + 5.7100D-02 * RXRAT( 515 ) ! VROCP6OXY1+HO=0.5710D-...\n & + 2.2660D-01 * RXRAT( 516 ) ! OP3+HO=0.2266D+00*MO2+...\n LOSS( MO2 ) = RXRAT( 183 ) ! MO2+NO=HO2+NO2+HCHO\n & + RXRAT( 225 ) ! MO2+HO2=OP1\n & + 2.0000D+00 * RXRAT( 263 ) ! MO2+MO2=0.7400D+00*HO2+...\n & + RXRAT( 264 ) ! MO2+ETHP=HO2+0.7500D+...\n & + 9.2000D-01 * RXRAT( 265 ) ! MO2+HC3P=0.8000D-01*MO2+...\n & + 9.8200D-01 * RXRAT( 266 ) ! MO2+HC5P=0.1800D-01*MO2+...\n & + RXRAT( 267 ) ! MO2+ETEP=HO2+0.1950D+...\n & + RXRAT( 268 ) ! MO2+OLTP=HO2+0.1500D+...\n & + RXRAT( 269 ) ! MO2+OLIP=HO2+0.7500D+...\n & + RXRAT( 270 ) ! MO2+BENP=0.6800D+00*HCHO+...\n & + RXRAT( 271 ) ! MO2+TOLP=0.6800D+00*HCHO+...\n & + RXRAT( 272 ) ! MO2+XYMP=0.6800D+00*HCHO+...\n & + RXRAT( 273 ) ! MO2+XYEP=0.6800D+00*HCHO+...\n & + RXRAT( 274 ) ! MO2+ISOP=HO2+0.1310D+...\n & + RXRAT( 275 ) ! MO2+APIP1=HO2+0.6800D+...\n & + RXRAT( 276 ) ! MO2+APIP2=HO2+0.7500D+...\n & + RXRAT( 277 ) ! MO2+APINP1=0.3700D+00*HO2+...\n & + RXRAT( 278 ) ! MO2+APINP2=0.7500D+00*HO2+...\n & + RXRAT( 279 ) ! MO2+LIMP1=HO2+HCHO+0.4200D+...\n & + RXRAT( 280 ) ! MO2+LIMP2=HO2+0.7500D+...\n & + RXRAT( 281 ) ! MO2+LIMNP1=0.3700D+00*HO2+...\n & + RXRAT( 282 ) ! MO2+LIMNP2=0.7500D+00*HO2+...\n & + 1.0000D-01 * RXRAT( 283 ) ! MO2+ACO3=0.9000D+00*MO2+...\n & + 1.0000D-01 * RXRAT( 284 ) ! MO2+RCO3=0.9000D+00*MO2+...\n & + RXRAT( 285 ) ! MO2+ACTP=0.5000D+00*HO2+...\n & + RXRAT( 286 ) ! MO2+MEKP=0.8340D+00*HO2+...\n & + RXRAT( 287 ) ! MO2+KETP=HO2+0.7500D+...\n & + 7.5000D-01 * RXRAT( 288 ) ! MO2+MACP=0.2500D+00*MO2+...\n & + RXRAT( 289 ) ! MO2+MCP=NO2+HO2+0.1500D+...\n & + RXRAT( 290 ) ! MO2+MVKP=HO2+0.1160D+...\n & + RXRAT( 291 ) ! MO2+UALP=HO2+0.3050D+00*CO+...\n & + RXRAT( 292 ) ! MO2+BALP=HO2+BAL1+HCHO\n & + RXRAT( 293 ) ! MO2+BAL1=HO2+BAL2+HCHO\n & + RXRAT( 294 ) ! MO2+ADDC=0.2000D+01*HO2+...\n & + RXRAT( 295 ) ! MO2+MCTP=HO2+MCTO+HCHO\n & + RXRAT( 296 ) ! MO2+ORAP=HCHO+HO2+GLY\n & + RXRAT( 297 ) ! MO2+OLNN=0.2000D+01*HO2+...\n & + RXRAT( 298 ) ! MO2+OLND=0.5000D+00*HO2+...\n & + RXRAT( 299 ) ! MO2+ADCN=HO2+0.7000D+...\n & + RXRAT( 300 ) ! MO2+XO2=HO2+HCHO\n & + RXRAT( 339 ) ! MO2+NO3=HO2+HCHO+NO2\n & + RXRAT( 399 ) ! MO2+BDE13P=0.3200D+00*MOH+...\n & + RXRAT( 487 ) ! MO2+VROCP6AROP=0.6800D+...\n & + RXRAT( 493 ) ! MO2+VROCP5AROP=0.6800D+...\n & + RXRAT( 499 ) ! MO2+NAPHP=0.6800D+00*HCHO+...\n\n PROD( ALD ) = 4.3400D-01 * RXRAT( 16 ) ! UALD=0.4340D+00*ALD+...\n & + RXRAT( 32 ) ! OP2=ALD+HO2+HO\n & + RXRAT( 33 ) ! OPB=ALD+HO2+HO\n & + RXRAT( 34 ) ! OP3=ALD+HO2+HO\n & + 2.0000D-01 * RXRAT( 36 ) ! ONIT=0.2000D+00*ALD+NO2+...\n & + 4.0000D-01 * RXRAT( 120 ) ! DCB1+HO=0.4000D+00*ALD+...\n & + 7.1900D-01 * RXRAT( 129 ) ! ROH+HO=0.7190D+00*ALD+HO2+...\n & + RXRAT( 130 ) ! ETEG+HO=ALD+HO2\n & + 8.0000D-02 * RXRAT( 132 ) ! OP2+HO=0.8000D-01*ALD+...\n & + 8.0000D-02 * RXRAT( 133 ) ! OPB+HO=0.8000D-01*ALD+...\n & + 8.0000D-02 * RXRAT( 134 ) ! OP3+HO=0.8000D-01*ALD+...\n & + 4.4000D-01 * RXRAT( 145 ) ! OLT+O3=0.4400D+00*ALD+...\n & + 7.3000D-01 * RXRAT( 146 ) ! OLI+O3=0.7300D+00*ALD+...\n & + 1.0000D-01 * RXRAT( 152 ) ! MVK+O3=0.1000D+00*ALD+...\n & + 3.3200D-01 * RXRAT( 168 ) ! UALD+NO3=0.3320D+00*ALD+...\n & + 1.3200D-01 * RXRAT( 185 ) ! HC3P+NO=0.1320D+00*ALD+...\n & + 2.0300D-01 * RXRAT( 186 ) ! HC5P+NO=0.2030D+00*ALD+...\n & + 2.0000D-01 * RXRAT( 187 ) ! ETEP+NO=0.2000D+00*ALD+NO2+...\n & + 4.4000D-01 * RXRAT( 188 ) ! OLTP+NO=0.4400D+00*ALD+...\n & + 6.8000D-01 * RXRAT( 189 ) ! OLIP+NO=0.6800D+00*ALD+...\n & + 4.6000D-01 * RXRAT( 208 ) ! KETP+NO=0.4600D+00*ALD+...\n & + 7.0000D-01 * RXRAT( 211 ) ! MVKP+NO=0.7000D+00*ALD+...\n & + 2.7000D-01 * RXRAT( 212 ) ! UALP+NO=0.2700D+00*ALD+NO2+...\n & + 1.2400D+00 * RXRAT( 219 ) ! OLND+NO=0.1240D+01*ALD+...\n & + 1.9800D-01 * RXRAT( 265 ) ! HC3P+MO2=0.1980D+00*ALD+...\n & + 2.5100D-01 * RXRAT( 266 ) ! HC5P+MO2=0.2510D+00*ALD+...\n & + 1.5000D-01 * RXRAT( 267 ) ! ETEP+MO2=0.1500D+00*ALD+...\n & + 7.0500D-01 * RXRAT( 268 ) ! OLTP+MO2=0.7050D+00*ALD+...\n & + 1.2800D+00 * RXRAT( 269 ) ! OLIP+MO2=0.1280D+01*ALD+...\n & + 2.3000D-02 * RXRAT( 274 ) ! ISOP+MO2=0.2300D-01*ALD+...\n & + 1.7500D+00 * RXRAT( 290 ) ! MVKP+MO2=0.1750D+01*ALD+...\n & + 2.0300D-01 * RXRAT( 291 ) ! UALP+MO2=0.2030D+00*ALD+...\n & + 9.3000D-01 * RXRAT( 298 ) ! OLND+MO2=0.9300D+00*ALD+...\n & + 2.7300D-01 * RXRAT( 302 ) ! HC3P+ACO3=0.2730D+00*ALD+...\n & + 3.8100D-01 * RXRAT( 303 ) ! HC5P+ACO3=0.3810D+00*ALD+...\n & + 2.0000D-01 * RXRAT( 304 ) ! ETEP+ACO3=0.2000D+00*ALD+...\n & + 9.4000D-01 * RXRAT( 305 ) ! OLTP+ACO3=0.9400D+00*ALD+...\n & + 1.7100D+00 * RXRAT( 306 ) ! OLIP+ACO3=0.1710D+01*ALD+...\n & + 2.3000D+00 * RXRAT( 327 ) ! MVKP+ACO3=0.2300D+01*ALD+...\n & + 2.7000D-01 * RXRAT( 328 ) ! UALP+ACO3=0.2700D+00*ALD+...\n & + 1.2400D+00 * RXRAT( 335 ) ! OLND+ACO3=0.1240D+01*ALD+...\n & + 1.4700D-01 * RXRAT( 341 ) ! HC3P+NO3=0.1470D+00*ALD+...\n & + 2.4100D-01 * RXRAT( 342 ) ! HC5P+NO3=0.2410D+00*ALD+...\n & + 2.0000D-01 * RXRAT( 343 ) ! ETEP+NO3=0.2000D+00*ALD+...\n & + 4.7000D-01 * RXRAT( 344 ) ! OLTP+NO3=0.4700D+00*ALD+...\n & + 7.2000D-01 * RXRAT( 345 ) ! OLIP+NO3=0.7200D+00*ALD+...\n & + 3.1000D-02 * RXRAT( 350 ) ! ISOP+NO3=0.3100D-01*ALD+...\n & + RXRAT( 351 ) ! APIP1+NO3=ALD+NO2+HO2+KET\n & + 7.0000D-01 * RXRAT( 360 ) ! MVKP+NO3=0.7000D+00*ALD+...\n & + 2.7000D-01 * RXRAT( 361 ) ! UALP+NO3=0.2700D+00*ALD+...\n & + 1.2400D+00 * RXRAT( 368 ) ! OLND+NO3=0.1240D+01*ALD+...\n & + 6.4000D-01 * RXRAT( 371 ) ! OLNN+OLND=0.6400D+00*ALD+...\n & + 1.2100D+00 * RXRAT( 372 ) ! OLND+OLND=0.1210D+01*ALD+...\n & + RXRAT( 407 ) ! FURAN+O3=ALD+0.2000D-01*HO\n & + 3.8700D-01 * RXRAT( 409 ) ! PROG+HO=0.3870D+00*ALD+...\n & + 2.5810D-01 * RXRAT( 501 ) ! VROCN2OXY8+HO=0.2581D+...\n & + 7.9400D-02 * RXRAT( 502 ) ! VROCN2OXY4+HO=0.7940D-...\n & + 3.9000D-02 * RXRAT( 503 ) ! VROCN2OXY2+HO=0.3900D-...\n & + 1.8400D-01 * RXRAT( 504 ) ! VROCN1OXY6+HO=0.1840D+...\n & + 6.4600D-02 * RXRAT( 505 ) ! VROCN1OXY3+HO=0.6460D-...\n & + 2.4400D-02 * RXRAT( 506 ) ! VROCN1OXY1+HO=0.2440D-...\n & + 1.0680D-01 * RXRAT( 507 ) ! VROCP0OXY4+HO=0.1068D+...\n & + 4.4500D-02 * RXRAT( 508 ) ! VROCP0OXY2+HO=0.4450D-...\n & + 8.1800D-02 * RXRAT( 509 ) ! VROCP1OXY3+HO=0.8180D-...\n & + 2.9700D-02 * RXRAT( 510 ) ! VROCP1OXY1+HO=0.2970D-...\n & + 6.2800D-02 * RXRAT( 511 ) ! VROCP2OXY2+HO=0.6280D-...\n & + 6.9800D-02 * RXRAT( 512 ) ! VROCP3OXY2+HO=0.6980D-...\n & + 7.8600D-02 * RXRAT( 513 ) ! VROCP4OXY2+HO=0.7860D-...\n & + 5.2600D-02 * RXRAT( 514 ) ! VROCP5OXY1+HO=0.5260D-...\n & + 5.7100D-02 * RXRAT( 515 ) ! VROCP6OXY1+HO=0.5710D-...\n & + 2.2660D-01 * RXRAT( 516 ) ! OP3+HO=0.2266D+00*ALD+...\n LOSS( ALD ) = RXRAT( 13 ) ! ALD=HO2+ETHP+CO\n & + RXRAT( 110 ) ! ALD+HO=RCO3\n & + RXRAT( 166 ) ! ALD+NO3=RCO3+HNO3\n\n PROD( ETHP ) = RXRAT( 13 ) ! ALD=ETHP+HO2+CO\n & + RXRAT( 19 ) ! MEK=ETHP+0.1000D+00*MO2+...\n & + 1.5000D+00 * RXRAT( 20 ) ! KET=0.1500D+01*ETHP+...\n & + RXRAT( 77 ) ! ETH+HO=ETHP\n & + 6.0000D-02 * RXRAT( 145 ) ! OLT+O3=0.6000D-01*ETHP+...\n & + 7.0000D-02 * RXRAT( 146 ) ! OLI+O3=0.7000D-01*ETHP+...\n & + 4.8000D-02 * RXRAT( 185 ) ! HC3P+NO=0.4800D-01*ETHP+...\n & + 2.3100D-01 * RXRAT( 186 ) ! HC5P+NO=0.2310D+00*ETHP+...\n & + RXRAT( 205 ) ! RCO3+NO=ETHP+NO2\n & + 4.4000D-01 * RXRAT( 247 ) ! RCO3+HO2=0.4400D+00*ETHP+...\n & + 2.6000D-02 * RXRAT( 265 ) ! HC3P+MO2=0.2600D-01*ETHP+...\n & + 1.4000D-01 * RXRAT( 266 ) ! HC5P+MO2=0.1400D+00*ETHP+...\n & + 2.6000D-02 * RXRAT( 302 ) ! HC3P+ACO3=0.2600D-01*ETHP+...\n & + 1.4000D-01 * RXRAT( 303 ) ! HC5P+ACO3=0.1400D+00*ETHP+...\n & + RXRAT( 321 ) ! RCO3+ACO3=ETHP+MO2\n & + 2.0000D+00 * RXRAT( 338 ) ! RCO3+RCO3=0.2000D+01*ETHP\n & + 5.0300D-01 * RXRAT( 341 ) ! HC3P+NO3=0.5030D+00*ETHP+...\n & + 2.8000D-01 * RXRAT( 342 ) ! HC5P+NO3=0.2800D+00*ETHP+...\n & + RXRAT( 354 ) ! RCO3+NO3=ETHP+NO2\n & + RXRAT( 374 ) ! XO2+RCO3=ETHP\n & + 8.5200D-01 * RXRAT( 389 ) ! VROCIOXY+HO=0.8520D+...\n & + RXRAT( 390 ) ! SLOWROC+HO=ETHP+0.1010D-...\n & + 2.5810D-01 * RXRAT( 501 ) ! VROCN2OXY8+HO=0.2581D+...\n & + 7.9400D-02 * RXRAT( 502 ) ! VROCN2OXY4+HO=0.7940D-...\n & + 3.9000D-02 * RXRAT( 503 ) ! VROCN2OXY2+HO=0.3900D-...\n & + 1.8400D-01 * RXRAT( 504 ) ! VROCN1OXY6+HO=0.1840D+...\n & + 6.4600D-02 * RXRAT( 505 ) ! VROCN1OXY3+HO=0.6460D-...\n & + 2.4400D-02 * RXRAT( 506 ) ! VROCN1OXY1+HO=0.2440D-...\n & + 1.0680D-01 * RXRAT( 507 ) ! VROCP0OXY4+HO=0.1068D+...\n & + 4.4500D-02 * RXRAT( 508 ) ! VROCP0OXY2+HO=0.4450D-...\n & + 8.1800D-02 * RXRAT( 509 ) ! VROCP1OXY3+HO=0.8180D-...\n & + 2.9700D-02 * RXRAT( 510 ) ! VROCP1OXY1+HO=0.2970D-...\n & + 6.2800D-02 * RXRAT( 511 ) ! VROCP2OXY2+HO=0.6280D-...\n & + 6.9800D-02 * RXRAT( 512 ) ! VROCP3OXY2+HO=0.6980D-...\n & + 7.8600D-02 * RXRAT( 513 ) ! VROCP4OXY2+HO=0.7860D-...\n & + 5.2600D-02 * RXRAT( 514 ) ! VROCP5OXY1+HO=0.5260D-...\n & + 5.7100D-02 * RXRAT( 515 ) ! VROCP6OXY1+HO=0.5710D-...\n & + 2.2660D-01 * RXRAT( 516 ) ! OP3+HO=0.2266D+00*ETHP+...\n LOSS( ETHP ) = RXRAT( 184 ) ! ETHP+NO=HO2+NO2+ACD\n & + RXRAT( 226 ) ! ETHP+HO2=OP2\n & + RXRAT( 264 ) ! ETHP+MO2=HO2+0.7500D+...\n & + RXRAT( 301 ) ! ETHP+ACO3=0.5000D+00*HO2+...\n & + RXRAT( 340 ) ! ETHP+NO3=HO2+NO2+ACD\n\n PROD( ACT ) = 3.0000D-02 * RXRAT( 145 ) ! OLT+O3=0.3000D-01*ACT+...\n & + 1.1000D-01 * RXRAT( 146 ) ! OLI+O3=0.1100D+00*ACT+...\n & + 1.6500D-01 * RXRAT( 185 ) ! HC3P+NO=0.1650D+00*ACT+...\n & + 2.1700D-01 * RXRAT( 186 ) ! HC5P+NO=0.2170D+00*ACT+...\n & + 6.0000D-02 * RXRAT( 188 ) ! OLTP+NO=0.6000D-01*ACT+...\n & + 2.0000D-01 * RXRAT( 189 ) ! OLIP+NO=0.2000D+00*ACT+...\n & + 9.5000D-02 * RXRAT( 341 ) ! HC3P+NO3=0.9500D-01*ACT+...\n & + 2.4700D-01 * RXRAT( 342 ) ! HC5P+NO3=0.2470D+00*ACT+...\n & + 9.0000D-02 * RXRAT( 344 ) ! OLTP+NO3=0.9000D-01*ACT+...\n & + 2.0000D-01 * RXRAT( 345 ) ! OLIP+NO3=0.2000D+00*ACT+...\n LOSS( ACT ) = RXRAT( 14 ) ! ACT=MO2+ACO3\n & + RXRAT( 15 ) ! ACT=0.2000D+01*MO2+CO\n & + RXRAT( 111 ) ! ACT+HO=ACTP\n\n PROD( UALD ) = 7.0000D-01 * RXRAT( 23 ) ! MVK=0.7000D+00*UALD+...\n & + 2.8000D-01 * RXRAT( 198 ) ! LIMP1+NO=0.2800D+00*UALD+...\n & + 3.3300D-01 * RXRAT( 395 ) ! BDE13+HO=0.3330D+00*UALD+...\n & + 1.9000D-02 * RXRAT( 399 ) ! BDE13P+MO2=0.1900D-01*UALD+...\n & + 1.5000D-02 * RXRAT( 400 ) ! BDE13P+ACO3=0.1500D-...\n LOSS( UALD ) = RXRAT( 16 ) ! UALD=0.1220D+01*HO2+...\n & + RXRAT( 117 ) ! UALD+HO=0.3130D+00*ACO3+...\n & + RXRAT( 153 ) ! UALD+O3=0.1000D+00*HO+...\n & + RXRAT( 168 ) ! UALD+NO3=HO2+XO2+0.6680D+...\n\n PROD( KET ) = 2.1600D-01 * RXRAT( 16 ) ! UALD=0.2160D+00*KET+...\n & + 8.0000D-01 * RXRAT( 36 ) ! ONIT=0.8000D+00*KET+NO2+...\n & + 7.8000D-01 * RXRAT( 120 ) ! DCB1+HO=0.7800D+00*KET+...\n & + 4.1000D-01 * RXRAT( 132 ) ! OP2+HO=0.4100D+00*KET+...\n & + 4.1000D-01 * RXRAT( 133 ) ! OPB+HO=0.4100D+00*KET+...\n & + 4.1000D-01 * RXRAT( 134 ) ! OP3+HO=0.4100D+00*KET+...\n & + 1.7000D-02 * RXRAT( 146 ) ! OLI+O3=0.1700D-01*KET+...\n & + 3.3000D-01 * RXRAT( 149 ) ! LIMAL+O3=0.3300D+00*KET+...\n & + 2.8000D-02 * RXRAT( 153 ) ! UALD+O3=0.2800D-01*KET+...\n & + 3.3000D-02 * RXRAT( 186 ) ! HC5P+NO=0.3300D-01*KET+...\n & + 9.0000D-02 * RXRAT( 189 ) ! OLIP+NO=0.9000D-01*KET+...\n & + 9.5000D-01 * RXRAT( 202 ) ! PINALP+NO=0.9500D+00*KET+...\n & + 9.4000D-01 * RXRAT( 203 ) ! LIMALP+NO=0.9400D+00*KET+...\n & + 7.0000D-01 * RXRAT( 212 ) ! UALP+NO=0.7000D+00*KET+NO2+...\n & + 4.6400D-01 * RXRAT( 219 ) ! OLND+NO=0.4640D+00*KET+...\n & + 4.9700D-01 * RXRAT( 265 ) ! HC3P+MO2=0.4970D+00*KET+...\n & + 6.1800D-01 * RXRAT( 266 ) ! HC5P+MO2=0.6180D+00*KET+...\n & + 4.5000D-02 * RXRAT( 268 ) ! OLTP+MO2=0.4500D-01*KET+...\n & + 2.1800D-01 * RXRAT( 269 ) ! OLIP+MO2=0.2180D+00*KET+...\n & + 7.0000D-02 * RXRAT( 275 ) ! APIP1+MO2=0.7000D-01*KET+...\n & + 3.0000D-01 * RXRAT( 279 ) ! LIMP1+MO2=0.3000D+00*KET+...\n & + 5.2500D-01 * RXRAT( 291 ) ! UALP+MO2=0.5250D+00*KET+...\n & + 3.4800D-01 * RXRAT( 298 ) ! OLND+MO2=0.3480D+00*KET+...\n & + 6.6200D-01 * RXRAT( 302 ) ! HC3P+ACO3=0.6620D+00*KET+...\n & + 8.2400D-01 * RXRAT( 303 ) ! HC5P+ACO3=0.8240D+00*KET+...\n & + 6.0000D-02 * RXRAT( 305 ) ! OLTP+ACO3=0.6000D-01*KET+...\n & + 2.9000D-01 * RXRAT( 306 ) ! OLIP+ACO3=0.2900D+00*KET+...\n & + 7.0000D-02 * RXRAT( 312 ) ! APIP1+ACO3=0.7000D-01*KET+...\n & + 3.0000D-01 * RXRAT( 316 ) ! LIMP1+ACO3=0.3000D+00*KET+...\n & + 7.0000D-01 * RXRAT( 328 ) ! UALP+ACO3=0.7000D+00*KET+...\n & + 4.6400D-01 * RXRAT( 335 ) ! OLND+ACO3=0.4640D+00*KET+...\n & + 6.0000D-02 * RXRAT( 342 ) ! HC5P+NO3=0.6000D-01*KET+...\n & + 1.1000D-01 * RXRAT( 345 ) ! OLIP+NO3=0.1100D+00*KET+...\n & + RXRAT( 351 ) ! APIP1+NO3=KET+NO2+ALD+HO2\n & + 7.0000D-01 * RXRAT( 361 ) ! UALP+NO3=0.7000D+00*KET+...\n & + 4.6400D-01 * RXRAT( 368 ) ! OLND+NO3=0.4640D+00*KET+...\n & + 1.4900D-01 * RXRAT( 371 ) ! OLNN+OLND=0.1490D+00*KET+...\n & + 2.8500D-01 * RXRAT( 372 ) ! OLND+OLND=0.2850D+00*KET+...\n & + 6.5000D-01 * RXRAT( 406 ) ! FURANONE+HO=0.6500D+00*KET+...\n & + 8.8000D-01 * RXRAT( 468 ) ! HC10P2+NO=0.8800D+00*KET+...\n & + RXRAT( 475 ) ! HC10P2+NO3=KET+NO2+HO2\n & + 7.9400D-02 * RXRAT( 502 ) ! VROCN2OXY4+HO=0.7940D-...\n & + 1.8400D-01 * RXRAT( 504 ) ! VROCN1OXY6+HO=0.1840D+...\n & + 1.0680D-01 * RXRAT( 507 ) ! VROCP0OXY4+HO=0.1068D+...\n LOSS( KET ) = RXRAT( 20 ) ! KET=0.1500D+01*ETHP+...\n & + RXRAT( 113 ) ! KET+HO=KETP\n\n PROD( PINAL ) = 5.0000D-02 * RXRAT( 147 ) ! API+O3=0.5000D-01*PINAL+...\n & + 8.2000D-01 * RXRAT( 194 ) ! APIP1+NO=0.8200D+00*PINAL+...\n & + RXRAT( 196 ) ! APINP1+NO=PINAL+0.2000D+01*NO2\n & + 6.0000D-01 * RXRAT( 275 ) ! APIP1+MO2=0.6000D+00*PINAL+...\n & + 8.6000D-01 * RXRAT( 277 ) ! APINP1+MO2=0.8600D+...\n & + 6.0000D-01 * RXRAT( 312 ) ! APIP1+ACO3=0.6000D+...\n & + 8.6000D-01 * RXRAT( 314 ) ! APINP1+ACO3=0.8600D+...\n & + 4.8000D-01 * RXRAT( 376 ) ! APIP2+APIP1=0.4800D+...\n & + 4.8000D-01 * RXRAT( 379 ) ! LIMP2+APIP1=0.4800D+...\n & + 4.8000D-01 * RXRAT( 382 ) ! APINP2+APIP1=0.4800D+...\n & + 4.8000D-01 * RXRAT( 385 ) ! LIMNP2+APIP1=0.4800D+...\n LOSS( PINAL ) = RXRAT( 17 ) ! PINAL=HO2+HC10P+CO\n & + RXRAT( 106 ) ! PINAL+HO=0.2300D+00*PINALP+...\n\n PROD( HC10P ) = RXRAT( 17 ) ! PINAL=HC10P+HO2+CO\n & + RXRAT( 18 ) ! LIMAL=HC10P+HO2+CO\n & + 4.4000D-01 * RXRAT( 133 ) ! OPB+HO=0.4400D+00*HC10P+...\n & + 4.4000D-01 * RXRAT( 134 ) ! OP3+HO=0.4400D+00*HC10P+...\n & + 6.7000D-01 * RXRAT( 149 ) ! LIMAL+O3=0.6700D+00*HC10P+...\n & + RXRAT( 433 ) ! HC10+HO=HC10P\n LOSS( HC10P ) = RXRAT( 440 ) ! HC10P+NO=0.7400D+00*HC10P2+...\n & + RXRAT( 447 ) ! HC10P+NO3=HC10P2+NO2\n & + RXRAT( 454 ) ! HC10P+HO2=OP2\n\n PROD( LIMAL ) = 5.0000D-02 * RXRAT( 148 ) ! LIM+O3=0.5000D-01*LIMAL+...\n & + 4.9000D-01 * RXRAT( 198 ) ! LIMP1+NO=0.4900D+00*LIMAL+...\n & + RXRAT( 200 ) ! LIMNP1+NO=LIMAL+0.2000D+01*NO2\n & + 4.2000D-01 * RXRAT( 279 ) ! LIMP1+MO2=0.4200D+00*LIMAL+...\n & + 7.0000D-01 * RXRAT( 281 ) ! LIMNP1+MO2=0.7000D+...\n & + 4.2000D-01 * RXRAT( 316 ) ! LIMP1+ACO3=0.4200D+...\n & + 7.0000D-01 * RXRAT( 318 ) ! LIMNP1+ACO3=0.7000D+...\n & + 4.8000D-01 * RXRAT( 377 ) ! APIP2+LIMP1=0.4800D+...\n & + 4.8000D-01 * RXRAT( 380 ) ! LIMP2+LIMP1=0.4800D+...\n & + 4.8000D-01 * RXRAT( 383 ) ! APINP2+LIMP1=0.4800D+...\n & + 4.8000D-01 * RXRAT( 386 ) ! LIMNP2+LIMP1=0.4800D+...\n LOSS( LIMAL ) = RXRAT( 18 ) ! LIMAL=HO2+HC10P+CO\n & + RXRAT( 107 ) ! LIMAL+HO=0.7000D+00*LIMALP+...\n & + RXRAT( 149 ) ! LIMAL+O3=0.4000D-01*HO+...\n\n PROD( MEK ) = 1.3000D-01 * RXRAT( 121 ) ! DCB2+HO=0.1300D+00*MEK+...\n & + 6.0000D-02 * RXRAT( 145 ) ! OLT+O3=0.6000D-01*MEK+...\n & + 4.2000D-02 * RXRAT( 185 ) ! HC3P+NO=0.4200D-01*MEK+...\n & + 3.3000D-02 * RXRAT( 186 ) ! HC5P+NO=0.3300D-01*MEK+...\n & + 1.3000D-01 * RXRAT( 188 ) ! OLTP+NO=0.1300D+00*MEK+...\n & + 7.5000D-02 * RXRAT( 341 ) ! HC3P+NO3=0.7500D-01*MEK+...\n & + 6.3000D-02 * RXRAT( 342 ) ! HC5P+NO3=0.6300D-01*MEK+...\n & + 1.8000D-01 * RXRAT( 344 ) ! OLTP+NO3=0.1800D+00*MEK+...\n & + 2.5810D-01 * RXRAT( 501 ) ! VROCN2OXY8+HO=0.2581D+...\n & + 7.9400D-02 * RXRAT( 502 ) ! VROCN2OXY4+HO=0.7940D-...\n & + 3.9000D-02 * RXRAT( 503 ) ! VROCN2OXY2+HO=0.3900D-...\n & + 1.8400D-01 * RXRAT( 504 ) ! VROCN1OXY6+HO=0.1840D+...\n & + 6.4600D-02 * RXRAT( 505 ) ! VROCN1OXY3+HO=0.6460D-...\n & + 2.4400D-02 * RXRAT( 506 ) ! VROCN1OXY1+HO=0.2440D-...\n & + 1.0680D-01 * RXRAT( 507 ) ! VROCP0OXY4+HO=0.1068D+...\n & + 4.4500D-02 * RXRAT( 508 ) ! VROCP0OXY2+HO=0.4450D-...\n & + 8.1800D-02 * RXRAT( 509 ) ! VROCP1OXY3+HO=0.8180D-...\n & + 2.9700D-02 * RXRAT( 510 ) ! VROCP1OXY1+HO=0.2970D-...\n & + 6.2800D-02 * RXRAT( 511 ) ! VROCP2OXY2+HO=0.6280D-...\n & + 6.9800D-02 * RXRAT( 512 ) ! VROCP3OXY2+HO=0.6980D-...\n & + 7.8600D-02 * RXRAT( 513 ) ! VROCP4OXY2+HO=0.7860D-...\n & + 5.2600D-02 * RXRAT( 514 ) ! VROCP5OXY1+HO=0.5260D-...\n & + 5.7100D-02 * RXRAT( 515 ) ! VROCP6OXY1+HO=0.5710D-...\n & + 2.2660D-01 * RXRAT( 516 ) ! OP3+HO=0.2266D+00*MEK+...\n LOSS( MEK ) = RXRAT( 19 ) ! MEK=0.1000D+00*MO2+ETHP+...\n & + RXRAT( 112 ) ! MEK+HO=MEKP\n\n PROD( HKET ) = RXRAT( 141 ) ! MPAN+HO=HKET+NO2\n & + 1.0000D-02 * RXRAT( 145 ) ! OLT+O3=0.1000D-01*HKET+...\n & + 4.4000D-02 * RXRAT( 146 ) ! OLI+O3=0.4400D-01*HKET+...\n & + 2.7200D-01 * RXRAT( 186 ) ! HC5P+NO=0.2720D+00*HKET+...\n & + 2.0000D-02 * RXRAT( 189 ) ! OLIP+NO=0.2000D-01*HKET+...\n & + RXRAT( 210 ) ! MCP+NO=HKET+0.5000D+00*HO2+...\n & + 3.2000D-01 * RXRAT( 215 ) ! ADDC+NO=0.3200D+00*HKET+...\n & + 1.6000D-02 * RXRAT( 274 ) ! ISOP+MO2=0.1600D-01*HKET+...\n & + 5.0000D-01 * RXRAT( 289 ) ! MCP+MO2=0.5000D+00*HKET+...\n & + 3.2000D-01 * RXRAT( 294 ) ! ADDC+MO2=0.3200D+00*HKET+...\n & + 5.0000D-01 * RXRAT( 326 ) ! MCP+ACO3=0.5000D+00*HKET+...\n & + 3.2000D-01 * RXRAT( 331 ) ! ADDC+ACO3=0.3200D+00*HKET+...\n & + 2.7500D-01 * RXRAT( 342 ) ! HC5P+NO3=0.2750D+00*HKET+...\n & + 4.0000D-02 * RXRAT( 345 ) ! OLIP+NO3=0.4000D-01*HKET+...\n & + 3.3000D-02 * RXRAT( 350 ) ! ISOP+NO3=0.3300D-01*HKET+...\n & + RXRAT( 359 ) ! MCP+NO3=HKET+HO2+HCHO+NO2\n & + 3.2000D-01 * RXRAT( 364 ) ! ADDC+NO3=0.3200D+00*HKET+...\n & + 6.1300D-01 * RXRAT( 409 ) ! PROG+HO=0.6130D+00*HKET+...\n & + 3.9000D-02 * RXRAT( 503 ) ! VROCN2OXY2+HO=0.3900D-...\n & + 6.4600D-02 * RXRAT( 505 ) ! VROCN1OXY3+HO=0.6460D-...\n & + 2.4400D-02 * RXRAT( 506 ) ! VROCN1OXY1+HO=0.2440D-...\n & + 4.4500D-02 * RXRAT( 508 ) ! VROCP0OXY2+HO=0.4450D-...\n & + 8.1800D-02 * RXRAT( 509 ) ! VROCP1OXY3+HO=0.8180D-...\n & + 2.9700D-02 * RXRAT( 510 ) ! VROCP1OXY1+HO=0.2970D-...\n & + 6.2800D-02 * RXRAT( 511 ) ! VROCP2OXY2+HO=0.6280D-...\n & + 6.9800D-02 * RXRAT( 512 ) ! VROCP3OXY2+HO=0.6980D-...\n & + 7.8600D-02 * RXRAT( 513 ) ! VROCP4OXY2+HO=0.7860D-...\n & + 5.2600D-02 * RXRAT( 514 ) ! VROCP5OXY1+HO=0.5260D-...\n & + 5.7100D-02 * RXRAT( 515 ) ! VROCP6OXY1+HO=0.5710D-...\n LOSS( HKET ) = RXRAT( 21 ) ! HKET=HO2+ACO3+HCHO\n & + RXRAT( 114 ) ! HKET+HO=HO2+MGLY\n\n PROD( MACR ) = 5.3100D-01 * RXRAT( 88 ) ! ISO+O3=0.5310D+00*MACR+...\n & + 2.8000D-01 * RXRAT( 92 ) ! ISOP+NO=0.2800D+00*MACR+...\n & + 4.0000D-01 * RXRAT( 96 ) ! IPN+HO2=0.4000D+00*MACR+...\n & + 1.5000D-01 * RXRAT( 98 ) ! ISHP+HO=0.1500D+00*MACR+...\n & + 1.5900D-01 * RXRAT( 274 ) ! ISOP+MO2=0.1590D+00*MACR+...\n & + 2.1900D-01 * RXRAT( 311 ) ! ISOP+ACO3=0.2190D+00*MACR+...\n & + 3.1800D-01 * RXRAT( 350 ) ! ISOP+NO3=0.3180D+00*MACR+...\n & + 6.1500D-01 * RXRAT( 352 ) ! LIMP1+NO3=0.6150D+00*MACR+...\n LOSS( MACR ) = RXRAT( 22 ) ! MACR=0.3400D+00*HO+0.6600D+...\n & + RXRAT( 115 ) ! MACR+HO=0.5700D+00*MACP+...\n & + RXRAT( 151 ) ! MACR+O3=0.1900D+00*HO+...\n & + RXRAT( 167 ) ! MACR+NO3=0.6800D+00*HCHO+...\n\n PROD( MACP ) = 3.3000D-01 * RXRAT( 22 ) ! MACR=0.3300D+00*MACP+...\n & + 3.0000D-01 * RXRAT( 23 ) ! MVK=0.3000D+00*MACP+...\n & + 1.0000D-01 * RXRAT( 88 ) ! ISO+O3=0.1000D+00*MACP+...\n & + 5.7000D-01 * RXRAT( 115 ) ! MACR+HO=0.5700D+00*MACP+...\n & + 2.1000D-01 * RXRAT( 122 ) ! DCB3+HO=0.2100D+00*MACP+...\n & + RXRAT( 135 ) ! MAHP+HO=MACP\n & + 3.2000D-01 * RXRAT( 167 ) ! MACR+NO3=0.3200D+00*MACP+...\n & + RXRAT( 174 ) ! MPAN+NO3=MACP+NO2\n & + RXRAT( 182 ) ! MPAN=MACP+NO2\n & + 5.7000D-01 * RXRAT( 391 ) ! ACRO+HO=0.5700D+00*MACP+...\n & + 3.2000D-01 * RXRAT( 393 ) ! ACRO+NO3=0.3200D+00*MACP+...\n LOSS( MACP ) = RXRAT( 181 ) ! MACP+NO2=MPAN\n & + RXRAT( 209 ) ! MACP+NO=0.6500D+00*MO2+...\n & + RXRAT( 251 ) ! MACP+HO2=MAHP\n & + RXRAT( 288 ) ! MACP+MO2=0.5000D+00*HO2+...\n & + RXRAT( 325 ) ! MACP+ACO3=0.6350D+00*ORA2+...\n & + RXRAT( 358 ) ! MACP+NO3=HCHO+0.5380D+...\n\n PROD( XO2 ) = 3.4000D-01 * RXRAT( 22 ) ! MACR=0.3400D+00*XO2+...\n & + 2.0000D-01 * RXRAT( 28 ) ! DCB1=0.2000D+00*XO2+...\n & + 2.0000D-01 * RXRAT( 29 ) ! DCB2=0.2000D+00*XO2+...\n & + 7.0000D-02 * RXRAT( 132 ) ! OP2+HO=0.7000D-01*XO2+...\n & + 7.0000D-02 * RXRAT( 133 ) ! OPB+HO=0.7000D-01*XO2+...\n & + 7.0000D-02 * RXRAT( 134 ) ! OP3+HO=0.7000D-01*XO2+...\n & + 3.5000D-01 * RXRAT( 138 ) ! PAA+HO=0.3500D+00*XO2+...\n & + RXRAT( 139 ) ! PAN+HO=XO2+NO3+HCHO\n & + RXRAT( 140 ) ! PPN+HO=XO2+NO3+HCHO\n & + 1.0000D-02 * RXRAT( 152 ) ! MVK+O3=0.1000D-01*XO2+...\n & + 1.0000D-01 * RXRAT( 153 ) ! UALD+O3=0.1000D+00*XO2+...\n & + 6.0000D-01 * RXRAT( 154 ) ! DCB1+O3=0.6000D+00*XO2+HO2+...\n & + 6.0000D-01 * RXRAT( 155 ) ! DCB2+O3=0.6000D+00*XO2+HO2+...\n & + 6.8000D-01 * RXRAT( 167 ) ! MACR+NO3=0.6800D+00*XO2+...\n & + RXRAT( 168 ) ! UALD+NO3=XO2+HO2+0.6680D+...\n & + 8.9000D-02 * RXRAT( 185 ) ! HC3P+NO=0.8900D-01*XO2+...\n & + 2.3500D-01 * RXRAT( 186 ) ! HC5P+NO=0.2350D+00*XO2+...\n & + 1.6000D-01 * RXRAT( 208 ) ! KETP+NO=0.1600D+00*XO2+...\n & + 7.0000D-01 * RXRAT( 211 ) ! MVKP+NO=0.7000D+00*XO2+...\n & + 2.6000D-02 * RXRAT( 265 ) ! HC3P+MO2=0.2600D-01*XO2+...\n & + 1.9100D-01 * RXRAT( 266 ) ! HC5P+MO2=0.1910D+00*XO2+...\n & + 1.1600D+00 * RXRAT( 290 ) ! MVKP+MO2=0.1160D+01*XO2+...\n & + 2.6000D-02 * RXRAT( 302 ) ! HC3P+ACO3=0.2600D-01*XO2+...\n & + 1.9100D-01 * RXRAT( 303 ) ! HC5P+ACO3=0.1910D+00*XO2+...\n & + 1.1600D+00 * RXRAT( 327 ) ! MVKP+ACO3=0.1160D+01*XO2+...\n & + 9.2000D-02 * RXRAT( 341 ) ! HC3P+NO3=0.9200D-01*XO2+...\n & + 4.8500D-01 * RXRAT( 342 ) ! HC5P+NO3=0.4850D+00*XO2+...\n & + 7.0000D-01 * RXRAT( 360 ) ! MVKP+NO3=0.7000D+00*XO2+...\n & + 6.8000D-01 * RXRAT( 393 ) ! ACRO+NO3=0.6800D+00*XO2+...\n LOSS( XO2 ) = RXRAT( 221 ) ! XO2+NO=NO2\n & + RXRAT( 262 ) ! XO2+HO2=OP2\n & + RXRAT( 300 ) ! XO2+MO2=HO2+HCHO\n & + RXRAT( 337 ) ! XO2+ACO3=MO2\n & + RXRAT( 373 ) ! XO2+NO3=NO2\n & + RXRAT( 374 ) ! XO2+RCO3=ETHP\n & + 2.0000D+00 * RXRAT( 375 ) ! XO2+XO2=\n\n PROD( MVK ) = 1.8900D-01 * RXRAT( 88 ) ! ISO+O3=0.1890D+00*MVK+...\n & + 4.4000D-01 * RXRAT( 92 ) ! ISOP+NO=0.4400D+00*MVK+...\n & + 8.0000D-01 * RXRAT( 95 ) ! INO2+NO=0.8000D+00*MVK+...\n & + 9.4000D-01 * RXRAT( 96 ) ! IPN+HO2=0.9400D+00*MVK+HO2+...\n & + 2.0000D-01 * RXRAT( 98 ) ! ISHP+HO=0.2000D+00*MVK+...\n & + 2.5000D-01 * RXRAT( 274 ) ! ISOP+MO2=0.2500D+00*MVK+...\n & + 3.0500D-01 * RXRAT( 311 ) ! ISOP+ACO3=0.3050D+00*MVK+...\n & + 5.0000D-01 * RXRAT( 350 ) ! ISOP+NO3=0.5000D+00*MVK+...\n & + 4.8000D-01 * RXRAT( 378 ) ! APIP2+ISOP=0.4800D+00*MVK+...\n & + 4.8000D-01 * RXRAT( 381 ) ! LIMP2+ISOP=0.4800D+00*MVK+...\n & + 4.8000D-01 * RXRAT( 384 ) ! APINP2+ISOP=0.4800D+00*MVK+...\n & + 4.8000D-01 * RXRAT( 387 ) ! LIMNP2+ISOP=0.4800D+00*MVK+...\n & + 2.3100D-01 * RXRAT( 399 ) ! BDE13P+MO2=0.2310D+00*MVK+...\n & + 1.8500D-01 * RXRAT( 400 ) ! BDE13P+ACO3=0.1850D+00*MVK+...\n LOSS( MVK ) = RXRAT( 23 ) ! MVK=0.3000D+00*MO2+0.3000D+...\n & + RXRAT( 116 ) ! MVK+HO=MVKP\n & + RXRAT( 152 ) ! MVK+O3=0.1600D+00*HO+...\n\n PROD( GLY ) = 5.0000D-01 * RXRAT( 28 ) ! DCB1=0.5000D+00*GLY+...\n & + 5.0000D-01 * RXRAT( 29 ) ! DCB2=0.5000D+00*GLY+...\n & + 6.5000D-01 * RXRAT( 83 ) ! ACE+HO=0.6500D+00*GLY+...\n & + 2.1000D-02 * RXRAT( 92 ) ! ISOP+NO=0.2100D-01*GLY+...\n & + 5.0000D-02 * RXRAT( 96 ) ! IPN+HO2=0.5000D-01*GLY+HO2+...\n & + 2.0000D-02 * RXRAT( 98 ) ! ISHP+HO=0.2000D-01*GLY+...\n & + 1.0000D-01 * RXRAT( 120 ) ! DCB1+HO=0.1000D+00*GLY+...\n & + 1.0000D-01 * RXRAT( 121 ) ! DCB2+HO=0.1000D+00*GLY+...\n & + 2.7000D-01 * RXRAT( 122 ) ! DCB3+HO=0.2700D+00*GLY+...\n & + 4.9100D-01 * RXRAT( 153 ) ! UALD+O3=0.4910D+00*GLY+...\n & + 5.0000D-02 * RXRAT( 154 ) ! DCB1+O3=0.5000D-01*GLY+HO2+...\n & + 5.0000D-02 * RXRAT( 155 ) ! DCB2+O3=0.5000D-01*GLY+HO2+...\n & + 4.8000D-01 * RXRAT( 156 ) ! DCB3+O3=0.4800D+00*GLY+HO2+...\n & + 9.9800D-01 * RXRAT( 190 ) ! BENP+NO=0.9980D+00*GLY+...\n & + 5.4770D-01 * RXRAT( 191 ) ! TOLP+NO=0.5477D+00*GLY+...\n & + 7.0290D-01 * RXRAT( 192 ) ! XYMP+NO=0.7029D+00*GLY+...\n & + 5.4770D-01 * RXRAT( 193 ) ! XYEP+NO=0.5477D+00*GLY+...\n & + 1.8000D-01 * RXRAT( 212 ) ! UALP+NO=0.1800D+00*GLY+NO2+...\n & + 6.8000D-01 * RXRAT( 215 ) ! ADDC+NO=0.6800D+00*GLY+NO2+...\n & + RXRAT( 217 ) ! ORAP+NO=GLY+NO2+HO2\n & + RXRAT( 220 ) ! ADCN+NO=GLY+0.2000D+01*NO2+OP2\n & + 5.0000D-02 * RXRAT( 265 ) ! HC3P+MO2=0.5000D-01*GLY+...\n & + RXRAT( 270 ) ! BENP+MO2=GLY+0.1370D+...\n & + 5.4880D-01 * RXRAT( 271 ) ! TOLP+MO2=0.5488D+00*GLY+...\n & + 7.0430D-01 * RXRAT( 272 ) ! XYMP+MO2=0.7043D+00*GLY+...\n & + 5.4880D-01 * RXRAT( 273 ) ! XYEP+MO2=0.5488D+00*GLY+...\n & + 1.8000D-02 * RXRAT( 274 ) ! ISOP+MO2=0.1800D-01*GLY+...\n & + 1.3500D-01 * RXRAT( 291 ) ! UALP+MO2=0.1350D+00*GLY+...\n & + 6.8000D-01 * RXRAT( 294 ) ! ADDC+MO2=0.6800D+00*GLY+...\n & + RXRAT( 296 ) ! ORAP+MO2=GLY+HO2+HCHO\n & + 7.0000D-01 * RXRAT( 299 ) ! ADCN+MO2=0.7000D+00*GLY+...\n & + 6.7000D-02 * RXRAT( 302 ) ! HC3P+ACO3=0.6700D-01*GLY+...\n & + RXRAT( 307 ) ! BENP+ACO3=GLY+HO2+0.3000D+...\n & + 5.4880D-01 * RXRAT( 308 ) ! TOLP+ACO3=0.5488D+00*GLY+...\n & + 7.0430D-01 * RXRAT( 309 ) ! XYMP+ACO3=0.7043D+00*GLY+...\n & + 5.4880D-01 * RXRAT( 310 ) ! XYEP+ACO3=0.5488D+00*GLY+...\n & + 1.8000D-01 * RXRAT( 328 ) ! UALP+ACO3=0.1800D+00*GLY+...\n & + 6.8000D-01 * RXRAT( 331 ) ! ADDC+ACO3=0.6800D+00*GLY+...\n & + RXRAT( 333 ) ! ORAP+ACO3=GLY+MO2\n & + 7.0000D-01 * RXRAT( 336 ) ! ADCN+ACO3=0.7000D+00*GLY+...\n & + RXRAT( 346 ) ! BENP+NO3=GLY+HO2+0.0000D+...\n & + 5.4880D-01 * RXRAT( 347 ) ! TOLP+NO3=0.5488D+00*GLY+...\n & + 7.0430D-01 * RXRAT( 348 ) ! XYMP+NO3=0.7043D+00*GLY+...\n & + 5.4880D-01 * RXRAT( 349 ) ! XYEP+NO3=0.5488D+00*GLY+...\n & + 2.4000D-02 * RXRAT( 350 ) ! ISOP+NO3=0.2400D-01*GLY+...\n & + 1.8000D-01 * RXRAT( 361 ) ! UALP+NO3=0.1800D+00*GLY+...\n & + 6.8000D-01 * RXRAT( 364 ) ! ADDC+NO3=0.6800D+00*GLY+...\n & + RXRAT( 366 ) ! ORAP+NO3=GLY+NO2+HO2\n & + RXRAT( 369 ) ! ADCN+NO3=GLY+0.2000D+...\n & + 6.2000D-01 * RXRAT( 392 ) ! ACRO+O3=0.6200D+00*GLY+...\n & + 3.1000D-01 * RXRAT( 406 ) ! FURANONE+HO=0.3100D+00*GLY+...\n & + 4.6930D-01 * RXRAT( 485 ) ! VROCP6AROP+NO=0.4693D+...\n & + 4.7020D-01 * RXRAT( 486 ) ! VROCP6AROP+NO3=0.4702D+...\n & + 4.7020D-01 * RXRAT( 487 ) ! VROCP6AROP+MO2=0.4702D+...\n & + 4.7020D-01 * RXRAT( 488 ) ! VROCP6AROP+ACO3=0.4702D+...\n & + 4.6930D-01 * RXRAT( 491 ) ! VROCP5AROP+NO=0.4693D+...\n & + 4.7020D-01 * RXRAT( 492 ) ! VROCP5AROP+NO3=0.4702D+...\n & + 4.7020D-01 * RXRAT( 493 ) ! VROCP5AROP+MO2=0.4702D+...\n & + 4.7020D-01 * RXRAT( 494 ) ! VROCP5AROP+ACO3=0.4702D+...\n & + 4.6930D-01 * RXRAT( 497 ) ! NAPHP+NO=0.4693D+00*GLY+...\n & + 4.7020D-01 * RXRAT( 498 ) ! NAPHP+NO3=0.4702D+00*GLY+...\n & + 4.7020D-01 * RXRAT( 499 ) ! NAPHP+MO2=0.4702D+00*GLY+...\n & + 4.7020D-01 * RXRAT( 500 ) ! NAPHP+ACO3=0.4702D+00*GLY+...\n LOSS( GLY ) = RXRAT( 24 ) ! GLY=0.2000D+01*CO\n & + RXRAT( 25 ) ! GLY=HCHO+CO\n & + RXRAT( 26 ) ! GLY=0.2000D+01*HO2+0.2000D+...\n & + RXRAT( 118 ) ! GLY+HO=HO2+0.2000D+01*CO\n & + RXRAT( 169 ) ! GLY+NO3=HO2+0.2000D+01*CO+HNO3\n & + RXRAT( 419 ) ! GLY=AGLYJ\n\n PROD( MGLY ) = 5.0000D-01 * RXRAT( 28 ) ! DCB1=0.5000D+00*MGLY+...\n & + 5.0000D-01 * RXRAT( 29 ) ! DCB2=0.5000D+00*MGLY+...\n & + 5.0000D-01 * RXRAT( 95 ) ! INO2+NO=0.5000D+00*MGLY+...\n & + 1.0000D-01 * RXRAT( 96 ) ! IPN+HO2=0.1000D+00*MGLY+...\n & + 5.0000D-02 * RXRAT( 98 ) ! ISHP+HO=0.5000D-01*MGLY+...\n & + 1.0000D-01 * RXRAT( 99 ) ! ISHP=0.1000D+00*MGLY+...\n & + RXRAT( 114 ) ! HKET+HO=MGLY+HO2\n & + 1.0000D-02 * RXRAT( 120 ) ! DCB1+HO=0.1000D-01*MGLY+...\n & + 1.0000D-02 * RXRAT( 121 ) ! DCB2+HO=0.1000D-01*MGLY+...\n & + 1.0000D-02 * RXRAT( 122 ) ! DCB3+HO=0.1000D-01*MGLY+...\n & + 5.0000D-01 * RXRAT( 151 ) ! MACR+O3=0.5000D+00*MGLY+...\n & + 5.4000D-01 * RXRAT( 152 ) ! MVK+O3=0.5400D+00*MGLY+...\n & + 3.0000D-03 * RXRAT( 153 ) ! UALD+O3=0.3000D-02*MGLY+...\n & + 8.0000D-02 * RXRAT( 154 ) ! DCB1+O3=0.8000D-01*MGLY+...\n & + 8.0000D-02 * RXRAT( 155 ) ! DCB2+O3=0.8000D-01*MGLY+...\n & + 6.8000D-01 * RXRAT( 167 ) ! MACR+NO3=0.6800D+00*MGLY+...\n & + 3.6510D-01 * RXRAT( 191 ) ! TOLP+NO=0.3651D+00*MGLY+...\n & + 2.4700D-01 * RXRAT( 192 ) ! XYMP+NO=0.2470D+00*MGLY+...\n & + 3.6510D-01 * RXRAT( 193 ) ! XYEP+NO=0.3651D+00*MGLY+...\n & + 5.4000D-01 * RXRAT( 208 ) ! KETP+NO=0.5400D+00*MGLY+...\n & + 3.0000D-01 * RXRAT( 211 ) ! MVKP+NO=0.3000D+00*MGLY+...\n & + 2.1000D-01 * RXRAT( 212 ) ! UALP+NO=0.2100D+00*MGLY+...\n & + 3.6590D-01 * RXRAT( 271 ) ! TOLP+MO2=0.3659D+00*MGLY+...\n & + 2.4750D-01 * RXRAT( 272 ) ! XYMP+MO2=0.2475D+00*MGLY+...\n & + 3.6590D-01 * RXRAT( 273 ) ! XYEP+MO2=0.3659D+00*MGLY+...\n & + 5.0000D-01 * RXRAT( 290 ) ! MVKP+MO2=0.5000D+00*MGLY+...\n & + 1.0500D-01 * RXRAT( 291 ) ! UALP+MO2=0.1050D+00*MGLY+...\n & + 3.6590D-01 * RXRAT( 308 ) ! TOLP+ACO3=0.3659D+00*MGLY+...\n & + 2.4750D-01 * RXRAT( 309 ) ! XYMP+ACO3=0.2475D+00*MGLY+...\n & + 3.6590D-01 * RXRAT( 310 ) ! XYEP+ACO3=0.3659D+00*MGLY+...\n & + 5.0000D-01 * RXRAT( 327 ) ! MVKP+ACO3=0.5000D+00*MGLY+...\n & + 1.0500D-01 * RXRAT( 328 ) ! UALP+ACO3=0.1050D+00*MGLY+...\n & + 3.6590D-01 * RXRAT( 347 ) ! TOLP+NO3=0.3659D+00*MGLY+...\n & + 2.4750D-01 * RXRAT( 348 ) ! XYMP+NO3=0.2475D+00*MGLY+...\n & + 3.6590D-01 * RXRAT( 349 ) ! XYEP+NO3=0.3659D+00*MGLY+...\n & + 3.0000D-01 * RXRAT( 360 ) ! MVKP+NO3=0.3000D+00*MGLY+...\n & + 2.1000D-01 * RXRAT( 361 ) ! UALP+NO3=0.2100D+00*MGLY+...\n & + 6.8000D-01 * RXRAT( 393 ) ! ACRO+NO3=0.6800D+00*MGLY+...\n & + 4.6930D-01 * RXRAT( 485 ) ! VROCP6AROP+NO=0.4693D+...\n & + 4.7020D-01 * RXRAT( 486 ) ! VROCP6AROP+NO3=0.4702D+...\n & + 4.7020D-01 * RXRAT( 487 ) ! VROCP6AROP+MO2=0.4702D+...\n & + 4.7020D-01 * RXRAT( 488 ) ! VROCP6AROP+ACO3=0.4702D+...\n & + 4.6930D-01 * RXRAT( 491 ) ! VROCP5AROP+NO=0.4693D+...\n & + 4.7020D-01 * RXRAT( 492 ) ! VROCP5AROP+NO3=0.4702D+...\n & + 4.7020D-01 * RXRAT( 493 ) ! VROCP5AROP+MO2=0.4702D+...\n & + 4.7020D-01 * RXRAT( 494 ) ! VROCP5AROP+ACO3=0.4702D+...\n & + 4.6930D-01 * RXRAT( 497 ) ! NAPHP+NO=0.4693D+00*MGLY+...\n & + 4.7020D-01 * RXRAT( 498 ) ! NAPHP+NO3=0.4702D+00*MGLY+...\n & + 4.7020D-01 * RXRAT( 499 ) ! NAPHP+MO2=0.4702D+00*MGLY+...\n & + 4.7020D-01 * RXRAT( 500 ) ! NAPHP+ACO3=0.4702D+00*MGLY+...\n LOSS( MGLY ) = RXRAT( 27 ) ! MGLY=HO2+ACO3+CO\n & + RXRAT( 119 ) ! MGLY+HO=ACO3+CO\n & + RXRAT( 170 ) ! MGLY+NO3=ACO3+CO+HNO3\n & + RXRAT( 420 ) ! MGLY=AGLYJ\n\n PROD( DCB1 ) = 7.0000D-01 * RXRAT( 155 ) ! DCB2+O3=0.7000D+00*DCB1+...\n & + 7.0000D-01 * RXRAT( 156 ) ! DCB3+O3=0.7000D+00*DCB1+...\n & + 5.4770D-01 * RXRAT( 191 ) ! TOLP+NO=0.5477D+00*DCB1+...\n & + 6.7000D-01 * RXRAT( 207 ) ! MEKP+NO=0.6700D+00*DCB1+...\n & + 5.4880D-01 * RXRAT( 271 ) ! TOLP+MO2=0.5488D+00*DCB1+...\n & + 3.3400D-01 * RXRAT( 286 ) ! MEKP+MO2=0.3340D+00*DCB1+...\n & + 5.0000D-01 * RXRAT( 287 ) ! KETP+MO2=0.5000D+00*DCB1+...\n & + 5.4880D-01 * RXRAT( 308 ) ! TOLP+ACO3=0.5488D+00*DCB1+...\n & + 3.3400D-01 * RXRAT( 323 ) ! MEKP+ACO3=0.3340D+00*DCB1+...\n & + 5.0000D-01 * RXRAT( 324 ) ! KETP+ACO3=0.5000D+00*DCB1+...\n & + 5.4880D-01 * RXRAT( 347 ) ! TOLP+NO3=0.5488D+00*DCB1+...\n & + 6.7000D-01 * RXRAT( 356 ) ! MEKP+NO3=0.6700D+00*DCB1+...\n & + RXRAT( 357 ) ! KETP+NO3=DCB1+NO2+HO2\n & + 4.9000D-01 * RXRAT( 403 ) ! FURAN+HO=0.4900D+00*DCB1+...\n & + 8.0000D-01 * RXRAT( 408 ) ! FURAN+NO3=0.8000D+00*DCB1+...\n & + 2.5810D-01 * RXRAT( 501 ) ! VROCN2OXY8+HO=0.2581D+...\n & + 7.9400D-02 * RXRAT( 502 ) ! VROCN2OXY4+HO=0.7940D-...\n & + 3.9000D-02 * RXRAT( 503 ) ! VROCN2OXY2+HO=0.3900D-...\n & + 1.8400D-01 * RXRAT( 504 ) ! VROCN1OXY6+HO=0.1840D+...\n & + 6.4600D-02 * RXRAT( 505 ) ! VROCN1OXY3+HO=0.6460D-...\n & + 2.4400D-02 * RXRAT( 506 ) ! VROCN1OXY1+HO=0.2440D-...\n & + 1.0680D-01 * RXRAT( 507 ) ! VROCP0OXY4+HO=0.1068D+...\n & + 4.4500D-02 * RXRAT( 508 ) ! VROCP0OXY2+HO=0.4450D-...\n & + 8.1800D-02 * RXRAT( 509 ) ! VROCP1OXY3+HO=0.8180D-...\n & + 2.9700D-02 * RXRAT( 510 ) ! VROCP1OXY1+HO=0.2970D-...\n & + 6.2800D-02 * RXRAT( 511 ) ! VROCP2OXY2+HO=0.6280D-...\n & + 6.9800D-02 * RXRAT( 512 ) ! VROCP3OXY2+HO=0.6980D-...\n & + 7.8600D-02 * RXRAT( 513 ) ! VROCP4OXY2+HO=0.7860D-...\n & + 5.2600D-02 * RXRAT( 514 ) ! VROCP5OXY1+HO=0.5260D-...\n & + 5.7100D-02 * RXRAT( 515 ) ! VROCP6OXY1+HO=0.5710D-...\n & + 2.2660D-01 * RXRAT( 516 ) ! OP3+HO=0.2266D+00*DCB1+...\n LOSS( DCB1 ) = RXRAT( 28 ) ! DCB1=0.1500D+01*HO2+...\n & + RXRAT( 120 ) ! DCB1+HO=0.5200D+00*HO2+...\n & + RXRAT( 154 ) ! DCB1+O3=0.5000D-01*HO+HO2+...\n\n PROD( DCB2 ) = 2.4950D-01 * RXRAT( 190 ) ! BENP+NO=0.2495D+00*DCB2+...\n & + 5.9840D-01 * RXRAT( 192 ) ! XYMP+NO=0.5984D+00*DCB2+...\n & + 4.5640D-01 * RXRAT( 193 ) ! XYEP+NO=0.4564D+00*DCB2+...\n & + 2.5000D-01 * RXRAT( 270 ) ! BENP+MO2=0.2500D+00*DCB2+...\n & + 5.9960D-01 * RXRAT( 272 ) ! XYMP+MO2=0.5996D+00*DCB2+...\n & + 4.5730D-01 * RXRAT( 273 ) ! XYEP+MO2=0.4573D+00*DCB2+...\n & + 2.5000D-01 * RXRAT( 307 ) ! BENP+ACO3=0.2500D+00*DCB2+...\n & + 5.9960D-01 * RXRAT( 309 ) ! XYMP+ACO3=0.5996D+00*DCB2+...\n & + 4.5730D-01 * RXRAT( 310 ) ! XYEP+ACO3=0.4573D+00*DCB2+...\n & + 2.5000D-01 * RXRAT( 346 ) ! BENP+NO3=0.2500D+00*DCB2+...\n & + 5.9960D-01 * RXRAT( 348 ) ! XYMP+NO3=0.5996D+00*DCB2+...\n & + 4.5730D-01 * RXRAT( 349 ) ! XYEP+NO3=0.4573D+00*DCB2+...\n & + 4.6930D-01 * RXRAT( 485 ) ! VROCP6AROP+NO=0.4693D+...\n & + 4.7020D-01 * RXRAT( 486 ) ! VROCP6AROP+NO3=0.4702D+...\n & + 4.7020D-01 * RXRAT( 487 ) ! VROCP6AROP+MO2=0.4702D+...\n & + 4.7020D-01 * RXRAT( 488 ) ! VROCP6AROP+ACO3=0.4702D+...\n & + 4.6930D-01 * RXRAT( 491 ) ! VROCP5AROP+NO=0.4693D+...\n & + 4.7020D-01 * RXRAT( 492 ) ! VROCP5AROP+NO3=0.4702D+...\n & + 4.7020D-01 * RXRAT( 493 ) ! VROCP5AROP+MO2=0.4702D+...\n & + 4.7020D-01 * RXRAT( 494 ) ! VROCP5AROP+ACO3=0.4702D+...\n & + 4.6930D-01 * RXRAT( 497 ) ! NAPHP+NO=0.4693D+00*DCB2+...\n & + 4.7020D-01 * RXRAT( 498 ) ! NAPHP+NO3=0.4702D+00*DCB2+...\n & + 4.7020D-01 * RXRAT( 499 ) ! NAPHP+MO2=0.4702D+00*DCB2+...\n & + 4.7020D-01 * RXRAT( 500 ) ! NAPHP+ACO3=0.4702D+00*DCB2+...\n LOSS( DCB2 ) = RXRAT( 29 ) ! DCB2=0.1500D+01*HO2+...\n & + RXRAT( 121 ) ! DCB2+HO=0.5200D+00*HO2+...\n & + RXRAT( 155 ) ! DCB2+O3=0.5000D-01*HO+HO2+...\n\n PROD( BALD ) = 2.0000D-02 * RXRAT( 145 ) ! OLT+O3=0.2000D-01*BALD+...\n & + 8.5200D-02 * RXRAT( 191 ) ! TOLP+NO=0.8520D-01*BALD+...\n & + 4.8100D-02 * RXRAT( 192 ) ! XYMP+NO=0.4810D-01*BALD+...\n & + 8.5200D-02 * RXRAT( 193 ) ! XYEP+NO=0.8520D-01*BALD+...\n & + 8.5400D-02 * RXRAT( 271 ) ! TOLP+MO2=0.8540D-01*BALD+...\n & + 4.8200D-02 * RXRAT( 272 ) ! XYMP+MO2=0.4820D-01*BALD+...\n & + 8.5400D-02 * RXRAT( 273 ) ! XYEP+MO2=0.8540D-01*BALD+...\n & + 8.5400D-02 * RXRAT( 308 ) ! TOLP+ACO3=0.8540D-01*BALD+...\n & + 4.8200D-02 * RXRAT( 309 ) ! XYMP+ACO3=0.4820D-01*BALD+...\n & + 8.5400D-02 * RXRAT( 310 ) ! XYEP+ACO3=0.8540D-01*BALD+...\n & + 8.5400D-02 * RXRAT( 347 ) ! TOLP+NO3=0.8540D-01*BALD+...\n & + 4.8200D-02 * RXRAT( 348 ) ! XYMP+NO3=0.4820D-01*BALD+...\n & + 8.5400D-02 * RXRAT( 349 ) ! XYEP+NO3=0.8540D-01*BALD+...\n & + 5.9400D-02 * RXRAT( 485 ) ! VROCP6AROP+NO=0.5940D-...\n & + 5.9500D-02 * RXRAT( 486 ) ! VROCP6AROP+NO3=0.5950D-...\n & + 5.9500D-02 * RXRAT( 487 ) ! VROCP6AROP+MO2=0.5950D-...\n & + 5.9500D-02 * RXRAT( 488 ) ! VROCP6AROP+ACO3=0.5950D-...\n LOSS( BALD ) = RXRAT( 30 ) ! BALD=CHO+HO2+CO\n & + RXRAT( 123 ) ! BALD+HO=BALP\n\n PROD( CHO ) = RXRAT( 30 ) ! BALD=CHO+HO2+CO\n & + 5.9000D-02 * RXRAT( 124 ) ! PHEN+HO=0.5900D-01*CHO+...\n & + 5.6000D-02 * RXRAT( 125 ) ! CSL+HO=0.5600D-01*CHO+...\n & + 3.3900D-01 * RXRAT( 171 ) ! PHEN+NO3=0.3390D+00*CHO+...\n & + 3.2000D-01 * RXRAT( 172 ) ! CSL+NO3=0.3200D+00*CHO+...\n LOSS( CHO ) = RXRAT( 223 ) ! CHO+NO2=ONIT\n & + RXRAT( 256 ) ! CHO+HO2=CSL\n\n PROD( OP1 ) = RXRAT( 225 ) ! MO2+HO2=OP1\n LOSS( OP1 ) = RXRAT( 31 ) ! OP1=HO+HO2+HCHO\n & + RXRAT( 131 ) ! OP1+HO=0.3500D+00*HO+...\n\n PROD( OP2 ) = 7.8000D-01 * RXRAT( 121 ) ! DCB2+HO=0.7800D+00*OP2+...\n & + 7.9000D-01 * RXRAT( 122 ) ! DCB3+HO=0.7900D+00*OP2+...\n & + 6.5000D-01 * RXRAT( 154 ) ! DCB1+O3=0.6500D+00*OP2+HO2+...\n & + 6.5000D-01 * RXRAT( 155 ) ! DCB2+O3=0.6500D+00*OP2+HO2+...\n & + 6.8000D-01 * RXRAT( 215 ) ! ADDC+NO=0.6800D+00*OP2+NO2+...\n & + RXRAT( 220 ) ! ADCN+NO=OP2+GLY+0.2000D+01*NO2\n & + RXRAT( 226 ) ! ETHP+HO2=OP2\n & + RXRAT( 227 ) ! HC3P+HO2=OP2\n & + RXRAT( 228 ) ! HC5P+HO2=OP2\n & + RXRAT( 229 ) ! ETEP+HO2=OP2\n & + RXRAT( 230 ) ! OLTP+HO2=OP2\n & + RXRAT( 231 ) ! OLIP+HO2=OP2\n & + 6.0210D-01 * RXRAT( 232 ) ! BENP+HO2=0.6021D+00*OP2+...\n & + 7.1950D-01 * RXRAT( 233 ) ! TOLP+HO2=0.7195D+00*OP2+...\n & + 4.8200D-02 * RXRAT( 234 ) ! XYMP+HO2=0.4820D-01*OP2+...\n & + 8.5400D-02 * RXRAT( 235 ) ! XYEP+HO2=0.8540D-01*OP2+...\n & + 8.5000D-01 * RXRAT( 248 ) ! ACTP+HO2=0.8500D+00*OP2+...\n & + RXRAT( 249 ) ! MEKP+HO2=OP2\n & + RXRAT( 250 ) ! KETP+HO2=OP2\n & + RXRAT( 253 ) ! MVKP+HO2=OP2\n & + RXRAT( 254 ) ! UALP+HO2=OP2\n & + RXRAT( 255 ) ! ADDC+HO2=OP2\n & + RXRAT( 257 ) ! MCTP+HO2=OP2\n & + RXRAT( 258 ) ! ORAP+HO2=OP2\n & + RXRAT( 261 ) ! ADCN+HO2=OP2\n & + RXRAT( 262 ) ! XO2+HO2=OP2\n & + 6.8000D-01 * RXRAT( 294 ) ! ADDC+MO2=0.6800D+00*OP2+...\n & + 7.0000D-01 * RXRAT( 299 ) ! ADCN+MO2=0.7000D+00*OP2+...\n & + 6.8000D-01 * RXRAT( 331 ) ! ADDC+ACO3=0.6800D+00*OP2+...\n & + 7.0000D-01 * RXRAT( 336 ) ! ADCN+ACO3=0.7000D+00*OP2+...\n & + 6.8000D-01 * RXRAT( 364 ) ! ADDC+NO3=0.6800D+00*OP2+...\n & + RXRAT( 369 ) ! ADCN+NO3=OP2+GLY+0.2000D+...\n & + RXRAT( 398 ) ! BDE13P+HO2=OP2\n & + 6.0000D-01 * RXRAT( 405 ) ! FURANO2+HO2=0.6000D+00*OP2+...\n & + RXRAT( 454 ) ! HC10P+HO2=OP2\n & + 4.0000D-03 * RXRAT( 502 ) ! VROCN2OXY4+HO=0.4000D-...\n & + 1.3500D-02 * RXRAT( 505 ) ! VROCN1OXY3+HO=0.1350D-...\n & + 6.2000D-03 * RXRAT( 506 ) ! VROCN1OXY1+HO=0.6200D-...\n & + 5.4000D-03 * RXRAT( 507 ) ! VROCP0OXY4+HO=0.5400D-...\n & + 1.7000D-02 * RXRAT( 509 ) ! VROCP1OXY3+HO=0.1700D-...\n & + 2.5000D-03 * RXRAT( 510 ) ! VROCP1OXY1+HO=0.2500D-...\n & + 2.3000D-03 * RXRAT( 511 ) ! VROCP2OXY2+HO=0.2300D-...\n & + 1.1400D-02 * RXRAT( 512 ) ! VROCP3OXY2+HO=0.1140D-...\n & + 1.5500D-02 * RXRAT( 513 ) ! VROCP4OXY2+HO=0.1550D-...\n & + 3.8400D-02 * RXRAT( 514 ) ! VROCP5OXY1+HO=0.3840D-...\n & + 5.8500D-02 * RXRAT( 515 ) ! VROCP6OXY1+HO=0.5850D-...\n LOSS( OP2 ) = RXRAT( 32 ) ! OP2=HO+HO2+ALD\n & + RXRAT( 132 ) ! OP2+HO=0.1000D-01*HO+...\n\n PROD( OPB ) = RXRAT( 236 ) ! APIP1+HO2=OPB\n & + RXRAT( 240 ) ! LIMP1+HO2=OPB\n & + RXRAT( 244 ) ! PINALP+HO2=OPB\n & + RXRAT( 245 ) ! LIMALP+HO2=OPB\n LOSS( OPB ) = RXRAT( 33 ) ! OPB=HO+HO2+ALD\n & + RXRAT( 133 ) ! OPB+HO=0.1000D-01*HO+...\n\n PROD( OP3 ) = 6.7470D-01 * RXRAT( 234 ) ! XYMP+HO2=0.6747D+00*OP3+...\n & + 6.3410D-01 * RXRAT( 235 ) ! XYEP+HO2=0.6341D+00*OP3+...\n & + 3.0800D-02 * RXRAT( 502 ) ! VROCN2OXY4+HO=0.3080D-...\n & + 2.6000D-03 * RXRAT( 503 ) ! VROCN2OXY2+HO=0.2600D-...\n & + 1.6300D-02 * RXRAT( 506 ) ! VROCN1OXY1+HO=0.1630D-...\n & + 1.0500D-02 * RXRAT( 508 ) ! VROCP0OXY2+HO=0.1050D-...\n & + 1.5400D-02 * RXRAT( 509 ) ! VROCP1OXY3+HO=0.1540D-...\n & + 6.6000D-03 * RXRAT( 510 ) ! VROCP1OXY1+HO=0.6600D-...\n & + 4.1000D-03 * RXRAT( 511 ) ! VROCP2OXY2+HO=0.4100D-...\n & + 5.0600D-02 * RXRAT( 512 ) ! VROCP3OXY2+HO=0.5060D-...\n & + 6.0700D-02 * RXRAT( 513 ) ! VROCP4OXY2+HO=0.6070D-...\n & + 2.1600D-02 * RXRAT( 514 ) ! VROCP5OXY1+HO=0.2160D-...\n & + 3.1600D-02 * RXRAT( 515 ) ! VROCP6OXY1+HO=0.3160D-...\n LOSS( OP3 ) = RXRAT( 34 ) ! OP3=HO+HO2+ALD\n & + RXRAT( 134 ) ! OP3+HO=0.1000D-01*HO+...\n & + RXRAT( 516 ) ! OP3+HO=HO+0.1188D+...\n\n PROD( PAA ) = 1.1000D-01 * RXRAT( 156 ) ! DCB3+O3=0.1100D+00*PAA+HO2+...\n & + 4.1000D-01 * RXRAT( 246 ) ! ACO3+HO2=0.4100D+00*PAA+...\n & + 4.1000D-01 * RXRAT( 247 ) ! RCO3+HO2=0.4100D+00*PAA+...\n LOSS( PAA ) = RXRAT( 35 ) ! PAA=HO+MO2\n & + RXRAT( 138 ) ! PAA+HO=0.3500D+00*HO+...\n\n PROD( ONIT ) = RXRAT( 168 ) ! UALD+NO3=ONIT+XO2+0.6680D+...\n & + 6.5000D-02 * RXRAT( 185 ) ! HC3P+NO=0.6500D-01*ONIT+...\n & + 1.3600D-01 * RXRAT( 186 ) ! HC5P+NO=0.1360D+00*ONIT+...\n & + 3.0000D-02 * RXRAT( 188 ) ! OLTP+NO=0.3000D-01*ONIT+...\n & + 5.0000D-02 * RXRAT( 189 ) ! OLIP+NO=0.5000D-01*ONIT+...\n & + 2.0000D-04 * RXRAT( 191 ) ! TOLP+NO=0.2000D-03*ONIT+...\n & + 1.0000D-04 * RXRAT( 192 ) ! XYMP+NO=0.1000D-03*ONIT+...\n & + 2.0000D-04 * RXRAT( 193 ) ! XYEP+NO=0.2000D-03*ONIT+...\n & + RXRAT( 218 ) ! OLNN+NO=ONIT+HO2+NO2\n & + RXRAT( 222 ) ! BAL2+NO2=ONIT\n & + RXRAT( 223 ) ! CHO+NO2=ONIT\n & + RXRAT( 224 ) ! MCTO+NO2=ONIT\n & + RXRAT( 259 ) ! OLNN+HO2=ONIT\n & + RXRAT( 260 ) ! OLND+HO2=ONIT\n & + RXRAT( 297 ) ! OLNN+MO2=ONIT+HCHO+0.2000D+...\n & + 5.0000D-01 * RXRAT( 298 ) ! OLND+MO2=0.5000D+00*ONIT+...\n & + 3.0000D-01 * RXRAT( 299 ) ! ADCN+MO2=0.3000D+00*ONIT+...\n & + RXRAT( 334 ) ! OLNN+ACO3=ONIT+MO2+HO2\n & + 3.0000D-01 * RXRAT( 336 ) ! ADCN+ACO3=0.3000D+00*ONIT+...\n & + RXRAT( 367 ) ! OLNN+NO3=ONIT+NO2+HO2\n & + 2.0000D+00 * RXRAT( 370 ) ! OLNN+OLNN=0.2000D+01*ONIT+HO2\n & + 1.5000D+00 * RXRAT( 371 ) ! OLNN+OLND=0.1500D+01*ONIT+...\n & + RXRAT( 372 ) ! OLND+OLND=ONIT+0.5040D+...\n & + 3.2000D-02 * RXRAT( 396 ) ! BDE13P+NO=0.3200D-01*ONIT+...\n & + 8.0000D-02 * RXRAT( 404 ) ! FURANO2+NO=0.8000D-01*ONIT+...\n & + 2.6000D-01 * RXRAT( 440 ) ! HC10P+NO=0.2600D+00*ONIT+...\n & + 1.2000D-01 * RXRAT( 468 ) ! HC10P2+NO=0.1200D+00*ONIT+...\n LOSS( ONIT ) = RXRAT( 36 ) ! ONIT=HO2+NO2+0.2000D+...\n & + RXRAT( 142 ) ! ONIT+HO=HC3P+NO2\n\n PROD( SO2 ) = 0.0D0\n LOSS( SO2 ) = RXRAT( 74 ) ! SO2+HO=HO2+SULF+SULRXN\n\n PROD( SULF ) = RXRAT( 74 ) ! SO2+HO=SULF+HO2+SULRXN\n LOSS( SULF ) = 0.0D0\n\n PROD( SULRXN ) = RXRAT( 74 ) ! SO2+HO=SULRXN+SULF+HO2\n LOSS( SULRXN ) = 0.0D0\n\n PROD( ETH ) = 2.0000D-02 * RXRAT( 145 ) ! OLT+O3=0.2000D-01*ETH+...\n & + 1.0000D-02 * RXRAT( 146 ) ! OLI+O3=0.1000D-01*ETH+...\n LOSS( ETH ) = RXRAT( 77 ) ! ETH+HO=ETHP\n\n PROD( HC3 ) = 1.5000D-02 * RXRAT( 145 ) ! OLT+O3=0.1500D-01*HC3+...\n & + 1.0000D-02 * RXRAT( 146 ) ! OLI+O3=0.1000D-01*HC3+...\n LOSS( HC3 ) = RXRAT( 78 ) ! HC3+HO=HC3P+0.2810D-04*ASOATJ\n\n PROD( HC3P ) = RXRAT( 78 ) ! HC3+HO=HC3P+0.2810D-04*ASOATJ\n & + 4.4000D-01 * RXRAT( 132 ) ! OP2+HO=0.4400D+00*HC3P+...\n & + RXRAT( 142 ) ! ONIT+HO=HC3P+NO2\n & + 4.0000D-02 * RXRAT( 145 ) ! OLT+O3=0.4000D-01*HC3P+...\n & + 4.0000D-02 * RXRAT( 146 ) ! OLI+O3=0.4000D-01*HC3P+...\n & + 2.5810D-01 * RXRAT( 501 ) ! VROCN2OXY8+HO=0.2581D+...\n & + 7.9400D-02 * RXRAT( 502 ) ! VROCN2OXY4+HO=0.7940D-...\n & + 3.9000D-02 * RXRAT( 503 ) ! VROCN2OXY2+HO=0.3900D-...\n & + 1.8400D-01 * RXRAT( 504 ) ! VROCN1OXY6+HO=0.1840D+...\n & + 6.4600D-02 * RXRAT( 505 ) ! VROCN1OXY3+HO=0.6460D-...\n & + 2.4400D-02 * RXRAT( 506 ) ! VROCN1OXY1+HO=0.2440D-...\n & + 1.0680D-01 * RXRAT( 507 ) ! VROCP0OXY4+HO=0.1068D+...\n & + 4.4500D-02 * RXRAT( 508 ) ! VROCP0OXY2+HO=0.4450D-...\n & + 8.1800D-02 * RXRAT( 509 ) ! VROCP1OXY3+HO=0.8180D-...\n & + 2.9700D-02 * RXRAT( 510 ) ! VROCP1OXY1+HO=0.2970D-...\n & + 6.2800D-02 * RXRAT( 511 ) ! VROCP2OXY2+HO=0.6280D-...\n & + 6.9800D-02 * RXRAT( 512 ) ! VROCP3OXY2+HO=0.6980D-...\n & + 7.8600D-02 * RXRAT( 513 ) ! VROCP4OXY2+HO=0.7860D-...\n & + 5.2600D-02 * RXRAT( 514 ) ! VROCP5OXY1+HO=0.5260D-...\n & + 5.7100D-02 * RXRAT( 515 ) ! VROCP6OXY1+HO=0.5710D-...\n & + 2.2660D-01 * RXRAT( 516 ) ! OP3+HO=0.2266D+00*HC3P+...\n LOSS( HC3P ) = RXRAT( 185 ) ! HC3P+NO=0.6600D+00*HO2+...\n & + RXRAT( 227 ) ! HC3P+HO2=OP2\n & + RXRAT( 265 ) ! HC3P+MO2=0.8940D+00*HO2+...\n & + RXRAT( 302 ) ! HC3P+ACO3=0.3940D+00*HO2+...\n & + RXRAT( 341 ) ! HC3P+NO3=0.2540D+00*HO2+...\n\n PROD( ASOATJ ) = 2.8100D-05 * RXRAT( 78 ) ! HC3+HO=0.2810D-04*ASOATJ+HC3P\n & + 1.3400D-03 * RXRAT( 79 ) ! HC5+HO=0.1340D-02*ASOATJ+HC5P\n & + 1.5200D-01 * RXRAT( 124 ) ! PHEN+HO=0.1520D+00*ASOATJ+...\n & + 2.0000D-01 * RXRAT( 125 ) ! CSL+HO=0.2000D+00*ASOATJ+...\n & + 1.5200D-01 * RXRAT( 171 ) ! PHEN+NO3=0.1520D+00*ASOATJ+...\n & + 2.0000D-01 * RXRAT( 172 ) ! CSL+NO3=0.2000D+00*ASOATJ+...\n & + 1.4900D-01 * RXRAT( 389 ) ! VROCIOXY+HO=0.1490D+...\n & + 1.0100D-03 * RXRAT( 390 ) ! SLOWROC+HO=0.1010D-...\n & + 4.0000D-02 * RXRAT( 406 ) ! FURANONE+HO=0.4000D-...\n LOSS( ASOATJ ) = 0.0D0\n\n PROD( HC5 ) = 6.0000D-03 * RXRAT( 145 ) ! OLT+O3=0.6000D-02*HC5+...\n LOSS( HC5 ) = RXRAT( 79 ) ! HC5+HO=HC5P+0.1340D-02*ASOATJ\n\n PROD( HC5P ) = RXRAT( 79 ) ! HC5+HO=HC5P+0.1340D-02*ASOATJ\n & + 2.0000D-02 * RXRAT( 145 ) ! OLT+O3=0.2000D-01*HC5P+...\n & + 7.9400D-02 * RXRAT( 502 ) ! VROCN2OXY4+HO=0.7940D-...\n & + 9.2500D-02 * RXRAT( 503 ) ! VROCN2OXY2+HO=0.9250D-...\n & + 1.8400D-01 * RXRAT( 504 ) ! VROCN1OXY6+HO=0.1840D+...\n & + 1.7530D-01 * RXRAT( 505 ) ! VROCN1OXY3+HO=0.1753D+...\n & + 5.3700D-02 * RXRAT( 506 ) ! VROCN1OXY1+HO=0.5370D-...\n & + 1.0680D-01 * RXRAT( 507 ) ! VROCP0OXY4+HO=0.1068D+...\n & + 1.0550D-01 * RXRAT( 508 ) ! VROCP0OXY2+HO=0.1055D+...\n & + 2.2200D-01 * RXRAT( 509 ) ! VROCP1OXY3+HO=0.2220D+...\n & + 6.5400D-02 * RXRAT( 510 ) ! VROCP1OXY1+HO=0.6540D-...\n & + 1.4890D-01 * RXRAT( 511 ) ! VROCP2OXY2+HO=0.1489D+...\n & + 1.6560D-01 * RXRAT( 512 ) ! VROCP3OXY2+HO=0.1656D+...\n & + 1.7300D-01 * RXRAT( 513 ) ! VROCP4OXY2+HO=0.1730D+...\n & + 1.2800D-01 * RXRAT( 514 ) ! VROCP5OXY1+HO=0.1280D+...\n & + 1.5440D-01 * RXRAT( 515 ) ! VROCP6OXY1+HO=0.1544D+...\n LOSS( HC5P ) = RXRAT( 186 ) ! HC5P+NO=0.2000D+00*HO2+...\n & + RXRAT( 228 ) ! HC5P+HO2=OP2\n & + RXRAT( 266 ) ! HC5P+MO2=0.8420D+00*HO2+...\n & + RXRAT( 303 ) ! HC5P+ACO3=0.3420D+00*HO2+...\n & + RXRAT( 342 ) ! HC5P+NO3=0.4880D+00*HO2+...\n\n PROD( ETE ) = 2.5000D-01 * RXRAT( 394 ) ! ACRO=0.2500D+00*ETE+...\n & + 1.7000D-01 * RXRAT( 401 ) ! BDE13+O3=0.1700D+00*ETE+...\n LOSS( ETE ) = RXRAT( 80 ) ! ETE+HO=ETEP\n & + RXRAT( 144 ) ! ETE+O3=0.8000D-01*HO+...\n & + RXRAT( 158 ) ! ETE+NO3=0.8000D+00*OLNN+...\n\n PROD( ETEP ) = RXRAT( 80 ) ! ETE+HO=ETEP\n LOSS( ETEP ) = RXRAT( 187 ) ! ETEP+NO=HO2+NO2+0.1600D+...\n & + RXRAT( 229 ) ! ETEP+HO2=OP2\n & + RXRAT( 267 ) ! ETEP+MO2=HO2+0.1950D+...\n & + RXRAT( 304 ) ! ETEP+ACO3=0.5000D+00*HO2+...\n & + RXRAT( 343 ) ! ETEP+NO3=HO2+NO2+0.1600D+...\n\n PROD( OLT ) = 1.5000D-01 * RXRAT( 88 ) ! ISO+O3=0.1500D+00*OLT+...\n & + 2.5000D-01 * RXRAT( 399 ) ! BDE13P+MO2=0.2500D+00*OLT+...\n LOSS( OLT ) = RXRAT( 81 ) ! OLT+HO=OLTP\n & + RXRAT( 145 ) ! OLT+O3=0.2200D+00*HO+...\n & + RXRAT( 159 ) ! OLT+NO3=0.4300D+00*OLNN+...\n\n PROD( OLTP ) = RXRAT( 81 ) ! OLT+HO=OLTP\n LOSS( OLTP ) = RXRAT( 188 ) ! OLTP+NO=0.7800D+00*HO2+...\n & + RXRAT( 230 ) ! OLTP+HO2=OP2\n & + RXRAT( 268 ) ! OLTP+MO2=HO2+0.1500D+...\n & + RXRAT( 305 ) ! OLTP+ACO3=0.5000D+00*HO2+...\n & + RXRAT( 344 ) ! OLTP+NO3=0.4700D+00*ALD+...\n\n PROD( OLI ) = 3.8500D-01 * RXRAT( 352 ) ! LIMP1+NO3=0.3850D+00*OLI+...\n LOSS( OLI ) = RXRAT( 82 ) ! OLI+HO=OLIP\n & + RXRAT( 146 ) ! OLI+O3=0.4600D+00*HO+...\n & + RXRAT( 160 ) ! OLI+NO3=0.1100D+00*OLNN+...\n\n PROD( OLIP ) = RXRAT( 82 ) ! OLI+HO=OLIP\n LOSS( OLIP ) = RXRAT( 189 ) ! OLIP+NO=0.8300D+00*HO2+...\n & + RXRAT( 231 ) ! OLIP+HO2=OP2\n & + RXRAT( 269 ) ! OLIP+MO2=HO2+0.7500D+...\n & + RXRAT( 306 ) ! OLIP+ACO3=0.5000D+00*HO2+...\n & + RXRAT( 345 ) ! OLIP+NO3=0.8600D+00*HO2+...\n\n PROD( ACE ) = 0.0D0\n LOSS( ACE ) = RXRAT( 83 ) ! ACE+HO=0.6500D+00*HO+...\n\n PROD( ORA1 ) = 3.5000D-01 * RXRAT( 83 ) ! ACE+HO=0.3500D+00*ORA1+...\n & + 2.8000D-01 * RXRAT( 88 ) ! ISO+O3=0.2800D+00*ORA1+...\n & + 3.7000D-01 * RXRAT( 144 ) ! ETE+O3=0.3700D+00*ORA1+...\n & + 3.0000D-02 * RXRAT( 145 ) ! OLT+O3=0.3000D-01*ORA1+...\n & + 4.5000D-01 * RXRAT( 151 ) ! MACR+O3=0.4500D+00*ORA1+...\n & + 7.0000D-02 * RXRAT( 152 ) ! MVK+O3=0.7000D-01*ORA1+...\n & + 4.4000D-02 * RXRAT( 153 ) ! UALD+O3=0.4400D-01*ORA1+...\n & + 2.5000D-01 * RXRAT( 156 ) ! DCB3+O3=0.2500D+00*ORA1+...\n LOSS( ORA1 ) = RXRAT( 136 ) ! ORA1+HO=HO2\n\n PROD( BEN ) = 3.2000D-02 * RXRAT( 145 ) ! OLT+O3=0.3200D-01*BEN+...\n LOSS( BEN ) = RXRAT( 84 ) ! BEN+HO=0.4700D+00*BENP+...\n\n PROD( BENP ) = 4.7000D-01 * RXRAT( 84 ) ! BEN+HO=0.4700D+00*BENP+...\n LOSS( BENP ) = RXRAT( 190 ) ! BENP+NO=0.0000D+00*ONIT+...\n & + RXRAT( 232 ) ! BENP+HO2=0.6021D+00*OP2+...\n & + RXRAT( 270 ) ! BENP+MO2=0.6800D+00*HCHO+...\n & + RXRAT( 307 ) ! BENP+ACO3=0.7000D+00*MO2+...\n & + RXRAT( 346 ) ! BENP+NO3=NO2+HO2+0.0000D+...\n\n PROD( PHEN ) = 5.3000D-01 * RXRAT( 84 ) ! BEN+HO=0.5300D+00*PHEN+...\n LOSS( PHEN ) = RXRAT( 124 ) ! PHEN+HO=0.1520D+00*ASOATJ+...\n & + RXRAT( 171 ) ! PHEN+NO3=0.1520D+00*ASOATJ+...\n\n PROD( TOL ) = 0.0D0\n LOSS( TOL ) = RXRAT( 85 ) ! TOL+HO=0.8200D+00*TOLP+...\n\n PROD( TOLP ) = 8.2000D-01 * RXRAT( 85 ) ! TOL+HO=0.8200D+00*TOLP+...\n LOSS( TOLP ) = RXRAT( 191 ) ! TOLP+NO=0.2000D-03*ONIT+...\n & + RXRAT( 233 ) ! TOLP+HO2=0.7195D+00*OP2+...\n & + RXRAT( 271 ) ! TOLP+MO2=0.6800D+00*HCHO+...\n & + RXRAT( 308 ) ! TOLP+ACO3=0.7000D+00*MO2+...\n & + RXRAT( 347 ) ! TOLP+NO3=NO2+0.9146D+...\n\n PROD( CSL ) = 1.8000D-01 * RXRAT( 85 ) ! TOL+HO=0.1800D+00*CSL+...\n & + 1.7000D-01 * RXRAT( 86 ) ! XYM+HO=0.1700D+00*CSL+...\n & + 1.8000D-01 * RXRAT( 87 ) ! XYE+HO=0.1800D+00*CSL+...\n & + RXRAT( 256 ) ! CHO+HO2=CSL\n LOSS( CSL ) = RXRAT( 125 ) ! CSL+HO=0.2000D+00*ASOATJ+...\n & + RXRAT( 172 ) ! CSL+NO3=0.2000D+00*ASOATJ+...\n\n PROD( XYM ) = 0.0D0\n LOSS( XYM ) = RXRAT( 86 ) ! XYM+HO=0.8300D+00*XYMP+...\n\n PROD( XYMP ) = 8.3000D-01 * RXRAT( 86 ) ! XYM+HO=0.8300D+00*XYMP+...\n LOSS( XYMP ) = RXRAT( 192 ) ! XYMP+NO=0.1000D-03*ONIT+...\n & + RXRAT( 234 ) ! XYMP+HO2=0.4820D-01*OP2+...\n & + RXRAT( 272 ) ! XYMP+MO2=0.6800D+00*HCHO+...\n & + RXRAT( 309 ) ! XYMP+ACO3=0.7000D+00*MO2+...\n & + RXRAT( 348 ) ! XYMP+NO3=NO2+0.9518D+...\n\n PROD( XYE ) = 0.0D0\n LOSS( XYE ) = RXRAT( 87 ) ! XYE+HO=0.8200D+00*XYEP+...\n\n PROD( XYEP ) = 8.2000D-01 * RXRAT( 87 ) ! XYE+HO=0.8200D+00*XYEP+...\n LOSS( XYEP ) = RXRAT( 193 ) ! XYEP+NO=0.2000D-03*ONIT+...\n & + RXRAT( 235 ) ! XYEP+HO2=0.8540D-01*OP2+...\n & + RXRAT( 273 ) ! XYEP+MO2=0.6800D+00*HCHO+...\n & + RXRAT( 310 ) ! XYEP+ACO3=0.7000D+00*MO2+...\n & + RXRAT( 349 ) ! XYEP+NO3=NO2+0.9146D+...\n\n PROD( ISO ) = 0.0D0\n LOSS( ISO ) = RXRAT( 88 ) ! ISO+O3=0.5310D+00*MACR+...\n & + RXRAT( 89 ) ! ISO+NO3=INO2+0.3000D+...\n & + RXRAT( 90 ) ! ISO+HO=ISOP+0.2000D-01*MO2\n\n PROD( INO2 ) = RXRAT( 89 ) ! ISO+NO3=INO2+0.3000D+...\n LOSS( INO2 ) = RXRAT( 94 ) ! INO2+HO2=IPN+HO\n & + RXRAT( 95 ) ! INO2+NO=0.9000D+00*HCHO+...\n\n PROD( NALD ) = 3.0000D-01 * RXRAT( 89 ) ! ISO+NO3=0.3000D+00*NALD+...\n & + 2.0000D-01 * RXRAT( 95 ) ! INO2+NO=0.2000D+00*NALD+...\n & + 2.0000D-01 * RXRAT( 96 ) ! IPN+HO2=0.2000D+00*NALD+...\n & + RXRAT( 97 ) ! ISON+HO=NALD+HO+0.2000D+...\n LOSS( NALD ) = RXRAT( 101 ) ! NALD+HO=CO+0.1200D+00*NO2\n & + RXRAT( 102 ) ! NALD+NO3=CO\n\n PROD( ISOP ) = RXRAT( 90 ) ! ISO+HO=ISOP+0.2000D-01*MO2\n & + RXRAT( 93 ) ! ISHP+HO=ISOP\n LOSS( ISOP ) = RXRAT( 91 ) ! ISOP+HO2=ISHP+0.6000D+...\n & + RXRAT( 92 ) ! ISOP+NO=0.1400D+00*ISON+...\n & + RXRAT( 274 ) ! ISOP+MO2=HO2+0.1310D+...\n & + RXRAT( 311 ) ! ISOP+ACO3=0.5000D+00*HO2+...\n & + RXRAT( 350 ) ! ISOP+NO3=HO2+NO2+0.7500D+...\n & + RXRAT( 378 ) ! ISOP+APIP2=0.9600D+00*HOM+...\n & + RXRAT( 381 ) ! ISOP+LIMP2=0.9600D+00*HOM+...\n & + RXRAT( 384 ) ! ISOP+APINP2=0.9600D+00*HOM+...\n & + RXRAT( 387 ) ! ISOP+LIMNP2=0.9600D+00*HOM+...\n\n PROD( ISHP ) = RXRAT( 91 ) ! ISOP+HO2=ISHP+0.6000D+...\n LOSS( ISHP ) = RXRAT( 93 ) ! ISHP+HO=ISOP\n & + RXRAT( 98 ) ! ISHP+HO=0.1500D+00*HCHO+...\n & + RXRAT( 99 ) ! ISHP=0.4000D+00*HCHO+...\n\n PROD( ISON ) = 1.4000D-01 * RXRAT( 92 ) ! ISOP+NO=0.1400D+00*ISON+...\n LOSS( ISON ) = RXRAT( 97 ) ! ISON+HO=NALD+HO+0.2000D+...\n & + RXRAT( 103 ) ! ISON=HNO3+ROH\n\n PROD( IPN ) = RXRAT( 94 ) ! INO2+HO2=IPN+HO\n LOSS( IPN ) = RXRAT( 96 ) ! IPN+HO2=0.8000D+00*NO2+HO2+...\n\n PROD( IEPOX ) = 2.0000D-01 * RXRAT( 97 ) ! ISON+HO=0.2000D+00*IEPOX+...\n & + 5.8000D-01 * RXRAT( 98 ) ! ISHP+HO=0.5800D+00*IEPOX+...\n LOSS( IEPOX ) = RXRAT( 388 ) ! IEPOX+HO=HO\n & + RXRAT( 424 ) ! IEPOX=IEPOXP\n\n PROD( IPC ) = 5.0000D-02 * RXRAT( 98 ) ! ISHP+HO=0.5000D-01*IPC+...\n LOSS( IPC ) = RXRAT( 100 ) ! IPC+NO=0.3500D+00*NO2+...\n\n PROD( ROH ) = RXRAT( 103 ) ! ISON=ROH+HNO3\n & + 2.5000D-01 * RXRAT( 265 ) ! HC3P+MO2=0.2500D+00*ROH+...\n & + 2.5000D-01 * RXRAT( 266 ) ! HC5P+MO2=0.2500D+00*ROH+...\n & + 2.5000D-01 * RXRAT( 268 ) ! OLTP+MO2=0.2500D+00*ROH+...\n & + 2.5000D-01 * RXRAT( 269 ) ! OLIP+MO2=0.2500D+00*ROH+...\n & + 2.5000D-01 * RXRAT( 274 ) ! ISOP+MO2=0.2500D+00*ROH+...\n & + 2.5000D-01 * RXRAT( 275 ) ! APIP1+MO2=0.2500D+00*ROH+...\n & + 2.7000D-01 * RXRAT( 279 ) ! LIMP1+MO2=0.2700D+00*ROH+...\n & + 2.5000D-01 * RXRAT( 285 ) ! ACTP+MO2=0.2500D+00*ROH+...\n & + 2.5000D-01 * RXRAT( 286 ) ! MEKP+MO2=0.2500D+00*ROH+...\n & + 2.5000D-01 * RXRAT( 287 ) ! KETP+MO2=0.2500D+00*ROH+...\n & + 2.5000D-01 * RXRAT( 288 ) ! MACP+MO2=0.2500D+00*ROH+...\n & + 2.5000D-01 * RXRAT( 289 ) ! MCP+MO2=0.2500D+00*ROH+HO2+...\n & + 2.5000D-01 * RXRAT( 290 ) ! MVKP+MO2=0.2500D+00*ROH+...\n & + 2.5000D-01 * RXRAT( 291 ) ! UALP+MO2=0.2500D+00*ROH+...\n & + 2.5000D-01 * RXRAT( 298 ) ! OLND+MO2=0.2500D+00*ROH+...\n & + 2.5000D-01 * RXRAT( 312 ) ! APIP1+ACO3=0.2500D+00*ROH+...\n & + 2.7000D-01 * RXRAT( 316 ) ! LIMP1+ACO3=0.2700D+00*ROH+...\n & + 4.8000D-01 * RXRAT( 376 ) ! APIP2+APIP1=0.4800D+00*ROH+...\n & + 4.8000D-01 * RXRAT( 377 ) ! APIP2+LIMP1=0.4800D+00*ROH+...\n & + 4.8000D-01 * RXRAT( 378 ) ! APIP2+ISOP=0.4800D+00*ROH+...\n & + 4.8000D-01 * RXRAT( 379 ) ! LIMP2+APIP1=0.4800D+00*ROH+...\n & + 4.8000D-01 * RXRAT( 380 ) ! LIMP2+LIMP1=0.4800D+00*ROH+...\n & + 4.8000D-01 * RXRAT( 381 ) ! LIMP2+ISOP=0.4800D+00*ROH+...\n & + 4.8000D-01 * RXRAT( 382 ) ! APINP2+APIP1=0.4800D+...\n & + 4.8000D-01 * RXRAT( 383 ) ! APINP2+LIMP1=0.4800D+...\n & + 4.8000D-01 * RXRAT( 384 ) ! APINP2+ISOP=0.4800D+00*ROH+...\n & + 4.8000D-01 * RXRAT( 385 ) ! LIMNP2+APIP1=0.4800D+...\n & + 4.8000D-01 * RXRAT( 386 ) ! LIMNP2+LIMP1=0.4800D+...\n & + 4.8000D-01 * RXRAT( 387 ) ! LIMNP2+ISOP=0.4800D+00*ROH+...\n LOSS( ROH ) = RXRAT( 129 ) ! ROH+HO=HO2+0.7190D+00*ALD+...\n\n PROD( API ) = 0.0D0\n LOSS( API ) = RXRAT( 104 ) ! API+HO=0.9750D+00*APIP1+...\n & + RXRAT( 147 ) ! API+O3=0.9000D+00*HO+...\n & + RXRAT( 161 ) ! API+NO3=0.9750D+00*APINP1+...\n\n PROD( APIP1 ) = 9.7500D-01 * RXRAT( 104 ) ! API+HO=0.9750D+00*APIP1+...\n & + 9.0000D-01 * RXRAT( 147 ) ! API+O3=0.9000D+00*APIP1+...\n LOSS( APIP1 ) = RXRAT( 194 ) ! APIP1+NO=0.8200D+00*HO2+...\n & + RXRAT( 236 ) ! APIP1+HO2=OPB\n & + RXRAT( 275 ) ! APIP1+MO2=HO2+0.6800D+...\n & + RXRAT( 312 ) ! APIP1+ACO3=0.6300D+00*HO2+...\n & + RXRAT( 351 ) ! APIP1+NO3=HO2+NO2+ALD+KET\n & + RXRAT( 376 ) ! APIP1+APIP2=0.9600D+00*HOM+...\n & + RXRAT( 379 ) ! APIP1+LIMP2=0.9600D+00*HOM+...\n & + RXRAT( 382 ) ! APIP1+APINP2=0.9600D+...\n & + RXRAT( 385 ) ! APIP1+LIMNP2=0.9600D+...\n\n PROD( APIP2 ) = 2.5000D-02 * RXRAT( 104 ) ! API+HO=0.2500D-01*APIP2+...\n & + 5.0000D-02 * RXRAT( 147 ) ! API+O3=0.5000D-01*APIP2+...\n LOSS( APIP2 ) = RXRAT( 195 ) ! APIP2+NO=0.8200D+00*HO+...\n & + RXRAT( 237 ) ! APIP2+HO2=HOM\n & + RXRAT( 276 ) ! APIP2+MO2=HO2+0.7500D+...\n & + RXRAT( 313 ) ! APIP2+ACO3=0.5000D+00*HO+...\n & + RXRAT( 376 ) ! APIP2+APIP1=0.9600D+00*HOM+...\n & + RXRAT( 377 ) ! APIP2+LIMP1=0.9600D+00*HOM+...\n & + RXRAT( 378 ) ! APIP2+ISOP=0.9600D+00*HOM+...\n\n PROD( LIM ) = 0.0D0\n LOSS( LIM ) = RXRAT( 105 ) ! LIM+HO=0.9450D+00*LIMP1+...\n & + RXRAT( 148 ) ! LIM+O3=0.8400D+00*HO+...\n & + RXRAT( 162 ) ! LIM+NO3=0.9450D+00*LIMNP1+...\n\n PROD( LIMP1 ) = 9.4500D-01 * RXRAT( 105 ) ! LIM+HO=0.9450D+00*LIMP1+...\n & + 8.4000D-01 * RXRAT( 148 ) ! LIM+O3=0.8400D+00*LIMP1+...\n LOSS( LIMP1 ) = RXRAT( 198 ) ! LIMP1+NO=0.7700D+00*HO2+...\n & + RXRAT( 240 ) ! LIMP1+HO2=OPB\n & + RXRAT( 279 ) ! LIMP1+MO2=HO2+HCHO+0.4200D+...\n & + RXRAT( 316 ) ! LIMP1+ACO3=0.6300D+00*HO2+...\n & + RXRAT( 352 ) ! LIMP1+NO3=HO2+NO2+0.3850D+...\n & + RXRAT( 377 ) ! LIMP1+APIP2=0.9600D+00*HOM+...\n & + RXRAT( 380 ) ! LIMP1+LIMP2=0.9600D+00*HOM+...\n & + RXRAT( 383 ) ! LIMP1+APINP2=0.9600D+...\n & + RXRAT( 386 ) ! LIMP1+LIMNP2=0.9600D+...\n\n PROD( LIMP2 ) = 5.5000D-02 * RXRAT( 105 ) ! LIM+HO=0.5500D-01*LIMP2+...\n & + 1.1000D-01 * RXRAT( 148 ) ! LIM+O3=0.1100D+00*LIMP2+...\n LOSS( LIMP2 ) = RXRAT( 199 ) ! LIMP2+NO=0.7700D+00*HO+...\n & + RXRAT( 241 ) ! LIMP2+HO2=HOM\n & + RXRAT( 280 ) ! LIMP2+MO2=HO2+0.7500D+...\n & + RXRAT( 317 ) ! LIMP2+ACO3=0.5000D+00*HO+...\n & + RXRAT( 379 ) ! LIMP2+APIP1=0.9600D+00*HOM+...\n & + RXRAT( 380 ) ! LIMP2+LIMP1=0.9600D+00*HOM+...\n & + RXRAT( 381 ) ! LIMP2+ISOP=0.9600D+00*HOM+...\n\n PROD( PINALP ) = 2.3000D-01 * RXRAT( 106 ) ! PINAL+HO=0.2300D+00*PINALP+...\n LOSS( PINALP ) = RXRAT( 175 ) ! PINALP=HOM\n & + RXRAT( 202 ) ! PINALP+NO=0.9500D+00*HO2+...\n & + RXRAT( 244 ) ! PINALP+HO2=OPB\n\n PROD( RCO3 ) = 7.7000D-01 * RXRAT( 106 ) ! PINAL+HO=0.7700D+00*RCO3+...\n & + 3.0000D-01 * RXRAT( 107 ) ! LIMAL+HO=0.3000D+00*RCO3+...\n & + RXRAT( 110 ) ! ALD+HO=RCO3\n & + 6.0000D-01 * RXRAT( 154 ) ! DCB1+O3=0.6000D+00*RCO3+...\n & + 6.0000D-01 * RXRAT( 155 ) ! DCB2+O3=0.6000D+00*RCO3+...\n & + RXRAT( 166 ) ! ALD+NO3=RCO3+HNO3\n & + RXRAT( 180 ) ! PPN=RCO3+NO2\n LOSS( RCO3 ) = RXRAT( 179 ) ! RCO3+NO2=PPN\n & + RXRAT( 205 ) ! RCO3+NO=ETHP+NO2\n & + RXRAT( 247 ) ! RCO3+HO2=0.4400D+00*HO+...\n & + RXRAT( 284 ) ! RCO3+MO2=0.9000D+00*HO2+...\n & + RXRAT( 321 ) ! RCO3+ACO3=MO2+ETHP\n & + 2.0000D+00 * RXRAT( 338 ) ! RCO3+RCO3=0.2000D+01*ETHP\n & + RXRAT( 354 ) ! RCO3+NO3=ETHP+NO2\n & + RXRAT( 374 ) ! RCO3+XO2=ETHP\n\n PROD( LIMALP ) = 7.0000D-01 * RXRAT( 107 ) ! LIMAL+HO=0.7000D+00*LIMALP+...\n LOSS( LIMALP ) = RXRAT( 176 ) ! LIMALP=HOM\n & + RXRAT( 203 ) ! LIMALP+NO=0.9400D+00*HO2+...\n & + RXRAT( 245 ) ! LIMALP+HO2=OPB\n\n PROD( ACTP ) = RXRAT( 111 ) ! ACT+HO=ACTP\n LOSS( ACTP ) = RXRAT( 206 ) ! ACTP+NO=ACO3+NO2+HCHO\n & + RXRAT( 248 ) ! ACTP+HO2=0.1500D+00*HO+...\n & + RXRAT( 285 ) ! ACTP+MO2=0.5000D+00*HO2+...\n & + RXRAT( 322 ) ! ACTP+ACO3=0.5000D+00*MO2+...\n & + RXRAT( 355 ) ! ACTP+NO3=ACO3+NO2+HCHO\n\n PROD( MEKP ) = RXRAT( 112 ) ! MEK+HO=MEKP\n & + 2.5810D-01 * RXRAT( 501 ) ! VROCN2OXY8+HO=0.2581D+...\n & + 7.9400D-02 * RXRAT( 502 ) ! VROCN2OXY4+HO=0.7940D-...\n & + 3.9000D-02 * RXRAT( 503 ) ! VROCN2OXY2+HO=0.3900D-...\n & + 1.8400D-01 * RXRAT( 504 ) ! VROCN1OXY6+HO=0.1840D+...\n & + 6.4600D-02 * RXRAT( 505 ) ! VROCN1OXY3+HO=0.6460D-...\n & + 2.4400D-02 * RXRAT( 506 ) ! VROCN1OXY1+HO=0.2440D-...\n & + 1.0680D-01 * RXRAT( 507 ) ! VROCP0OXY4+HO=0.1068D+...\n & + 4.4500D-02 * RXRAT( 508 ) ! VROCP0OXY2+HO=0.4450D-...\n & + 8.1800D-02 * RXRAT( 509 ) ! VROCP1OXY3+HO=0.8180D-...\n & + 2.9700D-02 * RXRAT( 510 ) ! VROCP1OXY1+HO=0.2970D-...\n & + 6.2800D-02 * RXRAT( 511 ) ! VROCP2OXY2+HO=0.6280D-...\n & + 6.9800D-02 * RXRAT( 512 ) ! VROCP3OXY2+HO=0.6980D-...\n & + 7.8600D-02 * RXRAT( 513 ) ! VROCP4OXY2+HO=0.7860D-...\n & + 5.2600D-02 * RXRAT( 514 ) ! VROCP5OXY1+HO=0.5260D-...\n & + 5.7100D-02 * RXRAT( 515 ) ! VROCP6OXY1+HO=0.5710D-...\n & + 2.2660D-01 * RXRAT( 516 ) ! OP3+HO=0.2266D+00*MEKP+...\n LOSS( MEKP ) = RXRAT( 207 ) ! MEKP+NO=0.6700D+00*HO2+NO2+...\n & + RXRAT( 249 ) ! MEKP+HO2=OP2\n & + RXRAT( 286 ) ! MEKP+MO2=0.8340D+00*HO2+...\n & + RXRAT( 323 ) ! MEKP+ACO3=0.3300D+00*HO2+...\n & + RXRAT( 356 ) ! MEKP+NO3=0.6700D+00*HO2+...\n\n PROD( KETP ) = RXRAT( 113 ) ! KET+HO=KETP\n & + 7.9400D-02 * RXRAT( 502 ) ! VROCN2OXY4+HO=0.7940D-...\n & + 1.0680D-01 * RXRAT( 507 ) ! VROCP0OXY4+HO=0.1068D+...\n LOSS( KETP ) = RXRAT( 208 ) ! KETP+NO=0.7700D+00*HO2+...\n & + RXRAT( 250 ) ! KETP+HO2=OP2\n & + RXRAT( 287 ) ! KETP+MO2=HO2+0.7500D+...\n & + RXRAT( 324 ) ! KETP+ACO3=0.5000D+00*HO2+...\n & + RXRAT( 357 ) ! KETP+NO3=HO2+NO2+DCB1\n\n PROD( MCP ) = 4.3000D-01 * RXRAT( 115 ) ! MACR+HO=0.4300D+00*MCP+...\n & + 4.3000D-01 * RXRAT( 391 ) ! ACRO+HO=0.4300D+00*MCP+...\n LOSS( MCP ) = RXRAT( 210 ) ! MCP+NO=NO2+0.5000D+00*HO2+...\n & + RXRAT( 252 ) ! MCP+HO2=MAHP\n & + RXRAT( 289 ) ! MCP+MO2=NO2+HO2+0.1500D+...\n & + RXRAT( 326 ) ! MCP+ACO3=NO2+0.5000D+...\n & + RXRAT( 359 ) ! MCP+NO3=NO2+HO2+HCHO+HKET\n\n PROD( MVKP ) = RXRAT( 116 ) ! MVK+HO=MVKP\n LOSS( MVKP ) = RXRAT( 211 ) ! MVKP+NO=0.3000D+00*HO2+...\n & + RXRAT( 253 ) ! MVKP+HO2=OP2\n & + RXRAT( 290 ) ! MVKP+MO2=HO2+0.1160D+...\n & + RXRAT( 327 ) ! MVKP+ACO3=0.5000D+00*HO2+...\n & + RXRAT( 360 ) ! MVKP+NO3=0.3000D+00*HO2+...\n\n PROD( UALP ) = 6.8700D-01 * RXRAT( 117 ) ! UALD+HO=0.6870D+00*UALP+...\n LOSS( UALP ) = RXRAT( 212 ) ! UALP+NO=HO2+NO2+0.6100D+...\n & + RXRAT( 254 ) ! UALP+HO2=OP2\n & + RXRAT( 291 ) ! UALP+MO2=HO2+0.3050D+00*CO+...\n & + RXRAT( 328 ) ! UALP+ACO3=0.5000D+00*HO2+...\n & + RXRAT( 361 ) ! UALP+NO3=HO2+NO2+0.6100D+...\n\n PROD( DCB3 ) = 2.4950D-01 * RXRAT( 190 ) ! BENP+NO=0.2495D+00*DCB3+...\n & + 2.5000D-01 * RXRAT( 270 ) ! BENP+MO2=0.2500D+00*DCB3+...\n & + 2.5000D-01 * RXRAT( 307 ) ! BENP+ACO3=0.2500D+00*DCB3+...\n & + 2.5000D-01 * RXRAT( 346 ) ! BENP+NO3=0.2500D+00*DCB3+...\n & + 2.0000D-01 * RXRAT( 408 ) ! FURAN+NO3=0.2000D+00*DCB3+...\n LOSS( DCB3 ) = RXRAT( 122 ) ! DCB3+HO=0.5600D+00*HO2+...\n & + RXRAT( 156 ) ! DCB3+O3=0.5000D-01*HO+HO2+...\n\n PROD( BALP ) = RXRAT( 123 ) ! BALD+HO=BALP\n LOSS( BALP ) = RXRAT( 213 ) ! BALP+NO=BAL1+NO2\n & + RXRAT( 292 ) ! BALP+MO2=HO2+BAL1+HCHO\n & + RXRAT( 329 ) ! BALP+ACO3=MO2+BAL1\n & + RXRAT( 362 ) ! BALP+NO3=BAL1+NO2\n\n PROD( ADDC ) = 1.7000D-01 * RXRAT( 124 ) ! PHEN+HO=0.1700D+00*ADDC+...\n & + 1.6000D-01 * RXRAT( 125 ) ! CSL+HO=0.1600D+00*ADDC+...\n & + 8.5000D-01 * RXRAT( 171 ) ! PHEN+NO3=0.8500D+00*ADDC+...\n & + 8.0000D-02 * RXRAT( 172 ) ! CSL+NO3=0.8000D-01*ADDC+...\n LOSS( ADDC ) = RXRAT( 215 ) ! ADDC+NO=HO2+NO2+0.3200D+...\n & + RXRAT( 255 ) ! ADDC+HO2=OP2\n & + RXRAT( 294 ) ! ADDC+MO2=0.2000D+01*HO2+...\n & + RXRAT( 331 ) ! ADDC+ACO3=0.2000D+01*HO2+...\n & + RXRAT( 364 ) ! ADDC+NO3=HO2+NO2+0.3200D+...\n\n PROD( MCT ) = 6.1900D-01 * RXRAT( 124 ) ! PHEN+HO=0.6190D+00*MCT+...\n & + 5.8400D-01 * RXRAT( 125 ) ! CSL+HO=0.5840D+00*MCT+...\n LOSS( MCT ) = RXRAT( 126 ) ! MCT+HO=MCTO\n & + RXRAT( 173 ) ! MCT+NO3=MCTO+HNO3\n\n PROD( MCTO ) = RXRAT( 126 ) ! MCT+HO=MCTO\n & + RXRAT( 173 ) ! MCT+NO3=MCTO+HNO3\n & + RXRAT( 216 ) ! MCTP+NO=MCTO+NO2\n & + RXRAT( 295 ) ! MCTP+MO2=MCTO+HO2+HCHO\n & + RXRAT( 332 ) ! MCTP+ACO3=MCTO+MO2+HO2\n & + RXRAT( 365 ) ! MCTP+NO3=MCTO+NO2\n LOSS( MCTO ) = RXRAT( 157 ) ! MCTO+O3=MCTP\n & + RXRAT( 224 ) ! MCTO+NO2=ONIT\n\n PROD( MOH ) = 6.3000D-01 * RXRAT( 263 ) ! MO2+MO2=0.6300D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 264 ) ! ETHP+MO2=0.2500D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 265 ) ! HC3P+MO2=0.2500D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 266 ) ! HC5P+MO2=0.2500D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 267 ) ! ETEP+MO2=0.2500D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 268 ) ! OLTP+MO2=0.2500D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 269 ) ! OLIP+MO2=0.2500D+00*MOH+...\n & + 3.2000D-01 * RXRAT( 270 ) ! BENP+MO2=0.3200D+00*MOH+...\n & + 3.2000D-01 * RXRAT( 271 ) ! TOLP+MO2=0.3200D+00*MOH+...\n & + 3.2000D-01 * RXRAT( 272 ) ! XYMP+MO2=0.3200D+00*MOH+...\n & + 3.2000D-01 * RXRAT( 273 ) ! XYEP+MO2=0.3200D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 274 ) ! ISOP+MO2=0.2500D+00*MOH+...\n & + 3.2000D-01 * RXRAT( 275 ) ! APIP1+MO2=0.3200D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 276 ) ! APIP2+MO2=0.2500D+00*MOH+...\n & + 3.2000D-01 * RXRAT( 277 ) ! APINP1+MO2=0.3200D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 278 ) ! APINP2+MO2=0.2500D+00*MOH+...\n & + 3.2000D-01 * RXRAT( 279 ) ! LIMP1+MO2=0.3200D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 280 ) ! LIMP2+MO2=0.2500D+00*MOH+...\n & + 3.2000D-01 * RXRAT( 281 ) ! LIMNP1+MO2=0.3200D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 282 ) ! LIMNP2+MO2=0.2500D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 285 ) ! ACTP+MO2=0.2500D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 286 ) ! MEKP+MO2=0.2500D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 287 ) ! KETP+MO2=0.2500D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 288 ) ! MACP+MO2=0.2500D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 289 ) ! MCP+MO2=0.2500D+00*MOH+HO2+...\n & + 2.5000D-01 * RXRAT( 290 ) ! MVKP+MO2=0.2500D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 291 ) ! UALP+MO2=0.2500D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 298 ) ! OLND+MO2=0.2500D+00*MOH+...\n & + 3.2000D-01 * RXRAT( 399 ) ! BDE13P+MO2=0.3200D+00*MOH+...\n & + 3.2000D-01 * RXRAT( 487 ) ! VROCP6AROP+MO2=0.3200D+...\n & + 3.2000D-01 * RXRAT( 493 ) ! VROCP5AROP+MO2=0.3200D+...\n & + 3.2000D-01 * RXRAT( 499 ) ! NAPHP+MO2=0.3200D+00*MOH+...\n LOSS( MOH ) = RXRAT( 127 ) ! MOH+HO=HO2+HCHO\n\n PROD( EOH ) = 2.5000D-01 * RXRAT( 264 ) ! ETHP+MO2=0.2500D+00*EOH+...\n LOSS( EOH ) = RXRAT( 128 ) ! EOH+HO=HO2+ACD\n\n PROD( ETEG ) = 2.5000D-01 * RXRAT( 267 ) ! ETEP+MO2=0.2500D+00*ETEG+...\n LOSS( ETEG ) = RXRAT( 130 ) ! ETEG+HO=HO2+ALD\n\n PROD( MAHP ) = RXRAT( 251 ) ! MACP+HO2=MAHP\n & + RXRAT( 252 ) ! MCP+HO2=MAHP\n LOSS( MAHP ) = RXRAT( 135 ) ! MAHP+HO=MACP\n\n PROD( ORA2 ) = 6.0000D-02 * RXRAT( 145 ) ! OLT+O3=0.6000D-01*ORA2+...\n & + 1.7000D-02 * RXRAT( 146 ) ! OLI+O3=0.1700D-01*ORA2+...\n & + 7.0000D-02 * RXRAT( 152 ) ! MVK+O3=0.7000D-01*ORA2+...\n & + 2.5000D-01 * RXRAT( 156 ) ! DCB3+O3=0.2500D+00*ORA2+...\n & + 1.5000D-01 * RXRAT( 246 ) ! ACO3+HO2=0.1500D+00*ORA2+...\n & + 1.5000D-01 * RXRAT( 247 ) ! RCO3+HO2=0.1500D+00*ORA2+...\n & + 1.0000D-01 * RXRAT( 283 ) ! ACO3+MO2=0.1000D+00*ORA2+...\n & + 1.0000D-01 * RXRAT( 284 ) ! RCO3+MO2=0.1000D+00*ORA2+...\n & + 1.2500D-01 * RXRAT( 285 ) ! ACTP+MO2=0.1250D+00*ORA2+...\n & + 6.7000D-02 * RXRAT( 288 ) ! MACP+MO2=0.6700D-01*ORA2+...\n & + 2.9200D-01 * RXRAT( 290 ) ! MVKP+MO2=0.2920D+00*ORA2+...\n & + 5.0000D-01 * RXRAT( 301 ) ! ETHP+ACO3=0.5000D+00*ORA2+...\n & + 5.0000D-01 * RXRAT( 302 ) ! HC3P+ACO3=0.5000D+00*ORA2+...\n & + 5.0000D-01 * RXRAT( 303 ) ! HC5P+ACO3=0.5000D+00*ORA2+...\n & + 5.0000D-01 * RXRAT( 304 ) ! ETEP+ACO3=0.5000D+00*ORA2+...\n & + 5.0000D-01 * RXRAT( 305 ) ! OLTP+ACO3=0.5000D+00*ORA2+...\n & + 5.0000D-01 * RXRAT( 306 ) ! OLIP+ACO3=0.5000D+00*ORA2+...\n & + 3.0000D-01 * RXRAT( 307 ) ! BENP+ACO3=0.3000D+00*ORA2+...\n & + 3.0000D-01 * RXRAT( 308 ) ! TOLP+ACO3=0.3000D+00*ORA2+...\n & + 3.0000D-01 * RXRAT( 309 ) ! XYMP+ACO3=0.3000D+00*ORA2+...\n & + 3.0000D-01 * RXRAT( 310 ) ! XYEP+ACO3=0.3000D+00*ORA2+...\n & + 5.0000D-01 * RXRAT( 311 ) ! ISOP+ACO3=0.5000D+00*ORA2+...\n & + 3.0000D-01 * RXRAT( 312 ) ! APIP1+ACO3=0.3000D+00*ORA2+...\n & + 5.0000D-01 * RXRAT( 313 ) ! APIP2+ACO3=0.5000D+00*ORA2+...\n & + 3.0000D-01 * RXRAT( 314 ) ! APINP1+ACO3=0.3000D+...\n & + 5.0000D-01 * RXRAT( 315 ) ! APINP2+ACO3=0.5000D+...\n & + 3.0000D-01 * RXRAT( 316 ) ! LIMP1+ACO3=0.3000D+00*ORA2+...\n & + 5.0000D-01 * RXRAT( 317 ) ! LIMP2+ACO3=0.5000D+00*ORA2+...\n & + 3.0000D-01 * RXRAT( 318 ) ! LIMNP1+ACO3=0.3000D+...\n & + 5.0000D-01 * RXRAT( 319 ) ! LIMNP2+ACO3=0.5000D+...\n & + 7.5000D-01 * RXRAT( 322 ) ! ACTP+ACO3=0.7500D+00*ORA2+...\n & + 5.0000D-01 * RXRAT( 323 ) ! MEKP+ACO3=0.5000D+00*ORA2+...\n & + 5.0000D-01 * RXRAT( 324 ) ! KETP+ACO3=0.5000D+00*ORA2+...\n & + 6.3500D-01 * RXRAT( 325 ) ! MACP+ACO3=0.6350D+00*ORA2+...\n & + 5.0000D-01 * RXRAT( 326 ) ! MCP+ACO3=0.5000D+00*ORA2+...\n & + 1.0830D+00 * RXRAT( 327 ) ! MVKP+ACO3=0.1083D+01*ORA2+...\n & + 5.0000D-01 * RXRAT( 328 ) ! UALP+ACO3=0.5000D+00*ORA2+...\n & + 5.0000D-01 * RXRAT( 335 ) ! OLND+ACO3=0.5000D+00*ORA2+...\n & + 3.0000D-01 * RXRAT( 400 ) ! BDE13P+ACO3=0.3000D+...\n & + 3.0000D-01 * RXRAT( 488 ) ! VROCP6AROP+ACO3=0.3000D+...\n & + 3.0000D-01 * RXRAT( 494 ) ! VROCP5AROP+ACO3=0.3000D+...\n & + 3.0000D-01 * RXRAT( 500 ) ! NAPHP+ACO3=0.3000D+00*ORA2+...\n LOSS( ORA2 ) = RXRAT( 137 ) ! ORA2+HO=0.6400D+00*MO2+...\n\n PROD( ORAP ) = 3.6000D-01 * RXRAT( 137 ) ! ORA2+HO=0.3600D+00*ORAP+...\n LOSS( ORAP ) = RXRAT( 217 ) ! ORAP+NO=NO2+GLY+HO2\n & + RXRAT( 258 ) ! ORAP+HO2=OP2\n & + RXRAT( 296 ) ! ORAP+MO2=HCHO+HO2+GLY\n & + RXRAT( 333 ) ! ORAP+ACO3=MO2+GLY\n & + RXRAT( 366 ) ! ORAP+NO3=NO2+GLY+HO2\n\n PROD( PPN ) = RXRAT( 179 ) ! RCO3+NO2=PPN\n LOSS( PPN ) = RXRAT( 140 ) ! PPN+HO=XO2+NO3+HCHO\n & + RXRAT( 180 ) ! PPN=RCO3+NO2\n\n PROD( MPAN ) = RXRAT( 181 ) ! MACP+NO2=MPAN\n LOSS( MPAN ) = RXRAT( 141 ) ! MPAN+HO=NO2+HKET\n & + RXRAT( 174 ) ! MPAN+NO3=MACP+NO2\n & + RXRAT( 182 ) ! MPAN=MACP+NO2\n\n PROD( TRPN ) = 1.8000D-01 * RXRAT( 194 ) ! APIP1+NO=0.1800D+00*TRPN+...\n & + 2.3000D-01 * RXRAT( 198 ) ! LIMP1+NO=0.2300D+00*TRPN+...\n & + 5.0000D-02 * RXRAT( 202 ) ! PINALP+NO=0.5000D-01*TRPN+...\n & + 6.0000D-02 * RXRAT( 203 ) ! LIMALP+NO=0.6000D-01*TRPN+...\n & + RXRAT( 238 ) ! APINP1+HO2=TRPN\n & + RXRAT( 242 ) ! LIMNP1+HO2=TRPN\n & + 1.4000D-01 * RXRAT( 277 ) ! APINP1+MO2=0.1400D+00*TRPN+...\n & + 3.0000D-01 * RXRAT( 281 ) ! LIMNP1+MO2=0.3000D+00*TRPN+...\n & + 1.4000D-01 * RXRAT( 314 ) ! APINP1+ACO3=0.1400D+...\n & + 3.0000D-01 * RXRAT( 318 ) ! LIMNP1+ACO3=0.3000D+...\n LOSS( TRPN ) = RXRAT( 143 ) ! TRPN+HO=HOM\n & + RXRAT( 150 ) ! TRPN+O3=HOM\n & + RXRAT( 163 ) ! TRPN+NO3=HOM\n\n PROD( HOM ) = RXRAT( 143 ) ! TRPN+HO=HOM\n & + RXRAT( 150 ) ! TRPN+O3=HOM\n & + RXRAT( 163 ) ! TRPN+NO3=HOM\n & + RXRAT( 175 ) ! PINALP=HOM\n & + RXRAT( 176 ) ! LIMALP=HOM\n & + RXRAT( 195 ) ! APIP2+NO=HOM+0.8200D+...\n & + RXRAT( 197 ) ! APINP2+NO=HOM+0.8200D+...\n & + RXRAT( 199 ) ! LIMP2+NO=HOM+0.7700D+...\n & + RXRAT( 201 ) ! LIMNP2+NO=HOM+0.7700D+...\n & + RXRAT( 237 ) ! APIP2+HO2=HOM\n & + RXRAT( 239 ) ! APINP2+HO2=HOM\n & + RXRAT( 241 ) ! LIMP2+HO2=HOM\n & + RXRAT( 243 ) ! LIMNP2+HO2=HOM\n & + RXRAT( 276 ) ! APIP2+MO2=HOM+0.7500D+...\n & + RXRAT( 278 ) ! APINP2+MO2=HOM+0.7500D+...\n & + RXRAT( 280 ) ! LIMP2+MO2=HOM+0.7500D+...\n & + RXRAT( 282 ) ! LIMNP2+MO2=HOM+0.7500D+...\n & + RXRAT( 313 ) ! APIP2+ACO3=HOM+0.5000D+...\n & + RXRAT( 315 ) ! APINP2+ACO3=HOM+0.5000D+...\n & + RXRAT( 317 ) ! LIMP2+ACO3=HOM+0.5000D+...\n & + RXRAT( 319 ) ! LIMNP2+ACO3=HOM+0.5000D+...\n & + 9.6000D-01 * RXRAT( 376 ) ! APIP2+APIP1=0.9600D+00*HOM+...\n & + 9.6000D-01 * RXRAT( 377 ) ! APIP2+LIMP1=0.9600D+00*HOM+...\n & + 9.6000D-01 * RXRAT( 378 ) ! APIP2+ISOP=0.9600D+00*HOM+...\n & + 9.6000D-01 * RXRAT( 379 ) ! LIMP2+APIP1=0.9600D+00*HOM+...\n & + 9.6000D-01 * RXRAT( 380 ) ! LIMP2+LIMP1=0.9600D+00*HOM+...\n & + 9.6000D-01 * RXRAT( 381 ) ! LIMP2+ISOP=0.9600D+00*HOM+...\n & + 9.6000D-01 * RXRAT( 382 ) ! APINP2+APIP1=0.9600D+...\n & + 9.6000D-01 * RXRAT( 383 ) ! APINP2+LIMP1=0.9600D+...\n & + 9.6000D-01 * RXRAT( 384 ) ! APINP2+ISOP=0.9600D+00*HOM+...\n & + 9.6000D-01 * RXRAT( 385 ) ! LIMNP2+APIP1=0.9600D+...\n & + 9.6000D-01 * RXRAT( 386 ) ! LIMNP2+LIMP1=0.9600D+...\n & + 9.6000D-01 * RXRAT( 387 ) ! LIMNP2+ISOP=0.9600D+00*HOM+...\n LOSS( HOM ) = 0.0D0\n\n PROD( MCTP ) = RXRAT( 157 ) ! MCTO+O3=MCTP\n LOSS( MCTP ) = RXRAT( 216 ) ! MCTP+NO=MCTO+NO2\n & + RXRAT( 257 ) ! MCTP+HO2=OP2\n & + RXRAT( 295 ) ! MCTP+MO2=HO2+MCTO+HCHO\n & + RXRAT( 332 ) ! MCTP+ACO3=HO2+MO2+MCTO\n & + RXRAT( 365 ) ! MCTP+NO3=NO2+MCTO\n\n PROD( OLNN ) = 8.0000D-01 * RXRAT( 158 ) ! ETE+NO3=0.8000D+00*OLNN+...\n & + 4.3000D-01 * RXRAT( 159 ) ! OLT+NO3=0.4300D+00*OLNN+...\n & + 1.1000D-01 * RXRAT( 160 ) ! OLI+NO3=0.1100D+00*OLNN+...\n & + 9.0000D-01 * RXRAT( 402 ) ! BDE13+NO3=0.9000D+00*OLNN+...\n LOSS( OLNN ) = RXRAT( 218 ) ! OLNN+NO=NO2+HO2+ONIT\n & + RXRAT( 259 ) ! OLNN+HO2=ONIT\n & + RXRAT( 297 ) ! OLNN+MO2=0.2000D+01*HO2+...\n & + RXRAT( 334 ) ! OLNN+ACO3=HO2+MO2+ONIT\n & + RXRAT( 367 ) ! OLNN+NO3=HO2+NO2+ONIT\n & + 2.0000D+00 * RXRAT( 370 ) ! OLNN+OLNN=HO2+0.2000D+01*ONIT\n & + RXRAT( 371 ) ! OLNN+OLND=0.5000D+00*HO2+...\n\n PROD( OLND ) = 2.0000D-01 * RXRAT( 158 ) ! ETE+NO3=0.2000D+00*OLND+...\n & + 5.7000D-01 * RXRAT( 159 ) ! OLT+NO3=0.5700D+00*OLND+...\n & + 8.9000D-01 * RXRAT( 160 ) ! OLI+NO3=0.8900D+00*OLND+...\n & + 1.0000D-01 * RXRAT( 402 ) ! BDE13+NO3=0.1000D+00*OLND+...\n LOSS( OLND ) = RXRAT( 219 ) ! OLND+NO=0.2000D+01*NO2+...\n & + RXRAT( 260 ) ! OLND+HO2=ONIT\n & + RXRAT( 298 ) ! OLND+MO2=0.5000D+00*HO2+...\n & + RXRAT( 335 ) ! OLND+ACO3=0.5000D+00*MO2+...\n & + RXRAT( 368 ) ! OLND+NO3=0.2000D+01*NO2+...\n & + RXRAT( 371 ) ! OLND+OLNN=0.5000D+00*HO2+...\n & + 2.0000D+00 * RXRAT( 372 ) ! OLND+OLND=NO2+0.5040D+...\n\n PROD( APINP1 ) = 9.7500D-01 * RXRAT( 161 ) ! API+NO3=0.9750D+00*APINP1+...\n LOSS( APINP1 ) = RXRAT( 196 ) ! APINP1+NO=0.2000D+01*NO2+PINAL\n & + RXRAT( 238 ) ! APINP1+HO2=TRPN\n & + RXRAT( 277 ) ! APINP1+MO2=0.3700D+00*HO2+...\n & + RXRAT( 314 ) ! APINP1+ACO3=0.8600D+00*NO2+...\n\n PROD( APINP2 ) = 2.5000D-02 * RXRAT( 161 ) ! API+NO3=0.2500D-01*APINP2+...\n LOSS( APINP2 ) = RXRAT( 197 ) ! APINP2+NO=0.8200D+00*NO2+...\n & + RXRAT( 239 ) ! APINP2+HO2=HOM\n & + RXRAT( 278 ) ! APINP2+MO2=0.7500D+00*HO2+...\n & + RXRAT( 315 ) ! APINP2+ACO3=0.5000D+00*NO2+...\n & + RXRAT( 382 ) ! APINP2+APIP1=0.9600D+...\n & + RXRAT( 383 ) ! APINP2+LIMP1=0.9600D+...\n & + RXRAT( 384 ) ! APINP2+ISOP=0.9600D+00*HOM+...\n\n PROD( LIMNP1 ) = 9.4500D-01 * RXRAT( 162 ) ! LIM+NO3=0.9450D+00*LIMNP1+...\n LOSS( LIMNP1 ) = RXRAT( 200 ) ! LIMNP1+NO=0.2000D+01*NO2+LIMAL\n & + RXRAT( 242 ) ! LIMNP1+HO2=TRPN\n & + RXRAT( 281 ) ! LIMNP1+MO2=0.3700D+00*HO2+...\n & + RXRAT( 318 ) ! LIMNP1+ACO3=0.7000D+00*NO2+...\n\n PROD( LIMNP2 ) = 5.5000D-02 * RXRAT( 162 ) ! LIM+NO3=0.5500D-01*LIMNP2+...\n LOSS( LIMNP2 ) = RXRAT( 201 ) ! LIMNP2+NO=0.7700D+00*NO2+...\n & + RXRAT( 243 ) ! LIMNP2+HO2=HOM\n & + RXRAT( 282 ) ! LIMNP2+MO2=0.7500D+00*HO2+...\n & + RXRAT( 319 ) ! LIMNP2+ACO3=0.5000D+00*MO2+...\n & + RXRAT( 385 ) ! LIMNP2+APIP1=0.9600D+...\n & + RXRAT( 386 ) ! LIMNP2+LIMP1=0.9600D+...\n & + RXRAT( 387 ) ! LIMNP2+ISOP=0.9600D+00*HOM+...\n\n PROD( ADCN ) = 4.2400D-01 * RXRAT( 171 ) ! PHEN+NO3=0.4240D+00*ADCN+...\n & + 4.0000D-01 * RXRAT( 172 ) ! CSL+NO3=0.4000D+00*ADCN+...\n LOSS( ADCN ) = RXRAT( 220 ) ! ADCN+NO=0.2000D+01*NO2+GLY+OP2\n & + RXRAT( 261 ) ! ADCN+HO2=OP2\n & + RXRAT( 299 ) ! ADCN+MO2=HO2+0.7000D+...\n & + RXRAT( 336 ) ! ADCN+ACO3=HO2+MO2+0.7000D+...\n & + RXRAT( 369 ) ! ADCN+NO3=0.2000D+01*NO2+...\n\n PROD( VROCP4OXY2 ) = 1.2000D-03 * RXRAT( 190 ) ! BENP+NO=0.1200D-...\n & + 1.3000D-03 * RXRAT( 191 ) ! TOLP+NO=0.1300D-...\n & + 2.8000D-01 * RXRAT( 434 ) ! VROCP6ALKP+NO=0.2800D+...\n & + RXRAT( 461 ) ! HC10P2=VROCP4OXY2+HO2\n & + 1.6000D-01 * RXRAT( 483 ) ! VROCP6ARO+HO=0.1600D+...\n & + 5.9500D-02 * RXRAT( 484 ) ! VROCP6AROP+HO2=0.5950D-...\n & + 1.0000D-04 * RXRAT( 485 ) ! VROCP6AROP+NO=0.1000D-...\n & + 5.9400D-02 * RXRAT( 491 ) ! VROCP5AROP+NO=0.5940D-...\n & + 5.9500D-02 * RXRAT( 492 ) ! VROCP5AROP+NO3=0.5950D-...\n & + 5.9500D-02 * RXRAT( 493 ) ! VROCP5AROP+MO2=0.5950D-...\n & + 5.9500D-02 * RXRAT( 494 ) ! VROCP5AROP+ACO3=0.5950D-...\n & + 5.9500D-02 * RXRAT( 497 ) ! NAPHP+NO=0.5950D-...\n & + 5.9500D-02 * RXRAT( 498 ) ! NAPHP+NO3=0.5950D-...\n & + 5.9500D-02 * RXRAT( 499 ) ! NAPHP+MO2=0.5950D-...\n & + 5.9500D-02 * RXRAT( 500 ) ! NAPHP+ACO3=0.5950D-...\n & + 1.8300D-02 * RXRAT( 502 ) ! VROCN2OXY4+HO=0.1830D-...\n & + 4.5500D-02 * RXRAT( 503 ) ! VROCN2OXY2+HO=0.4550D-...\n & + 5.1200D-02 * RXRAT( 505 ) ! VROCN1OXY3+HO=0.5120D-...\n & + 5.0900D-02 * RXRAT( 506 ) ! VROCN1OXY1+HO=0.5090D-...\n & + 2.4600D-02 * RXRAT( 507 ) ! VROCP0OXY4+HO=0.2460D-...\n & + 5.1900D-02 * RXRAT( 508 ) ! VROCP0OXY2+HO=0.5190D-...\n & + 6.4900D-02 * RXRAT( 509 ) ! VROCP1OXY3+HO=0.6490D-...\n & + 6.6800D-02 * RXRAT( 510 ) ! VROCP1OXY1+HO=0.6680D-...\n & + 7.3300D-02 * RXRAT( 511 ) ! VROCP2OXY2+HO=0.7330D-...\n & + 4.2600D-02 * RXRAT( 512 ) ! VROCP3OXY2+HO=0.4260D-...\n & + 7.2400D-02 * RXRAT( 514 ) ! VROCP5OXY1+HO=0.7240D-...\n & + 1.4630D-01 * RXRAT( 515 ) ! VROCP6OXY1+HO=0.1463D+...\n LOSS( VROCP4OXY2 ) = 9.9760D-01 * RXRAT( 513 ) ! VROCP4OXY2+HO=0.2400D-...\n\n PROD( VROCN1OXY6 ) = 8.0000D-04 * RXRAT( 190 ) ! BENP+NO=0.8000D-...\n & + 6.0000D-04 * RXRAT( 191 ) ! TOLP+NO=0.6000D-...\n & + 3.9790D-01 * RXRAT( 232 ) ! BENP+HO2=0.3979D+...\n & + 2.8050D-01 * RXRAT( 233 ) ! TOLP+HO2=0.2805D+...\n & + 1.2100D-02 * RXRAT( 502 ) ! VROCN2OXY4+HO=0.1210D-...\n & + 1.5300D-02 * RXRAT( 503 ) ! VROCN2OXY2+HO=0.1530D-...\n & + 3.1900D-02 * RXRAT( 505 ) ! VROCN1OXY3+HO=0.3190D-...\n & + 1.2200D-02 * RXRAT( 506 ) ! VROCN1OXY1+HO=0.1220D-...\n & + 3.2000D-02 * RXRAT( 507 ) ! VROCP0OXY4+HO=0.3200D-...\n & + 3.2500D-02 * RXRAT( 508 ) ! VROCP0OXY2+HO=0.3250D-...\n & + 7.4000D-02 * RXRAT( 509 ) ! VROCP1OXY3+HO=0.7400D-...\n & + 8.0000D-03 * RXRAT( 510 ) ! VROCP1OXY1+HO=0.8000D-...\n & + 5.1300D-02 * RXRAT( 511 ) ! VROCP2OXY2+HO=0.5130D-...\n & + 5.2600D-02 * RXRAT( 512 ) ! VROCP3OXY2+HO=0.5260D-...\n & + 4.8000D-02 * RXRAT( 513 ) ! VROCP4OXY2+HO=0.4800D-...\n & + 9.0000D-03 * RXRAT( 514 ) ! VROCP5OXY1+HO=0.9000D-...\n & + 6.1000D-03 * RXRAT( 515 ) ! VROCP6OXY1+HO=0.6100D-...\n & + 3.9000D-02 * RXRAT( 516 ) ! OP3+HO=0.3900D-...\n LOSS( VROCN1OXY6 ) = RXRAT( 504 ) ! VROCN1OXY6+HO=HO+0.2036D+...\n\n PROD( FURANONE ) = 4.9900D-01 * RXRAT( 190 ) ! BENP+NO=0.4990D+...\n & + 3.6510D-01 * RXRAT( 191 ) ! TOLP+NO=0.3651D+...\n & + 3.5150D-01 * RXRAT( 192 ) ! XYMP+NO=0.3515D+...\n & + 4.5640D-01 * RXRAT( 193 ) ! XYEP+NO=0.4564D+...\n & + 5.0000D-01 * RXRAT( 270 ) ! BENP+MO2=0.5000D+...\n & + 3.6590D-01 * RXRAT( 271 ) ! TOLP+MO2=0.3659D+...\n & + 3.5220D-01 * RXRAT( 272 ) ! XYMP+MO2=0.3522D+...\n & + 4.5730D-01 * RXRAT( 273 ) ! XYEP+MO2=0.4573D+...\n & + 5.0000D-01 * RXRAT( 307 ) ! BENP+ACO3=0.5000D+...\n & + 3.6590D-01 * RXRAT( 308 ) ! TOLP+ACO3=0.3659D+...\n & + 3.5220D-01 * RXRAT( 309 ) ! XYMP+ACO3=0.3522D+...\n & + 4.5730D-01 * RXRAT( 310 ) ! XYEP+ACO3=0.4573D+...\n & + 5.0000D-01 * RXRAT( 346 ) ! BENP+NO3=0.5000D+...\n & + 3.6590D-01 * RXRAT( 347 ) ! TOLP+NO3=0.3659D+...\n & + 3.5220D-01 * RXRAT( 348 ) ! XYMP+NO3=0.3522D+...\n & + 4.5730D-01 * RXRAT( 349 ) ! XYEP+NO3=0.4573D+...\n & + 9.2000D-01 * RXRAT( 404 ) ! FURANO2+NO=0.9200D+...\n & + 4.0000D-01 * RXRAT( 405 ) ! FURANO2+HO2=0.4000D+...\n & + 4.6930D-01 * RXRAT( 485 ) ! VROCP6AROP+NO=0.4693D+...\n & + 4.7020D-01 * RXRAT( 486 ) ! VROCP6AROP+NO3=0.4702D+...\n & + 4.7020D-01 * RXRAT( 487 ) ! VROCP6AROP+MO2=0.4702D+...\n & + 4.7020D-01 * RXRAT( 488 ) ! VROCP6AROP+ACO3=0.4702D+...\n & + 4.6930D-01 * RXRAT( 491 ) ! VROCP5AROP+NO=0.4693D+...\n & + 4.7020D-01 * RXRAT( 492 ) ! VROCP5AROP+NO3=0.4702D+...\n & + 4.7020D-01 * RXRAT( 493 ) ! VROCP5AROP+MO2=0.4702D+...\n & + 4.7020D-01 * RXRAT( 494 ) ! VROCP5AROP+ACO3=0.4702D+...\n & + 4.6930D-01 * RXRAT( 497 ) ! NAPHP+NO=0.4693D+...\n & + 4.7020D-01 * RXRAT( 498 ) ! NAPHP+NO3=0.4702D+...\n & + 4.7020D-01 * RXRAT( 499 ) ! NAPHP+MO2=0.4702D+...\n & + 4.7020D-01 * RXRAT( 500 ) ! NAPHP+ACO3=0.4702D+...\n LOSS( FURANONE ) = RXRAT( 406 ) ! FURANONE+HO=0.6500D+00*KET+...\n\n PROD( VROCP3OXY2 ) = 1.3000D-03 * RXRAT( 192 ) ! XYMP+NO=0.1300D-...\n & + 1.3000D-03 * RXRAT( 193 ) ! XYEP+NO=0.1300D-...\n & + RXRAT( 412 ) ! SESQNRO2+NO=VROCP3OXY2+...\n & + RXRAT( 413 ) ! SESQNRO2+NO3=VROCP3OXY2+...\n & + 9.8200D-01 * RXRAT( 414 ) ! SESQ+O3=0.9820D+...\n & + RXRAT( 417 ) ! SESQRO2+NO3=VROCP3OXY2\n & + 7.5300D-01 * RXRAT( 418 ) ! SESQRO2+NO=0.7530D+...\n & + 2.8000D-01 * RXRAT( 435 ) ! VROCP5ALKP+NO=0.2800D+...\n & + RXRAT( 448 ) ! VROCP6ALKP+HO2=VROCP3OXY2\n & + RXRAT( 455 ) ! VROCP6ALKP2=VROCP3OXY2+HO2\n & + 8.6000D-01 * RXRAT( 462 ) ! VROCP6ALKP2+NO=0.8600D+...\n & + RXRAT( 469 ) ! VROCP6ALKP2+NO3=VROCP3OXY2+...\n & + 1.6000D-01 * RXRAT( 489 ) ! VROCP5ARO+HO=0.1600D+...\n & + 5.9500D-02 * RXRAT( 490 ) ! VROCP5AROP+HO2=0.5950D-...\n & + 1.0000D-04 * RXRAT( 491 ) ! VROCP5AROP+NO=0.1000D-...\n & + 1.6000D-01 * RXRAT( 495 ) ! NAPH+HO=0.1600D+...\n & + 5.9500D-02 * RXRAT( 496 ) ! NAPHP+HO2=0.5950D-...\n & + 3.9800D-02 * RXRAT( 502 ) ! VROCN2OXY4+HO=0.3980D-...\n & + 4.5200D-02 * RXRAT( 503 ) ! VROCN2OXY2+HO=0.4520D-...\n & + 4.6200D-02 * RXRAT( 505 ) ! VROCN1OXY3+HO=0.4620D-...\n & + 5.1800D-02 * RXRAT( 506 ) ! VROCN1OXY1+HO=0.5180D-...\n & + 5.3500D-02 * RXRAT( 507 ) ! VROCP0OXY4+HO=0.5350D-...\n & + 5.1600D-02 * RXRAT( 508 ) ! VROCP0OXY2+HO=0.5160D-...\n & + 5.8500D-02 * RXRAT( 509 ) ! VROCP1OXY3+HO=0.5850D-...\n & + 7.0900D-02 * RXRAT( 510 ) ! VROCP1OXY1+HO=0.7090D-...\n & + 2.9300D-02 * RXRAT( 511 ) ! VROCP2OXY2+HO=0.2930D-...\n & + 4.5600D-02 * RXRAT( 513 ) ! VROCP4OXY2+HO=0.4560D-...\n & + 1.5660D-01 * RXRAT( 514 ) ! VROCP5OXY1+HO=0.1566D+...\n & + 1.3840D-01 * RXRAT( 515 ) ! VROCP6OXY1+HO=0.1384D+...\n LOSS( VROCP3OXY2 ) = 9.9140D-01 * RXRAT( 512 ) ! VROCP3OXY2+HO=0.8600D-...\n\n PROD( VROCP0OXY4 ) = 6.0000D-04 * RXRAT( 192 ) ! XYMP+NO=0.6000D-...\n & + 6.0000D-04 * RXRAT( 193 ) ! XYEP+NO=0.6000D-...\n & + 2.7710D-01 * RXRAT( 234 ) ! XYMP+HO2=0.2771D+...\n & + 2.8050D-01 * RXRAT( 235 ) ! XYEP+HO2=0.2805D+...\n & + RXRAT( 411 ) ! SESQNRO2+HO2=VROCP0OXY4\n & + 6.2400D-02 * RXRAT( 502 ) ! VROCN2OXY4+HO=0.6240D-...\n & + 1.8900D-02 * RXRAT( 503 ) ! VROCN2OXY2+HO=0.1890D-...\n & + 1.9400D-02 * RXRAT( 505 ) ! VROCN1OXY3+HO=0.1940D-...\n & + 2.9100D-02 * RXRAT( 506 ) ! VROCN1OXY1+HO=0.2910D-...\n & + 3.0700D-02 * RXRAT( 508 ) ! VROCP0OXY2+HO=0.3070D-...\n & + 6.3100D-02 * RXRAT( 509 ) ! VROCP1OXY3+HO=0.6310D-...\n & + 2.9200D-02 * RXRAT( 510 ) ! VROCP1OXY1+HO=0.2920D-...\n & + 1.3370D-01 * RXRAT( 511 ) ! VROCP2OXY2+HO=0.1337D+...\n & + 1.5500D-01 * RXRAT( 512 ) ! VROCP3OXY2+HO=0.1550D+...\n & + 8.8100D-02 * RXRAT( 513 ) ! VROCP4OXY2+HO=0.8810D-...\n & + 7.0200D-02 * RXRAT( 514 ) ! VROCP5OXY1+HO=0.7020D-...\n & + 2.2400D-02 * RXRAT( 515 ) ! VROCP6OXY1+HO=0.2240D-...\n & + 1.1400D-02 * RXRAT( 516 ) ! OP3+HO=0.1140D-...\n LOSS( VROCP0OXY4 ) = 9.9890D-01 * RXRAT( 507 ) ! VROCP0OXY4+HO=0.1100D-...\n\n PROD( BAL1 ) = RXRAT( 213 ) ! BALP+NO=BAL1+NO2\n & + RXRAT( 292 ) ! BALP+MO2=BAL1+HO2+HCHO\n & + RXRAT( 329 ) ! BALP+ACO3=BAL1+MO2\n & + RXRAT( 362 ) ! BALP+NO3=BAL1+NO2\n LOSS( BAL1 ) = RXRAT( 214 ) ! BAL1+NO=BAL2+NO2\n & + RXRAT( 293 ) ! BAL1+MO2=HO2+BAL2+HCHO\n & + RXRAT( 330 ) ! BAL1+ACO3=MO2+BAL2\n & + RXRAT( 363 ) ! BAL1+NO3=BAL2+NO2\n\n PROD( BAL2 ) = RXRAT( 214 ) ! BAL1+NO=BAL2+NO2\n & + RXRAT( 293 ) ! BAL1+MO2=BAL2+HO2+HCHO\n & + RXRAT( 330 ) ! BAL1+ACO3=BAL2+MO2\n & + RXRAT( 363 ) ! BAL1+NO3=BAL2+NO2\n LOSS( BAL2 ) = RXRAT( 222 ) ! BAL2+NO2=ONIT\n\n PROD( ELHOM ) = 4.0000D-02 * RXRAT( 376 ) ! APIP2+APIP1=0.4000D-...\n & + 4.0000D-02 * RXRAT( 377 ) ! APIP2+LIMP1=0.4000D-...\n & + 4.0000D-02 * RXRAT( 378 ) ! APIP2+ISOP=0.4000D-...\n & + 4.0000D-02 * RXRAT( 379 ) ! LIMP2+APIP1=0.4000D-...\n & + 4.0000D-02 * RXRAT( 380 ) ! LIMP2+LIMP1=0.4000D-...\n & + 4.0000D-02 * RXRAT( 381 ) ! LIMP2+ISOP=0.4000D-...\n & + 4.0000D-02 * RXRAT( 382 ) ! APINP2+APIP1=0.4000D-...\n & + 4.0000D-02 * RXRAT( 383 ) ! APINP2+LIMP1=0.4000D-...\n & + 4.0000D-02 * RXRAT( 384 ) ! APINP2+ISOP=0.4000D-...\n & + 4.0000D-02 * RXRAT( 385 ) ! LIMNP2+APIP1=0.4000D-...\n & + 4.0000D-02 * RXRAT( 386 ) ! LIMNP2+LIMP1=0.4000D-...\n & + 4.0000D-02 * RXRAT( 387 ) ! LIMNP2+ISOP=0.4000D-...\n LOSS( ELHOM ) = 0.0D0\n\n PROD( VROCIOXY ) = 0.0D0\n LOSS( VROCIOXY ) = RXRAT( 389 ) ! VROCIOXY+HO=0.8520D+...\n\n PROD( SLOWROC ) = 0.0D0\n LOSS( SLOWROC ) = RXRAT( 390 ) ! SLOWROC+HO=ETHP+0.1010D-...\n\n PROD( ACRO ) = 8.9500D-01 * RXRAT( 396 ) ! BDE13P+NO=0.8950D+00*ACRO+...\n & + 9.2500D-01 * RXRAT( 397 ) ! BDE13P+NO3=0.9250D+00*ACRO+...\n & + 4.6300D-01 * RXRAT( 399 ) ! BDE13P+MO2=0.4630D+00*ACRO+...\n & + 7.4000D-01 * RXRAT( 400 ) ! BDE13P+ACO3=0.7400D+...\n & + 6.2000D-01 * RXRAT( 401 ) ! BDE13+O3=0.6200D+00*ACRO+...\n & + 9.0000D-01 * RXRAT( 402 ) ! BDE13+NO3=0.9000D+00*ACRO+...\n LOSS( ACRO ) = RXRAT( 391 ) ! ACRO+HO=0.5700D+00*MACP+...\n & + RXRAT( 392 ) ! ACRO+O3=0.8400D+00*CO+...\n & + RXRAT( 393 ) ! ACRO+NO3=0.6800D+00*HCHO+...\n & + RXRAT( 394 ) ! ACRO=CO+0.4770D+00*HO2+...\n\n PROD( BDE13 ) = 0.0D0\n LOSS( BDE13 ) = RXRAT( 395 ) ! BDE13+HO=0.6670D+00*BDE13P+...\n & + RXRAT( 401 ) ! BDE13+O3=0.6200D+00*ACRO+...\n & + RXRAT( 402 ) ! BDE13+NO3=0.9000D+00*OLNN+...\n\n PROD( BDE13P ) = 6.6700D-01 * RXRAT( 395 ) ! BDE13+HO=0.6670D+00*BDE13P+...\n LOSS( BDE13P ) = RXRAT( 396 ) ! BDE13P+NO=0.9680D+00*HO2+...\n & + RXRAT( 397 ) ! BDE13P+NO3=HO2+NO2+0.9250D+...\n & + RXRAT( 398 ) ! BDE13P+HO2=OP2\n & + RXRAT( 399 ) ! BDE13P+MO2=0.3200D+00*MOH+...\n & + RXRAT( 400 ) ! BDE13P+ACO3=0.7000D+00*MO2+...\n\n PROD( FURAN ) = 7.2000D-02 * RXRAT( 396 ) ! BDE13P+NO=0.7200D-01*FURAN+...\n & + 7.5000D-02 * RXRAT( 397 ) ! BDE13P+NO3=0.7500D-...\n & + 3.7000D-02 * RXRAT( 399 ) ! BDE13P+MO2=0.3700D-...\n & + 6.0000D-02 * RXRAT( 400 ) ! BDE13P+ACO3=0.6000D-...\n LOSS( FURAN ) = RXRAT( 403 ) ! FURAN+HO=0.4900D+00*DCB1+...\n & + RXRAT( 407 ) ! FURAN+O3=0.2000D-01*HO+ALD\n & + RXRAT( 408 ) ! FURAN+NO3=NO2+0.8000D+...\n\n PROD( FURANO2 ) = 5.1000D-01 * RXRAT( 403 ) ! FURAN+HO=0.5100D+...\n LOSS( FURANO2 ) = RXRAT( 404 ) ! FURANO2+NO=0.8000D-01*ONIT+...\n & + RXRAT( 405 ) ! FURANO2+HO2=0.6000D+00*OP2+...\n\n PROD( PROG ) = 0.0D0\n LOSS( PROG ) = RXRAT( 409 ) ! PROG+HO=0.6130D+00*HKET+...\n\n PROD( SESQ ) = 0.0D0\n LOSS( SESQ ) = RXRAT( 410 ) ! SESQ+NO3=SESQNRO2\n & + RXRAT( 414 ) ! SESQ+O3=0.9820D+...\n & + RXRAT( 415 ) ! SESQ+HO=SESQRO2\n\n PROD( SESQNRO2 ) = RXRAT( 410 ) ! SESQ+NO3=SESQNRO2\n LOSS( SESQNRO2 ) = RXRAT( 411 ) ! SESQNRO2+HO2=VROCP0OXY4\n & + RXRAT( 412 ) ! SESQNRO2+NO=VROCP3OXY2+...\n & + RXRAT( 413 ) ! SESQNRO2+NO3=VROCP3OXY2+...\n\n PROD( VROCN2OXY2 ) = 1.8000D-02 * RXRAT( 414 ) ! SESQ+O3=0.1800D-...\n & + RXRAT( 453 ) ! VROCP1ALKP+HO2=VROCN2OXY2\n & + RXRAT( 460 ) ! VROCP1ALKP2=VROCN2OXY2+HO2\n & + 1.4000D-01 * RXRAT( 466 ) ! VROCP2ALKP2+NO=0.1400D+...\n & + RXRAT( 467 ) ! VROCP1ALKP2+NO=VROCN2OXY2+...\n & + RXRAT( 474 ) ! VROCP1ALKP2+NO3=VROCN2OXY2+...\n & + RXRAT( 479 ) ! VROCP3ALKP2+HO2=VROCN2OXY2\n & + RXRAT( 480 ) ! VROCP2ALKP2+HO2=VROCN2OXY2\n & + RXRAT( 481 ) ! VROCP1ALKP2+HO2=VROCN2OXY2\n & + 8.8000D-03 * RXRAT( 505 ) ! VROCN1OXY3+HO=0.8800D-...\n & + 7.2610D-01 * RXRAT( 506 ) ! VROCN1OXY1+HO=0.7261D+...\n & + 1.1560D-01 * RXRAT( 508 ) ! VROCP0OXY2+HO=0.1156D+...\n & + 4.0000D-04 * RXRAT( 509 ) ! VROCP1OXY3+HO=0.4000D-...\n & + 3.3490D-01 * RXRAT( 510 ) ! VROCP1OXY1+HO=0.3349D+...\n & + 1.0400D-02 * RXRAT( 511 ) ! VROCP2OXY2+HO=0.1040D-...\n & + 9.0000D-04 * RXRAT( 512 ) ! VROCP3OXY2+HO=0.9000D-...\n & + 6.0000D-04 * RXRAT( 514 ) ! VROCP5OXY1+HO=0.6000D-...\n LOSS( VROCN2OXY2 ) = 7.8590D-01 * RXRAT( 503 ) ! VROCN2OXY2+HO=0.2141D+...\n\n PROD( SESQRO2 ) = RXRAT( 415 ) ! SESQ+HO=SESQRO2\n LOSS( SESQRO2 ) = RXRAT( 416 ) ! SESQRO2+HO2=VROCP0OXY2\n & + RXRAT( 417 ) ! SESQRO2+NO3=VROCP3OXY2\n & + RXRAT( 418 ) ! SESQRO2+NO=0.2470D+...\n\n PROD( VROCP0OXY2 ) = RXRAT( 416 ) ! SESQRO2+HO2=VROCP0OXY2\n & + 2.8000D-01 * RXRAT( 438 ) ! VROCP2ALKP+NO=0.2800D+...\n & + RXRAT( 451 ) ! VROCP3ALKP+HO2=VROCP0OXY2\n & + RXRAT( 458 ) ! VROCP3ALKP2=VROCP0OXY2+HO2\n & + 1.4000D-01 * RXRAT( 464 ) ! VROCP4ALKP2+NO=0.1400D+...\n & + 8.6000D-01 * RXRAT( 465 ) ! VROCP3ALKP2+NO=0.8600D+...\n & + RXRAT( 472 ) ! VROCP3ALKP2+NO3=VROCP0OXY2+...\n & + RXRAT( 477 ) ! VROCP5ALKP2+HO2=VROCP0OXY2\n & + 9.0480D-01 * RXRAT( 490 ) ! VROCP5AROP+HO2=0.9048D+...\n & + 4.5600D-02 * RXRAT( 503 ) ! VROCN2OXY2+HO=0.4560D-...\n & + 1.0400D-02 * RXRAT( 505 ) ! VROCN1OXY3+HO=0.1040D-...\n & + 4.5400D-02 * RXRAT( 506 ) ! VROCN1OXY1+HO=0.4540D-...\n & + 7.0000D-04 * RXRAT( 509 ) ! VROCP1OXY3+HO=0.7000D-...\n & + 7.6600D-02 * RXRAT( 510 ) ! VROCP1OXY1+HO=0.7660D-...\n & + 4.0300D-02 * RXRAT( 511 ) ! VROCP2OXY2+HO=0.4030D-...\n & + 1.5500D-02 * RXRAT( 512 ) ! VROCP3OXY2+HO=0.1550D-...\n & + 1.5300D-02 * RXRAT( 514 ) ! VROCP5OXY1+HO=0.1530D-...\n LOSS( VROCP0OXY2 ) = 9.9760D-01 * RXRAT( 508 ) ! VROCP0OXY2+HO=0.2400D-...\n\n PROD( VROCP1OXY3 ) = 2.4700D-01 * RXRAT( 418 ) ! SESQRO2+NO=0.2470D+...\n & + 1.4000D-01 * RXRAT( 463 ) ! VROCP5ALKP2+NO=0.1400D+...\n & + RXRAT( 476 ) ! VROCP6ALKP2+HO2=VROCP1OXY3\n & + 9.0480D-01 * RXRAT( 484 ) ! VROCP6AROP+HO2=0.9048D+...\n & + 1.8000D-03 * RXRAT( 491 ) ! VROCP5AROP+NO=0.1800D-...\n & + 9.0480D-01 * RXRAT( 496 ) ! NAPHP+HO2=0.9048D+...\n & + 3.8800D-02 * RXRAT( 502 ) ! VROCN2OXY4+HO=0.3880D-...\n & + 3.1400D-02 * RXRAT( 503 ) ! VROCN2OXY2+HO=0.3140D-...\n & + 5.1000D-02 * RXRAT( 505 ) ! VROCN1OXY3+HO=0.5100D-...\n & + 2.3400D-02 * RXRAT( 506 ) ! VROCN1OXY1+HO=0.2340D-...\n & + 3.9500D-02 * RXRAT( 508 ) ! VROCP0OXY2+HO=0.3950D-...\n & + 2.7700D-02 * RXRAT( 510 ) ! VROCP1OXY1+HO=0.2770D-...\n & + 5.1100D-02 * RXRAT( 511 ) ! VROCP2OXY2+HO=0.5110D-...\n & + 1.0510D-01 * RXRAT( 512 ) ! VROCP3OXY2+HO=0.1051D+...\n & + 9.1600D-02 * RXRAT( 513 ) ! VROCP4OXY2+HO=0.9160D-...\n & + 1.0380D-01 * RXRAT( 514 ) ! VROCP5OXY1+HO=0.1038D+...\n & + 5.0300D-02 * RXRAT( 515 ) ! VROCP6OXY1+HO=0.5030D-...\n LOSS( VROCP1OXY3 ) = 9.9940D-01 * RXRAT( 509 ) ! VROCP1OXY3+HO=0.6000D-...\n\n PROD( AGLYJ ) = RXRAT( 419 ) ! GLY=AGLYJ\n & + RXRAT( 420 ) ! MGLY=AGLYJ\n LOSS( AGLYJ ) = 0.0D0\n\n PROD( IEPOXP ) = RXRAT( 424 ) ! IEPOX=IEPOXP\n LOSS( IEPOXP ) = RXRAT( 425 ) ! IEPOXP=AISO3NOSJ\n & + RXRAT( 426 ) ! IEPOXP+ASO4J=AISO3OSJ\n\n PROD( AISO3NOSJ ) = RXRAT( 425 ) ! IEPOXP=AISO3NOSJ\n LOSS( AISO3NOSJ ) = 0.0D0\n\n PROD( ASO4J ) = 0.0D0\n LOSS( ASO4J ) = RXRAT( 426 ) ! ASO4J+IEPOXP=AISO3OSJ\n\n PROD( AISO3OSJ ) = RXRAT( 426 ) ! IEPOXP+ASO4J=AISO3OSJ\n LOSS( AISO3OSJ ) = 0.0D0\n\n PROD( VROCP6ALK ) = 0.0D0\n LOSS( VROCP6ALK ) = RXRAT( 427 ) ! VROCP6ALK+HO=VROCP6ALKP\n\n PROD( VROCP6ALKP ) = RXRAT( 427 ) ! VROCP6ALK+HO=VROCP6ALKP\n LOSS( VROCP6ALKP ) = RXRAT( 434 ) ! VROCP6ALKP+NO=0.7200D+...\n & + RXRAT( 441 ) ! VROCP6ALKP+NO3=VROCP6ALKP2+NO2\n & + RXRAT( 448 ) ! VROCP6ALKP+HO2=VROCP3OXY2\n\n PROD( VROCP5ALK ) = 0.0D0\n LOSS( VROCP5ALK ) = RXRAT( 428 ) ! VROCP5ALK+HO=VROCP5ALKP\n\n PROD( VROCP5ALKP ) = RXRAT( 428 ) ! VROCP5ALK+HO=VROCP5ALKP\n LOSS( VROCP5ALKP ) = RXRAT( 435 ) ! VROCP5ALKP+NO=0.7200D+...\n & + RXRAT( 442 ) ! VROCP5ALKP+NO3=VROCP5ALKP2+NO2\n & + RXRAT( 449 ) ! VROCP5ALKP+HO2=VROCP2OXY2\n\n PROD( VROCP4ALK ) = 0.0D0\n LOSS( VROCP4ALK ) = RXRAT( 429 ) ! VROCP4ALK+HO=VROCP4ALKP\n\n PROD( VROCP4ALKP ) = RXRAT( 429 ) ! VROCP4ALK+HO=VROCP4ALKP\n LOSS( VROCP4ALKP ) = RXRAT( 436 ) ! VROCP4ALKP+NO=0.7200D+...\n & + RXRAT( 443 ) ! VROCP4ALKP+NO3=VROCP4ALKP2+NO2\n & + RXRAT( 450 ) ! VROCP4ALKP+HO2=VROCP1OXY1\n\n PROD( VROCP3ALK ) = 0.0D0\n LOSS( VROCP3ALK ) = RXRAT( 430 ) ! VROCP3ALK+HO=VROCP3ALKP\n\n PROD( VROCP3ALKP ) = RXRAT( 430 ) ! VROCP3ALK+HO=VROCP3ALKP\n LOSS( VROCP3ALKP ) = RXRAT( 437 ) ! VROCP3ALKP+NO=0.7200D+...\n & + RXRAT( 444 ) ! VROCP3ALKP+NO3=VROCP3ALKP2+NO2\n & + RXRAT( 451 ) ! VROCP3ALKP+HO2=VROCP0OXY2\n\n PROD( VROCP2ALK ) = 0.0D0\n LOSS( VROCP2ALK ) = RXRAT( 431 ) ! VROCP2ALK+HO=VROCP2ALKP\n\n PROD( VROCP2ALKP ) = RXRAT( 431 ) ! VROCP2ALK+HO=VROCP2ALKP\n LOSS( VROCP2ALKP ) = RXRAT( 438 ) ! VROCP2ALKP+NO=0.7200D+...\n & + RXRAT( 445 ) ! VROCP2ALKP+NO3=VROCP2ALKP2+NO2\n & + RXRAT( 452 ) ! VROCP2ALKP+HO2=VROCN1OXY1\n\n PROD( VROCP1ALK ) = 0.0D0\n LOSS( VROCP1ALK ) = RXRAT( 432 ) ! VROCP1ALK+HO=VROCP1ALKP\n\n PROD( VROCP1ALKP ) = RXRAT( 432 ) ! VROCP1ALK+HO=VROCP1ALKP\n LOSS( VROCP1ALKP ) = RXRAT( 439 ) ! VROCP1ALKP+NO=0.7200D+...\n & + RXRAT( 446 ) ! VROCP1ALKP+NO3=VROCP1ALKP2+NO2\n & + RXRAT( 453 ) ! VROCP1ALKP+HO2=VROCN2OXY2\n\n PROD( HC10 ) = 0.0D0\n LOSS( HC10 ) = RXRAT( 433 ) ! HC10+HO=HC10P\n\n PROD( VROCP6ALKP2 ) = 7.2000D-01 * RXRAT( 434 ) ! VROCP6ALKP+NO=0.7200D+...\n & + RXRAT( 441 ) ! VROCP6ALKP+NO3=VROCP6ALKP2+NO2\n LOSS( VROCP6ALKP2 ) = RXRAT( 455 ) ! VROCP6ALKP2=HO2+VROCP3OXY2\n & + RXRAT( 462 ) ! VROCP6ALKP2+NO=0.1400D+...\n & + RXRAT( 469 ) ! VROCP6ALKP2+NO3=NO2+...\n & + RXRAT( 476 ) ! VROCP6ALKP2+HO2=VROCP1OXY3\n\n PROD( VROCP5ALKP2 ) = 7.2000D-01 * RXRAT( 435 ) ! VROCP5ALKP+NO=0.7200D+...\n & + RXRAT( 442 ) ! VROCP5ALKP+NO3=VROCP5ALKP2+NO2\n LOSS( VROCP5ALKP2 ) = RXRAT( 456 ) ! VROCP5ALKP2=HO2+VROCP2OXY2\n & + RXRAT( 463 ) ! VROCP5ALKP2+NO=0.1400D+...\n & + RXRAT( 470 ) ! VROCP5ALKP2+NO3=NO2+...\n & + RXRAT( 477 ) ! VROCP5ALKP2+HO2=VROCP0OXY2\n\n PROD( VROCP4ALKP2 ) = 7.2000D-01 * RXRAT( 436 ) ! VROCP4ALKP+NO=0.7200D+...\n & + RXRAT( 443 ) ! VROCP4ALKP+NO3=VROCP4ALKP2+NO2\n LOSS( VROCP4ALKP2 ) = RXRAT( 457 ) ! VROCP4ALKP2=HO2+VROCP1OXY1\n & + RXRAT( 464 ) ! VROCP4ALKP2+NO=0.1400D+...\n & + RXRAT( 471 ) ! VROCP4ALKP2+NO3=NO2+...\n & + RXRAT( 478 ) ! VROCP4ALKP2+HO2=VROCN1OXY1\n\n PROD( VROCP2OXY2 ) = 2.8000D-01 * RXRAT( 436 ) ! VROCP4ALKP+NO=0.2800D+...\n & + RXRAT( 449 ) ! VROCP5ALKP+HO2=VROCP2OXY2\n & + RXRAT( 456 ) ! VROCP5ALKP2=VROCP2OXY2+HO2\n & + 1.4000D-01 * RXRAT( 462 ) ! VROCP6ALKP2+NO=0.1400D+...\n & + 8.6000D-01 * RXRAT( 463 ) ! VROCP5ALKP2+NO=0.8600D+...\n & + RXRAT( 470 ) ! VROCP5ALKP2+NO3=VROCP2OXY2+...\n & + RXRAT( 482 ) ! HC10P2+HO2=VROCP2OXY2\n & + 1.8000D-03 * RXRAT( 485 ) ! VROCP6AROP+NO=0.1800D-...\n & + 1.8000D-03 * RXRAT( 497 ) ! NAPHP+NO=0.1800D-...\n & + 4.9100D-02 * RXRAT( 502 ) ! VROCN2OXY4+HO=0.4910D-...\n & + 4.5900D-02 * RXRAT( 503 ) ! VROCN2OXY2+HO=0.4590D-...\n & + 5.1200D-02 * RXRAT( 505 ) ! VROCN1OXY3+HO=0.5120D-...\n & + 6.2400D-02 * RXRAT( 506 ) ! VROCN1OXY1+HO=0.6240D-...\n & + 6.6000D-02 * RXRAT( 507 ) ! VROCP0OXY4+HO=0.6600D-...\n & + 5.3900D-02 * RXRAT( 508 ) ! VROCP0OXY2+HO=0.5390D-...\n & + 2.2700D-02 * RXRAT( 509 ) ! VROCP1OXY3+HO=0.2270D-...\n & + 6.5100D-02 * RXRAT( 510 ) ! VROCP1OXY1+HO=0.6510D-...\n & + 5.3500D-02 * RXRAT( 512 ) ! VROCP3OXY2+HO=0.5350D-...\n & + 9.7200D-02 * RXRAT( 513 ) ! VROCP4OXY2+HO=0.9720D-...\n & + 1.6500D-01 * RXRAT( 514 ) ! VROCP5OXY1+HO=0.1650D+...\n & + 8.7900D-02 * RXRAT( 515 ) ! VROCP6OXY1+HO=0.8790D-...\n LOSS( VROCP2OXY2 ) = 9.7640D-01 * RXRAT( 511 ) ! VROCP2OXY2+HO=0.2360D-...\n\n PROD( VROCP3ALKP2 ) = 7.2000D-01 * RXRAT( 437 ) ! VROCP3ALKP+NO=0.7200D+...\n & + RXRAT( 444 ) ! VROCP3ALKP+NO3=VROCP3ALKP2+NO2\n LOSS( VROCP3ALKP2 ) = RXRAT( 458 ) ! VROCP3ALKP2=HO2+VROCP0OXY2\n & + RXRAT( 465 ) ! VROCP3ALKP2+NO=0.1400D+...\n & + RXRAT( 472 ) ! VROCP3ALKP2+NO3=NO2+...\n & + RXRAT( 479 ) ! VROCP3ALKP2+HO2=VROCN2OXY2\n\n PROD( VROCP1OXY1 ) = 2.8000D-01 * RXRAT( 437 ) ! VROCP3ALKP+NO=0.2800D+...\n & + RXRAT( 450 ) ! VROCP4ALKP+HO2=VROCP1OXY1\n & + RXRAT( 457 ) ! VROCP4ALKP2=VROCP1OXY1+HO2\n & + 8.6000D-01 * RXRAT( 464 ) ! VROCP4ALKP2+NO=0.8600D+...\n & + RXRAT( 471 ) ! VROCP4ALKP2+NO3=VROCP1OXY1+...\n & + 1.9900D-02 * RXRAT( 503 ) ! VROCN2OXY2+HO=0.1990D-...\n & + 7.5000D-03 * RXRAT( 505 ) ! VROCN1OXY3+HO=0.7500D-...\n & + 3.5200D-02 * RXRAT( 506 ) ! VROCN1OXY1+HO=0.3520D-...\n & + 2.1500D-02 * RXRAT( 508 ) ! VROCP0OXY2+HO=0.2150D-...\n & + 6.8000D-03 * RXRAT( 511 ) ! VROCP2OXY2+HO=0.6800D-...\n & + 1.3000D-03 * RXRAT( 512 ) ! VROCP3OXY2+HO=0.1300D-...\n & + 7.3000D-03 * RXRAT( 513 ) ! VROCP4OXY2+HO=0.7300D-...\n & + 3.1000D-03 * RXRAT( 514 ) ! VROCP5OXY1+HO=0.3100D-...\n & + 2.2000D-03 * RXRAT( 515 ) ! VROCP6OXY1+HO=0.2200D-...\n LOSS( VROCP1OXY1 ) = 9.8820D-01 * RXRAT( 510 ) ! VROCP1OXY1+HO=0.1180D-...\n\n PROD( VROCP2ALKP2 ) = 7.2000D-01 * RXRAT( 438 ) ! VROCP2ALKP+NO=0.7200D+...\n & + RXRAT( 445 ) ! VROCP2ALKP+NO3=VROCP2ALKP2+NO2\n LOSS( VROCP2ALKP2 ) = RXRAT( 459 ) ! VROCP2ALKP2=HO2+VROCN1OXY1\n & + RXRAT( 466 ) ! VROCP2ALKP2+NO=0.1400D+...\n & + RXRAT( 473 ) ! VROCP2ALKP2+NO3=NO2+...\n & + RXRAT( 480 ) ! VROCP2ALKP2+HO2=VROCN2OXY2\n\n PROD( VROCP1ALKP2 ) = 7.2000D-01 * RXRAT( 439 ) ! VROCP1ALKP+NO=0.7200D+...\n & + RXRAT( 446 ) ! VROCP1ALKP+NO3=VROCP1ALKP2+NO2\n LOSS( VROCP1ALKP2 ) = RXRAT( 460 ) ! VROCP1ALKP2=HO2+VROCN2OXY2\n & + RXRAT( 467 ) ! VROCP1ALKP2+NO=VROCN2OXY2+...\n & + RXRAT( 474 ) ! VROCP1ALKP2+NO3=NO2+...\n & + RXRAT( 481 ) ! VROCP1ALKP2+HO2=VROCN2OXY2\n\n PROD( VROCN1OXY1 ) = 2.8000D-01 * RXRAT( 439 ) ! VROCP1ALKP+NO=0.2800D+...\n & + RXRAT( 452 ) ! VROCP2ALKP+HO2=VROCN1OXY1\n & + RXRAT( 459 ) ! VROCP2ALKP2=VROCN1OXY1+HO2\n & + 1.4000D-01 * RXRAT( 465 ) ! VROCP3ALKP2+NO=0.1400D+...\n & + 8.6000D-01 * RXRAT( 466 ) ! VROCP2ALKP2+NO=0.8600D+...\n & + RXRAT( 473 ) ! VROCP2ALKP2+NO3=VROCN1OXY1+...\n & + RXRAT( 478 ) ! VROCP4ALKP2+HO2=VROCN1OXY1\n & + 9.6000D-03 * RXRAT( 503 ) ! VROCN2OXY2+HO=0.9600D-...\n & + 4.6000D-03 * RXRAT( 508 ) ! VROCP0OXY2+HO=0.4600D-...\n & + 7.5800D-02 * RXRAT( 510 ) ! VROCP1OXY1+HO=0.7580D-...\n & + 1.3000D-03 * RXRAT( 511 ) ! VROCP2OXY2+HO=0.1300D-...\n LOSS( VROCN1OXY1 ) = 9.9300D-01 * RXRAT( 506 ) ! VROCN1OXY1+HO=0.7000D-...\n\n PROD( HC10P2 ) = 7.4000D-01 * RXRAT( 440 ) ! HC10P+NO=0.7400D+00*HC10P2+...\n & + RXRAT( 447 ) ! HC10P+NO3=HC10P2+NO2\n LOSS( HC10P2 ) = RXRAT( 461 ) ! HC10P2=HO2+VROCP4OXY2\n & + RXRAT( 468 ) ! HC10P2+NO=0.1200D+00*ONIT+...\n & + RXRAT( 475 ) ! HC10P2+NO3=NO2+KET+HO2\n & + RXRAT( 482 ) ! HC10P2+HO2=VROCP2OXY2\n\n PROD( VROCP6ARO ) = 0.0D0\n LOSS( VROCP6ARO ) = RXRAT( 483 ) ! VROCP6ARO+HO=0.8400D+...\n\n PROD( VROCP6AROP ) = 8.4000D-01 * RXRAT( 483 ) ! VROCP6ARO+HO=0.8400D+...\n LOSS( VROCP6AROP ) = RXRAT( 484 ) ! VROCP6AROP+HO2=0.5950D-...\n & + RXRAT( 485 ) ! VROCP6AROP+NO=0.1000D-...\n & + RXRAT( 486 ) ! VROCP6AROP+NO3=NO2+0.9405D+...\n & + RXRAT( 487 ) ! VROCP6AROP+MO2=0.6800D+...\n & + RXRAT( 488 ) ! VROCP6AROP+ACO3=0.7000D+...\n\n PROD( VROCN2OXY4 ) = 3.5700D-02 * RXRAT( 484 ) ! VROCP6AROP+HO2=0.3570D-...\n & + 3.5700D-02 * RXRAT( 490 ) ! VROCP5AROP+HO2=0.3570D-...\n & + 1.0000D-04 * RXRAT( 491 ) ! VROCP5AROP+NO=0.1000D-...\n & + 5.6380D-01 * RXRAT( 503 ) ! VROCN2OXY2+HO=0.5638D+...\n & + 7.1000D-03 * RXRAT( 504 ) ! VROCN1OXY6+HO=0.7100D-...\n & + 4.0250D-01 * RXRAT( 505 ) ! VROCN1OXY3+HO=0.4025D+...\n & + 1.1900D-01 * RXRAT( 506 ) ! VROCN1OXY1+HO=0.1190D+...\n & + 1.1650D-01 * RXRAT( 507 ) ! VROCP0OXY4+HO=0.1165D+...\n & + 4.5790D-01 * RXRAT( 508 ) ! VROCP0OXY2+HO=0.4579D+...\n & + 1.9240D-01 * RXRAT( 509 ) ! VROCP1OXY3+HO=0.1924D+...\n & + 1.3400D-01 * RXRAT( 510 ) ! VROCP1OXY1+HO=0.1340D+...\n & + 1.7260D-01 * RXRAT( 511 ) ! VROCP2OXY2+HO=0.1726D+...\n & + 7.6500D-02 * RXRAT( 512 ) ! VROCP3OXY2+HO=0.7650D-...\n & + 1.6700D-02 * RXRAT( 513 ) ! VROCP4OXY2+HO=0.1670D-...\n & + 1.0300D-02 * RXRAT( 514 ) ! VROCP5OXY1+HO=0.1030D-...\n & + 8.0000D-04 * RXRAT( 516 ) ! OP3+HO=0.8000D-...\n LOSS( VROCN2OXY4 ) = 8.0230D-01 * RXRAT( 502 ) ! VROCN2OXY4+HO=0.1977D+...\n\n PROD( VROCN1OXY3 ) = 1.0000D-04 * RXRAT( 485 ) ! VROCP6AROP+NO=0.1000D-...\n & + 1.5200D-02 * RXRAT( 502 ) ! VROCN2OXY4+HO=0.1520D-...\n & + 2.9800D-02 * RXRAT( 503 ) ! VROCN2OXY2+HO=0.2980D-...\n & + 3.0500D-02 * RXRAT( 506 ) ! VROCN1OXY1+HO=0.3050D-...\n & + 1.8300D-02 * RXRAT( 507 ) ! VROCP0OXY4+HO=0.1830D-...\n & + 6.5700D-02 * RXRAT( 508 ) ! VROCP0OXY2+HO=0.6570D-...\n & + 4.5200D-02 * RXRAT( 509 ) ! VROCP1OXY3+HO=0.4520D-...\n & + 1.1930D-01 * RXRAT( 510 ) ! VROCP1OXY1+HO=0.1193D+...\n & + 1.1180D-01 * RXRAT( 511 ) ! VROCP2OXY2+HO=0.1118D+...\n & + 4.8900D-02 * RXRAT( 512 ) ! VROCP3OXY2+HO=0.4890D-...\n & + 2.4600D-02 * RXRAT( 513 ) ! VROCP4OXY2+HO=0.2460D-...\n & + 1.4600D-02 * RXRAT( 514 ) ! VROCP5OXY1+HO=0.1460D-...\n & + 4.9000D-03 * RXRAT( 515 ) ! VROCP6OXY1+HO=0.4900D-...\n LOSS( VROCN1OXY3 ) = 9.9240D-01 * RXRAT( 505 ) ! VROCN1OXY3+HO=0.7600D-...\n\n PROD( VROCP5ARO ) = 0.0D0\n LOSS( VROCP5ARO ) = RXRAT( 489 ) ! VROCP5ARO+HO=0.8400D+...\n\n PROD( VROCP5AROP ) = 8.4000D-01 * RXRAT( 489 ) ! VROCP5ARO+HO=0.8400D+...\n LOSS( VROCP5AROP ) = RXRAT( 490 ) ! VROCP5AROP+HO2=0.5950D-...\n & + RXRAT( 491 ) ! VROCP5AROP+NO=0.1000D-...\n & + RXRAT( 492 ) ! VROCP5AROP+NO3=NO2+0.9405D+...\n & + RXRAT( 493 ) ! VROCP5AROP+MO2=0.6800D+...\n & + RXRAT( 494 ) ! VROCP5AROP+ACO3=0.7000D+...\n\n PROD( NAPH ) = 0.0D0\n LOSS( NAPH ) = RXRAT( 495 ) ! NAPH+HO=0.8400D+00*NAPHP+...\n\n PROD( NAPHP ) = 8.4000D-01 * RXRAT( 495 ) ! NAPH+HO=0.8400D+00*NAPHP+...\n LOSS( NAPHP ) = RXRAT( 496 ) ! NAPHP+HO2=0.5950D-...\n & + RXRAT( 497 ) ! NAPHP+NO=0.5950D-...\n & + RXRAT( 498 ) ! NAPHP+NO3=NO2+0.9405D+...\n & + RXRAT( 499 ) ! NAPHP+MO2=0.6800D+00*HCHO+...\n & + RXRAT( 500 ) ! NAPHP+ACO3=0.7000D+00*MO2+...\n\n PROD( VROCN2OXY8 ) = 3.5700D-02 * RXRAT( 496 ) ! NAPHP+HO2=0.3570D-...\n & + 1.0000D-04 * RXRAT( 497 ) ! NAPHP+NO=0.1000D-...\n & + 4.6400D-01 * RXRAT( 502 ) ! VROCN2OXY4+HO=0.4640D+...\n & + 1.0410D-01 * RXRAT( 503 ) ! VROCN2OXY2+HO=0.1041D+...\n & + 2.0360D-01 * RXRAT( 504 ) ! VROCN1OXY6+HO=0.2036D+...\n & + 2.7920D-01 * RXRAT( 505 ) ! VROCN1OXY3+HO=0.2792D+...\n & + 7.4000D-03 * RXRAT( 506 ) ! VROCN1OXY1+HO=0.7400D-...\n & + 2.8220D-01 * RXRAT( 507 ) ! VROCP0OXY4+HO=0.2822D+...\n & + 6.5900D-02 * RXRAT( 508 ) ! VROCP0OXY2+HO=0.6590D-...\n & + 1.7780D-01 * RXRAT( 509 ) ! VROCP1OXY3+HO=0.1778D+...\n & + 2.3000D-03 * RXRAT( 510 ) ! VROCP1OXY1+HO=0.2300D-...\n & + 4.4500D-02 * RXRAT( 511 ) ! VROCP2OXY2+HO=0.4450D-...\n & + 3.1700D-02 * RXRAT( 512 ) ! VROCP3OXY2+HO=0.3170D-...\n & + 1.1700D-02 * RXRAT( 513 ) ! VROCP4OXY2+HO=0.1170D-...\n & + 1.1880D-01 * RXRAT( 516 ) ! OP3+HO=0.1188D+...\n LOSS( VROCN2OXY8 ) = 9.1460D-01 * RXRAT( 501 ) ! VROCN2OXY8+HO=0.8540D-...\n\n PROD( VROCP5OXY1 ) = 3.2500D-02 * RXRAT( 503 ) ! VROCN2OXY2+HO=0.3250D-...\n & + 1.3800D-02 * RXRAT( 505 ) ! VROCN1OXY3+HO=0.1380D-...\n & + 3.4700D-02 * RXRAT( 506 ) ! VROCN1OXY1+HO=0.3470D-...\n & + 3.7100D-02 * RXRAT( 508 ) ! VROCP0OXY2+HO=0.3710D-...\n & + 1.7400D-02 * RXRAT( 509 ) ! VROCP1OXY3+HO=0.1740D-...\n & + 4.2300D-02 * RXRAT( 510 ) ! VROCP1OXY1+HO=0.4230D-...\n & + 5.2300D-02 * RXRAT( 511 ) ! VROCP2OXY2+HO=0.5230D-...\n & + 5.8200D-02 * RXRAT( 512 ) ! VROCP3OXY2+HO=0.5820D-...\n & + 4.7900D-02 * RXRAT( 513 ) ! VROCP4OXY2+HO=0.4790D-...\n & + 4.3200D-02 * RXRAT( 515 ) ! VROCP6OXY1+HO=0.4320D-...\n LOSS( VROCP5OXY1 ) = 9.9380D-01 * RXRAT( 514 ) ! VROCP5OXY1+HO=0.6200D-...\n\n PROD( VROCP6OXY1 ) = 3.6900D-02 * RXRAT( 503 ) ! VROCN2OXY2+HO=0.3690D-...\n & + 7.4800D-02 * RXRAT( 506 ) ! VROCN1OXY1+HO=0.7480D-...\n & + 4.2100D-02 * RXRAT( 508 ) ! VROCP0OXY2+HO=0.4210D-...\n & + 9.1100D-02 * RXRAT( 510 ) ! VROCP1OXY1+HO=0.9110D-...\n & + 5.9500D-02 * RXRAT( 511 ) ! VROCP2OXY2+HO=0.5950D-...\n & + 6.6100D-02 * RXRAT( 512 ) ! VROCP3OXY2+HO=0.6610D-...\n & + 7.4500D-02 * RXRAT( 513 ) ! VROCP4OXY2+HO=0.7450D-...\n & + 1.3980D-01 * RXRAT( 514 ) ! VROCP5OXY1+HO=0.1398D+...\n LOSS( VROCP6OXY1 ) = 9.0430D-01 * RXRAT( 515 ) ! VROCP6OXY1+HO=0.9570D-...\n\n RETURN\n\n END\n" }, { "path": "CCTM/src/gas/ebi_cracmm1amore_aq/hrrates.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE HRRATES\n\nC***********************************************************************\nC\nC FUNCTION: To calculate rates of reactions\nC\nC PRECONDITIONS: For the CRACMM1AMORE_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 16, 2022\nC\nC***********************************************************************\n USE HRDATA\n\n IMPLICIT NONE\n\nC.....INCLUDES: NONE\n\n\nC.....ARGUMENTS: NONE\n\n\nC.....PARAMETERS: NONE\n\n\nC.....EXTERNAL FUNCTIONS: NONE\n\n\nC.....SAVED VARIABLES: NONE\n! CHARACTER( 16 ), SAVE :: PNAME = 'HRRATES' ! Program name\n\n\nC.....LOCAL VARIABLES: None\n\nC***********************************************************************\nC..NOTE: RXRAT commented out are not referenced by any routine\n RXRAT( 1 ) = RKI( 1 ) * YC( O3 )\n RXRAT( 2 ) = RKI( 2 ) * YC( O3 )\n RXRAT( 3 ) = RKI( 3 ) * YC( H2O2 )\n! RXRAT( 4 ) = RKI( 4 ) * YC( NO2 )\n RXRAT( 5 ) = RKI( 5 ) * YC( NO3 )\n RXRAT( 6 ) = RKI( 6 ) * YC( NO3 )\n RXRAT( 7 ) = RKI( 7 ) * YC( HONO )\n RXRAT( 8 ) = RKI( 8 ) * YC( HNO3 )\n RXRAT( 9 ) = RKI( 9 ) * YC( HNO4 )\n RXRAT( 10 ) = RKI( 10 ) * YC( HCHO )\n RXRAT( 11 ) = RKI( 11 ) * YC( HCHO )\n RXRAT( 12 ) = RKI( 12 ) * YC( ACD )\n RXRAT( 13 ) = RKI( 13 ) * YC( ALD )\n RXRAT( 14 ) = RKI( 14 ) * YC( ACT )\n RXRAT( 15 ) = RKI( 15 ) * YC( ACT )\n RXRAT( 16 ) = RKI( 16 ) * YC( UALD )\n RXRAT( 17 ) = RKI( 17 ) * YC( PINAL )\n RXRAT( 18 ) = RKI( 18 ) * YC( LIMAL )\n RXRAT( 19 ) = RKI( 19 ) * YC( MEK )\n RXRAT( 20 ) = RKI( 20 ) * YC( KET )\n RXRAT( 21 ) = RKI( 21 ) * YC( HKET )\n RXRAT( 22 ) = RKI( 22 ) * YC( MACR )\n RXRAT( 23 ) = RKI( 23 ) * YC( MVK )\n RXRAT( 24 ) = RKI( 24 ) * YC( GLY )\n RXRAT( 25 ) = RKI( 25 ) * YC( GLY )\n RXRAT( 26 ) = RKI( 26 ) * YC( GLY )\n RXRAT( 27 ) = RKI( 27 ) * YC( MGLY )\n RXRAT( 28 ) = RKI( 28 ) * YC( DCB1 )\n RXRAT( 29 ) = RKI( 29 ) * YC( DCB2 )\n RXRAT( 30 ) = RKI( 30 ) * YC( BALD )\n RXRAT( 31 ) = RKI( 31 ) * YC( OP1 )\n RXRAT( 32 ) = RKI( 32 ) * YC( OP2 )\n RXRAT( 33 ) = RKI( 33 ) * YC( OPB )\n RXRAT( 34 ) = RKI( 34 ) * YC( OP3 )\n RXRAT( 35 ) = RKI( 35 ) * YC( PAA )\n RXRAT( 36 ) = RKI( 36 ) * YC( ONIT )\n RXRAT( 37 ) = RKI( 37 ) * YC( PAN )\n RXRAT( 38 ) = RKI( 38 ) * YC( PAN )\n! RXRAT( 39 ) = RKI( 39 ) * YC( O3 ) * YC( HO )\n! RXRAT( 40 ) = RKI( 40 ) * YC( O3 ) * YC( HO2 )\n! RXRAT( 41 ) = RKI( 41 ) * YC( O3 ) * YC( NO )\n RXRAT( 42 ) = RKI( 42 ) * YC( O3 ) * YC( NO2 )\n! RXRAT( 43 ) = RKI( 43 ) * YC( O3P )\n! RXRAT( 44 ) = RKI( 44 ) * YC( O3P ) * YC( O3 )\n! RXRAT( 45 ) = RKI( 45 ) * YC( O1D )\n! RXRAT( 46 ) = RKI( 46 ) * YC( O1D )\n! RXRAT( 47 ) = RKI( 47 ) * YC( O1D )\n! RXRAT( 48 ) = RKI( 48 ) * YC( HO )\n! RXRAT( 49 ) = RKI( 49 ) * YC( HO ) * YC( HO2 )\n RXRAT( 50 ) = RKI( 50 ) * YC( HO2 ) * YC( HO2 )\n RXRAT( 51 ) = RKI( 51 ) * YC( HO2 ) * YC( HO2 )\n RXRAT( 52 ) = RKI( 52 ) * YC( H2O2 ) * YC( HO )\n! RXRAT( 53 ) = RKI( 53 ) * YC( NO ) * YC( O3P )\n! RXRAT( 54 ) = RKI( 54 ) * YC( NO ) * YC( HO )\n! RXRAT( 55 ) = RKI( 55 ) * YC( NO ) * YC( HO2 )\n RXRAT( 56 ) = RKI( 56 ) * YC( NO ) * YC( HO2 )\n! RXRAT( 57 ) = RKI( 57 ) * YC( NO ) * YC( NO )\n RXRAT( 58 ) = RKI( 58 ) * YC( HONO ) * YC( HO )\n! RXRAT( 59 ) = RKI( 59 ) * YC( NO2 ) * YC( O3P )\n RXRAT( 60 ) = RKI( 60 ) * YC( NO2 ) * YC( O3P )\n RXRAT( 61 ) = RKI( 61 ) * YC( NO2 ) * YC( HO )\n RXRAT( 62 ) = RKI( 62 ) * YC( HNO3 ) * YC( HO )\n RXRAT( 63 ) = RKI( 63 ) * YC( NO3 ) * YC( HO )\n RXRAT( 64 ) = RKI( 64 ) * YC( NO3 ) * YC( HO2 )\n RXRAT( 65 ) = RKI( 65 ) * YC( NO3 ) * YC( NO )\n RXRAT( 66 ) = RKI( 66 ) * YC( NO3 ) * YC( NO2 )\n RXRAT( 67 ) = RKI( 67 ) * YC( NO3 ) * YC( NO3 )\n! RXRAT( 68 ) = RKI( 68 ) * YC( NO3 ) * YC( NO2 )\n RXRAT( 69 ) = RKI( 69 ) * YC( N2O5 )\n RXRAT( 70 ) = RKI( 70 ) * YC( N2O5 )\n! RXRAT( 71 ) = RKI( 71 ) * YC( NO2 ) * YC( HO2 )\n RXRAT( 72 ) = RKI( 72 ) * YC( HNO4 )\n RXRAT( 73 ) = RKI( 73 ) * YC( HNO4 ) * YC( HO )\n RXRAT( 74 ) = RKI( 74 ) * YC( SO2 ) * YC( HO )\n RXRAT( 75 ) = RKI( 75 ) * YC( CO ) * YC( HO )\n RXRAT( 76 ) = RKI( 76 ) * YC( HO )\n RXRAT( 77 ) = RKI( 77 ) * YC( ETH ) * YC( HO )\n RXRAT( 78 ) = RKI( 78 ) * YC( HC3 ) * YC( HO )\n RXRAT( 79 ) = RKI( 79 ) * YC( HC5 ) * YC( HO )\n RXRAT( 80 ) = RKI( 80 ) * YC( ETE ) * YC( HO )\n RXRAT( 81 ) = RKI( 81 ) * YC( OLT ) * YC( HO )\n RXRAT( 82 ) = RKI( 82 ) * YC( OLI ) * YC( HO )\n RXRAT( 83 ) = RKI( 83 ) * YC( ACE ) * YC( HO )\n RXRAT( 84 ) = RKI( 84 ) * YC( BEN ) * YC( HO )\n RXRAT( 85 ) = RKI( 85 ) * YC( TOL ) * YC( HO )\n RXRAT( 86 ) = RKI( 86 ) * YC( XYM ) * YC( HO )\n RXRAT( 87 ) = RKI( 87 ) * YC( XYE ) * YC( HO )\n RXRAT( 88 ) = RKI( 88 ) * YC( ISO ) * YC( O3 )\n RXRAT( 89 ) = RKI( 89 ) * YC( ISO ) * YC( NO3 )\n RXRAT( 90 ) = RKI( 90 ) * YC( ISO ) * YC( HO )\n RXRAT( 91 ) = RKI( 91 ) * YC( ISOP ) * YC( HO2 )\n RXRAT( 92 ) = RKI( 92 ) * YC( ISOP ) * YC( NO )\n RXRAT( 93 ) = RKI( 93 ) * YC( ISHP ) * YC( HO )\n RXRAT( 94 ) = RKI( 94 ) * YC( INO2 ) * YC( HO2 )\n RXRAT( 95 ) = RKI( 95 ) * YC( INO2 ) * YC( NO )\n RXRAT( 96 ) = RKI( 96 ) * YC( IPN ) * YC( HO2 )\n RXRAT( 97 ) = RKI( 97 ) * YC( ISON ) * YC( HO )\n RXRAT( 98 ) = RKI( 98 ) * YC( ISHP ) * YC( HO )\n RXRAT( 99 ) = RKI( 99 ) * YC( ISHP )\n RXRAT( 100 ) = RKI( 100 ) * YC( IPC ) * YC( NO )\n RXRAT( 101 ) = RKI( 101 ) * YC( NALD ) * YC( HO )\n RXRAT( 102 ) = RKI( 102 ) * YC( NALD ) * YC( NO3 )\n RXRAT( 103 ) = RKI( 103 ) * YC( ISON )\n RXRAT( 104 ) = RKI( 104 ) * YC( API ) * YC( HO )\n RXRAT( 105 ) = RKI( 105 ) * YC( LIM ) * YC( HO )\n RXRAT( 106 ) = RKI( 106 ) * YC( PINAL ) * YC( HO )\n RXRAT( 107 ) = RKI( 107 ) * YC( LIMAL ) * YC( HO )\n RXRAT( 108 ) = RKI( 108 ) * YC( HCHO ) * YC( HO )\n RXRAT( 109 ) = RKI( 109 ) * YC( ACD ) * YC( HO )\n RXRAT( 110 ) = RKI( 110 ) * YC( ALD ) * YC( HO )\n RXRAT( 111 ) = RKI( 111 ) * YC( ACT ) * YC( HO )\n RXRAT( 112 ) = RKI( 112 ) * YC( MEK ) * YC( HO )\n RXRAT( 113 ) = RKI( 113 ) * YC( KET ) * YC( HO )\n RXRAT( 114 ) = RKI( 114 ) * YC( HKET ) * YC( HO )\n RXRAT( 115 ) = RKI( 115 ) * YC( MACR ) * YC( HO )\n RXRAT( 116 ) = RKI( 116 ) * YC( MVK ) * YC( HO )\n RXRAT( 117 ) = RKI( 117 ) * YC( UALD ) * YC( HO )\n RXRAT( 118 ) = RKI( 118 ) * YC( GLY ) * YC( HO )\n RXRAT( 119 ) = RKI( 119 ) * YC( MGLY ) * YC( HO )\n RXRAT( 120 ) = RKI( 120 ) * YC( DCB1 ) * YC( HO )\n RXRAT( 121 ) = RKI( 121 ) * YC( DCB2 ) * YC( HO )\n RXRAT( 122 ) = RKI( 122 ) * YC( DCB3 ) * YC( HO )\n RXRAT( 123 ) = RKI( 123 ) * YC( BALD ) * YC( HO )\n RXRAT( 124 ) = RKI( 124 ) * YC( PHEN ) * YC( HO )\n RXRAT( 125 ) = RKI( 125 ) * YC( CSL ) * YC( HO )\n RXRAT( 126 ) = RKI( 126 ) * YC( MCT ) * YC( HO )\n RXRAT( 127 ) = RKI( 127 ) * YC( MOH ) * YC( HO )\n RXRAT( 128 ) = RKI( 128 ) * YC( EOH ) * YC( HO )\n RXRAT( 129 ) = RKI( 129 ) * YC( ROH ) * YC( HO )\n RXRAT( 130 ) = RKI( 130 ) * YC( ETEG ) * YC( HO )\n RXRAT( 131 ) = RKI( 131 ) * YC( OP1 ) * YC( HO )\n RXRAT( 132 ) = RKI( 132 ) * YC( OP2 ) * YC( HO )\n RXRAT( 133 ) = RKI( 133 ) * YC( OPB ) * YC( HO )\n RXRAT( 134 ) = RKI( 134 ) * YC( OP3 ) * YC( HO )\n RXRAT( 135 ) = RKI( 135 ) * YC( MAHP ) * YC( HO )\n RXRAT( 136 ) = RKI( 136 ) * YC( ORA1 ) * YC( HO )\n RXRAT( 137 ) = RKI( 137 ) * YC( ORA2 ) * YC( HO )\n RXRAT( 138 ) = RKI( 138 ) * YC( PAA ) * YC( HO )\n RXRAT( 139 ) = RKI( 139 ) * YC( PAN ) * YC( HO )\n RXRAT( 140 ) = RKI( 140 ) * YC( PPN ) * YC( HO )\n RXRAT( 141 ) = RKI( 141 ) * YC( MPAN ) * YC( HO )\n RXRAT( 142 ) = RKI( 142 ) * YC( ONIT ) * YC( HO )\n RXRAT( 143 ) = RKI( 143 ) * YC( TRPN ) * YC( HO )\n RXRAT( 144 ) = RKI( 144 ) * YC( ETE ) * YC( O3 )\n RXRAT( 145 ) = RKI( 145 ) * YC( OLT ) * YC( O3 )\n RXRAT( 146 ) = RKI( 146 ) * YC( OLI ) * YC( O3 )\n RXRAT( 147 ) = RKI( 147 ) * YC( API ) * YC( O3 )\n RXRAT( 148 ) = RKI( 148 ) * YC( LIM ) * YC( O3 )\n RXRAT( 149 ) = RKI( 149 ) * YC( LIMAL ) * YC( O3 )\n RXRAT( 150 ) = RKI( 150 ) * YC( TRPN ) * YC( O3 )\n RXRAT( 151 ) = RKI( 151 ) * YC( MACR ) * YC( O3 )\n RXRAT( 152 ) = RKI( 152 ) * YC( MVK ) * YC( O3 )\n RXRAT( 153 ) = RKI( 153 ) * YC( UALD ) * YC( O3 )\n RXRAT( 154 ) = RKI( 154 ) * YC( DCB1 ) * YC( O3 )\n RXRAT( 155 ) = RKI( 155 ) * YC( DCB2 ) * YC( O3 )\n RXRAT( 156 ) = RKI( 156 ) * YC( DCB3 ) * YC( O3 )\n RXRAT( 157 ) = RKI( 157 ) * YC( MCTO ) * YC( O3 )\n RXRAT( 158 ) = RKI( 158 ) * YC( ETE ) * YC( NO3 )\n RXRAT( 159 ) = RKI( 159 ) * YC( OLT ) * YC( NO3 )\n RXRAT( 160 ) = RKI( 160 ) * YC( OLI ) * YC( NO3 )\n RXRAT( 161 ) = RKI( 161 ) * YC( API ) * YC( NO3 )\n RXRAT( 162 ) = RKI( 162 ) * YC( LIM ) * YC( NO3 )\n RXRAT( 163 ) = RKI( 163 ) * YC( TRPN ) * YC( NO3 )\n RXRAT( 164 ) = RKI( 164 ) * YC( HCHO ) * YC( NO3 )\n RXRAT( 165 ) = RKI( 165 ) * YC( ACD ) * YC( NO3 )\n RXRAT( 166 ) = RKI( 166 ) * YC( ALD ) * YC( NO3 )\n RXRAT( 167 ) = RKI( 167 ) * YC( MACR ) * YC( NO3 )\n RXRAT( 168 ) = RKI( 168 ) * YC( UALD ) * YC( NO3 )\n RXRAT( 169 ) = RKI( 169 ) * YC( GLY ) * YC( NO3 )\n RXRAT( 170 ) = RKI( 170 ) * YC( MGLY ) * YC( NO3 )\n RXRAT( 171 ) = RKI( 171 ) * YC( PHEN ) * YC( NO3 )\n RXRAT( 172 ) = RKI( 172 ) * YC( CSL ) * YC( NO3 )\n RXRAT( 173 ) = RKI( 173 ) * YC( MCT ) * YC( NO3 )\n RXRAT( 174 ) = RKI( 174 ) * YC( MPAN ) * YC( NO3 )\n RXRAT( 175 ) = RKI( 175 ) * YC( PINALP )\n RXRAT( 176 ) = RKI( 176 ) * YC( LIMALP )\n! RXRAT( 177 ) = RKI( 177 ) * YC( ACO3 ) * YC( NO2 )\n RXRAT( 178 ) = RKI( 178 ) * YC( PAN )\n RXRAT( 179 ) = RKI( 179 ) * YC( RCO3 ) * YC( NO2 )\n RXRAT( 180 ) = RKI( 180 ) * YC( PPN )\n RXRAT( 181 ) = RKI( 181 ) * YC( MACP ) * YC( NO2 )\n RXRAT( 182 ) = RKI( 182 ) * YC( MPAN )\n RXRAT( 183 ) = RKI( 183 ) * YC( MO2 ) * YC( NO )\n RXRAT( 184 ) = RKI( 184 ) * YC( ETHP ) * YC( NO )\n RXRAT( 185 ) = RKI( 185 ) * YC( HC3P ) * YC( NO )\n RXRAT( 186 ) = RKI( 186 ) * YC( HC5P ) * YC( NO )\n RXRAT( 187 ) = RKI( 187 ) * YC( ETEP ) * YC( NO )\n RXRAT( 188 ) = RKI( 188 ) * YC( OLTP ) * YC( NO )\n RXRAT( 189 ) = RKI( 189 ) * YC( OLIP ) * YC( NO )\n RXRAT( 190 ) = RKI( 190 ) * YC( BENP ) * YC( NO )\n RXRAT( 191 ) = RKI( 191 ) * YC( TOLP ) * YC( NO )\n RXRAT( 192 ) = RKI( 192 ) * YC( XYMP ) * YC( NO )\n RXRAT( 193 ) = RKI( 193 ) * YC( XYEP ) * YC( NO )\n RXRAT( 194 ) = RKI( 194 ) * YC( APIP1 ) * YC( NO )\n RXRAT( 195 ) = RKI( 195 ) * YC( APIP2 ) * YC( NO )\n RXRAT( 196 ) = RKI( 196 ) * YC( APINP1 ) * YC( NO )\n RXRAT( 197 ) = RKI( 197 ) * YC( APINP2 ) * YC( NO )\n RXRAT( 198 ) = RKI( 198 ) * YC( LIMP1 ) * YC( NO )\n RXRAT( 199 ) = RKI( 199 ) * YC( LIMP2 ) * YC( NO )\n RXRAT( 200 ) = RKI( 200 ) * YC( LIMNP1 ) * YC( NO )\n RXRAT( 201 ) = RKI( 201 ) * YC( LIMNP2 ) * YC( NO )\n RXRAT( 202 ) = RKI( 202 ) * YC( PINALP ) * YC( NO )\n RXRAT( 203 ) = RKI( 203 ) * YC( LIMALP ) * YC( NO )\n RXRAT( 204 ) = RKI( 204 ) * YC( ACO3 ) * YC( NO )\n RXRAT( 205 ) = RKI( 205 ) * YC( RCO3 ) * YC( NO )\n RXRAT( 206 ) = RKI( 206 ) * YC( ACTP ) * YC( NO )\n RXRAT( 207 ) = RKI( 207 ) * YC( MEKP ) * YC( NO )\n RXRAT( 208 ) = RKI( 208 ) * YC( KETP ) * YC( NO )\n RXRAT( 209 ) = RKI( 209 ) * YC( MACP ) * YC( NO )\n RXRAT( 210 ) = RKI( 210 ) * YC( MCP ) * YC( NO )\n RXRAT( 211 ) = RKI( 211 ) * YC( MVKP ) * YC( NO )\n RXRAT( 212 ) = RKI( 212 ) * YC( UALP ) * YC( NO )\n RXRAT( 213 ) = RKI( 213 ) * YC( BALP ) * YC( NO )\n RXRAT( 214 ) = RKI( 214 ) * YC( BAL1 ) * YC( NO )\n RXRAT( 215 ) = RKI( 215 ) * YC( ADDC ) * YC( NO )\n RXRAT( 216 ) = RKI( 216 ) * YC( MCTP ) * YC( NO )\n RXRAT( 217 ) = RKI( 217 ) * YC( ORAP ) * YC( NO )\n RXRAT( 218 ) = RKI( 218 ) * YC( OLNN ) * YC( NO )\n RXRAT( 219 ) = RKI( 219 ) * YC( OLND ) * YC( NO )\n RXRAT( 220 ) = RKI( 220 ) * YC( ADCN ) * YC( NO )\n RXRAT( 221 ) = RKI( 221 ) * YC( XO2 ) * YC( NO )\n RXRAT( 222 ) = RKI( 222 ) * YC( BAL2 ) * YC( NO2 )\n RXRAT( 223 ) = RKI( 223 ) * YC( CHO ) * YC( NO2 )\n RXRAT( 224 ) = RKI( 224 ) * YC( MCTO ) * YC( NO2 )\n RXRAT( 225 ) = RKI( 225 ) * YC( MO2 ) * YC( HO2 )\n RXRAT( 226 ) = RKI( 226 ) * YC( ETHP ) * YC( HO2 )\n RXRAT( 227 ) = RKI( 227 ) * YC( HC3P ) * YC( HO2 )\n RXRAT( 228 ) = RKI( 228 ) * YC( HC5P ) * YC( HO2 )\n RXRAT( 229 ) = RKI( 229 ) * YC( ETEP ) * YC( HO2 )\n RXRAT( 230 ) = RKI( 230 ) * YC( OLTP ) * YC( HO2 )\n RXRAT( 231 ) = RKI( 231 ) * YC( OLIP ) * YC( HO2 )\n RXRAT( 232 ) = RKI( 232 ) * YC( BENP ) * YC( HO2 )\n RXRAT( 233 ) = RKI( 233 ) * YC( TOLP ) * YC( HO2 )\n RXRAT( 234 ) = RKI( 234 ) * YC( XYMP ) * YC( HO2 )\n RXRAT( 235 ) = RKI( 235 ) * YC( XYEP ) * YC( HO2 )\n RXRAT( 236 ) = RKI( 236 ) * YC( APIP1 ) * YC( HO2 )\n RXRAT( 237 ) = RKI( 237 ) * YC( APIP2 ) * YC( HO2 )\n RXRAT( 238 ) = RKI( 238 ) * YC( APINP1 ) * YC( HO2 )\n RXRAT( 239 ) = RKI( 239 ) * YC( APINP2 ) * YC( HO2 )\n RXRAT( 240 ) = RKI( 240 ) * YC( LIMP1 ) * YC( HO2 )\n RXRAT( 241 ) = RKI( 241 ) * YC( LIMP2 ) * YC( HO2 )\n RXRAT( 242 ) = RKI( 242 ) * YC( LIMNP1 ) * YC( HO2 )\n RXRAT( 243 ) = RKI( 243 ) * YC( LIMNP2 ) * YC( HO2 )\n RXRAT( 244 ) = RKI( 244 ) * YC( PINALP ) * YC( HO2 )\n RXRAT( 245 ) = RKI( 245 ) * YC( LIMALP ) * YC( HO2 )\n RXRAT( 246 ) = RKI( 246 ) * YC( ACO3 ) * YC( HO2 )\n RXRAT( 247 ) = RKI( 247 ) * YC( RCO3 ) * YC( HO2 )\n RXRAT( 248 ) = RKI( 248 ) * YC( ACTP ) * YC( HO2 )\n RXRAT( 249 ) = RKI( 249 ) * YC( MEKP ) * YC( HO2 )\n RXRAT( 250 ) = RKI( 250 ) * YC( KETP ) * YC( HO2 )\n RXRAT( 251 ) = RKI( 251 ) * YC( MACP ) * YC( HO2 )\n RXRAT( 252 ) = RKI( 252 ) * YC( MCP ) * YC( HO2 )\n RXRAT( 253 ) = RKI( 253 ) * YC( MVKP ) * YC( HO2 )\n RXRAT( 254 ) = RKI( 254 ) * YC( UALP ) * YC( HO2 )\n RXRAT( 255 ) = RKI( 255 ) * YC( ADDC ) * YC( HO2 )\n RXRAT( 256 ) = RKI( 256 ) * YC( CHO ) * YC( HO2 )\n RXRAT( 257 ) = RKI( 257 ) * YC( MCTP ) * YC( HO2 )\n RXRAT( 258 ) = RKI( 258 ) * YC( ORAP ) * YC( HO2 )\n RXRAT( 259 ) = RKI( 259 ) * YC( OLNN ) * YC( HO2 )\n RXRAT( 260 ) = RKI( 260 ) * YC( OLND ) * YC( HO2 )\n RXRAT( 261 ) = RKI( 261 ) * YC( ADCN ) * YC( HO2 )\n RXRAT( 262 ) = RKI( 262 ) * YC( XO2 ) * YC( HO2 )\n RXRAT( 263 ) = RKI( 263 ) * YC( MO2 ) * YC( MO2 )\n RXRAT( 264 ) = RKI( 264 ) * YC( ETHP ) * YC( MO2 )\n RXRAT( 265 ) = RKI( 265 ) * YC( HC3P ) * YC( MO2 )\n RXRAT( 266 ) = RKI( 266 ) * YC( HC5P ) * YC( MO2 )\n RXRAT( 267 ) = RKI( 267 ) * YC( ETEP ) * YC( MO2 )\n RXRAT( 268 ) = RKI( 268 ) * YC( OLTP ) * YC( MO2 )\n RXRAT( 269 ) = RKI( 269 ) * YC( OLIP ) * YC( MO2 )\n RXRAT( 270 ) = RKI( 270 ) * YC( BENP ) * YC( MO2 )\n RXRAT( 271 ) = RKI( 271 ) * YC( TOLP ) * YC( MO2 )\n RXRAT( 272 ) = RKI( 272 ) * YC( XYMP ) * YC( MO2 )\n RXRAT( 273 ) = RKI( 273 ) * YC( XYEP ) * YC( MO2 )\n RXRAT( 274 ) = RKI( 274 ) * YC( ISOP ) * YC( MO2 )\n RXRAT( 275 ) = RKI( 275 ) * YC( APIP1 ) * YC( MO2 )\n RXRAT( 276 ) = RKI( 276 ) * YC( APIP2 ) * YC( MO2 )\n RXRAT( 277 ) = RKI( 277 ) * YC( APINP1 ) * YC( MO2 )\n RXRAT( 278 ) = RKI( 278 ) * YC( APINP2 ) * YC( MO2 )\n RXRAT( 279 ) = RKI( 279 ) * YC( LIMP1 ) * YC( MO2 )\n RXRAT( 280 ) = RKI( 280 ) * YC( LIMP2 ) * YC( MO2 )\n RXRAT( 281 ) = RKI( 281 ) * YC( LIMNP1 ) * YC( MO2 )\n RXRAT( 282 ) = RKI( 282 ) * YC( LIMNP2 ) * YC( MO2 )\n RXRAT( 283 ) = RKI( 283 ) * YC( ACO3 ) * YC( MO2 )\n RXRAT( 284 ) = RKI( 284 ) * YC( RCO3 ) * YC( MO2 )\n RXRAT( 285 ) = RKI( 285 ) * YC( ACTP ) * YC( MO2 )\n RXRAT( 286 ) = RKI( 286 ) * YC( MEKP ) * YC( MO2 )\n RXRAT( 287 ) = RKI( 287 ) * YC( KETP ) * YC( MO2 )\n RXRAT( 288 ) = RKI( 288 ) * YC( MACP ) * YC( MO2 )\n RXRAT( 289 ) = RKI( 289 ) * YC( MCP ) * YC( MO2 )\n RXRAT( 290 ) = RKI( 290 ) * YC( MVKP ) * YC( MO2 )\n RXRAT( 291 ) = RKI( 291 ) * YC( UALP ) * YC( MO2 )\n RXRAT( 292 ) = RKI( 292 ) * YC( BALP ) * YC( MO2 )\n RXRAT( 293 ) = RKI( 293 ) * YC( BAL1 ) * YC( MO2 )\n RXRAT( 294 ) = RKI( 294 ) * YC( ADDC ) * YC( MO2 )\n RXRAT( 295 ) = RKI( 295 ) * YC( MCTP ) * YC( MO2 )\n RXRAT( 296 ) = RKI( 296 ) * YC( ORAP ) * YC( MO2 )\n RXRAT( 297 ) = RKI( 297 ) * YC( OLNN ) * YC( MO2 )\n RXRAT( 298 ) = RKI( 298 ) * YC( OLND ) * YC( MO2 )\n RXRAT( 299 ) = RKI( 299 ) * YC( ADCN ) * YC( MO2 )\n RXRAT( 300 ) = RKI( 300 ) * YC( XO2 ) * YC( MO2 )\n RXRAT( 301 ) = RKI( 301 ) * YC( ETHP ) * YC( ACO3 )\n RXRAT( 302 ) = RKI( 302 ) * YC( HC3P ) * YC( ACO3 )\n RXRAT( 303 ) = RKI( 303 ) * YC( HC5P ) * YC( ACO3 )\n RXRAT( 304 ) = RKI( 304 ) * YC( ETEP ) * YC( ACO3 )\n RXRAT( 305 ) = RKI( 305 ) * YC( OLTP ) * YC( ACO3 )\n RXRAT( 306 ) = RKI( 306 ) * YC( OLIP ) * YC( ACO3 )\n RXRAT( 307 ) = RKI( 307 ) * YC( BENP ) * YC( ACO3 )\n RXRAT( 308 ) = RKI( 308 ) * YC( TOLP ) * YC( ACO3 )\n RXRAT( 309 ) = RKI( 309 ) * YC( XYMP ) * YC( ACO3 )\n RXRAT( 310 ) = RKI( 310 ) * YC( XYEP ) * YC( ACO3 )\n RXRAT( 311 ) = RKI( 311 ) * YC( ISOP ) * YC( ACO3 )\n RXRAT( 312 ) = RKI( 312 ) * YC( APIP1 ) * YC( ACO3 )\n RXRAT( 313 ) = RKI( 313 ) * YC( APIP2 ) * YC( ACO3 )\n RXRAT( 314 ) = RKI( 314 ) * YC( APINP1 ) * YC( ACO3 )\n RXRAT( 315 ) = RKI( 315 ) * YC( APINP2 ) * YC( ACO3 )\n RXRAT( 316 ) = RKI( 316 ) * YC( LIMP1 ) * YC( ACO3 )\n RXRAT( 317 ) = RKI( 317 ) * YC( LIMP2 ) * YC( ACO3 )\n RXRAT( 318 ) = RKI( 318 ) * YC( LIMNP1 ) * YC( ACO3 )\n RXRAT( 319 ) = RKI( 319 ) * YC( LIMNP2 ) * YC( ACO3 )\n RXRAT( 320 ) = RKI( 320 ) * YC( ACO3 ) * YC( ACO3 )\n RXRAT( 321 ) = RKI( 321 ) * YC( RCO3 ) * YC( ACO3 )\n RXRAT( 322 ) = RKI( 322 ) * YC( ACTP ) * YC( ACO3 )\n RXRAT( 323 ) = RKI( 323 ) * YC( MEKP ) * YC( ACO3 )\n RXRAT( 324 ) = RKI( 324 ) * YC( KETP ) * YC( ACO3 )\n RXRAT( 325 ) = RKI( 325 ) * YC( MACP ) * YC( ACO3 )\n RXRAT( 326 ) = RKI( 326 ) * YC( MCP ) * YC( ACO3 )\n RXRAT( 327 ) = RKI( 327 ) * YC( MVKP ) * YC( ACO3 )\n RXRAT( 328 ) = RKI( 328 ) * YC( UALP ) * YC( ACO3 )\n RXRAT( 329 ) = RKI( 329 ) * YC( BALP ) * YC( ACO3 )\n RXRAT( 330 ) = RKI( 330 ) * YC( BAL1 ) * YC( ACO3 )\n RXRAT( 331 ) = RKI( 331 ) * YC( ADDC ) * YC( ACO3 )\n RXRAT( 332 ) = RKI( 332 ) * YC( MCTP ) * YC( ACO3 )\n RXRAT( 333 ) = RKI( 333 ) * YC( ORAP ) * YC( ACO3 )\n RXRAT( 334 ) = RKI( 334 ) * YC( OLNN ) * YC( ACO3 )\n RXRAT( 335 ) = RKI( 335 ) * YC( OLND ) * YC( ACO3 )\n RXRAT( 336 ) = RKI( 336 ) * YC( ADCN ) * YC( ACO3 )\n RXRAT( 337 ) = RKI( 337 ) * YC( XO2 ) * YC( ACO3 )\n RXRAT( 338 ) = RKI( 338 ) * YC( RCO3 ) * YC( RCO3 )\n RXRAT( 339 ) = RKI( 339 ) * YC( MO2 ) * YC( NO3 )\n RXRAT( 340 ) = RKI( 340 ) * YC( ETHP ) * YC( NO3 )\n RXRAT( 341 ) = RKI( 341 ) * YC( HC3P ) * YC( NO3 )\n RXRAT( 342 ) = RKI( 342 ) * YC( HC5P ) * YC( NO3 )\n RXRAT( 343 ) = RKI( 343 ) * YC( ETEP ) * YC( NO3 )\n RXRAT( 344 ) = RKI( 344 ) * YC( OLTP ) * YC( NO3 )\n RXRAT( 345 ) = RKI( 345 ) * YC( OLIP ) * YC( NO3 )\n RXRAT( 346 ) = RKI( 346 ) * YC( BENP ) * YC( NO3 )\n RXRAT( 347 ) = RKI( 347 ) * YC( TOLP ) * YC( NO3 )\n RXRAT( 348 ) = RKI( 348 ) * YC( XYMP ) * YC( NO3 )\n RXRAT( 349 ) = RKI( 349 ) * YC( XYEP ) * YC( NO3 )\n RXRAT( 350 ) = RKI( 350 ) * YC( ISOP ) * YC( NO3 )\n RXRAT( 351 ) = RKI( 351 ) * YC( APIP1 ) * YC( NO3 )\n RXRAT( 352 ) = RKI( 352 ) * YC( LIMP1 ) * YC( NO3 )\n RXRAT( 353 ) = RKI( 353 ) * YC( ACO3 ) * YC( NO3 )\n RXRAT( 354 ) = RKI( 354 ) * YC( RCO3 ) * YC( NO3 )\n RXRAT( 355 ) = RKI( 355 ) * YC( ACTP ) * YC( NO3 )\n RXRAT( 356 ) = RKI( 356 ) * YC( MEKP ) * YC( NO3 )\n RXRAT( 357 ) = RKI( 357 ) * YC( KETP ) * YC( NO3 )\n RXRAT( 358 ) = RKI( 358 ) * YC( MACP ) * YC( NO3 )\n RXRAT( 359 ) = RKI( 359 ) * YC( MCP ) * YC( NO3 )\n RXRAT( 360 ) = RKI( 360 ) * YC( MVKP ) * YC( NO3 )\n RXRAT( 361 ) = RKI( 361 ) * YC( UALP ) * YC( NO3 )\n RXRAT( 362 ) = RKI( 362 ) * YC( BALP ) * YC( NO3 )\n RXRAT( 363 ) = RKI( 363 ) * YC( BAL1 ) * YC( NO3 )\n RXRAT( 364 ) = RKI( 364 ) * YC( ADDC ) * YC( NO3 )\n RXRAT( 365 ) = RKI( 365 ) * YC( MCTP ) * YC( NO3 )\n RXRAT( 366 ) = RKI( 366 ) * YC( ORAP ) * YC( NO3 )\n RXRAT( 367 ) = RKI( 367 ) * YC( OLNN ) * YC( NO3 )\n RXRAT( 368 ) = RKI( 368 ) * YC( OLND ) * YC( NO3 )\n RXRAT( 369 ) = RKI( 369 ) * YC( ADCN ) * YC( NO3 )\n RXRAT( 370 ) = RKI( 370 ) * YC( OLNN ) * YC( OLNN )\n RXRAT( 371 ) = RKI( 371 ) * YC( OLNN ) * YC( OLND )\n RXRAT( 372 ) = RKI( 372 ) * YC( OLND ) * YC( OLND )\n RXRAT( 373 ) = RKI( 373 ) * YC( XO2 ) * YC( NO3 )\n RXRAT( 374 ) = RKI( 374 ) * YC( XO2 ) * YC( RCO3 )\n RXRAT( 375 ) = RKI( 375 ) * YC( XO2 ) * YC( XO2 )\n RXRAT( 376 ) = RKI( 376 ) * YC( APIP2 ) * YC( APIP1 )\n RXRAT( 377 ) = RKI( 377 ) * YC( APIP2 ) * YC( LIMP1 )\n RXRAT( 378 ) = RKI( 378 ) * YC( APIP2 ) * YC( ISOP )\n RXRAT( 379 ) = RKI( 379 ) * YC( LIMP2 ) * YC( APIP1 )\n RXRAT( 380 ) = RKI( 380 ) * YC( LIMP2 ) * YC( LIMP1 )\n RXRAT( 381 ) = RKI( 381 ) * YC( LIMP2 ) * YC( ISOP )\n RXRAT( 382 ) = RKI( 382 ) * YC( APINP2 ) * YC( APIP1 )\n RXRAT( 383 ) = RKI( 383 ) * YC( APINP2 ) * YC( LIMP1 )\n RXRAT( 384 ) = RKI( 384 ) * YC( APINP2 ) * YC( ISOP )\n RXRAT( 385 ) = RKI( 385 ) * YC( LIMNP2 ) * YC( APIP1 )\n RXRAT( 386 ) = RKI( 386 ) * YC( LIMNP2 ) * YC( LIMP1 )\n RXRAT( 387 ) = RKI( 387 ) * YC( LIMNP2 ) * YC( ISOP )\n RXRAT( 388 ) = RKI( 388 ) * YC( IEPOX ) * YC( HO )\n RXRAT( 389 ) = RKI( 389 ) * YC( VROCIOXY ) * YC( HO )\n RXRAT( 390 ) = RKI( 390 ) * YC( SLOWROC ) * YC( HO )\n RXRAT( 391 ) = RKI( 391 ) * YC( ACRO ) * YC( HO )\n RXRAT( 392 ) = RKI( 392 ) * YC( ACRO ) * YC( O3 )\n RXRAT( 393 ) = RKI( 393 ) * YC( ACRO ) * YC( NO3 )\n RXRAT( 394 ) = RKI( 394 ) * YC( ACRO )\n RXRAT( 395 ) = RKI( 395 ) * YC( BDE13 ) * YC( HO )\n RXRAT( 396 ) = RKI( 396 ) * YC( BDE13P ) * YC( NO )\n RXRAT( 397 ) = RKI( 397 ) * YC( BDE13P ) * YC( NO3 )\n RXRAT( 398 ) = RKI( 398 ) * YC( BDE13P ) * YC( HO2 )\n RXRAT( 399 ) = RKI( 399 ) * YC( BDE13P ) * YC( MO2 )\n RXRAT( 400 ) = RKI( 400 ) * YC( BDE13P ) * YC( ACO3 )\n RXRAT( 401 ) = RKI( 401 ) * YC( BDE13 ) * YC( O3 )\n RXRAT( 402 ) = RKI( 402 ) * YC( BDE13 ) * YC( NO3 )\n RXRAT( 403 ) = RKI( 403 ) * YC( FURAN ) * YC( HO )\n RXRAT( 404 ) = RKI( 404 ) * YC( FURANO2 ) * YC( NO )\n RXRAT( 405 ) = RKI( 405 ) * YC( FURANO2 ) * YC( HO2 )\n RXRAT( 406 ) = RKI( 406 ) * YC( FURANONE ) * YC( HO )\n RXRAT( 407 ) = RKI( 407 ) * YC( FURAN ) * YC( O3 )\n RXRAT( 408 ) = RKI( 408 ) * YC( FURAN ) * YC( NO3 )\n RXRAT( 409 ) = RKI( 409 ) * YC( PROG ) * YC( HO )\n RXRAT( 410 ) = RKI( 410 ) * YC( SESQ ) * YC( NO3 )\n RXRAT( 411 ) = RKI( 411 ) * YC( SESQNRO2 ) * YC( HO2 )\n RXRAT( 412 ) = RKI( 412 ) * YC( SESQNRO2 ) * YC( NO )\n RXRAT( 413 ) = RKI( 413 ) * YC( SESQNRO2 ) * YC( NO3 )\n RXRAT( 414 ) = RKI( 414 ) * YC( SESQ ) * YC( O3 )\n RXRAT( 415 ) = RKI( 415 ) * YC( SESQ ) * YC( HO )\n RXRAT( 416 ) = RKI( 416 ) * YC( SESQRO2 ) * YC( HO2 )\n RXRAT( 417 ) = RKI( 417 ) * YC( SESQRO2 ) * YC( NO3 )\n RXRAT( 418 ) = RKI( 418 ) * YC( SESQRO2 ) * YC( NO )\n RXRAT( 419 ) = RKI( 419 ) * YC( GLY )\n RXRAT( 420 ) = RKI( 420 ) * YC( MGLY )\n RXRAT( 421 ) = RKI( 421 ) * YC( N2O5 )\n RXRAT( 422 ) = RKI( 422 ) * YC( NO2 )\n! RXRAT( 423 ) = RKI( 423 ) * YC( O3 )\n RXRAT( 424 ) = RKI( 424 ) * YC( IEPOX )\n RXRAT( 425 ) = RKI( 425 ) * YC( IEPOXP )\n RXRAT( 426 ) = RKI( 426 ) * YC( IEPOXP ) * YC( ASO4J )\n RXRAT( 427 ) = RKI( 427 ) * YC( VROCP6ALK ) * YC( HO )\n RXRAT( 428 ) = RKI( 428 ) * YC( VROCP5ALK ) * YC( HO )\n RXRAT( 429 ) = RKI( 429 ) * YC( VROCP4ALK ) * YC( HO )\n RXRAT( 430 ) = RKI( 430 ) * YC( VROCP3ALK ) * YC( HO )\n RXRAT( 431 ) = RKI( 431 ) * YC( VROCP2ALK ) * YC( HO )\n RXRAT( 432 ) = RKI( 432 ) * YC( VROCP1ALK ) * YC( HO )\n RXRAT( 433 ) = RKI( 433 ) * YC( HC10 ) * YC( HO )\n RXRAT( 434 ) = RKI( 434 ) * YC( VROCP6ALKP ) * YC( NO )\n RXRAT( 435 ) = RKI( 435 ) * YC( VROCP5ALKP ) * YC( NO )\n RXRAT( 436 ) = RKI( 436 ) * YC( VROCP4ALKP ) * YC( NO )\n RXRAT( 437 ) = RKI( 437 ) * YC( VROCP3ALKP ) * YC( NO )\n RXRAT( 438 ) = RKI( 438 ) * YC( VROCP2ALKP ) * YC( NO )\n RXRAT( 439 ) = RKI( 439 ) * YC( VROCP1ALKP ) * YC( NO )\n RXRAT( 440 ) = RKI( 440 ) * YC( HC10P ) * YC( NO )\n RXRAT( 441 ) = RKI( 441 ) * YC( VROCP6ALKP ) * YC( NO3 )\n RXRAT( 442 ) = RKI( 442 ) * YC( VROCP5ALKP ) * YC( NO3 )\n RXRAT( 443 ) = RKI( 443 ) * YC( VROCP4ALKP ) * YC( NO3 )\n RXRAT( 444 ) = RKI( 444 ) * YC( VROCP3ALKP ) * YC( NO3 )\n RXRAT( 445 ) = RKI( 445 ) * YC( VROCP2ALKP ) * YC( NO3 )\n RXRAT( 446 ) = RKI( 446 ) * YC( VROCP1ALKP ) * YC( NO3 )\n RXRAT( 447 ) = RKI( 447 ) * YC( HC10P ) * YC( NO3 )\n RXRAT( 448 ) = RKI( 448 ) * YC( VROCP6ALKP ) * YC( HO2 )\n RXRAT( 449 ) = RKI( 449 ) * YC( VROCP5ALKP ) * YC( HO2 )\n RXRAT( 450 ) = RKI( 450 ) * YC( VROCP4ALKP ) * YC( HO2 )\n RXRAT( 451 ) = RKI( 451 ) * YC( VROCP3ALKP ) * YC( HO2 )\n RXRAT( 452 ) = RKI( 452 ) * YC( VROCP2ALKP ) * YC( HO2 )\n RXRAT( 453 ) = RKI( 453 ) * YC( VROCP1ALKP ) * YC( HO2 )\n RXRAT( 454 ) = RKI( 454 ) * YC( HC10P ) * YC( HO2 )\n RXRAT( 455 ) = RKI( 455 ) * YC( VROCP6ALKP2 )\n RXRAT( 456 ) = RKI( 456 ) * YC( VROCP5ALKP2 )\n RXRAT( 457 ) = RKI( 457 ) * YC( VROCP4ALKP2 )\n RXRAT( 458 ) = RKI( 458 ) * YC( VROCP3ALKP2 )\n RXRAT( 459 ) = RKI( 459 ) * YC( VROCP2ALKP2 )\n RXRAT( 460 ) = RKI( 460 ) * YC( VROCP1ALKP2 )\n RXRAT( 461 ) = RKI( 461 ) * YC( HC10P2 )\n RXRAT( 462 ) = RKI( 462 ) * YC( VROCP6ALKP2 ) * YC( NO )\n RXRAT( 463 ) = RKI( 463 ) * YC( VROCP5ALKP2 ) * YC( NO )\n RXRAT( 464 ) = RKI( 464 ) * YC( VROCP4ALKP2 ) * YC( NO )\n RXRAT( 465 ) = RKI( 465 ) * YC( VROCP3ALKP2 ) * YC( NO )\n RXRAT( 466 ) = RKI( 466 ) * YC( VROCP2ALKP2 ) * YC( NO )\n RXRAT( 467 ) = RKI( 467 ) * YC( VROCP1ALKP2 ) * YC( NO )\n RXRAT( 468 ) = RKI( 468 ) * YC( HC10P2 ) * YC( NO )\n RXRAT( 469 ) = RKI( 469 ) * YC( VROCP6ALKP2 ) * YC( NO3 )\n RXRAT( 470 ) = RKI( 470 ) * YC( VROCP5ALKP2 ) * YC( NO3 )\n RXRAT( 471 ) = RKI( 471 ) * YC( VROCP4ALKP2 ) * YC( NO3 )\n RXRAT( 472 ) = RKI( 472 ) * YC( VROCP3ALKP2 ) * YC( NO3 )\n RXRAT( 473 ) = RKI( 473 ) * YC( VROCP2ALKP2 ) * YC( NO3 )\n RXRAT( 474 ) = RKI( 474 ) * YC( VROCP1ALKP2 ) * YC( NO3 )\n RXRAT( 475 ) = RKI( 475 ) * YC( HC10P2 ) * YC( NO3 )\n RXRAT( 476 ) = RKI( 476 ) * YC( VROCP6ALKP2 ) * YC( HO2 )\n RXRAT( 477 ) = RKI( 477 ) * YC( VROCP5ALKP2 ) * YC( HO2 )\n RXRAT( 478 ) = RKI( 478 ) * YC( VROCP4ALKP2 ) * YC( HO2 )\n RXRAT( 479 ) = RKI( 479 ) * YC( VROCP3ALKP2 ) * YC( HO2 )\n RXRAT( 480 ) = RKI( 480 ) * YC( VROCP2ALKP2 ) * YC( HO2 )\n RXRAT( 481 ) = RKI( 481 ) * YC( VROCP1ALKP2 ) * YC( HO2 )\n RXRAT( 482 ) = RKI( 482 ) * YC( HC10P2 ) * YC( HO2 )\n RXRAT( 483 ) = RKI( 483 ) * YC( VROCP6ARO ) * YC( HO )\n RXRAT( 484 ) = RKI( 484 ) * YC( VROCP6AROP ) * YC( HO2 )\n RXRAT( 485 ) = RKI( 485 ) * YC( VROCP6AROP ) * YC( NO )\n RXRAT( 486 ) = RKI( 486 ) * YC( VROCP6AROP ) * YC( NO3 )\n RXRAT( 487 ) = RKI( 487 ) * YC( VROCP6AROP ) * YC( MO2 )\n RXRAT( 488 ) = RKI( 488 ) * YC( VROCP6AROP ) * YC( ACO3 )\n RXRAT( 489 ) = RKI( 489 ) * YC( VROCP5ARO ) * YC( HO )\n RXRAT( 490 ) = RKI( 490 ) * YC( VROCP5AROP ) * YC( HO2 )\n RXRAT( 491 ) = RKI( 491 ) * YC( VROCP5AROP ) * YC( NO )\n RXRAT( 492 ) = RKI( 492 ) * YC( VROCP5AROP ) * YC( NO3 )\n RXRAT( 493 ) = RKI( 493 ) * YC( VROCP5AROP ) * YC( MO2 )\n RXRAT( 494 ) = RKI( 494 ) * YC( VROCP5AROP ) * YC( ACO3 )\n RXRAT( 495 ) = RKI( 495 ) * YC( NAPH ) * YC( HO )\n RXRAT( 496 ) = RKI( 496 ) * YC( NAPHP ) * YC( HO2 )\n RXRAT( 497 ) = RKI( 497 ) * YC( NAPHP ) * YC( NO )\n RXRAT( 498 ) = RKI( 498 ) * YC( NAPHP ) * YC( NO3 )\n RXRAT( 499 ) = RKI( 499 ) * YC( NAPHP ) * YC( MO2 )\n RXRAT( 500 ) = RKI( 500 ) * YC( NAPHP ) * YC( ACO3 )\n RXRAT( 501 ) = RKI( 501 ) * YC( VROCN2OXY8 ) * YC( HO )\n RXRAT( 502 ) = RKI( 502 ) * YC( VROCN2OXY4 ) * YC( HO )\n RXRAT( 503 ) = RKI( 503 ) * YC( VROCN2OXY2 ) * YC( HO )\n RXRAT( 504 ) = RKI( 504 ) * YC( VROCN1OXY6 ) * YC( HO )\n RXRAT( 505 ) = RKI( 505 ) * YC( VROCN1OXY3 ) * YC( HO )\n RXRAT( 506 ) = RKI( 506 ) * YC( VROCN1OXY1 ) * YC( HO )\n RXRAT( 507 ) = RKI( 507 ) * YC( VROCP0OXY4 ) * YC( HO )\n RXRAT( 508 ) = RKI( 508 ) * YC( VROCP0OXY2 ) * YC( HO )\n RXRAT( 509 ) = RKI( 509 ) * YC( VROCP1OXY3 ) * YC( HO )\n RXRAT( 510 ) = RKI( 510 ) * YC( VROCP1OXY1 ) * YC( HO )\n RXRAT( 511 ) = RKI( 511 ) * YC( VROCP2OXY2 ) * YC( HO )\n RXRAT( 512 ) = RKI( 512 ) * YC( VROCP3OXY2 ) * YC( HO )\n RXRAT( 513 ) = RKI( 513 ) * YC( VROCP4OXY2 ) * YC( HO )\n RXRAT( 514 ) = RKI( 514 ) * YC( VROCP5OXY1 ) * YC( HO )\n RXRAT( 515 ) = RKI( 515 ) * YC( VROCP6OXY1 ) * YC( HO )\n RXRAT( 516 ) = RKI( 516 ) * YC( OP3 ) * YC( HO )\n\n\n RETURN\n\n END\n" }, { "path": "CCTM/src/gas/ebi_cracmm1amore_aq/hrsolver.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\n SUBROUTINE HRSOLVER( JDATE, JTIME, C, R, L )\n\n\nC**********************************************************************\nC\nC FUNCTION: EBI solver\nC\nC PRECONDITIONS: For the CRACMM1AMORE_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: HRRATES, HRG1, HRG2, HRG3\nC HRG4, HRPRODLOSS\nC DEGRADE\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 16, 2022\nC 21 Jun 10 J.Young: convert for Namelist redesign\nC 18 Jul 14 B.Hutzell: revised 1) to use the RXNS_DATA and RXNS_FUNCTION\nC modules instead of include files and 2) to use\nC real(8) variables\nC**********************************************************************\n\n USE RUNTIME_VARS\n USE UTILIO_DEFN\n USE RXNS_DATA\n USE HRDATA\n USE PA_IRR_MODULE\n#ifdef isam\n USE SA_IRR_DEFN\n#endif\n#ifdef sens\n USE DDM3D_CHEM, ONLY: YCDDM\n USE CGRID_SPCS, ONLY: GC_SPC\n#endif\n USE DEGRADE_ROUTINES, ONLY : DEGRADE, SA_DEGRADE_STEP\n\n\n IMPLICIT NONE\n\nC..INCLUDES:\n\n\nC..ARGUMENTS:\n INTEGER, INTENT( IN ) :: JDATE ! Current date (YYYYDDD)\n INTEGER, INTENT( IN ) :: JTIME ! Current time (HHMMSS)\n INTEGER, INTENT( IN ) :: C, R, L ! Cell col, row, lev\n\nC..PARAMETERS:\n INTEGER, PARAMETER :: MXBKUPS = 5 ! Max no. of back-ups allowed\n INTEGER, PARAMETER :: STAT = 1 ! Status code\n\n REAL( 8 ), PARAMETER :: DTMIN = 1.0D-08 ! Smallest time step allowed, min\n REAL( 8 ), PARAMETER :: EPSLON = 1.0D-30 ! Small number\n REAL( 8 ), PARAMETER :: MAXPRED = 1.0D+03 ! Upper limit on predicted conc\n REAL( 8 ), PARAMETER :: ZERO = 1.0D-40 ! effective zero\n REAL( 8 ), PARAMETER :: FLOOR = 1.0D-08 ! Min conc for RTOL\n\nC..EXTERNAL FUNCTIONS:\n\n\nC..SAVED LOCAL VARIABLES:\n CHARACTER( 16 ), SAVE :: PNAME = 'HRSOLVER' ! Program name\n LOGICAL, SAVE :: LFIRST = .TRUE. ! Flag for first call\n LOGICAL, ALLOCATABLE, SAVE :: LEBISPFL( : ) ! Convergence Error Flag for EBI species\n LOGICAL, ALLOCATABLE, SAVE :: MAXCONC ( : ) ! MAXCONC ERROR Flag for EBI species\n LOGICAL, ALLOCATABLE, SAVE :: NOTMAX ( : ) ! Initial concentration not greater than MAXPRED\n\n REAL( 8 ), ALLOCATABLE, SAVE :: RERROR ( : ) ! Relative Error\n REAL( 8 ), ALLOCATABLE, SAVE :: AERROR ( : ) ! Absolute Error\n\n\nC..SCRATCH LOCAL VARIABLES:\n\n CHARACTER( 132 ) :: MSG ! Message text\n\n INTEGER CELLNO ! Cell no. fo debug output\n INTEGER ITER ! Loop index for Backward Euler iterations\n INTEGER S ! Loop index for species\n INTEGER SP ! Imbedded loop index for species\n INTEGER NEBI ! Loop index for time steps\n INTEGER NINR ! No. of inner time steps\n#ifdef hrdebug\n INTEGER N ! Loop index\n#endif\n INTEGER M ! species index\n INTEGER EBI ! Loop index\n INTEGER NBKUPS ! No. of times time step reduced\n INTEGER ERR ! Allocate error flag\n\n\n LOGICAL LEBI_CONV ! Flag for EBI convergence\n LOGICAL MXFL ! hit MAXPRED flag\n\n REAL( 8 ) DTC ! Time step to take\n REAL( 8 ) DTG ! Time step in degrade routines, sec\n REAL( 8 ) FXDLOSS ! Total loss due to negative stoichiometry\n REAL( 8 ) VARLOSS ! Loss excluding negative stoichiometry\n\n\n#ifdef hrdebug\n CHARACTER( 8 ) :: NOTE ! Convergence fail note\n\n INTEGER COL ! Column to generate deboug output for\n INTEGER ROW ! Row to generate deboug output for\n INTEGER LEV ! Level to generate deboug output for\n INTEGER DBGOUT ! Output unit for debu outpt\n\n LOGICAL LDEBUG ! Debug output flag\n LOGICAL, SAVE :: LOPEN = .FALSE.\n#endif\n\n\nC**********************************************************************\n\n\n IF( LFIRST ) THEN\n LFIRST = .FALSE.\n\n ALLOCATE ( LEBISPFL( NUMB_MECH_SPC ), STAT = ERR )\n IF ( ERR .NE. 0 ) THEN\n MSG = 'Error allocating LEBISPFL'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n END IF\n\n ALLOCATE ( MAXCONC( NUMB_MECH_SPC ), STAT = ERR )\n IF ( ERR .NE. 0 ) THEN\n MSG = 'Error allocating MAXCONC'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n END IF\n\n ALLOCATE ( NOTMAX( NUMB_MECH_SPC ), STAT = ERR )\n IF ( ERR .NE. 0 ) THEN\n MSG = 'Error allocating NOTMAX'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n END IF\n\n ALLOCATE ( RERROR( NUMB_MECH_SPC ), STAT = ERR )\n IF ( ERR .NE. 0 ) THEN\n MSG = 'Error allocating ERROR'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n END IF\n\n ALLOCATE ( AERROR( NUMB_MECH_SPC ), STAT = ERR )\n IF ( ERR .NE. 0 ) THEN\n MSG = 'Error allocating AERROR'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n END IF\n\n END IF\n\n#ifdef sens\n YCDDM = 0.0D0\n#endif\n\nc++++++++++++++++++++++++Debug section++++++++++++++++++++++++++++++++++\n#ifdef hrdebug\n COL = 0\n ROW = 0\n LEV = 0\n IF( C .EQ. COL .AND. R .EQ. ROW .AND. L .EQ. LEV ) THEN\nc IF( JTIME .EQ. 160000 ) THEN\n LDEBUG = .TRUE.\n ELSE\n LDEBUG = .FALSE.\n END IF\n\n IF( LDEBUG ) THEN\n IF( .NOT. LOPEN ) THEN\n DBGOUT = JUNIT()\n OPEN( UNIT = DBGOUT, FILE = 'debug.out' )\n LOPEN = .TRUE.\n END IF\n\n WRITE( DBGOUT, '( A, 2I4, I3, 1X, I7, 1X, I6 ) ' )\n & 'Debug output for col/row/lev/date/time:',\n & C, R, L, JDATE, JTIME\n WRITE( DBGOUT, '( A, F7.2) ' )\n & 'EBI_TMSTEP = ', EBI_TMSTEP\n WRITE( DBGOUT, '( A )' ) 'Starting concs and rate constants'\n DO N = 1, NUMB_MECH_SPC\n WRITE( DBGOUT, '( A, I3, 1X, A, 1X, 1PD13.5 )' )\n & 'SP ',N, CHEMISTRY_SPC( N ), YC( N )\n END DO\n DO N = 1, N_RXNS\n WRITE( DBGOUT, '( A, I3, 1X, 1PD13.5 )' )\n & 'RKI ', N, RKI( N )\n END DO\n END IF\n#endif\nc++++++++++++++++++++++++Debug section++++++++++++++++++++++++++++++++++\n\n\n\n DTC = EBI_TMSTEP\n\n N_EBI_IT = 0\n NBKUPS = 0\n N_INR_STEPS = 1\n NEBI = 1\n LEBI_CONV = .TRUE.\n#ifdef isam\n UPDATE_SOLD = .FALSE.\n UPDATE_PROBABILITIES = .TRUE.\n CALL SA_IRR_UNBLOCKED ( .TRUE., RKI, YC, DTC )\n#endif\n\n\n DO S = 1, NUMB_MECH_SPC\n IF( YC( S ) .LE. MAXPRED )THEN\n NOTMAX( S ) = .TRUE.\n ELSE\n NOTMAX( S ) = .FALSE.\n WRITE(LOGDEV,91000)C, R, L, CHEMISTRY_SPC(S), YC(S)\n END IF\n END DO\n\n! Initial PA_IRR\n IF( CALL_IRR ) CALL PA_IRR ( .TRUE., RKI, YC, DTC )\n SA_DEGRADE_STEP = 0\n TSTEP_EBI: DO ! EBI time-step loop\n\n SUBSTEP_EBI: DO NINR = 1, N_INR_STEPS ! time substeps loop\n! first attempt is sub time-step equals EBI time-step\n\n IF( LEBI_CONV ) YC0 = YC ! Set ICs for EBI iterations\n\n ITER_SUBSTEP: DO ITER = 1, NEBITER ! iteration loop solving for sub time-step\n\n\n N_EBI_IT = N_EBI_IT + 1\n CALL HRRATES\n\nc++++++++++++++++++++++++Debug section++++++++++++++++++++++++++++++++++\n#ifdef hrdebug\n IF( LDEBUG ) THEN\n WRITE( DBGOUT, '( A, I5 )' ) 'ITER NO ', ITER\n WRITE( DBGOUT, '( A, F12.5 )' )\n & ' DTC=', DTC\n\n IF( ITER .EQ. 1 ) THEN\n WRITE( DBGOUT, '( A )' ) 'Starting reaction rates'\n DO N = 1, N_RXNS\n WRITE( DBGOUT, '( A, I3, 1X, 1PD13.5 )' )\n & 'RXRAT ', N, RXRAT( NCELL, N )\n END DO\n END IF\n END IF\n#endif\nc++++++++++++++++++++++++Debug section++++++++++++++++++++++++++++++++++\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Call routines to compute concentrations of groups 1-4\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n CALL HRG1( DTC )\n\n CALL HRG2( DTC )\n\n CALL HRG3( DTC )\n\n CALL HRG4( DTC )\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Do the Euler backward method\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n CALL HRPRODLOSS\n\n DO EBI = 1, N_EBISP\n S = EBISP( EBI )\n YCP( S ) = YC( S )*( ( YC0( S ) + PROD( S ) * DTC )\n & / ( YC( S ) + LOSS( S ) * DTC ) )\n END DO\n\n\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Check for convergence\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n LEBI_CONV = .TRUE.\n MXFL = .FALSE.\n\n DO S = 1, NUMB_MECH_SPC\n LEBISPFL( S ) = .FALSE.\n YCP( S ) = MAX( ZERO, YCP( S ) )\n AERROR( S ) = MAX( ABS( YC(S)-YCP(S) ), EPSLON )\n RERROR( S ) = AERROR( S ) / MAX( FLOOR, ABS( YC(S)+YCP(S) ) )\n IF( RERROR( S ) .GT. RTOL(S) .OR. AERROR( S ) .GT. 1.0D-5 )THEN\n LEBI_CONV = .FALSE.\n LEBISPFL( S ) = .TRUE.\n END IF\nc..test if predictions growing too large\n IF( YCP( S ) .GT. MAXPRED .AND. NOTMAX( S ) ) THEN\n MXFL = .TRUE.\n LEBI_CONV = .FALSE.\n LEBISPFL( S ) = .TRUE.\n END IF\n YC( S ) = YCP( S )\n END DO\nc..test if predictions growing too large, abort interation loop\n IF( MXFL ) EXIT ITER_SUBSTEP\n\nc++++++++++++++++++++++++Debug section++++++++++++++++++++++++++++++++++\n#ifdef hrdebug\n IF( LDEBUG ) THEN\n WRITE( DBGOUT, '( A, I5 )' ) 'Concs after ITER= ', ITER\n DO S = 1, NUMB_MECH_SPC\n\n IF( LEBISPFL( S ) ) THEN\n NOTE = 'CONV FAIL'\n ELSE\n NOTE = ' '\n END IF\n\n WRITE( DBGOUT, '( I3, 1X, A, 1PD13.5, 1X, A )' )\n & S, CHEMISTRY_SPC( S ), YC( S ), NOTE\n END DO\n IF( LEBI_CONV ) WRITE( DBGOUT, '( A )' )\n & '****Convergence achieved'\n END IF\n#endif\nc++++++++++++++++++++++++Debug section++++++++++++++++++++++++++++++++++\n\n IF( LEBI_CONV ) THEN\n\n DTG = 60.0D0 * DTC\n DO S = 1, NUMB_MECH_SPC\n M = CGRID_INDEX( S )\n YCCELL( M ) = YC( S )\n END DO\n#if defined(isam) || defined(verbose_isam)\n SA_DEGRADE_STEP = SA_DEGRADE_STEP + 1\n#endif\n IF( CALL_DEG )CALL DEGRADE(YCCELL, DTG, JDATE, JTIME) ! :WTH Call degradation routine\n\n IF( CALL_IRR ) CALL PA_IRR ( .FALSE., RKI, YC, DTC )\n#ifdef isam\n IF( NEBI .EQ. N_EBI_STEPS )UPDATE_SOLD = .TRUE.\n CALL SA_IRR_UNBLOCKED ( .FALSE., RKI, YC, DTC )\n UPDATE_PROBABILITIES = .FALSE.\n#endif\n\n#ifdef sens\nC Update the sum for the average over the chemistry integration\n YCDDM = YCDDM\n & + ( ( 0.5D0 * DTC ) * ( YC + YC0 ) )\n#endif\n\n CYCLE SUBSTEP_EBI ! solve for next sub time-step\n\n END IF\n\n END DO ITER_SUBSTEP\n! interating for substep failed, attempt to increase number of sub time-steps\n NBKUPS = NBKUPS + 1\n\n! IF( NBKUPS .LE. MXBKUPS ) THEN\n IF ( DTC .GT. DTMIN ) THEN\n! reset YC and cut sub time-step in half\n IF ( MXFL ) THEN\n WRITE( LOGDEV, 92008 ) NBKUPS\n WRITE( LOGDEV, 92009 ) C+PECOL_OFFSET, R+PEROW_OFFSET, L\n DO S = 1, NUMB_MECH_SPC\n IF( LEBISPFL( S ) )WRITE( LOGDEV, 92010 )TRIM( CHEMISTRY_SPC( S ) ),\n & YC0(S), YCP(S)\n END DO\n ELSE\n WRITE( LOGDEV, 92000 ) C+PECOL_OFFSET, R+PEROW_OFFSET, L, NBKUPS\n DO S = 1, NUMB_MECH_SPC\n IF( LEBISPFL( S ) )WRITE( LOGDEV, 92010 )TRIM( CHEMISTRY_SPC( S ) ),\n & YC0(S), YCP(S)\n END DO\n END IF\n\n YC = YC0 ! Set ICs for EBI time-step\n\n DTC = 0.5D0 * DTC\n\n N_INR_STEPS = 2 ** NBKUPS\n\n EXIT SUBSTEP_EBI\n\n ELSE\n\n WRITE( LOGDEV, 92040 ) C+PECOL_OFFSET, R+PEROW_OFFSET, L\n\n WRITE( LOGDEV, 92060 )\n DO S = 1, NUMB_MECH_SPC\n IF( LEBISPFL( S ) ) WRITE( LOGDEV, 92080 ) CHEMISTRY_SPC( S ),\n & YC0(S), YCP(S)\n END DO\n\n MSG = 'ERROR: Stopping because of EBI convergence failures'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT2 )\n\n END IF\n\n END DO SUBSTEP_EBI\n\n IF( LEBI_CONV )THEN\n NEBI = 1 + NEBI\n! test for completing final EBI time-step\n IF( NEBI .GT. N_EBI_STEPS )EXIT TSTEP_EBI\n! test whether backups were done\n IF( NBKUPS .EQ. 0 )CYCLE TSTEP_EBI\n! Reset NBKUPS, N_INR_STEPS and sub-time step\n NBKUPS = 0\n N_INR_STEPS = 1\n DTC = EBI_TMSTEP\n END IF\n\n END DO TSTEP_EBI\n\n#ifdef sens\n! Compute average over integration and filter values\n YCDDM = YCDDM / CHEMSTEP\n WHERE ( YCDDM .LT. 1.0D-25 ) YCDDM = 0.0D0\n#endif\n\n\n RETURN\n\n\n91000 FORMAT( 'WARNING: EBI solver in cell (',2(I4,','),I4,') Init.Conc. for ',\n & A16, ' = ', ES12.4,' ppmV')\n\n92000 FORMAT( 'WARNING: EBI Euler convergence failure' /\n & ' Reducing EBI time step because of ',\n & ' convergence failure in ' /\n & ' Cell (', I3, ', ', I3, ', ', I3, ')' ,\n & ' Solution Attempt #', I2 /\n & ' Below Species Causing Error: Init.Conc, Pred.Conc.' )\n\n92008 FORMAT( 'WARNING: At solution attempt #', I2 )\n92009 FORMAT( 'WARNING: EBI Euler convergence failure' /\n & ' Reducing EBI time step because of ',\n & ' MAXPRED failure in ' /\n & ' Cell (', I3, ', ', I3, ', ', I3, ')' ,\n & ' for the below species: : Init.Conc, Pred.Conc.')\n92010 FORMAT( A16, 2(1X,ES12.4), ' ppmV' )\n\n92040 FORMAT( 'ERROR: Max number of EBI time step reductions exceeded'\n & / ' Convergence failure for cell (', I3, ', ', I3,\n & ', ', I3, ')' )\n\n92060 FORMAT( ' Convergence failure for the following species:',\n & 'Init.Conc, Pred.Conc.' )\n\n92080 FORMAT( 10X, A, 2(1X,ES12.4), ' ppmV ' )\n\n92061 FORMAT( ' Convergence failure for the following species:',\n & 'Init.Conc, Pred.Conc.,Rel.Error,' )\n\n92081 FORMAT( 10X, A, 2(1X,ES12.4), ' ppmV ', ES12.4,'%' )\n\n END\n" }, { "path": "CCTM/src/gas/ebi_cracmm2/hrdata_mod.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n MODULE HRDATA\n\nC*************************************************************************\nC\nC FUNCTION: Mechanism & solver data for EBI solver\nC\nC PRECONDITIONS: For the CRACMM2 mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Mar 15, 2024\nC\nC 18 Jul 14 B.Hutzell: revised to use real(8) variables for solution\nC*************************************************************************\n\nc..EBI solver fixed parameters\n INTEGER, PARAMETER :: NEBITER = 1000 ! No. of iterations for EBI\n INTEGER, PARAMETER :: MAX_CELLS_EBI = 1 ! max # cells in local conc arrays\n REAL( 8 ), PARAMETER :: DELTAT = 2.500D+00 ! EBI time step (min)\n\nc..Mechanism specific variables\n INTEGER N_SPEC ! No. of species in mechanism\n INTEGER N_RXNS ! No. of reactions in mechanism\n INTEGER N_EBISP ! No. of species solved by EBI\n INTEGER NING1 ! No. of species in group 1\n INTEGER NING2 ! No. of species in group 2\n INTEGER N_SPCL_RKS ! No. of special rate constants\n INTEGER N_ACTSP ! No. of species in mechanism (non-ss spec)\n INTEGER NCELL ! cell number in EBI Block\n\nc..Control flags\n LOGICAL L_AE_VRSN ! Flag for aerosol version of mech\n LOGICAL L_AQ_VRSN ! Flag for aqueous chemistry version of mech\n LOGICAL CALL_IRR ! Flag initializing for IRR and calling PA_IRR\n\n ! SWITCH for calling DEGRADE routine\n LOGICAL, SAVE :: CALL_DEG = .TRUE.\n\nc..Miscellaneous variables\n INTEGER N_EBI_IT ! No. of iterations for EBI\n INTEGER N_EBI_STEPS ! No. of time steps for EBI\n INTEGER N_INR_STEPS ! No. of inner time steps for EBI\n INTEGER PECOL_OFFSET ! Local Column Offset for processor\n INTEGER PEROW_OFFSET ! Local Column Offset for processor\n \n INTEGER, SAVE :: MODEL_SPECIES ! No. of species in CGRID\n\n REAL( 8 ) EBI_TMSTEP ! Time step for EBI loops (min)\n REAL( 8 ) CHEMSTEP ! Chemistry integration interval (min)\n\nc...Allocatable arrays\n INTEGER, ALLOCATABLE :: EBISP( : ) ! Index of EBI species\n INTEGER, ALLOCATABLE :: SSASP( : ) ! Index of ss species\n INTEGER, ALLOCATABLE :: ACTSP( : ) ! Index of active species\n INTEGER, ALLOCATABLE :: IOLD2NEW( :,: ) ! YC species map, used if NSPECIAL > 0\n\n REAL( 8 ), ALLOCATABLE :: RKI( : ) ! Rate constants\n REAL( 8 ), ALLOCATABLE :: RKI_SAV( :, : ) ! Saved values of RKI for SS species calcs\n\n REAL( 8 ), ALLOCATABLE :: YC ( : ) ! Species concentrations\n REAL( 8 ), ALLOCATABLE :: YC0( : ) ! Species concentrations\n REAL( 8 ), ALLOCATABLE :: YCP( : ) ! Species concentrations\n REAL( 8 ), ALLOCATABLE :: SYC( :, : ) ! Species concentrations\n\n REAL, ALLOCATABLE :: FORWARD_CONV( : ) ! CGRID to CHEM Species conversion factor\n REAL, ALLOCATABLE :: REVERSE_CONV( : ) ! CHEM to CGRID Species conversion factor\n\n REAL( 8 ), ALLOCATABLE :: RXRAT( : ) ! Reaction rates\n REAL( 8 ), ALLOCATABLE :: RTOL( : ) ! Species tolerances\n REAL( 8 ), ALLOCATABLE :: YCCELL( : ) ! ALL Species in cgrid\n REAL( 8 ), ALLOCATABLE :: PROD( : ) ! Prod of species\n REAL( 8 ), ALLOCATABLE :: LOSS( : ) ! Loss of species\n\n REAL, ALLOCATABLE :: PRES( :, :, : ) ! pressure (Pa)\n REAL, ALLOCATABLE :: QV ( :, :, : ) ! water vapor (Kg/Kg air)\n REAL, ALLOCATABLE :: TA ( :, :, : ) ! temperature (K)\n\n REAL, ALLOCATABLE :: SEAICE ( :, :) ! fractional seaice cover, [-]\n REAL, ALLOCATABLE :: DENS( :, :, : ) ! mass density (Kg/m^3)\n\n REAL, ALLOCATABLE :: SEAWATER_ZONE ( :,: ) ! fractional area of OPEN+SURF\n LOGICAL, ALLOCATABLE :: LFLAGIRR ( :,:,: ) ! Conduct IRR for cell\n\n REAL( 8 ), ALLOCATABLE :: ATMPRES ( : ) ! Cell pressure, Atm\n! REAL( 8 ), ALLOCATABLE :: PRESCELL( : ) ! Cell pressure, Pa\n REAL( 8 ), ALLOCATABLE :: H2O ( : ) ! Cell H2O mixing ratio (ppmV)\n REAL( 8 ), ALLOCATABLE :: TEMP ( : ) ! Cell Temperature\n REAL( 8 ), ALLOCATABLE :: DENSITY ( : ) ! Cell mass density (Kg/m3)\n REAL( 8 ), ALLOCATABLE :: HET ( :, : ) ! cell heterogeneous reaction rates\n REAL( 8 ), ALLOCATABLE :: RJIN ( :, : ) ! J-values for a cell\n REAL( 8 ), ALLOCATABLE :: SEAWATER ( : ) ! fractional area of OPEN+SURF for specific cell\n\nc..Species indices\n INTEGER, PARAMETER :: O3 = 1\n INTEGER, PARAMETER :: O3P = 2\n INTEGER, PARAMETER :: O1D = 3\n INTEGER, PARAMETER :: H2O2 = 4\n INTEGER, PARAMETER :: HO = 5\n INTEGER, PARAMETER :: NO2 = 6\n INTEGER, PARAMETER :: NO = 7\n INTEGER, PARAMETER :: NO3 = 8\n INTEGER, PARAMETER :: HONO = 9\n INTEGER, PARAMETER :: HNO3 = 10\n INTEGER, PARAMETER :: HNO4 = 11\n INTEGER, PARAMETER :: HO2 = 12\n INTEGER, PARAMETER :: HCHO = 13\n INTEGER, PARAMETER :: CO = 14\n INTEGER, PARAMETER :: ACD = 15\n INTEGER, PARAMETER :: MO2 = 16\n INTEGER, PARAMETER :: ALD = 17\n INTEGER, PARAMETER :: ETHP = 18\n INTEGER, PARAMETER :: ACT = 19\n INTEGER, PARAMETER :: ACO3 = 20\n INTEGER, PARAMETER :: UALD = 21\n INTEGER, PARAMETER :: KET = 22\n INTEGER, PARAMETER :: PINAL = 23\n INTEGER, PARAMETER :: HC10P = 24\n INTEGER, PARAMETER :: LIMAL = 25\n INTEGER, PARAMETER :: MEK = 26\n INTEGER, PARAMETER :: HKET = 27\n INTEGER, PARAMETER :: MACR = 28\n INTEGER, PARAMETER :: MACP = 29\n INTEGER, PARAMETER :: XO2 = 30\n INTEGER, PARAMETER :: MVK = 31\n INTEGER, PARAMETER :: GLY = 32\n INTEGER, PARAMETER :: MGLY = 33\n INTEGER, PARAMETER :: DCB1 = 34\n INTEGER, PARAMETER :: DCB2 = 35\n INTEGER, PARAMETER :: BALD = 36\n INTEGER, PARAMETER :: CHO = 37\n INTEGER, PARAMETER :: OP1 = 38\n INTEGER, PARAMETER :: OP2 = 39\n INTEGER, PARAMETER :: OPB = 40\n INTEGER, PARAMETER :: OP3 = 41\n INTEGER, PARAMETER :: PAA = 42\n INTEGER, PARAMETER :: ONIT = 43\n INTEGER, PARAMETER :: PAN = 44\n INTEGER, PARAMETER :: TRPN = 45\n INTEGER, PARAMETER :: HONIT = 46\n INTEGER, PARAMETER :: N2O5 = 47\n INTEGER, PARAMETER :: SO2 = 48\n INTEGER, PARAMETER :: SULF = 49\n INTEGER, PARAMETER :: SULRXN = 50\n INTEGER, PARAMETER :: ETH = 51\n INTEGER, PARAMETER :: HC3 = 52\n INTEGER, PARAMETER :: HC3P = 53\n INTEGER, PARAMETER :: ASOATJ = 54\n INTEGER, PARAMETER :: HC5 = 55\n INTEGER, PARAMETER :: HC5P = 56\n INTEGER, PARAMETER :: ETE = 57\n INTEGER, PARAMETER :: ETEP = 58\n INTEGER, PARAMETER :: OLT = 59\n INTEGER, PARAMETER :: OLTP = 60\n INTEGER, PARAMETER :: OLI = 61\n INTEGER, PARAMETER :: OLIP = 62\n INTEGER, PARAMETER :: ACE = 63\n INTEGER, PARAMETER :: ORA1 = 64\n INTEGER, PARAMETER :: BEN = 65\n INTEGER, PARAMETER :: BENP = 66\n INTEGER, PARAMETER :: PHEN = 67\n INTEGER, PARAMETER :: TOL = 68\n INTEGER, PARAMETER :: TOLP = 69\n INTEGER, PARAMETER :: CSL = 70\n INTEGER, PARAMETER :: XYL = 71\n INTEGER, PARAMETER :: XYLP = 72\n INTEGER, PARAMETER :: EBZ = 73\n INTEGER, PARAMETER :: EBZP = 74\n INTEGER, PARAMETER :: ISO = 75\n INTEGER, PARAMETER :: ISON = 76\n INTEGER, PARAMETER :: INO2 = 77\n INTEGER, PARAMETER :: ISOP = 78\n INTEGER, PARAMETER :: ISHP = 79\n INTEGER, PARAMETER :: IEPOX = 80\n INTEGER, PARAMETER :: IPX = 81\n INTEGER, PARAMETER :: INALD = 82\n INTEGER, PARAMETER :: ROH = 83\n INTEGER, PARAMETER :: API = 84\n INTEGER, PARAMETER :: APIP1 = 85\n INTEGER, PARAMETER :: APIP2 = 86\n INTEGER, PARAMETER :: LIM = 87\n INTEGER, PARAMETER :: LIMP1 = 88\n INTEGER, PARAMETER :: LIMP2 = 89\n INTEGER, PARAMETER :: PINALP = 90\n INTEGER, PARAMETER :: RCO3 = 91\n INTEGER, PARAMETER :: LIMALP = 92\n INTEGER, PARAMETER :: ACTP = 93\n INTEGER, PARAMETER :: MEKP = 94\n INTEGER, PARAMETER :: KETP = 95\n INTEGER, PARAMETER :: MCP = 96\n INTEGER, PARAMETER :: MVKP = 97\n INTEGER, PARAMETER :: UALP = 98\n INTEGER, PARAMETER :: DCB3 = 99\n INTEGER, PARAMETER :: BALP = 100\n INTEGER, PARAMETER :: ADDC = 101\n INTEGER, PARAMETER :: MCT = 102\n INTEGER, PARAMETER :: MCTO = 103\n INTEGER, PARAMETER :: MOH = 104\n INTEGER, PARAMETER :: EOH = 105\n INTEGER, PARAMETER :: ETEG = 106\n INTEGER, PARAMETER :: MAHP = 107\n INTEGER, PARAMETER :: ORA2 = 108\n INTEGER, PARAMETER :: ORAP = 109\n INTEGER, PARAMETER :: PPN = 110\n INTEGER, PARAMETER :: MPAN = 111\n INTEGER, PARAMETER :: MCTP = 112\n INTEGER, PARAMETER :: OLNN = 113\n INTEGER, PARAMETER :: OLND = 114\n INTEGER, PARAMETER :: APINP1 = 115\n INTEGER, PARAMETER :: APINP2 = 116\n INTEGER, PARAMETER :: LIMNP1 = 117\n INTEGER, PARAMETER :: LIMNP2 = 118\n INTEGER, PARAMETER :: ADCN = 119\n INTEGER, PARAMETER :: HOM = 120\n INTEGER, PARAMETER :: VROCP4OXY2 = 121\n INTEGER, PARAMETER :: VROCN1OXY6 = 122\n INTEGER, PARAMETER :: FURANONE = 123\n INTEGER, PARAMETER :: VROCP3OXY2 = 124\n INTEGER, PARAMETER :: VROCP0OXY4 = 125\n INTEGER, PARAMETER :: BAL1 = 126\n INTEGER, PARAMETER :: BAL2 = 127\n INTEGER, PARAMETER :: ELHOM = 128\n INTEGER, PARAMETER :: VROCIOXY = 129\n INTEGER, PARAMETER :: SLOWROC = 130\n INTEGER, PARAMETER :: ACRO = 131\n INTEGER, PARAMETER :: BDE13 = 132\n INTEGER, PARAMETER :: BDE13P = 133\n INTEGER, PARAMETER :: FURAN = 134\n INTEGER, PARAMETER :: FURANO2 = 135\n INTEGER, PARAMETER :: PROG = 136\n INTEGER, PARAMETER :: SESQ = 137\n INTEGER, PARAMETER :: SESQNRO2 = 138\n INTEGER, PARAMETER :: VROCN2OXY2 = 139\n INTEGER, PARAMETER :: SESQRO2 = 140\n INTEGER, PARAMETER :: VROCP0OXY2 = 141\n INTEGER, PARAMETER :: VROCP1OXY3 = 142\n INTEGER, PARAMETER :: AGLYJ = 143\n INTEGER, PARAMETER :: IEPOXP = 144\n INTEGER, PARAMETER :: AISO3NOSJ = 145\n INTEGER, PARAMETER :: ASO4J = 146\n INTEGER, PARAMETER :: AISO3OSJ = 147\n INTEGER, PARAMETER :: AISO4J = 148\n INTEGER, PARAMETER :: AISO5J = 149\n INTEGER, PARAMETER :: VROCP6ALK = 150\n INTEGER, PARAMETER :: VROCP6ALKP = 151\n INTEGER, PARAMETER :: VROCP5ALK = 152\n INTEGER, PARAMETER :: VROCP5ALKP = 153\n INTEGER, PARAMETER :: VROCP4ALK = 154\n INTEGER, PARAMETER :: VROCP4ALKP = 155\n INTEGER, PARAMETER :: VROCP3ALK = 156\n INTEGER, PARAMETER :: VROCP3ALKP = 157\n INTEGER, PARAMETER :: VROCP2ALK = 158\n INTEGER, PARAMETER :: VROCP2ALKP = 159\n INTEGER, PARAMETER :: VROCP1ALK = 160\n INTEGER, PARAMETER :: VROCP1ALKP = 161\n INTEGER, PARAMETER :: HC10 = 162\n INTEGER, PARAMETER :: VROCP6ALKP2 = 163\n INTEGER, PARAMETER :: VROCP5ALKP2 = 164\n INTEGER, PARAMETER :: VROCP4ALKP2 = 165\n INTEGER, PARAMETER :: VROCP2OXY2 = 166\n INTEGER, PARAMETER :: VROCP3ALKP2 = 167\n INTEGER, PARAMETER :: VROCP1OXY1 = 168\n INTEGER, PARAMETER :: VROCP2ALKP2 = 169\n INTEGER, PARAMETER :: VROCP1ALKP2 = 170\n INTEGER, PARAMETER :: VROCN1OXY1 = 171\n INTEGER, PARAMETER :: HC10P2 = 172\n INTEGER, PARAMETER :: VROCP6ARO = 173\n INTEGER, PARAMETER :: VROCP6AROP = 174\n INTEGER, PARAMETER :: VROCN2OXY4 = 175\n INTEGER, PARAMETER :: VROCN1OXY3 = 176\n INTEGER, PARAMETER :: VROCP5ARO = 177\n INTEGER, PARAMETER :: VROCP5AROP = 178\n INTEGER, PARAMETER :: NAPH = 179\n INTEGER, PARAMETER :: NAPHP = 180\n INTEGER, PARAMETER :: VROCN2OXY8 = 181\n INTEGER, PARAMETER :: VROCP5OXY1 = 182\n INTEGER, PARAMETER :: VROCP6OXY1 = 183\n INTEGER, PARAMETER :: ECH4 = 184\n INTEGER, PARAMETER :: ATRPNJ = 185\n INTEGER, PARAMETER :: AHOMJ = 186\n INTEGER, PARAMETER :: AHONITJ = 187\n INTEGER, PARAMETER :: STY = 188\n INTEGER, PARAMETER :: STYP = 189\n\n END MODULE HRDATA\n" }, { "path": "CCTM/src/gas/ebi_cracmm2/hrdriver.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE CHEM( CGRID, JDATE, JTIME, TSTEP )\nC**********************************************************************\nC\nC FUNCTION: Driver subroutine for Euler Backward Iterative solver\nC\nC PRECONDITIONS: For the CRACMM2 mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: HRINIT, HRCALCKS, HRSOLVER\nC FIND_DEGRADED, INIT_DEGRADE, FINAL_DEGRADE\nC\nC REVISION HISTORY: Created by EBI solver program, Mar 15, 2024\nC Based on the algorithm in \"Test of Two Numerical\nC Schemes for Use in Atmospheric Transport-Chemistry\nC Models\", O. Hertel, R. Berkowicz, J. Christensen,\nC and O. Hov, Atm Env., Vol. 27A, No. 16, 1993.\nC Original MEBI code developed by Ho-Chun Huang,\nC SUNY, Albany -- \"On the performance of numerical\nC solvers for a chemistry submodel in three-dimensional\nC air quality models 1. Box model simulations\",\nC H. Huang and J.S. Chang, JGR, Vol 106, No. D17, 2001.\nC This version replaces Huang and Chang use of numerical\nC solutions with analytical solutions derived in\nC Hertel et al.\nC 21 Jun 10 J.Young: convert for Namelist redesign\nC 11 May 11 D.Wong: incorporated twoway model implementation\nC 27 Sep 11 B.Hutzell: revised method for defining CALL_DEG variable\nC 18 Jul 14 B.Hutzell: revised: 1) to use the RXNS_DATA and RXNS_FUNCTION\nC modules instead of include files, 2) to enable\nC reactions between species types, 3) to calculate\nC heterogeneous rate constants via AEROSOL_CHEMISTRY\nC module, 4) to replace call to HRCALCKS with\nC subroutine in RXNS_FUNCTION module and 5) to change\nC how degrade routines are used, if present\nC 02 Dec 14 B.Hutzell: 1) added terrestrial data to conduct surface\nC dependent reactions and 2) modified the call CALC_RCONST\nC routine\nC 01 Feb 19 D.Wong: Implemented centralized I/O approach, removed all MY_N\nC clauses\nC**********************************************************************\n\n USE HGRD_DEFN ! horizontal domain specifications\n USE VGRD_DEFN ! vertical layer specifications\n USE CGRID_SPCS ! CGRID mechanism species\n USE UTILIO_DEFN ! IOAPI parameters and functions declarations\n USE RXNS_DATA\n USE AEROSOL_CHEMISTRY\n USE RXNS_FUNCTION\n#ifdef isam\n USE SA_IRR_DEFN\n USE SA_DEFN\n#endif\n USE HRDATA\n USE PHOT_MOD, Only: INIT_PHOT_SHARED, RJ ! photolysis rate, in-line module\n USE PA_DEFN, Only: LIRR ! Process Analysis control and data variable\n USE PA_IRR_CLT\n#ifndef isam\n USE DEGRADE_ROUTINES, ONLY : N_REACT, RXTANT_MAP, DEG_LAY, DEG_COL, DEG_ROW,\n & FIND_DEGRADED, INIT_DEGRADE, FINAL_DEGRADE\n#else\n USE DEGRADE_ROUTINES, ONLY : N_REACT, RXTANT_MAP, SA_DEGRADE_EXTRACT,\n & FIND_DEGRADED, INIT_DEGRADE, FINAL_DEGRADE,\n & SA_DEGRADE_UPLOAD, DEG_LAY, DEG_COL, DEG_ROW\n#endif\n USE CENTRALIZED_IO_MODULE, ONLY : INTERPOLATE_VAR, OCEAN, SZONE\n#ifdef sens\n USE DDM3D_CHEM\n Use DDM3D_DEFN, Only: DATENUM, STARTDATE, IPT, IDATE, HIGH, NP, NPMAX, CKTIME\n#endif\n\n IMPLICIT NONE\n\nC..Includes:\n INCLUDE SUBST_FILES_ID ! CMAQ files\n INCLUDE SUBST_CONST ! CMAQ constants\n\n INCLUDE SUBST_EMISPRM ! Emissions processing control parameters\n\nC..Arguments:\n REAL, POINTER :: CGRID( :,:,:,: ) ! Species concentrations\n INTEGER JDATE ! Current date (YYYYDDD)\n INTEGER JTIME ! Current time (HHMMSS)\n INTEGER TSTEP( 3 ) ! Time step vector (HHMMSS)\n\nC..Parameters:\n REAL( 8 ), PARAMETER :: DCONMIN = 1.0D-30 ! minimum species concentration allowed\n REAL, PARAMETER :: CONCMIN = 1.0E-30 ! minimum species concentration allowed\n REAL, PARAMETER :: MAOMV = 1.0E6 * MWAIR / MWWAT ! Mol Wt of air over Mol Wt of water times 1.0E6\n\nC..External Functions:\n\n\nC..Saved Local Variables:\n\n CHARACTER( 16 ), SAVE :: PNAME = 'HRDRIVER' ! Program name\n\n INTEGER, SAVE :: ISTFL ! Unit no. of iteration stat output file\n LOGICAL, SAVE :: LFIRST = .TRUE. ! Flag for first call to this subroutine\n\n REAL( 8 ), SAVE :: PA2ATM ! Pascal to atm conv fac\n\nC..Scratch Local Variables:\n CHARACTER( 132 ) :: MSG ! Message text\n CHARACTER( 16 ) :: VNAME ! Name of I/O API data variable\n\n INTEGER C, E, L, R, S ! Loop indices\n INTEGER ISP ! array index\n\n INTEGER AVGEBI ! Average no. of EBI iterations\n INTEGER DELT_SEC ! EBI max time step in seconds\n INTEGER ESP ! Loop index for emissions species\n INTEGER ITMSTEP ! Chemistry integration interval (sec)\n INTEGER LEV ! Layer index\n INTEGER MIDDATE ! Date at time step midpoint\n INTEGER MIDTIME ! Time at time step midpoint\n INTEGER NPH ! Index for number of phot. rxns in PHOT\n INTEGER SPC ! Species loop index\n#ifdef hrstats\n INTEGER MNEBI ! Min no. of EBI iterations\n INTEGER MXEBI ! Max no. of EBI iterations\n#endif\n\n LOGICAL LSUNLIGHT ! Flag for sunlight\n\n REAL INV_DENS ! reciprocal of air mass density, m3/Kg\n#ifdef hrstats\n REAL SUMEBI ! Sum of EBI iterations\n#endif\n\n INTERFACE\n SUBROUTINE HRSOLVER( JDATE, JTIME, C, R, L )\n INTEGER, INTENT( IN ) :: JDATE ! Current date (YYYYDDD)\n INTEGER, INTENT( IN ) :: JTIME ! Current time (HHMMSS)\n INTEGER, INTENT( IN ) :: C, R, L ! Cell col, row, lev\n END SUBROUTINE HRSOLVER\n SUBROUTINE HETCHEM_UPDATE_AERO( CGRID )\n REAL, POINTER :: CGRID( :,:,:,: ) ! species concentration in cell\n END SUBROUTINE HETCHEM_UPDATE_AERO\n END INTERFACE\n\nC**********************************************************************\n\n IF( NUMB_MECH_SPC .EQ. 0 ) RETURN\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc On first call, call routines to set-up for EBI solver\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF( LFIRST ) THEN\n\n IF( MECHNAME .NE. 'CRACMM2' ) THEN\n MSG = 'This version of the EBI solver can only be used with'\n & // ' the CRACMM2 chemical mechanism'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n#ifdef emis_chem\n EMISVD = .FALSE.\n#else\n EMISVD = .TRUE.\n#endif\n\n IF( INDEX( MECHNAME, 'AE' ) .NE. 0 ) THEN\n L_AE_VRSN = .TRUE.\n ELSE\n L_AE_VRSN = .FALSE.\n END IF\n\n IF( INDEX( MECHNAME, 'AQ' ) .NE. 0 ) THEN\n L_AQ_VRSN = .TRUE.\n ELSE\n L_AQ_VRSN = .FALSE.\n END IF\n\n IF( LIRR ) THEN\n CALL_IRR = .TRUE.\n ELSE\n CALL_IRR = .FALSE.\n END IF\n\n MODEL_SPECIES = NSPCSD ! WTH: find number of model species\n\n! Determine whether DEGRADE rountines are needed.\n\n CALL FIND_DEGRADED( JDATE, JTIME, CALL_DEG )\n IF( CALL_DEG )THEN\n WRITE(LOGDEV,*)'TX DEGRADE ROUTINES USED'\n WRITE(LOGDEV,*)'Mechanism contains degraded species'\n#ifdef verbose_gas\n ELSE\n WRITE(LOGDEV,*)'TX DEGRADE ROUTINES OMITTED'\n WRITE(LOGDEV,*)'MECHANISM does not include degraded species'\n#endif\n END IF\n\n CALL HRINIT\n\n ITMSTEP = TIME2SEC( TSTEP( 2 ) )\n CHEMSTEP = REAL( ITMSTEP, 8 ) / 60.0D0\n WRITE( LOGDEV, 92000 ) CHEMSTEP, DELTAT\n\n WRITE( LOGDEV, 92020 )\n DO SPC = 1, NUMB_MECH_SPC\n WRITE( LOGDEV, 92040 ) CHEMISTRY_SPC( SPC ), RTOL( SPC )\n END DO\n\n PA2ATM = REAL( 1.0 / STDATMPA, 8)\n\nc..If emissions processing requested stop\n IF( .NOT. EMISVD ) THEN ! assumes emis processing in gas chem\n\n MSG = 'ERROR: EBI solver not configured to '//\n & 'process emissions in chemistry'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n\n END IF ! End if doing emissions\n\n\n#ifdef hrstats\n ISTFL = JUNIT()\n OPEN( UNIT=ISTFL, FILE='iterstat.dat' )\n WRITE( ISTFL, 94020 )\n#endif\nC Define processor offsets\n\n PECOL_OFFSET = COLSD_PE( 1, MYPE+1 ) - 1\n PEROW_OFFSET = ROWSD_PE( 1, MYPE+1 ) - 1\n\n ALLOCATE( SEAWATER_ZONE( NCOLS, NROWS ) )\n DO R = 1, NROWS\n DO C = 1, NCOLS\n SEAWATER_ZONE( C,R ) = OCEAN( C,R ) + SZONE( C,R )\n END DO\n END DO\n\n ALLOCATE( DENS( NCOLS, NROWS, NLAYS ), PRES( NCOLS, NROWS, NLAYS ),\n & QV ( NCOLS, NROWS, NLAYS ), TA ( NCOLS, NROWS, NLAYS ),\n & SEAICE( NCOLS, NROWS ) )\n\nC..Initialize shared photolysis data\n CALL INIT_PHOT_SHARED()\n\nC..Determine which cells need IRR\n ALLOCATE( LFLAGIRR ( NCOLS, NROWS, NLAYS ) )\n CALL PA_IRR_CKCELLS ( LFLAGIRR )\n\n#ifdef isam\n NUMB_ISAM_CELLS = 1.0D0 / ( NCOLS * NROWS * NLAYS )\n CALL SA_IRR_INIT\n#endif\n\n#ifdef sens\n CALL INIT_DDM3D_CHEM()\n\nC For higher order sensitivities\n IF ( HIGH ) THEN\n DO RXN = 1, NRXNS\n IF( NREACT( RXN ) .EQ. 1 ) THEN\n ORDER1( RXN ) = .TRUE.\n ELSE\n ORDER1( RXN ) = .FALSE.\n END IF\n END DO\n END IF\n#endif\n\n LFIRST = .FALSE.\n\n END IF ! First time\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC Set date and time to center of time step, get necessary physical\nC data\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n MIDDATE = JDATE\n MIDTIME = JTIME\n ITMSTEP = TIME2SEC( TSTEP( 2 ) )\n CHEMSTEP = REAL( ITMSTEP, 8 ) / 60.0D0\n CALL NEXTIME( MIDDATE, MIDTIME, SEC2TIME( ITMSTEP / 2 ) )\n\nC.. Compute number of time step loops and step size for EBI solver\n DELT_SEC = INT( DELTAT * 60.0D0 + 0.1D0 )\n IF( DELT_SEC .GE. ITMSTEP ) THEN\n N_EBI_STEPS = 2\n EBI_TMSTEP = 0.5D0 * CHEMSTEP\n ELSE\n IF( MOD( ITMSTEP, DELT_SEC ) .EQ. 0 ) THEN\n N_EBI_STEPS = ITMSTEP / DELT_SEC\n ELSE\n N_EBI_STEPS = ITMSTEP / DELT_SEC + 1\n END IF\n EBI_TMSTEP = CHEMSTEP / REAL( N_EBI_STEPS, 8 )\n END IF\n\n N_INR_STEPS = 1\n\n\nC.. Get fractional seaice coverage from the METCRO2D file.\n\n CALL INTERPOLATE_VAR ('SEAICE', MIDDATE, MIDTIME, SEAICE)\n\nC.. Get ambient temperature in K\n\n CALL INTERPOLATE_VAR ('TA', MIDDATE, MIDTIME, TA)\n\nC.. Get specific humidity in Kg H2O / Kg air\n CALL INTERPOLATE_VAR ('QV', MIDDATE, MIDTIME, QV)\n\n! Get ambient MASS DENSITY in Kg/m^3\n CALL INTERPOLATE_VAR ('DENS', MIDDATE, MIDTIME, DENS)\n\nC.. Get pressure in Pascals\n CALL INTERPOLATE_VAR ('PRES', MIDDATE, MIDTIME, PRES)\n\nC.. Get Heteorogeneous rates and Update Aerosol Distribution Properties\n CALL HETCHEM_RATES( TA, PRES, QV, CGRID, DENS )\n\n#ifdef sens\n DATENUM = 1 + JDATE - STARTDATE ! Set the date and hour counters used in sensitivity calls\n\nC For reaction rate sensitivities\n DO NP = 1, NPMAX\n IF ( IPT( NP ) .EQ. 5 ) THEN\n CALL CKTIME( JDATE,JTIME,NP,RXNFLAG(NP) ) ! Rxnflag set to true iff ipt=5 and time, date within bounds\n IF ( IDATE( NP, DATENUM ) .NE. 1 ) RXNFLAG( NP ) = .FALSE.\n ELSE\n RXNFLAG( NP ) = .FALSE.\n END IF\n END DO\n\n#endif sens\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Top of loop over cells\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n#ifdef hrstats\n MNEBI = 1000\n MXEBI = 0\n SUMEBI = 0.0\n#endif\n\n NCELL = 1\n\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n\n DEG_LAY = L\n DEG_ROW = R\n DEG_COL = C\n\nc..reset CALL_IRR based on cell's values\n CALL_IRR = LFLAGIRR( C,R,L )\n\nc..Load ICs\n INV_DENS = 1.0 / DENS( C,R,L )\n DO SPC = 1, NUMB_MECH_SPC\n S = CGRID_INDEX( SPC )\n IF( CONVERT_CONC( SPC ) )THEN\n YC( SPC ) = REAL( MAX( CONCMIN,\n & INV_DENS*FORWARD_CONV( SPC )*CGRID( C,R,L,S )), 8 )\n ELSE\n YC( SPC ) = REAL( MAX( CGRID( C,R,L,S ), CONCMIN), 8 )\n END IF\n END DO\n\n IF(CALL_DEG)THEN ! INITIALIZE degradation routines\n\n YCCELL = 0.0D0\n DO S = 1, MODEL_SPECIES\n YCCELL( S ) = REAL( CGRID(C,R,L,S), 8)\n END DO\n CALL INIT_DEGRADE(YCCELL,TA(C,R,L),DENS(C,R,L),PRES(C,R,L),QV(C,R,L),RJIN(NCELL,:),\n & JDATE, JTIME)\n\n#ifdef isam\n CALL SA_DEGRADE_EXTRACT( C,R,L,DENS(C,R,L) )\n#endif\n END IF\n\nc..Set physical quantities\n TEMP( NCELL ) = REAL( TA( C,R,L ), 8)\n DENSITY( NCELL ) = REAL( DENS( C,R,L ), 8)\n! PRESCELL( NCELL ) = REAL( PRES( C,R,L ), 8)\n ATMPRES( NCELL ) = PA2ATM * REAL( PRES( C,R,L ), 8)\n H2O( NCELL ) = REAL( MAX ( MAOMV * QV( C,R,L ), 0.0 ), 8)\n SEAWATER (NCELL) = MAX ( 0.0D0, ( REAL( SEAWATER_ZONE( C,R ) - SEAICE (C,R) ,8) ) )\n\nc..Get rate constants\n LSUNLIGHT = .FALSE.\n FORALL( NPH = 1:NPHOTAB ) RJIN( NCELL,NPH ) = REAL( RJ( C,R,L,NPH ), 8)\n IF( MAXVAL(RJIN) .GT. 0.0D0 ) LSUNLIGHT = .TRUE.\n\n FORALL ( NPH = 1:NHETERO )HET( NCELL,NPH ) = REAL( KHETERO( NPH,C,R,L ), 8)\n\n CALL CALC_RCONST( TEMP, ATMPRES, H2O, RJIN, HET, LSUNLIGHT, SEAWATER, RKI_SAV, NCELL )\n FORALL( NPH = 1:NRXNS )RKI( NPH ) = RKI_SAV( NCELL, NPH )\n\n#ifdef isam\n#if defined(isam) || defined(verbose_isam)\nC...For diagnosing IRR calculations in log files\n IF( CHECK_ISAM )THEN\n WRITE_CELL = .FALSE.\n IF( C .EQ. MAX(1, NCOLS/2) .AND. R .EQ. MAX(1,NROWS/2) .AND. L .EQ. 1 )THEN\n WRITE_CELL = .TRUE.\n WRITE(LOGDEV,*)'WRITE_CELL = .TRUE.'\n ELSE\n WRITE_CELL = .FALSE.\n END IF\n END IF\n#endif\n CALL SA_IRR_EXTRACT( C, R, L, DENS( C,R,L ),YC )\n#endif\n\nc..Call EBI solver\n N_EBI_IT = 0\n\n CALL HRSOLVER( JDATE, JTIME, C, R, L )\n\n#ifdef hrstats\n MXEBI = MAX( MXEBI, N_EBI_IT )\n MNEBI = MIN( MNEBI, N_EBI_IT )\n SUMEBI = SUMEBI + REAL( N_EBI_IT )\n#endif\n\n\nc..Update concentration array\n DO SPC = 1, NUMB_MECH_SPC\n S = CGRID_INDEX( SPC )\n IF( CONVERT_CONC( SPC ) )THEN\n CGRID( C,R,L,S ) = REAL( REVERSE_CONV( SPC ) * DENS( C,R,L )\n & * MAX( YC( SPC ), DCONMIN), 4)\n ELSE\n CGRID( C,R,L,S ) = REAL( MAX( YC( SPC ), DCONMIN), 4)\n END IF\n END DO\n\n IF(CALL_DEG)THEN ! WTH: update based on degrade routines\n CALL FINAL_DEGRADE(YCCELL)\n UPDATE_DEGRADED: DO SPC = 1, N_REACT\n ISP = RXTANT_MAP( SPC )\n IF( ISP .LE. 0 )CYCLE UPDATE_DEGRADED\n DO S = 1, NUMB_MECH_SPC\n IF( CGRID_INDEX( S ) .EQ. ISP )CYCLE UPDATE_DEGRADED\n END DO\n CGRID(C,R,L,ISP) = REAL( YCCELL(ISP), 4)\n END DO UPDATE_DEGRADED\n#ifdef isam\n CALL SA_DEGRADE_UPLOAD( C,R,L,DENS(C,R,L) )\n#endif\n END IF\n\n#ifdef isam\n CALL SA_IRR_UPLOAD( C, R, L, DENS( C,R,L ), YC )\n#endif\n\nc..update irrout arrays if needed\n IF ( LFLAGIRR( C,R,L ) )CALL PA_IRR_CELLENDF( C, R, L )\n#ifdef sens\n DO RXN = 1, NRXNS\n SRK( RXN ) = RKI( RXN )\n IF ( HIGH ) THEN\n IF ( ORDER1 (RXN ) ) THEN\n SRK2( RXN ) = 0.0\n ELSE\n SRK2( RXN ) = RKI( RXN )\n END IF\n END IF\n END DO\n\n\n CALL SOLVE_DDM3D_CHEM( C,R,L,CHEMSTEP )\n#endif\n\n END DO\n END DO\n END DO\n\n! Update Aerosol Surface Area\n CALL HETCHEM_UPDATE_AERO( CGRID )\n\n#ifdef hrstats\n AVGEBI = SUMEBI / REAL( NCOLS * NROWS * NLAYS )\n WRITE( ISTFL, 94040 ) JDATE, JTIME, MNEBI, AVGEBI, MXEBI\n#endif\n\n RETURN\n\nC*********************** FORMAT STATEMENTS ****************************\n\n92000 FORMAT( / 10X, 'Euler Backward Iterative Parameters -'\n & / 10X, 'Chemistry Integration Time Interval (min):', F12.4,\n & / 10X, 'EBI maximum time step (min): ', F12.4 )\n\n92020 FORMAT( //10X, 'Species convergence tolerances:' )\n\n92040 FORMAT( 10X, A16, 2X, 1PE12.2 )\n\n92060 FORMAT( / 10X, 'Emissions Processing in Chemistry ...'\n & / 10X, 'Number of Emissions Layers: ', I3\n & / 10X, 'out of total Number of Model Layers:', I3 )\n\n\n94020 FORMAT( 'DATE TIME ', 'MNEBI AVEBI MXEBI' )\n\n94040 FORMAT( I7, 1X, I6, 1X, 3( I5, 1X ) )\n END\n" }, { "path": "CCTM/src/gas/ebi_cracmm2/hrg1.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\n SUBROUTINE HRG1( DTC )\n\nC**********************************************************************\nC\nC FUNCTION: To solve for the concentration of NO2, NO, O3, and O3P\nC algebraically.\nC\nC PRECONDITIONS: For the CRACMM2 mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Mar 15, 2024\nC\nC 18 Jul 14 B.Hutzell: revised to use real(8) variables\nC 01 Jun 18 B.Hutzell: replaced steady solution for O1D with backward Euler\nC approximation. To match conditions where the initial\nC concentration cannot be neglected.\nC**********************************************************************\n USE HRDATA\n\n IMPLICIT NONE\n\n\nC..INCLUDES: None\n\n\nC..ARGUMENTS:\n REAL( 8 ), INTENT( IN ) :: DTC ! Time step\n\n\nC..PARAMETERS: None\n\n\nC..EXTERNAL FUNCTIONS: NONE\n\n\nC..SAVED LOCAL VARIABLES:\n! CHARACTER( 16 ), SAVE :: PNAME = 'HRG1' ! Prgram Name\n\n\nC..SCRATCH LOCAL VARIABLES:\n REAL( 8 ) :: O1D_S ! sum of O1D loss frequencies\n REAL( 8 ) :: O3P_S ! stoich coeff for O3P from O1D\n\n\n\n REAL( 8 ) :: R1_2 ! production term for NO from NO2\n REAL( 8 ) :: R2_1 ! production term for NO2 from NO\n REAL( 8 ) :: P1, P2, P3, P12 ! production terms for NO, NO2, O3, & O3P\n REAL( 8 ) :: L1, L2, L3, L12 ! loss terms for NO, NO2, O3, O3P\n REAL( 8 ) :: L1_INV, L2_INV,\n & L3_INV, L12_INV ! inverse of loss terms\n\n REAL( 8 ) :: T1, T2, T3, T4, T5 ! intermerdiate terms\n REAL( 8 ) :: F1, F2, F3 ! intermerdiate terms\n REAL( 8 ) :: A, B, C ! coefficients for quadratic equation\n REAL( 8 ) :: Q, XX, S1, S2 ! intermerdiate terms\n\n REAL( 8 ) :: RK1, RK2, RK3 ! rate constants\n\n REAL( 8 ) :: PO3 ! temp variable for O3\n\nC**********************************************************************\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc O1D Section\nc 1) sum of the rate constants for all O1D loss reactions\nc 2) get fractional yield of O3P from O1D loss\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n O1D_S = RKI( 47 ) ! O1D=O3P\n & + RKI( 48 ) ! O1D=O3P\n & + RKI( 49 ) ! O1D=0.2000D+01*HO\n\n O3P_S = RKI( 47 ) ! O1D=O3P\n & + RKI( 48 ) ! O1D=O3P\n\n O3P_S = O3P_S / O1D_S\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc NO Section\nc R1_2 = production of NO from NO2 ( rates of form k[NO2][x] )\nc except NO2+NO3=NO+NO2 (it is treated as if it were NO3=NO )\nc P1 = remaining NO production terms\nc L1 = loss of NO (except rxns producing NO2 - they are in R2_1)\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n R1_2 = RKI( 4 ) ! NO2=NO+O3P\n & + RKI( 61 ) * YC ( O3P ) ! NO2+O3P=NO\n R1_2 = R1_2 * DTC\n\n\n P1 = RXRAT( 5 ) ! NO3=NO\n & + RXRAT( 7 ) ! HONO=NO+HO\n & + RXRAT( 68 ) ! NO2+NO3=NO+NO2\n P1 = YC0( NO ) + P1 * DTC\n\n\n L1 = RKI( 56 ) * YC ( HO ) ! NO+HO=HONO\n & + RKI( 58 ) * YC ( HO2 ) ! NO+HO2=HNO3\n & + 1.3000D-01 * RKI( 94 ) * YC ( ISOP ) ! NO+ISOP=0.1300D+...\n & + 6.5000D-02 * RKI( 185 ) * YC ( HC3P ) ! NO+HC3P=0.6600D+...\n & + 1.3600D-01 * RKI( 186 ) * YC ( HC5P ) ! NO+HC5P=0.2000D+...\n & + 3.0000D-02 * RKI( 188 ) * YC ( OLTP ) ! NO+OLTP=0.7800D+...\n & + 5.0000D-02 * RKI( 189 ) * YC ( OLIP ) ! NO+OLIP=0.8300D+...\n & + 2.0000D-03 * RKI( 190 ) * YC ( BENP ) ! NO+BENP=0.0000D+...\n & + 2.0000D-03 * RKI( 191 ) * YC ( TOLP ) ! NO+TOLP=0.2000D-...\n & + 2.0000D-03 * RKI( 192 ) * YC ( XYLP ) ! NO+XYLP=0.1000D-...\n & + 2.0000D-03 * RKI( 193 ) * YC ( EBZP ) ! NO+EBZP=0.2000D-...\n & + 2.3700D-01 * RKI( 194 ) * YC ( APIP1 ) ! NO+APIP1=0.2370D+...\n & + 1.8000D-01 * RKI( 195 ) * YC ( APIP2 ) ! NO+APIP2=0.8200D+...\n & + 1.8000D-01 * RKI( 197 ) * YC ( APINP2 ) ! NO+APINP2=...\n & + 2.3000D-01 * RKI( 198 ) * YC ( LIMP1 ) ! NO+LIMP1=0.2300D+...\n & + 2.3000D-01 * RKI( 199 ) * YC ( LIMP2 ) ! NO+LIMP2=0.7700D+...\n & + 2.3000D-01 * RKI( 201 ) * YC ( LIMNP2 ) ! NO+LIMNP2=...\n & + 3.6000D-01 * RKI( 202 ) * YC ( PINALP ) ! NO+PINALP=...\n & + 6.4000D-01 * RKI( 203 ) * YC ( LIMALP ) ! NO+LIMALP=...\n & + 3.2000D-02 * RKI( 398 ) * YC ( BDE13P ) ! NO+BDE13P=...\n & + 8.0000D-02 * RKI( 406 ) * YC ( FURANO2 ) ! NO+FURANO2=...\n & + 2.4700D-01 * RKI( 420 ) * YC ( SESQRO2 ) ! NO+SESQRO2=...\n & + 2.8000D-01 * RKI( 440 ) * YC ( VROCP6ALKP ) ! NO+VROCP6ALKP=...\n & + 2.8000D-01 * RKI( 441 ) * YC ( VROCP5ALKP ) ! NO+VROCP5ALKP=...\n & + 2.8000D-01 * RKI( 442 ) * YC ( VROCP4ALKP ) ! NO+VROCP4ALKP=...\n & + 2.8000D-01 * RKI( 443 ) * YC ( VROCP3ALKP ) ! NO+VROCP3ALKP=...\n & + 2.8000D-01 * RKI( 444 ) * YC ( VROCP2ALKP ) ! NO+VROCP2ALKP=...\n & + 2.8000D-01 * RKI( 445 ) * YC ( VROCP1ALKP ) ! NO+VROCP1ALKP=...\n & + 2.6000D-01 * RKI( 446 ) * YC ( HC10P ) ! NO+HC10P=0.7400D+...\n & + 1.4000D-01 * RKI( 468 ) * YC ( VROCP6ALKP2 ) ! NO+VROCP6ALKP2=...\n & + 1.4000D-01 * RKI( 469 ) * YC ( VROCP5ALKP2 ) ! NO+VROCP5ALKP2=...\n & + 1.4000D-01 * RKI( 470 ) * YC ( VROCP4ALKP2 ) ! NO+VROCP4ALKP2=...\n & + 1.4000D-01 * RKI( 471 ) * YC ( VROCP3ALKP2 ) ! NO+VROCP3ALKP2=...\n & + 1.4000D-01 * RKI( 472 ) * YC ( VROCP2ALKP2 ) ! NO+VROCP2ALKP2=...\n & + 1.4000D-01 * RKI( 473 ) * YC ( VROCP1ALKP2 ) ! NO+VROCP1ALKP2=...\n & + 1.2000D-01 * RKI( 474 ) * YC ( HC10P2 ) ! NO+HC10P2=...\n & + 2.0000D-03 * RKI( 491 ) * YC ( VROCP6AROP ) ! NO+VROCP6AROP=...\n & + 2.0000D-03 * RKI( 497 ) * YC ( VROCP5AROP ) ! NO+VROCP5AROP=...\n & + 2.0000D-03 * RKI( 503 ) * YC ( NAPHP ) ! NO+NAPHP=0.5950D-...\n L1 = 1.0D0 + L1 * DTC\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc NO2 Section\nc R2_1 = production of NO2 from NO ( rates of form k[NO][x] )\nc a) NO+O3=NO2 not included\nc b) NO+NO3=2NO2 ( 1/2 of NO2 formation rate included )\nc c) NO3+NO2=NO+NO2 is not included for NO2\nc P2 = remaining NO2 production terms \nc a) NO+O3=NO2 not included\nc b) NO+NO3=2NO2 (1/2 of NO2 formation rate included )\nc L2 = loss of NO2 (except rxns producing NO2 - they are in R1_2)\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n R2_1 = RKI( 55 ) * YC ( O3P ) ! NO+O3P=NO2\n & + RKI( 57 ) * YC ( HO2 ) ! NO+HO2=NO2+HO\n & + 2.0000D+00 * RKI( 59 ) * YC ( NO ) ! NO+NO=0.2000D+01*NO2\n & + RKI( 67 ) * YC ( NO3 ) ! NO+NO3=0.2000D+...\n & + 8.7000D-01 * RKI( 94 ) * YC ( ISOP ) ! NO+ISOP=0.8700D+...\n & + RKI( 98 ) * YC ( INO2 ) ! NO+INO2=0.1300D+...\n & + RKI( 183 ) * YC ( MO2 ) ! NO+MO2=NO2+HO2+HCHO\n & + RKI( 184 ) * YC ( ETHP ) ! NO+ETHP=NO2+HO2+ACD\n & + 9.3500D-01 * RKI( 185 ) * YC ( HC3P ) ! NO+HC3P=0.9350D+...\n & + 8.6400D-01 * RKI( 186 ) * YC ( HC5P ) ! NO+HC5P=0.8640D+...\n & + RKI( 187 ) * YC ( ETEP ) ! NO+ETEP=NO2+HO2+...\n & + 9.7000D-01 * RKI( 188 ) * YC ( OLTP ) ! NO+OLTP=0.9700D+...\n & + 9.5000D-01 * RKI( 189 ) * YC ( OLIP ) ! NO+OLIP=0.9500D+...\n & + 9.9800D-01 * RKI( 190 ) * YC ( BENP ) ! NO+BENP=0.9980D+...\n & + 9.9800D-01 * RKI( 191 ) * YC ( TOLP ) ! NO+TOLP=0.9980D+...\n & + 9.9800D-01 * RKI( 192 ) * YC ( XYLP ) ! NO+XYLP=0.9980D+...\n & + 9.9800D-01 * RKI( 193 ) * YC ( EBZP ) ! NO+EBZP=0.9980D+...\n & + 7.6300D-01 * RKI( 194 ) * YC ( APIP1 ) ! NO+APIP1=0.7630D+...\n & + 8.2000D-01 * RKI( 195 ) * YC ( APIP2 ) ! NO+APIP2=0.8200D+...\n & + RKI( 196 ) * YC ( APINP1 ) ! NO+APINP1=...\n & + 8.2000D-01 * RKI( 197 ) * YC ( APINP2 ) ! NO+APINP2=...\n & + 7.7000D-01 * RKI( 198 ) * YC ( LIMP1 ) ! NO+LIMP1=0.7700D+...\n & + 7.7000D-01 * RKI( 199 ) * YC ( LIMP2 ) ! NO+LIMP2=0.7700D+...\n & + RKI( 200 ) * YC ( LIMNP1 ) ! NO+LIMNP1=...\n & + 7.7000D-01 * RKI( 201 ) * YC ( LIMNP2 ) ! NO+LIMNP2=...\n & + 6.4000D-01 * RKI( 202 ) * YC ( PINALP ) ! NO+PINALP=...\n & + 3.6000D-01 * RKI( 203 ) * YC ( LIMALP ) ! NO+LIMALP=...\n & + RKI( 204 ) * YC ( ACO3 ) ! NO+ACO3=NO2+MO2\n & + RKI( 205 ) * YC ( RCO3 ) ! NO+RCO3=NO2+ETHP\n & + RKI( 206 ) * YC ( ACTP ) ! NO+ACTP=NO2+ACO3+...\n & + RKI( 207 ) * YC ( MEKP ) ! NO+MEKP=NO2+...\n & + RKI( 208 ) * YC ( KETP ) ! NO+KETP=NO2+...\n & + RKI( 209 ) * YC ( MACP ) ! NO+MACP=NO2+...\n & + RKI( 210 ) * YC ( MCP ) ! NO+MCP=NO2+...\n & + RKI( 211 ) * YC ( MVKP ) ! NO+MVKP=NO2+...\n & + RKI( 212 ) * YC ( UALP ) ! NO+UALP=NO2+HO2+...\n & + RKI( 213 ) * YC ( BALP ) ! NO+BALP=NO2+BAL1\n & + RKI( 214 ) * YC ( BAL1 ) ! NO+BAL1=NO2+BAL2\n & + RKI( 215 ) * YC ( ADDC ) ! NO+ADDC=NO2+HO2+...\n & + RKI( 216 ) * YC ( MCTP ) ! NO+MCTP=NO2+MCTO\n & + RKI( 217 ) * YC ( ORAP ) ! NO+ORAP=NO2+GLY+HO2\n & + RKI( 218 ) * YC ( OLNN ) ! NO+OLNN=NO2+HO2+ONIT\n & + RKI( 219 ) * YC ( OLND ) ! NO+OLND=0.2000D+...\n & + RKI( 220 ) * YC ( ADCN ) ! NO+ADCN=0.2000D+...\n & + RKI( 221 ) * YC ( XO2 ) ! NO+XO2=NO2\n & + 9.6800D-01 * RKI( 398 ) * YC ( BDE13P ) ! NO+BDE13P=...\n & + 9.2000D-01 * RKI( 406 ) * YC ( FURANO2 ) ! NO+FURANO2=...\n & + RKI( 414 ) * YC ( SESQNRO2 ) ! NO+SESQNRO2=...\n & + 7.5300D-01 * RKI( 420 ) * YC ( SESQRO2 ) ! NO+SESQRO2=...\n & + 7.2000D-01 * RKI( 440 ) * YC ( VROCP6ALKP ) ! NO+VROCP6ALKP=...\n & + 7.2000D-01 * RKI( 441 ) * YC ( VROCP5ALKP ) ! NO+VROCP5ALKP=...\n & + 7.2000D-01 * RKI( 442 ) * YC ( VROCP4ALKP ) ! NO+VROCP4ALKP=...\n & + 7.2000D-01 * RKI( 443 ) * YC ( VROCP3ALKP ) ! NO+VROCP3ALKP=...\n & + 7.2000D-01 * RKI( 444 ) * YC ( VROCP2ALKP ) ! NO+VROCP2ALKP=...\n & + 7.2000D-01 * RKI( 445 ) * YC ( VROCP1ALKP ) ! NO+VROCP1ALKP=...\n & + 7.4000D-01 * RKI( 446 ) * YC ( HC10P ) ! NO+HC10P=0.7400D+...\n & + 8.6000D-01 * RKI( 468 ) * YC ( VROCP6ALKP2 ) ! NO+VROCP6ALKP2=...\n & + 8.6000D-01 * RKI( 469 ) * YC ( VROCP5ALKP2 ) ! NO+VROCP5ALKP2=...\n & + 8.6000D-01 * RKI( 470 ) * YC ( VROCP4ALKP2 ) ! NO+VROCP4ALKP2=...\n & + 8.6000D-01 * RKI( 471 ) * YC ( VROCP3ALKP2 ) ! NO+VROCP3ALKP2=...\n & + 8.6000D-01 * RKI( 472 ) * YC ( VROCP2ALKP2 ) ! NO+VROCP2ALKP2=...\n & + 8.6000D-01 * RKI( 473 ) * YC ( VROCP1ALKP2 ) ! NO+VROCP1ALKP2=...\n & + 8.8000D-01 * RKI( 474 ) * YC ( HC10P2 ) ! NO+HC10P2=...\n & + 9.9800D-01 * RKI( 491 ) * YC ( VROCP6AROP ) ! NO+VROCP6AROP=...\n & + 9.9800D-01 * RKI( 497 ) * YC ( VROCP5AROP ) ! NO+VROCP5AROP=...\n & + 9.9800D-01 * RKI( 503 ) * YC ( NAPHP ) ! NO+NAPHP=0.9980D+...\n & + RKI( 528 ) * YC ( STYP ) ! NO+STYP=NO2+HO2+...\n R2_1 = R2_1 * DTC\n\n\n P2 = RXRAT( 6 ) ! NO3=NO2+O3P\n & + RXRAT( 8 ) ! HNO3=NO2+HO\n & + 8.0000D-01 * RXRAT( 9 ) ! HNO4=0.8000D+00*NO2+...\n & + RXRAT( 36 ) ! ONIT=NO2+HO2+0.2000D+...\n & + RXRAT( 37 ) ! PAN=NO2+ACO3\n & + RXRAT( 39 ) ! TRPN=NO2+0.6700D+...\n & + RXRAT( 40 ) ! HONIT=NO2+HKET\n & + RXRAT( 60 ) ! HONO+HO=NO2\n & + RXRAT( 65 ) ! NO3+HO=NO2+HO2\n & + 7.0000D-01 * RXRAT( 66 ) ! NO3+HO2=0.7000D+...\n & + RXRAT( 67 ) ! NO+NO3=0.2000D+01*NO2\n & + 2.0000D+00 * RXRAT( 69 ) ! NO3+NO3=0.2000D+01*NO2\n & + RXRAT( 71 ) ! N2O5=NO2+NO3\n & + RXRAT( 74 ) ! HNO4=NO2+HO2\n & + RXRAT( 75 ) ! HNO4+HO=NO2\n & + 4.0000D-01 * RXRAT( 91 ) ! ISO+NO3=0.4000D+...\n & + 3.0000D-01 * RXRAT( 98 ) ! NO+INO2=0.1300D+...\n & + 6.5000D-01 * RXRAT( 99 ) ! ISON+HO=0.6500D+...\n & + RXRAT( 100 ) ! HO+INALD=NO2+CO+...\n & + RXRAT( 140 ) ! MPAN+HO=NO2+HKET\n & + RXRAT( 141 ) ! ONIT+HO=NO2+HC3P\n & + 6.7000D-01 * RXRAT( 142 ) ! TRPN+HO=0.6700D+...\n & + 6.7000D-01 * RXRAT( 150 ) ! TRPN+O3=0.6700D+...\n & + 6.7000D-01 * RXRAT( 163 ) ! TRPN+NO3=0.6700D+...\n & + 6.8000D-01 * RXRAT( 167 ) ! MACR+NO3=0.6800D+...\n & + RXRAT( 174 ) ! MPAN+NO3=NO2+MACP\n & + RXRAT( 178 ) ! PAN=NO2+ACO3\n & + RXRAT( 180 ) ! PPN=NO2+RCO3\n & + RXRAT( 182 ) ! MPAN=NO2+MACP\n & + 6.9550D-01 * RXRAT( 196 ) ! NO+APINP1=0.1696D+...\n & + 3.6000D-01 * RXRAT( 200 ) ! NO+LIMNP1=0.1360D+...\n & + RXRAT( 219 ) ! NO+OLND=0.2000D+...\n & + RXRAT( 220 ) ! NO+ADCN=0.2000D+...\n & + 5.3900D-01 * RXRAT( 238 ) ! APINP1+HO2=0.5390D+...\n & + 2.3000D-01 * RXRAT( 242 ) ! LIMNP1+HO2=0.2300D+...\n & + 6.5900D-01 * RXRAT( 277 ) ! APINP1+MO2=0.6590D+...\n & + 7.5000D-01 * RXRAT( 278 ) ! APINP2+MO2=0.7500D+...\n & + 3.1000D-01 * RXRAT( 281 ) ! LIMNP1+MO2=0.3100D+...\n & + 7.5000D-01 * RXRAT( 282 ) ! LIMNP2+MO2=0.7500D+...\n & + RXRAT( 289 ) ! MCP+MO2=NO2+HO2+...\n & + 5.0000D-01 * RXRAT( 298 ) ! OLND+MO2=0.5000D+...\n & + 7.0000D-01 * RXRAT( 299 ) ! ADCN+MO2=0.7000D+...\n & + 8.2500D-01 * RXRAT( 314 ) ! APINP1+ACO3=0.8250D+...\n & + 5.0000D-01 * RXRAT( 315 ) ! APINP2+ACO3=0.5000D+...\n & + 4.6000D-01 * RXRAT( 318 ) ! LIMNP1+ACO3=0.4600D+...\n & + 5.0000D-01 * RXRAT( 319 ) ! LIMNP2+ACO3=0.5000D+...\n & + RXRAT( 326 ) ! MCP+ACO3=NO2+0.5000D+...\n & + RXRAT( 335 ) ! OLND+ACO3=NO2+0.5000D+...\n & + 7.0000D-01 * RXRAT( 336 ) ! ADCN+ACO3=0.7000D+...\n & + RXRAT( 339 ) ! MO2+NO3=NO2+HCHO+HO2\n & + RXRAT( 340 ) ! ETHP+NO3=NO2+HO2+ACD\n & + RXRAT( 341 ) ! HC3P+NO3=NO2+0.1400D+...\n & + RXRAT( 342 ) ! HC5P+NO3=NO2+0.5500D-...\n & + RXRAT( 343 ) ! ETEP+NO3=NO2+HO2+...\n & + RXRAT( 344 ) ! OLTP+NO3=NO2+0.7900D+...\n & + RXRAT( 345 ) ! OLIP+NO3=NO2+0.7200D+...\n & + RXRAT( 346 ) ! BENP+NO3=NO2+HO2+...\n & + RXRAT( 347 ) ! TOLP+NO3=NO2+0.9146D+...\n & + RXRAT( 348 ) ! XYLP+NO3=NO2+0.9518D+...\n & + RXRAT( 349 ) ! EBZP+NO3=NO2+0.9146D+...\n & + RXRAT( 350 ) ! ISOP+NO3=NO2+HO2+...\n & + RXRAT( 351 ) ! APIP1+NO3=NO2+HO2+...\n & + RXRAT( 352 ) ! LIMP1+NO3=NO2+HO2+...\n & + 1.8250D+00 * RXRAT( 353 ) ! APINP1+NO3=0.1825D+...\n & + 1.4600D+00 * RXRAT( 354 ) ! LIMNP1+NO3=0.1460D+...\n & + RXRAT( 355 ) ! ACO3+NO3=NO2+MO2\n & + RXRAT( 356 ) ! RCO3+NO3=NO2+ETHP\n & + RXRAT( 357 ) ! ACTP+NO3=NO2+ACO3+HCHO\n & + RXRAT( 358 ) ! MEKP+NO3=NO2+0.6700D+...\n & + RXRAT( 359 ) ! KETP+NO3=NO2+HO2+DCB1\n & + RXRAT( 360 ) ! MACP+NO3=NO2+0.5380D+...\n & + RXRAT( 361 ) ! MCP+NO3=NO2+HO2+HCHO+HKET\n & + RXRAT( 362 ) ! MVKP+NO3=NO2+0.7000D+...\n & + RXRAT( 363 ) ! UALP+NO3=NO2+HO2+...\n & + RXRAT( 364 ) ! BALP+NO3=NO2+BAL1\n & + RXRAT( 365 ) ! BAL1+NO3=NO2+BAL2\n & + RXRAT( 366 ) ! ADDC+NO3=NO2+HO2+...\n & + RXRAT( 367 ) ! MCTP+NO3=NO2+MCTO\n & + RXRAT( 368 ) ! ORAP+NO3=NO2+GLY+HO2\n & + RXRAT( 369 ) ! OLNN+NO3=NO2+HO2+ONIT\n & + 2.0000D+00 * RXRAT( 370 ) ! OLND+NO3=0.2000D+...\n & + 2.0000D+00 * RXRAT( 371 ) ! ADCN+NO3=0.2000D+...\n & + 5.0000D-01 * RXRAT( 373 ) ! OLNN+OLND=0.5000D+...\n & + RXRAT( 374 ) ! OLND+OLND=NO2+0.5040D+...\n & + RXRAT( 375 ) ! XO2+NO3=NO2\n & + 4.8000D-01 * RXRAT( 384 ) ! APINP2+APIP1=0.4800D+...\n & + 4.8000D-01 * RXRAT( 385 ) ! APINP2+LIMP1=0.4800D+...\n & + 4.8000D-01 * RXRAT( 386 ) ! APINP2+ISOP=0.4800D+...\n & + 4.8000D-01 * RXRAT( 387 ) ! LIMNP2+APIP1=0.4800D+...\n & + 4.8000D-01 * RXRAT( 388 ) ! LIMNP2+LIMP1=0.4800D+...\n & + 4.8000D-01 * RXRAT( 389 ) ! LIMNP2+ISOP=0.4800D+...\n & + 6.8000D-01 * RXRAT( 395 ) ! ACRO+NO3=0.6800D+...\n & + RXRAT( 399 ) ! BDE13P+NO3=NO2+HO2+...\n & + RXRAT( 410 ) ! FURAN+NO3=NO2+0.8000D+...\n & + RXRAT( 414 ) ! NO+SESQNRO2=0.2000D+...\n & + 2.0000D+00 * RXRAT( 415 ) ! SESQNRO2+NO3=0.2000D+...\n & + RXRAT( 447 ) ! VROCP6ALKP+NO3=NO2+...\n & + RXRAT( 448 ) ! VROCP5ALKP+NO3=NO2+...\n & + RXRAT( 449 ) ! VROCP4ALKP+NO3=NO2+...\n & + RXRAT( 450 ) ! VROCP3ALKP+NO3=NO2+...\n & + RXRAT( 451 ) ! VROCP2ALKP+NO3=NO2+...\n & + RXRAT( 452 ) ! VROCP1ALKP+NO3=NO2+...\n & + RXRAT( 453 ) ! HC10P+NO3=NO2+HC10P2\n & + RXRAT( 475 ) ! VROCP6ALKP2+NO3=NO2+...\n & + RXRAT( 476 ) ! VROCP5ALKP2+NO3=NO2+...\n & + RXRAT( 477 ) ! VROCP4ALKP2+NO3=NO2+...\n & + RXRAT( 478 ) ! VROCP3ALKP2+NO3=NO2+...\n & + RXRAT( 479 ) ! VROCP2ALKP2+NO3=NO2+...\n & + RXRAT( 480 ) ! VROCP1ALKP2+NO3=NO2+...\n & + RXRAT( 481 ) ! HC10P2+NO3=NO2+KET+HO2\n & + RXRAT( 492 ) ! VROCP6AROP+NO3=NO2+...\n & + RXRAT( 498 ) ! VROCP5AROP+NO3=NO2+...\n & + RXRAT( 504 ) ! NAPHP+NO3=NO2+0.9405D+...\n & + RXRAT( 529 ) ! STYP+NO3=NO2+HO2+HCHO+...\n P2 = YC0( NO2 ) + P2 * DTC\n\n\n L2 = RKI( 44 ) * YC ( O3 ) ! NO2+O3=NO3\n & + RKI( 62 ) * YC ( O3P ) ! NO2+O3P=NO3\n & + RKI( 63 ) * YC ( HO ) ! NO2+HO=HNO3\n & + RKI( 70 ) * YC ( NO3 ) ! NO2+NO3=N2O5\n & + RKI( 73 ) * YC ( HO2 ) ! NO2+HO2=HNO4\n & + RKI( 177 ) * YC ( ACO3 ) ! NO2+ACO3=PAN\n & + RKI( 179 ) * YC ( RCO3 ) ! NO2+RCO3=PPN\n & + RKI( 181 ) * YC ( MACP ) ! NO2+MACP=MPAN\n & + RKI( 222 ) * YC ( BAL2 ) ! NO2+BAL2=ONIT\n & + RKI( 223 ) * YC ( CHO ) ! NO2+CHO=ONIT\n & + RKI( 224 ) * YC ( MCTO ) ! NO2+MCTO=ONIT\n & + RKI( 424 ) ! NO2=0.5000D+...\n L2 = 1.0D0 + L2 * DTC\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc O3 Section\nc P3 = production of O3 except O+O2=O3\nc L3 = loss terms for O3 except NO+O3=NO2\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n P3 = YC0( O3 ) \n\n\n L3 = RKI( 1 ) ! O3=O3P\n & + RKI( 2 ) ! O3=O1D\n & + RKI( 41 ) * YC ( HO ) ! O3+HO=HO2\n & + RKI( 42 ) * YC ( HO2 ) ! O3+HO2=HO\n & + RKI( 44 ) * YC ( NO2 ) ! O3+NO2=NO3\n & + RKI( 46 ) * YC ( O3P ) ! O3+O3P=\n & + RKI( 90 ) * YC ( ISO ) ! O3+ISO=0.2500D+...\n & + RKI( 144 ) * YC ( ETE ) ! O3+ETE=0.8000D-...\n & + RKI( 145 ) * YC ( OLT ) ! O3+OLT=0.2200D+...\n & + RKI( 146 ) * YC ( OLI ) ! O3+OLI=0.4600D+...\n & + RKI( 147 ) * YC ( API ) ! O3+API=0.6055D+...\n & + RKI( 148 ) * YC ( LIM ) ! O3+LIM=0.6600D+...\n & + RKI( 149 ) * YC ( LIMAL ) ! O3+LIMAL=0.9000D-...\n & + RKI( 150 ) * YC ( TRPN ) ! O3+TRPN=0.3300D+...\n & + RKI( 151 ) * YC ( MACR ) ! O3+MACR=0.1900D+...\n & + RKI( 152 ) * YC ( MVK ) ! O3+MVK=0.1600D+...\n & + RKI( 153 ) * YC ( UALD ) ! O3+UALD=0.1000D+...\n & + RKI( 154 ) * YC ( DCB1 ) ! O3+DCB1=0.5000D-...\n & + RKI( 155 ) * YC ( DCB2 ) ! O3+DCB2=0.5000D-...\n & + RKI( 156 ) * YC ( DCB3 ) ! O3+DCB3=0.5000D-...\n & + RKI( 157 ) * YC ( MCTO ) ! O3+MCTO=MCTP\n & + RKI( 394 ) * YC ( ACRO ) ! O3+ACRO=0.8400D+...\n & + RKI( 403 ) * YC ( BDE13 ) ! O3+BDE13=0.6200D+...\n & + RKI( 409 ) * YC ( FURAN ) ! O3+FURAN=0.2000D-...\n & + RKI( 416 ) * YC ( SESQ ) ! O3+SESQ=0.9820D+...\n & + RKI( 427 ) ! O3=\n L3 = 1.0D0 + L3 * DTC\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc O3P Section \nc P12 = production of O3P except NO2+hv=O3P (J1)\nc L12 = loss terms\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n P12 = RXRAT( 1 ) ! O3=O3P\n & + O3P_S * RXRAT( 2 ) ! O3=O1D\n & + RXRAT( 6 ) ! NO3=O3P+NO2\n P12 = YC0( O3P ) + P12 * DTC\n\n\n L12 = RKI( 45 ) ! O3P=O3\n & + RKI( 46 ) * YC ( O3 ) ! O3P+O3=\n & + RKI( 55 ) * YC ( NO ) ! O3P+NO=NO2\n & + RKI( 61 ) * YC ( NO2 ) ! O3P+NO2=NO\n & + RKI( 62 ) * YC ( NO2 ) ! O3P+NO2=NO3\n L12 = 1.0D0 + L12 * DTC\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Solution section\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\nc..compute reciprocal of loss terms\n L1_INV = 1.0D0 / L1\n L2_INV = 1.0D0 / L2\n L3_INV = 1.0D0 / L3\n L12_INV = 1.0D0 / L12\n\nc..compute specific k*delta t terms\n RK1 = RKI( 4 ) * DTC ! J1 (NO2+hv=NO+O3P)\n RK2 = RKI( 45 ) * DTC ! J2 (O3P+O2=O3)\n RK3 = RKI( 43 ) * DTC ! k1_3 (NO+O3=NO2)\n\nc..compute terms that are used to calulate a,b & c\n T1 = RK1 * L2_INV ! J1 / ( 1.0 + Lno2 * dt )\n T2 = R1_2 * L2_INV ! r1,2 / ( 1.0 + Lno2 * dt)\n T3 = R2_1 * L1_INV ! r2,1 / ( 1.0 + Lno * dt)\n T4 = RK2 * L12_INV ! J2 / ( 1.0 + Lo3p * dt )\n T5 = T3 * P1 - T2 * P2 ! T3 * Pno - T2 * Pno2\n\n F1 = 1.0D0 + T2 + T3 ! factor in calculating a & b\n F2 = T1 * T4 ! factor in calculating a & b\n F3 = L3 * L1 + RK3 * P1 ! (1 + Lo3 * dt) (1 + lno * dt )\n ! + k1,3 * dt * Pno\n\n PO3 = P3 + P12 * T4\n\n A = RK3 * ( F1 - F2 )\n\n B = F1 * F3 + RK3 * ( F2 * ( P2 - P1 ) + PO3 + T5 )\n\n C = RK3 * P1 * ( PO3 + P2 * F2 ) + F3 * T5\n\n Q = -0.5D0 * ( B + SIGN( 1.0D0, B ) * SQRT( B * B - 4.0D0 * A * C ) )\n\n XX = MAX( Q / A , C / Q )\n\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Species solutions\nc [NO] = ( P1 + x ) / ( 1 + L1 )\nc [NO2] = ( P2 - x ) / ( 1 + L2 )\nc [O3 ] = ( P3 + Ko3p->O3 ) / (1 + K1,3 * [NO] + L3 )\nc [O3P] = ( P12 + J1 * [NO2] ) / ( 1 + L12 )\nc [O1D] = ( yc0(o1d) + Ko3->o1d * [O3] *dtc) / ( 1 + O1D_S*dtc )\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n YCP( NO ) = MAX( 0.0D0, ( P1 + XX ) * L1_INV )\n\n YCP( NO2 ) = MAX( 0.0D0, ( P2 - XX ) * L2_INV )\n\n S1 = P12 + RK1 * YCP( NO2 )\n\n S2 = T4 * S1\n\n YCP( O3 ) = ( P3 + S2 ) / ( L3 + RK3 * YCP( NO ) )\n\n YCP( O3P ) = S1 * L12_INV\n\n YCP( O1D ) = ( YC0( O1D ) + RKI( 2 ) * YCP( O3 ) * DTC ) \n & / ( 1.0D0 + O1D_S * DTC )\n\n RETURN\n\n END\n\n\n" }, { "path": "CCTM/src/gas/ebi_cracmm2/hrg2.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\n SUBROUTINE HRG2( DTC )\nC**********************************************************************\nC\nC FUNCTION: To solve for the concentration of HO, HO2, HONO, and\nC HNO4 alebraically.\nC\nC PRECONDITIONS: For the CRACMM2 mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Mar 15, 2024\nC\nC 18 Jul 14 B.Hutzell: revised to use real(8) variables\nC**********************************************************************\n USE HRDATA\n\n IMPLICIT NONE\n\n\nC..INCLUDES: None\n\n\nC..ARGUMENTS:\n REAL( 8 ), INTENT( IN ) :: DTC ! Time step\n\nC..PARAMETERS: None\n\n\nC..EXTERNAL FUNCTIONS: NONE\n\n\nC..SAVED LOCAL VARIABLES:\n! CHARACTER( 16 ), SAVE :: PNAME = 'HRG2' ! Program name\n\n\nC..SCRATCH LOCAL VARIABLES:\n REAL( 8 ) :: O1D_S ! sum of O1D loss frequencies\n REAL( 8 ) :: OH_S ! stoich coeff for OH from O1D+H2O or H2\n REAL( 8 ) :: HO2_S ! stoich coeff for HO2 from O1D+H2 rxn\n REAL( 8 ) :: XOH_S ! stoich coeff for OH & HONO from NO2EX loss rxn\n REAL( 8 ) :: R4_19 ! production of OH from HONO\n REAL( 8 ) :: R19_4 ! production of HONO from OH\n REAL( 8 ) :: R4_5 ! production of OH from HO2\n REAL( 8 ) :: R5_4 ! production of HO2 from OH\n REAL( 8 ) :: R5_21 ! production of HO2 from HNO4\n REAL( 8 ) :: R21_5 ! production of HNO4 from HO2\n REAL( 8 ) :: P4, P5, P19, P21 ! species production form other paths\n REAL( 8 ) :: L4, L5, L19, L21 ! species loss terms\n\n REAL( 8 ) :: A, B, C ! coeffs of quadratic eq. for HO2\n REAL( 8 ) :: Q ! intermediate term\n\n REAL( 8 ) :: T1, T2, T3 ! intermediate terms\n\n REAL( 8 ) :: L21_INV ! reciprocal of HNO4 loss term\n\nC**********************************************************************\n\n\nc..stoichiometric coefficient for production of HOX from O3 via O1D\n O1D_S = RKI( 47 ) ! O1D=O3P\n & + RKI( 48 ) ! O1D=O3P\n & + RKI( 49 ) ! O1D=0.2000D+01*HO\n\n OH_S = 2.0000D+00 * RKI( 49 ) ! O1D=0.2000D+01*HO\n\n OH_S = OH_S / O1D_S\n\n\nc..Production of HO from HO2 (r4,5 terms )\n R4_5 = RKI( 42 ) * YC ( O3 ) ! HO2+O3=HO\n & + RKI( 57 ) * YC ( NO ) ! HO2+NO=HO+NO2\n & + 7.0000D-01 * RKI( 66 ) * YC ( NO3 ) ! HO2+NO3=0.7000D+...\n & + 5.0000D-01 * RKI( 93 ) * YC ( ISOP ) ! HO2+ISOP=0.5000D+...\n & + 4.5000D-01 * RKI( 97 ) * YC ( INO2 ) ! HO2+INO2=0.4500D+...\n & + 2.3800D-01 * RKI( 236 ) * YC ( APIP1 ) ! HO2+APIP1=...\n & + 6.1950D-01 * RKI( 238 ) * YC ( APINP1 ) ! HO2+APINP1=...\n & + 1.0000D-01 * RKI( 240 ) * YC ( LIMP1 ) ! HO2+LIMP1=...\n & + 5.0000D-01 * RKI( 242 ) * YC ( LIMNP1 ) ! HO2+LIMNP1=...\n & + 2.5000D-01 * RKI( 244 ) * YC ( PINALP ) ! HO2+PINALP=...\n & + 1.0000D-01 * RKI( 245 ) * YC ( LIMALP ) ! HO2+LIMALP=...\n & + 4.4000D-01 * RKI( 246 ) * YC ( ACO3 ) ! HO2+ACO3=0.4400D+...\n & + 4.4000D-01 * RKI( 247 ) * YC ( RCO3 ) ! HO2+RCO3=0.4400D+...\n & + 1.5000D-01 * RKI( 248 ) * YC ( ACTP ) ! HO2+ACTP=0.1500D+...\n & + 4.0000D-01 * RKI( 407 ) * YC ( FURANO2 ) ! HO2+FURANO2=...\n\n R4_5 = R4_5 * DTC\n\nc..Production of HO from HONO (r4,19 terms )\n R4_19 = RKI( 7 ) ! HONO=HO+NO\n\n R4_19 = R4_19 * DTC\n\nc..Remaining HO production\n P4 = 2.0000D+00 * RXRAT( 3 ) ! H2O2=0.2000D+01*HO\n & + RXRAT( 8 ) ! HNO3=HO+NO2\n & + 2.0000D-01 * RXRAT( 9 ) ! HNO4=0.2000D+00*HO+0.8000D+...\n & + 3.4000D-01 * RXRAT( 22 ) ! MACR=0.3400D+00*HO+0.6600D+...\n & + RXRAT( 31 ) ! OP1=HO+HO2+HCHO\n & + RXRAT( 32 ) ! OP2=HO+HO2+ALD\n & + RXRAT( 33 ) ! OPB=HO+HO2+ALD\n & + RXRAT( 34 ) ! OP3=HO+HO2+ALD\n & + RXRAT( 35 ) ! PAA=HO+MO2\n & + OH_S * RXRAT( 2 ) ! O1D=0.2000D+01*HO\n & + 2.5000D-01 * RXRAT( 90 ) ! ISO+O3=0.2500D+00*HO+...\n & + RXRAT( 96 ) ! ISHP+HO=0.2000D+01*HO+...\n & + 8.0000D-02 * RXRAT( 144 ) ! ETE+O3=0.8000D-01*HO+...\n & + 2.2000D-01 * RXRAT( 145 ) ! OLT+O3=0.2200D+00*HO+...\n & + 4.6000D-01 * RXRAT( 146 ) ! OLI+O3=0.4600D+00*HO+...\n & + 6.0550D-01 * RXRAT( 147 ) ! API+O3=0.6055D+00*HO+...\n & + 6.6000D-01 * RXRAT( 148 ) ! LIM+O3=0.6600D+00*HO+...\n & + 9.0000D-02 * RXRAT( 149 ) ! LIMAL+O3=0.9000D-01*HO+ALD+...\n & + 1.9000D-01 * RXRAT( 151 ) ! MACR+O3=0.1900D+00*HO+...\n & + 1.6000D-01 * RXRAT( 152 ) ! MVK+O3=0.1600D+00*HO+...\n & + 1.0000D-01 * RXRAT( 153 ) ! UALD+O3=0.1000D+00*HO+...\n & + 5.0000D-02 * RXRAT( 154 ) ! DCB1+O3=0.5000D-01*HO+HO2+...\n & + 5.0000D-02 * RXRAT( 155 ) ! DCB2+O3=0.5000D-01*HO+HO2+...\n & + 5.0000D-02 * RXRAT( 156 ) ! DCB3+O3=0.5000D-01*HO+HO2+...\n & + 8.2000D-01 * RXRAT( 195 ) ! APIP2+NO=0.8200D+00*HO+...\n & + 8.2000D-01 * RXRAT( 197 ) ! APINP2+NO=0.8200D+00*HO+...\n & + 7.7000D-01 * RXRAT( 199 ) ! LIMP2+NO=0.7700D+00*HO+...\n & + 7.7000D-01 * RXRAT( 201 ) ! LIMNP2+NO=0.7700D+00*HO+...\n & + 5.0000D-01 * RXRAT( 313 ) ! APIP2+ACO3=0.5000D+00*HO+...\n & + 5.0000D-01 * RXRAT( 317 ) ! LIMP2+ACO3=0.5000D+00*HO+...\n & + 4.8000D-01 * RXRAT( 378 ) ! APIP2+APIP1=0.4800D+00*HO+...\n & + 4.8000D-01 * RXRAT( 379 ) ! APIP2+LIMP1=0.4800D+00*HO+...\n & + 4.8000D-01 * RXRAT( 380 ) ! APIP2+ISOP=0.4800D+00*HO+...\n & + 4.8000D-01 * RXRAT( 381 ) ! LIMP2+APIP1=0.4800D+00*HO+...\n & + 4.8000D-01 * RXRAT( 382 ) ! LIMP2+LIMP1=0.4800D+00*HO+...\n & + 4.8000D-01 * RXRAT( 383 ) ! LIMP2+ISOP=0.4800D+00*HO+...\n & + 2.8000D-01 * RXRAT( 394 ) ! ACRO+O3=0.2800D+00*HO+...\n & + 2.0400D-01 * RXRAT( 396 ) ! ACRO=0.2040D+00*HO+0.4770D+...\n & + 8.0000D-02 * RXRAT( 403 ) ! BDE13+O3=0.8000D-01*HO+...\n & + 2.0000D-02 * RXRAT( 409 ) ! FURAN+O3=0.2000D-01*HO+ALD\n\n P4 = YC0( HO ) + P4 * DTC\n\nc..Production of HO2 from OH ( r5,4 terms )\n R5_4 = RKI( 41 ) * YC ( O3 ) ! HO+O3=HO2\n & + RKI( 50 ) ! HO=HO2\n & + RKI( 54 ) * YC ( H2O2 ) ! HO+H2O2=HO2\n & + RKI( 65 ) * YC ( NO3 ) ! HO+NO3=HO2+NO2\n & + RKI( 76 ) * YC ( SO2 ) ! HO+SO2=HO2+SULF+...\n & + RKI( 77 ) * YC ( CO ) ! HO+CO=HO2\n & + 3.5000D-01 * RKI( 85 ) * YC ( ACE ) ! HO+ACE=0.3500D+...\n & + 5.3000D-01 * RKI( 86 ) * YC ( BEN ) ! HO+BEN=0.5300D+...\n & + 1.8000D-01 * RKI( 87 ) * YC ( TOL ) ! HO+TOL=0.1800D+...\n & + 1.7000D-01 * RKI( 88 ) * YC ( XYL ) ! HO+XYL=0.1700D+...\n & + 1.8000D-01 * RKI( 89 ) * YC ( EBZ ) ! HO+EBZ=0.1800D+...\n & + 3.0000D-01 * RKI( 100 ) * YC ( INALD ) ! HO+INALD=0.3000D+...\n & + RKI( 107 ) * YC ( HCHO ) ! HO+HCHO=HO2+CO\n & + RKI( 113 ) * YC ( HKET ) ! HO+HKET=HO2+MGLY\n & + RKI( 117 ) * YC ( GLY ) ! HO+GLY=HO2+...\n & + 5.2000D-01 * RKI( 119 ) * YC ( DCB1 ) ! HO+DCB1=0.5200D+...\n & + 5.2000D-01 * RKI( 120 ) * YC ( DCB2 ) ! HO+DCB2=0.5200D+...\n & + 5.6000D-01 * RKI( 121 ) * YC ( DCB3 ) ! HO+DCB3=0.5600D+...\n & + 6.1900D-01 * RKI( 123 ) * YC ( PHEN ) ! HO+PHEN=0.6190D+...\n & + 5.8400D-01 * RKI( 124 ) * YC ( CSL ) ! HO+CSL=0.5840D+...\n & + RKI( 126 ) * YC ( MOH ) ! HO+MOH=HO2+HCHO\n & + RKI( 127 ) * YC ( EOH ) ! HO+EOH=HO2+ACD\n & + RKI( 128 ) * YC ( ROH ) ! HO+ROH=HO2+...\n & + RKI( 129 ) * YC ( ETEG ) ! HO+ETEG=HO2+ALD\n & + RKI( 135 ) * YC ( ORA1 ) ! HO+ORA1=HO2\n & + 3.3300D-01 * RKI( 397 ) * YC ( BDE13 ) ! HO+BDE13=0.3330D+...\n & + 4.9000D-01 * RKI( 405 ) * YC ( FURAN ) ! HO+FURAN=0.4900D+...\n & + 6.6000D-01 * RKI( 408 ) * YC ( FURANONE ) ! HO+FURANONE=...\n & + RKI( 411 ) * YC ( PROG ) ! HO+PROG=HO2+...\n & + 1.6000D-01 * RKI( 489 ) * YC ( VROCP6ARO ) ! HO+VROCP6ARO=...\n & + 1.6000D-01 * RKI( 495 ) * YC ( VROCP5ARO ) ! HO+VROCP5ARO=...\n & + 1.6000D-01 * RKI( 501 ) * YC ( NAPH ) ! HO+NAPH=0.1600D+...\n\n R5_4 = R5_4 * DTC\n\nc..Production of HO2 from HNO4 (r5,21 term )\n R5_21 = 8.0000D-01 * RKI( 9 ) ! HNO4=0.8000D+...\n & + RKI( 74 ) ! HNO4=HO2+NO2\n\n R5_21 = R5_21 * DTC\n\nc..Remaining HO2 production terms\n P5 = 2.0000D+00 * RXRAT( 11 ) ! HCHO=0.2000D+01*HO2+CO\n & + RXRAT( 12 ) ! ACD=HO2+MO2+CO\n & + RXRAT( 13 ) ! ALD=HO2+ETHP+CO\n & + 1.2200D+00 * RXRAT( 16 ) ! UALD=0.1220D+01*HO2+...\n & + RXRAT( 17 ) ! PINAL=HO2+HC10P+CO\n & + RXRAT( 18 ) ! LIMAL=HO2+HC10P+CO\n & + RXRAT( 21 ) ! HKET=HO2+ACO3+HCHO\n & + 6.6000D-01 * RXRAT( 22 ) ! MACR=0.6600D+00*HO2+...\n & + 2.0000D+00 * RXRAT( 26 ) ! GLY=0.2000D+01*HO2+0.2000D+...\n & + RXRAT( 27 ) ! MGLY=HO2+ACO3+CO\n & + 1.5000D+00 * RXRAT( 28 ) ! DCB1=0.1500D+01*HO2+...\n & + 1.5000D+00 * RXRAT( 29 ) ! DCB2=0.1500D+01*HO2+...\n & + RXRAT( 30 ) ! BALD=HO2+CHO+CO\n & + RXRAT( 31 ) ! OP1=HO2+HO+HCHO\n & + RXRAT( 32 ) ! OP2=HO2+HO+ALD\n & + RXRAT( 33 ) ! OPB=HO2+HO+ALD\n & + RXRAT( 34 ) ! OP3=HO2+HO+ALD\n & + RXRAT( 36 ) ! ONIT=HO2+NO2+0.2000D+...\n & + 2.5000D-01 * RXRAT( 90 ) ! ISO+O3=0.2500D+00*HO2+...\n & + 8.8000D-01 * RXRAT( 94 ) ! ISOP+NO=0.8800D+00*HO2+...\n & + 3.4000D-01 * RXRAT( 96 ) ! ISHP+HO=0.3400D+00*HO2+...\n & + 1.5000D-01 * RXRAT( 144 ) ! ETE+O3=0.1500D+00*HO2+...\n & + 3.2000D-01 * RXRAT( 145 ) ! OLT+O3=0.3200D+00*HO2+...\n & + 7.0000D-02 * RXRAT( 146 ) ! OLI+O3=0.7000D-01*HO2+...\n & + 1.1050D-01 * RXRAT( 147 ) ! API+O3=0.1105D+00*HO2+...\n & + 1.4000D-01 * RXRAT( 151 ) ! MACR+O3=0.1400D+00*HO2+...\n & + 1.1000D-01 * RXRAT( 152 ) ! MVK+O3=0.1100D+00*HO2+...\n & + 7.2000D-02 * RXRAT( 153 ) ! UALD+O3=0.7200D-01*HO2+...\n & + RXRAT( 154 ) ! DCB1+O3=HO2+0.5000D-01*HO+...\n & + RXRAT( 155 ) ! DCB2+O3=HO2+0.5000D-01*HO+...\n & + RXRAT( 156 ) ! DCB3+O3=HO2+0.5000D-01*HO+...\n & + RXRAT( 164 ) ! HCHO+NO3=HO2+CO+HNO3\n & + RXRAT( 168 ) ! UALD+NO3=HO2+XO2+0.6680D+...\n & + RXRAT( 169 ) ! GLY+NO3=HO2+0.2000D+01*CO+HNO3\n & + RXRAT( 183 ) ! MO2+NO=HO2+NO2+HCHO\n & + RXRAT( 184 ) ! ETHP+NO=HO2+NO2+ACD\n & + 6.6000D-01 * RXRAT( 185 ) ! HC3P+NO=0.6600D+00*HO2+...\n & + 2.0000D-01 * RXRAT( 186 ) ! HC5P+NO=0.2000D+00*HO2+...\n & + RXRAT( 187 ) ! ETEP+NO=HO2+NO2+0.1600D+...\n & + 7.8000D-01 * RXRAT( 188 ) ! OLTP+NO=0.7800D+00*HO2+...\n & + 8.3000D-01 * RXRAT( 189 ) ! OLIP+NO=0.8300D+00*HO2+...\n & + 9.9800D-01 * RXRAT( 190 ) ! BENP+NO=0.9980D+00*HO2+...\n & + 9.9800D-01 * RXRAT( 191 ) ! TOLP+NO=0.9980D+00*HO2+...\n & + 9.9800D-01 * RXRAT( 192 ) ! XYLP+NO=0.9980D+00*HO2+...\n & + 9.9800D-01 * RXRAT( 193 ) ! EBZP+NO=0.9980D+00*HO2+...\n & + 7.6300D-01 * RXRAT( 194 ) ! APIP1+NO=0.7630D+00*HO2+...\n & + 1.6450D-01 * RXRAT( 196 ) ! APINP1+NO=0.1645D+00*HO2+...\n & + 7.7000D-01 * RXRAT( 198 ) ! LIMP1+NO=0.7700D+00*HO2+...\n & + 5.0000D-01 * RXRAT( 200 ) ! LIMNP1+NO=0.5000D+00*HO2+...\n & + 3.6000D-01 * RXRAT( 203 ) ! LIMALP+NO=0.3600D+00*HO2+...\n & + 6.7000D-01 * RXRAT( 207 ) ! MEKP+NO=0.6700D+00*HO2+NO2+...\n & + 7.7000D-01 * RXRAT( 208 ) ! KETP+NO=0.7700D+00*HO2+...\n & + 5.0000D-01 * RXRAT( 210 ) ! MCP+NO=0.5000D+00*HO2+NO2+...\n & + 3.0000D-01 * RXRAT( 211 ) ! MVKP+NO=0.3000D+00*HO2+...\n & + RXRAT( 212 ) ! UALP+NO=HO2+NO2+0.6100D+...\n & + RXRAT( 215 ) ! ADDC+NO=HO2+NO2+0.3200D+...\n & + RXRAT( 217 ) ! ORAP+NO=HO2+GLY+NO2\n & + RXRAT( 218 ) ! OLNN+NO=HO2+NO2+ONIT\n & + 7.4000D-01 * RXRAT( 263 ) ! MO2+MO2=0.7400D+00*HO2+...\n & + RXRAT( 264 ) ! ETHP+MO2=HO2+0.7500D+...\n & + 8.9400D-01 * RXRAT( 265 ) ! HC3P+MO2=0.8940D+00*HO2+...\n & + 8.4200D-01 * RXRAT( 266 ) ! HC5P+MO2=0.8420D+00*HO2+...\n & + RXRAT( 267 ) ! ETEP+MO2=HO2+0.1950D+...\n & + RXRAT( 268 ) ! OLTP+MO2=HO2+0.1500D+...\n & + RXRAT( 269 ) ! OLIP+MO2=HO2+0.7500D+...\n & + 1.3700D+00 * RXRAT( 270 ) ! BENP+MO2=0.1370D+01*HO2+...\n & + 1.2846D+00 * RXRAT( 271 ) ! TOLP+MO2=0.1285D+01*HO2+...\n & + 1.3218D+00 * RXRAT( 272 ) ! XYLP+MO2=0.1322D+01*HO2+...\n & + 1.2846D+00 * RXRAT( 273 ) ! EBZP+MO2=0.1285D+01*HO2+...\n & + RXRAT( 274 ) ! ISOP+MO2=HO2+0.1310D+...\n & + 1.2790D+00 * RXRAT( 275 ) ! APIP1+MO2=0.1279D+01*HO2+...\n & + RXRAT( 276 ) ! APIP2+MO2=HO2+0.7500D+...\n & + 9.1800D-01 * RXRAT( 277 ) ! APINP1+MO2=0.9180D+00*HO2+...\n & + 7.5000D-01 * RXRAT( 278 ) ! APINP2+MO2=0.7500D+00*HO2+...\n & + RXRAT( 279 ) ! LIMP1+MO2=HO2+LIMAL+...\n & + RXRAT( 280 ) ! LIMP2+MO2=HO2+0.7500D+...\n & + 1.0100D+00 * RXRAT( 281 ) ! LIMNP1+MO2=0.1010D+01*HO2+...\n & + 7.5000D-01 * RXRAT( 282 ) ! LIMNP2+MO2=0.7500D+00*HO2+...\n & + 9.0000D-01 * RXRAT( 283 ) ! ACO3+MO2=0.9000D+00*HO2+...\n & + 9.0000D-01 * RXRAT( 284 ) ! RCO3+MO2=0.9000D+00*HO2+...\n & + 5.0000D-01 * RXRAT( 285 ) ! ACTP+MO2=0.5000D+00*HO2+...\n & + 8.3400D-01 * RXRAT( 286 ) ! MEKP+MO2=0.8340D+00*HO2+...\n & + RXRAT( 287 ) ! KETP+MO2=HO2+0.7500D+...\n & + 5.0000D-01 * RXRAT( 288 ) ! MACP+MO2=0.5000D+00*HO2+...\n & + RXRAT( 289 ) ! MCP+MO2=HO2+NO2+0.1500D+...\n & + RXRAT( 290 ) ! MVKP+MO2=HO2+0.1160D+...\n & + RXRAT( 291 ) ! UALP+MO2=HO2+0.3050D+00*CO+...\n & + RXRAT( 292 ) ! BALP+MO2=HO2+BAL1+HCHO\n & + RXRAT( 293 ) ! BAL1+MO2=HO2+BAL2+HCHO\n & + 2.0000D+00 * RXRAT( 294 ) ! ADDC+MO2=0.2000D+01*HO2+...\n & + RXRAT( 295 ) ! MCTP+MO2=HO2+MCTO+HCHO\n & + RXRAT( 296 ) ! ORAP+MO2=HO2+HCHO+GLY\n & + 2.0000D+00 * RXRAT( 297 ) ! OLNN+MO2=0.2000D+01*HO2+...\n & + 5.0000D-01 * RXRAT( 298 ) ! OLND+MO2=0.5000D+00*HO2+...\n & + RXRAT( 299 ) ! ADCN+MO2=HO2+0.7000D+...\n & + RXRAT( 300 ) ! XO2+MO2=HO2+HCHO\n & + 5.0000D-01 * RXRAT( 301 ) ! ETHP+ACO3=0.5000D+00*HO2+...\n & + 3.9400D-01 * RXRAT( 302 ) ! HC3P+ACO3=0.3940D+00*HO2+...\n & + 3.4200D-01 * RXRAT( 303 ) ! HC5P+ACO3=0.3420D+00*HO2+...\n & + 5.0000D-01 * RXRAT( 304 ) ! ETEP+ACO3=0.5000D+00*HO2+...\n & + 5.0000D-01 * RXRAT( 305 ) ! OLTP+ACO3=0.5000D+00*HO2+...\n & + 5.0000D-01 * RXRAT( 306 ) ! OLIP+ACO3=0.5000D+00*HO2+...\n & + RXRAT( 307 ) ! BENP+ACO3=HO2+0.7000D+...\n & + 9.1460D-01 * RXRAT( 308 ) ! TOLP+ACO3=0.9146D+00*HO2+...\n & + 9.5180D-01 * RXRAT( 309 ) ! XYLP+ACO3=0.9518D+00*HO2+...\n & + 9.1460D-01 * RXRAT( 310 ) ! EBZP+ACO3=0.9146D+00*HO2+...\n & + 5.0000D-01 * RXRAT( 311 ) ! ISOP+ACO3=0.5000D+00*HO2+...\n & + RXRAT( 312 ) ! APIP1+ACO3=HO2+0.3710D+...\n & + 1.7500D-01 * RXRAT( 314 ) ! APINP1+ACO3=0.1750D+00*HO2+...\n & + RXRAT( 316 ) ! LIMP1+ACO3=HO2+0.5600D+...\n & + 5.4000D-01 * RXRAT( 318 ) ! LIMNP1+ACO3=0.5400D+00*HO2+...\n & + 3.3000D-01 * RXRAT( 323 ) ! MEKP+ACO3=0.3300D+00*HO2+...\n & + 5.0000D-01 * RXRAT( 324 ) ! KETP+ACO3=0.5000D+00*HO2+...\n & + 5.0000D-01 * RXRAT( 326 ) ! MCP+ACO3=0.5000D+00*HO2+...\n & + 5.0000D-01 * RXRAT( 327 ) ! MVKP+ACO3=0.5000D+00*HO2+...\n & + 5.0000D-01 * RXRAT( 328 ) ! UALP+ACO3=0.5000D+00*HO2+...\n & + 2.0000D+00 * RXRAT( 331 ) ! ADDC+ACO3=0.2000D+01*HO2+...\n & + RXRAT( 332 ) ! MCTP+ACO3=HO2+MO2+MCTO\n & + RXRAT( 334 ) ! OLNN+ACO3=HO2+MO2+ONIT\n & + RXRAT( 336 ) ! ADCN+ACO3=HO2+MO2+0.7000D+...\n & + RXRAT( 339 ) ! MO2+NO3=HO2+HCHO+NO2\n & + RXRAT( 340 ) ! ETHP+NO3=HO2+NO2+ACD\n & + 2.5400D-01 * RXRAT( 341 ) ! HC3P+NO3=0.2540D+00*HO2+...\n & + 4.8800D-01 * RXRAT( 342 ) ! HC5P+NO3=0.4880D+00*HO2+...\n & + RXRAT( 343 ) ! ETEP+NO3=HO2+NO2+0.1600D+...\n & + 7.9000D-01 * RXRAT( 344 ) ! OLTP+NO3=0.7900D+00*HO2+...\n & + 8.6000D-01 * RXRAT( 345 ) ! OLIP+NO3=0.8600D+00*HO2+...\n & + RXRAT( 346 ) ! BENP+NO3=HO2+NO2+0.0000D+...\n & + 9.1460D-01 * RXRAT( 347 ) ! TOLP+NO3=0.9146D+00*HO2+...\n & + 9.5180D-01 * RXRAT( 348 ) ! XYLP+NO3=0.9518D+00*HO2+...\n & + 9.1460D-01 * RXRAT( 349 ) ! EBZP+NO3=0.9146D+00*HO2+...\n & + RXRAT( 350 ) ! ISOP+NO3=HO2+NO2+0.7500D+...\n & + RXRAT( 351 ) ! APIP1+NO3=HO2+NO2+0.2535D+...\n & + RXRAT( 352 ) ! LIMP1+NO3=HO2+NO2+LIMAL+...\n & + 1.7500D-01 * RXRAT( 353 ) ! APINP1+NO3=0.1750D+00*HO2+...\n & + 5.4000D-01 * RXRAT( 354 ) ! LIMNP1+NO3=0.5400D+00*HO2+...\n & + 6.7000D-01 * RXRAT( 358 ) ! MEKP+NO3=0.6700D+00*HO2+...\n & + RXRAT( 359 ) ! KETP+NO3=HO2+NO2+DCB1\n & + RXRAT( 361 ) ! MCP+NO3=HO2+NO2+HCHO+HKET\n & + 3.0000D-01 * RXRAT( 362 ) ! MVKP+NO3=0.3000D+00*HO2+...\n & + RXRAT( 363 ) ! UALP+NO3=HO2+NO2+0.6100D+...\n & + RXRAT( 366 ) ! ADDC+NO3=HO2+NO2+0.3200D+...\n & + RXRAT( 368 ) ! ORAP+NO3=HO2+GLY+NO2\n & + RXRAT( 369 ) ! OLNN+NO3=HO2+NO2+ONIT\n & + RXRAT( 372 ) ! OLNN+OLNN=HO2+0.2000D+01*ONIT\n & + 5.0000D-01 * RXRAT( 373 ) ! OLNN+OLND=0.5000D+00*HO2+...\n & + 4.8000D-01 * RXRAT( 378 ) ! APIP2+APIP1=0.4800D+00*HO2+...\n & + 4.8000D-01 * RXRAT( 379 ) ! APIP2+LIMP1=0.4800D+00*HO2+...\n & + 4.8000D-01 * RXRAT( 380 ) ! APIP2+ISOP=0.4800D+00*HO2+...\n & + 4.8000D-01 * RXRAT( 381 ) ! LIMP2+APIP1=0.4800D+00*HO2+...\n & + 4.8000D-01 * RXRAT( 382 ) ! LIMP2+LIMP1=0.4800D+00*HO2+...\n & + 4.8000D-01 * RXRAT( 383 ) ! LIMP2+ISOP=0.4800D+00*HO2+...\n & + 4.8000D-01 * RXRAT( 384 ) ! APINP2+APIP1=0.4800D+...\n & + 4.8000D-01 * RXRAT( 385 ) ! APINP2+LIMP1=0.4800D+...\n & + 4.8000D-01 * RXRAT( 386 ) ! APINP2+ISOP=0.4800D+00*HO2+...\n & + 4.8000D-01 * RXRAT( 387 ) ! LIMNP2+APIP1=0.4800D+...\n & + 4.8000D-01 * RXRAT( 388 ) ! LIMNP2+LIMP1=0.4800D+...\n & + 4.8000D-01 * RXRAT( 389 ) ! LIMNP2+ISOP=0.4800D+00*HO2+...\n & + 5.6000D-01 * RXRAT( 394 ) ! ACRO+O3=0.5600D+00*HO2+...\n & + 4.7700D-01 * RXRAT( 396 ) ! ACRO=0.4770D+00*HO2+...\n & + 9.6800D-01 * RXRAT( 398 ) ! BDE13P+NO=0.9680D+00*HO2+...\n & + RXRAT( 399 ) ! BDE13P+NO3=HO2+NO2+0.9250D+...\n & + 8.7000D-01 * RXRAT( 401 ) ! BDE13P+MO2=0.8700D+00*HO2+...\n & + 8.0000D-01 * RXRAT( 402 ) ! BDE13P+ACO3=0.8000D+00*HO2+...\n & + 4.2000D-01 * RXRAT( 403 ) ! BDE13+O3=0.4200D+00*HO2+...\n & + 7.5000D-01 * RXRAT( 406 ) ! FURANO2+NO=0.7500D+00*HO2+...\n & + RXRAT( 461 ) ! VROCP6ALKP2=HO2+VROCP3OXY2\n & + RXRAT( 462 ) ! VROCP5ALKP2=HO2+VROCP2OXY2\n & + RXRAT( 463 ) ! VROCP4ALKP2=HO2+VROCP1OXY1\n & + RXRAT( 464 ) ! VROCP3ALKP2=HO2+VROCP0OXY2\n & + RXRAT( 465 ) ! VROCP2ALKP2=HO2+VROCN1OXY1\n & + RXRAT( 466 ) ! VROCP1ALKP2=HO2+VROCN2OXY2\n & + RXRAT( 467 ) ! HC10P2=HO2+VROCP4OXY2\n & + 8.6000D-01 * RXRAT( 468 ) ! VROCP6ALKP2+NO=0.8600D+...\n & + 8.6000D-01 * RXRAT( 469 ) ! VROCP5ALKP2+NO=0.8600D+...\n & + 8.6000D-01 * RXRAT( 470 ) ! VROCP4ALKP2+NO=0.8600D+...\n & + 8.6000D-01 * RXRAT( 471 ) ! VROCP3ALKP2+NO=0.8600D+...\n & + 8.6000D-01 * RXRAT( 472 ) ! VROCP2ALKP2+NO=0.8600D+...\n & + 8.6000D-01 * RXRAT( 473 ) ! VROCP1ALKP2+NO=0.8600D+...\n & + 8.8000D-01 * RXRAT( 474 ) ! HC10P2+NO=0.8800D+00*HO2+...\n & + RXRAT( 475 ) ! VROCP6ALKP2+NO3=HO2+...\n & + RXRAT( 476 ) ! VROCP5ALKP2+NO3=HO2+...\n & + RXRAT( 477 ) ! VROCP4ALKP2+NO3=HO2+...\n & + RXRAT( 478 ) ! VROCP3ALKP2+NO3=HO2+...\n & + RXRAT( 479 ) ! VROCP2ALKP2+NO3=HO2+...\n & + RXRAT( 480 ) ! VROCP1ALKP2+NO3=HO2+...\n & + RXRAT( 481 ) ! HC10P2+NO3=HO2+KET+NO2\n & + 9.9800D-01 * RXRAT( 491 ) ! VROCP6AROP+NO=0.9980D+...\n & + 9.4050D-01 * RXRAT( 492 ) ! VROCP6AROP+NO3=0.9405D+...\n & + 1.3105D+00 * RXRAT( 493 ) ! VROCP6AROP+MO2=0.1310D+...\n & + 9.4050D-01 * RXRAT( 494 ) ! VROCP6AROP+ACO3=0.9405D+...\n & + 9.9800D-01 * RXRAT( 497 ) ! VROCP5AROP+NO=0.9980D+...\n & + 9.4050D-01 * RXRAT( 498 ) ! VROCP5AROP+NO3=0.9405D+...\n & + 1.3105D+00 * RXRAT( 499 ) ! VROCP5AROP+MO2=0.1310D+...\n & + 9.4050D-01 * RXRAT( 500 ) ! VROCP5AROP+ACO3=0.9405D+...\n & + 9.9800D-01 * RXRAT( 503 ) ! NAPHP+NO=0.9980D+00*HO2+...\n & + 9.4050D-01 * RXRAT( 504 ) ! NAPHP+NO3=0.9405D+00*HO2+...\n & + 1.3105D+00 * RXRAT( 505 ) ! NAPHP+MO2=0.1310D+01*HO2+...\n & + 9.4050D-01 * RXRAT( 506 ) ! NAPHP+ACO3=0.9405D+00*HO2+...\n & + RXRAT( 528 ) ! STYP+NO=HO2+NO2+HCHO+BALD\n & + RXRAT( 529 ) ! STYP+NO3=HO2+NO2+HCHO+BALD\n & + 1.3700D+00 * RXRAT( 530 ) ! STYP+MO2=0.1370D+01*HO2+...\n & + RXRAT( 531 ) ! STYP+ACO3=HO2+HCHO+BALD+...\n\n P5 = YC0( HO2 ) + P5 * DTC\n\nc..Production of HONO from OH (r19,4 terms )\n\n R19_4 = RKI( 56 ) * YC( NO ) * DTC ! OH+NO=HONO\n\nc..Remaining HONO production terms\n P19 = 5.0000D-01 * RXRAT( 424 ) ! NO2=0.5000D+00*HONO+...\n\n P19 = YC0( HONO ) + P19 * DTC\n\nc..Production of HNO4 from HO2 (r21,5 term )\n\n R21_5 = RKI( 73 ) * YCP( NO2 ) * DTC ! HO2+NO2=HNO4\n\nc..Remaining HNO4 production terms\n P21 = YC0( HNO4 )\n\nc..HO loss terms not in R5_4 & R19_4\n L4 = RKI( 51 ) * YC ( HO2 ) ! HO+HO2=\n & + RKI( 60 ) * YC ( HONO ) ! HO+HONO=NO2\n & + RKI( 63 ) * YC ( NO2 ) ! HO+NO2=HNO3\n & + RKI( 64 ) * YC ( HNO3 ) ! HO+HNO3=NO3\n & + RKI( 75 ) * YC ( HNO4 ) ! HO+HNO4=NO2\n & + RKI( 78 ) ! HO=MO2\n & + RKI( 79 ) * YC ( ETH ) ! HO+ETH=ETHP\n & + RKI( 80 ) * YC ( HC3 ) ! HO+HC3=HC3P+...\n & + RKI( 81 ) * YC ( HC5 ) ! HO+HC5=HC5P+...\n & + RKI( 82 ) * YC ( ETE ) ! HO+ETE=ETEP\n & + RKI( 83 ) * YC ( OLT ) ! HO+OLT=OLTP\n & + RKI( 84 ) * YC ( OLI ) ! HO+OLI=OLIP\n & + 4.7000D-01 * RKI( 86 ) * YC ( BEN ) ! HO+BEN=0.5300D+...\n & + 8.2000D-01 * RKI( 87 ) * YC ( TOL ) ! HO+TOL=0.1800D+...\n & + 8.3000D-01 * RKI( 88 ) * YC ( XYL ) ! HO+XYL=0.1700D+...\n & + 8.2000D-01 * RKI( 89 ) * YC ( EBZ ) ! HO+EBZ=0.1800D+...\n & + RKI( 92 ) * YC ( ISO ) ! HO+ISO=ISOP+...\n & + RKI( 95 ) * YC ( ISHP ) ! HO+ISHP=ISOP\n & + 7.0000D-01 * RKI( 100 ) * YC ( INALD ) ! HO+INALD=0.3000D+...\n & + RKI( 102 ) * YC ( IPX ) ! HO+IPX=0.5700D+...\n & + RKI( 103 ) * YC ( API ) ! HO+API=0.9750D+...\n & + RKI( 104 ) * YC ( LIM ) ! HO+LIM=0.9450D+...\n & + RKI( 105 ) * YC ( PINAL ) ! HO+PINAL=0.2300D+...\n & + RKI( 106 ) * YC ( LIMAL ) ! HO+LIMAL=0.8300D+...\n & + RKI( 108 ) * YC ( ACD ) ! HO+ACD=ACO3\n & + RKI( 109 ) * YC ( ALD ) ! HO+ALD=RCO3\n & + RKI( 110 ) * YC ( ACT ) ! HO+ACT=ACTP\n & + RKI( 111 ) * YC ( MEK ) ! HO+MEK=MEKP\n & + RKI( 112 ) * YC ( KET ) ! HO+KET=KETP\n & + RKI( 114 ) * YC ( MACR ) ! HO+MACR=0.5700D+...\n & + RKI( 115 ) * YC ( MVK ) ! HO+MVK=MVKP\n & + RKI( 116 ) * YC ( UALD ) ! HO+UALD=0.3130D+...\n & + RKI( 118 ) * YC ( MGLY ) ! HO+MGLY=ACO3+CO\n & + 4.8000D-01 * RKI( 119 ) * YC ( DCB1 ) ! HO+DCB1=0.5200D+...\n & + 4.8000D-01 * RKI( 120 ) * YC ( DCB2 ) ! HO+DCB2=0.5200D+...\n & + 4.4000D-01 * RKI( 121 ) * YC ( DCB3 ) ! HO+DCB3=0.5600D+...\n & + RKI( 122 ) * YC ( BALD ) ! HO+BALD=BALP\n & + 3.8100D-01 * RKI( 123 ) * YC ( PHEN ) ! HO+PHEN=0.6190D+...\n & + 4.1600D-01 * RKI( 124 ) * YC ( CSL ) ! HO+CSL=0.5840D+...\n & + RKI( 125 ) * YC ( MCT ) ! HO+MCT=MCTO\n & + 6.5000D-01 * RKI( 130 ) * YC ( OP1 ) ! HO+OP1=0.3500D+...\n & + 9.9000D-01 * RKI( 131 ) * YC ( OP2 ) ! HO+OP2=0.1000D-...\n & + 9.9000D-01 * RKI( 132 ) * YC ( OPB ) ! HO+OPB=0.1000D-...\n & + 9.9000D-01 * RKI( 133 ) * YC ( OP3 ) ! HO+OP3=0.1000D-...\n & + RKI( 134 ) * YC ( MAHP ) ! HO+MAHP=MACP\n & + RKI( 136 ) * YC ( ORA2 ) ! HO+ORA2=0.6400D+...\n & + 6.5000D-01 * RKI( 137 ) * YC ( PAA ) ! HO+PAA=0.3500D+...\n & + RKI( 138 ) * YC ( PAN ) ! HO+PAN=XO2+NO3+HCHO\n & + RKI( 139 ) * YC ( PPN ) ! HO+PPN=XO2+NO3+HCHO\n & + RKI( 140 ) * YC ( MPAN ) ! HO+MPAN=NO2+HKET\n & + RKI( 141 ) * YC ( ONIT ) ! HO+ONIT=HC3P+NO2\n & + RKI( 142 ) * YC ( TRPN ) ! HO+TRPN=0.3300D+...\n & + RKI( 143 ) * YC ( HONIT ) ! HO+HONIT=HKET+NO3\n & + RKI( 391 ) * YC ( VROCIOXY ) ! HO+VROCIOXY=...\n & + RKI( 392 ) * YC ( SLOWROC ) ! HO+SLOWROC=ETHP+...\n & + RKI( 393 ) * YC ( ACRO ) ! HO+ACRO=0.5700D+...\n & + 6.6700D-01 * RKI( 397 ) * YC ( BDE13 ) ! HO+BDE13=0.3330D+...\n & + 5.1000D-01 * RKI( 405 ) * YC ( FURAN ) ! HO+FURAN=0.4900D+...\n & + 3.4000D-01 * RKI( 408 ) * YC ( FURANONE ) ! HO+FURANONE=...\n & + RKI( 417 ) * YC ( SESQ ) ! HO+SESQ=SESQRO2\n & + RKI( 433 ) * YC ( VROCP6ALK ) ! HO+VROCP6ALK=...\n & + RKI( 434 ) * YC ( VROCP5ALK ) ! HO+VROCP5ALK=...\n & + RKI( 435 ) * YC ( VROCP4ALK ) ! HO+VROCP4ALK=...\n & + RKI( 436 ) * YC ( VROCP3ALK ) ! HO+VROCP3ALK=...\n & + RKI( 437 ) * YC ( VROCP2ALK ) ! HO+VROCP2ALK=...\n & + RKI( 438 ) * YC ( VROCP1ALK ) ! HO+VROCP1ALK=...\n & + RKI( 439 ) * YC ( HC10 ) ! HO+HC10=HC10P\n & + 8.4000D-01 * RKI( 489 ) * YC ( VROCP6ARO ) ! HO+VROCP6ARO=...\n & + 8.4000D-01 * RKI( 495 ) * YC ( VROCP5ARO ) ! HO+VROCP5ARO=...\n & + 8.4000D-01 * RKI( 501 ) * YC ( NAPH ) ! HO+NAPH=0.1600D+...\n & + RKI( 523 ) * YC ( ECH4 ) ! HO+ECH4=MO2\n & + RKI( 526 ) * YC ( STY ) ! HO+STY=STYP\n\n L4 = 1.0D0 + L4 * DTC + R5_4 + R19_4\n\nc..HO2 loss terms not included in R4_5 & R21_5 (except for HO2+HO2 )\n L5 = RKI( 51 ) * YC ( HO ) ! HO2+HO=\n & + RKI( 58 ) * YC ( NO ) ! HO2+NO=HNO3\n & + 3.0000D-01 * RKI( 66 ) * YC ( NO3 ) ! HO2+NO3=0.7000D+...\n & + 4.3000D-01 * RKI( 93 ) * YC ( ISOP ) ! HO2+ISOP=0.5000D+...\n & + 5.5000D-01 * RKI( 97 ) * YC ( INO2 ) ! HO2+INO2=0.4500D+...\n & + RKI( 225 ) * YC ( MO2 ) ! HO2+MO2=OP1\n & + RKI( 226 ) * YC ( ETHP ) ! HO2+ETHP=OP2\n & + RKI( 227 ) * YC ( HC3P ) ! HO2+HC3P=OP2\n & + RKI( 228 ) * YC ( HC5P ) ! HO2+HC5P=OP2\n & + RKI( 229 ) * YC ( ETEP ) ! HO2+ETEP=OP2\n & + RKI( 230 ) * YC ( OLTP ) ! HO2+OLTP=OP2\n & + RKI( 231 ) * YC ( OLIP ) ! HO2+OLIP=OP2\n & + RKI( 232 ) * YC ( BENP ) ! HO2+BENP=0.6021D+...\n & + RKI( 233 ) * YC ( TOLP ) ! HO2+TOLP=0.7195D+...\n & + RKI( 234 ) * YC ( XYLP ) ! HO2+XYLP=0.4820D-...\n & + RKI( 235 ) * YC ( EBZP ) ! HO2+EBZP=0.8540D-...\n & + 4.3950D-01 * RKI( 236 ) * YC ( APIP1 ) ! HO2+APIP1=...\n & + RKI( 237 ) * YC ( APIP2 ) ! HO2+APIP2=HOM\n & + 3.8050D-01 * RKI( 238 ) * YC ( APINP1 ) ! HO2+APINP1=...\n & + RKI( 239 ) * YC ( APINP2 ) ! HO2+APINP2=HOM\n & + 8.0000D-01 * RKI( 240 ) * YC ( LIMP1 ) ! HO2+LIMP1=...\n & + RKI( 241 ) * YC ( LIMP2 ) ! HO2+LIMP2=HOM\n & + 2.3000D-01 * RKI( 242 ) * YC ( LIMNP1 ) ! HO2+LIMNP1=...\n & + RKI( 243 ) * YC ( LIMNP2 ) ! HO2+LIMNP2=HOM\n & + 7.5000D-01 * RKI( 244 ) * YC ( PINALP ) ! HO2+PINALP=...\n & + 8.0000D-01 * RKI( 245 ) * YC ( LIMALP ) ! HO2+LIMALP=...\n & + 5.6000D-01 * RKI( 246 ) * YC ( ACO3 ) ! HO2+ACO3=0.4400D+...\n & + 5.6000D-01 * RKI( 247 ) * YC ( RCO3 ) ! HO2+RCO3=0.4400D+...\n & + 8.5000D-01 * RKI( 248 ) * YC ( ACTP ) ! HO2+ACTP=0.1500D+...\n & + RKI( 249 ) * YC ( MEKP ) ! HO2+MEKP=OP2\n & + RKI( 250 ) * YC ( KETP ) ! HO2+KETP=OP2\n & + RKI( 251 ) * YC ( MACP ) ! HO2+MACP=MAHP\n & + RKI( 252 ) * YC ( MCP ) ! HO2+MCP=MAHP\n & + RKI( 253 ) * YC ( MVKP ) ! HO2+MVKP=OP2\n & + RKI( 254 ) * YC ( UALP ) ! HO2+UALP=OP2\n & + RKI( 255 ) * YC ( ADDC ) ! HO2+ADDC=OP2\n & + RKI( 256 ) * YC ( CHO ) ! HO2+CHO=CSL\n & + RKI( 257 ) * YC ( MCTP ) ! HO2+MCTP=OP2\n & + RKI( 258 ) * YC ( ORAP ) ! HO2+ORAP=OP2\n & + RKI( 259 ) * YC ( OLNN ) ! HO2+OLNN=ONIT\n & + RKI( 260 ) * YC ( OLND ) ! HO2+OLND=ONIT\n & + RKI( 261 ) * YC ( ADCN ) ! HO2+ADCN=OP2\n & + RKI( 262 ) * YC ( XO2 ) ! HO2+XO2=OP2\n & + RKI( 400 ) * YC ( BDE13P ) ! HO2+BDE13P=OP2\n & + 2.8000D-01 * RKI( 407 ) * YC ( FURANO2 ) ! HO2+FURANO2=...\n & + RKI( 413 ) * YC ( SESQNRO2 ) ! HO2+SESQNRO2=...\n & + RKI( 418 ) * YC ( SESQRO2 ) ! HO2+SESQRO2=...\n & + RKI( 425 ) ! HO2=\n & + RKI( 454 ) * YC ( VROCP6ALKP ) ! HO2+VROCP6ALKP=...\n & + RKI( 455 ) * YC ( VROCP5ALKP ) ! HO2+VROCP5ALKP=...\n & + RKI( 456 ) * YC ( VROCP4ALKP ) ! HO2+VROCP4ALKP=...\n & + RKI( 457 ) * YC ( VROCP3ALKP ) ! HO2+VROCP3ALKP=...\n & + RKI( 458 ) * YC ( VROCP2ALKP ) ! HO2+VROCP2ALKP=...\n & + RKI( 459 ) * YC ( VROCP1ALKP ) ! HO2+VROCP1ALKP=...\n & + RKI( 460 ) * YC ( HC10P ) ! HO2+HC10P=OP2\n & + RKI( 482 ) * YC ( VROCP6ALKP2 ) ! HO2+VROCP6ALKP2=...\n & + RKI( 483 ) * YC ( VROCP5ALKP2 ) ! HO2+VROCP5ALKP2=...\n & + RKI( 484 ) * YC ( VROCP4ALKP2 ) ! HO2+VROCP4ALKP2=...\n & + RKI( 485 ) * YC ( VROCP3ALKP2 ) ! HO2+VROCP3ALKP2=...\n & + RKI( 486 ) * YC ( VROCP2ALKP2 ) ! HO2+VROCP2ALKP2=...\n & + RKI( 487 ) * YC ( VROCP1ALKP2 ) ! HO2+VROCP1ALKP2=...\n & + RKI( 488 ) * YC ( HC10P2 ) ! HO2+HC10P2=...\n & + RKI( 490 ) * YC ( VROCP6AROP ) ! HO2+VROCP6AROP=...\n & + RKI( 496 ) * YC ( VROCP5AROP ) ! HO2+VROCP5AROP=...\n & + RKI( 502 ) * YC ( NAPHP ) ! HO2+NAPHP=...\n & + RKI( 527 ) * YC ( STYP ) ! HO2+STYP=VROCP3OXY2\n\n L5 = 1.0D0 + L5 * DTC + R4_5 + R21_5\n\nc..HONO loss terms not included in R4_19\n L19 = RKI( 60 ) * YC ( HO ) ! HONO+HO=NO2\n\n L19 = 1.0D0 + L19 * DTC + R4_19\n\nc..HNO4 loss terms not included in R5_21\n L21 = 2.0000D-01 * RKI( 9 ) ! HNO4=0.8000D+...\n & + RKI( 75 ) * YC ( HO ) ! HNO4+HO=NO2\n\n L21 = 1.0D0 + L21 * DTC + R5_21\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Solution section\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\nc..compute terms used to calculate a,b & c\n L21_INV = 1.0D0 / L21\n T1 = 1.0D0 / ( L4 * L19 - R4_19 * R19_4 )\n T2 = R5_4 * T1\n T3 = R5_21 * L21_INV\n\nc..solve quadratic equation for HO2\n A = 2.0D0 * ( RKI( 52 ) + RKI( 53 ) ) * DTC\n\n B = L5 - T3 * R21_5 - T2 * R4_5 * L19\n\n C = P5 + T3 * P21 + T2 * ( P4 * L19 + P19 * R4_19 )\n\n Q = -0.5D0 * ( B + SIGN( 1.0D0, B ) * SQRT( B * B + 4.0D0 * A * C ) )\n\n YCP( HO2 ) = MAX( Q / A , -C / Q )\n\nc..compute remaining species concentrations\n YCP( HO ) = ( ( P4 + R4_5 * YCP( HO2 ) ) * L19 + R4_19 * P19 ) * T1\n\n YCP( HNO4 ) = ( P21 + R21_5 * YCP( HO2 ) ) * L21_INV\n\n YCP( HONO ) = ( P19 + R19_4 * YCP( HO ) ) / L19\n\n RETURN\n\n END\n\n\n" }, { "path": "CCTM/src/gas/ebi_cracmm2/hrg3.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE HRG3( DTC )\n\nC**********************************************************************\nC\nC FUNCTION: To solve for the concentration of C2O3 and PAN\nC\nC PRECONDITIONS: For the CRACMM2 mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Mar 15, 2024\nC\nC 18 Jul 14 B.Hutzell: revised to use real(8) variables\nC**********************************************************************\n USE HRDATA\n\n IMPLICIT NONE\n\nC..INCLUDES: NONE\n\nC..ARGUMENTS:\n REAL( 8 ), INTENT( IN ) :: DTC ! Time step\n\n\nC..PARAMETERS: NONE\n\n\nC..EXTERNAL FUNCTIONS: NONE\n\n\nC..SAVED LOCAL VARIABLES:\n! CHARACTER( 16 ), SAVE :: PNAME = 'HRG3' ! Program name\n\n\nC..SCRATCH LOCAL VARIABLES:\n REAL( 8 ) :: A, B, C, Q ! Quadratic equation terms\n REAL( 8 ) :: CMN ! Temp scalar\n REAL( 8 ) :: L8 ! Loss of CCO_O2\n REAL( 8 ) :: L9 ! Loss of PAN\n REAL( 8 ) :: P8 ! Production of CCO_O2\n\n REAL( 8 ) :: K8_8 ! Kaco3+aco3 * delta t\n REAL( 8 ) :: R8_9 ! Kpan-->aco3 * delta t\n REAL( 8 ) :: R9_8 ! Kaco3+no2-->pan * [NO2] * delta t\n\nC**********************************************************************\n\n\nc..Production of ACO3 (except from PAN )\n P8 = RXRAT( 14 ) ! ACT=ACO3+MO2\n & + 7.8400D-01 * RXRAT( 16 ) ! UALD=0.7840D+00*ACO3+...\n & + 9.0000D-01 * RXRAT( 19 ) ! MEK=0.9000D+00*ACO3+ETHP+...\n & + 5.0000D-01 * RXRAT( 20 ) ! KET=0.5000D+00*ACO3+...\n & + RXRAT( 21 ) ! HKET=ACO3+HO2+HCHO\n & + 6.7000D-01 * RXRAT( 22 ) ! MACR=0.6700D+00*ACO3+...\n & + RXRAT( 27 ) ! MGLY=ACO3+HO2+CO\n & + 2.5000D-01 * RXRAT( 28 ) ! DCB1=0.2500D+00*ACO3+...\n & + 2.5000D-01 * RXRAT( 29 ) ! DCB2=0.2500D+00*ACO3+...\n & + 1.8000D-02 * RXRAT( 90 ) ! ISO+O3=0.1800D-01*ACO3+...\n & + 1.1000D-01 * RXRAT( 96 ) ! ISHP+HO=0.1100D+00*ACO3+...\n & + RXRAT( 108 ) ! ACD+HO=ACO3\n & + 3.1300D-01 * RXRAT( 116 ) ! UALD+HO=0.3130D+00*ACO3+...\n & + RXRAT( 118 ) ! MGLY+HO=ACO3+CO\n & + 6.5000D-01 * RXRAT( 137 ) ! PAA+HO=0.6500D+00*ACO3+...\n & + 9.0000D-02 * RXRAT( 146 ) ! OLI+O3=0.9000D-01*ACO3+...\n & + 3.3000D-01 * RXRAT( 148 ) ! LIM+O3=0.3300D+00*ACO3+...\n & + 1.0000D-01 * RXRAT( 151 ) ! MACR+O3=0.1000D+00*ACO3+...\n & + 2.8000D-01 * RXRAT( 152 ) ! MVK+O3=0.2800D+00*ACO3+...\n & + 2.0000D-03 * RXRAT( 153 ) ! UALD+O3=0.2000D-02*ACO3+...\n & + RXRAT( 165 ) ! ACD+NO3=ACO3+HNO3\n & + RXRAT( 170 ) ! MGLY+NO3=ACO3+CO+HNO3\n & + RXRAT( 206 ) ! ACTP+NO=ACO3+NO2+HCHO\n & + 2.3000D-01 * RXRAT( 208 ) ! KETP+NO=0.2300D+00*ACO3+...\n & + 3.5000D-01 * RXRAT( 209 ) ! MACP+NO=0.3500D+00*ACO3+...\n & + 7.0000D-01 * RXRAT( 211 ) ! MVKP+NO=0.7000D+00*ACO3+...\n & + 1.5000D-01 * RXRAT( 248 ) ! ACTP+HO2=0.1500D+00*ACO3+...\n & + 5.0000D-01 * RXRAT( 285 ) ! ACTP+MO2=0.5000D+00*ACO3+...\n & + 2.6900D-01 * RXRAT( 288 ) ! MACP+MO2=0.2690D+00*ACO3+...\n & + 1.1600D+00 * RXRAT( 290 ) ! MVKP+MO2=0.1160D+01*ACO3+...\n & + 1.6000D-01 * RXRAT( 327 ) ! MVKP+ACO3=0.1160D+01*ACO3+...\n & + RXRAT( 357 ) ! ACTP+NO3=ACO3+NO2+HCHO\n & + 5.3800D-01 * RXRAT( 360 ) ! MACP+NO3=0.5380D+00*ACO3+...\n & + 7.0000D-01 * RXRAT( 362 ) ! MVKP+NO3=0.7000D+00*ACO3+...\n & + 3.5400D-01 * RXRAT( 396 ) ! ACRO=0.3540D+00*ACO3+...\n\nc..Loss frequency of ACO3 ( not including ACO3 + ACO3 )\n L8 = RKI( 177 ) * YC ( NO2 ) ! ACO3+NO2=PAN\n & + RKI( 204 ) * YC ( NO ) ! ACO3+NO=MO2+NO2\n & + RKI( 246 ) * YC ( HO2 ) ! ACO3+HO2=0.4400D+...\n & + RKI( 283 ) * YC ( MO2 ) ! ACO3+MO2=0.9000D+...\n & + RKI( 301 ) * YC ( ETHP ) ! ACO3+ETHP=...\n & + RKI( 302 ) * YC ( HC3P ) ! ACO3+HC3P=...\n & + RKI( 303 ) * YC ( HC5P ) ! ACO3+HC5P=...\n & + RKI( 304 ) * YC ( ETEP ) ! ACO3+ETEP=...\n & + RKI( 305 ) * YC ( OLTP ) ! ACO3+OLTP=...\n & + RKI( 306 ) * YC ( OLIP ) ! ACO3+OLIP=...\n & + RKI( 307 ) * YC ( BENP ) ! ACO3+BENP=...\n & + RKI( 308 ) * YC ( TOLP ) ! ACO3+TOLP=...\n & + RKI( 309 ) * YC ( XYLP ) ! ACO3+XYLP=...\n & + RKI( 310 ) * YC ( EBZP ) ! ACO3+EBZP=...\n & + RKI( 311 ) * YC ( ISOP ) ! ACO3+ISOP=...\n & + RKI( 312 ) * YC ( APIP1 ) ! ACO3+APIP1=...\n & + RKI( 313 ) * YC ( APIP2 ) ! ACO3+APIP2=...\n & + RKI( 314 ) * YC ( APINP1 ) ! ACO3+APINP1=...\n & + RKI( 315 ) * YC ( APINP2 ) ! ACO3+APINP2=...\n & + RKI( 316 ) * YC ( LIMP1 ) ! ACO3+LIMP1=LIMAL+...\n & + RKI( 317 ) * YC ( LIMP2 ) ! ACO3+LIMP2=...\n & + RKI( 318 ) * YC ( LIMNP1 ) ! ACO3+LIMNP1=MO2+...\n & + RKI( 319 ) * YC ( LIMNP2 ) ! ACO3+LIMNP2=...\n & + RKI( 321 ) * YC ( RCO3 ) ! ACO3+RCO3=MO2+ETHP\n & + 5.0000D-01 * RKI( 322 ) * YC ( ACTP ) ! ACO3+ACTP=...\n & + RKI( 323 ) * YC ( MEKP ) ! ACO3+MEKP=...\n & + RKI( 324 ) * YC ( KETP ) ! ACO3+KETP=...\n & + 7.3100D-01 * RKI( 325 ) * YC ( MACP ) ! ACO3+MACP=...\n & + RKI( 326 ) * YC ( MCP ) ! ACO3+MCP=NO2+...\n & + RKI( 328 ) * YC ( UALP ) ! ACO3+UALP=...\n & + RKI( 329 ) * YC ( BALP ) ! ACO3+BALP=MO2+BAL1\n & + RKI( 330 ) * YC ( BAL1 ) ! ACO3+BAL1=MO2+BAL2\n & + RKI( 331 ) * YC ( ADDC ) ! ACO3+ADDC=...\n & + RKI( 332 ) * YC ( MCTP ) ! ACO3+MCTP=HO2+...\n & + RKI( 333 ) * YC ( ORAP ) ! ACO3+ORAP=MO2+GLY\n & + RKI( 334 ) * YC ( OLNN ) ! ACO3+OLNN=HO2+...\n & + RKI( 335 ) * YC ( OLND ) ! ACO3+OLND=...\n & + RKI( 336 ) * YC ( ADCN ) ! ACO3+ADCN=HO2+...\n & + RKI( 337 ) * YC ( XO2 ) ! ACO3+XO2=MO2\n & + RKI( 355 ) * YC ( NO3 ) ! ACO3+NO3=MO2+NO2\n & + RKI( 402 ) * YC ( BDE13P ) ! ACO3+BDE13P=...\n & + RKI( 494 ) * YC ( VROCP6AROP ) ! ACO3+VROCP6AROP=...\n & + RKI( 500 ) * YC ( VROCP5AROP ) ! ACO3+VROCP5AROP=...\n & + RKI( 506 ) * YC ( NAPHP ) ! ACO3+NAPHP=...\n & + RKI( 531 ) * YC ( STYP ) ! ACO3+STYP=HO2+...\n\nc..Loss frequency of PAN\n L9 = RKI( 37 ) ! PAN=ACO3+NO2\n & + RKI( 38 ) ! PAN=MO2+NO3\n & + RKI( 138 ) * YC ( HO ) ! PAN+HO=XO2+NO3+HCHO\n & + RKI( 178 ) ! PAN=ACO3+NO2\n\nc..K8_8, R8_9, and R9_8 terms\n K8_8 = RKI( 320 ) * DTC\n\n R8_9 = ( RKI( 37 )\n & + RKI( 178 ) ) * DTC \n\n R9_8 = ( RKI( 177 ) * YC( NO2 ) ) * DTC \n\nc..Solution of quadratic equation to get ACO3 & PAN\n CMN = 1.0 + L9 * DTC\n A = 2.0D0 * K8_8 * CMN\n B = CMN * ( 1.0D0 + L8 * DTC ) - R8_9 * R9_8\n C = CMN * ( YC0( ACO3 ) + P8 * DTC ) + R8_9 * YC0( PAN )\n\n Q = -0.5D0 * ( B + SIGN( 1.0D0, B ) * SQRT( B * B + 4.0D0 * A * C ) )\n\n YCP( ACO3 ) = MAX( Q / A , -C / Q )\n\n YCP( PAN ) = ( YC0( PAN ) + R9_8 * YCP( ACO3 ) ) / CMN\n\n RETURN\n\n END\n" }, { "path": "CCTM/src/gas/ebi_cracmm2/hrg4.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE HRG4( DTC )\n\nC**********************************************************************\nC\nC FUNCTION: To solve for the concentration of NO3 and N2O5\nC\nC PRECONDITIONS: For the CRACMM2 mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Mar 15, 2024\nC\nC 18 Jul 14 B.Hutzell: revised to use real(8) variables\nC**********************************************************************\n USE HRDATA\n\n IMPLICIT NONE\n\n\nC..INCLUDES: NONE\n\n\nC..ARGUMENTS:\n REAL( 8 ), INTENT( IN ) :: DTC ! Time step\n\n\nC..PARAMETERS: NONE\n\n\nC..EXTERNAL FUNCTIONS: NONE\n\n\nC..SAVED LOCAL VARIABLES:\n! CHARACTER( 16 ), SAVE :: PNAME = 'HRG4' ! Program name\n\n\nC..SCRATCH LOCAL VARIABLES:\n REAL( 8 ) :: A, B, C, Q ! Quadratic equation terms\n REAL( 8 ) :: CMN ! Temp scalar\n REAL( 8 ) :: L15 ! Loss of NO3\n REAL( 8 ) :: L16 ! Loss of N2O5\n REAL( 8 ) :: P15 ! Production of NO3\n REAL( 8 ) :: K15_15 ! Kno3+no3 * delta t\n REAL( 8 ) :: R15_16 ! Kn2o5-->no3 * delta t\n REAL( 8 ) :: R16_15 ! Kno3+no2-->n2o5[NO2] * delta t\n\n\nC**********************************************************************\n\n\nc..Production of NO3 (except from N2O5 )\n P15 = 2.0000D-01 * RKI( 9 ) * YC ( HNO4 ) ! HNO4=0.2000D+00*NO3+...\n & + RKI( 38 ) * YC ( PAN ) ! PAN=NO3+MO2\n & + RKI( 44 ) * YCP( O3 ) * YCP( NO2 ) ! O3+NO2=NO3\n & + RKI( 62 ) * YCP( NO2 ) * YCP( O3P ) ! NO2+O3P=NO3\n & + RKI( 64 ) * YC ( HNO3 ) * YCP( HO ) ! HNO3+HO=NO3\n & + RKI( 138 ) * YC ( PAN ) * YCP( HO ) ! PAN+HO=NO3+XO2+HCHO\n & + RKI( 139 ) * YC ( PPN ) * YCP( HO ) ! PPN+HO=NO3+XO2+HCHO\n & + RKI( 143 ) * YC ( HONIT ) * YCP( HO ) ! HONIT+HO=NO3+HKET\n\nc..Loss frequency of NO3 ( except NO3 + NO3 if present )\n L15 = RKI( 5 ) ! NO3=NO\n & + RKI( 6 ) ! NO3=O3P+NO2\n & + RKI( 65 ) * YCP( HO ) ! NO3+HO=HO2+NO2\n & + RKI( 66 ) * YCP( HO2 ) ! NO3+HO2=0.7000D+...\n & + RKI( 67 ) * YCP( NO ) ! NO3+NO=0.2000D+...\n & + RKI( 68 ) * YCP( NO2 ) ! NO3+NO2=NO+NO2\n & + RKI( 70 ) * YCP( NO2 ) ! NO3+NO2=N2O5\n & + RKI( 91 ) * YC ( ISO ) ! NO3+ISO=0.4000D+...\n & + RKI( 158 ) * YC ( ETE ) ! NO3+ETE=0.8000D+...\n & + RKI( 159 ) * YC ( OLT ) ! NO3+OLT=0.4300D+...\n & + RKI( 160 ) * YC ( OLI ) ! NO3+OLI=0.1100D+...\n & + RKI( 161 ) * YC ( API ) ! NO3+API=0.9750D+...\n & + RKI( 162 ) * YC ( LIM ) ! NO3+LIM=0.9450D+...\n & + RKI( 163 ) * YC ( TRPN ) ! NO3+TRPN=0.3300D+...\n & + RKI( 164 ) * YC ( HCHO ) ! NO3+HCHO=HO2+CO+HNO3\n & + RKI( 165 ) * YC ( ACD ) ! NO3+ACD=ACO3+HNO3\n & + RKI( 166 ) * YC ( ALD ) ! NO3+ALD=RCO3+HNO3\n & + RKI( 167 ) * YC ( MACR ) ! NO3+MACR=0.6800D+...\n & + RKI( 168 ) * YC ( UALD ) ! NO3+UALD=HO2+XO2+...\n & + RKI( 169 ) * YC ( GLY ) ! NO3+GLY=HO2+...\n & + RKI( 170 ) * YC ( MGLY ) ! NO3+MGLY=ACO3+CO+...\n & + RKI( 171 ) * YC ( PHEN ) ! NO3+PHEN=0.1520D+...\n & + RKI( 172 ) * YC ( CSL ) ! NO3+CSL=0.2000D+...\n & + RKI( 173 ) * YC ( MCT ) ! NO3+MCT=MCTO+HNO3\n & + RKI( 174 ) * YC ( MPAN ) ! NO3+MPAN=MACP+NO2\n & + RKI( 339 ) * YC ( MO2 ) ! NO3+MO2=HO2+HCHO+NO2\n & + RKI( 340 ) * YC ( ETHP ) ! NO3+ETHP=HO2+NO2+ACD\n & + RKI( 341 ) * YC ( HC3P ) ! NO3+HC3P=0.2540D+...\n & + RKI( 342 ) * YC ( HC5P ) ! NO3+HC5P=0.4880D+...\n & + RKI( 343 ) * YC ( ETEP ) ! NO3+ETEP=HO2+NO2+...\n & + RKI( 344 ) * YC ( OLTP ) ! NO3+OLTP=0.4700D+...\n & + RKI( 345 ) * YC ( OLIP ) ! NO3+OLIP=0.8600D+...\n & + RKI( 346 ) * YC ( BENP ) ! NO3+BENP=NO2+HO2+...\n & + RKI( 347 ) * YC ( TOLP ) ! NO3+TOLP=NO2+...\n & + RKI( 348 ) * YC ( XYLP ) ! NO3+XYLP=NO2+...\n & + RKI( 349 ) * YC ( EBZP ) ! NO3+EBZP=NO2+...\n & + RKI( 350 ) * YC ( ISOP ) ! NO3+ISOP=HO2+NO2+...\n & + RKI( 351 ) * YC ( APIP1 ) ! NO3+APIP1=NO2+...\n & + RKI( 352 ) * YC ( LIMP1 ) ! NO3+LIMP1=HO2+...\n & + RKI( 353 ) * YC ( APINP1 ) ! NO3+APINP1=...\n & + RKI( 354 ) * YC ( LIMNP1 ) ! NO3+LIMNP1=...\n & + RKI( 355 ) * YC ( ACO3 ) ! NO3+ACO3=MO2+NO2\n & + RKI( 356 ) * YC ( RCO3 ) ! NO3+RCO3=ETHP+NO2\n & + RKI( 357 ) * YC ( ACTP ) ! NO3+ACTP=ACO3+...\n & + RKI( 358 ) * YC ( MEKP ) ! NO3+MEKP=0.6700D+...\n & + RKI( 359 ) * YC ( KETP ) ! NO3+KETP=HO2+NO2+...\n & + RKI( 360 ) * YC ( MACP ) ! NO3+MACP=HCHO+...\n & + RKI( 361 ) * YC ( MCP ) ! NO3+MCP=NO2+HO2+...\n & + RKI( 362 ) * YC ( MVKP ) ! NO3+MVKP=0.3000D+...\n & + RKI( 363 ) * YC ( UALP ) ! NO3+UALP=HO2+NO2+...\n & + RKI( 364 ) * YC ( BALP ) ! NO3+BALP=BAL1+NO2\n & + RKI( 365 ) * YC ( BAL1 ) ! NO3+BAL1=BAL2+NO2\n & + RKI( 366 ) * YC ( ADDC ) ! NO3+ADDC=HO2+NO2+...\n & + RKI( 367 ) * YC ( MCTP ) ! NO3+MCTP=NO2+MCTO\n & + RKI( 368 ) * YC ( ORAP ) ! NO3+ORAP=NO2+GLY+HO2\n & + RKI( 369 ) * YC ( OLNN ) ! NO3+OLNN=HO2+NO2+...\n & + RKI( 370 ) * YC ( OLND ) ! NO3+OLND=0.2000D+...\n & + RKI( 371 ) * YC ( ADCN ) ! NO3+ADCN=0.2000D+...\n & + RKI( 375 ) * YC ( XO2 ) ! NO3+XO2=NO2\n & + RKI( 395 ) * YC ( ACRO ) ! NO3+ACRO=0.6800D+...\n & + RKI( 399 ) * YC ( BDE13P ) ! NO3+BDE13P=HO2+...\n & + RKI( 404 ) * YC ( BDE13 ) ! NO3+BDE13=...\n & + RKI( 410 ) * YC ( FURAN ) ! NO3+FURAN=NO2+...\n & + RKI( 412 ) * YC ( SESQ ) ! NO3+SESQ=SESQNRO2\n & + RKI( 415 ) * YC ( SESQNRO2 ) ! NO3+SESQNRO2=...\n & + RKI( 419 ) * YC ( SESQRO2 ) ! NO3+SESQRO2=...\n & + RKI( 426 ) ! NO3=HNO3\n & + RKI( 447 ) * YC ( VROCP6ALKP ) ! NO3+VROCP6ALKP=...\n & + RKI( 448 ) * YC ( VROCP5ALKP ) ! NO3+VROCP5ALKP=...\n & + RKI( 449 ) * YC ( VROCP4ALKP ) ! NO3+VROCP4ALKP=...\n & + RKI( 450 ) * YC ( VROCP3ALKP ) ! NO3+VROCP3ALKP=...\n & + RKI( 451 ) * YC ( VROCP2ALKP ) ! NO3+VROCP2ALKP=...\n & + RKI( 452 ) * YC ( VROCP1ALKP ) ! NO3+VROCP1ALKP=...\n & + RKI( 453 ) * YC ( HC10P ) ! NO3+HC10P=HC10P2+NO2\n & + RKI( 475 ) * YC ( VROCP6ALKP2 ) ! NO3+VROCP6ALKP2=...\n & + RKI( 476 ) * YC ( VROCP5ALKP2 ) ! NO3+VROCP5ALKP2=...\n & + RKI( 477 ) * YC ( VROCP4ALKP2 ) ! NO3+VROCP4ALKP2=...\n & + RKI( 478 ) * YC ( VROCP3ALKP2 ) ! NO3+VROCP3ALKP2=...\n & + RKI( 479 ) * YC ( VROCP2ALKP2 ) ! NO3+VROCP2ALKP2=...\n & + RKI( 480 ) * YC ( VROCP1ALKP2 ) ! NO3+VROCP1ALKP2=...\n & + RKI( 481 ) * YC ( HC10P2 ) ! NO3+HC10P2=NO2+...\n & + RKI( 492 ) * YC ( VROCP6AROP ) ! NO3+VROCP6AROP=...\n & + RKI( 498 ) * YC ( VROCP5AROP ) ! NO3+VROCP5AROP=...\n & + RKI( 504 ) * YC ( NAPHP ) ! NO3+NAPHP=NO2+...\n & + RKI( 529 ) * YC ( STYP ) ! NO3+STYP=NO2+HO2+...\n\nc..Loss frequency of N2O5\n L16 = RKI( 71 ) ! N2O5=NO2+NO3\n & + RKI( 72 ) ! N2O5=0.2000D+01*HNO3\n & + RKI( 423 ) ! N2O5=0.2000D+01*HNO3\n\nc..K15_15, R15_16, and R16_15 terms\n K15_15 = RKI( 69 ) * DTC\n\n R15_16 = ( RKI( 71 ) ) * DTC \n\n\n R16_15 = RKI( 70 ) * YCP( NO2 ) * DTC\n\nc..Solution of quadratic equation to get NO3 & N2O5\n CMN = 1.0D0 + L16 * DTC\n A = 2.0D0 * K15_15 * CMN\n B = CMN * ( 1.0D0 + L15 * DTC ) - R15_16 * R16_15\n C = CMN * ( YC0( NO3 ) + P15 * DTC ) + R15_16 * YC0( N2O5 )\n\n Q = -0.5D0 * ( B + SIGN( 1.0D0, B ) * SQRT( B * B + 4.0D0 * A * C ) )\n YCP( NO3 ) = MAX( Q / A , -C / Q )\n YCP( N2O5 ) = ( YC0( N2O5 ) + R16_15 * YCP( NO3 ) ) / CMN\n\n RETURN\n\n END\n" }, { "path": "CCTM/src/gas/ebi_cracmm2/hrinit.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\n SUBROUTINE HRINIT\nC***********************************************************************\nC\nC FUNCTION: To initialize species tolerances, arrays, and indices\nC\nC PRECONDITIONS: For the CRACMM2 mechanism\nC\nC RETURN VALUES: None\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Mar 15, 2024\nC 21 Jun 10 J.Young: convert for Namelist redesign\nC 18 Jul 14 B.Hutzell: revised to use the RXNS_DATA and RXNS_FUNCTION\nC modules instead of include files\nC***********************************************************************\n\n USE UTILIO_DEFN\n USE HRDATA\n USE RXNS_DATA\n USE RXNS_FUNCTION\n\n IMPLICIT NONE\n\nC.....INCLUDES:\n Include SUBST_CONST ! common constants\n\nC.....ARGUMENTS: NONE\n\nC.....PARAMETERS: NONE\n\n\nC.....SAVED VARIABLES:\n CHARACTER( 16 ), SAVE :: PNAME = 'HRINIT' ! Program name\n\n\nC.....LOCAL VARIABLES:\n CHARACTER( 132 ) :: MSG ! Log message\n\n INTEGER N ! Loop index\n INTEGER IOS ! Allocate error status\n\nC***********************************************************************\n\n N_SPEC = NUMB_MECH_SPC\n N_RXNS = NRXNS\n N_SPCL_RKS = 0\n ALLOCATE( RKI( NRXNS ),\n & RKI_SAV( MAX_CELLS_EBI, NRXNS ),\n & FORWARD_CONV( NUMB_MECH_SPC),\n & REVERSE_CONV( NUMB_MECH_SPC),\n & RXRAT( NRXNS ),\n & RTOL( NUMB_MECH_SPC),\n & YC( NUMB_MECH_SPC),\n & YC0( NUMB_MECH_SPC),\n & YCP( NUMB_MECH_SPC),\n & PROD( NUMB_MECH_SPC),\n & LOSS( NUMB_MECH_SPC),\n & STAT = IOS )\n\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating RKI, RXRAT, RTOL, YC, YC0, YCP, FORWARD_CONV, '\n & // 'REVERSE_CONV, PROD, LOSS, or PNEG'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n ALLOCATE( ATMPRES( MAX_CELLS_EBI ),\n & H2O ( MAX_CELLS_EBI ),\n & TEMP ( MAX_CELLS_EBI ),\n & DENSITY( MAX_CELLS_EBI ),\n & HET ( MAX_CELLS_EBI, NHETERO ),\n & RJIN ( MAX_CELLS_EBI, NPHOTAB ),\n & SEAWATER ( MAX_CELLS_EBI ) ,\n & STAT = IOS )\n\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating ATMPRES, H2O, TEMP, HET, RJIN, SEAWATER '\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n IF( NSPECIAL .GT. 0 )THEN\n ALLOCATE( SYC( MAX_CELLS_EBI, NUMB_MECH_SPC ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating SYC'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n ALLOCATE( IOLD2NEW( NUMB_MECH_SPC, 1 ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating IOLD2NEW'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n DO N = 1, NUMB_MECH_SPC\n IOLD2NEW( N, 1 ) = N\n END DO\n END IF\n\n IF( .NOT. MAP_CHEMISTRY_SPECIES() )THEN\n MSG = 'Detected above error(s) when mapping Chemistry species from CGRID species'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n\n DO N = 1, NUMB_MECH_SPC\n FORWARD_CONV( N ) = 1.0E-3 * MWAIR / SPECIES_MOLWT( N )\n REVERSE_CONV( N ) = 1.0E+3 / MWAIR * SPECIES_MOLWT( N )\n END DO\n\n! initialize all reaction rates to zero so unused array elements are defined\n\n RXRAT = 0.0D0\n\n! initialize all production and loss rates to zero so unused array elements are defined\n\n PROD = 0.0D0\n LOSS = 0.0D0\n\n NING1 = 4\n NING2 = 4\n\n ALLOCATE( YCCELL( MODEL_SPECIES), STAT = IOS ) ! array for degradation routines\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating YCCELL '\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n\nc..Allocate and define ebi species\n\n N_EBISP = 176\n ALLOCATE( EBISP( N_EBISP ), STAT = IOS ) \n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating EBISP' \n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n EBISP( 1 ) = H2O2\n EBISP( 2 ) = HNO3\n EBISP( 3 ) = HCHO\n EBISP( 4 ) = CO\n EBISP( 5 ) = ACD\n EBISP( 6 ) = MO2\n EBISP( 7 ) = ALD\n EBISP( 8 ) = ETHP\n EBISP( 9 ) = ACT\n EBISP( 10 ) = UALD\n EBISP( 11 ) = KET\n EBISP( 12 ) = PINAL\n EBISP( 13 ) = HC10P\n EBISP( 14 ) = LIMAL\n EBISP( 15 ) = MEK\n EBISP( 16 ) = HKET\n EBISP( 17 ) = MACR\n EBISP( 18 ) = MACP\n EBISP( 19 ) = XO2\n EBISP( 20 ) = MVK\n EBISP( 21 ) = GLY\n EBISP( 22 ) = MGLY\n EBISP( 23 ) = DCB1\n EBISP( 24 ) = DCB2\n EBISP( 25 ) = BALD\n EBISP( 26 ) = CHO\n EBISP( 27 ) = OP1\n EBISP( 28 ) = OP2\n EBISP( 29 ) = OPB\n EBISP( 30 ) = OP3\n EBISP( 31 ) = PAA\n EBISP( 32 ) = ONIT\n EBISP( 33 ) = TRPN\n EBISP( 34 ) = HONIT\n EBISP( 35 ) = SO2\n EBISP( 36 ) = SULF\n EBISP( 37 ) = SULRXN\n EBISP( 38 ) = ETH\n EBISP( 39 ) = HC3\n EBISP( 40 ) = HC3P\n EBISP( 41 ) = ASOATJ\n EBISP( 42 ) = HC5\n EBISP( 43 ) = HC5P\n EBISP( 44 ) = ETE\n EBISP( 45 ) = ETEP\n EBISP( 46 ) = OLT\n EBISP( 47 ) = OLTP\n EBISP( 48 ) = OLI\n EBISP( 49 ) = OLIP\n EBISP( 50 ) = ACE\n EBISP( 51 ) = ORA1\n EBISP( 52 ) = BEN\n EBISP( 53 ) = BENP\n EBISP( 54 ) = PHEN\n EBISP( 55 ) = TOL\n EBISP( 56 ) = TOLP\n EBISP( 57 ) = CSL\n EBISP( 58 ) = XYL\n EBISP( 59 ) = XYLP\n EBISP( 60 ) = EBZ\n EBISP( 61 ) = EBZP\n EBISP( 62 ) = ISO\n EBISP( 63 ) = ISON\n EBISP( 64 ) = INO2\n EBISP( 65 ) = ISOP\n EBISP( 66 ) = ISHP\n EBISP( 67 ) = IEPOX\n EBISP( 68 ) = IPX\n EBISP( 69 ) = INALD\n EBISP( 70 ) = ROH\n EBISP( 71 ) = API\n EBISP( 72 ) = APIP1\n EBISP( 73 ) = APIP2\n EBISP( 74 ) = LIM\n EBISP( 75 ) = LIMP1\n EBISP( 76 ) = LIMP2\n EBISP( 77 ) = PINALP\n EBISP( 78 ) = RCO3\n EBISP( 79 ) = LIMALP\n EBISP( 80 ) = ACTP\n EBISP( 81 ) = MEKP\n EBISP( 82 ) = KETP\n EBISP( 83 ) = MCP\n EBISP( 84 ) = MVKP\n EBISP( 85 ) = UALP\n EBISP( 86 ) = DCB3\n EBISP( 87 ) = BALP\n EBISP( 88 ) = ADDC\n EBISP( 89 ) = MCT\n EBISP( 90 ) = MCTO\n EBISP( 91 ) = MOH\n EBISP( 92 ) = EOH\n EBISP( 93 ) = ETEG\n EBISP( 94 ) = MAHP\n EBISP( 95 ) = ORA2\n EBISP( 96 ) = ORAP\n EBISP( 97 ) = PPN\n EBISP( 98 ) = MPAN\n EBISP( 99 ) = MCTP\n EBISP( 100 ) = OLNN\n EBISP( 101 ) = OLND\n EBISP( 102 ) = APINP1\n EBISP( 103 ) = APINP2\n EBISP( 104 ) = LIMNP1\n EBISP( 105 ) = LIMNP2\n EBISP( 106 ) = ADCN\n EBISP( 107 ) = HOM\n EBISP( 108 ) = VROCP4OXY2\n EBISP( 109 ) = VROCN1OXY6\n EBISP( 110 ) = FURANONE\n EBISP( 111 ) = VROCP3OXY2\n EBISP( 112 ) = VROCP0OXY4\n EBISP( 113 ) = BAL1\n EBISP( 114 ) = BAL2\n EBISP( 115 ) = ELHOM\n EBISP( 116 ) = VROCIOXY\n EBISP( 117 ) = SLOWROC\n EBISP( 118 ) = ACRO\n EBISP( 119 ) = BDE13\n EBISP( 120 ) = BDE13P\n EBISP( 121 ) = FURAN\n EBISP( 122 ) = FURANO2\n EBISP( 123 ) = PROG\n EBISP( 124 ) = SESQ\n EBISP( 125 ) = SESQNRO2\n EBISP( 126 ) = VROCN2OXY2\n EBISP( 127 ) = SESQRO2\n EBISP( 128 ) = VROCP0OXY2\n EBISP( 129 ) = VROCP1OXY3\n EBISP( 130 ) = AGLYJ\n EBISP( 131 ) = IEPOXP\n EBISP( 132 ) = AISO3NOSJ\n EBISP( 133 ) = ASO4J\n EBISP( 134 ) = AISO3OSJ\n EBISP( 135 ) = AISO4J\n EBISP( 136 ) = AISO5J\n EBISP( 137 ) = VROCP6ALK\n EBISP( 138 ) = VROCP6ALKP\n EBISP( 139 ) = VROCP5ALK\n EBISP( 140 ) = VROCP5ALKP\n EBISP( 141 ) = VROCP4ALK\n EBISP( 142 ) = VROCP4ALKP\n EBISP( 143 ) = VROCP3ALK\n EBISP( 144 ) = VROCP3ALKP\n EBISP( 145 ) = VROCP2ALK\n EBISP( 146 ) = VROCP2ALKP\n EBISP( 147 ) = VROCP1ALK\n EBISP( 148 ) = VROCP1ALKP\n EBISP( 149 ) = HC10\n EBISP( 150 ) = VROCP6ALKP2\n EBISP( 151 ) = VROCP5ALKP2\n EBISP( 152 ) = VROCP4ALKP2\n EBISP( 153 ) = VROCP2OXY2\n EBISP( 154 ) = VROCP3ALKP2\n EBISP( 155 ) = VROCP1OXY1\n EBISP( 156 ) = VROCP2ALKP2\n EBISP( 157 ) = VROCP1ALKP2\n EBISP( 158 ) = VROCN1OXY1\n EBISP( 159 ) = HC10P2\n EBISP( 160 ) = VROCP6ARO\n EBISP( 161 ) = VROCP6AROP\n EBISP( 162 ) = VROCN2OXY4\n EBISP( 163 ) = VROCN1OXY3\n EBISP( 164 ) = VROCP5ARO\n EBISP( 165 ) = VROCP5AROP\n EBISP( 166 ) = NAPH\n EBISP( 167 ) = NAPHP\n EBISP( 168 ) = VROCN2OXY8\n EBISP( 169 ) = VROCP5OXY1\n EBISP( 170 ) = VROCP6OXY1\n EBISP( 171 ) = ECH4\n EBISP( 172 ) = ATRPNJ\n EBISP( 173 ) = AHOMJ\n EBISP( 174 ) = AHONITJ\n EBISP( 175 ) = STY\n EBISP( 176 ) = STYP\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Set species tolerances\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n RTOL( O3 ) = 5.0D-04\n RTOL( O3P ) = 1.0D+00\n RTOL( O1D ) = 1.0D+00\n RTOL( H2O2 ) = 5.0D-04\n RTOL( HO ) = 5.0D-04\n RTOL( NO2 ) = 5.0D-04\n RTOL( NO ) = 5.0D-04\n RTOL( NO3 ) = 5.0D-04\n RTOL( HONO ) = 5.0D-04\n RTOL( HNO3 ) = 5.0D-04\n RTOL( HNO4 ) = 5.0D-04\n RTOL( HO2 ) = 5.0D-04\n RTOL( HCHO ) = 5.0D-04\n RTOL( CO ) = 5.0D-04\n RTOL( ACD ) = 5.0D-04\n RTOL( MO2 ) = 5.0D-04\n RTOL( ALD ) = 5.0D-04\n RTOL( ETHP ) = 5.0D-04\n RTOL( ACT ) = 5.0D-04\n RTOL( ACO3 ) = 5.0D-04\n RTOL( UALD ) = 5.0D-04\n RTOL( KET ) = 5.0D-04\n RTOL( PINAL ) = 5.0D-04\n RTOL( HC10P ) = 5.0D-04\n RTOL( LIMAL ) = 5.0D-04\n RTOL( MEK ) = 5.0D-04\n RTOL( HKET ) = 5.0D-04\n RTOL( MACR ) = 5.0D-04\n RTOL( MACP ) = 5.0D-04\n RTOL( XO2 ) = 5.0D-04\n RTOL( MVK ) = 5.0D-04\n RTOL( GLY ) = 5.0D-04\n RTOL( MGLY ) = 5.0D-04\n RTOL( DCB1 ) = 5.0D-04\n RTOL( DCB2 ) = 5.0D-04\n RTOL( BALD ) = 5.0D-04\n RTOL( CHO ) = 5.0D-04\n RTOL( OP1 ) = 5.0D-04\n RTOL( OP2 ) = 5.0D-04\n RTOL( OPB ) = 5.0D-04\n RTOL( OP3 ) = 5.0D-04\n RTOL( PAA ) = 5.0D-04\n RTOL( ONIT ) = 5.0D-04\n RTOL( PAN ) = 5.0D-04\n RTOL( TRPN ) = 5.0D-04\n RTOL( HONIT ) = 5.0D-04\n RTOL( N2O5 ) = 5.0D-04\n RTOL( SO2 ) = 5.0D-04\n RTOL( SULF ) = 1.0D+00\n RTOL( SULRXN ) = 1.0D+00\n RTOL( ETH ) = 5.0D-04\n RTOL( HC3 ) = 5.0D-04\n RTOL( HC3P ) = 5.0D-04\n RTOL( ASOATJ ) = 5.0D-04\n RTOL( HC5 ) = 5.0D-04\n RTOL( HC5P ) = 5.0D-04\n RTOL( ETE ) = 5.0D-04\n RTOL( ETEP ) = 5.0D-04\n RTOL( OLT ) = 5.0D-04\n RTOL( OLTP ) = 5.0D-04\n RTOL( OLI ) = 5.0D-04\n RTOL( OLIP ) = 5.0D-04\n RTOL( ACE ) = 5.0D-04\n RTOL( ORA1 ) = 5.0D-04\n RTOL( BEN ) = 5.0D-04\n RTOL( BENP ) = 5.0D-04\n RTOL( PHEN ) = 5.0D-04\n RTOL( TOL ) = 5.0D-04\n RTOL( TOLP ) = 5.0D-04\n RTOL( CSL ) = 5.0D-04\n RTOL( XYL ) = 5.0D-04\n RTOL( XYLP ) = 5.0D-04\n RTOL( EBZ ) = 5.0D-04\n RTOL( EBZP ) = 5.0D-04\n RTOL( ISO ) = 5.0D-04\n RTOL( ISON ) = 5.0D-04\n RTOL( INO2 ) = 5.0D-04\n RTOL( ISOP ) = 5.0D-04\n RTOL( ISHP ) = 5.0D-04\n RTOL( IEPOX ) = 5.0D-04\n RTOL( IPX ) = 5.0D-04\n RTOL( INALD ) = 5.0D-04\n RTOL( ROH ) = 5.0D-04\n RTOL( API ) = 5.0D-04\n RTOL( APIP1 ) = 5.0D-04\n RTOL( APIP2 ) = 5.0D-04\n RTOL( LIM ) = 5.0D-04\n RTOL( LIMP1 ) = 5.0D-04\n RTOL( LIMP2 ) = 5.0D-04\n RTOL( PINALP ) = 5.0D-04\n RTOL( RCO3 ) = 5.0D-04\n RTOL( LIMALP ) = 5.0D-04\n RTOL( ACTP ) = 5.0D-04\n RTOL( MEKP ) = 5.0D-04\n RTOL( KETP ) = 5.0D-04\n RTOL( MCP ) = 5.0D-04\n RTOL( MVKP ) = 5.0D-04\n RTOL( UALP ) = 5.0D-04\n RTOL( DCB3 ) = 5.0D-04\n RTOL( BALP ) = 5.0D-04\n RTOL( ADDC ) = 5.0D-04\n RTOL( MCT ) = 5.0D-04\n RTOL( MCTO ) = 5.0D-04\n RTOL( MOH ) = 5.0D-04\n RTOL( EOH ) = 5.0D-04\n RTOL( ETEG ) = 5.0D-04\n RTOL( MAHP ) = 5.0D-04\n RTOL( ORA2 ) = 5.0D-04\n RTOL( ORAP ) = 5.0D-04\n RTOL( PPN ) = 5.0D-04\n RTOL( MPAN ) = 5.0D-04\n RTOL( MCTP ) = 5.0D-04\n RTOL( OLNN ) = 5.0D-04\n RTOL( OLND ) = 5.0D-04\n RTOL( APINP1 ) = 5.0D-04\n RTOL( APINP2 ) = 5.0D-04\n RTOL( LIMNP1 ) = 5.0D-04\n RTOL( LIMNP2 ) = 5.0D-04\n RTOL( ADCN ) = 5.0D-04\n RTOL( HOM ) = 5.0D-04\n RTOL( VROCP4OXY2 ) = 5.0D-04\n RTOL( VROCN1OXY6 ) = 5.0D-04\n RTOL( FURANONE ) = 5.0D-04\n RTOL( VROCP3OXY2 ) = 5.0D-04\n RTOL( VROCP0OXY4 ) = 5.0D-04\n RTOL( BAL1 ) = 5.0D-04\n RTOL( BAL2 ) = 5.0D-04\n RTOL( ELHOM ) = 5.0D-04\n RTOL( VROCIOXY ) = 5.0D-04\n RTOL( SLOWROC ) = 5.0D-04\n RTOL( ACRO ) = 5.0D-04\n RTOL( BDE13 ) = 5.0D-04\n RTOL( BDE13P ) = 5.0D-04\n RTOL( FURAN ) = 5.0D-04\n RTOL( FURANO2 ) = 5.0D-04\n RTOL( PROG ) = 5.0D-04\n RTOL( SESQ ) = 5.0D-04\n RTOL( SESQNRO2 ) = 5.0D-04\n RTOL( VROCN2OXY2 ) = 5.0D-04\n RTOL( SESQRO2 ) = 5.0D-04\n RTOL( VROCP0OXY2 ) = 5.0D-04\n RTOL( VROCP1OXY3 ) = 5.0D-04\n RTOL( AGLYJ ) = 5.0D-04\n RTOL( IEPOXP ) = 5.0D-04\n RTOL( AISO3NOSJ ) = 5.0D-04\n RTOL( ASO4J ) = 5.0D-04\n RTOL( AISO3OSJ ) = 5.0D-04\n RTOL( AISO4J ) = 5.0D-04\n RTOL( AISO5J ) = 5.0D-04\n RTOL( VROCP6ALK ) = 5.0D-04\n RTOL( VROCP6ALKP ) = 5.0D-04\n RTOL( VROCP5ALK ) = 5.0D-04\n RTOL( VROCP5ALKP ) = 5.0D-04\n RTOL( VROCP4ALK ) = 5.0D-04\n RTOL( VROCP4ALKP ) = 5.0D-04\n RTOL( VROCP3ALK ) = 5.0D-04\n RTOL( VROCP3ALKP ) = 5.0D-04\n RTOL( VROCP2ALK ) = 5.0D-04\n RTOL( VROCP2ALKP ) = 5.0D-04\n RTOL( VROCP1ALK ) = 5.0D-04\n RTOL( VROCP1ALKP ) = 5.0D-04\n RTOL( HC10 ) = 5.0D-04\n RTOL( VROCP6ALKP2 ) = 5.0D-04\n RTOL( VROCP5ALKP2 ) = 5.0D-04\n RTOL( VROCP4ALKP2 ) = 5.0D-04\n RTOL( VROCP2OXY2 ) = 5.0D-04\n RTOL( VROCP3ALKP2 ) = 5.0D-04\n RTOL( VROCP1OXY1 ) = 5.0D-04\n RTOL( VROCP2ALKP2 ) = 5.0D-04\n RTOL( VROCP1ALKP2 ) = 5.0D-04\n RTOL( VROCN1OXY1 ) = 5.0D-04\n RTOL( HC10P2 ) = 5.0D-04\n RTOL( VROCP6ARO ) = 5.0D-04\n RTOL( VROCP6AROP ) = 5.0D-04\n RTOL( VROCN2OXY4 ) = 5.0D-04\n RTOL( VROCN1OXY3 ) = 5.0D-04\n RTOL( VROCP5ARO ) = 5.0D-04\n RTOL( VROCP5AROP ) = 5.0D-04\n RTOL( NAPH ) = 5.0D-04\n RTOL( NAPHP ) = 5.0D-04\n RTOL( VROCN2OXY8 ) = 5.0D-04\n RTOL( VROCP5OXY1 ) = 5.0D-04\n RTOL( VROCP6OXY1 ) = 5.0D-04\n RTOL( ECH4 ) = 5.0D-04\n RTOL( ATRPNJ ) = 5.0D-04\n RTOL( AHOMJ ) = 5.0D-04\n RTOL( AHONITJ ) = 5.0D-04\n RTOL( STY ) = 5.0D-04\n RTOL( STYP ) = 5.0D-04\n\n\n RETURN\n\n END\n" }, { "path": "CCTM/src/gas/ebi_cracmm2/hrprodloss.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE HRPRODLOSS\n\nC***********************************************************************\nC\nC FUNCTION: To compute the production and loss rates for EBI species\nC\nC PRECONDITIONS: For the CRACMM2 mechanism\nC\nC RETURN VALUES: None\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Mar 15, 2024\nC\nC 18 Jul 14 B.Hutzell: revised to use real(8) variables\n\nC***********************************************************************\n USE HRDATA\n\n IMPLICIT NONE\n\n\nC.....INCLUDES: NONE\n\n\nC.....ARGUMENTS: NONE\n\n\nC.....PARAMETERS: NONE\n\n\nC.....EXTERNAL FUNCTIONS: NONE\n\n\nC.....SAVED VARIABLES: NONE\n! CHARACTER( 16 ), SAVE :: PNAME = 'HRPRODLOSS' ! Program name\n\n\nC.....LOCAL VARIABLES:\n\n\nC***********************************************************************\n\n\n PROD( H2O2 ) = RXRAT( 52 ) ! HO2+HO2=H2O2\n & + RXRAT( 53 ) ! HO2+HO2=H2O2\n & + 9.0000D-02 * RXRAT( 90 ) ! ISO+O3=0.9000D-01*H2O2+...\n & + 6.8000D-02 * RXRAT( 145 ) ! OLT+O3=0.6800D-01*H2O2+...\n & + 2.6000D-02 * RXRAT( 146 ) ! OLI+O3=0.2600D-01*H2O2+...\n & + 2.5500D-01 * RXRAT( 147 ) ! API+O3=0.2550D+00*H2O2+...\n & + 3.3000D-01 * RXRAT( 148 ) ! LIM+O3=0.3300D+00*H2O2+...\n & + 2.0000D-02 * RXRAT( 149 ) ! LIMAL+O3=0.2000D-01*H2O2+...\n LOSS( H2O2 ) = RXRAT( 3 ) ! H2O2=0.2000D+01*HO\n & + RXRAT( 54 ) ! H2O2+HO=HO2\n\n PROD( HNO3 ) = RXRAT( 58 ) ! NO+HO2=HNO3\n & + RXRAT( 63 ) ! NO2+HO=HNO3\n & + 3.0000D-01 * RXRAT( 66 ) ! NO3+HO2=0.3000D+00*HNO3+...\n & + 2.0000D+00 * RXRAT( 72 ) ! N2O5=0.2000D+01*HNO3\n & + RXRAT( 101 ) ! ISON=HNO3+ROH\n & + RXRAT( 164 ) ! HCHO+NO3=HNO3+CO+HO2\n & + RXRAT( 165 ) ! ACD+NO3=HNO3+ACO3\n & + RXRAT( 166 ) ! ALD+NO3=HNO3+RCO3\n & + 3.2000D-01 * RXRAT( 167 ) ! MACR+NO3=0.3200D+00*HNO3+...\n & + RXRAT( 169 ) ! GLY+NO3=HNO3+0.2000D+01*CO+HO2\n & + RXRAT( 170 ) ! MGLY+NO3=HNO3+CO+ACO3\n & + 4.2400D-01 * RXRAT( 171 ) ! PHEN+NO3=0.4240D+00*HNO3+...\n & + 4.0000D-01 * RXRAT( 172 ) ! CSL+NO3=0.4000D+00*HNO3+...\n & + RXRAT( 173 ) ! MCT+NO3=HNO3+MCTO\n & + 3.2000D-01 * RXRAT( 395 ) ! ACRO+NO3=0.3200D+00*HNO3+...\n & + 2.0000D+00 * RXRAT( 423 ) ! N2O5=0.2000D+01*HNO3\n & + 5.0000D-01 * RXRAT( 424 ) ! NO2=0.5000D+00*HNO3+...\n & + RXRAT( 426 ) ! NO3=HNO3\n & + RXRAT( 432 ) ! INALD=HNO3+AISO5J\n & + RXRAT( 524 ) ! ATRPNJ=HNO3+AHOMJ\n & + RXRAT( 525 ) ! AHONITJ=HNO3+AHOMJ\n LOSS( HNO3 ) = RXRAT( 8 ) ! HNO3=HO+NO2\n & + RXRAT( 64 ) ! HNO3+HO=NO3\n\n PROD( HCHO ) = 3.5000D-01 * RXRAT( 16 ) ! UALD=0.3500D+00*HCHO+...\n & + RXRAT( 21 ) ! HKET=HCHO+ACO3+HO2\n & + 6.7000D-01 * RXRAT( 22 ) ! MACR=0.6700D+00*HCHO+...\n & + RXRAT( 25 ) ! GLY=HCHO+CO\n & + RXRAT( 31 ) ! OP1=HCHO+HO2+HO\n & + RXRAT( 90 ) ! ISO+O3=HCHO+0.2500D+00*HO2+...\n & + 3.5000D-01 * RXRAT( 91 ) ! ISO+NO3=0.3500D+00*HCHO+...\n & + 2.5000D-01 * RXRAT( 92 ) ! ISO+HO=0.2500D+00*HCHO+...\n & + 4.0000D-01 * RXRAT( 94 ) ! ISOP+NO=0.4000D+00*HCHO+...\n & + 2.0000D-01 * RXRAT( 98 ) ! INO2+NO=0.2000D+00*HCHO+...\n & + RXRAT( 100 ) ! HO+INALD=HCHO+NO2+0.3000D+...\n & + RXRAT( 126 ) ! MOH+HO=HCHO+HO2\n & + 3.5000D-01 * RXRAT( 130 ) ! OP1+HO=0.3500D+00*HCHO+...\n & + 3.5000D-01 * RXRAT( 137 ) ! PAA+HO=0.3500D+00*HCHO+...\n & + RXRAT( 138 ) ! PAN+HO=HCHO+NO3+XO2\n & + RXRAT( 139 ) ! PPN+HO=HCHO+NO3+XO2\n & + 2.1000D-01 * RXRAT( 142 ) ! TRPN+HO=0.2100D+00*HCHO+...\n & + RXRAT( 144 ) ! ETE+O3=HCHO+0.1500D+00*HO2+...\n & + 5.6000D-01 * RXRAT( 145 ) ! OLT+O3=0.5600D+00*HCHO+...\n & + 9.0000D-02 * RXRAT( 146 ) ! OLI+O3=0.9000D-01*HCHO+...\n & + 4.5900D-01 * RXRAT( 147 ) ! API+O3=0.4590D+00*HCHO+...\n & + 3.3000D-01 * RXRAT( 148 ) ! LIM+O3=0.3300D+00*HCHO+...\n & + 6.2000D-01 * RXRAT( 149 ) ! LIMAL+O3=0.6200D+00*HCHO+...\n & + 2.1000D-01 * RXRAT( 150 ) ! TRPN+O3=0.2100D+00*HCHO+...\n & + 1.0000D-01 * RXRAT( 152 ) ! MVK+O3=0.1000D+00*HCHO+...\n & + 8.0000D-02 * RXRAT( 153 ) ! UALD+O3=0.8000D-01*HCHO+...\n & + 5.0000D-02 * RXRAT( 154 ) ! DCB1+O3=0.5000D-01*HCHO+...\n & + 5.0000D-02 * RXRAT( 155 ) ! DCB2+O3=0.5000D-01*HCHO+...\n & + 2.1000D-01 * RXRAT( 163 ) ! TRPN+NO3=0.2100D+00*HCHO+...\n & + 6.8000D-01 * RXRAT( 167 ) ! MACR+NO3=0.6800D+00*HCHO+...\n & + 3.3200D-01 * RXRAT( 168 ) ! UALD+NO3=0.3320D+00*HCHO+...\n & + RXRAT( 183 ) ! MO2+NO=HCHO+NO2+HO2\n & + 1.8000D-02 * RXRAT( 186 ) ! HC5P+NO=0.1800D-01*HCHO+...\n & + 1.6000D+00 * RXRAT( 187 ) ! ETEP+NO=0.1600D+01*HCHO+...\n & + 7.8000D-01 * RXRAT( 188 ) ! OLTP+NO=0.7800D+00*HCHO+...\n & + 3.0800D-01 * RXRAT( 194 ) ! APIP1+NO=0.3080D+00*HCHO+...\n & + 7.0000D-03 * RXRAT( 196 ) ! APINP1+NO=0.7000D-02*HCHO+...\n & + 4.3000D-01 * RXRAT( 198 ) ! LIMP1+NO=0.4300D+00*HCHO+...\n & + 3.6000D-01 * RXRAT( 203 ) ! LIMALP+NO=0.3600D+00*HCHO+...\n & + RXRAT( 206 ) ! ACTP+NO=HCHO+NO2+ACO3\n & + 3.3000D-01 * RXRAT( 207 ) ! MEKP+NO=0.3300D+00*HCHO+...\n & + 6.5000D-01 * RXRAT( 209 ) ! MACP+NO=0.6500D+00*HCHO+...\n & + 5.0000D-01 * RXRAT( 210 ) ! MCP+NO=0.5000D+00*HCHO+...\n & + 3.0000D-01 * RXRAT( 211 ) ! MVKP+NO=0.3000D+00*HCHO+...\n & + 3.0000D-02 * RXRAT( 212 ) ! UALP+NO=0.3000D-01*HCHO+...\n & + 2.8700D-01 * RXRAT( 219 ) ! OLND+NO=0.2870D+00*HCHO+...\n & + 6.2500D-02 * RXRAT( 236 ) ! APIP1+HO2=0.6250D-01*HCHO+...\n & + 7.0000D-03 * RXRAT( 238 ) ! APINP1+HO2=0.7000D-02*HCHO+...\n & + 6.0000D-02 * RXRAT( 240 ) ! LIMP1+HO2=0.6000D-01*HCHO+...\n & + 1.0000D-01 * RXRAT( 245 ) ! LIMALP+HO2=0.1000D+00*HCHO+...\n & + 1.5000D-01 * RXRAT( 248 ) ! ACTP+HO2=0.1500D+00*HCHO+...\n & + 1.3700D+00 * RXRAT( 263 ) ! MO2+MO2=0.1370D+01*HCHO+...\n & + 7.5000D-01 * RXRAT( 264 ) ! ETHP+MO2=0.7500D+00*HCHO+...\n & + 8.2700D-01 * RXRAT( 265 ) ! HC3P+MO2=0.8270D+00*HCHO+...\n & + 7.7700D-01 * RXRAT( 266 ) ! HC5P+MO2=0.7770D+00*HCHO+...\n & + 1.9500D+00 * RXRAT( 267 ) ! ETEP+MO2=0.1950D+01*HCHO+...\n & + 1.5000D+00 * RXRAT( 268 ) ! OLTP+MO2=0.1500D+01*HCHO+...\n & + 7.5000D-01 * RXRAT( 269 ) ! OLIP+MO2=0.7500D+00*HCHO+...\n & + 6.8000D-01 * RXRAT( 270 ) ! BENP+MO2=0.6800D+00*HCHO+...\n & + 6.8000D-01 * RXRAT( 271 ) ! TOLP+MO2=0.6800D+00*HCHO+...\n & + 6.8000D-01 * RXRAT( 272 ) ! XYLP+MO2=0.6800D+00*HCHO+...\n & + 6.8000D-01 * RXRAT( 273 ) ! EBZP+MO2=0.6800D+00*HCHO+...\n & + 1.3100D+00 * RXRAT( 274 ) ! ISOP+MO2=0.1310D+01*HCHO+...\n & + 1.0295D+00 * RXRAT( 275 ) ! APIP1+MO2=0.1030D+01*HCHO+...\n & + 7.5000D-01 * RXRAT( 276 ) ! APIP2+MO2=0.7500D+00*HCHO+...\n & + 9.6400D-01 * RXRAT( 277 ) ! APINP1+MO2=0.9640D+00*HCHO+...\n & + 7.5000D-01 * RXRAT( 278 ) ! APINP2+MO2=0.7500D+00*HCHO+...\n & + 1.0300D+00 * RXRAT( 279 ) ! LIMP1+MO2=0.1030D+01*HCHO+...\n & + 7.5000D-01 * RXRAT( 280 ) ! LIMP2+MO2=0.7500D+00*HCHO+...\n & + 9.1000D-01 * RXRAT( 281 ) ! LIMNP1+MO2=0.9100D+00*HCHO+...\n & + 7.5000D-01 * RXRAT( 282 ) ! LIMNP2+MO2=0.7500D+00*HCHO+...\n & + RXRAT( 283 ) ! ACO3+MO2=HCHO+0.9000D+...\n & + RXRAT( 284 ) ! RCO3+MO2=HCHO+0.9000D+...\n & + 1.5000D+00 * RXRAT( 285 ) ! ACTP+MO2=0.1500D+01*HCHO+...\n & + RXRAT( 286 ) ! MEKP+MO2=HCHO+0.8340D+...\n & + 7.5000D-01 * RXRAT( 287 ) ! KETP+MO2=0.7500D+00*HCHO+...\n & + 1.6600D+00 * RXRAT( 288 ) ! MACP+MO2=0.1660D+01*HCHO+...\n & + 1.5000D+00 * RXRAT( 289 ) ! MCP+MO2=0.1500D+01*HCHO+...\n & + 1.5000D+00 * RXRAT( 290 ) ! MVKP+MO2=0.1500D+01*HCHO+...\n & + 7.7300D-01 * RXRAT( 291 ) ! UALP+MO2=0.7730D+00*HCHO+...\n & + RXRAT( 292 ) ! BALP+MO2=HCHO+BAL1+HO2\n & + RXRAT( 293 ) ! BAL1+MO2=HCHO+BAL2+HO2\n & + RXRAT( 294 ) ! ADDC+MO2=HCHO+0.2000D+...\n & + RXRAT( 295 ) ! MCTP+MO2=HCHO+MCTO+HO2\n & + RXRAT( 296 ) ! ORAP+MO2=HCHO+HO2+GLY\n & + RXRAT( 297 ) ! OLNN+MO2=HCHO+0.2000D+...\n & + 9.6500D-01 * RXRAT( 298 ) ! OLND+MO2=0.9650D+00*HCHO+...\n & + RXRAT( 299 ) ! ADCN+MO2=HCHO+0.7000D+...\n & + RXRAT( 300 ) ! XO2+MO2=HCHO+HO2\n & + 1.3000D-01 * RXRAT( 302 ) ! HC3P+ACO3=0.1300D+00*HCHO+...\n & + 4.2000D-02 * RXRAT( 303 ) ! HC5P+ACO3=0.4200D-01*HCHO+...\n & + 1.6000D+00 * RXRAT( 304 ) ! ETEP+ACO3=0.1600D+01*HCHO+...\n & + RXRAT( 305 ) ! OLTP+ACO3=HCHO+0.5000D+...\n & + 1.0480D+00 * RXRAT( 311 ) ! ISOP+ACO3=0.1048D+01*HCHO+...\n & + 4.0300D-01 * RXRAT( 312 ) ! APIP1+ACO3=0.4030D+00*HCHO+...\n & + 7.0000D-03 * RXRAT( 314 ) ! APINP1+ACO3=0.7000D-...\n & + 5.6000D-01 * RXRAT( 316 ) ! LIMP1+ACO3=0.5600D+00*HCHO+...\n & + RXRAT( 322 ) ! ACTP+ACO3=HCHO+0.5000D+...\n & + 3.3000D-01 * RXRAT( 323 ) ! MEKP+ACO3=0.3300D+00*HCHO+...\n & + RXRAT( 325 ) ! MACP+ACO3=HCHO+0.5000D+...\n & + RXRAT( 326 ) ! MCP+ACO3=HCHO+0.5000D+...\n & + RXRAT( 327 ) ! MVKP+ACO3=HCHO+0.5000D+...\n & + 3.0000D-02 * RXRAT( 328 ) ! UALP+ACO3=0.3000D-01*HCHO+...\n & + 2.8700D-01 * RXRAT( 335 ) ! OLND+ACO3=0.2870D+00*HCHO+...\n & + RXRAT( 339 ) ! MO2+NO3=HCHO+HO2+NO2\n & + 2.4000D-02 * RXRAT( 342 ) ! HC5P+NO3=0.2400D-01*HCHO+...\n & + 1.6000D+00 * RXRAT( 343 ) ! ETEP+NO3=0.1600D+01*HCHO+...\n & + 7.9000D-01 * RXRAT( 344 ) ! OLTP+NO3=0.7900D+00*HCHO+...\n & + 7.5000D-01 * RXRAT( 350 ) ! ISOP+NO3=0.7500D+00*HCHO+...\n & + 4.0300D-01 * RXRAT( 351 ) ! APIP1+NO3=0.4030D+00*HCHO+...\n & + 5.6000D-01 * RXRAT( 352 ) ! LIMP1+NO3=0.5600D+00*HCHO+...\n & + 7.0000D-03 * RXRAT( 353 ) ! APINP1+NO3=0.7000D-02*HCHO+...\n & + RXRAT( 357 ) ! ACTP+NO3=HCHO+NO2+ACO3\n & + 3.3000D-01 * RXRAT( 358 ) ! MEKP+NO3=0.3300D+00*HCHO+...\n & + RXRAT( 360 ) ! MACP+NO3=HCHO+0.5380D+...\n & + RXRAT( 361 ) ! MCP+NO3=HCHO+HO2+NO2+HKET\n & + 3.0000D-01 * RXRAT( 362 ) ! MVKP+NO3=0.3000D+00*HCHO+...\n & + 3.0000D-02 * RXRAT( 363 ) ! UALP+NO3=0.3000D-01*HCHO+...\n & + 2.8700D-01 * RXRAT( 370 ) ! OLND+NO3=0.2870D+00*HCHO+...\n & + 2.0200D-01 * RXRAT( 373 ) ! OLNN+OLND=0.2020D+00*HCHO+...\n & + 5.0400D-01 * RXRAT( 374 ) ! OLND+OLND=0.5040D+00*HCHO+...\n & + 4.8000D-01 * RXRAT( 380 ) ! APIP2+ISOP=0.4800D+00*HCHO+...\n & + 4.8000D-01 * RXRAT( 383 ) ! LIMP2+ISOP=0.4800D+00*HCHO+...\n & + 4.8000D-01 * RXRAT( 386 ) ! APINP2+ISOP=0.4800D+...\n & + 4.8000D-01 * RXRAT( 389 ) ! LIMNP2+ISOP=0.4800D+...\n & + 7.2000D-01 * RXRAT( 394 ) ! ACRO+O3=0.7200D+00*HCHO+...\n & + 6.8000D-01 * RXRAT( 395 ) ! ACRO+NO3=0.6800D+00*HCHO+...\n & + 1.5000D-01 * RXRAT( 396 ) ! ACRO=0.1500D+00*HCHO+...\n & + 8.9500D-01 * RXRAT( 398 ) ! BDE13P+NO=0.8950D+00*HCHO+...\n & + 9.2500D-01 * RXRAT( 399 ) ! BDE13P+NO3=0.9250D+00*HCHO+...\n & + 1.1430D+00 * RXRAT( 401 ) ! BDE13P+MO2=0.1143D+01*HCHO+...\n & + 7.4000D-01 * RXRAT( 402 ) ! BDE13P+ACO3=0.7400D+...\n & + 8.3000D-01 * RXRAT( 403 ) ! BDE13+O3=0.8300D+00*HCHO+...\n & + 6.8000D-01 * RXRAT( 493 ) ! VROCP6AROP+MO2=0.6800D+...\n & + 6.8000D-01 * RXRAT( 499 ) ! VROCP5AROP+MO2=0.6800D+...\n & + 6.8000D-01 * RXRAT( 505 ) ! NAPHP+MO2=0.6800D+00*HCHO+...\n & + RXRAT( 528 ) ! STYP+NO=HCHO+HO2+NO2+BALD\n & + RXRAT( 529 ) ! STYP+NO3=HCHO+HO2+NO2+BALD\n & + 1.6800D+00 * RXRAT( 530 ) ! STYP+MO2=0.1680D+01*HCHO+...\n & + RXRAT( 531 ) ! STYP+ACO3=HCHO+HO2+BALD+...\n LOSS( HCHO ) = RXRAT( 10 ) ! HCHO=CO\n & + RXRAT( 11 ) ! HCHO=0.2000D+01*HO2+CO\n & + RXRAT( 107 ) ! HCHO+HO=HO2+CO\n & + RXRAT( 164 ) ! HCHO+NO3=HO2+CO+HNO3\n\n PROD( CO ) = RXRAT( 10 ) ! HCHO=CO\n & + RXRAT( 11 ) ! HCHO=CO+0.2000D+01*HO2\n & + RXRAT( 12 ) ! ACD=CO+MO2+HO2\n & + RXRAT( 13 ) ! ALD=CO+ETHP+HO2\n & + RXRAT( 15 ) ! ACT=CO+0.2000D+01*MO2\n & + 1.2200D+00 * RXRAT( 16 ) ! UALD=0.1220D+01*CO+0.7840D+...\n & + RXRAT( 17 ) ! PINAL=CO+HC10P+HO2\n & + RXRAT( 18 ) ! LIMAL=CO+HC10P+HO2\n & + 1.0000D-01 * RXRAT( 19 ) ! MEK=0.1000D+00*CO+ETHP+...\n & + 5.0000D-01 * RXRAT( 20 ) ! KET=0.5000D+00*CO+0.5000D+...\n & + 6.7000D-01 * RXRAT( 22 ) ! MACR=0.6700D+00*CO+0.6600D+...\n & + 7.0000D-01 * RXRAT( 23 ) ! MVK=0.7000D+00*CO+0.3000D+...\n & + 2.0000D+00 * RXRAT( 24 ) ! GLY=0.2000D+01*CO\n & + RXRAT( 25 ) ! GLY=CO+HCHO\n & + 2.0000D+00 * RXRAT( 26 ) ! GLY=0.2000D+01*CO+0.2000D+...\n & + RXRAT( 27 ) ! MGLY=CO+ACO3+HO2\n & + RXRAT( 28 ) ! DCB1=CO+0.2500D+00*ACO3+...\n & + RXRAT( 29 ) ! DCB2=CO+0.2500D+00*ACO3+...\n & + RXRAT( 30 ) ! BALD=CO+HO2+CHO\n & + 3.5000D-01 * RXRAT( 85 ) ! ACE+HO=0.3500D+00*CO+...\n & + 2.2000D-01 * RXRAT( 90 ) ! ISO+O3=0.2200D+00*CO+...\n & + RXRAT( 96 ) ! ISHP+HO=CO+0.2000D-01*GLY+...\n & + RXRAT( 100 ) ! HO+INALD=CO+NO2+0.3000D+...\n & + RXRAT( 107 ) ! HCHO+HO=CO+HO2\n & + 2.0000D+00 * RXRAT( 117 ) ! GLY+HO=0.2000D+01*CO+HO2\n & + RXRAT( 118 ) ! MGLY+HO=CO+ACO3\n & + 3.3000D-01 * RXRAT( 119 ) ! DCB1+HO=0.3300D+00*CO+...\n & + 3.3000D-01 * RXRAT( 120 ) ! DCB2+HO=0.3300D+00*CO+...\n & + 1.1000D-01 * RXRAT( 121 ) ! DCB3+HO=0.1100D+00*CO+...\n & + 4.3000D-01 * RXRAT( 144 ) ! ETE+O3=0.4300D+00*CO+...\n & + 4.3000D-01 * RXRAT( 145 ) ! OLT+O3=0.4300D+00*CO+...\n & + 3.7000D-01 * RXRAT( 146 ) ! OLI+O3=0.3700D+00*CO+...\n & + 1.1050D-01 * RXRAT( 147 ) ! API+O3=0.1105D+00*CO+...\n & + 2.2000D-01 * RXRAT( 151 ) ! MACR+O3=0.2200D+00*CO+...\n & + 5.6000D-01 * RXRAT( 152 ) ! MVK+O3=0.5600D+00*CO+...\n & + 2.4300D-01 * RXRAT( 153 ) ! UALD+O3=0.2430D+00*CO+...\n & + 1.5000D+00 * RXRAT( 154 ) ! DCB1+O3=0.1500D+01*CO+HO2+...\n & + 1.5000D+00 * RXRAT( 155 ) ! DCB2+O3=0.1500D+01*CO+HO2+...\n & + 1.5000D+00 * RXRAT( 156 ) ! DCB3+O3=0.1500D+01*CO+HO2+...\n & + RXRAT( 164 ) ! HCHO+NO3=CO+HO2+HNO3\n & + 6.6800D-01 * RXRAT( 168 ) ! UALD+NO3=0.6680D+00*CO+XO2+...\n & + 2.0000D+00 * RXRAT( 169 ) ! GLY+NO3=0.2000D+01*CO+HO2+HNO3\n & + RXRAT( 170 ) ! MGLY+NO3=CO+ACO3+HNO3\n & + 6.5000D-01 * RXRAT( 209 ) ! MACP+NO=0.6500D+00*CO+...\n & + 6.1000D-01 * RXRAT( 212 ) ! UALP+NO=0.6100D+00*CO+NO2+...\n & + 5.0000D-01 * RXRAT( 288 ) ! MACP+MO2=0.5000D+00*CO+...\n & + 3.0500D-01 * RXRAT( 291 ) ! UALP+MO2=0.3050D+00*CO+HO2+...\n & + 5.0000D-01 * RXRAT( 325 ) ! MACP+ACO3=0.5000D+00*CO+...\n & + 5.0000D-01 * RXRAT( 328 ) ! UALP+ACO3=0.5000D+00*CO+...\n & + RXRAT( 360 ) ! MACP+NO3=CO+0.5380D+...\n & + 6.1000D-01 * RXRAT( 363 ) ! UALP+NO3=0.6100D+00*CO+NO2+...\n & + 8.4000D-01 * RXRAT( 394 ) ! ACRO+O3=0.8400D+00*CO+...\n & + RXRAT( 396 ) ! ACRO=CO+0.4770D+00*HO2+...\n & + 6.3000D-01 * RXRAT( 403 ) ! BDE13+O3=0.6300D+00*CO+...\n & + 4.3000D-01 * RXRAT( 408 ) ! FURANONE+HO=0.4300D+00*CO+...\n LOSS( CO ) = RXRAT( 77 ) ! CO+HO=HO2\n\n PROD( ACD ) = RXRAT( 127 ) ! EOH+HO=ACD+HO2\n & + 1.8400D-01 * RXRAT( 128 ) ! ROH+HO=0.1840D+00*ACD+...\n & + 1.0000D-02 * RXRAT( 145 ) ! OLT+O3=0.1000D-01*ACD+...\n & + 4.5700D-01 * RXRAT( 146 ) ! OLI+O3=0.4570D+00*ACD+...\n & + 4.2000D-01 * RXRAT( 153 ) ! UALD+O3=0.4200D+00*ACD+...\n & + RXRAT( 184 ) ! ETHP+NO=ACD+NO2+HO2\n & + 5.0400D-01 * RXRAT( 185 ) ! HC3P+NO=0.5040D+00*ACD+...\n & + 4.5000D-02 * RXRAT( 186 ) ! HC5P+NO=0.4500D-01*ACD+...\n & + 1.2000D-02 * RXRAT( 188 ) ! OLTP+NO=0.1200D-01*ACD+...\n & + 8.1000D-01 * RXRAT( 189 ) ! OLIP+NO=0.8100D+00*ACD+...\n & + 7.5000D-01 * RXRAT( 264 ) ! ETHP+MO2=0.7500D+00*ACD+...\n & + RXRAT( 301 ) ! ETHP+ACO3=ACD+0.5000D+...\n & + RXRAT( 340 ) ! ETHP+NO3=ACD+NO2+HO2\n & + 5.1900D-01 * RXRAT( 341 ) ! HC3P+NO3=0.5190D+00*ACD+...\n & + 4.8000D-02 * RXRAT( 342 ) ! HC5P+NO3=0.4800D-01*ACD+...\n & + 2.0000D-02 * RXRAT( 344 ) ! OLTP+NO3=0.2000D-01*ACD+...\n & + 8.5000D-01 * RXRAT( 345 ) ! OLIP+NO3=0.8500D+00*ACD+...\n & + 2.5810D-01 * RXRAT( 507 ) ! VROCN2OXY8+HO=0.2581D+...\n & + 7.9400D-02 * RXRAT( 508 ) ! VROCN2OXY4+HO=0.7940D-...\n & + 3.9000D-02 * RXRAT( 509 ) ! VROCN2OXY2+HO=0.3900D-...\n & + 1.8400D-01 * RXRAT( 510 ) ! VROCN1OXY6+HO=0.1840D+...\n & + 6.4600D-02 * RXRAT( 511 ) ! VROCN1OXY3+HO=0.6460D-...\n & + 2.4400D-02 * RXRAT( 512 ) ! VROCN1OXY1+HO=0.2440D-...\n & + 1.0680D-01 * RXRAT( 513 ) ! VROCP0OXY4+HO=0.1068D+...\n & + 4.4500D-02 * RXRAT( 514 ) ! VROCP0OXY2+HO=0.4450D-...\n & + 8.1800D-02 * RXRAT( 515 ) ! VROCP1OXY3+HO=0.8180D-...\n & + 2.9700D-02 * RXRAT( 516 ) ! VROCP1OXY1+HO=0.2970D-...\n & + 6.2800D-02 * RXRAT( 517 ) ! VROCP2OXY2+HO=0.6280D-...\n & + 6.9800D-02 * RXRAT( 518 ) ! VROCP3OXY2+HO=0.6980D-...\n & + 7.8600D-02 * RXRAT( 519 ) ! VROCP4OXY2+HO=0.7860D-...\n & + 5.2600D-02 * RXRAT( 520 ) ! VROCP5OXY1+HO=0.5260D-...\n & + 5.7100D-02 * RXRAT( 521 ) ! VROCP6OXY1+HO=0.5710D-...\n & + 2.2660D-01 * RXRAT( 522 ) ! OP3+HO=0.2266D+00*ACD+...\n LOSS( ACD ) = RXRAT( 12 ) ! ACD=HO2+MO2+CO\n & + RXRAT( 108 ) ! ACD+HO=ACO3\n & + RXRAT( 165 ) ! ACD+NO3=ACO3+HNO3\n\n PROD( MO2 ) = RXRAT( 12 ) ! ACD=MO2+HO2+CO\n & + RXRAT( 14 ) ! ACT=MO2+ACO3\n & + 2.0000D+00 * RXRAT( 15 ) ! ACT=0.2000D+01*MO2+CO\n & + 1.0000D-01 * RXRAT( 19 ) ! MEK=0.1000D+00*MO2+ETHP+...\n & + 3.0000D-01 * RXRAT( 23 ) ! MVK=0.3000D+00*MO2+0.3000D+...\n & + RXRAT( 35 ) ! PAA=MO2+HO\n & + RXRAT( 38 ) ! PAN=MO2+NO3\n & + RXRAT( 78 ) ! HO=MO2\n & + 4.0000D-01 * RXRAT( 90 ) ! ISO+O3=0.4000D+00*MO2+...\n & + 6.5000D-01 * RXRAT( 130 ) ! OP1+HO=0.6500D+00*MO2+...\n & + 6.4000D-01 * RXRAT( 136 ) ! ORA2+HO=0.6400D+00*MO2+...\n & + 8.0000D-02 * RXRAT( 145 ) ! OLT+O3=0.8000D-01*MO2+...\n & + 3.2000D-01 * RXRAT( 146 ) ! OLI+O3=0.3200D+00*MO2+...\n & + 8.0000D-03 * RXRAT( 153 ) ! UALD+O3=0.8000D-02*MO2+...\n & + 1.3100D-01 * RXRAT( 185 ) ! HC3P+NO=0.1310D+00*MO2+...\n & + 5.1000D-02 * RXRAT( 186 ) ! HC5P+NO=0.5100D-01*MO2+...\n & + RXRAT( 204 ) ! ACO3+NO=MO2+NO2\n & + 6.5000D-01 * RXRAT( 209 ) ! MACP+NO=0.6500D+00*MO2+...\n & + 4.4000D-01 * RXRAT( 246 ) ! ACO3+HO2=0.4400D+00*MO2+...\n & + 5.0000D-01 * RXRAT( 301 ) ! ETHP+ACO3=0.5000D+00*MO2+...\n & + 5.8000D-01 * RXRAT( 302 ) ! HC3P+ACO3=0.5800D+00*MO2+...\n & + 5.1800D-01 * RXRAT( 303 ) ! HC5P+ACO3=0.5180D+00*MO2+...\n & + 5.0000D-01 * RXRAT( 304 ) ! ETEP+ACO3=0.5000D+00*MO2+...\n & + 5.0000D-01 * RXRAT( 305 ) ! OLTP+ACO3=0.5000D+00*MO2+...\n & + 5.0000D-01 * RXRAT( 306 ) ! OLIP+ACO3=0.5000D+00*MO2+...\n & + 7.0000D-01 * RXRAT( 307 ) ! BENP+ACO3=0.7000D+00*MO2+...\n & + 7.0000D-01 * RXRAT( 308 ) ! TOLP+ACO3=0.7000D+00*MO2+...\n & + 7.0000D-01 * RXRAT( 309 ) ! XYLP+ACO3=0.7000D+00*MO2+...\n & + 7.0000D-01 * RXRAT( 310 ) ! EBZP+ACO3=0.7000D+00*MO2+...\n & + 5.0000D-01 * RXRAT( 311 ) ! ISOP+ACO3=0.5000D+00*MO2+...\n & + RXRAT( 312 ) ! APIP1+ACO3=MO2+0.3710D+...\n & + 5.0000D-01 * RXRAT( 313 ) ! APIP2+ACO3=0.5000D+00*MO2+...\n & + RXRAT( 314 ) ! APINP1+ACO3=MO2+0.6500D+...\n & + 5.0000D-01 * RXRAT( 315 ) ! APINP2+ACO3=0.5000D+00*MO2+...\n & + RXRAT( 316 ) ! LIMP1+ACO3=MO2+0.5600D+...\n & + 5.0000D-01 * RXRAT( 317 ) ! LIMP2+ACO3=0.5000D+00*MO2+...\n & + RXRAT( 318 ) ! LIMNP1+ACO3=MO2+0.4600D+...\n & + 5.0000D-01 * RXRAT( 319 ) ! LIMNP2+ACO3=0.5000D+00*MO2+...\n & + 2.0000D+00 * RXRAT( 320 ) ! ACO3+ACO3=0.2000D+01*MO2\n & + RXRAT( 321 ) ! RCO3+ACO3=MO2+ETHP\n & + 5.0000D-01 * RXRAT( 322 ) ! ACTP+ACO3=0.5000D+00*MO2+...\n & + 5.0000D-01 * RXRAT( 323 ) ! MEKP+ACO3=0.5000D+00*MO2+...\n & + 5.0000D-01 * RXRAT( 324 ) ! KETP+ACO3=0.5000D+00*MO2+...\n & + 5.0000D-01 * RXRAT( 325 ) ! MACP+ACO3=0.5000D+00*MO2+...\n & + 5.0000D-01 * RXRAT( 326 ) ! MCP+ACO3=0.5000D+00*MO2+...\n & + 5.0000D-01 * RXRAT( 327 ) ! MVKP+ACO3=0.5000D+00*MO2+...\n & + 5.0000D-01 * RXRAT( 328 ) ! UALP+ACO3=0.5000D+00*MO2+...\n & + RXRAT( 329 ) ! BALP+ACO3=MO2+BAL1\n & + RXRAT( 330 ) ! BAL1+ACO3=MO2+BAL2\n & + RXRAT( 331 ) ! ADDC+ACO3=MO2+0.2000D+...\n & + RXRAT( 332 ) ! MCTP+ACO3=MO2+HO2+MCTO\n & + RXRAT( 333 ) ! ORAP+ACO3=MO2+GLY\n & + RXRAT( 334 ) ! OLNN+ACO3=MO2+HO2+ONIT\n & + 5.0000D-01 * RXRAT( 335 ) ! OLND+ACO3=0.5000D+00*MO2+...\n & + RXRAT( 336 ) ! ADCN+ACO3=MO2+HO2+0.7000D+...\n & + RXRAT( 337 ) ! XO2+ACO3=MO2\n & + 1.4000D-01 * RXRAT( 341 ) ! HC3P+NO3=0.1400D+00*MO2+...\n & + 5.5000D-02 * RXRAT( 342 ) ! HC5P+NO3=0.5500D-01*MO2+...\n & + RXRAT( 355 ) ! ACO3+NO3=MO2+NO2\n & + 2.7000D-02 * RXRAT( 396 ) ! ACRO=0.2700D-01*MO2+...\n & + 7.0000D-01 * RXRAT( 402 ) ! BDE13P+ACO3=0.7000D+00*MO2+...\n & + 1.7000D-01 * RXRAT( 406 ) ! FURANO2+NO=0.1700D+00*MO2+...\n & + 8.0000D-02 * RXRAT( 407 ) ! FURANO2+HO2=0.8000D-01*MO2+...\n & + 3.4000D-01 * RXRAT( 408 ) ! FURANONE+HO=0.3400D+00*MO2+...\n & + 7.0000D-01 * RXRAT( 494 ) ! VROCP6AROP+ACO3=0.7000D+...\n & + 7.0000D-01 * RXRAT( 500 ) ! VROCP5AROP+ACO3=0.7000D+...\n & + 7.0000D-01 * RXRAT( 506 ) ! NAPHP+ACO3=0.7000D+00*MO2+...\n & + 2.5810D-01 * RXRAT( 507 ) ! VROCN2OXY8+HO=0.2581D+...\n & + 7.9400D-02 * RXRAT( 508 ) ! VROCN2OXY4+HO=0.7940D-...\n & + 3.9000D-02 * RXRAT( 509 ) ! VROCN2OXY2+HO=0.3900D-...\n & + 1.8400D-01 * RXRAT( 510 ) ! VROCN1OXY6+HO=0.1840D+...\n & + 6.4600D-02 * RXRAT( 511 ) ! VROCN1OXY3+HO=0.6460D-...\n & + 2.4400D-02 * RXRAT( 512 ) ! VROCN1OXY1+HO=0.2440D-...\n & + 1.0680D-01 * RXRAT( 513 ) ! VROCP0OXY4+HO=0.1068D+...\n & + 4.4500D-02 * RXRAT( 514 ) ! VROCP0OXY2+HO=0.4450D-...\n & + 8.1800D-02 * RXRAT( 515 ) ! VROCP1OXY3+HO=0.8180D-...\n & + 2.9700D-02 * RXRAT( 516 ) ! VROCP1OXY1+HO=0.2970D-...\n & + 6.2800D-02 * RXRAT( 517 ) ! VROCP2OXY2+HO=0.6280D-...\n & + 6.9800D-02 * RXRAT( 518 ) ! VROCP3OXY2+HO=0.6980D-...\n & + 7.8600D-02 * RXRAT( 519 ) ! VROCP4OXY2+HO=0.7860D-...\n & + 5.2600D-02 * RXRAT( 520 ) ! VROCP5OXY1+HO=0.5260D-...\n & + 5.7100D-02 * RXRAT( 521 ) ! VROCP6OXY1+HO=0.5710D-...\n & + 2.2660D-01 * RXRAT( 522 ) ! OP3+HO=0.2266D+00*MO2+...\n & + RXRAT( 523 ) ! ECH4+HO=MO2\n & + 7.0000D-01 * RXRAT( 531 ) ! STYP+ACO3=0.7000D+00*MO2+...\n LOSS( MO2 ) = RXRAT( 183 ) ! MO2+NO=HO2+NO2+HCHO\n & + RXRAT( 225 ) ! MO2+HO2=OP1\n & + 2.0000D+00 * RXRAT( 263 ) ! MO2+MO2=0.7400D+00*HO2+...\n & + RXRAT( 264 ) ! MO2+ETHP=HO2+0.7500D+...\n & + 9.2000D-01 * RXRAT( 265 ) ! MO2+HC3P=0.8000D-01*MO2+...\n & + 9.8200D-01 * RXRAT( 266 ) ! MO2+HC5P=0.1800D-01*MO2+...\n & + RXRAT( 267 ) ! MO2+ETEP=HO2+0.1950D+...\n & + RXRAT( 268 ) ! MO2+OLTP=HO2+0.1500D+...\n & + RXRAT( 269 ) ! MO2+OLIP=HO2+0.7500D+...\n & + RXRAT( 270 ) ! MO2+BENP=0.6800D+00*HCHO+...\n & + RXRAT( 271 ) ! MO2+TOLP=0.6800D+00*HCHO+...\n & + RXRAT( 272 ) ! MO2+XYLP=0.6800D+00*HCHO+...\n & + RXRAT( 273 ) ! MO2+EBZP=0.6800D+00*HCHO+...\n & + RXRAT( 274 ) ! MO2+ISOP=HO2+0.1310D+...\n & + RXRAT( 275 ) ! MO2+APIP1=0.1030D+01*HCHO+...\n & + RXRAT( 276 ) ! MO2+APIP2=HO2+0.7500D+...\n & + RXRAT( 277 ) ! MO2+APINP1=0.3410D+00*TRPN+...\n & + RXRAT( 278 ) ! MO2+APINP2=0.7500D+00*HO2+...\n & + RXRAT( 279 ) ! MO2+LIMP1=0.2500D+00*MOH+...\n & + RXRAT( 280 ) ! MO2+LIMP2=HO2+0.7500D+...\n & + RXRAT( 281 ) ! MO2+LIMNP1=0.6900D+00*TRPN+...\n & + RXRAT( 282 ) ! MO2+LIMNP2=0.7500D+00*HO2+...\n & + 1.0000D-01 * RXRAT( 283 ) ! MO2+ACO3=0.9000D+00*MO2+...\n & + 1.0000D-01 * RXRAT( 284 ) ! MO2+RCO3=0.9000D+00*MO2+...\n & + RXRAT( 285 ) ! MO2+ACTP=0.5000D+00*HO2+...\n & + RXRAT( 286 ) ! MO2+MEKP=0.8340D+00*HO2+...\n & + RXRAT( 287 ) ! MO2+KETP=HO2+0.7500D+...\n & + 7.5000D-01 * RXRAT( 288 ) ! MO2+MACP=0.2500D+00*MO2+...\n & + RXRAT( 289 ) ! MO2+MCP=NO2+HO2+0.1500D+...\n & + RXRAT( 290 ) ! MO2+MVKP=HO2+0.1160D+...\n & + RXRAT( 291 ) ! MO2+UALP=HO2+0.3050D+00*CO+...\n & + RXRAT( 292 ) ! MO2+BALP=HO2+BAL1+HCHO\n & + RXRAT( 293 ) ! MO2+BAL1=HO2+BAL2+HCHO\n & + RXRAT( 294 ) ! MO2+ADDC=0.2000D+01*HO2+...\n & + RXRAT( 295 ) ! MO2+MCTP=HO2+MCTO+HCHO\n & + RXRAT( 296 ) ! MO2+ORAP=HCHO+HO2+GLY\n & + RXRAT( 297 ) ! MO2+OLNN=0.2000D+01*HO2+...\n & + RXRAT( 298 ) ! MO2+OLND=0.5000D+00*HO2+...\n & + RXRAT( 299 ) ! MO2+ADCN=HO2+0.7000D+...\n & + RXRAT( 300 ) ! MO2+XO2=HO2+HCHO\n & + RXRAT( 339 ) ! MO2+NO3=HO2+HCHO+NO2\n & + RXRAT( 401 ) ! MO2+BDE13P=0.3200D+00*MOH+...\n & + RXRAT( 493 ) ! MO2+VROCP6AROP=0.6800D+...\n & + RXRAT( 499 ) ! MO2+VROCP5AROP=0.6800D+...\n & + RXRAT( 505 ) ! MO2+NAPHP=0.6800D+00*HCHO+...\n & + RXRAT( 530 ) ! MO2+STYP=0.1370D+01*HO2+...\n\n PROD( ALD ) = 4.3400D-01 * RXRAT( 16 ) ! UALD=0.4340D+00*ALD+...\n & + RXRAT( 32 ) ! OP2=ALD+HO2+HO\n & + RXRAT( 33 ) ! OPB=ALD+HO2+HO\n & + RXRAT( 34 ) ! OP3=ALD+HO2+HO\n & + 2.0000D-01 * RXRAT( 36 ) ! ONIT=0.2000D+00*ALD+NO2+...\n & + 4.0000D-01 * RXRAT( 119 ) ! DCB1+HO=0.4000D+00*ALD+...\n & + 7.1900D-01 * RXRAT( 128 ) ! ROH+HO=0.7190D+00*ALD+HO2+...\n & + RXRAT( 129 ) ! ETEG+HO=ALD+HO2\n & + 8.0000D-02 * RXRAT( 131 ) ! OP2+HO=0.8000D-01*ALD+...\n & + 8.0000D-02 * RXRAT( 132 ) ! OPB+HO=0.8000D-01*ALD+...\n & + 8.0000D-02 * RXRAT( 133 ) ! OP3+HO=0.8000D-01*ALD+...\n & + 2.0000D-02 * RXRAT( 142 ) ! TRPN+HO=0.2000D-01*ALD+...\n & + 4.4000D-01 * RXRAT( 145 ) ! OLT+O3=0.4400D+00*ALD+...\n & + 7.3000D-01 * RXRAT( 146 ) ! OLI+O3=0.7300D+00*ALD+...\n & + RXRAT( 149 ) ! LIMAL+O3=ALD+0.9000D-01*HO+...\n & + 2.0000D-02 * RXRAT( 150 ) ! TRPN+O3=0.2000D-01*ALD+...\n & + 1.0000D-01 * RXRAT( 152 ) ! MVK+O3=0.1000D+00*ALD+...\n & + 2.0000D-02 * RXRAT( 163 ) ! TRPN+NO3=0.2000D-01*ALD+...\n & + 3.3200D-01 * RXRAT( 168 ) ! UALD+NO3=0.3320D+00*ALD+...\n & + 1.3200D-01 * RXRAT( 185 ) ! HC3P+NO=0.1320D+00*ALD+...\n & + 2.0300D-01 * RXRAT( 186 ) ! HC5P+NO=0.2030D+00*ALD+...\n & + 2.0000D-01 * RXRAT( 187 ) ! ETEP+NO=0.2000D+00*ALD+NO2+...\n & + 4.4000D-01 * RXRAT( 188 ) ! OLTP+NO=0.4400D+00*ALD+...\n & + 6.8000D-01 * RXRAT( 189 ) ! OLIP+NO=0.6800D+00*ALD+...\n & + 2.8400D-01 * RXRAT( 194 ) ! APIP1+NO=0.2840D+00*ALD+...\n & + 1.5400D-01 * RXRAT( 196 ) ! APINP1+NO=0.1540D+00*ALD+...\n & + 4.6000D-01 * RXRAT( 208 ) ! KETP+NO=0.4600D+00*ALD+...\n & + 7.0000D-01 * RXRAT( 211 ) ! MVKP+NO=0.7000D+00*ALD+...\n & + 2.7000D-01 * RXRAT( 212 ) ! UALP+NO=0.2700D+00*ALD+NO2+...\n & + 1.2400D+00 * RXRAT( 219 ) ! OLND+NO=0.1240D+01*ALD+...\n & + 7.7000D-02 * RXRAT( 238 ) ! APINP1+HO2=0.7700D-01*ALD+...\n & + 1.9800D-01 * RXRAT( 265 ) ! HC3P+MO2=0.1980D+00*ALD+...\n & + 2.5100D-01 * RXRAT( 266 ) ! HC5P+MO2=0.2510D+00*ALD+...\n & + 1.5000D-01 * RXRAT( 267 ) ! ETEP+MO2=0.1500D+00*ALD+...\n & + 7.0500D-01 * RXRAT( 268 ) ! OLTP+MO2=0.7050D+00*ALD+...\n & + 1.2800D+00 * RXRAT( 269 ) ! OLIP+MO2=0.1280D+01*ALD+...\n & + 2.3000D-02 * RXRAT( 274 ) ! ISOP+MO2=0.2300D-01*ALD+...\n & + 2.3850D-01 * RXRAT( 275 ) ! APIP1+MO2=0.2385D+00*ALD+...\n & + 1.1900D-01 * RXRAT( 277 ) ! APINP1+MO2=0.1190D+00*ALD+...\n & + 1.7500D+00 * RXRAT( 290 ) ! MVKP+MO2=0.1750D+01*ALD+...\n & + 2.0300D-01 * RXRAT( 291 ) ! UALP+MO2=0.2030D+00*ALD+...\n & + 9.3000D-01 * RXRAT( 298 ) ! OLND+MO2=0.9300D+00*ALD+...\n & + 2.7300D-01 * RXRAT( 302 ) ! HC3P+ACO3=0.2730D+00*ALD+...\n & + 3.8100D-01 * RXRAT( 303 ) ! HC5P+ACO3=0.3810D+00*ALD+...\n & + 2.0000D-01 * RXRAT( 304 ) ! ETEP+ACO3=0.2000D+00*ALD+...\n & + 9.4000D-01 * RXRAT( 305 ) ! OLTP+ACO3=0.9400D+00*ALD+...\n & + 1.7100D+00 * RXRAT( 306 ) ! OLIP+ACO3=0.1710D+01*ALD+...\n & + 3.7100D-01 * RXRAT( 312 ) ! APIP1+ACO3=0.3710D+00*ALD+...\n & + 1.6800D-01 * RXRAT( 314 ) ! APINP1+ACO3=0.1680D+00*ALD+...\n & + 2.3000D+00 * RXRAT( 327 ) ! MVKP+ACO3=0.2300D+01*ALD+...\n & + 2.7000D-01 * RXRAT( 328 ) ! UALP+ACO3=0.2700D+00*ALD+...\n & + 1.2400D+00 * RXRAT( 335 ) ! OLND+ACO3=0.1240D+01*ALD+...\n & + 1.4700D-01 * RXRAT( 341 ) ! HC3P+NO3=0.1470D+00*ALD+...\n & + 2.4100D-01 * RXRAT( 342 ) ! HC5P+NO3=0.2410D+00*ALD+...\n & + 2.0000D-01 * RXRAT( 343 ) ! ETEP+NO3=0.2000D+00*ALD+...\n & + 4.7000D-01 * RXRAT( 344 ) ! OLTP+NO3=0.4700D+00*ALD+...\n & + 7.2000D-01 * RXRAT( 345 ) ! OLIP+NO3=0.7200D+00*ALD+...\n & + 3.1000D-02 * RXRAT( 350 ) ! ISOP+NO3=0.3100D-01*ALD+...\n & + 3.7100D-01 * RXRAT( 351 ) ! APIP1+NO3=0.3710D+00*ALD+...\n & + 1.6800D-01 * RXRAT( 353 ) ! APINP1+NO3=0.1680D+00*ALD+...\n & + 7.0000D-01 * RXRAT( 362 ) ! MVKP+NO3=0.7000D+00*ALD+...\n & + 2.7000D-01 * RXRAT( 363 ) ! UALP+NO3=0.2700D+00*ALD+...\n & + 1.2400D+00 * RXRAT( 370 ) ! OLND+NO3=0.1240D+01*ALD+...\n & + 6.4000D-01 * RXRAT( 373 ) ! OLNN+OLND=0.6400D+00*ALD+...\n & + 1.2100D+00 * RXRAT( 374 ) ! OLND+OLND=0.1210D+01*ALD+...\n & + RXRAT( 409 ) ! FURAN+O3=ALD+0.2000D-01*HO\n & + 3.8700D-01 * RXRAT( 411 ) ! PROG+HO=0.3870D+00*ALD+...\n & + 2.5810D-01 * RXRAT( 507 ) ! VROCN2OXY8+HO=0.2581D+...\n & + 7.9400D-02 * RXRAT( 508 ) ! VROCN2OXY4+HO=0.7940D-...\n & + 3.9000D-02 * RXRAT( 509 ) ! VROCN2OXY2+HO=0.3900D-...\n & + 1.8400D-01 * RXRAT( 510 ) ! VROCN1OXY6+HO=0.1840D+...\n & + 6.4600D-02 * RXRAT( 511 ) ! VROCN1OXY3+HO=0.6460D-...\n & + 2.4400D-02 * RXRAT( 512 ) ! VROCN1OXY1+HO=0.2440D-...\n & + 1.0680D-01 * RXRAT( 513 ) ! VROCP0OXY4+HO=0.1068D+...\n & + 4.4500D-02 * RXRAT( 514 ) ! VROCP0OXY2+HO=0.4450D-...\n & + 8.1800D-02 * RXRAT( 515 ) ! VROCP1OXY3+HO=0.8180D-...\n & + 2.9700D-02 * RXRAT( 516 ) ! VROCP1OXY1+HO=0.2970D-...\n & + 6.2800D-02 * RXRAT( 517 ) ! VROCP2OXY2+HO=0.6280D-...\n & + 6.9800D-02 * RXRAT( 518 ) ! VROCP3OXY2+HO=0.6980D-...\n & + 7.8600D-02 * RXRAT( 519 ) ! VROCP4OXY2+HO=0.7860D-...\n & + 5.2600D-02 * RXRAT( 520 ) ! VROCP5OXY1+HO=0.5260D-...\n & + 5.7100D-02 * RXRAT( 521 ) ! VROCP6OXY1+HO=0.5710D-...\n & + 2.2660D-01 * RXRAT( 522 ) ! OP3+HO=0.2266D+00*ALD+...\n LOSS( ALD ) = RXRAT( 13 ) ! ALD=HO2+ETHP+CO\n & + RXRAT( 109 ) ! ALD+HO=RCO3\n & + RXRAT( 166 ) ! ALD+NO3=RCO3+HNO3\n\n PROD( ETHP ) = RXRAT( 13 ) ! ALD=ETHP+HO2+CO\n & + RXRAT( 19 ) ! MEK=ETHP+0.1000D+00*MO2+...\n & + 1.5000D+00 * RXRAT( 20 ) ! KET=0.1500D+01*ETHP+...\n & + RXRAT( 79 ) ! ETH+HO=ETHP\n & + 6.0000D-02 * RXRAT( 145 ) ! OLT+O3=0.6000D-01*ETHP+...\n & + 7.0000D-02 * RXRAT( 146 ) ! OLI+O3=0.7000D-01*ETHP+...\n & + 4.8000D-02 * RXRAT( 185 ) ! HC3P+NO=0.4800D-01*ETHP+...\n & + 2.3100D-01 * RXRAT( 186 ) ! HC5P+NO=0.2310D+00*ETHP+...\n & + RXRAT( 205 ) ! RCO3+NO=ETHP+NO2\n & + 4.4000D-01 * RXRAT( 247 ) ! RCO3+HO2=0.4400D+00*ETHP+...\n & + 2.6000D-02 * RXRAT( 265 ) ! HC3P+MO2=0.2600D-01*ETHP+...\n & + 1.4000D-01 * RXRAT( 266 ) ! HC5P+MO2=0.1400D+00*ETHP+...\n & + 2.6000D-02 * RXRAT( 302 ) ! HC3P+ACO3=0.2600D-01*ETHP+...\n & + 1.4000D-01 * RXRAT( 303 ) ! HC5P+ACO3=0.1400D+00*ETHP+...\n & + RXRAT( 321 ) ! RCO3+ACO3=ETHP+MO2\n & + 2.0000D+00 * RXRAT( 338 ) ! RCO3+RCO3=0.2000D+01*ETHP\n & + 5.0300D-01 * RXRAT( 341 ) ! HC3P+NO3=0.5030D+00*ETHP+...\n & + 2.8000D-01 * RXRAT( 342 ) ! HC5P+NO3=0.2800D+00*ETHP+...\n & + RXRAT( 356 ) ! RCO3+NO3=ETHP+NO2\n & + RXRAT( 376 ) ! XO2+RCO3=ETHP\n & + 8.5200D-01 * RXRAT( 391 ) ! VROCIOXY+HO=0.8520D+...\n & + RXRAT( 392 ) ! SLOWROC+HO=ETHP+0.1010D-...\n & + 2.5810D-01 * RXRAT( 507 ) ! VROCN2OXY8+HO=0.2581D+...\n & + 7.9400D-02 * RXRAT( 508 ) ! VROCN2OXY4+HO=0.7940D-...\n & + 3.9000D-02 * RXRAT( 509 ) ! VROCN2OXY2+HO=0.3900D-...\n & + 1.8400D-01 * RXRAT( 510 ) ! VROCN1OXY6+HO=0.1840D+...\n & + 6.4600D-02 * RXRAT( 511 ) ! VROCN1OXY3+HO=0.6460D-...\n & + 2.4400D-02 * RXRAT( 512 ) ! VROCN1OXY1+HO=0.2440D-...\n & + 1.0680D-01 * RXRAT( 513 ) ! VROCP0OXY4+HO=0.1068D+...\n & + 4.4500D-02 * RXRAT( 514 ) ! VROCP0OXY2+HO=0.4450D-...\n & + 8.1800D-02 * RXRAT( 515 ) ! VROCP1OXY3+HO=0.8180D-...\n & + 2.9700D-02 * RXRAT( 516 ) ! VROCP1OXY1+HO=0.2970D-...\n & + 6.2800D-02 * RXRAT( 517 ) ! VROCP2OXY2+HO=0.6280D-...\n & + 6.9800D-02 * RXRAT( 518 ) ! VROCP3OXY2+HO=0.6980D-...\n & + 7.8600D-02 * RXRAT( 519 ) ! VROCP4OXY2+HO=0.7860D-...\n & + 5.2600D-02 * RXRAT( 520 ) ! VROCP5OXY1+HO=0.5260D-...\n & + 5.7100D-02 * RXRAT( 521 ) ! VROCP6OXY1+HO=0.5710D-...\n & + 2.2660D-01 * RXRAT( 522 ) ! OP3+HO=0.2266D+00*ETHP+...\n LOSS( ETHP ) = RXRAT( 184 ) ! ETHP+NO=HO2+NO2+ACD\n & + RXRAT( 226 ) ! ETHP+HO2=OP2\n & + RXRAT( 264 ) ! ETHP+MO2=HO2+0.7500D+...\n & + RXRAT( 301 ) ! ETHP+ACO3=0.5000D+00*HO2+...\n & + RXRAT( 340 ) ! ETHP+NO3=HO2+NO2+ACD\n\n PROD( ACT ) = 3.0000D-02 * RXRAT( 145 ) ! OLT+O3=0.3000D-01*ACT+...\n & + 1.1000D-01 * RXRAT( 146 ) ! OLI+O3=0.1100D+00*ACT+...\n & + 1.6500D-01 * RXRAT( 185 ) ! HC3P+NO=0.1650D+00*ACT+...\n & + 2.1700D-01 * RXRAT( 186 ) ! HC5P+NO=0.2170D+00*ACT+...\n & + 6.0000D-02 * RXRAT( 188 ) ! OLTP+NO=0.6000D-01*ACT+...\n & + 2.0000D-01 * RXRAT( 189 ) ! OLIP+NO=0.2000D+00*ACT+...\n & + 8.6500D-02 * RXRAT( 194 ) ! APIP1+NO=0.8650D-01*ACT+...\n & + 3.9000D-02 * RXRAT( 236 ) ! APIP1+HO2=0.3900D-01*ACT+...\n & + 6.7000D-02 * RXRAT( 275 ) ! APIP1+MO2=0.6700D-01*ACT+...\n & + 1.1650D-01 * RXRAT( 312 ) ! APIP1+ACO3=0.1165D+00*ACT+...\n & + 9.5000D-02 * RXRAT( 341 ) ! HC3P+NO3=0.9500D-01*ACT+...\n & + 2.4700D-01 * RXRAT( 342 ) ! HC5P+NO3=0.2470D+00*ACT+...\n & + 9.0000D-02 * RXRAT( 344 ) ! OLTP+NO3=0.9000D-01*ACT+...\n & + 2.0000D-01 * RXRAT( 345 ) ! OLIP+NO3=0.2000D+00*ACT+...\n & + 1.1650D-01 * RXRAT( 351 ) ! APIP1+NO3=0.1165D+00*ACT+...\n LOSS( ACT ) = RXRAT( 14 ) ! ACT=MO2+ACO3\n & + RXRAT( 15 ) ! ACT=0.2000D+01*MO2+CO\n & + RXRAT( 110 ) ! ACT+HO=ACTP\n\n PROD( UALD ) = 7.0000D-01 * RXRAT( 23 ) ! MVK=0.7000D+00*UALD+...\n & + 3.3000D-01 * RXRAT( 39 ) ! TRPN=0.3300D+00*UALD+...\n & + 3.3300D-01 * RXRAT( 397 ) ! BDE13+HO=0.3330D+00*UALD+...\n & + 1.9000D-02 * RXRAT( 401 ) ! BDE13P+MO2=0.1900D-01*UALD+...\n & + 1.5000D-02 * RXRAT( 402 ) ! BDE13P+ACO3=0.1500D-...\n LOSS( UALD ) = RXRAT( 16 ) ! UALD=0.1220D+01*HO2+...\n & + RXRAT( 116 ) ! UALD+HO=0.3130D+00*ACO3+...\n & + RXRAT( 153 ) ! UALD+O3=0.1000D+00*HO+...\n & + RXRAT( 168 ) ! UALD+NO3=HO2+XO2+0.6680D+...\n\n PROD( KET ) = 2.1600D-01 * RXRAT( 16 ) ! UALD=0.2160D+00*KET+...\n & + 8.0000D-01 * RXRAT( 36 ) ! ONIT=0.8000D+00*KET+NO2+...\n & + 6.7000D-01 * RXRAT( 39 ) ! TRPN=0.6700D+00*KET+NO2+...\n & + 7.8000D-01 * RXRAT( 119 ) ! DCB1+HO=0.7800D+00*KET+...\n & + 4.1000D-01 * RXRAT( 131 ) ! OP2+HO=0.4100D+00*KET+...\n & + 4.1000D-01 * RXRAT( 132 ) ! OPB+HO=0.4100D+00*KET+...\n & + 4.1000D-01 * RXRAT( 133 ) ! OP3+HO=0.4100D+00*KET+...\n & + 3.8000D-01 * RXRAT( 142 ) ! TRPN+HO=0.3800D+00*KET+...\n & + 1.7000D-02 * RXRAT( 146 ) ! OLI+O3=0.1700D-01*KET+...\n & + 1.7850D-01 * RXRAT( 147 ) ! API+O3=0.1785D+00*KET+...\n & + 3.8000D-01 * RXRAT( 150 ) ! TRPN+O3=0.3800D+00*KET+...\n & + 2.8000D-02 * RXRAT( 153 ) ! UALD+O3=0.2800D-01*KET+...\n & + 3.8000D-01 * RXRAT( 163 ) ! TRPN+NO3=0.3800D+00*KET+...\n & + 3.3000D-02 * RXRAT( 186 ) ! HC5P+NO=0.3300D-01*KET+...\n & + 9.0000D-02 * RXRAT( 189 ) ! OLIP+NO=0.9000D-01*KET+...\n & + 8.4000D-02 * RXRAT( 194 ) ! APIP1+NO=0.8400D-01*KET+...\n & + 7.0000D-03 * RXRAT( 196 ) ! APINP1+NO=0.7000D-02*KET+...\n & + 7.0000D-01 * RXRAT( 212 ) ! UALP+NO=0.7000D+00*KET+NO2+...\n & + 4.6400D-01 * RXRAT( 219 ) ! OLND+NO=0.4640D+00*KET+...\n & + 1.0500D-02 * RXRAT( 236 ) ! APIP1+HO2=0.1050D-01*KET+...\n & + 7.0000D-03 * RXRAT( 238 ) ! APINP1+HO2=0.7000D-02*KET+...\n & + 4.9700D-01 * RXRAT( 265 ) ! HC3P+MO2=0.4970D+00*KET+...\n & + 6.1800D-01 * RXRAT( 266 ) ! HC5P+MO2=0.6180D+00*KET+...\n & + 4.5000D-02 * RXRAT( 268 ) ! OLTP+MO2=0.4500D-01*KET+...\n & + 2.1800D-01 * RXRAT( 269 ) ! OLIP+MO2=0.2180D+00*KET+...\n & + 1.8350D-01 * RXRAT( 275 ) ! APIP1+MO2=0.1835D+00*KET+...\n & + 7.0000D-03 * RXRAT( 277 ) ! APINP1+MO2=0.7000D-02*KET+...\n & + 5.2500D-01 * RXRAT( 291 ) ! UALP+MO2=0.5250D+00*KET+...\n & + 3.4800D-01 * RXRAT( 298 ) ! OLND+MO2=0.3480D+00*KET+...\n & + 6.6200D-01 * RXRAT( 302 ) ! HC3P+ACO3=0.6620D+00*KET+...\n & + 8.2400D-01 * RXRAT( 303 ) ! HC5P+ACO3=0.8240D+00*KET+...\n & + 6.0000D-02 * RXRAT( 305 ) ! OLTP+ACO3=0.6000D-01*KET+...\n & + 2.9000D-01 * RXRAT( 306 ) ! OLIP+ACO3=0.2900D+00*KET+...\n & + 1.1200D-01 * RXRAT( 312 ) ! APIP1+ACO3=0.1120D+00*KET+...\n & + 7.0000D-03 * RXRAT( 314 ) ! APINP1+ACO3=0.7000D-02*KET+...\n & + 7.0000D-01 * RXRAT( 328 ) ! UALP+ACO3=0.7000D+00*KET+...\n & + 4.6400D-01 * RXRAT( 335 ) ! OLND+ACO3=0.4640D+00*KET+...\n & + 6.0000D-02 * RXRAT( 342 ) ! HC5P+NO3=0.6000D-01*KET+...\n & + 1.1000D-01 * RXRAT( 345 ) ! OLIP+NO3=0.1100D+00*KET+...\n & + 1.1200D-01 * RXRAT( 351 ) ! APIP1+NO3=0.1120D+00*KET+...\n & + 7.0000D-03 * RXRAT( 353 ) ! APINP1+NO3=0.7000D-02*KET+...\n & + 7.0000D-01 * RXRAT( 363 ) ! UALP+NO3=0.7000D+00*KET+...\n & + 4.6400D-01 * RXRAT( 370 ) ! OLND+NO3=0.4640D+00*KET+...\n & + 1.4900D-01 * RXRAT( 373 ) ! OLNN+OLND=0.1490D+00*KET+...\n & + 2.8500D-01 * RXRAT( 374 ) ! OLND+OLND=0.2850D+00*KET+...\n & + 6.5000D-01 * RXRAT( 408 ) ! FURANONE+HO=0.6500D+00*KET+...\n & + 8.8000D-01 * RXRAT( 474 ) ! HC10P2+NO=0.8800D+00*KET+...\n & + RXRAT( 481 ) ! HC10P2+NO3=KET+NO2+HO2\n & + 7.9400D-02 * RXRAT( 508 ) ! VROCN2OXY4+HO=0.7940D-...\n & + 1.8400D-01 * RXRAT( 510 ) ! VROCN1OXY6+HO=0.1840D+...\n & + 1.0680D-01 * RXRAT( 513 ) ! VROCP0OXY4+HO=0.1068D+...\n LOSS( KET ) = RXRAT( 20 ) ! KET=0.1500D+01*ETHP+...\n & + RXRAT( 112 ) ! KET+HO=KETP\n\n PROD( PINAL ) = 2.7000D-01 * RXRAT( 142 ) ! TRPN+HO=0.2700D+00*PINAL+...\n & + 2.5350D-01 * RXRAT( 147 ) ! API+O3=0.2535D+00*PINAL+...\n & + 2.7000D-01 * RXRAT( 150 ) ! TRPN+O3=0.2700D+00*PINAL+...\n & + 2.7000D-01 * RXRAT( 163 ) ! TRPN+NO3=0.2700D+00*PINAL+...\n & + 1.9500D-01 * RXRAT( 194 ) ! APIP1+NO=0.1950D+00*PINAL+...\n & + 6.0450D-01 * RXRAT( 196 ) ! APINP1+NO=0.6045D+00*PINAL+...\n & + 1.8850D-01 * RXRAT( 236 ) ! APIP1+HO2=0.1885D+00*PINAL+...\n & + 4.5500D-01 * RXRAT( 238 ) ! APINP1+HO2=0.4550D+...\n & + 2.7300D-01 * RXRAT( 275 ) ! APIP1+MO2=0.2730D+00*PINAL+...\n & + 5.3300D-01 * RXRAT( 277 ) ! APINP1+MO2=0.5330D+...\n & + 2.5350D-01 * RXRAT( 312 ) ! APIP1+ACO3=0.2535D+...\n & + 6.5000D-01 * RXRAT( 314 ) ! APINP1+ACO3=0.6500D+...\n & + 2.5350D-01 * RXRAT( 351 ) ! APIP1+NO3=0.2535D+00*PINAL+...\n & + 6.5000D-01 * RXRAT( 353 ) ! APINP1+NO3=0.6500D+...\n & + 4.8000D-01 * RXRAT( 378 ) ! APIP2+APIP1=0.4800D+...\n & + 4.8000D-01 * RXRAT( 381 ) ! LIMP2+APIP1=0.4800D+...\n & + 4.8000D-01 * RXRAT( 384 ) ! APINP2+APIP1=0.4800D+...\n & + 4.8000D-01 * RXRAT( 387 ) ! LIMNP2+APIP1=0.4800D+...\n LOSS( PINAL ) = RXRAT( 17 ) ! PINAL=HO2+HC10P+CO\n & + RXRAT( 105 ) ! PINAL+HO=0.2300D+00*PINALP+...\n\n PROD( HC10P ) = RXRAT( 17 ) ! PINAL=HC10P+HO2+CO\n & + RXRAT( 18 ) ! LIMAL=HC10P+HO2+CO\n & + 4.4000D-01 * RXRAT( 132 ) ! OPB+HO=0.4400D+00*HC10P+...\n & + 4.4000D-01 * RXRAT( 133 ) ! OP3+HO=0.4400D+00*HC10P+...\n & + RXRAT( 439 ) ! HC10+HO=HC10P\n LOSS( HC10P ) = RXRAT( 446 ) ! HC10P+NO=0.7400D+00*HC10P2+...\n & + RXRAT( 453 ) ! HC10P+NO3=HC10P2+NO2\n & + RXRAT( 460 ) ! HC10P+HO2=OP2\n\n PROD( LIMAL ) = 6.6000D-01 * RXRAT( 148 ) ! LIM+O3=0.6600D+00*LIMAL+...\n & + 1.2850D-01 * RXRAT( 194 ) ! APIP1+NO=0.1285D+00*LIMAL+...\n & + 7.7000D-01 * RXRAT( 198 ) ! LIMP1+NO=0.7700D+00*LIMAL+...\n & + 4.3000D-01 * RXRAT( 200 ) ! LIMNP1+NO=0.4300D+00*LIMAL+...\n & + 3.9000D-02 * RXRAT( 236 ) ! APIP1+HO2=0.3900D-01*LIMAL+...\n & + 1.0000D-01 * RXRAT( 240 ) ! LIMP1+HO2=0.1000D+00*LIMAL+...\n & + 2.3000D-01 * RXRAT( 242 ) ! LIMNP1+HO2=0.2300D+...\n & + 2.2050D-01 * RXRAT( 275 ) ! APIP1+MO2=0.2205D+00*LIMAL+...\n & + RXRAT( 279 ) ! LIMP1+MO2=LIMAL+0.2500D+...\n & + 3.1000D-01 * RXRAT( 281 ) ! LIMNP1+MO2=0.3100D+...\n & + 1.7250D-01 * RXRAT( 312 ) ! APIP1+ACO3=0.1725D+...\n & + RXRAT( 316 ) ! LIMP1+ACO3=LIMAL+0.5600D+...\n & + 4.6000D-01 * RXRAT( 318 ) ! LIMNP1+ACO3=0.4600D+...\n & + 1.7250D-01 * RXRAT( 351 ) ! APIP1+NO3=0.1725D+00*LIMAL+...\n & + RXRAT( 352 ) ! LIMP1+NO3=LIMAL+NO2+HO2+...\n & + 4.6000D-01 * RXRAT( 354 ) ! LIMNP1+NO3=0.4600D+...\n & + 4.8000D-01 * RXRAT( 379 ) ! APIP2+LIMP1=0.4800D+...\n & + 4.8000D-01 * RXRAT( 382 ) ! LIMP2+LIMP1=0.4800D+...\n & + 4.8000D-01 * RXRAT( 385 ) ! APINP2+LIMP1=0.4800D+...\n & + 4.8000D-01 * RXRAT( 388 ) ! LIMNP2+LIMP1=0.4800D+...\n LOSS( LIMAL ) = RXRAT( 18 ) ! LIMAL=HO2+HC10P+CO\n & + RXRAT( 106 ) ! LIMAL+HO=0.8300D+00*LIMALP+...\n & + RXRAT( 149 ) ! LIMAL+O3=0.9000D-01*HO+ALD+...\n\n PROD( MEK ) = 1.3000D-01 * RXRAT( 120 ) ! DCB2+HO=0.1300D+00*MEK+...\n & + 6.0000D-02 * RXRAT( 145 ) ! OLT+O3=0.6000D-01*MEK+...\n & + 4.2000D-02 * RXRAT( 185 ) ! HC3P+NO=0.4200D-01*MEK+...\n & + 3.3000D-02 * RXRAT( 186 ) ! HC5P+NO=0.3300D-01*MEK+...\n & + 1.3000D-01 * RXRAT( 188 ) ! OLTP+NO=0.1300D+00*MEK+...\n & + 7.5000D-02 * RXRAT( 341 ) ! HC3P+NO3=0.7500D-01*MEK+...\n & + 6.3000D-02 * RXRAT( 342 ) ! HC5P+NO3=0.6300D-01*MEK+...\n & + 1.8000D-01 * RXRAT( 344 ) ! OLTP+NO3=0.1800D+00*MEK+...\n & + 2.5810D-01 * RXRAT( 507 ) ! VROCN2OXY8+HO=0.2581D+...\n & + 7.9400D-02 * RXRAT( 508 ) ! VROCN2OXY4+HO=0.7940D-...\n & + 3.9000D-02 * RXRAT( 509 ) ! VROCN2OXY2+HO=0.3900D-...\n & + 1.8400D-01 * RXRAT( 510 ) ! VROCN1OXY6+HO=0.1840D+...\n & + 6.4600D-02 * RXRAT( 511 ) ! VROCN1OXY3+HO=0.6460D-...\n & + 2.4400D-02 * RXRAT( 512 ) ! VROCN1OXY1+HO=0.2440D-...\n & + 1.0680D-01 * RXRAT( 513 ) ! VROCP0OXY4+HO=0.1068D+...\n & + 4.4500D-02 * RXRAT( 514 ) ! VROCP0OXY2+HO=0.4450D-...\n & + 8.1800D-02 * RXRAT( 515 ) ! VROCP1OXY3+HO=0.8180D-...\n & + 2.9700D-02 * RXRAT( 516 ) ! VROCP1OXY1+HO=0.2970D-...\n & + 6.2800D-02 * RXRAT( 517 ) ! VROCP2OXY2+HO=0.6280D-...\n & + 6.9800D-02 * RXRAT( 518 ) ! VROCP3OXY2+HO=0.6980D-...\n & + 7.8600D-02 * RXRAT( 519 ) ! VROCP4OXY2+HO=0.7860D-...\n & + 5.2600D-02 * RXRAT( 520 ) ! VROCP5OXY1+HO=0.5260D-...\n & + 5.7100D-02 * RXRAT( 521 ) ! VROCP6OXY1+HO=0.5710D-...\n & + 2.2660D-01 * RXRAT( 522 ) ! OP3+HO=0.2266D+00*MEK+...\n LOSS( MEK ) = RXRAT( 19 ) ! MEK=0.1000D+00*MO2+ETHP+...\n & + RXRAT( 111 ) ! MEK+HO=MEKP\n\n PROD( HKET ) = RXRAT( 40 ) ! HONIT=HKET+NO2\n & + RXRAT( 140 ) ! MPAN+HO=HKET+NO2\n & + RXRAT( 143 ) ! HONIT+HO=HKET+NO3\n & + 1.0000D-02 * RXRAT( 145 ) ! OLT+O3=0.1000D-01*HKET+...\n & + 4.4000D-02 * RXRAT( 146 ) ! OLI+O3=0.4400D-01*HKET+...\n & + 2.7200D-01 * RXRAT( 186 ) ! HC5P+NO=0.2720D+00*HKET+...\n & + 2.0000D-02 * RXRAT( 189 ) ! OLIP+NO=0.2000D-01*HKET+...\n & + RXRAT( 210 ) ! MCP+NO=HKET+0.5000D+00*HO2+...\n & + 3.2000D-01 * RXRAT( 215 ) ! ADDC+NO=0.3200D+00*HKET+...\n & + 1.6000D-02 * RXRAT( 274 ) ! ISOP+MO2=0.1600D-01*HKET+...\n & + 5.0000D-01 * RXRAT( 289 ) ! MCP+MO2=0.5000D+00*HKET+...\n & + 3.2000D-01 * RXRAT( 294 ) ! ADDC+MO2=0.3200D+00*HKET+...\n & + 5.0000D-01 * RXRAT( 326 ) ! MCP+ACO3=0.5000D+00*HKET+...\n & + 3.2000D-01 * RXRAT( 331 ) ! ADDC+ACO3=0.3200D+00*HKET+...\n & + 2.7500D-01 * RXRAT( 342 ) ! HC5P+NO3=0.2750D+00*HKET+...\n & + 4.0000D-02 * RXRAT( 345 ) ! OLIP+NO3=0.4000D-01*HKET+...\n & + 3.3000D-02 * RXRAT( 350 ) ! ISOP+NO3=0.3300D-01*HKET+...\n & + RXRAT( 361 ) ! MCP+NO3=HKET+HO2+HCHO+NO2\n & + 3.2000D-01 * RXRAT( 366 ) ! ADDC+NO3=0.3200D+00*HKET+...\n & + 6.1300D-01 * RXRAT( 411 ) ! PROG+HO=0.6130D+00*HKET+...\n & + 3.9000D-02 * RXRAT( 509 ) ! VROCN2OXY2+HO=0.3900D-...\n & + 6.4600D-02 * RXRAT( 511 ) ! VROCN1OXY3+HO=0.6460D-...\n & + 2.4400D-02 * RXRAT( 512 ) ! VROCN1OXY1+HO=0.2440D-...\n & + 4.4500D-02 * RXRAT( 514 ) ! VROCP0OXY2+HO=0.4450D-...\n & + 8.1800D-02 * RXRAT( 515 ) ! VROCP1OXY3+HO=0.8180D-...\n & + 2.9700D-02 * RXRAT( 516 ) ! VROCP1OXY1+HO=0.2970D-...\n & + 6.2800D-02 * RXRAT( 517 ) ! VROCP2OXY2+HO=0.6280D-...\n & + 6.9800D-02 * RXRAT( 518 ) ! VROCP3OXY2+HO=0.6980D-...\n & + 7.8600D-02 * RXRAT( 519 ) ! VROCP4OXY2+HO=0.7860D-...\n & + 5.2600D-02 * RXRAT( 520 ) ! VROCP5OXY1+HO=0.5260D-...\n & + 5.7100D-02 * RXRAT( 521 ) ! VROCP6OXY1+HO=0.5710D-...\n LOSS( HKET ) = RXRAT( 21 ) ! HKET=HO2+ACO3+HCHO\n & + RXRAT( 113 ) ! HKET+HO=HO2+MGLY\n\n PROD( MACR ) = 3.0000D-01 * RXRAT( 90 ) ! ISO+O3=0.3000D+00*MACR+...\n & + 2.8000D-02 * RXRAT( 91 ) ! ISO+NO3=0.2800D-01*MACR+...\n & + 3.0000D-02 * RXRAT( 92 ) ! ISO+HO=0.3000D-01*MACR+...\n & + 1.8000D-01 * RXRAT( 94 ) ! ISOP+NO=0.1800D+00*MACR+...\n & + 3.0000D-02 * RXRAT( 96 ) ! ISHP+HO=0.3000D-01*MACR+...\n & + 5.7000D-01 * RXRAT( 102 ) ! IPX+HO=0.5700D+00*MACR+...\n & + 1.5900D-01 * RXRAT( 274 ) ! ISOP+MO2=0.1590D+00*MACR+...\n & + 2.1900D-01 * RXRAT( 311 ) ! ISOP+ACO3=0.2190D+00*MACR+...\n & + 3.1800D-01 * RXRAT( 350 ) ! ISOP+NO3=0.3180D+00*MACR+...\n LOSS( MACR ) = RXRAT( 22 ) ! MACR=0.3400D+00*HO+0.6600D+...\n & + RXRAT( 114 ) ! MACR+HO=0.5700D+00*MACP+...\n & + RXRAT( 151 ) ! MACR+O3=0.1900D+00*HO+...\n & + RXRAT( 167 ) ! MACR+NO3=0.6800D+00*HCHO+...\n\n PROD( MACP ) = 3.3000D-01 * RXRAT( 22 ) ! MACR=0.3300D+00*MACP+...\n & + 3.0000D-01 * RXRAT( 23 ) ! MVK=0.3000D+00*MACP+...\n & + 1.0000D-01 * RXRAT( 90 ) ! ISO+O3=0.1000D+00*MACP+...\n & + 5.7000D-01 * RXRAT( 114 ) ! MACR+HO=0.5700D+00*MACP+...\n & + 2.1000D-01 * RXRAT( 121 ) ! DCB3+HO=0.2100D+00*MACP+...\n & + RXRAT( 134 ) ! MAHP+HO=MACP\n & + 3.2000D-01 * RXRAT( 167 ) ! MACR+NO3=0.3200D+00*MACP+...\n & + RXRAT( 174 ) ! MPAN+NO3=MACP+NO2\n & + RXRAT( 182 ) ! MPAN=MACP+NO2\n & + 5.7000D-01 * RXRAT( 393 ) ! ACRO+HO=0.5700D+00*MACP+...\n & + 3.2000D-01 * RXRAT( 395 ) ! ACRO+NO3=0.3200D+00*MACP+...\n LOSS( MACP ) = RXRAT( 181 ) ! MACP+NO2=MPAN\n & + RXRAT( 209 ) ! MACP+NO=0.6500D+00*MO2+...\n & + RXRAT( 251 ) ! MACP+HO2=MAHP\n & + RXRAT( 288 ) ! MACP+MO2=0.5000D+00*HO2+...\n & + RXRAT( 325 ) ! MACP+ACO3=0.6350D+00*ORA2+...\n & + RXRAT( 360 ) ! MACP+NO3=HCHO+0.5380D+...\n\n PROD( XO2 ) = 3.4000D-01 * RXRAT( 22 ) ! MACR=0.3400D+00*XO2+...\n & + 2.0000D-01 * RXRAT( 28 ) ! DCB1=0.2000D+00*XO2+...\n & + 2.0000D-01 * RXRAT( 29 ) ! DCB2=0.2000D+00*XO2+...\n & + 7.0000D-02 * RXRAT( 131 ) ! OP2+HO=0.7000D-01*XO2+...\n & + 7.0000D-02 * RXRAT( 132 ) ! OPB+HO=0.7000D-01*XO2+...\n & + 7.0000D-02 * RXRAT( 133 ) ! OP3+HO=0.7000D-01*XO2+...\n & + 3.5000D-01 * RXRAT( 137 ) ! PAA+HO=0.3500D+00*XO2+...\n & + RXRAT( 138 ) ! PAN+HO=XO2+NO3+HCHO\n & + RXRAT( 139 ) ! PPN+HO=XO2+NO3+HCHO\n & + 1.0000D-02 * RXRAT( 152 ) ! MVK+O3=0.1000D-01*XO2+...\n & + 1.0000D-01 * RXRAT( 153 ) ! UALD+O3=0.1000D+00*XO2+...\n & + 6.0000D-01 * RXRAT( 154 ) ! DCB1+O3=0.6000D+00*XO2+HO2+...\n & + 6.0000D-01 * RXRAT( 155 ) ! DCB2+O3=0.6000D+00*XO2+HO2+...\n & + 6.8000D-01 * RXRAT( 167 ) ! MACR+NO3=0.6800D+00*XO2+...\n & + RXRAT( 168 ) ! UALD+NO3=XO2+HO2+0.6680D+...\n & + 8.9000D-02 * RXRAT( 185 ) ! HC3P+NO=0.8900D-01*XO2+...\n & + 2.3500D-01 * RXRAT( 186 ) ! HC5P+NO=0.2350D+00*XO2+...\n & + 1.6000D-01 * RXRAT( 208 ) ! KETP+NO=0.1600D+00*XO2+...\n & + 7.0000D-01 * RXRAT( 211 ) ! MVKP+NO=0.7000D+00*XO2+...\n & + 2.6000D-02 * RXRAT( 265 ) ! HC3P+MO2=0.2600D-01*XO2+...\n & + 1.9100D-01 * RXRAT( 266 ) ! HC5P+MO2=0.1910D+00*XO2+...\n & + 1.1600D+00 * RXRAT( 290 ) ! MVKP+MO2=0.1160D+01*XO2+...\n & + 2.6000D-02 * RXRAT( 302 ) ! HC3P+ACO3=0.2600D-01*XO2+...\n & + 1.9100D-01 * RXRAT( 303 ) ! HC5P+ACO3=0.1910D+00*XO2+...\n & + 1.1600D+00 * RXRAT( 327 ) ! MVKP+ACO3=0.1160D+01*XO2+...\n & + 9.2000D-02 * RXRAT( 341 ) ! HC3P+NO3=0.9200D-01*XO2+...\n & + 4.8500D-01 * RXRAT( 342 ) ! HC5P+NO3=0.4850D+00*XO2+...\n & + 7.0000D-01 * RXRAT( 362 ) ! MVKP+NO3=0.7000D+00*XO2+...\n & + 6.8000D-01 * RXRAT( 395 ) ! ACRO+NO3=0.6800D+00*XO2+...\n LOSS( XO2 ) = RXRAT( 221 ) ! XO2+NO=NO2\n & + RXRAT( 262 ) ! XO2+HO2=OP2\n & + RXRAT( 300 ) ! XO2+MO2=HO2+HCHO\n & + RXRAT( 337 ) ! XO2+ACO3=MO2\n & + RXRAT( 375 ) ! XO2+NO3=NO2\n & + RXRAT( 376 ) ! XO2+RCO3=ETHP\n & + 2.0000D+00 * RXRAT( 377 ) ! XO2+XO2=\n\n PROD( MVK ) = 1.4000D-01 * RXRAT( 90 ) ! ISO+O3=0.1400D+00*MVK+...\n & + 2.6000D-01 * RXRAT( 91 ) ! ISO+NO3=0.2600D+00*MVK+...\n & + 5.1000D-01 * RXRAT( 94 ) ! ISOP+NO=0.5100D+00*MVK+...\n & + 1.3000D-01 * RXRAT( 96 ) ! ISHP+HO=0.1300D+00*MVK+...\n & + 1.5000D-01 * RXRAT( 98 ) ! INO2+NO=0.1500D+00*MVK+...\n & + 4.3000D-01 * RXRAT( 102 ) ! IPX+HO=0.4300D+00*MVK+...\n & + 2.5000D-01 * RXRAT( 274 ) ! ISOP+MO2=0.2500D+00*MVK+...\n & + 3.0500D-01 * RXRAT( 311 ) ! ISOP+ACO3=0.3050D+00*MVK+...\n & + 5.0000D-01 * RXRAT( 350 ) ! ISOP+NO3=0.5000D+00*MVK+...\n & + 4.8000D-01 * RXRAT( 380 ) ! APIP2+ISOP=0.4800D+00*MVK+...\n & + 4.8000D-01 * RXRAT( 383 ) ! LIMP2+ISOP=0.4800D+00*MVK+...\n & + 4.8000D-01 * RXRAT( 386 ) ! APINP2+ISOP=0.4800D+00*MVK+...\n & + 4.8000D-01 * RXRAT( 389 ) ! LIMNP2+ISOP=0.4800D+00*MVK+...\n & + 2.3100D-01 * RXRAT( 401 ) ! BDE13P+MO2=0.2310D+00*MVK+...\n & + 1.8500D-01 * RXRAT( 402 ) ! BDE13P+ACO3=0.1850D+00*MVK+...\n LOSS( MVK ) = RXRAT( 23 ) ! MVK=0.3000D+00*MO2+0.3000D+...\n & + RXRAT( 115 ) ! MVK+HO=MVKP\n & + RXRAT( 152 ) ! MVK+O3=0.1600D+00*HO+...\n\n PROD( GLY ) = 5.0000D-01 * RXRAT( 28 ) ! DCB1=0.5000D+00*GLY+...\n & + 5.0000D-01 * RXRAT( 29 ) ! DCB2=0.5000D+00*GLY+...\n & + 6.5000D-01 * RXRAT( 85 ) ! ACE+HO=0.6500D+00*GLY+...\n & + 2.0000D-02 * RXRAT( 96 ) ! ISHP+HO=0.2000D-01*GLY+...\n & + 1.0000D-01 * RXRAT( 119 ) ! DCB1+HO=0.1000D+00*GLY+...\n & + 1.0000D-01 * RXRAT( 120 ) ! DCB2+HO=0.1000D+00*GLY+...\n & + 2.7000D-01 * RXRAT( 121 ) ! DCB3+HO=0.2700D+00*GLY+...\n & + 4.9100D-01 * RXRAT( 153 ) ! UALD+O3=0.4910D+00*GLY+...\n & + 5.0000D-02 * RXRAT( 154 ) ! DCB1+O3=0.5000D-01*GLY+HO2+...\n & + 5.0000D-02 * RXRAT( 155 ) ! DCB2+O3=0.5000D-01*GLY+HO2+...\n & + 4.8000D-01 * RXRAT( 156 ) ! DCB3+O3=0.4800D+00*GLY+HO2+...\n & + 9.9800D-01 * RXRAT( 190 ) ! BENP+NO=0.9980D+00*GLY+...\n & + 5.4770D-01 * RXRAT( 191 ) ! TOLP+NO=0.5477D+00*GLY+...\n & + 7.0290D-01 * RXRAT( 192 ) ! XYLP+NO=0.7029D+00*GLY+...\n & + 5.4770D-01 * RXRAT( 193 ) ! EBZP+NO=0.5477D+00*GLY+...\n & + 1.8000D-01 * RXRAT( 212 ) ! UALP+NO=0.1800D+00*GLY+NO2+...\n & + 6.8000D-01 * RXRAT( 215 ) ! ADDC+NO=0.6800D+00*GLY+NO2+...\n & + RXRAT( 217 ) ! ORAP+NO=GLY+NO2+HO2\n & + RXRAT( 220 ) ! ADCN+NO=GLY+0.2000D+01*NO2+OP2\n & + 5.0000D-02 * RXRAT( 265 ) ! HC3P+MO2=0.5000D-01*GLY+...\n & + RXRAT( 270 ) ! BENP+MO2=GLY+0.1370D+...\n & + 5.4880D-01 * RXRAT( 271 ) ! TOLP+MO2=0.5488D+00*GLY+...\n & + 7.0430D-01 * RXRAT( 272 ) ! XYLP+MO2=0.7043D+00*GLY+...\n & + 5.4880D-01 * RXRAT( 273 ) ! EBZP+MO2=0.5488D+00*GLY+...\n & + 1.8000D-02 * RXRAT( 274 ) ! ISOP+MO2=0.1800D-01*GLY+...\n & + 1.3500D-01 * RXRAT( 291 ) ! UALP+MO2=0.1350D+00*GLY+...\n & + 6.8000D-01 * RXRAT( 294 ) ! ADDC+MO2=0.6800D+00*GLY+...\n & + RXRAT( 296 ) ! ORAP+MO2=GLY+HO2+HCHO\n & + 7.0000D-01 * RXRAT( 299 ) ! ADCN+MO2=0.7000D+00*GLY+...\n & + 6.7000D-02 * RXRAT( 302 ) ! HC3P+ACO3=0.6700D-01*GLY+...\n & + RXRAT( 307 ) ! BENP+ACO3=GLY+HO2+0.3000D+...\n & + 5.4880D-01 * RXRAT( 308 ) ! TOLP+ACO3=0.5488D+00*GLY+...\n & + 7.0430D-01 * RXRAT( 309 ) ! XYLP+ACO3=0.7043D+00*GLY+...\n & + 5.4880D-01 * RXRAT( 310 ) ! EBZP+ACO3=0.5488D+00*GLY+...\n & + 1.8000D-01 * RXRAT( 328 ) ! UALP+ACO3=0.1800D+00*GLY+...\n & + 6.8000D-01 * RXRAT( 331 ) ! ADDC+ACO3=0.6800D+00*GLY+...\n & + RXRAT( 333 ) ! ORAP+ACO3=GLY+MO2\n & + 7.0000D-01 * RXRAT( 336 ) ! ADCN+ACO3=0.7000D+00*GLY+...\n & + RXRAT( 346 ) ! BENP+NO3=GLY+HO2+0.0000D+...\n & + 5.4880D-01 * RXRAT( 347 ) ! TOLP+NO3=0.5488D+00*GLY+...\n & + 7.0430D-01 * RXRAT( 348 ) ! XYLP+NO3=0.7043D+00*GLY+...\n & + 5.4880D-01 * RXRAT( 349 ) ! EBZP+NO3=0.5488D+00*GLY+...\n & + 2.4000D-02 * RXRAT( 350 ) ! ISOP+NO3=0.2400D-01*GLY+...\n & + 1.8000D-01 * RXRAT( 363 ) ! UALP+NO3=0.1800D+00*GLY+...\n & + 6.8000D-01 * RXRAT( 366 ) ! ADDC+NO3=0.6800D+00*GLY+...\n & + RXRAT( 368 ) ! ORAP+NO3=GLY+NO2+HO2\n & + RXRAT( 371 ) ! ADCN+NO3=GLY+0.2000D+...\n & + 6.2000D-01 * RXRAT( 394 ) ! ACRO+O3=0.6200D+00*GLY+...\n & + 3.1000D-01 * RXRAT( 408 ) ! FURANONE+HO=0.3100D+00*GLY+...\n & + 4.6930D-01 * RXRAT( 491 ) ! VROCP6AROP+NO=0.4693D+...\n & + 4.7020D-01 * RXRAT( 492 ) ! VROCP6AROP+NO3=0.4702D+...\n & + 4.7020D-01 * RXRAT( 493 ) ! VROCP6AROP+MO2=0.4702D+...\n & + 4.7020D-01 * RXRAT( 494 ) ! VROCP6AROP+ACO3=0.4702D+...\n & + 4.6930D-01 * RXRAT( 497 ) ! VROCP5AROP+NO=0.4693D+...\n & + 4.7020D-01 * RXRAT( 498 ) ! VROCP5AROP+NO3=0.4702D+...\n & + 4.7020D-01 * RXRAT( 499 ) ! VROCP5AROP+MO2=0.4702D+...\n & + 4.7020D-01 * RXRAT( 500 ) ! VROCP5AROP+ACO3=0.4702D+...\n & + 4.6930D-01 * RXRAT( 503 ) ! NAPHP+NO=0.4693D+00*GLY+...\n & + 4.7020D-01 * RXRAT( 504 ) ! NAPHP+NO3=0.4702D+00*GLY+...\n & + 4.7020D-01 * RXRAT( 505 ) ! NAPHP+MO2=0.4702D+00*GLY+...\n & + 4.7020D-01 * RXRAT( 506 ) ! NAPHP+ACO3=0.4702D+00*GLY+...\n LOSS( GLY ) = RXRAT( 24 ) ! GLY=0.2000D+01*CO\n & + RXRAT( 25 ) ! GLY=HCHO+CO\n & + RXRAT( 26 ) ! GLY=0.2000D+01*HO2+0.2000D+...\n & + RXRAT( 117 ) ! GLY+HO=HO2+0.2000D+01*CO\n & + RXRAT( 169 ) ! GLY+NO3=HO2+0.2000D+01*CO+HNO3\n & + RXRAT( 421 ) ! GLY=AGLYJ\n\n PROD( MGLY ) = 5.0000D-01 * RXRAT( 28 ) ! DCB1=0.5000D+00*MGLY+...\n & + 5.0000D-01 * RXRAT( 29 ) ! DCB2=0.5000D+00*MGLY+...\n & + 5.0000D-02 * RXRAT( 92 ) ! ISO+HO=0.5000D-01*MGLY+...\n & + 4.0000D-02 * RXRAT( 96 ) ! ISHP+HO=0.4000D-01*MGLY+...\n & + RXRAT( 113 ) ! HKET+HO=MGLY+HO2\n & + 1.0000D-02 * RXRAT( 119 ) ! DCB1+HO=0.1000D-01*MGLY+...\n & + 1.0000D-02 * RXRAT( 120 ) ! DCB2+HO=0.1000D-01*MGLY+...\n & + 1.0000D-02 * RXRAT( 121 ) ! DCB3+HO=0.1000D-01*MGLY+...\n & + 5.0000D-01 * RXRAT( 151 ) ! MACR+O3=0.5000D+00*MGLY+...\n & + 5.4000D-01 * RXRAT( 152 ) ! MVK+O3=0.5400D+00*MGLY+...\n & + 3.0000D-03 * RXRAT( 153 ) ! UALD+O3=0.3000D-02*MGLY+...\n & + 8.0000D-02 * RXRAT( 154 ) ! DCB1+O3=0.8000D-01*MGLY+...\n & + 8.0000D-02 * RXRAT( 155 ) ! DCB2+O3=0.8000D-01*MGLY+...\n & + 6.8000D-01 * RXRAT( 167 ) ! MACR+NO3=0.6800D+00*MGLY+...\n & + 3.6510D-01 * RXRAT( 191 ) ! TOLP+NO=0.3651D+00*MGLY+...\n & + 2.4700D-01 * RXRAT( 192 ) ! XYLP+NO=0.2470D+00*MGLY+...\n & + 3.6510D-01 * RXRAT( 193 ) ! EBZP+NO=0.3651D+00*MGLY+...\n & + 5.4000D-01 * RXRAT( 208 ) ! KETP+NO=0.5400D+00*MGLY+...\n & + 3.0000D-01 * RXRAT( 211 ) ! MVKP+NO=0.3000D+00*MGLY+...\n & + 2.1000D-01 * RXRAT( 212 ) ! UALP+NO=0.2100D+00*MGLY+...\n & + 3.6590D-01 * RXRAT( 271 ) ! TOLP+MO2=0.3659D+00*MGLY+...\n & + 2.4750D-01 * RXRAT( 272 ) ! XYLP+MO2=0.2475D+00*MGLY+...\n & + 3.6590D-01 * RXRAT( 273 ) ! EBZP+MO2=0.3659D+00*MGLY+...\n & + 5.0000D-01 * RXRAT( 290 ) ! MVKP+MO2=0.5000D+00*MGLY+...\n & + 1.0500D-01 * RXRAT( 291 ) ! UALP+MO2=0.1050D+00*MGLY+...\n & + 3.6590D-01 * RXRAT( 308 ) ! TOLP+ACO3=0.3659D+00*MGLY+...\n & + 2.4750D-01 * RXRAT( 309 ) ! XYLP+ACO3=0.2475D+00*MGLY+...\n & + 3.6590D-01 * RXRAT( 310 ) ! EBZP+ACO3=0.3659D+00*MGLY+...\n & + 5.0000D-01 * RXRAT( 327 ) ! MVKP+ACO3=0.5000D+00*MGLY+...\n & + 1.0500D-01 * RXRAT( 328 ) ! UALP+ACO3=0.1050D+00*MGLY+...\n & + 3.6590D-01 * RXRAT( 347 ) ! TOLP+NO3=0.3659D+00*MGLY+...\n & + 2.4750D-01 * RXRAT( 348 ) ! XYLP+NO3=0.2475D+00*MGLY+...\n & + 3.6590D-01 * RXRAT( 349 ) ! EBZP+NO3=0.3659D+00*MGLY+...\n & + 3.0000D-01 * RXRAT( 362 ) ! MVKP+NO3=0.3000D+00*MGLY+...\n & + 2.1000D-01 * RXRAT( 363 ) ! UALP+NO3=0.2100D+00*MGLY+...\n & + 6.8000D-01 * RXRAT( 395 ) ! ACRO+NO3=0.6800D+00*MGLY+...\n & + 4.6930D-01 * RXRAT( 491 ) ! VROCP6AROP+NO=0.4693D+...\n & + 4.7020D-01 * RXRAT( 492 ) ! VROCP6AROP+NO3=0.4702D+...\n & + 4.7020D-01 * RXRAT( 493 ) ! VROCP6AROP+MO2=0.4702D+...\n & + 4.7020D-01 * RXRAT( 494 ) ! VROCP6AROP+ACO3=0.4702D+...\n & + 4.6930D-01 * RXRAT( 497 ) ! VROCP5AROP+NO=0.4693D+...\n & + 4.7020D-01 * RXRAT( 498 ) ! VROCP5AROP+NO3=0.4702D+...\n & + 4.7020D-01 * RXRAT( 499 ) ! VROCP5AROP+MO2=0.4702D+...\n & + 4.7020D-01 * RXRAT( 500 ) ! VROCP5AROP+ACO3=0.4702D+...\n & + 4.6930D-01 * RXRAT( 503 ) ! NAPHP+NO=0.4693D+00*MGLY+...\n & + 4.7020D-01 * RXRAT( 504 ) ! NAPHP+NO3=0.4702D+00*MGLY+...\n & + 4.7020D-01 * RXRAT( 505 ) ! NAPHP+MO2=0.4702D+00*MGLY+...\n & + 4.7020D-01 * RXRAT( 506 ) ! NAPHP+ACO3=0.4702D+00*MGLY+...\n LOSS( MGLY ) = RXRAT( 27 ) ! MGLY=HO2+ACO3+CO\n & + RXRAT( 118 ) ! MGLY+HO=ACO3+CO\n & + RXRAT( 170 ) ! MGLY+NO3=ACO3+CO+HNO3\n & + RXRAT( 422 ) ! MGLY=AGLYJ\n\n PROD( DCB1 ) = 7.0000D-01 * RXRAT( 155 ) ! DCB2+O3=0.7000D+00*DCB1+...\n & + 7.0000D-01 * RXRAT( 156 ) ! DCB3+O3=0.7000D+00*DCB1+...\n & + 5.4770D-01 * RXRAT( 191 ) ! TOLP+NO=0.5477D+00*DCB1+...\n & + 6.7000D-01 * RXRAT( 207 ) ! MEKP+NO=0.6700D+00*DCB1+...\n & + 5.4880D-01 * RXRAT( 271 ) ! TOLP+MO2=0.5488D+00*DCB1+...\n & + 3.3400D-01 * RXRAT( 286 ) ! MEKP+MO2=0.3340D+00*DCB1+...\n & + 5.0000D-01 * RXRAT( 287 ) ! KETP+MO2=0.5000D+00*DCB1+...\n & + 5.4880D-01 * RXRAT( 308 ) ! TOLP+ACO3=0.5488D+00*DCB1+...\n & + 3.3400D-01 * RXRAT( 323 ) ! MEKP+ACO3=0.3340D+00*DCB1+...\n & + 5.0000D-01 * RXRAT( 324 ) ! KETP+ACO3=0.5000D+00*DCB1+...\n & + 5.4880D-01 * RXRAT( 347 ) ! TOLP+NO3=0.5488D+00*DCB1+...\n & + 6.7000D-01 * RXRAT( 358 ) ! MEKP+NO3=0.6700D+00*DCB1+...\n & + RXRAT( 359 ) ! KETP+NO3=DCB1+NO2+HO2\n & + 4.9000D-01 * RXRAT( 405 ) ! FURAN+HO=0.4900D+00*DCB1+...\n & + 8.0000D-01 * RXRAT( 410 ) ! FURAN+NO3=0.8000D+00*DCB1+...\n & + 2.5810D-01 * RXRAT( 507 ) ! VROCN2OXY8+HO=0.2581D+...\n & + 7.9400D-02 * RXRAT( 508 ) ! VROCN2OXY4+HO=0.7940D-...\n & + 3.9000D-02 * RXRAT( 509 ) ! VROCN2OXY2+HO=0.3900D-...\n & + 1.8400D-01 * RXRAT( 510 ) ! VROCN1OXY6+HO=0.1840D+...\n & + 6.4600D-02 * RXRAT( 511 ) ! VROCN1OXY3+HO=0.6460D-...\n & + 2.4400D-02 * RXRAT( 512 ) ! VROCN1OXY1+HO=0.2440D-...\n & + 1.0680D-01 * RXRAT( 513 ) ! VROCP0OXY4+HO=0.1068D+...\n & + 4.4500D-02 * RXRAT( 514 ) ! VROCP0OXY2+HO=0.4450D-...\n & + 8.1800D-02 * RXRAT( 515 ) ! VROCP1OXY3+HO=0.8180D-...\n & + 2.9700D-02 * RXRAT( 516 ) ! VROCP1OXY1+HO=0.2970D-...\n & + 6.2800D-02 * RXRAT( 517 ) ! VROCP2OXY2+HO=0.6280D-...\n & + 6.9800D-02 * RXRAT( 518 ) ! VROCP3OXY2+HO=0.6980D-...\n & + 7.8600D-02 * RXRAT( 519 ) ! VROCP4OXY2+HO=0.7860D-...\n & + 5.2600D-02 * RXRAT( 520 ) ! VROCP5OXY1+HO=0.5260D-...\n & + 5.7100D-02 * RXRAT( 521 ) ! VROCP6OXY1+HO=0.5710D-...\n & + 2.2660D-01 * RXRAT( 522 ) ! OP3+HO=0.2266D+00*DCB1+...\n LOSS( DCB1 ) = RXRAT( 28 ) ! DCB1=0.1500D+01*HO2+...\n & + RXRAT( 119 ) ! DCB1+HO=0.5200D+00*HO2+...\n & + RXRAT( 154 ) ! DCB1+O3=0.5000D-01*HO+HO2+...\n\n PROD( DCB2 ) = 2.4950D-01 * RXRAT( 190 ) ! BENP+NO=0.2495D+00*DCB2+...\n & + 5.9840D-01 * RXRAT( 192 ) ! XYLP+NO=0.5984D+00*DCB2+...\n & + 4.5640D-01 * RXRAT( 193 ) ! EBZP+NO=0.4564D+00*DCB2+...\n & + 2.5000D-01 * RXRAT( 270 ) ! BENP+MO2=0.2500D+00*DCB2+...\n & + 5.9960D-01 * RXRAT( 272 ) ! XYLP+MO2=0.5996D+00*DCB2+...\n & + 4.5730D-01 * RXRAT( 273 ) ! EBZP+MO2=0.4573D+00*DCB2+...\n & + 2.5000D-01 * RXRAT( 307 ) ! BENP+ACO3=0.2500D+00*DCB2+...\n & + 5.9960D-01 * RXRAT( 309 ) ! XYLP+ACO3=0.5996D+00*DCB2+...\n & + 4.5730D-01 * RXRAT( 310 ) ! EBZP+ACO3=0.4573D+00*DCB2+...\n & + 2.5000D-01 * RXRAT( 346 ) ! BENP+NO3=0.2500D+00*DCB2+...\n & + 5.9960D-01 * RXRAT( 348 ) ! XYLP+NO3=0.5996D+00*DCB2+...\n & + 4.5730D-01 * RXRAT( 349 ) ! EBZP+NO3=0.4573D+00*DCB2+...\n & + 4.6930D-01 * RXRAT( 491 ) ! VROCP6AROP+NO=0.4693D+...\n & + 4.7020D-01 * RXRAT( 492 ) ! VROCP6AROP+NO3=0.4702D+...\n & + 4.7020D-01 * RXRAT( 493 ) ! VROCP6AROP+MO2=0.4702D+...\n & + 4.7020D-01 * RXRAT( 494 ) ! VROCP6AROP+ACO3=0.4702D+...\n & + 4.6930D-01 * RXRAT( 497 ) ! VROCP5AROP+NO=0.4693D+...\n & + 4.7020D-01 * RXRAT( 498 ) ! VROCP5AROP+NO3=0.4702D+...\n & + 4.7020D-01 * RXRAT( 499 ) ! VROCP5AROP+MO2=0.4702D+...\n & + 4.7020D-01 * RXRAT( 500 ) ! VROCP5AROP+ACO3=0.4702D+...\n & + 4.6930D-01 * RXRAT( 503 ) ! NAPHP+NO=0.4693D+00*DCB2+...\n & + 4.7020D-01 * RXRAT( 504 ) ! NAPHP+NO3=0.4702D+00*DCB2+...\n & + 4.7020D-01 * RXRAT( 505 ) ! NAPHP+MO2=0.4702D+00*DCB2+...\n & + 4.7020D-01 * RXRAT( 506 ) ! NAPHP+ACO3=0.4702D+00*DCB2+...\n LOSS( DCB2 ) = RXRAT( 29 ) ! DCB2=0.1500D+01*HO2+...\n & + RXRAT( 120 ) ! DCB2+HO=0.5200D+00*HO2+...\n & + RXRAT( 155 ) ! DCB2+O3=0.5000D-01*HO+HO2+...\n\n PROD( BALD ) = 2.0000D-02 * RXRAT( 145 ) ! OLT+O3=0.2000D-01*BALD+...\n & + 8.5200D-02 * RXRAT( 191 ) ! TOLP+NO=0.8520D-01*BALD+...\n & + 4.8100D-02 * RXRAT( 192 ) ! XYLP+NO=0.4810D-01*BALD+...\n & + 8.5200D-02 * RXRAT( 193 ) ! EBZP+NO=0.8520D-01*BALD+...\n & + 8.5400D-02 * RXRAT( 271 ) ! TOLP+MO2=0.8540D-01*BALD+...\n & + 4.8200D-02 * RXRAT( 272 ) ! XYLP+MO2=0.4820D-01*BALD+...\n & + 8.5400D-02 * RXRAT( 273 ) ! EBZP+MO2=0.8540D-01*BALD+...\n & + 8.5400D-02 * RXRAT( 308 ) ! TOLP+ACO3=0.8540D-01*BALD+...\n & + 4.8200D-02 * RXRAT( 309 ) ! XYLP+ACO3=0.4820D-01*BALD+...\n & + 8.5400D-02 * RXRAT( 310 ) ! EBZP+ACO3=0.8540D-01*BALD+...\n & + 8.5400D-02 * RXRAT( 347 ) ! TOLP+NO3=0.8540D-01*BALD+...\n & + 4.8200D-02 * RXRAT( 348 ) ! XYLP+NO3=0.4820D-01*BALD+...\n & + 8.5400D-02 * RXRAT( 349 ) ! EBZP+NO3=0.8540D-01*BALD+...\n & + 5.9400D-02 * RXRAT( 491 ) ! VROCP6AROP+NO=0.5940D-...\n & + 5.9500D-02 * RXRAT( 492 ) ! VROCP6AROP+NO3=0.5950D-...\n & + 5.9500D-02 * RXRAT( 493 ) ! VROCP6AROP+MO2=0.5950D-...\n & + 5.9500D-02 * RXRAT( 494 ) ! VROCP6AROP+ACO3=0.5950D-...\n & + RXRAT( 528 ) ! STYP+NO=BALD+HO2+HCHO+NO2\n & + RXRAT( 529 ) ! STYP+NO3=BALD+HO2+HCHO+NO2\n & + RXRAT( 530 ) ! STYP+MO2=BALD+0.1680D+...\n & + RXRAT( 531 ) ! STYP+ACO3=BALD+HCHO+HO2+...\n LOSS( BALD ) = RXRAT( 30 ) ! BALD=CHO+HO2+CO\n & + RXRAT( 122 ) ! BALD+HO=BALP\n\n PROD( CHO ) = RXRAT( 30 ) ! BALD=CHO+HO2+CO\n & + 5.9000D-02 * RXRAT( 123 ) ! PHEN+HO=0.5900D-01*CHO+...\n & + 5.6000D-02 * RXRAT( 124 ) ! CSL+HO=0.5600D-01*CHO+...\n & + 3.3900D-01 * RXRAT( 171 ) ! PHEN+NO3=0.3390D+00*CHO+...\n & + 3.2000D-01 * RXRAT( 172 ) ! CSL+NO3=0.3200D+00*CHO+...\n LOSS( CHO ) = RXRAT( 223 ) ! CHO+NO2=ONIT\n & + RXRAT( 256 ) ! CHO+HO2=CSL\n\n PROD( OP1 ) = 3.8500D-02 * RXRAT( 147 ) ! API+O3=0.3850D-01*OP1+...\n & + 2.3000D-01 * RXRAT( 149 ) ! LIMAL+O3=0.2300D+00*OP1+...\n & + RXRAT( 225 ) ! MO2+HO2=OP1\n LOSS( OP1 ) = RXRAT( 31 ) ! OP1=HO+HO2+HCHO\n & + RXRAT( 130 ) ! OP1+HO=0.3500D+00*HO+...\n\n PROD( OP2 ) = 7.8000D-01 * RXRAT( 120 ) ! DCB2+HO=0.7800D+00*OP2+...\n & + 7.9000D-01 * RXRAT( 121 ) ! DCB3+HO=0.7900D+00*OP2+...\n & + 6.5000D-01 * RXRAT( 154 ) ! DCB1+O3=0.6500D+00*OP2+HO2+...\n & + 6.5000D-01 * RXRAT( 155 ) ! DCB2+O3=0.6500D+00*OP2+HO2+...\n & + 6.8000D-01 * RXRAT( 215 ) ! ADDC+NO=0.6800D+00*OP2+NO2+...\n & + RXRAT( 220 ) ! ADCN+NO=OP2+GLY+0.2000D+01*NO2\n & + RXRAT( 226 ) ! ETHP+HO2=OP2\n & + RXRAT( 227 ) ! HC3P+HO2=OP2\n & + RXRAT( 228 ) ! HC5P+HO2=OP2\n & + RXRAT( 229 ) ! ETEP+HO2=OP2\n & + RXRAT( 230 ) ! OLTP+HO2=OP2\n & + RXRAT( 231 ) ! OLIP+HO2=OP2\n & + 6.0210D-01 * RXRAT( 232 ) ! BENP+HO2=0.6021D+00*OP2+...\n & + 7.1950D-01 * RXRAT( 233 ) ! TOLP+HO2=0.7195D+00*OP2+...\n & + 4.8200D-02 * RXRAT( 234 ) ! XYLP+HO2=0.4820D-01*OP2+...\n & + 8.5400D-02 * RXRAT( 235 ) ! EBZP+HO2=0.8540D-01*OP2+...\n & + 8.5000D-01 * RXRAT( 248 ) ! ACTP+HO2=0.8500D+00*OP2+...\n & + RXRAT( 249 ) ! MEKP+HO2=OP2\n & + RXRAT( 250 ) ! KETP+HO2=OP2\n & + RXRAT( 253 ) ! MVKP+HO2=OP2\n & + RXRAT( 254 ) ! UALP+HO2=OP2\n & + RXRAT( 255 ) ! ADDC+HO2=OP2\n & + RXRAT( 257 ) ! MCTP+HO2=OP2\n & + RXRAT( 258 ) ! ORAP+HO2=OP2\n & + RXRAT( 261 ) ! ADCN+HO2=OP2\n & + RXRAT( 262 ) ! XO2+HO2=OP2\n & + 6.8000D-01 * RXRAT( 294 ) ! ADDC+MO2=0.6800D+00*OP2+...\n & + 7.0000D-01 * RXRAT( 299 ) ! ADCN+MO2=0.7000D+00*OP2+...\n & + 6.8000D-01 * RXRAT( 331 ) ! ADDC+ACO3=0.6800D+00*OP2+...\n & + 7.0000D-01 * RXRAT( 336 ) ! ADCN+ACO3=0.7000D+00*OP2+...\n & + 6.8000D-01 * RXRAT( 366 ) ! ADDC+NO3=0.6800D+00*OP2+...\n & + RXRAT( 371 ) ! ADCN+NO3=OP2+GLY+0.2000D+...\n & + RXRAT( 400 ) ! BDE13P+HO2=OP2\n & + 6.0000D-01 * RXRAT( 407 ) ! FURANO2+HO2=0.6000D+00*OP2+...\n & + RXRAT( 460 ) ! HC10P+HO2=OP2\n & + 4.0000D-03 * RXRAT( 508 ) ! VROCN2OXY4+HO=0.4000D-...\n & + 1.3500D-02 * RXRAT( 511 ) ! VROCN1OXY3+HO=0.1350D-...\n & + 6.2000D-03 * RXRAT( 512 ) ! VROCN1OXY1+HO=0.6200D-...\n & + 5.4000D-03 * RXRAT( 513 ) ! VROCP0OXY4+HO=0.5400D-...\n & + 1.7000D-02 * RXRAT( 515 ) ! VROCP1OXY3+HO=0.1700D-...\n & + 2.5000D-03 * RXRAT( 516 ) ! VROCP1OXY1+HO=0.2500D-...\n & + 2.3000D-03 * RXRAT( 517 ) ! VROCP2OXY2+HO=0.2300D-...\n & + 1.1400D-02 * RXRAT( 518 ) ! VROCP3OXY2+HO=0.1140D-...\n & + 1.5500D-02 * RXRAT( 519 ) ! VROCP4OXY2+HO=0.1550D-...\n & + 3.8400D-02 * RXRAT( 520 ) ! VROCP5OXY1+HO=0.3840D-...\n & + 5.8500D-02 * RXRAT( 521 ) ! VROCP6OXY1+HO=0.5850D-...\n LOSS( OP2 ) = RXRAT( 32 ) ! OP2=HO+HO2+ALD\n & + RXRAT( 131 ) ! OP2+HO=0.1000D-01*HO+...\n\n PROD( OPB ) = 7.1500D-02 * RXRAT( 194 ) ! APIP1+NO=0.7150D-01*OPB+...\n & + 7.6200D-01 * RXRAT( 236 ) ! APIP1+HO2=0.7620D+00*OPB+...\n & + 9.0000D-01 * RXRAT( 240 ) ! LIMP1+HO2=0.9000D+00*OPB+...\n & + 7.5000D-01 * RXRAT( 244 ) ! PINALP+HO2=0.7500D+00*OPB+...\n & + 9.0000D-01 * RXRAT( 245 ) ! LIMALP+HO2=0.9000D+00*OPB+...\n & + 8.4500D-02 * RXRAT( 275 ) ! APIP1+MO2=0.8450D-01*OPB+...\n & + 9.1000D-02 * RXRAT( 312 ) ! APIP1+ACO3=0.9100D-01*OPB+...\n & + 9.1000D-02 * RXRAT( 351 ) ! APIP1+NO3=0.9100D-01*OPB+...\n LOSS( OPB ) = RXRAT( 33 ) ! OPB=HO+HO2+ALD\n & + RXRAT( 132 ) ! OPB+HO=0.1000D-01*HO+...\n\n PROD( OP3 ) = 6.7470D-01 * RXRAT( 234 ) ! XYLP+HO2=0.6747D+00*OP3+...\n & + 6.3410D-01 * RXRAT( 235 ) ! EBZP+HO2=0.6341D+00*OP3+...\n & + 3.0800D-02 * RXRAT( 508 ) ! VROCN2OXY4+HO=0.3080D-...\n & + 2.6000D-03 * RXRAT( 509 ) ! VROCN2OXY2+HO=0.2600D-...\n & + 1.6300D-02 * RXRAT( 512 ) ! VROCN1OXY1+HO=0.1630D-...\n & + 1.0500D-02 * RXRAT( 514 ) ! VROCP0OXY2+HO=0.1050D-...\n & + 1.5400D-02 * RXRAT( 515 ) ! VROCP1OXY3+HO=0.1540D-...\n & + 6.6000D-03 * RXRAT( 516 ) ! VROCP1OXY1+HO=0.6600D-...\n & + 4.1000D-03 * RXRAT( 517 ) ! VROCP2OXY2+HO=0.4100D-...\n & + 5.0600D-02 * RXRAT( 518 ) ! VROCP3OXY2+HO=0.5060D-...\n & + 6.0700D-02 * RXRAT( 519 ) ! VROCP4OXY2+HO=0.6070D-...\n & + 2.1600D-02 * RXRAT( 520 ) ! VROCP5OXY1+HO=0.2160D-...\n & + 3.1600D-02 * RXRAT( 521 ) ! VROCP6OXY1+HO=0.3160D-...\n LOSS( OP3 ) = RXRAT( 34 ) ! OP3=HO+HO2+ALD\n & + RXRAT( 133 ) ! OP3+HO=0.1000D-01*HO+...\n & + RXRAT( 522 ) ! OP3+HO=HO+0.1188D+...\n\n PROD( PAA ) = 1.1000D-01 * RXRAT( 156 ) ! DCB3+O3=0.1100D+00*PAA+HO2+...\n & + 3.6000D-01 * RXRAT( 203 ) ! LIMALP+NO=0.3600D+00*PAA+...\n & + 1.0000D-01 * RXRAT( 245 ) ! LIMALP+HO2=0.1000D+00*PAA+...\n & + 4.1000D-01 * RXRAT( 246 ) ! ACO3+HO2=0.4100D+00*PAA+...\n & + 4.1000D-01 * RXRAT( 247 ) ! RCO3+HO2=0.4100D+00*PAA+...\n LOSS( PAA ) = RXRAT( 35 ) ! PAA=HO+MO2\n & + RXRAT( 137 ) ! PAA+HO=0.3500D+00*HO+...\n\n PROD( ONIT ) = RXRAT( 168 ) ! UALD+NO3=ONIT+XO2+0.6680D+...\n & + 6.5000D-02 * RXRAT( 185 ) ! HC3P+NO=0.6500D-01*ONIT+...\n & + 1.3600D-01 * RXRAT( 186 ) ! HC5P+NO=0.1360D+00*ONIT+...\n & + 3.0000D-02 * RXRAT( 188 ) ! OLTP+NO=0.3000D-01*ONIT+...\n & + 5.0000D-02 * RXRAT( 189 ) ! OLIP+NO=0.5000D-01*ONIT+...\n & + 2.0000D-04 * RXRAT( 191 ) ! TOLP+NO=0.2000D-03*ONIT+...\n & + 1.0000D-04 * RXRAT( 192 ) ! XYLP+NO=0.1000D-03*ONIT+...\n & + 2.0000D-04 * RXRAT( 193 ) ! EBZP+NO=0.2000D-03*ONIT+...\n & + 7.0000D-02 * RXRAT( 196 ) ! APINP1+NO=0.7000D-01*ONIT+...\n & + 7.0000D-02 * RXRAT( 200 ) ! LIMNP1+NO=0.7000D-01*ONIT+...\n & + RXRAT( 218 ) ! OLNN+NO=ONIT+HO2+NO2\n & + RXRAT( 222 ) ! BAL2+NO2=ONIT\n & + RXRAT( 223 ) ! CHO+NO2=ONIT\n & + RXRAT( 224 ) ! MCTO+NO2=ONIT\n & + RXRAT( 259 ) ! OLNN+HO2=ONIT\n & + RXRAT( 260 ) ! OLND+HO2=ONIT\n & + RXRAT( 297 ) ! OLNN+MO2=ONIT+HCHO+0.2000D+...\n & + 5.0000D-01 * RXRAT( 298 ) ! OLND+MO2=0.5000D+00*ONIT+...\n & + 3.0000D-01 * RXRAT( 299 ) ! ADCN+MO2=0.3000D+00*ONIT+...\n & + RXRAT( 334 ) ! OLNN+ACO3=ONIT+MO2+HO2\n & + 3.0000D-01 * RXRAT( 336 ) ! ADCN+ACO3=0.3000D+00*ONIT+...\n & + RXRAT( 369 ) ! OLNN+NO3=ONIT+NO2+HO2\n & + 2.0000D+00 * RXRAT( 372 ) ! OLNN+OLNN=0.2000D+01*ONIT+HO2\n & + 1.5000D+00 * RXRAT( 373 ) ! OLNN+OLND=0.1500D+01*ONIT+...\n & + RXRAT( 374 ) ! OLND+OLND=ONIT+0.5040D+...\n & + 3.2000D-02 * RXRAT( 398 ) ! BDE13P+NO=0.3200D-01*ONIT+...\n & + 8.0000D-02 * RXRAT( 406 ) ! FURANO2+NO=0.8000D-01*ONIT+...\n & + 2.6000D-01 * RXRAT( 446 ) ! HC10P+NO=0.2600D+00*ONIT+...\n & + 1.2000D-01 * RXRAT( 474 ) ! HC10P2+NO=0.1200D+00*ONIT+...\n LOSS( ONIT ) = RXRAT( 36 ) ! ONIT=HO2+NO2+0.2000D+...\n & + RXRAT( 141 ) ! ONIT+HO=HC3P+NO2\n\n PROD( TRPN ) = 2.3700D-01 * RXRAT( 194 ) ! APIP1+NO=0.2370D+00*TRPN+...\n & + 2.3450D-01 * RXRAT( 196 ) ! APINP1+NO=0.2345D+00*TRPN+...\n & + 2.3000D-01 * RXRAT( 198 ) ! LIMP1+NO=0.2300D+00*TRPN+...\n & + 5.7000D-01 * RXRAT( 200 ) ! LIMNP1+NO=0.5700D+00*TRPN+...\n & + 3.6000D-01 * RXRAT( 202 ) ! PINALP+NO=0.3600D+00*TRPN+...\n & + 6.4000D-01 * RXRAT( 203 ) ! LIMALP+NO=0.6400D+00*TRPN+...\n & + 4.6100D-01 * RXRAT( 238 ) ! APINP1+HO2=0.4610D+00*TRPN+...\n & + 7.7000D-01 * RXRAT( 242 ) ! LIMNP1+HO2=0.7700D+00*TRPN+...\n & + 3.4100D-01 * RXRAT( 277 ) ! APINP1+MO2=0.3410D+00*TRPN+...\n & + 6.9000D-01 * RXRAT( 281 ) ! LIMNP1+MO2=0.6900D+00*TRPN+...\n & + 1.7500D-01 * RXRAT( 314 ) ! APINP1+ACO3=0.1750D+...\n & + 5.4000D-01 * RXRAT( 318 ) ! LIMNP1+ACO3=0.5400D+...\n & + 1.7500D-01 * RXRAT( 353 ) ! APINP1+NO3=0.1750D+00*TRPN+...\n & + 5.4000D-01 * RXRAT( 354 ) ! LIMNP1+NO3=0.5400D+00*TRPN+...\n LOSS( TRPN ) = RXRAT( 39 ) ! TRPN=NO2+0.6700D+00*KET+...\n & + RXRAT( 142 ) ! TRPN+HO=0.3300D+00*HONIT+...\n & + RXRAT( 150 ) ! TRPN+O3=0.3300D+00*HONIT+...\n & + RXRAT( 163 ) ! TRPN+NO3=0.3300D+00*HONIT+...\n\n PROD( HONIT ) = 3.3000D-01 * RXRAT( 142 ) ! TRPN+HO=0.3300D+00*HONIT+...\n & + 3.3000D-01 * RXRAT( 150 ) ! TRPN+O3=0.3300D+00*HONIT+...\n & + 3.3000D-01 * RXRAT( 163 ) ! TRPN+NO3=0.3300D+00*HONIT+...\n LOSS( HONIT ) = RXRAT( 40 ) ! HONIT=HKET+NO2\n & + RXRAT( 143 ) ! HONIT+HO=HKET+NO3\n\n PROD( SO2 ) = 0.0D0\n LOSS( SO2 ) = RXRAT( 76 ) ! SO2+HO=HO2+SULF+SULRXN\n\n PROD( SULF ) = RXRAT( 76 ) ! SO2+HO=SULF+HO2+SULRXN\n LOSS( SULF ) = 0.0D0\n\n PROD( SULRXN ) = RXRAT( 76 ) ! SO2+HO=SULRXN+SULF+HO2\n LOSS( SULRXN ) = 0.0D0\n\n PROD( ETH ) = 2.0000D-02 * RXRAT( 145 ) ! OLT+O3=0.2000D-01*ETH+...\n & + 1.0000D-02 * RXRAT( 146 ) ! OLI+O3=0.1000D-01*ETH+...\n LOSS( ETH ) = RXRAT( 79 ) ! ETH+HO=ETHP\n\n PROD( HC3 ) = 1.5000D-02 * RXRAT( 145 ) ! OLT+O3=0.1500D-01*HC3+...\n & + 1.0000D-02 * RXRAT( 146 ) ! OLI+O3=0.1000D-01*HC3+...\n & + 6.6500D-02 * RXRAT( 147 ) ! API+O3=0.6650D-01*HC3+...\n LOSS( HC3 ) = RXRAT( 80 ) ! HC3+HO=HC3P+0.2810D-04*ASOATJ\n\n PROD( HC3P ) = RXRAT( 80 ) ! HC3+HO=HC3P+0.2810D-04*ASOATJ\n & + 4.4000D-01 * RXRAT( 131 ) ! OP2+HO=0.4400D+00*HC3P+...\n & + RXRAT( 141 ) ! ONIT+HO=HC3P+NO2\n & + 4.0000D-02 * RXRAT( 145 ) ! OLT+O3=0.4000D-01*HC3P+...\n & + 4.0000D-02 * RXRAT( 146 ) ! OLI+O3=0.4000D-01*HC3P+...\n & + 2.5810D-01 * RXRAT( 507 ) ! VROCN2OXY8+HO=0.2581D+...\n & + 7.9400D-02 * RXRAT( 508 ) ! VROCN2OXY4+HO=0.7940D-...\n & + 3.9000D-02 * RXRAT( 509 ) ! VROCN2OXY2+HO=0.3900D-...\n & + 1.8400D-01 * RXRAT( 510 ) ! VROCN1OXY6+HO=0.1840D+...\n & + 6.4600D-02 * RXRAT( 511 ) ! VROCN1OXY3+HO=0.6460D-...\n & + 2.4400D-02 * RXRAT( 512 ) ! VROCN1OXY1+HO=0.2440D-...\n & + 1.0680D-01 * RXRAT( 513 ) ! VROCP0OXY4+HO=0.1068D+...\n & + 4.4500D-02 * RXRAT( 514 ) ! VROCP0OXY2+HO=0.4450D-...\n & + 8.1800D-02 * RXRAT( 515 ) ! VROCP1OXY3+HO=0.8180D-...\n & + 2.9700D-02 * RXRAT( 516 ) ! VROCP1OXY1+HO=0.2970D-...\n & + 6.2800D-02 * RXRAT( 517 ) ! VROCP2OXY2+HO=0.6280D-...\n & + 6.9800D-02 * RXRAT( 518 ) ! VROCP3OXY2+HO=0.6980D-...\n & + 7.8600D-02 * RXRAT( 519 ) ! VROCP4OXY2+HO=0.7860D-...\n & + 5.2600D-02 * RXRAT( 520 ) ! VROCP5OXY1+HO=0.5260D-...\n & + 5.7100D-02 * RXRAT( 521 ) ! VROCP6OXY1+HO=0.5710D-...\n & + 2.2660D-01 * RXRAT( 522 ) ! OP3+HO=0.2266D+00*HC3P+...\n LOSS( HC3P ) = RXRAT( 185 ) ! HC3P+NO=0.6600D+00*HO2+...\n & + RXRAT( 227 ) ! HC3P+HO2=OP2\n & + RXRAT( 265 ) ! HC3P+MO2=0.8940D+00*HO2+...\n & + RXRAT( 302 ) ! HC3P+ACO3=0.3940D+00*HO2+...\n & + RXRAT( 341 ) ! HC3P+NO3=0.2540D+00*HO2+...\n\n PROD( ASOATJ ) = 2.8100D-05 * RXRAT( 80 ) ! HC3+HO=0.2810D-04*ASOATJ+HC3P\n & + 1.3400D-03 * RXRAT( 81 ) ! HC5+HO=0.1340D-02*ASOATJ+HC5P\n & + 1.5200D-01 * RXRAT( 123 ) ! PHEN+HO=0.1520D+00*ASOATJ+...\n & + 2.0000D-01 * RXRAT( 124 ) ! CSL+HO=0.2000D+00*ASOATJ+...\n & + 1.5200D-01 * RXRAT( 171 ) ! PHEN+NO3=0.1520D+00*ASOATJ+...\n & + 2.0000D-01 * RXRAT( 172 ) ! CSL+NO3=0.2000D+00*ASOATJ+...\n & + 1.4900D-01 * RXRAT( 391 ) ! VROCIOXY+HO=0.1490D+...\n & + 1.0100D-03 * RXRAT( 392 ) ! SLOWROC+HO=0.1010D-...\n & + 4.0000D-02 * RXRAT( 408 ) ! FURANONE+HO=0.4000D-...\n LOSS( ASOATJ ) = 0.0D0\n\n PROD( HC5 ) = 6.0000D-03 * RXRAT( 145 ) ! OLT+O3=0.6000D-02*HC5+...\n LOSS( HC5 ) = RXRAT( 81 ) ! HC5+HO=HC5P+0.1340D-02*ASOATJ\n\n PROD( HC5P ) = RXRAT( 81 ) ! HC5+HO=HC5P+0.1340D-02*ASOATJ\n & + 2.0000D-02 * RXRAT( 145 ) ! OLT+O3=0.2000D-01*HC5P+...\n & + 7.9400D-02 * RXRAT( 508 ) ! VROCN2OXY4+HO=0.7940D-...\n & + 9.2500D-02 * RXRAT( 509 ) ! VROCN2OXY2+HO=0.9250D-...\n & + 1.8400D-01 * RXRAT( 510 ) ! VROCN1OXY6+HO=0.1840D+...\n & + 1.7530D-01 * RXRAT( 511 ) ! VROCN1OXY3+HO=0.1753D+...\n & + 5.3700D-02 * RXRAT( 512 ) ! VROCN1OXY1+HO=0.5370D-...\n & + 1.0680D-01 * RXRAT( 513 ) ! VROCP0OXY4+HO=0.1068D+...\n & + 1.0550D-01 * RXRAT( 514 ) ! VROCP0OXY2+HO=0.1055D+...\n & + 2.2200D-01 * RXRAT( 515 ) ! VROCP1OXY3+HO=0.2220D+...\n & + 6.5400D-02 * RXRAT( 516 ) ! VROCP1OXY1+HO=0.6540D-...\n & + 1.4890D-01 * RXRAT( 517 ) ! VROCP2OXY2+HO=0.1489D+...\n & + 1.6560D-01 * RXRAT( 518 ) ! VROCP3OXY2+HO=0.1656D+...\n & + 1.7300D-01 * RXRAT( 519 ) ! VROCP4OXY2+HO=0.1730D+...\n & + 1.2800D-01 * RXRAT( 520 ) ! VROCP5OXY1+HO=0.1280D+...\n & + 1.5440D-01 * RXRAT( 521 ) ! VROCP6OXY1+HO=0.1544D+...\n LOSS( HC5P ) = RXRAT( 186 ) ! HC5P+NO=0.2000D+00*HO2+...\n & + RXRAT( 228 ) ! HC5P+HO2=OP2\n & + RXRAT( 266 ) ! HC5P+MO2=0.8420D+00*HO2+...\n & + RXRAT( 303 ) ! HC5P+ACO3=0.3420D+00*HO2+...\n & + RXRAT( 342 ) ! HC5P+NO3=0.4880D+00*HO2+...\n\n PROD( ETE ) = 2.5000D-01 * RXRAT( 396 ) ! ACRO=0.2500D+00*ETE+...\n & + 1.7000D-01 * RXRAT( 403 ) ! BDE13+O3=0.1700D+00*ETE+...\n LOSS( ETE ) = RXRAT( 82 ) ! ETE+HO=ETEP\n & + RXRAT( 144 ) ! ETE+O3=0.8000D-01*HO+...\n & + RXRAT( 158 ) ! ETE+NO3=0.8000D+00*OLNN+...\n\n PROD( ETEP ) = RXRAT( 82 ) ! ETE+HO=ETEP\n LOSS( ETEP ) = RXRAT( 187 ) ! ETEP+NO=HO2+NO2+0.1600D+...\n & + RXRAT( 229 ) ! ETEP+HO2=OP2\n & + RXRAT( 267 ) ! ETEP+MO2=HO2+0.1950D+...\n & + RXRAT( 304 ) ! ETEP+ACO3=0.5000D+00*HO2+...\n & + RXRAT( 343 ) ! ETEP+NO3=HO2+NO2+0.1600D+...\n\n PROD( OLT ) = 1.5300D-01 * RXRAT( 90 ) ! ISO+O3=0.1530D+00*OLT+...\n & + 2.5000D-01 * RXRAT( 401 ) ! BDE13P+MO2=0.2500D+00*OLT+...\n LOSS( OLT ) = RXRAT( 83 ) ! OLT+HO=OLTP\n & + RXRAT( 145 ) ! OLT+O3=0.2200D+00*HO+...\n & + RXRAT( 159 ) ! OLT+NO3=0.4300D+00*OLNN+...\n\n PROD( OLTP ) = RXRAT( 83 ) ! OLT+HO=OLTP\n LOSS( OLTP ) = RXRAT( 188 ) ! OLTP+NO=0.7800D+00*HO2+...\n & + RXRAT( 230 ) ! OLTP+HO2=OP2\n & + RXRAT( 268 ) ! OLTP+MO2=HO2+0.1500D+...\n & + RXRAT( 305 ) ! OLTP+ACO3=0.5000D+00*HO2+...\n & + RXRAT( 344 ) ! OLTP+NO3=0.4700D+00*ALD+...\n\n PROD( OLI ) = 0.0D0\n LOSS( OLI ) = RXRAT( 84 ) ! OLI+HO=OLIP\n & + RXRAT( 146 ) ! OLI+O3=0.4600D+00*HO+...\n & + RXRAT( 160 ) ! OLI+NO3=0.1100D+00*OLNN+...\n\n PROD( OLIP ) = RXRAT( 84 ) ! OLI+HO=OLIP\n LOSS( OLIP ) = RXRAT( 189 ) ! OLIP+NO=0.8300D+00*HO2+...\n & + RXRAT( 231 ) ! OLIP+HO2=OP2\n & + RXRAT( 269 ) ! OLIP+MO2=HO2+0.7500D+...\n & + RXRAT( 306 ) ! OLIP+ACO3=0.5000D+00*HO2+...\n & + RXRAT( 345 ) ! OLIP+NO3=0.8600D+00*HO2+...\n\n PROD( ACE ) = 0.0D0\n LOSS( ACE ) = RXRAT( 85 ) ! ACE+HO=0.6500D+00*HO+...\n\n PROD( ORA1 ) = 3.5000D-01 * RXRAT( 85 ) ! ACE+HO=0.3500D+00*ORA1+...\n & + 2.8000D-01 * RXRAT( 90 ) ! ISO+O3=0.2800D+00*ORA1+...\n & + 3.7000D-01 * RXRAT( 144 ) ! ETE+O3=0.3700D+00*ORA1+...\n & + 3.0000D-02 * RXRAT( 145 ) ! OLT+O3=0.3000D-01*ORA1+...\n & + 2.8000D-02 * RXRAT( 147 ) ! API+O3=0.2800D-01*ORA1+...\n & + 1.5000D-01 * RXRAT( 149 ) ! LIMAL+O3=0.1500D+00*ORA1+...\n & + 4.5000D-01 * RXRAT( 151 ) ! MACR+O3=0.4500D+00*ORA1+...\n & + 7.0000D-02 * RXRAT( 152 ) ! MVK+O3=0.7000D-01*ORA1+...\n & + 4.4000D-02 * RXRAT( 153 ) ! UALD+O3=0.4400D-01*ORA1+...\n & + 2.5000D-01 * RXRAT( 156 ) ! DCB3+O3=0.2500D+00*ORA1+...\n LOSS( ORA1 ) = RXRAT( 135 ) ! ORA1+HO=HO2\n\n PROD( BEN ) = 3.2000D-02 * RXRAT( 145 ) ! OLT+O3=0.3200D-01*BEN+...\n LOSS( BEN ) = RXRAT( 86 ) ! BEN+HO=0.4700D+00*BENP+...\n\n PROD( BENP ) = 4.7000D-01 * RXRAT( 86 ) ! BEN+HO=0.4700D+00*BENP+...\n LOSS( BENP ) = RXRAT( 190 ) ! BENP+NO=0.0000D+00*ONIT+...\n & + RXRAT( 232 ) ! BENP+HO2=0.6021D+00*OP2+...\n & + RXRAT( 270 ) ! BENP+MO2=0.6800D+00*HCHO+...\n & + RXRAT( 307 ) ! BENP+ACO3=0.7000D+00*MO2+...\n & + RXRAT( 346 ) ! BENP+NO3=NO2+HO2+0.0000D+...\n\n PROD( PHEN ) = 5.3000D-01 * RXRAT( 86 ) ! BEN+HO=0.5300D+00*PHEN+...\n LOSS( PHEN ) = RXRAT( 123 ) ! PHEN+HO=0.1520D+00*ASOATJ+...\n & + RXRAT( 171 ) ! PHEN+NO3=0.1520D+00*ASOATJ+...\n\n PROD( TOL ) = 0.0D0\n LOSS( TOL ) = RXRAT( 87 ) ! TOL+HO=0.8200D+00*TOLP+...\n\n PROD( TOLP ) = 8.2000D-01 * RXRAT( 87 ) ! TOL+HO=0.8200D+00*TOLP+...\n LOSS( TOLP ) = RXRAT( 191 ) ! TOLP+NO=0.2000D-03*ONIT+...\n & + RXRAT( 233 ) ! TOLP+HO2=0.7195D+00*OP2+...\n & + RXRAT( 271 ) ! TOLP+MO2=0.6800D+00*HCHO+...\n & + RXRAT( 308 ) ! TOLP+ACO3=0.7000D+00*MO2+...\n & + RXRAT( 347 ) ! TOLP+NO3=NO2+0.9146D+...\n\n PROD( CSL ) = 1.8000D-01 * RXRAT( 87 ) ! TOL+HO=0.1800D+00*CSL+...\n & + 1.7000D-01 * RXRAT( 88 ) ! XYL+HO=0.1700D+00*CSL+...\n & + 1.8000D-01 * RXRAT( 89 ) ! EBZ+HO=0.1800D+00*CSL+...\n & + RXRAT( 256 ) ! CHO+HO2=CSL\n LOSS( CSL ) = RXRAT( 124 ) ! CSL+HO=0.2000D+00*ASOATJ+...\n & + RXRAT( 172 ) ! CSL+NO3=0.2000D+00*ASOATJ+...\n\n PROD( XYL ) = 0.0D0\n LOSS( XYL ) = RXRAT( 88 ) ! XYL+HO=0.8300D+00*XYLP+...\n\n PROD( XYLP ) = 8.3000D-01 * RXRAT( 88 ) ! XYL+HO=0.8300D+00*XYLP+...\n LOSS( XYLP ) = RXRAT( 192 ) ! XYLP+NO=0.1000D-03*ONIT+...\n & + RXRAT( 234 ) ! XYLP+HO2=0.4820D-01*OP2+...\n & + RXRAT( 272 ) ! XYLP+MO2=0.6800D+00*HCHO+...\n & + RXRAT( 309 ) ! XYLP+ACO3=0.7000D+00*MO2+...\n & + RXRAT( 348 ) ! XYLP+NO3=NO2+0.9518D+...\n\n PROD( EBZ ) = 0.0D0\n LOSS( EBZ ) = RXRAT( 89 ) ! EBZ+HO=0.8200D+00*EBZP+...\n\n PROD( EBZP ) = 8.2000D-01 * RXRAT( 89 ) ! EBZ+HO=0.8200D+00*EBZP+...\n LOSS( EBZP ) = RXRAT( 193 ) ! EBZP+NO=0.2000D-03*ONIT+...\n & + RXRAT( 235 ) ! EBZP+HO2=0.8540D-01*OP2+...\n & + RXRAT( 273 ) ! EBZP+MO2=0.6800D+00*HCHO+...\n & + RXRAT( 310 ) ! EBZP+ACO3=0.7000D+00*MO2+...\n & + RXRAT( 349 ) ! EBZP+NO3=NO2+0.9146D+...\n\n PROD( ISO ) = 0.0D0\n LOSS( ISO ) = RXRAT( 90 ) ! ISO+O3=0.2500D+00*HO+...\n & + RXRAT( 91 ) ! ISO+NO3=0.4000D+00*NO2+...\n & + RXRAT( 92 ) ! ISO+HO=ISOP+0.2500D+...\n\n PROD( ISON ) = 4.5000D-02 * RXRAT( 91 ) ! ISO+NO3=0.4500D-01*ISON+...\n & + 1.3000D-01 * RXRAT( 94 ) ! ISOP+NO=0.1300D+00*ISON+...\n & + 5.0000D-02 * RXRAT( 98 ) ! INO2+NO=0.5000D-01*ISON+...\n LOSS( ISON ) = RXRAT( 99 ) ! ISON+HO=HO+0.3500D+...\n & + RXRAT( 101 ) ! ISON=HNO3+ROH\n\n PROD( INO2 ) = 5.5500D-01 * RXRAT( 91 ) ! ISO+NO3=0.5550D+00*INO2+...\n LOSS( INO2 ) = RXRAT( 97 ) ! INO2+HO2=0.4500D+00*HO+...\n & + RXRAT( 98 ) ! INO2+NO=0.1500D+00*MVK+...\n\n PROD( ISOP ) = RXRAT( 92 ) ! ISO+HO=ISOP+0.2500D+...\n & + RXRAT( 95 ) ! ISHP+HO=ISOP\n LOSS( ISOP ) = RXRAT( 93 ) ! ISOP+HO2=ISHP+0.7000D-...\n & + RXRAT( 94 ) ! ISOP+NO=0.1300D+00*ISON+...\n & + RXRAT( 274 ) ! ISOP+MO2=HO2+0.1310D+...\n & + RXRAT( 311 ) ! ISOP+ACO3=0.5000D+00*HO2+...\n & + RXRAT( 350 ) ! ISOP+NO3=HO2+NO2+0.7500D+...\n & + RXRAT( 380 ) ! ISOP+APIP2=0.9600D+00*HOM+...\n & + RXRAT( 383 ) ! ISOP+LIMP2=0.9600D+00*HOM+...\n & + RXRAT( 386 ) ! ISOP+APINP2=0.9600D+00*HOM+...\n & + RXRAT( 389 ) ! ISOP+LIMNP2=0.9600D+00*HOM+...\n\n PROD( ISHP ) = RXRAT( 93 ) ! ISOP+HO2=ISHP+0.7000D-...\n LOSS( ISHP ) = RXRAT( 95 ) ! ISHP+HO=ISOP\n & + RXRAT( 96 ) ! ISHP+HO=0.4000D-01*MGLY+...\n\n PROD( IEPOX ) = 4.4000D-01 * RXRAT( 96 ) ! ISHP+HO=0.4400D+00*IEPOX+...\n & + 1.7000D-01 * RXRAT( 99 ) ! ISON+HO=0.1700D+00*IEPOX+...\n LOSS( IEPOX ) = RXRAT( 390 ) ! IEPOX+HO=HO\n & + RXRAT( 428 ) ! IEPOX=IEPOXP\n\n PROD( IPX ) = 1.4000D-01 * RXRAT( 96 ) ! ISHP+HO=0.1400D+00*IPX+...\n & + 2.0000D-02 * RXRAT( 97 ) ! INO2+HO2=0.2000D-01*IPX+...\n LOSS( IPX ) = RXRAT( 102 ) ! IPX+HO=0.5700D+00*MACR+...\n & + RXRAT( 431 ) ! IPX=AISO4J\n\n PROD( INALD ) = 9.5000D-01 * RXRAT( 97 ) ! INO2+HO2=0.9500D+00*INALD+...\n & + 6.5000D-01 * RXRAT( 98 ) ! INO2+NO=0.6500D+00*INALD+...\n & + 3.5000D-01 * RXRAT( 99 ) ! ISON+HO=0.3500D+00*INALD+...\n LOSS( INALD ) = RXRAT( 100 ) ! INALD+HO=CO+NO2+0.3000D+...\n & + RXRAT( 432 ) ! INALD=AISO5J+HNO3\n\n PROD( ROH ) = RXRAT( 101 ) ! ISON=ROH+HNO3\n & + 2.5000D-01 * RXRAT( 265 ) ! HC3P+MO2=0.2500D+00*ROH+...\n & + 2.5000D-01 * RXRAT( 266 ) ! HC5P+MO2=0.2500D+00*ROH+...\n & + 2.5000D-01 * RXRAT( 268 ) ! OLTP+MO2=0.2500D+00*ROH+...\n & + 2.5000D-01 * RXRAT( 269 ) ! OLIP+MO2=0.2500D+00*ROH+...\n & + 2.5000D-01 * RXRAT( 274 ) ! ISOP+MO2=0.2500D+00*ROH+...\n & + 2.5000D-01 * RXRAT( 285 ) ! ACTP+MO2=0.2500D+00*ROH+...\n & + 2.5000D-01 * RXRAT( 286 ) ! MEKP+MO2=0.2500D+00*ROH+...\n & + 2.5000D-01 * RXRAT( 287 ) ! KETP+MO2=0.2500D+00*ROH+...\n & + 2.5000D-01 * RXRAT( 288 ) ! MACP+MO2=0.2500D+00*ROH+...\n & + 2.5000D-01 * RXRAT( 289 ) ! MCP+MO2=0.2500D+00*ROH+HO2+...\n & + 2.5000D-01 * RXRAT( 290 ) ! MVKP+MO2=0.2500D+00*ROH+...\n & + 2.5000D-01 * RXRAT( 291 ) ! UALP+MO2=0.2500D+00*ROH+...\n & + 2.5000D-01 * RXRAT( 298 ) ! OLND+MO2=0.2500D+00*ROH+...\n & + 4.8000D-01 * RXRAT( 378 ) ! APIP2+APIP1=0.4800D+00*ROH+...\n & + 4.8000D-01 * RXRAT( 379 ) ! APIP2+LIMP1=0.4800D+00*ROH+...\n & + 4.8000D-01 * RXRAT( 380 ) ! APIP2+ISOP=0.4800D+00*ROH+...\n & + 4.8000D-01 * RXRAT( 381 ) ! LIMP2+APIP1=0.4800D+00*ROH+...\n & + 4.8000D-01 * RXRAT( 382 ) ! LIMP2+LIMP1=0.4800D+00*ROH+...\n & + 4.8000D-01 * RXRAT( 383 ) ! LIMP2+ISOP=0.4800D+00*ROH+...\n & + 4.8000D-01 * RXRAT( 384 ) ! APINP2+APIP1=0.4800D+...\n & + 4.8000D-01 * RXRAT( 385 ) ! APINP2+LIMP1=0.4800D+...\n & + 4.8000D-01 * RXRAT( 386 ) ! APINP2+ISOP=0.4800D+00*ROH+...\n & + 4.8000D-01 * RXRAT( 387 ) ! LIMNP2+APIP1=0.4800D+...\n & + 4.8000D-01 * RXRAT( 388 ) ! LIMNP2+LIMP1=0.4800D+...\n & + 4.8000D-01 * RXRAT( 389 ) ! LIMNP2+ISOP=0.4800D+00*ROH+...\n LOSS( ROH ) = RXRAT( 128 ) ! ROH+HO=HO2+0.7190D+00*ALD+...\n\n PROD( API ) = 0.0D0\n LOSS( API ) = RXRAT( 103 ) ! API+HO=0.9750D+00*APIP1+...\n & + RXRAT( 147 ) ! API+O3=0.6055D+00*HO+...\n & + RXRAT( 161 ) ! API+NO3=0.9750D+00*APINP1+...\n\n PROD( APIP1 ) = 9.7500D-01 * RXRAT( 103 ) ! API+HO=0.9750D+00*APIP1+...\n LOSS( APIP1 ) = RXRAT( 194 ) ! APIP1+NO=0.2370D+00*TRPN+...\n & + RXRAT( 236 ) ! APIP1+HO2=0.3900D-01*ACT+...\n & + RXRAT( 275 ) ! APIP1+MO2=0.1030D+01*HCHO+...\n & + RXRAT( 312 ) ! APIP1+ACO3=0.2535D+...\n & + RXRAT( 351 ) ! APIP1+NO3=NO2+HO2+0.2535D+...\n & + RXRAT( 378 ) ! APIP1+APIP2=0.9600D+00*HOM+...\n & + RXRAT( 381 ) ! APIP1+LIMP2=0.9600D+00*HOM+...\n & + RXRAT( 384 ) ! APIP1+APINP2=0.9600D+...\n & + RXRAT( 387 ) ! APIP1+LIMNP2=0.9600D+...\n\n PROD( APIP2 ) = 2.5000D-02 * RXRAT( 103 ) ! API+HO=0.2500D-01*APIP2+...\n LOSS( APIP2 ) = RXRAT( 195 ) ! APIP2+NO=0.8200D+00*HO+...\n & + RXRAT( 237 ) ! APIP2+HO2=HOM\n & + RXRAT( 276 ) ! APIP2+MO2=HO2+0.7500D+...\n & + RXRAT( 313 ) ! APIP2+ACO3=0.5000D+00*HO+...\n & + RXRAT( 378 ) ! APIP2+APIP1=0.9600D+00*HOM+...\n & + RXRAT( 379 ) ! APIP2+LIMP1=0.9600D+00*HOM+...\n & + RXRAT( 380 ) ! APIP2+ISOP=0.9600D+00*HOM+...\n\n PROD( LIM ) = 0.0D0\n LOSS( LIM ) = RXRAT( 104 ) ! LIM+HO=0.9450D+00*LIMP1+...\n & + RXRAT( 148 ) ! LIM+O3=0.6600D+00*HO+...\n & + RXRAT( 162 ) ! LIM+NO3=0.9450D+00*LIMNP1+...\n\n PROD( LIMP1 ) = 9.4500D-01 * RXRAT( 104 ) ! LIM+HO=0.9450D+00*LIMP1+...\n LOSS( LIMP1 ) = RXRAT( 198 ) ! LIMP1+NO=0.2300D+00*TRPN+...\n & + RXRAT( 240 ) ! LIMP1+HO2=0.9000D+00*OPB+...\n & + RXRAT( 279 ) ! LIMP1+MO2=0.2500D+00*MOH+...\n & + RXRAT( 316 ) ! LIMP1+ACO3=LIMAL+0.5600D+...\n & + RXRAT( 352 ) ! LIMP1+NO3=HO2+NO2+LIMAL+...\n & + RXRAT( 379 ) ! LIMP1+APIP2=0.9600D+00*HOM+...\n & + RXRAT( 382 ) ! LIMP1+LIMP2=0.9600D+00*HOM+...\n & + RXRAT( 385 ) ! LIMP1+APINP2=0.9600D+...\n & + RXRAT( 388 ) ! LIMP1+LIMNP2=0.9600D+...\n\n PROD( LIMP2 ) = 5.5000D-02 * RXRAT( 104 ) ! LIM+HO=0.5500D-01*LIMP2+...\n LOSS( LIMP2 ) = RXRAT( 199 ) ! LIMP2+NO=0.7700D+00*HO+...\n & + RXRAT( 241 ) ! LIMP2+HO2=HOM\n & + RXRAT( 280 ) ! LIMP2+MO2=HO2+0.7500D+...\n & + RXRAT( 317 ) ! LIMP2+ACO3=0.5000D+00*HO+...\n & + RXRAT( 381 ) ! LIMP2+APIP1=0.9600D+00*HOM+...\n & + RXRAT( 382 ) ! LIMP2+LIMP1=0.9600D+00*HOM+...\n & + RXRAT( 383 ) ! LIMP2+ISOP=0.9600D+00*HOM+...\n\n PROD( PINALP ) = 2.3000D-01 * RXRAT( 105 ) ! PINAL+HO=0.2300D+00*PINALP+...\n & + 2.1450D-01 * RXRAT( 147 ) ! API+O3=0.2145D+00*PINALP+...\n LOSS( PINALP ) = RXRAT( 175 ) ! PINALP=HOM\n & + RXRAT( 202 ) ! PINALP+NO=0.3600D+00*TRPN+...\n & + RXRAT( 244 ) ! PINALP+HO2=0.7500D+00*OPB+...\n\n PROD( RCO3 ) = 7.7000D-01 * RXRAT( 105 ) ! PINAL+HO=0.7700D+00*RCO3+...\n & + 1.7000D-01 * RXRAT( 106 ) ! LIMAL+HO=0.1700D+00*RCO3+...\n & + RXRAT( 109 ) ! ALD+HO=RCO3\n & + 2.8050D-01 * RXRAT( 147 ) ! API+O3=0.2805D+00*RCO3+...\n & + 3.3000D-01 * RXRAT( 148 ) ! LIM+O3=0.3300D+00*RCO3+...\n & + 6.0000D-01 * RXRAT( 154 ) ! DCB1+O3=0.6000D+00*RCO3+...\n & + 6.0000D-01 * RXRAT( 155 ) ! DCB2+O3=0.6000D+00*RCO3+...\n & + RXRAT( 166 ) ! ALD+NO3=RCO3+HNO3\n & + RXRAT( 180 ) ! PPN=RCO3+NO2\n LOSS( RCO3 ) = RXRAT( 179 ) ! RCO3+NO2=PPN\n & + RXRAT( 205 ) ! RCO3+NO=ETHP+NO2\n & + RXRAT( 247 ) ! RCO3+HO2=0.4400D+00*HO+...\n & + RXRAT( 284 ) ! RCO3+MO2=0.9000D+00*HO2+...\n & + RXRAT( 321 ) ! RCO3+ACO3=MO2+ETHP\n & + 2.0000D+00 * RXRAT( 338 ) ! RCO3+RCO3=0.2000D+01*ETHP\n & + RXRAT( 356 ) ! RCO3+NO3=ETHP+NO2\n & + RXRAT( 376 ) ! RCO3+XO2=ETHP\n\n PROD( LIMALP ) = 8.3000D-01 * RXRAT( 106 ) ! LIMAL+HO=0.8300D+00*LIMALP+...\n LOSS( LIMALP ) = RXRAT( 176 ) ! LIMALP=HOM\n & + RXRAT( 203 ) ! LIMALP+NO=0.6400D+00*TRPN+...\n & + RXRAT( 245 ) ! LIMALP+HO2=0.9000D+00*OPB+...\n\n PROD( ACTP ) = RXRAT( 110 ) ! ACT+HO=ACTP\n LOSS( ACTP ) = RXRAT( 206 ) ! ACTP+NO=ACO3+NO2+HCHO\n & + RXRAT( 248 ) ! ACTP+HO2=0.1500D+00*HO+...\n & + RXRAT( 285 ) ! ACTP+MO2=0.5000D+00*HO2+...\n & + RXRAT( 322 ) ! ACTP+ACO3=0.5000D+00*MO2+...\n & + RXRAT( 357 ) ! ACTP+NO3=ACO3+NO2+HCHO\n\n PROD( MEKP ) = RXRAT( 111 ) ! MEK+HO=MEKP\n & + 2.5810D-01 * RXRAT( 507 ) ! VROCN2OXY8+HO=0.2581D+...\n & + 7.9400D-02 * RXRAT( 508 ) ! VROCN2OXY4+HO=0.7940D-...\n & + 3.9000D-02 * RXRAT( 509 ) ! VROCN2OXY2+HO=0.3900D-...\n & + 1.8400D-01 * RXRAT( 510 ) ! VROCN1OXY6+HO=0.1840D+...\n & + 6.4600D-02 * RXRAT( 511 ) ! VROCN1OXY3+HO=0.6460D-...\n & + 2.4400D-02 * RXRAT( 512 ) ! VROCN1OXY1+HO=0.2440D-...\n & + 1.0680D-01 * RXRAT( 513 ) ! VROCP0OXY4+HO=0.1068D+...\n & + 4.4500D-02 * RXRAT( 514 ) ! VROCP0OXY2+HO=0.4450D-...\n & + 8.1800D-02 * RXRAT( 515 ) ! VROCP1OXY3+HO=0.8180D-...\n & + 2.9700D-02 * RXRAT( 516 ) ! VROCP1OXY1+HO=0.2970D-...\n & + 6.2800D-02 * RXRAT( 517 ) ! VROCP2OXY2+HO=0.6280D-...\n & + 6.9800D-02 * RXRAT( 518 ) ! VROCP3OXY2+HO=0.6980D-...\n & + 7.8600D-02 * RXRAT( 519 ) ! VROCP4OXY2+HO=0.7860D-...\n & + 5.2600D-02 * RXRAT( 520 ) ! VROCP5OXY1+HO=0.5260D-...\n & + 5.7100D-02 * RXRAT( 521 ) ! VROCP6OXY1+HO=0.5710D-...\n & + 2.2660D-01 * RXRAT( 522 ) ! OP3+HO=0.2266D+00*MEKP+...\n LOSS( MEKP ) = RXRAT( 207 ) ! MEKP+NO=0.6700D+00*HO2+NO2+...\n & + RXRAT( 249 ) ! MEKP+HO2=OP2\n & + RXRAT( 286 ) ! MEKP+MO2=0.8340D+00*HO2+...\n & + RXRAT( 323 ) ! MEKP+ACO3=0.3300D+00*HO2+...\n & + RXRAT( 358 ) ! MEKP+NO3=0.6700D+00*HO2+...\n\n PROD( KETP ) = RXRAT( 112 ) ! KET+HO=KETP\n & + 7.9400D-02 * RXRAT( 508 ) ! VROCN2OXY4+HO=0.7940D-...\n & + 1.0680D-01 * RXRAT( 513 ) ! VROCP0OXY4+HO=0.1068D+...\n LOSS( KETP ) = RXRAT( 208 ) ! KETP+NO=0.7700D+00*HO2+...\n & + RXRAT( 250 ) ! KETP+HO2=OP2\n & + RXRAT( 287 ) ! KETP+MO2=HO2+0.7500D+...\n & + RXRAT( 324 ) ! KETP+ACO3=0.5000D+00*HO2+...\n & + RXRAT( 359 ) ! KETP+NO3=HO2+NO2+DCB1\n\n PROD( MCP ) = 4.3000D-01 * RXRAT( 114 ) ! MACR+HO=0.4300D+00*MCP+...\n & + 4.3000D-01 * RXRAT( 393 ) ! ACRO+HO=0.4300D+00*MCP+...\n LOSS( MCP ) = RXRAT( 210 ) ! MCP+NO=NO2+0.5000D+00*HO2+...\n & + RXRAT( 252 ) ! MCP+HO2=MAHP\n & + RXRAT( 289 ) ! MCP+MO2=NO2+HO2+0.1500D+...\n & + RXRAT( 326 ) ! MCP+ACO3=NO2+0.5000D+...\n & + RXRAT( 361 ) ! MCP+NO3=NO2+HO2+HCHO+HKET\n\n PROD( MVKP ) = RXRAT( 115 ) ! MVK+HO=MVKP\n LOSS( MVKP ) = RXRAT( 211 ) ! MVKP+NO=0.3000D+00*HO2+...\n & + RXRAT( 253 ) ! MVKP+HO2=OP2\n & + RXRAT( 290 ) ! MVKP+MO2=HO2+0.1160D+...\n & + RXRAT( 327 ) ! MVKP+ACO3=0.5000D+00*HO2+...\n & + RXRAT( 362 ) ! MVKP+NO3=0.3000D+00*HO2+...\n\n PROD( UALP ) = 6.8700D-01 * RXRAT( 116 ) ! UALD+HO=0.6870D+00*UALP+...\n LOSS( UALP ) = RXRAT( 212 ) ! UALP+NO=HO2+NO2+0.6100D+...\n & + RXRAT( 254 ) ! UALP+HO2=OP2\n & + RXRAT( 291 ) ! UALP+MO2=HO2+0.3050D+00*CO+...\n & + RXRAT( 328 ) ! UALP+ACO3=0.5000D+00*HO2+...\n & + RXRAT( 363 ) ! UALP+NO3=HO2+NO2+0.6100D+...\n\n PROD( DCB3 ) = 2.4950D-01 * RXRAT( 190 ) ! BENP+NO=0.2495D+00*DCB3+...\n & + 2.5000D-01 * RXRAT( 270 ) ! BENP+MO2=0.2500D+00*DCB3+...\n & + 2.5000D-01 * RXRAT( 307 ) ! BENP+ACO3=0.2500D+00*DCB3+...\n & + 2.5000D-01 * RXRAT( 346 ) ! BENP+NO3=0.2500D+00*DCB3+...\n & + 2.0000D-01 * RXRAT( 410 ) ! FURAN+NO3=0.2000D+00*DCB3+...\n LOSS( DCB3 ) = RXRAT( 121 ) ! DCB3+HO=0.5600D+00*HO2+...\n & + RXRAT( 156 ) ! DCB3+O3=0.5000D-01*HO+HO2+...\n\n PROD( BALP ) = RXRAT( 122 ) ! BALD+HO=BALP\n LOSS( BALP ) = RXRAT( 213 ) ! BALP+NO=BAL1+NO2\n & + RXRAT( 292 ) ! BALP+MO2=HO2+BAL1+HCHO\n & + RXRAT( 329 ) ! BALP+ACO3=MO2+BAL1\n & + RXRAT( 364 ) ! BALP+NO3=BAL1+NO2\n\n PROD( ADDC ) = 1.7000D-01 * RXRAT( 123 ) ! PHEN+HO=0.1700D+00*ADDC+...\n & + 1.6000D-01 * RXRAT( 124 ) ! CSL+HO=0.1600D+00*ADDC+...\n & + 8.5000D-01 * RXRAT( 171 ) ! PHEN+NO3=0.8500D+00*ADDC+...\n & + 8.0000D-02 * RXRAT( 172 ) ! CSL+NO3=0.8000D-01*ADDC+...\n LOSS( ADDC ) = RXRAT( 215 ) ! ADDC+NO=HO2+NO2+0.3200D+...\n & + RXRAT( 255 ) ! ADDC+HO2=OP2\n & + RXRAT( 294 ) ! ADDC+MO2=0.2000D+01*HO2+...\n & + RXRAT( 331 ) ! ADDC+ACO3=0.2000D+01*HO2+...\n & + RXRAT( 366 ) ! ADDC+NO3=HO2+NO2+0.3200D+...\n\n PROD( MCT ) = 6.1900D-01 * RXRAT( 123 ) ! PHEN+HO=0.6190D+00*MCT+...\n & + 5.8400D-01 * RXRAT( 124 ) ! CSL+HO=0.5840D+00*MCT+...\n LOSS( MCT ) = RXRAT( 125 ) ! MCT+HO=MCTO\n & + RXRAT( 173 ) ! MCT+NO3=MCTO+HNO3\n\n PROD( MCTO ) = RXRAT( 125 ) ! MCT+HO=MCTO\n & + RXRAT( 173 ) ! MCT+NO3=MCTO+HNO3\n & + RXRAT( 216 ) ! MCTP+NO=MCTO+NO2\n & + RXRAT( 295 ) ! MCTP+MO2=MCTO+HO2+HCHO\n & + RXRAT( 332 ) ! MCTP+ACO3=MCTO+MO2+HO2\n & + RXRAT( 367 ) ! MCTP+NO3=MCTO+NO2\n LOSS( MCTO ) = RXRAT( 157 ) ! MCTO+O3=MCTP\n & + RXRAT( 224 ) ! MCTO+NO2=ONIT\n\n PROD( MOH ) = 6.3000D-01 * RXRAT( 263 ) ! MO2+MO2=0.6300D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 264 ) ! ETHP+MO2=0.2500D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 265 ) ! HC3P+MO2=0.2500D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 266 ) ! HC5P+MO2=0.2500D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 267 ) ! ETEP+MO2=0.2500D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 268 ) ! OLTP+MO2=0.2500D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 269 ) ! OLIP+MO2=0.2500D+00*MOH+...\n & + 3.2000D-01 * RXRAT( 270 ) ! BENP+MO2=0.3200D+00*MOH+...\n & + 3.2000D-01 * RXRAT( 271 ) ! TOLP+MO2=0.3200D+00*MOH+...\n & + 3.2000D-01 * RXRAT( 272 ) ! XYLP+MO2=0.3200D+00*MOH+...\n & + 3.2000D-01 * RXRAT( 273 ) ! EBZP+MO2=0.3200D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 274 ) ! ISOP+MO2=0.2500D+00*MOH+...\n & + 1.1050D-01 * RXRAT( 275 ) ! APIP1+MO2=0.1105D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 276 ) ! APIP2+MO2=0.2500D+00*MOH+...\n & + 4.3000D-02 * RXRAT( 277 ) ! APINP1+MO2=0.4300D-01*MOH+...\n & + 2.5000D-01 * RXRAT( 278 ) ! APINP2+MO2=0.2500D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 279 ) ! LIMP1+MO2=0.2500D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 280 ) ! LIMP2+MO2=0.2500D+00*MOH+...\n & + 9.0000D-02 * RXRAT( 281 ) ! LIMNP1+MO2=0.9000D-01*MOH+...\n & + 2.5000D-01 * RXRAT( 282 ) ! LIMNP2+MO2=0.2500D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 285 ) ! ACTP+MO2=0.2500D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 286 ) ! MEKP+MO2=0.2500D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 287 ) ! KETP+MO2=0.2500D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 288 ) ! MACP+MO2=0.2500D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 289 ) ! MCP+MO2=0.2500D+00*MOH+HO2+...\n & + 2.5000D-01 * RXRAT( 290 ) ! MVKP+MO2=0.2500D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 291 ) ! UALP+MO2=0.2500D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 298 ) ! OLND+MO2=0.2500D+00*MOH+...\n & + 3.2000D-01 * RXRAT( 401 ) ! BDE13P+MO2=0.3200D+00*MOH+...\n & + 3.2000D-01 * RXRAT( 493 ) ! VROCP6AROP+MO2=0.3200D+...\n & + 3.2000D-01 * RXRAT( 499 ) ! VROCP5AROP+MO2=0.3200D+...\n & + 3.2000D-01 * RXRAT( 505 ) ! NAPHP+MO2=0.3200D+00*MOH+...\n & + 3.2000D-01 * RXRAT( 530 ) ! STYP+MO2=0.3200D+00*MOH+...\n LOSS( MOH ) = RXRAT( 126 ) ! MOH+HO=HO2+HCHO\n\n PROD( EOH ) = 2.5000D-01 * RXRAT( 264 ) ! ETHP+MO2=0.2500D+00*EOH+...\n LOSS( EOH ) = RXRAT( 127 ) ! EOH+HO=HO2+ACD\n\n PROD( ETEG ) = 2.5000D-01 * RXRAT( 267 ) ! ETEP+MO2=0.2500D+00*ETEG+...\n LOSS( ETEG ) = RXRAT( 129 ) ! ETEG+HO=HO2+ALD\n\n PROD( MAHP ) = RXRAT( 251 ) ! MACP+HO2=MAHP\n & + RXRAT( 252 ) ! MCP+HO2=MAHP\n LOSS( MAHP ) = RXRAT( 134 ) ! MAHP+HO=MACP\n\n PROD( ORA2 ) = 6.0000D-02 * RXRAT( 145 ) ! OLT+O3=0.6000D-01*ORA2+...\n & + 1.7000D-02 * RXRAT( 146 ) ! OLI+O3=0.1700D-01*ORA2+...\n & + 6.5000D-03 * RXRAT( 147 ) ! API+O3=0.6500D-02*ORA2+...\n & + 1.0000D-02 * RXRAT( 148 ) ! LIM+O3=0.1000D-01*ORA2+...\n & + 7.0000D-02 * RXRAT( 152 ) ! MVK+O3=0.7000D-01*ORA2+...\n & + 2.5000D-01 * RXRAT( 156 ) ! DCB3+O3=0.2500D+00*ORA2+...\n & + 1.5000D-01 * RXRAT( 246 ) ! ACO3+HO2=0.1500D+00*ORA2+...\n & + 1.5000D-01 * RXRAT( 247 ) ! RCO3+HO2=0.1500D+00*ORA2+...\n & + 1.0000D-01 * RXRAT( 283 ) ! ACO3+MO2=0.1000D+00*ORA2+...\n & + 1.0000D-01 * RXRAT( 284 ) ! RCO3+MO2=0.1000D+00*ORA2+...\n & + 1.2500D-01 * RXRAT( 285 ) ! ACTP+MO2=0.1250D+00*ORA2+...\n & + 6.7000D-02 * RXRAT( 288 ) ! MACP+MO2=0.6700D-01*ORA2+...\n & + 2.9200D-01 * RXRAT( 290 ) ! MVKP+MO2=0.2920D+00*ORA2+...\n & + 5.0000D-01 * RXRAT( 301 ) ! ETHP+ACO3=0.5000D+00*ORA2+...\n & + 5.0000D-01 * RXRAT( 302 ) ! HC3P+ACO3=0.5000D+00*ORA2+...\n & + 5.0000D-01 * RXRAT( 303 ) ! HC5P+ACO3=0.5000D+00*ORA2+...\n & + 5.0000D-01 * RXRAT( 304 ) ! ETEP+ACO3=0.5000D+00*ORA2+...\n & + 5.0000D-01 * RXRAT( 305 ) ! OLTP+ACO3=0.5000D+00*ORA2+...\n & + 5.0000D-01 * RXRAT( 306 ) ! OLIP+ACO3=0.5000D+00*ORA2+...\n & + 3.0000D-01 * RXRAT( 307 ) ! BENP+ACO3=0.3000D+00*ORA2+...\n & + 3.0000D-01 * RXRAT( 308 ) ! TOLP+ACO3=0.3000D+00*ORA2+...\n & + 3.0000D-01 * RXRAT( 309 ) ! XYLP+ACO3=0.3000D+00*ORA2+...\n & + 3.0000D-01 * RXRAT( 310 ) ! EBZP+ACO3=0.3000D+00*ORA2+...\n & + 5.0000D-01 * RXRAT( 311 ) ! ISOP+ACO3=0.5000D+00*ORA2+...\n & + 5.0000D-01 * RXRAT( 313 ) ! APIP2+ACO3=0.5000D+00*ORA2+...\n & + 5.0000D-01 * RXRAT( 315 ) ! APINP2+ACO3=0.5000D+...\n & + 5.0000D-01 * RXRAT( 317 ) ! LIMP2+ACO3=0.5000D+00*ORA2+...\n & + 5.0000D-01 * RXRAT( 319 ) ! LIMNP2+ACO3=0.5000D+...\n & + 7.5000D-01 * RXRAT( 322 ) ! ACTP+ACO3=0.7500D+00*ORA2+...\n & + 5.0000D-01 * RXRAT( 323 ) ! MEKP+ACO3=0.5000D+00*ORA2+...\n & + 5.0000D-01 * RXRAT( 324 ) ! KETP+ACO3=0.5000D+00*ORA2+...\n & + 6.3500D-01 * RXRAT( 325 ) ! MACP+ACO3=0.6350D+00*ORA2+...\n & + 5.0000D-01 * RXRAT( 326 ) ! MCP+ACO3=0.5000D+00*ORA2+...\n & + 1.0830D+00 * RXRAT( 327 ) ! MVKP+ACO3=0.1083D+01*ORA2+...\n & + 5.0000D-01 * RXRAT( 328 ) ! UALP+ACO3=0.5000D+00*ORA2+...\n & + 5.0000D-01 * RXRAT( 335 ) ! OLND+ACO3=0.5000D+00*ORA2+...\n & + 3.0000D-01 * RXRAT( 402 ) ! BDE13P+ACO3=0.3000D+...\n & + 3.0000D-01 * RXRAT( 494 ) ! VROCP6AROP+ACO3=0.3000D+...\n & + 3.0000D-01 * RXRAT( 500 ) ! VROCP5AROP+ACO3=0.3000D+...\n & + 3.0000D-01 * RXRAT( 506 ) ! NAPHP+ACO3=0.3000D+00*ORA2+...\n & + 3.0000D-01 * RXRAT( 531 ) ! STYP+ACO3=0.3000D+00*ORA2+...\n LOSS( ORA2 ) = RXRAT( 136 ) ! ORA2+HO=0.6400D+00*MO2+...\n\n PROD( ORAP ) = 3.6000D-01 * RXRAT( 136 ) ! ORA2+HO=0.3600D+00*ORAP+...\n LOSS( ORAP ) = RXRAT( 217 ) ! ORAP+NO=NO2+GLY+HO2\n & + RXRAT( 258 ) ! ORAP+HO2=OP2\n & + RXRAT( 296 ) ! ORAP+MO2=HCHO+HO2+GLY\n & + RXRAT( 333 ) ! ORAP+ACO3=MO2+GLY\n & + RXRAT( 368 ) ! ORAP+NO3=NO2+GLY+HO2\n\n PROD( PPN ) = RXRAT( 179 ) ! RCO3+NO2=PPN\n LOSS( PPN ) = RXRAT( 139 ) ! PPN+HO=XO2+NO3+HCHO\n & + RXRAT( 180 ) ! PPN=RCO3+NO2\n\n PROD( MPAN ) = RXRAT( 181 ) ! MACP+NO2=MPAN\n LOSS( MPAN ) = RXRAT( 140 ) ! MPAN+HO=NO2+HKET\n & + RXRAT( 174 ) ! MPAN+NO3=MACP+NO2\n & + RXRAT( 182 ) ! MPAN=MACP+NO2\n\n PROD( MCTP ) = RXRAT( 157 ) ! MCTO+O3=MCTP\n LOSS( MCTP ) = RXRAT( 216 ) ! MCTP+NO=MCTO+NO2\n & + RXRAT( 257 ) ! MCTP+HO2=OP2\n & + RXRAT( 295 ) ! MCTP+MO2=HO2+MCTO+HCHO\n & + RXRAT( 332 ) ! MCTP+ACO3=HO2+MO2+MCTO\n & + RXRAT( 367 ) ! MCTP+NO3=NO2+MCTO\n\n PROD( OLNN ) = 8.0000D-01 * RXRAT( 158 ) ! ETE+NO3=0.8000D+00*OLNN+...\n & + 4.3000D-01 * RXRAT( 159 ) ! OLT+NO3=0.4300D+00*OLNN+...\n & + 1.1000D-01 * RXRAT( 160 ) ! OLI+NO3=0.1100D+00*OLNN+...\n & + 9.0000D-01 * RXRAT( 404 ) ! BDE13+NO3=0.9000D+00*OLNN+...\n LOSS( OLNN ) = RXRAT( 218 ) ! OLNN+NO=NO2+HO2+ONIT\n & + RXRAT( 259 ) ! OLNN+HO2=ONIT\n & + RXRAT( 297 ) ! OLNN+MO2=0.2000D+01*HO2+...\n & + RXRAT( 334 ) ! OLNN+ACO3=HO2+MO2+ONIT\n & + RXRAT( 369 ) ! OLNN+NO3=HO2+NO2+ONIT\n & + 2.0000D+00 * RXRAT( 372 ) ! OLNN+OLNN=HO2+0.2000D+01*ONIT\n & + RXRAT( 373 ) ! OLNN+OLND=0.5000D+00*HO2+...\n\n PROD( OLND ) = 2.0000D-01 * RXRAT( 158 ) ! ETE+NO3=0.2000D+00*OLND+...\n & + 5.7000D-01 * RXRAT( 159 ) ! OLT+NO3=0.5700D+00*OLND+...\n & + 8.9000D-01 * RXRAT( 160 ) ! OLI+NO3=0.8900D+00*OLND+...\n & + 1.0000D-01 * RXRAT( 404 ) ! BDE13+NO3=0.1000D+00*OLND+...\n LOSS( OLND ) = RXRAT( 219 ) ! OLND+NO=0.2000D+01*NO2+...\n & + RXRAT( 260 ) ! OLND+HO2=ONIT\n & + RXRAT( 298 ) ! OLND+MO2=0.5000D+00*HO2+...\n & + RXRAT( 335 ) ! OLND+ACO3=0.5000D+00*MO2+...\n & + RXRAT( 370 ) ! OLND+NO3=0.2000D+01*NO2+...\n & + RXRAT( 373 ) ! OLND+OLNN=0.5000D+00*HO2+...\n & + 2.0000D+00 * RXRAT( 374 ) ! OLND+OLND=NO2+0.5040D+...\n\n PROD( APINP1 ) = 9.7500D-01 * RXRAT( 161 ) ! API+NO3=0.9750D+00*APINP1+...\n LOSS( APINP1 ) = RXRAT( 196 ) ! APINP1+NO=0.1696D+01*NO2+...\n & + RXRAT( 238 ) ! APINP1+HO2=0.4610D+00*TRPN+...\n & + RXRAT( 277 ) ! APINP1+MO2=0.3410D+00*TRPN+...\n & + RXRAT( 314 ) ! APINP1+ACO3=0.8250D+00*NO2+...\n & + RXRAT( 353 ) ! APINP1+NO3=0.1825D+01*NO2+...\n\n PROD( APINP2 ) = 2.5000D-02 * RXRAT( 161 ) ! API+NO3=0.2500D-01*APINP2+...\n LOSS( APINP2 ) = RXRAT( 197 ) ! APINP2+NO=0.8200D+00*NO2+...\n & + RXRAT( 239 ) ! APINP2+HO2=HOM\n & + RXRAT( 278 ) ! APINP2+MO2=0.7500D+00*HO2+...\n & + RXRAT( 315 ) ! APINP2+ACO3=0.5000D+00*NO2+...\n & + RXRAT( 384 ) ! APINP2+APIP1=0.9600D+...\n & + RXRAT( 385 ) ! APINP2+LIMP1=0.9600D+...\n & + RXRAT( 386 ) ! APINP2+ISOP=0.9600D+00*HOM+...\n\n PROD( LIMNP1 ) = 9.4500D-01 * RXRAT( 162 ) ! LIM+NO3=0.9450D+00*LIMNP1+...\n LOSS( LIMNP1 ) = RXRAT( 200 ) ! LIMNP1+NO=0.5700D+00*TRPN+...\n & + RXRAT( 242 ) ! LIMNP1+HO2=0.7700D+00*TRPN+...\n & + RXRAT( 281 ) ! LIMNP1+MO2=0.6900D+00*TRPN+...\n & + RXRAT( 318 ) ! LIMNP1+ACO3=MO2+0.4600D+...\n & + RXRAT( 354 ) ! LIMNP1+NO3=0.1460D+01*NO2+...\n\n PROD( LIMNP2 ) = 5.5000D-02 * RXRAT( 162 ) ! LIM+NO3=0.5500D-01*LIMNP2+...\n LOSS( LIMNP2 ) = RXRAT( 201 ) ! LIMNP2+NO=0.7700D+00*NO2+...\n & + RXRAT( 243 ) ! LIMNP2+HO2=HOM\n & + RXRAT( 282 ) ! LIMNP2+MO2=0.7500D+00*HO2+...\n & + RXRAT( 319 ) ! LIMNP2+ACO3=0.5000D+00*MO2+...\n & + RXRAT( 387 ) ! LIMNP2+APIP1=0.9600D+...\n & + RXRAT( 388 ) ! LIMNP2+LIMP1=0.9600D+...\n & + RXRAT( 389 ) ! LIMNP2+ISOP=0.9600D+00*HOM+...\n\n PROD( ADCN ) = 4.2400D-01 * RXRAT( 171 ) ! PHEN+NO3=0.4240D+00*ADCN+...\n & + 4.0000D-01 * RXRAT( 172 ) ! CSL+NO3=0.4000D+00*ADCN+...\n LOSS( ADCN ) = RXRAT( 220 ) ! ADCN+NO=0.2000D+01*NO2+GLY+OP2\n & + RXRAT( 261 ) ! ADCN+HO2=OP2\n & + RXRAT( 299 ) ! ADCN+MO2=HO2+0.7000D+...\n & + RXRAT( 336 ) ! ADCN+ACO3=HO2+MO2+0.7000D+...\n & + RXRAT( 371 ) ! ADCN+NO3=0.2000D+01*NO2+...\n\n PROD( HOM ) = RXRAT( 175 ) ! PINALP=HOM\n & + RXRAT( 176 ) ! LIMALP=HOM\n & + RXRAT( 195 ) ! APIP2+NO=HOM+0.8200D+...\n & + RXRAT( 197 ) ! APINP2+NO=HOM+0.8200D+...\n & + RXRAT( 199 ) ! LIMP2+NO=HOM+0.7700D+...\n & + RXRAT( 201 ) ! LIMNP2+NO=HOM+0.7700D+...\n & + 6.4000D-01 * RXRAT( 202 ) ! PINALP+NO=0.6400D+00*HOM+...\n & + RXRAT( 237 ) ! APIP2+HO2=HOM\n & + RXRAT( 239 ) ! APINP2+HO2=HOM\n & + RXRAT( 241 ) ! LIMP2+HO2=HOM\n & + RXRAT( 243 ) ! LIMNP2+HO2=HOM\n & + 2.5000D-01 * RXRAT( 244 ) ! PINALP+HO2=0.2500D+00*HOM+...\n & + RXRAT( 276 ) ! APIP2+MO2=HOM+0.7500D+...\n & + RXRAT( 278 ) ! APINP2+MO2=HOM+0.7500D+...\n & + RXRAT( 280 ) ! LIMP2+MO2=HOM+0.7500D+...\n & + RXRAT( 282 ) ! LIMNP2+MO2=HOM+0.7500D+...\n & + RXRAT( 313 ) ! APIP2+ACO3=HOM+0.5000D+...\n & + RXRAT( 315 ) ! APINP2+ACO3=HOM+0.5000D+...\n & + RXRAT( 317 ) ! LIMP2+ACO3=HOM+0.5000D+...\n & + RXRAT( 319 ) ! LIMNP2+ACO3=HOM+0.5000D+...\n & + 9.6000D-01 * RXRAT( 378 ) ! APIP2+APIP1=0.9600D+00*HOM+...\n & + 9.6000D-01 * RXRAT( 379 ) ! APIP2+LIMP1=0.9600D+00*HOM+...\n & + 9.6000D-01 * RXRAT( 380 ) ! APIP2+ISOP=0.9600D+00*HOM+...\n & + 9.6000D-01 * RXRAT( 381 ) ! LIMP2+APIP1=0.9600D+00*HOM+...\n & + 9.6000D-01 * RXRAT( 382 ) ! LIMP2+LIMP1=0.9600D+00*HOM+...\n & + 9.6000D-01 * RXRAT( 383 ) ! LIMP2+ISOP=0.9600D+00*HOM+...\n & + 9.6000D-01 * RXRAT( 384 ) ! APINP2+APIP1=0.9600D+...\n & + 9.6000D-01 * RXRAT( 385 ) ! APINP2+LIMP1=0.9600D+...\n & + 9.6000D-01 * RXRAT( 386 ) ! APINP2+ISOP=0.9600D+00*HOM+...\n & + 9.6000D-01 * RXRAT( 387 ) ! LIMNP2+APIP1=0.9600D+...\n & + 9.6000D-01 * RXRAT( 388 ) ! LIMNP2+LIMP1=0.9600D+...\n & + 9.6000D-01 * RXRAT( 389 ) ! LIMNP2+ISOP=0.9600D+00*HOM+...\n LOSS( HOM ) = 0.0D0\n\n PROD( VROCP4OXY2 ) = 1.2000D-03 * RXRAT( 190 ) ! BENP+NO=0.1200D-...\n & + 1.3000D-03 * RXRAT( 191 ) ! TOLP+NO=0.1300D-...\n & + 2.8000D-01 * RXRAT( 440 ) ! VROCP6ALKP+NO=0.2800D+...\n & + RXRAT( 467 ) ! HC10P2=VROCP4OXY2+HO2\n & + 1.6000D-01 * RXRAT( 489 ) ! VROCP6ARO+HO=0.1600D+...\n & + 5.9500D-02 * RXRAT( 490 ) ! VROCP6AROP+HO2=0.5950D-...\n & + 1.0000D-04 * RXRAT( 491 ) ! VROCP6AROP+NO=0.1000D-...\n & + 5.9400D-02 * RXRAT( 497 ) ! VROCP5AROP+NO=0.5940D-...\n & + 5.9500D-02 * RXRAT( 498 ) ! VROCP5AROP+NO3=0.5950D-...\n & + 5.9500D-02 * RXRAT( 499 ) ! VROCP5AROP+MO2=0.5950D-...\n & + 5.9500D-02 * RXRAT( 500 ) ! VROCP5AROP+ACO3=0.5950D-...\n & + 5.9500D-02 * RXRAT( 503 ) ! NAPHP+NO=0.5950D-...\n & + 5.9500D-02 * RXRAT( 504 ) ! NAPHP+NO3=0.5950D-...\n & + 5.9500D-02 * RXRAT( 505 ) ! NAPHP+MO2=0.5950D-...\n & + 5.9500D-02 * RXRAT( 506 ) ! NAPHP+ACO3=0.5950D-...\n & + 1.8300D-02 * RXRAT( 508 ) ! VROCN2OXY4+HO=0.1830D-...\n & + 4.5500D-02 * RXRAT( 509 ) ! VROCN2OXY2+HO=0.4550D-...\n & + 5.1200D-02 * RXRAT( 511 ) ! VROCN1OXY3+HO=0.5120D-...\n & + 5.0900D-02 * RXRAT( 512 ) ! VROCN1OXY1+HO=0.5090D-...\n & + 2.4600D-02 * RXRAT( 513 ) ! VROCP0OXY4+HO=0.2460D-...\n & + 5.1900D-02 * RXRAT( 514 ) ! VROCP0OXY2+HO=0.5190D-...\n & + 6.4900D-02 * RXRAT( 515 ) ! VROCP1OXY3+HO=0.6490D-...\n & + 6.6800D-02 * RXRAT( 516 ) ! VROCP1OXY1+HO=0.6680D-...\n & + 7.3300D-02 * RXRAT( 517 ) ! VROCP2OXY2+HO=0.7330D-...\n & + 4.2600D-02 * RXRAT( 518 ) ! VROCP3OXY2+HO=0.4260D-...\n & + 7.2400D-02 * RXRAT( 520 ) ! VROCP5OXY1+HO=0.7240D-...\n & + 1.4630D-01 * RXRAT( 521 ) ! VROCP6OXY1+HO=0.1463D+...\n LOSS( VROCP4OXY2 ) = 9.9760D-01 * RXRAT( 519 ) ! VROCP4OXY2+HO=0.2400D-...\n\n PROD( VROCN1OXY6 ) = 8.0000D-04 * RXRAT( 190 ) ! BENP+NO=0.8000D-...\n & + 6.0000D-04 * RXRAT( 191 ) ! TOLP+NO=0.6000D-...\n & + 3.9790D-01 * RXRAT( 232 ) ! BENP+HO2=0.3979D+...\n & + 2.8050D-01 * RXRAT( 233 ) ! TOLP+HO2=0.2805D+...\n & + 1.2100D-02 * RXRAT( 508 ) ! VROCN2OXY4+HO=0.1210D-...\n & + 1.5300D-02 * RXRAT( 509 ) ! VROCN2OXY2+HO=0.1530D-...\n & + 3.1900D-02 * RXRAT( 511 ) ! VROCN1OXY3+HO=0.3190D-...\n & + 1.2200D-02 * RXRAT( 512 ) ! VROCN1OXY1+HO=0.1220D-...\n & + 3.2000D-02 * RXRAT( 513 ) ! VROCP0OXY4+HO=0.3200D-...\n & + 3.2500D-02 * RXRAT( 514 ) ! VROCP0OXY2+HO=0.3250D-...\n & + 7.4000D-02 * RXRAT( 515 ) ! VROCP1OXY3+HO=0.7400D-...\n & + 8.0000D-03 * RXRAT( 516 ) ! VROCP1OXY1+HO=0.8000D-...\n & + 5.1300D-02 * RXRAT( 517 ) ! VROCP2OXY2+HO=0.5130D-...\n & + 5.2600D-02 * RXRAT( 518 ) ! VROCP3OXY2+HO=0.5260D-...\n & + 4.8000D-02 * RXRAT( 519 ) ! VROCP4OXY2+HO=0.4800D-...\n & + 9.0000D-03 * RXRAT( 520 ) ! VROCP5OXY1+HO=0.9000D-...\n & + 6.1000D-03 * RXRAT( 521 ) ! VROCP6OXY1+HO=0.6100D-...\n & + 3.9000D-02 * RXRAT( 522 ) ! OP3+HO=0.3900D-...\n LOSS( VROCN1OXY6 ) = RXRAT( 510 ) ! VROCN1OXY6+HO=HO+0.2036D+...\n\n PROD( FURANONE ) = 4.9900D-01 * RXRAT( 190 ) ! BENP+NO=0.4990D+...\n & + 3.6510D-01 * RXRAT( 191 ) ! TOLP+NO=0.3651D+...\n & + 3.5150D-01 * RXRAT( 192 ) ! XYLP+NO=0.3515D+...\n & + 4.5640D-01 * RXRAT( 193 ) ! EBZP+NO=0.4564D+...\n & + 5.0000D-01 * RXRAT( 270 ) ! BENP+MO2=0.5000D+...\n & + 3.6590D-01 * RXRAT( 271 ) ! TOLP+MO2=0.3659D+...\n & + 3.5220D-01 * RXRAT( 272 ) ! XYLP+MO2=0.3522D+...\n & + 4.5730D-01 * RXRAT( 273 ) ! EBZP+MO2=0.4573D+...\n & + 5.0000D-01 * RXRAT( 307 ) ! BENP+ACO3=0.5000D+...\n & + 3.6590D-01 * RXRAT( 308 ) ! TOLP+ACO3=0.3659D+...\n & + 3.5220D-01 * RXRAT( 309 ) ! XYLP+ACO3=0.3522D+...\n & + 4.5730D-01 * RXRAT( 310 ) ! EBZP+ACO3=0.4573D+...\n & + 5.0000D-01 * RXRAT( 346 ) ! BENP+NO3=0.5000D+...\n & + 3.6590D-01 * RXRAT( 347 ) ! TOLP+NO3=0.3659D+...\n & + 3.5220D-01 * RXRAT( 348 ) ! XYLP+NO3=0.3522D+...\n & + 4.5730D-01 * RXRAT( 349 ) ! EBZP+NO3=0.4573D+...\n & + 9.2000D-01 * RXRAT( 406 ) ! FURANO2+NO=0.9200D+...\n & + 4.0000D-01 * RXRAT( 407 ) ! FURANO2+HO2=0.4000D+...\n & + 4.6930D-01 * RXRAT( 491 ) ! VROCP6AROP+NO=0.4693D+...\n & + 4.7020D-01 * RXRAT( 492 ) ! VROCP6AROP+NO3=0.4702D+...\n & + 4.7020D-01 * RXRAT( 493 ) ! VROCP6AROP+MO2=0.4702D+...\n & + 4.7020D-01 * RXRAT( 494 ) ! VROCP6AROP+ACO3=0.4702D+...\n & + 4.6930D-01 * RXRAT( 497 ) ! VROCP5AROP+NO=0.4693D+...\n & + 4.7020D-01 * RXRAT( 498 ) ! VROCP5AROP+NO3=0.4702D+...\n & + 4.7020D-01 * RXRAT( 499 ) ! VROCP5AROP+MO2=0.4702D+...\n & + 4.7020D-01 * RXRAT( 500 ) ! VROCP5AROP+ACO3=0.4702D+...\n & + 4.6930D-01 * RXRAT( 503 ) ! NAPHP+NO=0.4693D+...\n & + 4.7020D-01 * RXRAT( 504 ) ! NAPHP+NO3=0.4702D+...\n & + 4.7020D-01 * RXRAT( 505 ) ! NAPHP+MO2=0.4702D+...\n & + 4.7020D-01 * RXRAT( 506 ) ! NAPHP+ACO3=0.4702D+...\n LOSS( FURANONE ) = RXRAT( 408 ) ! FURANONE+HO=0.6500D+00*KET+...\n\n PROD( VROCP3OXY2 ) = 1.3000D-03 * RXRAT( 192 ) ! XYLP+NO=0.1300D-...\n & + 1.3000D-03 * RXRAT( 193 ) ! EBZP+NO=0.1300D-...\n & + RXRAT( 414 ) ! SESQNRO2+NO=VROCP3OXY2+...\n & + RXRAT( 415 ) ! SESQNRO2+NO3=VROCP3OXY2+...\n & + 9.8200D-01 * RXRAT( 416 ) ! SESQ+O3=0.9820D+...\n & + RXRAT( 419 ) ! SESQRO2+NO3=VROCP3OXY2\n & + 7.5300D-01 * RXRAT( 420 ) ! SESQRO2+NO=0.7530D+...\n & + 2.8000D-01 * RXRAT( 441 ) ! VROCP5ALKP+NO=0.2800D+...\n & + RXRAT( 454 ) ! VROCP6ALKP+HO2=VROCP3OXY2\n & + RXRAT( 461 ) ! VROCP6ALKP2=VROCP3OXY2+HO2\n & + 8.6000D-01 * RXRAT( 468 ) ! VROCP6ALKP2+NO=0.8600D+...\n & + RXRAT( 475 ) ! VROCP6ALKP2+NO3=VROCP3OXY2+...\n & + 1.6000D-01 * RXRAT( 495 ) ! VROCP5ARO+HO=0.1600D+...\n & + 5.9500D-02 * RXRAT( 496 ) ! VROCP5AROP+HO2=0.5950D-...\n & + 1.0000D-04 * RXRAT( 497 ) ! VROCP5AROP+NO=0.1000D-...\n & + 1.6000D-01 * RXRAT( 501 ) ! NAPH+HO=0.1600D+...\n & + 5.9500D-02 * RXRAT( 502 ) ! NAPHP+HO2=0.5950D-...\n & + 3.9800D-02 * RXRAT( 508 ) ! VROCN2OXY4+HO=0.3980D-...\n & + 4.5200D-02 * RXRAT( 509 ) ! VROCN2OXY2+HO=0.4520D-...\n & + 4.6200D-02 * RXRAT( 511 ) ! VROCN1OXY3+HO=0.4620D-...\n & + 5.1800D-02 * RXRAT( 512 ) ! VROCN1OXY1+HO=0.5180D-...\n & + 5.3500D-02 * RXRAT( 513 ) ! VROCP0OXY4+HO=0.5350D-...\n & + 5.1600D-02 * RXRAT( 514 ) ! VROCP0OXY2+HO=0.5160D-...\n & + 5.8500D-02 * RXRAT( 515 ) ! VROCP1OXY3+HO=0.5850D-...\n & + 7.0900D-02 * RXRAT( 516 ) ! VROCP1OXY1+HO=0.7090D-...\n & + 2.9300D-02 * RXRAT( 517 ) ! VROCP2OXY2+HO=0.2930D-...\n & + 4.5600D-02 * RXRAT( 519 ) ! VROCP4OXY2+HO=0.4560D-...\n & + 1.5660D-01 * RXRAT( 520 ) ! VROCP5OXY1+HO=0.1566D+...\n & + 1.3840D-01 * RXRAT( 521 ) ! VROCP6OXY1+HO=0.1384D+...\n & + RXRAT( 527 ) ! STYP+HO2=VROCP3OXY2\n LOSS( VROCP3OXY2 ) = 9.9140D-01 * RXRAT( 518 ) ! VROCP3OXY2+HO=0.8600D-...\n\n PROD( VROCP0OXY4 ) = 6.0000D-04 * RXRAT( 192 ) ! XYLP+NO=0.6000D-...\n & + 6.0000D-04 * RXRAT( 193 ) ! EBZP+NO=0.6000D-...\n & + 2.7710D-01 * RXRAT( 234 ) ! XYLP+HO2=0.2771D+...\n & + 2.8050D-01 * RXRAT( 235 ) ! EBZP+HO2=0.2805D+...\n & + RXRAT( 413 ) ! SESQNRO2+HO2=VROCP0OXY4\n & + 6.2400D-02 * RXRAT( 508 ) ! VROCN2OXY4+HO=0.6240D-...\n & + 1.8900D-02 * RXRAT( 509 ) ! VROCN2OXY2+HO=0.1890D-...\n & + 1.9400D-02 * RXRAT( 511 ) ! VROCN1OXY3+HO=0.1940D-...\n & + 2.9100D-02 * RXRAT( 512 ) ! VROCN1OXY1+HO=0.2910D-...\n & + 3.0700D-02 * RXRAT( 514 ) ! VROCP0OXY2+HO=0.3070D-...\n & + 6.3100D-02 * RXRAT( 515 ) ! VROCP1OXY3+HO=0.6310D-...\n & + 2.9200D-02 * RXRAT( 516 ) ! VROCP1OXY1+HO=0.2920D-...\n & + 1.3370D-01 * RXRAT( 517 ) ! VROCP2OXY2+HO=0.1337D+...\n & + 1.5500D-01 * RXRAT( 518 ) ! VROCP3OXY2+HO=0.1550D+...\n & + 8.8100D-02 * RXRAT( 519 ) ! VROCP4OXY2+HO=0.8810D-...\n & + 7.0200D-02 * RXRAT( 520 ) ! VROCP5OXY1+HO=0.7020D-...\n & + 2.2400D-02 * RXRAT( 521 ) ! VROCP6OXY1+HO=0.2240D-...\n & + 1.1400D-02 * RXRAT( 522 ) ! OP3+HO=0.1140D-...\n LOSS( VROCP0OXY4 ) = 9.9890D-01 * RXRAT( 513 ) ! VROCP0OXY4+HO=0.1100D-...\n\n PROD( BAL1 ) = RXRAT( 213 ) ! BALP+NO=BAL1+NO2\n & + RXRAT( 292 ) ! BALP+MO2=BAL1+HO2+HCHO\n & + RXRAT( 329 ) ! BALP+ACO3=BAL1+MO2\n & + RXRAT( 364 ) ! BALP+NO3=BAL1+NO2\n LOSS( BAL1 ) = RXRAT( 214 ) ! BAL1+NO=BAL2+NO2\n & + RXRAT( 293 ) ! BAL1+MO2=HO2+BAL2+HCHO\n & + RXRAT( 330 ) ! BAL1+ACO3=MO2+BAL2\n & + RXRAT( 365 ) ! BAL1+NO3=BAL2+NO2\n\n PROD( BAL2 ) = RXRAT( 214 ) ! BAL1+NO=BAL2+NO2\n & + RXRAT( 293 ) ! BAL1+MO2=BAL2+HO2+HCHO\n & + RXRAT( 330 ) ! BAL1+ACO3=BAL2+MO2\n & + RXRAT( 365 ) ! BAL1+NO3=BAL2+NO2\n LOSS( BAL2 ) = RXRAT( 222 ) ! BAL2+NO2=ONIT\n\n PROD( ELHOM ) = 4.0000D-02 * RXRAT( 378 ) ! APIP2+APIP1=0.4000D-...\n & + 4.0000D-02 * RXRAT( 379 ) ! APIP2+LIMP1=0.4000D-...\n & + 4.0000D-02 * RXRAT( 380 ) ! APIP2+ISOP=0.4000D-...\n & + 4.0000D-02 * RXRAT( 381 ) ! LIMP2+APIP1=0.4000D-...\n & + 4.0000D-02 * RXRAT( 382 ) ! LIMP2+LIMP1=0.4000D-...\n & + 4.0000D-02 * RXRAT( 383 ) ! LIMP2+ISOP=0.4000D-...\n & + 4.0000D-02 * RXRAT( 384 ) ! APINP2+APIP1=0.4000D-...\n & + 4.0000D-02 * RXRAT( 385 ) ! APINP2+LIMP1=0.4000D-...\n & + 4.0000D-02 * RXRAT( 386 ) ! APINP2+ISOP=0.4000D-...\n & + 4.0000D-02 * RXRAT( 387 ) ! LIMNP2+APIP1=0.4000D-...\n & + 4.0000D-02 * RXRAT( 388 ) ! LIMNP2+LIMP1=0.4000D-...\n & + 4.0000D-02 * RXRAT( 389 ) ! LIMNP2+ISOP=0.4000D-...\n LOSS( ELHOM ) = 0.0D0\n\n PROD( VROCIOXY ) = 0.0D0\n LOSS( VROCIOXY ) = RXRAT( 391 ) ! VROCIOXY+HO=0.8520D+...\n\n PROD( SLOWROC ) = 0.0D0\n LOSS( SLOWROC ) = RXRAT( 392 ) ! SLOWROC+HO=ETHP+0.1010D-...\n\n PROD( ACRO ) = 8.9500D-01 * RXRAT( 398 ) ! BDE13P+NO=0.8950D+00*ACRO+...\n & + 9.2500D-01 * RXRAT( 399 ) ! BDE13P+NO3=0.9250D+00*ACRO+...\n & + 4.6300D-01 * RXRAT( 401 ) ! BDE13P+MO2=0.4630D+00*ACRO+...\n & + 7.4000D-01 * RXRAT( 402 ) ! BDE13P+ACO3=0.7400D+...\n & + 6.2000D-01 * RXRAT( 403 ) ! BDE13+O3=0.6200D+00*ACRO+...\n & + 9.0000D-01 * RXRAT( 404 ) ! BDE13+NO3=0.9000D+00*ACRO+...\n LOSS( ACRO ) = RXRAT( 393 ) ! ACRO+HO=0.5700D+00*MACP+...\n & + RXRAT( 394 ) ! ACRO+O3=0.8400D+00*CO+...\n & + RXRAT( 395 ) ! ACRO+NO3=0.6800D+00*HCHO+...\n & + RXRAT( 396 ) ! ACRO=CO+0.4770D+00*HO2+...\n\n PROD( BDE13 ) = 0.0D0\n LOSS( BDE13 ) = RXRAT( 397 ) ! BDE13+HO=0.6670D+00*BDE13P+...\n & + RXRAT( 403 ) ! BDE13+O3=0.6200D+00*ACRO+...\n & + RXRAT( 404 ) ! BDE13+NO3=0.9000D+00*OLNN+...\n\n PROD( BDE13P ) = 6.6700D-01 * RXRAT( 397 ) ! BDE13+HO=0.6670D+00*BDE13P+...\n LOSS( BDE13P ) = RXRAT( 398 ) ! BDE13P+NO=0.9680D+00*HO2+...\n & + RXRAT( 399 ) ! BDE13P+NO3=HO2+NO2+0.9250D+...\n & + RXRAT( 400 ) ! BDE13P+HO2=OP2\n & + RXRAT( 401 ) ! BDE13P+MO2=0.3200D+00*MOH+...\n & + RXRAT( 402 ) ! BDE13P+ACO3=0.7000D+00*MO2+...\n\n PROD( FURAN ) = 7.2000D-02 * RXRAT( 398 ) ! BDE13P+NO=0.7200D-01*FURAN+...\n & + 7.5000D-02 * RXRAT( 399 ) ! BDE13P+NO3=0.7500D-...\n & + 3.7000D-02 * RXRAT( 401 ) ! BDE13P+MO2=0.3700D-...\n & + 6.0000D-02 * RXRAT( 402 ) ! BDE13P+ACO3=0.6000D-...\n LOSS( FURAN ) = RXRAT( 405 ) ! FURAN+HO=0.4900D+00*DCB1+...\n & + RXRAT( 409 ) ! FURAN+O3=0.2000D-01*HO+ALD\n & + RXRAT( 410 ) ! FURAN+NO3=NO2+0.8000D+...\n\n PROD( FURANO2 ) = 5.1000D-01 * RXRAT( 405 ) ! FURAN+HO=0.5100D+...\n LOSS( FURANO2 ) = RXRAT( 406 ) ! FURANO2+NO=0.8000D-01*ONIT+...\n & + RXRAT( 407 ) ! FURANO2+HO2=0.6000D+00*OP2+...\n\n PROD( PROG ) = 0.0D0\n LOSS( PROG ) = RXRAT( 411 ) ! PROG+HO=0.6130D+00*HKET+...\n\n PROD( SESQ ) = 0.0D0\n LOSS( SESQ ) = RXRAT( 412 ) ! SESQ+NO3=SESQNRO2\n & + RXRAT( 416 ) ! SESQ+O3=0.9820D+...\n & + RXRAT( 417 ) ! SESQ+HO=SESQRO2\n\n PROD( SESQNRO2 ) = RXRAT( 412 ) ! SESQ+NO3=SESQNRO2\n LOSS( SESQNRO2 ) = RXRAT( 413 ) ! SESQNRO2+HO2=VROCP0OXY4\n & + RXRAT( 414 ) ! SESQNRO2+NO=VROCP3OXY2+...\n & + RXRAT( 415 ) ! SESQNRO2+NO3=VROCP3OXY2+...\n\n PROD( VROCN2OXY2 ) = 1.8000D-02 * RXRAT( 416 ) ! SESQ+O3=0.1800D-...\n & + RXRAT( 459 ) ! VROCP1ALKP+HO2=VROCN2OXY2\n & + RXRAT( 466 ) ! VROCP1ALKP2=VROCN2OXY2+HO2\n & + 1.4000D-01 * RXRAT( 472 ) ! VROCP2ALKP2+NO=0.1400D+...\n & + RXRAT( 473 ) ! VROCP1ALKP2+NO=VROCN2OXY2+...\n & + RXRAT( 480 ) ! VROCP1ALKP2+NO3=VROCN2OXY2+...\n & + RXRAT( 485 ) ! VROCP3ALKP2+HO2=VROCN2OXY2\n & + RXRAT( 486 ) ! VROCP2ALKP2+HO2=VROCN2OXY2\n & + RXRAT( 487 ) ! VROCP1ALKP2+HO2=VROCN2OXY2\n & + 8.8000D-03 * RXRAT( 511 ) ! VROCN1OXY3+HO=0.8800D-...\n & + 7.2610D-01 * RXRAT( 512 ) ! VROCN1OXY1+HO=0.7261D+...\n & + 1.1560D-01 * RXRAT( 514 ) ! VROCP0OXY2+HO=0.1156D+...\n & + 4.0000D-04 * RXRAT( 515 ) ! VROCP1OXY3+HO=0.4000D-...\n & + 3.3490D-01 * RXRAT( 516 ) ! VROCP1OXY1+HO=0.3349D+...\n & + 1.0400D-02 * RXRAT( 517 ) ! VROCP2OXY2+HO=0.1040D-...\n & + 9.0000D-04 * RXRAT( 518 ) ! VROCP3OXY2+HO=0.9000D-...\n & + 6.0000D-04 * RXRAT( 520 ) ! VROCP5OXY1+HO=0.6000D-...\n LOSS( VROCN2OXY2 ) = 7.8590D-01 * RXRAT( 509 ) ! VROCN2OXY2+HO=0.2141D+...\n\n PROD( SESQRO2 ) = RXRAT( 417 ) ! SESQ+HO=SESQRO2\n LOSS( SESQRO2 ) = RXRAT( 418 ) ! SESQRO2+HO2=VROCP0OXY2\n & + RXRAT( 419 ) ! SESQRO2+NO3=VROCP3OXY2\n & + RXRAT( 420 ) ! SESQRO2+NO=0.2470D+...\n\n PROD( VROCP0OXY2 ) = RXRAT( 418 ) ! SESQRO2+HO2=VROCP0OXY2\n & + 2.8000D-01 * RXRAT( 444 ) ! VROCP2ALKP+NO=0.2800D+...\n & + RXRAT( 457 ) ! VROCP3ALKP+HO2=VROCP0OXY2\n & + RXRAT( 464 ) ! VROCP3ALKP2=VROCP0OXY2+HO2\n & + 1.4000D-01 * RXRAT( 470 ) ! VROCP4ALKP2+NO=0.1400D+...\n & + 8.6000D-01 * RXRAT( 471 ) ! VROCP3ALKP2+NO=0.8600D+...\n & + RXRAT( 478 ) ! VROCP3ALKP2+NO3=VROCP0OXY2+...\n & + RXRAT( 483 ) ! VROCP5ALKP2+HO2=VROCP0OXY2\n & + 9.0480D-01 * RXRAT( 496 ) ! VROCP5AROP+HO2=0.9048D+...\n & + 4.5600D-02 * RXRAT( 509 ) ! VROCN2OXY2+HO=0.4560D-...\n & + 1.0400D-02 * RXRAT( 511 ) ! VROCN1OXY3+HO=0.1040D-...\n & + 4.5400D-02 * RXRAT( 512 ) ! VROCN1OXY1+HO=0.4540D-...\n & + 7.0000D-04 * RXRAT( 515 ) ! VROCP1OXY3+HO=0.7000D-...\n & + 7.6600D-02 * RXRAT( 516 ) ! VROCP1OXY1+HO=0.7660D-...\n & + 4.0300D-02 * RXRAT( 517 ) ! VROCP2OXY2+HO=0.4030D-...\n & + 1.5500D-02 * RXRAT( 518 ) ! VROCP3OXY2+HO=0.1550D-...\n & + 1.5300D-02 * RXRAT( 520 ) ! VROCP5OXY1+HO=0.1530D-...\n LOSS( VROCP0OXY2 ) = 9.9760D-01 * RXRAT( 514 ) ! VROCP0OXY2+HO=0.2400D-...\n\n PROD( VROCP1OXY3 ) = 2.4700D-01 * RXRAT( 420 ) ! SESQRO2+NO=0.2470D+...\n & + 1.4000D-01 * RXRAT( 469 ) ! VROCP5ALKP2+NO=0.1400D+...\n & + RXRAT( 482 ) ! VROCP6ALKP2+HO2=VROCP1OXY3\n & + 9.0480D-01 * RXRAT( 490 ) ! VROCP6AROP+HO2=0.9048D+...\n & + 1.8000D-03 * RXRAT( 497 ) ! VROCP5AROP+NO=0.1800D-...\n & + 9.0480D-01 * RXRAT( 502 ) ! NAPHP+HO2=0.9048D+...\n & + 3.8800D-02 * RXRAT( 508 ) ! VROCN2OXY4+HO=0.3880D-...\n & + 3.1400D-02 * RXRAT( 509 ) ! VROCN2OXY2+HO=0.3140D-...\n & + 5.1000D-02 * RXRAT( 511 ) ! VROCN1OXY3+HO=0.5100D-...\n & + 2.3400D-02 * RXRAT( 512 ) ! VROCN1OXY1+HO=0.2340D-...\n & + 3.9500D-02 * RXRAT( 514 ) ! VROCP0OXY2+HO=0.3950D-...\n & + 2.7700D-02 * RXRAT( 516 ) ! VROCP1OXY1+HO=0.2770D-...\n & + 5.1100D-02 * RXRAT( 517 ) ! VROCP2OXY2+HO=0.5110D-...\n & + 1.0510D-01 * RXRAT( 518 ) ! VROCP3OXY2+HO=0.1051D+...\n & + 9.1600D-02 * RXRAT( 519 ) ! VROCP4OXY2+HO=0.9160D-...\n & + 1.0380D-01 * RXRAT( 520 ) ! VROCP5OXY1+HO=0.1038D+...\n & + 5.0300D-02 * RXRAT( 521 ) ! VROCP6OXY1+HO=0.5030D-...\n LOSS( VROCP1OXY3 ) = 9.9940D-01 * RXRAT( 515 ) ! VROCP1OXY3+HO=0.6000D-...\n\n PROD( AGLYJ ) = RXRAT( 421 ) ! GLY=AGLYJ\n & + RXRAT( 422 ) ! MGLY=AGLYJ\n LOSS( AGLYJ ) = 0.0D0\n\n PROD( IEPOXP ) = RXRAT( 428 ) ! IEPOX=IEPOXP\n LOSS( IEPOXP ) = RXRAT( 429 ) ! IEPOXP=AISO3NOSJ\n & + RXRAT( 430 ) ! IEPOXP+ASO4J=AISO3OSJ\n\n PROD( AISO3NOSJ ) = RXRAT( 429 ) ! IEPOXP=AISO3NOSJ\n LOSS( AISO3NOSJ ) = 0.0D0\n\n PROD( ASO4J ) = 0.0D0\n LOSS( ASO4J ) = RXRAT( 430 ) ! ASO4J+IEPOXP=AISO3OSJ\n\n PROD( AISO3OSJ ) = RXRAT( 430 ) ! IEPOXP+ASO4J=AISO3OSJ\n LOSS( AISO3OSJ ) = 0.0D0\n\n PROD( AISO4J ) = RXRAT( 431 ) ! IPX=AISO4J\n LOSS( AISO4J ) = 0.0D0\n\n PROD( AISO5J ) = RXRAT( 432 ) ! INALD=AISO5J+HNO3\n LOSS( AISO5J ) = 0.0D0\n\n PROD( VROCP6ALK ) = 0.0D0\n LOSS( VROCP6ALK ) = RXRAT( 433 ) ! VROCP6ALK+HO=VROCP6ALKP\n\n PROD( VROCP6ALKP ) = RXRAT( 433 ) ! VROCP6ALK+HO=VROCP6ALKP\n LOSS( VROCP6ALKP ) = RXRAT( 440 ) ! VROCP6ALKP+NO=0.7200D+...\n & + RXRAT( 447 ) ! VROCP6ALKP+NO3=VROCP6ALKP2+NO2\n & + RXRAT( 454 ) ! VROCP6ALKP+HO2=VROCP3OXY2\n\n PROD( VROCP5ALK ) = 0.0D0\n LOSS( VROCP5ALK ) = RXRAT( 434 ) ! VROCP5ALK+HO=VROCP5ALKP\n\n PROD( VROCP5ALKP ) = RXRAT( 434 ) ! VROCP5ALK+HO=VROCP5ALKP\n LOSS( VROCP5ALKP ) = RXRAT( 441 ) ! VROCP5ALKP+NO=0.7200D+...\n & + RXRAT( 448 ) ! VROCP5ALKP+NO3=VROCP5ALKP2+NO2\n & + RXRAT( 455 ) ! VROCP5ALKP+HO2=VROCP2OXY2\n\n PROD( VROCP4ALK ) = 0.0D0\n LOSS( VROCP4ALK ) = RXRAT( 435 ) ! VROCP4ALK+HO=VROCP4ALKP\n\n PROD( VROCP4ALKP ) = RXRAT( 435 ) ! VROCP4ALK+HO=VROCP4ALKP\n LOSS( VROCP4ALKP ) = RXRAT( 442 ) ! VROCP4ALKP+NO=0.7200D+...\n & + RXRAT( 449 ) ! VROCP4ALKP+NO3=VROCP4ALKP2+NO2\n & + RXRAT( 456 ) ! VROCP4ALKP+HO2=VROCP1OXY1\n\n PROD( VROCP3ALK ) = 0.0D0\n LOSS( VROCP3ALK ) = RXRAT( 436 ) ! VROCP3ALK+HO=VROCP3ALKP\n\n PROD( VROCP3ALKP ) = RXRAT( 436 ) ! VROCP3ALK+HO=VROCP3ALKP\n LOSS( VROCP3ALKP ) = RXRAT( 443 ) ! VROCP3ALKP+NO=0.7200D+...\n & + RXRAT( 450 ) ! VROCP3ALKP+NO3=VROCP3ALKP2+NO2\n & + RXRAT( 457 ) ! VROCP3ALKP+HO2=VROCP0OXY2\n\n PROD( VROCP2ALK ) = 0.0D0\n LOSS( VROCP2ALK ) = RXRAT( 437 ) ! VROCP2ALK+HO=VROCP2ALKP\n\n PROD( VROCP2ALKP ) = RXRAT( 437 ) ! VROCP2ALK+HO=VROCP2ALKP\n LOSS( VROCP2ALKP ) = RXRAT( 444 ) ! VROCP2ALKP+NO=0.7200D+...\n & + RXRAT( 451 ) ! VROCP2ALKP+NO3=VROCP2ALKP2+NO2\n & + RXRAT( 458 ) ! VROCP2ALKP+HO2=VROCN1OXY1\n\n PROD( VROCP1ALK ) = 0.0D0\n LOSS( VROCP1ALK ) = RXRAT( 438 ) ! VROCP1ALK+HO=VROCP1ALKP\n\n PROD( VROCP1ALKP ) = RXRAT( 438 ) ! VROCP1ALK+HO=VROCP1ALKP\n LOSS( VROCP1ALKP ) = RXRAT( 445 ) ! VROCP1ALKP+NO=0.7200D+...\n & + RXRAT( 452 ) ! VROCP1ALKP+NO3=VROCP1ALKP2+NO2\n & + RXRAT( 459 ) ! VROCP1ALKP+HO2=VROCN2OXY2\n\n PROD( HC10 ) = 0.0D0\n LOSS( HC10 ) = RXRAT( 439 ) ! HC10+HO=HC10P\n\n PROD( VROCP6ALKP2 ) = 7.2000D-01 * RXRAT( 440 ) ! VROCP6ALKP+NO=0.7200D+...\n & + RXRAT( 447 ) ! VROCP6ALKP+NO3=VROCP6ALKP2+NO2\n LOSS( VROCP6ALKP2 ) = RXRAT( 461 ) ! VROCP6ALKP2=HO2+VROCP3OXY2\n & + RXRAT( 468 ) ! VROCP6ALKP2+NO=0.1400D+...\n & + RXRAT( 475 ) ! VROCP6ALKP2+NO3=NO2+...\n & + RXRAT( 482 ) ! VROCP6ALKP2+HO2=VROCP1OXY3\n\n PROD( VROCP5ALKP2 ) = 7.2000D-01 * RXRAT( 441 ) ! VROCP5ALKP+NO=0.7200D+...\n & + RXRAT( 448 ) ! VROCP5ALKP+NO3=VROCP5ALKP2+NO2\n LOSS( VROCP5ALKP2 ) = RXRAT( 462 ) ! VROCP5ALKP2=HO2+VROCP2OXY2\n & + RXRAT( 469 ) ! VROCP5ALKP2+NO=0.1400D+...\n & + RXRAT( 476 ) ! VROCP5ALKP2+NO3=NO2+...\n & + RXRAT( 483 ) ! VROCP5ALKP2+HO2=VROCP0OXY2\n\n PROD( VROCP4ALKP2 ) = 7.2000D-01 * RXRAT( 442 ) ! VROCP4ALKP+NO=0.7200D+...\n & + RXRAT( 449 ) ! VROCP4ALKP+NO3=VROCP4ALKP2+NO2\n LOSS( VROCP4ALKP2 ) = RXRAT( 463 ) ! VROCP4ALKP2=HO2+VROCP1OXY1\n & + RXRAT( 470 ) ! VROCP4ALKP2+NO=0.1400D+...\n & + RXRAT( 477 ) ! VROCP4ALKP2+NO3=NO2+...\n & + RXRAT( 484 ) ! VROCP4ALKP2+HO2=VROCN1OXY1\n\n PROD( VROCP2OXY2 ) = 2.8000D-01 * RXRAT( 442 ) ! VROCP4ALKP+NO=0.2800D+...\n & + RXRAT( 455 ) ! VROCP5ALKP+HO2=VROCP2OXY2\n & + RXRAT( 462 ) ! VROCP5ALKP2=VROCP2OXY2+HO2\n & + 1.4000D-01 * RXRAT( 468 ) ! VROCP6ALKP2+NO=0.1400D+...\n & + 8.6000D-01 * RXRAT( 469 ) ! VROCP5ALKP2+NO=0.8600D+...\n & + RXRAT( 476 ) ! VROCP5ALKP2+NO3=VROCP2OXY2+...\n & + RXRAT( 488 ) ! HC10P2+HO2=VROCP2OXY2\n & + 1.8000D-03 * RXRAT( 491 ) ! VROCP6AROP+NO=0.1800D-...\n & + 1.8000D-03 * RXRAT( 503 ) ! NAPHP+NO=0.1800D-...\n & + 4.9100D-02 * RXRAT( 508 ) ! VROCN2OXY4+HO=0.4910D-...\n & + 4.5900D-02 * RXRAT( 509 ) ! VROCN2OXY2+HO=0.4590D-...\n & + 5.1200D-02 * RXRAT( 511 ) ! VROCN1OXY3+HO=0.5120D-...\n & + 6.2400D-02 * RXRAT( 512 ) ! VROCN1OXY1+HO=0.6240D-...\n & + 6.6000D-02 * RXRAT( 513 ) ! VROCP0OXY4+HO=0.6600D-...\n & + 5.3900D-02 * RXRAT( 514 ) ! VROCP0OXY2+HO=0.5390D-...\n & + 2.2700D-02 * RXRAT( 515 ) ! VROCP1OXY3+HO=0.2270D-...\n & + 6.5100D-02 * RXRAT( 516 ) ! VROCP1OXY1+HO=0.6510D-...\n & + 5.3500D-02 * RXRAT( 518 ) ! VROCP3OXY2+HO=0.5350D-...\n & + 9.7200D-02 * RXRAT( 519 ) ! VROCP4OXY2+HO=0.9720D-...\n & + 1.6500D-01 * RXRAT( 520 ) ! VROCP5OXY1+HO=0.1650D+...\n & + 8.7900D-02 * RXRAT( 521 ) ! VROCP6OXY1+HO=0.8790D-...\n LOSS( VROCP2OXY2 ) = 9.7640D-01 * RXRAT( 517 ) ! VROCP2OXY2+HO=0.2360D-...\n\n PROD( VROCP3ALKP2 ) = 7.2000D-01 * RXRAT( 443 ) ! VROCP3ALKP+NO=0.7200D+...\n & + RXRAT( 450 ) ! VROCP3ALKP+NO3=VROCP3ALKP2+NO2\n LOSS( VROCP3ALKP2 ) = RXRAT( 464 ) ! VROCP3ALKP2=HO2+VROCP0OXY2\n & + RXRAT( 471 ) ! VROCP3ALKP2+NO=0.1400D+...\n & + RXRAT( 478 ) ! VROCP3ALKP2+NO3=NO2+...\n & + RXRAT( 485 ) ! VROCP3ALKP2+HO2=VROCN2OXY2\n\n PROD( VROCP1OXY1 ) = 2.8000D-01 * RXRAT( 443 ) ! VROCP3ALKP+NO=0.2800D+...\n & + RXRAT( 456 ) ! VROCP4ALKP+HO2=VROCP1OXY1\n & + RXRAT( 463 ) ! VROCP4ALKP2=VROCP1OXY1+HO2\n & + 8.6000D-01 * RXRAT( 470 ) ! VROCP4ALKP2+NO=0.8600D+...\n & + RXRAT( 477 ) ! VROCP4ALKP2+NO3=VROCP1OXY1+...\n & + 1.9900D-02 * RXRAT( 509 ) ! VROCN2OXY2+HO=0.1990D-...\n & + 7.5000D-03 * RXRAT( 511 ) ! VROCN1OXY3+HO=0.7500D-...\n & + 3.5200D-02 * RXRAT( 512 ) ! VROCN1OXY1+HO=0.3520D-...\n & + 2.1500D-02 * RXRAT( 514 ) ! VROCP0OXY2+HO=0.2150D-...\n & + 6.8000D-03 * RXRAT( 517 ) ! VROCP2OXY2+HO=0.6800D-...\n & + 1.3000D-03 * RXRAT( 518 ) ! VROCP3OXY2+HO=0.1300D-...\n & + 7.3000D-03 * RXRAT( 519 ) ! VROCP4OXY2+HO=0.7300D-...\n & + 3.1000D-03 * RXRAT( 520 ) ! VROCP5OXY1+HO=0.3100D-...\n & + 2.2000D-03 * RXRAT( 521 ) ! VROCP6OXY1+HO=0.2200D-...\n LOSS( VROCP1OXY1 ) = 9.8820D-01 * RXRAT( 516 ) ! VROCP1OXY1+HO=0.1180D-...\n\n PROD( VROCP2ALKP2 ) = 7.2000D-01 * RXRAT( 444 ) ! VROCP2ALKP+NO=0.7200D+...\n & + RXRAT( 451 ) ! VROCP2ALKP+NO3=VROCP2ALKP2+NO2\n LOSS( VROCP2ALKP2 ) = RXRAT( 465 ) ! VROCP2ALKP2=HO2+VROCN1OXY1\n & + RXRAT( 472 ) ! VROCP2ALKP2+NO=0.1400D+...\n & + RXRAT( 479 ) ! VROCP2ALKP2+NO3=NO2+...\n & + RXRAT( 486 ) ! VROCP2ALKP2+HO2=VROCN2OXY2\n\n PROD( VROCP1ALKP2 ) = 7.2000D-01 * RXRAT( 445 ) ! VROCP1ALKP+NO=0.7200D+...\n & + RXRAT( 452 ) ! VROCP1ALKP+NO3=VROCP1ALKP2+NO2\n LOSS( VROCP1ALKP2 ) = RXRAT( 466 ) ! VROCP1ALKP2=HO2+VROCN2OXY2\n & + RXRAT( 473 ) ! VROCP1ALKP2+NO=VROCN2OXY2+...\n & + RXRAT( 480 ) ! VROCP1ALKP2+NO3=NO2+...\n & + RXRAT( 487 ) ! VROCP1ALKP2+HO2=VROCN2OXY2\n\n PROD( VROCN1OXY1 ) = 2.8000D-01 * RXRAT( 445 ) ! VROCP1ALKP+NO=0.2800D+...\n & + RXRAT( 458 ) ! VROCP2ALKP+HO2=VROCN1OXY1\n & + RXRAT( 465 ) ! VROCP2ALKP2=VROCN1OXY1+HO2\n & + 1.4000D-01 * RXRAT( 471 ) ! VROCP3ALKP2+NO=0.1400D+...\n & + 8.6000D-01 * RXRAT( 472 ) ! VROCP2ALKP2+NO=0.8600D+...\n & + RXRAT( 479 ) ! VROCP2ALKP2+NO3=VROCN1OXY1+...\n & + RXRAT( 484 ) ! VROCP4ALKP2+HO2=VROCN1OXY1\n & + 9.6000D-03 * RXRAT( 509 ) ! VROCN2OXY2+HO=0.9600D-...\n & + 4.6000D-03 * RXRAT( 514 ) ! VROCP0OXY2+HO=0.4600D-...\n & + 7.5800D-02 * RXRAT( 516 ) ! VROCP1OXY1+HO=0.7580D-...\n & + 1.3000D-03 * RXRAT( 517 ) ! VROCP2OXY2+HO=0.1300D-...\n LOSS( VROCN1OXY1 ) = 9.9300D-01 * RXRAT( 512 ) ! VROCN1OXY1+HO=0.7000D-...\n\n PROD( HC10P2 ) = 7.4000D-01 * RXRAT( 446 ) ! HC10P+NO=0.7400D+00*HC10P2+...\n & + RXRAT( 453 ) ! HC10P+NO3=HC10P2+NO2\n LOSS( HC10P2 ) = RXRAT( 467 ) ! HC10P2=HO2+VROCP4OXY2\n & + RXRAT( 474 ) ! HC10P2+NO=0.1200D+00*ONIT+...\n & + RXRAT( 481 ) ! HC10P2+NO3=NO2+KET+HO2\n & + RXRAT( 488 ) ! HC10P2+HO2=VROCP2OXY2\n\n PROD( VROCP6ARO ) = 0.0D0\n LOSS( VROCP6ARO ) = RXRAT( 489 ) ! VROCP6ARO+HO=0.8400D+...\n\n PROD( VROCP6AROP ) = 8.4000D-01 * RXRAT( 489 ) ! VROCP6ARO+HO=0.8400D+...\n LOSS( VROCP6AROP ) = RXRAT( 490 ) ! VROCP6AROP+HO2=0.5950D-...\n & + RXRAT( 491 ) ! VROCP6AROP+NO=0.1000D-...\n & + RXRAT( 492 ) ! VROCP6AROP+NO3=NO2+0.9405D+...\n & + RXRAT( 493 ) ! VROCP6AROP+MO2=0.6800D+...\n & + RXRAT( 494 ) ! VROCP6AROP+ACO3=0.7000D+...\n\n PROD( VROCN2OXY4 ) = 3.5700D-02 * RXRAT( 490 ) ! VROCP6AROP+HO2=0.3570D-...\n & + 3.5700D-02 * RXRAT( 496 ) ! VROCP5AROP+HO2=0.3570D-...\n & + 1.0000D-04 * RXRAT( 497 ) ! VROCP5AROP+NO=0.1000D-...\n & + 5.6380D-01 * RXRAT( 509 ) ! VROCN2OXY2+HO=0.5638D+...\n & + 7.1000D-03 * RXRAT( 510 ) ! VROCN1OXY6+HO=0.7100D-...\n & + 4.0250D-01 * RXRAT( 511 ) ! VROCN1OXY3+HO=0.4025D+...\n & + 1.1900D-01 * RXRAT( 512 ) ! VROCN1OXY1+HO=0.1190D+...\n & + 1.1650D-01 * RXRAT( 513 ) ! VROCP0OXY4+HO=0.1165D+...\n & + 4.5790D-01 * RXRAT( 514 ) ! VROCP0OXY2+HO=0.4579D+...\n & + 1.9240D-01 * RXRAT( 515 ) ! VROCP1OXY3+HO=0.1924D+...\n & + 1.3400D-01 * RXRAT( 516 ) ! VROCP1OXY1+HO=0.1340D+...\n & + 1.7260D-01 * RXRAT( 517 ) ! VROCP2OXY2+HO=0.1726D+...\n & + 7.6500D-02 * RXRAT( 518 ) ! VROCP3OXY2+HO=0.7650D-...\n & + 1.6700D-02 * RXRAT( 519 ) ! VROCP4OXY2+HO=0.1670D-...\n & + 1.0300D-02 * RXRAT( 520 ) ! VROCP5OXY1+HO=0.1030D-...\n & + 8.0000D-04 * RXRAT( 522 ) ! OP3+HO=0.8000D-...\n LOSS( VROCN2OXY4 ) = 8.0230D-01 * RXRAT( 508 ) ! VROCN2OXY4+HO=0.1977D+...\n\n PROD( VROCN1OXY3 ) = 1.0000D-04 * RXRAT( 491 ) ! VROCP6AROP+NO=0.1000D-...\n & + 1.5200D-02 * RXRAT( 508 ) ! VROCN2OXY4+HO=0.1520D-...\n & + 2.9800D-02 * RXRAT( 509 ) ! VROCN2OXY2+HO=0.2980D-...\n & + 3.0500D-02 * RXRAT( 512 ) ! VROCN1OXY1+HO=0.3050D-...\n & + 1.8300D-02 * RXRAT( 513 ) ! VROCP0OXY4+HO=0.1830D-...\n & + 6.5700D-02 * RXRAT( 514 ) ! VROCP0OXY2+HO=0.6570D-...\n & + 4.5200D-02 * RXRAT( 515 ) ! VROCP1OXY3+HO=0.4520D-...\n & + 1.1930D-01 * RXRAT( 516 ) ! VROCP1OXY1+HO=0.1193D+...\n & + 1.1180D-01 * RXRAT( 517 ) ! VROCP2OXY2+HO=0.1118D+...\n & + 4.8900D-02 * RXRAT( 518 ) ! VROCP3OXY2+HO=0.4890D-...\n & + 2.4600D-02 * RXRAT( 519 ) ! VROCP4OXY2+HO=0.2460D-...\n & + 1.4600D-02 * RXRAT( 520 ) ! VROCP5OXY1+HO=0.1460D-...\n & + 4.9000D-03 * RXRAT( 521 ) ! VROCP6OXY1+HO=0.4900D-...\n LOSS( VROCN1OXY3 ) = 9.9240D-01 * RXRAT( 511 ) ! VROCN1OXY3+HO=0.7600D-...\n\n PROD( VROCP5ARO ) = 0.0D0\n LOSS( VROCP5ARO ) = RXRAT( 495 ) ! VROCP5ARO+HO=0.8400D+...\n\n PROD( VROCP5AROP ) = 8.4000D-01 * RXRAT( 495 ) ! VROCP5ARO+HO=0.8400D+...\n LOSS( VROCP5AROP ) = RXRAT( 496 ) ! VROCP5AROP+HO2=0.5950D-...\n & + RXRAT( 497 ) ! VROCP5AROP+NO=0.1000D-...\n & + RXRAT( 498 ) ! VROCP5AROP+NO3=NO2+0.9405D+...\n & + RXRAT( 499 ) ! VROCP5AROP+MO2=0.6800D+...\n & + RXRAT( 500 ) ! VROCP5AROP+ACO3=0.7000D+...\n\n PROD( NAPH ) = 0.0D0\n LOSS( NAPH ) = RXRAT( 501 ) ! NAPH+HO=0.8400D+00*NAPHP+...\n\n PROD( NAPHP ) = 8.4000D-01 * RXRAT( 501 ) ! NAPH+HO=0.8400D+00*NAPHP+...\n LOSS( NAPHP ) = RXRAT( 502 ) ! NAPHP+HO2=0.5950D-...\n & + RXRAT( 503 ) ! NAPHP+NO=0.5950D-...\n & + RXRAT( 504 ) ! NAPHP+NO3=NO2+0.9405D+...\n & + RXRAT( 505 ) ! NAPHP+MO2=0.6800D+00*HCHO+...\n & + RXRAT( 506 ) ! NAPHP+ACO3=0.7000D+00*MO2+...\n\n PROD( VROCN2OXY8 ) = 3.5700D-02 * RXRAT( 502 ) ! NAPHP+HO2=0.3570D-...\n & + 1.0000D-04 * RXRAT( 503 ) ! NAPHP+NO=0.1000D-...\n & + 4.6400D-01 * RXRAT( 508 ) ! VROCN2OXY4+HO=0.4640D+...\n & + 1.0410D-01 * RXRAT( 509 ) ! VROCN2OXY2+HO=0.1041D+...\n & + 2.0360D-01 * RXRAT( 510 ) ! VROCN1OXY6+HO=0.2036D+...\n & + 2.7920D-01 * RXRAT( 511 ) ! VROCN1OXY3+HO=0.2792D+...\n & + 7.4000D-03 * RXRAT( 512 ) ! VROCN1OXY1+HO=0.7400D-...\n & + 2.8220D-01 * RXRAT( 513 ) ! VROCP0OXY4+HO=0.2822D+...\n & + 6.5900D-02 * RXRAT( 514 ) ! VROCP0OXY2+HO=0.6590D-...\n & + 1.7780D-01 * RXRAT( 515 ) ! VROCP1OXY3+HO=0.1778D+...\n & + 2.3000D-03 * RXRAT( 516 ) ! VROCP1OXY1+HO=0.2300D-...\n & + 4.4500D-02 * RXRAT( 517 ) ! VROCP2OXY2+HO=0.4450D-...\n & + 3.1700D-02 * RXRAT( 518 ) ! VROCP3OXY2+HO=0.3170D-...\n & + 1.1700D-02 * RXRAT( 519 ) ! VROCP4OXY2+HO=0.1170D-...\n & + 1.1880D-01 * RXRAT( 522 ) ! OP3+HO=0.1188D+...\n LOSS( VROCN2OXY8 ) = 9.1460D-01 * RXRAT( 507 ) ! VROCN2OXY8+HO=0.8540D-...\n\n PROD( VROCP5OXY1 ) = 3.2500D-02 * RXRAT( 509 ) ! VROCN2OXY2+HO=0.3250D-...\n & + 1.3800D-02 * RXRAT( 511 ) ! VROCN1OXY3+HO=0.1380D-...\n & + 3.4700D-02 * RXRAT( 512 ) ! VROCN1OXY1+HO=0.3470D-...\n & + 3.7100D-02 * RXRAT( 514 ) ! VROCP0OXY2+HO=0.3710D-...\n & + 1.7400D-02 * RXRAT( 515 ) ! VROCP1OXY3+HO=0.1740D-...\n & + 4.2300D-02 * RXRAT( 516 ) ! VROCP1OXY1+HO=0.4230D-...\n & + 5.2300D-02 * RXRAT( 517 ) ! VROCP2OXY2+HO=0.5230D-...\n & + 5.8200D-02 * RXRAT( 518 ) ! VROCP3OXY2+HO=0.5820D-...\n & + 4.7900D-02 * RXRAT( 519 ) ! VROCP4OXY2+HO=0.4790D-...\n & + 4.3200D-02 * RXRAT( 521 ) ! VROCP6OXY1+HO=0.4320D-...\n LOSS( VROCP5OXY1 ) = 9.9380D-01 * RXRAT( 520 ) ! VROCP5OXY1+HO=0.6200D-...\n\n PROD( VROCP6OXY1 ) = 3.6900D-02 * RXRAT( 509 ) ! VROCN2OXY2+HO=0.3690D-...\n & + 7.4800D-02 * RXRAT( 512 ) ! VROCN1OXY1+HO=0.7480D-...\n & + 4.2100D-02 * RXRAT( 514 ) ! VROCP0OXY2+HO=0.4210D-...\n & + 9.1100D-02 * RXRAT( 516 ) ! VROCP1OXY1+HO=0.9110D-...\n & + 5.9500D-02 * RXRAT( 517 ) ! VROCP2OXY2+HO=0.5950D-...\n & + 6.6100D-02 * RXRAT( 518 ) ! VROCP3OXY2+HO=0.6610D-...\n & + 7.4500D-02 * RXRAT( 519 ) ! VROCP4OXY2+HO=0.7450D-...\n & + 1.3980D-01 * RXRAT( 520 ) ! VROCP5OXY1+HO=0.1398D+...\n LOSS( VROCP6OXY1 ) = 9.0430D-01 * RXRAT( 521 ) ! VROCP6OXY1+HO=0.9570D-...\n\n PROD( ECH4 ) = 0.0D0\n LOSS( ECH4 ) = RXRAT( 523 ) ! ECH4+HO=MO2\n\n PROD( ATRPNJ ) = 0.0D0\n LOSS( ATRPNJ ) = RXRAT( 524 ) ! ATRPNJ=AHOMJ+HNO3\n\n PROD( AHOMJ ) = RXRAT( 524 ) ! ATRPNJ=AHOMJ+HNO3\n & + RXRAT( 525 ) ! AHONITJ=AHOMJ+HNO3\n LOSS( AHOMJ ) = 0.0D0\n\n PROD( AHONITJ ) = 0.0D0\n LOSS( AHONITJ ) = RXRAT( 525 ) ! AHONITJ=AHOMJ+HNO3\n\n PROD( STY ) = 0.0D0\n LOSS( STY ) = RXRAT( 526 ) ! STY+HO=STYP\n\n PROD( STYP ) = RXRAT( 526 ) ! STY+HO=STYP\n LOSS( STYP ) = RXRAT( 527 ) ! STYP+HO2=VROCP3OXY2\n & + RXRAT( 528 ) ! STYP+NO=NO2+HO2+HCHO+BALD\n & + RXRAT( 529 ) ! STYP+NO3=NO2+HO2+HCHO+BALD\n & + RXRAT( 530 ) ! STYP+MO2=0.1370D+01*HO2+...\n & + RXRAT( 531 ) ! STYP+ACO3=HO2+HCHO+BALD+...\n\n RETURN\n\n END\n" }, { "path": "CCTM/src/gas/ebi_cracmm2/hrrates.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE HRRATES\n\nC***********************************************************************\nC\nC FUNCTION: To calculate rates of reactions\nC\nC PRECONDITIONS: For the CRACMM2 mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Mar 15, 2024\nC\nC***********************************************************************\n USE HRDATA\n\n IMPLICIT NONE\n\nC.....INCLUDES: NONE\n\n\nC.....ARGUMENTS: NONE\n\n\nC.....PARAMETERS: NONE\n\n\nC.....EXTERNAL FUNCTIONS: NONE\n\n\nC.....SAVED VARIABLES: NONE\n! CHARACTER( 16 ), SAVE :: PNAME = 'HRRATES' ! Program name\n\n\nC.....LOCAL VARIABLES: None\n\nC***********************************************************************\nC..NOTE: RXRAT commented out are not referenced by any routine\n RXRAT( 1 ) = RKI( 1 ) * YC( O3 )\n RXRAT( 2 ) = RKI( 2 ) * YC( O3 )\n RXRAT( 3 ) = RKI( 3 ) * YC( H2O2 )\n! RXRAT( 4 ) = RKI( 4 ) * YC( NO2 )\n RXRAT( 5 ) = RKI( 5 ) * YC( NO3 )\n RXRAT( 6 ) = RKI( 6 ) * YC( NO3 )\n RXRAT( 7 ) = RKI( 7 ) * YC( HONO )\n RXRAT( 8 ) = RKI( 8 ) * YC( HNO3 )\n RXRAT( 9 ) = RKI( 9 ) * YC( HNO4 )\n RXRAT( 10 ) = RKI( 10 ) * YC( HCHO )\n RXRAT( 11 ) = RKI( 11 ) * YC( HCHO )\n RXRAT( 12 ) = RKI( 12 ) * YC( ACD )\n RXRAT( 13 ) = RKI( 13 ) * YC( ALD )\n RXRAT( 14 ) = RKI( 14 ) * YC( ACT )\n RXRAT( 15 ) = RKI( 15 ) * YC( ACT )\n RXRAT( 16 ) = RKI( 16 ) * YC( UALD )\n RXRAT( 17 ) = RKI( 17 ) * YC( PINAL )\n RXRAT( 18 ) = RKI( 18 ) * YC( LIMAL )\n RXRAT( 19 ) = RKI( 19 ) * YC( MEK )\n RXRAT( 20 ) = RKI( 20 ) * YC( KET )\n RXRAT( 21 ) = RKI( 21 ) * YC( HKET )\n RXRAT( 22 ) = RKI( 22 ) * YC( MACR )\n RXRAT( 23 ) = RKI( 23 ) * YC( MVK )\n RXRAT( 24 ) = RKI( 24 ) * YC( GLY )\n RXRAT( 25 ) = RKI( 25 ) * YC( GLY )\n RXRAT( 26 ) = RKI( 26 ) * YC( GLY )\n RXRAT( 27 ) = RKI( 27 ) * YC( MGLY )\n RXRAT( 28 ) = RKI( 28 ) * YC( DCB1 )\n RXRAT( 29 ) = RKI( 29 ) * YC( DCB2 )\n RXRAT( 30 ) = RKI( 30 ) * YC( BALD )\n RXRAT( 31 ) = RKI( 31 ) * YC( OP1 )\n RXRAT( 32 ) = RKI( 32 ) * YC( OP2 )\n RXRAT( 33 ) = RKI( 33 ) * YC( OPB )\n RXRAT( 34 ) = RKI( 34 ) * YC( OP3 )\n RXRAT( 35 ) = RKI( 35 ) * YC( PAA )\n RXRAT( 36 ) = RKI( 36 ) * YC( ONIT )\n RXRAT( 37 ) = RKI( 37 ) * YC( PAN )\n RXRAT( 38 ) = RKI( 38 ) * YC( PAN )\n RXRAT( 39 ) = RKI( 39 ) * YC( TRPN )\n RXRAT( 40 ) = RKI( 40 ) * YC( HONIT )\n! RXRAT( 41 ) = RKI( 41 ) * YC( O3 ) * YC( HO )\n! RXRAT( 42 ) = RKI( 42 ) * YC( O3 ) * YC( HO2 )\n! RXRAT( 43 ) = RKI( 43 ) * YC( O3 ) * YC( NO )\n RXRAT( 44 ) = RKI( 44 ) * YC( O3 ) * YC( NO2 )\n! RXRAT( 45 ) = RKI( 45 ) * YC( O3P )\n! RXRAT( 46 ) = RKI( 46 ) * YC( O3P ) * YC( O3 )\n! RXRAT( 47 ) = RKI( 47 ) * YC( O1D )\n! RXRAT( 48 ) = RKI( 48 ) * YC( O1D )\n! RXRAT( 49 ) = RKI( 49 ) * YC( O1D )\n! RXRAT( 50 ) = RKI( 50 ) * YC( HO )\n! RXRAT( 51 ) = RKI( 51 ) * YC( HO ) * YC( HO2 )\n RXRAT( 52 ) = RKI( 52 ) * YC( HO2 ) * YC( HO2 )\n RXRAT( 53 ) = RKI( 53 ) * YC( HO2 ) * YC( HO2 )\n RXRAT( 54 ) = RKI( 54 ) * YC( H2O2 ) * YC( HO )\n! RXRAT( 55 ) = RKI( 55 ) * YC( NO ) * YC( O3P )\n! RXRAT( 56 ) = RKI( 56 ) * YC( NO ) * YC( HO )\n! RXRAT( 57 ) = RKI( 57 ) * YC( NO ) * YC( HO2 )\n RXRAT( 58 ) = RKI( 58 ) * YC( NO ) * YC( HO2 )\n! RXRAT( 59 ) = RKI( 59 ) * YC( NO ) * YC( NO )\n RXRAT( 60 ) = RKI( 60 ) * YC( HONO ) * YC( HO )\n! RXRAT( 61 ) = RKI( 61 ) * YC( NO2 ) * YC( O3P )\n RXRAT( 62 ) = RKI( 62 ) * YC( NO2 ) * YC( O3P )\n RXRAT( 63 ) = RKI( 63 ) * YC( NO2 ) * YC( HO )\n RXRAT( 64 ) = RKI( 64 ) * YC( HNO3 ) * YC( HO )\n RXRAT( 65 ) = RKI( 65 ) * YC( NO3 ) * YC( HO )\n RXRAT( 66 ) = RKI( 66 ) * YC( NO3 ) * YC( HO2 )\n RXRAT( 67 ) = RKI( 67 ) * YC( NO3 ) * YC( NO )\n RXRAT( 68 ) = RKI( 68 ) * YC( NO3 ) * YC( NO2 )\n RXRAT( 69 ) = RKI( 69 ) * YC( NO3 ) * YC( NO3 )\n! RXRAT( 70 ) = RKI( 70 ) * YC( NO3 ) * YC( NO2 )\n RXRAT( 71 ) = RKI( 71 ) * YC( N2O5 )\n RXRAT( 72 ) = RKI( 72 ) * YC( N2O5 )\n! RXRAT( 73 ) = RKI( 73 ) * YC( NO2 ) * YC( HO2 )\n RXRAT( 74 ) = RKI( 74 ) * YC( HNO4 )\n RXRAT( 75 ) = RKI( 75 ) * YC( HNO4 ) * YC( HO )\n RXRAT( 76 ) = RKI( 76 ) * YC( SO2 ) * YC( HO )\n RXRAT( 77 ) = RKI( 77 ) * YC( CO ) * YC( HO )\n RXRAT( 78 ) = RKI( 78 ) * YC( HO )\n RXRAT( 79 ) = RKI( 79 ) * YC( ETH ) * YC( HO )\n RXRAT( 80 ) = RKI( 80 ) * YC( HC3 ) * YC( HO )\n RXRAT( 81 ) = RKI( 81 ) * YC( HC5 ) * YC( HO )\n RXRAT( 82 ) = RKI( 82 ) * YC( ETE ) * YC( HO )\n RXRAT( 83 ) = RKI( 83 ) * YC( OLT ) * YC( HO )\n RXRAT( 84 ) = RKI( 84 ) * YC( OLI ) * YC( HO )\n RXRAT( 85 ) = RKI( 85 ) * YC( ACE ) * YC( HO )\n RXRAT( 86 ) = RKI( 86 ) * YC( BEN ) * YC( HO )\n RXRAT( 87 ) = RKI( 87 ) * YC( TOL ) * YC( HO )\n RXRAT( 88 ) = RKI( 88 ) * YC( XYL ) * YC( HO )\n RXRAT( 89 ) = RKI( 89 ) * YC( EBZ ) * YC( HO )\n RXRAT( 90 ) = RKI( 90 ) * YC( ISO ) * YC( O3 )\n RXRAT( 91 ) = RKI( 91 ) * YC( ISO ) * YC( NO3 )\n RXRAT( 92 ) = RKI( 92 ) * YC( ISO ) * YC( HO )\n RXRAT( 93 ) = RKI( 93 ) * YC( ISOP ) * YC( HO2 )\n RXRAT( 94 ) = RKI( 94 ) * YC( ISOP ) * YC( NO )\n RXRAT( 95 ) = RKI( 95 ) * YC( ISHP ) * YC( HO )\n RXRAT( 96 ) = RKI( 96 ) * YC( ISHP ) * YC( HO )\n RXRAT( 97 ) = RKI( 97 ) * YC( INO2 ) * YC( HO2 )\n RXRAT( 98 ) = RKI( 98 ) * YC( INO2 ) * YC( NO )\n RXRAT( 99 ) = RKI( 99 ) * YC( ISON ) * YC( HO )\n RXRAT( 100 ) = RKI( 100 ) * YC( HO ) * YC( INALD )\n RXRAT( 101 ) = RKI( 101 ) * YC( ISON )\n RXRAT( 102 ) = RKI( 102 ) * YC( IPX ) * YC( HO )\n RXRAT( 103 ) = RKI( 103 ) * YC( API ) * YC( HO )\n RXRAT( 104 ) = RKI( 104 ) * YC( LIM ) * YC( HO )\n RXRAT( 105 ) = RKI( 105 ) * YC( PINAL ) * YC( HO )\n RXRAT( 106 ) = RKI( 106 ) * YC( LIMAL ) * YC( HO )\n RXRAT( 107 ) = RKI( 107 ) * YC( HCHO ) * YC( HO )\n RXRAT( 108 ) = RKI( 108 ) * YC( ACD ) * YC( HO )\n RXRAT( 109 ) = RKI( 109 ) * YC( ALD ) * YC( HO )\n RXRAT( 110 ) = RKI( 110 ) * YC( ACT ) * YC( HO )\n RXRAT( 111 ) = RKI( 111 ) * YC( MEK ) * YC( HO )\n RXRAT( 112 ) = RKI( 112 ) * YC( KET ) * YC( HO )\n RXRAT( 113 ) = RKI( 113 ) * YC( HKET ) * YC( HO )\n RXRAT( 114 ) = RKI( 114 ) * YC( MACR ) * YC( HO )\n RXRAT( 115 ) = RKI( 115 ) * YC( MVK ) * YC( HO )\n RXRAT( 116 ) = RKI( 116 ) * YC( UALD ) * YC( HO )\n RXRAT( 117 ) = RKI( 117 ) * YC( GLY ) * YC( HO )\n RXRAT( 118 ) = RKI( 118 ) * YC( MGLY ) * YC( HO )\n RXRAT( 119 ) = RKI( 119 ) * YC( DCB1 ) * YC( HO )\n RXRAT( 120 ) = RKI( 120 ) * YC( DCB2 ) * YC( HO )\n RXRAT( 121 ) = RKI( 121 ) * YC( DCB3 ) * YC( HO )\n RXRAT( 122 ) = RKI( 122 ) * YC( BALD ) * YC( HO )\n RXRAT( 123 ) = RKI( 123 ) * YC( PHEN ) * YC( HO )\n RXRAT( 124 ) = RKI( 124 ) * YC( CSL ) * YC( HO )\n RXRAT( 125 ) = RKI( 125 ) * YC( MCT ) * YC( HO )\n RXRAT( 126 ) = RKI( 126 ) * YC( MOH ) * YC( HO )\n RXRAT( 127 ) = RKI( 127 ) * YC( EOH ) * YC( HO )\n RXRAT( 128 ) = RKI( 128 ) * YC( ROH ) * YC( HO )\n RXRAT( 129 ) = RKI( 129 ) * YC( ETEG ) * YC( HO )\n RXRAT( 130 ) = RKI( 130 ) * YC( OP1 ) * YC( HO )\n RXRAT( 131 ) = RKI( 131 ) * YC( OP2 ) * YC( HO )\n RXRAT( 132 ) = RKI( 132 ) * YC( OPB ) * YC( HO )\n RXRAT( 133 ) = RKI( 133 ) * YC( OP3 ) * YC( HO )\n RXRAT( 134 ) = RKI( 134 ) * YC( MAHP ) * YC( HO )\n RXRAT( 135 ) = RKI( 135 ) * YC( ORA1 ) * YC( HO )\n RXRAT( 136 ) = RKI( 136 ) * YC( ORA2 ) * YC( HO )\n RXRAT( 137 ) = RKI( 137 ) * YC( PAA ) * YC( HO )\n RXRAT( 138 ) = RKI( 138 ) * YC( PAN ) * YC( HO )\n RXRAT( 139 ) = RKI( 139 ) * YC( PPN ) * YC( HO )\n RXRAT( 140 ) = RKI( 140 ) * YC( MPAN ) * YC( HO )\n RXRAT( 141 ) = RKI( 141 ) * YC( ONIT ) * YC( HO )\n RXRAT( 142 ) = RKI( 142 ) * YC( TRPN ) * YC( HO )\n RXRAT( 143 ) = RKI( 143 ) * YC( HONIT ) * YC( HO )\n RXRAT( 144 ) = RKI( 144 ) * YC( ETE ) * YC( O3 )\n RXRAT( 145 ) = RKI( 145 ) * YC( OLT ) * YC( O3 )\n RXRAT( 146 ) = RKI( 146 ) * YC( OLI ) * YC( O3 )\n RXRAT( 147 ) = RKI( 147 ) * YC( API ) * YC( O3 )\n RXRAT( 148 ) = RKI( 148 ) * YC( LIM ) * YC( O3 )\n RXRAT( 149 ) = RKI( 149 ) * YC( LIMAL ) * YC( O3 )\n RXRAT( 150 ) = RKI( 150 ) * YC( TRPN ) * YC( O3 )\n RXRAT( 151 ) = RKI( 151 ) * YC( MACR ) * YC( O3 )\n RXRAT( 152 ) = RKI( 152 ) * YC( MVK ) * YC( O3 )\n RXRAT( 153 ) = RKI( 153 ) * YC( UALD ) * YC( O3 )\n RXRAT( 154 ) = RKI( 154 ) * YC( DCB1 ) * YC( O3 )\n RXRAT( 155 ) = RKI( 155 ) * YC( DCB2 ) * YC( O3 )\n RXRAT( 156 ) = RKI( 156 ) * YC( DCB3 ) * YC( O3 )\n RXRAT( 157 ) = RKI( 157 ) * YC( MCTO ) * YC( O3 )\n RXRAT( 158 ) = RKI( 158 ) * YC( ETE ) * YC( NO3 )\n RXRAT( 159 ) = RKI( 159 ) * YC( OLT ) * YC( NO3 )\n RXRAT( 160 ) = RKI( 160 ) * YC( OLI ) * YC( NO3 )\n RXRAT( 161 ) = RKI( 161 ) * YC( API ) * YC( NO3 )\n RXRAT( 162 ) = RKI( 162 ) * YC( LIM ) * YC( NO3 )\n RXRAT( 163 ) = RKI( 163 ) * YC( TRPN ) * YC( NO3 )\n RXRAT( 164 ) = RKI( 164 ) * YC( HCHO ) * YC( NO3 )\n RXRAT( 165 ) = RKI( 165 ) * YC( ACD ) * YC( NO3 )\n RXRAT( 166 ) = RKI( 166 ) * YC( ALD ) * YC( NO3 )\n RXRAT( 167 ) = RKI( 167 ) * YC( MACR ) * YC( NO3 )\n RXRAT( 168 ) = RKI( 168 ) * YC( UALD ) * YC( NO3 )\n RXRAT( 169 ) = RKI( 169 ) * YC( GLY ) * YC( NO3 )\n RXRAT( 170 ) = RKI( 170 ) * YC( MGLY ) * YC( NO3 )\n RXRAT( 171 ) = RKI( 171 ) * YC( PHEN ) * YC( NO3 )\n RXRAT( 172 ) = RKI( 172 ) * YC( CSL ) * YC( NO3 )\n RXRAT( 173 ) = RKI( 173 ) * YC( MCT ) * YC( NO3 )\n RXRAT( 174 ) = RKI( 174 ) * YC( MPAN ) * YC( NO3 )\n RXRAT( 175 ) = RKI( 175 ) * YC( PINALP )\n RXRAT( 176 ) = RKI( 176 ) * YC( LIMALP )\n! RXRAT( 177 ) = RKI( 177 ) * YC( ACO3 ) * YC( NO2 )\n RXRAT( 178 ) = RKI( 178 ) * YC( PAN )\n RXRAT( 179 ) = RKI( 179 ) * YC( RCO3 ) * YC( NO2 )\n RXRAT( 180 ) = RKI( 180 ) * YC( PPN )\n RXRAT( 181 ) = RKI( 181 ) * YC( MACP ) * YC( NO2 )\n RXRAT( 182 ) = RKI( 182 ) * YC( MPAN )\n RXRAT( 183 ) = RKI( 183 ) * YC( MO2 ) * YC( NO )\n RXRAT( 184 ) = RKI( 184 ) * YC( ETHP ) * YC( NO )\n RXRAT( 185 ) = RKI( 185 ) * YC( HC3P ) * YC( NO )\n RXRAT( 186 ) = RKI( 186 ) * YC( HC5P ) * YC( NO )\n RXRAT( 187 ) = RKI( 187 ) * YC( ETEP ) * YC( NO )\n RXRAT( 188 ) = RKI( 188 ) * YC( OLTP ) * YC( NO )\n RXRAT( 189 ) = RKI( 189 ) * YC( OLIP ) * YC( NO )\n RXRAT( 190 ) = RKI( 190 ) * YC( BENP ) * YC( NO )\n RXRAT( 191 ) = RKI( 191 ) * YC( TOLP ) * YC( NO )\n RXRAT( 192 ) = RKI( 192 ) * YC( XYLP ) * YC( NO )\n RXRAT( 193 ) = RKI( 193 ) * YC( EBZP ) * YC( NO )\n RXRAT( 194 ) = RKI( 194 ) * YC( APIP1 ) * YC( NO )\n RXRAT( 195 ) = RKI( 195 ) * YC( APIP2 ) * YC( NO )\n RXRAT( 196 ) = RKI( 196 ) * YC( APINP1 ) * YC( NO )\n RXRAT( 197 ) = RKI( 197 ) * YC( APINP2 ) * YC( NO )\n RXRAT( 198 ) = RKI( 198 ) * YC( LIMP1 ) * YC( NO )\n RXRAT( 199 ) = RKI( 199 ) * YC( LIMP2 ) * YC( NO )\n RXRAT( 200 ) = RKI( 200 ) * YC( LIMNP1 ) * YC( NO )\n RXRAT( 201 ) = RKI( 201 ) * YC( LIMNP2 ) * YC( NO )\n RXRAT( 202 ) = RKI( 202 ) * YC( PINALP ) * YC( NO )\n RXRAT( 203 ) = RKI( 203 ) * YC( LIMALP ) * YC( NO )\n RXRAT( 204 ) = RKI( 204 ) * YC( ACO3 ) * YC( NO )\n RXRAT( 205 ) = RKI( 205 ) * YC( RCO3 ) * YC( NO )\n RXRAT( 206 ) = RKI( 206 ) * YC( ACTP ) * YC( NO )\n RXRAT( 207 ) = RKI( 207 ) * YC( MEKP ) * YC( NO )\n RXRAT( 208 ) = RKI( 208 ) * YC( KETP ) * YC( NO )\n RXRAT( 209 ) = RKI( 209 ) * YC( MACP ) * YC( NO )\n RXRAT( 210 ) = RKI( 210 ) * YC( MCP ) * YC( NO )\n RXRAT( 211 ) = RKI( 211 ) * YC( MVKP ) * YC( NO )\n RXRAT( 212 ) = RKI( 212 ) * YC( UALP ) * YC( NO )\n RXRAT( 213 ) = RKI( 213 ) * YC( BALP ) * YC( NO )\n RXRAT( 214 ) = RKI( 214 ) * YC( BAL1 ) * YC( NO )\n RXRAT( 215 ) = RKI( 215 ) * YC( ADDC ) * YC( NO )\n RXRAT( 216 ) = RKI( 216 ) * YC( MCTP ) * YC( NO )\n RXRAT( 217 ) = RKI( 217 ) * YC( ORAP ) * YC( NO )\n RXRAT( 218 ) = RKI( 218 ) * YC( OLNN ) * YC( NO )\n RXRAT( 219 ) = RKI( 219 ) * YC( OLND ) * YC( NO )\n RXRAT( 220 ) = RKI( 220 ) * YC( ADCN ) * YC( NO )\n RXRAT( 221 ) = RKI( 221 ) * YC( XO2 ) * YC( NO )\n RXRAT( 222 ) = RKI( 222 ) * YC( BAL2 ) * YC( NO2 )\n RXRAT( 223 ) = RKI( 223 ) * YC( CHO ) * YC( NO2 )\n RXRAT( 224 ) = RKI( 224 ) * YC( MCTO ) * YC( NO2 )\n RXRAT( 225 ) = RKI( 225 ) * YC( MO2 ) * YC( HO2 )\n RXRAT( 226 ) = RKI( 226 ) * YC( ETHP ) * YC( HO2 )\n RXRAT( 227 ) = RKI( 227 ) * YC( HC3P ) * YC( HO2 )\n RXRAT( 228 ) = RKI( 228 ) * YC( HC5P ) * YC( HO2 )\n RXRAT( 229 ) = RKI( 229 ) * YC( ETEP ) * YC( HO2 )\n RXRAT( 230 ) = RKI( 230 ) * YC( OLTP ) * YC( HO2 )\n RXRAT( 231 ) = RKI( 231 ) * YC( OLIP ) * YC( HO2 )\n RXRAT( 232 ) = RKI( 232 ) * YC( BENP ) * YC( HO2 )\n RXRAT( 233 ) = RKI( 233 ) * YC( TOLP ) * YC( HO2 )\n RXRAT( 234 ) = RKI( 234 ) * YC( XYLP ) * YC( HO2 )\n RXRAT( 235 ) = RKI( 235 ) * YC( EBZP ) * YC( HO2 )\n RXRAT( 236 ) = RKI( 236 ) * YC( APIP1 ) * YC( HO2 )\n RXRAT( 237 ) = RKI( 237 ) * YC( APIP2 ) * YC( HO2 )\n RXRAT( 238 ) = RKI( 238 ) * YC( APINP1 ) * YC( HO2 )\n RXRAT( 239 ) = RKI( 239 ) * YC( APINP2 ) * YC( HO2 )\n RXRAT( 240 ) = RKI( 240 ) * YC( LIMP1 ) * YC( HO2 )\n RXRAT( 241 ) = RKI( 241 ) * YC( LIMP2 ) * YC( HO2 )\n RXRAT( 242 ) = RKI( 242 ) * YC( LIMNP1 ) * YC( HO2 )\n RXRAT( 243 ) = RKI( 243 ) * YC( LIMNP2 ) * YC( HO2 )\n RXRAT( 244 ) = RKI( 244 ) * YC( PINALP ) * YC( HO2 )\n RXRAT( 245 ) = RKI( 245 ) * YC( LIMALP ) * YC( HO2 )\n RXRAT( 246 ) = RKI( 246 ) * YC( ACO3 ) * YC( HO2 )\n RXRAT( 247 ) = RKI( 247 ) * YC( RCO3 ) * YC( HO2 )\n RXRAT( 248 ) = RKI( 248 ) * YC( ACTP ) * YC( HO2 )\n RXRAT( 249 ) = RKI( 249 ) * YC( MEKP ) * YC( HO2 )\n RXRAT( 250 ) = RKI( 250 ) * YC( KETP ) * YC( HO2 )\n RXRAT( 251 ) = RKI( 251 ) * YC( MACP ) * YC( HO2 )\n RXRAT( 252 ) = RKI( 252 ) * YC( MCP ) * YC( HO2 )\n RXRAT( 253 ) = RKI( 253 ) * YC( MVKP ) * YC( HO2 )\n RXRAT( 254 ) = RKI( 254 ) * YC( UALP ) * YC( HO2 )\n RXRAT( 255 ) = RKI( 255 ) * YC( ADDC ) * YC( HO2 )\n RXRAT( 256 ) = RKI( 256 ) * YC( CHO ) * YC( HO2 )\n RXRAT( 257 ) = RKI( 257 ) * YC( MCTP ) * YC( HO2 )\n RXRAT( 258 ) = RKI( 258 ) * YC( ORAP ) * YC( HO2 )\n RXRAT( 259 ) = RKI( 259 ) * YC( OLNN ) * YC( HO2 )\n RXRAT( 260 ) = RKI( 260 ) * YC( OLND ) * YC( HO2 )\n RXRAT( 261 ) = RKI( 261 ) * YC( ADCN ) * YC( HO2 )\n RXRAT( 262 ) = RKI( 262 ) * YC( XO2 ) * YC( HO2 )\n RXRAT( 263 ) = RKI( 263 ) * YC( MO2 ) * YC( MO2 )\n RXRAT( 264 ) = RKI( 264 ) * YC( ETHP ) * YC( MO2 )\n RXRAT( 265 ) = RKI( 265 ) * YC( HC3P ) * YC( MO2 )\n RXRAT( 266 ) = RKI( 266 ) * YC( HC5P ) * YC( MO2 )\n RXRAT( 267 ) = RKI( 267 ) * YC( ETEP ) * YC( MO2 )\n RXRAT( 268 ) = RKI( 268 ) * YC( OLTP ) * YC( MO2 )\n RXRAT( 269 ) = RKI( 269 ) * YC( OLIP ) * YC( MO2 )\n RXRAT( 270 ) = RKI( 270 ) * YC( BENP ) * YC( MO2 )\n RXRAT( 271 ) = RKI( 271 ) * YC( TOLP ) * YC( MO2 )\n RXRAT( 272 ) = RKI( 272 ) * YC( XYLP ) * YC( MO2 )\n RXRAT( 273 ) = RKI( 273 ) * YC( EBZP ) * YC( MO2 )\n RXRAT( 274 ) = RKI( 274 ) * YC( ISOP ) * YC( MO2 )\n RXRAT( 275 ) = RKI( 275 ) * YC( APIP1 ) * YC( MO2 )\n RXRAT( 276 ) = RKI( 276 ) * YC( APIP2 ) * YC( MO2 )\n RXRAT( 277 ) = RKI( 277 ) * YC( APINP1 ) * YC( MO2 )\n RXRAT( 278 ) = RKI( 278 ) * YC( APINP2 ) * YC( MO2 )\n RXRAT( 279 ) = RKI( 279 ) * YC( LIMP1 ) * YC( MO2 )\n RXRAT( 280 ) = RKI( 280 ) * YC( LIMP2 ) * YC( MO2 )\n RXRAT( 281 ) = RKI( 281 ) * YC( LIMNP1 ) * YC( MO2 )\n RXRAT( 282 ) = RKI( 282 ) * YC( LIMNP2 ) * YC( MO2 )\n RXRAT( 283 ) = RKI( 283 ) * YC( ACO3 ) * YC( MO2 )\n RXRAT( 284 ) = RKI( 284 ) * YC( RCO3 ) * YC( MO2 )\n RXRAT( 285 ) = RKI( 285 ) * YC( ACTP ) * YC( MO2 )\n RXRAT( 286 ) = RKI( 286 ) * YC( MEKP ) * YC( MO2 )\n RXRAT( 287 ) = RKI( 287 ) * YC( KETP ) * YC( MO2 )\n RXRAT( 288 ) = RKI( 288 ) * YC( MACP ) * YC( MO2 )\n RXRAT( 289 ) = RKI( 289 ) * YC( MCP ) * YC( MO2 )\n RXRAT( 290 ) = RKI( 290 ) * YC( MVKP ) * YC( MO2 )\n RXRAT( 291 ) = RKI( 291 ) * YC( UALP ) * YC( MO2 )\n RXRAT( 292 ) = RKI( 292 ) * YC( BALP ) * YC( MO2 )\n RXRAT( 293 ) = RKI( 293 ) * YC( BAL1 ) * YC( MO2 )\n RXRAT( 294 ) = RKI( 294 ) * YC( ADDC ) * YC( MO2 )\n RXRAT( 295 ) = RKI( 295 ) * YC( MCTP ) * YC( MO2 )\n RXRAT( 296 ) = RKI( 296 ) * YC( ORAP ) * YC( MO2 )\n RXRAT( 297 ) = RKI( 297 ) * YC( OLNN ) * YC( MO2 )\n RXRAT( 298 ) = RKI( 298 ) * YC( OLND ) * YC( MO2 )\n RXRAT( 299 ) = RKI( 299 ) * YC( ADCN ) * YC( MO2 )\n RXRAT( 300 ) = RKI( 300 ) * YC( XO2 ) * YC( MO2 )\n RXRAT( 301 ) = RKI( 301 ) * YC( ETHP ) * YC( ACO3 )\n RXRAT( 302 ) = RKI( 302 ) * YC( HC3P ) * YC( ACO3 )\n RXRAT( 303 ) = RKI( 303 ) * YC( HC5P ) * YC( ACO3 )\n RXRAT( 304 ) = RKI( 304 ) * YC( ETEP ) * YC( ACO3 )\n RXRAT( 305 ) = RKI( 305 ) * YC( OLTP ) * YC( ACO3 )\n RXRAT( 306 ) = RKI( 306 ) * YC( OLIP ) * YC( ACO3 )\n RXRAT( 307 ) = RKI( 307 ) * YC( BENP ) * YC( ACO3 )\n RXRAT( 308 ) = RKI( 308 ) * YC( TOLP ) * YC( ACO3 )\n RXRAT( 309 ) = RKI( 309 ) * YC( XYLP ) * YC( ACO3 )\n RXRAT( 310 ) = RKI( 310 ) * YC( EBZP ) * YC( ACO3 )\n RXRAT( 311 ) = RKI( 311 ) * YC( ISOP ) * YC( ACO3 )\n RXRAT( 312 ) = RKI( 312 ) * YC( APIP1 ) * YC( ACO3 )\n RXRAT( 313 ) = RKI( 313 ) * YC( APIP2 ) * YC( ACO3 )\n RXRAT( 314 ) = RKI( 314 ) * YC( APINP1 ) * YC( ACO3 )\n RXRAT( 315 ) = RKI( 315 ) * YC( APINP2 ) * YC( ACO3 )\n RXRAT( 316 ) = RKI( 316 ) * YC( LIMP1 ) * YC( ACO3 )\n RXRAT( 317 ) = RKI( 317 ) * YC( LIMP2 ) * YC( ACO3 )\n RXRAT( 318 ) = RKI( 318 ) * YC( LIMNP1 ) * YC( ACO3 )\n RXRAT( 319 ) = RKI( 319 ) * YC( LIMNP2 ) * YC( ACO3 )\n RXRAT( 320 ) = RKI( 320 ) * YC( ACO3 ) * YC( ACO3 )\n RXRAT( 321 ) = RKI( 321 ) * YC( RCO3 ) * YC( ACO3 )\n RXRAT( 322 ) = RKI( 322 ) * YC( ACTP ) * YC( ACO3 )\n RXRAT( 323 ) = RKI( 323 ) * YC( MEKP ) * YC( ACO3 )\n RXRAT( 324 ) = RKI( 324 ) * YC( KETP ) * YC( ACO3 )\n RXRAT( 325 ) = RKI( 325 ) * YC( MACP ) * YC( ACO3 )\n RXRAT( 326 ) = RKI( 326 ) * YC( MCP ) * YC( ACO3 )\n RXRAT( 327 ) = RKI( 327 ) * YC( MVKP ) * YC( ACO3 )\n RXRAT( 328 ) = RKI( 328 ) * YC( UALP ) * YC( ACO3 )\n RXRAT( 329 ) = RKI( 329 ) * YC( BALP ) * YC( ACO3 )\n RXRAT( 330 ) = RKI( 330 ) * YC( BAL1 ) * YC( ACO3 )\n RXRAT( 331 ) = RKI( 331 ) * YC( ADDC ) * YC( ACO3 )\n RXRAT( 332 ) = RKI( 332 ) * YC( MCTP ) * YC( ACO3 )\n RXRAT( 333 ) = RKI( 333 ) * YC( ORAP ) * YC( ACO3 )\n RXRAT( 334 ) = RKI( 334 ) * YC( OLNN ) * YC( ACO3 )\n RXRAT( 335 ) = RKI( 335 ) * YC( OLND ) * YC( ACO3 )\n RXRAT( 336 ) = RKI( 336 ) * YC( ADCN ) * YC( ACO3 )\n RXRAT( 337 ) = RKI( 337 ) * YC( XO2 ) * YC( ACO3 )\n RXRAT( 338 ) = RKI( 338 ) * YC( RCO3 ) * YC( RCO3 )\n RXRAT( 339 ) = RKI( 339 ) * YC( MO2 ) * YC( NO3 )\n RXRAT( 340 ) = RKI( 340 ) * YC( ETHP ) * YC( NO3 )\n RXRAT( 341 ) = RKI( 341 ) * YC( HC3P ) * YC( NO3 )\n RXRAT( 342 ) = RKI( 342 ) * YC( HC5P ) * YC( NO3 )\n RXRAT( 343 ) = RKI( 343 ) * YC( ETEP ) * YC( NO3 )\n RXRAT( 344 ) = RKI( 344 ) * YC( OLTP ) * YC( NO3 )\n RXRAT( 345 ) = RKI( 345 ) * YC( OLIP ) * YC( NO3 )\n RXRAT( 346 ) = RKI( 346 ) * YC( BENP ) * YC( NO3 )\n RXRAT( 347 ) = RKI( 347 ) * YC( TOLP ) * YC( NO3 )\n RXRAT( 348 ) = RKI( 348 ) * YC( XYLP ) * YC( NO3 )\n RXRAT( 349 ) = RKI( 349 ) * YC( EBZP ) * YC( NO3 )\n RXRAT( 350 ) = RKI( 350 ) * YC( ISOP ) * YC( NO3 )\n RXRAT( 351 ) = RKI( 351 ) * YC( APIP1 ) * YC( NO3 )\n RXRAT( 352 ) = RKI( 352 ) * YC( LIMP1 ) * YC( NO3 )\n RXRAT( 353 ) = RKI( 353 ) * YC( APINP1 ) * YC( NO3 )\n RXRAT( 354 ) = RKI( 354 ) * YC( LIMNP1 ) * YC( NO3 )\n RXRAT( 355 ) = RKI( 355 ) * YC( ACO3 ) * YC( NO3 )\n RXRAT( 356 ) = RKI( 356 ) * YC( RCO3 ) * YC( NO3 )\n RXRAT( 357 ) = RKI( 357 ) * YC( ACTP ) * YC( NO3 )\n RXRAT( 358 ) = RKI( 358 ) * YC( MEKP ) * YC( NO3 )\n RXRAT( 359 ) = RKI( 359 ) * YC( KETP ) * YC( NO3 )\n RXRAT( 360 ) = RKI( 360 ) * YC( MACP ) * YC( NO3 )\n RXRAT( 361 ) = RKI( 361 ) * YC( MCP ) * YC( NO3 )\n RXRAT( 362 ) = RKI( 362 ) * YC( MVKP ) * YC( NO3 )\n RXRAT( 363 ) = RKI( 363 ) * YC( UALP ) * YC( NO3 )\n RXRAT( 364 ) = RKI( 364 ) * YC( BALP ) * YC( NO3 )\n RXRAT( 365 ) = RKI( 365 ) * YC( BAL1 ) * YC( NO3 )\n RXRAT( 366 ) = RKI( 366 ) * YC( ADDC ) * YC( NO3 )\n RXRAT( 367 ) = RKI( 367 ) * YC( MCTP ) * YC( NO3 )\n RXRAT( 368 ) = RKI( 368 ) * YC( ORAP ) * YC( NO3 )\n RXRAT( 369 ) = RKI( 369 ) * YC( OLNN ) * YC( NO3 )\n RXRAT( 370 ) = RKI( 370 ) * YC( OLND ) * YC( NO3 )\n RXRAT( 371 ) = RKI( 371 ) * YC( ADCN ) * YC( NO3 )\n RXRAT( 372 ) = RKI( 372 ) * YC( OLNN ) * YC( OLNN )\n RXRAT( 373 ) = RKI( 373 ) * YC( OLNN ) * YC( OLND )\n RXRAT( 374 ) = RKI( 374 ) * YC( OLND ) * YC( OLND )\n RXRAT( 375 ) = RKI( 375 ) * YC( XO2 ) * YC( NO3 )\n RXRAT( 376 ) = RKI( 376 ) * YC( XO2 ) * YC( RCO3 )\n RXRAT( 377 ) = RKI( 377 ) * YC( XO2 ) * YC( XO2 )\n RXRAT( 378 ) = RKI( 378 ) * YC( APIP2 ) * YC( APIP1 )\n RXRAT( 379 ) = RKI( 379 ) * YC( APIP2 ) * YC( LIMP1 )\n RXRAT( 380 ) = RKI( 380 ) * YC( APIP2 ) * YC( ISOP )\n RXRAT( 381 ) = RKI( 381 ) * YC( LIMP2 ) * YC( APIP1 )\n RXRAT( 382 ) = RKI( 382 ) * YC( LIMP2 ) * YC( LIMP1 )\n RXRAT( 383 ) = RKI( 383 ) * YC( LIMP2 ) * YC( ISOP )\n RXRAT( 384 ) = RKI( 384 ) * YC( APINP2 ) * YC( APIP1 )\n RXRAT( 385 ) = RKI( 385 ) * YC( APINP2 ) * YC( LIMP1 )\n RXRAT( 386 ) = RKI( 386 ) * YC( APINP2 ) * YC( ISOP )\n RXRAT( 387 ) = RKI( 387 ) * YC( LIMNP2 ) * YC( APIP1 )\n RXRAT( 388 ) = RKI( 388 ) * YC( LIMNP2 ) * YC( LIMP1 )\n RXRAT( 389 ) = RKI( 389 ) * YC( LIMNP2 ) * YC( ISOP )\n RXRAT( 390 ) = RKI( 390 ) * YC( IEPOX ) * YC( HO )\n RXRAT( 391 ) = RKI( 391 ) * YC( VROCIOXY ) * YC( HO )\n RXRAT( 392 ) = RKI( 392 ) * YC( SLOWROC ) * YC( HO )\n RXRAT( 393 ) = RKI( 393 ) * YC( ACRO ) * YC( HO )\n RXRAT( 394 ) = RKI( 394 ) * YC( ACRO ) * YC( O3 )\n RXRAT( 395 ) = RKI( 395 ) * YC( ACRO ) * YC( NO3 )\n RXRAT( 396 ) = RKI( 396 ) * YC( ACRO )\n RXRAT( 397 ) = RKI( 397 ) * YC( BDE13 ) * YC( HO )\n RXRAT( 398 ) = RKI( 398 ) * YC( BDE13P ) * YC( NO )\n RXRAT( 399 ) = RKI( 399 ) * YC( BDE13P ) * YC( NO3 )\n RXRAT( 400 ) = RKI( 400 ) * YC( BDE13P ) * YC( HO2 )\n RXRAT( 401 ) = RKI( 401 ) * YC( BDE13P ) * YC( MO2 )\n RXRAT( 402 ) = RKI( 402 ) * YC( BDE13P ) * YC( ACO3 )\n RXRAT( 403 ) = RKI( 403 ) * YC( BDE13 ) * YC( O3 )\n RXRAT( 404 ) = RKI( 404 ) * YC( BDE13 ) * YC( NO3 )\n RXRAT( 405 ) = RKI( 405 ) * YC( FURAN ) * YC( HO )\n RXRAT( 406 ) = RKI( 406 ) * YC( FURANO2 ) * YC( NO )\n RXRAT( 407 ) = RKI( 407 ) * YC( FURANO2 ) * YC( HO2 )\n RXRAT( 408 ) = RKI( 408 ) * YC( FURANONE ) * YC( HO )\n RXRAT( 409 ) = RKI( 409 ) * YC( FURAN ) * YC( O3 )\n RXRAT( 410 ) = RKI( 410 ) * YC( FURAN ) * YC( NO3 )\n RXRAT( 411 ) = RKI( 411 ) * YC( PROG ) * YC( HO )\n RXRAT( 412 ) = RKI( 412 ) * YC( SESQ ) * YC( NO3 )\n RXRAT( 413 ) = RKI( 413 ) * YC( SESQNRO2 ) * YC( HO2 )\n RXRAT( 414 ) = RKI( 414 ) * YC( SESQNRO2 ) * YC( NO )\n RXRAT( 415 ) = RKI( 415 ) * YC( SESQNRO2 ) * YC( NO3 )\n RXRAT( 416 ) = RKI( 416 ) * YC( SESQ ) * YC( O3 )\n RXRAT( 417 ) = RKI( 417 ) * YC( SESQ ) * YC( HO )\n RXRAT( 418 ) = RKI( 418 ) * YC( SESQRO2 ) * YC( HO2 )\n RXRAT( 419 ) = RKI( 419 ) * YC( SESQRO2 ) * YC( NO3 )\n RXRAT( 420 ) = RKI( 420 ) * YC( SESQRO2 ) * YC( NO )\n RXRAT( 421 ) = RKI( 421 ) * YC( GLY )\n RXRAT( 422 ) = RKI( 422 ) * YC( MGLY )\n RXRAT( 423 ) = RKI( 423 ) * YC( N2O5 )\n RXRAT( 424 ) = RKI( 424 ) * YC( NO2 )\n! RXRAT( 425 ) = RKI( 425 ) * YC( HO2 )\n RXRAT( 426 ) = RKI( 426 ) * YC( NO3 )\n! RXRAT( 427 ) = RKI( 427 ) * YC( O3 )\n RXRAT( 428 ) = RKI( 428 ) * YC( IEPOX )\n RXRAT( 429 ) = RKI( 429 ) * YC( IEPOXP )\n RXRAT( 430 ) = RKI( 430 ) * YC( IEPOXP ) * YC( ASO4J )\n RXRAT( 431 ) = RKI( 431 ) * YC( IPX )\n RXRAT( 432 ) = RKI( 432 ) * YC( INALD )\n RXRAT( 433 ) = RKI( 433 ) * YC( VROCP6ALK ) * YC( HO )\n RXRAT( 434 ) = RKI( 434 ) * YC( VROCP5ALK ) * YC( HO )\n RXRAT( 435 ) = RKI( 435 ) * YC( VROCP4ALK ) * YC( HO )\n RXRAT( 436 ) = RKI( 436 ) * YC( VROCP3ALK ) * YC( HO )\n RXRAT( 437 ) = RKI( 437 ) * YC( VROCP2ALK ) * YC( HO )\n RXRAT( 438 ) = RKI( 438 ) * YC( VROCP1ALK ) * YC( HO )\n RXRAT( 439 ) = RKI( 439 ) * YC( HC10 ) * YC( HO )\n RXRAT( 440 ) = RKI( 440 ) * YC( VROCP6ALKP ) * YC( NO )\n RXRAT( 441 ) = RKI( 441 ) * YC( VROCP5ALKP ) * YC( NO )\n RXRAT( 442 ) = RKI( 442 ) * YC( VROCP4ALKP ) * YC( NO )\n RXRAT( 443 ) = RKI( 443 ) * YC( VROCP3ALKP ) * YC( NO )\n RXRAT( 444 ) = RKI( 444 ) * YC( VROCP2ALKP ) * YC( NO )\n RXRAT( 445 ) = RKI( 445 ) * YC( VROCP1ALKP ) * YC( NO )\n RXRAT( 446 ) = RKI( 446 ) * YC( HC10P ) * YC( NO )\n RXRAT( 447 ) = RKI( 447 ) * YC( VROCP6ALKP ) * YC( NO3 )\n RXRAT( 448 ) = RKI( 448 ) * YC( VROCP5ALKP ) * YC( NO3 )\n RXRAT( 449 ) = RKI( 449 ) * YC( VROCP4ALKP ) * YC( NO3 )\n RXRAT( 450 ) = RKI( 450 ) * YC( VROCP3ALKP ) * YC( NO3 )\n RXRAT( 451 ) = RKI( 451 ) * YC( VROCP2ALKP ) * YC( NO3 )\n RXRAT( 452 ) = RKI( 452 ) * YC( VROCP1ALKP ) * YC( NO3 )\n RXRAT( 453 ) = RKI( 453 ) * YC( HC10P ) * YC( NO3 )\n RXRAT( 454 ) = RKI( 454 ) * YC( VROCP6ALKP ) * YC( HO2 )\n RXRAT( 455 ) = RKI( 455 ) * YC( VROCP5ALKP ) * YC( HO2 )\n RXRAT( 456 ) = RKI( 456 ) * YC( VROCP4ALKP ) * YC( HO2 )\n RXRAT( 457 ) = RKI( 457 ) * YC( VROCP3ALKP ) * YC( HO2 )\n RXRAT( 458 ) = RKI( 458 ) * YC( VROCP2ALKP ) * YC( HO2 )\n RXRAT( 459 ) = RKI( 459 ) * YC( VROCP1ALKP ) * YC( HO2 )\n RXRAT( 460 ) = RKI( 460 ) * YC( HC10P ) * YC( HO2 )\n RXRAT( 461 ) = RKI( 461 ) * YC( VROCP6ALKP2 )\n RXRAT( 462 ) = RKI( 462 ) * YC( VROCP5ALKP2 )\n RXRAT( 463 ) = RKI( 463 ) * YC( VROCP4ALKP2 )\n RXRAT( 464 ) = RKI( 464 ) * YC( VROCP3ALKP2 )\n RXRAT( 465 ) = RKI( 465 ) * YC( VROCP2ALKP2 )\n RXRAT( 466 ) = RKI( 466 ) * YC( VROCP1ALKP2 )\n RXRAT( 467 ) = RKI( 467 ) * YC( HC10P2 )\n RXRAT( 468 ) = RKI( 468 ) * YC( VROCP6ALKP2 ) * YC( NO )\n RXRAT( 469 ) = RKI( 469 ) * YC( VROCP5ALKP2 ) * YC( NO )\n RXRAT( 470 ) = RKI( 470 ) * YC( VROCP4ALKP2 ) * YC( NO )\n RXRAT( 471 ) = RKI( 471 ) * YC( VROCP3ALKP2 ) * YC( NO )\n RXRAT( 472 ) = RKI( 472 ) * YC( VROCP2ALKP2 ) * YC( NO )\n RXRAT( 473 ) = RKI( 473 ) * YC( VROCP1ALKP2 ) * YC( NO )\n RXRAT( 474 ) = RKI( 474 ) * YC( HC10P2 ) * YC( NO )\n RXRAT( 475 ) = RKI( 475 ) * YC( VROCP6ALKP2 ) * YC( NO3 )\n RXRAT( 476 ) = RKI( 476 ) * YC( VROCP5ALKP2 ) * YC( NO3 )\n RXRAT( 477 ) = RKI( 477 ) * YC( VROCP4ALKP2 ) * YC( NO3 )\n RXRAT( 478 ) = RKI( 478 ) * YC( VROCP3ALKP2 ) * YC( NO3 )\n RXRAT( 479 ) = RKI( 479 ) * YC( VROCP2ALKP2 ) * YC( NO3 )\n RXRAT( 480 ) = RKI( 480 ) * YC( VROCP1ALKP2 ) * YC( NO3 )\n RXRAT( 481 ) = RKI( 481 ) * YC( HC10P2 ) * YC( NO3 )\n RXRAT( 482 ) = RKI( 482 ) * YC( VROCP6ALKP2 ) * YC( HO2 )\n RXRAT( 483 ) = RKI( 483 ) * YC( VROCP5ALKP2 ) * YC( HO2 )\n RXRAT( 484 ) = RKI( 484 ) * YC( VROCP4ALKP2 ) * YC( HO2 )\n RXRAT( 485 ) = RKI( 485 ) * YC( VROCP3ALKP2 ) * YC( HO2 )\n RXRAT( 486 ) = RKI( 486 ) * YC( VROCP2ALKP2 ) * YC( HO2 )\n RXRAT( 487 ) = RKI( 487 ) * YC( VROCP1ALKP2 ) * YC( HO2 )\n RXRAT( 488 ) = RKI( 488 ) * YC( HC10P2 ) * YC( HO2 )\n RXRAT( 489 ) = RKI( 489 ) * YC( VROCP6ARO ) * YC( HO )\n RXRAT( 490 ) = RKI( 490 ) * YC( VROCP6AROP ) * YC( HO2 )\n RXRAT( 491 ) = RKI( 491 ) * YC( VROCP6AROP ) * YC( NO )\n RXRAT( 492 ) = RKI( 492 ) * YC( VROCP6AROP ) * YC( NO3 )\n RXRAT( 493 ) = RKI( 493 ) * YC( VROCP6AROP ) * YC( MO2 )\n RXRAT( 494 ) = RKI( 494 ) * YC( VROCP6AROP ) * YC( ACO3 )\n RXRAT( 495 ) = RKI( 495 ) * YC( VROCP5ARO ) * YC( HO )\n RXRAT( 496 ) = RKI( 496 ) * YC( VROCP5AROP ) * YC( HO2 )\n RXRAT( 497 ) = RKI( 497 ) * YC( VROCP5AROP ) * YC( NO )\n RXRAT( 498 ) = RKI( 498 ) * YC( VROCP5AROP ) * YC( NO3 )\n RXRAT( 499 ) = RKI( 499 ) * YC( VROCP5AROP ) * YC( MO2 )\n RXRAT( 500 ) = RKI( 500 ) * YC( VROCP5AROP ) * YC( ACO3 )\n RXRAT( 501 ) = RKI( 501 ) * YC( NAPH ) * YC( HO )\n RXRAT( 502 ) = RKI( 502 ) * YC( NAPHP ) * YC( HO2 )\n RXRAT( 503 ) = RKI( 503 ) * YC( NAPHP ) * YC( NO )\n RXRAT( 504 ) = RKI( 504 ) * YC( NAPHP ) * YC( NO3 )\n RXRAT( 505 ) = RKI( 505 ) * YC( NAPHP ) * YC( MO2 )\n RXRAT( 506 ) = RKI( 506 ) * YC( NAPHP ) * YC( ACO3 )\n RXRAT( 507 ) = RKI( 507 ) * YC( VROCN2OXY8 ) * YC( HO )\n RXRAT( 508 ) = RKI( 508 ) * YC( VROCN2OXY4 ) * YC( HO )\n RXRAT( 509 ) = RKI( 509 ) * YC( VROCN2OXY2 ) * YC( HO )\n RXRAT( 510 ) = RKI( 510 ) * YC( VROCN1OXY6 ) * YC( HO )\n RXRAT( 511 ) = RKI( 511 ) * YC( VROCN1OXY3 ) * YC( HO )\n RXRAT( 512 ) = RKI( 512 ) * YC( VROCN1OXY1 ) * YC( HO )\n RXRAT( 513 ) = RKI( 513 ) * YC( VROCP0OXY4 ) * YC( HO )\n RXRAT( 514 ) = RKI( 514 ) * YC( VROCP0OXY2 ) * YC( HO )\n RXRAT( 515 ) = RKI( 515 ) * YC( VROCP1OXY3 ) * YC( HO )\n RXRAT( 516 ) = RKI( 516 ) * YC( VROCP1OXY1 ) * YC( HO )\n RXRAT( 517 ) = RKI( 517 ) * YC( VROCP2OXY2 ) * YC( HO )\n RXRAT( 518 ) = RKI( 518 ) * YC( VROCP3OXY2 ) * YC( HO )\n RXRAT( 519 ) = RKI( 519 ) * YC( VROCP4OXY2 ) * YC( HO )\n RXRAT( 520 ) = RKI( 520 ) * YC( VROCP5OXY1 ) * YC( HO )\n RXRAT( 521 ) = RKI( 521 ) * YC( VROCP6OXY1 ) * YC( HO )\n RXRAT( 522 ) = RKI( 522 ) * YC( OP3 ) * YC( HO )\n RXRAT( 523 ) = RKI( 523 ) * YC( ECH4 ) * YC( HO )\n RXRAT( 524 ) = RKI( 524 ) * YC( ATRPNJ )\n RXRAT( 525 ) = RKI( 525 ) * YC( AHONITJ )\n RXRAT( 526 ) = RKI( 526 ) * YC( STY ) * YC( HO )\n RXRAT( 527 ) = RKI( 527 ) * YC( STYP ) * YC( HO2 )\n RXRAT( 528 ) = RKI( 528 ) * YC( STYP ) * YC( NO )\n RXRAT( 529 ) = RKI( 529 ) * YC( STYP ) * YC( NO3 )\n RXRAT( 530 ) = RKI( 530 ) * YC( STYP ) * YC( MO2 )\n RXRAT( 531 ) = RKI( 531 ) * YC( STYP ) * YC( ACO3 )\n\n\n RETURN\n\n END\n" }, { "path": "CCTM/src/gas/ebi_cracmm2/hrsolver.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\n SUBROUTINE HRSOLVER( JDATE, JTIME, C, R, L )\n\n\nC**********************************************************************\nC\nC FUNCTION: EBI solver\nC\nC PRECONDITIONS: For the CRACMM2 mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: HRRATES, HRG1, HRG2, HRG3\nC HRG4, HRPRODLOSS\nC DEGRADE\nC\nC REVISION HISTORY: Created by EBI solver program, Mar 15, 2024\nC 21 Jun 10 J.Young: convert for Namelist redesign\nC 18 Jul 14 B.Hutzell: revised 1) to use the RXNS_DATA and RXNS_FUNCTION\nC modules instead of include files and 2) to use\nC real(8) variables\nC**********************************************************************\n\n USE RUNTIME_VARS\n USE UTILIO_DEFN\n USE RXNS_DATA\n USE HRDATA\n USE PA_IRR_MODULE\n#ifdef isam\n USE SA_IRR_DEFN\n#endif\n#ifdef sens\n USE DDM3D_CHEM, ONLY: YCDDM\n USE CGRID_SPCS, ONLY: GC_SPC\n#endif\n USE DEGRADE_ROUTINES, ONLY : DEGRADE, SA_DEGRADE_STEP\n\n\n IMPLICIT NONE\n\nC..INCLUDES:\n\n\nC..ARGUMENTS:\n INTEGER, INTENT( IN ) :: JDATE ! Current date (YYYYDDD)\n INTEGER, INTENT( IN ) :: JTIME ! Current time (HHMMSS)\n INTEGER, INTENT( IN ) :: C, R, L ! Cell col, row, lev\n\nC..PARAMETERS:\n INTEGER, PARAMETER :: MXBKUPS = 5 ! Max no. of back-ups allowed\n INTEGER, PARAMETER :: STAT = 1 ! Status code\n\n REAL( 8 ), PARAMETER :: DTMIN = 1.0D-08 ! Smallest time step allowed, min\n REAL( 8 ), PARAMETER :: EPSLON = 1.0D-30 ! Small number\n REAL( 8 ), PARAMETER :: MAXPRED = 1.0D+03 ! Upper limit on predicted conc\n REAL( 8 ), PARAMETER :: ZERO = 1.0D-40 ! effective zero\n REAL( 8 ), PARAMETER :: FLOOR = 1.0D-08 ! Min conc for RTOL\n\nC..EXTERNAL FUNCTIONS:\n\n\nC..SAVED LOCAL VARIABLES:\n CHARACTER( 16 ), SAVE :: PNAME = 'HRSOLVER' ! Program name\n LOGICAL, SAVE :: LFIRST = .TRUE. ! Flag for first call\n LOGICAL, ALLOCATABLE, SAVE :: LEBISPFL( : ) ! Convergence Error Flag for EBI species\n LOGICAL, ALLOCATABLE, SAVE :: MAXCONC ( : ) ! MAXCONC ERROR Flag for EBI species\n LOGICAL, ALLOCATABLE, SAVE :: NOTMAX ( : ) ! Initial concentration not greater than MAXPRED\n\n REAL( 8 ), ALLOCATABLE, SAVE :: RERROR ( : ) ! Relative Error\n REAL( 8 ), ALLOCATABLE, SAVE :: AERROR ( : ) ! Absolute Error\n\n\nC..SCRATCH LOCAL VARIABLES:\n\n CHARACTER( 132 ) :: MSG ! Message text\n\n INTEGER CELLNO ! Cell no. fo debug output\n INTEGER ITER ! Loop index for Backward Euler iterations\n INTEGER S ! Loop index for species\n INTEGER SP ! Imbedded loop index for species\n INTEGER NEBI ! Loop index for time steps\n INTEGER NINR ! No. of inner time steps\n#ifdef hrdebug\n INTEGER N ! Loop index\n#endif\n INTEGER M ! species index\n INTEGER EBI ! Loop index\n INTEGER NBKUPS ! No. of times time step reduced\n INTEGER ERR ! Allocate error flag\n\n\n LOGICAL LEBI_CONV ! Flag for EBI convergence\n LOGICAL MXFL ! hit MAXPRED flag\n\n REAL( 8 ) DTC ! Time step to take\n REAL( 8 ) DTG ! Time step in degrade routines, sec\n REAL( 8 ) FXDLOSS ! Total loss due to negative stoichiometry\n REAL( 8 ) VARLOSS ! Loss excluding negative stoichiometry\n\n\n#ifdef hrdebug\n CHARACTER( 8 ) :: NOTE ! Convergence fail note\n\n INTEGER COL ! Column to generate deboug output for\n INTEGER ROW ! Row to generate deboug output for\n INTEGER LEV ! Level to generate deboug output for\n INTEGER DBGOUT ! Output unit for debu outpt\n\n LOGICAL LDEBUG ! Debug output flag\n LOGICAL, SAVE :: LOPEN = .FALSE.\n#endif\n\n\nC**********************************************************************\n\n\n IF( LFIRST ) THEN\n LFIRST = .FALSE.\n\n ALLOCATE ( LEBISPFL( NUMB_MECH_SPC ), STAT = ERR )\n IF ( ERR .NE. 0 ) THEN\n MSG = 'Error allocating LEBISPFL'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n END IF\n\n ALLOCATE ( MAXCONC( NUMB_MECH_SPC ), STAT = ERR )\n IF ( ERR .NE. 0 ) THEN\n MSG = 'Error allocating MAXCONC'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n END IF\n\n ALLOCATE ( NOTMAX( NUMB_MECH_SPC ), STAT = ERR )\n IF ( ERR .NE. 0 ) THEN\n MSG = 'Error allocating NOTMAX'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n END IF\n\n ALLOCATE ( RERROR( NUMB_MECH_SPC ), STAT = ERR )\n IF ( ERR .NE. 0 ) THEN\n MSG = 'Error allocating ERROR'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n END IF\n\n ALLOCATE ( AERROR( NUMB_MECH_SPC ), STAT = ERR )\n IF ( ERR .NE. 0 ) THEN\n MSG = 'Error allocating AERROR'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n END IF\n\n END IF\n\n#ifdef sens\n YCDDM = 0.0D0\n#endif\n\nc++++++++++++++++++++++++Debug section++++++++++++++++++++++++++++++++++\n#ifdef hrdebug\n COL = 0\n ROW = 0\n LEV = 0\n IF( C .EQ. COL .AND. R .EQ. ROW .AND. L .EQ. LEV ) THEN\nc IF( JTIME .EQ. 160000 ) THEN\n LDEBUG = .TRUE.\n ELSE\n LDEBUG = .FALSE.\n END IF\n\n IF( LDEBUG ) THEN\n IF( .NOT. LOPEN ) THEN\n DBGOUT = JUNIT()\n OPEN( UNIT = DBGOUT, FILE = 'debug.out' )\n LOPEN = .TRUE.\n END IF\n\n WRITE( DBGOUT, '( A, 2I4, I3, 1X, I7, 1X, I6 ) ' )\n & 'Debug output for col/row/lev/date/time:',\n & C, R, L, JDATE, JTIME\n WRITE( DBGOUT, '( A, F7.2) ' )\n & 'EBI_TMSTEP = ', EBI_TMSTEP\n WRITE( DBGOUT, '( A )' ) 'Starting concs and rate constants'\n DO N = 1, NUMB_MECH_SPC\n WRITE( DBGOUT, '( A, I3, 1X, A, 1X, 1PD13.5 )' )\n & 'SP ',N, CHEMISTRY_SPC( N ), YC( N )\n END DO\n DO N = 1, N_RXNS\n WRITE( DBGOUT, '( A, I3, 1X, 1PD13.5 )' )\n & 'RKI ', N, RKI( N )\n END DO\n END IF\n#endif\nc++++++++++++++++++++++++Debug section++++++++++++++++++++++++++++++++++\n\n\n\n DTC = EBI_TMSTEP\n\n N_EBI_IT = 0\n NBKUPS = 0\n N_INR_STEPS = 1\n NEBI = 1\n LEBI_CONV = .TRUE.\n#ifdef isam\n UPDATE_SOLD = .FALSE.\n UPDATE_PROBABILITIES = .TRUE.\n CALL SA_IRR_UNBLOCKED ( .TRUE., RKI, YC, DTC )\n#endif\n\n\n DO S = 1, NUMB_MECH_SPC\n IF( YC( S ) .LE. MAXPRED )THEN\n NOTMAX( S ) = .TRUE.\n ELSE\n NOTMAX( S ) = .FALSE.\n WRITE(LOGDEV,91000)C, R, L, CHEMISTRY_SPC(S), YC(S)\n END IF\n END DO\n\n! Initial PA_IRR\n IF( CALL_IRR ) CALL PA_IRR ( .TRUE., RKI, YC, DTC )\n SA_DEGRADE_STEP = 0\n TSTEP_EBI: DO ! EBI time-step loop\n\n SUBSTEP_EBI: DO NINR = 1, N_INR_STEPS ! time substeps loop\n! first attempt is sub time-step equals EBI time-step\n\n IF( LEBI_CONV ) YC0 = YC ! Set ICs for EBI iterations\n\n ITER_SUBSTEP: DO ITER = 1, NEBITER ! iteration loop solving for sub time-step\n\n\n N_EBI_IT = N_EBI_IT + 1\n CALL HRRATES\n\nc++++++++++++++++++++++++Debug section++++++++++++++++++++++++++++++++++\n#ifdef hrdebug\n IF( LDEBUG ) THEN\n WRITE( DBGOUT, '( A, I5 )' ) 'ITER NO ', ITER\n WRITE( DBGOUT, '( A, F12.5 )' )\n & ' DTC=', DTC\n\n IF( ITER .EQ. 1 ) THEN\n WRITE( DBGOUT, '( A )' ) 'Starting reaction rates'\n DO N = 1, N_RXNS\n WRITE( DBGOUT, '( A, I3, 1X, 1PD13.5 )' )\n & 'RXRAT ', N, RXRAT( NCELL, N )\n END DO\n END IF\n END IF\n#endif\nc++++++++++++++++++++++++Debug section++++++++++++++++++++++++++++++++++\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Call routines to compute concentrations of groups 1-4\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n CALL HRG1( DTC )\n\n CALL HRG2( DTC )\n\n CALL HRG3( DTC )\n\n CALL HRG4( DTC )\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Do the Euler backward method\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n CALL HRPRODLOSS\n\n DO EBI = 1, N_EBISP\n S = EBISP( EBI )\n YCP( S ) = YC( S )*( ( YC0( S ) + PROD( S ) * DTC )\n & / ( YC( S ) + LOSS( S ) * DTC ) )\n END DO\n\n\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Check for convergence\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n LEBI_CONV = .TRUE.\n MXFL = .FALSE.\n\n DO S = 1, NUMB_MECH_SPC\n LEBISPFL( S ) = .FALSE.\n YCP( S ) = MAX( ZERO, YCP( S ) )\n AERROR( S ) = MAX( ABS( YC(S)-YCP(S) ), EPSLON )\n RERROR( S ) = AERROR( S ) / MAX( FLOOR, ABS( YC(S)+YCP(S) ) )\n IF( RERROR( S ) .GT. RTOL(S) .OR. AERROR( S ) .GT. 1.0D-5 )THEN\n LEBI_CONV = .FALSE.\n LEBISPFL( S ) = .TRUE.\n END IF\nc..test if predictions growing too large\n IF( YCP( S ) .GT. MAXPRED .AND. NOTMAX( S ) ) THEN\n MXFL = .TRUE.\n LEBI_CONV = .FALSE.\n LEBISPFL( S ) = .TRUE.\n END IF\n YC( S ) = YCP( S )\n END DO\nc..test if predictions growing too large, abort interation loop\n IF( MXFL ) EXIT ITER_SUBSTEP\n\nc++++++++++++++++++++++++Debug section++++++++++++++++++++++++++++++++++\n#ifdef hrdebug\n IF( LDEBUG ) THEN\n WRITE( DBGOUT, '( A, I5 )' ) 'Concs after ITER= ', ITER\n DO S = 1, NUMB_MECH_SPC\n\n IF( LEBISPFL( S ) ) THEN\n NOTE = 'CONV FAIL'\n ELSE\n NOTE = ' '\n END IF\n\n WRITE( DBGOUT, '( I3, 1X, A, 1PD13.5, 1X, A )' )\n & S, CHEMISTRY_SPC( S ), YC( S ), NOTE\n END DO\n IF( LEBI_CONV ) WRITE( DBGOUT, '( A )' )\n & '****Convergence achieved'\n END IF\n#endif\nc++++++++++++++++++++++++Debug section++++++++++++++++++++++++++++++++++\n\n IF( LEBI_CONV ) THEN\n\n DTG = 60.0D0 * DTC\n DO S = 1, NUMB_MECH_SPC\n M = CGRID_INDEX( S )\n YCCELL( M ) = YC( S )\n END DO\n#if defined(isam) || defined(verbose_isam)\n SA_DEGRADE_STEP = SA_DEGRADE_STEP + 1\n#endif\n IF( CALL_DEG )CALL DEGRADE(YCCELL, DTG, JDATE, JTIME) ! :WTH Call degradation routine\n\n IF( CALL_IRR ) CALL PA_IRR ( .FALSE., RKI, YC, DTC )\n#ifdef isam\n IF( NEBI .EQ. N_EBI_STEPS )UPDATE_SOLD = .TRUE.\n CALL SA_IRR_UNBLOCKED ( .FALSE., RKI, YC, DTC )\n UPDATE_PROBABILITIES = .FALSE.\n#endif\n\n#ifdef sens\nC Update the sum for the average over the chemistry integration\n YCDDM = YCDDM\n & + ( ( 0.5D0 * DTC ) * ( YC + YC0 ) )\n#endif\n\n CYCLE SUBSTEP_EBI ! solve for next sub time-step\n\n END IF\n\n END DO ITER_SUBSTEP\n! interating for substep failed, attempt to increase number of sub time-steps\n NBKUPS = NBKUPS + 1\n\n! IF( NBKUPS .LE. MXBKUPS ) THEN\n IF ( DTC .GT. DTMIN ) THEN\n! reset YC and cut sub time-step in half\n IF ( MXFL ) THEN\n WRITE( LOGDEV, 92008 ) NBKUPS\n WRITE( LOGDEV, 92009 ) C+PECOL_OFFSET, R+PEROW_OFFSET, L\n DO S = 1, NUMB_MECH_SPC\n IF( LEBISPFL( S ) )WRITE( LOGDEV, 92010 )TRIM( CHEMISTRY_SPC( S ) ),\n & YC0(S), YCP(S)\n END DO\n ELSE\n WRITE( LOGDEV, 92000 ) C+PECOL_OFFSET, R+PEROW_OFFSET, L, NBKUPS\n DO S = 1, NUMB_MECH_SPC\n IF( LEBISPFL( S ) )WRITE( LOGDEV, 92010 )TRIM( CHEMISTRY_SPC( S ) ),\n & YC0(S), YCP(S)\n END DO\n END IF\n\n YC = YC0 ! Set ICs for EBI time-step\n\n DTC = 0.5D0 * DTC\n\n N_INR_STEPS = 2 ** NBKUPS\n\n EXIT SUBSTEP_EBI\n\n ELSE\n\n WRITE( LOGDEV, 92040 ) C+PECOL_OFFSET, R+PEROW_OFFSET, L\n\n WRITE( LOGDEV, 92060 )\n DO S = 1, NUMB_MECH_SPC\n IF( LEBISPFL( S ) ) WRITE( LOGDEV, 92080 ) CHEMISTRY_SPC( S ),\n & YC0(S), YCP(S)\n END DO\n\n MSG = 'ERROR: Stopping because of EBI convergence failures'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT2 )\n\n END IF\n\n END DO SUBSTEP_EBI\n\n IF( LEBI_CONV )THEN\n NEBI = 1 + NEBI\n! test for completing final EBI time-step\n IF( NEBI .GT. N_EBI_STEPS )EXIT TSTEP_EBI\n! test whether backups were done\n IF( NBKUPS .EQ. 0 )CYCLE TSTEP_EBI\n! Reset NBKUPS, N_INR_STEPS and sub-time step\n NBKUPS = 0\n N_INR_STEPS = 1\n DTC = EBI_TMSTEP\n END IF\n\n END DO TSTEP_EBI\n\n#ifdef sens\n! Compute average over integration and filter values\n YCDDM = YCDDM / CHEMSTEP\n WHERE ( YCDDM .LT. 1.0D-25 ) YCDDM = 0.0D0\n#endif\n\n\n RETURN\n\n\n91000 FORMAT( 'WARNING: EBI solver in cell (',2(I4,','),I4,') Init.Conc. for ',\n & A16, ' = ', ES12.4,' ppmV')\n\n92000 FORMAT( 'WARNING: EBI Euler convergence failure' /\n & ' Reducing EBI time step because of ',\n & ' convergence failure in ' /\n & ' Cell (', I3, ', ', I3, ', ', I3, ')' ,\n & ' Solution Attempt #', I2 /\n & ' Below Species Causing Error: Init.Conc, Pred.Conc.' )\n\n92008 FORMAT( 'WARNING: At solution attempt #', I2 )\n92009 FORMAT( 'WARNING: EBI Euler convergence failure' /\n & ' Reducing EBI time step because of ',\n & ' MAXPRED failure in ' /\n & ' Cell (', I3, ', ', I3, ', ', I3, ')' ,\n & ' for the below species: : Init.Conc, Pred.Conc.')\n92010 FORMAT( A16, 2(1X,ES12.4), ' ppmV' )\n\n92040 FORMAT( 'ERROR: Max number of EBI time step reductions exceeded'\n & / ' Convergence failure for cell (', I3, ', ', I3,\n & ', ', I3, ')' )\n\n92060 FORMAT( ' Convergence failure for the following species:',\n & 'Init.Conc, Pred.Conc.' )\n\n92080 FORMAT( 10X, A, 2(1X,ES12.4), ' ppmV ' )\n\n92061 FORMAT( ' Convergence failure for the following species:',\n & 'Init.Conc, Pred.Conc.,Rel.Error,' )\n\n92081 FORMAT( 10X, A, 2(1X,ES12.4), ' ppmV ', ES12.4,'%' )\n\n END\n" }, { "path": "CCTM/src/gas/ebi_racm2_ae6_aq/hrdata_mod.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n MODULE HRDATA\n\nC*************************************************************************\nC\nC FUNCTION: Mechanism & solver data for EBI solver\nC\nC PRECONDITIONS: For the RACM2_AE6_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 8, 2022\nC\nC 18 Jul 14 B.Hutzell: revised to use real(8) variables for solution\nC*************************************************************************\n\nc..EBI solver fixed parameters\n INTEGER, PARAMETER :: NEBITER = 1000 ! No. of iterations for EBI\n INTEGER, PARAMETER :: MAX_CELLS_EBI = 1 ! max # cells in local conc arrays\n REAL( 8 ), PARAMETER :: DELTAT = 2.500D+00 ! EBI time step (min)\n\nc..Mechanism specific variables\n INTEGER N_SPEC ! No. of species in mechanism\n INTEGER N_RXNS ! No. of reactions in mechanism\n INTEGER N_EBISP ! No. of species solved by EBI\n INTEGER NING1 ! No. of species in group 1\n INTEGER NING2 ! No. of species in group 2\n INTEGER N_SPCL_RKS ! No. of special rate constants\n INTEGER N_ACTSP ! No. of species in mechanism (non-ss spec)\n INTEGER NCELL ! cell number in EBI Block\n\nc..Control flags\n LOGICAL L_AE_VRSN ! Flag for aerosol version of mech\n LOGICAL L_AQ_VRSN ! Flag for aqueous chemistry version of mech\n LOGICAL CALL_IRR ! Flag initializing for IRR and calling PA_IRR\n\n ! SWITCH for calling DEGRADE routine\n LOGICAL, SAVE :: CALL_DEG = .TRUE.\n\nc..Miscellaneous variables\n INTEGER N_EBI_IT ! No. of iterations for EBI\n INTEGER N_EBI_STEPS ! No. of time steps for EBI\n INTEGER N_INR_STEPS ! No. of inner time steps for EBI\n INTEGER PECOL_OFFSET ! Local Column Offset for processor\n INTEGER PEROW_OFFSET ! Local Column Offset for processor\n \n INTEGER, SAVE :: MODEL_SPECIES ! No. of species in CGRID\n\n REAL( 8 ) EBI_TMSTEP ! Time step for EBI loops (min)\n REAL( 8 ) CHEMSTEP ! Chemistry integration interval (min)\n\nc...Allocatable arrays\n INTEGER, ALLOCATABLE :: EBISP( : ) ! Index of EBI species\n INTEGER, ALLOCATABLE :: SSASP( : ) ! Index of ss species\n INTEGER, ALLOCATABLE :: ACTSP( : ) ! Index of active species\n INTEGER, ALLOCATABLE :: IOLD2NEW( :,: ) ! YC species map, used if NSPECIAL > 0\n\n REAL( 8 ), ALLOCATABLE :: RKI( : ) ! Rate constants\n REAL( 8 ), ALLOCATABLE :: RKI_SAV( :, : ) ! Saved values of RKI for SS species calcs\n\n REAL( 8 ), ALLOCATABLE :: YC ( : ) ! Species concentrations\n REAL( 8 ), ALLOCATABLE :: YC0( : ) ! Species concentrations\n REAL( 8 ), ALLOCATABLE :: YCP( : ) ! Species concentrations\n REAL( 8 ), ALLOCATABLE :: SYC( :, : ) ! Species concentrations\n\n REAL, ALLOCATABLE :: FORWARD_CONV( : ) ! CGRID to CHEM Species conversion factor\n REAL, ALLOCATABLE :: REVERSE_CONV( : ) ! CHEM to CGRID Species conversion factor\n\n REAL( 8 ), ALLOCATABLE :: RXRAT( : ) ! Reaction rates\n REAL( 8 ), ALLOCATABLE :: RTOL( : ) ! Species tolerances\n REAL( 8 ), ALLOCATABLE :: YCCELL( : ) ! ALL Species in cgrid\n REAL( 8 ), ALLOCATABLE :: PROD( : ) ! Prod of species\n REAL( 8 ), ALLOCATABLE :: LOSS( : ) ! Loss of species\n\n REAL, ALLOCATABLE :: PRES( :, :, : ) ! pressure (Pa)\n REAL, ALLOCATABLE :: QV ( :, :, : ) ! water vapor (Kg/Kg air)\n REAL, ALLOCATABLE :: TA ( :, :, : ) ! temperature (K)\n\n REAL, ALLOCATABLE :: SEAICE ( :, :) ! fractional seaice cover, [-]\n REAL, ALLOCATABLE :: DENS( :, :, : ) ! mass density (Kg/m^3)\n\n REAL, ALLOCATABLE :: SEAWATER_ZONE ( :,: ) ! fractional area of OPEN+SURF\n LOGICAL, ALLOCATABLE :: LFLAGIRR ( :,:,: ) ! Conduct IRR for cell\n\n REAL( 8 ), ALLOCATABLE :: ATMPRES ( : ) ! Cell pressure, Atm\n! REAL( 8 ), ALLOCATABLE :: PRESCELL( : ) ! Cell pressure, Pa\n REAL( 8 ), ALLOCATABLE :: H2O ( : ) ! Cell H2O mixing ratio (ppmV)\n REAL( 8 ), ALLOCATABLE :: TEMP ( : ) ! Cell Temperature\n REAL( 8 ), ALLOCATABLE :: DENSITY ( : ) ! Cell mass density (Kg/m3)\n REAL( 8 ), ALLOCATABLE :: HET ( :, : ) ! cell heterogeneous reaction rates\n REAL( 8 ), ALLOCATABLE :: RJIN ( :, : ) ! J-values for a cell\n REAL( 8 ), ALLOCATABLE :: SEAWATER ( : ) ! fractional area of OPEN+SURF for specific cell\n\nc..Species indices\n INTEGER, PARAMETER :: O3 = 1\n INTEGER, PARAMETER :: O3P = 2\n INTEGER, PARAMETER :: O1D = 3\n INTEGER, PARAMETER :: H2O2 = 4\n INTEGER, PARAMETER :: HO = 5\n INTEGER, PARAMETER :: NO2 = 6\n INTEGER, PARAMETER :: NO = 7\n INTEGER, PARAMETER :: NO3 = 8\n INTEGER, PARAMETER :: HONO = 9\n INTEGER, PARAMETER :: HNO3 = 10\n INTEGER, PARAMETER :: HNO4 = 11\n INTEGER, PARAMETER :: HO2 = 12\n INTEGER, PARAMETER :: HCHO = 13\n INTEGER, PARAMETER :: CO = 14\n INTEGER, PARAMETER :: ACD = 15\n INTEGER, PARAMETER :: MO2 = 16\n INTEGER, PARAMETER :: ALD = 17\n INTEGER, PARAMETER :: ETHP = 18\n INTEGER, PARAMETER :: ACT = 19\n INTEGER, PARAMETER :: ACO3 = 20\n INTEGER, PARAMETER :: UALD = 21\n INTEGER, PARAMETER :: KET = 22\n INTEGER, PARAMETER :: MEK = 23\n INTEGER, PARAMETER :: HKET = 24\n INTEGER, PARAMETER :: MACR = 25\n INTEGER, PARAMETER :: MACP = 26\n INTEGER, PARAMETER :: XO2 = 27\n INTEGER, PARAMETER :: MVK = 28\n INTEGER, PARAMETER :: GLY = 29\n INTEGER, PARAMETER :: MGLY = 30\n INTEGER, PARAMETER :: DCB1 = 31\n INTEGER, PARAMETER :: DCB2 = 32\n INTEGER, PARAMETER :: BALD = 33\n INTEGER, PARAMETER :: CHO = 34\n INTEGER, PARAMETER :: OP1 = 35\n INTEGER, PARAMETER :: OP2 = 36\n INTEGER, PARAMETER :: PAA = 37\n INTEGER, PARAMETER :: ONIT = 38\n INTEGER, PARAMETER :: PAN = 39\n INTEGER, PARAMETER :: N2O5 = 40\n INTEGER, PARAMETER :: SO2 = 41\n INTEGER, PARAMETER :: SULF = 42\n INTEGER, PARAMETER :: SULRXN = 43\n INTEGER, PARAMETER :: ETH = 44\n INTEGER, PARAMETER :: HC3 = 45\n INTEGER, PARAMETER :: HC3P = 46\n INTEGER, PARAMETER :: HC5 = 47\n INTEGER, PARAMETER :: HC5P = 48\n INTEGER, PARAMETER :: HC8 = 49\n INTEGER, PARAMETER :: HC8P = 50\n INTEGER, PARAMETER :: ETE = 51\n INTEGER, PARAMETER :: ETEP = 52\n INTEGER, PARAMETER :: OLT = 53\n INTEGER, PARAMETER :: OLTP = 54\n INTEGER, PARAMETER :: OLI = 55\n INTEGER, PARAMETER :: OLIP = 56\n INTEGER, PARAMETER :: DIEN = 57\n INTEGER, PARAMETER :: ACE = 58\n INTEGER, PARAMETER :: ORA1 = 59\n INTEGER, PARAMETER :: BENZENE = 60\n INTEGER, PARAMETER :: BENP = 61\n INTEGER, PARAMETER :: EPX = 62\n INTEGER, PARAMETER :: PHEN = 63\n INTEGER, PARAMETER :: BENZRO2 = 64\n INTEGER, PARAMETER :: TOL = 65\n INTEGER, PARAMETER :: TR2 = 66\n INTEGER, PARAMETER :: TLP1 = 67\n INTEGER, PARAMETER :: CSL = 68\n INTEGER, PARAMETER :: TOLRO2 = 69\n INTEGER, PARAMETER :: XYM = 70\n INTEGER, PARAMETER :: XY2 = 71\n INTEGER, PARAMETER :: XYL1 = 72\n INTEGER, PARAMETER :: XYLRO2 = 73\n INTEGER, PARAMETER :: XYP = 74\n INTEGER, PARAMETER :: XYO = 75\n INTEGER, PARAMETER :: XYO2 = 76\n INTEGER, PARAMETER :: ISO = 77\n INTEGER, PARAMETER :: ISOP = 78\n INTEGER, PARAMETER :: ISOPRXN = 79\n INTEGER, PARAMETER :: API = 80\n INTEGER, PARAMETER :: APIP = 81\n INTEGER, PARAMETER :: TRPRXN = 82\n INTEGER, PARAMETER :: LIM = 83\n INTEGER, PARAMETER :: LIMP = 84\n INTEGER, PARAMETER :: RCO3 = 85\n INTEGER, PARAMETER :: ACTP = 86\n INTEGER, PARAMETER :: MEKP = 87\n INTEGER, PARAMETER :: KETP = 88\n INTEGER, PARAMETER :: MCP = 89\n INTEGER, PARAMETER :: MVKP = 90\n INTEGER, PARAMETER :: UALP = 91\n INTEGER, PARAMETER :: DCB3 = 92\n INTEGER, PARAMETER :: BALP = 93\n INTEGER, PARAMETER :: ADDC = 94\n INTEGER, PARAMETER :: MCT = 95\n INTEGER, PARAMETER :: MCTO = 96\n INTEGER, PARAMETER :: MOH = 97\n INTEGER, PARAMETER :: EOH = 98\n INTEGER, PARAMETER :: ROH = 99\n INTEGER, PARAMETER :: ETEG = 100\n INTEGER, PARAMETER :: ISHP = 101\n INTEGER, PARAMETER :: IEPOX = 102\n INTEGER, PARAMETER :: MAHP = 103\n INTEGER, PARAMETER :: ORA2 = 104\n INTEGER, PARAMETER :: ORAP = 105\n INTEGER, PARAMETER :: PPN = 106\n INTEGER, PARAMETER :: MPAN = 107\n INTEGER, PARAMETER :: NALD = 108\n INTEGER, PARAMETER :: ISON = 109\n INTEGER, PARAMETER :: MCTP = 110\n INTEGER, PARAMETER :: OLNN = 111\n INTEGER, PARAMETER :: OLND = 112\n INTEGER, PARAMETER :: ADCN = 113\n INTEGER, PARAMETER :: TOLP = 114\n INTEGER, PARAMETER :: PER1 = 115\n INTEGER, PARAMETER :: XYLP = 116\n INTEGER, PARAMETER :: PER2 = 117\n INTEGER, PARAMETER :: XYOP = 118\n INTEGER, PARAMETER :: BAL1 = 119\n INTEGER, PARAMETER :: BAL2 = 120\n INTEGER, PARAMETER :: TOLNRXN = 121\n INTEGER, PARAMETER :: TOLHRXN = 122\n INTEGER, PARAMETER :: XYLNRXN = 123\n INTEGER, PARAMETER :: XYLHRXN = 124\n INTEGER, PARAMETER :: BNZNRXN = 125\n INTEGER, PARAMETER :: BNZHRXN = 126\n INTEGER, PARAMETER :: SESQ = 127\n INTEGER, PARAMETER :: SESQRXN = 128\n INTEGER, PARAMETER :: NAPH = 129\n INTEGER, PARAMETER :: PAHRO2 = 130\n INTEGER, PARAMETER :: PAHNRXN = 131\n INTEGER, PARAMETER :: PAHHRXN = 132\n INTEGER, PARAMETER :: SOAALK = 133\n INTEGER, PARAMETER :: ALKRXN = 134\n INTEGER, PARAMETER :: AISO3J = 135\n INTEGER, PARAMETER :: AXYL1J = 136\n INTEGER, PARAMETER :: AOLGAJ = 137\n INTEGER, PARAMETER :: AXYL2J = 138\n INTEGER, PARAMETER :: ATOL1J = 139\n INTEGER, PARAMETER :: ATOL2J = 140\n INTEGER, PARAMETER :: ABNZ1J = 141\n INTEGER, PARAMETER :: ABNZ2J = 142\n INTEGER, PARAMETER :: ATRP1J = 143\n INTEGER, PARAMETER :: AOLGBJ = 144\n INTEGER, PARAMETER :: ATRP2J = 145\n INTEGER, PARAMETER :: AISO1J = 146\n INTEGER, PARAMETER :: AISO2J = 147\n INTEGER, PARAMETER :: ASQTJ = 148\n INTEGER, PARAMETER :: APAH1J = 149\n INTEGER, PARAMETER :: APAH2J = 150\n INTEGER, PARAMETER :: AALK1J = 151\n INTEGER, PARAMETER :: AALK2J = 152\n INTEGER, PARAMETER :: APOCI = 153\n INTEGER, PARAMETER :: APNCOMI = 154\n INTEGER, PARAMETER :: APOCJ = 155\n INTEGER, PARAMETER :: APNCOMJ = 156\n INTEGER, PARAMETER :: PCVOC = 157\n INTEGER, PARAMETER :: PCSOARXN = 158\n INTEGER, PARAMETER :: VLVPO1 = 159\n INTEGER, PARAMETER :: VSVPO1 = 160\n INTEGER, PARAMETER :: VSVPO2 = 161\n INTEGER, PARAMETER :: VSVPO3 = 162\n INTEGER, PARAMETER :: VIVPO1 = 163\n INTEGER, PARAMETER :: VLVOO1 = 164\n INTEGER, PARAMETER :: VLVOO2 = 165\n INTEGER, PARAMETER :: VSVOO2 = 166\n INTEGER, PARAMETER :: VSVOO3 = 167\n INTEGER, PARAMETER :: VSVOO1 = 168\n\n END MODULE HRDATA\n" }, { "path": "CCTM/src/gas/ebi_racm2_ae6_aq/hrdriver.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE CHEM( CGRID, JDATE, JTIME, TSTEP )\nC**********************************************************************\nC\nC FUNCTION: Driver subroutine for Euler Backward Iterative solver\nC\nC PRECONDITIONS: For the RACM2_AE6_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: HRINIT, HRCALCKS, HRSOLVER\nC FIND_DEGRADED, INIT_DEGRADE, FINAL_DEGRADE\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 8, 2022\nC Based on the algorithm in \"Test of Two Numerical\nC Schemes for Use in Atmospheric Transport-Chemistry\nC Models\", O. Hertel, R. Berkowicz, J. Christensen,\nC and O. Hov, Atm Env., Vol. 27A, No. 16, 1993.\nC Original MEBI code developed by Ho-Chun Huang,\nC SUNY, Albany -- \"On the performance of numerical\nC solvers for a chemistry submodel in three-dimensional\nC air quality models 1. Box model simulations\",\nC H. Huang and J.S. Chang, JGR, Vol 106, No. D17, 2001.\nC This version replaces Huang and Chang use of numerical\nC solutions with analytical solutions derived in\nC Hertel et al.\nC 21 Jun 10 J.Young: convert for Namelist redesign\nC 11 May 11 D.Wong: incorporated twoway model implementation\nC 27 Sep 11 B.Hutzell: revised method for defining CALL_DEG variable\nC 18 Jul 14 B.Hutzell: revised: 1) to use the RXNS_DATA and RXNS_FUNCTION\nC modules instead of include files, 2) to enable\nC reactions between species types, 3) to calculate\nC heterogeneous rate constants via AEROSOL_CHEMISTRY\nC module, 4) to replace call to HRCALCKS with\nC subroutine in RXNS_FUNCTION module and 5) to change\nC how degrade routines are used, if present\nC 02 Dec 14 B.Hutzell: 1) added terrestrial data to conduct surface\nC dependent reactions and 2) modified the call CALC_RCONST\nC routine\nC 01 Feb 19 D.Wong: Implemented centralized I/O approach, removed all MY_N\nC clauses\nC**********************************************************************\n\n USE HGRD_DEFN ! horizontal domain specifications\n USE VGRD_DEFN ! vertical layer specifications\n USE CGRID_SPCS ! CGRID mechanism species\n USE UTILIO_DEFN ! IOAPI parameters and functions declarations\n USE RXNS_DATA\n USE AEROSOL_CHEMISTRY\n USE RXNS_FUNCTION\n#ifdef isam\n USE SA_IRR_DEFN\n USE SA_DEFN\n#endif\n USE HRDATA\n USE PHOT_MOD, Only: INIT_PHOT_SHARED, RJ ! photolysis rate, in-line module\n USE PA_DEFN, Only: LIRR ! Process Analysis control and data variable\n USE PA_IRR_CLT\n#ifndef isam\n USE DEGRADE_ROUTINES, ONLY : N_REACT, RXTANT_MAP, DEG_LAY, DEG_COL, DEG_ROW,\n & FIND_DEGRADED, INIT_DEGRADE, FINAL_DEGRADE\n#else\n USE DEGRADE_ROUTINES, ONLY : N_REACT, RXTANT_MAP, SA_DEGRADE_EXTRACT,\n & FIND_DEGRADED, INIT_DEGRADE, FINAL_DEGRADE,\n & SA_DEGRADE_UPLOAD, DEG_LAY, DEG_COL, DEG_ROW\n#endif\n USE CENTRALIZED_IO_MODULE, ONLY : INTERPOLATE_VAR, OCEAN, SZONE\n#ifdef sens\n USE DDM3D_CHEM\n Use DDM3D_DEFN, Only: DATENUM, STARTDATE, IPT, IDATE, HIGH, NP, NPMAX, CKTIME\n#endif\n\n IMPLICIT NONE\n\nC..Includes:\n INCLUDE SUBST_FILES_ID ! CMAQ files\n INCLUDE SUBST_CONST ! CMAQ constants\n\n INCLUDE SUBST_EMISPRM ! Emissions processing control parameters\n\nC..Arguments:\n REAL, POINTER :: CGRID( :,:,:,: ) ! Species concentrations\n INTEGER JDATE ! Current date (YYYYDDD)\n INTEGER JTIME ! Current time (HHMMSS)\n INTEGER TSTEP( 3 ) ! Time step vector (HHMMSS)\n\nC..Parameters:\n REAL( 8 ), PARAMETER :: DCONMIN = 1.0D-30 ! minimum species concentration allowed\n REAL, PARAMETER :: CONCMIN = 1.0E-30 ! minimum species concentration allowed\n REAL, PARAMETER :: MAOMV = 1.0E6 * MWAIR / MWWAT ! Mol Wt of air over Mol Wt of water times 1.0E6\n\nC..External Functions:\n\n\nC..Saved Local Variables:\n\n CHARACTER( 16 ), SAVE :: PNAME = 'HRDRIVER' ! Program name\n\n INTEGER, SAVE :: ISTFL ! Unit no. of iteration stat output file\n LOGICAL, SAVE :: LFIRST = .TRUE. ! Flag for first call to this subroutine\n\n REAL( 8 ), SAVE :: PA2ATM ! Pascal to atm conv fac\n\nC..Scratch Local Variables:\n CHARACTER( 132 ) :: MSG ! Message text\n CHARACTER( 16 ) :: VNAME ! Name of I/O API data variable\n\n INTEGER C, E, L, R, S ! Loop indices\n INTEGER ISP ! array index\n\n INTEGER AVGEBI ! Average no. of EBI iterations\n INTEGER DELT_SEC ! EBI max time step in seconds\n INTEGER ESP ! Loop index for emissions species\n INTEGER ITMSTEP ! Chemistry integration interval (sec)\n INTEGER LEV ! Layer index\n INTEGER MIDDATE ! Date at time step midpoint\n INTEGER MIDTIME ! Time at time step midpoint\n INTEGER NPH ! Index for number of phot. rxns in PHOT\n INTEGER SPC ! Species loop index\n#ifdef hrstats\n INTEGER MNEBI ! Min no. of EBI iterations\n INTEGER MXEBI ! Max no. of EBI iterations\n#endif\n\n LOGICAL LSUNLIGHT ! Flag for sunlight\n\n REAL INV_DENS ! reciprocal of air mass density, m3/Kg\n#ifdef hrstats\n REAL SUMEBI ! Sum of EBI iterations\n#endif\n\n INTERFACE\n SUBROUTINE HRSOLVER( JDATE, JTIME, C, R, L )\n INTEGER, INTENT( IN ) :: JDATE ! Current date (YYYYDDD)\n INTEGER, INTENT( IN ) :: JTIME ! Current time (HHMMSS)\n INTEGER, INTENT( IN ) :: C, R, L ! Cell col, row, lev\n END SUBROUTINE HRSOLVER\n SUBROUTINE HETCHEM_UPDATE_AERO( CGRID )\n REAL, POINTER :: CGRID( :,:,:,: ) ! species concentration in cell\n END SUBROUTINE HETCHEM_UPDATE_AERO\n END INTERFACE\n\nC**********************************************************************\n\n IF( NUMB_MECH_SPC .EQ. 0 ) RETURN\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc On first call, call routines to set-up for EBI solver\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF( LFIRST ) THEN\n\n IF( MECHNAME .NE. 'RACM2_AE6_AQ' ) THEN\n MSG = 'This version of the EBI solver can only be used with'\n & // ' the RACM2_AE6_AQ chemical mechanism'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n#ifdef emis_chem\n EMISVD = .FALSE.\n#else\n EMISVD = .TRUE.\n#endif\n\n IF( INDEX( MECHNAME, 'AE' ) .NE. 0 ) THEN\n L_AE_VRSN = .TRUE.\n ELSE\n L_AE_VRSN = .FALSE.\n END IF\n\n IF( INDEX( MECHNAME, 'AQ' ) .NE. 0 ) THEN\n L_AQ_VRSN = .TRUE.\n ELSE\n L_AQ_VRSN = .FALSE.\n END IF\n\n IF( LIRR ) THEN\n CALL_IRR = .TRUE.\n ELSE\n CALL_IRR = .FALSE.\n END IF\n\n MODEL_SPECIES = NSPCSD ! WTH: find number of model species\n\n! Determine whether DEGRADE rountines are needed.\n\n CALL FIND_DEGRADED( JDATE, JTIME, CALL_DEG )\n IF( CALL_DEG )THEN\n WRITE(LOGDEV,*)'TX DEGRADE ROUTINES USED'\n WRITE(LOGDEV,*)'Mechanism contains degraded species'\n#ifdef verbose_gas\n ELSE\n WRITE(LOGDEV,*)'TX DEGRADE ROUTINES OMITTED'\n WRITE(LOGDEV,*)'MECHANISM does not include degraded species'\n#endif\n END IF\n\n CALL HRINIT\n\n ITMSTEP = TIME2SEC( TSTEP( 2 ) )\n CHEMSTEP = REAL( ITMSTEP, 8 ) / 60.0D0\n WRITE( LOGDEV, 92000 ) CHEMSTEP, DELTAT\n\n WRITE( LOGDEV, 92020 )\n DO SPC = 1, NUMB_MECH_SPC\n WRITE( LOGDEV, 92040 ) CHEMISTRY_SPC( SPC ), RTOL( SPC )\n END DO\n\n PA2ATM = REAL( 1.0 / STDATMPA, 8)\n\nc..If emissions processing requested stop\n IF( .NOT. EMISVD ) THEN ! assumes emis processing in gas chem\n\n MSG = 'ERROR: EBI solver not configured to '//\n & 'process emissions in chemistry'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n\n END IF ! End if doing emissions\n\n\n#ifdef hrstats\n ISTFL = JUNIT()\n OPEN( UNIT=ISTFL, FILE='iterstat.dat' )\n WRITE( ISTFL, 94020 )\n#endif\nC Define processor offsets\n\n PECOL_OFFSET = COLSD_PE( 1, MYPE+1 ) - 1\n PEROW_OFFSET = ROWSD_PE( 1, MYPE+1 ) - 1\n\n ALLOCATE( SEAWATER_ZONE( NCOLS, NROWS ) )\n DO R = 1, NROWS\n DO C = 1, NCOLS\n SEAWATER_ZONE( C,R ) = OCEAN( C,R ) + SZONE( C,R )\n END DO\n END DO\n\n ALLOCATE( DENS( NCOLS, NROWS, NLAYS ), PRES( NCOLS, NROWS, NLAYS ),\n & QV ( NCOLS, NROWS, NLAYS ), TA ( NCOLS, NROWS, NLAYS ),\n & SEAICE( NCOLS, NROWS ) )\n\nC..Initialize shared photolysis data\n CALL INIT_PHOT_SHARED()\n\nC..Determine which cells need IRR\n ALLOCATE( LFLAGIRR ( NCOLS, NROWS, NLAYS ) )\n CALL PA_IRR_CKCELLS ( LFLAGIRR )\n\n#ifdef isam\n NUMB_ISAM_CELLS = 1.0D0 / ( NCOLS * NROWS * NLAYS )\n CALL SA_IRR_INIT\n#endif\n\n#ifdef sens\n CALL INIT_DDM3D_CHEM()\n\nC For higher order sensitivities\n IF ( HIGH ) THEN\n DO RXN = 1, NRXNS\n IF( NREACT( RXN ) .EQ. 1 ) THEN\n ORDER1( RXN ) = .TRUE.\n ELSE\n ORDER1( RXN ) = .FALSE.\n END IF\n END DO\n END IF\n#endif\n\n LFIRST = .FALSE.\n\n END IF ! First time\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC Set date and time to center of time step, get necessary physical\nC data\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n MIDDATE = JDATE\n MIDTIME = JTIME\n ITMSTEP = TIME2SEC( TSTEP( 2 ) )\n CHEMSTEP = REAL( ITMSTEP, 8 ) / 60.0D0\n CALL NEXTIME( MIDDATE, MIDTIME, SEC2TIME( ITMSTEP / 2 ) )\n\nC.. Compute number of time step loops and step size for EBI solver\n DELT_SEC = INT( DELTAT * 60.0D0 + 0.1D0 )\n IF( DELT_SEC .GE. ITMSTEP ) THEN\n N_EBI_STEPS = 2\n EBI_TMSTEP = 0.5D0 * CHEMSTEP\n ELSE\n IF( MOD( ITMSTEP, DELT_SEC ) .EQ. 0 ) THEN\n N_EBI_STEPS = ITMSTEP / DELT_SEC\n ELSE\n N_EBI_STEPS = ITMSTEP / DELT_SEC + 1\n END IF\n EBI_TMSTEP = CHEMSTEP / REAL( N_EBI_STEPS, 8 )\n END IF\n\n N_INR_STEPS = 1\n\n\nC.. Get fractional seaice coverage from the METCRO2D file.\n\n CALL INTERPOLATE_VAR ('SEAICE', MIDDATE, MIDTIME, SEAICE)\n\nC.. Get ambient temperature in K\n\n CALL INTERPOLATE_VAR ('TA', MIDDATE, MIDTIME, TA)\n\nC.. Get specific humidity in Kg H2O / Kg air\n CALL INTERPOLATE_VAR ('QV', MIDDATE, MIDTIME, QV)\n\n! Get ambient MASS DENSITY in Kg/m^3\n CALL INTERPOLATE_VAR ('DENS', MIDDATE, MIDTIME, DENS)\n\nC.. Get pressure in Pascals\n CALL INTERPOLATE_VAR ('PRES', MIDDATE, MIDTIME, PRES)\n\nC.. Get Heteorogeneous rates and Update Aerosol Distribution Properties\n CALL HETCHEM_RATES( TA, PRES, QV, CGRID, DENS )\n\n#ifdef sens\n DATENUM = 1 + JDATE - STARTDATE ! Set the date and hour counters used in sensitivity calls\n\nC For reaction rate sensitivities\n DO NP = 1, NPMAX\n IF ( IPT( NP ) .EQ. 5 ) THEN\n CALL CKTIME( JDATE,JTIME,NP,RXNFLAG(NP) ) ! Rxnflag set to true iff ipt=5 and time, date within bounds\n IF ( IDATE( NP, DATENUM ) .NE. 1 ) RXNFLAG( NP ) = .FALSE.\n ELSE\n RXNFLAG( NP ) = .FALSE.\n END IF\n END DO\n\n#endif sens\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Top of loop over cells\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n#ifdef hrstats\n MNEBI = 1000\n MXEBI = 0\n SUMEBI = 0.0\n#endif\n\n NCELL = 1\n\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n\n DEG_LAY = L\n DEG_ROW = R\n DEG_COL = C\n\nc..reset CALL_IRR based on cell's values\n CALL_IRR = LFLAGIRR( C,R,L )\n\nc..Load ICs\n INV_DENS = 1.0 / DENS( C,R,L )\n DO SPC = 1, NUMB_MECH_SPC\n S = CGRID_INDEX( SPC )\n IF( CONVERT_CONC( SPC ) )THEN\n YC( SPC ) = REAL( MAX( CONCMIN,\n & INV_DENS*FORWARD_CONV( SPC )*CGRID( C,R,L,S )), 8 )\n ELSE\n YC( SPC ) = REAL( MAX( CGRID( C,R,L,S ), CONCMIN), 8 )\n END IF\n END DO\n\n IF(CALL_DEG)THEN ! INITIALIZE degradation routines\n\n YCCELL = 0.0D0\n DO S = 1, MODEL_SPECIES\n YCCELL( S ) = REAL( CGRID(C,R,L,S), 8)\n END DO\n CALL INIT_DEGRADE(YCCELL,TA(C,R,L),DENS(C,R,L),PRES(C,R,L),QV(C,R,L),RJIN(NCELL,:),\n & JDATE, JTIME)\n\n#ifdef isam\n CALL SA_DEGRADE_EXTRACT( C,R,L,DENS(C,R,L) )\n#endif\n END IF\n\nc..Set physical quantities\n TEMP( NCELL ) = REAL( TA( C,R,L ), 8)\n DENSITY( NCELL ) = REAL( DENS( C,R,L ), 8)\n! PRESCELL( NCELL ) = REAL( PRES( C,R,L ), 8)\n ATMPRES( NCELL ) = PA2ATM * REAL( PRES( C,R,L ), 8)\n H2O( NCELL ) = REAL( MAX ( MAOMV * QV( C,R,L ), 0.0 ), 8)\n SEAWATER (NCELL) = MAX ( 0.0D0, ( REAL( SEAWATER_ZONE( C,R ) - SEAICE (C,R) ,8) ) )\n\nc..Get rate constants\n LSUNLIGHT = .FALSE.\n FORALL( NPH = 1:NPHOTAB ) RJIN( NCELL,NPH ) = REAL( RJ( C,R,L,NPH ), 8)\n IF( MAXVAL(RJIN) .GT. 0.0D0 ) LSUNLIGHT = .TRUE.\n\n FORALL ( NPH = 1:NHETERO )HET( NCELL,NPH ) = REAL( KHETERO( NPH,C,R,L ), 8)\n\n CALL CALC_RCONST( TEMP, ATMPRES, H2O, RJIN, HET, LSUNLIGHT, SEAWATER, RKI_SAV, NCELL )\n FORALL( NPH = 1:NRXNS )RKI( NPH ) = RKI_SAV( NCELL, NPH )\n\n#ifdef isam\n#if defined(isam) || defined(verbose_isam)\nC...For diagnosing IRR calculations in log files\n IF( CHECK_ISAM )THEN\n WRITE_CELL = .FALSE.\n IF( C .EQ. MAX(1, NCOLS/2) .AND. R .EQ. MAX(1,NROWS/2) .AND. L .EQ. 1 )THEN\n WRITE_CELL = .TRUE.\n WRITE(LOGDEV,*)'WRITE_CELL = .TRUE.'\n ELSE\n WRITE_CELL = .FALSE.\n END IF\n END IF\n#endif\n CALL SA_IRR_EXTRACT( C, R, L, DENS( C,R,L ),YC )\n#endif\n\nc..Call EBI solver\n N_EBI_IT = 0\n\n CALL HRSOLVER( JDATE, JTIME, C, R, L )\n\n#ifdef hrstats\n MXEBI = MAX( MXEBI, N_EBI_IT )\n MNEBI = MIN( MNEBI, N_EBI_IT )\n SUMEBI = SUMEBI + REAL( N_EBI_IT )\n#endif\n\n\nc..Update concentration array\n DO SPC = 1, NUMB_MECH_SPC\n S = CGRID_INDEX( SPC )\n IF( CONVERT_CONC( SPC ) )THEN\n CGRID( C,R,L,S ) = REAL( REVERSE_CONV( SPC ) * DENS( C,R,L )\n & * MAX( YC( SPC ), DCONMIN), 4)\n ELSE\n CGRID( C,R,L,S ) = REAL( MAX( YC( SPC ), DCONMIN), 4)\n END IF\n END DO\n\n IF(CALL_DEG)THEN ! WTH: update based on degrade routines\n CALL FINAL_DEGRADE(YCCELL)\n UPDATE_DEGRADED: DO SPC = 1, N_REACT\n ISP = RXTANT_MAP( SPC )\n IF( ISP .LE. 0 )CYCLE UPDATE_DEGRADED\n DO S = 1, NUMB_MECH_SPC\n IF( CGRID_INDEX( S ) .EQ. ISP )CYCLE UPDATE_DEGRADED\n END DO\n CGRID(C,R,L,ISP) = REAL( YCCELL(ISP), 4)\n END DO UPDATE_DEGRADED\n#ifdef isam\n CALL SA_DEGRADE_UPLOAD( C,R,L,DENS(C,R,L) )\n#endif\n END IF\n\n#ifdef isam\n CALL SA_IRR_UPLOAD( C, R, L, DENS( C,R,L ), YC )\n#endif\n\nc..update irrout arrays if needed\n IF ( LFLAGIRR( C,R,L ) )CALL PA_IRR_CELLENDF( C, R, L )\n#ifdef sens\n DO RXN = 1, NRXNS\n SRK( RXN ) = RKI( RXN )\n IF ( HIGH ) THEN\n IF ( ORDER1 (RXN ) ) THEN\n SRK2( RXN ) = 0.0\n ELSE\n SRK2( RXN ) = RKI( RXN )\n END IF\n END IF\n END DO\n\n\n CALL SOLVE_DDM3D_CHEM( C,R,L,CHEMSTEP )\n#endif\n\n END DO\n END DO\n END DO\n\n! Update Aerosol Surface Area\n CALL HETCHEM_UPDATE_AERO( CGRID )\n\n#ifdef hrstats\n AVGEBI = SUMEBI / REAL( NCOLS * NROWS * NLAYS )\n WRITE( ISTFL, 94040 ) JDATE, JTIME, MNEBI, AVGEBI, MXEBI\n#endif\n\n RETURN\n\nC*********************** FORMAT STATEMENTS ****************************\n\n92000 FORMAT( / 10X, 'Euler Backward Iterative Parameters -'\n & / 10X, 'Chemistry Integration Time Interval (min):', F12.4,\n & / 10X, 'EBI maximum time step (min): ', F12.4 )\n\n92020 FORMAT( //10X, 'Species convergence tolerances:' )\n\n92040 FORMAT( 10X, A16, 2X, 1PE12.2 )\n\n92060 FORMAT( / 10X, 'Emissions Processing in Chemistry ...'\n & / 10X, 'Number of Emissions Layers: ', I3\n & / 10X, 'out of total Number of Model Layers:', I3 )\n\n\n94020 FORMAT( 'DATE TIME ', 'MNEBI AVEBI MXEBI' )\n\n94040 FORMAT( I7, 1X, I6, 1X, 3( I5, 1X ) )\n END\n" }, { "path": "CCTM/src/gas/ebi_racm2_ae6_aq/hrg1.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\n SUBROUTINE HRG1( DTC )\n\nC**********************************************************************\nC\nC FUNCTION: To solve for the concentration of NO2, NO, O3, and O3P\nC algebraically.\nC\nC PRECONDITIONS: For the RACM2_AE6_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 8, 2022\nC\nC 18 Jul 14 B.Hutzell: revised to use real(8) variables\nC 01 Jun 18 B.Hutzell: replaced steady solution for O1D with backward Euler\nC approximation. To match conditions where the initial\nC concentration cannot be neglected.\nC**********************************************************************\n USE HRDATA\n\n IMPLICIT NONE\n\n\nC..INCLUDES: None\n\n\nC..ARGUMENTS:\n REAL( 8 ), INTENT( IN ) :: DTC ! Time step\n\n\nC..PARAMETERS: None\n\n\nC..EXTERNAL FUNCTIONS: NONE\n\n\nC..SAVED LOCAL VARIABLES:\n! CHARACTER( 16 ), SAVE :: PNAME = 'HRG1' ! Prgram Name\n\n\nC..SCRATCH LOCAL VARIABLES:\n REAL( 8 ) :: O1D_S ! sum of O1D loss frequencies\n REAL( 8 ) :: O3P_S ! stoich coeff for O3P from O1D\n\n\n\n REAL( 8 ) :: R1_2 ! production term for NO from NO2\n REAL( 8 ) :: R2_1 ! production term for NO2 from NO\n REAL( 8 ) :: P1, P2, P3, P12 ! production terms for NO, NO2, O3, & O3P\n REAL( 8 ) :: L1, L2, L3, L12 ! loss terms for NO, NO2, O3, O3P\n REAL( 8 ) :: L1_INV, L2_INV,\n & L3_INV, L12_INV ! inverse of loss terms\n\n REAL( 8 ) :: T1, T2, T3, T4, T5 ! intermerdiate terms\n REAL( 8 ) :: F1, F2, F3 ! intermerdiate terms\n REAL( 8 ) :: A, B, C ! coefficients for quadratic equation\n REAL( 8 ) :: Q, XX, S1, S2 ! intermerdiate terms\n\n REAL( 8 ) :: RK1, RK2, RK3 ! rate constants\n\n REAL( 8 ) :: PO3 ! temp variable for O3\n\nC**********************************************************************\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc O1D Section\nc 1) sum of the rate constants for all O1D loss reactions\nc 2) get fractional yield of O3P from O1D loss\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n O1D_S = RKI( 40 ) ! O1D=O3P\n & + RKI( 41 ) ! O1D=O3P\n & + RKI( 42 ) ! O1D=0.2000D+01*HO\n\n O3P_S = RKI( 40 ) ! O1D=O3P\n & + RKI( 41 ) ! O1D=O3P\n\n O3P_S = O3P_S / O1D_S\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc NO Section\nc R1_2 = production of NO from NO2 ( rates of form k[NO2][x] )\nc except NO2+NO3=NO+NO2 (it is treated as if it were NO3=NO )\nc P1 = remaining NO production terms\nc L1 = loss of NO (except rxns producing NO2 - they are in R2_1)\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n R1_2 = RKI( 4 ) ! NO2=NO+O3P\n & + RKI( 54 ) * YC ( O3P ) ! NO2+O3P=NO\n R1_2 = R1_2 * DTC\n\n\n P1 = RXRAT( 5 ) ! NO3=NO\n & + RXRAT( 7 ) ! HONO=NO+HO\n & + RXRAT( 61 ) ! NO2+NO3=NO+NO2\n P1 = YC0( NO ) + P1 * DTC\n\n\n L1 = RKI( 49 ) * YC ( HO ) ! NO+HO=HONO\n & + RKI( 51 ) * YC ( HO2 ) ! NO+HO2=HNO3\n & + 6.5000D-02 * RKI( 174 ) * YC ( HC3P ) ! NO+HC3P=0.6600D+...\n & + 1.3600D-01 * RKI( 175 ) * YC ( HC5P ) ! NO+HC5P=0.2000D+...\n & + 2.6100D-01 * RKI( 176 ) * YC ( HC8P ) ! NO+HC8P=0.6060D+...\n & + 3.0000D-02 * RKI( 178 ) * YC ( OLTP ) ! NO+OLTP=0.7800D+...\n & + 5.0000D-02 * RKI( 179 ) * YC ( OLIP ) ! NO+OLIP=0.8300D+...\n & + 8.2000D-02 * RKI( 180 ) * YC ( BENP ) ! NO+BENP=0.9180D+...\n & + 5.0000D-02 * RKI( 182 ) * YC ( TOLP ) ! NO+TOLP=0.9500D+...\n & + 5.0000D-02 * RKI( 183 ) * YC ( PER1 ) ! NO+PER1=0.5000D+...\n & + 5.0000D-02 * RKI( 185 ) * YC ( XYLP ) ! NO+XYLP=0.9500D+...\n & + 5.0000D-02 * RKI( 186 ) * YC ( PER2 ) ! NO+PER2=0.9500D+...\n & + 5.0000D-02 * RKI( 187 ) * YC ( XYOP ) ! NO+XYOP=0.9500D+...\n & + 1.2000D-01 * RKI( 188 ) * YC ( ISOP ) ! NO+ISOP=0.8800D+...\n & + 1.8000D-01 * RKI( 189 ) * YC ( APIP ) ! NO+APIP=0.8200D+...\n L1 = 1.0D0 + L1 * DTC\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc NO2 Section\nc R2_1 = production of NO2 from NO ( rates of form k[NO][x] )\nc a) NO+O3=NO2 not included\nc b) NO+NO3=2NO2 ( 1/2 of NO2 formation rate included )\nc c) NO3+NO2=NO+NO2 is not included for NO2\nc P2 = remaining NO2 production terms \nc a) NO+O3=NO2 not included\nc b) NO+NO3=2NO2 (1/2 of NO2 formation rate included )\nc L2 = loss of NO2 (except rxns producing NO2 - they are in R1_2)\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n R2_1 = RKI( 48 ) * YC ( O3P ) ! NO+O3P=NO2\n & + RKI( 50 ) * YC ( HO2 ) ! NO+HO2=NO2+HO\n & + 2.0000D+00 * RKI( 52 ) * YC ( NO ) ! NO+NO=0.2000D+01*NO2\n & + RKI( 60 ) * YC ( NO3 ) ! NO+NO3=0.2000D+...\n & + RKI( 172 ) * YC ( MO2 ) ! NO+MO2=NO2+HO2+HCHO\n & + RKI( 173 ) * YC ( ETHP ) ! NO+ETHP=NO2+HO2+ACD\n & + 9.3500D-01 * RKI( 174 ) * YC ( HC3P ) ! NO+HC3P=0.9350D+...\n & + 8.6400D-01 * RKI( 175 ) * YC ( HC5P ) ! NO+HC5P=0.8640D+...\n & + 7.3900D-01 * RKI( 176 ) * YC ( HC8P ) ! NO+HC8P=0.7390D+...\n & + RKI( 177 ) * YC ( ETEP ) ! NO+ETEP=NO2+HO2+...\n & + 9.7000D-01 * RKI( 178 ) * YC ( OLTP ) ! NO+OLTP=0.9700D+...\n & + 9.5000D-01 * RKI( 179 ) * YC ( OLIP ) ! NO+OLIP=0.9500D+...\n & + 9.1800D-01 * RKI( 180 ) * YC ( BENP ) ! NO+BENP=0.9180D+...\n & + RKI( 181 ) * YC ( TLP1 ) ! NO+TLP1=NO2+BALD\n & + 9.5000D-01 * RKI( 182 ) * YC ( TOLP ) ! NO+TOLP=0.9500D+...\n & + 9.5000D-01 * RKI( 183 ) * YC ( PER1 ) ! NO+PER1=0.9500D+...\n & + RKI( 184 ) * YC ( XYL1 ) ! NO+XYL1=NO2+BALD\n & + 9.5000D-01 * RKI( 185 ) * YC ( XYLP ) ! NO+XYLP=0.9500D+...\n & + 9.5000D-01 * RKI( 186 ) * YC ( PER2 ) ! NO+PER2=0.9500D+...\n & + 9.5000D-01 * RKI( 187 ) * YC ( XYOP ) ! NO+XYOP=0.9500D+...\n & + 8.8000D-01 * RKI( 188 ) * YC ( ISOP ) ! NO+ISOP=0.8800D+...\n & + 8.2000D-01 * RKI( 189 ) * YC ( APIP ) ! NO+APIP=0.8200D+...\n & + RKI( 190 ) * YC ( LIMP ) ! NO+LIMP=NO2+...\n & + RKI( 191 ) * YC ( ACO3 ) ! NO+ACO3=NO2+MO2\n & + RKI( 192 ) * YC ( RCO3 ) ! NO+RCO3=NO2+ETHP\n & + RKI( 193 ) * YC ( ACTP ) ! NO+ACTP=NO2+ACO3+...\n & + RKI( 194 ) * YC ( MEKP ) ! NO+MEKP=NO2+...\n & + RKI( 195 ) * YC ( KETP ) ! NO+KETP=NO2+...\n & + RKI( 196 ) * YC ( MACP ) ! NO+MACP=NO2+...\n & + RKI( 197 ) * YC ( MCP ) ! NO+MCP=NO2+...\n & + RKI( 198 ) * YC ( MVKP ) ! NO+MVKP=NO2+...\n & + RKI( 199 ) * YC ( UALP ) ! NO+UALP=NO2+HO2+...\n & + RKI( 200 ) * YC ( BALP ) ! NO+BALP=NO2+BAL1\n & + RKI( 201 ) * YC ( BAL1 ) ! NO+BAL1=NO2+BAL2\n & + RKI( 202 ) * YC ( ADDC ) ! NO+ADDC=NO2+HO2+...\n & + RKI( 203 ) * YC ( MCTP ) ! NO+MCTP=NO2+MCTO\n & + RKI( 204 ) * YC ( ORAP ) ! NO+ORAP=NO2+GLY+HO2\n & + RKI( 205 ) * YC ( OLNN ) ! NO+OLNN=NO2+HO2+ONIT\n & + RKI( 206 ) * YC ( OLND ) ! NO+OLND=0.2000D+...\n & + RKI( 207 ) * YC ( ADCN ) ! NO+ADCN=0.2000D+...\n & + RKI( 208 ) * YC ( XO2 ) ! NO+XO2=NO2\n R2_1 = R2_1 * DTC\n\n\n P2 = RXRAT( 6 ) ! NO3=NO2+O3P\n & + RXRAT( 8 ) ! HNO3=NO2+HO\n & + 8.0000D-01 * RXRAT( 9 ) ! HNO4=0.8000D+00*NO2+...\n & + RXRAT( 31 ) ! ONIT=NO2+HO2+0.2000D+...\n & + RXRAT( 32 ) ! PAN=NO2+ACO3\n & + RXRAT( 53 ) ! HONO+HO=NO2\n & + RXRAT( 58 ) ! NO3+HO=NO2+HO2\n & + 7.0000D-01 * RXRAT( 59 ) ! NO3+HO2=0.7000D+...\n & + RXRAT( 60 ) ! NO+NO3=0.2000D+01*NO2\n & + 2.0000D+00 * RXRAT( 62 ) ! NO3+NO3=0.2000D+01*NO2\n & + RXRAT( 64 ) ! N2O5=NO2+NO3\n & + RXRAT( 67 ) ! HNO4=NO2+HO2\n & + RXRAT( 68 ) ! HNO4+HO=NO2\n & + RXRAT( 122 ) ! MPAN+HO=NO2+HKET\n & + RXRAT( 123 ) ! ONIT+HO=NO2+HC3P\n & + RXRAT( 124 ) ! NALD+HO=NO2+XO2+HKET\n & + 6.8000D-01 * RXRAT( 151 ) ! MACR+NO3=0.6800D+...\n & + 5.0000D-01 * RXRAT( 157 ) ! EPX+NO3=0.5000D+...\n & + RXRAT( 159 ) ! MPAN+NO3=NO2+MACP\n & + RXRAT( 167 ) ! PAN=NO2+ACO3\n & + RXRAT( 169 ) ! PPN=NO2+RCO3\n & + RXRAT( 171 ) ! MPAN=NO2+MACP\n & + RXRAT( 206 ) ! NO+OLND=0.2000D+...\n & + RXRAT( 207 ) ! NO+ADCN=0.2000D+...\n & + RXRAT( 273 ) ! MCP+MO2=NO2+HO2+...\n & + 5.0000D-01 * RXRAT( 282 ) ! OLND+MO2=0.5000D+...\n & + 7.0000D-01 * RXRAT( 283 ) ! ADCN+MO2=0.7000D+...\n & + RXRAT( 309 ) ! MCP+ACO3=NO2+0.5000D+...\n & + RXRAT( 318 ) ! OLND+ACO3=NO2+0.5000D+...\n & + 7.0000D-01 * RXRAT( 319 ) ! ADCN+ACO3=0.7000D+...\n & + RXRAT( 322 ) ! MO2+NO3=NO2+HCHO+HO2\n & + RXRAT( 323 ) ! ETHP+NO3=NO2+HO2+ACD\n & + RXRAT( 324 ) ! HC3P+NO3=NO2+0.1400D+...\n & + RXRAT( 325 ) ! HC5P+NO3=NO2+0.5500D-...\n & + RXRAT( 326 ) ! HC8P+NO3=NO2+0.1800D+...\n & + RXRAT( 327 ) ! ETEP+NO3=NO2+HO2+...\n & + RXRAT( 328 ) ! OLTP+NO3=NO2+0.7900D+...\n & + RXRAT( 329 ) ! OLIP+NO3=NO2+0.7200D+...\n & + RXRAT( 330 ) ! BENP+NO3=NO2+HO2+...\n & + RXRAT( 331 ) ! TLP1+NO3=NO2+BALD\n & + RXRAT( 332 ) ! TOLP+NO3=NO2+HO2+DCB2\n & + RXRAT( 333 ) ! PER1+NO3=NO2+0.5000D+...\n & + RXRAT( 334 ) ! XYL1+NO3=NO2+BALD\n & + RXRAT( 335 ) ! XYLP+NO3=NO2+HO2+DCB3\n & + RXRAT( 336 ) ! PER2+NO3=NO2+HO2+MGLY+...\n & + RXRAT( 337 ) ! XYOP+NO3=NO2+HO2+...\n & + RXRAT( 338 ) ! ISOP+NO3=NO2+HO2+...\n & + RXRAT( 339 ) ! APIP+NO3=NO2+HO2+ALD+KET\n & + RXRAT( 340 ) ! LIMP+NO3=NO2+HO2+...\n & + RXRAT( 341 ) ! ACO3+NO3=NO2+MO2\n & + RXRAT( 342 ) ! RCO3+NO3=NO2+ETHP\n & + RXRAT( 343 ) ! ACTP+NO3=NO2+ACO3+HCHO\n & + RXRAT( 344 ) ! MEKP+NO3=NO2+0.6700D+...\n & + RXRAT( 345 ) ! KETP+NO3=NO2+HO2+DCB1\n & + RXRAT( 346 ) ! MACP+NO3=NO2+0.5380D+...\n & + RXRAT( 347 ) ! MCP+NO3=NO2+HO2+HCHO+HKET\n & + RXRAT( 348 ) ! MVKP+NO3=NO2+0.7000D+...\n & + RXRAT( 349 ) ! UALP+NO3=NO2+HO2+...\n & + RXRAT( 350 ) ! BALP+NO3=NO2+BAL1\n & + RXRAT( 351 ) ! BAL1+NO3=NO2+BAL2\n & + RXRAT( 352 ) ! ADDC+NO3=NO2+HO2+...\n & + RXRAT( 353 ) ! MCTP+NO3=NO2+MCTO\n & + RXRAT( 354 ) ! ORAP+NO3=NO2+GLY+HO2\n & + RXRAT( 355 ) ! OLNN+NO3=NO2+HO2+ONIT\n & + 2.0000D+00 * RXRAT( 356 ) ! OLND+NO3=0.2000D+...\n & + 2.0000D+00 * RXRAT( 357 ) ! ADCN+NO3=0.2000D+...\n & + 5.0000D-01 * RXRAT( 359 ) ! OLNN+OLND=0.5000D+...\n & + RXRAT( 360 ) ! OLND+OLND=NO2+0.5040D+...\n & + RXRAT( 361 ) ! XO2+NO3=NO2\n P2 = YC0( NO2 ) + P2 * DTC\n\n\n L2 = RKI( 37 ) * YC ( O3 ) ! NO2+O3=NO3\n & + RKI( 55 ) * YC ( O3P ) ! NO2+O3P=NO3\n & + RKI( 56 ) * YC ( HO ) ! NO2+HO=HNO3\n & + RKI( 63 ) * YC ( NO3 ) ! NO2+NO3=N2O5\n & + RKI( 66 ) * YC ( HO2 ) ! NO2+HO2=HNO4\n & + RKI( 166 ) * YC ( ACO3 ) ! NO2+ACO3=PAN\n & + RKI( 168 ) * YC ( RCO3 ) ! NO2+RCO3=PPN\n & + RKI( 170 ) * YC ( MACP ) ! NO2+MACP=MPAN\n & + RKI( 209 ) * YC ( BAL2 ) ! NO2+BAL2=ONIT\n & + RKI( 210 ) * YC ( CHO ) ! NO2+CHO=ONIT\n & + RKI( 211 ) * YC ( MCTO ) ! NO2+MCTO=ONIT\n & + RKI( 379 ) ! NO2=0.5000D+...\n L2 = 1.0D0 + L2 * DTC\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc O3 Section\nc P3 = production of O3 except O+O2=O3\nc L3 = loss terms for O3 except NO+O3=NO2\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n P3 = YC0( O3 ) \n\n\n L3 = RKI( 1 ) ! O3=O3P\n & + RKI( 2 ) ! O3=O1D\n & + RKI( 34 ) * YC ( HO ) ! O3+HO=HO2\n & + RKI( 35 ) * YC ( HO2 ) ! O3+HO2=HO\n & + RKI( 37 ) * YC ( NO2 ) ! O3+NO2=NO3\n & + RKI( 39 ) * YC ( O3P ) ! O3+O3P=\n & + RKI( 126 ) * YC ( ETE ) ! O3+ETE=0.8000D-...\n & + RKI( 127 ) * YC ( OLT ) ! O3+OLT=0.2200D+...\n & + RKI( 128 ) * YC ( OLI ) ! O3+OLI=0.4600D+...\n & + RKI( 129 ) * YC ( DIEN ) ! O3+DIEN=0.9000D-...\n & + RKI( 130 ) * YC ( ISO ) ! O3+ISO=0.2500D+...\n & + RKI( 131 ) * YC ( API ) ! O3+API=0.8500D+...\n & + RKI( 132 ) * YC ( LIM ) ! O3+LIM=0.8500D+...\n & + RKI( 133 ) * YC ( MACR ) ! O3+MACR=0.1900D+...\n & + RKI( 134 ) * YC ( MVK ) ! O3+MVK=0.1600D+...\n & + RKI( 135 ) * YC ( UALD ) ! O3+UALD=0.1000D+...\n & + RKI( 136 ) * YC ( DCB1 ) ! O3+DCB1=0.5000D-...\n & + RKI( 137 ) * YC ( DCB2 ) ! O3+DCB2=0.5000D-...\n & + RKI( 138 ) * YC ( DCB3 ) ! O3+DCB3=0.5000D-...\n & + RKI( 139 ) * YC ( EPX ) ! O3+EPX=0.5000D-...\n & + RKI( 140 ) * YC ( MCTO ) ! O3+MCTO=MCTP\n & + RKI( 380 ) ! O3=\n L3 = 1.0D0 + L3 * DTC\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc O3P Section \nc P12 = production of O3P except NO2+hv=O3P (J1)\nc L12 = loss terms\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n P12 = RXRAT( 1 ) ! O3=O3P\n & + O3P_S * RXRAT( 2 ) ! O3=O1D\n & + RXRAT( 6 ) ! NO3=O3P+NO2\n & + 9.0000D-02 * RXRAT( 129 ) ! DIEN+O3=0.9000D-...\n P12 = YC0( O3P ) + P12 * DTC\n\n\n L12 = RKI( 38 ) ! O3P=O3\n & + RKI( 39 ) * YC ( O3 ) ! O3P+O3=\n & + RKI( 48 ) * YC ( NO ) ! O3P+NO=NO2\n & + RKI( 54 ) * YC ( NO2 ) ! O3P+NO2=NO\n & + RKI( 55 ) * YC ( NO2 ) ! O3P+NO2=NO3\n L12 = 1.0D0 + L12 * DTC\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Solution section\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\nc..compute reciprocal of loss terms\n L1_INV = 1.0D0 / L1\n L2_INV = 1.0D0 / L2\n L3_INV = 1.0D0 / L3\n L12_INV = 1.0D0 / L12\n\nc..compute specific k*delta t terms\n RK1 = RKI( 4 ) * DTC ! J1 (NO2+hv=NO+O3P)\n RK2 = RKI( 38 ) * DTC ! J2 (O3P+O2=O3)\n RK3 = RKI( 36 ) * DTC ! k1_3 (NO+O3=NO2)\n\nc..compute terms that are used to calulate a,b & c\n T1 = RK1 * L2_INV ! J1 / ( 1.0 + Lno2 * dt )\n T2 = R1_2 * L2_INV ! r1,2 / ( 1.0 + Lno2 * dt)\n T3 = R2_1 * L1_INV ! r2,1 / ( 1.0 + Lno * dt)\n T4 = RK2 * L12_INV ! J2 / ( 1.0 + Lo3p * dt )\n T5 = T3 * P1 - T2 * P2 ! T3 * Pno - T2 * Pno2\n\n F1 = 1.0D0 + T2 + T3 ! factor in calculating a & b\n F2 = T1 * T4 ! factor in calculating a & b\n F3 = L3 * L1 + RK3 * P1 ! (1 + Lo3 * dt) (1 + lno * dt )\n ! + k1,3 * dt * Pno\n\n PO3 = P3 + P12 * T4\n\n A = RK3 * ( F1 - F2 )\n\n B = F1 * F3 + RK3 * ( F2 * ( P2 - P1 ) + PO3 + T5 )\n\n C = RK3 * P1 * ( PO3 + P2 * F2 ) + F3 * T5\n\n Q = -0.5D0 * ( B + SIGN( 1.0D0, B ) * SQRT( B * B - 4.0D0 * A * C ) )\n\n XX = MAX( Q / A , C / Q )\n\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Species solutions\nc [NO] = ( P1 + x ) / ( 1 + L1 )\nc [NO2] = ( P2 - x ) / ( 1 + L2 )\nc [O3 ] = ( P3 + Ko3p->O3 ) / (1 + K1,3 * [NO] + L3 )\nc [O3P] = ( P12 + J1 * [NO2] ) / ( 1 + L12 )\nc [O1D] = ( yc0(o1d) + Ko3->o1d * [O3] *dtc) / ( 1 + O1D_S*dtc )\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n YCP( NO ) = MAX( 0.0D0, ( P1 + XX ) * L1_INV )\n\n YCP( NO2 ) = MAX( 0.0D0, ( P2 - XX ) * L2_INV )\n\n S1 = P12 + RK1 * YCP( NO2 )\n\n S2 = T4 * S1\n\n YCP( O3 ) = ( P3 + S2 ) / ( L3 + RK3 * YCP( NO ) )\n\n YCP( O3P ) = S1 * L12_INV\n\n YCP( O1D ) = ( YC0( O1D ) + RKI( 2 ) * YCP( O3 ) * DTC ) \n & / ( 1.0D0 + O1D_S * DTC )\n\n RETURN\n\n END\n\n\n" }, { "path": "CCTM/src/gas/ebi_racm2_ae6_aq/hrg2.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\n SUBROUTINE HRG2( DTC )\nC**********************************************************************\nC\nC FUNCTION: To solve for the concentration of HO, HO2, HONO, and\nC HNO4 alebraically.\nC\nC PRECONDITIONS: For the RACM2_AE6_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 8, 2022\nC\nC 18 Jul 14 B.Hutzell: revised to use real(8) variables\nC**********************************************************************\n USE HRDATA\n\n IMPLICIT NONE\n\n\nC..INCLUDES: None\n\n\nC..ARGUMENTS:\n REAL( 8 ), INTENT( IN ) :: DTC ! Time step\n\nC..PARAMETERS: None\n\n\nC..EXTERNAL FUNCTIONS: NONE\n\n\nC..SAVED LOCAL VARIABLES:\n! CHARACTER( 16 ), SAVE :: PNAME = 'HRG2' ! Program name\n\n\nC..SCRATCH LOCAL VARIABLES:\n REAL( 8 ) :: O1D_S ! sum of O1D loss frequencies\n REAL( 8 ) :: OH_S ! stoich coeff for OH from O1D+H2O or H2\n REAL( 8 ) :: HO2_S ! stoich coeff for HO2 from O1D+H2 rxn\n REAL( 8 ) :: XOH_S ! stoich coeff for OH & HONO from NO2EX loss rxn\n REAL( 8 ) :: R4_19 ! production of OH from HONO\n REAL( 8 ) :: R19_4 ! production of HONO from OH\n REAL( 8 ) :: R4_5 ! production of OH from HO2\n REAL( 8 ) :: R5_4 ! production of HO2 from OH\n REAL( 8 ) :: R5_21 ! production of HO2 from HNO4\n REAL( 8 ) :: R21_5 ! production of HNO4 from HO2\n REAL( 8 ) :: P4, P5, P19, P21 ! species production form other paths\n REAL( 8 ) :: L4, L5, L19, L21 ! species loss terms\n\n REAL( 8 ) :: A, B, C ! coeffs of quadratic eq. for HO2\n REAL( 8 ) :: Q ! intermediate term\n\n REAL( 8 ) :: T1, T2, T3 ! intermediate terms\n\n REAL( 8 ) :: L21_INV ! reciprocal of HNO4 loss term\n\nC**********************************************************************\n\n\nc..stoichiometric coefficient for production of HOX from O3 via O1D\n O1D_S = RKI( 40 ) ! O1D=O3P\n & + RKI( 41 ) ! O1D=O3P\n & + RKI( 42 ) ! O1D=0.2000D+01*HO\n\n OH_S = 2.0000D+00 * RKI( 42 ) ! O1D=0.2000D+01*HO\n\n OH_S = OH_S / O1D_S\n\n\nc..Production of HO from HO2 (r4,5 terms )\n R4_5 = RKI( 35 ) * YC ( O3 ) ! HO2+O3=HO\n & + RKI( 50 ) * YC ( NO ) ! HO2+NO=HO+NO2\n & + 7.0000D-01 * RKI( 59 ) * YC ( NO3 ) ! HO2+NO3=0.7000D+...\n & + 4.4000D-01 * RKI( 231 ) * YC ( ACO3 ) ! HO2+ACO3=0.4400D+...\n & + 4.4000D-01 * RKI( 232 ) * YC ( RCO3 ) ! HO2+RCO3=0.4400D+...\n & + 1.5000D-01 * RKI( 233 ) * YC ( ACTP ) ! HO2+ACTP=0.1500D+...\n\n R4_5 = R4_5 * DTC\n\nc..Production of HO from HONO (r4,19 terms )\n R4_19 = RKI( 7 ) ! HONO=HO+NO\n\n R4_19 = R4_19 * DTC\n\nc..Remaining HO production\n P4 = 2.0000D+00 * RXRAT( 3 ) ! H2O2=0.2000D+01*HO\n & + RXRAT( 8 ) ! HNO3=HO+NO2\n & + 2.0000D-01 * RXRAT( 9 ) ! HNO4=0.2000D+00*HO+0.8000D+...\n & + 3.4000D-01 * RXRAT( 19 ) ! MACR=0.3400D+00*HO+0.6600D+...\n & + RXRAT( 28 ) ! OP1=HO+HO2+HCHO\n & + RXRAT( 29 ) ! OP2=HO+HO2+ALD\n & + RXRAT( 30 ) ! PAA=HO+MO2\n & + OH_S * RXRAT( 2 ) ! O1D=0.2000D+01*HO\n & + 8.0000D-02 * RXRAT( 126 ) ! ETE+O3=0.8000D-01*HO+...\n & + 2.2000D-01 * RXRAT( 127 ) ! OLT+O3=0.2200D+00*HO+...\n & + 4.6000D-01 * RXRAT( 128 ) ! OLI+O3=0.4600D+00*HO+...\n & + 2.8000D-01 * RXRAT( 129 ) ! DIEN+O3=0.2800D+00*HO+...\n & + 2.5000D-01 * RXRAT( 130 ) ! ISO+O3=0.2500D+00*HO+...\n & + 8.5000D-01 * RXRAT( 131 ) ! API+O3=0.8500D+00*HO+...\n & + 8.5000D-01 * RXRAT( 132 ) ! LIM+O3=0.8500D+00*HO+...\n & + 1.9000D-01 * RXRAT( 133 ) ! MACR+O3=0.1900D+00*HO+...\n & + 1.6000D-01 * RXRAT( 134 ) ! MVK+O3=0.1600D+00*HO+...\n & + 1.0000D-01 * RXRAT( 135 ) ! UALD+O3=0.1000D+00*HO+...\n & + 5.0000D-02 * RXRAT( 136 ) ! DCB1+O3=0.5000D-01*HO+HO2+...\n & + 5.0000D-02 * RXRAT( 137 ) ! DCB2+O3=0.5000D-01*HO+HO2+...\n & + 5.0000D-02 * RXRAT( 138 ) ! DCB3+O3=0.5000D-01*HO+HO2+...\n & + 5.0000D-02 * RXRAT( 139 ) ! EPX+O3=0.5000D-01*HO+...\n & + 5.0000D-01 * RXRAT( 157 ) ! EPX+NO3=0.5000D+00*HO+...\n & + 2.8000D-01 * RXRAT( 160 ) ! TR2=0.2800D+00*HO+0.2900D+...\n & + 4.9000D-01 * RXRAT( 161 ) ! TOLP=0.4900D+00*HO+0.1000D-...\n & + 1.5800D-01 * RXRAT( 162 ) ! XY2=0.1580D+00*HO+0.3080D+...\n & + 3.9000D-01 * RXRAT( 163 ) ! XYLP=0.3900D+00*HO+0.1000D-...\n & + 1.5800D-01 * RXRAT( 164 ) ! XYO2=0.1580D+00*HO+0.3080D+...\n & + 3.9000D-01 * RXRAT( 165 ) ! XYOP=0.3900D+00*HO+0.1000D-...\n\n P4 = YC0( HO ) + P4 * DTC\n\nc..Production of HO2 from OH ( r5,4 terms )\n R5_4 = RKI( 34 ) * YC ( O3 ) ! HO+O3=HO2\n & + RKI( 43 ) ! HO=HO2\n & + RKI( 47 ) * YC ( H2O2 ) ! HO+H2O2=HO2\n & + RKI( 58 ) * YC ( NO3 ) ! HO+NO3=HO2+NO2\n & + RKI( 69 ) * YC ( SO2 ) ! HO+SO2=HO2+SULF+...\n & + RKI( 70 ) * YC ( CO ) ! HO+CO=HO2\n & + 4.9000D-02 * RKI( 75 ) * YC ( HC8 ) ! HO+HC8=0.4900D-...\n & + 3.5000D-01 * RKI( 80 ) * YC ( ACE ) ! HO+ACE=0.3500D+...\n & + 6.4800D-01 * RKI( 81 ) * YC ( BENZENE ) ! HO+BENZENE=...\n & + 1.7700D-01 * RKI( 82 ) * YC ( TOL ) ! HO+TOL=0.1770D+...\n & + 1.7700D-01 * RKI( 83 ) * YC ( XYM ) ! HO+XYM=0.1770D+...\n & + 1.7700D-01 * RKI( 84 ) * YC ( XYP ) ! HO+XYP=0.1770D+...\n & + 1.7700D-01 * RKI( 85 ) * YC ( XYO ) ! HO+XYO=0.1770D+...\n & + RKI( 89 ) * YC ( HCHO ) ! HO+HCHO=HO2+CO\n & + RKI( 95 ) * YC ( HKET ) ! HO+HKET=HO2+MGLY\n & + RKI( 99 ) * YC ( GLY ) ! HO+GLY=HO2+...\n & + 5.2000D-01 * RKI( 101 ) * YC ( DCB1 ) ! HO+DCB1=0.5200D+...\n & + 5.2000D-01 * RKI( 102 ) * YC ( DCB2 ) ! HO+DCB2=0.5200D+...\n & + 5.6000D-01 * RKI( 103 ) * YC ( DCB3 ) ! HO+DCB3=0.5600D+...\n & + 7.3000D-01 * RKI( 105 ) * YC ( PHEN ) ! HO+PHEN=0.7300D+...\n & + 7.3000D-01 * RKI( 106 ) * YC ( CSL ) ! HO+CSL=0.7300D+...\n & + RKI( 107 ) * YC ( EPX ) ! HO+EPX=HO2+XO2+...\n & + RKI( 109 ) * YC ( MOH ) ! HO+MOH=HO2+HCHO\n & + RKI( 110 ) * YC ( EOH ) ! HO+EOH=HO2+ACD\n & + RKI( 111 ) * YC ( ROH ) ! HO+ROH=HO2+...\n & + RKI( 112 ) * YC ( ETEG ) ! HO+ETEG=HO2+ALD\n & + RKI( 117 ) * YC ( ORA1 ) ! HO+ORA1=HO2\n\n R5_4 = R5_4 * DTC\n\nc..Production of HO2 from HNO4 (r5,21 term )\n R5_21 = 8.0000D-01 * RKI( 9 ) ! HNO4=0.8000D+...\n & + RKI( 67 ) ! HNO4=HO2+NO2\n\n R5_21 = R5_21 * DTC\n\nc..Remaining HO2 production terms\n P5 = 2.0000D+00 * RXRAT( 11 ) ! HCHO=0.2000D+01*HO2+CO\n & + RXRAT( 12 ) ! ACD=HO2+MO2+CO\n & + RXRAT( 13 ) ! ALD=HO2+ETHP+CO\n & + 1.2200D+00 * RXRAT( 15 ) ! UALD=0.1220D+01*HO2+...\n & + RXRAT( 18 ) ! HKET=HO2+ACO3+HCHO\n & + 6.6000D-01 * RXRAT( 19 ) ! MACR=0.6600D+00*HO2+...\n & + 2.0000D+00 * RXRAT( 23 ) ! GLY=0.2000D+01*HO2+0.2000D+...\n & + RXRAT( 24 ) ! MGLY=HO2+ACO3+CO\n & + 1.5000D+00 * RXRAT( 25 ) ! DCB1=0.1500D+01*HO2+...\n & + 1.5000D+00 * RXRAT( 26 ) ! DCB2=0.1500D+01*HO2+...\n & + RXRAT( 27 ) ! BALD=HO2+CHO+CO\n & + RXRAT( 28 ) ! OP1=HO2+HO+HCHO\n & + RXRAT( 29 ) ! OP2=HO2+HO+ALD\n & + RXRAT( 31 ) ! ONIT=HO2+NO2+0.2000D+...\n & + 1.5000D-01 * RXRAT( 126 ) ! ETE+O3=0.1500D+00*HO2+...\n & + 3.2000D-01 * RXRAT( 127 ) ! OLT+O3=0.3200D+00*HO2+...\n & + 7.0000D-02 * RXRAT( 128 ) ! OLI+O3=0.7000D-01*HO2+...\n & + 3.0000D-01 * RXRAT( 129 ) ! DIEN+O3=0.3000D+00*HO2+...\n & + 2.5000D-01 * RXRAT( 130 ) ! ISO+O3=0.2500D+00*HO2+...\n & + 1.0000D-01 * RXRAT( 131 ) ! API+O3=0.1000D+00*HO2+...\n & + 1.0000D-01 * RXRAT( 132 ) ! LIM+O3=0.1000D+00*HO2+...\n & + 1.4000D-01 * RXRAT( 133 ) ! MACR+O3=0.1400D+00*HO2+...\n & + 1.1000D-01 * RXRAT( 134 ) ! MVK+O3=0.1100D+00*HO2+...\n & + 7.2000D-02 * RXRAT( 135 ) ! UALD+O3=0.7200D-01*HO2+...\n & + RXRAT( 136 ) ! DCB1+O3=HO2+0.5000D-01*HO+...\n & + RXRAT( 137 ) ! DCB2+O3=HO2+0.5000D-01*HO+...\n & + RXRAT( 138 ) ! DCB3+O3=HO2+0.5000D-01*HO+...\n & + 1.5000D+00 * RXRAT( 139 ) ! EPX+O3=0.1500D+01*HO2+...\n & + RXRAT( 148 ) ! HCHO+NO3=HO2+CO+HNO3\n & + RXRAT( 152 ) ! UALD+NO3=HO2+XO2+0.6680D+...\n & + RXRAT( 153 ) ! GLY+NO3=HO2+0.2000D+01*CO+HNO3\n & + 1.5000D+00 * RXRAT( 157 ) ! EPX+NO3=0.1500D+01*HO2+...\n & + 2.9000D-01 * RXRAT( 160 ) ! TR2=0.2900D+00*HO2+0.2800D+...\n & + 1.0000D-02 * RXRAT( 161 ) ! TOLP=0.1000D-01*HO2+...\n & + 3.0800D-01 * RXRAT( 162 ) ! XY2=0.3080D+00*HO2+0.1580D+...\n & + 1.0000D-02 * RXRAT( 163 ) ! XYLP=0.1000D-01*HO2+...\n & + 3.0800D-01 * RXRAT( 164 ) ! XYO2=0.3080D+00*HO2+...\n & + 1.0000D-02 * RXRAT( 165 ) ! XYOP=0.1000D-01*HO2+...\n & + RXRAT( 172 ) ! MO2+NO=HO2+NO2+HCHO\n & + RXRAT( 173 ) ! ETHP+NO=HO2+NO2+ACD\n & + 6.6000D-01 * RXRAT( 174 ) ! HC3P+NO=0.6600D+00*HO2+...\n & + 2.0000D-01 * RXRAT( 175 ) ! HC5P+NO=0.2000D+00*HO2+...\n & + 6.0600D-01 * RXRAT( 176 ) ! HC8P+NO=0.6060D+00*HO2+...\n & + RXRAT( 177 ) ! ETEP+NO=HO2+NO2+0.1600D+...\n & + 7.8000D-01 * RXRAT( 178 ) ! OLTP+NO=0.7800D+00*HO2+...\n & + 8.3000D-01 * RXRAT( 179 ) ! OLIP+NO=0.8300D+00*HO2+...\n & + 9.1800D-01 * RXRAT( 180 ) ! BENP+NO=0.9180D+00*HO2+...\n & + 9.5000D-01 * RXRAT( 182 ) ! TOLP+NO=0.9500D+00*HO2+...\n & + 5.0000D-01 * RXRAT( 183 ) ! PER1+NO=0.5000D+00*HO2+...\n & + 9.5000D-01 * RXRAT( 185 ) ! XYLP+NO=0.9500D+00*HO2+...\n & + 9.5000D-01 * RXRAT( 186 ) ! PER2+NO=0.9500D+00*HO2+...\n & + 9.5000D-01 * RXRAT( 187 ) ! XYOP+NO=0.9500D+00*HO2+...\n & + 8.8000D-01 * RXRAT( 188 ) ! ISOP+NO=0.8800D+00*HO2+...\n & + 8.2000D-01 * RXRAT( 189 ) ! APIP+NO=0.8200D+00*HO2+...\n & + RXRAT( 190 ) ! LIMP+NO=HO2+0.6800D+...\n & + 6.7000D-01 * RXRAT( 194 ) ! MEKP+NO=0.6700D+00*HO2+NO2+...\n & + 7.7000D-01 * RXRAT( 195 ) ! KETP+NO=0.7700D+00*HO2+...\n & + 5.0000D-01 * RXRAT( 197 ) ! MCP+NO=0.5000D+00*HO2+NO2+...\n & + 3.0000D-01 * RXRAT( 198 ) ! MVKP+NO=0.3000D+00*HO2+...\n & + RXRAT( 199 ) ! UALP+NO=HO2+NO2+0.6100D+...\n & + RXRAT( 202 ) ! ADDC+NO=HO2+NO2+0.3200D+...\n & + RXRAT( 204 ) ! ORAP+NO=HO2+GLY+NO2\n & + RXRAT( 205 ) ! OLNN+NO=HO2+NO2+ONIT\n & + 7.4000D-01 * RXRAT( 248 ) ! MO2+MO2=0.7400D+00*HO2+...\n & + RXRAT( 249 ) ! ETHP+MO2=HO2+0.7500D+...\n & + 8.9400D-01 * RXRAT( 250 ) ! HC3P+MO2=0.8940D+00*HO2+...\n & + 8.4200D-01 * RXRAT( 251 ) ! HC5P+MO2=0.8420D+00*HO2+...\n & + 9.1000D-01 * RXRAT( 252 ) ! HC8P+MO2=0.9100D+00*HO2+...\n & + RXRAT( 253 ) ! ETEP+MO2=HO2+0.1950D+...\n & + RXRAT( 254 ) ! OLTP+MO2=HO2+0.1500D+...\n & + RXRAT( 255 ) ! OLIP+MO2=HO2+0.7500D+...\n & + 1.6000D+00 * RXRAT( 256 ) ! BENP+MO2=0.1600D+01*HO2+...\n & + RXRAT( 257 ) ! TLP1+MO2=HO2+HCHO+BALD\n & + 2.0000D+00 * RXRAT( 258 ) ! TOLP+MO2=0.2000D+01*HO2+...\n & + 2.0000D+00 * RXRAT( 259 ) ! PER1+MO2=0.2000D+01*HO2+...\n & + RXRAT( 260 ) ! XYL1+MO2=HO2+HCHO+BALD\n & + 2.0000D+00 * RXRAT( 261 ) ! XYLP+MO2=0.2000D+01*HO2+...\n & + 2.0000D+00 * RXRAT( 262 ) ! PER2+MO2=0.2000D+01*HO2+...\n & + 2.0000D+00 * RXRAT( 263 ) ! XYOP+MO2=0.2000D+01*HO2+...\n & + RXRAT( 264 ) ! ISOP+MO2=HO2+0.1310D+...\n & + RXRAT( 265 ) ! APIP+MO2=HO2+0.7500D+...\n & + RXRAT( 266 ) ! LIMP+MO2=HO2+0.1040D+...\n & + 9.0000D-01 * RXRAT( 267 ) ! ACO3+MO2=0.9000D+00*HO2+...\n & + 9.0000D-01 * RXRAT( 268 ) ! RCO3+MO2=0.9000D+00*HO2+...\n & + 5.0000D-01 * RXRAT( 269 ) ! ACTP+MO2=0.5000D+00*HO2+...\n & + 8.3400D-01 * RXRAT( 270 ) ! MEKP+MO2=0.8340D+00*HO2+...\n & + RXRAT( 271 ) ! KETP+MO2=HO2+0.7500D+...\n & + 5.0000D-01 * RXRAT( 272 ) ! MACP+MO2=0.5000D+00*HO2+...\n & + RXRAT( 273 ) ! MCP+MO2=HO2+NO2+0.1500D+...\n & + RXRAT( 274 ) ! MVKP+MO2=HO2+0.1160D+...\n & + RXRAT( 275 ) ! UALP+MO2=HO2+0.3050D+00*CO+...\n & + RXRAT( 276 ) ! BALP+MO2=HO2+BAL1+HCHO\n & + RXRAT( 277 ) ! BAL1+MO2=HO2+BAL2+HCHO\n & + 2.0000D+00 * RXRAT( 278 ) ! ADDC+MO2=0.2000D+01*HO2+...\n & + RXRAT( 279 ) ! MCTP+MO2=HO2+MCTO+HCHO\n & + RXRAT( 280 ) ! ORAP+MO2=HO2+HCHO+GLY\n & + 2.0000D+00 * RXRAT( 281 ) ! OLNN+MO2=0.2000D+01*HO2+...\n & + 5.0000D-01 * RXRAT( 282 ) ! OLND+MO2=0.5000D+00*HO2+...\n & + RXRAT( 283 ) ! ADCN+MO2=HO2+0.7000D+...\n & + RXRAT( 284 ) ! XO2+MO2=HO2+HCHO\n & + 5.0000D-01 * RXRAT( 285 ) ! ETHP+ACO3=0.5000D+00*HO2+...\n & + 3.9400D-01 * RXRAT( 286 ) ! HC3P+ACO3=0.3940D+00*HO2+...\n & + 3.4200D-01 * RXRAT( 287 ) ! HC5P+ACO3=0.3420D+00*HO2+...\n & + 3.0300D-01 * RXRAT( 288 ) ! HC8P+ACO3=0.3030D+00*HO2+...\n & + 5.0000D-01 * RXRAT( 289 ) ! ETEP+ACO3=0.5000D+00*HO2+...\n & + 5.0000D-01 * RXRAT( 290 ) ! OLTP+ACO3=0.5000D+00*HO2+...\n & + 5.0000D-01 * RXRAT( 291 ) ! OLIP+ACO3=0.5000D+00*HO2+...\n & + 6.0000D-01 * RXRAT( 292 ) ! BENP+ACO3=0.6000D+00*HO2+...\n & + RXRAT( 294 ) ! TOLP+ACO3=HO2+MO2+DCB2\n & + RXRAT( 295 ) ! PER1+ACO3=HO2+MO2+MGLY+DCB1\n & + RXRAT( 297 ) ! XYLP+ACO3=HO2+MO2+DCB2\n & + RXRAT( 298 ) ! PER2+ACO3=HO2+MO2+MGLY+...\n & + RXRAT( 299 ) ! XYOP+ACO3=HO2+MO2+0.3680D+...\n & + 5.0000D-01 * RXRAT( 300 ) ! ISOP+ACO3=0.5000D+00*HO2+...\n & + 5.0000D-01 * RXRAT( 301 ) ! APIP+ACO3=0.5000D+00*HO2+...\n & + 5.0000D-01 * RXRAT( 302 ) ! LIMP+ACO3=0.5000D+00*HO2+...\n & + 3.3000D-01 * RXRAT( 306 ) ! MEKP+ACO3=0.3300D+00*HO2+...\n & + 5.0000D-01 * RXRAT( 307 ) ! KETP+ACO3=0.5000D+00*HO2+...\n & + 5.0000D-01 * RXRAT( 309 ) ! MCP+ACO3=0.5000D+00*HO2+...\n & + 5.0000D-01 * RXRAT( 310 ) ! MVKP+ACO3=0.5000D+00*HO2+...\n & + 5.0000D-01 * RXRAT( 311 ) ! UALP+ACO3=0.5000D+00*HO2+...\n & + 2.0000D+00 * RXRAT( 314 ) ! ADDC+ACO3=0.2000D+01*HO2+...\n & + RXRAT( 315 ) ! MCTP+ACO3=HO2+MO2+MCTO\n & + RXRAT( 317 ) ! OLNN+ACO3=HO2+MO2+ONIT\n & + RXRAT( 319 ) ! ADCN+ACO3=HO2+MO2+0.7000D+...\n & + RXRAT( 322 ) ! MO2+NO3=HO2+HCHO+NO2\n & + RXRAT( 323 ) ! ETHP+NO3=HO2+NO2+ACD\n & + 2.5400D-01 * RXRAT( 324 ) ! HC3P+NO3=0.2540D+00*HO2+...\n & + 4.8800D-01 * RXRAT( 325 ) ! HC5P+NO3=0.4880D+00*HO2+...\n & + 8.2000D-01 * RXRAT( 326 ) ! HC8P+NO3=0.8200D+00*HO2+...\n & + RXRAT( 327 ) ! ETEP+NO3=HO2+NO2+0.1600D+...\n & + 7.9000D-01 * RXRAT( 328 ) ! OLTP+NO3=0.7900D+00*HO2+...\n & + 8.6000D-01 * RXRAT( 329 ) ! OLIP+NO3=0.8600D+00*HO2+...\n & + RXRAT( 330 ) ! BENP+NO3=HO2+NO2+0.5000D+...\n & + RXRAT( 332 ) ! TOLP+NO3=HO2+NO2+DCB2\n & + 5.0000D-01 * RXRAT( 333 ) ! PER1+NO3=0.5000D+00*HO2+...\n & + RXRAT( 335 ) ! XYLP+NO3=HO2+NO2+DCB3\n & + RXRAT( 336 ) ! PER2+NO3=HO2+NO2+MGLY+DCB1+...\n & + RXRAT( 337 ) ! XYOP+NO3=HO2+NO2+0.3680D+...\n & + RXRAT( 338 ) ! ISOP+NO3=HO2+NO2+0.7500D+...\n & + RXRAT( 339 ) ! APIP+NO3=HO2+NO2+ALD+KET\n & + RXRAT( 340 ) ! LIMP+NO3=HO2+NO2+0.3850D+...\n & + 6.7000D-01 * RXRAT( 344 ) ! MEKP+NO3=0.6700D+00*HO2+...\n & + RXRAT( 345 ) ! KETP+NO3=HO2+NO2+DCB1\n & + RXRAT( 347 ) ! MCP+NO3=HO2+NO2+HCHO+HKET\n & + 3.0000D-01 * RXRAT( 348 ) ! MVKP+NO3=0.3000D+00*HO2+...\n & + RXRAT( 349 ) ! UALP+NO3=HO2+NO2+0.6100D+...\n & + RXRAT( 352 ) ! ADDC+NO3=HO2+NO2+0.3200D+...\n & + RXRAT( 354 ) ! ORAP+NO3=HO2+GLY+NO2\n & + RXRAT( 355 ) ! OLNN+NO3=HO2+NO2+ONIT\n & + RXRAT( 358 ) ! OLNN+OLNN=HO2+0.2000D+01*ONIT\n & + 5.0000D-01 * RXRAT( 359 ) ! OLNN+OLND=0.5000D+00*HO2+...\n\n P5 = YC0( HO2 ) + P5 * DTC\n\nc..Production of HONO from OH (r19,4 terms )\n\n R19_4 = RKI( 49 ) * YC( NO ) * DTC ! OH+NO=HONO\n\nc..Remaining HONO production terms\n P19 = 5.0000D-01 * RXRAT( 379 ) ! NO2=0.5000D+00*HONO+...\n\n P19 = YC0( HONO ) + P19 * DTC\n\nc..Production of HNO4 from HO2 (r21,5 term )\n\n R21_5 = RKI( 66 ) * YCP( NO2 ) * DTC ! HO2+NO2=HNO4\n\nc..Remaining HNO4 production terms\n P21 = YC0( HNO4 )\n\nc..HO loss terms not in R5_4 & R19_4\n L4 = RKI( 44 ) * YC ( HO2 ) ! HO+HO2=\n & + RKI( 53 ) * YC ( HONO ) ! HO+HONO=NO2\n & + RKI( 56 ) * YC ( NO2 ) ! HO+NO2=HNO3\n & + RKI( 57 ) * YC ( HNO3 ) ! HO+HNO3=NO3\n & + RKI( 68 ) * YC ( HNO4 ) ! HO+HNO4=NO2\n & + RKI( 71 ) ! HO=MO2\n & + RKI( 72 ) * YC ( ETH ) ! HO+ETH=ETHP\n & + RKI( 73 ) * YC ( HC3 ) ! HO+HC3=HC3P\n & + RKI( 74 ) * YC ( HC5 ) ! HO+HC5=HC5P\n & + 9.5100D-01 * RKI( 75 ) * YC ( HC8 ) ! HO+HC8=0.4900D-...\n & + RKI( 76 ) * YC ( ETE ) ! HO+ETE=ETEP\n & + RKI( 77 ) * YC ( OLT ) ! HO+OLT=OLTP\n & + RKI( 78 ) * YC ( OLI ) ! HO+OLI=OLIP\n & + RKI( 79 ) * YC ( DIEN ) ! HO+DIEN=OLIP\n & + 3.5200D-01 * RKI( 81 ) * YC ( BENZENE ) ! HO+BENZENE=...\n & + 8.2300D-01 * RKI( 82 ) * YC ( TOL ) ! HO+TOL=0.1770D+...\n & + 8.2300D-01 * RKI( 83 ) * YC ( XYM ) ! HO+XYM=0.1770D+...\n & + 8.2300D-01 * RKI( 84 ) * YC ( XYP ) ! HO+XYP=0.1770D+...\n & + 8.2300D-01 * RKI( 85 ) * YC ( XYO ) ! HO+XYO=0.1770D+...\n & + RKI( 86 ) * YC ( ISO ) ! HO+ISO=ISOP+ISOPRXN\n & + RKI( 87 ) * YC ( API ) ! HO+API=APIP+TRPRXN\n & + RKI( 88 ) * YC ( LIM ) ! HO+LIM=LIMP+TRPRXN\n & + RKI( 90 ) * YC ( ACD ) ! HO+ACD=ACO3\n & + RKI( 91 ) * YC ( ALD ) ! HO+ALD=RCO3\n & + RKI( 92 ) * YC ( ACT ) ! HO+ACT=ACTP\n & + RKI( 93 ) * YC ( MEK ) ! HO+MEK=MEKP\n & + RKI( 94 ) * YC ( KET ) ! HO+KET=KETP\n & + RKI( 96 ) * YC ( MACR ) ! HO+MACR=0.5700D+...\n & + RKI( 97 ) * YC ( MVK ) ! HO+MVK=MVKP\n & + RKI( 98 ) * YC ( UALD ) ! HO+UALD=0.3130D+...\n & + RKI( 100 ) * YC ( MGLY ) ! HO+MGLY=ACO3+CO\n & + 4.8000D-01 * RKI( 101 ) * YC ( DCB1 ) ! HO+DCB1=0.5200D+...\n & + 4.8000D-01 * RKI( 102 ) * YC ( DCB2 ) ! HO+DCB2=0.5200D+...\n & + 4.4000D-01 * RKI( 103 ) * YC ( DCB3 ) ! HO+DCB3=0.5600D+...\n & + RKI( 104 ) * YC ( BALD ) ! HO+BALD=BALP\n & + 2.7000D-01 * RKI( 105 ) * YC ( PHEN ) ! HO+PHEN=0.7300D+...\n & + 2.7000D-01 * RKI( 106 ) * YC ( CSL ) ! HO+CSL=0.7300D+...\n & + RKI( 108 ) * YC ( MCT ) ! HO+MCT=MCTO\n & + 6.5000D-01 * RKI( 113 ) * YC ( OP1 ) ! HO+OP1=0.3500D+...\n & + 9.9000D-01 * RKI( 114 ) * YC ( OP2 ) ! HO+OP2=0.1000D-...\n & + RKI( 116 ) * YC ( MAHP ) ! HO+MAHP=MACP\n & + RKI( 118 ) * YC ( ORA2 ) ! HO+ORA2=0.6400D+...\n & + 6.5000D-01 * RKI( 119 ) * YC ( PAA ) ! HO+PAA=0.3500D+...\n & + RKI( 120 ) * YC ( PAN ) ! HO+PAN=XO2+NO3+HCHO\n & + RKI( 121 ) * YC ( PPN ) ! HO+PPN=XO2+NO3+HCHO\n & + RKI( 122 ) * YC ( MPAN ) ! HO+MPAN=NO2+HKET\n & + RKI( 123 ) * YC ( ONIT ) ! HO+ONIT=HC3P+NO2\n & + RKI( 124 ) * YC ( NALD ) ! HO+NALD=NO2+XO2+HKET\n & + RKI( 125 ) * YC ( ISON ) ! HO+ISON=NALD+...\n\n L4 = 1.0D0 + L4 * DTC + R5_4 + R19_4\n\nc..HO2 loss terms not included in R4_5 & R21_5 (except for HO2+HO2 )\n L5 = RKI( 44 ) * YC ( HO ) ! HO2+HO=\n & + RKI( 51 ) * YC ( NO ) ! HO2+NO=HNO3\n & + 3.0000D-01 * RKI( 59 ) * YC ( NO3 ) ! HO2+NO3=0.7000D+...\n & + RKI( 212 ) * YC ( MO2 ) ! HO2+MO2=OP1\n & + RKI( 213 ) * YC ( ETHP ) ! HO2+ETHP=OP2\n & + RKI( 214 ) * YC ( HC3P ) ! HO2+HC3P=OP2\n & + RKI( 215 ) * YC ( HC5P ) ! HO2+HC5P=OP2\n & + RKI( 216 ) * YC ( HC8P ) ! HO2+HC8P=OP2\n & + RKI( 217 ) * YC ( ETEP ) ! HO2+ETEP=OP2\n & + RKI( 218 ) * YC ( OLTP ) ! HO2+OLTP=OP2\n & + RKI( 219 ) * YC ( OLIP ) ! HO2+OLIP=OP2\n & + RKI( 220 ) * YC ( BENP ) ! HO2+BENP=OP2\n & + RKI( 221 ) * YC ( TLP1 ) ! HO2+TLP1=OP2\n & + RKI( 222 ) * YC ( TOLP ) ! HO2+TOLP=OP2\n & + RKI( 223 ) * YC ( PER1 ) ! HO2+PER1=OP2\n & + RKI( 224 ) * YC ( XYL1 ) ! HO2+XYL1=OP2\n & + RKI( 225 ) * YC ( XYLP ) ! HO2+XYLP=OP2\n & + RKI( 226 ) * YC ( PER2 ) ! HO2+PER2=OP2\n & + RKI( 227 ) * YC ( XYOP ) ! HO2+XYOP=OP2\n & + RKI( 228 ) * YC ( ISOP ) ! HO2+ISOP=ISHP\n & + RKI( 229 ) * YC ( APIP ) ! HO2+APIP=OP2\n & + RKI( 230 ) * YC ( LIMP ) ! HO2+LIMP=OP2\n & + 5.6000D-01 * RKI( 231 ) * YC ( ACO3 ) ! HO2+ACO3=0.4400D+...\n & + 5.6000D-01 * RKI( 232 ) * YC ( RCO3 ) ! HO2+RCO3=0.4400D+...\n & + 8.5000D-01 * RKI( 233 ) * YC ( ACTP ) ! HO2+ACTP=0.1500D+...\n & + RKI( 234 ) * YC ( MEKP ) ! HO2+MEKP=OP2\n & + RKI( 235 ) * YC ( KETP ) ! HO2+KETP=OP2\n & + RKI( 236 ) * YC ( MACP ) ! HO2+MACP=MAHP\n & + RKI( 237 ) * YC ( MCP ) ! HO2+MCP=MAHP\n & + RKI( 238 ) * YC ( MVKP ) ! HO2+MVKP=OP2\n & + RKI( 239 ) * YC ( UALP ) ! HO2+UALP=OP2\n & + RKI( 240 ) * YC ( ADDC ) ! HO2+ADDC=OP2\n & + RKI( 241 ) * YC ( CHO ) ! HO2+CHO=CSL\n & + RKI( 242 ) * YC ( MCTP ) ! HO2+MCTP=OP2\n & + RKI( 243 ) * YC ( ORAP ) ! HO2+ORAP=OP2\n & + RKI( 244 ) * YC ( OLNN ) ! HO2+OLNN=ONIT\n & + RKI( 245 ) * YC ( OLND ) ! HO2+OLND=ONIT\n & + RKI( 246 ) * YC ( ADCN ) ! HO2+ADCN=OP2\n & + RKI( 247 ) * YC ( XO2 ) ! HO2+XO2=OP2\n\n L5 = 1.0D0 + L5 * DTC + R4_5 + R21_5\n\nc..HONO loss terms not included in R4_19\n L19 = RKI( 53 ) * YC ( HO ) ! HONO+HO=NO2\n\n L19 = 1.0D0 + L19 * DTC + R4_19\n\nc..HNO4 loss terms not included in R5_21\n L21 = 2.0000D-01 * RKI( 9 ) ! HNO4=0.8000D+...\n & + RKI( 68 ) * YC ( HO ) ! HNO4+HO=NO2\n\n L21 = 1.0D0 + L21 * DTC + R5_21\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Solution section\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\nc..compute terms used to calculate a,b & c\n L21_INV = 1.0D0 / L21\n T1 = 1.0D0 / ( L4 * L19 - R4_19 * R19_4 )\n T2 = R5_4 * T1\n T3 = R5_21 * L21_INV\n\nc..solve quadratic equation for HO2\n A = 2.0D0 * ( RKI( 45 ) + RKI( 46 ) ) * DTC\n\n B = L5 - T3 * R21_5 - T2 * R4_5 * L19\n\n C = P5 + T3 * P21 + T2 * ( P4 * L19 + P19 * R4_19 )\n\n Q = -0.5D0 * ( B + SIGN( 1.0D0, B ) * SQRT( B * B + 4.0D0 * A * C ) )\n\n YCP( HO2 ) = MAX( Q / A , -C / Q )\n\nc..compute remaining species concentrations\n YCP( HO ) = ( ( P4 + R4_5 * YCP( HO2 ) ) * L19 + R4_19 * P19 ) * T1\n\n YCP( HNO4 ) = ( P21 + R21_5 * YCP( HO2 ) ) * L21_INV\n\n YCP( HONO ) = ( P19 + R19_4 * YCP( HO ) ) / L19\n\n RETURN\n\n END\n\n\n" }, { "path": "CCTM/src/gas/ebi_racm2_ae6_aq/hrg3.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE HRG3( DTC )\n\nC**********************************************************************\nC\nC FUNCTION: To solve for the concentration of C2O3 and PAN\nC\nC PRECONDITIONS: For the RACM2_AE6_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 8, 2022\nC\nC 18 Jul 14 B.Hutzell: revised to use real(8) variables\nC**********************************************************************\n USE HRDATA\n\n IMPLICIT NONE\n\nC..INCLUDES: NONE\n\nC..ARGUMENTS:\n REAL( 8 ), INTENT( IN ) :: DTC ! Time step\n\n\nC..PARAMETERS: NONE\n\n\nC..EXTERNAL FUNCTIONS: NONE\n\n\nC..SAVED LOCAL VARIABLES:\n! CHARACTER( 16 ), SAVE :: PNAME = 'HRG3' ! Program name\n\n\nC..SCRATCH LOCAL VARIABLES:\n REAL( 8 ) :: A, B, C, Q ! Quadratic equation terms\n REAL( 8 ) :: CMN ! Temp scalar\n REAL( 8 ) :: L8 ! Loss of CCO_O2\n REAL( 8 ) :: L9 ! Loss of PAN\n REAL( 8 ) :: P8 ! Production of CCO_O2\n\n REAL( 8 ) :: K8_8 ! Kaco3+aco3 * delta t\n REAL( 8 ) :: R8_9 ! Kpan-->aco3 * delta t\n REAL( 8 ) :: R9_8 ! Kaco3+no2-->pan * [NO2] * delta t\n\nC**********************************************************************\n\n\nc..Production of ACO3 (except from PAN )\n P8 = RXRAT( 14 ) ! ACT=ACO3+MO2\n & + 7.8400D-01 * RXRAT( 15 ) ! UALD=0.7840D+00*ACO3+...\n & + RXRAT( 16 ) ! MEK=ACO3+0.5000D+00*ETHP+...\n & + RXRAT( 17 ) ! KET=ACO3+ETHP\n & + RXRAT( 18 ) ! HKET=ACO3+HO2+HCHO\n & + 6.7000D-01 * RXRAT( 19 ) ! MACR=0.6700D+00*ACO3+...\n & + RXRAT( 24 ) ! MGLY=ACO3+HO2+CO\n & + 2.5000D-01 * RXRAT( 25 ) ! DCB1=0.2500D+00*ACO3+...\n & + 2.5000D-01 * RXRAT( 26 ) ! DCB2=0.2500D+00*ACO3+...\n & + RXRAT( 90 ) ! ACD+HO=ACO3\n & + 3.1300D-01 * RXRAT( 98 ) ! UALD+HO=0.3130D+00*ACO3+...\n & + RXRAT( 100 ) ! MGLY+HO=ACO3+CO\n & + 6.5000D-01 * RXRAT( 119 ) ! PAA+HO=0.6500D+00*ACO3+...\n & + 9.0000D-02 * RXRAT( 128 ) ! OLI+O3=0.9000D-01*ACO3+...\n & + 1.5000D-01 * RXRAT( 129 ) ! DIEN+O3=0.1500D+00*ACO3+...\n & + 1.0000D-01 * RXRAT( 130 ) ! ISO+O3=0.1000D+00*ACO3+...\n & + 1.0000D-01 * RXRAT( 133 ) ! MACR+O3=0.1000D+00*ACO3+...\n & + 2.8000D-01 * RXRAT( 134 ) ! MVK+O3=0.2800D+00*ACO3+...\n & + 2.0000D-03 * RXRAT( 135 ) ! UALD+O3=0.2000D-02*ACO3+...\n & + RXRAT( 149 ) ! ACD+NO3=ACO3+HNO3\n & + RXRAT( 154 ) ! MGLY+NO3=ACO3+CO+HNO3\n & + RXRAT( 193 ) ! ACTP+NO=ACO3+NO2+HCHO\n & + 2.3000D-01 * RXRAT( 195 ) ! KETP+NO=0.2300D+00*ACO3+...\n & + 3.5000D-01 * RXRAT( 196 ) ! MACP+NO=0.3500D+00*ACO3+...\n & + 7.0000D-01 * RXRAT( 198 ) ! MVKP+NO=0.7000D+00*ACO3+...\n & + 1.5000D-01 * RXRAT( 233 ) ! ACTP+HO2=0.1500D+00*ACO3+...\n & + 5.0000D-01 * RXRAT( 269 ) ! ACTP+MO2=0.5000D+00*ACO3+...\n & + 2.6900D-01 * RXRAT( 272 ) ! MACP+MO2=0.2690D+00*ACO3+...\n & + 1.1600D+00 * RXRAT( 274 ) ! MVKP+MO2=0.1160D+01*ACO3+...\n & + 1.6000D-01 * RXRAT( 310 ) ! MVKP+ACO3=0.1160D+01*ACO3+...\n & + RXRAT( 343 ) ! ACTP+NO3=ACO3+NO2+HCHO\n & + 5.3800D-01 * RXRAT( 346 ) ! MACP+NO3=0.5380D+00*ACO3+...\n & + 7.0000D-01 * RXRAT( 348 ) ! MVKP+NO3=0.7000D+00*ACO3+...\n\nc..Loss frequency of ACO3 ( not including ACO3 + ACO3 )\n L8 = RKI( 166 ) * YC ( NO2 ) ! ACO3+NO2=PAN\n & + RKI( 191 ) * YC ( NO ) ! ACO3+NO=MO2+NO2\n & + RKI( 231 ) * YC ( HO2 ) ! ACO3+HO2=0.4400D+...\n & + RKI( 267 ) * YC ( MO2 ) ! ACO3+MO2=0.9000D+...\n & + RKI( 285 ) * YC ( ETHP ) ! ACO3+ETHP=...\n & + RKI( 286 ) * YC ( HC3P ) ! ACO3+HC3P=...\n & + RKI( 287 ) * YC ( HC5P ) ! ACO3+HC5P=...\n & + RKI( 288 ) * YC ( HC8P ) ! ACO3+HC8P=...\n & + RKI( 289 ) * YC ( ETEP ) ! ACO3+ETEP=...\n & + RKI( 290 ) * YC ( OLTP ) ! ACO3+OLTP=...\n & + RKI( 291 ) * YC ( OLIP ) ! ACO3+OLIP=...\n & + RKI( 292 ) * YC ( BENP ) ! ACO3+BENP=...\n & + RKI( 293 ) * YC ( TLP1 ) ! ACO3+TLP1=MO2+BALD\n & + RKI( 294 ) * YC ( TOLP ) ! ACO3+TOLP=HO2+...\n & + RKI( 295 ) * YC ( PER1 ) ! ACO3+PER1=HO2+...\n & + RKI( 296 ) * YC ( XYL1 ) ! ACO3+XYL1=MO2+BALD\n & + RKI( 297 ) * YC ( XYLP ) ! ACO3+XYLP=HO2+...\n & + RKI( 298 ) * YC ( PER2 ) ! ACO3+PER2=HO2+...\n & + RKI( 299 ) * YC ( XYOP ) ! ACO3+XYOP=HO2+...\n & + RKI( 300 ) * YC ( ISOP ) ! ACO3+ISOP=...\n & + RKI( 301 ) * YC ( APIP ) ! ACO3+APIP=...\n & + RKI( 302 ) * YC ( LIMP ) ! ACO3+LIMP=...\n & + RKI( 304 ) * YC ( RCO3 ) ! ACO3+RCO3=MO2+ETHP\n & + 5.0000D-01 * RKI( 305 ) * YC ( ACTP ) ! ACO3+ACTP=...\n & + RKI( 306 ) * YC ( MEKP ) ! ACO3+MEKP=...\n & + RKI( 307 ) * YC ( KETP ) ! ACO3+KETP=...\n & + 7.3100D-01 * RKI( 308 ) * YC ( MACP ) ! ACO3+MACP=...\n & + RKI( 309 ) * YC ( MCP ) ! ACO3+MCP=NO2+...\n & + RKI( 311 ) * YC ( UALP ) ! ACO3+UALP=...\n & + RKI( 312 ) * YC ( BALP ) ! ACO3+BALP=MO2+BAL1\n & + RKI( 313 ) * YC ( BAL1 ) ! ACO3+BAL1=MO2+BAL2\n & + RKI( 314 ) * YC ( ADDC ) ! ACO3+ADDC=...\n & + RKI( 315 ) * YC ( MCTP ) ! ACO3+MCTP=HO2+...\n & + RKI( 316 ) * YC ( ORAP ) ! ACO3+ORAP=MO2+GLY\n & + RKI( 317 ) * YC ( OLNN ) ! ACO3+OLNN=HO2+...\n & + RKI( 318 ) * YC ( OLND ) ! ACO3+OLND=...\n & + RKI( 319 ) * YC ( ADCN ) ! ACO3+ADCN=HO2+...\n & + RKI( 320 ) * YC ( XO2 ) ! ACO3+XO2=MO2\n & + RKI( 341 ) * YC ( NO3 ) ! ACO3+NO3=MO2+NO2\n\nc..Loss frequency of PAN\n L9 = RKI( 32 ) ! PAN=ACO3+NO2\n & + RKI( 33 ) ! PAN=MO2+NO3\n & + RKI( 120 ) * YC ( HO ) ! PAN+HO=XO2+NO3+HCHO\n & + RKI( 167 ) ! PAN=ACO3+NO2\n\nc..K8_8, R8_9, and R9_8 terms\n K8_8 = RKI( 303 ) * DTC\n\n R8_9 = ( RKI( 32 )\n & + RKI( 167 ) ) * DTC \n\n R9_8 = ( RKI( 166 ) * YC( NO2 ) ) * DTC \n\nc..Solution of quadratic equation to get ACO3 & PAN\n CMN = 1.0 + L9 * DTC\n A = 2.0D0 * K8_8 * CMN\n B = CMN * ( 1.0D0 + L8 * DTC ) - R8_9 * R9_8\n C = CMN * ( YC0( ACO3 ) + P8 * DTC ) + R8_9 * YC0( PAN )\n\n Q = -0.5D0 * ( B + SIGN( 1.0D0, B ) * SQRT( B * B + 4.0D0 * A * C ) )\n\n YCP( ACO3 ) = MAX( Q / A , -C / Q )\n\n YCP( PAN ) = ( YC0( PAN ) + R9_8 * YCP( ACO3 ) ) / CMN\n\n RETURN\n\n END\n" }, { "path": "CCTM/src/gas/ebi_racm2_ae6_aq/hrg4.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE HRG4( DTC )\n\nC**********************************************************************\nC\nC FUNCTION: To solve for the concentration of NO3 and N2O5\nC\nC PRECONDITIONS: For the RACM2_AE6_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 8, 2022\nC\nC 18 Jul 14 B.Hutzell: revised to use real(8) variables\nC**********************************************************************\n USE HRDATA\n\n IMPLICIT NONE\n\n\nC..INCLUDES: NONE\n\n\nC..ARGUMENTS:\n REAL( 8 ), INTENT( IN ) :: DTC ! Time step\n\n\nC..PARAMETERS: NONE\n\n\nC..EXTERNAL FUNCTIONS: NONE\n\n\nC..SAVED LOCAL VARIABLES:\n! CHARACTER( 16 ), SAVE :: PNAME = 'HRG4' ! Program name\n\n\nC..SCRATCH LOCAL VARIABLES:\n REAL( 8 ) :: A, B, C, Q ! Quadratic equation terms\n REAL( 8 ) :: CMN ! Temp scalar\n REAL( 8 ) :: L15 ! Loss of NO3\n REAL( 8 ) :: L16 ! Loss of N2O5\n REAL( 8 ) :: P15 ! Production of NO3\n REAL( 8 ) :: K15_15 ! Kno3+no3 * delta t\n REAL( 8 ) :: R15_16 ! Kn2o5-->no3 * delta t\n REAL( 8 ) :: R16_15 ! Kno3+no2-->n2o5[NO2] * delta t\n\n\nC**********************************************************************\n\n\nc..Production of NO3 (except from N2O5 )\n P15 = 2.0000D-01 * RKI( 9 ) * YC ( HNO4 ) ! HNO4=0.2000D+00*NO3+...\n & + RKI( 33 ) * YC ( PAN ) ! PAN=NO3+MO2\n & + RKI( 37 ) * YCP( O3 ) * YCP( NO2 ) ! O3+NO2=NO3\n & + RKI( 55 ) * YCP( NO2 ) * YCP( O3P ) ! NO2+O3P=NO3\n & + RKI( 57 ) * YC ( HNO3 ) * YCP( HO ) ! HNO3+HO=NO3\n & + RKI( 120 ) * YC ( PAN ) * YCP( HO ) ! PAN+HO=NO3+XO2+HCHO\n & + RKI( 121 ) * YC ( PPN ) * YCP( HO ) ! PPN+HO=NO3+XO2+HCHO\n\nc..Loss frequency of NO3 ( except NO3 + NO3 if present )\n L15 = RKI( 5 ) ! NO3=NO\n & + RKI( 6 ) ! NO3=O3P+NO2\n & + RKI( 58 ) * YCP( HO ) ! NO3+HO=HO2+NO2\n & + RKI( 59 ) * YCP( HO2 ) ! NO3+HO2=0.7000D+...\n & + RKI( 60 ) * YCP( NO ) ! NO3+NO=0.2000D+...\n & + RKI( 61 ) * YCP( NO2 ) ! NO3+NO2=NO+NO2\n & + RKI( 63 ) * YCP( NO2 ) ! NO3+NO2=N2O5\n & + RKI( 141 ) * YC ( ETE ) ! NO3+ETE=0.8000D+...\n & + RKI( 142 ) * YC ( OLT ) ! NO3+OLT=0.4300D+...\n & + RKI( 143 ) * YC ( OLI ) ! NO3+OLI=0.1100D+...\n & + RKI( 144 ) * YC ( DIEN ) ! NO3+DIEN=0.9000D+...\n & + RKI( 145 ) * YC ( ISO ) ! NO3+ISO=ISON+ISOPRXN\n & + RKI( 146 ) * YC ( API ) ! NO3+API=0.1000D+...\n & + RKI( 147 ) * YC ( LIM ) ! NO3+LIM=0.7100D+...\n & + RKI( 148 ) * YC ( HCHO ) ! NO3+HCHO=HO2+CO+HNO3\n & + RKI( 149 ) * YC ( ACD ) ! NO3+ACD=ACO3+HNO3\n & + RKI( 150 ) * YC ( ALD ) ! NO3+ALD=RCO3+HNO3\n & + RKI( 151 ) * YC ( MACR ) ! NO3+MACR=0.6800D+...\n & + RKI( 152 ) * YC ( UALD ) ! NO3+UALD=HO2+XO2+...\n & + RKI( 153 ) * YC ( GLY ) ! NO3+GLY=HO2+...\n & + RKI( 154 ) * YC ( MGLY ) ! NO3+MGLY=ACO3+CO+...\n & + RKI( 155 ) * YC ( PHEN ) ! NO3+PHEN=0.4000D+...\n & + RKI( 156 ) * YC ( CSL ) ! NO3+CSL=0.4000D+...\n & + RKI( 157 ) * YC ( EPX ) ! NO3+EPX=0.5000D+...\n & + RKI( 158 ) * YC ( MCT ) ! NO3+MCT=MCTO+HNO3\n & + RKI( 159 ) * YC ( MPAN ) ! NO3+MPAN=MACP+NO2\n & + RKI( 322 ) * YC ( MO2 ) ! NO3+MO2=HO2+HCHO+NO2\n & + RKI( 323 ) * YC ( ETHP ) ! NO3+ETHP=HO2+NO2+ACD\n & + RKI( 324 ) * YC ( HC3P ) ! NO3+HC3P=0.2540D+...\n & + RKI( 325 ) * YC ( HC5P ) ! NO3+HC5P=0.4880D+...\n & + RKI( 326 ) * YC ( HC8P ) ! NO3+HC8P=0.8200D+...\n & + RKI( 327 ) * YC ( ETEP ) ! NO3+ETEP=HO2+NO2+...\n & + RKI( 328 ) * YC ( OLTP ) ! NO3+OLTP=0.4700D+...\n & + RKI( 329 ) * YC ( OLIP ) ! NO3+OLIP=0.8600D+...\n & + RKI( 330 ) * YC ( BENP ) ! NO3+BENP=HO2+NO2+...\n & + RKI( 331 ) * YC ( TLP1 ) ! NO3+TLP1=NO2+BALD\n & + RKI( 332 ) * YC ( TOLP ) ! NO3+TOLP=HO2+NO2+...\n & + RKI( 333 ) * YC ( PER1 ) ! NO3+PER1=0.5000D+...\n & + RKI( 334 ) * YC ( XYL1 ) ! NO3+XYL1=NO2+BALD\n & + RKI( 335 ) * YC ( XYLP ) ! NO3+XYLP=HO2+NO2+...\n & + RKI( 336 ) * YC ( PER2 ) ! NO3+PER2=HO2+NO2+...\n & + RKI( 337 ) * YC ( XYOP ) ! NO3+XYOP=HO2+NO2+...\n & + RKI( 338 ) * YC ( ISOP ) ! NO3+ISOP=HO2+NO2+...\n & + RKI( 339 ) * YC ( APIP ) ! NO3+APIP=HO2+NO2+...\n & + RKI( 340 ) * YC ( LIMP ) ! NO3+LIMP=HO2+NO2+...\n & + RKI( 341 ) * YC ( ACO3 ) ! NO3+ACO3=MO2+NO2\n & + RKI( 342 ) * YC ( RCO3 ) ! NO3+RCO3=ETHP+NO2\n & + RKI( 343 ) * YC ( ACTP ) ! NO3+ACTP=ACO3+...\n & + RKI( 344 ) * YC ( MEKP ) ! NO3+MEKP=0.6700D+...\n & + RKI( 345 ) * YC ( KETP ) ! NO3+KETP=HO2+NO2+...\n & + RKI( 346 ) * YC ( MACP ) ! NO3+MACP=HCHO+...\n & + RKI( 347 ) * YC ( MCP ) ! NO3+MCP=NO2+HO2+...\n & + RKI( 348 ) * YC ( MVKP ) ! NO3+MVKP=0.3000D+...\n & + RKI( 349 ) * YC ( UALP ) ! NO3+UALP=HO2+NO2+...\n & + RKI( 350 ) * YC ( BALP ) ! NO3+BALP=BAL1+NO2\n & + RKI( 351 ) * YC ( BAL1 ) ! NO3+BAL1=BAL2+NO2\n & + RKI( 352 ) * YC ( ADDC ) ! NO3+ADDC=HO2+NO2+...\n & + RKI( 353 ) * YC ( MCTP ) ! NO3+MCTP=NO2+MCTO\n & + RKI( 354 ) * YC ( ORAP ) ! NO3+ORAP=NO2+GLY+HO2\n & + RKI( 355 ) * YC ( OLNN ) ! NO3+OLNN=HO2+NO2+...\n & + RKI( 356 ) * YC ( OLND ) ! NO3+OLND=0.2000D+...\n & + RKI( 357 ) * YC ( ADCN ) ! NO3+ADCN=0.2000D+...\n & + RKI( 361 ) * YC ( XO2 ) ! NO3+XO2=NO2\n\nc..Loss frequency of N2O5\n L16 = RKI( 64 ) ! N2O5=NO2+NO3\n & + RKI( 65 ) ! N2O5=0.2000D+01*HNO3\n & + RKI( 378 ) ! N2O5=0.2000D+01*HNO3\n\nc..K15_15, R15_16, and R16_15 terms\n K15_15 = RKI( 62 ) * DTC\n\n R15_16 = ( RKI( 64 ) ) * DTC \n\n\n R16_15 = RKI( 63 ) * YCP( NO2 ) * DTC\n\nc..Solution of quadratic equation to get NO3 & N2O5\n CMN = 1.0D0 + L16 * DTC\n A = 2.0D0 * K15_15 * CMN\n B = CMN * ( 1.0D0 + L15 * DTC ) - R15_16 * R16_15\n C = CMN * ( YC0( NO3 ) + P15 * DTC ) + R15_16 * YC0( N2O5 )\n\n Q = -0.5D0 * ( B + SIGN( 1.0D0, B ) * SQRT( B * B + 4.0D0 * A * C ) )\n YCP( NO3 ) = MAX( Q / A , -C / Q )\n YCP( N2O5 ) = ( YC0( N2O5 ) + R16_15 * YCP( NO3 ) ) / CMN\n\n RETURN\n\n END\n" }, { "path": "CCTM/src/gas/ebi_racm2_ae6_aq/hrinit.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\n SUBROUTINE HRINIT\nC***********************************************************************\nC\nC FUNCTION: To initialize species tolerances, arrays, and indices\nC\nC PRECONDITIONS: For the RACM2_AE6_AQ mechanism\nC\nC RETURN VALUES: None\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 8, 2022\nC 21 Jun 10 J.Young: convert for Namelist redesign\nC 18 Jul 14 B.Hutzell: revised to use the RXNS_DATA and RXNS_FUNCTION\nC modules instead of include files\nC***********************************************************************\n\n USE UTILIO_DEFN\n USE HRDATA\n USE RXNS_DATA\n USE RXNS_FUNCTION\n\n IMPLICIT NONE\n\nC.....INCLUDES:\n Include SUBST_CONST ! common constants\n\nC.....ARGUMENTS: NONE\n\nC.....PARAMETERS: NONE\n\n\nC.....SAVED VARIABLES:\n CHARACTER( 16 ), SAVE :: PNAME = 'HRINIT' ! Program name\n\n\nC.....LOCAL VARIABLES:\n CHARACTER( 132 ) :: MSG ! Log message\n\n INTEGER N ! Loop index\n INTEGER IOS ! Allocate error status\n\nC***********************************************************************\n\n N_SPEC = NUMB_MECH_SPC\n N_RXNS = NRXNS\n N_SPCL_RKS = 0\n ALLOCATE( RKI( NRXNS ),\n & RKI_SAV( MAX_CELLS_EBI, NRXNS ),\n & FORWARD_CONV( NUMB_MECH_SPC),\n & REVERSE_CONV( NUMB_MECH_SPC),\n & RXRAT( NRXNS ),\n & RTOL( NUMB_MECH_SPC),\n & YC( NUMB_MECH_SPC),\n & YC0( NUMB_MECH_SPC),\n & YCP( NUMB_MECH_SPC),\n & PROD( NUMB_MECH_SPC),\n & LOSS( NUMB_MECH_SPC),\n & STAT = IOS )\n\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating RKI, RXRAT, RTOL, YC, YC0, YCP, FORWARD_CONV, '\n & // 'REVERSE_CONV, PROD, LOSS, or PNEG'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n ALLOCATE( ATMPRES( MAX_CELLS_EBI ),\n & H2O ( MAX_CELLS_EBI ),\n & TEMP ( MAX_CELLS_EBI ),\n & DENSITY( MAX_CELLS_EBI ),\n & HET ( MAX_CELLS_EBI, NHETERO ),\n & RJIN ( MAX_CELLS_EBI, NPHOTAB ),\n & SEAWATER ( MAX_CELLS_EBI ) ,\n & STAT = IOS )\n\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating ATMPRES, H2O, TEMP, HET, RJIN, SEAWATER '\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n IF( NSPECIAL .GT. 0 )THEN\n ALLOCATE( SYC( MAX_CELLS_EBI, NUMB_MECH_SPC ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating SYC'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n ALLOCATE( IOLD2NEW( NUMB_MECH_SPC, 1 ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating IOLD2NEW'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n DO N = 1, NUMB_MECH_SPC\n IOLD2NEW( N, 1 ) = N\n END DO\n END IF\n\n IF( .NOT. MAP_CHEMISTRY_SPECIES() )THEN\n MSG = 'Detected above error(s) when mapping Chemistry species from CGRID species'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n\n DO N = 1, NUMB_MECH_SPC\n FORWARD_CONV( N ) = 1.0E-3 * MWAIR / SPECIES_MOLWT( N )\n REVERSE_CONV( N ) = 1.0E+3 / MWAIR * SPECIES_MOLWT( N )\n END DO\n\n! initialize all reaction rates to zero so unused array elements are defined\n\n RXRAT = 0.0D0\n\n! initialize all production and loss rates to zero so unused array elements are defined\n\n PROD = 0.0D0\n LOSS = 0.0D0\n\n NING1 = 4\n NING2 = 4\n\n ALLOCATE( YCCELL( MODEL_SPECIES), STAT = IOS ) ! array for degradation routines\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating YCCELL '\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n\nc..Allocate and define ebi species\n\n N_EBISP = 155\n ALLOCATE( EBISP( N_EBISP ), STAT = IOS ) \n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating EBISP' \n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n EBISP( 1 ) = H2O2\n EBISP( 2 ) = HNO3\n EBISP( 3 ) = HCHO\n EBISP( 4 ) = CO\n EBISP( 5 ) = ACD\n EBISP( 6 ) = MO2\n EBISP( 7 ) = ALD\n EBISP( 8 ) = ETHP\n EBISP( 9 ) = ACT\n EBISP( 10 ) = UALD\n EBISP( 11 ) = KET\n EBISP( 12 ) = MEK\n EBISP( 13 ) = HKET\n EBISP( 14 ) = MACR\n EBISP( 15 ) = MACP\n EBISP( 16 ) = XO2\n EBISP( 17 ) = MVK\n EBISP( 18 ) = GLY\n EBISP( 19 ) = MGLY\n EBISP( 20 ) = DCB1\n EBISP( 21 ) = DCB2\n EBISP( 22 ) = BALD\n EBISP( 23 ) = CHO\n EBISP( 24 ) = OP1\n EBISP( 25 ) = OP2\n EBISP( 26 ) = PAA\n EBISP( 27 ) = ONIT\n EBISP( 28 ) = SO2\n EBISP( 29 ) = SULF\n EBISP( 30 ) = SULRXN\n EBISP( 31 ) = ETH\n EBISP( 32 ) = HC3\n EBISP( 33 ) = HC3P\n EBISP( 34 ) = HC5\n EBISP( 35 ) = HC5P\n EBISP( 36 ) = HC8\n EBISP( 37 ) = HC8P\n EBISP( 38 ) = ETE\n EBISP( 39 ) = ETEP\n EBISP( 40 ) = OLT\n EBISP( 41 ) = OLTP\n EBISP( 42 ) = OLI\n EBISP( 43 ) = OLIP\n EBISP( 44 ) = DIEN\n EBISP( 45 ) = ACE\n EBISP( 46 ) = ORA1\n EBISP( 47 ) = BENZENE\n EBISP( 48 ) = BENP\n EBISP( 49 ) = EPX\n EBISP( 50 ) = PHEN\n EBISP( 51 ) = BENZRO2\n EBISP( 52 ) = TOL\n EBISP( 53 ) = TR2\n EBISP( 54 ) = TLP1\n EBISP( 55 ) = CSL\n EBISP( 56 ) = TOLRO2\n EBISP( 57 ) = XYM\n EBISP( 58 ) = XY2\n EBISP( 59 ) = XYL1\n EBISP( 60 ) = XYLRO2\n EBISP( 61 ) = XYP\n EBISP( 62 ) = XYO\n EBISP( 63 ) = XYO2\n EBISP( 64 ) = ISO\n EBISP( 65 ) = ISOP\n EBISP( 66 ) = ISOPRXN\n EBISP( 67 ) = API\n EBISP( 68 ) = APIP\n EBISP( 69 ) = TRPRXN\n EBISP( 70 ) = LIM\n EBISP( 71 ) = LIMP\n EBISP( 72 ) = RCO3\n EBISP( 73 ) = ACTP\n EBISP( 74 ) = MEKP\n EBISP( 75 ) = KETP\n EBISP( 76 ) = MCP\n EBISP( 77 ) = MVKP\n EBISP( 78 ) = UALP\n EBISP( 79 ) = DCB3\n EBISP( 80 ) = BALP\n EBISP( 81 ) = ADDC\n EBISP( 82 ) = MCT\n EBISP( 83 ) = MCTO\n EBISP( 84 ) = MOH\n EBISP( 85 ) = EOH\n EBISP( 86 ) = ROH\n EBISP( 87 ) = ETEG\n EBISP( 88 ) = ISHP\n EBISP( 89 ) = IEPOX\n EBISP( 90 ) = MAHP\n EBISP( 91 ) = ORA2\n EBISP( 92 ) = ORAP\n EBISP( 93 ) = PPN\n EBISP( 94 ) = MPAN\n EBISP( 95 ) = NALD\n EBISP( 96 ) = ISON\n EBISP( 97 ) = MCTP\n EBISP( 98 ) = OLNN\n EBISP( 99 ) = OLND\n EBISP( 100 ) = ADCN\n EBISP( 101 ) = TOLP\n EBISP( 102 ) = PER1\n EBISP( 103 ) = XYLP\n EBISP( 104 ) = PER2\n EBISP( 105 ) = XYOP\n EBISP( 106 ) = BAL1\n EBISP( 107 ) = BAL2\n EBISP( 108 ) = TOLNRXN\n EBISP( 109 ) = TOLHRXN\n EBISP( 110 ) = XYLNRXN\n EBISP( 111 ) = XYLHRXN\n EBISP( 112 ) = BNZNRXN\n EBISP( 113 ) = BNZHRXN\n EBISP( 114 ) = SESQ\n EBISP( 115 ) = SESQRXN\n EBISP( 116 ) = NAPH\n EBISP( 117 ) = PAHRO2\n EBISP( 118 ) = PAHNRXN\n EBISP( 119 ) = PAHHRXN\n EBISP( 120 ) = SOAALK\n EBISP( 121 ) = ALKRXN\n EBISP( 122 ) = AISO3J\n EBISP( 123 ) = AXYL1J\n EBISP( 124 ) = AOLGAJ\n EBISP( 125 ) = AXYL2J\n EBISP( 126 ) = ATOL1J\n EBISP( 127 ) = ATOL2J\n EBISP( 128 ) = ABNZ1J\n EBISP( 129 ) = ABNZ2J\n EBISP( 130 ) = ATRP1J\n EBISP( 131 ) = AOLGBJ\n EBISP( 132 ) = ATRP2J\n EBISP( 133 ) = AISO1J\n EBISP( 134 ) = AISO2J\n EBISP( 135 ) = ASQTJ\n EBISP( 136 ) = APAH1J\n EBISP( 137 ) = APAH2J\n EBISP( 138 ) = AALK1J\n EBISP( 139 ) = AALK2J\n EBISP( 140 ) = APOCI\n EBISP( 141 ) = APNCOMI\n EBISP( 142 ) = APOCJ\n EBISP( 143 ) = APNCOMJ\n EBISP( 144 ) = PCVOC\n EBISP( 145 ) = PCSOARXN\n EBISP( 146 ) = VLVPO1\n EBISP( 147 ) = VSVPO1\n EBISP( 148 ) = VSVPO2\n EBISP( 149 ) = VSVPO3\n EBISP( 150 ) = VIVPO1\n EBISP( 151 ) = VLVOO1\n EBISP( 152 ) = VLVOO2\n EBISP( 153 ) = VSVOO2\n EBISP( 154 ) = VSVOO3\n EBISP( 155 ) = VSVOO1\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Set species tolerances\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n RTOL( O3 ) = 5.0D-04\n RTOL( O3P ) = 1.0D+00\n RTOL( O1D ) = 1.0D+00\n RTOL( H2O2 ) = 5.0D-04\n RTOL( HO ) = 5.0D-04\n RTOL( NO2 ) = 5.0D-04\n RTOL( NO ) = 5.0D-04\n RTOL( NO3 ) = 5.0D-04\n RTOL( HONO ) = 5.0D-04\n RTOL( HNO3 ) = 5.0D-04\n RTOL( HNO4 ) = 5.0D-04\n RTOL( HO2 ) = 5.0D-04\n RTOL( HCHO ) = 5.0D-04\n RTOL( CO ) = 5.0D-04\n RTOL( ACD ) = 5.0D-04\n RTOL( MO2 ) = 5.0D-04\n RTOL( ALD ) = 5.0D-04\n RTOL( ETHP ) = 5.0D-04\n RTOL( ACT ) = 5.0D-04\n RTOL( ACO3 ) = 5.0D-04\n RTOL( UALD ) = 5.0D-04\n RTOL( KET ) = 5.0D-04\n RTOL( MEK ) = 5.0D-04\n RTOL( HKET ) = 5.0D-04\n RTOL( MACR ) = 5.0D-04\n RTOL( MACP ) = 5.0D-04\n RTOL( XO2 ) = 5.0D-04\n RTOL( MVK ) = 5.0D-04\n RTOL( GLY ) = 5.0D-04\n RTOL( MGLY ) = 5.0D-04\n RTOL( DCB1 ) = 5.0D-04\n RTOL( DCB2 ) = 5.0D-04\n RTOL( BALD ) = 5.0D-04\n RTOL( CHO ) = 5.0D-04\n RTOL( OP1 ) = 5.0D-04\n RTOL( OP2 ) = 5.0D-04\n RTOL( PAA ) = 5.0D-04\n RTOL( ONIT ) = 5.0D-04\n RTOL( PAN ) = 5.0D-04\n RTOL( N2O5 ) = 5.0D-04\n RTOL( SO2 ) = 5.0D-04\n RTOL( SULF ) = 1.0D+00\n RTOL( SULRXN ) = 1.0D+00\n RTOL( ETH ) = 5.0D-04\n RTOL( HC3 ) = 5.0D-04\n RTOL( HC3P ) = 5.0D-04\n RTOL( HC5 ) = 5.0D-04\n RTOL( HC5P ) = 5.0D-04\n RTOL( HC8 ) = 5.0D-04\n RTOL( HC8P ) = 5.0D-04\n RTOL( ETE ) = 5.0D-04\n RTOL( ETEP ) = 5.0D-04\n RTOL( OLT ) = 5.0D-04\n RTOL( OLTP ) = 5.0D-04\n RTOL( OLI ) = 5.0D-04\n RTOL( OLIP ) = 5.0D-04\n RTOL( DIEN ) = 5.0D-04\n RTOL( ACE ) = 5.0D-04\n RTOL( ORA1 ) = 5.0D-04\n RTOL( BENZENE ) = 5.0D-04\n RTOL( BENP ) = 5.0D-04\n RTOL( EPX ) = 5.0D-04\n RTOL( PHEN ) = 5.0D-04\n RTOL( BENZRO2 ) = 5.0D-04\n RTOL( TOL ) = 5.0D-04\n RTOL( TR2 ) = 5.0D-04\n RTOL( TLP1 ) = 5.0D-04\n RTOL( CSL ) = 5.0D-04\n RTOL( TOLRO2 ) = 5.0D-04\n RTOL( XYM ) = 5.0D-04\n RTOL( XY2 ) = 5.0D-04\n RTOL( XYL1 ) = 5.0D-04\n RTOL( XYLRO2 ) = 5.0D-04\n RTOL( XYP ) = 5.0D-04\n RTOL( XYO ) = 5.0D-04\n RTOL( XYO2 ) = 5.0D-04\n RTOL( ISO ) = 5.0D-04\n RTOL( ISOP ) = 5.0D-04\n RTOL( ISOPRXN ) = 1.0D+00\n RTOL( API ) = 5.0D-04\n RTOL( APIP ) = 5.0D-04\n RTOL( TRPRXN ) = 1.0D+00\n RTOL( LIM ) = 5.0D-04\n RTOL( LIMP ) = 5.0D-04\n RTOL( RCO3 ) = 5.0D-04\n RTOL( ACTP ) = 5.0D-04\n RTOL( MEKP ) = 5.0D-04\n RTOL( KETP ) = 5.0D-04\n RTOL( MCP ) = 5.0D-04\n RTOL( MVKP ) = 5.0D-04\n RTOL( UALP ) = 5.0D-04\n RTOL( DCB3 ) = 5.0D-04\n RTOL( BALP ) = 5.0D-04\n RTOL( ADDC ) = 5.0D-04\n RTOL( MCT ) = 5.0D-04\n RTOL( MCTO ) = 5.0D-04\n RTOL( MOH ) = 5.0D-04\n RTOL( EOH ) = 5.0D-04\n RTOL( ROH ) = 5.0D-04\n RTOL( ETEG ) = 5.0D-04\n RTOL( ISHP ) = 5.0D-04\n RTOL( IEPOX ) = 5.0D-04\n RTOL( MAHP ) = 5.0D-04\n RTOL( ORA2 ) = 5.0D-04\n RTOL( ORAP ) = 5.0D-04\n RTOL( PPN ) = 5.0D-04\n RTOL( MPAN ) = 5.0D-04\n RTOL( NALD ) = 5.0D-04\n RTOL( ISON ) = 5.0D-04\n RTOL( MCTP ) = 5.0D-04\n RTOL( OLNN ) = 5.0D-04\n RTOL( OLND ) = 5.0D-04\n RTOL( ADCN ) = 5.0D-04\n RTOL( TOLP ) = 5.0D-04\n RTOL( PER1 ) = 5.0D-04\n RTOL( XYLP ) = 5.0D-04\n RTOL( PER2 ) = 5.0D-04\n RTOL( XYOP ) = 5.0D-04\n RTOL( BAL1 ) = 5.0D-04\n RTOL( BAL2 ) = 5.0D-04\n RTOL( TOLNRXN ) = 1.0D+00\n RTOL( TOLHRXN ) = 1.0D+00\n RTOL( XYLNRXN ) = 1.0D+00\n RTOL( XYLHRXN ) = 1.0D+00\n RTOL( BNZNRXN ) = 1.0D+00\n RTOL( BNZHRXN ) = 1.0D+00\n RTOL( SESQ ) = 5.0D-04\n RTOL( SESQRXN ) = 1.0D+00\n RTOL( NAPH ) = 5.0D-04\n RTOL( PAHRO2 ) = 1.0D+00\n RTOL( PAHNRXN ) = 1.0D+00\n RTOL( PAHHRXN ) = 1.0D+00\n RTOL( SOAALK ) = 5.0D-04\n RTOL( ALKRXN ) = 1.0D+00\n RTOL( AISO3J ) = 5.0D-04\n RTOL( AXYL1J ) = 5.0D-04\n RTOL( AOLGAJ ) = 5.0D-04\n RTOL( AXYL2J ) = 5.0D-04\n RTOL( ATOL1J ) = 5.0D-04\n RTOL( ATOL2J ) = 5.0D-04\n RTOL( ABNZ1J ) = 5.0D-04\n RTOL( ABNZ2J ) = 5.0D-04\n RTOL( ATRP1J ) = 5.0D-04\n RTOL( AOLGBJ ) = 5.0D-04\n RTOL( ATRP2J ) = 5.0D-04\n RTOL( AISO1J ) = 5.0D-04\n RTOL( AISO2J ) = 5.0D-04\n RTOL( ASQTJ ) = 5.0D-04\n RTOL( APAH1J ) = 5.0D-04\n RTOL( APAH2J ) = 5.0D-04\n RTOL( AALK1J ) = 5.0D-04\n RTOL( AALK2J ) = 5.0D-04\n RTOL( APOCI ) = 5.0D-04\n RTOL( APNCOMI ) = 5.0D-04\n RTOL( APOCJ ) = 5.0D-04\n RTOL( APNCOMJ ) = 5.0D-04\n RTOL( PCVOC ) = 5.0D-04\n RTOL( PCSOARXN ) = 5.0D-04\n RTOL( VLVPO1 ) = 5.0D-04\n RTOL( VSVPO1 ) = 5.0D-04\n RTOL( VSVPO2 ) = 5.0D-04\n RTOL( VSVPO3 ) = 5.0D-04\n RTOL( VIVPO1 ) = 5.0D-04\n RTOL( VLVOO1 ) = 5.0D-04\n RTOL( VLVOO2 ) = 5.0D-04\n RTOL( VSVOO2 ) = 5.0D-04\n RTOL( VSVOO3 ) = 5.0D-04\n RTOL( VSVOO1 ) = 5.0D-04\n\n\n RETURN\n\n END\n" }, { "path": "CCTM/src/gas/ebi_racm2_ae6_aq/hrprodloss.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE HRPRODLOSS\n\nC***********************************************************************\nC\nC FUNCTION: To compute the production and loss rates for EBI species\nC\nC PRECONDITIONS: For the RACM2_AE6_AQ mechanism\nC\nC RETURN VALUES: None\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 8, 2022\nC\nC 18 Jul 14 B.Hutzell: revised to use real(8) variables\n\nC***********************************************************************\n USE HRDATA\n\n IMPLICIT NONE\n\n\nC.....INCLUDES: NONE\n\n\nC.....ARGUMENTS: NONE\n\n\nC.....PARAMETERS: NONE\n\n\nC.....EXTERNAL FUNCTIONS: NONE\n\n\nC.....SAVED VARIABLES: NONE\n! CHARACTER( 16 ), SAVE :: PNAME = 'HRPRODLOSS' ! Program name\n\n\nC.....LOCAL VARIABLES:\n\n\nC***********************************************************************\n\n\n PROD( H2O2 ) = RXRAT( 45 ) ! HO2+HO2=H2O2\n & + RXRAT( 46 ) ! HO2+HO2=H2O2\n & + 6.8000D-02 * RXRAT( 127 ) ! OLT+O3=0.6800D-01*H2O2+...\n & + 2.6000D-02 * RXRAT( 128 ) ! OLI+O3=0.2600D-01*H2O2+...\n & + 1.0000D-03 * RXRAT( 129 ) ! DIEN+O3=0.1000D-02*H2O2+...\n & + 9.0000D-02 * RXRAT( 130 ) ! ISO+O3=0.9000D-01*H2O2+...\n & + 2.0000D-02 * RXRAT( 131 ) ! API+O3=0.2000D-01*H2O2+...\n & + 2.0000D-02 * RXRAT( 132 ) ! LIM+O3=0.2000D-01*H2O2+...\n LOSS( H2O2 ) = RXRAT( 3 ) ! H2O2=0.2000D+01*HO\n & + RXRAT( 47 ) ! H2O2+HO=HO2\n\n PROD( HNO3 ) = RXRAT( 51 ) ! NO+HO2=HNO3\n & + RXRAT( 56 ) ! NO2+HO=HNO3\n & + 3.0000D-01 * RXRAT( 59 ) ! NO3+HO2=0.3000D+00*HNO3+...\n & + 2.0000D+00 * RXRAT( 65 ) ! N2O5=0.2000D+01*HNO3\n & + RXRAT( 148 ) ! HCHO+NO3=HNO3+CO+HO2\n & + RXRAT( 149 ) ! ACD+NO3=HNO3+ACO3\n & + RXRAT( 150 ) ! ALD+NO3=HNO3+RCO3\n & + 3.2000D-01 * RXRAT( 151 ) ! MACR+NO3=0.3200D+00*HNO3+...\n & + RXRAT( 153 ) ! GLY+NO3=HNO3+0.2000D+01*CO+HO2\n & + RXRAT( 154 ) ! MGLY+NO3=HNO3+CO+ACO3\n & + 5.0000D-01 * RXRAT( 155 ) ! PHEN+NO3=0.5000D+00*HNO3+...\n & + 5.0000D-01 * RXRAT( 156 ) ! CSL+NO3=0.5000D+00*HNO3+...\n & + 5.0000D-01 * RXRAT( 157 ) ! EPX+NO3=0.5000D+00*HNO3+...\n & + RXRAT( 158 ) ! MCT+NO3=HNO3+MCTO\n & + 2.0000D+00 * RXRAT( 378 ) ! N2O5=0.2000D+01*HNO3\n & + 5.0000D-01 * RXRAT( 379 ) ! NO2=0.5000D+00*HNO3+...\n LOSS( HNO3 ) = RXRAT( 8 ) ! HNO3=HO+NO2\n & + RXRAT( 57 ) ! HNO3+HO=NO3\n\n PROD( HCHO ) = 3.5000D-01 * RXRAT( 15 ) ! UALD=0.3500D+00*HCHO+...\n & + RXRAT( 18 ) ! HKET=HCHO+ACO3+HO2\n & + 6.7000D-01 * RXRAT( 19 ) ! MACR=0.6700D+00*HCHO+...\n & + RXRAT( 22 ) ! GLY=HCHO+CO\n & + RXRAT( 28 ) ! OP1=HCHO+HO2+HO\n & + RXRAT( 109 ) ! MOH+HO=HCHO+HO2\n & + 3.5000D-01 * RXRAT( 113 ) ! OP1+HO=0.3500D+00*HCHO+...\n & + 3.5000D-01 * RXRAT( 119 ) ! PAA+HO=0.3500D+00*HCHO+...\n & + RXRAT( 120 ) ! PAN+HO=HCHO+NO3+XO2\n & + RXRAT( 121 ) ! PPN+HO=HCHO+NO3+XO2\n & + 7.0000D-02 * RXRAT( 125 ) ! ISON+HO=0.7000D-01*HCHO+...\n & + RXRAT( 126 ) ! ETE+O3=HCHO+0.1500D+00*HO2+...\n & + 5.6000D-01 * RXRAT( 127 ) ! OLT+O3=0.5600D+00*HCHO+...\n & + 9.0000D-02 * RXRAT( 128 ) ! OLI+O3=0.9000D-01*HCHO+...\n & + 9.0000D-01 * RXRAT( 129 ) ! DIEN+O3=0.9000D+00*HCHO+...\n & + 5.8000D-01 * RXRAT( 130 ) ! ISO+O3=0.5800D+00*HCHO+...\n & + 4.0000D-02 * RXRAT( 132 ) ! LIM+O3=0.4000D-01*HCHO+...\n & + 1.0000D-01 * RXRAT( 134 ) ! MVK+O3=0.1000D+00*HCHO+...\n & + 8.0000D-02 * RXRAT( 135 ) ! UALD+O3=0.8000D-01*HCHO+...\n & + 5.0000D-02 * RXRAT( 136 ) ! DCB1+O3=0.5000D-01*HCHO+...\n & + 5.0000D-02 * RXRAT( 137 ) ! DCB2+O3=0.5000D-01*HCHO+...\n & + 6.8000D-01 * RXRAT( 151 ) ! MACR+NO3=0.6800D+00*HCHO+...\n & + 3.3200D-01 * RXRAT( 152 ) ! UALD+NO3=0.3320D+00*HCHO+...\n & + RXRAT( 172 ) ! MO2+NO=HCHO+NO2+HO2\n & + 1.8000D-02 * RXRAT( 175 ) ! HC5P+NO=0.1800D-01*HCHO+...\n & + 1.6000D+00 * RXRAT( 177 ) ! ETEP+NO=0.1600D+01*HCHO+...\n & + 7.8000D-01 * RXRAT( 178 ) ! OLTP+NO=0.7800D+00*HCHO+...\n & + 2.0000D-01 * RXRAT( 188 ) ! ISOP+NO=0.2000D+00*HCHO+...\n & + 2.3000D-01 * RXRAT( 189 ) ! APIP+NO=0.2300D+00*HCHO+...\n & + 4.3000D-01 * RXRAT( 190 ) ! LIMP+NO=0.4300D+00*HCHO+...\n & + RXRAT( 193 ) ! ACTP+NO=HCHO+NO2+ACO3\n & + 3.3000D-01 * RXRAT( 194 ) ! MEKP+NO=0.3300D+00*HCHO+...\n & + 6.5000D-01 * RXRAT( 196 ) ! MACP+NO=0.6500D+00*HCHO+...\n & + 5.0000D-01 * RXRAT( 197 ) ! MCP+NO=0.5000D+00*HCHO+...\n & + 3.0000D-01 * RXRAT( 198 ) ! MVKP+NO=0.3000D+00*HCHO+...\n & + 3.0000D-02 * RXRAT( 199 ) ! UALP+NO=0.3000D-01*HCHO+...\n & + 2.8700D-01 * RXRAT( 206 ) ! OLND+NO=0.2870D+00*HCHO+...\n & + 1.5000D-01 * RXRAT( 233 ) ! ACTP+HO2=0.1500D+00*HCHO+...\n & + 1.3700D+00 * RXRAT( 248 ) ! MO2+MO2=0.1370D+01*HCHO+...\n & + 7.5000D-01 * RXRAT( 249 ) ! ETHP+MO2=0.7500D+00*HCHO+...\n & + 8.2700D-01 * RXRAT( 250 ) ! HC3P+MO2=0.8270D+00*HCHO+...\n & + 7.7700D-01 * RXRAT( 251 ) ! HC5P+MO2=0.7770D+00*HCHO+...\n & + 7.5000D-01 * RXRAT( 252 ) ! HC8P+MO2=0.7500D+00*HCHO+...\n & + 1.9500D+00 * RXRAT( 253 ) ! ETEP+MO2=0.1950D+01*HCHO+...\n & + 1.5000D+00 * RXRAT( 254 ) ! OLTP+MO2=0.1500D+01*HCHO+...\n & + 7.5000D-01 * RXRAT( 255 ) ! OLIP+MO2=0.7500D+00*HCHO+...\n & + RXRAT( 256 ) ! BENP+MO2=HCHO+0.4590D+...\n & + RXRAT( 257 ) ! TLP1+MO2=HCHO+HO2+BALD\n & + RXRAT( 258 ) ! TOLP+MO2=HCHO+0.2000D+...\n & + RXRAT( 259 ) ! PER1+MO2=HCHO+0.2000D+...\n & + RXRAT( 260 ) ! XYL1+MO2=HCHO+HO2+BALD\n & + RXRAT( 261 ) ! XYLP+MO2=HCHO+0.2000D+...\n & + RXRAT( 262 ) ! PER2+MO2=HCHO+0.2000D+...\n & + RXRAT( 263 ) ! XYOP+MO2=HCHO+0.2000D+...\n & + 1.3100D+00 * RXRAT( 264 ) ! ISOP+MO2=0.1310D+01*HCHO+...\n & + 7.5000D-01 * RXRAT( 265 ) ! APIP+MO2=0.7500D+00*HCHO+...\n & + 1.0400D+00 * RXRAT( 266 ) ! LIMP+MO2=0.1040D+01*HCHO+...\n & + RXRAT( 267 ) ! ACO3+MO2=HCHO+0.9000D+...\n & + RXRAT( 268 ) ! RCO3+MO2=HCHO+0.9000D+...\n & + 1.5000D+00 * RXRAT( 269 ) ! ACTP+MO2=0.1500D+01*HCHO+...\n & + RXRAT( 270 ) ! MEKP+MO2=HCHO+0.8340D+...\n & + 7.5000D-01 * RXRAT( 271 ) ! KETP+MO2=0.7500D+00*HCHO+...\n & + 1.6600D+00 * RXRAT( 272 ) ! MACP+MO2=0.1660D+01*HCHO+...\n & + 1.5000D+00 * RXRAT( 273 ) ! MCP+MO2=0.1500D+01*HCHO+...\n & + 1.5000D+00 * RXRAT( 274 ) ! MVKP+MO2=0.1500D+01*HCHO+...\n & + 7.7300D-01 * RXRAT( 275 ) ! UALP+MO2=0.7730D+00*HCHO+...\n & + RXRAT( 276 ) ! BALP+MO2=HCHO+BAL1+HO2\n & + RXRAT( 277 ) ! BAL1+MO2=HCHO+BAL2+HO2\n & + RXRAT( 278 ) ! ADDC+MO2=HCHO+0.2000D+...\n & + RXRAT( 279 ) ! MCTP+MO2=HCHO+MCTO+HO2\n & + RXRAT( 280 ) ! ORAP+MO2=HCHO+HO2+GLY\n & + RXRAT( 281 ) ! OLNN+MO2=HCHO+0.2000D+...\n & + 9.6500D-01 * RXRAT( 282 ) ! OLND+MO2=0.9650D+00*HCHO+...\n & + RXRAT( 283 ) ! ADCN+MO2=HCHO+0.7000D+...\n & + RXRAT( 284 ) ! XO2+MO2=HCHO+HO2\n & + 1.3000D-01 * RXRAT( 286 ) ! HC3P+ACO3=0.1300D+00*HCHO+...\n & + 4.2000D-02 * RXRAT( 287 ) ! HC5P+ACO3=0.4200D-01*HCHO+...\n & + 1.6000D+00 * RXRAT( 289 ) ! ETEP+ACO3=0.1600D+01*HCHO+...\n & + RXRAT( 290 ) ! OLTP+ACO3=HCHO+0.5000D+...\n & + 1.0480D+00 * RXRAT( 300 ) ! ISOP+ACO3=0.1048D+01*HCHO+...\n & + 3.8500D-01 * RXRAT( 302 ) ! LIMP+ACO3=0.3850D+00*HCHO+...\n & + RXRAT( 305 ) ! ACTP+ACO3=HCHO+0.5000D+...\n & + 3.3000D-01 * RXRAT( 306 ) ! MEKP+ACO3=0.3300D+00*HCHO+...\n & + RXRAT( 308 ) ! MACP+ACO3=HCHO+0.5000D+...\n & + RXRAT( 309 ) ! MCP+ACO3=HCHO+0.5000D+...\n & + RXRAT( 310 ) ! MVKP+ACO3=HCHO+0.5000D+...\n & + 3.0000D-02 * RXRAT( 311 ) ! UALP+ACO3=0.3000D-01*HCHO+...\n & + 2.8700D-01 * RXRAT( 318 ) ! OLND+ACO3=0.2870D+00*HCHO+...\n & + RXRAT( 322 ) ! MO2+NO3=HCHO+HO2+NO2\n & + 2.4000D-02 * RXRAT( 325 ) ! HC5P+NO3=0.2400D-01*HCHO+...\n & + 1.6000D+00 * RXRAT( 327 ) ! ETEP+NO3=0.1600D+01*HCHO+...\n & + 7.9000D-01 * RXRAT( 328 ) ! OLTP+NO3=0.7900D+00*HCHO+...\n & + 7.5000D-01 * RXRAT( 338 ) ! ISOP+NO3=0.7500D+00*HCHO+...\n & + 3.8500D-01 * RXRAT( 340 ) ! LIMP+NO3=0.3850D+00*HCHO+...\n & + RXRAT( 343 ) ! ACTP+NO3=HCHO+NO2+ACO3\n & + 3.3000D-01 * RXRAT( 344 ) ! MEKP+NO3=0.3300D+00*HCHO+...\n & + RXRAT( 346 ) ! MACP+NO3=HCHO+0.5380D+...\n & + RXRAT( 347 ) ! MCP+NO3=HCHO+HO2+NO2+HKET\n & + 3.0000D-01 * RXRAT( 348 ) ! MVKP+NO3=0.3000D+00*HCHO+...\n & + 3.0000D-02 * RXRAT( 349 ) ! UALP+NO3=0.3000D-01*HCHO+...\n & + 2.8700D-01 * RXRAT( 356 ) ! OLND+NO3=0.2870D+00*HCHO+...\n & + 2.0200D-01 * RXRAT( 359 ) ! OLNN+OLND=0.2020D+00*HCHO+...\n & + 5.0400D-01 * RXRAT( 360 ) ! OLND+OLND=0.5040D+00*HCHO+...\n LOSS( HCHO ) = RXRAT( 10 ) ! HCHO=CO\n & + RXRAT( 11 ) ! HCHO=0.2000D+01*HO2+CO\n & + RXRAT( 89 ) ! HCHO+HO=HO2+CO\n & + RXRAT( 148 ) ! HCHO+NO3=HO2+CO+HNO3\n\n PROD( CO ) = RXRAT( 10 ) ! HCHO=CO\n & + RXRAT( 11 ) ! HCHO=CO+0.2000D+01*HO2\n & + RXRAT( 12 ) ! ACD=CO+MO2+HO2\n & + RXRAT( 13 ) ! ALD=CO+ETHP+HO2\n & + 1.2200D+00 * RXRAT( 15 ) ! UALD=0.1220D+01*CO+0.7840D+...\n & + 6.7000D-01 * RXRAT( 19 ) ! MACR=0.6700D+00*CO+0.6600D+...\n & + 7.0000D-01 * RXRAT( 20 ) ! MVK=0.7000D+00*CO+0.3000D+...\n & + 2.0000D+00 * RXRAT( 21 ) ! GLY=0.2000D+01*CO\n & + RXRAT( 22 ) ! GLY=CO+HCHO\n & + 2.0000D+00 * RXRAT( 23 ) ! GLY=0.2000D+01*CO+0.2000D+...\n & + RXRAT( 24 ) ! MGLY=CO+ACO3+HO2\n & + RXRAT( 25 ) ! DCB1=CO+0.2500D+00*ACO3+...\n & + RXRAT( 26 ) ! DCB2=CO+0.2500D+00*ACO3+...\n & + RXRAT( 27 ) ! BALD=CO+HO2+CHO\n & + 3.5000D-01 * RXRAT( 80 ) ! ACE+HO=0.3500D+00*CO+...\n & + RXRAT( 89 ) ! HCHO+HO=CO+HO2\n & + 2.0000D+00 * RXRAT( 99 ) ! GLY+HO=0.2000D+01*CO+HO2\n & + RXRAT( 100 ) ! MGLY+HO=CO+ACO3\n & + 3.3000D-01 * RXRAT( 101 ) ! DCB1+HO=0.3300D+00*CO+...\n & + 3.3000D-01 * RXRAT( 102 ) ! DCB2+HO=0.3300D+00*CO+...\n & + 1.1000D-01 * RXRAT( 103 ) ! DCB3+HO=0.1100D+00*CO+...\n & + RXRAT( 107 ) ! EPX+HO=CO+XO2+HO2+ALD\n & + 4.3000D-01 * RXRAT( 126 ) ! ETE+O3=0.4300D+00*CO+...\n & + 4.3000D-01 * RXRAT( 127 ) ! OLT+O3=0.4300D+00*CO+...\n & + 3.7000D-01 * RXRAT( 128 ) ! OLI+O3=0.3700D+00*CO+...\n & + 3.6000D-01 * RXRAT( 129 ) ! DIEN+O3=0.3600D+00*CO+...\n & + 1.4000D-01 * RXRAT( 130 ) ! ISO+O3=0.1400D+00*CO+...\n & + 1.4000D-01 * RXRAT( 131 ) ! API+O3=0.1400D+00*CO+...\n & + 1.4000D-01 * RXRAT( 132 ) ! LIM+O3=0.1400D+00*CO+...\n & + 2.2000D-01 * RXRAT( 133 ) ! MACR+O3=0.2200D+00*CO+...\n & + 5.6000D-01 * RXRAT( 134 ) ! MVK+O3=0.5600D+00*CO+...\n & + 2.4300D-01 * RXRAT( 135 ) ! UALD+O3=0.2430D+00*CO+...\n & + 1.5000D+00 * RXRAT( 136 ) ! DCB1+O3=0.1500D+01*CO+HO2+...\n & + 1.5000D+00 * RXRAT( 137 ) ! DCB2+O3=0.1500D+01*CO+HO2+...\n & + 1.5000D+00 * RXRAT( 138 ) ! DCB3+O3=0.1500D+01*CO+HO2+...\n & + 1.5000D+00 * RXRAT( 139 ) ! EPX+O3=0.1500D+01*CO+...\n & + RXRAT( 148 ) ! HCHO+NO3=CO+HO2+HNO3\n & + 6.6800D-01 * RXRAT( 152 ) ! UALD+NO3=0.6680D+00*CO+XO2+...\n & + 2.0000D+00 * RXRAT( 153 ) ! GLY+NO3=0.2000D+01*CO+HO2+HNO3\n & + RXRAT( 154 ) ! MGLY+NO3=CO+ACO3+HNO3\n & + 1.5000D+00 * RXRAT( 157 ) ! EPX+NO3=0.1500D+01*CO+...\n & + 6.5000D-01 * RXRAT( 196 ) ! MACP+NO=0.6500D+00*CO+...\n & + 6.1000D-01 * RXRAT( 199 ) ! UALP+NO=0.6100D+00*CO+NO2+...\n & + 5.0000D-01 * RXRAT( 272 ) ! MACP+MO2=0.5000D+00*CO+...\n & + 3.0500D-01 * RXRAT( 275 ) ! UALP+MO2=0.3050D+00*CO+HO2+...\n & + 5.0000D-01 * RXRAT( 308 ) ! MACP+ACO3=0.5000D+00*CO+...\n & + 5.0000D-01 * RXRAT( 311 ) ! UALP+ACO3=0.5000D+00*CO+...\n & + RXRAT( 346 ) ! MACP+NO3=CO+0.5380D+...\n & + 6.1000D-01 * RXRAT( 349 ) ! UALP+NO3=0.6100D+00*CO+NO2+...\n LOSS( CO ) = RXRAT( 70 ) ! CO+HO=HO2\n\n PROD( ACD ) = RXRAT( 110 ) ! EOH+HO=ACD+HO2\n & + 1.8400D-01 * RXRAT( 111 ) ! ROH+HO=0.1840D+00*ACD+...\n & + 1.0000D-02 * RXRAT( 127 ) ! OLT+O3=0.1000D-01*ACD+...\n & + 4.5700D-01 * RXRAT( 128 ) ! OLI+O3=0.4570D+00*ACD+...\n & + 4.2000D-01 * RXRAT( 135 ) ! UALD+O3=0.4200D+00*ACD+...\n & + RXRAT( 173 ) ! ETHP+NO=ACD+NO2+HO2\n & + 5.0400D-01 * RXRAT( 174 ) ! HC3P+NO=0.5040D+00*ACD+...\n & + 4.5000D-02 * RXRAT( 175 ) ! HC5P+NO=0.4500D-01*ACD+...\n & + 1.2000D-02 * RXRAT( 178 ) ! OLTP+NO=0.1200D-01*ACD+...\n & + 8.1000D-01 * RXRAT( 179 ) ! OLIP+NO=0.8100D+00*ACD+...\n & + 7.5000D-01 * RXRAT( 249 ) ! ETHP+MO2=0.7500D+00*ACD+...\n & + RXRAT( 285 ) ! ETHP+ACO3=ACD+0.5000D+...\n & + RXRAT( 323 ) ! ETHP+NO3=ACD+NO2+HO2\n & + 5.1900D-01 * RXRAT( 324 ) ! HC3P+NO3=0.5190D+00*ACD+...\n & + 4.8000D-02 * RXRAT( 325 ) ! HC5P+NO3=0.4800D-01*ACD+...\n & + 2.0000D-02 * RXRAT( 328 ) ! OLTP+NO3=0.2000D-01*ACD+...\n & + 8.5000D-01 * RXRAT( 329 ) ! OLIP+NO3=0.8500D+00*ACD+...\n LOSS( ACD ) = RXRAT( 12 ) ! ACD=HO2+MO2+CO\n & + RXRAT( 90 ) ! ACD+HO=ACO3\n & + RXRAT( 149 ) ! ACD+NO3=ACO3+HNO3\n\n PROD( MO2 ) = RXRAT( 12 ) ! ACD=MO2+HO2+CO\n & + RXRAT( 14 ) ! ACT=MO2+ACO3\n & + 5.0000D-01 * RXRAT( 16 ) ! MEK=0.5000D+00*MO2+0.5000D+...\n & + 3.0000D-01 * RXRAT( 20 ) ! MVK=0.3000D+00*MO2+0.3000D+...\n & + RXRAT( 30 ) ! PAA=MO2+HO\n & + RXRAT( 33 ) ! PAN=MO2+NO3\n & + RXRAT( 71 ) ! HO=MO2\n & + 6.5000D-01 * RXRAT( 113 ) ! OP1+HO=0.6500D+00*MO2+...\n & + 6.4000D-01 * RXRAT( 118 ) ! ORA2+HO=0.6400D+00*MO2+...\n & + 8.0000D-02 * RXRAT( 127 ) ! OLT+O3=0.8000D-01*MO2+...\n & + 3.2000D-01 * RXRAT( 128 ) ! OLI+O3=0.3200D+00*MO2+...\n & + 3.0000D-02 * RXRAT( 129 ) ! DIEN+O3=0.3000D-01*MO2+...\n & + 8.0000D-02 * RXRAT( 130 ) ! ISO+O3=0.8000D-01*MO2+...\n & + 8.0000D-03 * RXRAT( 135 ) ! UALD+O3=0.8000D-02*MO2+...\n & + 1.3100D-01 * RXRAT( 174 ) ! HC3P+NO=0.1310D+00*MO2+...\n & + 5.1000D-02 * RXRAT( 175 ) ! HC5P+NO=0.5100D-01*MO2+...\n & + RXRAT( 191 ) ! ACO3+NO=MO2+NO2\n & + 6.5000D-01 * RXRAT( 196 ) ! MACP+NO=0.6500D+00*MO2+...\n & + 4.4000D-01 * RXRAT( 231 ) ! ACO3+HO2=0.4400D+00*MO2+...\n & + 5.0000D-01 * RXRAT( 285 ) ! ETHP+ACO3=0.5000D+00*MO2+...\n & + 5.8000D-01 * RXRAT( 286 ) ! HC3P+ACO3=0.5800D+00*MO2+...\n & + 5.1800D-01 * RXRAT( 287 ) ! HC5P+ACO3=0.5180D+00*MO2+...\n & + 5.0000D-01 * RXRAT( 288 ) ! HC8P+ACO3=0.5000D+00*MO2+...\n & + 5.0000D-01 * RXRAT( 289 ) ! ETEP+ACO3=0.5000D+00*MO2+...\n & + 5.0000D-01 * RXRAT( 290 ) ! OLTP+ACO3=0.5000D+00*MO2+...\n & + 5.0000D-01 * RXRAT( 291 ) ! OLIP+ACO3=0.5000D+00*MO2+...\n & + RXRAT( 292 ) ! BENP+ACO3=MO2+0.6000D+...\n & + RXRAT( 293 ) ! TLP1+ACO3=MO2+BALD\n & + RXRAT( 294 ) ! TOLP+ACO3=MO2+HO2+DCB2\n & + RXRAT( 295 ) ! PER1+ACO3=MO2+HO2+MGLY+DCB1\n & + RXRAT( 296 ) ! XYL1+ACO3=MO2+BALD\n & + RXRAT( 297 ) ! XYLP+ACO3=MO2+HO2+DCB2\n & + RXRAT( 298 ) ! PER2+ACO3=MO2+HO2+MGLY+...\n & + RXRAT( 299 ) ! XYOP+ACO3=MO2+HO2+0.3680D+...\n & + 5.0000D-01 * RXRAT( 300 ) ! ISOP+ACO3=0.5000D+00*MO2+...\n & + 5.0000D-01 * RXRAT( 301 ) ! APIP+ACO3=0.5000D+00*MO2+...\n & + 5.0000D-01 * RXRAT( 302 ) ! LIMP+ACO3=0.5000D+00*MO2+...\n & + 2.0000D+00 * RXRAT( 303 ) ! ACO3+ACO3=0.2000D+01*MO2\n & + RXRAT( 304 ) ! RCO3+ACO3=MO2+ETHP\n & + 5.0000D-01 * RXRAT( 305 ) ! ACTP+ACO3=0.5000D+00*MO2+...\n & + 5.0000D-01 * RXRAT( 306 ) ! MEKP+ACO3=0.5000D+00*MO2+...\n & + 5.0000D-01 * RXRAT( 307 ) ! KETP+ACO3=0.5000D+00*MO2+...\n & + 5.0000D-01 * RXRAT( 308 ) ! MACP+ACO3=0.5000D+00*MO2+...\n & + 5.0000D-01 * RXRAT( 309 ) ! MCP+ACO3=0.5000D+00*MO2+...\n & + 5.0000D-01 * RXRAT( 310 ) ! MVKP+ACO3=0.5000D+00*MO2+...\n & + 5.0000D-01 * RXRAT( 311 ) ! UALP+ACO3=0.5000D+00*MO2+...\n & + RXRAT( 312 ) ! BALP+ACO3=MO2+BAL1\n & + RXRAT( 313 ) ! BAL1+ACO3=MO2+BAL2\n & + RXRAT( 314 ) ! ADDC+ACO3=MO2+0.2000D+...\n & + RXRAT( 315 ) ! MCTP+ACO3=MO2+HO2+MCTO\n & + RXRAT( 316 ) ! ORAP+ACO3=MO2+GLY\n & + RXRAT( 317 ) ! OLNN+ACO3=MO2+HO2+ONIT\n & + 5.0000D-01 * RXRAT( 318 ) ! OLND+ACO3=0.5000D+00*MO2+...\n & + RXRAT( 319 ) ! ADCN+ACO3=MO2+HO2+0.7000D+...\n & + RXRAT( 320 ) ! XO2+ACO3=MO2\n & + 1.4000D-01 * RXRAT( 324 ) ! HC3P+NO3=0.1400D+00*MO2+...\n & + 5.5000D-02 * RXRAT( 325 ) ! HC5P+NO3=0.5500D-01*MO2+...\n & + RXRAT( 341 ) ! ACO3+NO3=MO2+NO2\n LOSS( MO2 ) = RXRAT( 172 ) ! MO2+NO=HO2+NO2+HCHO\n & + RXRAT( 212 ) ! MO2+HO2=OP1\n & + 2.0000D+00 * RXRAT( 248 ) ! MO2+MO2=0.7400D+00*HO2+...\n & + RXRAT( 249 ) ! MO2+ETHP=HO2+0.7500D+...\n & + 9.2000D-01 * RXRAT( 250 ) ! MO2+HC3P=0.8000D-01*MO2+...\n & + 9.8200D-01 * RXRAT( 251 ) ! MO2+HC5P=0.1800D-01*MO2+...\n & + RXRAT( 252 ) ! MO2+HC8P=0.9100D+00*HO2+...\n & + RXRAT( 253 ) ! MO2+ETEP=HO2+0.1950D+...\n & + RXRAT( 254 ) ! MO2+OLTP=HO2+0.1500D+...\n & + RXRAT( 255 ) ! MO2+OLIP=HO2+0.7500D+...\n & + RXRAT( 256 ) ! MO2+BENP=0.1600D+01*HO2+...\n & + RXRAT( 257 ) ! MO2+TLP1=HO2+HCHO+BALD\n & + RXRAT( 258 ) ! MO2+TOLP=0.2000D+01*HO2+...\n & + RXRAT( 259 ) ! MO2+PER1=0.2000D+01*HO2+...\n & + RXRAT( 260 ) ! MO2+XYL1=HO2+HCHO+BALD\n & + RXRAT( 261 ) ! MO2+XYLP=0.2000D+01*HO2+...\n & + RXRAT( 262 ) ! MO2+PER2=0.2000D+01*HO2+...\n & + RXRAT( 263 ) ! MO2+XYOP=0.2000D+01*HO2+...\n & + RXRAT( 264 ) ! MO2+ISOP=HO2+0.1310D+...\n & + RXRAT( 265 ) ! MO2+APIP=HO2+0.7500D+...\n & + RXRAT( 266 ) ! MO2+LIMP=HO2+0.1040D+...\n & + 1.0000D-01 * RXRAT( 267 ) ! MO2+ACO3=0.9000D+00*MO2+...\n & + 1.0000D-01 * RXRAT( 268 ) ! MO2+RCO3=0.9000D+00*MO2+...\n & + RXRAT( 269 ) ! MO2+ACTP=0.5000D+00*HO2+...\n & + RXRAT( 270 ) ! MO2+MEKP=0.8340D+00*HO2+...\n & + RXRAT( 271 ) ! MO2+KETP=HO2+0.7500D+...\n & + 7.5000D-01 * RXRAT( 272 ) ! MO2+MACP=0.2500D+00*MO2+...\n & + RXRAT( 273 ) ! MO2+MCP=NO2+HO2+0.1500D+...\n & + RXRAT( 274 ) ! MO2+MVKP=HO2+0.1160D+...\n & + RXRAT( 275 ) ! MO2+UALP=HO2+0.3050D+00*CO+...\n & + RXRAT( 276 ) ! MO2+BALP=HO2+BAL1+HCHO\n & + RXRAT( 277 ) ! MO2+BAL1=HO2+BAL2+HCHO\n & + RXRAT( 278 ) ! MO2+ADDC=0.2000D+01*HO2+...\n & + RXRAT( 279 ) ! MO2+MCTP=HO2+MCTO+HCHO\n & + RXRAT( 280 ) ! MO2+ORAP=HCHO+HO2+GLY\n & + RXRAT( 281 ) ! MO2+OLNN=0.2000D+01*HO2+...\n & + RXRAT( 282 ) ! MO2+OLND=0.5000D+00*HO2+...\n & + RXRAT( 283 ) ! MO2+ADCN=HO2+0.7000D+...\n & + RXRAT( 284 ) ! MO2+XO2=HO2+HCHO\n & + RXRAT( 322 ) ! MO2+NO3=HO2+HCHO+NO2\n\n PROD( ALD ) = 4.3400D-01 * RXRAT( 15 ) ! UALD=0.4340D+00*ALD+...\n & + RXRAT( 29 ) ! OP2=ALD+HO2+HO\n & + 2.0000D-01 * RXRAT( 31 ) ! ONIT=0.2000D+00*ALD+NO2+...\n & + 2.5000D-02 * RXRAT( 75 ) ! HC8+HO=0.2500D-01*ALD+...\n & + 4.0000D-01 * RXRAT( 101 ) ! DCB1+HO=0.4000D+00*ALD+...\n & + RXRAT( 107 ) ! EPX+HO=ALD+XO2+CO+HO2\n & + 7.1900D-01 * RXRAT( 111 ) ! ROH+HO=0.7190D+00*ALD+HO2+...\n & + RXRAT( 112 ) ! ETEG+HO=ALD+HO2\n & + 8.0000D-02 * RXRAT( 114 ) ! OP2+HO=0.8000D-01*ALD+...\n & + 4.4000D-01 * RXRAT( 127 ) ! OLT+O3=0.4400D+00*ALD+...\n & + 7.3000D-01 * RXRAT( 128 ) ! OLI+O3=0.7300D+00*ALD+...\n & + 6.5000D-01 * RXRAT( 131 ) ! API+O3=0.6500D+00*ALD+...\n & + 1.0000D-01 * RXRAT( 134 ) ! MVK+O3=0.1000D+00*ALD+...\n & + 3.3200D-01 * RXRAT( 152 ) ! UALD+NO3=0.3320D+00*ALD+...\n & + 1.3200D-01 * RXRAT( 174 ) ! HC3P+NO=0.1320D+00*ALD+...\n & + 2.0300D-01 * RXRAT( 175 ) ! HC5P+NO=0.2030D+00*ALD+...\n & + 1.5000D-01 * RXRAT( 176 ) ! HC8P+NO=0.1500D+00*ALD+...\n & + 2.0000D-01 * RXRAT( 177 ) ! ETEP+NO=0.2000D+00*ALD+NO2+...\n & + 4.4000D-01 * RXRAT( 178 ) ! OLTP+NO=0.4400D+00*ALD+...\n & + 6.8000D-01 * RXRAT( 179 ) ! OLIP+NO=0.6800D+00*ALD+...\n & + 2.7000D-02 * RXRAT( 188 ) ! ISOP+NO=0.2700D-01*ALD+...\n & + 4.3000D-01 * RXRAT( 189 ) ! APIP+NO=0.4300D+00*ALD+...\n & + 4.6000D-01 * RXRAT( 195 ) ! KETP+NO=0.4600D+00*ALD+...\n & + 7.0000D-01 * RXRAT( 198 ) ! MVKP+NO=0.7000D+00*ALD+...\n & + 2.7000D-01 * RXRAT( 199 ) ! UALP+NO=0.2700D+00*ALD+NO2+...\n & + 1.2400D+00 * RXRAT( 206 ) ! OLND+NO=0.1240D+01*ALD+...\n & + 1.9800D-01 * RXRAT( 250 ) ! HC3P+MO2=0.1980D+00*ALD+...\n & + 2.5100D-01 * RXRAT( 251 ) ! HC5P+MO2=0.2510D+00*ALD+...\n & + 1.9700D-01 * RXRAT( 252 ) ! HC8P+MO2=0.1970D+00*ALD+...\n & + 1.5000D-01 * RXRAT( 253 ) ! ETEP+MO2=0.1500D+00*ALD+...\n & + 7.0500D-01 * RXRAT( 254 ) ! OLTP+MO2=0.7050D+00*ALD+...\n & + 1.2800D+00 * RXRAT( 255 ) ! OLIP+MO2=0.1280D+01*ALD+...\n & + 2.3000D-02 * RXRAT( 264 ) ! ISOP+MO2=0.2300D-01*ALD+...\n & + 7.5000D-01 * RXRAT( 265 ) ! APIP+MO2=0.7500D+00*ALD+...\n & + 1.7500D+00 * RXRAT( 274 ) ! MVKP+MO2=0.1750D+01*ALD+...\n & + 2.0300D-01 * RXRAT( 275 ) ! UALP+MO2=0.2030D+00*ALD+...\n & + 9.3000D-01 * RXRAT( 282 ) ! OLND+MO2=0.9300D+00*ALD+...\n & + 2.7300D-01 * RXRAT( 286 ) ! HC3P+ACO3=0.2730D+00*ALD+...\n & + 3.8100D-01 * RXRAT( 287 ) ! HC5P+ACO3=0.3810D+00*ALD+...\n & + 2.1700D-01 * RXRAT( 288 ) ! HC8P+ACO3=0.2170D+00*ALD+...\n & + 2.0000D-01 * RXRAT( 289 ) ! ETEP+ACO3=0.2000D+00*ALD+...\n & + 9.4000D-01 * RXRAT( 290 ) ! OLTP+ACO3=0.9400D+00*ALD+...\n & + 1.7100D+00 * RXRAT( 291 ) ! OLIP+ACO3=0.1710D+01*ALD+...\n & + RXRAT( 301 ) ! APIP+ACO3=ALD+0.5000D+...\n & + 2.3000D+00 * RXRAT( 310 ) ! MVKP+ACO3=0.2300D+01*ALD+...\n & + 2.7000D-01 * RXRAT( 311 ) ! UALP+ACO3=0.2700D+00*ALD+...\n & + 1.2400D+00 * RXRAT( 318 ) ! OLND+ACO3=0.1240D+01*ALD+...\n & + 1.4700D-01 * RXRAT( 324 ) ! HC3P+NO3=0.1470D+00*ALD+...\n & + 2.4100D-01 * RXRAT( 325 ) ! HC5P+NO3=0.2410D+00*ALD+...\n & + 2.0300D-01 * RXRAT( 326 ) ! HC8P+NO3=0.2030D+00*ALD+...\n & + 2.0000D-01 * RXRAT( 327 ) ! ETEP+NO3=0.2000D+00*ALD+...\n & + 4.7000D-01 * RXRAT( 328 ) ! OLTP+NO3=0.4700D+00*ALD+...\n & + 7.2000D-01 * RXRAT( 329 ) ! OLIP+NO3=0.7200D+00*ALD+...\n & + 3.1000D-02 * RXRAT( 338 ) ! ISOP+NO3=0.3100D-01*ALD+...\n & + RXRAT( 339 ) ! APIP+NO3=ALD+NO2+HO2+KET\n & + 7.0000D-01 * RXRAT( 348 ) ! MVKP+NO3=0.7000D+00*ALD+...\n & + 2.7000D-01 * RXRAT( 349 ) ! UALP+NO3=0.2700D+00*ALD+...\n & + 1.2400D+00 * RXRAT( 356 ) ! OLND+NO3=0.1240D+01*ALD+...\n & + 6.4000D-01 * RXRAT( 359 ) ! OLNN+OLND=0.6400D+00*ALD+...\n & + 1.2100D+00 * RXRAT( 360 ) ! OLND+OLND=0.1210D+01*ALD+...\n LOSS( ALD ) = RXRAT( 13 ) ! ALD=HO2+ETHP+CO\n & + RXRAT( 91 ) ! ALD+HO=RCO3\n & + RXRAT( 150 ) ! ALD+NO3=RCO3+HNO3\n\n PROD( ETHP ) = RXRAT( 13 ) ! ALD=ETHP+HO2+CO\n & + 5.0000D-01 * RXRAT( 16 ) ! MEK=0.5000D+00*ETHP+...\n & + RXRAT( 17 ) ! KET=ETHP+ACO3\n & + RXRAT( 72 ) ! ETH+HO=ETHP\n & + 6.0000D-02 * RXRAT( 127 ) ! OLT+O3=0.6000D-01*ETHP+...\n & + 7.0000D-02 * RXRAT( 128 ) ! OLI+O3=0.7000D-01*ETHP+...\n & + 2.0000D-01 * RXRAT( 131 ) ! API+O3=0.2000D+00*ETHP+...\n & + 1.6000D-01 * RXRAT( 132 ) ! LIM+O3=0.1600D+00*ETHP+...\n & + 4.8000D-02 * RXRAT( 174 ) ! HC3P+NO=0.4800D-01*ETHP+...\n & + 2.3100D-01 * RXRAT( 175 ) ! HC5P+NO=0.2310D+00*ETHP+...\n & + 1.3300D-01 * RXRAT( 176 ) ! HC8P+NO=0.1330D+00*ETHP+...\n & + RXRAT( 192 ) ! RCO3+NO=ETHP+NO2\n & + 4.4000D-01 * RXRAT( 232 ) ! RCO3+HO2=0.4400D+00*ETHP+...\n & + 2.6000D-02 * RXRAT( 250 ) ! HC3P+MO2=0.2600D-01*ETHP+...\n & + 1.4000D-01 * RXRAT( 251 ) ! HC5P+MO2=0.1400D+00*ETHP+...\n & + 9.0000D-02 * RXRAT( 252 ) ! HC8P+MO2=0.9000D-01*ETHP+...\n & + 2.6000D-02 * RXRAT( 286 ) ! HC3P+ACO3=0.2600D-01*ETHP+...\n & + 1.4000D-01 * RXRAT( 287 ) ! HC5P+ACO3=0.1400D+00*ETHP+...\n & + 6.7000D-02 * RXRAT( 288 ) ! HC8P+ACO3=0.6700D-01*ETHP+...\n & + RXRAT( 304 ) ! RCO3+ACO3=ETHP+MO2\n & + 2.0000D+00 * RXRAT( 321 ) ! RCO3+RCO3=0.2000D+01*ETHP\n & + 5.0300D-01 * RXRAT( 324 ) ! HC3P+NO3=0.5030D+00*ETHP+...\n & + 2.8000D-01 * RXRAT( 325 ) ! HC5P+NO3=0.2800D+00*ETHP+...\n & + 1.8000D-01 * RXRAT( 326 ) ! HC8P+NO3=0.1800D+00*ETHP+...\n & + RXRAT( 342 ) ! RCO3+NO3=ETHP+NO2\n & + RXRAT( 362 ) ! XO2+RCO3=ETHP\n LOSS( ETHP ) = RXRAT( 173 ) ! ETHP+NO=HO2+NO2+ACD\n & + RXRAT( 213 ) ! ETHP+HO2=OP2\n & + RXRAT( 249 ) ! ETHP+MO2=HO2+0.7500D+...\n & + RXRAT( 285 ) ! ETHP+ACO3=0.5000D+00*HO2+...\n & + RXRAT( 323 ) ! ETHP+NO3=HO2+NO2+ACD\n\n PROD( ACT ) = 3.0000D-02 * RXRAT( 127 ) ! OLT+O3=0.3000D-01*ACT+...\n & + 1.1000D-01 * RXRAT( 128 ) ! OLI+O3=0.1100D+00*ACT+...\n & + 1.6500D-01 * RXRAT( 174 ) ! HC3P+NO=0.1650D+00*ACT+...\n & + 2.1700D-01 * RXRAT( 175 ) ! HC5P+NO=0.2170D+00*ACT+...\n & + 6.0000D-02 * RXRAT( 178 ) ! OLTP+NO=0.6000D-01*ACT+...\n & + 2.0000D-01 * RXRAT( 179 ) ! OLIP+NO=0.2000D+00*ACT+...\n & + 1.1000D-01 * RXRAT( 189 ) ! APIP+NO=0.1100D+00*ACT+...\n & + 9.5000D-02 * RXRAT( 324 ) ! HC3P+NO3=0.9500D-01*ACT+...\n & + 2.4700D-01 * RXRAT( 325 ) ! HC5P+NO3=0.2470D+00*ACT+...\n & + 9.0000D-02 * RXRAT( 328 ) ! OLTP+NO3=0.9000D-01*ACT+...\n & + 2.0000D-01 * RXRAT( 329 ) ! OLIP+NO3=0.2000D+00*ACT+...\n LOSS( ACT ) = RXRAT( 14 ) ! ACT=MO2+ACO3\n & + RXRAT( 92 ) ! ACT+HO=ACTP\n\n PROD( UALD ) = 7.0000D-01 * RXRAT( 20 ) ! MVK=0.7000D+00*UALD+...\n & + 6.8000D-01 * RXRAT( 190 ) ! LIMP+NO=0.6800D+00*UALD+...\n LOSS( UALD ) = RXRAT( 15 ) ! UALD=0.1220D+01*HO2+...\n & + RXRAT( 98 ) ! UALD+HO=0.3130D+00*ACO3+...\n & + RXRAT( 135 ) ! UALD+O3=0.1000D+00*HO+...\n & + RXRAT( 152 ) ! UALD+NO3=HO2+XO2+0.6680D+...\n\n PROD( KET ) = 2.1600D-01 * RXRAT( 15 ) ! UALD=0.2160D+00*KET+...\n & + 8.0000D-01 * RXRAT( 31 ) ! ONIT=0.8000D+00*KET+NO2+...\n & + 7.8000D-01 * RXRAT( 101 ) ! DCB1+HO=0.7800D+00*KET+...\n & + 4.1000D-01 * RXRAT( 114 ) ! OP2+HO=0.4100D+00*KET+...\n & + 1.7000D-02 * RXRAT( 128 ) ! OLI+O3=0.1700D-01*KET+...\n & + 5.3000D-01 * RXRAT( 131 ) ! API+O3=0.5300D+00*KET+...\n & + 2.8000D-02 * RXRAT( 135 ) ! UALD+O3=0.2800D-01*KET+...\n & + 3.3000D-02 * RXRAT( 175 ) ! HC5P+NO=0.3300D-01*KET+...\n & + 6.4200D-01 * RXRAT( 176 ) ! HC8P+NO=0.6420D+00*KET+...\n & + 9.0000D-02 * RXRAT( 179 ) ! OLIP+NO=0.9000D-01*KET+...\n & + 4.4000D-01 * RXRAT( 189 ) ! APIP+NO=0.4400D+00*KET+...\n & + 7.0000D-01 * RXRAT( 199 ) ! UALP+NO=0.7000D+00*KET+NO2+...\n & + 4.6400D-01 * RXRAT( 206 ) ! OLND+NO=0.4640D+00*KET+...\n & + 4.9700D-01 * RXRAT( 250 ) ! HC3P+MO2=0.4970D+00*KET+...\n & + 6.1800D-01 * RXRAT( 251 ) ! HC5P+MO2=0.6180D+00*KET+...\n & + 6.5200D-01 * RXRAT( 252 ) ! HC8P+MO2=0.6520D+00*KET+...\n & + 4.5000D-02 * RXRAT( 254 ) ! OLTP+MO2=0.4500D-01*KET+...\n & + 2.1800D-01 * RXRAT( 255 ) ! OLIP+MO2=0.2180D+00*KET+...\n & + 7.5000D-01 * RXRAT( 265 ) ! APIP+MO2=0.7500D+00*KET+...\n & + 5.2500D-01 * RXRAT( 275 ) ! UALP+MO2=0.5250D+00*KET+...\n & + 3.4800D-01 * RXRAT( 282 ) ! OLND+MO2=0.3480D+00*KET+...\n & + 6.6200D-01 * RXRAT( 286 ) ! HC3P+ACO3=0.6620D+00*KET+...\n & + 8.2400D-01 * RXRAT( 287 ) ! HC5P+ACO3=0.8240D+00*KET+...\n & + 6.4200D-01 * RXRAT( 288 ) ! HC8P+ACO3=0.6420D+00*KET+...\n & + 6.0000D-02 * RXRAT( 290 ) ! OLTP+ACO3=0.6000D-01*KET+...\n & + 2.9000D-01 * RXRAT( 291 ) ! OLIP+ACO3=0.2900D+00*KET+...\n & + RXRAT( 301 ) ! APIP+ACO3=KET+0.5000D+...\n & + 7.0000D-01 * RXRAT( 311 ) ! UALP+ACO3=0.7000D+00*KET+...\n & + 4.6400D-01 * RXRAT( 318 ) ! OLND+ACO3=0.4640D+00*KET+...\n & + 6.0000D-02 * RXRAT( 325 ) ! HC5P+NO3=0.6000D-01*KET+...\n & + 8.6900D-01 * RXRAT( 326 ) ! HC8P+NO3=0.8690D+00*KET+...\n & + 1.1000D-01 * RXRAT( 329 ) ! OLIP+NO3=0.1100D+00*KET+...\n & + RXRAT( 339 ) ! APIP+NO3=KET+NO2+ALD+HO2\n & + 7.0000D-01 * RXRAT( 349 ) ! UALP+NO3=0.7000D+00*KET+...\n & + 4.6400D-01 * RXRAT( 356 ) ! OLND+NO3=0.4640D+00*KET+...\n & + 1.4900D-01 * RXRAT( 359 ) ! OLNN+OLND=0.1490D+00*KET+...\n & + 2.8500D-01 * RXRAT( 360 ) ! OLND+OLND=0.2850D+00*KET+...\n LOSS( KET ) = RXRAT( 17 ) ! KET=ETHP+ACO3\n & + RXRAT( 94 ) ! KET+HO=KETP\n\n PROD( MEK ) = 1.3000D-01 * RXRAT( 102 ) ! DCB2+HO=0.1300D+00*MEK+...\n & + 6.0000D-02 * RXRAT( 127 ) ! OLT+O3=0.6000D-01*MEK+...\n & + 4.2000D-02 * RXRAT( 174 ) ! HC3P+NO=0.4200D-01*MEK+...\n & + 3.3000D-02 * RXRAT( 175 ) ! HC5P+NO=0.3300D-01*MEK+...\n & + 1.3000D-01 * RXRAT( 178 ) ! OLTP+NO=0.1300D+00*MEK+...\n & + 7.5000D-02 * RXRAT( 324 ) ! HC3P+NO3=0.7500D-01*MEK+...\n & + 6.3000D-02 * RXRAT( 325 ) ! HC5P+NO3=0.6300D-01*MEK+...\n & + 1.8000D-01 * RXRAT( 328 ) ! OLTP+NO3=0.1800D+00*MEK+...\n LOSS( MEK ) = RXRAT( 16 ) ! MEK=0.5000D+00*MO2+0.5000D+...\n & + RXRAT( 93 ) ! MEK+HO=MEKP\n\n PROD( HKET ) = 2.4000D-02 * RXRAT( 75 ) ! HC8+HO=0.2400D-01*HKET+...\n & + RXRAT( 122 ) ! MPAN+HO=HKET+NO2\n & + RXRAT( 124 ) ! NALD+HO=HKET+XO2+NO2\n & + 7.0000D-02 * RXRAT( 125 ) ! ISON+HO=0.7000D-01*HKET+...\n & + 1.0000D-02 * RXRAT( 127 ) ! OLT+O3=0.1000D-01*HKET+...\n & + 4.4000D-02 * RXRAT( 128 ) ! OLI+O3=0.4400D-01*HKET+...\n & + 2.7200D-01 * RXRAT( 175 ) ! HC5P+NO=0.2720D+00*HKET+...\n & + 2.0000D-02 * RXRAT( 179 ) ! OLIP+NO=0.2000D-01*HKET+...\n & + 2.9000D-02 * RXRAT( 188 ) ! ISOP+NO=0.2900D-01*HKET+...\n & + RXRAT( 197 ) ! MCP+NO=HKET+0.5000D+00*HO2+...\n & + 3.2000D-01 * RXRAT( 202 ) ! ADDC+NO=0.3200D+00*HKET+...\n & + 1.6000D-02 * RXRAT( 264 ) ! ISOP+MO2=0.1600D-01*HKET+...\n & + 5.0000D-01 * RXRAT( 273 ) ! MCP+MO2=0.5000D+00*HKET+...\n & + 3.2000D-01 * RXRAT( 278 ) ! ADDC+MO2=0.3200D+00*HKET+...\n & + 5.0000D-01 * RXRAT( 309 ) ! MCP+ACO3=0.5000D+00*HKET+...\n & + 3.2000D-01 * RXRAT( 314 ) ! ADDC+ACO3=0.3200D+00*HKET+...\n & + 2.7500D-01 * RXRAT( 325 ) ! HC5P+NO3=0.2750D+00*HKET+...\n & + 4.0000D-02 * RXRAT( 329 ) ! OLIP+NO3=0.4000D-01*HKET+...\n & + 3.3000D-02 * RXRAT( 338 ) ! ISOP+NO3=0.3300D-01*HKET+...\n & + RXRAT( 347 ) ! MCP+NO3=HKET+HO2+HCHO+NO2\n & + 3.2000D-01 * RXRAT( 352 ) ! ADDC+NO3=0.3200D+00*HKET+...\n LOSS( HKET ) = RXRAT( 18 ) ! HKET=HO2+ACO3+HCHO\n & + RXRAT( 95 ) ! HKET+HO=HO2+MGLY\n\n PROD( MACR ) = RXRAT( 115 ) ! ISHP+HO=MACR+HO+0.9040D+...\n & + 3.9000D-01 * RXRAT( 129 ) ! DIEN+O3=0.3900D+00*MACR+...\n & + 4.6100D-01 * RXRAT( 130 ) ! ISO+O3=0.4610D+00*MACR+...\n & + 7.9000D-01 * RXRAT( 132 ) ! LIM+O3=0.7900D+00*MACR+...\n & + 9.0000D-01 * RXRAT( 144 ) ! DIEN+NO3=0.9000D+00*MACR+...\n & + 2.8000D-01 * RXRAT( 188 ) ! ISOP+NO=0.2800D+00*MACR+...\n & + 1.5900D-01 * RXRAT( 264 ) ! ISOP+MO2=0.1590D+00*MACR+...\n & + 3.0800D-01 * RXRAT( 266 ) ! LIMP+MO2=0.3080D+00*MACR+...\n & + 2.1900D-01 * RXRAT( 300 ) ! ISOP+ACO3=0.2190D+00*MACR+...\n & + 3.0800D-01 * RXRAT( 302 ) ! LIMP+ACO3=0.3080D+00*MACR+...\n & + 3.1800D-01 * RXRAT( 338 ) ! ISOP+NO3=0.3180D+00*MACR+...\n & + 6.1500D-01 * RXRAT( 340 ) ! LIMP+NO3=0.6150D+00*MACR+...\n LOSS( MACR ) = RXRAT( 19 ) ! MACR=0.3400D+00*HO+0.6600D+...\n & + RXRAT( 96 ) ! MACR+HO=0.5700D+00*MACP+...\n & + RXRAT( 133 ) ! MACR+O3=0.1900D+00*HO+...\n & + RXRAT( 151 ) ! MACR+NO3=0.6800D+00*HCHO+...\n\n PROD( MACP ) = 3.3000D-01 * RXRAT( 19 ) ! MACR=0.3300D+00*MACP+...\n & + 3.0000D-01 * RXRAT( 20 ) ! MVK=0.3000D+00*MACP+...\n & + 5.7000D-01 * RXRAT( 96 ) ! MACR+HO=0.5700D+00*MACP+...\n & + 2.1000D-01 * RXRAT( 103 ) ! DCB3+HO=0.2100D+00*MACP+...\n & + RXRAT( 116 ) ! MAHP+HO=MACP\n & + 1.0000D-01 * RXRAT( 130 ) ! ISO+O3=0.1000D+00*MACP+...\n & + 3.2000D-01 * RXRAT( 151 ) ! MACR+NO3=0.3200D+00*MACP+...\n & + RXRAT( 159 ) ! MPAN+NO3=MACP+NO2\n & + RXRAT( 171 ) ! MPAN=MACP+NO2\n LOSS( MACP ) = RXRAT( 170 ) ! MACP+NO2=MPAN\n & + RXRAT( 196 ) ! MACP+NO=0.6500D+00*MO2+...\n & + RXRAT( 236 ) ! MACP+HO2=MAHP\n & + RXRAT( 272 ) ! MACP+MO2=0.5000D+00*HO2+...\n & + RXRAT( 308 ) ! MACP+ACO3=0.6350D+00*ORA2+...\n & + RXRAT( 346 ) ! MACP+NO3=HCHO+0.5380D+...\n\n PROD( XO2 ) = 3.4000D-01 * RXRAT( 19 ) ! MACR=0.3400D+00*XO2+...\n & + 2.0000D-01 * RXRAT( 25 ) ! DCB1=0.2000D+00*XO2+...\n & + 2.0000D-01 * RXRAT( 26 ) ! DCB2=0.2000D+00*XO2+...\n & + RXRAT( 107 ) ! EPX+HO=XO2+HO2+CO+ALD\n & + 7.0000D-02 * RXRAT( 114 ) ! OP2+HO=0.7000D-01*XO2+...\n & + 3.5000D-01 * RXRAT( 119 ) ! PAA+HO=0.3500D+00*XO2+...\n & + RXRAT( 120 ) ! PAN+HO=XO2+NO3+HCHO\n & + RXRAT( 121 ) ! PPN+HO=XO2+NO3+HCHO\n & + RXRAT( 124 ) ! NALD+HO=XO2+NO2+HKET\n & + 1.3000D-01 * RXRAT( 129 ) ! DIEN+O3=0.1300D+00*XO2+...\n & + 1.0000D-02 * RXRAT( 134 ) ! MVK+O3=0.1000D-01*XO2+...\n & + 1.0000D-01 * RXRAT( 135 ) ! UALD+O3=0.1000D+00*XO2+...\n & + 6.0000D-01 * RXRAT( 136 ) ! DCB1+O3=0.6000D+00*XO2+HO2+...\n & + 6.0000D-01 * RXRAT( 137 ) ! DCB2+O3=0.6000D+00*XO2+HO2+...\n & + 6.8000D-01 * RXRAT( 151 ) ! MACR+NO3=0.6800D+00*XO2+...\n & + RXRAT( 152 ) ! UALD+NO3=XO2+HO2+0.6680D+...\n & + 8.9000D-02 * RXRAT( 174 ) ! HC3P+NO=0.8900D-01*XO2+...\n & + 2.3500D-01 * RXRAT( 175 ) ! HC5P+NO=0.2350D+00*XO2+...\n & + 4.1600D-01 * RXRAT( 176 ) ! HC8P+NO=0.4160D+00*XO2+...\n & + 1.6000D-01 * RXRAT( 195 ) ! KETP+NO=0.1600D+00*XO2+...\n & + 7.0000D-01 * RXRAT( 198 ) ! MVKP+NO=0.7000D+00*XO2+...\n & + 2.6000D-02 * RXRAT( 250 ) ! HC3P+MO2=0.2600D-01*XO2+...\n & + 1.9100D-01 * RXRAT( 251 ) ! HC5P+MO2=0.1910D+00*XO2+...\n & + 2.8100D-01 * RXRAT( 252 ) ! HC8P+MO2=0.2810D+00*XO2+...\n & + 1.1600D+00 * RXRAT( 274 ) ! MVKP+MO2=0.1160D+01*XO2+...\n & + 2.6000D-02 * RXRAT( 286 ) ! HC3P+ACO3=0.2600D-01*XO2+...\n & + 1.9100D-01 * RXRAT( 287 ) ! HC5P+ACO3=0.1910D+00*XO2+...\n & + 2.0800D-01 * RXRAT( 288 ) ! HC8P+ACO3=0.2080D+00*XO2+...\n & + 1.1600D+00 * RXRAT( 310 ) ! MVKP+ACO3=0.1160D+01*XO2+...\n & + 9.2000D-02 * RXRAT( 324 ) ! HC3P+NO3=0.9200D-01*XO2+...\n & + 4.8500D-01 * RXRAT( 325 ) ! HC5P+NO3=0.4850D+00*XO2+...\n & + 5.6300D-01 * RXRAT( 326 ) ! HC8P+NO3=0.5630D+00*XO2+...\n & + 7.0000D-01 * RXRAT( 348 ) ! MVKP+NO3=0.7000D+00*XO2+...\n LOSS( XO2 ) = RXRAT( 208 ) ! XO2+NO=NO2\n & + RXRAT( 247 ) ! XO2+HO2=OP2\n & + RXRAT( 284 ) ! XO2+MO2=HO2+HCHO\n & + RXRAT( 320 ) ! XO2+ACO3=MO2\n & + RXRAT( 361 ) ! XO2+NO3=NO2\n & + RXRAT( 362 ) ! XO2+RCO3=ETHP\n & + 2.0000D+00 * RXRAT( 363 ) ! XO2+XO2=\n\n PROD( MVK ) = 1.8900D-01 * RXRAT( 130 ) ! ISO+O3=0.1890D+00*MVK+...\n & + 4.4000D-01 * RXRAT( 188 ) ! ISOP+NO=0.4400D+00*MVK+...\n & + 2.5000D-01 * RXRAT( 264 ) ! ISOP+MO2=0.2500D+00*MVK+...\n & + 3.0500D-01 * RXRAT( 300 ) ! ISOP+ACO3=0.3050D+00*MVK+...\n & + 5.0000D-01 * RXRAT( 338 ) ! ISOP+NO3=0.5000D+00*MVK+...\n LOSS( MVK ) = RXRAT( 20 ) ! MVK=0.3000D+00*MO2+0.3000D+...\n & + RXRAT( 97 ) ! MVK+HO=MVKP\n & + RXRAT( 134 ) ! MVK+O3=0.1600D+00*HO+...\n\n PROD( GLY ) = 5.0000D-01 * RXRAT( 25 ) ! DCB1=0.5000D+00*GLY+...\n & + 5.0000D-01 * RXRAT( 26 ) ! DCB2=0.5000D+00*GLY+...\n & + 6.5000D-01 * RXRAT( 80 ) ! ACE+HO=0.6500D+00*GLY+...\n & + 1.0000D-01 * RXRAT( 101 ) ! DCB1+HO=0.1000D+00*GLY+...\n & + 1.0000D-01 * RXRAT( 102 ) ! DCB2+HO=0.1000D+00*GLY+...\n & + 2.7000D-01 * RXRAT( 103 ) ! DCB3+HO=0.2700D+00*GLY+...\n & + 4.9100D-01 * RXRAT( 135 ) ! UALD+O3=0.4910D+00*GLY+...\n & + 5.0000D-02 * RXRAT( 136 ) ! DCB1+O3=0.5000D-01*GLY+HO2+...\n & + 5.0000D-02 * RXRAT( 137 ) ! DCB2+O3=0.5000D-01*GLY+HO2+...\n & + 4.8000D-01 * RXRAT( 138 ) ! DCB3+O3=0.4800D+00*GLY+HO2+...\n & + RXRAT( 139 ) ! EPX+O3=GLY+0.1500D+01*HO2+...\n & + RXRAT( 157 ) ! EPX+NO3=GLY+0.1500D+01*HO2+...\n & + 9.1800D-01 * RXRAT( 180 ) ! BENP+NO=0.9180D+00*GLY+...\n & + 3.5000D-01 * RXRAT( 187 ) ! XYOP+NO=0.3500D+00*GLY+...\n & + 2.1000D-02 * RXRAT( 188 ) ! ISOP+NO=0.2100D-01*GLY+...\n & + 1.8000D-01 * RXRAT( 199 ) ! UALP+NO=0.1800D+00*GLY+NO2+...\n & + 6.8000D-01 * RXRAT( 202 ) ! ADDC+NO=0.6800D+00*GLY+NO2+...\n & + RXRAT( 204 ) ! ORAP+NO=GLY+NO2+HO2\n & + RXRAT( 207 ) ! ADCN+NO=GLY+0.2000D+01*NO2+OP2\n & + 5.0000D-02 * RXRAT( 250 ) ! HC3P+MO2=0.5000D-01*GLY+...\n & + 6.0000D-01 * RXRAT( 256 ) ! BENP+MO2=0.6000D+00*GLY+...\n & + 2.7100D-01 * RXRAT( 258 ) ! TOLP+MO2=0.2710D+00*GLY+...\n & + 3.6800D-01 * RXRAT( 263 ) ! XYOP+MO2=0.3680D+00*GLY+...\n & + 1.8000D-02 * RXRAT( 264 ) ! ISOP+MO2=0.1800D-01*GLY+...\n & + 1.3500D-01 * RXRAT( 275 ) ! UALP+MO2=0.1350D+00*GLY+...\n & + 6.8000D-01 * RXRAT( 278 ) ! ADDC+MO2=0.6800D+00*GLY+...\n & + RXRAT( 280 ) ! ORAP+MO2=GLY+HO2+HCHO\n & + 7.0000D-01 * RXRAT( 283 ) ! ADCN+MO2=0.7000D+00*GLY+...\n & + 6.7000D-02 * RXRAT( 286 ) ! HC3P+ACO3=0.6700D-01*GLY+...\n & + 6.0000D-01 * RXRAT( 292 ) ! BENP+ACO3=0.6000D+00*GLY+...\n & + 3.6800D-01 * RXRAT( 299 ) ! XYOP+ACO3=0.3680D+00*GLY+...\n & + 1.8000D-01 * RXRAT( 311 ) ! UALP+ACO3=0.1800D+00*GLY+...\n & + 6.8000D-01 * RXRAT( 314 ) ! ADDC+ACO3=0.6800D+00*GLY+...\n & + RXRAT( 316 ) ! ORAP+ACO3=GLY+MO2\n & + 7.0000D-01 * RXRAT( 319 ) ! ADCN+ACO3=0.7000D+00*GLY+...\n & + RXRAT( 330 ) ! BENP+NO3=GLY+NO2+0.5000D+...\n & + 3.6800D-01 * RXRAT( 337 ) ! XYOP+NO3=0.3680D+00*GLY+...\n & + 2.4000D-02 * RXRAT( 338 ) ! ISOP+NO3=0.2400D-01*GLY+...\n & + 1.8000D-01 * RXRAT( 349 ) ! UALP+NO3=0.1800D+00*GLY+...\n & + 6.8000D-01 * RXRAT( 352 ) ! ADDC+NO3=0.6800D+00*GLY+...\n & + RXRAT( 354 ) ! ORAP+NO3=GLY+NO2+HO2\n & + RXRAT( 357 ) ! ADCN+NO3=GLY+0.2000D+...\n LOSS( GLY ) = RXRAT( 21 ) ! GLY=0.2000D+01*CO\n & + RXRAT( 22 ) ! GLY=HCHO+CO\n & + RXRAT( 23 ) ! GLY=0.2000D+01*HO2+0.2000D+...\n & + RXRAT( 99 ) ! GLY+HO=HO2+0.2000D+01*CO\n & + RXRAT( 153 ) ! GLY+NO3=HO2+0.2000D+01*CO+HNO3\n\n PROD( MGLY ) = 5.0000D-01 * RXRAT( 25 ) ! DCB1=0.5000D+00*MGLY+...\n & + 5.0000D-01 * RXRAT( 26 ) ! DCB2=0.5000D+00*MGLY+...\n & + RXRAT( 95 ) ! HKET+HO=MGLY+HO2\n & + 1.0000D-02 * RXRAT( 101 ) ! DCB1+HO=0.1000D-01*MGLY+...\n & + 1.0000D-02 * RXRAT( 102 ) ! DCB2+HO=0.1000D-01*MGLY+...\n & + 1.0000D-02 * RXRAT( 103 ) ! DCB3+HO=0.1000D-01*MGLY+...\n & + 5.0000D-01 * RXRAT( 133 ) ! MACR+O3=0.5000D+00*MGLY+...\n & + 5.4000D-01 * RXRAT( 134 ) ! MVK+O3=0.5400D+00*MGLY+...\n & + 3.0000D-03 * RXRAT( 135 ) ! UALD+O3=0.3000D-02*MGLY+...\n & + 8.0000D-02 * RXRAT( 136 ) ! DCB1+O3=0.8000D-01*MGLY+...\n & + 8.0000D-02 * RXRAT( 137 ) ! DCB2+O3=0.8000D-01*MGLY+...\n & + 6.8000D-01 * RXRAT( 151 ) ! MACR+NO3=0.6800D+00*MGLY+...\n & + 5.0000D-01 * RXRAT( 183 ) ! PER1+NO=0.5000D+00*MGLY+...\n & + 9.5000D-01 * RXRAT( 186 ) ! PER2+NO=0.9500D+00*MGLY+...\n & + 6.0000D-01 * RXRAT( 187 ) ! XYOP+NO=0.6000D+00*MGLY+...\n & + 5.4000D-01 * RXRAT( 195 ) ! KETP+NO=0.5400D+00*MGLY+...\n & + 3.0000D-01 * RXRAT( 198 ) ! MVKP+NO=0.3000D+00*MGLY+...\n & + 2.1000D-01 * RXRAT( 199 ) ! UALP+NO=0.2100D+00*MGLY+...\n & + RXRAT( 259 ) ! PER1+MO2=MGLY+HCHO+0.2000D+...\n & + RXRAT( 262 ) ! PER2+MO2=MGLY+HCHO+0.2000D+...\n & + 6.3200D-01 * RXRAT( 263 ) ! XYOP+MO2=0.6320D+00*MGLY+...\n & + 5.0000D-01 * RXRAT( 274 ) ! MVKP+MO2=0.5000D+00*MGLY+...\n & + 1.0500D-01 * RXRAT( 275 ) ! UALP+MO2=0.1050D+00*MGLY+...\n & + RXRAT( 295 ) ! PER1+ACO3=MGLY+MO2+HO2+DCB1\n & + RXRAT( 298 ) ! PER2+ACO3=MGLY+MO2+HO2+...\n & + 6.3200D-01 * RXRAT( 299 ) ! XYOP+ACO3=0.6320D+00*MGLY+...\n & + 5.0000D-01 * RXRAT( 310 ) ! MVKP+ACO3=0.5000D+00*MGLY+...\n & + 1.0500D-01 * RXRAT( 311 ) ! UALP+ACO3=0.1050D+00*MGLY+...\n & + 5.0000D-01 * RXRAT( 333 ) ! PER1+NO3=0.5000D+00*MGLY+...\n & + RXRAT( 336 ) ! PER2+NO3=MGLY+NO2+HO2+DCB1+...\n & + 6.3200D-01 * RXRAT( 337 ) ! XYOP+NO3=0.6320D+00*MGLY+...\n & + 3.0000D-01 * RXRAT( 348 ) ! MVKP+NO3=0.3000D+00*MGLY+...\n & + 2.1000D-01 * RXRAT( 349 ) ! UALP+NO3=0.2100D+00*MGLY+...\n LOSS( MGLY ) = RXRAT( 24 ) ! MGLY=HO2+ACO3+CO\n & + RXRAT( 100 ) ! MGLY+HO=ACO3+CO\n & + RXRAT( 154 ) ! MGLY+NO3=ACO3+CO+HNO3\n\n PROD( DCB1 ) = 7.0000D-01 * RXRAT( 137 ) ! DCB2+O3=0.7000D+00*DCB1+...\n & + 7.0000D-01 * RXRAT( 138 ) ! DCB3+O3=0.7000D+00*DCB1+...\n & + 5.0000D-01 * RXRAT( 183 ) ! PER1+NO=0.5000D+00*DCB1+...\n & + 9.5000D-01 * RXRAT( 186 ) ! PER2+NO=0.9500D+00*DCB1+...\n & + 7.0000D-01 * RXRAT( 187 ) ! XYOP+NO=0.7000D+00*DCB1+...\n & + 6.7000D-01 * RXRAT( 194 ) ! MEKP+NO=0.6700D+00*DCB1+...\n & + RXRAT( 259 ) ! PER1+MO2=DCB1+HCHO+MGLY+...\n & + RXRAT( 262 ) ! PER2+MO2=DCB1+HCHO+MGLY+...\n & + 7.3700D-01 * RXRAT( 263 ) ! XYOP+MO2=0.7370D+00*DCB1+...\n & + 3.3400D-01 * RXRAT( 270 ) ! MEKP+MO2=0.3340D+00*DCB1+...\n & + 5.0000D-01 * RXRAT( 271 ) ! KETP+MO2=0.5000D+00*DCB1+...\n & + RXRAT( 295 ) ! PER1+ACO3=DCB1+MO2+MGLY+HO2\n & + RXRAT( 298 ) ! PER2+ACO3=DCB1+MO2+MGLY+...\n & + 7.3700D-01 * RXRAT( 299 ) ! XYOP+ACO3=0.7370D+00*DCB1+...\n & + 3.3400D-01 * RXRAT( 306 ) ! MEKP+ACO3=0.3340D+00*DCB1+...\n & + 5.0000D-01 * RXRAT( 307 ) ! KETP+ACO3=0.5000D+00*DCB1+...\n & + 5.0000D-01 * RXRAT( 333 ) ! PER1+NO3=0.5000D+00*DCB1+...\n & + RXRAT( 336 ) ! PER2+NO3=DCB1+NO2+MGLY+HO2+...\n & + 7.3700D-01 * RXRAT( 337 ) ! XYOP+NO3=0.7370D+00*DCB1+...\n & + 6.7000D-01 * RXRAT( 344 ) ! MEKP+NO3=0.6700D+00*DCB1+...\n & + RXRAT( 345 ) ! KETP+NO3=DCB1+NO2+HO2\n LOSS( DCB1 ) = RXRAT( 25 ) ! DCB1=0.1500D+01*HO2+...\n & + RXRAT( 101 ) ! DCB1+HO=0.5200D+00*HO2+...\n & + RXRAT( 136 ) ! DCB1+O3=0.5000D-01*HO+HO2+...\n\n PROD( DCB2 ) = 2.8000D-01 * RXRAT( 160 ) ! TR2=0.2800D+00*DCB2+...\n & + 4.9000D-01 * RXRAT( 161 ) ! TOLP=0.4900D+00*DCB2+...\n & + 2.2400D-01 * RXRAT( 162 ) ! XY2=0.2240D+00*DCB2+...\n & + 4.9000D-01 * RXRAT( 163 ) ! XYLP=0.4900D+00*DCB2+...\n & + 2.2400D-01 * RXRAT( 164 ) ! XYO2=0.2240D+00*DCB2+...\n & + 4.9000D-01 * RXRAT( 165 ) ! XYOP=0.4900D+00*DCB2+...\n & + 4.5900D-01 * RXRAT( 180 ) ! BENP+NO=0.4590D+00*DCB2+...\n & + 9.5000D-01 * RXRAT( 182 ) ! TOLP+NO=0.9500D+00*DCB2+...\n & + 7.3000D-02 * RXRAT( 187 ) ! XYOP+NO=0.7300D-01*DCB2+...\n & + 4.5900D-01 * RXRAT( 256 ) ! BENP+MO2=0.4590D+00*DCB2+...\n & + RXRAT( 258 ) ! TOLP+MO2=DCB2+HCHO+0.2710D+...\n & + RXRAT( 261 ) ! XYLP+MO2=DCB2+HCHO+0.2000D+...\n & + 7.7000D-02 * RXRAT( 263 ) ! XYOP+MO2=0.7700D-01*DCB2+...\n & + 4.5900D-01 * RXRAT( 292 ) ! BENP+ACO3=0.4590D+00*DCB2+...\n & + RXRAT( 294 ) ! TOLP+ACO3=DCB2+MO2+HO2\n & + RXRAT( 297 ) ! XYLP+ACO3=DCB2+MO2+HO2\n & + 7.7000D-02 * RXRAT( 299 ) ! XYOP+ACO3=0.7700D-01*DCB2+...\n & + 5.0000D-01 * RXRAT( 330 ) ! BENP+NO3=0.5000D+00*DCB2+...\n & + RXRAT( 332 ) ! TOLP+NO3=DCB2+NO2+HO2\n & + 7.7000D-02 * RXRAT( 337 ) ! XYOP+NO3=0.7700D-01*DCB2+...\n LOSS( DCB2 ) = RXRAT( 26 ) ! DCB2=0.1500D+01*HO2+...\n & + RXRAT( 102 ) ! DCB2+HO=0.5200D+00*HO2+...\n & + RXRAT( 137 ) ! DCB2+O3=0.5000D-01*HO+HO2+...\n\n PROD( BALD ) = 2.0000D-02 * RXRAT( 127 ) ! OLT+O3=0.2000D-01*BALD+...\n & + 8.5000D-01 * RXRAT( 139 ) ! EPX+O3=0.8500D+00*BALD+...\n & + RXRAT( 181 ) ! TLP1+NO=BALD+NO2\n & + 5.0000D-01 * RXRAT( 183 ) ! PER1+NO=0.5000D+00*BALD+...\n & + RXRAT( 184 ) ! XYL1+NO=BALD+NO2\n & + RXRAT( 257 ) ! TLP1+MO2=BALD+HCHO+HO2\n & + RXRAT( 260 ) ! XYL1+MO2=BALD+HCHO+HO2\n & + RXRAT( 293 ) ! TLP1+ACO3=BALD+MO2\n & + RXRAT( 296 ) ! XYL1+ACO3=BALD+MO2\n & + RXRAT( 331 ) ! TLP1+NO3=BALD+NO2\n & + 5.0000D-01 * RXRAT( 333 ) ! PER1+NO3=0.5000D+00*BALD+...\n & + RXRAT( 334 ) ! XYL1+NO3=BALD+NO2\n LOSS( BALD ) = RXRAT( 27 ) ! BALD=CHO+HO2+CO\n & + RXRAT( 104 ) ! BALD+HO=BALP\n\n PROD( CHO ) = RXRAT( 27 ) ! BALD=CHO+HO2+CO\n & + 7.0000D-02 * RXRAT( 105 ) ! PHEN+HO=0.7000D-01*CHO+...\n & + 7.0000D-02 * RXRAT( 106 ) ! CSL+HO=0.7000D-01*CHO+...\n & + 4.0000D-01 * RXRAT( 155 ) ! PHEN+NO3=0.4000D+00*CHO+...\n & + 4.0000D-01 * RXRAT( 156 ) ! CSL+NO3=0.4000D+00*CHO+...\n LOSS( CHO ) = RXRAT( 210 ) ! CHO+NO2=ONIT\n & + RXRAT( 241 ) ! CHO+HO2=CSL\n\n PROD( OP1 ) = RXRAT( 212 ) ! MO2+HO2=OP1\n LOSS( OP1 ) = RXRAT( 28 ) ! OP1=HO+HO2+HCHO\n & + RXRAT( 113 ) ! OP1+HO=0.3500D+00*HO+...\n\n PROD( OP2 ) = 7.8000D-01 * RXRAT( 102 ) ! DCB2+HO=0.7800D+00*OP2+...\n & + 7.9000D-01 * RXRAT( 103 ) ! DCB3+HO=0.7900D+00*OP2+...\n & + 6.5000D-01 * RXRAT( 136 ) ! DCB1+O3=0.6500D+00*OP2+HO2+...\n & + 6.5000D-01 * RXRAT( 137 ) ! DCB2+O3=0.6500D+00*OP2+HO2+...\n & + 6.8000D-01 * RXRAT( 202 ) ! ADDC+NO=0.6800D+00*OP2+NO2+...\n & + RXRAT( 207 ) ! ADCN+NO=OP2+GLY+0.2000D+01*NO2\n & + RXRAT( 213 ) ! ETHP+HO2=OP2\n & + RXRAT( 214 ) ! HC3P+HO2=OP2\n & + RXRAT( 215 ) ! HC5P+HO2=OP2\n & + RXRAT( 216 ) ! HC8P+HO2=OP2\n & + RXRAT( 217 ) ! ETEP+HO2=OP2\n & + RXRAT( 218 ) ! OLTP+HO2=OP2\n & + RXRAT( 219 ) ! OLIP+HO2=OP2\n & + RXRAT( 220 ) ! BENP+HO2=OP2\n & + RXRAT( 221 ) ! TLP1+HO2=OP2\n & + RXRAT( 222 ) ! TOLP+HO2=OP2\n & + RXRAT( 223 ) ! PER1+HO2=OP2\n & + RXRAT( 224 ) ! XYL1+HO2=OP2\n & + RXRAT( 225 ) ! XYLP+HO2=OP2\n & + RXRAT( 226 ) ! PER2+HO2=OP2\n & + RXRAT( 227 ) ! XYOP+HO2=OP2\n & + RXRAT( 229 ) ! APIP+HO2=OP2\n & + RXRAT( 230 ) ! LIMP+HO2=OP2\n & + 8.5000D-01 * RXRAT( 233 ) ! ACTP+HO2=0.8500D+00*OP2+...\n & + RXRAT( 234 ) ! MEKP+HO2=OP2\n & + RXRAT( 235 ) ! KETP+HO2=OP2\n & + RXRAT( 238 ) ! MVKP+HO2=OP2\n & + RXRAT( 239 ) ! UALP+HO2=OP2\n & + RXRAT( 240 ) ! ADDC+HO2=OP2\n & + RXRAT( 242 ) ! MCTP+HO2=OP2\n & + RXRAT( 243 ) ! ORAP+HO2=OP2\n & + RXRAT( 246 ) ! ADCN+HO2=OP2\n & + RXRAT( 247 ) ! XO2+HO2=OP2\n & + 6.8000D-01 * RXRAT( 278 ) ! ADDC+MO2=0.6800D+00*OP2+...\n & + 7.0000D-01 * RXRAT( 283 ) ! ADCN+MO2=0.7000D+00*OP2+...\n & + 6.8000D-01 * RXRAT( 314 ) ! ADDC+ACO3=0.6800D+00*OP2+...\n & + 7.0000D-01 * RXRAT( 319 ) ! ADCN+ACO3=0.7000D+00*OP2+...\n & + 6.8000D-01 * RXRAT( 352 ) ! ADDC+NO3=0.6800D+00*OP2+...\n & + RXRAT( 357 ) ! ADCN+NO3=OP2+GLY+0.2000D+...\n LOSS( OP2 ) = RXRAT( 29 ) ! OP2=HO+HO2+ALD\n & + RXRAT( 114 ) ! OP2+HO=0.1000D-01*HO+...\n\n PROD( PAA ) = 1.1000D-01 * RXRAT( 138 ) ! DCB3+O3=0.1100D+00*PAA+HO2+...\n & + 4.1000D-01 * RXRAT( 231 ) ! ACO3+HO2=0.4100D+00*PAA+...\n & + 4.1000D-01 * RXRAT( 232 ) ! RCO3+HO2=0.4100D+00*PAA+...\n LOSS( PAA ) = RXRAT( 30 ) ! PAA=HO+MO2\n & + RXRAT( 119 ) ! PAA+HO=0.3500D+00*HO+...\n\n PROD( ONIT ) = RXRAT( 152 ) ! UALD+NO3=ONIT+XO2+0.6680D+...\n & + 6.5000D-02 * RXRAT( 174 ) ! HC3P+NO=0.6500D-01*ONIT+...\n & + 1.3600D-01 * RXRAT( 175 ) ! HC5P+NO=0.1360D+00*ONIT+...\n & + 2.6100D-01 * RXRAT( 176 ) ! HC8P+NO=0.2610D+00*ONIT+...\n & + 3.0000D-02 * RXRAT( 178 ) ! OLTP+NO=0.3000D-01*ONIT+...\n & + 5.0000D-02 * RXRAT( 179 ) ! OLIP+NO=0.5000D-01*ONIT+...\n & + 8.2000D-02 * RXRAT( 180 ) ! BENP+NO=0.8200D-01*ONIT+...\n & + 5.0000D-02 * RXRAT( 182 ) ! TOLP+NO=0.5000D-01*ONIT+...\n & + 5.0000D-02 * RXRAT( 183 ) ! PER1+NO=0.5000D-01*ONIT+...\n & + 5.0000D-02 * RXRAT( 185 ) ! XYLP+NO=0.5000D-01*ONIT+...\n & + 5.0000D-02 * RXRAT( 186 ) ! PER2+NO=0.5000D-01*ONIT+...\n & + 5.0000D-02 * RXRAT( 187 ) ! XYOP+NO=0.5000D-01*ONIT+...\n & + 1.8000D-01 * RXRAT( 189 ) ! APIP+NO=0.1800D+00*ONIT+...\n & + RXRAT( 205 ) ! OLNN+NO=ONIT+HO2+NO2\n & + RXRAT( 209 ) ! BAL2+NO2=ONIT\n & + RXRAT( 210 ) ! CHO+NO2=ONIT\n & + RXRAT( 211 ) ! MCTO+NO2=ONIT\n & + RXRAT( 244 ) ! OLNN+HO2=ONIT\n & + RXRAT( 245 ) ! OLND+HO2=ONIT\n & + RXRAT( 281 ) ! OLNN+MO2=ONIT+HCHO+0.2000D+...\n & + 5.0000D-01 * RXRAT( 282 ) ! OLND+MO2=0.5000D+00*ONIT+...\n & + 3.0000D-01 * RXRAT( 283 ) ! ADCN+MO2=0.3000D+00*ONIT+...\n & + RXRAT( 317 ) ! OLNN+ACO3=ONIT+MO2+HO2\n & + 3.0000D-01 * RXRAT( 319 ) ! ADCN+ACO3=0.3000D+00*ONIT+...\n & + RXRAT( 355 ) ! OLNN+NO3=ONIT+NO2+HO2\n & + 2.0000D+00 * RXRAT( 358 ) ! OLNN+OLNN=0.2000D+01*ONIT+HO2\n & + 1.5000D+00 * RXRAT( 359 ) ! OLNN+OLND=0.1500D+01*ONIT+...\n & + RXRAT( 360 ) ! OLND+OLND=ONIT+0.5040D+...\n LOSS( ONIT ) = RXRAT( 31 ) ! ONIT=HO2+NO2+0.2000D+...\n & + RXRAT( 123 ) ! ONIT+HO=HC3P+NO2\n\n PROD( SO2 ) = 0.0D0\n LOSS( SO2 ) = RXRAT( 69 ) ! SO2+HO=HO2+SULF+SULRXN\n\n PROD( SULF ) = RXRAT( 69 ) ! SO2+HO=SULF+HO2+SULRXN\n LOSS( SULF ) = 0.0D0\n\n PROD( SULRXN ) = RXRAT( 69 ) ! SO2+HO=SULRXN+SULF+HO2\n LOSS( SULRXN ) = 0.0D0\n\n PROD( ETH ) = 2.0000D-02 * RXRAT( 127 ) ! OLT+O3=0.2000D-01*ETH+...\n & + 1.0000D-02 * RXRAT( 128 ) ! OLI+O3=0.1000D-01*ETH+...\n LOSS( ETH ) = RXRAT( 72 ) ! ETH+HO=ETHP\n\n PROD( HC3 ) = 1.5000D-02 * RXRAT( 127 ) ! OLT+O3=0.1500D-01*HC3+...\n & + 1.0000D-02 * RXRAT( 128 ) ! OLI+O3=0.1000D-01*HC3+...\n LOSS( HC3 ) = RXRAT( 73 ) ! HC3+HO=HC3P\n\n PROD( HC3P ) = RXRAT( 73 ) ! HC3+HO=HC3P\n & + 4.4000D-01 * RXRAT( 114 ) ! OP2+HO=0.4400D+00*HC3P+...\n & + RXRAT( 123 ) ! ONIT+HO=HC3P+NO2\n & + 4.0000D-02 * RXRAT( 127 ) ! OLT+O3=0.4000D-01*HC3P+...\n & + 4.0000D-02 * RXRAT( 128 ) ! OLI+O3=0.4000D-01*HC3P+...\n LOSS( HC3P ) = RXRAT( 174 ) ! HC3P+NO=0.6600D+00*HO2+...\n & + RXRAT( 214 ) ! HC3P+HO2=OP2\n & + RXRAT( 250 ) ! HC3P+MO2=0.8940D+00*HO2+...\n & + RXRAT( 286 ) ! HC3P+ACO3=0.3940D+00*HO2+...\n & + RXRAT( 324 ) ! HC3P+NO3=0.2540D+00*HO2+...\n\n PROD( HC5 ) = 6.0000D-03 * RXRAT( 127 ) ! OLT+O3=0.6000D-02*HC5+...\n LOSS( HC5 ) = RXRAT( 74 ) ! HC5+HO=HC5P\n\n PROD( HC5P ) = RXRAT( 74 ) ! HC5+HO=HC5P\n & + 2.0000D-02 * RXRAT( 127 ) ! OLT+O3=0.2000D-01*HC5P+...\n LOSS( HC5P ) = RXRAT( 175 ) ! HC5P+NO=0.2000D+00*HO2+...\n & + RXRAT( 215 ) ! HC5P+HO2=OP2\n & + RXRAT( 251 ) ! HC5P+MO2=0.8420D+00*HO2+...\n & + RXRAT( 287 ) ! HC5P+ACO3=0.3420D+00*HO2+...\n & + RXRAT( 325 ) ! HC5P+NO3=0.4880D+00*HO2+...\n\n PROD( HC8 ) = 0.0D0\n LOSS( HC8 ) = RXRAT( 75 ) ! HC8+HO=0.4900D-01*HO2+...\n\n PROD( HC8P ) = 9.5100D-01 * RXRAT( 75 ) ! HC8+HO=0.9510D+00*HC8P+...\n LOSS( HC8P ) = RXRAT( 176 ) ! HC8P+NO=0.6060D+00*HO2+...\n & + RXRAT( 216 ) ! HC8P+HO2=OP2\n & + RXRAT( 252 ) ! HC8P+MO2=0.9100D+00*HO2+...\n & + RXRAT( 288 ) ! HC8P+ACO3=0.3030D+00*HO2+...\n & + RXRAT( 326 ) ! HC8P+NO3=0.8200D+00*HO2+...\n\n PROD( ETE ) = 0.0D0\n LOSS( ETE ) = RXRAT( 76 ) ! ETE+HO=ETEP\n & + RXRAT( 126 ) ! ETE+O3=0.8000D-01*HO+...\n & + RXRAT( 141 ) ! ETE+NO3=0.8000D+00*OLNN+...\n\n PROD( ETEP ) = RXRAT( 76 ) ! ETE+HO=ETEP\n LOSS( ETEP ) = RXRAT( 177 ) ! ETEP+NO=HO2+NO2+0.1600D+...\n & + RXRAT( 217 ) ! ETEP+HO2=OP2\n & + RXRAT( 253 ) ! ETEP+MO2=HO2+0.1950D+...\n & + RXRAT( 289 ) ! ETEP+ACO3=0.5000D+00*HO2+...\n & + RXRAT( 327 ) ! ETEP+NO3=HO2+NO2+0.1600D+...\n\n PROD( OLT ) = 3.5000D-01 * RXRAT( 129 ) ! DIEN+O3=0.3500D+00*OLT+...\n & + 1.5300D-01 * RXRAT( 130 ) ! ISO+O3=0.1530D+00*OLT+...\n & + 4.6000D-01 * RXRAT( 132 ) ! LIM+O3=0.4600D+00*OLT+...\n LOSS( OLT ) = RXRAT( 77 ) ! OLT+HO=OLTP\n & + RXRAT( 127 ) ! OLT+O3=0.2200D+00*HO+...\n & + RXRAT( 142 ) ! OLT+NO3=0.4300D+00*OLNN+...\n\n PROD( OLTP ) = RXRAT( 77 ) ! OLT+HO=OLTP\n LOSS( OLTP ) = RXRAT( 178 ) ! OLTP+NO=0.7800D+00*HO2+...\n & + RXRAT( 218 ) ! OLTP+HO2=OP2\n & + RXRAT( 254 ) ! OLTP+MO2=HO2+0.1500D+...\n & + RXRAT( 290 ) ! OLTP+ACO3=0.5000D+00*HO2+...\n & + RXRAT( 328 ) ! OLTP+NO3=0.4700D+00*ALD+...\n\n PROD( OLI ) = 5.0000D-02 * RXRAT( 190 ) ! LIMP+NO=0.5000D-01*OLI+...\n & + 1.9200D-01 * RXRAT( 266 ) ! LIMP+MO2=0.1920D+00*OLI+...\n & + 1.9200D-01 * RXRAT( 302 ) ! LIMP+ACO3=0.1920D+00*OLI+...\n & + 3.8500D-01 * RXRAT( 340 ) ! LIMP+NO3=0.3850D+00*OLI+...\n LOSS( OLI ) = RXRAT( 78 ) ! OLI+HO=OLIP\n & + RXRAT( 128 ) ! OLI+O3=0.4600D+00*HO+...\n & + RXRAT( 143 ) ! OLI+NO3=0.1100D+00*OLNN+...\n\n PROD( OLIP ) = RXRAT( 78 ) ! OLI+HO=OLIP\n & + RXRAT( 79 ) ! DIEN+HO=OLIP\n LOSS( OLIP ) = RXRAT( 179 ) ! OLIP+NO=0.8300D+00*HO2+...\n & + RXRAT( 219 ) ! OLIP+HO2=OP2\n & + RXRAT( 255 ) ! OLIP+MO2=HO2+0.7500D+...\n & + RXRAT( 291 ) ! OLIP+ACO3=0.5000D+00*HO2+...\n & + RXRAT( 329 ) ! OLIP+NO3=0.8600D+00*HO2+...\n\n PROD( DIEN ) = 0.0D0\n LOSS( DIEN ) = RXRAT( 79 ) ! DIEN+HO=OLIP\n & + RXRAT( 129 ) ! DIEN+O3=0.9000D-01*O3P+...\n & + RXRAT( 144 ) ! DIEN+NO3=0.9000D+00*OLNN+...\n\n PROD( ACE ) = 0.0D0\n LOSS( ACE ) = RXRAT( 80 ) ! ACE+HO=0.6500D+00*HO+...\n\n PROD( ORA1 ) = 3.5000D-01 * RXRAT( 80 ) ! ACE+HO=0.3500D+00*ORA1+...\n & + 3.7000D-01 * RXRAT( 126 ) ! ETE+O3=0.3700D+00*ORA1+...\n & + 3.0000D-02 * RXRAT( 127 ) ! OLT+O3=0.3000D-01*ORA1+...\n & + 1.5000D-01 * RXRAT( 129 ) ! DIEN+O3=0.1500D+00*ORA1+...\n & + 2.8000D-01 * RXRAT( 130 ) ! ISO+O3=0.2800D+00*ORA1+...\n & + 1.0000D-02 * RXRAT( 132 ) ! LIM+O3=0.1000D-01*ORA1+...\n & + 4.5000D-01 * RXRAT( 133 ) ! MACR+O3=0.4500D+00*ORA1+...\n & + 7.0000D-02 * RXRAT( 134 ) ! MVK+O3=0.7000D-01*ORA1+...\n & + 4.4000D-02 * RXRAT( 135 ) ! UALD+O3=0.4400D-01*ORA1+...\n & + 2.5000D-01 * RXRAT( 138 ) ! DCB3+O3=0.2500D+00*ORA1+...\n & + 7.0000D-02 * RXRAT( 189 ) ! APIP+NO=0.7000D-01*ORA1+...\n & + 7.0000D-02 * RXRAT( 190 ) ! LIMP+NO=0.7000D-01*ORA1+...\n LOSS( ORA1 ) = RXRAT( 117 ) ! ORA1+HO=HO2\n\n PROD( BENZENE ) = 3.2000D-02 * RXRAT( 127 ) ! OLT+O3=0.3200D-01*BENZENE+...\n LOSS( BENZENE ) = RXRAT( 81 ) ! BENZENE+HO=0.6480D+00*HO2+...\n\n PROD( BENP ) = 3.5200D-01 * RXRAT( 81 ) ! BENZENE+HO=0.3520D+00*BENP+...\n LOSS( BENP ) = RXRAT( 180 ) ! BENP+NO=0.9180D+00*HO2+...\n & + RXRAT( 220 ) ! BENP+HO2=OP2\n & + RXRAT( 256 ) ! BENP+MO2=0.1600D+01*HO2+...\n & + RXRAT( 292 ) ! BENP+ACO3=0.6000D+00*HO2+...\n & + RXRAT( 330 ) ! BENP+NO3=HO2+NO2+0.5000D+...\n\n PROD( EPX ) = 1.1800D-01 * RXRAT( 81 ) ! BENZENE+HO=0.1180D+00*EPX+...\n & + 2.8000D-01 * RXRAT( 160 ) ! TR2=0.2800D+00*EPX+0.2900D+...\n & + 8.4000D-01 * RXRAT( 162 ) ! XY2=0.8400D+00*EPX+0.3080D+...\n & + 8.4000D-01 * RXRAT( 164 ) ! XYO2=0.8400D+00*EPX+...\n LOSS( EPX ) = RXRAT( 107 ) ! EPX+HO=HO2+XO2+CO+ALD\n & + RXRAT( 139 ) ! EPX+O3=0.5000D-01*HO+...\n & + RXRAT( 157 ) ! EPX+NO3=0.5000D+00*HO+...\n\n PROD( PHEN ) = 5.3000D-01 * RXRAT( 81 ) ! BENZENE+HO=0.5300D+00*PHEN+...\n LOSS( PHEN ) = RXRAT( 105 ) ! PHEN+HO=0.7300D+00*HO2+...\n & + RXRAT( 155 ) ! PHEN+NO3=0.4000D+00*CHO+...\n\n PROD( BENZRO2 ) = RXRAT( 81 ) ! BENZENE+HO=BENZRO2+0.3520D+...\n LOSS( BENZRO2 ) = RXRAT( 368 ) ! BENZRO2+NO=NO+BNZNRXN\n & + RXRAT( 369 ) ! BENZRO2+HO2=HO2+BNZHRXN\n\n PROD( TOL ) = 0.0D0\n LOSS( TOL ) = RXRAT( 82 ) ! TOL+HO=0.1770D+00*HO2+...\n\n PROD( TR2 ) = 7.6300D-01 * RXRAT( 82 ) ! TOL+HO=0.7630D+00*TR2+...\n LOSS( TR2 ) = RXRAT( 160 ) ! TR2=0.2800D+00*HO+0.2900D+...\n\n PROD( TLP1 ) = 6.0000D-02 * RXRAT( 82 ) ! TOL+HO=0.6000D-01*TLP1+...\n LOSS( TLP1 ) = RXRAT( 181 ) ! TLP1+NO=NO2+BALD\n & + RXRAT( 221 ) ! TLP1+HO2=OP2\n & + RXRAT( 257 ) ! TLP1+MO2=HO2+HCHO+BALD\n & + RXRAT( 293 ) ! TLP1+ACO3=MO2+BALD\n & + RXRAT( 331 ) ! TLP1+NO3=NO2+BALD\n\n PROD( CSL ) = 1.7700D-01 * RXRAT( 82 ) ! TOL+HO=0.1770D+00*CSL+...\n & + 1.7700D-01 * RXRAT( 83 ) ! XYM+HO=0.1770D+00*CSL+...\n & + 1.7700D-01 * RXRAT( 84 ) ! XYP+HO=0.1770D+00*CSL+...\n & + 1.7700D-01 * RXRAT( 85 ) ! XYO+HO=0.1770D+00*CSL+...\n & + 1.0000D-02 * RXRAT( 160 ) ! TR2=0.1000D-01*CSL+0.2900D+...\n & + 1.0000D-02 * RXRAT( 161 ) ! TOLP=0.1000D-01*CSL+...\n & + 1.0000D-02 * RXRAT( 162 ) ! XY2=0.1000D-01*CSL+0.3080D+...\n & + 1.0000D-02 * RXRAT( 163 ) ! XYLP=0.1000D-01*CSL+...\n & + 1.0000D-02 * RXRAT( 164 ) ! XYO2=0.1000D-01*CSL+...\n & + 1.0000D-02 * RXRAT( 165 ) ! XYOP=0.1000D-01*CSL+...\n & + RXRAT( 241 ) ! CHO+HO2=CSL\n LOSS( CSL ) = RXRAT( 106 ) ! CSL+HO=0.7300D+00*HO2+...\n & + RXRAT( 156 ) ! CSL+NO3=0.4000D+00*CHO+...\n\n PROD( TOLRO2 ) = RXRAT( 82 ) ! TOL+HO=TOLRO2+0.7630D+...\n LOSS( TOLRO2 ) = RXRAT( 364 ) ! TOLRO2+NO=NO+TOLNRXN\n & + RXRAT( 365 ) ! TOLRO2+HO2=HO2+TOLHRXN\n\n PROD( XYM ) = 0.0D0\n LOSS( XYM ) = RXRAT( 83 ) ! XYM+HO=0.1770D+00*HO2+...\n\n PROD( XY2 ) = 7.6300D-01 * RXRAT( 83 ) ! XYM+HO=0.7630D+00*XY2+...\n & + 7.6300D-01 * RXRAT( 84 ) ! XYP+HO=0.7630D+00*XY2+...\n LOSS( XY2 ) = RXRAT( 162 ) ! XY2=0.1580D+00*HO+0.3080D+...\n\n PROD( XYL1 ) = 6.0000D-02 * RXRAT( 83 ) ! XYM+HO=0.6000D-01*XYL1+...\n & + 6.0000D-02 * RXRAT( 84 ) ! XYP+HO=0.6000D-01*XYL1+...\n & + 6.0000D-02 * RXRAT( 85 ) ! XYO+HO=0.6000D-01*XYL1+...\n LOSS( XYL1 ) = RXRAT( 184 ) ! XYL1+NO=NO2+BALD\n & + RXRAT( 224 ) ! XYL1+HO2=OP2\n & + RXRAT( 260 ) ! XYL1+MO2=HO2+HCHO+BALD\n & + RXRAT( 296 ) ! XYL1+ACO3=MO2+BALD\n & + RXRAT( 334 ) ! XYL1+NO3=NO2+BALD\n\n PROD( XYLRO2 ) = 9.8000D-01 * RXRAT( 83 ) ! XYM+HO=0.9800D+00*XYLRO2+...\n & + RXRAT( 84 ) ! XYP+HO=XYLRO2+0.7630D+...\n & + RXRAT( 85 ) ! XYO+HO=XYLRO2+0.7630D+...\n LOSS( XYLRO2 ) = RXRAT( 366 ) ! XYLRO2+NO=NO+XYLNRXN\n & + RXRAT( 367 ) ! XYLRO2+HO2=HO2+XYLHRXN\n\n PROD( XYP ) = 0.0D0\n LOSS( XYP ) = RXRAT( 84 ) ! XYP+HO=0.1770D+00*HO2+...\n\n PROD( XYO ) = 0.0D0\n LOSS( XYO ) = RXRAT( 85 ) ! XYO+HO=0.1770D+00*HO2+...\n\n PROD( XYO2 ) = 7.6300D-01 * RXRAT( 85 ) ! XYO+HO=0.7630D+00*XYO2+...\n LOSS( XYO2 ) = RXRAT( 164 ) ! XYO2=0.1580D+00*HO+0.3080D+...\n\n PROD( ISO ) = 0.0D0\n LOSS( ISO ) = RXRAT( 86 ) ! ISO+HO=ISOP+ISOPRXN\n & + RXRAT( 130 ) ! ISO+O3=0.2500D+00*HO+...\n & + RXRAT( 145 ) ! ISO+NO3=ISON+ISOPRXN\n\n PROD( ISOP ) = RXRAT( 86 ) ! ISO+HO=ISOP+ISOPRXN\n LOSS( ISOP ) = RXRAT( 188 ) ! ISOP+NO=0.8800D+00*HO2+...\n & + RXRAT( 228 ) ! ISOP+HO2=ISHP\n & + RXRAT( 264 ) ! ISOP+MO2=HO2+0.1310D+...\n & + RXRAT( 300 ) ! ISOP+ACO3=0.5000D+00*HO2+...\n & + RXRAT( 338 ) ! ISOP+NO3=HO2+NO2+0.7500D+...\n\n PROD( ISOPRXN ) = RXRAT( 86 ) ! ISO+HO=ISOPRXN+ISOP\n & + RXRAT( 145 ) ! ISO+NO3=ISOPRXN+ISON\n LOSS( ISOPRXN ) = 0.0D0\n\n PROD( API ) = 0.0D0\n LOSS( API ) = RXRAT( 87 ) ! API+HO=APIP+TRPRXN\n & + RXRAT( 131 ) ! API+O3=0.8500D+00*HO+...\n & + RXRAT( 146 ) ! API+NO3=0.1000D+00*OLNN+...\n\n PROD( APIP ) = RXRAT( 87 ) ! API+HO=APIP+TRPRXN\n LOSS( APIP ) = RXRAT( 189 ) ! APIP+NO=0.8200D+00*HO2+...\n & + RXRAT( 229 ) ! APIP+HO2=OP2\n & + RXRAT( 265 ) ! APIP+MO2=HO2+0.7500D+...\n & + RXRAT( 301 ) ! APIP+ACO3=0.5000D+00*HO2+...\n & + RXRAT( 339 ) ! APIP+NO3=HO2+NO2+ALD+KET\n\n PROD( TRPRXN ) = RXRAT( 87 ) ! API+HO=TRPRXN+APIP\n & + RXRAT( 88 ) ! LIM+HO=TRPRXN+LIMP\n & + RXRAT( 131 ) ! API+O3=TRPRXN+0.1000D+...\n & + RXRAT( 132 ) ! LIM+O3=TRPRXN+0.1000D+...\n & + RXRAT( 146 ) ! API+NO3=TRPRXN+0.9000D+...\n & + RXRAT( 147 ) ! LIM+NO3=TRPRXN+0.2900D+...\n LOSS( TRPRXN ) = 0.0D0\n\n PROD( LIM ) = 0.0D0\n LOSS( LIM ) = RXRAT( 88 ) ! LIM+HO=LIMP+TRPRXN\n & + RXRAT( 132 ) ! LIM+O3=0.8500D+00*HO+...\n & + RXRAT( 147 ) ! LIM+NO3=0.7100D+00*OLNN+...\n\n PROD( LIMP ) = RXRAT( 88 ) ! LIM+HO=LIMP+TRPRXN\n LOSS( LIMP ) = RXRAT( 190 ) ! LIMP+NO=HO2+0.6800D+...\n & + RXRAT( 230 ) ! LIMP+HO2=OP2\n & + RXRAT( 266 ) ! LIMP+MO2=HO2+0.1040D+...\n & + RXRAT( 302 ) ! LIMP+ACO3=0.5000D+00*HO2+...\n & + RXRAT( 340 ) ! LIMP+NO3=HO2+NO2+0.3850D+...\n\n PROD( RCO3 ) = RXRAT( 91 ) ! ALD+HO=RCO3\n & + 6.0000D-01 * RXRAT( 136 ) ! DCB1+O3=0.6000D+00*RCO3+...\n & + 6.0000D-01 * RXRAT( 137 ) ! DCB2+O3=0.6000D+00*RCO3+...\n & + RXRAT( 150 ) ! ALD+NO3=RCO3+HNO3\n & + 2.5000D-01 * RXRAT( 162 ) ! XY2=0.2500D+00*RCO3+...\n & + 2.5000D-01 * RXRAT( 164 ) ! XYO2=0.2500D+00*RCO3+...\n & + RXRAT( 169 ) ! PPN=RCO3+NO2\n LOSS( RCO3 ) = RXRAT( 168 ) ! RCO3+NO2=PPN\n & + RXRAT( 192 ) ! RCO3+NO=ETHP+NO2\n & + RXRAT( 232 ) ! RCO3+HO2=0.4400D+00*HO+...\n & + RXRAT( 268 ) ! RCO3+MO2=0.9000D+00*HO2+...\n & + RXRAT( 304 ) ! RCO3+ACO3=MO2+ETHP\n & + 2.0000D+00 * RXRAT( 321 ) ! RCO3+RCO3=0.2000D+01*ETHP\n & + RXRAT( 342 ) ! RCO3+NO3=ETHP+NO2\n & + RXRAT( 362 ) ! RCO3+XO2=ETHP\n\n PROD( ACTP ) = RXRAT( 92 ) ! ACT+HO=ACTP\n LOSS( ACTP ) = RXRAT( 193 ) ! ACTP+NO=ACO3+NO2+HCHO\n & + RXRAT( 233 ) ! ACTP+HO2=0.1500D+00*HO+...\n & + RXRAT( 269 ) ! ACTP+MO2=0.5000D+00*HO2+...\n & + RXRAT( 305 ) ! ACTP+ACO3=0.5000D+00*MO2+...\n & + RXRAT( 343 ) ! ACTP+NO3=ACO3+NO2+HCHO\n\n PROD( MEKP ) = RXRAT( 93 ) ! MEK+HO=MEKP\n LOSS( MEKP ) = RXRAT( 194 ) ! MEKP+NO=0.6700D+00*HO2+NO2+...\n & + RXRAT( 234 ) ! MEKP+HO2=OP2\n & + RXRAT( 270 ) ! MEKP+MO2=0.8340D+00*HO2+...\n & + RXRAT( 306 ) ! MEKP+ACO3=0.3300D+00*HO2+...\n & + RXRAT( 344 ) ! MEKP+NO3=0.6700D+00*HO2+...\n\n PROD( KETP ) = RXRAT( 94 ) ! KET+HO=KETP\n & + 2.0000D-02 * RXRAT( 129 ) ! DIEN+O3=0.2000D-01*KETP+...\n & + 4.2000D-01 * RXRAT( 131 ) ! API+O3=0.4200D+00*KETP+...\n & + 4.2000D-01 * RXRAT( 132 ) ! LIM+O3=0.4200D+00*KETP+...\n LOSS( KETP ) = RXRAT( 195 ) ! KETP+NO=0.7700D+00*HO2+...\n & + RXRAT( 235 ) ! KETP+HO2=OP2\n & + RXRAT( 271 ) ! KETP+MO2=HO2+0.7500D+...\n & + RXRAT( 307 ) ! KETP+ACO3=0.5000D+00*HO2+...\n & + RXRAT( 345 ) ! KETP+NO3=HO2+NO2+DCB1\n\n PROD( MCP ) = 4.3000D-01 * RXRAT( 96 ) ! MACR+HO=0.4300D+00*MCP+...\n LOSS( MCP ) = RXRAT( 197 ) ! MCP+NO=NO2+0.5000D+00*HO2+...\n & + RXRAT( 237 ) ! MCP+HO2=MAHP\n & + RXRAT( 273 ) ! MCP+MO2=NO2+HO2+0.1500D+...\n & + RXRAT( 309 ) ! MCP+ACO3=NO2+0.5000D+...\n & + RXRAT( 347 ) ! MCP+NO3=NO2+HO2+HCHO+HKET\n\n PROD( MVKP ) = RXRAT( 97 ) ! MVK+HO=MVKP\n LOSS( MVKP ) = RXRAT( 198 ) ! MVKP+NO=0.3000D+00*HO2+...\n & + RXRAT( 238 ) ! MVKP+HO2=OP2\n & + RXRAT( 274 ) ! MVKP+MO2=HO2+0.1160D+...\n & + RXRAT( 310 ) ! MVKP+ACO3=0.5000D+00*HO2+...\n & + RXRAT( 348 ) ! MVKP+NO3=0.3000D+00*HO2+...\n\n PROD( UALP ) = 6.8700D-01 * RXRAT( 98 ) ! UALD+HO=0.6870D+00*UALP+...\n LOSS( UALP ) = RXRAT( 199 ) ! UALP+NO=HO2+NO2+0.6100D+...\n & + RXRAT( 239 ) ! UALP+HO2=OP2\n & + RXRAT( 275 ) ! UALP+MO2=HO2+0.3050D+00*CO+...\n & + RXRAT( 311 ) ! UALP+ACO3=0.5000D+00*HO2+...\n & + RXRAT( 349 ) ! UALP+NO3=HO2+NO2+0.6100D+...\n\n PROD( DCB3 ) = 4.5900D-01 * RXRAT( 180 ) ! BENP+NO=0.4590D+00*DCB3+...\n & + 9.5000D-01 * RXRAT( 185 ) ! XYLP+NO=0.9500D+00*DCB3+...\n & + 1.0500D+00 * RXRAT( 186 ) ! PER2+NO=0.1050D+01*DCB3+...\n & + 1.7700D-01 * RXRAT( 187 ) ! XYOP+NO=0.1770D+00*DCB3+...\n & + 4.5900D-01 * RXRAT( 256 ) ! BENP+MO2=0.4590D+00*DCB3+...\n & + 1.0500D+00 * RXRAT( 262 ) ! PER2+MO2=0.1050D+01*DCB3+...\n & + 1.8600D-01 * RXRAT( 263 ) ! XYOP+MO2=0.1860D+00*DCB3+...\n & + 4.5800D-01 * RXRAT( 292 ) ! BENP+ACO3=0.4580D+00*DCB3+...\n & + 1.0500D+00 * RXRAT( 298 ) ! PER2+ACO3=0.1050D+01*DCB3+...\n & + 1.8600D-01 * RXRAT( 299 ) ! XYOP+ACO3=0.1860D+00*DCB3+...\n & + 5.0000D-01 * RXRAT( 330 ) ! BENP+NO3=0.5000D+00*DCB3+...\n & + RXRAT( 335 ) ! XYLP+NO3=DCB3+NO2+HO2\n & + 1.0500D+00 * RXRAT( 336 ) ! PER2+NO3=0.1050D+01*DCB3+...\n & + 1.8600D-01 * RXRAT( 337 ) ! XYOP+NO3=0.1860D+00*DCB3+...\n LOSS( DCB3 ) = RXRAT( 103 ) ! DCB3+HO=0.5600D+00*HO2+...\n & + RXRAT( 138 ) ! DCB3+O3=0.5000D-01*HO+HO2+...\n\n PROD( BALP ) = RXRAT( 104 ) ! BALD+HO=BALP\n LOSS( BALP ) = RXRAT( 200 ) ! BALP+NO=BAL1+NO2\n & + RXRAT( 276 ) ! BALP+MO2=HO2+BAL1+HCHO\n & + RXRAT( 312 ) ! BALP+ACO3=MO2+BAL1\n & + RXRAT( 350 ) ! BALP+NO3=BAL1+NO2\n\n PROD( ADDC ) = 2.0000D-01 * RXRAT( 105 ) ! PHEN+HO=0.2000D+00*ADDC+...\n & + 2.0000D-01 * RXRAT( 106 ) ! CSL+HO=0.2000D+00*ADDC+...\n & + 1.0000D-01 * RXRAT( 155 ) ! PHEN+NO3=0.1000D+00*ADDC+...\n & + 1.0000D-01 * RXRAT( 156 ) ! CSL+NO3=0.1000D+00*ADDC+...\n LOSS( ADDC ) = RXRAT( 202 ) ! ADDC+NO=HO2+NO2+0.3200D+...\n & + RXRAT( 240 ) ! ADDC+HO2=OP2\n & + RXRAT( 278 ) ! ADDC+MO2=0.2000D+01*HO2+...\n & + RXRAT( 314 ) ! ADDC+ACO3=0.2000D+01*HO2+...\n & + RXRAT( 352 ) ! ADDC+NO3=HO2+NO2+0.3200D+...\n\n PROD( MCT ) = 7.3000D-01 * RXRAT( 105 ) ! PHEN+HO=0.7300D+00*MCT+...\n & + 7.3000D-01 * RXRAT( 106 ) ! CSL+HO=0.7300D+00*MCT+...\n LOSS( MCT ) = RXRAT( 108 ) ! MCT+HO=MCTO\n & + RXRAT( 158 ) ! MCT+NO3=MCTO+HNO3\n\n PROD( MCTO ) = RXRAT( 108 ) ! MCT+HO=MCTO\n & + RXRAT( 158 ) ! MCT+NO3=MCTO+HNO3\n & + RXRAT( 203 ) ! MCTP+NO=MCTO+NO2\n & + RXRAT( 279 ) ! MCTP+MO2=MCTO+HO2+HCHO\n & + RXRAT( 315 ) ! MCTP+ACO3=MCTO+MO2+HO2\n & + RXRAT( 353 ) ! MCTP+NO3=MCTO+NO2\n LOSS( MCTO ) = RXRAT( 140 ) ! MCTO+O3=MCTP\n & + RXRAT( 211 ) ! MCTO+NO2=ONIT\n\n PROD( MOH ) = 6.3000D-01 * RXRAT( 248 ) ! MO2+MO2=0.6300D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 249 ) ! ETHP+MO2=0.2500D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 250 ) ! HC3P+MO2=0.2500D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 251 ) ! HC5P+MO2=0.2500D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 252 ) ! HC8P+MO2=0.2500D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 253 ) ! ETEP+MO2=0.2500D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 254 ) ! OLTP+MO2=0.2500D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 255 ) ! OLIP+MO2=0.2500D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 264 ) ! ISOP+MO2=0.2500D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 265 ) ! APIP+MO2=0.2500D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 266 ) ! LIMP+MO2=0.2500D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 269 ) ! ACTP+MO2=0.2500D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 270 ) ! MEKP+MO2=0.2500D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 271 ) ! KETP+MO2=0.2500D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 272 ) ! MACP+MO2=0.2500D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 273 ) ! MCP+MO2=0.2500D+00*MOH+HO2+...\n & + 2.5000D-01 * RXRAT( 274 ) ! MVKP+MO2=0.2500D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 275 ) ! UALP+MO2=0.2500D+00*MOH+...\n & + 2.5000D-01 * RXRAT( 282 ) ! OLND+MO2=0.2500D+00*MOH+...\n LOSS( MOH ) = RXRAT( 109 ) ! MOH+HO=HO2+HCHO\n\n PROD( EOH ) = 2.5000D-01 * RXRAT( 249 ) ! ETHP+MO2=0.2500D+00*EOH+...\n LOSS( EOH ) = RXRAT( 110 ) ! EOH+HO=HO2+ACD\n\n PROD( ROH ) = 2.5000D-01 * RXRAT( 250 ) ! HC3P+MO2=0.2500D+00*ROH+...\n & + 2.5000D-01 * RXRAT( 251 ) ! HC5P+MO2=0.2500D+00*ROH+...\n & + 2.5000D-01 * RXRAT( 252 ) ! HC8P+MO2=0.2500D+00*ROH+...\n & + 2.5000D-01 * RXRAT( 254 ) ! OLTP+MO2=0.2500D+00*ROH+...\n & + 2.5000D-01 * RXRAT( 255 ) ! OLIP+MO2=0.2500D+00*ROH+...\n & + 2.5000D-01 * RXRAT( 264 ) ! ISOP+MO2=0.2500D+00*ROH+...\n & + 2.5000D-01 * RXRAT( 265 ) ! APIP+MO2=0.2500D+00*ROH+...\n & + 2.5000D-01 * RXRAT( 266 ) ! LIMP+MO2=0.2500D+00*ROH+...\n & + 2.5000D-01 * RXRAT( 269 ) ! ACTP+MO2=0.2500D+00*ROH+...\n & + 2.5000D-01 * RXRAT( 270 ) ! MEKP+MO2=0.2500D+00*ROH+...\n & + 2.5000D-01 * RXRAT( 271 ) ! KETP+MO2=0.2500D+00*ROH+...\n & + 2.5000D-01 * RXRAT( 272 ) ! MACP+MO2=0.2500D+00*ROH+...\n & + 2.5000D-01 * RXRAT( 273 ) ! MCP+MO2=0.2500D+00*ROH+HO2+...\n & + 2.5000D-01 * RXRAT( 274 ) ! MVKP+MO2=0.2500D+00*ROH+...\n & + 2.5000D-01 * RXRAT( 275 ) ! UALP+MO2=0.2500D+00*ROH+...\n & + 2.5000D-01 * RXRAT( 282 ) ! OLND+MO2=0.2500D+00*ROH+...\n LOSS( ROH ) = RXRAT( 111 ) ! ROH+HO=HO2+0.7190D+00*ALD+...\n\n PROD( ETEG ) = 2.5000D-01 * RXRAT( 253 ) ! ETEP+MO2=0.2500D+00*ETEG+...\n LOSS( ETEG ) = RXRAT( 112 ) ! ETEG+HO=HO2+ALD\n\n PROD( ISHP ) = RXRAT( 228 ) ! ISOP+HO2=ISHP\n LOSS( ISHP ) = RXRAT( 115 ) ! ISHP+HO=HO+MACR+0.9040D+...\n\n PROD( IEPOX ) = 9.0400D-01 * RXRAT( 115 ) ! ISHP+HO=0.9040D+00*IEPOX+...\n LOSS( IEPOX ) = RXRAT( 377 ) ! IEPOX+HO=HO\n & + RXRAT( 381 ) ! IEPOX=AISO3J\n\n PROD( MAHP ) = RXRAT( 236 ) ! MACP+HO2=MAHP\n & + RXRAT( 237 ) ! MCP+HO2=MAHP\n LOSS( MAHP ) = RXRAT( 116 ) ! MAHP+HO=MACP\n\n PROD( ORA2 ) = 6.0000D-02 * RXRAT( 127 ) ! OLT+O3=0.6000D-01*ORA2+...\n & + 1.7000D-02 * RXRAT( 128 ) ! OLI+O3=0.1700D-01*ORA2+...\n & + 7.0000D-02 * RXRAT( 132 ) ! LIM+O3=0.7000D-01*ORA2+...\n & + 7.0000D-02 * RXRAT( 134 ) ! MVK+O3=0.7000D-01*ORA2+...\n & + 2.5000D-01 * RXRAT( 138 ) ! DCB3+O3=0.2500D+00*ORA2+...\n & + 1.5000D-01 * RXRAT( 231 ) ! ACO3+HO2=0.1500D+00*ORA2+...\n & + 1.5000D-01 * RXRAT( 232 ) ! RCO3+HO2=0.1500D+00*ORA2+...\n & + 1.0000D-01 * RXRAT( 267 ) ! ACO3+MO2=0.1000D+00*ORA2+...\n & + 1.0000D-01 * RXRAT( 268 ) ! RCO3+MO2=0.1000D+00*ORA2+...\n & + 1.2500D-01 * RXRAT( 269 ) ! ACTP+MO2=0.1250D+00*ORA2+...\n & + 6.7000D-02 * RXRAT( 272 ) ! MACP+MO2=0.6700D-01*ORA2+...\n & + 2.9200D-01 * RXRAT( 274 ) ! MVKP+MO2=0.2920D+00*ORA2+...\n & + 5.0000D-01 * RXRAT( 285 ) ! ETHP+ACO3=0.5000D+00*ORA2+...\n & + 5.0000D-01 * RXRAT( 286 ) ! HC3P+ACO3=0.5000D+00*ORA2+...\n & + 5.0000D-01 * RXRAT( 287 ) ! HC5P+ACO3=0.5000D+00*ORA2+...\n & + 4.9500D-01 * RXRAT( 288 ) ! HC8P+ACO3=0.4950D+00*ORA2+...\n & + 5.0000D-01 * RXRAT( 289 ) ! ETEP+ACO3=0.5000D+00*ORA2+...\n & + 5.0000D-01 * RXRAT( 290 ) ! OLTP+ACO3=0.5000D+00*ORA2+...\n & + 5.0000D-01 * RXRAT( 291 ) ! OLIP+ACO3=0.5000D+00*ORA2+...\n & + 5.0000D-01 * RXRAT( 300 ) ! ISOP+ACO3=0.5000D+00*ORA2+...\n & + RXRAT( 301 ) ! APIP+ACO3=ORA2+0.5000D+...\n & + 5.0000D-01 * RXRAT( 302 ) ! LIMP+ACO3=0.5000D+00*ORA2+...\n & + 7.5000D-01 * RXRAT( 305 ) ! ACTP+ACO3=0.7500D+00*ORA2+...\n & + 5.0000D-01 * RXRAT( 306 ) ! MEKP+ACO3=0.5000D+00*ORA2+...\n & + 5.0000D-01 * RXRAT( 307 ) ! KETP+ACO3=0.5000D+00*ORA2+...\n & + 6.3500D-01 * RXRAT( 308 ) ! MACP+ACO3=0.6350D+00*ORA2+...\n & + 5.0000D-01 * RXRAT( 309 ) ! MCP+ACO3=0.5000D+00*ORA2+...\n & + 1.0830D+00 * RXRAT( 310 ) ! MVKP+ACO3=0.1083D+01*ORA2+...\n & + 5.0000D-01 * RXRAT( 311 ) ! UALP+ACO3=0.5000D+00*ORA2+...\n & + 5.0000D-01 * RXRAT( 318 ) ! OLND+ACO3=0.5000D+00*ORA2+...\n LOSS( ORA2 ) = RXRAT( 118 ) ! ORA2+HO=0.6400D+00*MO2+...\n\n PROD( ORAP ) = 3.6000D-01 * RXRAT( 118 ) ! ORA2+HO=0.3600D+00*ORAP+...\n LOSS( ORAP ) = RXRAT( 204 ) ! ORAP+NO=NO2+GLY+HO2\n & + RXRAT( 243 ) ! ORAP+HO2=OP2\n & + RXRAT( 280 ) ! ORAP+MO2=HCHO+HO2+GLY\n & + RXRAT( 316 ) ! ORAP+ACO3=MO2+GLY\n & + RXRAT( 354 ) ! ORAP+NO3=NO2+GLY+HO2\n\n PROD( PPN ) = RXRAT( 168 ) ! RCO3+NO2=PPN\n LOSS( PPN ) = RXRAT( 121 ) ! PPN+HO=XO2+NO3+HCHO\n & + RXRAT( 169 ) ! PPN=RCO3+NO2\n\n PROD( MPAN ) = RXRAT( 170 ) ! MACP+NO2=MPAN\n LOSS( MPAN ) = RXRAT( 122 ) ! MPAN+HO=NO2+HKET\n & + RXRAT( 159 ) ! MPAN+NO3=MACP+NO2\n & + RXRAT( 171 ) ! MPAN=MACP+NO2\n\n PROD( NALD ) = RXRAT( 125 ) ! ISON+HO=NALD+0.7000D-...\n LOSS( NALD ) = RXRAT( 124 ) ! NALD+HO=NO2+XO2+HKET\n\n PROD( ISON ) = RXRAT( 145 ) ! ISO+NO3=ISON+ISOPRXN\n & + 1.2000D-01 * RXRAT( 188 ) ! ISOP+NO=0.1200D+00*ISON+...\n LOSS( ISON ) = RXRAT( 125 ) ! ISON+HO=NALD+0.7000D-...\n\n PROD( MCTP ) = RXRAT( 140 ) ! MCTO+O3=MCTP\n LOSS( MCTP ) = RXRAT( 203 ) ! MCTP+NO=MCTO+NO2\n & + RXRAT( 242 ) ! MCTP+HO2=OP2\n & + RXRAT( 279 ) ! MCTP+MO2=HO2+MCTO+HCHO\n & + RXRAT( 315 ) ! MCTP+ACO3=HO2+MO2+MCTO\n & + RXRAT( 353 ) ! MCTP+NO3=NO2+MCTO\n\n PROD( OLNN ) = 8.0000D-01 * RXRAT( 141 ) ! ETE+NO3=0.8000D+00*OLNN+...\n & + 4.3000D-01 * RXRAT( 142 ) ! OLT+NO3=0.4300D+00*OLNN+...\n & + 1.1000D-01 * RXRAT( 143 ) ! OLI+NO3=0.1100D+00*OLNN+...\n & + 9.0000D-01 * RXRAT( 144 ) ! DIEN+NO3=0.9000D+00*OLNN+...\n & + 1.0000D-01 * RXRAT( 146 ) ! API+NO3=0.1000D+00*OLNN+...\n & + 7.1000D-01 * RXRAT( 147 ) ! LIM+NO3=0.7100D+00*OLNN+...\n LOSS( OLNN ) = RXRAT( 205 ) ! OLNN+NO=NO2+HO2+ONIT\n & + RXRAT( 244 ) ! OLNN+HO2=ONIT\n & + RXRAT( 281 ) ! OLNN+MO2=0.2000D+01*HO2+...\n & + RXRAT( 317 ) ! OLNN+ACO3=HO2+MO2+ONIT\n & + RXRAT( 355 ) ! OLNN+NO3=HO2+NO2+ONIT\n & + 2.0000D+00 * RXRAT( 358 ) ! OLNN+OLNN=HO2+0.2000D+01*ONIT\n & + RXRAT( 359 ) ! OLNN+OLND=0.5000D+00*HO2+...\n\n PROD( OLND ) = 2.0000D-01 * RXRAT( 141 ) ! ETE+NO3=0.2000D+00*OLND+...\n & + 5.7000D-01 * RXRAT( 142 ) ! OLT+NO3=0.5700D+00*OLND+...\n & + 8.9000D-01 * RXRAT( 143 ) ! OLI+NO3=0.8900D+00*OLND+...\n & + 1.0000D-01 * RXRAT( 144 ) ! DIEN+NO3=0.1000D+00*OLND+...\n & + 9.0000D-01 * RXRAT( 146 ) ! API+NO3=0.9000D+00*OLND+...\n & + 2.9000D-01 * RXRAT( 147 ) ! LIM+NO3=0.2900D+00*OLND+...\n LOSS( OLND ) = RXRAT( 206 ) ! OLND+NO=0.2000D+01*NO2+...\n & + RXRAT( 245 ) ! OLND+HO2=ONIT\n & + RXRAT( 282 ) ! OLND+MO2=0.5000D+00*HO2+...\n & + RXRAT( 318 ) ! OLND+ACO3=0.5000D+00*MO2+...\n & + RXRAT( 356 ) ! OLND+NO3=0.2000D+01*NO2+...\n & + RXRAT( 359 ) ! OLND+OLNN=0.5000D+00*HO2+...\n & + 2.0000D+00 * RXRAT( 360 ) ! OLND+OLND=NO2+0.5040D+...\n\n PROD( ADCN ) = 5.0000D-01 * RXRAT( 155 ) ! PHEN+NO3=0.5000D+00*ADCN+...\n & + 5.0000D-01 * RXRAT( 156 ) ! CSL+NO3=0.5000D+00*ADCN+...\n LOSS( ADCN ) = RXRAT( 207 ) ! ADCN+NO=0.2000D+01*NO2+GLY+OP2\n & + RXRAT( 246 ) ! ADCN+HO2=OP2\n & + RXRAT( 283 ) ! ADCN+MO2=HO2+0.7000D+...\n & + RXRAT( 319 ) ! ADCN+ACO3=HO2+MO2+0.7000D+...\n & + RXRAT( 357 ) ! ADCN+NO3=0.2000D+01*NO2+...\n\n PROD( TOLP ) = 2.8000D-01 * RXRAT( 160 ) ! TR2=0.2800D+00*TOLP+...\n LOSS( TOLP ) = RXRAT( 161 ) ! TOLP=0.4900D+00*HO+0.1000D-...\n & + RXRAT( 182 ) ! TOLP+NO=0.9500D+00*HO2+...\n & + RXRAT( 222 ) ! TOLP+HO2=OP2\n & + RXRAT( 258 ) ! TOLP+MO2=0.2000D+01*HO2+...\n & + RXRAT( 294 ) ! TOLP+ACO3=HO2+MO2+DCB2\n & + RXRAT( 332 ) ! TOLP+NO3=HO2+NO2+DCB2\n\n PROD( PER1 ) = 1.5000D-01 * RXRAT( 160 ) ! TR2=0.1500D+00*PER1+...\n & + 5.0000D-01 * RXRAT( 161 ) ! TOLP=0.5000D+00*PER1+...\n LOSS( PER1 ) = RXRAT( 183 ) ! PER1+NO=0.5000D+00*HO2+...\n & + RXRAT( 223 ) ! PER1+HO2=OP2\n & + RXRAT( 259 ) ! PER1+MO2=0.2000D+01*HO2+...\n & + RXRAT( 295 ) ! PER1+ACO3=HO2+MO2+MGLY+DCB1\n & + RXRAT( 333 ) ! PER1+NO3=0.5000D+00*HO2+...\n\n PROD( XYLP ) = 3.0800D-01 * RXRAT( 162 ) ! XY2=0.3080D+00*XYLP+...\n LOSS( XYLP ) = RXRAT( 163 ) ! XYLP=0.3900D+00*HO+0.1000D-...\n & + RXRAT( 185 ) ! XYLP+NO=0.9500D+00*HO2+...\n & + RXRAT( 225 ) ! XYLP+HO2=OP2\n & + RXRAT( 261 ) ! XYLP+MO2=0.2000D+01*HO2+...\n & + RXRAT( 297 ) ! XYLP+ACO3=HO2+MO2+DCB2\n & + RXRAT( 335 ) ! XYLP+NO3=HO2+NO2+DCB3\n\n PROD( PER2 ) = 1.5000D-01 * RXRAT( 162 ) ! XY2=0.1500D+00*PER2+...\n & + 3.0000D-01 * RXRAT( 163 ) ! XYLP=0.3000D+00*PER2+...\n & + 1.5000D-01 * RXRAT( 164 ) ! XYO2=0.1500D+00*PER2+...\n & + 5.0000D-01 * RXRAT( 165 ) ! XYOP=0.5000D+00*PER2+...\n LOSS( PER2 ) = RXRAT( 186 ) ! PER2+NO=0.9500D+00*HO2+...\n & + RXRAT( 226 ) ! PER2+HO2=OP2\n & + RXRAT( 262 ) ! PER2+MO2=0.2000D+01*HO2+...\n & + RXRAT( 298 ) ! PER2+ACO3=HO2+MO2+MGLY+...\n & + RXRAT( 336 ) ! PER2+NO3=HO2+NO2+MGLY+DCB1+...\n\n PROD( XYOP ) = 3.0800D-01 * RXRAT( 164 ) ! XYO2=0.3080D+00*XYOP+...\n LOSS( XYOP ) = RXRAT( 165 ) ! XYOP=0.3900D+00*HO+0.1000D-...\n & + RXRAT( 187 ) ! XYOP+NO=0.9500D+00*HO2+...\n & + RXRAT( 227 ) ! XYOP+HO2=OP2\n & + RXRAT( 263 ) ! XYOP+MO2=0.2000D+01*HO2+...\n & + RXRAT( 299 ) ! XYOP+ACO3=HO2+MO2+0.3680D+...\n & + RXRAT( 337 ) ! XYOP+NO3=HO2+NO2+0.3680D+...\n\n PROD( BAL1 ) = RXRAT( 200 ) ! BALP+NO=BAL1+NO2\n & + RXRAT( 276 ) ! BALP+MO2=BAL1+HO2+HCHO\n & + RXRAT( 312 ) ! BALP+ACO3=BAL1+MO2\n & + RXRAT( 350 ) ! BALP+NO3=BAL1+NO2\n LOSS( BAL1 ) = RXRAT( 201 ) ! BAL1+NO=BAL2+NO2\n & + RXRAT( 277 ) ! BAL1+MO2=HO2+BAL2+HCHO\n & + RXRAT( 313 ) ! BAL1+ACO3=MO2+BAL2\n & + RXRAT( 351 ) ! BAL1+NO3=BAL2+NO2\n\n PROD( BAL2 ) = RXRAT( 201 ) ! BAL1+NO=BAL2+NO2\n & + RXRAT( 277 ) ! BAL1+MO2=BAL2+HO2+HCHO\n & + RXRAT( 313 ) ! BAL1+ACO3=BAL2+MO2\n & + RXRAT( 351 ) ! BAL1+NO3=BAL2+NO2\n LOSS( BAL2 ) = RXRAT( 209 ) ! BAL2+NO2=ONIT\n\n PROD( TOLNRXN ) = RXRAT( 364 ) ! TOLRO2+NO=TOLNRXN+NO\n LOSS( TOLNRXN ) = 0.0D0\n\n PROD( TOLHRXN ) = RXRAT( 365 ) ! TOLRO2+HO2=TOLHRXN+HO2\n LOSS( TOLHRXN ) = 0.0D0\n\n PROD( XYLNRXN ) = RXRAT( 366 ) ! XYLRO2+NO=XYLNRXN+NO\n LOSS( XYLNRXN ) = 0.0D0\n\n PROD( XYLHRXN ) = RXRAT( 367 ) ! XYLRO2+HO2=XYLHRXN+HO2\n LOSS( XYLHRXN ) = 0.0D0\n\n PROD( BNZNRXN ) = RXRAT( 368 ) ! BENZRO2+NO=BNZNRXN+NO\n LOSS( BNZNRXN ) = 0.0D0\n\n PROD( BNZHRXN ) = RXRAT( 369 ) ! BENZRO2+HO2=BNZHRXN+HO2\n LOSS( BNZHRXN ) = 0.0D0\n\n PROD( SESQ ) = 0.0D0\n LOSS( SESQ ) = RXRAT( 370 ) ! SESQ+O3=O3+SESQRXN\n & + RXRAT( 371 ) ! SESQ+HO=HO+SESQRXN\n & + RXRAT( 372 ) ! SESQ+NO3=NO3+SESQRXN\n\n PROD( SESQRXN ) = RXRAT( 370 ) ! SESQ+O3=SESQRXN+O3\n & + RXRAT( 371 ) ! SESQ+HO=SESQRXN+HO\n & + RXRAT( 372 ) ! SESQ+NO3=SESQRXN+NO3\n LOSS( SESQRXN ) = 0.0D0\n\n PROD( NAPH ) = 0.0D0\n LOSS( NAPH ) = RXRAT( 373 ) ! NAPH+HO=HO+PAHRO2\n\n PROD( PAHRO2 ) = RXRAT( 373 ) ! NAPH+HO=PAHRO2+HO\n LOSS( PAHRO2 ) = RXRAT( 374 ) ! PAHRO2+NO=NO+PAHNRXN\n & + RXRAT( 375 ) ! PAHRO2+HO2=HO2+PAHHRXN\n\n PROD( PAHNRXN ) = RXRAT( 374 ) ! PAHRO2+NO=PAHNRXN+NO\n LOSS( PAHNRXN ) = 0.0D0\n\n PROD( PAHHRXN ) = RXRAT( 375 ) ! PAHRO2+HO2=PAHHRXN+HO2\n LOSS( PAHHRXN ) = 0.0D0\n\n PROD( SOAALK ) = 0.0D0\n LOSS( SOAALK ) = RXRAT( 376 ) ! SOAALK+HO=HO+0.4700D+00*ALKRXN\n\n PROD( ALKRXN ) = 4.7000D-01 * RXRAT( 376 ) ! SOAALK+HO=0.4700D+00*ALKRXN+HO\n LOSS( ALKRXN ) = 0.0D0\n\n PROD( AISO3J ) = RXRAT( 381 ) ! IEPOX=AISO3J\n LOSS( AISO3J ) = 0.0D0\n\n PROD( AXYL1J ) = 0.0D0\n LOSS( AXYL1J ) = RXRAT( 382 ) ! AXYL1J=0.8571D+00*AOLGAJ\n\n PROD( AOLGAJ ) = 8.5710D-01 * RXRAT( 382 ) ! AXYL1J=0.8571D+00*AOLGAJ\n & + 1.1429D+00 * RXRAT( 383 ) ! AXYL2J=0.1143D+01*AOLGAJ\n & + 8.5710D-01 * RXRAT( 384 ) ! ATOL1J=0.8571D+00*AOLGAJ\n & + 1.1429D+00 * RXRAT( 385 ) ! ATOL2J=0.1143D+01*AOLGAJ\n & + 7.1430D-01 * RXRAT( 386 ) ! ABNZ1J=0.7143D+00*AOLGAJ\n & + 7.1430D-01 * RXRAT( 387 ) ! ABNZ2J=0.7143D+00*AOLGAJ\n & + 1.4286D+00 * RXRAT( 393 ) ! APAH1J=0.1429D+01*AOLGAJ\n & + 1.4286D+00 * RXRAT( 394 ) ! APAH2J=0.1429D+01*AOLGAJ\n & + 1.7143D+00 * RXRAT( 395 ) ! AALK1J=0.1714D+01*AOLGAJ\n & + 1.7143D+00 * RXRAT( 396 ) ! AALK2J=0.1714D+01*AOLGAJ\n LOSS( AOLGAJ ) = 0.0D0\n\n PROD( AXYL2J ) = 0.0D0\n LOSS( AXYL2J ) = RXRAT( 383 ) ! AXYL2J=0.1143D+01*AOLGAJ\n\n PROD( ATOL1J ) = 0.0D0\n LOSS( ATOL1J ) = RXRAT( 384 ) ! ATOL1J=0.8571D+00*AOLGAJ\n\n PROD( ATOL2J ) = 0.0D0\n LOSS( ATOL2J ) = RXRAT( 385 ) ! ATOL2J=0.1143D+01*AOLGAJ\n\n PROD( ABNZ1J ) = 0.0D0\n LOSS( ABNZ1J ) = RXRAT( 386 ) ! ABNZ1J=0.7143D+00*AOLGAJ\n\n PROD( ABNZ2J ) = 0.0D0\n LOSS( ABNZ2J ) = RXRAT( 387 ) ! ABNZ2J=0.7143D+00*AOLGAJ\n\n PROD( ATRP1J ) = 0.0D0\n LOSS( ATRP1J ) = RXRAT( 388 ) ! ATRP1J=0.8000D+00*AOLGBJ\n\n PROD( AOLGBJ ) = 8.0000D-01 * RXRAT( 388 ) ! ATRP1J=0.8000D+00*AOLGBJ\n & + 9.0000D-01 * RXRAT( 389 ) ! ATRP2J=0.9000D+00*AOLGBJ\n & + 5.0000D-01 * RXRAT( 390 ) ! AISO1J=0.5000D+00*AOLGBJ\n & + 5.0000D-01 * RXRAT( 391 ) ! AISO2J=0.5000D+00*AOLGBJ\n & + 1.5000D+00 * RXRAT( 392 ) ! ASQTJ=0.1500D+01*AOLGBJ\n LOSS( AOLGBJ ) = 0.0D0\n\n PROD( ATRP2J ) = 0.0D0\n LOSS( ATRP2J ) = RXRAT( 389 ) ! ATRP2J=0.9000D+00*AOLGBJ\n\n PROD( AISO1J ) = 0.0D0\n LOSS( AISO1J ) = RXRAT( 390 ) ! AISO1J=0.5000D+00*AOLGBJ\n\n PROD( AISO2J ) = 0.0D0\n LOSS( AISO2J ) = RXRAT( 391 ) ! AISO2J=0.5000D+00*AOLGBJ\n\n PROD( ASQTJ ) = 0.0D0\n LOSS( ASQTJ ) = RXRAT( 392 ) ! ASQTJ=0.1500D+01*AOLGBJ\n\n PROD( APAH1J ) = 0.0D0\n LOSS( APAH1J ) = RXRAT( 393 ) ! APAH1J=0.1429D+01*AOLGAJ\n\n PROD( APAH2J ) = 0.0D0\n LOSS( APAH2J ) = RXRAT( 394 ) ! APAH2J=0.1429D+01*AOLGAJ\n\n PROD( AALK1J ) = 0.0D0\n LOSS( AALK1J ) = RXRAT( 395 ) ! AALK1J=0.1714D+01*AOLGAJ\n\n PROD( AALK2J ) = 0.0D0\n LOSS( AALK2J ) = RXRAT( 396 ) ! AALK2J=0.1714D+01*AOLGAJ\n\n PROD( APOCI ) = 0.0D0\n LOSS( APOCI ) = 0.0D0\n\n PROD( APNCOMI ) = 1.2500D+00 * RXRAT( 397 ) ! APOCI+HO=0.1250D+...\n LOSS( APNCOMI ) = RXRAT( 398 ) ! APNCOMI+HO=HO\n\n PROD( APOCJ ) = 0.0D0\n LOSS( APOCJ ) = 0.0D0\n\n PROD( APNCOMJ ) = 1.2500D+00 * RXRAT( 399 ) ! APOCJ+HO=0.1250D+...\n LOSS( APNCOMJ ) = RXRAT( 400 ) ! APNCOMJ+HO=HO\n\n PROD( PCVOC ) = 0.0D0\n LOSS( PCVOC ) = RXRAT( 401 ) ! PCVOC+HO=HO+PCSOARXN\n\n PROD( PCSOARXN ) = RXRAT( 401 ) ! PCVOC+HO=PCSOARXN+HO\n LOSS( PCSOARXN ) = 0.0D0\n\n PROD( VLVPO1 ) = 3.0030D-01 * RXRAT( 403 ) ! VSVPO1+HO=0.3003D+...\n & + 3.8560D-01 * RXRAT( 404 ) ! VSVPO2+HO=0.3856D+...\n & + 2.1810D-01 * RXRAT( 405 ) ! VSVPO3+HO=0.2181D+...\n & + 2.4120D-01 * RXRAT( 406 ) ! VIVPO1+HO=0.2412D+...\n LOSS( VLVPO1 ) = 5.1430D-01 * RXRAT( 402 ) ! VLVPO1+HO=0.4857D+...\n\n PROD( VSVPO1 ) = 6.2000D-03 * RXRAT( 402 ) ! VLVPO1+HO=0.6200D-...\n & + 9.5000D-02 * RXRAT( 404 ) ! VSVPO2+HO=0.9500D-...\n & + 3.0630D-01 * RXRAT( 405 ) ! VSVPO3+HO=0.3063D+...\n & + 2.0890D-01 * RXRAT( 406 ) ! VIVPO1+HO=0.2089D+...\n LOSS( VSVPO1 ) = 7.1380D-01 * RXRAT( 403 ) ! VSVPO1+HO=0.2862D+...\n\n PROD( VSVPO2 ) = 2.5000D-03 * RXRAT( 402 ) ! VLVPO1+HO=0.2500D-...\n & + 4.1000D-03 * RXRAT( 403 ) ! VSVPO1+HO=0.4100D-...\n & + 1.5300D-02 * RXRAT( 405 ) ! VSVPO3+HO=0.1530D-...\n & + 3.0000D-01 * RXRAT( 406 ) ! VIVPO1+HO=0.3000D+...\n LOSS( VSVPO2 ) = 8.6270D-01 * RXRAT( 404 ) ! VSVPO2+HO=0.1373D+...\n\n PROD( VSVPO3 ) = 2.6000D-03 * RXRAT( 402 ) ! VLVPO1+HO=0.2600D-...\n & + 3.5000D-03 * RXRAT( 403 ) ! VSVPO1+HO=0.3500D-...\n & + 5.0000D-04 * RXRAT( 404 ) ! VSVPO2+HO=0.5000D-...\n LOSS( VSVPO3 ) = 8.9570D-01 * RXRAT( 405 ) ! VSVPO3+HO=0.1043D+...\n\n PROD( VIVPO1 ) = 2.3000D-03 * RXRAT( 402 ) ! VLVPO1+HO=0.2300D-...\n LOSS( VIVPO1 ) = RXRAT( 406 ) ! VIVPO1+HO=HO+0.2412D+...\n\n PROD( VLVOO1 ) = 2.9440D-01 * RXRAT( 402 ) ! VLVPO1+HO=0.2944D+...\n & + 2.2390D-01 * RXRAT( 403 ) ! VSVPO1+HO=0.2239D+...\n & + 2.0510D-01 * RXRAT( 404 ) ! VSVPO2+HO=0.2051D+...\n & + 1.8930D-01 * RXRAT( 405 ) ! VSVPO3+HO=0.1893D+...\n & + 2.0280D-01 * RXRAT( 406 ) ! VIVPO1+HO=0.2028D+...\n & + 2.8580D-01 * RXRAT( 408 ) ! VLVOO2+HO=0.2858D+...\n & + 3.3030D-01 * RXRAT( 409 ) ! VSVOO1+HO=0.3303D+...\n & + 3.4440D-01 * RXRAT( 410 ) ! VSVOO2+HO=0.3444D+...\n & + 3.8860D-01 * RXRAT( 411 ) ! VSVOO3+HO=0.3886D+...\n LOSS( VLVOO1 ) = 3.3360D-01 * RXRAT( 407 ) ! VLVOO1+HO=0.6664D+...\n\n PROD( VLVOO2 ) = 2.0210D-01 * RXRAT( 402 ) ! VLVPO1+HO=0.2021D+...\n & + 1.8200D-01 * RXRAT( 403 ) ! VSVPO1+HO=0.1820D+...\n & + 1.7640D-01 * RXRAT( 404 ) ! VSVPO2+HO=0.1764D+...\n & + 1.6680D-01 * RXRAT( 405 ) ! VSVPO3+HO=0.1668D+...\n & + 4.7100D-02 * RXRAT( 406 ) ! VIVPO1+HO=0.4710D-...\n & + 1.4300D-02 * RXRAT( 407 ) ! VLVOO1+HO=0.1430D-...\n & + 2.2720D-01 * RXRAT( 409 ) ! VSVOO1+HO=0.2272D+...\n & + 2.7490D-01 * RXRAT( 410 ) ! VSVOO2+HO=0.2749D+...\n & + 2.4210D-01 * RXRAT( 411 ) ! VSVOO3+HO=0.2421D+...\n LOSS( VLVOO2 ) = 6.0690D-01 * RXRAT( 408 ) ! VLVOO2+HO=0.3931D+...\n\n PROD( VSVOO2 ) = 1.9000D-03 * RXRAT( 402 ) ! VLVPO1+HO=0.1900D-...\n & + 1.2390D-01 * RXRAT( 407 ) ! VLVOO1+HO=0.1239D+...\n & + 1.0270D-01 * RXRAT( 408 ) ! VLVOO2+HO=0.1027D+...\n & + 7.0200D-02 * RXRAT( 409 ) ! VSVOO1+HO=0.7020D-...\n & + 3.8500D-02 * RXRAT( 411 ) ! VSVOO3+HO=0.3850D-...\n LOSS( VSVOO2 ) = 7.4230D-01 * RXRAT( 410 ) ! VSVOO2+HO=0.2577D+...\n\n PROD( VSVOO3 ) = 2.3000D-03 * RXRAT( 402 ) ! VLVPO1+HO=0.2300D-...\n & + 1.8310D-01 * RXRAT( 407 ) ! VLVOO1+HO=0.1831D+...\n & + 2.0450D-01 * RXRAT( 408 ) ! VLVOO2+HO=0.2045D+...\n & + 1.1160D-01 * RXRAT( 409 ) ! VSVOO1+HO=0.1116D+...\n & + 7.3900D-02 * RXRAT( 410 ) ! VSVOO2+HO=0.7390D-...\n LOSS( VSVOO3 ) = 7.3330D-01 * RXRAT( 411 ) ! VSVOO3+HO=0.2667D+...\n\n PROD( VSVOO1 ) = 1.2300D-02 * RXRAT( 407 ) ! VLVOO1+HO=0.1230D-...\n & + 1.3900D-02 * RXRAT( 408 ) ! VLVOO2+HO=0.1390D-...\n & + 4.9100D-02 * RXRAT( 410 ) ! VSVOO2+HO=0.4910D-...\n & + 6.4000D-02 * RXRAT( 411 ) ! VSVOO3+HO=0.6400D-...\n LOSS( VSVOO1 ) = 7.3930D-01 * RXRAT( 409 ) ! VSVOO1+HO=0.2607D+...\n\n RETURN\n\n END\n" }, { "path": "CCTM/src/gas/ebi_racm2_ae6_aq/hrrates.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE HRRATES\n\nC***********************************************************************\nC\nC FUNCTION: To calculate rates of reactions\nC\nC PRECONDITIONS: For the RACM2_AE6_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 8, 2022\nC\nC***********************************************************************\n USE HRDATA\n\n IMPLICIT NONE\n\nC.....INCLUDES: NONE\n\n\nC.....ARGUMENTS: NONE\n\n\nC.....PARAMETERS: NONE\n\n\nC.....EXTERNAL FUNCTIONS: NONE\n\n\nC.....SAVED VARIABLES: NONE\n! CHARACTER( 16 ), SAVE :: PNAME = 'HRRATES' ! Program name\n\n\nC.....LOCAL VARIABLES: None\n\nC***********************************************************************\nC..NOTE: RXRAT commented out are not referenced by any routine\n RXRAT( 1 ) = RKI( 1 ) * YC( O3 )\n RXRAT( 2 ) = RKI( 2 ) * YC( O3 )\n RXRAT( 3 ) = RKI( 3 ) * YC( H2O2 )\n! RXRAT( 4 ) = RKI( 4 ) * YC( NO2 )\n RXRAT( 5 ) = RKI( 5 ) * YC( NO3 )\n RXRAT( 6 ) = RKI( 6 ) * YC( NO3 )\n RXRAT( 7 ) = RKI( 7 ) * YC( HONO )\n RXRAT( 8 ) = RKI( 8 ) * YC( HNO3 )\n RXRAT( 9 ) = RKI( 9 ) * YC( HNO4 )\n RXRAT( 10 ) = RKI( 10 ) * YC( HCHO )\n RXRAT( 11 ) = RKI( 11 ) * YC( HCHO )\n RXRAT( 12 ) = RKI( 12 ) * YC( ACD )\n RXRAT( 13 ) = RKI( 13 ) * YC( ALD )\n RXRAT( 14 ) = RKI( 14 ) * YC( ACT )\n RXRAT( 15 ) = RKI( 15 ) * YC( UALD )\n RXRAT( 16 ) = RKI( 16 ) * YC( MEK )\n RXRAT( 17 ) = RKI( 17 ) * YC( KET )\n RXRAT( 18 ) = RKI( 18 ) * YC( HKET )\n RXRAT( 19 ) = RKI( 19 ) * YC( MACR )\n RXRAT( 20 ) = RKI( 20 ) * YC( MVK )\n RXRAT( 21 ) = RKI( 21 ) * YC( GLY )\n RXRAT( 22 ) = RKI( 22 ) * YC( GLY )\n RXRAT( 23 ) = RKI( 23 ) * YC( GLY )\n RXRAT( 24 ) = RKI( 24 ) * YC( MGLY )\n RXRAT( 25 ) = RKI( 25 ) * YC( DCB1 )\n RXRAT( 26 ) = RKI( 26 ) * YC( DCB2 )\n RXRAT( 27 ) = RKI( 27 ) * YC( BALD )\n RXRAT( 28 ) = RKI( 28 ) * YC( OP1 )\n RXRAT( 29 ) = RKI( 29 ) * YC( OP2 )\n RXRAT( 30 ) = RKI( 30 ) * YC( PAA )\n RXRAT( 31 ) = RKI( 31 ) * YC( ONIT )\n RXRAT( 32 ) = RKI( 32 ) * YC( PAN )\n RXRAT( 33 ) = RKI( 33 ) * YC( PAN )\n! RXRAT( 34 ) = RKI( 34 ) * YC( O3 ) * YC( HO )\n! RXRAT( 35 ) = RKI( 35 ) * YC( O3 ) * YC( HO2 )\n! RXRAT( 36 ) = RKI( 36 ) * YC( O3 ) * YC( NO )\n RXRAT( 37 ) = RKI( 37 ) * YC( O3 ) * YC( NO2 )\n! RXRAT( 38 ) = RKI( 38 ) * YC( O3P )\n! RXRAT( 39 ) = RKI( 39 ) * YC( O3P ) * YC( O3 )\n! RXRAT( 40 ) = RKI( 40 ) * YC( O1D )\n! RXRAT( 41 ) = RKI( 41 ) * YC( O1D )\n! RXRAT( 42 ) = RKI( 42 ) * YC( O1D )\n! RXRAT( 43 ) = RKI( 43 ) * YC( HO )\n! RXRAT( 44 ) = RKI( 44 ) * YC( HO ) * YC( HO2 )\n RXRAT( 45 ) = RKI( 45 ) * YC( HO2 ) * YC( HO2 )\n RXRAT( 46 ) = RKI( 46 ) * YC( HO2 ) * YC( HO2 )\n RXRAT( 47 ) = RKI( 47 ) * YC( H2O2 ) * YC( HO )\n! RXRAT( 48 ) = RKI( 48 ) * YC( NO ) * YC( O3P )\n! RXRAT( 49 ) = RKI( 49 ) * YC( NO ) * YC( HO )\n! RXRAT( 50 ) = RKI( 50 ) * YC( NO ) * YC( HO2 )\n RXRAT( 51 ) = RKI( 51 ) * YC( NO ) * YC( HO2 )\n! RXRAT( 52 ) = RKI( 52 ) * YC( NO ) * YC( NO )\n RXRAT( 53 ) = RKI( 53 ) * YC( HONO ) * YC( HO )\n! RXRAT( 54 ) = RKI( 54 ) * YC( NO2 ) * YC( O3P )\n RXRAT( 55 ) = RKI( 55 ) * YC( NO2 ) * YC( O3P )\n RXRAT( 56 ) = RKI( 56 ) * YC( NO2 ) * YC( HO )\n RXRAT( 57 ) = RKI( 57 ) * YC( HNO3 ) * YC( HO )\n RXRAT( 58 ) = RKI( 58 ) * YC( NO3 ) * YC( HO )\n RXRAT( 59 ) = RKI( 59 ) * YC( NO3 ) * YC( HO2 )\n RXRAT( 60 ) = RKI( 60 ) * YC( NO3 ) * YC( NO )\n RXRAT( 61 ) = RKI( 61 ) * YC( NO3 ) * YC( NO2 )\n RXRAT( 62 ) = RKI( 62 ) * YC( NO3 ) * YC( NO3 )\n! RXRAT( 63 ) = RKI( 63 ) * YC( NO3 ) * YC( NO2 )\n RXRAT( 64 ) = RKI( 64 ) * YC( N2O5 )\n RXRAT( 65 ) = RKI( 65 ) * YC( N2O5 )\n! RXRAT( 66 ) = RKI( 66 ) * YC( NO2 ) * YC( HO2 )\n RXRAT( 67 ) = RKI( 67 ) * YC( HNO4 )\n RXRAT( 68 ) = RKI( 68 ) * YC( HNO4 ) * YC( HO )\n RXRAT( 69 ) = RKI( 69 ) * YC( SO2 ) * YC( HO )\n RXRAT( 70 ) = RKI( 70 ) * YC( CO ) * YC( HO )\n RXRAT( 71 ) = RKI( 71 ) * YC( HO )\n RXRAT( 72 ) = RKI( 72 ) * YC( ETH ) * YC( HO )\n RXRAT( 73 ) = RKI( 73 ) * YC( HC3 ) * YC( HO )\n RXRAT( 74 ) = RKI( 74 ) * YC( HC5 ) * YC( HO )\n RXRAT( 75 ) = RKI( 75 ) * YC( HC8 ) * YC( HO )\n RXRAT( 76 ) = RKI( 76 ) * YC( ETE ) * YC( HO )\n RXRAT( 77 ) = RKI( 77 ) * YC( OLT ) * YC( HO )\n RXRAT( 78 ) = RKI( 78 ) * YC( OLI ) * YC( HO )\n RXRAT( 79 ) = RKI( 79 ) * YC( DIEN ) * YC( HO )\n RXRAT( 80 ) = RKI( 80 ) * YC( ACE ) * YC( HO )\n RXRAT( 81 ) = RKI( 81 ) * YC( BENZENE ) * YC( HO )\n RXRAT( 82 ) = RKI( 82 ) * YC( TOL ) * YC( HO )\n RXRAT( 83 ) = RKI( 83 ) * YC( XYM ) * YC( HO )\n RXRAT( 84 ) = RKI( 84 ) * YC( XYP ) * YC( HO )\n RXRAT( 85 ) = RKI( 85 ) * YC( XYO ) * YC( HO )\n RXRAT( 86 ) = RKI( 86 ) * YC( ISO ) * YC( HO )\n RXRAT( 87 ) = RKI( 87 ) * YC( API ) * YC( HO )\n RXRAT( 88 ) = RKI( 88 ) * YC( LIM ) * YC( HO )\n RXRAT( 89 ) = RKI( 89 ) * YC( HCHO ) * YC( HO )\n RXRAT( 90 ) = RKI( 90 ) * YC( ACD ) * YC( HO )\n RXRAT( 91 ) = RKI( 91 ) * YC( ALD ) * YC( HO )\n RXRAT( 92 ) = RKI( 92 ) * YC( ACT ) * YC( HO )\n RXRAT( 93 ) = RKI( 93 ) * YC( MEK ) * YC( HO )\n RXRAT( 94 ) = RKI( 94 ) * YC( KET ) * YC( HO )\n RXRAT( 95 ) = RKI( 95 ) * YC( HKET ) * YC( HO )\n RXRAT( 96 ) = RKI( 96 ) * YC( MACR ) * YC( HO )\n RXRAT( 97 ) = RKI( 97 ) * YC( MVK ) * YC( HO )\n RXRAT( 98 ) = RKI( 98 ) * YC( UALD ) * YC( HO )\n RXRAT( 99 ) = RKI( 99 ) * YC( GLY ) * YC( HO )\n RXRAT( 100 ) = RKI( 100 ) * YC( MGLY ) * YC( HO )\n RXRAT( 101 ) = RKI( 101 ) * YC( DCB1 ) * YC( HO )\n RXRAT( 102 ) = RKI( 102 ) * YC( DCB2 ) * YC( HO )\n RXRAT( 103 ) = RKI( 103 ) * YC( DCB3 ) * YC( HO )\n RXRAT( 104 ) = RKI( 104 ) * YC( BALD ) * YC( HO )\n RXRAT( 105 ) = RKI( 105 ) * YC( PHEN ) * YC( HO )\n RXRAT( 106 ) = RKI( 106 ) * YC( CSL ) * YC( HO )\n RXRAT( 107 ) = RKI( 107 ) * YC( EPX ) * YC( HO )\n RXRAT( 108 ) = RKI( 108 ) * YC( MCT ) * YC( HO )\n RXRAT( 109 ) = RKI( 109 ) * YC( MOH ) * YC( HO )\n RXRAT( 110 ) = RKI( 110 ) * YC( EOH ) * YC( HO )\n RXRAT( 111 ) = RKI( 111 ) * YC( ROH ) * YC( HO )\n RXRAT( 112 ) = RKI( 112 ) * YC( ETEG ) * YC( HO )\n RXRAT( 113 ) = RKI( 113 ) * YC( OP1 ) * YC( HO )\n RXRAT( 114 ) = RKI( 114 ) * YC( OP2 ) * YC( HO )\n RXRAT( 115 ) = RKI( 115 ) * YC( ISHP ) * YC( HO )\n RXRAT( 116 ) = RKI( 116 ) * YC( MAHP ) * YC( HO )\n RXRAT( 117 ) = RKI( 117 ) * YC( ORA1 ) * YC( HO )\n RXRAT( 118 ) = RKI( 118 ) * YC( ORA2 ) * YC( HO )\n RXRAT( 119 ) = RKI( 119 ) * YC( PAA ) * YC( HO )\n RXRAT( 120 ) = RKI( 120 ) * YC( PAN ) * YC( HO )\n RXRAT( 121 ) = RKI( 121 ) * YC( PPN ) * YC( HO )\n RXRAT( 122 ) = RKI( 122 ) * YC( MPAN ) * YC( HO )\n RXRAT( 123 ) = RKI( 123 ) * YC( ONIT ) * YC( HO )\n RXRAT( 124 ) = RKI( 124 ) * YC( NALD ) * YC( HO )\n RXRAT( 125 ) = RKI( 125 ) * YC( ISON ) * YC( HO )\n RXRAT( 126 ) = RKI( 126 ) * YC( ETE ) * YC( O3 )\n RXRAT( 127 ) = RKI( 127 ) * YC( OLT ) * YC( O3 )\n RXRAT( 128 ) = RKI( 128 ) * YC( OLI ) * YC( O3 )\n RXRAT( 129 ) = RKI( 129 ) * YC( DIEN ) * YC( O3 )\n RXRAT( 130 ) = RKI( 130 ) * YC( ISO ) * YC( O3 )\n RXRAT( 131 ) = RKI( 131 ) * YC( API ) * YC( O3 )\n RXRAT( 132 ) = RKI( 132 ) * YC( LIM ) * YC( O3 )\n RXRAT( 133 ) = RKI( 133 ) * YC( MACR ) * YC( O3 )\n RXRAT( 134 ) = RKI( 134 ) * YC( MVK ) * YC( O3 )\n RXRAT( 135 ) = RKI( 135 ) * YC( UALD ) * YC( O3 )\n RXRAT( 136 ) = RKI( 136 ) * YC( DCB1 ) * YC( O3 )\n RXRAT( 137 ) = RKI( 137 ) * YC( DCB2 ) * YC( O3 )\n RXRAT( 138 ) = RKI( 138 ) * YC( DCB3 ) * YC( O3 )\n RXRAT( 139 ) = RKI( 139 ) * YC( EPX ) * YC( O3 )\n RXRAT( 140 ) = RKI( 140 ) * YC( MCTO ) * YC( O3 )\n RXRAT( 141 ) = RKI( 141 ) * YC( ETE ) * YC( NO3 )\n RXRAT( 142 ) = RKI( 142 ) * YC( OLT ) * YC( NO3 )\n RXRAT( 143 ) = RKI( 143 ) * YC( OLI ) * YC( NO3 )\n RXRAT( 144 ) = RKI( 144 ) * YC( DIEN ) * YC( NO3 )\n RXRAT( 145 ) = RKI( 145 ) * YC( ISO ) * YC( NO3 )\n RXRAT( 146 ) = RKI( 146 ) * YC( API ) * YC( NO3 )\n RXRAT( 147 ) = RKI( 147 ) * YC( LIM ) * YC( NO3 )\n RXRAT( 148 ) = RKI( 148 ) * YC( HCHO ) * YC( NO3 )\n RXRAT( 149 ) = RKI( 149 ) * YC( ACD ) * YC( NO3 )\n RXRAT( 150 ) = RKI( 150 ) * YC( ALD ) * YC( NO3 )\n RXRAT( 151 ) = RKI( 151 ) * YC( MACR ) * YC( NO3 )\n RXRAT( 152 ) = RKI( 152 ) * YC( UALD ) * YC( NO3 )\n RXRAT( 153 ) = RKI( 153 ) * YC( GLY ) * YC( NO3 )\n RXRAT( 154 ) = RKI( 154 ) * YC( MGLY ) * YC( NO3 )\n RXRAT( 155 ) = RKI( 155 ) * YC( PHEN ) * YC( NO3 )\n RXRAT( 156 ) = RKI( 156 ) * YC( CSL ) * YC( NO3 )\n RXRAT( 157 ) = RKI( 157 ) * YC( EPX ) * YC( NO3 )\n RXRAT( 158 ) = RKI( 158 ) * YC( MCT ) * YC( NO3 )\n RXRAT( 159 ) = RKI( 159 ) * YC( MPAN ) * YC( NO3 )\n RXRAT( 160 ) = RKI( 160 ) * YC( TR2 )\n RXRAT( 161 ) = RKI( 161 ) * YC( TOLP )\n RXRAT( 162 ) = RKI( 162 ) * YC( XY2 )\n RXRAT( 163 ) = RKI( 163 ) * YC( XYLP )\n RXRAT( 164 ) = RKI( 164 ) * YC( XYO2 )\n RXRAT( 165 ) = RKI( 165 ) * YC( XYOP )\n! RXRAT( 166 ) = RKI( 166 ) * YC( ACO3 ) * YC( NO2 )\n RXRAT( 167 ) = RKI( 167 ) * YC( PAN )\n RXRAT( 168 ) = RKI( 168 ) * YC( RCO3 ) * YC( NO2 )\n RXRAT( 169 ) = RKI( 169 ) * YC( PPN )\n RXRAT( 170 ) = RKI( 170 ) * YC( MACP ) * YC( NO2 )\n RXRAT( 171 ) = RKI( 171 ) * YC( MPAN )\n RXRAT( 172 ) = RKI( 172 ) * YC( MO2 ) * YC( NO )\n RXRAT( 173 ) = RKI( 173 ) * YC( ETHP ) * YC( NO )\n RXRAT( 174 ) = RKI( 174 ) * YC( HC3P ) * YC( NO )\n RXRAT( 175 ) = RKI( 175 ) * YC( HC5P ) * YC( NO )\n RXRAT( 176 ) = RKI( 176 ) * YC( HC8P ) * YC( NO )\n RXRAT( 177 ) = RKI( 177 ) * YC( ETEP ) * YC( NO )\n RXRAT( 178 ) = RKI( 178 ) * YC( OLTP ) * YC( NO )\n RXRAT( 179 ) = RKI( 179 ) * YC( OLIP ) * YC( NO )\n RXRAT( 180 ) = RKI( 180 ) * YC( BENP ) * YC( NO )\n RXRAT( 181 ) = RKI( 181 ) * YC( TLP1 ) * YC( NO )\n RXRAT( 182 ) = RKI( 182 ) * YC( TOLP ) * YC( NO )\n RXRAT( 183 ) = RKI( 183 ) * YC( PER1 ) * YC( NO )\n RXRAT( 184 ) = RKI( 184 ) * YC( XYL1 ) * YC( NO )\n RXRAT( 185 ) = RKI( 185 ) * YC( XYLP ) * YC( NO )\n RXRAT( 186 ) = RKI( 186 ) * YC( PER2 ) * YC( NO )\n RXRAT( 187 ) = RKI( 187 ) * YC( XYOP ) * YC( NO )\n RXRAT( 188 ) = RKI( 188 ) * YC( ISOP ) * YC( NO )\n RXRAT( 189 ) = RKI( 189 ) * YC( APIP ) * YC( NO )\n RXRAT( 190 ) = RKI( 190 ) * YC( LIMP ) * YC( NO )\n RXRAT( 191 ) = RKI( 191 ) * YC( ACO3 ) * YC( NO )\n RXRAT( 192 ) = RKI( 192 ) * YC( RCO3 ) * YC( NO )\n RXRAT( 193 ) = RKI( 193 ) * YC( ACTP ) * YC( NO )\n RXRAT( 194 ) = RKI( 194 ) * YC( MEKP ) * YC( NO )\n RXRAT( 195 ) = RKI( 195 ) * YC( KETP ) * YC( NO )\n RXRAT( 196 ) = RKI( 196 ) * YC( MACP ) * YC( NO )\n RXRAT( 197 ) = RKI( 197 ) * YC( MCP ) * YC( NO )\n RXRAT( 198 ) = RKI( 198 ) * YC( MVKP ) * YC( NO )\n RXRAT( 199 ) = RKI( 199 ) * YC( UALP ) * YC( NO )\n RXRAT( 200 ) = RKI( 200 ) * YC( BALP ) * YC( NO )\n RXRAT( 201 ) = RKI( 201 ) * YC( BAL1 ) * YC( NO )\n RXRAT( 202 ) = RKI( 202 ) * YC( ADDC ) * YC( NO )\n RXRAT( 203 ) = RKI( 203 ) * YC( MCTP ) * YC( NO )\n RXRAT( 204 ) = RKI( 204 ) * YC( ORAP ) * YC( NO )\n RXRAT( 205 ) = RKI( 205 ) * YC( OLNN ) * YC( NO )\n RXRAT( 206 ) = RKI( 206 ) * YC( OLND ) * YC( NO )\n RXRAT( 207 ) = RKI( 207 ) * YC( ADCN ) * YC( NO )\n RXRAT( 208 ) = RKI( 208 ) * YC( XO2 ) * YC( NO )\n RXRAT( 209 ) = RKI( 209 ) * YC( BAL2 ) * YC( NO2 )\n RXRAT( 210 ) = RKI( 210 ) * YC( CHO ) * YC( NO2 )\n RXRAT( 211 ) = RKI( 211 ) * YC( MCTO ) * YC( NO2 )\n RXRAT( 212 ) = RKI( 212 ) * YC( MO2 ) * YC( HO2 )\n RXRAT( 213 ) = RKI( 213 ) * YC( ETHP ) * YC( HO2 )\n RXRAT( 214 ) = RKI( 214 ) * YC( HC3P ) * YC( HO2 )\n RXRAT( 215 ) = RKI( 215 ) * YC( HC5P ) * YC( HO2 )\n RXRAT( 216 ) = RKI( 216 ) * YC( HC8P ) * YC( HO2 )\n RXRAT( 217 ) = RKI( 217 ) * YC( ETEP ) * YC( HO2 )\n RXRAT( 218 ) = RKI( 218 ) * YC( OLTP ) * YC( HO2 )\n RXRAT( 219 ) = RKI( 219 ) * YC( OLIP ) * YC( HO2 )\n RXRAT( 220 ) = RKI( 220 ) * YC( BENP ) * YC( HO2 )\n RXRAT( 221 ) = RKI( 221 ) * YC( TLP1 ) * YC( HO2 )\n RXRAT( 222 ) = RKI( 222 ) * YC( TOLP ) * YC( HO2 )\n RXRAT( 223 ) = RKI( 223 ) * YC( PER1 ) * YC( HO2 )\n RXRAT( 224 ) = RKI( 224 ) * YC( XYL1 ) * YC( HO2 )\n RXRAT( 225 ) = RKI( 225 ) * YC( XYLP ) * YC( HO2 )\n RXRAT( 226 ) = RKI( 226 ) * YC( PER2 ) * YC( HO2 )\n RXRAT( 227 ) = RKI( 227 ) * YC( XYOP ) * YC( HO2 )\n RXRAT( 228 ) = RKI( 228 ) * YC( ISOP ) * YC( HO2 )\n RXRAT( 229 ) = RKI( 229 ) * YC( APIP ) * YC( HO2 )\n RXRAT( 230 ) = RKI( 230 ) * YC( LIMP ) * YC( HO2 )\n RXRAT( 231 ) = RKI( 231 ) * YC( ACO3 ) * YC( HO2 )\n RXRAT( 232 ) = RKI( 232 ) * YC( RCO3 ) * YC( HO2 )\n RXRAT( 233 ) = RKI( 233 ) * YC( ACTP ) * YC( HO2 )\n RXRAT( 234 ) = RKI( 234 ) * YC( MEKP ) * YC( HO2 )\n RXRAT( 235 ) = RKI( 235 ) * YC( KETP ) * YC( HO2 )\n RXRAT( 236 ) = RKI( 236 ) * YC( MACP ) * YC( HO2 )\n RXRAT( 237 ) = RKI( 237 ) * YC( MCP ) * YC( HO2 )\n RXRAT( 238 ) = RKI( 238 ) * YC( MVKP ) * YC( HO2 )\n RXRAT( 239 ) = RKI( 239 ) * YC( UALP ) * YC( HO2 )\n RXRAT( 240 ) = RKI( 240 ) * YC( ADDC ) * YC( HO2 )\n RXRAT( 241 ) = RKI( 241 ) * YC( CHO ) * YC( HO2 )\n RXRAT( 242 ) = RKI( 242 ) * YC( MCTP ) * YC( HO2 )\n RXRAT( 243 ) = RKI( 243 ) * YC( ORAP ) * YC( HO2 )\n RXRAT( 244 ) = RKI( 244 ) * YC( OLNN ) * YC( HO2 )\n RXRAT( 245 ) = RKI( 245 ) * YC( OLND ) * YC( HO2 )\n RXRAT( 246 ) = RKI( 246 ) * YC( ADCN ) * YC( HO2 )\n RXRAT( 247 ) = RKI( 247 ) * YC( XO2 ) * YC( HO2 )\n RXRAT( 248 ) = RKI( 248 ) * YC( MO2 ) * YC( MO2 )\n RXRAT( 249 ) = RKI( 249 ) * YC( ETHP ) * YC( MO2 )\n RXRAT( 250 ) = RKI( 250 ) * YC( HC3P ) * YC( MO2 )\n RXRAT( 251 ) = RKI( 251 ) * YC( HC5P ) * YC( MO2 )\n RXRAT( 252 ) = RKI( 252 ) * YC( HC8P ) * YC( MO2 )\n RXRAT( 253 ) = RKI( 253 ) * YC( ETEP ) * YC( MO2 )\n RXRAT( 254 ) = RKI( 254 ) * YC( OLTP ) * YC( MO2 )\n RXRAT( 255 ) = RKI( 255 ) * YC( OLIP ) * YC( MO2 )\n RXRAT( 256 ) = RKI( 256 ) * YC( BENP ) * YC( MO2 )\n RXRAT( 257 ) = RKI( 257 ) * YC( TLP1 ) * YC( MO2 )\n RXRAT( 258 ) = RKI( 258 ) * YC( TOLP ) * YC( MO2 )\n RXRAT( 259 ) = RKI( 259 ) * YC( PER1 ) * YC( MO2 )\n RXRAT( 260 ) = RKI( 260 ) * YC( XYL1 ) * YC( MO2 )\n RXRAT( 261 ) = RKI( 261 ) * YC( XYLP ) * YC( MO2 )\n RXRAT( 262 ) = RKI( 262 ) * YC( PER2 ) * YC( MO2 )\n RXRAT( 263 ) = RKI( 263 ) * YC( XYOP ) * YC( MO2 )\n RXRAT( 264 ) = RKI( 264 ) * YC( ISOP ) * YC( MO2 )\n RXRAT( 265 ) = RKI( 265 ) * YC( APIP ) * YC( MO2 )\n RXRAT( 266 ) = RKI( 266 ) * YC( LIMP ) * YC( MO2 )\n RXRAT( 267 ) = RKI( 267 ) * YC( ACO3 ) * YC( MO2 )\n RXRAT( 268 ) = RKI( 268 ) * YC( RCO3 ) * YC( MO2 )\n RXRAT( 269 ) = RKI( 269 ) * YC( ACTP ) * YC( MO2 )\n RXRAT( 270 ) = RKI( 270 ) * YC( MEKP ) * YC( MO2 )\n RXRAT( 271 ) = RKI( 271 ) * YC( KETP ) * YC( MO2 )\n RXRAT( 272 ) = RKI( 272 ) * YC( MACP ) * YC( MO2 )\n RXRAT( 273 ) = RKI( 273 ) * YC( MCP ) * YC( MO2 )\n RXRAT( 274 ) = RKI( 274 ) * YC( MVKP ) * YC( MO2 )\n RXRAT( 275 ) = RKI( 275 ) * YC( UALP ) * YC( MO2 )\n RXRAT( 276 ) = RKI( 276 ) * YC( BALP ) * YC( MO2 )\n RXRAT( 277 ) = RKI( 277 ) * YC( BAL1 ) * YC( MO2 )\n RXRAT( 278 ) = RKI( 278 ) * YC( ADDC ) * YC( MO2 )\n RXRAT( 279 ) = RKI( 279 ) * YC( MCTP ) * YC( MO2 )\n RXRAT( 280 ) = RKI( 280 ) * YC( ORAP ) * YC( MO2 )\n RXRAT( 281 ) = RKI( 281 ) * YC( OLNN ) * YC( MO2 )\n RXRAT( 282 ) = RKI( 282 ) * YC( OLND ) * YC( MO2 )\n RXRAT( 283 ) = RKI( 283 ) * YC( ADCN ) * YC( MO2 )\n RXRAT( 284 ) = RKI( 284 ) * YC( XO2 ) * YC( MO2 )\n RXRAT( 285 ) = RKI( 285 ) * YC( ETHP ) * YC( ACO3 )\n RXRAT( 286 ) = RKI( 286 ) * YC( HC3P ) * YC( ACO3 )\n RXRAT( 287 ) = RKI( 287 ) * YC( HC5P ) * YC( ACO3 )\n RXRAT( 288 ) = RKI( 288 ) * YC( HC8P ) * YC( ACO3 )\n RXRAT( 289 ) = RKI( 289 ) * YC( ETEP ) * YC( ACO3 )\n RXRAT( 290 ) = RKI( 290 ) * YC( OLTP ) * YC( ACO3 )\n RXRAT( 291 ) = RKI( 291 ) * YC( OLIP ) * YC( ACO3 )\n RXRAT( 292 ) = RKI( 292 ) * YC( BENP ) * YC( ACO3 )\n RXRAT( 293 ) = RKI( 293 ) * YC( TLP1 ) * YC( ACO3 )\n RXRAT( 294 ) = RKI( 294 ) * YC( TOLP ) * YC( ACO3 )\n RXRAT( 295 ) = RKI( 295 ) * YC( PER1 ) * YC( ACO3 )\n RXRAT( 296 ) = RKI( 296 ) * YC( XYL1 ) * YC( ACO3 )\n RXRAT( 297 ) = RKI( 297 ) * YC( XYLP ) * YC( ACO3 )\n RXRAT( 298 ) = RKI( 298 ) * YC( PER2 ) * YC( ACO3 )\n RXRAT( 299 ) = RKI( 299 ) * YC( XYOP ) * YC( ACO3 )\n RXRAT( 300 ) = RKI( 300 ) * YC( ISOP ) * YC( ACO3 )\n RXRAT( 301 ) = RKI( 301 ) * YC( APIP ) * YC( ACO3 )\n RXRAT( 302 ) = RKI( 302 ) * YC( LIMP ) * YC( ACO3 )\n RXRAT( 303 ) = RKI( 303 ) * YC( ACO3 ) * YC( ACO3 )\n RXRAT( 304 ) = RKI( 304 ) * YC( RCO3 ) * YC( ACO3 )\n RXRAT( 305 ) = RKI( 305 ) * YC( ACTP ) * YC( ACO3 )\n RXRAT( 306 ) = RKI( 306 ) * YC( MEKP ) * YC( ACO3 )\n RXRAT( 307 ) = RKI( 307 ) * YC( KETP ) * YC( ACO3 )\n RXRAT( 308 ) = RKI( 308 ) * YC( MACP ) * YC( ACO3 )\n RXRAT( 309 ) = RKI( 309 ) * YC( MCP ) * YC( ACO3 )\n RXRAT( 310 ) = RKI( 310 ) * YC( MVKP ) * YC( ACO3 )\n RXRAT( 311 ) = RKI( 311 ) * YC( UALP ) * YC( ACO3 )\n RXRAT( 312 ) = RKI( 312 ) * YC( BALP ) * YC( ACO3 )\n RXRAT( 313 ) = RKI( 313 ) * YC( BAL1 ) * YC( ACO3 )\n RXRAT( 314 ) = RKI( 314 ) * YC( ADDC ) * YC( ACO3 )\n RXRAT( 315 ) = RKI( 315 ) * YC( MCTP ) * YC( ACO3 )\n RXRAT( 316 ) = RKI( 316 ) * YC( ORAP ) * YC( ACO3 )\n RXRAT( 317 ) = RKI( 317 ) * YC( OLNN ) * YC( ACO3 )\n RXRAT( 318 ) = RKI( 318 ) * YC( OLND ) * YC( ACO3 )\n RXRAT( 319 ) = RKI( 319 ) * YC( ADCN ) * YC( ACO3 )\n RXRAT( 320 ) = RKI( 320 ) * YC( XO2 ) * YC( ACO3 )\n RXRAT( 321 ) = RKI( 321 ) * YC( RCO3 ) * YC( RCO3 )\n RXRAT( 322 ) = RKI( 322 ) * YC( MO2 ) * YC( NO3 )\n RXRAT( 323 ) = RKI( 323 ) * YC( ETHP ) * YC( NO3 )\n RXRAT( 324 ) = RKI( 324 ) * YC( HC3P ) * YC( NO3 )\n RXRAT( 325 ) = RKI( 325 ) * YC( HC5P ) * YC( NO3 )\n RXRAT( 326 ) = RKI( 326 ) * YC( HC8P ) * YC( NO3 )\n RXRAT( 327 ) = RKI( 327 ) * YC( ETEP ) * YC( NO3 )\n RXRAT( 328 ) = RKI( 328 ) * YC( OLTP ) * YC( NO3 )\n RXRAT( 329 ) = RKI( 329 ) * YC( OLIP ) * YC( NO3 )\n RXRAT( 330 ) = RKI( 330 ) * YC( BENP ) * YC( NO3 )\n RXRAT( 331 ) = RKI( 331 ) * YC( TLP1 ) * YC( NO3 )\n RXRAT( 332 ) = RKI( 332 ) * YC( TOLP ) * YC( NO3 )\n RXRAT( 333 ) = RKI( 333 ) * YC( PER1 ) * YC( NO3 )\n RXRAT( 334 ) = RKI( 334 ) * YC( XYL1 ) * YC( NO3 )\n RXRAT( 335 ) = RKI( 335 ) * YC( XYLP ) * YC( NO3 )\n RXRAT( 336 ) = RKI( 336 ) * YC( PER2 ) * YC( NO3 )\n RXRAT( 337 ) = RKI( 337 ) * YC( XYOP ) * YC( NO3 )\n RXRAT( 338 ) = RKI( 338 ) * YC( ISOP ) * YC( NO3 )\n RXRAT( 339 ) = RKI( 339 ) * YC( APIP ) * YC( NO3 )\n RXRAT( 340 ) = RKI( 340 ) * YC( LIMP ) * YC( NO3 )\n RXRAT( 341 ) = RKI( 341 ) * YC( ACO3 ) * YC( NO3 )\n RXRAT( 342 ) = RKI( 342 ) * YC( RCO3 ) * YC( NO3 )\n RXRAT( 343 ) = RKI( 343 ) * YC( ACTP ) * YC( NO3 )\n RXRAT( 344 ) = RKI( 344 ) * YC( MEKP ) * YC( NO3 )\n RXRAT( 345 ) = RKI( 345 ) * YC( KETP ) * YC( NO3 )\n RXRAT( 346 ) = RKI( 346 ) * YC( MACP ) * YC( NO3 )\n RXRAT( 347 ) = RKI( 347 ) * YC( MCP ) * YC( NO3 )\n RXRAT( 348 ) = RKI( 348 ) * YC( MVKP ) * YC( NO3 )\n RXRAT( 349 ) = RKI( 349 ) * YC( UALP ) * YC( NO3 )\n RXRAT( 350 ) = RKI( 350 ) * YC( BALP ) * YC( NO3 )\n RXRAT( 351 ) = RKI( 351 ) * YC( BAL1 ) * YC( NO3 )\n RXRAT( 352 ) = RKI( 352 ) * YC( ADDC ) * YC( NO3 )\n RXRAT( 353 ) = RKI( 353 ) * YC( MCTP ) * YC( NO3 )\n RXRAT( 354 ) = RKI( 354 ) * YC( ORAP ) * YC( NO3 )\n RXRAT( 355 ) = RKI( 355 ) * YC( OLNN ) * YC( NO3 )\n RXRAT( 356 ) = RKI( 356 ) * YC( OLND ) * YC( NO3 )\n RXRAT( 357 ) = RKI( 357 ) * YC( ADCN ) * YC( NO3 )\n RXRAT( 358 ) = RKI( 358 ) * YC( OLNN ) * YC( OLNN )\n RXRAT( 359 ) = RKI( 359 ) * YC( OLNN ) * YC( OLND )\n RXRAT( 360 ) = RKI( 360 ) * YC( OLND ) * YC( OLND )\n RXRAT( 361 ) = RKI( 361 ) * YC( XO2 ) * YC( NO3 )\n RXRAT( 362 ) = RKI( 362 ) * YC( XO2 ) * YC( RCO3 )\n RXRAT( 363 ) = RKI( 363 ) * YC( XO2 ) * YC( XO2 )\n RXRAT( 364 ) = RKI( 364 ) * YC( TOLRO2 ) * YC( NO )\n RXRAT( 365 ) = RKI( 365 ) * YC( TOLRO2 ) * YC( HO2 )\n RXRAT( 366 ) = RKI( 366 ) * YC( XYLRO2 ) * YC( NO )\n RXRAT( 367 ) = RKI( 367 ) * YC( XYLRO2 ) * YC( HO2 )\n RXRAT( 368 ) = RKI( 368 ) * YC( BENZRO2 ) * YC( NO )\n RXRAT( 369 ) = RKI( 369 ) * YC( BENZRO2 ) * YC( HO2 )\n RXRAT( 370 ) = RKI( 370 ) * YC( SESQ ) * YC( O3 )\n RXRAT( 371 ) = RKI( 371 ) * YC( SESQ ) * YC( HO )\n RXRAT( 372 ) = RKI( 372 ) * YC( SESQ ) * YC( NO3 )\n RXRAT( 373 ) = RKI( 373 ) * YC( NAPH ) * YC( HO )\n RXRAT( 374 ) = RKI( 374 ) * YC( PAHRO2 ) * YC( NO )\n RXRAT( 375 ) = RKI( 375 ) * YC( PAHRO2 ) * YC( HO2 )\n RXRAT( 376 ) = RKI( 376 ) * YC( SOAALK ) * YC( HO )\n RXRAT( 377 ) = RKI( 377 ) * YC( IEPOX ) * YC( HO )\n RXRAT( 378 ) = RKI( 378 ) * YC( N2O5 )\n RXRAT( 379 ) = RKI( 379 ) * YC( NO2 )\n! RXRAT( 380 ) = RKI( 380 ) * YC( O3 )\n RXRAT( 381 ) = RKI( 381 ) * YC( IEPOX )\n RXRAT( 382 ) = RKI( 382 ) * YC( AXYL1J )\n RXRAT( 383 ) = RKI( 383 ) * YC( AXYL2J )\n RXRAT( 384 ) = RKI( 384 ) * YC( ATOL1J )\n RXRAT( 385 ) = RKI( 385 ) * YC( ATOL2J )\n RXRAT( 386 ) = RKI( 386 ) * YC( ABNZ1J )\n RXRAT( 387 ) = RKI( 387 ) * YC( ABNZ2J )\n RXRAT( 388 ) = RKI( 388 ) * YC( ATRP1J )\n RXRAT( 389 ) = RKI( 389 ) * YC( ATRP2J )\n RXRAT( 390 ) = RKI( 390 ) * YC( AISO1J )\n RXRAT( 391 ) = RKI( 391 ) * YC( AISO2J )\n RXRAT( 392 ) = RKI( 392 ) * YC( ASQTJ )\n RXRAT( 393 ) = RKI( 393 ) * YC( APAH1J )\n RXRAT( 394 ) = RKI( 394 ) * YC( APAH2J )\n RXRAT( 395 ) = RKI( 395 ) * YC( AALK1J )\n RXRAT( 396 ) = RKI( 396 ) * YC( AALK2J )\n RXRAT( 397 ) = RKI( 397 ) * YC( APOCI ) * YC( HO )\n RXRAT( 398 ) = RKI( 398 ) * YC( APNCOMI ) * YC( HO )\n RXRAT( 399 ) = RKI( 399 ) * YC( APOCJ ) * YC( HO )\n RXRAT( 400 ) = RKI( 400 ) * YC( APNCOMJ ) * YC( HO )\n RXRAT( 401 ) = RKI( 401 ) * YC( PCVOC ) * YC( HO )\n RXRAT( 402 ) = RKI( 402 ) * YC( VLVPO1 ) * YC( HO )\n RXRAT( 403 ) = RKI( 403 ) * YC( VSVPO1 ) * YC( HO )\n RXRAT( 404 ) = RKI( 404 ) * YC( VSVPO2 ) * YC( HO )\n RXRAT( 405 ) = RKI( 405 ) * YC( VSVPO3 ) * YC( HO )\n RXRAT( 406 ) = RKI( 406 ) * YC( VIVPO1 ) * YC( HO )\n RXRAT( 407 ) = RKI( 407 ) * YC( VLVOO1 ) * YC( HO )\n RXRAT( 408 ) = RKI( 408 ) * YC( VLVOO2 ) * YC( HO )\n RXRAT( 409 ) = RKI( 409 ) * YC( VSVOO1 ) * YC( HO )\n RXRAT( 410 ) = RKI( 410 ) * YC( VSVOO2 ) * YC( HO )\n RXRAT( 411 ) = RKI( 411 ) * YC( VSVOO3 ) * YC( HO )\n\n\n RETURN\n\n END\n" }, { "path": "CCTM/src/gas/ebi_racm2_ae6_aq/hrsolver.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\n SUBROUTINE HRSOLVER( JDATE, JTIME, C, R, L )\n\n\nC**********************************************************************\nC\nC FUNCTION: EBI solver\nC\nC PRECONDITIONS: For the RACM2_AE6_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: HRRATES, HRG1, HRG2, HRG3\nC HRG4, HRPRODLOSS\nC DEGRADE\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 8, 2022\nC 21 Jun 10 J.Young: convert for Namelist redesign\nC 18 Jul 14 B.Hutzell: revised 1) to use the RXNS_DATA and RXNS_FUNCTION\nC modules instead of include files and 2) to use\nC real(8) variables\nC**********************************************************************\n\n USE RUNTIME_VARS\n USE UTILIO_DEFN\n USE RXNS_DATA\n USE HRDATA\n USE PA_IRR_MODULE\n#ifdef isam\n USE SA_IRR_DEFN\n#endif\n#ifdef sens\n USE DDM3D_CHEM, ONLY: YCDDM\n USE CGRID_SPCS, ONLY: GC_SPC\n#endif\n USE DEGRADE_ROUTINES, ONLY : DEGRADE, SA_DEGRADE_STEP\n\n\n IMPLICIT NONE\n\nC..INCLUDES:\n\n\nC..ARGUMENTS:\n INTEGER, INTENT( IN ) :: JDATE ! Current date (YYYYDDD)\n INTEGER, INTENT( IN ) :: JTIME ! Current time (HHMMSS)\n INTEGER, INTENT( IN ) :: C, R, L ! Cell col, row, lev\n\nC..PARAMETERS:\n INTEGER, PARAMETER :: MXBKUPS = 5 ! Max no. of back-ups allowed\n INTEGER, PARAMETER :: STAT = 1 ! Status code\n\n REAL( 8 ), PARAMETER :: DTMIN = 1.0D-08 ! Smallest time step allowed, min\n REAL( 8 ), PARAMETER :: EPSLON = 1.0D-30 ! Small number\n REAL( 8 ), PARAMETER :: MAXPRED = 1.0D+03 ! Upper limit on predicted conc\n REAL( 8 ), PARAMETER :: ZERO = 1.0D-40 ! effective zero\n REAL( 8 ), PARAMETER :: FLOOR = 1.0D-08 ! Min conc for RTOL\n\nC..EXTERNAL FUNCTIONS:\n\n\nC..SAVED LOCAL VARIABLES:\n CHARACTER( 16 ), SAVE :: PNAME = 'HRSOLVER' ! Program name\n LOGICAL, SAVE :: LFIRST = .TRUE. ! Flag for first call\n LOGICAL, ALLOCATABLE, SAVE :: LEBISPFL( : ) ! Convergence Error Flag for EBI species\n LOGICAL, ALLOCATABLE, SAVE :: MAXCONC ( : ) ! MAXCONC ERROR Flag for EBI species\n LOGICAL, ALLOCATABLE, SAVE :: NOTMAX ( : ) ! Initial concentration not greater than MAXPRED\n\n REAL( 8 ), ALLOCATABLE, SAVE :: RERROR ( : ) ! Relative Error\n REAL( 8 ), ALLOCATABLE, SAVE :: AERROR ( : ) ! Absolute Error\n\n\nC..SCRATCH LOCAL VARIABLES:\n\n CHARACTER( 132 ) :: MSG ! Message text\n\n INTEGER CELLNO ! Cell no. fo debug output\n INTEGER ITER ! Loop index for Backward Euler iterations\n INTEGER S ! Loop index for species\n INTEGER SP ! Imbedded loop index for species\n INTEGER NEBI ! Loop index for time steps\n INTEGER NINR ! No. of inner time steps\n#ifdef hrdebug\n INTEGER N ! Loop index\n#endif\n INTEGER M ! species index\n INTEGER EBI ! Loop index\n INTEGER NBKUPS ! No. of times time step reduced\n INTEGER ERR ! Allocate error flag\n\n\n LOGICAL LEBI_CONV ! Flag for EBI convergence\n LOGICAL MXFL ! hit MAXPRED flag\n\n REAL( 8 ) DTC ! Time step to take\n REAL( 8 ) DTG ! Time step in degrade routines, sec\n REAL( 8 ) FXDLOSS ! Total loss due to negative stoichiometry\n REAL( 8 ) VARLOSS ! Loss excluding negative stoichiometry\n\n\n#ifdef hrdebug\n CHARACTER( 8 ) :: NOTE ! Convergence fail note\n\n INTEGER COL ! Column to generate deboug output for\n INTEGER ROW ! Row to generate deboug output for\n INTEGER LEV ! Level to generate deboug output for\n INTEGER DBGOUT ! Output unit for debu outpt\n\n LOGICAL LDEBUG ! Debug output flag\n LOGICAL, SAVE :: LOPEN = .FALSE.\n#endif\n\n\nC**********************************************************************\n\n\n IF( LFIRST ) THEN\n LFIRST = .FALSE.\n\n ALLOCATE ( LEBISPFL( NUMB_MECH_SPC ), STAT = ERR )\n IF ( ERR .NE. 0 ) THEN\n MSG = 'Error allocating LEBISPFL'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n END IF\n\n ALLOCATE ( MAXCONC( NUMB_MECH_SPC ), STAT = ERR )\n IF ( ERR .NE. 0 ) THEN\n MSG = 'Error allocating MAXCONC'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n END IF\n\n ALLOCATE ( NOTMAX( NUMB_MECH_SPC ), STAT = ERR )\n IF ( ERR .NE. 0 ) THEN\n MSG = 'Error allocating NOTMAX'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n END IF\n\n ALLOCATE ( RERROR( NUMB_MECH_SPC ), STAT = ERR )\n IF ( ERR .NE. 0 ) THEN\n MSG = 'Error allocating ERROR'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n END IF\n\n ALLOCATE ( AERROR( NUMB_MECH_SPC ), STAT = ERR )\n IF ( ERR .NE. 0 ) THEN\n MSG = 'Error allocating AERROR'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n END IF\n\n END IF\n\n#ifdef sens\n YCDDM = 0.0D0\n#endif\n\nc++++++++++++++++++++++++Debug section++++++++++++++++++++++++++++++++++\n#ifdef hrdebug\n COL = 0\n ROW = 0\n LEV = 0\n IF( C .EQ. COL .AND. R .EQ. ROW .AND. L .EQ. LEV ) THEN\nc IF( JTIME .EQ. 160000 ) THEN\n LDEBUG = .TRUE.\n ELSE\n LDEBUG = .FALSE.\n END IF\n\n IF( LDEBUG ) THEN\n IF( .NOT. LOPEN ) THEN\n DBGOUT = JUNIT()\n OPEN( UNIT = DBGOUT, FILE = 'debug.out' )\n LOPEN = .TRUE.\n END IF\n\n WRITE( DBGOUT, '( A, 2I4, I3, 1X, I7, 1X, I6 ) ' )\n & 'Debug output for col/row/lev/date/time:',\n & C, R, L, JDATE, JTIME\n WRITE( DBGOUT, '( A, F7.2) ' )\n & 'EBI_TMSTEP = ', EBI_TMSTEP\n WRITE( DBGOUT, '( A )' ) 'Starting concs and rate constants'\n DO N = 1, NUMB_MECH_SPC\n WRITE( DBGOUT, '( A, I3, 1X, A, 1X, 1PD13.5 )' )\n & 'SP ',N, CHEMISTRY_SPC( N ), YC( N )\n END DO\n DO N = 1, N_RXNS\n WRITE( DBGOUT, '( A, I3, 1X, 1PD13.5 )' )\n & 'RKI ', N, RKI( N )\n END DO\n END IF\n#endif\nc++++++++++++++++++++++++Debug section++++++++++++++++++++++++++++++++++\n\n\n\n DTC = EBI_TMSTEP\n\n N_EBI_IT = 0\n NBKUPS = 0\n N_INR_STEPS = 1\n NEBI = 1\n LEBI_CONV = .TRUE.\n#ifdef isam\n UPDATE_SOLD = .FALSE.\n UPDATE_PROBABILITIES = .TRUE.\n CALL SA_IRR_UNBLOCKED ( .TRUE., RKI, YC, DTC )\n#endif\n\n\n DO S = 1, NUMB_MECH_SPC\n IF( YC( S ) .LE. MAXPRED )THEN\n NOTMAX( S ) = .TRUE.\n ELSE\n NOTMAX( S ) = .FALSE.\n WRITE(LOGDEV,91000)C, R, L, CHEMISTRY_SPC(S), YC(S)\n END IF\n END DO\n\n! Initial PA_IRR\n IF( CALL_IRR ) CALL PA_IRR ( .TRUE., RKI, YC, DTC )\n SA_DEGRADE_STEP = 0\n TSTEP_EBI: DO ! EBI time-step loop\n\n SUBSTEP_EBI: DO NINR = 1, N_INR_STEPS ! time substeps loop\n! first attempt is sub time-step equals EBI time-step\n\n IF( LEBI_CONV ) YC0 = YC ! Set ICs for EBI iterations\n\n ITER_SUBSTEP: DO ITER = 1, NEBITER ! iteration loop solving for sub time-step\n\n\n N_EBI_IT = N_EBI_IT + 1\n CALL HRRATES\n\nc++++++++++++++++++++++++Debug section++++++++++++++++++++++++++++++++++\n#ifdef hrdebug\n IF( LDEBUG ) THEN\n WRITE( DBGOUT, '( A, I5 )' ) 'ITER NO ', ITER\n WRITE( DBGOUT, '( A, F12.5 )' )\n & ' DTC=', DTC\n\n IF( ITER .EQ. 1 ) THEN\n WRITE( DBGOUT, '( A )' ) 'Starting reaction rates'\n DO N = 1, N_RXNS\n WRITE( DBGOUT, '( A, I3, 1X, 1PD13.5 )' )\n & 'RXRAT ', N, RXRAT( NCELL, N )\n END DO\n END IF\n END IF\n#endif\nc++++++++++++++++++++++++Debug section++++++++++++++++++++++++++++++++++\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Call routines to compute concentrations of groups 1-4\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n CALL HRG1( DTC )\n\n CALL HRG2( DTC )\n\n CALL HRG3( DTC )\n\n CALL HRG4( DTC )\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Do the Euler backward method\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n CALL HRPRODLOSS\n\n DO EBI = 1, N_EBISP\n S = EBISP( EBI )\n YCP( S ) = YC( S )*( ( YC0( S ) + PROD( S ) * DTC )\n & / ( YC( S ) + LOSS( S ) * DTC ) )\n END DO\n\n\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Check for convergence\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n LEBI_CONV = .TRUE.\n MXFL = .FALSE.\n\n DO S = 1, NUMB_MECH_SPC\n LEBISPFL( S ) = .FALSE.\n YCP( S ) = MAX( ZERO, YCP( S ) )\n AERROR( S ) = MAX( ABS( YC(S)-YCP(S) ), EPSLON )\n RERROR( S ) = AERROR( S ) / MAX( FLOOR, ABS( YC(S)+YCP(S) ) )\n IF( RERROR( S ) .GT. RTOL(S) .OR. AERROR( S ) .GT. 1.0D-5 )THEN\n LEBI_CONV = .FALSE.\n LEBISPFL( S ) = .TRUE.\n END IF\nc..test if predictions growing too large\n IF( YCP( S ) .GT. MAXPRED .AND. NOTMAX( S ) ) THEN\n MXFL = .TRUE.\n LEBI_CONV = .FALSE.\n LEBISPFL( S ) = .TRUE.\n END IF\n YC( S ) = YCP( S )\n END DO\nc..test if predictions growing too large, abort interation loop\n IF( MXFL ) EXIT ITER_SUBSTEP\n\nc++++++++++++++++++++++++Debug section++++++++++++++++++++++++++++++++++\n#ifdef hrdebug\n IF( LDEBUG ) THEN\n WRITE( DBGOUT, '( A, I5 )' ) 'Concs after ITER= ', ITER\n DO S = 1, NUMB_MECH_SPC\n\n IF( LEBISPFL( S ) ) THEN\n NOTE = 'CONV FAIL'\n ELSE\n NOTE = ' '\n END IF\n\n WRITE( DBGOUT, '( I3, 1X, A, 1PD13.5, 1X, A )' )\n & S, CHEMISTRY_SPC( S ), YC( S ), NOTE\n END DO\n IF( LEBI_CONV ) WRITE( DBGOUT, '( A )' )\n & '****Convergence achieved'\n END IF\n#endif\nc++++++++++++++++++++++++Debug section++++++++++++++++++++++++++++++++++\n\n IF( LEBI_CONV ) THEN\n\n DTG = 60.0D0 * DTC\n DO S = 1, NUMB_MECH_SPC\n M = CGRID_INDEX( S )\n YCCELL( M ) = YC( S )\n END DO\n#if defined(isam) || defined(verbose_isam)\n SA_DEGRADE_STEP = SA_DEGRADE_STEP + 1\n#endif\n IF( CALL_DEG )CALL DEGRADE(YCCELL, DTG, JDATE, JTIME) ! :WTH Call degradation routine\n\n IF( CALL_IRR ) CALL PA_IRR ( .FALSE., RKI, YC, DTC )\n#ifdef isam\n IF( NEBI .EQ. N_EBI_STEPS )UPDATE_SOLD = .TRUE.\n CALL SA_IRR_UNBLOCKED ( .FALSE., RKI, YC, DTC )\n UPDATE_PROBABILITIES = .FALSE.\n#endif\n\n#ifdef sens\nC Update the sum for the average over the chemistry integration\n YCDDM = YCDDM\n & + ( ( 0.5D0 * DTC ) * ( YC + YC0 ) )\n#endif\n\n CYCLE SUBSTEP_EBI ! solve for next sub time-step\n\n END IF\n\n END DO ITER_SUBSTEP\n! interating for substep failed, attempt to increase number of sub time-steps\n NBKUPS = NBKUPS + 1\n\n! IF( NBKUPS .LE. MXBKUPS ) THEN\n IF ( DTC .GT. DTMIN ) THEN\n! reset YC and cut sub time-step in half\n IF ( MXFL ) THEN\n WRITE( LOGDEV, 92008 ) NBKUPS\n WRITE( LOGDEV, 92009 ) C+PECOL_OFFSET, R+PEROW_OFFSET, L\n DO S = 1, NUMB_MECH_SPC\n IF( LEBISPFL( S ) )WRITE( LOGDEV, 92010 )TRIM( CHEMISTRY_SPC( S ) ),\n & YC0(S), YCP(S)\n END DO\n ELSE\n WRITE( LOGDEV, 92000 ) C+PECOL_OFFSET, R+PEROW_OFFSET, L, NBKUPS\n DO S = 1, NUMB_MECH_SPC\n IF( LEBISPFL( S ) )WRITE( LOGDEV, 92010 )TRIM( CHEMISTRY_SPC( S ) ),\n & YC0(S), YCP(S)\n END DO\n END IF\n\n YC = YC0 ! Set ICs for EBI time-step\n\n DTC = 0.5D0 * DTC\n\n N_INR_STEPS = 2 ** NBKUPS\n\n EXIT SUBSTEP_EBI\n\n ELSE\n\n WRITE( LOGDEV, 92040 ) C+PECOL_OFFSET, R+PEROW_OFFSET, L\n\n WRITE( LOGDEV, 92060 )\n DO S = 1, NUMB_MECH_SPC\n IF( LEBISPFL( S ) ) WRITE( LOGDEV, 92080 ) CHEMISTRY_SPC( S ),\n & YC0(S), YCP(S)\n END DO\n\n MSG = 'ERROR: Stopping because of EBI convergence failures'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT2 )\n\n END IF\n\n END DO SUBSTEP_EBI\n\n IF( LEBI_CONV )THEN\n NEBI = 1 + NEBI\n! test for completing final EBI time-step\n IF( NEBI .GT. N_EBI_STEPS )EXIT TSTEP_EBI\n! test whether backups were done\n IF( NBKUPS .EQ. 0 )CYCLE TSTEP_EBI\n! Reset NBKUPS, N_INR_STEPS and sub-time step\n NBKUPS = 0\n N_INR_STEPS = 1\n DTC = EBI_TMSTEP\n END IF\n\n END DO TSTEP_EBI\n\n#ifdef sens\n! Compute average over integration and filter values\n YCDDM = YCDDM / CHEMSTEP\n WHERE ( YCDDM .LT. 1.0D-25 ) YCDDM = 0.0D0\n#endif\n\n\n RETURN\n\n\n91000 FORMAT( 'WARNING: EBI solver in cell (',2(I4,','),I4,') Init.Conc. for ',\n & A16, ' = ', ES12.4,' ppmV')\n\n92000 FORMAT( 'WARNING: EBI Euler convergence failure' /\n & ' Reducing EBI time step because of ',\n & ' convergence failure in ' /\n & ' Cell (', I3, ', ', I3, ', ', I3, ')' ,\n & ' Solution Attempt #', I2 /\n & ' Below Species Causing Error: Init.Conc, Pred.Conc.' )\n\n92008 FORMAT( 'WARNING: At solution attempt #', I2 )\n92009 FORMAT( 'WARNING: EBI Euler convergence failure' /\n & ' Reducing EBI time step because of ',\n & ' MAXPRED failure in ' /\n & ' Cell (', I3, ', ', I3, ', ', I3, ')' ,\n & ' for the below species: : Init.Conc, Pred.Conc.')\n92010 FORMAT( A16, 2(1X,ES12.4), ' ppmV' )\n\n92040 FORMAT( 'ERROR: Max number of EBI time step reductions exceeded'\n & / ' Convergence failure for cell (', I3, ', ', I3,\n & ', ', I3, ')' )\n\n92060 FORMAT( ' Convergence failure for the following species:',\n & 'Init.Conc, Pred.Conc.' )\n\n92080 FORMAT( 10X, A, 2(1X,ES12.4), ' ppmV ' )\n\n92061 FORMAT( ' Convergence failure for the following species:',\n & 'Init.Conc, Pred.Conc.,Rel.Error,' )\n\n92081 FORMAT( 10X, A, 2(1X,ES12.4), ' ppmV ', ES12.4,'%' )\n\n END\n" }, { "path": "CCTM/src/gas/ebi_saprc07tc_ae6_aq/hrdata_mod.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n MODULE HRDATA\n\nC*************************************************************************\nC\nC FUNCTION: Mechanism & solver data for EBI solver\nC\nC PRECONDITIONS: For the SAPRC07TC_AE6_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 8, 2022\nC\nC 18 Jul 14 B.Hutzell: revised to use real(8) variables for solution\nC*************************************************************************\n\nc..EBI solver fixed parameters\n INTEGER, PARAMETER :: NEBITER = 1000 ! No. of iterations for EBI\n INTEGER, PARAMETER :: MAX_CELLS_EBI = 1 ! max # cells in local conc arrays\n REAL( 8 ), PARAMETER :: DELTAT = 2.500D+00 ! EBI time step (min)\n\nc..Mechanism specific variables\n INTEGER N_SPEC ! No. of species in mechanism\n INTEGER N_RXNS ! No. of reactions in mechanism\n INTEGER N_EBISP ! No. of species solved by EBI\n INTEGER NING1 ! No. of species in group 1\n INTEGER NING2 ! No. of species in group 2\n INTEGER N_SPCL_RKS ! No. of special rate constants\n INTEGER N_ACTSP ! No. of species in mechanism (non-ss spec)\n INTEGER NCELL ! cell number in EBI Block\n\nc..Control flags\n LOGICAL L_AE_VRSN ! Flag for aerosol version of mech\n LOGICAL L_AQ_VRSN ! Flag for aqueous chemistry version of mech\n LOGICAL CALL_IRR ! Flag initializing for IRR and calling PA_IRR\n\n ! SWITCH for calling DEGRADE routine\n LOGICAL, SAVE :: CALL_DEG = .TRUE.\n\nc..Miscellaneous variables\n INTEGER N_EBI_IT ! No. of iterations for EBI\n INTEGER N_EBI_STEPS ! No. of time steps for EBI\n INTEGER N_INR_STEPS ! No. of inner time steps for EBI\n INTEGER PECOL_OFFSET ! Local Column Offset for processor\n INTEGER PEROW_OFFSET ! Local Column Offset for processor\n \n INTEGER, SAVE :: MODEL_SPECIES ! No. of species in CGRID\n\n REAL( 8 ) EBI_TMSTEP ! Time step for EBI loops (min)\n REAL( 8 ) CHEMSTEP ! Chemistry integration interval (min)\n\nc...Allocatable arrays\n INTEGER, ALLOCATABLE :: EBISP( : ) ! Index of EBI species\n INTEGER, ALLOCATABLE :: SSASP( : ) ! Index of ss species\n INTEGER, ALLOCATABLE :: ACTSP( : ) ! Index of active species\n INTEGER, ALLOCATABLE :: IOLD2NEW( :,: ) ! YC species map, used if NSPECIAL > 0\n\n REAL( 8 ), ALLOCATABLE :: RKI( : ) ! Rate constants\n REAL( 8 ), ALLOCATABLE :: RKI_SAV( :, : ) ! Saved values of RKI for SS species calcs\n\n REAL( 8 ), ALLOCATABLE :: YC ( : ) ! Species concentrations\n REAL( 8 ), ALLOCATABLE :: YC0( : ) ! Species concentrations\n REAL( 8 ), ALLOCATABLE :: YCP( : ) ! Species concentrations\n REAL( 8 ), ALLOCATABLE :: SYC( :, : ) ! Species concentrations\n\n REAL, ALLOCATABLE :: FORWARD_CONV( : ) ! CGRID to CHEM Species conversion factor\n REAL, ALLOCATABLE :: REVERSE_CONV( : ) ! CHEM to CGRID Species conversion factor\n\n REAL( 8 ), ALLOCATABLE :: RXRAT( : ) ! Reaction rates\n REAL( 8 ), ALLOCATABLE :: RTOL( : ) ! Species tolerances\n REAL( 8 ), ALLOCATABLE :: YCCELL( : ) ! ALL Species in cgrid\n REAL( 8 ), ALLOCATABLE :: PROD( : ) ! Prod of species\n REAL( 8 ), ALLOCATABLE :: LOSS( : ) ! Loss of species\n\n REAL, ALLOCATABLE :: PRES( :, :, : ) ! pressure (Pa)\n REAL, ALLOCATABLE :: QV ( :, :, : ) ! water vapor (Kg/Kg air)\n REAL, ALLOCATABLE :: TA ( :, :, : ) ! temperature (K)\n\n REAL, ALLOCATABLE :: SEAICE ( :, :) ! fractional seaice cover, [-]\n REAL, ALLOCATABLE :: DENS( :, :, : ) ! mass density (Kg/m^3)\n\n REAL, ALLOCATABLE :: SEAWATER_ZONE ( :,: ) ! fractional area of OPEN+SURF\n LOGICAL, ALLOCATABLE :: LFLAGIRR ( :,:,: ) ! Conduct IRR for cell\n\n REAL( 8 ), ALLOCATABLE :: ATMPRES ( : ) ! Cell pressure, Atm\n! REAL( 8 ), ALLOCATABLE :: PRESCELL( : ) ! Cell pressure, Pa\n REAL( 8 ), ALLOCATABLE :: H2O ( : ) ! Cell H2O mixing ratio (ppmV)\n REAL( 8 ), ALLOCATABLE :: TEMP ( : ) ! Cell Temperature\n REAL( 8 ), ALLOCATABLE :: DENSITY ( : ) ! Cell mass density (Kg/m3)\n REAL( 8 ), ALLOCATABLE :: HET ( :, : ) ! cell heterogeneous reaction rates\n REAL( 8 ), ALLOCATABLE :: RJIN ( :, : ) ! J-values for a cell\n REAL( 8 ), ALLOCATABLE :: SEAWATER ( : ) ! fractional area of OPEN+SURF for specific cell\n\nc..Species indices\n INTEGER, PARAMETER :: NO2 = 1\n INTEGER, PARAMETER :: NO = 2\n INTEGER, PARAMETER :: O3P = 3\n INTEGER, PARAMETER :: O3 = 4\n INTEGER, PARAMETER :: NO3 = 5\n INTEGER, PARAMETER :: N2O5 = 6\n INTEGER, PARAMETER :: HNO3 = 7\n INTEGER, PARAMETER :: O1D = 8\n INTEGER, PARAMETER :: OH = 9\n INTEGER, PARAMETER :: HONO = 10\n INTEGER, PARAMETER :: HO2 = 11\n INTEGER, PARAMETER :: CO = 12\n INTEGER, PARAMETER :: CO2 = 13\n INTEGER, PARAMETER :: HNO4 = 14\n INTEGER, PARAMETER :: HO2H = 15\n INTEGER, PARAMETER :: SO2 = 16\n INTEGER, PARAMETER :: SULF = 17\n INTEGER, PARAMETER :: SULRXN = 18\n INTEGER, PARAMETER :: MEO2 = 19\n INTEGER, PARAMETER :: HCHO = 20\n INTEGER, PARAMETER :: COOH = 21\n INTEGER, PARAMETER :: MEOH = 22\n INTEGER, PARAMETER :: RO2C = 23\n INTEGER, PARAMETER :: RO2XC = 24\n INTEGER, PARAMETER :: MECO3 = 25\n INTEGER, PARAMETER :: PAN = 26\n INTEGER, PARAMETER :: CCOOOH = 27\n INTEGER, PARAMETER :: CCOOH = 28\n INTEGER, PARAMETER :: RCO3 = 29\n INTEGER, PARAMETER :: PAN2 = 30\n INTEGER, PARAMETER :: xHO2 = 31\n INTEGER, PARAMETER :: yROOH = 32\n INTEGER, PARAMETER :: xCCHO = 33\n INTEGER, PARAMETER :: RCOOOH = 34\n INTEGER, PARAMETER :: RCOOH = 35\n INTEGER, PARAMETER :: BZCO3 = 36\n INTEGER, PARAMETER :: PBZN = 37\n INTEGER, PARAMETER :: BZO = 38\n INTEGER, PARAMETER :: MACO3 = 39\n INTEGER, PARAMETER :: MAPAN = 40\n INTEGER, PARAMETER :: TBUO = 41\n INTEGER, PARAMETER :: RNO3 = 42\n INTEGER, PARAMETER :: ACETONE = 43\n INTEGER, PARAMETER :: NPHE = 44\n INTEGER, PARAMETER :: CRES = 45\n INTEGER, PARAMETER :: xOH = 46\n INTEGER, PARAMETER :: xNO2 = 47\n INTEGER, PARAMETER :: xMEO2 = 48\n INTEGER, PARAMETER :: xMECO3 = 49\n INTEGER, PARAMETER :: xRCO3 = 50\n INTEGER, PARAMETER :: xMACO3 = 51\n INTEGER, PARAMETER :: xTBUO = 52\n INTEGER, PARAMETER :: xCO = 53\n INTEGER, PARAMETER :: CCHO = 54\n INTEGER, PARAMETER :: RCHO = 55\n INTEGER, PARAMETER :: xHCHO = 56\n INTEGER, PARAMETER :: MEK = 57\n INTEGER, PARAMETER :: zRNO3 = 58\n INTEGER, PARAMETER :: xRCHO = 59\n INTEGER, PARAMETER :: HCOOH = 60\n INTEGER, PARAMETER :: xMGLY = 61\n INTEGER, PARAMETER :: xBACL = 62\n INTEGER, PARAMETER :: ROOH = 63\n INTEGER, PARAMETER :: xPROD2 = 64\n INTEGER, PARAMETER :: R6OOH = 65\n INTEGER, PARAMETER :: PRD2 = 66\n INTEGER, PARAMETER :: yR6OOH = 67\n INTEGER, PARAMETER :: RAOOH = 68\n INTEGER, PARAMETER :: MGLY = 69\n INTEGER, PARAMETER :: IPRD = 70\n INTEGER, PARAMETER :: xGLY = 71\n INTEGER, PARAMETER :: xMEK = 72\n INTEGER, PARAMETER :: xAFG1 = 73\n INTEGER, PARAMETER :: xAFG2 = 74\n INTEGER, PARAMETER :: GLY = 75\n INTEGER, PARAMETER :: AFG1 = 76\n INTEGER, PARAMETER :: AFG2 = 77\n INTEGER, PARAMETER :: HCOCO3 = 78\n INTEGER, PARAMETER :: BACL = 79\n INTEGER, PARAMETER :: BALD = 80\n INTEGER, PARAMETER :: AFG3 = 81\n INTEGER, PARAMETER :: xIPRD = 82\n INTEGER, PARAMETER :: MACR = 83\n INTEGER, PARAMETER :: MVK = 84\n INTEGER, PARAMETER :: xHOCCHO = 85\n INTEGER, PARAMETER :: xRNO3 = 86\n INTEGER, PARAMETER :: HOCCHO = 87\n INTEGER, PARAMETER :: xACETONE = 88\n INTEGER, PARAMETER :: ACROLEIN = 89\n INTEGER, PARAMETER :: xBALD = 90\n INTEGER, PARAMETER :: xAFG3 = 91\n INTEGER, PARAMETER :: xMACR = 92\n INTEGER, PARAMETER :: xMVK = 93\n INTEGER, PARAMETER :: yISOPOOH = 94\n INTEGER, PARAMETER :: ISOPOOH = 95\n INTEGER, PARAMETER :: yRAOOH = 96\n INTEGER, PARAMETER :: xACROLEIN = 97\n INTEGER, PARAMETER :: ETHENE = 98\n INTEGER, PARAMETER :: PROPENE = 99\n INTEGER, PARAMETER :: BUTADIENE13 = 100\n INTEGER, PARAMETER :: ISOPRENE = 101\n INTEGER, PARAMETER :: ISOPRXN = 102\n INTEGER, PARAMETER :: IEPOX = 103\n INTEGER, PARAMETER :: ARO2MN = 104\n INTEGER, PARAMETER :: IEPOXOO = 105\n INTEGER, PARAMETER :: APIN = 106\n INTEGER, PARAMETER :: TRPRXN = 107\n INTEGER, PARAMETER :: ACETYLENE = 108\n INTEGER, PARAMETER :: BENZENE = 109\n INTEGER, PARAMETER :: BENZRO2 = 110\n INTEGER, PARAMETER :: TOLUENE = 111\n INTEGER, PARAMETER :: TOLRO2 = 112\n INTEGER, PARAMETER :: MXYL = 113\n INTEGER, PARAMETER :: XYLRO2 = 114\n INTEGER, PARAMETER :: OXYL = 115\n INTEGER, PARAMETER :: PXYL = 116\n INTEGER, PARAMETER :: TMBENZ124 = 117\n INTEGER, PARAMETER :: ETOH = 118\n INTEGER, PARAMETER :: ALK1 = 119\n INTEGER, PARAMETER :: ALK2 = 120\n INTEGER, PARAMETER :: ALK3 = 121\n INTEGER, PARAMETER :: ALK4 = 122\n INTEGER, PARAMETER :: ALK5 = 123\n INTEGER, PARAMETER :: SOAALK = 124\n INTEGER, PARAMETER :: ALKRXN = 125\n INTEGER, PARAMETER :: OLE1 = 126\n INTEGER, PARAMETER :: OLE2 = 127\n INTEGER, PARAMETER :: ARO1 = 128\n INTEGER, PARAMETER :: NAPHTHAL = 129\n INTEGER, PARAMETER :: PAHRO2 = 130\n INTEGER, PARAMETER :: TERP = 131\n INTEGER, PARAMETER :: SESQ = 132\n INTEGER, PARAMETER :: SESQRXN = 133\n INTEGER, PARAMETER :: CL2 = 134\n INTEGER, PARAMETER :: CL = 135\n INTEGER, PARAMETER :: CLNO = 136\n INTEGER, PARAMETER :: CLONO = 137\n INTEGER, PARAMETER :: CLNO2 = 138\n INTEGER, PARAMETER :: HCL = 139\n INTEGER, PARAMETER :: CLO = 140\n INTEGER, PARAMETER :: CLONO2 = 141\n INTEGER, PARAMETER :: HOCL = 142\n INTEGER, PARAMETER :: xCL = 143\n INTEGER, PARAMETER :: xCLCCHO = 144\n INTEGER, PARAMETER :: xCLACET = 145\n INTEGER, PARAMETER :: CLCCHO = 146\n INTEGER, PARAMETER :: CLACET = 147\n INTEGER, PARAMETER :: CLCHO = 148\n INTEGER, PARAMETER :: BNZNRXN = 149\n INTEGER, PARAMETER :: BNZHRXN = 150\n INTEGER, PARAMETER :: XYLNRXN = 151\n INTEGER, PARAMETER :: XYLHRXN = 152\n INTEGER, PARAMETER :: TOLNRXN = 153\n INTEGER, PARAMETER :: TOLHRXN = 154\n INTEGER, PARAMETER :: PAHNRXN = 155\n INTEGER, PARAMETER :: PAHHRXN = 156\n INTEGER, PARAMETER :: HCHO_PRIMARY = 157\n INTEGER, PARAMETER :: CCHO_PRIMARY = 158\n INTEGER, PARAMETER :: ACRO_PRIMARY = 159\n INTEGER, PARAMETER :: H2NO3PIJ = 160\n INTEGER, PARAMETER :: H2NO3PK = 161\n INTEGER, PARAMETER :: ACLI = 162\n INTEGER, PARAMETER :: ACLJ = 163\n INTEGER, PARAMETER :: ACLK = 164\n INTEGER, PARAMETER :: AXYL1J = 165\n INTEGER, PARAMETER :: AOLGAJ = 166\n INTEGER, PARAMETER :: AXYL2J = 167\n INTEGER, PARAMETER :: ATOL1J = 168\n INTEGER, PARAMETER :: ATOL2J = 169\n INTEGER, PARAMETER :: ABNZ1J = 170\n INTEGER, PARAMETER :: ABNZ2J = 171\n INTEGER, PARAMETER :: ATRP1J = 172\n INTEGER, PARAMETER :: AOLGBJ = 173\n INTEGER, PARAMETER :: ATRP2J = 174\n INTEGER, PARAMETER :: AISO1J = 175\n INTEGER, PARAMETER :: AISO2J = 176\n INTEGER, PARAMETER :: ASQTJ = 177\n INTEGER, PARAMETER :: APAH1J = 178\n INTEGER, PARAMETER :: APAH2J = 179\n INTEGER, PARAMETER :: AALK1J = 180\n INTEGER, PARAMETER :: AALK2J = 181\n INTEGER, PARAMETER :: APOCI = 182\n INTEGER, PARAMETER :: APNCOMI = 183\n INTEGER, PARAMETER :: APOCJ = 184\n INTEGER, PARAMETER :: APNCOMJ = 185\n INTEGER, PARAMETER :: PCVOC = 186\n INTEGER, PARAMETER :: PCSOARXN = 187\n INTEGER, PARAMETER :: VLVPO1 = 188\n INTEGER, PARAMETER :: VSVPO1 = 189\n INTEGER, PARAMETER :: VSVPO2 = 190\n INTEGER, PARAMETER :: VSVPO3 = 191\n INTEGER, PARAMETER :: VIVPO1 = 192\n INTEGER, PARAMETER :: VLVOO1 = 193\n INTEGER, PARAMETER :: VLVOO2 = 194\n INTEGER, PARAMETER :: VSVOO2 = 195\n INTEGER, PARAMETER :: VSVOO3 = 196\n INTEGER, PARAMETER :: VSVOO1 = 197\n INTEGER, PARAMETER :: AISO3J = 198\n\n END MODULE HRDATA\n" }, { "path": "CCTM/src/gas/ebi_saprc07tc_ae6_aq/hrdriver.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE CHEM( CGRID, JDATE, JTIME, TSTEP )\nC**********************************************************************\nC\nC FUNCTION: Driver subroutine for Euler Backward Iterative solver\nC\nC PRECONDITIONS: For the SAPRC07TC_AE6_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: HRINIT, HRCALCKS, HRSOLVER\nC FIND_DEGRADED, INIT_DEGRADE, FINAL_DEGRADE\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 8, 2022\nC Based on the algorithm in \"Test of Two Numerical\nC Schemes for Use in Atmospheric Transport-Chemistry\nC Models\", O. Hertel, R. Berkowicz, J. Christensen,\nC and O. Hov, Atm Env., Vol. 27A, No. 16, 1993.\nC Original MEBI code developed by Ho-Chun Huang,\nC SUNY, Albany -- \"On the performance of numerical\nC solvers for a chemistry submodel in three-dimensional\nC air quality models 1. Box model simulations\",\nC H. Huang and J.S. Chang, JGR, Vol 106, No. D17, 2001.\nC This version replaces Huang and Chang use of numerical\nC solutions with analytical solutions derived in\nC Hertel et al.\nC 21 Jun 10 J.Young: convert for Namelist redesign\nC 11 May 11 D.Wong: incorporated twoway model implementation\nC 27 Sep 11 B.Hutzell: revised method for defining CALL_DEG variable\nC 18 Jul 14 B.Hutzell: revised: 1) to use the RXNS_DATA and RXNS_FUNCTION\nC modules instead of include files, 2) to enable\nC reactions between species types, 3) to calculate\nC heterogeneous rate constants via AEROSOL_CHEMISTRY\nC module, 4) to replace call to HRCALCKS with\nC subroutine in RXNS_FUNCTION module and 5) to change\nC how degrade routines are used, if present\nC 02 Dec 14 B.Hutzell: 1) added terrestrial data to conduct surface\nC dependent reactions and 2) modified the call CALC_RCONST\nC routine\nC 01 Feb 19 D.Wong: Implemented centralized I/O approach, removed all MY_N\nC clauses\nC**********************************************************************\n\n USE HGRD_DEFN ! horizontal domain specifications\n USE VGRD_DEFN ! vertical layer specifications\n USE CGRID_SPCS ! CGRID mechanism species\n USE UTILIO_DEFN ! IOAPI parameters and functions declarations\n USE RXNS_DATA\n USE AEROSOL_CHEMISTRY\n USE RXNS_FUNCTION\n#ifdef isam\n USE SA_IRR_DEFN\n USE SA_DEFN\n#endif\n USE HRDATA\n USE PHOT_MOD, Only: INIT_PHOT_SHARED, RJ ! photolysis rate, in-line module\n USE PA_DEFN, Only: LIRR ! Process Analysis control and data variable\n USE PA_IRR_CLT\n#ifndef isam\n USE DEGRADE_ROUTINES, ONLY : N_REACT, RXTANT_MAP, DEG_LAY, DEG_COL, DEG_ROW,\n & FIND_DEGRADED, INIT_DEGRADE, FINAL_DEGRADE\n#else\n USE DEGRADE_ROUTINES, ONLY : N_REACT, RXTANT_MAP, SA_DEGRADE_EXTRACT,\n & FIND_DEGRADED, INIT_DEGRADE, FINAL_DEGRADE,\n & SA_DEGRADE_UPLOAD, DEG_LAY, DEG_COL, DEG_ROW\n#endif\n USE CENTRALIZED_IO_MODULE, ONLY : INTERPOLATE_VAR, OCEAN, SZONE\n#ifdef sens\n USE DDM3D_CHEM\n Use DDM3D_DEFN, Only: DATENUM, STARTDATE, IPT, IDATE, HIGH, NP, NPMAX, CKTIME\n#endif\n\n IMPLICIT NONE\n\nC..Includes:\n INCLUDE SUBST_FILES_ID ! CMAQ files\n INCLUDE SUBST_CONST ! CMAQ constants\n\n INCLUDE SUBST_EMISPRM ! Emissions processing control parameters\n\nC..Arguments:\n REAL, POINTER :: CGRID( :,:,:,: ) ! Species concentrations\n INTEGER JDATE ! Current date (YYYYDDD)\n INTEGER JTIME ! Current time (HHMMSS)\n INTEGER TSTEP( 3 ) ! Time step vector (HHMMSS)\n\nC..Parameters:\n REAL( 8 ), PARAMETER :: DCONMIN = 1.0D-30 ! minimum species concentration allowed\n REAL, PARAMETER :: CONCMIN = 1.0E-30 ! minimum species concentration allowed\n REAL, PARAMETER :: MAOMV = 1.0E6 * MWAIR / MWWAT ! Mol Wt of air over Mol Wt of water times 1.0E6\n\nC..External Functions:\n\n\nC..Saved Local Variables:\n\n CHARACTER( 16 ), SAVE :: PNAME = 'HRDRIVER' ! Program name\n\n INTEGER, SAVE :: ISTFL ! Unit no. of iteration stat output file\n LOGICAL, SAVE :: LFIRST = .TRUE. ! Flag for first call to this subroutine\n\n REAL( 8 ), SAVE :: PA2ATM ! Pascal to atm conv fac\n\nC..Scratch Local Variables:\n CHARACTER( 132 ) :: MSG ! Message text\n CHARACTER( 16 ) :: VNAME ! Name of I/O API data variable\n\n INTEGER C, E, L, R, S ! Loop indices\n INTEGER ISP ! array index\n\n INTEGER AVGEBI ! Average no. of EBI iterations\n INTEGER DELT_SEC ! EBI max time step in seconds\n INTEGER ESP ! Loop index for emissions species\n INTEGER ITMSTEP ! Chemistry integration interval (sec)\n INTEGER LEV ! Layer index\n INTEGER MIDDATE ! Date at time step midpoint\n INTEGER MIDTIME ! Time at time step midpoint\n INTEGER NPH ! Index for number of phot. rxns in PHOT\n INTEGER SPC ! Species loop index\n#ifdef hrstats\n INTEGER MNEBI ! Min no. of EBI iterations\n INTEGER MXEBI ! Max no. of EBI iterations\n#endif\n\n LOGICAL LSUNLIGHT ! Flag for sunlight\n\n REAL INV_DENS ! reciprocal of air mass density, m3/Kg\n#ifdef hrstats\n REAL SUMEBI ! Sum of EBI iterations\n#endif\n\n INTERFACE\n SUBROUTINE HRSOLVER( JDATE, JTIME, C, R, L )\n INTEGER, INTENT( IN ) :: JDATE ! Current date (YYYYDDD)\n INTEGER, INTENT( IN ) :: JTIME ! Current time (HHMMSS)\n INTEGER, INTENT( IN ) :: C, R, L ! Cell col, row, lev\n END SUBROUTINE HRSOLVER\n SUBROUTINE HETCHEM_UPDATE_AERO( CGRID )\n REAL, POINTER :: CGRID( :,:,:,: ) ! species concentration in cell\n END SUBROUTINE HETCHEM_UPDATE_AERO\n END INTERFACE\n\nC**********************************************************************\n\n IF( NUMB_MECH_SPC .EQ. 0 ) RETURN\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc On first call, call routines to set-up for EBI solver\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF( LFIRST ) THEN\n\n IF( MECHNAME .NE. 'SAPRC07TC_AE6_AQ' ) THEN\n MSG = 'This version of the EBI solver can only be used with'\n & // ' the SAPRC07TC_AE6_AQ chemical mechanism'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n#ifdef emis_chem\n EMISVD = .FALSE.\n#else\n EMISVD = .TRUE.\n#endif\n\n IF( INDEX( MECHNAME, 'AE' ) .NE. 0 ) THEN\n L_AE_VRSN = .TRUE.\n ELSE\n L_AE_VRSN = .FALSE.\n END IF\n\n IF( INDEX( MECHNAME, 'AQ' ) .NE. 0 ) THEN\n L_AQ_VRSN = .TRUE.\n ELSE\n L_AQ_VRSN = .FALSE.\n END IF\n\n IF( LIRR ) THEN\n CALL_IRR = .TRUE.\n ELSE\n CALL_IRR = .FALSE.\n END IF\n\n MODEL_SPECIES = NSPCSD ! WTH: find number of model species\n\n! Determine whether DEGRADE rountines are needed.\n\n CALL FIND_DEGRADED( JDATE, JTIME, CALL_DEG )\n IF( CALL_DEG )THEN\n WRITE(LOGDEV,*)'TX DEGRADE ROUTINES USED'\n WRITE(LOGDEV,*)'Mechanism contains degraded species'\n#ifdef verbose_gas\n ELSE\n WRITE(LOGDEV,*)'TX DEGRADE ROUTINES OMITTED'\n WRITE(LOGDEV,*)'MECHANISM does not include degraded species'\n#endif\n END IF\n\n CALL HRINIT\n\n ITMSTEP = TIME2SEC( TSTEP( 2 ) )\n CHEMSTEP = REAL( ITMSTEP, 8 ) / 60.0D0\n WRITE( LOGDEV, 92000 ) CHEMSTEP, DELTAT\n\n WRITE( LOGDEV, 92020 )\n DO SPC = 1, NUMB_MECH_SPC\n WRITE( LOGDEV, 92040 ) CHEMISTRY_SPC( SPC ), RTOL( SPC )\n END DO\n\n PA2ATM = REAL( 1.0 / STDATMPA, 8)\n\nc..If emissions processing requested stop\n IF( .NOT. EMISVD ) THEN ! assumes emis processing in gas chem\n\n MSG = 'ERROR: EBI solver not configured to '//\n & 'process emissions in chemistry'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n\n END IF ! End if doing emissions\n\n\n#ifdef hrstats\n ISTFL = JUNIT()\n OPEN( UNIT=ISTFL, FILE='iterstat.dat' )\n WRITE( ISTFL, 94020 )\n#endif\nC Define processor offsets\n\n PECOL_OFFSET = COLSD_PE( 1, MYPE+1 ) - 1\n PEROW_OFFSET = ROWSD_PE( 1, MYPE+1 ) - 1\n\n ALLOCATE( SEAWATER_ZONE( NCOLS, NROWS ) )\n DO R = 1, NROWS\n DO C = 1, NCOLS\n SEAWATER_ZONE( C,R ) = OCEAN( C,R ) + SZONE( C,R )\n END DO\n END DO\n\n ALLOCATE( DENS( NCOLS, NROWS, NLAYS ), PRES( NCOLS, NROWS, NLAYS ),\n & QV ( NCOLS, NROWS, NLAYS ), TA ( NCOLS, NROWS, NLAYS ),\n & SEAICE( NCOLS, NROWS ) )\n\nC..Initialize shared photolysis data\n CALL INIT_PHOT_SHARED()\n\nC..Determine which cells need IRR\n ALLOCATE( LFLAGIRR ( NCOLS, NROWS, NLAYS ) )\n CALL PA_IRR_CKCELLS ( LFLAGIRR )\n\n#ifdef isam\n NUMB_ISAM_CELLS = 1.0D0 / ( NCOLS * NROWS * NLAYS )\n CALL SA_IRR_INIT\n#endif\n\n#ifdef sens\n CALL INIT_DDM3D_CHEM()\n\nC For higher order sensitivities\n IF ( HIGH ) THEN\n DO RXN = 1, NRXNS\n IF( NREACT( RXN ) .EQ. 1 ) THEN\n ORDER1( RXN ) = .TRUE.\n ELSE\n ORDER1( RXN ) = .FALSE.\n END IF\n END DO\n END IF\n#endif\n\n LFIRST = .FALSE.\n\n END IF ! First time\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC Set date and time to center of time step, get necessary physical\nC data\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n MIDDATE = JDATE\n MIDTIME = JTIME\n ITMSTEP = TIME2SEC( TSTEP( 2 ) )\n CHEMSTEP = REAL( ITMSTEP, 8 ) / 60.0D0\n CALL NEXTIME( MIDDATE, MIDTIME, SEC2TIME( ITMSTEP / 2 ) )\n\nC.. Compute number of time step loops and step size for EBI solver\n DELT_SEC = INT( DELTAT * 60.0D0 + 0.1D0 )\n IF( DELT_SEC .GE. ITMSTEP ) THEN\n N_EBI_STEPS = 2\n EBI_TMSTEP = 0.5D0 * CHEMSTEP\n ELSE\n IF( MOD( ITMSTEP, DELT_SEC ) .EQ. 0 ) THEN\n N_EBI_STEPS = ITMSTEP / DELT_SEC\n ELSE\n N_EBI_STEPS = ITMSTEP / DELT_SEC + 1\n END IF\n EBI_TMSTEP = CHEMSTEP / REAL( N_EBI_STEPS, 8 )\n END IF\n\n N_INR_STEPS = 1\n\n\nC.. Get fractional seaice coverage from the METCRO2D file.\n\n CALL INTERPOLATE_VAR ('SEAICE', MIDDATE, MIDTIME, SEAICE)\n\nC.. Get ambient temperature in K\n\n CALL INTERPOLATE_VAR ('TA', MIDDATE, MIDTIME, TA)\n\nC.. Get specific humidity in Kg H2O / Kg air\n CALL INTERPOLATE_VAR ('QV', MIDDATE, MIDTIME, QV)\n\n! Get ambient MASS DENSITY in Kg/m^3\n CALL INTERPOLATE_VAR ('DENS', MIDDATE, MIDTIME, DENS)\n\nC.. Get pressure in Pascals\n CALL INTERPOLATE_VAR ('PRES', MIDDATE, MIDTIME, PRES)\n\nC.. Get Heteorogeneous rates and Update Aerosol Distribution Properties\n CALL HETCHEM_RATES( TA, PRES, QV, CGRID, DENS )\n\n#ifdef sens\n DATENUM = 1 + JDATE - STARTDATE ! Set the date and hour counters used in sensitivity calls\n\nC For reaction rate sensitivities\n DO NP = 1, NPMAX\n IF ( IPT( NP ) .EQ. 5 ) THEN\n CALL CKTIME( JDATE,JTIME,NP,RXNFLAG(NP) ) ! Rxnflag set to true iff ipt=5 and time, date within bounds\n IF ( IDATE( NP, DATENUM ) .NE. 1 ) RXNFLAG( NP ) = .FALSE.\n ELSE\n RXNFLAG( NP ) = .FALSE.\n END IF\n END DO\n\n#endif sens\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Top of loop over cells\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n#ifdef hrstats\n MNEBI = 1000\n MXEBI = 0\n SUMEBI = 0.0\n#endif\n\n NCELL = 1\n\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n\n DEG_LAY = L\n DEG_ROW = R\n DEG_COL = C\n\nc..reset CALL_IRR based on cell's values\n CALL_IRR = LFLAGIRR( C,R,L )\n\nc..Load ICs\n INV_DENS = 1.0 / DENS( C,R,L )\n DO SPC = 1, NUMB_MECH_SPC\n S = CGRID_INDEX( SPC )\n IF( CONVERT_CONC( SPC ) )THEN\n YC( SPC ) = REAL( MAX( CONCMIN,\n & INV_DENS*FORWARD_CONV( SPC )*CGRID( C,R,L,S )), 8 )\n ELSE\n YC( SPC ) = REAL( MAX( CGRID( C,R,L,S ), CONCMIN), 8 )\n END IF\n END DO\n\n IF(CALL_DEG)THEN ! INITIALIZE degradation routines\n\n YCCELL = 0.0D0\n DO S = 1, MODEL_SPECIES\n YCCELL( S ) = REAL( CGRID(C,R,L,S), 8)\n END DO\n CALL INIT_DEGRADE(YCCELL,TA(C,R,L),DENS(C,R,L),PRES(C,R,L),QV(C,R,L),RJIN(NCELL,:),\n & JDATE, JTIME)\n\n#ifdef isam\n CALL SA_DEGRADE_EXTRACT( C,R,L,DENS(C,R,L) )\n#endif\n END IF\n\nc..Set physical quantities\n TEMP( NCELL ) = REAL( TA( C,R,L ), 8)\n DENSITY( NCELL ) = REAL( DENS( C,R,L ), 8)\n! PRESCELL( NCELL ) = REAL( PRES( C,R,L ), 8)\n ATMPRES( NCELL ) = PA2ATM * REAL( PRES( C,R,L ), 8)\n H2O( NCELL ) = REAL( MAX ( MAOMV * QV( C,R,L ), 0.0 ), 8)\n SEAWATER (NCELL) = MAX ( 0.0D0, ( REAL( SEAWATER_ZONE( C,R ) - SEAICE (C,R) ,8) ) )\n\nc..Get rate constants\n LSUNLIGHT = .FALSE.\n FORALL( NPH = 1:NPHOTAB ) RJIN( NCELL,NPH ) = REAL( RJ( C,R,L,NPH ), 8)\n IF( MAXVAL(RJIN) .GT. 0.0D0 ) LSUNLIGHT = .TRUE.\n\n FORALL ( NPH = 1:NHETERO )HET( NCELL,NPH ) = REAL( KHETERO( NPH,C,R,L ), 8)\n\n CALL CALC_RCONST( TEMP, ATMPRES, H2O, RJIN, HET, LSUNLIGHT, SEAWATER, RKI_SAV, NCELL )\n FORALL( NPH = 1:NRXNS )RKI( NPH ) = RKI_SAV( NCELL, NPH )\n\n#ifdef isam\n#if defined(isam) || defined(verbose_isam)\nC...For diagnosing IRR calculations in log files\n IF( CHECK_ISAM )THEN\n WRITE_CELL = .FALSE.\n IF( C .EQ. MAX(1, NCOLS/2) .AND. R .EQ. MAX(1,NROWS/2) .AND. L .EQ. 1 )THEN\n WRITE_CELL = .TRUE.\n WRITE(LOGDEV,*)'WRITE_CELL = .TRUE.'\n ELSE\n WRITE_CELL = .FALSE.\n END IF\n END IF\n#endif\n CALL SA_IRR_EXTRACT( C, R, L, DENS( C,R,L ),YC )\n#endif\n\nc..Call EBI solver\n N_EBI_IT = 0\n\n CALL HRSOLVER( JDATE, JTIME, C, R, L )\n\n#ifdef hrstats\n MXEBI = MAX( MXEBI, N_EBI_IT )\n MNEBI = MIN( MNEBI, N_EBI_IT )\n SUMEBI = SUMEBI + REAL( N_EBI_IT )\n#endif\n\n\nc..Update concentration array\n DO SPC = 1, NUMB_MECH_SPC\n S = CGRID_INDEX( SPC )\n IF( CONVERT_CONC( SPC ) )THEN\n CGRID( C,R,L,S ) = REAL( REVERSE_CONV( SPC ) * DENS( C,R,L )\n & * MAX( YC( SPC ), DCONMIN), 4)\n ELSE\n CGRID( C,R,L,S ) = REAL( MAX( YC( SPC ), DCONMIN), 4)\n END IF\n END DO\n\n IF(CALL_DEG)THEN ! WTH: update based on degrade routines\n CALL FINAL_DEGRADE(YCCELL)\n UPDATE_DEGRADED: DO SPC = 1, N_REACT\n ISP = RXTANT_MAP( SPC )\n IF( ISP .LE. 0 )CYCLE UPDATE_DEGRADED\n DO S = 1, NUMB_MECH_SPC\n IF( CGRID_INDEX( S ) .EQ. ISP )CYCLE UPDATE_DEGRADED\n END DO\n CGRID(C,R,L,ISP) = REAL( YCCELL(ISP), 4)\n END DO UPDATE_DEGRADED\n#ifdef isam\n CALL SA_DEGRADE_UPLOAD( C,R,L,DENS(C,R,L) )\n#endif\n END IF\n\n#ifdef isam\n CALL SA_IRR_UPLOAD( C, R, L, DENS( C,R,L ), YC )\n#endif\n\nc..update irrout arrays if needed\n IF ( LFLAGIRR( C,R,L ) )CALL PA_IRR_CELLENDF( C, R, L )\n#ifdef sens\n DO RXN = 1, NRXNS\n SRK( RXN ) = RKI( RXN )\n IF ( HIGH ) THEN\n IF ( ORDER1 (RXN ) ) THEN\n SRK2( RXN ) = 0.0\n ELSE\n SRK2( RXN ) = RKI( RXN )\n END IF\n END IF\n END DO\n\n\n CALL SOLVE_DDM3D_CHEM( C,R,L,CHEMSTEP )\n#endif\n\n END DO\n END DO\n END DO\n\n! Update Aerosol Surface Area\n CALL HETCHEM_UPDATE_AERO( CGRID )\n\n#ifdef hrstats\n AVGEBI = SUMEBI / REAL( NCOLS * NROWS * NLAYS )\n WRITE( ISTFL, 94040 ) JDATE, JTIME, MNEBI, AVGEBI, MXEBI\n#endif\n\n RETURN\n\nC*********************** FORMAT STATEMENTS ****************************\n\n92000 FORMAT( / 10X, 'Euler Backward Iterative Parameters -'\n & / 10X, 'Chemistry Integration Time Interval (min):', F12.4,\n & / 10X, 'EBI maximum time step (min): ', F12.4 )\n\n92020 FORMAT( //10X, 'Species convergence tolerances:' )\n\n92040 FORMAT( 10X, A16, 2X, 1PE12.2 )\n\n92060 FORMAT( / 10X, 'Emissions Processing in Chemistry ...'\n & / 10X, 'Number of Emissions Layers: ', I3\n & / 10X, 'out of total Number of Model Layers:', I3 )\n\n\n94020 FORMAT( 'DATE TIME ', 'MNEBI AVEBI MXEBI' )\n\n94040 FORMAT( I7, 1X, I6, 1X, 3( I5, 1X ) )\n END\n" }, { "path": "CCTM/src/gas/ebi_saprc07tc_ae6_aq/hrg1.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\n SUBROUTINE HRG1( DTC )\n\nC**********************************************************************\nC\nC FUNCTION: To solve for the concentration of NO2, NO, O3, and O3P\nC algebraically.\nC\nC PRECONDITIONS: For the SAPRC07TC_AE6_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 8, 2022\nC\nC 18 Jul 14 B.Hutzell: revised to use real(8) variables\nC 01 Jun 18 B.Hutzell: replaced steady solution for O1D with backward Euler\nC approximation. To match conditions where the initial\nC concentration cannot be neglected.\nC**********************************************************************\n USE HRDATA\n\n IMPLICIT NONE\n\n\nC..INCLUDES: None\n\n\nC..ARGUMENTS:\n REAL( 8 ), INTENT( IN ) :: DTC ! Time step\n\n\nC..PARAMETERS: None\n\n\nC..EXTERNAL FUNCTIONS: NONE\n\n\nC..SAVED LOCAL VARIABLES:\n! CHARACTER( 16 ), SAVE :: PNAME = 'HRG1' ! Prgram Name\n\n\nC..SCRATCH LOCAL VARIABLES:\n REAL( 8 ) :: O1D_S ! sum of O1D loss frequencies\n REAL( 8 ) :: O3P_S ! stoich coeff for O3P from O1D\n\n\n\n REAL( 8 ) :: R1_2 ! production term for NO from NO2\n REAL( 8 ) :: R2_1 ! production term for NO2 from NO\n REAL( 8 ) :: P1, P2, P3, P12 ! production terms for NO, NO2, O3, & O3P\n REAL( 8 ) :: L1, L2, L3, L12 ! loss terms for NO, NO2, O3, O3P\n REAL( 8 ) :: L1_INV, L2_INV,\n & L3_INV, L12_INV ! inverse of loss terms\n\n REAL( 8 ) :: T1, T2, T3, T4, T5 ! intermerdiate terms\n REAL( 8 ) :: F1, F2, F3 ! intermerdiate terms\n REAL( 8 ) :: A, B, C ! coefficients for quadratic equation\n REAL( 8 ) :: Q, XX, S1, S2 ! intermerdiate terms\n\n REAL( 8 ) :: RK1, RK2, RK3 ! rate constants\n\n REAL( 8 ) :: PO3 ! temp variable for O3\n\nC**********************************************************************\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc O1D Section\nc 1) sum of the rate constants for all O1D loss reactions\nc 2) get fractional yield of O3P from O1D loss\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n O1D_S = RKI( 20 ) ! O1D=0.2000D+01*OH\n & + RKI( 21 ) ! O1D=O3P\n\n O3P_S = RKI( 21 ) ! O1D=O3P\n\n O3P_S = O3P_S / O1D_S\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc NO Section\nc R1_2 = production of NO from NO2 ( rates of form k[NO2][x] )\nc except NO2+NO3=NO+NO2 (it is treated as if it were NO3=NO )\nc P1 = remaining NO production terms\nc L1 = loss of NO (except rxns producing NO2 - they are in R2_1)\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n R1_2 = RKI( 1 ) ! NO2=NO+O3P\n & + RKI( 5 ) * YC ( O3P ) ! NO2+O3P=NO\n R1_2 = R1_2 * DTC\n\n\n P1 = RXRAT( 15 ) ! NO2+NO3=NO+NO2\n & + RXRAT( 16 ) ! NO3=NO\n & + RXRAT( 23 ) ! HONO=NO+OH\n & + RXRAT( 592 ) ! CLNO=NO+CL\n P1 = YC0( NO ) + P1 * DTC\n\n\n L1 = RKI( 22 ) * YC ( OH ) ! NO+OH=HONO\n & + RKI( 57 ) * YC ( RO2XC ) ! NO+RO2XC=\n & + RKI( 591 ) * YC ( CL ) ! NO+CL=CLNO\n L1 = 1.0D0 + L1 * DTC\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc NO2 Section\nc R2_1 = production of NO2 from NO ( rates of form k[NO][x] )\nc a) NO+O3=NO2 not included\nc b) NO+NO3=2NO2 ( 1/2 of NO2 formation rate included )\nc c) NO3+NO2=NO+NO2 is not included for NO2\nc P2 = remaining NO2 production terms \nc a) NO+O3=NO2 not included\nc b) NO+NO3=2NO2 (1/2 of NO2 formation rate included )\nc L2 = loss of NO2 (except rxns producing NO2 - they are in R1_2)\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n R2_1 = RKI( 4 ) * YC ( O3P ) ! NO+O3P=NO2\n & + RKI( 9 ) * YC ( NO3 ) ! NO+NO3=0.2000D+...\n & + 2.0000D+00 * RKI( 10 ) * YC ( NO ) ! NO+NO=0.2000D+01*NO2\n & + RKI( 31 ) * YC ( HO2 ) ! NO+HO2=NO2+OH\n & + RKI( 46 ) * YC ( MEO2 ) ! NO+MEO2=NO2+HCHO+HO2\n & + RKI( 52 ) * YC ( RO2C ) ! NO+RO2C=NO2\n & + RKI( 66 ) * YC ( MECO3 ) ! NO+MECO3=NO2+CO2+...\n & + RKI( 76 ) * YC ( RCO3 ) ! NO+RCO3=NO2+RO2C+...\n & + RKI( 87 ) * YC ( BZCO3 ) ! NO+BZCO3=NO2+CO2+...\n & + RKI( 99 ) * YC ( MACO3 ) ! NO+MACO3=NO2+CO2+...\n & + RKI( 283 ) * YC ( HCOCO3 ) ! NO+HCOCO3=NO2+CO+...\n & + RKI( 548 ) * YC ( IEPOXOO ) ! NO+IEPOXOO=NO2+...\n & + RKI( 601 ) * YC ( CLO ) ! NO+CLO=NO2+CL\n R2_1 = R2_1 * DTC\n\n\n P2 = RXRAT( 9 ) ! NO+NO3=0.2000D+01*NO2\n & + RXRAT( 12 ) ! N2O5=NO2+NO3\n & + RXRAT( 17 ) ! NO3=NO2+O3P\n & + RXRAT( 24 ) ! OH+HONO=NO2\n & + RXRAT( 26 ) ! OH+NO3=NO2+HO2\n & + RXRAT( 28 ) ! HNO3=NO2+OH\n & + RXRAT( 33 ) ! HNO4=NO2+HO2\n & + 6.1000D-01 * RXRAT( 34 ) ! HNO4=0.6100D+00*NO2+...\n & + RXRAT( 35 ) ! HNO4+OH=NO2\n & + 8.0000D-01 * RXRAT( 39 ) ! NO3+HO2=0.8000D+...\n & + 2.0000D+00 * RXRAT( 40 ) ! NO3+NO3=0.2000D+01*NO2\n & + RXRAT( 49 ) ! MEO2+NO3=NO2+HO2+HCHO\n & + RXRAT( 54 ) ! RO2C+NO3=NO2\n & + RXRAT( 59 ) ! RO2XC+NO3=NO2\n & + RXRAT( 64 ) ! PAN=NO2+MECO3\n & + 6.0000D-01 * RXRAT( 65 ) ! PAN=0.6000D+00*NO2+...\n & + RXRAT( 68 ) ! MECO3+NO3=NO2+CO2+MEO2\n & + RXRAT( 74 ) ! PAN2=NO2+RCO3\n & + 6.0000D-01 * RXRAT( 75 ) ! PAN2=0.6000D+00*NO2+...\n & + RXRAT( 78 ) ! RCO3+NO3=NO2+RO2C+...\n & + RXRAT( 85 ) ! PBZN=NO2+BZCO3\n & + 6.0000D-01 * RXRAT( 86 ) ! PBZN=0.6000D+00*NO2+...\n & + RXRAT( 89 ) ! BZCO3+NO3=NO2+CO2+BZO+...\n & + RXRAT( 97 ) ! MAPAN=NO2+MACO3\n & + 6.0000D-01 * RXRAT( 98 ) ! MAPAN=0.6000D+00*NO2+...\n & + RXRAT( 101 ) ! MACO3+NO3=NO2+CO2+...\n & + RXRAT( 134 ) ! NO+xNO2=NO2+NO\n & + RXRAT( 136 ) ! xNO2+NO3=NO2+NO3\n & + 5.0000D-01 * RXRAT( 137 ) ! xNO2+MEO2=0.5000D+...\n & + 5.0000D-01 * RXRAT( 138 ) ! xNO2+RO2C=0.5000D+...\n & + 5.0000D-01 * RXRAT( 139 ) ! xNO2+RO2XC=0.5000D+...\n & + RXRAT( 140 ) ! xNO2+MECO3=NO2+MECO3\n & + RXRAT( 141 ) ! xNO2+RCO3=NO2+RCO3\n & + RXRAT( 142 ) ! xNO2+BZCO3=NO2+BZCO3\n & + RXRAT( 143 ) ! xNO2+MACO3=NO2+MACO3\n & + 1.9000D-02 * RXRAT( 269 ) ! RNO3+OH=0.1900D-...\n & + RXRAT( 270 ) ! RNO3=NO2+0.5540D+...\n & + RXRAT( 595 ) ! CLONO=NO2+CL\n & + RXRAT( 596 ) ! CLNO2=NO2+CL\n & + RXRAT( 600 ) ! CL+NO3=NO2+CLO\n & + RXRAT( 603 ) ! CLONO2=NO2+CLO\n & + RXRAT( 605 ) ! CLONO2=NO2+CLO\n & + 3.8000D-02 * RXRAT( 618 ) ! RNO3+CL=0.3800D-...\n P2 = YC0( NO2 ) + P2 * DTC\n\n\n L2 = RKI( 6 ) * YC ( O3P ) ! NO2+O3P=NO3\n & + RKI( 8 ) * YC ( O3 ) ! NO2+O3=NO3\n & + RKI( 11 ) * YC ( NO3 ) ! NO2+NO3=N2O5\n & + RKI( 25 ) * YC ( OH ) ! NO2+OH=HNO3\n & + RKI( 32 ) * YC ( HO2 ) ! NO2+HO2=HNO4\n & + RKI( 63 ) * YC ( MECO3 ) ! NO2+MECO3=PAN\n & + RKI( 73 ) * YC ( RCO3 ) ! NO2+RCO3=PAN2\n & + RKI( 84 ) * YC ( BZCO3 ) ! NO2+BZCO3=PBZN\n & + RKI( 96 ) * YC ( MACO3 ) ! NO2+MACO3=MAPAN\n & + RKI( 109 ) * YC ( TBUO ) ! NO2+TBUO=RNO3\n & + RKI( 111 ) * YC ( BZO ) ! NO2+BZO=NPHE\n & + RKI( 284 ) * YC ( HCOCO3 ) ! NO2+HCOCO3=HO2+...\n & + RKI( 593 ) * YC ( CL ) ! NO2+CL=CLONO\n & + RKI( 594 ) * YC ( CL ) ! NO2+CL=CLNO2\n & + RKI( 602 ) * YC ( CLO ) ! NO2+CLO=CLONO2\n & + RKI( 713 ) ! NO2=0.5000D+...\n L2 = 1.0D0 + L2 * DTC\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc O3 Section\nc P3 = production of O3 except O+O2=O3\nc L3 = loss terms for O3 except NO+O3=NO2\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n P3 = 1.5000D-01 * RXRAT( 67 ) ! MECO3+HO2=0.1500D+...\n & + 1.5000D-01 * RXRAT( 77 ) ! RCO3+HO2=0.1500D+...\n & + 1.5000D-01 * RXRAT( 88 ) ! BZCO3+HO2=0.1500D+...\n & + 1.5000D-01 * RXRAT( 100 ) ! MACO3+HO2=0.1500D+...\n & + 1.5000D-01 * RXRAT( 285 ) ! HCOCO3+HO2=0.1500D+...\n P3 = YC0( O3 ) + P3 * DTC\n\n\n L3 = RKI( 3 ) * YC ( O3P ) ! O3+O3P=\n & + RKI( 8 ) * YC ( NO2 ) ! O3+NO2=NO3\n & + RKI( 18 ) ! O3=O1D\n & + RKI( 19 ) ! O3=O3P\n & + RKI( 30 ) * YC ( OH ) ! O3+OH=HO2\n & + RKI( 36 ) * YC ( HO2 ) ! O3+HO2=OH\n & + RKI( 247 ) * YC ( AFG1 ) ! O3+AFG1=0.8260D+...\n & + RKI( 250 ) * YC ( AFG2 ) ! O3+AFG2=0.8260D+...\n & + RKI( 253 ) * YC ( AFG3 ) ! O3+AFG3=0.4710D+...\n & + RKI( 255 ) * YC ( MACR ) ! O3+MACR=0.2080D+...\n & + RKI( 260 ) * YC ( MVK ) ! O3+MVK=0.1640D+...\n & + RKI( 264 ) * YC ( IPRD ) ! O3+IPRD=0.2850D+...\n & + RKI( 275 ) * YC ( ACROLEIN ) ! O3+ACROLEIN=...\n & + RKI( 528 ) * YC ( ETHENE ) ! O3+ETHENE=...\n & + RKI( 532 ) * YC ( PROPENE ) ! O3+PROPENE=...\n & + RKI( 536 ) * YC ( BUTADIENE13 ) ! O3+BUTADIENE13=...\n & + RKI( 540 ) * YC ( ISOPRENE ) ! O3+ISOPRENE=...\n & + RKI( 553 ) * YC ( APIN ) ! O3+APIN=0.9000D-...\n & + RKI( 557 ) * YC ( ACETYLENE ) ! O3+ACETYLENE=...\n & + RKI( 572 ) * YC ( OLE1 ) ! O3+OLE1=0.9500D-...\n & + RKI( 576 ) * YC ( OLE2 ) ! O3+OLE2=0.9400D-...\n & + RKI( 583 ) * YC ( TERP ) ! O3+TERP=0.7800D-...\n & + RKI( 587 ) * YC ( SESQ ) ! O3+SESQ=0.7800D-...\n & + RKI( 599 ) * YC ( CL ) ! O3+CL=CLO\n & + RKI( 721 ) ! O3=\n L3 = 1.0D0 + L3 * DTC\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc O3P Section \nc P12 = production of O3P except NO2+hv=O3P (J1)\nc L12 = loss terms\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n P12 = RXRAT( 17 ) ! NO3=O3P+NO2\n & + O3P_S * RXRAT( 18 ) ! O3=O1D\n & + RXRAT( 19 ) ! O3=O3P\n P12 = YC0( O3P ) + P12 * DTC\n\n\n L12 = RKI( 2 ) ! O3P=O3\n & + RKI( 3 ) * YC ( O3 ) ! O3P+O3=\n & + RKI( 4 ) * YC ( NO ) ! O3P+NO=NO2\n & + RKI( 5 ) * YC ( NO2 ) ! O3P+NO2=NO\n & + RKI( 6 ) * YC ( NO2 ) ! O3P+NO2=NO3\n & + RKI( 257 ) * YC ( MACR ) ! O3P+MACR=RCHO\n & + RKI( 261 ) * YC ( MVK ) ! O3P+MVK=0.4500D+...\n & + RKI( 277 ) * YC ( ACROLEIN ) ! O3P+ACROLEIN=RCHO\n & + RKI( 530 ) * YC ( ETHENE ) ! O3P+ETHENE=0.8000D+...\n & + RKI( 534 ) * YC ( PROPENE ) ! O3P+PROPENE=0.4500D+...\n & + RKI( 538 ) * YC ( BUTADIENE13 ) ! O3P+BUTADIENE13=...\n & + RKI( 542 ) * YC ( ISOPRENE ) ! O3P+ISOPRENE=0.2500D+...\n & + RKI( 555 ) * YC ( APIN ) ! O3P+APIN=PRD2+TRPRXN\n & + RKI( 574 ) * YC ( OLE1 ) ! O3P+OLE1=0.4500D+...\n & + RKI( 578 ) * YC ( OLE2 ) ! O3P+OLE2=0.7900D-...\n & + RKI( 585 ) * YC ( TERP ) ! O3P+TERP=0.2370D+...\n & + RKI( 589 ) * YC ( SESQ ) ! O3P+SESQ=0.2370D+...\n L12 = 1.0D0 + L12 * DTC\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Solution section\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\nc..compute reciprocal of loss terms\n L1_INV = 1.0D0 / L1\n L2_INV = 1.0D0 / L2\n L3_INV = 1.0D0 / L3\n L12_INV = 1.0D0 / L12\n\nc..compute specific k*delta t terms\n RK1 = RKI( 1 ) * DTC ! J1 (NO2+hv=NO+O3P)\n RK2 = RKI( 2 ) * DTC ! J2 (O3P+O2=O3)\n RK3 = RKI( 7 ) * DTC ! k1_3 (NO+O3=NO2)\n\nc..compute terms that are used to calulate a,b & c\n T1 = RK1 * L2_INV ! J1 / ( 1.0 + Lno2 * dt )\n T2 = R1_2 * L2_INV ! r1,2 / ( 1.0 + Lno2 * dt)\n T3 = R2_1 * L1_INV ! r2,1 / ( 1.0 + Lno * dt)\n T4 = RK2 * L12_INV ! J2 / ( 1.0 + Lo3p * dt )\n T5 = T3 * P1 - T2 * P2 ! T3 * Pno - T2 * Pno2\n\n F1 = 1.0D0 + T2 + T3 ! factor in calculating a & b\n F2 = T1 * T4 ! factor in calculating a & b\n F3 = L3 * L1 + RK3 * P1 ! (1 + Lo3 * dt) (1 + lno * dt )\n ! + k1,3 * dt * Pno\n\n PO3 = P3 + P12 * T4\n\n A = RK3 * ( F1 - F2 )\n\n B = F1 * F3 + RK3 * ( F2 * ( P2 - P1 ) + PO3 + T5 )\n\n C = RK3 * P1 * ( PO3 + P2 * F2 ) + F3 * T5\n\n Q = -0.5D0 * ( B + SIGN( 1.0D0, B ) * SQRT( B * B - 4.0D0 * A * C ) )\n\n XX = MAX( Q / A , C / Q )\n\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Species solutions\nc [NO] = ( P1 + x ) / ( 1 + L1 )\nc [NO2] = ( P2 - x ) / ( 1 + L2 )\nc [O3 ] = ( P3 + Ko3p->O3 ) / (1 + K1,3 * [NO] + L3 )\nc [O3P] = ( P12 + J1 * [NO2] ) / ( 1 + L12 )\nc [O1D] = ( yc0(o1d) + Ko3->o1d * [O3] *dtc) / ( 1 + O1D_S*dtc )\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n YCP( NO ) = MAX( 0.0D0, ( P1 + XX ) * L1_INV )\n\n YCP( NO2 ) = MAX( 0.0D0, ( P2 - XX ) * L2_INV )\n\n S1 = P12 + RK1 * YCP( NO2 )\n\n S2 = T4 * S1\n\n YCP( O3 ) = ( P3 + S2 ) / ( L3 + RK3 * YCP( NO ) )\n\n YCP( O3P ) = S1 * L12_INV\n\n YCP( O1D ) = ( YC0( O1D ) + RKI( 18 ) * YCP( O3 ) * DTC ) \n & / ( 1.0D0 + O1D_S * DTC )\n\n RETURN\n\n END\n\n\n" }, { "path": "CCTM/src/gas/ebi_saprc07tc_ae6_aq/hrg2.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\n SUBROUTINE HRG2( DTC )\nC**********************************************************************\nC\nC FUNCTION: To solve for the concentration of HO, HO2, HONO, and\nC HNO4 alebraically.\nC\nC PRECONDITIONS: For the SAPRC07TC_AE6_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 8, 2022\nC\nC 18 Jul 14 B.Hutzell: revised to use real(8) variables\nC**********************************************************************\n USE HRDATA\n\n IMPLICIT NONE\n\n\nC..INCLUDES: None\n\n\nC..ARGUMENTS:\n REAL( 8 ), INTENT( IN ) :: DTC ! Time step\n\nC..PARAMETERS: None\n\n\nC..EXTERNAL FUNCTIONS: NONE\n\n\nC..SAVED LOCAL VARIABLES:\n! CHARACTER( 16 ), SAVE :: PNAME = 'HRG2' ! Program name\n\n\nC..SCRATCH LOCAL VARIABLES:\n REAL( 8 ) :: O1D_S ! sum of O1D loss frequencies\n REAL( 8 ) :: OH_S ! stoich coeff for OH from O1D+H2O or H2\n REAL( 8 ) :: HO2_S ! stoich coeff for HO2 from O1D+H2 rxn\n REAL( 8 ) :: XOH_S ! stoich coeff for OH & HONO from NO2EX loss rxn\n REAL( 8 ) :: R4_19 ! production of OH from HONO\n REAL( 8 ) :: R19_4 ! production of HONO from OH\n REAL( 8 ) :: R4_5 ! production of OH from HO2\n REAL( 8 ) :: R5_4 ! production of HO2 from OH\n REAL( 8 ) :: R5_21 ! production of HO2 from HNO4\n REAL( 8 ) :: R21_5 ! production of HNO4 from HO2\n REAL( 8 ) :: P4, P5, P19, P21 ! species production form other paths\n REAL( 8 ) :: L4, L5, L19, L21 ! species loss terms\n\n REAL( 8 ) :: A, B, C ! coeffs of quadratic eq. for HO2\n REAL( 8 ) :: Q ! intermediate term\n\n REAL( 8 ) :: T1, T2, T3 ! intermediate terms\n\n REAL( 8 ) :: L21_INV ! reciprocal of HNO4 loss term\n\nC**********************************************************************\n\n\nc..stoichiometric coefficient for production of HOX from O3 via O1D\n O1D_S = RKI( 20 ) ! O1D=0.2000D+01*OH\n & + RKI( 21 ) ! O1D=O3P\n\n OH_S = 2.0000D+00 * RKI( 20 ) ! O1D=0.2000D+01*OH\n\n OH_S = OH_S / O1D_S\n\n\nc..Production of HO from HO2 (r4,5 terms )\n R4_5 = RKI( 31 ) * YC ( NO ) ! HO2+NO=OH+NO2\n & + RKI( 36 ) * YC ( O3 ) ! HO2+O3=OH\n & + 8.0000D-01 * RKI( 39 ) * YC ( NO3 ) ! HO2+NO3=0.8000D+...\n & + 4.4000D-01 * RKI( 67 ) * YC ( MECO3 ) ! HO2+MECO3=...\n & + 4.4000D-01 * RKI( 77 ) * YC ( RCO3 ) ! HO2+RCO3=0.4400D+...\n & + 4.4000D-01 * RKI( 88 ) * YC ( BZCO3 ) ! HO2+BZCO3=...\n & + 4.4000D-01 * RKI( 100 ) * YC ( MACO3 ) ! HO2+MACO3=...\n & + 4.4000D-01 * RKI( 285 ) * YC ( HCOCO3 ) ! HO2+HCOCO3=...\n & + 1.7500D-01 * RKI( 547 ) * YC ( IEPOXOO ) ! HO2+IEPOXOO=...\n & + RKI( 598 ) * YC ( CL ) ! HO2+CL=OH+CLO\n\n R4_5 = R4_5 * DTC\n\nc..Production of HO from HONO (r4,19 terms )\n R4_19 = RKI( 23 ) ! HONO=OH+NO\n\n R4_19 = R4_19 * DTC\n\nc..Remaining HO production\n P4 = OH_S * RXRAT( 18 ) ! O1D=0.2000D+01*OH\n & + RXRAT( 28 ) ! HNO3=OH+NO2\n & + 3.9000D-01 * RXRAT( 34 ) ! HNO4=0.3900D+00*OH+0.6100D+...\n & + 2.0000D+00 * RXRAT( 41 ) ! HO2H=0.2000D+01*OH\n & + RXRAT( 124 ) ! xOH+NO=OH+NO\n & + RXRAT( 126 ) ! xOH+NO3=OH+NO3\n & + 5.0000D-01 * RXRAT( 127 ) ! xOH+MEO2=0.5000D+00*OH+MEO2\n & + 5.0000D-01 * RXRAT( 128 ) ! xOH+RO2C=0.5000D+00*OH+RO2C\n & + 5.0000D-01 * RXRAT( 129 ) ! xOH+RO2XC=0.5000D+00*OH+RO2XC\n & + RXRAT( 130 ) ! xOH+MECO3=OH+MECO3\n & + RXRAT( 131 ) ! xOH+RCO3=OH+RCO3\n & + RXRAT( 132 ) ! xOH+BZCO3=OH+BZCO3\n & + RXRAT( 133 ) ! xOH+MACO3=OH+MACO3\n & + RXRAT( 223 ) ! COOH=OH+HO2+HCHO\n & + RXRAT( 225 ) ! ROOH=OH+HO2+RCHO\n & + RXRAT( 227 ) ! R6OOH=OH+0.1420D+00*HO2+...\n & + RXRAT( 229 ) ! RAOOH=OH+HO2+0.5000D+...\n & + 8.2600D-01 * RXRAT( 247 ) ! AFG1+O3=0.8260D+00*OH+...\n & + 8.2600D-01 * RXRAT( 250 ) ! AFG2+O3=0.8260D+00*OH+...\n & + 4.7100D-01 * RXRAT( 253 ) ! AFG3+O3=0.4710D+00*OH+...\n & + 2.0800D-01 * RXRAT( 255 ) ! MACR+O3=0.2080D+00*OH+...\n & + 3.3000D-01 * RXRAT( 258 ) ! MACR=0.3300D+00*OH+0.6700D+...\n & + 1.6400D-01 * RXRAT( 260 ) ! MVK+O3=0.1640D+00*OH+...\n & + 2.8500D-01 * RXRAT( 264 ) ! IPRD+O3=0.2850D+00*OH+...\n & + 3.3000D-01 * RXRAT( 275 ) ! ACROLEIN+O3=0.3300D+00*OH+...\n & + 1.7800D-01 * RXRAT( 278 ) ! ACROLEIN=0.1780D+00*OH+...\n & + RXRAT( 280 ) ! CCOOOH=OH+CO2+MEO2\n & + RXRAT( 282 ) ! RCOOOH=OH+xCCHO+yROOH+CO2+xHO2\n & + 1.6000D-01 * RXRAT( 528 ) ! ETHENE+O3=0.1600D+00*OH+...\n & + 3.5000D-01 * RXRAT( 532 ) ! PROPENE+O3=0.3500D+00*OH+...\n & + 8.0000D-02 * RXRAT( 536 ) ! BUTADIENE13+O3=0.8000D-...\n & + 2.6600D-01 * RXRAT( 540 ) ! ISOPRENE+O3=0.2660D+00*OH+...\n & + RXRAT( 545 ) ! ISOPOOH=OH+0.9100D+00*HO2+...\n & + 9.5000D-01 * RXRAT( 547 ) ! HO2+IEPOXOO=0.1125D+01*OH+...\n & + 1.2500D-01 * RXRAT( 548 ) ! IEPOXOO+NO=0.1250D+00*OH+...\n & + 6.3000D-02 * RXRAT( 549 ) ! IEPOXOO+MEO2=0.6300D-01*OH+...\n & + 6.3000D-02 * RXRAT( 550 ) ! IEPOXOO+RO2C=0.6300D-01*OH+...\n & + 1.2500D-01 * RXRAT( 551 ) ! IEPOXOO+MECO3=0.1250D+...\n & + 7.2800D-01 * RXRAT( 553 ) ! APIN+O3=0.7280D+00*OH+...\n & + 5.0000D-01 * RXRAT( 557 ) ! ACETYLENE+O3=0.5000D+00*OH+...\n & + 1.2800D-01 * RXRAT( 572 ) ! OLE1+O3=0.1280D+00*OH+...\n & + 4.4300D-01 * RXRAT( 576 ) ! OLE2+O3=0.4430D+00*OH+...\n & + 4.9900D-01 * RXRAT( 583 ) ! TERP+O3=0.4990D+00*OH+...\n & + 4.9900D-01 * RXRAT( 587 ) ! SESQ+O3=0.4990D+00*OH+...\n & + RXRAT( 608 ) ! HOCL=OH+CL\n & + 4.1400D-01 * RXRAT( 624 ) ! ROOH+CL=0.4140D+00*OH+HCL+...\n & + 1.4500D-01 * RXRAT( 625 ) ! R6OOH+CL=0.1450D+00*OH+HCL+...\n & + 1.3900D-01 * RXRAT( 626 ) ! RAOOH+CL=0.1390D+00*OH+...\n\n P4 = YC0( OH ) + P4 * DTC\n\nc..Production of HO2 from OH ( r5,4 terms )\n R5_4 = RKI( 26 ) * YC ( NO3 ) ! OH+NO3=HO2+NO2\n & + RKI( 29 ) * YC ( CO ) ! OH+CO=HO2+CO2\n & + RKI( 30 ) * YC ( O3 ) ! OH+O3=HO2\n & + RKI( 42 ) * YC ( HO2H ) ! OH+HO2H=HO2\n & + RKI( 44 ) * YC ( SO2 ) ! OH+SO2=HO2+SULF+...\n & + RKI( 45 ) ! OH=HO2\n & + RKI( 206 ) * YC ( HCHO ) ! OH+HCHO=HO2+CO\n & + RKI( 218 ) * YC ( MEOH ) ! OH+MEOH=HO2+HCHO\n & + RKI( 219 ) * YC ( HCOOH ) ! OH+HCOOH=HO2+CO2\n & + 1.4800D-01 * RKI( 228 ) * YC ( RAOOH ) ! OH+RAOOH=0.1480D+...\n & + 7.0000D-01 * RKI( 232 ) * YC ( GLY ) ! OH+GLY=0.7000D+...\n & + 4.7200D-01 * RKI( 267 ) * YC ( PRD2 ) ! OH+PRD2=0.4720D+...\n & + 1.8900D-01 * RKI( 269 ) * YC ( RNO3 ) ! OH+RNO3=0.1890D+...\n & + 3.0000D-01 * RKI( 556 ) * YC ( ACETYLENE ) ! OH+ACETYLENE=...\n & + 5.7000D-01 * RKI( 558 ) * YC ( BENZENE ) ! OH+BENZENE=...\n & + 1.8100D-01 * RKI( 559 ) * YC ( TOLUENE ) ! OH+TOLUENE=...\n & + 1.5900D-01 * RKI( 560 ) * YC ( MXYL ) ! OH+MXYL=0.1590D+...\n & + 1.6100D-01 * RKI( 561 ) * YC ( OXYL ) ! OH+OXYL=0.1610D+...\n & + 1.5900D-01 * RKI( 562 ) * YC ( PXYL ) ! OH+PXYL=0.1590D+...\n & + 2.2000D-02 * RKI( 563 ) * YC ( TMBENZ124 ) ! OH+TMBENZ124=...\n & + 9.5000D-01 * RKI( 564 ) * YC ( ETOH ) ! OH+ETOH=0.9500D+...\n & + 1.2300D-01 * RKI( 579 ) * YC ( ARO1 ) ! OH+ARO1=0.1230D+...\n & + 7.7000D-02 * RKI( 580 ) * YC ( ARO2MN ) ! OH+ARO2MN=...\n & + 7.7000D-02 * RKI( 581 ) * YC ( NAPHTHAL ) ! OH+NAPHTHAL=...\n\n R5_4 = R5_4 * DTC\n\nc..Production of HO2 from HNO4 (r5,21 term )\n R5_21 = RKI( 33 ) ! HNO4=HO2+NO2\n & + 6.1000D-01 * RKI( 34 ) ! HNO4=0.6100D+...\n\n R5_21 = R5_21 * DTC\n\nc..Remaining HO2 production terms\n P5 = RXRAT( 46 ) ! MEO2+NO=HO2+HCHO+NO2\n & + RXRAT( 49 ) ! MEO2+NO3=HO2+HCHO+NO2\n & + 2.0000D+00 * RXRAT( 51 ) ! MEO2+MEO2=0.2000D+01*HO2+...\n & + 5.0000D-01 * RXRAT( 55 ) ! RO2C+MEO2=0.5000D+00*HO2+...\n & + 5.0000D-01 * RXRAT( 60 ) ! RO2XC+MEO2=0.5000D+00*HO2+...\n & + 9.0000D-01 * RXRAT( 69 ) ! MECO3+MEO2=0.9000D+00*HO2+...\n & + RXRAT( 79 ) ! RCO3+MEO2=HO2+HCHO+RO2C+...\n & + RXRAT( 90 ) ! BZCO3+MEO2=HO2+HCHO+RO2C+...\n & + RXRAT( 102 ) ! MACO3+MEO2=HO2+0.2000D+...\n & + RXRAT( 114 ) ! xHO2+NO=HO2+NO\n & + RXRAT( 116 ) ! xHO2+NO3=HO2+NO3\n & + 5.0000D-01 * RXRAT( 117 ) ! xHO2+MEO2=0.5000D+00*HO2+MEO2\n & + 5.0000D-01 * RXRAT( 118 ) ! xHO2+RO2C=0.5000D+00*HO2+RO2C\n & + 5.0000D-01 * RXRAT( 119 ) ! xHO2+RO2XC=0.5000D+00*HO2+...\n & + RXRAT( 120 ) ! xHO2+MECO3=HO2+MECO3\n & + RXRAT( 121 ) ! xHO2+RCO3=HO2+RCO3\n & + RXRAT( 122 ) ! xHO2+BZCO3=HO2+BZCO3\n & + RXRAT( 123 ) ! xHO2+MACO3=HO2+MACO3\n & + 2.0000D+00 * RXRAT( 204 ) ! HCHO=0.2000D+01*HO2+CO\n & + RXRAT( 207 ) ! HCHO+NO3=HO2+HNO3+CO\n & + RXRAT( 209 ) ! CCHO=HO2+CO+MEO2\n & + RXRAT( 212 ) ! RCHO=HO2+xHO2+yROOH+xCCHO+...\n & + RXRAT( 223 ) ! COOH=HO2+OH+HCHO\n & + RXRAT( 225 ) ! ROOH=HO2+OH+RCHO\n & + 1.4200D-01 * RXRAT( 227 ) ! R6OOH=0.1420D+00*HO2+OH+...\n & + RXRAT( 229 ) ! RAOOH=HO2+OH+0.5000D+...\n & + 2.0000D+00 * RXRAT( 230 ) ! GLY=0.2000D+01*HO2+0.2000D+...\n & + 7.0000D-01 * RXRAT( 233 ) ! GLY+NO3=0.7000D+00*HO2+...\n & + RXRAT( 234 ) ! MGLY=HO2+CO+MECO3\n & + 5.2200D-01 * RXRAT( 247 ) ! AFG1+O3=0.5220D+00*HO2+...\n & + 1.0230D+00 * RXRAT( 248 ) ! AFG1=0.1023D+01*HO2+...\n & + 5.2200D-01 * RXRAT( 250 ) ! AFG2+O3=0.5220D+00*HO2+...\n & + 5.5400D-01 * RXRAT( 253 ) ! AFG3+O3=0.5540D+00*HO2+...\n & + 1.0800D-01 * RXRAT( 255 ) ! MACR+O3=0.1080D+00*HO2+...\n & + 6.7000D-01 * RXRAT( 258 ) ! MACR=0.6700D+00*HO2+...\n & + 6.4000D-02 * RXRAT( 260 ) ! MVK+O3=0.6400D-01*HO2+...\n & + 4.0000D-01 * RXRAT( 264 ) ! IPRD+O3=0.4000D+00*HO2+...\n & + 1.2330D+00 * RXRAT( 266 ) ! IPRD=0.1233D+01*HO2+...\n & + 3.4400D-01 * RXRAT( 270 ) ! RNO3=0.3440D+00*HO2+...\n & + 2.0000D+00 * RXRAT( 272 ) ! HOCCHO=0.2000D+01*HO2+CO+HCHO\n & + 8.3000D-01 * RXRAT( 275 ) ! ACROLEIN+O3=0.8300D+00*HO2+...\n & + 1.0660D+00 * RXRAT( 278 ) ! ACROLEIN=0.1066D+01*HO2+...\n & + RXRAT( 283 ) ! HCOCO3+NO=HO2+CO+CO2+NO2\n & + RXRAT( 284 ) ! HCOCO3+NO2=HO2+CO+CO2+NO3\n & + RXRAT( 498 ) ! zRNO3+NO3=HO2+PRD2+NO3\n & + 5.0000D-01 * RXRAT( 499 ) ! zRNO3+MEO2=0.5000D+00*HO2+...\n & + 5.0000D-01 * RXRAT( 500 ) ! zRNO3+RO2C=0.5000D+00*HO2+...\n & + 5.0000D-01 * RXRAT( 501 ) ! zRNO3+RO2XC=0.5000D+00*HO2+...\n & + RXRAT( 502 ) ! zRNO3+MECO3=HO2+PRD2+MECO3\n & + RXRAT( 503 ) ! zRNO3+RCO3=HO2+PRD2+RCO3\n & + RXRAT( 504 ) ! zRNO3+BZCO3=HO2+PRD2+BZCO3\n & + RXRAT( 505 ) ! zRNO3+MACO3=HO2+PRD2+MACO3\n & + 1.6000D-01 * RXRAT( 528 ) ! ETHENE+O3=0.1600D+00*HO2+...\n & + 8.0000D-01 * RXRAT( 530 ) ! ETHENE+O3P=0.8000D+00*HO2+...\n & + 1.6500D-01 * RXRAT( 532 ) ! PROPENE+O3=0.1650D+00*HO2+...\n & + 8.0000D-02 * RXRAT( 536 ) ! BUTADIENE13+O3=0.8000D-...\n & + 2.5000D-01 * RXRAT( 538 ) ! BUTADIENE13+O3P=0.2500D+...\n & + 6.6000D-02 * RXRAT( 540 ) ! ISOPRENE+O3=0.6600D-01*HO2+...\n & + 9.1000D-01 * RXRAT( 545 ) ! ISOPOOH=0.9100D+00*HO2+OH+...\n & + 8.2500D-01 * RXRAT( 548 ) ! IEPOXOO+NO=0.8250D+00*HO2+...\n & + 9.1300D-01 * RXRAT( 549 ) ! IEPOXOO+MEO2=0.9130D+...\n & + 4.1300D-01 * RXRAT( 550 ) ! IEPOXOO+RO2C=0.4130D+...\n & + 8.2500D-01 * RXRAT( 551 ) ! IEPOXOO+MECO3=0.8250D+...\n & + 9.0000D-03 * RXRAT( 553 ) ! APIN+O3=0.9000D-02*HO2+...\n & + 1.5000D+00 * RXRAT( 557 ) ! ACETYLENE+O3=0.1500D+...\n & + 9.5000D-02 * RXRAT( 572 ) ! OLE1+O3=0.9500D-01*HO2+...\n & + 9.4000D-02 * RXRAT( 576 ) ! OLE2+O3=0.9400D-01*HO2+...\n & + 7.8000D-02 * RXRAT( 583 ) ! TERP+O3=0.7800D-01*HO2+...\n & + 7.8000D-02 * RXRAT( 587 ) ! SESQ+O3=0.7800D-01*HO2+...\n & + RXRAT( 611 ) ! CL=HO2+HCL\n & + RXRAT( 612 ) ! HCHO+CL=HO2+HCL+CO\n & + RXRAT( 614 ) ! MEOH+CL=HO2+HCHO+HCL\n & + 5.5000D-02 * RXRAT( 618 ) ! RNO3+CL=0.5500D-01*HO2+...\n & + 3.1400D-01 * RXRAT( 619 ) ! PRD2+CL=0.3140D+00*HO2+HCL+...\n & + 6.3000D-01 * RXRAT( 620 ) ! GLY+CL=0.6300D+00*HO2+HCL+...\n & + 1.4800D-01 * RXRAT( 626 ) ! RAOOH+CL=0.1480D+00*HO2+...\n & + 8.4000D-02 * RXRAT( 630 ) ! IPRD+CL=0.8400D-01*HO2+...\n & + RXRAT( 631 ) ! CLCCHO=HO2+CO+RO2C+xCL+...\n & + RXRAT( 671 ) ! ACETYLENE+CL=HO2+CO\n & + 6.8800D-01 * RXRAT( 677 ) ! ETOH+CL=0.6880D+00*HO2+HCL+...\n\n P5 = YC0( HO2 ) + P5 * DTC\n\nc..Production of HONO from OH (r19,4 terms )\n\n R19_4 = RKI( 22 ) * YC( NO ) * DTC ! OH+NO=HONO\n\nc..Remaining HONO production terms\n P19 = RXRAT( 241 ) ! NPHE=HONO\n & + 5.0000D-01 * RXRAT( 713 ) ! NO2=0.5000D+00*HONO+...\n\n P19 = YC0( HONO ) + P19 * DTC\n\nc..Production of HNO4 from HO2 (r21,5 term )\n\n R21_5 = RKI( 32 ) * YCP( NO2 ) * DTC ! HO2+NO2=HNO4\n\nc..Remaining HNO4 production terms\n P21 = YC0( HNO4 )\n\nc..OH loss terms not in R5_4 & R19_4\n L4 = RKI( 24 ) * YC ( HONO ) ! OH+HONO=NO2\n & + RKI( 25 ) * YC ( NO2 ) ! OH+NO2=HNO3\n & + RKI( 27 ) * YC ( HNO3 ) ! OH+HNO3=NO3\n & + RKI( 35 ) * YC ( HNO4 ) ! OH+HNO4=NO2\n & + RKI( 43 ) * YC ( HO2 ) ! OH+HO2=\n & + RKI( 208 ) * YC ( CCHO ) ! OH+CCHO=MECO3\n & + RKI( 211 ) * YC ( RCHO ) ! OH+RCHO=0.9650D+...\n & + RKI( 214 ) * YC ( ACETONE ) ! OH+ACETONE=RO2C+...\n & + RKI( 216 ) * YC ( MEK ) ! OH+MEK=0.9670D+...\n & + RKI( 220 ) * YC ( CCOOH ) ! OH+CCOOH=0.5090D+...\n & + RKI( 221 ) * YC ( RCOOH ) ! OH+RCOOH=RO2C+...\n & + 7.0000D-01 * RKI( 222 ) * YC ( COOH ) ! OH+COOH=0.3000D+...\n & + 2.5600D-01 * RKI( 224 ) * YC ( ROOH ) ! OH+ROOH=0.7440D+...\n & + 1.6000D-01 * RKI( 226 ) * YC ( R6OOH ) ! OH+R6OOH=0.8400D+...\n & + 7.1300D-01 * RKI( 228 ) * YC ( RAOOH ) ! OH+RAOOH=0.1480D+...\n & + 3.0000D-01 * RKI( 232 ) * YC ( GLY ) ! OH+GLY=0.7000D+...\n & + RKI( 235 ) * YC ( MGLY ) ! OH+MGLY=CO+MECO3\n & + RKI( 238 ) * YC ( CRES ) ! OH+CRES=0.2000D+...\n & + RKI( 240 ) * YC ( NPHE ) ! OH+NPHE=BZO\n & + RKI( 243 ) * YC ( BALD ) ! OH+BALD=BZCO3\n & + RKI( 246 ) * YC ( AFG1 ) ! OH+AFG1=0.2170D+...\n & + RKI( 249 ) * YC ( AFG2 ) ! OH+AFG2=0.2170D+...\n & + RKI( 252 ) * YC ( AFG3 ) ! OH+AFG3=0.2060D+...\n & + RKI( 254 ) * YC ( MACR ) ! OH+MACR=0.5000D+...\n & + RKI( 259 ) * YC ( MVK ) ! OH+MVK=0.9750D+...\n & + RKI( 263 ) * YC ( IPRD ) ! OH+IPRD=0.2890D+...\n & + 5.2800D-01 * RKI( 267 ) * YC ( PRD2 ) ! OH+PRD2=0.4720D+...\n & + 8.1100D-01 * RKI( 269 ) * YC ( RNO3 ) ! OH+RNO3=0.1890D+...\n & + RKI( 271 ) * YC ( HOCCHO ) ! OH+HOCCHO=MECO3\n & + RKI( 274 ) * YC ( ACROLEIN ) ! OH+ACROLEIN=...\n & + RKI( 279 ) * YC ( CCOOOH ) ! OH+CCOOOH=...\n & + RKI( 281 ) * YC ( RCOOOH ) ! OH+RCOOOH=...\n & + RKI( 526 ) ! OH=MEO2\n & + RKI( 527 ) * YC ( ETHENE ) ! OH+ETHENE=xHO2+...\n & + RKI( 531 ) * YC ( PROPENE ) ! OH+PROPENE=...\n & + RKI( 535 ) * YC ( BUTADIENE13 ) ! OH+BUTADIENE13=...\n & + RKI( 539 ) * YC ( ISOPRENE ) ! OH+ISOPRENE=...\n & + 3.9000D-01 * RKI( 544 ) * YC ( ISOPOOH ) ! OH+ISOPOOH=...\n & + RKI( 546 ) * YC ( IEPOX ) ! OH+IEPOX=IEPOXOO\n & + RKI( 552 ) * YC ( APIN ) ! OH+APIN=0.7990D+...\n & + 3.1400D-01 * RKI( 558 ) * YC ( BENZENE ) ! OH+BENZENE=...\n & + 5.0700D-01 * RKI( 559 ) * YC ( TOLUENE ) ! OH+TOLUENE=...\n & + 6.0200D-01 * RKI( 560 ) * YC ( MXYL ) ! OH+MXYL=0.1590D+...\n & + 6.4100D-01 * RKI( 561 ) * YC ( OXYL ) ! OH+OXYL=0.1610D+...\n & + 5.6300D-01 * RKI( 562 ) * YC ( PXYL ) ! OH+PXYL=0.1590D+...\n & + 7.4800D-01 * RKI( 563 ) * YC ( TMBENZ124 ) ! OH+TMBENZ124=...\n & + 5.0000D-02 * RKI( 564 ) * YC ( ETOH ) ! OH+ETOH=0.9500D+...\n & + RKI( 565 ) * YC ( ALK1 ) ! OH+ALK1=xHO2+...\n & + RKI( 566 ) * YC ( ALK2 ) ! OH+ALK2=0.9650D+...\n & + RKI( 567 ) * YC ( ALK3 ) ! OH+ALK3=0.6950D+...\n & + RKI( 568 ) * YC ( ALK4 ) ! OH+ALK4=0.8300D+...\n & + RKI( 569 ) * YC ( ALK5 ) ! OH+ALK5=0.6470D+...\n & + RKI( 571 ) * YC ( OLE1 ) ! OH+OLE1=0.8710D+...\n & + RKI( 575 ) * YC ( OLE2 ) ! OH+OLE2=0.9120D+...\n & + 6.7500D-01 * RKI( 579 ) * YC ( ARO1 ) ! OH+ARO1=0.1230D+...\n & + 7.4500D-01 * RKI( 580 ) * YC ( ARO2MN ) ! OH+ARO2MN=...\n & + 7.4500D-01 * RKI( 581 ) * YC ( NAPHTHAL ) ! OH+NAPHTHAL=...\n & + RKI( 582 ) * YC ( TERP ) ! OH+TERP=0.7340D+...\n & + RKI( 586 ) * YC ( SESQ ) ! OH+SESQ=0.7340D+...\n & + RKI( 610 ) * YC ( HCL ) ! OH+HCL=CL\n & + RKI( 632 ) * YC ( CLCCHO ) ! OH+CLCCHO=RCO3\n\n L4 = 1.0D0 + L4 * DTC + R5_4 + R19_4\n\nc..HO2 loss terms not included in R4_5 & R21_5 (except for HO2+HO2 )\n L5 = 2.0000D-01 * RKI( 39 ) * YC ( NO3 ) ! HO2+NO3=0.8000D+...\n & + RKI( 43 ) * YC ( OH ) ! HO2+OH=\n & + RKI( 47 ) * YC ( MEO2 ) ! HO2+MEO2=COOH\n & + RKI( 48 ) * YC ( MEO2 ) ! HO2+MEO2=HCHO\n & + RKI( 53 ) * YC ( RO2C ) ! HO2+RO2C=\n & + RKI( 58 ) * YC ( RO2XC ) ! HO2+RO2XC=\n & + 5.6000D-01 * RKI( 67 ) * YC ( MECO3 ) ! HO2+MECO3=...\n & + 5.6000D-01 * RKI( 77 ) * YC ( RCO3 ) ! HO2+RCO3=0.4400D+...\n & + 5.6000D-01 * RKI( 88 ) * YC ( BZCO3 ) ! HO2+BZCO3=...\n & + 5.6000D-01 * RKI( 100 ) * YC ( MACO3 ) ! HO2+MACO3=...\n & + RKI( 112 ) * YC ( BZO ) ! HO2+BZO=CRES\n & + 1.2000D-01 * RKI( 285 ) * YC ( HCOCO3 ) ! HO2+HCOCO3=...\n & + RKI( 597 ) * YC ( CL ) ! HO2+CL=HCL\n & + RKI( 607 ) * YC ( CLO ) ! HO2+CLO=HOCL\n\n L5 = 1.0D0 + L5 * DTC + R4_5 + R21_5\n\nc..HONO loss terms not included in R4_19\n L19 = RKI( 24 ) * YC ( OH ) ! HONO+OH=NO2\n\n L19 = 1.0D0 + L19 * DTC + R4_19\n\nc..HNO4 loss terms not included in R5_21\n L21 = 3.9000D-01 * RKI( 34 ) ! HNO4=0.6100D+...\n & + RKI( 35 ) * YC ( OH ) ! HNO4+OH=NO2\n\n L21 = 1.0D0 + L21 * DTC + R5_21\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Solution section\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\nc..compute terms used to calculate a,b & c\n L21_INV = 1.0D0 / L21\n T1 = 1.0D0 / ( L4 * L19 - R4_19 * R19_4 )\n T2 = R5_4 * T1\n T3 = R5_21 * L21_INV\n\nc..solve quadratic equation for HO2\n A = 2.0D0 * ( RKI( 37 ) + RKI( 38 ) ) * DTC\n\n B = L5 - T3 * R21_5 - T2 * R4_5 * L19\n\n C = P5 + T3 * P21 + T2 * ( P4 * L19 + P19 * R4_19 )\n\n Q = -0.5D0 * ( B + SIGN( 1.0D0, B ) * SQRT( B * B + 4.0D0 * A * C ) )\n\n YCP( HO2 ) = MAX( Q / A , -C / Q )\n\nc..compute remaining species concentrations\n YCP( OH ) = ( ( P4 + R4_5 * YCP( HO2 ) ) * L19 + R4_19 * P19 ) * T1\n\n YCP( HNO4 ) = ( P21 + R21_5 * YCP( HO2 ) ) * L21_INV\n\n YCP( HONO ) = ( P19 + R19_4 * YCP( OH ) ) / L19\n\n RETURN\n\n END\n\n\n" }, { "path": "CCTM/src/gas/ebi_saprc07tc_ae6_aq/hrg3.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE HRG3( DTC )\n\nC**********************************************************************\nC\nC FUNCTION: To solve for the concentration of C2O3 and PAN\nC\nC PRECONDITIONS: For the SAPRC07TC_AE6_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 8, 2022\nC\nC 18 Jul 14 B.Hutzell: revised to use real(8) variables\nC**********************************************************************\n USE HRDATA\n\n IMPLICIT NONE\n\nC..INCLUDES: NONE\n\nC..ARGUMENTS:\n REAL( 8 ), INTENT( IN ) :: DTC ! Time step\n\n\nC..PARAMETERS: NONE\n\n\nC..EXTERNAL FUNCTIONS: NONE\n\n\nC..SAVED LOCAL VARIABLES:\n! CHARACTER( 16 ), SAVE :: PNAME = 'HRG3' ! Program name\n\n\nC..SCRATCH LOCAL VARIABLES:\n REAL( 8 ) :: A, B, C, Q ! Quadratic equation terms\n REAL( 8 ) :: CMN ! Temp scalar\n REAL( 8 ) :: L8 ! Loss of CCO_O2\n REAL( 8 ) :: L9 ! Loss of PAN\n REAL( 8 ) :: P8 ! Production of CCO_O2\n\n REAL( 8 ) :: K8_8 ! Kmeco3+meco3 * delta t\n REAL( 8 ) :: R8_9 ! Kpan-->meco3 * delta t\n REAL( 8 ) :: R9_8 ! Kmeco3+no2-->pan * [NO2] * delta t\n\nC**********************************************************************\n\n\nc..Production of MECO3 (except from PAN )\n P8 = 4.0000D-01 * RXRAT( 98 ) ! MAPAN=0.4000D+00*MECO3+...\n & + RXRAT( 99 ) ! MACO3+NO=MECO3+CO2+HCHO+NO2\n & + 4.4000D-01 * RXRAT( 100 ) ! MACO3+HO2=0.4400D+00*MECO3+...\n & + RXRAT( 101 ) ! MACO3+NO3=MECO3+CO2+HCHO+NO2\n & + RXRAT( 102 ) ! MACO3+MEO2=MECO3+HO2+CO2+...\n & + RXRAT( 103 ) ! MACO3+RO2C=MECO3+HCHO+CO2\n & + RXRAT( 104 ) ! MACO3+RO2XC=MECO3+HCHO+CO2\n & + RXRAT( 106 ) ! MACO3+RCO3=MECO3+HCHO+RO2C+...\n & + RXRAT( 107 ) ! MACO3+BZCO3=MECO3+HCHO+BZO+...\n & + 2.0000D+00 * RXRAT( 108 ) ! MACO3+MACO3=0.2000D+...\n & + RXRAT( 154 ) ! xMECO3+NO=MECO3+NO\n & + RXRAT( 156 ) ! xMECO3+NO3=MECO3+NO3\n & + 5.0000D-01 * RXRAT( 157 ) ! xMECO3+MEO2=0.5000D+...\n & + 5.0000D-01 * RXRAT( 158 ) ! xMECO3+RO2C=0.5000D+...\n & + 5.0000D-01 * RXRAT( 159 ) ! xMECO3+RO2XC=0.5000D+...\n & + RXRAT( 160 ) ! xMECO3+MECO3=0.2000D+01*MECO3\n & + RXRAT( 161 ) ! xMECO3+RCO3=MECO3+RCO3\n & + RXRAT( 162 ) ! xMECO3+BZCO3=MECO3+BZCO3\n & + RXRAT( 163 ) ! xMECO3+MACO3=MECO3+MACO3\n & + RXRAT( 208 ) ! CCHO+OH=MECO3\n & + RXRAT( 210 ) ! CCHO+NO3=MECO3+HNO3\n & + 6.2000D-01 * RXRAT( 215 ) ! ACETONE=0.6200D+00*MECO3+...\n & + RXRAT( 217 ) ! MEK=MECO3+RO2C+xHO2+xCCHO+...\n & + RXRAT( 234 ) ! MGLY=MECO3+CO+HO2\n & + RXRAT( 235 ) ! MGLY+OH=MECO3+CO\n & + RXRAT( 236 ) ! MGLY+NO3=MECO3+CO+HNO3\n & + 2.0000D+00 * RXRAT( 237 ) ! BACL=0.2000D+01*MECO3\n & + 3.0500D-01 * RXRAT( 248 ) ! AFG1=0.3050D+00*MECO3+...\n & + 1.3000D-02 * RXRAT( 253 ) ! AFG3+O3=0.1300D-01*MECO3+...\n & + 3.4000D-01 * RXRAT( 258 ) ! MACR=0.3400D+00*MECO3+...\n & + 4.6700D-01 * RXRAT( 266 ) ! IPRD=0.4670D+00*MECO3+...\n & + 4.0000D-01 * RXRAT( 268 ) ! PRD2=0.4000D+00*MECO3+...\n & + RXRAT( 271 ) ! HOCCHO+OH=MECO3\n & + RXRAT( 273 ) ! HOCCHO+NO3=MECO3+HNO3\n & + 9.8000D-01 * RXRAT( 279 ) ! CCOOOH+OH=0.9800D+00*MECO3+...\n & + RXRAT( 613 ) ! CCHO+CL=MECO3+HCL\n & + RXRAT( 621 ) ! MGLY+CL=MECO3+CO+HCL\n & + RXRAT( 634 ) ! CLACET=MECO3+RO2C+xCL+...\n\nc..Loss frequency of MECO3 ( not including MECO3 + MECO3 )\n L8 = RKI( 63 ) * YC ( NO2 ) ! MECO3+NO2=PAN\n & + RKI( 66 ) * YC ( NO ) ! MECO3+NO=MEO2+...\n & + RKI( 67 ) * YC ( HO2 ) ! MECO3+HO2=...\n & + RKI( 68 ) * YC ( NO3 ) ! MECO3+NO3=MEO2+...\n & + RKI( 69 ) * YC ( MEO2 ) ! MECO3+MEO2=...\n & + RKI( 70 ) * YC ( RO2C ) ! MECO3+RO2C=MEO2+CO2\n & + RKI( 71 ) * YC ( RO2XC ) ! MECO3+RO2XC=MEO2+CO2\n & + RKI( 82 ) * YC ( RCO3 ) ! MECO3+RCO3=...\n & + RKI( 93 ) * YC ( BZCO3 ) ! MECO3+BZCO3=...\n & + RKI( 551 ) * YC ( IEPOXOO ) ! MECO3+IEPOXOO=...\n\nc..Loss frequency of PAN\n L9 = RKI( 64 ) ! PAN=MECO3+NO2\n & + RKI( 65 ) ! PAN=0.6000D+...\n\nc..K8_8, R8_9, and R9_8 terms\n K8_8 = RKI( 72 ) * DTC\n\n R8_9 = ( RKI( 64 )\n & + RKI( 65 ) ) * DTC \n\n R9_8 = ( RKI( 63 ) * YC( NO2 ) ) * DTC \n\nc..Solution of quadratic equation to get MECO3 & PAN\n CMN = 1.0 + L9 * DTC\n A = 2.0D0 * K8_8 * CMN\n B = CMN * ( 1.0D0 + L8 * DTC ) - R8_9 * R9_8\n C = CMN * ( YC0( MECO3 ) + P8 * DTC ) + R8_9 * YC0( PAN )\n\n Q = -0.5D0 * ( B + SIGN( 1.0D0, B ) * SQRT( B * B + 4.0D0 * A * C ) )\n\n YCP( MECO3 ) = MAX( Q / A , -C / Q )\n\n YCP( PAN ) = ( YC0( PAN ) + R9_8 * YCP( MECO3 ) ) / CMN\n\n RETURN\n\n END\n" }, { "path": "CCTM/src/gas/ebi_saprc07tc_ae6_aq/hrg4.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE HRG4( DTC )\n\nC**********************************************************************\nC\nC FUNCTION: To solve for the concentration of NO3 and N2O5\nC\nC PRECONDITIONS: For the SAPRC07TC_AE6_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 8, 2022\nC\nC 18 Jul 14 B.Hutzell: revised to use real(8) variables\nC**********************************************************************\n USE HRDATA\n\n IMPLICIT NONE\n\n\nC..INCLUDES: NONE\n\n\nC..ARGUMENTS:\n REAL( 8 ), INTENT( IN ) :: DTC ! Time step\n\n\nC..PARAMETERS: NONE\n\n\nC..EXTERNAL FUNCTIONS: NONE\n\n\nC..SAVED LOCAL VARIABLES:\n! CHARACTER( 16 ), SAVE :: PNAME = 'HRG4' ! Program name\n\n\nC..SCRATCH LOCAL VARIABLES:\n REAL( 8 ) :: A, B, C, Q ! Quadratic equation terms\n REAL( 8 ) :: CMN ! Temp scalar\n REAL( 8 ) :: L15 ! Loss of NO3\n REAL( 8 ) :: L16 ! Loss of N2O5\n REAL( 8 ) :: P15 ! Production of NO3\n REAL( 8 ) :: K15_15 ! Kno3+no3 * delta t\n REAL( 8 ) :: R15_16 ! Kn2o5-->no3 * delta t\n REAL( 8 ) :: R16_15 ! Kno3+no2-->n2o5[NO2] * delta t\n\n\nC**********************************************************************\n\n\nc..Production of NO3 (except from N2O5 )\n P15 = RKI( 6 ) * YCP( O3P ) * YCP( NO2 ) ! O3P+NO2=NO3\n & + RKI( 8 ) * YCP( O3 ) * YCP( NO2 ) ! O3+NO2=NO3\n & + RKI( 27 ) * YCP( OH ) * YC ( HNO3 ) ! OH+HNO3=NO3\n & + 3.9000D-01 * RKI( 34 ) * YC ( HNO4 ) ! HNO4=0.3900D+00*NO3+...\n & + 4.0000D-01 * RKI( 65 ) * YC ( PAN ) ! PAN=0.4000D+00*NO3+0.6000D+...\n & + 4.0000D-01 * RKI( 75 ) * YC ( PAN2 ) ! PAN2=0.4000D+00*NO3+...\n & + 4.0000D-01 * RKI( 86 ) * YC ( PBZN ) ! PBZN=0.4000D+00*NO3+...\n & + 4.0000D-01 * RKI( 98 ) * YC ( MAPAN ) ! MAPAN=0.4000D+00*NO3+...\n & + RKI( 284 ) * YC ( HCOCO3 ) * YCP( NO2 ) ! HCOCO3+NO2=NO3+CO+CO2+HO2\n & + RKI( 604 ) * YC ( CLONO2 ) ! CLONO2=NO3+CL\n & + RKI( 606 ) * YC ( CL ) * YC ( CLONO2 ) ! CL+CLONO2=NO3+CL2\n\nc..Loss frequency of NO3 ( except NO3 + NO3 if present )\n L15 = RKI( 9 ) * YCP( NO ) ! NO3+NO=0.2000D+...\n & + RKI( 11 ) * YCP( NO2 ) ! NO3+NO2=N2O5\n & + RKI( 15 ) * YCP( NO2 ) ! NO3+NO2=NO+NO2\n & + RKI( 16 ) ! NO3=NO\n & + RKI( 17 ) ! NO3=NO2+O3P\n & + RKI( 26 ) * YCP( OH ) ! NO3+OH=HO2+NO2\n & + RKI( 39 ) * YCP( HO2 ) ! NO3+HO2=0.8000D+...\n & + RKI( 49 ) * YC ( MEO2 ) ! NO3+MEO2=HCHO+...\n & + RKI( 54 ) * YC ( RO2C ) ! NO3+RO2C=NO2\n & + RKI( 59 ) * YC ( RO2XC ) ! NO3+RO2XC=NO2\n & + RKI( 68 ) * YC ( MECO3 ) ! NO3+MECO3=MEO2+...\n & + RKI( 78 ) * YC ( RCO3 ) ! NO3+RCO3=NO2+...\n & + RKI( 89 ) * YC ( BZCO3 ) ! NO3+BZCO3=NO2+...\n & + RKI( 101 ) * YC ( MACO3 ) ! NO3+MACO3=NO2+...\n & + RKI( 207 ) * YC ( HCHO ) ! NO3+HCHO=HNO3+HO2+CO\n & + RKI( 210 ) * YC ( CCHO ) ! NO3+CCHO=HNO3+MECO3\n & + RKI( 213 ) * YC ( RCHO ) ! NO3+RCHO=HNO3+RCO3\n & + RKI( 233 ) * YC ( GLY ) ! NO3+GLY=HNO3+...\n & + RKI( 236 ) * YC ( MGLY ) ! NO3+MGLY=HNO3+CO+...\n & + RKI( 239 ) * YC ( CRES ) ! NO3+CRES=HNO3+BZO\n & + RKI( 245 ) * YC ( BALD ) ! NO3+BALD=HNO3+BZCO3\n & + RKI( 256 ) * YC ( MACR ) ! NO3+MACR=0.5000D+...\n & + RKI( 265 ) * YC ( IPRD ) ! NO3+IPRD=0.1500D+...\n & + RKI( 273 ) * YC ( HOCCHO ) ! NO3+HOCCHO=HNO3+...\n & + RKI( 276 ) * YC ( ACROLEIN ) ! NO3+ACROLEIN=...\n & + RKI( 529 ) * YC ( ETHENE ) ! NO3+ETHENE=xHO2+...\n & + RKI( 533 ) * YC ( PROPENE ) ! NO3+PROPENE=...\n & + RKI( 537 ) * YC ( BUTADIENE13 ) ! NO3+BUTADIENE13=...\n & + RKI( 541 ) * YC ( ISOPRENE ) ! NO3+ISOPRENE=...\n & + RKI( 554 ) * YC ( APIN ) ! NO3+APIN=0.5600D-...\n & + RKI( 573 ) * YC ( OLE1 ) ! NO3+OLE1=0.7720D+...\n & + RKI( 577 ) * YC ( OLE2 ) ! NO3+OLE2=0.4000D+...\n & + RKI( 584 ) * YC ( TERP ) ! NO3+TERP=0.2270D+...\n & + RKI( 588 ) * YC ( SESQ ) ! NO3+SESQ=0.2270D+...\n & + RKI( 600 ) * YC ( CL ) ! NO3+CL=CLO+NO2\n\nc..Loss frequency of N2O5\n L16 = RKI( 12 ) ! N2O5=NO2+NO3\n & + RKI( 13 ) ! N2O5=0.2000D+01*HNO3\n & + RKI( 14 ) ! N2O5=0.2000D+01*HNO3\n & + RKI( 714 ) ! N2O5=HNO3+H2NO3PIJ\n & + RKI( 715 ) ! N2O5=HNO3+H2NO3PK\n\nc..K15_15, R15_16, and R16_15 terms\n K15_15 = RKI( 40 ) * DTC\n\n R15_16 = ( RKI( 12 ) ) * DTC \n\n\n R16_15 = RKI( 11 ) * YCP( NO2 ) * DTC\n\nc..Solution of quadratic equation to get NO3 & N2O5\n CMN = 1.0D0 + L16 * DTC\n A = 2.0D0 * K15_15 * CMN\n B = CMN * ( 1.0D0 + L15 * DTC ) - R15_16 * R16_15\n C = CMN * ( YC0( NO3 ) + P15 * DTC ) + R15_16 * YC0( N2O5 )\n\n Q = -0.5D0 * ( B + SIGN( 1.0D0, B ) * SQRT( B * B + 4.0D0 * A * C ) )\n YCP( NO3 ) = MAX( Q / A , -C / Q )\n YCP( N2O5 ) = ( YC0( N2O5 ) + R16_15 * YCP( NO3 ) ) / CMN\n\n RETURN\n\n END\n" }, { "path": "CCTM/src/gas/ebi_saprc07tc_ae6_aq/hrinit.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\n SUBROUTINE HRINIT\nC***********************************************************************\nC\nC FUNCTION: To initialize species tolerances, arrays, and indices\nC\nC PRECONDITIONS: For the SAPRC07TC_AE6_AQ mechanism\nC\nC RETURN VALUES: None\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 8, 2022\nC 21 Jun 10 J.Young: convert for Namelist redesign\nC 18 Jul 14 B.Hutzell: revised to use the RXNS_DATA and RXNS_FUNCTION\nC modules instead of include files\nC***********************************************************************\n\n USE UTILIO_DEFN\n USE HRDATA\n USE RXNS_DATA\n USE RXNS_FUNCTION\n\n IMPLICIT NONE\n\nC.....INCLUDES:\n Include SUBST_CONST ! common constants\n\nC.....ARGUMENTS: NONE\n\nC.....PARAMETERS: NONE\n\n\nC.....SAVED VARIABLES:\n CHARACTER( 16 ), SAVE :: PNAME = 'HRINIT' ! Program name\n\n\nC.....LOCAL VARIABLES:\n CHARACTER( 132 ) :: MSG ! Log message\n\n INTEGER N ! Loop index\n INTEGER IOS ! Allocate error status\n\nC***********************************************************************\n\n N_SPEC = NUMB_MECH_SPC\n N_RXNS = NRXNS\n N_SPCL_RKS = 0\n ALLOCATE( RKI( NRXNS ),\n & RKI_SAV( MAX_CELLS_EBI, NRXNS ),\n & FORWARD_CONV( NUMB_MECH_SPC),\n & REVERSE_CONV( NUMB_MECH_SPC),\n & RXRAT( NRXNS ),\n & RTOL( NUMB_MECH_SPC),\n & YC( NUMB_MECH_SPC),\n & YC0( NUMB_MECH_SPC),\n & YCP( NUMB_MECH_SPC),\n & PROD( NUMB_MECH_SPC),\n & LOSS( NUMB_MECH_SPC),\n & STAT = IOS )\n\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating RKI, RXRAT, RTOL, YC, YC0, YCP, FORWARD_CONV, '\n & // 'REVERSE_CONV, PROD, LOSS, or PNEG'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n ALLOCATE( ATMPRES( MAX_CELLS_EBI ),\n & H2O ( MAX_CELLS_EBI ),\n & TEMP ( MAX_CELLS_EBI ),\n & DENSITY( MAX_CELLS_EBI ),\n & HET ( MAX_CELLS_EBI, NHETERO ),\n & RJIN ( MAX_CELLS_EBI, NPHOTAB ),\n & SEAWATER ( MAX_CELLS_EBI ) ,\n & STAT = IOS )\n\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating ATMPRES, H2O, TEMP, HET, RJIN, SEAWATER '\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n IF( NSPECIAL .GT. 0 )THEN\n ALLOCATE( SYC( MAX_CELLS_EBI, NUMB_MECH_SPC ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating SYC'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n ALLOCATE( IOLD2NEW( NUMB_MECH_SPC, 1 ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating IOLD2NEW'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n DO N = 1, NUMB_MECH_SPC\n IOLD2NEW( N, 1 ) = N\n END DO\n END IF\n\n IF( .NOT. MAP_CHEMISTRY_SPECIES() )THEN\n MSG = 'Detected above error(s) when mapping Chemistry species from CGRID species'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n\n DO N = 1, NUMB_MECH_SPC\n FORWARD_CONV( N ) = 1.0E-3 * MWAIR / SPECIES_MOLWT( N )\n REVERSE_CONV( N ) = 1.0E+3 / MWAIR * SPECIES_MOLWT( N )\n END DO\n\n! initialize all reaction rates to zero so unused array elements are defined\n\n RXRAT = 0.0D0\n\n! initialize all production and loss rates to zero so unused array elements are defined\n\n PROD = 0.0D0\n LOSS = 0.0D0\n\n NING1 = 4\n NING2 = 4\n\n ALLOCATE( YCCELL( MODEL_SPECIES), STAT = IOS ) ! array for degradation routines\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating YCCELL '\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n\nc..Allocate and define ebi species\n\n N_EBISP = 185\n ALLOCATE( EBISP( N_EBISP ), STAT = IOS ) \n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating EBISP' \n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n EBISP( 1 ) = HNO3\n EBISP( 2 ) = CO\n EBISP( 3 ) = CO2\n EBISP( 4 ) = HO2H\n EBISP( 5 ) = SO2\n EBISP( 6 ) = SULF\n EBISP( 7 ) = SULRXN\n EBISP( 8 ) = MEO2\n EBISP( 9 ) = HCHO\n EBISP( 10 ) = COOH\n EBISP( 11 ) = MEOH\n EBISP( 12 ) = RO2C\n EBISP( 13 ) = RO2XC\n EBISP( 14 ) = CCOOOH\n EBISP( 15 ) = CCOOH\n EBISP( 16 ) = RCO3\n EBISP( 17 ) = PAN2\n EBISP( 18 ) = xHO2\n EBISP( 19 ) = yROOH\n EBISP( 20 ) = xCCHO\n EBISP( 21 ) = RCOOOH\n EBISP( 22 ) = RCOOH\n EBISP( 23 ) = BZCO3\n EBISP( 24 ) = PBZN\n EBISP( 25 ) = BZO\n EBISP( 26 ) = MACO3\n EBISP( 27 ) = MAPAN\n EBISP( 28 ) = TBUO\n EBISP( 29 ) = RNO3\n EBISP( 30 ) = ACETONE\n EBISP( 31 ) = NPHE\n EBISP( 32 ) = CRES\n EBISP( 33 ) = xOH\n EBISP( 34 ) = xNO2\n EBISP( 35 ) = xMEO2\n EBISP( 36 ) = xMECO3\n EBISP( 37 ) = xRCO3\n EBISP( 38 ) = xMACO3\n EBISP( 39 ) = xTBUO\n EBISP( 40 ) = xCO\n EBISP( 41 ) = CCHO\n EBISP( 42 ) = RCHO\n EBISP( 43 ) = xHCHO\n EBISP( 44 ) = MEK\n EBISP( 45 ) = zRNO3\n EBISP( 46 ) = xRCHO\n EBISP( 47 ) = HCOOH\n EBISP( 48 ) = xMGLY\n EBISP( 49 ) = xBACL\n EBISP( 50 ) = ROOH\n EBISP( 51 ) = xPROD2\n EBISP( 52 ) = R6OOH\n EBISP( 53 ) = PRD2\n EBISP( 54 ) = yR6OOH\n EBISP( 55 ) = RAOOH\n EBISP( 56 ) = MGLY\n EBISP( 57 ) = IPRD\n EBISP( 58 ) = xGLY\n EBISP( 59 ) = xMEK\n EBISP( 60 ) = xAFG1\n EBISP( 61 ) = xAFG2\n EBISP( 62 ) = GLY\n EBISP( 63 ) = AFG1\n EBISP( 64 ) = AFG2\n EBISP( 65 ) = HCOCO3\n EBISP( 66 ) = BACL\n EBISP( 67 ) = BALD\n EBISP( 68 ) = AFG3\n EBISP( 69 ) = xIPRD\n EBISP( 70 ) = MACR\n EBISP( 71 ) = MVK\n EBISP( 72 ) = xHOCCHO\n EBISP( 73 ) = xRNO3\n EBISP( 74 ) = HOCCHO\n EBISP( 75 ) = xACETONE\n EBISP( 76 ) = ACROLEIN\n EBISP( 77 ) = xBALD\n EBISP( 78 ) = xAFG3\n EBISP( 79 ) = xMACR\n EBISP( 80 ) = xMVK\n EBISP( 81 ) = yISOPOOH\n EBISP( 82 ) = ISOPOOH\n EBISP( 83 ) = yRAOOH\n EBISP( 84 ) = xACROLEIN\n EBISP( 85 ) = ETHENE\n EBISP( 86 ) = PROPENE\n EBISP( 87 ) = BUTADIENE13\n EBISP( 88 ) = ISOPRENE\n EBISP( 89 ) = ISOPRXN\n EBISP( 90 ) = IEPOX\n EBISP( 91 ) = ARO2MN\n EBISP( 92 ) = IEPOXOO\n EBISP( 93 ) = APIN\n EBISP( 94 ) = TRPRXN\n EBISP( 95 ) = ACETYLENE\n EBISP( 96 ) = BENZENE\n EBISP( 97 ) = BENZRO2\n EBISP( 98 ) = TOLUENE\n EBISP( 99 ) = TOLRO2\n EBISP( 100 ) = MXYL\n EBISP( 101 ) = XYLRO2\n EBISP( 102 ) = OXYL\n EBISP( 103 ) = PXYL\n EBISP( 104 ) = TMBENZ124\n EBISP( 105 ) = ETOH\n EBISP( 106 ) = ALK1\n EBISP( 107 ) = ALK2\n EBISP( 108 ) = ALK3\n EBISP( 109 ) = ALK4\n EBISP( 110 ) = ALK5\n EBISP( 111 ) = SOAALK\n EBISP( 112 ) = ALKRXN\n EBISP( 113 ) = OLE1\n EBISP( 114 ) = OLE2\n EBISP( 115 ) = ARO1\n EBISP( 116 ) = NAPHTHAL\n EBISP( 117 ) = PAHRO2\n EBISP( 118 ) = TERP\n EBISP( 119 ) = SESQ\n EBISP( 120 ) = SESQRXN\n EBISP( 121 ) = CL2\n EBISP( 122 ) = CL\n EBISP( 123 ) = CLNO\n EBISP( 124 ) = CLONO\n EBISP( 125 ) = CLNO2\n EBISP( 126 ) = HCL\n EBISP( 127 ) = CLO\n EBISP( 128 ) = CLONO2\n EBISP( 129 ) = HOCL\n EBISP( 130 ) = xCL\n EBISP( 131 ) = xCLCCHO\n EBISP( 132 ) = xCLACET\n EBISP( 133 ) = CLCCHO\n EBISP( 134 ) = CLACET\n EBISP( 135 ) = CLCHO\n EBISP( 136 ) = BNZNRXN\n EBISP( 137 ) = BNZHRXN\n EBISP( 138 ) = XYLNRXN\n EBISP( 139 ) = XYLHRXN\n EBISP( 140 ) = TOLNRXN\n EBISP( 141 ) = TOLHRXN\n EBISP( 142 ) = PAHNRXN\n EBISP( 143 ) = PAHHRXN\n EBISP( 144 ) = HCHO_PRIMARY\n EBISP( 145 ) = CCHO_PRIMARY\n EBISP( 146 ) = ACRO_PRIMARY\n EBISP( 147 ) = H2NO3PIJ\n EBISP( 148 ) = H2NO3PK\n EBISP( 149 ) = ACLI\n EBISP( 150 ) = ACLJ\n EBISP( 151 ) = ACLK\n EBISP( 152 ) = AXYL1J\n EBISP( 153 ) = AOLGAJ\n EBISP( 154 ) = AXYL2J\n EBISP( 155 ) = ATOL1J\n EBISP( 156 ) = ATOL2J\n EBISP( 157 ) = ABNZ1J\n EBISP( 158 ) = ABNZ2J\n EBISP( 159 ) = ATRP1J\n EBISP( 160 ) = AOLGBJ\n EBISP( 161 ) = ATRP2J\n EBISP( 162 ) = AISO1J\n EBISP( 163 ) = AISO2J\n EBISP( 164 ) = ASQTJ\n EBISP( 165 ) = APAH1J\n EBISP( 166 ) = APAH2J\n EBISP( 167 ) = AALK1J\n EBISP( 168 ) = AALK2J\n EBISP( 169 ) = APOCI\n EBISP( 170 ) = APNCOMI\n EBISP( 171 ) = APOCJ\n EBISP( 172 ) = APNCOMJ\n EBISP( 173 ) = PCVOC\n EBISP( 174 ) = PCSOARXN\n EBISP( 175 ) = VLVPO1\n EBISP( 176 ) = VSVPO1\n EBISP( 177 ) = VSVPO2\n EBISP( 178 ) = VSVPO3\n EBISP( 179 ) = VIVPO1\n EBISP( 180 ) = VLVOO1\n EBISP( 181 ) = VLVOO2\n EBISP( 182 ) = VSVOO2\n EBISP( 183 ) = VSVOO3\n EBISP( 184 ) = VSVOO1\n EBISP( 185 ) = AISO3J\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Set species tolerances\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n RTOL( NO2 ) = 5.0D-04\n RTOL( NO ) = 5.0D-04\n RTOL( O3P ) = 1.0D+00\n RTOL( O3 ) = 5.0D-04\n RTOL( NO3 ) = 5.0D-04\n RTOL( N2O5 ) = 5.0D-04\n RTOL( HNO3 ) = 5.0D-04\n RTOL( O1D ) = 1.0D+00\n RTOL( OH ) = 5.0D-04\n RTOL( HONO ) = 5.0D-04\n RTOL( HO2 ) = 5.0D-04\n RTOL( CO ) = 5.0D-04\n RTOL( CO2 ) = 5.0D-04\n RTOL( HNO4 ) = 5.0D-04\n RTOL( HO2H ) = 5.0D-04\n RTOL( SO2 ) = 5.0D-04\n RTOL( SULF ) = 1.0D+00\n RTOL( SULRXN ) = 1.0D+00\n RTOL( MEO2 ) = 5.0D-04\n RTOL( HCHO ) = 5.0D-04\n RTOL( COOH ) = 5.0D-04\n RTOL( MEOH ) = 5.0D-04\n RTOL( RO2C ) = 5.0D-04\n RTOL( RO2XC ) = 5.0D-04\n RTOL( MECO3 ) = 5.0D-04\n RTOL( PAN ) = 5.0D-04\n RTOL( CCOOOH ) = 5.0D-04\n RTOL( CCOOH ) = 5.0D-04\n RTOL( RCO3 ) = 5.0D-04\n RTOL( PAN2 ) = 5.0D-04\n RTOL( xHO2 ) = 5.0D-04\n RTOL( yROOH ) = 5.0D-04\n RTOL( xCCHO ) = 5.0D-04\n RTOL( RCOOOH ) = 5.0D-04\n RTOL( RCOOH ) = 5.0D-04\n RTOL( BZCO3 ) = 5.0D-04\n RTOL( PBZN ) = 5.0D-04\n RTOL( BZO ) = 5.0D-04\n RTOL( MACO3 ) = 5.0D-04\n RTOL( MAPAN ) = 5.0D-04\n RTOL( TBUO ) = 5.0D-04\n RTOL( RNO3 ) = 5.0D-04\n RTOL( ACETONE ) = 5.0D-04\n RTOL( NPHE ) = 5.0D-04\n RTOL( CRES ) = 5.0D-04\n RTOL( xOH ) = 5.0D-04\n RTOL( xNO2 ) = 5.0D-04\n RTOL( xMEO2 ) = 5.0D-04\n RTOL( xMECO3 ) = 5.0D-04\n RTOL( xRCO3 ) = 5.0D-04\n RTOL( xMACO3 ) = 5.0D-04\n RTOL( xTBUO ) = 5.0D-04\n RTOL( xCO ) = 5.0D-04\n RTOL( CCHO ) = 5.0D-04\n RTOL( RCHO ) = 5.0D-04\n RTOL( xHCHO ) = 5.0D-04\n RTOL( MEK ) = 5.0D-04\n RTOL( zRNO3 ) = 5.0D-04\n RTOL( xRCHO ) = 5.0D-04\n RTOL( HCOOH ) = 5.0D-04\n RTOL( xMGLY ) = 5.0D-04\n RTOL( xBACL ) = 5.0D-04\n RTOL( ROOH ) = 5.0D-04\n RTOL( xPROD2 ) = 5.0D-04\n RTOL( R6OOH ) = 5.0D-04\n RTOL( PRD2 ) = 5.0D-04\n RTOL( yR6OOH ) = 5.0D-04\n RTOL( RAOOH ) = 5.0D-04\n RTOL( MGLY ) = 5.0D-04\n RTOL( IPRD ) = 5.0D-04\n RTOL( xGLY ) = 5.0D-04\n RTOL( xMEK ) = 5.0D-04\n RTOL( xAFG1 ) = 5.0D-04\n RTOL( xAFG2 ) = 5.0D-04\n RTOL( GLY ) = 5.0D-04\n RTOL( AFG1 ) = 5.0D-04\n RTOL( AFG2 ) = 5.0D-04\n RTOL( HCOCO3 ) = 5.0D-04\n RTOL( BACL ) = 5.0D-04\n RTOL( BALD ) = 5.0D-04\n RTOL( AFG3 ) = 5.0D-04\n RTOL( xIPRD ) = 5.0D-04\n RTOL( MACR ) = 5.0D-04\n RTOL( MVK ) = 5.0D-04\n RTOL( xHOCCHO ) = 5.0D-04\n RTOL( xRNO3 ) = 5.0D-04\n RTOL( HOCCHO ) = 5.0D-04\n RTOL( xACETONE ) = 5.0D-04\n RTOL( ACROLEIN ) = 5.0D-04\n RTOL( xBALD ) = 5.0D-04\n RTOL( xAFG3 ) = 5.0D-04\n RTOL( xMACR ) = 5.0D-04\n RTOL( xMVK ) = 5.0D-04\n RTOL( yISOPOOH ) = 5.0D-04\n RTOL( ISOPOOH ) = 5.0D-04\n RTOL( yRAOOH ) = 5.0D-04\n RTOL( xACROLEIN ) = 5.0D-04\n RTOL( ETHENE ) = 5.0D-04\n RTOL( PROPENE ) = 5.0D-04\n RTOL( BUTADIENE13 ) = 5.0D-04\n RTOL( ISOPRENE ) = 5.0D-04\n RTOL( ISOPRXN ) = 1.0D+00\n RTOL( IEPOX ) = 5.0D-04\n RTOL( ARO2MN ) = 5.0D-04\n RTOL( IEPOXOO ) = 5.0D-04\n RTOL( APIN ) = 5.0D-04\n RTOL( TRPRXN ) = 1.0D+00\n RTOL( ACETYLENE ) = 5.0D-04\n RTOL( BENZENE ) = 5.0D-04\n RTOL( BENZRO2 ) = 5.0D-04\n RTOL( TOLUENE ) = 5.0D-04\n RTOL( TOLRO2 ) = 5.0D-04\n RTOL( MXYL ) = 5.0D-04\n RTOL( XYLRO2 ) = 5.0D-04\n RTOL( OXYL ) = 5.0D-04\n RTOL( PXYL ) = 5.0D-04\n RTOL( TMBENZ124 ) = 5.0D-04\n RTOL( ETOH ) = 5.0D-04\n RTOL( ALK1 ) = 5.0D-04\n RTOL( ALK2 ) = 5.0D-04\n RTOL( ALK3 ) = 5.0D-04\n RTOL( ALK4 ) = 5.0D-04\n RTOL( ALK5 ) = 5.0D-04\n RTOL( SOAALK ) = 5.0D-04\n RTOL( ALKRXN ) = 1.0D+00\n RTOL( OLE1 ) = 5.0D-04\n RTOL( OLE2 ) = 5.0D-04\n RTOL( ARO1 ) = 5.0D-04\n RTOL( NAPHTHAL ) = 5.0D-04\n RTOL( PAHRO2 ) = 1.0D+00\n RTOL( TERP ) = 5.0D-04\n RTOL( SESQ ) = 5.0D-04\n RTOL( SESQRXN ) = 1.0D+00\n RTOL( CL2 ) = 5.0D-04\n RTOL( CL ) = 5.0D-04\n RTOL( CLNO ) = 5.0D-04\n RTOL( CLONO ) = 5.0D-04\n RTOL( CLNO2 ) = 5.0D-04\n RTOL( HCL ) = 5.0D-04\n RTOL( CLO ) = 5.0D-04\n RTOL( CLONO2 ) = 5.0D-04\n RTOL( HOCL ) = 5.0D-04\n RTOL( xCL ) = 5.0D-04\n RTOL( xCLCCHO ) = 5.0D-04\n RTOL( xCLACET ) = 5.0D-04\n RTOL( CLCCHO ) = 5.0D-04\n RTOL( CLACET ) = 5.0D-04\n RTOL( CLCHO ) = 5.0D-04\n RTOL( BNZNRXN ) = 1.0D+00\n RTOL( BNZHRXN ) = 1.0D+00\n RTOL( XYLNRXN ) = 1.0D+00\n RTOL( XYLHRXN ) = 1.0D+00\n RTOL( TOLNRXN ) = 1.0D+00\n RTOL( TOLHRXN ) = 1.0D+00\n RTOL( PAHNRXN ) = 1.0D+00\n RTOL( PAHHRXN ) = 1.0D+00\n RTOL( HCHO_PRIMARY ) = 5.0D-04\n RTOL( CCHO_PRIMARY ) = 5.0D-04\n RTOL( ACRO_PRIMARY ) = 5.0D-04\n RTOL( H2NO3PIJ ) = 5.0D-04\n RTOL( H2NO3PK ) = 5.0D-04\n RTOL( ACLI ) = 5.0D-04\n RTOL( ACLJ ) = 5.0D-04\n RTOL( ACLK ) = 5.0D-04\n RTOL( AXYL1J ) = 5.0D-04\n RTOL( AOLGAJ ) = 5.0D-04\n RTOL( AXYL2J ) = 5.0D-04\n RTOL( ATOL1J ) = 5.0D-04\n RTOL( ATOL2J ) = 5.0D-04\n RTOL( ABNZ1J ) = 5.0D-04\n RTOL( ABNZ2J ) = 5.0D-04\n RTOL( ATRP1J ) = 5.0D-04\n RTOL( AOLGBJ ) = 5.0D-04\n RTOL( ATRP2J ) = 5.0D-04\n RTOL( AISO1J ) = 5.0D-04\n RTOL( AISO2J ) = 5.0D-04\n RTOL( ASQTJ ) = 5.0D-04\n RTOL( APAH1J ) = 5.0D-04\n RTOL( APAH2J ) = 5.0D-04\n RTOL( AALK1J ) = 5.0D-04\n RTOL( AALK2J ) = 5.0D-04\n RTOL( APOCI ) = 5.0D-04\n RTOL( APNCOMI ) = 5.0D-04\n RTOL( APOCJ ) = 5.0D-04\n RTOL( APNCOMJ ) = 5.0D-04\n RTOL( PCVOC ) = 5.0D-04\n RTOL( PCSOARXN ) = 5.0D-04\n RTOL( VLVPO1 ) = 5.0D-04\n RTOL( VSVPO1 ) = 5.0D-04\n RTOL( VSVPO2 ) = 5.0D-04\n RTOL( VSVPO3 ) = 5.0D-04\n RTOL( VIVPO1 ) = 5.0D-04\n RTOL( VLVOO1 ) = 5.0D-04\n RTOL( VLVOO2 ) = 5.0D-04\n RTOL( VSVOO2 ) = 5.0D-04\n RTOL( VSVOO3 ) = 5.0D-04\n RTOL( VSVOO1 ) = 5.0D-04\n RTOL( AISO3J ) = 5.0D-04\n\n\n RETURN\n\n END\n" }, { "path": "CCTM/src/gas/ebi_saprc07tc_ae6_aq/hrprodloss.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE HRPRODLOSS\n\nC***********************************************************************\nC\nC FUNCTION: To compute the production and loss rates for EBI species\nC\nC PRECONDITIONS: For the SAPRC07TC_AE6_AQ mechanism\nC\nC RETURN VALUES: None\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 8, 2022\nC\nC 18 Jul 14 B.Hutzell: revised to use real(8) variables\n\nC***********************************************************************\n USE HRDATA\n\n IMPLICIT NONE\n\n\nC.....INCLUDES: NONE\n\n\nC.....ARGUMENTS: NONE\n\n\nC.....PARAMETERS: NONE\n\n\nC.....EXTERNAL FUNCTIONS: NONE\n\n\nC.....SAVED VARIABLES: NONE\n! CHARACTER( 16 ), SAVE :: PNAME = 'HRPRODLOSS' ! Program name\n\n\nC.....LOCAL VARIABLES:\n\n\nC***********************************************************************\n\n\n PROD( HNO3 ) = 2.0000D+00 * RXRAT( 13 ) ! N2O5=0.2000D+01*HNO3\n & + 2.0000D+00 * RXRAT( 14 ) ! N2O5=0.2000D+01*HNO3\n & + RXRAT( 25 ) ! OH+NO2=HNO3\n & + 2.0000D-01 * RXRAT( 39 ) ! NO3+HO2=0.2000D+00*HNO3+...\n & + RXRAT( 207 ) ! HCHO+NO3=HNO3+HO2+CO\n & + RXRAT( 210 ) ! CCHO+NO3=HNO3+MECO3\n & + RXRAT( 213 ) ! RCHO+NO3=HNO3+RCO3\n & + RXRAT( 233 ) ! GLY+NO3=HNO3+0.7000D+...\n & + RXRAT( 236 ) ! MGLY+NO3=HNO3+CO+MECO3\n & + RXRAT( 239 ) ! CRES+NO3=HNO3+BZO\n & + RXRAT( 245 ) ! BALD+NO3=HNO3+BZCO3\n & + 5.0000D-01 * RXRAT( 256 ) ! MACR+NO3=0.5000D+00*HNO3+...\n & + 1.5000D-01 * RXRAT( 265 ) ! IPRD+NO3=0.1500D+00*HNO3+...\n & + RXRAT( 273 ) ! HOCCHO+NO3=HNO3+MECO3\n & + 9.6700D-01 * RXRAT( 276 ) ! ACROLEIN+NO3=0.9670D+...\n & + 5.0000D-01 * RXRAT( 713 ) ! NO2=0.5000D+00*HNO3+...\n & + RXRAT( 714 ) ! N2O5=HNO3+H2NO3PIJ\n & + RXRAT( 715 ) ! N2O5=HNO3+H2NO3PK\n & + RXRAT( 716 ) ! H2NO3PIJ=HNO3\n & + RXRAT( 717 ) ! H2NO3PK=HNO3\n LOSS( HNO3 ) = RXRAT( 27 ) ! HNO3+OH=NO3\n & + RXRAT( 28 ) ! HNO3=OH+NO2\n\n PROD( CO ) = RXRAT( 194 ) ! xCO+NO=CO+NO\n & + RXRAT( 196 ) ! xCO+NO3=CO+NO3\n & + 5.0000D-01 * RXRAT( 197 ) ! xCO+MEO2=0.5000D+00*CO+MEO2\n & + 5.0000D-01 * RXRAT( 198 ) ! xCO+RO2C=0.5000D+00*CO+RO2C\n & + 5.0000D-01 * RXRAT( 199 ) ! xCO+RO2XC=0.5000D+00*CO+RO2XC\n & + RXRAT( 200 ) ! xCO+MECO3=CO+MECO3\n & + RXRAT( 201 ) ! xCO+RCO3=CO+RCO3\n & + RXRAT( 202 ) ! xCO+BZCO3=CO+BZCO3\n & + RXRAT( 203 ) ! xCO+MACO3=CO+MACO3\n & + RXRAT( 204 ) ! HCHO=CO+0.2000D+01*HO2\n & + RXRAT( 205 ) ! HCHO=CO\n & + RXRAT( 206 ) ! HCHO+OH=CO+HO2\n & + RXRAT( 207 ) ! HCHO+NO3=CO+HO2+HNO3\n & + RXRAT( 209 ) ! CCHO=CO+HO2+MEO2\n & + RXRAT( 212 ) ! RCHO=CO+xHO2+yROOH+xCCHO+...\n & + 3.8000D-01 * RXRAT( 215 ) ! ACETONE=0.3800D+00*CO+...\n & + 2.0000D+00 * RXRAT( 230 ) ! GLY=0.2000D+01*CO+0.2000D+...\n & + RXRAT( 231 ) ! GLY=CO+HCHO\n & + 1.4000D+00 * RXRAT( 232 ) ! GLY+OH=0.1400D+01*CO+...\n & + 1.4000D+00 * RXRAT( 233 ) ! GLY+NO3=0.1400D+01*CO+...\n & + RXRAT( 234 ) ! MGLY=CO+HO2+MECO3\n & + RXRAT( 235 ) ! MGLY+OH=CO+MECO3\n & + RXRAT( 236 ) ! MGLY+NO3=CO+HNO3+MECO3\n & + 5.2200D-01 * RXRAT( 247 ) ! AFG1+O3=0.5220D+00*CO+...\n & + 6.9500D-01 * RXRAT( 248 ) ! AFG1=0.6950D+00*CO+0.1730D+...\n & + 5.2200D-01 * RXRAT( 250 ) ! AFG2+O3=0.5220D+00*CO+...\n & + 5.8000D-01 * RXRAT( 253 ) ! AFG3+O3=0.5800D+00*CO+...\n & + 4.5000D-01 * RXRAT( 255 ) ! MACR+O3=0.4500D+00*CO+...\n & + 6.7000D-01 * RXRAT( 258 ) ! MACR=0.6700D+00*CO+0.6700D+...\n & + 4.7500D-01 * RXRAT( 260 ) ! MVK+O3=0.4750D+00*CO+...\n & + 6.0000D-01 * RXRAT( 262 ) ! MVK=0.6000D+00*CO+0.4000D+...\n & + 4.9800D-01 * RXRAT( 264 ) ! IPRD+O3=0.4980D+00*CO+...\n & + 1.2330D+00 * RXRAT( 266 ) ! IPRD=0.1233D+01*CO+0.4670D+...\n & + RXRAT( 272 ) ! HOCCHO=CO+0.2000D+01*HO2+HCHO\n & + 1.0050D+00 * RXRAT( 275 ) ! ACROLEIN+O3=0.1005D+01*CO+...\n & + 1.1880D+00 * RXRAT( 278 ) ! ACROLEIN=0.1188D+01*CO+...\n & + RXRAT( 283 ) ! HCOCO3+NO=CO+HO2+CO2+NO2\n & + RXRAT( 284 ) ! HCOCO3+NO2=CO+HO2+CO2+NO3\n & + 4.4000D-01 * RXRAT( 285 ) ! HCOCO3+HO2=0.4400D+00*CO+...\n & + 5.1000D-01 * RXRAT( 528 ) ! ETHENE+O3=0.5100D+00*CO+...\n & + 5.1000D-01 * RXRAT( 530 ) ! ETHENE+O3P=0.5100D+00*CO+...\n & + 5.2500D-01 * RXRAT( 532 ) ! PROPENE+O3=0.5250D+00*CO+...\n & + 2.5500D-01 * RXRAT( 536 ) ! BUTADIENE13+O3=0.2550D+...\n & + 2.7500D-01 * RXRAT( 540 ) ! ISOPRENE+O3=0.2750D+00*CO+...\n & + 2.5100D-01 * RXRAT( 547 ) ! IEPOXOO+HO2=0.2510D+00*CO+...\n & + 2.5100D-01 * RXRAT( 548 ) ! IEPOXOO+NO=0.2510D+00*CO+...\n & + 1.2600D-01 * RXRAT( 549 ) ! IEPOXOO+MEO2=0.1260D+00*CO+...\n & + 1.2600D-01 * RXRAT( 550 ) ! IEPOXOO+RO2C=0.1260D+00*CO+...\n & + 2.5100D-01 * RXRAT( 551 ) ! IEPOXOO+MECO3=0.2510D+...\n & + 2.9000D-02 * RXRAT( 553 ) ! APIN+O3=0.2900D-01*CO+...\n & + 3.0000D-01 * RXRAT( 556 ) ! ACETYLENE+OH=0.3000D+00*CO+...\n & + 1.5000D+00 * RXRAT( 557 ) ! ACETYLENE+O3=0.1500D+01*CO+...\n & + 3.0300D-01 * RXRAT( 572 ) ! OLE1+O3=0.3030D+00*CO+...\n & + 2.9900D-01 * RXRAT( 576 ) ! OLE2+O3=0.2990D+00*CO+...\n & + 2.4900D-01 * RXRAT( 583 ) ! TERP+O3=0.2490D+00*CO+...\n & + 2.4900D-01 * RXRAT( 587 ) ! SESQ+O3=0.2490D+00*CO+...\n & + RXRAT( 612 ) ! HCHO+CL=CO+HO2+HCL\n & + 1.2600D+00 * RXRAT( 620 ) ! GLY+CL=0.1260D+01*CO+...\n & + RXRAT( 621 ) ! MGLY+CL=CO+HCL+MECO3\n & + RXRAT( 631 ) ! CLCCHO=CO+HO2+RO2C+xCL+...\n & + RXRAT( 671 ) ! ACETYLENE+CL=CO+HO2\n LOSS( CO ) = RXRAT( 29 ) ! CO+OH=HO2+CO2\n\n PROD( CO2 ) = RXRAT( 29 ) ! OH+CO=CO2+HO2\n & + 4.0000D-01 * RXRAT( 65 ) ! PAN=0.4000D+00*CO2+0.6000D+...\n & + RXRAT( 66 ) ! MECO3+NO=CO2+MEO2+NO2\n & + 4.4000D-01 * RXRAT( 67 ) ! MECO3+HO2=0.4400D+00*CO2+...\n & + RXRAT( 68 ) ! MECO3+NO3=CO2+MEO2+NO2\n & + 9.0000D-01 * RXRAT( 69 ) ! MECO3+MEO2=0.9000D+00*CO2+...\n & + RXRAT( 70 ) ! MECO3+RO2C=CO2+MEO2\n & + RXRAT( 71 ) ! MECO3+RO2XC=CO2+MEO2\n & + 2.0000D+00 * RXRAT( 72 ) ! MECO3+MECO3=0.2000D+01*CO2+...\n & + 4.0000D-01 * RXRAT( 75 ) ! PAN2=0.4000D+00*CO2+...\n & + RXRAT( 76 ) ! RCO3+NO=CO2+RO2C+xHO2+...\n & + 4.4000D-01 * RXRAT( 77 ) ! RCO3+HO2=0.4400D+00*CO2+...\n & + RXRAT( 78 ) ! RCO3+NO3=CO2+RO2C+xHO2+...\n & + RXRAT( 79 ) ! RCO3+MEO2=CO2+HO2+RO2C+...\n & + RXRAT( 80 ) ! RCO3+RO2C=CO2+xHO2+xCCHO+...\n & + RXRAT( 81 ) ! RCO3+RO2XC=CO2+xHO2+xCCHO+...\n & + 2.0000D+00 * RXRAT( 82 ) ! RCO3+MECO3=0.2000D+01*CO2+...\n & + 2.0000D+00 * RXRAT( 83 ) ! RCO3+RCO3=0.2000D+01*CO2+...\n & + 4.0000D-01 * RXRAT( 86 ) ! PBZN=0.4000D+00*CO2+...\n & + RXRAT( 87 ) ! BZCO3+NO=CO2+NO2+BZO+RO2C\n & + 4.4000D-01 * RXRAT( 88 ) ! BZCO3+HO2=0.4400D+00*CO2+...\n & + RXRAT( 89 ) ! BZCO3+NO3=CO2+NO2+BZO+RO2C\n & + RXRAT( 90 ) ! BZCO3+MEO2=CO2+HO2+RO2C+...\n & + RXRAT( 91 ) ! BZCO3+RO2C=CO2+BZO+RO2C\n & + RXRAT( 92 ) ! BZCO3+RO2XC=CO2+BZO+RO2C\n & + 2.0000D+00 * RXRAT( 93 ) ! BZCO3+MECO3=0.2000D+01*CO2+...\n & + 2.0000D+00 * RXRAT( 94 ) ! BZCO3+RCO3=0.2000D+01*CO2+...\n & + 2.0000D+00 * RXRAT( 95 ) ! BZCO3+BZCO3=0.2000D+01*CO2+...\n & + 4.0000D-01 * RXRAT( 98 ) ! MAPAN=0.4000D+00*CO2+...\n & + RXRAT( 99 ) ! MACO3+NO=CO2+NO2+HCHO+MECO3\n & + 4.4000D-01 * RXRAT( 100 ) ! MACO3+HO2=0.4400D+00*CO2+...\n & + RXRAT( 101 ) ! MACO3+NO3=CO2+NO2+HCHO+MECO3\n & + RXRAT( 102 ) ! MACO3+MEO2=CO2+HO2+0.2000D+...\n & + RXRAT( 103 ) ! MACO3+RO2C=CO2+HCHO+MECO3\n & + RXRAT( 104 ) ! MACO3+RO2XC=CO2+HCHO+MECO3\n & + 2.0000D+00 * RXRAT( 105 ) ! MACO3+MECO3=0.2000D+01*CO2+...\n & + 2.0000D+00 * RXRAT( 106 ) ! MACO3+RCO3=0.2000D+01*CO2+...\n & + 2.0000D+00 * RXRAT( 107 ) ! MACO3+BZCO3=0.2000D+01*CO2+...\n & + 2.0000D+00 * RXRAT( 108 ) ! MACO3+MACO3=0.2000D+01*CO2+...\n & + RXRAT( 219 ) ! HCOOH+OH=CO2+HO2\n & + 5.0900D-01 * RXRAT( 220 ) ! CCOOH+OH=0.5090D+00*CO2+...\n & + 1.4300D-01 * RXRAT( 221 ) ! RCOOH+OH=0.1430D+00*CO2+...\n & + 1.7400D-01 * RXRAT( 247 ) ! AFG1+O3=0.1740D+00*CO2+...\n & + 1.7400D-01 * RXRAT( 250 ) ! AFG2+O3=0.1740D+00*CO2+...\n & + 1.9000D-01 * RXRAT( 253 ) ! AFG3+O3=0.1900D+00*CO2+...\n & + 1.1700D-01 * RXRAT( 255 ) ! MACR+O3=0.1170D+00*CO2+...\n & + 1.2400D-01 * RXRAT( 260 ) ! MVK+O3=0.1240D+00*CO2+...\n & + 1.4000D-01 * RXRAT( 264 ) ! IPRD+O3=0.1400D+00*CO2+...\n & + 3.1000D-01 * RXRAT( 275 ) ! ACROLEIN+O3=0.3100D+00*CO2+...\n & + 1.0200D-01 * RXRAT( 278 ) ! ACROLEIN=0.1020D+00*CO2+...\n & + 2.0000D-02 * RXRAT( 279 ) ! CCOOOH+OH=0.2000D-01*CO2+...\n & + RXRAT( 280 ) ! CCOOOH=CO2+MEO2+OH\n & + 1.1000D-01 * RXRAT( 281 ) ! RCOOOH+OH=0.1100D+00*CO2+...\n & + RXRAT( 282 ) ! RCOOOH=CO2+xCCHO+yROOH+xHO2+OH\n & + RXRAT( 283 ) ! HCOCO3+NO=CO2+CO+HO2+NO2\n & + RXRAT( 284 ) ! HCOCO3+NO2=CO2+CO+HO2+NO3\n & + 4.4000D-01 * RXRAT( 285 ) ! HCOCO3+HO2=0.4400D+00*CO2+...\n & + 1.2000D-01 * RXRAT( 528 ) ! ETHENE+O3=0.1200D+00*CO2+...\n & + 2.1500D-01 * RXRAT( 532 ) ! PROPENE+O3=0.2150D+00*CO2+...\n & + 1.8500D-01 * RXRAT( 536 ) ! BUTADIENE13+O3=0.1850D+...\n & + 1.2200D-01 * RXRAT( 540 ) ! ISOPRENE+O3=0.1220D+00*CO2+...\n & + 2.0000D-01 * RXRAT( 547 ) ! IEPOXOO+HO2=0.2000D+00*CO2+...\n & + 2.0000D-01 * RXRAT( 548 ) ! IEPOXOO+NO=0.2000D+00*CO2+...\n & + 1.0000D-01 * RXRAT( 549 ) ! IEPOXOO+MEO2=0.1000D+...\n & + 1.0000D-01 * RXRAT( 550 ) ! IEPOXOO+RO2C=0.1000D+...\n & + 1.2000D+00 * RXRAT( 551 ) ! IEPOXOO+MECO3=0.1200D+...\n & + 1.7000D-02 * RXRAT( 553 ) ! APIN+O3=0.1700D-01*CO2+...\n & + 5.0000D-01 * RXRAT( 557 ) ! ACETYLENE+O3=0.5000D+...\n & + 8.8000D-02 * RXRAT( 572 ) ! OLE1+O3=0.8800D-01*CO2+...\n & + 1.6100D-01 * RXRAT( 576 ) ! OLE2+O3=0.1610D+00*CO2+...\n & + 6.3000D-02 * RXRAT( 583 ) ! TERP+O3=0.6300D-01*CO2+...\n & + 6.3000D-02 * RXRAT( 587 ) ! SESQ+O3=0.6300D-01*CO2+...\n LOSS( CO2 ) = 0.0D0\n\n PROD( HO2H ) = RXRAT( 37 ) ! HO2+HO2=HO2H\n & + RXRAT( 38 ) ! HO2+HO2=HO2H\n LOSS( HO2H ) = RXRAT( 41 ) ! HO2H=0.2000D+01*OH\n & + RXRAT( 42 ) ! HO2H+OH=HO2\n\n PROD( SO2 ) = 0.0D0\n LOSS( SO2 ) = RXRAT( 44 ) ! SO2+OH=HO2+SULF+SULRXN\n\n PROD( SULF ) = RXRAT( 44 ) ! OH+SO2=SULF+HO2+SULRXN\n LOSS( SULF ) = 0.0D0\n\n PROD( SULRXN ) = RXRAT( 44 ) ! OH+SO2=SULRXN+SULF+HO2\n LOSS( SULRXN ) = 0.0D0\n\n PROD( MEO2 ) = 4.0000D-01 * RXRAT( 65 ) ! PAN=0.4000D+00*MEO2+...\n & + RXRAT( 66 ) ! MECO3+NO=MEO2+CO2+NO2\n & + 4.4000D-01 * RXRAT( 67 ) ! MECO3+HO2=0.4400D+00*MEO2+...\n & + RXRAT( 68 ) ! MECO3+NO3=MEO2+CO2+NO2\n & + RXRAT( 70 ) ! MECO3+RO2C=MEO2+CO2\n & + RXRAT( 71 ) ! MECO3+RO2XC=MEO2+CO2\n & + 2.0000D+00 * RXRAT( 72 ) ! MECO3+MECO3=0.2000D+...\n & + RXRAT( 82 ) ! RCO3+MECO3=MEO2+0.2000D+...\n & + RXRAT( 93 ) ! BZCO3+MECO3=MEO2+0.2000D+...\n & + RXRAT( 105 ) ! MACO3+MECO3=MEO2+0.2000D+...\n & + RXRAT( 110 ) ! TBUO=MEO2+ACETONE\n & + RXRAT( 144 ) ! xMEO2+NO=MEO2+NO\n & + RXRAT( 146 ) ! xMEO2+NO3=MEO2+NO3\n & + 5.0000D-01 * RXRAT( 147 ) ! xMEO2+MEO2=0.1500D+01*MEO2\n & + 5.0000D-01 * RXRAT( 148 ) ! xMEO2+RO2C=0.5000D+00*MEO2+...\n & + 5.0000D-01 * RXRAT( 149 ) ! xMEO2+RO2XC=0.5000D+...\n & + RXRAT( 150 ) ! xMEO2+MECO3=MEO2+MECO3\n & + RXRAT( 151 ) ! xMEO2+RCO3=MEO2+RCO3\n & + RXRAT( 152 ) ! xMEO2+BZCO3=MEO2+BZCO3\n & + RXRAT( 153 ) ! xMEO2+MACO3=MEO2+MACO3\n & + RXRAT( 209 ) ! CCHO=MEO2+HO2+CO\n & + 1.3800D+00 * RXRAT( 215 ) ! ACETONE=0.1380D+01*MEO2+...\n & + 5.0900D-01 * RXRAT( 220 ) ! CCOOH+OH=0.5090D+00*MEO2+...\n & + 7.0000D-01 * RXRAT( 222 ) ! COOH+OH=0.7000D+00*MEO2+...\n & + 1.7300D-01 * RXRAT( 248 ) ! AFG1=0.1730D+00*MEO2+...\n & + 4.0000D-01 * RXRAT( 262 ) ! MVK=0.4000D+00*MEO2+...\n & + 2.3400D-01 * RXRAT( 278 ) ! ACROLEIN=0.2340D+00*MEO2+...\n & + RXRAT( 280 ) ! CCOOOH=MEO2+CO2+OH\n & + RXRAT( 526 ) ! OH=MEO2\n & + 5.1000D-01 * RXRAT( 530 ) ! ETHENE+O3P=0.5100D+00*MEO2+...\n & + 3.5500D-01 * RXRAT( 532 ) ! PROPENE+O3=0.3550D+00*MEO2+...\n & + 2.5000D-01 * RXRAT( 542 ) ! ISOPRENE+O3P=0.2500D+...\n & + RXRAT( 551 ) ! IEPOXOO+MECO3=MEO2+0.2750D+...\n & + 3.0700D-01 * RXRAT( 576 ) ! OLE2+O3=0.3070D+00*MEO2+...\n & + RXRAT( 665 ) ! CL=MEO2+HCL\n LOSS( MEO2 ) = RXRAT( 46 ) ! MEO2+NO=NO2+HCHO+HO2\n & + RXRAT( 47 ) ! MEO2+HO2=COOH\n & + RXRAT( 48 ) ! MEO2+HO2=HCHO\n & + RXRAT( 49 ) ! MEO2+NO3=HCHO+HO2+NO2\n & + 2.0000D+00 * RXRAT( 50 ) ! MEO2+MEO2=MEOH+HCHO\n & + 2.0000D+00 * RXRAT( 51 ) ! MEO2+MEO2=0.2000D+01*HCHO+...\n & + RXRAT( 55 ) ! MEO2+RO2C=0.5000D+00*HO2+...\n & + RXRAT( 60 ) ! MEO2+RO2XC=0.5000D+00*HO2+...\n & + 1.0000D-01 * RXRAT( 69 ) ! MEO2+MECO3=0.9000D+00*MEO2+...\n & + RXRAT( 79 ) ! MEO2+RCO3=HCHO+HO2+RO2C+...\n & + RXRAT( 90 ) ! MEO2+BZCO3=HCHO+HO2+RO2C+...\n & + RXRAT( 102 ) ! MEO2+MACO3=0.2000D+01*HCHO+...\n & + RXRAT( 549 ) ! MEO2+IEPOXOO=0.3630D+...\n\n PROD( HCHO ) = RXRAT( 46 ) ! MEO2+NO=HCHO+NO2+HO2\n & + RXRAT( 48 ) ! MEO2+HO2=HCHO\n & + RXRAT( 49 ) ! MEO2+NO3=HCHO+HO2+NO2\n & + RXRAT( 50 ) ! MEO2+MEO2=HCHO+MEOH\n & + 2.0000D+00 * RXRAT( 51 ) ! MEO2+MEO2=0.2000D+01*HCHO+...\n & + 7.5000D-01 * RXRAT( 55 ) ! RO2C+MEO2=0.7500D+00*HCHO+...\n & + 7.5000D-01 * RXRAT( 60 ) ! RO2XC+MEO2=0.7500D+00*HCHO+...\n & + RXRAT( 69 ) ! MECO3+MEO2=HCHO+0.1000D+...\n & + RXRAT( 79 ) ! RCO3+MEO2=HCHO+HO2+RO2C+...\n & + RXRAT( 90 ) ! BZCO3+MEO2=HCHO+HO2+RO2C+...\n & + 4.0000D-01 * RXRAT( 98 ) ! MAPAN=0.4000D+00*HCHO+...\n & + RXRAT( 99 ) ! MACO3+NO=HCHO+CO2+NO2+MECO3\n & + 4.4000D-01 * RXRAT( 100 ) ! MACO3+HO2=0.4400D+00*HCHO+...\n & + RXRAT( 101 ) ! MACO3+NO3=HCHO+CO2+NO2+MECO3\n & + 2.0000D+00 * RXRAT( 102 ) ! MACO3+MEO2=0.2000D+01*HCHO+...\n & + RXRAT( 103 ) ! MACO3+RO2C=HCHO+CO2+MECO3\n & + RXRAT( 104 ) ! MACO3+RO2XC=HCHO+CO2+MECO3\n & + RXRAT( 105 ) ! MACO3+MECO3=HCHO+MEO2+...\n & + RXRAT( 106 ) ! MACO3+RCO3=HCHO+MECO3+RO2C+...\n & + RXRAT( 107 ) ! MACO3+BZCO3=HCHO+MECO3+BZO+...\n & + 2.0000D+00 * RXRAT( 108 ) ! MACO3+MACO3=0.2000D+...\n & + RXRAT( 218 ) ! MEOH+OH=HCHO+HO2\n & + 3.0000D-01 * RXRAT( 222 ) ! COOH+OH=0.3000D+00*HCHO+...\n & + RXRAT( 223 ) ! COOH=HCHO+HO2+OH\n & + RXRAT( 231 ) ! GLY=HCHO+CO\n & + 1.0000D-01 * RXRAT( 255 ) ! MACR+O3=0.1000D+00*HCHO+...\n & + 3.4000D-01 * RXRAT( 258 ) ! MACR=0.3400D+00*HCHO+...\n & + 5.0000D-02 * RXRAT( 260 ) ! MVK+O3=0.5000D-01*HCHO+...\n & + 1.2400D-01 * RXRAT( 264 ) ! IPRD+O3=0.1240D+00*HCHO+...\n & + 3.0000D-01 * RXRAT( 266 ) ! IPRD=0.3000D+00*HCHO+...\n & + 2.0000D-03 * RXRAT( 267 ) ! PRD2+OH=0.2000D-02*HCHO+...\n & + 7.4000D-02 * RXRAT( 270 ) ! RNO3=0.7400D-01*HCHO+...\n & + RXRAT( 272 ) ! HOCCHO=HCHO+0.2000D+01*HO2+CO\n & + 5.0000D-01 * RXRAT( 275 ) ! ACROLEIN+O3=0.5000D+...\n & + 3.4000D-01 * RXRAT( 278 ) ! ACROLEIN=0.3400D+00*HCHO+...\n & + RXRAT( 286 ) ! xHCHO+NO=HCHO+NO\n & + RXRAT( 288 ) ! xHCHO+NO3=HCHO+NO3\n & + 5.0000D-01 * RXRAT( 289 ) ! xHCHO+MEO2=0.5000D+00*HCHO+...\n & + 5.0000D-01 * RXRAT( 290 ) ! xHCHO+RO2C=0.5000D+00*HCHO+...\n & + 5.0000D-01 * RXRAT( 291 ) ! xHCHO+RO2XC=0.5000D+...\n & + RXRAT( 292 ) ! xHCHO+MECO3=HCHO+MECO3\n & + RXRAT( 293 ) ! xHCHO+RCO3=HCHO+RCO3\n & + RXRAT( 294 ) ! xHCHO+BZCO3=HCHO+BZCO3\n & + RXRAT( 295 ) ! xHCHO+MACO3=HCHO+MACO3\n & + RXRAT( 528 ) ! ETHENE+O3=HCHO+0.1600D+...\n & + 5.0000D-01 * RXRAT( 532 ) ! PROPENE+O3=0.5000D+00*HCHO+...\n & + 5.0000D-01 * RXRAT( 536 ) ! BUTADIENE13+O3=0.5000D+...\n & + 4.0000D-01 * RXRAT( 540 ) ! ISOPRENE+O3=0.4000D+...\n & + 7.5000D-01 * RXRAT( 545 ) ! ISOPOOH=0.7500D+00*HCHO+...\n & + 3.7500D-01 * RXRAT( 547 ) ! IEPOXOO+HO2=0.3750D+...\n & + 3.7500D-01 * RXRAT( 548 ) ! IEPOXOO+NO=0.3750D+00*HCHO+...\n & + 9.3800D-01 * RXRAT( 549 ) ! IEPOXOO+MEO2=0.9380D+...\n & + 1.8800D-01 * RXRAT( 550 ) ! IEPOXOO+RO2C=0.1880D+...\n & + 3.7500D-01 * RXRAT( 551 ) ! IEPOXOO+MECO3=0.3750D+...\n & + 5.0000D-01 * RXRAT( 572 ) ! OLE1+O3=0.5000D+00*HCHO+...\n & + 1.3100D-01 * RXRAT( 576 ) ! OLE2+O3=0.1310D+00*HCHO+...\n & + 1.2700D-01 * RXRAT( 583 ) ! TERP+O3=0.1270D+00*HCHO+...\n & + 1.2700D-01 * RXRAT( 587 ) ! SESQ+O3=0.1270D+00*HCHO+...\n & + RXRAT( 614 ) ! MEOH+CL=HCHO+HCL+HO2\n LOSS( HCHO ) = RXRAT( 204 ) ! HCHO=0.2000D+01*HO2+CO\n & + RXRAT( 205 ) ! HCHO=CO\n & + RXRAT( 206 ) ! HCHO+OH=HO2+CO\n & + RXRAT( 207 ) ! HCHO+NO3=HNO3+HO2+CO\n & + RXRAT( 612 ) ! HCHO+CL=HCL+HO2+CO\n\n PROD( COOH ) = RXRAT( 47 ) ! MEO2+HO2=COOH\n LOSS( COOH ) = RXRAT( 222 ) ! COOH+OH=0.3000D+00*HCHO+...\n & + RXRAT( 223 ) ! COOH=HCHO+HO2+OH\n\n PROD( MEOH ) = RXRAT( 50 ) ! MEO2+MEO2=MEOH+HCHO\n & + 2.5000D-01 * RXRAT( 55 ) ! RO2C+MEO2=0.2500D+00*MEOH+...\n & + 2.5000D-01 * RXRAT( 60 ) ! RO2XC+MEO2=0.2500D+00*MEOH+...\n & + 2.5000D-01 * RXRAT( 549 ) ! IEPOXOO+MEO2=0.2500D+...\n LOSS( MEOH ) = RXRAT( 218 ) ! MEOH+OH=HCHO+HO2\n & + RXRAT( 614 ) ! MEOH+CL=HCL+HCHO+HO2\n\n PROD( RO2C ) = 4.0000D-01 * RXRAT( 75 ) ! PAN2=0.4000D+00*RO2C+...\n & + RXRAT( 76 ) ! RCO3+NO=RO2C+NO2+xHO2+...\n & + 4.4000D-01 * RXRAT( 77 ) ! RCO3+HO2=0.4400D+00*RO2C+...\n & + RXRAT( 78 ) ! RCO3+NO3=RO2C+NO2+xHO2+...\n & + RXRAT( 79 ) ! RCO3+MEO2=RO2C+HO2+HCHO+...\n & + RXRAT( 81 ) ! RCO3+RO2XC=RO2C+xHO2+xCCHO+...\n & + RXRAT( 82 ) ! RCO3+MECO3=RO2C+MEO2+...\n & + 2.0000D+00 * RXRAT( 83 ) ! RCO3+RCO3=0.2000D+01*RO2C+...\n & + 4.0000D-01 * RXRAT( 86 ) ! PBZN=0.4000D+00*RO2C+...\n & + RXRAT( 87 ) ! BZCO3+NO=RO2C+CO2+BZO+NO2\n & + 4.4000D-01 * RXRAT( 88 ) ! BZCO3+HO2=0.4400D+00*RO2C+...\n & + RXRAT( 89 ) ! BZCO3+NO3=RO2C+CO2+BZO+NO2\n & + RXRAT( 90 ) ! BZCO3+MEO2=RO2C+HO2+HCHO+...\n & + RXRAT( 92 ) ! BZCO3+RO2XC=RO2C+BZO+CO2\n & + RXRAT( 93 ) ! BZCO3+MECO3=RO2C+MEO2+BZO+...\n & + 2.0000D+00 * RXRAT( 94 ) ! BZCO3+RCO3=0.2000D+01*RO2C+...\n & + 2.0000D+00 * RXRAT( 95 ) ! BZCO3+BZCO3=0.2000D+...\n & + RXRAT( 106 ) ! MACO3+RCO3=RO2C+MECO3+HCHO+...\n & + RXRAT( 107 ) ! MACO3+BZCO3=RO2C+MECO3+BZO+...\n & + RXRAT( 113 ) ! BZO=RO2C+CRES+xHO2\n & + 3.5000D-02 * RXRAT( 211 ) ! RCHO+OH=0.3500D-01*RO2C+...\n & + RXRAT( 212 ) ! RCHO=RO2C+xHO2+yROOH+xCCHO+...\n & + RXRAT( 214 ) ! ACETONE+OH=RO2C+xMECO3+...\n & + 9.6700D-01 * RXRAT( 216 ) ! MEK+OH=0.9670D+00*RO2C+...\n & + RXRAT( 217 ) ! MEK=RO2C+MECO3+xHO2+xCCHO+...\n & + 4.9100D-01 * RXRAT( 220 ) ! CCOOH+OH=0.4910D+00*RO2C+...\n & + RXRAT( 221 ) ! RCOOH+OH=RO2C+xHO2+0.1430D+...\n & + 2.5100D-01 * RXRAT( 224 ) ! ROOH+OH=0.2510D+00*RO2C+...\n & + 2.2200D-01 * RXRAT( 226 ) ! R6OOH+OH=0.2220D+00*RO2C+...\n & + 7.8200D-01 * RXRAT( 227 ) ! R6OOH=0.7820D+00*RO2C+...\n & + 5.8900D-01 * RXRAT( 228 ) ! RAOOH+OH=0.5890D+00*RO2C+...\n & + 8.0000D-01 * RXRAT( 238 ) ! CRES+OH=0.8000D+00*RO2C+...\n & + 7.2300D-01 * RXRAT( 246 ) ! AFG1+OH=0.7230D+00*RO2C+...\n & + 6.5200D-01 * RXRAT( 247 ) ! AFG1+O3=0.6520D+00*RO2C+...\n & + 7.2300D-01 * RXRAT( 249 ) ! AFG2+OH=0.7230D+00*RO2C+...\n & + 6.5200D-01 * RXRAT( 250 ) ! AFG2+O3=0.6520D+00*RO2C+...\n & + 7.3300D-01 * RXRAT( 252 ) ! AFG3+OH=0.7330D+00*RO2C+...\n & + 2.5800D-01 * RXRAT( 253 ) ! AFG3+O3=0.2580D+00*RO2C+...\n & + 5.0000D-01 * RXRAT( 254 ) ! MACR+OH=0.5000D+00*RO2C+...\n & + 1.0000D-01 * RXRAT( 255 ) ! MACR+O3=0.1000D+00*RO2C+...\n & + 5.0000D-01 * RXRAT( 256 ) ! MACR+NO3=0.5000D+00*RO2C+...\n & + 3.3000D-01 * RXRAT( 258 ) ! MACR=0.3300D+00*RO2C+...\n & + 9.7500D-01 * RXRAT( 259 ) ! MVK+OH=0.9750D+00*RO2C+...\n & + 5.0000D-02 * RXRAT( 260 ) ! MVK+O3=0.5000D-01*RO2C+...\n & + 6.7000D-01 * RXRAT( 263 ) ! IPRD+OH=0.6700D+00*RO2C+...\n & + 4.8000D-02 * RXRAT( 264 ) ! IPRD+O3=0.4800D-01*RO2C+...\n & + 7.9900D-01 * RXRAT( 265 ) ! IPRD+NO3=0.7990D+00*RO2C+...\n & + 4.7300D-01 * RXRAT( 267 ) ! PRD2+OH=0.4730D+00*RO2C+...\n & + 1.5900D+00 * RXRAT( 268 ) ! PRD2=0.1590D+01*RO2C+...\n & + 9.7600D-01 * RXRAT( 269 ) ! RNO3+OH=0.9760D+00*RO2C+...\n & + 7.2100D-01 * RXRAT( 270 ) ! RNO3=0.7210D+00*RO2C+...\n & + 2.5000D-01 * RXRAT( 274 ) ! ACROLEIN+OH=0.2500D+...\n & + 3.1000D-02 * RXRAT( 276 ) ! ACROLEIN+NO3=0.3100D-...\n & + 2.0000D-02 * RXRAT( 279 ) ! CCOOOH+OH=0.2000D-01*RO2C+...\n & + 1.9400D-01 * RXRAT( 281 ) ! RCOOOH+OH=0.1940D+00*RO2C+...\n & + RXRAT( 527 ) ! ETHENE+OH=RO2C+xHO2+...\n & + RXRAT( 529 ) ! ETHENE+NO3=RO2C+xHO2+xRCHO+...\n & + 2.9000D-01 * RXRAT( 530 ) ! ETHENE+O3P=0.2900D+00*RO2C+...\n & + 9.8400D-01 * RXRAT( 531 ) ! PROPENE+OH=0.9840D+00*RO2C+...\n & + 9.4900D-01 * RXRAT( 533 ) ! PROPENE+NO3=0.9490D+...\n & + 1.1890D+00 * RXRAT( 535 ) ! BUTADIENE13+OH=0.1189D+...\n & + 1.0550D+00 * RXRAT( 537 ) ! BUTADIENE13+NO3=0.1055D+...\n & + 2.3500D-01 * RXRAT( 538 ) ! BUTADIENE13+O3P=0.2350D+...\n & + 9.8600D-01 * RXRAT( 539 ) ! ISOPRENE+OH=0.9860D+...\n & + 1.9200D-01 * RXRAT( 540 ) ! ISOPRENE+O3=0.1920D+...\n & + 9.3600D-01 * RXRAT( 541 ) ! ISOPRENE+NO3=0.9360D+...\n & + 2.4000D-01 * RXRAT( 542 ) ! ISOPRENE+O3P=0.2400D+...\n & + 3.5000D-01 * RXRAT( 544 ) ! ISOPOOH+OH=0.3500D+00*RO2C+...\n & + 9.0000D-02 * RXRAT( 545 ) ! ISOPOOH=0.9000D-01*RO2C+...\n & + 1.0420D+00 * RXRAT( 552 ) ! APIN+OH=0.1042D+01*RO2C+...\n & + 1.5110D+00 * RXRAT( 553 ) ! APIN+O3=0.1511D+01*RO2C+...\n & + 1.0500D+00 * RXRAT( 554 ) ! APIN+NO3=0.1050D+01*RO2C+...\n & + 2.9000D-01 * RXRAT( 558 ) ! BENZENE+OH=0.2900D+00*RO2C+...\n & + 4.5400D-01 * RXRAT( 559 ) ! TOLUENE+OH=0.4540D+00*RO2C+...\n & + 5.2000D-01 * RXRAT( 560 ) ! MXYL+OH=0.5200D+00*RO2C+...\n & + 5.5400D-01 * RXRAT( 561 ) ! OXYL+OH=0.5540D+00*RO2C+...\n & + 4.8700D-01 * RXRAT( 562 ) ! PXYL+OH=0.4870D+00*RO2C+...\n & + 6.2700D-01 * RXRAT( 563 ) ! TMBENZ124+OH=0.6270D+...\n & + 5.0000D-02 * RXRAT( 564 ) ! ETOH+OH=0.5000D-01*RO2C+...\n & + RXRAT( 565 ) ! ALK1+OH=RO2C+xHO2+xCCHO+yROOH\n & + 9.6500D-01 * RXRAT( 566 ) ! ALK2+OH=0.9650D+00*RO2C+...\n & + 1.2530D+00 * RXRAT( 567 ) ! ALK3+OH=0.1253D+01*RO2C+...\n & + 1.7630D+00 * RXRAT( 568 ) ! ALK4+OH=0.1763D+01*RO2C+...\n & + 1.6050D+00 * RXRAT( 569 ) ! ALK5+OH=0.1605D+01*RO2C+...\n & + 1.2020D+00 * RXRAT( 571 ) ! OLE1+OH=0.1202D+01*RO2C+...\n & + 9.0000D-02 * RXRAT( 572 ) ! OLE1+O3=0.9000D-01*RO2C+...\n & + 1.4630D+00 * RXRAT( 573 ) ! OLE1+NO3=0.1463D+01*RO2C+...\n & + 9.5300D-01 * RXRAT( 575 ) ! OLE2+OH=0.9530D+00*RO2C+...\n & + 2.1200D-01 * RXRAT( 576 ) ! OLE2+O3=0.2120D+00*RO2C+...\n & + 1.1930D+00 * RXRAT( 577 ) ! OLE2+NO3=0.1193D+01*RO2C+...\n & + 5.6600D-01 * RXRAT( 579 ) ! ARO1+OH=0.5660D+00*RO2C+...\n & + 6.1700D-01 * RXRAT( 580 ) ! ARO2MN+OH=0.6170D+00*RO2C+...\n & + 6.1700D-01 * RXRAT( 581 ) ! NAPHTHAL+OH=0.6170D+...\n & + 1.2110D+00 * RXRAT( 582 ) ! TERP+OH=0.1211D+01*RO2C+...\n & + 4.9000D-01 * RXRAT( 583 ) ! TERP+O3=0.4900D+00*RO2C+...\n & + 1.7860D+00 * RXRAT( 584 ) ! TERP+NO3=0.1786D+01*RO2C+...\n & + 1.2110D+00 * RXRAT( 586 ) ! SESQ+OH=0.1211D+01*RO2C+...\n & + 4.9000D-01 * RXRAT( 587 ) ! SESQ+O3=0.4900D+00*RO2C+...\n & + 1.7860D+00 * RXRAT( 588 ) ! SESQ+NO3=0.1786D+01*RO2C+...\n & + 1.0000D-01 * RXRAT( 615 ) ! RCHO+CL=0.1000D+00*RO2C+...\n & + RXRAT( 616 ) ! ACETONE+CL=RO2C+HCL+xHCHO+...\n & + 9.7500D-01 * RXRAT( 617 ) ! MEK+CL=0.9750D+00*RO2C+HCL+...\n & + 1.2820D+00 * RXRAT( 618 ) ! RNO3+CL=0.1282D+01*RO2C+...\n & + 6.8000D-01 * RXRAT( 619 ) ! PRD2+CL=0.6800D+00*RO2C+...\n & + 5.8800D-01 * RXRAT( 624 ) ! ROOH+CL=0.5880D+00*RO2C+...\n & + 1.0780D+00 * RXRAT( 625 ) ! R6OOH+CL=0.1078D+01*RO2C+...\n & + 5.8900D-01 * RXRAT( 626 ) ! RAOOH+CL=0.5890D+00*RO2C+...\n & + 1.0320D+00 * RXRAT( 627 ) ! ACROLEIN+CL=0.1032D+...\n & + 8.0200D-01 * RXRAT( 628 ) ! MACR+CL=0.8020D+00*RO2C+...\n & + 1.2830D+00 * RXRAT( 629 ) ! MVK+CL=0.1283D+01*RO2C+...\n & + 7.3000D-01 * RXRAT( 630 ) ! IPRD+CL=0.7300D+00*RO2C+...\n & + RXRAT( 631 ) ! CLCCHO=RO2C+CO+HO2+xCL+...\n & + RXRAT( 634 ) ! CLACET=RO2C+MECO3+xCL+...\n & + 2.0000D+00 * RXRAT( 666 ) ! ETHENE+CL=0.2000D+01*RO2C+...\n & + 9.7100D-01 * RXRAT( 667 ) ! PROPENE+CL=0.9710D+00*RO2C+...\n & + 1.8840D+00 * RXRAT( 668 ) ! BUTADIENE13+CL=0.1884D+...\n & + 1.1680D+00 * RXRAT( 669 ) ! ISOPRENE+CL=0.1168D+...\n & + 2.2580D+00 * RXRAT( 670 ) ! APIN+CL=0.2258D+01*RO2C+...\n & + 8.9400D-01 * RXRAT( 672 ) ! TOLUENE+CL=0.8940D+00*RO2C+...\n & + 8.6400D-01 * RXRAT( 673 ) ! MXYL+CL=0.8640D+00*RO2C+...\n & + 8.6400D-01 * RXRAT( 674 ) ! OXYL+CL=0.8640D+00*RO2C+...\n & + 8.6400D-01 * RXRAT( 675 ) ! PXYL+CL=0.8640D+00*RO2C+...\n & + 8.3800D-01 * RXRAT( 676 ) ! TMBENZ124+CL=0.8380D+...\n & + 3.1200D-01 * RXRAT( 677 ) ! ETOH+CL=0.3120D+00*RO2C+...\n & + RXRAT( 678 ) ! ALK1+CL=RO2C+xHO2+HCL+...\n & + 9.7000D-01 * RXRAT( 679 ) ! ALK2+CL=0.9700D+00*RO2C+...\n & + 1.3610D+00 * RXRAT( 680 ) ! ALK3+CL=0.1361D+01*RO2C+...\n & + 1.7370D+00 * RXRAT( 681 ) ! ALK4+CL=0.1737D+01*RO2C+...\n & + 1.5410D+00 * RXRAT( 682 ) ! ALK5+CL=0.1541D+01*RO2C+...\n & + 1.6080D+00 * RXRAT( 683 ) ! OLE1+CL=0.1608D+01*RO2C+...\n & + 1.4920D+00 * RXRAT( 684 ) ! OLE2+CL=0.1492D+01*RO2C+...\n & + 8.4000D-01 * RXRAT( 685 ) ! ARO1+CL=0.8400D+00*RO2C+...\n & + 8.2800D-01 * RXRAT( 686 ) ! ARO2MN+CL=0.8280D+00*RO2C+...\n & + 8.2800D-01 * RXRAT( 687 ) ! NAPHTHAL+CL=0.8280D+...\n & + 2.2580D+00 * RXRAT( 688 ) ! TERP+CL=0.2258D+01*RO2C+...\n & + 2.2580D+00 * RXRAT( 689 ) ! SESQ+CL=0.2258D+01*RO2C+...\n LOSS( RO2C ) = RXRAT( 52 ) ! RO2C+NO=NO2\n & + RXRAT( 53 ) ! RO2C+HO2=\n & + RXRAT( 54 ) ! RO2C+NO3=NO2\n & + RXRAT( 55 ) ! RO2C+MEO2=0.5000D+00*HO2+...\n & + 2.0000D+00 * RXRAT( 56 ) ! RO2C+RO2C=\n & + RXRAT( 61 ) ! RO2C+RO2XC=\n & + RXRAT( 70 ) ! RO2C+MECO3=MEO2+CO2\n & + RXRAT( 103 ) ! RO2C+MACO3=CO2+HCHO+MECO3\n & + RXRAT( 550 ) ! RO2C+IEPOXOO=0.3630D+...\n\n PROD( RO2XC ) = 3.9000D-02 * RXRAT( 216 ) ! MEK+OH=0.3900D-01*RO2XC+...\n & + 4.0000D-03 * RXRAT( 224 ) ! ROOH+OH=0.4000D-02*RO2XC+...\n & + 2.9000D-02 * RXRAT( 226 ) ! R6OOH+OH=0.2900D-01*RO2XC+...\n & + 7.7000D-02 * RXRAT( 227 ) ! R6OOH=0.7700D-01*RO2XC+...\n & + 1.2400D-01 * RXRAT( 228 ) ! RAOOH+OH=0.1240D+00*RO2XC+...\n & + 6.0000D-02 * RXRAT( 246 ) ! AFG1+OH=0.6000D-01*RO2XC+...\n & + 6.0000D-02 * RXRAT( 249 ) ! AFG2+OH=0.6000D-01*RO2XC+...\n & + 1.1700D-01 * RXRAT( 252 ) ! AFG3+OH=0.1170D+00*RO2XC+...\n & + 7.0000D-03 * RXRAT( 253 ) ! AFG3+O3=0.7000D-02*RO2XC+...\n & + 2.5000D-02 * RXRAT( 259 ) ! MVK+OH=0.2500D-01*RO2XC+...\n & + 4.1000D-02 * RXRAT( 263 ) ! IPRD+OH=0.4100D-01*RO2XC+...\n & + 5.1000D-02 * RXRAT( 265 ) ! IPRD+NO3=0.5100D-01*RO2XC+...\n & + 7.1000D-02 * RXRAT( 267 ) ! PRD2+OH=0.7100D-01*RO2XC+...\n & + 8.7000D-02 * RXRAT( 268 ) ! PRD2=0.8700D-01*RO2XC+...\n & + 1.7500D-01 * RXRAT( 269 ) ! RNO3+OH=0.1750D+00*RO2XC+...\n & + 1.0200D-01 * RXRAT( 270 ) ! RNO3=0.1020D+00*RO2XC+...\n & + 2.0000D-03 * RXRAT( 276 ) ! ACROLEIN+NO3=0.2000D-...\n & + 1.6000D-02 * RXRAT( 531 ) ! PROPENE+OH=0.1600D-...\n & + 5.1000D-02 * RXRAT( 533 ) ! PROPENE+NO3=0.5100D-...\n & + 4.9000D-02 * RXRAT( 535 ) ! BUTADIENE13+OH=0.4900D-...\n & + 6.5000D-02 * RXRAT( 537 ) ! BUTADIENE13+NO3=0.6500D-...\n & + 1.5000D-02 * RXRAT( 538 ) ! BUTADIENE13+O3P=0.1500D-...\n & + 9.3000D-02 * RXRAT( 539 ) ! ISOPRENE+OH=0.9300D-...\n & + 8.0000D-03 * RXRAT( 540 ) ! ISOPRENE+O3=0.8000D-...\n & + 6.4000D-02 * RXRAT( 541 ) ! ISOPRENE+NO3=0.6400D-...\n & + 1.0000D-02 * RXRAT( 542 ) ! ISOPRENE+O3P=0.1000D-...\n & + 1.9700D-01 * RXRAT( 552 ) ! APIN+OH=0.1970D+00*RO2XC+...\n & + 3.3700D-01 * RXRAT( 553 ) ! APIN+O3=0.3370D+00*RO2XC+...\n & + 2.9300D-01 * RXRAT( 554 ) ! APIN+NO3=0.2930D+00*RO2XC+...\n & + 2.4000D-02 * RXRAT( 558 ) ! BENZENE+OH=0.2400D-...\n & + 5.4000D-02 * RXRAT( 559 ) ! TOLUENE+OH=0.5400D-...\n & + 8.2000D-02 * RXRAT( 560 ) ! MXYL+OH=0.8200D-01*RO2XC+...\n & + 8.7000D-02 * RXRAT( 561 ) ! OXYL+OH=0.8700D-01*RO2XC+...\n & + 7.6000D-02 * RXRAT( 562 ) ! PXYL+OH=0.7600D-01*RO2XC+...\n & + 1.2100D-01 * RXRAT( 563 ) ! TMBENZ124+OH=0.1210D+...\n & + 3.5000D-02 * RXRAT( 566 ) ! ALK2+OH=0.3500D-01*RO2XC+...\n & + 7.0000D-02 * RXRAT( 567 ) ! ALK3+OH=0.7000D-01*RO2XC+...\n & + 1.4900D-01 * RXRAT( 568 ) ! ALK4+OH=0.1490D+00*RO2XC+...\n & + 3.5300D-01 * RXRAT( 569 ) ! ALK5+OH=0.3530D+00*RO2XC+...\n & + 1.2800D-01 * RXRAT( 571 ) ! OLE1+OH=0.1280D+00*RO2XC+...\n & + 5.0000D-03 * RXRAT( 572 ) ! OLE1+O3=0.5000D-02*RO2XC+...\n & + 2.2800D-01 * RXRAT( 573 ) ! OLE1+NO3=0.2280D+00*RO2XC+...\n & + 8.8000D-02 * RXRAT( 575 ) ! OLE2+OH=0.8800D-01*RO2XC+...\n & + 3.0000D-03 * RXRAT( 576 ) ! OLE2+O3=0.3000D-02*RO2XC+...\n & + 1.4000D-01 * RXRAT( 577 ) ! OLE2+NO3=0.1400D+00*RO2XC+...\n & + 1.1000D-01 * RXRAT( 579 ) ! ARO1+OH=0.1100D+00*RO2XC+...\n & + 1.2800D-01 * RXRAT( 580 ) ! ARO2MN+OH=0.1280D+00*RO2XC+...\n & + 1.2800D-01 * RXRAT( 581 ) ! NAPHTHAL+OH=0.1280D+...\n & + 2.0100D-01 * RXRAT( 582 ) ! TERP+OH=0.2010D+00*RO2XC+...\n & + 1.2100D-01 * RXRAT( 583 ) ! TERP+O3=0.1210D+00*RO2XC+...\n & + 4.6000D-01 * RXRAT( 584 ) ! TERP+NO3=0.4600D+00*RO2XC+...\n & + 2.0100D-01 * RXRAT( 586 ) ! SESQ+OH=0.2010D+00*RO2XC+...\n & + 1.2100D-01 * RXRAT( 587 ) ! SESQ+O3=0.1210D+00*RO2XC+...\n & + 4.6000D-01 * RXRAT( 588 ) ! SESQ+NO3=0.4600D+00*RO2XC+...\n & + 3.9000D-02 * RXRAT( 617 ) ! MEK+CL=0.3900D-01*RO2XC+...\n & + 2.0200D-01 * RXRAT( 618 ) ! RNO3+CL=0.2020D+00*RO2XC+...\n & + 1.1600D-01 * RXRAT( 619 ) ! PRD2+CL=0.1160D+00*RO2XC+...\n & + 1.1700D-01 * RXRAT( 625 ) ! R6OOH+CL=0.1170D+00*RO2XC+...\n & + 1.2400D-01 * RXRAT( 626 ) ! RAOOH+CL=0.1240D+00*RO2XC+...\n & + 2.6000D-02 * RXRAT( 627 ) ! ACROLEIN+CL=0.2600D-...\n & + 3.3000D-02 * RXRAT( 628 ) ! MACR+CL=0.3300D-01*RO2XC+...\n & + 5.3000D-02 * RXRAT( 629 ) ! MVK+CL=0.5300D-01*RO2XC+...\n & + 5.1000D-02 * RXRAT( 630 ) ! IPRD+CL=0.5100D-01*RO2XC+...\n & + 2.9000D-02 * RXRAT( 667 ) ! PROPENE+CL=0.2900D-...\n & + 6.9000D-02 * RXRAT( 668 ) ! BUTADIENE13+CL=0.6900D-...\n & + 8.5000D-02 * RXRAT( 669 ) ! ISOPRENE+CL=0.8500D-...\n & + 5.8200D-01 * RXRAT( 670 ) ! APIN+CL=0.5820D+00*RO2XC+...\n & + 1.0600D-01 * RXRAT( 672 ) ! TOLUENE+CL=0.1060D+...\n & + 1.3600D-01 * RXRAT( 673 ) ! MXYL+CL=0.1360D+00*RO2XC+...\n & + 1.3600D-01 * RXRAT( 674 ) ! OXYL+CL=0.1360D+00*RO2XC+...\n & + 1.3600D-01 * RXRAT( 675 ) ! PXYL+CL=0.1360D+00*RO2XC+...\n & + 1.6200D-01 * RXRAT( 676 ) ! TMBENZ124+CL=0.1620D+...\n & + 3.0000D-02 * RXRAT( 679 ) ! ALK2+CL=0.3000D-01*RO2XC+...\n & + 7.0000D-02 * RXRAT( 680 ) ! ALK3+CL=0.7000D-01*RO2XC+...\n & + 1.6500D-01 * RXRAT( 681 ) ! ALK4+CL=0.1650D+00*RO2XC+...\n & + 3.5200D-01 * RXRAT( 682 ) ! ALK5+CL=0.3520D+00*RO2XC+...\n & + 1.2700D-01 * RXRAT( 683 ) ! OLE1+CL=0.1270D+00*RO2XC+...\n & + 1.0600D-01 * RXRAT( 684 ) ! OLE2+CL=0.1060D+00*RO2XC+...\n & + 1.6000D-01 * RXRAT( 685 ) ! ARO1+CL=0.1600D+00*RO2XC+...\n & + 1.7200D-01 * RXRAT( 686 ) ! ARO2MN+CL=0.1720D+00*RO2XC+...\n & + 1.7200D-01 * RXRAT( 687 ) ! NAPHTHAL+CL=0.1720D+...\n & + 5.8200D-01 * RXRAT( 688 ) ! TERP+CL=0.5820D+00*RO2XC+...\n & + 5.8200D-01 * RXRAT( 689 ) ! SESQ+CL=0.5820D+00*RO2XC+...\n LOSS( RO2XC ) = RXRAT( 57 ) ! RO2XC+NO=\n & + RXRAT( 58 ) ! RO2XC+HO2=\n & + RXRAT( 59 ) ! RO2XC+NO3=NO2\n & + RXRAT( 60 ) ! RO2XC+MEO2=0.5000D+00*HO2+...\n & + RXRAT( 61 ) ! RO2XC+RO2C=\n & + 2.0000D+00 * RXRAT( 62 ) ! RO2XC+RO2XC=\n & + RXRAT( 71 ) ! RO2XC+MECO3=MEO2+CO2\n & + RXRAT( 81 ) ! RO2XC+RCO3=RO2C+xHO2+xCCHO+...\n & + RXRAT( 92 ) ! RO2XC+BZCO3=RO2C+BZO+CO2\n & + RXRAT( 104 ) ! RO2XC+MACO3=CO2+HCHO+MECO3\n\n PROD( CCOOOH ) = 1.0500D-01 * RXRAT( 67 ) ! MECO3+HO2=0.1050D+...\n LOSS( CCOOOH ) = RXRAT( 279 ) ! CCOOOH+OH=0.9800D+00*MECO3+...\n & + RXRAT( 280 ) ! CCOOOH=MEO2+CO2+OH\n\n PROD( CCOOH ) = 4.5000D-02 * RXRAT( 67 ) ! MECO3+HO2=0.4500D-01*CCOOH+...\n & + 1.0000D-01 * RXRAT( 69 ) ! MECO3+MEO2=0.1000D+...\n & + 5.0000D-02 * RXRAT( 278 ) ! ACROLEIN=0.5000D-01*CCOOH+...\n & + 7.5000D-02 * RXRAT( 532 ) ! PROPENE+O3=0.7500D-...\n & + 6.5000D-02 * RXRAT( 576 ) ! OLE2+O3=0.6500D-01*CCOOH+...\n LOSS( CCOOH ) = RXRAT( 220 ) ! CCOOH+OH=0.5090D+00*MEO2+...\n\n PROD( RCO3 ) = RXRAT( 74 ) ! PAN2=RCO3+NO2\n & + 6.0000D-01 * RXRAT( 75 ) ! PAN2=0.6000D+00*RCO3+...\n & + RXRAT( 164 ) ! xRCO3+NO=RCO3+NO\n & + RXRAT( 166 ) ! xRCO3+NO3=RCO3+NO3\n & + 5.0000D-01 * RXRAT( 167 ) ! xRCO3+MEO2=0.5000D+00*RCO3+...\n & + 5.0000D-01 * RXRAT( 168 ) ! xRCO3+RO2C=0.5000D+00*RCO3+...\n & + 5.0000D-01 * RXRAT( 169 ) ! xRCO3+RO2XC=0.5000D+...\n & + RXRAT( 170 ) ! xRCO3+MECO3=RCO3+MECO3\n & + RXRAT( 171 ) ! xRCO3+RCO3=0.2000D+01*RCO3\n & + RXRAT( 172 ) ! xRCO3+BZCO3=RCO3+BZCO3\n & + RXRAT( 173 ) ! xRCO3+MACO3=RCO3+MACO3\n & + 9.6500D-01 * RXRAT( 211 ) ! RCHO+OH=0.9650D+00*RCO3+...\n & + RXRAT( 213 ) ! RCHO+NO3=RCO3+HNO3\n & + 3.0000D-01 * RXRAT( 266 ) ! IPRD=0.3000D+00*RCO3+...\n & + 6.0000D-01 * RXRAT( 268 ) ! PRD2=0.6000D+00*RCO3+...\n & + 8.0600D-01 * RXRAT( 281 ) ! RCOOOH+OH=0.8060D+00*RCO3+...\n & + 9.0000D-01 * RXRAT( 615 ) ! RCHO+CL=0.9000D+00*RCO3+...\n & + 3.7000D-01 * RXRAT( 620 ) ! GLY+CL=0.3700D+00*RCO3+...\n & + RXRAT( 632 ) ! CLCCHO+OH=RCO3\n & + RXRAT( 633 ) ! CLCCHO+CL=RCO3+HCL\n LOSS( RCO3 ) = RXRAT( 73 ) ! RCO3+NO2=PAN2\n & + RXRAT( 76 ) ! RCO3+NO=NO2+RO2C+xHO2+...\n & + RXRAT( 77 ) ! RCO3+HO2=0.3075D+00*RCOOOH+...\n & + RXRAT( 78 ) ! RCO3+NO3=NO2+RO2C+xHO2+...\n & + RXRAT( 79 ) ! RCO3+MEO2=HCHO+HO2+RO2C+...\n & + RXRAT( 80 ) ! RCO3+RO2C=RO2C+xHO2+xCCHO+...\n & + RXRAT( 81 ) ! RCO3+RO2XC=RO2C+xHO2+xCCHO+...\n & + RXRAT( 82 ) ! RCO3+MECO3=0.2000D+01*CO2+...\n & + 2.0000D+00 * RXRAT( 83 ) ! RCO3+RCO3=0.2000D+01*RO2C+...\n & + RXRAT( 94 ) ! RCO3+BZCO3=0.2000D+01*CO2+...\n & + RXRAT( 106 ) ! RCO3+MACO3=HCHO+MECO3+RO2C+...\n\n PROD( PAN2 ) = RXRAT( 73 ) ! RCO3+NO2=PAN2\n LOSS( PAN2 ) = RXRAT( 74 ) ! PAN2=RCO3+NO2\n & + RXRAT( 75 ) ! PAN2=0.6000D+00*RCO3+...\n\n PROD( xHO2 ) = 4.0000D-01 * RXRAT( 75 ) ! PAN2=0.4000D+00*xHO2+...\n & + RXRAT( 76 ) ! RCO3+NO=xHO2+RO2C+NO2+...\n & + 4.4000D-01 * RXRAT( 77 ) ! RCO3+HO2=0.4400D+00*xHO2+...\n & + RXRAT( 78 ) ! RCO3+NO3=xHO2+RO2C+NO2+...\n & + RXRAT( 79 ) ! RCO3+MEO2=xHO2+HO2+RO2C+...\n & + RXRAT( 80 ) ! RCO3+RO2C=xHO2+RO2C+xCCHO+...\n & + RXRAT( 81 ) ! RCO3+RO2XC=xHO2+RO2C+xCCHO+...\n & + RXRAT( 82 ) ! RCO3+MECO3=xHO2+MEO2+RO2C+...\n & + 2.0000D+00 * RXRAT( 83 ) ! RCO3+RCO3=0.2000D+01*xHO2+...\n & + RXRAT( 94 ) ! BZCO3+RCO3=xHO2+0.2000D+...\n & + RXRAT( 106 ) ! MACO3+RCO3=xHO2+MECO3+RO2C+...\n & + RXRAT( 113 ) ! BZO=xHO2+RO2C+CRES\n & + 3.5000D-02 * RXRAT( 211 ) ! RCHO+OH=0.3500D-01*xHO2+...\n & + RXRAT( 212 ) ! RCHO=xHO2+RO2C+yROOH+xCCHO+...\n & + 3.7600D-01 * RXRAT( 216 ) ! MEK+OH=0.3760D+00*xHO2+...\n & + RXRAT( 217 ) ! MEK=xHO2+RO2C+MECO3+xCCHO+...\n & + 4.9100D-01 * RXRAT( 220 ) ! CCOOH+OH=0.4910D+00*xHO2+...\n & + RXRAT( 221 ) ! RCOOH+OH=xHO2+RO2C+0.1430D+...\n & + 2.3900D-01 * RXRAT( 224 ) ! ROOH+OH=0.2390D+00*xHO2+...\n & + 9.0000D-02 * RXRAT( 226 ) ! R6OOH+OH=0.9000D-01*xHO2+...\n & + 7.8200D-01 * RXRAT( 227 ) ! R6OOH=0.7820D+00*xHO2+...\n & + 5.6500D-01 * RXRAT( 228 ) ! RAOOH+OH=0.5650D+00*xHO2+...\n & + 8.0000D-01 * RXRAT( 238 ) ! CRES+OH=0.8000D+00*xHO2+...\n & + 5.2100D-01 * RXRAT( 246 ) ! AFG1+OH=0.5210D+00*xHO2+...\n & + 5.2100D-01 * RXRAT( 249 ) ! AFG2+OH=0.5210D+00*xHO2+...\n & + 5.6100D-01 * RXRAT( 252 ) ! AFG3+OH=0.5610D+00*xHO2+...\n & + 9.5000D-02 * RXRAT( 253 ) ! AFG3+O3=0.9500D-01*xHO2+...\n & + 5.0000D-01 * RXRAT( 254 ) ! MACR+OH=0.5000D+00*xHO2+...\n & + 5.0000D-01 * RXRAT( 256 ) ! MACR+NO3=0.5000D+00*xHO2+...\n & + 3.0000D-01 * RXRAT( 259 ) ! MVK+OH=0.3000D+00*xHO2+...\n & + 5.0000D-02 * RXRAT( 260 ) ! MVK+O3=0.5000D-01*xHO2+...\n & + 6.7000D-01 * RXRAT( 263 ) ! IPRD+OH=0.6700D+00*xHO2+...\n & + 7.9900D-01 * RXRAT( 265 ) ! IPRD+NO3=0.7990D+00*xHO2+...\n & + 3.7900D-01 * RXRAT( 267 ) ! PRD2+OH=0.3790D+00*xHO2+...\n & + 9.1300D-01 * RXRAT( 268 ) ! PRD2=0.9130D+00*xHO2+...\n & + 3.0500D-01 * RXRAT( 269 ) ! RNO3+OH=0.3050D+00*xHO2+...\n & + 5.5400D-01 * RXRAT( 270 ) ! RNO3=0.5540D+00*xHO2+...\n & + 2.5000D-01 * RXRAT( 274 ) ! ACROLEIN+OH=0.2500D+...\n & + 3.1000D-02 * RXRAT( 276 ) ! ACROLEIN+NO3=0.3100D-...\n & + 8.4000D-02 * RXRAT( 281 ) ! RCOOOH+OH=0.8400D-01*xHO2+...\n & + RXRAT( 282 ) ! RCOOOH=xHO2+xCCHO+yROOH+CO2+OH\n & + RXRAT( 527 ) ! ETHENE+OH=xHO2+RO2C+...\n & + RXRAT( 529 ) ! ETHENE+NO3=xHO2+RO2C+xRCHO+...\n & + 2.9000D-01 * RXRAT( 530 ) ! ETHENE+O3P=0.2900D+00*xHO2+...\n & + 9.8400D-01 * RXRAT( 531 ) ! PROPENE+OH=0.9840D+00*xHO2+...\n & + 9.4900D-01 * RXRAT( 533 ) ! PROPENE+NO3=0.9490D+...\n & + 9.5100D-01 * RXRAT( 535 ) ! BUTADIENE13+OH=0.9510D+...\n & + 8.1500D-01 * RXRAT( 537 ) ! BUTADIENE13+NO3=0.8150D+...\n & + 1.1700D-01 * RXRAT( 538 ) ! BUTADIENE13+O3P=0.1170D+...\n & + 9.0700D-01 * RXRAT( 539 ) ! ISOPRENE+OH=0.9070D+...\n & + 7.4900D-01 * RXRAT( 541 ) ! ISOPRENE+NO3=0.7490D+...\n & + 3.1000D-01 * RXRAT( 544 ) ! ISOPOOH+OH=0.3100D+00*xHO2+...\n & + 7.9900D-01 * RXRAT( 552 ) ! APIN+OH=0.7990D+00*xHO2+...\n & + 1.0200D-01 * RXRAT( 553 ) ! APIN+O3=0.1020D+00*xHO2+...\n & + 5.6000D-02 * RXRAT( 554 ) ! APIN+NO3=0.5600D-01*xHO2+...\n & + 2.9000D-01 * RXRAT( 558 ) ! BENZENE+OH=0.2900D+00*xHO2+...\n & + 4.5400D-01 * RXRAT( 559 ) ! TOLUENE+OH=0.4540D+00*xHO2+...\n & + 5.2000D-01 * RXRAT( 560 ) ! MXYL+OH=0.5200D+00*xHO2+...\n & + 5.5400D-01 * RXRAT( 561 ) ! OXYL+OH=0.5540D+00*xHO2+...\n & + 4.8700D-01 * RXRAT( 562 ) ! PXYL+OH=0.4870D+00*xHO2+...\n & + 6.2700D-01 * RXRAT( 563 ) ! TMBENZ124+OH=0.6270D+...\n & + 5.0000D-02 * RXRAT( 564 ) ! ETOH+OH=0.5000D-01*xHO2+...\n & + RXRAT( 565 ) ! ALK1+OH=xHO2+RO2C+xCCHO+yROOH\n & + 9.6500D-01 * RXRAT( 566 ) ! ALK2+OH=0.9650D+00*xHO2+...\n & + 6.9500D-01 * RXRAT( 567 ) ! ALK3+OH=0.6950D+00*xHO2+...\n & + 8.3000D-01 * RXRAT( 568 ) ! ALK4+OH=0.8300D+00*xHO2+...\n & + 6.4700D-01 * RXRAT( 569 ) ! ALK5+OH=0.6470D+00*xHO2+...\n & + 8.7100D-01 * RXRAT( 571 ) ! OLE1+OH=0.8710D+00*xHO2+...\n & + 5.7000D-02 * RXRAT( 572 ) ! OLE1+O3=0.5700D-01*xHO2+...\n & + 7.7200D-01 * RXRAT( 573 ) ! OLE1+NO3=0.7720D+00*xHO2+...\n & + 9.1200D-01 * RXRAT( 575 ) ! OLE2+OH=0.9120D+00*xHO2+...\n & + 4.1000D-02 * RXRAT( 576 ) ! OLE2+O3=0.4100D-01*xHO2+...\n & + 4.0000D-01 * RXRAT( 577 ) ! OLE2+NO3=0.4000D+00*xHO2+...\n & + 5.6600D-01 * RXRAT( 579 ) ! ARO1+OH=0.5660D+00*xHO2+...\n & + 6.1700D-01 * RXRAT( 580 ) ! ARO2MN+OH=0.6170D+00*xHO2+...\n & + 6.1700D-01 * RXRAT( 581 ) ! NAPHTHAL+OH=0.6170D+...\n & + 7.3400D-01 * RXRAT( 582 ) ! TERP+OH=0.7340D+00*xHO2+...\n & + 4.6000D-02 * RXRAT( 583 ) ! TERP+O3=0.4600D-01*xHO2+...\n & + 2.2700D-01 * RXRAT( 584 ) ! TERP+NO3=0.2270D+00*xHO2+...\n & + 7.3400D-01 * RXRAT( 586 ) ! SESQ+OH=0.7340D+00*xHO2+...\n & + 4.6000D-02 * RXRAT( 587 ) ! SESQ+O3=0.4600D-01*xHO2+...\n & + 2.2700D-01 * RXRAT( 588 ) ! SESQ+NO3=0.2270D+00*xHO2+...\n & + 1.0000D-01 * RXRAT( 615 ) ! RCHO+CL=0.1000D+00*xHO2+...\n & + 8.4000D-01 * RXRAT( 617 ) ! MEK+CL=0.8400D+00*xHO2+...\n & + 5.4700D-01 * RXRAT( 618 ) ! RNO3+CL=0.5470D+00*xHO2+...\n & + 5.4100D-01 * RXRAT( 619 ) ! PRD2+CL=0.5410D+00*xHO2+...\n & + RXRAT( 622 ) ! CRES+CL=xHO2+HCL+xBALD+yR6OOH\n & + 4.8200D-01 * RXRAT( 624 ) ! ROOH+CL=0.4820D+00*xHO2+...\n & + 2.3700D-01 * RXRAT( 625 ) ! R6OOH+CL=0.2370D+00*xHO2+...\n & + 5.6500D-01 * RXRAT( 626 ) ! RAOOH+CL=0.5650D+00*xHO2+...\n & + 4.8400D-01 * RXRAT( 627 ) ! ACROLEIN+CL=0.4840D+...\n & + 8.0200D-01 * RXRAT( 628 ) ! MACR+CL=0.8020D+00*xHO2+...\n & + 3.2200D-01 * RXRAT( 629 ) ! MVK+CL=0.3220D+00*xHO2+...\n & + 7.1200D-01 * RXRAT( 630 ) ! IPRD+CL=0.7120D+00*xHO2+...\n & + RXRAT( 666 ) ! ETHENE+CL=xHO2+0.2000D+...\n & + 9.7100D-01 * RXRAT( 667 ) ! PROPENE+CL=0.9710D+00*xHO2+...\n & + 3.9000D-01 * RXRAT( 668 ) ! BUTADIENE13+CL=0.3900D+...\n & + 7.3800D-01 * RXRAT( 669 ) ! ISOPRENE+CL=0.7380D+...\n & + 2.5200D-01 * RXRAT( 670 ) ! APIN+CL=0.2520D+00*xHO2+...\n & + 8.9400D-01 * RXRAT( 672 ) ! TOLUENE+CL=0.8940D+00*xHO2+...\n & + 8.6400D-01 * RXRAT( 673 ) ! MXYL+CL=0.8640D+00*xHO2+...\n & + 8.6400D-01 * RXRAT( 674 ) ! OXYL+CL=0.8640D+00*xHO2+...\n & + 8.6400D-01 * RXRAT( 675 ) ! PXYL+CL=0.8640D+00*xHO2+...\n & + 8.3800D-01 * RXRAT( 676 ) ! TMBENZ124+CL=0.8380D+...\n & + 3.1200D-01 * RXRAT( 677 ) ! ETOH+CL=0.3120D+00*xHO2+...\n & + RXRAT( 678 ) ! ALK1+CL=xHO2+HCL+RO2C+...\n & + 9.7000D-01 * RXRAT( 679 ) ! ALK2+CL=0.9700D+00*xHO2+...\n & + 8.3500D-01 * RXRAT( 680 ) ! ALK3+CL=0.8350D+00*xHO2+...\n & + 8.2700D-01 * RXRAT( 681 ) ! ALK4+CL=0.8270D+00*xHO2+...\n & + 6.4700D-01 * RXRAT( 682 ) ! ALK5+CL=0.6470D+00*xHO2+...\n & + 8.7300D-01 * RXRAT( 683 ) ! OLE1+CL=0.8730D+00*xHO2+...\n & + 4.5000D-01 * RXRAT( 684 ) ! OLE2+CL=0.4500D+00*xHO2+...\n & + 8.4000D-01 * RXRAT( 685 ) ! ARO1+CL=0.8400D+00*xHO2+...\n & + 8.2800D-01 * RXRAT( 686 ) ! ARO2MN+CL=0.8280D+00*xHO2+...\n & + 8.2800D-01 * RXRAT( 687 ) ! NAPHTHAL+CL=0.8280D+...\n & + 2.5200D-01 * RXRAT( 688 ) ! TERP+CL=0.2520D+00*xHO2+...\n & + 2.5200D-01 * RXRAT( 689 ) ! SESQ+CL=0.2520D+00*xHO2+...\n LOSS( xHO2 ) = RXRAT( 114 ) ! xHO2+NO=NO+HO2\n & + RXRAT( 115 ) ! xHO2+HO2=HO2\n & + RXRAT( 116 ) ! xHO2+NO3=NO3+HO2\n & + RXRAT( 117 ) ! xHO2+MEO2=MEO2+0.5000D+00*HO2\n & + RXRAT( 118 ) ! xHO2+RO2C=RO2C+0.5000D+00*HO2\n & + RXRAT( 119 ) ! xHO2+RO2XC=RO2XC+0.5000D+...\n & + RXRAT( 120 ) ! xHO2+MECO3=MECO3+HO2\n & + RXRAT( 121 ) ! xHO2+RCO3=RCO3+HO2\n & + RXRAT( 122 ) ! xHO2+BZCO3=BZCO3+HO2\n & + RXRAT( 123 ) ! xHO2+MACO3=MACO3+HO2\n\n PROD( yROOH ) = 4.0000D-01 * RXRAT( 75 ) ! PAN2=0.4000D+00*yROOH+...\n & + RXRAT( 76 ) ! RCO3+NO=yROOH+RO2C+xHO2+...\n & + 4.4000D-01 * RXRAT( 77 ) ! RCO3+HO2=0.4400D+00*yROOH+...\n & + RXRAT( 78 ) ! RCO3+NO3=yROOH+RO2C+xHO2+...\n & + RXRAT( 79 ) ! RCO3+MEO2=yROOH+HO2+RO2C+...\n & + RXRAT( 80 ) ! RCO3+RO2C=yROOH+xHO2+xCCHO+...\n & + RXRAT( 81 ) ! RCO3+RO2XC=yROOH+xHO2+...\n & + RXRAT( 82 ) ! RCO3+MECO3=yROOH+MEO2+RO2C+...\n & + 2.0000D+00 * RXRAT( 83 ) ! RCO3+RCO3=0.2000D+01*yROOH+...\n & + RXRAT( 94 ) ! BZCO3+RCO3=yROOH+0.2000D+...\n & + RXRAT( 106 ) ! MACO3+RCO3=yROOH+MECO3+...\n & + 3.5000D-02 * RXRAT( 211 ) ! RCHO+OH=0.3500D-01*yROOH+...\n & + RXRAT( 212 ) ! RCHO=yROOH+xHO2+RO2C+xCCHO+...\n & + RXRAT( 214 ) ! ACETONE+OH=yROOH+xMECO3+...\n & + RXRAT( 216 ) ! MEK+OH=yROOH+0.3900D-...\n & + RXRAT( 217 ) ! MEK=yROOH+RO2C+xHO2+xCCHO+...\n & + 4.9100D-01 * RXRAT( 220 ) ! CCOOH+OH=0.4910D+00*yROOH+...\n & + RXRAT( 221 ) ! RCOOH+OH=yROOH+xHO2+...\n & + 2.5600D-01 * RXRAT( 224 ) ! ROOH+OH=0.2560D+00*yROOH+...\n & + 1.6000D-01 * RXRAT( 226 ) ! R6OOH+OH=0.1600D+00*yROOH+...\n & + 5.0000D-01 * RXRAT( 254 ) ! MACR+OH=0.5000D+00*yROOH+...\n & + 1.0000D-01 * RXRAT( 255 ) ! MACR+O3=0.1000D+00*yROOH+...\n & + 5.0000D-01 * RXRAT( 256 ) ! MACR+NO3=0.5000D+00*yROOH+...\n & + 3.3000D-01 * RXRAT( 258 ) ! MACR=0.3300D+00*yROOH+...\n & + RXRAT( 259 ) ! MVK+OH=yROOH+0.2500D-...\n & + 5.0000D-02 * RXRAT( 260 ) ! MVK+O3=0.5000D-01*yROOH+...\n & + 1.5700D-01 * RXRAT( 269 ) ! RNO3+OH=0.1570D+00*yROOH+...\n & + 6.6000D-02 * RXRAT( 270 ) ! RNO3=0.6600D-01*yROOH+...\n & + 2.5000D-01 * RXRAT( 274 ) ! ACROLEIN+OH=0.2500D+...\n & + 3.3000D-02 * RXRAT( 276 ) ! ACROLEIN+NO3=0.3300D-...\n & + 2.0000D-02 * RXRAT( 279 ) ! CCOOOH+OH=0.2000D-01*yROOH+...\n & + 1.9400D-01 * RXRAT( 281 ) ! RCOOOH+OH=0.1940D+00*yROOH+...\n & + RXRAT( 282 ) ! RCOOOH=yROOH+xCCHO+xHO2+CO2+OH\n & + RXRAT( 527 ) ! ETHENE+OH=yROOH+RO2C+...\n & + RXRAT( 529 ) ! ETHENE+NO3=yROOH+RO2C+...\n & + 2.9000D-01 * RXRAT( 530 ) ! ETHENE+O3P=0.2900D+...\n & + RXRAT( 531 ) ! PROPENE+OH=yROOH+0.9840D+...\n & + RXRAT( 533 ) ! PROPENE+NO3=yROOH+0.9490D+...\n & + RXRAT( 535 ) ! BUTADIENE13+OH=yROOH+...\n & + RXRAT( 537 ) ! BUTADIENE13+NO3=yROOH+...\n & + 2.5000D-01 * RXRAT( 538 ) ! BUTADIENE13+O3P=0.2500D+...\n & + 5.0000D-02 * RXRAT( 564 ) ! ETOH+OH=0.5000D-01*yROOH+...\n & + RXRAT( 565 ) ! ALK1+OH=yROOH+RO2C+xCCHO+xHO2\n & + RXRAT( 566 ) ! ALK2+OH=yROOH+0.9650D+...\n & + 9.8300D-01 * RXRAT( 567 ) ! ALK3+OH=0.9830D+00*yROOH+...\n & + 1.6900D-01 * RXRAT( 571 ) ! OLE1+OH=0.1690D+00*yROOH+...\n & + 1.1000D-02 * RXRAT( 572 ) ! OLE1+O3=0.1100D-01*yROOH+...\n & + 1.6900D-01 * RXRAT( 573 ) ! OLE1+NO3=0.1690D+00*yROOH+...\n & + 3.1900D-01 * RXRAT( 575 ) ! OLE2+OH=0.3190D+00*yROOH+...\n & + 7.3000D-02 * RXRAT( 576 ) ! OLE2+O3=0.7300D-01*yROOH+...\n & + 3.1900D-01 * RXRAT( 577 ) ! OLE2+NO3=0.3190D+00*yROOH+...\n & + 1.0000D-01 * RXRAT( 615 ) ! RCHO+CL=0.1000D+00*yROOH+...\n & + RXRAT( 616 ) ! ACETONE+CL=yROOH+RO2C+...\n & + RXRAT( 617 ) ! MEK+CL=yROOH+0.9750D+...\n & + 5.8600D-01 * RXRAT( 624 ) ! ROOH+CL=0.5860D+00*yROOH+...\n & + 7.8400D-01 * RXRAT( 627 ) ! ACROLEIN+CL=0.7840D+...\n & + 8.3500D-01 * RXRAT( 628 ) ! MACR+CL=0.8350D+00*yROOH+...\n & + RXRAT( 629 ) ! MVK+CL=yROOH+0.5300D-...\n & + RXRAT( 631 ) ! CLCCHO=yROOH+CO+RO2C+xCL+...\n & + RXRAT( 634 ) ! CLACET=yROOH+RO2C+xCL+...\n & + RXRAT( 667 ) ! PROPENE+CL=yROOH+0.9710D+...\n & + RXRAT( 668 ) ! BUTADIENE13+CL=yROOH+...\n & + 3.1200D-01 * RXRAT( 677 ) ! ETOH+CL=0.3120D+00*yROOH+...\n & + RXRAT( 678 ) ! ALK1+CL=yROOH+xHO2+RO2C+...\n & + RXRAT( 679 ) ! ALK2+CL=yROOH+0.9700D+...\n & + 9.8300D-01 * RXRAT( 680 ) ! ALK3+CL=0.9830D+00*yROOH+...\n & + 1.6900D-01 * RXRAT( 683 ) ! OLE1+CL=0.1690D+00*yROOH+...\n & + 3.1900D-01 * RXRAT( 684 ) ! OLE2+CL=0.3190D+00*yROOH+...\n LOSS( yROOH ) = RXRAT( 456 ) ! yROOH+NO=NO\n & + RXRAT( 457 ) ! yROOH+HO2=HO2+ROOH\n & + RXRAT( 458 ) ! yROOH+NO3=NO3\n & + RXRAT( 459 ) ! yROOH+MEO2=MEO2+0.5000D+00*MEK\n & + RXRAT( 460 ) ! yROOH+RO2C=RO2C+0.5000D+00*MEK\n & + RXRAT( 461 ) ! yROOH+RO2XC=RO2XC+0.5000D+...\n & + RXRAT( 462 ) ! yROOH+MECO3=MECO3\n & + RXRAT( 463 ) ! yROOH+RCO3=RCO3\n & + RXRAT( 464 ) ! yROOH+BZCO3=BZCO3\n & + RXRAT( 465 ) ! yROOH+MACO3=MACO3\n\n PROD( xCCHO ) = 4.0000D-01 * RXRAT( 75 ) ! PAN2=0.4000D+00*xCCHO+...\n & + RXRAT( 76 ) ! RCO3+NO=xCCHO+RO2C+xHO2+...\n & + 4.4000D-01 * RXRAT( 77 ) ! RCO3+HO2=0.4400D+00*xCCHO+...\n & + RXRAT( 78 ) ! RCO3+NO3=xCCHO+RO2C+xHO2+...\n & + RXRAT( 79 ) ! RCO3+MEO2=xCCHO+HO2+RO2C+...\n & + RXRAT( 80 ) ! RCO3+RO2C=xCCHO+xHO2+RO2C+...\n & + RXRAT( 81 ) ! RCO3+RO2XC=xCCHO+xHO2+RO2C+...\n & + RXRAT( 82 ) ! RCO3+MECO3=xCCHO+MEO2+RO2C+...\n & + 2.0000D+00 * RXRAT( 83 ) ! RCO3+RCO3=0.2000D+01*xCCHO+...\n & + RXRAT( 94 ) ! BZCO3+RCO3=xCCHO+0.2000D+...\n & + RXRAT( 106 ) ! MACO3+RCO3=xCCHO+MECO3+...\n & + 3.5000D-02 * RXRAT( 211 ) ! RCHO+OH=0.3500D-01*xCCHO+...\n & + RXRAT( 212 ) ! RCHO=xCCHO+xHO2+yROOH+RO2C+...\n & + 5.0400D-01 * RXRAT( 216 ) ! MEK+OH=0.5040D+00*xCCHO+...\n & + RXRAT( 217 ) ! MEK=xCCHO+RO2C+xHO2+MECO3+...\n & + 1.4200D-01 * RXRAT( 221 ) ! RCOOH+OH=0.1420D+00*xCCHO+...\n & + 1.2000D-02 * RXRAT( 224 ) ! ROOH+OH=0.1200D-01*xCCHO+...\n & + 2.0000D-02 * RXRAT( 226 ) ! R6OOH+OH=0.2000D-01*xCCHO+...\n & + 2.6000D-02 * RXRAT( 227 ) ! R6OOH=0.2600D-01*xCCHO+...\n & + 8.3000D-02 * RXRAT( 267 ) ! PRD2+OH=0.8300D-01*xCCHO+...\n & + 1.6300D-01 * RXRAT( 268 ) ! PRD2=0.1630D+00*xCCHO+...\n & + 4.2900D-01 * RXRAT( 269 ) ! RNO3+OH=0.4290D+00*xCCHO+...\n & + 2.3000D-01 * RXRAT( 270 ) ! RNO3=0.2300D+00*xCCHO+...\n & + 1.6700D-01 * RXRAT( 274 ) ! ACROLEIN+OH=0.1670D+...\n & + 1.1000D-01 * RXRAT( 281 ) ! RCOOOH+OH=0.1100D+00*xCCHO+...\n & + RXRAT( 282 ) ! RCOOOH=xCCHO+xHO2+yROOH+CO2+OH\n & + 9.8400D-01 * RXRAT( 531 ) ! PROPENE+OH=0.9840D+...\n & + RXRAT( 565 ) ! ALK1+OH=xCCHO+RO2C+xHO2+yROOH\n & + 4.4500D-01 * RXRAT( 567 ) ! ALK3+OH=0.4450D+00*xCCHO+...\n & + 4.3800D-01 * RXRAT( 568 ) ! ALK4+OH=0.4380D+00*xCCHO+...\n & + 1.0600D-01 * RXRAT( 569 ) ! ALK5+OH=0.1060D+00*xCCHO+...\n & + 1.0000D-02 * RXRAT( 571 ) ! OLE1+OH=0.1000D-01*xCCHO+...\n & + 1.1000D-02 * RXRAT( 572 ) ! OLE1+O3=0.1100D-01*xCCHO+...\n & + 1.3000D-02 * RXRAT( 573 ) ! OLE1+NO3=0.1300D-01*xCCHO+...\n & + 8.3500D-01 * RXRAT( 575 ) ! OLE2+OH=0.8350D+00*xCCHO+...\n & + 7.1000D-02 * RXRAT( 576 ) ! OLE2+O3=0.7100D-01*xCCHO+...\n & + 5.7900D-01 * RXRAT( 577 ) ! OLE2+NO3=0.5790D+00*xCCHO+...\n & + 2.0000D-03 * RXRAT( 588 ) ! SESQ+NO3=0.2000D-02*xCCHO+...\n & + 1.0000D-01 * RXRAT( 615 ) ! RCHO+CL=0.1000D+00*xCCHO+...\n & + 7.0000D-02 * RXRAT( 617 ) ! MEK+CL=0.7000D-01*xCCHO+...\n & + 3.0000D-01 * RXRAT( 618 ) ! RNO3+CL=0.3000D+00*xCCHO+...\n & + 1.0900D-01 * RXRAT( 619 ) ! PRD2+CL=0.1090D+00*xCCHO+...\n & + 1.0400D-01 * RXRAT( 624 ) ! ROOH+CL=0.1040D+00*xCCHO+...\n & + 1.8600D-01 * RXRAT( 625 ) ! R6OOH+CL=0.1860D+00*xCCHO+...\n & + RXRAT( 678 ) ! ALK1+CL=xCCHO+xHO2+RO2C+...\n & + 3.4000D-01 * RXRAT( 680 ) ! ALK3+CL=0.3400D+00*xCCHO+...\n & + 2.8700D-01 * RXRAT( 681 ) ! ALK4+CL=0.2870D+00*xCCHO+...\n & + 8.0000D-02 * RXRAT( 682 ) ! ALK5+CL=0.8000D-01*xCCHO+...\n & + 2.0600D-01 * RXRAT( 683 ) ! OLE1+CL=0.2060D+00*xCCHO+...\n & + 3.8300D-01 * RXRAT( 684 ) ! OLE2+CL=0.3830D+00*xCCHO+...\n LOSS( xCCHO ) = RXRAT( 296 ) ! xCCHO+NO=NO+CCHO\n & + RXRAT( 297 ) ! xCCHO+HO2=HO2\n & + RXRAT( 298 ) ! xCCHO+NO3=NO3+CCHO\n & + RXRAT( 299 ) ! xCCHO+MEO2=MEO2+0.5000D+...\n & + RXRAT( 300 ) ! xCCHO+RO2C=RO2C+0.5000D+...\n & + RXRAT( 301 ) ! xCCHO+RO2XC=RO2XC+0.5000D+...\n & + RXRAT( 302 ) ! xCCHO+MECO3=MECO3+CCHO\n & + RXRAT( 303 ) ! xCCHO+RCO3=RCO3+CCHO\n & + RXRAT( 304 ) ! xCCHO+BZCO3=BZCO3+CCHO\n & + RXRAT( 305 ) ! xCCHO+MACO3=MACO3+CCHO\n\n PROD( RCOOOH ) = 3.0750D-01 * RXRAT( 77 ) ! RCO3+HO2=0.3075D+00*RCOOOH+...\n & + 3.0750D-01 * RXRAT( 88 ) ! BZCO3+HO2=0.3075D+...\n & + 3.0750D-01 * RXRAT( 100 ) ! MACO3+HO2=0.3075D+...\n LOSS( RCOOOH ) = RXRAT( 281 ) ! RCOOOH+OH=0.8060D+00*RCO3+...\n & + RXRAT( 282 ) ! RCOOOH=xHO2+xCCHO+yROOH+CO2+OH\n\n PROD( RCOOH ) = 1.0250D-01 * RXRAT( 77 ) ! RCO3+HO2=0.1025D+00*RCOOH+...\n & + 1.0250D-01 * RXRAT( 88 ) ! BZCO3+HO2=0.1025D+00*RCOOH+...\n & + 1.0250D-01 * RXRAT( 100 ) ! MACO3+HO2=0.1025D+00*RCOOH+...\n & + 3.7200D-01 * RXRAT( 264 ) ! IPRD+O3=0.3720D+00*RCOOH+...\n & + 1.5900D-01 * RXRAT( 572 ) ! OLE1+O3=0.1590D+00*RCOOH+...\n & + 2.3500D-01 * RXRAT( 576 ) ! OLE2+O3=0.2350D+00*RCOOH+...\n & + 6.8000D-02 * RXRAT( 583 ) ! TERP+O3=0.6800D-01*RCOOH+...\n & + 6.8000D-02 * RXRAT( 587 ) ! SESQ+O3=0.6800D-01*RCOOH+...\n LOSS( RCOOH ) = RXRAT( 221 ) ! RCOOH+OH=RO2C+xHO2+0.1430D+...\n\n PROD( BZCO3 ) = RXRAT( 85 ) ! PBZN=BZCO3+NO2\n & + 6.0000D-01 * RXRAT( 86 ) ! PBZN=0.6000D+00*BZCO3+...\n & + RXRAT( 243 ) ! BALD+OH=BZCO3\n & + RXRAT( 245 ) ! BALD+NO3=BZCO3+HNO3\n & + RXRAT( 623 ) ! BALD+CL=BZCO3+HCL\n LOSS( BZCO3 ) = RXRAT( 84 ) ! BZCO3+NO2=PBZN\n & + RXRAT( 87 ) ! BZCO3+NO=NO2+CO2+BZO+RO2C\n & + RXRAT( 88 ) ! BZCO3+HO2=0.3075D+...\n & + RXRAT( 89 ) ! BZCO3+NO3=NO2+CO2+BZO+RO2C\n & + RXRAT( 90 ) ! BZCO3+MEO2=HCHO+HO2+RO2C+...\n & + RXRAT( 91 ) ! BZCO3+RO2C=RO2C+BZO+CO2\n & + RXRAT( 92 ) ! BZCO3+RO2XC=RO2C+BZO+CO2\n & + RXRAT( 93 ) ! BZCO3+MECO3=0.2000D+01*CO2+...\n & + RXRAT( 94 ) ! BZCO3+RCO3=0.2000D+01*CO2+...\n & + 2.0000D+00 * RXRAT( 95 ) ! BZCO3+BZCO3=0.2000D+01*BZO+...\n & + RXRAT( 107 ) ! BZCO3+MACO3=HCHO+MECO3+BZO+...\n\n PROD( PBZN ) = RXRAT( 84 ) ! BZCO3+NO2=PBZN\n LOSS( PBZN ) = RXRAT( 85 ) ! PBZN=BZCO3+NO2\n & + RXRAT( 86 ) ! PBZN=0.6000D+00*BZCO3+...\n\n PROD( BZO ) = 4.0000D-01 * RXRAT( 86 ) ! PBZN=0.4000D+00*BZO+...\n & + RXRAT( 87 ) ! BZCO3+NO=BZO+CO2+NO2+RO2C\n & + 4.4000D-01 * RXRAT( 88 ) ! BZCO3+HO2=0.4400D+00*BZO+...\n & + RXRAT( 89 ) ! BZCO3+NO3=BZO+CO2+NO2+RO2C\n & + RXRAT( 90 ) ! BZCO3+MEO2=BZO+HO2+RO2C+...\n & + RXRAT( 91 ) ! BZCO3+RO2C=BZO+RO2C+CO2\n & + RXRAT( 92 ) ! BZCO3+RO2XC=BZO+RO2C+CO2\n & + RXRAT( 93 ) ! BZCO3+MECO3=BZO+MEO2+...\n & + RXRAT( 94 ) ! BZCO3+RCO3=BZO+0.2000D+...\n & + 2.0000D+00 * RXRAT( 95 ) ! BZCO3+BZCO3=0.2000D+01*BZO+...\n & + RXRAT( 107 ) ! MACO3+BZCO3=BZO+MECO3+HCHO+...\n & + 2.0000D-01 * RXRAT( 238 ) ! CRES+OH=0.2000D+00*BZO+...\n & + RXRAT( 239 ) ! CRES+NO3=BZO+HNO3\n & + RXRAT( 240 ) ! NPHE+OH=BZO\n LOSS( BZO ) = RXRAT( 111 ) ! BZO+NO2=NPHE\n & + RXRAT( 112 ) ! BZO+HO2=CRES\n & + RXRAT( 113 ) ! BZO=CRES+RO2C+xHO2\n\n PROD( MACO3 ) = RXRAT( 97 ) ! MAPAN=MACO3+NO2\n & + 6.0000D-01 * RXRAT( 98 ) ! MAPAN=0.6000D+00*MACO3+...\n & + RXRAT( 174 ) ! xMACO3+NO=MACO3+NO\n & + RXRAT( 176 ) ! xMACO3+NO3=MACO3+NO3\n & + 5.0000D-01 * RXRAT( 177 ) ! xMACO3+MEO2=0.5000D+...\n & + 5.0000D-01 * RXRAT( 178 ) ! xMACO3+RO2C=0.5000D+...\n & + 5.0000D-01 * RXRAT( 179 ) ! xMACO3+RO2XC=0.5000D+...\n & + RXRAT( 180 ) ! xMACO3+MECO3=MACO3+MECO3\n & + RXRAT( 181 ) ! xMACO3+RCO3=MACO3+RCO3\n & + RXRAT( 182 ) ! xMACO3+BZCO3=MACO3+BZCO3\n & + RXRAT( 183 ) ! xMACO3+MACO3=0.2000D+01*MACO3\n & + 2.1700D-01 * RXRAT( 246 ) ! AFG1+OH=0.2170D+00*MACO3+...\n & + 5.0000D-01 * RXRAT( 248 ) ! AFG1=0.5000D+00*MACO3+...\n & + 2.1700D-01 * RXRAT( 249 ) ! AFG2+OH=0.2170D+00*MACO3+...\n & + 2.0600D-01 * RXRAT( 252 ) ! AFG3+OH=0.2060D+00*MACO3+...\n & + 5.0000D-01 * RXRAT( 254 ) ! MACR+OH=0.5000D+00*MACO3+...\n & + 5.0000D-01 * RXRAT( 256 ) ! MACR+NO3=0.5000D+00*MACO3+...\n & + 3.3000D-01 * RXRAT( 258 ) ! MACR=0.3300D+00*MACO3+...\n & + 4.0000D-01 * RXRAT( 262 ) ! MVK=0.4000D+00*MACO3+...\n & + 2.8900D-01 * RXRAT( 263 ) ! IPRD+OH=0.2890D+00*MACO3+...\n & + 1.5000D-01 * RXRAT( 265 ) ! IPRD+NO3=0.1500D+00*MACO3+...\n & + 7.5000D-01 * RXRAT( 274 ) ! ACROLEIN+OH=0.7500D+...\n & + 9.6700D-01 * RXRAT( 276 ) ! ACROLEIN+NO3=0.9670D+...\n & + 3.3000D-01 * RXRAT( 278 ) ! ACROLEIN=0.3300D+00*MACO3+...\n & + 2.1600D-01 * RXRAT( 627 ) ! ACROLEIN+CL=0.2160D+...\n & + 1.6500D-01 * RXRAT( 628 ) ! MACR+CL=0.1650D+00*MACO3+...\n & + 1.5400D-01 * RXRAT( 630 ) ! IPRD+CL=0.1540D+00*MACO3+...\n LOSS( MACO3 ) = RXRAT( 96 ) ! MACO3+NO2=MAPAN\n & + RXRAT( 99 ) ! MACO3+NO=NO2+CO2+HCHO+MECO3\n & + RXRAT( 100 ) ! MACO3+HO2=0.3075D+...\n & + RXRAT( 101 ) ! MACO3+NO3=NO2+CO2+HCHO+MECO3\n & + RXRAT( 102 ) ! MACO3+MEO2=0.2000D+01*HCHO+...\n & + RXRAT( 103 ) ! MACO3+RO2C=CO2+HCHO+MECO3\n & + RXRAT( 104 ) ! MACO3+RO2XC=CO2+HCHO+MECO3\n & + RXRAT( 105 ) ! MACO3+MECO3=0.2000D+01*CO2+...\n & + RXRAT( 106 ) ! MACO3+RCO3=HCHO+MECO3+RO2C+...\n & + RXRAT( 107 ) ! MACO3+BZCO3=HCHO+MECO3+BZO+...\n & + 2.0000D+00 * RXRAT( 108 ) ! MACO3+MACO3=0.2000D+...\n\n PROD( MAPAN ) = RXRAT( 96 ) ! MACO3+NO2=MAPAN\n LOSS( MAPAN ) = RXRAT( 97 ) ! MAPAN=MACO3+NO2\n & + RXRAT( 98 ) ! MAPAN=0.6000D+00*MACO3+...\n\n PROD( TBUO ) = RXRAT( 184 ) ! xTBUO+NO=TBUO+NO\n & + RXRAT( 186 ) ! xTBUO+NO3=TBUO+NO3\n & + 5.0000D-01 * RXRAT( 187 ) ! xTBUO+MEO2=0.5000D+00*TBUO+...\n & + 5.0000D-01 * RXRAT( 188 ) ! xTBUO+RO2C=0.5000D+00*TBUO+...\n & + 5.0000D-01 * RXRAT( 189 ) ! xTBUO+RO2XC=0.5000D+...\n & + RXRAT( 190 ) ! xTBUO+MECO3=TBUO+MECO3\n & + RXRAT( 191 ) ! xTBUO+RCO3=TBUO+RCO3\n & + RXRAT( 192 ) ! xTBUO+BZCO3=TBUO+BZCO3\n & + RXRAT( 193 ) ! xTBUO+MACO3=TBUO+MACO3\n LOSS( TBUO ) = RXRAT( 109 ) ! TBUO+NO2=RNO3\n & + RXRAT( 110 ) ! TBUO=ACETONE+MEO2\n\n PROD( RNO3 ) = RXRAT( 109 ) ! TBUO+NO2=RNO3\n & + RXRAT( 446 ) ! xRNO3+NO=RNO3+NO\n & + RXRAT( 448 ) ! xRNO3+NO3=RNO3+NO3\n & + 5.0000D-01 * RXRAT( 449 ) ! xRNO3+MEO2=0.5000D+00*RNO3+...\n & + 5.0000D-01 * RXRAT( 450 ) ! xRNO3+RO2C=0.5000D+00*RNO3+...\n & + 5.0000D-01 * RXRAT( 451 ) ! xRNO3+RO2XC=0.5000D+...\n & + RXRAT( 452 ) ! xRNO3+MECO3=RNO3+MECO3\n & + RXRAT( 453 ) ! xRNO3+RCO3=RNO3+RCO3\n & + RXRAT( 454 ) ! xRNO3+BZCO3=RNO3+BZCO3\n & + RXRAT( 455 ) ! xRNO3+MACO3=RNO3+MACO3\n & + RXRAT( 496 ) ! zRNO3+NO=RNO3+NO\n LOSS( RNO3 ) = 8.1100D-01 * RXRAT( 269 ) ! RNO3+OH=0.1890D+00*RNO3+...\n & + RXRAT( 270 ) ! RNO3=0.3440D+00*HO2+...\n & + 9.4500D-01 * RXRAT( 618 ) ! RNO3+CL=0.5500D-01*RNO3+...\n\n PROD( ACETONE ) = RXRAT( 110 ) ! TBUO=ACETONE+MEO2\n & + RXRAT( 316 ) ! xACETONE+NO=ACETONE+NO\n & + RXRAT( 318 ) ! xACETONE+NO3=ACETONE+NO3\n & + 5.0000D-01 * RXRAT( 319 ) ! xACETONE+MEO2=0.5000D+...\n & + 5.0000D-01 * RXRAT( 320 ) ! xACETONE+RO2C=0.5000D+...\n & + 5.0000D-01 * RXRAT( 321 ) ! xACETONE+RO2XC=0.5000D+...\n & + RXRAT( 322 ) ! xACETONE+MECO3=ACETONE+MECO3\n & + RXRAT( 323 ) ! xACETONE+RCO3=ACETONE+RCO3\n & + RXRAT( 324 ) ! xACETONE+BZCO3=ACETONE+BZCO3\n & + RXRAT( 325 ) ! xACETONE+MACO3=ACETONE+MACO3\n & + 5.1000D-02 * RXRAT( 576 ) ! OLE2+O3=0.5100D-01*ACETONE+...\n LOSS( ACETONE ) = RXRAT( 214 ) ! ACETONE+OH=RO2C+xMECO3+...\n & + RXRAT( 215 ) ! ACETONE=0.6200D+00*MECO3+...\n & + RXRAT( 616 ) ! ACETONE+CL=HCL+RO2C+xHCHO+...\n\n PROD( NPHE ) = RXRAT( 111 ) ! BZO+NO2=NPHE\n LOSS( NPHE ) = RXRAT( 240 ) ! NPHE+OH=BZO\n & + RXRAT( 241 ) ! NPHE=HONO\n & + RXRAT( 242 ) ! NPHE=\n\n PROD( CRES ) = RXRAT( 112 ) ! BZO+HO2=CRES\n & + RXRAT( 113 ) ! BZO=CRES+RO2C+xHO2\n & + 5.7000D-01 * RXRAT( 558 ) ! BENZENE+OH=0.5700D+00*CRES+...\n & + 1.8100D-01 * RXRAT( 559 ) ! TOLUENE+OH=0.1810D+00*CRES+...\n & + 1.5900D-01 * RXRAT( 560 ) ! MXYL+OH=0.1590D+00*CRES+...\n & + 1.6100D-01 * RXRAT( 561 ) ! OXYL+OH=0.1610D+00*CRES+...\n & + 1.5900D-01 * RXRAT( 562 ) ! PXYL+OH=0.1590D+00*CRES+...\n & + 2.2000D-02 * RXRAT( 563 ) ! TMBENZ124+OH=0.2200D-...\n & + 1.2300D-01 * RXRAT( 579 ) ! ARO1+OH=0.1230D+00*CRES+...\n & + 7.7000D-02 * RXRAT( 580 ) ! ARO2MN+OH=0.7700D-01*CRES+...\n & + 7.7000D-02 * RXRAT( 581 ) ! NAPHTHAL+OH=0.7700D-...\n LOSS( CRES ) = RXRAT( 238 ) ! CRES+OH=0.2000D+00*BZO+...\n & + RXRAT( 239 ) ! CRES+NO3=HNO3+BZO\n & + RXRAT( 622 ) ! CRES+CL=HCL+xHO2+xBALD+yR6OOH\n\n PROD( xOH ) = 1.2000D-02 * RXRAT( 224 ) ! ROOH+OH=0.1200D-01*xOH+...\n & + 4.1000D-02 * RXRAT( 226 ) ! R6OOH+OH=0.4100D-01*xOH+...\n & + 2.4000D-02 * RXRAT( 228 ) ! RAOOH+OH=0.2400D-01*xOH+...\n & + 2.0000D-02 * RXRAT( 279 ) ! CCOOOH+OH=0.2000D-01*xOH+...\n & + 1.1000D-01 * RXRAT( 281 ) ! RCOOOH+OH=0.1100D+00*xOH+...\n & + 1.0400D-01 * RXRAT( 624 ) ! ROOH+CL=0.1040D+00*xOH+...\n & + 5.0200D-01 * RXRAT( 625 ) ! R6OOH+CL=0.5020D+00*xOH+...\n & + 2.4000D-02 * RXRAT( 626 ) ! RAOOH+CL=0.2400D-01*xOH+...\n LOSS( xOH ) = RXRAT( 124 ) ! xOH+NO=NO+OH\n & + RXRAT( 125 ) ! xOH+HO2=HO2\n & + RXRAT( 126 ) ! xOH+NO3=NO3+OH\n & + RXRAT( 127 ) ! xOH+MEO2=MEO2+0.5000D+00*OH\n & + RXRAT( 128 ) ! xOH+RO2C=RO2C+0.5000D+00*OH\n & + RXRAT( 129 ) ! xOH+RO2XC=RO2XC+0.5000D+00*OH\n & + RXRAT( 130 ) ! xOH+MECO3=MECO3+OH\n & + RXRAT( 131 ) ! xOH+RCO3=RCO3+OH\n & + RXRAT( 132 ) ! xOH+BZCO3=BZCO3+OH\n & + RXRAT( 133 ) ! xOH+MACO3=MACO3+OH\n\n PROD( xNO2 ) = 3.1300D-01 * RXRAT( 269 ) ! RNO3+OH=0.3130D+00*xNO2+...\n & + 1.2000D-01 * RXRAT( 537 ) ! BUTADIENE13+NO3=0.1200D+...\n & + 1.8700D-01 * RXRAT( 541 ) ! ISOPRENE+NO3=0.1870D+...\n & + 6.4300D-01 * RXRAT( 554 ) ! APIN+NO3=0.6430D+00*xNO2+...\n & + 4.2600D-01 * RXRAT( 577 ) ! OLE2+NO3=0.4260D+00*xNO2+...\n & + 2.8700D-01 * RXRAT( 584 ) ! TERP+NO3=0.2870D+00*xNO2+...\n & + 2.8700D-01 * RXRAT( 588 ) ! SESQ+NO3=0.2870D+00*xNO2+...\n & + 1.5900D-01 * RXRAT( 618 ) ! RNO3+CL=0.1590D+00*xNO2+...\n LOSS( xNO2 ) = RXRAT( 134 ) ! xNO2+NO=NO+NO2\n & + RXRAT( 135 ) ! xNO2+HO2=HO2\n & + RXRAT( 136 ) ! xNO2+NO3=NO3+NO2\n & + RXRAT( 137 ) ! xNO2+MEO2=MEO2+0.5000D+00*NO2\n & + RXRAT( 138 ) ! xNO2+RO2C=RO2C+0.5000D+00*NO2\n & + RXRAT( 139 ) ! xNO2+RO2XC=RO2XC+0.5000D+...\n & + RXRAT( 140 ) ! xNO2+MECO3=MECO3+NO2\n & + RXRAT( 141 ) ! xNO2+RCO3=RCO3+NO2\n & + RXRAT( 142 ) ! xNO2+BZCO3=BZCO3+NO2\n & + RXRAT( 143 ) ! xNO2+MACO3=MACO3+NO2\n\n PROD( xMEO2 ) = 1.0000D-02 * RXRAT( 568 ) ! ALK4+OH=0.1000D-01*xMEO2+...\n & + 1.0000D-03 * RXRAT( 571 ) ! OLE1+OH=0.1000D-02*xMEO2+...\n & + 3.5000D-02 * RXRAT( 577 ) ! OLE2+NO3=0.3500D-01*xMEO2+...\n & + 3.0000D-03 * RXRAT( 681 ) ! ALK4+CL=0.3000D-02*xMEO2+...\n & + 1.0000D-03 * RXRAT( 684 ) ! OLE2+CL=0.1000D-02*xMEO2+...\n LOSS( xMEO2 ) = RXRAT( 144 ) ! xMEO2+NO=NO+MEO2\n & + RXRAT( 145 ) ! xMEO2+HO2=HO2\n & + RXRAT( 146 ) ! xMEO2+NO3=NO3+MEO2\n & + RXRAT( 147 ) ! xMEO2+MEO2=0.1500D+01*MEO2\n & + RXRAT( 148 ) ! xMEO2+RO2C=RO2C+0.5000D+...\n & + RXRAT( 149 ) ! xMEO2+RO2XC=RO2XC+0.5000D+...\n & + RXRAT( 150 ) ! xMEO2+MECO3=MECO3+MEO2\n & + RXRAT( 151 ) ! xMEO2+RCO3=RCO3+MEO2\n & + RXRAT( 152 ) ! xMEO2+BZCO3=BZCO3+MEO2\n & + RXRAT( 153 ) ! xMEO2+MACO3=MACO3+MEO2\n\n PROD( xMECO3 ) = RXRAT( 214 ) ! ACETONE+OH=xMECO3+RO2C+...\n & + 5.1000D-01 * RXRAT( 216 ) ! MEK+OH=0.5100D+00*xMECO3+...\n & + 2.0100D-01 * RXRAT( 246 ) ! AFG1+OH=0.2010D+00*xMECO3+...\n & + 2.0100D-01 * RXRAT( 249 ) ! AFG2+OH=0.2010D+00*xMECO3+...\n & + 1.1700D-01 * RXRAT( 252 ) ! AFG3+OH=0.1170D+00*xMECO3+...\n & + 3.3000D-01 * RXRAT( 258 ) ! MACR=0.3300D+00*xMECO3+...\n & + 6.7500D-01 * RXRAT( 259 ) ! MVK+OH=0.6750D+00*xMECO3+...\n & + 2.9000D-02 * RXRAT( 267 ) ! PRD2+OH=0.2900D-01*xMECO3+...\n & + 1.0000D-03 * RXRAT( 553 ) ! APIN+O3=0.1000D-02*xMECO3+...\n & + 1.1000D-02 * RXRAT( 568 ) ! ALK4+OH=0.1100D-01*xMECO3+...\n & + 1.5600D-01 * RXRAT( 576 ) ! OLE2+O3=0.1560D+00*xMECO3+...\n & + 2.0200D-01 * RXRAT( 583 ) ! TERP+O3=0.2020D+00*xMECO3+...\n & + 2.0200D-01 * RXRAT( 587 ) ! SESQ+O3=0.2020D+00*xMECO3+...\n & + RXRAT( 616 ) ! ACETONE+CL=xMECO3+RO2C+...\n & + 8.5000D-02 * RXRAT( 617 ) ! MEK+CL=0.8500D-01*xMECO3+...\n & + 7.0000D-03 * RXRAT( 619 ) ! PRD2+CL=0.7000D-02*xMECO3+...\n & + 6.2500D-01 * RXRAT( 629 ) ! MVK+CL=0.6250D+00*xMECO3+...\n & + 3.4000D-02 * RXRAT( 670 ) ! APIN+CL=0.3400D-01*xMECO3+...\n & + 4.0000D-03 * RXRAT( 681 ) ! ALK4+CL=0.4000D-02*xMECO3+...\n & + 3.4000D-02 * RXRAT( 688 ) ! TERP+CL=0.3400D-01*xMECO3+...\n & + 3.4000D-02 * RXRAT( 689 ) ! SESQ+CL=0.3400D-01*xMECO3+...\n LOSS( xMECO3 ) = RXRAT( 154 ) ! xMECO3+NO=NO+MECO3\n & + RXRAT( 155 ) ! xMECO3+HO2=HO2\n & + RXRAT( 156 ) ! xMECO3+NO3=NO3+MECO3\n & + RXRAT( 157 ) ! xMECO3+MEO2=MEO2+0.5000D+...\n & + RXRAT( 158 ) ! xMECO3+RO2C=RO2C+0.5000D+...\n & + RXRAT( 159 ) ! xMECO3+RO2XC=RO2XC+0.5000D+...\n & + RXRAT( 160 ) ! xMECO3+MECO3=0.2000D+01*MECO3\n & + RXRAT( 161 ) ! xMECO3+RCO3=RCO3+MECO3\n & + RXRAT( 162 ) ! xMECO3+BZCO3=BZCO3+MECO3\n & + RXRAT( 163 ) ! xMECO3+MACO3=MACO3+MECO3\n\n PROD( xRCO3 ) = 7.4000D-02 * RXRAT( 216 ) ! MEK+OH=0.7400D-01*xRCO3+...\n & + 6.5200D-01 * RXRAT( 247 ) ! AFG1+O3=0.6520D+00*xRCO3+...\n & + 6.5200D-01 * RXRAT( 250 ) ! AFG2+O3=0.6520D+00*xRCO3+...\n & + 1.6300D-01 * RXRAT( 253 ) ! AFG3+O3=0.1630D+00*xRCO3+...\n & + 1.0000D-01 * RXRAT( 255 ) ! MACR+O3=0.1000D+00*xRCO3+...\n & + 5.0000D-02 * RXRAT( 260 ) ! MVK+O3=0.5000D-01*xRCO3+...\n & + 4.8000D-02 * RXRAT( 264 ) ! IPRD+O3=0.4800D-01*xRCO3+...\n & + 4.9000D-02 * RXRAT( 267 ) ! PRD2+OH=0.4900D-01*xRCO3+...\n & + 4.0000D-03 * RXRAT( 552 ) ! APIN+OH=0.4000D-02*xRCO3+...\n & + 2.9700D-01 * RXRAT( 553 ) ! APIN+O3=0.2970D+00*xRCO3+...\n & + 7.0000D-03 * RXRAT( 554 ) ! APIN+NO3=0.7000D-02*xRCO3+...\n & + 8.0000D-03 * RXRAT( 576 ) ! OLE2+O3=0.8000D-02*xRCO3+...\n & + 6.4000D-02 * RXRAT( 582 ) ! TERP+OH=0.6400D-01*xRCO3+...\n & + 5.9000D-02 * RXRAT( 583 ) ! TERP+O3=0.5900D-01*xRCO3+...\n & + 2.6000D-02 * RXRAT( 584 ) ! TERP+NO3=0.2600D-01*xRCO3+...\n & + 6.4000D-02 * RXRAT( 586 ) ! SESQ+OH=0.6400D-01*xRCO3+...\n & + 5.9000D-02 * RXRAT( 587 ) ! SESQ+O3=0.5900D-01*xRCO3+...\n & + 2.6000D-02 * RXRAT( 588 ) ! SESQ+NO3=0.2600D-01*xRCO3+...\n & + 3.6000D-02 * RXRAT( 617 ) ! MEK+CL=0.3600D-01*xRCO3+...\n & + 2.2000D-02 * RXRAT( 619 ) ! PRD2+CL=0.2200D-01*xRCO3+...\n & + 5.0000D-02 * RXRAT( 670 ) ! APIN+CL=0.5000D-01*xRCO3+...\n & + 5.0000D-02 * RXRAT( 688 ) ! TERP+CL=0.5000D-01*xRCO3+...\n & + 5.0000D-02 * RXRAT( 689 ) ! SESQ+CL=0.5000D-01*xRCO3+...\n LOSS( xRCO3 ) = RXRAT( 164 ) ! xRCO3+NO=NO+RCO3\n & + RXRAT( 165 ) ! xRCO3+HO2=HO2\n & + RXRAT( 166 ) ! xRCO3+NO3=NO3+RCO3\n & + RXRAT( 167 ) ! xRCO3+MEO2=MEO2+0.5000D+...\n & + RXRAT( 168 ) ! xRCO3+RO2C=RO2C+0.5000D+...\n & + RXRAT( 169 ) ! xRCO3+RO2XC=RO2XC+0.5000D+...\n & + RXRAT( 170 ) ! xRCO3+MECO3=MECO3+RCO3\n & + RXRAT( 171 ) ! xRCO3+RCO3=0.2000D+01*RCO3\n & + RXRAT( 172 ) ! xRCO3+BZCO3=BZCO3+RCO3\n & + RXRAT( 173 ) ! xRCO3+MACO3=MACO3+RCO3\n\n PROD( xMACO3 ) = 1.1800D-01 * RXRAT( 538 ) ! BUTADIENE13+O3P=0.1180D+...\n & + 1.9200D-01 * RXRAT( 540 ) ! ISOPRENE+O3=0.1920D+...\n & + 2.4000D-01 * RXRAT( 542 ) ! ISOPRENE+O3P=0.2400D+...\n & + 1.6000D-02 * RXRAT( 670 ) ! APIN+CL=0.1600D-01*xMACO3+...\n & + 1.6000D-02 * RXRAT( 688 ) ! TERP+CL=0.1600D-01*xMACO3+...\n & + 1.6000D-02 * RXRAT( 689 ) ! SESQ+CL=0.1600D-01*xMACO3+...\n LOSS( xMACO3 ) = RXRAT( 174 ) ! xMACO3+NO=NO+MACO3\n & + RXRAT( 175 ) ! xMACO3+HO2=HO2\n & + RXRAT( 176 ) ! xMACO3+NO3=NO3+MACO3\n & + RXRAT( 177 ) ! xMACO3+MEO2=MEO2+0.5000D+...\n & + RXRAT( 178 ) ! xMACO3+RO2C=RO2C+0.5000D+...\n & + RXRAT( 179 ) ! xMACO3+RO2XC=RO2XC+0.5000D+...\n & + RXRAT( 180 ) ! xMACO3+MECO3=MECO3+MACO3\n & + RXRAT( 181 ) ! xMACO3+RCO3=RCO3+MACO3\n & + RXRAT( 182 ) ! xMACO3+BZCO3=BZCO3+MACO3\n & + RXRAT( 183 ) ! xMACO3+MACO3=0.2000D+01*MACO3\n\n PROD( xTBUO ) = 2.3600D-01 * RXRAT( 567 ) ! ALK3+OH=0.2360D+00*xTBUO+...\n & + 9.4000D-02 * RXRAT( 680 ) ! ALK3+CL=0.9400D-01*xTBUO+...\n LOSS( xTBUO ) = RXRAT( 184 ) ! xTBUO+NO=NO+TBUO\n & + RXRAT( 185 ) ! xTBUO+HO2=HO2\n & + RXRAT( 186 ) ! xTBUO+NO3=NO3+TBUO\n & + RXRAT( 187 ) ! xTBUO+MEO2=MEO2+0.5000D+...\n & + RXRAT( 188 ) ! xTBUO+RO2C=RO2C+0.5000D+...\n & + RXRAT( 189 ) ! xTBUO+RO2XC=RO2XC+0.5000D+...\n & + RXRAT( 190 ) ! xTBUO+MECO3=MECO3+TBUO\n & + RXRAT( 191 ) ! xTBUO+RCO3=RCO3+TBUO\n & + RXRAT( 192 ) ! xTBUO+BZCO3=BZCO3+TBUO\n & + RXRAT( 193 ) ! xTBUO+MACO3=MACO3+TBUO\n\n PROD( xCO ) = 3.5000D-02 * RXRAT( 211 ) ! RCHO+OH=0.3500D-01*xCO+...\n & + 3.3400D-01 * RXRAT( 246 ) ! AFG1+OH=0.3340D+00*xCO+...\n & + 3.3400D-01 * RXRAT( 249 ) ! AFG2+OH=0.3340D+00*xCO+...\n & + 1.1400D-01 * RXRAT( 252 ) ! AFG3+OH=0.1140D+00*xCO+...\n & + 4.1600D-01 * RXRAT( 254 ) ! MACR+OH=0.4160D+00*xCO+...\n & + 5.0000D-01 * RXRAT( 256 ) ! MACR+NO3=0.5000D+00*xCO+...\n & + 3.3600D-01 * RXRAT( 263 ) ! IPRD+OH=0.3360D+00*xCO+...\n & + 5.7200D-01 * RXRAT( 265 ) ! IPRD+NO3=0.5720D+00*xCO+...\n & + 1.6700D-01 * RXRAT( 274 ) ! ACROLEIN+OH=0.1670D+00*xCO+...\n & + 3.1000D-02 * RXRAT( 276 ) ! ACROLEIN+NO3=0.3100D-...\n & + 2.7800D-01 * RXRAT( 530 ) ! ETHENE+O3P=0.2780D+00*xCO+...\n & + 1.1500D-01 * RXRAT( 538 ) ! BUTADIENE13+O3P=0.1150D+...\n & + 2.0000D-03 * RXRAT( 552 ) ! APIN+OH=0.2000D-02*xCO+...\n & + 5.1000D-02 * RXRAT( 553 ) ! APIN+O3=0.5100D-01*xCO+...\n & + 5.0000D-03 * RXRAT( 554 ) ! APIN+NO3=0.5000D-02*xCO+...\n & + 2.0000D-03 * RXRAT( 568 ) ! ALK4+OH=0.2000D-02*xCO+...\n & + 1.0000D-03 * RXRAT( 582 ) ! TERP+OH=0.1000D-02*xCO+...\n & + 1.2000D-02 * RXRAT( 584 ) ! TERP+NO3=0.1200D-01*xCO+...\n & + 1.0000D-03 * RXRAT( 586 ) ! SESQ+OH=0.1000D-02*xCO+...\n & + 1.2000D-02 * RXRAT( 588 ) ! SESQ+NO3=0.1200D-01*xCO+...\n & + 1.0000D-01 * RXRAT( 615 ) ! RCHO+CL=0.1000D+00*xCO+...\n & + 4.8400D-01 * RXRAT( 627 ) ! ACROLEIN+CL=0.4840D+00*xCO+...\n & + 5.4100D-01 * RXRAT( 628 ) ! MACR+CL=0.5410D+00*xCO+...\n & + 4.9800D-01 * RXRAT( 630 ) ! IPRD+CL=0.4980D+00*xCO+...\n & + 3.5000D-02 * RXRAT( 670 ) ! APIN+CL=0.3500D-01*xCO+...\n & + 3.0000D-03 * RXRAT( 681 ) ! ALK4+CL=0.3000D-02*xCO+...\n & + 3.5000D-02 * RXRAT( 688 ) ! TERP+CL=0.3500D-01*xCO+...\n & + 3.5000D-02 * RXRAT( 689 ) ! SESQ+CL=0.3500D-01*xCO+...\n LOSS( xCO ) = RXRAT( 194 ) ! xCO+NO=NO+CO\n & + RXRAT( 195 ) ! xCO+HO2=HO2\n & + RXRAT( 196 ) ! xCO+NO3=NO3+CO\n & + RXRAT( 197 ) ! xCO+MEO2=MEO2+0.5000D+00*CO\n & + RXRAT( 198 ) ! xCO+RO2C=RO2C+0.5000D+00*CO\n & + RXRAT( 199 ) ! xCO+RO2XC=RO2XC+0.5000D+00*CO\n & + RXRAT( 200 ) ! xCO+MECO3=MECO3+CO\n & + RXRAT( 201 ) ! xCO+RCO3=RCO3+CO\n & + RXRAT( 202 ) ! xCO+BZCO3=BZCO3+CO\n & + RXRAT( 203 ) ! xCO+MACO3=MACO3+CO\n\n PROD( CCHO ) = 1.0000D-03 * RXRAT( 267 ) ! PRD2+OH=0.1000D-02*CCHO+...\n & + 2.1400D-01 * RXRAT( 270 ) ! RNO3=0.2140D+00*CCHO+...\n & + RXRAT( 296 ) ! xCCHO+NO=CCHO+NO\n & + RXRAT( 298 ) ! xCCHO+NO3=CCHO+NO3\n & + 5.0000D-01 * RXRAT( 299 ) ! xCCHO+MEO2=0.5000D+00*CCHO+...\n & + 5.0000D-01 * RXRAT( 300 ) ! xCCHO+RO2C=0.5000D+00*CCHO+...\n & + 5.0000D-01 * RXRAT( 301 ) ! xCCHO+RO2XC=0.5000D+...\n & + RXRAT( 302 ) ! xCCHO+MECO3=CCHO+MECO3\n & + RXRAT( 303 ) ! xCCHO+RCO3=CCHO+RCO3\n & + RXRAT( 304 ) ! xCCHO+BZCO3=CCHO+BZCO3\n & + RXRAT( 305 ) ! xCCHO+MACO3=CCHO+MACO3\n & + 1.0000D-01 * RXRAT( 530 ) ! ETHENE+O3P=0.1000D+00*CCHO+...\n & + 5.0000D-01 * RXRAT( 532 ) ! PROPENE+O3=0.5000D+00*CCHO+...\n & + 9.5000D-01 * RXRAT( 564 ) ! ETOH+OH=0.9500D+00*CCHO+...\n & + 4.5300D-01 * RXRAT( 576 ) ! OLE2+O3=0.4530D+00*CCHO+...\n & + 6.8800D-01 * RXRAT( 677 ) ! ETOH+CL=0.6880D+00*CCHO+...\n LOSS( CCHO ) = RXRAT( 208 ) ! CCHO+OH=MECO3\n & + RXRAT( 209 ) ! CCHO=CO+HO2+MEO2\n & + RXRAT( 210 ) ! CCHO+NO3=HNO3+MECO3\n & + RXRAT( 613 ) ! CCHO+CL=HCL+MECO3\n\n PROD( RCHO ) = 7.4400D-01 * RXRAT( 224 ) ! ROOH+OH=0.7440D+00*RCHO+...\n & + RXRAT( 225 ) ! ROOH=RCHO+HO2+OH\n & + 8.5000D-02 * RXRAT( 227 ) ! R6OOH=0.8500D-01*RCHO+...\n & + RXRAT( 257 ) ! MACR+O3P=RCHO\n & + 4.5000D-01 * RXRAT( 261 ) ! MVK+O3P=0.4500D+00*RCHO+...\n & + 1.4300D-01 * RXRAT( 267 ) ! PRD2+OH=0.1430D+00*RCHO+...\n & + 1.0000D-03 * RXRAT( 269 ) ! RNO3+OH=0.1000D-02*RCHO+...\n & + 7.4000D-02 * RXRAT( 270 ) ! RNO3=0.7400D-01*RCHO+...\n & + RXRAT( 277 ) ! ACROLEIN+O3P=RCHO\n & + RXRAT( 306 ) ! xRCHO+NO=RCHO+NO\n & + RXRAT( 308 ) ! xRCHO+NO3=RCHO+NO3\n & + 5.0000D-01 * RXRAT( 309 ) ! xRCHO+MEO2=0.5000D+00*RCHO+...\n & + 5.0000D-01 * RXRAT( 310 ) ! xRCHO+RO2C=0.5000D+00*RCHO+...\n & + 5.0000D-01 * RXRAT( 311 ) ! xRCHO+RO2XC=0.5000D+...\n & + RXRAT( 312 ) ! xRCHO+MECO3=RCHO+MECO3\n & + RXRAT( 313 ) ! xRCHO+RCO3=RCHO+RCO3\n & + RXRAT( 314 ) ! xRCHO+BZCO3=RCHO+BZCO3\n & + RXRAT( 315 ) ! xRCHO+MACO3=RCHO+MACO3\n & + 4.5000D-01 * RXRAT( 534 ) ! PROPENE+O3P=0.4500D+...\n & + 6.1000D-01 * RXRAT( 544 ) ! ISOPOOH+OH=0.6100D+00*RCHO+...\n & + 1.1000D-01 * RXRAT( 545 ) ! ISOPOOH=0.1100D+00*RCHO+...\n & + 5.0000D-01 * RXRAT( 572 ) ! OLE1+O3=0.5000D+00*RCHO+...\n & + 4.5000D-01 * RXRAT( 574 ) ! OLE1+O3P=0.4500D+00*RCHO+...\n & + 3.3300D-01 * RXRAT( 576 ) ! OLE2+O3=0.3330D+00*RCHO+...\n & + 7.9000D-02 * RXRAT( 578 ) ! OLE2+O3P=0.7900D-01*RCHO+...\n & + 2.3700D-01 * RXRAT( 585 ) ! TERP+O3P=0.2370D+00*RCHO+...\n & + 2.3700D-01 * RXRAT( 589 ) ! SESQ+O3P=0.2370D+00*RCHO+...\n & + 9.0000D-03 * RXRAT( 618 ) ! RNO3+CL=0.9000D-02*RCHO+...\n & + 1.9800D-01 * RXRAT( 619 ) ! PRD2+CL=0.1980D+00*RCHO+...\n & + 4.1400D-01 * RXRAT( 624 ) ! ROOH+CL=0.4140D+00*RCHO+...\n LOSS( RCHO ) = RXRAT( 211 ) ! RCHO+OH=0.9650D+00*RCO3+...\n & + RXRAT( 212 ) ! RCHO=RO2C+xHO2+yROOH+xCCHO+...\n & + RXRAT( 213 ) ! RCHO+NO3=HNO3+RCO3\n & + RXRAT( 615 ) ! RCHO+CL=HCL+0.9000D+...\n\n PROD( xHCHO ) = RXRAT( 214 ) ! ACETONE+OH=xHCHO+xMECO3+...\n & + 8.8000D-02 * RXRAT( 216 ) ! MEK+OH=0.8800D-01*xHCHO+...\n & + 1.2000D-02 * RXRAT( 224 ) ! ROOH+OH=0.1200D-01*xHCHO+...\n & + 6.5200D-01 * RXRAT( 247 ) ! AFG1+O3=0.6520D+00*xHCHO+...\n & + 6.5200D-01 * RXRAT( 250 ) ! AFG2+O3=0.6520D+00*xHCHO+...\n & + 1.6300D-01 * RXRAT( 253 ) ! AFG3+O3=0.1630D+00*xHCHO+...\n & + 8.4000D-02 * RXRAT( 254 ) ! MACR+OH=0.8400D-01*xHCHO+...\n & + 1.0000D-01 * RXRAT( 255 ) ! MACR+O3=0.1000D+00*xHCHO+...\n & + 3.3000D-01 * RXRAT( 258 ) ! MACR=0.3300D+00*xHCHO+...\n & + 3.0000D-01 * RXRAT( 259 ) ! MVK+OH=0.3000D+00*xHCHO+...\n & + 5.0000D-02 * RXRAT( 260 ) ! MVK+O3=0.5000D-01*xHCHO+...\n & + 5.5000D-02 * RXRAT( 263 ) ! IPRD+OH=0.5500D-01*xHCHO+...\n & + 1.0000D-03 * RXRAT( 264 ) ! IPRD+O3=0.1000D-02*xHCHO+...\n & + 2.2700D-01 * RXRAT( 265 ) ! IPRD+NO3=0.2270D+00*xHCHO+...\n & + 2.1100D-01 * RXRAT( 267 ) ! PRD2+OH=0.2110D+00*xHCHO+...\n & + 3.0300D-01 * RXRAT( 268 ) ! PRD2=0.3030D+00*xHCHO+...\n & + 1.1000D-02 * RXRAT( 269 ) ! RNO3+OH=0.1100D-01*xHCHO+...\n & + 6.1000D-02 * RXRAT( 270 ) ! RNO3=0.6100D-01*xHCHO+...\n & + 8.3000D-02 * RXRAT( 274 ) ! ACROLEIN+OH=0.8300D-...\n & + 2.0000D-02 * RXRAT( 279 ) ! CCOOOH+OH=0.2000D-01*xHCHO+...\n & + 1.6100D+00 * RXRAT( 527 ) ! ETHENE+OH=0.1610D+01*xHCHO+...\n & + 2.7800D-01 * RXRAT( 530 ) ! ETHENE+O3P=0.2780D+...\n & + 9.8400D-01 * RXRAT( 531 ) ! PROPENE+OH=0.9840D+...\n & + 7.0800D-01 * RXRAT( 535 ) ! BUTADIENE13+OH=0.7080D+...\n & + 1.1500D-01 * RXRAT( 537 ) ! BUTADIENE13+NO3=0.1150D+...\n & + 6.2400D-01 * RXRAT( 539 ) ! ISOPRENE+OH=0.6240D+...\n & + 1.9200D-01 * RXRAT( 540 ) ! ISOPRENE+O3=0.1920D+...\n & + 2.4000D-01 * RXRAT( 542 ) ! ISOPRENE+O3P=0.2400D+...\n & + 2.6000D-01 * RXRAT( 544 ) ! ISOPOOH+OH=0.2600D+...\n & + 2.2000D-02 * RXRAT( 552 ) ! APIN+OH=0.2200D-01*xHCHO+...\n & + 3.4400D-01 * RXRAT( 553 ) ! APIN+O3=0.3440D+00*xHCHO+...\n & + 7.0000D-03 * RXRAT( 554 ) ! APIN+NO3=0.7000D-02*xHCHO+...\n & + 8.1000D-02 * RXRAT( 564 ) ! ETOH+OH=0.8100D-01*xHCHO+...\n & + 2.6000D-02 * RXRAT( 567 ) ! ALK3+OH=0.2600D-01*xHCHO+...\n & + 2.9000D-02 * RXRAT( 568 ) ! ALK4+OH=0.2900D-01*xHCHO+...\n & + 4.0000D-02 * RXRAT( 569 ) ! ALK5+OH=0.4000D-01*xHCHO+...\n & + 5.8200D-01 * RXRAT( 571 ) ! OLE1+OH=0.5820D+00*xHCHO+...\n & + 1.7900D-01 * RXRAT( 575 ) ! OLE2+OH=0.1790D+00*xHCHO+...\n & + 1.1400D-01 * RXRAT( 576 ) ! OLE2+O3=0.1140D+00*xHCHO+...\n & + 7.2000D-02 * RXRAT( 577 ) ! OLE2+NO3=0.7200D-01*xHCHO+...\n & + 4.1100D-01 * RXRAT( 582 ) ! TERP+OH=0.4110D+00*xHCHO+...\n & + 3.3000D-02 * RXRAT( 583 ) ! TERP+O3=0.3300D-01*xHCHO+...\n & + 2.3000D-02 * RXRAT( 584 ) ! TERP+NO3=0.2300D-01*xHCHO+...\n & + 4.1100D-01 * RXRAT( 586 ) ! SESQ+OH=0.4110D+00*xHCHO+...\n & + 3.3000D-02 * RXRAT( 587 ) ! SESQ+O3=0.3300D-01*xHCHO+...\n & + 2.3000D-02 * RXRAT( 588 ) ! SESQ+NO3=0.2300D-01*xHCHO+...\n & + RXRAT( 616 ) ! ACETONE+CL=xHCHO+RO2C+HCL+...\n & + 6.5000D-02 * RXRAT( 617 ) ! MEK+CL=0.6500D-01*xHCHO+...\n & + 4.5000D-02 * RXRAT( 618 ) ! RNO3+CL=0.4500D-01*xHCHO+...\n & + 2.3700D-01 * RXRAT( 619 ) ! PRD2+CL=0.2370D+00*xHCHO+...\n & + 1.0600D-01 * RXRAT( 624 ) ! ROOH+CL=0.1060D+00*xHCHO+...\n & + 2.7400D-01 * RXRAT( 627 ) ! ACROLEIN+CL=0.2740D+...\n & + 1.9500D-01 * RXRAT( 630 ) ! IPRD+CL=0.1950D+00*xHCHO+...\n & + RXRAT( 631 ) ! CLCCHO=xHCHO+CO+RO2C+xCL+...\n & + RXRAT( 634 ) ! CLACET=xHCHO+RO2C+xCL+...\n & + RXRAT( 666 ) ! ETHENE+CL=xHCHO+0.2000D+...\n & + 8.6300D-01 * RXRAT( 668 ) ! BUTADIENE13+CL=0.8630D+...\n & + 2.7500D-01 * RXRAT( 669 ) ! ISOPRENE+CL=0.2750D+...\n & + 1.5800D-01 * RXRAT( 670 ) ! APIN+CL=0.1580D+00*xHCHO+...\n & + 5.0300D-01 * RXRAT( 677 ) ! ETOH+CL=0.5030D+00*xHCHO+...\n & + 7.8000D-02 * RXRAT( 680 ) ! ALK3+CL=0.7800D-01*xHCHO+...\n & + 3.4000D-02 * RXRAT( 681 ) ! ALK4+CL=0.3400D-01*xHCHO+...\n & + 2.2000D-02 * RXRAT( 682 ) ! ALK5+CL=0.2200D-01*xHCHO+...\n & + 3.6000D-02 * RXRAT( 683 ) ! OLE1+CL=0.3600D-01*xHCHO+...\n & + 1.9000D-01 * RXRAT( 684 ) ! OLE2+CL=0.1900D+00*xHCHO+...\n & + 1.5800D-01 * RXRAT( 688 ) ! TERP+CL=0.1580D+00*xHCHO+...\n & + 1.5800D-01 * RXRAT( 689 ) ! SESQ+CL=0.1580D+00*xHCHO+...\n LOSS( xHCHO ) = RXRAT( 286 ) ! xHCHO+NO=NO+HCHO\n & + RXRAT( 287 ) ! xHCHO+HO2=HO2\n & + RXRAT( 288 ) ! xHCHO+NO3=NO3+HCHO\n & + RXRAT( 289 ) ! xHCHO+MEO2=MEO2+0.5000D+...\n & + RXRAT( 290 ) ! xHCHO+RO2C=RO2C+0.5000D+...\n & + RXRAT( 291 ) ! xHCHO+RO2XC=RO2XC+0.5000D+...\n & + RXRAT( 292 ) ! xHCHO+MECO3=MECO3+HCHO\n & + RXRAT( 293 ) ! xHCHO+RCO3=RCO3+HCHO\n & + RXRAT( 294 ) ! xHCHO+BZCO3=BZCO3+HCHO\n & + RXRAT( 295 ) ! xHCHO+MACO3=MACO3+HCHO\n\n PROD( MEK ) = 5.5000D-01 * RXRAT( 261 ) ! MVK+O3P=0.5500D+00*MEK+...\n & + 2.1000D-01 * RXRAT( 264 ) ! IPRD+O3=0.2100D+00*MEK+...\n & + 2.3300D-01 * RXRAT( 266 ) ! IPRD=0.2330D+00*MEK+...\n & + 1.0000D-02 * RXRAT( 269 ) ! RNO3+OH=0.1000D-01*MEK+...\n & + 1.2400D-01 * RXRAT( 270 ) ! RNO3=0.1240D+00*MEK+...\n & + RXRAT( 326 ) ! xMEK+NO=MEK+NO\n & + RXRAT( 328 ) ! xMEK+NO3=MEK+NO3\n & + 5.0000D-01 * RXRAT( 329 ) ! xMEK+MEO2=0.5000D+00*MEK+MEO2\n & + 5.0000D-01 * RXRAT( 330 ) ! xMEK+RO2C=0.5000D+00*MEK+RO2C\n & + 5.0000D-01 * RXRAT( 331 ) ! xMEK+RO2XC=0.5000D+00*MEK+...\n & + RXRAT( 332 ) ! xMEK+MECO3=MEK+MECO3\n & + RXRAT( 333 ) ! xMEK+RCO3=MEK+RCO3\n & + RXRAT( 334 ) ! xMEK+BZCO3=MEK+BZCO3\n & + RXRAT( 335 ) ! xMEK+MACO3=MEK+MACO3\n & + 5.0000D-01 * RXRAT( 459 ) ! yROOH+MEO2=0.5000D+00*MEK+MEO2\n & + 5.0000D-01 * RXRAT( 460 ) ! yROOH+RO2C=0.5000D+00*MEK+RO2C\n & + 5.0000D-01 * RXRAT( 461 ) ! yROOH+RO2XC=0.5000D+00*MEK+...\n & + 5.5000D-01 * RXRAT( 534 ) ! PROPENE+O3P=0.5500D+00*MEK+...\n & + 7.2500D-01 * RXRAT( 547 ) ! IEPOXOO+HO2=0.7250D+00*MEK+...\n & + 7.2500D-01 * RXRAT( 548 ) ! IEPOXOO+NO=0.7250D+00*MEK+...\n & + 3.6300D-01 * RXRAT( 549 ) ! IEPOXOO+MEO2=0.3630D+...\n & + 3.6300D-01 * RXRAT( 550 ) ! IEPOXOO+RO2C=0.3630D+...\n & + 7.2500D-01 * RXRAT( 551 ) ! IEPOXOO+MECO3=0.7250D+...\n & + 8.0000D-03 * RXRAT( 553 ) ! APIN+O3=0.8000D-02*MEK+...\n & + 9.0000D-03 * RXRAT( 572 ) ! OLE1+O3=0.9000D-02*MEK+...\n & + 3.9000D-01 * RXRAT( 574 ) ! OLE1+O3P=0.3900D+00*MEK+...\n & + 3.3000D-02 * RXRAT( 576 ) ! OLE2+O3=0.3300D-01*MEK+...\n & + 7.5100D-01 * RXRAT( 578 ) ! OLE2+O3P=0.7510D+00*MEK+...\n & + 2.0000D-03 * RXRAT( 583 ) ! TERP+O3=0.2000D-02*MEK+...\n & + 2.0000D-03 * RXRAT( 587 ) ! SESQ+O3=0.2000D-02*MEK+...\n & + 1.8000D-02 * RXRAT( 618 ) ! RNO3+CL=0.1800D-01*MEK+...\n LOSS( MEK ) = RXRAT( 216 ) ! MEK+OH=0.9670D+00*RO2C+...\n & + RXRAT( 217 ) ! MEK=MECO3+RO2C+xHO2+xCCHO+...\n & + RXRAT( 617 ) ! MEK+CL=HCL+0.9750D+00*RO2C+...\n\n PROD( zRNO3 ) = 3.9000D-02 * RXRAT( 216 ) ! MEK+OH=0.3900D-01*zRNO3+...\n & + 4.0000D-03 * RXRAT( 224 ) ! ROOH+OH=0.4000D-02*zRNO3+...\n & + 2.9000D-02 * RXRAT( 226 ) ! R6OOH+OH=0.2900D-01*zRNO3+...\n & + 7.7000D-02 * RXRAT( 227 ) ! R6OOH=0.7700D-01*zRNO3+...\n & + 1.2400D-01 * RXRAT( 228 ) ! RAOOH+OH=0.1240D+00*zRNO3+...\n & + 6.0000D-02 * RXRAT( 246 ) ! AFG1+OH=0.6000D-01*zRNO3+...\n & + 6.0000D-02 * RXRAT( 249 ) ! AFG2+OH=0.6000D-01*zRNO3+...\n & + 1.1700D-01 * RXRAT( 252 ) ! AFG3+OH=0.1170D+00*zRNO3+...\n & + 7.0000D-03 * RXRAT( 253 ) ! AFG3+O3=0.7000D-02*zRNO3+...\n & + 2.5000D-02 * RXRAT( 259 ) ! MVK+OH=0.2500D-01*zRNO3+...\n & + 4.1000D-02 * RXRAT( 263 ) ! IPRD+OH=0.4100D-01*zRNO3+...\n & + 5.1000D-02 * RXRAT( 265 ) ! IPRD+NO3=0.5100D-01*zRNO3+...\n & + 7.1000D-02 * RXRAT( 267 ) ! PRD2+OH=0.7100D-01*zRNO3+...\n & + 8.7000D-02 * RXRAT( 268 ) ! PRD2=0.8700D-01*zRNO3+...\n & + 1.7500D-01 * RXRAT( 269 ) ! RNO3+OH=0.1750D+00*zRNO3+...\n & + 1.0200D-01 * RXRAT( 270 ) ! RNO3=0.1020D+00*zRNO3+...\n & + 2.0000D-03 * RXRAT( 276 ) ! ACROLEIN+NO3=0.2000D-...\n & + 1.6000D-02 * RXRAT( 531 ) ! PROPENE+OH=0.1600D-...\n & + 5.1000D-02 * RXRAT( 533 ) ! PROPENE+NO3=0.5100D-...\n & + 4.9000D-02 * RXRAT( 535 ) ! BUTADIENE13+OH=0.4900D-...\n & + 6.5000D-02 * RXRAT( 537 ) ! BUTADIENE13+NO3=0.6500D-...\n & + 1.5000D-02 * RXRAT( 538 ) ! BUTADIENE13+O3P=0.1500D-...\n & + 9.3000D-02 * RXRAT( 539 ) ! ISOPRENE+OH=0.9300D-...\n & + 8.0000D-03 * RXRAT( 540 ) ! ISOPRENE+O3=0.8000D-...\n & + 6.4000D-02 * RXRAT( 541 ) ! ISOPRENE+NO3=0.6400D-...\n & + 1.0000D-02 * RXRAT( 542 ) ! ISOPRENE+O3P=0.1000D-...\n & + 1.9700D-01 * RXRAT( 552 ) ! APIN+OH=0.1970D+00*zRNO3+...\n & + 3.3700D-01 * RXRAT( 553 ) ! APIN+O3=0.3370D+00*zRNO3+...\n & + 2.9300D-01 * RXRAT( 554 ) ! APIN+NO3=0.2930D+00*zRNO3+...\n & + 2.4000D-02 * RXRAT( 558 ) ! BENZENE+OH=0.2400D-...\n & + 5.4000D-02 * RXRAT( 559 ) ! TOLUENE+OH=0.5400D-...\n & + 8.2000D-02 * RXRAT( 560 ) ! MXYL+OH=0.8200D-01*zRNO3+...\n & + 8.7000D-02 * RXRAT( 561 ) ! OXYL+OH=0.8700D-01*zRNO3+...\n & + 7.6000D-02 * RXRAT( 562 ) ! PXYL+OH=0.7600D-01*zRNO3+...\n & + 1.2100D-01 * RXRAT( 563 ) ! TMBENZ124+OH=0.1210D+...\n & + 3.5000D-02 * RXRAT( 566 ) ! ALK2+OH=0.3500D-01*zRNO3+...\n & + 7.0000D-02 * RXRAT( 567 ) ! ALK3+OH=0.7000D-01*zRNO3+...\n & + 1.4900D-01 * RXRAT( 568 ) ! ALK4+OH=0.1490D+00*zRNO3+...\n & + 3.5300D-01 * RXRAT( 569 ) ! ALK5+OH=0.3530D+00*zRNO3+...\n & + 1.2800D-01 * RXRAT( 571 ) ! OLE1+OH=0.1280D+00*zRNO3+...\n & + 5.0000D-03 * RXRAT( 572 ) ! OLE1+O3=0.5000D-02*zRNO3+...\n & + 2.2800D-01 * RXRAT( 573 ) ! OLE1+NO3=0.2280D+00*zRNO3+...\n & + 8.8000D-02 * RXRAT( 575 ) ! OLE2+OH=0.8800D-01*zRNO3+...\n & + 3.0000D-03 * RXRAT( 576 ) ! OLE2+O3=0.3000D-02*zRNO3+...\n & + 1.4000D-01 * RXRAT( 577 ) ! OLE2+NO3=0.1400D+00*zRNO3+...\n & + 1.1000D-01 * RXRAT( 579 ) ! ARO1+OH=0.1100D+00*zRNO3+...\n & + 1.2800D-01 * RXRAT( 580 ) ! ARO2MN+OH=0.1280D+00*zRNO3+...\n & + 1.2800D-01 * RXRAT( 581 ) ! NAPHTHAL+OH=0.1280D+...\n & + 2.0100D-01 * RXRAT( 582 ) ! TERP+OH=0.2010D+00*zRNO3+...\n & + 1.2100D-01 * RXRAT( 583 ) ! TERP+O3=0.1210D+00*zRNO3+...\n & + 4.6000D-01 * RXRAT( 584 ) ! TERP+NO3=0.4600D+00*zRNO3+...\n & + 2.0100D-01 * RXRAT( 586 ) ! SESQ+OH=0.2010D+00*zRNO3+...\n & + 1.2100D-01 * RXRAT( 587 ) ! SESQ+O3=0.1210D+00*zRNO3+...\n & + 4.6000D-01 * RXRAT( 588 ) ! SESQ+NO3=0.4600D+00*zRNO3+...\n & + 3.9000D-02 * RXRAT( 617 ) ! MEK+CL=0.3900D-01*zRNO3+...\n & + 2.0200D-01 * RXRAT( 618 ) ! RNO3+CL=0.2020D+00*zRNO3+...\n & + 1.1600D-01 * RXRAT( 619 ) ! PRD2+CL=0.1160D+00*zRNO3+...\n & + 1.1700D-01 * RXRAT( 625 ) ! R6OOH+CL=0.1170D+00*zRNO3+...\n & + 1.2400D-01 * RXRAT( 626 ) ! RAOOH+CL=0.1240D+00*zRNO3+...\n & + 2.6000D-02 * RXRAT( 627 ) ! ACROLEIN+CL=0.2600D-...\n & + 3.3000D-02 * RXRAT( 628 ) ! MACR+CL=0.3300D-01*zRNO3+...\n & + 5.3000D-02 * RXRAT( 629 ) ! MVK+CL=0.5300D-01*zRNO3+...\n & + 5.1000D-02 * RXRAT( 630 ) ! IPRD+CL=0.5100D-01*zRNO3+...\n & + 2.9000D-02 * RXRAT( 667 ) ! PROPENE+CL=0.2900D-...\n & + 6.9000D-02 * RXRAT( 668 ) ! BUTADIENE13+CL=0.6900D-...\n & + 8.5000D-02 * RXRAT( 669 ) ! ISOPRENE+CL=0.8500D-...\n & + 5.8200D-01 * RXRAT( 670 ) ! APIN+CL=0.5820D+00*zRNO3+...\n & + 1.0600D-01 * RXRAT( 672 ) ! TOLUENE+CL=0.1060D+...\n & + 1.3600D-01 * RXRAT( 673 ) ! MXYL+CL=0.1360D+00*zRNO3+...\n & + 1.3600D-01 * RXRAT( 674 ) ! OXYL+CL=0.1360D+00*zRNO3+...\n & + 1.3600D-01 * RXRAT( 675 ) ! PXYL+CL=0.1360D+00*zRNO3+...\n & + 1.6200D-01 * RXRAT( 676 ) ! TMBENZ124+CL=0.1620D+...\n & + 3.0000D-02 * RXRAT( 679 ) ! ALK2+CL=0.3000D-01*zRNO3+...\n & + 7.0000D-02 * RXRAT( 680 ) ! ALK3+CL=0.7000D-01*zRNO3+...\n & + 1.6500D-01 * RXRAT( 681 ) ! ALK4+CL=0.1650D+00*zRNO3+...\n & + 3.5200D-01 * RXRAT( 682 ) ! ALK5+CL=0.3520D+00*zRNO3+...\n & + 1.2700D-01 * RXRAT( 683 ) ! OLE1+CL=0.1270D+00*zRNO3+...\n & + 1.0600D-01 * RXRAT( 684 ) ! OLE2+CL=0.1060D+00*zRNO3+...\n & + 1.6000D-01 * RXRAT( 685 ) ! ARO1+CL=0.1600D+00*zRNO3+...\n & + 1.7200D-01 * RXRAT( 686 ) ! ARO2MN+CL=0.1720D+00*zRNO3+...\n & + 1.7200D-01 * RXRAT( 687 ) ! NAPHTHAL+CL=0.1720D+...\n & + 5.8200D-01 * RXRAT( 688 ) ! TERP+CL=0.5820D+00*zRNO3+...\n & + 5.8200D-01 * RXRAT( 689 ) ! SESQ+CL=0.5820D+00*zRNO3+...\n LOSS( zRNO3 ) = RXRAT( 496 ) ! zRNO3+NO=NO+RNO3\n & + RXRAT( 497 ) ! zRNO3+HO2=HO2\n & + RXRAT( 498 ) ! zRNO3+NO3=NO3+PRD2+HO2\n & + RXRAT( 499 ) ! zRNO3+MEO2=MEO2+0.5000D+...\n & + RXRAT( 500 ) ! zRNO3+RO2C=RO2C+0.5000D+...\n & + RXRAT( 501 ) ! zRNO3+RO2XC=RO2XC+0.5000D+...\n & + RXRAT( 502 ) ! zRNO3+MECO3=MECO3+PRD2+HO2\n & + RXRAT( 503 ) ! zRNO3+RCO3=RCO3+PRD2+HO2\n & + RXRAT( 504 ) ! zRNO3+BZCO3=BZCO3+PRD2+HO2\n & + RXRAT( 505 ) ! zRNO3+MACO3=MACO3+PRD2+HO2\n\n PROD( xRCHO ) = 3.7600D-01 * RXRAT( 216 ) ! MEK+OH=0.3760D+00*xRCHO+...\n & + 4.0000D-01 * RXRAT( 221 ) ! RCOOH+OH=0.4000D+00*xRCHO+...\n & + 2.0500D-01 * RXRAT( 224 ) ! ROOH+OH=0.2050D+00*xRCHO+...\n & + 7.5000D-02 * RXRAT( 226 ) ! R6OOH+OH=0.7500D-01*xRCHO+...\n & + 5.8000D-02 * RXRAT( 227 ) ! R6OOH=0.5800D-01*xRCHO+...\n & + 4.4800D-01 * RXRAT( 228 ) ! RAOOH+OH=0.4480D+00*xRCHO+...\n & + 4.0700D-01 * RXRAT( 246 ) ! AFG1+OH=0.4070D+00*xRCHO+...\n & + 4.0700D-01 * RXRAT( 249 ) ! AFG2+OH=0.4070D+00*xRCHO+...\n & + 1.3000D-02 * RXRAT( 263 ) ! IPRD+OH=0.1300D-01*xRCHO+...\n & + 2.1800D-01 * RXRAT( 265 ) ! IPRD+NO3=0.2180D+00*xRCHO+...\n & + 4.0200D-01 * RXRAT( 267 ) ! PRD2+OH=0.4020D+00*xRCHO+...\n & + 7.8000D-01 * RXRAT( 268 ) ! PRD2=0.7800D+00*xRCHO+...\n & + 3.6000D-02 * RXRAT( 269 ) ! RNO3+OH=0.3600D-01*xRCHO+...\n & + 6.3000D-02 * RXRAT( 270 ) ! RNO3=0.6300D-01*xRCHO+...\n & + 8.4000D-02 * RXRAT( 281 ) ! RCOOOH+OH=0.8400D-01*xRCHO+...\n & + RXRAT( 529 ) ! ETHENE+NO3=xRCHO+RO2C+xHO2+...\n & + 4.0000D-02 * RXRAT( 544 ) ! ISOPOOH+OH=0.4000D-...\n & + 7.7600D-01 * RXRAT( 552 ) ! APIN+OH=0.7760D+00*xRCHO+...\n & + 2.4000D-01 * RXRAT( 553 ) ! APIN+O3=0.2400D+00*xRCHO+...\n & + 6.8400D-01 * RXRAT( 554 ) ! APIN+NO3=0.6840D+00*xRCHO+...\n & + 2.6100D-01 * RXRAT( 566 ) ! ALK2+OH=0.2610D+00*xRCHO+...\n & + 1.2200D-01 * RXRAT( 567 ) ! ALK3+OH=0.1220D+00*xRCHO+...\n & + 2.3600D-01 * RXRAT( 568 ) ! ALK4+OH=0.2360D+00*xRCHO+...\n & + 2.0900D-01 * RXRAT( 569 ) ! ALK5+OH=0.2090D+00*xRCHO+...\n & + 6.6600D-01 * RXRAT( 571 ) ! OLE1+OH=0.6660D+00*xRCHO+...\n & + 4.4000D-02 * RXRAT( 572 ) ! OLE1+O3=0.4400D-01*xRCHO+...\n & + 3.0000D-03 * RXRAT( 573 ) ! OLE1+NO3=0.3000D-02*xRCHO+...\n & + 5.1000D-01 * RXRAT( 575 ) ! OLE2+OH=0.5100D+00*xRCHO+...\n & + 1.9000D-02 * RXRAT( 576 ) ! OLE2+O3=0.1900D-01*xRCHO+...\n & + 1.6300D-01 * RXRAT( 577 ) ! OLE2+NO3=0.1630D+00*xRCHO+...\n & + 3.8500D-01 * RXRAT( 582 ) ! TERP+OH=0.3850D+00*xRCHO+...\n & + 2.0800D-01 * RXRAT( 583 ) ! TERP+O3=0.2080D+00*xRCHO+...\n & + 4.0300D-01 * RXRAT( 584 ) ! TERP+NO3=0.4030D+00*xRCHO+...\n & + 3.8500D-01 * RXRAT( 586 ) ! SESQ+OH=0.3850D+00*xRCHO+...\n & + 2.0800D-01 * RXRAT( 587 ) ! SESQ+O3=0.2080D+00*xRCHO+...\n & + 4.0300D-01 * RXRAT( 588 ) ! SESQ+NO3=0.4030D+00*xRCHO+...\n & + 8.4000D-01 * RXRAT( 617 ) ! MEK+CL=0.8400D+00*xRCHO+...\n & + 2.0000D-02 * RXRAT( 618 ) ! RNO3+CL=0.2000D-01*xRCHO+...\n & + 5.9100D-01 * RXRAT( 619 ) ! PRD2+CL=0.5910D+00*xRCHO+...\n & + 1.9700D-01 * RXRAT( 624 ) ! ROOH+CL=0.1970D+00*xRCHO+...\n & + 6.7600D-01 * RXRAT( 625 ) ! R6OOH+CL=0.6760D+00*xRCHO+...\n & + 4.4800D-01 * RXRAT( 626 ) ! RAOOH+CL=0.4480D+00*xRCHO+...\n & + 1.8500D-01 * RXRAT( 670 ) ! APIN+CL=0.1850D+00*xRCHO+...\n & + 4.8200D-01 * RXRAT( 679 ) ! ALK2+CL=0.4820D+00*xRCHO+...\n & + 3.4300D-01 * RXRAT( 680 ) ! ALK3+CL=0.3430D+00*xRCHO+...\n & + 4.1200D-01 * RXRAT( 681 ) ! ALK4+CL=0.4120D+00*xRCHO+...\n & + 2.5800D-01 * RXRAT( 682 ) ! ALK5+CL=0.2580D+00*xRCHO+...\n & + 7.2000D-02 * RXRAT( 683 ) ! OLE1+CL=0.7200D-01*xRCHO+...\n & + 3.1700D-01 * RXRAT( 684 ) ! OLE2+CL=0.3170D+00*xRCHO+...\n & + 1.8500D-01 * RXRAT( 688 ) ! TERP+CL=0.1850D+00*xRCHO+...\n & + 1.8500D-01 * RXRAT( 689 ) ! SESQ+CL=0.1850D+00*xRCHO+...\n LOSS( xRCHO ) = RXRAT( 306 ) ! xRCHO+NO=NO+RCHO\n & + RXRAT( 307 ) ! xRCHO+HO2=HO2\n & + RXRAT( 308 ) ! xRCHO+NO3=NO3+RCHO\n & + RXRAT( 309 ) ! xRCHO+MEO2=MEO2+0.5000D+...\n & + RXRAT( 310 ) ! xRCHO+RO2C=RO2C+0.5000D+...\n & + RXRAT( 311 ) ! xRCHO+RO2XC=RO2XC+0.5000D+...\n & + RXRAT( 312 ) ! xRCHO+MECO3=MECO3+RCHO\n & + RXRAT( 313 ) ! xRCHO+RCO3=RCO3+RCHO\n & + RXRAT( 314 ) ! xRCHO+BZCO3=BZCO3+RCHO\n & + RXRAT( 315 ) ! xRCHO+MACO3=MACO3+RCHO\n\n PROD( HCOOH ) = 3.3300D-01 * RXRAT( 255 ) ! MACR+O3=0.3330D+00*HCOOH+...\n & + 3.5100D-01 * RXRAT( 260 ) ! MVK+O3=0.3510D+00*HCOOH+...\n & + 1.0000D-01 * RXRAT( 264 ) ! IPRD+O3=0.1000D+00*HCOOH+...\n & + 1.8500D-01 * RXRAT( 275 ) ! ACROLEIN+O3=0.1850D+...\n & + 3.7000D-01 * RXRAT( 528 ) ! ETHENE+O3=0.3700D+00*HCOOH+...\n & + 1.8500D-01 * RXRAT( 532 ) ! PROPENE+O3=0.1850D+...\n & + 1.8500D-01 * RXRAT( 536 ) ! BUTADIENE13+O3=0.1850D+...\n & + 2.0400D-01 * RXRAT( 540 ) ! ISOPRENE+O3=0.2040D+...\n & + 7.4000D-02 * RXRAT( 547 ) ! IEPOXOO+HO2=0.7400D-...\n & + 7.4000D-02 * RXRAT( 548 ) ! IEPOXOO+NO=0.7400D-...\n & + 3.7000D-02 * RXRAT( 549 ) ! IEPOXOO+MEO2=0.3700D-...\n & + 3.7000D-02 * RXRAT( 550 ) ! IEPOXOO+RO2C=0.3700D-...\n & + 7.4000D-02 * RXRAT( 551 ) ! IEPOXOO+MECO3=0.7400D-...\n & + 3.0000D-01 * RXRAT( 556 ) ! ACETYLENE+OH=0.3000D+...\n & + 1.8500D-01 * RXRAT( 572 ) ! OLE1+O3=0.1850D+00*HCOOH+...\n & + 2.4000D-02 * RXRAT( 576 ) ! OLE2+O3=0.2400D-01*HCOOH+...\n & + 1.7200D-01 * RXRAT( 583 ) ! TERP+O3=0.1720D+00*HCOOH+...\n & + 1.7200D-01 * RXRAT( 587 ) ! SESQ+O3=0.1720D+00*HCOOH+...\n LOSS( HCOOH ) = RXRAT( 219 ) ! HCOOH+OH=HO2+CO2\n\n PROD( xMGLY ) = 4.9100D-01 * RXRAT( 220 ) ! CCOOH+OH=0.4910D+00*xMGLY+...\n & + 2.5200D-01 * RXRAT( 228 ) ! RAOOH+OH=0.2520D+00*xMGLY+...\n & + 2.5000D-01 * RXRAT( 238 ) ! CRES+OH=0.2500D+00*xMGLY+...\n & + 2.6700D-01 * RXRAT( 246 ) ! AFG1+OH=0.2670D+00*xMGLY+...\n & + 2.6700D-01 * RXRAT( 249 ) ! AFG2+OH=0.2670D+00*xMGLY+...\n & + 1.5300D-01 * RXRAT( 252 ) ! AFG3+OH=0.1530D+00*xMGLY+...\n & + 9.5000D-02 * RXRAT( 253 ) ! AFG3+O3=0.9500D-01*xMGLY+...\n & + 8.4000D-02 * RXRAT( 254 ) ! MACR+OH=0.8400D-01*xMGLY+...\n & + 3.0000D-01 * RXRAT( 259 ) ! MVK+OH=0.3000D+00*xMGLY+...\n & + 1.7400D-01 * RXRAT( 263 ) ! IPRD+OH=0.1740D+00*xMGLY+...\n & + 8.0000D-03 * RXRAT( 265 ) ! IPRD+NO3=0.8000D-02*xMGLY+...\n & + 2.0000D-02 * RXRAT( 552 ) ! APIN+OH=0.2000D-01*xMGLY+...\n & + 2.0000D-03 * RXRAT( 554 ) ! APIN+NO3=0.2000D-02*xMGLY+...\n & + 1.5100D-01 * RXRAT( 559 ) ! TOLUENE+OH=0.1510D+...\n & + 3.8000D-01 * RXRAT( 560 ) ! MXYL+OH=0.3800D+00*xMGLY+...\n & + 2.3800D-01 * RXRAT( 561 ) ! OXYL+OH=0.2380D+00*xMGLY+...\n & + 1.1200D-01 * RXRAT( 562 ) ! PXYL+OH=0.1120D+00*xMGLY+...\n & + 4.0500D-01 * RXRAT( 563 ) ! TMBENZ124+OH=0.4050D+...\n & + 1.0000D-01 * RXRAT( 579 ) ! ARO1+OH=0.1000D+00*xMGLY+...\n & + 3.1200D-01 * RXRAT( 580 ) ! ARO2MN+OH=0.3120D+00*xMGLY+...\n & + 3.1200D-01 * RXRAT( 581 ) ! NAPHTHAL+OH=0.3120D+...\n & + 3.0000D-03 * RXRAT( 582 ) ! TERP+OH=0.3000D-02*xMGLY+...\n & + 3.0000D-03 * RXRAT( 583 ) ! TERP+O3=0.3000D-02*xMGLY+...\n & + 3.0000D-03 * RXRAT( 586 ) ! SESQ+OH=0.3000D-02*xMGLY+...\n & + 3.0000D-03 * RXRAT( 587 ) ! SESQ+O3=0.3000D-02*xMGLY+...\n & + 2.5200D-01 * RXRAT( 626 ) ! RAOOH+CL=0.2520D+00*xMGLY+...\n & + 1.7000D-02 * RXRAT( 630 ) ! IPRD+CL=0.1700D-01*xMGLY+...\n LOSS( xMGLY ) = RXRAT( 356 ) ! xMGLY+NO=NO+MGLY\n & + RXRAT( 357 ) ! xMGLY+HO2=HO2\n & + RXRAT( 358 ) ! xMGLY+NO3=NO3+MGLY\n & + RXRAT( 359 ) ! xMGLY+MEO2=MEO2+0.5000D+...\n & + RXRAT( 360 ) ! xMGLY+RO2C=RO2C+0.5000D+...\n & + RXRAT( 361 ) ! xMGLY+RO2XC=RO2XC+0.5000D+...\n & + RXRAT( 362 ) ! xMGLY+MECO3=MECO3+MGLY\n & + RXRAT( 363 ) ! xMGLY+RCO3=RCO3+MGLY\n & + RXRAT( 364 ) ! xMGLY+BZCO3=BZCO3+MGLY\n & + RXRAT( 365 ) ! xMGLY+MACO3=MACO3+MGLY\n\n PROD( xBACL ) = 4.5700D-01 * RXRAT( 221 ) ! RCOOH+OH=0.4570D+00*xBACL+...\n & + 1.9000D-02 * RXRAT( 252 ) ! AFG3+OH=0.1900D-01*xBACL+...\n & + 2.3000D-02 * RXRAT( 552 ) ! APIN+OH=0.2300D-01*xBACL+...\n & + 8.1000D-02 * RXRAT( 553 ) ! APIN+O3=0.8100D-01*xBACL+...\n & + 1.8500D-01 * RXRAT( 561 ) ! OXYL+OH=0.1850D+00*xBACL+...\n & + 1.1200D-01 * RXRAT( 563 ) ! TMBENZ124+OH=0.1120D+...\n & + 1.3400D-01 * RXRAT( 580 ) ! ARO2MN+OH=0.1340D+00*xBACL+...\n & + 1.3400D-01 * RXRAT( 581 ) ! NAPHTHAL+OH=0.1340D+...\n & + 9.0000D-03 * RXRAT( 582 ) ! TERP+OH=0.9000D-02*xBACL+...\n & + 3.9000D-02 * RXRAT( 583 ) ! TERP+O3=0.3900D-01*xBACL+...\n & + 9.0000D-03 * RXRAT( 586 ) ! SESQ+OH=0.9000D-02*xBACL+...\n & + 3.9000D-02 * RXRAT( 587 ) ! SESQ+O3=0.3900D-01*xBACL+...\n & + 3.0000D-03 * RXRAT( 670 ) ! APIN+CL=0.3000D-02*xBACL+...\n & + 3.0000D-03 * RXRAT( 688 ) ! TERP+CL=0.3000D-02*xBACL+...\n & + 3.0000D-03 * RXRAT( 689 ) ! SESQ+CL=0.3000D-02*xBACL+...\n LOSS( xBACL ) = RXRAT( 366 ) ! xBACL+NO=NO+BACL\n & + RXRAT( 367 ) ! xBACL+HO2=HO2\n & + RXRAT( 368 ) ! xBACL+NO3=NO3+BACL\n & + RXRAT( 369 ) ! xBACL+MEO2=MEO2+0.5000D+...\n & + RXRAT( 370 ) ! xBACL+RO2C=RO2C+0.5000D+...\n & + RXRAT( 371 ) ! xBACL+RO2XC=RO2XC+0.5000D+...\n & + RXRAT( 372 ) ! xBACL+MECO3=MECO3+BACL\n & + RXRAT( 373 ) ! xBACL+RCO3=RCO3+BACL\n & + RXRAT( 374 ) ! xBACL+BZCO3=BZCO3+BACL\n & + RXRAT( 375 ) ! xBACL+MACO3=MACO3+BACL\n\n PROD( ROOH ) = RXRAT( 457 ) ! yROOH+HO2=ROOH+HO2\n LOSS( ROOH ) = RXRAT( 224 ) ! ROOH+OH=0.7440D+00*OH+...\n & + RXRAT( 225 ) ! ROOH=RCHO+HO2+OH\n & + RXRAT( 624 ) ! ROOH+CL=HCL+0.4140D+00*OH+...\n\n PROD( xPROD2 ) = 3.4000D-02 * RXRAT( 224 ) ! ROOH+OH=0.3400D-01*xPROD2+...\n & + 8.4000D-02 * RXRAT( 226 ) ! R6OOH+OH=0.8400D-01*xPROD2+...\n & + 6.9800D-01 * RXRAT( 227 ) ! R6OOH=0.6980D+00*xPROD2+...\n & + 3.3200D-01 * RXRAT( 263 ) ! IPRD+OH=0.3320D+00*xPROD2+...\n & + 7.0000D-03 * RXRAT( 267 ) ! PRD2+OH=0.7000D-02*xPROD2+...\n & + 3.1000D-02 * RXRAT( 269 ) ! RNO3+OH=0.3100D-01*xPROD2+...\n & + 2.6100D-01 * RXRAT( 270 ) ! RNO3=0.2610D+00*xPROD2+...\n & + 1.4600D-01 * RXRAT( 568 ) ! ALK4+OH=0.1460D+00*xPROD2+...\n & + 4.0700D-01 * RXRAT( 569 ) ! ALK5+OH=0.4070D+00*xPROD2+...\n & + 1.6800D-01 * RXRAT( 571 ) ! OLE1+OH=0.1680D+00*xPROD2+...\n & + 2.3000D-02 * RXRAT( 575 ) ! OLE2+OH=0.2300D-01*xPROD2+...\n & + 3.0900D-01 * RXRAT( 579 ) ! ARO1+OH=0.3090D+00*xPROD2+...\n & + 5.7000D-02 * RXRAT( 580 ) ! ARO2MN+OH=0.5700D-...\n & + 5.7000D-02 * RXRAT( 581 ) ! NAPHTHAL+OH=0.5700D-...\n & + 4.0900D-01 * RXRAT( 582 ) ! TERP+OH=0.4090D+00*xPROD2+...\n & + 4.0900D-01 * RXRAT( 586 ) ! SESQ+OH=0.4090D+00*xPROD2+...\n & + 4.6000D-02 * RXRAT( 618 ) ! RNO3+CL=0.4600D-01*xPROD2+...\n & + 4.0000D-02 * RXRAT( 619 ) ! PRD2+CL=0.4000D-01*xPROD2+...\n & + 2.8000D-01 * RXRAT( 625 ) ! R6OOH+CL=0.2800D+00*xPROD2+...\n & + 1.3000D-01 * RXRAT( 681 ) ! ALK4+CL=0.1300D+00*xPROD2+...\n & + 3.7800D-01 * RXRAT( 682 ) ! ALK5+CL=0.3780D+00*xPROD2+...\n & + 8.4000D-01 * RXRAT( 685 ) ! ARO1+CL=0.8400D+00*xPROD2+...\n & + 3.5900D-01 * RXRAT( 686 ) ! ARO2MN+CL=0.3590D+...\n & + 3.5900D-01 * RXRAT( 687 ) ! NAPHTHAL+CL=0.3590D+...\n LOSS( xPROD2 ) = RXRAT( 336 ) ! xPROD2+NO=NO+PRD2\n & + RXRAT( 337 ) ! xPROD2+HO2=HO2\n & + RXRAT( 338 ) ! xPROD2+NO3=NO3+PRD2\n & + RXRAT( 339 ) ! xPROD2+MEO2=MEO2+0.5000D+...\n & + RXRAT( 340 ) ! xPROD2+RO2C=RO2C+0.5000D+...\n & + RXRAT( 341 ) ! xPROD2+RO2XC=RO2XC+0.5000D+...\n & + RXRAT( 342 ) ! xPROD2+MECO3=MECO3+PRD2\n & + RXRAT( 343 ) ! xPROD2+RCO3=RCO3+PRD2\n & + RXRAT( 344 ) ! xPROD2+BZCO3=BZCO3+PRD2\n & + RXRAT( 345 ) ! xPROD2+MACO3=MACO3+PRD2\n\n PROD( R6OOH ) = RXRAT( 467 ) ! yR6OOH+HO2=R6OOH+HO2\n LOSS( R6OOH ) = RXRAT( 226 ) ! R6OOH+OH=0.8400D+00*OH+...\n & + RXRAT( 227 ) ! R6OOH=OH+0.1420D+00*HO2+...\n & + RXRAT( 625 ) ! R6OOH+CL=HCL+0.1450D+00*OH+...\n\n PROD( PRD2 ) = 8.4000D-01 * RXRAT( 226 ) ! R6OOH+OH=0.8400D+00*PRD2+...\n & + 1.4200D-01 * RXRAT( 227 ) ! R6OOH=0.1420D+00*PRD2+...\n & + 7.4000D-02 * RXRAT( 228 ) ! RAOOH+OH=0.7400D-01*PRD2+...\n & + RXRAT( 251 ) ! AFG2=PRD2\n & + 6.0000D-01 * RXRAT( 262 ) ! MVK=0.6000D+00*PRD2+...\n & + 8.0000D-03 * RXRAT( 269 ) ! RNO3+OH=0.8000D-02*PRD2+...\n & + 1.9000D-01 * RXRAT( 270 ) ! RNO3=0.1900D+00*PRD2+...\n & + RXRAT( 336 ) ! xPROD2+NO=PRD2+NO\n & + RXRAT( 338 ) ! xPROD2+NO3=PRD2+NO3\n & + 5.0000D-01 * RXRAT( 339 ) ! xPROD2+MEO2=0.5000D+...\n & + 5.0000D-01 * RXRAT( 340 ) ! xPROD2+RO2C=0.5000D+...\n & + 5.0000D-01 * RXRAT( 341 ) ! xPROD2+RO2XC=0.5000D+...\n & + RXRAT( 342 ) ! xPROD2+MECO3=PRD2+MECO3\n & + RXRAT( 343 ) ! xPROD2+RCO3=PRD2+RCO3\n & + RXRAT( 344 ) ! xPROD2+BZCO3=PRD2+BZCO3\n & + RXRAT( 345 ) ! xPROD2+MACO3=PRD2+MACO3\n & + 5.0000D-01 * RXRAT( 469 ) ! yR6OOH+MEO2=0.5000D+...\n & + 5.0000D-01 * RXRAT( 470 ) ! yR6OOH+RO2C=0.5000D+...\n & + 5.0000D-01 * RXRAT( 471 ) ! yR6OOH+RO2XC=0.5000D+...\n & + 5.0000D-01 * RXRAT( 479 ) ! yISOPOOH+MEO2=0.5000D+...\n & + 5.0000D-01 * RXRAT( 480 ) ! yISOPOOH+RO2C=0.5000D+...\n & + 5.0000D-01 * RXRAT( 481 ) ! yISOPOOH+RO2XC=0.5000D+...\n & + 5.0000D-01 * RXRAT( 489 ) ! yRAOOH+MEO2=0.5000D+...\n & + 5.0000D-01 * RXRAT( 490 ) ! yRAOOH+RO2C=0.5000D+...\n & + 5.0000D-01 * RXRAT( 491 ) ! yRAOOH+RO2XC=0.5000D+...\n & + RXRAT( 498 ) ! zRNO3+NO3=PRD2+NO3+HO2\n & + 5.0000D-01 * RXRAT( 499 ) ! zRNO3+MEO2=0.5000D+00*PRD2+...\n & + 5.0000D-01 * RXRAT( 500 ) ! zRNO3+RO2C=0.5000D+00*PRD2+...\n & + 5.0000D-01 * RXRAT( 501 ) ! zRNO3+RO2XC=0.5000D+...\n & + RXRAT( 502 ) ! zRNO3+MECO3=PRD2+MECO3+HO2\n & + RXRAT( 503 ) ! zRNO3+RCO3=PRD2+RCO3+HO2\n & + RXRAT( 504 ) ! zRNO3+BZCO3=PRD2+BZCO3+HO2\n & + RXRAT( 505 ) ! zRNO3+MACO3=PRD2+MACO3+HO2\n & + 1.2500D-01 * RXRAT( 536 ) ! BUTADIENE13+O3=0.1250D+...\n & + 7.5000D-01 * RXRAT( 538 ) ! BUTADIENE13+O3P=0.7500D+...\n & + 1.0000D-01 * RXRAT( 540 ) ! ISOPRENE+O3=0.1000D+...\n & + 7.5000D-01 * RXRAT( 542 ) ! ISOPRENE+O3P=0.7500D+...\n & + 5.0000D-01 * RXRAT( 549 ) ! IEPOXOO+MEO2=0.5000D+...\n & + 5.0000D-01 * RXRAT( 550 ) ! IEPOXOO+RO2C=0.5000D+...\n & + 2.5500D-01 * RXRAT( 553 ) ! APIN+O3=0.2550D+00*PRD2+...\n & + RXRAT( 555 ) ! APIN+O3P=PRD2+TRPRXN\n & + 2.6800D-01 * RXRAT( 572 ) ! OLE1+O3=0.2680D+00*PRD2+...\n & + 1.6000D-01 * RXRAT( 574 ) ! OLE1+O3P=0.1600D+00*PRD2+...\n & + 3.7000D-02 * RXRAT( 576 ) ! OLE2+O3=0.3700D-01*PRD2+...\n & + 1.7000D-01 * RXRAT( 578 ) ! OLE2+O3P=0.1700D+00*PRD2+...\n & + 5.0200D-01 * RXRAT( 583 ) ! TERP+O3=0.5020D+00*PRD2+...\n & + 7.6300D-01 * RXRAT( 585 ) ! TERP+O3P=0.7630D+00*PRD2+...\n & + 5.0200D-01 * RXRAT( 587 ) ! SESQ+O3=0.5020D+00*PRD2+...\n & + 7.6300D-01 * RXRAT( 589 ) ! SESQ+O3P=0.7630D+00*PRD2+...\n & + 1.2000D-02 * RXRAT( 618 ) ! RNO3+CL=0.1200D-01*PRD2+...\n & + 1.4500D-01 * RXRAT( 625 ) ! R6OOH+CL=0.1450D+00*PRD2+...\n & + 7.4000D-02 * RXRAT( 626 ) ! RAOOH+CL=0.7400D-01*PRD2+...\n LOSS( PRD2 ) = 6.7100D-01 * RXRAT( 267 ) ! PRD2+OH=0.3290D+00*PRD2+...\n & + RXRAT( 268 ) ! PRD2=0.9130D+00*xHO2+...\n & + 8.8400D-01 * RXRAT( 619 ) ! PRD2+CL=0.1160D+00*PRD2+...\n\n PROD( yR6OOH ) = 8.5800D-01 * RXRAT( 227 ) ! R6OOH=0.8580D+00*yR6OOH+...\n & + 7.1300D-01 * RXRAT( 228 ) ! RAOOH+OH=0.7130D+00*yR6OOH+...\n & + 8.0000D-01 * RXRAT( 238 ) ! CRES+OH=0.8000D+00*yR6OOH+...\n & + 7.8300D-01 * RXRAT( 246 ) ! AFG1+OH=0.7830D+00*yR6OOH+...\n & + 6.5200D-01 * RXRAT( 247 ) ! AFG1+O3=0.6520D+00*yR6OOH+...\n & + 7.8300D-01 * RXRAT( 249 ) ! AFG2+OH=0.7830D+00*yR6OOH+...\n & + 6.5200D-01 * RXRAT( 250 ) ! AFG2+O3=0.6520D+00*yR6OOH+...\n & + 7.9400D-01 * RXRAT( 252 ) ! AFG3+OH=0.7940D+00*yR6OOH+...\n & + 2.6400D-01 * RXRAT( 253 ) ! AFG3+O3=0.2640D+00*yR6OOH+...\n & + 7.1100D-01 * RXRAT( 263 ) ! IPRD+OH=0.7110D+00*yR6OOH+...\n & + 4.8000D-02 * RXRAT( 264 ) ! IPRD+O3=0.4800D-01*yR6OOH+...\n & + 8.5000D-01 * RXRAT( 265 ) ! IPRD+NO3=0.8500D+00*yR6OOH+...\n & + 5.2800D-01 * RXRAT( 267 ) ! PRD2+OH=0.5280D+00*yR6OOH+...\n & + RXRAT( 268 ) ! PRD2=yR6OOH+0.4000D+...\n & + 6.3600D-01 * RXRAT( 269 ) ! RNO3+OH=0.6360D+00*yR6OOH+...\n & + 5.9100D-01 * RXRAT( 270 ) ! RNO3=0.5910D+00*yR6OOH+...\n & + 2.0000D-01 * RXRAT( 540 ) ! ISOPRENE+O3=0.2000D+...\n & + RXRAT( 541 ) ! ISOPRENE+NO3=yR6OOH+...\n & + 2.5000D-01 * RXRAT( 542 ) ! ISOPRENE+O3P=0.2500D+...\n & + RXRAT( 552 ) ! APIN+OH=yR6OOH+0.4000D-...\n & + 7.3700D-01 * RXRAT( 553 ) ! APIN+O3=0.7370D+00*yR6OOH+...\n & + RXRAT( 554 ) ! APIN+NO3=yR6OOH+0.6430D+...\n & + 7.3000D-02 * RXRAT( 559 ) ! TOLUENE+OH=0.7300D-...\n & + 4.7000D-02 * RXRAT( 560 ) ! MXYL+OH=0.4700D-01*yR6OOH+...\n & + 5.5000D-02 * RXRAT( 561 ) ! OXYL+OH=0.5500D-01*yR6OOH+...\n & + 1.0200D-01 * RXRAT( 562 ) ! PXYL+OH=0.1020D+00*yR6OOH+...\n & + 4.3000D-02 * RXRAT( 563 ) ! TMBENZ124+OH=0.4300D-...\n & + 1.7000D-02 * RXRAT( 567 ) ! ALK3+OH=0.1700D-01*yR6OOH+...\n & + RXRAT( 568 ) ! ALK4+OH=yR6OOH+0.1000D-...\n & + RXRAT( 569 ) ! ALK5+OH=yR6OOH+0.1605D+...\n & + 8.3100D-01 * RXRAT( 571 ) ! OLE1+OH=0.8310D+00*yR6OOH+...\n & + 5.2000D-02 * RXRAT( 572 ) ! OLE1+O3=0.5200D-01*yR6OOH+...\n & + 8.3100D-01 * RXRAT( 573 ) ! OLE1+NO3=0.8310D+00*yR6OOH+...\n & + 6.8100D-01 * RXRAT( 575 ) ! OLE2+OH=0.6810D+00*yR6OOH+...\n & + 1.3600D-01 * RXRAT( 576 ) ! OLE2+O3=0.1360D+00*yR6OOH+...\n & + 6.8100D-01 * RXRAT( 577 ) ! OLE2+NO3=0.6810D+00*yR6OOH+...\n & + 3.6900D-01 * RXRAT( 579 ) ! ARO1+OH=0.3690D+00*yR6OOH+...\n & + 1.0100D-01 * RXRAT( 580 ) ! ARO2MN+OH=0.1010D+...\n & + 1.0100D-01 * RXRAT( 581 ) ! NAPHTHAL+OH=0.1010D+...\n & + RXRAT( 582 ) ! TERP+OH=yR6OOH+0.6400D-...\n & + 4.2800D-01 * RXRAT( 583 ) ! TERP+O3=0.4280D+00*yR6OOH+...\n & + RXRAT( 584 ) ! TERP+NO3=yR6OOH+0.2870D+...\n & + RXRAT( 586 ) ! SESQ+OH=yR6OOH+0.6400D-...\n & + 4.2800D-01 * RXRAT( 587 ) ! SESQ+O3=0.4280D+00*yR6OOH+...\n & + RXRAT( 588 ) ! SESQ+NO3=yR6OOH+0.2870D+...\n & + 9.0800D-01 * RXRAT( 618 ) ! RNO3+CL=0.9080D+00*yR6OOH+...\n & + 6.8600D-01 * RXRAT( 619 ) ! PRD2+CL=0.6860D+00*yR6OOH+...\n & + RXRAT( 622 ) ! CRES+CL=yR6OOH+xHO2+xBALD+HCL\n & + 8.5500D-01 * RXRAT( 625 ) ! R6OOH+CL=0.8550D+00*yR6OOH+...\n & + 7.1300D-01 * RXRAT( 626 ) ! RAOOH+CL=0.7130D+00*yR6OOH+...\n & + 7.6200D-01 * RXRAT( 630 ) ! IPRD+CL=0.7620D+00*yR6OOH+...\n & + RXRAT( 669 ) ! ISOPRENE+CL=yR6OOH+0.7380D+...\n & + RXRAT( 670 ) ! APIN+CL=yR6OOH+0.2520D+...\n & + 1.7000D-02 * RXRAT( 680 ) ! ALK3+CL=0.1700D-01*yR6OOH+...\n & + RXRAT( 681 ) ! ALK4+CL=yR6OOH+0.8270D+...\n & + RXRAT( 682 ) ! ALK5+CL=yR6OOH+0.6470D+...\n & + 8.3100D-01 * RXRAT( 683 ) ! OLE1+CL=0.8310D+00*yR6OOH+...\n & + 6.8100D-01 * RXRAT( 684 ) ! OLE2+CL=0.6810D+00*yR6OOH+...\n & + RXRAT( 688 ) ! TERP+CL=yR6OOH+0.2520D+...\n & + RXRAT( 689 ) ! SESQ+CL=yR6OOH+0.6800D-...\n LOSS( yR6OOH ) = RXRAT( 466 ) ! yR6OOH+NO=NO\n & + RXRAT( 467 ) ! yR6OOH+HO2=HO2+R6OOH\n & + RXRAT( 468 ) ! yR6OOH+NO3=NO3\n & + RXRAT( 469 ) ! yR6OOH+MEO2=MEO2+0.5000D+...\n & + RXRAT( 470 ) ! yR6OOH+RO2C=RO2C+0.5000D+...\n & + RXRAT( 471 ) ! yR6OOH+RO2XC=RO2XC+0.5000D+...\n & + RXRAT( 472 ) ! yR6OOH+MECO3=MECO3\n & + RXRAT( 473 ) ! yR6OOH+RCO3=RCO3\n & + RXRAT( 474 ) ! yR6OOH+BZCO3=BZCO3\n & + RXRAT( 475 ) ! yR6OOH+MACO3=MACO3\n\n PROD( RAOOH ) = RXRAT( 487 ) ! yRAOOH+HO2=RAOOH+HO2\n LOSS( RAOOH ) = RXRAT( 228 ) ! RAOOH+OH=0.1390D+00*OH+...\n & + RXRAT( 229 ) ! RAOOH=OH+HO2+0.5000D+...\n & + RXRAT( 626 ) ! RAOOH+CL=0.4040D+00*HCL+...\n\n PROD( MGLY ) = 1.4700D-01 * RXRAT( 228 ) ! RAOOH+OH=0.1470D+00*MGLY+...\n & + 5.0000D-01 * RXRAT( 229 ) ! RAOOH=0.5000D+00*MGLY+HO2+...\n & + 5.6800D-01 * RXRAT( 247 ) ! AFG1+O3=0.5680D+00*MGLY+...\n & + 3.0500D-01 * RXRAT( 248 ) ! AFG1=0.3050D+00*MGLY+...\n & + 5.6800D-01 * RXRAT( 250 ) ! AFG2+O3=0.5680D+00*MGLY+...\n & + 1.8400D-01 * RXRAT( 253 ) ! AFG3+O3=0.1840D+00*MGLY+...\n & + 9.0000D-01 * RXRAT( 255 ) ! MACR+O3=0.9000D+00*MGLY+...\n & + 9.5000D-01 * RXRAT( 260 ) ! MVK+O3=0.9500D+00*MGLY+...\n & + 7.4200D-01 * RXRAT( 264 ) ! IPRD+O3=0.7420D+00*MGLY+...\n & + RXRAT( 356 ) ! xMGLY+NO=MGLY+NO\n & + RXRAT( 358 ) ! xMGLY+NO3=MGLY+NO3\n & + 5.0000D-01 * RXRAT( 359 ) ! xMGLY+MEO2=0.5000D+00*MGLY+...\n & + 5.0000D-01 * RXRAT( 360 ) ! xMGLY+RO2C=0.5000D+00*MGLY+...\n & + 5.0000D-01 * RXRAT( 361 ) ! xMGLY+RO2XC=0.5000D+...\n & + RXRAT( 362 ) ! xMGLY+MECO3=MGLY+MECO3\n & + RXRAT( 363 ) ! xMGLY+RCO3=MGLY+RCO3\n & + RXRAT( 364 ) ! xMGLY+BZCO3=MGLY+BZCO3\n & + RXRAT( 365 ) ! xMGLY+MACO3=MGLY+MACO3\n & + 2.7500D-01 * RXRAT( 547 ) ! IEPOXOO+HO2=0.2750D+...\n & + 2.7500D-01 * RXRAT( 548 ) ! IEPOXOO+NO=0.2750D+00*MGLY+...\n & + 1.3800D-01 * RXRAT( 549 ) ! IEPOXOO+MEO2=0.1380D+...\n & + 1.3800D-01 * RXRAT( 550 ) ! IEPOXOO+RO2C=0.1380D+...\n & + 2.7500D-01 * RXRAT( 551 ) ! IEPOXOO+MECO3=0.2750D+...\n & + 1.4700D-01 * RXRAT( 626 ) ! RAOOH+CL=0.1470D+00*MGLY+...\n LOSS( MGLY ) = RXRAT( 234 ) ! MGLY=HO2+CO+MECO3\n & + RXRAT( 235 ) ! MGLY+OH=CO+MECO3\n & + RXRAT( 236 ) ! MGLY+NO3=HNO3+CO+MECO3\n & + RXRAT( 621 ) ! MGLY+CL=HCL+CO+MECO3\n\n PROD( IPRD ) = 1.3900D-01 * RXRAT( 228 ) ! RAOOH+OH=0.1390D+00*IPRD+...\n & + 3.0000D-03 * RXRAT( 253 ) ! AFG3+O3=0.3000D-02*IPRD+...\n & + RXRAT( 436 ) ! xIPRD+NO=IPRD+NO\n & + RXRAT( 438 ) ! xIPRD+NO3=IPRD+NO3\n & + 5.0000D-01 * RXRAT( 439 ) ! xIPRD+MEO2=0.5000D+00*IPRD+...\n & + 5.0000D-01 * RXRAT( 440 ) ! xIPRD+RO2C=0.5000D+00*IPRD+...\n & + 5.0000D-01 * RXRAT( 441 ) ! xIPRD+RO2XC=0.5000D+...\n & + RXRAT( 442 ) ! xIPRD+MECO3=IPRD+MECO3\n & + RXRAT( 443 ) ! xIPRD+RCO3=IPRD+RCO3\n & + RXRAT( 444 ) ! xIPRD+BZCO3=IPRD+BZCO3\n & + RXRAT( 445 ) ! xIPRD+MACO3=IPRD+MACO3\n & + 1.5000D-01 * RXRAT( 540 ) ! ISOPRENE+O3=0.1500D+...\n & + 1.3900D-01 * RXRAT( 626 ) ! RAOOH+CL=0.1390D+00*IPRD+...\n LOSS( IPRD ) = RXRAT( 263 ) ! IPRD+OH=0.2890D+00*MACO3+...\n & + RXRAT( 264 ) ! IPRD+O3=0.2850D+00*OH+...\n & + RXRAT( 265 ) ! IPRD+NO3=0.1500D+00*MACO3+...\n & + RXRAT( 266 ) ! IPRD=0.1233D+01*HO2+...\n & + RXRAT( 630 ) ! IPRD+CL=0.4010D+00*HCL+...\n\n PROD( xGLY ) = 2.6000D-02 * RXRAT( 228 ) ! RAOOH+OH=0.2600D-01*xGLY+...\n & + 1.0700D-01 * RXRAT( 246 ) ! AFG1+OH=0.1070D+00*xGLY+...\n & + 1.0700D-01 * RXRAT( 249 ) ! AFG2+OH=0.1070D+00*xGLY+...\n & + 2.7400D-01 * RXRAT( 252 ) ! AFG3+OH=0.2740D+00*xGLY+...\n & + 1.5000D-01 * RXRAT( 263 ) ! IPRD+OH=0.1500D+00*xGLY+...\n & + 8.3000D-02 * RXRAT( 274 ) ! ACROLEIN+OH=0.8300D-...\n & + 1.2000D-02 * RXRAT( 530 ) ! ETHENE+O3P=0.1200D-01*xGLY+...\n & + 2.0000D-03 * RXRAT( 553 ) ! APIN+O3=0.2000D-02*xGLY+...\n & + 2.9000D-01 * RXRAT( 558 ) ! BENZENE+OH=0.2900D+00*xGLY+...\n & + 2.3800D-01 * RXRAT( 559 ) ! TOLUENE+OH=0.2380D+00*xGLY+...\n & + 1.0000D-01 * RXRAT( 560 ) ! MXYL+OH=0.1000D+00*xGLY+...\n & + 8.4000D-02 * RXRAT( 561 ) ! OXYL+OH=0.8400D-01*xGLY+...\n & + 2.8600D-01 * RXRAT( 562 ) ! PXYL+OH=0.2860D+00*xGLY+...\n & + 7.4000D-02 * RXRAT( 563 ) ! TMBENZ124+OH=0.7400D-...\n & + 1.5800D-01 * RXRAT( 579 ) ! ARO1+OH=0.1580D+00*xGLY+...\n & + 8.8000D-02 * RXRAT( 580 ) ! ARO2MN+OH=0.8800D-01*xGLY+...\n & + 8.8000D-02 * RXRAT( 581 ) ! NAPHTHAL+OH=0.8800D-...\n & + 2.6000D-02 * RXRAT( 626 ) ! RAOOH+CL=0.2600D-01*xGLY+...\n & + 2.7400D-01 * RXRAT( 627 ) ! ACROLEIN+CL=0.2740D+...\n & + 7.0000D-03 * RXRAT( 670 ) ! APIN+CL=0.7000D-02*xGLY+...\n & + 7.0000D-03 * RXRAT( 688 ) ! TERP+CL=0.7000D-02*xGLY+...\n & + 7.0000D-03 * RXRAT( 689 ) ! SESQ+CL=0.7000D-02*xGLY+...\n LOSS( xGLY ) = RXRAT( 346 ) ! xGLY+NO=NO+GLY\n & + RXRAT( 347 ) ! xGLY+HO2=HO2\n & + RXRAT( 348 ) ! xGLY+NO3=NO3+GLY\n & + RXRAT( 349 ) ! xGLY+MEO2=MEO2+0.5000D+00*GLY\n & + RXRAT( 350 ) ! xGLY+RO2C=RO2C+0.5000D+00*GLY\n & + RXRAT( 351 ) ! xGLY+RO2XC=RO2XC+0.5000D+...\n & + RXRAT( 352 ) ! xGLY+MECO3=MECO3+GLY\n & + RXRAT( 353 ) ! xGLY+RCO3=RCO3+GLY\n & + RXRAT( 354 ) ! xGLY+BZCO3=BZCO3+GLY\n & + RXRAT( 355 ) ! xGLY+MACO3=MACO3+GLY\n\n PROD( xMEK ) = 3.0000D-02 * RXRAT( 228 ) ! RAOOH+OH=0.3000D-01*xMEK+...\n & + 1.2900D-01 * RXRAT( 246 ) ! AFG1+OH=0.1290D+00*xMEK+...\n & + 1.2900D-01 * RXRAT( 249 ) ! AFG2+OH=0.1290D+00*xMEK+...\n & + 4.1600D-01 * RXRAT( 254 ) ! MACR+OH=0.4160D+00*xMEK+...\n & + 1.5000D-01 * RXRAT( 263 ) ! IPRD+OH=0.1500D+00*xMEK+...\n & + 1.1500D-01 * RXRAT( 267 ) ! PRD2+OH=0.1150D+00*xMEK+...\n & + 1.7000D-01 * RXRAT( 269 ) ! RNO3+OH=0.1700D+00*xMEK+...\n & + 8.3000D-02 * RXRAT( 270 ) ! RNO3=0.8300D-01*xMEK+...\n & + 3.3200D-01 * RXRAT( 567 ) ! ALK3+OH=0.3320D+00*xMEK+...\n & + 1.0600D-01 * RXRAT( 568 ) ! ALK4+OH=0.1060D+00*xMEK+...\n & + 8.6000D-02 * RXRAT( 569 ) ! ALK5+OH=0.8600D-01*xMEK+...\n & + 8.0000D-02 * RXRAT( 575 ) ! OLE2+OH=0.8000D-01*xMEK+...\n & + 1.0000D-03 * RXRAT( 576 ) ! OLE2+O3=0.1000D-02*xMEK+...\n & + 2.0000D-03 * RXRAT( 577 ) ! OLE2+NO3=0.2000D-02*xMEK+...\n & + 7.0000D-03 * RXRAT( 582 ) ! TERP+OH=0.7000D-02*xMEK+...\n & + 7.0000D-03 * RXRAT( 586 ) ! SESQ+OH=0.7000D-02*xMEK+...\n & + 4.1000D-02 * RXRAT( 618 ) ! RNO3+CL=0.4100D-01*xMEK+...\n & + 5.1000D-02 * RXRAT( 619 ) ! PRD2+CL=0.5100D-01*xMEK+...\n & + 2.8500D-01 * RXRAT( 624 ) ! ROOH+CL=0.2850D+00*xMEK+...\n & + 3.0000D-02 * RXRAT( 626 ) ! RAOOH+CL=0.3000D-01*xMEK+...\n & + 2.5300D-01 * RXRAT( 680 ) ! ALK3+CL=0.2530D+00*xMEK+...\n & + 7.6000D-02 * RXRAT( 681 ) ! ALK4+CL=0.7600D-01*xMEK+...\n & + 4.1000D-02 * RXRAT( 682 ) ! ALK5+CL=0.4100D-01*xMEK+...\n & + 4.2000D-02 * RXRAT( 684 ) ! OLE2+CL=0.4200D-01*xMEK+...\n LOSS( xMEK ) = RXRAT( 326 ) ! xMEK+NO=NO+MEK\n & + RXRAT( 327 ) ! xMEK+HO2=HO2\n & + RXRAT( 328 ) ! xMEK+NO3=NO3+MEK\n & + RXRAT( 329 ) ! xMEK+MEO2=MEO2+0.5000D+00*MEK\n & + RXRAT( 330 ) ! xMEK+RO2C=RO2C+0.5000D+00*MEK\n & + RXRAT( 331 ) ! xMEK+RO2XC=RO2XC+0.5000D+...\n & + RXRAT( 332 ) ! xMEK+MECO3=MECO3+MEK\n & + RXRAT( 333 ) ! xMEK+RCO3=RCO3+MEK\n & + RXRAT( 334 ) ! xMEK+BZCO3=BZCO3+MEK\n & + RXRAT( 335 ) ! xMEK+MACO3=MACO3+MEK\n\n PROD( xAFG1 ) = 7.3000D-02 * RXRAT( 228 ) ! RAOOH+OH=0.7300D-01*xAFG1+...\n & + 1.9500D-01 * RXRAT( 252 ) ! AFG3+OH=0.1950D+00*xAFG1+...\n & + 1.0000D-03 * RXRAT( 538 ) ! BUTADIENE13+O3P=0.1000D-...\n & + 2.9000D-02 * RXRAT( 558 ) ! BENZENE+OH=0.2900D-...\n & + 1.9500D-01 * RXRAT( 559 ) ! TOLUENE+OH=0.1950D+...\n & + 3.3600D-01 * RXRAT( 560 ) ! MXYL+OH=0.3360D+00*xAFG1+...\n & + 2.5300D-01 * RXRAT( 561 ) ! OXYL+OH=0.2530D+00*xAFG1+...\n & + 4.5000D-02 * RXRAT( 562 ) ! PXYL+OH=0.4500D-01*xAFG1+...\n & + 8.8000D-02 * RXRAT( 563 ) ! TMBENZ124+OH=0.8800D-...\n & + 7.2000D-02 * RXRAT( 579 ) ! ARO1+OH=0.7200D-01*xAFG1+...\n & + 2.2100D-01 * RXRAT( 580 ) ! ARO2MN+OH=0.2210D+00*xAFG1+...\n & + 2.2100D-01 * RXRAT( 581 ) ! NAPHTHAL+OH=0.2210D+...\n & + 7.3000D-02 * RXRAT( 626 ) ! RAOOH+CL=0.7300D-01*xAFG1+...\n & + 9.0000D-03 * RXRAT( 630 ) ! IPRD+CL=0.9000D-02*xAFG1+...\n & + 6.0000D-03 * RXRAT( 670 ) ! APIN+CL=0.6000D-02*xAFG1+...\n & + 6.0000D-03 * RXRAT( 688 ) ! TERP+CL=0.6000D-02*xAFG1+...\n & + 6.0000D-03 * RXRAT( 689 ) ! SESQ+CL=0.6000D-02*xAFG1+...\n LOSS( xAFG1 ) = RXRAT( 386 ) ! xAFG1+NO=NO+AFG1\n & + RXRAT( 387 ) ! xAFG1+HO2=HO2\n & + RXRAT( 388 ) ! xAFG1+NO3=NO3+AFG1\n & + RXRAT( 389 ) ! xAFG1+MEO2=MEO2+0.5000D+...\n & + RXRAT( 390 ) ! xAFG1+RO2C=RO2C+0.5000D+...\n & + RXRAT( 391 ) ! xAFG1+RO2XC=RO2XC+0.5000D+...\n & + RXRAT( 392 ) ! xAFG1+MECO3=MECO3+AFG1\n & + RXRAT( 393 ) ! xAFG1+RCO3=RCO3+AFG1\n & + RXRAT( 394 ) ! xAFG1+BZCO3=BZCO3+AFG1\n & + RXRAT( 395 ) ! xAFG1+MACO3=MACO3+AFG1\n\n PROD( xAFG2 ) = 7.3000D-02 * RXRAT( 228 ) ! RAOOH+OH=0.7300D-01*xAFG2+...\n & + 1.9500D-01 * RXRAT( 252 ) ! AFG3+OH=0.1950D+00*xAFG2+...\n & + 1.0000D-03 * RXRAT( 538 ) ! BUTADIENE13+O3P=0.1000D-...\n & + 2.6100D-01 * RXRAT( 558 ) ! BENZENE+OH=0.2610D+...\n & + 1.9500D-01 * RXRAT( 559 ) ! TOLUENE+OH=0.1950D+...\n & + 1.4400D-01 * RXRAT( 560 ) ! MXYL+OH=0.1440D+00*xAFG2+...\n & + 2.5300D-01 * RXRAT( 561 ) ! OXYL+OH=0.2530D+00*xAFG2+...\n & + 6.7000D-02 * RXRAT( 562 ) ! PXYL+OH=0.6700D-01*xAFG2+...\n & + 3.5200D-01 * RXRAT( 563 ) ! TMBENZ124+OH=0.3520D+...\n & + 1.8500D-01 * RXRAT( 579 ) ! ARO1+OH=0.1850D+00*xAFG2+...\n & + 2.4700D-01 * RXRAT( 580 ) ! ARO2MN+OH=0.2470D+00*xAFG2+...\n & + 2.4700D-01 * RXRAT( 581 ) ! NAPHTHAL+OH=0.2470D+...\n & + 7.3000D-02 * RXRAT( 626 ) ! RAOOH+CL=0.7300D-01*xAFG2+...\n & + 9.0000D-03 * RXRAT( 630 ) ! IPRD+CL=0.9000D-02*xAFG2+...\n & + 6.0000D-03 * RXRAT( 670 ) ! APIN+CL=0.6000D-02*xAFG2+...\n & + 6.0000D-03 * RXRAT( 688 ) ! TERP+CL=0.6000D-02*xAFG2+...\n & + 6.0000D-03 * RXRAT( 689 ) ! SESQ+CL=0.6000D-02*xAFG2+...\n LOSS( xAFG2 ) = RXRAT( 396 ) ! xAFG2+NO=NO+AFG2\n & + RXRAT( 397 ) ! xAFG2+HO2=HO2\n & + RXRAT( 398 ) ! xAFG2+NO3=NO3+AFG2\n & + RXRAT( 399 ) ! xAFG2+MEO2=MEO2+0.5000D+...\n & + RXRAT( 400 ) ! xAFG2+RO2C=RO2C+0.5000D+...\n & + RXRAT( 401 ) ! xAFG2+RO2XC=RO2XC+0.5000D+...\n & + RXRAT( 402 ) ! xAFG2+MECO3=MECO3+AFG2\n & + RXRAT( 403 ) ! xAFG2+RCO3=RCO3+AFG2\n & + RXRAT( 404 ) ! xAFG2+BZCO3=BZCO3+AFG2\n & + RXRAT( 405 ) ! xAFG2+MACO3=MACO3+AFG2\n\n PROD( GLY ) = 5.0000D-01 * RXRAT( 229 ) ! RAOOH=0.5000D+00*GLY+HO2+...\n & + 4.3200D-01 * RXRAT( 247 ) ! AFG1+O3=0.4320D+00*GLY+...\n & + 1.9500D-01 * RXRAT( 248 ) ! AFG1=0.1950D+00*GLY+...\n & + 4.3200D-01 * RXRAT( 250 ) ! AFG2+O3=0.4320D+00*GLY+...\n & + 3.6600D-01 * RXRAT( 253 ) ! AFG3+O3=0.3660D+00*GLY+...\n & + 2.3000D-02 * RXRAT( 264 ) ! IPRD+O3=0.2300D-01*GLY+...\n & + 5.0000D-01 * RXRAT( 275 ) ! ACROLEIN+O3=0.5000D+00*GLY+...\n & + 5.6000D-01 * RXRAT( 285 ) ! HCOCO3+HO2=0.5600D+00*GLY+...\n & + RXRAT( 346 ) ! xGLY+NO=GLY+NO\n & + RXRAT( 348 ) ! xGLY+NO3=GLY+NO3\n & + 5.0000D-01 * RXRAT( 349 ) ! xGLY+MEO2=0.5000D+00*GLY+MEO2\n & + 5.0000D-01 * RXRAT( 350 ) ! xGLY+RO2C=0.5000D+00*GLY+RO2C\n & + 5.0000D-01 * RXRAT( 351 ) ! xGLY+RO2XC=0.5000D+00*GLY+...\n & + RXRAT( 352 ) ! xGLY+MECO3=GLY+MECO3\n & + RXRAT( 353 ) ! xGLY+RCO3=GLY+RCO3\n & + RXRAT( 354 ) ! xGLY+BZCO3=GLY+BZCO3\n & + RXRAT( 355 ) ! xGLY+MACO3=GLY+MACO3\n & + 2.7500D-01 * RXRAT( 547 ) ! IEPOXOO+HO2=0.2750D+00*GLY+...\n & + 2.7500D-01 * RXRAT( 548 ) ! IEPOXOO+NO=0.2750D+00*GLY+...\n & + 1.3800D-01 * RXRAT( 549 ) ! IEPOXOO+MEO2=0.1380D+...\n & + 1.3800D-01 * RXRAT( 550 ) ! IEPOXOO+RO2C=0.1380D+...\n & + 2.7500D-01 * RXRAT( 551 ) ! IEPOXOO+MECO3=0.2750D+...\n & + 7.0000D-01 * RXRAT( 556 ) ! ACETYLENE+OH=0.7000D+...\n LOSS( GLY ) = RXRAT( 230 ) ! GLY=0.2000D+01*CO+0.2000D+...\n & + RXRAT( 231 ) ! GLY=HCHO+CO\n & + RXRAT( 232 ) ! GLY+OH=0.7000D+00*HO2+...\n & + RXRAT( 233 ) ! GLY+NO3=HNO3+0.7000D+...\n & + RXRAT( 620 ) ! GLY+CL=HCL+0.6300D+00*HO2+...\n\n PROD( AFG1 ) = 5.0000D-01 * RXRAT( 229 ) ! RAOOH=0.5000D+00*AFG1+HO2+...\n & + 3.5000D-01 * RXRAT( 253 ) ! AFG3+O3=0.3500D+00*AFG1+...\n & + RXRAT( 386 ) ! xAFG1+NO=AFG1+NO\n & + RXRAT( 388 ) ! xAFG1+NO3=AFG1+NO3\n & + 5.0000D-01 * RXRAT( 389 ) ! xAFG1+MEO2=0.5000D+00*AFG1+...\n & + 5.0000D-01 * RXRAT( 390 ) ! xAFG1+RO2C=0.5000D+00*AFG1+...\n & + 5.0000D-01 * RXRAT( 391 ) ! xAFG1+RO2XC=0.5000D+...\n & + RXRAT( 392 ) ! xAFG1+MECO3=AFG1+MECO3\n & + RXRAT( 393 ) ! xAFG1+RCO3=AFG1+RCO3\n & + RXRAT( 394 ) ! xAFG1+BZCO3=AFG1+BZCO3\n & + RXRAT( 395 ) ! xAFG1+MACO3=AFG1+MACO3\n & + 4.2000D-02 * RXRAT( 630 ) ! IPRD+CL=0.4200D-01*AFG1+...\n LOSS( AFG1 ) = RXRAT( 246 ) ! AFG1+OH=0.2170D+00*MACO3+...\n & + RXRAT( 247 ) ! AFG1+O3=0.8260D+00*OH+...\n & + RXRAT( 248 ) ! AFG1=0.1023D+01*HO2+...\n\n PROD( AFG2 ) = 5.0000D-01 * RXRAT( 229 ) ! RAOOH=0.5000D+00*AFG2+HO2+...\n & + 3.5000D-01 * RXRAT( 253 ) ! AFG3+O3=0.3500D+00*AFG2+...\n & + RXRAT( 396 ) ! xAFG2+NO=AFG2+NO\n & + RXRAT( 398 ) ! xAFG2+NO3=AFG2+NO3\n & + 5.0000D-01 * RXRAT( 399 ) ! xAFG2+MEO2=0.5000D+00*AFG2+...\n & + 5.0000D-01 * RXRAT( 400 ) ! xAFG2+RO2C=0.5000D+00*AFG2+...\n & + 5.0000D-01 * RXRAT( 401 ) ! xAFG2+RO2XC=0.5000D+...\n & + RXRAT( 402 ) ! xAFG2+MECO3=AFG2+MECO3\n & + RXRAT( 403 ) ! xAFG2+RCO3=AFG2+RCO3\n & + RXRAT( 404 ) ! xAFG2+BZCO3=AFG2+BZCO3\n & + RXRAT( 405 ) ! xAFG2+MACO3=AFG2+MACO3\n & + 4.2000D-02 * RXRAT( 630 ) ! IPRD+CL=0.4200D-01*AFG2+...\n LOSS( AFG2 ) = RXRAT( 249 ) ! AFG2+OH=0.2170D+00*MACO3+...\n & + RXRAT( 250 ) ! AFG2+O3=0.8260D+00*OH+...\n & + RXRAT( 251 ) ! AFG2=PRD2\n\n PROD( HCOCO3 ) = 3.0000D-01 * RXRAT( 232 ) ! GLY+OH=0.3000D+00*HCOCO3+...\n & + 3.0000D-01 * RXRAT( 233 ) ! GLY+NO3=0.3000D+00*HCOCO3+...\n LOSS( HCOCO3 ) = RXRAT( 283 ) ! HCOCO3+NO=HO2+CO+CO2+NO2\n & + RXRAT( 284 ) ! HCOCO3+NO2=HO2+CO+CO2+NO3\n & + RXRAT( 285 ) ! HCOCO3+HO2=0.4400D+00*OH+...\n\n PROD( BACL ) = RXRAT( 366 ) ! xBACL+NO=BACL+NO\n & + RXRAT( 368 ) ! xBACL+NO3=BACL+NO3\n & + 5.0000D-01 * RXRAT( 369 ) ! xBACL+MEO2=0.5000D+00*BACL+...\n & + 5.0000D-01 * RXRAT( 370 ) ! xBACL+RO2C=0.5000D+00*BACL+...\n & + 5.0000D-01 * RXRAT( 371 ) ! xBACL+RO2XC=0.5000D+...\n & + RXRAT( 372 ) ! xBACL+MECO3=BACL+MECO3\n & + RXRAT( 373 ) ! xBACL+RCO3=BACL+RCO3\n & + RXRAT( 374 ) ! xBACL+BZCO3=BACL+BZCO3\n & + RXRAT( 375 ) ! xBACL+MACO3=BACL+MACO3\n LOSS( BACL ) = RXRAT( 237 ) ! BACL=0.2000D+01*MECO3\n\n PROD( BALD ) = RXRAT( 376 ) ! xBALD+NO=BALD+NO\n & + RXRAT( 378 ) ! xBALD+NO3=BALD+NO3\n & + 5.0000D-01 * RXRAT( 379 ) ! xBALD+MEO2=0.5000D+00*BALD+...\n & + 5.0000D-01 * RXRAT( 380 ) ! xBALD+RO2C=0.5000D+00*BALD+...\n & + 5.0000D-01 * RXRAT( 381 ) ! xBALD+RO2XC=0.5000D+...\n & + RXRAT( 382 ) ! xBALD+MECO3=BALD+MECO3\n & + RXRAT( 383 ) ! xBALD+RCO3=BALD+RCO3\n & + RXRAT( 384 ) ! xBALD+BZCO3=BALD+BZCO3\n & + RXRAT( 385 ) ! xBALD+MACO3=BALD+MACO3\n LOSS( BALD ) = RXRAT( 243 ) ! BALD+OH=BZCO3\n & + RXRAT( 244 ) ! BALD=\n & + RXRAT( 245 ) ! BALD+NO3=HNO3+BZCO3\n & + RXRAT( 623 ) ! BALD+CL=HCL+BZCO3\n\n PROD( AFG3 ) = RXRAT( 406 ) ! xAFG3+NO=AFG3+NO\n & + RXRAT( 408 ) ! xAFG3+NO3=AFG3+NO3\n & + 5.0000D-01 * RXRAT( 409 ) ! xAFG3+MEO2=0.5000D+00*AFG3+...\n & + 5.0000D-01 * RXRAT( 410 ) ! xAFG3+RO2C=0.5000D+00*AFG3+...\n & + 5.0000D-01 * RXRAT( 411 ) ! xAFG3+RO2XC=0.5000D+...\n & + RXRAT( 412 ) ! xAFG3+MECO3=AFG3+MECO3\n & + RXRAT( 413 ) ! xAFG3+RCO3=AFG3+RCO3\n & + RXRAT( 414 ) ! xAFG3+BZCO3=AFG3+BZCO3\n & + RXRAT( 415 ) ! xAFG3+MACO3=AFG3+MACO3\n & + 1.1600D-01 * RXRAT( 558 ) ! BENZENE+OH=0.1160D+00*AFG3+...\n & + 3.1200D-01 * RXRAT( 559 ) ! TOLUENE+OH=0.3120D+00*AFG3+...\n & + 2.3900D-01 * RXRAT( 560 ) ! MXYL+OH=0.2390D+00*AFG3+...\n & + 1.9800D-01 * RXRAT( 561 ) ! OXYL+OH=0.1980D+00*AFG3+...\n & + 2.7800D-01 * RXRAT( 562 ) ! PXYL+OH=0.2780D+00*AFG3+...\n & + 2.3000D-01 * RXRAT( 563 ) ! TMBENZ124+OH=0.2300D+...\n & + 2.0200D-01 * RXRAT( 579 ) ! ARO1+OH=0.2020D+00*AFG3+...\n & + 1.7800D-01 * RXRAT( 580 ) ! ARO2MN+OH=0.1780D+00*AFG3+...\n & + 1.7800D-01 * RXRAT( 581 ) ! NAPHTHAL+OH=0.1780D+...\n LOSS( AFG3 ) = RXRAT( 252 ) ! AFG3+OH=0.2060D+00*MACO3+...\n & + 8.6100D-01 * RXRAT( 253 ) ! AFG3+O3=0.1390D+00*AFG3+...\n\n PROD( xIPRD ) = 2.3100D-01 * RXRAT( 252 ) ! AFG3+OH=0.2310D+00*xIPRD+...\n & + 4.7100D-01 * RXRAT( 535 ) ! BUTADIENE13+OH=0.4710D+...\n & + 1.2000D-01 * RXRAT( 537 ) ! BUTADIENE13+NO3=0.1200D+...\n & + 3.5700D-01 * RXRAT( 539 ) ! ISOPRENE+OH=0.3570D+...\n & + 9.3600D-01 * RXRAT( 541 ) ! ISOPRENE+NO3=0.9360D+...\n & + 9.0000D-03 * RXRAT( 571 ) ! OLE1+OH=0.9000D-02*xIPRD+...\n & + 1.2000D-02 * RXRAT( 575 ) ! OLE2+OH=0.1200D-01*xIPRD+...\n & + 2.0000D-03 * RXRAT( 582 ) ! TERP+OH=0.2000D-02*xIPRD+...\n & + 1.0000D-03 * RXRAT( 583 ) ! TERP+O3=0.1000D-02*xIPRD+...\n & + 4.0000D-03 * RXRAT( 584 ) ! TERP+NO3=0.4000D-02*xIPRD+...\n & + 2.0000D-03 * RXRAT( 586 ) ! SESQ+OH=0.2000D-02*xIPRD+...\n & + 1.0000D-03 * RXRAT( 587 ) ! SESQ+O3=0.1000D-02*xIPRD+...\n & + 4.0000D-03 * RXRAT( 588 ) ! SESQ+NO3=0.4000D-02*xIPRD+...\n & + 8.2000D-02 * RXRAT( 628 ) ! MACR+CL=0.8200D-01*xIPRD+...\n & + 1.1500D-01 * RXRAT( 630 ) ! IPRD+CL=0.1150D+00*xIPRD+...\n & + 4.7300D-01 * RXRAT( 668 ) ! BUTADIENE13+CL=0.4730D+...\n & + 6.7100D-01 * RXRAT( 669 ) ! ISOPRENE+CL=0.6710D+...\n & + 1.5800D-01 * RXRAT( 670 ) ! APIN+CL=0.1580D+00*xIPRD+...\n & + 3.8000D-02 * RXRAT( 683 ) ! OLE1+CL=0.3800D-01*xIPRD+...\n & + 1.6100D-01 * RXRAT( 684 ) ! OLE2+CL=0.1610D+00*xIPRD+...\n & + 1.5800D-01 * RXRAT( 688 ) ! TERP+CL=0.1580D+00*xIPRD+...\n & + 1.5800D-01 * RXRAT( 689 ) ! SESQ+CL=0.1580D+00*xIPRD+...\n LOSS( xIPRD ) = RXRAT( 436 ) ! xIPRD+NO=NO+IPRD\n & + RXRAT( 437 ) ! xIPRD+HO2=HO2\n & + RXRAT( 438 ) ! xIPRD+NO3=NO3+IPRD\n & + RXRAT( 439 ) ! xIPRD+MEO2=MEO2+0.5000D+...\n & + RXRAT( 440 ) ! xIPRD+RO2C=RO2C+0.5000D+...\n & + RXRAT( 441 ) ! xIPRD+RO2XC=RO2XC+0.5000D+...\n & + RXRAT( 442 ) ! xIPRD+MECO3=MECO3+IPRD\n & + RXRAT( 443 ) ! xIPRD+RCO3=RCO3+IPRD\n & + RXRAT( 444 ) ! xIPRD+BZCO3=BZCO3+IPRD\n & + RXRAT( 445 ) ! xIPRD+MACO3=MACO3+IPRD\n\n PROD( MACR ) = 3.0000D-03 * RXRAT( 253 ) ! AFG3+O3=0.3000D-02*MACR+...\n & + RXRAT( 416 ) ! xMACR+NO=MACR+NO\n & + RXRAT( 418 ) ! xMACR+NO3=MACR+NO3\n & + 5.0000D-01 * RXRAT( 419 ) ! xMACR+MEO2=0.5000D+00*MACR+...\n & + 5.0000D-01 * RXRAT( 420 ) ! xMACR+RO2C=0.5000D+00*MACR+...\n & + 5.0000D-01 * RXRAT( 421 ) ! xMACR+RO2XC=0.5000D+...\n & + RXRAT( 422 ) ! xMACR+MECO3=MACR+MECO3\n & + RXRAT( 423 ) ! xMACR+RCO3=MACR+RCO3\n & + RXRAT( 424 ) ! xMACR+BZCO3=MACR+BZCO3\n & + RXRAT( 425 ) ! xMACR+MACO3=MACR+MACO3\n & + 3.9000D-01 * RXRAT( 540 ) ! ISOPRENE+O3=0.3900D+...\n & + 2.9000D-01 * RXRAT( 545 ) ! ISOPOOH=0.2900D+00*MACR+...\n LOSS( MACR ) = RXRAT( 254 ) ! MACR+OH=0.5000D+00*MACO3+...\n & + RXRAT( 255 ) ! MACR+O3=0.2080D+00*OH+...\n & + RXRAT( 256 ) ! MACR+NO3=0.5000D+00*MACO3+...\n & + RXRAT( 257 ) ! MACR+O3P=RCHO\n & + RXRAT( 258 ) ! MACR=0.3300D+00*OH+0.6700D+...\n & + RXRAT( 628 ) ! MACR+CL=0.2500D+00*HCL+...\n\n PROD( MVK ) = 4.0000D-03 * RXRAT( 253 ) ! AFG3+O3=0.4000D-02*MVK+...\n & + RXRAT( 426 ) ! xMVK+NO=MVK+NO\n & + RXRAT( 428 ) ! xMVK+NO3=MVK+NO3\n & + 5.0000D-01 * RXRAT( 429 ) ! xMVK+MEO2=0.5000D+00*MVK+MEO2\n & + 5.0000D-01 * RXRAT( 430 ) ! xMVK+RO2C=0.5000D+00*MVK+RO2C\n & + 5.0000D-01 * RXRAT( 431 ) ! xMVK+RO2XC=0.5000D+00*MVK+...\n & + RXRAT( 432 ) ! xMVK+MECO3=MVK+MECO3\n & + RXRAT( 433 ) ! xMVK+RCO3=MVK+RCO3\n & + RXRAT( 434 ) ! xMVK+BZCO3=MVK+BZCO3\n & + RXRAT( 435 ) ! xMVK+MACO3=MVK+MACO3\n & + 3.7500D-01 * RXRAT( 536 ) ! BUTADIENE13+O3=0.3750D+...\n & + 1.6000D-01 * RXRAT( 540 ) ! ISOPRENE+O3=0.1600D+00*MVK+...\n & + 4.5000D-01 * RXRAT( 545 ) ! ISOPOOH=0.4500D+00*MVK+...\n LOSS( MVK ) = RXRAT( 259 ) ! MVK+OH=0.9750D+00*RO2C+...\n & + RXRAT( 260 ) ! MVK+O3=0.1640D+00*OH+...\n & + RXRAT( 261 ) ! MVK+O3P=0.4500D+00*RCHO+...\n & + RXRAT( 262 ) ! MVK=0.4000D+00*MEO2+...\n & + RXRAT( 629 ) ! MVK+CL=0.1283D+01*RO2C+...\n\n PROD( xHOCCHO ) = 6.7500D-01 * RXRAT( 259 ) ! MVK+OH=0.6750D+00*xHOCCHO+...\n & + 1.2900D-01 * RXRAT( 263 ) ! IPRD+OH=0.1290D+00*xHOCCHO+...\n & + 4.7000D-02 * RXRAT( 264 ) ! IPRD+O3=0.4700D-01*xHOCCHO+...\n & + 1.9500D-01 * RXRAT( 527 ) ! ETHENE+OH=0.1950D+...\n & + 1.0000D-02 * RXRAT( 564 ) ! ETOH+OH=0.1000D-01*xHOCCHO+...\n & + 7.0000D-03 * RXRAT( 571 ) ! OLE1+OH=0.7000D-02*xHOCCHO+...\n & + 2.0000D-03 * RXRAT( 584 ) ! TERP+NO3=0.2000D-...\n & + 6.1000D-02 * RXRAT( 677 ) ! ETOH+CL=0.6100D-01*xHOCCHO+...\n LOSS( xHOCCHO ) = RXRAT( 506 ) ! xHOCCHO+NO=NO+HOCCHO\n & + RXRAT( 507 ) ! xHOCCHO+HO2=HO2\n & + RXRAT( 508 ) ! xHOCCHO+NO3=NO3+HOCCHO\n & + RXRAT( 509 ) ! xHOCCHO+MEO2=MEO2+0.5000D+...\n & + RXRAT( 510 ) ! xHOCCHO+RO2C=RO2C+0.5000D+...\n & + RXRAT( 511 ) ! xHOCCHO+RO2XC=RO2XC+...\n & + RXRAT( 512 ) ! xHOCCHO+MECO3=MECO3+HOCCHO\n & + RXRAT( 513 ) ! xHOCCHO+RCO3=RCO3+HOCCHO\n & + RXRAT( 514 ) ! xHOCCHO+BZCO3=BZCO3+HOCCHO\n & + RXRAT( 515 ) ! xHOCCHO+MACO3=MACO3+HOCCHO\n\n PROD( xRNO3 ) = 5.7200D-01 * RXRAT( 265 ) ! IPRD+NO3=0.5720D+00*xRNO3+...\n & + 3.0500D-01 * RXRAT( 269 ) ! RNO3+OH=0.3050D+00*xRNO3+...\n & + 3.1000D-02 * RXRAT( 276 ) ! ACROLEIN+NO3=0.3100D-...\n & + 3.5500D-01 * RXRAT( 537 ) ! BUTADIENE13+NO3=0.3550D+...\n & + 5.0000D-02 * RXRAT( 544 ) ! ISOPOOH+OH=0.5000D-...\n & + 5.6000D-02 * RXRAT( 554 ) ! APIN+NO3=0.5600D-01*xRNO3+...\n & + 7.7400D-01 * RXRAT( 573 ) ! OLE1+NO3=0.7740D+00*xRNO3+...\n & + 3.2000D-01 * RXRAT( 577 ) ! OLE2+NO3=0.3200D+00*xRNO3+...\n & + 2.2800D-01 * RXRAT( 584 ) ! TERP+NO3=0.2280D+00*xRNO3+...\n & + 2.2800D-01 * RXRAT( 588 ) ! SESQ+NO3=0.2280D+00*xRNO3+...\n & + 5.4700D-01 * RXRAT( 618 ) ! RNO3+CL=0.5470D+00*xRNO3+...\n LOSS( xRNO3 ) = RXRAT( 446 ) ! xRNO3+NO=NO+RNO3\n & + RXRAT( 447 ) ! xRNO3+HO2=HO2\n & + RXRAT( 448 ) ! xRNO3+NO3=NO3+RNO3\n & + RXRAT( 449 ) ! xRNO3+MEO2=MEO2+0.5000D+...\n & + RXRAT( 450 ) ! xRNO3+RO2C=RO2C+0.5000D+...\n & + RXRAT( 451 ) ! xRNO3+RO2XC=RO2XC+0.5000D+...\n & + RXRAT( 452 ) ! xRNO3+MECO3=MECO3+RNO3\n & + RXRAT( 453 ) ! xRNO3+RCO3=RCO3+RNO3\n & + RXRAT( 454 ) ! xRNO3+BZCO3=BZCO3+RNO3\n & + RXRAT( 455 ) ! xRNO3+MACO3=MACO3+RNO3\n\n PROD( HOCCHO ) = 4.6700D-01 * RXRAT( 266 ) ! IPRD=0.4670D+00*HOCCHO+...\n & + RXRAT( 506 ) ! xHOCCHO+NO=HOCCHO+NO\n & + RXRAT( 508 ) ! xHOCCHO+NO3=HOCCHO+NO3\n & + 5.0000D-01 * RXRAT( 509 ) ! xHOCCHO+MEO2=0.5000D+...\n & + 5.0000D-01 * RXRAT( 510 ) ! xHOCCHO+RO2C=0.5000D+...\n & + 5.0000D-01 * RXRAT( 511 ) ! xHOCCHO+RO2XC=0.5000D+...\n & + RXRAT( 512 ) ! xHOCCHO+MECO3=HOCCHO+MECO3\n & + RXRAT( 513 ) ! xHOCCHO+RCO3=HOCCHO+RCO3\n & + RXRAT( 514 ) ! xHOCCHO+BZCO3=HOCCHO+BZCO3\n & + RXRAT( 515 ) ! xHOCCHO+MACO3=HOCCHO+MACO3\n & + 2.7500D-01 * RXRAT( 547 ) ! IEPOXOO+HO2=0.2750D+...\n & + 2.7500D-01 * RXRAT( 548 ) ! IEPOXOO+NO=0.2750D+...\n & + 1.3800D-01 * RXRAT( 549 ) ! IEPOXOO+MEO2=0.1380D+...\n & + 1.3800D-01 * RXRAT( 550 ) ! IEPOXOO+RO2C=0.1380D+...\n & + 2.7500D-01 * RXRAT( 551 ) ! IEPOXOO+MECO3=0.2750D+...\n LOSS( HOCCHO ) = RXRAT( 271 ) ! HOCCHO+OH=MECO3\n & + RXRAT( 272 ) ! HOCCHO=CO+0.2000D+01*HO2+HCHO\n & + RXRAT( 273 ) ! HOCCHO+NO3=HNO3+MECO3\n\n PROD( xACETONE ) = 4.0000D-03 * RXRAT( 269 ) ! RNO3+OH=0.4000D-...\n & + 8.0000D-03 * RXRAT( 270 ) ! RNO3=0.8000D-02*xACETONE+...\n & + 3.4000D-02 * RXRAT( 552 ) ! APIN+OH=0.3400D-...\n & + 3.4500D-01 * RXRAT( 553 ) ! APIN+O3=0.3450D+...\n & + 6.9000D-02 * RXRAT( 554 ) ! APIN+NO3=0.6900D-...\n & + 7.0400D-01 * RXRAT( 566 ) ! ALK2+OH=0.7040D+...\n & + 2.4000D-02 * RXRAT( 567 ) ! ALK3+OH=0.2400D-...\n & + 4.2600D-01 * RXRAT( 568 ) ! ALK4+OH=0.4260D+...\n & + 7.1000D-02 * RXRAT( 569 ) ! ALK5+OH=0.7100D-...\n & + 7.0000D-03 * RXRAT( 571 ) ! OLE1+OH=0.7000D-...\n & + 3.0000D-03 * RXRAT( 572 ) ! OLE1+O3=0.3000D-...\n & + 3.4000D-02 * RXRAT( 573 ) ! OLE1+NO3=0.3400D-...\n & + 1.4400D-01 * RXRAT( 575 ) ! OLE2+OH=0.1440D+...\n & + 1.1600D-01 * RXRAT( 577 ) ! OLE2+NO3=0.1160D+...\n & + 3.7000D-02 * RXRAT( 582 ) ! TERP+OH=0.3700D-...\n & + 5.7000D-02 * RXRAT( 583 ) ! TERP+O3=0.5700D-...\n & + 2.3900D-01 * RXRAT( 584 ) ! TERP+NO3=0.2390D+...\n & + 3.7000D-02 * RXRAT( 586 ) ! SESQ+OH=0.3700D-...\n & + 5.7000D-02 * RXRAT( 587 ) ! SESQ+O3=0.5700D-...\n & + 2.3900D-01 * RXRAT( 588 ) ! SESQ+NO3=0.2390D+...\n & + 3.0000D-03 * RXRAT( 618 ) ! RNO3+CL=0.3000D-...\n & + 2.7400D-01 * RXRAT( 670 ) ! APIN+CL=0.2740D+...\n & + 4.8800D-01 * RXRAT( 679 ) ! ALK2+CL=0.4880D+...\n & + 7.5000D-02 * RXRAT( 680 ) ! ALK3+CL=0.7500D-...\n & + 2.4700D-01 * RXRAT( 681 ) ! ALK4+CL=0.2470D+...\n & + 4.4000D-02 * RXRAT( 682 ) ! ALK5+CL=0.4400D-...\n & + 8.6000D-02 * RXRAT( 684 ) ! OLE2+CL=0.8600D-...\n & + 2.7400D-01 * RXRAT( 688 ) ! TERP+CL=0.2740D+...\n & + 2.7400D-01 * RXRAT( 689 ) ! SESQ+CL=0.2740D+...\n LOSS( xACETONE ) = RXRAT( 316 ) ! xACETONE+NO=NO+ACETONE\n & + RXRAT( 317 ) ! xACETONE+HO2=HO2\n & + RXRAT( 318 ) ! xACETONE+NO3=NO3+ACETONE\n & + RXRAT( 319 ) ! xACETONE+MEO2=MEO2+0.5000D+...\n & + RXRAT( 320 ) ! xACETONE+RO2C=RO2C+0.5000D+...\n & + RXRAT( 321 ) ! xACETONE+RO2XC=RO2XC+...\n & + RXRAT( 322 ) ! xACETONE+MECO3=MECO3+ACETONE\n & + RXRAT( 323 ) ! xACETONE+RCO3=RCO3+ACETONE\n & + RXRAT( 324 ) ! xACETONE+BZCO3=BZCO3+ACETONE\n & + RXRAT( 325 ) ! xACETONE+MACO3=MACO3+ACETONE\n\n PROD( ACROLEIN ) = RXRAT( 516 ) ! xACROLEIN+NO=ACROLEIN+NO\n & + RXRAT( 518 ) ! xACROLEIN+NO3=ACROLEIN+NO3\n & + 5.0000D-01 * RXRAT( 519 ) ! xACROLEIN+MEO2=0.5000D+...\n & + 5.0000D-01 * RXRAT( 520 ) ! xACROLEIN+RO2C=0.5000D+...\n & + 5.0000D-01 * RXRAT( 521 ) ! xACROLEIN+RO2XC=0.5000D+...\n & + RXRAT( 522 ) ! xACROLEIN+MECO3=ACROLEIN+MECO3\n & + RXRAT( 523 ) ! xACROLEIN+RCO3=ACROLEIN+RCO3\n & + RXRAT( 524 ) ! xACROLEIN+BZCO3=ACROLEIN+BZCO3\n & + RXRAT( 525 ) ! xACROLEIN+MACO3=ACROLEIN+MACO3\n & + 5.0000D-01 * RXRAT( 536 ) ! BUTADIENE13+O3=0.5000D+...\n LOSS( ACROLEIN ) = RXRAT( 274 ) ! ACROLEIN+OH=0.2500D+...\n & + RXRAT( 275 ) ! ACROLEIN+O3=0.8300D+00*HO2+...\n & + RXRAT( 276 ) ! ACROLEIN+NO3=0.3100D-...\n & + RXRAT( 277 ) ! ACROLEIN+O3P=RCHO\n & + RXRAT( 278 ) ! ACROLEIN=0.1066D+01*HO2+...\n & + RXRAT( 627 ) ! ACROLEIN+CL=0.4840D+...\n\n PROD( xBALD ) = 6.5000D-02 * RXRAT( 559 ) ! TOLUENE+OH=0.6500D-...\n & + 4.1000D-02 * RXRAT( 560 ) ! MXYL+OH=0.4100D-01*xBALD+...\n & + 4.7000D-02 * RXRAT( 561 ) ! OXYL+OH=0.4700D-01*xBALD+...\n & + 8.8000D-02 * RXRAT( 562 ) ! PXYL+OH=0.8800D-01*xBALD+...\n & + 3.6000D-02 * RXRAT( 563 ) ! TMBENZ124+OH=0.3600D-...\n & + 2.6000D-02 * RXRAT( 580 ) ! ARO2MN+OH=0.2600D-01*xBALD+...\n & + 2.6000D-02 * RXRAT( 581 ) ! NAPHTHAL+OH=0.2600D-...\n & + RXRAT( 622 ) ! CRES+CL=xBALD+xHO2+HCL+yR6OOH\n & + 8.9400D-01 * RXRAT( 672 ) ! TOLUENE+CL=0.8940D+...\n & + 8.6400D-01 * RXRAT( 673 ) ! MXYL+CL=0.8640D+00*xBALD+...\n & + 8.6400D-01 * RXRAT( 674 ) ! OXYL+CL=0.8640D+00*xBALD+...\n & + 8.6400D-01 * RXRAT( 675 ) ! PXYL+CL=0.8640D+00*xBALD+...\n & + 8.3800D-01 * RXRAT( 676 ) ! TMBENZ124+CL=0.8380D+...\n & + 4.6900D-01 * RXRAT( 686 ) ! ARO2MN+CL=0.4690D+00*xBALD+...\n & + 4.6900D-01 * RXRAT( 687 ) ! NAPHTHAL+CL=0.4690D+...\n LOSS( xBALD ) = RXRAT( 376 ) ! xBALD+NO=NO+BALD\n & + RXRAT( 377 ) ! xBALD+HO2=HO2\n & + RXRAT( 378 ) ! xBALD+NO3=NO3+BALD\n & + RXRAT( 379 ) ! xBALD+MEO2=MEO2+0.5000D+...\n & + RXRAT( 380 ) ! xBALD+RO2C=RO2C+0.5000D+...\n & + RXRAT( 381 ) ! xBALD+RO2XC=RO2XC+0.5000D+...\n & + RXRAT( 382 ) ! xBALD+MECO3=MECO3+BALD\n & + RXRAT( 383 ) ! xBALD+RCO3=RCO3+BALD\n & + RXRAT( 384 ) ! xBALD+BZCO3=BZCO3+BALD\n & + RXRAT( 385 ) ! xBALD+MACO3=MACO3+BALD\n\n PROD( xAFG3 ) = 2.8600D-01 * RXRAT( 562 ) ! PXYL+OH=0.2860D+00*xAFG3+...\n & + 1.5100D-01 * RXRAT( 563 ) ! TMBENZ124+OH=0.1510D+...\n & + 6.8000D-02 * RXRAT( 580 ) ! ARO2MN+OH=0.6800D-01*xAFG3+...\n & + 6.8000D-02 * RXRAT( 581 ) ! NAPHTHAL+OH=0.6800D-...\n & + 1.0000D-03 * RXRAT( 670 ) ! APIN+CL=0.1000D-02*xAFG3+...\n & + 1.0000D-03 * RXRAT( 688 ) ! TERP+CL=0.1000D-02*xAFG3+...\n & + 1.0000D-03 * RXRAT( 689 ) ! SESQ+CL=0.1000D-02*xAFG3+...\n LOSS( xAFG3 ) = RXRAT( 406 ) ! xAFG3+NO=NO+AFG3\n & + RXRAT( 407 ) ! xAFG3+HO2=HO2\n & + RXRAT( 408 ) ! xAFG3+NO3=NO3+AFG3\n & + RXRAT( 409 ) ! xAFG3+MEO2=MEO2+0.5000D+...\n & + RXRAT( 410 ) ! xAFG3+RO2C=RO2C+0.5000D+...\n & + RXRAT( 411 ) ! xAFG3+RO2XC=RO2XC+0.5000D+...\n & + RXRAT( 412 ) ! xAFG3+MECO3=MECO3+AFG3\n & + RXRAT( 413 ) ! xAFG3+RCO3=RCO3+AFG3\n & + RXRAT( 414 ) ! xAFG3+BZCO3=BZCO3+AFG3\n & + RXRAT( 415 ) ! xAFG3+MACO3=MACO3+AFG3\n\n PROD( xMACR ) = 2.3000D-01 * RXRAT( 539 ) ! ISOPRENE+OH=0.2300D+...\n & + 1.0000D-01 * RXRAT( 544 ) ! ISOPOOH+OH=0.1000D+...\n & + 1.0000D-03 * RXRAT( 571 ) ! OLE1+OH=0.1000D-02*xMACR+...\n & + 2.0000D-03 * RXRAT( 583 ) ! TERP+O3=0.2000D-02*xMACR+...\n & + 5.0000D-03 * RXRAT( 584 ) ! TERP+NO3=0.5000D-02*xMACR+...\n & + 2.0000D-03 * RXRAT( 587 ) ! SESQ+O3=0.2000D-02*xMACR+...\n & + 5.0000D-03 * RXRAT( 588 ) ! SESQ+NO3=0.5000D-02*xMACR+...\n & + 2.5000D-02 * RXRAT( 684 ) ! OLE2+CL=0.2500D-01*xMACR+...\n LOSS( xMACR ) = RXRAT( 416 ) ! xMACR+NO=NO+MACR\n & + RXRAT( 417 ) ! xMACR+HO2=HO2\n & + RXRAT( 418 ) ! xMACR+NO3=NO3+MACR\n & + RXRAT( 419 ) ! xMACR+MEO2=MEO2+0.5000D+...\n & + RXRAT( 420 ) ! xMACR+RO2C=RO2C+0.5000D+...\n & + RXRAT( 421 ) ! xMACR+RO2XC=RO2XC+0.5000D+...\n & + RXRAT( 422 ) ! xMACR+MECO3=MECO3+MACR\n & + RXRAT( 423 ) ! xMACR+RCO3=RCO3+MACR\n & + RXRAT( 424 ) ! xMACR+BZCO3=BZCO3+MACR\n & + RXRAT( 425 ) ! xMACR+MACO3=MACO3+MACR\n\n PROD( xMVK ) = 4.6000D-01 * RXRAT( 537 ) ! BUTADIENE13+NO3=0.4600D+...\n & + 3.2000D-01 * RXRAT( 539 ) ! ISOPRENE+OH=0.3200D+...\n & + 1.6000D-01 * RXRAT( 544 ) ! ISOPOOH+OH=0.1600D+00*xMVK+...\n & + 1.2000D-02 * RXRAT( 571 ) ! OLE1+OH=0.1200D-01*xMVK+...\n & + 2.0000D-03 * RXRAT( 575 ) ! OLE2+OH=0.2000D-02*xMVK+...\n & + 3.0000D-03 * RXRAT( 582 ) ! TERP+OH=0.3000D-02*xMVK+...\n & + 1.0000D-03 * RXRAT( 584 ) ! TERP+NO3=0.1000D-02*xMVK+...\n & + 3.0000D-03 * RXRAT( 586 ) ! SESQ+OH=0.3000D-02*xMVK+...\n & + 1.0000D-03 * RXRAT( 588 ) ! SESQ+NO3=0.1000D-02*xMVK+...\n & + 1.7700D-01 * RXRAT( 669 ) ! ISOPRENE+CL=0.1770D+...\n & + 3.0000D-03 * RXRAT( 670 ) ! APIN+CL=0.3000D-02*xMVK+...\n & + 1.9000D-02 * RXRAT( 683 ) ! OLE1+CL=0.1900D-01*xMVK+...\n & + 5.8000D-02 * RXRAT( 684 ) ! OLE2+CL=0.5800D-01*xMVK+...\n & + 3.0000D-03 * RXRAT( 688 ) ! TERP+CL=0.3000D-02*xMVK+...\n & + 3.0000D-03 * RXRAT( 689 ) ! SESQ+CL=0.3000D-02*xMVK+...\n LOSS( xMVK ) = RXRAT( 426 ) ! xMVK+NO=NO+MVK\n & + RXRAT( 427 ) ! xMVK+HO2=HO2\n & + RXRAT( 428 ) ! xMVK+NO3=NO3+MVK\n & + RXRAT( 429 ) ! xMVK+MEO2=MEO2+0.5000D+00*MVK\n & + RXRAT( 430 ) ! xMVK+RO2C=RO2C+0.5000D+00*MVK\n & + RXRAT( 431 ) ! xMVK+RO2XC=RO2XC+0.5000D+...\n & + RXRAT( 432 ) ! xMVK+MECO3=MECO3+MVK\n & + RXRAT( 433 ) ! xMVK+RCO3=RCO3+MVK\n & + RXRAT( 434 ) ! xMVK+BZCO3=BZCO3+MVK\n & + RXRAT( 435 ) ! xMVK+MACO3=MACO3+MVK\n\n PROD( yISOPOOH ) = RXRAT( 539 ) ! ISOPRENE+OH=yISOPOOH+...\n & + 3.8700D-01 * RXRAT( 544 ) ! ISOPOOH+OH=0.3870D+...\n LOSS( yISOPOOH ) = RXRAT( 476 ) ! yISOPOOH+NO=NO\n & + RXRAT( 477 ) ! yISOPOOH+HO2=HO2+ISOPOOH\n & + RXRAT( 478 ) ! yISOPOOH+NO3=NO3\n & + RXRAT( 479 ) ! yISOPOOH+MEO2=MEO2+0.5000D+...\n & + RXRAT( 480 ) ! yISOPOOH+RO2C=RO2C+0.5000D+...\n & + RXRAT( 481 ) ! yISOPOOH+RO2XC=RO2XC+...\n & + RXRAT( 482 ) ! yISOPOOH+MECO3=MECO3\n & + RXRAT( 483 ) ! yISOPOOH+RCO3=RCO3\n & + RXRAT( 484 ) ! yISOPOOH+BZCO3=BZCO3\n & + RXRAT( 485 ) ! yISOPOOH+MACO3=MACO3\n\n PROD( ISOPOOH ) = RXRAT( 477 ) ! yISOPOOH+HO2=ISOPOOH+HO2\n LOSS( ISOPOOH ) = RXRAT( 543 ) ! ISOPOOH+OH=IEPOX+OH\n & + RXRAT( 544 ) ! ISOPOOH+OH=0.1600D+00*xMVK+...\n & + RXRAT( 545 ) ! ISOPOOH=OH+0.9100D+00*HO2+...\n\n PROD( yRAOOH ) = 3.1400D-01 * RXRAT( 558 ) ! BENZENE+OH=0.3140D+...\n & + 4.3500D-01 * RXRAT( 559 ) ! TOLUENE+OH=0.4350D+...\n & + 5.5500D-01 * RXRAT( 560 ) ! MXYL+OH=0.5550D+00*yRAOOH+...\n & + 5.8600D-01 * RXRAT( 561 ) ! OXYL+OH=0.5860D+00*yRAOOH+...\n & + 4.6100D-01 * RXRAT( 562 ) ! PXYL+OH=0.4610D+00*yRAOOH+...\n & + 7.0500D-01 * RXRAT( 563 ) ! TMBENZ124+OH=0.7050D+...\n LOSS( yRAOOH ) = RXRAT( 486 ) ! yRAOOH+NO=NO\n & + RXRAT( 487 ) ! yRAOOH+HO2=HO2+RAOOH\n & + RXRAT( 488 ) ! yRAOOH+NO3=NO3\n & + RXRAT( 489 ) ! yRAOOH+MEO2=MEO2+0.5000D+...\n & + RXRAT( 490 ) ! yRAOOH+RO2C=RO2C+0.5000D+...\n & + RXRAT( 491 ) ! yRAOOH+RO2XC=RO2XC+0.5000D+...\n & + RXRAT( 492 ) ! yRAOOH+MECO3=MECO3\n & + RXRAT( 493 ) ! yRAOOH+RCO3=RCO3\n & + RXRAT( 494 ) ! yRAOOH+BZCO3=BZCO3\n & + RXRAT( 495 ) ! yRAOOH+MACO3=MACO3\n\n PROD( xACROLEIN ) = 4.8000D-01 * RXRAT( 535 ) ! BUTADIENE13+OH=0.4800D+...\n & + 1.1500D-01 * RXRAT( 538 ) ! BUTADIENE13+O3P=0.1150D+...\n & + 3.6000D-02 * RXRAT( 571 ) ! OLE1+OH=0.3600D-...\n & + 1.2400D-01 * RXRAT( 667 ) ! PROPENE+CL=0.1240D+...\n & + 4.5700D-01 * RXRAT( 668 ) ! BUTADIENE13+CL=0.4570D+...\n & + 2.1500D-01 * RXRAT( 683 ) ! OLE1+CL=0.2150D+...\n LOSS( xACROLEIN ) = RXRAT( 516 ) ! xACROLEIN+NO=NO+ACROLEIN\n & + RXRAT( 517 ) ! xACROLEIN+HO2=HO2\n & + RXRAT( 518 ) ! xACROLEIN+NO3=NO3+ACROLEIN\n & + RXRAT( 519 ) ! xACROLEIN+MEO2=MEO2+...\n & + RXRAT( 520 ) ! xACROLEIN+RO2C=RO2C+...\n & + RXRAT( 521 ) ! xACROLEIN+RO2XC=RO2XC+...\n & + RXRAT( 522 ) ! xACROLEIN+MECO3=MECO3+ACROLEIN\n & + RXRAT( 523 ) ! xACROLEIN+RCO3=RCO3+ACROLEIN\n & + RXRAT( 524 ) ! xACROLEIN+BZCO3=BZCO3+ACROLEIN\n & + RXRAT( 525 ) ! xACROLEIN+MACO3=MACO3+ACROLEIN\n\n PROD( ETHENE ) = 0.0D0\n LOSS( ETHENE ) = RXRAT( 527 ) ! ETHENE+OH=xHO2+RO2C+...\n & + RXRAT( 528 ) ! ETHENE+O3=0.1600D+00*HO2+...\n & + RXRAT( 529 ) ! ETHENE+NO3=xHO2+RO2C+xRCHO+...\n & + RXRAT( 530 ) ! ETHENE+O3P=0.8000D+00*HO2+...\n & + RXRAT( 666 ) ! ETHENE+CL=xHO2+0.2000D+...\n\n PROD( PROPENE ) = 0.0D0\n LOSS( PROPENE ) = RXRAT( 531 ) ! PROPENE+OH=0.9840D+00*xHO2+...\n & + RXRAT( 532 ) ! PROPENE+O3=0.1650D+00*HO2+...\n & + RXRAT( 533 ) ! PROPENE+NO3=0.9490D+...\n & + RXRAT( 534 ) ! PROPENE+O3P=0.4500D+...\n & + RXRAT( 667 ) ! PROPENE+CL=0.1240D+00*HCL+...\n\n PROD( BUTADIENE13 ) = 0.0D0\n LOSS( BUTADIENE13 ) = RXRAT( 535 ) ! BUTADIENE13+OH=0.9510D+...\n & + RXRAT( 536 ) ! BUTADIENE13+O3=0.8000D-...\n & + RXRAT( 537 ) ! BUTADIENE13+NO3=0.8150D+...\n & + RXRAT( 538 ) ! BUTADIENE13+O3P=0.2500D+...\n & + RXRAT( 668 ) ! BUTADIENE13+CL=0.3900D+...\n\n PROD( ISOPRENE ) = 0.0D0\n LOSS( ISOPRENE ) = RXRAT( 539 ) ! ISOPRENE+OH=0.9070D+...\n & + RXRAT( 540 ) ! ISOPRENE+O3=0.6600D-01*HO2+...\n & + RXRAT( 541 ) ! ISOPRENE+NO3=0.7490D+...\n & + RXRAT( 542 ) ! ISOPRENE+O3P=0.2500D+...\n & + RXRAT( 669 ) ! ISOPRENE+CL=0.1500D+00*HCL+...\n\n PROD( ISOPRXN ) = RXRAT( 539 ) ! ISOPRENE+OH=ISOPRXN+...\n & + RXRAT( 541 ) ! ISOPRENE+NO3=ISOPRXN+...\n LOSS( ISOPRXN ) = 0.0D0\n\n PROD( IEPOX ) = RXRAT( 543 ) ! ISOPOOH+OH=IEPOX+OH\n LOSS( IEPOX ) = RXRAT( 546 ) ! IEPOX+OH=IEPOXOO\n & + RXRAT( 752 ) ! IEPOX=AISO3J\n\n PROD( ARO2MN ) = 2.0000D-02 * RXRAT( 544 ) ! ISOPOOH+OH=0.2000D-...\n & + 5.0000D-02 * RXRAT( 545 ) ! ISOPOOH=0.5000D-01*ARO2MN+...\n LOSS( ARO2MN ) = RXRAT( 580 ) ! ARO2MN+OH=0.7700D-01*HO2+...\n & + RXRAT( 686 ) ! ARO2MN+CL=0.8280D+00*xHO2+...\n\n PROD( IEPOXOO ) = RXRAT( 546 ) ! IEPOX+OH=IEPOXOO\n LOSS( IEPOXOO ) = RXRAT( 547 ) ! IEPOXOO+HO2=0.7250D+00*MEK+...\n & + RXRAT( 548 ) ! IEPOXOO+NO=0.7250D+00*MEK+...\n & + RXRAT( 549 ) ! IEPOXOO+MEO2=0.3630D+...\n & + RXRAT( 550 ) ! IEPOXOO+RO2C=0.3630D+...\n & + RXRAT( 551 ) ! IEPOXOO+MECO3=0.7250D+...\n\n PROD( APIN ) = 0.0D0\n LOSS( APIN ) = RXRAT( 552 ) ! APIN+OH=0.7990D+00*xHO2+...\n & + RXRAT( 553 ) ! APIN+O3=0.9000D-02*HO2+...\n & + RXRAT( 554 ) ! APIN+NO3=0.5600D-01*xHO2+...\n & + RXRAT( 555 ) ! APIN+O3P=PRD2+TRPRXN\n & + RXRAT( 670 ) ! APIN+CL=0.5480D+00*HCL+...\n\n PROD( TRPRXN ) = RXRAT( 552 ) ! APIN+OH=TRPRXN+0.4000D-...\n & + RXRAT( 553 ) ! APIN+O3=TRPRXN+0.1020D+...\n & + RXRAT( 554 ) ! APIN+NO3=TRPRXN+0.6430D+...\n & + RXRAT( 555 ) ! APIN+O3P=TRPRXN+PRD2\n & + RXRAT( 582 ) ! TERP+OH=TRPRXN+0.6400D-...\n & + RXRAT( 583 ) ! TERP+O3=TRPRXN+0.4600D-...\n & + RXRAT( 584 ) ! TERP+NO3=TRPRXN+0.2870D+...\n & + RXRAT( 585 ) ! TERP+O3P=TRPRXN+0.7630D+...\n LOSS( TRPRXN ) = 0.0D0\n\n PROD( ACETYLENE ) = 0.0D0\n LOSS( ACETYLENE ) = RXRAT( 556 ) ! ACETYLENE+OH=0.3000D+...\n & + RXRAT( 557 ) ! ACETYLENE+O3=0.1500D+...\n & + RXRAT( 671 ) ! ACETYLENE+CL=HO2+CO\n\n PROD( BENZENE ) = 0.0D0\n LOSS( BENZENE ) = RXRAT( 558 ) ! BENZENE+OH=0.5700D+00*HO2+...\n\n PROD( BENZRO2 ) = RXRAT( 558 ) ! BENZENE+OH=BENZRO2+0.2900D+...\n LOSS( BENZRO2 ) = RXRAT( 690 ) ! BENZRO2+NO=NO+BNZNRXN\n & + RXRAT( 691 ) ! BENZRO2+HO2=HO2+BNZHRXN\n\n PROD( TOLUENE ) = 0.0D0\n LOSS( TOLUENE ) = RXRAT( 559 ) ! TOLUENE+OH=0.1810D+00*HO2+...\n & + RXRAT( 672 ) ! TOLUENE+CL=0.8940D+00*xHO2+...\n\n PROD( TOLRO2 ) = RXRAT( 559 ) ! TOLUENE+OH=TOLRO2+0.4540D+...\n & + RXRAT( 579 ) ! ARO1+OH=TOLRO2+0.5660D+...\n LOSS( TOLRO2 ) = RXRAT( 694 ) ! TOLRO2+NO=NO+TOLNRXN\n & + RXRAT( 695 ) ! TOLRO2+HO2=HO2+TOLHRXN\n\n PROD( MXYL ) = 0.0D0\n LOSS( MXYL ) = RXRAT( 560 ) ! MXYL+OH=0.1590D+00*HO2+...\n & + RXRAT( 673 ) ! MXYL+CL=0.8640D+00*xHO2+...\n\n PROD( XYLRO2 ) = RXRAT( 560 ) ! MXYL+OH=XYLRO2+0.5200D+...\n & + RXRAT( 561 ) ! OXYL+OH=XYLRO2+0.5540D+...\n & + RXRAT( 562 ) ! PXYL+OH=XYLRO2+0.4870D+...\n & + RXRAT( 563 ) ! TMBENZ124+OH=XYLRO2+...\n & + RXRAT( 580 ) ! ARO2MN+OH=XYLRO2+0.6170D+...\n LOSS( XYLRO2 ) = RXRAT( 692 ) ! XYLRO2+NO=NO+XYLNRXN\n & + RXRAT( 693 ) ! XYLRO2+HO2=HO2+XYLHRXN\n\n PROD( OXYL ) = 0.0D0\n LOSS( OXYL ) = RXRAT( 561 ) ! OXYL+OH=0.1610D+00*HO2+...\n & + RXRAT( 674 ) ! OXYL+CL=0.8640D+00*xHO2+...\n\n PROD( PXYL ) = 0.0D0\n LOSS( PXYL ) = RXRAT( 562 ) ! PXYL+OH=0.1590D+00*HO2+...\n & + RXRAT( 675 ) ! PXYL+CL=0.8640D+00*xHO2+...\n\n PROD( TMBENZ124 ) = 0.0D0\n LOSS( TMBENZ124 ) = RXRAT( 563 ) ! TMBENZ124+OH=0.2200D-...\n & + RXRAT( 676 ) ! TMBENZ124+CL=0.8380D+...\n\n PROD( ETOH ) = 0.0D0\n LOSS( ETOH ) = RXRAT( 564 ) ! ETOH+OH=0.9500D+00*HO2+...\n & + RXRAT( 677 ) ! ETOH+CL=HCL+0.6880D+00*HO2+...\n\n PROD( ALK1 ) = 0.0D0\n LOSS( ALK1 ) = RXRAT( 565 ) ! ALK1+OH=xHO2+RO2C+xCCHO+yROOH\n & + RXRAT( 678 ) ! ALK1+CL=HCL+xHO2+RO2C+...\n\n PROD( ALK2 ) = 0.0D0\n LOSS( ALK2 ) = RXRAT( 566 ) ! ALK2+OH=0.9650D+00*xHO2+...\n & + RXRAT( 679 ) ! ALK2+CL=HCL+0.9700D+...\n\n PROD( ALK3 ) = 0.0D0\n LOSS( ALK3 ) = RXRAT( 567 ) ! ALK3+OH=0.6950D+00*xHO2+...\n & + RXRAT( 680 ) ! ALK3+CL=HCL+0.8350D+...\n\n PROD( ALK4 ) = 0.0D0\n LOSS( ALK4 ) = RXRAT( 568 ) ! ALK4+OH=0.8300D+00*xHO2+...\n & + RXRAT( 681 ) ! ALK4+CL=HCL+0.8270D+...\n\n PROD( ALK5 ) = 0.0D0\n LOSS( ALK5 ) = RXRAT( 569 ) ! ALK5+OH=0.6470D+00*xHO2+...\n & + RXRAT( 682 ) ! ALK5+CL=HCL+0.6470D+...\n\n PROD( SOAALK ) = 0.0D0\n LOSS( SOAALK ) = RXRAT( 570 ) ! SOAALK+OH=OH+0.4700D+00*ALKRXN\n\n PROD( ALKRXN ) = 4.7000D-01 * RXRAT( 570 ) ! SOAALK+OH=0.4700D+00*ALKRXN+OH\n LOSS( ALKRXN ) = 0.0D0\n\n PROD( OLE1 ) = 0.0D0\n LOSS( OLE1 ) = RXRAT( 571 ) ! OLE1+OH=0.8710D+00*xHO2+...\n & + RXRAT( 572 ) ! OLE1+O3=0.9500D-01*HO2+...\n & + RXRAT( 573 ) ! OLE1+NO3=0.7720D+00*xHO2+...\n & + RXRAT( 574 ) ! OLE1+O3P=0.4500D+00*RCHO+...\n & + RXRAT( 683 ) ! OLE1+CL=0.3840D+00*HCL+...\n\n PROD( OLE2 ) = 0.0D0\n LOSS( OLE2 ) = RXRAT( 575 ) ! OLE2+OH=0.9120D+00*xHO2+...\n & + RXRAT( 576 ) ! OLE2+O3=0.9400D-01*HO2+...\n & + RXRAT( 577 ) ! OLE2+NO3=0.4000D+00*xHO2+...\n & + RXRAT( 578 ) ! OLE2+O3P=0.7900D-01*RCHO+...\n & + RXRAT( 684 ) ! OLE2+CL=0.2790D+00*HCL+...\n\n PROD( ARO1 ) = 0.0D0\n LOSS( ARO1 ) = RXRAT( 579 ) ! ARO1+OH=0.1230D+00*HO2+...\n & + RXRAT( 685 ) ! ARO1+CL=0.8400D+00*xHO2+...\n\n PROD( NAPHTHAL ) = 0.0D0\n LOSS( NAPHTHAL ) = RXRAT( 581 ) ! NAPHTHAL+OH=0.7700D-01*HO2+...\n & + RXRAT( 687 ) ! NAPHTHAL+CL=0.8280D+...\n\n PROD( PAHRO2 ) = RXRAT( 581 ) ! NAPHTHAL+OH=PAHRO2+0.6170D+...\n LOSS( PAHRO2 ) = RXRAT( 696 ) ! PAHRO2+NO=NO+PAHNRXN\n & + RXRAT( 697 ) ! PAHRO2+HO2=HO2+PAHHRXN\n\n PROD( TERP ) = 0.0D0\n LOSS( TERP ) = RXRAT( 582 ) ! TERP+OH=0.7340D+00*xHO2+...\n & + RXRAT( 583 ) ! TERP+O3=0.7800D-01*HO2+...\n & + RXRAT( 584 ) ! TERP+NO3=0.2270D+00*xHO2+...\n & + RXRAT( 585 ) ! TERP+O3P=0.2370D+00*RCHO+...\n & + RXRAT( 688 ) ! TERP+CL=0.5480D+00*HCL+...\n\n PROD( SESQ ) = 0.0D0\n LOSS( SESQ ) = RXRAT( 586 ) ! SESQ+OH=0.7340D+00*xHO2+...\n & + RXRAT( 587 ) ! SESQ+O3=0.7800D-01*HO2+...\n & + RXRAT( 588 ) ! SESQ+NO3=0.2270D+00*xHO2+...\n & + RXRAT( 589 ) ! SESQ+O3P=0.2370D+00*RCHO+...\n & + RXRAT( 689 ) ! SESQ+CL=0.2520D+00*xHO2+...\n\n PROD( SESQRXN ) = RXRAT( 586 ) ! SESQ+OH=SESQRXN+0.6400D-...\n & + RXRAT( 587 ) ! SESQ+O3=SESQRXN+0.4600D-...\n & + RXRAT( 588 ) ! SESQ+NO3=SESQRXN+0.2870D+...\n & + RXRAT( 589 ) ! SESQ+O3P=SESQRXN+0.7630D+...\n LOSS( SESQRXN ) = 0.0D0\n\n PROD( CL2 ) = RXRAT( 606 ) ! CL+CLONO2=CL2+NO3\n & + 2.9000D-01 * RXRAT( 609 ) ! CLO+CLO=0.2900D+00*CL2+...\n LOSS( CL2 ) = RXRAT( 590 ) ! CL2=0.2000D+01*CL\n\n PROD( CL ) = 2.0000D+00 * RXRAT( 590 ) ! CL2=0.2000D+01*CL\n & + RXRAT( 592 ) ! CLNO=CL+NO\n & + RXRAT( 595 ) ! CLONO=CL+NO2\n & + RXRAT( 596 ) ! CLNO2=CL+NO2\n & + RXRAT( 601 ) ! CLO+NO=CL+NO2\n & + RXRAT( 604 ) ! CLONO2=CL+NO3\n & + RXRAT( 608 ) ! HOCL=CL+OH\n & + 1.4200D+00 * RXRAT( 609 ) ! CLO+CLO=0.1420D+01*CL+...\n & + RXRAT( 610 ) ! OH+HCL=CL\n & + RXRAT( 635 ) ! xCL+NO=CL+NO\n & + RXRAT( 637 ) ! xCL+NO3=CL+NO3\n & + 5.0000D-01 * RXRAT( 638 ) ! xCL+MEO2=0.5000D+00*CL+MEO2\n & + 5.0000D-01 * RXRAT( 639 ) ! xCL+RO2C=0.5000D+00*CL+RO2C\n & + 5.0000D-01 * RXRAT( 640 ) ! xCL+RO2XC=0.5000D+00*CL+RO2XC\n & + RXRAT( 641 ) ! xCL+MECO3=CL+MECO3\n & + RXRAT( 642 ) ! xCL+RCO3=CL+RCO3\n & + RXRAT( 643 ) ! xCL+BZCO3=CL+BZCO3\n & + RXRAT( 644 ) ! xCL+MACO3=CL+MACO3\n LOSS( CL ) = RXRAT( 591 ) ! CL+NO=CLNO\n & + RXRAT( 593 ) ! CL+NO2=CLONO\n & + RXRAT( 594 ) ! CL+NO2=CLNO2\n & + RXRAT( 597 ) ! CL+HO2=HCL\n & + RXRAT( 598 ) ! CL+HO2=CLO+OH\n & + RXRAT( 599 ) ! CL+O3=CLO\n & + RXRAT( 600 ) ! CL+NO3=CLO+NO2\n & + RXRAT( 606 ) ! CL+CLONO2=CL2+NO3\n & + RXRAT( 611 ) ! CL=HCL+HO2\n & + RXRAT( 612 ) ! CL+HCHO=HCL+HO2+CO\n & + RXRAT( 613 ) ! CL+CCHO=HCL+MECO3\n & + RXRAT( 614 ) ! CL+MEOH=HCL+HCHO+HO2\n & + RXRAT( 615 ) ! CL+RCHO=HCL+0.9000D+...\n & + RXRAT( 616 ) ! CL+ACETONE=HCL+RO2C+xHCHO+...\n & + RXRAT( 617 ) ! CL+MEK=HCL+0.9750D+00*RO2C+...\n & + RXRAT( 618 ) ! CL+RNO3=HCL+0.3800D-01*NO2+...\n & + RXRAT( 619 ) ! CL+PRD2=HCL+0.3140D+00*HO2+...\n & + RXRAT( 620 ) ! CL+GLY=HCL+0.6300D+00*HO2+...\n & + RXRAT( 621 ) ! CL+MGLY=HCL+CO+MECO3\n & + RXRAT( 622 ) ! CL+CRES=HCL+xHO2+xBALD+yR6OOH\n & + RXRAT( 623 ) ! CL+BALD=HCL+BZCO3\n & + RXRAT( 624 ) ! CL+ROOH=HCL+0.4140D+00*OH+...\n & + RXRAT( 625 ) ! CL+R6OOH=HCL+0.1450D+00*OH+...\n & + RXRAT( 626 ) ! CL+RAOOH=0.4040D+00*HCL+...\n & + RXRAT( 627 ) ! CL+ACROLEIN=0.4840D+...\n & + RXRAT( 628 ) ! CL+MACR=0.2500D+00*HCL+...\n & + RXRAT( 629 ) ! CL+MVK=0.1283D+01*RO2C+...\n & + RXRAT( 630 ) ! CL+IPRD=0.4010D+00*HCL+...\n & + RXRAT( 633 ) ! CL+CLCCHO=HCL+RCO3\n & + RXRAT( 665 ) ! CL=HCL+MEO2\n & + RXRAT( 666 ) ! CL+ETHENE=xHO2+0.2000D+...\n & + RXRAT( 667 ) ! CL+PROPENE=0.1240D+00*HCL+...\n & + RXRAT( 668 ) ! CL+BUTADIENE13=0.3900D+...\n & + RXRAT( 669 ) ! CL+ISOPRENE=0.1500D+00*HCL+...\n & + RXRAT( 670 ) ! CL+APIN=0.5480D+00*HCL+...\n & + RXRAT( 671 ) ! CL+ACETYLENE=HO2+CO\n & + RXRAT( 672 ) ! CL+TOLUENE=0.8940D+00*xHO2+...\n & + RXRAT( 673 ) ! CL+MXYL=0.8640D+00*xHO2+...\n & + RXRAT( 674 ) ! CL+OXYL=0.8640D+00*xHO2+...\n & + RXRAT( 675 ) ! CL+PXYL=0.8640D+00*xHO2+...\n & + RXRAT( 676 ) ! CL+TMBENZ124=0.8380D+...\n & + RXRAT( 677 ) ! CL+ETOH=HCL+0.6880D+00*HO2+...\n & + RXRAT( 678 ) ! CL+ALK1=HCL+xHO2+RO2C+...\n & + RXRAT( 679 ) ! CL+ALK2=HCL+0.9700D+...\n & + RXRAT( 680 ) ! CL+ALK3=HCL+0.8350D+...\n & + RXRAT( 681 ) ! CL+ALK4=HCL+0.8270D+...\n & + RXRAT( 682 ) ! CL+ALK5=HCL+0.6470D+...\n & + RXRAT( 683 ) ! CL+OLE1=0.3840D+00*HCL+...\n & + RXRAT( 684 ) ! CL+OLE2=0.2790D+00*HCL+...\n & + RXRAT( 685 ) ! CL+ARO1=0.8400D+00*xHO2+...\n & + RXRAT( 686 ) ! CL+ARO2MN=0.8280D+00*xHO2+...\n & + RXRAT( 687 ) ! CL+NAPHTHAL=0.8280D+...\n & + RXRAT( 688 ) ! CL+TERP=0.5480D+00*HCL+...\n & + RXRAT( 689 ) ! CL+SESQ=0.2520D+00*xHO2+...\n\n PROD( CLNO ) = RXRAT( 591 ) ! CL+NO=CLNO\n LOSS( CLNO ) = RXRAT( 592 ) ! CLNO=CL+NO\n\n PROD( CLONO ) = RXRAT( 593 ) ! CL+NO2=CLONO\n LOSS( CLONO ) = RXRAT( 595 ) ! CLONO=CL+NO2\n\n PROD( CLNO2 ) = RXRAT( 594 ) ! CL+NO2=CLNO2\n & + RXRAT( 718 ) ! H2NO3PIJ+ACLI=CLNO2\n & + RXRAT( 719 ) ! H2NO3PIJ+ACLJ=CLNO2\n & + RXRAT( 720 ) ! H2NO3PK+ACLK=CLNO2\n LOSS( CLNO2 ) = RXRAT( 596 ) ! CLNO2=CL+NO2\n\n PROD( HCL ) = RXRAT( 597 ) ! CL+HO2=HCL\n & + RXRAT( 611 ) ! CL=HCL+HO2\n & + RXRAT( 612 ) ! HCHO+CL=HCL+HO2+CO\n & + RXRAT( 613 ) ! CCHO+CL=HCL+MECO3\n & + RXRAT( 614 ) ! MEOH+CL=HCL+HCHO+HO2\n & + RXRAT( 615 ) ! RCHO+CL=HCL+0.9000D+...\n & + RXRAT( 616 ) ! ACETONE+CL=HCL+RO2C+xHCHO+...\n & + RXRAT( 617 ) ! MEK+CL=HCL+0.9750D+00*RO2C+...\n & + RXRAT( 618 ) ! RNO3+CL=HCL+0.3800D-01*NO2+...\n & + RXRAT( 619 ) ! PRD2+CL=HCL+0.3140D+00*HO2+...\n & + RXRAT( 620 ) ! GLY+CL=HCL+0.6300D+00*HO2+...\n & + RXRAT( 621 ) ! MGLY+CL=HCL+CO+MECO3\n & + RXRAT( 622 ) ! CRES+CL=HCL+xHO2+xBALD+yR6OOH\n & + RXRAT( 623 ) ! BALD+CL=HCL+BZCO3\n & + RXRAT( 624 ) ! ROOH+CL=HCL+0.4140D+00*OH+...\n & + RXRAT( 625 ) ! R6OOH+CL=HCL+0.1450D+00*OH+...\n & + 4.0400D-01 * RXRAT( 626 ) ! RAOOH+CL=0.4040D+00*HCL+...\n & + 2.1600D-01 * RXRAT( 627 ) ! ACROLEIN+CL=0.2160D+00*HCL+...\n & + 2.5000D-01 * RXRAT( 628 ) ! MACR+CL=0.2500D+00*HCL+...\n & + 4.0100D-01 * RXRAT( 630 ) ! IPRD+CL=0.4010D+00*HCL+...\n & + RXRAT( 633 ) ! CLCCHO+CL=HCL+RCO3\n & + RXRAT( 665 ) ! CL=HCL+MEO2\n & + 1.2400D-01 * RXRAT( 667 ) ! PROPENE+CL=0.1240D+00*HCL+...\n & + 1.5000D-01 * RXRAT( 669 ) ! ISOPRENE+CL=0.1500D+00*HCL+...\n & + 5.4800D-01 * RXRAT( 670 ) ! APIN+CL=0.5480D+00*HCL+...\n & + RXRAT( 677 ) ! ETOH+CL=HCL+0.6880D+00*HO2+...\n & + RXRAT( 678 ) ! ALK1+CL=HCL+xHO2+RO2C+...\n & + RXRAT( 679 ) ! ALK2+CL=HCL+0.9700D+...\n & + RXRAT( 680 ) ! ALK3+CL=HCL+0.8350D+...\n & + RXRAT( 681 ) ! ALK4+CL=HCL+0.8270D+...\n & + RXRAT( 682 ) ! ALK5+CL=HCL+0.6470D+...\n & + 3.8400D-01 * RXRAT( 683 ) ! OLE1+CL=0.3840D+00*HCL+...\n & + 2.7900D-01 * RXRAT( 684 ) ! OLE2+CL=0.2790D+00*HCL+...\n & + 5.4800D-01 * RXRAT( 688 ) ! TERP+CL=0.5480D+00*HCL+...\n & + 5.4800D-01 * RXRAT( 689 ) ! SESQ+CL=0.5480D+00*HCL+...\n LOSS( HCL ) = RXRAT( 610 ) ! HCL+OH=CL\n\n PROD( CLO ) = RXRAT( 598 ) ! CL+HO2=CLO+OH\n & + RXRAT( 599 ) ! CL+O3=CLO\n & + RXRAT( 600 ) ! CL+NO3=CLO+NO2\n & + RXRAT( 603 ) ! CLONO2=CLO+NO2\n & + RXRAT( 605 ) ! CLONO2=CLO+NO2\n LOSS( CLO ) = RXRAT( 601 ) ! CLO+NO=CL+NO2\n & + RXRAT( 602 ) ! CLO+NO2=CLONO2\n & + RXRAT( 607 ) ! CLO+HO2=HOCL\n & + 2.0000D+00 * RXRAT( 609 ) ! CLO+CLO=0.2900D+00*CL2+...\n\n PROD( CLONO2 ) = RXRAT( 602 ) ! CLO+NO2=CLONO2\n LOSS( CLONO2 ) = RXRAT( 603 ) ! CLONO2=CLO+NO2\n & + RXRAT( 604 ) ! CLONO2=CL+NO3\n & + RXRAT( 605 ) ! CLONO2=CLO+NO2\n & + RXRAT( 606 ) ! CLONO2+CL=CL2+NO3\n\n PROD( HOCL ) = RXRAT( 607 ) ! CLO+HO2=HOCL\n LOSS( HOCL ) = RXRAT( 608 ) ! HOCL=OH+CL\n\n PROD( xCL ) = 2.7400D-01 * RXRAT( 627 ) ! ACROLEIN+CL=0.2740D+00*xCL+...\n & + RXRAT( 631 ) ! CLCCHO=xCL+CO+RO2C+HO2+...\n & + RXRAT( 634 ) ! CLACET=xCL+RO2C+MECO3+...\n & + 5.4100D-01 * RXRAT( 668 ) ! BUTADIENE13+CL=0.5410D+...\n & + 1.7700D-01 * RXRAT( 669 ) ! ISOPRENE+CL=0.1770D+00*xCL+...\n & + 6.8000D-02 * RXRAT( 670 ) ! APIN+CL=0.6800D-01*xCL+...\n & + 4.4200D-01 * RXRAT( 684 ) ! OLE2+CL=0.4420D+00*xCL+...\n & + 6.8000D-02 * RXRAT( 688 ) ! TERP+CL=0.6800D-01*xCL+...\n & + 6.8000D-02 * RXRAT( 689 ) ! SESQ+CL=0.6800D-01*xCL+...\n LOSS( xCL ) = RXRAT( 635 ) ! xCL+NO=NO+CL\n & + RXRAT( 636 ) ! xCL+HO2=HO2\n & + RXRAT( 637 ) ! xCL+NO3=NO3+CL\n & + RXRAT( 638 ) ! xCL+MEO2=MEO2+0.5000D+00*CL\n & + RXRAT( 639 ) ! xCL+RO2C=RO2C+0.5000D+00*CL\n & + RXRAT( 640 ) ! xCL+RO2XC=RO2XC+0.5000D+00*CL\n & + RXRAT( 641 ) ! xCL+MECO3=MECO3+CL\n & + RXRAT( 642 ) ! xCL+RCO3=RCO3+CL\n & + RXRAT( 643 ) ! xCL+BZCO3=BZCO3+CL\n & + RXRAT( 644 ) ! xCL+MACO3=MACO3+CL\n\n PROD( xCLCCHO ) = 4.8400D-01 * RXRAT( 627 ) ! ACROLEIN+CL=0.4840D+...\n & + 1.8000D-01 * RXRAT( 628 ) ! MACR+CL=0.1800D+00*xCLCCHO+...\n & + 9.4700D-01 * RXRAT( 629 ) ! MVK+CL=0.9470D+00*xCLCCHO+...\n & + 1.4000D-01 * RXRAT( 630 ) ! IPRD+CL=0.1400D+00*xCLCCHO+...\n & + 3.0600D-01 * RXRAT( 667 ) ! PROPENE+CL=0.3060D+...\n & + 6.7000D-02 * RXRAT( 669 ) ! ISOPRENE+CL=0.6700D-...\n & + 1.0900D-01 * RXRAT( 670 ) ! APIN+CL=0.1090D+00*xCLCCHO+...\n & + 1.9200D-01 * RXRAT( 683 ) ! OLE1+CL=0.1920D+00*xCLCCHO+...\n & + 1.3000D-02 * RXRAT( 684 ) ! OLE2+CL=0.1300D-01*xCLCCHO+...\n & + 1.0900D-01 * RXRAT( 688 ) ! TERP+CL=0.1090D+00*xCLCCHO+...\n & + 1.0900D-01 * RXRAT( 689 ) ! SESQ+CL=0.1090D+00*xCLCCHO+...\n LOSS( xCLCCHO ) = RXRAT( 645 ) ! xCLCCHO+NO=NO+CLCCHO\n & + RXRAT( 646 ) ! xCLCCHO+HO2=HO2\n & + RXRAT( 647 ) ! xCLCCHO+NO3=NO3+CLCCHO\n & + RXRAT( 648 ) ! xCLCCHO+MEO2=MEO2+0.5000D+...\n & + RXRAT( 649 ) ! xCLCCHO+RO2C=RO2C+0.5000D+...\n & + RXRAT( 650 ) ! xCLCCHO+RO2XC=RO2XC+...\n & + RXRAT( 651 ) ! xCLCCHO+MECO3=MECO3+CLCCHO\n & + RXRAT( 652 ) ! xCLCCHO+RCO3=RCO3+CLCCHO\n & + RXRAT( 653 ) ! xCLCCHO+BZCO3=BZCO3+CLCCHO\n & + RXRAT( 654 ) ! xCLCCHO+MACO3=MACO3+CLCCHO\n\n PROD( xCLACET ) = 5.4100D-01 * RXRAT( 628 ) ! MACR+CL=0.5410D+00*xCLACET+...\n & + 4.2000D-01 * RXRAT( 630 ) ! IPRD+CL=0.4200D+00*xCLACET+...\n & + 5.4000D-01 * RXRAT( 667 ) ! PROPENE+CL=0.5400D+...\n & + 3.3700D-01 * RXRAT( 683 ) ! OLE1+CL=0.3370D+00*xCLACET+...\n & + 1.9100D-01 * RXRAT( 684 ) ! OLE2+CL=0.1910D+00*xCLACET+...\n LOSS( xCLACET ) = RXRAT( 655 ) ! xCLACET+NO=NO+CLACET\n & + RXRAT( 656 ) ! xCLACET+HO2=HO2\n & + RXRAT( 657 ) ! xCLACET+NO3=NO3+CLACET\n & + RXRAT( 658 ) ! xCLACET+MEO2=MEO2+0.5000D+...\n & + RXRAT( 659 ) ! xCLACET+RO2C=RO2C+0.5000D+...\n & + RXRAT( 660 ) ! xCLACET+RO2XC=RO2XC+...\n & + RXRAT( 661 ) ! xCLACET+MECO3=MECO3+CLACET\n & + RXRAT( 662 ) ! xCLACET+RCO3=RCO3+CLACET\n & + RXRAT( 663 ) ! xCLACET+BZCO3=BZCO3+CLACET\n & + RXRAT( 664 ) ! xCLACET+MACO3=MACO3+CLACET\n\n PROD( CLCCHO ) = RXRAT( 645 ) ! xCLCCHO+NO=CLCCHO+NO\n & + RXRAT( 647 ) ! xCLCCHO+NO3=CLCCHO+NO3\n & + 5.0000D-01 * RXRAT( 648 ) ! xCLCCHO+MEO2=0.5000D+...\n & + 5.0000D-01 * RXRAT( 649 ) ! xCLCCHO+RO2C=0.5000D+...\n & + 5.0000D-01 * RXRAT( 650 ) ! xCLCCHO+RO2XC=0.5000D+...\n & + RXRAT( 651 ) ! xCLCCHO+MECO3=CLCCHO+MECO3\n & + RXRAT( 652 ) ! xCLCCHO+RCO3=CLCCHO+RCO3\n & + RXRAT( 653 ) ! xCLCCHO+BZCO3=CLCCHO+BZCO3\n & + RXRAT( 654 ) ! xCLCCHO+MACO3=CLCCHO+MACO3\n LOSS( CLCCHO ) = RXRAT( 631 ) ! CLCCHO=HO2+CO+RO2C+xCL+...\n & + RXRAT( 632 ) ! CLCCHO+OH=RCO3\n & + RXRAT( 633 ) ! CLCCHO+CL=HCL+RCO3\n\n PROD( CLACET ) = RXRAT( 655 ) ! xCLACET+NO=CLACET+NO\n & + RXRAT( 657 ) ! xCLACET+NO3=CLACET+NO3\n & + 5.0000D-01 * RXRAT( 658 ) ! xCLACET+MEO2=0.5000D+...\n & + 5.0000D-01 * RXRAT( 659 ) ! xCLACET+RO2C=0.5000D+...\n & + 5.0000D-01 * RXRAT( 660 ) ! xCLACET+RO2XC=0.5000D+...\n & + RXRAT( 661 ) ! xCLACET+MECO3=CLACET+MECO3\n & + RXRAT( 662 ) ! xCLACET+RCO3=CLACET+RCO3\n & + RXRAT( 663 ) ! xCLACET+BZCO3=CLACET+BZCO3\n & + RXRAT( 664 ) ! xCLACET+MACO3=CLACET+MACO3\n LOSS( CLACET ) = RXRAT( 634 ) ! CLACET=MECO3+RO2C+xCL+...\n\n PROD( CLCHO ) = RXRAT( 666 ) ! ETHENE+CL=CLCHO+0.2000D+...\n LOSS( CLCHO ) = 0.0D0\n\n PROD( BNZNRXN ) = RXRAT( 690 ) ! BENZRO2+NO=BNZNRXN+NO\n LOSS( BNZNRXN ) = 0.0D0\n\n PROD( BNZHRXN ) = RXRAT( 691 ) ! BENZRO2+HO2=BNZHRXN+HO2\n LOSS( BNZHRXN ) = 0.0D0\n\n PROD( XYLNRXN ) = RXRAT( 692 ) ! XYLRO2+NO=XYLNRXN+NO\n LOSS( XYLNRXN ) = 0.0D0\n\n PROD( XYLHRXN ) = RXRAT( 693 ) ! XYLRO2+HO2=XYLHRXN+HO2\n LOSS( XYLHRXN ) = 0.0D0\n\n PROD( TOLNRXN ) = RXRAT( 694 ) ! TOLRO2+NO=TOLNRXN+NO\n LOSS( TOLNRXN ) = 0.0D0\n\n PROD( TOLHRXN ) = RXRAT( 695 ) ! TOLRO2+HO2=TOLHRXN+HO2\n LOSS( TOLHRXN ) = 0.0D0\n\n PROD( PAHNRXN ) = RXRAT( 696 ) ! PAHRO2+NO=PAHNRXN+NO\n LOSS( PAHNRXN ) = 0.0D0\n\n PROD( PAHHRXN ) = RXRAT( 697 ) ! PAHRO2+HO2=PAHHRXN+HO2\n LOSS( PAHHRXN ) = 0.0D0\n\n PROD( HCHO_PRIMARY ) = 0.0D0\n LOSS( HCHO_PRIMARY ) = RXRAT( 698 ) ! HCHO_PRIMARY=\n & + RXRAT( 699 ) ! HCHO_PRIMARY=\n & + RXRAT( 700 ) ! HCHO_PRIMARY+OH=OH\n & + RXRAT( 701 ) ! HCHO_PRIMARY+NO3=NO3\n & + RXRAT( 702 ) ! HCHO_PRIMARY+CL=CL\n\n PROD( CCHO_PRIMARY ) = 0.0D0\n LOSS( CCHO_PRIMARY ) = RXRAT( 703 ) ! CCHO_PRIMARY+OH=OH\n & + RXRAT( 704 ) ! CCHO_PRIMARY=\n & + RXRAT( 705 ) ! CCHO_PRIMARY+NO3=NO3\n & + RXRAT( 706 ) ! CCHO_PRIMARY+CL=CL\n\n PROD( ACRO_PRIMARY ) = 0.0D0\n LOSS( ACRO_PRIMARY ) = RXRAT( 707 ) ! ACRO_PRIMARY+OH=OH\n & + RXRAT( 708 ) ! ACRO_PRIMARY+O3=O3\n & + RXRAT( 709 ) ! ACRO_PRIMARY+NO3=NO3\n & + RXRAT( 710 ) ! ACRO_PRIMARY+O3P=O3P\n & + RXRAT( 711 ) ! ACRO_PRIMARY=\n & + RXRAT( 712 ) ! ACRO_PRIMARY+CL=CL\n\n PROD( H2NO3PIJ ) = RXRAT( 714 ) ! N2O5=H2NO3PIJ+HNO3\n LOSS( H2NO3PIJ ) = RXRAT( 716 ) ! H2NO3PIJ=HNO3\n & + RXRAT( 718 ) ! H2NO3PIJ+ACLI=CLNO2\n & + RXRAT( 719 ) ! H2NO3PIJ+ACLJ=CLNO2\n\n PROD( H2NO3PK ) = RXRAT( 715 ) ! N2O5=H2NO3PK+HNO3\n LOSS( H2NO3PK ) = RXRAT( 717 ) ! H2NO3PK=HNO3\n & + RXRAT( 720 ) ! H2NO3PK+ACLK=CLNO2\n\n PROD( ACLI ) = 0.0D0\n LOSS( ACLI ) = RXRAT( 718 ) ! ACLI+H2NO3PIJ=CLNO2\n\n PROD( ACLJ ) = 0.0D0\n LOSS( ACLJ ) = RXRAT( 719 ) ! ACLJ+H2NO3PIJ=CLNO2\n\n PROD( ACLK ) = 0.0D0\n LOSS( ACLK ) = RXRAT( 720 ) ! ACLK+H2NO3PK=CLNO2\n\n PROD( AXYL1J ) = 0.0D0\n LOSS( AXYL1J ) = RXRAT( 722 ) ! AXYL1J=0.8571D+00*AOLGAJ\n\n PROD( AOLGAJ ) = 8.5710D-01 * RXRAT( 722 ) ! AXYL1J=0.8571D+00*AOLGAJ\n & + 1.1429D+00 * RXRAT( 723 ) ! AXYL2J=0.1143D+01*AOLGAJ\n & + 8.5710D-01 * RXRAT( 724 ) ! ATOL1J=0.8571D+00*AOLGAJ\n & + 1.1429D+00 * RXRAT( 725 ) ! ATOL2J=0.1143D+01*AOLGAJ\n & + 7.1430D-01 * RXRAT( 726 ) ! ABNZ1J=0.7143D+00*AOLGAJ\n & + 7.1430D-01 * RXRAT( 727 ) ! ABNZ2J=0.7143D+00*AOLGAJ\n & + 1.4286D+00 * RXRAT( 733 ) ! APAH1J=0.1429D+01*AOLGAJ\n & + 1.4286D+00 * RXRAT( 734 ) ! APAH2J=0.1429D+01*AOLGAJ\n & + 1.7143D+00 * RXRAT( 735 ) ! AALK1J=0.1714D+01*AOLGAJ\n & + 1.7143D+00 * RXRAT( 736 ) ! AALK2J=0.1714D+01*AOLGAJ\n LOSS( AOLGAJ ) = 0.0D0\n\n PROD( AXYL2J ) = 0.0D0\n LOSS( AXYL2J ) = RXRAT( 723 ) ! AXYL2J=0.1143D+01*AOLGAJ\n\n PROD( ATOL1J ) = 0.0D0\n LOSS( ATOL1J ) = RXRAT( 724 ) ! ATOL1J=0.8571D+00*AOLGAJ\n\n PROD( ATOL2J ) = 0.0D0\n LOSS( ATOL2J ) = RXRAT( 725 ) ! ATOL2J=0.1143D+01*AOLGAJ\n\n PROD( ABNZ1J ) = 0.0D0\n LOSS( ABNZ1J ) = RXRAT( 726 ) ! ABNZ1J=0.7143D+00*AOLGAJ\n\n PROD( ABNZ2J ) = 0.0D0\n LOSS( ABNZ2J ) = RXRAT( 727 ) ! ABNZ2J=0.7143D+00*AOLGAJ\n\n PROD( ATRP1J ) = 0.0D0\n LOSS( ATRP1J ) = RXRAT( 728 ) ! ATRP1J=0.8000D+00*AOLGBJ\n\n PROD( AOLGBJ ) = 8.0000D-01 * RXRAT( 728 ) ! ATRP1J=0.8000D+00*AOLGBJ\n & + 9.0000D-01 * RXRAT( 729 ) ! ATRP2J=0.9000D+00*AOLGBJ\n & + 5.0000D-01 * RXRAT( 730 ) ! AISO1J=0.5000D+00*AOLGBJ\n & + 5.0000D-01 * RXRAT( 731 ) ! AISO2J=0.5000D+00*AOLGBJ\n & + 1.5000D+00 * RXRAT( 732 ) ! ASQTJ=0.1500D+01*AOLGBJ\n LOSS( AOLGBJ ) = 0.0D0\n\n PROD( ATRP2J ) = 0.0D0\n LOSS( ATRP2J ) = RXRAT( 729 ) ! ATRP2J=0.9000D+00*AOLGBJ\n\n PROD( AISO1J ) = 0.0D0\n LOSS( AISO1J ) = RXRAT( 730 ) ! AISO1J=0.5000D+00*AOLGBJ\n\n PROD( AISO2J ) = 0.0D0\n LOSS( AISO2J ) = RXRAT( 731 ) ! AISO2J=0.5000D+00*AOLGBJ\n\n PROD( ASQTJ ) = 0.0D0\n LOSS( ASQTJ ) = RXRAT( 732 ) ! ASQTJ=0.1500D+01*AOLGBJ\n\n PROD( APAH1J ) = 0.0D0\n LOSS( APAH1J ) = RXRAT( 733 ) ! APAH1J=0.1429D+01*AOLGAJ\n\n PROD( APAH2J ) = 0.0D0\n LOSS( APAH2J ) = RXRAT( 734 ) ! APAH2J=0.1429D+01*AOLGAJ\n\n PROD( AALK1J ) = 0.0D0\n LOSS( AALK1J ) = RXRAT( 735 ) ! AALK1J=0.1714D+01*AOLGAJ\n\n PROD( AALK2J ) = 0.0D0\n LOSS( AALK2J ) = RXRAT( 736 ) ! AALK2J=0.1714D+01*AOLGAJ\n\n PROD( APOCI ) = 0.0D0\n LOSS( APOCI ) = 0.0D0\n\n PROD( APNCOMI ) = 1.2500D+00 * RXRAT( 737 ) ! APOCI+OH=0.1250D+...\n LOSS( APNCOMI ) = RXRAT( 738 ) ! APNCOMI+OH=OH\n\n PROD( APOCJ ) = 0.0D0\n LOSS( APOCJ ) = 0.0D0\n\n PROD( APNCOMJ ) = 1.2500D+00 * RXRAT( 739 ) ! APOCJ+OH=0.1250D+...\n LOSS( APNCOMJ ) = RXRAT( 740 ) ! APNCOMJ+OH=OH\n\n PROD( PCVOC ) = 0.0D0\n LOSS( PCVOC ) = RXRAT( 741 ) ! PCVOC+OH=OH+PCSOARXN\n\n PROD( PCSOARXN ) = RXRAT( 741 ) ! PCVOC+OH=PCSOARXN+OH\n LOSS( PCSOARXN ) = 0.0D0\n\n PROD( VLVPO1 ) = 3.0030D-01 * RXRAT( 743 ) ! VSVPO1+OH=0.3003D+...\n & + 3.8560D-01 * RXRAT( 744 ) ! VSVPO2+OH=0.3856D+...\n & + 2.1810D-01 * RXRAT( 745 ) ! VSVPO3+OH=0.2181D+...\n & + 2.4120D-01 * RXRAT( 746 ) ! VIVPO1+OH=0.2412D+...\n LOSS( VLVPO1 ) = 5.1430D-01 * RXRAT( 742 ) ! VLVPO1+OH=0.4857D+...\n\n PROD( VSVPO1 ) = 6.2000D-03 * RXRAT( 742 ) ! VLVPO1+OH=0.6200D-...\n & + 9.5000D-02 * RXRAT( 744 ) ! VSVPO2+OH=0.9500D-...\n & + 3.0630D-01 * RXRAT( 745 ) ! VSVPO3+OH=0.3063D+...\n & + 2.0890D-01 * RXRAT( 746 ) ! VIVPO1+OH=0.2089D+...\n LOSS( VSVPO1 ) = 7.1380D-01 * RXRAT( 743 ) ! VSVPO1+OH=0.2862D+...\n\n PROD( VSVPO2 ) = 2.5000D-03 * RXRAT( 742 ) ! VLVPO1+OH=0.2500D-...\n & + 4.1000D-03 * RXRAT( 743 ) ! VSVPO1+OH=0.4100D-...\n & + 1.5300D-02 * RXRAT( 745 ) ! VSVPO3+OH=0.1530D-...\n & + 3.0000D-01 * RXRAT( 746 ) ! VIVPO1+OH=0.3000D+...\n LOSS( VSVPO2 ) = 8.6270D-01 * RXRAT( 744 ) ! VSVPO2+OH=0.1373D+...\n\n PROD( VSVPO3 ) = 2.6000D-03 * RXRAT( 742 ) ! VLVPO1+OH=0.2600D-...\n & + 3.5000D-03 * RXRAT( 743 ) ! VSVPO1+OH=0.3500D-...\n & + 5.0000D-04 * RXRAT( 744 ) ! VSVPO2+OH=0.5000D-...\n LOSS( VSVPO3 ) = 8.9570D-01 * RXRAT( 745 ) ! VSVPO3+OH=0.1043D+...\n\n PROD( VIVPO1 ) = 2.3000D-03 * RXRAT( 742 ) ! VLVPO1+OH=0.2300D-...\n LOSS( VIVPO1 ) = RXRAT( 746 ) ! VIVPO1+OH=OH+0.2412D+...\n\n PROD( VLVOO1 ) = 2.9440D-01 * RXRAT( 742 ) ! VLVPO1+OH=0.2944D+...\n & + 2.2390D-01 * RXRAT( 743 ) ! VSVPO1+OH=0.2239D+...\n & + 2.0510D-01 * RXRAT( 744 ) ! VSVPO2+OH=0.2051D+...\n & + 1.8930D-01 * RXRAT( 745 ) ! VSVPO3+OH=0.1893D+...\n & + 2.0280D-01 * RXRAT( 746 ) ! VIVPO1+OH=0.2028D+...\n & + 2.8580D-01 * RXRAT( 748 ) ! VLVOO2+OH=0.2858D+...\n & + 3.3030D-01 * RXRAT( 749 ) ! VSVOO1+OH=0.3303D+...\n & + 3.4440D-01 * RXRAT( 750 ) ! VSVOO2+OH=0.3444D+...\n & + 3.8860D-01 * RXRAT( 751 ) ! VSVOO3+OH=0.3886D+...\n LOSS( VLVOO1 ) = 3.3360D-01 * RXRAT( 747 ) ! VLVOO1+OH=0.6664D+...\n\n PROD( VLVOO2 ) = 2.0210D-01 * RXRAT( 742 ) ! VLVPO1+OH=0.2021D+...\n & + 1.8200D-01 * RXRAT( 743 ) ! VSVPO1+OH=0.1820D+...\n & + 1.7640D-01 * RXRAT( 744 ) ! VSVPO2+OH=0.1764D+...\n & + 1.6680D-01 * RXRAT( 745 ) ! VSVPO3+OH=0.1668D+...\n & + 4.7100D-02 * RXRAT( 746 ) ! VIVPO1+OH=0.4710D-...\n & + 1.4300D-02 * RXRAT( 747 ) ! VLVOO1+OH=0.1430D-...\n & + 2.2720D-01 * RXRAT( 749 ) ! VSVOO1+OH=0.2272D+...\n & + 2.7490D-01 * RXRAT( 750 ) ! VSVOO2+OH=0.2749D+...\n & + 2.4210D-01 * RXRAT( 751 ) ! VSVOO3+OH=0.2421D+...\n LOSS( VLVOO2 ) = 6.0690D-01 * RXRAT( 748 ) ! VLVOO2+OH=0.3931D+...\n\n PROD( VSVOO2 ) = 1.9000D-03 * RXRAT( 742 ) ! VLVPO1+OH=0.1900D-...\n & + 1.2390D-01 * RXRAT( 747 ) ! VLVOO1+OH=0.1239D+...\n & + 1.0270D-01 * RXRAT( 748 ) ! VLVOO2+OH=0.1027D+...\n & + 7.0200D-02 * RXRAT( 749 ) ! VSVOO1+OH=0.7020D-...\n & + 3.8500D-02 * RXRAT( 751 ) ! VSVOO3+OH=0.3850D-...\n LOSS( VSVOO2 ) = 7.4230D-01 * RXRAT( 750 ) ! VSVOO2+OH=0.2577D+...\n\n PROD( VSVOO3 ) = 2.3000D-03 * RXRAT( 742 ) ! VLVPO1+OH=0.2300D-...\n & + 1.8310D-01 * RXRAT( 747 ) ! VLVOO1+OH=0.1831D+...\n & + 2.0450D-01 * RXRAT( 748 ) ! VLVOO2+OH=0.2045D+...\n & + 1.1160D-01 * RXRAT( 749 ) ! VSVOO1+OH=0.1116D+...\n & + 7.3900D-02 * RXRAT( 750 ) ! VSVOO2+OH=0.7390D-...\n LOSS( VSVOO3 ) = 7.3330D-01 * RXRAT( 751 ) ! VSVOO3+OH=0.2667D+...\n\n PROD( VSVOO1 ) = 1.2300D-02 * RXRAT( 747 ) ! VLVOO1+OH=0.1230D-...\n & + 1.3900D-02 * RXRAT( 748 ) ! VLVOO2+OH=0.1390D-...\n & + 4.9100D-02 * RXRAT( 750 ) ! VSVOO2+OH=0.4910D-...\n & + 6.4000D-02 * RXRAT( 751 ) ! VSVOO3+OH=0.6400D-...\n LOSS( VSVOO1 ) = 7.3930D-01 * RXRAT( 749 ) ! VSVOO1+OH=0.2607D+...\n\n PROD( AISO3J ) = RXRAT( 752 ) ! IEPOX=AISO3J\n LOSS( AISO3J ) = 0.0D0\n\n RETURN\n\n END\n" }, { "path": "CCTM/src/gas/ebi_saprc07tc_ae6_aq/hrrates.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE HRRATES\n\nC***********************************************************************\nC\nC FUNCTION: To calculate rates of reactions\nC\nC PRECONDITIONS: For the SAPRC07TC_AE6_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 8, 2022\nC\nC***********************************************************************\n USE HRDATA\n\n IMPLICIT NONE\n\nC.....INCLUDES: NONE\n\n\nC.....ARGUMENTS: NONE\n\n\nC.....PARAMETERS: NONE\n\n\nC.....EXTERNAL FUNCTIONS: NONE\n\n\nC.....SAVED VARIABLES: NONE\n! CHARACTER( 16 ), SAVE :: PNAME = 'HRRATES' ! Program name\n\n\nC.....LOCAL VARIABLES: None\n\nC***********************************************************************\nC..NOTE: RXRAT commented out are not referenced by any routine\n! RXRAT( 1 ) = RKI( 1 ) * YC( NO2 )\n! RXRAT( 2 ) = RKI( 2 ) * YC( O3P )\n! RXRAT( 3 ) = RKI( 3 ) * YC( O3P ) * YC( O3 )\n! RXRAT( 4 ) = RKI( 4 ) * YC( O3P ) * YC( NO )\n! RXRAT( 5 ) = RKI( 5 ) * YC( O3P ) * YC( NO2 )\n RXRAT( 6 ) = RKI( 6 ) * YC( O3P ) * YC( NO2 )\n! RXRAT( 7 ) = RKI( 7 ) * YC( O3 ) * YC( NO )\n RXRAT( 8 ) = RKI( 8 ) * YC( O3 ) * YC( NO2 )\n RXRAT( 9 ) = RKI( 9 ) * YC( NO ) * YC( NO3 )\n! RXRAT( 10 ) = RKI( 10 ) * YC( NO ) * YC( NO )\n! RXRAT( 11 ) = RKI( 11 ) * YC( NO2 ) * YC( NO3 )\n RXRAT( 12 ) = RKI( 12 ) * YC( N2O5 )\n RXRAT( 13 ) = RKI( 13 ) * YC( N2O5 )\n RXRAT( 14 ) = RKI( 14 ) * YC( N2O5 )\n RXRAT( 15 ) = RKI( 15 ) * YC( NO2 ) * YC( NO3 )\n RXRAT( 16 ) = RKI( 16 ) * YC( NO3 )\n RXRAT( 17 ) = RKI( 17 ) * YC( NO3 )\n RXRAT( 18 ) = RKI( 18 ) * YC( O3 )\n RXRAT( 19 ) = RKI( 19 ) * YC( O3 )\n! RXRAT( 20 ) = RKI( 20 ) * YC( O1D )\n! RXRAT( 21 ) = RKI( 21 ) * YC( O1D )\n! RXRAT( 22 ) = RKI( 22 ) * YC( OH ) * YC( NO )\n RXRAT( 23 ) = RKI( 23 ) * YC( HONO )\n RXRAT( 24 ) = RKI( 24 ) * YC( OH ) * YC( HONO )\n RXRAT( 25 ) = RKI( 25 ) * YC( OH ) * YC( NO2 )\n RXRAT( 26 ) = RKI( 26 ) * YC( OH ) * YC( NO3 )\n RXRAT( 27 ) = RKI( 27 ) * YC( OH ) * YC( HNO3 )\n RXRAT( 28 ) = RKI( 28 ) * YC( HNO3 )\n RXRAT( 29 ) = RKI( 29 ) * YC( OH ) * YC( CO )\n! RXRAT( 30 ) = RKI( 30 ) * YC( OH ) * YC( O3 )\n! RXRAT( 31 ) = RKI( 31 ) * YC( HO2 ) * YC( NO )\n! RXRAT( 32 ) = RKI( 32 ) * YC( HO2 ) * YC( NO2 )\n RXRAT( 33 ) = RKI( 33 ) * YC( HNO4 )\n RXRAT( 34 ) = RKI( 34 ) * YC( HNO4 )\n RXRAT( 35 ) = RKI( 35 ) * YC( HNO4 ) * YC( OH )\n! RXRAT( 36 ) = RKI( 36 ) * YC( HO2 ) * YC( O3 )\n RXRAT( 37 ) = RKI( 37 ) * YC( HO2 ) * YC( HO2 )\n RXRAT( 38 ) = RKI( 38 ) * YC( HO2 ) * YC( HO2 )\n RXRAT( 39 ) = RKI( 39 ) * YC( NO3 ) * YC( HO2 )\n RXRAT( 40 ) = RKI( 40 ) * YC( NO3 ) * YC( NO3 )\n RXRAT( 41 ) = RKI( 41 ) * YC( HO2H )\n RXRAT( 42 ) = RKI( 42 ) * YC( HO2H ) * YC( OH )\n! RXRAT( 43 ) = RKI( 43 ) * YC( OH ) * YC( HO2 )\n RXRAT( 44 ) = RKI( 44 ) * YC( OH ) * YC( SO2 )\n! RXRAT( 45 ) = RKI( 45 ) * YC( OH )\n RXRAT( 46 ) = RKI( 46 ) * YC( MEO2 ) * YC( NO )\n RXRAT( 47 ) = RKI( 47 ) * YC( MEO2 ) * YC( HO2 )\n RXRAT( 48 ) = RKI( 48 ) * YC( MEO2 ) * YC( HO2 )\n RXRAT( 49 ) = RKI( 49 ) * YC( MEO2 ) * YC( NO3 )\n RXRAT( 50 ) = RKI( 50 ) * YC( MEO2 ) * YC( MEO2 )\n RXRAT( 51 ) = RKI( 51 ) * YC( MEO2 ) * YC( MEO2 )\n RXRAT( 52 ) = RKI( 52 ) * YC( RO2C ) * YC( NO )\n RXRAT( 53 ) = RKI( 53 ) * YC( RO2C ) * YC( HO2 )\n RXRAT( 54 ) = RKI( 54 ) * YC( RO2C ) * YC( NO3 )\n RXRAT( 55 ) = RKI( 55 ) * YC( RO2C ) * YC( MEO2 )\n RXRAT( 56 ) = RKI( 56 ) * YC( RO2C ) * YC( RO2C )\n RXRAT( 57 ) = RKI( 57 ) * YC( RO2XC ) * YC( NO )\n RXRAT( 58 ) = RKI( 58 ) * YC( RO2XC ) * YC( HO2 )\n RXRAT( 59 ) = RKI( 59 ) * YC( RO2XC ) * YC( NO3 )\n RXRAT( 60 ) = RKI( 60 ) * YC( RO2XC ) * YC( MEO2 )\n RXRAT( 61 ) = RKI( 61 ) * YC( RO2XC ) * YC( RO2C )\n RXRAT( 62 ) = RKI( 62 ) * YC( RO2XC ) * YC( RO2XC )\n! RXRAT( 63 ) = RKI( 63 ) * YC( MECO3 ) * YC( NO2 )\n RXRAT( 64 ) = RKI( 64 ) * YC( PAN )\n RXRAT( 65 ) = RKI( 65 ) * YC( PAN )\n RXRAT( 66 ) = RKI( 66 ) * YC( MECO3 ) * YC( NO )\n RXRAT( 67 ) = RKI( 67 ) * YC( MECO3 ) * YC( HO2 )\n RXRAT( 68 ) = RKI( 68 ) * YC( MECO3 ) * YC( NO3 )\n RXRAT( 69 ) = RKI( 69 ) * YC( MECO3 ) * YC( MEO2 )\n RXRAT( 70 ) = RKI( 70 ) * YC( MECO3 ) * YC( RO2C )\n RXRAT( 71 ) = RKI( 71 ) * YC( MECO3 ) * YC( RO2XC )\n RXRAT( 72 ) = RKI( 72 ) * YC( MECO3 ) * YC( MECO3 )\n RXRAT( 73 ) = RKI( 73 ) * YC( RCO3 ) * YC( NO2 )\n RXRAT( 74 ) = RKI( 74 ) * YC( PAN2 )\n RXRAT( 75 ) = RKI( 75 ) * YC( PAN2 )\n RXRAT( 76 ) = RKI( 76 ) * YC( RCO3 ) * YC( NO )\n RXRAT( 77 ) = RKI( 77 ) * YC( RCO3 ) * YC( HO2 )\n RXRAT( 78 ) = RKI( 78 ) * YC( RCO3 ) * YC( NO3 )\n RXRAT( 79 ) = RKI( 79 ) * YC( RCO3 ) * YC( MEO2 )\n RXRAT( 80 ) = RKI( 80 ) * YC( RCO3 ) * YC( RO2C )\n RXRAT( 81 ) = RKI( 81 ) * YC( RCO3 ) * YC( RO2XC )\n RXRAT( 82 ) = RKI( 82 ) * YC( RCO3 ) * YC( MECO3 )\n RXRAT( 83 ) = RKI( 83 ) * YC( RCO3 ) * YC( RCO3 )\n RXRAT( 84 ) = RKI( 84 ) * YC( BZCO3 ) * YC( NO2 )\n RXRAT( 85 ) = RKI( 85 ) * YC( PBZN )\n RXRAT( 86 ) = RKI( 86 ) * YC( PBZN )\n RXRAT( 87 ) = RKI( 87 ) * YC( BZCO3 ) * YC( NO )\n RXRAT( 88 ) = RKI( 88 ) * YC( BZCO3 ) * YC( HO2 )\n RXRAT( 89 ) = RKI( 89 ) * YC( BZCO3 ) * YC( NO3 )\n RXRAT( 90 ) = RKI( 90 ) * YC( BZCO3 ) * YC( MEO2 )\n RXRAT( 91 ) = RKI( 91 ) * YC( BZCO3 ) * YC( RO2C )\n RXRAT( 92 ) = RKI( 92 ) * YC( BZCO3 ) * YC( RO2XC )\n RXRAT( 93 ) = RKI( 93 ) * YC( BZCO3 ) * YC( MECO3 )\n RXRAT( 94 ) = RKI( 94 ) * YC( BZCO3 ) * YC( RCO3 )\n RXRAT( 95 ) = RKI( 95 ) * YC( BZCO3 ) * YC( BZCO3 )\n RXRAT( 96 ) = RKI( 96 ) * YC( MACO3 ) * YC( NO2 )\n RXRAT( 97 ) = RKI( 97 ) * YC( MAPAN )\n RXRAT( 98 ) = RKI( 98 ) * YC( MAPAN )\n RXRAT( 99 ) = RKI( 99 ) * YC( MACO3 ) * YC( NO )\n RXRAT( 100 ) = RKI( 100 ) * YC( MACO3 ) * YC( HO2 )\n RXRAT( 101 ) = RKI( 101 ) * YC( MACO3 ) * YC( NO3 )\n RXRAT( 102 ) = RKI( 102 ) * YC( MACO3 ) * YC( MEO2 )\n RXRAT( 103 ) = RKI( 103 ) * YC( MACO3 ) * YC( RO2C )\n RXRAT( 104 ) = RKI( 104 ) * YC( MACO3 ) * YC( RO2XC )\n RXRAT( 105 ) = RKI( 105 ) * YC( MACO3 ) * YC( MECO3 )\n RXRAT( 106 ) = RKI( 106 ) * YC( MACO3 ) * YC( RCO3 )\n RXRAT( 107 ) = RKI( 107 ) * YC( MACO3 ) * YC( BZCO3 )\n RXRAT( 108 ) = RKI( 108 ) * YC( MACO3 ) * YC( MACO3 )\n RXRAT( 109 ) = RKI( 109 ) * YC( TBUO ) * YC( NO2 )\n RXRAT( 110 ) = RKI( 110 ) * YC( TBUO )\n RXRAT( 111 ) = RKI( 111 ) * YC( BZO ) * YC( NO2 )\n RXRAT( 112 ) = RKI( 112 ) * YC( BZO ) * YC( HO2 )\n RXRAT( 113 ) = RKI( 113 ) * YC( BZO )\n RXRAT( 114 ) = RKI( 114 ) * YC( xHO2 ) * YC( NO )\n RXRAT( 115 ) = RKI( 115 ) * YC( xHO2 ) * YC( HO2 )\n RXRAT( 116 ) = RKI( 116 ) * YC( xHO2 ) * YC( NO3 )\n RXRAT( 117 ) = RKI( 117 ) * YC( xHO2 ) * YC( MEO2 )\n RXRAT( 118 ) = RKI( 118 ) * YC( xHO2 ) * YC( RO2C )\n RXRAT( 119 ) = RKI( 119 ) * YC( xHO2 ) * YC( RO2XC )\n RXRAT( 120 ) = RKI( 120 ) * YC( xHO2 ) * YC( MECO3 )\n RXRAT( 121 ) = RKI( 121 ) * YC( xHO2 ) * YC( RCO3 )\n RXRAT( 122 ) = RKI( 122 ) * YC( xHO2 ) * YC( BZCO3 )\n RXRAT( 123 ) = RKI( 123 ) * YC( xHO2 ) * YC( MACO3 )\n RXRAT( 124 ) = RKI( 124 ) * YC( xOH ) * YC( NO )\n RXRAT( 125 ) = RKI( 125 ) * YC( xOH ) * YC( HO2 )\n RXRAT( 126 ) = RKI( 126 ) * YC( xOH ) * YC( NO3 )\n RXRAT( 127 ) = RKI( 127 ) * YC( xOH ) * YC( MEO2 )\n RXRAT( 128 ) = RKI( 128 ) * YC( xOH ) * YC( RO2C )\n RXRAT( 129 ) = RKI( 129 ) * YC( xOH ) * YC( RO2XC )\n RXRAT( 130 ) = RKI( 130 ) * YC( xOH ) * YC( MECO3 )\n RXRAT( 131 ) = RKI( 131 ) * YC( xOH ) * YC( RCO3 )\n RXRAT( 132 ) = RKI( 132 ) * YC( xOH ) * YC( BZCO3 )\n RXRAT( 133 ) = RKI( 133 ) * YC( xOH ) * YC( MACO3 )\n RXRAT( 134 ) = RKI( 134 ) * YC( xNO2 ) * YC( NO )\n RXRAT( 135 ) = RKI( 135 ) * YC( xNO2 ) * YC( HO2 )\n RXRAT( 136 ) = RKI( 136 ) * YC( xNO2 ) * YC( NO3 )\n RXRAT( 137 ) = RKI( 137 ) * YC( xNO2 ) * YC( MEO2 )\n RXRAT( 138 ) = RKI( 138 ) * YC( xNO2 ) * YC( RO2C )\n RXRAT( 139 ) = RKI( 139 ) * YC( xNO2 ) * YC( RO2XC )\n RXRAT( 140 ) = RKI( 140 ) * YC( xNO2 ) * YC( MECO3 )\n RXRAT( 141 ) = RKI( 141 ) * YC( xNO2 ) * YC( RCO3 )\n RXRAT( 142 ) = RKI( 142 ) * YC( xNO2 ) * YC( BZCO3 )\n RXRAT( 143 ) = RKI( 143 ) * YC( xNO2 ) * YC( MACO3 )\n RXRAT( 144 ) = RKI( 144 ) * YC( xMEO2 ) * YC( NO )\n RXRAT( 145 ) = RKI( 145 ) * YC( xMEO2 ) * YC( HO2 )\n RXRAT( 146 ) = RKI( 146 ) * YC( xMEO2 ) * YC( NO3 )\n RXRAT( 147 ) = RKI( 147 ) * YC( xMEO2 ) * YC( MEO2 )\n RXRAT( 148 ) = RKI( 148 ) * YC( xMEO2 ) * YC( RO2C )\n RXRAT( 149 ) = RKI( 149 ) * YC( xMEO2 ) * YC( RO2XC )\n RXRAT( 150 ) = RKI( 150 ) * YC( xMEO2 ) * YC( MECO3 )\n RXRAT( 151 ) = RKI( 151 ) * YC( xMEO2 ) * YC( RCO3 )\n RXRAT( 152 ) = RKI( 152 ) * YC( xMEO2 ) * YC( BZCO3 )\n RXRAT( 153 ) = RKI( 153 ) * YC( xMEO2 ) * YC( MACO3 )\n RXRAT( 154 ) = RKI( 154 ) * YC( xMECO3 ) * YC( NO )\n RXRAT( 155 ) = RKI( 155 ) * YC( xMECO3 ) * YC( HO2 )\n RXRAT( 156 ) = RKI( 156 ) * YC( xMECO3 ) * YC( NO3 )\n RXRAT( 157 ) = RKI( 157 ) * YC( xMECO3 ) * YC( MEO2 )\n RXRAT( 158 ) = RKI( 158 ) * YC( xMECO3 ) * YC( RO2C )\n RXRAT( 159 ) = RKI( 159 ) * YC( xMECO3 ) * YC( RO2XC )\n RXRAT( 160 ) = RKI( 160 ) * YC( xMECO3 ) * YC( MECO3 )\n RXRAT( 161 ) = RKI( 161 ) * YC( xMECO3 ) * YC( RCO3 )\n RXRAT( 162 ) = RKI( 162 ) * YC( xMECO3 ) * YC( BZCO3 )\n RXRAT( 163 ) = RKI( 163 ) * YC( xMECO3 ) * YC( MACO3 )\n RXRAT( 164 ) = RKI( 164 ) * YC( xRCO3 ) * YC( NO )\n RXRAT( 165 ) = RKI( 165 ) * YC( xRCO3 ) * YC( HO2 )\n RXRAT( 166 ) = RKI( 166 ) * YC( xRCO3 ) * YC( NO3 )\n RXRAT( 167 ) = RKI( 167 ) * YC( xRCO3 ) * YC( MEO2 )\n RXRAT( 168 ) = RKI( 168 ) * YC( xRCO3 ) * YC( RO2C )\n RXRAT( 169 ) = RKI( 169 ) * YC( xRCO3 ) * YC( RO2XC )\n RXRAT( 170 ) = RKI( 170 ) * YC( xRCO3 ) * YC( MECO3 )\n RXRAT( 171 ) = RKI( 171 ) * YC( xRCO3 ) * YC( RCO3 )\n RXRAT( 172 ) = RKI( 172 ) * YC( xRCO3 ) * YC( BZCO3 )\n RXRAT( 173 ) = RKI( 173 ) * YC( xRCO3 ) * YC( MACO3 )\n RXRAT( 174 ) = RKI( 174 ) * YC( xMACO3 ) * YC( NO )\n RXRAT( 175 ) = RKI( 175 ) * YC( xMACO3 ) * YC( HO2 )\n RXRAT( 176 ) = RKI( 176 ) * YC( xMACO3 ) * YC( NO3 )\n RXRAT( 177 ) = RKI( 177 ) * YC( xMACO3 ) * YC( MEO2 )\n RXRAT( 178 ) = RKI( 178 ) * YC( xMACO3 ) * YC( RO2C )\n RXRAT( 179 ) = RKI( 179 ) * YC( xMACO3 ) * YC( RO2XC )\n RXRAT( 180 ) = RKI( 180 ) * YC( xMACO3 ) * YC( MECO3 )\n RXRAT( 181 ) = RKI( 181 ) * YC( xMACO3 ) * YC( RCO3 )\n RXRAT( 182 ) = RKI( 182 ) * YC( xMACO3 ) * YC( BZCO3 )\n RXRAT( 183 ) = RKI( 183 ) * YC( xMACO3 ) * YC( MACO3 )\n RXRAT( 184 ) = RKI( 184 ) * YC( xTBUO ) * YC( NO )\n RXRAT( 185 ) = RKI( 185 ) * YC( xTBUO ) * YC( HO2 )\n RXRAT( 186 ) = RKI( 186 ) * YC( xTBUO ) * YC( NO3 )\n RXRAT( 187 ) = RKI( 187 ) * YC( xTBUO ) * YC( MEO2 )\n RXRAT( 188 ) = RKI( 188 ) * YC( xTBUO ) * YC( RO2C )\n RXRAT( 189 ) = RKI( 189 ) * YC( xTBUO ) * YC( RO2XC )\n RXRAT( 190 ) = RKI( 190 ) * YC( xTBUO ) * YC( MECO3 )\n RXRAT( 191 ) = RKI( 191 ) * YC( xTBUO ) * YC( RCO3 )\n RXRAT( 192 ) = RKI( 192 ) * YC( xTBUO ) * YC( BZCO3 )\n RXRAT( 193 ) = RKI( 193 ) * YC( xTBUO ) * YC( MACO3 )\n RXRAT( 194 ) = RKI( 194 ) * YC( xCO ) * YC( NO )\n RXRAT( 195 ) = RKI( 195 ) * YC( xCO ) * YC( HO2 )\n RXRAT( 196 ) = RKI( 196 ) * YC( xCO ) * YC( NO3 )\n RXRAT( 197 ) = RKI( 197 ) * YC( xCO ) * YC( MEO2 )\n RXRAT( 198 ) = RKI( 198 ) * YC( xCO ) * YC( RO2C )\n RXRAT( 199 ) = RKI( 199 ) * YC( xCO ) * YC( RO2XC )\n RXRAT( 200 ) = RKI( 200 ) * YC( xCO ) * YC( MECO3 )\n RXRAT( 201 ) = RKI( 201 ) * YC( xCO ) * YC( RCO3 )\n RXRAT( 202 ) = RKI( 202 ) * YC( xCO ) * YC( BZCO3 )\n RXRAT( 203 ) = RKI( 203 ) * YC( xCO ) * YC( MACO3 )\n RXRAT( 204 ) = RKI( 204 ) * YC( HCHO )\n RXRAT( 205 ) = RKI( 205 ) * YC( HCHO )\n RXRAT( 206 ) = RKI( 206 ) * YC( HCHO ) * YC( OH )\n RXRAT( 207 ) = RKI( 207 ) * YC( HCHO ) * YC( NO3 )\n RXRAT( 208 ) = RKI( 208 ) * YC( CCHO ) * YC( OH )\n RXRAT( 209 ) = RKI( 209 ) * YC( CCHO )\n RXRAT( 210 ) = RKI( 210 ) * YC( CCHO ) * YC( NO3 )\n RXRAT( 211 ) = RKI( 211 ) * YC( RCHO ) * YC( OH )\n RXRAT( 212 ) = RKI( 212 ) * YC( RCHO )\n RXRAT( 213 ) = RKI( 213 ) * YC( RCHO ) * YC( NO3 )\n RXRAT( 214 ) = RKI( 214 ) * YC( ACETONE ) * YC( OH )\n RXRAT( 215 ) = RKI( 215 ) * YC( ACETONE )\n RXRAT( 216 ) = RKI( 216 ) * YC( MEK ) * YC( OH )\n RXRAT( 217 ) = RKI( 217 ) * YC( MEK )\n RXRAT( 218 ) = RKI( 218 ) * YC( MEOH ) * YC( OH )\n RXRAT( 219 ) = RKI( 219 ) * YC( HCOOH ) * YC( OH )\n RXRAT( 220 ) = RKI( 220 ) * YC( CCOOH ) * YC( OH )\n RXRAT( 221 ) = RKI( 221 ) * YC( RCOOH ) * YC( OH )\n RXRAT( 222 ) = RKI( 222 ) * YC( COOH ) * YC( OH )\n RXRAT( 223 ) = RKI( 223 ) * YC( COOH )\n RXRAT( 224 ) = RKI( 224 ) * YC( ROOH ) * YC( OH )\n RXRAT( 225 ) = RKI( 225 ) * YC( ROOH )\n RXRAT( 226 ) = RKI( 226 ) * YC( R6OOH ) * YC( OH )\n RXRAT( 227 ) = RKI( 227 ) * YC( R6OOH )\n RXRAT( 228 ) = RKI( 228 ) * YC( RAOOH ) * YC( OH )\n RXRAT( 229 ) = RKI( 229 ) * YC( RAOOH )\n RXRAT( 230 ) = RKI( 230 ) * YC( GLY )\n RXRAT( 231 ) = RKI( 231 ) * YC( GLY )\n RXRAT( 232 ) = RKI( 232 ) * YC( GLY ) * YC( OH )\n RXRAT( 233 ) = RKI( 233 ) * YC( GLY ) * YC( NO3 )\n RXRAT( 234 ) = RKI( 234 ) * YC( MGLY )\n RXRAT( 235 ) = RKI( 235 ) * YC( MGLY ) * YC( OH )\n RXRAT( 236 ) = RKI( 236 ) * YC( MGLY ) * YC( NO3 )\n RXRAT( 237 ) = RKI( 237 ) * YC( BACL )\n RXRAT( 238 ) = RKI( 238 ) * YC( CRES ) * YC( OH )\n RXRAT( 239 ) = RKI( 239 ) * YC( CRES ) * YC( NO3 )\n RXRAT( 240 ) = RKI( 240 ) * YC( NPHE ) * YC( OH )\n RXRAT( 241 ) = RKI( 241 ) * YC( NPHE )\n RXRAT( 242 ) = RKI( 242 ) * YC( NPHE )\n RXRAT( 243 ) = RKI( 243 ) * YC( BALD ) * YC( OH )\n RXRAT( 244 ) = RKI( 244 ) * YC( BALD )\n RXRAT( 245 ) = RKI( 245 ) * YC( BALD ) * YC( NO3 )\n RXRAT( 246 ) = RKI( 246 ) * YC( AFG1 ) * YC( OH )\n RXRAT( 247 ) = RKI( 247 ) * YC( AFG1 ) * YC( O3 )\n RXRAT( 248 ) = RKI( 248 ) * YC( AFG1 )\n RXRAT( 249 ) = RKI( 249 ) * YC( AFG2 ) * YC( OH )\n RXRAT( 250 ) = RKI( 250 ) * YC( AFG2 ) * YC( O3 )\n RXRAT( 251 ) = RKI( 251 ) * YC( AFG2 )\n RXRAT( 252 ) = RKI( 252 ) * YC( AFG3 ) * YC( OH )\n RXRAT( 253 ) = RKI( 253 ) * YC( AFG3 ) * YC( O3 )\n RXRAT( 254 ) = RKI( 254 ) * YC( MACR ) * YC( OH )\n RXRAT( 255 ) = RKI( 255 ) * YC( MACR ) * YC( O3 )\n RXRAT( 256 ) = RKI( 256 ) * YC( MACR ) * YC( NO3 )\n RXRAT( 257 ) = RKI( 257 ) * YC( MACR ) * YC( O3P )\n RXRAT( 258 ) = RKI( 258 ) * YC( MACR )\n RXRAT( 259 ) = RKI( 259 ) * YC( MVK ) * YC( OH )\n RXRAT( 260 ) = RKI( 260 ) * YC( MVK ) * YC( O3 )\n RXRAT( 261 ) = RKI( 261 ) * YC( MVK ) * YC( O3P )\n RXRAT( 262 ) = RKI( 262 ) * YC( MVK )\n RXRAT( 263 ) = RKI( 263 ) * YC( IPRD ) * YC( OH )\n RXRAT( 264 ) = RKI( 264 ) * YC( IPRD ) * YC( O3 )\n RXRAT( 265 ) = RKI( 265 ) * YC( IPRD ) * YC( NO3 )\n RXRAT( 266 ) = RKI( 266 ) * YC( IPRD )\n RXRAT( 267 ) = RKI( 267 ) * YC( PRD2 ) * YC( OH )\n RXRAT( 268 ) = RKI( 268 ) * YC( PRD2 )\n RXRAT( 269 ) = RKI( 269 ) * YC( RNO3 ) * YC( OH )\n RXRAT( 270 ) = RKI( 270 ) * YC( RNO3 )\n RXRAT( 271 ) = RKI( 271 ) * YC( HOCCHO ) * YC( OH )\n RXRAT( 272 ) = RKI( 272 ) * YC( HOCCHO )\n RXRAT( 273 ) = RKI( 273 ) * YC( HOCCHO ) * YC( NO3 )\n RXRAT( 274 ) = RKI( 274 ) * YC( ACROLEIN ) * YC( OH )\n RXRAT( 275 ) = RKI( 275 ) * YC( ACROLEIN ) * YC( O3 )\n RXRAT( 276 ) = RKI( 276 ) * YC( ACROLEIN ) * YC( NO3 )\n RXRAT( 277 ) = RKI( 277 ) * YC( ACROLEIN ) * YC( O3P )\n RXRAT( 278 ) = RKI( 278 ) * YC( ACROLEIN )\n RXRAT( 279 ) = RKI( 279 ) * YC( CCOOOH ) * YC( OH )\n RXRAT( 280 ) = RKI( 280 ) * YC( CCOOOH )\n RXRAT( 281 ) = RKI( 281 ) * YC( RCOOOH ) * YC( OH )\n RXRAT( 282 ) = RKI( 282 ) * YC( RCOOOH )\n RXRAT( 283 ) = RKI( 283 ) * YC( HCOCO3 ) * YC( NO )\n RXRAT( 284 ) = RKI( 284 ) * YC( HCOCO3 ) * YC( NO2 )\n RXRAT( 285 ) = RKI( 285 ) * YC( HCOCO3 ) * YC( HO2 )\n RXRAT( 286 ) = RKI( 286 ) * YC( xHCHO ) * YC( NO )\n RXRAT( 287 ) = RKI( 287 ) * YC( xHCHO ) * YC( HO2 )\n RXRAT( 288 ) = RKI( 288 ) * YC( xHCHO ) * YC( NO3 )\n RXRAT( 289 ) = RKI( 289 ) * YC( xHCHO ) * YC( MEO2 )\n RXRAT( 290 ) = RKI( 290 ) * YC( xHCHO ) * YC( RO2C )\n RXRAT( 291 ) = RKI( 291 ) * YC( xHCHO ) * YC( RO2XC )\n RXRAT( 292 ) = RKI( 292 ) * YC( xHCHO ) * YC( MECO3 )\n RXRAT( 293 ) = RKI( 293 ) * YC( xHCHO ) * YC( RCO3 )\n RXRAT( 294 ) = RKI( 294 ) * YC( xHCHO ) * YC( BZCO3 )\n RXRAT( 295 ) = RKI( 295 ) * YC( xHCHO ) * YC( MACO3 )\n RXRAT( 296 ) = RKI( 296 ) * YC( xCCHO ) * YC( NO )\n RXRAT( 297 ) = RKI( 297 ) * YC( xCCHO ) * YC( HO2 )\n RXRAT( 298 ) = RKI( 298 ) * YC( xCCHO ) * YC( NO3 )\n RXRAT( 299 ) = RKI( 299 ) * YC( xCCHO ) * YC( MEO2 )\n RXRAT( 300 ) = RKI( 300 ) * YC( xCCHO ) * YC( RO2C )\n RXRAT( 301 ) = RKI( 301 ) * YC( xCCHO ) * YC( RO2XC )\n RXRAT( 302 ) = RKI( 302 ) * YC( xCCHO ) * YC( MECO3 )\n RXRAT( 303 ) = RKI( 303 ) * YC( xCCHO ) * YC( RCO3 )\n RXRAT( 304 ) = RKI( 304 ) * YC( xCCHO ) * YC( BZCO3 )\n RXRAT( 305 ) = RKI( 305 ) * YC( xCCHO ) * YC( MACO3 )\n RXRAT( 306 ) = RKI( 306 ) * YC( xRCHO ) * YC( NO )\n RXRAT( 307 ) = RKI( 307 ) * YC( xRCHO ) * YC( HO2 )\n RXRAT( 308 ) = RKI( 308 ) * YC( xRCHO ) * YC( NO3 )\n RXRAT( 309 ) = RKI( 309 ) * YC( xRCHO ) * YC( MEO2 )\n RXRAT( 310 ) = RKI( 310 ) * YC( xRCHO ) * YC( RO2C )\n RXRAT( 311 ) = RKI( 311 ) * YC( xRCHO ) * YC( RO2XC )\n RXRAT( 312 ) = RKI( 312 ) * YC( xRCHO ) * YC( MECO3 )\n RXRAT( 313 ) = RKI( 313 ) * YC( xRCHO ) * YC( RCO3 )\n RXRAT( 314 ) = RKI( 314 ) * YC( xRCHO ) * YC( BZCO3 )\n RXRAT( 315 ) = RKI( 315 ) * YC( xRCHO ) * YC( MACO3 )\n RXRAT( 316 ) = RKI( 316 ) * YC( xACETONE ) * YC( NO )\n RXRAT( 317 ) = RKI( 317 ) * YC( xACETONE ) * YC( HO2 )\n RXRAT( 318 ) = RKI( 318 ) * YC( xACETONE ) * YC( NO3 )\n RXRAT( 319 ) = RKI( 319 ) * YC( xACETONE ) * YC( MEO2 )\n RXRAT( 320 ) = RKI( 320 ) * YC( xACETONE ) * YC( RO2C )\n RXRAT( 321 ) = RKI( 321 ) * YC( xACETONE ) * YC( RO2XC )\n RXRAT( 322 ) = RKI( 322 ) * YC( xACETONE ) * YC( MECO3 )\n RXRAT( 323 ) = RKI( 323 ) * YC( xACETONE ) * YC( RCO3 )\n RXRAT( 324 ) = RKI( 324 ) * YC( xACETONE ) * YC( BZCO3 )\n RXRAT( 325 ) = RKI( 325 ) * YC( xACETONE ) * YC( MACO3 )\n RXRAT( 326 ) = RKI( 326 ) * YC( xMEK ) * YC( NO )\n RXRAT( 327 ) = RKI( 327 ) * YC( xMEK ) * YC( HO2 )\n RXRAT( 328 ) = RKI( 328 ) * YC( xMEK ) * YC( NO3 )\n RXRAT( 329 ) = RKI( 329 ) * YC( xMEK ) * YC( MEO2 )\n RXRAT( 330 ) = RKI( 330 ) * YC( xMEK ) * YC( RO2C )\n RXRAT( 331 ) = RKI( 331 ) * YC( xMEK ) * YC( RO2XC )\n RXRAT( 332 ) = RKI( 332 ) * YC( xMEK ) * YC( MECO3 )\n RXRAT( 333 ) = RKI( 333 ) * YC( xMEK ) * YC( RCO3 )\n RXRAT( 334 ) = RKI( 334 ) * YC( xMEK ) * YC( BZCO3 )\n RXRAT( 335 ) = RKI( 335 ) * YC( xMEK ) * YC( MACO3 )\n RXRAT( 336 ) = RKI( 336 ) * YC( xPROD2 ) * YC( NO )\n RXRAT( 337 ) = RKI( 337 ) * YC( xPROD2 ) * YC( HO2 )\n RXRAT( 338 ) = RKI( 338 ) * YC( xPROD2 ) * YC( NO3 )\n RXRAT( 339 ) = RKI( 339 ) * YC( xPROD2 ) * YC( MEO2 )\n RXRAT( 340 ) = RKI( 340 ) * YC( xPROD2 ) * YC( RO2C )\n RXRAT( 341 ) = RKI( 341 ) * YC( xPROD2 ) * YC( RO2XC )\n RXRAT( 342 ) = RKI( 342 ) * YC( xPROD2 ) * YC( MECO3 )\n RXRAT( 343 ) = RKI( 343 ) * YC( xPROD2 ) * YC( RCO3 )\n RXRAT( 344 ) = RKI( 344 ) * YC( xPROD2 ) * YC( BZCO3 )\n RXRAT( 345 ) = RKI( 345 ) * YC( xPROD2 ) * YC( MACO3 )\n RXRAT( 346 ) = RKI( 346 ) * YC( xGLY ) * YC( NO )\n RXRAT( 347 ) = RKI( 347 ) * YC( xGLY ) * YC( HO2 )\n RXRAT( 348 ) = RKI( 348 ) * YC( xGLY ) * YC( NO3 )\n RXRAT( 349 ) = RKI( 349 ) * YC( xGLY ) * YC( MEO2 )\n RXRAT( 350 ) = RKI( 350 ) * YC( xGLY ) * YC( RO2C )\n RXRAT( 351 ) = RKI( 351 ) * YC( xGLY ) * YC( RO2XC )\n RXRAT( 352 ) = RKI( 352 ) * YC( xGLY ) * YC( MECO3 )\n RXRAT( 353 ) = RKI( 353 ) * YC( xGLY ) * YC( RCO3 )\n RXRAT( 354 ) = RKI( 354 ) * YC( xGLY ) * YC( BZCO3 )\n RXRAT( 355 ) = RKI( 355 ) * YC( xGLY ) * YC( MACO3 )\n RXRAT( 356 ) = RKI( 356 ) * YC( xMGLY ) * YC( NO )\n RXRAT( 357 ) = RKI( 357 ) * YC( xMGLY ) * YC( HO2 )\n RXRAT( 358 ) = RKI( 358 ) * YC( xMGLY ) * YC( NO3 )\n RXRAT( 359 ) = RKI( 359 ) * YC( xMGLY ) * YC( MEO2 )\n RXRAT( 360 ) = RKI( 360 ) * YC( xMGLY ) * YC( RO2C )\n RXRAT( 361 ) = RKI( 361 ) * YC( xMGLY ) * YC( RO2XC )\n RXRAT( 362 ) = RKI( 362 ) * YC( xMGLY ) * YC( MECO3 )\n RXRAT( 363 ) = RKI( 363 ) * YC( xMGLY ) * YC( RCO3 )\n RXRAT( 364 ) = RKI( 364 ) * YC( xMGLY ) * YC( BZCO3 )\n RXRAT( 365 ) = RKI( 365 ) * YC( xMGLY ) * YC( MACO3 )\n RXRAT( 366 ) = RKI( 366 ) * YC( xBACL ) * YC( NO )\n RXRAT( 367 ) = RKI( 367 ) * YC( xBACL ) * YC( HO2 )\n RXRAT( 368 ) = RKI( 368 ) * YC( xBACL ) * YC( NO3 )\n RXRAT( 369 ) = RKI( 369 ) * YC( xBACL ) * YC( MEO2 )\n RXRAT( 370 ) = RKI( 370 ) * YC( xBACL ) * YC( RO2C )\n RXRAT( 371 ) = RKI( 371 ) * YC( xBACL ) * YC( RO2XC )\n RXRAT( 372 ) = RKI( 372 ) * YC( xBACL ) * YC( MECO3 )\n RXRAT( 373 ) = RKI( 373 ) * YC( xBACL ) * YC( RCO3 )\n RXRAT( 374 ) = RKI( 374 ) * YC( xBACL ) * YC( BZCO3 )\n RXRAT( 375 ) = RKI( 375 ) * YC( xBACL ) * YC( MACO3 )\n RXRAT( 376 ) = RKI( 376 ) * YC( xBALD ) * YC( NO )\n RXRAT( 377 ) = RKI( 377 ) * YC( xBALD ) * YC( HO2 )\n RXRAT( 378 ) = RKI( 378 ) * YC( xBALD ) * YC( NO3 )\n RXRAT( 379 ) = RKI( 379 ) * YC( xBALD ) * YC( MEO2 )\n RXRAT( 380 ) = RKI( 380 ) * YC( xBALD ) * YC( RO2C )\n RXRAT( 381 ) = RKI( 381 ) * YC( xBALD ) * YC( RO2XC )\n RXRAT( 382 ) = RKI( 382 ) * YC( xBALD ) * YC( MECO3 )\n RXRAT( 383 ) = RKI( 383 ) * YC( xBALD ) * YC( RCO3 )\n RXRAT( 384 ) = RKI( 384 ) * YC( xBALD ) * YC( BZCO3 )\n RXRAT( 385 ) = RKI( 385 ) * YC( xBALD ) * YC( MACO3 )\n RXRAT( 386 ) = RKI( 386 ) * YC( xAFG1 ) * YC( NO )\n RXRAT( 387 ) = RKI( 387 ) * YC( xAFG1 ) * YC( HO2 )\n RXRAT( 388 ) = RKI( 388 ) * YC( xAFG1 ) * YC( NO3 )\n RXRAT( 389 ) = RKI( 389 ) * YC( xAFG1 ) * YC( MEO2 )\n RXRAT( 390 ) = RKI( 390 ) * YC( xAFG1 ) * YC( RO2C )\n RXRAT( 391 ) = RKI( 391 ) * YC( xAFG1 ) * YC( RO2XC )\n RXRAT( 392 ) = RKI( 392 ) * YC( xAFG1 ) * YC( MECO3 )\n RXRAT( 393 ) = RKI( 393 ) * YC( xAFG1 ) * YC( RCO3 )\n RXRAT( 394 ) = RKI( 394 ) * YC( xAFG1 ) * YC( BZCO3 )\n RXRAT( 395 ) = RKI( 395 ) * YC( xAFG1 ) * YC( MACO3 )\n RXRAT( 396 ) = RKI( 396 ) * YC( xAFG2 ) * YC( NO )\n RXRAT( 397 ) = RKI( 397 ) * YC( xAFG2 ) * YC( HO2 )\n RXRAT( 398 ) = RKI( 398 ) * YC( xAFG2 ) * YC( NO3 )\n RXRAT( 399 ) = RKI( 399 ) * YC( xAFG2 ) * YC( MEO2 )\n RXRAT( 400 ) = RKI( 400 ) * YC( xAFG2 ) * YC( RO2C )\n RXRAT( 401 ) = RKI( 401 ) * YC( xAFG2 ) * YC( RO2XC )\n RXRAT( 402 ) = RKI( 402 ) * YC( xAFG2 ) * YC( MECO3 )\n RXRAT( 403 ) = RKI( 403 ) * YC( xAFG2 ) * YC( RCO3 )\n RXRAT( 404 ) = RKI( 404 ) * YC( xAFG2 ) * YC( BZCO3 )\n RXRAT( 405 ) = RKI( 405 ) * YC( xAFG2 ) * YC( MACO3 )\n RXRAT( 406 ) = RKI( 406 ) * YC( xAFG3 ) * YC( NO )\n RXRAT( 407 ) = RKI( 407 ) * YC( xAFG3 ) * YC( HO2 )\n RXRAT( 408 ) = RKI( 408 ) * YC( xAFG3 ) * YC( NO3 )\n RXRAT( 409 ) = RKI( 409 ) * YC( xAFG3 ) * YC( MEO2 )\n RXRAT( 410 ) = RKI( 410 ) * YC( xAFG3 ) * YC( RO2C )\n RXRAT( 411 ) = RKI( 411 ) * YC( xAFG3 ) * YC( RO2XC )\n RXRAT( 412 ) = RKI( 412 ) * YC( xAFG3 ) * YC( MECO3 )\n RXRAT( 413 ) = RKI( 413 ) * YC( xAFG3 ) * YC( RCO3 )\n RXRAT( 414 ) = RKI( 414 ) * YC( xAFG3 ) * YC( BZCO3 )\n RXRAT( 415 ) = RKI( 415 ) * YC( xAFG3 ) * YC( MACO3 )\n RXRAT( 416 ) = RKI( 416 ) * YC( xMACR ) * YC( NO )\n RXRAT( 417 ) = RKI( 417 ) * YC( xMACR ) * YC( HO2 )\n RXRAT( 418 ) = RKI( 418 ) * YC( xMACR ) * YC( NO3 )\n RXRAT( 419 ) = RKI( 419 ) * YC( xMACR ) * YC( MEO2 )\n RXRAT( 420 ) = RKI( 420 ) * YC( xMACR ) * YC( RO2C )\n RXRAT( 421 ) = RKI( 421 ) * YC( xMACR ) * YC( RO2XC )\n RXRAT( 422 ) = RKI( 422 ) * YC( xMACR ) * YC( MECO3 )\n RXRAT( 423 ) = RKI( 423 ) * YC( xMACR ) * YC( RCO3 )\n RXRAT( 424 ) = RKI( 424 ) * YC( xMACR ) * YC( BZCO3 )\n RXRAT( 425 ) = RKI( 425 ) * YC( xMACR ) * YC( MACO3 )\n RXRAT( 426 ) = RKI( 426 ) * YC( xMVK ) * YC( NO )\n RXRAT( 427 ) = RKI( 427 ) * YC( xMVK ) * YC( HO2 )\n RXRAT( 428 ) = RKI( 428 ) * YC( xMVK ) * YC( NO3 )\n RXRAT( 429 ) = RKI( 429 ) * YC( xMVK ) * YC( MEO2 )\n RXRAT( 430 ) = RKI( 430 ) * YC( xMVK ) * YC( RO2C )\n RXRAT( 431 ) = RKI( 431 ) * YC( xMVK ) * YC( RO2XC )\n RXRAT( 432 ) = RKI( 432 ) * YC( xMVK ) * YC( MECO3 )\n RXRAT( 433 ) = RKI( 433 ) * YC( xMVK ) * YC( RCO3 )\n RXRAT( 434 ) = RKI( 434 ) * YC( xMVK ) * YC( BZCO3 )\n RXRAT( 435 ) = RKI( 435 ) * YC( xMVK ) * YC( MACO3 )\n RXRAT( 436 ) = RKI( 436 ) * YC( xIPRD ) * YC( NO )\n RXRAT( 437 ) = RKI( 437 ) * YC( xIPRD ) * YC( HO2 )\n RXRAT( 438 ) = RKI( 438 ) * YC( xIPRD ) * YC( NO3 )\n RXRAT( 439 ) = RKI( 439 ) * YC( xIPRD ) * YC( MEO2 )\n RXRAT( 440 ) = RKI( 440 ) * YC( xIPRD ) * YC( RO2C )\n RXRAT( 441 ) = RKI( 441 ) * YC( xIPRD ) * YC( RO2XC )\n RXRAT( 442 ) = RKI( 442 ) * YC( xIPRD ) * YC( MECO3 )\n RXRAT( 443 ) = RKI( 443 ) * YC( xIPRD ) * YC( RCO3 )\n RXRAT( 444 ) = RKI( 444 ) * YC( xIPRD ) * YC( BZCO3 )\n RXRAT( 445 ) = RKI( 445 ) * YC( xIPRD ) * YC( MACO3 )\n RXRAT( 446 ) = RKI( 446 ) * YC( xRNO3 ) * YC( NO )\n RXRAT( 447 ) = RKI( 447 ) * YC( xRNO3 ) * YC( HO2 )\n RXRAT( 448 ) = RKI( 448 ) * YC( xRNO3 ) * YC( NO3 )\n RXRAT( 449 ) = RKI( 449 ) * YC( xRNO3 ) * YC( MEO2 )\n RXRAT( 450 ) = RKI( 450 ) * YC( xRNO3 ) * YC( RO2C )\n RXRAT( 451 ) = RKI( 451 ) * YC( xRNO3 ) * YC( RO2XC )\n RXRAT( 452 ) = RKI( 452 ) * YC( xRNO3 ) * YC( MECO3 )\n RXRAT( 453 ) = RKI( 453 ) * YC( xRNO3 ) * YC( RCO3 )\n RXRAT( 454 ) = RKI( 454 ) * YC( xRNO3 ) * YC( BZCO3 )\n RXRAT( 455 ) = RKI( 455 ) * YC( xRNO3 ) * YC( MACO3 )\n RXRAT( 456 ) = RKI( 456 ) * YC( yROOH ) * YC( NO )\n RXRAT( 457 ) = RKI( 457 ) * YC( yROOH ) * YC( HO2 )\n RXRAT( 458 ) = RKI( 458 ) * YC( yROOH ) * YC( NO3 )\n RXRAT( 459 ) = RKI( 459 ) * YC( yROOH ) * YC( MEO2 )\n RXRAT( 460 ) = RKI( 460 ) * YC( yROOH ) * YC( RO2C )\n RXRAT( 461 ) = RKI( 461 ) * YC( yROOH ) * YC( RO2XC )\n RXRAT( 462 ) = RKI( 462 ) * YC( yROOH ) * YC( MECO3 )\n RXRAT( 463 ) = RKI( 463 ) * YC( yROOH ) * YC( RCO3 )\n RXRAT( 464 ) = RKI( 464 ) * YC( yROOH ) * YC( BZCO3 )\n RXRAT( 465 ) = RKI( 465 ) * YC( yROOH ) * YC( MACO3 )\n RXRAT( 466 ) = RKI( 466 ) * YC( yR6OOH ) * YC( NO )\n RXRAT( 467 ) = RKI( 467 ) * YC( yR6OOH ) * YC( HO2 )\n RXRAT( 468 ) = RKI( 468 ) * YC( yR6OOH ) * YC( NO3 )\n RXRAT( 469 ) = RKI( 469 ) * YC( yR6OOH ) * YC( MEO2 )\n RXRAT( 470 ) = RKI( 470 ) * YC( yR6OOH ) * YC( RO2C )\n RXRAT( 471 ) = RKI( 471 ) * YC( yR6OOH ) * YC( RO2XC )\n RXRAT( 472 ) = RKI( 472 ) * YC( yR6OOH ) * YC( MECO3 )\n RXRAT( 473 ) = RKI( 473 ) * YC( yR6OOH ) * YC( RCO3 )\n RXRAT( 474 ) = RKI( 474 ) * YC( yR6OOH ) * YC( BZCO3 )\n RXRAT( 475 ) = RKI( 475 ) * YC( yR6OOH ) * YC( MACO3 )\n RXRAT( 476 ) = RKI( 476 ) * YC( yISOPOOH ) * YC( NO )\n RXRAT( 477 ) = RKI( 477 ) * YC( yISOPOOH ) * YC( HO2 )\n RXRAT( 478 ) = RKI( 478 ) * YC( yISOPOOH ) * YC( NO3 )\n RXRAT( 479 ) = RKI( 479 ) * YC( yISOPOOH ) * YC( MEO2 )\n RXRAT( 480 ) = RKI( 480 ) * YC( yISOPOOH ) * YC( RO2C )\n RXRAT( 481 ) = RKI( 481 ) * YC( yISOPOOH ) * YC( RO2XC )\n RXRAT( 482 ) = RKI( 482 ) * YC( yISOPOOH ) * YC( MECO3 )\n RXRAT( 483 ) = RKI( 483 ) * YC( yISOPOOH ) * YC( RCO3 )\n RXRAT( 484 ) = RKI( 484 ) * YC( yISOPOOH ) * YC( BZCO3 )\n RXRAT( 485 ) = RKI( 485 ) * YC( yISOPOOH ) * YC( MACO3 )\n RXRAT( 486 ) = RKI( 486 ) * YC( yRAOOH ) * YC( NO )\n RXRAT( 487 ) = RKI( 487 ) * YC( yRAOOH ) * YC( HO2 )\n RXRAT( 488 ) = RKI( 488 ) * YC( yRAOOH ) * YC( NO3 )\n RXRAT( 489 ) = RKI( 489 ) * YC( yRAOOH ) * YC( MEO2 )\n RXRAT( 490 ) = RKI( 490 ) * YC( yRAOOH ) * YC( RO2C )\n RXRAT( 491 ) = RKI( 491 ) * YC( yRAOOH ) * YC( RO2XC )\n RXRAT( 492 ) = RKI( 492 ) * YC( yRAOOH ) * YC( MECO3 )\n RXRAT( 493 ) = RKI( 493 ) * YC( yRAOOH ) * YC( RCO3 )\n RXRAT( 494 ) = RKI( 494 ) * YC( yRAOOH ) * YC( BZCO3 )\n RXRAT( 495 ) = RKI( 495 ) * YC( yRAOOH ) * YC( MACO3 )\n RXRAT( 496 ) = RKI( 496 ) * YC( zRNO3 ) * YC( NO )\n RXRAT( 497 ) = RKI( 497 ) * YC( zRNO3 ) * YC( HO2 )\n RXRAT( 498 ) = RKI( 498 ) * YC( zRNO3 ) * YC( NO3 )\n RXRAT( 499 ) = RKI( 499 ) * YC( zRNO3 ) * YC( MEO2 )\n RXRAT( 500 ) = RKI( 500 ) * YC( zRNO3 ) * YC( RO2C )\n RXRAT( 501 ) = RKI( 501 ) * YC( zRNO3 ) * YC( RO2XC )\n RXRAT( 502 ) = RKI( 502 ) * YC( zRNO3 ) * YC( MECO3 )\n RXRAT( 503 ) = RKI( 503 ) * YC( zRNO3 ) * YC( RCO3 )\n RXRAT( 504 ) = RKI( 504 ) * YC( zRNO3 ) * YC( BZCO3 )\n RXRAT( 505 ) = RKI( 505 ) * YC( zRNO3 ) * YC( MACO3 )\n RXRAT( 506 ) = RKI( 506 ) * YC( xHOCCHO ) * YC( NO )\n RXRAT( 507 ) = RKI( 507 ) * YC( xHOCCHO ) * YC( HO2 )\n RXRAT( 508 ) = RKI( 508 ) * YC( xHOCCHO ) * YC( NO3 )\n RXRAT( 509 ) = RKI( 509 ) * YC( xHOCCHO ) * YC( MEO2 )\n RXRAT( 510 ) = RKI( 510 ) * YC( xHOCCHO ) * YC( RO2C )\n RXRAT( 511 ) = RKI( 511 ) * YC( xHOCCHO ) * YC( RO2XC )\n RXRAT( 512 ) = RKI( 512 ) * YC( xHOCCHO ) * YC( MECO3 )\n RXRAT( 513 ) = RKI( 513 ) * YC( xHOCCHO ) * YC( RCO3 )\n RXRAT( 514 ) = RKI( 514 ) * YC( xHOCCHO ) * YC( BZCO3 )\n RXRAT( 515 ) = RKI( 515 ) * YC( xHOCCHO ) * YC( MACO3 )\n RXRAT( 516 ) = RKI( 516 ) * YC( xACROLEIN ) * YC( NO )\n RXRAT( 517 ) = RKI( 517 ) * YC( xACROLEIN ) * YC( HO2 )\n RXRAT( 518 ) = RKI( 518 ) * YC( xACROLEIN ) * YC( NO3 )\n RXRAT( 519 ) = RKI( 519 ) * YC( xACROLEIN ) * YC( MEO2 )\n RXRAT( 520 ) = RKI( 520 ) * YC( xACROLEIN ) * YC( RO2C )\n RXRAT( 521 ) = RKI( 521 ) * YC( xACROLEIN ) * YC( RO2XC )\n RXRAT( 522 ) = RKI( 522 ) * YC( xACROLEIN ) * YC( MECO3 )\n RXRAT( 523 ) = RKI( 523 ) * YC( xACROLEIN ) * YC( RCO3 )\n RXRAT( 524 ) = RKI( 524 ) * YC( xACROLEIN ) * YC( BZCO3 )\n RXRAT( 525 ) = RKI( 525 ) * YC( xACROLEIN ) * YC( MACO3 )\n RXRAT( 526 ) = RKI( 526 ) * YC( OH )\n RXRAT( 527 ) = RKI( 527 ) * YC( ETHENE ) * YC( OH )\n RXRAT( 528 ) = RKI( 528 ) * YC( ETHENE ) * YC( O3 )\n RXRAT( 529 ) = RKI( 529 ) * YC( ETHENE ) * YC( NO3 )\n RXRAT( 530 ) = RKI( 530 ) * YC( ETHENE ) * YC( O3P )\n RXRAT( 531 ) = RKI( 531 ) * YC( PROPENE ) * YC( OH )\n RXRAT( 532 ) = RKI( 532 ) * YC( PROPENE ) * YC( O3 )\n RXRAT( 533 ) = RKI( 533 ) * YC( PROPENE ) * YC( NO3 )\n RXRAT( 534 ) = RKI( 534 ) * YC( PROPENE ) * YC( O3P )\n RXRAT( 535 ) = RKI( 535 ) * YC( BUTADIENE13 ) * YC( OH )\n RXRAT( 536 ) = RKI( 536 ) * YC( BUTADIENE13 ) * YC( O3 )\n RXRAT( 537 ) = RKI( 537 ) * YC( BUTADIENE13 ) * YC( NO3 )\n RXRAT( 538 ) = RKI( 538 ) * YC( BUTADIENE13 ) * YC( O3P )\n RXRAT( 539 ) = RKI( 539 ) * YC( ISOPRENE ) * YC( OH )\n RXRAT( 540 ) = RKI( 540 ) * YC( ISOPRENE ) * YC( O3 )\n RXRAT( 541 ) = RKI( 541 ) * YC( ISOPRENE ) * YC( NO3 )\n RXRAT( 542 ) = RKI( 542 ) * YC( ISOPRENE ) * YC( O3P )\n RXRAT( 543 ) = RKI( 543 ) * YC( ISOPOOH ) * YC( OH )\n RXRAT( 544 ) = RKI( 544 ) * YC( ISOPOOH ) * YC( OH )\n RXRAT( 545 ) = RKI( 545 ) * YC( ISOPOOH )\n RXRAT( 546 ) = RKI( 546 ) * YC( IEPOX ) * YC( OH )\n RXRAT( 547 ) = RKI( 547 ) * YC( IEPOXOO ) * YC( HO2 )\n RXRAT( 548 ) = RKI( 548 ) * YC( IEPOXOO ) * YC( NO )\n RXRAT( 549 ) = RKI( 549 ) * YC( IEPOXOO ) * YC( MEO2 )\n RXRAT( 550 ) = RKI( 550 ) * YC( IEPOXOO ) * YC( RO2C )\n RXRAT( 551 ) = RKI( 551 ) * YC( IEPOXOO ) * YC( MECO3 )\n RXRAT( 552 ) = RKI( 552 ) * YC( APIN ) * YC( OH )\n RXRAT( 553 ) = RKI( 553 ) * YC( APIN ) * YC( O3 )\n RXRAT( 554 ) = RKI( 554 ) * YC( APIN ) * YC( NO3 )\n RXRAT( 555 ) = RKI( 555 ) * YC( APIN ) * YC( O3P )\n RXRAT( 556 ) = RKI( 556 ) * YC( ACETYLENE ) * YC( OH )\n RXRAT( 557 ) = RKI( 557 ) * YC( ACETYLENE ) * YC( O3 )\n RXRAT( 558 ) = RKI( 558 ) * YC( BENZENE ) * YC( OH )\n RXRAT( 559 ) = RKI( 559 ) * YC( TOLUENE ) * YC( OH )\n RXRAT( 560 ) = RKI( 560 ) * YC( MXYL ) * YC( OH )\n RXRAT( 561 ) = RKI( 561 ) * YC( OXYL ) * YC( OH )\n RXRAT( 562 ) = RKI( 562 ) * YC( PXYL ) * YC( OH )\n RXRAT( 563 ) = RKI( 563 ) * YC( TMBENZ124 ) * YC( OH )\n RXRAT( 564 ) = RKI( 564 ) * YC( ETOH ) * YC( OH )\n RXRAT( 565 ) = RKI( 565 ) * YC( ALK1 ) * YC( OH )\n RXRAT( 566 ) = RKI( 566 ) * YC( ALK2 ) * YC( OH )\n RXRAT( 567 ) = RKI( 567 ) * YC( ALK3 ) * YC( OH )\n RXRAT( 568 ) = RKI( 568 ) * YC( ALK4 ) * YC( OH )\n RXRAT( 569 ) = RKI( 569 ) * YC( ALK5 ) * YC( OH )\n RXRAT( 570 ) = RKI( 570 ) * YC( SOAALK ) * YC( OH )\n RXRAT( 571 ) = RKI( 571 ) * YC( OLE1 ) * YC( OH )\n RXRAT( 572 ) = RKI( 572 ) * YC( OLE1 ) * YC( O3 )\n RXRAT( 573 ) = RKI( 573 ) * YC( OLE1 ) * YC( NO3 )\n RXRAT( 574 ) = RKI( 574 ) * YC( OLE1 ) * YC( O3P )\n RXRAT( 575 ) = RKI( 575 ) * YC( OLE2 ) * YC( OH )\n RXRAT( 576 ) = RKI( 576 ) * YC( OLE2 ) * YC( O3 )\n RXRAT( 577 ) = RKI( 577 ) * YC( OLE2 ) * YC( NO3 )\n RXRAT( 578 ) = RKI( 578 ) * YC( OLE2 ) * YC( O3P )\n RXRAT( 579 ) = RKI( 579 ) * YC( ARO1 ) * YC( OH )\n RXRAT( 580 ) = RKI( 580 ) * YC( ARO2MN ) * YC( OH )\n RXRAT( 581 ) = RKI( 581 ) * YC( NAPHTHAL ) * YC( OH )\n RXRAT( 582 ) = RKI( 582 ) * YC( TERP ) * YC( OH )\n RXRAT( 583 ) = RKI( 583 ) * YC( TERP ) * YC( O3 )\n RXRAT( 584 ) = RKI( 584 ) * YC( TERP ) * YC( NO3 )\n RXRAT( 585 ) = RKI( 585 ) * YC( TERP ) * YC( O3P )\n RXRAT( 586 ) = RKI( 586 ) * YC( SESQ ) * YC( OH )\n RXRAT( 587 ) = RKI( 587 ) * YC( SESQ ) * YC( O3 )\n RXRAT( 588 ) = RKI( 588 ) * YC( SESQ ) * YC( NO3 )\n RXRAT( 589 ) = RKI( 589 ) * YC( SESQ ) * YC( O3P )\n RXRAT( 590 ) = RKI( 590 ) * YC( CL2 )\n RXRAT( 591 ) = RKI( 591 ) * YC( CL ) * YC( NO )\n RXRAT( 592 ) = RKI( 592 ) * YC( CLNO )\n RXRAT( 593 ) = RKI( 593 ) * YC( CL ) * YC( NO2 )\n RXRAT( 594 ) = RKI( 594 ) * YC( CL ) * YC( NO2 )\n RXRAT( 595 ) = RKI( 595 ) * YC( CLONO )\n RXRAT( 596 ) = RKI( 596 ) * YC( CLNO2 )\n RXRAT( 597 ) = RKI( 597 ) * YC( CL ) * YC( HO2 )\n RXRAT( 598 ) = RKI( 598 ) * YC( CL ) * YC( HO2 )\n RXRAT( 599 ) = RKI( 599 ) * YC( CL ) * YC( O3 )\n RXRAT( 600 ) = RKI( 600 ) * YC( CL ) * YC( NO3 )\n RXRAT( 601 ) = RKI( 601 ) * YC( CLO ) * YC( NO )\n RXRAT( 602 ) = RKI( 602 ) * YC( CLO ) * YC( NO2 )\n RXRAT( 603 ) = RKI( 603 ) * YC( CLONO2 )\n RXRAT( 604 ) = RKI( 604 ) * YC( CLONO2 )\n RXRAT( 605 ) = RKI( 605 ) * YC( CLONO2 )\n RXRAT( 606 ) = RKI( 606 ) * YC( CL ) * YC( CLONO2 )\n RXRAT( 607 ) = RKI( 607 ) * YC( CLO ) * YC( HO2 )\n RXRAT( 608 ) = RKI( 608 ) * YC( HOCL )\n RXRAT( 609 ) = RKI( 609 ) * YC( CLO ) * YC( CLO )\n RXRAT( 610 ) = RKI( 610 ) * YC( OH ) * YC( HCL )\n RXRAT( 611 ) = RKI( 611 ) * YC( CL )\n RXRAT( 612 ) = RKI( 612 ) * YC( HCHO ) * YC( CL )\n RXRAT( 613 ) = RKI( 613 ) * YC( CCHO ) * YC( CL )\n RXRAT( 614 ) = RKI( 614 ) * YC( MEOH ) * YC( CL )\n RXRAT( 615 ) = RKI( 615 ) * YC( RCHO ) * YC( CL )\n RXRAT( 616 ) = RKI( 616 ) * YC( ACETONE ) * YC( CL )\n RXRAT( 617 ) = RKI( 617 ) * YC( MEK ) * YC( CL )\n RXRAT( 618 ) = RKI( 618 ) * YC( RNO3 ) * YC( CL )\n RXRAT( 619 ) = RKI( 619 ) * YC( PRD2 ) * YC( CL )\n RXRAT( 620 ) = RKI( 620 ) * YC( GLY ) * YC( CL )\n RXRAT( 621 ) = RKI( 621 ) * YC( MGLY ) * YC( CL )\n RXRAT( 622 ) = RKI( 622 ) * YC( CRES ) * YC( CL )\n RXRAT( 623 ) = RKI( 623 ) * YC( BALD ) * YC( CL )\n RXRAT( 624 ) = RKI( 624 ) * YC( ROOH ) * YC( CL )\n RXRAT( 625 ) = RKI( 625 ) * YC( R6OOH ) * YC( CL )\n RXRAT( 626 ) = RKI( 626 ) * YC( RAOOH ) * YC( CL )\n RXRAT( 627 ) = RKI( 627 ) * YC( ACROLEIN ) * YC( CL )\n RXRAT( 628 ) = RKI( 628 ) * YC( MACR ) * YC( CL )\n RXRAT( 629 ) = RKI( 629 ) * YC( MVK ) * YC( CL )\n RXRAT( 630 ) = RKI( 630 ) * YC( IPRD ) * YC( CL )\n RXRAT( 631 ) = RKI( 631 ) * YC( CLCCHO )\n RXRAT( 632 ) = RKI( 632 ) * YC( CLCCHO ) * YC( OH )\n RXRAT( 633 ) = RKI( 633 ) * YC( CLCCHO ) * YC( CL )\n RXRAT( 634 ) = RKI( 634 ) * YC( CLACET )\n RXRAT( 635 ) = RKI( 635 ) * YC( xCL ) * YC( NO )\n RXRAT( 636 ) = RKI( 636 ) * YC( xCL ) * YC( HO2 )\n RXRAT( 637 ) = RKI( 637 ) * YC( xCL ) * YC( NO3 )\n RXRAT( 638 ) = RKI( 638 ) * YC( xCL ) * YC( MEO2 )\n RXRAT( 639 ) = RKI( 639 ) * YC( xCL ) * YC( RO2C )\n RXRAT( 640 ) = RKI( 640 ) * YC( xCL ) * YC( RO2XC )\n RXRAT( 641 ) = RKI( 641 ) * YC( xCL ) * YC( MECO3 )\n RXRAT( 642 ) = RKI( 642 ) * YC( xCL ) * YC( RCO3 )\n RXRAT( 643 ) = RKI( 643 ) * YC( xCL ) * YC( BZCO3 )\n RXRAT( 644 ) = RKI( 644 ) * YC( xCL ) * YC( MACO3 )\n RXRAT( 645 ) = RKI( 645 ) * YC( xCLCCHO ) * YC( NO )\n RXRAT( 646 ) = RKI( 646 ) * YC( xCLCCHO ) * YC( HO2 )\n RXRAT( 647 ) = RKI( 647 ) * YC( xCLCCHO ) * YC( NO3 )\n RXRAT( 648 ) = RKI( 648 ) * YC( xCLCCHO ) * YC( MEO2 )\n RXRAT( 649 ) = RKI( 649 ) * YC( xCLCCHO ) * YC( RO2C )\n RXRAT( 650 ) = RKI( 650 ) * YC( xCLCCHO ) * YC( RO2XC )\n RXRAT( 651 ) = RKI( 651 ) * YC( xCLCCHO ) * YC( MECO3 )\n RXRAT( 652 ) = RKI( 652 ) * YC( xCLCCHO ) * YC( RCO3 )\n RXRAT( 653 ) = RKI( 653 ) * YC( xCLCCHO ) * YC( BZCO3 )\n RXRAT( 654 ) = RKI( 654 ) * YC( xCLCCHO ) * YC( MACO3 )\n RXRAT( 655 ) = RKI( 655 ) * YC( xCLACET ) * YC( NO )\n RXRAT( 656 ) = RKI( 656 ) * YC( xCLACET ) * YC( HO2 )\n RXRAT( 657 ) = RKI( 657 ) * YC( xCLACET ) * YC( NO3 )\n RXRAT( 658 ) = RKI( 658 ) * YC( xCLACET ) * YC( MEO2 )\n RXRAT( 659 ) = RKI( 659 ) * YC( xCLACET ) * YC( RO2C )\n RXRAT( 660 ) = RKI( 660 ) * YC( xCLACET ) * YC( RO2XC )\n RXRAT( 661 ) = RKI( 661 ) * YC( xCLACET ) * YC( MECO3 )\n RXRAT( 662 ) = RKI( 662 ) * YC( xCLACET ) * YC( RCO3 )\n RXRAT( 663 ) = RKI( 663 ) * YC( xCLACET ) * YC( BZCO3 )\n RXRAT( 664 ) = RKI( 664 ) * YC( xCLACET ) * YC( MACO3 )\n RXRAT( 665 ) = RKI( 665 ) * YC( CL )\n RXRAT( 666 ) = RKI( 666 ) * YC( ETHENE ) * YC( CL )\n RXRAT( 667 ) = RKI( 667 ) * YC( PROPENE ) * YC( CL )\n RXRAT( 668 ) = RKI( 668 ) * YC( BUTADIENE13 ) * YC( CL )\n RXRAT( 669 ) = RKI( 669 ) * YC( ISOPRENE ) * YC( CL )\n RXRAT( 670 ) = RKI( 670 ) * YC( APIN ) * YC( CL )\n RXRAT( 671 ) = RKI( 671 ) * YC( ACETYLENE ) * YC( CL )\n RXRAT( 672 ) = RKI( 672 ) * YC( TOLUENE ) * YC( CL )\n RXRAT( 673 ) = RKI( 673 ) * YC( MXYL ) * YC( CL )\n RXRAT( 674 ) = RKI( 674 ) * YC( OXYL ) * YC( CL )\n RXRAT( 675 ) = RKI( 675 ) * YC( PXYL ) * YC( CL )\n RXRAT( 676 ) = RKI( 676 ) * YC( TMBENZ124 ) * YC( CL )\n RXRAT( 677 ) = RKI( 677 ) * YC( ETOH ) * YC( CL )\n RXRAT( 678 ) = RKI( 678 ) * YC( ALK1 ) * YC( CL )\n RXRAT( 679 ) = RKI( 679 ) * YC( ALK2 ) * YC( CL )\n RXRAT( 680 ) = RKI( 680 ) * YC( ALK3 ) * YC( CL )\n RXRAT( 681 ) = RKI( 681 ) * YC( ALK4 ) * YC( CL )\n RXRAT( 682 ) = RKI( 682 ) * YC( ALK5 ) * YC( CL )\n RXRAT( 683 ) = RKI( 683 ) * YC( OLE1 ) * YC( CL )\n RXRAT( 684 ) = RKI( 684 ) * YC( OLE2 ) * YC( CL )\n RXRAT( 685 ) = RKI( 685 ) * YC( ARO1 ) * YC( CL )\n RXRAT( 686 ) = RKI( 686 ) * YC( ARO2MN ) * YC( CL )\n RXRAT( 687 ) = RKI( 687 ) * YC( NAPHTHAL ) * YC( CL )\n RXRAT( 688 ) = RKI( 688 ) * YC( TERP ) * YC( CL )\n RXRAT( 689 ) = RKI( 689 ) * YC( SESQ ) * YC( CL )\n RXRAT( 690 ) = RKI( 690 ) * YC( BENZRO2 ) * YC( NO )\n RXRAT( 691 ) = RKI( 691 ) * YC( BENZRO2 ) * YC( HO2 )\n RXRAT( 692 ) = RKI( 692 ) * YC( XYLRO2 ) * YC( NO )\n RXRAT( 693 ) = RKI( 693 ) * YC( XYLRO2 ) * YC( HO2 )\n RXRAT( 694 ) = RKI( 694 ) * YC( TOLRO2 ) * YC( NO )\n RXRAT( 695 ) = RKI( 695 ) * YC( TOLRO2 ) * YC( HO2 )\n RXRAT( 696 ) = RKI( 696 ) * YC( PAHRO2 ) * YC( NO )\n RXRAT( 697 ) = RKI( 697 ) * YC( PAHRO2 ) * YC( HO2 )\n RXRAT( 698 ) = RKI( 698 ) * YC( HCHO_PRIMARY )\n RXRAT( 699 ) = RKI( 699 ) * YC( HCHO_PRIMARY )\n RXRAT( 700 ) = RKI( 700 ) * YC( HCHO_PRIMARY ) * YC( OH )\n RXRAT( 701 ) = RKI( 701 ) * YC( HCHO_PRIMARY ) * YC( NO3 )\n RXRAT( 702 ) = RKI( 702 ) * YC( HCHO_PRIMARY ) * YC( CL )\n RXRAT( 703 ) = RKI( 703 ) * YC( CCHO_PRIMARY ) * YC( OH )\n RXRAT( 704 ) = RKI( 704 ) * YC( CCHO_PRIMARY )\n RXRAT( 705 ) = RKI( 705 ) * YC( CCHO_PRIMARY ) * YC( NO3 )\n RXRAT( 706 ) = RKI( 706 ) * YC( CCHO_PRIMARY ) * YC( CL )\n RXRAT( 707 ) = RKI( 707 ) * YC( ACRO_PRIMARY ) * YC( OH )\n RXRAT( 708 ) = RKI( 708 ) * YC( ACRO_PRIMARY ) * YC( O3 )\n RXRAT( 709 ) = RKI( 709 ) * YC( ACRO_PRIMARY ) * YC( NO3 )\n RXRAT( 710 ) = RKI( 710 ) * YC( ACRO_PRIMARY ) * YC( O3P )\n RXRAT( 711 ) = RKI( 711 ) * YC( ACRO_PRIMARY )\n RXRAT( 712 ) = RKI( 712 ) * YC( ACRO_PRIMARY ) * YC( CL )\n RXRAT( 713 ) = RKI( 713 ) * YC( NO2 )\n RXRAT( 714 ) = RKI( 714 ) * YC( N2O5 )\n RXRAT( 715 ) = RKI( 715 ) * YC( N2O5 )\n RXRAT( 716 ) = RKI( 716 ) * YC( H2NO3PIJ )\n RXRAT( 717 ) = RKI( 717 ) * YC( H2NO3PK )\n RXRAT( 718 ) = RKI( 718 ) * YC( H2NO3PIJ ) * YC( ACLI )\n RXRAT( 719 ) = RKI( 719 ) * YC( H2NO3PIJ ) * YC( ACLJ )\n RXRAT( 720 ) = RKI( 720 ) * YC( H2NO3PK ) * YC( ACLK )\n! RXRAT( 721 ) = RKI( 721 ) * YC( O3 )\n RXRAT( 722 ) = RKI( 722 ) * YC( AXYL1J )\n RXRAT( 723 ) = RKI( 723 ) * YC( AXYL2J )\n RXRAT( 724 ) = RKI( 724 ) * YC( ATOL1J )\n RXRAT( 725 ) = RKI( 725 ) * YC( ATOL2J )\n RXRAT( 726 ) = RKI( 726 ) * YC( ABNZ1J )\n RXRAT( 727 ) = RKI( 727 ) * YC( ABNZ2J )\n RXRAT( 728 ) = RKI( 728 ) * YC( ATRP1J )\n RXRAT( 729 ) = RKI( 729 ) * YC( ATRP2J )\n RXRAT( 730 ) = RKI( 730 ) * YC( AISO1J )\n RXRAT( 731 ) = RKI( 731 ) * YC( AISO2J )\n RXRAT( 732 ) = RKI( 732 ) * YC( ASQTJ )\n RXRAT( 733 ) = RKI( 733 ) * YC( APAH1J )\n RXRAT( 734 ) = RKI( 734 ) * YC( APAH2J )\n RXRAT( 735 ) = RKI( 735 ) * YC( AALK1J )\n RXRAT( 736 ) = RKI( 736 ) * YC( AALK2J )\n RXRAT( 737 ) = RKI( 737 ) * YC( APOCI ) * YC( OH )\n RXRAT( 738 ) = RKI( 738 ) * YC( APNCOMI ) * YC( OH )\n RXRAT( 739 ) = RKI( 739 ) * YC( APOCJ ) * YC( OH )\n RXRAT( 740 ) = RKI( 740 ) * YC( APNCOMJ ) * YC( OH )\n RXRAT( 741 ) = RKI( 741 ) * YC( PCVOC ) * YC( OH )\n RXRAT( 742 ) = RKI( 742 ) * YC( VLVPO1 ) * YC( OH )\n RXRAT( 743 ) = RKI( 743 ) * YC( VSVPO1 ) * YC( OH )\n RXRAT( 744 ) = RKI( 744 ) * YC( VSVPO2 ) * YC( OH )\n RXRAT( 745 ) = RKI( 745 ) * YC( VSVPO3 ) * YC( OH )\n RXRAT( 746 ) = RKI( 746 ) * YC( VIVPO1 ) * YC( OH )\n RXRAT( 747 ) = RKI( 747 ) * YC( VLVOO1 ) * YC( OH )\n RXRAT( 748 ) = RKI( 748 ) * YC( VLVOO2 ) * YC( OH )\n RXRAT( 749 ) = RKI( 749 ) * YC( VSVOO1 ) * YC( OH )\n RXRAT( 750 ) = RKI( 750 ) * YC( VSVOO2 ) * YC( OH )\n RXRAT( 751 ) = RKI( 751 ) * YC( VSVOO3 ) * YC( OH )\n RXRAT( 752 ) = RKI( 752 ) * YC( IEPOX )\n\n\n RETURN\n\n END\n" }, { "path": "CCTM/src/gas/ebi_saprc07tc_ae6_aq/hrsolver.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\n SUBROUTINE HRSOLVER( JDATE, JTIME, C, R, L )\n\n\nC**********************************************************************\nC\nC FUNCTION: EBI solver\nC\nC PRECONDITIONS: For the SAPRC07TC_AE6_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: HRRATES, HRG1, HRG2, HRG3\nC HRG4, HRPRODLOSS\nC DEGRADE\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 8, 2022\nC 21 Jun 10 J.Young: convert for Namelist redesign\nC 18 Jul 14 B.Hutzell: revised 1) to use the RXNS_DATA and RXNS_FUNCTION\nC modules instead of include files and 2) to use\nC real(8) variables\nC**********************************************************************\n\n USE RUNTIME_VARS\n USE UTILIO_DEFN\n USE RXNS_DATA\n USE HRDATA\n USE PA_IRR_MODULE\n#ifdef isam\n USE SA_IRR_DEFN\n#endif\n#ifdef sens\n USE DDM3D_CHEM, ONLY: YCDDM\n USE CGRID_SPCS, ONLY: GC_SPC\n#endif\n USE DEGRADE_ROUTINES, ONLY : DEGRADE, SA_DEGRADE_STEP\n\n\n IMPLICIT NONE\n\nC..INCLUDES:\n\n\nC..ARGUMENTS:\n INTEGER, INTENT( IN ) :: JDATE ! Current date (YYYYDDD)\n INTEGER, INTENT( IN ) :: JTIME ! Current time (HHMMSS)\n INTEGER, INTENT( IN ) :: C, R, L ! Cell col, row, lev\n\nC..PARAMETERS:\n INTEGER, PARAMETER :: MXBKUPS = 5 ! Max no. of back-ups allowed\n INTEGER, PARAMETER :: STAT = 1 ! Status code\n\n REAL( 8 ), PARAMETER :: DTMIN = 1.0D-08 ! Smallest time step allowed, min\n REAL( 8 ), PARAMETER :: EPSLON = 1.0D-30 ! Small number\n REAL( 8 ), PARAMETER :: MAXPRED = 1.0D+03 ! Upper limit on predicted conc\n REAL( 8 ), PARAMETER :: ZERO = 1.0D-40 ! effective zero\n REAL( 8 ), PARAMETER :: FLOOR = 1.0D-08 ! Min conc for RTOL\n\nC..EXTERNAL FUNCTIONS:\n\n\nC..SAVED LOCAL VARIABLES:\n CHARACTER( 16 ), SAVE :: PNAME = 'HRSOLVER' ! Program name\n LOGICAL, SAVE :: LFIRST = .TRUE. ! Flag for first call\n LOGICAL, ALLOCATABLE, SAVE :: LEBISPFL( : ) ! Convergence Error Flag for EBI species\n LOGICAL, ALLOCATABLE, SAVE :: MAXCONC ( : ) ! MAXCONC ERROR Flag for EBI species\n LOGICAL, ALLOCATABLE, SAVE :: NOTMAX ( : ) ! Initial concentration not greater than MAXPRED\n\n REAL( 8 ), ALLOCATABLE, SAVE :: RERROR ( : ) ! Relative Error\n REAL( 8 ), ALLOCATABLE, SAVE :: AERROR ( : ) ! Absolute Error\n\n\nC..SCRATCH LOCAL VARIABLES:\n\n CHARACTER( 132 ) :: MSG ! Message text\n\n INTEGER CELLNO ! Cell no. fo debug output\n INTEGER ITER ! Loop index for Backward Euler iterations\n INTEGER S ! Loop index for species\n INTEGER SP ! Imbedded loop index for species\n INTEGER NEBI ! Loop index for time steps\n INTEGER NINR ! No. of inner time steps\n#ifdef hrdebug\n INTEGER N ! Loop index\n#endif\n INTEGER M ! species index\n INTEGER EBI ! Loop index\n INTEGER NBKUPS ! No. of times time step reduced\n INTEGER ERR ! Allocate error flag\n\n\n LOGICAL LEBI_CONV ! Flag for EBI convergence\n LOGICAL MXFL ! hit MAXPRED flag\n\n REAL( 8 ) DTC ! Time step to take\n REAL( 8 ) DTG ! Time step in degrade routines, sec\n REAL( 8 ) FXDLOSS ! Total loss due to negative stoichiometry\n REAL( 8 ) VARLOSS ! Loss excluding negative stoichiometry\n\n\n#ifdef hrdebug\n CHARACTER( 8 ) :: NOTE ! Convergence fail note\n\n INTEGER COL ! Column to generate deboug output for\n INTEGER ROW ! Row to generate deboug output for\n INTEGER LEV ! Level to generate deboug output for\n INTEGER DBGOUT ! Output unit for debu outpt\n\n LOGICAL LDEBUG ! Debug output flag\n LOGICAL, SAVE :: LOPEN = .FALSE.\n#endif\n\n\nC**********************************************************************\n\n\n IF( LFIRST ) THEN\n LFIRST = .FALSE.\n\n ALLOCATE ( LEBISPFL( NUMB_MECH_SPC ), STAT = ERR )\n IF ( ERR .NE. 0 ) THEN\n MSG = 'Error allocating LEBISPFL'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n END IF\n\n ALLOCATE ( MAXCONC( NUMB_MECH_SPC ), STAT = ERR )\n IF ( ERR .NE. 0 ) THEN\n MSG = 'Error allocating MAXCONC'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n END IF\n\n ALLOCATE ( NOTMAX( NUMB_MECH_SPC ), STAT = ERR )\n IF ( ERR .NE. 0 ) THEN\n MSG = 'Error allocating NOTMAX'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n END IF\n\n ALLOCATE ( RERROR( NUMB_MECH_SPC ), STAT = ERR )\n IF ( ERR .NE. 0 ) THEN\n MSG = 'Error allocating ERROR'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n END IF\n\n ALLOCATE ( AERROR( NUMB_MECH_SPC ), STAT = ERR )\n IF ( ERR .NE. 0 ) THEN\n MSG = 'Error allocating AERROR'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n END IF\n\n END IF\n\n#ifdef sens\n YCDDM = 0.0D0\n#endif\n\nc++++++++++++++++++++++++Debug section++++++++++++++++++++++++++++++++++\n#ifdef hrdebug\n COL = 0\n ROW = 0\n LEV = 0\n IF( C .EQ. COL .AND. R .EQ. ROW .AND. L .EQ. LEV ) THEN\nc IF( JTIME .EQ. 160000 ) THEN\n LDEBUG = .TRUE.\n ELSE\n LDEBUG = .FALSE.\n END IF\n\n IF( LDEBUG ) THEN\n IF( .NOT. LOPEN ) THEN\n DBGOUT = JUNIT()\n OPEN( UNIT = DBGOUT, FILE = 'debug.out' )\n LOPEN = .TRUE.\n END IF\n\n WRITE( DBGOUT, '( A, 2I4, I3, 1X, I7, 1X, I6 ) ' )\n & 'Debug output for col/row/lev/date/time:',\n & C, R, L, JDATE, JTIME\n WRITE( DBGOUT, '( A, F7.2) ' )\n & 'EBI_TMSTEP = ', EBI_TMSTEP\n WRITE( DBGOUT, '( A )' ) 'Starting concs and rate constants'\n DO N = 1, NUMB_MECH_SPC\n WRITE( DBGOUT, '( A, I3, 1X, A, 1X, 1PD13.5 )' )\n & 'SP ',N, CHEMISTRY_SPC( N ), YC( N )\n END DO\n DO N = 1, N_RXNS\n WRITE( DBGOUT, '( A, I3, 1X, 1PD13.5 )' )\n & 'RKI ', N, RKI( N )\n END DO\n END IF\n#endif\nc++++++++++++++++++++++++Debug section++++++++++++++++++++++++++++++++++\n\n\n\n DTC = EBI_TMSTEP\n\n N_EBI_IT = 0\n NBKUPS = 0\n N_INR_STEPS = 1\n NEBI = 1\n LEBI_CONV = .TRUE.\n#ifdef isam\n UPDATE_SOLD = .FALSE.\n UPDATE_PROBABILITIES = .TRUE.\n CALL SA_IRR_UNBLOCKED ( .TRUE., RKI, YC, DTC )\n#endif\n\n\n DO S = 1, NUMB_MECH_SPC\n IF( YC( S ) .LE. MAXPRED )THEN\n NOTMAX( S ) = .TRUE.\n ELSE\n NOTMAX( S ) = .FALSE.\n WRITE(LOGDEV,91000)C, R, L, CHEMISTRY_SPC(S), YC(S)\n END IF\n END DO\n\n! Initial PA_IRR\n IF( CALL_IRR ) CALL PA_IRR ( .TRUE., RKI, YC, DTC )\n SA_DEGRADE_STEP = 0\n TSTEP_EBI: DO ! EBI time-step loop\n\n SUBSTEP_EBI: DO NINR = 1, N_INR_STEPS ! time substeps loop\n! first attempt is sub time-step equals EBI time-step\n\n IF( LEBI_CONV ) YC0 = YC ! Set ICs for EBI iterations\n\n ITER_SUBSTEP: DO ITER = 1, NEBITER ! iteration loop solving for sub time-step\n\n\n N_EBI_IT = N_EBI_IT + 1\n CALL HRRATES\n\nc++++++++++++++++++++++++Debug section++++++++++++++++++++++++++++++++++\n#ifdef hrdebug\n IF( LDEBUG ) THEN\n WRITE( DBGOUT, '( A, I5 )' ) 'ITER NO ', ITER\n WRITE( DBGOUT, '( A, F12.5 )' )\n & ' DTC=', DTC\n\n IF( ITER .EQ. 1 ) THEN\n WRITE( DBGOUT, '( A )' ) 'Starting reaction rates'\n DO N = 1, N_RXNS\n WRITE( DBGOUT, '( A, I3, 1X, 1PD13.5 )' )\n & 'RXRAT ', N, RXRAT( NCELL, N )\n END DO\n END IF\n END IF\n#endif\nc++++++++++++++++++++++++Debug section++++++++++++++++++++++++++++++++++\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Call routines to compute concentrations of groups 1-4\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n CALL HRG1( DTC )\n\n CALL HRG2( DTC )\n\n CALL HRG3( DTC )\n\n CALL HRG4( DTC )\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Do the Euler backward method\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n CALL HRPRODLOSS\n\n DO EBI = 1, N_EBISP\n S = EBISP( EBI )\n YCP( S ) = YC( S )*( ( YC0( S ) + PROD( S ) * DTC )\n & / ( YC( S ) + LOSS( S ) * DTC ) )\n END DO\n\n\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Check for convergence\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n LEBI_CONV = .TRUE.\n MXFL = .FALSE.\n\n DO S = 1, NUMB_MECH_SPC\n LEBISPFL( S ) = .FALSE.\n YCP( S ) = MAX( ZERO, YCP( S ) )\n AERROR( S ) = MAX( ABS( YC(S)-YCP(S) ), EPSLON )\n RERROR( S ) = AERROR( S ) / MAX( FLOOR, ABS( YC(S)+YCP(S) ) )\n IF( RERROR( S ) .GT. RTOL(S) .OR. AERROR( S ) .GT. 1.0D-5 )THEN\n LEBI_CONV = .FALSE.\n LEBISPFL( S ) = .TRUE.\n END IF\nc..test if predictions growing too large\n IF( YCP( S ) .GT. MAXPRED .AND. NOTMAX( S ) ) THEN\n MXFL = .TRUE.\n LEBI_CONV = .FALSE.\n LEBISPFL( S ) = .TRUE.\n END IF\n YC( S ) = YCP( S )\n END DO\nc..test if predictions growing too large, abort interation loop\n IF( MXFL ) EXIT ITER_SUBSTEP\n\nc++++++++++++++++++++++++Debug section++++++++++++++++++++++++++++++++++\n#ifdef hrdebug\n IF( LDEBUG ) THEN\n WRITE( DBGOUT, '( A, I5 )' ) 'Concs after ITER= ', ITER\n DO S = 1, NUMB_MECH_SPC\n\n IF( LEBISPFL( S ) ) THEN\n NOTE = 'CONV FAIL'\n ELSE\n NOTE = ' '\n END IF\n\n WRITE( DBGOUT, '( I3, 1X, A, 1PD13.5, 1X, A )' )\n & S, CHEMISTRY_SPC( S ), YC( S ), NOTE\n END DO\n IF( LEBI_CONV ) WRITE( DBGOUT, '( A )' )\n & '****Convergence achieved'\n END IF\n#endif\nc++++++++++++++++++++++++Debug section++++++++++++++++++++++++++++++++++\n\n IF( LEBI_CONV ) THEN\n\n DTG = 60.0D0 * DTC\n DO S = 1, NUMB_MECH_SPC\n M = CGRID_INDEX( S )\n YCCELL( M ) = YC( S )\n END DO\n#if defined(isam) || defined(verbose_isam)\n SA_DEGRADE_STEP = SA_DEGRADE_STEP + 1\n#endif\n IF( CALL_DEG )CALL DEGRADE(YCCELL, DTG, JDATE, JTIME) ! :WTH Call degradation routine\n\n IF( CALL_IRR ) CALL PA_IRR ( .FALSE., RKI, YC, DTC )\n#ifdef isam\n IF( NEBI .EQ. N_EBI_STEPS )UPDATE_SOLD = .TRUE.\n CALL SA_IRR_UNBLOCKED ( .FALSE., RKI, YC, DTC )\n UPDATE_PROBABILITIES = .FALSE.\n#endif\n\n#ifdef sens\nC Update the sum for the average over the chemistry integration\n YCDDM = YCDDM\n & + ( ( 0.5D0 * DTC ) * ( YC + YC0 ) )\n#endif\n\n CYCLE SUBSTEP_EBI ! solve for next sub time-step\n\n END IF\n\n END DO ITER_SUBSTEP\n! interating for substep failed, attempt to increase number of sub time-steps\n NBKUPS = NBKUPS + 1\n\n! IF( NBKUPS .LE. MXBKUPS ) THEN\n IF ( DTC .GT. DTMIN ) THEN\n! reset YC and cut sub time-step in half\n IF ( MXFL ) THEN\n WRITE( LOGDEV, 92008 ) NBKUPS\n WRITE( LOGDEV, 92009 ) C+PECOL_OFFSET, R+PEROW_OFFSET, L\n DO S = 1, NUMB_MECH_SPC\n IF( LEBISPFL( S ) )WRITE( LOGDEV, 92010 )TRIM( CHEMISTRY_SPC( S ) ),\n & YC0(S), YCP(S)\n END DO\n ELSE\n WRITE( LOGDEV, 92000 ) C+PECOL_OFFSET, R+PEROW_OFFSET, L, NBKUPS\n DO S = 1, NUMB_MECH_SPC\n IF( LEBISPFL( S ) )WRITE( LOGDEV, 92010 )TRIM( CHEMISTRY_SPC( S ) ),\n & YC0(S), YCP(S)\n END DO\n END IF\n\n YC = YC0 ! Set ICs for EBI time-step\n\n DTC = 0.5D0 * DTC\n\n N_INR_STEPS = 2 ** NBKUPS\n\n EXIT SUBSTEP_EBI\n\n ELSE\n\n WRITE( LOGDEV, 92040 ) C+PECOL_OFFSET, R+PEROW_OFFSET, L\n\n WRITE( LOGDEV, 92060 )\n DO S = 1, NUMB_MECH_SPC\n IF( LEBISPFL( S ) ) WRITE( LOGDEV, 92080 ) CHEMISTRY_SPC( S ),\n & YC0(S), YCP(S)\n END DO\n\n MSG = 'ERROR: Stopping because of EBI convergence failures'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT2 )\n\n END IF\n\n END DO SUBSTEP_EBI\n\n IF( LEBI_CONV )THEN\n NEBI = 1 + NEBI\n! test for completing final EBI time-step\n IF( NEBI .GT. N_EBI_STEPS )EXIT TSTEP_EBI\n! test whether backups were done\n IF( NBKUPS .EQ. 0 )CYCLE TSTEP_EBI\n! Reset NBKUPS, N_INR_STEPS and sub-time step\n NBKUPS = 0\n N_INR_STEPS = 1\n DTC = EBI_TMSTEP\n END IF\n\n END DO TSTEP_EBI\n\n#ifdef sens\n! Compute average over integration and filter values\n YCDDM = YCDDM / CHEMSTEP\n WHERE ( YCDDM .LT. 1.0D-25 ) YCDDM = 0.0D0\n#endif\n\n\n RETURN\n\n\n91000 FORMAT( 'WARNING: EBI solver in cell (',2(I4,','),I4,') Init.Conc. for ',\n & A16, ' = ', ES12.4,' ppmV')\n\n92000 FORMAT( 'WARNING: EBI Euler convergence failure' /\n & ' Reducing EBI time step because of ',\n & ' convergence failure in ' /\n & ' Cell (', I3, ', ', I3, ', ', I3, ')' ,\n & ' Solution Attempt #', I2 /\n & ' Below Species Causing Error: Init.Conc, Pred.Conc.' )\n\n92008 FORMAT( 'WARNING: At solution attempt #', I2 )\n92009 FORMAT( 'WARNING: EBI Euler convergence failure' /\n & ' Reducing EBI time step because of ',\n & ' MAXPRED failure in ' /\n & ' Cell (', I3, ', ', I3, ', ', I3, ')' ,\n & ' for the below species: : Init.Conc, Pred.Conc.')\n92010 FORMAT( A16, 2(1X,ES12.4), ' ppmV' )\n\n92040 FORMAT( 'ERROR: Max number of EBI time step reductions exceeded'\n & / ' Convergence failure for cell (', I3, ', ', I3,\n & ', ', I3, ')' )\n\n92060 FORMAT( ' Convergence failure for the following species:',\n & 'Init.Conc, Pred.Conc.' )\n\n92080 FORMAT( 10X, A, 2(1X,ES12.4), ' ppmV ' )\n\n92061 FORMAT( ' Convergence failure for the following species:',\n & 'Init.Conc, Pred.Conc.,Rel.Error,' )\n\n92081 FORMAT( 10X, A, 2(1X,ES12.4), ' ppmV ', ES12.4,'%' )\n\n END\n" }, { "path": "CCTM/src/gas/ebi_saprc07tic_ae7i_aq/hrdata_mod.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n MODULE HRDATA\n\nC*************************************************************************\nC\nC FUNCTION: Mechanism & solver data for EBI solver\nC\nC PRECONDITIONS: For the SAPRC07TIC_AE7I_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 8, 2022\nC\nC 18 Jul 14 B.Hutzell: revised to use real(8) variables for solution\nC*************************************************************************\n\nc..EBI solver fixed parameters\n INTEGER, PARAMETER :: NEBITER = 1000 ! No. of iterations for EBI\n INTEGER, PARAMETER :: MAX_CELLS_EBI = 1 ! max # cells in local conc arrays\n REAL( 8 ), PARAMETER :: DELTAT = 1.250D+00 ! EBI time step (min)\n\nc..Mechanism specific variables\n INTEGER N_SPEC ! No. of species in mechanism\n INTEGER N_RXNS ! No. of reactions in mechanism\n INTEGER N_EBISP ! No. of species solved by EBI\n INTEGER NING1 ! No. of species in group 1\n INTEGER NING2 ! No. of species in group 2\n INTEGER N_SPCL_RKS ! No. of special rate constants\n INTEGER N_ACTSP ! No. of species in mechanism (non-ss spec)\n INTEGER NCELL ! cell number in EBI Block\n\nc..Control flags\n LOGICAL L_AE_VRSN ! Flag for aerosol version of mech\n LOGICAL L_AQ_VRSN ! Flag for aqueous chemistry version of mech\n LOGICAL CALL_IRR ! Flag initializing for IRR and calling PA_IRR\n\n ! SWITCH for calling DEGRADE routine\n LOGICAL, SAVE :: CALL_DEG = .TRUE.\n\nc..Miscellaneous variables\n INTEGER N_EBI_IT ! No. of iterations for EBI\n INTEGER N_EBI_STEPS ! No. of time steps for EBI\n INTEGER N_INR_STEPS ! No. of inner time steps for EBI\n INTEGER PECOL_OFFSET ! Local Column Offset for processor\n INTEGER PEROW_OFFSET ! Local Column Offset for processor\n \n INTEGER, SAVE :: MODEL_SPECIES ! No. of species in CGRID\n\n REAL( 8 ) EBI_TMSTEP ! Time step for EBI loops (min)\n REAL( 8 ) CHEMSTEP ! Chemistry integration interval (min)\n\nc...Allocatable arrays\n INTEGER, ALLOCATABLE :: EBISP( : ) ! Index of EBI species\n INTEGER, ALLOCATABLE :: SSASP( : ) ! Index of ss species\n INTEGER, ALLOCATABLE :: ACTSP( : ) ! Index of active species\n INTEGER, ALLOCATABLE :: IOLD2NEW( :,: ) ! YC species map, used if NSPECIAL > 0\n\n REAL( 8 ), ALLOCATABLE :: RKI( : ) ! Rate constants\n REAL( 8 ), ALLOCATABLE :: RKI_SAV( :, : ) ! Saved values of RKI for SS species calcs\n\n REAL( 8 ), ALLOCATABLE :: YC ( : ) ! Species concentrations\n REAL( 8 ), ALLOCATABLE :: YC0( : ) ! Species concentrations\n REAL( 8 ), ALLOCATABLE :: YCP( : ) ! Species concentrations\n REAL( 8 ), ALLOCATABLE :: SYC( :, : ) ! Species concentrations\n\n REAL, ALLOCATABLE :: FORWARD_CONV( : ) ! CGRID to CHEM Species conversion factor\n REAL, ALLOCATABLE :: REVERSE_CONV( : ) ! CHEM to CGRID Species conversion factor\n\n REAL( 8 ), ALLOCATABLE :: RXRAT( : ) ! Reaction rates\n REAL( 8 ), ALLOCATABLE :: RTOL( : ) ! Species tolerances\n REAL( 8 ), ALLOCATABLE :: YCCELL( : ) ! ALL Species in cgrid\n REAL( 8 ), ALLOCATABLE :: PROD( : ) ! Prod of species\n REAL( 8 ), ALLOCATABLE :: LOSS( : ) ! Loss of species\n\n REAL, ALLOCATABLE :: PRES( :, :, : ) ! pressure (Pa)\n REAL, ALLOCATABLE :: QV ( :, :, : ) ! water vapor (Kg/Kg air)\n REAL, ALLOCATABLE :: TA ( :, :, : ) ! temperature (K)\n\n REAL, ALLOCATABLE :: SEAICE ( :, :) ! fractional seaice cover, [-]\n REAL, ALLOCATABLE :: DENS( :, :, : ) ! mass density (Kg/m^3)\n\n REAL, ALLOCATABLE :: SEAWATER_ZONE ( :,: ) ! fractional area of OPEN+SURF\n LOGICAL, ALLOCATABLE :: LFLAGIRR ( :,:,: ) ! Conduct IRR for cell\n\n REAL( 8 ), ALLOCATABLE :: ATMPRES ( : ) ! Cell pressure, Atm\n! REAL( 8 ), ALLOCATABLE :: PRESCELL( : ) ! Cell pressure, Pa\n REAL( 8 ), ALLOCATABLE :: H2O ( : ) ! Cell H2O mixing ratio (ppmV)\n REAL( 8 ), ALLOCATABLE :: TEMP ( : ) ! Cell Temperature\n REAL( 8 ), ALLOCATABLE :: DENSITY ( : ) ! Cell mass density (Kg/m3)\n REAL( 8 ), ALLOCATABLE :: HET ( :, : ) ! cell heterogeneous reaction rates\n REAL( 8 ), ALLOCATABLE :: RJIN ( :, : ) ! J-values for a cell\n REAL( 8 ), ALLOCATABLE :: SEAWATER ( : ) ! fractional area of OPEN+SURF for specific cell\n\nc..Species indices\n INTEGER, PARAMETER :: NO2 = 1\n INTEGER, PARAMETER :: NO = 2\n INTEGER, PARAMETER :: O3P = 3\n INTEGER, PARAMETER :: O3 = 4\n INTEGER, PARAMETER :: NO3 = 5\n INTEGER, PARAMETER :: N2O5 = 6\n INTEGER, PARAMETER :: HNO3 = 7\n INTEGER, PARAMETER :: O1D = 8\n INTEGER, PARAMETER :: OH = 9\n INTEGER, PARAMETER :: HONO = 10\n INTEGER, PARAMETER :: HO2 = 11\n INTEGER, PARAMETER :: CO = 12\n INTEGER, PARAMETER :: CO2 = 13\n INTEGER, PARAMETER :: HNO4 = 14\n INTEGER, PARAMETER :: HO2H = 15\n INTEGER, PARAMETER :: SO2 = 16\n INTEGER, PARAMETER :: SULF = 17\n INTEGER, PARAMETER :: SULRXN = 18\n INTEGER, PARAMETER :: MEO2 = 19\n INTEGER, PARAMETER :: HCHO = 20\n INTEGER, PARAMETER :: COOH = 21\n INTEGER, PARAMETER :: MEOH = 22\n INTEGER, PARAMETER :: RO2C = 23\n INTEGER, PARAMETER :: RO2XC = 24\n INTEGER, PARAMETER :: MECO3 = 25\n INTEGER, PARAMETER :: PAN = 26\n INTEGER, PARAMETER :: CCOOOH = 27\n INTEGER, PARAMETER :: CCOOH = 28\n INTEGER, PARAMETER :: RCO3 = 29\n INTEGER, PARAMETER :: PAN2 = 30\n INTEGER, PARAMETER :: xHO2 = 31\n INTEGER, PARAMETER :: yROOH = 32\n INTEGER, PARAMETER :: xCCHO = 33\n INTEGER, PARAMETER :: RCOOOH = 34\n INTEGER, PARAMETER :: RCOOH = 35\n INTEGER, PARAMETER :: BZCO3 = 36\n INTEGER, PARAMETER :: PBZN = 37\n INTEGER, PARAMETER :: BZO = 38\n INTEGER, PARAMETER :: MACO3 = 39\n INTEGER, PARAMETER :: MAPAN = 40\n INTEGER, PARAMETER :: TBUO = 41\n INTEGER, PARAMETER :: RNO3 = 42\n INTEGER, PARAMETER :: ACETONE = 43\n INTEGER, PARAMETER :: NPHE = 44\n INTEGER, PARAMETER :: CRES = 45\n INTEGER, PARAMETER :: xOH = 46\n INTEGER, PARAMETER :: xNO2 = 47\n INTEGER, PARAMETER :: xMEO2 = 48\n INTEGER, PARAMETER :: xMECO3 = 49\n INTEGER, PARAMETER :: xRCO3 = 50\n INTEGER, PARAMETER :: xMACO3 = 51\n INTEGER, PARAMETER :: xTBUO = 52\n INTEGER, PARAMETER :: xCO = 53\n INTEGER, PARAMETER :: CCHO = 54\n INTEGER, PARAMETER :: RCHO = 55\n INTEGER, PARAMETER :: xHCHO = 56\n INTEGER, PARAMETER :: MEK = 57\n INTEGER, PARAMETER :: zRNO3 = 58\n INTEGER, PARAMETER :: xRCHO = 59\n INTEGER, PARAMETER :: HCOOH = 60\n INTEGER, PARAMETER :: xMGLY = 61\n INTEGER, PARAMETER :: xBACL = 62\n INTEGER, PARAMETER :: ROOH = 63\n INTEGER, PARAMETER :: xPROD2 = 64\n INTEGER, PARAMETER :: R6OOH = 65\n INTEGER, PARAMETER :: PRD2 = 66\n INTEGER, PARAMETER :: yR6OOH = 67\n INTEGER, PARAMETER :: RAOOH = 68\n INTEGER, PARAMETER :: MGLY = 69\n INTEGER, PARAMETER :: IPRD = 70\n INTEGER, PARAMETER :: xGLY = 71\n INTEGER, PARAMETER :: xMEK = 72\n INTEGER, PARAMETER :: xAFG1 = 73\n INTEGER, PARAMETER :: xAFG2 = 74\n INTEGER, PARAMETER :: GLY = 75\n INTEGER, PARAMETER :: AFG1 = 76\n INTEGER, PARAMETER :: AFG2 = 77\n INTEGER, PARAMETER :: HCOCO3 = 78\n INTEGER, PARAMETER :: BACL = 79\n INTEGER, PARAMETER :: BALD = 80\n INTEGER, PARAMETER :: AFG3 = 81\n INTEGER, PARAMETER :: xIPRD = 82\n INTEGER, PARAMETER :: MACR = 83\n INTEGER, PARAMETER :: MVK = 84\n INTEGER, PARAMETER :: xHOCCHO = 85\n INTEGER, PARAMETER :: xRNO3 = 86\n INTEGER, PARAMETER :: HOCCHO = 87\n INTEGER, PARAMETER :: xACETONE = 88\n INTEGER, PARAMETER :: ACROLEIN = 89\n INTEGER, PARAMETER :: xBALD = 90\n INTEGER, PARAMETER :: xAFG3 = 91\n INTEGER, PARAMETER :: xMACR = 92\n INTEGER, PARAMETER :: xMVK = 93\n INTEGER, PARAMETER :: xMTNO3 = 94\n INTEGER, PARAMETER :: MTNO3 = 95\n INTEGER, PARAMETER :: IMACO3 = 96\n INTEGER, PARAMETER :: yRAOOH = 97\n INTEGER, PARAMETER :: zMTNO3 = 98\n INTEGER, PARAMETER :: xACROLEIN = 99\n INTEGER, PARAMETER :: ETHENE = 100\n INTEGER, PARAMETER :: PROPENE = 101\n INTEGER, PARAMETER :: BUTADIENE13 = 102\n INTEGER, PARAMETER :: ISOPRENE = 103\n INTEGER, PARAMETER :: APIN = 104\n INTEGER, PARAMETER :: TRPRXN = 105\n INTEGER, PARAMETER :: ACETYLENE = 106\n INTEGER, PARAMETER :: BENZENE = 107\n INTEGER, PARAMETER :: BENZRO2 = 108\n INTEGER, PARAMETER :: TOLUENE = 109\n INTEGER, PARAMETER :: TOLRO2 = 110\n INTEGER, PARAMETER :: MXYL = 111\n INTEGER, PARAMETER :: XYLRO2 = 112\n INTEGER, PARAMETER :: OXYL = 113\n INTEGER, PARAMETER :: PXYL = 114\n INTEGER, PARAMETER :: TMBENZ124 = 115\n INTEGER, PARAMETER :: ETOH = 116\n INTEGER, PARAMETER :: ALK1 = 117\n INTEGER, PARAMETER :: ALK2 = 118\n INTEGER, PARAMETER :: ALK3 = 119\n INTEGER, PARAMETER :: ALK4 = 120\n INTEGER, PARAMETER :: ALK5 = 121\n INTEGER, PARAMETER :: SOAALK = 122\n INTEGER, PARAMETER :: SVAVB2 = 123\n INTEGER, PARAMETER :: SVAVB3 = 124\n INTEGER, PARAMETER :: SVAVB4 = 125\n INTEGER, PARAMETER :: OLE1 = 126\n INTEGER, PARAMETER :: OLE2 = 127\n INTEGER, PARAMETER :: ARO1 = 128\n INTEGER, PARAMETER :: ARO2MN = 129\n INTEGER, PARAMETER :: NAPHTHAL = 130\n INTEGER, PARAMETER :: PAHRO2 = 131\n INTEGER, PARAMETER :: TERP = 132\n INTEGER, PARAMETER :: TERPNRO2 = 133\n INTEGER, PARAMETER :: SESQ = 134\n INTEGER, PARAMETER :: SESQRXN = 135\n INTEGER, PARAMETER :: CL2 = 136\n INTEGER, PARAMETER :: CL = 137\n INTEGER, PARAMETER :: CLNO = 138\n INTEGER, PARAMETER :: CLONO = 139\n INTEGER, PARAMETER :: CLNO2 = 140\n INTEGER, PARAMETER :: HCL = 141\n INTEGER, PARAMETER :: CLO = 142\n INTEGER, PARAMETER :: CLONO2 = 143\n INTEGER, PARAMETER :: HOCL = 144\n INTEGER, PARAMETER :: xCL = 145\n INTEGER, PARAMETER :: xCLCCHO = 146\n INTEGER, PARAMETER :: xCLACET = 147\n INTEGER, PARAMETER :: CLCCHO = 148\n INTEGER, PARAMETER :: CLACET = 149\n INTEGER, PARAMETER :: CLCHO = 150\n INTEGER, PARAMETER :: SVAVB1 = 151\n INTEGER, PARAMETER :: HCHO_PRIMARY = 152\n INTEGER, PARAMETER :: CCHO_PRIMARY = 153\n INTEGER, PARAMETER :: ACRO_PRIMARY = 154\n INTEGER, PARAMETER :: ISOPO2 = 155\n INTEGER, PARAMETER :: ISOPRXN = 156\n INTEGER, PARAMETER :: ISOPND = 157\n INTEGER, PARAMETER :: ISOPNB = 158\n INTEGER, PARAMETER :: HC5 = 159\n INTEGER, PARAMETER :: DIBOO = 160\n INTEGER, PARAMETER :: ISOPOOH = 161\n INTEGER, PARAMETER :: HPALD = 162\n INTEGER, PARAMETER :: HACET = 163\n INTEGER, PARAMETER :: NISOPO2 = 164\n INTEGER, PARAMETER :: NIT1 = 165\n INTEGER, PARAMETER :: NISOPOOH = 166\n INTEGER, PARAMETER :: HC5OO = 167\n INTEGER, PARAMETER :: DHMOB = 168\n INTEGER, PARAMETER :: ISOPNOOD = 169\n INTEGER, PARAMETER :: PROPNN = 170\n INTEGER, PARAMETER :: MVKN = 171\n INTEGER, PARAMETER :: ETHLN = 172\n INTEGER, PARAMETER :: RNO3I = 173\n INTEGER, PARAMETER :: ISOPNOOB = 174\n INTEGER, PARAMETER :: MACRN = 175\n INTEGER, PARAMETER :: NIT1NO3OOA = 176\n INTEGER, PARAMETER :: NIT1NO3OOB = 177\n INTEGER, PARAMETER :: ISOPNN = 178\n INTEGER, PARAMETER :: NIT1OHOO = 179\n INTEGER, PARAMETER :: MVKOO = 180\n INTEGER, PARAMETER :: MACROO = 181\n INTEGER, PARAMETER :: PYRUACD = 182\n INTEGER, PARAMETER :: IEPOX = 183\n INTEGER, PARAMETER :: IEPOXOO = 184\n INTEGER, PARAMETER :: IMPAA = 185\n INTEGER, PARAMETER :: IMAPAN = 186\n INTEGER, PARAMETER :: IMAE = 187\n INTEGER, PARAMETER :: IHMML = 188\n INTEGER, PARAMETER :: H2NO3PIJ = 189\n INTEGER, PARAMETER :: H2NO3PK = 190\n INTEGER, PARAMETER :: ACLI = 191\n INTEGER, PARAMETER :: ACLJ = 192\n INTEGER, PARAMETER :: ACLK = 193\n INTEGER, PARAMETER :: IEPOXP = 194\n INTEGER, PARAMETER :: IMAEP = 195\n INTEGER, PARAMETER :: IHMMLP = 196\n INTEGER, PARAMETER :: AIETETJ = 197\n INTEGER, PARAMETER :: ASO4J = 198\n INTEGER, PARAMETER :: AIEOSJ = 199\n INTEGER, PARAMETER :: ADIMJ = 200\n INTEGER, PARAMETER :: AIMGAJ = 201\n INTEGER, PARAMETER :: AIMOSJ = 202\n INTEGER, PARAMETER :: AISO1J = 203\n INTEGER, PARAMETER :: AOLGBJ = 204\n INTEGER, PARAMETER :: AISO2J = 205\n INTEGER, PARAMETER :: ASQTJ = 206\n INTEGER, PARAMETER :: AAVB2J = 207\n INTEGER, PARAMETER :: AOLGAJ = 208\n INTEGER, PARAMETER :: AAVB3J = 209\n INTEGER, PARAMETER :: AAVB4J = 210\n INTEGER, PARAMETER :: APOCI = 211\n INTEGER, PARAMETER :: APNCOMI = 212\n INTEGER, PARAMETER :: APOCJ = 213\n INTEGER, PARAMETER :: APNCOMJ = 214\n INTEGER, PARAMETER :: PCVOC = 215\n INTEGER, PARAMETER :: PCSOARXN = 216\n INTEGER, PARAMETER :: VLVPO1 = 217\n INTEGER, PARAMETER :: VSVPO1 = 218\n INTEGER, PARAMETER :: VSVPO2 = 219\n INTEGER, PARAMETER :: VSVPO3 = 220\n INTEGER, PARAMETER :: VIVPO1 = 221\n INTEGER, PARAMETER :: VLVOO1 = 222\n INTEGER, PARAMETER :: VLVOO2 = 223\n INTEGER, PARAMETER :: VSVOO2 = 224\n INTEGER, PARAMETER :: VSVOO3 = 225\n INTEGER, PARAMETER :: VSVOO1 = 226\n INTEGER, PARAMETER :: AMTNO3J = 227\n INTEGER, PARAMETER :: AMTHYDJ = 228\n INTEGER, PARAMETER :: AISOPNNJ = 229\n INTEGER, PARAMETER :: AGLYJ = 230\n\n END MODULE HRDATA\n" }, { "path": "CCTM/src/gas/ebi_saprc07tic_ae7i_aq/hrdriver.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE CHEM( CGRID, JDATE, JTIME, TSTEP )\nC**********************************************************************\nC\nC FUNCTION: Driver subroutine for Euler Backward Iterative solver\nC\nC PRECONDITIONS: For the SAPRC07TIC_AE7I_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: HRINIT, HRCALCKS, HRSOLVER\nC FIND_DEGRADED, INIT_DEGRADE, FINAL_DEGRADE\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 8, 2022\nC Based on the algorithm in \"Test of Two Numerical\nC Schemes for Use in Atmospheric Transport-Chemistry\nC Models\", O. Hertel, R. Berkowicz, J. Christensen,\nC and O. Hov, Atm Env., Vol. 27A, No. 16, 1993.\nC Original MEBI code developed by Ho-Chun Huang,\nC SUNY, Albany -- \"On the performance of numerical\nC solvers for a chemistry submodel in three-dimensional\nC air quality models 1. Box model simulations\",\nC H. Huang and J.S. Chang, JGR, Vol 106, No. D17, 2001.\nC This version replaces Huang and Chang use of numerical\nC solutions with analytical solutions derived in\nC Hertel et al.\nC 21 Jun 10 J.Young: convert for Namelist redesign\nC 11 May 11 D.Wong: incorporated twoway model implementation\nC 27 Sep 11 B.Hutzell: revised method for defining CALL_DEG variable\nC 18 Jul 14 B.Hutzell: revised: 1) to use the RXNS_DATA and RXNS_FUNCTION\nC modules instead of include files, 2) to enable\nC reactions between species types, 3) to calculate\nC heterogeneous rate constants via AEROSOL_CHEMISTRY\nC module, 4) to replace call to HRCALCKS with\nC subroutine in RXNS_FUNCTION module and 5) to change\nC how degrade routines are used, if present\nC 02 Dec 14 B.Hutzell: 1) added terrestrial data to conduct surface\nC dependent reactions and 2) modified the call CALC_RCONST\nC routine\nC 01 Feb 19 D.Wong: Implemented centralized I/O approach, removed all MY_N\nC clauses\nC**********************************************************************\n\n USE HGRD_DEFN ! horizontal domain specifications\n USE VGRD_DEFN ! vertical layer specifications\n USE CGRID_SPCS ! CGRID mechanism species\n USE UTILIO_DEFN ! IOAPI parameters and functions declarations\n USE RXNS_DATA\n USE AEROSOL_CHEMISTRY\n USE RXNS_FUNCTION\n#ifdef isam\n USE SA_IRR_DEFN\n USE SA_DEFN\n#endif\n USE HRDATA\n USE PHOT_MOD, Only: INIT_PHOT_SHARED, RJ ! photolysis rate, in-line module\n USE PA_DEFN, Only: LIRR ! Process Analysis control and data variable\n USE PA_IRR_CLT\n#ifndef isam\n USE DEGRADE_ROUTINES, ONLY : N_REACT, RXTANT_MAP, DEG_LAY, DEG_COL, DEG_ROW,\n & FIND_DEGRADED, INIT_DEGRADE, FINAL_DEGRADE\n#else\n USE DEGRADE_ROUTINES, ONLY : N_REACT, RXTANT_MAP, SA_DEGRADE_EXTRACT,\n & FIND_DEGRADED, INIT_DEGRADE, FINAL_DEGRADE,\n & SA_DEGRADE_UPLOAD, DEG_LAY, DEG_COL, DEG_ROW\n#endif\n USE CENTRALIZED_IO_MODULE, ONLY : INTERPOLATE_VAR, OCEAN, SZONE\n#ifdef sens\n USE DDM3D_CHEM\n Use DDM3D_DEFN, Only: DATENUM, STARTDATE, IPT, IDATE, HIGH, NP, NPMAX, CKTIME\n#endif\n\n IMPLICIT NONE\n\nC..Includes:\n INCLUDE SUBST_FILES_ID ! CMAQ files\n INCLUDE SUBST_CONST ! CMAQ constants\n\n INCLUDE SUBST_EMISPRM ! Emissions processing control parameters\n\nC..Arguments:\n REAL, POINTER :: CGRID( :,:,:,: ) ! Species concentrations\n INTEGER JDATE ! Current date (YYYYDDD)\n INTEGER JTIME ! Current time (HHMMSS)\n INTEGER TSTEP( 3 ) ! Time step vector (HHMMSS)\n\nC..Parameters:\n REAL( 8 ), PARAMETER :: DCONMIN = 1.0D-30 ! minimum species concentration allowed\n REAL, PARAMETER :: CONCMIN = 1.0E-30 ! minimum species concentration allowed\n REAL, PARAMETER :: MAOMV = 1.0E6 * MWAIR / MWWAT ! Mol Wt of air over Mol Wt of water times 1.0E6\n\nC..External Functions:\n\n\nC..Saved Local Variables:\n\n CHARACTER( 16 ), SAVE :: PNAME = 'HRDRIVER' ! Program name\n\n INTEGER, SAVE :: ISTFL ! Unit no. of iteration stat output file\n LOGICAL, SAVE :: LFIRST = .TRUE. ! Flag for first call to this subroutine\n\n REAL( 8 ), SAVE :: PA2ATM ! Pascal to atm conv fac\n\nC..Scratch Local Variables:\n CHARACTER( 132 ) :: MSG ! Message text\n CHARACTER( 16 ) :: VNAME ! Name of I/O API data variable\n\n INTEGER C, E, L, R, S ! Loop indices\n INTEGER ISP ! array index\n\n INTEGER AVGEBI ! Average no. of EBI iterations\n INTEGER DELT_SEC ! EBI max time step in seconds\n INTEGER ESP ! Loop index for emissions species\n INTEGER ITMSTEP ! Chemistry integration interval (sec)\n INTEGER LEV ! Layer index\n INTEGER MIDDATE ! Date at time step midpoint\n INTEGER MIDTIME ! Time at time step midpoint\n INTEGER NPH ! Index for number of phot. rxns in PHOT\n INTEGER SPC ! Species loop index\n#ifdef hrstats\n INTEGER MNEBI ! Min no. of EBI iterations\n INTEGER MXEBI ! Max no. of EBI iterations\n#endif\n\n LOGICAL LSUNLIGHT ! Flag for sunlight\n\n REAL INV_DENS ! reciprocal of air mass density, m3/Kg\n#ifdef hrstats\n REAL SUMEBI ! Sum of EBI iterations\n#endif\n\n INTERFACE\n SUBROUTINE HRSOLVER( JDATE, JTIME, C, R, L )\n INTEGER, INTENT( IN ) :: JDATE ! Current date (YYYYDDD)\n INTEGER, INTENT( IN ) :: JTIME ! Current time (HHMMSS)\n INTEGER, INTENT( IN ) :: C, R, L ! Cell col, row, lev\n END SUBROUTINE HRSOLVER\n SUBROUTINE HETCHEM_UPDATE_AERO( CGRID )\n REAL, POINTER :: CGRID( :,:,:,: ) ! species concentration in cell\n END SUBROUTINE HETCHEM_UPDATE_AERO\n END INTERFACE\n\nC**********************************************************************\n\n IF( NUMB_MECH_SPC .EQ. 0 ) RETURN\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc On first call, call routines to set-up for EBI solver\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF( LFIRST ) THEN\n\n IF( MECHNAME .NE. 'SAPRC07TIC_AE7I_AQ' ) THEN\n MSG = 'This version of the EBI solver can only be used with'\n & // ' the SAPRC07TIC_AE7I_AQ chemical mechanism'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n#ifdef emis_chem\n EMISVD = .FALSE.\n#else\n EMISVD = .TRUE.\n#endif\n\n IF( INDEX( MECHNAME, 'AE' ) .NE. 0 ) THEN\n L_AE_VRSN = .TRUE.\n ELSE\n L_AE_VRSN = .FALSE.\n END IF\n\n IF( INDEX( MECHNAME, 'AQ' ) .NE. 0 ) THEN\n L_AQ_VRSN = .TRUE.\n ELSE\n L_AQ_VRSN = .FALSE.\n END IF\n\n IF( LIRR ) THEN\n CALL_IRR = .TRUE.\n ELSE\n CALL_IRR = .FALSE.\n END IF\n\n MODEL_SPECIES = NSPCSD ! WTH: find number of model species\n\n! Determine whether DEGRADE rountines are needed.\n\n CALL FIND_DEGRADED( JDATE, JTIME, CALL_DEG )\n IF( CALL_DEG )THEN\n WRITE(LOGDEV,*)'TX DEGRADE ROUTINES USED'\n WRITE(LOGDEV,*)'Mechanism contains degraded species'\n#ifdef verbose_gas\n ELSE\n WRITE(LOGDEV,*)'TX DEGRADE ROUTINES OMITTED'\n WRITE(LOGDEV,*)'MECHANISM does not include degraded species'\n#endif\n END IF\n\n CALL HRINIT\n\n ITMSTEP = TIME2SEC( TSTEP( 2 ) )\n CHEMSTEP = REAL( ITMSTEP, 8 ) / 60.0D0\n WRITE( LOGDEV, 92000 ) CHEMSTEP, DELTAT\n\n WRITE( LOGDEV, 92020 )\n DO SPC = 1, NUMB_MECH_SPC\n WRITE( LOGDEV, 92040 ) CHEMISTRY_SPC( SPC ), RTOL( SPC )\n END DO\n\n PA2ATM = REAL( 1.0 / STDATMPA, 8)\n\nc..If emissions processing requested stop\n IF( .NOT. EMISVD ) THEN ! assumes emis processing in gas chem\n\n MSG = 'ERROR: EBI solver not configured to '//\n & 'process emissions in chemistry'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n\n END IF ! End if doing emissions\n\n\n#ifdef hrstats\n ISTFL = JUNIT()\n OPEN( UNIT=ISTFL, FILE='iterstat.dat' )\n WRITE( ISTFL, 94020 )\n#endif\nC Define processor offsets\n\n PECOL_OFFSET = COLSD_PE( 1, MYPE+1 ) - 1\n PEROW_OFFSET = ROWSD_PE( 1, MYPE+1 ) - 1\n\n ALLOCATE( SEAWATER_ZONE( NCOLS, NROWS ) )\n DO R = 1, NROWS\n DO C = 1, NCOLS\n SEAWATER_ZONE( C,R ) = OCEAN( C,R ) + SZONE( C,R )\n END DO\n END DO\n\n ALLOCATE( DENS( NCOLS, NROWS, NLAYS ), PRES( NCOLS, NROWS, NLAYS ),\n & QV ( NCOLS, NROWS, NLAYS ), TA ( NCOLS, NROWS, NLAYS ),\n & SEAICE( NCOLS, NROWS ) )\n\nC..Initialize shared photolysis data\n CALL INIT_PHOT_SHARED()\n\nC..Determine which cells need IRR\n ALLOCATE( LFLAGIRR ( NCOLS, NROWS, NLAYS ) )\n CALL PA_IRR_CKCELLS ( LFLAGIRR )\n\n#ifdef isam\n NUMB_ISAM_CELLS = 1.0D0 / ( NCOLS * NROWS * NLAYS )\n CALL SA_IRR_INIT\n#endif\n\n#ifdef sens\n CALL INIT_DDM3D_CHEM()\n\nC For higher order sensitivities\n IF ( HIGH ) THEN\n DO RXN = 1, NRXNS\n IF( NREACT( RXN ) .EQ. 1 ) THEN\n ORDER1( RXN ) = .TRUE.\n ELSE\n ORDER1( RXN ) = .FALSE.\n END IF\n END DO\n END IF\n#endif\n\n LFIRST = .FALSE.\n\n END IF ! First time\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC Set date and time to center of time step, get necessary physical\nC data\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n MIDDATE = JDATE\n MIDTIME = JTIME\n ITMSTEP = TIME2SEC( TSTEP( 2 ) )\n CHEMSTEP = REAL( ITMSTEP, 8 ) / 60.0D0\n CALL NEXTIME( MIDDATE, MIDTIME, SEC2TIME( ITMSTEP / 2 ) )\n\nC.. Compute number of time step loops and step size for EBI solver\n DELT_SEC = INT( DELTAT * 60.0D0 + 0.1D0 )\n IF( DELT_SEC .GE. ITMSTEP ) THEN\n N_EBI_STEPS = 2\n EBI_TMSTEP = 0.5D0 * CHEMSTEP\n ELSE\n IF( MOD( ITMSTEP, DELT_SEC ) .EQ. 0 ) THEN\n N_EBI_STEPS = ITMSTEP / DELT_SEC\n ELSE\n N_EBI_STEPS = ITMSTEP / DELT_SEC + 1\n END IF\n EBI_TMSTEP = CHEMSTEP / REAL( N_EBI_STEPS, 8 )\n END IF\n\n N_INR_STEPS = 1\n\n\nC.. Get fractional seaice coverage from the METCRO2D file.\n\n CALL INTERPOLATE_VAR ('SEAICE', MIDDATE, MIDTIME, SEAICE)\n\nC.. Get ambient temperature in K\n\n CALL INTERPOLATE_VAR ('TA', MIDDATE, MIDTIME, TA)\n\nC.. Get specific humidity in Kg H2O / Kg air\n CALL INTERPOLATE_VAR ('QV', MIDDATE, MIDTIME, QV)\n\n! Get ambient MASS DENSITY in Kg/m^3\n CALL INTERPOLATE_VAR ('DENS', MIDDATE, MIDTIME, DENS)\n\nC.. Get pressure in Pascals\n CALL INTERPOLATE_VAR ('PRES', MIDDATE, MIDTIME, PRES)\n\nC.. Get Heteorogeneous rates and Update Aerosol Distribution Properties\n CALL HETCHEM_RATES( TA, PRES, QV, CGRID, DENS )\n\n#ifdef sens\n DATENUM = 1 + JDATE - STARTDATE ! Set the date and hour counters used in sensitivity calls\n\nC For reaction rate sensitivities\n DO NP = 1, NPMAX\n IF ( IPT( NP ) .EQ. 5 ) THEN\n CALL CKTIME( JDATE,JTIME,NP,RXNFLAG(NP) ) ! Rxnflag set to true iff ipt=5 and time, date within bounds\n IF ( IDATE( NP, DATENUM ) .NE. 1 ) RXNFLAG( NP ) = .FALSE.\n ELSE\n RXNFLAG( NP ) = .FALSE.\n END IF\n END DO\n\n#endif sens\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Top of loop over cells\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n#ifdef hrstats\n MNEBI = 1000\n MXEBI = 0\n SUMEBI = 0.0\n#endif\n\n NCELL = 1\n\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n\n DEG_LAY = L\n DEG_ROW = R\n DEG_COL = C\n\nc..reset CALL_IRR based on cell's values\n CALL_IRR = LFLAGIRR( C,R,L )\n\nc..Load ICs\n INV_DENS = 1.0 / DENS( C,R,L )\n DO SPC = 1, NUMB_MECH_SPC\n S = CGRID_INDEX( SPC )\n IF( CONVERT_CONC( SPC ) )THEN\n YC( SPC ) = REAL( MAX( CONCMIN,\n & INV_DENS*FORWARD_CONV( SPC )*CGRID( C,R,L,S )), 8 )\n ELSE\n YC( SPC ) = REAL( MAX( CGRID( C,R,L,S ), CONCMIN), 8 )\n END IF\n END DO\n\n IF(CALL_DEG)THEN ! INITIALIZE degradation routines\n\n YCCELL = 0.0D0\n DO S = 1, MODEL_SPECIES\n YCCELL( S ) = REAL( CGRID(C,R,L,S), 8)\n END DO\n CALL INIT_DEGRADE(YCCELL,TA(C,R,L),DENS(C,R,L),PRES(C,R,L),QV(C,R,L),RJIN(NCELL,:),\n & JDATE, JTIME)\n\n#ifdef isam\n CALL SA_DEGRADE_EXTRACT( C,R,L,DENS(C,R,L) )\n#endif\n END IF\n\nc..Set physical quantities\n TEMP( NCELL ) = REAL( TA( C,R,L ), 8)\n DENSITY( NCELL ) = REAL( DENS( C,R,L ), 8)\n! PRESCELL( NCELL ) = REAL( PRES( C,R,L ), 8)\n ATMPRES( NCELL ) = PA2ATM * REAL( PRES( C,R,L ), 8)\n H2O( NCELL ) = REAL( MAX ( MAOMV * QV( C,R,L ), 0.0 ), 8)\n SEAWATER (NCELL) = MAX ( 0.0D0, ( REAL( SEAWATER_ZONE( C,R ) - SEAICE (C,R) ,8) ) )\n\nc..Get rate constants\n LSUNLIGHT = .FALSE.\n FORALL( NPH = 1:NPHOTAB ) RJIN( NCELL,NPH ) = REAL( RJ( C,R,L,NPH ), 8)\n IF( MAXVAL(RJIN) .GT. 0.0D0 ) LSUNLIGHT = .TRUE.\n\n FORALL ( NPH = 1:NHETERO )HET( NCELL,NPH ) = REAL( KHETERO( NPH,C,R,L ), 8)\n\n CALL CALC_RCONST( TEMP, ATMPRES, H2O, RJIN, HET, LSUNLIGHT, SEAWATER, RKI_SAV, NCELL )\n FORALL( NPH = 1:NRXNS )RKI( NPH ) = RKI_SAV( NCELL, NPH )\n\n#ifdef isam\n#if defined(isam) || defined(verbose_isam)\nC...For diagnosing IRR calculations in log files\n IF( CHECK_ISAM )THEN\n WRITE_CELL = .FALSE.\n IF( C .EQ. MAX(1, NCOLS/2) .AND. R .EQ. MAX(1,NROWS/2) .AND. L .EQ. 1 )THEN\n WRITE_CELL = .TRUE.\n WRITE(LOGDEV,*)'WRITE_CELL = .TRUE.'\n ELSE\n WRITE_CELL = .FALSE.\n END IF\n END IF\n#endif\n CALL SA_IRR_EXTRACT( C, R, L, DENS( C,R,L ),YC )\n#endif\n\nc..Call EBI solver\n N_EBI_IT = 0\n\n CALL HRSOLVER( JDATE, JTIME, C, R, L )\n\n#ifdef hrstats\n MXEBI = MAX( MXEBI, N_EBI_IT )\n MNEBI = MIN( MNEBI, N_EBI_IT )\n SUMEBI = SUMEBI + REAL( N_EBI_IT )\n#endif\n\n\nc..Update concentration array\n DO SPC = 1, NUMB_MECH_SPC\n S = CGRID_INDEX( SPC )\n IF( CONVERT_CONC( SPC ) )THEN\n CGRID( C,R,L,S ) = REAL( REVERSE_CONV( SPC ) * DENS( C,R,L )\n & * MAX( YC( SPC ), DCONMIN), 4)\n ELSE\n CGRID( C,R,L,S ) = REAL( MAX( YC( SPC ), DCONMIN), 4)\n END IF\n END DO\n\n IF(CALL_DEG)THEN ! WTH: update based on degrade routines\n CALL FINAL_DEGRADE(YCCELL)\n UPDATE_DEGRADED: DO SPC = 1, N_REACT\n ISP = RXTANT_MAP( SPC )\n IF( ISP .LE. 0 )CYCLE UPDATE_DEGRADED\n DO S = 1, NUMB_MECH_SPC\n IF( CGRID_INDEX( S ) .EQ. ISP )CYCLE UPDATE_DEGRADED\n END DO\n CGRID(C,R,L,ISP) = REAL( YCCELL(ISP), 4)\n END DO UPDATE_DEGRADED\n#ifdef isam\n CALL SA_DEGRADE_UPLOAD( C,R,L,DENS(C,R,L) )\n#endif\n END IF\n\n#ifdef isam\n CALL SA_IRR_UPLOAD( C, R, L, DENS( C,R,L ), YC )\n#endif\n\nc..update irrout arrays if needed\n IF ( LFLAGIRR( C,R,L ) )CALL PA_IRR_CELLENDF( C, R, L )\n#ifdef sens\n DO RXN = 1, NRXNS\n SRK( RXN ) = RKI( RXN )\n IF ( HIGH ) THEN\n IF ( ORDER1 (RXN ) ) THEN\n SRK2( RXN ) = 0.0\n ELSE\n SRK2( RXN ) = RKI( RXN )\n END IF\n END IF\n END DO\n\n\n CALL SOLVE_DDM3D_CHEM( C,R,L,CHEMSTEP )\n#endif\n\n END DO\n END DO\n END DO\n\n! Update Aerosol Surface Area\n CALL HETCHEM_UPDATE_AERO( CGRID )\n\n#ifdef hrstats\n AVGEBI = SUMEBI / REAL( NCOLS * NROWS * NLAYS )\n WRITE( ISTFL, 94040 ) JDATE, JTIME, MNEBI, AVGEBI, MXEBI\n#endif\n\n RETURN\n\nC*********************** FORMAT STATEMENTS ****************************\n\n92000 FORMAT( / 10X, 'Euler Backward Iterative Parameters -'\n & / 10X, 'Chemistry Integration Time Interval (min):', F12.4,\n & / 10X, 'EBI maximum time step (min): ', F12.4 )\n\n92020 FORMAT( //10X, 'Species convergence tolerances:' )\n\n92040 FORMAT( 10X, A16, 2X, 1PE12.2 )\n\n92060 FORMAT( / 10X, 'Emissions Processing in Chemistry ...'\n & / 10X, 'Number of Emissions Layers: ', I3\n & / 10X, 'out of total Number of Model Layers:', I3 )\n\n\n94020 FORMAT( 'DATE TIME ', 'MNEBI AVEBI MXEBI' )\n\n94040 FORMAT( I7, 1X, I6, 1X, 3( I5, 1X ) )\n END\n" }, { "path": "CCTM/src/gas/ebi_saprc07tic_ae7i_aq/hrg1.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\n SUBROUTINE HRG1( DTC )\n\nC**********************************************************************\nC\nC FUNCTION: To solve for the concentration of NO2, NO, O3, and O3P\nC algebraically.\nC\nC PRECONDITIONS: For the SAPRC07TIC_AE7I_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 8, 2022\nC\nC 18 Jul 14 B.Hutzell: revised to use real(8) variables\nC 01 Jun 18 B.Hutzell: replaced steady solution for O1D with backward Euler\nC approximation. To match conditions where the initial\nC concentration cannot be neglected.\nC**********************************************************************\n USE HRDATA\n\n IMPLICIT NONE\n\n\nC..INCLUDES: None\n\n\nC..ARGUMENTS:\n REAL( 8 ), INTENT( IN ) :: DTC ! Time step\n\n\nC..PARAMETERS: None\n\n\nC..EXTERNAL FUNCTIONS: NONE\n\n\nC..SAVED LOCAL VARIABLES:\n! CHARACTER( 16 ), SAVE :: PNAME = 'HRG1' ! Prgram Name\n\n\nC..SCRATCH LOCAL VARIABLES:\n REAL( 8 ) :: O1D_S ! sum of O1D loss frequencies\n REAL( 8 ) :: O3P_S ! stoich coeff for O3P from O1D\n\n\n\n REAL( 8 ) :: R1_2 ! production term for NO from NO2\n REAL( 8 ) :: R2_1 ! production term for NO2 from NO\n REAL( 8 ) :: P1, P2, P3, P12 ! production terms for NO, NO2, O3, & O3P\n REAL( 8 ) :: L1, L2, L3, L12 ! loss terms for NO, NO2, O3, O3P\n REAL( 8 ) :: L1_INV, L2_INV,\n & L3_INV, L12_INV ! inverse of loss terms\n\n REAL( 8 ) :: T1, T2, T3, T4, T5 ! intermerdiate terms\n REAL( 8 ) :: F1, F2, F3 ! intermerdiate terms\n REAL( 8 ) :: A, B, C ! coefficients for quadratic equation\n REAL( 8 ) :: Q, XX, S1, S2 ! intermerdiate terms\n\n REAL( 8 ) :: RK1, RK2, RK3 ! rate constants\n\n REAL( 8 ) :: PO3 ! temp variable for O3\n\nC**********************************************************************\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc O1D Section\nc 1) sum of the rate constants for all O1D loss reactions\nc 2) get fractional yield of O3P from O1D loss\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n O1D_S = RKI( 20 ) ! O1D=0.2000D+01*OH\n & + RKI( 21 ) ! O1D=O3P\n\n O3P_S = RKI( 21 ) ! O1D=O3P\n\n O3P_S = O3P_S / O1D_S\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc NO Section\nc R1_2 = production of NO from NO2 ( rates of form k[NO2][x] )\nc except NO2+NO3=NO+NO2 (it is treated as if it were NO3=NO )\nc P1 = remaining NO production terms\nc L1 = loss of NO (except rxns producing NO2 - they are in R2_1)\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n R1_2 = RKI( 1 ) ! NO2=NO+O3P\n & + RKI( 5 ) * YC ( O3P ) ! NO2+O3P=NO\n R1_2 = R1_2 * DTC\n\n\n P1 = RXRAT( 15 ) ! NO2+NO3=NO+NO2\n & + RXRAT( 16 ) ! NO3=NO\n & + RXRAT( 23 ) ! HONO=NO+OH\n & + RXRAT( 589 ) ! CLNO=NO+CL\n P1 = YC0( NO ) + P1 * DTC\n\n\n L1 = RKI( 22 ) * YC ( OH ) ! NO+OH=HONO\n & + RKI( 57 ) * YC ( RO2XC ) ! NO+RO2XC=\n & + 1.7300D-01 * RKI( 571 ) * YC ( TERPNRO2 ) ! NO+TERPNRO2=...\n & + RKI( 588 ) * YC ( CL ) ! NO+CL=CLNO\n & + 1.1700D-01 * RKI( 710 ) * YC ( ISOPO2 ) ! NO+ISOPO2=...\n & + 6.0000D-02 * RKI( 757 ) * YC ( NIT1NO3OOB ) ! NO+NIT1NO3OOB=...\n & + 6.6000D-02 * RKI( 764 ) * YC ( NIT1OHOO ) ! NO+NIT1OHOO=...\n & + 1.1000D-01 * RKI( 775 ) * YC ( MVKOO ) ! NO+MVKOO=0.6250D+...\n & + 1.5000D-01 * RKI( 780 ) * YC ( MACROO ) ! NO+MACROO=...\n L1 = 1.0D0 + L1 * DTC\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc NO2 Section\nc R2_1 = production of NO2 from NO ( rates of form k[NO][x] )\nc a) NO+O3=NO2 not included\nc b) NO+NO3=2NO2 ( 1/2 of NO2 formation rate included )\nc c) NO3+NO2=NO+NO2 is not included for NO2\nc P2 = remaining NO2 production terms \nc a) NO+O3=NO2 not included\nc b) NO+NO3=2NO2 (1/2 of NO2 formation rate included )\nc L2 = loss of NO2 (except rxns producing NO2 - they are in R1_2)\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n R2_1 = RKI( 4 ) * YC ( O3P ) ! NO+O3P=NO2\n & + RKI( 9 ) * YC ( NO3 ) ! NO+NO3=0.2000D+...\n & + 2.0000D+00 * RKI( 10 ) * YC ( NO ) ! NO+NO=0.2000D+01*NO2\n & + RKI( 31 ) * YC ( HO2 ) ! NO+HO2=NO2+OH\n & + RKI( 46 ) * YC ( MEO2 ) ! NO+MEO2=NO2+HCHO+HO2\n & + RKI( 52 ) * YC ( RO2C ) ! NO+RO2C=NO2\n & + RKI( 66 ) * YC ( MECO3 ) ! NO+MECO3=NO2+CO2+...\n & + RKI( 76 ) * YC ( RCO3 ) ! NO+RCO3=NO2+RO2C+...\n & + RKI( 87 ) * YC ( BZCO3 ) ! NO+BZCO3=NO2+CO2+...\n & + RKI( 268 ) * YC ( HCOCO3 ) ! NO+HCOCO3=NO2+CO+...\n & + 8.2700D-01 * RKI( 571 ) * YC ( TERPNRO2 ) ! NO+TERPNRO2=...\n & + RKI( 598 ) * YC ( CLO ) ! NO+CLO=NO2+CL\n & + 8.8300D-01 * RKI( 710 ) * YC ( ISOPO2 ) ! NO+ISOPO2=...\n & + RKI( 721 ) * YC ( NISOPO2 ) ! NO+NISOPO2=...\n & + RKI( 728 ) * YC ( HC5OO ) ! NO+HC5OO=NO2+...\n & + RKI( 735 ) * YC ( ISOPNOOD ) ! NO+ISOPNOOD=...\n & + RKI( 742 ) * YC ( ISOPNOOB ) ! NO+ISOPNOOB=...\n & + RKI( 750 ) * YC ( NIT1NO3OOA ) ! NO+NIT1NO3OOA=...\n & + 9.4000D-01 * RKI( 757 ) * YC ( NIT1NO3OOB ) ! NO+NIT1NO3OOB=...\n & + 9.3400D-01 * RKI( 764 ) * YC ( NIT1OHOO ) ! NO+NIT1OHOO=...\n & + RKI( 769 ) * YC ( DIBOO ) ! NO+DIBOO=NO2+HO2+...\n & + 8.9000D-01 * RKI( 775 ) * YC ( MVKOO ) ! NO+MVKOO=0.8900D+...\n & + 8.5000D-01 * RKI( 780 ) * YC ( MACROO ) ! NO+MACROO=...\n & + RKI( 785 ) * YC ( MACO3 ) ! NO+MACO3=NO2+CO+...\n & + RKI( 815 ) * YC ( IEPOXOO ) ! NO+IEPOXOO=NO2+...\n & + RKI( 827 ) * YC ( IMACO3 ) ! NO+IMACO3=NO2+CO+...\n R2_1 = R2_1 * DTC\n\n\n P2 = RXRAT( 9 ) ! NO+NO3=0.2000D+01*NO2\n & + RXRAT( 12 ) ! N2O5=NO2+NO3\n & + RXRAT( 17 ) ! NO3=NO2+O3P\n & + RXRAT( 24 ) ! OH+HONO=NO2\n & + RXRAT( 26 ) ! OH+NO3=NO2+HO2\n & + RXRAT( 28 ) ! HNO3=NO2+OH\n & + RXRAT( 33 ) ! HNO4=NO2+HO2\n & + 6.1000D-01 * RXRAT( 34 ) ! HNO4=0.6100D+00*NO2+...\n & + RXRAT( 35 ) ! HNO4+OH=NO2\n & + 8.0000D-01 * RXRAT( 39 ) ! NO3+HO2=0.8000D+...\n & + 2.0000D+00 * RXRAT( 40 ) ! NO3+NO3=0.2000D+01*NO2\n & + RXRAT( 49 ) ! MEO2+NO3=NO2+HO2+HCHO\n & + RXRAT( 54 ) ! RO2C+NO3=NO2\n & + RXRAT( 59 ) ! RO2XC+NO3=NO2\n & + RXRAT( 64 ) ! PAN=NO2+MECO3\n & + 6.0000D-01 * RXRAT( 65 ) ! PAN=0.6000D+00*NO2+...\n & + RXRAT( 68 ) ! MECO3+NO3=NO2+CO2+MEO2\n & + RXRAT( 74 ) ! PAN2=NO2+RCO3\n & + 6.0000D-01 * RXRAT( 75 ) ! PAN2=0.6000D+00*NO2+...\n & + RXRAT( 78 ) ! RCO3+NO3=NO2+RO2C+...\n & + RXRAT( 85 ) ! PBZN=NO2+BZCO3\n & + 6.0000D-01 * RXRAT( 86 ) ! PBZN=0.6000D+00*NO2+...\n & + RXRAT( 89 ) ! BZCO3+NO3=NO2+CO2+BZO+...\n & + RXRAT( 97 ) ! MAPAN=NO2+MACO3\n & + 6.0000D-01 * RXRAT( 98 ) ! MAPAN=0.6000D+00*NO2+...\n & + RXRAT( 124 ) ! NO+xNO2=NO2+NO\n & + RXRAT( 126 ) ! xNO2+NO3=NO2+NO3\n & + 5.0000D-01 * RXRAT( 127 ) ! xNO2+MEO2=0.5000D+...\n & + 5.0000D-01 * RXRAT( 128 ) ! xNO2+RO2C=0.5000D+...\n & + 5.0000D-01 * RXRAT( 129 ) ! xNO2+RO2XC=0.5000D+...\n & + RXRAT( 130 ) ! xNO2+MECO3=NO2+MECO3\n & + RXRAT( 131 ) ! xNO2+RCO3=NO2+RCO3\n & + RXRAT( 132 ) ! xNO2+BZCO3=NO2+BZCO3\n & + RXRAT( 133 ) ! xNO2+MACO3=NO2+MACO3\n & + 1.9000D-02 * RXRAT( 255 ) ! RNO3+OH=0.1900D-...\n & + RXRAT( 256 ) ! RNO3=NO2+0.5540D+...\n & + 1.5310D+00 * RXRAT( 573 ) ! TERPNRO2+NO3=0.1531D+...\n & + 2.6600D-01 * RXRAT( 574 ) ! TERPNRO2+MEO2=0.2660D+...\n & + 2.6600D-01 * RXRAT( 575 ) ! TERPNRO2+RO2C=0.2660D+...\n & + 2.6600D-01 * RXRAT( 576 ) ! TERPNRO2+RO2XC=...\n & + 5.3100D-01 * RXRAT( 577 ) ! TERPNRO2+MECO3=...\n & + 5.3100D-01 * RXRAT( 578 ) ! TERPNRO2+RCO3=0.5310D+...\n & + 5.3100D-01 * RXRAT( 579 ) ! TERPNRO2+BZCO3=...\n & + 5.3100D-01 * RXRAT( 580 ) ! TERPNRO2+MACO3=...\n & + 5.3100D-01 * RXRAT( 581 ) ! TERPNRO2+IMACO3=...\n & + RXRAT( 592 ) ! CLONO=NO2+CL\n & + RXRAT( 593 ) ! CLNO2=NO2+CL\n & + RXRAT( 597 ) ! CL+NO3=NO2+CLO\n & + RXRAT( 600 ) ! CLONO2=NO2+CLO\n & + RXRAT( 602 ) ! CLONO2=NO2+CLO\n & + 3.8000D-02 * RXRAT( 615 ) ! RNO3+CL=0.3800D-...\n & + 1.3000D+00 * RXRAT( 720 ) ! NISOPO2+NO3=0.1300D+...\n & + 3.0000D-01 * RXRAT( 721 ) ! NO+NISOPO2=0.1300D+...\n & + 1.5000D-01 * RXRAT( 723 ) ! NISOPO2+MEO2=0.1500D+...\n & + 1.5000D-01 * RXRAT( 724 ) ! NISOPO2+RO2C=0.1500D+...\n & + 3.0000D-01 * RXRAT( 725 ) ! NISOPO2+NISOPO2=...\n & + 3.0000D-01 * RXRAT( 726 ) ! NISOPO2+MECO3=0.3000D+...\n & + 3.4000D-01 * RXRAT( 735 ) ! NO+ISOPNOOD=0.1340D+...\n & + 1.7000D-01 * RXRAT( 737 ) ! ISOPNOOD+MEO2=0.1700D+...\n & + 1.7000D-01 * RXRAT( 738 ) ! ISOPNOOD+RO2C=0.1700D+...\n & + 3.4000D-01 * RXRAT( 739 ) ! ISOPNOOD+MECO3=...\n & + 3.6000D-01 * RXRAT( 740 ) ! ISOPND+O3=0.3600D+...\n & + 6.0000D-01 * RXRAT( 742 ) ! NO+ISOPNOOB=0.1600D+...\n & + 3.0000D-01 * RXRAT( 744 ) ! ISOPNOOB+MEO2=0.3000D+...\n & + 3.0000D-01 * RXRAT( 745 ) ! ISOPNOOB+RO2C=0.3000D+...\n & + 6.0000D-01 * RXRAT( 746 ) ! ISOPNOOB+MECO3=...\n & + 2.8000D-01 * RXRAT( 747 ) ! ISOPNB+O3=0.2800D+...\n & + RXRAT( 749 ) ! NIT1NO3OOA+NO3=NO2+...\n & + RXRAT( 756 ) ! NIT1NO3OOB+NO3=NO2+...\n & + 7.0000D-01 * RXRAT( 762 ) ! NIT1+O3=0.7000D+...\n & + RXRAT( 787 ) ! MACO3+NO3=NO2+CO+CO2+...\n & + RXRAT( 795 ) ! MAPAN+OH=NO2+CO+HACET\n & + RXRAT( 799 ) ! ETHLN+OH=NO2+CO2+HCHO\n & + RXRAT( 800 ) ! ETHLN=NO2+HCHO+HO2+CO\n & + RXRAT( 801 ) ! PROPNN+OH=NO2+MGLY\n & + RXRAT( 802 ) ! ISOPNN+OH=NO2+PROPNN\n & + RXRAT( 803 ) ! PROPNN=NO2+HCHO+MECO3\n & + 2.0000D+00 * RXRAT( 804 ) ! ISOPNN=0.2000D+01*NO2+...\n & + RXRAT( 806 ) ! MVKN=NO2+MECO3+HOCCHO\n & + 8.5000D-01 * RXRAT( 807 ) ! MACRN+OH=0.8500D+...\n & + RXRAT( 808 ) ! MACRN=NO2+HACET+CO+HO2\n & + RXRAT( 820 ) ! RNO3I+OH=NO2+HO2+PRD2\n & + RXRAT( 829 ) ! IMACO3+NO3=NO2+CO+CO2+...\n & + RXRAT( 840 ) ! IMAPAN=NO2+IMACO3\n & + 6.0000D-01 * RXRAT( 841 ) ! IMAPAN=0.6000D+00*NO2+...\n & + RXRAT( 848 ) ! xNO2+IMACO3=NO2+IMACO3\n & + 3.8000D-02 * RXRAT( 881 ) ! MTNO3+CL=0.3800D-...\n & + 1.9000D-02 * RXRAT( 882 ) ! MTNO3+OH=0.1900D-...\n & + RXRAT( 883 ) ! MTNO3=NO2+0.5540D+...\n P2 = YC0( NO2 ) + P2 * DTC\n\n\n L2 = RKI( 6 ) * YC ( O3P ) ! NO2+O3P=NO3\n & + RKI( 8 ) * YC ( O3 ) ! NO2+O3=NO3\n & + RKI( 11 ) * YC ( NO3 ) ! NO2+NO3=N2O5\n & + RKI( 25 ) * YC ( OH ) ! NO2+OH=HNO3\n & + RKI( 32 ) * YC ( HO2 ) ! NO2+HO2=HNO4\n & + RKI( 63 ) * YC ( MECO3 ) ! NO2+MECO3=PAN\n & + RKI( 73 ) * YC ( RCO3 ) ! NO2+RCO3=PAN2\n & + RKI( 84 ) * YC ( BZCO3 ) ! NO2+BZCO3=PBZN\n & + RKI( 96 ) * YC ( MACO3 ) ! NO2+MACO3=MAPAN\n & + RKI( 99 ) * YC ( TBUO ) ! NO2+TBUO=RNO3\n & + RKI( 101 ) * YC ( BZO ) ! NO2+BZO=NPHE\n & + RKI( 269 ) * YC ( HCOCO3 ) ! NO2+HCOCO3=HO2+...\n & + RKI( 590 ) * YC ( CL ) ! NO2+CL=CLONO\n & + RKI( 591 ) * YC ( CL ) ! NO2+CL=CLNO2\n & + RKI( 599 ) * YC ( CLO ) ! NO2+CLO=CLONO2\n & + RKI( 751 ) * YC ( NIT1NO3OOA ) ! NO2+NIT1NO3OOA=MAPAN\n & + RKI( 839 ) * YC ( IMACO3 ) ! NO2+IMACO3=IMAPAN\n & + RKI( 884 ) ! NO2=0.5000D+...\n L2 = 1.0D0 + L2 * DTC\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc O3 Section\nc P3 = production of O3 except O+O2=O3\nc L3 = loss terms for O3 except NO+O3=NO2\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n P3 = 1.5000D-01 * RXRAT( 67 ) ! MECO3+HO2=0.1500D+...\n & + 1.5000D-01 * RXRAT( 77 ) ! RCO3+HO2=0.1500D+...\n & + 1.5000D-01 * RXRAT( 88 ) ! BZCO3+HO2=0.1500D+...\n & + 1.5000D-01 * RXRAT( 270 ) ! HCOCO3+HO2=0.1500D+...\n & + 2.5000D-01 * RXRAT( 752 ) ! NIT1NO3OOA+HO2=...\n & + 1.5000D-01 * RXRAT( 786 ) ! MACO3+HO2=0.1500D+...\n & + 2.5000D-01 * RXRAT( 828 ) ! IMACO3+HO2=0.2500D+...\n P3 = YC0( O3 ) + P3 * DTC\n\n\n L3 = RKI( 3 ) * YC ( O3P ) ! O3+O3P=\n & + RKI( 8 ) * YC ( NO2 ) ! O3+NO2=NO3\n & + RKI( 18 ) ! O3=O1D\n & + RKI( 19 ) ! O3=O3P\n & + RKI( 30 ) * YC ( OH ) ! O3+OH=HO2\n & + RKI( 36 ) * YC ( HO2 ) ! O3+HO2=OH\n & + RKI( 237 ) * YC ( AFG1 ) ! O3+AFG1=0.8260D+...\n & + RKI( 240 ) * YC ( AFG2 ) ! O3+AFG2=0.8260D+...\n & + RKI( 243 ) * YC ( AFG3 ) ! O3+AFG3=0.4710D+...\n & + RKI( 244 ) * YC ( MACR ) ! O3+MACR=0.2080D+...\n & + RKI( 246 ) * YC ( MVK ) ! O3+MVK=0.1640D+...\n & + RKI( 250 ) * YC ( IPRD ) ! O3+IPRD=0.2850D+...\n & + RKI( 260 ) * YC ( ACROLEIN ) ! O3+ACROLEIN=...\n & + RKI( 525 ) * YC ( ETHENE ) ! O3+ETHENE=...\n & + RKI( 529 ) * YC ( PROPENE ) ! O3+PROPENE=...\n & + RKI( 533 ) * YC ( BUTADIENE13 ) ! O3+BUTADIENE13=...\n & + RKI( 536 ) * YC ( ISOPRENE ) ! O3+ISOPRENE=...\n & + RKI( 539 ) * YC ( APIN ) ! O3+APIN=0.9000D-...\n & + RKI( 543 ) * YC ( ACETYLENE ) ! O3+ACETYLENE=...\n & + RKI( 558 ) * YC ( OLE1 ) ! O3+OLE1=0.9500D-...\n & + RKI( 562 ) * YC ( OLE2 ) ! O3+OLE2=0.9400D-...\n & + RKI( 569 ) * YC ( TERP ) ! O3+TERP=0.7800D-...\n & + RKI( 584 ) * YC ( SESQ ) ! O3+SESQ=0.7800D-...\n & + RKI( 596 ) * YC ( CL ) ! O3+CL=CLO\n & + RKI( 733 ) * YC ( HC5 ) ! O3+HC5=0.5000D+...\n & + RKI( 740 ) * YC ( ISOPND ) ! O3+ISOPND=...\n & + RKI( 747 ) * YC ( ISOPNB ) ! O3+ISOPNB=...\n & + RKI( 762 ) * YC ( NIT1 ) ! O3+NIT1=0.3000D+...\n & + RKI( 892 ) ! O3=\n L3 = 1.0D0 + L3 * DTC\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc O3P Section \nc P12 = production of O3P except NO2+hv=O3P (J1)\nc L12 = loss terms\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n P12 = RXRAT( 17 ) ! NO3=O3P+NO2\n & + O3P_S * RXRAT( 18 ) ! O3=O1D\n & + RXRAT( 19 ) ! O3=O3P\n P12 = YC0( O3P ) + P12 * DTC\n\n\n L12 = RKI( 2 ) ! O3P=O3\n & + RKI( 3 ) * YC ( O3 ) ! O3P+O3=\n & + RKI( 4 ) * YC ( NO ) ! O3P+NO=NO2\n & + RKI( 5 ) * YC ( NO2 ) ! O3P+NO2=NO\n & + RKI( 6 ) * YC ( NO2 ) ! O3P+NO2=NO3\n & + RKI( 245 ) * YC ( MACR ) ! O3P+MACR=RCHO\n & + RKI( 247 ) * YC ( MVK ) ! O3P+MVK=0.4500D+...\n & + RKI( 262 ) * YC ( ACROLEIN ) ! O3P+ACROLEIN=RCHO\n & + RKI( 527 ) * YC ( ETHENE ) ! O3P+ETHENE=0.8000D+...\n & + RKI( 531 ) * YC ( PROPENE ) ! O3P+PROPENE=0.4500D+...\n & + RKI( 535 ) * YC ( BUTADIENE13 ) ! O3P+BUTADIENE13=...\n & + RKI( 537 ) * YC ( ISOPRENE ) ! O3P+ISOPRENE=0.2500D+...\n & + RKI( 541 ) * YC ( APIN ) ! O3P+APIN=PRD2+TRPRXN\n & + RKI( 560 ) * YC ( OLE1 ) ! O3P+OLE1=0.4500D+...\n & + RKI( 564 ) * YC ( OLE2 ) ! O3P+OLE2=0.7900D-...\n & + RKI( 582 ) * YC ( TERP ) ! O3P+TERP=0.2370D+...\n & + RKI( 586 ) * YC ( SESQ ) ! O3P+SESQ=0.2370D+...\n L12 = 1.0D0 + L12 * DTC\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Solution section\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\nc..compute reciprocal of loss terms\n L1_INV = 1.0D0 / L1\n L2_INV = 1.0D0 / L2\n L3_INV = 1.0D0 / L3\n L12_INV = 1.0D0 / L12\n\nc..compute specific k*delta t terms\n RK1 = RKI( 1 ) * DTC ! J1 (NO2+hv=NO+O3P)\n RK2 = RKI( 2 ) * DTC ! J2 (O3P+O2=O3)\n RK3 = RKI( 7 ) * DTC ! k1_3 (NO+O3=NO2)\n\nc..compute terms that are used to calulate a,b & c\n T1 = RK1 * L2_INV ! J1 / ( 1.0 + Lno2 * dt )\n T2 = R1_2 * L2_INV ! r1,2 / ( 1.0 + Lno2 * dt)\n T3 = R2_1 * L1_INV ! r2,1 / ( 1.0 + Lno * dt)\n T4 = RK2 * L12_INV ! J2 / ( 1.0 + Lo3p * dt )\n T5 = T3 * P1 - T2 * P2 ! T3 * Pno - T2 * Pno2\n\n F1 = 1.0D0 + T2 + T3 ! factor in calculating a & b\n F2 = T1 * T4 ! factor in calculating a & b\n F3 = L3 * L1 + RK3 * P1 ! (1 + Lo3 * dt) (1 + lno * dt )\n ! + k1,3 * dt * Pno\n\n PO3 = P3 + P12 * T4\n\n A = RK3 * ( F1 - F2 )\n\n B = F1 * F3 + RK3 * ( F2 * ( P2 - P1 ) + PO3 + T5 )\n\n C = RK3 * P1 * ( PO3 + P2 * F2 ) + F3 * T5\n\n Q = -0.5D0 * ( B + SIGN( 1.0D0, B ) * SQRT( B * B - 4.0D0 * A * C ) )\n\n XX = MAX( Q / A , C / Q )\n\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Species solutions\nc [NO] = ( P1 + x ) / ( 1 + L1 )\nc [NO2] = ( P2 - x ) / ( 1 + L2 )\nc [O3 ] = ( P3 + Ko3p->O3 ) / (1 + K1,3 * [NO] + L3 )\nc [O3P] = ( P12 + J1 * [NO2] ) / ( 1 + L12 )\nc [O1D] = ( yc0(o1d) + Ko3->o1d * [O3] *dtc) / ( 1 + O1D_S*dtc )\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n YCP( NO ) = MAX( 0.0D0, ( P1 + XX ) * L1_INV )\n\n YCP( NO2 ) = MAX( 0.0D0, ( P2 - XX ) * L2_INV )\n\n S1 = P12 + RK1 * YCP( NO2 )\n\n S2 = T4 * S1\n\n YCP( O3 ) = ( P3 + S2 ) / ( L3 + RK3 * YCP( NO ) )\n\n YCP( O3P ) = S1 * L12_INV\n\n YCP( O1D ) = ( YC0( O1D ) + RKI( 18 ) * YCP( O3 ) * DTC ) \n & / ( 1.0D0 + O1D_S * DTC )\n\n RETURN\n\n END\n\n\n" }, { "path": "CCTM/src/gas/ebi_saprc07tic_ae7i_aq/hrg2.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\n SUBROUTINE HRG2( DTC )\nC**********************************************************************\nC\nC FUNCTION: To solve for the concentration of HO, HO2, HONO, and\nC HNO4 alebraically.\nC\nC PRECONDITIONS: For the SAPRC07TIC_AE7I_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 8, 2022\nC\nC 18 Jul 14 B.Hutzell: revised to use real(8) variables\nC**********************************************************************\n USE HRDATA\n\n IMPLICIT NONE\n\n\nC..INCLUDES: None\n\n\nC..ARGUMENTS:\n REAL( 8 ), INTENT( IN ) :: DTC ! Time step\n\nC..PARAMETERS: None\n\n\nC..EXTERNAL FUNCTIONS: NONE\n\n\nC..SAVED LOCAL VARIABLES:\n! CHARACTER( 16 ), SAVE :: PNAME = 'HRG2' ! Program name\n\n\nC..SCRATCH LOCAL VARIABLES:\n REAL( 8 ) :: O1D_S ! sum of O1D loss frequencies\n REAL( 8 ) :: OH_S ! stoich coeff for OH from O1D+H2O or H2\n REAL( 8 ) :: HO2_S ! stoich coeff for HO2 from O1D+H2 rxn\n REAL( 8 ) :: XOH_S ! stoich coeff for OH & HONO from NO2EX loss rxn\n REAL( 8 ) :: R4_19 ! production of OH from HONO\n REAL( 8 ) :: R19_4 ! production of HONO from OH\n REAL( 8 ) :: R4_5 ! production of OH from HO2\n REAL( 8 ) :: R5_4 ! production of HO2 from OH\n REAL( 8 ) :: R5_21 ! production of HO2 from HNO4\n REAL( 8 ) :: R21_5 ! production of HNO4 from HO2\n REAL( 8 ) :: P4, P5, P19, P21 ! species production form other paths\n REAL( 8 ) :: L4, L5, L19, L21 ! species loss terms\n\n REAL( 8 ) :: A, B, C ! coeffs of quadratic eq. for HO2\n REAL( 8 ) :: Q ! intermediate term\n\n REAL( 8 ) :: T1, T2, T3 ! intermediate terms\n\n REAL( 8 ) :: L21_INV ! reciprocal of HNO4 loss term\n\nC**********************************************************************\n\n\nc..stoichiometric coefficient for production of HOX from O3 via O1D\n O1D_S = RKI( 20 ) ! O1D=0.2000D+01*OH\n & + RKI( 21 ) ! O1D=O3P\n\n OH_S = 2.0000D+00 * RKI( 20 ) ! O1D=0.2000D+01*OH\n\n OH_S = OH_S / O1D_S\n\n\nc..Production of HO from HO2 (r4,5 terms )\n R4_5 = RKI( 31 ) * YC ( NO ) ! HO2+NO=OH+NO2\n & + RKI( 36 ) * YC ( O3 ) ! HO2+O3=OH\n & + 8.0000D-01 * RKI( 39 ) * YC ( NO3 ) ! HO2+NO3=0.8000D+...\n & + 4.4000D-01 * RKI( 67 ) * YC ( MECO3 ) ! HO2+MECO3=...\n & + 4.4000D-01 * RKI( 77 ) * YC ( RCO3 ) ! HO2+RCO3=0.4400D+...\n & + 4.4000D-01 * RKI( 88 ) * YC ( BZCO3 ) ! HO2+BZCO3=...\n & + 4.4000D-01 * RKI( 270 ) * YC ( HCOCO3 ) ! HO2+HCOCO3=...\n & + RKI( 595 ) * YC ( CL ) ! HO2+CL=OH+CLO\n & + 1.2000D-01 * RKI( 711 ) * YC ( ISOPO2 ) ! HO2+ISOPO2=...\n & + 4.4000D-01 * RKI( 786 ) * YC ( MACO3 ) ! HO2+MACO3=...\n & + 1.7500D-01 * RKI( 814 ) * YC ( IEPOXOO ) ! HO2+IEPOXOO=...\n\n R4_5 = R4_5 * DTC\n\nc..Production of HO from HONO (r4,19 terms )\n R4_19 = RKI( 23 ) ! HONO=OH+NO\n\n R4_19 = R4_19 * DTC\n\nc..Remaining HO production\n P4 = OH_S * RXRAT( 18 ) ! O1D=0.2000D+01*OH\n & + RXRAT( 28 ) ! HNO3=OH+NO2\n & + 3.9000D-01 * RXRAT( 34 ) ! HNO4=0.3900D+00*OH+0.6100D+...\n & + 2.0000D+00 * RXRAT( 41 ) ! HO2H=0.2000D+01*OH\n & + RXRAT( 114 ) ! xOH+NO=OH+NO\n & + RXRAT( 116 ) ! xOH+NO3=OH+NO3\n & + 5.0000D-01 * RXRAT( 117 ) ! xOH+MEO2=0.5000D+00*OH+MEO2\n & + 5.0000D-01 * RXRAT( 118 ) ! xOH+RO2C=0.5000D+00*OH+RO2C\n & + 5.0000D-01 * RXRAT( 119 ) ! xOH+RO2XC=0.5000D+00*OH+RO2XC\n & + RXRAT( 120 ) ! xOH+MECO3=OH+MECO3\n & + RXRAT( 121 ) ! xOH+RCO3=OH+RCO3\n & + RXRAT( 122 ) ! xOH+BZCO3=OH+BZCO3\n & + RXRAT( 123 ) ! xOH+MACO3=OH+MACO3\n & + RXRAT( 213 ) ! COOH=OH+HO2+HCHO\n & + RXRAT( 215 ) ! ROOH=OH+HO2+RCHO\n & + RXRAT( 217 ) ! R6OOH=OH+0.1420D+00*HO2+...\n & + RXRAT( 219 ) ! RAOOH=OH+HO2+0.5000D+...\n & + 8.2600D-01 * RXRAT( 237 ) ! AFG1+O3=0.8260D+00*OH+...\n & + 8.2600D-01 * RXRAT( 240 ) ! AFG2+O3=0.8260D+00*OH+...\n & + 4.7100D-01 * RXRAT( 243 ) ! AFG3+O3=0.4710D+00*OH+...\n & + 2.0800D-01 * RXRAT( 244 ) ! MACR+O3=0.2080D+00*OH+...\n & + 1.6400D-01 * RXRAT( 246 ) ! MVK+O3=0.1640D+00*OH+...\n & + 2.8500D-01 * RXRAT( 250 ) ! IPRD+O3=0.2850D+00*OH+...\n & + 3.3000D-01 * RXRAT( 260 ) ! ACROLEIN+O3=0.3300D+00*OH+...\n & + 1.7800D-01 * RXRAT( 263 ) ! ACROLEIN=0.1780D+00*OH+...\n & + RXRAT( 265 ) ! CCOOOH=OH+CO2+MEO2\n & + RXRAT( 267 ) ! RCOOOH=OH+xCCHO+yROOH+CO2+xHO2\n & + 1.6000D-01 * RXRAT( 525 ) ! ETHENE+O3=0.1600D+00*OH+...\n & + 3.5000D-01 * RXRAT( 529 ) ! PROPENE+O3=0.3500D+00*OH+...\n & + 8.0000D-02 * RXRAT( 533 ) ! BUTADIENE13+O3=0.8000D-...\n & + 2.6600D-01 * RXRAT( 536 ) ! ISOPRENE+O3=0.2660D+00*OH+...\n & + 7.2800D-01 * RXRAT( 539 ) ! APIN+O3=0.7280D+00*OH+...\n & + 5.0000D-01 * RXRAT( 543 ) ! ACETYLENE+O3=0.5000D+00*OH+...\n & + 1.2800D-01 * RXRAT( 558 ) ! OLE1+O3=0.1280D+00*OH+...\n & + 4.4300D-01 * RXRAT( 562 ) ! OLE2+O3=0.4430D+00*OH+...\n & + 4.9900D-01 * RXRAT( 569 ) ! TERP+O3=0.4990D+00*OH+...\n & + 4.9900D-01 * RXRAT( 584 ) ! SESQ+O3=0.4990D+00*OH+...\n & + RXRAT( 605 ) ! HOCL=OH+CL\n & + 4.1400D-01 * RXRAT( 621 ) ! ROOH+CL=0.4140D+00*OH+HCL+...\n & + 1.4500D-01 * RXRAT( 622 ) ! R6OOH+CL=0.1450D+00*OH+HCL+...\n & + 1.3900D-01 * RXRAT( 623 ) ! RAOOH+CL=0.1390D+00*OH+...\n & + RXRAT( 717 ) ! HPALD=OH+HO2+0.5000D+...\n & + 7.9000D-01 * RXRAT( 733 ) ! HC5+O3=0.7900D+00*OH+...\n & + 7.3000D-01 * RXRAT( 740 ) ! ISOPND+O3=0.7300D+00*OH+...\n & + 3.4000D-01 * RXRAT( 747 ) ! ISOPNB+O3=0.3400D+00*OH+...\n & + 8.5000D-01 * RXRAT( 762 ) ! NIT1+O3=0.8500D+00*OH+...\n & + 9.5000D-01 * RXRAT( 814 ) ! HO2+IEPOXOO=0.1125D+01*OH+...\n & + 1.2500D-01 * RXRAT( 815 ) ! IEPOXOO+NO=0.1250D+00*OH+...\n & + 6.3000D-02 * RXRAT( 816 ) ! IEPOXOO+MEO2=0.6300D-01*OH+...\n & + 6.3000D-02 * RXRAT( 817 ) ! IEPOXOO+RO2C=0.6300D-01*OH+...\n & + 1.2500D-01 * RXRAT( 818 ) ! IEPOXOO+MECO3=0.1250D+...\n & + RXRAT( 819 ) ! ISOPOOH=OH+0.9100D+00*HO2+...\n & + 3.3000D-01 * RXRAT( 825 ) ! MACR=0.3300D+00*OH+0.6700D+...\n & + RXRAT( 838 ) ! MACROO=OH+CO+HACET\n & + RXRAT( 849 ) ! xOH+IMACO3=OH+IMACO3\n\n P4 = YC0( OH ) + P4 * DTC\n\nc..Production of HO2 from OH ( r5,4 terms )\n R5_4 = RKI( 26 ) * YC ( NO3 ) ! OH+NO3=HO2+NO2\n & + RKI( 29 ) * YC ( CO ) ! OH+CO=HO2+CO2\n & + RKI( 30 ) * YC ( O3 ) ! OH+O3=HO2\n & + RKI( 42 ) * YC ( HO2H ) ! OH+HO2H=HO2\n & + RKI( 44 ) * YC ( SO2 ) ! OH+SO2=HO2+SULF+...\n & + RKI( 45 ) ! OH=HO2\n & + RKI( 196 ) * YC ( HCHO ) ! OH+HCHO=HO2+CO\n & + RKI( 208 ) * YC ( MEOH ) ! OH+MEOH=HO2+HCHO\n & + RKI( 209 ) * YC ( HCOOH ) ! OH+HCOOH=HO2+CO2\n & + 1.4800D-01 * RKI( 218 ) * YC ( RAOOH ) ! OH+RAOOH=0.1480D+...\n & + 7.0000D-01 * RKI( 222 ) * YC ( GLY ) ! OH+GLY=0.7000D+...\n & + 4.7200D-01 * RKI( 253 ) * YC ( PRD2 ) ! OH+PRD2=0.4720D+...\n & + 1.8900D-01 * RKI( 255 ) * YC ( RNO3 ) ! OH+RNO3=0.1890D+...\n & + 3.0000D-01 * RKI( 542 ) * YC ( ACETYLENE ) ! OH+ACETYLENE=...\n & + 5.7000D-01 * RKI( 544 ) * YC ( BENZENE ) ! OH+BENZENE=...\n & + 1.8100D-01 * RKI( 545 ) * YC ( TOLUENE ) ! OH+TOLUENE=...\n & + 1.5900D-01 * RKI( 546 ) * YC ( MXYL ) ! OH+MXYL=0.1590D+...\n & + 1.6100D-01 * RKI( 547 ) * YC ( OXYL ) ! OH+OXYL=0.1610D+...\n & + 1.5900D-01 * RKI( 548 ) * YC ( PXYL ) ! OH+PXYL=0.1590D+...\n & + 2.2000D-02 * RKI( 549 ) * YC ( TMBENZ124 ) ! OH+TMBENZ124=...\n & + 9.5000D-01 * RKI( 550 ) * YC ( ETOH ) ! OH+ETOH=0.9500D+...\n & + 1.2300D-01 * RKI( 565 ) * YC ( ARO1 ) ! OH+ARO1=0.1230D+...\n & + 7.7000D-02 * RKI( 566 ) * YC ( ARO2MN ) ! OH+ARO2MN=...\n & + 7.7000D-02 * RKI( 567 ) * YC ( NAPHTHAL ) ! OH+NAPHTHAL=...\n & + 7.5000D-01 * RKI( 796 ) * YC ( HOCCHO ) ! OH+HOCCHO=...\n & + 8.2500D-01 * RKI( 797 ) * YC ( HACET ) ! OH+HACET=0.8250D+...\n & + 5.0000D-01 * RKI( 809 ) * YC ( DHMOB ) ! OH+DHMOB=0.5000D+...\n & + RKI( 820 ) * YC ( RNO3I ) ! OH+RNO3I=HO2+NO2+...\n & + 1.9000D-01 * RKI( 877 ) * YC ( IMAPAN ) ! OH+IMAPAN=...\n & + 1.8900D-01 * RKI( 882 ) * YC ( MTNO3 ) ! OH+MTNO3=0.1890D+...\n\n R5_4 = R5_4 * DTC\n\nc..Production of HO2 from HNO4 (r5,21 term )\n R5_21 = RKI( 33 ) ! HNO4=HO2+NO2\n & + 6.1000D-01 * RKI( 34 ) ! HNO4=0.6100D+...\n\n R5_21 = R5_21 * DTC\n\nc..Remaining HO2 production terms\n P5 = RXRAT( 46 ) ! MEO2+NO=HO2+HCHO+NO2\n & + RXRAT( 49 ) ! MEO2+NO3=HO2+HCHO+NO2\n & + 2.0000D+00 * RXRAT( 51 ) ! MEO2+MEO2=0.2000D+01*HO2+...\n & + 5.0000D-01 * RXRAT( 55 ) ! RO2C+MEO2=0.5000D+00*HO2+...\n & + 5.0000D-01 * RXRAT( 60 ) ! RO2XC+MEO2=0.5000D+00*HO2+...\n & + 9.0000D-01 * RXRAT( 69 ) ! MECO3+MEO2=0.9000D+00*HO2+...\n & + RXRAT( 79 ) ! RCO3+MEO2=HO2+HCHO+RO2C+...\n & + RXRAT( 90 ) ! BZCO3+MEO2=HO2+HCHO+RO2C+...\n & + RXRAT( 104 ) ! xHO2+NO=HO2+NO\n & + RXRAT( 106 ) ! xHO2+NO3=HO2+NO3\n & + 5.0000D-01 * RXRAT( 107 ) ! xHO2+MEO2=0.5000D+00*HO2+MEO2\n & + 5.0000D-01 * RXRAT( 108 ) ! xHO2+RO2C=0.5000D+00*HO2+RO2C\n & + 5.0000D-01 * RXRAT( 109 ) ! xHO2+RO2XC=0.5000D+00*HO2+...\n & + RXRAT( 110 ) ! xHO2+MECO3=HO2+MECO3\n & + RXRAT( 111 ) ! xHO2+RCO3=HO2+RCO3\n & + RXRAT( 112 ) ! xHO2+BZCO3=HO2+BZCO3\n & + RXRAT( 113 ) ! xHO2+MACO3=HO2+MACO3\n & + 2.0000D+00 * RXRAT( 194 ) ! HCHO=0.2000D+01*HO2+CO\n & + RXRAT( 197 ) ! HCHO+NO3=HO2+HNO3+CO\n & + RXRAT( 199 ) ! CCHO=HO2+CO+MEO2\n & + RXRAT( 202 ) ! RCHO=HO2+xHO2+yROOH+xCCHO+...\n & + RXRAT( 213 ) ! COOH=HO2+OH+HCHO\n & + RXRAT( 215 ) ! ROOH=HO2+OH+RCHO\n & + 1.4200D-01 * RXRAT( 217 ) ! R6OOH=0.1420D+00*HO2+OH+...\n & + RXRAT( 219 ) ! RAOOH=HO2+OH+0.5000D+...\n & + 2.0000D+00 * RXRAT( 220 ) ! GLY=0.2000D+01*HO2+0.2000D+...\n & + 7.0000D-01 * RXRAT( 223 ) ! GLY+NO3=0.7000D+00*HO2+...\n & + RXRAT( 224 ) ! MGLY=HO2+CO+MECO3\n & + 5.2200D-01 * RXRAT( 237 ) ! AFG1+O3=0.5220D+00*HO2+...\n & + 1.0230D+00 * RXRAT( 238 ) ! AFG1=0.1023D+01*HO2+...\n & + 5.2200D-01 * RXRAT( 240 ) ! AFG2+O3=0.5220D+00*HO2+...\n & + 5.5400D-01 * RXRAT( 243 ) ! AFG3+O3=0.5540D+00*HO2+...\n & + 1.0800D-01 * RXRAT( 244 ) ! MACR+O3=0.1080D+00*HO2+...\n & + 6.4000D-02 * RXRAT( 246 ) ! MVK+O3=0.6400D-01*HO2+...\n & + 4.0000D-01 * RXRAT( 250 ) ! IPRD+O3=0.4000D+00*HO2+...\n & + 1.2330D+00 * RXRAT( 252 ) ! IPRD=0.1233D+01*HO2+...\n & + 3.4400D-01 * RXRAT( 256 ) ! RNO3=0.3440D+00*HO2+...\n & + 2.0000D+00 * RXRAT( 257 ) ! HOCCHO=0.2000D+01*HO2+CO+HCHO\n & + 8.3000D-01 * RXRAT( 260 ) ! ACROLEIN+O3=0.8300D+00*HO2+...\n & + 1.0660D+00 * RXRAT( 263 ) ! ACROLEIN=0.1066D+01*HO2+...\n & + RXRAT( 268 ) ! HCOCO3+NO=HO2+CO+CO2+NO2\n & + RXRAT( 269 ) ! HCOCO3+NO2=HO2+CO+CO2+NO3\n & + RXRAT( 484 ) ! zRNO3+NO3=HO2+PRD2+NO3\n & + 5.0000D-01 * RXRAT( 485 ) ! zRNO3+MEO2=0.5000D+00*HO2+...\n & + 5.0000D-01 * RXRAT( 486 ) ! zRNO3+RO2C=0.5000D+00*HO2+...\n & + 5.0000D-01 * RXRAT( 487 ) ! zRNO3+RO2XC=0.5000D+00*HO2+...\n & + RXRAT( 488 ) ! zRNO3+MECO3=HO2+PRD2+MECO3\n & + RXRAT( 489 ) ! zRNO3+RCO3=HO2+PRD2+RCO3\n & + RXRAT( 490 ) ! zRNO3+BZCO3=HO2+PRD2+BZCO3\n & + RXRAT( 491 ) ! zRNO3+MACO3=HO2+PRD2+MACO3\n & + RXRAT( 494 ) ! zMTNO3+NO3=HO2+PRD2+NO3\n & + 5.0000D-01 * RXRAT( 495 ) ! zMTNO3+MEO2=0.5000D+00*HO2+...\n & + 5.0000D-01 * RXRAT( 496 ) ! zMTNO3+RO2C=0.5000D+00*HO2+...\n & + 5.0000D-01 * RXRAT( 497 ) ! zMTNO3+RO2XC=0.5000D+...\n & + RXRAT( 498 ) ! zMTNO3+MECO3=HO2+PRD2+MECO3\n & + RXRAT( 499 ) ! zMTNO3+RCO3=HO2+PRD2+RCO3\n & + RXRAT( 500 ) ! zMTNO3+BZCO3=HO2+PRD2+BZCO3\n & + RXRAT( 501 ) ! zMTNO3+MACO3=HO2+PRD2+MACO3\n & + RXRAT( 502 ) ! zMTNO3+IMACO3=HO2+PRD2+IMACO3\n & + 1.6000D-01 * RXRAT( 525 ) ! ETHENE+O3=0.1600D+00*HO2+...\n & + 8.0000D-01 * RXRAT( 527 ) ! ETHENE+O3P=0.8000D+00*HO2+...\n & + 1.6500D-01 * RXRAT( 529 ) ! PROPENE+O3=0.1650D+00*HO2+...\n & + 8.0000D-02 * RXRAT( 533 ) ! BUTADIENE13+O3=0.8000D-...\n & + 2.5000D-01 * RXRAT( 535 ) ! BUTADIENE13+O3P=0.2500D+...\n & + 6.6000D-02 * RXRAT( 536 ) ! ISOPRENE+O3=0.6600D-01*HO2+...\n & + 9.0000D-03 * RXRAT( 539 ) ! APIN+O3=0.9000D-02*HO2+...\n & + 1.5000D+00 * RXRAT( 543 ) ! ACETYLENE+O3=0.1500D+...\n & + 9.5000D-02 * RXRAT( 558 ) ! OLE1+O3=0.9500D-01*HO2+...\n & + 9.4000D-02 * RXRAT( 562 ) ! OLE2+O3=0.9400D-01*HO2+...\n & + 7.8000D-02 * RXRAT( 569 ) ! TERP+O3=0.7800D-01*HO2+...\n & + 2.2700D-01 * RXRAT( 571 ) ! TERPNRO2+NO=0.2270D+00*HO2+...\n & + 4.2000D-01 * RXRAT( 573 ) ! TERPNRO2+NO3=0.4200D+...\n & + 7.1000D-01 * RXRAT( 574 ) ! TERPNRO2+MEO2=0.7100D+...\n & + 2.1000D-01 * RXRAT( 575 ) ! TERPNRO2+RO2C=0.2100D+...\n & + 2.1000D-01 * RXRAT( 576 ) ! TERPNRO2+RO2XC=0.2100D+...\n & + 4.2000D-01 * RXRAT( 577 ) ! TERPNRO2+MECO3=0.4200D+...\n & + 4.2000D-01 * RXRAT( 578 ) ! TERPNRO2+RCO3=0.4200D+...\n & + 4.2000D-01 * RXRAT( 579 ) ! TERPNRO2+BZCO3=0.4200D+...\n & + 4.2000D-01 * RXRAT( 580 ) ! TERPNRO2+MACO3=0.4200D+...\n & + 4.2000D-01 * RXRAT( 581 ) ! TERPNRO2+IMACO3=0.4200D+...\n & + 7.8000D-02 * RXRAT( 584 ) ! SESQ+O3=0.7800D-01*HO2+...\n & + RXRAT( 608 ) ! CL=HO2+HCL\n & + RXRAT( 609 ) ! HCHO+CL=HO2+HCL+CO\n & + RXRAT( 611 ) ! MEOH+CL=HO2+HCHO+HCL\n & + 5.5000D-02 * RXRAT( 615 ) ! RNO3+CL=0.5500D-01*HO2+...\n & + 3.1400D-01 * RXRAT( 616 ) ! PRD2+CL=0.3140D+00*HO2+HCL+...\n & + 6.3000D-01 * RXRAT( 617 ) ! GLY+CL=0.6300D+00*HO2+HCL+...\n & + 1.4800D-01 * RXRAT( 623 ) ! RAOOH+CL=0.1480D+00*HO2+...\n & + 8.4000D-02 * RXRAT( 626 ) ! IPRD+CL=0.8400D-01*HO2+...\n & + RXRAT( 627 ) ! CLCCHO=HO2+CO+RO2C+xCL+...\n & + RXRAT( 667 ) ! ACETYLENE+CL=HO2+CO\n & + 6.8800D-01 * RXRAT( 673 ) ! ETOH+CL=0.6880D+00*HO2+HCL+...\n & + 8.0300D-01 * RXRAT( 710 ) ! ISOPO2+NO=0.8030D+00*HO2+...\n & + 9.5000D-01 * RXRAT( 712 ) ! ISOPO2+MEO2=0.9500D+00*HO2+...\n & + 4.5000D-01 * RXRAT( 713 ) ! ISOPO2+RO2C=0.4500D+00*HO2+...\n & + 9.1000D-01 * RXRAT( 714 ) ! ISOPO2+ISOPO2=0.9100D+...\n & + 9.1000D-01 * RXRAT( 715 ) ! ISOPO2+MECO3=0.9100D+...\n & + RXRAT( 716 ) ! ISOPO2=HO2+HPALD\n & + RXRAT( 717 ) ! HPALD=HO2+OH+0.5000D+...\n & + 8.0000D-01 * RXRAT( 720 ) ! NISOPO2+NO3=0.8000D+00*HO2+...\n & + 8.0000D-01 * RXRAT( 721 ) ! NISOPO2+NO=0.8000D+00*HO2+...\n & + 9.0000D-01 * RXRAT( 723 ) ! NISOPO2+MEO2=0.9000D+...\n & + 4.0000D-01 * RXRAT( 724 ) ! NISOPO2+RO2C=0.4000D+...\n & + 8.0000D-01 * RXRAT( 725 ) ! NISOPO2+NISOPO2=0.8000D+...\n & + 8.0000D-01 * RXRAT( 726 ) ! NISOPO2+MECO3=0.8000D+...\n & + RXRAT( 728 ) ! HC5OO+NO=HO2+0.2340D+...\n & + RXRAT( 730 ) ! HC5OO+MEO2=HO2+0.1170D+...\n & + 5.0000D-01 * RXRAT( 731 ) ! HC5OO+RO2C=0.5000D+00*HO2+...\n & + RXRAT( 732 ) ! HC5OO+MECO3=HO2+CO2+...\n & + 6.0000D-01 * RXRAT( 733 ) ! HC5+O3=0.6000D+00*HO2+...\n & + 3.5000D-01 * RXRAT( 735 ) ! ISOPNOOD+NO=0.3500D+00*HO2+...\n & + 6.7500D-01 * RXRAT( 737 ) ! ISOPNOOD+MEO2=0.6750D+...\n & + 1.7500D-01 * RXRAT( 738 ) ! ISOPNOOD+RO2C=0.1750D+...\n & + 3.5000D-01 * RXRAT( 739 ) ! ISOPNOOD+MECO3=0.3500D+...\n & + 3.9000D-01 * RXRAT( 740 ) ! ISOPND+O3=0.3900D+00*HO2+...\n & + 4.0000D-01 * RXRAT( 742 ) ! ISOPNOOB+NO=0.4000D+00*HO2+...\n & + 7.0000D-01 * RXRAT( 744 ) ! ISOPNOOB+MEO2=0.7000D+...\n & + 2.0000D-01 * RXRAT( 745 ) ! ISOPNOOB+RO2C=0.2000D+...\n & + 4.0000D-01 * RXRAT( 746 ) ! ISOPNOOB+MECO3=0.4000D+...\n & + 8.0000D-02 * RXRAT( 747 ) ! ISOPNB+O3=0.8000D-01*HO2+...\n & + RXRAT( 749 ) ! NIT1NO3OOA+NO3=HO2+PROPNN+...\n & + RXRAT( 750 ) ! NIT1NO3OOA+NO=HO2+PROPNN+...\n & + RXRAT( 753 ) ! NIT1NO3OOA+RO2C=HO2+CO+CO2+...\n & + 2.0000D+00 * RXRAT( 754 ) ! NIT1NO3OOA+MEO2=0.2000D+...\n & + RXRAT( 755 ) ! NIT1NO3OOA+MECO3=HO2+...\n & + 5.0000D-01 * RXRAT( 760 ) ! NIT1NO3OOB+MEO2=0.5000D+...\n & + 4.5000D-01 * RXRAT( 762 ) ! NIT1+O3=0.4500D+00*HO2+...\n & + 9.3400D-01 * RXRAT( 764 ) ! NIT1OHOO+NO=0.9340D+00*HO2+...\n & + 7.0000D-01 * RXRAT( 766 ) ! NIT1OHOO+RO2C=0.7000D+...\n & + 1.2000D+00 * RXRAT( 767 ) ! NIT1OHOO+MEO2=0.1200D+...\n & + RXRAT( 768 ) ! NIT1OHOO+MECO3=HO2+CO2+...\n & + RXRAT( 769 ) ! DIBOO+NO=HO2+NO2+0.5200D+...\n & + RXRAT( 771 ) ! DIBOO+MEO2=HO2+0.2600D+...\n & + 5.0000D-01 * RXRAT( 772 ) ! DIBOO+RO2C=0.5000D+00*HO2+...\n & + RXRAT( 773 ) ! DIBOO+MECO3=HO2+0.5200D+...\n & + 2.6500D-01 * RXRAT( 775 ) ! MVKOO+NO=0.2650D+00*HO2+...\n & + 6.5000D-01 * RXRAT( 777 ) ! MVKOO+MEO2=0.6500D+00*HO2+...\n & + 1.5000D-01 * RXRAT( 778 ) ! MVKOO+RO2C=0.1500D+00*HO2+...\n & + 3.0000D-01 * RXRAT( 779 ) ! MVKOO+MECO3=0.3000D+00*HO2+...\n & + 8.5000D-01 * RXRAT( 780 ) ! MACROO+NO=0.8500D+00*HO2+...\n & + RXRAT( 782 ) ! MACROO+MEO2=HO2+0.4240D+...\n & + 5.0000D-01 * RXRAT( 783 ) ! MACROO+RO2C=0.5000D+00*HO2+...\n & + RXRAT( 784 ) ! MACROO+MECO3=HO2+CO2+MEO2+...\n & + RXRAT( 788 ) ! MACO3+MEO2=HO2+0.2000D+...\n & + RXRAT( 798 ) ! HACET=HO2+MECO3+HCHO\n & + RXRAT( 800 ) ! ETHLN=HO2+HCHO+NO2+CO\n & + RXRAT( 808 ) ! MACRN=HO2+NO2+CO+HACET\n & + 8.2500D-01 * RXRAT( 815 ) ! IEPOXOO+NO=0.8250D+00*HO2+...\n & + 9.1300D-01 * RXRAT( 816 ) ! IEPOXOO+MEO2=0.9130D+...\n & + 4.1300D-01 * RXRAT( 817 ) ! IEPOXOO+RO2C=0.4130D+...\n & + 8.2500D-01 * RXRAT( 818 ) ! IEPOXOO+MECO3=0.8250D+...\n & + 9.1000D-01 * RXRAT( 819 ) ! ISOPOOH=0.9100D+00*HO2+OH+...\n & + 6.7000D-01 * RXRAT( 825 ) ! MACR=0.6700D+00*HO2+...\n & + RXRAT( 830 ) ! IMACO3+MEO2=HO2+0.2000D+...\n & + RXRAT( 850 ) ! xHO2+IMACO3=HO2+IMACO3\n & + RXRAT( 853 ) ! zRNO3+IMACO3=HO2+PRD2+IMACO3\n & + 5.5000D-02 * RXRAT( 881 ) ! MTNO3+CL=0.5500D-01*HO2+...\n & + 3.4400D-01 * RXRAT( 883 ) ! MTNO3=0.3440D+00*HO2+...\n\n P5 = YC0( HO2 ) + P5 * DTC\n\nc..Production of HONO from OH (r19,4 terms )\n\n R19_4 = RKI( 22 ) * YC( NO ) * DTC ! OH+NO=HONO\n\nc..Remaining HONO production terms\n P19 = RXRAT( 231 ) ! NPHE=HONO\n & + 5.0000D-01 * RXRAT( 884 ) ! NO2=0.5000D+00*HONO+...\n\n P19 = YC0( HONO ) + P19 * DTC\n\nc..Production of HNO4 from HO2 (r21,5 term )\n\n R21_5 = RKI( 32 ) * YCP( NO2 ) * DTC ! HO2+NO2=HNO4\n\nc..Remaining HNO4 production terms\n P21 = YC0( HNO4 )\n\nc..OH loss terms not in R5_4 & R19_4\n L4 = RKI( 24 ) * YC ( HONO ) ! OH+HONO=NO2\n & + RKI( 25 ) * YC ( NO2 ) ! OH+NO2=HNO3\n & + RKI( 27 ) * YC ( HNO3 ) ! OH+HNO3=NO3\n & + RKI( 35 ) * YC ( HNO4 ) ! OH+HNO4=NO2\n & + RKI( 43 ) * YC ( HO2 ) ! OH+HO2=\n & + RKI( 198 ) * YC ( CCHO ) ! OH+CCHO=MECO3\n & + RKI( 201 ) * YC ( RCHO ) ! OH+RCHO=0.9650D+...\n & + RKI( 204 ) * YC ( ACETONE ) ! OH+ACETONE=RO2C+...\n & + RKI( 206 ) * YC ( MEK ) ! OH+MEK=0.9670D+...\n & + RKI( 210 ) * YC ( CCOOH ) ! OH+CCOOH=0.5090D+...\n & + RKI( 211 ) * YC ( RCOOH ) ! OH+RCOOH=RO2C+...\n & + 7.0000D-01 * RKI( 212 ) * YC ( COOH ) ! OH+COOH=0.3000D+...\n & + 2.5600D-01 * RKI( 214 ) * YC ( ROOH ) ! OH+ROOH=0.7440D+...\n & + 1.6000D-01 * RKI( 216 ) * YC ( R6OOH ) ! OH+R6OOH=0.8400D+...\n & + 7.1300D-01 * RKI( 218 ) * YC ( RAOOH ) ! OH+RAOOH=0.1480D+...\n & + 3.0000D-01 * RKI( 222 ) * YC ( GLY ) ! OH+GLY=0.7000D+...\n & + RKI( 225 ) * YC ( MGLY ) ! OH+MGLY=CO+MECO3\n & + RKI( 228 ) * YC ( CRES ) ! OH+CRES=0.2000D+...\n & + RKI( 230 ) * YC ( NPHE ) ! OH+NPHE=BZO\n & + RKI( 233 ) * YC ( BALD ) ! OH+BALD=BZCO3\n & + RKI( 236 ) * YC ( AFG1 ) ! OH+AFG1=0.2170D+...\n & + RKI( 239 ) * YC ( AFG2 ) ! OH+AFG2=0.2170D+...\n & + RKI( 242 ) * YC ( AFG3 ) ! OH+AFG3=0.2060D+...\n & + RKI( 249 ) * YC ( IPRD ) ! OH+IPRD=0.2890D+...\n & + 5.2800D-01 * RKI( 253 ) * YC ( PRD2 ) ! OH+PRD2=0.4720D+...\n & + 8.1100D-01 * RKI( 255 ) * YC ( RNO3 ) ! OH+RNO3=0.1890D+...\n & + RKI( 259 ) * YC ( ACROLEIN ) ! OH+ACROLEIN=...\n & + RKI( 264 ) * YC ( CCOOOH ) ! OH+CCOOOH=...\n & + RKI( 266 ) * YC ( RCOOOH ) ! OH+RCOOOH=...\n & + RKI( 523 ) ! OH=MEO2\n & + RKI( 524 ) * YC ( ETHENE ) ! OH+ETHENE=xHO2+...\n & + RKI( 528 ) * YC ( PROPENE ) ! OH+PROPENE=...\n & + RKI( 532 ) * YC ( BUTADIENE13 ) ! OH+BUTADIENE13=...\n & + RKI( 538 ) * YC ( APIN ) ! OH+APIN=0.7990D+...\n & + 3.1400D-01 * RKI( 544 ) * YC ( BENZENE ) ! OH+BENZENE=...\n & + 5.0700D-01 * RKI( 545 ) * YC ( TOLUENE ) ! OH+TOLUENE=...\n & + 6.0200D-01 * RKI( 546 ) * YC ( MXYL ) ! OH+MXYL=0.1590D+...\n & + 6.4100D-01 * RKI( 547 ) * YC ( OXYL ) ! OH+OXYL=0.1610D+...\n & + 5.6300D-01 * RKI( 548 ) * YC ( PXYL ) ! OH+PXYL=0.1590D+...\n & + 7.4800D-01 * RKI( 549 ) * YC ( TMBENZ124 ) ! OH+TMBENZ124=...\n & + 5.0000D-02 * RKI( 550 ) * YC ( ETOH ) ! OH+ETOH=0.9500D+...\n & + RKI( 551 ) * YC ( ALK1 ) ! OH+ALK1=xHO2+...\n & + RKI( 552 ) * YC ( ALK2 ) ! OH+ALK2=0.9650D+...\n & + RKI( 553 ) * YC ( ALK3 ) ! OH+ALK3=0.6950D+...\n & + RKI( 554 ) * YC ( ALK4 ) ! OH+ALK4=0.8300D+...\n & + RKI( 555 ) * YC ( ALK5 ) ! OH+ALK5=0.6470D+...\n & + RKI( 557 ) * YC ( OLE1 ) ! OH+OLE1=0.8710D+...\n & + RKI( 561 ) * YC ( OLE2 ) ! OH+OLE2=0.9120D+...\n & + 6.7500D-01 * RKI( 565 ) * YC ( ARO1 ) ! OH+ARO1=0.1230D+...\n & + 7.4500D-01 * RKI( 566 ) * YC ( ARO2MN ) ! OH+ARO2MN=...\n & + 7.4500D-01 * RKI( 567 ) * YC ( NAPHTHAL ) ! OH+NAPHTHAL=...\n & + RKI( 568 ) * YC ( TERP ) ! OH+TERP=0.7340D+...\n & + RKI( 583 ) * YC ( SESQ ) ! OH+SESQ=0.7340D+...\n & + RKI( 607 ) * YC ( HCL ) ! OH+HCL=CL\n & + RKI( 628 ) * YC ( CLCCHO ) ! OH+CLCCHO=RCO3\n & + RKI( 709 ) * YC ( ISOPRENE ) ! OH+ISOPRENE=...\n & + RKI( 727 ) * YC ( HC5 ) ! OH+HC5=HC5OO\n & + RKI( 734 ) * YC ( ISOPND ) ! OH+ISOPND=ISOPNOOD\n & + RKI( 741 ) * YC ( ISOPNB ) ! OH+ISOPNB=ISOPNOOB\n & + RKI( 763 ) * YC ( NIT1 ) ! OH+NIT1=0.3450D+...\n & + RKI( 774 ) * YC ( MVK ) ! OH+MVK=MVKOO\n & + RKI( 795 ) * YC ( MAPAN ) ! OH+MAPAN=HACET+...\n & + 7.5000D-02 * RKI( 797 ) * YC ( HACET ) ! OH+HACET=0.8250D+...\n & + RKI( 799 ) * YC ( ETHLN ) ! OH+ETHLN=HCHO+...\n & + RKI( 801 ) * YC ( PROPNN ) ! OH+PROPNN=MGLY+NO2\n & + RKI( 802 ) * YC ( ISOPNN ) ! OH+ISOPNN=PROPNN+NO2\n & + RKI( 805 ) * YC ( MVKN ) ! OH+MVKN=0.6500D+...\n & + RKI( 807 ) * YC ( MACRN ) ! OH+MACRN=0.8000D-...\n & + 5.0000D-01 * RKI( 809 ) * YC ( DHMOB ) ! OH+DHMOB=0.5000D+...\n & + 3.8700D-01 * RKI( 812 ) * YC ( ISOPOOH ) ! OH+ISOPOOH=...\n & + RKI( 813 ) * YC ( IEPOX ) ! OH+IEPOX=IEPOXOO\n & + 3.0000D-01 * RKI( 822 ) * YC ( NISOPOOH ) ! OH+NISOPOOH=...\n & + RKI( 823 ) * YC ( MACR ) ! OH+MACR=0.5300D+...\n & + 8.1000D-01 * RKI( 877 ) * YC ( IMAPAN ) ! OH+IMAPAN=...\n & + RKI( 878 ) * YC ( IMAE ) ! OH+IMAE=\n & + RKI( 879 ) * YC ( IHMML ) ! OH+IHMML=\n & + RKI( 880 ) * YC ( IMPAA ) ! OH+IMPAA=0.8300D+...\n & + 8.1100D-01 * RKI( 882 ) * YC ( MTNO3 ) ! OH+MTNO3=0.1890D+...\n\n L4 = 1.0D0 + L4 * DTC + R5_4 + R19_4\n\nc..HO2 loss terms not included in R4_5 & R21_5 (except for HO2+HO2 )\n L5 = 2.0000D-01 * RKI( 39 ) * YC ( NO3 ) ! HO2+NO3=0.8000D+...\n & + RKI( 43 ) * YC ( OH ) ! HO2+OH=\n & + RKI( 47 ) * YC ( MEO2 ) ! HO2+MEO2=COOH\n & + RKI( 48 ) * YC ( MEO2 ) ! HO2+MEO2=HCHO\n & + RKI( 53 ) * YC ( RO2C ) ! HO2+RO2C=\n & + RKI( 58 ) * YC ( RO2XC ) ! HO2+RO2XC=\n & + 5.6000D-01 * RKI( 67 ) * YC ( MECO3 ) ! HO2+MECO3=...\n & + 5.6000D-01 * RKI( 77 ) * YC ( RCO3 ) ! HO2+RCO3=0.4400D+...\n & + 5.6000D-01 * RKI( 88 ) * YC ( BZCO3 ) ! HO2+BZCO3=...\n & + RKI( 102 ) * YC ( BZO ) ! HO2+BZO=CRES\n & + 1.2000D-01 * RKI( 270 ) * YC ( HCOCO3 ) ! HO2+HCOCO3=...\n & + RKI( 572 ) * YC ( TERPNRO2 ) ! HO2+TERPNRO2=MTNO3\n & + RKI( 594 ) * YC ( CL ) ! HO2+CL=HCL\n & + RKI( 604 ) * YC ( CLO ) ! HO2+CLO=HOCL\n & + 7.6000D-01 * RKI( 711 ) * YC ( ISOPO2 ) ! HO2+ISOPO2=...\n & + RKI( 722 ) * YC ( NISOPO2 ) ! HO2+NISOPO2=NISOPOOH\n & + RKI( 729 ) * YC ( HC5OO ) ! HO2+HC5OO=R6OOH\n & + RKI( 736 ) * YC ( ISOPNOOD ) ! HO2+ISOPNOOD=RNO3I\n & + RKI( 743 ) * YC ( ISOPNOOB ) ! HO2+ISOPNOOB=RNO3I\n & + RKI( 752 ) * YC ( NIT1NO3OOA ) ! HO2+NIT1NO3OOA=...\n & + RKI( 758 ) * YC ( NIT1NO3OOB ) ! HO2+NIT1NO3OOB=RNO3I\n & + RKI( 765 ) * YC ( NIT1OHOO ) ! HO2+NIT1OHOO=R6OOH\n & + RKI( 770 ) * YC ( DIBOO ) ! HO2+DIBOO=R6OOH\n & + RKI( 776 ) * YC ( MVKOO ) ! HO2+MVKOO=ROOH\n & + RKI( 781 ) * YC ( MACROO ) ! HO2+MACROO=ROOH\n & + 5.6000D-01 * RKI( 786 ) * YC ( MACO3 ) ! HO2+MACO3=...\n & + RKI( 828 ) * YC ( IMACO3 ) ! HO2+IMACO3=...\n\n L5 = 1.0D0 + L5 * DTC + R4_5 + R21_5\n\nc..HONO loss terms not included in R4_19\n L19 = RKI( 24 ) * YC ( OH ) ! HONO+OH=NO2\n\n L19 = 1.0D0 + L19 * DTC + R4_19\n\nc..HNO4 loss terms not included in R5_21\n L21 = 3.9000D-01 * RKI( 34 ) ! HNO4=0.6100D+...\n & + RKI( 35 ) * YC ( OH ) ! HNO4+OH=NO2\n\n L21 = 1.0D0 + L21 * DTC + R5_21\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Solution section\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\nc..compute terms used to calculate a,b & c\n L21_INV = 1.0D0 / L21\n T1 = 1.0D0 / ( L4 * L19 - R4_19 * R19_4 )\n T2 = R5_4 * T1\n T3 = R5_21 * L21_INV\n\nc..solve quadratic equation for HO2\n A = 2.0D0 * ( RKI( 37 ) + RKI( 38 ) ) * DTC\n\n B = L5 - T3 * R21_5 - T2 * R4_5 * L19\n\n C = P5 + T3 * P21 + T2 * ( P4 * L19 + P19 * R4_19 )\n\n Q = -0.5D0 * ( B + SIGN( 1.0D0, B ) * SQRT( B * B + 4.0D0 * A * C ) )\n\n YCP( HO2 ) = MAX( Q / A , -C / Q )\n\nc..compute remaining species concentrations\n YCP( OH ) = ( ( P4 + R4_5 * YCP( HO2 ) ) * L19 + R4_19 * P19 ) * T1\n\n YCP( HNO4 ) = ( P21 + R21_5 * YCP( HO2 ) ) * L21_INV\n\n YCP( HONO ) = ( P19 + R19_4 * YCP( OH ) ) / L19\n\n RETURN\n\n END\n\n\n" }, { "path": "CCTM/src/gas/ebi_saprc07tic_ae7i_aq/hrg3.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE HRG3( DTC )\n\nC**********************************************************************\nC\nC FUNCTION: To solve for the concentration of C2O3 and PAN\nC\nC PRECONDITIONS: For the SAPRC07TIC_AE7I_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 8, 2022\nC\nC 18 Jul 14 B.Hutzell: revised to use real(8) variables\nC**********************************************************************\n USE HRDATA\n\n IMPLICIT NONE\n\nC..INCLUDES: NONE\n\nC..ARGUMENTS:\n REAL( 8 ), INTENT( IN ) :: DTC ! Time step\n\n\nC..PARAMETERS: NONE\n\n\nC..EXTERNAL FUNCTIONS: NONE\n\n\nC..SAVED LOCAL VARIABLES:\n! CHARACTER( 16 ), SAVE :: PNAME = 'HRG3' ! Program name\n\n\nC..SCRATCH LOCAL VARIABLES:\n REAL( 8 ) :: A, B, C, Q ! Quadratic equation terms\n REAL( 8 ) :: CMN ! Temp scalar\n REAL( 8 ) :: L8 ! Loss of CCO_O2\n REAL( 8 ) :: L9 ! Loss of PAN\n REAL( 8 ) :: P8 ! Production of CCO_O2\n\n REAL( 8 ) :: K8_8 ! Kmeco3+meco3 * delta t\n REAL( 8 ) :: R8_9 ! Kpan-->meco3 * delta t\n REAL( 8 ) :: R9_8 ! Kmeco3+no2-->pan * [NO2] * delta t\n\nC**********************************************************************\n\n\nc..Production of MECO3 (except from PAN )\n P8 = 4.0000D-01 * RXRAT( 98 ) ! MAPAN=0.4000D+00*MECO3+...\n & + RXRAT( 144 ) ! xMECO3+NO=MECO3+NO\n & + RXRAT( 146 ) ! xMECO3+NO3=MECO3+NO3\n & + 5.0000D-01 * RXRAT( 147 ) ! xMECO3+MEO2=0.5000D+...\n & + 5.0000D-01 * RXRAT( 148 ) ! xMECO3+RO2C=0.5000D+...\n & + 5.0000D-01 * RXRAT( 149 ) ! xMECO3+RO2XC=0.5000D+...\n & + RXRAT( 150 ) ! xMECO3+MECO3=0.2000D+01*MECO3\n & + RXRAT( 151 ) ! xMECO3+RCO3=MECO3+RCO3\n & + RXRAT( 152 ) ! xMECO3+BZCO3=MECO3+BZCO3\n & + RXRAT( 153 ) ! xMECO3+MACO3=MECO3+MACO3\n & + RXRAT( 198 ) ! CCHO+OH=MECO3\n & + RXRAT( 200 ) ! CCHO+NO3=MECO3+HNO3\n & + 6.2000D-01 * RXRAT( 205 ) ! ACETONE=0.6200D+00*MECO3+...\n & + RXRAT( 207 ) ! MEK=MECO3+RO2C+xHO2+xCCHO+...\n & + RXRAT( 224 ) ! MGLY=MECO3+CO+HO2\n & + RXRAT( 225 ) ! MGLY+OH=MECO3+CO\n & + RXRAT( 226 ) ! MGLY+NO3=MECO3+CO+HNO3\n & + 2.0000D+00 * RXRAT( 227 ) ! BACL=0.2000D+01*MECO3\n & + 3.0500D-01 * RXRAT( 238 ) ! AFG1=0.3050D+00*MECO3+...\n & + 1.3000D-02 * RXRAT( 243 ) ! AFG3+O3=0.1300D-01*MECO3+...\n & + 4.6700D-01 * RXRAT( 252 ) ! IPRD=0.4670D+00*MECO3+...\n & + 4.0000D-01 * RXRAT( 254 ) ! PRD2=0.4000D+00*MECO3+...\n & + RXRAT( 258 ) ! HOCCHO+NO3=MECO3+HNO3\n & + 9.8000D-01 * RXRAT( 264 ) ! CCOOOH+OH=0.9800D+00*MECO3+...\n & + RXRAT( 580 ) ! TERPNRO2+MACO3=MECO3+...\n & + RXRAT( 581 ) ! TERPNRO2+IMACO3=MECO3+...\n & + RXRAT( 610 ) ! CCHO+CL=MECO3+HCL\n & + RXRAT( 618 ) ! MGLY+CL=MECO3+CO+HCL\n & + RXRAT( 630 ) ! CLACET=MECO3+RO2C+xCL+...\n & + 3.5000D-01 * RXRAT( 733 ) ! HC5+O3=0.3500D+00*MECO3+...\n & + 6.2500D-01 * RXRAT( 775 ) ! MVKOO+NO=0.6250D+00*MECO3+...\n & + 3.5000D-01 * RXRAT( 777 ) ! MVKOO+MEO2=0.3500D+...\n & + 3.5000D-01 * RXRAT( 778 ) ! MVKOO+RO2C=0.3500D+...\n & + 4.4000D-01 * RXRAT( 786 ) ! MACO3+HO2=0.4400D+00*MECO3+...\n & + RXRAT( 798 ) ! HACET=MECO3+HO2+HCHO\n & + RXRAT( 803 ) ! PROPNN=MECO3+HCHO+NO2\n & + RXRAT( 804 ) ! ISOPNN=MECO3+HCHO+0.2000D+...\n & + RXRAT( 806 ) ! MVKN=MECO3+NO2+HOCCHO\n & + 3.4000D-01 * RXRAT( 825 ) ! MACR=0.3400D+00*MECO3+...\n & + 4.0000D-01 * RXRAT( 841 ) ! IMAPAN=0.4000D+00*MECO3+...\n & + RXRAT( 846 ) ! xMECO3+IMACO3=MECO3+IMACO3\n\nc..Loss frequency of MECO3 ( not including MECO3 + MECO3 )\n L8 = RKI( 63 ) * YC ( NO2 ) ! MECO3+NO2=PAN\n & + RKI( 66 ) * YC ( NO ) ! MECO3+NO=MEO2+...\n & + RKI( 67 ) * YC ( HO2 ) ! MECO3+HO2=...\n & + RKI( 68 ) * YC ( NO3 ) ! MECO3+NO3=MEO2+...\n & + RKI( 69 ) * YC ( MEO2 ) ! MECO3+MEO2=...\n & + RKI( 70 ) * YC ( RO2C ) ! MECO3+RO2C=MEO2+CO2\n & + RKI( 71 ) * YC ( RO2XC ) ! MECO3+RO2XC=MEO2+CO2\n & + RKI( 82 ) * YC ( RCO3 ) ! MECO3+RCO3=...\n & + RKI( 93 ) * YC ( BZCO3 ) ! MECO3+BZCO3=...\n & + RKI( 577 ) * YC ( TERPNRO2 ) ! MECO3+TERPNRO2=...\n & + RKI( 715 ) * YC ( ISOPO2 ) ! MECO3+ISOPO2=...\n & + RKI( 726 ) * YC ( NISOPO2 ) ! MECO3+NISOPO2=...\n & + RKI( 732 ) * YC ( HC5OO ) ! MECO3+HC5OO=MEO2+...\n & + RKI( 739 ) * YC ( ISOPNOOD ) ! MECO3+ISOPNOOD=...\n & + RKI( 746 ) * YC ( ISOPNOOB ) ! MECO3+ISOPNOOB=...\n & + RKI( 755 ) * YC ( NIT1NO3OOA ) ! MECO3+NIT1NO3OOA=...\n & + RKI( 761 ) * YC ( NIT1NO3OOB ) ! MECO3+NIT1NO3OOB=...\n & + RKI( 768 ) * YC ( NIT1OHOO ) ! MECO3+NIT1OHOO=...\n & + RKI( 773 ) * YC ( DIBOO ) ! MECO3+DIBOO=HO2+...\n & + 3.0000D-01 * RKI( 779 ) * YC ( MVKOO ) ! MECO3+MVKOO=MEO2+...\n & + RKI( 784 ) * YC ( MACROO ) ! MECO3+MACROO=...\n & + RKI( 791 ) * YC ( MACO3 ) ! MECO3+MACO3=...\n & + RKI( 818 ) * YC ( IEPOXOO ) ! MECO3+IEPOXOO=...\n & + RKI( 833 ) * YC ( IMACO3 ) ! MECO3+IMACO3=...\n\nc..Loss frequency of PAN\n L9 = RKI( 64 ) ! PAN=MECO3+NO2\n & + RKI( 65 ) ! PAN=0.6000D+...\n\nc..K8_8, R8_9, and R9_8 terms\n K8_8 = RKI( 72 ) * DTC\n\n R8_9 = ( RKI( 64 )\n & + RKI( 65 ) ) * DTC \n\n R9_8 = ( RKI( 63 ) * YC( NO2 ) ) * DTC \n\nc..Solution of quadratic equation to get MECO3 & PAN\n CMN = 1.0 + L9 * DTC\n A = 2.0D0 * K8_8 * CMN\n B = CMN * ( 1.0D0 + L8 * DTC ) - R8_9 * R9_8\n C = CMN * ( YC0( MECO3 ) + P8 * DTC ) + R8_9 * YC0( PAN )\n\n Q = -0.5D0 * ( B + SIGN( 1.0D0, B ) * SQRT( B * B + 4.0D0 * A * C ) )\n\n YCP( MECO3 ) = MAX( Q / A , -C / Q )\n\n YCP( PAN ) = ( YC0( PAN ) + R9_8 * YCP( MECO3 ) ) / CMN\n\n RETURN\n\n END\n" }, { "path": "CCTM/src/gas/ebi_saprc07tic_ae7i_aq/hrg4.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE HRG4( DTC )\n\nC**********************************************************************\nC\nC FUNCTION: To solve for the concentration of NO3 and N2O5\nC\nC PRECONDITIONS: For the SAPRC07TIC_AE7I_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 8, 2022\nC\nC 18 Jul 14 B.Hutzell: revised to use real(8) variables\nC**********************************************************************\n USE HRDATA\n\n IMPLICIT NONE\n\n\nC..INCLUDES: NONE\n\n\nC..ARGUMENTS:\n REAL( 8 ), INTENT( IN ) :: DTC ! Time step\n\n\nC..PARAMETERS: NONE\n\n\nC..EXTERNAL FUNCTIONS: NONE\n\n\nC..SAVED LOCAL VARIABLES:\n! CHARACTER( 16 ), SAVE :: PNAME = 'HRG4' ! Program name\n\n\nC..SCRATCH LOCAL VARIABLES:\n REAL( 8 ) :: A, B, C, Q ! Quadratic equation terms\n REAL( 8 ) :: CMN ! Temp scalar\n REAL( 8 ) :: L15 ! Loss of NO3\n REAL( 8 ) :: L16 ! Loss of N2O5\n REAL( 8 ) :: P15 ! Production of NO3\n REAL( 8 ) :: K15_15 ! Kno3+no3 * delta t\n REAL( 8 ) :: R15_16 ! Kn2o5-->no3 * delta t\n REAL( 8 ) :: R16_15 ! Kno3+no2-->n2o5[NO2] * delta t\n\n\nC**********************************************************************\n\n\nc..Production of NO3 (except from N2O5 )\n P15 = RKI( 6 ) * YCP( O3P ) * YCP( NO2 ) ! O3P+NO2=NO3\n & + RKI( 8 ) * YCP( O3 ) * YCP( NO2 ) ! O3+NO2=NO3\n & + RKI( 27 ) * YCP( OH ) * YC ( HNO3 ) ! OH+HNO3=NO3\n & + 3.9000D-01 * RKI( 34 ) * YC ( HNO4 ) ! HNO4=0.3900D+00*NO3+...\n & + 4.0000D-01 * RKI( 65 ) * YC ( PAN ) ! PAN=0.4000D+00*NO3+0.6000D+...\n & + 4.0000D-01 * RKI( 75 ) * YC ( PAN2 ) ! PAN2=0.4000D+00*NO3+...\n & + 4.0000D-01 * RKI( 86 ) * YC ( PBZN ) ! PBZN=0.4000D+00*NO3+...\n & + 4.0000D-01 * RKI( 98 ) * YC ( MAPAN ) ! MAPAN=0.4000D+00*NO3+...\n & + RKI( 269 ) * YC ( HCOCO3 ) * YCP( NO2 ) ! HCOCO3+NO2=NO3+CO+CO2+HO2\n & + RKI( 601 ) * YC ( CLONO2 ) ! CLONO2=NO3+CL\n & + RKI( 603 ) * YC ( CL ) * YC ( CLONO2 ) ! CL+CLONO2=NO3+CL2\n & + 3.1000D-01 * RKI( 735 ) * YC ( ISOPNOOD ) * YC ( NO ) ! ISOPNOOD+NO=0.3100D+00*NO3+...\n & + 1.5500D-01 * RKI( 737 ) * YC ( ISOPNOOD ) * YC ( MEO2 ) ! ISOPNOOD+MEO2=0.1550D+...\n & + 1.5500D-01 * RKI( 738 ) * YC ( ISOPNOOD ) * YC ( RO2C ) ! ISOPNOOD+RO2C=0.1550D+...\n & + 3.1000D-01 * RKI( 739 ) * YC ( ISOPNOOD ) * YC ( MECO3 ) ! ISOPNOOD+MECO3=0.3100D+...\n & + RKI( 805 ) * YC ( MVKN ) * YCP( OH ) ! MVKN+OH=NO3+0.6500D+...\n & + 1.5000D-01 * RKI( 807 ) * YC ( MACRN ) * YCP( OH ) ! MACRN+OH=0.1500D+00*NO3+...\n & + 4.0000D-01 * RKI( 841 ) * YC ( IMAPAN ) ! IMAPAN=0.4000D+00*NO3+...\n & + 8.1000D-01 * RKI( 877 ) * YC ( IMAPAN ) * YCP( OH ) ! IMAPAN+OH=0.8100D+00*NO3+...\n\nc..Loss frequency of NO3 ( except NO3 + NO3 if present )\n L15 = RKI( 9 ) * YCP( NO ) ! NO3+NO=0.2000D+...\n & + RKI( 11 ) * YCP( NO2 ) ! NO3+NO2=N2O5\n & + RKI( 15 ) * YCP( NO2 ) ! NO3+NO2=NO+NO2\n & + RKI( 16 ) ! NO3=NO\n & + RKI( 17 ) ! NO3=NO2+O3P\n & + RKI( 26 ) * YCP( OH ) ! NO3+OH=HO2+NO2\n & + RKI( 39 ) * YCP( HO2 ) ! NO3+HO2=0.8000D+...\n & + RKI( 49 ) * YC ( MEO2 ) ! NO3+MEO2=HCHO+...\n & + RKI( 54 ) * YC ( RO2C ) ! NO3+RO2C=NO2\n & + RKI( 59 ) * YC ( RO2XC ) ! NO3+RO2XC=NO2\n & + RKI( 68 ) * YC ( MECO3 ) ! NO3+MECO3=MEO2+...\n & + RKI( 78 ) * YC ( RCO3 ) ! NO3+RCO3=NO2+...\n & + RKI( 89 ) * YC ( BZCO3 ) ! NO3+BZCO3=NO2+...\n & + RKI( 197 ) * YC ( HCHO ) ! NO3+HCHO=HNO3+HO2+CO\n & + RKI( 200 ) * YC ( CCHO ) ! NO3+CCHO=HNO3+MECO3\n & + RKI( 203 ) * YC ( RCHO ) ! NO3+RCHO=HNO3+RCO3\n & + RKI( 223 ) * YC ( GLY ) ! NO3+GLY=HNO3+...\n & + RKI( 226 ) * YC ( MGLY ) ! NO3+MGLY=HNO3+CO+...\n & + RKI( 229 ) * YC ( CRES ) ! NO3+CRES=HNO3+BZO\n & + RKI( 235 ) * YC ( BALD ) ! NO3+BALD=HNO3+BZCO3\n & + RKI( 251 ) * YC ( IPRD ) ! NO3+IPRD=0.1500D+...\n & + RKI( 258 ) * YC ( HOCCHO ) ! NO3+HOCCHO=HNO3+...\n & + RKI( 261 ) * YC ( ACROLEIN ) ! NO3+ACROLEIN=...\n & + RKI( 526 ) * YC ( ETHENE ) ! NO3+ETHENE=xHO2+...\n & + RKI( 530 ) * YC ( PROPENE ) ! NO3+PROPENE=...\n & + RKI( 534 ) * YC ( BUTADIENE13 ) ! NO3+BUTADIENE13=...\n & + RKI( 540 ) * YC ( APIN ) ! NO3+APIN=0.5600D-...\n & + RKI( 559 ) * YC ( OLE1 ) ! NO3+OLE1=0.7720D+...\n & + RKI( 563 ) * YC ( OLE2 ) ! NO3+OLE2=0.4000D+...\n & + RKI( 570 ) * YC ( TERP ) ! NO3+TERP=TERPNRO2\n & + RKI( 573 ) * YC ( TERPNRO2 ) ! NO3+TERPNRO2=...\n & + RKI( 585 ) * YC ( SESQ ) ! NO3+SESQ=0.2270D+...\n & + RKI( 597 ) * YC ( CL ) ! NO3+CL=CLO+NO2\n & + RKI( 719 ) * YC ( ISOPRENE ) ! NO3+ISOPRENE=NISOPO2\n & + RKI( 720 ) * YC ( NISOPO2 ) ! NO3+NISOPO2=...\n & + RKI( 748 ) * YC ( NIT1 ) ! NO3+NIT1=0.6000D+...\n & + RKI( 749 ) * YC ( NIT1NO3OOA ) ! NO3+NIT1NO3OOA=...\n & + RKI( 756 ) * YC ( NIT1NO3OOB ) ! NO3+NIT1NO3OOB=...\n & + RKI( 787 ) * YC ( MACO3 ) ! NO3+MACO3=NO2+CO+...\n & + RKI( 824 ) * YC ( MACR ) ! NO3+MACR=0.5000D+...\n & + RKI( 829 ) * YC ( IMACO3 ) ! NO3+IMACO3=NO2+...\n & + RKI( 904 ) ! NO3=HNO3\n\nc..Loss frequency of N2O5\n L16 = RKI( 12 ) ! N2O5=NO2+NO3\n & + RKI( 13 ) ! N2O5=0.2000D+01*HNO3\n & + RKI( 14 ) ! N2O5=0.2000D+01*HNO3\n & + RKI( 885 ) ! N2O5=HNO3+H2NO3PIJ\n & + RKI( 886 ) ! N2O5=HNO3+H2NO3PK\n\nc..K15_15, R15_16, and R16_15 terms\n K15_15 = RKI( 40 ) * DTC\n\n R15_16 = ( RKI( 12 ) ) * DTC \n\n\n R16_15 = RKI( 11 ) * YCP( NO2 ) * DTC\n\nc..Solution of quadratic equation to get NO3 & N2O5\n CMN = 1.0D0 + L16 * DTC\n A = 2.0D0 * K15_15 * CMN\n B = CMN * ( 1.0D0 + L15 * DTC ) - R15_16 * R16_15\n C = CMN * ( YC0( NO3 ) + P15 * DTC ) + R15_16 * YC0( N2O5 )\n\n Q = -0.5D0 * ( B + SIGN( 1.0D0, B ) * SQRT( B * B + 4.0D0 * A * C ) )\n YCP( NO3 ) = MAX( Q / A , -C / Q )\n YCP( N2O5 ) = ( YC0( N2O5 ) + R16_15 * YCP( NO3 ) ) / CMN\n\n RETURN\n\n END\n" }, { "path": "CCTM/src/gas/ebi_saprc07tic_ae7i_aq/hrinit.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\n SUBROUTINE HRINIT\nC***********************************************************************\nC\nC FUNCTION: To initialize species tolerances, arrays, and indices\nC\nC PRECONDITIONS: For the SAPRC07TIC_AE7I_AQ mechanism\nC\nC RETURN VALUES: None\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 8, 2022\nC 21 Jun 10 J.Young: convert for Namelist redesign\nC 18 Jul 14 B.Hutzell: revised to use the RXNS_DATA and RXNS_FUNCTION\nC modules instead of include files\nC***********************************************************************\n\n USE UTILIO_DEFN\n USE HRDATA\n USE RXNS_DATA\n USE RXNS_FUNCTION\n\n IMPLICIT NONE\n\nC.....INCLUDES:\n Include SUBST_CONST ! common constants\n\nC.....ARGUMENTS: NONE\n\nC.....PARAMETERS: NONE\n\n\nC.....SAVED VARIABLES:\n CHARACTER( 16 ), SAVE :: PNAME = 'HRINIT' ! Program name\n\n\nC.....LOCAL VARIABLES:\n CHARACTER( 132 ) :: MSG ! Log message\n\n INTEGER N ! Loop index\n INTEGER IOS ! Allocate error status\n\nC***********************************************************************\n\n N_SPEC = NUMB_MECH_SPC\n N_RXNS = NRXNS\n N_SPCL_RKS = 0\n ALLOCATE( RKI( NRXNS ),\n & RKI_SAV( MAX_CELLS_EBI, NRXNS ),\n & FORWARD_CONV( NUMB_MECH_SPC),\n & REVERSE_CONV( NUMB_MECH_SPC),\n & RXRAT( NRXNS ),\n & RTOL( NUMB_MECH_SPC),\n & YC( NUMB_MECH_SPC),\n & YC0( NUMB_MECH_SPC),\n & YCP( NUMB_MECH_SPC),\n & PROD( NUMB_MECH_SPC),\n & LOSS( NUMB_MECH_SPC),\n & STAT = IOS )\n\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating RKI, RXRAT, RTOL, YC, YC0, YCP, FORWARD_CONV, '\n & // 'REVERSE_CONV, PROD, LOSS, or PNEG'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n ALLOCATE( ATMPRES( MAX_CELLS_EBI ),\n & H2O ( MAX_CELLS_EBI ),\n & TEMP ( MAX_CELLS_EBI ),\n & DENSITY( MAX_CELLS_EBI ),\n & HET ( MAX_CELLS_EBI, NHETERO ),\n & RJIN ( MAX_CELLS_EBI, NPHOTAB ),\n & SEAWATER ( MAX_CELLS_EBI ) ,\n & STAT = IOS )\n\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating ATMPRES, H2O, TEMP, HET, RJIN, SEAWATER '\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n IF( NSPECIAL .GT. 0 )THEN\n ALLOCATE( SYC( MAX_CELLS_EBI, NUMB_MECH_SPC ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating SYC'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n ALLOCATE( IOLD2NEW( NUMB_MECH_SPC, 1 ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating IOLD2NEW'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n DO N = 1, NUMB_MECH_SPC\n IOLD2NEW( N, 1 ) = N\n END DO\n END IF\n\n IF( .NOT. MAP_CHEMISTRY_SPECIES() )THEN\n MSG = 'Detected above error(s) when mapping Chemistry species from CGRID species'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n\n DO N = 1, NUMB_MECH_SPC\n FORWARD_CONV( N ) = 1.0E-3 * MWAIR / SPECIES_MOLWT( N )\n REVERSE_CONV( N ) = 1.0E+3 / MWAIR * SPECIES_MOLWT( N )\n END DO\n\n! initialize all reaction rates to zero so unused array elements are defined\n\n RXRAT = 0.0D0\n\n! initialize all production and loss rates to zero so unused array elements are defined\n\n PROD = 0.0D0\n LOSS = 0.0D0\n\n NING1 = 4\n NING2 = 4\n\n ALLOCATE( YCCELL( MODEL_SPECIES), STAT = IOS ) ! array for degradation routines\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating YCCELL '\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n\nc..Allocate and define ebi species\n\n N_EBISP = 217\n ALLOCATE( EBISP( N_EBISP ), STAT = IOS ) \n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating EBISP' \n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n EBISP( 1 ) = HNO3\n EBISP( 2 ) = CO\n EBISP( 3 ) = CO2\n EBISP( 4 ) = HO2H\n EBISP( 5 ) = SO2\n EBISP( 6 ) = SULF\n EBISP( 7 ) = SULRXN\n EBISP( 8 ) = MEO2\n EBISP( 9 ) = HCHO\n EBISP( 10 ) = COOH\n EBISP( 11 ) = MEOH\n EBISP( 12 ) = RO2C\n EBISP( 13 ) = RO2XC\n EBISP( 14 ) = CCOOOH\n EBISP( 15 ) = CCOOH\n EBISP( 16 ) = RCO3\n EBISP( 17 ) = PAN2\n EBISP( 18 ) = xHO2\n EBISP( 19 ) = yROOH\n EBISP( 20 ) = xCCHO\n EBISP( 21 ) = RCOOOH\n EBISP( 22 ) = RCOOH\n EBISP( 23 ) = BZCO3\n EBISP( 24 ) = PBZN\n EBISP( 25 ) = BZO\n EBISP( 26 ) = MACO3\n EBISP( 27 ) = MAPAN\n EBISP( 28 ) = TBUO\n EBISP( 29 ) = RNO3\n EBISP( 30 ) = ACETONE\n EBISP( 31 ) = NPHE\n EBISP( 32 ) = CRES\n EBISP( 33 ) = xOH\n EBISP( 34 ) = xNO2\n EBISP( 35 ) = xMEO2\n EBISP( 36 ) = xMECO3\n EBISP( 37 ) = xRCO3\n EBISP( 38 ) = xMACO3\n EBISP( 39 ) = xTBUO\n EBISP( 40 ) = xCO\n EBISP( 41 ) = CCHO\n EBISP( 42 ) = RCHO\n EBISP( 43 ) = xHCHO\n EBISP( 44 ) = MEK\n EBISP( 45 ) = zRNO3\n EBISP( 46 ) = xRCHO\n EBISP( 47 ) = HCOOH\n EBISP( 48 ) = xMGLY\n EBISP( 49 ) = xBACL\n EBISP( 50 ) = ROOH\n EBISP( 51 ) = xPROD2\n EBISP( 52 ) = R6OOH\n EBISP( 53 ) = PRD2\n EBISP( 54 ) = yR6OOH\n EBISP( 55 ) = RAOOH\n EBISP( 56 ) = MGLY\n EBISP( 57 ) = IPRD\n EBISP( 58 ) = xGLY\n EBISP( 59 ) = xMEK\n EBISP( 60 ) = xAFG1\n EBISP( 61 ) = xAFG2\n EBISP( 62 ) = GLY\n EBISP( 63 ) = AFG1\n EBISP( 64 ) = AFG2\n EBISP( 65 ) = HCOCO3\n EBISP( 66 ) = BACL\n EBISP( 67 ) = BALD\n EBISP( 68 ) = AFG3\n EBISP( 69 ) = xIPRD\n EBISP( 70 ) = MACR\n EBISP( 71 ) = MVK\n EBISP( 72 ) = xHOCCHO\n EBISP( 73 ) = xRNO3\n EBISP( 74 ) = HOCCHO\n EBISP( 75 ) = xACETONE\n EBISP( 76 ) = ACROLEIN\n EBISP( 77 ) = xBALD\n EBISP( 78 ) = xAFG3\n EBISP( 79 ) = xMACR\n EBISP( 80 ) = xMVK\n EBISP( 81 ) = xMTNO3\n EBISP( 82 ) = MTNO3\n EBISP( 83 ) = IMACO3\n EBISP( 84 ) = yRAOOH\n EBISP( 85 ) = zMTNO3\n EBISP( 86 ) = xACROLEIN\n EBISP( 87 ) = ETHENE\n EBISP( 88 ) = PROPENE\n EBISP( 89 ) = BUTADIENE13\n EBISP( 90 ) = ISOPRENE\n EBISP( 91 ) = APIN\n EBISP( 92 ) = TRPRXN\n EBISP( 93 ) = ACETYLENE\n EBISP( 94 ) = BENZENE\n EBISP( 95 ) = BENZRO2\n EBISP( 96 ) = TOLUENE\n EBISP( 97 ) = TOLRO2\n EBISP( 98 ) = MXYL\n EBISP( 99 ) = XYLRO2\n EBISP( 100 ) = OXYL\n EBISP( 101 ) = PXYL\n EBISP( 102 ) = TMBENZ124\n EBISP( 103 ) = ETOH\n EBISP( 104 ) = ALK1\n EBISP( 105 ) = ALK2\n EBISP( 106 ) = ALK3\n EBISP( 107 ) = ALK4\n EBISP( 108 ) = ALK5\n EBISP( 109 ) = SOAALK\n EBISP( 110 ) = SVAVB2\n EBISP( 111 ) = SVAVB3\n EBISP( 112 ) = SVAVB4\n EBISP( 113 ) = OLE1\n EBISP( 114 ) = OLE2\n EBISP( 115 ) = ARO1\n EBISP( 116 ) = ARO2MN\n EBISP( 117 ) = NAPHTHAL\n EBISP( 118 ) = PAHRO2\n EBISP( 119 ) = TERP\n EBISP( 120 ) = TERPNRO2\n EBISP( 121 ) = SESQ\n EBISP( 122 ) = SESQRXN\n EBISP( 123 ) = CL2\n EBISP( 124 ) = CL\n EBISP( 125 ) = CLNO\n EBISP( 126 ) = CLONO\n EBISP( 127 ) = CLNO2\n EBISP( 128 ) = HCL\n EBISP( 129 ) = CLO\n EBISP( 130 ) = CLONO2\n EBISP( 131 ) = HOCL\n EBISP( 132 ) = xCL\n EBISP( 133 ) = xCLCCHO\n EBISP( 134 ) = xCLACET\n EBISP( 135 ) = CLCCHO\n EBISP( 136 ) = CLACET\n EBISP( 137 ) = CLCHO\n EBISP( 138 ) = SVAVB1\n EBISP( 139 ) = HCHO_PRIMARY\n EBISP( 140 ) = CCHO_PRIMARY\n EBISP( 141 ) = ACRO_PRIMARY\n EBISP( 142 ) = ISOPO2\n EBISP( 143 ) = ISOPRXN\n EBISP( 144 ) = ISOPND\n EBISP( 145 ) = ISOPNB\n EBISP( 146 ) = HC5\n EBISP( 147 ) = DIBOO\n EBISP( 148 ) = ISOPOOH\n EBISP( 149 ) = HPALD\n EBISP( 150 ) = HACET\n EBISP( 151 ) = NISOPO2\n EBISP( 152 ) = NIT1\n EBISP( 153 ) = NISOPOOH\n EBISP( 154 ) = HC5OO\n EBISP( 155 ) = DHMOB\n EBISP( 156 ) = ISOPNOOD\n EBISP( 157 ) = PROPNN\n EBISP( 158 ) = MVKN\n EBISP( 159 ) = ETHLN\n EBISP( 160 ) = RNO3I\n EBISP( 161 ) = ISOPNOOB\n EBISP( 162 ) = MACRN\n EBISP( 163 ) = NIT1NO3OOA\n EBISP( 164 ) = NIT1NO3OOB\n EBISP( 165 ) = ISOPNN\n EBISP( 166 ) = NIT1OHOO\n EBISP( 167 ) = MVKOO\n EBISP( 168 ) = MACROO\n EBISP( 169 ) = PYRUACD\n EBISP( 170 ) = IEPOX\n EBISP( 171 ) = IEPOXOO\n EBISP( 172 ) = IMPAA\n EBISP( 173 ) = IMAPAN\n EBISP( 174 ) = IMAE\n EBISP( 175 ) = IHMML\n EBISP( 176 ) = H2NO3PIJ\n EBISP( 177 ) = H2NO3PK\n EBISP( 178 ) = ACLI\n EBISP( 179 ) = ACLJ\n EBISP( 180 ) = ACLK\n EBISP( 181 ) = IEPOXP\n EBISP( 182 ) = IMAEP\n EBISP( 183 ) = IHMMLP\n EBISP( 184 ) = AIETETJ\n EBISP( 185 ) = ASO4J\n EBISP( 186 ) = AIEOSJ\n EBISP( 187 ) = ADIMJ\n EBISP( 188 ) = AIMGAJ\n EBISP( 189 ) = AIMOSJ\n EBISP( 190 ) = AISO1J\n EBISP( 191 ) = AOLGBJ\n EBISP( 192 ) = AISO2J\n EBISP( 193 ) = ASQTJ\n EBISP( 194 ) = AAVB2J\n EBISP( 195 ) = AOLGAJ\n EBISP( 196 ) = AAVB3J\n EBISP( 197 ) = AAVB4J\n EBISP( 198 ) = APOCI\n EBISP( 199 ) = APNCOMI\n EBISP( 200 ) = APOCJ\n EBISP( 201 ) = APNCOMJ\n EBISP( 202 ) = PCVOC\n EBISP( 203 ) = PCSOARXN\n EBISP( 204 ) = VLVPO1\n EBISP( 205 ) = VSVPO1\n EBISP( 206 ) = VSVPO2\n EBISP( 207 ) = VSVPO3\n EBISP( 208 ) = VIVPO1\n EBISP( 209 ) = VLVOO1\n EBISP( 210 ) = VLVOO2\n EBISP( 211 ) = VSVOO2\n EBISP( 212 ) = VSVOO3\n EBISP( 213 ) = VSVOO1\n EBISP( 214 ) = AMTNO3J\n EBISP( 215 ) = AMTHYDJ\n EBISP( 216 ) = AISOPNNJ\n EBISP( 217 ) = AGLYJ\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Set species tolerances\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n RTOL( NO2 ) = 5.0D-04\n RTOL( NO ) = 5.0D-04\n RTOL( O3P ) = 1.0D+00\n RTOL( O3 ) = 5.0D-04\n RTOL( NO3 ) = 5.0D-04\n RTOL( N2O5 ) = 5.0D-04\n RTOL( HNO3 ) = 5.0D-04\n RTOL( O1D ) = 1.0D+00\n RTOL( OH ) = 5.0D-04\n RTOL( HONO ) = 5.0D-04\n RTOL( HO2 ) = 5.0D-04\n RTOL( CO ) = 5.0D-04\n RTOL( CO2 ) = 5.0D-04\n RTOL( HNO4 ) = 5.0D-04\n RTOL( HO2H ) = 5.0D-04\n RTOL( SO2 ) = 5.0D-04\n RTOL( SULF ) = 1.0D+00\n RTOL( SULRXN ) = 1.0D+00\n RTOL( MEO2 ) = 5.0D-04\n RTOL( HCHO ) = 5.0D-04\n RTOL( COOH ) = 5.0D-04\n RTOL( MEOH ) = 5.0D-04\n RTOL( RO2C ) = 5.0D-04\n RTOL( RO2XC ) = 5.0D-04\n RTOL( MECO3 ) = 5.0D-04\n RTOL( PAN ) = 5.0D-04\n RTOL( CCOOOH ) = 5.0D-04\n RTOL( CCOOH ) = 5.0D-04\n RTOL( RCO3 ) = 5.0D-04\n RTOL( PAN2 ) = 5.0D-04\n RTOL( xHO2 ) = 5.0D-04\n RTOL( yROOH ) = 5.0D-04\n RTOL( xCCHO ) = 5.0D-04\n RTOL( RCOOOH ) = 5.0D-04\n RTOL( RCOOH ) = 5.0D-04\n RTOL( BZCO3 ) = 5.0D-04\n RTOL( PBZN ) = 5.0D-04\n RTOL( BZO ) = 5.0D-04\n RTOL( MACO3 ) = 5.0D-04\n RTOL( MAPAN ) = 5.0D-04\n RTOL( TBUO ) = 5.0D-04\n RTOL( RNO3 ) = 5.0D-04\n RTOL( ACETONE ) = 5.0D-04\n RTOL( NPHE ) = 5.0D-04\n RTOL( CRES ) = 5.0D-04\n RTOL( xOH ) = 5.0D-04\n RTOL( xNO2 ) = 5.0D-04\n RTOL( xMEO2 ) = 5.0D-04\n RTOL( xMECO3 ) = 5.0D-04\n RTOL( xRCO3 ) = 5.0D-04\n RTOL( xMACO3 ) = 5.0D-04\n RTOL( xTBUO ) = 5.0D-04\n RTOL( xCO ) = 5.0D-04\n RTOL( CCHO ) = 5.0D-04\n RTOL( RCHO ) = 5.0D-04\n RTOL( xHCHO ) = 5.0D-04\n RTOL( MEK ) = 5.0D-04\n RTOL( zRNO3 ) = 5.0D-04\n RTOL( xRCHO ) = 5.0D-04\n RTOL( HCOOH ) = 5.0D-04\n RTOL( xMGLY ) = 5.0D-04\n RTOL( xBACL ) = 5.0D-04\n RTOL( ROOH ) = 5.0D-04\n RTOL( xPROD2 ) = 5.0D-04\n RTOL( R6OOH ) = 5.0D-04\n RTOL( PRD2 ) = 5.0D-04\n RTOL( yR6OOH ) = 5.0D-04\n RTOL( RAOOH ) = 5.0D-04\n RTOL( MGLY ) = 5.0D-04\n RTOL( IPRD ) = 5.0D-04\n RTOL( xGLY ) = 5.0D-04\n RTOL( xMEK ) = 5.0D-04\n RTOL( xAFG1 ) = 5.0D-04\n RTOL( xAFG2 ) = 5.0D-04\n RTOL( GLY ) = 5.0D-04\n RTOL( AFG1 ) = 5.0D-04\n RTOL( AFG2 ) = 5.0D-04\n RTOL( HCOCO3 ) = 5.0D-04\n RTOL( BACL ) = 5.0D-04\n RTOL( BALD ) = 5.0D-04\n RTOL( AFG3 ) = 5.0D-04\n RTOL( xIPRD ) = 5.0D-04\n RTOL( MACR ) = 5.0D-04\n RTOL( MVK ) = 5.0D-04\n RTOL( xHOCCHO ) = 5.0D-04\n RTOL( xRNO3 ) = 5.0D-04\n RTOL( HOCCHO ) = 5.0D-04\n RTOL( xACETONE ) = 5.0D-04\n RTOL( ACROLEIN ) = 5.0D-04\n RTOL( xBALD ) = 5.0D-04\n RTOL( xAFG3 ) = 5.0D-04\n RTOL( xMACR ) = 5.0D-04\n RTOL( xMVK ) = 5.0D-04\n RTOL( xMTNO3 ) = 5.0D-04\n RTOL( MTNO3 ) = 5.0D-04\n RTOL( IMACO3 ) = 5.0D-04\n RTOL( yRAOOH ) = 5.0D-04\n RTOL( zMTNO3 ) = 5.0D-04\n RTOL( xACROLEIN ) = 5.0D-04\n RTOL( ETHENE ) = 5.0D-04\n RTOL( PROPENE ) = 5.0D-04\n RTOL( BUTADIENE13 ) = 5.0D-04\n RTOL( ISOPRENE ) = 5.0D-04\n RTOL( APIN ) = 5.0D-04\n RTOL( TRPRXN ) = 1.0D+00\n RTOL( ACETYLENE ) = 5.0D-04\n RTOL( BENZENE ) = 5.0D-04\n RTOL( BENZRO2 ) = 5.0D-04\n RTOL( TOLUENE ) = 5.0D-04\n RTOL( TOLRO2 ) = 5.0D-04\n RTOL( MXYL ) = 5.0D-04\n RTOL( XYLRO2 ) = 5.0D-04\n RTOL( OXYL ) = 5.0D-04\n RTOL( PXYL ) = 5.0D-04\n RTOL( TMBENZ124 ) = 5.0D-04\n RTOL( ETOH ) = 5.0D-04\n RTOL( ALK1 ) = 5.0D-04\n RTOL( ALK2 ) = 5.0D-04\n RTOL( ALK3 ) = 5.0D-04\n RTOL( ALK4 ) = 5.0D-04\n RTOL( ALK5 ) = 5.0D-04\n RTOL( SOAALK ) = 5.0D-04\n RTOL( SVAVB2 ) = 5.0D-04\n RTOL( SVAVB3 ) = 5.0D-04\n RTOL( SVAVB4 ) = 5.0D-04\n RTOL( OLE1 ) = 5.0D-04\n RTOL( OLE2 ) = 5.0D-04\n RTOL( ARO1 ) = 5.0D-04\n RTOL( ARO2MN ) = 5.0D-04\n RTOL( NAPHTHAL ) = 5.0D-04\n RTOL( PAHRO2 ) = 1.0D+00\n RTOL( TERP ) = 5.0D-04\n RTOL( TERPNRO2 ) = 5.0D-04\n RTOL( SESQ ) = 5.0D-04\n RTOL( SESQRXN ) = 1.0D+00\n RTOL( CL2 ) = 5.0D-04\n RTOL( CL ) = 5.0D-04\n RTOL( CLNO ) = 5.0D-04\n RTOL( CLONO ) = 5.0D-04\n RTOL( CLNO2 ) = 5.0D-04\n RTOL( HCL ) = 5.0D-04\n RTOL( CLO ) = 5.0D-04\n RTOL( CLONO2 ) = 5.0D-04\n RTOL( HOCL ) = 5.0D-04\n RTOL( xCL ) = 5.0D-04\n RTOL( xCLCCHO ) = 5.0D-04\n RTOL( xCLACET ) = 5.0D-04\n RTOL( CLCCHO ) = 5.0D-04\n RTOL( CLACET ) = 5.0D-04\n RTOL( CLCHO ) = 5.0D-04\n RTOL( SVAVB1 ) = 5.0D-04\n RTOL( HCHO_PRIMARY ) = 5.0D-04\n RTOL( CCHO_PRIMARY ) = 5.0D-04\n RTOL( ACRO_PRIMARY ) = 5.0D-04\n RTOL( ISOPO2 ) = 5.0D-04\n RTOL( ISOPRXN ) = 1.0D+00\n RTOL( ISOPND ) = 5.0D-04\n RTOL( ISOPNB ) = 5.0D-04\n RTOL( HC5 ) = 5.0D-04\n RTOL( DIBOO ) = 5.0D-04\n RTOL( ISOPOOH ) = 5.0D-04\n RTOL( HPALD ) = 5.0D-04\n RTOL( HACET ) = 5.0D-04\n RTOL( NISOPO2 ) = 5.0D-04\n RTOL( NIT1 ) = 5.0D-04\n RTOL( NISOPOOH ) = 5.0D-04\n RTOL( HC5OO ) = 5.0D-04\n RTOL( DHMOB ) = 5.0D-04\n RTOL( ISOPNOOD ) = 5.0D-04\n RTOL( PROPNN ) = 5.0D-04\n RTOL( MVKN ) = 5.0D-04\n RTOL( ETHLN ) = 5.0D-04\n RTOL( RNO3I ) = 5.0D-04\n RTOL( ISOPNOOB ) = 5.0D-04\n RTOL( MACRN ) = 5.0D-04\n RTOL( NIT1NO3OOA ) = 5.0D-04\n RTOL( NIT1NO3OOB ) = 5.0D-04\n RTOL( ISOPNN ) = 5.0D-04\n RTOL( NIT1OHOO ) = 5.0D-04\n RTOL( MVKOO ) = 5.0D-04\n RTOL( MACROO ) = 5.0D-04\n RTOL( PYRUACD ) = 5.0D-04\n RTOL( IEPOX ) = 5.0D-04\n RTOL( IEPOXOO ) = 5.0D-04\n RTOL( IMPAA ) = 5.0D-04\n RTOL( IMAPAN ) = 5.0D-04\n RTOL( IMAE ) = 5.0D-04\n RTOL( IHMML ) = 5.0D-04\n RTOL( H2NO3PIJ ) = 5.0D-04\n RTOL( H2NO3PK ) = 5.0D-04\n RTOL( ACLI ) = 5.0D-04\n RTOL( ACLJ ) = 5.0D-04\n RTOL( ACLK ) = 5.0D-04\n RTOL( IEPOXP ) = 5.0D-04\n RTOL( IMAEP ) = 5.0D-04\n RTOL( IHMMLP ) = 5.0D-04\n RTOL( AIETETJ ) = 5.0D-04\n RTOL( ASO4J ) = 5.0D-04\n RTOL( AIEOSJ ) = 5.0D-04\n RTOL( ADIMJ ) = 5.0D-04\n RTOL( AIMGAJ ) = 5.0D-04\n RTOL( AIMOSJ ) = 5.0D-04\n RTOL( AISO1J ) = 5.0D-04\n RTOL( AOLGBJ ) = 5.0D-04\n RTOL( AISO2J ) = 5.0D-04\n RTOL( ASQTJ ) = 5.0D-04\n RTOL( AAVB2J ) = 5.0D-04\n RTOL( AOLGAJ ) = 5.0D-04\n RTOL( AAVB3J ) = 5.0D-04\n RTOL( AAVB4J ) = 5.0D-04\n RTOL( APOCI ) = 5.0D-04\n RTOL( APNCOMI ) = 5.0D-04\n RTOL( APOCJ ) = 5.0D-04\n RTOL( APNCOMJ ) = 5.0D-04\n RTOL( PCVOC ) = 5.0D-04\n RTOL( PCSOARXN ) = 5.0D-04\n RTOL( VLVPO1 ) = 5.0D-04\n RTOL( VSVPO1 ) = 5.0D-04\n RTOL( VSVPO2 ) = 5.0D-04\n RTOL( VSVPO3 ) = 5.0D-04\n RTOL( VIVPO1 ) = 5.0D-04\n RTOL( VLVOO1 ) = 5.0D-04\n RTOL( VLVOO2 ) = 5.0D-04\n RTOL( VSVOO2 ) = 5.0D-04\n RTOL( VSVOO3 ) = 5.0D-04\n RTOL( VSVOO1 ) = 5.0D-04\n RTOL( AMTNO3J ) = 5.0D-04\n RTOL( AMTHYDJ ) = 5.0D-04\n RTOL( AISOPNNJ ) = 5.0D-04\n RTOL( AGLYJ ) = 5.0D-04\n\n\n RETURN\n\n END\n" }, { "path": "CCTM/src/gas/ebi_saprc07tic_ae7i_aq/hrprodloss.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE HRPRODLOSS\n\nC***********************************************************************\nC\nC FUNCTION: To compute the production and loss rates for EBI species\nC\nC PRECONDITIONS: For the SAPRC07TIC_AE7I_AQ mechanism\nC\nC RETURN VALUES: None\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 8, 2022\nC\nC 18 Jul 14 B.Hutzell: revised to use real(8) variables\n\nC***********************************************************************\n USE HRDATA\n\n IMPLICIT NONE\n\n\nC.....INCLUDES: NONE\n\n\nC.....ARGUMENTS: NONE\n\n\nC.....PARAMETERS: NONE\n\n\nC.....EXTERNAL FUNCTIONS: NONE\n\n\nC.....SAVED VARIABLES: NONE\n! CHARACTER( 16 ), SAVE :: PNAME = 'HRPRODLOSS' ! Program name\n\n\nC.....LOCAL VARIABLES:\n\n\nC***********************************************************************\n\n\n PROD( HNO3 ) = 2.0000D+00 * RXRAT( 13 ) ! N2O5=0.2000D+01*HNO3\n & + 2.0000D+00 * RXRAT( 14 ) ! N2O5=0.2000D+01*HNO3\n & + RXRAT( 25 ) ! OH+NO2=HNO3\n & + 2.0000D-01 * RXRAT( 39 ) ! NO3+HO2=0.2000D+00*HNO3+...\n & + RXRAT( 197 ) ! HCHO+NO3=HNO3+HO2+CO\n & + RXRAT( 200 ) ! CCHO+NO3=HNO3+MECO3\n & + RXRAT( 203 ) ! RCHO+NO3=HNO3+RCO3\n & + RXRAT( 223 ) ! GLY+NO3=HNO3+0.7000D+...\n & + RXRAT( 226 ) ! MGLY+NO3=HNO3+CO+MECO3\n & + RXRAT( 229 ) ! CRES+NO3=HNO3+BZO\n & + RXRAT( 235 ) ! BALD+NO3=HNO3+BZCO3\n & + 1.5000D-01 * RXRAT( 251 ) ! IPRD+NO3=0.1500D+00*HNO3+...\n & + RXRAT( 258 ) ! HOCCHO+NO3=HNO3+MECO3\n & + 9.6700D-01 * RXRAT( 261 ) ! ACROLEIN+NO3=0.9670D+...\n & + 6.0000D-01 * RXRAT( 748 ) ! NIT1+NO3=0.6000D+00*HNO3+...\n & + 5.0000D-01 * RXRAT( 824 ) ! MACR+NO3=0.5000D+00*HNO3+...\n & + 5.0000D-01 * RXRAT( 884 ) ! NO2=0.5000D+00*HNO3+...\n & + RXRAT( 885 ) ! N2O5=HNO3+H2NO3PIJ\n & + RXRAT( 886 ) ! N2O5=HNO3+H2NO3PK\n & + RXRAT( 887 ) ! H2NO3PIJ=HNO3\n & + RXRAT( 888 ) ! H2NO3PK=HNO3\n & + RXRAT( 904 ) ! NO3=HNO3\n & + RXRAT( 926 ) ! AMTNO3J=HNO3+AMTHYDJ\n & + 2.0000D+00 * RXRAT( 927 ) ! AISOPNNJ=0.2000D+01*HNO3+...\n LOSS( HNO3 ) = RXRAT( 27 ) ! HNO3+OH=NO3\n & + RXRAT( 28 ) ! HNO3=OH+NO2\n\n PROD( CO ) = RXRAT( 184 ) ! xCO+NO=CO+NO\n & + RXRAT( 186 ) ! xCO+NO3=CO+NO3\n & + 5.0000D-01 * RXRAT( 187 ) ! xCO+MEO2=0.5000D+00*CO+MEO2\n & + 5.0000D-01 * RXRAT( 188 ) ! xCO+RO2C=0.5000D+00*CO+RO2C\n & + 5.0000D-01 * RXRAT( 189 ) ! xCO+RO2XC=0.5000D+00*CO+RO2XC\n & + RXRAT( 190 ) ! xCO+MECO3=CO+MECO3\n & + RXRAT( 191 ) ! xCO+RCO3=CO+RCO3\n & + RXRAT( 192 ) ! xCO+BZCO3=CO+BZCO3\n & + RXRAT( 193 ) ! xCO+MACO3=CO+MACO3\n & + RXRAT( 194 ) ! HCHO=CO+0.2000D+01*HO2\n & + RXRAT( 195 ) ! HCHO=CO\n & + RXRAT( 196 ) ! HCHO+OH=CO+HO2\n & + RXRAT( 197 ) ! HCHO+NO3=CO+HO2+HNO3\n & + RXRAT( 199 ) ! CCHO=CO+HO2+MEO2\n & + RXRAT( 202 ) ! RCHO=CO+xHO2+yROOH+xCCHO+...\n & + 3.8000D-01 * RXRAT( 205 ) ! ACETONE=0.3800D+00*CO+...\n & + 2.0000D+00 * RXRAT( 220 ) ! GLY=0.2000D+01*CO+0.2000D+...\n & + RXRAT( 221 ) ! GLY=CO+HCHO\n & + 1.4000D+00 * RXRAT( 222 ) ! GLY+OH=0.1400D+01*CO+...\n & + 1.4000D+00 * RXRAT( 223 ) ! GLY+NO3=0.1400D+01*CO+...\n & + RXRAT( 224 ) ! MGLY=CO+HO2+MECO3\n & + RXRAT( 225 ) ! MGLY+OH=CO+MECO3\n & + RXRAT( 226 ) ! MGLY+NO3=CO+HNO3+MECO3\n & + 5.2200D-01 * RXRAT( 237 ) ! AFG1+O3=0.5220D+00*CO+...\n & + 6.9500D-01 * RXRAT( 238 ) ! AFG1=0.6950D+00*CO+0.1730D+...\n & + 5.2200D-01 * RXRAT( 240 ) ! AFG2+O3=0.5220D+00*CO+...\n & + 5.8000D-01 * RXRAT( 243 ) ! AFG3+O3=0.5800D+00*CO+...\n & + 4.5000D-01 * RXRAT( 244 ) ! MACR+O3=0.4500D+00*CO+...\n & + 4.7500D-01 * RXRAT( 246 ) ! MVK+O3=0.4750D+00*CO+...\n & + 6.0000D-01 * RXRAT( 248 ) ! MVK=0.6000D+00*CO+0.4000D+...\n & + 4.9800D-01 * RXRAT( 250 ) ! IPRD+O3=0.4980D+00*CO+...\n & + 1.2330D+00 * RXRAT( 252 ) ! IPRD=0.1233D+01*CO+0.4670D+...\n & + RXRAT( 257 ) ! HOCCHO=CO+0.2000D+01*HO2+HCHO\n & + 1.0050D+00 * RXRAT( 260 ) ! ACROLEIN+O3=0.1005D+01*CO+...\n & + 1.1880D+00 * RXRAT( 263 ) ! ACROLEIN=0.1188D+01*CO+...\n & + RXRAT( 268 ) ! HCOCO3+NO=CO+HO2+CO2+NO2\n & + RXRAT( 269 ) ! HCOCO3+NO2=CO+HO2+CO2+NO3\n & + 4.4000D-01 * RXRAT( 270 ) ! HCOCO3+HO2=0.4400D+00*CO+...\n & + 5.1000D-01 * RXRAT( 525 ) ! ETHENE+O3=0.5100D+00*CO+...\n & + 5.1000D-01 * RXRAT( 527 ) ! ETHENE+O3P=0.5100D+00*CO+...\n & + 5.2500D-01 * RXRAT( 529 ) ! PROPENE+O3=0.5250D+00*CO+...\n & + 2.5500D-01 * RXRAT( 533 ) ! BUTADIENE13+O3=0.2550D+...\n & + 2.7500D-01 * RXRAT( 536 ) ! ISOPRENE+O3=0.2750D+00*CO+...\n & + 2.9000D-02 * RXRAT( 539 ) ! APIN+O3=0.2900D-01*CO+...\n & + 3.0000D-01 * RXRAT( 542 ) ! ACETYLENE+OH=0.3000D+00*CO+...\n & + 1.5000D+00 * RXRAT( 543 ) ! ACETYLENE+O3=0.1500D+01*CO+...\n & + 3.0300D-01 * RXRAT( 558 ) ! OLE1+O3=0.3030D+00*CO+...\n & + 2.9900D-01 * RXRAT( 562 ) ! OLE2+O3=0.2990D+00*CO+...\n & + 2.4900D-01 * RXRAT( 569 ) ! TERP+O3=0.2490D+00*CO+...\n & + 1.2000D-02 * RXRAT( 571 ) ! TERPNRO2+NO=0.1200D-01*CO+...\n & + 2.2000D-02 * RXRAT( 573 ) ! TERPNRO2+NO3=0.2200D-01*CO+...\n & + 1.1000D-02 * RXRAT( 574 ) ! TERPNRO2+MEO2=0.1100D-...\n & + 1.1000D-02 * RXRAT( 575 ) ! TERPNRO2+RO2C=0.1100D-...\n & + 1.1000D-02 * RXRAT( 576 ) ! TERPNRO2+RO2XC=0.1100D-...\n & + 2.2000D-02 * RXRAT( 577 ) ! TERPNRO2+MECO3=0.2200D-...\n & + 2.2000D-02 * RXRAT( 578 ) ! TERPNRO2+RCO3=0.2200D-...\n & + 2.2000D-02 * RXRAT( 579 ) ! TERPNRO2+BZCO3=0.2200D-...\n & + 2.2000D-02 * RXRAT( 580 ) ! TERPNRO2+MACO3=0.2200D-...\n & + 2.2000D-02 * RXRAT( 581 ) ! TERPNRO2+IMACO3=0.2200D-...\n & + 2.4900D-01 * RXRAT( 584 ) ! SESQ+O3=0.2490D+00*CO+...\n & + RXRAT( 609 ) ! HCHO+CL=CO+HO2+HCL\n & + 1.2600D+00 * RXRAT( 617 ) ! GLY+CL=0.1260D+01*CO+...\n & + RXRAT( 618 ) ! MGLY+CL=CO+HCL+MECO3\n & + RXRAT( 627 ) ! CLCCHO=CO+HO2+RO2C+xCL+...\n & + RXRAT( 667 ) ! ACETYLENE+CL=CO+HO2\n & + 9.0000D-02 * RXRAT( 728 ) ! HC5OO+NO=0.9000D-01*CO+...\n & + 4.5000D-02 * RXRAT( 730 ) ! HC5OO+MEO2=0.4500D-01*CO+...\n & + 4.5000D-02 * RXRAT( 731 ) ! HC5OO+RO2C=0.4500D-01*CO+...\n & + 9.0000D-02 * RXRAT( 732 ) ! HC5OO+MECO3=0.9000D-01*CO+...\n & + 5.9000D-01 * RXRAT( 733 ) ! HC5+O3=0.5900D+00*CO+...\n & + 2.9000D-02 * RXRAT( 740 ) ! ISOPND+O3=0.2900D-01*CO+...\n & + 2.6000D-01 * RXRAT( 747 ) ! ISOPNB+O3=0.2600D+00*CO+...\n & + RXRAT( 749 ) ! NIT1NO3OOA+NO3=CO+PROPNN+...\n & + RXRAT( 750 ) ! NIT1NO3OOA+NO=CO+PROPNN+...\n & + RXRAT( 753 ) ! NIT1NO3OOA+RO2C=CO+PROPNN+...\n & + RXRAT( 754 ) ! NIT1NO3OOA+MEO2=CO+PROPNN+...\n & + RXRAT( 755 ) ! NIT1NO3OOA+MECO3=CO+...\n & + 4.5000D-01 * RXRAT( 762 ) ! NIT1+O3=0.4500D+00*CO+...\n & + 1.5000D-02 * RXRAT( 764 ) ! NIT1OHOO+NO=0.1500D-01*CO+...\n & + 1.1000D-02 * RXRAT( 766 ) ! NIT1OHOO+RO2C=0.1100D-...\n & + 1.1000D-02 * RXRAT( 767 ) ! NIT1OHOO+MEO2=0.1100D-...\n & + 1.6000D-02 * RXRAT( 768 ) ! NIT1OHOO+MECO3=0.1600D-...\n & + 7.2000D-01 * RXRAT( 780 ) ! MACROO+NO=0.7200D+00*CO+...\n & + 4.2400D-01 * RXRAT( 782 ) ! MACROO+MEO2=0.4240D+00*CO+...\n & + 4.2400D-01 * RXRAT( 783 ) ! MACROO+RO2C=0.4240D+00*CO+...\n & + 8.5000D-01 * RXRAT( 784 ) ! MACROO+MECO3=0.8500D+00*CO+...\n & + RXRAT( 785 ) ! MACO3+NO=CO+NO2+CO2+HCHO+MEO2\n & + RXRAT( 787 ) ! MACO3+NO3=CO+NO2+CO2+HCHO+MEO2\n & + RXRAT( 788 ) ! MACO3+MEO2=CO+HO2+0.2000D+...\n & + RXRAT( 789 ) ! MACO3+RO2C=CO+CO2+HCHO+MEO2\n & + RXRAT( 790 ) ! MACO3+RO2XC=CO+CO2+HCHO+MEO2\n & + RXRAT( 791 ) ! MACO3+MECO3=CO+0.2000D+...\n & + RXRAT( 792 ) ! MACO3+RCO3=CO+0.2000D+...\n & + RXRAT( 793 ) ! MACO3+BZCO3=CO+0.2000D+...\n & + 2.0000D+00 * RXRAT( 794 ) ! MACO3+MACO3=0.2000D+01*CO+...\n & + RXRAT( 795 ) ! MAPAN+OH=CO+HACET+NO2\n & + 5.2000D-01 * RXRAT( 796 ) ! HOCCHO+OH=0.5200D+00*CO+...\n & + 5.0000D-02 * RXRAT( 797 ) ! HACET+OH=0.5000D-01*CO+...\n & + RXRAT( 800 ) ! ETHLN=CO+HCHO+HO2+NO2\n & + RXRAT( 808 ) ! MACRN=CO+NO2+HACET+HO2\n & + 1.5000D+00 * RXRAT( 809 ) ! DHMOB+OH=0.1500D+01*CO+...\n & + 2.5100D-01 * RXRAT( 814 ) ! IEPOXOO+HO2=0.2510D+00*CO+...\n & + 2.5100D-01 * RXRAT( 815 ) ! IEPOXOO+NO=0.2510D+00*CO+...\n & + 1.2600D-01 * RXRAT( 816 ) ! IEPOXOO+MEO2=0.1260D+00*CO+...\n & + 1.2600D-01 * RXRAT( 817 ) ! IEPOXOO+RO2C=0.1260D+00*CO+...\n & + 2.5100D-01 * RXRAT( 818 ) ! IEPOXOO+MECO3=0.2510D+...\n & + 6.7000D-01 * RXRAT( 825 ) ! MACR=0.6700D+00*CO+0.6700D+...\n & + RXRAT( 827 ) ! IMACO3+NO=CO+NO2+CO2+HCHO+MEO2\n & + RXRAT( 829 ) ! IMACO3+NO3=CO+NO2+CO2+HCHO+...\n & + RXRAT( 830 ) ! IMACO3+MEO2=CO+HO2+0.2000D+...\n & + RXRAT( 831 ) ! IMACO3+RO2C=CO+CO2+HCHO+MEO2\n & + RXRAT( 832 ) ! IMACO3+RO2XC=CO+CO2+HCHO+MEO2\n & + RXRAT( 833 ) ! IMACO3+MECO3=CO+0.2000D+...\n & + RXRAT( 834 ) ! IMACO3+RCO3=CO+0.2000D+...\n & + RXRAT( 835 ) ! IMACO3+BZCO3=CO+0.2000D+...\n & + 2.0000D+00 * RXRAT( 836 ) ! IMACO3+MACO3=0.2000D+01*CO+...\n & + 2.0000D+00 * RXRAT( 837 ) ! IMACO3+IMACO3=0.2000D+...\n & + RXRAT( 838 ) ! MACROO=CO+HACET+OH\n & + RXRAT( 842 ) ! xCO+IMACO3=CO+IMACO3\n & + 3.0000D-02 * RXRAT( 877 ) ! IMAPAN+OH=0.3000D-01*CO+...\n LOSS( CO ) = RXRAT( 29 ) ! CO+OH=HO2+CO2\n\n PROD( CO2 ) = RXRAT( 29 ) ! OH+CO=CO2+HO2\n & + 4.0000D-01 * RXRAT( 65 ) ! PAN=0.4000D+00*CO2+0.6000D+...\n & + RXRAT( 66 ) ! MECO3+NO=CO2+MEO2+NO2\n & + 4.4000D-01 * RXRAT( 67 ) ! MECO3+HO2=0.4400D+00*CO2+...\n & + RXRAT( 68 ) ! MECO3+NO3=CO2+MEO2+NO2\n & + 9.0000D-01 * RXRAT( 69 ) ! MECO3+MEO2=0.9000D+00*CO2+...\n & + RXRAT( 70 ) ! MECO3+RO2C=CO2+MEO2\n & + RXRAT( 71 ) ! MECO3+RO2XC=CO2+MEO2\n & + 2.0000D+00 * RXRAT( 72 ) ! MECO3+MECO3=0.2000D+01*CO2+...\n & + 4.0000D-01 * RXRAT( 75 ) ! PAN2=0.4000D+00*CO2+...\n & + RXRAT( 76 ) ! RCO3+NO=CO2+RO2C+xHO2+...\n & + 4.4000D-01 * RXRAT( 77 ) ! RCO3+HO2=0.4400D+00*CO2+...\n & + RXRAT( 78 ) ! RCO3+NO3=CO2+RO2C+xHO2+...\n & + RXRAT( 79 ) ! RCO3+MEO2=CO2+HO2+RO2C+...\n & + RXRAT( 80 ) ! RCO3+RO2C=CO2+xHO2+xCCHO+...\n & + RXRAT( 81 ) ! RCO3+RO2XC=CO2+xHO2+xCCHO+...\n & + 2.0000D+00 * RXRAT( 82 ) ! RCO3+MECO3=0.2000D+01*CO2+...\n & + 2.0000D+00 * RXRAT( 83 ) ! RCO3+RCO3=0.2000D+01*CO2+...\n & + 4.0000D-01 * RXRAT( 86 ) ! PBZN=0.4000D+00*CO2+...\n & + RXRAT( 87 ) ! BZCO3+NO=CO2+NO2+BZO+RO2C\n & + 4.4000D-01 * RXRAT( 88 ) ! BZCO3+HO2=0.4400D+00*CO2+...\n & + RXRAT( 89 ) ! BZCO3+NO3=CO2+NO2+BZO+RO2C\n & + RXRAT( 90 ) ! BZCO3+MEO2=CO2+HO2+RO2C+...\n & + RXRAT( 91 ) ! BZCO3+RO2C=CO2+BZO+RO2C\n & + RXRAT( 92 ) ! BZCO3+RO2XC=CO2+BZO+RO2C\n & + 2.0000D+00 * RXRAT( 93 ) ! BZCO3+MECO3=0.2000D+01*CO2+...\n & + 2.0000D+00 * RXRAT( 94 ) ! BZCO3+RCO3=0.2000D+01*CO2+...\n & + 2.0000D+00 * RXRAT( 95 ) ! BZCO3+BZCO3=0.2000D+01*CO2+...\n & + 4.0000D-01 * RXRAT( 98 ) ! MAPAN=0.4000D+00*CO2+...\n & + RXRAT( 209 ) ! HCOOH+OH=CO2+HO2\n & + 5.0900D-01 * RXRAT( 210 ) ! CCOOH+OH=0.5090D+00*CO2+...\n & + 1.4300D-01 * RXRAT( 211 ) ! RCOOH+OH=0.1430D+00*CO2+...\n & + 1.7400D-01 * RXRAT( 237 ) ! AFG1+O3=0.1740D+00*CO2+...\n & + 1.7400D-01 * RXRAT( 240 ) ! AFG2+O3=0.1740D+00*CO2+...\n & + 1.9000D-01 * RXRAT( 243 ) ! AFG3+O3=0.1900D+00*CO2+...\n & + 1.1700D-01 * RXRAT( 244 ) ! MACR+O3=0.1170D+00*CO2+...\n & + 1.2400D-01 * RXRAT( 246 ) ! MVK+O3=0.1240D+00*CO2+...\n & + 1.4000D-01 * RXRAT( 250 ) ! IPRD+O3=0.1400D+00*CO2+...\n & + 3.1000D-01 * RXRAT( 260 ) ! ACROLEIN+O3=0.3100D+00*CO2+...\n & + 1.0200D-01 * RXRAT( 263 ) ! ACROLEIN=0.1020D+00*CO2+...\n & + 2.0000D-02 * RXRAT( 264 ) ! CCOOOH+OH=0.2000D-01*CO2+...\n & + RXRAT( 265 ) ! CCOOOH=CO2+MEO2+OH\n & + 1.1000D-01 * RXRAT( 266 ) ! RCOOOH+OH=0.1100D+00*CO2+...\n & + RXRAT( 267 ) ! RCOOOH=CO2+xCCHO+yROOH+xHO2+OH\n & + RXRAT( 268 ) ! HCOCO3+NO=CO2+CO+HO2+NO2\n & + RXRAT( 269 ) ! HCOCO3+NO2=CO2+CO+HO2+NO3\n & + 4.4000D-01 * RXRAT( 270 ) ! HCOCO3+HO2=0.4400D+00*CO2+...\n & + 1.2000D-01 * RXRAT( 525 ) ! ETHENE+O3=0.1200D+00*CO2+...\n & + 2.1500D-01 * RXRAT( 529 ) ! PROPENE+O3=0.2150D+00*CO2+...\n & + 1.8500D-01 * RXRAT( 533 ) ! BUTADIENE13+O3=0.1850D+...\n & + 1.2200D-01 * RXRAT( 536 ) ! ISOPRENE+O3=0.1220D+00*CO2+...\n & + 1.7000D-02 * RXRAT( 539 ) ! APIN+O3=0.1700D-01*CO2+...\n & + 5.0000D-01 * RXRAT( 543 ) ! ACETYLENE+O3=0.5000D+...\n & + 8.8000D-02 * RXRAT( 558 ) ! OLE1+O3=0.8800D-01*CO2+...\n & + 1.6100D-01 * RXRAT( 562 ) ! OLE2+O3=0.1610D+00*CO2+...\n & + 6.3000D-02 * RXRAT( 569 ) ! TERP+O3=0.6300D-01*CO2+...\n & + RXRAT( 577 ) ! TERPNRO2+MECO3=CO2+0.4220D+...\n & + RXRAT( 578 ) ! TERPNRO2+RCO3=CO2+0.4220D+...\n & + RXRAT( 579 ) ! TERPNRO2+BZCO3=CO2+0.4220D+...\n & + RXRAT( 580 ) ! TERPNRO2+MACO3=CO2+0.1043D+...\n & + RXRAT( 581 ) ! TERPNRO2+IMACO3=CO2+...\n & + 6.3000D-02 * RXRAT( 584 ) ! SESQ+O3=0.6300D-01*CO2+...\n & + RXRAT( 715 ) ! ISOPO2+MECO3=CO2+MEO2+...\n & + RXRAT( 726 ) ! NISOPO2+MECO3=CO2+MEO2+...\n & + RXRAT( 732 ) ! HC5OO+MECO3=CO2+MEO2+...\n & + 8.0000D-02 * RXRAT( 733 ) ! HC5+O3=0.8000D-01*CO2+...\n & + RXRAT( 739 ) ! ISOPNOOD+MECO3=CO2+MEO2+...\n & + 1.7000D-02 * RXRAT( 740 ) ! ISOPND+O3=0.1700D-01*CO2+...\n & + RXRAT( 746 ) ! ISOPNOOB+MECO3=CO2+MEO2+...\n & + 7.0000D-02 * RXRAT( 747 ) ! ISOPNB+O3=0.7000D-01*CO2+...\n & + RXRAT( 749 ) ! NIT1NO3OOA+NO3=CO2+PROPNN+...\n & + RXRAT( 750 ) ! NIT1NO3OOA+NO=CO2+PROPNN+...\n & + RXRAT( 753 ) ! NIT1NO3OOA+RO2C=CO2+CO+...\n & + RXRAT( 754 ) ! NIT1NO3OOA+MEO2=CO2+CO+...\n & + 2.0000D+00 * RXRAT( 755 ) ! NIT1NO3OOA+MECO3=0.2000D+...\n & + RXRAT( 761 ) ! NIT1NO3OOB+MECO3=CO2+MEO2+...\n & + 1.5000D-01 * RXRAT( 762 ) ! NIT1+O3=0.1500D+00*CO2+...\n & + RXRAT( 768 ) ! NIT1OHOO+MECO3=CO2+MEO2+...\n & + RXRAT( 773 ) ! DIBOO+MECO3=CO2+0.5200D+...\n & + RXRAT( 779 ) ! MVKOO+MECO3=CO2+MEO2+...\n & + RXRAT( 784 ) ! MACROO+MECO3=CO2+MEO2+HO2+...\n & + RXRAT( 785 ) ! MACO3+NO=CO2+CO+NO2+HCHO+MEO2\n & + 4.4000D-01 * RXRAT( 786 ) ! MACO3+HO2=0.4400D+00*CO2+...\n & + RXRAT( 787 ) ! MACO3+NO3=CO2+CO+NO2+HCHO+MEO2\n & + RXRAT( 788 ) ! MACO3+MEO2=CO2+HO2+CO+...\n & + RXRAT( 789 ) ! MACO3+RO2C=CO2+CO+HCHO+MEO2\n & + RXRAT( 790 ) ! MACO3+RO2XC=CO2+CO+HCHO+MEO2\n & + 2.0000D+00 * RXRAT( 791 ) ! MACO3+MECO3=0.2000D+01*CO2+...\n & + 2.0000D+00 * RXRAT( 792 ) ! MACO3+RCO3=0.2000D+01*CO2+...\n & + 2.0000D+00 * RXRAT( 793 ) ! MACO3+BZCO3=0.2000D+01*CO2+...\n & + 2.0000D+00 * RXRAT( 794 ) ! MACO3+MACO3=0.2000D+01*CO2+...\n & + 3.5000D-01 * RXRAT( 796 ) ! HOCCHO+OH=0.3500D+00*CO2+...\n & + 2.0000D-01 * RXRAT( 797 ) ! HACET+OH=0.2000D+00*CO2+...\n & + RXRAT( 799 ) ! ETHLN+OH=CO2+HCHO+NO2\n & + 9.3000D-01 * RXRAT( 807 ) ! MACRN+OH=0.9300D+00*CO2+...\n & + RXRAT( 810 ) ! PYRUACD=CO2+CCHO\n & + 2.0000D-01 * RXRAT( 814 ) ! IEPOXOO+HO2=0.2000D+00*CO2+...\n & + 2.0000D-01 * RXRAT( 815 ) ! IEPOXOO+NO=0.2000D+00*CO2+...\n & + 1.0000D-01 * RXRAT( 816 ) ! IEPOXOO+MEO2=0.1000D+...\n & + 1.0000D-01 * RXRAT( 817 ) ! IEPOXOO+RO2C=0.1000D+...\n & + 1.2000D+00 * RXRAT( 818 ) ! IEPOXOO+MECO3=0.1200D+...\n & + RXRAT( 827 ) ! IMACO3+NO=CO2+CO+NO2+HCHO+MEO2\n & + RXRAT( 829 ) ! IMACO3+NO3=CO2+CO+NO2+HCHO+...\n & + RXRAT( 830 ) ! IMACO3+MEO2=CO2+HO2+CO+...\n & + RXRAT( 831 ) ! IMACO3+RO2C=CO2+CO+HCHO+MEO2\n & + RXRAT( 832 ) ! IMACO3+RO2XC=CO2+CO+HCHO+MEO2\n & + 2.0000D+00 * RXRAT( 833 ) ! IMACO3+MECO3=0.2000D+...\n & + 2.0000D+00 * RXRAT( 834 ) ! IMACO3+RCO3=0.2000D+01*CO2+...\n & + 2.0000D+00 * RXRAT( 835 ) ! IMACO3+BZCO3=0.2000D+...\n & + 2.0000D+00 * RXRAT( 836 ) ! IMACO3+MACO3=0.2000D+...\n & + 2.0000D+00 * RXRAT( 837 ) ! IMACO3+IMACO3=0.2000D+...\n & + 4.0000D-01 * RXRAT( 841 ) ! IMAPAN=0.4000D+00*CO2+...\n LOSS( CO2 ) = 0.0D0\n\n PROD( HO2H ) = RXRAT( 37 ) ! HO2+HO2=HO2H\n & + RXRAT( 38 ) ! HO2+HO2=HO2H\n LOSS( HO2H ) = RXRAT( 41 ) ! HO2H=0.2000D+01*OH\n & + RXRAT( 42 ) ! HO2H+OH=HO2\n\n PROD( SO2 ) = 0.0D0\n LOSS( SO2 ) = RXRAT( 44 ) ! SO2+OH=HO2+SULF+SULRXN\n\n PROD( SULF ) = RXRAT( 44 ) ! OH+SO2=SULF+HO2+SULRXN\n LOSS( SULF ) = 0.0D0\n\n PROD( SULRXN ) = RXRAT( 44 ) ! OH+SO2=SULRXN+SULF+HO2\n LOSS( SULRXN ) = 0.0D0\n\n PROD( MEO2 ) = 4.0000D-01 * RXRAT( 65 ) ! PAN=0.4000D+00*MEO2+...\n & + RXRAT( 66 ) ! MECO3+NO=MEO2+CO2+NO2\n & + 4.4000D-01 * RXRAT( 67 ) ! MECO3+HO2=0.4400D+00*MEO2+...\n & + RXRAT( 68 ) ! MECO3+NO3=MEO2+CO2+NO2\n & + RXRAT( 70 ) ! MECO3+RO2C=MEO2+CO2\n & + RXRAT( 71 ) ! MECO3+RO2XC=MEO2+CO2\n & + 2.0000D+00 * RXRAT( 72 ) ! MECO3+MECO3=0.2000D+...\n & + RXRAT( 82 ) ! RCO3+MECO3=MEO2+0.2000D+...\n & + RXRAT( 93 ) ! BZCO3+MECO3=MEO2+0.2000D+...\n & + RXRAT( 100 ) ! TBUO=MEO2+ACETONE\n & + RXRAT( 134 ) ! xMEO2+NO=MEO2+NO\n & + RXRAT( 136 ) ! xMEO2+NO3=MEO2+NO3\n & + 5.0000D-01 * RXRAT( 137 ) ! xMEO2+MEO2=0.1500D+01*MEO2\n & + 5.0000D-01 * RXRAT( 138 ) ! xMEO2+RO2C=0.5000D+00*MEO2+...\n & + 5.0000D-01 * RXRAT( 139 ) ! xMEO2+RO2XC=0.5000D+...\n & + RXRAT( 140 ) ! xMEO2+MECO3=MEO2+MECO3\n & + RXRAT( 141 ) ! xMEO2+RCO3=MEO2+RCO3\n & + RXRAT( 142 ) ! xMEO2+BZCO3=MEO2+BZCO3\n & + RXRAT( 143 ) ! xMEO2+MACO3=MEO2+MACO3\n & + RXRAT( 199 ) ! CCHO=MEO2+HO2+CO\n & + 1.3800D+00 * RXRAT( 205 ) ! ACETONE=0.1380D+01*MEO2+...\n & + 5.0900D-01 * RXRAT( 210 ) ! CCOOH+OH=0.5090D+00*MEO2+...\n & + 7.0000D-01 * RXRAT( 212 ) ! COOH+OH=0.7000D+00*MEO2+...\n & + 1.7300D-01 * RXRAT( 238 ) ! AFG1=0.1730D+00*MEO2+...\n & + 4.0000D-01 * RXRAT( 248 ) ! MVK=0.4000D+00*MEO2+...\n & + 2.3400D-01 * RXRAT( 263 ) ! ACROLEIN=0.2340D+00*MEO2+...\n & + RXRAT( 265 ) ! CCOOOH=MEO2+CO2+OH\n & + RXRAT( 523 ) ! OH=MEO2\n & + 5.1000D-01 * RXRAT( 527 ) ! ETHENE+O3P=0.5100D+00*MEO2+...\n & + 3.5500D-01 * RXRAT( 529 ) ! PROPENE+O3=0.3550D+00*MEO2+...\n & + 2.5000D-01 * RXRAT( 537 ) ! ISOPRENE+O3P=0.2500D+...\n & + 3.0700D-01 * RXRAT( 562 ) ! OLE2+O3=0.3070D+00*MEO2+...\n & + RXRAT( 577 ) ! TERPNRO2+MECO3=MEO2+...\n & + RXRAT( 661 ) ! CL=MEO2+HCL\n & + RXRAT( 715 ) ! ISOPO2+MECO3=MEO2+CO2+...\n & + RXRAT( 726 ) ! NISOPO2+MECO3=MEO2+CO2+...\n & + RXRAT( 732 ) ! HC5OO+MECO3=MEO2+CO2+...\n & + RXRAT( 739 ) ! ISOPNOOD+MECO3=MEO2+CO2+...\n & + RXRAT( 746 ) ! ISOPNOOB+MECO3=MEO2+CO2+...\n & + RXRAT( 755 ) ! NIT1NO3OOA+MECO3=MEO2+...\n & + RXRAT( 761 ) ! NIT1NO3OOB+MECO3=MEO2+CO2+...\n & + RXRAT( 768 ) ! NIT1OHOO+MECO3=MEO2+CO2+...\n & + RXRAT( 773 ) ! DIBOO+MECO3=MEO2+0.5200D+...\n & + RXRAT( 779 ) ! MVKOO+MECO3=MEO2+CO2+...\n & + RXRAT( 784 ) ! MACROO+MECO3=MEO2+CO2+HO2+...\n & + RXRAT( 785 ) ! MACO3+NO=MEO2+CO+CO2+HCHO+NO2\n & + RXRAT( 787 ) ! MACO3+NO3=MEO2+CO+CO2+HCHO+NO2\n & + RXRAT( 789 ) ! MACO3+RO2C=MEO2+CO2+HCHO+CO\n & + RXRAT( 790 ) ! MACO3+RO2XC=MEO2+CO2+HCHO+CO\n & + 2.0000D+00 * RXRAT( 791 ) ! MACO3+MECO3=0.2000D+...\n & + RXRAT( 792 ) ! MACO3+RCO3=MEO2+0.2000D+...\n & + RXRAT( 793 ) ! MACO3+BZCO3=MEO2+0.2000D+...\n & + 2.0000D+00 * RXRAT( 794 ) ! MACO3+MACO3=0.2000D+...\n & + 1.2500D-01 * RXRAT( 797 ) ! HACET+OH=0.1250D+00*MEO2+...\n & + RXRAT( 818 ) ! IEPOXOO+MECO3=MEO2+0.2750D+...\n & + RXRAT( 827 ) ! IMACO3+NO=MEO2+CO+CO2+HCHO+NO2\n & + RXRAT( 829 ) ! IMACO3+NO3=MEO2+CO+CO2+...\n & + RXRAT( 831 ) ! IMACO3+RO2C=MEO2+CO2+HCHO+CO\n & + RXRAT( 832 ) ! IMACO3+RO2XC=MEO2+CO2+HCHO+CO\n & + 2.0000D+00 * RXRAT( 833 ) ! IMACO3+MECO3=0.2000D+...\n & + RXRAT( 834 ) ! IMACO3+RCO3=MEO2+0.2000D+...\n & + RXRAT( 835 ) ! IMACO3+BZCO3=MEO2+0.2000D+...\n & + 2.0000D+00 * RXRAT( 836 ) ! IMACO3+MACO3=0.2000D+...\n & + 2.0000D+00 * RXRAT( 837 ) ! IMACO3+IMACO3=0.2000D+...\n & + RXRAT( 847 ) ! xMEO2+IMACO3=MEO2+IMACO3\n LOSS( MEO2 ) = RXRAT( 46 ) ! MEO2+NO=NO2+HCHO+HO2\n & + RXRAT( 47 ) ! MEO2+HO2=COOH\n & + RXRAT( 48 ) ! MEO2+HO2=HCHO\n & + RXRAT( 49 ) ! MEO2+NO3=HCHO+HO2+NO2\n & + 2.0000D+00 * RXRAT( 50 ) ! MEO2+MEO2=MEOH+HCHO\n & + 2.0000D+00 * RXRAT( 51 ) ! MEO2+MEO2=0.2000D+01*HCHO+...\n & + RXRAT( 55 ) ! MEO2+RO2C=0.5000D+00*HO2+...\n & + RXRAT( 60 ) ! MEO2+RO2XC=0.5000D+00*HO2+...\n & + 1.0000D-01 * RXRAT( 69 ) ! MEO2+MECO3=0.9000D+00*MEO2+...\n & + RXRAT( 79 ) ! MEO2+RCO3=HCHO+HO2+RO2C+...\n & + RXRAT( 90 ) ! MEO2+BZCO3=HCHO+HO2+RO2C+...\n & + RXRAT( 574 ) ! MEO2+TERPNRO2=0.2660D+...\n & + RXRAT( 712 ) ! MEO2+ISOPO2=0.9500D+00*HO2+...\n & + RXRAT( 723 ) ! MEO2+NISOPO2=0.6000D+...\n & + RXRAT( 730 ) ! MEO2+HC5OO=0.1170D+...\n & + RXRAT( 737 ) ! MEO2+ISOPNOOD=0.1700D+...\n & + RXRAT( 744 ) ! MEO2+ISOPNOOB=0.3000D+...\n & + RXRAT( 754 ) ! MEO2+NIT1NO3OOA=PROPNN+CO+...\n & + RXRAT( 760 ) ! MEO2+NIT1NO3OOB=0.7000D+...\n & + RXRAT( 767 ) ! MEO2+NIT1OHOO=0.6890D+...\n & + RXRAT( 771 ) ! MEO2+DIBOO=HO2+0.2600D+...\n & + RXRAT( 777 ) ! MEO2+MVKOO=0.3500D+...\n & + RXRAT( 782 ) ! MEO2+MACROO=HO2+0.4240D+...\n & + RXRAT( 816 ) ! MEO2+IEPOXOO=0.3630D+...\n\n PROD( HCHO ) = RXRAT( 46 ) ! MEO2+NO=HCHO+NO2+HO2\n & + RXRAT( 48 ) ! MEO2+HO2=HCHO\n & + RXRAT( 49 ) ! MEO2+NO3=HCHO+HO2+NO2\n & + RXRAT( 50 ) ! MEO2+MEO2=HCHO+MEOH\n & + 2.0000D+00 * RXRAT( 51 ) ! MEO2+MEO2=0.2000D+01*HCHO+...\n & + 7.5000D-01 * RXRAT( 55 ) ! RO2C+MEO2=0.7500D+00*HCHO+...\n & + 7.5000D-01 * RXRAT( 60 ) ! RO2XC+MEO2=0.7500D+00*HCHO+...\n & + RXRAT( 69 ) ! MECO3+MEO2=HCHO+0.1000D+...\n & + RXRAT( 79 ) ! RCO3+MEO2=HCHO+HO2+RO2C+...\n & + RXRAT( 90 ) ! BZCO3+MEO2=HCHO+HO2+RO2C+...\n & + 4.0000D-01 * RXRAT( 98 ) ! MAPAN=0.4000D+00*HCHO+...\n & + RXRAT( 208 ) ! MEOH+OH=HCHO+HO2\n & + 3.0000D-01 * RXRAT( 212 ) ! COOH+OH=0.3000D+00*HCHO+...\n & + RXRAT( 213 ) ! COOH=HCHO+HO2+OH\n & + RXRAT( 221 ) ! GLY=HCHO+CO\n & + 1.0000D-01 * RXRAT( 244 ) ! MACR+O3=0.1000D+00*HCHO+...\n & + 5.0000D-02 * RXRAT( 246 ) ! MVK+O3=0.5000D-01*HCHO+...\n & + 1.2400D-01 * RXRAT( 250 ) ! IPRD+O3=0.1240D+00*HCHO+...\n & + 3.0000D-01 * RXRAT( 252 ) ! IPRD=0.3000D+00*HCHO+...\n & + 2.0000D-03 * RXRAT( 253 ) ! PRD2+OH=0.2000D-02*HCHO+...\n & + 7.4000D-02 * RXRAT( 256 ) ! RNO3=0.7400D-01*HCHO+...\n & + RXRAT( 257 ) ! HOCCHO=HCHO+0.2000D+01*HO2+CO\n & + 5.0000D-01 * RXRAT( 260 ) ! ACROLEIN+O3=0.5000D+...\n & + 3.4000D-01 * RXRAT( 263 ) ! ACROLEIN=0.3400D+00*HCHO+...\n & + RXRAT( 271 ) ! xHCHO+NO=HCHO+NO\n & + RXRAT( 273 ) ! xHCHO+NO3=HCHO+NO3\n & + 5.0000D-01 * RXRAT( 274 ) ! xHCHO+MEO2=0.5000D+00*HCHO+...\n & + 5.0000D-01 * RXRAT( 275 ) ! xHCHO+RO2C=0.5000D+00*HCHO+...\n & + 5.0000D-01 * RXRAT( 276 ) ! xHCHO+RO2XC=0.5000D+...\n & + RXRAT( 277 ) ! xHCHO+MECO3=HCHO+MECO3\n & + RXRAT( 278 ) ! xHCHO+RCO3=HCHO+RCO3\n & + RXRAT( 279 ) ! xHCHO+BZCO3=HCHO+BZCO3\n & + RXRAT( 280 ) ! xHCHO+MACO3=HCHO+MACO3\n & + RXRAT( 525 ) ! ETHENE+O3=HCHO+0.1600D+...\n & + 5.0000D-01 * RXRAT( 529 ) ! PROPENE+O3=0.5000D+00*HCHO+...\n & + 5.0000D-01 * RXRAT( 533 ) ! BUTADIENE13+O3=0.5000D+...\n & + 4.0000D-01 * RXRAT( 536 ) ! ISOPRENE+O3=0.4000D+...\n & + 5.0000D-01 * RXRAT( 558 ) ! OLE1+O3=0.5000D+00*HCHO+...\n & + 1.3100D-01 * RXRAT( 562 ) ! OLE2+O3=0.1310D+00*HCHO+...\n & + 1.2700D-01 * RXRAT( 569 ) ! TERP+O3=0.1270D+00*HCHO+...\n & + 2.3000D-02 * RXRAT( 571 ) ! TERPNRO2+NO=0.2300D-...\n & + 4.3000D-02 * RXRAT( 573 ) ! TERPNRO2+NO3=0.4300D-...\n & + 7.7200D-01 * RXRAT( 574 ) ! TERPNRO2+MEO2=0.7720D+...\n & + 2.2000D-02 * RXRAT( 575 ) ! TERPNRO2+RO2C=0.2200D-...\n & + 2.2000D-02 * RXRAT( 576 ) ! TERPNRO2+RO2XC=0.2200D-...\n & + 4.3000D-02 * RXRAT( 577 ) ! TERPNRO2+MECO3=0.4300D-...\n & + 4.3000D-02 * RXRAT( 578 ) ! TERPNRO2+RCO3=0.4300D-...\n & + 4.3000D-02 * RXRAT( 579 ) ! TERPNRO2+BZCO3=0.4300D-...\n & + 1.0430D+00 * RXRAT( 580 ) ! TERPNRO2+MACO3=0.1043D+...\n & + 1.0430D+00 * RXRAT( 581 ) ! TERPNRO2+IMACO3=0.1043D+...\n & + 1.2700D-01 * RXRAT( 584 ) ! SESQ+O3=0.1270D+00*HCHO+...\n & + RXRAT( 611 ) ! MEOH+CL=HCHO+HCL+HO2\n & + 6.6000D-01 * RXRAT( 710 ) ! ISOPO2+NO=0.6600D+00*HCHO+...\n & + 1.2000D-01 * RXRAT( 711 ) ! ISOPO2+HO2=0.1200D+00*HCHO+...\n & + 1.1200D+00 * RXRAT( 712 ) ! ISOPO2+MEO2=0.1120D+...\n & + 3.7000D-01 * RXRAT( 713 ) ! ISOPO2+RO2C=0.3700D+...\n & + 7.5000D-01 * RXRAT( 714 ) ! ISOPO2+ISOPO2=0.7500D+...\n & + 7.5000D-01 * RXRAT( 715 ) ! ISOPO2+MECO3=0.7500D+...\n & + RXRAT( 717 ) ! HPALD=HCHO+HO2+0.5000D+...\n & + 7.0000D-02 * RXRAT( 720 ) ! NISOPO2+NO3=0.7000D-...\n & + 7.0000D-02 * RXRAT( 721 ) ! NISOPO2+NO=0.7000D-01*HCHO+...\n & + 7.8500D-01 * RXRAT( 723 ) ! NISOPO2+MEO2=0.7850D+...\n & + 3.5000D-02 * RXRAT( 724 ) ! NISOPO2+RO2C=0.3500D-...\n & + 7.0000D-02 * RXRAT( 725 ) ! NISOPO2+NISOPO2=0.7000D-...\n & + 7.0000D-02 * RXRAT( 726 ) ! NISOPO2+MECO3=0.7000D-...\n & + 7.5000D-01 * RXRAT( 730 ) ! HC5OO+MEO2=0.7500D+00*HCHO+...\n & + 2.0000D-02 * RXRAT( 733 ) ! HC5+O3=0.2000D-01*HCHO+...\n & + 7.2000D-01 * RXRAT( 735 ) ! ISOPNOOD+NO=0.7200D+...\n & + 1.1100D+00 * RXRAT( 737 ) ! ISOPNOOD+MEO2=0.1110D+...\n & + 3.6000D-01 * RXRAT( 738 ) ! ISOPNOOD+RO2C=0.3600D+...\n & + 7.2000D-01 * RXRAT( 739 ) ! ISOPNOOD+MECO3=0.7200D+...\n & + 3.8000D-02 * RXRAT( 740 ) ! ISOPND+O3=0.3800D-01*HCHO+...\n & + 4.0000D-01 * RXRAT( 742 ) ! ISOPNOOB+NO=0.4000D+...\n & + 9.5000D-01 * RXRAT( 744 ) ! ISOPNOOB+MEO2=0.9500D+...\n & + 2.0000D-01 * RXRAT( 745 ) ! ISOPNOOB+RO2C=0.2000D+...\n & + 4.0000D-01 * RXRAT( 746 ) ! ISOPNOOB+MECO3=0.4000D+...\n & + 5.6000D-01 * RXRAT( 747 ) ! ISOPNB+O3=0.5600D+00*HCHO+...\n & + RXRAT( 754 ) ! NIT1NO3OOA+MEO2=HCHO+CO+...\n & + 7.5000D-01 * RXRAT( 760 ) ! NIT1NO3OOB+MEO2=0.7500D+...\n & + 7.5000D-01 * RXRAT( 767 ) ! NIT1OHOO+MEO2=0.7500D+...\n & + 7.5000D-01 * RXRAT( 771 ) ! DIBOO+MEO2=0.7500D+00*HCHO+...\n & + 2.6500D-01 * RXRAT( 775 ) ! MVKOO+NO=0.2650D+00*HCHO+...\n & + 9.0000D-01 * RXRAT( 777 ) ! MVKOO+MEO2=0.9000D+00*HCHO+...\n & + 1.5000D-01 * RXRAT( 778 ) ! MVKOO+RO2C=0.1500D+00*HCHO+...\n & + 3.0000D-01 * RXRAT( 779 ) ! MVKOO+MECO3=0.3000D+...\n & + 1.3000D-01 * RXRAT( 780 ) ! MACROO+NO=0.1300D+00*HCHO+...\n & + 8.2600D-01 * RXRAT( 782 ) ! MACROO+MEO2=0.8260D+...\n & + 7.6000D-02 * RXRAT( 783 ) ! MACROO+RO2C=0.7600D-...\n & + 1.5000D-01 * RXRAT( 784 ) ! MACROO+MECO3=0.1500D+...\n & + RXRAT( 785 ) ! MACO3+NO=HCHO+CO+CO2+NO2+MEO2\n & + 4.4000D-01 * RXRAT( 786 ) ! MACO3+HO2=0.4400D+00*HCHO+...\n & + RXRAT( 787 ) ! MACO3+NO3=HCHO+CO+CO2+NO2+MEO2\n & + 2.0000D+00 * RXRAT( 788 ) ! MACO3+MEO2=0.2000D+01*HCHO+...\n & + RXRAT( 789 ) ! MACO3+RO2C=HCHO+CO2+CO+MEO2\n & + RXRAT( 790 ) ! MACO3+RO2XC=HCHO+CO2+CO+MEO2\n & + RXRAT( 791 ) ! MACO3+MECO3=HCHO+0.2000D+...\n & + RXRAT( 792 ) ! MACO3+RCO3=HCHO+0.2000D+...\n & + RXRAT( 793 ) ! MACO3+BZCO3=HCHO+0.2000D+...\n & + 2.0000D+00 * RXRAT( 794 ) ! MACO3+MACO3=0.2000D+...\n & + 7.1000D-01 * RXRAT( 796 ) ! HOCCHO+OH=0.7100D+00*HCHO+...\n & + RXRAT( 798 ) ! HACET=HCHO+MECO3+HO2\n & + RXRAT( 799 ) ! ETHLN+OH=HCHO+CO2+NO2\n & + RXRAT( 800 ) ! ETHLN=HCHO+NO2+HO2+CO\n & + RXRAT( 803 ) ! PROPNN=HCHO+MECO3+NO2\n & + RXRAT( 804 ) ! ISOPNN=HCHO+MECO3+0.2000D+...\n & + 3.5000D-01 * RXRAT( 805 ) ! MVKN+OH=0.3500D+00*HCHO+...\n & + 8.0000D-02 * RXRAT( 807 ) ! MACRN+OH=0.8000D-01*HCHO+...\n & + 3.7500D-01 * RXRAT( 814 ) ! IEPOXOO+HO2=0.3750D+...\n & + 3.7500D-01 * RXRAT( 815 ) ! IEPOXOO+NO=0.3750D+00*HCHO+...\n & + 9.3800D-01 * RXRAT( 816 ) ! IEPOXOO+MEO2=0.9380D+...\n & + 1.8800D-01 * RXRAT( 817 ) ! IEPOXOO+RO2C=0.1880D+...\n & + 3.7500D-01 * RXRAT( 818 ) ! IEPOXOO+MECO3=0.3750D+...\n & + 7.5000D-01 * RXRAT( 819 ) ! ISOPOOH=0.7500D+00*HCHO+...\n & + 3.4000D-01 * RXRAT( 825 ) ! MACR=0.3400D+00*HCHO+...\n & + RXRAT( 827 ) ! IMACO3+NO=HCHO+CO+CO2+NO2+MEO2\n & + RXRAT( 829 ) ! IMACO3+NO3=HCHO+CO+CO2+NO2+...\n & + 2.0000D+00 * RXRAT( 830 ) ! IMACO3+MEO2=0.2000D+...\n & + RXRAT( 831 ) ! IMACO3+RO2C=HCHO+CO2+CO+MEO2\n & + RXRAT( 832 ) ! IMACO3+RO2XC=HCHO+CO2+CO+MEO2\n & + RXRAT( 833 ) ! IMACO3+MECO3=HCHO+0.2000D+...\n & + RXRAT( 834 ) ! IMACO3+RCO3=HCHO+0.2000D+...\n & + RXRAT( 835 ) ! IMACO3+BZCO3=HCHO+0.2000D+...\n & + 2.0000D+00 * RXRAT( 836 ) ! IMACO3+MACO3=0.2000D+...\n & + 2.0000D+00 * RXRAT( 837 ) ! IMACO3+IMACO3=0.2000D+...\n & + 4.0000D-01 * RXRAT( 841 ) ! IMAPAN=0.4000D+00*HCHO+...\n & + RXRAT( 873 ) ! xHCHO+IMACO3=HCHO+IMACO3\n & + 1.9000D-01 * RXRAT( 877 ) ! IMAPAN+OH=0.1900D+00*HCHO+...\n & + 7.4000D-02 * RXRAT( 883 ) ! MTNO3=0.7400D-01*HCHO+...\n LOSS( HCHO ) = RXRAT( 194 ) ! HCHO=0.2000D+01*HO2+CO\n & + RXRAT( 195 ) ! HCHO=CO\n & + RXRAT( 196 ) ! HCHO+OH=HO2+CO\n & + RXRAT( 197 ) ! HCHO+NO3=HNO3+HO2+CO\n & + RXRAT( 609 ) ! HCHO+CL=HCL+HO2+CO\n\n PROD( COOH ) = RXRAT( 47 ) ! MEO2+HO2=COOH\n LOSS( COOH ) = RXRAT( 212 ) ! COOH+OH=0.3000D+00*HCHO+...\n & + RXRAT( 213 ) ! COOH=HCHO+HO2+OH\n\n PROD( MEOH ) = RXRAT( 50 ) ! MEO2+MEO2=MEOH+HCHO\n & + 2.5000D-01 * RXRAT( 55 ) ! RO2C+MEO2=0.2500D+00*MEOH+...\n & + 2.5000D-01 * RXRAT( 60 ) ! RO2XC+MEO2=0.2500D+00*MEOH+...\n & + 2.5000D-01 * RXRAT( 574 ) ! TERPNRO2+MEO2=0.2500D+...\n & + 2.5000D-01 * RXRAT( 712 ) ! ISOPO2+MEO2=0.2500D+...\n & + 2.5000D-01 * RXRAT( 723 ) ! NISOPO2+MEO2=0.2500D+...\n & + 2.5000D-01 * RXRAT( 730 ) ! HC5OO+MEO2=0.2500D+00*MEOH+...\n & + 2.5000D-01 * RXRAT( 737 ) ! ISOPNOOD+MEO2=0.2500D+...\n & + 2.5000D-01 * RXRAT( 744 ) ! ISOPNOOB+MEO2=0.2500D+...\n & + 2.5000D-01 * RXRAT( 760 ) ! NIT1NO3OOB+MEO2=0.2500D+...\n & + 2.5000D-01 * RXRAT( 767 ) ! NIT1OHOO+MEO2=0.2500D+...\n & + 2.5000D-01 * RXRAT( 771 ) ! DIBOO+MEO2=0.2500D+00*MEOH+...\n & + 2.5000D-01 * RXRAT( 777 ) ! MVKOO+MEO2=0.2500D+00*MEOH+...\n & + 2.5000D-01 * RXRAT( 782 ) ! MACROO+MEO2=0.2500D+...\n & + 2.5000D-01 * RXRAT( 816 ) ! IEPOXOO+MEO2=0.2500D+...\n LOSS( MEOH ) = RXRAT( 208 ) ! MEOH+OH=HCHO+HO2\n & + RXRAT( 611 ) ! MEOH+CL=HCL+HCHO+HO2\n\n PROD( RO2C ) = 4.0000D-01 * RXRAT( 75 ) ! PAN2=0.4000D+00*RO2C+...\n & + RXRAT( 76 ) ! RCO3+NO=RO2C+NO2+xHO2+...\n & + 4.4000D-01 * RXRAT( 77 ) ! RCO3+HO2=0.4400D+00*RO2C+...\n & + RXRAT( 78 ) ! RCO3+NO3=RO2C+NO2+xHO2+...\n & + RXRAT( 79 ) ! RCO3+MEO2=RO2C+HO2+HCHO+...\n & + RXRAT( 81 ) ! RCO3+RO2XC=RO2C+xHO2+xCCHO+...\n & + RXRAT( 82 ) ! RCO3+MECO3=RO2C+MEO2+...\n & + 2.0000D+00 * RXRAT( 83 ) ! RCO3+RCO3=0.2000D+01*RO2C+...\n & + 4.0000D-01 * RXRAT( 86 ) ! PBZN=0.4000D+00*RO2C+...\n & + RXRAT( 87 ) ! BZCO3+NO=RO2C+CO2+BZO+NO2\n & + 4.4000D-01 * RXRAT( 88 ) ! BZCO3+HO2=0.4400D+00*RO2C+...\n & + RXRAT( 89 ) ! BZCO3+NO3=RO2C+CO2+BZO+NO2\n & + RXRAT( 90 ) ! BZCO3+MEO2=RO2C+HO2+HCHO+...\n & + RXRAT( 92 ) ! BZCO3+RO2XC=RO2C+BZO+CO2\n & + RXRAT( 93 ) ! BZCO3+MECO3=RO2C+MEO2+BZO+...\n & + 2.0000D+00 * RXRAT( 94 ) ! BZCO3+RCO3=0.2000D+01*RO2C+...\n & + 2.0000D+00 * RXRAT( 95 ) ! BZCO3+BZCO3=0.2000D+...\n & + RXRAT( 103 ) ! BZO=RO2C+CRES+xHO2\n & + 3.5000D-02 * RXRAT( 201 ) ! RCHO+OH=0.3500D-01*RO2C+...\n & + RXRAT( 202 ) ! RCHO=RO2C+xHO2+yROOH+xCCHO+...\n & + RXRAT( 204 ) ! ACETONE+OH=RO2C+xMECO3+...\n & + 9.6700D-01 * RXRAT( 206 ) ! MEK+OH=0.9670D+00*RO2C+...\n & + RXRAT( 207 ) ! MEK=RO2C+MECO3+xHO2+xCCHO+...\n & + 4.9100D-01 * RXRAT( 210 ) ! CCOOH+OH=0.4910D+00*RO2C+...\n & + RXRAT( 211 ) ! RCOOH+OH=RO2C+xHO2+0.1430D+...\n & + 2.5100D-01 * RXRAT( 214 ) ! ROOH+OH=0.2510D+00*RO2C+...\n & + 2.2200D-01 * RXRAT( 216 ) ! R6OOH+OH=0.2220D+00*RO2C+...\n & + 7.8200D-01 * RXRAT( 217 ) ! R6OOH=0.7820D+00*RO2C+...\n & + 5.8900D-01 * RXRAT( 218 ) ! RAOOH+OH=0.5890D+00*RO2C+...\n & + 8.0000D-01 * RXRAT( 228 ) ! CRES+OH=0.8000D+00*RO2C+...\n & + 7.2300D-01 * RXRAT( 236 ) ! AFG1+OH=0.7230D+00*RO2C+...\n & + 6.5200D-01 * RXRAT( 237 ) ! AFG1+O3=0.6520D+00*RO2C+...\n & + 7.2300D-01 * RXRAT( 239 ) ! AFG2+OH=0.7230D+00*RO2C+...\n & + 6.5200D-01 * RXRAT( 240 ) ! AFG2+O3=0.6520D+00*RO2C+...\n & + 7.3300D-01 * RXRAT( 242 ) ! AFG3+OH=0.7330D+00*RO2C+...\n & + 2.5800D-01 * RXRAT( 243 ) ! AFG3+O3=0.2580D+00*RO2C+...\n & + 1.0000D-01 * RXRAT( 244 ) ! MACR+O3=0.1000D+00*RO2C+...\n & + 5.0000D-02 * RXRAT( 246 ) ! MVK+O3=0.5000D-01*RO2C+...\n & + 6.7000D-01 * RXRAT( 249 ) ! IPRD+OH=0.6700D+00*RO2C+...\n & + 4.8000D-02 * RXRAT( 250 ) ! IPRD+O3=0.4800D-01*RO2C+...\n & + 7.9900D-01 * RXRAT( 251 ) ! IPRD+NO3=0.7990D+00*RO2C+...\n & + 4.7300D-01 * RXRAT( 253 ) ! PRD2+OH=0.4730D+00*RO2C+...\n & + 1.5900D+00 * RXRAT( 254 ) ! PRD2=0.1590D+01*RO2C+...\n & + 9.7600D-01 * RXRAT( 255 ) ! RNO3+OH=0.9760D+00*RO2C+...\n & + 7.2100D-01 * RXRAT( 256 ) ! RNO3=0.7210D+00*RO2C+...\n & + 2.5000D-01 * RXRAT( 259 ) ! ACROLEIN+OH=0.2500D+...\n & + 3.1000D-02 * RXRAT( 261 ) ! ACROLEIN+NO3=0.3100D-...\n & + 2.0000D-02 * RXRAT( 264 ) ! CCOOOH+OH=0.2000D-01*RO2C+...\n & + 1.9400D-01 * RXRAT( 266 ) ! RCOOOH+OH=0.1940D+00*RO2C+...\n & + RXRAT( 524 ) ! ETHENE+OH=RO2C+xHO2+...\n & + RXRAT( 526 ) ! ETHENE+NO3=RO2C+xHO2+xRCHO+...\n & + 2.9000D-01 * RXRAT( 527 ) ! ETHENE+O3P=0.2900D+00*RO2C+...\n & + 9.8400D-01 * RXRAT( 528 ) ! PROPENE+OH=0.9840D+00*RO2C+...\n & + 9.4900D-01 * RXRAT( 530 ) ! PROPENE+NO3=0.9490D+...\n & + 1.1890D+00 * RXRAT( 532 ) ! BUTADIENE13+OH=0.1189D+...\n & + 1.0550D+00 * RXRAT( 534 ) ! BUTADIENE13+NO3=0.1055D+...\n & + 2.3500D-01 * RXRAT( 535 ) ! BUTADIENE13+O3P=0.2350D+...\n & + 1.9200D-01 * RXRAT( 536 ) ! ISOPRENE+O3=0.1920D+...\n & + 2.4000D-01 * RXRAT( 537 ) ! ISOPRENE+O3P=0.2400D+...\n & + 1.0420D+00 * RXRAT( 538 ) ! APIN+OH=0.1042D+01*RO2C+...\n & + 1.5110D+00 * RXRAT( 539 ) ! APIN+O3=0.1511D+01*RO2C+...\n & + 1.0500D+00 * RXRAT( 540 ) ! APIN+NO3=0.1050D+01*RO2C+...\n & + 2.9000D-01 * RXRAT( 544 ) ! BENZENE+OH=0.2900D+00*RO2C+...\n & + 4.5400D-01 * RXRAT( 545 ) ! TOLUENE+OH=0.4540D+00*RO2C+...\n & + 5.2000D-01 * RXRAT( 546 ) ! MXYL+OH=0.5200D+00*RO2C+...\n & + 5.5400D-01 * RXRAT( 547 ) ! OXYL+OH=0.5540D+00*RO2C+...\n & + 4.8700D-01 * RXRAT( 548 ) ! PXYL+OH=0.4870D+00*RO2C+...\n & + 6.2700D-01 * RXRAT( 549 ) ! TMBENZ124+OH=0.6270D+...\n & + 5.0000D-02 * RXRAT( 550 ) ! ETOH+OH=0.5000D-01*RO2C+...\n & + RXRAT( 551 ) ! ALK1+OH=RO2C+xHO2+xCCHO+yROOH\n & + 9.6500D-01 * RXRAT( 552 ) ! ALK2+OH=0.9650D+00*RO2C+...\n & + 1.2530D+00 * RXRAT( 553 ) ! ALK3+OH=0.1253D+01*RO2C+...\n & + 1.7630D+00 * RXRAT( 554 ) ! ALK4+OH=0.1763D+01*RO2C+...\n & + 1.6050D+00 * RXRAT( 555 ) ! ALK5+OH=0.1605D+01*RO2C+...\n & + 1.2020D+00 * RXRAT( 557 ) ! OLE1+OH=0.1202D+01*RO2C+...\n & + 9.0000D-02 * RXRAT( 558 ) ! OLE1+O3=0.9000D-01*RO2C+...\n & + 1.4630D+00 * RXRAT( 559 ) ! OLE1+NO3=0.1463D+01*RO2C+...\n & + 9.5300D-01 * RXRAT( 561 ) ! OLE2+OH=0.9530D+00*RO2C+...\n & + 2.1200D-01 * RXRAT( 562 ) ! OLE2+O3=0.2120D+00*RO2C+...\n & + 1.1930D+00 * RXRAT( 563 ) ! OLE2+NO3=0.1193D+01*RO2C+...\n & + 5.6600D-01 * RXRAT( 565 ) ! ARO1+OH=0.5660D+00*RO2C+...\n & + 6.1700D-01 * RXRAT( 566 ) ! ARO2MN+OH=0.6170D+00*RO2C+...\n & + 6.1700D-01 * RXRAT( 567 ) ! NAPHTHAL+OH=0.6170D+...\n & + 1.2110D+00 * RXRAT( 568 ) ! TERP+OH=0.1211D+01*RO2C+...\n & + 4.9000D-01 * RXRAT( 569 ) ! TERP+O3=0.4900D+00*RO2C+...\n & + 4.2400D-01 * RXRAT( 571 ) ! TERPNRO2+NO=0.4240D+...\n & + 7.8600D-01 * RXRAT( 573 ) ! TERPNRO2+NO3=0.7860D+...\n & + 3.9300D-01 * RXRAT( 574 ) ! TERPNRO2+MEO2=0.3930D+...\n & + 3.9300D-01 * RXRAT( 576 ) ! TERPNRO2+RO2XC=0.3930D+...\n & + 7.8600D-01 * RXRAT( 577 ) ! TERPNRO2+MECO3=0.7860D+...\n & + 1.7860D+00 * RXRAT( 578 ) ! TERPNRO2+RCO3=0.1786D+...\n & + 1.7860D+00 * RXRAT( 579 ) ! TERPNRO2+BZCO3=0.1786D+...\n & + 7.8600D-01 * RXRAT( 580 ) ! TERPNRO2+MACO3=0.7860D+...\n & + 7.8600D-01 * RXRAT( 581 ) ! TERPNRO2+IMACO3=0.7860D+...\n & + 1.2110D+00 * RXRAT( 583 ) ! SESQ+OH=0.1211D+01*RO2C+...\n & + 4.9000D-01 * RXRAT( 584 ) ! SESQ+O3=0.4900D+00*RO2C+...\n & + 1.7860D+00 * RXRAT( 585 ) ! SESQ+NO3=0.1786D+01*RO2C+...\n & + 1.0000D-01 * RXRAT( 612 ) ! RCHO+CL=0.1000D+00*RO2C+...\n & + RXRAT( 613 ) ! ACETONE+CL=RO2C+HCL+xHCHO+...\n & + 9.7500D-01 * RXRAT( 614 ) ! MEK+CL=0.9750D+00*RO2C+HCL+...\n & + 1.2820D+00 * RXRAT( 615 ) ! RNO3+CL=0.1282D+01*RO2C+...\n & + 6.8000D-01 * RXRAT( 616 ) ! PRD2+CL=0.6800D+00*RO2C+...\n & + 5.8800D-01 * RXRAT( 621 ) ! ROOH+CL=0.5880D+00*RO2C+...\n & + 1.0780D+00 * RXRAT( 622 ) ! R6OOH+CL=0.1078D+01*RO2C+...\n & + 5.8900D-01 * RXRAT( 623 ) ! RAOOH+CL=0.5890D+00*RO2C+...\n & + 1.0320D+00 * RXRAT( 624 ) ! ACROLEIN+CL=0.1032D+...\n & + 1.2830D+00 * RXRAT( 625 ) ! MVK+CL=0.1283D+01*RO2C+...\n & + 7.3000D-01 * RXRAT( 626 ) ! IPRD+CL=0.7300D+00*RO2C+...\n & + RXRAT( 627 ) ! CLCCHO=RO2C+CO+HO2+xCL+...\n & + RXRAT( 630 ) ! CLACET=RO2C+MECO3+xCL+...\n & + 2.0000D+00 * RXRAT( 662 ) ! ETHENE+CL=0.2000D+01*RO2C+...\n & + 9.7100D-01 * RXRAT( 663 ) ! PROPENE+CL=0.9710D+00*RO2C+...\n & + 1.8840D+00 * RXRAT( 664 ) ! BUTADIENE13+CL=0.1884D+...\n & + 1.1680D+00 * RXRAT( 665 ) ! ISOPRENE+CL=0.1168D+...\n & + 2.2580D+00 * RXRAT( 666 ) ! APIN+CL=0.2258D+01*RO2C+...\n & + 8.9400D-01 * RXRAT( 668 ) ! TOLUENE+CL=0.8940D+00*RO2C+...\n & + 8.6400D-01 * RXRAT( 669 ) ! MXYL+CL=0.8640D+00*RO2C+...\n & + 8.6400D-01 * RXRAT( 670 ) ! OXYL+CL=0.8640D+00*RO2C+...\n & + 8.6400D-01 * RXRAT( 671 ) ! PXYL+CL=0.8640D+00*RO2C+...\n & + 8.3800D-01 * RXRAT( 672 ) ! TMBENZ124+CL=0.8380D+...\n & + 3.1200D-01 * RXRAT( 673 ) ! ETOH+CL=0.3120D+00*RO2C+...\n & + RXRAT( 674 ) ! ALK1+CL=RO2C+xHO2+HCL+...\n & + 9.7000D-01 * RXRAT( 675 ) ! ALK2+CL=0.9700D+00*RO2C+...\n & + 1.3610D+00 * RXRAT( 676 ) ! ALK3+CL=0.1361D+01*RO2C+...\n & + 1.7370D+00 * RXRAT( 677 ) ! ALK4+CL=0.1737D+01*RO2C+...\n & + 1.5410D+00 * RXRAT( 678 ) ! ALK5+CL=0.1541D+01*RO2C+...\n & + 1.6080D+00 * RXRAT( 679 ) ! OLE1+CL=0.1608D+01*RO2C+...\n & + 1.4920D+00 * RXRAT( 680 ) ! OLE2+CL=0.1492D+01*RO2C+...\n & + 8.4000D-01 * RXRAT( 681 ) ! ARO1+CL=0.8400D+00*RO2C+...\n & + 8.2800D-01 * RXRAT( 682 ) ! ARO2MN+CL=0.8280D+00*RO2C+...\n & + 8.2800D-01 * RXRAT( 683 ) ! NAPHTHAL+CL=0.8280D+...\n & + 2.2580D+00 * RXRAT( 684 ) ! TERP+CL=0.2258D+01*RO2C+...\n & + 2.2580D+00 * RXRAT( 685 ) ! SESQ+CL=0.2258D+01*RO2C+...\n & + RXRAT( 792 ) ! MACO3+RCO3=RO2C+0.2000D+...\n & + RXRAT( 793 ) ! MACO3+BZCO3=RO2C+0.2000D+...\n & + 5.0000D-01 * RXRAT( 824 ) ! MACR+NO3=0.5000D+00*RO2C+...\n & + 3.3000D-01 * RXRAT( 825 ) ! MACR=0.3300D+00*RO2C+...\n & + 8.0200D-01 * RXRAT( 826 ) ! MACR+CL=0.8020D+00*RO2C+...\n & + RXRAT( 834 ) ! IMACO3+RCO3=RO2C+0.2000D+...\n & + RXRAT( 835 ) ! IMACO3+BZCO3=RO2C+0.2000D+...\n & + 1.2820D+00 * RXRAT( 881 ) ! MTNO3+CL=0.1282D+01*RO2C+...\n & + 9.7600D-01 * RXRAT( 882 ) ! MTNO3+OH=0.9760D+00*RO2C+...\n & + 7.2100D-01 * RXRAT( 883 ) ! MTNO3=0.7210D+00*RO2C+...\n LOSS( RO2C ) = RXRAT( 52 ) ! RO2C+NO=NO2\n & + RXRAT( 53 ) ! RO2C+HO2=\n & + RXRAT( 54 ) ! RO2C+NO3=NO2\n & + RXRAT( 55 ) ! RO2C+MEO2=0.5000D+00*HO2+...\n & + 2.0000D+00 * RXRAT( 56 ) ! RO2C+RO2C=\n & + RXRAT( 61 ) ! RO2C+RO2XC=\n & + RXRAT( 70 ) ! RO2C+MECO3=MEO2+CO2\n & + 6.0700D-01 * RXRAT( 575 ) ! RO2C+TERPNRO2=0.3930D+...\n & + RXRAT( 713 ) ! RO2C+ISOPO2=0.4500D+00*HO2+...\n & + RXRAT( 724 ) ! RO2C+NISOPO2=0.6000D+...\n & + RXRAT( 731 ) ! RO2C+HC5OO=0.1170D+...\n & + RXRAT( 738 ) ! RO2C+ISOPNOOD=0.1700D+...\n & + RXRAT( 745 ) ! RO2C+ISOPNOOB=0.3000D+...\n & + RXRAT( 753 ) ! RO2C+NIT1NO3OOA=PROPNN+CO+...\n & + RXRAT( 759 ) ! RO2C+NIT1NO3OOB=0.7000D+...\n & + RXRAT( 766 ) ! RO2C+NIT1OHOO=0.6890D+...\n & + RXRAT( 772 ) ! RO2C+DIBOO=0.5000D+00*HO2+...\n & + RXRAT( 778 ) ! RO2C+MVKOO=0.3500D+...\n & + RXRAT( 783 ) ! RO2C+MACROO=0.5000D+00*HO2+...\n & + RXRAT( 789 ) ! RO2C+MACO3=CO+CO2+HCHO+MEO2\n & + RXRAT( 817 ) ! RO2C+IEPOXOO=0.3630D+...\n & + RXRAT( 831 ) ! RO2C+IMACO3=CO+CO2+HCHO+MEO2\n\n PROD( RO2XC ) = 3.9000D-02 * RXRAT( 206 ) ! MEK+OH=0.3900D-01*RO2XC+...\n & + 4.0000D-03 * RXRAT( 214 ) ! ROOH+OH=0.4000D-02*RO2XC+...\n & + 2.9000D-02 * RXRAT( 216 ) ! R6OOH+OH=0.2900D-01*RO2XC+...\n & + 7.7000D-02 * RXRAT( 217 ) ! R6OOH=0.7700D-01*RO2XC+...\n & + 1.2400D-01 * RXRAT( 218 ) ! RAOOH+OH=0.1240D+00*RO2XC+...\n & + 6.0000D-02 * RXRAT( 236 ) ! AFG1+OH=0.6000D-01*RO2XC+...\n & + 6.0000D-02 * RXRAT( 239 ) ! AFG2+OH=0.6000D-01*RO2XC+...\n & + 1.1700D-01 * RXRAT( 242 ) ! AFG3+OH=0.1170D+00*RO2XC+...\n & + 7.0000D-03 * RXRAT( 243 ) ! AFG3+O3=0.7000D-02*RO2XC+...\n & + 4.1000D-02 * RXRAT( 249 ) ! IPRD+OH=0.4100D-01*RO2XC+...\n & + 5.1000D-02 * RXRAT( 251 ) ! IPRD+NO3=0.5100D-01*RO2XC+...\n & + 7.1000D-02 * RXRAT( 253 ) ! PRD2+OH=0.7100D-01*RO2XC+...\n & + 8.7000D-02 * RXRAT( 254 ) ! PRD2=0.8700D-01*RO2XC+...\n & + 1.7500D-01 * RXRAT( 255 ) ! RNO3+OH=0.1750D+00*RO2XC+...\n & + 1.0200D-01 * RXRAT( 256 ) ! RNO3=0.1020D+00*RO2XC+...\n & + 2.0000D-03 * RXRAT( 261 ) ! ACROLEIN+NO3=0.2000D-...\n & + 1.6000D-02 * RXRAT( 528 ) ! PROPENE+OH=0.1600D-...\n & + 5.1000D-02 * RXRAT( 530 ) ! PROPENE+NO3=0.5100D-...\n & + 4.9000D-02 * RXRAT( 532 ) ! BUTADIENE13+OH=0.4900D-...\n & + 6.5000D-02 * RXRAT( 534 ) ! BUTADIENE13+NO3=0.6500D-...\n & + 1.5000D-02 * RXRAT( 535 ) ! BUTADIENE13+O3P=0.1500D-...\n & + 8.0000D-03 * RXRAT( 536 ) ! ISOPRENE+O3=0.8000D-...\n & + 1.0000D-02 * RXRAT( 537 ) ! ISOPRENE+O3P=0.1000D-...\n & + 1.9700D-01 * RXRAT( 538 ) ! APIN+OH=0.1970D+00*RO2XC+...\n & + 3.3700D-01 * RXRAT( 539 ) ! APIN+O3=0.3370D+00*RO2XC+...\n & + 2.9300D-01 * RXRAT( 540 ) ! APIN+NO3=0.2930D+00*RO2XC+...\n & + 2.4000D-02 * RXRAT( 544 ) ! BENZENE+OH=0.2400D-...\n & + 5.4000D-02 * RXRAT( 545 ) ! TOLUENE+OH=0.5400D-...\n & + 8.2000D-02 * RXRAT( 546 ) ! MXYL+OH=0.8200D-01*RO2XC+...\n & + 8.7000D-02 * RXRAT( 547 ) ! OXYL+OH=0.8700D-01*RO2XC+...\n & + 7.6000D-02 * RXRAT( 548 ) ! PXYL+OH=0.7600D-01*RO2XC+...\n & + 1.2100D-01 * RXRAT( 549 ) ! TMBENZ124+OH=0.1210D+...\n & + 3.5000D-02 * RXRAT( 552 ) ! ALK2+OH=0.3500D-01*RO2XC+...\n & + 7.0000D-02 * RXRAT( 553 ) ! ALK3+OH=0.7000D-01*RO2XC+...\n & + 1.4900D-01 * RXRAT( 554 ) ! ALK4+OH=0.1490D+00*RO2XC+...\n & + 3.5300D-01 * RXRAT( 555 ) ! ALK5+OH=0.3530D+00*RO2XC+...\n & + 1.2800D-01 * RXRAT( 557 ) ! OLE1+OH=0.1280D+00*RO2XC+...\n & + 5.0000D-03 * RXRAT( 558 ) ! OLE1+O3=0.5000D-02*RO2XC+...\n & + 2.2800D-01 * RXRAT( 559 ) ! OLE1+NO3=0.2280D+00*RO2XC+...\n & + 8.8000D-02 * RXRAT( 561 ) ! OLE2+OH=0.8800D-01*RO2XC+...\n & + 3.0000D-03 * RXRAT( 562 ) ! OLE2+O3=0.3000D-02*RO2XC+...\n & + 1.4000D-01 * RXRAT( 563 ) ! OLE2+NO3=0.1400D+00*RO2XC+...\n & + 1.1000D-01 * RXRAT( 565 ) ! ARO1+OH=0.1100D+00*RO2XC+...\n & + 1.2800D-01 * RXRAT( 566 ) ! ARO2MN+OH=0.1280D+00*RO2XC+...\n & + 1.2800D-01 * RXRAT( 567 ) ! NAPHTHAL+OH=0.1280D+...\n & + 2.0100D-01 * RXRAT( 568 ) ! TERP+OH=0.2010D+00*RO2XC+...\n & + 1.2100D-01 * RXRAT( 569 ) ! TERP+O3=0.1210D+00*RO2XC+...\n & + 2.0100D-01 * RXRAT( 583 ) ! SESQ+OH=0.2010D+00*RO2XC+...\n & + 1.2100D-01 * RXRAT( 584 ) ! SESQ+O3=0.1210D+00*RO2XC+...\n & + 4.6000D-01 * RXRAT( 585 ) ! SESQ+NO3=0.4600D+00*RO2XC+...\n & + 3.9000D-02 * RXRAT( 614 ) ! MEK+CL=0.3900D-01*RO2XC+...\n & + 2.0200D-01 * RXRAT( 615 ) ! RNO3+CL=0.2020D+00*RO2XC+...\n & + 1.1600D-01 * RXRAT( 616 ) ! PRD2+CL=0.1160D+00*RO2XC+...\n & + 1.1700D-01 * RXRAT( 622 ) ! R6OOH+CL=0.1170D+00*RO2XC+...\n & + 1.2400D-01 * RXRAT( 623 ) ! RAOOH+CL=0.1240D+00*RO2XC+...\n & + 2.6000D-02 * RXRAT( 624 ) ! ACROLEIN+CL=0.2600D-...\n & + 5.3000D-02 * RXRAT( 625 ) ! MVK+CL=0.5300D-01*RO2XC+...\n & + 5.1000D-02 * RXRAT( 626 ) ! IPRD+CL=0.5100D-01*RO2XC+...\n & + 2.9000D-02 * RXRAT( 663 ) ! PROPENE+CL=0.2900D-...\n & + 6.9000D-02 * RXRAT( 664 ) ! BUTADIENE13+CL=0.6900D-...\n & + 8.5000D-02 * RXRAT( 665 ) ! ISOPRENE+CL=0.8500D-...\n & + 5.8200D-01 * RXRAT( 666 ) ! APIN+CL=0.5820D+00*RO2XC+...\n & + 1.0600D-01 * RXRAT( 668 ) ! TOLUENE+CL=0.1060D+...\n & + 1.3600D-01 * RXRAT( 669 ) ! MXYL+CL=0.1360D+00*RO2XC+...\n & + 1.3600D-01 * RXRAT( 670 ) ! OXYL+CL=0.1360D+00*RO2XC+...\n & + 1.3600D-01 * RXRAT( 671 ) ! PXYL+CL=0.1360D+00*RO2XC+...\n & + 1.6200D-01 * RXRAT( 672 ) ! TMBENZ124+CL=0.1620D+...\n & + 3.0000D-02 * RXRAT( 675 ) ! ALK2+CL=0.3000D-01*RO2XC+...\n & + 7.0000D-02 * RXRAT( 676 ) ! ALK3+CL=0.7000D-01*RO2XC+...\n & + 1.6500D-01 * RXRAT( 677 ) ! ALK4+CL=0.1650D+00*RO2XC+...\n & + 3.5200D-01 * RXRAT( 678 ) ! ALK5+CL=0.3520D+00*RO2XC+...\n & + 1.2700D-01 * RXRAT( 679 ) ! OLE1+CL=0.1270D+00*RO2XC+...\n & + 1.0600D-01 * RXRAT( 680 ) ! OLE2+CL=0.1060D+00*RO2XC+...\n & + 1.6000D-01 * RXRAT( 681 ) ! ARO1+CL=0.1600D+00*RO2XC+...\n & + 1.7200D-01 * RXRAT( 682 ) ! ARO2MN+CL=0.1720D+00*RO2XC+...\n & + 1.7200D-01 * RXRAT( 683 ) ! NAPHTHAL+CL=0.1720D+...\n & + 5.8200D-01 * RXRAT( 684 ) ! TERP+CL=0.5820D+00*RO2XC+...\n & + 5.8200D-01 * RXRAT( 685 ) ! SESQ+CL=0.5820D+00*RO2XC+...\n & + 3.3000D-02 * RXRAT( 826 ) ! MACR+CL=0.3300D-01*RO2XC+...\n & + 2.0200D-01 * RXRAT( 881 ) ! MTNO3+CL=0.2020D+00*RO2XC+...\n & + 1.7500D-01 * RXRAT( 882 ) ! MTNO3+OH=0.1750D+00*RO2XC+...\n & + 1.0200D-01 * RXRAT( 883 ) ! MTNO3=0.1020D+00*RO2XC+...\n LOSS( RO2XC ) = RXRAT( 57 ) ! RO2XC+NO=\n & + RXRAT( 58 ) ! RO2XC+HO2=\n & + RXRAT( 59 ) ! RO2XC+NO3=NO2\n & + RXRAT( 60 ) ! RO2XC+MEO2=0.5000D+00*HO2+...\n & + RXRAT( 61 ) ! RO2XC+RO2C=\n & + 2.0000D+00 * RXRAT( 62 ) ! RO2XC+RO2XC=\n & + RXRAT( 71 ) ! RO2XC+MECO3=MEO2+CO2\n & + RXRAT( 81 ) ! RO2XC+RCO3=RO2C+xHO2+xCCHO+...\n & + RXRAT( 92 ) ! RO2XC+BZCO3=RO2C+BZO+CO2\n & + RXRAT( 576 ) ! RO2XC+TERPNRO2=0.2660D+...\n & + RXRAT( 790 ) ! RO2XC+MACO3=CO+CO2+HCHO+MEO2\n & + RXRAT( 832 ) ! RO2XC+IMACO3=CO+CO2+HCHO+MEO2\n\n PROD( CCOOOH ) = 1.0500D-01 * RXRAT( 67 ) ! MECO3+HO2=0.1050D+...\n LOSS( CCOOOH ) = RXRAT( 264 ) ! CCOOOH+OH=0.9800D+00*MECO3+...\n & + RXRAT( 265 ) ! CCOOOH=MEO2+CO2+OH\n\n PROD( CCOOH ) = 4.5000D-02 * RXRAT( 67 ) ! MECO3+HO2=0.4500D-01*CCOOH+...\n & + 1.0000D-01 * RXRAT( 69 ) ! MECO3+MEO2=0.1000D+...\n & + 5.0000D-02 * RXRAT( 263 ) ! ACROLEIN=0.5000D-01*CCOOH+...\n & + 7.5000D-02 * RXRAT( 529 ) ! PROPENE+O3=0.7500D-...\n & + 6.5000D-02 * RXRAT( 562 ) ! OLE2+O3=0.6500D-01*CCOOH+...\n & + 1.2500D-01 * RXRAT( 797 ) ! HACET+OH=0.1250D+00*CCOOH+...\n & + 8.0000D-02 * RXRAT( 807 ) ! MACRN+OH=0.8000D-01*CCOOH+...\n LOSS( CCOOH ) = RXRAT( 210 ) ! CCOOH+OH=0.5090D+00*MEO2+...\n\n PROD( RCO3 ) = RXRAT( 74 ) ! PAN2=RCO3+NO2\n & + 6.0000D-01 * RXRAT( 75 ) ! PAN2=0.6000D+00*RCO3+...\n & + RXRAT( 154 ) ! xRCO3+NO=RCO3+NO\n & + RXRAT( 156 ) ! xRCO3+NO3=RCO3+NO3\n & + 5.0000D-01 * RXRAT( 157 ) ! xRCO3+MEO2=0.5000D+00*RCO3+...\n & + 5.0000D-01 * RXRAT( 158 ) ! xRCO3+RO2C=0.5000D+00*RCO3+...\n & + 5.0000D-01 * RXRAT( 159 ) ! xRCO3+RO2XC=0.5000D+...\n & + RXRAT( 160 ) ! xRCO3+MECO3=RCO3+MECO3\n & + RXRAT( 161 ) ! xRCO3+RCO3=0.2000D+01*RCO3\n & + RXRAT( 162 ) ! xRCO3+BZCO3=RCO3+BZCO3\n & + RXRAT( 163 ) ! xRCO3+MACO3=RCO3+MACO3\n & + 9.6500D-01 * RXRAT( 201 ) ! RCHO+OH=0.9650D+00*RCO3+...\n & + RXRAT( 203 ) ! RCHO+NO3=RCO3+HNO3\n & + 3.0000D-01 * RXRAT( 252 ) ! IPRD=0.3000D+00*RCO3+...\n & + 6.0000D-01 * RXRAT( 254 ) ! PRD2=0.6000D+00*RCO3+...\n & + 8.0600D-01 * RXRAT( 266 ) ! RCOOOH+OH=0.8060D+00*RCO3+...\n & + 2.6000D-02 * RXRAT( 571 ) ! TERPNRO2+NO=0.2600D-...\n & + 4.8000D-02 * RXRAT( 573 ) ! TERPNRO2+NO3=0.4800D-...\n & + 2.4000D-02 * RXRAT( 574 ) ! TERPNRO2+MEO2=0.2400D-...\n & + 2.4000D-02 * RXRAT( 575 ) ! TERPNRO2+RO2C=0.2400D-...\n & + 2.4000D-02 * RXRAT( 576 ) ! TERPNRO2+RO2XC=0.2400D-...\n & + 4.8000D-02 * RXRAT( 577 ) ! TERPNRO2+MECO3=0.4800D-...\n & + 4.8000D-02 * RXRAT( 579 ) ! TERPNRO2+BZCO3=0.4800D-...\n & + 4.8000D-02 * RXRAT( 580 ) ! TERPNRO2+MACO3=0.4800D-...\n & + 4.8000D-02 * RXRAT( 581 ) ! TERPNRO2+IMACO3=0.4800D-...\n & + 9.0000D-01 * RXRAT( 612 ) ! RCHO+CL=0.9000D+00*RCO3+...\n & + 3.7000D-01 * RXRAT( 617 ) ! GLY+CL=0.3700D+00*RCO3+...\n & + RXRAT( 628 ) ! CLCCHO+OH=RCO3\n & + RXRAT( 629 ) ! CLCCHO+CL=RCO3+HCL\n & + RXRAT( 845 ) ! xRCO3+IMACO3=RCO3+IMACO3\n LOSS( RCO3 ) = RXRAT( 73 ) ! RCO3+NO2=PAN2\n & + RXRAT( 76 ) ! RCO3+NO=NO2+RO2C+xHO2+...\n & + RXRAT( 77 ) ! RCO3+HO2=0.3075D+00*RCOOOH+...\n & + RXRAT( 78 ) ! RCO3+NO3=NO2+RO2C+xHO2+...\n & + RXRAT( 79 ) ! RCO3+MEO2=HCHO+HO2+RO2C+...\n & + RXRAT( 80 ) ! RCO3+RO2C=RO2C+xHO2+xCCHO+...\n & + RXRAT( 81 ) ! RCO3+RO2XC=RO2C+xHO2+xCCHO+...\n & + RXRAT( 82 ) ! RCO3+MECO3=0.2000D+01*CO2+...\n & + 2.0000D+00 * RXRAT( 83 ) ! RCO3+RCO3=0.2000D+01*RO2C+...\n & + RXRAT( 94 ) ! RCO3+BZCO3=0.2000D+01*CO2+...\n & + 9.5200D-01 * RXRAT( 578 ) ! RCO3+TERPNRO2=0.4800D-...\n & + RXRAT( 792 ) ! RCO3+MACO3=CO+0.2000D+...\n & + RXRAT( 834 ) ! RCO3+IMACO3=CO+0.2000D+...\n\n PROD( PAN2 ) = RXRAT( 73 ) ! RCO3+NO2=PAN2\n LOSS( PAN2 ) = RXRAT( 74 ) ! PAN2=RCO3+NO2\n & + RXRAT( 75 ) ! PAN2=0.6000D+00*RCO3+...\n\n PROD( xHO2 ) = 4.0000D-01 * RXRAT( 75 ) ! PAN2=0.4000D+00*xHO2+...\n & + RXRAT( 76 ) ! RCO3+NO=xHO2+RO2C+NO2+...\n & + 4.4000D-01 * RXRAT( 77 ) ! RCO3+HO2=0.4400D+00*xHO2+...\n & + RXRAT( 78 ) ! RCO3+NO3=xHO2+RO2C+NO2+...\n & + RXRAT( 79 ) ! RCO3+MEO2=xHO2+HO2+RO2C+...\n & + RXRAT( 80 ) ! RCO3+RO2C=xHO2+RO2C+xCCHO+...\n & + RXRAT( 81 ) ! RCO3+RO2XC=xHO2+RO2C+xCCHO+...\n & + RXRAT( 82 ) ! RCO3+MECO3=xHO2+MEO2+RO2C+...\n & + 2.0000D+00 * RXRAT( 83 ) ! RCO3+RCO3=0.2000D+01*xHO2+...\n & + RXRAT( 94 ) ! BZCO3+RCO3=xHO2+0.2000D+...\n & + RXRAT( 103 ) ! BZO=xHO2+RO2C+CRES\n & + 3.5000D-02 * RXRAT( 201 ) ! RCHO+OH=0.3500D-01*xHO2+...\n & + RXRAT( 202 ) ! RCHO=xHO2+RO2C+yROOH+xCCHO+...\n & + 3.7600D-01 * RXRAT( 206 ) ! MEK+OH=0.3760D+00*xHO2+...\n & + RXRAT( 207 ) ! MEK=xHO2+RO2C+MECO3+xCCHO+...\n & + 4.9100D-01 * RXRAT( 210 ) ! CCOOH+OH=0.4910D+00*xHO2+...\n & + RXRAT( 211 ) ! RCOOH+OH=xHO2+RO2C+0.1430D+...\n & + 2.3900D-01 * RXRAT( 214 ) ! ROOH+OH=0.2390D+00*xHO2+...\n & + 9.0000D-02 * RXRAT( 216 ) ! R6OOH+OH=0.9000D-01*xHO2+...\n & + 7.8200D-01 * RXRAT( 217 ) ! R6OOH=0.7820D+00*xHO2+...\n & + 5.6500D-01 * RXRAT( 218 ) ! RAOOH+OH=0.5650D+00*xHO2+...\n & + 8.0000D-01 * RXRAT( 228 ) ! CRES+OH=0.8000D+00*xHO2+...\n & + 5.2100D-01 * RXRAT( 236 ) ! AFG1+OH=0.5210D+00*xHO2+...\n & + 5.2100D-01 * RXRAT( 239 ) ! AFG2+OH=0.5210D+00*xHO2+...\n & + 5.6100D-01 * RXRAT( 242 ) ! AFG3+OH=0.5610D+00*xHO2+...\n & + 9.5000D-02 * RXRAT( 243 ) ! AFG3+O3=0.9500D-01*xHO2+...\n & + 5.0000D-02 * RXRAT( 246 ) ! MVK+O3=0.5000D-01*xHO2+...\n & + 6.7000D-01 * RXRAT( 249 ) ! IPRD+OH=0.6700D+00*xHO2+...\n & + 7.9900D-01 * RXRAT( 251 ) ! IPRD+NO3=0.7990D+00*xHO2+...\n & + 3.7900D-01 * RXRAT( 253 ) ! PRD2+OH=0.3790D+00*xHO2+...\n & + 9.1300D-01 * RXRAT( 254 ) ! PRD2=0.9130D+00*xHO2+...\n & + 3.0500D-01 * RXRAT( 255 ) ! RNO3+OH=0.3050D+00*xHO2+...\n & + 5.5400D-01 * RXRAT( 256 ) ! RNO3=0.5540D+00*xHO2+...\n & + 2.5000D-01 * RXRAT( 259 ) ! ACROLEIN+OH=0.2500D+...\n & + 3.1000D-02 * RXRAT( 261 ) ! ACROLEIN+NO3=0.3100D-...\n & + 8.4000D-02 * RXRAT( 266 ) ! RCOOOH+OH=0.8400D-01*xHO2+...\n & + RXRAT( 267 ) ! RCOOOH=xHO2+xCCHO+yROOH+CO2+OH\n & + RXRAT( 524 ) ! ETHENE+OH=xHO2+RO2C+...\n & + RXRAT( 526 ) ! ETHENE+NO3=xHO2+RO2C+xRCHO+...\n & + 2.9000D-01 * RXRAT( 527 ) ! ETHENE+O3P=0.2900D+00*xHO2+...\n & + 9.8400D-01 * RXRAT( 528 ) ! PROPENE+OH=0.9840D+00*xHO2+...\n & + 9.4900D-01 * RXRAT( 530 ) ! PROPENE+NO3=0.9490D+...\n & + 9.5100D-01 * RXRAT( 532 ) ! BUTADIENE13+OH=0.9510D+...\n & + 8.1500D-01 * RXRAT( 534 ) ! BUTADIENE13+NO3=0.8150D+...\n & + 1.1700D-01 * RXRAT( 535 ) ! BUTADIENE13+O3P=0.1170D+...\n & + 7.9900D-01 * RXRAT( 538 ) ! APIN+OH=0.7990D+00*xHO2+...\n & + 1.0200D-01 * RXRAT( 539 ) ! APIN+O3=0.1020D+00*xHO2+...\n & + 5.6000D-02 * RXRAT( 540 ) ! APIN+NO3=0.5600D-01*xHO2+...\n & + 2.9000D-01 * RXRAT( 544 ) ! BENZENE+OH=0.2900D+00*xHO2+...\n & + 4.5400D-01 * RXRAT( 545 ) ! TOLUENE+OH=0.4540D+00*xHO2+...\n & + 5.2000D-01 * RXRAT( 546 ) ! MXYL+OH=0.5200D+00*xHO2+...\n & + 5.5400D-01 * RXRAT( 547 ) ! OXYL+OH=0.5540D+00*xHO2+...\n & + 4.8700D-01 * RXRAT( 548 ) ! PXYL+OH=0.4870D+00*xHO2+...\n & + 6.2700D-01 * RXRAT( 549 ) ! TMBENZ124+OH=0.6270D+...\n & + 5.0000D-02 * RXRAT( 550 ) ! ETOH+OH=0.5000D-01*xHO2+...\n & + RXRAT( 551 ) ! ALK1+OH=xHO2+RO2C+xCCHO+yROOH\n & + 9.6500D-01 * RXRAT( 552 ) ! ALK2+OH=0.9650D+00*xHO2+...\n & + 6.9500D-01 * RXRAT( 553 ) ! ALK3+OH=0.6950D+00*xHO2+...\n & + 8.3000D-01 * RXRAT( 554 ) ! ALK4+OH=0.8300D+00*xHO2+...\n & + 6.4700D-01 * RXRAT( 555 ) ! ALK5+OH=0.6470D+00*xHO2+...\n & + 8.7100D-01 * RXRAT( 557 ) ! OLE1+OH=0.8710D+00*xHO2+...\n & + 5.7000D-02 * RXRAT( 558 ) ! OLE1+O3=0.5700D-01*xHO2+...\n & + 7.7200D-01 * RXRAT( 559 ) ! OLE1+NO3=0.7720D+00*xHO2+...\n & + 9.1200D-01 * RXRAT( 561 ) ! OLE2+OH=0.9120D+00*xHO2+...\n & + 4.1000D-02 * RXRAT( 562 ) ! OLE2+O3=0.4100D-01*xHO2+...\n & + 4.0000D-01 * RXRAT( 563 ) ! OLE2+NO3=0.4000D+00*xHO2+...\n & + 5.6600D-01 * RXRAT( 565 ) ! ARO1+OH=0.5660D+00*xHO2+...\n & + 6.1700D-01 * RXRAT( 566 ) ! ARO2MN+OH=0.6170D+00*xHO2+...\n & + 6.1700D-01 * RXRAT( 567 ) ! NAPHTHAL+OH=0.6170D+...\n & + 7.3400D-01 * RXRAT( 568 ) ! TERP+OH=0.7340D+00*xHO2+...\n & + 4.6000D-02 * RXRAT( 569 ) ! TERP+O3=0.4600D-01*xHO2+...\n & + RXRAT( 578 ) ! TERPNRO2+RCO3=xHO2+0.4220D+...\n & + 7.3400D-01 * RXRAT( 583 ) ! SESQ+OH=0.7340D+00*xHO2+...\n & + 4.6000D-02 * RXRAT( 584 ) ! SESQ+O3=0.4600D-01*xHO2+...\n & + 2.2700D-01 * RXRAT( 585 ) ! SESQ+NO3=0.2270D+00*xHO2+...\n & + 1.0000D-01 * RXRAT( 612 ) ! RCHO+CL=0.1000D+00*xHO2+...\n & + 8.4000D-01 * RXRAT( 614 ) ! MEK+CL=0.8400D+00*xHO2+...\n & + 5.4700D-01 * RXRAT( 615 ) ! RNO3+CL=0.5470D+00*xHO2+...\n & + 5.4100D-01 * RXRAT( 616 ) ! PRD2+CL=0.5410D+00*xHO2+...\n & + RXRAT( 619 ) ! CRES+CL=xHO2+HCL+xBALD+yR6OOH\n & + 4.8200D-01 * RXRAT( 621 ) ! ROOH+CL=0.4820D+00*xHO2+...\n & + 2.3700D-01 * RXRAT( 622 ) ! R6OOH+CL=0.2370D+00*xHO2+...\n & + 5.6500D-01 * RXRAT( 623 ) ! RAOOH+CL=0.5650D+00*xHO2+...\n & + 4.8400D-01 * RXRAT( 624 ) ! ACROLEIN+CL=0.4840D+...\n & + 3.2200D-01 * RXRAT( 625 ) ! MVK+CL=0.3220D+00*xHO2+...\n & + 7.1200D-01 * RXRAT( 626 ) ! IPRD+CL=0.7120D+00*xHO2+...\n & + RXRAT( 662 ) ! ETHENE+CL=xHO2+0.2000D+...\n & + 9.7100D-01 * RXRAT( 663 ) ! PROPENE+CL=0.9710D+00*xHO2+...\n & + 3.9000D-01 * RXRAT( 664 ) ! BUTADIENE13+CL=0.3900D+...\n & + 7.3800D-01 * RXRAT( 665 ) ! ISOPRENE+CL=0.7380D+...\n & + 2.5200D-01 * RXRAT( 666 ) ! APIN+CL=0.2520D+00*xHO2+...\n & + 8.9400D-01 * RXRAT( 668 ) ! TOLUENE+CL=0.8940D+00*xHO2+...\n & + 8.6400D-01 * RXRAT( 669 ) ! MXYL+CL=0.8640D+00*xHO2+...\n & + 8.6400D-01 * RXRAT( 670 ) ! OXYL+CL=0.8640D+00*xHO2+...\n & + 8.6400D-01 * RXRAT( 671 ) ! PXYL+CL=0.8640D+00*xHO2+...\n & + 8.3800D-01 * RXRAT( 672 ) ! TMBENZ124+CL=0.8380D+...\n & + 3.1200D-01 * RXRAT( 673 ) ! ETOH+CL=0.3120D+00*xHO2+...\n & + RXRAT( 674 ) ! ALK1+CL=xHO2+HCL+RO2C+...\n & + 9.7000D-01 * RXRAT( 675 ) ! ALK2+CL=0.9700D+00*xHO2+...\n & + 8.3500D-01 * RXRAT( 676 ) ! ALK3+CL=0.8350D+00*xHO2+...\n & + 8.2700D-01 * RXRAT( 677 ) ! ALK4+CL=0.8270D+00*xHO2+...\n & + 6.4700D-01 * RXRAT( 678 ) ! ALK5+CL=0.6470D+00*xHO2+...\n & + 8.7300D-01 * RXRAT( 679 ) ! OLE1+CL=0.8730D+00*xHO2+...\n & + 4.5000D-01 * RXRAT( 680 ) ! OLE2+CL=0.4500D+00*xHO2+...\n & + 8.4000D-01 * RXRAT( 681 ) ! ARO1+CL=0.8400D+00*xHO2+...\n & + 8.2800D-01 * RXRAT( 682 ) ! ARO2MN+CL=0.8280D+00*xHO2+...\n & + 8.2800D-01 * RXRAT( 683 ) ! NAPHTHAL+CL=0.8280D+...\n & + 2.5200D-01 * RXRAT( 684 ) ! TERP+CL=0.2520D+00*xHO2+...\n & + 2.5200D-01 * RXRAT( 685 ) ! SESQ+CL=0.2520D+00*xHO2+...\n & + RXRAT( 792 ) ! MACO3+RCO3=xHO2+0.2000D+...\n & + 5.0000D-01 * RXRAT( 824 ) ! MACR+NO3=0.5000D+00*xHO2+...\n & + 8.0200D-01 * RXRAT( 826 ) ! MACR+CL=0.8020D+00*xHO2+...\n & + RXRAT( 834 ) ! IMACO3+RCO3=xHO2+0.2000D+...\n & + 5.4700D-01 * RXRAT( 881 ) ! MTNO3+CL=0.5470D+00*xHO2+...\n & + 3.0500D-01 * RXRAT( 882 ) ! MTNO3+OH=0.3050D+00*xHO2+...\n & + 5.5400D-01 * RXRAT( 883 ) ! MTNO3=0.5540D+00*xHO2+...\n LOSS( xHO2 ) = RXRAT( 104 ) ! xHO2+NO=NO+HO2\n & + RXRAT( 105 ) ! xHO2+HO2=HO2\n & + RXRAT( 106 ) ! xHO2+NO3=NO3+HO2\n & + RXRAT( 107 ) ! xHO2+MEO2=MEO2+0.5000D+00*HO2\n & + RXRAT( 108 ) ! xHO2+RO2C=RO2C+0.5000D+00*HO2\n & + RXRAT( 109 ) ! xHO2+RO2XC=RO2XC+0.5000D+...\n & + RXRAT( 110 ) ! xHO2+MECO3=MECO3+HO2\n & + RXRAT( 111 ) ! xHO2+RCO3=RCO3+HO2\n & + RXRAT( 112 ) ! xHO2+BZCO3=BZCO3+HO2\n & + RXRAT( 113 ) ! xHO2+MACO3=MACO3+HO2\n & + RXRAT( 850 ) ! xHO2+IMACO3=IMACO3+HO2\n\n PROD( yROOH ) = 4.0000D-01 * RXRAT( 75 ) ! PAN2=0.4000D+00*yROOH+...\n & + RXRAT( 76 ) ! RCO3+NO=yROOH+RO2C+xHO2+...\n & + 4.4000D-01 * RXRAT( 77 ) ! RCO3+HO2=0.4400D+00*yROOH+...\n & + RXRAT( 78 ) ! RCO3+NO3=yROOH+RO2C+xHO2+...\n & + RXRAT( 79 ) ! RCO3+MEO2=yROOH+HO2+RO2C+...\n & + RXRAT( 80 ) ! RCO3+RO2C=yROOH+xHO2+xCCHO+...\n & + RXRAT( 81 ) ! RCO3+RO2XC=yROOH+xHO2+...\n & + RXRAT( 82 ) ! RCO3+MECO3=yROOH+MEO2+RO2C+...\n & + 2.0000D+00 * RXRAT( 83 ) ! RCO3+RCO3=0.2000D+01*yROOH+...\n & + RXRAT( 94 ) ! BZCO3+RCO3=yROOH+0.2000D+...\n & + 3.5000D-02 * RXRAT( 201 ) ! RCHO+OH=0.3500D-01*yROOH+...\n & + RXRAT( 202 ) ! RCHO=yROOH+xHO2+RO2C+xCCHO+...\n & + RXRAT( 204 ) ! ACETONE+OH=yROOH+xMECO3+...\n & + RXRAT( 206 ) ! MEK+OH=yROOH+0.3900D-...\n & + RXRAT( 207 ) ! MEK=yROOH+RO2C+xHO2+xCCHO+...\n & + 4.9100D-01 * RXRAT( 210 ) ! CCOOH+OH=0.4910D+00*yROOH+...\n & + RXRAT( 211 ) ! RCOOH+OH=yROOH+xHO2+...\n & + 2.5600D-01 * RXRAT( 214 ) ! ROOH+OH=0.2560D+00*yROOH+...\n & + 1.6000D-01 * RXRAT( 216 ) ! R6OOH+OH=0.1600D+00*yROOH+...\n & + 1.0000D-01 * RXRAT( 244 ) ! MACR+O3=0.1000D+00*yROOH+...\n & + 5.0000D-02 * RXRAT( 246 ) ! MVK+O3=0.5000D-01*yROOH+...\n & + 1.5700D-01 * RXRAT( 255 ) ! RNO3+OH=0.1570D+00*yROOH+...\n & + 6.6000D-02 * RXRAT( 256 ) ! RNO3=0.6600D-01*yROOH+...\n & + 2.5000D-01 * RXRAT( 259 ) ! ACROLEIN+OH=0.2500D+...\n & + 3.3000D-02 * RXRAT( 261 ) ! ACROLEIN+NO3=0.3300D-...\n & + 2.0000D-02 * RXRAT( 264 ) ! CCOOOH+OH=0.2000D-01*yROOH+...\n & + 1.9400D-01 * RXRAT( 266 ) ! RCOOOH+OH=0.1940D+00*yROOH+...\n & + RXRAT( 267 ) ! RCOOOH=yROOH+xCCHO+xHO2+CO2+OH\n & + RXRAT( 524 ) ! ETHENE+OH=yROOH+RO2C+...\n & + RXRAT( 526 ) ! ETHENE+NO3=yROOH+RO2C+...\n & + 2.9000D-01 * RXRAT( 527 ) ! ETHENE+O3P=0.2900D+...\n & + RXRAT( 528 ) ! PROPENE+OH=yROOH+0.9840D+...\n & + RXRAT( 530 ) ! PROPENE+NO3=yROOH+0.9490D+...\n & + RXRAT( 532 ) ! BUTADIENE13+OH=yROOH+...\n & + RXRAT( 534 ) ! BUTADIENE13+NO3=yROOH+...\n & + 2.5000D-01 * RXRAT( 535 ) ! BUTADIENE13+O3P=0.2500D+...\n & + 5.0000D-02 * RXRAT( 550 ) ! ETOH+OH=0.5000D-01*yROOH+...\n & + RXRAT( 551 ) ! ALK1+OH=yROOH+RO2C+xCCHO+xHO2\n & + RXRAT( 552 ) ! ALK2+OH=yROOH+0.9650D+...\n & + 9.8300D-01 * RXRAT( 553 ) ! ALK3+OH=0.9830D+00*yROOH+...\n & + 1.6900D-01 * RXRAT( 557 ) ! OLE1+OH=0.1690D+00*yROOH+...\n & + 1.1000D-02 * RXRAT( 558 ) ! OLE1+O3=0.1100D-01*yROOH+...\n & + 1.6900D-01 * RXRAT( 559 ) ! OLE1+NO3=0.1690D+00*yROOH+...\n & + 3.1900D-01 * RXRAT( 561 ) ! OLE2+OH=0.3190D+00*yROOH+...\n & + 7.3000D-02 * RXRAT( 562 ) ! OLE2+O3=0.7300D-01*yROOH+...\n & + 3.1900D-01 * RXRAT( 563 ) ! OLE2+NO3=0.3190D+00*yROOH+...\n & + RXRAT( 578 ) ! TERPNRO2+RCO3=yROOH+...\n & + 1.0000D-01 * RXRAT( 612 ) ! RCHO+CL=0.1000D+00*yROOH+...\n & + RXRAT( 613 ) ! ACETONE+CL=yROOH+RO2C+...\n & + RXRAT( 614 ) ! MEK+CL=yROOH+0.9750D+...\n & + 5.8600D-01 * RXRAT( 621 ) ! ROOH+CL=0.5860D+00*yROOH+...\n & + 7.8400D-01 * RXRAT( 624 ) ! ACROLEIN+CL=0.7840D+...\n & + RXRAT( 625 ) ! MVK+CL=yROOH+0.5300D-...\n & + RXRAT( 627 ) ! CLCCHO=yROOH+CO+RO2C+xCL+...\n & + RXRAT( 630 ) ! CLACET=yROOH+RO2C+xCL+...\n & + RXRAT( 663 ) ! PROPENE+CL=yROOH+0.9710D+...\n & + RXRAT( 664 ) ! BUTADIENE13+CL=yROOH+...\n & + 3.1200D-01 * RXRAT( 673 ) ! ETOH+CL=0.3120D+00*yROOH+...\n & + RXRAT( 674 ) ! ALK1+CL=yROOH+xHO2+RO2C+...\n & + RXRAT( 675 ) ! ALK2+CL=yROOH+0.9700D+...\n & + 9.8300D-01 * RXRAT( 676 ) ! ALK3+CL=0.9830D+00*yROOH+...\n & + 1.6900D-01 * RXRAT( 679 ) ! OLE1+CL=0.1690D+00*yROOH+...\n & + 3.1900D-01 * RXRAT( 680 ) ! OLE2+CL=0.3190D+00*yROOH+...\n & + RXRAT( 792 ) ! MACO3+RCO3=yROOH+0.2000D+...\n & + 5.0000D-01 * RXRAT( 824 ) ! MACR+NO3=0.5000D+00*yROOH+...\n & + 3.3000D-01 * RXRAT( 825 ) ! MACR=0.3300D+00*yROOH+...\n & + 8.3500D-01 * RXRAT( 826 ) ! MACR+CL=0.8350D+00*yROOH+...\n & + RXRAT( 834 ) ! IMACO3+RCO3=yROOH+0.2000D+...\n & + 1.5700D-01 * RXRAT( 882 ) ! MTNO3+OH=0.1570D+00*yROOH+...\n & + 6.6000D-02 * RXRAT( 883 ) ! MTNO3=0.6600D-01*yROOH+...\n LOSS( yROOH ) = RXRAT( 452 ) ! yROOH+NO=NO\n & + RXRAT( 453 ) ! yROOH+HO2=HO2+ROOH\n & + RXRAT( 454 ) ! yROOH+NO3=NO3\n & + RXRAT( 455 ) ! yROOH+MEO2=MEO2+0.5000D+00*MEK\n & + RXRAT( 456 ) ! yROOH+RO2C=RO2C+0.5000D+00*MEK\n & + RXRAT( 457 ) ! yROOH+RO2XC=RO2XC+0.5000D+...\n & + RXRAT( 458 ) ! yROOH+MECO3=MECO3\n & + RXRAT( 459 ) ! yROOH+RCO3=RCO3\n & + RXRAT( 460 ) ! yROOH+BZCO3=BZCO3\n & + RXRAT( 461 ) ! yROOH+MACO3=MACO3\n & + RXRAT( 856 ) ! yROOH+IMACO3=IMACO3\n\n PROD( xCCHO ) = 4.0000D-01 * RXRAT( 75 ) ! PAN2=0.4000D+00*xCCHO+...\n & + RXRAT( 76 ) ! RCO3+NO=xCCHO+RO2C+xHO2+...\n & + 4.4000D-01 * RXRAT( 77 ) ! RCO3+HO2=0.4400D+00*xCCHO+...\n & + RXRAT( 78 ) ! RCO3+NO3=xCCHO+RO2C+xHO2+...\n & + RXRAT( 79 ) ! RCO3+MEO2=xCCHO+HO2+RO2C+...\n & + RXRAT( 80 ) ! RCO3+RO2C=xCCHO+xHO2+RO2C+...\n & + RXRAT( 81 ) ! RCO3+RO2XC=xCCHO+xHO2+RO2C+...\n & + RXRAT( 82 ) ! RCO3+MECO3=xCCHO+MEO2+RO2C+...\n & + 2.0000D+00 * RXRAT( 83 ) ! RCO3+RCO3=0.2000D+01*xCCHO+...\n & + RXRAT( 94 ) ! BZCO3+RCO3=xCCHO+0.2000D+...\n & + 3.5000D-02 * RXRAT( 201 ) ! RCHO+OH=0.3500D-01*xCCHO+...\n & + RXRAT( 202 ) ! RCHO=xCCHO+xHO2+yROOH+RO2C+...\n & + 5.0400D-01 * RXRAT( 206 ) ! MEK+OH=0.5040D+00*xCCHO+...\n & + RXRAT( 207 ) ! MEK=xCCHO+RO2C+xHO2+MECO3+...\n & + 1.4200D-01 * RXRAT( 211 ) ! RCOOH+OH=0.1420D+00*xCCHO+...\n & + 1.2000D-02 * RXRAT( 214 ) ! ROOH+OH=0.1200D-01*xCCHO+...\n & + 2.0000D-02 * RXRAT( 216 ) ! R6OOH+OH=0.2000D-01*xCCHO+...\n & + 2.6000D-02 * RXRAT( 217 ) ! R6OOH=0.2600D-01*xCCHO+...\n & + 8.3000D-02 * RXRAT( 253 ) ! PRD2+OH=0.8300D-01*xCCHO+...\n & + 1.6300D-01 * RXRAT( 254 ) ! PRD2=0.1630D+00*xCCHO+...\n & + 4.2900D-01 * RXRAT( 255 ) ! RNO3+OH=0.4290D+00*xCCHO+...\n & + 2.3000D-01 * RXRAT( 256 ) ! RNO3=0.2300D+00*xCCHO+...\n & + 1.6700D-01 * RXRAT( 259 ) ! ACROLEIN+OH=0.1670D+...\n & + 1.1000D-01 * RXRAT( 266 ) ! RCOOOH+OH=0.1100D+00*xCCHO+...\n & + RXRAT( 267 ) ! RCOOOH=xCCHO+xHO2+yROOH+CO2+OH\n & + 9.8400D-01 * RXRAT( 528 ) ! PROPENE+OH=0.9840D+...\n & + RXRAT( 551 ) ! ALK1+OH=xCCHO+RO2C+xHO2+yROOH\n & + 4.4500D-01 * RXRAT( 553 ) ! ALK3+OH=0.4450D+00*xCCHO+...\n & + 4.3800D-01 * RXRAT( 554 ) ! ALK4+OH=0.4380D+00*xCCHO+...\n & + 1.0600D-01 * RXRAT( 555 ) ! ALK5+OH=0.1060D+00*xCCHO+...\n & + 1.0000D-02 * RXRAT( 557 ) ! OLE1+OH=0.1000D-01*xCCHO+...\n & + 1.1000D-02 * RXRAT( 558 ) ! OLE1+O3=0.1100D-01*xCCHO+...\n & + 1.3000D-02 * RXRAT( 559 ) ! OLE1+NO3=0.1300D-01*xCCHO+...\n & + 8.3500D-01 * RXRAT( 561 ) ! OLE2+OH=0.8350D+00*xCCHO+...\n & + 7.1000D-02 * RXRAT( 562 ) ! OLE2+O3=0.7100D-01*xCCHO+...\n & + 5.7900D-01 * RXRAT( 563 ) ! OLE2+NO3=0.5790D+00*xCCHO+...\n & + RXRAT( 578 ) ! TERPNRO2+RCO3=xCCHO+...\n & + 2.0000D-03 * RXRAT( 585 ) ! SESQ+NO3=0.2000D-02*xCCHO+...\n & + 1.0000D-01 * RXRAT( 612 ) ! RCHO+CL=0.1000D+00*xCCHO+...\n & + 7.0000D-02 * RXRAT( 614 ) ! MEK+CL=0.7000D-01*xCCHO+...\n & + 3.0000D-01 * RXRAT( 615 ) ! RNO3+CL=0.3000D+00*xCCHO+...\n & + 1.0900D-01 * RXRAT( 616 ) ! PRD2+CL=0.1090D+00*xCCHO+...\n & + 1.0400D-01 * RXRAT( 621 ) ! ROOH+CL=0.1040D+00*xCCHO+...\n & + 1.8600D-01 * RXRAT( 622 ) ! R6OOH+CL=0.1860D+00*xCCHO+...\n & + RXRAT( 674 ) ! ALK1+CL=xCCHO+xHO2+RO2C+...\n & + 3.4000D-01 * RXRAT( 676 ) ! ALK3+CL=0.3400D+00*xCCHO+...\n & + 2.8700D-01 * RXRAT( 677 ) ! ALK4+CL=0.2870D+00*xCCHO+...\n & + 8.0000D-02 * RXRAT( 678 ) ! ALK5+CL=0.8000D-01*xCCHO+...\n & + 2.0600D-01 * RXRAT( 679 ) ! OLE1+CL=0.2060D+00*xCCHO+...\n & + 3.8300D-01 * RXRAT( 680 ) ! OLE2+CL=0.3830D+00*xCCHO+...\n & + RXRAT( 792 ) ! MACO3+RCO3=xCCHO+0.2000D+...\n & + RXRAT( 834 ) ! IMACO3+RCO3=xCCHO+0.2000D+...\n & + 3.0000D-01 * RXRAT( 881 ) ! MTNO3+CL=0.3000D+00*xCCHO+...\n & + 4.2900D-01 * RXRAT( 882 ) ! MTNO3+OH=0.4290D+00*xCCHO+...\n & + 2.3000D-01 * RXRAT( 883 ) ! MTNO3=0.2300D+00*xCCHO+...\n LOSS( xCCHO ) = RXRAT( 281 ) ! xCCHO+NO=NO+CCHO\n & + RXRAT( 282 ) ! xCCHO+HO2=HO2\n & + RXRAT( 283 ) ! xCCHO+NO3=NO3+CCHO\n & + RXRAT( 284 ) ! xCCHO+MEO2=MEO2+0.5000D+...\n & + RXRAT( 285 ) ! xCCHO+RO2C=RO2C+0.5000D+...\n & + RXRAT( 286 ) ! xCCHO+RO2XC=RO2XC+0.5000D+...\n & + RXRAT( 287 ) ! xCCHO+MECO3=MECO3+CCHO\n & + RXRAT( 288 ) ! xCCHO+RCO3=RCO3+CCHO\n & + RXRAT( 289 ) ! xCCHO+BZCO3=BZCO3+CCHO\n & + RXRAT( 290 ) ! xCCHO+MACO3=MACO3+CCHO\n & + RXRAT( 872 ) ! xCCHO+IMACO3=IMACO3+CCHO\n\n PROD( RCOOOH ) = 3.0750D-01 * RXRAT( 77 ) ! RCO3+HO2=0.3075D+00*RCOOOH+...\n & + 3.0750D-01 * RXRAT( 88 ) ! BZCO3+HO2=0.3075D+...\n & + 7.5000D-01 * RXRAT( 752 ) ! NIT1NO3OOA+HO2=0.7500D+...\n & + 3.0750D-01 * RXRAT( 786 ) ! MACO3+HO2=0.3075D+...\n LOSS( RCOOOH ) = RXRAT( 266 ) ! RCOOOH+OH=0.8060D+00*RCO3+...\n & + RXRAT( 267 ) ! RCOOOH=xHO2+xCCHO+yROOH+CO2+OH\n\n PROD( RCOOH ) = 1.0250D-01 * RXRAT( 77 ) ! RCO3+HO2=0.1025D+00*RCOOH+...\n & + 1.0250D-01 * RXRAT( 88 ) ! BZCO3+HO2=0.1025D+00*RCOOH+...\n & + 3.7200D-01 * RXRAT( 250 ) ! IPRD+O3=0.3720D+00*RCOOH+...\n & + 1.5900D-01 * RXRAT( 558 ) ! OLE1+O3=0.1590D+00*RCOOH+...\n & + 2.3500D-01 * RXRAT( 562 ) ! OLE2+O3=0.2350D+00*RCOOH+...\n & + 6.8000D-02 * RXRAT( 569 ) ! TERP+O3=0.6800D-01*RCOOH+...\n & + 6.8000D-02 * RXRAT( 584 ) ! SESQ+O3=0.6800D-01*RCOOH+...\n & + 1.7000D-01 * RXRAT( 728 ) ! HC5OO+NO=0.1700D+00*RCOOH+...\n & + 8.5000D-02 * RXRAT( 730 ) ! HC5OO+MEO2=0.8500D-...\n & + 8.5000D-02 * RXRAT( 731 ) ! HC5OO+RO2C=0.8500D-...\n & + 1.7000D-01 * RXRAT( 732 ) ! HC5OO+MECO3=0.1700D+...\n & + 1.3000D-01 * RXRAT( 733 ) ! HC5+O3=0.1300D+00*RCOOH+...\n & + 1.2000D-01 * RXRAT( 740 ) ! ISOPND+O3=0.1200D+00*RCOOH+...\n & + 2.5000D-01 * RXRAT( 752 ) ! NIT1NO3OOA+HO2=0.2500D+...\n & + 1.0250D-01 * RXRAT( 786 ) ! MACO3+HO2=0.1025D+00*RCOOH+...\n & + 2.5000D-01 * RXRAT( 828 ) ! IMACO3+HO2=0.2500D+...\n LOSS( RCOOH ) = RXRAT( 211 ) ! RCOOH+OH=RO2C+xHO2+0.1430D+...\n\n PROD( BZCO3 ) = RXRAT( 85 ) ! PBZN=BZCO3+NO2\n & + 6.0000D-01 * RXRAT( 86 ) ! PBZN=0.6000D+00*BZCO3+...\n & + RXRAT( 233 ) ! BALD+OH=BZCO3\n & + RXRAT( 235 ) ! BALD+NO3=BZCO3+HNO3\n & + RXRAT( 620 ) ! BALD+CL=BZCO3+HCL\n LOSS( BZCO3 ) = RXRAT( 84 ) ! BZCO3+NO2=PBZN\n & + RXRAT( 87 ) ! BZCO3+NO=NO2+CO2+BZO+RO2C\n & + RXRAT( 88 ) ! BZCO3+HO2=0.3075D+...\n & + RXRAT( 89 ) ! BZCO3+NO3=NO2+CO2+BZO+RO2C\n & + RXRAT( 90 ) ! BZCO3+MEO2=HCHO+HO2+RO2C+...\n & + RXRAT( 91 ) ! BZCO3+RO2C=RO2C+BZO+CO2\n & + RXRAT( 92 ) ! BZCO3+RO2XC=RO2C+BZO+CO2\n & + RXRAT( 93 ) ! BZCO3+MECO3=0.2000D+01*CO2+...\n & + RXRAT( 94 ) ! BZCO3+RCO3=0.2000D+01*CO2+...\n & + 2.0000D+00 * RXRAT( 95 ) ! BZCO3+BZCO3=0.2000D+01*BZO+...\n & + RXRAT( 579 ) ! BZCO3+TERPNRO2=0.5310D+...\n & + RXRAT( 793 ) ! BZCO3+MACO3=CO+0.2000D+...\n & + RXRAT( 835 ) ! BZCO3+IMACO3=CO+0.2000D+...\n\n PROD( PBZN ) = RXRAT( 84 ) ! BZCO3+NO2=PBZN\n LOSS( PBZN ) = RXRAT( 85 ) ! PBZN=BZCO3+NO2\n & + RXRAT( 86 ) ! PBZN=0.6000D+00*BZCO3+...\n\n PROD( BZO ) = 4.0000D-01 * RXRAT( 86 ) ! PBZN=0.4000D+00*BZO+...\n & + RXRAT( 87 ) ! BZCO3+NO=BZO+CO2+NO2+RO2C\n & + 4.4000D-01 * RXRAT( 88 ) ! BZCO3+HO2=0.4400D+00*BZO+...\n & + RXRAT( 89 ) ! BZCO3+NO3=BZO+CO2+NO2+RO2C\n & + RXRAT( 90 ) ! BZCO3+MEO2=BZO+HO2+RO2C+...\n & + RXRAT( 91 ) ! BZCO3+RO2C=BZO+RO2C+CO2\n & + RXRAT( 92 ) ! BZCO3+RO2XC=BZO+RO2C+CO2\n & + RXRAT( 93 ) ! BZCO3+MECO3=BZO+MEO2+...\n & + RXRAT( 94 ) ! BZCO3+RCO3=BZO+0.2000D+...\n & + 2.0000D+00 * RXRAT( 95 ) ! BZCO3+BZCO3=0.2000D+01*BZO+...\n & + 2.0000D-01 * RXRAT( 228 ) ! CRES+OH=0.2000D+00*BZO+...\n & + RXRAT( 229 ) ! CRES+NO3=BZO+HNO3\n & + RXRAT( 230 ) ! NPHE+OH=BZO\n & + RXRAT( 579 ) ! TERPNRO2+BZCO3=BZO+0.4220D+...\n & + RXRAT( 793 ) ! MACO3+BZCO3=BZO+0.2000D+...\n & + RXRAT( 835 ) ! IMACO3+BZCO3=BZO+0.2000D+...\n LOSS( BZO ) = RXRAT( 101 ) ! BZO+NO2=NPHE\n & + RXRAT( 102 ) ! BZO+HO2=CRES\n & + RXRAT( 103 ) ! BZO=CRES+RO2C+xHO2\n\n PROD( MACO3 ) = RXRAT( 97 ) ! MAPAN=MACO3+NO2\n & + 6.0000D-01 * RXRAT( 98 ) ! MAPAN=0.6000D+00*MACO3+...\n & + RXRAT( 164 ) ! xMACO3+NO=MACO3+NO\n & + RXRAT( 166 ) ! xMACO3+NO3=MACO3+NO3\n & + 5.0000D-01 * RXRAT( 167 ) ! xMACO3+MEO2=0.5000D+...\n & + 5.0000D-01 * RXRAT( 168 ) ! xMACO3+RO2C=0.5000D+...\n & + 5.0000D-01 * RXRAT( 169 ) ! xMACO3+RO2XC=0.5000D+...\n & + RXRAT( 170 ) ! xMACO3+MECO3=MACO3+MECO3\n & + RXRAT( 171 ) ! xMACO3+RCO3=MACO3+RCO3\n & + RXRAT( 172 ) ! xMACO3+BZCO3=MACO3+BZCO3\n & + RXRAT( 173 ) ! xMACO3+MACO3=0.2000D+01*MACO3\n & + 2.1700D-01 * RXRAT( 236 ) ! AFG1+OH=0.2170D+00*MACO3+...\n & + 5.0000D-01 * RXRAT( 238 ) ! AFG1=0.5000D+00*MACO3+...\n & + 2.1700D-01 * RXRAT( 239 ) ! AFG2+OH=0.2170D+00*MACO3+...\n & + 2.0600D-01 * RXRAT( 242 ) ! AFG3+OH=0.2060D+00*MACO3+...\n & + 4.0000D-01 * RXRAT( 248 ) ! MVK=0.4000D+00*MACO3+...\n & + 2.8900D-01 * RXRAT( 249 ) ! IPRD+OH=0.2890D+00*MACO3+...\n & + 1.5000D-01 * RXRAT( 251 ) ! IPRD+NO3=0.1500D+00*MACO3+...\n & + 7.5000D-01 * RXRAT( 259 ) ! ACROLEIN+OH=0.7500D+...\n & + 9.6700D-01 * RXRAT( 261 ) ! ACROLEIN+NO3=0.9670D+...\n & + 3.3000D-01 * RXRAT( 263 ) ! ACROLEIN=0.3300D+00*MACO3+...\n & + RXRAT( 451 ) ! xMTNO3+IMACO3=MACO3+MTNO3\n & + 2.1600D-01 * RXRAT( 624 ) ! ACROLEIN+CL=0.2160D+...\n & + 1.5400D-01 * RXRAT( 626 ) ! IPRD+CL=0.1540D+00*MACO3+...\n & + RXRAT( 844 ) ! xMACO3+IMACO3=MACO3+IMACO3\n LOSS( MACO3 ) = RXRAT( 96 ) ! MACO3+NO2=MAPAN\n & + RXRAT( 580 ) ! MACO3+TERPNRO2=CO2+0.1043D+...\n & + RXRAT( 785 ) ! MACO3+NO=NO2+CO+CO2+HCHO+MEO2\n & + RXRAT( 786 ) ! MACO3+HO2=0.3075D+...\n & + RXRAT( 787 ) ! MACO3+NO3=NO2+CO+CO2+HCHO+MEO2\n & + RXRAT( 788 ) ! MACO3+MEO2=0.2000D+01*HCHO+...\n & + RXRAT( 789 ) ! MACO3+RO2C=CO+CO2+HCHO+MEO2\n & + RXRAT( 790 ) ! MACO3+RO2XC=CO+CO2+HCHO+MEO2\n & + RXRAT( 791 ) ! MACO3+MECO3=0.2000D+01*CO2+...\n & + RXRAT( 792 ) ! MACO3+RCO3=CO+0.2000D+...\n & + RXRAT( 793 ) ! MACO3+BZCO3=CO+0.2000D+...\n & + 2.0000D+00 * RXRAT( 794 ) ! MACO3+MACO3=0.2000D+01*CO+...\n & + RXRAT( 836 ) ! MACO3+IMACO3=0.2000D+01*CO+...\n\n PROD( MAPAN ) = RXRAT( 96 ) ! MACO3+NO2=MAPAN\n & + RXRAT( 751 ) ! NIT1NO3OOA+NO2=MAPAN\n LOSS( MAPAN ) = RXRAT( 97 ) ! MAPAN=MACO3+NO2\n & + RXRAT( 98 ) ! MAPAN=0.6000D+00*MACO3+...\n & + RXRAT( 795 ) ! MAPAN+OH=HACET+CO+NO2\n\n PROD( TBUO ) = RXRAT( 174 ) ! xTBUO+NO=TBUO+NO\n & + RXRAT( 176 ) ! xTBUO+NO3=TBUO+NO3\n & + 5.0000D-01 * RXRAT( 177 ) ! xTBUO+MEO2=0.5000D+00*TBUO+...\n & + 5.0000D-01 * RXRAT( 178 ) ! xTBUO+RO2C=0.5000D+00*TBUO+...\n & + 5.0000D-01 * RXRAT( 179 ) ! xTBUO+RO2XC=0.5000D+...\n & + RXRAT( 180 ) ! xTBUO+MECO3=TBUO+MECO3\n & + RXRAT( 181 ) ! xTBUO+RCO3=TBUO+RCO3\n & + RXRAT( 182 ) ! xTBUO+BZCO3=TBUO+BZCO3\n & + RXRAT( 183 ) ! xTBUO+MACO3=TBUO+MACO3\n & + RXRAT( 843 ) ! xTBUO+IMACO3=TBUO+IMACO3\n LOSS( TBUO ) = RXRAT( 99 ) ! TBUO+NO2=RNO3\n & + RXRAT( 100 ) ! TBUO=ACETONE+MEO2\n\n PROD( RNO3 ) = RXRAT( 99 ) ! TBUO+NO2=RNO3\n & + RXRAT( 431 ) ! xRNO3+NO=RNO3+NO\n & + RXRAT( 433 ) ! xRNO3+NO3=RNO3+NO3\n & + 5.0000D-01 * RXRAT( 434 ) ! xRNO3+MEO2=0.5000D+00*RNO3+...\n & + 5.0000D-01 * RXRAT( 435 ) ! xRNO3+RO2C=0.5000D+00*RNO3+...\n & + 5.0000D-01 * RXRAT( 436 ) ! xRNO3+RO2XC=0.5000D+...\n & + RXRAT( 437 ) ! xRNO3+MECO3=RNO3+MECO3\n & + RXRAT( 438 ) ! xRNO3+RCO3=RNO3+RCO3\n & + RXRAT( 439 ) ! xRNO3+BZCO3=RNO3+BZCO3\n & + RXRAT( 440 ) ! xRNO3+MACO3=RNO3+MACO3\n & + RXRAT( 482 ) ! zRNO3+NO=RNO3+NO\n & + RXRAT( 857 ) ! xRNO3+IMACO3=RNO3+IMACO3\n LOSS( RNO3 ) = 8.1100D-01 * RXRAT( 255 ) ! RNO3+OH=0.1890D+00*RNO3+...\n & + RXRAT( 256 ) ! RNO3=0.3440D+00*HO2+...\n & + 9.4500D-01 * RXRAT( 615 ) ! RNO3+CL=0.5500D-01*RNO3+...\n\n PROD( ACETONE ) = RXRAT( 100 ) ! TBUO=ACETONE+MEO2\n & + RXRAT( 301 ) ! xACETONE+NO=ACETONE+NO\n & + RXRAT( 303 ) ! xACETONE+NO3=ACETONE+NO3\n & + 5.0000D-01 * RXRAT( 304 ) ! xACETONE+MEO2=0.5000D+...\n & + 5.0000D-01 * RXRAT( 305 ) ! xACETONE+RO2C=0.5000D+...\n & + 5.0000D-01 * RXRAT( 306 ) ! xACETONE+RO2XC=0.5000D+...\n & + RXRAT( 307 ) ! xACETONE+MECO3=ACETONE+MECO3\n & + RXRAT( 308 ) ! xACETONE+RCO3=ACETONE+RCO3\n & + RXRAT( 309 ) ! xACETONE+BZCO3=ACETONE+BZCO3\n & + RXRAT( 310 ) ! xACETONE+MACO3=ACETONE+MACO3\n & + 5.1000D-02 * RXRAT( 562 ) ! OLE2+O3=0.5100D-01*ACETONE+...\n & + 2.3900D-01 * RXRAT( 571 ) ! TERPNRO2+NO=0.2390D+...\n & + 4.4300D-01 * RXRAT( 573 ) ! TERPNRO2+NO3=0.4430D+...\n & + 2.2200D-01 * RXRAT( 574 ) ! TERPNRO2+MEO2=0.2220D+...\n & + 2.2200D-01 * RXRAT( 575 ) ! TERPNRO2+RO2C=0.2220D+...\n & + 2.2200D-01 * RXRAT( 576 ) ! TERPNRO2+RO2XC=0.2220D+...\n & + 4.4300D-01 * RXRAT( 577 ) ! TERPNRO2+MECO3=0.4430D+...\n & + 4.4300D-01 * RXRAT( 578 ) ! TERPNRO2+RCO3=0.4430D+...\n & + 4.4300D-01 * RXRAT( 579 ) ! TERPNRO2+BZCO3=0.4430D+...\n & + 4.4300D-01 * RXRAT( 580 ) ! TERPNRO2+MACO3=0.4430D+...\n & + 4.4300D-01 * RXRAT( 581 ) ! TERPNRO2+IMACO3=0.4430D+...\n & + RXRAT( 870 ) ! xACETONE+IMACO3=ACETONE+IMACO3\n LOSS( ACETONE ) = RXRAT( 204 ) ! ACETONE+OH=RO2C+xMECO3+...\n & + RXRAT( 205 ) ! ACETONE=0.6200D+00*MECO3+...\n & + RXRAT( 613 ) ! ACETONE+CL=HCL+RO2C+xHCHO+...\n\n PROD( NPHE ) = RXRAT( 101 ) ! BZO+NO2=NPHE\n LOSS( NPHE ) = RXRAT( 230 ) ! NPHE+OH=BZO\n & + RXRAT( 231 ) ! NPHE=HONO\n & + RXRAT( 232 ) ! NPHE=\n\n PROD( CRES ) = RXRAT( 102 ) ! BZO+HO2=CRES\n & + RXRAT( 103 ) ! BZO=CRES+RO2C+xHO2\n & + 5.7000D-01 * RXRAT( 544 ) ! BENZENE+OH=0.5700D+00*CRES+...\n & + 1.8100D-01 * RXRAT( 545 ) ! TOLUENE+OH=0.1810D+00*CRES+...\n & + 1.5900D-01 * RXRAT( 546 ) ! MXYL+OH=0.1590D+00*CRES+...\n & + 1.6100D-01 * RXRAT( 547 ) ! OXYL+OH=0.1610D+00*CRES+...\n & + 1.5900D-01 * RXRAT( 548 ) ! PXYL+OH=0.1590D+00*CRES+...\n & + 2.2000D-02 * RXRAT( 549 ) ! TMBENZ124+OH=0.2200D-...\n & + 1.2300D-01 * RXRAT( 565 ) ! ARO1+OH=0.1230D+00*CRES+...\n & + 7.7000D-02 * RXRAT( 566 ) ! ARO2MN+OH=0.7700D-01*CRES+...\n & + 7.7000D-02 * RXRAT( 567 ) ! NAPHTHAL+OH=0.7700D-...\n LOSS( CRES ) = RXRAT( 228 ) ! CRES+OH=0.2000D+00*BZO+...\n & + RXRAT( 229 ) ! CRES+NO3=HNO3+BZO\n & + RXRAT( 619 ) ! CRES+CL=HCL+xHO2+xBALD+yR6OOH\n\n PROD( xOH ) = 1.2000D-02 * RXRAT( 214 ) ! ROOH+OH=0.1200D-01*xOH+...\n & + 4.1000D-02 * RXRAT( 216 ) ! R6OOH+OH=0.4100D-01*xOH+...\n & + 2.4000D-02 * RXRAT( 218 ) ! RAOOH+OH=0.2400D-01*xOH+...\n & + 2.0000D-02 * RXRAT( 264 ) ! CCOOOH+OH=0.2000D-01*xOH+...\n & + 1.1000D-01 * RXRAT( 266 ) ! RCOOOH+OH=0.1100D+00*xOH+...\n & + 1.0400D-01 * RXRAT( 621 ) ! ROOH+CL=0.1040D+00*xOH+...\n & + 5.0200D-01 * RXRAT( 622 ) ! R6OOH+CL=0.5020D+00*xOH+...\n & + 2.4000D-02 * RXRAT( 623 ) ! RAOOH+CL=0.2400D-01*xOH+...\n LOSS( xOH ) = RXRAT( 114 ) ! xOH+NO=NO+OH\n & + RXRAT( 115 ) ! xOH+HO2=HO2\n & + RXRAT( 116 ) ! xOH+NO3=NO3+OH\n & + RXRAT( 117 ) ! xOH+MEO2=MEO2+0.5000D+00*OH\n & + RXRAT( 118 ) ! xOH+RO2C=RO2C+0.5000D+00*OH\n & + RXRAT( 119 ) ! xOH+RO2XC=RO2XC+0.5000D+00*OH\n & + RXRAT( 120 ) ! xOH+MECO3=MECO3+OH\n & + RXRAT( 121 ) ! xOH+RCO3=RCO3+OH\n & + RXRAT( 122 ) ! xOH+BZCO3=BZCO3+OH\n & + RXRAT( 123 ) ! xOH+MACO3=MACO3+OH\n & + RXRAT( 849 ) ! xOH+IMACO3=IMACO3+OH\n\n PROD( xNO2 ) = 3.1300D-01 * RXRAT( 255 ) ! RNO3+OH=0.3130D+00*xNO2+...\n & + 1.2000D-01 * RXRAT( 534 ) ! BUTADIENE13+NO3=0.1200D+...\n & + 6.4300D-01 * RXRAT( 540 ) ! APIN+NO3=0.6430D+00*xNO2+...\n & + 4.2600D-01 * RXRAT( 563 ) ! OLE2+NO3=0.4260D+00*xNO2+...\n & + 2.8700D-01 * RXRAT( 585 ) ! SESQ+NO3=0.2870D+00*xNO2+...\n & + 1.5900D-01 * RXRAT( 615 ) ! RNO3+CL=0.1590D+00*xNO2+...\n & + 1.5900D-01 * RXRAT( 881 ) ! MTNO3+CL=0.1590D+00*xNO2+...\n & + 3.1300D-01 * RXRAT( 882 ) ! MTNO3+OH=0.3130D+00*xNO2+...\n LOSS( xNO2 ) = RXRAT( 124 ) ! xNO2+NO=NO+NO2\n & + RXRAT( 125 ) ! xNO2+HO2=HO2\n & + RXRAT( 126 ) ! xNO2+NO3=NO3+NO2\n & + RXRAT( 127 ) ! xNO2+MEO2=MEO2+0.5000D+00*NO2\n & + RXRAT( 128 ) ! xNO2+RO2C=RO2C+0.5000D+00*NO2\n & + RXRAT( 129 ) ! xNO2+RO2XC=RO2XC+0.5000D+...\n & + RXRAT( 130 ) ! xNO2+MECO3=MECO3+NO2\n & + RXRAT( 131 ) ! xNO2+RCO3=RCO3+NO2\n & + RXRAT( 132 ) ! xNO2+BZCO3=BZCO3+NO2\n & + RXRAT( 133 ) ! xNO2+MACO3=MACO3+NO2\n & + RXRAT( 848 ) ! xNO2+IMACO3=IMACO3+NO2\n\n PROD( xMEO2 ) = 1.0000D-02 * RXRAT( 554 ) ! ALK4+OH=0.1000D-01*xMEO2+...\n & + 1.0000D-03 * RXRAT( 557 ) ! OLE1+OH=0.1000D-02*xMEO2+...\n & + 3.5000D-02 * RXRAT( 563 ) ! OLE2+NO3=0.3500D-01*xMEO2+...\n & + 3.0000D-03 * RXRAT( 677 ) ! ALK4+CL=0.3000D-02*xMEO2+...\n & + 1.0000D-03 * RXRAT( 680 ) ! OLE2+CL=0.1000D-02*xMEO2+...\n LOSS( xMEO2 ) = RXRAT( 134 ) ! xMEO2+NO=NO+MEO2\n & + RXRAT( 135 ) ! xMEO2+HO2=HO2\n & + RXRAT( 136 ) ! xMEO2+NO3=NO3+MEO2\n & + RXRAT( 137 ) ! xMEO2+MEO2=0.1500D+01*MEO2\n & + RXRAT( 138 ) ! xMEO2+RO2C=RO2C+0.5000D+...\n & + RXRAT( 139 ) ! xMEO2+RO2XC=RO2XC+0.5000D+...\n & + RXRAT( 140 ) ! xMEO2+MECO3=MECO3+MEO2\n & + RXRAT( 141 ) ! xMEO2+RCO3=RCO3+MEO2\n & + RXRAT( 142 ) ! xMEO2+BZCO3=BZCO3+MEO2\n & + RXRAT( 143 ) ! xMEO2+MACO3=MACO3+MEO2\n & + RXRAT( 847 ) ! xMEO2+IMACO3=IMACO3+MEO2\n\n PROD( xMECO3 ) = RXRAT( 204 ) ! ACETONE+OH=xMECO3+RO2C+...\n & + 5.1000D-01 * RXRAT( 206 ) ! MEK+OH=0.5100D+00*xMECO3+...\n & + 2.0100D-01 * RXRAT( 236 ) ! AFG1+OH=0.2010D+00*xMECO3+...\n & + 2.0100D-01 * RXRAT( 239 ) ! AFG2+OH=0.2010D+00*xMECO3+...\n & + 1.1700D-01 * RXRAT( 242 ) ! AFG3+OH=0.1170D+00*xMECO3+...\n & + 2.9000D-02 * RXRAT( 253 ) ! PRD2+OH=0.2900D-01*xMECO3+...\n & + 1.0000D-03 * RXRAT( 539 ) ! APIN+O3=0.1000D-02*xMECO3+...\n & + 1.1000D-02 * RXRAT( 554 ) ! ALK4+OH=0.1100D-01*xMECO3+...\n & + 1.5600D-01 * RXRAT( 562 ) ! OLE2+O3=0.1560D+00*xMECO3+...\n & + 2.0200D-01 * RXRAT( 569 ) ! TERP+O3=0.2020D+00*xMECO3+...\n & + 2.0200D-01 * RXRAT( 584 ) ! SESQ+O3=0.2020D+00*xMECO3+...\n & + RXRAT( 613 ) ! ACETONE+CL=xMECO3+RO2C+...\n & + 8.5000D-02 * RXRAT( 614 ) ! MEK+CL=0.8500D-01*xMECO3+...\n & + 7.0000D-03 * RXRAT( 616 ) ! PRD2+CL=0.7000D-02*xMECO3+...\n & + 6.2500D-01 * RXRAT( 625 ) ! MVK+CL=0.6250D+00*xMECO3+...\n & + 3.4000D-02 * RXRAT( 666 ) ! APIN+CL=0.3400D-01*xMECO3+...\n & + 4.0000D-03 * RXRAT( 677 ) ! ALK4+CL=0.4000D-02*xMECO3+...\n & + 3.4000D-02 * RXRAT( 684 ) ! TERP+CL=0.3400D-01*xMECO3+...\n & + 3.4000D-02 * RXRAT( 685 ) ! SESQ+CL=0.3400D-01*xMECO3+...\n & + 3.3000D-01 * RXRAT( 825 ) ! MACR=0.3300D+00*xMECO3+...\n LOSS( xMECO3 ) = RXRAT( 144 ) ! xMECO3+NO=NO+MECO3\n & + RXRAT( 145 ) ! xMECO3+HO2=HO2\n & + RXRAT( 146 ) ! xMECO3+NO3=NO3+MECO3\n & + RXRAT( 147 ) ! xMECO3+MEO2=MEO2+0.5000D+...\n & + RXRAT( 148 ) ! xMECO3+RO2C=RO2C+0.5000D+...\n & + RXRAT( 149 ) ! xMECO3+RO2XC=RO2XC+0.5000D+...\n & + RXRAT( 150 ) ! xMECO3+MECO3=0.2000D+01*MECO3\n & + RXRAT( 151 ) ! xMECO3+RCO3=RCO3+MECO3\n & + RXRAT( 152 ) ! xMECO3+BZCO3=BZCO3+MECO3\n & + RXRAT( 153 ) ! xMECO3+MACO3=MACO3+MECO3\n & + RXRAT( 846 ) ! xMECO3+IMACO3=IMACO3+MECO3\n\n PROD( xRCO3 ) = 7.4000D-02 * RXRAT( 206 ) ! MEK+OH=0.7400D-01*xRCO3+...\n & + 6.5200D-01 * RXRAT( 237 ) ! AFG1+O3=0.6520D+00*xRCO3+...\n & + 6.5200D-01 * RXRAT( 240 ) ! AFG2+O3=0.6520D+00*xRCO3+...\n & + 1.6300D-01 * RXRAT( 243 ) ! AFG3+O3=0.1630D+00*xRCO3+...\n & + 1.0000D-01 * RXRAT( 244 ) ! MACR+O3=0.1000D+00*xRCO3+...\n & + 5.0000D-02 * RXRAT( 246 ) ! MVK+O3=0.5000D-01*xRCO3+...\n & + 4.8000D-02 * RXRAT( 250 ) ! IPRD+O3=0.4800D-01*xRCO3+...\n & + 4.9000D-02 * RXRAT( 253 ) ! PRD2+OH=0.4900D-01*xRCO3+...\n & + 4.0000D-03 * RXRAT( 538 ) ! APIN+OH=0.4000D-02*xRCO3+...\n & + 2.9700D-01 * RXRAT( 539 ) ! APIN+O3=0.2970D+00*xRCO3+...\n & + 7.0000D-03 * RXRAT( 540 ) ! APIN+NO3=0.7000D-02*xRCO3+...\n & + 8.0000D-03 * RXRAT( 562 ) ! OLE2+O3=0.8000D-02*xRCO3+...\n & + 6.4000D-02 * RXRAT( 568 ) ! TERP+OH=0.6400D-01*xRCO3+...\n & + 5.9000D-02 * RXRAT( 569 ) ! TERP+O3=0.5900D-01*xRCO3+...\n & + 6.4000D-02 * RXRAT( 583 ) ! SESQ+OH=0.6400D-01*xRCO3+...\n & + 5.9000D-02 * RXRAT( 584 ) ! SESQ+O3=0.5900D-01*xRCO3+...\n & + 2.6000D-02 * RXRAT( 585 ) ! SESQ+NO3=0.2600D-01*xRCO3+...\n & + 3.6000D-02 * RXRAT( 614 ) ! MEK+CL=0.3600D-01*xRCO3+...\n & + 2.2000D-02 * RXRAT( 616 ) ! PRD2+CL=0.2200D-01*xRCO3+...\n & + 5.0000D-02 * RXRAT( 666 ) ! APIN+CL=0.5000D-01*xRCO3+...\n & + 5.0000D-02 * RXRAT( 684 ) ! TERP+CL=0.5000D-01*xRCO3+...\n & + 5.0000D-02 * RXRAT( 685 ) ! SESQ+CL=0.5000D-01*xRCO3+...\n LOSS( xRCO3 ) = RXRAT( 154 ) ! xRCO3+NO=NO+RCO3\n & + RXRAT( 155 ) ! xRCO3+HO2=HO2\n & + RXRAT( 156 ) ! xRCO3+NO3=NO3+RCO3\n & + RXRAT( 157 ) ! xRCO3+MEO2=MEO2+0.5000D+...\n & + RXRAT( 158 ) ! xRCO3+RO2C=RO2C+0.5000D+...\n & + RXRAT( 159 ) ! xRCO3+RO2XC=RO2XC+0.5000D+...\n & + RXRAT( 160 ) ! xRCO3+MECO3=MECO3+RCO3\n & + RXRAT( 161 ) ! xRCO3+RCO3=0.2000D+01*RCO3\n & + RXRAT( 162 ) ! xRCO3+BZCO3=BZCO3+RCO3\n & + RXRAT( 163 ) ! xRCO3+MACO3=MACO3+RCO3\n & + RXRAT( 845 ) ! xRCO3+IMACO3=IMACO3+RCO3\n\n PROD( xMACO3 ) = 1.1800D-01 * RXRAT( 535 ) ! BUTADIENE13+O3P=0.1180D+...\n & + 1.9200D-01 * RXRAT( 536 ) ! ISOPRENE+O3=0.1920D+...\n & + 2.4000D-01 * RXRAT( 537 ) ! ISOPRENE+O3P=0.2400D+...\n & + 1.6000D-02 * RXRAT( 666 ) ! APIN+CL=0.1600D-01*xMACO3+...\n & + 1.6000D-02 * RXRAT( 684 ) ! TERP+CL=0.1600D-01*xMACO3+...\n & + 1.6000D-02 * RXRAT( 685 ) ! SESQ+CL=0.1600D-01*xMACO3+...\n LOSS( xMACO3 ) = RXRAT( 164 ) ! xMACO3+NO=NO+MACO3\n & + RXRAT( 165 ) ! xMACO3+HO2=HO2\n & + RXRAT( 166 ) ! xMACO3+NO3=NO3+MACO3\n & + RXRAT( 167 ) ! xMACO3+MEO2=MEO2+0.5000D+...\n & + RXRAT( 168 ) ! xMACO3+RO2C=RO2C+0.5000D+...\n & + RXRAT( 169 ) ! xMACO3+RO2XC=RO2XC+0.5000D+...\n & + RXRAT( 170 ) ! xMACO3+MECO3=MECO3+MACO3\n & + RXRAT( 171 ) ! xMACO3+RCO3=RCO3+MACO3\n & + RXRAT( 172 ) ! xMACO3+BZCO3=BZCO3+MACO3\n & + RXRAT( 173 ) ! xMACO3+MACO3=0.2000D+01*MACO3\n & + RXRAT( 844 ) ! xMACO3+IMACO3=IMACO3+MACO3\n\n PROD( xTBUO ) = 2.3600D-01 * RXRAT( 553 ) ! ALK3+OH=0.2360D+00*xTBUO+...\n & + 9.4000D-02 * RXRAT( 676 ) ! ALK3+CL=0.9400D-01*xTBUO+...\n LOSS( xTBUO ) = RXRAT( 174 ) ! xTBUO+NO=NO+TBUO\n & + RXRAT( 175 ) ! xTBUO+HO2=HO2\n & + RXRAT( 176 ) ! xTBUO+NO3=NO3+TBUO\n & + RXRAT( 177 ) ! xTBUO+MEO2=MEO2+0.5000D+...\n & + RXRAT( 178 ) ! xTBUO+RO2C=RO2C+0.5000D+...\n & + RXRAT( 179 ) ! xTBUO+RO2XC=RO2XC+0.5000D+...\n & + RXRAT( 180 ) ! xTBUO+MECO3=MECO3+TBUO\n & + RXRAT( 181 ) ! xTBUO+RCO3=RCO3+TBUO\n & + RXRAT( 182 ) ! xTBUO+BZCO3=BZCO3+TBUO\n & + RXRAT( 183 ) ! xTBUO+MACO3=MACO3+TBUO\n & + RXRAT( 843 ) ! xTBUO+IMACO3=IMACO3+TBUO\n\n PROD( xCO ) = 3.5000D-02 * RXRAT( 201 ) ! RCHO+OH=0.3500D-01*xCO+...\n & + 3.3400D-01 * RXRAT( 236 ) ! AFG1+OH=0.3340D+00*xCO+...\n & + 3.3400D-01 * RXRAT( 239 ) ! AFG2+OH=0.3340D+00*xCO+...\n & + 1.1400D-01 * RXRAT( 242 ) ! AFG3+OH=0.1140D+00*xCO+...\n & + 3.3600D-01 * RXRAT( 249 ) ! IPRD+OH=0.3360D+00*xCO+...\n & + 5.7200D-01 * RXRAT( 251 ) ! IPRD+NO3=0.5720D+00*xCO+...\n & + 1.6700D-01 * RXRAT( 259 ) ! ACROLEIN+OH=0.1670D+00*xCO+...\n & + 3.1000D-02 * RXRAT( 261 ) ! ACROLEIN+NO3=0.3100D-...\n & + 2.7800D-01 * RXRAT( 527 ) ! ETHENE+O3P=0.2780D+00*xCO+...\n & + 1.1500D-01 * RXRAT( 535 ) ! BUTADIENE13+O3P=0.1150D+...\n & + 2.0000D-03 * RXRAT( 538 ) ! APIN+OH=0.2000D-02*xCO+...\n & + 5.1000D-02 * RXRAT( 539 ) ! APIN+O3=0.5100D-01*xCO+...\n & + 5.0000D-03 * RXRAT( 540 ) ! APIN+NO3=0.5000D-02*xCO+...\n & + 2.0000D-03 * RXRAT( 554 ) ! ALK4+OH=0.2000D-02*xCO+...\n & + 1.0000D-03 * RXRAT( 568 ) ! TERP+OH=0.1000D-02*xCO+...\n & + 1.0000D-03 * RXRAT( 583 ) ! SESQ+OH=0.1000D-02*xCO+...\n & + 1.2000D-02 * RXRAT( 585 ) ! SESQ+NO3=0.1200D-01*xCO+...\n & + 1.0000D-01 * RXRAT( 612 ) ! RCHO+CL=0.1000D+00*xCO+...\n & + 4.8400D-01 * RXRAT( 624 ) ! ACROLEIN+CL=0.4840D+00*xCO+...\n & + 4.9800D-01 * RXRAT( 626 ) ! IPRD+CL=0.4980D+00*xCO+...\n & + 3.5000D-02 * RXRAT( 666 ) ! APIN+CL=0.3500D-01*xCO+...\n & + 3.0000D-03 * RXRAT( 677 ) ! ALK4+CL=0.3000D-02*xCO+...\n & + 3.5000D-02 * RXRAT( 684 ) ! TERP+CL=0.3500D-01*xCO+...\n & + 3.5000D-02 * RXRAT( 685 ) ! SESQ+CL=0.3500D-01*xCO+...\n & + 5.0000D-01 * RXRAT( 824 ) ! MACR+NO3=0.5000D+00*xCO+...\n & + 5.4100D-01 * RXRAT( 826 ) ! MACR+CL=0.5410D+00*xCO+...\n LOSS( xCO ) = RXRAT( 184 ) ! xCO+NO=NO+CO\n & + RXRAT( 185 ) ! xCO+HO2=HO2\n & + RXRAT( 186 ) ! xCO+NO3=NO3+CO\n & + RXRAT( 187 ) ! xCO+MEO2=MEO2+0.5000D+00*CO\n & + RXRAT( 188 ) ! xCO+RO2C=RO2C+0.5000D+00*CO\n & + RXRAT( 189 ) ! xCO+RO2XC=RO2XC+0.5000D+00*CO\n & + RXRAT( 190 ) ! xCO+MECO3=MECO3+CO\n & + RXRAT( 191 ) ! xCO+RCO3=RCO3+CO\n & + RXRAT( 192 ) ! xCO+BZCO3=BZCO3+CO\n & + RXRAT( 193 ) ! xCO+MACO3=MACO3+CO\n & + RXRAT( 842 ) ! xCO+IMACO3=IMACO3+CO\n\n PROD( CCHO ) = 1.0000D-03 * RXRAT( 253 ) ! PRD2+OH=0.1000D-02*CCHO+...\n & + 2.1400D-01 * RXRAT( 256 ) ! RNO3=0.2140D+00*CCHO+...\n & + RXRAT( 281 ) ! xCCHO+NO=CCHO+NO\n & + RXRAT( 283 ) ! xCCHO+NO3=CCHO+NO3\n & + 5.0000D-01 * RXRAT( 284 ) ! xCCHO+MEO2=0.5000D+00*CCHO+...\n & + 5.0000D-01 * RXRAT( 285 ) ! xCCHO+RO2C=0.5000D+00*CCHO+...\n & + 5.0000D-01 * RXRAT( 286 ) ! xCCHO+RO2XC=0.5000D+...\n & + RXRAT( 287 ) ! xCCHO+MECO3=CCHO+MECO3\n & + RXRAT( 288 ) ! xCCHO+RCO3=CCHO+RCO3\n & + RXRAT( 289 ) ! xCCHO+BZCO3=CCHO+BZCO3\n & + RXRAT( 290 ) ! xCCHO+MACO3=CCHO+MACO3\n & + 1.0000D-01 * RXRAT( 527 ) ! ETHENE+O3P=0.1000D+00*CCHO+...\n & + 5.0000D-01 * RXRAT( 529 ) ! PROPENE+O3=0.5000D+00*CCHO+...\n & + 9.5000D-01 * RXRAT( 550 ) ! ETOH+OH=0.9500D+00*CCHO+...\n & + 4.5300D-01 * RXRAT( 562 ) ! OLE2+O3=0.4530D+00*CCHO+...\n & + 6.8800D-01 * RXRAT( 673 ) ! ETOH+CL=0.6880D+00*CCHO+...\n & + RXRAT( 810 ) ! PYRUACD=CCHO+CO2\n & + RXRAT( 872 ) ! xCCHO+IMACO3=CCHO+IMACO3\n & + 2.1400D-01 * RXRAT( 883 ) ! MTNO3=0.2140D+00*CCHO+...\n LOSS( CCHO ) = RXRAT( 198 ) ! CCHO+OH=MECO3\n & + RXRAT( 199 ) ! CCHO=CO+HO2+MEO2\n & + RXRAT( 200 ) ! CCHO+NO3=HNO3+MECO3\n & + RXRAT( 610 ) ! CCHO+CL=HCL+MECO3\n\n PROD( RCHO ) = 7.4400D-01 * RXRAT( 214 ) ! ROOH+OH=0.7440D+00*RCHO+...\n & + RXRAT( 215 ) ! ROOH=RCHO+HO2+OH\n & + 8.5000D-02 * RXRAT( 217 ) ! R6OOH=0.8500D-01*RCHO+...\n & + RXRAT( 245 ) ! MACR+O3P=RCHO\n & + 4.5000D-01 * RXRAT( 247 ) ! MVK+O3P=0.4500D+00*RCHO+...\n & + 1.4300D-01 * RXRAT( 253 ) ! PRD2+OH=0.1430D+00*RCHO+...\n & + 1.0000D-03 * RXRAT( 255 ) ! RNO3+OH=0.1000D-02*RCHO+...\n & + 7.4000D-02 * RXRAT( 256 ) ! RNO3=0.7400D-01*RCHO+...\n & + RXRAT( 262 ) ! ACROLEIN+O3P=RCHO\n & + RXRAT( 291 ) ! xRCHO+NO=RCHO+NO\n & + RXRAT( 293 ) ! xRCHO+NO3=RCHO+NO3\n & + 5.0000D-01 * RXRAT( 294 ) ! xRCHO+MEO2=0.5000D+00*RCHO+...\n & + 5.0000D-01 * RXRAT( 295 ) ! xRCHO+RO2C=0.5000D+00*RCHO+...\n & + 5.0000D-01 * RXRAT( 296 ) ! xRCHO+RO2XC=0.5000D+...\n & + RXRAT( 297 ) ! xRCHO+MECO3=RCHO+MECO3\n & + RXRAT( 298 ) ! xRCHO+RCO3=RCHO+RCO3\n & + RXRAT( 299 ) ! xRCHO+BZCO3=RCHO+BZCO3\n & + RXRAT( 300 ) ! xRCHO+MACO3=RCHO+MACO3\n & + 4.5000D-01 * RXRAT( 531 ) ! PROPENE+O3P=0.4500D+...\n & + 5.0000D-01 * RXRAT( 558 ) ! OLE1+O3=0.5000D+00*RCHO+...\n & + 4.5000D-01 * RXRAT( 560 ) ! OLE1+O3P=0.4500D+00*RCHO+...\n & + 3.3300D-01 * RXRAT( 562 ) ! OLE2+O3=0.3330D+00*RCHO+...\n & + 7.9000D-02 * RXRAT( 564 ) ! OLE2+O3P=0.7900D-01*RCHO+...\n & + 4.0300D-01 * RXRAT( 571 ) ! TERPNRO2+NO=0.4030D+...\n & + 7.4600D-01 * RXRAT( 573 ) ! TERPNRO2+NO3=0.7460D+...\n & + 3.7300D-01 * RXRAT( 574 ) ! TERPNRO2+MEO2=0.3730D+...\n & + 3.7300D-01 * RXRAT( 575 ) ! TERPNRO2+RO2C=0.3730D+...\n & + 3.7300D-01 * RXRAT( 576 ) ! TERPNRO2+RO2XC=0.3730D+...\n & + 7.4600D-01 * RXRAT( 577 ) ! TERPNRO2+MECO3=0.7460D+...\n & + 7.4600D-01 * RXRAT( 578 ) ! TERPNRO2+RCO3=0.7460D+...\n & + 7.4600D-01 * RXRAT( 579 ) ! TERPNRO2+BZCO3=0.7460D+...\n & + 7.4600D-01 * RXRAT( 580 ) ! TERPNRO2+MACO3=0.7460D+...\n & + 7.4600D-01 * RXRAT( 581 ) ! TERPNRO2+IMACO3=0.7460D+...\n & + 2.3700D-01 * RXRAT( 582 ) ! TERP+O3P=0.2370D+00*RCHO+...\n & + 2.3700D-01 * RXRAT( 586 ) ! SESQ+O3P=0.2370D+00*RCHO+...\n & + 9.0000D-03 * RXRAT( 615 ) ! RNO3+CL=0.9000D-02*RCHO+...\n & + 1.9800D-01 * RXRAT( 616 ) ! PRD2+CL=0.1980D+00*RCHO+...\n & + 4.1400D-01 * RXRAT( 621 ) ! ROOH+CL=0.4140D+00*RCHO+...\n & + RXRAT( 871 ) ! xRCHO+IMACO3=RCHO+IMACO3\n & + 9.0000D-03 * RXRAT( 881 ) ! MTNO3+CL=0.9000D-02*RCHO+...\n & + 1.0000D-03 * RXRAT( 882 ) ! MTNO3+OH=0.1000D-02*RCHO+...\n & + 7.4000D-02 * RXRAT( 883 ) ! MTNO3=0.7400D-01*RCHO+...\n LOSS( RCHO ) = RXRAT( 201 ) ! RCHO+OH=0.9650D+00*RCO3+...\n & + RXRAT( 202 ) ! RCHO=RO2C+xHO2+yROOH+xCCHO+...\n & + RXRAT( 203 ) ! RCHO+NO3=HNO3+RCO3\n & + RXRAT( 612 ) ! RCHO+CL=HCL+0.9000D+...\n\n PROD( xHCHO ) = RXRAT( 204 ) ! ACETONE+OH=xHCHO+xMECO3+...\n & + 8.8000D-02 * RXRAT( 206 ) ! MEK+OH=0.8800D-01*xHCHO+...\n & + 1.2000D-02 * RXRAT( 214 ) ! ROOH+OH=0.1200D-01*xHCHO+...\n & + 6.5200D-01 * RXRAT( 237 ) ! AFG1+O3=0.6520D+00*xHCHO+...\n & + 6.5200D-01 * RXRAT( 240 ) ! AFG2+O3=0.6520D+00*xHCHO+...\n & + 1.6300D-01 * RXRAT( 243 ) ! AFG3+O3=0.1630D+00*xHCHO+...\n & + 1.0000D-01 * RXRAT( 244 ) ! MACR+O3=0.1000D+00*xHCHO+...\n & + 5.0000D-02 * RXRAT( 246 ) ! MVK+O3=0.5000D-01*xHCHO+...\n & + 5.5000D-02 * RXRAT( 249 ) ! IPRD+OH=0.5500D-01*xHCHO+...\n & + 1.0000D-03 * RXRAT( 250 ) ! IPRD+O3=0.1000D-02*xHCHO+...\n & + 2.2700D-01 * RXRAT( 251 ) ! IPRD+NO3=0.2270D+00*xHCHO+...\n & + 2.1100D-01 * RXRAT( 253 ) ! PRD2+OH=0.2110D+00*xHCHO+...\n & + 3.0300D-01 * RXRAT( 254 ) ! PRD2=0.3030D+00*xHCHO+...\n & + 1.1000D-02 * RXRAT( 255 ) ! RNO3+OH=0.1100D-01*xHCHO+...\n & + 6.1000D-02 * RXRAT( 256 ) ! RNO3=0.6100D-01*xHCHO+...\n & + 8.3000D-02 * RXRAT( 259 ) ! ACROLEIN+OH=0.8300D-...\n & + 2.0000D-02 * RXRAT( 264 ) ! CCOOOH+OH=0.2000D-01*xHCHO+...\n & + 1.6100D+00 * RXRAT( 524 ) ! ETHENE+OH=0.1610D+01*xHCHO+...\n & + 2.7800D-01 * RXRAT( 527 ) ! ETHENE+O3P=0.2780D+...\n & + 9.8400D-01 * RXRAT( 528 ) ! PROPENE+OH=0.9840D+...\n & + 7.0800D-01 * RXRAT( 532 ) ! BUTADIENE13+OH=0.7080D+...\n & + 1.1500D-01 * RXRAT( 534 ) ! BUTADIENE13+NO3=0.1150D+...\n & + 1.9200D-01 * RXRAT( 536 ) ! ISOPRENE+O3=0.1920D+...\n & + 2.4000D-01 * RXRAT( 537 ) ! ISOPRENE+O3P=0.2400D+...\n & + 2.2000D-02 * RXRAT( 538 ) ! APIN+OH=0.2200D-01*xHCHO+...\n & + 3.4400D-01 * RXRAT( 539 ) ! APIN+O3=0.3440D+00*xHCHO+...\n & + 7.0000D-03 * RXRAT( 540 ) ! APIN+NO3=0.7000D-02*xHCHO+...\n & + 8.1000D-02 * RXRAT( 550 ) ! ETOH+OH=0.8100D-01*xHCHO+...\n & + 2.6000D-02 * RXRAT( 553 ) ! ALK3+OH=0.2600D-01*xHCHO+...\n & + 2.9000D-02 * RXRAT( 554 ) ! ALK4+OH=0.2900D-01*xHCHO+...\n & + 4.0000D-02 * RXRAT( 555 ) ! ALK5+OH=0.4000D-01*xHCHO+...\n & + 5.8200D-01 * RXRAT( 557 ) ! OLE1+OH=0.5820D+00*xHCHO+...\n & + 1.7900D-01 * RXRAT( 561 ) ! OLE2+OH=0.1790D+00*xHCHO+...\n & + 1.1400D-01 * RXRAT( 562 ) ! OLE2+O3=0.1140D+00*xHCHO+...\n & + 7.2000D-02 * RXRAT( 563 ) ! OLE2+NO3=0.7200D-01*xHCHO+...\n & + 4.1100D-01 * RXRAT( 568 ) ! TERP+OH=0.4110D+00*xHCHO+...\n & + 3.3000D-02 * RXRAT( 569 ) ! TERP+O3=0.3300D-01*xHCHO+...\n & + 4.1100D-01 * RXRAT( 583 ) ! SESQ+OH=0.4110D+00*xHCHO+...\n & + 3.3000D-02 * RXRAT( 584 ) ! SESQ+O3=0.3300D-01*xHCHO+...\n & + 2.3000D-02 * RXRAT( 585 ) ! SESQ+NO3=0.2300D-01*xHCHO+...\n & + RXRAT( 613 ) ! ACETONE+CL=xHCHO+RO2C+HCL+...\n & + 6.5000D-02 * RXRAT( 614 ) ! MEK+CL=0.6500D-01*xHCHO+...\n & + 4.5000D-02 * RXRAT( 615 ) ! RNO3+CL=0.4500D-01*xHCHO+...\n & + 2.3700D-01 * RXRAT( 616 ) ! PRD2+CL=0.2370D+00*xHCHO+...\n & + 1.0600D-01 * RXRAT( 621 ) ! ROOH+CL=0.1060D+00*xHCHO+...\n & + 2.7400D-01 * RXRAT( 624 ) ! ACROLEIN+CL=0.2740D+...\n & + 1.9500D-01 * RXRAT( 626 ) ! IPRD+CL=0.1950D+00*xHCHO+...\n & + RXRAT( 627 ) ! CLCCHO=xHCHO+CO+RO2C+xCL+...\n & + RXRAT( 630 ) ! CLACET=xHCHO+RO2C+xCL+...\n & + RXRAT( 662 ) ! ETHENE+CL=xHCHO+0.2000D+...\n & + 8.6300D-01 * RXRAT( 664 ) ! BUTADIENE13+CL=0.8630D+...\n & + 2.7500D-01 * RXRAT( 665 ) ! ISOPRENE+CL=0.2750D+...\n & + 1.5800D-01 * RXRAT( 666 ) ! APIN+CL=0.1580D+00*xHCHO+...\n & + 5.0300D-01 * RXRAT( 673 ) ! ETOH+CL=0.5030D+00*xHCHO+...\n & + 7.8000D-02 * RXRAT( 676 ) ! ALK3+CL=0.7800D-01*xHCHO+...\n & + 3.4000D-02 * RXRAT( 677 ) ! ALK4+CL=0.3400D-01*xHCHO+...\n & + 2.2000D-02 * RXRAT( 678 ) ! ALK5+CL=0.2200D-01*xHCHO+...\n & + 3.6000D-02 * RXRAT( 679 ) ! OLE1+CL=0.3600D-01*xHCHO+...\n & + 1.9000D-01 * RXRAT( 680 ) ! OLE2+CL=0.1900D+00*xHCHO+...\n & + 1.5800D-01 * RXRAT( 684 ) ! TERP+CL=0.1580D+00*xHCHO+...\n & + 1.5800D-01 * RXRAT( 685 ) ! SESQ+CL=0.1580D+00*xHCHO+...\n & + 3.3000D-01 * RXRAT( 825 ) ! MACR=0.3300D+00*xHCHO+...\n & + 4.5000D-02 * RXRAT( 881 ) ! MTNO3+CL=0.4500D-01*xHCHO+...\n & + 1.1000D-02 * RXRAT( 882 ) ! MTNO3+OH=0.1100D-01*xHCHO+...\n & + 6.1000D-02 * RXRAT( 883 ) ! MTNO3=0.6100D-01*xHCHO+...\n LOSS( xHCHO ) = RXRAT( 271 ) ! xHCHO+NO=NO+HCHO\n & + RXRAT( 272 ) ! xHCHO+HO2=HO2\n & + RXRAT( 273 ) ! xHCHO+NO3=NO3+HCHO\n & + RXRAT( 274 ) ! xHCHO+MEO2=MEO2+0.5000D+...\n & + RXRAT( 275 ) ! xHCHO+RO2C=RO2C+0.5000D+...\n & + RXRAT( 276 ) ! xHCHO+RO2XC=RO2XC+0.5000D+...\n & + RXRAT( 277 ) ! xHCHO+MECO3=MECO3+HCHO\n & + RXRAT( 278 ) ! xHCHO+RCO3=RCO3+HCHO\n & + RXRAT( 279 ) ! xHCHO+BZCO3=BZCO3+HCHO\n & + RXRAT( 280 ) ! xHCHO+MACO3=MACO3+HCHO\n & + RXRAT( 873 ) ! xHCHO+IMACO3=IMACO3+HCHO\n\n PROD( MEK ) = 5.5000D-01 * RXRAT( 247 ) ! MVK+O3P=0.5500D+00*MEK+...\n & + 2.1000D-01 * RXRAT( 250 ) ! IPRD+O3=0.2100D+00*MEK+...\n & + 2.3300D-01 * RXRAT( 252 ) ! IPRD=0.2330D+00*MEK+...\n & + 1.0000D-02 * RXRAT( 255 ) ! RNO3+OH=0.1000D-01*MEK+...\n & + 1.2400D-01 * RXRAT( 256 ) ! RNO3=0.1240D+00*MEK+...\n & + RXRAT( 311 ) ! xMEK+NO=MEK+NO\n & + RXRAT( 313 ) ! xMEK+NO3=MEK+NO3\n & + 5.0000D-01 * RXRAT( 314 ) ! xMEK+MEO2=0.5000D+00*MEK+MEO2\n & + 5.0000D-01 * RXRAT( 315 ) ! xMEK+RO2C=0.5000D+00*MEK+RO2C\n & + 5.0000D-01 * RXRAT( 316 ) ! xMEK+RO2XC=0.5000D+00*MEK+...\n & + RXRAT( 317 ) ! xMEK+MECO3=MEK+MECO3\n & + RXRAT( 318 ) ! xMEK+RCO3=MEK+RCO3\n & + RXRAT( 319 ) ! xMEK+BZCO3=MEK+BZCO3\n & + RXRAT( 320 ) ! xMEK+MACO3=MEK+MACO3\n & + 5.0000D-01 * RXRAT( 455 ) ! yROOH+MEO2=0.5000D+00*MEK+MEO2\n & + 5.0000D-01 * RXRAT( 456 ) ! yROOH+RO2C=0.5000D+00*MEK+RO2C\n & + 5.0000D-01 * RXRAT( 457 ) ! yROOH+RO2XC=0.5000D+00*MEK+...\n & + 5.5000D-01 * RXRAT( 531 ) ! PROPENE+O3P=0.5500D+00*MEK+...\n & + 8.0000D-03 * RXRAT( 539 ) ! APIN+O3=0.8000D-02*MEK+...\n & + 9.0000D-03 * RXRAT( 558 ) ! OLE1+O3=0.9000D-02*MEK+...\n & + 3.9000D-01 * RXRAT( 560 ) ! OLE1+O3P=0.3900D+00*MEK+...\n & + 3.3000D-02 * RXRAT( 562 ) ! OLE2+O3=0.3300D-01*MEK+...\n & + 7.5100D-01 * RXRAT( 564 ) ! OLE2+O3P=0.7510D+00*MEK+...\n & + 2.0000D-03 * RXRAT( 569 ) ! TERP+O3=0.2000D-02*MEK+...\n & + 2.0000D-03 * RXRAT( 584 ) ! SESQ+O3=0.2000D-02*MEK+...\n & + 1.8000D-02 * RXRAT( 615 ) ! RNO3+CL=0.1800D-01*MEK+...\n & + 5.0000D-01 * RXRAT( 777 ) ! MVKOO+MEO2=0.5000D+00*MEK+...\n & + 5.0000D-01 * RXRAT( 778 ) ! MVKOO+RO2C=0.5000D+00*MEK+...\n & + RXRAT( 869 ) ! xMEK+IMACO3=MEK+IMACO3\n & + 1.8000D-02 * RXRAT( 881 ) ! MTNO3+CL=0.1800D-01*MEK+...\n & + 1.0000D-02 * RXRAT( 882 ) ! MTNO3+OH=0.1000D-01*MEK+...\n & + 1.2400D-01 * RXRAT( 883 ) ! MTNO3=0.1240D+00*MEK+...\n LOSS( MEK ) = RXRAT( 206 ) ! MEK+OH=0.9670D+00*RO2C+...\n & + RXRAT( 207 ) ! MEK=MECO3+RO2C+xHO2+xCCHO+...\n & + RXRAT( 614 ) ! MEK+CL=HCL+0.9750D+00*RO2C+...\n\n PROD( zRNO3 ) = 3.9000D-02 * RXRAT( 206 ) ! MEK+OH=0.3900D-01*zRNO3+...\n & + 4.0000D-03 * RXRAT( 214 ) ! ROOH+OH=0.4000D-02*zRNO3+...\n & + 2.9000D-02 * RXRAT( 216 ) ! R6OOH+OH=0.2900D-01*zRNO3+...\n & + 7.7000D-02 * RXRAT( 217 ) ! R6OOH=0.7700D-01*zRNO3+...\n & + 1.2400D-01 * RXRAT( 218 ) ! RAOOH+OH=0.1240D+00*zRNO3+...\n & + 6.0000D-02 * RXRAT( 236 ) ! AFG1+OH=0.6000D-01*zRNO3+...\n & + 6.0000D-02 * RXRAT( 239 ) ! AFG2+OH=0.6000D-01*zRNO3+...\n & + 1.1700D-01 * RXRAT( 242 ) ! AFG3+OH=0.1170D+00*zRNO3+...\n & + 7.0000D-03 * RXRAT( 243 ) ! AFG3+O3=0.7000D-02*zRNO3+...\n & + 4.1000D-02 * RXRAT( 249 ) ! IPRD+OH=0.4100D-01*zRNO3+...\n & + 5.1000D-02 * RXRAT( 251 ) ! IPRD+NO3=0.5100D-01*zRNO3+...\n & + 7.1000D-02 * RXRAT( 253 ) ! PRD2+OH=0.7100D-01*zRNO3+...\n & + 8.7000D-02 * RXRAT( 254 ) ! PRD2=0.8700D-01*zRNO3+...\n & + 1.7500D-01 * RXRAT( 255 ) ! RNO3+OH=0.1750D+00*zRNO3+...\n & + 1.0200D-01 * RXRAT( 256 ) ! RNO3=0.1020D+00*zRNO3+...\n & + 2.0000D-03 * RXRAT( 261 ) ! ACROLEIN+NO3=0.2000D-...\n & + 1.6000D-02 * RXRAT( 528 ) ! PROPENE+OH=0.1600D-...\n & + 5.1000D-02 * RXRAT( 530 ) ! PROPENE+NO3=0.5100D-...\n & + 4.9000D-02 * RXRAT( 532 ) ! BUTADIENE13+OH=0.4900D-...\n & + 6.5000D-02 * RXRAT( 534 ) ! BUTADIENE13+NO3=0.6500D-...\n & + 1.5000D-02 * RXRAT( 535 ) ! BUTADIENE13+O3P=0.1500D-...\n & + 8.0000D-03 * RXRAT( 536 ) ! ISOPRENE+O3=0.8000D-...\n & + 1.0000D-02 * RXRAT( 537 ) ! ISOPRENE+O3P=0.1000D-...\n & + 1.9700D-01 * RXRAT( 538 ) ! APIN+OH=0.1970D+00*zRNO3+...\n & + 3.3700D-01 * RXRAT( 539 ) ! APIN+O3=0.3370D+00*zRNO3+...\n & + 2.9300D-01 * RXRAT( 540 ) ! APIN+NO3=0.2930D+00*zRNO3+...\n & + 2.4000D-02 * RXRAT( 544 ) ! BENZENE+OH=0.2400D-...\n & + 5.4000D-02 * RXRAT( 545 ) ! TOLUENE+OH=0.5400D-...\n & + 8.2000D-02 * RXRAT( 546 ) ! MXYL+OH=0.8200D-01*zRNO3+...\n & + 8.7000D-02 * RXRAT( 547 ) ! OXYL+OH=0.8700D-01*zRNO3+...\n & + 7.6000D-02 * RXRAT( 548 ) ! PXYL+OH=0.7600D-01*zRNO3+...\n & + 1.2100D-01 * RXRAT( 549 ) ! TMBENZ124+OH=0.1210D+...\n & + 3.5000D-02 * RXRAT( 552 ) ! ALK2+OH=0.3500D-01*zRNO3+...\n & + 7.0000D-02 * RXRAT( 553 ) ! ALK3+OH=0.7000D-01*zRNO3+...\n & + 1.4900D-01 * RXRAT( 554 ) ! ALK4+OH=0.1490D+00*zRNO3+...\n & + 3.5300D-01 * RXRAT( 555 ) ! ALK5+OH=0.3530D+00*zRNO3+...\n & + 1.2800D-01 * RXRAT( 557 ) ! OLE1+OH=0.1280D+00*zRNO3+...\n & + 5.0000D-03 * RXRAT( 558 ) ! OLE1+O3=0.5000D-02*zRNO3+...\n & + 2.2800D-01 * RXRAT( 559 ) ! OLE1+NO3=0.2280D+00*zRNO3+...\n & + 8.8000D-02 * RXRAT( 561 ) ! OLE2+OH=0.8800D-01*zRNO3+...\n & + 3.0000D-03 * RXRAT( 562 ) ! OLE2+O3=0.3000D-02*zRNO3+...\n & + 1.4000D-01 * RXRAT( 563 ) ! OLE2+NO3=0.1400D+00*zRNO3+...\n & + 1.1000D-01 * RXRAT( 565 ) ! ARO1+OH=0.1100D+00*zRNO3+...\n & + 1.2800D-01 * RXRAT( 566 ) ! ARO2MN+OH=0.1280D+00*zRNO3+...\n & + 1.2800D-01 * RXRAT( 567 ) ! NAPHTHAL+OH=0.1280D+...\n & + 2.0100D-01 * RXRAT( 583 ) ! SESQ+OH=0.2010D+00*zRNO3+...\n & + 1.2100D-01 * RXRAT( 584 ) ! SESQ+O3=0.1210D+00*zRNO3+...\n & + 4.6000D-01 * RXRAT( 585 ) ! SESQ+NO3=0.4600D+00*zRNO3+...\n & + 3.9000D-02 * RXRAT( 614 ) ! MEK+CL=0.3900D-01*zRNO3+...\n & + 2.0200D-01 * RXRAT( 615 ) ! RNO3+CL=0.2020D+00*zRNO3+...\n & + 1.1600D-01 * RXRAT( 616 ) ! PRD2+CL=0.1160D+00*zRNO3+...\n & + 1.1700D-01 * RXRAT( 622 ) ! R6OOH+CL=0.1170D+00*zRNO3+...\n & + 1.2400D-01 * RXRAT( 623 ) ! RAOOH+CL=0.1240D+00*zRNO3+...\n & + 2.6000D-02 * RXRAT( 624 ) ! ACROLEIN+CL=0.2600D-...\n & + 5.3000D-02 * RXRAT( 625 ) ! MVK+CL=0.5300D-01*zRNO3+...\n & + 5.1000D-02 * RXRAT( 626 ) ! IPRD+CL=0.5100D-01*zRNO3+...\n & + 2.9000D-02 * RXRAT( 663 ) ! PROPENE+CL=0.2900D-...\n & + 6.9000D-02 * RXRAT( 664 ) ! BUTADIENE13+CL=0.6900D-...\n & + 8.5000D-02 * RXRAT( 665 ) ! ISOPRENE+CL=0.8500D-...\n & + 5.8200D-01 * RXRAT( 666 ) ! APIN+CL=0.5820D+00*zRNO3+...\n & + 1.0600D-01 * RXRAT( 668 ) ! TOLUENE+CL=0.1060D+...\n & + 1.3600D-01 * RXRAT( 669 ) ! MXYL+CL=0.1360D+00*zRNO3+...\n & + 1.3600D-01 * RXRAT( 670 ) ! OXYL+CL=0.1360D+00*zRNO3+...\n & + 1.3600D-01 * RXRAT( 671 ) ! PXYL+CL=0.1360D+00*zRNO3+...\n & + 1.6200D-01 * RXRAT( 672 ) ! TMBENZ124+CL=0.1620D+...\n & + 3.0000D-02 * RXRAT( 675 ) ! ALK2+CL=0.3000D-01*zRNO3+...\n & + 7.0000D-02 * RXRAT( 676 ) ! ALK3+CL=0.7000D-01*zRNO3+...\n & + 1.6500D-01 * RXRAT( 677 ) ! ALK4+CL=0.1650D+00*zRNO3+...\n & + 3.5200D-01 * RXRAT( 678 ) ! ALK5+CL=0.3520D+00*zRNO3+...\n & + 1.2700D-01 * RXRAT( 679 ) ! OLE1+CL=0.1270D+00*zRNO3+...\n & + 1.0600D-01 * RXRAT( 680 ) ! OLE2+CL=0.1060D+00*zRNO3+...\n & + 1.6000D-01 * RXRAT( 681 ) ! ARO1+CL=0.1600D+00*zRNO3+...\n & + 1.7200D-01 * RXRAT( 682 ) ! ARO2MN+CL=0.1720D+00*zRNO3+...\n & + 1.7200D-01 * RXRAT( 683 ) ! NAPHTHAL+CL=0.1720D+...\n & + 5.8200D-01 * RXRAT( 684 ) ! TERP+CL=0.5820D+00*zRNO3+...\n & + 5.8200D-01 * RXRAT( 685 ) ! SESQ+CL=0.5820D+00*zRNO3+...\n & + 3.3000D-02 * RXRAT( 826 ) ! MACR+CL=0.3300D-01*zRNO3+...\n LOSS( zRNO3 ) = RXRAT( 482 ) ! zRNO3+NO=NO+RNO3\n & + RXRAT( 483 ) ! zRNO3+HO2=HO2\n & + RXRAT( 484 ) ! zRNO3+NO3=NO3+PRD2+HO2\n & + RXRAT( 485 ) ! zRNO3+MEO2=MEO2+0.5000D+...\n & + RXRAT( 486 ) ! zRNO3+RO2C=RO2C+0.5000D+...\n & + RXRAT( 487 ) ! zRNO3+RO2XC=RO2XC+0.5000D+...\n & + RXRAT( 488 ) ! zRNO3+MECO3=MECO3+PRD2+HO2\n & + RXRAT( 489 ) ! zRNO3+RCO3=RCO3+PRD2+HO2\n & + RXRAT( 490 ) ! zRNO3+BZCO3=BZCO3+PRD2+HO2\n & + RXRAT( 491 ) ! zRNO3+MACO3=MACO3+PRD2+HO2\n & + RXRAT( 853 ) ! zRNO3+IMACO3=IMACO3+PRD2+HO2\n\n PROD( xRCHO ) = 3.7600D-01 * RXRAT( 206 ) ! MEK+OH=0.3760D+00*xRCHO+...\n & + 4.0000D-01 * RXRAT( 211 ) ! RCOOH+OH=0.4000D+00*xRCHO+...\n & + 2.0500D-01 * RXRAT( 214 ) ! ROOH+OH=0.2050D+00*xRCHO+...\n & + 7.5000D-02 * RXRAT( 216 ) ! R6OOH+OH=0.7500D-01*xRCHO+...\n & + 5.8000D-02 * RXRAT( 217 ) ! R6OOH=0.5800D-01*xRCHO+...\n & + 4.4800D-01 * RXRAT( 218 ) ! RAOOH+OH=0.4480D+00*xRCHO+...\n & + 4.0700D-01 * RXRAT( 236 ) ! AFG1+OH=0.4070D+00*xRCHO+...\n & + 4.0700D-01 * RXRAT( 239 ) ! AFG2+OH=0.4070D+00*xRCHO+...\n & + 1.3000D-02 * RXRAT( 249 ) ! IPRD+OH=0.1300D-01*xRCHO+...\n & + 2.1800D-01 * RXRAT( 251 ) ! IPRD+NO3=0.2180D+00*xRCHO+...\n & + 4.0200D-01 * RXRAT( 253 ) ! PRD2+OH=0.4020D+00*xRCHO+...\n & + 7.8000D-01 * RXRAT( 254 ) ! PRD2=0.7800D+00*xRCHO+...\n & + 3.6000D-02 * RXRAT( 255 ) ! RNO3+OH=0.3600D-01*xRCHO+...\n & + 6.3000D-02 * RXRAT( 256 ) ! RNO3=0.6300D-01*xRCHO+...\n & + 8.4000D-02 * RXRAT( 266 ) ! RCOOOH+OH=0.8400D-01*xRCHO+...\n & + RXRAT( 526 ) ! ETHENE+NO3=xRCHO+RO2C+xHO2+...\n & + 7.7600D-01 * RXRAT( 538 ) ! APIN+OH=0.7760D+00*xRCHO+...\n & + 2.4000D-01 * RXRAT( 539 ) ! APIN+O3=0.2400D+00*xRCHO+...\n & + 6.8400D-01 * RXRAT( 540 ) ! APIN+NO3=0.6840D+00*xRCHO+...\n & + 2.6100D-01 * RXRAT( 552 ) ! ALK2+OH=0.2610D+00*xRCHO+...\n & + 1.2200D-01 * RXRAT( 553 ) ! ALK3+OH=0.1220D+00*xRCHO+...\n & + 2.3600D-01 * RXRAT( 554 ) ! ALK4+OH=0.2360D+00*xRCHO+...\n & + 2.0900D-01 * RXRAT( 555 ) ! ALK5+OH=0.2090D+00*xRCHO+...\n & + 6.6600D-01 * RXRAT( 557 ) ! OLE1+OH=0.6660D+00*xRCHO+...\n & + 4.4000D-02 * RXRAT( 558 ) ! OLE1+O3=0.4400D-01*xRCHO+...\n & + 3.0000D-03 * RXRAT( 559 ) ! OLE1+NO3=0.3000D-02*xRCHO+...\n & + 5.1000D-01 * RXRAT( 561 ) ! OLE2+OH=0.5100D+00*xRCHO+...\n & + 1.9000D-02 * RXRAT( 562 ) ! OLE2+O3=0.1900D-01*xRCHO+...\n & + 1.6300D-01 * RXRAT( 563 ) ! OLE2+NO3=0.1630D+00*xRCHO+...\n & + 3.8500D-01 * RXRAT( 568 ) ! TERP+OH=0.3850D+00*xRCHO+...\n & + 2.0800D-01 * RXRAT( 569 ) ! TERP+O3=0.2080D+00*xRCHO+...\n & + 3.8500D-01 * RXRAT( 583 ) ! SESQ+OH=0.3850D+00*xRCHO+...\n & + 2.0800D-01 * RXRAT( 584 ) ! SESQ+O3=0.2080D+00*xRCHO+...\n & + 4.0300D-01 * RXRAT( 585 ) ! SESQ+NO3=0.4030D+00*xRCHO+...\n & + 8.4000D-01 * RXRAT( 614 ) ! MEK+CL=0.8400D+00*xRCHO+...\n & + 2.0000D-02 * RXRAT( 615 ) ! RNO3+CL=0.2000D-01*xRCHO+...\n & + 5.9100D-01 * RXRAT( 616 ) ! PRD2+CL=0.5910D+00*xRCHO+...\n & + 1.9700D-01 * RXRAT( 621 ) ! ROOH+CL=0.1970D+00*xRCHO+...\n & + 6.7600D-01 * RXRAT( 622 ) ! R6OOH+CL=0.6760D+00*xRCHO+...\n & + 4.4800D-01 * RXRAT( 623 ) ! RAOOH+CL=0.4480D+00*xRCHO+...\n & + 1.8500D-01 * RXRAT( 666 ) ! APIN+CL=0.1850D+00*xRCHO+...\n & + 4.8200D-01 * RXRAT( 675 ) ! ALK2+CL=0.4820D+00*xRCHO+...\n & + 3.4300D-01 * RXRAT( 676 ) ! ALK3+CL=0.3430D+00*xRCHO+...\n & + 4.1200D-01 * RXRAT( 677 ) ! ALK4+CL=0.4120D+00*xRCHO+...\n & + 2.5800D-01 * RXRAT( 678 ) ! ALK5+CL=0.2580D+00*xRCHO+...\n & + 7.2000D-02 * RXRAT( 679 ) ! OLE1+CL=0.7200D-01*xRCHO+...\n & + 3.1700D-01 * RXRAT( 680 ) ! OLE2+CL=0.3170D+00*xRCHO+...\n & + 1.8500D-01 * RXRAT( 684 ) ! TERP+CL=0.1850D+00*xRCHO+...\n & + 1.8500D-01 * RXRAT( 685 ) ! SESQ+CL=0.1850D+00*xRCHO+...\n & + 2.0000D-02 * RXRAT( 881 ) ! MTNO3+CL=0.2000D-01*xRCHO+...\n & + 3.6000D-02 * RXRAT( 882 ) ! MTNO3+OH=0.3600D-01*xRCHO+...\n & + 6.3000D-02 * RXRAT( 883 ) ! MTNO3=0.6300D-01*xRCHO+...\n LOSS( xRCHO ) = RXRAT( 291 ) ! xRCHO+NO=NO+RCHO\n & + RXRAT( 292 ) ! xRCHO+HO2=HO2\n & + RXRAT( 293 ) ! xRCHO+NO3=NO3+RCHO\n & + RXRAT( 294 ) ! xRCHO+MEO2=MEO2+0.5000D+...\n & + RXRAT( 295 ) ! xRCHO+RO2C=RO2C+0.5000D+...\n & + RXRAT( 296 ) ! xRCHO+RO2XC=RO2XC+0.5000D+...\n & + RXRAT( 297 ) ! xRCHO+MECO3=MECO3+RCHO\n & + RXRAT( 298 ) ! xRCHO+RCO3=RCO3+RCHO\n & + RXRAT( 299 ) ! xRCHO+BZCO3=BZCO3+RCHO\n & + RXRAT( 300 ) ! xRCHO+MACO3=MACO3+RCHO\n & + RXRAT( 871 ) ! xRCHO+IMACO3=IMACO3+RCHO\n\n PROD( HCOOH ) = 3.3300D-01 * RXRAT( 244 ) ! MACR+O3=0.3330D+00*HCOOH+...\n & + 3.5100D-01 * RXRAT( 246 ) ! MVK+O3=0.3510D+00*HCOOH+...\n & + 1.0000D-01 * RXRAT( 250 ) ! IPRD+O3=0.1000D+00*HCOOH+...\n & + 1.8500D-01 * RXRAT( 260 ) ! ACROLEIN+O3=0.1850D+...\n & + 3.7000D-01 * RXRAT( 525 ) ! ETHENE+O3=0.3700D+00*HCOOH+...\n & + 1.8500D-01 * RXRAT( 529 ) ! PROPENE+O3=0.1850D+...\n & + 1.8500D-01 * RXRAT( 533 ) ! BUTADIENE13+O3=0.1850D+...\n & + 2.0400D-01 * RXRAT( 536 ) ! ISOPRENE+O3=0.2040D+...\n & + 3.0000D-01 * RXRAT( 542 ) ! ACETYLENE+OH=0.3000D+...\n & + 1.8500D-01 * RXRAT( 558 ) ! OLE1+O3=0.1850D+00*HCOOH+...\n & + 2.4000D-02 * RXRAT( 562 ) ! OLE2+O3=0.2400D-01*HCOOH+...\n & + 1.7200D-01 * RXRAT( 569 ) ! TERP+O3=0.1720D+00*HCOOH+...\n & + 1.7200D-01 * RXRAT( 584 ) ! SESQ+O3=0.1720D+00*HCOOH+...\n & + 3.1000D-01 * RXRAT( 735 ) ! ISOPNOOD+NO=0.3100D+...\n & + 1.5500D-01 * RXRAT( 737 ) ! ISOPNOOD+MEO2=0.1550D+...\n & + 1.5500D-01 * RXRAT( 738 ) ! ISOPNOOD+RO2C=0.1550D+...\n & + 3.1000D-01 * RXRAT( 739 ) ! ISOPNOOD+MECO3=0.3100D+...\n & + 1.6000D-01 * RXRAT( 747 ) ! ISOPNB+O3=0.1600D+00*HCOOH+...\n & + 1.6000D-01 * RXRAT( 796 ) ! HOCCHO+OH=0.1600D+00*HCOOH+...\n & + 1.2500D-01 * RXRAT( 797 ) ! HACET+OH=0.1250D+00*HCOOH+...\n & + 6.5000D-01 * RXRAT( 805 ) ! MVKN+OH=0.6500D+00*HCOOH+...\n & + 7.0000D-02 * RXRAT( 807 ) ! MACRN+OH=0.7000D-01*HCOOH+...\n & + 7.4000D-02 * RXRAT( 814 ) ! IEPOXOO+HO2=0.7400D-...\n & + 7.4000D-02 * RXRAT( 815 ) ! IEPOXOO+NO=0.7400D-...\n & + 3.7000D-02 * RXRAT( 816 ) ! IEPOXOO+MEO2=0.3700D-...\n & + 3.7000D-02 * RXRAT( 817 ) ! IEPOXOO+RO2C=0.3700D-...\n & + 7.4000D-02 * RXRAT( 818 ) ! IEPOXOO+MECO3=0.7400D-...\n LOSS( HCOOH ) = RXRAT( 209 ) ! HCOOH+OH=HO2+CO2\n\n PROD( xMGLY ) = 4.9100D-01 * RXRAT( 210 ) ! CCOOH+OH=0.4910D+00*xMGLY+...\n & + 2.5200D-01 * RXRAT( 218 ) ! RAOOH+OH=0.2520D+00*xMGLY+...\n & + 2.5000D-01 * RXRAT( 228 ) ! CRES+OH=0.2500D+00*xMGLY+...\n & + 2.6700D-01 * RXRAT( 236 ) ! AFG1+OH=0.2670D+00*xMGLY+...\n & + 2.6700D-01 * RXRAT( 239 ) ! AFG2+OH=0.2670D+00*xMGLY+...\n & + 1.5300D-01 * RXRAT( 242 ) ! AFG3+OH=0.1530D+00*xMGLY+...\n & + 9.5000D-02 * RXRAT( 243 ) ! AFG3+O3=0.9500D-01*xMGLY+...\n & + 1.7400D-01 * RXRAT( 249 ) ! IPRD+OH=0.1740D+00*xMGLY+...\n & + 8.0000D-03 * RXRAT( 251 ) ! IPRD+NO3=0.8000D-02*xMGLY+...\n & + 2.0000D-02 * RXRAT( 538 ) ! APIN+OH=0.2000D-01*xMGLY+...\n & + 2.0000D-03 * RXRAT( 540 ) ! APIN+NO3=0.2000D-02*xMGLY+...\n & + 1.5100D-01 * RXRAT( 545 ) ! TOLUENE+OH=0.1510D+...\n & + 3.8000D-01 * RXRAT( 546 ) ! MXYL+OH=0.3800D+00*xMGLY+...\n & + 2.3800D-01 * RXRAT( 547 ) ! OXYL+OH=0.2380D+00*xMGLY+...\n & + 1.1200D-01 * RXRAT( 548 ) ! PXYL+OH=0.1120D+00*xMGLY+...\n & + 4.0500D-01 * RXRAT( 549 ) ! TMBENZ124+OH=0.4050D+...\n & + 1.0000D-01 * RXRAT( 565 ) ! ARO1+OH=0.1000D+00*xMGLY+...\n & + 3.1200D-01 * RXRAT( 566 ) ! ARO2MN+OH=0.3120D+00*xMGLY+...\n & + 3.1200D-01 * RXRAT( 567 ) ! NAPHTHAL+OH=0.3120D+...\n & + 3.0000D-03 * RXRAT( 568 ) ! TERP+OH=0.3000D-02*xMGLY+...\n & + 3.0000D-03 * RXRAT( 569 ) ! TERP+O3=0.3000D-02*xMGLY+...\n & + 3.0000D-03 * RXRAT( 583 ) ! SESQ+OH=0.3000D-02*xMGLY+...\n & + 3.0000D-03 * RXRAT( 584 ) ! SESQ+O3=0.3000D-02*xMGLY+...\n & + 2.5200D-01 * RXRAT( 623 ) ! RAOOH+CL=0.2520D+00*xMGLY+...\n & + 1.7000D-02 * RXRAT( 626 ) ! IPRD+CL=0.1700D-01*xMGLY+...\n LOSS( xMGLY ) = RXRAT( 341 ) ! xMGLY+NO=NO+MGLY\n & + RXRAT( 342 ) ! xMGLY+HO2=HO2\n & + RXRAT( 343 ) ! xMGLY+NO3=NO3+MGLY\n & + RXRAT( 344 ) ! xMGLY+MEO2=MEO2+0.5000D+...\n & + RXRAT( 345 ) ! xMGLY+RO2C=RO2C+0.5000D+...\n & + RXRAT( 346 ) ! xMGLY+RO2XC=RO2XC+0.5000D+...\n & + RXRAT( 347 ) ! xMGLY+MECO3=MECO3+MGLY\n & + RXRAT( 348 ) ! xMGLY+RCO3=RCO3+MGLY\n & + RXRAT( 349 ) ! xMGLY+BZCO3=BZCO3+MGLY\n & + RXRAT( 350 ) ! xMGLY+MACO3=MACO3+MGLY\n & + RXRAT( 866 ) ! xMGLY+IMACO3=IMACO3+MGLY\n\n PROD( xBACL ) = 4.5700D-01 * RXRAT( 211 ) ! RCOOH+OH=0.4570D+00*xBACL+...\n & + 1.9000D-02 * RXRAT( 242 ) ! AFG3+OH=0.1900D-01*xBACL+...\n & + 2.3000D-02 * RXRAT( 538 ) ! APIN+OH=0.2300D-01*xBACL+...\n & + 8.1000D-02 * RXRAT( 539 ) ! APIN+O3=0.8100D-01*xBACL+...\n & + 1.8500D-01 * RXRAT( 547 ) ! OXYL+OH=0.1850D+00*xBACL+...\n & + 1.1200D-01 * RXRAT( 549 ) ! TMBENZ124+OH=0.1120D+...\n & + 1.3400D-01 * RXRAT( 566 ) ! ARO2MN+OH=0.1340D+00*xBACL+...\n & + 1.3400D-01 * RXRAT( 567 ) ! NAPHTHAL+OH=0.1340D+...\n & + 9.0000D-03 * RXRAT( 568 ) ! TERP+OH=0.9000D-02*xBACL+...\n & + 3.9000D-02 * RXRAT( 569 ) ! TERP+O3=0.3900D-01*xBACL+...\n & + 9.0000D-03 * RXRAT( 583 ) ! SESQ+OH=0.9000D-02*xBACL+...\n & + 3.9000D-02 * RXRAT( 584 ) ! SESQ+O3=0.3900D-01*xBACL+...\n & + 3.0000D-03 * RXRAT( 666 ) ! APIN+CL=0.3000D-02*xBACL+...\n & + 3.0000D-03 * RXRAT( 684 ) ! TERP+CL=0.3000D-02*xBACL+...\n & + 3.0000D-03 * RXRAT( 685 ) ! SESQ+CL=0.3000D-02*xBACL+...\n LOSS( xBACL ) = RXRAT( 351 ) ! xBACL+NO=NO+BACL\n & + RXRAT( 352 ) ! xBACL+HO2=HO2\n & + RXRAT( 353 ) ! xBACL+NO3=NO3+BACL\n & + RXRAT( 354 ) ! xBACL+MEO2=MEO2+0.5000D+...\n & + RXRAT( 355 ) ! xBACL+RO2C=RO2C+0.5000D+...\n & + RXRAT( 356 ) ! xBACL+RO2XC=RO2XC+0.5000D+...\n & + RXRAT( 357 ) ! xBACL+MECO3=MECO3+BACL\n & + RXRAT( 358 ) ! xBACL+RCO3=RCO3+BACL\n & + RXRAT( 359 ) ! xBACL+BZCO3=BZCO3+BACL\n & + RXRAT( 360 ) ! xBACL+MACO3=MACO3+BACL\n & + RXRAT( 865 ) ! xBACL+IMACO3=IMACO3+BACL\n\n PROD( ROOH ) = RXRAT( 453 ) ! yROOH+HO2=ROOH+HO2\n & + RXRAT( 776 ) ! MVKOO+HO2=ROOH\n & + RXRAT( 781 ) ! MACROO+HO2=ROOH\n LOSS( ROOH ) = RXRAT( 214 ) ! ROOH+OH=0.7440D+00*OH+...\n & + RXRAT( 215 ) ! ROOH=RCHO+HO2+OH\n & + RXRAT( 621 ) ! ROOH+CL=HCL+0.4140D+00*OH+...\n\n PROD( xPROD2 ) = 3.4000D-02 * RXRAT( 214 ) ! ROOH+OH=0.3400D-01*xPROD2+...\n & + 8.4000D-02 * RXRAT( 216 ) ! R6OOH+OH=0.8400D-01*xPROD2+...\n & + 6.9800D-01 * RXRAT( 217 ) ! R6OOH=0.6980D+00*xPROD2+...\n & + 3.3200D-01 * RXRAT( 249 ) ! IPRD+OH=0.3320D+00*xPROD2+...\n & + 7.0000D-03 * RXRAT( 253 ) ! PRD2+OH=0.7000D-02*xPROD2+...\n & + 3.1000D-02 * RXRAT( 255 ) ! RNO3+OH=0.3100D-01*xPROD2+...\n & + 2.6100D-01 * RXRAT( 256 ) ! RNO3=0.2610D+00*xPROD2+...\n & + 1.4600D-01 * RXRAT( 554 ) ! ALK4+OH=0.1460D+00*xPROD2+...\n & + 4.0700D-01 * RXRAT( 555 ) ! ALK5+OH=0.4070D+00*xPROD2+...\n & + 1.6800D-01 * RXRAT( 557 ) ! OLE1+OH=0.1680D+00*xPROD2+...\n & + 2.3000D-02 * RXRAT( 561 ) ! OLE2+OH=0.2300D-01*xPROD2+...\n & + 3.0900D-01 * RXRAT( 565 ) ! ARO1+OH=0.3090D+00*xPROD2+...\n & + 5.7000D-02 * RXRAT( 566 ) ! ARO2MN+OH=0.5700D-...\n & + 5.7000D-02 * RXRAT( 567 ) ! NAPHTHAL+OH=0.5700D-...\n & + 4.0900D-01 * RXRAT( 568 ) ! TERP+OH=0.4090D+00*xPROD2+...\n & + 4.0900D-01 * RXRAT( 583 ) ! SESQ+OH=0.4090D+00*xPROD2+...\n & + 4.6000D-02 * RXRAT( 615 ) ! RNO3+CL=0.4600D-01*xPROD2+...\n & + 4.0000D-02 * RXRAT( 616 ) ! PRD2+CL=0.4000D-01*xPROD2+...\n & + 2.8000D-01 * RXRAT( 622 ) ! R6OOH+CL=0.2800D+00*xPROD2+...\n & + 1.3000D-01 * RXRAT( 677 ) ! ALK4+CL=0.1300D+00*xPROD2+...\n & + 3.7800D-01 * RXRAT( 678 ) ! ALK5+CL=0.3780D+00*xPROD2+...\n & + 8.4000D-01 * RXRAT( 681 ) ! ARO1+CL=0.8400D+00*xPROD2+...\n & + 3.5900D-01 * RXRAT( 682 ) ! ARO2MN+CL=0.3590D+...\n & + 3.5900D-01 * RXRAT( 683 ) ! NAPHTHAL+CL=0.3590D+...\n & + 4.6000D-02 * RXRAT( 881 ) ! MTNO3+CL=0.4600D-01*xPROD2+...\n & + 3.1000D-02 * RXRAT( 882 ) ! MTNO3+OH=0.3100D-01*xPROD2+...\n & + 2.6100D-01 * RXRAT( 883 ) ! MTNO3=0.2610D+00*xPROD2+...\n LOSS( xPROD2 ) = RXRAT( 321 ) ! xPROD2+NO=NO+PRD2\n & + RXRAT( 322 ) ! xPROD2+HO2=HO2\n & + RXRAT( 323 ) ! xPROD2+NO3=NO3+PRD2\n & + RXRAT( 324 ) ! xPROD2+MEO2=MEO2+0.5000D+...\n & + RXRAT( 325 ) ! xPROD2+RO2C=RO2C+0.5000D+...\n & + RXRAT( 326 ) ! xPROD2+RO2XC=RO2XC+0.5000D+...\n & + RXRAT( 327 ) ! xPROD2+MECO3=MECO3+PRD2\n & + RXRAT( 328 ) ! xPROD2+RCO3=RCO3+PRD2\n & + RXRAT( 329 ) ! xPROD2+BZCO3=BZCO3+PRD2\n & + RXRAT( 330 ) ! xPROD2+MACO3=MACO3+PRD2\n & + RXRAT( 868 ) ! xPROD2+IMACO3=IMACO3+PRD2\n\n PROD( R6OOH ) = RXRAT( 463 ) ! yR6OOH+HO2=R6OOH+HO2\n & + RXRAT( 729 ) ! HC5OO+HO2=R6OOH\n & + RXRAT( 765 ) ! NIT1OHOO+HO2=R6OOH\n & + RXRAT( 770 ) ! DIBOO+HO2=R6OOH\n LOSS( R6OOH ) = RXRAT( 216 ) ! R6OOH+OH=0.8400D+00*OH+...\n & + RXRAT( 217 ) ! R6OOH=OH+0.1420D+00*HO2+...\n & + RXRAT( 622 ) ! R6OOH+CL=HCL+0.1450D+00*OH+...\n\n PROD( PRD2 ) = 8.4000D-01 * RXRAT( 216 ) ! R6OOH+OH=0.8400D+00*PRD2+...\n & + 1.4200D-01 * RXRAT( 217 ) ! R6OOH=0.1420D+00*PRD2+...\n & + 7.4000D-02 * RXRAT( 218 ) ! RAOOH+OH=0.7400D-01*PRD2+...\n & + RXRAT( 241 ) ! AFG2=PRD2\n & + 6.0000D-01 * RXRAT( 248 ) ! MVK=0.6000D+00*PRD2+...\n & + 8.0000D-03 * RXRAT( 255 ) ! RNO3+OH=0.8000D-02*PRD2+...\n & + 1.9000D-01 * RXRAT( 256 ) ! RNO3=0.1900D+00*PRD2+...\n & + RXRAT( 321 ) ! xPROD2+NO=PRD2+NO\n & + RXRAT( 323 ) ! xPROD2+NO3=PRD2+NO3\n & + 5.0000D-01 * RXRAT( 324 ) ! xPROD2+MEO2=0.5000D+...\n & + 5.0000D-01 * RXRAT( 325 ) ! xPROD2+RO2C=0.5000D+...\n & + 5.0000D-01 * RXRAT( 326 ) ! xPROD2+RO2XC=0.5000D+...\n & + RXRAT( 327 ) ! xPROD2+MECO3=PRD2+MECO3\n & + RXRAT( 328 ) ! xPROD2+RCO3=PRD2+RCO3\n & + RXRAT( 329 ) ! xPROD2+BZCO3=PRD2+BZCO3\n & + RXRAT( 330 ) ! xPROD2+MACO3=PRD2+MACO3\n & + 5.0000D-01 * RXRAT( 465 ) ! yR6OOH+MEO2=0.5000D+...\n & + 5.0000D-01 * RXRAT( 466 ) ! yR6OOH+RO2C=0.5000D+...\n & + 5.0000D-01 * RXRAT( 467 ) ! yR6OOH+RO2XC=0.5000D+...\n & + 5.0000D-01 * RXRAT( 475 ) ! yRAOOH+MEO2=0.5000D+...\n & + 5.0000D-01 * RXRAT( 476 ) ! yRAOOH+RO2C=0.5000D+...\n & + 5.0000D-01 * RXRAT( 477 ) ! yRAOOH+RO2XC=0.5000D+...\n & + RXRAT( 484 ) ! zRNO3+NO3=PRD2+NO3+HO2\n & + 5.0000D-01 * RXRAT( 485 ) ! zRNO3+MEO2=0.5000D+00*PRD2+...\n & + 5.0000D-01 * RXRAT( 486 ) ! zRNO3+RO2C=0.5000D+00*PRD2+...\n & + 5.0000D-01 * RXRAT( 487 ) ! zRNO3+RO2XC=0.5000D+...\n & + RXRAT( 488 ) ! zRNO3+MECO3=PRD2+MECO3+HO2\n & + RXRAT( 489 ) ! zRNO3+RCO3=PRD2+RCO3+HO2\n & + RXRAT( 490 ) ! zRNO3+BZCO3=PRD2+BZCO3+HO2\n & + RXRAT( 491 ) ! zRNO3+MACO3=PRD2+MACO3+HO2\n & + RXRAT( 494 ) ! zMTNO3+NO3=PRD2+NO3+HO2\n & + 5.0000D-01 * RXRAT( 495 ) ! zMTNO3+MEO2=0.5000D+...\n & + 5.0000D-01 * RXRAT( 496 ) ! zMTNO3+RO2C=0.5000D+...\n & + 5.0000D-01 * RXRAT( 497 ) ! zMTNO3+RO2XC=0.5000D+...\n & + RXRAT( 498 ) ! zMTNO3+MECO3=PRD2+MECO3+HO2\n & + RXRAT( 499 ) ! zMTNO3+RCO3=PRD2+RCO3+HO2\n & + RXRAT( 500 ) ! zMTNO3+BZCO3=PRD2+BZCO3+HO2\n & + RXRAT( 501 ) ! zMTNO3+MACO3=PRD2+MACO3+HO2\n & + RXRAT( 502 ) ! zMTNO3+IMACO3=PRD2+IMACO3+HO2\n & + 1.2500D-01 * RXRAT( 533 ) ! BUTADIENE13+O3=0.1250D+...\n & + 7.5000D-01 * RXRAT( 535 ) ! BUTADIENE13+O3P=0.7500D+...\n & + 1.0000D-01 * RXRAT( 536 ) ! ISOPRENE+O3=0.1000D+...\n & + 7.5000D-01 * RXRAT( 537 ) ! ISOPRENE+O3P=0.7500D+...\n & + 2.5500D-01 * RXRAT( 539 ) ! APIN+O3=0.2550D+00*PRD2+...\n & + RXRAT( 541 ) ! APIN+O3P=PRD2+TRPRXN\n & + 2.6800D-01 * RXRAT( 558 ) ! OLE1+O3=0.2680D+00*PRD2+...\n & + 1.6000D-01 * RXRAT( 560 ) ! OLE1+O3P=0.1600D+00*PRD2+...\n & + 3.7000D-02 * RXRAT( 562 ) ! OLE2+O3=0.3700D-01*PRD2+...\n & + 1.7000D-01 * RXRAT( 564 ) ! OLE2+O3P=0.1700D+00*PRD2+...\n & + 5.0200D-01 * RXRAT( 569 ) ! TERP+O3=0.5020D+00*PRD2+...\n & + 7.6300D-01 * RXRAT( 582 ) ! TERP+O3P=0.7630D+00*PRD2+...\n & + 5.0200D-01 * RXRAT( 584 ) ! SESQ+O3=0.5020D+00*PRD2+...\n & + 7.6300D-01 * RXRAT( 586 ) ! SESQ+O3P=0.7630D+00*PRD2+...\n & + 1.2000D-02 * RXRAT( 615 ) ! RNO3+CL=0.1200D-01*PRD2+...\n & + 1.4500D-01 * RXRAT( 622 ) ! R6OOH+CL=0.1450D+00*PRD2+...\n & + 7.4000D-02 * RXRAT( 623 ) ! RAOOH+CL=0.7400D-01*PRD2+...\n & + 5.0000D-01 * RXRAT( 712 ) ! ISOPO2+MEO2=0.5000D+...\n & + 5.0000D-01 * RXRAT( 713 ) ! ISOPO2+RO2C=0.5000D+...\n & + RXRAT( 714 ) ! ISOPO2+ISOPO2=PRD2+0.7500D+...\n & + RXRAT( 718 ) ! HPALD+OH=PRD2+OH\n & + 9.0000D-02 * RXRAT( 728 ) ! HC5OO+NO=0.9000D-01*PRD2+...\n & + 5.4500D-01 * RXRAT( 730 ) ! HC5OO+MEO2=0.5450D+00*PRD2+...\n & + 5.4500D-01 * RXRAT( 731 ) ! HC5OO+RO2C=0.5450D+00*PRD2+...\n & + 9.0000D-02 * RXRAT( 732 ) ! HC5OO+MECO3=0.9000D-...\n & + 3.4000D-01 * RXRAT( 735 ) ! ISOPNOOD+NO=0.3400D+...\n & + 1.7000D-01 * RXRAT( 737 ) ! ISOPNOOD+MEO2=0.1700D+...\n & + 1.7000D-01 * RXRAT( 738 ) ! ISOPNOOD+RO2C=0.1700D+...\n & + 3.4000D-01 * RXRAT( 739 ) ! ISOPNOOD+MECO3=0.3400D+...\n & + 5.0000D-01 * RXRAT( 771 ) ! DIBOO+MEO2=0.5000D+00*PRD2+...\n & + 5.0000D-01 * RXRAT( 772 ) ! DIBOO+RO2C=0.5000D+00*PRD2+...\n & + 5.0000D-01 * RXRAT( 782 ) ! MACROO+MEO2=0.5000D+...\n & + 5.0000D-01 * RXRAT( 783 ) ! MACROO+RO2C=0.5000D+...\n & + 5.0000D-01 * RXRAT( 809 ) ! DHMOB+OH=0.5000D+00*PRD2+...\n & + 5.0000D-01 * RXRAT( 816 ) ! IEPOXOO+MEO2=0.5000D+...\n & + 5.0000D-01 * RXRAT( 817 ) ! IEPOXOO+RO2C=0.5000D+...\n & + RXRAT( 820 ) ! RNO3I+OH=PRD2+HO2+NO2\n & + RXRAT( 853 ) ! zRNO3+IMACO3=PRD2+IMACO3+HO2\n & + RXRAT( 868 ) ! xPROD2+IMACO3=PRD2+IMACO3\n & + 1.2000D-02 * RXRAT( 881 ) ! MTNO3+CL=0.1200D-01*PRD2+...\n & + 8.0000D-03 * RXRAT( 882 ) ! MTNO3+OH=0.8000D-02*PRD2+...\n & + 1.9000D-01 * RXRAT( 883 ) ! MTNO3=0.1900D+00*PRD2+...\n LOSS( PRD2 ) = 6.7100D-01 * RXRAT( 253 ) ! PRD2+OH=0.3290D+00*PRD2+...\n & + RXRAT( 254 ) ! PRD2=0.9130D+00*xHO2+...\n & + 8.8400D-01 * RXRAT( 616 ) ! PRD2+CL=0.1160D+00*PRD2+...\n\n PROD( yR6OOH ) = 8.5800D-01 * RXRAT( 217 ) ! R6OOH=0.8580D+00*yR6OOH+...\n & + 7.1300D-01 * RXRAT( 218 ) ! RAOOH+OH=0.7130D+00*yR6OOH+...\n & + 8.0000D-01 * RXRAT( 228 ) ! CRES+OH=0.8000D+00*yR6OOH+...\n & + 7.8300D-01 * RXRAT( 236 ) ! AFG1+OH=0.7830D+00*yR6OOH+...\n & + 6.5200D-01 * RXRAT( 237 ) ! AFG1+O3=0.6520D+00*yR6OOH+...\n & + 7.8300D-01 * RXRAT( 239 ) ! AFG2+OH=0.7830D+00*yR6OOH+...\n & + 6.5200D-01 * RXRAT( 240 ) ! AFG2+O3=0.6520D+00*yR6OOH+...\n & + 7.9400D-01 * RXRAT( 242 ) ! AFG3+OH=0.7940D+00*yR6OOH+...\n & + 2.6400D-01 * RXRAT( 243 ) ! AFG3+O3=0.2640D+00*yR6OOH+...\n & + 7.1100D-01 * RXRAT( 249 ) ! IPRD+OH=0.7110D+00*yR6OOH+...\n & + 4.8000D-02 * RXRAT( 250 ) ! IPRD+O3=0.4800D-01*yR6OOH+...\n & + 8.5000D-01 * RXRAT( 251 ) ! IPRD+NO3=0.8500D+00*yR6OOH+...\n & + 5.2800D-01 * RXRAT( 253 ) ! PRD2+OH=0.5280D+00*yR6OOH+...\n & + RXRAT( 254 ) ! PRD2=yR6OOH+0.4000D+...\n & + 6.3600D-01 * RXRAT( 255 ) ! RNO3+OH=0.6360D+00*yR6OOH+...\n & + 5.9100D-01 * RXRAT( 256 ) ! RNO3=0.5910D+00*yR6OOH+...\n & + 2.0000D-01 * RXRAT( 536 ) ! ISOPRENE+O3=0.2000D+...\n & + 2.5000D-01 * RXRAT( 537 ) ! ISOPRENE+O3P=0.2500D+...\n & + RXRAT( 538 ) ! APIN+OH=yR6OOH+0.4000D-...\n & + 7.3700D-01 * RXRAT( 539 ) ! APIN+O3=0.7370D+00*yR6OOH+...\n & + RXRAT( 540 ) ! APIN+NO3=yR6OOH+0.6430D+...\n & + 7.3000D-02 * RXRAT( 545 ) ! TOLUENE+OH=0.7300D-...\n & + 4.7000D-02 * RXRAT( 546 ) ! MXYL+OH=0.4700D-01*yR6OOH+...\n & + 5.5000D-02 * RXRAT( 547 ) ! OXYL+OH=0.5500D-01*yR6OOH+...\n & + 1.0200D-01 * RXRAT( 548 ) ! PXYL+OH=0.1020D+00*yR6OOH+...\n & + 4.3000D-02 * RXRAT( 549 ) ! TMBENZ124+OH=0.4300D-...\n & + 1.7000D-02 * RXRAT( 553 ) ! ALK3+OH=0.1700D-01*yR6OOH+...\n & + RXRAT( 554 ) ! ALK4+OH=yR6OOH+0.1000D-...\n & + RXRAT( 555 ) ! ALK5+OH=yR6OOH+0.1605D+...\n & + 8.3100D-01 * RXRAT( 557 ) ! OLE1+OH=0.8310D+00*yR6OOH+...\n & + 5.2000D-02 * RXRAT( 558 ) ! OLE1+O3=0.5200D-01*yR6OOH+...\n & + 8.3100D-01 * RXRAT( 559 ) ! OLE1+NO3=0.8310D+00*yR6OOH+...\n & + 6.8100D-01 * RXRAT( 561 ) ! OLE2+OH=0.6810D+00*yR6OOH+...\n & + 1.3600D-01 * RXRAT( 562 ) ! OLE2+O3=0.1360D+00*yR6OOH+...\n & + 6.8100D-01 * RXRAT( 563 ) ! OLE2+NO3=0.6810D+00*yR6OOH+...\n & + 3.6900D-01 * RXRAT( 565 ) ! ARO1+OH=0.3690D+00*yR6OOH+...\n & + 1.0100D-01 * RXRAT( 566 ) ! ARO2MN+OH=0.1010D+...\n & + 1.0100D-01 * RXRAT( 567 ) ! NAPHTHAL+OH=0.1010D+...\n & + RXRAT( 568 ) ! TERP+OH=yR6OOH+0.6400D-...\n & + 4.2800D-01 * RXRAT( 569 ) ! TERP+O3=0.4280D+00*yR6OOH+...\n & + RXRAT( 583 ) ! SESQ+OH=yR6OOH+0.6400D-...\n & + 4.2800D-01 * RXRAT( 584 ) ! SESQ+O3=0.4280D+00*yR6OOH+...\n & + RXRAT( 585 ) ! SESQ+NO3=yR6OOH+0.2870D+...\n & + 9.0800D-01 * RXRAT( 615 ) ! RNO3+CL=0.9080D+00*yR6OOH+...\n & + 6.8600D-01 * RXRAT( 616 ) ! PRD2+CL=0.6860D+00*yR6OOH+...\n & + RXRAT( 619 ) ! CRES+CL=yR6OOH+xHO2+xBALD+HCL\n & + 8.5500D-01 * RXRAT( 622 ) ! R6OOH+CL=0.8550D+00*yR6OOH+...\n & + 7.1300D-01 * RXRAT( 623 ) ! RAOOH+CL=0.7130D+00*yR6OOH+...\n & + 7.6200D-01 * RXRAT( 626 ) ! IPRD+CL=0.7620D+00*yR6OOH+...\n & + RXRAT( 665 ) ! ISOPRENE+CL=yR6OOH+0.7380D+...\n & + RXRAT( 666 ) ! APIN+CL=yR6OOH+0.2520D+...\n & + 1.7000D-02 * RXRAT( 676 ) ! ALK3+CL=0.1700D-01*yR6OOH+...\n & + RXRAT( 677 ) ! ALK4+CL=yR6OOH+0.8270D+...\n & + RXRAT( 678 ) ! ALK5+CL=yR6OOH+0.6470D+...\n & + 8.3100D-01 * RXRAT( 679 ) ! OLE1+CL=0.8310D+00*yR6OOH+...\n & + 6.8100D-01 * RXRAT( 680 ) ! OLE2+CL=0.6810D+00*yR6OOH+...\n & + RXRAT( 684 ) ! TERP+CL=yR6OOH+0.2520D+...\n & + RXRAT( 685 ) ! SESQ+CL=yR6OOH+0.6800D-...\n & + 9.0800D-01 * RXRAT( 881 ) ! MTNO3+CL=0.9080D+00*yR6OOH+...\n & + 6.3600D-01 * RXRAT( 882 ) ! MTNO3+OH=0.6360D+00*yR6OOH+...\n & + 5.9100D-01 * RXRAT( 883 ) ! MTNO3=0.5910D+00*yR6OOH+...\n LOSS( yR6OOH ) = RXRAT( 462 ) ! yR6OOH+NO=NO\n & + RXRAT( 463 ) ! yR6OOH+HO2=HO2+R6OOH\n & + RXRAT( 464 ) ! yR6OOH+NO3=NO3\n & + RXRAT( 465 ) ! yR6OOH+MEO2=MEO2+0.5000D+...\n & + RXRAT( 466 ) ! yR6OOH+RO2C=RO2C+0.5000D+...\n & + RXRAT( 467 ) ! yR6OOH+RO2XC=RO2XC+0.5000D+...\n & + RXRAT( 468 ) ! yR6OOH+MECO3=MECO3\n & + RXRAT( 469 ) ! yR6OOH+RCO3=RCO3\n & + RXRAT( 470 ) ! yR6OOH+BZCO3=BZCO3\n & + RXRAT( 471 ) ! yR6OOH+MACO3=MACO3\n & + RXRAT( 855 ) ! yR6OOH+IMACO3=IMACO3\n\n PROD( RAOOH ) = RXRAT( 473 ) ! yRAOOH+HO2=RAOOH+HO2\n LOSS( RAOOH ) = RXRAT( 218 ) ! RAOOH+OH=0.1390D+00*OH+...\n & + RXRAT( 219 ) ! RAOOH=OH+HO2+0.5000D+...\n & + RXRAT( 623 ) ! RAOOH+CL=0.4040D+00*HCL+...\n\n PROD( MGLY ) = 1.4700D-01 * RXRAT( 218 ) ! RAOOH+OH=0.1470D+00*MGLY+...\n & + 5.0000D-01 * RXRAT( 219 ) ! RAOOH=0.5000D+00*MGLY+HO2+...\n & + 5.6800D-01 * RXRAT( 237 ) ! AFG1+O3=0.5680D+00*MGLY+...\n & + 3.0500D-01 * RXRAT( 238 ) ! AFG1=0.3050D+00*MGLY+...\n & + 5.6800D-01 * RXRAT( 240 ) ! AFG2+O3=0.5680D+00*MGLY+...\n & + 1.8400D-01 * RXRAT( 243 ) ! AFG3+O3=0.1840D+00*MGLY+...\n & + 9.0000D-01 * RXRAT( 244 ) ! MACR+O3=0.9000D+00*MGLY+...\n & + 9.5000D-01 * RXRAT( 246 ) ! MVK+O3=0.9500D+00*MGLY+...\n & + 7.4200D-01 * RXRAT( 250 ) ! IPRD+O3=0.7420D+00*MGLY+...\n & + RXRAT( 341 ) ! xMGLY+NO=MGLY+NO\n & + RXRAT( 343 ) ! xMGLY+NO3=MGLY+NO3\n & + 5.0000D-01 * RXRAT( 344 ) ! xMGLY+MEO2=0.5000D+00*MGLY+...\n & + 5.0000D-01 * RXRAT( 345 ) ! xMGLY+RO2C=0.5000D+00*MGLY+...\n & + 5.0000D-01 * RXRAT( 346 ) ! xMGLY+RO2XC=0.5000D+...\n & + RXRAT( 347 ) ! xMGLY+MECO3=MGLY+MECO3\n & + RXRAT( 348 ) ! xMGLY+RCO3=MGLY+RCO3\n & + RXRAT( 349 ) ! xMGLY+BZCO3=MGLY+BZCO3\n & + RXRAT( 350 ) ! xMGLY+MACO3=MGLY+MACO3\n & + 1.4700D-01 * RXRAT( 623 ) ! RAOOH+CL=0.1470D+00*MGLY+...\n & + 5.0000D-01 * RXRAT( 717 ) ! HPALD=0.5000D+00*MGLY+HO2+...\n & + 2.3400D-01 * RXRAT( 728 ) ! HC5OO+NO=0.2340D+00*MGLY+...\n & + 1.1700D-01 * RXRAT( 730 ) ! HC5OO+MEO2=0.1170D+00*MGLY+...\n & + 1.1700D-01 * RXRAT( 731 ) ! HC5OO+RO2C=0.1170D+00*MGLY+...\n & + 2.3400D-01 * RXRAT( 732 ) ! HC5OO+MECO3=0.2340D+...\n & + 5.0000D-01 * RXRAT( 733 ) ! HC5+O3=0.5000D+00*MGLY+...\n & + 7.0000D-01 * RXRAT( 740 ) ! ISOPND+O3=0.7000D+00*MGLY+...\n & + 7.0000D-01 * RXRAT( 762 ) ! NIT1+O3=0.7000D+00*MGLY+...\n & + 5.2000D-01 * RXRAT( 769 ) ! DIBOO+NO=0.5200D+00*MGLY+...\n & + 2.6000D-01 * RXRAT( 771 ) ! DIBOO+MEO2=0.2600D+00*MGLY+...\n & + 2.6000D-01 * RXRAT( 772 ) ! DIBOO+RO2C=0.2600D+00*MGLY+...\n & + 5.2000D-01 * RXRAT( 773 ) ! DIBOO+MECO3=0.5200D+...\n & + 2.6500D-01 * RXRAT( 775 ) ! MVKOO+NO=0.2650D+00*MGLY+...\n & + 1.5000D-01 * RXRAT( 777 ) ! MVKOO+MEO2=0.1500D+00*MGLY+...\n & + 1.5000D-01 * RXRAT( 778 ) ! MVKOO+RO2C=0.1500D+00*MGLY+...\n & + 3.0000D-01 * RXRAT( 779 ) ! MVKOO+MECO3=0.3000D+...\n & + 1.3000D-01 * RXRAT( 780 ) ! MACROO+NO=0.1300D+00*MGLY+...\n & + 7.6000D-02 * RXRAT( 782 ) ! MACROO+MEO2=0.7600D-...\n & + 7.6000D-02 * RXRAT( 783 ) ! MACROO+RO2C=0.7600D-...\n & + 1.5000D-01 * RXRAT( 784 ) ! MACROO+MECO3=0.1500D+...\n & + 7.5000D-01 * RXRAT( 797 ) ! HACET+OH=0.7500D+00*MGLY+...\n & + RXRAT( 801 ) ! PROPNN+OH=MGLY+NO2\n & + 6.5000D-01 * RXRAT( 805 ) ! MVKN+OH=0.6500D+00*MGLY+...\n & + 7.0000D-02 * RXRAT( 807 ) ! MACRN+OH=0.7000D-01*MGLY+...\n & + 2.7500D-01 * RXRAT( 814 ) ! IEPOXOO+HO2=0.2750D+...\n & + 2.7500D-01 * RXRAT( 815 ) ! IEPOXOO+NO=0.2750D+00*MGLY+...\n & + 1.3800D-01 * RXRAT( 816 ) ! IEPOXOO+MEO2=0.1380D+...\n & + 1.3800D-01 * RXRAT( 817 ) ! IEPOXOO+RO2C=0.1380D+...\n & + 2.7500D-01 * RXRAT( 818 ) ! IEPOXOO+MECO3=0.2750D+...\n & + RXRAT( 866 ) ! xMGLY+IMACO3=MGLY+IMACO3\n LOSS( MGLY ) = RXRAT( 224 ) ! MGLY=HO2+CO+MECO3\n & + RXRAT( 225 ) ! MGLY+OH=CO+MECO3\n & + RXRAT( 226 ) ! MGLY+NO3=HNO3+CO+MECO3\n & + RXRAT( 618 ) ! MGLY+CL=HCL+CO+MECO3\n & + RXRAT( 929 ) ! MGLY=AGLYJ\n\n PROD( IPRD ) = 1.3900D-01 * RXRAT( 218 ) ! RAOOH+OH=0.1390D+00*IPRD+...\n & + 3.0000D-03 * RXRAT( 243 ) ! AFG3+O3=0.3000D-02*IPRD+...\n & + RXRAT( 421 ) ! xIPRD+NO=IPRD+NO\n & + RXRAT( 423 ) ! xIPRD+NO3=IPRD+NO3\n & + 5.0000D-01 * RXRAT( 424 ) ! xIPRD+MEO2=0.5000D+00*IPRD+...\n & + 5.0000D-01 * RXRAT( 425 ) ! xIPRD+RO2C=0.5000D+00*IPRD+...\n & + 5.0000D-01 * RXRAT( 426 ) ! xIPRD+RO2XC=0.5000D+...\n & + RXRAT( 427 ) ! xIPRD+MECO3=IPRD+MECO3\n & + RXRAT( 428 ) ! xIPRD+RCO3=IPRD+RCO3\n & + RXRAT( 429 ) ! xIPRD+BZCO3=IPRD+BZCO3\n & + RXRAT( 430 ) ! xIPRD+MACO3=IPRD+MACO3\n & + 1.5000D-01 * RXRAT( 536 ) ! ISOPRENE+O3=0.1500D+...\n & + 4.0000D-03 * RXRAT( 571 ) ! TERPNRO2+NO=0.4000D-...\n & + 7.0000D-03 * RXRAT( 573 ) ! TERPNRO2+NO3=0.7000D-...\n & + 4.0000D-03 * RXRAT( 574 ) ! TERPNRO2+MEO2=0.4000D-...\n & + 4.0000D-03 * RXRAT( 575 ) ! TERPNRO2+RO2C=0.4000D-...\n & + 4.0000D-03 * RXRAT( 576 ) ! TERPNRO2+RO2XC=0.4000D-...\n & + 7.0000D-03 * RXRAT( 577 ) ! TERPNRO2+MECO3=0.7000D-...\n & + 7.0000D-03 * RXRAT( 578 ) ! TERPNRO2+RCO3=0.7000D-...\n & + 7.0000D-03 * RXRAT( 579 ) ! TERPNRO2+BZCO3=0.7000D-...\n & + 7.0000D-03 * RXRAT( 580 ) ! TERPNRO2+MACO3=0.7000D-...\n & + 7.0000D-03 * RXRAT( 581 ) ! TERPNRO2+IMACO3=0.7000D-...\n & + 1.3900D-01 * RXRAT( 623 ) ! RAOOH+CL=0.1390D+00*IPRD+...\n & + RXRAT( 858 ) ! xIPRD+IMACO3=IPRD+IMACO3\n LOSS( IPRD ) = RXRAT( 249 ) ! IPRD+OH=0.2890D+00*MACO3+...\n & + RXRAT( 250 ) ! IPRD+O3=0.2850D+00*OH+...\n & + RXRAT( 251 ) ! IPRD+NO3=0.1500D+00*MACO3+...\n & + RXRAT( 252 ) ! IPRD=0.1233D+01*HO2+...\n & + RXRAT( 626 ) ! IPRD+CL=0.4010D+00*HCL+...\n\n PROD( xGLY ) = 2.6000D-02 * RXRAT( 218 ) ! RAOOH+OH=0.2600D-01*xGLY+...\n & + 1.0700D-01 * RXRAT( 236 ) ! AFG1+OH=0.1070D+00*xGLY+...\n & + 1.0700D-01 * RXRAT( 239 ) ! AFG2+OH=0.1070D+00*xGLY+...\n & + 2.7400D-01 * RXRAT( 242 ) ! AFG3+OH=0.2740D+00*xGLY+...\n & + 1.5000D-01 * RXRAT( 249 ) ! IPRD+OH=0.1500D+00*xGLY+...\n & + 8.3000D-02 * RXRAT( 259 ) ! ACROLEIN+OH=0.8300D-...\n & + 1.2000D-02 * RXRAT( 527 ) ! ETHENE+O3P=0.1200D-01*xGLY+...\n & + 2.0000D-03 * RXRAT( 539 ) ! APIN+O3=0.2000D-02*xGLY+...\n & + 2.9000D-01 * RXRAT( 544 ) ! BENZENE+OH=0.2900D+00*xGLY+...\n & + 2.3800D-01 * RXRAT( 545 ) ! TOLUENE+OH=0.2380D+00*xGLY+...\n & + 1.0000D-01 * RXRAT( 546 ) ! MXYL+OH=0.1000D+00*xGLY+...\n & + 8.4000D-02 * RXRAT( 547 ) ! OXYL+OH=0.8400D-01*xGLY+...\n & + 2.8600D-01 * RXRAT( 548 ) ! PXYL+OH=0.2860D+00*xGLY+...\n & + 7.4000D-02 * RXRAT( 549 ) ! TMBENZ124+OH=0.7400D-...\n & + 1.5800D-01 * RXRAT( 565 ) ! ARO1+OH=0.1580D+00*xGLY+...\n & + 8.8000D-02 * RXRAT( 566 ) ! ARO2MN+OH=0.8800D-01*xGLY+...\n & + 8.8000D-02 * RXRAT( 567 ) ! NAPHTHAL+OH=0.8800D-...\n & + 2.6000D-02 * RXRAT( 623 ) ! RAOOH+CL=0.2600D-01*xGLY+...\n & + 2.7400D-01 * RXRAT( 624 ) ! ACROLEIN+CL=0.2740D+...\n & + 7.0000D-03 * RXRAT( 666 ) ! APIN+CL=0.7000D-02*xGLY+...\n & + 7.0000D-03 * RXRAT( 684 ) ! TERP+CL=0.7000D-02*xGLY+...\n & + 7.0000D-03 * RXRAT( 685 ) ! SESQ+CL=0.7000D-02*xGLY+...\n LOSS( xGLY ) = RXRAT( 331 ) ! xGLY+NO=NO+GLY\n & + RXRAT( 332 ) ! xGLY+HO2=HO2\n & + RXRAT( 333 ) ! xGLY+NO3=NO3+GLY\n & + RXRAT( 334 ) ! xGLY+MEO2=MEO2+0.5000D+00*GLY\n & + RXRAT( 335 ) ! xGLY+RO2C=RO2C+0.5000D+00*GLY\n & + RXRAT( 336 ) ! xGLY+RO2XC=RO2XC+0.5000D+...\n & + RXRAT( 337 ) ! xGLY+MECO3=MECO3+GLY\n & + RXRAT( 338 ) ! xGLY+RCO3=RCO3+GLY\n & + RXRAT( 339 ) ! xGLY+BZCO3=BZCO3+GLY\n & + RXRAT( 340 ) ! xGLY+MACO3=MACO3+GLY\n & + RXRAT( 867 ) ! xGLY+IMACO3=IMACO3+GLY\n\n PROD( xMEK ) = 3.0000D-02 * RXRAT( 218 ) ! RAOOH+OH=0.3000D-01*xMEK+...\n & + 1.2900D-01 * RXRAT( 236 ) ! AFG1+OH=0.1290D+00*xMEK+...\n & + 1.2900D-01 * RXRAT( 239 ) ! AFG2+OH=0.1290D+00*xMEK+...\n & + 1.5000D-01 * RXRAT( 249 ) ! IPRD+OH=0.1500D+00*xMEK+...\n & + 1.1500D-01 * RXRAT( 253 ) ! PRD2+OH=0.1150D+00*xMEK+...\n & + 1.7000D-01 * RXRAT( 255 ) ! RNO3+OH=0.1700D+00*xMEK+...\n & + 8.3000D-02 * RXRAT( 256 ) ! RNO3=0.8300D-01*xMEK+...\n & + 3.3200D-01 * RXRAT( 553 ) ! ALK3+OH=0.3320D+00*xMEK+...\n & + 1.0600D-01 * RXRAT( 554 ) ! ALK4+OH=0.1060D+00*xMEK+...\n & + 8.6000D-02 * RXRAT( 555 ) ! ALK5+OH=0.8600D-01*xMEK+...\n & + 8.0000D-02 * RXRAT( 561 ) ! OLE2+OH=0.8000D-01*xMEK+...\n & + 1.0000D-03 * RXRAT( 562 ) ! OLE2+O3=0.1000D-02*xMEK+...\n & + 2.0000D-03 * RXRAT( 563 ) ! OLE2+NO3=0.2000D-02*xMEK+...\n & + 7.0000D-03 * RXRAT( 568 ) ! TERP+OH=0.7000D-02*xMEK+...\n & + 7.0000D-03 * RXRAT( 583 ) ! SESQ+OH=0.7000D-02*xMEK+...\n & + 4.1000D-02 * RXRAT( 615 ) ! RNO3+CL=0.4100D-01*xMEK+...\n & + 5.1000D-02 * RXRAT( 616 ) ! PRD2+CL=0.5100D-01*xMEK+...\n & + 2.8500D-01 * RXRAT( 621 ) ! ROOH+CL=0.2850D+00*xMEK+...\n & + 3.0000D-02 * RXRAT( 623 ) ! RAOOH+CL=0.3000D-01*xMEK+...\n & + 2.5300D-01 * RXRAT( 676 ) ! ALK3+CL=0.2530D+00*xMEK+...\n & + 7.6000D-02 * RXRAT( 677 ) ! ALK4+CL=0.7600D-01*xMEK+...\n & + 4.1000D-02 * RXRAT( 678 ) ! ALK5+CL=0.4100D-01*xMEK+...\n & + 4.2000D-02 * RXRAT( 680 ) ! OLE2+CL=0.4200D-01*xMEK+...\n & + 4.1000D-02 * RXRAT( 881 ) ! MTNO3+CL=0.4100D-01*xMEK+...\n & + 1.7000D-01 * RXRAT( 882 ) ! MTNO3+OH=0.1700D+00*xMEK+...\n & + 8.3000D-02 * RXRAT( 883 ) ! MTNO3=0.8300D-01*xMEK+...\n LOSS( xMEK ) = RXRAT( 311 ) ! xMEK+NO=NO+MEK\n & + RXRAT( 312 ) ! xMEK+HO2=HO2\n & + RXRAT( 313 ) ! xMEK+NO3=NO3+MEK\n & + RXRAT( 314 ) ! xMEK+MEO2=MEO2+0.5000D+00*MEK\n & + RXRAT( 315 ) ! xMEK+RO2C=RO2C+0.5000D+00*MEK\n & + RXRAT( 316 ) ! xMEK+RO2XC=RO2XC+0.5000D+...\n & + RXRAT( 317 ) ! xMEK+MECO3=MECO3+MEK\n & + RXRAT( 318 ) ! xMEK+RCO3=RCO3+MEK\n & + RXRAT( 319 ) ! xMEK+BZCO3=BZCO3+MEK\n & + RXRAT( 320 ) ! xMEK+MACO3=MACO3+MEK\n & + RXRAT( 869 ) ! xMEK+IMACO3=IMACO3+MEK\n\n PROD( xAFG1 ) = 7.3000D-02 * RXRAT( 218 ) ! RAOOH+OH=0.7300D-01*xAFG1+...\n & + 1.9500D-01 * RXRAT( 242 ) ! AFG3+OH=0.1950D+00*xAFG1+...\n & + 1.0000D-03 * RXRAT( 535 ) ! BUTADIENE13+O3P=0.1000D-...\n & + 2.9000D-02 * RXRAT( 544 ) ! BENZENE+OH=0.2900D-...\n & + 1.9500D-01 * RXRAT( 545 ) ! TOLUENE+OH=0.1950D+...\n & + 3.3600D-01 * RXRAT( 546 ) ! MXYL+OH=0.3360D+00*xAFG1+...\n & + 2.5300D-01 * RXRAT( 547 ) ! OXYL+OH=0.2530D+00*xAFG1+...\n & + 4.5000D-02 * RXRAT( 548 ) ! PXYL+OH=0.4500D-01*xAFG1+...\n & + 8.8000D-02 * RXRAT( 549 ) ! TMBENZ124+OH=0.8800D-...\n & + 7.2000D-02 * RXRAT( 565 ) ! ARO1+OH=0.7200D-01*xAFG1+...\n & + 2.2100D-01 * RXRAT( 566 ) ! ARO2MN+OH=0.2210D+00*xAFG1+...\n & + 2.2100D-01 * RXRAT( 567 ) ! NAPHTHAL+OH=0.2210D+...\n & + 7.3000D-02 * RXRAT( 623 ) ! RAOOH+CL=0.7300D-01*xAFG1+...\n & + 9.0000D-03 * RXRAT( 626 ) ! IPRD+CL=0.9000D-02*xAFG1+...\n & + 6.0000D-03 * RXRAT( 666 ) ! APIN+CL=0.6000D-02*xAFG1+...\n & + 6.0000D-03 * RXRAT( 684 ) ! TERP+CL=0.6000D-02*xAFG1+...\n & + 6.0000D-03 * RXRAT( 685 ) ! SESQ+CL=0.6000D-02*xAFG1+...\n LOSS( xAFG1 ) = RXRAT( 371 ) ! xAFG1+NO=NO+AFG1\n & + RXRAT( 372 ) ! xAFG1+HO2=HO2\n & + RXRAT( 373 ) ! xAFG1+NO3=NO3+AFG1\n & + RXRAT( 374 ) ! xAFG1+MEO2=MEO2+0.5000D+...\n & + RXRAT( 375 ) ! xAFG1+RO2C=RO2C+0.5000D+...\n & + RXRAT( 376 ) ! xAFG1+RO2XC=RO2XC+0.5000D+...\n & + RXRAT( 377 ) ! xAFG1+MECO3=MECO3+AFG1\n & + RXRAT( 378 ) ! xAFG1+RCO3=RCO3+AFG1\n & + RXRAT( 379 ) ! xAFG1+BZCO3=BZCO3+AFG1\n & + RXRAT( 380 ) ! xAFG1+MACO3=MACO3+AFG1\n & + RXRAT( 863 ) ! xAFG1+IMACO3=IMACO3+AFG1\n\n PROD( xAFG2 ) = 7.3000D-02 * RXRAT( 218 ) ! RAOOH+OH=0.7300D-01*xAFG2+...\n & + 1.9500D-01 * RXRAT( 242 ) ! AFG3+OH=0.1950D+00*xAFG2+...\n & + 1.0000D-03 * RXRAT( 535 ) ! BUTADIENE13+O3P=0.1000D-...\n & + 2.6100D-01 * RXRAT( 544 ) ! BENZENE+OH=0.2610D+...\n & + 1.9500D-01 * RXRAT( 545 ) ! TOLUENE+OH=0.1950D+...\n & + 1.4400D-01 * RXRAT( 546 ) ! MXYL+OH=0.1440D+00*xAFG2+...\n & + 2.5300D-01 * RXRAT( 547 ) ! OXYL+OH=0.2530D+00*xAFG2+...\n & + 6.7000D-02 * RXRAT( 548 ) ! PXYL+OH=0.6700D-01*xAFG2+...\n & + 3.5200D-01 * RXRAT( 549 ) ! TMBENZ124+OH=0.3520D+...\n & + 1.8500D-01 * RXRAT( 565 ) ! ARO1+OH=0.1850D+00*xAFG2+...\n & + 2.4700D-01 * RXRAT( 566 ) ! ARO2MN+OH=0.2470D+00*xAFG2+...\n & + 2.4700D-01 * RXRAT( 567 ) ! NAPHTHAL+OH=0.2470D+...\n & + 7.3000D-02 * RXRAT( 623 ) ! RAOOH+CL=0.7300D-01*xAFG2+...\n & + 9.0000D-03 * RXRAT( 626 ) ! IPRD+CL=0.9000D-02*xAFG2+...\n & + 6.0000D-03 * RXRAT( 666 ) ! APIN+CL=0.6000D-02*xAFG2+...\n & + 6.0000D-03 * RXRAT( 684 ) ! TERP+CL=0.6000D-02*xAFG2+...\n & + 6.0000D-03 * RXRAT( 685 ) ! SESQ+CL=0.6000D-02*xAFG2+...\n LOSS( xAFG2 ) = RXRAT( 381 ) ! xAFG2+NO=NO+AFG2\n & + RXRAT( 382 ) ! xAFG2+HO2=HO2\n & + RXRAT( 383 ) ! xAFG2+NO3=NO3+AFG2\n & + RXRAT( 384 ) ! xAFG2+MEO2=MEO2+0.5000D+...\n & + RXRAT( 385 ) ! xAFG2+RO2C=RO2C+0.5000D+...\n & + RXRAT( 386 ) ! xAFG2+RO2XC=RO2XC+0.5000D+...\n & + RXRAT( 387 ) ! xAFG2+MECO3=MECO3+AFG2\n & + RXRAT( 388 ) ! xAFG2+RCO3=RCO3+AFG2\n & + RXRAT( 389 ) ! xAFG2+BZCO3=BZCO3+AFG2\n & + RXRAT( 390 ) ! xAFG2+MACO3=MACO3+AFG2\n & + RXRAT( 862 ) ! xAFG2+IMACO3=IMACO3+AFG2\n\n PROD( GLY ) = 5.0000D-01 * RXRAT( 219 ) ! RAOOH=0.5000D+00*GLY+HO2+...\n & + 4.3200D-01 * RXRAT( 237 ) ! AFG1+O3=0.4320D+00*GLY+...\n & + 1.9500D-01 * RXRAT( 238 ) ! AFG1=0.1950D+00*GLY+...\n & + 4.3200D-01 * RXRAT( 240 ) ! AFG2+O3=0.4320D+00*GLY+...\n & + 3.6600D-01 * RXRAT( 243 ) ! AFG3+O3=0.3660D+00*GLY+...\n & + 2.3000D-02 * RXRAT( 250 ) ! IPRD+O3=0.2300D-01*GLY+...\n & + 5.0000D-01 * RXRAT( 260 ) ! ACROLEIN+O3=0.5000D+00*GLY+...\n & + 5.6000D-01 * RXRAT( 270 ) ! HCOCO3+HO2=0.5600D+00*GLY+...\n & + RXRAT( 331 ) ! xGLY+NO=GLY+NO\n & + RXRAT( 333 ) ! xGLY+NO3=GLY+NO3\n & + 5.0000D-01 * RXRAT( 334 ) ! xGLY+MEO2=0.5000D+00*GLY+MEO2\n & + 5.0000D-01 * RXRAT( 335 ) ! xGLY+RO2C=0.5000D+00*GLY+RO2C\n & + 5.0000D-01 * RXRAT( 336 ) ! xGLY+RO2XC=0.5000D+00*GLY+...\n & + RXRAT( 337 ) ! xGLY+MECO3=GLY+MECO3\n & + RXRAT( 338 ) ! xGLY+RCO3=GLY+RCO3\n & + RXRAT( 339 ) ! xGLY+BZCO3=GLY+BZCO3\n & + RXRAT( 340 ) ! xGLY+MACO3=GLY+MACO3\n & + 7.0000D-01 * RXRAT( 542 ) ! ACETYLENE+OH=0.7000D+...\n & + 2.5000D-01 * RXRAT( 717 ) ! HPALD=0.2500D+00*GLY+HO2+...\n & + 2.1600D-01 * RXRAT( 728 ) ! HC5OO+NO=0.2160D+00*GLY+...\n & + 1.0800D-01 * RXRAT( 730 ) ! HC5OO+MEO2=0.1080D+00*GLY+...\n & + 1.0800D-01 * RXRAT( 731 ) ! HC5OO+RO2C=0.1080D+00*GLY+...\n & + 2.1600D-01 * RXRAT( 732 ) ! HC5OO+MECO3=0.2160D+00*GLY+...\n & + 3.5000D-01 * RXRAT( 733 ) ! HC5+O3=0.3500D+00*GLY+...\n & + RXRAT( 756 ) ! NIT1NO3OOB+NO3=GLY+ISOPNN+NO2\n & + 9.4000D-01 * RXRAT( 757 ) ! NIT1NO3OOB+NO=0.9400D+...\n & + 7.0000D-01 * RXRAT( 759 ) ! NIT1NO3OOB+RO2C=0.7000D+...\n & + 7.0000D-01 * RXRAT( 760 ) ! NIT1NO3OOB+MEO2=0.7000D+...\n & + RXRAT( 761 ) ! NIT1NO3OOB+MECO3=GLY+CO2+...\n & + 7.0000D-01 * RXRAT( 762 ) ! NIT1+O3=0.7000D+00*GLY+...\n & + 9.1900D-01 * RXRAT( 764 ) ! NIT1OHOO+NO=0.9190D+00*GLY+...\n & + 6.8900D-01 * RXRAT( 766 ) ! NIT1OHOO+RO2C=0.6890D+...\n & + 6.8900D-01 * RXRAT( 767 ) ! NIT1OHOO+MEO2=0.6890D+...\n & + 9.8400D-01 * RXRAT( 768 ) ! NIT1OHOO+MECO3=0.9840D+...\n & + 4.8000D-01 * RXRAT( 769 ) ! DIBOO+NO=0.4800D+00*GLY+...\n & + 2.4000D-01 * RXRAT( 771 ) ! DIBOO+MEO2=0.2400D+00*GLY+...\n & + 2.4000D-01 * RXRAT( 772 ) ! DIBOO+RO2C=0.2400D+00*GLY+...\n & + 4.8000D-01 * RXRAT( 773 ) ! DIBOO+MECO3=0.4800D+00*GLY+...\n & + 1.3000D-01 * RXRAT( 796 ) ! HOCCHO+OH=0.1300D+00*GLY+...\n & + 2.7500D-01 * RXRAT( 814 ) ! IEPOXOO+HO2=0.2750D+00*GLY+...\n & + 2.7500D-01 * RXRAT( 815 ) ! IEPOXOO+NO=0.2750D+00*GLY+...\n & + 1.3800D-01 * RXRAT( 816 ) ! IEPOXOO+MEO2=0.1380D+...\n & + 1.3800D-01 * RXRAT( 817 ) ! IEPOXOO+RO2C=0.1380D+...\n & + 2.7500D-01 * RXRAT( 818 ) ! IEPOXOO+MECO3=0.2750D+...\n & + RXRAT( 867 ) ! xGLY+IMACO3=GLY+IMACO3\n LOSS( GLY ) = RXRAT( 220 ) ! GLY=0.2000D+01*CO+0.2000D+...\n & + RXRAT( 221 ) ! GLY=HCHO+CO\n & + RXRAT( 222 ) ! GLY+OH=0.7000D+00*HO2+...\n & + RXRAT( 223 ) ! GLY+NO3=HNO3+0.7000D+...\n & + RXRAT( 617 ) ! GLY+CL=HCL+0.6300D+00*HO2+...\n & + RXRAT( 928 ) ! GLY=AGLYJ\n\n PROD( AFG1 ) = 5.0000D-01 * RXRAT( 219 ) ! RAOOH=0.5000D+00*AFG1+HO2+...\n & + 3.5000D-01 * RXRAT( 243 ) ! AFG3+O3=0.3500D+00*AFG1+...\n & + RXRAT( 371 ) ! xAFG1+NO=AFG1+NO\n & + RXRAT( 373 ) ! xAFG1+NO3=AFG1+NO3\n & + 5.0000D-01 * RXRAT( 374 ) ! xAFG1+MEO2=0.5000D+00*AFG1+...\n & + 5.0000D-01 * RXRAT( 375 ) ! xAFG1+RO2C=0.5000D+00*AFG1+...\n & + 5.0000D-01 * RXRAT( 376 ) ! xAFG1+RO2XC=0.5000D+...\n & + RXRAT( 377 ) ! xAFG1+MECO3=AFG1+MECO3\n & + RXRAT( 378 ) ! xAFG1+RCO3=AFG1+RCO3\n & + RXRAT( 379 ) ! xAFG1+BZCO3=AFG1+BZCO3\n & + RXRAT( 380 ) ! xAFG1+MACO3=AFG1+MACO3\n & + 4.2000D-02 * RXRAT( 626 ) ! IPRD+CL=0.4200D-01*AFG1+...\n & + RXRAT( 863 ) ! xAFG1+IMACO3=AFG1+IMACO3\n LOSS( AFG1 ) = RXRAT( 236 ) ! AFG1+OH=0.2170D+00*MACO3+...\n & + RXRAT( 237 ) ! AFG1+O3=0.8260D+00*OH+...\n & + RXRAT( 238 ) ! AFG1=0.1023D+01*HO2+...\n\n PROD( AFG2 ) = 5.0000D-01 * RXRAT( 219 ) ! RAOOH=0.5000D+00*AFG2+HO2+...\n & + 3.5000D-01 * RXRAT( 243 ) ! AFG3+O3=0.3500D+00*AFG2+...\n & + RXRAT( 381 ) ! xAFG2+NO=AFG2+NO\n & + RXRAT( 383 ) ! xAFG2+NO3=AFG2+NO3\n & + 5.0000D-01 * RXRAT( 384 ) ! xAFG2+MEO2=0.5000D+00*AFG2+...\n & + 5.0000D-01 * RXRAT( 385 ) ! xAFG2+RO2C=0.5000D+00*AFG2+...\n & + 5.0000D-01 * RXRAT( 386 ) ! xAFG2+RO2XC=0.5000D+...\n & + RXRAT( 387 ) ! xAFG2+MECO3=AFG2+MECO3\n & + RXRAT( 388 ) ! xAFG2+RCO3=AFG2+RCO3\n & + RXRAT( 389 ) ! xAFG2+BZCO3=AFG2+BZCO3\n & + RXRAT( 390 ) ! xAFG2+MACO3=AFG2+MACO3\n & + 4.2000D-02 * RXRAT( 626 ) ! IPRD+CL=0.4200D-01*AFG2+...\n & + RXRAT( 862 ) ! xAFG2+IMACO3=AFG2+IMACO3\n LOSS( AFG2 ) = RXRAT( 239 ) ! AFG2+OH=0.2170D+00*MACO3+...\n & + RXRAT( 240 ) ! AFG2+O3=0.8260D+00*OH+...\n & + RXRAT( 241 ) ! AFG2=PRD2\n\n PROD( HCOCO3 ) = 3.0000D-01 * RXRAT( 222 ) ! GLY+OH=0.3000D+00*HCOCO3+...\n & + 3.0000D-01 * RXRAT( 223 ) ! GLY+NO3=0.3000D+00*HCOCO3+...\n LOSS( HCOCO3 ) = RXRAT( 268 ) ! HCOCO3+NO=HO2+CO+CO2+NO2\n & + RXRAT( 269 ) ! HCOCO3+NO2=HO2+CO+CO2+NO3\n & + RXRAT( 270 ) ! HCOCO3+HO2=0.4400D+00*OH+...\n\n PROD( BACL ) = RXRAT( 351 ) ! xBACL+NO=BACL+NO\n & + RXRAT( 353 ) ! xBACL+NO3=BACL+NO3\n & + 5.0000D-01 * RXRAT( 354 ) ! xBACL+MEO2=0.5000D+00*BACL+...\n & + 5.0000D-01 * RXRAT( 355 ) ! xBACL+RO2C=0.5000D+00*BACL+...\n & + 5.0000D-01 * RXRAT( 356 ) ! xBACL+RO2XC=0.5000D+...\n & + RXRAT( 357 ) ! xBACL+MECO3=BACL+MECO3\n & + RXRAT( 358 ) ! xBACL+RCO3=BACL+RCO3\n & + RXRAT( 359 ) ! xBACL+BZCO3=BACL+BZCO3\n & + RXRAT( 360 ) ! xBACL+MACO3=BACL+MACO3\n & + 2.4000D-01 * RXRAT( 747 ) ! ISOPNB+O3=0.2400D+00*BACL+...\n & + RXRAT( 865 ) ! xBACL+IMACO3=BACL+IMACO3\n LOSS( BACL ) = RXRAT( 227 ) ! BACL=0.2000D+01*MECO3\n\n PROD( BALD ) = RXRAT( 361 ) ! xBALD+NO=BALD+NO\n & + RXRAT( 363 ) ! xBALD+NO3=BALD+NO3\n & + 5.0000D-01 * RXRAT( 364 ) ! xBALD+MEO2=0.5000D+00*BALD+...\n & + 5.0000D-01 * RXRAT( 365 ) ! xBALD+RO2C=0.5000D+00*BALD+...\n & + 5.0000D-01 * RXRAT( 366 ) ! xBALD+RO2XC=0.5000D+...\n & + RXRAT( 367 ) ! xBALD+MECO3=BALD+MECO3\n & + RXRAT( 368 ) ! xBALD+RCO3=BALD+RCO3\n & + RXRAT( 369 ) ! xBALD+BZCO3=BALD+BZCO3\n & + RXRAT( 370 ) ! xBALD+MACO3=BALD+MACO3\n & + RXRAT( 864 ) ! xBALD+IMACO3=BALD+IMACO3\n LOSS( BALD ) = RXRAT( 233 ) ! BALD+OH=BZCO3\n & + RXRAT( 234 ) ! BALD=\n & + RXRAT( 235 ) ! BALD+NO3=HNO3+BZCO3\n & + RXRAT( 620 ) ! BALD+CL=HCL+BZCO3\n\n PROD( AFG3 ) = RXRAT( 391 ) ! xAFG3+NO=AFG3+NO\n & + RXRAT( 393 ) ! xAFG3+NO3=AFG3+NO3\n & + 5.0000D-01 * RXRAT( 394 ) ! xAFG3+MEO2=0.5000D+00*AFG3+...\n & + 5.0000D-01 * RXRAT( 395 ) ! xAFG3+RO2C=0.5000D+00*AFG3+...\n & + 5.0000D-01 * RXRAT( 396 ) ! xAFG3+RO2XC=0.5000D+...\n & + RXRAT( 397 ) ! xAFG3+MECO3=AFG3+MECO3\n & + RXRAT( 398 ) ! xAFG3+RCO3=AFG3+RCO3\n & + RXRAT( 399 ) ! xAFG3+BZCO3=AFG3+BZCO3\n & + RXRAT( 400 ) ! xAFG3+MACO3=AFG3+MACO3\n & + 1.1600D-01 * RXRAT( 544 ) ! BENZENE+OH=0.1160D+00*AFG3+...\n & + 3.1200D-01 * RXRAT( 545 ) ! TOLUENE+OH=0.3120D+00*AFG3+...\n & + 2.3900D-01 * RXRAT( 546 ) ! MXYL+OH=0.2390D+00*AFG3+...\n & + 1.9800D-01 * RXRAT( 547 ) ! OXYL+OH=0.1980D+00*AFG3+...\n & + 2.7800D-01 * RXRAT( 548 ) ! PXYL+OH=0.2780D+00*AFG3+...\n & + 2.3000D-01 * RXRAT( 549 ) ! TMBENZ124+OH=0.2300D+...\n & + 2.0200D-01 * RXRAT( 565 ) ! ARO1+OH=0.2020D+00*AFG3+...\n & + 1.7800D-01 * RXRAT( 566 ) ! ARO2MN+OH=0.1780D+00*AFG3+...\n & + 1.7800D-01 * RXRAT( 567 ) ! NAPHTHAL+OH=0.1780D+...\n & + RXRAT( 861 ) ! xAFG3+IMACO3=AFG3+IMACO3\n LOSS( AFG3 ) = RXRAT( 242 ) ! AFG3+OH=0.2060D+00*MACO3+...\n & + 8.6100D-01 * RXRAT( 243 ) ! AFG3+O3=0.1390D+00*AFG3+...\n\n PROD( xIPRD ) = 2.3100D-01 * RXRAT( 242 ) ! AFG3+OH=0.2310D+00*xIPRD+...\n & + 4.7100D-01 * RXRAT( 532 ) ! BUTADIENE13+OH=0.4710D+...\n & + 1.2000D-01 * RXRAT( 534 ) ! BUTADIENE13+NO3=0.1200D+...\n & + 9.0000D-03 * RXRAT( 557 ) ! OLE1+OH=0.9000D-02*xIPRD+...\n & + 1.2000D-02 * RXRAT( 561 ) ! OLE2+OH=0.1200D-01*xIPRD+...\n & + 2.0000D-03 * RXRAT( 568 ) ! TERP+OH=0.2000D-02*xIPRD+...\n & + 1.0000D-03 * RXRAT( 569 ) ! TERP+O3=0.1000D-02*xIPRD+...\n & + 2.0000D-03 * RXRAT( 583 ) ! SESQ+OH=0.2000D-02*xIPRD+...\n & + 1.0000D-03 * RXRAT( 584 ) ! SESQ+O3=0.1000D-02*xIPRD+...\n & + 4.0000D-03 * RXRAT( 585 ) ! SESQ+NO3=0.4000D-02*xIPRD+...\n & + 1.1500D-01 * RXRAT( 626 ) ! IPRD+CL=0.1150D+00*xIPRD+...\n & + 4.7300D-01 * RXRAT( 664 ) ! BUTADIENE13+CL=0.4730D+...\n & + 6.7100D-01 * RXRAT( 665 ) ! ISOPRENE+CL=0.6710D+...\n & + 1.5800D-01 * RXRAT( 666 ) ! APIN+CL=0.1580D+00*xIPRD+...\n & + 3.8000D-02 * RXRAT( 679 ) ! OLE1+CL=0.3800D-01*xIPRD+...\n & + 1.6100D-01 * RXRAT( 680 ) ! OLE2+CL=0.1610D+00*xIPRD+...\n & + 1.5800D-01 * RXRAT( 684 ) ! TERP+CL=0.1580D+00*xIPRD+...\n & + 1.5800D-01 * RXRAT( 685 ) ! SESQ+CL=0.1580D+00*xIPRD+...\n & + 8.2000D-02 * RXRAT( 826 ) ! MACR+CL=0.8200D-01*xIPRD+...\n LOSS( xIPRD ) = RXRAT( 421 ) ! xIPRD+NO=NO+IPRD\n & + RXRAT( 422 ) ! xIPRD+HO2=HO2\n & + RXRAT( 423 ) ! xIPRD+NO3=NO3+IPRD\n & + RXRAT( 424 ) ! xIPRD+MEO2=MEO2+0.5000D+...\n & + RXRAT( 425 ) ! xIPRD+RO2C=RO2C+0.5000D+...\n & + RXRAT( 426 ) ! xIPRD+RO2XC=RO2XC+0.5000D+...\n & + RXRAT( 427 ) ! xIPRD+MECO3=MECO3+IPRD\n & + RXRAT( 428 ) ! xIPRD+RCO3=RCO3+IPRD\n & + RXRAT( 429 ) ! xIPRD+BZCO3=BZCO3+IPRD\n & + RXRAT( 430 ) ! xIPRD+MACO3=MACO3+IPRD\n & + RXRAT( 858 ) ! xIPRD+IMACO3=IMACO3+IPRD\n\n PROD( MACR ) = 3.0000D-03 * RXRAT( 243 ) ! AFG3+O3=0.3000D-02*MACR+...\n & + RXRAT( 401 ) ! xMACR+NO=MACR+NO\n & + RXRAT( 403 ) ! xMACR+NO3=MACR+NO3\n & + 5.0000D-01 * RXRAT( 404 ) ! xMACR+MEO2=0.5000D+00*MACR+...\n & + 5.0000D-01 * RXRAT( 405 ) ! xMACR+RO2C=0.5000D+00*MACR+...\n & + 5.0000D-01 * RXRAT( 406 ) ! xMACR+RO2XC=0.5000D+...\n & + RXRAT( 407 ) ! xMACR+MECO3=MACR+MECO3\n & + RXRAT( 408 ) ! xMACR+RCO3=MACR+RCO3\n & + RXRAT( 409 ) ! xMACR+BZCO3=MACR+BZCO3\n & + RXRAT( 410 ) ! xMACR+MACO3=MACR+MACO3\n & + 3.9000D-01 * RXRAT( 536 ) ! ISOPRENE+O3=0.3900D+...\n & + 5.0000D-03 * RXRAT( 571 ) ! TERPNRO2+NO=0.5000D-...\n & + 9.0000D-03 * RXRAT( 573 ) ! TERPNRO2+NO3=0.9000D-...\n & + 5.0000D-03 * RXRAT( 574 ) ! TERPNRO2+MEO2=0.5000D-...\n & + 5.0000D-03 * RXRAT( 575 ) ! TERPNRO2+RO2C=0.5000D-...\n & + 5.0000D-03 * RXRAT( 576 ) ! TERPNRO2+RO2XC=0.5000D-...\n & + 9.0000D-03 * RXRAT( 577 ) ! TERPNRO2+MECO3=0.9000D-...\n & + 9.0000D-03 * RXRAT( 578 ) ! TERPNRO2+RCO3=0.9000D-...\n & + 9.0000D-03 * RXRAT( 579 ) ! TERPNRO2+BZCO3=0.9000D-...\n & + 9.0000D-03 * RXRAT( 580 ) ! TERPNRO2+MACO3=0.9000D-...\n & + 9.0000D-03 * RXRAT( 581 ) ! TERPNRO2+IMACO3=0.9000D-...\n & + 2.6000D-01 * RXRAT( 710 ) ! ISOPO2+NO=0.2600D+00*MACR+...\n & + 4.7000D-02 * RXRAT( 711 ) ! ISOPO2+HO2=0.4700D-01*MACR+...\n & + 1.5000D-01 * RXRAT( 712 ) ! ISOPO2+MEO2=0.1500D+...\n & + 1.5000D-01 * RXRAT( 713 ) ! ISOPO2+RO2C=0.1500D+...\n & + 2.9000D-01 * RXRAT( 714 ) ! ISOPO2+ISOPO2=0.2900D+...\n & + 2.9000D-01 * RXRAT( 715 ) ! ISOPO2+MECO3=0.2900D+...\n & + 3.5000D-02 * RXRAT( 720 ) ! NISOPO2+NO3=0.3500D-...\n & + 3.5000D-02 * RXRAT( 721 ) ! NISOPO2+NO=0.3500D-01*MACR+...\n & + 1.7500D-02 * RXRAT( 723 ) ! NISOPO2+MEO2=0.1750D-...\n & + 1.7500D-02 * RXRAT( 724 ) ! NISOPO2+RO2C=0.1750D-...\n & + 3.5000D-02 * RXRAT( 725 ) ! NISOPO2+NISOPO2=0.3500D-...\n & + 3.5000D-02 * RXRAT( 726 ) ! NISOPO2+MECO3=0.3500D-...\n & + 2.9000D-01 * RXRAT( 819 ) ! ISOPOOH=0.2900D+00*MACR+...\n & + RXRAT( 860 ) ! xMACR+IMACO3=MACR+IMACO3\n LOSS( MACR ) = RXRAT( 244 ) ! MACR+O3=0.2080D+00*OH+...\n & + RXRAT( 245 ) ! MACR+O3P=RCHO\n & + RXRAT( 823 ) ! MACR+OH=0.5300D+00*MACROO+...\n & + RXRAT( 824 ) ! MACR+NO3=0.5000D+00*IMACO3+...\n & + RXRAT( 825 ) ! MACR=0.3300D+00*OH+0.6700D+...\n & + RXRAT( 826 ) ! MACR+CL=0.2500D+00*HCL+...\n\n PROD( MVK ) = 4.0000D-03 * RXRAT( 243 ) ! AFG3+O3=0.4000D-02*MVK+...\n & + RXRAT( 411 ) ! xMVK+NO=MVK+NO\n & + RXRAT( 413 ) ! xMVK+NO3=MVK+NO3\n & + 5.0000D-01 * RXRAT( 414 ) ! xMVK+MEO2=0.5000D+00*MVK+MEO2\n & + 5.0000D-01 * RXRAT( 415 ) ! xMVK+RO2C=0.5000D+00*MVK+RO2C\n & + 5.0000D-01 * RXRAT( 416 ) ! xMVK+RO2XC=0.5000D+00*MVK+...\n & + RXRAT( 417 ) ! xMVK+MECO3=MVK+MECO3\n & + RXRAT( 418 ) ! xMVK+RCO3=MVK+RCO3\n & + RXRAT( 419 ) ! xMVK+BZCO3=MVK+BZCO3\n & + RXRAT( 420 ) ! xMVK+MACO3=MVK+MACO3\n & + 3.7500D-01 * RXRAT( 533 ) ! BUTADIENE13+O3=0.3750D+...\n & + 1.6000D-01 * RXRAT( 536 ) ! ISOPRENE+O3=0.1600D+00*MVK+...\n & + 1.0000D-03 * RXRAT( 571 ) ! TERPNRO2+NO=0.1000D-02*MVK+...\n & + 2.0000D-03 * RXRAT( 573 ) ! TERPNRO2+NO3=0.2000D-...\n & + 1.0000D-03 * RXRAT( 574 ) ! TERPNRO2+MEO2=0.1000D-...\n & + 1.0000D-03 * RXRAT( 575 ) ! TERPNRO2+RO2C=0.1000D-...\n & + 1.0000D-03 * RXRAT( 576 ) ! TERPNRO2+RO2XC=0.1000D-...\n & + 2.0000D-03 * RXRAT( 577 ) ! TERPNRO2+MECO3=0.2000D-...\n & + 2.0000D-03 * RXRAT( 578 ) ! TERPNRO2+RCO3=0.2000D-...\n & + 2.0000D-03 * RXRAT( 579 ) ! TERPNRO2+BZCO3=0.2000D-...\n & + 2.0000D-03 * RXRAT( 580 ) ! TERPNRO2+MACO3=0.2000D-...\n & + 2.0000D-03 * RXRAT( 581 ) ! TERPNRO2+IMACO3=0.2000D-...\n & + 4.0000D-01 * RXRAT( 710 ) ! ISOPO2+NO=0.4000D+00*MVK+...\n & + 7.3000D-02 * RXRAT( 711 ) ! ISOPO2+HO2=0.7300D-01*MVK+...\n & + 2.3000D-01 * RXRAT( 712 ) ! ISOPO2+MEO2=0.2300D+00*MVK+...\n & + 2.3000D-01 * RXRAT( 713 ) ! ISOPO2+RO2C=0.2300D+00*MVK+...\n & + 4.5000D-01 * RXRAT( 714 ) ! ISOPO2+ISOPO2=0.4500D+...\n & + 4.5000D-01 * RXRAT( 715 ) ! ISOPO2+MECO3=0.4500D+...\n & + 3.5000D-02 * RXRAT( 720 ) ! NISOPO2+NO3=0.3500D-01*MVK+...\n & + 3.5000D-02 * RXRAT( 721 ) ! NISOPO2+NO=0.3500D-01*MVK+...\n & + 1.7500D-02 * RXRAT( 723 ) ! NISOPO2+MEO2=0.1750D-...\n & + 1.7500D-02 * RXRAT( 724 ) ! NISOPO2+RO2C=0.1750D-...\n & + 3.5000D-02 * RXRAT( 725 ) ! NISOPO2+NISOPO2=0.3500D-...\n & + 3.5000D-02 * RXRAT( 726 ) ! NISOPO2+MECO3=0.3500D-...\n & + 4.5000D-01 * RXRAT( 819 ) ! ISOPOOH=0.4500D+00*MVK+...\n & + RXRAT( 859 ) ! xMVK+IMACO3=MVK+IMACO3\n LOSS( MVK ) = RXRAT( 246 ) ! MVK+O3=0.1640D+00*OH+...\n & + RXRAT( 247 ) ! MVK+O3P=0.4500D+00*RCHO+...\n & + RXRAT( 248 ) ! MVK=0.4000D+00*MEO2+...\n & + RXRAT( 625 ) ! MVK+CL=0.1283D+01*RO2C+...\n & + RXRAT( 774 ) ! MVK+OH=MVKOO\n\n PROD( xHOCCHO ) = 1.2900D-01 * RXRAT( 249 ) ! IPRD+OH=0.1290D+00*xHOCCHO+...\n & + 4.7000D-02 * RXRAT( 250 ) ! IPRD+O3=0.4700D-01*xHOCCHO+...\n & + 1.9500D-01 * RXRAT( 524 ) ! ETHENE+OH=0.1950D+...\n & + 1.0000D-02 * RXRAT( 550 ) ! ETOH+OH=0.1000D-01*xHOCCHO+...\n & + 7.0000D-03 * RXRAT( 557 ) ! OLE1+OH=0.7000D-02*xHOCCHO+...\n & + 6.1000D-02 * RXRAT( 673 ) ! ETOH+CL=0.6100D-01*xHOCCHO+...\n LOSS( xHOCCHO ) = RXRAT( 503 ) ! xHOCCHO+NO=NO+HOCCHO\n & + RXRAT( 504 ) ! xHOCCHO+HO2=HO2\n & + RXRAT( 505 ) ! xHOCCHO+NO3=NO3+HOCCHO\n & + RXRAT( 506 ) ! xHOCCHO+MEO2=MEO2+0.5000D+...\n & + RXRAT( 507 ) ! xHOCCHO+RO2C=RO2C+0.5000D+...\n & + RXRAT( 508 ) ! xHOCCHO+RO2XC=RO2XC+...\n & + RXRAT( 509 ) ! xHOCCHO+MECO3=MECO3+HOCCHO\n & + RXRAT( 510 ) ! xHOCCHO+RCO3=RCO3+HOCCHO\n & + RXRAT( 511 ) ! xHOCCHO+BZCO3=BZCO3+HOCCHO\n & + RXRAT( 512 ) ! xHOCCHO+MACO3=MACO3+HOCCHO\n & + RXRAT( 852 ) ! xHOCCHO+IMACO3=IMACO3+HOCCHO\n\n PROD( xRNO3 ) = 5.7200D-01 * RXRAT( 251 ) ! IPRD+NO3=0.5720D+00*xRNO3+...\n & + 3.0500D-01 * RXRAT( 255 ) ! RNO3+OH=0.3050D+00*xRNO3+...\n & + 3.1000D-02 * RXRAT( 261 ) ! ACROLEIN+NO3=0.3100D-...\n & + 3.5500D-01 * RXRAT( 534 ) ! BUTADIENE13+NO3=0.3550D+...\n & + 5.6000D-02 * RXRAT( 540 ) ! APIN+NO3=0.5600D-01*xRNO3+...\n & + 7.7400D-01 * RXRAT( 559 ) ! OLE1+NO3=0.7740D+00*xRNO3+...\n & + 3.2000D-01 * RXRAT( 563 ) ! OLE2+NO3=0.3200D+00*xRNO3+...\n & + 2.2800D-01 * RXRAT( 585 ) ! SESQ+NO3=0.2280D+00*xRNO3+...\n & + 5.4700D-01 * RXRAT( 615 ) ! RNO3+CL=0.5470D+00*xRNO3+...\n LOSS( xRNO3 ) = RXRAT( 431 ) ! xRNO3+NO=NO+RNO3\n & + RXRAT( 432 ) ! xRNO3+HO2=HO2\n & + RXRAT( 433 ) ! xRNO3+NO3=NO3+RNO3\n & + RXRAT( 434 ) ! xRNO3+MEO2=MEO2+0.5000D+...\n & + RXRAT( 435 ) ! xRNO3+RO2C=RO2C+0.5000D+...\n & + RXRAT( 436 ) ! xRNO3+RO2XC=RO2XC+0.5000D+...\n & + RXRAT( 437 ) ! xRNO3+MECO3=MECO3+RNO3\n & + RXRAT( 438 ) ! xRNO3+RCO3=RCO3+RNO3\n & + RXRAT( 439 ) ! xRNO3+BZCO3=BZCO3+RNO3\n & + RXRAT( 440 ) ! xRNO3+MACO3=MACO3+RNO3\n & + RXRAT( 857 ) ! xRNO3+IMACO3=IMACO3+RNO3\n\n PROD( HOCCHO ) = 4.6700D-01 * RXRAT( 252 ) ! IPRD=0.4670D+00*HOCCHO+...\n & + RXRAT( 503 ) ! xHOCCHO+NO=HOCCHO+NO\n & + RXRAT( 505 ) ! xHOCCHO+NO3=HOCCHO+NO3\n & + 5.0000D-01 * RXRAT( 506 ) ! xHOCCHO+MEO2=0.5000D+...\n & + 5.0000D-01 * RXRAT( 507 ) ! xHOCCHO+RO2C=0.5000D+...\n & + 5.0000D-01 * RXRAT( 508 ) ! xHOCCHO+RO2XC=0.5000D+...\n & + RXRAT( 509 ) ! xHOCCHO+MECO3=HOCCHO+MECO3\n & + RXRAT( 510 ) ! xHOCCHO+RCO3=HOCCHO+RCO3\n & + RXRAT( 511 ) ! xHOCCHO+BZCO3=HOCCHO+BZCO3\n & + RXRAT( 512 ) ! xHOCCHO+MACO3=HOCCHO+MACO3\n & + 2.0000D-03 * RXRAT( 571 ) ! TERPNRO2+NO=0.2000D-...\n & + 4.0000D-03 * RXRAT( 573 ) ! TERPNRO2+NO3=0.4000D-...\n & + 2.0000D-03 * RXRAT( 574 ) ! TERPNRO2+MEO2=0.2000D-...\n & + 2.0000D-03 * RXRAT( 575 ) ! TERPNRO2+RO2C=0.2000D-...\n & + 2.0000D-03 * RXRAT( 576 ) ! TERPNRO2+RO2XC=0.2000D-...\n & + 4.0000D-03 * RXRAT( 577 ) ! TERPNRO2+MECO3=0.4000D-...\n & + 4.0000D-03 * RXRAT( 578 ) ! TERPNRO2+RCO3=0.4000D-...\n & + 4.0000D-03 * RXRAT( 579 ) ! TERPNRO2+BZCO3=0.4000D-...\n & + 4.0000D-03 * RXRAT( 580 ) ! TERPNRO2+MACO3=0.4000D-...\n & + 4.0000D-03 * RXRAT( 581 ) ! TERPNRO2+IMACO3=0.4000D-...\n & + 2.5000D-01 * RXRAT( 717 ) ! HPALD=0.2500D+00*HOCCHO+...\n & + 2.3400D-01 * RXRAT( 728 ) ! HC5OO+NO=0.2340D+00*HOCCHO+...\n & + 1.1700D-01 * RXRAT( 730 ) ! HC5OO+MEO2=0.1170D+...\n & + 1.1700D-01 * RXRAT( 731 ) ! HC5OO+RO2C=0.1170D+...\n & + 2.3400D-01 * RXRAT( 732 ) ! HC5OO+MECO3=0.2340D+...\n & + 3.5000D-01 * RXRAT( 733 ) ! HC5+O3=0.3500D+00*HOCCHO+...\n & + 1.5000D-01 * RXRAT( 735 ) ! ISOPNOOD+NO=0.1500D+...\n & + 7.5000D-02 * RXRAT( 737 ) ! ISOPNOOD+MEO2=0.7500D-...\n & + 7.5000D-02 * RXRAT( 738 ) ! ISOPNOOD+RO2C=0.7500D-...\n & + 1.5000D-01 * RXRAT( 739 ) ! ISOPNOOD+MECO3=0.1500D+...\n & + 3.4000D-01 * RXRAT( 740 ) ! ISOPND+O3=0.3400D+...\n & + 6.0000D-01 * RXRAT( 742 ) ! ISOPNOOB+NO=0.6000D+...\n & + 3.0000D-01 * RXRAT( 744 ) ! ISOPNOOB+MEO2=0.3000D+...\n & + 3.0000D-01 * RXRAT( 745 ) ! ISOPNOOB+RO2C=0.3000D+...\n & + 6.0000D-01 * RXRAT( 746 ) ! ISOPNOOB+MECO3=0.6000D+...\n & + 5.2000D-01 * RXRAT( 769 ) ! DIBOO+NO=0.5200D+00*HOCCHO+...\n & + 2.6000D-01 * RXRAT( 771 ) ! DIBOO+MEO2=0.2600D+...\n & + 2.6000D-01 * RXRAT( 772 ) ! DIBOO+RO2C=0.2600D+...\n & + 5.2000D-01 * RXRAT( 773 ) ! DIBOO+MECO3=0.5200D+...\n & + 6.2500D-01 * RXRAT( 775 ) ! MVKOO+NO=0.6250D+00*HOCCHO+...\n & + 3.5000D-01 * RXRAT( 777 ) ! MVKOO+MEO2=0.3500D+...\n & + 3.5000D-01 * RXRAT( 778 ) ! MVKOO+RO2C=0.3500D+...\n & + 7.0000D-01 * RXRAT( 779 ) ! MVKOO+MECO3=0.7000D+...\n & + RXRAT( 806 ) ! MVKN=HOCCHO+NO2+MECO3\n & + 2.7500D-01 * RXRAT( 814 ) ! IEPOXOO+HO2=0.2750D+...\n & + 2.7500D-01 * RXRAT( 815 ) ! IEPOXOO+NO=0.2750D+...\n & + 1.3800D-01 * RXRAT( 816 ) ! IEPOXOO+MEO2=0.1380D+...\n & + 1.3800D-01 * RXRAT( 817 ) ! IEPOXOO+RO2C=0.1380D+...\n & + 2.7500D-01 * RXRAT( 818 ) ! IEPOXOO+MECO3=0.2750D+...\n & + RXRAT( 852 ) ! xHOCCHO+IMACO3=HOCCHO+IMACO3\n LOSS( HOCCHO ) = RXRAT( 257 ) ! HOCCHO=CO+0.2000D+01*HO2+HCHO\n & + RXRAT( 258 ) ! HOCCHO+NO3=HNO3+MECO3\n & + RXRAT( 796 ) ! HOCCHO+OH=0.7500D+00*HO2+...\n\n PROD( xACETONE ) = 4.0000D-03 * RXRAT( 255 ) ! RNO3+OH=0.4000D-...\n & + 8.0000D-03 * RXRAT( 256 ) ! RNO3=0.8000D-02*xACETONE+...\n & + 3.4000D-02 * RXRAT( 538 ) ! APIN+OH=0.3400D-...\n & + 3.4500D-01 * RXRAT( 539 ) ! APIN+O3=0.3450D+...\n & + 6.9000D-02 * RXRAT( 540 ) ! APIN+NO3=0.6900D-...\n & + 7.0400D-01 * RXRAT( 552 ) ! ALK2+OH=0.7040D+...\n & + 2.4000D-02 * RXRAT( 553 ) ! ALK3+OH=0.2400D-...\n & + 4.2600D-01 * RXRAT( 554 ) ! ALK4+OH=0.4260D+...\n & + 7.1000D-02 * RXRAT( 555 ) ! ALK5+OH=0.7100D-...\n & + 7.0000D-03 * RXRAT( 557 ) ! OLE1+OH=0.7000D-...\n & + 3.0000D-03 * RXRAT( 558 ) ! OLE1+O3=0.3000D-...\n & + 3.4000D-02 * RXRAT( 559 ) ! OLE1+NO3=0.3400D-...\n & + 1.4400D-01 * RXRAT( 561 ) ! OLE2+OH=0.1440D+...\n & + 1.1600D-01 * RXRAT( 563 ) ! OLE2+NO3=0.1160D+...\n & + 3.7000D-02 * RXRAT( 568 ) ! TERP+OH=0.3700D-...\n & + 5.7000D-02 * RXRAT( 569 ) ! TERP+O3=0.5700D-...\n & + 3.7000D-02 * RXRAT( 583 ) ! SESQ+OH=0.3700D-...\n & + 5.7000D-02 * RXRAT( 584 ) ! SESQ+O3=0.5700D-...\n & + 2.3900D-01 * RXRAT( 585 ) ! SESQ+NO3=0.2390D+...\n & + 3.0000D-03 * RXRAT( 615 ) ! RNO3+CL=0.3000D-...\n & + 2.7400D-01 * RXRAT( 666 ) ! APIN+CL=0.2740D+...\n & + 4.8800D-01 * RXRAT( 675 ) ! ALK2+CL=0.4880D+...\n & + 7.5000D-02 * RXRAT( 676 ) ! ALK3+CL=0.7500D-...\n & + 2.4700D-01 * RXRAT( 677 ) ! ALK4+CL=0.2470D+...\n & + 4.4000D-02 * RXRAT( 678 ) ! ALK5+CL=0.4400D-...\n & + 8.6000D-02 * RXRAT( 680 ) ! OLE2+CL=0.8600D-...\n & + 2.7400D-01 * RXRAT( 684 ) ! TERP+CL=0.2740D+...\n & + 2.7400D-01 * RXRAT( 685 ) ! SESQ+CL=0.2740D+...\n & + 3.0000D-03 * RXRAT( 881 ) ! MTNO3+CL=0.3000D-...\n & + 4.0000D-03 * RXRAT( 882 ) ! MTNO3+OH=0.4000D-...\n & + 8.0000D-03 * RXRAT( 883 ) ! MTNO3=0.8000D-02*xACETONE+...\n LOSS( xACETONE ) = RXRAT( 301 ) ! xACETONE+NO=NO+ACETONE\n & + RXRAT( 302 ) ! xACETONE+HO2=HO2\n & + RXRAT( 303 ) ! xACETONE+NO3=NO3+ACETONE\n & + RXRAT( 304 ) ! xACETONE+MEO2=MEO2+0.5000D+...\n & + RXRAT( 305 ) ! xACETONE+RO2C=RO2C+0.5000D+...\n & + RXRAT( 306 ) ! xACETONE+RO2XC=RO2XC+...\n & + RXRAT( 307 ) ! xACETONE+MECO3=MECO3+ACETONE\n & + RXRAT( 308 ) ! xACETONE+RCO3=RCO3+ACETONE\n & + RXRAT( 309 ) ! xACETONE+BZCO3=BZCO3+ACETONE\n & + RXRAT( 310 ) ! xACETONE+MACO3=MACO3+ACETONE\n & + RXRAT( 870 ) ! xACETONE+IMACO3=IMACO3+ACETONE\n\n PROD( ACROLEIN ) = RXRAT( 513 ) ! xACROLEIN+NO=ACROLEIN+NO\n & + RXRAT( 515 ) ! xACROLEIN+NO3=ACROLEIN+NO3\n & + 5.0000D-01 * RXRAT( 516 ) ! xACROLEIN+MEO2=0.5000D+...\n & + 5.0000D-01 * RXRAT( 517 ) ! xACROLEIN+RO2C=0.5000D+...\n & + 5.0000D-01 * RXRAT( 518 ) ! xACROLEIN+RO2XC=0.5000D+...\n & + RXRAT( 519 ) ! xACROLEIN+MECO3=ACROLEIN+MECO3\n & + RXRAT( 520 ) ! xACROLEIN+RCO3=ACROLEIN+RCO3\n & + RXRAT( 521 ) ! xACROLEIN+BZCO3=ACROLEIN+BZCO3\n & + RXRAT( 522 ) ! xACROLEIN+MACO3=ACROLEIN+MACO3\n & + 5.0000D-01 * RXRAT( 533 ) ! BUTADIENE13+O3=0.5000D+...\n & + RXRAT( 851 ) ! xACROLEIN+IMACO3=ACROLEIN+...\n LOSS( ACROLEIN ) = RXRAT( 259 ) ! ACROLEIN+OH=0.2500D+...\n & + RXRAT( 260 ) ! ACROLEIN+O3=0.8300D+00*HO2+...\n & + RXRAT( 261 ) ! ACROLEIN+NO3=0.3100D-...\n & + RXRAT( 262 ) ! ACROLEIN+O3P=RCHO\n & + RXRAT( 263 ) ! ACROLEIN=0.1066D+01*HO2+...\n & + RXRAT( 624 ) ! ACROLEIN+CL=0.4840D+...\n\n PROD( xBALD ) = 6.5000D-02 * RXRAT( 545 ) ! TOLUENE+OH=0.6500D-...\n & + 4.1000D-02 * RXRAT( 546 ) ! MXYL+OH=0.4100D-01*xBALD+...\n & + 4.7000D-02 * RXRAT( 547 ) ! OXYL+OH=0.4700D-01*xBALD+...\n & + 8.8000D-02 * RXRAT( 548 ) ! PXYL+OH=0.8800D-01*xBALD+...\n & + 3.6000D-02 * RXRAT( 549 ) ! TMBENZ124+OH=0.3600D-...\n & + 2.6000D-02 * RXRAT( 566 ) ! ARO2MN+OH=0.2600D-01*xBALD+...\n & + 2.6000D-02 * RXRAT( 567 ) ! NAPHTHAL+OH=0.2600D-...\n & + RXRAT( 619 ) ! CRES+CL=xBALD+xHO2+HCL+yR6OOH\n & + 8.9400D-01 * RXRAT( 668 ) ! TOLUENE+CL=0.8940D+...\n & + 8.6400D-01 * RXRAT( 669 ) ! MXYL+CL=0.8640D+00*xBALD+...\n & + 8.6400D-01 * RXRAT( 670 ) ! OXYL+CL=0.8640D+00*xBALD+...\n & + 8.6400D-01 * RXRAT( 671 ) ! PXYL+CL=0.8640D+00*xBALD+...\n & + 8.3800D-01 * RXRAT( 672 ) ! TMBENZ124+CL=0.8380D+...\n & + 4.6900D-01 * RXRAT( 682 ) ! ARO2MN+CL=0.4690D+00*xBALD+...\n & + 4.6900D-01 * RXRAT( 683 ) ! NAPHTHAL+CL=0.4690D+...\n LOSS( xBALD ) = RXRAT( 361 ) ! xBALD+NO=NO+BALD\n & + RXRAT( 362 ) ! xBALD+HO2=HO2\n & + RXRAT( 363 ) ! xBALD+NO3=NO3+BALD\n & + RXRAT( 364 ) ! xBALD+MEO2=MEO2+0.5000D+...\n & + RXRAT( 365 ) ! xBALD+RO2C=RO2C+0.5000D+...\n & + RXRAT( 366 ) ! xBALD+RO2XC=RO2XC+0.5000D+...\n & + RXRAT( 367 ) ! xBALD+MECO3=MECO3+BALD\n & + RXRAT( 368 ) ! xBALD+RCO3=RCO3+BALD\n & + RXRAT( 369 ) ! xBALD+BZCO3=BZCO3+BALD\n & + RXRAT( 370 ) ! xBALD+MACO3=MACO3+BALD\n & + RXRAT( 864 ) ! xBALD+IMACO3=IMACO3+BALD\n\n PROD( xAFG3 ) = 2.8600D-01 * RXRAT( 548 ) ! PXYL+OH=0.2860D+00*xAFG3+...\n & + 1.5100D-01 * RXRAT( 549 ) ! TMBENZ124+OH=0.1510D+...\n & + 6.8000D-02 * RXRAT( 566 ) ! ARO2MN+OH=0.6800D-01*xAFG3+...\n & + 6.8000D-02 * RXRAT( 567 ) ! NAPHTHAL+OH=0.6800D-...\n & + 1.0000D-03 * RXRAT( 666 ) ! APIN+CL=0.1000D-02*xAFG3+...\n & + 1.0000D-03 * RXRAT( 684 ) ! TERP+CL=0.1000D-02*xAFG3+...\n & + 1.0000D-03 * RXRAT( 685 ) ! SESQ+CL=0.1000D-02*xAFG3+...\n LOSS( xAFG3 ) = RXRAT( 391 ) ! xAFG3+NO=NO+AFG3\n & + RXRAT( 392 ) ! xAFG3+HO2=HO2\n & + RXRAT( 393 ) ! xAFG3+NO3=NO3+AFG3\n & + RXRAT( 394 ) ! xAFG3+MEO2=MEO2+0.5000D+...\n & + RXRAT( 395 ) ! xAFG3+RO2C=RO2C+0.5000D+...\n & + RXRAT( 396 ) ! xAFG3+RO2XC=RO2XC+0.5000D+...\n & + RXRAT( 397 ) ! xAFG3+MECO3=MECO3+AFG3\n & + RXRAT( 398 ) ! xAFG3+RCO3=RCO3+AFG3\n & + RXRAT( 399 ) ! xAFG3+BZCO3=BZCO3+AFG3\n & + RXRAT( 400 ) ! xAFG3+MACO3=MACO3+AFG3\n & + RXRAT( 861 ) ! xAFG3+IMACO3=IMACO3+AFG3\n\n PROD( xMACR ) = 1.0000D-03 * RXRAT( 557 ) ! OLE1+OH=0.1000D-02*xMACR+...\n & + 2.0000D-03 * RXRAT( 569 ) ! TERP+O3=0.2000D-02*xMACR+...\n & + 2.0000D-03 * RXRAT( 584 ) ! SESQ+O3=0.2000D-02*xMACR+...\n & + 5.0000D-03 * RXRAT( 585 ) ! SESQ+NO3=0.5000D-02*xMACR+...\n & + 2.5000D-02 * RXRAT( 680 ) ! OLE2+CL=0.2500D-01*xMACR+...\n LOSS( xMACR ) = RXRAT( 401 ) ! xMACR+NO=NO+MACR\n & + RXRAT( 402 ) ! xMACR+HO2=HO2\n & + RXRAT( 403 ) ! xMACR+NO3=NO3+MACR\n & + RXRAT( 404 ) ! xMACR+MEO2=MEO2+0.5000D+...\n & + RXRAT( 405 ) ! xMACR+RO2C=RO2C+0.5000D+...\n & + RXRAT( 406 ) ! xMACR+RO2XC=RO2XC+0.5000D+...\n & + RXRAT( 407 ) ! xMACR+MECO3=MECO3+MACR\n & + RXRAT( 408 ) ! xMACR+RCO3=RCO3+MACR\n & + RXRAT( 409 ) ! xMACR+BZCO3=BZCO3+MACR\n & + RXRAT( 410 ) ! xMACR+MACO3=MACO3+MACR\n & + RXRAT( 860 ) ! xMACR+IMACO3=IMACO3+MACR\n\n PROD( xMVK ) = 4.6000D-01 * RXRAT( 534 ) ! BUTADIENE13+NO3=0.4600D+...\n & + 1.2000D-02 * RXRAT( 557 ) ! OLE1+OH=0.1200D-01*xMVK+...\n & + 2.0000D-03 * RXRAT( 561 ) ! OLE2+OH=0.2000D-02*xMVK+...\n & + 3.0000D-03 * RXRAT( 568 ) ! TERP+OH=0.3000D-02*xMVK+...\n & + 3.0000D-03 * RXRAT( 583 ) ! SESQ+OH=0.3000D-02*xMVK+...\n & + 1.0000D-03 * RXRAT( 585 ) ! SESQ+NO3=0.1000D-02*xMVK+...\n & + 1.7700D-01 * RXRAT( 665 ) ! ISOPRENE+CL=0.1770D+...\n & + 3.0000D-03 * RXRAT( 666 ) ! APIN+CL=0.3000D-02*xMVK+...\n & + 1.9000D-02 * RXRAT( 679 ) ! OLE1+CL=0.1900D-01*xMVK+...\n & + 5.8000D-02 * RXRAT( 680 ) ! OLE2+CL=0.5800D-01*xMVK+...\n & + 3.0000D-03 * RXRAT( 684 ) ! TERP+CL=0.3000D-02*xMVK+...\n & + 3.0000D-03 * RXRAT( 685 ) ! SESQ+CL=0.3000D-02*xMVK+...\n LOSS( xMVK ) = RXRAT( 411 ) ! xMVK+NO=NO+MVK\n & + RXRAT( 412 ) ! xMVK+HO2=HO2\n & + RXRAT( 413 ) ! xMVK+NO3=NO3+MVK\n & + RXRAT( 414 ) ! xMVK+MEO2=MEO2+0.5000D+00*MVK\n & + RXRAT( 415 ) ! xMVK+RO2C=RO2C+0.5000D+00*MVK\n & + RXRAT( 416 ) ! xMVK+RO2XC=RO2XC+0.5000D+...\n & + RXRAT( 417 ) ! xMVK+MECO3=MECO3+MVK\n & + RXRAT( 418 ) ! xMVK+RCO3=RCO3+MVK\n & + RXRAT( 419 ) ! xMVK+BZCO3=BZCO3+MVK\n & + RXRAT( 420 ) ! xMVK+MACO3=MACO3+MVK\n & + RXRAT( 859 ) ! xMVK+IMACO3=IMACO3+MVK\n\n PROD( xMTNO3 ) = 5.4700D-01 * RXRAT( 881 ) ! MTNO3+CL=0.5470D+00*xMTNO3+...\n & + 3.0500D-01 * RXRAT( 882 ) ! MTNO3+OH=0.3050D+00*xMTNO3+...\n LOSS( xMTNO3 ) = RXRAT( 441 ) ! xMTNO3+NO=NO+MTNO3\n & + RXRAT( 442 ) ! xMTNO3+HO2=HO2\n & + RXRAT( 443 ) ! xMTNO3+NO3=NO3+MTNO3\n & + RXRAT( 444 ) ! xMTNO3+MEO2=MEO2+0.5000D+...\n & + RXRAT( 445 ) ! xMTNO3+RO2C=RO2C+0.5000D+...\n & + RXRAT( 446 ) ! xMTNO3+RO2XC=RO2XC+0.5000D+...\n & + RXRAT( 447 ) ! xMTNO3+MECO3=MECO3+MTNO3\n & + RXRAT( 448 ) ! xMTNO3+RCO3=RCO3+MTNO3\n & + RXRAT( 449 ) ! xMTNO3+BZCO3=BZCO3+MTNO3\n & + RXRAT( 450 ) ! xMTNO3+MACO3=MACO3+MTNO3\n & + RXRAT( 451 ) ! xMTNO3+IMACO3=MACO3+MTNO3\n\n PROD( MTNO3 ) = RXRAT( 441 ) ! xMTNO3+NO=MTNO3+NO\n & + RXRAT( 443 ) ! xMTNO3+NO3=MTNO3+NO3\n & + 5.0000D-01 * RXRAT( 444 ) ! xMTNO3+MEO2=0.5000D+...\n & + 5.0000D-01 * RXRAT( 445 ) ! xMTNO3+RO2C=0.5000D+...\n & + 5.0000D-01 * RXRAT( 446 ) ! xMTNO3+RO2XC=0.5000D+...\n & + RXRAT( 447 ) ! xMTNO3+MECO3=MTNO3+MECO3\n & + RXRAT( 448 ) ! xMTNO3+RCO3=MTNO3+RCO3\n & + RXRAT( 449 ) ! xMTNO3+BZCO3=MTNO3+BZCO3\n & + RXRAT( 450 ) ! xMTNO3+MACO3=MTNO3+MACO3\n & + RXRAT( 451 ) ! xMTNO3+IMACO3=MTNO3+MACO3\n & + RXRAT( 492 ) ! zMTNO3+NO=MTNO3+NO\n & + 6.8800D-01 * RXRAT( 571 ) ! TERPNRO2+NO=0.6880D+...\n & + RXRAT( 572 ) ! TERPNRO2+HO2=MTNO3\n & + 4.2200D-01 * RXRAT( 573 ) ! TERPNRO2+NO3=0.4220D+...\n & + 7.1100D-01 * RXRAT( 574 ) ! TERPNRO2+MEO2=0.7110D+...\n & + 7.1100D-01 * RXRAT( 575 ) ! TERPNRO2+RO2C=0.7110D+...\n & + 7.1100D-01 * RXRAT( 576 ) ! TERPNRO2+RO2XC=0.7110D+...\n & + 4.2200D-01 * RXRAT( 577 ) ! TERPNRO2+MECO3=0.4220D+...\n & + 4.2200D-01 * RXRAT( 578 ) ! TERPNRO2+RCO3=0.4220D+...\n & + 4.2200D-01 * RXRAT( 579 ) ! TERPNRO2+BZCO3=0.4220D+...\n & + 4.2200D-01 * RXRAT( 580 ) ! TERPNRO2+MACO3=0.4220D+...\n & + 4.2200D-01 * RXRAT( 581 ) ! TERPNRO2+IMACO3=0.4220D+...\n LOSS( MTNO3 ) = 9.4500D-01 * RXRAT( 881 ) ! MTNO3+CL=0.5500D-01*MTNO3+...\n & + 8.1100D-01 * RXRAT( 882 ) ! MTNO3+OH=0.1890D+00*MTNO3+...\n & + RXRAT( 883 ) ! MTNO3=0.3440D+00*HO2+...\n\n PROD( IMACO3 ) = 4.7000D-01 * RXRAT( 823 ) ! MACR+OH=0.4700D+00*IMACO3+...\n & + 5.0000D-01 * RXRAT( 824 ) ! MACR+NO3=0.5000D+00*IMACO3+...\n & + 3.3000D-01 * RXRAT( 825 ) ! MACR=0.3300D+00*IMACO3+...\n & + 1.6500D-01 * RXRAT( 826 ) ! MACR+CL=0.1650D+00*IMACO3+...\n & + RXRAT( 840 ) ! IMAPAN=IMACO3+NO2\n & + 6.0000D-01 * RXRAT( 841 ) ! IMAPAN=0.6000D+00*IMACO3+...\n & + 8.3000D-01 * RXRAT( 880 ) ! IMPAA+OH=0.8300D+00*IMACO3+...\n LOSS( IMACO3 ) = RXRAT( 451 ) ! IMACO3+xMTNO3=MACO3+MTNO3\n & + RXRAT( 581 ) ! IMACO3+TERPNRO2=CO2+...\n & + RXRAT( 827 ) ! IMACO3+NO=NO2+CO+CO2+HCHO+MEO2\n & + RXRAT( 828 ) ! IMACO3+HO2=0.7500D+...\n & + RXRAT( 829 ) ! IMACO3+NO3=NO2+CO+CO2+HCHO+...\n & + RXRAT( 830 ) ! IMACO3+MEO2=0.2000D+...\n & + RXRAT( 831 ) ! IMACO3+RO2C=CO+CO2+HCHO+MEO2\n & + RXRAT( 832 ) ! IMACO3+RO2XC=CO+CO2+HCHO+MEO2\n & + RXRAT( 833 ) ! IMACO3+MECO3=0.2000D+...\n & + RXRAT( 834 ) ! IMACO3+RCO3=CO+0.2000D+...\n & + RXRAT( 835 ) ! IMACO3+BZCO3=CO+0.2000D+...\n & + RXRAT( 836 ) ! IMACO3+MACO3=0.2000D+01*CO+...\n & + 2.0000D+00 * RXRAT( 837 ) ! IMACO3+IMACO3=0.2000D+...\n & + RXRAT( 839 ) ! IMACO3+NO2=IMAPAN\n\n PROD( yRAOOH ) = 3.1400D-01 * RXRAT( 544 ) ! BENZENE+OH=0.3140D+...\n & + 4.3500D-01 * RXRAT( 545 ) ! TOLUENE+OH=0.4350D+...\n & + 5.5500D-01 * RXRAT( 546 ) ! MXYL+OH=0.5550D+00*yRAOOH+...\n & + 5.8600D-01 * RXRAT( 547 ) ! OXYL+OH=0.5860D+00*yRAOOH+...\n & + 4.6100D-01 * RXRAT( 548 ) ! PXYL+OH=0.4610D+00*yRAOOH+...\n & + 7.0500D-01 * RXRAT( 549 ) ! TMBENZ124+OH=0.7050D+...\n LOSS( yRAOOH ) = RXRAT( 472 ) ! yRAOOH+NO=NO\n & + RXRAT( 473 ) ! yRAOOH+HO2=HO2+RAOOH\n & + RXRAT( 474 ) ! yRAOOH+NO3=NO3\n & + RXRAT( 475 ) ! yRAOOH+MEO2=MEO2+0.5000D+...\n & + RXRAT( 476 ) ! yRAOOH+RO2C=RO2C+0.5000D+...\n & + RXRAT( 477 ) ! yRAOOH+RO2XC=RO2XC+0.5000D+...\n & + RXRAT( 478 ) ! yRAOOH+MECO3=MECO3\n & + RXRAT( 479 ) ! yRAOOH+RCO3=RCO3\n & + RXRAT( 480 ) ! yRAOOH+BZCO3=BZCO3\n & + RXRAT( 481 ) ! yRAOOH+MACO3=MACO3\n & + RXRAT( 854 ) ! yRAOOH+IMACO3=IMACO3\n\n PROD( zMTNO3 ) = 2.0100D-01 * RXRAT( 568 ) ! TERP+OH=0.2010D+00*zMTNO3+...\n & + 1.2100D-01 * RXRAT( 569 ) ! TERP+O3=0.1210D+00*zMTNO3+...\n & + 2.0200D-01 * RXRAT( 881 ) ! MTNO3+CL=0.2020D+00*zMTNO3+...\n & + 1.7500D-01 * RXRAT( 882 ) ! MTNO3+OH=0.1750D+00*zMTNO3+...\n & + 1.0200D-01 * RXRAT( 883 ) ! MTNO3=0.1020D+00*zMTNO3+...\n LOSS( zMTNO3 ) = RXRAT( 492 ) ! zMTNO3+NO=NO+MTNO3\n & + RXRAT( 493 ) ! zMTNO3+HO2=HO2\n & + RXRAT( 494 ) ! zMTNO3+NO3=NO3+PRD2+HO2\n & + RXRAT( 495 ) ! zMTNO3+MEO2=MEO2+0.5000D+...\n & + RXRAT( 496 ) ! zMTNO3+RO2C=RO2C+0.5000D+...\n & + RXRAT( 497 ) ! zMTNO3+RO2XC=RO2XC+0.5000D+...\n & + RXRAT( 498 ) ! zMTNO3+MECO3=MECO3+PRD2+HO2\n & + RXRAT( 499 ) ! zMTNO3+RCO3=RCO3+PRD2+HO2\n & + RXRAT( 500 ) ! zMTNO3+BZCO3=BZCO3+PRD2+HO2\n & + RXRAT( 501 ) ! zMTNO3+MACO3=MACO3+PRD2+HO2\n & + RXRAT( 502 ) ! zMTNO3+IMACO3=IMACO3+PRD2+HO2\n\n PROD( xACROLEIN ) = 5.8000D-01 * RXRAT( 532 ) ! BUTADIENE13+OH=0.5800D+...\n & + 1.1500D-01 * RXRAT( 535 ) ! BUTADIENE13+O3P=0.1150D+...\n & + 3.6000D-02 * RXRAT( 557 ) ! OLE1+OH=0.3600D-...\n & + 1.2400D-01 * RXRAT( 663 ) ! PROPENE+CL=0.1240D+...\n & + 4.5700D-01 * RXRAT( 664 ) ! BUTADIENE13+CL=0.4570D+...\n & + 2.1500D-01 * RXRAT( 679 ) ! OLE1+CL=0.2150D+...\n LOSS( xACROLEIN ) = RXRAT( 513 ) ! xACROLEIN+NO=NO+ACROLEIN\n & + RXRAT( 514 ) ! xACROLEIN+HO2=HO2\n & + RXRAT( 515 ) ! xACROLEIN+NO3=NO3+ACROLEIN\n & + RXRAT( 516 ) ! xACROLEIN+MEO2=MEO2+...\n & + RXRAT( 517 ) ! xACROLEIN+RO2C=RO2C+...\n & + RXRAT( 518 ) ! xACROLEIN+RO2XC=RO2XC+...\n & + RXRAT( 519 ) ! xACROLEIN+MECO3=MECO3+ACROLEIN\n & + RXRAT( 520 ) ! xACROLEIN+RCO3=RCO3+ACROLEIN\n & + RXRAT( 521 ) ! xACROLEIN+BZCO3=BZCO3+ACROLEIN\n & + RXRAT( 522 ) ! xACROLEIN+MACO3=MACO3+ACROLEIN\n & + RXRAT( 851 ) ! xACROLEIN+IMACO3=IMACO3+...\n\n PROD( ETHENE ) = 0.0D0\n LOSS( ETHENE ) = RXRAT( 524 ) ! ETHENE+OH=xHO2+RO2C+...\n & + RXRAT( 525 ) ! ETHENE+O3=0.1600D+00*HO2+...\n & + RXRAT( 526 ) ! ETHENE+NO3=xHO2+RO2C+xRCHO+...\n & + RXRAT( 527 ) ! ETHENE+O3P=0.8000D+00*HO2+...\n & + RXRAT( 662 ) ! ETHENE+CL=xHO2+0.2000D+...\n\n PROD( PROPENE ) = 0.0D0\n LOSS( PROPENE ) = RXRAT( 528 ) ! PROPENE+OH=0.9840D+00*xHO2+...\n & + RXRAT( 529 ) ! PROPENE+O3=0.1650D+00*HO2+...\n & + RXRAT( 530 ) ! PROPENE+NO3=0.9490D+...\n & + RXRAT( 531 ) ! PROPENE+O3P=0.4500D+...\n & + RXRAT( 663 ) ! PROPENE+CL=0.1240D+00*HCL+...\n\n PROD( BUTADIENE13 ) = 0.0D0\n LOSS( BUTADIENE13 ) = RXRAT( 532 ) ! BUTADIENE13+OH=0.9510D+...\n & + RXRAT( 533 ) ! BUTADIENE13+O3=0.8000D-...\n & + RXRAT( 534 ) ! BUTADIENE13+NO3=0.8150D+...\n & + RXRAT( 535 ) ! BUTADIENE13+O3P=0.2500D+...\n & + RXRAT( 664 ) ! BUTADIENE13+CL=0.3900D+...\n\n PROD( ISOPRENE ) = 0.0D0\n LOSS( ISOPRENE ) = RXRAT( 536 ) ! ISOPRENE+O3=0.6600D-01*HO2+...\n & + RXRAT( 537 ) ! ISOPRENE+O3P=0.2500D+...\n & + RXRAT( 665 ) ! ISOPRENE+CL=0.1500D+00*HCL+...\n & + RXRAT( 709 ) ! ISOPRENE+OH=ISOPO2+ISOPRXN\n & + RXRAT( 719 ) ! ISOPRENE+NO3=NISOPO2\n\n PROD( APIN ) = 0.0D0\n LOSS( APIN ) = RXRAT( 538 ) ! APIN+OH=0.7990D+00*xHO2+...\n & + RXRAT( 539 ) ! APIN+O3=0.9000D-02*HO2+...\n & + RXRAT( 540 ) ! APIN+NO3=0.5600D-01*xHO2+...\n & + RXRAT( 541 ) ! APIN+O3P=PRD2+TRPRXN\n & + RXRAT( 666 ) ! APIN+CL=0.5480D+00*HCL+...\n\n PROD( TRPRXN ) = RXRAT( 538 ) ! APIN+OH=TRPRXN+0.4000D-...\n & + RXRAT( 539 ) ! APIN+O3=TRPRXN+0.1020D+...\n & + RXRAT( 541 ) ! APIN+O3P=TRPRXN+PRD2\n & + RXRAT( 568 ) ! TERP+OH=TRPRXN+0.6400D-...\n & + RXRAT( 569 ) ! TERP+O3=TRPRXN+0.4600D-...\n & + RXRAT( 582 ) ! TERP+O3P=TRPRXN+0.7630D+...\n LOSS( TRPRXN ) = 0.0D0\n\n PROD( ACETYLENE ) = 0.0D0\n LOSS( ACETYLENE ) = RXRAT( 542 ) ! ACETYLENE+OH=0.3000D+...\n & + RXRAT( 543 ) ! ACETYLENE+O3=0.1500D+...\n & + RXRAT( 667 ) ! ACETYLENE+CL=HO2+CO\n\n PROD( BENZENE ) = 0.0D0\n LOSS( BENZENE ) = RXRAT( 544 ) ! BENZENE+OH=0.5700D+00*HO2+...\n\n PROD( BENZRO2 ) = RXRAT( 544 ) ! BENZENE+OH=BENZRO2+0.2900D+...\n LOSS( BENZRO2 ) = RXRAT( 686 ) ! BENZRO2+NO=NO+0.3400D-...\n & + RXRAT( 687 ) ! BENZRO2+HO2=HO2+0.1460D+...\n\n PROD( TOLUENE ) = 0.0D0\n LOSS( TOLUENE ) = RXRAT( 545 ) ! TOLUENE+OH=0.1810D+00*HO2+...\n & + RXRAT( 668 ) ! TOLUENE+CL=0.8940D+00*xHO2+...\n\n PROD( TOLRO2 ) = RXRAT( 545 ) ! TOLUENE+OH=TOLRO2+0.4540D+...\n & + RXRAT( 565 ) ! ARO1+OH=TOLRO2+0.5660D+...\n LOSS( TOLRO2 ) = RXRAT( 690 ) ! TOLRO2+NO=NO+0.1600D-...\n & + RXRAT( 691 ) ! TOLRO2+HO2=HO2+0.1400D+...\n\n PROD( MXYL ) = 0.0D0\n LOSS( MXYL ) = RXRAT( 546 ) ! MXYL+OH=0.1590D+00*HO2+...\n & + RXRAT( 669 ) ! MXYL+CL=0.8640D+00*xHO2+...\n\n PROD( XYLRO2 ) = RXRAT( 546 ) ! MXYL+OH=XYLRO2+0.5200D+...\n & + RXRAT( 547 ) ! OXYL+OH=XYLRO2+0.5540D+...\n & + RXRAT( 548 ) ! PXYL+OH=XYLRO2+0.4870D+...\n & + RXRAT( 549 ) ! TMBENZ124+OH=XYLRO2+...\n & + RXRAT( 566 ) ! ARO2MN+OH=XYLRO2+0.6170D+...\n LOSS( XYLRO2 ) = RXRAT( 688 ) ! XYLRO2+NO=NO+0.1500D-...\n & + RXRAT( 689 ) ! XYLRO2+HO2=HO2+0.1930D+...\n\n PROD( OXYL ) = 0.0D0\n LOSS( OXYL ) = RXRAT( 547 ) ! OXYL+OH=0.1610D+00*HO2+...\n & + RXRAT( 670 ) ! OXYL+CL=0.8640D+00*xHO2+...\n\n PROD( PXYL ) = 0.0D0\n LOSS( PXYL ) = RXRAT( 548 ) ! PXYL+OH=0.1590D+00*HO2+...\n & + RXRAT( 671 ) ! PXYL+CL=0.8640D+00*xHO2+...\n\n PROD( TMBENZ124 ) = 0.0D0\n LOSS( TMBENZ124 ) = RXRAT( 549 ) ! TMBENZ124+OH=0.2200D-...\n & + RXRAT( 672 ) ! TMBENZ124+CL=0.8380D+...\n\n PROD( ETOH ) = 0.0D0\n LOSS( ETOH ) = RXRAT( 550 ) ! ETOH+OH=0.9500D+00*HO2+...\n & + RXRAT( 673 ) ! ETOH+CL=HCL+0.6880D+00*HO2+...\n\n PROD( ALK1 ) = 0.0D0\n LOSS( ALK1 ) = RXRAT( 551 ) ! ALK1+OH=xHO2+RO2C+xCCHO+yROOH\n & + RXRAT( 674 ) ! ALK1+CL=HCL+xHO2+RO2C+...\n\n PROD( ALK2 ) = 0.0D0\n LOSS( ALK2 ) = RXRAT( 552 ) ! ALK2+OH=0.9650D+00*xHO2+...\n & + RXRAT( 675 ) ! ALK2+CL=HCL+0.9700D+...\n\n PROD( ALK3 ) = 0.0D0\n LOSS( ALK3 ) = RXRAT( 553 ) ! ALK3+OH=0.6950D+00*xHO2+...\n & + RXRAT( 676 ) ! ALK3+CL=HCL+0.8350D+...\n\n PROD( ALK4 ) = 0.0D0\n LOSS( ALK4 ) = RXRAT( 554 ) ! ALK4+OH=0.8300D+00*xHO2+...\n & + RXRAT( 677 ) ! ALK4+CL=HCL+0.8270D+...\n\n PROD( ALK5 ) = 0.0D0\n LOSS( ALK5 ) = RXRAT( 555 ) ! ALK5+OH=0.6470D+00*xHO2+...\n & + RXRAT( 678 ) ! ALK5+CL=HCL+0.6470D+...\n\n PROD( SOAALK ) = 0.0D0\n LOSS( SOAALK ) = RXRAT( 556 ) ! SOAALK+OH=OH+0.6000D-...\n\n PROD( SVAVB2 ) = 6.0000D-03 * RXRAT( 556 ) ! SOAALK+OH=0.6000D-...\n & + 3.4000D-02 * RXRAT( 686 ) ! BENZRO2+NO=0.3400D-...\n & + 1.5000D-02 * RXRAT( 688 ) ! XYLRO2+NO=0.1500D-...\n & + 1.6000D-02 * RXRAT( 690 ) ! TOLRO2+NO=0.1600D-...\n & + 2.8000D-02 * RXRAT( 692 ) ! PAHRO2+NO=0.2800D-...\n LOSS( SVAVB2 ) = 0.0D0\n\n PROD( SVAVB3 ) = 5.2000D-02 * RXRAT( 556 ) ! SOAALK+OH=0.5200D-...\n & + 2.3000D-02 * RXRAT( 688 ) ! XYLRO2+NO=0.2300D-...\n & + 5.1000D-02 * RXRAT( 690 ) ! TOLRO2+NO=0.5100D-...\n & + 2.2500D-01 * RXRAT( 692 ) ! PAHRO2+NO=0.2250D+...\n LOSS( SVAVB3 ) = 0.0D0\n\n PROD( SVAVB4 ) = 8.1000D-02 * RXRAT( 556 ) ! SOAALK+OH=0.8100D-...\n & + 3.9200D-01 * RXRAT( 686 ) ! BENZRO2+NO=0.3920D+...\n & + 6.0000D-02 * RXRAT( 688 ) ! XYLRO2+NO=0.6000D-...\n & + 4.7000D-02 * RXRAT( 690 ) ! TOLRO2+NO=0.4700D-...\n & + 1.9100D-01 * RXRAT( 692 ) ! PAHRO2+NO=0.1910D+...\n LOSS( SVAVB4 ) = 0.0D0\n\n PROD( OLE1 ) = 0.0D0\n LOSS( OLE1 ) = RXRAT( 557 ) ! OLE1+OH=0.8710D+00*xHO2+...\n & + RXRAT( 558 ) ! OLE1+O3=0.9500D-01*HO2+...\n & + RXRAT( 559 ) ! OLE1+NO3=0.7720D+00*xHO2+...\n & + RXRAT( 560 ) ! OLE1+O3P=0.4500D+00*RCHO+...\n & + RXRAT( 679 ) ! OLE1+CL=0.3840D+00*HCL+...\n\n PROD( OLE2 ) = 0.0D0\n LOSS( OLE2 ) = RXRAT( 561 ) ! OLE2+OH=0.9120D+00*xHO2+...\n & + RXRAT( 562 ) ! OLE2+O3=0.9400D-01*HO2+...\n & + RXRAT( 563 ) ! OLE2+NO3=0.4000D+00*xHO2+...\n & + RXRAT( 564 ) ! OLE2+O3P=0.7900D-01*RCHO+...\n & + RXRAT( 680 ) ! OLE2+CL=0.2790D+00*HCL+...\n\n PROD( ARO1 ) = 0.0D0\n LOSS( ARO1 ) = RXRAT( 565 ) ! ARO1+OH=0.1230D+00*HO2+...\n & + RXRAT( 681 ) ! ARO1+CL=0.8400D+00*xHO2+...\n\n PROD( ARO2MN ) = 4.3000D-02 * RXRAT( 710 ) ! ISOPO2+NO=0.4300D-...\n & + 2.0000D-02 * RXRAT( 712 ) ! ISOPO2+MEO2=0.2000D-...\n & + 2.0000D-02 * RXRAT( 713 ) ! ISOPO2+RO2C=0.2000D-...\n & + 5.0000D-02 * RXRAT( 714 ) ! ISOPO2+ISOPO2=0.5000D-...\n & + 5.0000D-02 * RXRAT( 715 ) ! ISOPO2+MECO3=0.5000D-...\n & + 5.0000D-02 * RXRAT( 819 ) ! ISOPOOH=0.5000D-01*ARO2MN+...\n LOSS( ARO2MN ) = RXRAT( 566 ) ! ARO2MN+OH=0.7700D-01*HO2+...\n & + RXRAT( 682 ) ! ARO2MN+CL=0.8280D+00*xHO2+...\n\n PROD( NAPHTHAL ) = 0.0D0\n LOSS( NAPHTHAL ) = RXRAT( 567 ) ! NAPHTHAL+OH=0.7700D-01*HO2+...\n & + RXRAT( 683 ) ! NAPHTHAL+CL=0.8280D+...\n\n PROD( PAHRO2 ) = RXRAT( 567 ) ! NAPHTHAL+OH=PAHRO2+0.6170D+...\n LOSS( PAHRO2 ) = RXRAT( 692 ) ! PAHRO2+NO=NO+0.2800D-...\n & + RXRAT( 693 ) ! PAHRO2+HO2=HO2+0.4730D+...\n\n PROD( TERP ) = 0.0D0\n LOSS( TERP ) = RXRAT( 568 ) ! TERP+OH=0.7340D+00*xHO2+...\n & + RXRAT( 569 ) ! TERP+O3=0.7800D-01*HO2+...\n & + RXRAT( 570 ) ! TERP+NO3=TERPNRO2\n & + RXRAT( 582 ) ! TERP+O3P=0.2370D+00*RCHO+...\n & + RXRAT( 684 ) ! TERP+CL=0.5480D+00*HCL+...\n\n PROD( TERPNRO2 ) = RXRAT( 570 ) ! TERP+NO3=TERPNRO2\n LOSS( TERPNRO2 ) = RXRAT( 571 ) ! TERPNRO2+NO=0.8270D+00*NO2+...\n & + RXRAT( 572 ) ! TERPNRO2+HO2=MTNO3\n & + RXRAT( 573 ) ! TERPNRO2+NO3=0.1531D+...\n & + RXRAT( 574 ) ! TERPNRO2+MEO2=0.2660D+...\n & + RXRAT( 575 ) ! TERPNRO2+RO2C=0.2660D+...\n & + RXRAT( 576 ) ! TERPNRO2+RO2XC=0.2660D+...\n & + RXRAT( 577 ) ! TERPNRO2+MECO3=0.5310D+...\n & + RXRAT( 578 ) ! TERPNRO2+RCO3=0.5310D+...\n & + RXRAT( 579 ) ! TERPNRO2+BZCO3=0.5310D+...\n & + RXRAT( 580 ) ! TERPNRO2+MACO3=CO2+0.1043D+...\n & + RXRAT( 581 ) ! TERPNRO2+IMACO3=CO2+...\n\n PROD( SESQ ) = 0.0D0\n LOSS( SESQ ) = RXRAT( 583 ) ! SESQ+OH=0.7340D+00*xHO2+...\n & + RXRAT( 584 ) ! SESQ+O3=0.7800D-01*HO2+...\n & + RXRAT( 585 ) ! SESQ+NO3=0.2270D+00*xHO2+...\n & + RXRAT( 586 ) ! SESQ+O3P=0.2370D+00*RCHO+...\n & + RXRAT( 685 ) ! SESQ+CL=0.2520D+00*xHO2+...\n\n PROD( SESQRXN ) = RXRAT( 583 ) ! SESQ+OH=SESQRXN+0.6400D-...\n & + RXRAT( 584 ) ! SESQ+O3=SESQRXN+0.4600D-...\n & + RXRAT( 585 ) ! SESQ+NO3=SESQRXN+0.2870D+...\n & + RXRAT( 586 ) ! SESQ+O3P=SESQRXN+0.7630D+...\n LOSS( SESQRXN ) = 0.0D0\n\n PROD( CL2 ) = RXRAT( 603 ) ! CL+CLONO2=CL2+NO3\n & + 2.9000D-01 * RXRAT( 606 ) ! CLO+CLO=0.2900D+00*CL2+...\n LOSS( CL2 ) = RXRAT( 587 ) ! CL2=0.2000D+01*CL\n\n PROD( CL ) = 2.0000D+00 * RXRAT( 587 ) ! CL2=0.2000D+01*CL\n & + RXRAT( 589 ) ! CLNO=CL+NO\n & + RXRAT( 592 ) ! CLONO=CL+NO2\n & + RXRAT( 593 ) ! CLNO2=CL+NO2\n & + RXRAT( 598 ) ! CLO+NO=CL+NO2\n & + RXRAT( 601 ) ! CLONO2=CL+NO3\n & + RXRAT( 605 ) ! HOCL=CL+OH\n & + 1.4200D+00 * RXRAT( 606 ) ! CLO+CLO=0.1420D+01*CL+...\n & + RXRAT( 607 ) ! OH+HCL=CL\n & + RXRAT( 631 ) ! xCL+NO=CL+NO\n & + RXRAT( 633 ) ! xCL+NO3=CL+NO3\n & + 5.0000D-01 * RXRAT( 634 ) ! xCL+MEO2=0.5000D+00*CL+MEO2\n & + 5.0000D-01 * RXRAT( 635 ) ! xCL+RO2C=0.5000D+00*CL+RO2C\n & + 5.0000D-01 * RXRAT( 636 ) ! xCL+RO2XC=0.5000D+00*CL+RO2XC\n & + RXRAT( 637 ) ! xCL+MECO3=CL+MECO3\n & + RXRAT( 638 ) ! xCL+RCO3=CL+RCO3\n & + RXRAT( 639 ) ! xCL+BZCO3=CL+BZCO3\n & + RXRAT( 640 ) ! xCL+MACO3=CL+MACO3\n & + RXRAT( 874 ) ! xCL+IMACO3=CL+IMACO3\n LOSS( CL ) = RXRAT( 588 ) ! CL+NO=CLNO\n & + RXRAT( 590 ) ! CL+NO2=CLONO\n & + RXRAT( 591 ) ! CL+NO2=CLNO2\n & + RXRAT( 594 ) ! CL+HO2=HCL\n & + RXRAT( 595 ) ! CL+HO2=CLO+OH\n & + RXRAT( 596 ) ! CL+O3=CLO\n & + RXRAT( 597 ) ! CL+NO3=CLO+NO2\n & + RXRAT( 603 ) ! CL+CLONO2=CL2+NO3\n & + RXRAT( 608 ) ! CL=HCL+HO2\n & + RXRAT( 609 ) ! CL+HCHO=HCL+HO2+CO\n & + RXRAT( 610 ) ! CL+CCHO=HCL+MECO3\n & + RXRAT( 611 ) ! CL+MEOH=HCL+HCHO+HO2\n & + RXRAT( 612 ) ! CL+RCHO=HCL+0.9000D+...\n & + RXRAT( 613 ) ! CL+ACETONE=HCL+RO2C+xHCHO+...\n & + RXRAT( 614 ) ! CL+MEK=HCL+0.9750D+00*RO2C+...\n & + RXRAT( 615 ) ! CL+RNO3=HCL+0.3800D-01*NO2+...\n & + RXRAT( 616 ) ! CL+PRD2=HCL+0.3140D+00*HO2+...\n & + RXRAT( 617 ) ! CL+GLY=HCL+0.6300D+00*HO2+...\n & + RXRAT( 618 ) ! CL+MGLY=HCL+CO+MECO3\n & + RXRAT( 619 ) ! CL+CRES=HCL+xHO2+xBALD+yR6OOH\n & + RXRAT( 620 ) ! CL+BALD=HCL+BZCO3\n & + RXRAT( 621 ) ! CL+ROOH=HCL+0.4140D+00*OH+...\n & + RXRAT( 622 ) ! CL+R6OOH=HCL+0.1450D+00*OH+...\n & + RXRAT( 623 ) ! CL+RAOOH=0.4040D+00*HCL+...\n & + RXRAT( 624 ) ! CL+ACROLEIN=0.4840D+...\n & + RXRAT( 625 ) ! CL+MVK=0.1283D+01*RO2C+...\n & + RXRAT( 626 ) ! CL+IPRD=0.4010D+00*HCL+...\n & + RXRAT( 629 ) ! CL+CLCCHO=HCL+RCO3\n & + RXRAT( 661 ) ! CL=HCL+MEO2\n & + RXRAT( 662 ) ! CL+ETHENE=xHO2+0.2000D+...\n & + RXRAT( 663 ) ! CL+PROPENE=0.1240D+00*HCL+...\n & + RXRAT( 664 ) ! CL+BUTADIENE13=0.3900D+...\n & + RXRAT( 665 ) ! CL+ISOPRENE=0.1500D+00*HCL+...\n & + RXRAT( 666 ) ! CL+APIN=0.5480D+00*HCL+...\n & + RXRAT( 667 ) ! CL+ACETYLENE=HO2+CO\n & + RXRAT( 668 ) ! CL+TOLUENE=0.8940D+00*xHO2+...\n & + RXRAT( 669 ) ! CL+MXYL=0.8640D+00*xHO2+...\n & + RXRAT( 670 ) ! CL+OXYL=0.8640D+00*xHO2+...\n & + RXRAT( 671 ) ! CL+PXYL=0.8640D+00*xHO2+...\n & + RXRAT( 672 ) ! CL+TMBENZ124=0.8380D+...\n & + RXRAT( 673 ) ! CL+ETOH=HCL+0.6880D+00*HO2+...\n & + RXRAT( 674 ) ! CL+ALK1=HCL+xHO2+RO2C+...\n & + RXRAT( 675 ) ! CL+ALK2=HCL+0.9700D+...\n & + RXRAT( 676 ) ! CL+ALK3=HCL+0.8350D+...\n & + RXRAT( 677 ) ! CL+ALK4=HCL+0.8270D+...\n & + RXRAT( 678 ) ! CL+ALK5=HCL+0.6470D+...\n & + RXRAT( 679 ) ! CL+OLE1=0.3840D+00*HCL+...\n & + RXRAT( 680 ) ! CL+OLE2=0.2790D+00*HCL+...\n & + RXRAT( 681 ) ! CL+ARO1=0.8400D+00*xHO2+...\n & + RXRAT( 682 ) ! CL+ARO2MN=0.8280D+00*xHO2+...\n & + RXRAT( 683 ) ! CL+NAPHTHAL=0.8280D+...\n & + RXRAT( 684 ) ! CL+TERP=0.5480D+00*HCL+...\n & + RXRAT( 685 ) ! CL+SESQ=0.2520D+00*xHO2+...\n & + RXRAT( 826 ) ! CL+MACR=0.2500D+00*HCL+...\n & + RXRAT( 881 ) ! CL+MTNO3=HCL+0.3800D-...\n\n PROD( CLNO ) = RXRAT( 588 ) ! CL+NO=CLNO\n LOSS( CLNO ) = RXRAT( 589 ) ! CLNO=CL+NO\n\n PROD( CLONO ) = RXRAT( 590 ) ! CL+NO2=CLONO\n LOSS( CLONO ) = RXRAT( 592 ) ! CLONO=CL+NO2\n\n PROD( CLNO2 ) = RXRAT( 591 ) ! CL+NO2=CLNO2\n & + RXRAT( 889 ) ! H2NO3PIJ+ACLI=CLNO2\n & + RXRAT( 890 ) ! H2NO3PIJ+ACLJ=CLNO2\n & + RXRAT( 891 ) ! H2NO3PK+ACLK=CLNO2\n LOSS( CLNO2 ) = RXRAT( 593 ) ! CLNO2=CL+NO2\n\n PROD( HCL ) = RXRAT( 594 ) ! CL+HO2=HCL\n & + RXRAT( 608 ) ! CL=HCL+HO2\n & + RXRAT( 609 ) ! HCHO+CL=HCL+HO2+CO\n & + RXRAT( 610 ) ! CCHO+CL=HCL+MECO3\n & + RXRAT( 611 ) ! MEOH+CL=HCL+HCHO+HO2\n & + RXRAT( 612 ) ! RCHO+CL=HCL+0.9000D+...\n & + RXRAT( 613 ) ! ACETONE+CL=HCL+RO2C+xHCHO+...\n & + RXRAT( 614 ) ! MEK+CL=HCL+0.9750D+00*RO2C+...\n & + RXRAT( 615 ) ! RNO3+CL=HCL+0.3800D-01*NO2+...\n & + RXRAT( 616 ) ! PRD2+CL=HCL+0.3140D+00*HO2+...\n & + RXRAT( 617 ) ! GLY+CL=HCL+0.6300D+00*HO2+...\n & + RXRAT( 618 ) ! MGLY+CL=HCL+CO+MECO3\n & + RXRAT( 619 ) ! CRES+CL=HCL+xHO2+xBALD+yR6OOH\n & + RXRAT( 620 ) ! BALD+CL=HCL+BZCO3\n & + RXRAT( 621 ) ! ROOH+CL=HCL+0.4140D+00*OH+...\n & + RXRAT( 622 ) ! R6OOH+CL=HCL+0.1450D+00*OH+...\n & + 4.0400D-01 * RXRAT( 623 ) ! RAOOH+CL=0.4040D+00*HCL+...\n & + 2.1600D-01 * RXRAT( 624 ) ! ACROLEIN+CL=0.2160D+00*HCL+...\n & + 4.0100D-01 * RXRAT( 626 ) ! IPRD+CL=0.4010D+00*HCL+...\n & + RXRAT( 629 ) ! CLCCHO+CL=HCL+RCO3\n & + RXRAT( 661 ) ! CL=HCL+MEO2\n & + 1.2400D-01 * RXRAT( 663 ) ! PROPENE+CL=0.1240D+00*HCL+...\n & + 1.5000D-01 * RXRAT( 665 ) ! ISOPRENE+CL=0.1500D+00*HCL+...\n & + 5.4800D-01 * RXRAT( 666 ) ! APIN+CL=0.5480D+00*HCL+...\n & + RXRAT( 673 ) ! ETOH+CL=HCL+0.6880D+00*HO2+...\n & + RXRAT( 674 ) ! ALK1+CL=HCL+xHO2+RO2C+...\n & + RXRAT( 675 ) ! ALK2+CL=HCL+0.9700D+...\n & + RXRAT( 676 ) ! ALK3+CL=HCL+0.8350D+...\n & + RXRAT( 677 ) ! ALK4+CL=HCL+0.8270D+...\n & + RXRAT( 678 ) ! ALK5+CL=HCL+0.6470D+...\n & + 3.8400D-01 * RXRAT( 679 ) ! OLE1+CL=0.3840D+00*HCL+...\n & + 2.7900D-01 * RXRAT( 680 ) ! OLE2+CL=0.2790D+00*HCL+...\n & + 5.4800D-01 * RXRAT( 684 ) ! TERP+CL=0.5480D+00*HCL+...\n & + 5.4800D-01 * RXRAT( 685 ) ! SESQ+CL=0.5480D+00*HCL+...\n & + 2.5000D-01 * RXRAT( 826 ) ! MACR+CL=0.2500D+00*HCL+...\n & + RXRAT( 881 ) ! MTNO3+CL=HCL+0.3800D-...\n LOSS( HCL ) = RXRAT( 607 ) ! HCL+OH=CL\n\n PROD( CLO ) = RXRAT( 595 ) ! CL+HO2=CLO+OH\n & + RXRAT( 596 ) ! CL+O3=CLO\n & + RXRAT( 597 ) ! CL+NO3=CLO+NO2\n & + RXRAT( 600 ) ! CLONO2=CLO+NO2\n & + RXRAT( 602 ) ! CLONO2=CLO+NO2\n LOSS( CLO ) = RXRAT( 598 ) ! CLO+NO=CL+NO2\n & + RXRAT( 599 ) ! CLO+NO2=CLONO2\n & + RXRAT( 604 ) ! CLO+HO2=HOCL\n & + 2.0000D+00 * RXRAT( 606 ) ! CLO+CLO=0.2900D+00*CL2+...\n\n PROD( CLONO2 ) = RXRAT( 599 ) ! CLO+NO2=CLONO2\n LOSS( CLONO2 ) = RXRAT( 600 ) ! CLONO2=CLO+NO2\n & + RXRAT( 601 ) ! CLONO2=CL+NO3\n & + RXRAT( 602 ) ! CLONO2=CLO+NO2\n & + RXRAT( 603 ) ! CLONO2+CL=CL2+NO3\n\n PROD( HOCL ) = RXRAT( 604 ) ! CLO+HO2=HOCL\n LOSS( HOCL ) = RXRAT( 605 ) ! HOCL=OH+CL\n\n PROD( xCL ) = 2.7400D-01 * RXRAT( 624 ) ! ACROLEIN+CL=0.2740D+00*xCL+...\n & + RXRAT( 627 ) ! CLCCHO=xCL+CO+RO2C+HO2+...\n & + RXRAT( 630 ) ! CLACET=xCL+RO2C+MECO3+...\n & + 5.4100D-01 * RXRAT( 664 ) ! BUTADIENE13+CL=0.5410D+...\n & + 1.7700D-01 * RXRAT( 665 ) ! ISOPRENE+CL=0.1770D+00*xCL+...\n & + 6.8000D-02 * RXRAT( 666 ) ! APIN+CL=0.6800D-01*xCL+...\n & + 4.4200D-01 * RXRAT( 680 ) ! OLE2+CL=0.4420D+00*xCL+...\n & + 6.8000D-02 * RXRAT( 684 ) ! TERP+CL=0.6800D-01*xCL+...\n & + 6.8000D-02 * RXRAT( 685 ) ! SESQ+CL=0.6800D-01*xCL+...\n LOSS( xCL ) = RXRAT( 631 ) ! xCL+NO=NO+CL\n & + RXRAT( 632 ) ! xCL+HO2=HO2\n & + RXRAT( 633 ) ! xCL+NO3=NO3+CL\n & + RXRAT( 634 ) ! xCL+MEO2=MEO2+0.5000D+00*CL\n & + RXRAT( 635 ) ! xCL+RO2C=RO2C+0.5000D+00*CL\n & + RXRAT( 636 ) ! xCL+RO2XC=RO2XC+0.5000D+00*CL\n & + RXRAT( 637 ) ! xCL+MECO3=MECO3+CL\n & + RXRAT( 638 ) ! xCL+RCO3=RCO3+CL\n & + RXRAT( 639 ) ! xCL+BZCO3=BZCO3+CL\n & + RXRAT( 640 ) ! xCL+MACO3=MACO3+CL\n & + RXRAT( 874 ) ! xCL+IMACO3=IMACO3+CL\n\n PROD( xCLCCHO ) = 4.8400D-01 * RXRAT( 624 ) ! ACROLEIN+CL=0.4840D+...\n & + 9.4700D-01 * RXRAT( 625 ) ! MVK+CL=0.9470D+00*xCLCCHO+...\n & + 1.4000D-01 * RXRAT( 626 ) ! IPRD+CL=0.1400D+00*xCLCCHO+...\n & + 3.0600D-01 * RXRAT( 663 ) ! PROPENE+CL=0.3060D+...\n & + 6.7000D-02 * RXRAT( 665 ) ! ISOPRENE+CL=0.6700D-...\n & + 1.0900D-01 * RXRAT( 666 ) ! APIN+CL=0.1090D+00*xCLCCHO+...\n & + 1.9200D-01 * RXRAT( 679 ) ! OLE1+CL=0.1920D+00*xCLCCHO+...\n & + 1.3000D-02 * RXRAT( 680 ) ! OLE2+CL=0.1300D-01*xCLCCHO+...\n & + 1.0900D-01 * RXRAT( 684 ) ! TERP+CL=0.1090D+00*xCLCCHO+...\n & + 1.0900D-01 * RXRAT( 685 ) ! SESQ+CL=0.1090D+00*xCLCCHO+...\n & + 1.8000D-01 * RXRAT( 826 ) ! MACR+CL=0.1800D+00*xCLCCHO+...\n LOSS( xCLCCHO ) = RXRAT( 641 ) ! xCLCCHO+NO=NO+CLCCHO\n & + RXRAT( 642 ) ! xCLCCHO+HO2=HO2\n & + RXRAT( 643 ) ! xCLCCHO+NO3=NO3+CLCCHO\n & + RXRAT( 644 ) ! xCLCCHO+MEO2=MEO2+0.5000D+...\n & + RXRAT( 645 ) ! xCLCCHO+RO2C=RO2C+0.5000D+...\n & + RXRAT( 646 ) ! xCLCCHO+RO2XC=RO2XC+...\n & + RXRAT( 647 ) ! xCLCCHO+MECO3=MECO3+CLCCHO\n & + RXRAT( 648 ) ! xCLCCHO+RCO3=RCO3+CLCCHO\n & + RXRAT( 649 ) ! xCLCCHO+BZCO3=BZCO3+CLCCHO\n & + RXRAT( 650 ) ! xCLCCHO+MACO3=MACO3+CLCCHO\n & + RXRAT( 876 ) ! xCLCCHO+IMACO3=IMACO3+CLCCHO\n\n PROD( xCLACET ) = 4.2000D-01 * RXRAT( 626 ) ! IPRD+CL=0.4200D+00*xCLACET+...\n & + 5.4000D-01 * RXRAT( 663 ) ! PROPENE+CL=0.5400D+...\n & + 3.3700D-01 * RXRAT( 679 ) ! OLE1+CL=0.3370D+00*xCLACET+...\n & + 1.9100D-01 * RXRAT( 680 ) ! OLE2+CL=0.1910D+00*xCLACET+...\n & + 5.4100D-01 * RXRAT( 826 ) ! MACR+CL=0.5410D+00*xCLACET+...\n LOSS( xCLACET ) = RXRAT( 651 ) ! xCLACET+NO=NO+CLACET\n & + RXRAT( 652 ) ! xCLACET+HO2=HO2\n & + RXRAT( 653 ) ! xCLACET+NO3=NO3+CLACET\n & + RXRAT( 654 ) ! xCLACET+MEO2=MEO2+0.5000D+...\n & + RXRAT( 655 ) ! xCLACET+RO2C=RO2C+0.5000D+...\n & + RXRAT( 656 ) ! xCLACET+RO2XC=RO2XC+...\n & + RXRAT( 657 ) ! xCLACET+MECO3=MECO3+CLACET\n & + RXRAT( 658 ) ! xCLACET+RCO3=RCO3+CLACET\n & + RXRAT( 659 ) ! xCLACET+BZCO3=BZCO3+CLACET\n & + RXRAT( 660 ) ! xCLACET+MACO3=MACO3+CLACET\n & + RXRAT( 875 ) ! xCLACET+IMACO3=IMACO3+CLACET\n\n PROD( CLCCHO ) = RXRAT( 641 ) ! xCLCCHO+NO=CLCCHO+NO\n & + RXRAT( 643 ) ! xCLCCHO+NO3=CLCCHO+NO3\n & + 5.0000D-01 * RXRAT( 644 ) ! xCLCCHO+MEO2=0.5000D+...\n & + 5.0000D-01 * RXRAT( 645 ) ! xCLCCHO+RO2C=0.5000D+...\n & + 5.0000D-01 * RXRAT( 646 ) ! xCLCCHO+RO2XC=0.5000D+...\n & + RXRAT( 647 ) ! xCLCCHO+MECO3=CLCCHO+MECO3\n & + RXRAT( 648 ) ! xCLCCHO+RCO3=CLCCHO+RCO3\n & + RXRAT( 649 ) ! xCLCCHO+BZCO3=CLCCHO+BZCO3\n & + RXRAT( 650 ) ! xCLCCHO+MACO3=CLCCHO+MACO3\n & + RXRAT( 876 ) ! xCLCCHO+IMACO3=CLCCHO+IMACO3\n LOSS( CLCCHO ) = RXRAT( 627 ) ! CLCCHO=HO2+CO+RO2C+xCL+...\n & + RXRAT( 628 ) ! CLCCHO+OH=RCO3\n & + RXRAT( 629 ) ! CLCCHO+CL=HCL+RCO3\n\n PROD( CLACET ) = RXRAT( 651 ) ! xCLACET+NO=CLACET+NO\n & + RXRAT( 653 ) ! xCLACET+NO3=CLACET+NO3\n & + 5.0000D-01 * RXRAT( 654 ) ! xCLACET+MEO2=0.5000D+...\n & + 5.0000D-01 * RXRAT( 655 ) ! xCLACET+RO2C=0.5000D+...\n & + 5.0000D-01 * RXRAT( 656 ) ! xCLACET+RO2XC=0.5000D+...\n & + RXRAT( 657 ) ! xCLACET+MECO3=CLACET+MECO3\n & + RXRAT( 658 ) ! xCLACET+RCO3=CLACET+RCO3\n & + RXRAT( 659 ) ! xCLACET+BZCO3=CLACET+BZCO3\n & + RXRAT( 660 ) ! xCLACET+MACO3=CLACET+MACO3\n & + RXRAT( 875 ) ! xCLACET+IMACO3=CLACET+IMACO3\n LOSS( CLACET ) = RXRAT( 630 ) ! CLACET=MECO3+RO2C+xCL+...\n\n PROD( CLCHO ) = RXRAT( 662 ) ! ETHENE+CL=CLCHO+0.2000D+...\n LOSS( CLCHO ) = 0.0D0\n\n PROD( SVAVB1 ) = 1.4600D-01 * RXRAT( 687 ) ! BENZRO2+HO2=0.1460D+...\n & + 1.9300D-01 * RXRAT( 689 ) ! XYLRO2+HO2=0.1930D+...\n & + 1.4000D-01 * RXRAT( 691 ) ! TOLRO2+HO2=0.1400D+...\n & + 4.7300D-01 * RXRAT( 693 ) ! PAHRO2+HO2=0.4730D+...\n LOSS( SVAVB1 ) = 0.0D0\n\n PROD( HCHO_PRIMARY ) = 0.0D0\n LOSS( HCHO_PRIMARY ) = RXRAT( 694 ) ! HCHO_PRIMARY=\n & + RXRAT( 695 ) ! HCHO_PRIMARY=\n & + RXRAT( 696 ) ! HCHO_PRIMARY+OH=OH\n & + RXRAT( 697 ) ! HCHO_PRIMARY+NO3=NO3\n & + RXRAT( 698 ) ! HCHO_PRIMARY+CL=CL\n\n PROD( CCHO_PRIMARY ) = 0.0D0\n LOSS( CCHO_PRIMARY ) = RXRAT( 699 ) ! CCHO_PRIMARY+OH=OH\n & + RXRAT( 700 ) ! CCHO_PRIMARY=\n & + RXRAT( 701 ) ! CCHO_PRIMARY+NO3=NO3\n & + RXRAT( 702 ) ! CCHO_PRIMARY+CL=CL\n\n PROD( ACRO_PRIMARY ) = 0.0D0\n LOSS( ACRO_PRIMARY ) = RXRAT( 703 ) ! ACRO_PRIMARY+OH=OH\n & + RXRAT( 704 ) ! ACRO_PRIMARY+O3=O3\n & + RXRAT( 705 ) ! ACRO_PRIMARY+NO3=NO3\n & + RXRAT( 706 ) ! ACRO_PRIMARY+O3P=O3P\n & + RXRAT( 707 ) ! ACRO_PRIMARY=\n & + RXRAT( 708 ) ! ACRO_PRIMARY+CL=CL\n\n PROD( ISOPO2 ) = RXRAT( 709 ) ! ISOPRENE+OH=ISOPO2+ISOPRXN\n & + 3.8700D-01 * RXRAT( 812 ) ! ISOPOOH+OH=0.3870D+...\n LOSS( ISOPO2 ) = RXRAT( 710 ) ! ISOPO2+NO=0.4000D+00*MVK+...\n & + RXRAT( 711 ) ! ISOPO2+HO2=0.8800D+...\n & + RXRAT( 712 ) ! ISOPO2+MEO2=0.9500D+00*HO2+...\n & + RXRAT( 713 ) ! ISOPO2+RO2C=0.4500D+00*HO2+...\n & + 2.0000D+00 * RXRAT( 714 ) ! ISOPO2+ISOPO2=0.9100D+...\n & + RXRAT( 715 ) ! ISOPO2+MECO3=MEO2+CO2+...\n & + RXRAT( 716 ) ! ISOPO2=HO2+HPALD\n\n PROD( ISOPRXN ) = RXRAT( 709 ) ! ISOPRENE+OH=ISOPRXN+ISOPO2\n LOSS( ISOPRXN ) = 0.0D0\n\n PROD( ISOPND ) = 7.0000D-02 * RXRAT( 710 ) ! ISOPO2+NO=0.7000D-...\n & + 2.5000D-01 * RXRAT( 723 ) ! NISOPO2+MEO2=0.2500D+...\n & + 2.5000D-01 * RXRAT( 724 ) ! NISOPO2+RO2C=0.2500D+...\n & + 5.0000D-01 * RXRAT( 725 ) ! NISOPO2+NISOPO2=0.5000D+...\n LOSS( ISOPND ) = RXRAT( 734 ) ! ISOPND+OH=ISOPNOOD\n & + RXRAT( 740 ) ! ISOPND+O3=0.3600D+00*ETHLN+...\n\n PROD( ISOPNB ) = 4.7000D-02 * RXRAT( 710 ) ! ISOPO2+NO=0.4700D-...\n LOSS( ISOPNB ) = RXRAT( 741 ) ! ISOPNB+OH=ISOPNOOB\n & + RXRAT( 747 ) ! ISOPNB+O3=0.1200D+00*MVKN+...\n\n PROD( HC5 ) = 1.0000D-01 * RXRAT( 710 ) ! ISOPO2+NO=0.1000D+00*HC5+...\n & + 6.0000D-02 * RXRAT( 712 ) ! ISOPO2+MEO2=0.6000D-01*HC5+...\n & + 6.0000D-02 * RXRAT( 713 ) ! ISOPO2+RO2C=0.6000D-01*HC5+...\n & + 1.1000D-01 * RXRAT( 714 ) ! ISOPO2+ISOPO2=0.1100D+...\n & + 1.1000D-01 * RXRAT( 715 ) ! ISOPO2+MECO3=0.1100D+...\n & + 2.3000D-01 * RXRAT( 720 ) ! NISOPO2+NO3=0.2300D+00*HC5+...\n & + 2.3000D-01 * RXRAT( 721 ) ! NISOPO2+NO=0.2300D+00*HC5+...\n & + 1.1500D-01 * RXRAT( 723 ) ! NISOPO2+MEO2=0.1150D+...\n & + 1.1500D-01 * RXRAT( 724 ) ! NISOPO2+RO2C=0.1150D+...\n & + 2.3000D-01 * RXRAT( 725 ) ! NISOPO2+NISOPO2=0.2300D+...\n & + 2.3000D-01 * RXRAT( 726 ) ! NISOPO2+MECO3=0.2300D+...\n & + 6.1300D-01 * RXRAT( 812 ) ! ISOPOOH+OH=0.6130D+00*HC5+...\n & + 1.1000D-01 * RXRAT( 819 ) ! ISOPOOH=0.1100D+00*HC5+...\n LOSS( HC5 ) = RXRAT( 727 ) ! HC5+OH=HC5OO\n & + RXRAT( 733 ) ! HC5+O3=0.5000D+00*MGLY+...\n\n PROD( DIBOO ) = 8.0000D-02 * RXRAT( 710 ) ! ISOPO2+NO=0.8000D-01*DIBOO+...\n & + 5.0000D-02 * RXRAT( 712 ) ! ISOPO2+MEO2=0.5000D-...\n & + 5.0000D-02 * RXRAT( 713 ) ! ISOPO2+RO2C=0.5000D-...\n & + 9.0000D-02 * RXRAT( 714 ) ! ISOPO2+ISOPO2=0.9000D-...\n & + 9.0000D-02 * RXRAT( 715 ) ! ISOPO2+MECO3=0.9000D-...\n & + 9.0000D-02 * RXRAT( 819 ) ! ISOPOOH=0.9000D-01*DIBOO+...\n LOSS( DIBOO ) = RXRAT( 769 ) ! DIBOO+NO=NO2+HO2+0.5200D+...\n & + RXRAT( 770 ) ! DIBOO+HO2=R6OOH\n & + RXRAT( 771 ) ! DIBOO+MEO2=HO2+0.2600D+...\n & + RXRAT( 772 ) ! DIBOO+RO2C=0.5000D+00*HO2+...\n & + RXRAT( 773 ) ! DIBOO+MECO3=HO2+0.5200D+...\n\n PROD( ISOPOOH ) = 8.8000D-01 * RXRAT( 711 ) ! ISOPO2+HO2=0.8800D+...\n LOSS( ISOPOOH ) = RXRAT( 811 ) ! ISOPOOH+OH=IEPOX+OH\n & + RXRAT( 812 ) ! ISOPOOH+OH=0.3870D+...\n & + RXRAT( 819 ) ! ISOPOOH=OH+0.9100D+00*HO2+...\n\n PROD( HPALD ) = RXRAT( 716 ) ! ISOPO2=HPALD+HO2\n LOSS( HPALD ) = RXRAT( 717 ) ! HPALD=OH+HO2+0.5000D+...\n & + RXRAT( 718 ) ! HPALD+OH=OH+PRD2\n\n PROD( HACET ) = 5.0000D-01 * RXRAT( 717 ) ! HPALD=0.5000D+00*HACET+HO2+...\n & + 2.1600D-01 * RXRAT( 728 ) ! HC5OO+NO=0.2160D+00*HACET+...\n & + 1.0800D-01 * RXRAT( 730 ) ! HC5OO+MEO2=0.1080D+...\n & + 1.0800D-01 * RXRAT( 731 ) ! HC5OO+RO2C=0.1080D+...\n & + 2.1600D-01 * RXRAT( 732 ) ! HC5OO+MECO3=0.2160D+...\n & + 1.5000D-01 * RXRAT( 733 ) ! HC5+O3=0.1500D+00*HACET+...\n & + 4.4000D-01 * RXRAT( 735 ) ! ISOPNOOD+NO=0.4400D+...\n & + 2.2000D-01 * RXRAT( 737 ) ! ISOPNOOD+MEO2=0.2200D+...\n & + 2.2000D-01 * RXRAT( 738 ) ! ISOPNOOD+RO2C=0.2200D+...\n & + 4.4000D-01 * RXRAT( 739 ) ! ISOPNOOD+MECO3=0.4400D+...\n & + 1.6000D-01 * RXRAT( 740 ) ! ISOPND+O3=0.1600D+00*HACET+...\n & + 6.0000D-01 * RXRAT( 742 ) ! ISOPNOOB+NO=0.6000D+...\n & + 3.0000D-01 * RXRAT( 744 ) ! ISOPNOOB+MEO2=0.3000D+...\n & + 3.0000D-01 * RXRAT( 745 ) ! ISOPNOOB+RO2C=0.3000D+...\n & + 6.0000D-01 * RXRAT( 746 ) ! ISOPNOOB+MECO3=0.6000D+...\n & + 4.0000D-02 * RXRAT( 747 ) ! ISOPNB+O3=0.4000D-01*HACET+...\n & + 4.8000D-01 * RXRAT( 769 ) ! DIBOO+NO=0.4800D+00*HACET+...\n & + 2.4000D-01 * RXRAT( 771 ) ! DIBOO+MEO2=0.2400D+...\n & + 2.4000D-01 * RXRAT( 772 ) ! DIBOO+RO2C=0.2400D+...\n & + 4.8000D-01 * RXRAT( 773 ) ! DIBOO+MECO3=0.4800D+...\n & + 7.2000D-01 * RXRAT( 780 ) ! MACROO+NO=0.7200D+00*HACET+...\n & + 4.2400D-01 * RXRAT( 782 ) ! MACROO+MEO2=0.4240D+...\n & + 4.2400D-01 * RXRAT( 783 ) ! MACROO+RO2C=0.4240D+...\n & + 8.5000D-01 * RXRAT( 784 ) ! MACROO+MECO3=0.8500D+...\n & + RXRAT( 795 ) ! MAPAN+OH=HACET+CO+NO2\n & + 8.5000D-01 * RXRAT( 807 ) ! MACRN+OH=0.8500D+00*HACET+...\n & + RXRAT( 808 ) ! MACRN=HACET+NO2+CO+HO2\n & + 5.0000D-01 * RXRAT( 809 ) ! DHMOB+OH=0.5000D+00*HACET+...\n & + 7.2500D-01 * RXRAT( 814 ) ! IEPOXOO+HO2=0.7250D+...\n & + 7.2500D-01 * RXRAT( 815 ) ! IEPOXOO+NO=0.7250D+...\n & + 3.6300D-01 * RXRAT( 816 ) ! IEPOXOO+MEO2=0.3630D+...\n & + 3.6300D-01 * RXRAT( 817 ) ! IEPOXOO+RO2C=0.3630D+...\n & + 7.2500D-01 * RXRAT( 818 ) ! IEPOXOO+MECO3=0.7250D+...\n & + RXRAT( 838 ) ! MACROO=HACET+CO+OH\n & + 3.0000D-02 * RXRAT( 877 ) ! IMAPAN+OH=0.3000D-01*HACET+...\n LOSS( HACET ) = RXRAT( 797 ) ! HACET+OH=0.7500D+00*MGLY+...\n & + RXRAT( 798 ) ! HACET=HO2+MECO3+HCHO\n\n PROD( NISOPO2 ) = RXRAT( 719 ) ! ISOPRENE+NO3=NISOPO2\n & + 3.0000D-01 * RXRAT( 822 ) ! NISOPOOH+OH=0.3000D+...\n LOSS( NISOPO2 ) = RXRAT( 720 ) ! NISOPO2+NO3=0.7000D+...\n & + RXRAT( 721 ) ! NISOPO2+NO=0.7000D+00*NIT1+...\n & + RXRAT( 722 ) ! NISOPO2+HO2=NISOPOOH\n & + RXRAT( 723 ) ! NISOPO2+MEO2=0.6000D+...\n & + RXRAT( 724 ) ! NISOPO2+RO2C=0.6000D+...\n & + 2.0000D+00 * RXRAT( 725 ) ! NISOPO2+NISOPO2=0.1200D+...\n & + RXRAT( 726 ) ! NISOPO2+MECO3=MEO2+CO2+...\n\n PROD( NIT1 ) = 7.0000D-01 * RXRAT( 720 ) ! NISOPO2+NO3=0.7000D+...\n & + 7.0000D-01 * RXRAT( 721 ) ! NISOPO2+NO=0.7000D+00*NIT1+...\n & + 6.0000D-01 * RXRAT( 723 ) ! NISOPO2+MEO2=0.6000D+...\n & + 6.0000D-01 * RXRAT( 724 ) ! NISOPO2+RO2C=0.6000D+...\n & + 1.2000D+00 * RXRAT( 725 ) ! NISOPO2+NISOPO2=0.1200D+...\n & + 7.0000D-01 * RXRAT( 726 ) ! NISOPO2+MECO3=0.7000D+...\n & + 7.0000D-01 * RXRAT( 822 ) ! NISOPOOH+OH=0.7000D+...\n LOSS( NIT1 ) = RXRAT( 748 ) ! NIT1+NO3=0.6000D+...\n & + RXRAT( 762 ) ! NIT1+O3=0.3000D+00*PROPNN+...\n & + RXRAT( 763 ) ! NIT1+OH=0.3450D+...\n\n PROD( NISOPOOH ) = RXRAT( 722 ) ! NISOPO2+HO2=NISOPOOH\n LOSS( NISOPOOH ) = RXRAT( 821 ) ! NISOPOOH+OH=RNO3I+OH\n & + RXRAT( 822 ) ! NISOPOOH+OH=0.3000D+...\n\n PROD( HC5OO ) = RXRAT( 727 ) ! HC5+OH=HC5OO\n LOSS( HC5OO ) = RXRAT( 728 ) ! HC5OO+NO=NO2+0.2340D+...\n & + RXRAT( 729 ) ! HC5OO+HO2=R6OOH\n & + RXRAT( 730 ) ! HC5OO+MEO2=0.1170D+...\n & + RXRAT( 731 ) ! HC5OO+RO2C=0.1170D+...\n & + RXRAT( 732 ) ! HC5OO+MECO3=MEO2+CO2+...\n\n PROD( DHMOB ) = 2.9000D-01 * RXRAT( 728 ) ! HC5OO+NO=0.2900D+00*DHMOB+...\n & + 1.4500D-01 * RXRAT( 730 ) ! HC5OO+MEO2=0.1450D+...\n & + 1.4500D-01 * RXRAT( 731 ) ! HC5OO+RO2C=0.1450D+...\n & + 2.9000D-01 * RXRAT( 732 ) ! HC5OO+MECO3=0.2900D+...\n LOSS( DHMOB ) = RXRAT( 809 ) ! DHMOB+OH=0.1500D+01*CO+...\n\n PROD( ISOPNOOD ) = RXRAT( 734 ) ! ISOPND+OH=ISOPNOOD\n LOSS( ISOPNOOD ) = RXRAT( 735 ) ! ISOPNOOD+NO=0.3400D+...\n & + RXRAT( 736 ) ! ISOPNOOD+HO2=RNO3I\n & + RXRAT( 737 ) ! ISOPNOOD+MEO2=0.1700D+...\n & + RXRAT( 738 ) ! ISOPNOOD+RO2C=0.1700D+...\n & + RXRAT( 739 ) ! ISOPNOOD+MECO3=MEO2+CO2+...\n\n PROD( PROPNN ) = 1.5000D-01 * RXRAT( 735 ) ! ISOPNOOD+NO=0.1500D+...\n & + 7.5000D-02 * RXRAT( 737 ) ! ISOPNOOD+MEO2=0.7500D-...\n & + 7.5000D-02 * RXRAT( 738 ) ! ISOPNOOD+RO2C=0.7500D-...\n & + 1.5000D-01 * RXRAT( 739 ) ! ISOPNOOD+MECO3=0.1500D+...\n & + 2.9000D-01 * RXRAT( 740 ) ! ISOPND+O3=0.2900D+...\n & + RXRAT( 749 ) ! NIT1NO3OOA+NO3=PROPNN+NO2+...\n & + RXRAT( 750 ) ! NIT1NO3OOA+NO=PROPNN+NO2+...\n & + RXRAT( 753 ) ! NIT1NO3OOA+RO2C=PROPNN+CO+...\n & + RXRAT( 754 ) ! NIT1NO3OOA+MEO2=PROPNN+CO+...\n & + RXRAT( 755 ) ! NIT1NO3OOA+MECO3=PROPNN+...\n & + 3.0000D-01 * RXRAT( 762 ) ! NIT1+O3=0.3000D+00*PROPNN+...\n & + 9.1900D-01 * RXRAT( 764 ) ! NIT1OHOO+NO=0.9190D+...\n & + 6.8900D-01 * RXRAT( 766 ) ! NIT1OHOO+RO2C=0.6890D+...\n & + 6.8900D-01 * RXRAT( 767 ) ! NIT1OHOO+MEO2=0.6890D+...\n & + 9.8400D-01 * RXRAT( 768 ) ! NIT1OHOO+MECO3=0.9840D+...\n & + RXRAT( 802 ) ! ISOPNN+OH=PROPNN+NO2\n LOSS( PROPNN ) = RXRAT( 801 ) ! PROPNN+OH=MGLY+NO2\n & + RXRAT( 803 ) ! PROPNN=MECO3+HCHO+NO2\n\n PROD( MVKN ) = 7.0000D-02 * RXRAT( 735 ) ! ISOPNOOD+NO=0.7000D-...\n & + 3.5000D-02 * RXRAT( 737 ) ! ISOPNOOD+MEO2=0.3500D-...\n & + 3.5000D-02 * RXRAT( 738 ) ! ISOPNOOD+RO2C=0.3500D-...\n & + 7.0000D-02 * RXRAT( 739 ) ! ISOPNOOD+MECO3=0.7000D-...\n & + 1.4000D-01 * RXRAT( 742 ) ! ISOPNOOB+NO=0.1400D+...\n & + 7.0000D-02 * RXRAT( 744 ) ! ISOPNOOB+MEO2=0.7000D-...\n & + 7.0000D-02 * RXRAT( 745 ) ! ISOPNOOB+RO2C=0.7000D-...\n & + 1.4000D-01 * RXRAT( 746 ) ! ISOPNOOB+MECO3=0.1400D+...\n & + 1.2000D-01 * RXRAT( 747 ) ! ISOPNB+O3=0.1200D+00*MVKN+...\n & + 1.1000D-01 * RXRAT( 775 ) ! MVKOO+NO=0.1100D+00*MVKN+...\n LOSS( MVKN ) = RXRAT( 805 ) ! MVKN+OH=0.6500D+00*HCOOH+...\n & + RXRAT( 806 ) ! MVKN=MECO3+NO2+HOCCHO\n\n PROD( ETHLN ) = 1.3000D-01 * RXRAT( 735 ) ! ISOPNOOD+NO=0.1300D+...\n & + 6.5000D-02 * RXRAT( 737 ) ! ISOPNOOD+MEO2=0.6500D-...\n & + 6.5000D-02 * RXRAT( 738 ) ! ISOPNOOD+RO2C=0.6500D-...\n & + 1.3000D-01 * RXRAT( 739 ) ! ISOPNOOD+MECO3=0.1300D+...\n & + 3.6000D-01 * RXRAT( 740 ) ! ISOPND+O3=0.3600D+00*ETHLN+...\n LOSS( ETHLN ) = RXRAT( 799 ) ! ETHLN+OH=HCHO+CO2+NO2\n & + RXRAT( 800 ) ! ETHLN=NO2+HCHO+HO2+CO\n\n PROD( RNO3I ) = RXRAT( 736 ) ! ISOPNOOD+HO2=RNO3I\n & + 5.0000D-01 * RXRAT( 737 ) ! ISOPNOOD+MEO2=0.5000D+...\n & + 5.0000D-01 * RXRAT( 738 ) ! ISOPNOOD+RO2C=0.5000D+...\n & + RXRAT( 743 ) ! ISOPNOOB+HO2=RNO3I\n & + 5.0000D-01 * RXRAT( 744 ) ! ISOPNOOB+MEO2=0.5000D+...\n & + 5.0000D-01 * RXRAT( 745 ) ! ISOPNOOB+RO2C=0.5000D+...\n & + 2.8000D-01 * RXRAT( 747 ) ! ISOPNB+O3=0.2800D+00*RNO3I+...\n & + 6.0000D-02 * RXRAT( 757 ) ! NIT1NO3OOB+NO=0.6000D-...\n & + RXRAT( 758 ) ! NIT1NO3OOB+HO2=RNO3I\n & + 3.0000D-01 * RXRAT( 759 ) ! NIT1NO3OOB+RO2C=0.3000D+...\n & + 3.0000D-01 * RXRAT( 760 ) ! NIT1NO3OOB+MEO2=0.3000D+...\n & + 8.1000D-02 * RXRAT( 764 ) ! NIT1OHOO+NO=0.8100D-...\n & + 3.1100D-01 * RXRAT( 766 ) ! NIT1OHOO+RO2C=0.3110D+...\n & + 3.1100D-01 * RXRAT( 767 ) ! NIT1OHOO+MEO2=0.3110D+...\n & + 1.6000D-02 * RXRAT( 768 ) ! NIT1OHOO+MECO3=0.1600D-...\n & + RXRAT( 821 ) ! NISOPOOH+OH=RNO3I+OH\n LOSS( RNO3I ) = RXRAT( 820 ) ! RNO3I+OH=NO2+HO2+PRD2\n\n PROD( ISOPNOOB ) = RXRAT( 741 ) ! ISOPNB+OH=ISOPNOOB\n LOSS( ISOPNOOB ) = RXRAT( 742 ) ! ISOPNOOB+NO=0.6000D+...\n & + RXRAT( 743 ) ! ISOPNOOB+HO2=RNO3I\n & + RXRAT( 744 ) ! ISOPNOOB+MEO2=0.3000D+...\n & + RXRAT( 745 ) ! ISOPNOOB+RO2C=0.3000D+...\n & + RXRAT( 746 ) ! ISOPNOOB+MECO3=MEO2+CO2+...\n\n PROD( MACRN ) = 2.6000D-01 * RXRAT( 742 ) ! ISOPNOOB+NO=0.2600D+...\n & + 1.3000D-01 * RXRAT( 744 ) ! ISOPNOOB+MEO2=0.1300D+...\n & + 1.3000D-01 * RXRAT( 745 ) ! ISOPNOOB+RO2C=0.1300D+...\n & + 2.6000D-01 * RXRAT( 746 ) ! ISOPNOOB+MECO3=0.2600D+...\n & + 3.2000D-01 * RXRAT( 747 ) ! ISOPNB+O3=0.3200D+00*MACRN+...\n & + 1.5000D-01 * RXRAT( 780 ) ! MACROO+NO=0.1500D+00*MACRN+...\n LOSS( MACRN ) = RXRAT( 807 ) ! MACRN+OH=0.8000D-01*CCOOH+...\n & + RXRAT( 808 ) ! MACRN=HACET+NO2+CO+HO2\n\n PROD( NIT1NO3OOA ) = 6.0000D-01 * RXRAT( 748 ) ! NIT1+NO3=0.6000D+...\n & + 3.4500D-01 * RXRAT( 763 ) ! NIT1+OH=0.3450D+...\n LOSS( NIT1NO3OOA ) = RXRAT( 749 ) ! NIT1NO3OOA+NO3=NO2+PROPNN+...\n & + RXRAT( 750 ) ! NIT1NO3OOA+NO=NO2+PROPNN+...\n & + RXRAT( 751 ) ! NIT1NO3OOA+NO2=MAPAN\n & + RXRAT( 752 ) ! NIT1NO3OOA+HO2=0.7500D+...\n & + RXRAT( 753 ) ! NIT1NO3OOA+RO2C=PROPNN+CO+...\n & + RXRAT( 754 ) ! NIT1NO3OOA+MEO2=PROPNN+CO+...\n & + RXRAT( 755 ) ! NIT1NO3OOA+MECO3=MEO2+...\n\n PROD( NIT1NO3OOB ) = 4.0000D-01 * RXRAT( 748 ) ! NIT1+NO3=0.4000D+...\n LOSS( NIT1NO3OOB ) = RXRAT( 756 ) ! NIT1NO3OOB+NO3=ISOPNN+GLY+NO2\n & + RXRAT( 757 ) ! NIT1NO3OOB+NO=0.9400D+...\n & + RXRAT( 758 ) ! NIT1NO3OOB+HO2=RNO3I\n & + RXRAT( 759 ) ! NIT1NO3OOB+RO2C=0.7000D+...\n & + RXRAT( 760 ) ! NIT1NO3OOB+MEO2=0.7000D+...\n & + RXRAT( 761 ) ! NIT1NO3OOB+MECO3=MEO2+CO2+...\n\n PROD( ISOPNN ) = RXRAT( 756 ) ! NIT1NO3OOB+NO3=ISOPNN+GLY+NO2\n & + 9.4000D-01 * RXRAT( 757 ) ! NIT1NO3OOB+NO=0.9400D+...\n & + 7.0000D-01 * RXRAT( 759 ) ! NIT1NO3OOB+RO2C=0.7000D+...\n & + 7.0000D-01 * RXRAT( 760 ) ! NIT1NO3OOB+MEO2=0.7000D+...\n & + RXRAT( 761 ) ! NIT1NO3OOB+MECO3=ISOPNN+...\n LOSS( ISOPNN ) = RXRAT( 802 ) ! ISOPNN+OH=PROPNN+NO2\n & + RXRAT( 804 ) ! ISOPNN=MECO3+HCHO+0.2000D+...\n\n PROD( NIT1OHOO ) = 6.5500D-01 * RXRAT( 763 ) ! NIT1+OH=0.6550D+...\n LOSS( NIT1OHOO ) = RXRAT( 764 ) ! NIT1OHOO+NO=0.9190D+...\n & + RXRAT( 765 ) ! NIT1OHOO+HO2=R6OOH\n & + RXRAT( 766 ) ! NIT1OHOO+RO2C=0.6890D+...\n & + RXRAT( 767 ) ! NIT1OHOO+MEO2=0.6890D+...\n & + RXRAT( 768 ) ! NIT1OHOO+MECO3=MEO2+CO2+...\n\n PROD( MVKOO ) = RXRAT( 774 ) ! MVK+OH=MVKOO\n LOSS( MVKOO ) = RXRAT( 775 ) ! MVKOO+NO=0.6250D+00*HOCCHO+...\n & + RXRAT( 776 ) ! MVKOO+HO2=ROOH\n & + RXRAT( 777 ) ! MVKOO+MEO2=0.3500D+...\n & + RXRAT( 778 ) ! MVKOO+RO2C=0.3500D+...\n & + RXRAT( 779 ) ! MVKOO+MECO3=MEO2+CO2+...\n\n PROD( MACROO ) = 5.3000D-01 * RXRAT( 823 ) ! MACR+OH=0.5300D+00*MACROO+...\n LOSS( MACROO ) = RXRAT( 780 ) ! MACROO+NO=0.8500D+00*NO2+...\n & + RXRAT( 781 ) ! MACROO+HO2=ROOH\n & + RXRAT( 782 ) ! MACROO+MEO2=HO2+0.4240D+...\n & + RXRAT( 783 ) ! MACROO+RO2C=0.5000D+00*HO2+...\n & + RXRAT( 784 ) ! MACROO+MECO3=MEO2+CO2+HO2+...\n & + RXRAT( 838 ) ! MACROO=HACET+CO+OH\n\n PROD( PYRUACD ) = 3.5000D-01 * RXRAT( 805 ) ! MVKN+OH=0.3500D+00*PYRUACD+...\n LOSS( PYRUACD ) = RXRAT( 810 ) ! PYRUACD=CCHO+CO2\n\n PROD( IEPOX ) = RXRAT( 811 ) ! ISOPOOH+OH=IEPOX+OH\n LOSS( IEPOX ) = RXRAT( 813 ) ! IEPOX+OH=IEPOXOO\n & + RXRAT( 893 ) ! IEPOX=IEPOXP\n\n PROD( IEPOXOO ) = RXRAT( 813 ) ! IEPOX+OH=IEPOXOO\n LOSS( IEPOXOO ) = RXRAT( 814 ) ! IEPOXOO+HO2=0.7250D+...\n & + RXRAT( 815 ) ! IEPOXOO+NO=0.7250D+...\n & + RXRAT( 816 ) ! IEPOXOO+MEO2=0.3630D+...\n & + RXRAT( 817 ) ! IEPOXOO+RO2C=0.3630D+...\n & + RXRAT( 818 ) ! IEPOXOO+MECO3=0.7250D+...\n\n PROD( IMPAA ) = 7.5000D-01 * RXRAT( 828 ) ! IMACO3+HO2=0.7500D+...\n LOSS( IMPAA ) = RXRAT( 880 ) ! IMPAA+OH=0.8300D+00*IMACO3+...\n\n PROD( IMAPAN ) = RXRAT( 839 ) ! IMACO3+NO2=IMAPAN\n LOSS( IMAPAN ) = RXRAT( 840 ) ! IMAPAN=IMACO3+NO2\n & + RXRAT( 841 ) ! IMAPAN=0.6000D+00*IMACO3+...\n & + RXRAT( 877 ) ! IMAPAN+OH=0.3000D-01*HACET+...\n\n PROD( IMAE ) = 2.1000D-01 * RXRAT( 877 ) ! IMAPAN+OH=0.2100D+00*IMAE+...\n LOSS( IMAE ) = RXRAT( 878 ) ! IMAE+OH=\n & + RXRAT( 894 ) ! IMAE=IMAEP\n\n PROD( IHMML ) = 5.7000D-01 * RXRAT( 877 ) ! IMAPAN+OH=0.5700D+00*IHMML+...\n & + 1.7000D-01 * RXRAT( 880 ) ! IMPAA+OH=0.1700D+00*IHMML+...\n LOSS( IHMML ) = RXRAT( 879 ) ! IHMML+OH=\n & + RXRAT( 895 ) ! IHMML=IHMMLP\n\n PROD( H2NO3PIJ ) = RXRAT( 885 ) ! N2O5=H2NO3PIJ+HNO3\n LOSS( H2NO3PIJ ) = RXRAT( 887 ) ! H2NO3PIJ=HNO3\n & + RXRAT( 889 ) ! H2NO3PIJ+ACLI=CLNO2\n & + RXRAT( 890 ) ! H2NO3PIJ+ACLJ=CLNO2\n\n PROD( H2NO3PK ) = RXRAT( 886 ) ! N2O5=H2NO3PK+HNO3\n LOSS( H2NO3PK ) = RXRAT( 888 ) ! H2NO3PK=HNO3\n & + RXRAT( 891 ) ! H2NO3PK+ACLK=CLNO2\n\n PROD( ACLI ) = 0.0D0\n LOSS( ACLI ) = RXRAT( 889 ) ! ACLI+H2NO3PIJ=CLNO2\n\n PROD( ACLJ ) = 0.0D0\n LOSS( ACLJ ) = RXRAT( 890 ) ! ACLJ+H2NO3PIJ=CLNO2\n\n PROD( ACLK ) = 0.0D0\n LOSS( ACLK ) = RXRAT( 891 ) ! ACLK+H2NO3PK=CLNO2\n\n PROD( IEPOXP ) = RXRAT( 893 ) ! IEPOX=IEPOXP\n LOSS( IEPOXP ) = RXRAT( 896 ) ! IEPOXP=AIETETJ\n & + RXRAT( 897 ) ! IEPOXP+ASO4J=AIEOSJ\n & + RXRAT( 898 ) ! IEPOXP+AIETETJ=ADIMJ\n & + RXRAT( 899 ) ! IEPOXP+AIEOSJ=ADIMJ\n\n PROD( IMAEP ) = RXRAT( 894 ) ! IMAE=IMAEP\n LOSS( IMAEP ) = RXRAT( 900 ) ! IMAEP=AIMGAJ\n & + RXRAT( 901 ) ! IMAEP+ASO4J=AIMOSJ\n\n PROD( IHMMLP ) = RXRAT( 895 ) ! IHMML=IHMMLP\n LOSS( IHMMLP ) = RXRAT( 902 ) ! IHMMLP=AIMGAJ\n & + RXRAT( 903 ) ! IHMMLP+ASO4J=AIMOSJ\n\n PROD( AIETETJ ) = RXRAT( 896 ) ! IEPOXP=AIETETJ\n LOSS( AIETETJ ) = RXRAT( 898 ) ! AIETETJ+IEPOXP=ADIMJ\n\n PROD( ASO4J ) = 0.0D0\n LOSS( ASO4J ) = RXRAT( 897 ) ! ASO4J+IEPOXP=AIEOSJ\n & + RXRAT( 901 ) ! ASO4J+IMAEP=AIMOSJ\n & + RXRAT( 903 ) ! ASO4J+IHMMLP=AIMOSJ\n\n PROD( AIEOSJ ) = RXRAT( 897 ) ! IEPOXP+ASO4J=AIEOSJ\n LOSS( AIEOSJ ) = RXRAT( 899 ) ! AIEOSJ+IEPOXP=ADIMJ\n\n PROD( ADIMJ ) = RXRAT( 898 ) ! IEPOXP+AIETETJ=ADIMJ\n & + RXRAT( 899 ) ! IEPOXP+AIEOSJ=ADIMJ\n LOSS( ADIMJ ) = 0.0D0\n\n PROD( AIMGAJ ) = RXRAT( 900 ) ! IMAEP=AIMGAJ\n & + RXRAT( 902 ) ! IHMMLP=AIMGAJ\n LOSS( AIMGAJ ) = 0.0D0\n\n PROD( AIMOSJ ) = RXRAT( 901 ) ! IMAEP+ASO4J=AIMOSJ\n & + RXRAT( 903 ) ! IHMMLP+ASO4J=AIMOSJ\n LOSS( AIMOSJ ) = 0.0D0\n\n PROD( AISO1J ) = 0.0D0\n LOSS( AISO1J ) = RXRAT( 905 ) ! AISO1J=0.5000D+00*AOLGBJ\n\n PROD( AOLGBJ ) = 5.0000D-01 * RXRAT( 905 ) ! AISO1J=0.5000D+00*AOLGBJ\n & + 5.0000D-01 * RXRAT( 906 ) ! AISO2J=0.5000D+00*AOLGBJ\n & + 1.5000D+00 * RXRAT( 907 ) ! ASQTJ=0.1500D+01*AOLGBJ\n LOSS( AOLGBJ ) = 0.0D0\n\n PROD( AISO2J ) = 0.0D0\n LOSS( AISO2J ) = RXRAT( 906 ) ! AISO2J=0.5000D+00*AOLGBJ\n\n PROD( ASQTJ ) = 0.0D0\n LOSS( ASQTJ ) = RXRAT( 907 ) ! ASQTJ=0.1500D+01*AOLGBJ\n\n PROD( AAVB2J ) = 0.0D0\n LOSS( AAVB2J ) = RXRAT( 908 ) ! AAVB2J=0.9070D+00*AOLGAJ\n\n PROD( AOLGAJ ) = 9.0700D-01 * RXRAT( 908 ) ! AAVB2J=0.9070D+00*AOLGAJ\n & + 9.2500D-01 * RXRAT( 909 ) ! AAVB3J=0.9250D+00*AOLGAJ\n & + 9.4300D-01 * RXRAT( 910 ) ! AAVB4J=0.9430D+00*AOLGAJ\n LOSS( AOLGAJ ) = 0.0D0\n\n PROD( AAVB3J ) = 0.0D0\n LOSS( AAVB3J ) = RXRAT( 909 ) ! AAVB3J=0.9250D+00*AOLGAJ\n\n PROD( AAVB4J ) = 0.0D0\n LOSS( AAVB4J ) = RXRAT( 910 ) ! AAVB4J=0.9430D+00*AOLGAJ\n\n PROD( APOCI ) = 0.0D0\n LOSS( APOCI ) = 0.0D0\n\n PROD( APNCOMI ) = 1.2500D+00 * RXRAT( 911 ) ! APOCI+OH=0.1250D+...\n LOSS( APNCOMI ) = RXRAT( 912 ) ! APNCOMI+OH=OH\n\n PROD( APOCJ ) = 0.0D0\n LOSS( APOCJ ) = 0.0D0\n\n PROD( APNCOMJ ) = 1.2500D+00 * RXRAT( 913 ) ! APOCJ+OH=0.1250D+...\n LOSS( APNCOMJ ) = RXRAT( 914 ) ! APNCOMJ+OH=OH\n\n PROD( PCVOC ) = 0.0D0\n LOSS( PCVOC ) = RXRAT( 915 ) ! PCVOC+OH=OH+PCSOARXN\n\n PROD( PCSOARXN ) = RXRAT( 915 ) ! PCVOC+OH=PCSOARXN+OH\n LOSS( PCSOARXN ) = 0.0D0\n\n PROD( VLVPO1 ) = 3.0030D-01 * RXRAT( 917 ) ! VSVPO1+OH=0.3003D+...\n & + 3.8560D-01 * RXRAT( 918 ) ! VSVPO2+OH=0.3856D+...\n & + 2.1810D-01 * RXRAT( 919 ) ! VSVPO3+OH=0.2181D+...\n & + 2.4120D-01 * RXRAT( 920 ) ! VIVPO1+OH=0.2412D+...\n LOSS( VLVPO1 ) = 5.1430D-01 * RXRAT( 916 ) ! VLVPO1+OH=0.4857D+...\n\n PROD( VSVPO1 ) = 6.2000D-03 * RXRAT( 916 ) ! VLVPO1+OH=0.6200D-...\n & + 9.5000D-02 * RXRAT( 918 ) ! VSVPO2+OH=0.9500D-...\n & + 3.0630D-01 * RXRAT( 919 ) ! VSVPO3+OH=0.3063D+...\n & + 2.0890D-01 * RXRAT( 920 ) ! VIVPO1+OH=0.2089D+...\n LOSS( VSVPO1 ) = 7.1380D-01 * RXRAT( 917 ) ! VSVPO1+OH=0.2862D+...\n\n PROD( VSVPO2 ) = 2.5000D-03 * RXRAT( 916 ) ! VLVPO1+OH=0.2500D-...\n & + 4.1000D-03 * RXRAT( 917 ) ! VSVPO1+OH=0.4100D-...\n & + 1.5300D-02 * RXRAT( 919 ) ! VSVPO3+OH=0.1530D-...\n & + 3.0000D-01 * RXRAT( 920 ) ! VIVPO1+OH=0.3000D+...\n LOSS( VSVPO2 ) = 8.6270D-01 * RXRAT( 918 ) ! VSVPO2+OH=0.1373D+...\n\n PROD( VSVPO3 ) = 2.6000D-03 * RXRAT( 916 ) ! VLVPO1+OH=0.2600D-...\n & + 3.5000D-03 * RXRAT( 917 ) ! VSVPO1+OH=0.3500D-...\n & + 5.0000D-04 * RXRAT( 918 ) ! VSVPO2+OH=0.5000D-...\n LOSS( VSVPO3 ) = 8.9570D-01 * RXRAT( 919 ) ! VSVPO3+OH=0.1043D+...\n\n PROD( VIVPO1 ) = 2.3000D-03 * RXRAT( 916 ) ! VLVPO1+OH=0.2300D-...\n LOSS( VIVPO1 ) = RXRAT( 920 ) ! VIVPO1+OH=OH+0.2412D+...\n\n PROD( VLVOO1 ) = 2.9440D-01 * RXRAT( 916 ) ! VLVPO1+OH=0.2944D+...\n & + 2.2390D-01 * RXRAT( 917 ) ! VSVPO1+OH=0.2239D+...\n & + 2.0510D-01 * RXRAT( 918 ) ! VSVPO2+OH=0.2051D+...\n & + 1.8930D-01 * RXRAT( 919 ) ! VSVPO3+OH=0.1893D+...\n & + 2.0280D-01 * RXRAT( 920 ) ! VIVPO1+OH=0.2028D+...\n & + 2.8580D-01 * RXRAT( 922 ) ! VLVOO2+OH=0.2858D+...\n & + 3.3030D-01 * RXRAT( 923 ) ! VSVOO1+OH=0.3303D+...\n & + 3.4440D-01 * RXRAT( 924 ) ! VSVOO2+OH=0.3444D+...\n & + 3.8860D-01 * RXRAT( 925 ) ! VSVOO3+OH=0.3886D+...\n LOSS( VLVOO1 ) = 3.3360D-01 * RXRAT( 921 ) ! VLVOO1+OH=0.6664D+...\n\n PROD( VLVOO2 ) = 2.0210D-01 * RXRAT( 916 ) ! VLVPO1+OH=0.2021D+...\n & + 1.8200D-01 * RXRAT( 917 ) ! VSVPO1+OH=0.1820D+...\n & + 1.7640D-01 * RXRAT( 918 ) ! VSVPO2+OH=0.1764D+...\n & + 1.6680D-01 * RXRAT( 919 ) ! VSVPO3+OH=0.1668D+...\n & + 4.7100D-02 * RXRAT( 920 ) ! VIVPO1+OH=0.4710D-...\n & + 1.4300D-02 * RXRAT( 921 ) ! VLVOO1+OH=0.1430D-...\n & + 2.2720D-01 * RXRAT( 923 ) ! VSVOO1+OH=0.2272D+...\n & + 2.7490D-01 * RXRAT( 924 ) ! VSVOO2+OH=0.2749D+...\n & + 2.4210D-01 * RXRAT( 925 ) ! VSVOO3+OH=0.2421D+...\n LOSS( VLVOO2 ) = 6.0690D-01 * RXRAT( 922 ) ! VLVOO2+OH=0.3931D+...\n\n PROD( VSVOO2 ) = 1.9000D-03 * RXRAT( 916 ) ! VLVPO1+OH=0.1900D-...\n & + 1.2390D-01 * RXRAT( 921 ) ! VLVOO1+OH=0.1239D+...\n & + 1.0270D-01 * RXRAT( 922 ) ! VLVOO2+OH=0.1027D+...\n & + 7.0200D-02 * RXRAT( 923 ) ! VSVOO1+OH=0.7020D-...\n & + 3.8500D-02 * RXRAT( 925 ) ! VSVOO3+OH=0.3850D-...\n LOSS( VSVOO2 ) = 7.4230D-01 * RXRAT( 924 ) ! VSVOO2+OH=0.2577D+...\n\n PROD( VSVOO3 ) = 2.3000D-03 * RXRAT( 916 ) ! VLVPO1+OH=0.2300D-...\n & + 1.8310D-01 * RXRAT( 921 ) ! VLVOO1+OH=0.1831D+...\n & + 2.0450D-01 * RXRAT( 922 ) ! VLVOO2+OH=0.2045D+...\n & + 1.1160D-01 * RXRAT( 923 ) ! VSVOO1+OH=0.1116D+...\n & + 7.3900D-02 * RXRAT( 924 ) ! VSVOO2+OH=0.7390D-...\n LOSS( VSVOO3 ) = 7.3330D-01 * RXRAT( 925 ) ! VSVOO3+OH=0.2667D+...\n\n PROD( VSVOO1 ) = 1.2300D-02 * RXRAT( 921 ) ! VLVOO1+OH=0.1230D-...\n & + 1.3900D-02 * RXRAT( 922 ) ! VLVOO2+OH=0.1390D-...\n & + 4.9100D-02 * RXRAT( 924 ) ! VSVOO2+OH=0.4910D-...\n & + 6.4000D-02 * RXRAT( 925 ) ! VSVOO3+OH=0.6400D-...\n LOSS( VSVOO1 ) = 7.3930D-01 * RXRAT( 923 ) ! VSVOO1+OH=0.2607D+...\n\n PROD( AMTNO3J ) = 0.0D0\n LOSS( AMTNO3J ) = RXRAT( 926 ) ! AMTNO3J=HNO3+AMTHYDJ\n\n PROD( AMTHYDJ ) = RXRAT( 926 ) ! AMTNO3J=AMTHYDJ+HNO3\n & + 5.0000D-01 * RXRAT( 927 ) ! AISOPNNJ=0.5000D+...\n LOSS( AMTHYDJ ) = 0.0D0\n\n PROD( AISOPNNJ ) = 0.0D0\n LOSS( AISOPNNJ ) = RXRAT( 927 ) ! AISOPNNJ=0.2000D+01*HNO3+...\n\n PROD( AGLYJ ) = RXRAT( 928 ) ! GLY=AGLYJ\n & + RXRAT( 929 ) ! MGLY=AGLYJ\n LOSS( AGLYJ ) = 0.0D0\n\n RETURN\n\n END\n" }, { "path": "CCTM/src/gas/ebi_saprc07tic_ae7i_aq/hrrates.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE HRRATES\n\nC***********************************************************************\nC\nC FUNCTION: To calculate rates of reactions\nC\nC PRECONDITIONS: For the SAPRC07TIC_AE7I_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 8, 2022\nC\nC***********************************************************************\n USE HRDATA\n\n IMPLICIT NONE\n\nC.....INCLUDES: NONE\n\n\nC.....ARGUMENTS: NONE\n\n\nC.....PARAMETERS: NONE\n\n\nC.....EXTERNAL FUNCTIONS: NONE\n\n\nC.....SAVED VARIABLES: NONE\n! CHARACTER( 16 ), SAVE :: PNAME = 'HRRATES' ! Program name\n\n\nC.....LOCAL VARIABLES: None\n\nC***********************************************************************\nC..NOTE: RXRAT commented out are not referenced by any routine\n! RXRAT( 1 ) = RKI( 1 ) * YC( NO2 )\n! RXRAT( 2 ) = RKI( 2 ) * YC( O3P )\n! RXRAT( 3 ) = RKI( 3 ) * YC( O3P ) * YC( O3 )\n! RXRAT( 4 ) = RKI( 4 ) * YC( O3P ) * YC( NO )\n! RXRAT( 5 ) = RKI( 5 ) * YC( O3P ) * YC( NO2 )\n RXRAT( 6 ) = RKI( 6 ) * YC( O3P ) * YC( NO2 )\n! RXRAT( 7 ) = RKI( 7 ) * YC( O3 ) * YC( NO )\n RXRAT( 8 ) = RKI( 8 ) * YC( O3 ) * YC( NO2 )\n RXRAT( 9 ) = RKI( 9 ) * YC( NO ) * YC( NO3 )\n! RXRAT( 10 ) = RKI( 10 ) * YC( NO ) * YC( NO )\n! RXRAT( 11 ) = RKI( 11 ) * YC( NO2 ) * YC( NO3 )\n RXRAT( 12 ) = RKI( 12 ) * YC( N2O5 )\n RXRAT( 13 ) = RKI( 13 ) * YC( N2O5 )\n RXRAT( 14 ) = RKI( 14 ) * YC( N2O5 )\n RXRAT( 15 ) = RKI( 15 ) * YC( NO2 ) * YC( NO3 )\n RXRAT( 16 ) = RKI( 16 ) * YC( NO3 )\n RXRAT( 17 ) = RKI( 17 ) * YC( NO3 )\n RXRAT( 18 ) = RKI( 18 ) * YC( O3 )\n RXRAT( 19 ) = RKI( 19 ) * YC( O3 )\n! RXRAT( 20 ) = RKI( 20 ) * YC( O1D )\n! RXRAT( 21 ) = RKI( 21 ) * YC( O1D )\n! RXRAT( 22 ) = RKI( 22 ) * YC( OH ) * YC( NO )\n RXRAT( 23 ) = RKI( 23 ) * YC( HONO )\n RXRAT( 24 ) = RKI( 24 ) * YC( OH ) * YC( HONO )\n RXRAT( 25 ) = RKI( 25 ) * YC( OH ) * YC( NO2 )\n RXRAT( 26 ) = RKI( 26 ) * YC( OH ) * YC( NO3 )\n RXRAT( 27 ) = RKI( 27 ) * YC( OH ) * YC( HNO3 )\n RXRAT( 28 ) = RKI( 28 ) * YC( HNO3 )\n RXRAT( 29 ) = RKI( 29 ) * YC( OH ) * YC( CO )\n! RXRAT( 30 ) = RKI( 30 ) * YC( OH ) * YC( O3 )\n! RXRAT( 31 ) = RKI( 31 ) * YC( HO2 ) * YC( NO )\n! RXRAT( 32 ) = RKI( 32 ) * YC( HO2 ) * YC( NO2 )\n RXRAT( 33 ) = RKI( 33 ) * YC( HNO4 )\n RXRAT( 34 ) = RKI( 34 ) * YC( HNO4 )\n RXRAT( 35 ) = RKI( 35 ) * YC( HNO4 ) * YC( OH )\n! RXRAT( 36 ) = RKI( 36 ) * YC( HO2 ) * YC( O3 )\n RXRAT( 37 ) = RKI( 37 ) * YC( HO2 ) * YC( HO2 )\n RXRAT( 38 ) = RKI( 38 ) * YC( HO2 ) * YC( HO2 )\n RXRAT( 39 ) = RKI( 39 ) * YC( NO3 ) * YC( HO2 )\n RXRAT( 40 ) = RKI( 40 ) * YC( NO3 ) * YC( NO3 )\n RXRAT( 41 ) = RKI( 41 ) * YC( HO2H )\n RXRAT( 42 ) = RKI( 42 ) * YC( HO2H ) * YC( OH )\n! RXRAT( 43 ) = RKI( 43 ) * YC( OH ) * YC( HO2 )\n RXRAT( 44 ) = RKI( 44 ) * YC( OH ) * YC( SO2 )\n! RXRAT( 45 ) = RKI( 45 ) * YC( OH )\n RXRAT( 46 ) = RKI( 46 ) * YC( MEO2 ) * YC( NO )\n RXRAT( 47 ) = RKI( 47 ) * YC( MEO2 ) * YC( HO2 )\n RXRAT( 48 ) = RKI( 48 ) * YC( MEO2 ) * YC( HO2 )\n RXRAT( 49 ) = RKI( 49 ) * YC( MEO2 ) * YC( NO3 )\n RXRAT( 50 ) = RKI( 50 ) * YC( MEO2 ) * YC( MEO2 )\n RXRAT( 51 ) = RKI( 51 ) * YC( MEO2 ) * YC( MEO2 )\n RXRAT( 52 ) = RKI( 52 ) * YC( RO2C ) * YC( NO )\n RXRAT( 53 ) = RKI( 53 ) * YC( RO2C ) * YC( HO2 )\n RXRAT( 54 ) = RKI( 54 ) * YC( RO2C ) * YC( NO3 )\n RXRAT( 55 ) = RKI( 55 ) * YC( RO2C ) * YC( MEO2 )\n RXRAT( 56 ) = RKI( 56 ) * YC( RO2C ) * YC( RO2C )\n RXRAT( 57 ) = RKI( 57 ) * YC( RO2XC ) * YC( NO )\n RXRAT( 58 ) = RKI( 58 ) * YC( RO2XC ) * YC( HO2 )\n RXRAT( 59 ) = RKI( 59 ) * YC( RO2XC ) * YC( NO3 )\n RXRAT( 60 ) = RKI( 60 ) * YC( RO2XC ) * YC( MEO2 )\n RXRAT( 61 ) = RKI( 61 ) * YC( RO2XC ) * YC( RO2C )\n RXRAT( 62 ) = RKI( 62 ) * YC( RO2XC ) * YC( RO2XC )\n! RXRAT( 63 ) = RKI( 63 ) * YC( MECO3 ) * YC( NO2 )\n RXRAT( 64 ) = RKI( 64 ) * YC( PAN )\n RXRAT( 65 ) = RKI( 65 ) * YC( PAN )\n RXRAT( 66 ) = RKI( 66 ) * YC( MECO3 ) * YC( NO )\n RXRAT( 67 ) = RKI( 67 ) * YC( MECO3 ) * YC( HO2 )\n RXRAT( 68 ) = RKI( 68 ) * YC( MECO3 ) * YC( NO3 )\n RXRAT( 69 ) = RKI( 69 ) * YC( MECO3 ) * YC( MEO2 )\n RXRAT( 70 ) = RKI( 70 ) * YC( MECO3 ) * YC( RO2C )\n RXRAT( 71 ) = RKI( 71 ) * YC( MECO3 ) * YC( RO2XC )\n RXRAT( 72 ) = RKI( 72 ) * YC( MECO3 ) * YC( MECO3 )\n RXRAT( 73 ) = RKI( 73 ) * YC( RCO3 ) * YC( NO2 )\n RXRAT( 74 ) = RKI( 74 ) * YC( PAN2 )\n RXRAT( 75 ) = RKI( 75 ) * YC( PAN2 )\n RXRAT( 76 ) = RKI( 76 ) * YC( RCO3 ) * YC( NO )\n RXRAT( 77 ) = RKI( 77 ) * YC( RCO3 ) * YC( HO2 )\n RXRAT( 78 ) = RKI( 78 ) * YC( RCO3 ) * YC( NO3 )\n RXRAT( 79 ) = RKI( 79 ) * YC( RCO3 ) * YC( MEO2 )\n RXRAT( 80 ) = RKI( 80 ) * YC( RCO3 ) * YC( RO2C )\n RXRAT( 81 ) = RKI( 81 ) * YC( RCO3 ) * YC( RO2XC )\n RXRAT( 82 ) = RKI( 82 ) * YC( RCO3 ) * YC( MECO3 )\n RXRAT( 83 ) = RKI( 83 ) * YC( RCO3 ) * YC( RCO3 )\n RXRAT( 84 ) = RKI( 84 ) * YC( BZCO3 ) * YC( NO2 )\n RXRAT( 85 ) = RKI( 85 ) * YC( PBZN )\n RXRAT( 86 ) = RKI( 86 ) * YC( PBZN )\n RXRAT( 87 ) = RKI( 87 ) * YC( BZCO3 ) * YC( NO )\n RXRAT( 88 ) = RKI( 88 ) * YC( BZCO3 ) * YC( HO2 )\n RXRAT( 89 ) = RKI( 89 ) * YC( BZCO3 ) * YC( NO3 )\n RXRAT( 90 ) = RKI( 90 ) * YC( BZCO3 ) * YC( MEO2 )\n RXRAT( 91 ) = RKI( 91 ) * YC( BZCO3 ) * YC( RO2C )\n RXRAT( 92 ) = RKI( 92 ) * YC( BZCO3 ) * YC( RO2XC )\n RXRAT( 93 ) = RKI( 93 ) * YC( BZCO3 ) * YC( MECO3 )\n RXRAT( 94 ) = RKI( 94 ) * YC( BZCO3 ) * YC( RCO3 )\n RXRAT( 95 ) = RKI( 95 ) * YC( BZCO3 ) * YC( BZCO3 )\n RXRAT( 96 ) = RKI( 96 ) * YC( MACO3 ) * YC( NO2 )\n RXRAT( 97 ) = RKI( 97 ) * YC( MAPAN )\n RXRAT( 98 ) = RKI( 98 ) * YC( MAPAN )\n RXRAT( 99 ) = RKI( 99 ) * YC( TBUO ) * YC( NO2 )\n RXRAT( 100 ) = RKI( 100 ) * YC( TBUO )\n RXRAT( 101 ) = RKI( 101 ) * YC( BZO ) * YC( NO2 )\n RXRAT( 102 ) = RKI( 102 ) * YC( BZO ) * YC( HO2 )\n RXRAT( 103 ) = RKI( 103 ) * YC( BZO )\n RXRAT( 104 ) = RKI( 104 ) * YC( xHO2 ) * YC( NO )\n RXRAT( 105 ) = RKI( 105 ) * YC( xHO2 ) * YC( HO2 )\n RXRAT( 106 ) = RKI( 106 ) * YC( xHO2 ) * YC( NO3 )\n RXRAT( 107 ) = RKI( 107 ) * YC( xHO2 ) * YC( MEO2 )\n RXRAT( 108 ) = RKI( 108 ) * YC( xHO2 ) * YC( RO2C )\n RXRAT( 109 ) = RKI( 109 ) * YC( xHO2 ) * YC( RO2XC )\n RXRAT( 110 ) = RKI( 110 ) * YC( xHO2 ) * YC( MECO3 )\n RXRAT( 111 ) = RKI( 111 ) * YC( xHO2 ) * YC( RCO3 )\n RXRAT( 112 ) = RKI( 112 ) * YC( xHO2 ) * YC( BZCO3 )\n RXRAT( 113 ) = RKI( 113 ) * YC( xHO2 ) * YC( MACO3 )\n RXRAT( 114 ) = RKI( 114 ) * YC( xOH ) * YC( NO )\n RXRAT( 115 ) = RKI( 115 ) * YC( xOH ) * YC( HO2 )\n RXRAT( 116 ) = RKI( 116 ) * YC( xOH ) * YC( NO3 )\n RXRAT( 117 ) = RKI( 117 ) * YC( xOH ) * YC( MEO2 )\n RXRAT( 118 ) = RKI( 118 ) * YC( xOH ) * YC( RO2C )\n RXRAT( 119 ) = RKI( 119 ) * YC( xOH ) * YC( RO2XC )\n RXRAT( 120 ) = RKI( 120 ) * YC( xOH ) * YC( MECO3 )\n RXRAT( 121 ) = RKI( 121 ) * YC( xOH ) * YC( RCO3 )\n RXRAT( 122 ) = RKI( 122 ) * YC( xOH ) * YC( BZCO3 )\n RXRAT( 123 ) = RKI( 123 ) * YC( xOH ) * YC( MACO3 )\n RXRAT( 124 ) = RKI( 124 ) * YC( xNO2 ) * YC( NO )\n RXRAT( 125 ) = RKI( 125 ) * YC( xNO2 ) * YC( HO2 )\n RXRAT( 126 ) = RKI( 126 ) * YC( xNO2 ) * YC( NO3 )\n RXRAT( 127 ) = RKI( 127 ) * YC( xNO2 ) * YC( MEO2 )\n RXRAT( 128 ) = RKI( 128 ) * YC( xNO2 ) * YC( RO2C )\n RXRAT( 129 ) = RKI( 129 ) * YC( xNO2 ) * YC( RO2XC )\n RXRAT( 130 ) = RKI( 130 ) * YC( xNO2 ) * YC( MECO3 )\n RXRAT( 131 ) = RKI( 131 ) * YC( xNO2 ) * YC( RCO3 )\n RXRAT( 132 ) = RKI( 132 ) * YC( xNO2 ) * YC( BZCO3 )\n RXRAT( 133 ) = RKI( 133 ) * YC( xNO2 ) * YC( MACO3 )\n RXRAT( 134 ) = RKI( 134 ) * YC( xMEO2 ) * YC( NO )\n RXRAT( 135 ) = RKI( 135 ) * YC( xMEO2 ) * YC( HO2 )\n RXRAT( 136 ) = RKI( 136 ) * YC( xMEO2 ) * YC( NO3 )\n RXRAT( 137 ) = RKI( 137 ) * YC( xMEO2 ) * YC( MEO2 )\n RXRAT( 138 ) = RKI( 138 ) * YC( xMEO2 ) * YC( RO2C )\n RXRAT( 139 ) = RKI( 139 ) * YC( xMEO2 ) * YC( RO2XC )\n RXRAT( 140 ) = RKI( 140 ) * YC( xMEO2 ) * YC( MECO3 )\n RXRAT( 141 ) = RKI( 141 ) * YC( xMEO2 ) * YC( RCO3 )\n RXRAT( 142 ) = RKI( 142 ) * YC( xMEO2 ) * YC( BZCO3 )\n RXRAT( 143 ) = RKI( 143 ) * YC( xMEO2 ) * YC( MACO3 )\n RXRAT( 144 ) = RKI( 144 ) * YC( xMECO3 ) * YC( NO )\n RXRAT( 145 ) = RKI( 145 ) * YC( xMECO3 ) * YC( HO2 )\n RXRAT( 146 ) = RKI( 146 ) * YC( xMECO3 ) * YC( NO3 )\n RXRAT( 147 ) = RKI( 147 ) * YC( xMECO3 ) * YC( MEO2 )\n RXRAT( 148 ) = RKI( 148 ) * YC( xMECO3 ) * YC( RO2C )\n RXRAT( 149 ) = RKI( 149 ) * YC( xMECO3 ) * YC( RO2XC )\n RXRAT( 150 ) = RKI( 150 ) * YC( xMECO3 ) * YC( MECO3 )\n RXRAT( 151 ) = RKI( 151 ) * YC( xMECO3 ) * YC( RCO3 )\n RXRAT( 152 ) = RKI( 152 ) * YC( xMECO3 ) * YC( BZCO3 )\n RXRAT( 153 ) = RKI( 153 ) * YC( xMECO3 ) * YC( MACO3 )\n RXRAT( 154 ) = RKI( 154 ) * YC( xRCO3 ) * YC( NO )\n RXRAT( 155 ) = RKI( 155 ) * YC( xRCO3 ) * YC( HO2 )\n RXRAT( 156 ) = RKI( 156 ) * YC( xRCO3 ) * YC( NO3 )\n RXRAT( 157 ) = RKI( 157 ) * YC( xRCO3 ) * YC( MEO2 )\n RXRAT( 158 ) = RKI( 158 ) * YC( xRCO3 ) * YC( RO2C )\n RXRAT( 159 ) = RKI( 159 ) * YC( xRCO3 ) * YC( RO2XC )\n RXRAT( 160 ) = RKI( 160 ) * YC( xRCO3 ) * YC( MECO3 )\n RXRAT( 161 ) = RKI( 161 ) * YC( xRCO3 ) * YC( RCO3 )\n RXRAT( 162 ) = RKI( 162 ) * YC( xRCO3 ) * YC( BZCO3 )\n RXRAT( 163 ) = RKI( 163 ) * YC( xRCO3 ) * YC( MACO3 )\n RXRAT( 164 ) = RKI( 164 ) * YC( xMACO3 ) * YC( NO )\n RXRAT( 165 ) = RKI( 165 ) * YC( xMACO3 ) * YC( HO2 )\n RXRAT( 166 ) = RKI( 166 ) * YC( xMACO3 ) * YC( NO3 )\n RXRAT( 167 ) = RKI( 167 ) * YC( xMACO3 ) * YC( MEO2 )\n RXRAT( 168 ) = RKI( 168 ) * YC( xMACO3 ) * YC( RO2C )\n RXRAT( 169 ) = RKI( 169 ) * YC( xMACO3 ) * YC( RO2XC )\n RXRAT( 170 ) = RKI( 170 ) * YC( xMACO3 ) * YC( MECO3 )\n RXRAT( 171 ) = RKI( 171 ) * YC( xMACO3 ) * YC( RCO3 )\n RXRAT( 172 ) = RKI( 172 ) * YC( xMACO3 ) * YC( BZCO3 )\n RXRAT( 173 ) = RKI( 173 ) * YC( xMACO3 ) * YC( MACO3 )\n RXRAT( 174 ) = RKI( 174 ) * YC( xTBUO ) * YC( NO )\n RXRAT( 175 ) = RKI( 175 ) * YC( xTBUO ) * YC( HO2 )\n RXRAT( 176 ) = RKI( 176 ) * YC( xTBUO ) * YC( NO3 )\n RXRAT( 177 ) = RKI( 177 ) * YC( xTBUO ) * YC( MEO2 )\n RXRAT( 178 ) = RKI( 178 ) * YC( xTBUO ) * YC( RO2C )\n RXRAT( 179 ) = RKI( 179 ) * YC( xTBUO ) * YC( RO2XC )\n RXRAT( 180 ) = RKI( 180 ) * YC( xTBUO ) * YC( MECO3 )\n RXRAT( 181 ) = RKI( 181 ) * YC( xTBUO ) * YC( RCO3 )\n RXRAT( 182 ) = RKI( 182 ) * YC( xTBUO ) * YC( BZCO3 )\n RXRAT( 183 ) = RKI( 183 ) * YC( xTBUO ) * YC( MACO3 )\n RXRAT( 184 ) = RKI( 184 ) * YC( xCO ) * YC( NO )\n RXRAT( 185 ) = RKI( 185 ) * YC( xCO ) * YC( HO2 )\n RXRAT( 186 ) = RKI( 186 ) * YC( xCO ) * YC( NO3 )\n RXRAT( 187 ) = RKI( 187 ) * YC( xCO ) * YC( MEO2 )\n RXRAT( 188 ) = RKI( 188 ) * YC( xCO ) * YC( RO2C )\n RXRAT( 189 ) = RKI( 189 ) * YC( xCO ) * YC( RO2XC )\n RXRAT( 190 ) = RKI( 190 ) * YC( xCO ) * YC( MECO3 )\n RXRAT( 191 ) = RKI( 191 ) * YC( xCO ) * YC( RCO3 )\n RXRAT( 192 ) = RKI( 192 ) * YC( xCO ) * YC( BZCO3 )\n RXRAT( 193 ) = RKI( 193 ) * YC( xCO ) * YC( MACO3 )\n RXRAT( 194 ) = RKI( 194 ) * YC( HCHO )\n RXRAT( 195 ) = RKI( 195 ) * YC( HCHO )\n RXRAT( 196 ) = RKI( 196 ) * YC( HCHO ) * YC( OH )\n RXRAT( 197 ) = RKI( 197 ) * YC( HCHO ) * YC( NO3 )\n RXRAT( 198 ) = RKI( 198 ) * YC( CCHO ) * YC( OH )\n RXRAT( 199 ) = RKI( 199 ) * YC( CCHO )\n RXRAT( 200 ) = RKI( 200 ) * YC( CCHO ) * YC( NO3 )\n RXRAT( 201 ) = RKI( 201 ) * YC( RCHO ) * YC( OH )\n RXRAT( 202 ) = RKI( 202 ) * YC( RCHO )\n RXRAT( 203 ) = RKI( 203 ) * YC( RCHO ) * YC( NO3 )\n RXRAT( 204 ) = RKI( 204 ) * YC( ACETONE ) * YC( OH )\n RXRAT( 205 ) = RKI( 205 ) * YC( ACETONE )\n RXRAT( 206 ) = RKI( 206 ) * YC( MEK ) * YC( OH )\n RXRAT( 207 ) = RKI( 207 ) * YC( MEK )\n RXRAT( 208 ) = RKI( 208 ) * YC( MEOH ) * YC( OH )\n RXRAT( 209 ) = RKI( 209 ) * YC( HCOOH ) * YC( OH )\n RXRAT( 210 ) = RKI( 210 ) * YC( CCOOH ) * YC( OH )\n RXRAT( 211 ) = RKI( 211 ) * YC( RCOOH ) * YC( OH )\n RXRAT( 212 ) = RKI( 212 ) * YC( COOH ) * YC( OH )\n RXRAT( 213 ) = RKI( 213 ) * YC( COOH )\n RXRAT( 214 ) = RKI( 214 ) * YC( ROOH ) * YC( OH )\n RXRAT( 215 ) = RKI( 215 ) * YC( ROOH )\n RXRAT( 216 ) = RKI( 216 ) * YC( R6OOH ) * YC( OH )\n RXRAT( 217 ) = RKI( 217 ) * YC( R6OOH )\n RXRAT( 218 ) = RKI( 218 ) * YC( RAOOH ) * YC( OH )\n RXRAT( 219 ) = RKI( 219 ) * YC( RAOOH )\n RXRAT( 220 ) = RKI( 220 ) * YC( GLY )\n RXRAT( 221 ) = RKI( 221 ) * YC( GLY )\n RXRAT( 222 ) = RKI( 222 ) * YC( GLY ) * YC( OH )\n RXRAT( 223 ) = RKI( 223 ) * YC( GLY ) * YC( NO3 )\n RXRAT( 224 ) = RKI( 224 ) * YC( MGLY )\n RXRAT( 225 ) = RKI( 225 ) * YC( MGLY ) * YC( OH )\n RXRAT( 226 ) = RKI( 226 ) * YC( MGLY ) * YC( NO3 )\n RXRAT( 227 ) = RKI( 227 ) * YC( BACL )\n RXRAT( 228 ) = RKI( 228 ) * YC( CRES ) * YC( OH )\n RXRAT( 229 ) = RKI( 229 ) * YC( CRES ) * YC( NO3 )\n RXRAT( 230 ) = RKI( 230 ) * YC( NPHE ) * YC( OH )\n RXRAT( 231 ) = RKI( 231 ) * YC( NPHE )\n RXRAT( 232 ) = RKI( 232 ) * YC( NPHE )\n RXRAT( 233 ) = RKI( 233 ) * YC( BALD ) * YC( OH )\n RXRAT( 234 ) = RKI( 234 ) * YC( BALD )\n RXRAT( 235 ) = RKI( 235 ) * YC( BALD ) * YC( NO3 )\n RXRAT( 236 ) = RKI( 236 ) * YC( AFG1 ) * YC( OH )\n RXRAT( 237 ) = RKI( 237 ) * YC( AFG1 ) * YC( O3 )\n RXRAT( 238 ) = RKI( 238 ) * YC( AFG1 )\n RXRAT( 239 ) = RKI( 239 ) * YC( AFG2 ) * YC( OH )\n RXRAT( 240 ) = RKI( 240 ) * YC( AFG2 ) * YC( O3 )\n RXRAT( 241 ) = RKI( 241 ) * YC( AFG2 )\n RXRAT( 242 ) = RKI( 242 ) * YC( AFG3 ) * YC( OH )\n RXRAT( 243 ) = RKI( 243 ) * YC( AFG3 ) * YC( O3 )\n RXRAT( 244 ) = RKI( 244 ) * YC( MACR ) * YC( O3 )\n RXRAT( 245 ) = RKI( 245 ) * YC( MACR ) * YC( O3P )\n RXRAT( 246 ) = RKI( 246 ) * YC( MVK ) * YC( O3 )\n RXRAT( 247 ) = RKI( 247 ) * YC( MVK ) * YC( O3P )\n RXRAT( 248 ) = RKI( 248 ) * YC( MVK )\n RXRAT( 249 ) = RKI( 249 ) * YC( IPRD ) * YC( OH )\n RXRAT( 250 ) = RKI( 250 ) * YC( IPRD ) * YC( O3 )\n RXRAT( 251 ) = RKI( 251 ) * YC( IPRD ) * YC( NO3 )\n RXRAT( 252 ) = RKI( 252 ) * YC( IPRD )\n RXRAT( 253 ) = RKI( 253 ) * YC( PRD2 ) * YC( OH )\n RXRAT( 254 ) = RKI( 254 ) * YC( PRD2 )\n RXRAT( 255 ) = RKI( 255 ) * YC( RNO3 ) * YC( OH )\n RXRAT( 256 ) = RKI( 256 ) * YC( RNO3 )\n RXRAT( 257 ) = RKI( 257 ) * YC( HOCCHO )\n RXRAT( 258 ) = RKI( 258 ) * YC( HOCCHO ) * YC( NO3 )\n RXRAT( 259 ) = RKI( 259 ) * YC( ACROLEIN ) * YC( OH )\n RXRAT( 260 ) = RKI( 260 ) * YC( ACROLEIN ) * YC( O3 )\n RXRAT( 261 ) = RKI( 261 ) * YC( ACROLEIN ) * YC( NO3 )\n RXRAT( 262 ) = RKI( 262 ) * YC( ACROLEIN ) * YC( O3P )\n RXRAT( 263 ) = RKI( 263 ) * YC( ACROLEIN )\n RXRAT( 264 ) = RKI( 264 ) * YC( CCOOOH ) * YC( OH )\n RXRAT( 265 ) = RKI( 265 ) * YC( CCOOOH )\n RXRAT( 266 ) = RKI( 266 ) * YC( RCOOOH ) * YC( OH )\n RXRAT( 267 ) = RKI( 267 ) * YC( RCOOOH )\n RXRAT( 268 ) = RKI( 268 ) * YC( HCOCO3 ) * YC( NO )\n RXRAT( 269 ) = RKI( 269 ) * YC( HCOCO3 ) * YC( NO2 )\n RXRAT( 270 ) = RKI( 270 ) * YC( HCOCO3 ) * YC( HO2 )\n RXRAT( 271 ) = RKI( 271 ) * YC( xHCHO ) * YC( NO )\n RXRAT( 272 ) = RKI( 272 ) * YC( xHCHO ) * YC( HO2 )\n RXRAT( 273 ) = RKI( 273 ) * YC( xHCHO ) * YC( NO3 )\n RXRAT( 274 ) = RKI( 274 ) * YC( xHCHO ) * YC( MEO2 )\n RXRAT( 275 ) = RKI( 275 ) * YC( xHCHO ) * YC( RO2C )\n RXRAT( 276 ) = RKI( 276 ) * YC( xHCHO ) * YC( RO2XC )\n RXRAT( 277 ) = RKI( 277 ) * YC( xHCHO ) * YC( MECO3 )\n RXRAT( 278 ) = RKI( 278 ) * YC( xHCHO ) * YC( RCO3 )\n RXRAT( 279 ) = RKI( 279 ) * YC( xHCHO ) * YC( BZCO3 )\n RXRAT( 280 ) = RKI( 280 ) * YC( xHCHO ) * YC( MACO3 )\n RXRAT( 281 ) = RKI( 281 ) * YC( xCCHO ) * YC( NO )\n RXRAT( 282 ) = RKI( 282 ) * YC( xCCHO ) * YC( HO2 )\n RXRAT( 283 ) = RKI( 283 ) * YC( xCCHO ) * YC( NO3 )\n RXRAT( 284 ) = RKI( 284 ) * YC( xCCHO ) * YC( MEO2 )\n RXRAT( 285 ) = RKI( 285 ) * YC( xCCHO ) * YC( RO2C )\n RXRAT( 286 ) = RKI( 286 ) * YC( xCCHO ) * YC( RO2XC )\n RXRAT( 287 ) = RKI( 287 ) * YC( xCCHO ) * YC( MECO3 )\n RXRAT( 288 ) = RKI( 288 ) * YC( xCCHO ) * YC( RCO3 )\n RXRAT( 289 ) = RKI( 289 ) * YC( xCCHO ) * YC( BZCO3 )\n RXRAT( 290 ) = RKI( 290 ) * YC( xCCHO ) * YC( MACO3 )\n RXRAT( 291 ) = RKI( 291 ) * YC( xRCHO ) * YC( NO )\n RXRAT( 292 ) = RKI( 292 ) * YC( xRCHO ) * YC( HO2 )\n RXRAT( 293 ) = RKI( 293 ) * YC( xRCHO ) * YC( NO3 )\n RXRAT( 294 ) = RKI( 294 ) * YC( xRCHO ) * YC( MEO2 )\n RXRAT( 295 ) = RKI( 295 ) * YC( xRCHO ) * YC( RO2C )\n RXRAT( 296 ) = RKI( 296 ) * YC( xRCHO ) * YC( RO2XC )\n RXRAT( 297 ) = RKI( 297 ) * YC( xRCHO ) * YC( MECO3 )\n RXRAT( 298 ) = RKI( 298 ) * YC( xRCHO ) * YC( RCO3 )\n RXRAT( 299 ) = RKI( 299 ) * YC( xRCHO ) * YC( BZCO3 )\n RXRAT( 300 ) = RKI( 300 ) * YC( xRCHO ) * YC( MACO3 )\n RXRAT( 301 ) = RKI( 301 ) * YC( xACETONE ) * YC( NO )\n RXRAT( 302 ) = RKI( 302 ) * YC( xACETONE ) * YC( HO2 )\n RXRAT( 303 ) = RKI( 303 ) * YC( xACETONE ) * YC( NO3 )\n RXRAT( 304 ) = RKI( 304 ) * YC( xACETONE ) * YC( MEO2 )\n RXRAT( 305 ) = RKI( 305 ) * YC( xACETONE ) * YC( RO2C )\n RXRAT( 306 ) = RKI( 306 ) * YC( xACETONE ) * YC( RO2XC )\n RXRAT( 307 ) = RKI( 307 ) * YC( xACETONE ) * YC( MECO3 )\n RXRAT( 308 ) = RKI( 308 ) * YC( xACETONE ) * YC( RCO3 )\n RXRAT( 309 ) = RKI( 309 ) * YC( xACETONE ) * YC( BZCO3 )\n RXRAT( 310 ) = RKI( 310 ) * YC( xACETONE ) * YC( MACO3 )\n RXRAT( 311 ) = RKI( 311 ) * YC( xMEK ) * YC( NO )\n RXRAT( 312 ) = RKI( 312 ) * YC( xMEK ) * YC( HO2 )\n RXRAT( 313 ) = RKI( 313 ) * YC( xMEK ) * YC( NO3 )\n RXRAT( 314 ) = RKI( 314 ) * YC( xMEK ) * YC( MEO2 )\n RXRAT( 315 ) = RKI( 315 ) * YC( xMEK ) * YC( RO2C )\n RXRAT( 316 ) = RKI( 316 ) * YC( xMEK ) * YC( RO2XC )\n RXRAT( 317 ) = RKI( 317 ) * YC( xMEK ) * YC( MECO3 )\n RXRAT( 318 ) = RKI( 318 ) * YC( xMEK ) * YC( RCO3 )\n RXRAT( 319 ) = RKI( 319 ) * YC( xMEK ) * YC( BZCO3 )\n RXRAT( 320 ) = RKI( 320 ) * YC( xMEK ) * YC( MACO3 )\n RXRAT( 321 ) = RKI( 321 ) * YC( xPROD2 ) * YC( NO )\n RXRAT( 322 ) = RKI( 322 ) * YC( xPROD2 ) * YC( HO2 )\n RXRAT( 323 ) = RKI( 323 ) * YC( xPROD2 ) * YC( NO3 )\n RXRAT( 324 ) = RKI( 324 ) * YC( xPROD2 ) * YC( MEO2 )\n RXRAT( 325 ) = RKI( 325 ) * YC( xPROD2 ) * YC( RO2C )\n RXRAT( 326 ) = RKI( 326 ) * YC( xPROD2 ) * YC( RO2XC )\n RXRAT( 327 ) = RKI( 327 ) * YC( xPROD2 ) * YC( MECO3 )\n RXRAT( 328 ) = RKI( 328 ) * YC( xPROD2 ) * YC( RCO3 )\n RXRAT( 329 ) = RKI( 329 ) * YC( xPROD2 ) * YC( BZCO3 )\n RXRAT( 330 ) = RKI( 330 ) * YC( xPROD2 ) * YC( MACO3 )\n RXRAT( 331 ) = RKI( 331 ) * YC( xGLY ) * YC( NO )\n RXRAT( 332 ) = RKI( 332 ) * YC( xGLY ) * YC( HO2 )\n RXRAT( 333 ) = RKI( 333 ) * YC( xGLY ) * YC( NO3 )\n RXRAT( 334 ) = RKI( 334 ) * YC( xGLY ) * YC( MEO2 )\n RXRAT( 335 ) = RKI( 335 ) * YC( xGLY ) * YC( RO2C )\n RXRAT( 336 ) = RKI( 336 ) * YC( xGLY ) * YC( RO2XC )\n RXRAT( 337 ) = RKI( 337 ) * YC( xGLY ) * YC( MECO3 )\n RXRAT( 338 ) = RKI( 338 ) * YC( xGLY ) * YC( RCO3 )\n RXRAT( 339 ) = RKI( 339 ) * YC( xGLY ) * YC( BZCO3 )\n RXRAT( 340 ) = RKI( 340 ) * YC( xGLY ) * YC( MACO3 )\n RXRAT( 341 ) = RKI( 341 ) * YC( xMGLY ) * YC( NO )\n RXRAT( 342 ) = RKI( 342 ) * YC( xMGLY ) * YC( HO2 )\n RXRAT( 343 ) = RKI( 343 ) * YC( xMGLY ) * YC( NO3 )\n RXRAT( 344 ) = RKI( 344 ) * YC( xMGLY ) * YC( MEO2 )\n RXRAT( 345 ) = RKI( 345 ) * YC( xMGLY ) * YC( RO2C )\n RXRAT( 346 ) = RKI( 346 ) * YC( xMGLY ) * YC( RO2XC )\n RXRAT( 347 ) = RKI( 347 ) * YC( xMGLY ) * YC( MECO3 )\n RXRAT( 348 ) = RKI( 348 ) * YC( xMGLY ) * YC( RCO3 )\n RXRAT( 349 ) = RKI( 349 ) * YC( xMGLY ) * YC( BZCO3 )\n RXRAT( 350 ) = RKI( 350 ) * YC( xMGLY ) * YC( MACO3 )\n RXRAT( 351 ) = RKI( 351 ) * YC( xBACL ) * YC( NO )\n RXRAT( 352 ) = RKI( 352 ) * YC( xBACL ) * YC( HO2 )\n RXRAT( 353 ) = RKI( 353 ) * YC( xBACL ) * YC( NO3 )\n RXRAT( 354 ) = RKI( 354 ) * YC( xBACL ) * YC( MEO2 )\n RXRAT( 355 ) = RKI( 355 ) * YC( xBACL ) * YC( RO2C )\n RXRAT( 356 ) = RKI( 356 ) * YC( xBACL ) * YC( RO2XC )\n RXRAT( 357 ) = RKI( 357 ) * YC( xBACL ) * YC( MECO3 )\n RXRAT( 358 ) = RKI( 358 ) * YC( xBACL ) * YC( RCO3 )\n RXRAT( 359 ) = RKI( 359 ) * YC( xBACL ) * YC( BZCO3 )\n RXRAT( 360 ) = RKI( 360 ) * YC( xBACL ) * YC( MACO3 )\n RXRAT( 361 ) = RKI( 361 ) * YC( xBALD ) * YC( NO )\n RXRAT( 362 ) = RKI( 362 ) * YC( xBALD ) * YC( HO2 )\n RXRAT( 363 ) = RKI( 363 ) * YC( xBALD ) * YC( NO3 )\n RXRAT( 364 ) = RKI( 364 ) * YC( xBALD ) * YC( MEO2 )\n RXRAT( 365 ) = RKI( 365 ) * YC( xBALD ) * YC( RO2C )\n RXRAT( 366 ) = RKI( 366 ) * YC( xBALD ) * YC( RO2XC )\n RXRAT( 367 ) = RKI( 367 ) * YC( xBALD ) * YC( MECO3 )\n RXRAT( 368 ) = RKI( 368 ) * YC( xBALD ) * YC( RCO3 )\n RXRAT( 369 ) = RKI( 369 ) * YC( xBALD ) * YC( BZCO3 )\n RXRAT( 370 ) = RKI( 370 ) * YC( xBALD ) * YC( MACO3 )\n RXRAT( 371 ) = RKI( 371 ) * YC( xAFG1 ) * YC( NO )\n RXRAT( 372 ) = RKI( 372 ) * YC( xAFG1 ) * YC( HO2 )\n RXRAT( 373 ) = RKI( 373 ) * YC( xAFG1 ) * YC( NO3 )\n RXRAT( 374 ) = RKI( 374 ) * YC( xAFG1 ) * YC( MEO2 )\n RXRAT( 375 ) = RKI( 375 ) * YC( xAFG1 ) * YC( RO2C )\n RXRAT( 376 ) = RKI( 376 ) * YC( xAFG1 ) * YC( RO2XC )\n RXRAT( 377 ) = RKI( 377 ) * YC( xAFG1 ) * YC( MECO3 )\n RXRAT( 378 ) = RKI( 378 ) * YC( xAFG1 ) * YC( RCO3 )\n RXRAT( 379 ) = RKI( 379 ) * YC( xAFG1 ) * YC( BZCO3 )\n RXRAT( 380 ) = RKI( 380 ) * YC( xAFG1 ) * YC( MACO3 )\n RXRAT( 381 ) = RKI( 381 ) * YC( xAFG2 ) * YC( NO )\n RXRAT( 382 ) = RKI( 382 ) * YC( xAFG2 ) * YC( HO2 )\n RXRAT( 383 ) = RKI( 383 ) * YC( xAFG2 ) * YC( NO3 )\n RXRAT( 384 ) = RKI( 384 ) * YC( xAFG2 ) * YC( MEO2 )\n RXRAT( 385 ) = RKI( 385 ) * YC( xAFG2 ) * YC( RO2C )\n RXRAT( 386 ) = RKI( 386 ) * YC( xAFG2 ) * YC( RO2XC )\n RXRAT( 387 ) = RKI( 387 ) * YC( xAFG2 ) * YC( MECO3 )\n RXRAT( 388 ) = RKI( 388 ) * YC( xAFG2 ) * YC( RCO3 )\n RXRAT( 389 ) = RKI( 389 ) * YC( xAFG2 ) * YC( BZCO3 )\n RXRAT( 390 ) = RKI( 390 ) * YC( xAFG2 ) * YC( MACO3 )\n RXRAT( 391 ) = RKI( 391 ) * YC( xAFG3 ) * YC( NO )\n RXRAT( 392 ) = RKI( 392 ) * YC( xAFG3 ) * YC( HO2 )\n RXRAT( 393 ) = RKI( 393 ) * YC( xAFG3 ) * YC( NO3 )\n RXRAT( 394 ) = RKI( 394 ) * YC( xAFG3 ) * YC( MEO2 )\n RXRAT( 395 ) = RKI( 395 ) * YC( xAFG3 ) * YC( RO2C )\n RXRAT( 396 ) = RKI( 396 ) * YC( xAFG3 ) * YC( RO2XC )\n RXRAT( 397 ) = RKI( 397 ) * YC( xAFG3 ) * YC( MECO3 )\n RXRAT( 398 ) = RKI( 398 ) * YC( xAFG3 ) * YC( RCO3 )\n RXRAT( 399 ) = RKI( 399 ) * YC( xAFG3 ) * YC( BZCO3 )\n RXRAT( 400 ) = RKI( 400 ) * YC( xAFG3 ) * YC( MACO3 )\n RXRAT( 401 ) = RKI( 401 ) * YC( xMACR ) * YC( NO )\n RXRAT( 402 ) = RKI( 402 ) * YC( xMACR ) * YC( HO2 )\n RXRAT( 403 ) = RKI( 403 ) * YC( xMACR ) * YC( NO3 )\n RXRAT( 404 ) = RKI( 404 ) * YC( xMACR ) * YC( MEO2 )\n RXRAT( 405 ) = RKI( 405 ) * YC( xMACR ) * YC( RO2C )\n RXRAT( 406 ) = RKI( 406 ) * YC( xMACR ) * YC( RO2XC )\n RXRAT( 407 ) = RKI( 407 ) * YC( xMACR ) * YC( MECO3 )\n RXRAT( 408 ) = RKI( 408 ) * YC( xMACR ) * YC( RCO3 )\n RXRAT( 409 ) = RKI( 409 ) * YC( xMACR ) * YC( BZCO3 )\n RXRAT( 410 ) = RKI( 410 ) * YC( xMACR ) * YC( MACO3 )\n RXRAT( 411 ) = RKI( 411 ) * YC( xMVK ) * YC( NO )\n RXRAT( 412 ) = RKI( 412 ) * YC( xMVK ) * YC( HO2 )\n RXRAT( 413 ) = RKI( 413 ) * YC( xMVK ) * YC( NO3 )\n RXRAT( 414 ) = RKI( 414 ) * YC( xMVK ) * YC( MEO2 )\n RXRAT( 415 ) = RKI( 415 ) * YC( xMVK ) * YC( RO2C )\n RXRAT( 416 ) = RKI( 416 ) * YC( xMVK ) * YC( RO2XC )\n RXRAT( 417 ) = RKI( 417 ) * YC( xMVK ) * YC( MECO3 )\n RXRAT( 418 ) = RKI( 418 ) * YC( xMVK ) * YC( RCO3 )\n RXRAT( 419 ) = RKI( 419 ) * YC( xMVK ) * YC( BZCO3 )\n RXRAT( 420 ) = RKI( 420 ) * YC( xMVK ) * YC( MACO3 )\n RXRAT( 421 ) = RKI( 421 ) * YC( xIPRD ) * YC( NO )\n RXRAT( 422 ) = RKI( 422 ) * YC( xIPRD ) * YC( HO2 )\n RXRAT( 423 ) = RKI( 423 ) * YC( xIPRD ) * YC( NO3 )\n RXRAT( 424 ) = RKI( 424 ) * YC( xIPRD ) * YC( MEO2 )\n RXRAT( 425 ) = RKI( 425 ) * YC( xIPRD ) * YC( RO2C )\n RXRAT( 426 ) = RKI( 426 ) * YC( xIPRD ) * YC( RO2XC )\n RXRAT( 427 ) = RKI( 427 ) * YC( xIPRD ) * YC( MECO3 )\n RXRAT( 428 ) = RKI( 428 ) * YC( xIPRD ) * YC( RCO3 )\n RXRAT( 429 ) = RKI( 429 ) * YC( xIPRD ) * YC( BZCO3 )\n RXRAT( 430 ) = RKI( 430 ) * YC( xIPRD ) * YC( MACO3 )\n RXRAT( 431 ) = RKI( 431 ) * YC( xRNO3 ) * YC( NO )\n RXRAT( 432 ) = RKI( 432 ) * YC( xRNO3 ) * YC( HO2 )\n RXRAT( 433 ) = RKI( 433 ) * YC( xRNO3 ) * YC( NO3 )\n RXRAT( 434 ) = RKI( 434 ) * YC( xRNO3 ) * YC( MEO2 )\n RXRAT( 435 ) = RKI( 435 ) * YC( xRNO3 ) * YC( RO2C )\n RXRAT( 436 ) = RKI( 436 ) * YC( xRNO3 ) * YC( RO2XC )\n RXRAT( 437 ) = RKI( 437 ) * YC( xRNO3 ) * YC( MECO3 )\n RXRAT( 438 ) = RKI( 438 ) * YC( xRNO3 ) * YC( RCO3 )\n RXRAT( 439 ) = RKI( 439 ) * YC( xRNO3 ) * YC( BZCO3 )\n RXRAT( 440 ) = RKI( 440 ) * YC( xRNO3 ) * YC( MACO3 )\n RXRAT( 441 ) = RKI( 441 ) * YC( xMTNO3 ) * YC( NO )\n RXRAT( 442 ) = RKI( 442 ) * YC( xMTNO3 ) * YC( HO2 )\n RXRAT( 443 ) = RKI( 443 ) * YC( xMTNO3 ) * YC( NO3 )\n RXRAT( 444 ) = RKI( 444 ) * YC( xMTNO3 ) * YC( MEO2 )\n RXRAT( 445 ) = RKI( 445 ) * YC( xMTNO3 ) * YC( RO2C )\n RXRAT( 446 ) = RKI( 446 ) * YC( xMTNO3 ) * YC( RO2XC )\n RXRAT( 447 ) = RKI( 447 ) * YC( xMTNO3 ) * YC( MECO3 )\n RXRAT( 448 ) = RKI( 448 ) * YC( xMTNO3 ) * YC( RCO3 )\n RXRAT( 449 ) = RKI( 449 ) * YC( xMTNO3 ) * YC( BZCO3 )\n RXRAT( 450 ) = RKI( 450 ) * YC( xMTNO3 ) * YC( MACO3 )\n RXRAT( 451 ) = RKI( 451 ) * YC( xMTNO3 ) * YC( IMACO3 )\n RXRAT( 452 ) = RKI( 452 ) * YC( yROOH ) * YC( NO )\n RXRAT( 453 ) = RKI( 453 ) * YC( yROOH ) * YC( HO2 )\n RXRAT( 454 ) = RKI( 454 ) * YC( yROOH ) * YC( NO3 )\n RXRAT( 455 ) = RKI( 455 ) * YC( yROOH ) * YC( MEO2 )\n RXRAT( 456 ) = RKI( 456 ) * YC( yROOH ) * YC( RO2C )\n RXRAT( 457 ) = RKI( 457 ) * YC( yROOH ) * YC( RO2XC )\n RXRAT( 458 ) = RKI( 458 ) * YC( yROOH ) * YC( MECO3 )\n RXRAT( 459 ) = RKI( 459 ) * YC( yROOH ) * YC( RCO3 )\n RXRAT( 460 ) = RKI( 460 ) * YC( yROOH ) * YC( BZCO3 )\n RXRAT( 461 ) = RKI( 461 ) * YC( yROOH ) * YC( MACO3 )\n RXRAT( 462 ) = RKI( 462 ) * YC( yR6OOH ) * YC( NO )\n RXRAT( 463 ) = RKI( 463 ) * YC( yR6OOH ) * YC( HO2 )\n RXRAT( 464 ) = RKI( 464 ) * YC( yR6OOH ) * YC( NO3 )\n RXRAT( 465 ) = RKI( 465 ) * YC( yR6OOH ) * YC( MEO2 )\n RXRAT( 466 ) = RKI( 466 ) * YC( yR6OOH ) * YC( RO2C )\n RXRAT( 467 ) = RKI( 467 ) * YC( yR6OOH ) * YC( RO2XC )\n RXRAT( 468 ) = RKI( 468 ) * YC( yR6OOH ) * YC( MECO3 )\n RXRAT( 469 ) = RKI( 469 ) * YC( yR6OOH ) * YC( RCO3 )\n RXRAT( 470 ) = RKI( 470 ) * YC( yR6OOH ) * YC( BZCO3 )\n RXRAT( 471 ) = RKI( 471 ) * YC( yR6OOH ) * YC( MACO3 )\n RXRAT( 472 ) = RKI( 472 ) * YC( yRAOOH ) * YC( NO )\n RXRAT( 473 ) = RKI( 473 ) * YC( yRAOOH ) * YC( HO2 )\n RXRAT( 474 ) = RKI( 474 ) * YC( yRAOOH ) * YC( NO3 )\n RXRAT( 475 ) = RKI( 475 ) * YC( yRAOOH ) * YC( MEO2 )\n RXRAT( 476 ) = RKI( 476 ) * YC( yRAOOH ) * YC( RO2C )\n RXRAT( 477 ) = RKI( 477 ) * YC( yRAOOH ) * YC( RO2XC )\n RXRAT( 478 ) = RKI( 478 ) * YC( yRAOOH ) * YC( MECO3 )\n RXRAT( 479 ) = RKI( 479 ) * YC( yRAOOH ) * YC( RCO3 )\n RXRAT( 480 ) = RKI( 480 ) * YC( yRAOOH ) * YC( BZCO3 )\n RXRAT( 481 ) = RKI( 481 ) * YC( yRAOOH ) * YC( MACO3 )\n RXRAT( 482 ) = RKI( 482 ) * YC( zRNO3 ) * YC( NO )\n RXRAT( 483 ) = RKI( 483 ) * YC( zRNO3 ) * YC( HO2 )\n RXRAT( 484 ) = RKI( 484 ) * YC( zRNO3 ) * YC( NO3 )\n RXRAT( 485 ) = RKI( 485 ) * YC( zRNO3 ) * YC( MEO2 )\n RXRAT( 486 ) = RKI( 486 ) * YC( zRNO3 ) * YC( RO2C )\n RXRAT( 487 ) = RKI( 487 ) * YC( zRNO3 ) * YC( RO2XC )\n RXRAT( 488 ) = RKI( 488 ) * YC( zRNO3 ) * YC( MECO3 )\n RXRAT( 489 ) = RKI( 489 ) * YC( zRNO3 ) * YC( RCO3 )\n RXRAT( 490 ) = RKI( 490 ) * YC( zRNO3 ) * YC( BZCO3 )\n RXRAT( 491 ) = RKI( 491 ) * YC( zRNO3 ) * YC( MACO3 )\n RXRAT( 492 ) = RKI( 492 ) * YC( zMTNO3 ) * YC( NO )\n RXRAT( 493 ) = RKI( 493 ) * YC( zMTNO3 ) * YC( HO2 )\n RXRAT( 494 ) = RKI( 494 ) * YC( zMTNO3 ) * YC( NO3 )\n RXRAT( 495 ) = RKI( 495 ) * YC( zMTNO3 ) * YC( MEO2 )\n RXRAT( 496 ) = RKI( 496 ) * YC( zMTNO3 ) * YC( RO2C )\n RXRAT( 497 ) = RKI( 497 ) * YC( zMTNO3 ) * YC( RO2XC )\n RXRAT( 498 ) = RKI( 498 ) * YC( zMTNO3 ) * YC( MECO3 )\n RXRAT( 499 ) = RKI( 499 ) * YC( zMTNO3 ) * YC( RCO3 )\n RXRAT( 500 ) = RKI( 500 ) * YC( zMTNO3 ) * YC( BZCO3 )\n RXRAT( 501 ) = RKI( 501 ) * YC( zMTNO3 ) * YC( MACO3 )\n RXRAT( 502 ) = RKI( 502 ) * YC( zMTNO3 ) * YC( IMACO3 )\n RXRAT( 503 ) = RKI( 503 ) * YC( xHOCCHO ) * YC( NO )\n RXRAT( 504 ) = RKI( 504 ) * YC( xHOCCHO ) * YC( HO2 )\n RXRAT( 505 ) = RKI( 505 ) * YC( xHOCCHO ) * YC( NO3 )\n RXRAT( 506 ) = RKI( 506 ) * YC( xHOCCHO ) * YC( MEO2 )\n RXRAT( 507 ) = RKI( 507 ) * YC( xHOCCHO ) * YC( RO2C )\n RXRAT( 508 ) = RKI( 508 ) * YC( xHOCCHO ) * YC( RO2XC )\n RXRAT( 509 ) = RKI( 509 ) * YC( xHOCCHO ) * YC( MECO3 )\n RXRAT( 510 ) = RKI( 510 ) * YC( xHOCCHO ) * YC( RCO3 )\n RXRAT( 511 ) = RKI( 511 ) * YC( xHOCCHO ) * YC( BZCO3 )\n RXRAT( 512 ) = RKI( 512 ) * YC( xHOCCHO ) * YC( MACO3 )\n RXRAT( 513 ) = RKI( 513 ) * YC( xACROLEIN ) * YC( NO )\n RXRAT( 514 ) = RKI( 514 ) * YC( xACROLEIN ) * YC( HO2 )\n RXRAT( 515 ) = RKI( 515 ) * YC( xACROLEIN ) * YC( NO3 )\n RXRAT( 516 ) = RKI( 516 ) * YC( xACROLEIN ) * YC( MEO2 )\n RXRAT( 517 ) = RKI( 517 ) * YC( xACROLEIN ) * YC( RO2C )\n RXRAT( 518 ) = RKI( 518 ) * YC( xACROLEIN ) * YC( RO2XC )\n RXRAT( 519 ) = RKI( 519 ) * YC( xACROLEIN ) * YC( MECO3 )\n RXRAT( 520 ) = RKI( 520 ) * YC( xACROLEIN ) * YC( RCO3 )\n RXRAT( 521 ) = RKI( 521 ) * YC( xACROLEIN ) * YC( BZCO3 )\n RXRAT( 522 ) = RKI( 522 ) * YC( xACROLEIN ) * YC( MACO3 )\n RXRAT( 523 ) = RKI( 523 ) * YC( OH )\n RXRAT( 524 ) = RKI( 524 ) * YC( ETHENE ) * YC( OH )\n RXRAT( 525 ) = RKI( 525 ) * YC( ETHENE ) * YC( O3 )\n RXRAT( 526 ) = RKI( 526 ) * YC( ETHENE ) * YC( NO3 )\n RXRAT( 527 ) = RKI( 527 ) * YC( ETHENE ) * YC( O3P )\n RXRAT( 528 ) = RKI( 528 ) * YC( PROPENE ) * YC( OH )\n RXRAT( 529 ) = RKI( 529 ) * YC( PROPENE ) * YC( O3 )\n RXRAT( 530 ) = RKI( 530 ) * YC( PROPENE ) * YC( NO3 )\n RXRAT( 531 ) = RKI( 531 ) * YC( PROPENE ) * YC( O3P )\n RXRAT( 532 ) = RKI( 532 ) * YC( BUTADIENE13 ) * YC( OH )\n RXRAT( 533 ) = RKI( 533 ) * YC( BUTADIENE13 ) * YC( O3 )\n RXRAT( 534 ) = RKI( 534 ) * YC( BUTADIENE13 ) * YC( NO3 )\n RXRAT( 535 ) = RKI( 535 ) * YC( BUTADIENE13 ) * YC( O3P )\n RXRAT( 536 ) = RKI( 536 ) * YC( ISOPRENE ) * YC( O3 )\n RXRAT( 537 ) = RKI( 537 ) * YC( ISOPRENE ) * YC( O3P )\n RXRAT( 538 ) = RKI( 538 ) * YC( APIN ) * YC( OH )\n RXRAT( 539 ) = RKI( 539 ) * YC( APIN ) * YC( O3 )\n RXRAT( 540 ) = RKI( 540 ) * YC( APIN ) * YC( NO3 )\n RXRAT( 541 ) = RKI( 541 ) * YC( APIN ) * YC( O3P )\n RXRAT( 542 ) = RKI( 542 ) * YC( ACETYLENE ) * YC( OH )\n RXRAT( 543 ) = RKI( 543 ) * YC( ACETYLENE ) * YC( O3 )\n RXRAT( 544 ) = RKI( 544 ) * YC( BENZENE ) * YC( OH )\n RXRAT( 545 ) = RKI( 545 ) * YC( TOLUENE ) * YC( OH )\n RXRAT( 546 ) = RKI( 546 ) * YC( MXYL ) * YC( OH )\n RXRAT( 547 ) = RKI( 547 ) * YC( OXYL ) * YC( OH )\n RXRAT( 548 ) = RKI( 548 ) * YC( PXYL ) * YC( OH )\n RXRAT( 549 ) = RKI( 549 ) * YC( TMBENZ124 ) * YC( OH )\n RXRAT( 550 ) = RKI( 550 ) * YC( ETOH ) * YC( OH )\n RXRAT( 551 ) = RKI( 551 ) * YC( ALK1 ) * YC( OH )\n RXRAT( 552 ) = RKI( 552 ) * YC( ALK2 ) * YC( OH )\n RXRAT( 553 ) = RKI( 553 ) * YC( ALK3 ) * YC( OH )\n RXRAT( 554 ) = RKI( 554 ) * YC( ALK4 ) * YC( OH )\n RXRAT( 555 ) = RKI( 555 ) * YC( ALK5 ) * YC( OH )\n RXRAT( 556 ) = RKI( 556 ) * YC( SOAALK ) * YC( OH )\n RXRAT( 557 ) = RKI( 557 ) * YC( OLE1 ) * YC( OH )\n RXRAT( 558 ) = RKI( 558 ) * YC( OLE1 ) * YC( O3 )\n RXRAT( 559 ) = RKI( 559 ) * YC( OLE1 ) * YC( NO3 )\n RXRAT( 560 ) = RKI( 560 ) * YC( OLE1 ) * YC( O3P )\n RXRAT( 561 ) = RKI( 561 ) * YC( OLE2 ) * YC( OH )\n RXRAT( 562 ) = RKI( 562 ) * YC( OLE2 ) * YC( O3 )\n RXRAT( 563 ) = RKI( 563 ) * YC( OLE2 ) * YC( NO3 )\n RXRAT( 564 ) = RKI( 564 ) * YC( OLE2 ) * YC( O3P )\n RXRAT( 565 ) = RKI( 565 ) * YC( ARO1 ) * YC( OH )\n RXRAT( 566 ) = RKI( 566 ) * YC( ARO2MN ) * YC( OH )\n RXRAT( 567 ) = RKI( 567 ) * YC( NAPHTHAL ) * YC( OH )\n RXRAT( 568 ) = RKI( 568 ) * YC( TERP ) * YC( OH )\n RXRAT( 569 ) = RKI( 569 ) * YC( TERP ) * YC( O3 )\n RXRAT( 570 ) = RKI( 570 ) * YC( TERP ) * YC( NO3 )\n RXRAT( 571 ) = RKI( 571 ) * YC( TERPNRO2 ) * YC( NO )\n RXRAT( 572 ) = RKI( 572 ) * YC( TERPNRO2 ) * YC( HO2 )\n RXRAT( 573 ) = RKI( 573 ) * YC( TERPNRO2 ) * YC( NO3 )\n RXRAT( 574 ) = RKI( 574 ) * YC( TERPNRO2 ) * YC( MEO2 )\n RXRAT( 575 ) = RKI( 575 ) * YC( TERPNRO2 ) * YC( RO2C )\n RXRAT( 576 ) = RKI( 576 ) * YC( TERPNRO2 ) * YC( RO2XC )\n RXRAT( 577 ) = RKI( 577 ) * YC( TERPNRO2 ) * YC( MECO3 )\n RXRAT( 578 ) = RKI( 578 ) * YC( TERPNRO2 ) * YC( RCO3 )\n RXRAT( 579 ) = RKI( 579 ) * YC( TERPNRO2 ) * YC( BZCO3 )\n RXRAT( 580 ) = RKI( 580 ) * YC( TERPNRO2 ) * YC( MACO3 )\n RXRAT( 581 ) = RKI( 581 ) * YC( TERPNRO2 ) * YC( IMACO3 )\n RXRAT( 582 ) = RKI( 582 ) * YC( TERP ) * YC( O3P )\n RXRAT( 583 ) = RKI( 583 ) * YC( SESQ ) * YC( OH )\n RXRAT( 584 ) = RKI( 584 ) * YC( SESQ ) * YC( O3 )\n RXRAT( 585 ) = RKI( 585 ) * YC( SESQ ) * YC( NO3 )\n RXRAT( 586 ) = RKI( 586 ) * YC( SESQ ) * YC( O3P )\n RXRAT( 587 ) = RKI( 587 ) * YC( CL2 )\n RXRAT( 588 ) = RKI( 588 ) * YC( CL ) * YC( NO )\n RXRAT( 589 ) = RKI( 589 ) * YC( CLNO )\n RXRAT( 590 ) = RKI( 590 ) * YC( CL ) * YC( NO2 )\n RXRAT( 591 ) = RKI( 591 ) * YC( CL ) * YC( NO2 )\n RXRAT( 592 ) = RKI( 592 ) * YC( CLONO )\n RXRAT( 593 ) = RKI( 593 ) * YC( CLNO2 )\n RXRAT( 594 ) = RKI( 594 ) * YC( CL ) * YC( HO2 )\n RXRAT( 595 ) = RKI( 595 ) * YC( CL ) * YC( HO2 )\n RXRAT( 596 ) = RKI( 596 ) * YC( CL ) * YC( O3 )\n RXRAT( 597 ) = RKI( 597 ) * YC( CL ) * YC( NO3 )\n RXRAT( 598 ) = RKI( 598 ) * YC( CLO ) * YC( NO )\n RXRAT( 599 ) = RKI( 599 ) * YC( CLO ) * YC( NO2 )\n RXRAT( 600 ) = RKI( 600 ) * YC( CLONO2 )\n RXRAT( 601 ) = RKI( 601 ) * YC( CLONO2 )\n RXRAT( 602 ) = RKI( 602 ) * YC( CLONO2 )\n RXRAT( 603 ) = RKI( 603 ) * YC( CL ) * YC( CLONO2 )\n RXRAT( 604 ) = RKI( 604 ) * YC( CLO ) * YC( HO2 )\n RXRAT( 605 ) = RKI( 605 ) * YC( HOCL )\n RXRAT( 606 ) = RKI( 606 ) * YC( CLO ) * YC( CLO )\n RXRAT( 607 ) = RKI( 607 ) * YC( OH ) * YC( HCL )\n RXRAT( 608 ) = RKI( 608 ) * YC( CL )\n RXRAT( 609 ) = RKI( 609 ) * YC( HCHO ) * YC( CL )\n RXRAT( 610 ) = RKI( 610 ) * YC( CCHO ) * YC( CL )\n RXRAT( 611 ) = RKI( 611 ) * YC( MEOH ) * YC( CL )\n RXRAT( 612 ) = RKI( 612 ) * YC( RCHO ) * YC( CL )\n RXRAT( 613 ) = RKI( 613 ) * YC( ACETONE ) * YC( CL )\n RXRAT( 614 ) = RKI( 614 ) * YC( MEK ) * YC( CL )\n RXRAT( 615 ) = RKI( 615 ) * YC( RNO3 ) * YC( CL )\n RXRAT( 616 ) = RKI( 616 ) * YC( PRD2 ) * YC( CL )\n RXRAT( 617 ) = RKI( 617 ) * YC( GLY ) * YC( CL )\n RXRAT( 618 ) = RKI( 618 ) * YC( MGLY ) * YC( CL )\n RXRAT( 619 ) = RKI( 619 ) * YC( CRES ) * YC( CL )\n RXRAT( 620 ) = RKI( 620 ) * YC( BALD ) * YC( CL )\n RXRAT( 621 ) = RKI( 621 ) * YC( ROOH ) * YC( CL )\n RXRAT( 622 ) = RKI( 622 ) * YC( R6OOH ) * YC( CL )\n RXRAT( 623 ) = RKI( 623 ) * YC( RAOOH ) * YC( CL )\n RXRAT( 624 ) = RKI( 624 ) * YC( ACROLEIN ) * YC( CL )\n RXRAT( 625 ) = RKI( 625 ) * YC( MVK ) * YC( CL )\n RXRAT( 626 ) = RKI( 626 ) * YC( IPRD ) * YC( CL )\n RXRAT( 627 ) = RKI( 627 ) * YC( CLCCHO )\n RXRAT( 628 ) = RKI( 628 ) * YC( CLCCHO ) * YC( OH )\n RXRAT( 629 ) = RKI( 629 ) * YC( CLCCHO ) * YC( CL )\n RXRAT( 630 ) = RKI( 630 ) * YC( CLACET )\n RXRAT( 631 ) = RKI( 631 ) * YC( xCL ) * YC( NO )\n RXRAT( 632 ) = RKI( 632 ) * YC( xCL ) * YC( HO2 )\n RXRAT( 633 ) = RKI( 633 ) * YC( xCL ) * YC( NO3 )\n RXRAT( 634 ) = RKI( 634 ) * YC( xCL ) * YC( MEO2 )\n RXRAT( 635 ) = RKI( 635 ) * YC( xCL ) * YC( RO2C )\n RXRAT( 636 ) = RKI( 636 ) * YC( xCL ) * YC( RO2XC )\n RXRAT( 637 ) = RKI( 637 ) * YC( xCL ) * YC( MECO3 )\n RXRAT( 638 ) = RKI( 638 ) * YC( xCL ) * YC( RCO3 )\n RXRAT( 639 ) = RKI( 639 ) * YC( xCL ) * YC( BZCO3 )\n RXRAT( 640 ) = RKI( 640 ) * YC( xCL ) * YC( MACO3 )\n RXRAT( 641 ) = RKI( 641 ) * YC( xCLCCHO ) * YC( NO )\n RXRAT( 642 ) = RKI( 642 ) * YC( xCLCCHO ) * YC( HO2 )\n RXRAT( 643 ) = RKI( 643 ) * YC( xCLCCHO ) * YC( NO3 )\n RXRAT( 644 ) = RKI( 644 ) * YC( xCLCCHO ) * YC( MEO2 )\n RXRAT( 645 ) = RKI( 645 ) * YC( xCLCCHO ) * YC( RO2C )\n RXRAT( 646 ) = RKI( 646 ) * YC( xCLCCHO ) * YC( RO2XC )\n RXRAT( 647 ) = RKI( 647 ) * YC( xCLCCHO ) * YC( MECO3 )\n RXRAT( 648 ) = RKI( 648 ) * YC( xCLCCHO ) * YC( RCO3 )\n RXRAT( 649 ) = RKI( 649 ) * YC( xCLCCHO ) * YC( BZCO3 )\n RXRAT( 650 ) = RKI( 650 ) * YC( xCLCCHO ) * YC( MACO3 )\n RXRAT( 651 ) = RKI( 651 ) * YC( xCLACET ) * YC( NO )\n RXRAT( 652 ) = RKI( 652 ) * YC( xCLACET ) * YC( HO2 )\n RXRAT( 653 ) = RKI( 653 ) * YC( xCLACET ) * YC( NO3 )\n RXRAT( 654 ) = RKI( 654 ) * YC( xCLACET ) * YC( MEO2 )\n RXRAT( 655 ) = RKI( 655 ) * YC( xCLACET ) * YC( RO2C )\n RXRAT( 656 ) = RKI( 656 ) * YC( xCLACET ) * YC( RO2XC )\n RXRAT( 657 ) = RKI( 657 ) * YC( xCLACET ) * YC( MECO3 )\n RXRAT( 658 ) = RKI( 658 ) * YC( xCLACET ) * YC( RCO3 )\n RXRAT( 659 ) = RKI( 659 ) * YC( xCLACET ) * YC( BZCO3 )\n RXRAT( 660 ) = RKI( 660 ) * YC( xCLACET ) * YC( MACO3 )\n RXRAT( 661 ) = RKI( 661 ) * YC( CL )\n RXRAT( 662 ) = RKI( 662 ) * YC( ETHENE ) * YC( CL )\n RXRAT( 663 ) = RKI( 663 ) * YC( PROPENE ) * YC( CL )\n RXRAT( 664 ) = RKI( 664 ) * YC( BUTADIENE13 ) * YC( CL )\n RXRAT( 665 ) = RKI( 665 ) * YC( ISOPRENE ) * YC( CL )\n RXRAT( 666 ) = RKI( 666 ) * YC( APIN ) * YC( CL )\n RXRAT( 667 ) = RKI( 667 ) * YC( ACETYLENE ) * YC( CL )\n RXRAT( 668 ) = RKI( 668 ) * YC( TOLUENE ) * YC( CL )\n RXRAT( 669 ) = RKI( 669 ) * YC( MXYL ) * YC( CL )\n RXRAT( 670 ) = RKI( 670 ) * YC( OXYL ) * YC( CL )\n RXRAT( 671 ) = RKI( 671 ) * YC( PXYL ) * YC( CL )\n RXRAT( 672 ) = RKI( 672 ) * YC( TMBENZ124 ) * YC( CL )\n RXRAT( 673 ) = RKI( 673 ) * YC( ETOH ) * YC( CL )\n RXRAT( 674 ) = RKI( 674 ) * YC( ALK1 ) * YC( CL )\n RXRAT( 675 ) = RKI( 675 ) * YC( ALK2 ) * YC( CL )\n RXRAT( 676 ) = RKI( 676 ) * YC( ALK3 ) * YC( CL )\n RXRAT( 677 ) = RKI( 677 ) * YC( ALK4 ) * YC( CL )\n RXRAT( 678 ) = RKI( 678 ) * YC( ALK5 ) * YC( CL )\n RXRAT( 679 ) = RKI( 679 ) * YC( OLE1 ) * YC( CL )\n RXRAT( 680 ) = RKI( 680 ) * YC( OLE2 ) * YC( CL )\n RXRAT( 681 ) = RKI( 681 ) * YC( ARO1 ) * YC( CL )\n RXRAT( 682 ) = RKI( 682 ) * YC( ARO2MN ) * YC( CL )\n RXRAT( 683 ) = RKI( 683 ) * YC( NAPHTHAL ) * YC( CL )\n RXRAT( 684 ) = RKI( 684 ) * YC( TERP ) * YC( CL )\n RXRAT( 685 ) = RKI( 685 ) * YC( SESQ ) * YC( CL )\n RXRAT( 686 ) = RKI( 686 ) * YC( BENZRO2 ) * YC( NO )\n RXRAT( 687 ) = RKI( 687 ) * YC( BENZRO2 ) * YC( HO2 )\n RXRAT( 688 ) = RKI( 688 ) * YC( XYLRO2 ) * YC( NO )\n RXRAT( 689 ) = RKI( 689 ) * YC( XYLRO2 ) * YC( HO2 )\n RXRAT( 690 ) = RKI( 690 ) * YC( TOLRO2 ) * YC( NO )\n RXRAT( 691 ) = RKI( 691 ) * YC( TOLRO2 ) * YC( HO2 )\n RXRAT( 692 ) = RKI( 692 ) * YC( PAHRO2 ) * YC( NO )\n RXRAT( 693 ) = RKI( 693 ) * YC( PAHRO2 ) * YC( HO2 )\n RXRAT( 694 ) = RKI( 694 ) * YC( HCHO_PRIMARY )\n RXRAT( 695 ) = RKI( 695 ) * YC( HCHO_PRIMARY )\n RXRAT( 696 ) = RKI( 696 ) * YC( HCHO_PRIMARY ) * YC( OH )\n RXRAT( 697 ) = RKI( 697 ) * YC( HCHO_PRIMARY ) * YC( NO3 )\n RXRAT( 698 ) = RKI( 698 ) * YC( HCHO_PRIMARY ) * YC( CL )\n RXRAT( 699 ) = RKI( 699 ) * YC( CCHO_PRIMARY ) * YC( OH )\n RXRAT( 700 ) = RKI( 700 ) * YC( CCHO_PRIMARY )\n RXRAT( 701 ) = RKI( 701 ) * YC( CCHO_PRIMARY ) * YC( NO3 )\n RXRAT( 702 ) = RKI( 702 ) * YC( CCHO_PRIMARY ) * YC( CL )\n RXRAT( 703 ) = RKI( 703 ) * YC( ACRO_PRIMARY ) * YC( OH )\n RXRAT( 704 ) = RKI( 704 ) * YC( ACRO_PRIMARY ) * YC( O3 )\n RXRAT( 705 ) = RKI( 705 ) * YC( ACRO_PRIMARY ) * YC( NO3 )\n RXRAT( 706 ) = RKI( 706 ) * YC( ACRO_PRIMARY ) * YC( O3P )\n RXRAT( 707 ) = RKI( 707 ) * YC( ACRO_PRIMARY )\n RXRAT( 708 ) = RKI( 708 ) * YC( ACRO_PRIMARY ) * YC( CL )\n RXRAT( 709 ) = RKI( 709 ) * YC( ISOPRENE ) * YC( OH )\n RXRAT( 710 ) = RKI( 710 ) * YC( ISOPO2 ) * YC( NO )\n RXRAT( 711 ) = RKI( 711 ) * YC( ISOPO2 ) * YC( HO2 )\n RXRAT( 712 ) = RKI( 712 ) * YC( ISOPO2 ) * YC( MEO2 )\n RXRAT( 713 ) = RKI( 713 ) * YC( ISOPO2 ) * YC( RO2C )\n RXRAT( 714 ) = RKI( 714 ) * YC( ISOPO2 ) * YC( ISOPO2 )\n RXRAT( 715 ) = RKI( 715 ) * YC( ISOPO2 ) * YC( MECO3 )\n RXRAT( 716 ) = RKI( 716 ) * YC( ISOPO2 )\n RXRAT( 717 ) = RKI( 717 ) * YC( HPALD )\n RXRAT( 718 ) = RKI( 718 ) * YC( HPALD ) * YC( OH )\n RXRAT( 719 ) = RKI( 719 ) * YC( ISOPRENE ) * YC( NO3 )\n RXRAT( 720 ) = RKI( 720 ) * YC( NISOPO2 ) * YC( NO3 )\n RXRAT( 721 ) = RKI( 721 ) * YC( NISOPO2 ) * YC( NO )\n RXRAT( 722 ) = RKI( 722 ) * YC( NISOPO2 ) * YC( HO2 )\n RXRAT( 723 ) = RKI( 723 ) * YC( NISOPO2 ) * YC( MEO2 )\n RXRAT( 724 ) = RKI( 724 ) * YC( NISOPO2 ) * YC( RO2C )\n RXRAT( 725 ) = RKI( 725 ) * YC( NISOPO2 ) * YC( NISOPO2 )\n RXRAT( 726 ) = RKI( 726 ) * YC( NISOPO2 ) * YC( MECO3 )\n RXRAT( 727 ) = RKI( 727 ) * YC( HC5 ) * YC( OH )\n RXRAT( 728 ) = RKI( 728 ) * YC( HC5OO ) * YC( NO )\n RXRAT( 729 ) = RKI( 729 ) * YC( HC5OO ) * YC( HO2 )\n RXRAT( 730 ) = RKI( 730 ) * YC( HC5OO ) * YC( MEO2 )\n RXRAT( 731 ) = RKI( 731 ) * YC( HC5OO ) * YC( RO2C )\n RXRAT( 732 ) = RKI( 732 ) * YC( HC5OO ) * YC( MECO3 )\n RXRAT( 733 ) = RKI( 733 ) * YC( HC5 ) * YC( O3 )\n RXRAT( 734 ) = RKI( 734 ) * YC( ISOPND ) * YC( OH )\n RXRAT( 735 ) = RKI( 735 ) * YC( ISOPNOOD ) * YC( NO )\n RXRAT( 736 ) = RKI( 736 ) * YC( ISOPNOOD ) * YC( HO2 )\n RXRAT( 737 ) = RKI( 737 ) * YC( ISOPNOOD ) * YC( MEO2 )\n RXRAT( 738 ) = RKI( 738 ) * YC( ISOPNOOD ) * YC( RO2C )\n RXRAT( 739 ) = RKI( 739 ) * YC( ISOPNOOD ) * YC( MECO3 )\n RXRAT( 740 ) = RKI( 740 ) * YC( ISOPND ) * YC( O3 )\n RXRAT( 741 ) = RKI( 741 ) * YC( ISOPNB ) * YC( OH )\n RXRAT( 742 ) = RKI( 742 ) * YC( ISOPNOOB ) * YC( NO )\n RXRAT( 743 ) = RKI( 743 ) * YC( ISOPNOOB ) * YC( HO2 )\n RXRAT( 744 ) = RKI( 744 ) * YC( ISOPNOOB ) * YC( MEO2 )\n RXRAT( 745 ) = RKI( 745 ) * YC( ISOPNOOB ) * YC( RO2C )\n RXRAT( 746 ) = RKI( 746 ) * YC( ISOPNOOB ) * YC( MECO3 )\n RXRAT( 747 ) = RKI( 747 ) * YC( ISOPNB ) * YC( O3 )\n RXRAT( 748 ) = RKI( 748 ) * YC( NIT1 ) * YC( NO3 )\n RXRAT( 749 ) = RKI( 749 ) * YC( NIT1NO3OOA ) * YC( NO3 )\n RXRAT( 750 ) = RKI( 750 ) * YC( NIT1NO3OOA ) * YC( NO )\n RXRAT( 751 ) = RKI( 751 ) * YC( NIT1NO3OOA ) * YC( NO2 )\n RXRAT( 752 ) = RKI( 752 ) * YC( NIT1NO3OOA ) * YC( HO2 )\n RXRAT( 753 ) = RKI( 753 ) * YC( NIT1NO3OOA ) * YC( RO2C )\n RXRAT( 754 ) = RKI( 754 ) * YC( NIT1NO3OOA ) * YC( MEO2 )\n RXRAT( 755 ) = RKI( 755 ) * YC( NIT1NO3OOA ) * YC( MECO3 )\n RXRAT( 756 ) = RKI( 756 ) * YC( NIT1NO3OOB ) * YC( NO3 )\n RXRAT( 757 ) = RKI( 757 ) * YC( NIT1NO3OOB ) * YC( NO )\n RXRAT( 758 ) = RKI( 758 ) * YC( NIT1NO3OOB ) * YC( HO2 )\n RXRAT( 759 ) = RKI( 759 ) * YC( NIT1NO3OOB ) * YC( RO2C )\n RXRAT( 760 ) = RKI( 760 ) * YC( NIT1NO3OOB ) * YC( MEO2 )\n RXRAT( 761 ) = RKI( 761 ) * YC( NIT1NO3OOB ) * YC( MECO3 )\n RXRAT( 762 ) = RKI( 762 ) * YC( NIT1 ) * YC( O3 )\n RXRAT( 763 ) = RKI( 763 ) * YC( NIT1 ) * YC( OH )\n RXRAT( 764 ) = RKI( 764 ) * YC( NIT1OHOO ) * YC( NO )\n RXRAT( 765 ) = RKI( 765 ) * YC( NIT1OHOO ) * YC( HO2 )\n RXRAT( 766 ) = RKI( 766 ) * YC( NIT1OHOO ) * YC( RO2C )\n RXRAT( 767 ) = RKI( 767 ) * YC( NIT1OHOO ) * YC( MEO2 )\n RXRAT( 768 ) = RKI( 768 ) * YC( NIT1OHOO ) * YC( MECO3 )\n RXRAT( 769 ) = RKI( 769 ) * YC( DIBOO ) * YC( NO )\n RXRAT( 770 ) = RKI( 770 ) * YC( DIBOO ) * YC( HO2 )\n RXRAT( 771 ) = RKI( 771 ) * YC( DIBOO ) * YC( MEO2 )\n RXRAT( 772 ) = RKI( 772 ) * YC( DIBOO ) * YC( RO2C )\n RXRAT( 773 ) = RKI( 773 ) * YC( DIBOO ) * YC( MECO3 )\n RXRAT( 774 ) = RKI( 774 ) * YC( MVK ) * YC( OH )\n RXRAT( 775 ) = RKI( 775 ) * YC( MVKOO ) * YC( NO )\n RXRAT( 776 ) = RKI( 776 ) * YC( MVKOO ) * YC( HO2 )\n RXRAT( 777 ) = RKI( 777 ) * YC( MVKOO ) * YC( MEO2 )\n RXRAT( 778 ) = RKI( 778 ) * YC( MVKOO ) * YC( RO2C )\n RXRAT( 779 ) = RKI( 779 ) * YC( MVKOO ) * YC( MECO3 )\n RXRAT( 780 ) = RKI( 780 ) * YC( MACROO ) * YC( NO )\n RXRAT( 781 ) = RKI( 781 ) * YC( MACROO ) * YC( HO2 )\n RXRAT( 782 ) = RKI( 782 ) * YC( MACROO ) * YC( MEO2 )\n RXRAT( 783 ) = RKI( 783 ) * YC( MACROO ) * YC( RO2C )\n RXRAT( 784 ) = RKI( 784 ) * YC( MACROO ) * YC( MECO3 )\n RXRAT( 785 ) = RKI( 785 ) * YC( MACO3 ) * YC( NO )\n RXRAT( 786 ) = RKI( 786 ) * YC( MACO3 ) * YC( HO2 )\n RXRAT( 787 ) = RKI( 787 ) * YC( MACO3 ) * YC( NO3 )\n RXRAT( 788 ) = RKI( 788 ) * YC( MACO3 ) * YC( MEO2 )\n RXRAT( 789 ) = RKI( 789 ) * YC( MACO3 ) * YC( RO2C )\n RXRAT( 790 ) = RKI( 790 ) * YC( MACO3 ) * YC( RO2XC )\n RXRAT( 791 ) = RKI( 791 ) * YC( MACO3 ) * YC( MECO3 )\n RXRAT( 792 ) = RKI( 792 ) * YC( MACO3 ) * YC( RCO3 )\n RXRAT( 793 ) = RKI( 793 ) * YC( MACO3 ) * YC( BZCO3 )\n RXRAT( 794 ) = RKI( 794 ) * YC( MACO3 ) * YC( MACO3 )\n RXRAT( 795 ) = RKI( 795 ) * YC( MAPAN ) * YC( OH )\n RXRAT( 796 ) = RKI( 796 ) * YC( HOCCHO ) * YC( OH )\n RXRAT( 797 ) = RKI( 797 ) * YC( HACET ) * YC( OH )\n RXRAT( 798 ) = RKI( 798 ) * YC( HACET )\n RXRAT( 799 ) = RKI( 799 ) * YC( ETHLN ) * YC( OH )\n RXRAT( 800 ) = RKI( 800 ) * YC( ETHLN )\n RXRAT( 801 ) = RKI( 801 ) * YC( PROPNN ) * YC( OH )\n RXRAT( 802 ) = RKI( 802 ) * YC( ISOPNN ) * YC( OH )\n RXRAT( 803 ) = RKI( 803 ) * YC( PROPNN )\n RXRAT( 804 ) = RKI( 804 ) * YC( ISOPNN )\n RXRAT( 805 ) = RKI( 805 ) * YC( MVKN ) * YC( OH )\n RXRAT( 806 ) = RKI( 806 ) * YC( MVKN )\n RXRAT( 807 ) = RKI( 807 ) * YC( MACRN ) * YC( OH )\n RXRAT( 808 ) = RKI( 808 ) * YC( MACRN )\n RXRAT( 809 ) = RKI( 809 ) * YC( DHMOB ) * YC( OH )\n RXRAT( 810 ) = RKI( 810 ) * YC( PYRUACD )\n RXRAT( 811 ) = RKI( 811 ) * YC( ISOPOOH ) * YC( OH )\n RXRAT( 812 ) = RKI( 812 ) * YC( ISOPOOH ) * YC( OH )\n RXRAT( 813 ) = RKI( 813 ) * YC( IEPOX ) * YC( OH )\n RXRAT( 814 ) = RKI( 814 ) * YC( IEPOXOO ) * YC( HO2 )\n RXRAT( 815 ) = RKI( 815 ) * YC( IEPOXOO ) * YC( NO )\n RXRAT( 816 ) = RKI( 816 ) * YC( IEPOXOO ) * YC( MEO2 )\n RXRAT( 817 ) = RKI( 817 ) * YC( IEPOXOO ) * YC( RO2C )\n RXRAT( 818 ) = RKI( 818 ) * YC( IEPOXOO ) * YC( MECO3 )\n RXRAT( 819 ) = RKI( 819 ) * YC( ISOPOOH )\n RXRAT( 820 ) = RKI( 820 ) * YC( RNO3I ) * YC( OH )\n RXRAT( 821 ) = RKI( 821 ) * YC( NISOPOOH ) * YC( OH )\n RXRAT( 822 ) = RKI( 822 ) * YC( NISOPOOH ) * YC( OH )\n RXRAT( 823 ) = RKI( 823 ) * YC( MACR ) * YC( OH )\n RXRAT( 824 ) = RKI( 824 ) * YC( MACR ) * YC( NO3 )\n RXRAT( 825 ) = RKI( 825 ) * YC( MACR )\n RXRAT( 826 ) = RKI( 826 ) * YC( MACR ) * YC( CL )\n RXRAT( 827 ) = RKI( 827 ) * YC( IMACO3 ) * YC( NO )\n RXRAT( 828 ) = RKI( 828 ) * YC( IMACO3 ) * YC( HO2 )\n RXRAT( 829 ) = RKI( 829 ) * YC( IMACO3 ) * YC( NO3 )\n RXRAT( 830 ) = RKI( 830 ) * YC( IMACO3 ) * YC( MEO2 )\n RXRAT( 831 ) = RKI( 831 ) * YC( IMACO3 ) * YC( RO2C )\n RXRAT( 832 ) = RKI( 832 ) * YC( IMACO3 ) * YC( RO2XC )\n RXRAT( 833 ) = RKI( 833 ) * YC( IMACO3 ) * YC( MECO3 )\n RXRAT( 834 ) = RKI( 834 ) * YC( IMACO3 ) * YC( RCO3 )\n RXRAT( 835 ) = RKI( 835 ) * YC( IMACO3 ) * YC( BZCO3 )\n RXRAT( 836 ) = RKI( 836 ) * YC( IMACO3 ) * YC( MACO3 )\n RXRAT( 837 ) = RKI( 837 ) * YC( IMACO3 ) * YC( IMACO3 )\n RXRAT( 838 ) = RKI( 838 ) * YC( MACROO )\n RXRAT( 839 ) = RKI( 839 ) * YC( IMACO3 ) * YC( NO2 )\n RXRAT( 840 ) = RKI( 840 ) * YC( IMAPAN )\n RXRAT( 841 ) = RKI( 841 ) * YC( IMAPAN )\n RXRAT( 842 ) = RKI( 842 ) * YC( xCO ) * YC( IMACO3 )\n RXRAT( 843 ) = RKI( 843 ) * YC( xTBUO ) * YC( IMACO3 )\n RXRAT( 844 ) = RKI( 844 ) * YC( xMACO3 ) * YC( IMACO3 )\n RXRAT( 845 ) = RKI( 845 ) * YC( xRCO3 ) * YC( IMACO3 )\n RXRAT( 846 ) = RKI( 846 ) * YC( xMECO3 ) * YC( IMACO3 )\n RXRAT( 847 ) = RKI( 847 ) * YC( xMEO2 ) * YC( IMACO3 )\n RXRAT( 848 ) = RKI( 848 ) * YC( xNO2 ) * YC( IMACO3 )\n RXRAT( 849 ) = RKI( 849 ) * YC( xOH ) * YC( IMACO3 )\n RXRAT( 850 ) = RKI( 850 ) * YC( xHO2 ) * YC( IMACO3 )\n RXRAT( 851 ) = RKI( 851 ) * YC( xACROLEIN ) * YC( IMACO3 )\n RXRAT( 852 ) = RKI( 852 ) * YC( xHOCCHO ) * YC( IMACO3 )\n RXRAT( 853 ) = RKI( 853 ) * YC( zRNO3 ) * YC( IMACO3 )\n RXRAT( 854 ) = RKI( 854 ) * YC( yRAOOH ) * YC( IMACO3 )\n RXRAT( 855 ) = RKI( 855 ) * YC( yR6OOH ) * YC( IMACO3 )\n RXRAT( 856 ) = RKI( 856 ) * YC( yROOH ) * YC( IMACO3 )\n RXRAT( 857 ) = RKI( 857 ) * YC( xRNO3 ) * YC( IMACO3 )\n RXRAT( 858 ) = RKI( 858 ) * YC( xIPRD ) * YC( IMACO3 )\n RXRAT( 859 ) = RKI( 859 ) * YC( xMVK ) * YC( IMACO3 )\n RXRAT( 860 ) = RKI( 860 ) * YC( xMACR ) * YC( IMACO3 )\n RXRAT( 861 ) = RKI( 861 ) * YC( xAFG3 ) * YC( IMACO3 )\n RXRAT( 862 ) = RKI( 862 ) * YC( xAFG2 ) * YC( IMACO3 )\n RXRAT( 863 ) = RKI( 863 ) * YC( xAFG1 ) * YC( IMACO3 )\n RXRAT( 864 ) = RKI( 864 ) * YC( xBALD ) * YC( IMACO3 )\n RXRAT( 865 ) = RKI( 865 ) * YC( xBACL ) * YC( IMACO3 )\n RXRAT( 866 ) = RKI( 866 ) * YC( xMGLY ) * YC( IMACO3 )\n RXRAT( 867 ) = RKI( 867 ) * YC( xGLY ) * YC( IMACO3 )\n RXRAT( 868 ) = RKI( 868 ) * YC( xPROD2 ) * YC( IMACO3 )\n RXRAT( 869 ) = RKI( 869 ) * YC( xMEK ) * YC( IMACO3 )\n RXRAT( 870 ) = RKI( 870 ) * YC( xACETONE ) * YC( IMACO3 )\n RXRAT( 871 ) = RKI( 871 ) * YC( xRCHO ) * YC( IMACO3 )\n RXRAT( 872 ) = RKI( 872 ) * YC( xCCHO ) * YC( IMACO3 )\n RXRAT( 873 ) = RKI( 873 ) * YC( xHCHO ) * YC( IMACO3 )\n RXRAT( 874 ) = RKI( 874 ) * YC( xCL ) * YC( IMACO3 )\n RXRAT( 875 ) = RKI( 875 ) * YC( xCLACET ) * YC( IMACO3 )\n RXRAT( 876 ) = RKI( 876 ) * YC( xCLCCHO ) * YC( IMACO3 )\n RXRAT( 877 ) = RKI( 877 ) * YC( IMAPAN ) * YC( OH )\n RXRAT( 878 ) = RKI( 878 ) * YC( IMAE ) * YC( OH )\n RXRAT( 879 ) = RKI( 879 ) * YC( IHMML ) * YC( OH )\n RXRAT( 880 ) = RKI( 880 ) * YC( IMPAA ) * YC( OH )\n RXRAT( 881 ) = RKI( 881 ) * YC( MTNO3 ) * YC( CL )\n RXRAT( 882 ) = RKI( 882 ) * YC( MTNO3 ) * YC( OH )\n RXRAT( 883 ) = RKI( 883 ) * YC( MTNO3 )\n RXRAT( 884 ) = RKI( 884 ) * YC( NO2 )\n RXRAT( 885 ) = RKI( 885 ) * YC( N2O5 )\n RXRAT( 886 ) = RKI( 886 ) * YC( N2O5 )\n RXRAT( 887 ) = RKI( 887 ) * YC( H2NO3PIJ )\n RXRAT( 888 ) = RKI( 888 ) * YC( H2NO3PK )\n RXRAT( 889 ) = RKI( 889 ) * YC( H2NO3PIJ ) * YC( ACLI )\n RXRAT( 890 ) = RKI( 890 ) * YC( H2NO3PIJ ) * YC( ACLJ )\n RXRAT( 891 ) = RKI( 891 ) * YC( H2NO3PK ) * YC( ACLK )\n! RXRAT( 892 ) = RKI( 892 ) * YC( O3 )\n RXRAT( 893 ) = RKI( 893 ) * YC( IEPOX )\n RXRAT( 894 ) = RKI( 894 ) * YC( IMAE )\n RXRAT( 895 ) = RKI( 895 ) * YC( IHMML )\n RXRAT( 896 ) = RKI( 896 ) * YC( IEPOXP )\n RXRAT( 897 ) = RKI( 897 ) * YC( IEPOXP ) * YC( ASO4J )\n RXRAT( 898 ) = RKI( 898 ) * YC( IEPOXP ) * YC( AIETETJ )\n RXRAT( 899 ) = RKI( 899 ) * YC( IEPOXP ) * YC( AIEOSJ )\n RXRAT( 900 ) = RKI( 900 ) * YC( IMAEP )\n RXRAT( 901 ) = RKI( 901 ) * YC( IMAEP ) * YC( ASO4J )\n RXRAT( 902 ) = RKI( 902 ) * YC( IHMMLP )\n RXRAT( 903 ) = RKI( 903 ) * YC( IHMMLP ) * YC( ASO4J )\n RXRAT( 904 ) = RKI( 904 ) * YC( NO3 )\n RXRAT( 905 ) = RKI( 905 ) * YC( AISO1J )\n RXRAT( 906 ) = RKI( 906 ) * YC( AISO2J )\n RXRAT( 907 ) = RKI( 907 ) * YC( ASQTJ )\n RXRAT( 908 ) = RKI( 908 ) * YC( AAVB2J )\n RXRAT( 909 ) = RKI( 909 ) * YC( AAVB3J )\n RXRAT( 910 ) = RKI( 910 ) * YC( AAVB4J )\n RXRAT( 911 ) = RKI( 911 ) * YC( APOCI ) * YC( OH )\n RXRAT( 912 ) = RKI( 912 ) * YC( APNCOMI ) * YC( OH )\n RXRAT( 913 ) = RKI( 913 ) * YC( APOCJ ) * YC( OH )\n RXRAT( 914 ) = RKI( 914 ) * YC( APNCOMJ ) * YC( OH )\n RXRAT( 915 ) = RKI( 915 ) * YC( PCVOC ) * YC( OH )\n RXRAT( 916 ) = RKI( 916 ) * YC( VLVPO1 ) * YC( OH )\n RXRAT( 917 ) = RKI( 917 ) * YC( VSVPO1 ) * YC( OH )\n RXRAT( 918 ) = RKI( 918 ) * YC( VSVPO2 ) * YC( OH )\n RXRAT( 919 ) = RKI( 919 ) * YC( VSVPO3 ) * YC( OH )\n RXRAT( 920 ) = RKI( 920 ) * YC( VIVPO1 ) * YC( OH )\n RXRAT( 921 ) = RKI( 921 ) * YC( VLVOO1 ) * YC( OH )\n RXRAT( 922 ) = RKI( 922 ) * YC( VLVOO2 ) * YC( OH )\n RXRAT( 923 ) = RKI( 923 ) * YC( VSVOO1 ) * YC( OH )\n RXRAT( 924 ) = RKI( 924 ) * YC( VSVOO2 ) * YC( OH )\n RXRAT( 925 ) = RKI( 925 ) * YC( VSVOO3 ) * YC( OH )\n RXRAT( 926 ) = RKI( 926 ) * YC( AMTNO3J )\n RXRAT( 927 ) = RKI( 927 ) * YC( AISOPNNJ )\n RXRAT( 928 ) = RKI( 928 ) * YC( GLY )\n RXRAT( 929 ) = RKI( 929 ) * YC( MGLY )\n\n\n RETURN\n\n END\n" }, { "path": "CCTM/src/gas/ebi_saprc07tic_ae7i_aq/hrsolver.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\n SUBROUTINE HRSOLVER( JDATE, JTIME, C, R, L )\n\n\nC**********************************************************************\nC\nC FUNCTION: EBI solver\nC\nC PRECONDITIONS: For the SAPRC07TIC_AE7I_AQ mechanism\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: HRRATES, HRG1, HRG2, HRG3\nC HRG4, HRPRODLOSS\nC DEGRADE\nC\nC REVISION HISTORY: Created by EBI solver program, Jun 8, 2022\nC 21 Jun 10 J.Young: convert for Namelist redesign\nC 18 Jul 14 B.Hutzell: revised 1) to use the RXNS_DATA and RXNS_FUNCTION\nC modules instead of include files and 2) to use\nC real(8) variables\nC**********************************************************************\n\n USE RUNTIME_VARS\n USE UTILIO_DEFN\n USE RXNS_DATA\n USE HRDATA\n USE PA_IRR_MODULE\n#ifdef isam\n USE SA_IRR_DEFN\n#endif\n#ifdef sens\n USE DDM3D_CHEM, ONLY: YCDDM\n USE CGRID_SPCS, ONLY: GC_SPC\n#endif\n USE DEGRADE_ROUTINES, ONLY : DEGRADE, SA_DEGRADE_STEP\n\n\n IMPLICIT NONE\n\nC..INCLUDES:\n\n\nC..ARGUMENTS:\n INTEGER, INTENT( IN ) :: JDATE ! Current date (YYYYDDD)\n INTEGER, INTENT( IN ) :: JTIME ! Current time (HHMMSS)\n INTEGER, INTENT( IN ) :: C, R, L ! Cell col, row, lev\n\nC..PARAMETERS:\n INTEGER, PARAMETER :: MXBKUPS = 5 ! Max no. of back-ups allowed\n INTEGER, PARAMETER :: STAT = 1 ! Status code\n\n REAL( 8 ), PARAMETER :: DTMIN = 1.0D-08 ! Smallest time step allowed, min\n REAL( 8 ), PARAMETER :: EPSLON = 1.0D-30 ! Small number\n REAL( 8 ), PARAMETER :: MAXPRED = 1.0D+03 ! Upper limit on predicted conc\n REAL( 8 ), PARAMETER :: ZERO = 1.0D-40 ! effective zero\n REAL( 8 ), PARAMETER :: FLOOR = 1.0D-08 ! Min conc for RTOL\n\nC..EXTERNAL FUNCTIONS:\n\n\nC..SAVED LOCAL VARIABLES:\n CHARACTER( 16 ), SAVE :: PNAME = 'HRSOLVER' ! Program name\n LOGICAL, SAVE :: LFIRST = .TRUE. ! Flag for first call\n LOGICAL, ALLOCATABLE, SAVE :: LEBISPFL( : ) ! Convergence Error Flag for EBI species\n LOGICAL, ALLOCATABLE, SAVE :: MAXCONC ( : ) ! MAXCONC ERROR Flag for EBI species\n LOGICAL, ALLOCATABLE, SAVE :: NOTMAX ( : ) ! Initial concentration not greater than MAXPRED\n\n REAL( 8 ), ALLOCATABLE, SAVE :: RERROR ( : ) ! Relative Error\n REAL( 8 ), ALLOCATABLE, SAVE :: AERROR ( : ) ! Absolute Error\n\n\nC..SCRATCH LOCAL VARIABLES:\n\n CHARACTER( 132 ) :: MSG ! Message text\n\n INTEGER CELLNO ! Cell no. fo debug output\n INTEGER ITER ! Loop index for Backward Euler iterations\n INTEGER S ! Loop index for species\n INTEGER SP ! Imbedded loop index for species\n INTEGER NEBI ! Loop index for time steps\n INTEGER NINR ! No. of inner time steps\n#ifdef hrdebug\n INTEGER N ! Loop index\n#endif\n INTEGER M ! species index\n INTEGER EBI ! Loop index\n INTEGER NBKUPS ! No. of times time step reduced\n INTEGER ERR ! Allocate error flag\n\n\n LOGICAL LEBI_CONV ! Flag for EBI convergence\n LOGICAL MXFL ! hit MAXPRED flag\n\n REAL( 8 ) DTC ! Time step to take\n REAL( 8 ) DTG ! Time step in degrade routines, sec\n REAL( 8 ) FXDLOSS ! Total loss due to negative stoichiometry\n REAL( 8 ) VARLOSS ! Loss excluding negative stoichiometry\n\n\n#ifdef hrdebug\n CHARACTER( 8 ) :: NOTE ! Convergence fail note\n\n INTEGER COL ! Column to generate deboug output for\n INTEGER ROW ! Row to generate deboug output for\n INTEGER LEV ! Level to generate deboug output for\n INTEGER DBGOUT ! Output unit for debu outpt\n\n LOGICAL LDEBUG ! Debug output flag\n LOGICAL, SAVE :: LOPEN = .FALSE.\n#endif\n\n\nC**********************************************************************\n\n\n IF( LFIRST ) THEN\n LFIRST = .FALSE.\n\n ALLOCATE ( LEBISPFL( NUMB_MECH_SPC ), STAT = ERR )\n IF ( ERR .NE. 0 ) THEN\n MSG = 'Error allocating LEBISPFL'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n END IF\n\n ALLOCATE ( MAXCONC( NUMB_MECH_SPC ), STAT = ERR )\n IF ( ERR .NE. 0 ) THEN\n MSG = 'Error allocating MAXCONC'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n END IF\n\n ALLOCATE ( NOTMAX( NUMB_MECH_SPC ), STAT = ERR )\n IF ( ERR .NE. 0 ) THEN\n MSG = 'Error allocating NOTMAX'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n END IF\n\n ALLOCATE ( RERROR( NUMB_MECH_SPC ), STAT = ERR )\n IF ( ERR .NE. 0 ) THEN\n MSG = 'Error allocating ERROR'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n END IF\n\n ALLOCATE ( AERROR( NUMB_MECH_SPC ), STAT = ERR )\n IF ( ERR .NE. 0 ) THEN\n MSG = 'Error allocating AERROR'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n END IF\n\n END IF\n\n#ifdef sens\n YCDDM = 0.0D0\n#endif\n\nc++++++++++++++++++++++++Debug section++++++++++++++++++++++++++++++++++\n#ifdef hrdebug\n COL = 0\n ROW = 0\n LEV = 0\n IF( C .EQ. COL .AND. R .EQ. ROW .AND. L .EQ. LEV ) THEN\nc IF( JTIME .EQ. 160000 ) THEN\n LDEBUG = .TRUE.\n ELSE\n LDEBUG = .FALSE.\n END IF\n\n IF( LDEBUG ) THEN\n IF( .NOT. LOPEN ) THEN\n DBGOUT = JUNIT()\n OPEN( UNIT = DBGOUT, FILE = 'debug.out' )\n LOPEN = .TRUE.\n END IF\n\n WRITE( DBGOUT, '( A, 2I4, I3, 1X, I7, 1X, I6 ) ' )\n & 'Debug output for col/row/lev/date/time:',\n & C, R, L, JDATE, JTIME\n WRITE( DBGOUT, '( A, F7.2) ' )\n & 'EBI_TMSTEP = ', EBI_TMSTEP\n WRITE( DBGOUT, '( A )' ) 'Starting concs and rate constants'\n DO N = 1, NUMB_MECH_SPC\n WRITE( DBGOUT, '( A, I3, 1X, A, 1X, 1PD13.5 )' )\n & 'SP ',N, CHEMISTRY_SPC( N ), YC( N )\n END DO\n DO N = 1, N_RXNS\n WRITE( DBGOUT, '( A, I3, 1X, 1PD13.5 )' )\n & 'RKI ', N, RKI( N )\n END DO\n END IF\n#endif\nc++++++++++++++++++++++++Debug section++++++++++++++++++++++++++++++++++\n\n\n\n DTC = EBI_TMSTEP\n\n N_EBI_IT = 0\n NBKUPS = 0\n N_INR_STEPS = 1\n NEBI = 1\n LEBI_CONV = .TRUE.\n#ifdef isam\n UPDATE_SOLD = .FALSE.\n UPDATE_PROBABILITIES = .TRUE.\n CALL SA_IRR_UNBLOCKED ( .TRUE., RKI, YC, DTC )\n#endif\n\n\n DO S = 1, NUMB_MECH_SPC\n IF( YC( S ) .LE. MAXPRED )THEN\n NOTMAX( S ) = .TRUE.\n ELSE\n NOTMAX( S ) = .FALSE.\n WRITE(LOGDEV,91000)C, R, L, CHEMISTRY_SPC(S), YC(S)\n END IF\n END DO\n\n! Initial PA_IRR\n IF( CALL_IRR ) CALL PA_IRR ( .TRUE., RKI, YC, DTC )\n SA_DEGRADE_STEP = 0\n TSTEP_EBI: DO ! EBI time-step loop\n\n SUBSTEP_EBI: DO NINR = 1, N_INR_STEPS ! time substeps loop\n! first attempt is sub time-step equals EBI time-step\n\n IF( LEBI_CONV ) YC0 = YC ! Set ICs for EBI iterations\n\n ITER_SUBSTEP: DO ITER = 1, NEBITER ! iteration loop solving for sub time-step\n\n\n N_EBI_IT = N_EBI_IT + 1\n CALL HRRATES\n\nc++++++++++++++++++++++++Debug section++++++++++++++++++++++++++++++++++\n#ifdef hrdebug\n IF( LDEBUG ) THEN\n WRITE( DBGOUT, '( A, I5 )' ) 'ITER NO ', ITER\n WRITE( DBGOUT, '( A, F12.5 )' )\n & ' DTC=', DTC\n\n IF( ITER .EQ. 1 ) THEN\n WRITE( DBGOUT, '( A )' ) 'Starting reaction rates'\n DO N = 1, N_RXNS\n WRITE( DBGOUT, '( A, I3, 1X, 1PD13.5 )' )\n & 'RXRAT ', N, RXRAT( NCELL, N )\n END DO\n END IF\n END IF\n#endif\nc++++++++++++++++++++++++Debug section++++++++++++++++++++++++++++++++++\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Call routines to compute concentrations of groups 1-4\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n CALL HRG1( DTC )\n\n CALL HRG2( DTC )\n\n CALL HRG3( DTC )\n\n CALL HRG4( DTC )\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Do the Euler backward method\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n CALL HRPRODLOSS\n\n DO EBI = 1, N_EBISP\n S = EBISP( EBI )\n YCP( S ) = YC( S )*( ( YC0( S ) + PROD( S ) * DTC )\n & / ( YC( S ) + LOSS( S ) * DTC ) )\n END DO\n\n\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Check for convergence\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n LEBI_CONV = .TRUE.\n MXFL = .FALSE.\n\n DO S = 1, NUMB_MECH_SPC\n LEBISPFL( S ) = .FALSE.\n YCP( S ) = MAX( ZERO, YCP( S ) )\n AERROR( S ) = MAX( ABS( YC(S)-YCP(S) ), EPSLON )\n RERROR( S ) = AERROR( S ) / MAX( FLOOR, ABS( YC(S)+YCP(S) ) )\n IF( RERROR( S ) .GT. RTOL(S) .OR. AERROR( S ) .GT. 1.0D-5 )THEN\n LEBI_CONV = .FALSE.\n LEBISPFL( S ) = .TRUE.\n END IF\nc..test if predictions growing too large\n IF( YCP( S ) .GT. MAXPRED .AND. NOTMAX( S ) ) THEN\n MXFL = .TRUE.\n LEBI_CONV = .FALSE.\n LEBISPFL( S ) = .TRUE.\n END IF\n YC( S ) = YCP( S )\n END DO\nc..test if predictions growing too large, abort interation loop\n IF( MXFL ) EXIT ITER_SUBSTEP\n\nc++++++++++++++++++++++++Debug section++++++++++++++++++++++++++++++++++\n#ifdef hrdebug\n IF( LDEBUG ) THEN\n WRITE( DBGOUT, '( A, I5 )' ) 'Concs after ITER= ', ITER\n DO S = 1, NUMB_MECH_SPC\n\n IF( LEBISPFL( S ) ) THEN\n NOTE = 'CONV FAIL'\n ELSE\n NOTE = ' '\n END IF\n\n WRITE( DBGOUT, '( I3, 1X, A, 1PD13.5, 1X, A )' )\n & S, CHEMISTRY_SPC( S ), YC( S ), NOTE\n END DO\n IF( LEBI_CONV ) WRITE( DBGOUT, '( A )' )\n & '****Convergence achieved'\n END IF\n#endif\nc++++++++++++++++++++++++Debug section++++++++++++++++++++++++++++++++++\n\n IF( LEBI_CONV ) THEN\n\n DTG = 60.0D0 * DTC\n DO S = 1, NUMB_MECH_SPC\n M = CGRID_INDEX( S )\n YCCELL( M ) = YC( S )\n END DO\n#if defined(isam) || defined(verbose_isam)\n SA_DEGRADE_STEP = SA_DEGRADE_STEP + 1\n#endif\n IF( CALL_DEG )CALL DEGRADE(YCCELL, DTG, JDATE, JTIME) ! :WTH Call degradation routine\n\n IF( CALL_IRR ) CALL PA_IRR ( .FALSE., RKI, YC, DTC )\n#ifdef isam\n IF( NEBI .EQ. N_EBI_STEPS )UPDATE_SOLD = .TRUE.\n CALL SA_IRR_UNBLOCKED ( .FALSE., RKI, YC, DTC )\n UPDATE_PROBABILITIES = .FALSE.\n#endif\n\n#ifdef sens\nC Update the sum for the average over the chemistry integration\n YCDDM = YCDDM\n & + ( ( 0.5D0 * DTC ) * ( YC + YC0 ) )\n#endif\n\n CYCLE SUBSTEP_EBI ! solve for next sub time-step\n\n END IF\n\n END DO ITER_SUBSTEP\n! interating for substep failed, attempt to increase number of sub time-steps\n NBKUPS = NBKUPS + 1\n\n! IF( NBKUPS .LE. MXBKUPS ) THEN\n IF ( DTC .GT. DTMIN ) THEN\n! reset YC and cut sub time-step in half\n IF ( MXFL ) THEN\n WRITE( LOGDEV, 92008 ) NBKUPS\n WRITE( LOGDEV, 92009 ) C+PECOL_OFFSET, R+PEROW_OFFSET, L\n DO S = 1, NUMB_MECH_SPC\n IF( LEBISPFL( S ) )WRITE( LOGDEV, 92010 )TRIM( CHEMISTRY_SPC( S ) ),\n & YC0(S), YCP(S)\n END DO\n ELSE\n WRITE( LOGDEV, 92000 ) C+PECOL_OFFSET, R+PEROW_OFFSET, L, NBKUPS\n DO S = 1, NUMB_MECH_SPC\n IF( LEBISPFL( S ) )WRITE( LOGDEV, 92010 )TRIM( CHEMISTRY_SPC( S ) ),\n & YC0(S), YCP(S)\n END DO\n END IF\n\n YC = YC0 ! Set ICs for EBI time-step\n\n DTC = 0.5D0 * DTC\n\n N_INR_STEPS = 2 ** NBKUPS\n\n EXIT SUBSTEP_EBI\n\n ELSE\n\n WRITE( LOGDEV, 92040 ) C+PECOL_OFFSET, R+PEROW_OFFSET, L\n\n WRITE( LOGDEV, 92060 )\n DO S = 1, NUMB_MECH_SPC\n IF( LEBISPFL( S ) ) WRITE( LOGDEV, 92080 ) CHEMISTRY_SPC( S ),\n & YC0(S), YCP(S)\n END DO\n\n MSG = 'ERROR: Stopping because of EBI convergence failures'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT2 )\n\n END IF\n\n END DO SUBSTEP_EBI\n\n IF( LEBI_CONV )THEN\n NEBI = 1 + NEBI\n! test for completing final EBI time-step\n IF( NEBI .GT. N_EBI_STEPS )EXIT TSTEP_EBI\n! test whether backups were done\n IF( NBKUPS .EQ. 0 )CYCLE TSTEP_EBI\n! Reset NBKUPS, N_INR_STEPS and sub-time step\n NBKUPS = 0\n N_INR_STEPS = 1\n DTC = EBI_TMSTEP\n END IF\n\n END DO TSTEP_EBI\n\n#ifdef sens\n! Compute average over integration and filter values\n YCDDM = YCDDM / CHEMSTEP\n WHERE ( YCDDM .LT. 1.0D-25 ) YCDDM = 0.0D0\n#endif\n\n\n RETURN\n\n\n91000 FORMAT( 'WARNING: EBI solver in cell (',2(I4,','),I4,') Init.Conc. for ',\n & A16, ' = ', ES12.4,' ppmV')\n\n92000 FORMAT( 'WARNING: EBI Euler convergence failure' /\n & ' Reducing EBI time step because of ',\n & ' convergence failure in ' /\n & ' Cell (', I3, ', ', I3, ', ', I3, ')' ,\n & ' Solution Attempt #', I2 /\n & ' Below Species Causing Error: Init.Conc, Pred.Conc.' )\n\n92008 FORMAT( 'WARNING: At solution attempt #', I2 )\n92009 FORMAT( 'WARNING: EBI Euler convergence failure' /\n & ' Reducing EBI time step because of ',\n & ' MAXPRED failure in ' /\n & ' Cell (', I3, ', ', I3, ', ', I3, ')' ,\n & ' for the below species: : Init.Conc, Pred.Conc.')\n92010 FORMAT( A16, 2(1X,ES12.4), ' ppmV' )\n\n92040 FORMAT( 'ERROR: Max number of EBI time step reductions exceeded'\n & / ' Convergence failure for cell (', I3, ', ', I3,\n & ', ', I3, ')' )\n\n92060 FORMAT( ' Convergence failure for the following species:',\n & 'Init.Conc, Pred.Conc.' )\n\n92080 FORMAT( 10X, A, 2(1X,ES12.4), ' ppmV ' )\n\n92061 FORMAT( ' Convergence failure for the following species:',\n & 'Init.Conc, Pred.Conc.,Rel.Error,' )\n\n92081 FORMAT( 10X, A, 2(1X,ES12.4), ' ppmV ', ES12.4,'%' )\n\n END\n" }, { "path": "CCTM/src/gas/ros3/rbdata_mod.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/CCTM/src/gas/ros3/rbdata_mod.F,v 1.4 2011/10/21 16:11:10 yoj Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\n\n MODULE RBDATA\n\nC*************************************************************************\nC\nC Function: Mechanism & solver data for ROS3 solver\nC \nC Preconditions: None\nC \nC Key Subroutines/Functions Called: None\nC\nC REVISIOn History: Prototype created by Jerry Gipson, August, 2004\nC 31 Jan 05 J.Young: dyn alloc - establish both horizontal\nC & vertical domain specifications in one module (GRID_CONF)\nC Get BLKSIZE from module GRID_CONF\nC 29 Jul 05 WTH: added variable used by degrade routines.\nC 10 Aug 11 J.Young: Replaced I/O API include files\nC with UTILIO_DEFN\nC 15 Jul 14 B.Hutzell: 1) added variable to variable to converted\nC species concentration unit based on species type\nC 21 Mar 22 G . Sarwar: changed BLKLAND to BLKSEAWATER\nC*************************************************************************\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n\n IMPLICIT NONE\n\n#ifdef rbstats\n INTEGER NSTEPS ! No. of steps for stats\n INTEGER NFAILS ! No. of convergence failures for stats\n INTEGER N_BAD_STARTS ! No. of failures at int start for stats\n#endif\n\nc..Miscellaneous variables\n INTEGER, PARAMETER :: NCS = 1 ! no. of chemical mechanisms\n INTEGER, PARAMETER :: NCS2 = 2 * NCS ! accounts for day/night \n\n INTEGER, PARAMETER :: MXRCT = 3 ! max no. of reactants\n\nc..Sparse Matrix maximum dimensions\n INTEGER, PARAMETER :: MAXGL = 150 ! Max # of P/L terms per species\n INTEGER, PARAMETER :: MAXGL2 = 70 ! Dimension (smaller than maxgl)\n INTEGER, PARAMETER :: MAXGL3 = 100 ! Dimension (smaller than maxgl)\n INTEGER, PARAMETER :: MXARRAY = 5400 ! Max # of terms in I-hJ matrix\n\nc..Mechanism specific variables\n INTEGER :: N_SPEC ! No. of species in mech\n INTEGER :: N_RXNS ! No. of reactions in mech\n\n INTEGER :: MXCOUNT1, MXCOUNT2 ! Sparse matrx pntr dimensions\n INTEGER :: MXRR, MXRP ! Max # of PD terms\n\n LOGICAL :: LREORDER ! Flag to reorder or not\n LOGICAL :: LORDERING ! Flag for reordering\n LOGICAL :: LSUNLIGHT ! Flag for sun\n\nc...Allocatable arrays\n REAL( 8 ), ALLOCATABLE :: RKI( :,: ) ! Rate constants \n REAL( 8 ), ALLOCATABLE :: ATOL( : ) ! Species absolute tolerances \n REAL( 8 ), ALLOCATABLE :: RTOL( : ) ! Species relative tolerances \n REAL, ALLOCATABLE :: FORWARD_CONV( : ) ! CGRID to CHEM Species conversion factor \n REAL( 8 ), ALLOCATABLE :: REVERSE_CONV( : ) ! CHEM to CGRID Species conversion factor\n REAL( 8 ), ALLOCATABLE :: Y( :,: ) ! Species concentrations\n REAL( 8 ), ALLOCATABLE :: Y_DEGRADE( :,: ) ! Concentration for degradation\n#ifdef sens\n REAL( 8 ), ALLOCATABLE :: YAVE( :,: ) ! Species concentrations\n#endif\n\nc..Block variables\n INTEGER :: BLKID ! Block ID\n INTEGER :: NBLKS ! No. of blocks in domain\n INTEGER :: NUMCELLS ! No. of cells in a block\n\nc..Sparse Matrix variables \n INTEGER :: ISCHAN ! No. of reacting species in current mech\n INTEGER :: ISCHANG( NCS ) ! No. of reacting species in day & nite\n INTEGER :: NUSERAT( NCS2 ) ! No. of active rxns in day & nite\n INTEGER :: IARRAY( NCS2 ) ! No. of PD terms in I-hJ matrix\n\nC Most of the following are allocated in RBINIT\n INTEGER, ALLOCATABLE :: NKUSERAT( :,: ) ! Rxn nos of active rxns\n INTEGER, ALLOCATABLE :: IRM2 ( :,:,: ) ! Species rxn array\n INTEGER, ALLOCATABLE :: ICOEFF( :,:,: ) ! stoich coeff indx\n\n INTEGER, ALLOCATABLE :: JARRAYPT( :,:,: ) ! A-Matrix index\n INTEGER, ALLOCATABLE :: JARRL( :,:,: ) ! Pntr to PD Loss term\n INTEGER, ALLOCATABLE :: JARRP( :,:,: ) ! Pntr to PD Prod term\n INTEGER, ALLOCATABLE :: JLIAL( :,:,: ) ! Spec # for PD loss term\n INTEGER, ALLOCATABLE :: JPIAL( :,:,: ) ! Spec # for PD prod term \n\n INTEGER, ALLOCATABLE :: INEW2OLD( :,: ) ! Spec index xref\n INTEGER, ALLOCATABLE :: IOLD2NEW( :,: ) ! Spec index xref\n\n INTEGER, ALLOCATABLE :: NDERIVL( :,: ) ! # of PD loss terms\n INTEGER, ALLOCATABLE :: NDERIVP( :,: ) ! # of PD prod terms\n\n\nc..indices for decomposition\n INTEGER, ALLOCATABLE :: JZLO( : ) ! # of ops in decmp loop 1\n INTEGER, ALLOCATABLE :: IDEC1LO( :,: ) ! decomp loop 1 bound\n INTEGER, ALLOCATABLE :: IDEC1HI( :,: ) ! decomp loop 1 bound\n\n INTEGER, ALLOCATABLE :: IJDECA( : ) ! Pntr for ij term 1 in decomp loop 1\n INTEGER, ALLOCATABLE :: IJDECB( : ) ! Pntr for ij term 2 in decomp loop 1\n INTEGER, ALLOCATABLE :: IKDECA( : ) ! Pntr for ik term 1 in decomp loop 1\n INTEGER, ALLOCATABLE :: IKDECB( : ) ! Pntr for ik term 2 in decomp loop 1\n INTEGER, ALLOCATABLE :: KJDECA( : ) ! Pntr for kj term 1 in decomp loop 1\n INTEGER, ALLOCATABLE :: KJDECB( : ) ! Pntr for kj term 2 in decomp loop 1\n INTEGER, ALLOCATABLE :: JZEROA( : ) ! Pntr for j term 1 in decomp loop 2\n INTEGER, ALLOCATABLE :: JZEROB( : ) ! Pntr for j term 2 in decomp loop 2\n\n INTEGER, ALLOCATABLE :: JHIZ1( :,: ) ! # of 2-term groups in dcmp loop 2\n INTEGER, ALLOCATABLE :: JHIZ2( :,: ) ! # of 1-term groups in dcmp loop 2\n\n\n INTEGER, ALLOCATABLE :: KZLO1( :,: ) ! Start indx for 2-term bksb loop 1\n INTEGER, ALLOCATABLE :: KZLO2( :,: ) ! Start indx for 1-term bksb loop 1\n INTEGER, ALLOCATABLE :: KZHI0( :,: ) ! End index for 5-term bksub loop 1\n INTEGER, ALLOCATABLE :: KZHI1( :,: ) ! End index for 2-term bksub loop 1\n INTEGER, ALLOCATABLE :: KZERO( :,: ) ! Pointer to bksub j index\n\n INTEGER, ALLOCATABLE :: MZHI0 ( :,: ) ! End index for 5-term bksub loop 2\n INTEGER, ALLOCATABLE :: MZHI1 ( :,: ) ! End index for 2-term bksub loop 2\n INTEGER, ALLOCATABLE :: MZILCH( :,: ) ! # of calcs in bksub loop 2 (U)\n INTEGER, ALLOCATABLE :: MZLO1 ( :,: ) ! Start indx for 2-term bksb loop 2\n INTEGER, ALLOCATABLE :: MZLO2 ( :,: ) ! Start indx for 1-term bksb loop 2\n INTEGER, ALLOCATABLE :: KZILCH( :,: ) ! # of calcs in bksub loop 1 (L)\n\nC Allocated here\n INTEGER, ALLOCATABLE :: CCOL( : ) ! Column indx of ordered cells\n INTEGER, ALLOCATABLE :: CROW( : ) ! Row indx for ordered cells\n INTEGER, ALLOCATABLE :: CLEV( : ) ! Layer indx of ordered cells\n INTEGER, ALLOCATABLE :: BLKCNO( : ) ! Cell offset for each block\n INTEGER, ALLOCATABLE :: BLKLEN( : ) ! # of cells in each block\n INTEGER, ALLOCATABLE :: NORDCELL( : ) ! Ordered cell's original cell # \n\nC Domain decomposition info from CONC file\n INTEGER :: STARTCOLCO\n INTEGER :: ENDCOLCO\n INTEGER :: STARTROWCO\n INTEGER :: ENDROWCO\n\n REAL( 8 ), ALLOCATABLE :: VDIAG( :,: ) ! LU-Matrix diagonal terms\n REAL( 8 ), ALLOCATABLE :: CC2( :,: ) ! Array holding LU-Matrix\n\n\n REAL( 8 ), ALLOCATABLE :: ERRMX2( : ) ! Estimated stiffness of each cell\n REAL( 8 ), ALLOCATABLE :: BLKTEMP( : ) ! Cell temp, deg K\n REAL( 8 ), ALLOCATABLE :: BLKPRES( : ) ! Cell press, Pa\n REAL( 8 ), ALLOCATABLE :: BLKCH2O( : ) ! Cell water conc, ppm\n REAL( 8 ), ALLOCATABLE :: BLKDENS( : ) ! Cell air density, kg/m^3\n REAL, ALLOCATABLE :: BLKSVOL( : ) ! Cell air specific volume, m^3/kg\n\n INTEGER :: NJPHOT ! Number of J-values set in PHOT\n REAL( 8 ), ALLOCATABLE :: RJBLK( :,: ) ! J-values for each cell in block\n\n LOGICAL :: CALL_DEG = .FALSE. ! SWITCH for calling DEGRADE routine\n \n REAL( 8 ), ALLOCATABLE :: BLKSEAWATER( : ) ! fractional area of OPEN+SURF \n \n LOGICAL :: PRINT_CELL\n INTEGER :: ROS3_LOG\n\n CONTAINS\n FUNCTION CELLVAR_ALLOC() RESULT ( SUCCESS )\n\n USE UTILIO_DEFN\n\n LOGICAL :: SUCCESS\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n INTEGER :: ALST\n CHARACTER( 96 ) :: XMSG = ' '\n\nC This function is expected to be called only once - at startup\n\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n SUCCESS = .TRUE.\n\n ALLOCATE ( CCOL( MXCELLS ), STAT = ALST )\n IF ( ALST .NE. 0 ) THEN\n XMSG = '*** CCOL Memory allocation failed'\n CALL M3WARN ( 'CELLVAR_ALLOC', 0, 0, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\n CCOL = 0\n\n ALLOCATE ( CROW( MXCELLS ), STAT = ALST )\n IF ( ALST .NE. 0 ) THEN\n XMSG = '*** CROW Memory allocation failed'\n CALL M3WARN ( 'CELLVAR_ALLOC', 0, 0, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\n CROW = 0\n\n ALLOCATE ( CLEV( MXCELLS ), STAT = ALST )\n IF ( ALST .NE. 0 ) THEN\n XMSG = '*** CLEV Memory allocation failed'\n CALL M3WARN ( 'CELLVAR_ALLOC', 0, 0, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\n CLEV = 0\n\n ALLOCATE ( BLKCNO( MXBLKS ), STAT = ALST )\n IF ( ALST .NE. 0 ) THEN\n XMSG = '*** BLKCNO Memory allocation failed'\n CALL M3WARN ( 'CELLVAR_ALLOC', 0, 0, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n \n BLKCNO = 0\n\n ALLOCATE ( BLKLEN( MXBLKS ), STAT = ALST )\n IF ( ALST .NE. 0 ) THEN\n XMSG = '*** BLKLEN Memory allocation failed'\n CALL M3WARN ( 'CELLVAR_ALLOC', 0, 0, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\n BLKLEN = 0\n\n ALLOCATE ( NORDCELL( MXCELLS ), STAT = ALST )\n IF ( ALST .NE. 0 ) THEN\n XMSG = '*** NORDCELL Memory allocation failed'\n CALL M3WARN ( 'CELLVAR_ALLOC', 0, 0, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\n NORDCELL = 0\n\n ALLOCATE ( ERRMX2( MXCELLS ), STAT = ALST )\n IF ( ALST .NE. 0 ) THEN\n XMSG = '*** ERRMX2 Memory allocation failed'\n CALL M3WARN ( 'CELLVAR_ALLOC', 0, 0, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\n ERRMX2 = 0\n\n ELSE ! called more than once\n\n XMSG = 'Horizontal domain dependent variables already allocated'\n CALL M3WARN ( 'CELLVAR_ALLOC', 0, 0, XMSG )\n SUCCESS = .FALSE.; RETURN\n\n END IF ! FIRSTIME\n\n RETURN\n END FUNCTION CELLVAR_ALLOC\n\n END MODULE RBDATA\n" }, { "path": "CCTM/src/gas/ros3/rbdecomp.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/CCTM/src/gas/ros3/rbdecomp.F,v 1.3 2011/10/21 16:11:10 yoj Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\n SUBROUTINE RBDECOMP( NCSP )\n\nC***********************************************************************\nC\nC Function: Decompose the matrix [A] into lower- and upper-\nC triangular form to facilitate solution of the set of \nC linear simultaneous equations of the form [A]{x}={b}.\nC\nC Preconditions: None\nC \nC Key Subroutines/Functions Called: None\nC\nC Revision History: Prototype created by Jerry Gipson, August, 2004.\nC Based on the SMVGEAR code originally developed by \nC M. Jacobson, (Atm. Env., Vol 28, No 2, 1994).\nC\nC 14 Jul 14 B.Hutzell: added intent declaration to arguments\nC***********************************************************************\n\n USE RBDATA ! ROS3 solver data\n\n IMPLICIT NONE\n \nC..Includes:\n INTEGER, INTENT( IN ) :: NCSP ! Index of chem mech to use\n ! 1=gas/day, 2=gas/night\n\nC..Arguments: None\n\nC..Parameters: None\n\nC..External Functions: None\n\nC..Local Variables:\n INTEGER IAR ! Pointer to diagonal terms\n INTEGER IC ! Loop index for ops in decomp loop 1\n INTEGER IDLO ! Start index for decomp loop 1\n INTEGER IDHI ! End index for decomp loop 1\n INTEGER IJ0 ! Pointer to ij term 1 in decomp loop 1\n INTEGER IJ1 ! Pointer to ij term 2 in decomp loop 1\n INTEGER IJA ! Pointer to ij term 1 in decomp loop 2\n INTEGER IJB ! Pointer to ij term 2 in decomp loop 2\n INTEGER IK0 ! Pointer to ik term 1 in decomp loop 1\n INTEGER IK1 ! Pointer to ik term 2 in decomp loop 1\n INTEGER J ! Loop index for number of species\n INTEGER JC ! Loop index for ops in decomp loop 2\n INTEGER JHI1 ! End index for 2-term decomp loop 2\n INTEGER JHI2 ! End index for 1-term decomp loop 2\n INTEGER JLO1 ! Start index for 2-term decomp loop 2\n INTEGER JLO2 ! Start index for 1-term decomp loop 2\n INTEGER KJ0 ! Pointer to kj term 1 in decomp loop 1\n INTEGER KJ1 ! Pointer to kj term 2 in decomp loop 1\n INTEGER NCELL ! Loop index for number of cells \n \nc*********************************************************************** \n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc First loop of L-U decomposition \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n JHI2 = JZLO( NCSP )\n DO 100 J = 1, ISCHAN\n IDLO = IDEC1LO( J,NCSP )\n IDHI = IDEC1HI( J,NCSP )\n DO IC = IDLO, IDHI\n IJ0 = IJDECA( IC )\n IJ1 = IJDECB( IC )\n IK0 = IKDECA( IC )\n IK1 = IKDECB( IC )\n KJ0 = KJDECA( IC )\n KJ1 = KJDECB( IC )\n DO NCELL = 1, NUMCELLS\n CC2( NCELL,IJ0 ) = CC2( NCELL,IJ0 )\n & - CC2( NCELL,IK0 ) * CC2( NCELL,KJ0 )\n CC2( NCELL,IJ1 ) = CC2( NCELL,IJ1 )\n & - CC2( NCELL,IK1 ) * CC2( NCELL,KJ1 )\n END DO\n END DO\n \nc...vdiag = 1 / current diagonal term of the decomposed matrix\n IAR = JARRAYPT( J, J, NCSP )\n DO NCELL = 1, NUMCELLS\n VDIAG( NCELL,J ) = 1.0D0 / CC2( NCELL,IAR )\n END DO\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Second loop of decompostion. The elements of L are divided by the\nc diagonal element, and the process is divided into parts to improve\nc vectorization.\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n JLO1 = JHI2 + 1\n JHI1 = JHI2 + JHIZ1( J, NCSP ) \n JLO2 = JHI1 + 1 \n JHI2 = JHI1 + JHIZ2( J, NCSP )\n \nc...do 2 terms at a time\n DO JC = JLO1, JHI1\n IJA = JZEROA( JC )\n IJB = JZEROB( JC )\n DO NCELL = 1, NUMCELLS\n CC2( NCELL,IJA ) = CC2( NCELL,IJA ) * VDIAG( NCELL,J ) \n CC2( NCELL,IJB ) = CC2( NCELL,IJB ) * VDIAG( NCELL,J ) \n END DO\n END DO\n \nc...do 1 term at a time \n DO JC = JLO2, JHI2 \n IJA = JZEROA( JC )\n DO NCELL = 1, NUMCELLS\n CC2( NCELL,IJA ) = CC2( NCELL,IJA ) * VDIAG( NCELL,J ) \n END DO\n END DO\n100 CONTINUE\n RETURN\n END\n" }, { "path": "CCTM/src/gas/ros3/rbdriver.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE CHEM( CONC, JDATE, JTIME, TSTEP )\n\nC**********************************************************************\nC\nC Function: To control gas phase chemistry calculations performed by\nC the vectorized Rosenbrock solver\nC\nC Preconditions: None\nC\nC Key Subroutines/Functions Called: RBINIT\nC RBSPARSE\nC CALCKS\nC RBSOLVER\nC FIND_DEGRADED\nC INIT_DEGRADE\nC FINAL_DEGRADE\nC\nC Revision History: Prototype created by Jerry Gipson, August, 2004\nC Based on the solver described by Sandu et al\nC ( Atm. Env., Vol. 31, No. 20, 1997 ) and included\nC in the Kinetic PreProcessor ( see for example \nC Sandu et al., At, Env., Vol. 37, 5097-5114, \nC 2003). This code also incorporates efficiency\nC concepts originally developed by M. Jacobson\nC for SMVGEAR (Atm. Env., Vol 28, No 2, 1994).\nC Adapted from Subroutine CHEM in CMAQ SMVGEAR\nC\nC 31 Jan 05 J.Young: dyn alloc - establish both horizontal\nC & vertical domain specifications in one module (GRID_CONF)\nC 29 Jul 05 WTH: Added IF blocks that call degrade \nC routines if MECHNAME contains 'TX' \nC substring.\nC 28 Jun 10 J.Young: convert for Namelist redesign\nC 29 Mar 11 S.Roselle: Replaced I/O API include files\nC with UTILIO_DEFN\nC 31 Aug 11 B.Hutzell revised method that determines calling\nC degrade routine\nC 29 Sep 11 D.Wong: incorporated twoway model implementation\nC 18 Jan 13 B.Hutzell: 1) added using heteorogeneous rate constants\nC by using function in AEROSOL_CHEMISTRY module,\nC 15 Jul 14 B.Hutzell: 1) replaced mechanism include files with \nC RXNS_DATA module, 2) replaced call to CALCLK with CALC_RCONST in \nC RXNS_FUNCTION module, 3) enabled reactions between all species \nC types by using unit conversion factors and 4) revised usage for \nC INIT_DEGRADE and FINAL_DEGRADE routines\nC 02 Dec 14 B.Hutzell 1) added terrestrial data to conduct surface\nC dependent reactions and 2) modified the call CALC_RCONST routine\nC 16 Sep 16 J.Young: update for inline procan (IRR)\nC 21 Mar 22 G . Sarwar: updated simple halogen chemistry \nC**********************************************************************\n\n USE RXNS_DATA\n USE RXNS_FUNCTION\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE RBDATA ! ROS3 solver data\n USE CGRID_SPCS ! CGRID mechanism species\n USE UTILIO_DEFN\n USE PHOT_MOD, Only: INIT_PHOT_SHARED, RJ ! photolysis rate, in-line module\n USE AEROSOL_CHEMISTRY\n! USE DEGRADE_SETUP_TOX, ONLY : NCELLS, N_REACT, RXTANT_MAP, \n USE DEGRADE_ROUTINES, ONLY : NCELLS, N_REACT, RXTANT_MAP, \n & ICELL_WRITE, WRITE_CELL, WRITE_BLOCK,\n & FIND_DEGRADED, INIT_DEGRADE_BLK, FINAL_DEGRADE_BLK\n USE PA_DEFN, Only: LIRR ! Process Anaylsis control and data variable\n USE PA_IRR_CLT\n USE CENTRALIZED_IO_MODULE, ONLY : INTERPOLATE_VAR, OCEAN, SZONE\n#ifdef sens\n USE DDM3D_CHEM\n Use DDM3D_DEFN, Only: DATENUM, STARTDATE, IPT, IDATE, HIGH, NP, NPMAX, CKTIME\n#endif\n \n IMPLICIT NONE \n\nC..Includes:\n\n INCLUDE SUBST_FILES_ID ! CMAQ files\n INCLUDE SUBST_CONST ! CMAQ constants\n \nC..Arguments:\n\n REAL, POINTER :: CONC( :,:,:,: ) ! Concentrations\n\n INTEGER JDATE ! Current date (YYYYDDD)\n INTEGER JTIME ! Current time (HHMMSS)\n INTEGER TSTEP( 3 ) ! Time step vector (HHMMSS)\n\nC..Parameters:\n\n INTEGER, PARAMETER :: IZERO = 0 ! Integer zero\n\n REAL, PARAMETER :: CONCMIN = 1.0E-30 ! Minimum conc\n REAL, PARAMETER :: CONCOFM = 1.0E+06 ! conc. of M = 1E+06 ppm\n REAL, PARAMETER :: PA2ATM = 1.0 / STDATMPA ! Pascal to atm conv fac\n REAL, PARAMETER :: MAOMV = MWAIR / MWWAT ! Mol Wt of air over Mol Wt of water\n REAL, PARAMETER :: QV_TO_PPM = CONCOFM * MAOMV ! factor to convert water wapor into ppm\nC..External Functions:\n\nC..Local Variables:\n\n LOGICAL, SAVE :: LFIRST = .TRUE. ! Flag for first call to this subroutine\n LOGICAL, SAVE :: FIRSTCALL = .TRUE. ! Another Flag for first call\n LOGICAL, SAVE :: LIRRBLK ! Flag for IRR to be done for block\n\n INTEGER, SAVE :: NOXYZ ! Total number of grid cells\n\n REAL, SAVE :: AIRFC ! Factor to convert gms air to ppm\n\n REAL( 8 ) :: CHEMSTEP ! Chem integration interval (min)\n REAL( 8 ) :: VALLOW ! Value holder for sort routine\n\n CHARACTER( 16 ) :: PNAME = 'RBDRIVER' ! Procedure name\n CHARACTER( 16 ) :: VNAME ! Name of I/O API data variable\n CHARACTER( 144 ) :: MSG ! Message text\n \n INTEGER C, R, L, S ! Loop indices\n INTEGER ALLOCSTAT ! Allocate status code\n INTEGER OFFSET ! Starting cell number of a block\n INTEGER NCSP ! Mech no: 1=gas/day 2=gas/night\n INTEGER BLK ! Loop index for block of cells\n INTEGER CELLNUM ! Cell number \n INTEGER COL ! Column index\n INTEGER IPAR ! Pointer for cell sort routine\n INTEGER IRVAL ! Pointer for cell sort routine\n INTEGER IRXN ! Reaction number\n INTEGER ISP ! Species index\n INTEGER ISPOLD ! Species number in original order\n INTEGER ISPNEW ! Species number in new sorted order \n INTEGER ITMSTEP ! Chemistry integration interval (sec) \n INTEGER JPAR ! Pointer for cell sort routine\n INTEGER JREORD ! Index holder for sort routine\n INTEGER LEV ! Layer index\n INTEGER LVAL ! Pointer for cell sort routine\n INTEGER MIDDATE ! Date at time step midpoint\n INTEGER MIDTIME ! Time at time step midpoint\n INTEGER NCELL ! Index for number of cells\n INTEGER NIRRCLS ! No. of cells in block for IRR\n INTEGER NPH ! Index for number of phot. rxns in PHOT\n INTEGER NRX ! Index for number of reactions\n INTEGER ROW ! Row index\n INTEGER SPC ! Species loop index\n INTEGER VAR ! Variable number on I/O API file\n \n INTEGER NUMB_CELLS\n\n INTEGER, ALLOCATABLE, SAVE :: IRRCELL( : ) ! Cell No. of an IRR cell\n \n REAL, ALLOCATABLE, SAVE :: SEAICE ( :, : ) ! fractional seaice cover, [-] \n\n! REAL, ALLOCATABLE, SAVE :: DENSA_J( :, :, : ) ! Cell density (Kg/m**3)\n REAL, ALLOCATABLE, SAVE :: DENS ( :, :, : ) ! Cell density (Kg/m**3)\n REAL, ALLOCATABLE, SAVE :: PRES ( :, :, : ) ! Cell pressure (Pa)\n REAL, ALLOCATABLE, SAVE :: QV ( :, :, : ) ! Cell water vapor (Kg/Kg air)\n REAL, ALLOCATABLE, SAVE :: TA ( :, :, : ) ! Cell temperature (K)\n\n REAL, ALLOCATABLE, SAVE :: SEAWATER_ZONE ( :,: ) ! fractional area of OPEN+SURF \n\n\n REAL( 8 ), ALLOCATABLE, SAVE :: BLKHET( :, : )\n#ifdef rbstats\n\n CHARACTER( 16 ), SAVE :: CTM_RBSTATS_1 = 'CTM_RBSTATS_1' \n CHARACTER( 16 ), ALLOCATABLE, SAVE :: VSTATS( : ) !\n\n INTEGER, SAVE :: WSTEP = 0 \n INTEGER, ALLOCATABLE, SAVE :: STAT_SUM( :,:,:,: )\n INTEGER EDATE, ETIME\n\n REAL ALLOCATABLE, SAVE :: STATOUT( :, :, : )\n\n#endif\n\n INTERFACE\n SUBROUTINE RBSOLVER ( JDATE, JTIME, CHEMSTEP, NCSP,\n & LIRRFLAG, NIRRCLS, IRRCELL )\n INTEGER, INTENT( IN ) :: JDATE, JTIME\n REAL( 8 ), INTENT( IN ) :: CHEMSTEP\n INTEGER, INTENT( IN ) :: NCSP\n LOGICAL, INTENT( IN ) :: LIRRFLAG\n INTEGER, INTENT( INOUT ) :: NIRRCLS\n INTEGER, INTENT( IN ) :: IRRCELL( : )\n END SUBROUTINE RBSOLVER\n SUBROUTINE HETCHEM_UPDATE_AERO( CGRID )\n REAL, POINTER :: CGRID( :,:,:,: ) ! species concentration in cell\n END SUBROUTINE HETCHEM_UPDATE_AERO \n END INTERFACE\n\nC**********************************************************************\n\n\n#ifdef isam\n MSG = 'ERROR: Rosenbrock Chemistry Solver does not perform source apportionment.'\n WRITE(LOGDEV,'(A)')TRIM( MSG )\n MSG = 'Must use the EBI solver for the chemical mechanism'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n#endif\n\n\n IF ( NUMB_MECH_SPC .EQ. 0 ) THEN\n CALL M3MESG( '*** WARNING: Gas-Chemistry processing bypassed!' )\n RETURN\n END IF\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc On first call, call routines to set-up for Gear solver and \nc set-up to do emissions here if that option is invoked\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( LFIRST ) THEN\n LFIRST = .FALSE.\n ROS3_LOG = LOGDEV\n! GASLOG = LOGDEV\n\n IF ( .NOT. CELLVAR_ALLOC() ) THEN\n MSG = 'Failure allocating variables dependent on horizontal extents'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n END IF\n\n CALL RBINIT\n CALL RBSPARSE( )\n CALL RESET_SPECIES_POINTERS( IOLD2NEW )\n\n NOXYZ = NCOLS * NROWS * NLAYS\n\nC...Initialize and report data\n\n WRITE( LOGDEV, 92020 ) NOXYZ, BLKSIZE, NBLKS, BLKLEN( 1 ), BLKLEN( NBLKS )\n\n WRITE( LOGDEV, 92040 ) GLBL_RTOL, GLBL_ATOL\n\nC.. Get fractional seawater coverage from the OCEAN file.\n ALLOCATE( SEAWATER_ZONE( NCOLS, NROWS ) )\n \n DO ROW = 1, NROWS\n DO COL = 1, NCOLS \n SEAWATER_ZONE( COL,ROW ) = OCEAN( COL,ROW ) + SZONE( COL,ROW ) \n END DO\n END DO\n\n#ifdef mpas\n STARTCOLCO = 1\n ENDCOLCO = NCOLS\n STARTROWCO = 1\n ENDROWCO = 1\n#else\n STARTCOLCO = COLSX_PE( 1, MYPE + 1 )\n ENDCOLCO = COLSX_PE( 2, MYPE + 1 )\n STARTROWCO = ROWSX_PE( 1, MYPE + 1 )\n ENDROWCO = ROWSX_PE( 2, MYPE + 1 )\n#endif\n\n ALLOCATE( DENS( NCOLS, NROWS, NLAYS ), PRES( NCOLS, NROWS, NLAYS ),\n & QV ( NCOLS, NROWS, NLAYS ), TA ( NCOLS, NROWS, NLAYS ),\n & SEAICE( NCOLS, NROWS ) )\n\n ALLOCATE( IRRCELL( BLKSIZE ) )\n IRRCELL = 0\n\nc..Open file for solver stats if requested\n#ifdef rbstats\n ALLOCATE( VSTATS( 3 ) )\n VSTATS( 1 ) = 'N_STRT_FAILS'\n VSTATS( 2 ) = 'N_FAILS'\n VSTATS( 3 ) = 'N_STEPS'\n\n IF ( MYPE .EQ. 0 ) THEN\n\n IF ( .NOT. OPEN3( CTM_CONC_1, FSREAD3, PNAME ) ) THEN\n MSG = 'Could not open ' // CTM_CONC_1 // ' file for readonly'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT2 )\n END IF\n\n IF ( .NOT. DESC3( CTM_CONC_1 ) ) THEN\n MSG = 'Could not get description of concentration file '\n & // CTM_CONC_1\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT2 )\n END IF\n\n EDATE = JDATE\n ETIME = JTIME\n CALL NEXTIME( EDATE, ETIME, TSTEP( 1 ) )\n\n SDATE3D = EDATE\n STIME3D = ETIME\n NVARS3D = 3\n NCOLS3D = GL_NCOLS\n NROWS3D = GL_NROWS\n NLAYS3D = NLAYS\n VNAME3D( 1 ) = 'N_STRT_FAILS'\n VNAME3D( 2 ) = 'N_FAILS'\n VNAME3D( 3 ) = 'N_STEPS'\n VDESC3D( 1 ) = 'Number of fails at start'\n VDESC3D( 2 ) = 'Number of step fails'\n VDESC3D( 3 ) = 'Number of steps'\n UNITS3D( 1 ) = ''\n UNITS3D( 2 ) = ''\n UNITS3D( 3 ) = ''\n VTYPE3D( 1 ) = M3REAL\n VTYPE3D( 2 ) = M3REAL\n VTYPE3D( 3 ) = M3REAL\n IF ( .NOT. OPEN3( CTM_RBSTATS_1, FSNEW3, PNAME ) ) THEN\n MSG = 'Could not create '// TRIM( CTM_RBSTATS_1 ) // ' file'\n CALL M3EXIT( PNAME, SDATE3D, STIME3D, MSG, XSTAT2 )\n END IF\n\n END IF\n\n ALLOCATE( STAT_SUM( NCOLS, NROWS, NLAYS, 3 ) )\n ALLOCATE( STATOUT( NCOLS, NROWS, NLAYS ) )\n\n\n STAT_SUM = 0\n\n#endif\n\nC..Initialize shared photolysis data\n CALL INIT_PHOT_SHARED()\n\n ALLOCATE( BLKHET( BLKSIZE, NHETERO ) )\n\nC Determine whether DEGRADE rountines are needed.\n\n CALL FIND_DEGRADED( JDATE, JTIME, CALL_DEG )\n IF( CALL_DEG ) THEN\n WRITE( LOGDEV, * ) 'DEGRADE ROUTINES USED'\n WRITE( LOGDEV, * ) 'Mechanism contains degraded species'\n#ifdef verbose_gas \n ALLOCATE( WRITE_CELLL( BLKSIZE ) )\n ELSE\n WRITE( LOGDEV, * ) 'DEGRADE ROUTINES not USED'\n WRITE( LOGDEV, * ) 'Mechanism contains NO degraded species'\n#endif \n ENDIF\n\nC set up degradation array\n\n\n ALLOCATE( Y_DEGRADE( BLKSIZE, NSPCSD ) )\n\n#ifdef sens\n CALL INIT_DDM3D_CHEM()\n\nC For higher order sensitivities\n IF ( HIGH ) THEN\n DO IRXN = 1, NRXNS\n IF( NREACT( IRXN ) .LE. 1 ) THEN\n ORDER1( IRXN ) = .TRUE.\n ELSE\n ORDER1( IRXN ) = .FALSE.\n END IF\n END DO\n END IF\n#endif\n END IF ! First call\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC Start of integration driver after first call\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n NIRRCLS = 0\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC Set date and time to center of time step, get necessary physical \nC data, and get photolysis rates\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n MIDDATE = JDATE\n MIDTIME = JTIME\n ITMSTEP = TIME2SEC( TSTEP( 2 ) )\n CHEMSTEP = REAL( ITMSTEP, 8 ) / 60.0D0\n CALL NEXTIME( MIDDATE, MIDTIME, SEC2TIME( ITMSTEP / 2 ) )\n\nC.. Get fractional seaice coverage from the METCRO2D file.\n\n CALL INTERPOLATE_VAR ('SEAICE', MIDDATE, MIDTIME, SEAICE)\n\nC.. Get ambient temperature in K\n\n CALL INTERPOLATE_VAR ('TA', MIDDATE, MIDTIME, TA)\n\nC.. Get specific humidity in Kg H2O / Kg air\n CALL INTERPOLATE_VAR ('QV', MIDDATE, MIDTIME, QV)\n\n! Get ambient MASS DENSITY in Kg/m^3\n CALL INTERPOLATE_VAR ('DENS', MIDDATE, MIDTIME, DENS)\n\nC.. Get pressure in Pascals\n CALL INTERPOLATE_VAR ('PRES', MIDDATE, MIDTIME, PRES)\n\nC.. Get Heterogeneous Rates using Aerosol Surface Area. Also Store\nC a snapshot of the aerosol surface area so that it can be\nC appropriately updated after the solver finds a solution.\n\n CALL HETCHEM_RATES( TA, PRES, QV, CONC, DENS )\n\n#ifdef sens\nC Set the date and hour counters used in sensitivity calls\n DATENUM = 1 + JDATE - STARTDATE \n\nC For reaction rate sensitivities\n DO NP = 1, NPMAX\n IF ( IPT( NP ) .EQ. 5 ) THEN\n CALL CKTIME( JDATE,JTIME,NP,RXNFLAG(NP) ) ! Rxnflag set to true if ipt=5 and time, date within bounds\n IF ( IDATE( NP, DATENUM ) .NE. 1 ) RXNFLAG( NP ) = .FALSE.\n ELSE\n RXNFLAG( NP ) = .FALSE.\n END IF\n END DO\n#endif\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Set flag for reordering of cells and put cells in sequential \nc order initially\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n LORDERING = .TRUE.\n IF ( .NOT. LREORDER .OR. NBLKS .EQ. 1 ) LORDERING = .FALSE.\n DO NCELL = 1, NOXYZ\n NORDCELL( NCELL ) = NCELL\n END DO\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC Top of loop over blocks. This loop will be done once if\nC no reordering, twice if reordering is required\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n100 CONTINUE\n\n ERRMX2 = 0.0D0\n\n DO 500 BLK = 1, NBLKS\n BLKID = BLK\n NUMCELLS = BLKLEN( BLK )\n OFFSET = BLKCNO( BLK )\n IF ( .NOT. LORDERING .AND. LIRR ) THEN\n LIRRBLK = .FALSE.\n CALL PA_IRR_CKBLK ( NUMCELLS, LIRRBLK, OFFSET,\n & CCOL, CROW, CLEV, NORDCELL, NIRRCLS,\n & IRRCELL )\n END IF\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC Put the grid cell physical data in the block arrays, converting\nC pressure to atmospheres, water vapor to ppm, emissions to ppm/min,\nC assigning seawater values \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n DO NCELL = 1, NUMCELLS\n CELLNUM = NORDCELL( OFFSET + NCELL )\n COL = CCOL( CELLNUM )\n ROW = CROW( CELLNUM )\n LEV = CLEV( CELLNUM )\n BLKTEMP( NCELL ) = REAL( TA( COL,ROW,LEV ), 8 )\n BLKDENS( NCELL ) = REAL( DENS( COL,ROW,LEV ), 8 )\n BLKSVOL( NCELL ) = 1.0 / DENS( COL,ROW,LEV )\n BLKPRES( NCELL ) = REAL( PA2ATM * PRES( COL, ROW, LEV ), 8 )\n BLKCH2O( NCELL ) = REAL( MAX( QV_TO_PPM * QV( COL,ROW,LEV ), 0.0 ), 8)\n BLKSEAWATER (NCELL) = MAX ( 0.0, ( SEAWATER_ZONE( COL,ROW ) - SEAICE (COL,ROW) ) ) \n END DO\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC Put the grid cell concentrations in the block arrays\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n DO ISP = 1, ISCHANG( NCS )\n SPC = CGRID_INDEX( ISP )\n! SPC = ISP \n ISPNEW = IOLD2NEW( ISP,NCS )\n DO NCELL = 1, NUMCELLS\n CELLNUM = NORDCELL( OFFSET + NCELL )\n COL = CCOL( CELLNUM )\n ROW = CROW( CELLNUM )\n LEV = CLEV( CELLNUM )\n IF( CONVERT_CONC( ISP ) )THEN \n Y( NCELL,ISPNEW ) = REAL( MAX( FORWARD_CONV( ISP ) * BLKSVOL( NCELL )\n & * CONC( COL,ROW,LEV,SPC ), CONCMIN), 8 )\n ELSE\n Y( NCELL,ISPNEW ) = REAL( MAX( CONC( COL,ROW,LEV,SPC ), CONCMIN), 8 )\n END IF\n END DO \n END DO\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC Get photolytic, heteorogeneous and thermal rate constants & call solver\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n LSUNLIGHT = .FALSE.\n\n DO NCELL = 1, NUMCELLS\n CELLNUM = NORDCELL( OFFSET + NCELL )\n COL = CCOL( CELLNUM ) ! wrong order\n ROW = CROW( CELLNUM )\n LEV = CLEV( CELLNUM )\n DO NPH = 1, NHETERO\n BLKHET( NCELL, NPH ) = KHETERO( NPH, COL, ROW, LEV )\n END DO\n DO NPH = 1, NPHOTAB\n RJBLK( NCELL,NPH ) = REAL( RJ( COL,ROW,LEV,NPH ), 8 )\n IF ( RJBLK( NCELL, NPH ) .GT. 0.0D0 ) LSUNLIGHT = .TRUE.\n END DO \n END DO\n \n CALL CALC_RCONST( BLKTEMP, BLKPRES, BLKCH2O, RJBLK, BLKHET, LSUNLIGHT, BLKSEAWATER, RKI, NUMCELLS )\n\n IF ( LSUNLIGHT ) THEN\n NCSP = NCS\n ELSE\n NCSP = NCS + 1\n END IF\n\nC update cell concentrations for degradation routines\n\n IF ( CALL_DEG ) THEN\n\n Y_DEGRADE = 0.0\n DO ISP = 1, NSPCSD\n DO NCELL = 1, NUMCELLS\n CELLNUM = NORDCELL( OFFSET + NCELL )\n COL = CCOL( CELLNUM )\n ROW = CROW( CELLNUM )\n LEV = CLEV( CELLNUM )\n Y_DEGRADE( NCELL,ISP ) = REAL(MAX( CONC( COL,ROW,LEV,ISP ), CONCMIN), 8 )\n END DO\n END DO\n\n! Use FPP flag to check results from species degrade routines\n#ifdef verbose_gas\n WRITE_BLOCK = .FALSE.\n ICELL_WRITE = 1\n DO NCELL = 1, NUMCELLS\n CELLNUM = NORDCELL( OFFSET + NCELL )\n COL = CCOL( CELLNUM )\n ROW = CROW( CELLNUM )\n LEV = CLEV( CELLNUM )\n IF( LEV .EQ. 1 .AND. ROW .EQ. 1 .AND. COL .EQ. 1 )THEN\n WRITE_BLOCK = .TRUE.\n ICELL_WRITE = NCELL\n WRITE_CELL( NCELL ) = .TRUE.\n ELSE\n WRITE_CELL( NCELL ) = .FALSE.\n END IF\n END DO\n#endif\n\nC..initialize degradation routines\n NCELLS = NUMCELLS \n CALL INIT_DEGRADE_BLK( Y_DEGRADE, BLKTEMP, BLKDENS, BLKPRES, BLKCH2O, RJBLK, \n & JDATE, JTIME )\n\n END IF\n\n#ifdef rbstats\n\n NSTEPS = 0\n NFAILS = 0\n N_BAD_STARTS = 0\n\n#endif\n\n CALL RBSOLVER( JDATE, JTIME, CHEMSTEP, NCSP,\n & LIRRBLK, NIRRCLS, IRRCELL ) \n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC If not ordering cells, save performance statistics and\nC store updated concentrations.\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( .NOT. LORDERING ) THEN\n\nC..Update concentrations\n DO ISP = 1, ISCHANG( NCS )\n ISPOLD = INEW2OLD( ISP,NCS )\n SPC = CGRID_INDEX( ISPOLD )\n DO NCELL = 1, NUMCELLS\n CELLNUM = NORDCELL( OFFSET + NCELL )\n COL = CCOL( CELLNUM )\n ROW = CROW( CELLNUM )\n LEV = CLEV( CELLNUM )\n IF( CONVERT_CONC( ISPOLD ) )THEN \n CONC( COL,ROW,LEV,SPC ) = REAL( REVERSE_CONV( ISPOLD ) \n & * BLKDENS( NCELL ) * Y( NCELL,ISP ), 4)\n ELSE\n CONC( COL,ROW,LEV,SPC ) = REAL( Y( NCELL,ISP ), 4)\n END IF\n END DO\n END DO\n\n\n\n\n IF ( CALL_DEG ) THEN\nC Update CGRID based on the degradation routines\n CALL FINAL_DEGRADE_BLK( Y_DEGRADE )\n UPDATE_DEGRADED: DO ISP = 1, N_REACT\n S = RXTANT_MAP( ISP )\n IF( S .LE. 0 )CYCLE UPDATE_DEGRADED \n DO SPC = 1, NUMB_MECH_SPC\n IF( S .EQ. CGRID_INDEX( SPC ) )CYCLE UPDATE_DEGRADED\n END DO\n DO NCELL = 1, NUMCELLS\n CELLNUM = NORDCELL( OFFSET + NCELL )\n COL = CCOL( CELLNUM )\n ROW = CROW( CELLNUM )\n LEV = CLEV( CELLNUM )\n CONC( COL,ROW,LEV,S ) = REAL( Y_DEGRADE( NCELL,S ), 4)\n END DO\n END DO UPDATE_DEGRADED\n END IF !WTH\n\n#ifdef sens\n\n NUMB_CELLS = NUMCELLS\n \n DO NCELL = 1, NUMB_CELLS\n DO IRXN = 1, NRXNS\n SRK( IRXN ) = RKI( NCELL,IRXN )\n IF ( HIGH ) THEN\n IF ( NREACT( IRXN ) .LE. 1 ) THEN\n SRK2( IRXN ) = 0.0\n ELSE IF ( NREACT( IRXN ) .EQ. 2 ) THEN\n SRK2( IRXN ) = REAL( RKI( NCELL,IRXN ), 4 )\n ELSE IF ( NREACT( IRXN ) .EQ. 3 ) THEN\n SRK2( IRXN ) = REAL( RKI( NCELL,IRXN ),4 )\n ELSE\n SRK2( IRXN ) = 0.0\n END IF\n END IF\n END DO\n\n DO ISP = 1,NUMB_MECH_SPC\n! ISPOLD = INEW2OLD( ISP,NCS )\n! YCDDM( ISPOLD ) = YAVE(NCELL,ISP)\n YCDDM( ISP ) = YAVE(NCELL,ISP)\n END DO\n CELLNUM = NORDCELL( OFFSET + NCELL )\n COL = CCOL( CELLNUM )\n ROW = CROW( CELLNUM )\n LEV = CLEV( CELLNUM )\n\n! CALL SOLVE_DDM3D_CHEM( COL,ROW,LEV,CHEMSTEP )\n CALL SOLVE_DDM3D_CHEM( COL,ROW,LEV,CHEMSTEP,IOLD2NEW,INEW2OLD )\n END DO\n NUMCELLS = NUMB_CELLS\n#endif\n\n#ifdef rbstats\n\n DO NCELL = 1, NUMCELLS\n CELLNUM = NORDCELL( OFFSET + NCELL )\n COL = CCOL( CELLNUM )\n ROW = CROW( CELLNUM )\n LEV = CLEV( CELLNUM )\n STAT_SUM( COL,ROW,LEV,1 ) = STAT_SUM( COL,ROW,LEV,1 )\n & + N_BAD_STARTS\n STAT_SUM( COL,ROW,LEV,2 ) = STAT_SUM( COL,ROW,LEV,2 )\n & + NFAILS\n STAT_SUM( COL,ROW,LEV,3 ) = STAT_SUM( COL,ROW,LEV,3 )\n & + NSTEPS\n END DO\n\n#endif\n \n IF ( LIRRBLK ) CALL PA_IRR_BLKENDC ( OFFSET, CCOL, CROW, CLEV,\n & NORDCELL, NIRRCLS, IRRCELL )\n\n END IF\n\n500 CONTINUE\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC End of block loop; reorder cells if necessary and go back do the \nC block loop again. Taken from Jacobson 1994.\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( LORDERING ) THEN\n LORDERING = .FALSE. \n LVAL = NOXYZ / 2 + 1\n IRVAL = NOXYZ\n600 CONTINUE\n IF ( LVAL .GT. 1 ) THEN\n LVAL = LVAL - 1\n VALLOW = ERRMX2( LVAL )\n JREORD = NORDCELL( LVAL )\n ELSE\n VALLOW = ERRMX2( IRVAL )\n JREORD = NORDCELL( IRVAL )\n ERRMX2( IRVAL ) = ERRMX2( 1 )\n NORDCELL( IRVAL ) = NORDCELL( 1 )\n IRVAL = IRVAL - 1\n IF ( IRVAL.EQ.1 ) THEN\n ERRMX2( IRVAL ) = VALLOW\n NORDCELL( IRVAL ) = JREORD\n GO TO 100\n END IF\n END IF\n IPAR = LVAL\n JPAR = LVAL + LVAL\n650 CONTINUE\n IF ( JPAR .LE. IRVAL ) THEN\n IF ( JPAR .LT. IRVAL ) THEN\n IF ( ERRMX2( JPAR ) .LT. ERRMX2( JPAR + 1 ) ) JPAR = JPAR + 1\n END IF\n IF ( VALLOW .LT. ERRMX2( JPAR )) THEN\n ERRMX2( IPAR ) = ERRMX2( JPAR )\n NORDCELL( IPAR ) = NORDCELL( JPAR )\n IPAR = JPAR\n JPAR = JPAR + JPAR\n ELSE\n JPAR = IRVAL + 1\n END IF\n GO TO 650\n END IF\n ERRMX2( IPAR ) = VALLOW\n NORDCELL( IPAR ) = JREORD\n GO TO 600\n END IF\n \n !Update Aerosol Surface Area\n CALL HETCHEM_UPDATE_AERO( CONC )\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC Output performance statistics if required and return\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n#ifdef rbstats\n\n WSTEP = WSTEP + TIME2SEC( TSTEP( 2 ) )\n EDATE = JDATE\n ETIME = JTIME\n CALL NEXTIME( EDATE, ETIME, TSTEP( 2 ) )\n IF ( WSTEP .GE. TIME2SEC( TSTEP( 1 ) ) ) THEN\n\n WSTEP = 0\n\n DO S = 1, 3\n DO R = 1, NROWS\n DO C = 1, NCOLS\n DO L = 1, NLAYS\n STATOUT( C, R, L ) = INT( STAT_SUM( C,R,L,S )\n & + 0.00001 )\n END DO\n END DO\n END DO\n\n IF ( .NOT. WRITE3( CTM_RBSTATS_1, VSTATS( S ),\n & EDATE, ETIME, STATOUT ) ) THEN\n XMSG = 'Could not write ' // CTM_RBSTATS_1 // ' file'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF \n\n END DO\n\n STAT_SUM = 0.0\n\n END IF\n \n#endif\n\n\n IF( FIRSTCALL )FIRSTCALL = .FALSE.\n \n RETURN\n\nC*********************** FORMAT STATEMENTS ****************************\n92020 FORMAT( / 10X, 'Chemistry Solver Blocking Parameters ... ',\n & / 10X, 'Domain Size (number of cells): ', I10\n & / 10X, 'Dimensioning Block Size (number of cells): ', I10\n & / 10X, 'Number of Blocks: ', I10\n & / 10X, 'Size of General Blocks: ', I10\n & / 10X, 'Size of Last Block: ', I10 )\n92040 FORMAT( / 10X, 'Rosenbrock Chemistry Solver Error Control ',\n & 'Parameters ...',\n & / 10X, 'RTOL : ', 1PE12.3,\n & / 10X, 'ATOL : ', 1PE12.3, ' ppm' )\n\n END\n\n" }, { "path": "CCTM/src/gas/ros3/rbfeval.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/CCTM/src/gas/ros3/rbfeval.F,v 1.3 2011/10/21 16:11:10 yoj Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\n SUBROUTINE RBFEVAL( NCSP, YIN, YDOT )\n\nC***********************************************************************\nC\nC Function: Compute YDOT = dc/dt for each species. YDOT is the\nC net rate of change in species concentrations resulting\nC from chemical production minus chemical loss.\nC\nC Preconditions: None\nC \nC Key Subroutines/Functions Called: None\nC\nC Revision History: Prototype created by Jerry Gipson, August, 2004\nC Based on the SMVGEAR code originally developed by \nC M. Jacobson, (Atm. Env., Vol 28, No 2, 1994).\nC 31 Jan 05 J.Young: get BLKSIZE from dyn alloc horizontal\nC & vertical domain specifications module (GRID_CONF)\nC 28 Jun 10 J.Young: remove unnecessary modules and includes\nC 15 Jul 14 B.Hutzell: replaced mechanism include files with \nC RXNS_DATA module, replaced call to CALC_SPECIAL with \nC SPECIAL_RATES in RXNS_FUNCTION module and added intent\nC declarations to arguments\nC***********************************************************************\n\n USE RXNS_DATA\n USE RXNS_FUNCTION\n USE RBDATA ! ROS3 solver data\n\n IMPLICIT NONE\n\nC..Includes:\n\nC..Arguments:\n INTEGER, INTENT( IN ) :: NCSP ! Index of mech to use: 1=gas/day, 2=gas/night\n REAL( 8 ), INTENT( INOUT ) :: YIN( :, : ) ! Species concs, ppm\n REAL( 8 ), INTENT( OUT ) :: YDOT( :, : ) ! Species rates of change, ppm/min\n\nC..Parameters: None\n\nC..External FUNCTIONS: None\n\nC..Local Variables:\n INTEGER ISP ! Loop index for species\n INTEGER ISP1, ISP2, ISP3 ! Pointers to species numbers\n INTEGER NCELL ! Loop index for number of cells\n INTEGER NP ! Loop index for number of products\n INTEGER NR ! Loop index for number of reactants\n INTEGER NRK ! Reaction number\n INTEGER NRX ! Loop index for number of reactions\n\n REAL( 8 ) :: RXRAT( BLKSIZE,NRXNS ) ! Computed rxn rates\n\nC*********************************************************************** \n\n IF ( NSPECIAL_RXN .GT. 0 ) THEN ! calculate special rate coefficients\n CALL SPECIAL_RATES( NUMCELLS, YIN, BLKTEMP, BLKDENS, RKI )\n END IF\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Initialize dc/dt\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n DO ISP = 1, ISCHAN\n DO NCELL = 1, NUMCELLS\n YDOT( NCELL,ISP ) = 0.0D0\n END DO\n END DO\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Loop over reactions to calculate dc/dt\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n DO 100 NRX = 1, NUSERAT( NCSP )\n\n NRK = NKUSERAT( NRX,NCSP )\n\nc..Calculate reaction rate\n IF ( NREACT( NRK ) .EQ. 1 ) THEN\n ISP1 = IRM2( NRK, 1, NCS )\n DO NCELL = 1, NUMCELLS\n RXRAT( NCELL,NRK ) = RKI( NCELL,NRK )\n & * YIN( NCELL,ISP1 )\n END DO\n ELSE IF ( NREACT( NRK ) .EQ. 2 ) THEN\n ISP1 = IRM2( NRK,1,NCS )\n ISP2 = IRM2( NRK,2,NCS )\n DO NCELL = 1, NUMCELLS\n RXRAT( NCELL,NRK ) = RKI( NCELL,NRK )\n & * YIN( NCELL,ISP1 )\n & * YIN( NCELL,ISP2 )\n END DO\n ELSE IF ( NREACT( NRK ) .EQ. 3 ) THEN\n ISP1 = IRM2( NRK,1,NCS )\n ISP2 = IRM2( NRK,2,NCS )\n ISP3 = IRM2( NRK,3,NCS )\n DO NCELL = 1, NUMCELLS\n RXRAT( NCELL,NRK ) = RKI( NCELL,NRK )\n & * YIN( NCELL,ISP1 )\n & * YIN( NCELL,ISP2 )\n & * YIN( NCELL,ISP3 )\n END DO \n ELSE IF ( NREACT( NRK ) .EQ. 0 ) THEN\n DO NCELL = 1, NUMCELLS\n RXRAT( NCELL,NRK ) = RKI( NCELL,NRK )\n END DO\n END IF\n \nc..Subtract loss terms from dc/dt for this reaction \n DO NR = 1, NREACT( NRK )\n ISP1 = IRM2( NRK,NR,NCS )\n DO NCELL = 1, NUMCELLS\n YDOT( NCELL,ISP1 ) = YDOT( NCELL,ISP1 )\n & - RXRAT( NCELL,NRK )\n END DO\n END DO\n \nc..Add production terms to dc/dt for this reaction\n DO NP = 1, NPRDCT( NRK )\n ISP1 = IRM2( NRK,NP+3,NCS )\n DO NCELL = 1, NUMCELLS\n YDOT( NCELL,ISP1 ) = YDOT( NCELL,ISP1 )\n & + SC( NRK,NP ) * RXRAT( NCELL,NRK )\n END DO\n END DO\n\n100 CONTINUE ! END LOOP OVER REACTIONS\n\n RETURN\n END\n\n" }, { "path": "CCTM/src/gas/ros3/rbinit.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/CCTM/src/gas/ros3/rbinit.F,v 1.4 2011/10/21 16:11:10 yoj Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\n SUBROUTINE RBINIT\nC***********************************************************************\nC\nC Function: To initialize species tolerances, allocate arrays, and \nC define grid structure\nC\nC Preconditions: None\nC\nC Return Values: None\nC\nC Key Subroutines/Functions CALLED: None\nC\nC Revision History: Prototype created by Jerry Gipson, August, 2004\nC 31 Jan 05 J.Young: dyn alloc - establish both horizontal\nC & vertical domain specifications in one module (GRID_CONF)\nC Get BLKSIZE from module GRID_CONF\nC 29 Jul 05 WTH: allocate variables used by degrade routines.\nC 28 Jun 10 J.Young: convert for Namelist redesign\nC 29 Mar 11 S.Roselle: Replaced I/O API include files\nC with UTILIO_DEFN\nC 15 Jul 14 B.Hutzell: 1) replaced mechanism include files with \nC RXNS_DATA module, 2) inserted call to function MAP_CHEMISTRY_SPECIES \nC RXNS_FUNCTION module, and 3) inserted do loop that calculates species\nC unit conversion factors based on species type\nC 21 Mar 22 G . Sarwar: changed BLKLAND to BLKSEAWATER\nC \nC***********************************************************************\n USE RXNS_DATA\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE RBDATA ! Rosenbrock solver data\n USE CGRID_SPCS ! CGRID mechanism species\n USE UTILIO_DEFN\n USE RXNS_FUNCTION\n\n IMPLICIT NONE\n\nC.....Includes:\n Include SUBST_CONST ! common constants\n\nC.....Arguments: NONE\n\nC.....Parameters:\n CHARACTER( 16 ), PARAMETER :: PNAME = 'RBINIT' ! Procedure name\n\nC.....External Functions:\n\nC.....Local Variables: \n CHARACTER( 132 ) :: XMSG ! Log error message\n CHARACTER( 80 ) :: VARDESC ! Description of environment variable \n\n INTEGER N ! Loop index\n\n INTEGER COL ! Column number index\n INTEGER IAVGSIZE ! Average number of cells per block\n INTEGER LEV ! Level number index\n INTEGER OFFSET ! Pointer for start cell number in a block\n INTEGER NBLK ! Block number index\n INTEGER NCOUNT ! Counter for number of cells for grid\n INTEGER NOXYZ ! Total number of cells for grid\n INTEGER ROW ! Row number index\n INTEGER STATUS ! Status code for functions\n\n REAL DEFTOL ! Default tolerance value\n\nC***********************************************************************\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc..Initialize vars & allocate arrays used in sparse matrix treatment\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n LREORDER = .TRUE.\n\n N_SPEC = NUMB_MECH_SPC\n N_RXNS = NRXNS ! loads RBDATA from RXCM.EXT\n\n MXRR = 3 * MXRCT\n MXRP = 3 * MXPRD\n\n MXCOUNT1 = NUMB_MECH_SPC * MAXGL3 * 3\n MXCOUNT2 = NUMB_MECH_SPC * MAXGL3 * 3\n\n ALLOCATE( NKUSERAT( NRXNS,NCS2 ),\n & NDERIVL ( NRXNS,NCS2 ),\n & NDERIVP ( NRXNS,NCS2 ), STAT = STATUS )\n IF ( STATUS .NE. 0 ) THEN\n XMSG = 'ERROR allocating NKUSERAT, NDERIVL or NDERIVP'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT2 )\n END IF\n\n ALLOCATE( IRM2( NRXNS,MXRCT+MXPRD,NCS2 ),\n & ICOEFF( NRXNS,MXRP,NCS2 ), STAT = STATUS )\n IF ( STATUS .NE. 0 ) THEN\n XMSG = 'ERROR allocating IRM2 or ICOEFF'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT2 )\n END IF\n\n ALLOCATE( JARRAYPT( NUMB_MECH_SPC,NUMB_MECH_SPC,NCS2 ), STAT = STATUS )\n IF ( STATUS .NE. 0 ) THEN\n XMSG = 'ERROR allocating JARRAYPT'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT2 )\n END IF\n\n ALLOCATE( JARRL( NRXNS,MXRR,NCS2 ),\n & JARRP( NRXNS,MXRP,NCS2 ),\n & JLIAL( NRXNS,MXRR,NCS2 ),\n & JPIAL( NRXNS,MXRP,NCS2 ), STAT = STATUS )\n IF ( STATUS .NE. 0 ) THEN\n XMSG = 'ERROR allocating JARRL, JARRP, JLIAL, or JPIAL'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT2 )\n END IF\n\n ALLOCATE( INEW2OLD( NUMB_MECH_SPC,NCS ),\n & IOLD2NEW( NUMB_MECH_SPC,NCS ), STAT = STATUS )\n IF ( STATUS .NE. 0 ) THEN\n XMSG = 'ERROR allocating INEW2OLD or IOLD2NEW'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT2 )\n END IF\n\n ALLOCATE( JZEROA( MXARRAY ),\n & JZEROB( MXARRAY ), STAT = STATUS )\n IF ( STATUS .NE. 0 ) THEN\n XMSG = 'ERROR allocating JZEROA or JZEROB'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT2 )\n END IF\n\n ALLOCATE( JZLO( NCS2 ),\n & IDEC1LO( NUMB_MECH_SPC,NCS2 ),\n & IDEC1HI( NUMB_MECH_SPC,NCS2 ), STAT = STATUS )\n IF ( STATUS .NE. 0 ) THEN\n XMSG = 'ERROR allocating JZLO, IDEC1LO or IDEC1HI'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT2 )\n END IF\n\n ALLOCATE( IJDECA( MXCOUNT2 ),\n & IJDECB( MXCOUNT2 ),\n & IKDECA( MXCOUNT2 ),\n & IKDECB( MXCOUNT2 ),\n & KJDECA( MXCOUNT2 ),\n & KJDECB( MXCOUNT2 ), STAT = STATUS )\n IF ( STATUS .NE. 0 ) THEN\n XMSG = 'ERROR allocating IJDECA, IJDECB, IKDECA, IKDECB, KJDECA, or KJDECB'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT2 )\n END IF\n\n ALLOCATE( JHIZ1( NUMB_MECH_SPC,NCS2 ),\n & JHIZ2( NUMB_MECH_SPC,NCS2 ),\n & KZLO1( NUMB_MECH_SPC,NCS2 ),\n & KZLO2( NUMB_MECH_SPC,NCS2 ),\n & KZHI0( NUMB_MECH_SPC,NCS2 ),\n & KZHI1( NUMB_MECH_SPC,NCS2 ), STAT = STATUS )\n IF ( STATUS .NE. 0 ) THEN\n XMSG = 'ERROR allocating JHIZ1, JHIZ2, KZLO1, KZLO2, KZHI0, or KZHI1'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT2 )\n END IF\n\n ALLOCATE( KZERO( MXARRAY,NCS2 ), STAT = STATUS )\n IF ( STATUS .NE. 0 ) THEN\n XMSG = 'ERROR allocating KZERO'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT2 )\n END IF\n\n ALLOCATE( KZILCH( NUMB_MECH_SPC,NCS2 ),\n & MZHI0 ( NUMB_MECH_SPC,NCS2 ),\n & MZHI1 ( NUMB_MECH_SPC,NCS2 ),\n & MZILCH( NUMB_MECH_SPC,NCS2 ),\n & MZLO1 ( NUMB_MECH_SPC,NCS2 ),\n & MZLO2 ( NUMB_MECH_SPC,NCS2 ), STAT = STATUS )\n IF ( STATUS .NE. 0 ) THEN\n XMSG = 'ERROR allocating KZILCH, MZHI0, MZHI1, MZILCH, MZLO1, or MZLO2'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT2 )\n END IF\n\n ALLOCATE( VDIAG( BLKSIZE,NUMB_MECH_SPC ), STAT = STATUS )\n IF ( STATUS .NE. 0 ) THEN\n XMSG = 'ERROR allocating VDIAG'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT2 )\n END IF\n\n ALLOCATE( CC2( BLKSIZE,0:MXARRAY ), STAT = STATUS )\n IF ( STATUS .NE. 0 ) THEN\n XMSG = 'ERROR allocating CC2'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT2 )\n END IF\n\nc..cell & solver data\n ALLOCATE( BLKTEMP( BLKSIZE ),\n & BLKPRES( BLKSIZE ),\n & BLKCH2O( BLKSIZE ),\n & BLKDENS( BLKSIZE ),\n & BLKSVOL( BLKSIZE ), \n & BLKSEAWATER( BLKSIZE ), STAT = STATUS )\n IF ( STATUS .NE. 0 ) THEN\n XMSG = 'ERROR allocating BLKTEMP, BLKPRES, BLKCH2O, BLKDENS, '\n & // 'BLKSVOL, BLKSEAWATER '\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT2 )\n END IF\n\n NJPHOT = NPHOTAB\n ALLOCATE( RJBLK( BLKSIZE,NJPHOT ), STAT = STATUS ) \n IF ( STATUS .NE. 0 ) THEN\n XMSG = 'ERROR allocating RJBLK'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT2 )\n END IF\n\n ALLOCATE( RKI( BLKSIZE,NRXNS ),\n & ATOL( NUMB_MECH_SPC ),\n & RTOL( NUMB_MECH_SPC ),\n & FORWARD_CONV( NUMB_MECH_SPC ),\n & REVERSE_CONV( NUMB_MECH_SPC ),\n & Y( BLKSIZE,NUMB_MECH_SPC ), STAT = STATUS )\n IF ( STATUS .NE. 0 ) THEN\n XMSG = 'ERROR allocating RKI, ATOL, RTOL, or Y'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT2 )\n END IF\n\n#ifdef sens\n ALLOCATE( YAVE( BLKSIZE,NUMB_MECH_SPC ), STAT = STATUS )\n IF ( STATUS .NE. 0 ) THEN\n XMSG = 'ERROR allocating YAVE'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT2 )\n END IF\n#endif\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Set convergence tolerances for each species; currently uses\nc one set of tolerances for all species\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF( .NOT. MAP_CHEMISTRY_SPECIES() )THEN\n XMSG = 'Detected above error(s) when mapping Chemistry species from CGRID species'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT2 )\n END IF\n\n DO N = 1, NUMB_MECH_SPC\n ATOL( N ) = REAL( GLBL_ATOL, 8 )\n RTOL( N ) = REAL( GLBL_RTOL, 8 )\n FORWARD_CONV( N ) = 1.0E-3 * MWAIR / REAL( SPECIES_MOLWT( N ) )\n REVERSE_CONV( N ) = REAL( 1.0 / FORWARD_CONV( N ), 8 )\n END DO\n \n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get number of cells in grid and store i,j,k indices of cells in\nc sequential order\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n NCOUNT = 0\n DO LEV = 1, NLAYS\n DO COL = 1, NCOLS\n DO ROW = 1, NROWS\n! DO ROW = 1, NROWS\n! DO COL = 1, NCOLS\n NCOUNT = NCOUNT + 1\n CCOL( NCOUNT ) = COL\n CROW( NCOUNT ) = ROW\n CLEV( NCOUNT ) = LEV\n END DO\n END DO\n END DO\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Define block structure for grid; stop if maxblks exceeded\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n NOXYZ = NCOUNT\n NBLKS = 1 + ( NOXYZ - 1 ) / BLKSIZE\n IF ( NBLKS .GT. MXBLKS ) THEN\n WRITE( XMSG, 92020 ) NBLKS, MXBLKS\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n\n IAVGSIZE = 1 + ( NOXYZ - 1 ) / NBLKS\n IAVGSIZE = MIN( IAVGSIZE, BLKSIZE )\n OFFSET = 0\n\n DO NBLK = 1, NBLKS - 1\n BLKCNO( NBLK ) = OFFSET\n BLKLEN( NBLK ) = IAVGSIZE\n OFFSET = OFFSET + IAVGSIZE\n END DO\n BLKCNO( NBLKS ) = OFFSET\n BLKLEN( NBLKS ) = NOXYZ - ( ( NBLK-1 ) * IAVGSIZE )\n\n RETURN\n \nC********************** FORMAT Statements ****************************** \n92020 FORMAT( 1X, 'ERROR: Maximum Number of Blocks Exceeded',\n & ' for Grid', 'NBLKS=', I3, 1X, ' MAXBLKS=',\n & I3, ' Change GRPARMS.EXT' )\n\n END\n" }, { "path": "CCTM/src/gas/ros3/rbjacob.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/CCTM/src/gas/ros3/rbjacob.F,v 1.3 2011/10/21 16:11:10 yoj Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\n SUBROUTINE RBJACOB( NCSP, YIN )\n\nC***********************************************************************\nC\nC Function: Compute the Jacobian matrix, [J] ( Jij = d[dCi/dt]/dCj )\nC\nC Preconditions: None\nC\nC Key Subroutines/Functions Called: None\nC\nC Revision History: Prototype created by Jerry Gipson, August, 2004\nC Based on the SMVGEAR code originally developed by \nC M. Jacobson, (Atm. Env., Vol 28, No 2, 1994).\nC\nC 31 Jan 05 J.Young: get BLKSIZE from dyn alloc horizontal\nC & vertical domain specifications module (GRID_CONF)\nC 28 Jun 10 J.Young: remove unneccesary modules and include files\nC 22 Aug 11 J.Young: fixed bug: initialize CC2( NCELL,0 )\nC 15 Jul 14 B.Hutzell: replaced mechanism include files with \nC RXNS_DATA module and added intent declarations to arguments\nC\nC***********************************************************************\n\n USE RXNS_DATA\n USE RBDATA ! ROS3 solver data\n\n IMPLICIT NONE\n\nC..Includes:\n\nC..Arguments:\n INTEGER, INTENT( IN ) :: NCSP ! Index of chem mech to use; 1=gas/day, 2=gas/night\n REAL( 8 ), INTENT( IN ) :: YIN( :, : ) ! Species concs, ppm\n\nC..Parameters: None\n\nC..External Functions: None\n\nC..Local Variables:\n INTEGER IALP ! Pointer to location of PD term in EXPLIC\n INTEGER IAR ! Loop index for non-zero entries in [P]\n INTEGER IARP ! Pointer to location of PD term in [P]\n INTEGER IARRY ! Pointer to end of [P] entries\n INTEGER ISCP ! Pointer to stoichiometric coefficient\n INTEGER ISPC ! Loop index for species\n INTEGER JR1, JR2, JR3 ! Pointer to reactant species conc.\n INTEGER NCELL ! Loop index for number of cells\n INTEGER NL ! Loop index for loss PD terms\n INTEGER NLD ! Number of loss PD terms for each rxn.\n INTEGER NP ! Loop index for prod PD terms\n INTEGER NPD ! Number of prod PD terms for each rxn.\n INTEGER NRK ! Reaction number\n INTEGER NRX ! Loop index for number of reactions\n INTEGER NONDIAG ! Pointer to end of off-diagonal entries\n INTEGER NONDIAG1 ! Pointer to start of diagonal entries\n \n REAL( 8 ) :: CR2 ! Temporary product for 3 reactant rxns\n REAL( 8 ) :: FRACN ! Stoichiometric coeff. times b*h\n REAL( 8 ) :: EXPLIC( BLKSIZE,3 ) ! Reaction partial derivative terms\n\nC***********************************************************************\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Zero out Jacobian ( stored in sparse matrix array cc2 )\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IARRY = IARRAY( NCSP ) \n NONDIAG = IARRY - ISCHAN \n NONDIAG1 = NONDIAG + 1\n! DO IAR = 1, NONDIAG\n DO IAR = 0, NONDIAG\n DO NCELL = 1, NUMCELLS\n CC2( NCELL,IAR ) = 0.0D0\n END DO\n END DO\n DO IAR = NONDIAG1, IARRY\n DO NCELL = 1, NUMCELLS\n CC2( NCELL,IAR ) = 0.0D0\n END DO\n END DO\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Loop over reaction rates adding partial derivative terms; EXPLIC\nc holds the PD terms according to number of reactants\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n DO 240 NRX = 1, NUSERAT( NCSP )\n\n NRK = NKUSERAT( NRX,NCSP )\n \nc...partial derivative term for reactions with 1 reactant\n IF ( NREACT( NRK ) .EQ. 1 ) THEN\n DO NCELL = 1, NUMCELLS\n EXPLIC( NCELL,1 ) = RKI( NCELL,NRK ) \n END DO\n \nc...partial derivative terms for reactions with 2 reactants\n ELSE IF ( NREACT( NRK ) .EQ. 2 ) THEN\n JR1 = IRM2( NRK,1,NCS )\n JR2 = IRM2( NRK,2,NCS )\n DO NCELL = 1, NUMCELLS\n EXPLIC( NCELL,1 ) = RKI( NCELL,NRK )\n & * YIN( NCELL,JR2 )\n EXPLIC( NCELL,2 ) = RKI( NCELL,NRK )\n & * YIN( NCELL,JR1 )\n END DO\n \nc.....partial derivative terms for reactions with 3 reactants\n ELSE IF ( NREACT( NRK ) .EQ. 3 ) THEN\n JR1 = IRM2( NRK,1,NCS )\n JR2 = IRM2( NRK,2,NCS )\n JR3 = IRM2( NRK,3,NCS )\n DO NCELL = 1, NUMCELLS\n CR2 = RKI( NCELL,NRK ) * YIN( NCELL,JR2 )\n EXPLIC( NCELL,1 ) = CR2 * YIN( NCELL,JR3 )\n EXPLIC( NCELL,2 ) = RKI( NCELL,NRK )\n & * YIN( NCELL,JR1 )\n & * YIN( NCELL,JR3 ) \n EXPLIC( NCELL,3 ) = CR2 * YIN( NCELL,JR1 )\n END DO\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Add PD terms to [J] for this reaction\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc...loss terms\n NLD = NDERIVL( NRK,NCSP ) \n DO NL = 1, NLD\n IARP = JARRL( NRK,NL,NCSP )\n IALP = JLIAL( NRK,NL,NCSP )\n DO NCELL = 1, NUMCELLS\n CC2( NCELL,IARP ) = CC2( NCELL,IARP ) - EXPLIC( NCELL,IALP ) \n END DO\n END DO ! End loop over loss terms\n\nc...production terms with stoichiomteric coeff EQ 1.0 and NE 1.0\n NPD = NDERIVP( NRK,NCSP )\n DO 220 NP = 1, NPD\n\n IARP = JARRP( NRK,NP,NCSP )\n IALP = JPIAL( NRK,NP,NCSP )\n\n IF ( ICOEFF( NRK,NP,NCSP ) .EQ. 0 ) THEN\nc..production terms with unit stoichiometry\n DO NCELL = 1, NUMCELLS\n CC2( NCELL,IARP ) = CC2( NCELL,IARP ) + EXPLIC( NCELL,IALP ) \n END DO\n\n ELSE\nc..production terms with non-unit stoichiometry\n ISCP = ICOEFF( NRK,NP,NCSP )\n FRACN = SC( NRK,ISCP ) \n DO NCELL = 1, NUMCELLS\n CC2( NCELL,IARP ) = CC2( NCELL,IARP ) + FRACN\n & * EXPLIC( NCELL,IALP ) \n END DO\n \n END IF\n\n220 CONTINUE ! End loop over production terms\n\n240 CONTINUE ! End loop over reactions\n\n RETURN \n END\n" }, { "path": "CCTM/src/gas/ros3/rbsolve.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/CCTM/src/gas/ros3/rbsolve.F,v 1.3 2011/10/21 16:11:10 yoj Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\n SUBROUTINE RBSOLVE( NCSP, RHS )\n\nC**********************************************************************\nC\nC Function: Solve the set of linear simultaneous equations of the\nC form [A]{x}={b} using the decomposed lower and upper\nC triangular matrices [L] and [U]. The subroutine first \nC solves for {c} in [L]{c}={b}, and then for {x} in\nC [U]{x}={c}.\nC\nC Preconditions: Subroutine DECOMP must have been called\nC \nC Key Subroutines/Functions Called: None\nC\nC Revision History: Prototype created by Jerry Gipson, August, 2004.\nC Based on the SMVGEAR code originally developed by \nC M. Jacobson, (Atm. Env., Vol 28, No 2, 1994)\nC\nC 31 Jan 05 J.Young: get BLKSIZE from dyn alloc horizontal\nC & vertical domain specifications module (GRID_CONF)\nC 28 Jun 10 J.Young: remove unnecessary modules and include files\nC 14 Jul 14 B.Hutzell: added intent declaration to arguments\nC***********************************************************************\n\n USE RBDATA ! ROS3 solver data\n\n IMPLICIT NONE\n \nC..Includes: None\n \nC..Arguments:\n INTEGER, INTENT( IN ) :: NCSP ! Index of chem mech to use: 1=gas/day, 2=gas/night\n REAL( 8 ), INTENT( INOUT ) :: RHS( :,: ) ! Right hand side = {b}\n\nC..Parameters: None\n\nC..External Functions: None\n\nC..Local Variables:\n INTEGER I ! Loop index for number of species\n INTEGER IJ ! Counter of # of terms summed\n INTEGER IJ0, IJ1, IJ2, ! Pointers to location of ij entries in\n & IJ3, IJ4 ! decomposed matrix\n INTEGER J, J1, J2, J3, J4 ! Pointers to species # for dc/dt\n INTEGER JZ ! Loop index inner backsub loops\n INTEGER NCELL ! Loop index for number of cells\n\nC***********************************************************************\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Back-substition loop 1\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IJ = 1 \n DO 60 I = 1, ISCHAN\n \nc.....sum 5 terms at a time\n DO JZ = 1, KZHI0( I, NCSP ), 5 \n IJ0 = IJ \n IJ1 = IJ + 1\n IJ2 = IJ + 2 \n IJ3 = IJ + 3 \n IJ4 = IJ + 4 \n J = KZERO( IJ0,NCSP )\n J1 = KZERO( IJ1,NCSP )\n J2 = KZERO( IJ2,NCSP )\n J3 = KZERO( IJ3,NCSP )\n J4 = KZERO( IJ4,NCSP )\n IJ = IJ + 5 \n DO NCELL = 1, NUMCELLS\n RHS( NCELL,I ) = RHS( NCELL,I )\n & - CC2( NCELL,IJ0 ) * RHS( NCELL, J )\n & - CC2( NCELL,IJ1 ) * RHS( NCELL,J1 )\n & - CC2( NCELL,IJ2 ) * RHS( NCELL,J2 )\n & - CC2( NCELL,IJ3 ) * RHS( NCELL,J3 )\n & - CC2( NCELL,IJ4 ) * RHS( NCELL,J4 )\n END DO\n END DO\n \nc.....sum 2 terms at a time\n DO JZ = KZLO1( I,NCSP ), KZHI1( I,NCSP ), 2 \n IJ0 = IJ \n IJ1 = IJ + 1\n J = KZERO( IJ0,NCSP )\n J1 = KZERO( IJ1,NCSP )\n IJ = IJ + 2 \n DO NCELL = 1, NUMCELLS\n RHS( NCELL,I ) = RHS( NCELL,I )\n & - CC2( NCELL,IJ0 ) * RHS( NCELL, J )\n & - CC2( NCELL,IJ1 ) * RHS( NCELL,J1 )\n END DO\n END DO\n \nc.....sum 1 term at a time\n DO JZ = KZLO2( I,NCSP ), KZILCH( I,NCSP ) \n IJ0 = IJ\n J = KZERO( IJ0,NCSP )\n IJ = IJ + 1 \n DO NCELL = 1, NUMCELLS\n RHS( NCELL,I ) = RHS( NCELL,I )\n & - CC2( NCELL,IJ0 ) * RHS( NCELL,J )\n END DO\n END DO\n60 CONTINUE\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Back-substitution loop 2\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n DO 180 I = ISCHAN, 1, -1\n\nc...sum 5 terms at a time\n DO JZ = 1, MZHI0( I,NCSP ), 5 \n IJ0 = IJ\n IJ1 = IJ + 1\n IJ2 = IJ + 2 \n IJ3 = IJ + 3 \n IJ4 = IJ + 4 \n J = KZERO( IJ0,NCSP )\n J1 = KZERO( IJ1,NCSP )\n J2 = KZERO( IJ2,NCSP )\n J3 = KZERO( IJ3,NCSP )\n J4 = KZERO( IJ4,NCSP )\n IJ = IJ + 5\n DO NCELL = 1, NUMCELLS\n RHS( NCELL,I ) = RHS( NCELL,I )\n & - CC2( NCELL,IJ0 ) * RHS( NCELL, J ) \n & - CC2( NCELL,IJ1 ) * RHS( NCELL,J1 )\n & - CC2( NCELL,IJ2 ) * RHS( NCELL,J2 )\n & - CC2( NCELL,IJ3 ) * RHS( NCELL,J3 )\n & - CC2( NCELL,IJ4 ) * RHS( NCELL,J4 )\n END DO\n END DO\n \nc...sum 2 terms at a time \n DO JZ = MZLO1( I,NCSP ), MZHI1( I,NCSP ), 2 \n IJ0 = IJ \n IJ1 = IJ + 1\n J = KZERO( IJ0,NCSP )\n J1 = KZERO( IJ1,NCSP )\n IJ = IJ + 2 \n DO NCELL = 1, NUMCELLS\n RHS( NCELL,I ) = RHS( NCELL,I )\n & - CC2( NCELL,IJ0 ) * RHS( NCELL, J ) \n & - CC2( NCELL,IJ1 ) * RHS( NCELL,J1 ) \n END DO\n END DO\n \nc...sum 1 term at a time\n DO JZ = MZLO2( I,NCSP ), MZILCH( I,NCSP ) \n IJ0 = IJ \n J = KZERO( IJ0,NCSP )\n IJ = IJ + 1 \n DO NCELL = 1, NUMCELLS\n RHS( NCELL,I ) = RHS( NCELL,I )\n & - CC2( NCELL,IJ0 ) * RHS( NCELL,J ) \n END DO\n END DO\n\nc...adjust diagonal element\n DO NCELL = 1, NUMCELLS\n RHS( NCELL,I ) = RHS( NCELL,I ) * VDIAG( NCELL,I )\n END DO\n180 CONTINUE\n \n RETURN\n END\n\n" }, { "path": "CCTM/src/gas/ros3/rbsolver.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/CCTM/src/gas/ros3/rbsolver.F,v 1.5 2011/10/21 16:11:11 yoj Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\n SUBROUTINE RBSOLVER( JDATE, JTIME, CHEMSTEP, NCSP,\n & LIRRFLAG, NIRRCLS, IRRCELL )\n\nC**********************************************************************\nC\nC Function: ROS3 solver \nC\nC Preconditions: None\nC\nC Key Subroutines/Functions Called: \nC DEGRADE_BLK\nC\nC Revision History: Prototype created by Jerry Gipson, August, 2004\nC Based on the solver described by Sandu et al\nC ( Atm. Env., Vol. 31, No. 20, 1997 ) and included\nC in the Kinetic PreProcessor-KPP ( see for example \nC Sandu et al., At, Env., Vol. 37, 5097-5114, \nC 2003). This code also incorporates efficiency\nC concepts originally developed by M. Jacobson\nC for SMVGEAR (Atm. Env., Vol 28, No 2, 1994)\nC \nC 31 Jan 05 J.Young: get BLKSIZE from dyn alloc horizontal\nC & vertical domain specifications module (GRID_CONF)\nC 29 Jul 05 WTH: Added IF blocks that call degrade \nC routines if CALL_DEG is true, i.e.,\nC if MECHNAME contains 'TX' substring.\nC 28 Jun 10 J.Young: convert for Namelist redesign\nC 29 Mar 11 S.Roselle: Replaced I/O API include files\nC with UTILIO_DEFN\nC 15 Jul 14 B.Hutzell: replaced mechanism include files with \nC RXNS_DATA module, updated explicit interfaces and revised\nC block for FPP flag redebug is set in compilation\nC 21 Mar 22 G . Sarwar: changed BLKLAND to BLKSEAWATER\nC**********************************************************************\n! USE GRID_CONF ! horizontal & vertical domain specifications\n USE RXNS_DATA\n USE RBDATA ! ROS3 solver data\n USE CGRID_SPCS ! CGRID mechanism species\n USE UTILIO_DEFN\n USE DEGRADE_ROUTINES, ONLY: DEGRADE_BLK\n USE PA_IRR_MODULE\n \n IMPLICIT NONE \n\nC..Includes:\n\nC..Arguments:\n INTEGER, INTENT( IN ) :: JDATE ! Current date (YYYYDDD)\n INTEGER, INTENT( IN ) :: JTIME ! Current time (HHMMSS)\n REAL( 8 ), INTENT( IN ) :: CHEMSTEP ! Chem integration interval (min)\n INTEGER, INTENT( IN ) :: NCSP ! Index of chem mech to use\n ! 1=gas/day, 2=gas/night\n LOGICAL, INTENT( IN ) :: LIRRFLAG ! Flag for IRR calculations\n INTEGER, INTENT( INOUT ) :: NIRRCLS ! No. of cells in block for IRR\n INTEGER, INTENT( IN ) :: IRRCELL( : ) ! Cell No. of an IRR cell\n\nC..Parameters:\n\nc..ROS3 solver parameters - from KPP\n REAL( 8 ), PARAMETER :: GAM = 0.43586652150845899941601945119356D+00\n REAL( 8 ), PARAMETER :: C21 = -0.10156171083877702091975600115545D+01\n REAL( 8 ), PARAMETER :: C31 = 0.40759956452537699824805835358067D+01\n REAL( 8 ), PARAMETER :: C32 = 0.92076794298330791242156818474003D+01\n REAL( 8 ), PARAMETER :: B1 = 0.10000000000000000000000000000000D+01\n REAL( 8 ), PARAMETER :: B2 = 0.61697947043828245592553615689730D+01\n REAL( 8 ), PARAMETER :: B3 = -0.42772256543218573326238373806514D+00\n REAL( 8 ), PARAMETER :: D1 = 0.50000000000000000000000000000000D+00\n REAL( 8 ), PARAMETER :: D2 = -0.29079558716805469821718236208017D+01\n REAL( 8 ), PARAMETER :: D3 = 0.22354069897811569627360909276199D+00\n REAL( 8 ), PARAMETER :: A21 = 1.0D+00\n REAL( 8 ), PARAMETER :: A31 = 1.0D+00\n REAL( 8 ), PARAMETER :: A32 = 0.0D+00\n REAL( 8 ), PARAMETER :: G1 = 0.43586652150845899941601945119356D+00\n REAL( 8 ), PARAMETER :: G2 = 0.24291996454816804366592249683314D+00\n REAL( 8 ), PARAMETER :: G3 = 0.21851380027664058511513169485832D+01\n REAL( 8 ), PARAMETER :: GROW = 1.0D+00 / 3.00D+00\n REAL( 8 ), PARAMETER :: RGAM = 1.0D+00 / GAM\n\n REAL( 8 ), PARAMETER :: DTSTART = 0.5D-01 ! Starting time step (min)\n REAL( 8 ), PARAMETER :: DTMIN = 1.0D-08 ! Min time step\n REAL( 8 ), PARAMETER :: DTMAX = 1.0D+01 ! Max time step\n REAL( 8 ), PARAMETER :: UROUND = 1.0D-18 ! Roundoff parameter\n\n REAL( 8 ), PARAMETER :: FACMAX = 1.0D+01 ! Max time step factor\n REAL( 8 ), PARAMETER :: FACMIN = 1.0D-01 ! Min time step factor\n REAL( 8 ), PARAMETER :: FACONE = 1.0D+00 ! Time step fac of 1.0\n\n REAL( 8 ), PARAMETER :: CONMIN = 1.0D-30 ! Min conc\n\nC..External FUNCTIONS:\n \nC..Local Variables:\n CHARACTER( 16 ), SAVE :: PNAME = 'RBSOLVER' ! Procedure name\n CHARACTER( 96 ) :: XMSG = ' '\n LOGICAL, SAVE :: LFIRST = .TRUE. ! Flag for first call\n\n INTEGER I, J, N, JSPC ! Loop indices\n INTEGER IDIAGBEG ! Index of diagonal start in Jac array \n INTEGER OFFSET ! Cell offset for blcock\n INTEGER NCELL ! Cell loop index\n INTEGER NRX ! Loop index for reactions\n INTEGER ISPOLD ! Species index for old array order\n INTEGER NCALL_DEGRADE ! WTH\n INTEGER IOS ! status\n\n LOGICAL LPASS ! Flag for convergence achieved\n\n REAL(8), ALLOCATABLE, SAVE :: CIRR ( :,: ) ! Species concs for IRR analysis\n REAL(8), ALLOCATABLE, SAVE :: RKIRR( :,: ) ! Rate constants for IRR analysis\n INTEGER, ALLOCATABLE, SAVE :: DUMMY( : ) ! Dummy array for IRR call\n\n REAL( 8 ) :: D\n REAL( 8 ) :: DT ! Time step\n REAL( 8 ) :: DTCELL ! Time step for each cell for IRR\n REAL( 8 ) :: DTINV ! Inverse of time step\n REAL( 8 ) :: DTFAC ! Time step scale factor\n REAL( 8 ) :: GDTINV ! Inverse of gamma x time step\n REAL( 8 ) :: TNOW ! Elapsed time at start of integration step\n REAL( 8 ) :: TEND ! Elapsed time at end of integration step\n REAL( 8 ) :: DT_DEGRADE ! WTH: Time step for degradation routine\n REAL( 8 ) :: YTOL ! Species tolerance\n REAL( 8 ), SAVE :: RNSPEC ! Recipricol of # of species\n REAL( 8 ) :: X1, X2 ! Temp ROS3 variables\n REAL( 8 ) :: ERRYMAX ! Cell/species stiffness estimate\n REAL( 8 ) :: YLOWEPS ! Tolerance ratio used in stiffness calc\n REAL( 8 ) :: MAXERR ! Max of cell error estimates\n REAL( 8 ) :: OLDERR ! OLD max error \n\n INTEGER COL_ERR ! column for max of cell error estimate\n INTEGER ROW_ERR ! row for max of cell error estimate\n INTEGER LAY_ERR ! layer for max of cell error estimate\n INTEGER CELL_MAXERR ! cell with maximum error estimate\n REAL( 8 ) :: MAX_SPC_ERR ! species error in the cell\n \n REAL( 8 ), ALLOCATABLE, SAVE :: YDOT( :,: ) ! dc/dt array\n\nc.....ROS3 intermediate variables\n REAL( 8 ), ALLOCATABLE, SAVE :: K1( :,: ) \n REAL( 8 ), ALLOCATABLE, SAVE :: K2( :,: )\n REAL( 8 ), ALLOCATABLE, SAVE :: K3( :,: )\n REAL( 8 ), ALLOCATABLE, SAVE :: K4( :,: )\n REAL( 8 ), ALLOCATABLE, SAVE :: YP( :,: ) ! Predicted conc\n REAL( 8 ), ALLOCATABLE, SAVE :: ERR( : ) ! Error est for each cell\n\n\n#ifdef rbdebug\n\n INTEGER COL, CD ! Column for debug output \n INTEGER ROW, RD ! Row for debug output\n INTEGER LEV, LD ! Level for debug output\n INTEGER DBGOUT ! Output unit for debug output\n\n LOGICAL LDEBUG ! Debug output flag\n LOGICAL, SAVE :: LOPEN = .FALSE. ! Flag for debug file opened\n\n#endif\n\n INTERFACE\n SUBROUTINE RBFEVAL( NCSP, YIN, YDOT )\n INTEGER, INTENT( IN ) :: NCSP ! Index of mech to use: 1=gas/day, 2=gas/night\n REAL( 8 ), INTENT( INOUT ) :: YIN( :, : ) ! Species concs, ppm\n REAL( 8 ), INTENT( OUT ) :: YDOT( :, : ) ! Species rates of change, ppm/min\n END SUBROUTINE RBFEVAL\n SUBROUTINE RBSOLVE( NCSP, RHS )\n INTEGER, INTENT( IN ) :: NCSP ! Index of chem mech to use: 1=gas/day, 2=gas/night\n REAL( 8 ), INTENT( INOUT ) :: RHS( :,: ) ! Right hand side = {b}\n END SUBROUTINE RBSOLVE\n SUBROUTINE RBJACOB( NCSP, YIN )\n INTEGER, INTENT( IN ) :: NCSP ! Index of chem mech to use; 1=gas/day, 2=gas/night\n REAL( 8 ), INTENT( IN ) :: YIN( :,: ) ! Species concs, ppm\n END SUBROUTINE RBJACOB\n SUBROUTINE RBDECOMP( NCSP )\n INTEGER, INTENT( IN ) :: NCSP ! Index of chem mech to use: 1=gas/day, 2=gas/night\n END SUBROUTINE\n END INTERFACE\n\nC**********************************************************************\n\nCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC\nC The s-stage Rosenbrock method solves the following equations\nC s\nC Y(n+1) = Yn + SUM( Bi * Ki) \nC i=1\nC where\nC i-1 i\nC Ki = H * F[ Yn + SUM( Aij * Kj ) ] + H * J * SUM( GAMMAij * Kj ) \nC j=1 j=1\nC\nC See Sandu et al. for details and the values of Bi, GAMMAij, Aij, etc.\nC\nC For computational efficiency, the equations are re-arranged as \nC follows (e.g., see Press, Numerical Recipes, Chap 16 on ODEs )\nC\nC Gi = SUM( GAMMAij * Kj ) + GAMMA * Ki i=1,...s\nC\nC [ I / GAMMA H - J ] G1 = F[ Yn ]\nC [ I / GAMMA H - J ] G2 = F[ Yn + A21 * G1 ] + ( C21 * G1 ) / H\nC [ I / GAMMA H - J ] G3 = F[ Yn + A31 * G1 + A32 * G2 ] + \nC ( C31 * G1 + C32 G2 ) / H \nC \nC The code below sequentially calculates the Gi, and then computes\nC Y(n+1) via the first formula. Note that the parameter values will be\nC different from those shown in Sandu et al. because the code computes\nC Gi instead of Ki\nCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC\n\n IF ( LFIRST ) THEN\n LFIRST = .FALSE.\n ALLOCATE ( YDOT( BLKSIZE,N_SPEC ),\n & K1 ( BLKSIZE,N_SPEC ),\n & K2 ( BLKSIZE,N_SPEC ),\n & K3 ( BLKSIZE,N_SPEC ),\n & K4 ( BLKSIZE,N_SPEC ),\n & YP ( BLKSIZE,N_SPEC ),\n & ERR ( BLKSIZE ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n XMSG = '*** Memory Allocation Error'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n\n! IF ( LIRRFLAG ) THEN !*** This works only if in irr subdomain window\n ALLOCATE ( CIRR ( BLKSIZE,N_SPEC ),\n & RKIRR ( BLKSIZE,N_RXNS ), \n & DUMMY ( BLKSIZE ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n XMSG = '*** Memory Allocation Error'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n! END IF\n\n RNSPEC = 1.0 / FLOAT( N_SPEC )\n\n END IF ! LFIRST\n\nc++++++++++++++++++++++++Debug section++++++++++++++++++++++++++++++++++\n#ifdef rbdebug \n\n! CD, RD, LD set by modifying code\n CD = 0\n RD = 0\n LD = 0\n DO NCELL = 1, NUMCELLS\n COL = CCOL( NCELL )\n ROW = CROW( NCELL )\n LEV = CLEV( NCELL )\n IF ( CD .EQ. COL .AND. RD .EQ. ROW .AND. LD .EQ. LEV ) THEN\n! IF ( JTIME .EQ. 160000 ) THEN\n LDEBUG = .TRUE.\n EXIT\n ELSE\n LDEBUG = .FALSE.\n END IF\n END DO\n\n IF ( LDEBUG ) THEN\n IF ( .NOT. LOPEN ) THEN\n DBGOUT = JUNIT()\n OPEN( UNIT = DBGOUT, FILE = 'debug.out' )\n LOPEN = .TRUE.\n END IF\n\n WRITE( DBGOUT, '( A, 2I4, I3, 1X, I7, 1X, I6 ) ' )\n & 'Debug output for col/row/lev/date/time:', \n & C, R, L, JDATE, JTIME\n WRITE( DBGOUT, '( A, F7.2) ' )\n & 'CHEMTMSTEP = ', CHEMSTEP\n WRITE( DBGOUT, '( A )' ) 'Starting concs and rate constants'\n DO N = 1, N_SPEC\n WRITE( DBGOUT, '( A, I3, 1X, A, 1X, 1PE13.5 )' )\n & 'SP ',N, CHEMISTRY_SPC( N ), Y( NCELL, N )\n END DO\n DO N = 1, N_RXNS\n WRITE( DBGOUT, '( A, I3, 1X, 1PE13.5 )' )\n & 'RKI ', N, RKI( NCELL, N )\n END DO\n END IF\n\n#endif\nc++++++++++++++++++++++++Debug section++++++++++++++++++++++++++++++++++\n\n\n ISCHAN = ISCHANG( NCS )\n\n IDIAGBEG = IARRAY( NCSP ) - ISCHAN + 1\n\n DT = MAX( DTMIN, DTSTART )\n\n TNOW = 0.0D+00\n\n NCALL_DEGRADE = 0\n\n LPASS = .FALSE.\n\n OFFSET = BLKCNO( BLKID )\n\n IF ( LIRRFLAG ) THEN\n\n DO NRX = 1, N_RXNS\n DO NCELL = 1, NIRRCLS\n RKIRR( NCELL,NRX ) = RKI( IRRCELL( NCELL ),NRX )\n END DO\n END DO\n\n DTCELL = 0.0D0\n DO I = 1, ISCHAN\n ISPOLD = INEW2OLD( I, NCS )\n DO NCELL = 1, NIRRCLS\n CIRR( NCELL, ISPOLD ) = Y( IRRCELL( NCELL ),I )\n END DO\n END DO\n CALL PA_IRR ( .TRUE., .FALSE., RKIRR, CIRR, DTCELL, NIRRCLS, DUMMY )\n\n END IF\n\n\n#ifdef sens\n YAVE = 0.0D0\n#endif\n DO 100 WHILE ( TNOW .LT. CHEMSTEP )\n\n CALL RBFEVAL( NCSP, Y, YDOT )\n\n IF ( LORDERING ) THEN\n\n DO JSPC = 1, ISCHAN \n YLOWEPS = ATOL( JSPC ) / ( MIN( RTOL( JSPC ), 0.003D+00 ) )\n DO NCELL = 1, NUMCELLS\n ERRYMAX = YDOT( NCELL,JSPC )\n & / ( Y( NCELL,JSPC ) + YLOWEPS )\n ERRMX2( OFFSET + NCELL ) = ERRMX2( OFFSET + NCELL )\n & + ERRYMAX * ERRYMAX\n END DO\n END DO\n\n RETURN\n \n END IF\n\n TEND = TNOW + DT \n\n IF ( TEND .GT. CHEMSTEP ) THEN\n DT = CHEMSTEP - TNOW\n TEND = CHEMSTEP\n END IF \n\n DTINV = 1.0D+00 / DT\n\n GDTINV = DTINV * RGAM\n \n CALL RBJACOB( NCSP, Y )\n\n DO J = IDIAGBEG, IARRAY( NCSP )\n DO NCELL = 1, NUMCELLS\n CC2( NCELL,J ) = CC2( NCELL,J ) - GDTINV\n END DO\n END DO\n\n CALL RBDECOMP( NCSP )\n\nc..stage 1\n DO N = 1, N_SPEC\n DO NCELL = 1, NUMCELLS\n K1( NCELL,N ) = -YDOT( NCELL,N )\n END DO\n END DO \n\n CALL RBSOLVE( NCSP, K1 )\n\nc..stage 2\n DO N = 1, N_SPEC\n DO NCELL = 1, NUMCELLS\n YP( NCELL,N ) = Y( NCELL,N ) + K1( NCELL,N )\n END DO\n END DO \n\n CALL RBFEVAL( NCSP, YP, YDOT )\n\n X1 = C21 * DTINV\n DO N = 1, N_SPEC\n DO NCELL = 1, NUMCELLS\n K2( NCELL,N ) = -YDOT( NCELL,N ) - X1 * K1( NCELL,N )\n END DO\n END DO \n\n CALL RBSOLVE( NCSP, K2 )\n\nc..stage 3\n X1 = C31 * DTINV\n X2 = C32 * DTINV\n DO N = 1, N_SPEC\n DO NCELL = 1, NUMCELLS\n K3( NCELL,N ) = -YDOT( NCELL,N ) - X1 * K1( NCELL,N )\n & - X2 * K2( NCELL, N )\n END DO\n END DO\n\n CALL RBSOLVE( NCSP, K3 )\n\nc..final solution\n DO N = 1, N_SPEC\n DO NCELL = 1, NUMCELLS\n YP( NCELL,N ) = Y( NCELL,N ) + B1 * K1( NCELL,N )\n & + B2 * K2( NCELL,N ) + B3 * K3( NCELL,N )\n END DO\n END DO\n\nc..Estimate error\n ERR = 0.0D+00\n DO N = 1, N_SPEC\n DO NCELL = 1, NUMCELLS\n YTOL = ATOL( N ) + RTOL( N ) * ABS( YP( NCELL,N ) )\n ERR( NCELL ) = ERR( NCELL )\n & + ( ( D1 * K1( NCELL,N ) + D2 * K2( NCELL,N )\n & + D3 * K3( NCELL,N ) ) / YTOL ) ** 2\n END DO\n END DO\n\n MAXERR = 0.0D+00\n OLDERR = MAXERR\n MAX_SPC_ERR = 0.0D+00\n \n DO NCELL = 1, NUMCELLS\n MAXERR = MAX( MAXERR, UROUND, SQRT( ERR( NCELL ) * RNSPEC ) )\n IF ( OLDERR .NE. MAXERR )THEN\n OLDERR = MAXERR\n COL_ERR = CCOL( NCELL )\n ROW_ERR = CROW( NCELL )\n LAY_ERR = CLEV( NCELL )\n CELL_MAXERR = NCELL \n END IF\n END DO\n\n DTFAC = 0.9D+00 / MAXERR ** GROW\n\n IF ( MAXERR .LE. 1.0D+00 ) THEN\n\n#ifdef rbstats\n NSTEPS = NSTEPS + 1\n#endif\n\n DO N = 1, NUMB_MECH_SPC\n DO NCELL = 1, NUMCELLS\n#ifdef sens\n YAVE( NCELL,N ) = YAVE( NCELL,N ) \n & + 0.5D0 * (Y( NCELL,N )+ MAX(YP( NCELL,N),CONMIN))\n & * DT\n#endif\n Y( NCELL,N ) = MAX( YP( NCELL,N ), CONMIN )\n END DO\n END DO\n\n IF ( LIRRFLAG ) THEN\n DTCELL = DT\n DO I = 1, ISCHAN\n ISPOLD = INEW2OLD( I, NCS )\n DO NCELL = 1, NIRRCLS\n CIRR( NCELL,ISPOLD ) = Y( IRRCELL( NCELL ), I )\n END DO\n END DO\n CALL PA_IRR ( .FALSE., .FALSE., RKIRR, CIRR, DTCELL, \n & NIRRCLS, DUMMY )\n END IF\n\n IF ( CALL_DEG ) THEN !:WTH applying degradation algorithm\n\n DT_DEGRADE = 60.0D0 * ( TEND - TNOW )\n\n DO I = 1, ISCHAN\n ISPOLD = INEW2OLD( I,NCS )\n N = CGRID_INDEX( ISPOLD )\n DO NCELL = 1, NUMCELLS\n Y_DEGRADE( NCELL,N ) = Y( NCELL,I )\n END DO\n END DO\n\n NCALL_DEGRADE = NCALL_DEGRADE + 1\n\n CALL DEGRADE_BLK( Y_DEGRADE, DT_DEGRADE, JDATE, JTIME, BLKID )\n\n END IF !:WTH\n\n TNOW = TEND\n\n IF ( LPASS ) THEN\n DTFAC = MAX( FACMIN, MIN( DTFAC, FACMAX ) )\n ELSE\n DTFAC = MAX( FACMIN, MIN( DTFAC, FACONE ) )\n END IF \n\n DT = MIN( DTMAX, MAX( DTMIN, DTFAC * DT ) )\n\n LPASS = .TRUE.\n\n ELSE\n\n#ifdef rbstats\n IF ( NFAILS .EQ. 0 .AND. TNOW .EQ. 0.0 ) N_BAD_STARTS = N_BAD_STARTS + 1\n NFAILS = NFAILS + 1\n#endif\n\n! DTFAC = MAX( FACMIN, MIN( DTFAC, FACONE ) )\n\n DT = FACMIN * DT \n\n LPASS = .FALSE.\n\n IF ( DT .LT. DTMIN ) THEN\n\n WRITE( LOGDEV, 92110 ) JDATE, JTIME,\n & (COL_ERR + STARTCOLCO ), ( ROW_ERR + STARTROWCO ), LAY_ERR\n\n WRITE( LOGDEV, 92113) N_SPEC, NUMB_MECH_SPC\n WRITE( LOGDEV, 92216) MAXERR, SQRT( ERR( CELL_MAXERR ) * RNSPEC )\n \n DO N = 1, N_SPEC\n YTOL = ATOL( N ) + RTOL( N ) * ABS( YP( CELL_MAXERR, N ) )\n MAX_SPC_ERR = ( ( D1 * K1( CELL_MAXERR,N ) \n & + D2 * K2( CELL_MAXERR,N ) \n & + D3 * K3( CELL_MAXERR,N ) ) / YTOL ) ** 2.0D0\n & / ERR( CELL_MAXERR )\n \n ISPOLD = INEW2OLD( N, NCS )\n WRITE( LOGDEV, 92114 ) ISPOLD, TRIM( CHEMISTRY_SPC( ISPOLD ) ),\n & MAX_SPC_ERR, Y( CELL_MAXERR,N ), YP( CELL_MAXERR,N )\n \n END DO\n\n WRITE( LOGDEV, 92215 ) BLKTEMP( CELL_MAXERR ), BLKPRES( CELL_MAXERR ),\n & BLKDENS( CELL_MAXERR ), BLKCH2O( CELL_MAXERR ), BLKSEAWATER( CELL_MAXERR ) \n\n WRITE( LOGDEV, 92115 )\n\n DO N = 1, NJPHOT\n WRITE( LOGDEV, 92214 ) N, PHOTAB( N ), RJBLK( CELL_MAXERR,N )\n END DO\n\nc..write photolysis rates used in cell\n DO N = 1, NMPHOT\n IF ( IPH( N,3 ) .NE. 0 ) THEN\n I = IPH( N,1 )\n J = IPH( N,2 )\n IF ( RTDAT( 1, I ) .GT. 0.0D+00 )THEN\n WRITE( LOGDEV, 92116 ) TRIM( RXLABEL( I ) ),\n & TRIM( PHOTAB( J ) ), RKI( CELL_MAXERR,I ) / RTDAT( 1,I )\n END IF\n END IF\n END DO\n \n DO N = 1, NMPHOT\n IF ( IPH( N,3 ) .EQ. 0 ) THEN\n I = IPH( N,1 )\n J = IPH( N,2 )\n WRITE( LOGDEV, 92117 ) TRIM( RXLABEL( I ) ),\n & TRIM( RXLABEL( J ) ), RKI( CELL_MAXERR, J )\n END IF\n END DO\n \n CALL M3EXIT( PNAME, JDATE, JTIME, ' ', XSTAT2 )\n\n END IF\n\n END IF\n\n100 END DO ! end time integration loop\n\n\n#ifdef sens\n! complete calculation for YAVE\n YAVE(1:NUMCELLS,1:NUMB_MECH_SPC) = YAVE(1:NUMCELLS,1:NUMB_MECH_SPC) / CHEMSTEP\n! YAVE = 0.5D0*(YAVE+Y)\n#endif\n RETURN\n\n92100 FORMAT( ' Convergence failure ', \n & ' JDATE = ', I7, ' JTIME = ' , I6 )\n\n92110 FORMAT( ' Convergence failure in Gas Chemistry Solver ', \n & ' JDATE = ', I7, ' JTIME = ' , I6,\n & ' at COL = ', I4, ' ROW = ', I4, ' LAY = ', I4 ) \n\n92113 FORMAT( 'Number of Species solved = ', I4, ' out of ',\n & I4, ' Total GC Species ')\n\n92114 FORMAT('CHEMISTRY_SPC( ', I4, ' ) = ', A16,' Error Contribution =', \n & ES12.4, ' Initial Conc = ', ES12.4 , \n & ' Predicted Conc = ', ES12.4 )\n \n92115 FORMAT(' Rates used in Photolysis Reactions ')\n\n92116 FORMAT('Reaction: ', A16, ' uses PHOTAB ', A16, ' = ', ES12.4)\n\n92117 FORMAT('Reaction: ', A16, ' uses Reaction ', A16, ' = ', ES12.4)\n\n92216 FORMAT(/ 'MAXERR = ', ES12.4\n & / 'SQRT( ERR( CELL_MAXERR ) * RNSPEC ) = ', ES12.4)\n\n92214 FORMAT( I3, A16,' = ', E12.4)\n\n92215 FORMAT(/ 'Cell Properties '\n & / 'Temp = ', ES12.4, ' K '\n & / 'Press = ', ES12.4,' Pa '\n & / 'Dens = ', ES12.4, ' Kg/m3 ' \n & / 'H2O Vapor = ', ES12.4, ' ppm '\n & / 'SEAWATER( - ) = ', ES12.4 )\n \n END\n\n" }, { "path": "CCTM/src/gas/ros3/rbsparse.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/CCTM/src/gas/ros3/rbsparse.F,v 1.4 2011/10/21 16:11:11 yoj Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\n SUBROUTINE RBSPARSE( )\n \nC*********************************************************************** \n \nC Function: To define array pointers for sparse matrix storage by\nC doing symbolic LU decomposition\n \nC Preconditions: None\n \nC Key Subroutines/Functions Called: None\n \nC Revision History: Prototype created by Jerry Gipson, August, 2004. \nC Based on the SMVGEAR code originally developed by \nC M. Jacobson, (Atm. Env., Vol 28, No 2, 1994)\nC 28 Jun 10 J.Young: convert for Namelist redesign\nC 29 Mar 11 S.Roselle: Replaced I/O API include files\nC with UTILIO_DEFN\nC 15 Jul 14 B.Hutzell: replaced mechanism include files with \nC RXNS_DATA module and supplement error message when array\nC bounds exceed maximum values\nC***********************************************************************\n\n USE RXNS_DATA\n USE RBDATA ! ROS3 solver data\n USE CGRID_SPCS ! CGRID mechanism species\n USE UTILIO_DEFN\n\n IMPLICIT NONE\n \nC..Includes:\n \nC..Arguments:\n\nC..Parameters:\n INTEGER, PARAMETER :: IZERO = 0 ! Integer zero\n\nC..External Functions: None\n\nC..Local Variables: \n LOGICAL, SAVE :: INITIALIZED = .FALSE. ! Flag for first call to this subroutine\n\n INTEGER :: IFNEVER = 0 ! Flag for counter initialization\n INTEGER :: NDLMAX = 0 ! Max # of PD loss terms in any reaction\n INTEGER :: NDPMAX = 0 ! Max # of PD prod terms in any reaction\n\n CHARACTER( 16 ), PARAMETER :: PNAME = 'RBSPRSE_A' ! Procedure name\n CHARACTER( 80 ) :: MSG ! Mesaage text for output log\n\n INTEGER I,J,K,I1,J1,I2 ! Matrix loop indices\n INTEGER IA, IB ! I,J index holders for decomp loop 2\n INTEGER INEW, JNEW ! Index for sorted species number\n INTEGER IOLD, JOLD ! Index for old species number\n INTEGER IPA, KPA ! I,K index holders for decomp loop 1\n INTEGER IPB, KPB ! I,K index holders for decomp loop 1\n INTEGER IPROD, JP ! Species number of a product\n INTEGER IREACT, IR, JR ! Species number of a reactant\n INTEGER ISP, ISP2 ! Species loop indices\n INTEGER JRE, JPR, IRE ! Indices for nonzero Jacobian entries \n INTEGER JZ3, JZ4 ! Counter for calcs in backsub groupings\n INTEGER NP, IAP ! Product loop indices\n INTEGER NR, IAL, JAL ! Reactant loop indices\n INTEGER IAR ! Pointer to location of PD term\n INTEGER IARRAY2 ! Final # of matrix entries w/ Sp. Mat\n INTEGER ICB ! Counter for # of terms in decomp loop 1\n INTEGER ICBSUM ! Running count of calcs for j index \n ! in decomp loop 1\n INTEGER ICCOUNT ! Two term op count for decomp loop 1\n INTEGER ICNT ! Total op counter for decomp loop 1\n INTEGER ICNTA ! op. counter for decomp loop 1 w/ Sp Mat \n INTEGER ICNTB ! op. counter for decomp loop 1 w/ Sp Mat\n INTEGER IFSUN ! Day/night loop index\n INTEGER IJSTEP ! Number of terms to calc in decomp loops\n INTEGER IMINNEW ! Index holder for sort routine\n INTEGER IMINOLD ! Index holder for sort routine\n INTEGER IPORR ! Species number of a product or reactant\n INTEGER JCB ! Counter for # of terms in decomp loop 2\n INTEGER JCCOUNT ! Two term op count for decomp loop 2\n INTEGER JCNT ! Total op counter for decomp loop 2 \n INTEGER JCNTA ! op. counter for decomp loop 2 w/o Sp Mat\n INTEGER JCNTB ! op. counter for decomp loop 2 w/ Sp Mat\n INTEGER JZ ! Loop index for backsub loops\n INTEGER KA ! Loop index for decomposition loops\n INTEGER KCNT ! op. counter for bksub loop 1 w/ Sp. Mat.\n INTEGER KCNTA ! op. counter for bksub loop 1 w/o Sp Mat\n INTEGER KNTARRAY ! Final # of matrix entries w/o Sp. Mat\n INTEGER KOUNT0 ! Initial # of matrix entries w/ Sp. Mat\n INTEGER KOUNT0A ! Initial # of matrix entries w/o Sp. Mat\n INTEGER KZ ! # of nonzero calcs in backsub loop 1\n INTEGER NCSP ! Mechanism number NCS+1=day NCS+2=night\n INTEGER NK ! Reaction number\n INTEGER NLS ! Number of loss PD terms\n INTEGER NOCHANG ! Count of number of species not reacting\n INTEGER NPR ! Number of prod PD terms\n INTEGER NQQ ! Loop index for Gear order \n INTEGER NRPP ! Reactant plus product loop index\n INTEGER NRX ! Reaction loop index\n INTEGER NU ! Active reaction count holder\n INTEGER MCNT ! op. counter for bksub loop 2 w/ Sp. Mat.\n INTEGER MCNTA ! op. counter for bksub loop 2 w/o Sp. Mat.\n INTEGER MINVALU ! Current number of PD terms in sort\n INTEGER MZ ! # of nonzero calcs in backsub loop 2\n\n!KSPARSE\n\n INTEGER, ALLOCATABLE :: ICLO( : ) ! Pointer to # of ops in decomp loop 1\n INTEGER, ALLOCATABLE :: JCLO( : ) ! Pointer to # of ops in decomp loop 2\n INTEGER, ALLOCATABLE :: IZEROI( : ) ! Pointer to decomp loop 1 i index\n INTEGER, ALLOCATABLE :: IZEROK( : ) ! Pointer to decomp loop 1 k index\n INTEGER, ALLOCATABLE :: JZERO ( : ) ! Pointer to decomp loop 2 i index\n INTEGER, ALLOCATABLE :: IZILCH ( :,: ) ! # of nonzero calcs in decomp loop 1\n INTEGER, ALLOCATABLE :: JZILCH ( :,: ) ! # of nonzero calcs in decomp loop 2\n INTEGER, ALLOCATABLE :: LZERO ( :,: ) ! Symbolic Jacobian matrix\n \n!JSPARSE\n \n INTEGER, ALLOCATABLE :: ISAPORL( : ) ! Count of PD terms for each species\n\n INTEGER, ALLOCATABLE :: ISPARDER( :,: ) ! Indicator of a PD term in the \n ! Jacobian matrix\n INTEGER IOS ! status\n\nc..The following can be uncommented to print symbolic J-matrix\nc integer iglg\nc character(1), allocatable :: ichrout( : )\n\nC*********************************************************************** \nc..The following can be uncommented to print symbolic J-matrix\nc allocate( ichrout( n_spec) )\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Initialize some variables on first call\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( INITIALIZED )THEN\n RETURN\n ELSE\n INITIALIZED = .TRUE.\n END IF \n\n \n\n ALLOCATE( ISAPORL ( NUMB_MECH_SPC ),\n & ISPARDER( NUMB_MECH_SPC,NUMB_MECH_SPC ), \n & STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = '*** Memory allocation failed'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Initialize Prod/loss and PD tabulator arrays\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n NCSP = NCS\n ISAPORL = 0\n ISPARDER = 0\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Set the number of Partial derivative terms in the Jacobian and\nc count the number of terms for each species\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n DO NRX = 1, NRXNS\n DO NR = 1, 3\n IREACT = IRR( NRX,NR )\n IF ( IREACT .NE. 0 ) THEN\n DO NRPP = 1, 3 + MXPRD\n IPORR = IRR( NRX,NRPP )\n IF ( IPORR .NE. 0 ) ISPARDER( IPORR,IREACT ) = 1\n END DO\n END IF\n END DO\n END DO\n\n DO IREACT = 1, NUMB_MECH_SPC \n DO IPORR = 1, NUMB_MECH_SPC\n IF ( ISPARDER( IPORR,IREACT ) .EQ. 1 ) \n & ISAPORL( IPORR ) = ISAPORL( IPORR ) + 1\n END DO\n END DO\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Sort the species, putting all with zero partial derivative \nc terms at the bottom and those with fewest PD terms at top.\nc Set arrays for species with zero PD terms\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n ISCHANG = 0\n NOCHANG = NUMB_MECH_SPC\n DO JOLD = 1, NUMB_MECH_SPC\n IF ( ISAPORL( JOLD ) .GT. 0 ) THEN\n ISCHANG( NCS ) = ISCHANG( NCS ) + 1\n JNEW = ISCHANG( NCS )\n INEW2OLD( JNEW,NCS ) = JOLD\n IOLD2NEW( JOLD,NCS ) = JNEW\n ELSE\n INEW2OLD( NOCHANG,NCS ) = JOLD\n IOLD2NEW( JOLD,NCS ) = NOCHANG\n NOCHANG = NOCHANG - 1\n END IF\n END DO\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Now sort by number of PD terms, fewest at position 1, most at\nc the end position. \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n DO JNEW = 1, ISCHANG( NCS )\nc Uncomment the following three lines to turn off species ordering;\nc not recommended since computational efficiency reduced\n! INEW2OLD( JNEW,NCS ) = JNEW\n! IOLD2NEW( JNEW,NCS ) = JNEW\n! IF ( JNEW .NE. 0 ) GO TO 180\n JOLD = INEW2OLD( JNEW,NCS )\n MINVALU = ISAPORL( JOLD )\n IMINOLD = JOLD\n IMINNEW = JNEW\n\n DO INEW = JNEW + 1, ISCHANG( NCS )\n IOLD = INEW2OLD( INEW,NCS )\n IF ( ISAPORL( IOLD ) .LT. MINVALU ) THEN\n MINVALU = ISAPORL( IOLD )\n IMINOLD = IOLD\n IMINNEW = INEW\n END IF\n END DO\n\n INEW2OLD( IMINNEW,NCS ) = JOLD\n INEW2OLD( JNEW,NCS ) = IMINOLD\n IOLD2NEW( JOLD,NCS ) = IMINNEW\n IOLD2NEW( IMINOLD,NCS ) = JNEW\n END DO\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Fill the irm2 array using the new species order developed above.\nc Also determine active reactions for day and then night (i.e., photo\nc reactions determined by BTEST=.TRUE. are not included for nighttime)\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n NUSERAT = 0\n DO NRX = 1, NRXNS\n DO NR = 1, NREACT( NRX )\n IREACT = IRR( NRX,NR )\n IRM2( NRX,NR,NCS ) = IOLD2NEW( IREACT,NCS ) \n END DO\n\n DO NP = 1, NPRDCT( NRX )\n IPROD = IRR( NRX, NP + 3 )\n IRM2( NRX,NP+3,NCS ) = IOLD2NEW( IPROD,NCS )\n END DO\n \n IF ( NREACT( NRX ) .GT. 0 ) THEN\n NUSERAT( NCS ) = NUSERAT( NCS ) + 1\n NU = NUSERAT( NCS )\n NKUSERAT( NU, NCS ) = NRX\n IF ( .NOT. ( BTEST ( IRXBITS( NRX ),1 ) ) ) THEN\n NUSERAT( NCS + 1 ) = NUSERAT( NCS + 1 ) + 1\n NU = NUSERAT( NCS + 1 )\n NKUSERAT( NU, NCS + 1 ) = NRX\n END IF\n END IF\n END DO\n\n DEALLOCATE( ISAPORL, ISPARDER ) \n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Do symbolic LU decomposition to determine sparse storage array\nc structures. Done twice, first for day and then for night. An entry\nc of 1 in lzero means a non-negative entry in the Jacobian. First\nc put ones on the diagonal and zeroes everywhere else.\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n ALLOCATE( ICLO( NCS2 ),\n & JCLO( NCS2 ),\n & IZEROI( MXCOUNT1 ),\n & IZEROK( MXCOUNT2 ),\n & JZERO ( MXCOUNT1 ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = '*** Memory allocation failed'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n ALLOCATE( LZERO ( NUMB_MECH_SPC,NUMB_MECH_SPC ),\n & IZILCH ( NUMB_MECH_SPC,NCS2 ),\n & JZILCH ( NUMB_MECH_SPC,NCS2 ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = '*** Memory allocation failed'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n \n IZILCH = 0\n JZILCH = 0\n JHIZ1 = 0\n JHIZ2 = 0\n KZILCH = 0\n MZILCH = 0\n\n NDERIVL = 0\n NDERIVP = 0\n \n \n JARRAYPT = 0\n\n IJDECA = 0\n IKDECA = 0\n KJDECA = 0\n\n IJDECB = 0\n IKDECB = 0\n KJDECB = 0\n \n LOOP_SUN: DO IFSUN = 1, 2\n NCSP = IFSUN\n DO I = 1, NUMB_MECH_SPC\n DO J = 1, NUMB_MECH_SPC\n LZERO( J,I ) = 0\n END DO\n LZERO( I,I ) = 1\n END DO\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Fill in the rest of the entries in the Jacobian\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n DO NRX = 1, NUSERAT( NCSP )\n NK = NKUSERAT( NRX,NCSP )\n DO NR = 1, NREACT( NK )\n IRE = IRM2( NK,NR,NCS )\n DO JAL = 1, NREACT( NK )\n JRE = IRM2( NK,JAL,NCS )\n LZERO( JRE,IRE ) = 1\n END DO\n DO IAP = 1, NPRDCT( NK )\n JPR = IRM2( NK,3+IAP,NCS )\n LZERO( JPR,IRE ) = 1 \n END DO\n END DO\n END DO\n \nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Uncomment to print the undecomposed matrix symbolically\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc iglg = 0\nc write( logdev,8200 ) \nc8200 format(//1x,'jacobian ')\nc write( logdev,8211 ) (chemistry_spc(inew2old(j,ncs))(1:1),j=1,n_spec)\nc8211 format( 9x, 40( 2x,A1 ) )\nc write( logdev,8211 ) (chemistry_spc(inew2old(j,ncs))(2:2),j=1,n_spec)\nc write( logdev,8211 ) (chemistry_spc(inew2old(j,ncs))(3:3),j=1,n_spec)\nc write( logdev,8211 ) (chemistry_spc(inew2old(j,ncs))(4:4),j=1,n_spec)\nc write( logdev,8210 ) (i,i=1,ischang(ncs))\nc8210 format( /9x, 40I3 )\nc DO 585 i = 1, ischang( ncs )\nc k = inew2old( i,ncs )\nc DO 584 j=1,n_spec\nc if ( lzero(i,j ) .NE. 0 ) then\nc iglg = iglg + 1\nc ichrout( j ) = 'X'\nc else\nc ichrout( j ) = ' '\nc end if\nc584 continue\nc write( logdev,8220 ) chemistry_spc( k ), i, (ichrout( j ), j=1,n_spec)\nc8220 format( 1x, A4, 1x, I2, 1x, 40( 2x,A1 ) )\nc585 continue\nc write( logdev,8230 ) iglg\nc8230 format( 1x,'Total number of nonzero entries=',I5 )\n \nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Set up arrays for decomposition / back-substitution of sparse \nc matrices by removing all calculations involving a zero. \nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( IFNEVER.EQ.0 ) THEN\n IFNEVER = 1\n ICNT = 0 \n JCNT = 0 \n ICCOUNT = 0\n JCCOUNT = 0\n END IF\n KOUNT0A = 0\n KOUNT0 = 0\n ICNTA = 0\n ICNTB = 0\n JCNTA = 0\n JCNTB = 0\n KCNTA = 0\n MCNTA = 0\n KCNT = 0\n MCNT = 0\n IARRAY2 = 0\n \nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Count number of entries w/ and w/o sparse matrix storage\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc \n DO J = 1, ISCHANG( NCS )\n DO K = 1, ISCHANG( NCS )\n KOUNT0A = KOUNT0A + 1\n IF ( LZERO( J,K ) .EQ. 1 ) KOUNT0 = KOUNT0 + 1\n END DO\n END DO\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Do the symbolic decomposition (ludcmp) converting [A] to [L][U] \nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n ICLO( NCSP ) = ICNT + 1\n JCLO( NCSP ) = JCNT + 1\n DO J = 1, ISCHANG( NCS )\n J1 = J - 1\n \nc... First loop of decomposition\n DO I = 2, ISCHANG( NCS ) \n I1 = J1 \n IF ( I .LE. J1 ) I1 = I - 1\n DO K = 1, I1\n ICNTA = ICNTA + 1\n IF ( LZERO( I,K ) .EQ. 1 .AND. LZERO( K,J ) .EQ. 1 )\n & THEN\n IZILCH( J,NCSP ) = IZILCH( J,NCSP ) + 1\n ICNT = ICNT + 1\n ICNTB = ICNTB + 1\n IZEROK( ICNT ) = K \n IZEROI( ICNT ) = I\n LZERO( I,J ) = 1 \n END IF\n END DO\n END DO\nc... Second loop of decomposition \n DO I = J + 1, ISCHANG( NCS ) \n JCNTA = JCNTA + 1\n IF ( LZERO( I,J ) .EQ. 1 ) THEN\n JZILCH( J,NCSP ) = JZILCH( J,NCSP ) + 1\n JCNT = JCNT + 1\n JCNTB = JCNTB + 1\n JZERO( JCNT ) = I \n END IF\n END DO \n END DO\n \nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Do symbolic back-substition for solving [L][U]{x}={b}. Store data\nc in sparse matrix pointer jarraypt.\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc... First loop of back-substitution\n DO I = 2, ISCHANG( NCS )\n I1 = I - 1\n DO J = 1, I1 \n KCNTA = KCNTA + 1\n IF ( LZERO( I,J ) .EQ. 1 ) THEN \n KZILCH( I,NCSP ) = KZILCH( I,NCSP ) + 1\n KCNT = KCNT + 1\n IARRAY2 = IARRAY2 + 1\n KZERO( IARRAY2,NCSP ) = J\n JARRAYPT( I,J,NCSP ) = IARRAY2 \n END IF\n END DO\n END DO \n\nc... Second loop of back-substitution \n DO I = ISCHANG( NCS ) - 1, 1, -1\n I2 = I + 1\n DO J = I + 1, ISCHANG( NCS )\n MCNTA = MCNTA + 1\n IF ( LZERO( I,J ) .EQ. 1 ) THEN \n MZILCH( I,NCSP ) = MZILCH( I,NCSP ) + 1\n MCNT = MCNT + 1\n IARRAY2 = IARRAY2 + 1\n KZERO( IARRAY2,NCSP ) = J\n JARRAYPT( I,J,NCSP ) = IARRAY2 \n END IF\n END DO\n END DO\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Fill jarraypt with remaining diagonal array points and save counts\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n DO I = 1, ISCHANG( NCS ) \n IARRAY2 = IARRAY2 + 1\n JARRAYPT( I,I,NCSP ) = IARRAY2 \n END DO\n IARRAY( NCSP ) = IARRAY2 \n KNTARRAY = KCNTA + MCNTA + ISCHANG( NCS )\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Do decomposition again to change arrays to use jarraypt\nCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC\n JCB = JCLO( NCSP ) \n JZLO( NCSP ) = JCCOUNT\n ICBSUM = ICLO( NCSP ) - 1 \n IJSTEP = 2 \n\n DO J = 1, ISCHANG( NCS )\n\nc...First loop of decomposition\n IDEC1LO( J,NCSP ) = ICCOUNT + 1\n ICB = ICBSUM + 1\n ICBSUM = ICBSUM + IZILCH( J, NCSP ) \n\n DO KA = 1, IZILCH( J,NCSP ), IJSTEP\n ICCOUNT = ICCOUNT + 1\n IPA = IZEROI( ICB ) \n KPA = IZEROK( ICB ) \n IJDECA( ICCOUNT ) = JARRAYPT( IPA, J,NCSP ) \n IKDECA( ICCOUNT ) = JARRAYPT( IPA,KPA,NCSP )\n KJDECA( ICCOUNT ) = JARRAYPT( KPA, J,NCSP )\n IF ( ICB + 1 .LE. ICBSUM ) THEN\n IPB = IZEROI( ICB + 1 ) \n KPB = IZEROK( ICB + 1 ) \n IJDECB( ICCOUNT ) = JARRAYPT( IPB, J,NCSP ) \n IKDECB( ICCOUNT ) = JARRAYPT( IPB,KPB,NCSP )\n KJDECB( ICCOUNT ) = JARRAYPT( KPB, J,NCSP )\n END IF\n ICB = ICB + IJSTEP \n END DO\n\n IDEC1HI( J,NCSP ) = ICCOUNT \n \nc...Second loop of decomposition\n JZ = JZILCH( J, NCSP )\n\n DO I = 1, JZ - 1, 2\n JCCOUNT = JCCOUNT + 1\n JHIZ1( J,NCSP ) = JHIZ1( J,NCSP ) + 1\n IA = JZERO( JCB )\n IB = JZERO( JCB + 1 )\n JZEROA( JCCOUNT ) = JARRAYPT( IA,J,NCSP )\n JZEROB( JCCOUNT ) = JARRAYPT( IB,J,NCSP )\n JCB = JCB + 2\n END DO\n\n IF ( MOD( JZ,2 ) .EQ. 1 ) THEN \n JCCOUNT = JCCOUNT + 1\n JHIZ2( J,NCSP ) = JHIZ2( J,NCSP ) + 1\n IA = JZERO( JCB )\n JZEROA( JCCOUNT ) = JARRAYPT( IA,J,NCSP )\n JCB = JCB + 1 \n END IF\n END DO\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Group terms to increase efficiency in back-substition\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc... First back-substitution loop\n DO I = 1, ISCHANG( NCS ) \n KZ = KZILCH( I,NCSP )\n KZHI0( I,NCSP ) = KZ - 4 \n JZ3 = 0\n\n DO JZ = 1, KZHI0( I,NCSP ), 5 \n JZ3 = JZ + 4\n END DO \n\n KZLO1( I,NCSP ) = JZ3 + 1\n KZHI1( I,NCSP ) = KZ - 1 \n JZ4 = JZ3 \n\n DO JZ = JZ3 + 1, KZ - 1, 2 \n JZ4 = JZ + 1\n END DO\n\n KZLO2( I,NCSP ) = JZ4 + 1\n END DO\n \nc... Second loop of back-substitution\n DO I = ISCHANG( NCS ), 1, -1\n MZ = MZILCH( I,NCSP ) \n MZHI0( I,NCSP ) = MZ - 4 \n JZ3 = 0 \n\n DO JZ = 1, MZHI0( I,NCSP ), 5 \n JZ3 = JZ + 4 \n END DO\n\n MZLO1( I,NCSP ) = JZ3 + 1\n MZHI1( I,NCSP ) = MZ - 1\n JZ4 = JZ3 \n\n DO JZ = JZ3+1, MZ-1, 2 \n JZ4 = JZ + 1 \n END DO\n\n MZLO2( I,NCSP ) = JZ4 + 1\n END DO\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Check dimensions \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( ICNT .GT. MXCOUNT2 .OR. JCNT .GT. MXCOUNT1 .OR. \n & IARRAY2 .GT. MXARRAY .OR. ICCOUNT .GT. MXCOUNT2 .OR.\n & JCCOUNT .GT. MXARRAY ) THEN\n WRITE( MSG, 94000 ) \n CALL M3MESG( MSG )\n WRITE( MSG, 94020 ) MXCOUNT2, ICNT \n CALL M3MESG( MSG )\n WRITE( MSG, 94040 ) MXCOUNT1, JCNT \n CALL M3MESG( MSG )\n WRITE( MSG, 94060 ) MXARRAY, IARRAY2 \n CALL M3MESG( MSG )\n WRITE( MSG, 94080 ) MXCOUNT2, ICCOUNT \n CALL M3MESG( MSG )\n WRITE( MSG, 94100 ) MXARRAY, JCCOUNT, MAXGL3\n WRITE( LOGDEV,94110 )\n CALL M3MESG( MSG )\n CALL M3EXIT( PNAME, IZERO, IZERO, ' ', XSTAT1 )\n END IF \n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Set final arrays for partial derivative calculations\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n DO NRX = 1, NUSERAT( NCSP )\n NK = NKUSERAT( NRX,NCSP )\n DO IAL = 1, NREACT( NK )\n IR = IRM2( NK,IAL,NCS )\n\n DO JAL = 1, NREACT( NK )\n JR = IRM2( NK,JAL,NCS )\n IAR = JARRAYPT( JR,IR,NCSP )\n NDERIVL( NK,NCSP ) = NDERIVL( NK,NCSP ) + 1\n NLS = NDERIVL( NK,NCSP )\n JARRL( NK,NLS,NCSP ) = IAR\n JLIAL( NK,NLS,NCSP ) = IAL\n NDLMAX = MAX( NLS,NDLMAX )\n END DO\n \n DO IAP = 1, NPRDCT( NK )\n JP = IRM2( NK,IAP+3,NCS )\n IAR = JARRAYPT( JP,IR,NCSP )\n NDERIVP( NK,NCSP ) = NDERIVP( NK,NCSP ) + 1\n NPR = NDERIVP( NK,NCSP )\n JARRP( NK,NPR,NCSP ) = IAR\n JPIAL( NK,NPR,NCSP ) = IAL\n ICOEFF( NK,NPR,NCSP ) = 0\n IF ( ABS( SC( NK,IAP ) - 1.0D0 ) .GT. 1.0D-06 ) THEN\n ICOEFF( NK,NPR,NCSP ) = IAP\n END IF\n NDPMAX = MAX( NPR,NDPMAX )\n END DO\n END DO \n END DO\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Check dimensions of PD arrays\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( NDPMAX .GT. MXRP .OR. NDLMAX .GT. MXRR ) THEN\n WRITE( MSG, 94000 ) \n CALL M3MESG( MSG )\n WRITE( MSG, 94200 ) MXRP, NDPMAX \n CALL M3MESG( MSG )\n WRITE( MSG, 94220 ) MXRR, NDLMAX \n CALL M3MESG( MSG )\n CALL M3EXIT( PNAME, IZERO, IZERO, ' ', XSTAT1 ) \n END IF\n700 END DO LOOP_SUN\n\n DEALLOCATE( ICLO,\n & JCLO,\n & IZEROI,\n & IZEROK,\n & JZERO,\n & LZERO, \n & IZILCH, \n & JZILCH ) \n \n \n \n \n RETURN\n \nC********************** FORMAT STATEMENTS ****************************** \n \n94000 FORMAT( 1X,'One of the dimensions below is too small:')\n94020 FORMAT( 1X,'DIMENSION: MXCOUNT2 = ',I6,' VARIABLE: ICNT = ',I6) \n94040 FORMAT( 1X,'DIMENSION: MXCOUNT1 = ',I6,' VARIABLE: JCNT = ',I6) \n94060 FORMAT( 1X,'DIMENSION: MXARRAY = ',I6,' VARIABLE: IARRAY2 = ',I6) \n94080 FORMAT( 1X,'DIMENSION: MXCOUNT2 = ',I6,' VARIABLE: ICCOUNT = ',I6) \n94100 FORMAT( 1X,'DIMENSION: MXARRAY = ',I6,' VARIABLE: JCCOUNT = ',I6,' MAXGL3 = ',I6 )\n94110 FORMAT( 1X,'NOTE: MXCOUNT[1,2] = NUMB_MECH_SPC * MAXGL3 * 3' )\n94200 FORMAT( 1X,'DIMENSION: MXRP = ',I6,' VARIABLE: NDPMAX = ',I6)\n94220 FORMAT( 1X,'DIMENSION: MXRR = ',I6,' VARIABLE: NDLMAX = ',I6)\n END\n" }, { "path": "CCTM/src/gas/smvgear/GRVARS.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/CCTM/src/gas/smvgear/GRVARS.F,v 1.3 2011/10/21 16:11:12 yoj Exp $\n\n MODULE GRVARS\n\n! USE GRID_CONF, ONLY: BLKSIZE ! horizontal & vertical domain specifications\n USE GRID_CONF ! horizontal & vertical domain specifications\n\n IMPLICIT NONE\n\n\nC......................................................................\nC INCLUDE FILE: GRPARMS.EXT\nC CONTAINS: Dimensioning parameters for Gear solver\nC REVISION HISTORY: Prototype created by Jerry Gipson, June, 1995\nC Revised 3/15/96 by Jerry Gipson to conform to\nC Models-3 minimum IOV configuration.\nC Revised December 1996 by Jerry Gipson to conform\nC to the Models-3 interim CTM that includes emissions\nC in chemistry.\nC Revised April 1997 to distinguish NSPCS from NSPCSD\nC Revised April 1997 to conform to Models-3 framework\nC Modified June, 1997 by Jerry Gipson to be consistent\nC with beta CTM\nC......................................................................\n\nC # of chemical mechanisms used\n INTEGER, PARAMETER :: NCS = 1\n\nC 2 * # of chemical mechanisms\n INTEGER, PARAMETER :: NCS2 = 2 * NCS\n INTEGER, PARAMETER :: MXRCT = 3 ! max no. of reactants\n\nC Maximum # of terms in [P]=[I]-bh[J]\n INTEGER, PARAMETER :: MXARRAY = 5400\n\nC Maximum # prod/loss terms for a species\n INTEGER, PARAMETER :: MAXGL = 150\n\nC A dimension smaller that MAXGL\n INTEGER, PARAMETER :: MAXGL2 = 70\n\nC A dimension smaller MAXGL2\n INTEGER, PARAMETER :: MAXGL3 = 100\n\nC Maximum order possible \n INTEGER, PARAMETER :: MXORDER = 7\n\nC Sparse matrix pointer dimension \n INTEGER :: MXCOUNT1\n\nC Sparse matrix pointer dimension \n INTEGER :: MXCOUNT2\n\nC Sparse matrix pointer dimension \n INTEGER :: MXCOUNT3 \n\nC Sparse matrix pointer dimension\n INTEGER :: MXCOUNT4 \n\nC Maximum # of reactant PD terms\n INTEGER :: MXRR\n\nC Maximum # of product PD terms\n INTEGER :: MXRP \n\n \nC............................ end GRPARMS.EXT .........................\n\nC......................................................................\nC INCLUDE FILE: GRVARS1.EXT\nC CONTAINS: Common block definitions for Gear control data that are \nC set in subroutine GRINIT\nC REVISION HISTORY: Prototype created by Jerry Gipson, June, 1995\nC Revised 3/14/96 by Jerry Gipson to conform to\nC the Models-3 minimum IOV configuration.\nC Revised December 1996 by Jerry Gipson to conform\nC to the Models-3 interim CTM that includes emissions\nC in chemistry.\nC Modified June, 1997 by Jerry Gipson to be consistent\nC with beta CTM\nC 17 Aug 01 by J.Young: split out variables that are\nC intrinsically dependent on NCOLS, NROWS into an f90\nC module\nC......................................................................\n LOGICAL LDEBUG ! Flag to turn on/off debug output\n LOGICAL LDUMPBLK ! Flag to dump IC data for one block\n LOGICAL LDUMPCELL ! Flag to dump IC data for one cell\n LOGICAL LTRACE ! Flag for trace report for one block\n LOGICAL LPERFSMRY ! Flag for Gear summary statistics\n LOGICAL LCELLCONC ! Flag to output cell concentrations\n LOGICAL LREORDER ! Flag to reorder cells for Gear solver\n \nC ldebug option -- output debug report for one run \n INTEGER DBGCOL ! Column number for debug data\n INTEGER DBGROW ! Row number for debug data\n INTEGER DBGLEV ! Layer number for debug data\n INTEGER IBLKBUG ! Block number for debug output \n INTEGER ICPR ! Cell number for cell data output\n INTEGER IRUNBUG ! Run number for debug output\n INTEGER IUNDBG ! Unit number of output file\n INTEGER NPDOUT ! Number for Jacobian evaluation output\n INTEGER NSTEPOUT ! Gear step number for debug output\n INTEGER NSUBOUT ! Number for RHS evaluation output\n \nC ldumpblk option -- output IC data for one block\n INTEGER IBLKBLK ! Block number to output\n INTEGER IRUNBLK ! Run number to output\n INTEGER IUNBIC ! Unit number of output file\n \nC ldumpcell option -- output IC data for one cell \n INTEGER IBLKCELL ! Block number to output\n INTEGER INUMCELL ! Cell number to output\n INTEGER IRUNCELL ! Run number to output\n INTEGER IUNCIC ! Unit number of output file\n \nC ltrace option -- output trace report for one run\n INTEGER IBLKTRC ! Block number to output \n INTEGER IRUNTRC1 ! Run number to output\n INTEGER IRUNTRC2 ! Run number to output\n INTEGER IUNTRC ! Unit number of output file\n \nC lperfsmry option -- output Gear performance report for entire run\n INTEGER IUNPERF ! Unit number for output file\n \nC lcellconc option -- output conc. of one cell at Gear time steps \n INTEGER CCOLOUT ! Column index of cell to output\n INTEGER CLEVOUT ! Layer index of cell to output\n INTEGER CROWOUT ! Row index of cell to output\n INTEGER IRUNPRO1 ! Starting run number for output\n INTEGER IRUNPRO2 ! Ending run number for output\n INTEGER IUNCOUT ! Unit number of output file\n INTEGER NCELL1 ! cell where col, row, lev equal one\n \nC Other variables \n INTEGER NBLKS ! Number of blocks of cells\n\nC real variables\n REAL( 8 ) :: CONCMIN ! Zero threshold used in Gear solver\n REAL( 8 ) :: FRACDEC ! Gear time step reduction factor \n REAL( 8 ) :: HMAXNIT ! Maximum Gear time step for nighttime\n REAL( 8 ) :: HMIN ! Minimum Gear time step\n REAL( 8 ) :: RUNMIN ! Simulation time for lcellconc option\n REAL( 8 ) :: ZBOUND ! Lower bound of zero threshold\n REAL( 8 ) :: ERRMAX ( NCS ) ! Gear relative error tolerance\n REAL( 8 ) :: HMAXDAY( NCS ) ! Maximum Gear time step for daytime\n REAL( 8 ) :: YLOW ( NCS ) ! Gear absolute error tolerance\n\nC........................... end GRVARS1.EXT ..........................\n\nC......................................................................\nC INCLUDE FILE: GRVARS2.EXT\nC CONTAINS: Common block definitions for Gear control data that are \nC set in subroutine GRSPARS\nC REVISION HISTORY: Prototype created by Jerry Gipson, June, 1995.\nC Revised 3/14/96 by Jerry Gipson to conform to\nC the Models-3 minimum IOV configuration.\nC Revised December 1996 by Jerry Gipson to conform\nC to the Models-3 interim CTM that includes emissions\nC in chemistry.\nC Revised April 1997 to distinguish NSPCS from NSPCS\nC Revised April 1997 to conform to Models-3 framework\nC Modified June, 1997 by Jerry Gipson to be consistent\nC with beta CTM\nC......................................................................\n\n INTEGER MAXORD ! Max order allowed\n INTEGER MBETWEEN ! Max # of steps between calls to update\n ! the Jacobian\n INTEGER MSTEP ! Max # of corrector iterations allowed\n INTEGER IARRAY( NCS2 ) ! Number of PD terms in sparse matrix\n INTEGER, ALLOCATABLE, SAVE :: IJDECA( : ) ! Pointer for ij term 1 in decomp loop 1\n INTEGER, ALLOCATABLE, SAVE :: IJDECB( : ) ! Pointer for ij term 2 in decomp loop 1\n INTEGER, ALLOCATABLE, SAVE :: IKDECA( : ) ! Pointer for ik term 1 in decomp loop 1\n INTEGER, ALLOCATABLE, SAVE :: IKDECB( : ) ! Pointer for ik term 2 in decomp loop 1\n INTEGER ISCHANG( NCS ) ! Number of reacting species\n INTEGER JZEROA( MXARRAY ) ! Pointer for j term 1 in decomp loop 2\n INTEGER JZEROB( MXARRAY ) ! Pointer for j term 2 in decomp loop 2\n INTEGER JZLO( NCS2 ) ! # of ops in decomp loop 1\n INTEGER, ALLOCATABLE, SAVE :: KJDECA( : ) ! Pointer for kj term 1 in decomp loop 1\n INTEGER, ALLOCATABLE, SAVE :: KJDECB( : ) ! Pointer for kj term 2 in decomp loop 1\n INTEGER NUSERAT( NCS2 ) ! Number of active reactions in day and\n ! night mechanisms \n \n INTEGER, ALLOCATABLE, SAVE :: IDEC1LO ( :, : ) ! Inner start index for dcmp loop 1\n INTEGER, ALLOCATABLE, SAVE :: IDEC1HI ( :, : ) ! Inner end index for dcmp loop 1\n INTEGER, ALLOCATABLE, SAVE :: INEW2OLD( :, : ) ! Gives sorted species number from\n ! original species number index\n INTEGER, ALLOCATABLE, SAVE :: IOLD2NEW( :, : ) ! Gives original species number \n ! from sorted species number index\n INTEGER, ALLOCATABLE, SAVE :: JHIZ1 ( :, : ) ! # of 2-term groups in dcmp loop 2\n INTEGER, ALLOCATABLE, SAVE :: JHIZ2 ( :, : ) ! # of 1-term groups in dcmp loop 2\n\n INTEGER :: KZERO ( MXARRAY, NCS2 ) ! Pointer to bksub j index \n \n INTEGER, ALLOCATABLE, SAVE :: KZHI0 ( :, : ) ! End index for 5-term bksub loop 1\n INTEGER, ALLOCATABLE, SAVE :: KZHI1 ( :, : ) ! End index for 2-term bksub loop 1\n INTEGER, ALLOCATABLE, SAVE :: KZILCH( :, : ) ! # of calcs in bksub loop 1 (L) \n INTEGER, ALLOCATABLE, SAVE :: KZLO1 ( :, : ) ! Start index for 2-term bksub loop 1\n INTEGER, ALLOCATABLE, SAVE :: KZLO2 ( :, : ) ! Start index for 1-term bksub loop 1\n INTEGER, ALLOCATABLE, SAVE :: MZHI0 ( :, : ) ! End index for 5-term bksub loop 2\n INTEGER, ALLOCATABLE, SAVE :: MZHI1 ( :, : ) ! End index for 2-term bksub loop 2\n INTEGER, ALLOCATABLE, SAVE :: MZILCH( :, : ) ! # of calcs in bksub loop 2 (U)\n INTEGER, ALLOCATABLE, SAVE :: MZLO1 ( :, : ) ! Start index for 2-term bksub loop 2\n INTEGER, ALLOCATABLE, SAVE :: MZLO2 ( :, : ) ! Start index for 1-term bksub loop 2\n \n INTEGER, ALLOCATABLE, SAVE :: NDERIVL ( :, : ) ! # of loss PD terms per reaction\n INTEGER, ALLOCATABLE, SAVE :: NDERIVP ( :, : ) ! # of prod PD terms per reaction\n INTEGER, ALLOCATABLE, SAVE :: NKUSERAT( :, : ) ! Rxn numbers of active reactions\n ! in day and night \n\n INTEGER, ALLOCATABLE, SAVE :: IRM2 ( :,:,: ) ! Species rxn array\n INTEGER, ALLOCATABLE, SAVE :: ICOEFF( :,:,: ) ! stoich coeff indx\n INTEGER, ALLOCATABLE, SAVE :: JARRL( :,:,: ) ! Pntr to PD Loss term\n INTEGER, ALLOCATABLE, SAVE :: JARRP( :,:,: ) ! Pntr to PD Prod term\n INTEGER, ALLOCATABLE, SAVE :: JLIAL( :,:,: ) ! Spec # for PD loss term\n INTEGER, ALLOCATABLE, SAVE :: JPIAL( :,:,: ) ! Spec # for PD prod term \n \n INTEGER, ALLOCATABLE, SAVE :: JARRAYPT( :, :, : ) ! Pointer to location of the\n ! PD terms in the 1D vector\n \n REAL( 8 ) :: CONP15( MXORDER ) ! Gear parameters used in convergence test\n REAL( 8 ) :: CONPST( MXORDER ) ! Gear parameters used in convergence test\n REAL( 8 ) :: ENQQ1 ( MXORDER ) ! Gear coefficients used to select order \n REAL( 8 ) :: ENQQ2 ( MXORDER ) ! and step size\n REAL( 8 ) :: ENQQ3 ( MXORDER ) !\n REAL( 8 ) :: ASET( 10, 8 ) ! Gear parameters for calculating [P] and\n ! and determining the order\n\n REAL( 8 ) :: PERTST( MXORDER, 3 ) ! Gear coefficients used to select order and step size\n DATA PERTST / ! (7,3)\n & 2.0D0, 4.5D0, 7.333D0, 10.42D0, 13.7D0, 17.15D0, 1.0D0,\n & 3.0D0, 6.0D0, 9.167D0, 12.5D0, 15.98D0, 1.0D0, 1.0D0,\n & 1.0D0, 1.0D0, 0.5D0, 0.1667D0, 0.04133D0, 0.008267D0, 1.0D0 /\n\nC......................................................................\nC INCLUDE FILE: GRVARS3.EXT\nC CONTAINS: Common block definitions for Gear data that are set in \nC in the solver subroutines\nC REVISION HISTORY: Prototype created by Jerry Gipson, June, 1995.\nC Revised 3/14/96 by Jerry Gipson to conform to\nC the Models-3 minimum IOV configuration.\nC Revised December 1996 by Jerry Gipson to conform\nC to the Models-3 interim CTM that includes emissions\nC in chemistry.\nC Revised April 1997 to distinguish NSPCS from NSPCS\nC Revised April 1997 to conform to Models-3 framework\nC Modified June, 1997 by Jerry Gipson to be consistent\nC with beta CTM\nC 17 Aug 01 by J.Young: split out variables that are\nC intrinsically dependent on NCOLS, NROWS into an f90\nC module\nC......................................................................\n\n LOGICAL LCONCOUT ! Flag to turn on cell conc. output\n LOGICAL LORDERING ! Flag to indicate cell ordering on\n LOGICAL LSUNLIGHT ! Flag for daytime\n LOGICAL LTRCOUT ! Flag to turn on Trace output\n\n INTEGER BLKID ! Number of block being processed\n INTEGER CELLOUT ! Number of cell to output concentrations\n INTEGER IRSTART ! Number of restarts at beginning\n INTEGER ISCHAN ! Number of species in [P]\n INTEGER OFFSET ! Pointer for start cell number in block\n INTEGER MXORDUSED ! Maximum order used\n INTEGER NCFAIL ! Number of convergence failures\n INTEGER NCSP ! Day/night mechanism index;\n ! = NCS ===>day; = NCS+1 ===>night \n INTEGER NEFAIL ! Number of error test failures\n INTEGER NPDERIV ! Number of Jacobian updates\n INTEGER NSTEPS ! Number of steps used\n INTEGER NSUBFUN ! Number of RHS evaluations\n INTEGER NUMBKUPS ! Number of backups\n INTEGER NUMCELLS ! Number of cells in block being processed\n INTEGER NUMNEWT ! Number of iterations\n\n REAL( 8 ) :: HMAX ! Maximum Gear time step (min)\n REAL( 8 ) :: R1DELT ! Time step times Gear coefficient\n\n REAL( 8 ), ALLOCATABLE, SAVE :: BLKTEMP( : ) ! Cell temp, deg K\n REAL( 8 ), ALLOCATABLE, SAVE :: BLKPRES( : ) ! Cell press, Pa\n REAL( 8 ), ALLOCATABLE, SAVE :: BLKCH2O( : ) ! Cell water conc, ppm\n REAL( 8 ), ALLOCATABLE, SAVE :: BLKDENS( : ) ! Cell air denisty, kg/m^3\n REAL, ALLOCATABLE, SAVE :: BLKSVOL( : ) ! Cell air specific volume, m^3/kg\n REAL( 8 ), ALLOCATABLE, SAVE :: RJBLK( :,: ) ! J-values for each cell in block\n REAL( 8 ), ALLOCATABLE, SAVE :: BLKHET( :, : ) ! heterogeneous rate in block \n REAL( 8 ), ALLOCATABLE, SAVE :: BLKSEAWATER( : ) ! fractional area of OPEN+SURF\n\n REAL( 8 ), ALLOCATABLE, SAVE :: BLKCONC( :, : ) ! Species conc. for cells in block\n ! in original species order (ppm) \n REAL( 8 ), ALLOCATABLE, SAVE :: CNEW( :, : ) ! Species conc. for cells in block\n#ifdef sens\n REAL( 8 ), ALLOCATABLE :: CAVEG( :,: ) ! Average species concentrations over time step\n REAL( 8 ), ALLOCATABLE :: CINIT( :,: ) ! species concentrations at start of subtime step\n REAL( 8 ), ALLOCATABLE :: CFINI( :,: ) ! species concentrations at start of subtime step\n#endif\n \n ! in sorted species order (ppm)\n REAL( 8 ), ALLOCATABLE, SAVE :: EMBLK( :, : ) ! Species emissions in each cell\n REAL( 8 ), ALLOCATABLE, SAVE :: GLOSS( :, : ) ! dc/dt for each species (i.e., RHS)\n REAL( 8 ), ALLOCATABLE, SAVE :: VDIAG( :, : ) ! L-U Diagonal terms \n \n REAL( 8 ) :: CC2( BLKSIZE, 0:MXARRAY ) ! Array holding Jacobian\n\n REAL( 8 ), ALLOCATABLE, SAVE :: RK ( :,: ) ! Rate constants \n REAL( 8 ), ALLOCATABLE, SAVE :: RXRAT( :,: ) ! Reaction rates for each cell\n\n\n REAL, ALLOCATABLE, SAVE :: FORWARD_CONV( : ) ! CGRID to CHEM Species conversion factor \n REAL( 8 ), ALLOCATABLE, SAVE :: REVERSE_CONV( : ) ! CHEM to CGRID Species conversion factor\n\nC........................... end GRVARS3.EXT ..........................\n\nC.......................................................................\nC MODULE GRVARS\nC smvgear variables that are dependent on NCOLS, NROWS\nC Revision History: J.Young 17 Aug 01: create\nC J.Young 31 Jan 05: get MXCELLS from dyn alloc horizontal\nC & vertical domain specifications module (GRID_CONF)\nC 29 Jul 05 WTH: added variable used by degrade routines.\nC 29 Mar 11 S.Roselle: Replaced I/O API include files \nC with UTILIO_DEFN\nC 15 Jul 14 B.Hutzell: 1) replaced mechanism include files with \nC RXNS_DATA module, 2) inserted call to function MAP_CHEMISTRY_SPECIES \nC RXNS_FUNCTION module, 3) changed several array declarations from fixed\nC to allocatable dimensions, and 4) inserted do loop that calculates species\nC unit conversion factors based on species type\nC.......................................................................\nC Column index of ordered cells\n INTEGER, ALLOCATABLE, SAVE :: CCOL( : )\nC Row index for ordered cells\n INTEGER, ALLOCATABLE, SAVE :: CROW( : )\nC Layer index of ordered cells\n INTEGER, ALLOCATABLE, SAVE :: CLEV( : )\nC Cell number offset for each block\n INTEGER, ALLOCATABLE, SAVE :: BLKCNO( : )\nC Number of cells in each block\n INTEGER, ALLOCATABLE, SAVE :: BLKLEN( : )\n\nC Original cell number of ordered cell index\n INTEGER, ALLOCATABLE, SAVE :: NORDCELL( : )\nC Estimated stiffness of each cell\n REAL( 8 ), ALLOCATABLE, SAVE :: ERRMX2( : )\n\n LOGICAL, SAVE :: CALL_DEG = .FALSE. ! WTH: SWITCH for calling DEGRADE routine\n\n CONTAINS\n\n SUBROUTINE GRVARS_INIT( JDATE, JTIME )\n\n USE RXNS_DATA\n USE UTILIO_DEFN\n USE RXNS_FUNCTION\n\n IMPLICIT NONE\n\nC.....Includes:\n INCLUDE SUBST_CONST ! common constants\n\n INTEGER, INTENT( IN ) :: JDATE, JTIME\n INTEGER :: IOS, N\n CHARACTER( 16 ) :: PNAME = 'GRVARS_INIT' ! Procedure name\n CHARACTER( 96 ) :: MSG = ' '\n\nC-----------------------------------------------------------------------\n\n MXCOUNT1 = NUMB_MECH_SPC * MAXGL3 * 3\n MXCOUNT2 = NUMB_MECH_SPC * MAXGL3 * 3\n\n MXCOUNT3 = NRXNS * 4\n MXCOUNT4 = NRXNS * 5\n\n MXRR = 3 * 3\n\n MXRP = 3 * MXPRD\n\n ALLOCATE ( IJDECA( MXCOUNT2 ),\n & IJDECB( MXCOUNT2 ),\n & IKDECA( MXCOUNT2 ),\n & IKDECB( MXCOUNT2 ),\n & KJDECA( MXCOUNT2 ),\n & KJDECB( MXCOUNT2 ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = '*** Memory allocation failed for '\n & // 'IJDECA, IJDECB, IKDECA, IKDECB, KJDECA,or KJDECB'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT2 )\n END IF\n IJDECA = 0 ! array assignment\n IJDECB = 0 ! array assignment\n IKDECA = 0 ! array assignment\n IKDECB = 0 ! array assignment\n KJDECA = 0 ! array assignment\n KJDECB = 0 ! array assignment\n\n ALLOCATE ( IDEC1LO ( NUMB_MECH_SPC, NCS2 ),\n & IDEC1HI ( NUMB_MECH_SPC, NCS2 ),\n & INEW2OLD( NUMB_MECH_SPC, NCS ),\n & IOLD2NEW( NUMB_MECH_SPC, NCS ),\n & JHIZ1 ( NUMB_MECH_SPC, NCS2 ),\n & JHIZ2 ( NUMB_MECH_SPC, NCS2 ),\n & KZHI0 ( NUMB_MECH_SPC, NCS2 ),\n & KZHI1 ( NUMB_MECH_SPC, NCS2 ),\n & KZILCH ( NUMB_MECH_SPC, NCS2 ),\n & KZLO1 ( NUMB_MECH_SPC, NCS2 ),\n & KZLO2 ( NUMB_MECH_SPC, NCS2 ),\n & MZHI0 ( NUMB_MECH_SPC, NCS2 ),\n & MZHI1 ( NUMB_MECH_SPC, NCS2 ),\n & MZILCH ( NUMB_MECH_SPC, NCS2 ),\n & MZLO1 ( NUMB_MECH_SPC, NCS2 ),\n & MZLO2 ( NUMB_MECH_SPC, NCS2 ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = '*** Memory allocation failed for'\n & // 'IDEC1LO, IDEC1HI, INEW2OLD, IOLD2NEW, JHIZ1, JHIZ2, '\n & // 'KZHI0, KZHI1, KZILCH, KZLO1, KZLO2, '\n & // 'MZHI0, MZHI1, MZILCH, MZLO1, or MZLO2'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT2 )\n END IF\n\n ALLOCATE ( JARRAYPT( NUMB_MECH_SPC, NUMB_MECH_SPC, NCS2 ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = '*** Memory allocation failed for JARRAYPT'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT2 )\n END IF\n JARRAYPT = 0 ! array assignment\n\n ALLOCATE ( BLKCONC( BLKSIZE, NUMB_MECH_SPC ),\n & CNEW ( BLKSIZE, NUMB_MECH_SPC ),\n & EMBLK ( BLKSIZE, NUMB_MECH_SPC ),\n & GLOSS ( BLKSIZE, NUMB_MECH_SPC ),\n & VDIAG ( BLKSIZE, NUMB_MECH_SPC ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = '*** Memory allocation failed for '\n & // 'BLKCONC, CNEW, EMBLK, GLOSS, or VDIAG'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT2 )\n END IF\n\n#ifdef sens\n ALLOCATE( CINIT( BLKSIZE,NUMB_MECH_SPC ),\n & CFINI( BLKSIZE,NUMB_MECH_SPC ),\n & CAVEG( BLKSIZE,NUMB_MECH_SPC ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'ERROR allocating CINIT,CFINI,CAVEG'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT2 )\n END IF\n#endif\n\n ALLOCATE ( CCOL( MXCELLS ),\n & CROW( MXCELLS ),\n & CLEV( MXCELLS ),\n & BLKCNO( MXBLKS ),\n & BLKLEN( MXBLKS ),\n & NORDCELL( MXCELLS ),\n & ERRMX2( MXCELLS ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = '*** Memory allocation failed for'\n & // ' CCOL, CROW, CLEV, BLKCNO, BLKLEN, NORDCELL, or ERRMX2'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT2 )\n END IF\n\nc..cell & solver data\n ALLOCATE( BLKTEMP( BLKSIZE ),\n & BLKPRES( BLKSIZE ),\n & BLKCH2O( BLKSIZE ),\n & BLKDENS( BLKSIZE ),\n & BLKSVOL( BLKSIZE ), \n & BLKSEAWATER( BLKSIZE ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'ERROR allocating BLKTEMP, BLKPRES, BLKCH2O, BLKDENS, '\n & // 'BLKSVOL, BLKSEAWATER '\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n\n\n ALLOCATE( RJBLK( BLKSIZE,NPHOTAB ),\n & BLKHET( BLKSIZE, NHETERO ), STAT = IOS ) \n IF ( IOS .NE. 0 ) THEN\n MSG = 'ERROR allocating RJBLK or BLKHET'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n\n ALLOCATE( FORWARD_CONV( NUMB_MECH_SPC ),\n & REVERSE_CONV( NUMB_MECH_SPC ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'ERROR allocating FORWARD_CONV or REVERSE_CONV'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n\n IF( .NOT. MAP_CHEMISTRY_SPECIES() )THEN\n MSG = 'Detected above error(s) when mapping Chemistry species from CGRID species'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n\n DO N = 1, NUMB_MECH_SPC\n FORWARD_CONV( N ) = 1.0E-3 * MWAIR / REAL( SPECIES_MOLWT( N ) )\n REVERSE_CONV( N ) = REAL( 1.0 / FORWARD_CONV( N ), 8 )\n END DO\n\n ALLOCATE( NKUSERAT( NRXNS,NCS2 ),\n & NDERIVL ( NRXNS,NCS2 ),\n & NDERIVP ( NRXNS,NCS2 ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'ERROR allocating NKUSERAT, NDERIVL or NDERIVP'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n\n ALLOCATE( RK( BLKSIZE,NRXNS ),\n & RXRAT( BLKSIZE,NRXNS ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'ERROR allocating RK or RXRAT'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n \n ALLOCATE( JARRL( MXRR,NRXNS,NCS2 ),\n & JARRP( MXRP,NRXNS,NCS2 ),\n & JLIAL( MXRR,NRXNS,NCS2 ),\n & JPIAL( MXRP,NRXNS,NCS2 ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'ERROR allocating JARRL, JARRP, JLIAL, or JPIAL'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n\n ALLOCATE( IRM2( MXRCT+MXPRD,NRXNS,NCS2 ),\n & ICOEFF( MXRP,NRXNS,NCS2 ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'ERROR allocating IRM2 or ICOEFF'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n\n END SUBROUTINE GRVARS_INIT\n SUBROUTINE OPTIMAL_ATOL_PPM( YP, NUMCELLS, YP_ABST )\n \n USE UTILIO_DEFN\n USE RXNS_DATA\n \n \n IMPLICIT NONE\n! arguments:\n REAL( 8 ), INTENT( IN ) :: YP( :,: )\n INTEGER, INTENT( IN ) :: NUMCELLS \n REAL( 8 ), INTENT( INOUT ) :: YP_ABST( : )\n! local: \n REAL( 8 ), PARAMETER :: MASS_TO_NUMBER = 2.079267D19 ! coefficient to air mass (kg/m3) to number density (molec/cm3)\n REAL( 8 ), PARAMETER :: COEFF1 = 1.0D-6 * MASS_TO_NUMBER ! coefficient to convert ppm to molec/cm3\n REAL( 8 ), PARAMETER :: COEFF2 = 1.0D0 / COEFF1 ! coefficient to convert molec/cm3 to ppm \n REAL( 8 ), PARAMETER :: COEFF1_STP = 2.54103D13\n \n INTEGER, PARAMETER :: NBINS = 5\n REAL( 8 ), SAVE :: ATOL_LEVEL( NBINS + 1 )\n REAL( 8 ), SAVE :: ATOL_FLOOR\n \n INTEGER, ALLOCATABLE, SAVE :: SPECIES_CUTOFF( : )\n INTEGER, ALLOCATABLE, SAVE :: BIN_COUNTS( :,: ) \n INTEGER, ALLOCATABLE, SAVE :: CUM_COUNTS( :,: ) \n \n LOGICAL, SAVE :: FIRST_CALL = .TRUE.\n \n INTEGER :: I \n INTEGER :: JSPC \n INTEGER :: NCELL\n INTEGER :: NBIN\n \n REAL( 8 ) :: ABHI\n REAL( 8 ) :: ABLO\n \n CHARACTER( 82 ) :: XMSG\n\n IF ( FIRST_CALL ) THEN \n! ensure GEAR_MAX_ATOL is greater than GEAR_MAX_ATOL\n IF( GEAR_MAX_ATOL .LE. GEAR_MIN_ATOL )THEN\n XMSG = \"GEAR_MAX_ATOL must be greater than GEAR_MIN_ATOL\"\n CALL M3EXIT( 'OPTIMAL_ATOL_PPM', 0, 0, XMSG, XSTAT2 )\n END IF\n\n! set absolute tolerance bins\n ABHI = LOG10( REAL( GEAR_MAX_ATOL,8 ) ) \n ABLO = LOG10( REAL( GEAR_MIN_ATOL,8 ) ) \n! \n ATOL_LEVEL( 1 ) = 10.0D0**ABHI\n ATOL_LEVEL( NBINS + 1 ) = 10.0D0**ABLO\n ATOL_FLOOR = REAL( GEAR_CONC_FLOOR,8 ) \n! ensure GEAR_MAX_ATOL is greater than GEAR_MAX_ATOL\n IF( GEAR_MIN_ATOL .LE. GEAR_CONC_FLOOR )THEN\n XMSG = \"GEAR_MIN_ATOL must be greater than GEAR_CONC_FLOOR\"\n CALL M3EXIT( 'OPTIMAL_ATOL_PPM', 0, 0, XMSG, XSTAT2 )\n END IF\n\n DO I = 2, NBINS\n ATOL_LEVEL(I) = 10.0D0**(ABLO + (ABHI - ABLO) * REAL( (NBINS-I+1),8 ) / REAL( NBINS,8 ) )\n END DO\n ALLOCATE ( BIN_COUNTS( BLKSIZE,NBINS+1 ),\n & CUM_COUNTS( BLKSIZE,NBINS+1 ),\n & SPECIES_CUTOFF( BLKSIZE ) )\n FIRST_CALL = .FALSE. \n SPECIES_CUTOFF = INT( 0.4E0 * REAL( NUMB_MECH_SPC ) ) \n END IF\n \n! *********************************************************************\n! determine initial absolute error tolerance \n! *********************************************************************\n! iabovk = number of species whose concentrations are larger than yabst\n! BIN_COUNTS = counts number of concentrations above ATOL_LEVEL(i), i = 1.. \n! yabst = absolute error tolerance (ppm) \n! abtol = pre-defined absolute error tolerances \n!\n BIN_COUNTS = 0\n CUM_COUNTS = 0\n! \n DO JSPC = 1, NUMB_MECH_SPC\n DO NCELL = 1, NUMCELLS\n IF (YP(NCELL,JSPC).GE.ATOL_LEVEL(1)) THEN\n\n BIN_COUNTS(NCELL,1) = BIN_COUNTS(NCELL,1) + 1\n\n ELSE IF (YP(NCELL,JSPC).GE.ATOL_LEVEL(2)) THEN\n\n BIN_COUNTS(NCELL,2) = BIN_COUNTS(NCELL,2) + 1\n\n ELSE IF (YP(NCELL,JSPC).GE.ATOL_LEVEL(3)) THEN\n\n BIN_COUNTS(NCELL,3) = BIN_COUNTS(NCELL,3) + 1\n\n ELSE IF (YP(NCELL,JSPC).GE.ATOL_LEVEL(4)) THEN\n\n BIN_COUNTS(NCELL,4) = BIN_COUNTS(NCELL,4) + 1\n\n ELSE IF (YP(NCELL,JSPC).GE.ATOL_LEVEL(5)) THEN\n\n BIN_COUNTS(NCELL,5) = BIN_COUNTS(NCELL,5) + 1\n\n ELSE IF (YP(NCELL,JSPC).GE.ATOL_FLOOR)THEN\n\n BIN_COUNTS(NCELL,6) = BIN_COUNTS(NCELL,6) + 1\n\n ENDIF\n END DO ! JSPC\n END DO ! NCELL\n \n DO NCELL = 1, NUMCELLS\n\n!\n CUM_COUNTS(NCELL,1) = BIN_COUNTS(NCELL,1)\n\n CUM_COUNTS(NCELL,2) = BIN_COUNTS(NCELL,2)\n & + CUM_COUNTS(NCELL,1)\n\n CUM_COUNTS(NCELL,3) = BIN_COUNTS(NCELL,3)\n & + CUM_COUNTS(NCELL,2)\n\n CUM_COUNTS(NCELL,4) = BIN_COUNTS(NCELL,4)\n & + CUM_COUNTS(NCELL,3)\n\n CUM_COUNTS(NCELL,5) = BIN_COUNTS(NCELL,5)\n & + CUM_COUNTS(NCELL,4)\n\n CUM_COUNTS(NCELL,6) = BIN_COUNTS(NCELL,6)\n & + CUM_COUNTS(NCELL,5)\n\n SPECIES_CUTOFF( NCELL ) = INT( 0.4E0 * REAL(CUM_COUNTS(NCELL,6)) )\n END DO\n\n\n! YP_ABST = ATOL_LEVEL(6)\n DO NCELL = 1, NUMCELLS\n IF (CUM_COUNTS(NCELL,1).GT.SPECIES_CUTOFF(NCELL)) THEN\n YP_ABST(NCELL) = ATOL_LEVEL(1)\n NBIN = 1\n ELSE IF (CUM_COUNTS(NCELL,2).GT.SPECIES_CUTOFF(NCELL) ) THEN\n YP_ABST(NCELL) = ATOL_LEVEL(2)\n NBIN = 2\n ELSE IF (CUM_COUNTS(NCELL,3).GT.SPECIES_CUTOFF(NCELL) ) THEN\n YP_ABST(NCELL) = ATOL_LEVEL(3)\n NBIN = 3\n ELSE IF (CUM_COUNTS(NCELL,4).GT.SPECIES_CUTOFF(NCELL) ) THEN\n YP_ABST(NCELL) = ATOL_LEVEL(4)\n NBIN = 4\n ELSE IF (CUM_COUNTS(NCELL,5).GT.SPECIES_CUTOFF(NCELL) ) THEN\n YP_ABST(NCELL) = ATOL_LEVEL(5)\n NBIN = 5\n ELSE\n YP_ABST(NCELL) = ATOL_LEVEL(6)\n NBIN = 6\n ENDIF\n END DO ! NCELL\n \n RETURN\n \n END SUBROUTINE OPTIMAL_ATOL_PPM\n\n END MODULE GRVARS\n" }, { "path": "CCTM/src/gas/smvgear/grbacksub.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/CCTM/src/gas/smvgear/grbacksub.F,v 1.2 2011/10/21 16:11:13 yoj Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC @(#)grbacksub.F 1.1 /project/mod3/CMAQ/src/chem/smvgear/SCCS/s.grbacksub .F 07 Jul 1997 12:45:20\n\n SUBROUTINE BACKSUB\n\nC**********************************************************************\nC\nC FUNCTION: To solve the set of linear simultaneous equations of the\nC form [A]{x}={b} using the decomposed lower and upper\nC triangular matrices [L] and [U]. The subroutine first \nC solves for {c} in [L]{c}={b}, and then for {x} in\nC [U]{x}={c}.\nC\nC PRECONDITIONS: Subroutine DECOMP must have been called\nC \nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Prototype created by Jerry Gipson, June, 1995.\nC Based on the code originally developed by \nC M. Jacobson, (Atm. Env., Vol 28, No 2, 1994).\nC Revised 3/14/96 by Jerry Gipson to conform to\nC the Models-3 minimum IOV configuration.\nC Revised December 1996 by Jerry Gipson to conform\nC to the Models-3 interim CTM that includes emissions\nC in chemistry.\nC Modified June, 1997 by Jerry Gipson to be consistent\nC with beta CTM\nC Modified September, 1997 by Jerry Gipson to be \nC consistent with the targetted CTM\nC 16 Aug 01 J.Young: Use HGRD_DEFN\nC 31 Jan 05 J.Young: get BLKSIZE from dyn alloc horizontal\nC & vertical domain specifications module (GRID_CONF)\nC 28 Jun 10 J.Young: remove unnecessary modules and includes\nC***********************************************************************\n\n USE GRVARS ! inherits GRID_CONF\n\n IMPLICIT NONE\n \nC..INCLUDES: None\n \nC..ARGUMENTS: None\n\nC..PARAMETERS: None\n\nC..EXTERNAL FUNCTIONS: None\n\nC..SAVED LOCAL VARIABLES: None\n\nC..SCRATCH LOCAL VARIABLES:\n INTEGER I ! Loop index for number of species\n INTEGER IJ ! Counter of # of terms summed\n INTEGER IJ0,IJ1,IJ2, ! Pointers to loaction of ij entries in\n & IJ3,IJ4 ! decomposed matrix\n INTEGER J,J1,J2,J3,J4 ! Pointers to species # for dc/dt\n INTEGER JZ ! Loop index inner backsub loops\n INTEGER NCELL ! Loop index for number of cells\n\nC***********************************************************************\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Back-substition loop 1\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IJ = 1 \n DO 80 I = 1, ISCHAN\n \nc.....sum 5 terms at a time\n DO JZ = 1, KZHI0( I, NCSP ), 5 \n IJ0 = IJ \n IJ1 = IJ + 1\n IJ2 = IJ + 2 \n IJ3 = IJ + 3 \n IJ4 = IJ + 4 \n J = KZERO( IJ0, NCSP )\n J1 = KZERO( IJ1, NCSP )\n J2 = KZERO( IJ2, NCSP )\n J3 = KZERO( IJ3, NCSP )\n J4 = KZERO( IJ4, NCSP )\n IJ = IJ + 5 \n DO NCELL = 1, NUMCELLS\n GLOSS( NCELL,I ) = GLOSS( NCELL, I )\n & - CC2( NCELL, IJ0 ) * GLOSS( NCELL, J )\n & - CC2( NCELL, IJ1 ) * GLOSS( NCELL, J1 )\n & - CC2( NCELL, IJ2 ) * GLOSS( NCELL, J2 )\n & - CC2( NCELL, IJ3 ) * GLOSS( NCELL, J3 )\n & - CC2( NCELL, IJ4 ) * GLOSS( NCELL, J4 )\n END DO\n END DO\n \nc.....sum 2 terms at a time\n DO JZ = KZLO1( I, NCSP ), KZHI1( I, NCSP ), 2 \n IJ0 = IJ \n IJ1 = IJ + 1\n J = KZERO( IJ0, NCSP )\n J1 = KZERO( IJ1, NCSP )\n IJ = IJ + 2 \n DO NCELL = 1, NUMCELLS\n GLOSS( NCELL, I ) = GLOSS( NCELL, I )\n & - CC2( NCELL,IJ0 ) * GLOSS( NCELL, J )\n & - CC2( NCELL,IJ1 ) * GLOSS( NCELL, J1 )\n END DO\n END DO\n \nc.....sum 1 term at a time\n DO JZ = KZLO2( I, NCSP ), KZILCH( I, NCSP ) \n IJ0 = IJ\n J = KZERO( IJ0, NCSP )\n IJ = IJ + 1 \n DO NCELL = 1, NUMCELLS\n GLOSS( NCELL, I ) = GLOSS( NCELL, I )\n & - CC2( NCELL, IJ0 ) * GLOSS( NCELL, J )\n END DO\n END DO\n\n80 CONTINUE\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Back-substitution loop 2\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n DO 180 I = ISCHAN, 1, -1\n\nc...sum 5 terms at a time\n DO JZ = 1, MZHI0( I, NCSP ), 5 \n IJ0 = IJ\n IJ1 = IJ + 1\n IJ2 = IJ + 2 \n IJ3 = IJ + 3 \n IJ4 = IJ + 4 \n J = KZERO( IJ0, NCSP )\n J1 = KZERO( IJ1, NCSP )\n J2 = KZERO( IJ2, NCSP )\n J3 = KZERO( IJ3, NCSP )\n J4 = KZERO( IJ4, NCSP )\n IJ = IJ + 5\n DO NCELL = 1, NUMCELLS\n GLOSS( NCELL, I ) = GLOSS( NCELL, I )\n & - CC2( NCELL, IJ0 ) * GLOSS( NCELL, J ) \n & - CC2( NCELL, IJ1 ) * GLOSS( NCELL, J1 )\n & - CC2( NCELL, IJ2 ) * GLOSS( NCELL, J2 )\n & - CC2( NCELL, IJ3 ) * GLOSS( NCELL, J3 )\n & - CC2( NCELL, IJ4 ) * GLOSS( NCELL, J4 )\n END DO\n END DO\n \nc...sum 2 terms at a time \n DO JZ = MZLO1( I, NCSP ), MZHI1( I, NCSP ), 2 \n IJ0 = IJ \n IJ1 = IJ + 1\n J = KZERO( IJ0, NCSP )\n J1 = KZERO( IJ1, NCSP )\n IJ = IJ + 2 \n DO NCELL = 1, NUMCELLS\n GLOSS( NCELL, I ) = GLOSS( NCELL, I )\n & - CC2( NCELL, IJ0 ) * GLOSS( NCELL, J ) \n & - CC2( NCELL, IJ1 ) * GLOSS( NCELL, J1 ) \n END DO\n END DO\n \nc...sum 1 term at a time\n DO JZ = MZLO2( I, NCSP ), MZILCH( I, NCSP ) \n IJ0 = IJ \n J = KZERO( IJ0, NCSP )\n IJ = IJ + 1 \n DO NCELL = 1, NUMCELLS\n GLOSS( NCELL, I ) = GLOSS( NCELL, I )\n & - CC2( NCELL, IJ0 ) * GLOSS( NCELL, J ) \n END DO\n END DO\n\nc...adjust diagonal element\n DO NCELL = 1, NUMCELLS\n GLOSS( NCELL, I ) = GLOSS( NCELL, I ) * VDIAG( NCELL, I )\n END DO\n\n180 CONTINUE\n \n RETURN\n END\n\n" }, { "path": "CCTM/src/gas/smvgear/grdecomp.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/CCTM/src/gas/smvgear/grdecomp.F,v 1.3 2011/10/21 16:11:14 yoj Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC @(#)grdecomp.F 1.1 /project/mod3/CMAQ/src/chem/smvgear/SCCS/s.grdecomp. F 07 Jul 1997 12:45:23\n\n SUBROUTINE DECOMP\n\nC***********************************************************************\nC\nC FUNCTION: To decompose the matrix [P] into lower- and upper\nC triangular form to facilitate solution of the set of \nC linear simultaneous equations of the form [A]{x}={b}.\nC\nC PRECONDITIONS: None\nC \nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Prototype created by Jerry Gipson, June, 1995.\nC Based on the code originally developed by \nC M. Jacobson, (Atm. Env., Vol 28, No 2, 1994).\nC Revised 3/14/96 by Jerry Gipson to conform to\nC the Models-3 minimum IOV configuration\nC Revised December 1996 by Jerry Gipson to conform\nC to the Models-3 interim CTM that includes emissions\nC in chemistry.\nC Modified June, 1997 by Jerry Gipson to be consistent\nC with beta CTM\nC Modified September, 1997 by Jerry Gipson to be\nC consistent with the targetted CTM\nC 16 Aug 01 J.Young: Use HGRD_DEFN\nC 31 Jan 05 J.Young: get BLKSIZE from dyn alloc horizontal\nC & vertical domain specifications module (GRID_CONF)\nC 30 Jun 10 J.Young: convert for Namelist redesign; move all\nC local include file variables into GRVARS module\nC***********************************************************************\n\n USE GRVARS ! inherits GRID_CONF\n\n IMPLICIT NONE\n \nC..INCLUDES: None\n \nC..ARGUMENTS: None\n\nC..PARAMETERS: None\n\nC..EXTERNAL FUNCTIONS: None\n\nC..SAVED LOCAL VARIABLES: None\n\nC..SCRATCH LOCAL VARIABLES:\n INTEGER IAR ! Pointer to diagonal terms\n INTEGER IC ! Loop index for ops in decomp loop 1\n INTEGER IDLO ! Start index for decomp loop 1\n INTEGER IDHI ! End index for decomp loop 1\n INTEGER IJ0 ! Pointer to ij term 1 in decomp loop 1\n INTEGER IJ1 ! Pointer to ij term 2 in decomp loop 1\n INTEGER IJA ! Pointer to ij term 1 in decomp loop 2\n INTEGER IJB ! Pointer to ij term 2 in decomp loop 2\n INTEGER IK0 ! Pointer to ik term 1 in decomp loop 1\n INTEGER IK1 ! Pointer to ik term 2 in decomp loop 1\n INTEGER J ! Loop index for number of species\n INTEGER JC ! Loop index for ops in decomp loop 2\n INTEGER JHI1 ! End index for 2-term decomp loop 2\n INTEGER JHI2 ! End index for 1-term decomp loop 2\n INTEGER JLO1 ! Start index for 2-term decomp loop 2\n INTEGER JLO2 ! Start index for 1-term decomp loop 2\n INTEGER KJ0 ! Pointer to kj term 1 in decomp loop 1\n INTEGER KJ1 ! Pointer to kj term 2 in decomp loop 1\n INTEGER NCELL ! Loop index for number of cells \nc*********************************************************************** \n integer mxijdeca, mxijdecb, mxikdeca, mxikdecb, mxkjdeca, mxkjdecb\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc First loop of L-U decomposition \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n JHI2 = JZLO( NCSP )\n DO 100 J = 1, ISCHAN\n\n IDLO = IDEC1LO( J, NCSP )\n IDHI = IDEC1HI( J, NCSP )\n! if ( idhi .gt. 0 ) then\n! mxijdeca = 0\n! mxijdecb = 0\n! mxikdeca = 0\n! mxikdecb = 0\n! mxkjdeca = 0\n! mxkjdecb = 0\n! do ic = idlo, idhi\n! if ( ijdeca( ic ) .gt. mxijdeca ) mxijdeca = ijdeca( ic )\n! if ( ijdecb( ic ) .gt. mxijdecb ) mxijdecb = ijdecb( ic )\n! if ( ikdeca( ic ) .gt. mxikdeca ) mxikdeca = ikdeca( ic )\n! if ( ikdecb( ic ) .gt. mxikdecb ) mxikdecb = ikdecb( ic )\n! if ( kjdeca( ic ) .gt. mxkjdeca ) mxkjdeca = kjdeca( ic )\n! if ( kjdecb( ic ) .gt. mxkjdecb ) mxkjdecb = kjdecb( ic )\n! end do\n! write( *,* ) '@==================== j', j, ' =========================@'\n! write( *,* ) '@=@ mxijdeca: ', mxijdeca\n! write( *,* ) '@=@ mxijdecb: ', mxijdecb\n! write( *,* ) '@=@ mxikdeca: ', mxikdeca\n! write( *,* ) '@=@ mxikdecb: ', mxikdecb\n! write( *,* ) '@=@ mxkjdeca: ', mxkjdeca\n! write( *,* ) '@=@ mxkjdecb: ', mxkjdecb\n! end if\n DO IC = IDLO, IDHI\n IJ0 = IJDECA( IC )\n IJ1 = IJDECB( IC )\n IK0 = IKDECA( IC )\n IK1 = IKDECB( IC )\n KJ0 = KJDECA( IC )\n KJ1 = KJDECB( IC )\n DO NCELL = 1, NUMCELLS\n CC2( NCELL, IJ0 ) = CC2( NCELL, IJ0 ) - \n & CC2( NCELL, IK0 ) * CC2( NCELL, KJ0 )\n CC2( NCELL, IJ1 ) = CC2( NCELL, IJ1 ) - \n & CC2( NCELL, IK1 ) * CC2( NCELL, KJ1 )\n END DO\n END DO\n \nc...vdiag = 1 / current diagonal term of the decomposed matrix\n IAR = JARRAYPT( J, J, NCSP )\n DO NCELL = 1, NUMCELLS\n VDIAG( NCELL, J ) = 1.0D0 / CC2( NCELL, IAR )\n END DO\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Second loop of decompostion. The elements of L are divided by the\nc diagonal element, and the process is divided into parts to improve\nc vectorization.\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n JLO1 = JHI2 + 1\n JHI1 = JHI2 + JHIZ1( J, NCSP ) \n JLO2 = JHI1 + 1 \n JHI2 = JHI1 + JHIZ2( J, NCSP )\n \nc...determine 2 terms at a time\n DO JC = JLO1, JHI1\n IJA = JZEROA( JC )\n IJB = JZEROB( JC )\n DO NCELL = 1, NUMCELLS\n CC2( NCELL, IJA ) = CC2( NCELL, IJA ) * VDIAG( NCELL, J ) \n CC2( NCELL, IJB ) = CC2( NCELL, IJB ) * VDIAG( NCELL, J ) \n END DO\n END DO\n \nc...determine 1 term at a time \n DO JC = JLO2, JHI2 \n IJA = JZEROA( JC )\n DO NCELL = 1, NUMCELLS\n CC2( NCELL, IJA ) = CC2( NCELL, IJA ) * VDIAG( NCELL, J ) \n END DO\n END DO\n\n100 CONTINUE\n\n RETURN\n END\n" }, { "path": "CCTM/src/gas/smvgear/grdriver.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE CHEM( CONC, JDATE, JTIME, TSTEP )\n\nC**********************************************************************\nC\nC FUNCTION: To control gas phase chemistry calculations performed by\nC the vectorized Gear solver (aka SMVGEAR)\nC\nC PRECONDITIONS: None\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: GRINIT\nC JSPARSE\nC SIGMAFH\nC CALCKS\nC SMVGEAR\nC\nC REVISION HISTORY: Prototype created by Jerry Gipson, June, 1995\nC\nC Revised 3/14/96 by Jerry Gipson to conform to\nC the Models-3 minimum IOV configuration.\nC Revised December 1996 by Jerry Gipson to conform\nC to the Models-3 interim CTM that includes emissions\nC in chemistry.\nC Add DTIME performance stats as cpp option (Jeff Dec 96)\nC Revised April 1997 to distinguish NSPCS from NSPCSD\nC Revised April 1997 to conform to Models-3 framework\nC Revised June 1997 to conform to beta version\nC Modified June, 1997 by Jerry Gipson to be consistent\nC with beta CTM\nC Modified September, 1997 by Jerry Gipson to be\nC consistent with the tartgtted CTM\nC Modified March, 1998 by Jerry Gipson to read\nC an emission file with units of moles/s\nC Mod for unicode by Jeff, Feb. 1999\nC 16 Aug 01 J.Young: dyn alloc - Use HGRD_DEFN; replace\nC INTERP3 with INTERPX; some allocatable arrays;\nC Use GRVARS module\nC 31 Jan 05 J.Young: dyn alloc - establish both horizontal\nC & vertical domain specifications in one module (GRID_CONF)\nC 29 Jul 05 WTH: Added IF blocks that call degrade \nC routines if MECHNAME contains 'TX' \nC substring.\nC 28 Jun 10 J.Young: convert for Namelist redesign\nC 29 Mar 11 S.Roselle: Replaced I/O API include files \nC with UTILIO_DEFN\nC 31 Aug 11 B.Hutzell revised method that determines calling\nC degrade routine\nC 29 Sep 11 D.Wong: incorporated twoway model implementation\nC 15 Jul 14 B.Hutzell: 1) replaced mechanism include files with \nC RXNS_DATA module, 2) replaced call to CALCLK with CALC_RCONST\nC in RXNS_FUNCTION module, 3) enabled reactions between all \nC species type by using unit conversion factors and 4) updated\nC the explicit interace SMVGEAR, 5) added using heteorogeneous \nC rate constants by calling subroutine in AEROSOL_CHEMISTRY module,\nC and 6) revised usage for INIT_DEGRADE and FINAL_DEGRADE routines\nC 02 Dec 14 B.Hutzell 1) added terrestrial data to conduct surface\nC dependent reactions and 2) modified the call CALC_RCONST routine\nC 16 Sep 16 J.Young: update for inline procan (IRR)\nC**********************************************************************\n\n USE RXNS_DATA\n USE RXNS_FUNCTION\n USE CGRID_SPCS ! CGRID species number and offsets\n USE UTILIO_DEFN\n USE GRVARS ! inherits GRID_CONF\n USE AEROSOL_CHEMISTRY\n USE DEGRADE_ROUTINES, ONLY : NCELLS, N_REACT, RXTANT_MAP,\n & ICELL_WRITE, WRITE_CELL, WRITE_BLOCK,\n & FIND_DEGRADED, INIT_DEGRADE_BLK, FINAL_DEGRADE_BLK\n\n USE PHOT_MOD, Only: INIT_PHOT_SHARED, RJ ! photolysis rate, in-line module\n USE PA_DEFN, Only: LIRR ! Process Anaylsis control and data variable\n USE PA_IRR_CLT\n USE CENTRALIZED_IO_MODULE, ONLY : INTERPOLATE_VAR, OCEAN, SZONE\n#ifdef sens\n USE DDM3D_CHEM, DDM_RK => RK\n Use DDM3D_DEFN, Only: DATENUM, STARTDATE, IPT, IDATE, HIGH, NP, NPMAX, CKTIME\n#endif\n\n IMPLICIT NONE \n\nC..INCLUDES:\n INCLUDE SUBST_FILES_ID ! CMAQ files\n INCLUDE SUBST_CONST ! CMAQ constants\n\nC..ARGUMENTS:\n REAL, POINTER :: CONC( :,:,:,: ) ! concentrations\n INTEGER JDATE ! Current date (YYYYDDD)\n INTEGER JTIME ! Current time (HHMMSS)\n INTEGER TSTEP( 3 ) ! Time step vector (HHMMSS)\n\nC..PARAMETERS:\n\nC Integer zero\n INTEGER, PARAMETER :: IZERO = 0\n\nC Conc. of M = 1E+06 ppm \n REAL, PARAMETER :: CONCOFM = 1.0E+06\n\nC Pascal to atm conversion factor\n REAL, PARAMETER :: PA2ATM = 1.0 / STDATMPA\n\nC..EXTERNAL FUNCTIONS:\n\nC..SAVED LOCAL VARIABLES:\n LOGICAL, SAVE :: LFIRST = .TRUE. ! Flag for first call to this subroutine\n LOGICAL, SAVE :: EMISVD = .TRUE. ! emission rates in vertical diffusion \n\n INTEGER, SAVE :: IRUNC ! Counter of calls to this subroutine\n INTEGER, SAVE :: NOXYZ ! Total number of grid cells\n LOGICAL, SAVE :: LIRRBLK ! Flag to indicate IRR to be done for block\n REAL, SAVE :: AIRFC ! Factor to convert gms air to ppm\n REAL, SAVE :: MAOMV ! Mol Wt of air over Mol Wt of water\n INTEGER, SAVE :: EMISLYRS ! number of emission layers from file\n \nC..SCRATCH LOCAL VARIABLES:\n CHARACTER( 144 ) :: MSG ! Message text\n CHARACTER( 16 ) :: PNAME = 'GRDRIVER' ! Procedure name\n CHARACTER( 16 ) :: UNITSCK ! Units description\n CHARACTER( 16 ) :: VNAME ! Name of I/O API data variable\n CHARACTER( 16 ) :: UC_UNITS ! Units in upper case\n\n INTEGER BLK ! Loop index for block of cells\n INTEGER CELLNUM ! Cell number \n INTEGER COL ! Column index\n INTEGER ESP ! Loop index for emissions species\n INTEGER IPAR ! Pointer for cell sort routine\n INTEGER IRVAL ! Pointer for cell sort routine\n INTEGER IRXN ! Reaction number\n INTEGER ISP ! Species index\n INTEGER ISPOLD ! Species number in original order\n INTEGER ISPNEW ! Species number in new sorted order \n INTEGER ITMSTEP ! Chemistry integration interval (sec) \n INTEGER JPAR ! Pointer for cell sort routine\n INTEGER JREORD ! Index holder for sort routine\n INTEGER LEV ! Layer index\n INTEGER LVAL ! Pointer for cell sort routine\n INTEGER MIDDATE ! Date at time step midpoint\n INTEGER MIDTIME ! Time at time step midpoint\n INTEGER NCELL ! Index for number of cells\n INTEGER NIRRCLS ! No. of cells in block for IRR\n INTEGER NMID ! Middle cell number in block\n INTEGER NPH ! Index for number of phot. rxns in PHOT\n INTEGER NRX ! Index for number of reactions\n INTEGER ROW ! Row index\n INTEGER SPC ! Species loop index\n INTEGER VAR ! Variable number on I/O API file\n INTEGER ALLOCSTAT ! test for array allocation status\n\n INTEGER, ALLOCATABLE, SAVE :: IRRCELL ( : ) ! Cell No. of an IRR cell\n INTEGER, ALLOCATABLE :: IRSPERF ( : ) ! Number of restarts at beginning\n INTEGER, ALLOCATABLE :: MXORDPERF ( : ) ! Maximum order used\n INTEGER, ALLOCATABLE :: NBKUPS ( : ) ! Number of backups\n INTEGER, ALLOCATABLE :: NCFAILPERF( : ) ! Number of convergence failures\n INTEGER, ALLOCATABLE :: NEFAILPERF( : ) ! Number of error test failures\n INTEGER, ALLOCATABLE :: NITERPERF ( : ) ! Number of iterations\n INTEGER, ALLOCATABLE :: NSTPERF ( : ) ! Number of steps used\n INTEGER, ALLOCATABLE :: NPDPERF ( : ) ! Number of Jacobian updates\n INTEGER, ALLOCATABLE :: NSUBPERF ( : ) ! Number of RHS evaluations\n \n REAL( 8 ) CHEMSTEP ! Chemistry integration interval (min)\n REAL( 8 ) VALLOW ! Value holder for sort routine\n\n REAL CONVEM ! Emissions conversion factor\n REAL CONVFC ! Emissions conversion factor\n REAL DX ! Cell x-dimension\n REAL DY ! Cell y-dimension\n \n REAL, ALLOCATABLE, SAVE :: SEAICE ( :, : ) ! fractional seaice cover, [-] \n\n! REAL, ALLOCATABLE, SAVE :: DENSA_J( :, :, : ) ! Cell density (Kg/m**3)\n REAL, ALLOCATABLE, SAVE :: DENS ( :, :, : ) ! Cell density (Kg/m**3)\n REAL, ALLOCATABLE, SAVE :: PRES ( :, :, : ) ! Cell pressure (Pa)\n REAL, ALLOCATABLE, SAVE :: QV ( :, :, : ) ! Cell water vapor (Kg/Kg air)\n REAL, ALLOCATABLE, SAVE :: TA ( :, :, : ) ! Cell temperature (K)\n\n REAL, ALLOCATABLE, SAVE :: SEAWATER_ZONE ( :,: ) ! fractional area of OPEN+SURF \n\n REAL( 8 ), ALLOCATABLE, SAVE :: Y_DEGRADE ( : , : ) ! concentration array used\n ! by degradation routines\n INTERFACE\n SUBROUTINE SMVGEAR ( IRUN, JDATE, JTIME, CHEMSTEP,\n & LIRRFLAG, NIRRCLS, IRRCELL )\n INTEGER, INTENT( IN ) :: IRUN ! Counter of calls to calling subroutine\n INTEGER, INTENT( IN ) :: JDATE ! Date at start of integration\n INTEGER, INTENT( IN ) :: JTIME ! Time at start of integration\n INTEGER, INTENT( IN ) :: NIRRCLS ! No. of cells in block for IRR\n INTEGER, INTENT( IN ) :: IRRCELL( : ) ! Cell No. of an IRR cell\n LOGICAL, INTENT( IN ) :: LIRRFLAG ! Flag for IRR calculations\n REAL( 8 ), INTENT( IN ) :: CHEMSTEP ! Chemistry integration interval (min) \n END SUBROUTINE SMVGEAR\n SUBROUTINE HETCHEM_UPDATE_AERO( CGRID )\n REAL, POINTER :: CGRID( :,:,:,: ) ! species concentration in cell\n END SUBROUTINE HETCHEM_UPDATE_AERO \n END INTERFACE\n\n! logical, save :: bingo1 = .true.\n! logical, save :: bingo2\n\nC**********************************************************************\n\n#ifdef isam\n MSG = 'ERROR: SMVGEAR Chemistry Solver does not perform source apportionment.'\n WRITE(LOGDEV,'(A)')TRIM( MSG )\n MSG = 'Must use the EBI solver for the chemical mechanism'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n#endif\n\n IF ( NUMB_MECH_SPC .EQ. 0 ) RETURN\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc On first call, call routines to set-up for Gear solver and \nc set-up to do emissions here if that option is invoked\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( LFIRST ) THEN\n LFIRST = .FALSE.\n\n CALL GRVARS_INIT( JDATE, JTIME )\n\n CALL GRINIT\n CALL JSPARSE\n CALL RESET_SPECIES_POINTERS( IOLD2NEW )\n\n NOXYZ = NCOLS * NROWS * NLAYS\n MAOMV = MWAIR / MWWAT\n \nC...Initialize and report data\n EMBLK = 0.0\n\n WRITE( LOGDEV, 92020 ) NOXYZ, BLKSIZE, NBLKS, BLKLEN( 1 ), \n & BLKLEN( NBLKS )\n\n WRITE( LOGDEV, 92040 ) ERRMAX( 1 ), YLOW( 1 )\n\n ALLOCATE( SEAWATER_ZONE( NCOLS, NROWS ) )\n \n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n SEAWATER_ZONE( COL,ROW ) = OCEAN( COL,ROW ) + SZONE( COL,ROW ) \n END DO\n END DO\n\n ALLOCATE( DENS( NCOLS, NROWS, NLAYS ), PRES( NCOLS, NROWS, NLAYS ),\n & QV ( NCOLS, NROWS, NLAYS ), TA ( NCOLS, NROWS, NLAYS ),\n & SEAICE( NCOLS, NROWS ) )\n\n ALLOCATE( IRRCELL( BLKSIZE ) )\n IRRCELL = 0\n\nC..Initialize shared photolysis data\n CALL INIT_PHOT_SHARED()\n\nC:WTH Determine whether DEGRADE routines are needed.\n\n CALL FIND_DEGRADED( JDATE, JTIME, CALL_DEG )\n IF( CALL_DEG ) THEN\n WRITE( LOGDEV, * ) 'DEGRADE ROUTINES USED'\n WRITE( LOGDEV, * ) 'Mechanism contains degraded species'\n#ifdef verbose_gas \n ELSE\n WRITE( LOGDEV, * ) 'DEGRADE ROUTINES not USED'\n WRITE( LOGDEV, * ) 'Mechanism contains NO degraded species'\n#endif \n ENDIF\nC:WTH set up degradation array\n\n ALLOCATE( Y_DEGRADE( BLKSIZE, NSPCSD ) )\n\n#ifdef sens\n CALL INIT_DDM3D_CHEM()\n\nC For higher order sensitivities\n IF ( HIGH ) THEN\n DO IRXN = 1, NRXNS\n IF( NREACT( IRXN ) .LE. 1 ) THEN\n ORDER1( IRXN ) = .TRUE.\n ELSE\n ORDER1( IRXN ) = .FALSE.\n END IF\n END DO\n END IF\n#endif\n ENDIF ! First call\n\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC Start of integration driver after first call\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IRUNC = IRUNC + 1\n NIRRCLS = 0\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC Set date and time to center of time step, get necessary physical \nC data, and get photolysis rates\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n MIDDATE = JDATE\n MIDTIME = JTIME\n ITMSTEP = TIME2SEC( TSTEP( 2 ) )\n CHEMSTEP = REAL( ITMSTEP, 8 ) / 60.0D0\n CALL NEXTIME( MIDDATE, MIDTIME, SEC2TIME( ITMSTEP / 2 ) )\n\n\nC.. Get fractional seaice coverage from the METCRO2D file.\n\n CALL INTERPOLATE_VAR ('SEAICE', MIDDATE, MIDTIME, SEAICE)\n\nC.. Get ambient temperature in K\n\n CALL INTERPOLATE_VAR ('TA', MIDDATE, MIDTIME, TA)\n\nC.. Get specific humidity in Kg H2O / Kg air\n CALL INTERPOLATE_VAR ('QV', MIDDATE, MIDTIME, QV)\n\n! Get ambient MASS DENSITY in Kg/m^3\n CALL INTERPOLATE_VAR ('DENS', MIDDATE, MIDTIME, DENS)\n\nC.. Get pressure in Pascals\n CALL INTERPOLATE_VAR ('PRES', MIDDATE, MIDTIME, PRES)\n\nC.. Get Heterogeneous reaction rates using aerosol surface area. Also\nC store the initial surface area so that it can be updated after the\nC solver finds a solution.\n\n CALL HETCHEM_RATES( TA, PRES, QV, CONC, DENS )\n\n#ifdef sens\nC Set the date and hour counters used in sensitivity calls\n DATENUM = 1 + JDATE - STARTDATE \n\nC For reaction rate sensitivities\n DO NP = 1, NPMAX\n IF ( IPT( NP ) .EQ. 5 ) THEN\n CALL CKTIME( JDATE,JTIME,NP,RXNFLAG(NP) ) ! Rxnflag set to true if ipt=5 and time, date within bounds\n IF ( IDATE( NP, DATENUM ) .NE. 1 ) RXNFLAG( NP ) = .FALSE.\n ELSE\n RXNFLAG( NP ) = .FALSE.\n END IF\n END DO\n#endif\n \nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Set flag for reordering of cells and put cells in sequential \nc order initially\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n LORDERING = .TRUE.\n IF ( .NOT. LREORDER .OR. NBLKS .EQ. 1 ) LORDERING = .FALSE.\n DO NCELL = 1, NOXYZ\n NORDCELL( NCELL ) = NCELL\n ENDDO\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC Top of loop over blocks. This loop will be done once if\nC no reordering, twice if reordering is required\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n100 CONTINUE\n\n ERRMX2 = 0.0D0\n\n DO 500 BLK = 1, NBLKS\n BLKID = BLK\n NUMCELLS = BLKLEN( BLK )\n OFFSET = BLKCNO( BLK )\n IF ( .NOT. LORDERING .AND. LIRR ) THEN\n LIRRBLK = .FALSE.\n CALL PA_IRR_CKBLK ( NUMCELLS, LIRRBLK, OFFSET,\n & CCOL, CROW, CLEV, NORDCELL, NIRRCLS,\n & IRRCELL )\n ENDIF\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC Put the grid cell physical data in the block arrays, converting\nC pressure to atmospheres, water vapor to ppm, emissions to ppm/min,\nC setting to land if seaice coverage is nonzero \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( .NOT. EMISVD )EMBLK = 0.0\n\n DO NCELL = 1, NUMCELLS\n CELLNUM = NORDCELL( OFFSET + NCELL )\n COL = CCOL( CELLNUM )\n ROW = CROW( CELLNUM )\n LEV = CLEV( CELLNUM )\n BLKTEMP( NCELL ) = REAL( TA( COL,ROW,LEV ), 8 )\n BLKDENS( NCELL ) = REAL( DENS( COL,ROW,LEV ), 8 )\n BLKSVOL( NCELL ) = 1.0 / DENS( COL,ROW,LEV )\n BLKPRES( NCELL ) = REAL( PA2ATM * PRES( COL, ROW, LEV ), 8 )\n BLKCH2O( NCELL ) = REAL( MAX( QV( COL,ROW,LEV ) * MAOMV * CONCOFM, 0.0 ), 8)\n BLKSEAWATER (NCELL) = MAX ( 0.0, ( SEAWATER_ZONE( COL,ROW ) - SEAICE (COL,ROW) ) )\n ENDDO\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC Put the grid cell concentrations in the block arrays\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n DO ISP = 1, ISCHANG( NCS )\n SPC = CGRID_INDEX( ISP )\n ISPNEW = IOLD2NEW( ISP, NCS )\n DO NCELL = 1, NUMCELLS\n CELLNUM = NORDCELL( OFFSET + NCELL )\n COL = CCOL( CELLNUM )\n ROW = CROW( CELLNUM )\n LEV = CLEV( CELLNUM )\n IF( CONVERT_CONC( ISP ) )THEN \n CNEW( NCELL,ISPNEW ) = REAL( MAX( FORWARD_CONV( ISP ) * BLKSVOL( NCELL )\n & * CONC( COL,ROW,LEV,SPC ), CONCMIN), 8 )\n ELSE\n CNEW( NCELL,ISPNEW ) = REAL( MAX( CONC( COL,ROW,LEV,SPC ), CONCMIN), 8 )\n END IF\n BLKCONC( NCELL, ISP ) = CNEW( NCELL,ISPNEW )\n#ifdef sens\n CINIT( NCELL, ISP ) = CNEW( NCELL,ISPNEW )\n#endif\n ENDDO \n ENDDO\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC Get heterogeneous, photolytic and thermal rate constants\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n LSUNLIGHT = .FALSE.\n\n DO NCELL = 1, NUMCELLS\n CELLNUM = NORDCELL( OFFSET + NCELL )\n COL = CCOL( CELLNUM )\n ROW = CROW( CELLNUM )\n LEV = CLEV( CELLNUM )\n DO NPH = 1, NPHOTAB\n RJBLK( NCELL, NPH ) = REAL( RJ( COL, ROW, LEV, NPH ), 8 )\n IF ( RJBLK( NCELL, NPH ) .GT. 0.0 ) LSUNLIGHT = .TRUE.\n ENDDO \n DO NPH = 1, NHETERO\n BLKHET( NCELL, NPH ) = KHETERO( NPH, COL, ROW, LEV )\n END DO\n ENDDO\n \n CALL CALC_RCONST( BLKTEMP, BLKPRES, BLKCH2O, RJBLK, BLKHET, LSUNLIGHT, BLKSEAWATER, RK, NUMCELLS ) \n\n#ifdef debug_gear\n DO NCELL = 1, NUMCELLS\n CELLNUM = NORDCELL( OFFSET + NCELL )\n NCSP = 1\n IF( NCELL1 .EQ. CELLNUM )THEN\n CALL SUBFUN\n DO ISP = 1, NUMB_MECH_SPC\n WRITE(LOGDEV,'(A,ES12.4)')CHEMISTRY_SPC(ISP)//' = ',BLKCONC( NCELL1, ISP )\n END DO\n DO NPH = 1,NRXNS\n WRITE(LOGDEV,'(I3,1X,A,2(1X,ES12.4))')NPH,RXLABEL(NPH),RK(NCELL1,NPH),RXRAT(NCELL1,NPH)\n END DO\n END IF\n END DO\n#endif\n\n IF ( LSUNLIGHT ) THEN\n HMAX = HMAXDAY( NCS )\n NCSP = NCS\n ELSE\n HMAX = HMAXNIT\n NCSP = NCS + 1\n ENDIF\n\nC..WTH: Put concentrations into degradation array\n\n IF ( CALL_DEG ) THEN\n Y_DEGRADE = 0.0D0\n! Use FPP flag to check results from species degrade routines\n DO ISP = 1, NSPCSD\n DO NCELL = 1, NUMCELLS\n CELLNUM = NORDCELL( OFFSET + NCELL )\n COL = CCOL( CELLNUM )\n ROW = CROW( CELLNUM )\n LEV = CLEV( CELLNUM )\n Y_DEGRADE( NCELL,ISP ) = REAL(MAX( CONC( COL,ROW,LEV,ISP ), CONCMIN), 8 )\n ENDDO \n ENDDO\n\n! Use FPP flag to check results from species degrade routines\n#ifdef verbose_gas\n WRITE_BLOCK = .FALSE.\n ICELL_WRITE = 1\n DO NCELL = 1, NUMCELLS\n CELLNUM = NORDCELL( OFFSET + NCELL )\n COL = CCOL( CELLNUM )\n ROW = CROW( CELLNUM )\n LEV = CLEV( CELLNUM )\n IF( LEV .EQ. 1 .AND. ROW .EQ. 1 .AND. COL .EQ. 1 )THEN\n WRITE_BLOCK = .TRUE.\n ICELL_WRITE = NCELL\n WRITE_CELL( NCELL ) = .TRUE.\n ELSE\n WRITE_CELL( NCELL ) = .FALSE.\n END IF\n END DO\n#endif\nC..initialize degradation routines\n NCELLS = NUMCELLS \n CALL INIT_DEGRADE_BLK( Y_DEGRADE, BLKTEMP, BLKDENS, BLKPRES, BLKCH2O, RJBLK, \n & JDATE, JTIME )\n \n ENDIF\n\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC Call Gear solver for the integration interval\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n CALL SMVGEAR( IRUNC, JDATE, JTIME, CHEMSTEP, LIRRBLK, NIRRCLS, IRRCELL )\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC If not ordering cells, save performance statistics, do debug output\nC if requested, and store updated concentrations.\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( .NOT. LORDERING ) THEN\n\nC..Update concentrations\n DO ISP = 1, ISCHANG( NCS )\n ISPOLD = INEW2OLD( ISP, NCS )\n SPC = CGRID_INDEX( ISPOLD )\n DO NCELL = 1, NUMCELLS\n CELLNUM = NORDCELL( OFFSET + NCELL )\n ROW = CROW( CELLNUM )\n COL = CCOL( CELLNUM )\n LEV = CLEV( CELLNUM )\n#ifdef sens\n CFINI( NCELL, ISPOLD ) = CNEW( NCELL,ISP )\n#endif\n IF( CONVERT_CONC( ISPOLD ) )THEN \n CONC( COL,ROW,LEV,SPC ) = REAL( REVERSE_CONV( ISPOLD ) \n & * BLKDENS( NCELL ) * CNEW( NCELL,ISP ), 4)\n\n ELSE\n CONC( COL,ROW,LEV,SPC ) = REAL( CNEW( NCELL,ISP ), 4)\n ENDIF\n ENDDO\n ENDDO\n\n\n IF ( CALL_DEG ) THEN\n\nC Update degradation array with species treated by Rosenbach solver\nC\nC DO ISP = 1, ISCHANG( NCS )\nC ISPOLD = INEW2OLD( ISP, NCS )\nC DO NCELL = 1, NUMCELLS\nC Y_DEGRADE( NCELL,ISPOLD ) = Y( NCELL,ISP )\nC END DO\nC END DO\n\n\nC Update CGRID based on the degradation routines\n CALL FINAL_DEGRADE_BLK( Y_DEGRADE )\n UPDATE_DEGRADED: DO ISP = 1, N_REACT\n VAR = RXTANT_MAP( ISP )\n IF( VAR .LE. 0 )CYCLE UPDATE_DEGRADED\n DO SPC = 1, NUMB_MECH_SPC\n IF( VAR .EQ. CGRID_INDEX( SPC ) )CYCLE UPDATE_DEGRADED\n END DO\n DO NCELL = 1, NUMCELLS\n CELLNUM = NORDCELL( OFFSET + NCELL )\n COL = CCOL( CELLNUM )\n ROW = CROW( CELLNUM )\n LEV = CLEV( CELLNUM )\n CONC( COL,ROW,LEV,VAR ) = REAL( Y_DEGRADE( NCELL,VAR ), 4)\n END DO\n END DO UPDATE_DEGRADED\n ENDIF\n \n IF ( LIRRBLK ) CALL PA_IRR_BLKENDC ( OFFSET, CCOL, CROW, CLEV,\n & NORDCELL, NIRRCLS, IRRCELL )\n\n#ifdef sens\n \n DO NCELL = 1, NUMCELLS\n DO IRXN = 1, NRXNS\n SRK( IRXN ) = RK( NCELL,IRXN )\n IF ( HIGH ) THEN\n IF ( NREACT( IRXN ) .LE. 1 ) THEN\n SRK2( IRXN ) = 0.0\n ELSE IF ( NREACT( IRXN ) .EQ. 2 ) THEN\n SRK2( IRXN ) = REAL( RK( NCELL,IRXN ), 4 )\n ELSE IF ( NREACT( IRXN ) .EQ. 3 ) THEN\n SRK2( IRXN ) = REAL( RK( NCELL,IRXN ),4 )\n ELSE\n SRK2( IRXN ) = 0.0\n END IF\n END IF\n END DO\n\n DO ISP = 1,NUMB_MECH_SPC\n! ISPOLD = INEW2OLD( ISP,NCS )\n! YCDDM( ISP ) = 0.5D0 * ( CINIT(NCELL,ISP)+CFINI( NCELL,ISP ) )\n YCDDM( ISP ) = CAVEG(NCELL,ISP)\n END DO\n CELLNUM = NORDCELL( OFFSET + NCELL )\n COL = CCOL( CELLNUM )\n ROW = CROW( CELLNUM )\n LEV = CLEV( CELLNUM )\n CALL SOLVE_DDM3D_CHEM( COL,ROW,LEV,CHEMSTEP )\n! CALL SOLVE_DDM3D_CHEM( COL,ROW,LEV,CHEMSTEP,IOLD2NEW,INEW2OLD )\n END DO\n#endif\n ENDIF\n\n500 CONTINUE\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC End of block loop; reorder cells if necessary and go back do the \nC block loop again. Taken from Jacobson 1994. (Heapsort on ERRMX2)\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( LORDERING ) THEN\n LORDERING = .FALSE. \n LVAL = NOXYZ * 0.5 + 1\n IRVAL = NOXYZ\n600 CONTINUE\n IF ( LVAL .GT. 1 ) THEN\n LVAL = LVAL - 1\n VALLOW = ERRMX2( LVAL )\n JREORD = NORDCELL( LVAL )\n ELSE\n VALLOW = ERRMX2( IRVAL )\n JREORD = NORDCELL( IRVAL )\n ERRMX2( IRVAL ) = ERRMX2( 1 )\n NORDCELL( IRVAL ) = NORDCELL( 1 )\n IRVAL = IRVAL - 1\n IF ( IRVAL.EQ.1 ) THEN\n ERRMX2( IRVAL ) = VALLOW\n NORDCELL( IRVAL ) = JREORD\n GO TO 100\n ENDIF\n ENDIF\n IPAR = LVAL\n JPAR = LVAL + LVAL\n650 CONTINUE\n IF ( JPAR .LE. IRVAL ) THEN\n IF ( JPAR .LT. IRVAL ) THEN\n IF ( ERRMX2( JPAR ) .LT. ERRMX2( JPAR + 1 ) ) JPAR = JPAR + 1\n ENDIF\n IF ( VALLOW .LT. ERRMX2( JPAR )) THEN\n ERRMX2( IPAR ) = ERRMX2( JPAR )\n NORDCELL( IPAR ) = NORDCELL( JPAR )\n IPAR = JPAR\n JPAR = JPAR + JPAR\n ELSE\n JPAR = IRVAL + 1\n ENDIF\n GO TO 650\n ENDIF\n ERRMX2( IPAR ) = VALLOW\n NORDCELL( IPAR ) = JREORD\n GO TO 600\n ENDIF\n \n !Update Aerosol Surface Area\n CALL HETCHEM_UPDATE_AERO( CONC )\n\n RETURN\n \nC*********************** FORMAT STATEMENTS ****************************\n92000 FORMAT( / 10X, 'Emissions Processing in Chemistry ...'\n & / 10X, 'Number of Emissions Layers: ', I3\n & / 10X, 'out of total Number of Model Layers:', I3 )\n92020 FORMAT( / 10X, 'Chemistry Solver Blocking Parameters ... ',\n & / 10X, 'Domain Size (number of cells): ', I10\n & / 10X, 'Dimensioning Block Size (number of cells): ', I10\n & / 10X, 'Number of Blocks: ', I10\n & / 10X, 'Size of General Blocks: ', I10\n & / 10X, 'Size of Last Block: ', I10 )\n92040 FORMAT( / 10X, 'Chemistry Solver Error Control Parameters ...',\n & / 10X, 'RTOL : ', 1PE12.3,\n & / 10X, 'ATOL : ', 1PE12.3, ' ppm' )\n\n93000 FORMAT( 'units' )\n93020 FORMAT( A4, 1X, 1PE15.6 )\n93040 FORMAT( 'TEMP', 1X, 1PE15.6 )\n93060 FORMAT( 'H2O ', 1X, 1PE15.6 )\n93080 FORMAT( 'PRES', 1X, 1PE15.6 )\n93085 FORMAT( 'SEAWATER', 1X, 1PE15.6 )\n93100 FORMAT( I3, 1X, 1PE15.6 )\n93120 FORMAT( 1X, 'Rate constants at start of irun=', I4, \n & ' block=', I4 )\n93140 FORMAT( 1X, 'n= ', I3, ' k=', 1PE20.8 )\n93160 FORMAT( /1X, 'Species concentrations at start of irun=', I4,\n & ' for block=',I4)\n93180 FORMAT( 1X, 'C(0)= ', I3, 2X, A4, 2x, 3( 1PE20.10 ) )\n93200 FORMAT( 1X, 'C(0)= ', I3, 2X, 'M ', 2X, 1PE20.10 ) \n93220 FORMAT( 1X, 'C(0)= ', I3, 2X, 'O2 ', 2X, 1PE20.10 ) \n93240 FORMAT( 1X, 'C(0)= ', I3, 2X, 'N2 ', 2X, 1PE20.10 ) \n93260 FORMAT( 1X, 'C(0)= ', I3, 2X, 'H2O ', 2X, 3( 1PE20.10 ) )\n93280 FORMAT( 1X, 'TEMP (K) = ', 3( 1PE20.10 ) )\n93300 FORMAT( 1X, 'PRESS(ATM) = ', 3( 1PE20.10 ) )\n93305 FORMAT( 1X, 'SEAWATER (-) = ', 3( 1PE20.10 ) )\n93320 FORMAT( /1X, 'Species concentrations at end of irun=', I4,\n & ' Cell=', I5 )\n93340 FORMAT( 1x, 'C(end)= ', I3, 2x, A4, 2x, 1PE20.8)\n93360 FORMAT( //1X, 'Concs for cell 1, cell ',I3,' and cell ',I3 )\n93380 FORMAT( 1X, 'C(E)= ',I3, 2X, A4, 2X, 3( 1PE20.10 ) )\n END\n \n\n" }, { "path": "CCTM/src/gas/smvgear/grinit.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE GRINIT \n\nC**********************************************************************\nC\nC FUNCTION: To initialize Gear chemistry solver variables and to group \nC cells into blocks\nC\nC PRECONDITIONS: None \nC \nC RETURN VALUES: All values stored in common blocks \nC \nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Prototype created By Jerry Gipson, June, 1995.\nC\nC Revised 3/14/96 by Jerry Gipson to conform to\nC Models-3 minimum IOV configuration. \nC Revised December 1996 by Jerry Gipson to conform\nC to the Models-3 interim CTM that includes emissions\nC in chemistry.\nC Revised April 1997 to conform to Models-3 beta\nC version\nC Revised May 1997 to optionally get Gear tolerances\nC from environment variables\nC Modified June, 1997 by Jerry Gipson to be consistent\nC with beta CTM\nC Modified September, 1997 by Jerry Gipson to be\nC consistent with the targetted CTM\nC Mod for unicode by Jeff, Feb. 1999\nC 16 Aug 01 J.Young: Use HGRD_DEFN; Use GRVARS\nC 31 Jan 05 J.Young: dyn alloc - establish both horizontal\nC & vertical domain specifications in one module (GRID_CONF)\nC 28 Jun 10 J.Young: remove unnecessary modules and includes\nC 30 Jun 10 J.Young: convert for Namelist redesign; move all\nC local include file variables into GRVARS module\nC 29 Mar 11 S.Roselle: Use UTILIO_DEFN for external functions\nC***********************************************************************\n USE RUNTIME_VARS\n USE GRVARS ! inherits GRID_CONF\n USE UTILIO_DEFN\n\n IMPLICIT NONE\n \nC.....INCLUDES: None\n\nC.....ARGUMENTS: None\n\nC.....PARAMETERS: None\n\nC.....EXTERNAL FUNCTIONS: None\n \nC.....SAVED VARIABLES: None\n\nC.....LOCAL VARIABLES:\n CHARACTER( 80 ) :: VARDESC ! Description of environment variable \n CHARACTER( 96 ) :: MSG ! Error message\n CHARACTER( 16 ) :: PNAME = 'GRINIT' ! Program Name\n \n INTEGER COL ! Column number index\n INTEGER IAVGSIZE ! Average number of cells per block\n INTEGER IDUMMY ! Dummy integer variable \n INTEGER IERRST ! Ouput error status number\n INTEGER LEV ! Level number index\n INTEGER NBLK ! Block number index\n INTEGER NCOUNT ! Counter for number of cells for grid\n INTEGER NOXYZ ! Total number of cells for grid\n INTEGER ROW ! Row number index\n INTEGER STATUS ! Status code for functions\n\nC***********************************************************************\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Set control parameters for output report options\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n#ifdef debug_gear\n LDEBUG = .FALSE.\n IF( LDEBUG ) THEN\n IRUNBUG = 1 \n NSTEPOUT = 1 \n NSUBOUT = 1 \n NPDOUT = 1\n DBGCOL = 10\n DBGROW = 10\n DBGLEV = 1\n IUNDBG = JUNIT( ) \n OPEN( UNIT = IUNDBG, FILE = 'DEBUG.OUT' ) \n ENDIF\n \n LDUMPBLK = .FALSE.\n IF( LDUMPBLK ) THEN\n IRUNBLK = 1\n IBLKBLK = 1\n IUNBIC = JUNIT( )\n OPEN( UNIT = IUNBIC, FILE = 'ICBLKOUT.OUT', \n & FORM = 'UNFORMATTED' )\n ENDIF\n \n LDUMPCELL = .FALSE.\n IF( LDUMPCELL ) THEN\n IRUNCELL = 1\n IBLKCELL = 1\n INUMCELL = 1\n IUNCIC = JUNIT( )\n OPEN( UNIT = IUNCIC, FILE= 'ICCELLOUT.OUT' )\n ENDIF\n \n LTRACE = .FALSE.\n IF( LTRACE ) THEN\n IRUNTRC1 = 1\n IRUNTRC2 = 2\n IBLKTRC = 1\n IUNTRC = JUNIT( ) \n OPEN( UNIT = IUNTRC, FILE = 'TRACE.OUT' )\n WRITE( IUNTRC, 93020 ) IBLKTRC\n WRITE( IUNTRC, 93040 )\n ENDIF\n \n LPERFSMRY = .FALSE.\n IF( LPERFSMRY ) THEN\n IUNPERF = JUNIT( )\n OPEN( UNIT = IUNPERF, FILE= 'PERFSMRY.OUT',\n & FORM = 'UNFORMATTED') \n ENDIF\n \n LCELLCONC = .FALSE.\n IF( LCELLCONC ) THEN\n RUNMIN = 0.0\n IRUNPRO1 = 1\n IRUNPRO2 = 4\n CROWOUT = 18 \n CCOLOUT = 18\n CLEVOUT = 1\n IUNCOUT = JUNIT( ) \n OPEN( UNIT = IUNCOUT, FILE = 'PROFILE.OUT', \n & FORM = 'UNFORMATTED')\n ENDIF\n#endif\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Set some constants for the Gear solver\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n LREORDER = .TRUE.\n HMAXDAY( NCS ) = 15.0D0\n HMAXNIT = 5.0D0\n HMIN = 1.0D-10\n YLOW ( NCS ) = REAL( GEAR_MIN_ATOL, 8 )\n ERRMAX ( NCS ) = REAL( GEAR_RTOL, 8 )\n FRACDEC = 0.25D0\n CONCMIN = 1.0D-30\n ZBOUND = 1.0D-30\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get number of cells in grid and store i,j,k indices of cells in\nc sequential order\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n NCOUNT = 0\n DO LEV = 1, NLAYS\n DO COL = 1, NCOLS\n DO ROW = 1, NROWS\n NCOUNT = NCOUNT + 1\n CROW( NCOUNT ) = ROW\n CCOL( NCOUNT ) = COL\n CLEV( NCOUNT ) = LEV\n IF( ROW .EQ. 1 .AND. COL .EQ. 1 .AND. LEV .EQ. 1 )NCELL1 = NCOUNT\n END DO\n END DO\n END DO\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Define block structure for grid; stop if maxblks exceeded\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n NOXYZ = NCOUNT\n NBLKS = 1 + ( NOXYZ - 1 ) / BLKSIZE\n IF( NBLKS .GT. MXBLKS ) THEN\n WRITE( MSG, 92020 ) NBLKS, MXBLKS\n IDUMMY = 0\n IERRST = 2\n CALL M3EXIT( PNAME, IDUMMY, IDUMMY, MSG, IERRST )\n ENDIF\n\n IAVGSIZE = 1 + ( NOXYZ - 1 ) / NBLKS\n IAVGSIZE = MIN( IAVGSIZE, BLKSIZE )\n OFFSET = 0\n\n DO NBLK = 1, NBLKS\n IF( NBLK .LT. NBLKS ) THEN\n BLKCNO( NBLK ) = OFFSET\n BLKLEN( NBLK ) = IAVGSIZE\n OFFSET = OFFSET + IAVGSIZE ! updates in GRVARS module for use in\n ELSE ! GRDRIVER and GRSMVGEAR\n BLKCNO( NBLK ) = OFFSET\n BLKLEN( NBLK ) = NOXYZ - ( ( NBLK-1 ) * IAVGSIZE )\n ENDIF\n END DO\n\n RETURN\n \nC********************** FORMAT STATEMENTS ****************************** \n92020 FORMAT( 1X, 'ERROR: MAXIMUM NUMBER OF BLOCKS EXCEEDED',\n & ' FOR GRID', 'NBLKS=', I3, 1X, ' MAXBLKS=',\n & I3, ' CHANGE GRPARMS.EXT' )\n93020 FORMAT( 1X, 'TRACE FOR BLOCK = ', I3 ) \n93040 FORMAT( 1X, 'RUN STP# NFE NJE ITR CFL EFL QUSD TIME',\n & ' H USED HRATIO' ) \n\n END\n \n" }, { "path": "CCTM/src/gas/smvgear/grpderiv.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/CCTM/src/gas/smvgear/grpderiv.F,v 1.4 2011/10/21 16:11:14 yoj Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC @(#)grpderiv.F 1.1 /project/mod3/CMAQ/src/chem/smvgear/SCCS/s.grpderiv. F 07 Jul 1997 12:45:28\n\n SUBROUTINE PDERIV\n\nC***********************************************************************\nC\nC FUNCTION: Compute [P]=[I]-bh[J] where J is the Jacobian matrix,\nC (i.e., [J] = d[dCi/dt]/dCi), b is the Gear coefficient,\nC and h is the time-step\nC\nC PRECONDITIONS: None\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Prototype created by Jerry Gipson, June, 1995,\nC Based on the code originally developed by \nC M. Jacobson, (Atm. Env., Vol 28, No 2, 1994).\nC Revised 3/14/96 by Jerry Gipson to conform to\nC the Models-3 minimum IOV configuration\nC Revised December 1996 by Jerry Gipson to conform\nC to the Models-3 interim CTM that includes emissions\nC in chemistry.\nC Revised April 1997 to distinguish NSPCS from NSPCSD\nC Revised April 1997 to conform to Models-3 framework\nC Modified June, 1997 by Jerry Gipson to be consistent\nC with beta CTM\nC Modified September, 1997 by Jerry Gipson to be \nC consistent with the targeted CTM\nC 16 Aug 01 J.Young: Use HGRD_DEFN\nC 31 Jan 05 J.Young: get BLKSIZE from dyn alloc horizontal\nC & vertical domain specifications module (GRID_CONF)\nC 28 Jun 10 J.Young: convert for Namelist redesign\nC 29 Mar 11 S.Roselle: Replaced I/O API include files \nC with UTILIO_DEFN\nC 22 Aug 11 J.Young: fixed bug: initialize CC2( NCELL,0 )\nC 15 Jul 14 B.Hutzell: replaced mechanism include files with \nC RXNS_DATA module\nC***********************************************************************\n\n USE RXNS_DATA\n USE CGRID_SPCS ! CGRID mechanism species\n USE UTILIO_DEFN\n USE GRVARS ! inherits GRID_CONF\n\n IMPLICIT NONE\n \nC..INCLUDES: None\n \nC..ARGUMENTS: None\n\nC..PARAMETERS: None\n\nC..EXTERNAL FUNCTIONS: None\n\nC..SAVED LOCAL VARIABLES: None\n\nC..SCRATCH LOCAL VARIABLES:\n\n INTEGER IALP ! Pointer to location of PD term in EXPLIC\n INTEGER IAR ! Loop index for non-zero entries in [P]\n INTEGER IARP ! Pointer to location of PD term in [P]\n INTEGER IARRY ! Pointer to end of [P] entries\n INTEGER ISCP ! Pointer to stoichiometric coefficient\n INTEGER ISPC ! Loop index for species\n INTEGER JR1, JR2, JR3 ! Pointer to reactant species conc.\n INTEGER NCELL ! Loop index for number of cells\n INTEGER NL ! Loop index for loss PD terms\n INTEGER NLD ! Number of loss PD terms for each rxn.\n INTEGER NP ! Loop index for prod PD terms\n INTEGER NPD ! Number of prod PD terms for each rxn.\n INTEGER NRK ! Reaction number\n INTEGER NRX ! Loop index for number of reactions\n INTEGER NONDIAG ! Pointer to end of off-diagonal entries\n INTEGER NONDIAG1 ! Pointer to start of diagonal entries\n INTEGER IOS ! Allocate status\n \n REAL( 8 ) :: CR2 ! Temporary product for 3 reactant rxns\n REAL( 8 ) :: FRACN ! Stoichiometric coeff. times b*h\n REAL( 8 ) :: EXPLIC( BLKSIZE, 3 ) ! Reaction partial derivative terms\n \n REAL( 8 ), ALLOCATABLE, SAVE :: CEFF( :, : ) ! Effective species concentrations\n ! (i.e., zeroed if below ZBOUND)\n\n LOGICAL, SAVE :: LFIRST = .TRUE. ! Flag for first call to this subroutine\n CHARACTER( 16 ) :: PNAME = 'GRPDERIV' ! Procedure name\n CHARACTER( 144 ) :: MSG ! Message text\n\nC***********************************************************************\n\n IF ( LFIRST ) THEN\n LFIRST = .FALSE.\n ALLOCATE ( CEFF( BLKSIZE, NUMB_MECH_SPC ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = '*** Memory allocation error for CEFF'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Increment call counter and set up identity matrix stored in sparse\nc matrix format (i.e., values of cc2 are entries in P that may be \nc nonzero). Diagonals come after non-diagonal entries.\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n NPDERIV = NPDERIV + 1\n IARRY = IARRAY( NCSP ) \n NONDIAG = IARRY - ISCHAN \n NONDIAG1 = NONDIAG + 1\n! DO IAR = 1, NONDIAG\n DO IAR = 0, NONDIAG\n DO NCELL = 1, NUMCELLS\n CC2( NCELL, IAR ) = 0.0D0\n END DO\n END DO\n DO IAR = NONDIAG1, IARRY\n DO NCELL = 1, NUMCELLS\n CC2( NCELL, IAR ) = 1.0D0\n END DO\n END DO\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Set effective concentrations to be used in PD calculations\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n DO ISPC=1,ISCHAN\n DO NCELL=1,NUMCELLS\n IF( CNEW( NCELL, ISPC ) .LE. ZBOUND ) THEN\n CEFF( NCELL, ISPC ) = 0.0D0\n ELSE\n CEFF( NCELL, ISPC ) = CNEW( NCELL, ISPC )\n ENDIF\n END DO\n END DO\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Loop over reaction rates adding partial derivative terms; EXPLIC\nc holds the PD terms according to number of reactants\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n DO 240 NRX = 1, NUSERAT( NCSP )\n NRK = NKUSERAT( NRX, NCSP )\n \nc...partial derivative term for reactions with 1 reactant\n IF( NREACT( NRK ) .EQ. 1 ) THEN\n DO NCELL = 1, NUMCELLS\n EXPLIC( NCELL, 1 ) = RK( NCELL, NRK ) \n END DO\n \nc...partial derivative terms for reactions with 2 reactants\n ELSEIF( NREACT( NRK ) .EQ. 2 ) THEN\n JR1 = IRM2( 1, NRK, NCS )\n JR2 = IRM2( 2, NRK, NCS )\n DO NCELL = 1, NUMCELLS\n EXPLIC( NCELL, 1 ) = RK( NCELL, NRK ) * CEFF( NCELL, JR2 )\n EXPLIC( NCELL, 2 ) = RK( NCELL, NRK ) * CEFF( NCELL, JR1 )\n END DO\n \nc.....partial derivative terms for reactions with 3 reactants\n ELSEIF( NREACT( NRK ).EQ.3 ) THEN\n JR1 = IRM2( 1, NRK, NCS )\n JR2 = IRM2( 2, NRK, NCS )\n JR3 = IRM2( 3, NRK, NCS )\n DO NCELL = 1, NUMCELLS\n CR2 = RK( NCELL, NRK ) * CEFF( NCELL, JR2 )\n EXPLIC( NCELL, 1 ) = CR2 * CEFF( NCELL, JR3 )\n EXPLIC( NCELL, 2 ) = RK( NCELL, NRK )\n & * CEFF( NCELL, JR1 ) * CEFF( NCELL, JR3 ) \n EXPLIC( NCELL, 3 ) = CR2 * CEFF( NCELL, JR1 )\n END DO\n ENDIF\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Add PD terms to [P] for this reaction\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc...loss terms\n NLD = NDERIVL( NRK, NCSP ) \n DO NL = 1, NLD\n IARP = JARRL( NL, NRK, NCSP )\n IALP = JLIAL( NL, NRK, NCSP )\n DO NCELL = 1, NUMCELLS\n CC2( NCELL, IARP ) = CC2( NCELL, IARP )\n & - R1DELT * EXPLIC( NCELL, IALP ) \n END DO\n END DO\n \nc...production terms with stoichiomteric coeff EQ 1.0 and NE 1.0\n NPD = NDERIVP( NRK, NCSP )\n DO NP = 1, NPD\n IARP = JARRP( NP, NRK, NCSP )\n IALP = JPIAL( NP, NRK, NCSP )\n IF( ICOEFF( NP, NRK, NCSP ) .EQ. 0 ) THEN\n DO NCELL = 1, NUMCELLS\n CC2( NCELL, IARP ) = CC2( NCELL, IARP ) \n & + R1DELT * EXPLIC( NCELL, IALP ) \n END DO\n ELSE\n ISCP = ICOEFF( NP, NRK, NCSP )\n FRACN = REAL( SC( NRK, ISCP ), 8 ) * R1DELT \n DO NCELL = 1, NUMCELLS\n CC2( NCELL, IARP ) = CC2( NCELL, IARP ) \n & + FRACN * EXPLIC( NCELL, IALP ) \n END DO \n ENDIF\n END DO \n\n240 CONTINUE\n\n RETURN \n END\n" }, { "path": "CCTM/src/gas/smvgear/grsmvgear.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/CCTM/src/gas/smvgear/grsmvgear.F,v 1.4 2011/10/21 16:11:14 yoj Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC @(#)grsmvgear.F 1.1 /project/mod3/CMAQ/src/chem/smvgear/SCCS/s.grsmvgear.F 07 Jul 1997 12:45:29\n\n SUBROUTINE SMVGEAR( IRUN, JDATE, JTIME, CHSTEP, LIRRFLAG,\n & NIRRCLS, IRRCELL )\n\nC***********************************************************************\nC\nC FUNCTION: To perform the Gear chemistry integration for one block\nC of cells for the requested time interval\nC\nC PRECONDITIONS: None\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: BACKSUB\nC DECOMP\nC PDERIV\nC SUBFUN\nC\nC REVISION HISTORY: Prototype created by Jerry Gipson, June, 1995.\nC Based on the code originally developed by \nC M. Jacobson, (Atm. Env., Vol 28, No 2, 1994).\nC Revised 3/14/96 by Jerry Gipson to conform to\nC the Models-3 minimum IOV configuration \nC Revised December 1996 by Jerry Gipson to conform\nC to the Models-3 interim CTM that includes emissions\nC in chemistry.\nC Revised April 1997 to distinguish NSPCS from NSPCSD\nC Revised April 1997 to conform to Models-3 framework\nC Modified June, 1997 by Jerry Gipson to be consistent\nC with beta CTM\nC Modified September, 1997 by Jerry Gipson to be \nC consistent with the targeted CTM\nC 16 Aug 01 J.Young: Use HGRD_DEFN; Use GRVARS\nC 31 Jan 05 J.Young: get BLKSIZE from dyn alloc horizontal\nC & vertical domain specifications module (GRID_CONF)\nC 29 Jul 05 WTH: Added IF blocks that call degrade \nC routines if CALL_DEG is true, i.e.,\nC if MECHNAME contains 'TX' substring.\nC 28 Jun 10 J.Young: convert for Namelist redesign\nC 30 Jun 10 J.Young: convert for Namelist redesign; move all\nC local include file variables into GRVARS module\nC 29 Mar 11 S.Roselle: Replaced I/O API include files \nC with UTILIO_DEFN\nC 15 Jul 14 B.Hutzell: replaced mechanism include files with \nC RXNS_DATA module and added intent declarations to arguments\nC**********************************************************************\n\n USE RUNTIME_VARS, ONLY: LOGDEV\n USE RXNS_DATA\n USE CGRID_SPCS ! CGRID species number and offsets\n USE UTILIO_DEFN\n USE GRVARS ! inherits GRID_CONF\n USE DEGRADE_ROUTINES, ONLY: DEGRADE_BLK\n USE PA_IRR_MODULE\n\n IMPLICIT NONE\n \nC..INCLUDES: None\n \nC..ARGUMENTS:\n INTEGER, INTENT( IN ) :: IRUN ! Counter of calls to calling subroutine\n INTEGER, INTENT( IN ) :: JDATE ! Date at start of integration\n INTEGER, INTENT( IN ) :: JTIME ! Time at start of integration\n INTEGER, INTENT( IN ) :: NIRRCLS ! No. of cells in block for IRR\n INTEGER, INTENT( IN ) :: IRRCELL( : ) ! Cell No. of an IRR cell\n LOGICAL, INTENT( IN ) :: LIRRFLAG ! Flag for IRR calculations\n REAL( 8 ), INTENT( IN ) :: CHSTEP ! Chemistry integration interval (min) \n\nC..PARAMETERS:\n INTEGER, PARAMETER :: NZERO = 0 ! Integer zero\n INTEGER, PARAMETER :: N999 = 999 ! Integer 999\n! INTEGER, PARAMETER :: MXLOWRED = 10 ! Max number of times min time step lowered\n INTEGER, PARAMETER :: MXLOWRED = 20 ! Max number of times min time step lowered\n \n REAL( 8 ), PARAMETER :: CONCOFM = 1000000.0D0 ! Concentration of M\n REAL( 8 ), PARAMETER :: ONE = 1.0D0\n REAL( 8 ), PARAMETER :: ZERO = 0.0D0\n REAL( 8 ), PARAMETER :: PT2 = 0.2D0\n REAL( 8 ), PARAMETER :: PT003 = 0.003D0\n REAL( 8 ), PARAMETER :: OMIC = 0.000001D0\n REAL( 8 ), PARAMETER :: OPT2MIC = 0.0000012D0\n REAL( 8 ), PARAMETER :: OPT3MIC = 0.0000013D0\n REAL( 8 ), PARAMETER :: OPT4MIC = 0.0000014D0\n REAL( 8 ), PARAMETER :: DTMIN_DEGRADE = 90.0D0 ! WTH: Minimum degradation time step (sec) \n\nC..EXTERNAL FUNCTIONS: None\n\nC..SAVED LOCAL VARIABLES: None\n LOGICAL, SAVE :: LFIRST = .TRUE. ! Flag for first call to this subroutine\n\nC..LOCAL VARIABLES:\n CHARACTER( 16 ) :: PNAME = 'SMVGEAR' ! Procedure name\n CHARACTER( 132 ) :: MSG = ' ' ! Message text\n CHARACTER( 12 ) :: REAL_CLOCK( 3 )\n \n LOGICAL HIGHER_ORDER ! use next order for relative timestep\n \n INTEGER COL ! Column number of cell\n INTEGER EXITSTAT ! Exit status code\n INTEGER I ! Pointer to species location in arrays\n INTEGER I1 ! Pointer to deriv location in arrays\n INTEGER IDOUB ! Counter for testing order and step size\n INTEGER IFSUCCESS ! Flag for successful time step, 1=Y,0=N\n INTEGER IPTR ! Pointer for array holding the P matrix\n INTEGER ISCHAN1 ! One less than # of chemistry species\n INTEGER ISPC, JSPC ! Loop index for species\n INTEGER ISPNEW ! Index for species in sorted order\n INTEGER ISPOLD, JSPOLD ! Index for species in original order\n INTEGER J, JB ! Loop indices for order\n INTEGER JEVAL ! Flag for Jacobian update (1=yes)\n INTEGER JFAIL ! # of error test failures in one step\n INTEGER JRESTAR ! Counter for # of restarts\n INTEGER JS1 ! Loop index for derivative location\n INTEGER JSPC1, JSPC2 ! Pointers to species locations in arrays\n INTEGER JSPC3 ! Pointers to species locations in arrays\n INTEGER KSTEP ! Current order + 1\n INTEGER L3 ! Newton iteration counter\n INTEGER LEV ! Level number of cell\n INTEGER NCELL ! Loop index for cell number\n INTEGER NEGFLAG ! Flag for negative corrected concs\n INTEGER NQQ ! Order of current time step\n INTEGER NQISC ! Product of order and number of species\n INTEGER NQQISC ! Current order times # of species\n INTEGER NQQOLD ! Order of previous time step\n INTEGER NQUSED ! Order of last successful step\n INTEGER NRX ! Loop index for # of reactions\n INTEGER NSLP ! Last step number for a Jacobian update\n INTEGER NTRCFAIL ! Conv. failure count for trace output\n INTEGER NTREFAIL ! Error test failure count for trace output\n INTEGER NTRNEWT ! Newton iteration count for trace output\n INTEGER NTRPDV ! Jacobian update count for trace output\n INTEGER NTRSTEP ! Step count for trace output\n INTEGER NTRSUB ! RHS evaluation count for trace output\n INTEGER NUMCELL ! Number of cell as currently ordered\n INTEGER NYLOWRED ! Number of times min time step lowered\n INTEGER ROW ! Row number of cell\n INTEGER SPC ! species index\n INTEGER IOS ! Allocate status\n INTEGER NCELLMAX ! cell with maximum total error\n\n INTEGER, SAVE :: S_DATE_TIME( 8 )\n INTEGER, SAVE :: F_DATE_TIME( 8 )\n INTEGER, SAVE :: NSPCS1 ! # of species plus 1\n\n INTEGER, ALLOCATABLE, SAVE :: DUMMY( : ) ! Dummy array for IRR call\n REAL( 8 ) :: DTCELL ! Time step for each cell for IRR\n REAL( 8 ), ALLOCATABLE, SAVE :: CIRR ( :, : ) ! Species concs for IRR analysis\n REAL( 8 ), ALLOCATABLE, SAVE :: RKIRR( :, : ) ! Rate constants for IRR analysis\n \n REAL( 8 ) :: ABST2 ! Inverse of time step squared\n REAL( 8 ) :: ASN1 ! Gear BDF coefficient\n REAL( 8 ) :: CCONOUT ! Debug corrected concentration\n REAL( 8 ) :: CHEMSTEP ! Chemistry integration interval (min)\n REAL( 8 ) :: CONSMULT ! Parameter to increase order\n REAL( 8 ) :: DCON ! Convergence test parameter \n REAL( 8 ) :: DELT ! Size of Gear time step \n REAL( 8 ) :: DER1MAX ! Max rms error for current order-1\n REAL( 8 ) :: DER2MAX ! Max rms error for current order\n REAL( 8 ) :: DER3MAX ! Max rms error for current order+1\n REAL( 8 ) :: DRATE ! Convergence test parameter\n REAL( 8 ) :: DT_DEGRADE ! WTH: Time step for degradation routine (sec)\n REAL( 8 ) :: EDWN ! Trunc. error parameter for order - 1\n REAL( 8 ) :: ENQQ ! Trunc. error parameter for current order\n REAL( 8 ) :: EPS ! Gear relative error tolerance used\n REAL( 8 ) :: EPS1 ! reciprocal of relative error tolerance\n REAL( 8 ) :: EPSLOW ! Relative tolerance used in h0 calc\n REAL( 8 ) :: ERRYMAX ! Error term \n REAL( 8 ) :: EUP ! Trunc. error parameter for order + 1\n REAL( 8 ) :: HLAST ! Size of previous successful time step\n REAL( 8 ) :: HRATIO ! Relative change in a*h\n REAL( 8 ) :: HRATNTR ! Ratio of current to previous step size\n REAL( 8 ) :: HRMAX ! Max relative change in a*h allowed\n REAL( 8 ) :: HUSED ! Size of current successful time step\n REAL( 8 ) :: H0FAC ! Factor to apply to first step size\n REAL( 8 ) :: ORDER ! # of dc/dt equations\n REAL( 8 ) :: PR1 ! 1.0 / time-step at current order - 1\n REAL( 8 ) :: PR2 ! 1.0 / time-step at current order\n REAL( 8 ) :: PR3 ! 1.0 / time-step at current order + 1\n REAL( 8 ) :: RDELMAX ! Max relative step size change allowed\n REAL( 8 ) :: RDELT ! Time-step ratio\n REAL( 8 ) :: RDELTA ! Product of time step ratios\n REAL( 8 ) :: RDELTDN ! Time step at current order - 1\n REAL( 8 ) :: RDELTSM ! Time step at current order \n REAL( 8 ) :: RDELTUP ! Time step at current order + 1 \n REAL( 8 ) :: RMSERR = 0.0D0 ! Max RMS error for convergence test\n REAL( 8 ) :: RMSERRP ! Previous max RMS error for\n REAL( 8 ) :: RMSRAT ! Convergence rate\n REAL( 8 ) :: RMSTOP ! Max sum of squares of error estimates\n REAL( 8 ) :: TIMREMAIN ! Remaining integration time (min)\n REAL( 8 ) :: TOLD ! Elapsed time at previous step (min)\n REAL( 8 ) :: XELAPS ! Elasped time (min)\n REAL( 8 ), ALLOCATABLE, SAVE :: DELY ( : ) ! Sum of squares of error estimates\n REAL( 8 ), ALLOCATABLE, SAVE :: CEST ( :,: ) ! Error estimates for previous step \n REAL( 8 ), ALLOCATABLE, SAVE :: CHOLD( :,: ) ! Factor for error tests\n REAL( 8 ), ALLOCATABLE, SAVE :: DTLOS( :,: ) ! Correction array for Newton iter.\n REAL( 8 ), ALLOCATABLE, SAVE :: CONC ( :,: ) ! Old concs and derivatives \n REAL( 8 ), ALLOCATABLE, SAVE :: ERROR_CNEW ( :,: ) ! error in species predictions\n REAL( 8 ), ALLOCATABLE, SAVE :: YNEW_DEGRADE( :,:) ! concs for degradation routines\n REAL( 8 ), ALLOCATABLE, SAVE :: YLOWA( : ) ! Gear absolute error tolerance used\n REAL( 8 ), ALLOCATABLE, SAVE :: YLOWEPS( : ) ! Tolerance ratio used in h0 calc\n REAL( 8 ), ALLOCATABLE, SAVE :: YLOWEPS1( : ) ! Absolute tol over relative tol\n\n\n\nC********************************************************************** \n\n IF ( LFIRST ) THEN\n LFIRST = .FALSE.\n\n NSPCS1 = NUMB_MECH_SPC + 1\n \n ALLOCATE ( CEST ( BLKSIZE, NSPCS1 ),\n & CHOLD( BLKSIZE, NUMB_MECH_SPC ),\n & DTLOS( BLKSIZE, NSPCS1 ),\n & CONC ( BLKSIZE, NUMB_MECH_SPC*MXORDER ),\n & ERROR_CNEW( BLKSIZE, NUMB_MECH_SPC ),\n & YNEW_DEGRADE( BLKSIZE, NSPCSD),\n & DELY( BLKSIZE ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = '*** Memory allocation failure for '\n & // 'CEST, CHOLD, DTLOS, CONC, YNEW_DEGRADE, or DELY'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 ) \n END IF\n\n ALLOCATE ( YLOWA ( BLKSIZE ),\n & YLOWEPS ( BLKSIZE ),\n & YLOWEPS1( BLKSIZE ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = '*** Memory allocation failure for '\n & // 'YLOWA, YLOWEPS, or YLOWEPS1'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 ) \n END IF\n! initial absolute tolerance to run script option \n YLOWA = YLOW( 1 ) \n\n! IF ( LIRRFLAG ) THEN\n ALLOCATE ( CIRR( BLKSIZE, NUMB_MECH_SPC ),\n & DUMMY( BLKSIZE ),\n & RKIRR( BLKSIZE, NRXNS ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = '*** Memory allocation failure for '\n & // 'CIRR, DUMMY, DTCELL, or RKIRR'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 ) \n END IF\n \n! END IF\n\n END IF\n\n#ifdef sens\n CAVEG = 0.0D0\n#endif\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Set up for debug output and initialize variables\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n NSUBFUN = 0 \n NPDERIV = 0 \n NSTEPS = 0\n NUMNEWT = 0\n NCFAIL = 0\n NEFAIL = 0\n MXORDUSED = 0\n NUMBKUPS = 0\n IRSTART = -1\n NYLOWRED = 0\n IF ( LORDERING ) THEN\n YLOWA = YLOW( 1 )\n ELSE\n CALL OPTIMAL_ATOL_PPM( CNEW, NUMCELLS, YLOWA )\n END IF\n EPS = ERRMAX( NCS ) \n EPS1 = 1.0D0 / EPS\n EPSLOW = MIN( EPS, PT003 )\n ISCHAN = ISCHANG( NCS )\n ISCHAN1 = ISCHAN - 1\n ORDER = REAL( ISCHAN, 8 )\n JFAIL = 0\n IF( LSUNLIGHT ) THEN\n H0FAC = 0.0625D0\n ELSE\n H0FAC = 1.0D0\n ENDIF\n CHEMSTEP = CHSTEP\n ABST2 = 1.0D0 / ( CHEMSTEP * CHEMSTEP )\n\n IF( LIRRFLAG ) THEN\n DO NRX = 1, NRXNS\n DO NCELL = 1, NIRRCLS\n RKIRR( NCELL, NRX ) = RK( IRRCELL( NCELL ), NRX )\n ENDDO\n ENDDO\n ENDIF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Enter here either at beginning of interval or if delt < hmin\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n LOOP_BEGIN: DO \n IFSUCCESS = 1\n IDOUB = 2\n XELAPS = 0.0D0 \n TOLD = XELAPS\n RDELMAX = 10000.0D0\n NSLP = MBETWEEN\n JRESTAR = 0 \n HRMAX = 0.3D0\n HRATIO = 0.0D0\n ASN1 = 1.0D0\n YLOWEPS1 = YLOWA * EPS1 \n TIMREMAIN = CHEMSTEP\nC:WTH \n DT_DEGRADE = 0.0D0 \n \n\n LOOP_INITIALIZE: DO\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Calculate initial values of first derivatives and do debug output \nc if necessary\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n CALL SUBFUN\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc At the integration start or restart (e.g., the first time-step \nc or if excessive failures occur), the time-step is predicted with\nc the formula from LSODES (Hindmarsh and Sherman, 1983 - ODEPACK).\nc However, if the cells are being reordered, return after estimating\nc the stiffness.\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n YLOWEPS = YLOWA / EPSLOW \n DO NCELL = 1, NUMCELLS\n DELY( NCELL ) = 0.0D0\n ENDDO \n \nc...compute sum of squares of dcdt/conc\n DO 220 JSPC = 1, ISCHAN \n DO 220 NCELL = 1, NUMCELLS \n ERRYMAX = GLOSS( NCELL, JSPC ) / \n & ( CNEW( NCELL, JSPC ) + YLOWEPS( NCELL ) )\n DELY( NCELL ) = DELY( NCELL ) + ERRYMAX * ERRYMAX \n ERROR_CNEW(NCELL,JSPC) = ERRYMAX\n 220 CONTINUE\n \nc.....if reordering, store stiffness estimate and return \n IF( LORDERING ) THEN\n DO NCELL = 1, NUMCELLS \n ERRMX2( OFFSET + NCELL ) = DELY( NCELL )\n ENDDO\n RETURN\n ENDIF\n \nc.....get largest stiffness estimate and compute from \nc.....sqrt(rmstop / [epslow * order]) = rmsnorm of error scaled \nc.....to epslow * cnew + ylow\n RMSTOP = 0.0\n DO 260 NCELL = 1, NUMCELLS\n IF( DELY( NCELL ) .GT. RMSTOP ) THEN\n RMSTOP = DELY( NCELL ) \n END IF\n 260 CONTINUE\n DELT = SQRT( EPSLOW / ( ABST2 + RMSTOP / ORDER ) ) * H0FAC\n DELT = MIN( DELT, CHEMSTEP ) \n DELT = MIN( DELT, HMAX ) \n DELT = MAX( DELT, HMIN )\n NQQ = 1\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Store initial concentration and first derivatives x time-step and\nc initialize/save some data \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n DO 280 JSPC = 1, ISCHAN \n JS1 = ISCHAN + JSPC\n DO 280 NCELL = 1, NUMCELLS\n CONC( NCELL, JSPC ) = CNEW( NCELL, JSPC )\n CONC( NCELL, JS1 ) = DELT * GLOSS( NCELL, JSPC ) \n 280 CONTINUE\n \n NQQOLD = 0\n RDELT = 1.0D0 \n JEVAL = 1\n \n IF( LIRRFLAG ) THEN\n DTCELL = 0.0D0\n DO I = 1, ISCHAN\n DO NCELL = 1, NIRRCLS\n CIRR( NCELL, I ) = BLKCONC( IRRCELL( NCELL ), I )\n ENDDO\n ENDDO\n CALL PA_IRR ( .TRUE., .FALSE., RKIRR, CIRR, DTCELL, \n & NIRRCLS, DUMMY )\n ENDIF\n \n IF( CALL_DEG ) THEN !:WTH Initialize for degradation routines\n YNEW_DEGRADE = 0.0D0\n DO I = 1, ISCHAN\n SPC = CGRID_INDEX( I )\n DO NCELL = 1, NUMCELLS\n YNEW_DEGRADE( NCELL,SPC ) = BLKCONC( NCELL, I )\n END DO\n END DO\n ENDIF\n \n#ifdef sens\n DO ISPOLD = 1, ISCHAN\n DO NCELL = 1, NUMCELLS\n CFINI( NCELL,ISPOLD ) = BLKCONC( NCELL,ISPOLD )\n END DO\n END DO\n#endif\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Update coefficients of the order. NQQ is the order. ASET and \nc PERTST are defined in SUBROUTINE JSPARSE. Note that PERTST \nc is the original pertst**2. Also, exit smvgear if we reach the \nc end of the time-interval\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n LOOP_ORDER: DO\n \n HIGHER_ORDER = .TRUE.\n TIMREMAIN = CHEMSTEP - XELAPS\n IF( NSTEPS .EQ. 0 ) IRSTART = IRSTART + 1\n \n \nc.....quit or update coefficients\n IF( TIMREMAIN .LE. OMIC )EXIT LOOP_BEGIN\n \n IF( NQQ .NE. NQQOLD ) THEN\n NQQOLD = NQQ \n KSTEP = NQQ + 1\n HRATIO = HRATIO * ASET( NQQ, 1 ) / ASN1\n ASN1 = ASET( NQQ, 1 ) \n ENQQ = PERTST( NQQ, 1 ) * ORDER\n EUP = PERTST( NQQ, 2 ) * ORDER \n EDWN = PERTST( NQQ, 3 ) * ORDER \n NQQISC = NQQ * ISCHAN \n ENDIF\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Update the time step and do debug output if necessary\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n RDELT = MIN( RDELT, RDELMAX, HMAX/DELT, TIMREMAIN/DELT )\n DELT = DELT * RDELT\n HRATIO = HRATIO * RDELT\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc If delt < hmin, decrease ylowa and re-start the time-interval\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF( DELT .LT. HMIN ) THEN\n WRITE( MSG, 94000 ) DELT, XELAPS, TIMREMAIN, MAXVAL(YLOWA), EPS\n CALL M3MESG( MSG ) \n WRITE( MSG, 94010 ) NSTEPS, BLKID, IRUN, NQQ\n CALL M3MESG( MSG ) \n WRITE( MSG, 94015 ) RDELT, DER2MAX, ENQQ\n CALL M3MESG( MSG ) \n YLOWA = YLOWA * 0.1 \n NYLOWRED = NYLOWRED + 1\n IF( NYLOWRED .LT. MXLOWRED ) THEN\n DO 340 ISPNEW = 1, ISCHAN \n ISPOLD = INEW2OLD( ISPNEW, NCS )\n DO 340 NCELL = 1, NUMCELLS\n CNEW( NCELL, ISPNEW ) = BLKCONC( NCELL, ISPOLD )\n 340 CONTINUE\n CYCLE LOOP_BEGIN\n ELSE\n \n WRITE(LOGDEV,'(A16,6(1X,A12))')'CHEMSTRY_SPECIES',' Pred.Conc ',' Init.Conc ',' Squar.Erro '\n DO ISPOLD = 1, ISCHAN\n ISPNEW = IOLD2NEW( ISPOLD, NCS )\n WRITE(LOGDEV,'(A16,6(1X,ES12.4))')CHEMISTRY_SPC(ISPOLD),\n & CNEW( NCELLMAX, ISPNEW ), BLKCONC( NCELLMAX, ISPOLD ),\n & (ERROR_CNEW(NCELLMAX,ISPNEW)*ERROR_CNEW(NCELLMAX,ISPNEW))\n END DO\n write(logdev,'(A,ES12.4)')'For error = ',DELY( NCELLMAX )\n WRITE(LOGDEV,'(A16,3(1X,A12))')'Reaction.Label',' Rate.Const ',' React.Rate '\n DO J = 1,NRXNS\n WRITE(LOGDEV,'(A16,3(1X,ES12.4))')RXLABEL(J),RK(NCELLMAX,J),RXRAT(NCELLMAX,J)\n END DO\n \n WRITE( MSG, 94020 )\n CALL M3EXIT( 'SMVGEAR', JDATE, JTIME, MSG, XSTAT2 ) \n ENDIF\n ENDIF\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc \nc If delt is different than during the last step (if rdelt.ne.1),\nc scale the derivatives\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF( RDELT .NE. 1.0 ) THEN\n RDELTA = 1.0\n I1 = 1\n DO 360 J = 2, KSTEP \n RDELTA = RDELTA * RDELT \n I1 = I1 + ISCHAN \n DO 360 I = I1, I1 + ISCHAN1\n DO 360 NCELL = 1, NUMCELLS\n CONC( NCELL, I ) = CONC( NCELL, I ) * RDELTA \n 360 CONTINUE\n ENDIF\n IF( RDELT .LT. 1.0 ) NUMBKUPS = NUMBKUPS + 1\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc If the last step was successful, reset rdelmax = 10 and update\nc the chold array with current values of cnew.\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF( IFSUCCESS .EQ. 1 ) THEN\n RDELMAX = 10.0\n IF( MOD( NSTEPS,3 ) .EQ. 2 )THEN\n CALL OPTIMAL_ATOL_PPM( CNEW, NUMCELLS, YLOWA ) \n END IF \n YLOWEPS1 = YLOWA * EPS1 \n DO 380 JSPC = 1, ISCHAN\n DO 380 NCELL = 1, NUMCELLS\n CHOLD( NCELL, JSPC ) = EPS1 / \n & ( ABS( CNEW( NCELL, JSPC ) ) + YLOWEPS1(NCELL) )\n 380 CONTINUE\n ENDIF\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc PREDICTION\nc Check whether the Jacobian should be updated, compute the predicted \nc concentration and derivatives by multiplying previous values by\nc the pascal triangle matrix, and do debug output if necessary\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF( ABS( HRATIO-1.0 ) .GT. HRMAX. OR. NSTEPS .GE. NSLP ) JEVAL = 1\n XELAPS = XELAPS + DELT \n I1 = NQQISC + 1\n DO 400 JB = 1, NQQ\n I1 = I1 - ISCHAN\n DO 400 I = I1, NQQISC\n J = I + ISCHAN\n DO 400 NCELL = 1, NUMCELLS\n CONC( NCELL, I ) = CONC( NCELL, I ) + CONC( NCELL, J )\n 400 CONTINUE\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc NEWTON ITERATION\nc This is the top of the corrector loop. Take up to mstep corrector \nc iterations. Test convergence by requiring that changes be less\nc than the rms norm weighted by chold. Accumulate the correction in\nc the array dtlos(). It equals the j-th derivative of conc() \nc multiplied by delt**kstep / (factorial(kstep-1)*ASET(kstep)); thus, \nc it is proportional to the actual errors to the lowest power of\nc delt present (delt**kstep)\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n 440 L3 = 0\n \nc.....Increment counter, initialize cnew, and zero the correction array\n NUMNEWT = NUMNEWT + 1\n DO 460 I = 1, ISCHAN\n DO 460 NCELL = 1, NUMCELLS\n CNEW( NCELL, I ) = CONC( NCELL, I )\n DTLOS( NCELL, I ) = 0.0D0\n 460 CONTINUE\n \nc.....If JEVAL = 1, re-evaluate predictor matrix before starting the\nc.....corrector iteration. After calling PDERIV and DECOMP, set \nc.....JEVAL = -1 to prevent recalling PDERIV until necessary \n IF( JEVAL .EQ. 1 ) THEN\n R1DELT = -ASN1 * DELT\n CALL PDERIV \n CALL DECOMP\n JEVAL = -1 \n HRATIO = 1.0D0\n NSLP = NSTEPS + MBETWEEN\n DRATE = 0.70D0\n ENDIF\n \nc.....evaluate the first derivative using latest cnew and do debug\nc.....output if necessary\n 520 CONTINUE\n CALL SUBFUN\n \nc.....compute error (gloss) from the corrected calculation of the \nc.....first derivative and do debug output if necessary\n DO 620 ISPC = 1, ISCHAN\n JSPC = ISPC + ISCHAN\n DO 620 NCELL = 1, NUMCELLS\n GLOSS( NCELL, ISPC ) = DELT * GLOSS( NCELL, ISPC ) -\n & ( CONC( NCELL, JSPC ) +\n & DTLOS( NCELL, ISPC ) )\n 620 CONTINUE\n \nc.....Solve the linear system of equations with the corrector error.\nc.....Backsub.f originally from numerical recipes (Press et al.)\n CALL BACKSUB\n \n \nc.....Sum-up the accumulated error, correct the concentration with the\nc.....error, and begin to calculate the rmsnorm of the error relative\nc.....to chold. If a negative conc occurs, treat it like a \nc.....convergence failure.\n DO NCELL = 1, NUMCELLS\n DELY( NCELL ) = 0.0D0\n ENDDO \n \n NEGFLAG = + 1\n DO 700 ISPC = 1, ISCHAN\n DO 700 NCELL = 1, NUMCELLS\n DTLOS( NCELL, ISPC ) = DTLOS( NCELL, ISPC ) +\n & GLOSS( NCELL, ISPC )\n CNEW( NCELL, ISPC ) = CONC( NCELL, ISPC ) + ASN1 * \n & DTLOS( NCELL ,ISPC )\n ERRYMAX = GLOSS( NCELL, ISPC ) * CHOLD( NCELL, ISPC )\n DELY( NCELL ) = DELY( NCELL ) + ERRYMAX * ERRYMAX\n ERROR_CNEW(NCELL,ISPC) = ERRYMAX\n 700 CONTINUE\n NEGFLAG = 0\n \nc....Save the previous rms error and calculate the new rms error.\n RMSERRP = RMSERR\n DER2MAX = 0.0D0\n DO NCELL = 1, NUMCELLS\n IF( DELY( NCELL ).GT.DER2MAX )THEN\n DER2MAX = DELY( NCELL ) \n NCELLMAX = NCELL\n END IF\n ENDDO\n RMSERR = SQRT( DER2MAX / ORDER )\n L3 = L3 + 1\n RMSRAT = 0.0D0\n IF( L3.GT.1 ) THEN\n RMSRAT = RMSERR / RMSERRP\n DRATE = MAX( 0.2 * DRATE, RMSRAT )\n ENDIF\n \nc....If dcon < 1, then sufficient convergence has occurred. Otherwise,\nc....if the ratio of the current to previous rmserr is decreasing,\nc....iterate more. If it is not, then the convergence test failed.\n DCON = RMSERR * MIN( CONPST( NQQ ), CONP15( NQQ ) * DRATE )\n IF( DCON .LE. 1.0 ) GO TO 780 ! convergence achieved\n \n \n IF( L3 .LT. MSTEP ) GO TO 520 ! continue Newton Iteration\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc CONVERGENCE FAILURE\nc The next block of code is executed when the convergence test fails.\nc If the Jacobian matrix is more than one step old, update it and\nc try for convergence again. If the Jacobian is current, reduce the \nc time-step, re-set the accumulated derivatives to their values\nc before the failed step, and retry with the smaller step.\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n NCFAIL = NCFAIL + 1\n \n IF( JEVAL .EQ. 0 ) THEN\n JEVAL = 1\n GO TO 440 ! restart Newton Iteration with updated Jacobian\n ENDIF\n RDELMAX = 2.0\n XELAPS = TOLD\n RDELT = FRACDEC\n JEVAL = 1\n IFSUCCESS = 0\n I1 = NQQISC + 1\n DO 760 JB = 1, NQQ\n I1 = I1 - ISCHAN\n DO 760 I = I1, NQQISC\n J = I + ISCHAN\n DO 760 NCELL = 1, NUMCELLS\n CONC( NCELL, I ) = CONC( NCELL, I ) - CONC( NCELL, J )\n 760 CONTINUE\n \n \n CYCLE LOOP_ORDER \n \nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc CONVERGENCE ACHIEVED\nc The program comes here when the corrector iteration converges. Set\nc JEVAL = 0 so that it does not need to be called on the next step and\nc then test the accumulated error.\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n 780 JEVAL = 0\n \n \n IF( L3 .GT. 1 ) THEN\n DO NCELL = 1, NUMCELLS\n DELY( NCELL ) = 0.0D0\n ENDDO\n DO 840 JSPC = 1, ISCHAN \n DO 840 NCELL = 1, NUMCELLS \n ERRYMAX = DTLOS( NCELL, JSPC ) * CHOLD( NCELL, JSPC )\n DELY( NCELL ) = DELY( NCELL ) + ERRYMAX * ERRYMAX\n ERROR_CNEW(NCELL,JSPC) = ERRYMAX\n 840 CONTINUE\n DER2MAX = 0.0D0\n DO NCELL = 1, NUMCELLS\n IF( DELY( NCELL ) .GT. DER2MAX )THEN\n DER2MAX = DELY( NCELL ) \n NCELLMAX = NCELL\n END IF\n ENDDO\n ENDIF\n \n IF( DER2MAX .GT. ENQQ ) THEN\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc ERROR TEST FAILURE\nc The next block of code is executed when the error test fails. In \nc all cases, the derivatives are re-set to their values before trying\nc this time-step. Then,\nc (a) if the number of error test failures is LE 6, the time-step\nc is re-estimated at the same or one lower order and the step\nc retried; \nc (b) if the number of failures is GT 6 and LE 20, the time-step is\nc lowered by fracdec and the step retried;\nc (c) If the number of failures is GT 20, the order is reset to one,\nc the time-step lowered by 0.1, and the step retried;\nc (d) if the number of failures is GE 100, the program is stopped.\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n NEFAIL = NEFAIL + 1\n \n XELAPS = TOLD\n JFAIL = JFAIL + 1\n I1 = NQQISC + 1\n DO 880 JB = 1, NQQ\n I1 = I1 - ISCHAN\n DO 880 I = I1, NQQISC\n J = I + ISCHAN\n DO 880 NCELL = 1, NUMCELLS\n CONC( NCELL, I ) = CONC( NCELL, I ) - CONC( NCELL, J )\n 880 CONTINUE\n RDELMAX = 2.0D0\n \n IF( JFAIL .LE. 6 ) THEN\n IFSUCCESS = 0 \n RDELTUP = 0.0D0\n HIGHER_ORDER = .FALSE.\n ELSEIF( JFAIL .LE. 20 ) THEN\n IFSUCCESS = 0 \n RDELT = FRACDEC\n CYCLE LOOP_ORDER\n ELSE\n IFSUCCESS = 1 \n DELT = DELT * 0.1D0\n RDELT = 1.0D0\n JFAIL = 0 \n JRESTAR = JRESTAR + 1\n IDOUB = 5\n DO 900 I = 1, ISCHAN\n DO 900 NCELL = 1, NUMCELLS\n CNEW( NCELL, I ) = CONC( NCELL, I )\n 900 CONTINUE\n WRITE( MSG, 94040 ) DELT, XELAPS \n IF( JRESTAR .EQ. 100 ) THEN\n MSG = 'Integration stopped because of excessive errors.'\n CALL M3EXIT( 'SMVGEAR', JDATE, JTIME, MSG, XSTAT2 )\n ENDIF\n CYCLE LOOP_INITIALIZE\n ENDIF\n \n ELSE \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc ERROR TEST PASSED\nc The following block of code is executed when the error test is\nc passed (i.e., the step was successful). Reset JFAIL = 0, set \nc IFSUCCESS = 1, reset TOLD, increment NSTEPS, update the\nc concentration and all derivatives, zero concentrations and \nc derivatives below the specified lower concentration bound, do\nc any requested outputs, and go the end if this is the last step.\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n JFAIL = 0\n IFSUCCESS = 1\n TOLD = XELAPS\n NSTEPS = NSTEPS + 1\n NQUSED = NQQ\n HUSED = DELT\n MXORDUSED = MAX( MXORDUSED, NQUSED )\n \n I1 = 1 - ISCHAN\n DO 920 J = 1, KSTEP\n I1 = I1 + ISCHAN\n DO 920 I = I1, I1 + ISCHAN1\n JSPC = I - I1 + 1\n DO 920 NCELL = 1, NUMCELLS\n CONC( NCELL, I ) = CONC( NCELL, I ) + ASET( NQQ, J ) *\n & DTLOS( NCELL, JSPC )\n 920 CONTINUE\n \n DO 940 I = 1, ISCHAN\n DO 940 NCELL = 1, NUMCELLS\n IF( CONC( NCELL, I ) .LE. CONCMIN ) THEN\n CONC( NCELL, I ) = ZBOUND\n CNEW( NCELL, I ) = ZBOUND\n CONC( NCELL, I + ISCHAN ) = 0.0D0\n CONC( NCELL, I + 2 * ISCHAN ) = 0.0D0\n CONC( NCELL, I + 3 * ISCHAN ) = 0.0D0\n CONC( NCELL, I + 4 * ISCHAN ) = 0.0D0\n CONC( NCELL, I + 5 * ISCHAN ) = 0.0D0\n ENDIF\n 940 CONTINUE \n \n IF( LIRRFLAG ) THEN\n DTCELL = DELT\n DO I = 1, ISCHAN\n ISPOLD = INEW2OLD( I, NCS )\n DO NCELL = 1, NIRRCLS\n CIRR( NCELL, ISPOLD ) = CONC( IRRCELL( NCELL ), I )\n ENDDO\n ENDDO\n CALL PA_IRR ( .FALSE., .FALSE., RKIRR, CIRR, DTCELL, \n & NIRRCLS, DUMMY )\n ENDIF\n \n IF( CALL_DEG ) THEN !:WTH update DT_DEGRADE and apply\n DT_DEGRADE = 60.0D0 * DELT + DT_DEGRADE\n IF( DT_DEGRADE .GE. DTMIN_DEGRADE .OR. ( CHEMSTEP - XELAPS ) .LE. OMIC ) THEN\n DO I = 1, ISCHAN\n ISPOLD = INEW2OLD( I, NCS )\n SPC = CGRID_INDEX( ISPOLD )\n DO NCELL = 1, NUMCELLS\n YNEW_DEGRADE( NCELL, SPC ) = CONC( NCELL, I )\n ENDDO\n ENDDO\n CALL DEGRADE_BLK( YNEW_DEGRADE, DT_DEGRADE, JDATE, JTIME, BLKID )\n DT_DEGRADE = 0.0D0\n ENDIF\n ENDIF\n \n#ifdef sens \n DO ISPOLD = 1, ISCHAN\n ISPNEW = IOLD2NEW( ISPOLD,1 )\n DO NCELL = 1, NUMCELLS\n CAVEG( NCELL, ISPOLD ) = CAVEG( NCELL, ISPOLD )\n & + 0.5D0 * ( CFINI( NCELL, ISPOLD ) + CONC( NCELL, ISPNEW ) )\n & * DELT\n CFINI( NCELL, ISPOLD ) = CONC( NCELL, ISPNEW )\n ENDDO\n ENDDO\n#endif \n \n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc SELECTION OF NEXT TIME-STEP\nc The next block of code determines the next whether to test the \nc time-step and order for a change. IDOUB counts the number of \nc successful steps before testing for a change.\nc If IDOUB > 1, decrease IDOUB and go on to the next time-step with\nc the current step-size and order.\nc If IDOUB = 1, store the value of the error (DTLOS) for the time- \nc step prediction, which will occur when idoub = 0,\nc but go on to the next step with the current step-\nc size and order. \nc If IDOUB = 0, test the time-step and order for a change. \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF( IDOUB .GT. 1 ) THEN\n IDOUB = IDOUB - 1\n IF( IDOUB .EQ. 1 ) THEN\n DO 980 JSPC = 1, ISCHAN, 2 \n JSPC1 = JSPC + 1\n DO 980 NCELL = 1, NUMCELLS\n CEST( NCELL, JSPC ) = DTLOS( NCELL, JSPC )\n CEST( NCELL, JSPC1 ) = DTLOS( NCELL, JSPC1 )\n 980 CONTINUE\n ENDIF\n RDELT = 1.0\n \n CYCLE LOOP_ORDER\n ENDIF\n \n ENDIF ! End of error test block\n\n IF( HIGHER_ORDER )THEN\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc The following block of code gets estimates for the next step-size by \nc computing step sizes at the curent order, one order higher than\nc the current order, and one order lower than the current order.\nc In each case, the smallest step-size among all cells is selected.\nc The final step-size and order selected are the ones that give the\nc largest step-size.\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc.....estimate the time-step ratio at one order higher\n IF( NQQ .LT. MAXORD ) THEN \n DO NCELL = 1, NUMCELLS\n DELY( NCELL ) = 0.0D0\n ENDDO\n DO 1020 JSPC = 1, ISCHAN \n DO 1020 NCELL = 1, NUMCELLS \n ERRYMAX = ( DTLOS( NCELL, JSPC ) - \n & CEST( NCELL, JSPC ) ) * CHOLD( NCELL, JSPC )\n DELY( NCELL ) = DELY( NCELL ) + ERRYMAX * ERRYMAX\n ERROR_CNEW(NCELL,JSPC) = ERRYMAX\n 1020 CONTINUE\n DER3MAX = 0.0D0\n DO NCELL = 1, NUMCELLS\n IF( DELY( NCELL ) .GT. DER3MAX )THEN\n DER3MAX = DELY( NCELL ) \n NCELLMAX = NCELL\n END IF\n ENDDO \n PR3 = 1.4 * ( DER3MAX / EUP ) ** ENQQ3( NQQ )\n RDELTUP = 1.0D0 / ( PR3 + OPT4MIC )\n ELSE\n RDELTUP = 0.0D0\n ENDIF\n END IF ! HIGHER_ORDER\n HIGHER_ORDER = .TRUE.\n \nc.....estimate the time-step ratio at the current order\n 1060 PR2 = 1.2D0 * ( DER2MAX / ENQQ ) ** ENQQ2( NQQ )\n RDELTSM = 1.0D0 / ( PR2 + OPT2MIC )\n \nc.....estimate the time-step ratio at one order lower\n IF( NQQ .GT. 1 ) THEN\n DO NCELL = 1, NUMCELLS\n DELY( NCELL ) = 0.0D0\n ENDDO\n DO 1100 JSPC = 1, ISCHAN \n I = JSPC + ( KSTEP - 1 ) * ISCHAN\n DO 1100 NCELL = 1, NUMCELLS \n ERRYMAX = CONC( NCELL, I ) * CHOLD( NCELL, JSPC )\n DELY( NCELL ) = DELY( NCELL ) + ERRYMAX * ERRYMAX\n ERROR_CNEW(NCELL,JSPC) = ERRYMAX\n 1100 CONTINUE\n DER1MAX = 0.0D0\n DO NCELL = 1, NUMCELLS\n IF( DELY( NCELL ) .GT. DER1MAX )THEN\n DER1MAX = DELY( NCELL ) \n NCELLMAX = NCELL\n END IF\n ENDDO \n PR1 = 1.3D0 * ( DER1MAX / EDWN ) ** ENQQ1( NQQ )\n RDELTDN = 1.0D0 / ( PR1 + OPT3MIC )\n ELSE\n RDELTDN = 0.0D0\n ENDIF\n \nc.....choose the largest of the predicted time-steps ratios \n RDELT = MAX( RDELTSM, RDELTUP, RDELTDN )\n \n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc The next block of code selects the final size of the next time\nc step and then returns to statement 440 to do the next step.\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc.....If the last step was successful and rdelt is small, keep the\nc.....current step and order and require three successful steps before\nc.....re-checking the time-step and order\n IF( RDELT .LT. 1.1 .AND. IFSUCCESS .EQ. 1 ) THEN\n IDOUB = 3\n CYCLE LOOP_ORDER\n ENDIF\n \nc.....If the maximum time-step ratio is that of one order lower than\nc.....the current order, decrease the order. If the current step failed,\nc.....make sure the next step-size is no larger than the current size\n IF( RDELT .EQ. RDELTDN ) THEN\n NQQ = NQQ - 1\n IF( IFSUCCESS .EQ. 0 ) RDELT = MIN( RDELT, ONE )\n ELSEIF( RDELT .EQ. RDELTUP ) THEN\n \nc.....If the maximum time-step ratio is that of one order higher than\nc.....the current order, increase the order and add a derivative term\nc.....for the higher order.\n CONSMULT = ASET( NQQ, KSTEP ) / REAL( KSTEP, 8 )\n NQQ = KSTEP\n NQISC = NQQ * ISCHAN\n DO 1140 JSPC = 1, ISCHAN\n I1 = JSPC + NQISC\n DO 1140 NCELL = 1, NUMCELLS \n CONC( NCELL, I1 ) = DTLOS( NCELL, JSPC ) * CONSMULT\n 1140 CONTINUE\n ENDIF\n\nc.....If the last two steps have failed, minimize the time-step ratio.\nc.....In all cases, re-set idoub to the current order + 1.\n IF( JFAIL .GE. 2 ) RDELT = MIN( RDELT, PT2 )\n IDOUB = NQQ + 1\n END DO LOOP_ORDER\n \nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc The next block of code is performed when the integration has been\nc succesfully completed for the required time period. Set final\nc concentrations, update counters,do any required output, and return\nc to the driver subroutine -- CHEM.\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc \n END DO LOOP_INITIALIZE\n END DO LOOP_BEGIN\n \n DO 1180 ISPC = 1, ISCHAN\n DO 1180 NCELL = 1, NUMCELLS\n IF( CNEW( NCELL, ISPC ) .LE. ZBOUND ) \n & CNEW( NCELL, ISPC ) = CONCMIN\n 1180 CONTINUE\n \n#ifdef sens \n CHEMSTEP = 1.0D0 / CHEMSTEP\n DO I = 1, ISCHAN\n DO NCELL = 1, NUMCELLS\n CAVEG( NCELL,I ) = MAX( CAVEG( NCELL,I )*CHEMSTEP,CONCMIN )\n ENDDO\n ENDDO\n#endif\n \n RETURN\n\nC********************** FORMAT STATEMENTS ******************************\n \n93000 FORMAT( /1X, 'Rate constants and reaction rates',\n & ' used for irun=',I4,', nstep=',I4,', nsubfun=',I4,\n & ' delt=0.0' )\n93020 FORMAT( 1X, 'n= ', I3, ' k=', 1PE20.8, ' R=', 1PE20.8 )\n93040 FORMAT( /1X, 'Species concentrations used for irun=', I4,\n & ' nstep=', I4, ' nsubfun=', I4 )\n93060 FORMAT( 1X, 'C= ', I3, 2X, A4, 2X, 1PE20.8 )\n93080 FORMAT( 1X, 'C= ', I3, 2X, 'M ', 2X, 1PE20.8 ) \n93100 FORMAT( 1X, 'C= ', I3, 2X, 'O2 ', 2X, 1PE20.8 ) \n93120 FORMAT( 1X, 'C= ', I3, 2X, 'N2 ', 2X, 1PE20.8 ) \n93140 FORMAT( 1X, 'C= ', I3, 2X, 'H2O ', 2X, 1PE20.8 ) \n93160 FORMAT( /1X, 'dc/dt for irun=', I4, ' nstep=', I4,\n & ' nsubfun=', I4, ' delt=0.0' )\n93180 FORMAT( 1X, 'dcdt= ', I3, 1X, A10, 4X, 1X, 1PE20.8 )\n93200 FORMAT( 1X, I3, I5, 5I4, I5, F11.6, 1X, 1PE11.4, 1X, 0PF10.3 )\n93220 FORMAT( /1X, '****Start or restart step =', I4, ' for irun=', I3,\n & ' block=', I3 )\n93240 FORMAT( 5X, 'Data for irun', I5, ' block', I3, ' cell', I7,\n & ' (',I3, ',', I3, ',', I2, ')' ) \n93260 FORMAT( 5X, 'xelaps = ', 1PE15.8, ' old delt = ', 1PE15.8/\n & 10X, 'new delt = ', 1PE15.8, ' timremain = ', 1PE15.8/\n & 10X, 'rdelt=', 1PE15.8, ' nqq = ', I4,\n & ' kstep = ', I4, ' idoub = ', I4, ' jeval=', I3 )\n93280 FORMAT( /1X, 'Conc and derivs at beginning of step' )\n93300 FORMAT( 1X, 'Conc', I4, 1X, A16, 4X, 1X, 4( 1PE15.8 ) )\n93320 FORMAT( /1X, 'Predicted Conc for irun=', I4, ' nstep=', I4,\n & ' delt=', 1PE15.8 )\n93340 FORMAT( 1X, 'C(p)=', I3, 1X, A16, 4X, 1X, 4( 1PE15.8 ) )\n93360 FORMAT( /1X )\n93380 FORMAT( 5X, 'Pderiv called for irun=', I4, ' nstep=', I4,\n & ' npderiv=', I4, ' hratio=', 1PE12.4 )\n93400 FORMAT( /1X, 'Jacobian for irun=', I4,' nstep=', I4,\n & ' npdout=', I4, ' l3=', I2, ' delt=', 1PE15.8 )\n93420 FORMAT( 1x, 'jac ', 3I4, 1X, A16, 4X, 1x, A16, 4X, 1X, 1PE20.8 )\n93440 FORMAT( 5X, 'Subfun was called for irun=', I3, ' nstep=', I3,\n & ' nsubfun=', I3,' iter=', I3 )\n93460 FORMAT( /1X, 'Concs at start of iter=',I3,\n & ' irun=', I4, ' nstep=', I4, ' delt=', 1PE15.8 )\n93480 FORMAT( 1X, 'Cm(', I1, ') =', I3, 1X, A10, 4X, 1X, 4( 1PE15.8 ) )\n93500 FORMAT( /1X, 'dc/dt for irun=', I4, ' nstep=' , I4, ' nsubfun=',\n & I4 )\n93520 FORMAT( 1X, 'dcdt= ', I3, 1X, A10, 4X, 1X, 1PE20.8 )\n93540 FORMAT( /1X, 'Error for irun=', I4, ' nstep=', I4, ' iter=', I4,\n & ' delt=',1PE15.8 )\n93560 FORMAT( 1X, 'Cerr=', I3, 1X, A10, 4X, 1X, 1PE20.8 )\n93580 FORMAT( /1X, 'Correction for irun=', I4,' nstep=', I4,' iter=',\n & I4, ' delt=', 1PE15.8 )\n93600 FORMAT( 1X, 'Coor=', I3, 1X, A10, 4X, 1X, 1PE20.8 )\n93620 FORMAT( 5X, 'No convergence for irun=', I4, ' step=', I3,\n & ' iter=', I1,' delt=', 1PE15.8 / 10x, 'dcon=',\n & 1PE15.8, ' rmsrat=', 1PE15.8 )\n93640 FORMAT( 5X, 'Corrector failed to converge for irun=', I4,\n & ' nsteps=', I4,' after ', I4,' tries , numneg=', I6 )\n93660 FORMAT( 5X, 'Time step being reduced for irun=', I4, ' step=',\n & I4, ' rdelt=', 1PE15.8 ) \n93680 FORMAT( 5X, 'Convergence achieved for irun=', I4, ' nsteps=', I4,\n & ' after ', I4,' tries , delt=', 1PE15.8 )\n93700 FORMAT( /1X, ' Conc after successful convergence' )\n93720 FORMAT( 1X, 'C(e)=', I3, 1X, A10, 4X, 1X, 4( 1PE15.8 ) )\n93740 FORMAT( 5X, 'Error test failed for irun=', I4,' nsteps=', I4,\n & ' delt=', 1PE15.8 / 10x,' d=', E15.8, 1X, ' e=',\n & E15.8 )\n93760 FORMAT( 5X, 'Error test passed for step=', I4,\n & ' of irun=',I4/10x,'delt=', 1PE20.8,\n & ' xelaps=', 1PE20.8 / 10X, 'nqq=', I3,\n & ' kstep=', I3, ' idoub=', I3 )\n93780 FORMAT( /1X, 'C and Cprimes after ', I4,\n & ' steps of irun=',I4 )\n93800 FORMAT( 1X, 'C(n)=', I4, 1X, A10, 4X, 1X, 4( 1PE15.8 ) )\n93820 FORMAT( 5X, 'rdelt=', 1PE15.8, ' idoub=', I3, ' at irun=', I4,\n & ' nstep=', I4 )\n93840 FORMAT( 1X, '****** End of step ', I4, ' **********' )\n93860 FORMAT( 5X, 'rdelt @ nq=', E15.8, ' rdelt @ nq+1=', E15.8,\n & ' rdelt @ nq-1=', E15.8 )\n93900 FORMAT( 'SMVGEAR: NCELL, RMSTOP, CCOL, CROW, NLEV =', I8, E15.8, 3I8 )\n94000 FORMAT( 'SMVGEAR: delt too small =', 1PE8.2,' time, ',\n & 'timremain, ylowa, eps = ',4( 1PE9.3, 1X ) )\n94010 FORMAT( 'NSTEPS, BLKID, IRUN, NQQ:', 4I8 )\n94015 FORMAT( 'RDELT, DER2MAX, ENQQ: ', 3E15.8 )\n94020 FORMAT( 'SMVGEAR: YLOWA reduced too many times. check original',\n & ' YLOWR' )\n94040 FORMAT( 'delt dec to =', E13.5, '; time ', E13.5, ' because ',\n & 'excessive errors' ) \n END\n" }, { "path": "CCTM/src/gas/smvgear/grsprse.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/CCTM/src/gas/smvgear/grsprse.F,v 1.3 2011/10/21 16:11:14 yoj Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC @(#)grsprse.F 1.1 /project/mod3/CMAQ/src/chem/smvgear/SCCS/s.grsprse.F 07 Jul 1997 12:45:30\n\n SUBROUTINE JSPARSE\n \nC*********************************************************************** \nC\nC FUNCTION: To define array pointers for sparse matrix storage by\nC doing symbolic LU decomposition\nC\nC PRECONDITIONS: None\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Prototype created by Jerry Gipson, June, 1995. \nC Based on the code originally developed by \nC M. Jacobson, (Atm. Env., Vol 28, No 2, 1994).\nC Revised 3/24/96 By Jerry Gipson to conform to \nC the Models-3 minimum IOV configuration\nC Revised December 1996 by Jerry Gipson to conform\nC to the Models-3 interim CTM that includes emissions\nC in chemistry.\nC Revised April 1997 to distinguish NSPCS from NSPCSD\nC Revised April 1997 to conform to Models-3 framework\nC Modified June, 1997 by Jerry Gipson to be consistent\nC with beta CTM\nC Modified September, 1997 by Jerry Gipson to be \nC consistent with the targeted CTM\nC 16 Aug 01 J.Young: Use HGRD_DEFN\nC 28 Jun 10 J.Young: convert for Namelist redesign\nC 30 Jun 10 J.Young: convert for Namelist redesign; move all\nC local include file variables into GRVARS module\nC 29 Mar 11 S.Roselle: Replaced I/O API include files \nC with UTILIO_DEFN\nC 15 Jul 14 B.Hutzell: replaced mechanism include files with \nC RXNS_DATA module and supplement error message when array\nC bounds exceed maximum values\nC***********************************************************************\n\n USE RXNS_DATA\n USE CGRID_SPCS ! CGRID mechanism species\n USE UTILIO_DEFN\n USE GRVARS ! inherits GRID_CONF\n\n IMPLICIT NONE\n \nC..INCLUDES: None\n \nC..ARGUMENTS: None\n\nC..PARAMETERS: None\n\nC..EXTERNAL FUNCTIONS: None\n\nC..SAVED LOCAL VARIABLES: \n LOGICAL, SAVE :: INITIALIZED = .FALSE. ! Flag for first call to this subroutine\n\n INTEGER, SAVE :: IFNEVER = 0 ! Flag for counter initialization\n INTEGER, SAVE :: NDLMAX = 0 ! Max # of PD loss terms in any reaction\n INTEGER, SAVE :: NDPMAX = 0 ! Max # of PD prod terms in any reaction\n\nC..SCRATCH LOCAL VARIABLES:\n CHARACTER( 16 ) :: PNAME = 'GRSPRSE' ! Program name\n CHARACTER( 80 ) :: MSG ! Mesaage text for output to log\n\n INTEGER EXITSTAT ! Exit status code\n INTEGER I,J,K,I1,J1,I2 ! Matrix loop indices\n INTEGER IA, IB ! I,J index holders for decomp loop 2\n INTEGER INEW, JNEW ! Index for sorted species number\n INTEGER IOLD, JOLD ! Index for old species number\n INTEGER IPA, KPA ! I,K index holders for decomp loop 1\n INTEGER IPB, KPB ! I,K index holders for decomp loop 1\n INTEGER IPROD, JP ! Species number of a product\n INTEGER IREACT, IR, JR ! Species number of a reactant\n INTEGER ISP, ISP2, JSP ! Species loop indices\n INTEGER JRE, JPR, IRE ! Indices for nonzero Jacobian entries \n INTEGER JZ3, JZ4 ! Counter for calcs in backsub groupings\n INTEGER NP, IAP ! Product loop indices\n INTEGER NR, IAL, JAL ! Reactant loop indices\n INTEGER IAR ! Pointer to location of PD term\n INTEGER IARRAY2 ! Final # of matrix entries w/ Sp. Mat\n INTEGER ICB ! Counter for # of terms in decomp loop 1\n INTEGER ICBSUM ! Running count of calcs for j index \n ! in decomp loop 1\n INTEGER ICCOUNT ! Two term op count for decomp loop 1\n INTEGER ICNT ! Total op counter for decomp loop 1\n INTEGER ICNTA ! op. counter for decomp loop 1 w/ Sp Mat \n INTEGER ICNTB ! op. counter for decomp loop 1 w/ Sp Mat\n INTEGER IFSUN ! Day/night loop index\n INTEGER IJSTEP ! Number of terms to calc in decomp loops\n INTEGER IMINNEW ! Index holder for sort routine\n INTEGER IMINOLD ! Index holder for sort routine\n INTEGER IPORR ! Species number of a product or reactant \n INTEGER, SAVE :: IZERO = 0 ! Integer zero\n INTEGER JCB ! Counter for # of terms in decomp loop 2\n INTEGER JCCOUNT ! Two term op count for decomp loop 2\n INTEGER JCNT ! Total op counter for decomp loop 2 \n INTEGER JCNTA ! op. counter for decomp loop 2 w/o Sp Mat\n INTEGER JCNTB ! op. counter for decomp loop 2 w/ Sp Mat\n INTEGER JZ ! Loop index for backsub loops\n INTEGER KA ! Loop index for decomposition loops\n INTEGER KCNT ! op. counter for bksub loop 1 w/ Sp. Mat.\n INTEGER KCNTA ! op. counter for bksub loop 1 w/o Sp Mat\n INTEGER KNTARRAY ! Final # of matrix entries w/o Sp. Mat\n INTEGER KOUNT0 ! Initial # of matrix entries w/ Sp. Mat\n INTEGER KOUNT0A ! Initial # of matrix entries w/o Sp. Mat\n INTEGER KZ ! # of nonzero calcs in backsub loop 1\n INTEGER NCS12 ! Mechanism number NCS+1=day NCS+2=night\n INTEGER NK ! Reaction number\n INTEGER NLS ! Number of loss PD terms\n INTEGER NOCHANG ! Count of number of species not reacting\n INTEGER NPR ! Number of prod PD terms\n INTEGER NQQ ! Loop index for Gear order \n INTEGER NRPP ! Reactant plus product loop index\n INTEGER NRX ! Reaction loop index\n INTEGER NU ! Active reaction count holder\n INTEGER MCNT ! op. counter for bksub loop 2 w/ Sp. Mat.\n INTEGER MCNTA ! op. counter for bksub loop 2 w/o Sp. Mat.\n INTEGER MINVALU ! Current number of PD terms in sort\n INTEGER MZ ! # of nonzero calcs in backsub loop 2\n!KSPARSE\n\n INTEGER, ALLOCATABLE :: ICLO( : ) ! Pointer to # of ops in decomp loop 1\n INTEGER, ALLOCATABLE :: JCLO( : ) ! Pointer to # of ops in decomp loop 2\n INTEGER, ALLOCATABLE :: IZEROI( : ) ! Pointer to decomp loop 1 i index\n INTEGER, ALLOCATABLE :: IZEROK( : ) ! Pointer to decomp loop 1 k index\n INTEGER, ALLOCATABLE :: JZERO ( : ) ! Pointer to decomp loop 2 i index\n INTEGER, ALLOCATABLE :: IZILCH ( :,: ) ! # of nonzero calcs in decomp loop 1\n INTEGER, ALLOCATABLE :: JZILCH ( :,: ) ! # of nonzero calcs in decomp loop 2\n INTEGER, ALLOCATABLE :: LZERO ( :,: ) ! Symbolic Jacobian matrix\n \n!JSPARSE\n \n INTEGER, ALLOCATABLE :: ISAPORL( : ) ! Count of PD terms for each species\n INTEGER, ALLOCATABLE :: ISPARDER( :,: ) ! Indicator of a PD term in the \n\n INTEGER IOS ! Allocate status\n\nC-----------------------------------------------------------------------\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Initialize some variables on first call\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( INITIALIZED )THEN\n RETURN\n ELSE\n INITIALIZED = .TRUE.\n END IF \n\n \n\n ALLOCATE( ISAPORL ( NUMB_MECH_SPC ),\n & ISPARDER( NUMB_MECH_SPC,NUMB_MECH_SPC ), \n & STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = '*** Memory allocation failed'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Initialize Prod/loss and PD tabulator arrays\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n NCS12 = NCS\n\n ISAPORL = 0\n ISPARDER = 0\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Set the number of Partial derivative terms in the Jacobian and\nc count the number of terms for each species\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n DO NRX = 1, NRXNS\n DO NR = 1, 3\n IREACT = IRR( NRX, NR )\n IF( IREACT .NE. 0 ) THEN\n DO NRPP = 1, 3 + MXPRD\n IPORR = IRR( NRX, NRPP )\n IF( IPORR .NE. 0 ) ISPARDER( IPORR, IREACT ) = 1\n ENDDO\n ENDIF\n ENDDO\n ENDDO\n\n DO IREACT = 1, NUMB_MECH_SPC\n DO IPORR = 1, NUMB_MECH_SPC\n IF( ISPARDER( IPORR, IREACT ) .EQ. 1 ) \n & ISAPORL( IPORR ) = ISAPORL( IPORR ) + 1\n ENDDO\n ENDDO\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Sort the species, putting all with zero partial derivative \nc terms at the bottom and those with fewest PD terms at top.\nc Set arrays for species with zero PD terms\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n ISCHANG = 0\n NOCHANG = NUMB_MECH_SPC\n DO JOLD = 1, NUMB_MECH_SPC\n IF( ISAPORL( JOLD ) .GT. 0 ) THEN\n ISCHANG( NCS ) = ISCHANG( NCS ) + 1\n JNEW = ISCHANG( NCS )\n INEW2OLD( JNEW, NCS ) = JOLD\n IOLD2NEW( JOLD, NCS ) = JNEW\n ELSE\n INEW2OLD( NOCHANG, NCS ) = JOLD\n IOLD2NEW( JOLD, NCS ) = NOCHANG\n NOCHANG = NOCHANG - 1\n ENDIF\n ENDDO\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Now sort by number of PD terms, fewest at position 1, most at\nc the end position. \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n DO JNEW = 1, ISCHANG( NCS )\nc uncomment the following three lines to turn off ordering\n! INEW2OLD( JNEW, NCS ) = JNEW\n! IOLD2NEW( JNEW, NCS ) = JNEW\n! IF( JNEW .NE. 0 ) GO TO 180\nc uncomment the above three lines to turn off ordering\n JOLD = INEW2OLD( JNEW, NCS )\n MINVALU = ISAPORL( JOLD )\n IMINOLD = JOLD\n IMINNEW = JNEW\n\n DO INEW = JNEW + 1, ISCHANG( NCS )\n IOLD = INEW2OLD( INEW, NCS )\n IF( ISAPORL( IOLD ) .LT. MINVALU ) THEN\n MINVALU = ISAPORL( IOLD )\n IMINOLD = IOLD\n IMINNEW = INEW\n ENDIF\n ENDDO\n\n INEW2OLD( IMINNEW, NCS ) = JOLD\n INEW2OLD( JNEW, NCS ) = IMINOLD\n IOLD2NEW( JOLD, NCS ) = IMINNEW\n IOLD2NEW( IMINOLD, NCS ) = JNEW\n ENDDO\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Fill the irm2 array using the new species order developed above.\nc Also determine active reactions for day and then night (i.e., photo\nc reactions determined by BTEST=.TRUE. are not included for nighttime)\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n NUSERAT = 0\n DO NRX = 1, NRXNS\n DO NR = 1, NREACT( NRX )\n IREACT = IRR( NRX, NR )\n IRM2( NR, NRX, NCS ) = IOLD2NEW( IREACT,NCS ) \n ENDDO\n\n DO NP = 1, NPRDCT( NRX )\n IPROD = IRR( NRX, NP + 3 )\n IRM2( NP+3, NRX, NCS ) = IOLD2NEW( IPROD, NCS )\n ENDDO\n \n IF( NREACT( NRX ) .GT. 0 ) THEN\n NUSERAT( NCS ) = NUSERAT( NCS ) + 1\n NU = NUSERAT( NCS )\n NKUSERAT( NU, NCS ) = NRX\n IF( .NOT. ( BTEST ( IRXBITS( NRX ),1 ) ) ) THEN\n NUSERAT( NCS + 1 ) = NUSERAT( NCS + 1 ) + 1\n NU = NUSERAT( NCS + 1 )\n NKUSERAT( NU, NCS + 1 ) = NRX\n ENDIF\n ENDIF\n ENDDO\n\n DEALLOCATE( ISAPORL, ISPARDER ) \n\n ALLOCATE( ICLO( NCS2 ),\n & JCLO( NCS2 ),\n & IZEROI( MXCOUNT1 ),\n & IZEROK( MXCOUNT2 ),\n & JZERO ( MXCOUNT1 ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = '*** Memory allocation failed'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n ALLOCATE( LZERO ( NUMB_MECH_SPC,NUMB_MECH_SPC ),\n & IZILCH ( NUMB_MECH_SPC,NCS2 ),\n & JZILCH ( NUMB_MECH_SPC,NCS2 ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = '*** Memory allocation failed'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n \n IZILCH = 0\n JZILCH = 0\n JHIZ1 = 0\n JHIZ2 = 0\n KZILCH = 0\n MZILCH = 0\n\n NDERIVL = 0\n NDERIVP = 0\n \n \n JARRAYPT = 0\n\n IJDECA = 0\n IKDECA = 0\n KJDECA = 0\n\n IJDECB = 0\n IKDECB = 0\n KJDECB = 0\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Do symbolic LU decomposition to determine sparse storage array\nc structures. Done twice, first for day and then for night. An entry\nc of 1 in lzero means a non-negative entry in the Jacobian. First\nc put ones on the diagonal and zeroes everywhere else.\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n DO 700 IFSUN = 1, 2\n NCS12 = IFSUN\n DO I = 1, NUMB_MECH_SPC\n DO J = 1, NUMB_MECH_SPC\n LZERO( J, I ) = 0\n ENDDO\n LZERO( I, I ) = 1\n ENDDO\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Fill in the rest of the entries in the Jacobian\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n DO NRX = 1, NUSERAT( NCS12 )\n NK = NKUSERAT( NRX, NCS12 )\n DO NR = 1, NREACT( NK )\n IRE = IRM2( NR, NK, NCS )\n DO JAL = 1, NREACT( NK )\n JRE = IRM2( JAL, NK, NCS )\n LZERO( JRE, IRE ) = 1\n ENDDO\n DO IAP = 1, NPRDCT( NK )\n JPR = IRM2( 3+IAP, NK, NCS )\n LZERO( JPR, IRE ) = 1 \n ENDDO\n ENDDO\n ENDDO\n \nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Set up arrays for decomposition / back-substitution of sparse \nc matrices by removing all calculations involving a zero. \nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( IFNEVER.EQ.0 ) THEN\n IFNEVER = 1\n ICNT = 0 \n JCNT = 0 \n ICCOUNT = 0\n JCCOUNT = 0\n ENDIF\n KOUNT0A = 0\n KOUNT0 = 0\n ICNTA = 0\n ICNTB = 0\n JCNTA = 0\n JCNTB = 0\n KCNTA = 0\n MCNTA = 0\n KCNT = 0\n MCNT = 0\n IARRAY2 = 0\n \nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Count number of entries w/ and w/o sparse matrix storage\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc \n DO J = 1, ISCHANG( NCS )\n DO K = 1, ISCHANG( NCS )\n KOUNT0A = KOUNT0A + 1\n IF( LZERO( J, K ) .EQ. 1 ) KOUNT0 = KOUNT0 + 1\n ENDDO\n ENDDO\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Do the symbolic decomposition (ludcmp) converting [A] to [L][U] \nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n ICLO( NCS12 ) = ICNT + 1\n JCLO( NCS12 ) = JCNT + 1\n DO J = 1, ISCHANG( NCS )\n J1 = J - 1\n \nc... First loop of decomposition\n DO I = 2, ISCHANG( NCS ) \n I1 = J1 \n IF( I .LE. J1 ) I1 = I - 1\n DO K = 1, I1\n ICNTA = ICNTA + 1\n IF( LZERO( I, K ) .EQ. 1 .AND. LZERO( K, J ) .EQ. 1 )\n & THEN\n IZILCH( J, NCS12 ) = IZILCH( J, NCS12 ) + 1\n ICNT = ICNT + 1\n ICNTB = ICNTB + 1\n IZEROK( ICNT ) = K \n IZEROI( ICNT ) = I\n LZERO( I, J ) = 1 \n ENDIF\n ENDDO\n ENDDO\nc... Second loop of decomposition \n DO I = J + 1, ISCHANG( NCS ) \n JCNTA = JCNTA + 1\n IF( LZERO( I, J ) .EQ. 1 ) THEN\n JZILCH( J, NCS12 ) = JZILCH( J, NCS12 ) + 1\n JCNT = JCNT + 1\n JCNTB = JCNTB + 1\n JZERO( JCNT ) = I \n ENDIF\n ENDDO \n ENDDO\n \nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Do symbolic back-substition for solving [L][U]{x}={b}. Store data\nc in sparse matrix pointer jarraypt.\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc... First loop of back-substitution\n DO I = 2, ISCHANG( NCS )\n I1 = I - 1\n DO J = 1, I1 \n KCNTA = KCNTA + 1\n IF( LZERO( I, J ) .EQ. 1 ) THEN \n KZILCH( I, NCS12 ) = KZILCH( I, NCS12 ) + 1\n KCNT = KCNT + 1\n IARRAY2 = IARRAY2 + 1\n KZERO( IARRAY2, NCS12 ) = J\n JARRAYPT( I, J, NCS12 ) = IARRAY2 \n ENDIF\n ENDDO\n ENDDO \n\nc... Second loop of back-substitution \n DO I = ISCHANG( NCS ) - 1, 1, -1\n I2 = I + 1\n DO J = I + 1, ISCHANG( NCS )\n MCNTA = MCNTA + 1\n IF( LZERO( I, J ) .EQ. 1 ) THEN \n MZILCH( I, NCS12 ) = MZILCH( I, NCS12 ) + 1\n MCNT = MCNT + 1\n IARRAY2 = IARRAY2 + 1\n KZERO( IARRAY2, NCS12 ) = J\n JARRAYPT( I, J, NCS12 ) = IARRAY2 \n ENDIF\n ENDDO\n ENDDO\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Fill jarraypt with remaining diagonal array points and save counts\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n DO I = 1, ISCHANG( NCS ) \n IARRAY2 = IARRAY2 + 1\n JARRAYPT( I, I, NCS12 ) = IARRAY2 \n ENDDO\n IARRAY( NCS12 ) = IARRAY2 \n KNTARRAY = KCNTA + MCNTA + ISCHANG( NCS )\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Do decomposition again to change arrays to use jarraypt\nCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC\n JCB = JCLO( NCS12 ) \n JZLO( NCS12 ) = JCCOUNT\n ICBSUM = ICLO( NCS12 ) - 1 \n IJSTEP = 2 \n DO J = 1, ISCHANG( NCS )\n\nc...First loop of decomposition\n IDEC1LO( J, NCS12 ) = ICCOUNT + 1\n ICB = ICBSUM + 1\n ICBSUM = ICBSUM + IZILCH( J, NCS12 ) \n\n DO KA = 1, IZILCH( J, NCS12 ), IJSTEP\n ICCOUNT = ICCOUNT + 1\n IPA = IZEROI( ICB ) \n KPA = IZEROK( ICB ) \n IJDECA( ICCOUNT ) = JARRAYPT( IPA, J, NCS12 ) \n IKDECA( ICCOUNT ) = JARRAYPT( IPA, KPA, NCS12 )\n KJDECA( ICCOUNT ) = JARRAYPT( KPA, J, NCS12 )\n IF( ICB + 1 .LE. ICBSUM ) THEN\n IPB = IZEROI( ICB + 1 ) \n KPB = IZEROK( ICB + 1 ) \n IJDECB( ICCOUNT ) = JARRAYPT( IPB, J, NCS12 ) \n IKDECB( ICCOUNT ) = JARRAYPT( IPB, KPB, NCS12 )\n KJDECB( ICCOUNT ) = JARRAYPT( KPB, J, NCS12 )\n ENDIF\n ICB = ICB + IJSTEP \n ENDDO\n\n IDEC1HI( J, NCS12 ) = ICCOUNT \n \nc...Second loop of decomposition\n JZ = JZILCH( J, NCS12 )\n\n DO I = 1, JZ - 1, 2\n JCCOUNT = JCCOUNT + 1\n JHIZ1( J, NCS12 ) = JHIZ1( J, NCS12 ) + 1\n IA = JZERO( JCB )\n IB = JZERO( JCB + 1 )\n JZEROA( JCCOUNT ) = JARRAYPT( IA, J, NCS12 )\n JZEROB( JCCOUNT ) = JARRAYPT( IB, J, NCS12 )\n JCB = JCB + 2\n ENDDO\n\n IF( MOD( JZ, 2 ) .EQ. 1 ) THEN \n JCCOUNT = JCCOUNT + 1\n JHIZ2( J, NCS12 ) = JHIZ2( J, NCS12 ) + 1\n IA = JZERO( JCB )\n JZEROA( JCCOUNT ) = JARRAYPT( IA, J, NCS12 )\n JCB = JCB + 1 \n ENDIF\n ENDDO\n \nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Group terms to increase efficiency in back-substition\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc... First back-substitution loop\n DO I = 1, ISCHANG( NCS ) \n KZ = KZILCH( I, NCS12 )\n KZHI0( I, NCS12 ) = KZ - 4 \n JZ3 = 0\n\n DO JZ = 1, KZHI0( I, NCS12 ), 5 \n JZ3 = JZ + 4\n ENDDO \n\n KZLO1( I, NCS12 ) = JZ3 + 1\n KZHI1( I, NCS12 ) = KZ - 1 \n JZ4 = JZ3 \n\n DO JZ = JZ3 + 1, KZ - 1, 2 \n JZ4 = JZ + 1\n ENDDO\n\n KZLO2( I, NCS12 ) = JZ4 + 1\n ENDDO\n \nc... Second loop of back-substitution\n DO I = ISCHANG( NCS ), 1, -1\n MZ = MZILCH( I, NCS12 ) \n MZHI0( I, NCS12 ) = MZ - 4 \n JZ3 = 0 \n\n DO JZ = 1, MZHI0( I, NCS12 ), 5 \n JZ3 = JZ + 4 \n ENDDO\n\n MZLO1( I, NCS12 ) = JZ3 + 1\n MZHI1( I, NCS12 ) = MZ - 1\n JZ4 = JZ3 \n\n DO JZ = JZ3+1, MZ-1, 2 \n JZ4 = JZ + 1 \n ENDDO\n\n MZLO2( I, NCS12 ) = JZ4 + 1\n ENDDO\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Check dimensions and print out array savings if ldebug on \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF( ICNT.GT.MXCOUNT2 .OR. JCNT .GT. MXCOUNT1 .OR. \n & IARRAY2 .GT. MXARRAY .OR. ICCOUNT .GT. MXCOUNT2 .OR.\n & JCCOUNT .GT. MXARRAY ) THEN\n WRITE( MSG, 94000 ) \n CALL M3MESG( MSG )\n WRITE( MSG, 94020 ) MXCOUNT2, ICNT \n CALL M3MESG( MSG )\n WRITE( MSG, 94040 ) MXCOUNT1, JCNT \n CALL M3MESG( MSG )\n WRITE( MSG, 94060 ) MXARRAY, IARRAY2 \n CALL M3MESG( MSG )\n WRITE( MSG, 94080 ) MXCOUNT2, ICCOUNT \n CALL M3MESG( MSG )\n WRITE( MSG, 94100 ) MXARRAY, JCCOUNT, MAXGL3 \n CALL M3MESG( MSG )\n WRITE( MSG,94110 )\n CALL M3MESG( MSG )\n EXITSTAT = 2\n CALL M3EXIT( PNAME, IZERO, IZERO, ' ', EXITSTAT )\n ENDIF \n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Set final arrays for partial derivative calculations\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n DO NRX = 1, NUSERAT( NCS12 )\n NK = NKUSERAT( NRX, NCS12 )\n DO IAL = 1, NREACT( NK )\n IR = IRM2( IAL, NK, NCS )\n\n DO JAL = 1, NREACT( NK )\n JR = IRM2( JAL, NK, NCS )\n IAR = JARRAYPT( JR, IR, NCS12 )\n NDERIVL( NK, NCS12 ) = NDERIVL( NK, NCS12 ) + 1\n NLS = NDERIVL( NK, NCS12 )\n JARRL( NLS, NK, NCS12 ) = IAR\n JLIAL( NLS, NK, NCS12 ) = IAL\n NDLMAX = MAX( NLS, NDLMAX )\n ENDDO\n \n DO IAP = 1, NPRDCT( NK )\n JP = IRM2( IAP + 3, NK, NCS )\n IAR = JARRAYPT( JP, IR, NCS12 )\n NDERIVP( NK, NCS12 ) = NDERIVP( NK, NCS12 ) + 1\n NPR = NDERIVP( NK, NCS12 )\n JARRP( NPR, NK, NCS12 ) = IAR\n JPIAL( NPR, NK, NCS12 ) = IAL\n ICOEFF( NPR, NK, NCS12 ) = 0\n IF( ABS( SC( NK, IAP ) - 1.0D0 ) .GT. 1.0D-06 ) THEN\n ICOEFF( NPR, NK, NCS12 ) = IAP\n ENDIF\n NDPMAX = MAX( NPR, NDPMAX )\n ENDDO\n ENDDO \n ENDDO\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Check dimensions of PD arrays\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF( NDPMAX .GT. MXRP .OR. NDLMAX .GT. MXRR ) THEN\n WRITE( MSG, 94000 ) \n CALL M3MESG( MSG )\n WRITE( MSG, 94200 ) MXRP, NDPMAX \n CALL M3MESG( MSG )\n WRITE( MSG, 94220 ) MXRR, NDLMAX \n CALL M3MESG( MSG )\n EXITSTAT = 2\n CALL M3EXIT( PNAME, IZERO, IZERO, ' ', EXITSTAT ) \n ENDIF\n700 CONTINUE\n\n\n DEALLOCATE( ICLO,\n & JCLO,\n & IZEROI,\n & IZEROK,\n & JZERO,\n & LZERO, \n & IZILCH, \n & JZILCH ) \n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Set some parameters for the Gear integration method \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n MSTEP = 3\n MAXORD = 5\n MBETWEEN = 50\n\n DO NQQ = 1, 7\n ENQQ1( NQQ ) = 0.5E+00 / FLOAT( NQQ )\n ENQQ2( NQQ ) = 0.5E+00 / FLOAT( NQQ + 1 ) \n ENQQ3( NQQ ) = 0.5E+00 / FLOAT( NQQ + 2 )\n CONPST( NQQ ) = 1.0E+00 / ( PERTST( NQQ, 1 )\n & * ENQQ3( NQQ ) ) \n CONP15( NQQ ) = 1.5E+00 * CONPST( NQQ )\n PERTST( NQQ, 1 ) = PERTST( NQQ, 1 ) * PERTST( NQQ, 1 )\n PERTST( NQQ, 2 ) = PERTST( NQQ, 2 ) * PERTST( NQQ, 2 )\n PERTST( NQQ, 3 ) = PERTST( NQQ, 3 ) * PERTST( NQQ, 3 )\n ENDDO\n\n DO I2 = 1, 6 \n ASET( I2, 2 ) = 1.0D+00\n ASET( I2, 8 ) = 0.0D0\n ENDDO\n ASET( 1, 1 ) = 1.0D0\n ASET( 2, 1 ) = 2.0D0 / 3.0D0\n ASET( 2, 3 ) = 1.0D0 / 3.0D0\n ASET( 3, 1 ) = 6.0D0 / 11.0D0\n ASET( 3, 3 ) = 6.0D0 / 11.0D0\n ASET( 3, 4 ) = 1.0D0 / 11.0D0\n ASET( 4, 1 ) = 12.0D0 / 25.0D0\n ASET( 4, 3 ) = 0.70D0\n ASET( 4, 4 ) = 0.20D0\n ASET( 4, 5 ) = 0.02D0\n ASET( 5, 1 ) = 60.0D0 / 137.0D0\n ASET( 5, 3 ) = 225.0D0 / 274.0D0\n ASET( 5, 4 ) = 85.0D0 / 274.0D0\n ASET( 5, 5 ) = 15.0D0 / 274.0D0\n ASET( 5, 6 ) = 1.0D0 / 274.0D0\n ASET( 6, 1 ) = 180.0D0 / 441.0D0\n ASET( 6, 3 ) = 406.0D0 / 441.0D0\n ASET( 6, 4 ) = 735.0D0 / 1764.0D0\n ASET( 6, 5 ) = 175.0D0 / 1764.0D0\n ASET( 6, 6 ) = 21.0D0 / 1764.0D0\n ASET( 6, 7 ) = 1.0D0 / 1764.0D0\n RETURN\n \nC********************** FORMAT STATEMENTS ****************************** \n93000 FORMAT( 1X,/'PARAM POSS MATRIX POINTS -- NONZEROS -- NCS12=',I4/\n & 1X, 'INITMAT ',4X,I8,9X,I8/ \n & 1X, 'FINMAT ',4X,I8,9X,I8/ \n & 1X, 'DECOMP1 ',4X,I8,9X,I8/ \n & 1X, 'DECOMP2 ',4X,I8,9X,I8/ \n & 1X, 'BACKSB1 ',4X,I8,9X,I8/ \n & 1X, 'BACKSB2 ',4X,I8,9X,I8/) \n94000 FORMAT( 1X,'One of the dimensions below is too small:')\n94020 FORMAT( 1X,'DIMENSION: MXCOUNT2 = ',I6,' VARIABLE: ICNT = ',I6) \n94040 FORMAT( 1X,'DIMENSION: MXCOUNT1 = ',I6,' VARIABLE: JCNT = ',I6) \n94060 FORMAT( 1X,'DIMENSION: MXARRAY = ',I6,' VARIABLE: IARRAY2 = ',I6) \n94080 FORMAT( 1X,'DIMENSION: MXCOUNT2 = ',I6,' VARIABLE: ICCOUNT = ',I6) \n94100 FORMAT( 1X,'DIMENSION: MXARRAY = ',I6,' VARIABLE: JCCOUNT = ',I6,' MAXGL3 = ',I6 )\n94110 FORMAT( 1X,'NOTE: MXCOUNT[1,2] = NUMB_MECH_SPC * MAXGL3 * 3' )\n94200 FORMAT( 1X,'DIMENSION: MXRP = ',I6,' VARIABLE: NDPMAX = ',I6)\n94220 FORMAT( 1X,'DIMENSION: MXRR = ',I6,' VARIABLE: NDLMAX = ',I6)\n END\n" }, { "path": "CCTM/src/gas/smvgear/grsubfun.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/CCTM/src/gas/smvgear/grsubfun.F,v 1.2 2011/10/21 16:11:15 yoj Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC @(#)grsubfun.F 1.1 /project/mod3/CMAQ/src/chem/smvgear/SCCS/s.grsubfun. F 07 Jul 1997 12:45:32\n\n SUBROUTINE SUBFUN\n\nC***********************************************************************\nC\nC FUNCTION: To Compute GLOSS = dc/dt for each species. GLOSS is the\nC net rate of change in species concentrations resulting\nC from chemical production minus chemical loss.\nC\nC PRECONDITIONS: None\nC \nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Prototype created by Jerry Gipson, June, 1995.\nC Based on the code originally developed by \nC M. Jacobson, (Atm. Env., Vol 28, No 2, 1994).\nC Revised 3/14/96 by Jerry Gipson to conform to\nC the Models-3 minimum IOV configuration\nC Revised December 1996 by Jerry Gipson to conform\nC to the Models-3 interim CTM that includes emissions\nC in chemistry.\nC Modified June, 1997 by Jerry Gipson to be consistent\nC with beta CTM\nC Modified September, 1997 by Jerry Gipson to be \nC consistent with the targeted CTM\nC 16 Aug 01 J.Young: Use HGRD_DEFN\nC 31 Jan 05 J.Young: get BLKSIZE from dyn alloc horizontal\nC & vertical domain specifications module (GRID_CONF)\nC 28 Jun 10 J.Young: remove unnecessary modules and includes\nC 30 Jun 10 J.Young: convert for Namelist redesign; move all\nC local include file variables into GRVARS module\nC 15 Jul 14 B.Hutzell: replaced mechanism include files with \nC RXNS_DATA module and replace call to CALC_SPECIAL with \nC SPECIAL_RATES in RXNS_FUNCTION module\nC***********************************************************************\n\n USE RXNS_DATA\n USE RXNS_FUNCTION\n USE GRVARS ! inherits GRID_CONF\n\n IMPLICIT NONE\n\nC..INCLUDES: None\n \nC..ARGUMENTS: None\n\nC..PARAMETERS: None\n\nC..EXTERNAL FUNCTIONS: None\n\nC..SAVED LOCAL VARIABLES: None\n\nC..SCRATCH LOCAL VARIABLES:\n INTEGER ISP ! Loop index for species\n INTEGER ISP1, ISP2, ISP3 ! Pointers to species numbers\n INTEGER NCELL ! Loop index for number of cells\n INTEGER NP ! Loop index for number of products\n INTEGER NR ! Loop index for number of reactants\n INTEGER NRK ! Reaction number\n INTEGER NRX ! Loop index for number of reactions\nC*********************************************************************** \n \n IF ( NSPECIAL_RXN .GT. 0 ) THEN ! calculate special rate coefficients\n CALL SPECIAL_RATES( NUMCELLS, CNEW, BLKTEMP, BLKDENS, RK )\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Increment call counter and initialize dcdt=gloss\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n NSUBFUN = NSUBFUN + 1\n DO ISP = 1, ISCHAN\n DO NCELL = 1, NUMCELLS\n GLOSS( NCELL, ISP ) = EMBLK( NCELL, ISP )\n ENDDO\n ENDDO\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc loop over reactions and calculate rate of reaction \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n DO 220 NRX = 1, NUSERAT( NCSP )\n NRK = NKUSERAT( NRX, NCSP )\n IF( NREACT( NRK ) .EQ. 1 ) THEN\n ISP1 = IRM2( 1, NRK, NCS )\n DO NCELL = 1, NUMCELLS\n RXRAT( NCELL, NRK ) = RK( NCELL, NRK )\n & * CNEW( NCELL, ISP1 )\n ENDDO\n ELSEIF( NREACT( NRK ) .EQ. 2 ) THEN\n ISP1 = IRM2( 1, NRK, NCS )\n ISP2 = IRM2( 2, NRK, NCS )\n DO NCELL = 1, NUMCELLS\n RXRAT( NCELL, NRK ) = RK( NCELL, NRK )\n & * CNEW( NCELL, ISP1 )\n & * CNEW( NCELL, ISP2 )\n ENDDO\n ELSEIF( NREACT( NRK ) .EQ. 3 ) THEN\n ISP1 = IRM2( 1, NRK, NCS )\n ISP2 = IRM2( 2, NRK, NCS )\n ISP3 = IRM2( 3, NRK, NCS )\n DO NCELL = 1, NUMCELLS\n RXRAT( NCELL, NRK ) = RK( NCELL, NRK )\n & * CNEW( NCELL, ISP1 )\n & * CNEW( NCELL, ISP2 )\n & * CNEW( NCELL, ISP3 )\n ENDDO \n ELSEIF( NREACT( NRK ) .EQ. 0 ) THEN\n DO NCELL = 1, NUMCELLS\n RXRAT( NCELL, NRK ) = RK( NCELL, NRK )\n ENDDO\n ENDIF\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Subtract loss terms from gloss for this reaction \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n DO NR = 1, NREACT( NRK )\n ISP1 = IRM2( NR, NRK, NCS )\n DO NCELL = 1, NUMCELLS\n GLOSS( NCELL, ISP1 ) = GLOSS( NCELL, ISP1 )\n & - RXRAT( NCELL, NRK )\n ENDDO\n ENDDO\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Add production terms to gloss for this reaction\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n DO NP = 1, NPRDCT( NRK )\n ISP1 = IRM2( NP + 3, NRK, NCS )\n DO NCELL = 1, NUMCELLS\n GLOSS( NCELL, ISP1 ) = GLOSS( NCELL, ISP1 )\n & + REAL( SC( NRK, NP ), 8 ) * RXRAT( NCELL, NRK )\n ENDDO\n ENDDO\n\n220 CONTINUE ! END LOOP OVER REACTIONS\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc If the species concentration is at or below the threshold and it\nc is being destroyed, zero the loss rate.\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n DO ISP = 1, ISCHAN\n DO NCELL = 1, NUMCELLS\n IF( CNEW( NCELL, ISP ) .LE. ZBOUND .AND. \n & GLOSS( NCELL, ISP ) .LT. 0.0D0 ) THEN\n GLOSS( NCELL, ISP ) = 0.0D0\n ENDIF\n ENDDO\n ENDDO\n\n RETURN\n END\n\n" }, { "path": "CCTM/src/grid/cartesian/GRID_CONF.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n MODULE GRID_CONF\n\nC Define the horizontal grid and vertical layer structure by inheriting\nC HGRD_DEFN and VGRD_DEFN. In addition, set up the computational blocking\nC parameters.\nC VGRD_DEFN replaces COORD.EXT and VGRD.EXT\nC Revision History: Jeff Young 31 Jen 05: created\nC.......................................................................\n\n USE HGRD_DEFN ! horizontal domain specifications\n USE VGRD_DEFN ! vertical layer specifications\n USE utilio_defn\n\n IMPLICIT NONE\n\n! INTEGER, PARAMETER :: BLKSIZE = 500\n INTEGER, PARAMETER :: BLKSIZE = 50\n INTEGER, SAVE :: MXCELLS\n INTEGER, SAVE :: MXBLKS\n\n CONTAINS\n\n FUNCTION GRID_INIT ( NPROCS, MYID ) RESULT ( SUCCESS )\n\n INTEGER :: NPROCS\n INTEGER :: MYID\n LOGICAL :: SUCCESS\n\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n CHARACTER( 96 ) :: MSG = ' '\n\nC-----------------------------------------------------------------------\n\nC This function is expected to be called only once - at startup\n\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n SUCCESS = .TRUE.\n\n#ifdef mpas\n MXCELLS = NCOLS * NROWS * NLAYS\n MXBLKS = 1 + ( MXCELLS - 1 ) / BLKSIZE\n#else\nC Set up horizontal domain and calculate processor-to-subdomain maps\n IF ( .NOT. HGRD_INIT ( NPROCS, MYID ) ) THEN\n MSG = '*** Failure defining horizontal domain'\n CALL M3WARN ( 'GRID_INIT', 0, 0, MSG )\n SUCCESS = .FALSE.\n RETURN\n END IF\n\nC define vertical layer structure\n IF ( .NOT. VGRD_INIT() ) THEN\n MSG = '*** Failure defining vertical structure'\n CALL M3WARN ( 'GRID_INIT', 0, 0, MSG )\n SUCCESS = .FALSE.\n RETURN\n END IF\n\n MXCELLS = NCOLS * NROWS * NLAYS\n MXBLKS = 1 + ( MXCELLS - 1 ) / BLKSIZE\n\n ELSE\n MSG = 'Domain configuration already defined'\n CALL M3WARN ( 'GRID_INIT', 0, 0, MSG )\n SUCCESS = .FALSE.; RETURN\n#endif\n END IF ! FIRSTIME\n\n RETURN\n END FUNCTION GRID_INIT\n\n END MODULE GRID_CONF\n\n\n" }, { "path": "CCTM/src/grid/cartesian/HGRD_DEFN.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n MODULE HGRD_DEFN\n\nC Define the horizontal domain, globally and for each processor, if parallel\nC Revision History: David Wong 18 Feb 01: created\nC Jeff Young 23 Feb 01: generalize\nC 31 Mar 01: add BLKPRM.EXT\nC 10 Nov 01: change to use GRIDDESC, env vars\nC J Gipson 01 Sep 04: change block size to 50\nC J Young 07 Dec 04: remove layer dependency (for MXCELLS,\nC MXBLKS) to implement vertical layer\nC dyn alloc appropriately\nC J Young 22 Dec 05: move proc. anayl. stuff to PAGRD_DEFN\nC S. Roselle 29 Mar 11: Replaced I/O API include files\nC with UTILIO_DEFN\nC D. Wong 11 May 11: incorporated twoway model implementation\nC D. Wong Aug 15: Added a new logical variable, IO_PE_INCLUSIVE\nC to facilitate parallel I/O implementation\nC D. Wong 01 Feb 19: removed all MY_N clauses\nC.......................................................................\n USE RUNTIME_VARS\n\n IMPLICIT NONE\n\nC returned coordinate system (projection)\n CHARACTER( 16 ), SAVE :: COORD_SYS_NAME\n\nC map projection type (should be named PRTYP_GD!)\n INTEGER, SAVE :: GDTYP_GD = 2 ! LAMGRD3\n\nC first map projection parameter (degrees)\n REAL( 8 ), SAVE :: P_ALP_GD = 30.0\n\nC second map projection parameter (degrees)\n REAL( 8 ), SAVE :: P_BET_GD = 60.0\n\nC third map projection parameter (degrees)\n REAL( 8 ), SAVE :: P_GAM_GD = -90.0\n\nC longitude for coord-system center (degrees)\n REAL( 8 ), SAVE :: XCENT_GD = -90.0\n\nC latitude for coord-system center (degrees)\n REAL( 8 ), SAVE :: YCENT_GD = 40.0\n\n REAL( 8 ), SAVE :: XORIG_GD ! X-coordinate origin of computational grid\n REAL( 8 ), SAVE :: YORIG_GD ! Y-coordinate origin of computational grid\n\n REAL( 8 ), SAVE :: XCELL_GD ! X-coordinate cell width (M)\n REAL( 8 ), SAVE :: YCELL_GD ! Y-coordinate cell width (M)\n\n INTEGER, SAVE :: GL_NCOLS ! no. of columns in global grid\n INTEGER, SAVE :: GL_NROWS ! no. of rows in global grid\n INTEGER, SAVE :: GL_NBNDY ! no. of cells in one layer of global boundary\n \n INTEGER, SAVE :: NCOLS ! grid columns array dimension\n INTEGER, SAVE :: NROWS ! grid rows array dimension\n INTEGER, SAVE :: NBNDY ! no. of cells in one layer of local boundary\n \n! INTEGER, PARAMETER :: NTHIK = 1 ! boundary thickness (cells)\n INTEGER, SAVE :: NTHIK ! boundary thickness (cells)\n \n INTEGER, SAVE :: MY_NCOLS_DOT ! local no. of dot file grid columns\n INTEGER, SAVE :: MY_NROWS_DOT ! local no. of dot file grid rows\nC column range for each processor\n INTEGER, ALLOCATABLE, SAVE :: COLSX_PE( :,: )\n INTEGER, ALLOCATABLE, SAVE :: COLSD_PE( :,: ) ! dot file\nC row range for each processor\n INTEGER, ALLOCATABLE, SAVE :: ROWSX_PE( :,: )\n INTEGER, ALLOCATABLE, SAVE :: ROWSD_PE( :,: ) ! dot file\n\nC maximum stencil displacement in the north, east, south, and west direction\n INTEGER, PARAMETER :: MNDIS = 2\n INTEGER, PARAMETER :: MEDIS = 2\n INTEGER, PARAMETER :: MSDIS = 2\n INTEGER, PARAMETER :: MWDIS = 2\n\n LOGICAL :: IO_PE_INCLUSIVE\n\nC BLKPRM\n\n! INTEGER, PARAMETER :: BLKSIZE = 500\n! INTEGER, PARAMETER :: BLKSIZE = 50\n! INTEGER, SAVE :: MXCELLS\n! INTEGER, SAVE :: MXBLKS\n\nC Integral average conc\n\n CONTAINS\n\n FUNCTION HGRD_INIT ( NPROCS, MYID ) RESULT ( SUCCESS )\n\n USE UTILIO_DEFN\n\n! INCLUDE SUBST_VGRD_ID ! vertical dimensioning parameters\n\n INTEGER, INTENT( IN ) :: NPROCS ! total worker processors\n INTEGER, INTENT( IN ) :: MYID\n LOGICAL :: SUCCESS\n\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n CHARACTER( 96 ) :: XMSG = ' '\n\nC environment variable grid name to select from GRIDDESC\n INTEGER :: STATUS, ALST\n\n INTEGER, ALLOCATABLE :: NCOLS_PE( : ) ! Column range for each PE\n INTEGER, ALLOCATABLE :: NROWS_PE( : ) ! Row range for each PE\n\n INTEGER I\n\nC-----------------------------------------------------------------------\n\nC This function is expected to be called only once - at startup\n\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n SUCCESS = .TRUE.\n\n MYPE = MYID\n\n#ifndef mpas\nC With GRID_NAME (only input) retrieve all horizontal grid parameters from\nC the grid description file pointed to by the GRIDDESC env var:\n WRITE( LOGDEV, * )\n CALL LOG_HEADING( LOGDEV, \"Retrieve Horizontal Grid\" )\n IF ( .NOT. DSCGRID ( GRID_NAME,\n & COORD_SYS_NAME, GDTYP_GD, \n & P_ALP_GD, P_BET_GD, P_GAM_GD,\n & XCENT_GD, YCENT_GD,\n & XORIG_GD, YORIG_GD, XCELL_GD, YCELL_GD,\n & GL_NCOLS, GL_NROWS, NTHIK ) ) THEN\n XMSG = 'Failure retrieving horizontal grid parameters'\n CALL M3WARN ( 'HGRD_INIT', 0, 0, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n#endif\n \n IF ( GL_NROWS .LE. 1 .AND. GL_NCOLS .LE. 1 ) COLUMN_MODEL = .TRUE.\n\nC Check NPROCS against NPCOL*NPROW\n IF ( NPROCS .NE. NPCOL*NPROW ) THEN\n WRITE( LOGDEV,* ) ' --- Nprocs, NProw, NPcol ',\n & NPROCS, NPROW, NPCOL\n XMSG = 'NPROCS is not equal to NPCOL*NPROW'\n CALL M3WARN ( 'HGRD_INIT', 0, 0, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\n IF ( NPROCS .GT. GL_NCOLS*GL_NROWS ) THEN\n\n WRITE( LOGDEV,* ) ' --- Nprocs, TOTAL_NCOLS, TOTAL_NROWS ',\n & NPROCS, GL_NCOLS, GL_NROWS\n IF ( MYPE .EQ. 0 ) THEN\n WRITE( OUTDEV,'(A,4(1X,I4))') ' --- Nprocs, TOTAL_NCOLS, TOTAL_NROWS ',\n & NPROCS, GL_NCOLS, GL_NROWS\n END IF\n\n XMSG = 'NPROCS must be less than or equal to TOTAL_NCOLS*TOTAL_NROWS'\n IF ( MYPE .EQ. 0 ) THEN\n WRITE(OUTDEV,'(A)')TRIM( XMSG )\n END IF \n CALL M3WARN ( 'HGRD_INIT', 0, 0, XMSG )\n\n XMSG = 'Change NPROCS, NPCOL, NPROW in runscript to fit TOTAL_NCOLS and TOTAL_NROWS'\n IF ( MYPE .EQ. 0 ) THEN\n WRITE(OUTDEV,'(A,/)')TRIM( XMSG )\n END IF \n WRITE(LOGDEV,'(A)')TRIM( XMSG )\n\n SUCCESS = .FALSE.; RETURN\n\n END IF\n\n ALLOCATE ( COLSX_PE( 2,NPROCS ),\n & ROWSX_PE( 2,NPROCS ), STAT = ALST )\n IF ( ALST .NE. 0 ) THEN\n XMSG = '*** COLSX_PE or ROWSX_PE Memory allocation failed'\n CALL M3WARN ( 'HGRD_INIT', 0, 0, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\n ALLOCATE ( COLSD_PE( 2,NPROCS ),\n & ROWSD_PE( 2,NPROCS ), STAT = ALST )\n IF ( ALST .NE. 0 ) THEN\n XMSG = '*** COLSD_PE or ROWSD_PE Memory allocation failed'\n CALL M3WARN ( 'HGRD_INIT', 0, 0, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\n ALLOCATE ( NCOLS_PE( NPROCS ),\n & NROWS_PE( NPROCS ), STAT = ALST )\n IF ( ALST .NE. 0 ) THEN\n XMSG = '*** NCOLS_PE or NROWS_PE Memory allocation failed'\n CALL M3WARN ( 'HGRD_INIT', 0, 0, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\nC Construct the processor-to-subdomain map for main domain\n CALL SUBHDOMAIN( NPROCS, NPCOL, NPROW, GL_NCOLS, GL_NROWS,\n & NCOLS_PE, NROWS_PE, COLSX_PE, ROWSX_PE )\n\nC Get corresponding dot file map\n\n DO I = 1, NPROCS\n COLSD_PE( 1,I ) = COLSX_PE( 1,I )\n COLSD_PE( 2,I ) = COLSX_PE( 2,I )\n ROWSD_PE( 1,I ) = ROWSX_PE( 1,I )\n ROWSD_PE( 2,I ) = ROWSX_PE( 2,I )\n END DO\n\n DO I = NPCOL, NPROCS, NPCOL\n COLSD_PE( 2,I ) = COLSD_PE( 2,I ) + 1\n END DO\n\n DO I = NPROCS, NPROCS - NPCOL + 1, -1\n ROWSD_PE( 2,I ) = ROWSD_PE( 2,I ) + 1\n END DO\n\n NCOLS = NCOLS_PE( MYPE+1 )\n NROWS = NROWS_PE( MYPE+1 )\n NBNDY = 2*NTHIK * ( NCOLS + NROWS + 2*NTHIK )\n GL_NBNDY = 2*NTHIK * ( GL_NCOLS + GL_NROWS + 2*NTHIK )\n\n MY_NCOLS_DOT = COLSD_PE( 2,MYPE+1 ) - COLSD_PE( 1,MYPE+1 ) + 1\n MY_NROWS_DOT = ROWSD_PE( 2,MYPE+1 ) - ROWSD_PE( 1,MYPE+1 ) + 1\n\n! MXCELLS = NCOLS * NROWS * NLAYS\n! MXBLKS = 1 + ( MXCELLS - 1 ) / BLKSIZE\n\n DEALLOCATE ( NCOLS_PE )\n DEALLOCATE ( NROWS_PE )\n\n ELSE\n XMSG = 'Horizontal domain decomposition already defined'\n CALL M3WARN ( 'HGRD_INIT', 0, 0, XMSG )\n SUCCESS = .FALSE.; RETURN\n\n END IF ! FIRSTIME\n\n RETURN\n END FUNCTION HGRD_INIT\n \n END MODULE HGRD_DEFN\n" }, { "path": "CCTM/src/grid/cartesian/PAGRD_DEFN.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n MODULE PAGRD_DEFN\n\nC process analysis variables that are dependent on NCOLS, NROWS\n\nC Preconditions: HGRD_INIT() called from PAR_INIT, which is called from DRIVER\n\nC Revision History:\nC J.Young 17 Aug 01: create\nC D.Wong, J.Young Oct 01: set dimensions for DELC and CSAV correctly for\nC subdomain; IRROUT must have full domain because of SE_DATA_COPY in pa_output\nC J.Young 31 Jan 05: dyn alloc - establish both horizontal & vertical domain\nC specifications in one module\nC J.Young 22 Dec 05: move proc. analy. stuff from HGRD_DEFN to here. create\nC arrays COLSZ_PE and ROWSZ_PE for proc analy, which are equivalent to\nC COLSX_PE and ROWSX_PE\nC J.Young 8 Jul 10: minor mods\nC S. Roselle 29 Mar 11: Replaced I/O API include files with UTILIO_DEFN\nC J.Young 14 Sep 11: allow default subdomain values\nC J.Young 28 Jun 16: use PA_DEFN module intead of include files\nC J.Young 16 Sep 16: update for inline procan\nC C. Nolte, S. Roselle Sep 18: replace M3UTILIO with UTILIO_DEFN\nC D.Dwong 01 Feb 19: removed all MY_N clauses\nC.......................................................................\n USE RUNTIME_VARS\n\n IMPLICIT NONE\n\nC Total number of columns, rows and layers for PA output\n INTEGER, SAVE :: PACOLS, PAROWS, PALEVS\n\nC Starting and ending column of local PA grid in this processor\n INTEGER, SAVE :: MY_BEGCOL, MY_ENDCOL\nC Starting and ending row of local PA grid in this processor\n INTEGER, SAVE :: MY_BEGROW, MY_ENDROW\nC Starting and ending layer of local PA grid in this processor\n INTEGER, SAVE :: MY_BEGLEV, MY_ENDLEV\n\nC Starting and ending column of local IRR grid in this processor\n INTEGER, SAVE :: MY_IRR_BEGCOL, MY_IRR_ENDCOL\nC Starting and ending row of local IRR grid in this processor\n INTEGER, SAVE :: MY_IRR_BEGROW, MY_IRR_ENDROW\nC Starting and ending layer of local IRR grid in this processor\n INTEGER, SAVE :: MY_IRR_BEGLEV, MY_IRR_ENDLEV\n\nC Number of columns and rows of local PA/IRR grid in this processor\n INTEGER, SAVE :: MY_PACOLS, MY_PAROWS\n\nC column and row range for each processor\n INTEGER, ALLOCATABLE, SAVE :: COLSZ_PE( :,: ), ROWSZ_PE( :,: )\n\nC Conc difference for a science process\n REAL, ALLOCATABLE, SAVE :: DELC( :,:,:,: )\n\nC Array for outputting IRR results\n REAL, ALLOCATABLE, SAVE :: IRROUT( :,:,:,: )\n\nC Buffer for writing IRR results\n REAL, ALLOCATABLE, SAVE :: DBUFF( :,:,: )\n\n CONTAINS\n FUNCTION PAGRD_INIT ( RANK ) RESULT ( SUCCESS )\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE UTILIO_DEFN\n#ifndef mpas\n#ifdef parallel\n USE SE_MODULES ! stenex (using SE_UTIL_MODULE)\n#else\n USE NOOP_MODULES ! stenex (using NOOP_UTIL_MODULE)\n#endif\n#endif\n USE PA_DEFN ! Process Anaylsis control and data variables\n\n INTEGER, INTENT( IN ) :: RANK\n LOGICAL SUCCESS\n\n INTEGER IRCOLS\n INTEGER IRROWS\n INTEGER IRLEVS\n\n INTEGER, ALLOCATABLE :: NCOLS_PE( : ) ! Column range for each PE\n INTEGER, ALLOCATABLE :: NROWS_PE( : ) ! Row range for each PE\n\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n INTEGER ALST\n INTEGER X1F0 ! dimension homotopy for parallel or serial\n CHARACTER( 16 ) :: PNAME = 'PAGRD_INIT'\n CHARACTER( 96 ) :: XMSG = ' '\n\nC-----------------------------------------------------------------------\n\nC This function is expected to be called only once - at startup\n\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n SUCCESS = .TRUE.\n\n IF ( LIPR .OR. LIRR ) THEN\n\nC Retrieve the process analysis subdomain dimensions:\n IF ( PA_ENDCOL .EQ. 0 ) PA_ENDCOL = GL_NCOLS\n IF ( PA_ENDROW .EQ. 0 ) PA_ENDROW = GL_NROWS\n IF ( PA_ENDLEV .EQ. 0 ) PA_ENDLEV = NLAYS\n\n IF ( PA_BEGCOL .LT. 1 .OR. PA_ENDCOL .GT. GL_NCOLS .OR.\n & PA_BEGROW .LT. 1 .OR. PA_ENDROW .GT. GL_NROWS .OR.\n & PA_BEGLEV .LT. 1 .OR. PA_ENDLEV .GT. NLAYS ) THEN\n XMSG = 'Process Analysis domain inconsistent with CTM domain' \n CALL M3WARN ( PNAME, 0, 0, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\n#ifndef mpas\nC Determine IPR subgrid mapping with data redistribution\n CALL SUBST_SUBGRID_INDEX\n & ( PA_BEGCOL, PA_ENDCOL, PA_BEGROW, PA_ENDROW,\n & PA_BEGLEV, PA_ENDLEV,\n & MY_BEGCOL, MY_ENDCOL, MY_BEGROW, MY_ENDROW,\n & MY_BEGLEV, MY_ENDLEV, MY_PACOLS, MY_PAROWS )\n\n PACOLS = PA_ENDCOL - PA_BEGCOL + 1\n PAROWS = PA_ENDROW - PA_BEGROW + 1\n PALEVS = PA_ENDLEV - PA_BEGLEV + 1\n#endif\n\n ALLOCATE ( NCOLS_PE( NPROCS ),\n & NROWS_PE( NPROCS ), STAT = ALST )\n IF ( ALST .NE. 0 ) THEN\n XMSG = '*** PA_NCOLS_PE or PA_NROWS_PE Memory allocation failed'\n CALL M3WARN ( PNAME, 0, 0, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\n ALLOCATE ( COLSZ_PE( 2,NPROCS ),\n & ROWSZ_PE( 2,NPROCS ), STAT = ALST )\n IF ( ALST .NE. 0 ) THEN\n XMSG = '*** COLSX_PE or ROWSX_PE Memory allocation failed'\n CALL M3WARN ( PNAME, 0, 0, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\nC Construct the processor-to-subdomain map for IPR domain\n CALL SUBHDOMAIN( NPROCS, NPCOL, NPROW, PACOLS, PAROWS,\n & NCOLS_PE, NROWS_PE, COLSZ_PE, ROWSZ_PE )\n\n MY_PACOLS = NCOLS_PE( RANK+1 )\n MY_PAROWS = NROWS_PE( RANK+1 )\n\n IF ( LIPR ) THEN\n\n ALLOCATE ( DELC( MY_PACOLS,MY_PAROWS,PALEVS,NIPRVAR ),\n & STAT = ALST )\n IF ( ALST .NE. 0 ) THEN\n XMSG = '*** DELC Memory allocation failed'\n CALL M3WARN ( PNAME, 0, 0, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\n END IF\n\n IF ( LIRR ) THEN\n\nC Determine IRR subgrid mapping without data redistribution\n#ifndef mpas\n CALL SUBST_SUBGRID_INDEX\n & ( PA_BEGCOL, PA_ENDCOL, PA_BEGROW, PA_ENDROW,\n & PA_BEGLEV, PA_ENDLEV,\n & MY_IRR_BEGCOL, MY_IRR_ENDCOL, MY_IRR_BEGROW,\n & MY_IRR_ENDROW, MY_IRR_BEGLEV, MY_IRR_ENDLEV, 'N' )\n#endif\n\n X1F0 = ( NCOLS / GL_NCOLS ) * ( NROWS / GL_NROWS )\n IRCOLS = X1F0 * PACOLS + ( 1 - X1F0 ) * NCOLS\n IRROWS = X1F0 * PAROWS + ( 1 - X1F0 ) * NROWS\n IRLEVS = PALEVS\n\n ALLOCATE ( IRROUT( IRCOLS,IRROWS,IRLEVS,NIRRVAR ),\n & STAT = ALST )\n IF ( ALST .NE. 0 ) THEN\n XMSG = '*** IRROUT Memory allocation failed'\n CALL M3WARN ( PNAME, 0, 0, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\n ALLOCATE ( DBUFF( MY_PACOLS,MY_PAROWS,PALEVS ), STAT = ALST )\n IF ( ALST .NE. 0 ) THEN\n XMSG = 'ERROR allocating DBUFF'\n CALL M3WARN ( PNAME, 0, 0, XMSG )\n SUCCESS = .FALSE.; RETURN\n ENDIF\n\n END IF\n\n ELSE\n\n PA_BEGCOL = 1\n PA_ENDCOL = 1\n PA_BEGROW = 1\n PA_ENDROW = 1\n PA_BEGLEV = 1\n PA_ENDLEV = 1\n\n XMSG = 'No Process Analysis for this run'\n CALL M3WARN ( PNAME, 0, 0, XMSG )\n SUCCESS = .TRUE.; RETURN\n\n END IF\n\n ELSE ! called more than once\n\n XMSG = 'Horizontal domain dependent variables already allocated'\n CALL M3WARN ( PNAME, 0, 0, XMSG )\n SUCCESS = .FALSE.; RETURN\n\n END IF ! FIRSTIME\n\n RETURN\n END FUNCTION PAGRD_INIT\n\n END MODULE PAGRD_DEFN\n" }, { "path": "CCTM/src/grid/cartesian/PCGRID_DEFN.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n MODULE PCGRID_DEFN\n\nC-----------------------------------------------------------------------\nC Function:\nC Create CGRID target, PCGRID. CGRID becomes a pointer to enable a one-\nC cell ghost region around CGRID for PinG\n\nC Preconditions:\nC Horizontal domain extents must be set (subroutine PAR_INIT -> HGRD_DEFN)\nC Number of species in the species groups must be available (include files\nC in CGRID_SPCS)\nC This module is referenced in driver and sciproc. driver must call HGRD_INIT,\nC CGRID_MAP, and PAR_INIT prior to calling PCGRID_INIT (below).\n\nC Subroutines and functions called:\n\nC Revision history:\nC Apr 00 - Al, David, Jeff - initial implementation\nC Dec 00 - Jeff - add CGRID_MAP \"method\"\nC Jan 01 - Jeff - remove CGRID_MAP \"method\" - now in module CGRID_SPCS\nC Nov 01 - Jeff - correct pointer reference for ping\nC Dec 04 - Jeff - dyn alloc - USE VGRD_DEFN\nC Jan 05 - Jeff - dyn alloc - establish both horizontal & vertical\nC domain specifications in one module\nC 21 Jun 10 J.Young: convert for Namelist redesign\nC 29 Mar 11 S.Roselle: Replaced I/O API include files with UTILIO_DEFN\n\nC-----------------------------------------------------------------------\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE CGRID_SPCS, ONLY: NSPCSD ! CGRID mechanism species\n\n IMPLICIT NONE\n\n REAL, ALLOCATABLE, SAVE, TARGET :: PCGRID( :,:,:,: )\n\n CONTAINS\n FUNCTION PCGRID_INIT () RESULT ( SUCCESS )\n\n USE UTILIO_DEFN\n\n! INCLUDE SUBST_VGRD_ID ! vertical dimensioning parameters\n\n LOGICAL :: SUCCESS\n INTEGER :: ALLOCSTAT\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n CHARACTER( 120 ) :: XMSG = ' '\n\nC PCGRID extents\n INTEGER :: LCOL\n INTEGER :: HCOL\n INTEGER :: LROW\n INTEGER :: HROW\n\n SUCCESS = .TRUE.\n\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n\n#ifdef parallel\n LCOL = 1 - NTHIK\n HCOL = NCOLS + NTHIK\n LROW = 1 - NTHIK\n HROW = NROWS + NTHIK\n#else\n LCOL = 1\n HCOL = NCOLS\n LROW = 1\n HROW = NROWS\n#endif\n\n ALLOCATE ( PCGRID( LCOL:HCOL,LROW:HROW,NLAYS,NSPCSD ),\n & STAT = ALLOCSTAT )\n\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating PCGRID'\n CALL M3WARN ( 'PCGRID_INIT', 0, 0, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\n PCGRID = 0.0\n! PCGRID = -999.999\n\n ELSE\n XMSG = 'PCGRID already ALLOCATED'\n CALL M3WARN ( 'PCGRID_INIT', 0, 0, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\n RETURN\n END FUNCTION PCGRID_INIT\n\n END MODULE PCGRID_DEFN\n" }, { "path": "CCTM/src/grid/cartesian/VGRD_DEFN.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n MODULE VGRD_DEFN\n\nC Define the vertical layer structure (replaces COORD.EXT and VGRD.EXT)\nC Revision History: Jeff Young: 6 Dec 04: created\nC 26 Jul 06: comments in line with PARMS3.EXT\nC S. Roselle 29 Mar 11: Replaced I/O API include files\nC with UTILIO_DEFN\nC D. Wong 11 May 11: incorporated twoway model implementation\nC.......................................................................\n\n USE RUNTIME_VARS\n\n IMPLICIT NONE\n\n INTEGER, SAVE :: NLAYS = 0\n\n REAL, ALLOCATABLE, SAVE :: VGLVS_GD( : ) ! vert layer surface values\n REAL, ALLOCATABLE, SAVE :: X3FACE_GD( : ) ! mono. incr. vert coord values\n ! = 1 - VGLVS_GD\n CHARACTER( 16 ), SAVE :: GDNAME_GD\n\nC The definitions and declarations in this F90 Module follow those\nC given in the I/O-API include file FDESC3C.EXT and replace similar\nC definitions. This F90 Module is compatible with FDESC3C.EXT.\n\nC VGTYP_GD:\nC The vertical grid type:\nC 1: VGSGPH3 : hydrostatic sigma-P\nC 2: VGSGPN3 : non-h sigma-P\nC 3: VGSIGZ3 : sigma-Z\nC 4: VGPRES3 : pressure (mb)\nC 5: VGZVAL3 : Z (m) (above sea lvl)\nC 6: VGHVAL3 : H (m) (above ground)\nC 7: VGWRFEM : WRF mass-core sigma\nC 8: VGWRFNM : WRF NMM\nC 9: IMISS3 for vertical coordinates not stored in VGLVSD\nC (e.g., temporally or spatially changing vertical coordinates)\n\n INTEGER, SAVE :: VGTYP_GD\n\nC VGTPUN_GD:\nC The units of the vertical coordinate top.\n\n CHARACTER( 16 ), SAVE :: VGTPUN_GD\n\nC VGTOP_GD:\nC The value for the model top used in the definition of the sigma coordinate\nC systems in the VGTPUN_GD units.\n\n REAL, SAVE :: VGTOP_GD\n\nC For sigma-P, the relationship between pressure levels P and sigma-P is\nC given by:\nC sigma-P = ( P - VGTOP_GD ) / (P_srf - VGTOP_GD ),\nC where P_srf is the surface pressure.\n\nC VGLVUN_GD:\nC The units of the vertical coordinate surface values,\n\n CHARACTER( 16 ) :: VGLVUN_GD\n\nC-----------------------------------------------------------------------\n\n CONTAINS\n\n FUNCTION VGRD_INIT ( ) RESULT ( SUCCESS )\n\n USE UTILIO_DEFN\n\n IMPLICIT NONE\n\n LOGICAL :: SUCCESS\n\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n CHARACTER( 96 ) :: XMSG = ' '\n! CHARACTER( 16 ) :: LAYER_FILE = 'LAYER_FILE'\n CHARACTER( 16 ) :: LAYER_FILE = 'MET_CRO_3D'\n\n INTEGER L, ALLOCSTAT\n\nC This function is expected to be called only once - at startup\n\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n SUCCESS = .TRUE.\n\n#ifndef mpas\n\nC get vert layer definition from LAYER_FILE\n\n WRITE( LOGDEV, * )\n CALL LOG_HEADING( LOGDEV, \"Retrieve Vertical Grid\" )\n IF ( .NOT. OPEN3( LAYER_FILE, FSREAD3, 'VGRD_INIT' ) ) THEN\n XMSG = 'Could not open '// LAYER_FILE\n CALL M3WARN ( 'VGRD_INIT', 0, 0, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\n IF ( .NOT. DESC3( LAYER_FILE ) ) THEN\n XMSG = 'Could not get ' // LAYER_FILE // ' file description'\n CALL M3WARN ( 'VGRD_INIT', 0, 0, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\n GDNAME_GD = GDNAM3D\n\n NLAYS = NLAYS3D\n\n VGTYP_GD = VGTYP3D\n VGTOP_GD = VGTOP3D\n VGTPUN_GD = 'Pa'\n VGLVUN_GD = 'none'\n\n ALLOCATE ( VGLVS_GD( NLAYS + 1 ), STAT = ALLOCSTAT )\n ALLOCATE ( X3FACE_GD( 0:NLAYS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating VGLVS_GD, X3FACE_GD'\n CALL M3WARN ( 'VGRD_INIT', 0, 0, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\n DO L = 1, NLAYS + 1\n VGLVS_GD( L ) = VGLVS3D( L )\n END DO\n\nC set layer layer thickenesses\n\n DO L = 0, NLAYS\n X3FACE_GD( L ) = 1.0 - VGLVS_GD( L + 1 )\n END DO\n\n ELSE\n XMSG = 'Vertical layer structure already defined'\n CALL M3WARN ( 'VGRD_INIT', 0, 0, XMSG )\n SUCCESS = .FALSE.; RETURN\n\n#endif\n\n END IF ! FIRSTIME\n\n RETURN\n END FUNCTION VGRD_INIT\n\n END MODULE VGRD_DEFN\n\nC 21 VGLVS_GD X3FACE_GD\nC \nC 1 1.0 0.0\nC 2 0.995 0.005\nC 3 0.99 0.01\nC 4 0.985 0.015\nC 5 0.98 0.02\nC 6 0.97 0.03\nC 7 0.96 0.04\nC 8 0.945 0.055\nC 9 0.93 0.07\nC 10 0.91 0.09\nC 11 0.89 0.11\nC 12 0.865 0.135\nC 13 0.84 0.16\nC 14 0.78 0.22\nC 15 0.7 0.3\nC 16 0.6 0.4\nC 17 0.5 0.5\nC 18 0.4 0.6\nC 19 0.3 0.7\nC 20 0.2 0.8\nC 21 0.1 0.9\nC 22 0.0 1.0\n" }, { "path": "CCTM/src/hadv/ppm/advbc_map.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE ADVBC_MAP ( CONCMIN, BCNAME, BCFAC, ONFILE )\n \nC-----------------------------------------------------------------------\nC Function:\nC Set up advected species mapping to BCON data - read variable BCNAME\nC from file - if BCNAME is blank, skip read and zero out the BCON array\nC for the variable corresponding to the blank BCNAME\nC BCNAME returned is either the file variable name, the file name\nC corresponding to the ICBC surrogate nate, or blank\n\nC Preconditions:\n\nC Subroutines and functions called:\n\nC OPEN3, DESC3, INDEX1, TRIMLEN, FINDEX, M3MESG, M3EXIT\n\nC Revision history:\nC Jeff - Aug 1997 Based on beta version\nC 21 Jun 10 J.Young: convert for Namelist redesign\nC 16 Feb 11 S.Roselle: replaced I/O API include files with UTILIO_DEFN;\nC removed deprecated TRIMLEN\nC 10 Sep 11 J.Young: changed Namelist surrogate policy to enable use of\nC icbc factors\nC 21 Oct 16 D.Wong: If both surrogate and species are on the BC file, write to\nC the log that the surrogate is used.\nC 01 Feb 19 D.Wong: Implemented centralized I/O approach\nC-----------------------------------------------------------------------\n\n USE CGRID_SPCS ! CGRID mechanism species\n USE UTILIO_DEFN\n USE CENTRALIZED_IO_MODULE, only : n_cio_bc_file_vars, cio_bc_file_var_name\n\n IMPLICIT NONE\n \nC Includes:\n INCLUDE SUBST_FILES_ID ! file name parameters\n\nC Arguments:\n CHARACTER( 16 ), INTENT( IN ) :: CONCMIN ! min value allowed for BCs\n CHARACTER( 16 ), INTENT( OUT ) :: BCNAME( : ) ! BC name for adv species\n REAL, INTENT( OUT ) :: BCFAC ( : ) ! Scale factor for BCs\n LOGICAL, INTENT( OUT ) :: ONFILE( : ) ! BCs exist on file for this name\n\nC External Functions:\n INTEGER, EXTERNAL :: FINDEX\n\nC Local variables:\n CHARACTER( 16 ) :: PNAME = 'ADVBC_MAP'\n! CHARACTER( 16 ) :: BLNK = ' '\n! CHARACTER( 16 ) :: BLNK = ' '\n CHARACTER( 96 ) :: XMSG = ' '\n CHARACTER( 16 ), ALLOCATABLE, SAVE :: WRVAR( : )\n\n INTEGER WRCNT ! no. of species not on file\n INTEGER :: XDATE = 999999 ! dummy date\n INTEGER :: XTIME = 999999 ! dummy time\n INTEGER INDX ! Species index\n INTEGER ISUR ! Surrogate index\n INTEGER ITRNS ! Transport species index\n INTEGER SPC, VAR ! loop copunters\n INTEGER IERR\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n\nC Map advected species to bc`s\n\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n\n ALLOCATE ( WRVAR( N_GC_TRNS + N_AE_TRNS + N_NR_TRNS + N_TR_ADV ), STAT = IERR )\n IF ( IERR .NE. 0 ) THEN\n XMSG = 'Error allocating WRVAR'\n CALL M3EXIT( PNAME, XDATE, XTIME, XMSG, XSTAT1 )\n END IF\n\n END IF\n \n SPC = 0\n \n ! Map advected reactive gas species to bc`s\n\n IF ( N_GC_TRNS .GT. 0 ) THEN\n\n WRCNT = 0\n DO VAR = 1, N_GC_TRNS\n SPC = SPC + 1\n ONFILE( SPC ) = .TRUE.\n BCFAC( SPC ) = 1.0\n INDX = 0\n\n ISUR = FINDEX( GC_TRNS_MAP( VAR ), N_GC_BC, GC_BC_MAP )\n\n IF ( ISUR .NE. 0 ) THEN ! variable has a surrogate name\n INDX = INDEX1( GC_BC( ISUR ), n_cio_bc_file_vars, cio_bc_file_var_name )\n IF ( INDX .NE. 0 ) THEN ! BC file surrogate is used\n BCNAME( SPC ) = cio_bc_file_var_name( INDX )\n BCFAC( SPC ) = GC_BC_FAC( ISUR )\n END IF\n END IF\n\n ! If there is no surrogate or it can`t be found, look \n ! for the adv species on the BC file\n IF ( ISUR .EQ. 0 .OR. INDX .EQ. 0 ) THEN\n ITRNS = INDEX1( GC_TRNS( VAR ), n_cio_bc_file_vars, cio_bc_file_var_name )\n IF ( ITRNS .NE. 0 ) THEN\n BCNAME( SPC ) = cio_bc_file_var_name( ITRNS )\n ELSE\n ONFILE( SPC ) = .FALSE.\n WRCNT = WRCNT + 1\n WRVAR( WRCNT ) = GC_TRNS( VAR )\n END IF\n END IF\n\n#ifdef verbose_rdbcon\n write( logdev,* ) '=b=spc,name: ', spc, bcname( spc ),\n & ' bcfac:', bcfac( spc )\n write( logdev,* ) ' '\n#endif\n\n END DO\n\n IF ( WRCNT .GT. 0 ) THEN\n WRITE( LOGDEV,1019 ) TRIM( BNDY_CONC_1 ), TRIM( CONCMIN )\n DO VAR = 1, WRCNT\n WRITE( LOGDEV,1025 ) TRIM( WRVAR( VAR ) )\n END DO\n END IF\n\n END IF\n\n ! Map advected aerosol species to bc`s\n\n IF ( N_AE_TRNS .GT. 0 ) THEN\n\n WRCNT = 0\n DO VAR = 1, N_AE_TRNS\n SPC = SPC + 1\n ONFILE( SPC ) = .TRUE.\n BCFAC( SPC ) = 1.0\n INDX = 0\n\n ISUR = FINDEX( AE_TRNS_MAP( VAR ), N_AE_BC, AE_BC_MAP )\n\n IF ( ISUR .NE. 0 ) THEN ! variable has a surrogate name\n INDX = INDEX1( AE_BC( ISUR ), n_cio_bc_file_vars, cio_bc_file_var_name )\n IF ( INDX .NE. 0 ) THEN ! BC file surrogate is used\n BCNAME( SPC ) = cio_bc_file_var_name( INDX )\n BCFAC( SPC ) = AE_BC_FAC( ISUR )\n END IF\n END IF\n \n ! If there is no surrogate or it can`t be found, look \n ! for the adv species on the BC file\n IF ( ISUR .EQ. 0 .OR. INDX .EQ. 0 ) THEN\n ITRNS = INDEX1( AE_TRNS( VAR ), n_cio_bc_file_vars, cio_bc_file_var_name )\n IF ( ITRNS .NE. 0 ) THEN\n BCNAME( SPC ) = cio_bc_file_var_name( ITRNS )\n ELSE\n ONFILE( SPC ) = .FALSE.\n WRCNT = WRCNT + 1\n WRVAR( WRCNT ) = AE_TRNS( VAR )\n END IF\n END IF\n\n#ifdef verbose_rdbcon\n write( logdev,* ) '=b=spc,name: ', spc, bcname( spc ),\n & ' bcfac:', bcfac( spc )\n write( logdev,* ) ' '\n#endif\n\n END DO\n\n IF ( WRCNT .GT. 0 ) THEN\n WRITE( LOGDEV,1019 ) TRIM( BNDY_CONC_1 ), TRIM( CONCMIN )\n DO VAR = 1, WRCNT\n WRITE( LOGDEV,1025 ) TRIM( WRVAR( VAR ) )\n END DO\n END IF \n\n END IF\n \n ! Map advected non-reactive species to bc`s\n\n IF ( N_NR_TRNS .GT. 0 ) THEN\n\n WRCNT = 0\n DO VAR = 1, N_NR_TRNS\n SPC = SPC + 1\n ONFILE( SPC ) = .TRUE.\n BCFAC( SPC ) = 1.0\n INDX = 0\n \n ISUR = FINDEX( NR_TRNS_MAP( VAR ), N_NR_BC, NR_BC_MAP )\n\n IF ( ISUR .NE. 0 ) THEN ! variable has a surrogate name\n INDX = INDEX1( NR_BC( ISUR ), n_cio_bc_file_vars, cio_bc_file_var_name )\n IF ( INDX .NE. 0 ) THEN ! BC file surrogate is used\n BCNAME( SPC ) = cio_bc_file_var_name( INDX )\n BCFAC( SPC ) = NR_BC_FAC( ISUR )\n END IF\n END IF\n\n ! If there is no surrogate or it can`t be found, look \n ! for the adv species on the BC file\n IF ( ISUR .EQ. 0 .OR. INDX .EQ. 0 ) THEN\n ITRNS = INDEX1( NR_TRNS( VAR ), n_cio_bc_file_vars, cio_bc_file_var_name )\n IF ( ITRNS .NE. 0 ) THEN\n BCNAME( SPC ) = cio_bc_file_var_name( ITRNS )\n ELSE\n ONFILE( SPC ) = .FALSE.\n WRCNT = WRCNT + 1\n WRVAR( WRCNT ) = NR_TRNS( VAR )\n END IF\n END IF\n\n#ifdef verbose_rdbcon\n write( logdev,* ) '=b=spc,name: ', spc, bcname( spc ),\n & ' bcfac:', bcfac( spc )\n write( logdev,* ) ' '\n#endif\n\n END DO\n\n IF ( WRCNT .GT. 0 ) THEN\n WRITE( LOGDEV,1019 ) TRIM( BNDY_CONC_1 ), TRIM( CONCMIN )\n DO VAR = 1, WRCNT\n WRITE( LOGDEV,1025 ) TRIM( WRVAR( VAR ) )\n END DO\n END IF \n\n END IF\n \n ! Map advected tracer species to bc`s\n\n IF ( N_TR_ADV .GT. 0 ) THEN\n\n WRCNT = 0\n DO VAR = 1, N_TR_ADV\n SPC = SPC + 1\n ONFILE( SPC ) = .TRUE.\n BCFAC( SPC ) = 1.0\n INDX = 0\n\n ISUR = FINDEX( TR_ADV_MAP( VAR ), N_TR_BC, TR_BC_MAP )\n\n IF ( ISUR .NE. 0 ) THEN ! variable has a surrogate name\n INDX = INDEX1( TR_BC( ISUR ), n_cio_bc_file_vars, cio_bc_file_var_name )\n IF ( INDX .NE. 0 ) THEN ! BC file surrogate is used\n BCNAME( SPC ) = cio_bc_file_var_name( INDX )\n BCFAC( SPC ) = TR_BC_FAC( ISUR )\n END IF\n END IF\n\n ! If there is no surrogate or it can`t be found, look \n ! for the adv species on the BC file\n IF ( ISUR .EQ. 0 .OR. INDX .EQ. 0 ) THEN\n ITRNS = INDEX1( TR_ADV( VAR ), n_cio_bc_file_vars, cio_bc_file_var_name )\n IF ( ITRNS .NE. 0 ) THEN\n BCNAME( SPC ) = cio_bc_file_var_name( ITRNS )\n ELSE\n ONFILE( SPC ) = .FALSE.\n WRCNT = WRCNT + 1\n WRVAR( WRCNT ) = TR_ADV( VAR )\n END IF\n END IF\n\n#ifdef verbose_rdbcon\n write( logdev,* ) '=b=spc,name: ', spc, bcname( spc ),\n & ' bcfac:', bcfac( spc )\n write( logdev,* ) ' '\n#endif\n\n END DO\n\n IF ( WRCNT .GT. 0 ) THEN\n WRITE( LOGDEV,1019 ) TRIM( BNDY_CONC_1 ), TRIM( CONCMIN )\n DO VAR = 1, WRCNT\n WRITE( LOGDEV,1025 ) TRIM( WRVAR( VAR ) )\n END DO\n END IF \n\n END IF\n\n RETURN\n\n1015 FORMAT( / 5X, \"BC file surrogate \", A, \" used instead of adv species, \", A )\n1019 FORMAT( / 5X, \"No BC's in file \" A, \" for the following adv species:\"\n & 1X, \"Set to \" A )\n1025 FORMAT( 10X, A )\n\n END\n" }, { "path": "CCTM/src/hadv/ppm/hadvppm.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE HADV ( CGRID, JDATE, JTIME, TSTEP, ASTEP )\n\nC-----------------------------------------------------------------------\nC Function:\nC Advection in the horizontal plane\nC The process time step is set equal to TSTEP(2). Boundary concentrations\nC are coupled in RDBCON with SqRDMT = Sq. Root [det ( metric tensor )]\nC = Jacobian / (map scale factor)**2\nC where Air Density X SqRDMT is loaded into last BCON slot for advection.\n \nC Preconditions:\nC Dates and times represented YYYYDDD:HHMMSS.\nC No \"skipped\" dates and times. All boundary input variables have the\nC same boundary perimeter structure with a thickness of 1\nC CGRID in transport units: SQRT{DET[metric tensor]}*concentration (Mass/Vol)\n \nC Subroutines and functions called:\n \nC Revision history:\nC 19 Jan 2004: Jeff Young\nC 7 Jul 2007: Jeff Young - declare MTRHOJ dimensions properly in order to retain\nC them as declared in X_YAMO and Y_YAMO\nC 21 Jun 10 J.Young: convert for Namelist redesign\nC 16 Feb 11 S.Roselle: replaced I/O API include files with UTILIO_DEFN\nC 11 May 11 D.Wong: incorporated twoway model implementation\nC May 2019 j. pleim: removed yamo hadvect subroutines\nC 11 Dec 19 S.L.Napelenok: ddm-3d implementation for version 5.3.1\n \nC-----------------------------------------------------------------------\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE CGRID_SPCS ! CGRID mechanism species\n USE XY_BUDGET\n USE PA_DEFN, ONLY: LIPR\n USE UTILIO_DEFN\n#ifdef parallel\n USE SE_MODULES ! stenex (using SE_COMM_MODULE, SE_UTIL_MODULE)\n#else\n USE NOOP_MODULES ! stenex (using NOOP_COMM_MODULE, NOOP_UTIL_MODULE)\n#endif\n\n#ifdef sens\n USE DDM3D_DEFN, ONLY:SENGRID, NPMAX, NP, BSEN\n#endif \n\n IMPLICIT NONE\n \nC Includes:\n\n INCLUDE SUBST_FILES_ID ! file name parameters\n INCLUDE SUBST_PE_COMM ! PE communication displacement and direction\n\nC Arguments:\n \n REAL, POINTER :: CGRID( :,:,:,: )\n INTEGER JDATE ! current model date, coded YYYYDDD\n INTEGER JTIME ! current model time, coded HHMMSS\n INTEGER TSTEP( 3 ) ! time step vector (HHMMSS)\n ! TSTEP(1) = local output step\n ! TSTEP(2) = sciproc sync. step (chem)\n ! TSTEP(3) = twoway model time step w.r.t. wrf time\n ! step and wrf/cmaq call frequency\n\n INTEGER ASTEP( : ) ! layer advection time step\n\nC External Functions: None\n \nC Parameters:\n\nC Advected species dimension\n\n INTEGER, SAVE :: N_SPC_ADV\n\nC File Variables:\n\n REAL, ALLOCATABLE, SAVE :: BCON( :,: ) ! boundary concentrations\n\nC Local Variables:\n\n\n INTEGER ALLOCSTAT\n\n CHARACTER( 16 ) :: PNAME = 'HADVPPM'\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n LOGICAL, ALLOCATABLE, SAVE :: XYFIRST( : )\n REAL, ALLOCATABLE, SAVE :: CGRID0( :,:,: ), XADV(:,:,:), YADV(:,:,:)\n\n\n CHARACTER( 96 ) :: XMSG = ' '\n CHARACTER( 199 ) :: XMSG2 = ' '\n\n INTEGER STEP ! ASTEP( L ), (dt) in sec\n INTEGER DSTEP ! dt accumulator\n INTEGER FDATE ! interpolation date\n INTEGER FTIME ! interpolation time\n INTEGER SYNCSTEP\n\n INTEGER LVL ! loop counters\n LOGICAL L_WRITE_WARNING\n\nC Required interface for allocatable array dummy arguments\n\n INTERFACE\n SUBROUTINE RDBCON ( FDATE, FTIME, TSTEP, LVL, BCON,\n & L_WRITE_WARNING )\n INTEGER, INTENT( IN ) :: FDATE, FTIME, TSTEP, LVL\n REAL, INTENT( OUT ) :: BCON( :,: )\n LOGICAL, INTENT( INOUT ) :: L_WRITE_WARNING\n END SUBROUTINE RDBCON\n SUBROUTINE X_PPM ( CGRID, FDATE, FTIME, TSTEP, LVL, BCON )\n REAL, POINTER :: CGRID( :,:,:,: )\n INTEGER, INTENT( IN ) :: FDATE, FTIME, TSTEP, LVL\n! REAL, INTENT( IN ) :: BCON( NBNDY,* )\n REAL, INTENT( IN ) :: BCON( :,: )\n END SUBROUTINE X_PPM\n SUBROUTINE Y_PPM ( CGRID, FDATE, FTIME, TSTEP, LVL, BCON )\n REAL, POINTER :: CGRID( :,:,:,: )\n INTEGER, INTENT( IN ) :: FDATE, FTIME, TSTEP, LVL\n! REAL, INTENT( IN ) :: BCON( NBNDY,: )\n REAL, INTENT( IN ) :: BCON( :,: )\n END SUBROUTINE Y_PPM\n! SUBROUTINE LCKSUMMER ( PNAME, CGRID, JDATE, JTIME, LVL )\n! CHARACTER( * ), INTENT( IN ) :: PNAME\n! REAL, POINTER :: CGRID( :,:,:,: )\n! INTEGER, INTENT( IN ) :: JDATE, JTIME, LVL\n! END SUBROUTINE LCKSUMMER\n END INTERFACE\nC-----------------------------------------------------------------------\n\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n\n ALLOCATE( XYFIRST( NLAYS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating XYFIRST'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n XYFIRST( : ) = .TRUE.\n\nC Get CGRID offsets\n\n N_SPC_ADV = N_GC_TRNS + N_AE_TRNS + N_NR_TRNS + N_TR_ADV + 1\n ! add 1 for advecting RHOJ\n ALLOCATE ( BCON( NBNDY,N_SPC_ADV ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating BCON'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n IF ( LIPR ) THEN\n ALLOCATE ( DELC_XADV( NCOLS,NROWS,NLAYS,NSPCSD ),\n & DELC_YADV( NCOLS,NROWS,NLAYS,NSPCSD ),\n & XADV( NCOLS,NROWS,NSPCSD ),\n & YADV( NCOLS,NROWS,NSPCSD ),\n & CGRID0( NCOLS,NROWS,NSPCSD ) )\n END IF\n\n#ifdef sens\n ALLOCATE ( BSEN( NBNDY,N_SPC_ADV,NPMAX ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating BSEN'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n#endif\n\n END IF ! if firstime\n\n SYNCSTEP = TIME2SEC( TSTEP( 2 ) )\n\n ! Initialize Budget Variables\n IF (LIPR) THEN\n DELC_XADV = 0.0\n DELC_YADV = 0.0\n END IF\n\n L_WRITE_WARNING = .TRUE.\n DO 301 LVL = 1, NLAYS\n\n STEP = TIME2SEC ( ASTEP( LVL ) )\n DSTEP = STEP\n FDATE = JDATE\n FTIME = JTIME\n\n IF ( LIPR ) THEN\n XADV = 0.0\n YADV = 0.0\n END IF\n\n101 CONTINUE\n\n CALL RDBCON ( FDATE, FTIME, ASTEP( LVL ), LVL, BCON, L_WRITE_WARNING )\n\n IF ( LIPR ) CGRID0( :,:,: ) = CGRID( :,:,LVL,: )\n\n IF ( XYFIRST( LVL ) ) THEN\n\n XYFIRST( LVL ) = .FALSE.\n\n CALL X_PPM ( CGRID, FDATE, FTIME, ASTEP( LVL ), LVL, BCON )\n! CALL LCKSUMMER ( 'X_PPM', CGRID, FDATE, FTIME, LVL )\n IF ( LIPR ) THEN\n XADV( :,:,: ) = XADV( :,:,: ) + CGRID( :,:,LVL,: ) - CGRID0( :,:,: )\n CGRID0( :,:,: ) = CGRID( :,:,LVL,: )\n END IF\n\n CALL Y_PPM ( CGRID, FDATE, FTIME, ASTEP( LVL ), LVL, BCON )\n! CALL LCKSUMMER ( 'Y_PPM', CGRID, FDATE, FTIME, LVL )\n IF ( LIPR ) THEN\n YADV( :,:,: ) = YADV( :,:,: ) + CGRID( :,:,LVL,: ) - CGRID0( :,:,: )\n CGRID0( :,:,: ) = CGRID( :,:,LVL,: )\n END IF\n\n ELSE\n\n XYFIRST( LVL ) = .TRUE.\n\n CALL Y_PPM ( CGRID, FDATE, FTIME, ASTEP( LVL ), LVL, BCON )\n! CALL LCKSUMMER ( 'Y_PPM', CGRID, FDATE, FTIME, LVL )\n IF ( LIPR ) THEN\n YADV( :,:,: ) = YADV( :,:,: ) + CGRID( :,:,LVL,: ) - CGRID0( :,:,: )\n CGRID0( :,:,: ) = CGRID( :,:,LVL,: )\n END IF\n\n CALL X_PPM ( CGRID, FDATE, FTIME, ASTEP( LVL ), LVL, BCON )\n! CALL LCKSUMMER ( 'X_PPM', CGRID, FDATE, FTIME, LVL )\n IF ( LIPR ) THEN\n XADV( :,:,: ) = XADV( :,:,: ) + CGRID( :,:,LVL,: ) - CGRID0( :,:,: )\n CGRID0( :,:,: ) = CGRID( :,:,LVL,: )\n END IF\n\n END IF\n\n DSTEP = DSTEP + STEP\n IF ( DSTEP .LE. SYNCSTEP ) THEN\n CALL NEXTIME( FDATE, FTIME, SEC2TIME( STEP ) )\n GO TO 101\n END IF\n\n IF (LIPR ) THEN\n DELC_XADV( :,:,LVL,: ) = DELC_XADV( :,:,LVL,: ) + XADV( :,:,: )\n DELC_YADV( :,:,LVL,: ) = DELC_YADV( :,:,LVL,: ) + YADV( :,:,: )\n END IF\n301 CONTINUE\n \n RETURN\n END\n" }, { "path": "CCTM/src/hadv/ppm/hcontvel.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE HCONTVEL ( JDATE, JTIME, TSTEP, LVL, UORV, WIND )\n \nC-----------------------------------------------------------------------\nC Function:\nC This subroutine reads physical velocities in the x1 or x2 directions\nC and returns the contravariant velocities.\n \nC Preconditions:\nC This routine can be used only for conformal map coordinates \nC in the horizontal.\nC Dates and times should be represented YYYYDDD:HHMMSS.\nC Must call for U-Winds first (UORV = UFLAG)\n \nC Subroutines and functions called:\nC INTERPX, INTERPB, M3EXIT, TIME2SEC, SEC2TIME, NEXTIME\n \nC Revision history:\nC January 30, 1996 by Clint L. Ingram at NCSC: created for\nC RADM-coordinates\n\nC 22 Apr 97 Jeff:\nC 7 Aug 97 Jeff: for NTHIK = 1\nC 4 Feb 98 Jeff: deal with end-of-scenario\nC 20 Sep 98 David Wong: parallelized the code\nC -- adjust the data declaration for DENSJ\nC -- remove indirect index reference, and re-adapt to\nC a general case\nC -- invoke stencil exchange library\nC 21 Nov 00 J.Young: PE_COMM3 -> Dave Wong's f90 stenex COMM\nC 30 Mar 01 J.Young: dyn alloc - Use HGRD_DEFN; replace INTERP3 with INTERPX\nC 6 Apr 01 J.Young: Eliminate NTHIN confusion (assumes NTHIK = 1)\nC 12 Apr 01 J.Young: Use PINTERPB for boundary data\nC 23 Jun 03 J.Young: for layer dependent advection tstep\nC 31 Jan 05 J.Young: dyn alloc - establish both horizontal & vertical\nC domain specifications in one module\nC 16 Feb 11 S.Roselle: replaced I/O API include files with UTILIO_DEFN;\nC removed deprecated TRIMLEN\nC 11 May 11 D.Wong: incorporated twoway model implementation\nC 28 Jul 11 David Wong: set REVERT to .false. for twoway model case since\nC buffered file has only two time steps data\nC 01 Feb 19 David Wong: Implemented centralized I/O approach, removed all MY_N\nC clauses\nC-----------------------------------------------------------------------\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE UTILIO_DEFN\n#ifdef parallel\n USE SE_MODULES ! stenex (using SE_COMM_MODULE)\n#else\n USE NOOP_MODULES ! stenex (using NOOP_COMM_MODULE)\n#endif\n use CENTRALIZED_IO_MODULE, only : interpolate_var, window\n\n IMPLICIT NONE\n\nC Includes:\n\n INCLUDE SUBST_FILES_ID ! file name parameters\n INCLUDE SUBST_PE_COMM ! PE communication displacement and direction\n \nC Arguments:\n \n INTEGER, INTENT( IN ) :: JDATE ! current model date, coded YYYYDDD\n INTEGER, INTENT( IN ) :: JTIME ! current model time, coded HHMMSS\n INTEGER, INTENT( IN ) :: TSTEP ! time step (HHMMSS)\n INTEGER, INTENT( IN ) :: LVL ! layer\n CHARACTER( 16 ), INTENT( IN ) :: UORV ! flag for velocity component\n! REAL WIND( NCOLS+1,NROWS+1 )\n REAL, INTENT( OUT ) :: WIND( :,: ) ! CX xi-velocity \n \nC Parameters:\n\n CHARACTER( 16 ), PARAMETER :: UFLAG = 'X1VEL'\n CHARACTER( 16 ), PARAMETER :: VFLAG = 'X2VEL'\n\nC file variables:\n \n! REAL DENSJ_BUF( NCOLS,NROWS,NLAYS ) ! Jacobian * air density\n REAL, ALLOCATABLE, SAVE :: DENSJ_BUF( :,:,: ) ! Jacobian * air density\n! REAL, ALLOCATABLE, SAVE :: DENSJ_BUF( :,: ) ! Jacobian * air density\n! REAL DENSJ_BND( NBNDY,NLAYS ) ! bndy Jacobian * air density\n REAL, ALLOCATABLE, SAVE :: DENSJ_BND( :,: ) ! bndy Jacobian * air density\n! REAL DENSJ( 0:NCOLS+1,0:NROWS+1,NLAYS )\n REAL, ALLOCATABLE, SAVE :: DENSJ( :,: ) ! Jacobian * air density\n\nC External Functions: None\n \nC local variables:\n \n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n \n INTEGER ROW ! Row index\n INTEGER COL ! Column index\n INTEGER MDATE ! mid-advection date\n INTEGER MTIME ! mid-advection time\n INTEGER, SAVE :: LDATE( 3 ) ! last date for data on file\n INTEGER, SAVE :: LTIME( 3 ) ! last time for data on file\n LOGICAL REVERT ! recover last time step if true\n INTEGER STEP ! advection time step in seconds\n REAL DJ ! temporary Jacobian * air density\n INTEGER ESTAT\n \n CHARACTER( 16 ) :: VNAME\n CHARACTER( 16 ) :: PNAME = 'HCONTVEL'\n CHARACTER( 16 ) :: AMSG\n CHARACTER( 14 ) :: MSG1 = 'Error reading '\n CHARACTER( 96 ) :: XMSG = ' '\n \n CHARACTER( 8 ), SAVE :: COMMSTR\n\n INTEGER COUNT ! Counter for constructing density array.\n\n LOGICAL, SAVE :: CSTAGUV = .TRUE. ! Winds are available on C staggered grid?\n\n integer, save :: old_time = -9\n\nC-----------------------------------------------------------------------\n\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n\n CALL LSTEPF( MET_CRO_3D, LDATE( 1 ), LTIME( 1 ) )\n! CALL LSTEPF( MET_BDY_3D, LDATE( 2 ), LTIME( 2 ) )\n CALL LSTEPF( MET_DOT_3D, LDATE( 3 ), LTIME( 3 ) )\n\n! LDATE( 1 ) = MIN( LDATE( 1 ), LDATE( 2 ), LDATE( 3 ) )\n! LTIME( 1 ) = SEC2TIME( MIN(\n! & TIME2SEC( LTIME( 1 ) ),\n! & TIME2SEC( LTIME( 2 ) ),\n! & TIME2SEC( LTIME( 3 ) )\n! & ) )\n\n LDATE( 1 ) = MIN( LDATE( 1 ), LDATE( 3 ) )\n LTIME( 1 ) = SEC2TIME( MIN(\n & TIME2SEC( LTIME( 1 ) ),\n & TIME2SEC( LTIME( 3 ) )\n & ) )\n\n WRITE( COMMSTR,'(4I2)' ) 1, 1-NTHIK, 2, 1-NTHIK ! ' 1 0 2 0'\n\n VNAME3D = ' ' ! array assignment\n IF ( .NOT. DESC3( MET_DOT_3D ) ) THEN\n XMSG = 'Could not get '\n & // TRIM( MET_DOT_3D ) // ' file description'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n VNAME = 'UWINDC'\n IF ( INDEX1( VNAME, NVARS3D, VNAME3D ) .LE. 0 ) THEN\n XMSG = 'Could not find ' // VNAME // ' in ' // MET_DOT_3D\n CALL M3WARN( PNAME, JDATE, JTIME, XMSG )\n CSTAGUV = .FALSE.\n END IF\n\n IF ( .NOT. CSTAGUV ) THEN\n\n ALLOCATE ( DENSJ( 0:NCOLS+1,0:NROWS+1 ), STAT = ESTAT )\n IF ( ESTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating DENSJ'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n IF ( .NOT. WINDOW ) THEN\n ALLOCATE ( DENSJ_BUF( ncols,nrows,NLAYS ),STAT = ESTAT )\n! ALLOCATE ( DENSJ_BUF( NCOLSDENS,NROWSDENS ), STAT = ESTAT )\n IF ( ESTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating DENSJ_BUF'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n ALLOCATE ( DENSJ_BND( NBNDY,NLAYS ), STAT = ESTAT )\n IF ( ESTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating DENSJ_BND'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END IF\n\n END IF\n\n END IF ! if firstime\n \n MDATE = JDATE\n MTIME = JTIME\n STEP = TIME2SEC( TSTEP )\n CALL NEXTIME( MDATE, MTIME, SEC2TIME( STEP / 2 ) )\n\n#ifdef twoway\n REVERT = .FALSE.\n#else\n IF ( MDATE .LT. LDATE( 1 ) ) THEN\n REVERT = .FALSE.\n ELSE IF ( MDATE .EQ. LDATE( 1 ) ) THEN\n IF ( MTIME .LE. LTIME( 1 ) ) THEN\n REVERT = .FALSE.\n ELSE\n REVERT = .TRUE.\n END IF\n ELSE ! MDATE .GT. LDATE\n REVERT = .TRUE.\n END IF\n#endif\n\n IF ( REVERT ) THEN\n XMSG = 'Current scenario interpolation step not available in all of '\n & // TRIM( MET_CRO_3D ) // ', '\n & // TRIM( MET_BDY_3D ) // ' and '\n & // TRIM( MET_DOT_3D )\n CALL M3MESG( XMSG )\n WRITE( AMSG,'( 2I8 )' ) LDATE( 1 ), LTIME( 1 )\n XMSG = 'Using data for last file step: ' // AMSG\n CALL M3MESG( XMSG )\n MDATE = LDATE( 1 )\n MTIME = LTIME( 1 )\n END IF\n\n IF ( LVL .GT. NLAYS ) THEN\n WRITE( XMSG,'( \"layer\", I4, \" greater than NLAYS\" )') LVL\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\nC Try to read u-component wind on C-staggered grid from variable UWINDC.\nC (First available in MCIPv3.5, Fall 2009.) If UWINDC is not in MET_DOT_3D,\nC try to read u-component wind on B-staggered grid as UWIND.\n\n IF ( UORV .EQ. UFLAG ) THEN\n\n IF ( CSTAGUV ) THEN\n call interpolate_var ('UWINDC', mdate, mtime, WIND, SLAY=LVL)\n\n RETURN\n END IF\n\n ELSE IF ( UORV .EQ. VFLAG ) THEN\n\nC If u-component wind was C-staggered, read v-component wind on C-staggered\nC grid. Otherwise, read v-component wind from B-staggered grid.\n\n IF ( CSTAGUV ) THEN\n call interpolate_var ('VWINDC', mdate, mtime, WIND, SLAY=LVL)\n\n RETURN\n END IF\n\n ELSE\n\n XMSG = 'UORV Flag, not set correctly'\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT2 )\n\n END IF ! if UORV\n\nC Interpolate Jacobian X Air Density\n \n VNAME = 'DENSA_J'\n IF ( WINDOW ) THEN\n\n call interpolate_var ('DENSA_J', mdate, mtime, DENSJ, slay=lvl)\n\n ELSE ! need to extend data from bndy file\n\n IF (old_time .ne. mtime) THEN\n call interpolate_var (VNAME, mdate, mtime, DENSJ_BUF)\n old_time = mtime\n\n call interpolate_var (VNAME, mdate, mtime, DENSJ_BND, 'b')\n END IF\n\nC Load DENSJ array\n\n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n DENSJ( COL,ROW ) = DENSJ_BUF( COL,ROW,LVL )\n END DO\n END DO\n\nC Fill in DENSJ array for boundaries\n\n COUNT = 0\n DO ROW = 0, 0\n DO COL = 1, NCOLS+1\n COUNT = COUNT + 1\n DENSJ( COL,ROW ) = DENSJ_BND( COUNT,LVL ) ! South\n END DO\n END DO\n DO ROW = 1, NROWS+1\n DO COL = NCOLS+1, NCOLS+1\n COUNT = COUNT + 1\n DENSJ( COL,ROW ) = DENSJ_BND( COUNT,LVL ) ! East\n END DO\n END DO\n DO ROW = NROWS+1, NROWS+1\n DO COL = 0, NCOLS\n COUNT = COUNT + 1\n DENSJ( COL,ROW ) = DENSJ_BND( COUNT,LVL ) ! North\n END DO\n END DO\n DO ROW = 0, NROWS\n DO COL = 0, 0\n COUNT = COUNT + 1\n DENSJ( COL,ROW ) = DENSJ_BND( COUNT,LVL ) ! West\n END DO\n END DO\n\n END IF ! WINDOW\n\nC Interpolate Contravariant Velocity components (already at flux points)\nC X Jacobian X Air Density\n\n IF ( UORV .EQ. UFLAG ) THEN\n\n call interpolate_var ('UHAT_JD', mdate, mtime, WIND, SLAY=LVL)\n\nC get west-direction RhoJ in halo cells and retrieve contravariant velocities\n\n CALL SUBST_COMM ( DENSJ, DSPL_N0_E0_S0_W1, DRCN_W, COMMSTR )\n DO ROW = 1, NROWS\n DO COL = 1, NCOLS+1\n DJ = 0.5 * ( DENSJ( COL,ROW) + DENSJ( COL-1,ROW ) )\n WIND( COL,ROW ) = WIND( COL,ROW ) / DJ\n END DO\n END DO\n\n ELSE\n\n call interpolate_var ('VHAT_JD', mdate, mtime, WIND, SLAY=LVL)\n\nC get south-direction RhoJ in halo cells and retrieve contravariant velocities\n\n CALL SUBST_COMM ( DENSJ, DSPL_N0_E0_S1_W0, DRCN_S, COMMSTR )\n DO ROW = 1, NROWS+1\n DO COL = 1, NCOLS\n DJ = 0.5 * ( DENSJ( COL,ROW ) + DENSJ( COL,ROW-1 ) )\n WIND( COL,ROW ) = WIND( COL,ROW ) / DJ\n END DO\n END DO\n\n END IF\n\n RETURN\n\n END\n" }, { "path": "CCTM/src/hadv/ppm/hppm.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE HPPM ( NI, NJ, CON, VEL, DT, DS, ORI,\n & F_LO_IN, F_LO_OUT, F_HI_IN, F_HI_OUT )\n \nC----------------------------------------------------------------------\nC Function \nC This is the one-dimensional implementation of piecewise parabolic\nC method. Variable grid spacing is allowed. The scheme is positive\nC definite and monotonic. It is conservative, and causes small\nC numerical diffusion.\n \nC A piecewise continuous parabola is used as the intepolation polynomial.\nC The slope of the parabola at cell edges are computed from a cumulative\nC function of the advected quantity. These slopes are further modified\nC so that the interpolation function is monotone. For more detailed\nC information see:\n \nC Colella, P., and P. L. Woodward, (1984), \"The Piecewise Parabolic\nC Method (PPM) for Gas-Dynamical Simulations,\" J. Comput. Phys. 54,\nC 174-201.\n \nC The concentrations at boundary cells (i.e., at 1 and NI) are not\nC computed here. They should be updated according to the boundary\nC conditions.\n \nC The following definitions are used:\n \nC |---------------> Positive direction\nC \nC -->|Boundary|<----------------Main Grid----------------->|Boundary|<--\nC \nC |<------>|<------>| ~|<------>|~ |<------>|<------>|\nC CON(0) CON(1) CON(i) CON(n) CON(n+1)\nC \nC VEL(1)-->| VEL(i)-->| |-->VEL(i+1) |-->VEL(n+1)\nC \nC FP(0)-->| FP(i-1)-->| |-->FP(i) |-->FP(n)\nC \nC FM(1)<--| FM(i)<--| |<--FM(i+1) |<--FM(n+1)\nC \nC -->| DS(i) |<--\n \nC----------------------------------------------------------------------\n \nC Revision History:\n \nC 20 April, 1993 by M. Talat Odman at NCSC: \nC Created based on Colella and Woodward (1984)\n \nC 15 Sept., 1993 by Daewon Byun at EPA:\nC Original code obtained from Phillip Colella at Berkeley\n \nC 29 Nov., 1993 by M. Talat Odman at NCSC:\nC Found no difference from original code\n \nC 05 Oct., 1993 by M. Talat Odman at NCSC:\nC Modified for EDSS archive, made discontinuity capturing an option\n\nC Sep 97 Jeff\nC Aug 98 - Jeff - optimize for mesh coefficients \n\nC David Wong - Sep. 1998\nC -- parallelized the code\nC -- Expanded the one-level nested loop which involves either with row or\nC column, into a three-level nested loop with layers and species.\nC Corresponding arrays' dimensions were adjusted accordingly\nC Jeff - optimize for mesh coefficients\nC\nC David Wong - 1/8/99\nC -- BARRIER is removed\nC\nC David Wong - 1/12/99\nC -- inside BNDY_HI_PE conditional code segment, NI is changed to MY_NI\nC\nC David Wong - 1/12/99\nC -- change se_loop_index argument list\nC -- add new subroutine call to determine lo and hi boundary processor\n\nC 22 Nov 00 J.Young: PE_COMM2E -> Dave Wong's f90 stenex COMM\nC PE_COMM3E -> Dave Wong's f90 stenex COMM\n\nC 23 Feb 01 J.Young: allocatable arrays ...\nC Since F90 does not preserve dummy argument array\nC indices, CONI( 1:NI+2,, ) is copied into local array\nC CON( 0:NI+1,, ).\nC The caller of HPPM dimensions the actual argument,\nC as CON( -NTHIK+1:MY_NCOLS+NTHIK,, ).\n\nC 3 Sep 01 David Wong\nC -- use \"dynamic\" data structure instead of F90 ALLOCATE statement to\nC avoid memory fragmentation which eventually leads to not enough\nC contigous memory (F90 bug?)\nC 24 Mar 04 G.Hammond: moved all mpi communication to caller\n\nC 06/16/04 by Peter Percell & Daewon Byun at UH-IMAQS: \nC - Fixed bug in using fluxes in non-uniform grids to update concentrations\n\nC 14 Feb 05 J.Young: fix DS dimension bug\nC 11 Oct 05 J.Young: re-dimension lattice arrays to one\nC 1 Nov 06 J.Young: Following Glenn Hammond, moved all communication\nC out of HPPM; using \"swap_sandia\" communication in caller; update only\nC local values in the CGRID array within a time step, discarding previous\nC ghost values.\nC 1 May 07 J.Young: Following Peter Percell, eliminate CONI,DSI using interface\nC specification in caller\nC 11 May 09 J.Young: Simplify - remove STEEPEN option (never used); assume constant\nC cell widths, DS( i )\nC 11 May 10 D.Wong: Change local dynamic arrays: make allocatable to enable proper\nC PGI compiliation; fix a max first dimension\nC 16 Feb 11 S.Roselle: replaced I/O API include files with UTILIO_DEFN\n\nC----------------------------------------------------------------------\n \n USE HGRD_DEFN\n USE UTILIO_DEFN\n USE PA_DEFN, ONLY : BUDGET_DIAG, BUDGET_HPPM\n#ifdef parallel\n USE SE_MODULES ! stenex (using SE_UTIL_MODULE)\n#else\n USE NOOP_MODULES ! stenex (using NOOP_UTIL_MODULE)\n#endif\n\n IMPLICIT NONE\n\nC Includes:\n \n! #ifdef parallel\n INTEGER, PARAMETER :: SWP = 3\n INTEGER, PARAMETER :: X1 = 1\n INTEGER, PARAMETER :: X2 = 2\n INTEGER, PARAMETER :: X3 = 3\n! #else\n! INTEGER, PARAMETER :: SWP = 1\n! INTEGER, PARAMETER :: X1 = 0\n! INTEGER, PARAMETER :: X2 = 0\n! INTEGER, PARAMETER :: X3 = 0\n! #endif\n\nC Arguments:\n \n INTEGER, INTENT( IN ) :: NI, NJ ! number of zones (cells)\n REAL, INTENT( INOUT ) :: CON( 1-SWP:,1: ) ! conc's in the zones (cells)\n REAL, INTENT( IN ) :: VEL( : ) ! velocities at zone (cell) boundaries\n REAL, INTENT( IN ) :: DT ! time step\n REAL, INTENT( IN ) :: DS ! distance between zone (cell) boundaries\n CHARACTER, INTENT( IN ) :: ORI ! orientation of advection ('C'-x or 'R'-y)\n\nC Parameters:\n \n REAL, PARAMETER :: TWO3RDS = 2.0 / 3.0\n REAL, PARAMETER :: SIXTH = 1.0 / 6.0\n\nC Local variables:\n\n CHARACTER, SAVE :: FIRSTORI = ' ' ! for test if Col or Row orientation change\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n \n INTEGER, SAVE :: NSPCS\n INTEGER, SAVE :: NSPCS_BUDGET = 0\n\n! REAL :: FM ( 1:NI+1, SIZE( CON,2 ) ) ! outflux from left or bottom of cell\n! REAL :: FP ( 0:NI, SIZE( CON,2 ) ) ! outflux from right or top of cell\n\n! REAL :: CM ( 1-X1:NI+X1+1,SIZE( CON,2 ) ) ! zone R.H. trial intercept\n! REAL :: CL ( 1-X1:NI+X1 ) ! zone L.H. intercept\n! REAL :: CR ( 1-X1:NI+X1 ) ! zone R.H. intercept\n! REAL :: DC ( 0-X1:NI+X1+1,SIZE( CON,2 ) ) ! CR - CL\n! REAL :: C6 ( 1-X1:NI+X1 ) ! coefficient of second-order term\n\n REAL, ALLOCATABLE, SAVE :: FM( :,: ) ! outflux from left or bottom of cell\n REAL, ALLOCATABLE, SAVE :: FP( :,: ) ! outflux from right or top of cell\n\n REAL, ALLOCATABLE, SAVE :: CM( :,: ) ! zone R.H. trial intercept\n REAL, ALLOCATABLE, SAVE :: CL( : ) ! zone L.H. intercept\n REAL, ALLOCATABLE, SAVE :: CR( : ) ! zone R.H. intercept\n REAL, ALLOCATABLE, SAVE :: DC( :,: ) ! CR - CL\n REAL, ALLOCATABLE, SAVE :: C6( : ) ! coefficient of second-order term\n REAL C0, C1\n\n ! Boundary fluxes returned for budget calculations\n ! Units of boundary fluxes are assumed to be \n ! density (aerosols) or mixing ratio (gases). These values\n ! are in 'coupled' space, meaning they need to be decoupled\n ! using the Jacobian and map scale factor in order to properly\n ! contribute to total mass calculations.\n REAL, INTENT( OUT) :: F_LO_IN( : ) ! influx to domain from left of row or bottom of column\n REAL, INTENT( OUT) :: F_LO_OUT(: ) ! outflux to domain from left of row or bottom of column\n REAL, INTENT( OUT) :: F_HI_IN( : ) ! influx to domain from right of row or bottom of top\n REAL, INTENT( OUT) :: F_HI_OUT(: ) ! outflux to domain from right of row or bottom of top\n\n LOGICAL, SAVE :: BNDY_LO_PE, BNDY_HI_PE\n\n CHARACTER( 96 ) :: XMSG = ' '\n CHARACTER( 16 ) :: PNAME = 'HPPM'\n\n REAL X, Y ! Courant number\n INTEGER NMX, ASTAT\n \n INTEGER I, S ! loop indices\n\nC----------------------------------------------------------------------\n\n#ifdef isam\n FIRSTIME = .TRUE.\n#else\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n#endif\n NMX = MAX( NI,NJ )\n NSPCS = SIZE ( CON,2 )\n ALLOCATE( FM( 1:NMX+1, NSPCS ),\n & FP( 0:NMX, NSPCS ),\n & CM( 1-X1:NMX+X1+1, NSPCS ),\n & CL( 1-X1:NMX+X1 ),\n & CR( 1-X1:NMX+X1 ),\n & DC( 0-X1:NMX+X1+1, NSPCS ),\n & C6( 1-X1:NMX+X1 ), \n & STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = '*** Error allocating FM, FP, CM, CL, CR, DC, or C6'\n CALL M3EXIT ( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n \n#ifdef isam\n#else\n END IF ! Firstime\n#endif\n\n IF ( ORI .NE. FIRSTORI ) THEN\n FIRSTORI = ORI\n CALL SUBST_HI_LO_BND_PE ( ORI, BNDY_LO_PE, BNDY_HI_PE )\n END IF ! FIRSTORI\n\nC Set all fluxes to zero. Either positive or negative flux will remain zero\nC depending on the sign of the velocity.\n\n FM( 1:NI+1,: ) = 0.0\n FP( 0:NI,: ) = 0.0\n\n! #ifndef parallel\nC If PE near bottom or left domain boundary...\nC Zeroth order polynomial at the boundary cells\nC First order polynomial at the next cells, no monotonicity constraint needed\n! IF ( BNDY_LO_PE ) THEN\n! DO S = 1, NSPCS\n! CM( 1,S ) = CON( 1,S )\n! CM( 2,S ) = 0.5 * ( CON( 1,S ) + CON( 2,S ) )\n! END DO\n! END IF\n\nC If PE near top or right domain boundary...\nC Zeroth order polynomial at the boundary cells\nC First order polynomial at the next cells, no monotonicity constraint needed\n! IF ( BNDY_HI_PE ) THEN\n! DO S = 1, NSPCS\n! CM( NI+1,S ) = CON( NI,S )\n! CM( NI,S ) = 0.5 * ( CON( NI,S ) + CON( NI-1,S ) )\n! END DO\n! END IF\n! #endif\n \nC Second order polynomial inside the domain\n \n DO S = 1, NSPCS\n DO I = 2 - X3, NI + X3 - 1\n \nC Compute average slope in the i'th zone\n \nC Equation (1.7)\n C0 = CON( I,S ) - CON( I-1,S )\n C1 = CON( I+1,S ) - CON( I,S )\n DC( I,S ) = 0.5 * ( C0 + C1 )\n \nC Guarantee that CM lies between CON(I) and CON(I+1) - monotonicity constraint\n\nC Equation (1.8)\n IF ( C0 * C1 .GT. 0.0 ) THEN\n DC( I,S ) = SIGN( 1.0, DC( I,S ) )\n & * MIN( ABS( DC( I,S ) ),\n & 2.0 * ABS( C0 ),\n & 2.0 * ABS( C1 ) )\n ELSE\n DC( I,S ) = 0.0\n END IF\n\n END DO ! I\n\nC Equation (1.6)\n DO I = 3 - X3, NI + X3 - 1\n CM( I,S ) = 0.5 * ( CON( I,S ) + CON( I-1,S ) )\n & - SIXTH * ( DC( I,S ) - DC( I-1,S ) )\n END DO\n\n END DO ! S\n\nC Generate piecewise parabolic distributions\n\n DO S = 1, NSPCS\n\n DO I = 1 - X1, NI + X1\n\nC Equation (1.15)\n CR( I ) = CM( I+1,S )\n CL( I ) = CM( I,S )\n \nC Monotonicity\n \n IF ( ( CR( I ) - CON( I,S ) )\n & * ( CON( I,S ) - CL( I ) ) .GT. 0.0 ) THEN\n\nC Temporary computation of DC and C6\n DC( I,S ) = CR( I ) - CL( I )\n C6( I ) = 6.0 * ( CON( I,S ) - 0.5 * ( CL( I ) + CR( I ) ) )\n\nC overshoot cases - Equation (1.10)\n IF ( DC( I,S ) * C6( I ) .GT.\n & DC( I,S ) * DC( I,S ) ) THEN\n CL( I ) = 3.0 * CON( I,S ) - 2.0 * CR( I )\n ELSE IF ( -DC( I,S ) * DC( I,S ) .GT.\n & DC( I,S ) * C6( I ) ) THEN\n CR( I ) = 3.0 * CON( I,S ) - 2.0 * CL( I )\n END IF\n\n ELSE ! Local extremum: Interpolation \n ! function is set to be a constant\n CL( I ) = CON( I,S )\n CR( I ) = CL( I )\n\n END IF\n\n DC( I,S ) = CR( I ) - CL( I ) ! Equation (1.5)\n C6( I ) = 6.0 * ( CON( I,S ) - 0.5 * ( CL( I ) + CR( I ) ) )\n\n END DO ! I\n\nC Compute fluxes from the parabolic distribution as in Equation (1.12)\n\n! #ifdef parallel\n! I = 0\n! IF ( VEL( I+1 ) .GT. 0.0 ) THEN\n! Y = VEL( I+1 ) * DT\n! X = Y / DS\n! FP( I,S ) = Y * ( CR( I ) - 0.5 * X * ( DC( I,S )\n! & - C6( I ) * ( 1.0 - TWO3RDS * X ) ) )\n! END IF\n! #endif\n \n! IF ( BNDY_LO_PE ) THEN\n I = 0\n IF ( VEL( I+1 ) .GT. 0.0 ) THEN\n Y = VEL( I+1 ) * DT\n X = Y / DS\n FP( I,S ) = Y * ( CR( I ) - 0.5 * X * ( DC( I,S )\n & - C6( I ) * ( 1.0 - TWO3RDS * X ) ) )\n END IF\n! END IF\n\n DO I = 1, NI\n\nC function for mass leaving interval I at lower face (I-1/2)\nC = length of segment leaving * integral average concentration in that segment\n IF ( VEL( I ) .LT. 0.0 ) THEN\n Y = -VEL( I ) * DT\n X = Y / DS\n FM( I,S ) = Y * ( CL( I ) + 0.5 * X * ( DC( I,S )\n & + C6( I ) * ( 1.0 - TWO3RDS * X ) ) )\n END IF\n\nC function for mass leaving interval I at upper face (I+1/2)\n IF ( VEL( I+1 ) .GT. 0.0 ) THEN\n Y = VEL( I+1 ) * DT\n X = Y / DS\n FP( I,S ) = Y * ( CR( I ) - 0.5 * X * ( DC( I,S )\n & - C6( I ) * ( 1.0 - TWO3RDS * X ) ) )\n END IF\n\n END DO ! I\n\n! #ifdef parallel\n! I = NI + 1\n! IF ( VEL( I ) .LT. 0.0 ) THEN\n! Y = -VEL( I ) * DT\n! X = Y / DS\n! FM( I,S ) = Y * ( CL( I ) + 0.5 * X * ( DC( I,S )\n! & + C6( I ) * ( 1.0 - TWO3RDS * X ) ) )\n! END IF\n! #endif\n! IF ( BNDY_HI_PE ) THEN\n I = NI + 1\n IF ( VEL( I ) .LT. 0.0 ) THEN\n Y = -VEL( I ) * DT\n X = Y / DS\n FM( I,S ) = Y * ( CL( I ) + 0.5 * X * ( DC( I,S )\n & + C6( I ) * ( 1.0 - TWO3RDS * X ) ) )\n END IF\n! END IF\n\n END DO ! S\n\nC Compute fluxes from boundary cells\n \nC If PE near top or left boundary...\n IF ( BNDY_LO_PE ) THEN\n IF ( VEL( 1 ) .GT. 0.0 ) THEN\n Y = VEL( 1 ) * DT\n DO S = 1, NSPCS\n FP( 0,S ) = Y * CON( 0,S )\n END DO\n END IF\n END IF\n\nC If PE near bottom or right boundary...\n IF ( BNDY_HI_PE ) THEN\n IF ( VEL( NI+1 ) .LT. 0.0 ) THEN\n Y = -VEL( NI+1 ) * DT\n DO S = 1, NSPCS\n FM( NI+1,S ) = Y * CON( NI+1,S )\n END DO\n END IF\n END IF\n\nC Update concentrations as in Equation (1.13)\n DO S = 1, NSPCS\n DO I = 1, NI\n CON( I,S ) = CON( I,S )\n & + ( FP( I-1,S ) - FP( I,S ) + FM( I+1,S ) - FM( I,S ) ) / DS\n END DO\n END DO\n\nC Store boundary fluxes in budget variables\nC Units: change in density (aerosols) or mixing ratio (gases)\n IF ( BUDGET_HPPM ) THEN\n NSPCS_BUDGET = MIN( NSPCS,SIZE( F_LO_IN ) )\n F_LO_IN ( 1:NSPCS_BUDGET ) = FP( 0,1:NSPCS_BUDGET ) / DS\n F_LO_OUT( 1:NSPCS_BUDGET ) = FM( 1,1:NSPCS_BUDGET ) / DS\n F_HI_OUT( 1:NSPCS_BUDGET ) = FP( NI,1:NSPCS_BUDGET ) / DS\n F_HI_IN ( 1:NSPCS_BUDGET ) = FM( NI+1,1:NSPCS_BUDGET ) / DS\n END IF\n\n#ifdef isam\nCkrt...deallocate local arrays....20140126\n IF ( ALLOCATED( FM ) ) DEALLOCATE( FM )\n\n IF ( ALLOCATED( FP ) ) DEALLOCATE( FP )\n\n IF ( ALLOCATED( CM ) ) DEALLOCATE( CM )\n\n IF ( ALLOCATED( CL ) ) DEALLOCATE( CL )\n\n IF ( ALLOCATED( CR ) ) DEALLOCATE( CR )\n\n IF ( ALLOCATED( DC ) ) DEALLOCATE( DC )\n\n IF ( ALLOCATED( C6 ) ) DEALLOCATE( C6 )\n#endif\n\n RETURN\n END\n" }, { "path": "CCTM/src/hadv/ppm/rdbcon.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE RDBCON ( JDATE, JTIME, TSTEP, LVL, BCON,\n & L_WRITE_WARNING )\n\nC-----------------------------------------------------------------------\nC Function:\nC Read boundary concentrations data for advection and couple with\nC SqRDMT, Where SqRDMT = Sq. Root [det ( metric tensor )]\nC = Vertical Jacobian / (map scale factor)**2\nC Load Air Density X SqRDMT = RHOJ into last BCON slot for advection\n\nC Preconditions:\n\nC Subroutines and Functions Called:\nC INTERPX, INTERPB, M3EXIT, TRIMLEN, ADVBC_MAP, TIME2SEC, SEC2TIME, NEXTIME\n\nC Revision History:\nC Jeff - Aug 1997 Based on beta version, keep in ppmV units (not aerosols)\nC Jeff - Dec 97 - add CMIN\nC Jeff - Apr 98 - fix conversion/coupling for aerosol number species\nC Jeff - Apr 01 - dyn alloc - Use PINTERB for boundary data - assume the met\nC data could come from a larger file, but not the conc cata\nC 23 Jun 03 J.Young: for layer dependent advection tstep\nC 31 Jan 05 J.Young: dyn alloc - establish both horizontal & vertical\nC domain specifications in one module\nC 21 Jun 10 J.Young: convert for Namelist redesign\nC 16 Feb 11 S.Roselle: replaced I/O API include files with UTILIO_DEFN;\nC removed deprecated TRIMLEN\nC 08 Jun 12 J.Young: remove full character blank padding for GNU Fortran (GCC) 4.1.2\nC 14 Sep 15 J.Young: change Fortran string comparison to logical from advbc_map\nC 01 Feb 19 D.Wong: Implemented centralized I/O approach, removed all MY_N\nC clauses\nC 11 Dec 19 S.L.Napelenok: ddm-3d implementation for version 5.3.1\n\nC-----------------------------------------------------------------------\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE CGRID_SPCS ! CGRID mechanism species\n USE UTILIO_DEFN\n USE AERO_DATA, only : CHECK_AERO_ICBC, N_MODE\n use CENTRALIZED_IO_MODULE, only : interpolate_var, window\n use RUNTIME_VARS, only : BC_AERO_M2WET, BC_AERO_M2USE\n#ifdef sens\n USE DDM3D_DEFN, ONLY:SENGRID, NPMAX, NP, BSEN, SEN_PAR, BCS\n#endif \n\n IMPLICIT NONE\n \nC Includes:\n INCLUDE SUBST_CONST ! constants\n INCLUDE SUBST_FILES_ID ! file name parameters\n\nC Arguments:\n INTEGER, INTENT( IN ) :: JDATE ! current model date, coded YYYYDDD\n INTEGER, INTENT( IN ) :: JTIME ! current model time, coded HHMMSS\n INTEGER, INTENT( IN ) :: TSTEP ! timestep\n INTEGER, INTENT( IN ) :: LVL ! layer\n REAL, INTENT( OUT ) :: BCON( :,: ) ! boundary concentrations\n LOGICAL, INTENT( INOUT ) :: L_WRITE_WARNING ! Write Aerosol BC Warning\n\nC Parameters:\n REAL, PARAMETER :: KGPMG = 1.0E-09 ! Kg / micro-gram\n REAL, PARAMETER :: CMIN = 1.0E-30\n\n CHARACTER( 16 ) :: CONCMIN\n\nC File variables:\n REAL, ALLOCATABLE, SAVE :: JACOBM_BND( :,: ) ! boundary Jacobian\n REAL, ALLOCATABLE, SAVE :: RHOJ_BND ( :,: ) ! mid-layer boundary RhoJ\n\n REAL, ALLOCATABLE, SAVE :: JACOBM_BUF( :,: ) ! grid Jacobian\n REAL, ALLOCATABLE, SAVE :: RHOJ_BUF ( :,: ) ! mid-layer grid RhoJ\n\n REAL, ALLOCATABLE, SAVE :: BBUF ( :,: ) ! bcon file buffer\n REAL, ALLOCATABLE, SAVE :: BBUF_TMP ( :,: ) ! bcon file buffer\n\nC External Functions: None\n\nC Local variables:\n CHARACTER( 16 ) :: PNAME = 'RDBCON'\n CHARACTER( 16 ) :: VNAME\n\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n\n CHARACTER( 16 ) :: BLNK = ' '\n CHARACTER( 16 ) :: BCNAME_TMP = ' '\n CHARACTER( 16 ), ALLOCATABLE, SAVE :: BCNAME( : ) ! BC name for adv species\n REAL, ALLOCATABLE, SAVE :: BCFAC( : ) ! Scale factor for BCs\n LOGICAL, ALLOCATABLE, SAVE :: ONFILE( : ) ! BC species on the file\n\n CHARACTER( 96 ) :: XMSG = ' '\n CHARACTER( 199 ) :: XMSG2 = ' '\n INTEGER :: STAT( N_MODE )\n\n INTEGER, SAVE :: N_SPC_ADV\n\n INTEGER MDATE ! mid-advection date\n INTEGER MTIME ! mid-advection time\n INTEGER STEP ! advection time step in seconds\n\n INTEGER BND, VAR, SPC ! loop counters\n INTEGER COL, ROW, IMODE ! loop counters\n INTEGER STRT, FINI, IAER, J\n INTEGER ALLOCSTAT\n\n INTEGER COUNT ! Counter for constructing boundary arrays\n\n#ifdef sens\n INTEGER SENNUM\n CHARACTER(16 ) :: SNAME ! Name of sens bc parameter\n CHARACTER( 16 ), ALLOCATABLE, SAVE :: S_BCNAME( :,: )\n#endif\n\n INTERFACE\n SUBROUTINE ADVBC_MAP( CONCMIN, BCNAME, BCFAC, ONFILE )\n CHARACTER( 16 ), INTENT( IN ) :: CONCMIN\n CHARACTER( 16 ), INTENT( OUT ) :: BCNAME( : )\n REAL, INTENT( OUT ) :: BCFAC ( : )\n LOGICAL, INTENT( OUT ) :: ONFILE( : )\n END SUBROUTINE ADVBC_MAP\n END INTERFACE\n\n#ifdef verbose_rdbcon\n real sumbc\n integer s\n#endif\nC-----------------------------------------------------------------------\n \n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n\n WRITE( CONCMIN,'(1PE9.2)' ) CMIN\n\n ALLOCATE ( BBUF( NBNDY,NLAYS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating BBUF'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n ALLOCATE ( BBUF_TMP( NBNDY,NLAYS ), STAT = ALLOCSTAT )\n\n N_SPC_ADV = N_GC_TRNS + N_AE_TRNS + N_NR_TRNS + N_TR_ADV + 1\n ! add 1 for advecting RHOJ\n\n\n ALLOCATE ( BCNAME( N_SPC_ADV ),\n & BCFAC ( N_SPC_ADV ),\n & ONFILE( N_SPC_ADV ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating BCNAME, BCFAC, or ONFILE'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\nC create advected species map to bc`s\n \n CALL ADVBC_MAP ( CONCMIN, BCNAME, BCFAC, ONFILE )\n\n ALLOCATE ( JACOBM_BND( NBNDY,NLAYS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating JACOBM_BND'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n ALLOCATE ( RHOJ_BND( NBNDY,NLAYS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating RHOJ_BND'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n IF ( WINDOW ) THEN\n\n ALLOCATE ( JACOBM_BUF( 0:NCOLS+1,0:NROWS+1 ),\n & STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating JACOBM_BUF'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n ALLOCATE ( RHOJ_BUF( 0:NCOLS+1,0:NROWS+1 ),\n & STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating RHOJ_BUF'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n END IF\n\n#ifdef sens\n ALLOCATE ( S_BCNAME( N_SPC_ADV,NPMAX ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating S_BCNAME'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n IF ( BCS ) THEN\n DO NP = 1, NPMAX\n FINI = N_GC_TRNS + N_AE_TRNS + N_NR_TRNS + N_TR_ADV\n DO VAR = 1, FINI\n S_BCNAME( VAR,NP ) = TRIM( BCNAME( VAR ) ) // '_' // SEN_PAR( NP )\n END DO\n END DO\n ENDIF\n#endif\n\n END IF ! if FIRSTIME\n\n MDATE = JDATE\n MTIME = JTIME\n STEP = TIME2SEC( TSTEP )\n CALL NEXTIME( MDATE, MTIME, SEC2TIME( STEP / 2 ) )\n\nC Read & interpolate boundary SqrDMT, and RhoJ\nC According to the METBDY3D File, variables have the following units:\nC JACOBM - Meters\nC DENSA_J - KG M-2\n\n IF ( WINDOW ) THEN\n\n RHOJ_BUF = 0.0\n call interpolate_var ('DENSA_J', mdate, mtime, RHOJ_BUF, slay=lvl)\n\n call interpolate_var ('JACOBM', mdate, mtime, JACOBM_BUF, slay=lvl)\n\nC Fill in DENSJ array for boundaries\n COUNT = 0\n DO ROW = 0, 0 ! South\n DO COL = 1, NCOLS+1\n COUNT = COUNT + 1\n JACOBM_BND( COUNT,LVL ) = JACOBM_BUF( COL,ROW )\n RHOJ_BND ( COUNT,LVL ) = RHOJ_BUF ( COL,ROW )\n END DO\n END DO\n DO ROW = 1, NROWS+1 ! East\n DO COL = NCOLS+1, NCOLS+1\n COUNT = COUNT + 1\n JACOBM_BND( COUNT,LVL ) = JACOBM_BUF( COL,ROW )\n RHOJ_BND ( COUNT,LVL ) = RHOJ_BUF ( COL,ROW )\n END DO\n END DO\n DO ROW = NROWS+1, NROWS+1 ! North\n DO COL = 0, NCOLS\n COUNT = COUNT + 1\n JACOBM_BND( COUNT,LVL ) = JACOBM_BUF( COL,ROW )\n RHOJ_BND ( COUNT,LVL ) = RHOJ_BUF ( COL,ROW )\n END DO\n END DO\n DO ROW = 0, NROWS ! West\n DO COL = 0, 0\n COUNT = COUNT + 1\n JACOBM_BND( COUNT,LVL ) = JACOBM_BUF( COL,ROW )\n RHOJ_BND ( COUNT,LVL ) = RHOJ_BUF ( COL,ROW )\n END DO\n END DO\n\n ELSE\n\n#ifdef parallel\n call interpolate_var ('JACOBM', mdate, mtime, JACOBM_BND, 'b', lvl)\n#else\n call interpolate_var ('JACOBM', mdate, mtime, JACOBM_BND, 'b')\n#endif\n\n#ifdef parallel\n call interpolate_var ('DENSA_J', mdate, mtime, RHOJ_BND, 'b', lvl)\n#else\n call interpolate_var ('DENSA_J', mdate, mtime, RHOJ_BND, 'b')\n#endif\n\n END IF ! WINDOW\n\n BCON = 0.0\n\nC Read & interpolate boundary concentrations\n ! Gas-Phase Species\n STRT = 1\n FINI = N_GC_TRNS\n DO 141 VAR = STRT, FINI\n IF ( ONFILE( VAR ) ) THEN\n BBUF = 0.0 ! array assignment\n#ifdef parallel\n call interpolate_var (BCNAME(VAR), mdate, mtime, BBUF, 'b', lvl)\n#else\n call interpolate_var (BCNAME(VAR), mdate, mtime, BBUF, 'b')\n#endif\n DO BND = 1, NBNDY\n BCON( BND,VAR ) = BCFAC( VAR ) * BBUF( BND,LVL )\n & * RHOJ_BND( BND,LVL )\n END DO\n ELSE\n DO BND = 1, NBNDY\n BCON( BND,VAR ) = CMIN\n END DO\n END IF\n141 CONTINUE\n\n#ifdef verbose_rdbcon\n if ( lvl .eq. 1 ) then\n write( logdev,'(/\"@@@b \", i8, i7.6)') jdate, jtime\n do var = strt, fini\n sumbc = 0.0\n do bnd = 1, nbndy\n sumbc = sumbc + bcon( bnd,var )\n end do\n write( logdev,'(\"@@@b \", a, g16.6)') bcname( var ), sumbc\n end do\n end if\n#endif\n\n ! Particle Species\n SPC = 0\n STRT = N_GC_TRNS + 1\n FINI = N_GC_TRNS + N_AE_TRNS\n DO 151 VAR = STRT, FINI\n SPC = SPC + 1\n IF ( ONFILE( VAR ) ) THEN\n BBUF = 0.0 ! array assignment\n#ifdef parallel\n call interpolate_var (BCNAME(VAR), mdate, mtime, BBUF, 'b', lvl)\n#else\n call interpolate_var (BCNAME(VAR), mdate, mtime, BBUF, 'b')\n#endif\n ! Add Non-Carbon Mass to Carbon Mass if the model is\n ! running semivolatile POA\n IF ( BCNAME( VAR )( 1:4 ) .EQ. 'APOC' .AND.\n & AE_TRNS( SPC )( 1:4 ) .NE. 'APOC' ) THEN \n BBUF_TMP = 0.0\n BCNAME_TMP = 'APNCOM' // BCNAME( VAR )( 5:5 )\n#ifdef parallel\n call interpolate_var (BCNAME_TMP, mdate, mtime, BBUF_TMP, 'b', lvl)\n#else\n call interpolate_var (BCNAME_TMP, mdate, mtime, BBUF_TMP, 'b')\n#endif\n BBUF = BBUF + BBUF_TMP\n END IF\n\n ! Units of JACOBM_BND are Meters, according to the input\n ! file. Units of BBUF are ug m-3 ( m2 m-3 for surface\n ! area and N m-3 for number).\n BCON( 1:NBNDY,VAR ) = BCFAC( VAR ) * BBUF( 1:NBNDY,LVL ) \n & * JACOBM_BND( 1:NBNDY,LVL )\n \n ! Found bc's (microgram/m**3, m**2/m**3, or number/m**3)\n ! Also Do a Mass conversion as long as this particle\n ! species is not Number or Surface Area.\n IF ( AE_TRNS( SPC )( 1:3 ) .NE. 'NUM' .AND.\n & AE_TRNS( SPC )( 1:3 ) .NE. 'SRF' ) THEN\n BCON( 1:NBNDY,VAR ) = BCON( 1:NBNDY,VAR ) * KGPMG\n END IF\n \n ELSE \n BCON( 1:NBNDY,VAR ) = CMIN\n END IF\n151 CONTINUE\n \n WHERE( BCON .NE. BCON ) BCON = 0.0\n\n !Check Aerosol Size Distributions and Warn \n !the User if They Are Not Robust.\n !This routine outputs aerosol surface area consistent with\n !the BC_AERO_M2WET specification.\n DO BND = 1,NBNDY\n CALL CHECK_AERO_ICBC( BCON( BND,STRT:FINI ), BC_AERO_M2WET,\n & BC_AERO_M2USE, .TRUE., \n & L_WRITE_WARNING,1,BND,LVL )\n END DO\n\n#ifdef verbose_rdbcon\n if ( lvl .eq. 1 ) then\n do var = strt, fini\n sumbc = 0.0\n do bnd = 1, nbndy\n sumbc = sumbc + bcon( bnd,var )\n end do\n write( logdev,'(\"@@@b \", a, g16.6)') bcname( var ), sumbc\n end do\n end if\n#endif\n\n ! Non-Reactive Species\n STRT = N_GC_TRNS + N_AE_TRNS + 1\n FINI = N_GC_TRNS + N_AE_TRNS + N_NR_TRNS\n DO 161 VAR = STRT, FINI\n IF ( ONFILE( VAR ) ) THEN\n BBUF = 0.0 ! array assignment\n#ifdef parallel\n call interpolate_var (BCNAME(VAR), mdate, mtime, BBUF, 'b', lvl)\n#else\n call interpolate_var (BCNAME(VAR), mdate, mtime, BBUF, 'b')\n#endif\n DO BND = 1, NBNDY\n BCON( BND,VAR ) = BCFAC( VAR ) * BBUF( BND,LVL )\n & * RHOJ_BND( BND,LVL )\n END DO\n ELSE\n DO BND = 1, NBNDY\n BCON( BND,VAR ) = CMIN\n END DO\n END IF\n161 CONTINUE\n\n#ifdef verbose_rdbcon\n if ( lvl .eq. 1 ) then\n do var = strt, fini\n sumbc = 0.0\n do bnd = 1, nbndy\n sumbc = sumbc + bcon( bnd,var )\n end do\n write( logdev,'(\"@@@b \", a, g16.6)') bcname( var ), sumbc\n end do\n end if\n#endif\n\n ! Tracer Species\n STRT = N_GC_TRNS + N_AE_TRNS + N_NR_TRNS + 1\n FINI = N_GC_TRNS + N_AE_TRNS + N_NR_TRNS + N_TR_ADV\n DO 171 VAR = STRT, FINI\n IF ( ONFILE( VAR ) ) THEN\n BBUF = 0.0 ! array assignment\n#ifdef parallel\n call interpolate_var (BCNAME(VAR), mdate, mtime, BBUF, 'b', lvl)\n#else\n call interpolate_var (BCNAME(VAR), mdate, mtime, BBUF, 'b')\n#endif\n DO BND = 1, NBNDY\n BCON( BND,VAR ) = BCFAC( VAR ) * BBUF( BND,LVL )\n & * RHOJ_BND( BND,LVL )\n END DO\n ELSE\n DO BND = 1, NBNDY\n BCON( BND,VAR ) = CMIN\n END DO\n END IF\n171 CONTINUE\n\n#ifdef verbose_rdbcon\n if ( lvl .eq. 1 ) then\n do var = strt, fini\n sumbc = 0.0\n do bnd = 1, nbndy\n sumbc = sumbc + bcon( bnd,var )\n end do\n write( logdev,'(\"@@@b \", a, g16.6)') bcname( var ), sumbc\n end do\n end if\n#endif\n\nC for advecting Air Density X Jacobian\n\n DO BND = 1, NBNDY\n BCON( BND,N_SPC_ADV ) = RHOJ_BND( BND,LVL )\n END DO\n\n#ifdef sens\nC Initialize BSEN as zero, if flag is set for using bc files, use those,\nC otherwise skip all of this.'\n\n BSEN = 0.0\n\nc IF ( BCS ) THEN\nc DO NP = 1, NPMAX\n\nc STRT = 1\nc FINI = N_GC_TRNS\nc DO 241 VAR = STRT, FINI\nc IF ( ONFILE( VAR ) ) THEN\nc BBUF = 0.0 ! array assignment\nc IF ( .NOT. INTERPB( BNDY_SENS_1, S_BCNAME( VAR,NP ), PNAME,\nc & MDATE, MTIME, NBNDY*NLAYS, BBUF ) ) THEN\nc XMSG = 'Could not read ' // TRIM( S_BCNAME( VAR,NP ) ) // ' from '\nc & // BNDY_SENS_1\nc CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\nc ELSE ! found bc's (PPM) on file; convert\nc DO BND = 1, NBNDY\nc BSEN( BND,VAR,NP ) = BCFAC( VAR ) * BBUF( BND,LVL )\nc & * RHOJ_BND( BND,LVL )\nc END DO\nc END IF\nc ELSE\nc DO BND = 1, NBNDY\nc BSEN( BND,VAR,NP ) = 0.0\nc END DO\nc END IF\nc241 CONTINUE\n\nc SPC = 0\nc STRT = N_GC_TRNS + 1\nc FINI = N_GC_TRNS + N_AE_TRNS\nc DO 251 VAR = STRT, FINI\nc SPC = SPC + 1\nc IF ( ONFILE( VAR ) ) THEN\nc BBUF = 0.0 ! array assignment\nc IF ( .NOT. INTERPB ( BNDY_SENS_1, S_BCNAME( VAR,NP ), PNAME,\nc & MDATE, MTIME, NBNDY*NLAYS, BBUF ) ) THEN\nc XMSG = 'Could not read ' // TRIM( S_BCNAME ( VAR,NP ) ) // ' from '\nc & // BNDY_SENS_1\nc CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\nc ELSE ! found bc's (microgram/m**3, m**2/m**3, or number/m**3)\nc ! on file; convert\nc IF ( AE_TRNS( SPC )( 1:3 ) .EQ. 'NUM' ) THEN\nc DO BND = 1, NBNDY\nc BSEN( BND,VAR,NP ) = BCFAC( VAR ) * BBUF( BND,LVL )\nc & * JACOBM_BND( BND,LVL )\nc END DO\nc ELSE IF ( AE_TRNS( SPC )( 1:3 ) .EQ. 'SRF' ) THEN\nc DO BND = 1, NBNDY\nc BSEN( BND,VAR,NP ) = BCFAC( VAR ) * BBUF( BND,LVL )\nc & * JACOBM_BND( BND,LVL )\nc END DO\nc ELSE\nc DO BND = 1, NBNDY\nc BSEN( BND,VAR,NP ) = BCFAC( VAR ) * BBUF( BND,LVL ) * KGPMG\nc & * JACOBM_BND( BND,LVL )\nc END DO\nc END IF\nc END IF\nc ELSE\nc DO BND = 1, NBNDY\nc BSEN( BND,VAR,NP ) = 0.0\nc END DO\nc END IF\nc251 CONTINUE\n\nc STRT = N_GC_TRNS + N_AE_TRNS + 1\nc FINI = N_GC_TRNS + N_AE_TRNS + N_NR_TRNS\nc DO 261 VAR = STRT, FINI\nc IF ( ONFILE( VAR ) ) THEN\nc BBUF = 0.0 ! array assignment\nc IF ( .NOT. INTERPB ( BNDY_SENS_1, S_BCNAME( VAR,NP ), PNAME,\nc & MDATE, MTIME, NBNDY*NLAYS, BBUF ) ) THEN\nc XMSG = 'Could not read ' // TRIM( S_BCNAME( VAR,NP ) ) // ' from '\nc & // BNDY_SENS_1\nc CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\nc ELSE ! found bc's (PPM) on file; convert\nc DO BND = 1, NBNDY\nc BSEN( BND,VAR,NP ) = BCFAC( VAR ) * BBUF( BND,LVL )\nc & * RHOJ_BND( BND,LVL )\nc END DO\nc END IF\nc ELSE\nc DO BND = 1, NBNDY\nc BSEN( BND,VAR,NP ) = 0.0\nc END DO\nc END IF\nc261 CONTINUE\n\nc STRT = N_GC_TRNS + N_AE_TRNS + N_NR_TRNS + 1\nc FINI = N_GC_TRNS + N_AE_TRNS + N_NR_TRNS + N_TR_ADV\nc DO 271 VAR = STRT, FINI\nc IF ( ONFILE( VAR ) ) THEN\nc BBUF = 0.0 ! array assignment\nc IF ( .NOT. INTERPB ( BNDY_SENS_1, S_BCNAME( VAR,NP ), PNAME,\nc & MDATE, MTIME, NBNDY*NLAYS, BBUF ) ) THEN\nc XMSG = 'Could not read ' // TRIM( S_BCNAME( VAR,NP ) ) // ' from '\nc & // BNDY_SENS_1\nc CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\nc ELSE ! found bc's (PPM) on file; convert\nc DO BND = 1, NBNDY\nc BSEN( BND,VAR,NP ) = BCFAC( VAR ) * BBUF( BND,LVL )\nc & * RHOJ_BND( BND,LVL )\nc END DO\nc END IF\nc ELSE\nc DO BND = 1, NBNDY\nc BSEN( BND,VAR,NP ) = 0.0\nc END DO\nc END IF\nc271 CONTINUE\n\nc DO BND = 1, NBNDY\nc BSEN( BND,N_SPC_ADV,NP ) = 0.0\nc END DO\n\nc END DO\nc ENDIF\n#endif\n\n RETURN\n END\n" }, { "path": "CCTM/src/hadv/ppm/x_ppm.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE X_PPM ( CGRID, FDATE, FTIME, TSTEP, LVL, BCON )\n\nC-----------------------------------------------------------------------\nC Function:\nC Piecewise Parabolic Method advection in the X-direction\n\nC Preconditions:\n\nC Subroutines and functions called:\n\nC Revision history:\nC 28 Jun 2004: Jeff Young\n\nC 1 Nov 06: Jeff Young - Following Glenn Hammond, moved all communication\nC out of HPPM to this level; using \"swap_sandia\" communication; update only\nC local values in the CGRID array within a time step, discarding previous\nC ghost values.\nC 11 May 2009: Jeff Young: Simplify - assume constant cell widths, DS( i )\nC 11 May 2010: Jeff Young: New hppm fix for PGI compiler by David Wong\nC 21 Jun 2010: Jeff Young: convert for Namelist redesign\nC 16 Feb 2011: Shawn Roselle: replaced I/O API include files with UTILIO_DEFN\nC 19 Oct 2015: Jeff Young: Remove stmnt func to resolve PGI compiler error\nC 29 Nov 17 David Wong: removed all SWAP routines and replaced with SE_COMM\nC 16 NOv 2018 S.Napelenok: ISAM implementation\nC 1 Feb 19 David Wong: removed all MY_N clauses\nC 11 Dec 19 S.L.Napelenok: ddm-3d implementation for version 5.3.1\nC-----------------------------------------------------------------------\n\n USE HGRD_DEFN ! horizontal domain specifications\n USE GRID_CONF, ONLY: NLAYS\n USE CGRID_SPCS ! CGRID mechanism species\n USE UTILIO_DEFN\n USE PA_DEFN, ONLY : BUDGET_DIAG, BUDGET_HPPM\n USE XY_BUDGET, ONLY : F_WEST_IN, F_WEST_OUT, F_EAST_IN, F_EAST_OUT\n use CENTRALIZED_IO_MODULE, only : interpolate_var, MSFX2\n\n#ifdef parallel\n USE SE_MODULES ! stenex (using SE_COMM_MODULE, SE_UTIL_MODULE)\n#else\n USE NOOP_MODULES ! stenex (using NOOP_COMM_MODULE, NOOP_UTIL_MODULE)\n#endif\n\n#ifdef isam\n USE SA_DEFN, Only: ISAM, N_SPCTAG, S_SPCTAG, T_SPCTAG, \n & TRANSPORT_SPC, BCON_SPC, MAP_ADVtoSA\n#endif\n\n#ifdef sens\n USE DDM3D_DEFN, ONLY:SENGRID, NPMAX, NP, BSEN, BCS, DATENUM, IPT, IDATE, IPARM, IREGION, CKTIME, STARTDATE\n#endif \n\n IMPLICIT NONE\n\nC Includes:\n\n INCLUDE SUBST_CONST ! constants\n INCLUDE SUBST_PE_COMM ! PE communication displacement and direction\n\nC Arguments:\n\n REAL, POINTER :: CGRID( :,:,:,: )\n INTEGER, INTENT( IN ) :: FDATE ! current model date, coded YYYYDDD\n INTEGER, INTENT( IN ) :: FTIME ! current model time, coded HHMMSS\n INTEGER, INTENT( IN ) :: TSTEP ! time step (HHMMSS)\n INTEGER, INTENT( IN ) :: LVL ! layer\n REAL, INTENT( IN ) :: BCON( :,: ) ! boundary concentrations\n\nC External Functions not declared in IODECL3.EXT:\n\n REAL, EXTERNAL :: ZFDBC\n\nC Parameters:\n\nC Advected species dimension\n\n INTEGER, SAVE :: N_SPC_ADV\n\n! #ifdef parallel\n INTEGER, PARAMETER :: SWP = 3\n! #else\n! INTEGER, PARAMETER :: SWP = 1\n! #endif\n\nC File Variables:\n\n REAL UHAT( NCOLS+1,NROWS+1 ) ! x1-component CX-velocity\n\nC Local Variables:\n\n CHARACTER( 16 ) :: PNAME = 'X_PPM'\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n CHARACTER( 96 ) :: XMSG = ' '\n\n REAL, SAVE :: DX1, DX2, AX ! dx1 (meters), dx2(m), ax(m2)\n\n REAL, ALLOCATABLE, SAVE :: VELX( : ), ! Velocities along a row\n & CONX( :,: ) ! Conc's along a row\n\n#ifdef isam\n REAL, ALLOCATABLE, SAVE :: SA_CONX( :,: )\n#endif\n\n REAL DT ! TSTEP in sec\n INTEGER ALLOCSTAT\n\n INTEGER, ALLOCATABLE, SAVE :: ADV_MAP( : ) ! global adv map to CGRID\n\n CHARACTER( 16 ) :: X1VEL = 'X1VEL'\n\n INTEGER COL, ROW, SPC, VAR, I ! loop counters\n INTEGER A2C\n\n REAL :: JACOBM( NCOLS,NROWS,NLAYS ) !\"total\" Jacobian\n REAL :: ZF( NCOLS,NROWS,NLAYS ) !Grid cell height\n REAL, PARAMETER :: MWAIR_SI = 0.02897 ! kg mol-1\n REAL :: VOL, VOL2 ! Grid Volume\n\n LOGICAL, SAVE :: BNDY_PE_LOX, BNDY_PE_HIX\n REAL, ALLOCATABLE, SAVE :: F_LO_IN( : )\n REAL, ALLOCATABLE, SAVE :: F_LO_OUT( : )\n REAL, ALLOCATABLE, SAVE :: F_HI_IN( : )\n REAL, ALLOCATABLE, SAVE :: F_HI_OUT( : )\n\n#ifdef parallel\n INTEGER EAST_COL\n REAL, ALLOCATABLE, SAVE :: HALO_EAST( :,:,: )\n REAL, ALLOCATABLE, SAVE :: HALO_WEST( :,:,: )\n REAL, ALLOCATABLE, SAVE :: BUF_EW( :,:,: )\n\n#ifdef isam\n REAL, ALLOCATABLE, SAVE :: SA_HALO_EAST( :,:,: )\n REAL, ALLOCATABLE, SAVE :: SA_HALO_WEST( :,:,: )\n REAL, ALLOCATABLE, SAVE :: SA_BUF_EW( :,:,: )\n REAL, ALLOCATABLE, SAVE :: SA_F_LO_IN( : )\n REAL, ALLOCATABLE, SAVE :: SA_F_LO_OUT( : )\n REAL, ALLOCATABLE, SAVE :: SA_F_HI_IN( : )\n REAL, ALLOCATABLE, SAVE :: SA_F_HI_OUT( : )\n#endif\n\n#endif\n\n INTEGER, SAVE :: EFX ! fixed parameter for eastern boundary\n INTEGER, SAVE :: WFX ! fixed parameter for western boundary\n\n#ifdef sens\n LOGICAL TIMEFLAG ! checks if within desired time\n REAL, ALLOCATABLE, SAVE :: SENX( :,: ) ! Sens along a row\n REAL, EXTERNAL :: S_ZFDBC ! similar to zfdbc, for sens\n#ifdef parallel\n REAL, ALLOCATABLE, SAVE :: S_HALO_EAST( :,:,:,: )\n REAL, ALLOCATABLE, SAVE :: S_HALO_WEST( :,:,:,: )\n REAL, ALLOCATABLE, SAVE :: S_BUF_EW( :,:,:,: )\n#endif\n#endif\n\nC Required interface for allocatable array dummy arguments\n\n INTERFACE\n SUBROUTINE HCONTVEL( FDATE, FTIME, TSTEP, LVL, UORV, UHAT )\n INTEGER, INTENT( IN ) :: FDATE, FTIME, TSTEP, LVL\n CHARACTER( 16 ), INTENT( IN ) :: UORV\n REAL, INTENT( OUT ) :: UHAT( :,: )\n END SUBROUTINE HCONTVEL\n SUBROUTINE HPPM ( NI, NJ, CON, VEL, DT, DS, ORI,\n & F_LO_IN, F_LO_OUT, F_HI_IN, F_HI_OUT )\n! #ifdef parallel\n INTEGER, PARAMETER :: SWP = 3\n! #else\n! INTEGER, PARAMETER :: SWP = 1\n! #endif\n INTEGER, INTENT( IN ) :: NI, NJ\n REAL, INTENT( INOUT ) :: CON( 1-SWP:,1: )\n REAL, INTENT( IN ) :: VEL( : )\n REAL, INTENT( IN ) :: DT\n REAL, INTENT( IN ) :: DS\n CHARACTER, INTENT( IN ) :: ORI\n REAL , INTENT( OUT) :: F_LO_IN( : )\n REAL , INTENT( OUT) :: F_LO_OUT( : )\n REAL , INTENT( OUT) :: F_HI_IN( : )\n REAL , INTENT( OUT) :: F_HI_OUT( : )\n END SUBROUTINE HPPM\n END INTERFACE\nC-----------------------------------------------------------------------\n\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n\n EFX = NCOLS + 1\n WFX = 2 * NCOLS + NROWS + 4\n\nC Get dx1 from HGRD_DEFN module\n\n IF ( GDTYP_GD .EQ. LATGRD3 ) THEN\n DX1 = DG2M * XCELL_GD\n & * COS( PI180*( YORIG_GD + YCELL_GD*FLOAT( GL_NROWS/2 ))) ! in m.\n DX2 = DG2M * YCELL_GD\n ELSE\n DX1 = XCELL_GD ! in m.\n DX2 = YCELL_GD ! in m.\n END IF\n AX = DX1 * DX2 ! in m2\n\n N_SPC_ADV = N_GC_TRNS + N_AE_TRNS + N_NR_TRNS + N_TR_ADV + 1\n ! add 1 for advecting RHOJ\n\n ALLOCATE ( CONX( 1-SWP:NCOLS+SWP,N_SPC_ADV ),\n#ifdef isam\n & SA_CONX( 1-SWP:NCOLS+SWP,N_SPCTAG ), ! 20120816\n#endif\n & VELX( NCOLS+1 ), STAT = ALLOCSTAT ) ! Vel along a row\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating VELX, or CONX'\n CALL M3EXIT ( PNAME, FDATE, FTIME, XMSG, XSTAT1 )\n END IF\n#ifdef isam\n SA_CONX = 0.0\n#endif\n ALLOCATE ( ADV_MAP( N_SPC_ADV ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating ADV_MAP'\n CALL M3EXIT ( PNAME, FDATE, FTIME, XMSG, XSTAT1 )\n END IF\n\n#ifdef parallel\n ALLOCATE ( HALO_EAST( SWP,NROWS,N_SPC_ADV ),\n & HALO_WEST( SWP,NROWS,N_SPC_ADV ),\n & BUF_EW ( SWP,NROWS,N_SPC_ADV ),\n#ifdef isam\n & SA_HALO_EAST( SWP,NROWS,N_SPCTAG ),\n & SA_HALO_WEST( SWP,NROWS,N_SPCTAG ),\n & SA_BUF_EW ( SWP,NROWS,N_SPCTAG ),\n#endif\n & STAT = ALLOCSTAT )\n\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating HALO_EAST, HALO_WEST, or BUF_EW'\n CALL M3EXIT ( PNAME, FDATE, FTIME, XMSG, XSTAT1 )\n END IF\n HALO_EAST = 0.0 ! array\n HALO_WEST = 0.0 ! array\n BUF_EW = 0.0 ! array\n\n#ifdef isam\n SA_HALO_EAST = 0.0 ! KRT array\n SA_HALO_WEST = 0.0 ! KRT array\n SA_BUF_EW = 0.0 ! KRT array\n#endif\n\n#endif\n\n#ifdef sens\n ALLOCATE ( SENX( 1-SWP:NCOLS+SWP,N_SPC_ADV ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating SENX'\n CALL M3EXIT ( PNAME, FDATE, FTIME, XMSG, XSTAT1 )\n END IF\n#ifdef parallel\n ALLOCATE ( S_HALO_EAST( SWP,NROWS,N_SPC_ADV,NPMAX ),\n & S_HALO_WEST( SWP,NROWS,N_SPC_ADV,NPMAX ),\n & S_BUF_EW ( SWP,NROWS,N_SPC_ADV,NPMAX ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG =\n & 'Failure allocating S_HALO_EAST, S_HALO_WEST, or S_BUF_EW'\n CALL M3EXIT ( PNAME, FDATE, FTIME, XMSG, XSTAT1 )\n END IF\n S_HALO_EAST = 0.0 ! array\n S_HALO_WEST = 0.0 ! array\n S_BUF_EW = 0.0 ! array\n#endif\n#endif\n\nC Create global map to CGRID\n\n SPC = 0\n DO VAR = 1, N_GC_TRNS\n SPC = SPC + 1\n ADV_MAP( SPC ) = GC_STRT - 1 + GC_TRNS_MAP( VAR )\n END DO\n DO VAR = 1, N_AE_TRNS\n SPC = SPC + 1\n ADV_MAP( SPC ) = AE_STRT - 1 + AE_TRNS_MAP( VAR )\n END DO\n DO VAR = 1, N_NR_TRNS\n SPC = SPC + 1\n ADV_MAP( SPC ) = NR_STRT - 1 + NR_TRNS_MAP( VAR )\n END DO\n DO VAR = 1, N_TR_ADV\n SPC = SPC + 1\n ADV_MAP( SPC ) = TR_STRT - 1 + TR_ADV_MAP( VAR )\n END DO\n\n ADV_MAP( N_SPC_ADV ) = RHOJ_LOC\n\n CALL SUBST_HI_LO_BND_PE ( 'C', BNDY_PE_LOX, BNDY_PE_HIX )\n\n ! Allocate FLuxes for Budget Tool\n ALLOCATE( F_LO_IN(N_SPC_ADV),\n & F_LO_OUT(N_SPC_ADV),\n & F_HI_IN(N_SPC_ADV),\n & F_HI_OUT(N_SPC_ADV) )\n\n#ifdef isam\n ALLOCATE( SA_F_LO_IN(N_SPCTAG),\n & SA_F_LO_OUT(N_SPCTAG),\n & SA_F_HI_IN(N_SPCTAG),\n & SA_F_HI_OUT(N_SPCTAG) )\n#endif\n\n END IF ! if firstime\n\n DT = FLOAT ( TIME2SEC ( TSTEP ) )\n\n#ifdef sens\n ! index that will be used by IDATE\n DATENUM = 1 + FDATE - STARTDATE\n#endif\n\nC Do the computation for x advection\n\nC Get the contravariant x1 velocity component\n\n CALL HCONTVEL ( FDATE, FTIME, TSTEP, LVL, X1VEL, UHAT )\n\n CALL SUBST_COMM (UHAT, DSPL_N0_E1_S0_W0, DRCN_E)\n\n#ifdef parallel\n EAST_COL = NCOLS - SWP\n DO SPC = 1, N_SPC_ADV\n A2C = ADV_MAP( SPC )\n DO ROW = 1, NROWS\n DO COL = 1, SWP\n HALO_WEST( COL,ROW,SPC ) = CGRID( COL,ROW,LVL,A2C )\n HALO_EAST( COL,ROW,SPC ) = CGRID( EAST_COL+COL,ROW,LVL,A2C )\n BUF_EW( COL,ROW,SPC ) = HALO_EAST( COL,ROW,SPC )\n#ifdef sens\n DO NP = 1, NPMAX\n S_HALO_WEST( COL,ROW,SPC,NP ) = SENGRID( COL,ROW,LVL,NP,A2C )\n S_HALO_EAST( COL,ROW,SPC,NP ) = SENGRID( EAST_COL+COL,ROW,LVL,NP,A2C )\n S_BUF_EW( COL,ROW,SPC,NP ) = S_HALO_EAST( COL,ROW,SPC,NP )\n END DO\n#endif\n END DO\n END DO\n END DO\n\n CALL SUBST_COMM (HALO_WEST, HALO_EAST, DSPL_N0_E1_S0_W0, DRCN_E)\n CALL SUBST_COMM (BUF_EW, HALO_WEST, DSPL_N0_E0_S0_W1, DRCN_W)\n\n#ifdef sens\n DO NP = 1, NPMAX\n CALL SUBST_COMM( S_HALO_WEST(:,:,:,NP), S_HALO_EAST(:,:,:,NP), \n & DSPL_N0_E1_S0_W0, DRCN_E )\n CALL SUBST_COMM( S_BUF_EW(:,:,:,NP), S_HALO_WEST(:,:,:,NP), \n & DSPL_N0_E0_S0_W1, DRCN_W )\n END DO\n#endif\n\n#ifdef isam\n DO SPC = 1, N_SPCTAG\n IF( TRANSPORT_SPC( SPC ) )THEN\n DO ROW = 1, NROWS\n DO COL = 1, SWP\n SA_HALO_WEST( COL,ROW,SPC ) =\n & ISAM( COL,ROW,LVL,S_SPCTAG( SPC ),T_SPCTAG ( SPC ) )\n SA_HALO_EAST( COL,ROW,SPC ) =\n & ISAM( EAST_COL+COL,ROW,LVL,S_SPCTAG( SPC ),T_SPCTAG( SPC ) )\n SA_BUF_EW( COL,ROW,SPC ) = SA_HALO_EAST( COL,ROW,SPC )\n END DO\n END DO\n END IF\n END DO\n\n CALL SUBST_COMM (SA_HALO_WEST, SA_HALO_EAST, DSPL_N0_E1_S0_W0, DRCN_E)\n CALL SUBST_COMM (SA_BUF_EW, SA_HALO_WEST, DSPL_N0_E0_S0_W1, DRCN_W)\n#endif\n\n#endif\n\n DO 233 ROW = 1, NROWS\n\n DO COL = 1, NCOLS+1\n VELX( COL ) = UHAT( COL,ROW )\n END DO\n\n DO SPC = 1, N_SPC_ADV\n\n A2C = ADV_MAP( SPC )\n DO COL = 1, NCOLS\n CONX( COL,SPC ) = CGRID( COL,ROW,LVL,A2C )\n END DO\n\n#ifdef parallel\n DO COL = 1, SWP\n CONX( COL-SWP,SPC ) = HALO_WEST( COL,ROW,SPC )\n CONX( NCOLS+COL,SPC ) = HALO_EAST( COL,ROW,SPC )\n END DO\n#endif\n\nC West boundary\n\n IF ( BNDY_PE_LOX ) THEN\n IF ( VELX( 1 ) .LT. 0.0 ) THEN ! outflow\n CONX( 1-SWP:0,SPC ) =\n & ZFDBC ( CONX( 1,SPC ), CONX( 2,SPC ),\n & VELX( 1 ), VELX( 2 ) )\n ELSE ! inflow\n CONX( 1-SWP:0,SPC ) = BCON( WFX+ROW,SPC )\n END IF\n END IF\n\nC East boundary\n\n IF ( BNDY_PE_HIX ) THEN\n IF ( VELX( NCOLS+1 ) .GT. 0.0 ) THEN ! outflow\n CONX( NCOLS+1:NCOLS+SWP,SPC ) =\n & ZFDBC ( CONX( NCOLS,SPC ), CONX( NCOLS-1,SPC ),\n & VELX( NCOLS+1 ), VELX( NCOLS ) )\n ELSE ! inflow\n CONX( NCOLS+1:NCOLS+SWP,SPC ) = BCON( EFX+ROW,SPC )\n END IF\n END IF\n\n END DO\n\n#ifdef isam\n DO SPC = 1, N_SPCTAG\n \n IF( TRANSPORT_SPC( SPC ) )THEN\n\n DO COL = 1, NCOLS\n SA_CONX( COL, SPC ) = ISAM( COL,ROW,LVL,S_SPCTAG( SPC ),T_SPCTAG( SPC ) )\n END DO\n \n#ifdef parallel\n DO COL = 1, SWP\n SA_CONX( COL-SWP,SPC ) = SA_HALO_WEST( COL,ROW,SPC )\n SA_CONX( NCOLS+COL,SPC ) = SA_HALO_EAST( COL,ROW,SPC )\n END DO\n#endif\n\nC West boundary\n IF ( BNDY_PE_LOX ) THEN\n IF ( VELX( 1 ) .LT. 0.0 ) THEN ! outflow\n SA_CONX( 1-SWP:0,SPC ) =\n & ZFDBC( SA_CONX( 1,SPC ), SA_CONX( 2,SPC ), VELX( 1 ), VELX( 2 ) )\n ELSE ! inflow\n IF ( BCON_SPC( SPC ) ) THEN\n SA_CONX( 1-SWP:0,SPC ) = BCON( WFX+ROW,MAP_ADVtoSA( SPC ) )\n ELSE ! non-bcon tags ?\n SA_CONX( 1-SWP:0,SPC ) = 0.0\n END IF \n END IF ! velx < 0 ?\n END IF ! bndy_pe_lox ?\n\nC East boundary\n IF ( BNDY_PE_HIX ) THEN\n IF ( VELX( NCOLS+1 ) .GT. 0.0 ) THEN ! outflow\n SA_CONX( NCOLS+1:NCOLS+SWP,SPC ) =\n & ZFDBC ( SA_CONX( NCOLS,SPC ), SA_CONX( NCOLS-1,SPC ),\n & VELX( NCOLS+1 ), VELX( NCOLS ) )\n ELSE ! inflow\n IF ( BCON_SPC( SPC ) ) THEN\n SA_CONX( NCOLS+1:NCOLS+SWP,SPC ) = BCON( EFX+ROW, MAP_ADVtoSA( SPC ) )\n ELSE ! non-bcon tags ?\n SA_CONX( NCOLS+1:NCOLS+SWP,SPC ) = 0.0\n END IF \n END IF ! velx > 0 ?\n END IF ! bndy_pe_hix ?\n \n END IF\n END DO ! SPC loop\n#endif\n\nC PPM scheme\n F_LO_IN = 0.\n F_LO_OUT= 0.\n F_HI_IN = 0.\n F_HI_OUT= 0.\n\n IF ( BUDGET_DIAG ) BUDGET_HPPM = .TRUE.\n CALL HPPM ( NCOLS, NROWS, CONX, VELX, DT, DX1, 'C',\n & F_LO_IN, F_LO_OUT, F_HI_IN, F_HI_OUT )\n\n\n ! Store Boundary Fluxes for Budget Diagnostic\n ! Flux units are converted:\n ! vapors: [Jacobian x rho] x [ppm] --> umol\n ! aerosol mass: [Jacobian] x [kg m-3] --> kg\n ! aerosol number: [Jacobian] x [N m-3] --> N\n ! aerosol surface area: [Jacobian] x [m2 m-3] --> m2\n IF ( BUDGET_HPPM ) THEN\n IF ( BNDY_PE_LOX ) THEN\n call interpolate_var ('JACOBM', fdate, ftime, JACOBM)\n call interpolate_var ('ZF', fdate, ftime, ZF)\n IF ( LVL .EQ. 1 ) THEN\n VOL = AX * ZF( 1,ROW,1 ) / MSFX2( 1,ROW )\n ELSE\n VOL = AX * ( ZF( 1,ROW,LVL ) - ZF( 1,ROW,LVL-1 ) ) / MSFX2(1,ROW)\n END IF\n DO I = 1,N_SPC_ADV\n A2C = ADV_MAP( I )\n VOL2 = VOL\n IF ( .NOT. CGRID_MASK_AERO( A2C ) ) VOL2 = VOL / MWAIR_SI\n F_WEST_IN( LVL,A2C ) = F_WEST_IN( LVL,A2C ) \n & + F_LO_IN(I) / JACOBM( 1,ROW,LVL ) * VOL2\n F_WEST_OUT( LVL,A2C ) = F_WEST_OUT( LVL,A2C ) \n & + F_LO_OUT(I) / JACOBM( 1,ROW,LVL ) * VOL2\n END DO\n END IF\n IF ( BNDY_PE_HIX ) THEN\n call interpolate_var ('JACOBM', fdate, ftime, JACOBM)\n call interpolate_var ('ZF', fdate, ftime, ZF)\n IF ( LVL .EQ. 1 ) THEN\n VOL = AX * ZF( NCOLS,ROW,1 ) / MSFX2(NCOLS,ROW)\n ELSE\n VOL = AX * (ZF( NCOLS,ROW,LVL ) - ZF( NCOLS,ROW,LVL-1 )) / MSFX2(NCOLS,ROW)\n END IF\n DO I = 1,N_SPC_ADV\n A2C = ADV_MAP( I )\n VOL2 = VOL\n IF ( .NOT. CGRID_MASK_AERO( A2C ) ) VOL2 = VOL / MWAIR_SI\n F_EAST_IN( LVL,A2C ) = F_EAST_IN( LVL,A2C ) \n & + F_HI_IN(I) / JACOBM( NCOLS,ROW,LVL ) * VOL2\n F_EAST_OUT( LVL,A2C ) = F_EAST_OUT( LVL,A2C ) \n & + F_HI_OUT(I) / JACOBM( NCOLS,ROW,LVL ) * VOL2\n END DO\n END IF\n BUDGET_HPPM = .FALSE.\n END IF\n\n#ifdef isam\n CALL HPPM ( NCOLS, NROWS, SA_CONX, VELX, DT, DX1, 'C',\n & SA_F_LO_IN, SA_F_LO_OUT, SA_F_HI_IN, SA_F_HI_OUT )\n#endif\n\n DO SPC = 1, N_SPC_ADV\n A2C = ADV_MAP( SPC )\n DO COL = 1, NCOLS\n CGRID( COL,ROW,LVL,A2C ) = CONX( COL,SPC )\n END DO\n END DO\n\n#ifdef isam\n DO SPC = 1, N_SPCTAG\n IF( TRANSPORT_SPC( SPC ) )THEN \n DO COL = 1, NCOLS \n ISAM( COL,ROW,LVL,S_SPCTAG( SPC ),T_SPCTAG( SPC ) ) = SA_CONX( COL,SPC )\n END DO\n END IF \n END DO\n#endif\n\n#ifdef sens\n DO NP = 1, NPMAX\n\n CALL CKTIME( FDATE,FTIME,NP,TIMEFLAG) ! Check if the current time is within the time range\n\n DO SPC = 1, N_SPC_ADV\n A2C = ADV_MAP( SPC )\n DO COL = 1, NCOLS\n SENX( COL,SPC ) = SENGRID( COL,ROW,LVL,NP,A2C )\n END DO\n\n#ifdef parallel\n DO COL = 1, SWP\n SENX( COL-SWP,SPC ) = S_HALO_WEST( COL,ROW,SPC,NP )\n SENX( NCOLS+COL,SPC ) = S_HALO_EAST( COL,ROW,SPC,NP )\n END DO\n#endif\n\nC West boundary\n IF ( BNDY_PE_LOX ) THEN\n IF ( VELX( 1 ) .LT. 0.0 ) THEN ! outflow\n IF ( CONX( 0, SPC ) .EQ. 0.0 ) THEN\n SENX( 1-SWP:0, SPC ) = 0.0\n ELSE ! Zero-flux divergence boundary condition for sens\n SENX( 1-SWP:0,SPC ) =\n & S_ZFDBC ( SENX( 1,SPC ), SENX( 2,SPC ),\n & VELX( 1 ), VELX( 2 ) )\n END IF\n ELSE ! inflow\n IF ( BCS ) THEN\n SENX( 1-SWP:0,SPC ) = BSEN( WFX+ROW,SPC,NP )\n ELSE IF ( ( IPT( NP ) .EQ. 2 ) .AND. ( TIMEFLAG ) ) THEN\n ! Insert boundary condition to SEN iff time, date,\n ! species, and region match and senstype is BOUN\n SENX( 1-SWP:0,SPC ) = BCON( WFX+ROW,SPC )\n & * IREGION( 1, ROW, LVL, NP )\n & * REAL ( IDATE ( NP, DATENUM ) )\n & * REAL ( IPARM ( NP, A2C ) )\n ELSE\n ! Otherwise, set to 0\n SENX( 1-SWP:0, SPC ) = 0.0\n END IF\n END IF\n END IF\n\nC East boundary\n IF ( BNDY_PE_HIX ) THEN\n IF ( VELX( NCOLS+1 ) .GT. 0.0 ) THEN ! outflow\n IF ( CONX( NCOLS+1, SPC ) .EQ. 0.0 ) THEN\n SENX( NCOLS+1:NCOLS+SWP, SPC ) = 0.0\n ELSE\n ! Zero-flux divergence boundary condition for\n ! sens\n SENX( NCOLS+1:NCOLS+SWP,SPC ) =\n & S_ZFDBC ( SENX( NCOLS,SPC ), SENX( NCOLS-1,SPC ),\n & VELX( NCOLS+1 ), VELX( NCOLS ) )\n END IF\n ELSE ! inflow\n IF ( BCS ) THEN\n SENX( NCOLS+1:NCOLS+SWP,SPC ) = BSEN( EFX+ROW,SPC,NP )\n ELSE IF ( ( IPT( NP ) .EQ. 2 ) .AND. ( TIMEFLAG ) ) THEN\n ! Insert boundary condition to SEN iff time, date,\n ! species, and region match and senstype is BOUN\n SENX( NCOLS+1:NCOLS+SWP,SPC ) = BCON( EFX+ROW,SPC )\n & * IREGION( NCOLS, ROW, LVL, NP )\n & * REAL ( IDATE ( NP, DATENUM ) )\n & * REAL ( IPARM ( NP, A2C ) )\n ELSE\n SENX( NCOLS+1:NCOLS+SWP,SPC ) = 0.0\n END IF\n END IF\n END IF\n\n END DO\n\nC PPM scheme\n CALL HPPM ( NCOLS, NROWS, SENX, VELX, DT, DX1, 'C',\n & F_LO_IN, F_LO_OUT, F_HI_IN, F_HI_OUT )\n\n DO SPC = 1, N_SPC_ADV\n A2C = ADV_MAP( SPC )\n DO COL = 1, NCOLS\n SENGRID( COL,ROW,LVL,NP,A2C ) = SENX( COL,SPC )\n END DO\n END DO\n\n END DO ! NP\n#endif\n\n233 CONTINUE\n\n RETURN\n END\n" }, { "path": "CCTM/src/hadv/ppm/xy_budget.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n!-----------------------------------------------------------------------\n Module XY_BUDGET\n\n! Collects Advection Process Rates\n!\n!-----------------------------------------------------------------------\n\n Implicit None\n\n SAVE\n\n ! These Arrays are sorted in the same manner as CGRID so they may\n ! be directly applied in modules like Process Analysis and ISAM\n REAL, ALLOCATABLE :: DELC_XADV ( :,:,:,: ) ! Change in Species due to X Advection\n REAL, ALLOCATABLE :: DELC_YADV ( :,:,:,: ) ! Change in Species due to Y Advection\n\n ! Total burden change at boundaries due to advection. The units are\n ! moles for gases, grams for particle mass, 1 for particle number, \n ! and m2 for particle surface area. The conversion total burden\n ! must be done at this level because of variability in vertical\n ! grid cell height over the model output time step.\n REAL, ALLOCATABLE :: F_WEST_IN ( :,: ) ! Mass entering the western boundary\n REAL, ALLOCATABLE :: F_WEST_OUT ( :,: ) ! Mass leaving the western boundary\n REAL, ALLOCATABLE :: F_EAST_IN ( :,: ) ! Mass entering the eastern boundary\n REAL, ALLOCATABLE :: F_EAST_OUT ( :,: ) ! Mass leaving the eastern boundary\n REAL, ALLOCATABLE :: F_SOUTH_IN ( :,: ) ! Mass entering the southern boundary \n REAL, ALLOCATABLE :: F_SOUTH_OUT( :,: ) ! Mass leaving the southern boundary \n REAL, ALLOCATABLE :: F_NORTH_IN ( :,: ) ! Mass entering the northern boundary \n REAL, ALLOCATABLE :: F_NORTH_OUT( :,: ) ! Mass leaving the northern boundary \n\nC-----------------------------------------------------------------------\n\n End Module XY_BUDGET\n" }, { "path": "CCTM/src/hadv/ppm/y_ppm.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE Y_PPM ( CGRID, FDATE, FTIME, TSTEP, LVL, BCON )\n\nC-----------------------------------------------------------------------\nC Function:\nC Piecewise Parabolic Method advection in the Y-direction\n\nC Preconditions:\n\nC Subroutines and functions called:\n\nC Revision history:\nC 28 Jun 2004: Jeff Young\n\nC 1 Nov 06: Jeff Young - Following Glenn Hammond, moved all communication\nC out of HPPM to this level; using \"swap_sandia\" communication; update only\nC local values in the CGRID array within a time step, discarding previous\nC ghost values.\nC 11 May 2009: Jeff Young: Simplify - assume constant cell widths, DS( i )\nC 11 May 2010: Jeff Young: New hppm fix for PGI compiler by David Wong\nC 21 Jun 2010: Jeff Young: convert for Namelist redesign\nC 16 Feb 2011: Shawn Roselle: replaced I/O API include files with UTILIO_DEFN\nC 19 Oct 2015: Jeff Young: Remove stmnt func to resolve PGI compiler error\nC 29 Nov 17 David Wong: removed all SWAP routines and replaced with SE_COMM\nC 16 NOv 2018 S.Napelenok: ISAM implementation\nC 1 Feb 19 David Wong: removed all MY_N clauses\nC 11 Dec 19 S.L.Napelenok: ddm-3d implementation for version 5.3.1\nC-----------------------------------------------------------------------\n\n USE HGRD_DEFN ! horizontal domain specifications\n USE GRID_CONF, ONLY: NLAYS\n USE CGRID_SPCS ! CGRID mechanism species\n USE UTILIO_DEFN\n USE XY_BUDGET, ONLY : F_NORTH_IN, F_NORTH_OUT, F_SOUTH_IN, F_SOUTH_OUT\n USE PA_DEFN, ONLY : BUDGET_DIAG, BUDGET_HPPM\n use CENTRALIZED_IO_MODULE, only : interpolate_var, MSFX2\n#ifdef parallel\n USE SE_MODULES ! stenex (using SE_COMM_MODULE, SE_UTIL_MODULE)\n#else\n USE NOOP_MODULES ! stenex (using NOOP_COMM_MODULE, NOOP_UTIL_MODULE)\n#endif\n\n#ifdef isam\n USE SA_DEFN, Only: ISAM, N_SPCTAG, S_SPCTAG, T_SPCTAG,\n & TRANSPORT_SPC, BCON_SPC, MAP_ADVtoSA\n#endif\n\n#ifdef sens\n USE DDM3D_DEFN, ONLY:SENGRID, NPMAX, NP, BSEN, BCS, DATENUM, IPT, IDATE, IPARM, IREGION, CKTIME, STARTDATE\n#endif \n\n IMPLICIT NONE\n\nC Includes:\n\n INCLUDE SUBST_CONST ! constants\n INCLUDE SUBST_PE_COMM ! PE communication displacement and direction\n\nC Arguments:\n\n REAL, POINTER :: CGRID( :,:,:,: )\n INTEGER, INTENT( IN ) :: FDATE ! current model date, coded YYYYDDD\n INTEGER, INTENT( IN ) :: FTIME ! current model time, coded HHMMSS\n INTEGER, INTENT( IN ) :: TSTEP ! time step (HHMMSS)\n INTEGER, INTENT( IN ) :: LVL ! layer\n REAL, INTENT( IN ) :: BCON( :,: ) ! boundary concentrations\n\nC External Functions:\n\n REAL, EXTERNAL :: ZFDBC\n\nC Parameters:\n\nC Advected species dimension\n\n INTEGER, SAVE :: N_SPC_ADV\n\n! #ifdef parallel\n INTEGER, PARAMETER :: SWP = 3\n! #else\n! INTEGER, PARAMETER :: SWP = 1\n! #endif\n\nC File Variables:\n\n REAL VHAT( NCOLS+1,NROWS+1 ) ! x1-component CX-velocity\n\nC Local Variables:\n\n CHARACTER( 16 ) :: PNAME = 'Y_PPM'\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n CHARACTER( 96 ) :: XMSG = ' '\n\n REAL, SAVE :: DX2, DX1, AX ! dx2 (meters), dx1 (m), ax (m2)\n\n REAL, ALLOCATABLE, SAVE :: VELY( : ), ! Velocities along a column\n & CONY( :,: ) ! Conc's along a column\n#ifdef isam\n REAL, ALLOCATABLE, SAVE :: SA_CONY( :,: )\n#endif\n\n REAL DT ! TSTEP in sec\n INTEGER ALLOCSTAT\n\n INTEGER, ALLOCATABLE, SAVE :: ADV_MAP( : ) ! global adv map to CGRID\n\n CHARACTER( 16 ) :: X2VEL = 'X2VEL'\n\n INTEGER COL, ROW, SPC, VAR, I ! loop counters\n INTEGER A2C\n\n REAL :: JACOBM( NCOLS,NROWS,NLAYS ) !\"total\" Jacobian\n REAL :: ZF( NCOLS,NROWS,NLAYS ) !Grid cell height\n REAL, PARAMETER :: MWAIR_SI = 0.02897 ! kg mol-1\n REAL :: VOL, VOL2 ! Grid Volume\n\n LOGICAL, SAVE :: BNDY_PE_LOY, BNDY_PE_HIY\n REAL, ALLOCATABLE, SAVE :: F_LO_IN( : )\n REAL, ALLOCATABLE, SAVE :: F_LO_OUT( : )\n REAL, ALLOCATABLE, SAVE :: F_HI_IN( : )\n REAL, ALLOCATABLE, SAVE :: F_HI_OUT( : )\n\n#ifdef parallel\n INTEGER NORTH_ROW\n REAL, ALLOCATABLE, SAVE :: HALO_NORTH( :,:,: )\n REAL, ALLOCATABLE, SAVE :: HALO_SOUTH( :,:,: )\n REAL, ALLOCATABLE, SAVE :: BUF_NS( :,:,: )\n#ifdef isam\n REAL, ALLOCATABLE, SAVE :: SA_HALO_NORTH( :,:,: )\n REAL, ALLOCATABLE, SAVE :: SA_HALO_SOUTH( :,:,: )\n REAL, ALLOCATABLE, SAVE :: SA_BUF_NS( :,:,: )\n REAL, ALLOCATABLE, SAVE :: SA_F_LO_IN( : )\n REAL, ALLOCATABLE, SAVE :: SA_F_LO_OUT( : )\n REAL, ALLOCATABLE, SAVE :: SA_F_HI_IN( : )\n REAL, ALLOCATABLE, SAVE :: SA_F_HI_OUT( : )\n#endif\n#endif\n INTEGER, SAVE :: SFX ! fixed parameter for southern boundary\n INTEGER, SAVE :: NFX ! fixed parameter for northern boundary\n\n#ifdef sens\n LOGICAL TIMEFLAG ! checks if within desired time\n REAL, ALLOCATABLE, SAVE :: SENY( :,: ) ! Sens along a col\n REAL, EXTERNAL :: S_ZFDBC ! similar to zfdbc, for sens\n#ifdef parallel\n REAL, ALLOCATABLE, SAVE :: S_HALO_NORTH( :,:,:,: )\n REAL, ALLOCATABLE, SAVE :: S_HALO_SOUTH( :,:,:,: )\n REAL, ALLOCATABLE, SAVE :: S_BUF_NS( :,:,:,: )\n#endif\n#endif\n\nC Required interface for allocatable array dummy arguments\n\n INTERFACE\n SUBROUTINE HCONTVEL ( FDATE, FTIME, TSTEP, LVL, UORV, UHAT )\n INTEGER, INTENT( IN ) :: FDATE, FTIME, TSTEP, LVL\n CHARACTER( 16 ), INTENT( IN ) :: UORV\n REAL, INTENT( OUT ) :: UHAT( :,: )\n END SUBROUTINE HCONTVEL\n SUBROUTINE HPPM ( NI, NJ, CON, VEL, DT, DS, ORI,\n & F_LO_IN, F_LO_OUT, F_HI_IN, F_HI_OUT )\n! #ifdef parallel\n INTEGER, PARAMETER :: SWP = 3\n! #else\n! INTEGER, PARAMETER :: SWP = 1\n! #endif\n INTEGER, INTENT( IN ) :: NI, NJ\n REAL, INTENT( IN OUT ) :: CON( 1-SWP:,1: )\n REAL, INTENT( IN ) :: VEL( : )\n REAL, INTENT( IN ) :: DT\n REAL, INTENT( IN ) :: DS\n CHARACTER, INTENT( IN ) :: ORI\n REAL , INTENT( OUT) :: F_LO_IN( : )\n REAL , INTENT( OUT) :: F_LO_OUT( : )\n REAL , INTENT( OUT) :: F_HI_IN( : )\n REAL , INTENT( OUT) :: F_HI_OUT( : )\n END SUBROUTINE HPPM\n END INTERFACE\nC-----------------------------------------------------------------------\n\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n\n SFX = 0\n NFX = NCOLS + NROWS + 3\n\nC Get dx2 from HGRD_DEFN module\n\n IF ( GDTYP_GD .EQ. LATGRD3 ) THEN\n DX1 = DG2M * XCELL_GD\n & * COS( PI180*( YORIG_GD + YCELL_GD*FLOAT( GL_NROWS/2 ))) ! in m.\n DX2 = DG2M * YCELL_GD ! in m.\n\n ELSE\n DX1 = XCELL_GD ! in m.\n DX2 = YCELL_GD ! in m.\n END IF\n AX = DX1 * DX2\n\n N_SPC_ADV = N_GC_TRNS + N_AE_TRNS + N_NR_TRNS + N_TR_ADV + 1\n ! add 1 for advecting RHOJ\n\n ALLOCATE ( CONY( 1-SWP:NROWS+SWP,N_SPC_ADV ),\n#ifdef isam\n & SA_CONY( 1-SWP:NROWS+SWP,N_SPCTAG ),\n#endif\n & VELY( NROWS+1 ), STAT = ALLOCSTAT ) ! Vel along a col\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating VELY, or CONY'\n CALL M3EXIT ( PNAME, FDATE, FTIME, XMSG, XSTAT1 )\n END IF\n#ifdef isam\n SA_CONY = 0.0\n#endif\n ALLOCATE ( ADV_MAP( N_SPC_ADV ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating ADV_MAP'\n CALL M3EXIT ( PNAME, FDATE, FTIME, XMSG, XSTAT1 )\n END IF\n\n#ifdef parallel\n ALLOCATE ( HALO_NORTH( NCOLS,SWP,N_SPC_ADV ),\n & HALO_SOUTH( NCOLS,SWP,N_SPC_ADV ),\n & BUF_NS ( NCOLS,SWP,N_SPC_ADV ),\n#ifdef isam\n & SA_HALO_NORTH( NCOLS,SWP,N_SPCTAG ),\n & SA_HALO_SOUTH( NCOLS,SWP,N_SPCTAG ),\n & SA_BUF_NS ( NCOLS,SWP,N_SPCTAG ),\n#endif\n & STAT = ALLOCSTAT )\n\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating HALO_NORTH, HALO_SOUTH, or BUF_NS'\n CALL M3EXIT ( PNAME, FDATE, FTIME, XMSG, XSTAT1 )\n END IF\n HALO_NORTH = 0.0 ! array\n HALO_SOUTH = 0.0 ! array\n BUF_NS = 0.0 ! array\n#ifdef isam\n SA_HALO_NORTH = 0.0 ! array\n SA_HALO_SOUTH = 0.0 ! array\n SA_BUF_NS = 0.0 ! array\n#endif\n#endif\n\n#ifdef sens\n ALLOCATE ( SENY( 1-SWP:NROWS+SWP,N_SPC_ADV ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating SENY'\n CALL M3EXIT ( PNAME, FDATE, FTIME, XMSG, XSTAT1 )\n END IF\n#ifdef parallel\n ALLOCATE ( S_HALO_NORTH( NCOLS,SWP,N_SPC_ADV,NPMAX ),\n & S_HALO_SOUTH( NCOLS,SWP,N_SPC_ADV,NPMAX ),\n & S_BUF_NS ( NCOLS,SWP,N_SPC_ADV,NPMAX ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG =\n & 'Failure allocating S_HALO_NORTH, S_HALO_SOUTH, or S_BUF_NS'\n CALL M3EXIT ( PNAME, FDATE, FTIME, XMSG, XSTAT1 )\n END IF\n S_HALO_NORTH = 0.0 ! array\n S_HALO_SOUTH = 0.0 ! array\n S_BUF_NS = 0.0 ! array\n#endif\n#endif\n\nC Create global map to CGRID\n\n SPC = 0\n DO VAR = 1, N_GC_TRNS\n SPC = SPC + 1\n ADV_MAP( SPC ) = GC_STRT - 1 + GC_TRNS_MAP( VAR )\n END DO\n DO VAR = 1, N_AE_TRNS\n SPC = SPC + 1\n ADV_MAP( SPC ) = AE_STRT - 1 + AE_TRNS_MAP( VAR )\n END DO\n DO VAR = 1, N_NR_TRNS\n SPC = SPC + 1\n ADV_MAP( SPC ) = NR_STRT - 1 + NR_TRNS_MAP( VAR )\n END DO\n DO VAR = 1, N_TR_ADV\n SPC = SPC + 1\n ADV_MAP( SPC ) = TR_STRT - 1 + TR_ADV_MAP( VAR )\n END DO\n\n ADV_MAP( N_SPC_ADV ) = RHOJ_LOC\n\n CALL SUBST_HI_LO_BND_PE ( 'R', BNDY_PE_LOY, BNDY_PE_HIY )\n\n ! Allocate FLuxes for Budget Tool\n ALLOCATE( F_LO_IN(N_SPC_ADV),\n & F_LO_OUT(N_SPC_ADV),\n & F_HI_IN(N_SPC_ADV),\n & F_HI_OUT(N_SPC_ADV) )\n\n#ifdef isam\n ALLOCATE( SA_F_LO_IN(N_SPCTAG),\n & SA_F_LO_OUT(N_SPCTAG),\n & SA_F_HI_IN(N_SPCTAG),\n & SA_F_HI_OUT(N_SPCTAG) )\n#endif\n\n\n END IF ! if firstime\n\n DT = FLOAT ( TIME2SEC ( TSTEP ) )\n\n#ifdef sens\n ! index that will be used by IDATE\n DATENUM = 1 + FDATE - STARTDATE\n#endif\n\nC Do the computation for y advection\n\nC Get the contravariant x2 velocity component\n\n CALL HCONTVEL ( FDATE, FTIME, TSTEP, LVL, X2VEL, VHAT )\n\n CALL SUBST_COMM (VHAT, DSPL_N1_E0_S0_W0, DRCN_N)\n\n#ifdef parallel\n NORTH_ROW = NROWS - SWP\n DO SPC = 1, N_SPC_ADV\n A2C = ADV_MAP( SPC )\n DO ROW = 1, SWP\n DO COL = 1, NCOLS\n HALO_SOUTH( COL,ROW,SPC ) = CGRID( COL,ROW,LVL,A2C )\n HALO_NORTH( COL,ROW,SPC ) = CGRID( COL,NORTH_ROW+ROW,LVL,A2C )\n BUF_NS( COL,ROW,SPC ) = HALO_NORTH( COL,ROW,SPC )\n#ifdef sens\n DO NP = 1, NPMAX\n S_HALO_SOUTH( COL,ROW,SPC,NP ) = SENGRID( COL,ROW,LVL,NP,A2C )\n S_HALO_NORTH( COL,ROW,SPC,NP ) = SENGRID( COL,NORTH_ROW+ROW,LVL,NP,A2C )\n S_BUF_NS( COL,ROW,SPC,NP ) = S_HALO_NORTH( COL,ROW,SPC,NP )\n END DO\n#endif\n END DO\n END DO\n END DO\n\n CALL SUBST_COMM (HALO_SOUTH, HALO_NORTH, DSPL_N1_E0_S0_W0, DRCN_N)\n CALL SUBST_COMM (BUF_NS, HALO_SOUTH, DSPL_N0_E0_S1_W0, DRCN_S)\n#ifdef sens\n DO NP = 1, NPMAX\n CALL SUBST_COMM( S_HALO_SOUTH(:,:,:,NP), S_HALO_NORTH(:,:,:,NP),\n & DSPL_N1_E0_S0_W0, DRCN_N )\n CALL SUBST_COMM( S_BUF_NS(:,:,:,NP), S_HALO_SOUTH(:,:,:,NP),\n & DSPL_N0_E0_S1_W0, DRCN_S )\n END DO\n#endif\n\n\n#ifdef isam\n DO SPC = 1, N_SPCTAG\n IF( TRANSPORT_SPC( SPC ) )THEN \n DO ROW = 1, SWP\n DO COL = 1, NCOLS\n SA_HALO_SOUTH( COL,ROW,SPC ) =\n & ISAM( COL,ROW,LVL,S_SPCTAG( SPC ),T_SPCTAG( SPC ) )\n SA_HALO_NORTH( COL,ROW,SPC ) =\n & ISAM( COL,NORTH_ROW+ROW,LVL,S_SPCTAG( SPC ),T_SPCTAG( SPC ) )\n SA_BUF_NS( COL,ROW,SPC ) = SA_HALO_NORTH( COL,ROW,SPC )\n END DO\n END DO\n END IF\n END DO\n\n CALL SUBST_COMM (SA_HALO_SOUTH, SA_HALO_NORTH, DSPL_N1_E0_S0_W0, DRCN_N)\n CALL SUBST_COMM (SA_BUF_NS, SA_HALO_SOUTH, DSPL_N0_E0_S1_W0, DRCN_S)\n\n#endif\n\n#endif\n\n DO 233 COL = 1, NCOLS\n\n DO ROW = 1, NROWS+1\n VELY( ROW ) = VHAT( COL,ROW )\n END DO\n\n DO SPC = 1, N_SPC_ADV\n\n A2C = ADV_MAP( SPC )\n DO ROW = 1, NROWS\n CONY( ROW,SPC ) = CGRID( COL,ROW,LVL,A2C )\n END DO\n\n#ifdef parallel\n DO ROW = 1, SWP\n CONY( ROW-SWP,SPC ) = HALO_SOUTH( COL,ROW,SPC )\n CONY( NROWS+ROW,SPC ) = HALO_NORTH( COL,ROW,SPC )\n END DO\n#endif\n\nC South boundary\n\n IF ( BNDY_PE_LOY ) THEN\n IF ( VELY( 1 ) .LT. 0.0 ) THEN ! outflow\n CONY( 1-SWP:0,SPC) =\n & ZFDBC ( CONY( 1,SPC ), CONY( 2,SPC ),\n & VELY( 1 ), VELY( 2 ) )\n ELSE ! inflow\n CONY( 1-SWP:0,SPC ) = BCON( SFX+COL,SPC )\n END IF\n END IF\n\nC North boundary\n\n IF ( BNDY_PE_HIY ) THEN\n IF ( VELY( NROWS+1 ) .GT. 0.0 ) THEN ! outflow\n CONY( NROWS+1:NROWS+SWP,SPC ) =\n & ZFDBC ( CONY( NROWS,SPC ), CONY( NROWS-1,SPC ),\n & VELY( NROWS+1 ), VELY( NROWS ) )\n ELSE ! inflow\n CONY( NROWS+1:NROWS+SWP,SPC ) = BCON( NFX+COL,SPC )\n END IF\n END IF\n\n END DO\n\n#ifdef isam\n DO SPC = 1, N_SPCTAG\n\n IF( TRANSPORT_SPC( SPC ) )THEN\n\n DO ROW = 1, NROWS\n SA_CONY( ROW,SPC ) = ISAM( COL,ROW,LVL,S_SPCTAG( SPC ),T_SPCTAG( SPC ) )\n END DO\n \n#ifdef parallel\n DO ROW = 1, SWP\n SA_CONY( ROW-SWP,SPC ) = SA_HALO_SOUTH( COL,ROW,SPC )\n SA_CONY( NROWS+ROW,SPC ) = SA_HALO_NORTH( COL,ROW,SPC )\n END DO\n#endif\n\nC South boundary\n IF ( BNDY_PE_LOY ) THEN\n IF ( VELY( 1 ) .LT. 0.0 ) THEN ! outflow\n SA_CONY( 1-SWP:0,SPC ) =\n & ZFDBC ( SA_CONY( 1,SPC ), SA_CONY( 2,SPC ), VELY( 1 ), VELY( 2 ) )\n ELSE ! inflow\n IF ( BCON_SPC( SPC ) ) THEN\n SA_CONY( 1-SWP:0,SPC ) = BCON( SFX+COL,MAP_ADVtoSA( SPC ) )\n ELSE\n SA_CONY( 1-SWP:0,SPC ) = 0.0\n END IF \n END IF ! vely < 0 ?\n END IF ! bndy_pe_loy ?\n\nC North boundary\n IF ( BNDY_PE_HIY ) THEN\n IF ( VELY( NROWS+1 ) .GT. 0.0 ) THEN ! outflow\n SA_CONY( NROWS+1:NROWS+SWP,SPC ) =\n & ZFDBC ( SA_CONY( NROWS,SPC ), SA_CONY( NROWS-1,SPC ),\n & VELY( NROWS+1 ), VELY( NROWS ) )\n ELSE ! inflow\n IF ( BCON_SPC( SPC ) ) THEN\n SA_CONY( NROWS+1:NROWS+SWP,SPC ) = BCON( NFX+COL,MAP_ADVtoSA( SPC ) )\n ELSE\n SA_CONY( NROWS+1:NROWS+SWP,SPC ) = 0.0\n END IF\n END IF ! vely > 0 ?\n END IF ! bndy_pe_hiy ?\n END IF \n END DO ! SPC loop\n#endif\n\nC PPM scheme\n F_LO_IN = 0.\n F_LO_OUT= 0.\n F_HI_IN = 0.\n F_HI_OUT= 0.\n\n IF ( BUDGET_DIAG ) BUDGET_HPPM = .TRUE.\n CALL HPPM ( NROWS, NCOLS, CONY, VELY, DT, DX2, 'R',\n & F_LO_IN, F_LO_OUT, F_HI_IN, F_HI_OUT )\n \n ! Store Boundary Fluxes for Budget Diagnostic\n ! Flux units are converted:\n ! vapors: [Jacobian x rho] x [ppm] --> umol\n ! aerosol mass: [Jacobian] x [kg m-3] --> kg\n ! aerosol number: [Jacobian] x [N m-3] --> N\n ! aerosol surface area: [Jacobian] x [m2 m-3] --> m2\n IF ( BUDGET_HPPM ) THEN\n IF ( BNDY_PE_LOY ) THEN\n call interpolate_var ('JACOBM', fdate, ftime, JACOBM)\n call interpolate_var ('ZF', fdate, ftime, ZF)\n IF ( LVL .EQ. 1 ) THEN\n VOL = AX * ZF( COL,1,1 ) / MSFX2( COL,1 )\n ELSE\n VOL = AX * ( ZF( COL,1,LVL ) - ZF( COL,1,LVL-1 ) ) / MSFX2(COL,1)\n END IF\n DO I = 1,N_SPC_ADV\n A2C = ADV_MAP( I )\n VOL2 = VOL\n IF ( .NOT. CGRID_MASK_AERO( A2C ) ) VOL2 = VOL / MWAIR_SI\n F_SOUTH_IN( LVL,A2C ) = F_SOUTH_IN( LVL,A2C ) \n & + F_LO_IN(I) / JACOBM( COL,1,LVL ) * VOL2\n F_SOUTH_OUT( LVL,A2C ) = F_SOUTH_OUT( LVL,A2C ) \n & + F_LO_OUT(I) / JACOBM( COL,1,LVL ) * VOL2\n END DO\n END IF\n IF ( BNDY_PE_HIY ) THEN\n call interpolate_var ('JACOBM', fdate, ftime, JACOBM)\n call interpolate_var ('ZF', fdate, ftime, ZF)\n IF ( LVL .EQ. 1 ) THEN\n VOL = AX * ZF( COL,NROWS,1 ) / MSFX2( COL,NROWS )\n ELSE\n VOL = AX * ( ZF( COL,NROWS,LVL ) - ZF( COL,NROWS,LVL-1 ) ) / MSFX2(COL,NROWS)\n END IF\n DO I = 1,N_SPC_ADV\n A2C = ADV_MAP( I )\n VOL2 = VOL\n IF ( .NOT. CGRID_MASK_AERO( A2C ) ) VOL2 = VOL / MWAIR_SI\n F_NORTH_IN( LVL,A2C ) = F_NORTH_IN( LVL,A2C ) \n & + F_HI_IN(I) / JACOBM( COL,NROWS,LVL ) * VOL2\n F_NORTH_OUT( LVL,A2C ) = F_NORTH_OUT( LVL,A2C ) \n & + F_HI_OUT(I) / JACOBM( COL,NROWS,LVL ) * VOL2\n END DO\n END IF\n BUDGET_HPPM = .FALSE.\n END IF\n \n#ifdef isam\n CALL HPPM ( NROWS, NCOLS, SA_CONY, VELY, DT, DX2, 'R',\n & SA_F_LO_IN, SA_F_LO_OUT, SA_F_HI_IN, SA_F_HI_OUT )\n#endif\n\n DO SPC = 1, N_SPC_ADV\n A2C = ADV_MAP( SPC )\n DO ROW = 1, NROWS\n CGRID( COL,ROW,LVL,A2C ) = CONY( ROW,SPC )\n END DO\n END DO\n\n#ifdef isam\n DO SPC = 1, N_SPCTAG\n IF( TRANSPORT_SPC( SPC ) )THEN\n DO ROW = 1, NROWS\n ISAM( COL,ROW,LVL,S_SPCTAG( SPC ),T_SPCTAG( SPC ) ) = SA_CONY( ROW,SPC )\n END DO\n END IF \n END DO\n#endif\n\n\n#ifdef sens\n DO NP = 1, NPMAX\n\n CALL CKTIME( FDATE,FTIME,NP,TIMEFLAG) ! Check if the current time is within the time range\n\n DO SPC = 1, N_SPC_ADV\n A2C = ADV_MAP( SPC )\n DO ROW = 1, NROWS\n SENY( ROW,SPC ) = SENGRID( COL,ROW,LVL,NP,A2C )\n END DO\n\n#ifdef parallel\n DO ROW = 1, SWP\n SENY( ROW-SWP,SPC ) = S_HALO_SOUTH( COL,ROW,SPC,NP )\n SENY( NROWS+ROW,SPC ) = S_HALO_NORTH( COL,ROW,SPC,NP )\n END DO\n#endif\n\nC South boundary\n IF ( BNDY_PE_LOY ) THEN\n IF ( VELY( 1 ) .LT. 0.0 ) THEN ! outflow\n IF ( CONY( 0, SPC ) .EQ. 0.0 ) THEN\n SENY( 1-SWP:0, SPC ) = 0.0\n ELSE ! Zero-flux divergence boundary condition for sens\n SENY( 1-SWP:0,SPC ) =\n & S_ZFDBC ( SENY( 1,SPC ), SENY( 2,SPC ),\n & VELY( 1 ), VELY( 2 ) )\n END IF\n ELSE ! inflow\n IF ( BCS ) THEN\n SENY( 1-SWP:0,SPC ) = BSEN( SFX+COL,SPC,NP )\n ELSE IF ( ( IPT( NP ) .EQ. 2 ) .AND. ( TIMEFLAG ) ) THEN\n ! Insert boundary condition to SEN iff time, date,\n ! species, and region match and senstype is BOUN\n SENY( 1-SWP:0,SPC ) = BCON( SFX+COL,SPC )\n & * IREGION( COL, 1, LVL, NP )\n & * REAL ( IDATE ( NP, DATENUM ) )\n & * REAL ( IPARM ( NP, A2C ) )\n ELSE\n ! Otherwise, set to 0\n SENY( 1-SWP:0, SPC ) = 0.0\n END IF\n END IF\n END IF\n\nC North boundary\n IF ( BNDY_PE_HIY ) THEN\n IF ( VELY( NROWS+1 ) .GT. 0.0 ) THEN ! outflow\n IF ( CONY( NROWS+1, SPC ) .EQ. 0.0 ) THEN\n SENY( NROWS+1:NROWS+SWP, SPC ) = 0.0\n ELSE\n ! Zero-flux divergence boundary condition for sens\n SENY( NROWS+1:NROWS+SWP,SPC ) =\n & S_ZFDBC ( SENY( NROWS,SPC ), SENY( NROWS-1,SPC ),\n & VELY( NROWS+1 ), VELY( NROWS ) )\n END IF\n ELSE ! inflow\n IF ( BCS ) THEN\n SENY( NROWS+1:NROWS+SWP,SPC ) = BSEN( NFX+COL,SPC,NP )\n ELSE IF ( ( IPT( NP ) .EQ. 2 ) .AND. ( TIMEFLAG ) ) THEN\n ! Insert boundary condition to SEN iff time, date,\n ! species, and region match and senstype is BOUN\n SENY( NROWS+1:NROWS+SWP,SPC ) = BCON( NFX+COL,SPC )\n & * IREGION( COL, NROWS, LVL, NP )\n & * REAL ( IDATE ( NP, DATENUM ) )\n & * REAL ( IPARM ( NP, A2C ) )\n ELSE\n SENY( NROWS+1:NROWS+SWP,SPC ) = 0.0\n END IF\n END IF\n END IF\n\n END DO\n\nC PPM scheme\n CALL HPPM ( NROWS, NCOLS, SENY, VELY, DT, DX2, 'R',\n & F_LO_IN, F_LO_OUT, F_HI_IN, F_HI_OUT )\n\n DO SPC = 1, N_SPC_ADV\n A2C = ADV_MAP( SPC )\n DO ROW = 1, NROWS\n SENGRID( COL,ROW,LVL,NP,A2C ) = SENY( ROW,SPC )\n END DO\n END DO\n\n END DO ! NP\n#endif\n\n233 CONTINUE\n\n RETURN\n END\n" }, { "path": "CCTM/src/hadv/ppm/zfdbc.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n REAL FUNCTION ZFDBC (C1, C2, V1, V2)\n\nc Zero Flux Divergence Boundary Condition (See Jon Pleim's JGR (1991) paper)\nc To eliminate reflections and other boundary anomalies\nC Problem if V1 is outflow, but V2 is inflow\n\n IMPLICIT NONE\n REAL SMALL\n PARAMETER (SMALL = 1.0E-03 ) ! for small wind speed (m/s)\n REAL C1, C2, V1, V2\n \n IF ( ABS( V1 ) .GE. SMALL ) THEN\n IF ( V1 * V2 .GT. 0.0 ) THEN\n ZFDBC = MAX (0.0, C1 - V2 / V1 * (C2 - C1)) \n ELSE\n ZFDBC = C1 ! nothing changes for wind divergence at edge\n END IF\n ELSE\n ZFDBC = C1 ! nothing changes for small wind speed\n END IF\n\n RETURN\n END\n" }, { "path": "CCTM/src/hdiff/multiscale/deform.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE DEFORM ( JDATE, JTIME, DEFORM3D )\n \nC-----------------------------------------------------------------------\nC Function:\nC Computes wind deformation based on the contravariant horizontal\nC velocity components.\n \nC Preconditions:\nC This routine can be used only for conformal map coordinates \nC in the horizontal.\nC Dates and times should be represented YYYYDDD:HHMMSS.\n \nC Subroutines and functions called:\nC INTERP3, M3EXIT, TIME2SEC, SEC2TIME, NEXTIME\n \nC Revision history:\nC\nC Oct 10, 2000 Initial development (code adapted from hcontvel.F)\nC Daewon Byun and Avi Lacser\n\nC 26 Dec 00 J.Young: GLOBAL_RMAX -> Dave Wong's f90 stenex GLOBAL_MAX\nC PE_COMM3 -> Dave Wong's f90 stenex COMM\nC\nC 11 Jan 01 David Wong: -- Introduced two new local variable LOC_UWIND and\nC LOC_VWIND: because of INTERP3, The file buffer\nC UWIND, neccessarily does not have dimensions for\nC a row ghost region. the same is true for VWIND\nC with respect to a column ghost region.\nC -- invoked SE_LOOP_INDEX to compute correct loop\nC index for the local processor\nC -- corrected communication pattern for DENSJ\nC 7 Aug 01 J.Young: dyn alloc - Use HGRD_DEFN; replace INTERP3 with INTERPX\nC and INTERPB; allocatable arrays\nC Not developed for other than NTHIK = 1\nC 25 MAr 04 G.Hammond: move wind velocity ghost cell updates outside layer\nC loop. Use SNL \"swap3d\".\nC 31 Jan 05 J.Young: dyn alloc - establish both horizontal & vertical\nC domain specifications in one module\nC 16 Feb 11 S. Roselle: replaced I/O-API include files w/UTILIO_DEFN\nC 11 May 11 D.Wong: incorporated twoway model implementation\nC 28 Jul 11 David Wong: set REVERT to .false. for twoway model case since\nC buffered file has only two time steps data\nC 29 Nov 17 David Wong: removed all SWAP routines and replaced with SE_COMM\nC 01 Feb 19 David Wong: Implemented centralized I/O approach, removed all MY_N\nC clauses\nC-----------------------------------------------------------------------\n \n USE GRID_CONF ! horizontal & vertical domain specifications\n USE UTILIO_DEFN\n#ifdef parallel\n USE SE_MODULES ! stenex (using SE_GLOBAL_MAX_MODULE, SE_COMM_MODULE)\n#else\n USE NOOP_MODULES ! stenex (using NOOP_GLOBAL_MAX_MODULE, NOOP_COMM_MODULE)\n#endif\n use CENTRALIZED_IO_MODULE, only : interpolate_var, window\n\n IMPLICIT NONE\n\nC Includes:\n\n INCLUDE SUBST_FILES_ID ! file name parameters\n INCLUDE SUBST_CONST ! constants\n INCLUDE SUBST_PE_COMM ! PE communication displacement and direction\n \nC Parameters:\n\nC Arguments:\n \n INTEGER, INTENT( IN ) :: JDATE ! current model date, coded YYYYDDD\n INTEGER, INTENT( IN ) :: JTIME ! current model time, coded HHMMSS\n REAL, INTENT( OUT ) :: DEFORM3D( :,:,: ) ! Wind deformation\n \nC Parameters:\n\nC file variables:\n \n REAL DENSJ_BUF( NCOLS,NROWS,NLAYS ) ! Jacobian * air density\n REAL DENSJ_BND( NBNDY,NLAYS ) ! boundary Jacobian * air density\n \nC External Functions: None\n \nC local variables:\n \n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n\n INTEGER, SAVE :: MLAYS\n \n INTEGER ROW ! Row index\n INTEGER COL ! Column index\n INTEGER LVL ! Layer index\n INTEGER MDATE ! mid-advection date\n INTEGER MTIME ! mid-advection time\n! INTEGER STEP ! advection time step in seconds\n INTEGER, SAVE :: LDATE( 3 ) ! last date for data on file\n INTEGER, SAVE :: LTIME( 3 ) ! last time for data on file\n LOGICAL REVERT ! recover last time step if true\n REAL DJ ! temporary Jacobian * air density\n \n CHARACTER( 16 ) :: VNAME\n CHARACTER( 16 ) :: PNAME = 'DEFORM'\n CHARACTER( 16 ) :: AMSG\n CHARACTER( 96 ) :: XMSG = ' '\n \nC Jacobian * air density\n REAL DENSJ ( 0:NCOLS+1,0:NROWS+1,NLAYS )\n\n REAL UWIND ( NCOLS+1, NROWS+1,NLAYS ) ! ContrVar x1-velocity \n REAL LOC_UWIND( NCOLS+1,0:NROWS+1,NLAYS ) ! local CV x1-velocity \n REAL VWIND ( NCOLS+1, NROWS+1,NLAYS ) ! ContrVar x2-velocity \n REAL LOC_VWIND( 0:NCOLS+1, NROWS+1,NLAYS ) ! local CV x2-velocity \n REAL DUDX ( NCOLS, NROWS )\n REAL DUDY ( NCOLS, NROWS )\n REAL DVDX ( NCOLS, NROWS )\n REAL DVDY ( NCOLS, NROWS )\n CHARACTER( 8 ), SAVE :: COMMSTR\n\n REAL, SAVE :: DX1, DX2 ! X1 & X2 grid size\n REAL, SAVE :: RDX1, RDX2 ! inverse of DX1 & DX2\n! REAL, SAVE :: RDX1O2, RDX2O2 ! half of inverse of DX1 & DX2\n REAL, SAVE :: RDX1O4, RDX2O4 ! quarter of inverse of DX1 & DX2\n REAL UBAR1, UBAR2 ! U average at X point (Avi)\n REAL VBAR1, VBAR2 ! V average at X point (Avi)\n REAL DF1, DF2 ! deformation components\n INTEGER C, R, L ! notations for COL, ROW, LVL\n INTEGER C1, R1 ! C1 = C+1, R1 = R+1 (Avi)\n INTEGER C2, R2 ! C2 = C-1, R2 = R-1 (Avi)\n! INTEGER C1, R1 ! C1 = MAX(1, C-1), R1 = MAX(1, R-1) (Daewon)\n! INTEGER C2, R2 ! C2 = MIN(C+1, NCOLS), R2 = MIN(R+1, NROWS) (DBX)\n INTEGER COUNT ! Counter for constructing density array.\n REAL DEFMAX ! max deformation (dianostic)\n\n INTEGER MY_TEMP\n INTEGER, SAVE :: FRSTROW, LASTROW, FRSTCOL, LASTCOL\n\nC-----------------------------------------------------------------------\n \n IF ( FIRSTIME ) THEN\n \n FIRSTIME = .FALSE.\n\n MLAYS = SIZE ( DEFORM3D,3 )\n \n CALL LSTEPF( MET_CRO_3D, LDATE( 1 ), LTIME( 1 ) )\n! CALL LSTEPF( MET_BDY_3D, LDATE( 2 ), LTIME( 2 ) )\n CALL LSTEPF( MET_DOT_3D, LDATE( 3 ), LTIME( 3 ) )\n \n! LDATE( 1 ) = MIN( LDATE( 1 ), LDATE( 2 ), LDATE( 3 ) )\n! LTIME( 1 ) = SEC2TIME( MIN(\n! & TIME2SEC( LTIME( 1 ) ),\n! & TIME2SEC( LTIME( 2 ) ),\n! & TIME2SEC( LTIME( 3 ) )\n! & ) )\n\n LDATE( 1 ) = MIN( LDATE( 1 ), LDATE( 3 ) )\n LTIME( 1 ) = SEC2TIME( MIN(\n & TIME2SEC( LTIME( 1 ) ),\n & TIME2SEC( LTIME( 3 ) )\n & ) )\n\n WRITE( COMMSTR,'(4I2)' ) 1, 0, 2, 0\n\nC Get/compute DX1 & DX2\n \n IF ( GDTYP_GD .EQ. LATGRD3 ) THEN\n DX1 = DG2M * XCELL_GD ! in m.\n DX2 = DG2M * YCELL_GD *\n & COS( PI180*( YORIG_GD + YCELL_GD * FLOAT( GL_NROWS/2 ))) !in m\n ELSE\n DX1 = XCELL_GD ! in m.\n DX2 = YCELL_GD ! in m.\n END IF \n\n RDX1 = 1.0 / DX1\n RDX2 = 1.0 / DX2\n! RDX1O2 = 0.5 / DX1\n! RDX2O2 = 0.5 / DX2\n RDX1O4 = 0.25 / DX1\n RDX2O4 = 0.25 / DX2\n\n CALL SUBST_LOOP_INDEX ( 'R', 2, NROWS, -1, MY_TEMP,\n & FRSTROW, LASTROW )\n CALL SUBST_LOOP_INDEX ( 'C', 2, NCOLS, -1, MY_TEMP, \n & FRSTCOL, LASTCOL )\n\n END IF ! if firstime\n \n MDATE = JDATE\n MTIME = JTIME\n! STEP = TIME2SEC( TSTEP )\n! CALL NEXTIME( MDATE, MTIME, SEC2TIME( STEP / 2 ) )\n\n#ifdef twoway\n REVERT = .FALSE.\n#else\n IF ( MDATE .LT. LDATE( 1 ) ) THEN\n REVERT = .FALSE.\n ELSE IF ( MDATE .EQ. LDATE( 1 ) ) THEN\n IF ( MTIME .LE. LTIME( 1 ) ) THEN\n REVERT = .FALSE.\n ELSE\n REVERT = .TRUE.\n END IF\n ELSE ! MDATE .GT. LDATE\n REVERT = .TRUE.\n END IF\n#endif\n \n IF ( REVERT ) THEN\n XMSG = 'Current scenario interpolation step not available in all of '\n & // TRIM( MET_CRO_3D ) // ', '\n & // TRIM( MET_BDY_3D ) // ' and '\n & // TRIM( MET_DOT_3D )\n CALL M3MESG( XMSG )\n! CALL NEXTIME( MDATE, MTIME, -SEC2TIME( STEP / 2 ) )\n WRITE( AMSG,'( 2I8 )' ) LDATE( 1 ), LTIME( 1 )\n XMSG = 'Using data for last file step: ' // AMSG\n CALL M3MESG( XMSG )\n MDATE = LDATE( 1 )\n MTIME = LTIME( 1 )\n END IF\n \nC Interpolate Jacobian X Air Density\n\n IF ( WINDOW ) THEN\n\n call interpolate_var ('DENSA_J', mdate, mtime, DENSJ)\n\n ELSE ! need to extend data from bndy file\n\n call interpolate_var ('DENSA_J', mdate, mtime, DENSJ_BUF)\n\n call interpolate_var ('DENSA_J', mdate, mtime, DENSJ_BND, 'b')\n\nC Load DENSJ array\n\n DO LVL = 1, MLAYS\n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n DENSJ( COL,ROW,LVL ) = DENSJ_BUF( COL,ROW,LVL )\n END DO\n END DO\n END DO\n\nC Fill in DENSJ array for boundaries\n\n DO LVL = 1, MLAYS\n COUNT = 0\n DO ROW = 0, 0\n DO COL = 1, NCOLS + 1\n COUNT = COUNT + 1\n DENSJ( COL,ROW,LVL ) = DENSJ_BND( COUNT,LVL ) ! South\n END DO\n END DO\n DO ROW = 1, NROWS + 1\n DO COL = NCOLS + 1, NCOLS + 1\n COUNT = COUNT + 1\n DENSJ( COL,ROW,LVL ) = DENSJ_BND( COUNT,LVL ) ! East\n END DO\n END DO\n DO ROW = NROWS + 1, NROWS + 1\n DO COL = 0, NCOLS\n COUNT = COUNT + 1\n DENSJ( COL,ROW,LVL ) = DENSJ_BND( COUNT,LVL ) ! North\n END DO\n END DO\n DO ROW = 0, NROWS\n DO COL = 0, 0\n COUNT = COUNT + 1\n DENSJ( COL,ROW,LVL ) = DENSJ_BND( COUNT,LVL ) ! West\n END DO\n END DO\n END DO\n\n END IF ! WINDOW\n \nC Interpolate Contravariant Velocity components (already at flux points)\nC X Jacobian X Air Density\n\n call interpolate_var ('UHAT_JD', mdate, mtime, UWIND)\n\n call interpolate_var ('VHAT_JD', mdate, mtime, VWIND)\n\nC Obtain flux point values of Jacobian * air density and retrieve\nC contravariant velocities \n\nC create U/RhoJ - update ghost regions for RhoJ\n\n CALL SUBST_COMM ( DENSJ, DSPL_N0_E1_S0_W1, DRCN_E_W, COMMSTR )\n\n LOC_UWIND = 0.0 ! array assignment\n DO LVL = 1, MLAYS\n DO ROW = 1, NROWS\n DO COL = 1, NCOLS + 1\n DJ = 0.5*( DENSJ( COL,ROW,LVL ) + DENSJ( COL-1,ROW,LVL ) )\n LOC_UWIND( COL,ROW,LVL ) = UWIND( COL,ROW,LVL ) / DJ\n END DO\n END DO\n END DO\n\nC create V/RhoJ - update ghost regions for RhoJ\n\n CALL SUBST_COMM ( DENSJ, DSPL_N1_E0_S1_W0, DRCN_N_S, COMMSTR )\n\n LOC_VWIND = 0.0 ! array assignment\n DO LVL = 1, MLAYS\n DO ROW = 1, NROWS + 1\n DO COL = 1, NCOLS\n DJ = 0.5*( DENSJ( COL,ROW,LVL ) + DENSJ( COL,ROW-1,LVL ) )\n LOC_VWIND( COL,ROW,LVL ) = VWIND( COL,ROW,LVL ) / DJ\n END DO\n END DO\n END DO\n\nC Compute wind deformation\n \nC initialize deformation arrays\nC deformation at all boundary cells are defined to be zero\n DO L = 1, MLAYS\n DO R = 1, NROWS + 1\n DO C = 1, NCOLS + 1\n DEFORM3D( C,R,L ) = 0.0\n END DO\n END DO\n END DO\n\n CALL SUBST_COMM ( LOC_UWIND, DSPL_N1_E1_S1_W0, DRCN_N_NE_SE_S, '2 0' )\n\n CALL SUBST_COMM ( LOC_VWIND, DSPL_N1_E1_S0_W1, DRCN_NE_E_W_NW, '1 0' )\n\n DO 101 L = 1, MLAYS\n\n DEFMAX = 0.0\nC initialize wind shear components (inner domain only dimensioned)\n DO R = 1, NROWS\n DO C = 1, NCOLS\n DUDX( C,R ) = 0.0\n DUDY( C,R ) = 0.0\n DVDX( C,R ) = 0.0\n DVDY( C,R ) = 0.0\n END DO\n END DO\n\nC ORIGINAL by Daewon October 2000\nC Compute gradients only at inner domain\n! DO R = 1, NROWS\n! DO C = 1, NCOLS\n! C1 = MAX( 1,C-1 )\n! R1 = MAX( 1,R-1 )\n! C2 = MIN( C+1,NCOLS )\n! R2 = MIN( R+1,NROWS )\n\n! DUDX( C,R ) = ( UWIND( C,R,L ) - UWIND( C1,R,L ) ) * RDX1\n! DUDY( C,R ) = ( UWIND( C,R2,L ) - UWIND( C,R1,L ) ) * RDX2O2\n! DVDX( C,R ) = ( VWIND( C2,R,L ) - VWIND( C1,R,L ) ) * RDX1O2\n! DVDY( C,R ) = ( VWIND( C,R,L ) - VWIND( C,R1,L ) ) * RDX2\n! END DO\n! END DO\n\nC SUGGESTED by Avi October 2000\nC for whole domain (DUDX, DVDY)\n DO R = 1, NROWS\n R1 = R + 1\n DO C = 1, NCOLS\n C1 = C + 1\n DUDX(C,R) = ( LOC_UWIND( C1,R,L ) - LOC_UWIND( C,R,L ) ) * RDX1\n DVDY(C,R) = ( LOC_VWIND( C,R1,L ) - LOC_VWIND( C,R,L ) ) * RDX2\n END DO\n END DO\n\n1003 FORMAT( / '@1@Layer', 4X, 'Max Deform',\n & 5X, 'DUDX(4,5)',\n & 5X, 'DUDY(4,5)',\n & 5X, 'DVDX(4,5)',\n & 5X, 'DVDY(4,5)' )\n\nC for DUDY inside domain (compute the gradient of the averages)\n DO R = FRSTROW, LASTROW\n R1 = R + 1\n R2 = R - 1\n DO C = 1, NCOLS\n C1 = C + 1\n UBAR1 = LOC_UWIND( C,R1,L ) + LOC_UWIND( C1,R1,L )\n UBAR2 = LOC_UWIND( C,R2,L ) + LOC_UWIND( C1,R2,L )\n DUDY(C,R) = ( UBAR1 - UBAR2 ) * RDX2O4\n END DO\n END DO\n \nC for DVDX inner domain (compute the gradient of the averages)\n DO R = 1, NROWS\n R1 = R + 1\n DO C = FRSTCOL, LASTCOL\n C1 = C + 1\n C2 = C - 1\n VBAR1 = LOC_VWIND( C1,R1,L ) + LOC_VWIND( C1,R,L )\n VBAR2 = LOC_VWIND( C2,R1,L ) + LOC_VWIND( C2,R,L )\n DVDX(C,R) = ( VBAR1 - VBAR2 ) * RDX1O4\n END DO\n END DO\n\nC DUDY = 0 for R=1 and NROWS for all NCOLS\nC DVDX = 0 for C=1 and NCOLS for all NROWS\n\nC END of section done by Avi\n\nC Deformation only at inner domain\n DO R = 1, NROWS\n DO C = 1, NCOLS\n DF1 = DUDX( C,R ) - DVDY( C,R )\n DF2 = DVDX( C,R ) + DUDY( C,R )\n DEFORM3D( C,R,L ) = SQRT( DF1 * DF1 + DF2 * DF2 ) \n DEFMAX = MAX( DEFMAX, DEFORM3D( C,R,L ) )\n END DO\n END DO\n1005 FORMAT( '@1@ ', I3, 2X, 5( 1PE14.6 ) )\n\n101 CONTINUE ! MLAYS\n\n RETURN\n END\n" }, { "path": "CCTM/src/hdiff/multiscale/hcdiff3d.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE HCDIFF3D ( JDATE, JTIME, K11BAR, K22BAR, DT )\n \nC-----------------------------------------------------------------------\nC Function:\nC Computes the contravariant diffusivities in x1 or x2 directions\nC using a constant physical horizontal diffusivity.\n \nC Preconditions:\nC This routine can only be used for conformal map coordinates \nC in the horizontal.\nC Dates and times should be represented YYYYDDD:HHMMSS.\n \nC Subroutines and functions called:\nC INTERP3, M3EXIT, DEFORM \n \nC Revision history:\nC October 17, 1995 by M. Talat Odman and Clint L. Ingram at NCSC:\nC created for SAQM-type coordinates\n \nC 5 Nov 97 Jeff targetted\n\nC Sep. 1998 David Wong\nC -- parallelize the code\nC -- use GLOBAL_MAX to compute the global max\n\nC 1/19/99 David Wong\nC -- add a loop_index call\nC -- change loop index ending point to avoid accessing invalid region.\nC (reason to do this is to prevent using boundary data from PINTERP,\nC which sets pseudo-boundary data to 0)\n\nC Jul. 8 1999 David Wong\nC -- replace GLOBAL_MAX with GLOBAL_RMAX for naming consistency\nC\nC 10/10/2000 Daewon Byun\nC -- generalized 3d horizontal diffusivity\n\nC 23 Dec 00 J.Young: GLOBAL_RMAX -> Dave Wong's f90 stenex GLOBAL_MAX\nC PE_COMM3 -> Dave Wong's f90 stenex COMM\n\nC 6 Aug 01 J.Young: Use HGRD_DEFN; replace INTERP3 with INTERPX;\nC allocatable arrays\nC 31 Jan 05 J.Young: dyn alloc - establish both horizontal & vertical\nC domain specifications in one module\nC 16 Feb 11 S. Roselle: replaced I/O-API include files w/UTILIO_DEFN\nC 03 Aug 11 David Wong: moved DT calculation outside the loop for efficency\nC purposes\nC 01 Feb 19 David Wong: Implemented centralized I/O approach, removed all MY_N\nC clauses\nC-----------------------------------------------------------------------\n \n USE GRID_CONF ! horizontal & vertical domain specifications\n USE UTILIO_DEFN\n USE CENTRALIZED_IO_MODULE\n#ifdef parallel\n USE SE_MODULES ! stenex (using SE_GLOBAL_MAX_MODULE, SE_COMM_MODULE,\n ! SE_UTIL_MODULE)\n#else\n USE NOOP_MODULES ! stenex (using NOOP_GLOBAL_MAX_MODULE, NOOP_COMM_MODULE,\n ! NOOP_UTIL_MODULE)\n#endif\n\n IMPLICIT NONE\n \nC Includes:\n \n INCLUDE SUBST_CONST ! constants\n INCLUDE SUBST_FILES_ID ! file name parameters\n INCLUDE SUBST_PE_COMM ! PE communication displacement and direction\n\nC Arguments:\n \n INTEGER, INTENT( IN ) :: JDATE ! current model date, coded YYYYDDD\n INTEGER, INTENT( IN ) :: JTIME ! current model time, coded HHMMSS\n ! Contravariant diffusivity\n! REAL K11BAR3D( NCOLS+1,NROWS+1,NLAYS ) ! x1-flux points\n! REAL K22BAR3D( NCOLS+1,NROWS+1,NLAYS ) ! x2-flux points\n REAL, INTENT( OUT ) :: K11BAR( :,:,: ) ! x1-flux points\n REAL, INTENT( OUT ) :: K22BAR( :,:,: ) ! x2-flux points\n REAL, INTENT( OUT ) :: DT ! diffusivity time step\n \nC Parameters:\n \nC Horizontal eddy diffusivity (m^2/s) \n! REAL, PARAMETER :: KH = 3.3E+04 ! From Brost et al., J.Geophys.Res., 1988\n! REAL, PARAMETER :: KH = 50.0 ! For 12 km SARMAP simulation as per SAQM\n REAL, PARAMETER :: KH = 2000.0 ! For 4 km SARMAP simulation as per SAQM\n\n REAL, PARAMETER :: KHMIN = 200.0 ! For min KH assigned for deformation\n REAL, PARAMETER :: DXB = 4000.0\n REAL, PARAMETER :: ALP = 0.28\n\nC \"Courant\" factor = 99%(1/sqrt(2))\n! REAL, PARAMETER :: CFC = 0.700\n REAL, PARAMETER :: CFC = 0.300\n \nC local variables:\n \n CHARACTER( 16 ) :: PNAME = 'HCDIFF3D'\n CHARACTER( 96 ) :: XMSG = ' '\n\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n INTEGER, SAVE :: MLAYS\n \n REAL, SAVE :: DX1, DX2 ! CX x1- and x2-cell widths\n REAL, SAVE :: KHA ! resolution-adjusted base diffusivity\n REAL, SAVE :: ACOEF ! ALP**2 * DX1 * DX2\n REAL KHD ! Deformation induced KH\n REAL DEFORM3D( NCOLS+1,NROWS+1,NLAYS ) ! wind deformation\n\n REAL EDDYH3D ( NCOLS+1,NROWS+1,NLAYS ) ! Contra. diffusivity\n\n REAL EFFKB ! Effective Kbar\n! REAL EKHMAX ! max Contra. diffusivity (diagnos)\n! REAL MS2MAX ! max squared map scale factor (diagnos)\n \n INTEGER ALLOCSTAT\n INTEGER COL, ROW, LVL ! column,row,level indices\n\n INTEGER MY_TEMP\n INTEGER, SAVE :: STARTROW, ENDROW\n INTEGER, SAVE :: STARTCOL, ENDCOL\n \n INTERFACE\n SUBROUTINE DEFORM( JDATE, JTIME, DEFORM3D )\n INTEGER, INTENT( IN ) :: JDATE, JTIME\n REAL, INTENT( OUT ) :: DEFORM3D( :,:,: )\n END SUBROUTINE DEFORM\n END INTERFACE\n\nC-----------------------------------------------------------------------\n \n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n\n MLAYS = SIZE ( K11BAR,3 )\n \n CALL SUBST_LOOP_INDEX ( 'R', 1, NROWS, 1, MY_TEMP, STARTROW, ENDROW )\n\n CALL SUBST_LOOP_INDEX ( 'C', 1, NCOLS, 1, MY_TEMP, STARTCOL, ENDCOL )\n\n IF ( GDTYP_GD .EQ. LATGRD3 ) THEN\n DX1 = DG2M * XCELL_GD ! in m.\n DX2 = DG2M * YCELL_GD\n & * COS( PI180*( YORIG_GD + YCELL_GD * FLOAT( GL_NROWS/2 ))) ! in m.\n ELSE\n DX1 = XCELL_GD ! in m.\n DX2 = YCELL_GD ! in m.\n END IF\n\nC Get map scale factor\n\n KHA = ( DXB * DXB ) / ( DX1 * DX2 ) * KH \n\n ACOEF = ALP * ALP * ( DX1 * DX2 )\n\n END IF ! if firstime\n \nC get wind deformation \n \n CALL DEFORM ( JDATE, JTIME, DEFORM3D )\n\n EDDYH3D = 0.0\n\n DO LVL = 1, MLAYS\n! EKHMAX = 0.0\n DO ROW = STARTROW, ENDROW ! DO ROW = 1, NROWS+1\n DO COL = STARTCOL, ENDCOL ! DO COL = 1, NCOLS+1\n! EDDYH3D( COL,ROW,LVL ) = MSFD2( COL,ROW ) * \n! & ( ACOEF * KHA * DEFORM3D( COL,ROW,LVL ) \n! & / ( KHA + ACOEF * DEFORM3D( COL,ROW,LVL ) ) \n! & + KHMIN )\n! Daewon prefers the following\n KHD = MAX( KHMIN, ACOEF * DEFORM3D( COL,ROW,LVL ) )\n EDDYH3D( COL,ROW,LVL ) = MSFD2( COL,ROW )\n & * KHA * KHD / ( KHA + KHD )\n! EKHMAX = MAX( EKHMAX, EDDYH3D( COL,ROW,LVL ) )\n END DO\n END DO\n END DO\n\n CALL SUBST_COMM ( EDDYH3D, DSPL_N1_E1_S0_W0, DRCN_N_E )\n\nC Obtain flux average values of contravariant diffusivities\n\n EFFKB = 0.0\n DO LVL = 1, MLAYS\n DO ROW = 1, NROWS + 1\n DO COL = 1, NCOLS + 1\n K11BAR( COL,ROW,LVL ) = 0.0\n K22BAR( COL,ROW,LVL ) = 0.0\n END DO\n END DO\n END DO\n\n1003 FORMAT( / '@2@Layer', 5X, 'Time Step', 9X, 'EffKB' )\n\n DO LVL = 1, MLAYS\n DO ROW = 1, NROWS\n DO COL = STARTCOL, ENDCOL\n K11BAR( COL,ROW,LVL ) = 0.5 * ( EDDYH3D( COL,ROW+1,LVL )\n & + EDDYH3D( COL,ROW,LVL ) )\n END DO\n END DO\n DO COL = STARTCOL, ENDCOL\n K11BAR( COL,NROWS+1,LVL ) = 0.0\n END DO\n\n DO ROW = STARTROW, ENDROW\n DO COL = 1, NCOLS\n K22BAR( COL,ROW,LVL ) = 0.5 * ( EDDYH3D( COL,ROW,LVL )\n & + EDDYH3D( COL+1,ROW,LVL ) )\n END DO\n END DO\n DO ROW = STARTROW, ENDROW\n K22BAR( NCOLS+1,ROW,LVL ) = 0.0\n END DO\n\n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n EFFKB = MAX ( EFFKB, \n & K11BAR( COL,ROW,LVL ),\n & K22BAR( COL,ROW,LVL ) )\n END DO\n END DO\n\n! DT = CFC * DX1 * DX2 / SUBST_GLOBAL_MAX ( EFFKB )\n\n1005 FORMAT( '@2@ ', I3, 1X, F18.7, 1X, F12.7 )\n\n END DO ! for LVL\n\n DT = CFC * DX1 * DX2 / SUBST_GLOBAL_MAX ( EFFKB )\n\n RETURN\n END\n" }, { "path": "CCTM/src/hdiff/multiscale/hdiff.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE HDIFF ( CGRID, JDATE, JTIME, TSTEP )\n\nC-----------------------------------------------------------------------\nC Function:\nC Horizontal diffusion with constant eddy diffusivity - gen. coord.\nC The process time step is set equal to TSTEP(2). Boundary concentrations\nC are set using a Dirichlet (no flux) condition\n \nC Preconditions:\nC Dates and times represented YYYYDDD:HHMMSS.\nC No \"skipped\" dates and times. All boundary input variables have the\nC same boundary perimeter structure with a thickness of 1\nC CGRID in ppm units or micro-g/m**3, #/m**3 for aerosols\n \nC Subroutines and functions called:\nC TIME2SEC, SEC2TIME, CGRID_MAP, NEXTIME, RHO_J, \nC HCDIFF3D\n \nC Revision history:\nC Jeff - 5 Nov 97, 1 Jan 98\nC DWB - 1 Feb 98, use simple B/C (no conc gradient at domain boundary)\n\nC David Wong Sep. 1998\nC -- parallelized the code\nC -- removed the intermediate constant CRHOJ_Q and placed the answer of\nC the calculation directly into CGRID. Removed the next immediate\nC loop completely.\n\nC David Wong 1/19/99\nC -- add a loop_index call\nC -- change loop index ending point to avoid accessing invalid region.\nC (reason to do this is to prevent using boundary data from PINTERP,\nC which sets pseudo-boundary data to 0)\n \nC Daewon Byun 10/10/2000\nC -- generalized 3d horizontal diffusivity module\nC -- accomdates 3d hdiff values\n\nC 15 Dec 00 J.Young: PE_COMM3 -> Dave Wong's f90 stenex COMM \nC 6 Aug 01 J.Young: Use HGRD_DEFN\nC 25 Mar 04 G.Hammond: RK11/RK22 ghost cell updates moved outside main loop;\nC use explicit boundary arrays for CGRID ghost cells;\nC use SNL's \"swap3d\".\nC 31 Jan 05 J.Young: dyn alloc - establish both horizontal & vertical\nC domain specifications in one module\nC 17 Dec 09 J.Young: fix CONC initializing error for sub-cycling timesteps (DO 344)\nC reported by Talat Odman and Yongtao Hu of GA tech.\nC 21 Jun 10 J.Young: convert for Namelist redesign\nC 16 Feb 11 S. Roselle: replaced I/O-API include files w/UTILIO_DEFN\nC 11 May 11 D.Wong: incorporated twoway model implementation\nC 29 Nov 17 D.Wong: removed all SWAP routines and replaced with SE_COMM\nC 18 Nov 18 S. Napelenok: ISAM implementation\nC 01 Feb 19 David Wong: removed all MY_N clauses\nC 11 Dec 19 S.L.Napelenok: ddm-3d implementation for version 5.3.1\nC-----------------------------------------------------------------------\n \n USE GRID_CONF ! horizontal & vertical domain specifications\n USE CGRID_SPCS ! CGRID mechanism species\n USE UTILIO_DEFN\n\n#ifdef parallel\n USE SE_MODULES ! stenex (using SE_COMM_MODULE, SE_UTIL_MODULE)\n#else\n USE NOOP_MODULES ! stenex (using NOOP_COMM_MODULE, NOOP_UTIL_MODULE)\n#endif\n\n#ifdef isam\n USE SA_DEFN, Only: ISAM, N_SPCTAG, S_SPCTAG, T_SPCTAG, TRANSPORT_SPC\n#endif\n\n#ifdef sens\n USE DDM3D_DEFN, ONLY: SENGRID, NPMAX, NP\n#endif\n\n IMPLICIT NONE\n\nC Includes:\n\n INCLUDE SUBST_CONST ! constants\n INCLUDE SUBST_PE_COMM ! PE communication displacement and direction\n\nC Arguments:\n \n REAL, POINTER :: CGRID( :,:,:,: )\n INTEGER, INTENT( IN ) :: JDATE ! current model date, coded YYYYDDD\n INTEGER, INTENT( IN ) :: JTIME ! current model time, coded HHMMSS\n INTEGER, INTENT( IN ) :: TSTEP( 3 ) ! time step vector (HHMMSS)\n ! TSTEP(1) = local output step\n ! TSTEP(2) = sciproc sync. step (chem)\n ! TSTEP(3) = twoway model time step w.r.t. wrf time\n ! step and wrf/cmaq call frequency\n\nC External Functions: None\n \nC Parameters:\n\nC Advected species dimension\n\n INTEGER, SAVE :: N_SPC_DIFF\n \nC File Variables:\n \n REAL CONC ( 0:NCOLS+1,0:NROWS+1 ) ! conc working array\n REAL RHOJ ( 0:NCOLS+1,0:NROWS+1,NLAYS ) ! density X Jacobian\n CHARACTER( 8 ), SAVE :: COMMSTR ! for both CONC and RHOJ\n REAL RK11 ( NCOLS+1,NROWS+1,NLAYS ) ! initially used as RHOJ\n ! at x1 cell face, then finally as 11 eddy diff. factor\n REAL RK22 ( NCOLS+1,NROWS+1,NLAYS ) ! initially used as RHOJ\n ! at x2 cell face, then finally as 22 eddy diff. factor\n REAL K11BAR3D ( NCOLS+1,NROWS+1,NLAYS ) ! ave. Cx11 eddy diff\n REAL K22BAR3D ( NCOLS+1,NROWS+1,NLAYS ) ! ave. Cx22 eddy diff\n REAL DT ! diffusion time step\n REAL CRHOJ_Q ! intermediate, coupled conc.\n\nC Local Variables:\n\n CHARACTER( 16 ) :: PNAME = 'HDIFF'\n \n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n\n REAL DX1 ! dx1 (meters)\n REAL DX2 ! dx2 (meters)\n REAL, SAVE :: RDX1S ! reciprocal dx1*dx1\n REAL, SAVE :: RDX2S ! reciprocal dx2*dx2\n \n REAL DTDX1S ! dt/dx1**2\n REAL DTDX2S ! dt/dx2**2\n REAL DTSEC ! model time step in seconds\n INTEGER NSTEPS ! diffusion time steps\n INTEGER STEP ! FIX dt\n INTEGER FDATE ! interpolation date\n INTEGER FTIME ! interpolation time\n\n REAL, ALLOCATABLE, SAVE :: HALO_SOUTH( :,:,: )\n REAL, ALLOCATABLE, SAVE :: HALO_NORTH( :,:,: )\n REAL, ALLOCATABLE, SAVE :: HALO_WEST ( :,:,: )\n REAL, ALLOCATABLE, SAVE :: HALO_EAST ( :,:,: )\n REAL, ALLOCATABLE, SAVE :: BUF_NS ( :,:,: )\n REAL, ALLOCATABLE, SAVE :: BUF_EW ( :,:,: )\n\n INTEGER, ALLOCATABLE, SAVE :: DIFF_MAP( : ) ! global diff map to CGRID\n\n INTEGER C, R, L, S, V, N ! loop counters\n INTEGER D2C, IOS\n\n CHARACTER( 96 ) :: XMSG = ' '\n \n INTEGER MY_TEMP\n INTEGER, SAVE :: STARTROW, ENDROW\n INTEGER, SAVE :: STARTCOL, ENDCOL\n\n#ifdef isam\n INTEGER JSPCTAG\n REAL SA_CONC ( 0:NCOLS+1,0:NROWS+1 ) ! sa_conc working array\n REAL, ALLOCATABLE, SAVE :: SA_HALO_SOUTH( :,:,: )\n REAL, ALLOCATABLE, SAVE :: SA_HALO_NORTH( :,:,: )\n REAL, ALLOCATABLE, SAVE :: SA_HALO_WEST ( :,:,: )\n REAL, ALLOCATABLE, SAVE :: SA_HALO_EAST ( :,:,: )\n REAL, ALLOCATABLE, SAVE :: SA_BUF_NS ( :,:,: )\n REAL, ALLOCATABLE, SAVE :: SA_BUF_EW ( :,:,: )\n#endif\n\n#ifdef sens\n REAL, ALLOCATABLE, SAVE :: S_HALO_SOUTH( :,:,:,: ) ! ( NCOLS,NLAYS,N_SPC_DIFF,NPMAX )\n REAL, ALLOCATABLE, SAVE :: S_HALO_NORTH( :,:,:,: ) ! ( NCOLS,NLAYS,N_SPC_DIFF,NPMAX )\n REAL, ALLOCATABLE, SAVE :: S_HALO_WEST ( :,:,:,: ) ! ( NROWS,NLAYS,N_SPC_DIFF,NPMAX )\n REAL, ALLOCATABLE, SAVE :: S_HALO_EAST ( :,:,:,: ) ! ( NROWS,NLAYS,N_SPC_DIFF,NPMAX )\n REAL, ALLOCATABLE, SAVE :: S_BUF_NS ( :,:,:,: ) ! ( NCOLS,NLAYS,N_SPC_DIFF,NPMAX )\n REAL, ALLOCATABLE, SAVE :: S_BUF_EW ( :,:,:,: ) ! ( NROWS,NLAYS,N_SPC_DIFF,NPMAX )\n REAL SENSWORK ( 0:NCOLS+1,0:NROWS+1,NPMAX ) ! sens working array\n#endif\n\n\n\n INTERFACE\n SUBROUTINE RHO_J ( JDATE, JTIME, TSTEP, RHOJ )\n INTEGER, INTENT( IN ) :: JDATE, JTIME, TSTEP( 3 )\n REAL, INTENT( OUT ) :: RHOJ( :,:,: )\n END SUBROUTINE RHO_J\n SUBROUTINE HCDIFF3D ( JDATE, JTIME, K11BAR, K22BAR, DT )\n INTEGER, INTENT( IN ) :: JDATE, JTIME\n REAL, INTENT( OUT ) :: K11BAR( :,:,: ), K22BAR( :,:,: )\n REAL, INTENT( OUT ) :: DT\n END SUBROUTINE HCDIFF3D\n END INTERFACE\n \nC-----------------------------------------------------------------------\n\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n\nC Get dx1 from COORD include file\n\n IF ( GDTYP_GD .EQ. LATGRD3 ) THEN\n DX1 = DG2M * XCELL_GD\n & * COS( PI180*( YORIG_GD + YCELL_GD*FLOAT( GL_NROWS/2 ))) ! in m.\n DX2 = DG2M * YCELL_GD ! in m.\n ELSE\n DX1 = XCELL_GD ! in m.\n DX2 = YCELL_GD ! in m.\n END IF\n\n RDX1S = 1.0 / ( DX1 * DX1 )\n RDX2S = 1.0 / ( DX2 * DX2 )\n\n N_SPC_DIFF = N_GC_TRNS + N_AE_TRNS + N_NR_TRNS + N_TR_DIFF\n\n ALLOCATE ( HALO_SOUTH( NCOLS,NLAYS,N_SPC_DIFF ),\n & HALO_NORTH( NCOLS,NLAYS,N_SPC_DIFF ),\n & HALO_WEST ( NROWS,NLAYS,N_SPC_DIFF ),\n & HALO_EAST ( NROWS,NLAYS,N_SPC_DIFF ),\n & BUF_NS ( NCOLS,NLAYS,N_SPC_DIFF ),\n & BUF_EW ( NROWS,NLAYS,N_SPC_DIFF ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n XMSG = 'Failure allocating HALO_SOUTH, HALO_NORTH, HALO_WEST, HALO_EAST, BUF_NS, or BUF_EW'\n CALL M3EXIT ( PNAME, FDATE, FTIME, XMSG, XSTAT1 )\n END IF\n\n#ifdef isam\n ALLOCATE ( SA_HALO_SOUTH( NCOLS,NLAYS,N_SPCTAG ),\n & SA_HALO_NORTH( NCOLS,NLAYS,N_SPCTAG ),\n & SA_HALO_WEST ( NROWS,NLAYS,N_SPCTAG ),\n & SA_HALO_EAST ( NROWS,NLAYS,N_SPCTAG ),\n & SA_BUF_NS ( NCOLS,NLAYS,N_SPCTAG ),\n & SA_BUF_EW ( NROWS,NLAYS,N_SPCTAG ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n XMSG = 'Failure allocating SA_HALO_SOUTH, SA_HALO_NORTH,'\n & // ' SA_HALO_WEST, SA_HALO_EAST, SA_BUF_NS, or SA_BUF_EW'\n CALL M3EXIT ( PNAME, FDATE, FTIME, XMSG, XSTAT1 )\n END IF\n#endif\n\n#ifdef sens\n ALLOCATE ( S_HALO_SOUTH( NCOLS,NLAYS,N_SPC_DIFF,NPMAX ),\n & S_HALO_NORTH( NCOLS,NLAYS,N_SPC_DIFF,NPMAX ),\n & S_HALO_WEST ( NROWS,NLAYS,N_SPC_DIFF,NPMAX ),\n & S_HALO_EAST ( NROWS,NLAYS,N_SPC_DIFF,NPMAX ),\n & S_BUF_NS ( NCOLS,NLAYS,N_SPC_DIFF,NPMAX ),\n & S_BUF_EW ( NROWS,NLAYS,N_SPC_DIFF,NPMAX ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n XMSG = 'Failure allocating S_HALO_SOUTH, S_HALO_NORTH,'\n & // ' S_HALO_WEST, S_HALO_EAST, S_BUF_NS, or S_BUF_EW'\n CALL M3EXIT ( PNAME, FDATE, FTIME, XMSG, XSTAT1 )\n END IF\n#endif\n\n\n ALLOCATE ( DIFF_MAP( N_SPC_DIFF ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n XMSG = 'Failure allocating DIFF_MAP'\n CALL M3EXIT ( PNAME, FDATE, FTIME, XMSG, XSTAT1 )\n END IF\n\nC Create global map to CGRID\n \n S = 0\n DO V = 1, N_GC_TRNS\n S = S + 1\n DIFF_MAP( S ) = GC_STRT - 1 + GC_TRNS_MAP( V )\n END DO\n DO V = 1, N_AE_TRNS\n S = S + 1\n DIFF_MAP( S ) = AE_STRT - 1 + AE_TRNS_MAP( V )\n END DO\n DO V = 1, N_NR_TRNS\n S = S + 1\n DIFF_MAP( S ) = NR_STRT - 1 + NR_TRNS_MAP( V )\n END DO\n DO V = 1, N_TR_DIFF\n S = S + 1\n DIFF_MAP( S ) = TR_STRT - 1 + TR_DIFF_MAP( V )\n END DO\n \nC Get file start and end indices for subdomain\n \n CALL SUBST_LOOP_INDEX ( 'C', 1, NCOLS, 1, MY_TEMP, STARTCOL, ENDCOL )\n CALL SUBST_LOOP_INDEX ( 'R', 1, NROWS, 1, MY_TEMP, STARTROW, ENDROW )\n\n WRITE( COMMSTR,'(4I2)' ) 1, 0, 2, 0\n\n END IF ! if firstime\n \n DTSEC = FLOAT( TIME2SEC( TSTEP( 2 ) ) )\n FDATE = JDATE\n FTIME = JTIME\n \nC Get the computational grid ( rho X Jacobian ) for this step\n\n CALL RHO_J ( FDATE, FTIME, TSTEP, RHOJ )\n\n CALL SUBST_COMM ( RHOJ, DSPL_N0_E0_S1_W1, DRCN_S_W, COMMSTR )\n\nC initialize RK11, RK22 with face values for RHOJ (assumes dx1 = dx2)\n\n RK11 = 0.0 ! array assignment\n RK22 = 0.0 ! array assignment\n DO L = 1, NLAYS\n DO R = STARTROW, ENDROW ! DO R = 1, NROWS + 1\n DO C = STARTCOL, ENDCOL ! DO C = 1, NCOLS + 1\n RK11( C,R,L ) = 0.5 * ( RHOJ( C,R,L ) + RHOJ( C-1,R, L ) )\n RK22( C,R,L ) = 0.5 * ( RHOJ( C,R,L ) + RHOJ( C, R-1,L ) )\n END DO\n END DO\n END DO\n\nC Do the gridded computation for horizontal diffusion\n\nC Get the contravariant eddy diffusivities\n\n CALL HCDIFF3D ( FDATE, FTIME, K11BAR3D, K22BAR3D, DT )\n\nC get number of steps based on eddy time \n \n NSTEPS = INT ( DTSEC / DT ) + 1\n DT = DTSEC / FLOAT( NSTEPS )\n \n DTDX1S = DT * RDX1S\n DTDX2S = DT * RDX2S\n\n DO L = 1, NLAYS\n DO R = STARTROW, ENDROW ! DO R = 1, NROWS + 1\n DO C = STARTCOL, ENDCOL ! DO C = 1, NCOLS + 1\n RK11( C,R,L ) = RK11( C,R,L ) * K11BAR3D( C,R,L )\n RK22( C,R,L ) = RK22( C,R,L ) * K22BAR3D( C,R,L )\n END DO\n END DO\n END DO\n\n CALL SUBST_COMM ( RK11, DSPL_N0_E1_S0_W0, DRCN_E )\n CALL SUBST_COMM ( RK22, DSPL_N1_E0_S0_W0, DRCN_N )\n\n DO S = 1, N_SPC_DIFF\n D2C = DIFF_MAP( S )\n DO L = 1, NLAYS\n DO C = 1, NCOLS\n HALO_SOUTH( C,L,S ) = CGRID( C,1,L,D2C ) / RHOJ( C,1,L )\n HALO_NORTH( C,L,S ) = CGRID( C,NROWS,L,D2C ) / RHOJ( C,NROWS,L )\n BUF_NS( C,L,S ) = HALO_NORTH( C,L,S )\n END DO\n END DO\n END DO\n\n CALL SUBST_COMM (HALO_SOUTH, HALO_NORTH, DSPL_N1_E0_S0_W0, DRCN_N)\n CALL SUBST_COMM (BUF_NS, HALO_SOUTH, DSPL_N0_E0_S1_W0, DRCN_S)\n\n#ifdef sens\n DO NP = 1, NPMAX\n\n DO S = 1, N_SPC_DIFF\n D2C = DIFF_MAP( S )\n DO L = 1, NLAYS\n DO C = 1, NCOLS\n S_HALO_SOUTH( C,L,S,NP ) = SENGRID( C,1,L,NP,D2C ) / RHOJ( C,1,L )\n S_HALO_NORTH( C,L,S,NP ) = SENGRID( C,NROWS,L,NP,D2C ) / RHOJ( C,NROWS,L )\n S_BUF_NS( C,L,S,NP ) = S_HALO_NORTH( C,L,S,NP )\n END DO\n END DO\n END DO\n\n CALL SUBST_COMM (S_HALO_SOUTH(:,:,:,NP), S_HALO_NORTH(:,:,:,NP),\n & DSPL_N1_E0_S0_W0, DRCN_N)\n CALL SUBST_COMM (S_BUF_NS(:,:,:,NP), S_HALO_SOUTH(:,:,:,NP),\n & DSPL_N0_E0_S1_W0, DRCN_S)\n\n END DO\n#endif\n\n DO S = 1, N_SPC_DIFF\n D2C = DIFF_MAP( S )\n DO L = 1, NLAYS\n DO R = 1, NROWS\n HALO_WEST( R,L,S ) = CGRID( 1,R,L,D2C ) / RHOJ( 1,R,L )\n HALO_EAST( R,L,S ) = CGRID( NCOLS,R,L,D2C ) / RHOJ( NCOLS,R,L )\n BUF_EW( R,L,S ) = HALO_EAST( R,L,S )\n END DO\n END DO\n END DO\n\n CALL SUBST_COMM (HALO_WEST, HALO_EAST, DSPL_N0_E1_S0_W0, DRCN_E)\n CALL SUBST_COMM (BUF_EW, HALO_WEST, DSPL_N0_E0_S0_W1, DRCN_W)\n\n#ifdef sens\n DO NP = 1, NPMAX\n\n DO S = 1, N_SPC_DIFF\n D2C = DIFF_MAP( S )\n DO L = 1, NLAYS\n DO R = 1, NROWS\n S_HALO_WEST( R,L,S,NP ) = SENGRID( 1,R,L,NP,D2C ) / RHOJ( 1,R,L )\n S_HALO_EAST( R,L,S,NP ) = SENGRID( NCOLS,R,L,NP,D2C ) / RHOJ( NCOLS,R,L )\n S_BUF_EW( R,L,S,NP ) = S_HALO_EAST( R,L,S,NP )\n END DO\n END DO\n END DO\n\n CALL SUBST_COMM (S_HALO_WEST(:,:,:,NP), S_HALO_EAST(:,:,:,NP),\n & DSPL_N0_E1_S0_W0, DRCN_E)\n CALL SUBST_COMM (S_BUF_EW(:,:,:,NP), S_HALO_WEST(:,:,:,NP),\n & DSPL_N0_E0_S0_W1, DRCN_W)\n\n END DO\n#endif\n\n#ifdef isam\n DO JSPCTAG = 1, N_SPCTAG\n DO L = 1, NLAYS\n DO C = 1, NCOLS\n SA_HALO_SOUTH( C,L,JSPCTAG ) =\n & ISAM( C,1,L,S_SPCTAG( JSPCTAG ),T_SPCTAG( JSPCTAG ) ) / RHOJ( C,1,L )\n SA_HALO_NORTH( C,L,JSPCTAG ) =\n & ISAM( C,NROWS,L,S_SPCTAG( JSPCTAG ),T_SPCTAG( JSPCTAG ) ) / RHOJ( C,NROWS,L )\n SA_BUF_NS( C,L,JSPCTAG ) = SA_HALO_NORTH( C,L,JSPCTAG )\n END DO\n END DO\n END DO\n\n CALL SUBST_COMM (SA_HALO_SOUTH, SA_HALO_NORTH, DSPL_N1_E0_S0_W0, DRCN_N)\n CALL SUBST_COMM (SA_BUF_NS, SA_HALO_SOUTH, DSPL_N0_E0_S1_W0, DRCN_S)\n\n DO JSPCTAG = 1, N_SPCTAG\n DO L = 1, NLAYS\n DO R = 1, NROWS\n SA_HALO_WEST( R,L,JSPCTAG ) =\n & ISAM( 1,R,L,S_SPCTAG( JSPCTAG ),T_SPCTAG( JSPCTAG ) ) / RHOJ( 1,R,L )\n SA_HALO_EAST( R,L,JSPCTAG ) =\n & ISAM( NCOLS,R,L,S_SPCTAG( JSPCTAG ),T_SPCTAG( JSPCTAG ) ) / RHOJ( NCOLS,R,L )\n SA_BUF_EW( R,L,JSPCTAG ) = SA_HALO_EAST( R,L,JSPCTAG )\n END DO\n END DO\n END DO\n\n CALL SUBST_COMM (SA_HALO_WEST, SA_HALO_EAST, DSPL_N0_E1_S0_W0, DRCN_E)\n CALL SUBST_COMM (SA_BUF_EW, SA_HALO_WEST, DSPL_N0_E0_S0_W1, DRCN_W)\n\n#endif\n\nC Loop over species, layers, nsteps\n\n DO 366 S = 1, N_SPC_DIFF\n D2C = DIFF_MAP( S )\n\n DO 355 L = 1, NLAYS\n\n DO 344 N = 1, NSTEPS\n\nC Load working array (CGRID is coupled, CONC is mixing ratio)\n\n DO R = 1, NROWS\n DO C = 1, NCOLS\n CONC( C,R ) = CGRID( C,R,L,D2C ) / RHOJ( C,R,L )\n END DO\n END DO\n\n#ifdef sens\n DO NP = 1, NPMAX\n DO R = 1, NROWS\n DO C = 1, NCOLS\n SENSWORK( C,R,NP ) = SENGRID( C,R,L,NP,D2C ) / RHOJ( C,R,L )\n END DO\n END DO\n END DO\n#endif\n\n DO C = 1, NCOLS\n CONC( C,0 ) = HALO_SOUTH( C,L,S )\n CONC( C,NROWS+1 ) = HALO_NORTH( C,L,S )\n END DO\n\n DO R = 1, NROWS\n CONC( 0,R ) = HALO_WEST( R,L,S )\n CONC( NCOLS+1,R ) = HALO_EAST( R,L,S )\n END DO\n\n#ifdef sens\n DO NP = 1, NPMAX\n DO C = 1, NCOLS\n SENSWORK( C,0,NP ) = S_HALO_SOUTH( C,L,S,NP )\n SENSWORK( C,NROWS+1,NP ) = S_HALO_NORTH( C,L,S,NP )\n END DO\n\n DO R = 1, NROWS\n SENSWORK( 0,R,NP ) = S_HALO_WEST( R,L,S,NP )\n SENSWORK( NCOLS+1,R,NP ) = S_HALO_EAST( R,L,S,NP )\n END DO\n END DO\n#endif\n\nC Update CGRID\n\n DO R = 1, NROWS\n DO C = 1, NCOLS\n\n CGRID( C,R,L,D2C ) = RHOJ( C,R,L ) * CONC( C,R )\n & + DTDX1S\n & * ( RK11( C+1,R,L )\n & * ( CONC( C+1,R ) - CONC( C,R ) )\n & - RK11( C,R,L )\n & * ( CONC( C,R ) - CONC( C-1,R ) ) )\n & + DTDX2S\n & * ( RK22( C,R+1,L )\n & * ( CONC( C,R+1 ) - CONC( C,R ) )\n & - RK22( C,R,L )\n & * ( CONC( C,R ) - CONC( C,R-1 ) ) )\n\n#ifdef sens\n DO NP = 1, NPMAX\n SENGRID( C,R,L,NP,D2C ) = RHOJ( C,R,L ) * SENSWORK( C,R,NP )\n & + DTDX1S\n & * ( RK11( C+1,R,L )\n & * ( SENSWORK( C+1,R,NP ) - SENSWORK( C,R,NP ) )\n & - RK11( C,R,L )\n & * ( SENSWORK( C,R,NP ) - SENSWORK( C-1,R,NP )))\n & + DTDX2S\n & * ( RK22( C,R+1,L )\n & * ( SENSWORK( C,R+1,NP ) - SENSWORK( C,R,NP ) )\n & - RK22( C,R,L )\n & * ( SENSWORK( C,R,NP ) - SENSWORK( C,R-1,NP )))\n END DO\n\n#endif\n END DO\n END DO\n\n344 CONTINUE\n\n355 CONTINUE\n366 CONTINUE\n\n#ifdef isam\n DO 766 JSPCTAG = 1, N_SPCTAG\n IF( TRANSPORT_SPC( JSPCTAG ) )THEN\n DO 755 L = 1, NLAYS\n DO 744 N = 1, NSTEPS\n\nC Load working array (ISAM is coupled, SA_CONC is mixing ratio)\n\n DO R = 1, NROWS\n DO C = 1, NCOLS\n SA_CONC( C,R ) =\n & ISAM( C,R,L,S_SPCTAG(JSPCTAG),T_SPCTAG(JSPCTAG) ) / RHOJ( C,R,L )\n END DO ! C\n END DO ! R\n\nC Fill 4 boundaries of working array SA_CONC: south, north, west, east\n DO C = 1, NCOLS\n SA_CONC( C,0 ) = SA_HALO_SOUTH( C,L,JSPCTAG )\n SA_CONC( C,NROWS+1 ) = SA_HALO_NORTH( C,L,JSPCTAG )\n END DO ! C\n\n DO R = 1, NROWS\n SA_CONC( 0,R ) = SA_HALO_WEST( R,L,JSPCTAG )\n SA_CONC( NCOLS+1,R ) = SA_HALO_EAST( R,L,JSPCTAG )\n END DO ! R\n\nC Update ISAM\n DO R = 1, NROWS\n DO C = 1, NCOLS\n ISAM( C,R,L,S_SPCTAG(JSPCTAG),T_SPCTAG(JSPCTAG) ) =\n & RHOJ( C,R,L ) * SA_CONC( C,R )\n & + DTDX1S\n & * ( RK11( C+1,R,L )\n & * ( SA_CONC( C+1,R ) - SA_CONC( C,R ) )\n & - RK11( C,R,L )\n & * ( SA_CONC( C,R ) - SA_CONC( C-1,R ) ) )\n & + DTDX2S\n & * ( RK22( C,R+1,L )\n & * ( SA_CONC( C,R+1 ) - SA_CONC( C,R ) )\n & - RK22( C,R,L )\n & * ( SA_CONC( C,R ) - SA_CONC( C,R-1 ) ) )\n\n END DO\n END DO\n\n744 CONTINUE\n755 CONTINUE\n END IF\n766 CONTINUE\n#endif\n\n\n RETURN\n\n1001 FORMAT( 5X, 'Negative concentrations reset to', 1PE11.3 )\n1003 FORMAT( 1X, 4I7, 9X, 1PE11.3)\n\n END\n" }, { "path": "CCTM/src/hdiff/multiscale/rho_j.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/CCTM/src/hdiff/multiscale/rho_j.F,v 1.5 2011/10/21 16:11:22 yoj Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE RHO_J ( JDATE, JTIME, TSTEP, RHOJI )\n \nC-----------------------------------------------------------------------\nC Function:\nC Get Air Density X SqRDMT for computational grid including boundary\nC where SqRDMT = Sq. Root [det ( metric tensor )]\nC = Jacobian / (map scale factor)**2\n \nC Preconditions:\nC Can be used only for conformal map coordinates in the horizontal.\nC Dates and times should be represented YYYYDDD:HHMMSS.\n \nC Subroutines and functions called:\nC INTERP3, M3EXIT, TIME2SEC, SEC2TIME, NEXTIME, CHECK3\n \nC Revision history:\nC 5 Nov 97 Jeff\n\nC Sep. 1998 David Wong\nC -- parallelized the code\nC -- removed the indirect index reference\n\nC 6 Aug 01 J.Young: dyn alloc - Use HGRD_DEFN; replace INTERP3 with\nC INTERPX and INTERPB; allocatable arrays ...\nC Since F90 does not preserve dummy argument array\nC indices, RHOJI( 1:NCOLS+2,, ) is copied into local array\nC RHOJI( 0:NCOLS+1,, ).\nC The caller of RHO_J dimensions the actual argument,\nC as RHOJ( 0:NCOLS+1,, ).\nC NOTE: NTHIK must be = 1\nC 31 Jan 05 J.Young: dyn alloc - establish both horizontal & vertical\nC domain specifications in one module\nC 16 Feb 11 S. Roselle: replaced I/O-API include files w/UTILIO_DEFN\nC 11 May 11 D.Wong: incorporated twoway model implementation\nC 28 Jul 11 David Wong: set REVERT to .false. for twoway model case since\nC buffered file has only two time steps data\nC 1 Feb 19 David Wong: Implemented centralized I/O approach, removed all MY_N\nC clauses\nC 1 Aug 19 David Wong: Bug fixed -calling interpolate_var use RHOJ rather \nC than DENSJ_BUF in WINDOW scenario\nC-----------------------------------------------------------------------\n \n USE GRID_CONF ! horizontal & vertical domain specifications\n USE UTILIO_DEFN\n use CENTRALIZED_IO_MODULE\n\n IMPLICIT NONE\n\nC Includes:\n \n! INCLUDE SUBST_HGRD_ID ! horizontal dimensioning parameters\n! INCLUDE SUBST_VGRD_ID ! horizontal dimensioning parameters\n INCLUDE SUBST_FILES_ID ! file name parameters\n \nC Parameters\n\nC Arguments:\n \n INTEGER, INTENT( IN ) :: JDATE ! current model date, coded YYYYDDD\n INTEGER, INTENT( IN ) :: JTIME ! current model time, coded HHMMSS\n INTEGER, INTENT( IN ) :: TSTEP( 3 ) ! time step vector (HHMMSS)\n ! TSTEP(1) = local output step\n ! TSTEP(2) = sciproc sync. step (chem)\n ! TSTEP(3) = twoway model time step w.r.t. wrf time\n ! step and wrf/cmaq call frequency\n! REAL RHOJ( 0:NCOLS+1,0:NROWS+1,NLAYS ) ! Jacobian * air density\n REAL, INTENT( OUT ) :: RHOJI( :,:,: )\n \nC Parameters:\n\n! INTEGER, PARAMETER :: NTHIN = NTHIK - 1\n\nC file variables:\n \n! REAL DENSJ_BUF( NCOLS,NROWS,NLAYS ) ! Jacobian * air density\n! REAL DENSJ_BND( NBNDY,NLAYS ) ! boundary Jacobian * air density\n REAL, ALLOCATABLE :: DENSJ_BUF( :,:,: ) ! Jacobian * air density\n REAL, ALLOCATABLE :: DENSJ_BND( :,: ) ! boundary Jacobian * air density\n \nC External Functions: None\n \nC local variables:\n \n CHARACTER( 16 ) :: VNAME\n CHARACTER( 16 ) :: PNAME = 'RHO_J'\n CHARACTER( 16 ) :: AMSG\n CHARACTER( 96 ) :: XMSG = ' '\n \n REAL, ALLOCATABLE :: RHOJ( :,:,: )\n\n INTEGER, SAVE :: MLAYS\n\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n \n INTEGER ALLOCSTAT\n INTEGER COL, ROW, LVL ! column, row, layer indices\n INTEGER MDATE ! mid-advection date\n INTEGER MTIME ! mid-advection time\n INTEGER STEP ! advection time step in seconds\n INTEGER, SAVE :: LDATE( 2 ) ! last date for data on file\n INTEGER, SAVE :: LTIME( 2 ) ! last time for data on file\n LOGICAL REVERT ! recover last time step if true\n \n INTEGER COUNT\n\n INTEGER, SAVE :: LCB, HCB, LRB, HRB ! convenience pointers\n\nC-----------------------------------------------------------------------\n \n IF ( FIRSTIME ) THEN\n \n FIRSTIME = .FALSE.\n \n LCB = 1 - NTHIK\n HCB = NCOLS + NTHIK\n LRB = 1 - NTHIK\n HRB = NROWS + NTHIK\n MLAYS = SIZE ( RHOJI,3 )\n\n CALL LSTEPF( MET_CRO_3D, LDATE( 1 ), LTIME( 1 ) )\n! CALL LSTEPF( MET_BDY_3D, LDATE( 2 ), LTIME( 2 ) )\n\n! LDATE( 1 ) = MIN( LDATE( 1 ), LDATE( 2 ) )\n! LTIME( 1 ) = SEC2TIME( MIN(\n! & TIME2SEC( LTIME( 1 ) ),\n! & TIME2SEC( LTIME( 2 ) )\n! & ) )\n\n END IF ! if firstime\n \n MDATE = JDATE\n MTIME = JTIME\n STEP = TIME2SEC( TSTEP( 2 ) )\n CALL NEXTIME( MDATE, MTIME, SEC2TIME( STEP / 2 ) )\n\n#ifdef twoway\n REVERT = .FALSE.\n#else\n IF ( MDATE .LT. LDATE( 1 ) ) THEN\n REVERT = .FALSE.\n ELSE IF ( MDATE .EQ. LDATE( 1 ) ) THEN\n IF ( MTIME .LE. LTIME( 1 ) ) THEN\n REVERT = .FALSE.\n ELSE\n REVERT = .TRUE.\n END IF\n ELSE ! MDATE .GT. LDATE\n REVERT = .TRUE.\n END IF\n#endif\n\n IF ( REVERT ) THEN\n XMSG = 'Current scenario interpolation step not available in both '\n & // TRIM( MET_CRO_3D ) // 'and '\n & // TRIM( MET_BDY_3D )\n CALL M3MESG( XMSG )\n! CALL NEXTIME( MDATE, MTIME, -SEC2TIME( STEP / 2 ) )\n WRITE( AMSG,'( 2I8 )' ) LDATE( 1 ), LTIME( 1 )\n XMSG = 'Using data for last file step: ' // AMSG\n CALL M3MESG( XMSG )\n MDATE = LDATE( 1 )\n MTIME = LTIME( 1 )\n END IF\n \nC Interpolate Jacobian X Air Density\n\n ALLOCATE ( RHOJ( LCB:HCB,LRB:HRB,MLAYS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating RHOJ'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n IF ( WINDOW ) THEN\n\n call interpolate_var ('DENSA_J', mdate, mtime, RHOJ)\n\n ELSE ! need to extend data from bndy file\n\n ALLOCATE ( DENSJ_BUF( ncols,nrows,NLAYS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating DENSJ_BUF'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n call interpolate_var ('DENSA_J', mdate, mtime, DENSJ_BUF)\n\n ALLOCATE ( DENSJ_BND( NBNDY,MLAYS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating DENSJ_BND'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n call interpolate_var ('DENSA_J', mdate, mtime, DENSJ_BND, 'b')\n\nC Load core of RHOJ array\n\n DO LVL = 1, MLAYS\n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n RHOJ( COL,ROW,LVL ) = DENSJ_BUF( COL,ROW,LVL )\n END DO\n END DO\n END DO\n\nC Fill in DENSJ array for boundaries\n\n DO LVL = 1, MLAYS\n COUNT = 0\n DO ROW = 1-NTHIK, 0\n DO COL = 1, NCOLS+NTHIK\n COUNT = COUNT + 1\n RHOJ( COL,ROW,LVL ) = DENSJ_BND( COUNT,LVL ) ! South\n END DO\n END DO\n DO ROW = 1, NROWS+NTHIK\n DO COL = NCOLS+1, NCOLS+NTHIK\n COUNT = COUNT + 1\n RHOJ( COL,ROW,LVL ) = DENSJ_BND( COUNT,LVL ) ! East\n END DO\n END DO\n DO ROW = NROWS+1, NROWS+NTHIK\n DO COL = 1-NTHIK, NCOLS\n COUNT = COUNT + 1\n RHOJ( COL,ROW,LVL ) = DENSJ_BND( COUNT,LVL ) ! North\n END DO\n END DO\n DO ROW = 1-NTHIK, NROWS\n DO COL = 1-NTHIK, 0\n COUNT = COUNT + 1\n RHOJ( COL,ROW,LVL ) = DENSJ_BND( COUNT,LVL ) ! West\n END DO\n END DO\n END DO\n\n DEALLOCATE ( DENSJ_BUF )\n DEALLOCATE ( DENSJ_BND )\n\n END IF ! WINDOW\n\nC Adjust for argument offset (f90 dummy arguments assumed 1-based)\n\n DO LVL = 1, MLAYS\n DO ROW = 0, NROWS + 1\n DO COL = 0, NCOLS + 1\n RHOJI( COL+1,ROW+1,LVL ) = RHOJ( COL,ROW,LVL )\n END DO\n END DO\n END DO\n\n DEALLOCATE ( RHOJ )\n\n RETURN\n END\n" }, { "path": "CCTM/src/init/diffmsg.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/CCTM/src/init/yamo/diffmsg.F,v 1.4 2011/10/21 16:11:23 yoj Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\n SUBROUTINE DIFFMSG ( VNAME, INT1, INT2 )\n\nC----------------------------------------------------------------------\nC Function: To write message for inconsistency between two values\n \nC Preconditions: None\n \nC Key Subroutines/ unctions Called:\n \nC Revision History: Prototype created by Jerry Gipson, September, 1997\nC 16 Feb 11 S.Roselle: replaced I/O API include files with UTILIO_DEFN;\nC removed deprecated TRIMLEN\nC 04 Apr 11 S.Roselle: updated string blank space removal to use\nC fortran intrinsic functions\n \nC----------------------------------------------------------------------\n\n USE UTILIO_DEFN\n\n IMPLICIT NONE \n\nC..INCLUDES: None\n \nC..ARGUMENTS:\n CHARACTER(*) VNAME ! Variable Name\n CHARACTER(*) STR1 ! Value of character variable 1\n CHARACTER(*) STR2 ! Value of character variable 2\n \n INTEGER INT1 ! Value of integer variable 1\n INTEGER INT2 ! Value of integer variable 2\n\nC..PARAMETERS: None\n\nC..EXTERNAL FUNCTIONS: None\n\nC..SAVED LOCAL VARIABLES: None\n \nC..SCRATCH LOCAL VARIABLES:\n CHARACTER( 80 ) MSG\n CHARACTER( 20 ) CHR1 ! Value of variable 1 in character data\n CHARACTER( 20 ) CHR2 ! Value of variable 1 in character data\n\nC----------------------------------------------------------------------\n\n ENTRY INTDIFF ( VNAME, INT1, INT2 )\n WRITE( CHR1, 94020 ) INT1\n WRITE( CHR2, 94020 ) INT2\n MSG = ' Inconsistent values for '\n & // TRIM( ADJUSTL( VNAME ) ) // ': '\n & // TRIM( ADJUSTL( CHR1 ) ) // ' versus '\n & // TRIM( ADJUSTL( CHR2 ) )\n CALL M3MESG( MSG )\n RETURN\n\n ENTRY CHRDIFF ( VNAME, STR1, STR2 )\n MSG = ' Inconsistent values for '\n & // TRIM( ADJUSTL( VNAME ) ) // ': '\n & // TRIM( ADJUSTL( STR1 ) ) // ' versus '\n & // TRIM( ADJUSTL( STR2 ) )\n CALL M3MESG( MSG )\n RETURN\n\n94020 FORMAT(I20)\n END\n" }, { "path": "CCTM/src/init/flcheck.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE FLCHECK ( STDATE, STTIME, TSTEP )\n\nC-----------------------------------------------------------------------\nC Function: To check file header data for consistency with COORD.EXT\nC and runlength; only gridded and boundary files are checked.\n \nC Preconditions: None\n \nC Key Subroutines/Functions Called:\n \nC Revision History: Prototype created by Jerry Gipson, September, 1997\nC Modified Jun, 1998 by Jerry Gipson to remove PING\nC and MEPSE files from being checked\nC Jeff - Nov 2000 - ck only input files for start date/time\nC 30 Mar 01 J.Young: elim reference to grid\nC 6 Jul 10 J.Young: minor mods - F90-ize\nC 16 Feb 11 S.Roselle: replaced I/O API include files with UTILIO_DEFN\nC 11 May 11 D.Wong: incorporated twoway model implementation\nC 11 Apr 16 D.Wong: formulated a robust way to handle a situation when\nC ACONC file with STIME3 = starting time of the simulation,\nC and the file is emtpy and requires to go through CHECK3\nC-----------------------------------------------------------------------\n\n USE UTILIO_DEFN\n USE RUNTIME_VARS, ONLY : LOG_HEADING, LOG_SUBHEADING, LOG_MESSAGE,\n & RUNLEN, FL_ERR_STOP, LOGDEV\n\n IMPLICIT NONE \n\nC Includes:\n INCLUDE SUBST_FILES_ID ! file name parameters\n \nC Arguments:\n INTEGER, INTENT( IN ) :: STDATE ! Current date (YYYYDDD)\n INTEGER, INTENT( IN ) :: STTIME ! Current time (HHMMSS)\n INTEGER, INTENT( IN ) :: TSTEP ! Current time step (HHMMSS)\n\nC Parameters: None\n\nC External Functions: None\n\nC Saved Local Variables: None\n \nC Local Variables:\n CHARACTER( 80 ) :: MSG ! Message buffer\n CHARACTER( 16 ) :: PNAME = 'FLCHECK' ! Procedure name\n \n INTEGER JDATE ! Time step date (YYYYDDD)\n INTEGER JTIME ! Time step time (HHMMSS)\n INTEGER N ! Loop index\n INTEGER STATUS ! Status of returned value\n\n LOGICAL LERROR ! Flag to indicate error for 1 or more files\n LOGICAL LOK ! Flag to indicate error for 1 file\n\n CHARACTER( 500 ) :: FNAME\n INTEGER :: LSTAT\n LOGICAL :: ESTAT\n\nC-----------------------------------------------------------------------\n\n#ifndef mpas\n CALL LOG_HEADING( LOGDEV, 'Check Input File Headers' )\n\n LERROR = .FALSE.\n\n DO N = 1, N_FILES \n\n ! Detect whether or not this filename logical has been set in the run\n ! script\n CALL GET_ENVIRONMENT_VARIABLE( NAME = LGCL_NAME( N ), \n & VALUE = FNAME, STATUS = LSTAT )\n\n ! Check to see if this file already exists\n INQUIRE( FILE = TRIM( FNAME ), EXIST = ESTAT )\n \n ! skip checking files that were not set in the run script or do \n ! not exist \n IF ( LSTAT .LE. 0 .AND. ESTAT ) THEN\n\n LOK = OPEN3( LGCL_NAME( N ), FSREAD3, PNAME )\n\n IF ( LOK ) THEN\n\n IF ( DESC3( LGCL_NAME( N ) ) ) THEN\n \n ! only check gridded or boundary files\n IF ( FTYPE3D .EQ. GRDDED3 .OR. FTYPE3D .EQ. BNDARY3 ) THEN\n\n MSG = 'Checking header data for file: ' // LGCL_NAME( N )\n CALL M3MESG( MSG )\n\n CALL GRDCHECK ( LGCL_NAME( N ), LOK )\n\n ! check time steps for time dependent files\n IF ( TSTEP3D .GT. 0 ) THEN\n JDATE = STDATE\n JTIME = STTIME\n\n IF ( .NOT. CHECK3( LGCL_NAME( N ), ALLVAR3,\n & JDATE, JTIME ) ) THEN\n LOK = .FALSE.\n MSG = 'Starting time not on file'\n CALL M3MESG( MSG )\n END IF\n \n ! skip checking ending time for output files\n IF ( IN_MODE( N ) ) THEN\n CALL NEXTIME ( JDATE, JTIME, RUNLEN )\n IF ( .NOT. CHECK3( LGCL_NAME( N ), ALLVAR3,\n & JDATE, JTIME ) ) THEN\n LOK = .FALSE.\n MSG = 'Ending time not on file'\n CALL M3MESG( MSG )\n END IF\n END IF\n\n END IF ! if TSTEP3D .GT. 0\n\n IF ( .NOT. LOK ) LERROR = .TRUE.\n\n END IF ! only check gridded or boundary files\n\n ELSE\n\n LOK = .FALSE.\n MSG = 'DESC3 failed for ' // LGCL_NAME( N )\n CALL M3MESG( MSG )\n\n END IF ! DESC3 successful\n\n END IF ! successful open\n\n END IF ! skip files not set in run script or that don't exist\n\n END DO\n\n IF ( LERROR ) THEN\n MSG = 'Inconsistent header data on input files'\n IF ( FL_ERR_STOP ) THEN \n CALL M3EXIT ( PNAME, STDATE, STTIME, MSG, XSTAT2 )\n ELSE\n CALL M3WARN ( PNAME, STDATE, STTIME, MSG )\n RETURN\n END IF\n ELSE\n CALL LOG_MESSAGE( LOGDEV, 'No inconsistent header data found on input files' )\n WRITE( LOGDEV, * )\n END IF\n#endif\n\n RETURN\n\n END\n" }, { "path": "CCTM/src/init/grdcheck.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/CCTM/src/init/yamo/grdcheck.F,v 1.3 2011/10/21 16:11:24 yoj Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\n SUBROUTINE GRDCHECK ( FNAME, LOK )\n\nC----------------------------------------------------------------------\nC Function: To check files and COORD.EXT for consistency\n \nC Preconditions: None\n \nC Key Subroutines/Functions Called:\n \nC Revision History:\nC Prototype created by Jerry Gipson, September, 1997\nC eliminate EMISLYRS, Jeff, Oct 97\nC 2 October, 1998 by Al Bourgeois at LM: parallel implementation\nC 30 Mar 01 J.Young: dyn alloc - Use HGRD_DEFN\nC 31 Jan 05 J.Young: dyn alloc - establish both horizontal & vertical\nC domain specifications in one module\nC 6 Sep 06 J.Young: ensure LNLAYSOK is initialized - Michael Bane's suggestion\nC 16 Feb 11 S.Roselle: replaced I/O API include files with UTILIO_DEFN\nC----------------------------------------------------------------------\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE UTILIO_DEFN\n\n IMPLICIT NONE \n\nC..INCLUDES:\n INCLUDE SUBST_FILES_ID ! file name parameters\n \nC..ARGUMENTS:\n CHARACTER*(*) FNAME ! File Name\n LOGICAL LOK ! Flag to indicate error found\n\nC..PARAMETERS: None\n\nC..EXTERNAL FUNCTIONS: None\n\nC..SAVED LOCAL VARIABLES: None\n \nC..SCRATCH LOCAL VARIABLES:\n CHARACTER*20 CHR1 ! Value of variable 1 in character data\n CHARACTER*20 CHR2 ! Value of variable 1 in character data\n CHARACTER*80 MSG ! Message\n\n INTEGER LAY ! Loop index for layers\n INTEGER NCOLS_DOT ! No. of columns for a dot file\n INTEGER NLAYS_FL ! No. of layers expected on 3D file\n INTEGER NLAYS2CK ! No. of layers to check vertical levels\n INTEGER NROWS_DOT ! No. of rows for a dot file\n\n LOGICAL LDIFF ! Flag for difference in vertical levels\n LOGICAL LNLAYSOK ! Flag to indicate no. of vert. layers OK\n\n REAL*8 XORIG_FL ! Computed XORIG for dot file\n REAL*8 YORIG_FL ! Computed YORIG for dot file\n\nC----------------------------------------------------------------------\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC Check horizontal grid structure\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n#ifndef mpas\nC...For DOT files only\n IF(INDEX( FNAME, '_DOT_' ) .NE. 0 ) THEN\n\n IF( GL_NCOLS + 1 .NE. NCOLS3D ) THEN\n NCOLS_DOT = GL_NCOLS + 1\n CALL INTDIFF( 'GL_NCOLS', NCOLS3D, NCOLS_DOT )\n LOK = .FALSE.\n END IF\n\n IF( GL_NROWS + 1 .NE. NROWS3D ) THEN\n NROWS_DOT = GL_NROWS + 1\n CALL INTDIFF( 'GL_NROWS', NROWS3D, NROWS_DOT )\n LOK = .FALSE.\n END IF\n\nC...Skip PDM files\n ELSEIF( INDEX( FNAME, 'PDM_' ) .NE. 0) THEN\n\nC...Skip PING files\n ELSEIF( INDEX( FNAME, '_PING_' ) .NE. 0) THEN\n\nC...Skip IPR files\n ELSEIF( INDEX( FNAME, '_IPR_' ) .NE. 0) THEN\n\nC...Skip IRR files\n ELSEIF( INDEX( FNAME, '_IRR_' ) .NE. 0) THEN\n\nC...All other files\n ELSE\n\n IF( GL_NCOLS .NE. NCOLS3D ) THEN\n CALL INTDIFF( 'GL_NCOLS', NCOLS3D, GL_NCOLS )\n LOK = .FALSE.\n END IF\n\n IF( GL_NROWS .NE. NROWS3D ) THEN\n CALL INTDIFF( 'GL_NROWS', NROWS3D, GL_NROWS )\n LOK = .FALSE.\n END IF\n \n END IF\n\nC...Check Number of vertical layers only for true 3D files\n\n LNLAYSOK = .TRUE.\n\n IF( INDEX( FNAME, 'PDM_' ) .EQ. 0 .AND.\n & INDEX( FNAME, '_PING_' ) .EQ. 0 .AND. NLAYS3D .GT. 1 ) THEN\n\n IF( INDEX( FNAME, 'EMIS' ) .GT. 0 .OR.\n & INDEX( FNAME, 'MEPSE' ) .GT. 0 .OR.\n & INDEX( FNAME, '_IPR_' ) .GT. 0 .OR.\n & INDEX( FNAME, '_IRR_' ) .GT. 0 ) THEN\n! NLAYS_FL = EMISLYRS\n NLAYS_FL = NLAYS3D ! don't check this file\n ELSE\n NLAYS_FL = NLAYS\n END IF\n\n IF( NLAYS_FL .NE. NLAYS3D ) THEN\n CALL INTDIFF( 'NLAYS', NLAYS3D, NLAYS_FL )\n LOK = .FALSE.\n LNLAYSOK = .FALSE.\n END IF\n\n IF( NTHIK .NE. NTHIK3D ) THEN\n CALL INTDIFF( 'NTHIK', NTHIK3D, NTHIK )\n LOK = .FALSE.\n END IF\n \n END IF\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC Check Map projection\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF( GDTYP_GD .NE. GDTYP3D ) THEN\n CALL INTDIFF( 'GDTYP', GDTYP_GD, GDTYP3D )\n LOK = .FALSE.\n END IF\n\nC...Check P_ALPHA only for Lambert, Mercator, Stereographic and UTM\n IF( GDTYP_GD .GE. 2 .AND. GDTYP_GD .LE. 5 ) THEN \n WRITE( CHR1, 94020 ) P_ALP3D\n WRITE( CHR2, 94020 ) P_ALP_GD\n IF( CHR1 .NE. CHR2 ) THEN\n CALL CHRDIFF( 'P_ALP', CHR1, CHR2 )\n LOK = .FALSE.\n END IF\n END IF\n\nC...Check P_BETA only for Lambert, Mercator, and Stereographic\n IF( GDTYP_GD .GE. 2 .AND. GDTYP_GD .LE. 4 ) THEN \n WRITE( CHR1, 94020 ) P_BET3D\n WRITE( CHR2, 94020 ) P_BET_GD\n IF( CHR1 .NE. CHR2 ) THEN\n CALL CHRDIFF( 'P_BET', CHR1, CHR2 )\n LOK = .FALSE.\n END IF\n END IF\n\nC...Check P_GAMMA only for Lambert, Mercator, and Stereographic\n IF( GDTYP_GD .GE. 2 .AND. GDTYP_GD .LE. 4 ) THEN \n WRITE( CHR1, 94020 ) P_GAM3D\n WRITE( CHR2, 94020 ) P_GAM_GD\n IF( CHR1 .NE. CHR2 ) THEN\n CALL CHRDIFF( 'P_GAM', CHR1, CHR2 )\n LOK = .FALSE.\n END IF\n END IF\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC Check for horizontal grid location and size\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC...Check XORG & YORG only for Lambert, Mercator, Stereographic and UTM\n IF( GDTYP_GD .GE. 2 .AND. GDTYP_GD .LE. 5 ) THEN \n IF( INDEX( FNAME, '_DOT_' ) .GT. 0 ) THEN\n XORIG_FL = XORIG_GD - 0.5 * XCELL_GD\n YORIG_FL = YORIG_GD - 0.5 * YCELL_GD\n ELSE\n XORIG_FL = XORIG_GD \n YORIG_FL = YORIG_GD \n END IF\n WRITE( CHR1, 94020 ) XORIG3D\n WRITE( CHR2, 94020 ) XORIG_FL\n IF( CHR1 .NE. CHR2 ) THEN\n CALL CHRDIFF( 'XORIG', CHR1, CHR2 )\n LOK = .FALSE.\n END IF\n WRITE( CHR1, 94020 ) YORIG3D\n WRITE( CHR2, 94020 ) YORIG_FL\n IF( CHR1 .NE. CHR2 ) THEN\n CALL CHRDIFF( 'YORIG', CHR1, CHR2 )\n LOK = .FALSE.\n END IF\n END IF\n\nC...Check XCENT & YCENT only for Lambert, Mercator, and Stereographic\n IF( GDTYP_GD .GE. 2 .AND. GDTYP_GD .LE. 4 ) THEN \n WRITE( CHR1, 94020 ) XCENT3D\n WRITE( CHR2, 94020 ) XCENT_GD\n IF( CHR1 .NE. CHR2 ) THEN\n CALL CHRDIFF( 'XCENT', CHR1, CHR2 )\n LOK = .FALSE.\n END IF\n\n WRITE( CHR1, 94020 ) YCENT3D\n WRITE( CHR2, 94020 ) YCENT_GD\n IF( CHR1 .NE. CHR2 ) THEN\n CALL CHRDIFF( 'YCENT', CHR1, CHR2 )\n LOK = .FALSE.\n END IF\n END IF\n\n WRITE( CHR1, 94020 ) XCELL3D\n WRITE( CHR2, 94020 ) XCELL_GD\n IF( CHR1 .NE. CHR2 ) THEN\n CALL CHRDIFF( 'XCELL', CHR1, CHR2 )\n LOK = .FALSE.\n END IF\n\n WRITE( CHR1, 94020 ) YCELL3D\n WRITE( CHR2, 94020 ) YCELL_GD\n IF( CHR1 .NE. CHR2 ) THEN\n CALL CHRDIFF( 'YCELL', CHR1, CHR2 )\n LOK = .FALSE.\n END IF\n \nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC Check vertical structure (only for \"true\" 3D files\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF( INDEX( FNAME, 'PDM_' ) .EQ. 0 .AND.\n & INDEX( FNAME, '_PING_' ) .EQ. 0 .AND.\n & NLAYS3D .GT. 1 .AND. LNLAYSOK ) THEN\n\n IF( VGTYP_GD .NE. VGTYP3D ) THEN\n CALL INTDIFF( 'VGTYP', VGTYP3D, VGTYP_GD )\n LOK = .FALSE.\n END IF\n\nC..Check for vtop for sigma-p coordinates only\n IF( VGTYP3D .GE. 1 .AND. VGTYP3D .LE. 2 ) THEN \n WRITE( CHR1, 94020 ) VGTOP3D\n WRITE( CHR2, 94020 ) VGTOP_GD\n IF( CHR1 .NE. CHR2 ) THEN\n CALL CHRDIFF( 'VGTOP', CHR1, CHR2 )\n LOK = .FALSE.\n END IF\n END IF\n\nC..Check vertical levels for 3D files only\n\n LDIFF = .FALSE.\n\n IF( INDEX( FNAME, 'EMIS' ) .GT. 0 ) THEN\n! NLAYS2CK = EMISLYRS\n NLAYS2CK = NLAYS3D\n ELSE\n NLAYS2CK = NLAYS\n END IF\n\n DO LAY = 1 , NLAYS2CK\n WRITE( CHR1, 94020 ) VGLVS3D( LAY )\n WRITE( CHR2, 94020 ) VGLVS_GD( LAY )\n IF( CHR1 .NE. CHR2 ) LDIFF = .TRUE.\n END DO\n\n IF( LDIFF ) THEN \n MSG = ' Inconsistent value for vertical level'\n CALL M3MESG( MSG )\n LOK = .FALSE.\n END IF\n\n END IF\n#endif\n\n RETURN\n\n94020 FORMAT( 1PE20.4 )\n\n END\n \n" }, { "path": "CCTM/src/init/initscen.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE INITSCEN ( CGRID, TSTEP)\n\nC-----------------------------------------------------------------------\nC Function:\nC Initialize simulation time period and time stepping constants for\nC core model driver\nC Environment variable can reference a previous CONC file to use as\nC initial data.\nC Write initial conc data as step \"0\" on output conc file\n \nC Preconditions:\n \nC Subroutines and functions called:\nC M3EXIT, OPEN3, CLOSE3, DESC3, TIME2SEC, HHMMSS\n \nC Revision history:\nC prototype 6/92 by CJC for \"concept model\"\nC revised 2/93 by CJC for initial M3 Prototype Alpha\nC revised 6/14/94 by Dongming Hwang for configuration management prototype\nC revised 8/30/94 by Dongming Hwang: If CTM_CONC_1 file doesn't exist,\nC use header info from CHEMINIT3D file.\n \nC Interim Version ... (Jeff)\n\nC revised 6/12/97 by Jerry Gipson: Get ICs by species name, by surrogate\nC name, or zero\nC Jeff - Aug 97 - fixed problems, cleaned up\nC Jeff - Dec 97 - add CMIN\nC Jeff - Dec 97 - put in aerosol sulfate inititalization\nC Jeff - Feb 98 - close init cond files after reading\nC 2 October, 1998 by Al Bourgeois at LM: parallel implementation\nC revised 10/7/99 by Shawn Roselle: added surface area species to\nC aerosol species types\nC Jeff - Dec 00 - check if append, split out opconc and load_cgrid\nC - move CGRID_MAP into f90 module\nC 30 Mar 01 J.Young: dyn alloc - Use HGRD_DEFN; assumed shape arrays\nC 17 Mar 03 D.Wong: move barrier to avoid race conditions\nC 28 Aug 03 J.Young: following Zion Wang at CERT, only pe 0 closes\nC 30 May 05 J.Young: add call to load RHOJ into CGRID\nC 21 Jun 10 J.Young: convert for Namelist redesign\nC 16 Feb 11 S.Roselle: replaced I/O API include files with UTILIO_DEFN;\nC removed deprecated TRIMLEN\nC 11 May 11 D.Wong: incorporated twoway model implementation\nC Aug 15 D.Wong: Added two new subroutine calls to open ACONC and WDEP files\nC Dec 15 D.Wong: new routine wr_init to write the initial data to the CONC file\nC 1 Feb 19 David Wong: Implemented centralized I/O approach, removed\nC all MY_N clauses\nC 29 Oct 18 L.Zhou, S.Napelenok: isam implementation\nC 26 Nov 19 S. Napelenok: DDM3D implementation for CMAQ v5.3.1\nC-----------------------------------------------------------------------\n USE RUNTIME_VARS\n USE HGRD_DEFN ! horizontal domain specifications\n USE CGRID_SPCS ! CGRID mechanism species\n USE UTILIO_DEFN\n USE ELMO_DATA, ONLY : L_ELMO, ELMO_NSTEP \n USE ELMO_PROC, ONLY : OPEN_ELMO\n#ifndef mpas\n#ifdef parallel\n USE SE_MODULES ! stenex (using SE_UTIL_MODULE)\n USE VERTEXT_MODULE\n#else\n USE NOOP_MODULES ! stenex (using NOOP_UTIL_MODULE)\n#endif\n#endif\n\n#ifdef isam\n USE SA_DEFN\n#endif\n\n#ifdef sens\n USE DDM3D_DEFN\n USE VGRD_DEFN, ONLY: NLAYS\n#endif\n\n IMPLICIT NONE\n\nC Includes:\n\n INCLUDE SUBST_FILES_ID ! file name parameters\n\nC Arguments:\n\n! REAL :: CGRID( :,:,:,: ) ! for initial CONC\n REAL, POINTER :: CGRID( :,:,:,: ) ! for initial CONC\n INTEGER TSTEP( 3 ) ! time step vector (HHMMSS)\n ! TSTEP(1) = local output step\n ! TSTEP(2) = sciproc sync. step (chem)\n ! TSTEP(3) = twoway model time step w.r.t. wrf time\n ! step and wrf/cmaq call frequency\n! INTEGER NSTEPS ! run duration, as number of output time steps\n\nC Parameters:\n\n REAL, PARAMETER :: CMIN = 1.0E-30\n\nC Local Variables\n CHARACTER( 16 ) :: PNAME = 'INITSCEN'\n CHARACTER( 16 ) :: FNAME\n CHARACTER( 96 ) :: MSG = ' '\n\n INTEGER STEPSECS ! seconds per time step\n INTEGER TOTSECS ! run duration seconds\n\n#ifdef Verbose3\n real sumcg\n integer c, r, l, s, v\n#endif\n\n#ifdef sens\n integer COL,ROW,LAY,SPC\n#endif\n\n INTERFACE\n SUBROUTINE LOAD_CGRID ( FNAME, SPC_CAT, CMIN, CGRID )\n CHARACTER( 16 ), INTENT( IN ) :: FNAME\n CHARACTER( 2 ), INTENT( IN ) :: SPC_CAT\n REAL, INTENT( IN ) :: CMIN\n REAL, POINTER :: CGRID( :,:,:,: )\n END SUBROUTINE LOAD_CGRID\n SUBROUTINE WR_INIT ( CGRID, JDATE, JTIME, TSTEP )\n REAL, POINTER :: CGRID(:,:,:,:)\n INTEGER, INTENT( IN ) :: JDATE\n INTEGER, INTENT( IN ) :: JTIME\n INTEGER, INTENT( IN ) :: TSTEP\n END SUBROUTINE WR_INIT\n#ifdef isam\n SUBROUTINE SA_ARRAY_INIT ( CGRID )\n IMPLICIT NONE\n REAL, POINTER :: CGRID( :,:,:,: )\n END SUBROUTINE SA_ARRAY_INIT\n SUBROUTINE OP_SA ( JDATE, JTIME, TSTEP, NSTEPS, FNAME )\n IMPLICIT NONE\n INTEGER :: JDATE, JTIME\n INTEGER :: TSTEP(2)\n INTEGER :: NSTEPS\n CHARACTER( 16 ) :: FNAME\n END SUBROUTINE OP_SA\n SUBROUTINE SA_OPWDDEP ( SADEPFILE, JDATE, JTIME, TSTEP )\n IMPLICIT NONE\n CHARACTER( 16 ) :: SADEPFILE ! Dry or wet dep file for tags\n INTEGER :: JDATE, JTIME, TSTEP\n END SUBROUTINE SA_OPWDDEP\n#endif\n#ifdef sens\n SUBROUTINE LOAD_SENGRID ( FNAME, STDATE, STTIME, SPC_CAT )\n IMPLICIT NONE\n CHARACTER( 16 ), INTENT( IN ) :: FNAME\n INTEGER, INTENT( IN ) :: STDATE, STTIME\n CHARACTER( 2 ), INTENT( IN ) :: SPC_CAT\n END SUBROUTINE LOAD_SENGRID\n#endif\n END INTERFACE\n\nC-----------------------------------------------------------------------\n\n TSTEP( 1 ) = LOCAL_TSTEP \n\n#ifdef isam\n IF ( MYPE .EQ. 0 ) THEN\n WRITE( LOGDEV,* ) 'Entered INITSCEN...'\n WRITE( LOGDEV,* ) 'NSPC_SA, NTAG_SA:', NSPC_SA, NTAG_SA\n END IF\n#endif\n\nC Initialize the CGRID array\n CGRID = CMIN\n\nC Load CGRID\n IF ( N_GC_SPC .GT. 0 ) THEN\n FNAME = INIT_CONC_1\n CALL LOAD_CGRID ( FNAME, 'GC', CMIN, CGRID )\n#ifdef Verbose3\n write( logdev,'(/\"@@@c \", i8, i7.6)') stdate, sttime\n l = 1\n do v = gc_strt, gc_fini\n s = v + 1 - gc_strt\n sumcg = 0.0\n do r = 1, nrows\n do c = 1, ncols\n sumcg = sumcg + cgrid( c,r,l,v )\n end do\n end do\n write( logdev,'(\"@@@c \", a, i5, g16.6)') gc_spc( s ), s, sumcg\n end do\n#endif\n END IF ! N_GC_SPC > 0\n\nC load rhoj\n FNAME = MET_CRO_3D\n CALL LOAD_CGRID ( FNAME, 'RJ', CMIN, CGRID )\n\nC Get aerosols IC's\n IF ( N_AE_SPC .GT. 0 ) THEN\n FNAME = INIT_CONC_1\n CALL LOAD_CGRID ( FNAME, 'AE', CMIN, CGRID )\n END IF ! N_AE_SPC > 0\n\nC Get non-reactives IC's\n IF ( N_NR_SPC .GT. 0 ) THEN\n FNAME = INIT_CONC_1\n CALL LOAD_CGRID ( FNAME, 'NR', CMIN, CGRID )\n END IF ! N_NR_SPC > 0\n\nC Get tracer IC's\n IF ( N_TR_SPC .GT. 0 ) THEN\n FNAME = INIT_CONC_1\n CALL LOAD_CGRID ( FNAME, 'TR', CMIN, CGRID )\n END IF ! N_TR_SPC > 0\n\nC Test opening existing conc file for update\n CALL LOG_HEADING( LOGDEV, \"Open or Create Concentration File\" )\n\nC *** Open the aerosol parameters file (diameters and standard deviations).\n IF ( L_ELMO .AND. IO_PE_INCLUSIVE ) THEN\n CALL OPEN_ELMO ( STDATE, STTIME, TSTEP( 1 ) )\n ELMO_NSTEP = 0.0\n END IF\n\n#ifndef mpas\n IF ( .NOT. OPEN3( CTM_CONC_1, FSRDWR3, PNAME ) ) THEN\n\n#ifndef twoway\n BACKSPACE( LOGDEV )\n#endif\n MSG = 'Could not open ' // TRIM( CTM_CONC_1 ) // ' for update - '\n & // 'try to open new'\n CALL M3MESG( MSG )\n ! Open the file new\n CALL SUBST_BARRIER\n CALL OPCONC ( STDATE, STTIME, TSTEP( 1 ) )\n#ifdef parallel\n CALL OPVEXT ( STDATE, STTIME, TSTEP( 1 ) )\n#endif\n END IF\n\n CALL WR_INIT ( CGRID, STDATE, STTIME, TSTEP( 1 ) )\n \n CALL LOG_HEADING( LOGDEV, \"Open or Create Average Concentration File\" )\n CALL OPACONC ( STDATE, STTIME, TSTEP( 1 ) )\n \n CALL LOG_HEADING( LOGDEV, \"Open or Create Wet Deposition File\" )\n CALL OPWDEP ( STDATE, STTIME, TSTEP( 1 ) )\n\n#ifdef sens\n CALL OPASENS( STDATE, STTIME, TSTEP( 1 ) )\n#endif\n\n#ifdef isam\nC Initialize ISAM array\n CALL SA_ARRAY_INIT ( CGRID )\n\nC Open SA_CONC_1 and SA_CGRID_1\n CALL OP_SA ( STDATE, STTIME, TSTEP, 1, SA_CONC_1 )\n IF ( MYPE .EQ. 0 ) CALL SA_OPWDDEP ( SA_WD_1, STDATE, STTIME, TSTEP( 1 ) )\n#endif\n\n#ifdef sens\n IF ( RST ) THEN ! Load SENGRID from a file\n\n IF ( N_GC_SPC .GT. 0 ) THEN\n FNAME = INIT_SENS_1\n CALL LOAD_SENGRID ( FNAME, STDATE, STTIME, 'GC' )\n END IF ! N_GC_SPC > 0\n\n FNAME = MET_CRO_3D\n CALL LOAD_SENGRID ( FNAME, STDATE, STTIME, 'RJ' )\n\n IF ( N_AE_SPC .GT. 0 ) THEN\n FNAME = INIT_SENS_1\n CALL LOAD_SENGRID ( FNAME, STDATE, STTIME, 'AE')\n END IF ! N_AE_SPC > 0\n\n IF ( N_NR_SPC .GT. 0 ) THEN\n FNAME = INIT_SENS_1\n CALL LOAD_SENGRID ( FNAME, STDATE, STTIME, 'NR' )\n END IF ! N_NR_SPC > 0\n\n IF ( N_TR_SPC .GT. 0 ) THEN\n FNAME = INIT_SENS_1\n CALL LOAD_SENGRID ( FNAME, STDATE, STTIME, 'TR' )\n END IF ! N_TR_SPC > 0\n\n ELSE ! Set to initial conditions or 0.0\n\n DO NP = 1, NPMAX\n IF ( IPT( NP ) .EQ. 1 ) THEN\n DO SPC = 1, NSPCSD\n DO LAY = 1, NLAYS\n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n SENGRID( COL, ROW, LAY, NP, SPC) =\n & CGRID( COL, ROW, LAY, SPC )\n & * REAL( IPARM( NP, SPC ) )\n & * IREGION( COL, ROW, LAY, NP )\n END DO\n END DO\n END DO\n END DO\n ELSE\n DO SPC = 1, NSPCSD\n DO LAY = 1, NLAYS\n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n SENGRID( COL, ROW, LAY, NP, SPC) = 0.0\n END DO\n END DO\n END DO\n END DO\n END IF\n END DO\n\n END IF\n#endif\n\n CALL SUBST_BARRIER\n\n CALL LOG_HEADING( LOGDEV, \"Check Initial Concentrations\" )\n#endif\n\n RETURN\n END\n" }, { "path": "CCTM/src/init/load_cgrid.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE LOAD_CGRID ( FNAME, SPC_CAT, CMIN, CGRID )\n\nC-----------------------------------------------------------------------\nC Function:\nC Initialize the model CGRID array from file data\n\nC Revision history:\nC Jeff - Dec 00 - split out from initscen.F\nC - move CGRID_MAP into f90 module\nC Jeff - Feb 01 - module LOCALFILE to set CCTM IOAPI file defn's\nC - add BUFSIZE for dfio option\nC - assumed shape arrays\nC 30 Mar 01 J.Young: dyn alloc - Use HGRD_DEFN; replace INTERP3 with INTERPX;\nC 30 Oct 01 J.Young: fix ICBC_FAC\nC 4 Sep 03 J.Young: fix SPC/NDX bug if ASO4J IC's are unavailable\nC 20 Nov 03 J.Young: enable loading RHOJ\nC 31 Jan 05 J.Young: dyn alloc - establish both horizontal & vertical\nC domain specifications in one module\nC 21 Jun 10 J.Young: convert for Namelist redesign\nC 16 Feb 11 S.Roselle: replaced I/O API include files with UTILIO_DEFN;\nC removed deprecated TRIMLEN\nC 2 Sep 11 J.Young: change ICBC_FAC policy to always assigning factor,\nC if specified, not just if a surrogate is also specified \nC 11 Sep 15 B.Murphy: add condition for no surrogate name\nC\nC 08 Mar 19 F. Sidi Split up ICBC_FAC into IC_FAC and BC_FAC for \nC tracer namelist only\nC 01 Feb 19 D.Wong: Implemented centralized I/O approach, removed all\nC MY_N clauses\nC 01 Feb 19 D.Wong: Implemented centralized I/O approach, removed all\nC MY_N clauses\nC 08 Mar 19 F. Sidi Split up ICBC_FAC into IC_FAC and BC_FAC for \nC tracer namelist only\nC 13 Mar 19 D. Wong: Implemented centralized I/O approach\nC-----------------------------------------------------------------------\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE CGRID_SPCS ! CGRID mechanism species\n USE UTILIO_DEFN\n USE AERO_DATA, ONLY : CHECK_AERO_ICBC, N_MODE\n Use CENTRALIZED_IO_MODULE, only : interpolate_var\n USE RUNTIME_VARS, ONLY : IC_AERO_M2WET, IC_AERO_M2USE\n#ifdef mpas\n USE coupler_module\n#endif\n\n IMPLICIT NONE\n\n INCLUDE SUBST_CONST ! constants\n INCLUDE SUBST_FILES_ID ! file name parameters\n\nC Arguments:\n\n CHARACTER( 16 ) :: FNAME\n INTEGER JDATE\n INTEGER JTIME\n CHARACTER( 2 ) :: SPC_CAT\n REAL CMIN\n! REAL :: CGRID( :,:,:,: ) ! for initial CONC\n REAL, POINTER :: CGRID( :,:,:,: ) ! for initial CONC\n\nC Parameters:\n\nC minimum aerosol sulfate concentration [ ug/m**3 ]\n REAL, PARAMETER :: AEROCONCMIN = 0.001\n\nC The following two factors assume that sulfate density is 1.8e3 [ kg/m**3 ]\nC and that the geometric mean diameter and geometric standard deviations\nC for the Aitken mode are 0.01e-6 [ m ] and 1.7 respectively\nC and are 0.07e-6 and 2.0 respectively for the accumulation mode.\n\nC factor to calculate aerosol number concentration from aerosol sulfate mass\nC concentration in the Aitken mode [ ug ].\n REAL, PARAMETER :: NUMFACT_I = 2.988524 E11\n\nC factor to calculate aerosol number concentration from aerosol sulfate mass\nC concentration in the Accumulation mode [ ug ].\n REAL, PARAMETER :: NUMFACT_J = 3.560191 E08\n\nC fraction of sulfuric acid vapor taken as aerosol for first time step\n REAL, PARAMETER :: SO4VAPTOAER = 0.999\nC initial fraction of total aerosol sulfate in the Aitken mode\n REAL, PARAMETER :: IFRACATKN = 0.04\n\n INTEGER, SAVE :: MXSPC\n INTEGER ASTAT\n\nC File variables:\n\n REAL :: DENS( NCOLS,NROWS,NLAYS ) ! air density (kg/m^3)\n REAL :: RHOJ( NCOLS,NROWS,NLAYS ) ! air density X Jacobian (kg/m^2)\n\nC External Functions:\n\n INTEGER, EXTERNAL :: FINDEX ! looks up number in table.\n\nC Local Variables\n\n REAL MWH2SO4 ! H2SO4 molec. wt.\n REAL H2SO4CONV ! ppm -> ug/m**3\n INTEGER LSULF ! Gas chem CGRID index\n INTEGER ISO4AJ, ISO4AI, INUMATKN, INUMACC ! CGRID aerosol indices\n\n INTEGER GXOFF, GYOFF ! global origin offset from file\n\nC for XTRACT3\n INTEGER :: STRTCOLINI, ENDCOLINI, STRTROWINI, ENDROWINI\n REAL :: DBUFF( NCOLS,NROWS,NLAYS )\n REAL :: DBUFF_TMP( NCOLS,NROWS,NLAYS )\n\n INTEGER SPC_STRT, SPC_FINI ! Species Indices\n INTEGER N_SPCS ! no. of species for this call\n INTEGER NDX ! loop copy of INDX\n INTEGER ISUR ! surrogate index\n INTEGER ISPCS ! model species index\n INTEGER, ALLOCATABLE, SAVE :: INDX( : ) ! Variable indices for all IC species\n REAL, ALLOCATABLE, SAVE :: ICBC_FAC( : ) ! Factor to be applied to ICs\n INTEGER C, R, L, SPC, V, J ! loop counters\n INTEGER ASPC ! CGRID RHOJ pointer\n INTEGER STAT( N_MODE ) ! Status reported by Aerosol Dist Checker\n\n INTEGER :: IMODE \n REAL :: AER_PAR( 2, N_MODE,6 ) !Modal parameter after the BC \n !check (N, dg, sg)\n ! (N, M2, M3) - Before\n ! (N, M2, M3) - After\n REAL :: AECON( N_AE_SPC )\n\n CHARACTER( 16 ) :: PNAME = 'LOAD_CGRID'\n CHARACTER( 16 ) :: VNAME\n CHARACTER( 16 ) :: POC_CHK\n CHARACTER( 16 ) :: ICNAME_TMP\n CHARACTER( 16 ) :: CONCMIN\n CHARACTER( 96 ) :: XMSG = ' '\n CHARACTER(199 ) :: XMSG2 = ' '\n CHARACTER( 40 ) :: CHWARN = 'Domain extents different from model for '\n CHARACTER( 24 ) :: ESTR1 = 'No IC found for species '\n CHARACTER( 34 ) :: ESTR2 = ' '\n CHARACTER( 34 ) :: ESTR3 = ' '\n\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n LOGICAL :: L_WRITE_WARNING\n\nC-----------------------------------------------------------------------\n\n JDATE = STDATE\n JTIME = STTIME\n\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n\n CALL LOG_HEADING( LOGDEV, 'Load Initial Conditions' ) \n\n MXSPC = N_GC_SPC + N_AE_SPC + N_NR_SPC + N_TR_SPC\n ALLOCATE ( INDX( MXSPC ), ICBC_FAC( MXSPC ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'ERROR allocating INDX or ICBC_FAC'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n#ifdef mpas\n ALLOCATE ( INDX_MPAS( MXSPC ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'ERROR allocating INDX_MPAS '\n call M3EXIT (PNAME, JDATE, JTIME, XMSG, 1)\n END IF\n INDX_MPAS = 0\n#endif\n END IF\n\n WRITE( CONCMIN,'(1PE9.2)' ) CMIN\n\n#ifndef mpas\n IF ( .NOT. OPEN3( FNAME, FSREAD3, PNAME ) ) THEN\n XMSG = 'Could not open ' // FNAME // ' file'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n \n IF ( .NOT. DESC3( FNAME ) ) THEN\n XMSG = 'Could not get ' // FNAME // ' file description'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n \n IF ( GL_NCOLS .NE. NCOLS3D ) THEN\n WRITE( LOGDEV,* ) ' '\n WRITE( LOGDEV,* ) ' WARNING: ' // CHWARN // FNAME\n WRITE( LOGDEV,* ) '>> GL_NCOLS: ', GL_NCOLS, ' NCOLS3D: ', NCOLS3D\n END IF\n \n IF ( GL_NROWS .NE. NROWS3D ) THEN\n WRITE( LOGDEV,* ) ' '\n WRITE( LOGDEV,* ) ' WARNING: ' // CHWARN // FNAME\n WRITE( LOGDEV,* ) '>> GL_NROWS: ', GL_NROWS, ' NROWS3D: ', NROWS3D\n END IF\n \n IF ( NLAYS .NE. NLAYS3D ) THEN\n XMSG = 'Wrong number of layers in ' // FNAME // ' file'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n#endif\n\n ESTR2 = ' in ' // TRIM( FNAME ) // '; Look for '\n ESTR3 = ' in ' // TRIM( FNAME ) // '; set to ' // TRIM( CONCMIN )\n\nC The original policy for using surrogate names is first, check if the Namelist\nC species is on the IC file; if so ignore any surrogate. If the Namelist species\nC is not on the IC file, then check if the surrogate name is; if so also use the\nC scale factor (default = 1.0).\nC Note: parsing in CGRID_SPCS follows this policy for all the Namelist surrogate\nC types (EMIS, DEPV, ICBC, and SCAV).\nC => Change this for ICBC:\nC First check if there's a surrogate name in the Namelist and use it (and the\nC corresponding scale factor) if it exists. If it's not on the IC file, which it\nC wouldn`t be if it were blank, e.g., then look for the Namelist species name. If\nC that name is found on the IC file, then the default scale factor is applied\nC (default = 1.0). To use a scale factor other that 1.0, there must be a name in\nC the surrogate slot; it could be the same as the Namelist main species name.\n\nC Get INDX\n DO SPC = 1, MXSPC\n INDX( SPC ) = 0\n END DO\n\n SPC_STRT = 0\n IF ( SPC_CAT .EQ. 'GC' ) THEN\n WRITE( XMSG,1009 ) 'transported gas-phase (reactive) species'\n WRITE( LOGDEV, * )\n CALL LOG_MESSAGE( LOGDEV, XMSG )\n SPC_STRT = GC_STRT\n N_SPCS = N_GC_SPC\n DO SPC = 1, N_SPCS\nC is there a surrogate name?\n ISUR = FINDEX ( SPC, N_GC_IC, GC_IC_MAP )\n NDX = 0\n IF ( ISUR .NE. 0 ) THEN\nC is it on the IC file?\n#ifdef mpas\n NDX = INDEX1( GC_IC( ISUR ), n_all_spc, all_spc )\n#else\n NDX = INDEX1( GC_IC( ISUR ), NVARS3D, VNAME3D )\n#endif\n IF ( NDX .NE. 0 ) THEN\nC if there`s a surrogate name, CGRID_SPCS handles setting GC_ICBC_FAC\n INDX( SPC ) = NDX ! index in the IC file\n ICBC_FAC( SPC ) = GC_IC_FAC( ISUR )\n ELSE\n XMSG = ESTR1 // TRIM( GC_IC( ISUR ) ) // ESTR2 // \n & TRIM(GC_SPC( SPC ))\n CALL M3MESG( XMSG )\n END IF\n END IF\nC If there is no surrogate or it cannot be found, look for the (main) species name on the IC file\n If ( ISUR .EQ. 0 .OR. NDX .EQ. 0 .OR. (.NOT. NEW_START ) ) THEN\n#ifdef mpas\n NDX = INDEX1( GC_SPC( SPC ), n_all_spc, all_spc )\n#else\n NDX = INDEX1( GC_SPC( SPC ), NVARS3D, VNAME3D )\n#endif\n IF ( NDX .NE. 0 ) THEN\n INDX( SPC ) = NDX ! index in the IC file\n ICBC_FAC( SPC ) = 1.0\n ELSE\n XMSG = ESTR1 // TRIM( GC_SPC( SPC ) ) // ESTR3\n CALL M3MESG( XMSG )\n END IF\n END IF\n\n IF ( INDX( SPC ) .GT. 0 )\n & WRITE( LOGDEV,1013 ) INDX( SPC ), GC_SPC( SPC ), ICBC_FAC( SPC )\n\n END DO\n\n ELSE IF ( SPC_CAT .EQ. 'AE' ) THEN\n WRITE( XMSG,1009 ) 'transported aerosol species'\n WRITE( LOGDEV, * )\n CALL LOG_MESSAGE( LOGDEV, XMSG )\n SPC_STRT = AE_STRT\n N_SPCS = N_AE_SPC\n DO SPC = 1, N_SPCS\nC is there a surrogate name?\n ISUR = FINDEX ( SPC, N_AE_IC, AE_IC_MAP )\n NDX = 0\n IF ( ISUR .NE. 0 ) THEN\nC is it on the IC file?\n#ifdef mpas\n NDX = INDEX1( AE_IC( ISUR ), n_all_spc, all_spc )\n#else\n NDX = INDEX1( AE_IC( ISUR ), NVARS3D, VNAME3D )\n#endif\n IF ( NDX .NE. 0 ) THEN\n INDX( SPC ) = NDX ! index in the IC file\n ICBC_FAC( SPC ) = AE_IC_FAC( ISUR )\n ELSE\n XMSG = ESTR1 // TRIM( AE_IC( ISUR ) ) // ESTR2 // \n & TRIM(AE_SPC( SPC ))\n CALL M3MESG( XMSG )\n END IF\n END IF\nC If there is no surrogate or it cant be found, look for the (main) species name on the IC file\n If ( ISUR .EQ. 0 .OR. NDX .EQ. 0 .OR. (.NOT. NEW_START ) ) THEN\n#ifdef mpas\n NDX = INDEX1( AE_SPC( SPC ), n_all_spc, all_spc )\n#else\n NDX = INDEX1( AE_SPC( SPC ), NVARS3D, VNAME3D )\n#endif\n IF ( NDX .NE. 0 ) THEN\n INDX( SPC ) = NDX\n ICBC_FAC( SPC ) = 1.0\n ELSE\n XMSG = ESTR1 // TRIM( AE_SPC( SPC ) ) // ESTR3\n CALL M3MESG( XMSG )\n END IF\n END IF\n\n IF ( INDX( SPC ) .GT. 0 )\n & WRITE( LOGDEV,1013 ) INDX( SPC ), AE_SPC( SPC ), ICBC_FAC( SPC )\n \n END DO\n\n ELSE IF ( SPC_CAT .EQ. 'NR' ) THEN\n WRITE( XMSG,1009 ) 'transported non-reactive gas species'\n WRITE( LOGDEV, * )\n CALL LOG_MESSAGE( LOGDEV, XMSG )\n SPC_STRT = NR_STRT\n N_SPCS = N_NR_SPC\n DO SPC = 1, N_SPCS\nC is there a surrogate name?\n ISUR = FINDEX ( SPC, N_NR_IC, NR_IC_MAP )\n NDX = 0\n IF ( ISUR .NE. 0 ) THEN\nC is it on the IC file?\n#ifdef mpas\n NDX = INDEX1( NR_IC( ISUR ), n_all_spc, all_spc )\n#else\n NDX = INDEX1( NR_IC( ISUR ), NVARS3D, VNAME3D )\n#endif\n IF ( NDX .NE. 0 ) THEN\n INDX( SPC ) = NDX ! index in the IC file\n ICBC_FAC( SPC ) = NR_IC_FAC( ISUR )\n ELSE\n XMSG = ESTR1 // TRIM( NR_IC( ISUR ) ) // ESTR2 // \n & TRIM(NR_SPC( SPC ))\n CALL M3MESG( XMSG )\n END IF\n END IF\nC If there is no surrogate or it cant be found, look for the (main) species name on the IC file\n If ( ISUR .EQ. 0 .OR. NDX .EQ. 0 .OR. (.NOT. NEW_START ) ) THEN\n#ifdef mpas\n NDX = INDEX1( NR_SPC( SPC ), n_all_spc, all_spc )\n#else\n NDX = INDEX1( NR_SPC( SPC ), NVARS3D, VNAME3D )\n#endif\n IF ( NDX .NE. 0 ) THEN\n INDX( SPC ) = NDX\n ICBC_FAC( SPC ) = 1.0\n ELSE\n XMSG = ESTR1 // TRIM( NR_SPC( SPC ) ) // ESTR3\n CALL M3MESG( XMSG )\n END IF\n END IF\n\n IF ( INDX( SPC ) .GT. 0 )\n & WRITE( LOGDEV,1013 ) INDX( SPC ), NR_SPC( SPC ), ICBC_FAC( SPC )\n\n END DO\n\n ELSE IF ( SPC_CAT .EQ. 'TR' ) THEN\n WRITE( XMSG, 1009 ) 'transported inert tracer gas species'\n WRITE( LOGDEV, * )\n CALL LOG_MESSAGE( LOGDEV, XMSG )\n SPC_STRT = TR_STRT\n N_SPCS = N_TR_SPC\n DO SPC = 1, N_SPCS\nC is there a surrogate name?\n ISUR = FINDEX ( SPC, N_TR_IC, TR_IC_MAP )\n NDX = 0\n IF ( ISUR .NE. 0 ) THEN\nC is it on the IC file?\n#ifdef mpas\n NDX = INDEX1( TR_IC( ISUR ), n_all_spc, all_spc )\n#else\n NDX = INDEX1( TR_IC( ISUR ), NVARS3D, VNAME3D )\n#endif\n IF ( NDX .NE. 0 ) THEN\n INDX( SPC ) = NDX ! index in the IC file\n ICBC_FAC( SPC ) = TR_IC_FAC( ISUR )\n ELSE\n XMSG = ESTR1 // TRIM( TR_IC( ISUR ) ) // ESTR2 // \n & TRIM(TR_SPC( SPC ))\n CALL M3MESG( XMSG )\n END IF\n END IF\nC If there is no surrogate or it cant be found, look for the (main) species name on the IC file\n If ( ISUR .EQ. 0 .OR. NDX .EQ. 0 .OR. (.NOT. NEW_START ) ) THEN\n#ifdef mpas\n NDX = INDEX1( TR_SPC( SPC ), n_all_spc, all_spc )\n#else\n NDX = INDEX1( TR_SPC( SPC ), NVARS3D, VNAME3D )\n#endif\n IF ( NDX .NE. 0 ) THEN\n INDX( SPC ) = NDX\n ICBC_FAC( SPC ) = 1.0\n ELSE\n XMSG = ESTR1 // TRIM( TR_SPC( SPC ) ) // ESTR3\n CALL M3MESG( XMSG )\n END IF\n END IF\n\n IF ( INDX( SPC ) .GT. 0 )\n & WRITE( LOGDEV,1013 ) INDX( SPC ), TR_SPC( SPC ), ICBC_FAC( SPC )\n\n END DO\n\n ELSE IF ( SPC_CAT .EQ. 'RJ' ) THEN\n N_SPCS = 0\n ELSE\n XMSG = 'Species categories incorrect for CGRID '\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n \nC Read into CGRID\n\n! CALL SUBHFILE ( FNAME, GXOFF, GYOFF,\n! & STRTCOLINI, ENDCOLINI, STRTROWINI, ENDROWINI )\nC IOFDESC common now loaded with FNAME header\n\n DO SPC = 1, N_SPCS\n V = SPC_STRT - 1 + SPC\n NDX = INDX( SPC )\n\n IF ( NDX .GT. 0 ) THEN\n#ifndef mpas\n call interpolate_var (VNAME3D ( NDX ), jdate, jtime, DBUFF)\n\n ! Add Non-Carbon Mass to Carbon Mass if any tracer is\n ! pointing to POC as a surrogate. It is very likely that\n ! these tracers are seeking the entire POA mass (e.g.\n ! semivolatile POA tracers).\n POC_CHK = 'NOTPOC'\n IF ( SPC_CAT .EQ. 'AE' ) POC_CHK = AE_SPC( SPC )\n\n IF ( VNAME3D( NDX )( 1:4 ) .EQ. 'APOC' .AND.\n & POC_CHK(1:4) .NE. 'APOC' ) THEN \n ICNAME_TMP = 'APNCOM' // VNAME3D( NDX )( 5:5 )\n call interpolate_var (ICNAME_TMP, jdate, jtime, DBUFF_TMP)\n DBUFF = DBUFF + DBUFF_TMP\n END IF\n\n ! Load ICs into CGRID\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n CGRID( C,R,L,V ) = ICBC_FAC( SPC ) * DBUFF( C,R,L )\n END DO\n END DO\n END DO\n#endif\n\n END IF ! INDX .GT. 0\n\n END DO\n \n IF ( SPC_CAT .EQ. 'RJ' ) THEN\n\nC Load RHOJ for transport and mixing ratio advection adjustment\n\n call interpolate_var ('DENSA_J', jdate, jtime, RHOJ)\n\n ASPC = GC_STRT - 1 + N_GC_SPCD\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n CGRID( C,R,L,ASPC ) = RHOJ( C,R,L )\n END DO\n END DO\n END DO\n\n END IF\n\n IF ( SPC_CAT .EQ. 'AE' ) THEN\n CALL LOG_SUBHEADING( LOGDEV, 'Check Aerosol IC Size Distributions' )\n\n ! Check Aerosol Size Distributions and Warn the User if They Are Not Robust.\n ! Surface area is output from this routine consistent with the\n ! specification in IC_AERO_M2WET.\n IF ( NEW_START ) THEN\n SPC_STRT = AE_STRT\n SPC_FINI = AE_STRT + N_AE_SPC - 1\n L_WRITE_WARNING = .TRUE.\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n AECON( 1:N_AE_SPC ) = CGRID( C,R,L,SPC_STRT:SPC_FINI )\n CALL CHECK_AERO_ICBC( AECON, IC_AERO_M2WET, IC_AERO_M2USE, \n & .FALSE., L_WRITE_WARNING, C,R,L )\n CGRID( C,R,L,SPC_STRT:SPC_FINI ) = AECON( 1:N_AE_SPC )\n END DO\n END DO\n END DO\n END IF\n\nC are ASO4J ICs available on the file?\n\n VNAME = 'ASO4J'\n#ifdef mpas\n NDX = INDEX1( VNAME, n_ae_spc, ae_spc )\n#else\n NDX = INDEX1( VNAME, NVARS3D, VNAME3D )\n#endif\n \n IF ( NDX .EQ. 0 ) THEN ! ASO4J not on file\n\nC Set pointers for gas (vapor) phase sulfur species\n\n NDX = INDEX1( VNAME, N_AE_SPC, AE_SPC )\n IF ( NDX .NE. 0 ) THEN\n ISO4AJ = AE_STRT - 1 + NDX\n ELSE\n XMSG = 'Could not find ' // VNAME // 'in aerosol table'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT3 )\n END IF\n\n VNAME = 'SULF'\n NDX = INDEX1( VNAME, N_GC_G2AE, GC_G2AE )\n IF ( NDX .NE. 0 ) THEN\n LSULF = GC_STRT - 1 + GC_G2AE_MAP( NDX )\n MWH2SO4 = GC_MOLWT( GC_G2AE_MAP( NDX ) )\n ELSE\n XMSG = 'Could not find ' // VNAME // 'in gas chem aerosol table'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT3 )\n END IF\n\n VNAME = 'ASO4I'\n NDX = INDEX1( VNAME, N_AE_SPC, AE_SPC )\n IF ( NDX .NE. 0 ) THEN\n ISO4AI = AE_STRT - 1 + NDX\n ELSE\n XMSG = 'Could not find ' // VNAME // 'in aerosol table'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT3 )\n END IF\n VNAME = 'NUMATKN'\n NDX = INDEX1( VNAME, N_AE_SPC, AE_SPC )\n IF ( NDX .NE. 0 ) THEN\n INUMATKN = AE_STRT - 1 + NDX\n ELSE\n XMSG = 'Could not find ' // VNAME // 'in aerosol table'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT3 )\n END IF\n VNAME = 'NUMACC'\n NDX = INDEX1( VNAME, N_AE_SPC, AE_SPC )\n IF ( NDX .NE. 0 ) THEN\n INUMACC = AE_STRT - 1 + NDX\n ELSE\n XMSG = 'Could not find ' // VNAME // 'in aerosol table'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT3 )\n END IF\n\n call interpolate_var ('DENS', jdate, jtime, DENS)\n\nC Partition the aerosol sulfate arrays with a fraction of the initial SO4 \n\n H2SO4CONV = 1.0E3 * MWH2SO4 / MWAIR * SO4VAPTOAER\n\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n\nC total accumulation mode sulfate:\n\n CGRID( C,R,L,ISO4AJ ) = MAX ( AEROCONCMIN,\n & ( 1.0 - IFRACATKN )\n & * H2SO4CONV\n & * DENS ( C,R,L )\n & * CGRID( C,R,L,LSULF ) )\n\nC Accumulation mode number:\n \n CGRID( C,R,L,INUMACC ) = NUMFACT_J\n & * CGRID( C,R,L,ISO4AJ )\n\nC Aitken mode sulfate:\n \n CGRID( C,R,L,ISO4AI ) = MAX ( AEROCONCMIN,\n & IFRACATKN\n & * H2SO4CONV\n & * DENS ( C,R,L )\n & * CGRID( C,R,L,LSULF ) )\n \nC Aitken mode number:\n \n CGRID( C,R,L,INUMATKN ) = NUMFACT_I\n & * CGRID( C,R,L,ISO4AI )\n \nC correct sulfate vapor concentration for part removed:\n \n CGRID( C,R,L,LSULF ) = ( 1.0 - SO4VAPTOAER )\n & * CGRID( C,R,L,LSULF)\n \n END DO\n END DO\n END DO\n\n XMSG = 'No IC''s found for aerosol sulfate. ' //\n & 'Gas Chem sulfate used for partitioning.'\n CALL M3MESG( XMSG )\n\n END IF ! NDX .EQ. 0\n\n END IF ! SPC_CAT .EQ. 'AE'\n\n RETURN\n\n1009 FORMAT( 'Initial Condition Factors used for ', A )\n1013 FORMAT( 5X, I3, 2X, A, 1PG13.5 )\n END\n" }, { "path": "CCTM/src/init/opaconc.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n!:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE OPACONC ( JDATE, JTIME, TSTEP )\n\n! Revision History:\n! D. Wong - July 15: initial version\n! D. Wong 19 May 2016 - renamed ACONC_END_TIME to AVG_FILE_ENDTIME\n! F. Sidi 09 Sep 2019 - Replaced L_ACONC_WVEL(depreciated) with W_VEL\n!-----------------------------------------------------------------------\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE AVG_CONC ! integral average CONC\n USE UTILIO_DEFN\n#ifndef mpas\n#ifdef parallel\n USE SE_MODULES ! stenex (using SE_UTIL_MODULE)\n#else\n USE NOOP_MODULES ! stenex (using NOOP_UTIL_MODULE)\n#endif\n#endif\n\n IMPLICIT NONE\n\n! Include Files:\n\n INCLUDE SUBST_FILES_ID ! file name parameters\n\n INTEGER, INTENT (IN ) :: JDATE ! current model date, coded YYYYDDD\n INTEGER, INTENT (IN ) :: JTIME ! current model time, coded HHMMSS\n INTEGER, INTENT (IN ) :: TSTEP ! output timestep (HHMMSS)\n\n! Local variables:\n\n INTEGER MDATE ! modified model date, coded YYYYDDD\n INTEGER MTIME ! modified model time, coded HHMMSS\n\n CHARACTER( 16 ) :: PNAME = 'OPACONC'\n CHARACTER( 80 ) :: VARDESC = ' '\n CHARACTER( 96 ) :: XMSG = ' '\n\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n LOGICAL OK\n\n INTEGER L, K, KD, VAR, SPC ! loop counters\n INTEGER STATUS\n\n INTEGER TSTEP_RF, NTHIK_RF, NCOLS_RF, NROWS_RF, GDTYP_RF\n REAL( 8 ) :: P_ALP_RF, P_BET_RF, P_GAM_RF\n REAL( 8 ) :: XCENT_RF, YCENT_RF\n REAL( 8 ) :: XORIG_RF, YORIG_RF\n REAL( 8 ) :: XCELL_RF, YCELL_RF\n INTEGER VGTYP_RF\n REAL VGTOP_RF\n!-----------------------------------------------------------------------\n\n! Change output date/time to starting date/time - e.g. timestamp 1995196:090000\n! represents data computed from time 1995196:090000 to 1995196:100000\n\n#ifndef mpas \n! Override default beginning time timestamp for ACONC? \n IF ( END_TIME ) THEN ! ending time timestamp\n MDATE = JDATE; MTIME = JTIME\n CALL NEXTIME ( MDATE, MTIME, TSTEP )\n ELSE ! beginning time timestamp\n MDATE = JDATE; MTIME = JTIME\n END IF\n \n\n! Try to open existing file for update\n OK = OPEN3( A_CONC_1, FSRDWR3, PNAME )\n CALL SUBST_GLOBAL_LOGICAL( OK, 'AND' )\n IF ( .NOT. OK ) THEN\n#ifndef twoway\n BACKSPACE( LOGDEV )\n#endif\n XMSG = 'Could not open ' // TRIM( A_CONC_1 )\n & // ' file for update - try to open new'\n CALL M3MESG( XMSG )\n\n IF ( IO_PE_INCLUSIVE ) THEN\n\n! Get default file header attibutes from CONC file (assumes file already open)\n\n IF ( .NOT. DESC3( CTM_CONC_1 ) ) THEN\n XMSG = 'Could not get '\n & // TRIM( CTM_CONC_1 )\n & // ' file description'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n! Set file header attributes that differ from CONC and open the file\n\n SDATE3D = MDATE\n STIME3D = MTIME\n TSTEP3D = TSTEP\n NVARS3D = N_ACONC_VARS\n NLAYS3D = A_NLYS\n\n L = 0\n DO K = ACONC_BLEV, ACONC_ELEV + 1\n L = L + 1\n VGLVS3D( L ) = VGLVS_GD( K )\n END DO\n! GDNAM3D = GDNAME_GD\n GDNAM3D = GRID_NAME ! from HGRD_DEFN\n\n FDESC3D( 1 ) = 'Concentration file output '\n FDESC3D( 2 ) = 'Averaged over the synchronization time steps '\n FDESC3D( 3 ) = 'Timestamp represents beginning computed date/time '\n FDESC3D( 4 ) = 'Layer mapping (CGRID to AGRID):'\n KD = 4\n VAR = ACONC_BLEV\n L = 0\n DO K = KD + 1, MIN ( A_NLYS + KD, MXDESC3 )\n L = L + 1\n WRITE( FDESC3D( K ),'( \"Layer\", I3, \" to\", I3, \" \" )' )\n & VAR + L - 1, L\n END DO\n IF ( ( KD + 1 + L ) .LT. MXDESC3 ) THEN\n DO K = KD + 1 + L, MXDESC3\n FDESC3D( K ) = ' '\n END DO\n END IF\n\n WRITE( LOGDEV,* ) \n WRITE( LOGDEV, '(5x,A)' ) 'Avg Conc File Header Description:'\n DO K = 1, KD + L\n WRITE( LOGDEV,'(7x,A)' ) TRIM( FDESC3D( K ) )\n END DO\n\n VAR = 0\n\n DO SPC = 1, N_A_GC_SPC\n VAR = VAR + 1\n VTYPE3D( VAR ) = M3REAL\n VNAME3D( VAR ) = A_GC_SPC( SPC )\n UNITS3D( VAR ) = 'ppmV'\n VDESC3D( VAR ) = 'Average Molar Mixing Ratio of ' // VNAME3D( VAR )\n END DO\n\n DO SPC = 1, N_A_AE_SPC\n VAR = VAR + 1\n VTYPE3D( VAR ) = M3REAL\n VNAME3D( VAR ) = A_AE_SPC( SPC )\n IF ( VNAME3D( VAR )(1:3) .EQ. 'NUM' ) THEN\n UNITS3D( VAR ) = 'm-3'\n ELSE IF ( VNAME3D( VAR )(1:3) .EQ. 'SRF' ) THEN\n UNITS3D( VAR ) = 'm2 m-3'\n ELSE\n UNITS3D( VAR ) = 'ug m-3'\n END IF\n VDESC3D( VAR ) = 'Average Concentrations of ' // VNAME3D( VAR )\n END DO\n\n DO SPC = 1, N_A_NR_SPC\n VAR = VAR + 1\n VTYPE3D( VAR ) = M3REAL\n VNAME3D( VAR ) = A_NR_SPC( SPC )\n UNITS3D( VAR ) = 'ppmV'\n VDESC3D( VAR ) = 'Average Molar Mixing Ratio of ' // VNAME3D( VAR )\n END DO\n\n DO SPC = 1, N_A_TR_SPC\n VAR = VAR + 1\n VTYPE3D( VAR ) = M3REAL\n VNAME3D( VAR ) = A_TR_SPC( SPC )\n UNITS3D( VAR ) = 'ppmV'\n VDESC3D( VAR ) = 'Average Molar Mixing Ratio of ' // VNAME3D( VAR )\n END DO\n\n IF ( W_VEL ) THEN\n VAR = VAR + 1 \n VTYPE3D( VAR ) = M3REAL\n VNAME3D( VAR ) = 'W_VEL'\n UNITS3D( VAR ) = 'm s-1'\n VDESC3D( VAR ) = 'Vertical Wind Velocity'\n END IF\n \n IF ( L_ACONC_RH ) THEN\n VAR = VAR + 1 \n VTYPE3D( VAR ) = M3REAL\n VNAME3D( VAR ) = 'RH'\n UNITS3D( VAR ) = '1'\n VDESC3D( VAR ) = 'Fractional Relative Humidity'\n END IF\n \n IF ( L_ACONC_TA ) THEN\n VAR = VAR + 1 \n VTYPE3D( VAR ) = M3REAL\n VNAME3D( VAR ) = 'TA'\n UNITS3D( VAR ) = 'K'\n VDESC3D( VAR ) = 'Air Temperature'\n END IF\n \n IF ( L_ACONC_PRES ) THEN\n VAR = VAR + 1 \n VTYPE3D( VAR ) = M3REAL\n VNAME3D( VAR ) = 'PRES'\n UNITS3D( VAR ) = 'Pa'\n VDESC3D( VAR ) = 'Air Pressure'\n END IF\n\n DO SPC = 1, VAR\n WRITE( LOGDEV,'( 7X, \"=> VNAME3D(\", I3, \" ): \", A )' )\n & SPC, VNAME3D( SPC )\n END DO\n\n IF ( .NOT. OPEN3( A_CONC_1, FSNEW3, PNAME ) ) THEN\n XMSG = 'Could not open '\n & // TRIM( A_CONC_1 ) // ' file'\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n\n END IF ! MYPE = 0\n\n ELSE\n\n! File exists. Make sure it matches requested output.\n\n IF ( .NOT. DESC3( CTM_CONC_1 ) ) THEN\n XMSG = 'Could not get '\n & // TRIM( CTM_CONC_1 )\n & // ' file description'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n TSTEP_RF = TSTEP3D\n NTHIK_RF = NTHIK3D\n NCOLS_RF = NCOLS3D\n NROWS_RF = NROWS3D\n GDTYP_RF = GDTYP3D\n P_ALP_RF = P_ALP3D\n P_BET_RF = P_BET3D\n P_GAM_RF = P_GAM3D\n XCENT_RF = XCENT3D\n YCENT_RF = YCENT3D\n XORIG_RF = XORIG3D\n YORIG_RF = YORIG3D\n XCELL_RF = XCELL3D\n YCELL_RF = YCELL3D\n VGTYP_RF = VGTYP3D\n VGTOP_RF = VGTOP3D\n\n IF ( .NOT. DESC3( A_CONC_1 ) ) THEN\n XMSG = 'Could not get '\n & // TRIM( A_CONC_1 )\n & // ' file description'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n IF ( N_ACONC_VARS .NE. NVARS3D ) THEN\n WRITE( XMSG, '( A, 2I6 )' )\n & 'Number of variables don''t match file: ', N_ACONC_VARS, NVARS3D\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n\n DO SPC = 1, N_ASPCS\n DO VAR = 1, NVARS3D\n IF ( ACONC_FILE_SPCS( SPC ) .EQ. VNAME3D( VAR ) ) GO TO 101\n END DO\n XMSG = 'Could not find ' // ACONC_FILE_SPCS( SPC )\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n101 CONTINUE\n END DO\n\n IF ( A_NLYS .NE. NLAYS3D ) THEN\n WRITE( XMSG, '( A, 2I6 )' )\n & 'Number of layers don''t match file: ', A_NLYS, NLAYS3D\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n\n! Check other header data with CONC file as reference\n\n IF ( TSTEP_RF .NE. TSTEP3D .OR.\n & NTHIK_RF .NE. NTHIK3D .OR.\n & NCOLS_RF .NE. NCOLS3D .OR.\n & NROWS_RF .NE. NROWS3D .OR.\n & GDTYP_RF .NE. GDTYP3D ) THEN\n XMSG = 'Header inconsistent on existing A_CONC_1'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n IF ( P_ALP_RF .NE. P_ALP3D .OR.\n & P_BET_RF .NE. P_BET3D .OR.\n & P_GAM_RF .NE. P_GAM3D ) THEN\n XMSG = 'Header inconsistent on existing A_CONC_1'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n IF ( XCENT_RF .NE. XCENT3D .OR.\n & YCENT_RF .NE. YCENT3D ) THEN\n XMSG = 'Header inconsistent on existing A_CONC_1'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n IF ( XORIG_RF .NE. XORIG3D .OR.\n & YORIG_RF .NE. YORIG3D ) THEN\n XMSG = 'Header inconsistent on existing A_CONC_1'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n IF ( XCELL_RF .NE. XCELL3D .OR.\n & YCELL_RF .NE. YCELL3D ) THEN\n XMSG = 'Header inconsistent on existing A_CONC_1'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n IF ( VGTYP_RF .NE. VGTYP3D ) THEN\n XMSG = 'Header inconsistent on existing A_CONC_1'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n IF ( VGTOP_RF .NE. VGTOP3D ) THEN\n XMSG = 'Header inconsistent on existing A_CONC_1'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n\n END IF ! .NOT. OPEN A_CONC_1\n#endif\n\n END SUBROUTINE OPACONC\n" }, { "path": "CCTM/src/init/opconc.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE OPCONC ( JDATE, JTIME, TSTEP )\n\nC-----------------------------------------------------------------------\nC Function:\nC Create the IO/API netCDF header and open the output CONC file\n\nC Revision history:\nC Jeff - Dec 00 - split out from initscen.F\nC - move CGRID_MAP into f90 module\nC Jeff - Feb 01 - assumed shape arrays\nC 30 Mar 01 J.Young: dyn alloc - Use HGRD_DEFN\nC\nC 3 Sep 01 David Wong\nC -- let PE 0 open CTM_CONC_1 as new and later on let the rest open\nC it for read and write\nC -- put an explicit barrier before opening a new netCDF file to avoid\nC NCOPEN error\nC 7 May 03 J.Young: open and close conc file in processor 0; spin-wait to\nC deal with nfs network latency for mpich cluster\nC 28 Aug 03 J.Young: following Zion Wang at CERT, remove the spin-wait and\nC simplify opening and closing CONC file (see initscen)\nC 31 Jan 05 J.Young: dyn alloc - establish both horizontal & vertical\nC domain specifications in one module\nC 30 May 05 J.Young: optional save derived vert. vel. to conc file\nC 21 Jan 06 J.Young: add subset non-reactives capability with NR_CONC.EXT\nC and subset layers saved to conc file; no longer save\nC RHOJ to conc file\nC 22 Aug 06 J.Young: enable capturing IC's as 0 timestep\nC 11 Jun 08 J.Young: clean up\nC 30 Mar 10 David Wong: removed unnecessary barrier\nC 16 Feb 11 S.Roselle: replaced I/O API include files with UTILIO_DEFN;\nC removed deprecated TRIMLEN\nC Aug 15 D.Wong: Replaced MYPE with IO_PE_INCLUSIVE for parallel I/O\nC implementation\nC Added a block of code to let non I/O processor to open\nC CTM_CONC_1 file\nC Dec 15 D.Wong: Removed all the data writing parts and moved it into a\nC new file, wr_init.F\nC Sep 19 F. Sidi: Replaced L_CONC_WVEL & L_ACONC_WVEL (depreciated) with W_VEL\nC-----------------------------------------------------------------------\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE WVEL_DEFN ! derived vertical velocity component\n USE STD_CONC ! standard CONC\n USE UTILIO_DEFN\n#ifndef mpas\n#ifdef parallel\n USE SE_MODULES ! stenex (using SE_UTIL_MODULE)\n#else\n USE NOOP_MODULES ! stenex (using NOOP_UTIL_MODULE)\n#endif\n#endif\n\n IMPLICIT NONE\n\n INCLUDE SUBST_FILES_ID ! file name parameters\n\nC Arguments:\n\n INTEGER JDATE ! starting date (YYYYDDD)\n INTEGER JTIME ! starting time (HHMMSS)\n INTEGER TSTEP ! output timestep (HHMMSS)\n\nC Local Variables:\n\n CHARACTER( 16 ) :: PNAME = 'OPCONC'\n CHARACTER( 96 ) :: XMSG = ' '\n CHARACTER( 28 ) :: SSTR = ' species saved to CONC file:'\n\nC environment variable for no. of layers from bottom to save on CONC file\n CHARACTER( 16 ) :: NLAYS_CONC = 'NLAYS_CONC'\n\nC environment variable description\n CHARACTER( 80 ) :: VARDESC\n\n INTEGER K, KD, L, SPC, V, VAR ! loop counters\n INTEGER STRT, FINI ! loop counters\n INTEGER INDX\n\n LOGICAL, EXTERNAL :: FLUSH3\n\nC-----------------------------------------------------------------------\n\n#ifndef mpas\nC Set output file characteristics based on COORD.EXT and open it\n\n FTYPE3D = GRDDED3\n SDATE3D = JDATE\n STIME3D = JTIME\n TSTEP3D = TSTEP\n NVARS3D = N_CONC_VARS\n NCOLS3D = GL_NCOLS\n NROWS3D = GL_NROWS\n NLAYS3D = C_NLAYS\n NTHIK3D = 1\n GDTYP3D = GDTYP_GD\n P_ALP3D = P_ALP_GD\n P_BET3D = P_BET_GD \n P_GAM3D = P_GAM_GD\n XORIG3D = XORIG_GD\n YORIG3D = YORIG_GD\n XCENT3D = XCENT_GD\n YCENT3D = YCENT_GD\n XCELL3D = XCELL_GD\n YCELL3D = YCELL_GD\n VGTYP3D = VGTYP_GD\n VGTOP3D = VGTOP_GD\n! VGTPUN3D = VGTPUN_GD ! currently, not defined\n DO L = 1, NLAYS3D + 1\n VGLVS3D( L ) = VGLVS_GD( L )\n END DO\n GDNAM3D = GRID_NAME ! from HGRD_DEFN\n\n FDESC3D( 1 ) = 'Concentration file output'\n FDESC3D( 2 ) = 'From CMAQ model dyn alloc version CTM'\n FDESC3D( 3 ) = 'Set of variables (possibly) reduced from CGRID'\n FDESC3D( 4 ) = 'For next scenario continuation runs,'\n FDESC3D( 5 ) = 'use the \"one-step\" CGRID file'\n KD = 5\n V = CONC_BLEV\n L = 0\n DO K = KD + 1, MIN ( C_NLAYS + KD, MXDESC3 )\n L = L + 1\n WRITE( FDESC3D( K ),'( \"Layer\", I3, \" to\", I3, \" \" )' )\n & V + L - 1, L\n END DO\n IF ( ( KD + 1 + L ) .LT. MXDESC3 ) THEN\n DO K = KD + 1 + L, MXDESC3\n FDESC3D( K ) = ' '\n END DO\n END IF\n\n WRITE( LOGDEV,* ) ' '\n WRITE( LOGDEV,* ) ' Conc File Header Description:'\n DO K = 1, KD + L\n WRITE( LOGDEV,* ) ' ', TRIM( FDESC3D( K ) )\n END DO\n\n V = 0\n STRT = 1\n FINI = N_C_GC_SPC\n DO SPC = STRT, FINI\n V = V + 1\n VTYPE3D( SPC ) = M3REAL\n VNAME3D( SPC ) = C_GC_SPC( V )\n UNITS3D( SPC ) = 'ppmV'\n VDESC3D( SPC ) = 'Instantaneous Molar Mixing Ratio ' // VNAME3D( SPC )\n END DO\n\n V = 0\n STRT = FINI + 1\n FINI = FINI + N_C_AE_SPC\n DO SPC = STRT, FINI\n V = V + 1\n VTYPE3D( SPC ) = M3REAL\n VNAME3D( SPC ) = C_AE_SPC( V ) ! from STD_CONC module\n IF ( VNAME3D( SPC )(1:3) .EQ. 'NUM' ) THEN\n UNITS3D( SPC ) = 'm-3'\n ELSE IF ( VNAME3D( SPC )(1:3) .EQ. 'SRF' ) THEN\n UNITS3D( SPC ) = 'm2 m-3'\n ELSE\n UNITS3D( SPC ) = 'ug m-3'\n END IF\n VDESC3D( SPC ) = 'Instantaneous Aerosol Concentration of ' // VNAME3D( SPC )\n END DO\n\n V = 0\n STRT = FINI + 1\n FINI = FINI + N_C_NR_SPC\n DO SPC = STRT, FINI\n V = V + 1\n VTYPE3D( SPC ) = M3REAL\n VNAME3D( SPC ) = C_NR_SPC( V ) ! from STD_CONC module\n UNITS3D( SPC ) = 'ppmV'\n VDESC3D( SPC ) = 'Instantaneous molar mixing ratio of ' // VNAME3D( SPC )\n END DO\n\n V = 0\n STRT = FINI + 1\n FINI = FINI + N_C_TR_SPC ! write all TR species\n DO SPC = STRT, FINI\n V = V + 1\n VTYPE3D( SPC ) = M3REAL\n VNAME3D( SPC ) = C_TR_SPC( V ) ! from STD_CONC module\n UNITS3D( SPC ) = 'ppmV'\n VDESC3D( SPC ) = 'Instantaneous molar mixing ratio of ' // VNAME3D( SPC )\n END DO\n\n VAR = FINI\n IF ( W_VEL ) THEN ! for vertical velocity from advection\n VAR = VAR + 1\n VTYPE3D( VAR ) = M3REAL\n VNAME3D( VAR ) = 'W_VEL'\n UNITS3D( VAR ) = 'm s-1'\n VDESC3D( VAR ) = 'Derived vertical velocity component'\n END IF\n \n IF ( L_CONC_RH ) THEN ! for Relative Humidity\n VAR = VAR + 1 \n VTYPE3D( VAR ) = M3REAL\n VNAME3D( VAR ) = 'RH'\n UNITS3D( VAR ) = '1'\n VDESC3D( VAR ) = 'Fractional Relative Humidity'\n END IF\n \n IF ( L_CONC_TA ) THEN ! for Temperature\n VAR = VAR + 1 \n VTYPE3D( VAR ) = M3REAL\n VNAME3D( VAR ) = 'TA'\n UNITS3D( VAR ) = 'K'\n VDESC3D( VAR ) = 'Air Temperature'\n END IF\n \n IF ( L_CONC_PRES ) THEN ! for Pressure\n VAR = VAR + 1 \n VTYPE3D( VAR ) = M3REAL\n VNAME3D( VAR ) = 'PRES'\n UNITS3D( VAR ) = 'Pa'\n VDESC3D( VAR ) = 'Air Pressure'\n END IF\n\nC create header\n\n IF ( IO_PE_INCLUSIVE ) THEN ! open new\n\n IF ( .NOT. OPEN3( CTM_CONC_1, FSNEW3, PNAME ) ) THEN\n XMSG = 'Could not open ' // CTM_CONC_1\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n IF ( .NOT. FLUSH3 ( CTM_CONC_1 ) ) THEN\n XMSG = 'Could not sync to disk ' // CTM_CONC_1\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n END IF\n#endif\n\n END SUBROUTINE OPCONC\n" }, { "path": "CCTM/src/isam/PISAM_DEFN.F", "content": " MODULE PISAM_DEFN\nc\nc20140428 Has function PISAM_INIT\nc \nc-----------------------------------------------------------------------\n\n! USE HGRD_DEFN ! horizontal domain specifications\n USE GRID_CONF ! horizontal domain specifications\n USE UTILIO_DEFN ! 20120615\n\n IMPLICIT NONE\n\n REAL, ALLOCATABLE, SAVE, TARGET :: PISAM( :,:,:,:,: )\n\n CONTAINS\n FUNCTION PISAM_INIT (NSPC_TSSA, NTAG_TSSA) RESULT ( SUCCESS )\n\nC-----------------------------------------------------------------------\nC20140428 Create ISAM target, PISAM; just like CGRID on PCGRID.\nC Called by driver.F\nC \nC-----------------------------------------------------------------------\n\n! INCLUDE SUBST_VGRD_ID ! vertical dimensioning parameters\n!0615 INCLUDE SUBST_IODECL ! I/O definitions and declarations\n\n INTEGER :: NSPC_TSSA\n INTEGER :: NTAG_TSSA\n\n LOGICAL :: SUCCESS\n INTEGER :: ALLOCSTAT\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n CHARACTER( 120 ) :: XMSG = ' '\n\nC PISAM extents\n INTEGER :: LCOL\n INTEGER :: HCOL\n INTEGER :: LROW\n INTEGER :: HROW\n\n SUCCESS = .TRUE.\n\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n\n#ifdef parallel\n LCOL = 1 - NTHIK\n HCOL = NCOLS + NTHIK\n LROW = 1 - NTHIK\n HROW = NROWS + NTHIK\n#else\n LCOL = 0\n HCOL = NCOLS+1\n LROW = 0\n HROW = NROWS+1\n#endif\n \n ALLOCATE ( PISAM( LCOL:HCOL,\n & LROW:HROW,\n & NLAYS,\n & NSPC_TSSA,\n & NTAG_TSSA ),\n & STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating PISAM'\n CALL M3WARN ( 'PISAM_INIT', 0, 0, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n \n PISAM = 0.0\n \n ELSE\n XMSG = 'PISAM already ALLOCATED'\n CALL M3WARN ( 'PISAM_INIT', 0, 0, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n \n RETURN\n END FUNCTION PISAM_INIT\n \n END MODULE PISAM_DEFN\n" }, { "path": "CCTM/src/isam/SA_DEFN.F", "content": "!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n MODULE SA_DEFN\n\n! KWOK: Define tagging emissions, species, dimensions, etc, based on user-supplied sa_io_list\n! KWOK: Created Oct 5, 2010\n! 29 Oct 18 L.Zhou, S.Napelenok: update for cmaq 5.3 release\n! 35 Mar 19 S.Napelenok: recode REGION handling and clean-up for release\n! 10 Jun 21 G. Sarwar: Added CB6R3M\n! 23 Jun 21 G. Sarwar: Replaced CB6R3M with CB6R5M\n! 25 June 21 G. Sarwar: Removed CB6R3_AE6_AQ since it is not suported in CMAQ any more\n! 26 Apr 22 G. Sarwar: Added DMS\n\n USE RUNTIME_VARS, ONLY : VOC_NOX_TRANS, ISAM_NOX_CASE, ISAM_VOC_CASE\n \n IMPLICIT NONE\n\n SAVE\n\n PUBLIC\n\n INTEGER ITAG\n\nc...Tagging maps\n CHARACTER( 16 ), ALLOCATABLE :: ISAM_SPEC( :,: )\n INTEGER, ALLOCATABLE, SAVE :: MAP_SAtoCGR( : )\n INTEGER, ALLOCATABLE, SAVE :: MAP_CGRtoSA( : )\n LOGICAL, ALLOCATABLE, SAVE :: L_ISAM_AERO( : )\n INTEGER, ALLOCATABLE, SAVE :: MAP_ISAMtoAERO( : )\n INTEGER, ALLOCATABLE, SAVE :: MAP_AEROtoSA( :,: )\n INTEGER, ALLOCATABLE, SAVE :: MAP_AEROGAStoSA( : )\n INTEGER, ALLOCATABLE, SAVE :: MAP_AEROCTRtoSA( : )\n LOGICAL, ALLOCATABLE, SAVE :: IS_SPC_AEROSOL( :,: )\n LOGICAL, ALLOCATABLE, SAVE :: TRANSPORT_SPC ( : )\n LOGICAL, ALLOCATABLE, SAVE :: ISAM_SPECIES_BIAS( :,: )\n INTEGER, ALLOCATABLE, SAVE :: STREAM_TO_TAG ( :,: )\n INTEGER, ALLOCATABLE, SAVE :: TAGS_PER_STREAM( : )\n INTEGER, ALLOCATABLE, SAVE :: MAP_DIFFtoSA( : )\n INTEGER, ALLOCATABLE, SAVE :: MAP_ADVtoSA( : )\n \n INTEGER, ALLOCATABLE, SAVE :: ISAM_TO_AERO( : ) ! maps tracked species to bulk concentration if aerosol species\n INTEGER, ALLOCATABLE, SAVE :: SA_AERO_INDX( : ) ! index of tracked aerosol in ISAM concentration array\n\n INTEGER, ALLOCATABLE, SAVE :: ISAM_PVO3_MAP( : ) ! potential vorticity map\n\n INTEGER :: NSPC_SA_AE ! number of tracked species that are aerosols\n INTEGER :: N_SA_AEROSPC ! number of unique aerospc in all tracked aerosols\n\n INTEGER, SAVE :: NSPC_SA\n INTEGER, SAVE :: NTAG_SA\n INTEGER, SAVE :: NSPC_TRANSPORT\n INTEGER, PARAMETER :: NBIAS = 4 \n INTEGER, SAVE :: N_VOC_BIAS\n INTEGER, SAVE :: N_NOY_BIAS\n\nc...Define Allocatable Apportionment Arrays\n REAL, POINTER :: ISAM ( :,:,:,:,: )\n REAL, ALLOCATABLE :: AISAM ( :,:,:,:,: )\n REAL, ALLOCATABLE :: TOT_SADEP ( :,:,:,: )\n REAL, ALLOCATABLE :: CONV_SADEP ( :,:,:,: )\n REAL, ALLOCATABLE :: SA_VDEMIS_CONV( :,:,:,:,: ) ! full emissions array mapped to diffused species\n REAL, ALLOCATABLE :: SA_VDEMIS_CONV_OTHER( :,:,:,: ) ! emissions left for 'OTHRTAG'\n REAL, ALLOCATABLE :: SA_VDEMIS_DIFF( :,:,:,:,: ) \n\nc...Variables regarding the tag list\n CHARACTER( 16 ), ALLOCATABLE, SAVE :: TAGNAME( : )\n CHARACTER( 96 ) :: TAGCLASSES = ' '\n CHARACTER( 96 ), ALLOCATABLE, SAVE :: TAGSTREAMS_TEMP( : )\n CHARACTER( 96 ), ALLOCATABLE, SAVE :: TAGSTREAMS( :, : )\n INTEGER, ALLOCATABLE, SAVE :: TAGSTREAMS_NUM( : )\n\n CHARACTER( 96 ), ALLOCATABLE, SAVE :: ISAMRGN_TEMP( : )\n CHARACTER( 96 ), ALLOCATABLE, SAVE :: ISAMRGN( :, : )\n INTEGER, ALLOCATABLE, SAVE :: ISAMRGN_NUM( : )\n INTEGER, ALLOCATABLE, SAVE :: ISAMRGN_MAP( :, : )\n\nc...Logical values for tagging species\n LOGICAL, SAVE :: L_EC = .FALSE.\n LOGICAL, SAVE :: L_OC = .FALSE.\n LOGICAL, SAVE :: L_SO4 = .FALSE.\n LOGICAL, SAVE :: L_NO3 = .FALSE.\n LOGICAL, SAVE :: L_NH4 = .FALSE.\n LOGICAL, SAVE :: L_PM25 = .FALSE.\n LOGICAL, SAVE :: L_OZONE = .FALSE.\n LOGICAL, SAVE :: L_VOC = .FALSE.\n LOGICAL, SAVE :: L_CL = .FALSE.\n \n LOGICAL, SAVE :: SA_BIDI = .FALSE.\n\n! Chemical Mechanism Lists for Populating ISAM Species Arrays\n TYPE ISAM_LIST\n CHARACTER( 16 ), ALLOCATABLE :: LIST( : )\n END TYPE ISAM_LIST\n\n TYPE( ISAM_LIST ), ALLOCATABLE :: ISAM_SPEC_OZONE( : ),\n & ISAM_SPEC_NO3( : ), ISAM_SPEC_VOC( : ),\n & ISAM_SPEC_SO4( : ), ISAM_SPEC_HAPGAS( : ),\n & ISAM_BIAS_VOC( : ), ISAM_BIAS_NOY( : )\n\n! Full chemistry commented out because it produced floating\n! point error in advection when using debug flags.\n! LOGICAL, SAVE :: L_CHEMISTRY\n\n! Cloud Module variables - sln 4 june 2018\n REAL, SAVE :: DEPSUM_SAVE = 0.0\n REAL, SAVE :: DS4_SAVE = 0.0\n REAL, SAVE :: REMOV_SAVE = 0.0\n\n REAL, SAVE :: DEPSUM_AORGC_SAVE = 0.0\n REAL, SAVE :: DGLY1_SAVE = 0.0 \n REAL, SAVE :: DMGLY1_SAVE = 0.0 \n REAL, SAVE :: REMOV_AORGC_SAVE = 0.0\n\nc...Final, combined tags\n INTEGER :: N_SPCTAG\n INTEGER, ALLOCATABLE :: S_SPCTAG( : )\n INTEGER, ALLOCATABLE :: T_SPCTAG( : )\n CHARACTER( 16 ), ALLOCATABLE :: VNAM_SPCTAG( : )\n\nC ...Tagging indices for bcon, others, icon\n INTEGER, SAVE :: BIDITAG = 0\n INTEGER, SAVE :: BCONTAG = 0\n INTEGER, SAVE :: OTHRTAG = 0\n INTEGER, SAVE :: ICONTAG = 0\n\n REAL, PRIVATE, ALLOCATABLE :: BUFF2( :,: )\n\n! Diffusion module variables\n REAL, ALLOCATABLE, SAVE :: SA_DDEP( :,:,: )\n\n! Advection module variables\n LOGICAL, ALLOCATABLE, SAVE :: BCON_SPC( : )\n\n INTEGER, PARAMETER, PRIVATE :: MAX_STRING = 32 ! max length of tagclass name\n INTEGER, PARAMETER, PRIVATE :: MAX_TAGCLASSES = 200 ! max number of tagclasses\n INTEGER, PARAMETER, PRIVATE :: NUMB_CLASSES = 19 ! number of defined tagclasses\n \n CHARACTER( MAX_STRING ), PARAMETER, PRIVATE :: DEFINED_CLASSES( NUMB_CLASSES ) = \n & (/ 'AMMONIUM ',\n & 'OA_TOT ',\n & 'NVPOA ',\n & 'CHLORINE ',\n & 'EC ',\n & 'SULFATE ',\n & 'OZONE ',\n & 'NITRATE ',\n & 'VOC ',\n & 'PM_IONS ',\n & 'ALL ',\n & 'PM_TOT ',\n & 'HAP_GAS ',\n & 'HAP_AERO ',\n & 'HAP_TOT ',\n & 'URBAN_TOXICS',\n & 'PAH_TEQ ',\n & 'BENAPYRENE ',\n & 'MERCURY '/)\n \n \n CONTAINS\n\nC============================================================\n\n SUBROUTINE CNT_SA_IO_LIST ( NTAGS )\n\nC20140428 Counts the number of emissions tags in the input control file\nC Called by sa_dim.F\nC\nC\n\n USE UTILIO_DEFN ! 20120615\nc USE HGRD_DEFN \n USE RUNTIME_VARS, ONLY: ABFLUX, MYPE, LOGDEV\n \n IMPLICIT NONE\n\n CHARACTER( 16 ) :: PNAME = 'CNT_SA_IO_LIST'\n CHARACTER( 256 ) :: EQNAME \n INTEGER INPUT_UNIT\n INTEGER IOST\n CHARACTER( 80 ) :: XMSG \nC external functions\n INTEGER LEN_TRIM\n\n INTEGER, INTENT( OUT ) :: NTAGS\n INTEGER ILINE\n CHARACTER( 180 ) :: TXTLINE\n \nC-----------------------------------------------------------\n CALL NAMEVAL( 'SA_IOLIST', EQNAME )\n INPUT_UNIT = JUNIT()\n \n OPEN ( UNIT = INPUT_UNIT, FILE = EQNAME, STATUS = 'OLD', IOSTAT = IOST )\n XMSG = 'Error Opening ' // TRIM( EQNAME ) // ', the SA_IOLIST file'\n IF ( IOST .NE. 0 ) THEN\n CALL M3EXIT ( PNAME, 0, 0, XMSG, XSTAT1 )\n ENDIF\n\n IF ( MYPE .EQ. 0 ) THEN \n WRITE(LOGDEV, *) TRIM( EQNAME ) // ': Sucessfully Opened'\n WRITE(LOGDEV, *) 'Start counting the list...'\n ENDIF\n NTAGS = 0\n COUNTTAG: DO \n READ ( INPUT_UNIT, '(A)' ) TXTLINE\n IF ( TXTLINE( 1:7 ) .EQ. 'ENDLIST' ) EXIT COUNTTAG\n IF ( TXTLINE( 1:7 ) .EQ. 'TAG NAM' ) THEN\n NTAGS = NTAGS + 1\n !IF ( MYPE .EQ. 0 ) PRINT*, TXTLINE\n ENDIF ! if tag_name\nc check to see if bidirectional tag is necessary\n IF ( ABFLUX ) THEN\n IF ( INDEX( TXTLINE, 'TAG CLASSES') .GT. 0 ) THEN\n IOST = INDEX( TXTLINE,'AMMONIUM', BACK = .FALSE. )\n IF ( IOST .NE. 0 ) THEN\n SA_BIDI = .TRUE.\n NTAGS = NTAGS + 1\n END IF\n END IF\n END IF\n ENDDO COUNTTAG\n\n IF ( SA_BIDI ) BIDITAG = NTAGS ! set to last tag\n\n CLOSE( INPUT_UNIT )\n\n END SUBROUTINE CNT_SA_IO_LIST\nC============================================================\n\n SUBROUTINE RD_SA_IO_LIST ( NTAGS )\n\nC20140428 Read entries in each emissions tag in the input control file\nC Called by sa_dim.F\nC\nC\nC 05 Nov 2018: L.Zhou, S.Napelenok: Reorganized the control file\nc \n\n USE UTILIO_DEFN \n USE RUNTIME_VARS, ONLY: ABFLUX, MYPE, LOGDEV\n\n IMPLICIT NONE\nC arguments\n INTEGER, INTENT( IN ) :: NTAGS\n\n CHARACTER( 16 ) :: PNAME = 'RD_SA_IO_LIST'\n CHARACTER( 256 ) :: EQNAME \n INTEGER INPUT_UNIT\n INTEGER IOST\n CHARACTER( 120 ) :: XMSG \nC external functions\n INTEGER LEN_TRIM\n\n INTEGER ILINE\n INTEGER ITAG, TAGLOOP\n CHARACTER( 128 ) :: TXTLINE\n\nC...multi-sectors-for-a-single-tag 20130702\n INTEGER ISGSTK\n CHARACTER( 2 ) :: CSGSTK\n CHARACTER( 16 ) :: FNAME\n INTEGER DELIMINATOR_INDEX \n INTEGER BGN_SG\n INTEGER I, J ,k\n CHARACTER(1) :: CHR\n\nC-----------------------------------------------------------\n CALL NAMEVAL( 'SA_IOLIST', EQNAME )\n INPUT_UNIT = JUNIT()\n\n OPEN ( UNIT = INPUT_UNIT, FILE = EQNAME, STATUS = 'OLD', IOSTAT = IOST )\n XMSG = 'Error Opening ' // TRIM( EQNAME ) // ', the SA_IOLIST file'\n IF ( IOST .NE. 0 ) THEN\n CALL M3EXIT ( PNAME, 0, 0, XMSG, XSTAT1 )\n ENDIF\n\n CHR = CHAR(124)\n101 READ ( INPUT_UNIT, '(A)' ) TXTLINE\n IF ( TXTLINE(1:3) .EQ. '!!!' .OR. TXTLINE(1:3) .EQ. '' ) GOTO 101\n IF( INDEX( TXTLINE, 'TAG CLASSES' ) .GE. 1 )THEN\n DELIMINATOR_INDEX = INDEX( TXTLINE, CHAR( 124 ) ) + 1\n IF( DELIMINATOR_INDEX .LE. 1 )THEN\n XMSG = 'ISAM ERROR: TAG CLASSES line missing the \"|\" deliminator'\n CALL M3EXIT('SA_IOLIST', 0, 0, XMSG, XSTAT2 )\n END IF \n TAGCLASSES = TXTLINE( DELIMINATOR_INDEX:LEN_TRIM( TXTLINE ) )\n IF( LEN_TRIM( TAGCLASSES ) .LT. 1 )THEN\n XMSG = \"ISAM ERROR: TAGCLASSES in control file is blank. \"\n CALL M3EXIT('SA_IOLIST', 0, 0, XMSG, XSTAT2 )\n END IF\n ELSE \n XMSG = \"ISAM ERROR: First Nonblank or Noncomment line \"\n & // \"in control file must define TAG CLASSES. \"\n CALL M3EXIT('SA_IOLIST', 0, 0, XMSG, XSTAT2 )\n END IF\n\n IF ( MYPE .eq. 0 ) then\n WRITE(LOGDEV, *) 'Reading ISAM control file'\n WRITE(LOGDEV, *) 'TAGCLASSES = ',TRIM(TAGCLASSES)\n WRITE(LOGDEV, *) ' for ', NTAGS, ' tags'\n ENDIF\n\n IF ( SA_BIDI ) THEN\n TAGLOOP = NTAGS -1\n ELSE\n TAGLOOP = NTAGS\n ENDIF\n\n DO ITAG = 1, ( TAGLOOP )\n \n TAGNAME( ITAG ) = ' '\n ISAMRGN_TEMP( ITAG ) = ' '\n TAGSTREAMS_TEMP( ITAG ) = ' '\n \n102 READ ( INPUT_UNIT, '(A)' ) TXTLINE\n IF ( TXTLINE(1:3) .EQ. '!!!' .OR. TXTLINE(1:3) .EQ. '' ) GOTO 102\n IF( INDEX( TXTLINE, 'TAG NAME' ) .GE. 1 )THEN\n DELIMINATOR_INDEX = INDEX( TXTLINE, CHAR( 124 ) ) + 1\n IF( DELIMINATOR_INDEX .LE. 1 )THEN\n XMSG = 'ISAM ERROR: \"TAG NAME\" line missing the \"|\" deliminator'\n CALL M3EXIT('SA_IOLIST', 0, 0, XMSG, XSTAT2 )\n END IF \n TAGNAME( ITAG ) = TXTLINE( DELIMINATOR_INDEX:LEN_TRIM( TXTLINE ) )\n IF( LEN_TRIM( TAGNAME( ITAG ) ) .LT. 1 )THEN\n XMSG = 'ISAM ERROR: a \"TAG NAME\" in control file is blank. '\n CALL M3EXIT('SA_IOLIST', 0, 0, XMSG, XSTAT2 )\n END IF\n IF( INDEX( TAGNAME( ITAG ), \"_\", BACK = .FALSE. ) .GT. 0 )THEN\n XMSG = 'ISAM ERROR: TAG NAME: ' // TRIM( TAGNAME( ITAG ) ) \n & // ' cannot use the underscore character.'\n CALL M3EXIT('SA_IOLIST', 0, 0, XMSG, XSTAT2 )\n END IF\n ELSE \n XMSG = \"ISAM ERROR: First line defining a TAG \"\n & // 'in control file must contain the \"TAG NAME\" ' \n CALL M3EXIT('SA_IOLIST', 0, 0, XMSG, XSTAT2 )\n END IF\n\n103 READ ( INPUT_UNIT, '(A)' ) TXTLINE\n IF ( TXTLINE(1:3) .EQ. '!!!' .OR. TXTLINE(1:3) .EQ. '' ) GOTO 103\n IF( INDEX( TXTLINE, 'REGION' ) .GE. 1 )THEN\n DELIMINATOR_INDEX = INDEX( TXTLINE, CHAR( 124 ) ) + 1\n IF( DELIMINATOR_INDEX .LE. 1 )THEN\n XMSG = 'ISAM ERROR: a \"REGION(s)\" line missing the \"|\" deliminator'\n CALL M3EXIT('SA_IOLIST', 0, 0, XMSG, XSTAT2 )\n END IF \n ISAMRGN_TEMP( ITAG ) = TXTLINE( DELIMINATOR_INDEX:LEN_TRIM( TXTLINE ) )\n IF( LEN_TRIM( ISAMRGN_TEMP( ITAG ) ) .LT. 1 )THEN\n XMSG = 'ISAM ERROR: a \"REGION(s)\" in control file is blank. '\n CALL M3EXIT('SA_IOLIST', 0, 0, XMSG, XSTAT2 )\n END IF\n ELSE \n XMSG = \"ISAM ERROR: Second line defining a TAG \"\n & // 'in control file must contain the \"REGION(s)\" ' \n CALL M3EXIT('SA_IOLIST', 0, 0, XMSG, XSTAT2 )\n END IF\n\n104 READ ( INPUT_UNIT, '(A)' ) TXTLINE\n IF ( TXTLINE(1:3) .EQ. '!!!' .OR. TXTLINE(1:3) .EQ. '' ) GOTO 104\n IF( INDEX( TXTLINE, 'EMIS STREAM' ) .GE. 1 )THEN\n DELIMINATOR_INDEX = INDEX( TXTLINE, CHAR( 124 ) ) + 1\n IF( DELIMINATOR_INDEX .LE. 1 )THEN\n XMSG = 'ISAM ERROR: a \"EMIS STREAM(s)\" line missing the \"|\" deliminator'\n CALL M3EXIT('SA_IOLIST', 0, 0, XMSG, XSTAT2 )\n END IF \n TAGSTREAMS_TEMP( ITAG ) = TXTLINE( DELIMINATOR_INDEX:LEN_TRIM( TXTLINE ) )\n IF( LEN_TRIM( TAGSTREAMS_TEMP( ITAG ) ) .LT. 1 )THEN\n XMSG = 'ISAM ERROR: a \"EMIS STREAM(s)\" in control file is blank. '\n CALL M3EXIT('SA_IOLIST', 0, 0, XMSG, XSTAT2 )\n END IF\n ELSE \n XMSG = \"ISAM ERROR: Third line defining a TAG \"\n & // 'in control file must contain the \"EMIS STREAM(s)\" ' \n CALL M3EXIT('SA_IOLIST', 0, 0, XMSG, XSTAT2 )\n END IF\n\n END DO\n \nc add a bidirectional tag if necesssary\n IF ( SA_BIDI ) THEN\n TAGNAME( NTAGS ) = 'BID' \n ISAMRGN_TEMP( NTAGS ) = 'EVERYWHERE'\n TAGSTREAMS_TEMP( NTAGS ) = 'BIDIRECTIONALNH3'\n ENDIF\n\n END SUBROUTINE RD_SA_IO_LIST\nC============================================================\n \n SUBROUTINE GET_NSPC_SA ()\n\nC20140428 Determine number of ISAM species\nC Called by sa_dim.F\nC\n\n USE RUNTIME_VARS\n USE RXNS_DATA, ONLY : MECHNAME !Get Chemical Mechanism Name\n USE CGRID_SPCS, ONLY : NSPCSD, CGRID_NAME, N_AE_SPC, AE_SPC,\n & N_NR_SPC, NR_SPC, CGRID_MASK_GAS,\n & CGRID_MASK_NR \n\n USE AERO_DATA\n USE SOA_DEFN\n USE UTILIO_DEFN\n\n IMPLICIT NONE\n\n INTEGER :: ITAG, IMECH, IAERO, JAERO, ISPEC, IMODE\n INTEGER :: I, J, K\n INTEGER :: N_ISAM_MECH, NVL_RESET\n\n LOGICAL, ALLOCATABLE :: MERCURY_MECH ( : )\n CHARACTER( 32 ), ALLOCATABLE :: ISAM_MECHLIST( : )\n\n TYPE( ISAM_LIST ) :: ISAM_SPEC_HAPAERO, ISAM_SPEC_TOXICS,\n & ISAM_SPEC_PAHTEQ, ISAM_SPEC_MERCURY\n\n LOGICAL :: EFLAG = .FALSE. \n LOGICAL :: FOUND_SPECIES = .FALSE.\n INTEGER :: CLASSES_FOUND = 0\n \n CHARACTER( 400 ) :: XMSG\n CHARACTER( 16 ) :: GASNAME, CTRNAME\n\n INTEGER :: IOST\n CHARACTER( MAX_STRING ), ALLOCATABLE :: CLASS_NAMES( : )\n INTEGER :: NCLASSES = 0\n \nc----------------------------------------------------------\n\n N_ISAM_MECH = 9\n ALLOCATE( ISAM_MECHLIST( N_ISAM_MECH ), MERCURY_MECH ( N_ISAM_MECH ),\n & ISAM_SPEC_OZONE( N_ISAM_MECH ), ISAM_SPEC_VOC( N_ISAM_MECH ), \n & ISAM_SPEC_NO3 ( N_ISAM_MECH ), ISAM_SPEC_SO4( N_ISAM_MECH ), \n & ISAM_SPEC_HAPGAS( N_ISAM_MECH ),\n & ISAM_BIAS_VOC( N_ISAM_MECH ), ISAM_BIAS_NOY( N_ISAM_MECH ) )\n\n \n ISAM_MECHLIST = (/'CB6R3_AE7_AQ ', 'CB6R5_AE7_AQ ',\n & 'CB6R5M_AE7_AQ ', \n & 'SAPRC07TC_AE6_AQ ', 'SAPRC07TIC_AE6I_AQ', \n & 'SAPRC07TIC_AE7I_AQ', 'RACM2_AE6_AQ ',\n & 'CRACMM1_AQ ', 'CRACMM2 '/ ) \n\n MERCURY_MECH = (/ .TRUE., .TRUE., \n & .TRUE., .FALSE., \n & .FALSE., .FALSE.,\n & .FALSE., .FALSE. / ) \n\n ! Detect Mechanism Number\n IMECH = INDEX1( MECHNAME, N_ISAM_MECH, ISAM_MECHLIST )\n\n ! When Prescribing Species for Ozone, Nitrate and VOCs, do not\n ! worry about double-counting. The algorithm will look for each\n ! species in the ISAM_SPEC array before adding it. Put all of\n ! the species in each category that you think you will need.\n\n ! PRESCRIBE OZONE SPECIES\n DO J = 1,N_ISAM_MECH\n ALLOCATE( ISAM_SPEC_OZONE( J )%LIST( 4 ) )\n END DO\n !CB6R3_AE7_AQ\n ISAM_SPEC_OZONE( 1 )%LIST = (/'O3 ','O1D','HO2','O '/)\n \n !CB6R5_AE7_AQ\n ISAM_SPEC_OZONE( 2 )%LIST = (/'O3 ','O1D','HO2','O '/)\n \n !CB6R5M_AE7_AQ\n ISAM_SPEC_OZONE( 3 )%LIST = (/'O3 ','O1D','HO2','O '/)\n \n !SAPRC07TC_AE6_AQ\n ISAM_SPEC_OZONE( 4 )%LIST = (/'O3 ','O1D','HO2','O3P'/)\n \n !SAPRC07TIC_AE6I_AQ\n ISAM_SPEC_OZONE( 5 )%LIST = (/'O3 ','O1D','HO2','O3P'/)\n \n !SAPRC07TIC_AE7I_AQ\n ISAM_SPEC_OZONE( 6 )%LIST = (/'O3 ','O1D','HO2','O3P'/)\n \n !RACM2_AE6_AQ\n ISAM_SPEC_OZONE( 7 )%LIST = (/'O3 ','O1D','HO2','O3P'/)\n\n !CRACMM1_AQ\n ISAM_SPEC_OZONE( 8 )%LIST = (/'O3 ','O1D','HO2','O3P'/)\n\n !CRACMM2\n ISAM_SPEC_OZONE( 9 )%LIST = (/'O3 ','O1D','HO2','O3P'/)\n\n ! PRESCRIBE VOC SPECIES\n !CB6R3_AE7_AQ\n ALLOCATE( ISAM_SPEC_VOC( 1 )%LIST( 28 ) )\n ISAM_SPEC_VOC( 1 )%LIST = (/'ALD2 ','ALDX ','ETH ',\n & 'ETHA ','ETOH ','FORM ','IOLE ','ISOP ',\n & 'MEOH ','OLE ','PAR ','TERP ','TOL ',\n & 'XYLMN ','NAPH ','ETHY ','PRPA ','ACET ',\n & 'KET ','GLY ','BENZENE','GLYD ','MEPX ',\n & 'APIN ','SOAALK ','ECH4 ','CO ','MGLY '/)\n\n !CB6R5_AE7_AQ\n ALLOCATE( ISAM_SPEC_VOC( 2 )%LIST( 28 ) )\n ISAM_SPEC_VOC( 2 )%LIST = (/'ALD2 ','ALDX ','ETH ',\n & 'ETHA ','ETOH ','FORM ','IOLE ','ISOP ',\n & 'MEOH ','OLE ','PAR ','TERP ','TOL ',\n & 'XYLMN ','NAPH ','ETHY ','PRPA ','ACET ',\n & 'KET ','GLY ','BENZENE','GLYD ','MEPX ',\n & 'APIN ','SOAALK ','ECH4 ','CO ','MGLY '/)\n\n !CB6R5M_AE7_AQ\n ALLOCATE( ISAM_SPEC_VOC( 3 )%LIST( 28 ) )\n ISAM_SPEC_VOC( 3 )%LIST = (/'ALD2 ','ALDX ','ETH ',\n & 'ETHA ','ETOH ','FORM ','IOLE ','ISOP ',\n & 'MEOH ','OLE ','PAR ','TERP ','TOL ',\n & 'XYLMN ','NAPH ','ETHY ','PRPA ','ACET ',\n & 'KET ','GLY ','BENZENE','GLYD ','MEPX ',\n & 'APIN ','SOAALK ','ECH4 ','CO ','MGLY '/)\n\n !SAPRC07TC_AE6_AQ\n ALLOCATE( ISAM_SPEC_VOC( 4 )%LIST( 41 ) )\n ISAM_SPEC_VOC( 4 )%LIST = (/'HCHO ','CCHO ',\n & 'RCHO ','xHCHO ','xCCHO ','xRCHO ',\n & 'ALK1 ','ALK2 ','ALK3 ','ALK4 ',\n & 'ALK5 ','ETHENE ','ACETYLENE ','PROPENE ',\n & 'ISOPRENE ','TERP ','SESQ ','APIN ',\n & 'OLE1 ','OLE2 ','ETOH ','MEOH ',\n & 'GLY ','MGLY ','BENZENE ','TMBENZ124 ',\n & 'TOLUENE ','MXYL ','OXYL ','PXYL ',\n & 'NAPHTHAL ','ARO1 ','ARO2MN ','BUTADIENE13',\n & 'ACROLEIN ','ACETONE ','MEK ','MVK ',\n & 'MACR ','SOAALK ','CO '/ )\n\n !SAPRC07TIC_AE6I_AQ\n ALLOCATE( ISAM_SPEC_VOC( 5 )%LIST( 41 ) )\n ISAM_SPEC_VOC( 5 )%LIST = (/'HCHO ','CCHO ',\n & 'RCHO ','xHCHO ','xCCHO ','xRCHO ',\n & 'ALK1 ','ALK2 ','ALK3 ','ALK4 ',\n & 'ALK5 ','ETHENE ','ACETYLENE ','PROPENE ',\n & 'ISOPRENE ','TERP ','SESQ ','APIN ',\n & 'OLE1 ','OLE2 ','ETOH ','MEOH ',\n & 'GLY ','MGLY ','BENZENE ','TMBENZ124 ',\n & 'TOLUENE ','MXYL ','OXYL ','PXYL ',\n & 'NAPHTHAL ','ARO1 ','ARO2MN ','BUTADIENE13',\n & 'ACROLEIN ','ACETONE ','MEK ','MVK ',\n & 'MACR ','SOAALK ','CO '/ )\n\n !SAPRC07TIC_AE7I_AQ\n ALLOCATE( ISAM_SPEC_VOC( 6 )%LIST( 41 ) )\n ISAM_SPEC_VOC( 6 )%LIST = (/'HCHO ','CCHO ',\n & 'RCHO ','xHCHO ','xCCHO ','xRCHO ',\n & 'ALK1 ','ALK2 ','ALK3 ','ALK4 ',\n & 'ALK5 ','ETHENE ','ACETYLENE ','PROPENE ',\n & 'ISOPRENE ','TERP ','SESQ ','APIN ',\n & 'OLE1 ','OLE2 ','ETOH ','MEOH ',\n & 'GLY ','MGLY ','BENZENE ','TMBENZ124 ',\n & 'TOLUENE ','MXYL ','OXYL ','PXYL ',\n & 'NAPHTHAL ','ARO1 ','ARO2MN ','BUTADIENE13',\n & 'ACROLEIN ','ACETONE ','MEK ','MVK ',\n & 'MACR ','SOAALK ','CO '/ )\n\n !RACM2_AE6_AQ\n ALLOCATE( ISAM_SPEC_VOC( 7 )%LIST( 38 ) )\n ISAM_SPEC_VOC( 7 )%LIST = (/'HCHO ','ACD ','ALD ',\n & 'UALD ','HC3 ','HC5 ','HC8 ','OLI ',\n & 'OLT ','ETH ','ETE ','ACE ','ISO ',\n & 'SESQ ','LIM ','API ','EOH ','MOH ',\n & 'GLY ','MGLY ','BENZENE','TOL ','XYM ',\n & 'XYO ','XYP ','NAPH ','DIEN ','ACT ',\n & 'HKET ','KET ','MVK ','MEK ','MACR ',\n & 'DCB1 ','DCB2 ','DCB3 ','SOAALK ','CO '/ )\n\n !CRACMM1_AQ\n ALLOCATE( ISAM_SPEC_VOC( 8 )%LIST( 96 ) )\n ISAM_SPEC_VOC( 8 )%LIST = (/'ACD ','ACE ','ACRO ',\n & 'ACT ','ALD ','API ','BALD ','BDE13 ',\n & 'BEN ','CSL ','DCB1 ','DCB2 ','DCB3 ',\n & 'ELHOM ','EOH ','ETE ','ETEG ','ETH ',\n & 'FURAN ','FURANONE ','GLY ','HOM ','HC3 ',\n & 'HC5 ','HC10 ','HCHO ','HKET ','IEPOX ',\n & 'ISHP ','IPN ','IHN ','IPC ','ISO ',\n & 'KET ','LIM ','LIMAL ','MACR ','MAHP ',\n & 'MCT ','MEK ','MGLY ','MOH ','MVK ',\n & 'NAPH ','OLI ','OLT ','OP1 ','OP2 ',\n & 'OP3 ','OPB ','ORA1 ','ORA2 ','PINAL ',\n & 'PHEN ','PROG ','ROH ','SESQ ','SLOWROC ',\n & 'TOL ','UALD ','XYM ','XYE ','PAA ',\n & 'PAN ','PPN ','MPAN ','ONIT ','ISON ',\n & 'TRPN ','VROCIOXY ','VROCP5ARO ','VROCP6ARO ','VROCN2ALK ',\n & 'VROCN1ALK ','VROCP0ALK ','VROCP1ALK ','VROCP2ALK ','VROCP3ALK ',\n & 'VROCP4ALK ','VROCP5ALK ','VROCP6ALK ','VROCN2OXY2','VROCN2OXY4',\n & 'VROCN2OXY8','VROCN1OXY1','VROCN1OXY3','VROCN1OXY6','VROCP0OXY2',\n & 'VROCP0OXY4','VROCP1OXY1','VROCP1OXY3','VROCP2OXY2','VROCP3OXY2',\n & 'VROCP4OXY2','VROCP5OXY1','VROCP6OXY1'/ )\n\n !CRACMM2\n ALLOCATE( ISAM_SPEC_VOC( 9 )%LIST( 97 ) )\n ISAM_SPEC_VOC( 9 )%LIST = (/'ACD ','ACE ','ACRO ',\n & 'ACT ','ALD ','API ','BALD ','BDE13 ',\n & 'BEN ','CSL ','DCB1 ','DCB2 ','DCB3 ',\n & 'EBZ ','ELHOM ','EOH ','ETE ','ETEG ',\n & 'ETH ','FURAN ','FURANONE ','GLY ','HOM ',\n & 'HC3 ','HC5 ','HC10 ','HCHO ','HKET ',\n & 'HONIT ','IEPOX ','ISHP ','IPX ','ISO ',\n & 'KET ','LIM ','LIMAL ','MACR ','MAHP ',\n & 'MCT ','MEK ','MGLY ','MOH ','MVK ',\n & 'NAPH ','OLI ','OLT ','OP1 ','OP2 ',\n & 'OP3 ','OPB ','ORA1 ','ORA2 ','PINAL ',\n & 'PHEN ','PROG ','ROH ','SESQ ','SLOWROC ',\n & 'STY ','TOL ','UALD ','XYL ','PAA ',\n & 'PAN ','PPN ','MPAN ','ONIT ','ISON ',\n & 'TRPN ','VROCIOXY ','VROCP5ARO ','VROCP6ARO ','VROCN2ALK ',\n & 'VROCN1ALK ','VROCP0ALK ','VROCP1ALK ','VROCP2ALK ','VROCP3ALK ',\n & 'VROCP4ALK ','VROCP5ALK ','VROCP6ALK ','VROCN2OXY2','VROCN2OXY4',\n & 'VROCN2OXY8','VROCN1OXY1','VROCN1OXY3','VROCN1OXY6','VROCP0OXY2',\n & 'VROCP0OXY4','VROCP1OXY1','VROCP1OXY3','VROCP2OXY2','VROCP3OXY2',\n & 'VROCP4OXY2','VROCP5OXY1','VROCP6OXY1','ECH4 '/ )\n\n !PRESCRIBE NITRATE SPECIES\n !CB6R3_AE7_AQ\n ALLOCATE( ISAM_SPEC_NO3( 1 )%LIST( 22 ) )\n ISAM_SPEC_NO3( 1 )%LIST = (/'HNO3 ','NO ','NO2 ','NO3 ',\n & 'HONO ','N2O5 ','PAN ','XO2N ','NTR1 ','NTR2 ','INTR ',\n & 'PNA ','PANX ','CLNO2','CLNO3','XO2 ','XO2H ','MEO2 ',\n & 'ISO2 ','C2O3 ','CXO3 ','ROR '/ )\n \n !CB6R5_AE7_AQ\n ALLOCATE( ISAM_SPEC_NO3( 2 )%LIST( 22 ) )\n ISAM_SPEC_NO3( 2 )%LIST = (/'HNO3 ','NO ','NO2 ','NO3 ',\n & 'HONO ','N2O5 ','PAN ','XO2N ','NTR1 ','NTR2 ','INTR ',\n & 'PNA ','PANX ','CLNO2','CLNO3','XO2 ','XO2H ','MEO2 ',\n & 'ISO2 ','C2O3 ','CXO3 ','ROR '/ )\n \n !CB6R5M_AE7_AQ\n ALLOCATE( ISAM_SPEC_NO3( 3 )%LIST( 27 ) )\n ISAM_SPEC_NO3( 3 )%LIST = (/'HNO3 ','NO ','NO2 ','NO3 ',\n & 'HONO ','N2O5 ','PAN ','XO2N ','NTR1 ','NTR2 ','INTR ',\n & 'PNA ','PANX ','CLNO2','CLNO3','BRNO2','BRNO3','INO ',\n & 'INO2 ','INO3 ','XO2 ','XO2H ','MEO2 ','ISO2 ','C2O3 ',\n & 'CXO3 ','ROR '/ )\n\n !SAPRC07TC_AE6_AQ\n ALLOCATE( ISAM_SPEC_NO3( 4 )%LIST( 25 ) )\n ISAM_SPEC_NO3( 4 )%LIST = (/'HNO3 ','NO ','NO2 ','NO3 ',\n & 'HONO ','N2O5 ','PAN ','HNO4 ','RNO3 ','PAN2 ','CLNO ',\n & 'CLONO ','CLONO2','xNO2 ','MEO2 ','xMEO2 ','RO2C ','RO2XC ',\n & 'MECO3 ','xMECO3','RCO3 ','xRCO3 ','BZCO3 ','PBZN ','MACO3 '/ )\n\n !SAPRC07TIC_AE6I_AQ\n ALLOCATE( ISAM_SPEC_NO3( 5 )%LIST( 40 ) )\n ISAM_SPEC_NO3( 5 )%LIST = (/'HNO3 ','NO ','NO2 ',\n & 'NO3 ','HONO ','N2O5 ','PAN ','HNO4 ',\n & 'RNO3 ','PAN2 ','CLNO ','CLONO ','CLONO2 ',\n & 'ETHLN ','IMAE ','IMAPAN ','ISOPNN ','MACRN ',\n & 'NIT1 ','MVKN ','PROPNN ','MTNO3 ','xNO2 ',\n & 'MEO2 ','xMEO2 ','RO2C ','RO2XC ','MECO3 ',\n & 'xMECO3 ','RCO3 ','xRCO3 ','BZCO3 ','PBZN ',\n & 'MACO3 ','TERPNRO2','ISOPO2 ','NISOPO2 ','MVKOO ',\n & 'MACROO ','RNO3I '/)\n \n !SAPRC07TIC_AE7I_AQ\n ALLOCATE( ISAM_SPEC_NO3( 6 )%LIST( 40 ) )\n ISAM_SPEC_NO3( 6 )%LIST = (/'HNO3 ','NO ','NO2 ',\n & 'NO3 ','HONO ','N2O5 ','PAN ','HNO4 ',\n & 'RNO3 ','PAN2 ','CLNO ','CLONO ','CLONO2 ',\n & 'ETHLN ','IMAE ','IMAPAN ','ISOPNN ','MACRN ',\n & 'NIT1 ','MVKN ','PROPNN ','MTNO3 ','xNO2 ',\n & 'MEO2 ','xMEO2 ','RO2C ','RO2XC ','MECO3 ',\n & 'xMECO3 ','RCO3 ','xRCO3 ','BZCO3 ','PBZN ',\n & 'MACO3 ','TERPNRO2','ISOPO2 ','NISOPO2 ','MVKOO ',\n & 'MACROO ','RNO3I '/)\n\n !RACM2_AE6_AQ\n ALLOCATE( ISAM_SPEC_NO3( 7 )%LIST( 23 ) )\n ISAM_SPEC_NO3( 7 )%LIST = (/'HNO3','NO ','NO2 ','NO3 ','HONO',\n & 'N2O5','PAN ','HNO4','ONIT','MPAN','ACO3','MO2 ','HC3P',\n & 'HC5P','HC8P','KETP','ISOP','ETHP','RCO3','XYLP','TR2 ',\n & 'BENP','ETEP'/ )\n\n !CRACMM1_AQ\n ALLOCATE( ISAM_SPEC_NO3( 8 )%LIST( 27 ) )\n ISAM_SPEC_NO3( 8 )%LIST = (/ 'HNO3 ','NO ','NO2 ','NO3 ','HONO ',\n & 'N2O5 ','PAN ','HNO4 ','ONIT ','MPAN ','PPN ','ISON ','TRPN ',\n & 'NALD ','ACO3 ','MO2 ','HC3P ','HC5P ','HC10P','KETP ','ISOP ',\n & 'ETHP ','RCO3 ','XYLP ','TR2 ','BENP ','ETEP '/ )\n\n !CRACMM2\n ALLOCATE( ISAM_SPEC_NO3( 9 )%LIST( 27 ) )\n ISAM_SPEC_NO3( 9 )%LIST = (/ 'HNO3 ','NO ','NO2 ','NO3 ','HONO ',\n & 'N2O5 ','PAN ','HNO4 ','ONIT ','MPAN ','PPN ','ISON ','TRPN ',\n & 'INALD','ACO3 ','MO2 ','HC3P ','HC5P ','HC10P','KETP ','ISOP ',\n & 'ETHP ','RCO3 ','XYLP ','TR2 ','BENP ','ETEP '/ )\n \n !PRESCRIBE SPECIES RELEVANT FOR ASSIGNING BIAS TO VOCs\n !CB6R3_AE7_AQ\n ALLOCATE( ISAM_BIAS_VOC( 1 )%LIST( 10 ) )\n ISAM_BIAS_VOC( 1 )%LIST = (/'ALD2','ALDX','FORM','ACET',\n & 'KET ','XO2 ','XO2H','ISO2','C2O3','CXO3'/ )\n \n !CB6R5_AE7_AQ\n ALLOCATE( ISAM_BIAS_VOC( 2 )%LIST( 10 ) )\n ISAM_BIAS_VOC( 2 )%LIST = (/'ALD2','ALDX','FORM','ACET',\n & 'KET ','XO2 ','XO2H','ISO2','C2O3','CXO3'/ )\n \n !CB6R5M_AE7_AQ\n ALLOCATE( ISAM_BIAS_VOC( 3 )%LIST( 10 ) )\n ISAM_BIAS_VOC( 3 )%LIST = (/'ALD2','ALDX','FORM','ACET',\n & 'KET ','XO2 ','XO2H','ISO2','C2O3','CXO3'/ )\n\n !SAPRC07TC_AE6_AQ\n ALLOCATE( ISAM_BIAS_VOC( 4 )%LIST( 12 ) )\n ISAM_BIAS_VOC( 4 )%LIST = (/'HCHO ','CCHO ','RCHO ',\n & 'xHCHO ','xCCHO ','xRCHO ','ACROLEIN','ACETONE ',\n & 'MECO3 ','xMECO3 ','RCO3 ','xRCO3 '/ )\n\n !SAPRC07TIC_AE6I_AQ\n ALLOCATE( ISAM_BIAS_VOC( 5 )%LIST( 14 ) )\n ISAM_BIAS_VOC( 5 )%LIST = (/'HCHO ','CCHO ','RCHO ',\n & 'xHCHO ','xCCHO ','xRCHO ','ACROLEIN','ACETONE ',\n & 'RO2C ','RO2XC ','MECO3 ','xMECO3 ','RCO3 ',\n & 'xRCO3 '/ )\n\n !SAPRC07TIC_AE7I_AQ\n ALLOCATE( ISAM_BIAS_VOC( 6 )%LIST( 14 ) )\n ISAM_BIAS_VOC( 6 )%LIST = (/'HCHO ','CCHO ','RCHO ',\n & 'xHCHO ','xCCHO ','xRCHO ','ACROLEIN','ACETONE ',\n & 'RO2C ','RO2XC ','MECO3 ','xMECO3 ','RCO3 ',\n & 'xRCO3 '/ )\n \n !RACM2_AE6_AQ\n ALLOCATE( ISAM_BIAS_VOC( 7 )%LIST( 12 ) )\n ISAM_BIAS_VOC( 7 )%LIST = (/'HCHO','ACD ','ALD ','UALD',\n & 'KET ','ACO3','HC3P','HC5P','HC8P','ISOP','RCO3',\n & 'XYLP'/ )\n\n !CRACMM1_AQ\n ALLOCATE( ISAM_BIAS_VOC( 8 )%LIST( 13 ) )\n ISAM_BIAS_VOC( 8 )%LIST = (/'HCHO ','ACD ','ALD ','UALD ',\n & 'KET ','ACO3 ','HC3P ','HC5P ','HC10P','ISOP ','RCO3 ',\n & 'XYEP ', 'XYMP '/ )\n\n !CRACMM2\n ALLOCATE( ISAM_BIAS_VOC( 9 )%LIST( 12 ) )\n ISAM_BIAS_VOC( 9 )%LIST = (/'HCHO ','ACD ','ALD ','UALD ',\n & 'KET ','ACO3 ','HC3P ','HC5P ','HC10P','ISOP ','RCO3 ',\n & 'XYLP '/ )\n\n !PRESCRIBE SPECIES RELEVANT FOR ASSIGNING BIAS TO NOx EMISSIONS\n !CB6R3_AE7_AQ\n ALLOCATE( ISAM_BIAS_NOY( 1 )%LIST( 6 ) )\n ISAM_BIAS_NOY( 1 )%LIST = (/'HNO3','NO ','NO2 ','NO3 ',\n & 'HONO','N2O5'/ )\n \n !CB6R5_AE7_AQ\n ALLOCATE( ISAM_BIAS_NOY( 2 )%LIST( 6 ) )\n ISAM_BIAS_NOY( 2 )%LIST = (/'HNO3','NO ','NO2 ','NO3 ',\n & 'HONO','N2O5'/ )\n\n !CB6R5M_AE7_AQ\n ALLOCATE( ISAM_BIAS_NOY( 3 )%LIST( 6 ) )\n ISAM_BIAS_NOY( 3 )%LIST = (/'HNO3','NO ','NO2 ','NO3 ',\n & 'HONO','N2O5'/ )\n\n !SAPRC07TC_AE6_AQ\n ALLOCATE( ISAM_BIAS_NOY( 4 )%LIST( 6 ) )\n ISAM_BIAS_NOY( 4 )%LIST = (/'HNO3','NO ','NO2 ','NO3 ',\n & 'HONO','N2O5'/ )\n\n !SAPRC07TIC_AE6I_AQ\n ALLOCATE( ISAM_BIAS_NOY( 5 )%LIST( 7 ) )\n ISAM_BIAS_NOY( 5 )%LIST = (/'HNO3','NO ','NO2 ','NO3 ',\n & 'HONO','N2O5','xNO2'/ )\n\n !SAPRC07TIC_AE7I_AQ\n ALLOCATE( ISAM_BIAS_NOY( 6 )%LIST( 7 ) )\n ISAM_BIAS_NOY( 6 )%LIST = (/'HNO3','NO ','NO2 ','NO3 ',\n & 'HONO','N2O5','xNO2'/ )\n\n !RACM2_AE6_AQ\n ALLOCATE( ISAM_BIAS_NOY( 7 )%LIST( 6 ) )\n ISAM_BIAS_NOY( 7 )%LIST = (/'HNO3','NO ','NO2 ','NO3 ',\n & 'HONO','N2O5' / )\n\n !CRACMM1_AQ\n ALLOCATE( ISAM_BIAS_NOY( 8 )%LIST( 6 ) )\n ISAM_BIAS_NOY( 8 )%LIST = (/'HNO3','NO ','NO2 ','NO3 ',\n & 'HONO','N2O5' / )\n\n !CRACMM2\n ALLOCATE( ISAM_BIAS_NOY( 9 )%LIST( 6 ) )\n ISAM_BIAS_NOY( 9 )%LIST = (/'HNO3','NO ','NO2 ','NO3 ',\n & 'HONO','N2O5' / )\n\n !PRESCRIBE SULFATE SPECIES\n !CB6R3_AE7_AQ\n ALLOCATE( ISAM_SPEC_SO4( 1 )%LIST( 1 ) )\n ISAM_SPEC_SO4( 1 )%LIST = (/'SO2'/ )\n \n !CB6R5_AE7_AQ\n ALLOCATE( ISAM_SPEC_SO4( 2 )%LIST( 1 ) )\n ISAM_SPEC_SO4( 2 )%LIST = (/'SO2', 'DMS'/ )\n \n !CB6R5M_AE7_AQ\n ALLOCATE( ISAM_SPEC_SO4( 3 )%LIST( 2 ) )\n ISAM_SPEC_SO4( 3 )%LIST = (/'SO2','DMS'/ )\n\n !SAPRC07TC_AE6_AQ\n ALLOCATE( ISAM_SPEC_SO4( 4 )%LIST( 1 ) )\n ISAM_SPEC_SO4( 4 )%LIST = (/'SO2'/ )\n\n !SAPRC07TIC_AE6I_AQ\n ALLOCATE( ISAM_SPEC_SO4( 5 )%LIST( 1 ) )\n ISAM_SPEC_SO4( 5 )%LIST = (/'SO2'/ )\n \n !SAPRC07TIC_AE7I_AQ\n ALLOCATE( ISAM_SPEC_SO4( 6 )%LIST( 1 ) )\n ISAM_SPEC_SO4( 6 )%LIST = (/'SO2'/ )\n\n !RACM2_AE6_AQ\n ALLOCATE( ISAM_SPEC_SO4( 7 )%LIST( 1 ) )\n ISAM_SPEC_SO4( 7 )%LIST = (/'SO2'/ )\n\n !CRACMM1_AQ\n ALLOCATE( ISAM_SPEC_SO4( 8 )%LIST( 1 ) )\n ISAM_SPEC_SO4( 8 )%LIST = (/'SO2'/ )\n\n !CRACMM2\n ALLOCATE( ISAM_SPEC_SO4( 9 )%LIST( 1 ) )\n ISAM_SPEC_SO4( 9 )%LIST = (/'SO2'/ )\n\n !PRESCRIBE HAP SPECIES\n !CB6R3_AE7_AQ\n ALLOCATE( ISAM_SPEC_HAPGAS( 1 )%LIST( 7 ) )\n ISAM_SPEC_HAPGAS( 1 )%LIST = (/'FORM_PRIMARY','ALD2_PRIMARY',\n & 'ACROLEIN ','BUTADIENE13 ','ACRO_PRIMARY',\n & 'TOLU ','CL2 '/)\n\n !CB6R5_AE7_AQ\n ALLOCATE( ISAM_SPEC_HAPGAS( 2 )%LIST( 7 ) )\n ISAM_SPEC_HAPGAS( 2 )%LIST = (/'FORM_PRIMARY','ALD2_PRIMARY',\n & 'ACROLEIN ','BUTADIENE13 ','ACRO_PRIMARY',\n & 'TOLU ','CL2 '/)\n\n !CB6R5M_AE7_AQ\n ALLOCATE( ISAM_SPEC_HAPGAS( 3 )%LIST( 7 ) )\n ISAM_SPEC_HAPGAS( 3 )%LIST = (/'FORM_PRIMARY','ALD2_PRIMARY',\n & 'ACROLEIN ','BUTADIENE13 ','ACRO_PRIMARY',\n & 'TOLU ','CL2 '/)\n\n !SAPRC07TC_AE6_AQ\n ALLOCATE( ISAM_SPEC_HAPGAS( 4 )%LIST( 6 ) )\n ISAM_SPEC_HAPGAS( 4 )%LIST = (/'HCHO_PRIMARY','CCHO_PRIMARY',\n & 'ACROLEIN ','BUTADIENE13 ','ACRO_PRIMARY',\n & 'CL2 '/)\n\n !SAPRC07TIC_AE6I_AQ\n ALLOCATE( ISAM_SPEC_HAPGAS( 5 )%LIST( 6 ) )\n ISAM_SPEC_HAPGAS( 5 )%LIST = (/'HCHO_PRIMARY','CCHO_PRIMARY',\n & 'ACROLEIN ','BUTADIENE13 ','ACRO_PRIMARY',\n & 'CL2 '/)\n\n !SAPRC07TIC_AE7I_AQ\n ALLOCATE( ISAM_SPEC_HAPGAS( 6 )%LIST( 6 ) )\n ISAM_SPEC_HAPGAS( 6 )%LIST = (/'HCHO_PRIMARY','CCHO_PRIMARY',\n & 'ACROLEIN ','BUTADIENE13 ','ACRO_PRIMARY',\n & 'CL2 '/)\n\n !RACM2_AE6_AQ\n ALLOCATE( ISAM_SPEC_HAPGAS( 7 )%LIST( 1 ) )\n ISAM_SPEC_HAPGAS( 7 )%LIST = (/'DIEN '/)\n\n !CRACMM1_AQ\n ALLOCATE( ISAM_SPEC_HAPGAS( 8 )%LIST( 1 ) )\n ISAM_SPEC_HAPGAS( 8 )%LIST = (/'HCHO '/)\n\n !CRACMM2\n ALLOCATE( ISAM_SPEC_HAPGAS( 9 )%LIST( 1 ) )\n ISAM_SPEC_HAPGAS( 9 )%LIST = (/'HCHO '/)\n\n !AEROSOL HAPS\n ALLOCATE( ISAM_SPEC_HAPAERO%LIST( 14 ) )\n ISAM_SPEC_HAPAERO%LIST = (/'ANI ','ACR_VI ','ACR_III ','ABE ',\n & 'APB ','ADE_OTHR','ADE_EC ','ADE_OC ',\n & 'ADE_NO3 ','ADE_SO4 ','ADE_CORS','ACD ',\n & 'AMN_HAPS','AAS ' /)\n\n\n !NONREACTIVE TEQ TRACERS for Polycylic Aromatic Hydrocarbons\n ALLOCATE( ISAM_SPEC_PAHTEQ%LIST( 9 ) )\n ISAM_SPEC_PAHTEQ%LIST = ( /'PAH_000E0','PAH_176E5','PAH_880E5','PAH_176E4',\n & 'PAH_176E3','PAH_192E3','PAH_101E2','PAH_176E2',\n & 'PAH_114E1'/) \n\n ALLOCATE( ISAM_SPEC_TOXICS%LIST( 30 ) )\n ISAM_SPEC_TOXICS%LIST( 1:30 ) = (/'ACRY_NITRILE','CARBONTET ','PROPYL_DICL ',\n & 'DICL_PROPENE','CL4_ETHANE ','CHCL3 ','BR2_C2_12 ','CL2_C2_12 ',\n & 'ETOX ','ACET_NITRILE','XYLENE ','STYRENE ','ACRYACID ',\n & 'HEXANE ','METHCHLORIDE','CARBSULFIDE ','CHLOROPRENE ','ETHYLBENZENE',\n & 'HEXMETH_DIS ','HYDRAZINE ','MAL_ANHYDRID','CL_ETHE ','NAPHTHALENE ',\n & 'QUINOLINE ','TOL_DIIS ','TRIETHYLAMIN','DICL_BENZENE','CL2_ME ',\n & 'CL4_ETHE ','CL3_ETHE '/)\n\n\n ALLOCATE( ISAM_SPEC_MERCURY%LIST( 4 ) )\n ISAM_SPEC_MERCURY%LIST = ( /'HG ','HGIIGAS ', 'HGIIAER ',\n & 'APHG '/)\n \n \n ! Allocate Vecotrs for Species Names and Aerosol Precursors\n ALLOCATE ( ISAM_SPEC( NSPCSD, NTAG_SA ), STAT = IOST )\n CALL CHECKMEM( IOST, 'ISAM_SPEC', 'GET_NSPC_SA' )\n ISAM_SPEC = ''\n\n ALLOCATE ( MAP_ISAMtoAERO( NSPCSD ), STAT = IOST )\n CALL CHECKMEM( IOST, 'MAP_ISAMtoAERO', 'GET_NSPC_SA' )\n MAP_ISAMtoAERO = 0\n\n ALLOCATE ( MAP_AEROtoSA( N_AEROSPC, N_MODE ), STAT = IOST )\n CALL CHECKMEM( IOST, 'MAP_AEROtoSA', 'GET_NSPC_SA' )\n MAP_AEROtoSA = 0\n\n ALLOCATE ( MAP_AEROGAStoSA( N_AEROSPC ), STAT = IOST )\n CALL CHECKMEM( IOST, 'MAP_AEROGAStoSA', 'GET_NSPC_SA' )\n MAP_AEROGAStoSA = 0\n\n ALLOCATE ( MAP_AEROCTRtoSA( N_AEROSPC ), STAT = IOST )\n CALL CHECKMEM( IOST, 'MAP_AEROCTRtoSA', 'GET_NSPC_SA' )\n MAP_AEROCTRtoSA = 0\n\n ALLOCATE ( L_ISAM_AERO( N_AEROSPC ), STAT = IOST )\n CALL CHECKMEM( IOST, 'L_ISAM_AERO', 'GET_NSPC_SA' )\n L_ISAM_AERO = .FALSE.\n \n ! Allocate ISAM_SPECIES_BIAS array\n ALLOCATE ( ISAM_SPECIES_BIAS( NBIAS,NSPCSD ), STAT = IOST )\n ISAM_SPECIES_BIAS = .FALSE.\n IF ( IMECH .GT. 0 ) THEN\n N_VOC_BIAS = SIZE( ISAM_BIAS_VOC( IMECH )%LIST )\n N_NOY_BIAS = SIZE( ISAM_BIAS_NOY( IMECH )%LIST )\n END IF\n\n ! Retrieve User-Defined Tag-Classes and Print Errors/Crash CMAQ\n ! if the User is requesting tag-classes that aren't defined\n ALLOCATE( CLASS_NAMES( MAX_TAGCLASSES ) )\n CALL CHECKMEM( IOST, 'CLASS_NAMES', 'GET_NSPC_SA' )\n CALL PARSE_STRING( TAGCLASSES, NCLASSES, CLASS_NAMES )\n \n IF( NCLASSES .LT. 1 )THEN\n XMSG = \"ISAM ERROR: TAGCLASSES in control file incorrectly defined. \"\n CALL M3EXIT('GET_NSPC_SA', 0, 0, XMSG, XSTAT2 )\n END IF\n \n DO J = 1, NCLASSES\n K = INDEX1( CLASS_NAMES( J ), NUMB_CLASSES, DEFINED_CLASSES )\n IF( K .LT. 1 )THEN\n XMSG = \"ISAM ERROR: unknown tagclass: \" // TRIM( CLASS_NAMES( J ) )\n WRITE(LOGDEV,'(A)')TRIM(XMSG )\n EFLAG = .TRUE. \n ELSE\n CLASSES_FOUND = CLASSES_FOUND + 1 \n END IF \n END DO\n \n IF( EFLAG .OR. CLASSES_FOUND .LT. 1 )THEN\n XMSG = 'ISAM ERROR: problem defining tagclasses'\n WRITE(LOGDEV,'(A)')TRIM(XMSG )\n XMSG = 'Permitted TAGCLASSES listed below:'\n WRITE(LOGDEV,'(A)')TRIM(XMSG )\n DO J = 1, NUMB_CLASSES\n WRITE(LOGDEV,'(2X,A)')TRIM( DEFINED_CLASSES( J ) )\n END DO\n XMSG = 'Above fatal error(s) in setting up ISAM'\n CALL M3EXIT('GET_NSPC_SA', 0, 0, XMSG, XSTAT2 )\n END IF \n\n ! Initialize Control Variables\n L_VOC = .FALSE. \n L_NO3 = .FALSE.\n L_NH4 = .FALSE.\n L_OZONE = .FALSE.\n L_SO4 = .FALSE.\n L_CL = .FALSE.\n\n\n ! Initalize Number of ISAM Species\n NSPC_SA = 0\n\n ! Activate All Species if Requested\n IF ( INDEX( TAGCLASSES,'ALL' ) .NE. 0 ) THEN\n ! Add All Particle Species\n L_ISAM_AERO = .TRUE. \n\n ! Add All Gas Species\n DO ISPEC = 1,NSPCSD\n IF ( INDEX1( CGRID_NAME(ISPEC), NSPC_SA, ISAM_SPEC(:,1) ) .EQ. 0\n & .AND. ( CGRID_MASK_GAS( ISPEC ) .OR. \n & CGRID_MASK_NR( ISPEC ) ) ) THEN\n NSPC_SA = NSPC_SA + 1\n ISAM_SPEC( NSPC_SA,: ) = CGRID_NAME( ISPEC )\n END IF\n END DO \n ENDIF\n \n ! Activate All Particulate Species if Requested\n IF ( INDEX( TAGCLASSES,'PM_TOT' ) .NE. 0 ) THEN\n L_ISAM_AERO = .TRUE.\n L_VOC = .TRUE.\n L_NO3 = .TRUE.\n L_NH4 = .TRUE.\n L_SO4 = .TRUE.\n L_CL = .TRUE.\n ENDIF\n \n ! Activate Particulate Ions if Requested\n IF ( INDEX( TAGCLASSES,'PM_IONS' ) .NE. 0 ) THEN\n FOUND_SPECIES = .FALSE.\n CALL ADD_ISAM_SPEC( 'ANA', FOUND_SPECIES, IMECH )\n CALL ADD_ISAM_SPEC( 'AMG', FOUND_SPECIES, IMECH )\n CALL ADD_ISAM_SPEC( 'AK', FOUND_SPECIES, IMECH )\n CALL ADD_ISAM_SPEC( 'ACA', FOUND_SPECIES, IMECH )\n CALL ADD_ISAM_SPEC( 'AFE', FOUND_SPECIES, IMECH )\n CALL ADD_ISAM_SPEC( 'AAL', FOUND_SPECIES, IMECH )\n CALL ADD_ISAM_SPEC( 'ASI', FOUND_SPECIES, IMECH )\n CALL ADD_ISAM_SPEC( 'ATI', FOUND_SPECIES, IMECH )\n CALL ADD_ISAM_SPEC( 'AMN', FOUND_SPECIES, IMECH )\n CALL ADD_ISAM_SPEC( 'AOTHR', FOUND_SPECIES, IMECH )\n \n ! Warn if all species are missing\n CALL ISAM_SPECIES_WARN( 'PM_IONS', FOUND_SPECIES, EFLAG )\n ENDIF\n \n ! Activate Particulate Chlorine if Requested\n IF ( INDEX( TAGCLASSES,'CHLORINE' ) .NE. 0 .OR. L_CL ) THEN\n FOUND_SPECIES = .FALSE.\n CALL ADD_ISAM_SPEC( 'ACL', FOUND_SPECIES, IMECH )\n CALL ADD_ISAM_SPEC( 'HCL', FOUND_SPECIES, IMECH )\n \n ! Warn if all species are missing\n CALL ISAM_SPECIES_WARN( 'CHLORINE', FOUND_SPECIES, EFLAG )\n ENDIF\n\n ! Activate Elemental Carbon if Requested\n IF ( INDEX( TAGCLASSES,'EC' ) .NE. 0 ) THEN\n FOUND_SPECIES = .FALSE.\n CALL ADD_ISAM_SPEC( 'AEC', FOUND_SPECIES, IMECH )\n \n ! Warn if all species are missing\n CALL ISAM_SPECIES_WARN( 'EC', FOUND_SPECIES, EFLAG )\n ENDIF\n \n ! Activate Non-Volatile Primary Organic Aerosol if Requested\n IF ( INDEX( TAGCLASSES,'NVPOA' ) .NE. 0 ) THEN\n FOUND_SPECIES = .FALSE.\n\n CALL ADD_ISAM_SPEC( 'APOC', FOUND_SPECIES, IMECH )\n CALL ADD_ISAM_SPEC( 'APNCOM', FOUND_SPECIES, IMECH )\n \n ! Warn if all species are missing\n CALL ISAM_SPECIES_WARN( 'NVPOA', FOUND_SPECIES, EFLAG )\n END IF\n \n ! Activate Organic Aerosol if Requested\n IF ( INDEX( TAGCLASSES,'OA_TOT' ) .NE. 0 ) THEN\n L_VOC = .TRUE.\n FOUND_SPECIES = .FALSE.\n\n DO IAERO = 1,N_AEROSPC\n IF ( AEROSPC( IAERO )%OM )\n & CALL ADD_ISAM_SPEC( AEROSPC(IAERO)%BULKNAME, \n & FOUND_SPECIES, IMECH )\n END DO\n \n ! Warn if all species are missing\n CALL ISAM_SPECIES_WARN( 'OA_TOT', FOUND_SPECIES, EFLAG )\n END IF\n\n ! Activate Particulate Sulfate if Requested\n IF ( INDEX( TAGCLASSES,'SULFATE' ) .NE. 0 .OR. L_SO4 ) THEN\n \n FOUND_SPECIES = .FALSE.\n \n CALL ADD_ISAM_SPEC( 'ASO4', FOUND_SPECIES, IMECH )\n CALL CHECK_MECH( 'SULFATE', IMECH, MECHNAME, EFLAG )\n DO ISPEC = 1,SIZE( ISAM_SPEC_SO4( IMECH )%LIST )\n CALL ADD_ISAM_SPEC( ISAM_SPEC_SO4(IMECH)%LIST(ISPEC), \n & FOUND_SPECIES, IMECH )\n END DO\n \n ! Warn if all species are missing\n CALL ISAM_SPECIES_WARN( 'SULFATE', FOUND_SPECIES, EFLAG )\n ENDIF\n\n ! Activate Particulate Ammonium if Requested\n IF ( INDEX( TAGCLASSES,'AMMONIUM' ) .NE. 0 .OR. L_NH4 ) THEN\n FOUND_SPECIES = .FALSE.\n CALL ADD_ISAM_SPEC( 'ANH4', FOUND_SPECIES, IMECH )\n CALL ADD_ISAM_SPEC( 'NH3', FOUND_SPECIES, IMECH )\n \n ! Warn if all species are missing\n CALL ISAM_SPECIES_WARN( 'AMMONIUM', FOUND_SPECIES, EFLAG )\n ENDIF\n \n ! Add Carbon Monoxide if Requested \n IF ( INDEX( TAGCLASSES,'CO' ) .NE. 0 ) THEN\n FOUND_SPECIES = .FALSE.\n CALL ADD_ISAM_SPEC( 'CO', FOUND_SPECIES, IMECH )\n ! Warn if all species are missing\n CALL ISAM_SPECIES_WARN( 'CO', FOUND_SPECIES, EFLAG )\n ENDIF\n \n\n ! Add HAP Gases\n IF ( INDEX( TAGCLASSES,'HAP_GAS' ) .NE. 0 .OR. \n & INDEX( TAGCLASSES,'HAP_TOT' ) .NE. 0 ) THEN\n ! set ozone tracking to true for accurate tracking secondary production of HCHO and CH3CHO\n L_OZONE = .TRUE.\n FOUND_SPECIES = .FALSE.\n \n CALL CHECK_MECH( 'GASEOUS HAPS', IMECH, MECHNAME, EFLAG )\n\n ! Add each VOC Species according to fields ISAM_SPEC_GASHAPS arrays\n DO ISPEC = 1,SIZE( ISAM_SPEC_HAPGAS( IMECH )%LIST )\n CALL ADD_ISAM_SPEC( ISAM_SPEC_HAPGAS(IMECH)%LIST(ISPEC), \n & FOUND_SPECIES, IMECH )\n END DO \n\n ! Warn if all species are missing\n CALL ISAM_SPECIES_WARN( 'GASEOUS HAPS', FOUND_SPECIES, EFLAG )\n ENDIF\n \n\n ! Add Ozone if Requested\n IF ( INDEX( TAGCLASSES,'OZONE' ) .NE. 0 .OR. L_OZONE ) THEN\n\n L_OZONE = .TRUE.\n L_NO3 = .TRUE.\n L_VOC = .TRUE.\n FOUND_SPECIES = .FALSE.\n \n CALL CHECK_MECH( 'OZONE', IMECH, MECHNAME, EFLAG )\n \n ! Add Ozone-Relevant Species\n DO ISPEC = 1,SIZE( ISAM_SPEC_OZONE( IMECH )%LIST )\n CALL ADD_ISAM_SPEC( ISAM_SPEC_OZONE(IMECH)%LIST(ISPEC), \n & FOUND_SPECIES, IMECH )\n END DO\n\n ! Warn if all species are missing\n CALL ISAM_SPECIES_WARN( 'OZONE', FOUND_SPECIES, EFLAG )\n END IF \n\n ! Add Nitrate Species\n IF ( INDEX( TAGCLASSES,'NITRATE' ) .NE. 0 .OR. L_NO3 ) THEN \n L_NO3 = .TRUE. \n FOUND_SPECIES = .FALSE.\n\n ! Check that the chemical mechanism name is valid\n CALL CHECK_MECH( 'NITRATE', IMECH, MECHNAME, EFLAG )\n\n ! Add Aerosol Species\n CALL ADD_ISAM_SPEC( 'ANO3', FOUND_SPECIES, IMECH )\n CALL ADD_ISAM_SPEC( 'AMTNO3', FOUND_SPECIES, IMECH )\n CALL ADD_ISAM_SPEC( 'AISOPNN', FOUND_SPECIES, IMECH )\n\n ! Add Nitrate-Relevant Gas Species\n DO ISPEC = 1,SIZE( ISAM_SPEC_NO3( IMECH )%LIST )\n CALL ADD_ISAM_SPEC( ISAM_SPEC_NO3(IMECH)%LIST(ISPEC), \n & FOUND_SPECIES, IMECH )\n END DO \n\n ! Warn if all species are missing\n CALL ISAM_SPECIES_WARN( 'NITRATE', FOUND_SPECIES, EFLAG )\n ENDIF\n\n\n ! Add VOC Species for VOC Tag-Class\n IF ( INDEX( TAGCLASSES,'VOC' ) .NE. 0 .OR. L_VOC ) THEN\n CALL CHECK_MECH( 'VOC', IMECH, MECHNAME, EFLAG )\n\n ! Add each VOC Species according to fields ISAM_SPEC_VOC arrays\n DO ISPEC = 1,SIZE( ISAM_SPEC_VOC( IMECH )%LIST )\n CALL ADD_ISAM_SPEC( ISAM_SPEC_VOC(IMECH)%LIST(ISPEC), \n & FOUND_SPECIES, IMECH )\n END DO \n \n ! Warn if all species are missing\n CALL ISAM_SPECIES_WARN( 'VOC', FOUND_SPECIES, EFLAG )\n END IF\n \n\n ! Add HAP Aerosols\n IF ( INDEX( TAGCLASSES,'HAP_AERO') .NE. 0 .OR. \n & INDEX( TAGCLASSES,'HAP_TOT' ) .NE. 0 ) THEN\n\n FOUND_SPECIES = .FALSE.\n DO I = 1,SIZE( ISAM_SPEC_HAPAERO%LIST )\n CALL ADD_ISAM_SPEC( ISAM_SPEC_HAPAERO%LIST(I), \n & FOUND_SPECIES, IMECH )\n END DO\n\n ! Warn if all species are missing\n CALL ISAM_SPECIES_WARN( 'HAP_AERO', FOUND_SPECIES, EFLAG )\n END IF\n \n\n ! Activate BaP tracking if Requested\n IF ( INDEX( TAGCLASSES,'BENAPYRENE' ) .NE. 0 .OR. \n & INDEX( TAGCLASSES,'HAP_TOT' ) .NE. 0 ) THEN\n \n FOUND_SPECIES = .FALSE.\n\n ! Find aerosol phase and add if found\n CALL ADD_ISAM_SPEC( 'ABENAPY', FOUND_SPECIES, IMECH )\n\n ! Add Vapor-Phase Benzo[a]Pyrene\n CALL ADD_ISAM_SPEC( 'BENAPY', FOUND_SPECIES, IMECH )\n \n ! Warn if all species are missing\n CALL ISAM_SPECIES_WARN( 'BENAPYRENE', FOUND_SPECIES, EFLAG )\n END IF\n\n\n ! Activate TEQ PAHs tracking if Requested\n IF ( INDEX( TAGCLASSES,'PAH_TEQ' ) .NE. 0 .OR. \n & INDEX( TAGCLASSES,'HAP_TOT' ) .NE. 0 ) THEN\n \n FOUND_SPECIES = .FALSE.\n\n ! Scan for NonReactive PAH tracers\n DO I = 1,SIZE( ISAM_SPEC_PAHTEQ%LIST )\n CALL ADD_ISAM_SPEC( ISAM_SPEC_PAHTEQ%LIST(I), \n & FOUND_SPECIES, IMECH )\n END DO\n\n ! Warn if all species are missing\n CALL ISAM_SPECIES_WARN( 'PAH TEQ', FOUND_SPECIES, EFLAG )\n END IF\n \n ! Activate Classic Urban Air Toxics tracking if Requested\n IF ( INDEX( TAGCLASSES,'URBAN_TOXICS' ) .NE. 0 .OR. \n & INDEX( TAGCLASSES,'HAP_TOT' ) .NE. 0 ) THEN\n \n FOUND_SPECIES = .FALSE.\n\n ! Scan for NonReactive PAH tracers\n DO I = 1,SIZE( ISAM_SPEC_TOXICS%LIST )\n CALL ADD_ISAM_SPEC( ISAM_SPEC_TOXICS%LIST(I), \n & FOUND_SPECIES, IMECH )\n END DO\n\n ! Warn if all species are missing\n CALL ISAM_SPECIES_WARN( 'URBAN AIR TOXICS', FOUND_SPECIES, EFLAG )\n END IF\n\n\n ! Activate Mercury Toxics\n IF ( INDEX( TAGCLASSES,'MERCURY' ) .NE. 0 .OR. \n & INDEX( TAGCLASSES,'HAP_TOT' ) .NE. 0 ) THEN\n \n FOUND_SPECIES = .FALSE.\n\n ! Find aerosol phase and add if found\n CALL ADD_ISAM_SPEC( 'APHG', FOUND_SPECIES, IMECH )\n\n ! Add gas-phase mercury species\n DO ISPEC = 1,(SIZE( ISAM_SPEC_MERCURY%LIST ) ) \n CALL ADD_ISAM_SPEC( ISAM_SPEC_MERCURY%LIST(ISPEC), FOUND_SPECIES, IMECH )\n END DO \n\n ! Warn if all species are missing\n CALL ISAM_SPECIES_WARN( 'MERCURY', FOUND_SPECIES, EFLAG )\n END IF\n\n\n ! Add Requested Aerosol Species as defined in L_ISAM_AERO\n ! Part of this procedure involves distributing the aerosol bulknames \n ! associated with L_ISAM_AERO into mode-dependent names needed\n ! for ISAM_SPEC. This section will also associate each ISAM\n ! aerosol species with its volatility type and gas-phase\n ! counterparts and precursors, if applicable.\n DO IAERO = 1,N_AEROSPC\n IF ( L_ISAM_AERO( IAERO ) ) THEN\n DO IMODE = 1,N_MODE\n ! If the aerosol exists in a particular mode, then add\n ! its name, the name of its counterpart vapor, any\n ! reaction counters and the type of partitioning (i.e.\n ! reversible, irreversible, or nonvolatile)\n IF ( .NOT.AERO_MISSING( IAERO,IMODE ) ) THEN\n MAP_ISAMtoAERO( NSPC_SA ) = IAERO\n\n !Add aerosol name\n NSPC_SA = NSPC_SA + 1\n ISAM_SPEC( NSPC_SA,: ) = AEROSPC( IAERO )%NAME( IMODE )\n MAP_AEROtoSA( IAERO,IMODE ) = NSPC_SA\n\n !Populate Chemistry Bias Arrays if Applicable\n IF ( IMECH .GT. 0 ) THEN\n ISPEC = INDEX1( AEROSPC(IAERO)%BULKNAME, N_VOC_BIAS, \n & ISAM_BIAS_VOC(IMECH)%LIST )\n IF ( ISPEC .GT. 0 ) ISAM_SPECIES_BIAS( 3:4,NSPC_SA ) = .TRUE.\n ISPEC = INDEX1( AEROSPC(IAERO)%BULKNAME, N_NOY_BIAS, \n & ISAM_BIAS_NOY(IMECH)%LIST )\n IF ( ISPEC .GT. 0 ) ISAM_SPECIES_BIAS( 2:3,NSPC_SA ) = .TRUE.\n END IF\n\n IF ( AEROSPC( IAERO )%VOLTYPE .NE. 'NVL' ) THEN \n NVL_RESET = 0\n\n ! Add condensable vapor species\n IF ( AEROSPC(IAERO)%GASNAME .NE. '' ) THEN\n IF ( INDEX1( AEROSPC(IAERO)%GASNAME, \n & NSPCSD, CGRID_NAME ) .GT. 0 ) THEN\n IF ( INDEX1( AEROSPC(IAERO)%GASNAME, \n & NSPC_SA, ISAM_SPEC(:,1) ) .EQ. 0 ) THEN\n NSPC_SA = NSPC_SA + 1\n ISAM_SPEC( NSPC_SA,:) = AEROSPC( IAERO )%GASNAME\n MAP_AEROGAStoSA( IAERO ) = NSPC_SA\n ELSE \n MAP_AEROGAStoSA( IAERO ) = \n & INDEX1( AEROSPC(IAERO)%GASNAME, NSPC_SA, ISAM_SPEC(:,1) )\n END IF\n ELSE\n NVL_RESET = NVL_RESET + 1\n END IF\n END IF\n ! Add reaction counter species\n IF ( AEROSPC(IAERO)%CTRNAME .NE. '' ) THEN\n IF ( INDEX1( AEROSPC(IAERO)%CTRNAME, \n & NSPCSD, CGRID_NAME ) .GT. 0 ) THEN\n IF ( INDEX1( AEROSPC(IAERO)%CTRNAME, \n & NSPC_SA, ISAM_SPEC(:,1) ) .EQ. 0 ) THEN\n NSPC_SA = NSPC_SA + 1\n ISAM_SPEC( NSPC_SA,:) = AEROSPC( IAERO )%CTRNAME\n MAP_AEROCTRtoSA( IAERO ) = NSPC_SA\n ELSE\n MAP_AEROCTRtoSA( IAERO ) =\n & INDEX1( AEROSPC(IAERO)%CTRNAME, NSPC_SA, ISAM_SPEC(:,1) )\n\n END IF\n ELSE\n NVL_RESET = NVL_RESET + 1\n END IF\n END IF\n\n ! If neither the condensable vapor nor the\n ! reaction counter are present in the gas species\n ! list, then reset the aerosol species to\n ! nonvolatile and print a note to the log\n IF ( NVL_RESET .EQ. 2 ) THEN\n AEROSPC( IAERO )%VOLTYPE = 'NVL'\n GASNAME = AEROSPC(IAERO)%GASNAME\n CTRNAME = AEROSPC(IAERO)%CTRNAME\n IF ( GASNAME .EQ. '' ) GASNAME = 'NONE'\n IF ( CTRNAME .EQ. '' ) CTRNAME = 'NONE'\n\n XMSG = 'Attention: The ISAM aerosol species ' //\n & TRIM(AEROSPC( IAERO )%NAME( IMODE )) //\n & ' has been defined in AERO_DATA with condensable ' //\n & 'vapor species ' // TRIM(GASNAME) // ' and/or '//\n & 'reaction counter species ' // TRIM(CTRNAME) //\n & ' but neither of these are activated as ISAM ' //\n & 'species (e.g. in the ISAM control file. The aerosol '//\n & 'species will be assumed nonvolatile for ISAM.'\n CALL LOG_MESSAGE( LOGDEV, XMSG )\n END IF\n END IF\n\n END IF\n END DO\n END IF\n END DO\n \n ! Resize ISAM_SPEC to NSPC_SA\n ISAM_SPEC = ISAM_SPEC( 1:NSPC_SA,: )\n ISAM_SPECIES_BIAS = ISAM_SPECIES_BIAS( :,1:NSPC_SA )\n\n ! Exit CMAQ if There has been a fatal ISAM Error\n IF ( EFLAG ) THEN\n CALL M3EXIT( 'GET_NSPC_SA', 0, 0, 'Above Fatal ISAM ERROR(s) Encountered', XSTAT2 )\n END IF \n\n END SUBROUTINE GET_NSPC_SA\n\n! --------------------------------------------------------------------------------\n SUBROUTINE PARSE_STRING ( ENV_VAL, NVARS, VAL_LIST, LOGDEV )\n\n! takes a string of items delimited by white space,\n! commas or semi-colons) and parse out the items into variables. Two data\n! types: character strings and integers (still represented as strings in\n! the env var vaules).\n USE UTILIO_DEFN \n \n IMPLICIT NONE\n\n CHARACTER( * ), INTENT ( IN ) :: ENV_VAL\n INTEGER, INTENT ( OUT ) :: NVARS\n CHARACTER( * ), INTENT ( OUT ) :: VAL_LIST( : )\n INTEGER, INTENT ( IN ), OPTIONAL :: LOGDEV\n\n INTEGER :: MAX_LEN\n INTEGER :: LEN_EVAL\n CHARACTER( 16 ) :: PNAME = 'PARSE_STRING'\n CHARACTER( 1 ) :: CHR\n CHARACTER( 96 ) :: XMSG\n\n INTEGER :: JP( MAX_STRING*SIZE( VAL_LIST ) )\n INTEGER :: KP( MAX_STRING*SIZE( VAL_LIST ) )\n INTEGER :: STATUS\n INTEGER :: IP, V\n\n INTEGER :: LOC_LOGDEV\n \n IF (PRESENT(LOGDEV)) THEN\n LOC_LOGDEV = LOGDEV\n ELSE\n LOC_LOGDEV = 6\n END IF\n\n MAX_LEN = MAX_STRING * ( SIZE( VAL_LIST ) + 1 ) ! extra character allows deliminator\n\nC Parse:\n\n NVARS = 0\n\nC do not count until 1st char in string\n \n IP = 0\n KP = 1\n JP = 1\n LEN_EVAL = LEN_TRIM( ENV_VAL ) \n IF ( LEN_EVAL .GT. MAX_LEN ) THEN\n XMSG = TRIM( PNAME ) // ': The Environment variable, '\n & // TRIM( ENV_VAL ) // ', has too long, greater than ' \n WRITE(LOGDEV,'(A,I8)')TRIM( XMSG ), MAX_LEN\n XMSG = 'Above fatal error encountered '\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT2 ) \n END IF\n101 LOOP_101: DO ! read list\n IP = IP + 1\n IF ( IP .GT. LEN_EVAL ) EXIT LOOP_101\n CHR = ENV_VAL( IP:IP )\n IF ( CHR .EQ. ' ' .OR. ICHAR ( CHR ) .EQ. 09 ) CYCLE LOOP_101\n IF( NVARS .GT. SIZE( VAL_LIST ) )THEN\n XMSG = TRIM( PNAME ) // ':ERROR: Number of values in List, ' \n & // TRIM( ENV_VAL ) \n & // ', greater than the size of its storage array, '\n WRITE(LOGDEV,'(A,I4)')TRIM( XMSG ), SIZE( VAL_LIST )\n XMSG = 'Above fatal error encountered '\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT2 ) \n END IF\n NVARS = NVARS + 1\n JP( NVARS ) = IP ! 1st char\n IF( IP .EQ. LEN_EVAL )THEN ! word one character long \n KP( NVARS ) = IP\n V = 1\n EXIT LOOP_101\n END IF \n201 LOOP_201: DO ! read word\n IP = IP + 1\n CHR = ENV_VAL( IP:IP )\n IF ( CHR .NE. ' ' .AND.\n & CHR .NE. ',' .AND.\n & CHR .NE. ';' .OR.\n & ICHAR ( CHR ) .EQ. 09 ) THEN ! 09 = horizontal tab\n CYCLE LOOP_201\n ELSE ! last char in word\n KP( NVARS ) = IP - 1 \n V = JP( NVARS ) - IP\n IF( V .GT. MAX_STRING )THEN\n XMSG = 'The word, ' // ENV_VAL( JP(NVARS):KP(NVARS) ) \n & // ', in list, ' // TRIM( ENV_VAL )\n & // ', is too long, '\n WRITE(LOGDEV,'(A,1X,I2,A,I2)')TRIM( XMSG ), V, ' max allowed ',\n & MAX_STRING\n XMSG = 'Above fatal error encountered '\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT2 ) \n END IF\n EXIT LOOP_201\n END IF \n IF ( IP .GE. LEN_EVAL ) EXIT LOOP_101\n END DO LOOP_201\n END DO LOOP_101\n \n IF( NVARS .GT. SIZE( VAL_LIST ) )THEN\n XMSG = TRIM( PNAME ) // ':ERROR: Number of values in List, ' \n & // TRIM( ENV_VAL ) // ', greater than '\n WRITE(LOGDEV,'(A,I4)')TRIM( XMSG ), SIZE( VAL_LIST )\n XMSG = 'Above fatal error encountered '\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT2 ) \n END IF\n DO V = 1, NVARS\n VAL_LIST( V ) = ENV_VAL( JP( V ):KP( V ) )\n END DO\n\n RETURN\n \n END SUBROUTINE PARSE_STRING\n\nc===============================================================\n\n SUBROUTINE GET_MAP_SAtoCGR ()\n\nC20140428 Map CGRID species index to ISAM tracer species index\nC Called by driver.F\nC\n\n USE CGRID_SPCS \n USE RXNS_DATA, ONLY : MECHNAME, NUMB_MECH_SPC, CHEMISTRY_SPC \n! USE DEGRADE_PARAMETERS\n USE UTILIO_DEFN \n\n IMPLICIT NONE\n \n INTEGER J_SPC, N, ITAG, I2, ISUM\n INTEGER N_OZN ! index of ozone in gc_spc list\n INTEGER IOST\n\n CHARACTER( 16 ), ALLOCATABLE, SAVE :: CMAQ_ADV_NAMES( : ) \n \n INTEGER FRST, LAST, CMAQ_ADV\n\n INTEGER I_SPC, K_SPC, NLIST\n \n CHARACTER( 132 ) :: XMSG\n INTEGER ALLOCSTAT\n\n LOGICAL FOUND\n LOGICAL TRANS_WARN\n LOGICAL EFLAG\nc----------------------------------------------------------\n \n\n ! Initialize number of tags * species \n N_SPCTAG = NSPC_SA * NTAG_SA\n \n ! Allocate vectors and arrays for ISAM species names and property\n ! fields\n ALLOCATE ( MAP_SAtoCGR( NSPC_SA ), STAT = ALLOCSTAT )\n CALL CHECKMEM( ALLOCSTAT, 'MAP_SAtoCGR', 'GET_MAP_SAtoCGR' )\n MAP_SAtoCGR = -1\n ALLOCATE ( IS_SPC_AEROSOL( NSPC_SA,NTAG_SA ), STAT = ALLOCSTAT )\n CALL CHECKMEM( ALLOCSTAT, 'IS_SPC_AEROSOL', 'IS_SPC_AEROSOL' )\n IS_SPC_AEROSOL = .FALSE.\n ALLOCATE ( TRANSPORT_SPC( N_SPCTAG ), STAT = ALLOCSTAT )\n CALL CHECKMEM( ALLOCSTAT, 'TRANSPORT_SPC', 'TRANSPORT_SPC' )\n TRANSPORT_SPC = .TRUE.\n\n ! Determine which ISAM species are aerosols and are transported\n ! set species names\n NSPC_TRANSPORT = 0\n ISUM = 0\n DO ITAG = 1, NTAG_SA\n DO J_SPC = 1, NSPC_SA\n ISUM = ISUM + 1\n DO N = 1, N_AE_SPC\n IF( TRIM( ISAM_SPEC( J_SPC,ITAG ) ) .EQ. TRIM( AE_SPC( N ) ))THEN\n IS_SPC_AEROSOL( J_SPC,ITAG ) = .TRUE.\n IF ( ITAG .LT. 2 ) NSPC_SA_AE = NSPC_SA_AE + 1\n END IF\n END DO\n DO N = 1, N_AE_SPC\n IF( TRIM( ISAM_SPEC( J_SPC,ITAG ) ) .EQ. TRIM( AE_SPC( N ) ) )THEN\n IS_SPC_AEROSOL( J_SPC,ITAG ) = .TRUE.\n END IF\n END DO\n FOUND = .FALSE. \n DO N = 1, N_GC_TRNS\n IF( ISAM_SPEC( J_SPC,ITAG ) .EQ. GC_TRNS( N ) )FOUND = .TRUE.\n END DO\n DO N = 1, N_AE_TRNS\n IF( ISAM_SPEC( J_SPC,ITAG ) .EQ. AE_TRNS( N ) )FOUND = .TRUE.\n END DO\n DO N = 1, N_NR_TRNS\n IF( ISAM_SPEC( J_SPC,ITAG ) .EQ. NR_TRNS( N ) )FOUND = .TRUE.\n END DO\n DO N = 1, N_TR_ADV\n IF( ISAM_SPEC( J_SPC,ITAG ) .EQ. TR_ADV( N ) )FOUND = .TRUE.\n END DO\n TRANSPORT_SPC( ISUM ) = FOUND\n IF( FOUND )NSPC_TRANSPORT = NSPC_TRANSPORT + 1\n END DO \n END DO\n\n ALLOCATE ( ISAM_TO_AERO( NSPC_SA_AE ), STAT = ALLOCSTAT )\n CALL CHECKMEM( ALLOCSTAT, 'ISAM_TO_AERO', 'GET_SPC_INDEX' )\n ISAM_TO_AERO = -1\n ALLOCATE ( SA_AERO_INDX( NSPC_SA_AE ), STAT = ALLOCSTAT )\n CALL CHECKMEM( ALLOCSTAT, 'SA_AERO_INDX', 'GET_SPC_INDEX' )\n SA_AERO_INDX = -1\n\n ITAG = 1\n N = 0\n DO J_SPC = 1, NSPC_SA\n IF( .NOT. IS_SPC_AEROSOL( J_SPC,ITAG ) )CYCLE\n N = N + 1\n DO I_SPC = 1, N_AE_SPC\n IF( TRIM( ISAM_SPEC( J_SPC,ITAG ) ) .NE. TRIM( AE_SPC( I_SPC ) ) ) CYCLE\n ISAM_TO_AERO( N ) = I_SPC ! + AE_STRT - 1\n SA_AERO_INDX( N ) = J_SPC\n WRITE(LOGDEV,'(A,I4,1X,I5,1X,A16,I3,1X,A16)')\n & 'ISAM SPECIES, AEROSOL SPECIES = ',N,SA_AERO_INDX( N ),ISAM_SPEC( J_SPC,ITAG ),\n & ISAM_TO_AERO( N ),AE_SPC( I_SPC )\n END DO\n END DO\n\n\nC...Assign species index with CMAQ species mappings\n ! Assign species index with CMAQ species mappings\n ALLOCATE( MAP_CGRtoSA( NSPCSD ) )\n MAP_CGRtoSA = 0\n\n DO N = 1, NSPCSD\n DO J_SPC = 1, NSPC_SA\n IF ( ISAM_SPEC( J_SPC,ICONTAG ) .EQ. CGRID_NAME( N ) ) THEN \n MAP_SAtoCGR( J_SPC ) = N\n MAP_CGRtoSA( N ) = J_SPC\n END IF ! ISAM_SPEC and gc_spc match\n END DO\n END DO ! number of tagging species\n\n EFLAG = .FALSE.\n DO J_SPC = 1, NSPC_SA\n IF ( MAP_SAtoCGR( J_SPC ) .LT. 1 ) THEN\n write(logdev,'(A,A,A)')'Tracked species '\n & // TRIM( ISAM_SPEC( J_SPC,ICONTAG ) ) //\n & ' not found among model species '\n EFLAG = .TRUE.\n END IF\n END DO \n IF ( EFLAG ) THEN\n CALL M3EXIT( 'GET_MAP_SAtoCGR', 0, 0, 'Above Fatal Error Encountered', XSTAT2 )\n END IF \n\nC...Map SA species for Advection\n ALLOCATE( MAP_ADVtoSA ( N_SPCTAG ) )\n \n CMAQ_ADV = N_GC_TRNS + N_AE_TRNS + N_NR_TRNS + N_TR_ADV\n ALLOCATE( CMAQ_ADV_NAMES( CMAQ_ADV ) )\n\n FRST = 0\n LAST = 0\n IF ( N_GC_TRNS .NE. 0 ) THEN \n FRST = 1\n LAST = N_GC_TRNS\n CMAQ_ADV_NAMES( FRST:LAST ) = GC_TRNS(1:N_GC_TRNS)\n ENDIF\n\n IF ( N_AE_TRNS .NE. 0 ) THEN\n FRST = LAST + 1\n LAST = LAST + N_AE_TRNS\n CMAQ_ADV_NAMES( FRST:LAST ) = AE_TRNS(1:N_AE_TRNS)\n END IF\n\n IF ( N_NR_TRNS .NE. 0 ) THEN\n FRST = LAST + 1\n LAST = LAST + N_NR_TRNS\n CMAQ_ADV_NAMES( FRST:LAST ) = NR_TRNS(1:N_NR_TRNS)\n END IF\n\n IF ( N_TR_ADV .NE. 0 ) THEN\n FRST = LAST + 1\n LAST = LAST + N_TR_ADV\n CMAQ_ADV_NAMES( FRST:LAST ) = TR_ADV(1:N_TR_ADV)\n END IF\n\n MAP_ADVtoSA = -1\n N = 0\n TRANS_WARN = .FALSE.\n DO ITAG = 1, NTAG_SA\n DO J_SPC = 1, NSPC_SA\n N = N + 1\n MAP_ADVtoSA(N) = INDEX1( ISAM_SPEC(J_SPC,1), CMAQ_ADV, CMAQ_ADV_NAMES )\n IF( MAP_ADVtoSA(N) .LT. 1 .AND. ITAG .LT. 2 )THEN\n TRANS_WARN = .TRUE.\n XMSG = 'ISAM WARNING: Tagged Species, ' // TRIM( ISAM_SPEC(J_SPC,1) ) \n & // ' not transported. Modify species namelist(s) to include process.'\n WRITE(LOGDEV,'(A)')TRIM( XMSG )\n END IF\n END DO\n END DO\n \n IF ( TRANS_WARN ) THEN\n CALL M3WARN( 'GET_MAP_SAtoCGR', 0, 0, 'Species above are not transported.' )\n END IF\n\n95000 FORMAT(2(I3,1X),A,L4,1X,I4)\n\n\nC...Map SA species for DEPV\nC\nC... DO THIS LATER IF NEEDED FOR THE GENERAL CASE - RIGHT NOW ONLY DO AMMONIA\nc ALLOCATE( MAP_DEPVtoSA ( N_SPCTAG ) )\n\nc CMAQ_DEPV = N_GC_DEPV + N_AE_DEPV + N_NR_DEPV + N_TR_DEPV\nc ALLOCATE( CMAQ_DEPV_NAMES( CMAQ_DEPV ) )\n\nc FRST = 0\nc LAST = 0\nc IF ( N_GC_DEPV .NE. 0 ) THEN\nc FRST = 1\nc LAST = N_GC_DEPV\nc CMAQ_DEPV_NAMES( FRST:LAST ) = GC_DEPV(1:N_GC_DEPV)\nc ENDIF\n\nc IF ( N_AE_DEPV .NE. 0 ) THEN\nc FRST = LAST + 1\nc LAST = LAST + N_AE_DEPV\nc CMAQ_DEPV_NAMES( FRST:LAST ) = AE_DEPV(1:N_AE_DEPV)\nc END IF\n\nc IF ( N_NR_DEPV .NE. 0 ) THEN\nc FRST = LAST + 1\nc LAST = LAST + N_NR_DEPV\nc CMAQ_DEPV_NAMES( FRST:LAST ) = NR_DEPV(1:N_NR_DEPV)\nc END IF\n\nc IF ( N_TR_DEPV .NE. 0 ) THEN\nc FRST = LAST + 1\nc LAST = LAST + N_TR_DEPV\nc CMAQ_DEPV_NAMES( FRST:LAST ) = TR_DEPV(1:N_TR_DEPV)\nc END IF\n\nc MAP_DEPVtoSA = -1\nc N = 0\n! DO ITAG = 1, NTAG_SA\nc DO J_SPC = 1, NSPC_SA\nc N = N + 1\nc MAP_DEPVtoSA(N) = INDEX1( ISAM_SPEC(J_SPC,1), CMAQ_DEPV, CMAQ_DEPV_NAMES )\nc IF( MAP_DEPVtoSA(N) .LT. 1 )THEN\nc XMSG = 'ISAM WARNING: Tagged Species, ' // TRIM( ISAM_SPEC(J_SPC,1) )\nc & // ' not in DEPV list.'\nc CALL M3EXIT ( 'MAP_DEPVtoSA', 0, 0, XMSG, XSTAT1 )\nc END IF\nc END DO\n! END DO\n\n END SUBROUTINE GET_MAP_SAtoCGR\n\n !------------------------------------------------------------------------------------------- \n SUBROUTINE CHECK_MECH( TAG_NAME, IMECH, MECHNAME, EFLAG )\n !------------------------------------------------------------------------------------------- \n ! This subroutine checks whether or not the the chemical mechanism\n ! that the user has supplied is active for ISAM and reports an\n ! error if not.\n !------------------------------------------------------------------------------------------- \n USE RUNTIME_VARS\n \n IMPLICIT NONE\n\n INTEGER :: IMECH\n CHARACTER(*) :: TAG_NAME\n CHARACTER(32) :: MECHNAME\n LOGICAL :: EFLAG\n CHARACTER(400):: XMSG\n\n IF ( IMECH .EQ. 0 ) THEN\n XMSG = \"ISAM ERROR: The \" // TRIM(TAG_NAME) // \" tag group has been selected but the species \"\n & // \"for the \" // TRIM( MECHNAME ) // \" mechanism are not defined. Modify GET_NSPC_SA \"\n & // \"and GET_SPC_INDEX subroutines to include MECHNAME cases for it.\"\n CALL LOG_MESSAGE( LOGDEV, XMSG ) \n EFLAG = .TRUE.\n END IF\n END SUBROUTINE CHECK_MECH\n \n !------------------------------------------------------------------------------------------- \n SUBROUTINE ADD_ISAM_SPEC( CHEM_NAME, FOUND_SPECIES, IMECH )\n !------------------------------------------------------------------------------------------- \n ! This subroutine adds an aerosol or gas-phase species to the\n ! ISAM species array and sends back a TRUE value for\n ! FOUND_SPECIES if the input CHEM_NAME is a CMAQ modeled\n ! species.\n !------------------------------------------------------------------------------------------- \n USE CGRID_SPCS\n USE UTILIO_DEFN \n USE AERO_DATA, only : N_AEROSPC, AEROSPC\n \n IMPLICIT NONE\n\n CHARACTER(*) :: CHEM_NAME\n LOGICAL :: FOUND_SPECIES\n\n INTEGER ISPEC, IAERO, IMECH, J_SPC\n \n ! Find Species Index\n ISPEC = INDEX1( CHEM_NAME, NSPCSD, CGRID_NAME )\n IAERO = INDEX1( CHEM_NAME, N_AEROSPC, AEROSPC%BULKNAME )\n \n IF ( IAERO .GT. 0 ) THEN\n ! Species is an aerosol model species\n L_ISAM_AERO( IAERO ) = .TRUE.\n FOUND_SPECIES = .TRUE.\n\n ELSE IF ( ISPEC .GT. 0 ) THEN\n IF ( .NOT. CGRID_MASK_AERO( ISPEC ) ) THEN\n ! Species is a gas model species\n IF ( INDEX1( CHEM_NAME, NSPC_SA, ISAM_SPEC(:,1) ) .EQ. 0 ) THEN\n NSPC_SA = NSPC_SA + 1\n ISAM_SPEC( NSPC_SA,: ) = CHEM_NAME\n\n ! Populate Chemistry Bias Arrays, if Applicable\n IF ( IMECH .NE. 0 ) THEN\n J_SPC = INDEX1( CHEM_NAME, N_VOC_BIAS, ISAM_BIAS_VOC(IMECH)%LIST )\n IF ( J_SPC .GT. 0 ) ISAM_SPECIES_BIAS( 3:4,NSPC_SA ) = .TRUE.\n J_SPC = INDEX1( CHEM_NAME, N_NOY_BIAS, ISAM_BIAS_NOY(IMECH)%LIST )\n IF ( J_SPC .GT. 0 ) ISAM_SPECIES_BIAS( 2:3,NSPC_SA ) = .TRUE.\n END IF\n\n END IF \n FOUND_SPECIES = .TRUE.\n END IF\n\n END IF \n\n END SUBROUTINE ADD_ISAM_SPEC\n\n !------------------------------------------------------------------------------------------- \n SUBROUTINE ISAM_SPECIES_WARN( TAG_NAME, FOUND_SPECIES, EFLAG )\n !------------------------------------------------------------------------------------------- \n ! This subroutine prints a warning if no species in a tag class\n ! are found on CMAQ modeled species list.\n !------------------------------------------------------------------------------------------- \n USE RUNTIME_VARS\n \n IMPLICIT NONE\n\n CHARACTER(*) :: TAG_NAME\n LOGICAL :: FOUND_SPECIES\n LOGICAL :: EFLAG\n CHARACTER(400):: XMSG\n\n\n IF ( .NOT. FOUND_SPECIES ) THEN\n EFLAG = .TRUE.\n XMSG = \" ISAM ERROR: No member of \"//TRIM(TAG_NAME)//\" tag class found \"\n & // \"in species namelists but control file requests the class.\"\n CALL LOG_MESSAGE( LOGDEV, XMSG )\n END IF\n \n END SUBROUTINE ISAM_SPECIES_WARN\n \n\n\n END MODULE SA_DEFN\n" }, { "path": "CCTM/src/isam/SA_IRR_DEFN.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\n MODULE SA_IRR_DEFN\n\nC***********************************************************************\nC20140428 \nC \nC (1) Stores initial reaction rates in a C-R-L-nrxns array\nC (2) Contains subroutines SA_IRR_INIT\nC and ACCUMRR\nC\nC Aug 16, 2011: chemical integration time interval is in MINUTES\nC\nC***********************************************************************\n\n\n IMPLICIT NONE\n\n\n REAL, ALLOCATABLE :: RXINIT( :,:,:,: )\n REAL, ALLOCATABLE :: RKI_INIT( :,:,:,: )\n REAL, ALLOCATABLE :: YC_INIT( :,:,:,: )\n REAL, ALLOCATABLE :: PRDRATE( : )\n REAL, ALLOCATABLE :: RKMID ( : )\n\n!20140307 Integrated Rates\n\n\n INTEGER :: ISAM_CHEMISTRY_SPC ! number of ISAM species om photochemistry\n INTEGER, ALLOCATABLE :: ISAM_SPC_MAP( : ) ! index in ISAM species array\n INTEGER, ALLOCATABLE :: ISAM_TO_CHEM( : ) ! index is CHEMSITRY_SPC array\n LOGICAL, ALLOCATABLE :: CONVERT_ISAM( : ) ! whether to ISAM concentration for photochemsitry \n LOGICAL, ALLOCATABLE :: BIAS_CHEMISTRY_SPC( :,: ) ! whether to favor chemistry species when a reactant\n \n REAL :: CONMIN_TAG ! min tag concentration uploaded\n REAL( 8 ) :: NUMB_ISAM_CELLS = 0.0D0\n REAL( 8 ) :: DCONCMIN ! internal min concentration\n REAL( 8 ) :: DCONMIN_TAG ! internal min tag concentration\n REAL( 8 ) :: UNIFORM_DCONMIN_TAG ! min tag concentration evenly distributed\n\n REAL( 8 ), ALLOCATABLE :: UGM3_TO_PPM( : ) ! CGRID to CHEM Species conversion factor\n REAL, ALLOCATABLE :: PPM_TO_UGM3( : ) ! CHEM to CGRID Species conversion factor\n REAL( 8 ), ALLOCATABLE :: SOLD( :,: ) ! local source concentrations\n\n \n LOGICAL, ALLOCATABLE :: ISAM_SPECIES( : )\n LOGICAL :: ISAM_NOT_FOUND = .FALSE.\n\n TYPE SPECIES_BUDGET\n CHARACTER(16) :: SPECIES_NAME = ' '\n INTEGER :: NREACTIONS = 0\n INTEGER, ALLOCATABLE :: IREACTION( : )\n REAL(8), ALLOCATABLE :: COEFF_NET( : )\n INTEGER :: NRXNS_PROD = 0\n INTEGER, ALLOCATABLE :: IRXN_PROD( : )\n REAL(8), ALLOCATABLE :: COEFF_POS( : )\n INTEGER :: NRXNS_LOSS = 0\n INTEGER, ALLOCATABLE :: IRXN_LOSS( : )\n REAL(8), ALLOCATABLE :: COEFF_NEG( : )\n END TYPE SPECIES_BUDGET\n \n TYPE(SPECIES_BUDGET), ALLOCATABLE :: MECHANISM_BUDGET ( : )\n TYPE(SPECIES_BUDGET), ALLOCATABLE :: OX_RADICAL_BUDGET( : )\n TYPE(SPECIES_BUDGET), ALLOCATABLE :: ISAM_SPC_BUDGET ( : ) \n \n INTEGER :: NRXNS_PROD_H2O2 = 0 ! # reactions producing only H2O2\n INTEGER :: NRXNS_PROD_HNO3 = 0 ! # reactions producing only HNO3\n INTEGER :: NRXNS_PROD_H2O2_HNO3 = 0 ! # reactions producing H2O2 or HNO3\n INTEGER, ALLOCATABLE :: H2O2_HNO3_PROD_RXNS( : ) ! indices of H2O2 or HNO3 producing reactions\n\n REAL( 8 ), ALLOCATABLE :: H2O2_HNO3_YIELD( : ) ! H2O2 or HNO3 yield for a reaction subset\n \n INTEGER :: ISAM_LOG ! Unit number of output log\n INTEGER :: ISAM_JDATE = 0\n INTEGER :: ISAM_JTIME = 0\n INTEGER :: ISAM_NSTEP = 0\n#ifdef verbose_isam\n LOGICAL :: CHECK_ISAM = .TRUE.\n LOGICAL :: WRITE_BUDGET_REPORT = .TRUE.\n#else\n LOGICAL :: CHECK_ISAM = .FALSE.\n LOGICAL :: WRITE_BUDGET_REPORT = .FALSE.\n#endif \n LOGICAL :: WRITE_CELL = .FALSE.\n LOGICAL :: UPDATE_SOLD = .FALSE.\n LOGICAL :: UPDATE_PROBABILITIES = .FALSE.\n\n INTEGER, PARAMETER :: N_OX_RADICALS = 13\n CHARACTER( 16 ) :: OX_RADICALS( N_OX_RADICALS ) = \n & (/ 'O ', \n & 'O1D ', \n & 'ACO3 ', \n & 'MEO3 ', \n & 'C2O3 ', \n & 'O3P ', \n & 'NO ',\n & 'NO2 ', \n & 'NO3 ', \n & 'N2O5 ', \n & 'HO2 ',\n & 'MEO2 ',\n & 'MO2 ' /)\n \n LOGICAL, ALLOCATABLE :: IS_ISAM_OX_RADICAL( : )\n LOGICAL, ALLOCATABLE :: IS_CHEM_OX_RADICAL( : )\n LOGICAL, ALLOCATABLE :: IS_TAG_NONZERO( : )\n\n INTEGER :: OX_RADICAL_FOUND = 0 \n INTEGER :: OZONE_INDEX = 0 \n INTEGER, ALLOCATABLE :: OX_INDEX ( : )\n \n LOGICAL :: ISAM_WITH_OZONE = .FALSE.\n\n! specific species indices in chemical mechanism \n INTEGER :: H2O2_INDEX = 0 \n INTEGER :: HNO3_INDEX = 0 \n INTEGER :: O3_INDEX = 0 \n LOGICAL :: CHEMISTRY_WITH_O3 = .FALSE.\n\n REAL( 8 ), PARAMETER, PRIVATE :: ONE = 1.0D0\n REAL( 8 ), PARAMETER, PRIVATE :: ZERO = 0.0D0\n REAL( 8 ), PARAMETER, PRIVATE :: CUTOFF = 1.0D-23\n REAL( 8 ), PARAMETER, PRIVATE :: BULK_CUTOFF = ZERO\n \n CONTAINS\n SUBROUTINE SA_IRR_INIT\n\n USE HGRD_DEFN\n USE VGRD_DEFN\n USE UTILIO_DEFN\n USE RXNS_DATA\n USE SA_DEFN\nC Initialize arrays and maps that store reaction rates in each grid cell and that\nC relate ISAM species to chemistry species\nC\nC Called by chemistry driver\n\n IMPLICIT NONE\n\nC..Includes:\n INCLUDE SUBST_CONST ! CMAQ constants\n \n CHARACTER( 16 ), PARAMETER :: PNAME = 'SA_IRR_INIT' ! Program name\n\n INTEGER :: I, J, RXN, IP, IL \n INTEGER :: IOSTAT\n INTEGER :: C, L, R, S ! Loop indices\n INTEGER :: SPC ! array index\n INTEGER :: IOS\n\n\n CHARACTER( 132 ) :: MSG ! Message text\n! temporary arrays to set maps between isam to chemistry species\n INTEGER, ALLOCATABLE :: ISAM_SPC_IDX( : )\n INTEGER, ALLOCATABLE :: ISAM_2_CHEMI( : )\n LOGICAL, ALLOCATABLE :: NO_CHEMISTRY( : )\n\n CHARACTER(16), ALLOCATABLE :: FIND_IN_ISAM( : )\n\n! temporary variables to define MECHANISM_BUDGET\n\n INTEGER, ALLOCATABLE :: IREACTION( : )\n INTEGER, ALLOCATABLE :: IRXN_PROD( : )\n INTEGER, ALLOCATABLE :: IRXN_LOSS( : )\n REAL(8), ALLOCATABLE :: COEFF_NET( : )\n REAL(8), ALLOCATABLE :: COEFF_POS( : )\n REAL(8), ALLOCATABLE :: COEFF_NEG( : )\n REAL(8) :: COEFF\n\n TYPE(SPECIES_BUDGET) :: H2O2_BUDGET\n TYPE(SPECIES_BUDGET) :: HNO3_BUDGET\n \nC=======================================================\n\n ISAM_LOG = INIT3( )\n \n\n\n ALLOCATE( ISAM_2_CHEMI( NSPC_SA + 1 ) )\n ALLOCATE( ISAM_SPC_IDX( NSPC_SA + 1 ) )\n ALLOCATE( NO_CHEMISTRY( NSPC_SA + 1 ) )\n ALLOCATE( FIND_IN_ISAM( NSPC_SA + 1 ) )\n ALLOCATE( BIAS_CHEMISTRY_SPC( NBIAS, NUMB_MECH_SPC ) )\n BIAS_CHEMISTRY_SPC = .FALSE.\n \n ! Identify species index in ISAM array\n ISAM_SPC_IDX = 0\n ISAM_2_CHEMI = 0\n NO_CHEMISTRY = .TRUE.\n FIND_IN_ISAM = ' '\n\n SPC = 0\n \n DO S = 1, NSPC_SA\n FIND_IN_ISAM( S ) = ISAM_SPEC( S,OTHRTAG )\n ISAM_SPC_IDX( S ) = S\n END DO\n SPC = NSPC_SA\n! find tagged species in chemistry_spc array to set value of convert_isam\n ISAM_CHEMISTRY_SPC = 0\n DO S = 1, SPC\n R = INDEX1( TRIM(FIND_IN_ISAM( S )), NUMB_MECH_SPC, CHEMISTRY_SPC )\n IF ( R .LE. 0 ) THEN\n MSG = 'ISAM SPECIES: ' \n & // TRIM( FIND_IN_ISAM( S ) ) \n & // ' not found in CHEMISTRY_SPC array '\n CALL M3WARN( PNAME, 0, 0, MSG )\n CYCLE\n END IF\n ISAM_CHEMISTRY_SPC = ISAM_CHEMISTRY_SPC\n & + 1 \n ISAM_2_CHEMI( S ) = R\n BIAS_CHEMISTRY_SPC( :,R ) = ISAM_SPECIES_BIAS( :,S )\n NO_CHEMISTRY( S ) = .FALSE.\n END DO\n \n HNO3_INDEX = INDEX1( 'HNO3', NUMB_MECH_SPC, CHEMISTRY_SPC )\n H2O2_INDEX = INDEX1( 'H2O2', NUMB_MECH_SPC, CHEMISTRY_SPC )\n IF ( H2O2_INDEX .LT. 1 ) THEN\n H2O2_INDEX = INDEX1( 'HO2H', NUMB_MECH_SPC, CHEMISTRY_SPC ) \n END IF\n O3_INDEX = INDEX1( 'H2O2', NUMB_MECH_SPC, CHEMISTRY_SPC )\n IF ( O3_INDEX .GT. 0 ) CHEMISTRY_WITH_O3 = .TRUE.\n \n IF ( ISAM_CHEM_BIAS .EQ. 5 ) THEN\n IF ( H2O2_INDEX .LT. 1 .OR. HNO3_INDEX .LT. 1 ) THEN\n IF ( H2O2_INDEX .LT. 1 ) THEN\n WRITE(LOGDEV,'(A)')'ISAM_O3_WEIGHTS set to 5 but hydrogen peroxide not found gas chemistry.'\n END IF\n IF ( HNO3_INDEX .LT. 1 ) THEN\n WRITE(LOGDEV,'(A)')'ISAM_O3_WEIGHTS set to 5 but nitric acid not found gas chemistry.'\n END IF\n MSG = 'Above Error(s) not found using ISAM runtime option'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF \n IF ( O3_INDEX .LT. 1 ) THEN\n WRITE(LOGDEV,'(A)')'ISAM_O3_WEIGHTS set to 5 but gas chemistry does not have ozone.'\n WRITE(LOGDEV,'(A)')'ISAM_O3_WEIGHTS reset to 1.'\n ISAM_CHEM_BIAS = 1\n END IF\n END IF\n\n IF( ANY( .NOT. NO_CHEMISTRY ) )THEN\nC..Save pointer for isam species found in chemistry species\n ALLOCATE( ISAM_TO_CHEM( ISAM_CHEMISTRY_SPC ) )\n ALLOCATE( ISAM_SPC_MAP( ISAM_CHEMISTRY_SPC ) )\n WRITE(ISAM_LOG,'(/A)')'Below isam species participate in photochemistry'\n WRITE(ISAM_LOG,'(\"SPC ISAM_SPC SPC PHOTOCHEM_SPC \")')\n L = 0 \n DO S = 1, SPC\n IF ( .NOT. NO_CHEMISTRY( S ) ) THEN\n L = L + 1\n C = ISAM_SPC_IDX( S )\n R = ISAM_2_CHEMI( S )\n ISAM_SPC_MAP( L ) = ISAM_SPC_IDX( S )\n ISAM_TO_CHEM( L ) = ISAM_2_CHEMI( S )\n WRITE(ISAM_LOG,'(I3,1X,A16,1x,I3,1X,A16)') \n & C, FIND_IN_ISAM( S ), R, CHEMISTRY_SPC( R )\n END IF\n END DO\n IF( L .NE. ISAM_CHEMISTRY_SPC )THEN\n MSG = 'ERROR mapping isam to chemistry species: inconsistent number found'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n ELSE\n MSG = 'NO ISAM species participate in photochemistry '\n CALL M3WARN ( PNAME, 0, 0, MSG )\n END IF\n L = 0\n DO S = 1, SPC\n IF( NO_CHEMISTRY( S ) )THEN\n C = ISAM_SPC_IDX( S )\n IF( C .LE. 0 )CYCLE\n L = L + 1\n IF( L .LT. 2 )THEN\n WRITE(ISAM_LOG,'(/A)')'Below isam species DO NOT participate in photochemistry'\n WRITE(ISAM_LOG,'(\"SPC ISAM_SPC\")')\n END IF \n WRITE(ISAM_LOG,'(I3,1X,A16,1x,I3,A16)') C, FIND_IN_ISAM( S )\n END IF\n END DO\n\n DEALLOCATE( ISAM_2_CHEMI )\n DEALLOCATE( ISAM_SPC_IDX )\n DEALLOCATE( NO_CHEMISTRY )\n\nC...Allocate and set conversion factors for isam chemistry species\n ALLOCATE( CONVERT_ISAM( ISAM_CHEMISTRY_SPC ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating CONVERT_ISAM'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF \n \n ALLOCATE( UGM3_TO_PPM( ISAM_CHEMISTRY_SPC ),\n & PPM_TO_UGM3( ISAM_CHEMISTRY_SPC ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating UGM3_TO_PPM or PPM_TO_UGM3'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF \n\n ALLOCATE( IS_ISAM_OX_RADICAL( ISAM_CHEMISTRY_SPC ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating IS_ISAM_A_RADICAL'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF \n IS_ISAM_OX_RADICAL = .FALSE.\n\n ALLOCATE( IS_CHEM_OX_RADICAL( NUMB_MECH_SPC ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating IS_ISAM_A_RADICAL'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF \n IS_CHEM_OX_RADICAL = .FALSE.\n\n WRITE(ISAM_LOG,'(/A)')'Final Table of ISAM chemistry species'\n WRITE(ISAM_LOG,'(\"SPC ISAM_SPC SPC PHOTOCHEM_SPC Mol.Wei Convert Conc. Radical Spc\")')\n \n ALLOCATE( IS_TAG_NONZERO( NTAG_SA ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating IS_TAG_NONZERO'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF \n\n! ALLOCATE( FRAC_TOTAL( NTAG_SA ), STAT = IOS )\n! IF ( IOS .NE. 0 ) THEN\n! MSG = 'Error allocating FRAC_TOTAL'\n! CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n! END IF \n\n ALLOCATE( ISAM_SPECIES( NUMB_MECH_SPC ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating ISAM_SPECIES'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n ISAM_SPECIES = .FALSE. \n\n DO S = 1, ISAM_CHEMISTRY_SPC\n C = ISAM_SPC_MAP( S )\n R = ISAM_TO_CHEM( S )\n IF( FIND_IN_ISAM( C ) .EQ. 'O3' )THEN\n ISAM_WITH_OZONE = .TRUE.\n OZONE_INDEX = R\n WRITE(ISAM_LOG,'(A)')'ISAM Species include ozone'\n END IF \n DO L = 1, N_OX_RADICALS\n IF( FIND_IN_ISAM( C ) .EQ. OX_RADICALS( L ) )THEN\n IS_ISAM_OX_RADICAL( S ) = .TRUE.\n END IF \n IF( CHEMISTRY_SPC( R ) .EQ. OX_RADICALS( L ) )THEN\n IS_CHEM_OX_RADICAL( R ) = .TRUE.\n OX_RADICAL_FOUND = OX_RADICAL_FOUND + 1\n END IF \n END DO\n CONVERT_ISAM( S ) = CONVERT_CONC( R )\n ISAM_SPECIES( R ) = .TRUE.\n UGM3_TO_PPM ( S ) = REAL( 1.0E-3 * MWAIR / SPECIES_MOLWT( R ), 8 )\n PPM_TO_UGM3 ( S ) = 1.0E+3 / MWAIR * SPECIES_MOLWT( R )\n WRITE(ISAM_LOG,'(I3,1X,A16,1x,I3,1X,A16,2X,F7.2,3(1X,L14))') \n & C, FIND_IN_ISAM( C ), R, CHEMISTRY_SPC( R ), SPECIES_MOLWT( R ), \n & CONVERT_ISAM( S ), IS_ISAM_OX_RADICAL( S ),IS_CHEM_OX_RADICAL( R )\n END DO\n \n DEALLOCATE( FIND_IN_ISAM )\n\n ALLOCATE( OX_INDEX( OX_RADICAL_FOUND ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating SOLD'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF \n OX_INDEX = 0\n\n DCONMIN_TAG = 1.0D-40 \n DCONCMIN = 1.0D-30 \n CONMIN_TAG = 1.0E-30\n \n UNIFORM_DCONMIN_TAG = DCONMIN_TAG / REAL( NTAG_SA,8 ) \n\n ALLOCATE( SOLD( NTAG_SA, NUMB_MECH_SPC ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating SOLD'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF \n \n ALLOCATE( MECHANISM_BUDGET( NUMB_MECH_SPC ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating MECHANISM_BUDGET'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF \n\n ALLOCATE( IREACTION( NRXNS ),\n & IRXN_PROD( NRXNS ),\n & IRXN_LOSS( NRXNS ),\n & COEFF_POS( NRXNS ),\n & COEFF_NEG( NRXNS ),\n & COEFF_NET( NRXNS ), STAT = IOS ) \n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating IREACTION and COEFF_NET arrays'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF \n\n ISAM_WITH_OZONE = ( ISAM_WITH_OZONE .AND. OX_RADICAL_FOUND .GT. 0 )\n IF( OX_RADICAL_FOUND .GT. 0 )THEN\n ALLOCATE( OX_RADICAL_BUDGET( OX_RADICAL_FOUND ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating MECHANISM_BUDGET'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF \n END IF\n\n! find how reactions affect all chemistry species\n L = 0\n DO SPC = 1, NUMB_MECH_SPC\n S = 0\n IP = 0\n IL = 0\n MECHANISM_BUDGET( SPC )%SPECIES_NAME = CHEMISTRY_SPC( SPC )\n MECHANISM_BUDGET( SPC )%NREACTIONS = 0\n MECHANISM_BUDGET( SPC )%NRXNS_PROD = 0\n MECHANISM_BUDGET( SPC )%NRXNS_LOSS = 0\n IREACTION = 0\n COEFF_NET = 0.0D0\n COEFF_POS = 0.0D0\n COEFF_NEG = 0.0D0 \n! set indices for Ox radicals\n IF( IS_CHEM_OX_RADICAL( SPC ) )THEN\n L = L + 1\n OX_INDEX( L ) = SPC\n OX_RADICAL_BUDGET( L )%SPECIES_NAME = CHEMISTRY_SPC( SPC )\n OX_RADICAL_BUDGET( L )%NREACTIONS = 0\n OX_RADICAL_BUDGET( L )%NRXNS_PROD = 0\n OX_RADICAL_BUDGET( L )%NRXNS_LOSS = 0\n END IF \n! find effect on CHEMISTRY_SPC( SPC ) and save results\n DO R = 1, NRXNS\n COEFF = EFFECT_REACTION( SPC, R, C )\n IF( ABS( COEFF ) .GT. 1.0D-8 )THEN\n S = S + 1\n IREACTION( S ) = R\n COEFF_NET( S ) = COEFF\n IF( COEFF .GT. 0.0D0 )THEN\n IP = IP + 1\n IRXN_PROD( IP ) = R\n COEFF_POS( IP ) = COEFF\n ELSE\n IL = IL + 1\n IRXN_LOSS( IL ) = R\n COEFF_NEG( IL ) = ABS( COEFF )\n END IF\n END IF\n END DO\n! set up species budget \n IF( S .GT. 0 )THEN\n MECHANISM_BUDGET( SPC )%NREACTIONS = S\n ALLOCATE( MECHANISM_BUDGET( SPC )%IREACTION( S ),\n & MECHANISM_BUDGET( SPC )%COEFF_NET( S ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating bulk MECHANISM_BUDGET arrays'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF \n MECHANISM_BUDGET( SPC )%IREACTION( 1:S ) = IREACTION( 1:S )\n MECHANISM_BUDGET( SPC )%COEFF_NET( 1:S ) = COEFF_NET( 1:S )\n IF( IS_CHEM_OX_RADICAL( SPC ) )THEN\n OX_RADICAL_BUDGET( L )%NREACTIONS = S\n ALLOCATE( OX_RADICAL_BUDGET( L )%IREACTION( S ),\n & OX_RADICAL_BUDGET( L )%COEFF_NET( S ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating production OX_RADICAL_BUDGET arrays'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF \n OX_RADICAL_BUDGET( L )%IREACTION( 1:S ) = IRXN_PROD( 1:S )\n OX_RADICAL_BUDGET( L )%COEFF_NET( 1:S ) = COEFF_NET( 1:S )\n END IF\n IF( IP .GT. 0 )THEN\n! define production information\n MECHANISM_BUDGET( SPC )%NRXNS_PROD = IP\n ALLOCATE( MECHANISM_BUDGET( SPC )%IRXN_PROD( IP ),\n & MECHANISM_BUDGET( SPC )%COEFF_POS( IP ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating production MECHANISM_BUDGET arrays'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF \n MECHANISM_BUDGET( SPC )%IRXN_PROD( 1:IP ) = IRXN_PROD( 1:IP )\n MECHANISM_BUDGET( SPC )%COEFF_POS( 1:IP ) = COEFF_POS( 1:IP )\n! capture production information if OX radical\n IF( IS_CHEM_OX_RADICAL( SPC ) )THEN\n OX_RADICAL_BUDGET( L )%NRXNS_PROD = IP\n ALLOCATE( OX_RADICAL_BUDGET( L )%IRXN_PROD( IP ),\n & OX_RADICAL_BUDGET( L )%COEFF_POS( IP ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating production OX_RADICAL_BUDGET arrays'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF \n OX_RADICAL_BUDGET( L )%IRXN_PROD( 1:IP ) = IRXN_PROD( 1:IP )\n OX_RADICAL_BUDGET( L )%COEFF_POS( 1:IP ) = COEFF_POS( 1:IP )\n END IF\n END IF\n \n IF( IL .GT. 0 )THEN\n! define destruction information\n MECHANISM_BUDGET( SPC )%NRXNS_LOSS = IL\n ALLOCATE( MECHANISM_BUDGET( SPC )%IRXN_LOSS( IL ),\n & MECHANISM_BUDGET( SPC )%COEFF_NEG( IL ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating destruction MECHANISM_BUDGET arrays'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF \n MECHANISM_BUDGET( SPC )%IRXN_LOSS( 1:IL ) = IRXN_LOSS( 1:IL )\n MECHANISM_BUDGET( SPC )%COEFF_NEG( 1:IL ) = COEFF_NEG( 1:IL )\n! capture destruction information if OX radical\n IF( IS_CHEM_OX_RADICAL( SPC ) )THEN\n OX_RADICAL_BUDGET( L )%NRXNS_LOSS = IL\n ALLOCATE( OX_RADICAL_BUDGET( L )%IRXN_LOSS( IL ),\n & OX_RADICAL_BUDGET( L )%COEFF_NEG( IL ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating production OX_RADICAL_BUDGET arrays'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF \n OX_RADICAL_BUDGET( L )%IRXN_LOSS( 1:IL ) = IRXN_LOSS( 1:IL )\n OX_RADICAL_BUDGET( L )%COEFF_NEG( 1:IL ) = COEFF_NET( 1:IL )\n END IF\n END IF\n END IF \n END DO\n \n DEALLOCATE( IREACTION,\n & IRXN_PROD,\n & IRXN_LOSS,\n & COEFF_POS,\n & COEFF_NEG,\n & COEFF_NET ) \n\n\n! Set Hydrogen Peroxide budget data \n IF ( H2O2_INDEX .GT. 0 ) THEN\n H2O2_BUDGET%SPECIES_NAME = CHEMISTRY_SPC( H2O2_INDEX ) \n H2O2_BUDGET%NREACTIONS = MECHANISM_BUDGET( H2O2_INDEX )%NREACTIONS\n\n! set up reaction data with net hydrogen peroxide change \n S = H2O2_BUDGET%NREACTIONS\n IF ( S .GT. 0 ) THEN\n ALLOCATE( H2O2_BUDGET%IREACTION( S ),\n & H2O2_BUDGET%COEFF_NET( S ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating H2O2 budget array'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n H2O2_BUDGET%IREACTION( 1:S ) = MECHANISM_BUDGET( H2O2_INDEX )%IREACTION( 1:S )\n H2O2_BUDGET%COEFF_NET( 1:S ) = MECHANISM_BUDGET( H2O2_INDEX )%COEFF_NET( 1:S )\n END IF \n\n! define hydrogen peroxide production reaction information\n \n H2O2_BUDGET%NRXNS_PROD = MECHANISM_BUDGET( H2O2_INDEX )%NRXNS_PROD\n IP = H2O2_BUDGET%NRXNS_PROD\n IF ( IP .GT. 0 ) THEN\n ALLOCATE( H2O2_BUDGET%IRXN_PROD( IP ),\n & H2O2_BUDGET%COEFF_POS( IP ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating production H2O2_BUDGET arrays'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n H2O2_BUDGET%IRXN_PROD( 1:IP ) = MECHANISM_BUDGET( H2O2_INDEX )%IRXN_PROD( 1:IP )\n H2O2_BUDGET%COEFF_POS( 1:IP ) = MECHANISM_BUDGET( H2O2_INDEX )%COEFF_POS( 1:IP )\n END IF\n\n! define hydrogen peroxide production reaction information\n\n H2O2_BUDGET%NRXNS_LOSS = MECHANISM_BUDGET( H2O2_INDEX )%NRXNS_LOSS\n IL = H2O2_BUDGET%NRXNS_LOSS\n IF ( IL .GT. 0 ) THEN\n ALLOCATE( H2O2_BUDGET%IRXN_LOSS( IL ),\n & H2O2_BUDGET%COEFF_NEG( IL ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating production H2O2_BUDGET arrays'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n H2O2_BUDGET%IRXN_LOSS( 1:IL ) = MECHANISM_BUDGET( H2O2_INDEX )%IRXN_LOSS( 1:IL )\n H2O2_BUDGET%COEFF_NEG( 1:IL ) = MECHANISM_BUDGET( H2O2_INDEX )%COEFF_NEG( 1:IL )\n END IF\n\n END IF\n\n! Set Nitric Acid budget data \n IF ( HNO3_INDEX .GT. 0 ) THEN\n\n! set up reaction data with net nitric acid change \n HNO3_BUDGET%SPECIES_NAME = CHEMISTRY_SPC( HNO3_INDEX )\n HNO3_BUDGET%NREACTIONS = MECHANISM_BUDGET( HNO3_INDEX )%NREACTIONS\n S = HNO3_BUDGET%NREACTIONS\n IF ( S .GT. 0 ) THEN\n ALLOCATE( HNO3_BUDGET%IREACTION( S ),\n & HNO3_BUDGET%COEFF_NET( S ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating HNO3 budget array'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n HNO3_BUDGET%IREACTION( 1:S ) = MECHANISM_BUDGET( HNO3_INDEX )%IREACTION( 1:S )\n HNO3_BUDGET%COEFF_NET( 1:S ) = MECHANISM_BUDGET( HNO3_INDEX )%COEFF_NET( 1:S )\n END IF \n\n! define nitric acid production reaction information\n HNO3_BUDGET%NRXNS_PROD = MECHANISM_BUDGET( HNO3_INDEX )%NRXNS_PROD\n IP = HNO3_BUDGET%NRXNS_PROD\n IF ( IP .GT. 0 ) THEN\n ALLOCATE( HNO3_BUDGET%IRXN_PROD( IP ),\n & HNO3_BUDGET%COEFF_POS( IP ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating production HNO3_BUDGET arrays'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n HNO3_BUDGET%IRXN_PROD( 1:IP ) = MECHANISM_BUDGET( HNO3_INDEX )%IRXN_PROD( 1:IP )\n HNO3_BUDGET%COEFF_POS( 1:IP ) = MECHANISM_BUDGET( HNO3_INDEX )%COEFF_POS( 1:IP )\n END IF\n! define nitric acid destruction information\n HNO3_BUDGET%NRXNS_LOSS = MECHANISM_BUDGET( HNO3_INDEX )%NRXNS_LOSS\n IL = HNO3_BUDGET%NRXNS_LOSS\n IF ( IL .GT. 0 ) THEN\n ALLOCATE( HNO3_BUDGET%IRXN_LOSS( IL ),\n & HNO3_BUDGET%COEFF_NEG( IL ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating production HNO3_BUDGET arrays'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n HNO3_BUDGET%IRXN_LOSS( 1:IL ) = MECHANISM_BUDGET( HNO3_INDEX )%IRXN_LOSS( 1:IL )\n HNO3_BUDGET%COEFF_NEG( 1:IL ) = MECHANISM_BUDGET( HNO3_INDEX )%COEFF_NEG( 1:IL )\n END IF\n END IF\n\n NRXNS_PROD_HNO3 = HNO3_BUDGET%NRXNS_PROD\n NRXNS_PROD_H2O2 = H2O2_BUDGET%NRXNS_PROD\n NRXNS_PROD_H2O2_HNO3 = NRXNS_PROD_HNO3 + NRXNS_PROD_H2O2\n IF ( NRXNS_PROD_HNO3 .GT. 0 .AND. NRXNS_PROD_HNO3 .GT. 0 ) THEN\n ALLOCATE( H2O2_HNO3_PROD_RXNS( NRXNS_PROD_H2O2_HNO3 ),STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating production H2O2_HNO3_PROD_RXNS arrays'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n IP = NRXNS_PROD_H2O2\n IL = NRXNS_PROD_HNO3\n H2O2_HNO3_PROD_RXNS( 1:IP ) = H2O2_BUDGET%IRXN_PROD( 1:IP ) \n H2O2_HNO3_PROD_RXNS( (IP+1):IP+IL ) = HNO3_BUDGET%IRXN_PROD( 1:IL ) \n ALLOCATE( H2O2_HNO3_YIELD( NRXNS_PROD_H2O2_HNO3 ),STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating production H2O2_HNO3_YIELD arrays'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n H2O2_HNO3_YIELD( 1:IP ) = H2O2_BUDGET%COEFF_POS( 1:IP ) \n H2O2_HNO3_YIELD( (IP+1):IP+IL ) = HNO3_BUDGET%COEFF_POS( 1:IL ) \n END IF\n\n ALLOCATE( ISAM_SPC_BUDGET( ISAM_CHEMISTRY_SPC ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating ISAM_SPC_BUDGET'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF \n\n DO SPC = 1, ISAM_CHEMISTRY_SPC\n R = ISAM_TO_CHEM( SPC )\n ISAM_SPC_BUDGET( SPC )%SPECIES_NAME = MECHANISM_BUDGET( R )%SPECIES_NAME\n ISAM_SPC_BUDGET( SPC )%NREACTIONS = MECHANISM_BUDGET( R )%NREACTIONS \n ISAM_SPC_BUDGET( SPC )%NRXNS_PROD = MECHANISM_BUDGET( R )%NRXNS_PROD \n ISAM_SPC_BUDGET( SPC )%NRXNS_LOSS = MECHANISM_BUDGET( R )%NRXNS_LOSS \n! define net information\n S = ISAM_SPC_BUDGET( SPC )%NREACTIONS\n IF( S .GT. 0 )THEN\n ALLOCATE( ISAM_SPC_BUDGET( SPC )%IREACTION( S ),\n & ISAM_SPC_BUDGET( SPC )%COEFF_NET( S ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating bulk ISAM_SPC_BUDGET arrays'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF \n ISAM_SPC_BUDGET( SPC )%IREACTION( 1:S ) = MECHANISM_BUDGET( R )%IREACTION( 1:S )\n ISAM_SPC_BUDGET( SPC )%COEFF_NET( 1:S ) = MECHANISM_BUDGET( R )%COEFF_NET( 1:S )\n END IF \n IP = ISAM_SPC_BUDGET( SPC )%NRXNS_PROD\n IF( IP .GT. 0 )THEN\n! define production information\n ALLOCATE( ISAM_SPC_BUDGET( SPC )%IRXN_PROD( IP ),\n & ISAM_SPC_BUDGET( SPC )%COEFF_POS( IP ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating production ISAM_SPC_BUDGET arrays'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF \n ISAM_SPC_BUDGET( SPC )%IRXN_PROD( 1:IP ) = MECHANISM_BUDGET( R )%IRXN_PROD( 1:IP )\n ISAM_SPC_BUDGET( SPC )%COEFF_POS( 1:IP ) = MECHANISM_BUDGET( R )%COEFF_POS( 1:IP )\n END IF \n IL = ISAM_SPC_BUDGET( SPC )%NRXNS_LOSS\n IF( IL .GT. 0 )THEN\n! define destruction information\n ALLOCATE( ISAM_SPC_BUDGET( SPC )%IRXN_LOSS( IL ),\n & ISAM_SPC_BUDGET( SPC )%COEFF_NEG( IL ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating production ISAM_SPC_BUDGET arrays'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF \n ISAM_SPC_BUDGET( SPC )%IRXN_LOSS( 1:IL ) = MECHANISM_BUDGET( R )%IRXN_LOSS( 1:IL )\n ISAM_SPC_BUDGET( SPC )%COEFF_NEG( 1:IL ) = MECHANISM_BUDGET( R )%COEFF_NEG( 1:IL )\n END IF \n WRITE(ISAM_LOG,*)SPC, ISAM_SPC_BUDGET( SPC )%SPECIES_NAME,IP,IL \n END DO \n \n! report budget for mechanism species and OX radicals\n IF( WRITE_BUDGET_REPORT ) THEN\n CALL REPORT_MECH_BUDGET( ISAM_LOG )\n IF( OX_RADICAL_FOUND .GT. 0 )THEN\n CALL REPORT_OX_RADICALS( ISAM_LOG )\n ELSE\n MSG = \"Note that no Oxygen Radicals were found in mechanism.\" \n WRITE(ISAM_LOG,'(A)')TRIM( MSG )\n END IF\n IF( ISAM_CHEMISTRY_SPC .GT. 0 )THEN\n CALL REPORT_ISAM_BUDGET( ISAM_LOG )\n ELSE\n MSG = \"Note that ISAM found in mechanism.\" \n WRITE(ISAM_LOG,'(A)')TRIM( MSG )\n END IF\n END IF \n \n END SUBROUTINE SA_IRR_INIT\n REAL(8) FUNCTION EFFECT_REACTION( NAMINDX, NRX, OCCURS )\n\nC-----------------------------------------------------------------------\nC Function: To find net effect on the number of species molecules from a reaction \n \nC Preconditions: None\n \nC Key Subroutines/Functions Called: None\n \nC Revision History:\nC Prototype created by Bill Hutzell, May, 2018\nC-----------------------------------------------------------------------\n USE RXNS_DATA\n\n IMPLICIT NONE\n \nC Includes: None\n \nC Arguments:\n INTEGER, INTENT(IN ) :: NAMINDX ! Index for chemistry species \n INTEGER, INTENT(IN ) :: NRX ! Reaction number\n INTEGER, INTENT(INOUT) :: OCCURS ! Number of products and reaction \n \nC Parameters: None\n\nC External Functions: None \n\nC Local Variables:\n\n CHARACTER( 16 ) :: SPECIS ! Species name to check\n\n INTEGER INDX ! Pointer to reactant or product in CHEMISTRY_SPC array\n INTEGER IRRPNTR ! Pointer to reactant or product in IRR array\n INTEGER N ! Loop index over IRR array\n\n REAL(8) TOTAL ! Sum of molecular production and loss coeffecients\n \nC-----------------------------------------------------------------------\n OCCURS = 0\n TOTAL = 0.0D0\n\n SPECIS = CHEMISTRY_SPC( NAMINDX )\nc..Subtract the number of species molecules lost in this reaction\n DO N = 1, NREACT( NRX )\n INDX = IRR( NRX, N )\n IF ( INDX .EQ. NAMINDX ) THEN\n TOTAL = TOTAL - 1.0D0\n OCCURS = OCCURS + 1\n END IF \n END DO\n \nc..Add the number of species molecules produced in this reaction\n DO N = 1, NPRDCT( NRX )\n IRRPNTR = N + 3\n INDX = IRR( NRX, IRRPNTR )\n IF ( INDX .EQ. NAMINDX ) THEN\n TOTAL = TOTAL + REAL( SC( NRX,N ), 8)\n OCCURS = OCCURS + 1\n END IF \n END DO\n\n EFFECT_REACTION = TOTAL\n\n RETURN\n\n END FUNCTION EFFECT_REACTION\n SUBROUTINE REPORT_MECH_BUDGET( OUT_UNIT )\n! purpose writes out \n USE RXNS_DATA\n\n IMPLICIT NONE\n\n\n!..Arguments:\n INTEGER, INTENT( IN ) :: OUT_UNIT ! output unit #\n \n INTEGER SPC\n INTEGER IR, NR\n \n DO SPC = 1, NUMB_MECH_SPC\n WRITE(OUT_UNIT,95000)MECHANISM_BUDGET( SPC )%SPECIES_NAME, \n & MECHANISM_BUDGET( SPC )%NREACTIONS\n DO NR = 1, MECHANISM_BUDGET( SPC )%NREACTIONS\n IR = MECHANISM_BUDGET( SPC )%IREACTION( NR )\n WRITE(OUT_UNIT,95001)RXLABEL( IR ),MECHANISM_BUDGET( SPC )%COEFF_NET( NR )\n END DO\n WRITE(OUT_UNIT,95005)MECHANISM_BUDGET( SPC )%SPECIES_NAME, \n & MECHANISM_BUDGET( SPC )%NRXNS_PROD\n DO NR = 1, MECHANISM_BUDGET( SPC )%NRXNS_PROD\n IR = MECHANISM_BUDGET( SPC )%IRXN_PROD( NR )\n WRITE(OUT_UNIT,95001)RXLABEL( IR ),MECHANISM_BUDGET( SPC )%COEFF_POS( NR )\n END DO\n END DO\n \n95000 FORMAT(\"Chemistry species, \",A16,\", changed by the \",I4,\" below reactions\",\n & / 3X, \"Reaction Label \",1X,\"Net Coeff.\" )\n95001 FORMAT(3X,A16,1X,ES12.4)\n95005 FORMAT(\"Radical species, \",A16,\", produced by the \",I4,\" below reactions\",\n & / 3X, \"Reaction Label \",1X,\"Net Coeff.\" )\n\n END SUBROUTINE REPORT_MECH_BUDGET \n SUBROUTINE REPORT_OX_RADICALS( OUT_UNIT )\n! purpose writes out production and loss reaction for each OX radical\n USE RXNS_DATA\n\n IMPLICIT NONE\n\n!..Arguments:\n INTEGER, INTENT( IN ) :: OUT_UNIT ! output unit #\n \n INTEGER SPC\n INTEGER IR, NR\n \n DO SPC = 1, OX_RADICAL_FOUND\n IF( OX_RADICAL_BUDGET( SPC )%NRXNS_PROD .GT. 0 )THEN\n WRITE(OUT_UNIT,95005)OX_RADICAL_BUDGET( SPC )%SPECIES_NAME, \n & OX_RADICAL_BUDGET( SPC )%NRXNS_PROD\n DO NR = 1, OX_RADICAL_BUDGET( SPC )%NRXNS_PROD\n IR = OX_RADICAL_BUDGET( SPC )%IRXN_PROD( NR )\n WRITE(OUT_UNIT,95001)RXLABEL( IR ),OX_RADICAL_BUDGET( SPC )%COEFF_POS( NR )\n END DO\n ELSE \n WRITE(OUT_UNIT,95003)OX_RADICAL_BUDGET( SPC )%SPECIES_NAME \n END IF \n IF( OX_RADICAL_BUDGET( SPC )%NRXNS_LOSS .GT. 0 )THEN\n WRITE(OUT_UNIT,95002)OX_RADICAL_BUDGET( SPC )%SPECIES_NAME, \n & OX_RADICAL_BUDGET( SPC )%NRXNS_LOSS\n DO NR = 1, OX_RADICAL_BUDGET( SPC )%NRXNS_LOSS\n IR = OX_RADICAL_BUDGET( SPC )%IRXN_LOSS( NR )\n WRITE(OUT_UNIT,95001)RXLABEL( IR ),OX_RADICAL_BUDGET( SPC )%COEFF_NEG( NR )\n END DO\n ELSE\n WRITE(OUT_UNIT,95004)OX_RADICAL_BUDGET( SPC )%SPECIES_NAME \n END IF \n END DO\n \n95005 FORMAT(\"Radical species, \",A16,\", produced by the \",I4,\" below reactions\",\n & / 3X, \"Reaction Label \",1X,\"Net Coeff.\" )\n95001 FORMAT(3X,A16,1X,ES12.4)\n95002 FORMAT(\"Radical species, \",A16,\", destoryed by the \",I4,\" below reactions\",\n & / 3X, \"Reaction Label \",1X,\"Net Coeff.\" )\n95003 FORMAT(A16, \" radical not produced by any reactions.\")\n95004 FORMAT(A16, \" radical not destoryed by any reactions.\")\n\n END SUBROUTINE REPORT_OX_RADICALS\n SUBROUTINE REPORT_ISAM_BUDGET( OUT_UNIT )\n! purpose writes out \n USE RXNS_DATA\n\n IMPLICIT NONE\n\n\n!..Arguments:\n INTEGER, INTENT( IN ) :: OUT_UNIT ! output unit #\n \n INTEGER SPC\n INTEGER IR, NR\n \n DO SPC = 1, ISAM_CHEMISTRY_SPC\n WRITE(OUT_UNIT,95100)ISAM_SPC_BUDGET( SPC )%SPECIES_NAME, \n & ISAM_SPC_BUDGET( SPC )%NREACTIONS\n DO NR = 1, ISAM_SPC_BUDGET( SPC )%NREACTIONS\n IR = ISAM_SPC_BUDGET( SPC )%IREACTION( NR )\n WRITE(OUT_UNIT,95101)RXLABEL( IR ),ISAM_SPC_BUDGET( SPC )%COEFF_NET( NR )\n END DO\n WRITE(OUT_UNIT,95105)ISAM_SPC_BUDGET( SPC )%SPECIES_NAME, \n & ISAM_SPC_BUDGET( SPC )%NRXNS_PROD\n DO NR = 1, ISAM_SPC_BUDGET( SPC )%NRXNS_PROD\n IR = ISAM_SPC_BUDGET( SPC )%IRXN_PROD( NR )\n WRITE(OUT_UNIT,95101)RXLABEL( IR ),ISAM_SPC_BUDGET( SPC )%COEFF_POS( NR )\n END DO\n END DO\n \n95100 FORMAT(\" ISAM species, \",A16,\", changed by the \",I4,\" below reactions\",\n & / 3X, \"Reaction Label \",1X,\"Net Coeff.\" )\n95101 FORMAT(3X,A16,1X,ES12.4)\n95105 FORMAT(\" ISAM species, \",A16,\", produced by the \",I4,\" below reactions\",\n & / 3X, \"Reaction Label \",1X,\"Net Coeff.\" )\n\n END SUBROUTINE REPORT_ISAM_BUDGET \n SUBROUTINE SA_IRR_EXTRACT( COL, ROW, LAY, DENS, CONC )\n \n USE HGRD_DEFN\n USE VGRD_DEFN\n USE RXNS_DATA\n USE UTILIO_DEFN\n USE SA_DEFN \n\n IMPLICIT NONE\n\n!..Arguments:\n INTEGER, INTENT( IN ) :: COL ! cell column index\n INTEGER, INTENT( IN ) :: ROW ! cell row index \n INTEGER, INTENT( IN ) :: LAY ! cell layer index \n REAL, INTENT( IN ) :: DENS ! air mass density, kg/m3\n REAL(8), INTENT( IN ) :: CONC( : ) ! cgrid concentrations\n\nC..Includes:\n INCLUDE SUBST_CONST ! CMAQ constants\n\n!..Local:\n CHARACTER( 16 ), PARAMETER :: PNAME = 'SA_IRR_EXTRACT' ! Program name\n\n REAL :: FACTOR2\n REAL( 8 ) :: TOTAL, FACTOR1, FACTOR3\n REAL( 8 ) :: INV_DENS ! one over air mass density, m3/kg\n\n INTEGER :: JSPC, KTAG\n!..variables borrowed from DDM\n INTEGER :: I, J, RXN\n INTEGER :: C, L, R, S ! Loop indices\n INTEGER :: SPC ! array index\n! REAL(8) :: TAGS_TOTAL\n \n! INTEGER :: IOS \n! CHARACTER( 132 ) :: MSG\n\n SOLD = ZERO\n\n INV_DENS = REAL( ONE/DENS, 8 )\n \n DO JSPC = 1, ISAM_CHEMISTRY_SPC\n S = ISAM_TO_CHEM( JSPC )\n SPC = ISAM_SPC_MAP( JSPC )\n IS_TAG_NONZERO = .FALSE.\n LOAD_SOLD: DO KTAG = 1, NTAG_SA\n SOLD( KTAG, S ) = MAX( ZERO,\n & REAL( ISAM( COL,ROW,LAY,SPC,KTAG ),8 ))\n END DO LOAD_SOLD ! ktag loop\n! TAGS_TOTAL = SUM( SOLD( 1:NTAG_SA, S ) )\n! TAGS_TOTAL = 1.0D0 / MAX( TAGS_TOTAL, DCONMIN_TAG )\n FILTER_SOLD: DO KTAG = 1, NTAG_SA\n! FRAC_TOTAL( KTAG ) = SOLD( KTAG, S ) * TAGS_TOTAL\n IF( SOLD( KTAG, S ) .GT. ZERO )THEN\n IS_TAG_NONZERO( KTAG ) = .TRUE.\n IF( CONVERT_ISAM( JSPC ) )THEN\n SOLD( KTAG, S ) = SOLD( KTAG, S )\n & * INV_DENS * UGM3_TO_PPM( JSPC )\n END IF\n IF( SOLD( KTAG,S ) .LT. CUTOFF )THEN\n SOLD( KTAG,S ) = ZERO\n END IF\n END IF\n END DO FILTER_SOLD ! ktag loop\n\n! Remove bangs to prevent All SOLD equaling zero \n! IF( MAXVAL( SOLD( 1:NTAG_SA,S ) ) .LE. ZERO )THEN\n! IF( ANY( IS_TAG_NONZERO ) )THEN\n! DO KTAG = 1, NTAG_SA \n! IF( IS_TAG_NONZERO( KTAG ) )THEN\n! SOLD( KTAG,S ) = FRAC_TOTAL( KTAG ) * DCONMIN_TAG\n! END IF\n! END DO\n! END IF \n END DO ! loop jspc\n\n#ifdef verbose_isam \n IF( WRITE_CELL )THEN\n DO KTAG = 1, NTAG_SA\n WRITE(ISAM_LOG,*)' '\n WRITE(ISAM_LOG,'(A24,2(1X,ES12.4))')'Initial MAX Values',\n & MAXVAL(ISAM(:,:,:,:,KTAG))\n END DO ! ktag loop\n DO JSPC = 1, NSPC_SA \n TOTAL = SUM( ISAM( COL,ROW,LAY,JSPC,1:NTAG_SA ) )\n WRITE(ISAM_LOG,'(A16,11(1X,ES12.4))')ISAM_SPEC( JSPC,OTHRTAG ),\n & (ISAM( COL,ROW,LAY,JSPC,KTAG ),KTAG = 1, NTAG_SA), TOTAL\n END DO\n WRITE(ISAM_LOG,*)'EX: Initial Totals'\n DO JSPC = 1, ISAM_CHEMISTRY_SPC\n S = ISAM_TO_CHEM( JSPC )\n SPC = ISAM_SPC_MAP( JSPC ) \n TOTAL = 0.0\n DO KTAG = 1, NTAG_SA\n TOTAL = TOTAL + ISAM( COL,ROW,LAY,SPC,KTAG )\n END DO \n WRITE(ISAM_LOG,'(2(A16,1X),5(1X,ES12.4))')ISAM_SPEC( SPC,OTHRTAG ), CHEMISTRY_SPC(S), \n & TOTAL, CONC( S ),TOTAL-CONC( S ), TOTAL/CONC( S )\n END DO ! loop jspc\n END IF\n#endif\n END SUBROUTINE SA_IRR_EXTRACT\n SUBROUTINE SA_IRR_UPLOAD( COL, ROW, LAY, DENS, CONC )\n \n USE HGRD_DEFN\n USE VGRD_DEFN\n USE RXNS_DATA\n USE UTILIO_DEFN\n USE SA_DEFN ! 20130517\n\n IMPLICIT NONE\n\n!..Arguments:\n INTEGER, INTENT( IN ) :: COL ! cell column index\n INTEGER, INTENT( IN ) :: ROW ! cell row index \n INTEGER, INTENT( IN ) :: LAY ! cell layer index \n REAL, INTENT( IN ) :: DENS ! air mass density, kg/m3\n REAL(8), INTENT( IN ) :: CONC( : ) ! cgrid concentrations\n\nC..Includes:\n INCLUDE SUBST_CONST ! CMAQ constants\n\n!..Local:\n CHARACTER( 16 ), PARAMETER :: PNAME = 'SA_IRR_UPLOAD' ! Program name\n\n REAL :: TOTAL\n REAL( 8 ) :: INV_DENS ! one over air mass density, m3/kg\n\n INTEGER :: JSPC, KTAG\n INTEGER :: I, J, RXN\n INTEGER :: C, L, R, S ! Loop indices\n INTEGER :: SPC ! array index\n \n! INTEGER :: IOS \n! CHARACTER( 132 ) :: MSG\n\n REAL :: TEMP_VALUE\n\n DO JSPC = 1, ISAM_CHEMISTRY_SPC\n S = ISAM_TO_CHEM( JSPC )\n SPC = ISAM_SPC_MAP( JSPC ) \n LOAD_ISAM: DO KTAG = 1, NTAG_SA\n IF( SOLD( KTAG,S ) .GT. DCONCMIN )THEN\n TEMP_VALUE = REAL( SOLD( KTAG,S ) )\n IF( CONVERT_ISAM( JSPC ) )THEN\n TEMP_VALUE = TEMP_VALUE\n & * DENS * PPM_TO_UGM3( JSPC )\n END IF\n ISAM( COL,ROW,LAY,SPC,KTAG ) = MAX( CONMIN_TAG, TEMP_VALUE )\n ELSE\n ISAM( COL,ROW,LAY,SPC,KTAG ) = ZERO\n END IF \n END DO LOAD_ISAM ! ktag loop \n END DO ! jspc\n \n#ifdef verbose_isam \n IF( WRITE_CELL )THEN\n DO KTAG = 1, NTAG_SA\n WRITE(ISAM_LOG,*)' '\n WRITE(ISAM_LOG,'(A24,2(1X,ES12.4))')'Final MAX Values',\n & MAXVAL(ISAM(:,:,:,:,KTAG))\n END DO ! ktag loop\n DO JSPC = 1, NSPC_SA \n TOTAL = SUM( ISAM( COL,ROW,LAY,JSPC,1:NTAG_SA ) )\n WRITE(ISAM_LOG,'(A16,11(1X,ES12.4))')ISAM_SPEC( JSPC,OTHRTAG ),\n & (ISAM( COL,ROW,LAY,JSPC,KTAG ),KTAG = 1, NTAG_SA), TOTAL\n END DO\n WRITE(ISAM_LOG,*)'UP: Final Totals'\n DO JSPC = 1, ISAM_CHEMISTRY_SPC\n S = ISAM_TO_CHEM( JSPC )\n SPC = ISAM_SPC_MAP( JSPC )\n TEMP_VALUE = MAX( REAL(CONC( S )),1.0E-30 )\n TOTAL = 0.0\n DO KTAG = 1, NTAG_SA\n TOTAL = TOTAL + ISAM( COL,ROW,LAY,SPC,KTAG )\n END DO \n WRITE(ISAM_LOG,'(2(A16,1X),3(1X,ES12.4))')ISAM_SPEC( SPC,OTHRTAG ), CHEMISTRY_SPC(S), \n & TOTAL,TEMP_VALUE,TOTAL-TEMP_VALUE\n END DO ! loop jspc\n END IF\n#endif\n END SUBROUTINE SA_IRR_UPLOAD\nC----------------------------------------------------------------------\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE SA_IRR_UNBLOCKED ( LSTART, RK, CONC, DELT )\n\nC-----------------------------------------------------------------------\nC Function: Iupdate tag concentrations\n \nC Preconditions: None\n \nC Key Subroutines/Functions Called: None\n \nC Revision History:\nC Prototype created by Jerry Gipson, September, 1996\nC global BLKPRM Jeff Dec 96\nC Modified Sept, 1997 by Jerry Gipson to be consistent with targeted CTM\nC Modified Jun, 1998 by Jerry Gipson to add reaction number error checks\nC Modified 1/19/99 by David Wong at LM:\nC -- add four include files because of new PA_CMN.EXT\nC Modified 2/26/99 by David Wong at LM:\nC -- remove SUBST_AE_SPC, SUBST_NR_SPC, SUBST_TR_SPC,\nC three .EXT files\nC 31 Mar 01 J.Young: Use HGRD_DEFN; eliminate BLKPRM.EXT\nC 31 Jan 05 J.Young: dyn alloc - establish both horizontal & vertical\nC domain specifications in one module\nC 21 Jun 10 J.Young: convert for Namelist redesign\nC 19 Aug 11 J.Young: Replaced I/O API include files with UTILIO_DEFN\nC 07 Jul 14 B.Hutzell: replaced mechanism include file(s) with fortran module\n\nC-----------------------------------------------------------------------\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE RXNS_DATA ! chemical mechanism data\n USE CGRID_SPCS ! CGRID mechanism species\n USE SA_DEFN\n USE UTILIO_DEFN\n\n IMPLICIT NONE \n\nC..Includes: None\n \nC..Arguments: \n LOGICAL, INTENT( IN ) :: LSTART ! Flag to indicate start of chemical integration period\n\n REAL( 8 ), INTENT( IN ) :: RK ( : ) ! Reaction rate coefficients\n REAL( 8 ), INTENT( IN ) :: CONC( : ) ! species concentrations\n REAL( 8 ), INTENT( IN ) :: DELT ! Chemistry integration time size\n\nC..Parameters: None\n\n REAL(8), SAVE :: NOX_VOC_SWITCH ! REAL( VOC_NOX_TRANS,8 ), switch between NOx to limiting ozone production\n \nC..External Functions: None\n \n CHARACTER( 16 ) , SAVE :: PNAME = 'PA_IRR' ! Program name\n CHARACTER( 132) :: MSG\n\n LOGICAL, SAVE :: LFIRST = .TRUE. ! Flag for first call to subroutine\n\nC..Scratch Local Variables:\n INTEGER ISP1, ISP2, ISP3 ! Species indices\n INTEGER S, JSPC, SPC ! Species indices\n INTEGER NCELL ! Loop index for cells\n INTEGER NIRR ! Loop index for IRR outputs\n INTEGER NOUT ! IRR output index\n INTEGER NC,NR,NRX ! Loop index for reactions\n INTEGER NTEMP ! Loop index for temp IRRs\n INTEGER NTERM ! Loop index for terms\n INTEGER ASTAT ! allocation status\n INTEGER KTAG ! Loop index/pointer for source\n INTEGER POSITIVE ! count of tag concentration greater than zero\n\n REAL(8) TOTAL ! scratch term for summations\n REAL(8) TOTAL_PROD ! scratch term for total bulk production\n REAL(8) ISAM_PROD ! scratch term for total isam production\n REAL(8) TERM ! scratch term for summations\n REAL(8) TOTAL_LOSS ! scratch term for total bulk loss\n REAL(8) ISAM_LOSS ! scratch term for total isam loss\n REAL(8) LOSS_FACT ! effective loss frequency\n REAL(8) DELTA_BULK ! change in bulk concentration\n REAL(8) DELTA_H2O2 ! change in bulk H2O2 concentration\n REAL(8) DELTA_HNO3 ! change in bulk HNO3 concentration\n REAL(8) COEFF ! Coefficient of IRR term\n REAL(8) TOTAL_PROBABILITY ! normalization coefficient for SOURCE_PROBABILITY\n REAL(8) ISAM_TOTAL_PROBABILITY ! normalization coefficient for ISAM_PROBABILITY\n REAL(8) H2O2_Production ! gross hydrogen peroxide production\n REAL(8) HNO3_Production ! gross nitric acid production\n \n LOGICAL :: REMOVED = .FALSE. ! whether initial concentrations are wiped out\n LOGICAL, SAVE :: DISTRIBUTE_TO_ALL = .TRUE. ! distribute extra production among all source tags \n ! or just to the other source tag\n \n LOGICAL, ALLOCATABLE, SAVE :: SOURCE_ZERO( : ) ! whether source concentration greater than zero \nC..Saved Local Variables:\n\n REAL( 8 ), ALLOCATABLE, SAVE :: YCOLD ( : ) ! bulk concentrations from previous time step\n REAL( 8 ), ALLOCATABLE, SAVE :: OUTSIDE( : ) ! species concentration outside isam tags\n REAL( 8 ), ALLOCATABLE, SAVE :: YCMID ( : ) ! bulk concentrations from previous time step\n REAL( 8 ), ALLOCATABLE, SAVE :: YCRATES( : ) ! bulk concentration used to calculate reactionvrates \n REAL( 8 ), ALLOCATABLE, SAVE :: RXRAT ( : ) ! reactions rates \n REAL( 8 ), ALLOCATABLE, SAVE :: INTRXN ( : ) ! Integrated reaction rates\n\n REAL( 8 ) :: ONE_OVER_CONC ! reciprocal of total species concentrations\n REAL( 8 ), ALLOCATABLE, SAVE :: TOTAL_ISAM_CONC( : ) ! total concentrations from isam sources\n REAL( 8 ), ALLOCATABLE, SAVE :: NOT_OUTSIDE_ISAM( : ) ! fraction of species not from non-isam sources\n REAL( 8 ), ALLOCATABLE, SAVE :: NOT_ISAM_SOURCE( :,: ) ! fraction of species not from an isam source\n REAL( 8 ), ALLOCATABLE, SAVE :: ISAM_SOURCE( :,: ) ! fraction of species from an isam source\n REAL( 8 ), ALLOCATABLE, SAVE :: SOURCE_PROBABILITY( :,: ) ! probability or amount that a source contributes to reaction\n REAL( 8 ), ALLOCATABLE, SAVE :: SOURCE_DELTA ( :,: ) ! change in source tag species \n REAL( 8 ), ALLOCATABLE, SAVE :: SA_DELTA( : )\n REAL( 8 ), ALLOCATABLE, SAVE :: SA_LOSS( : )\n REAL( 8 ), ALLOCATABLE, SAVE :: ISAM_PROBABILITY ( :,: ) ! probability or amount that a source contributes to reaction \n LOGICAL, ALLOCATABLE, SAVE :: ZERO_ISAM( : ) ! whether isam species have no effect on reaction\n LOGICAL, ALLOCATABLE, SAVE :: REBALANCE( : ) ! renormalize tag concentration when production occurs\n LOGICAL, ALLOCATABLE, SAVE :: SOURCE_NONZERO( :,: ) ! fraction of species not from an isam source\n\n INTEGER, ALLOCATABLE, SAVE :: MAP_REACTANT_CASE( : ) \n LOGICAL, ALLOCATABLE, SAVE :: TWO_REACTANT_CASE( :,:,: )\n LOGICAL, ALLOCATABLE, SAVE :: THREE_REACTANT_CASE( :,:,: )\n \n \n\nC-----------------------------------------------------------------------\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc On first call, flag the reactions for which to calculate IRRS\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( LFIRST ) THEN\n\nC set value of NOX_VOC_SWITCH\n\n NOX_VOC_SWITCH = REAL( VOC_NOX_TRANS,8 )\n\nC Allocate arrays:\n\n ALLOCATE( YCOLD( NUMB_MECH_SPC ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n MSG = 'ERROR allocating YCOLD variable'\n CALL M3EXIT ( 'SA_IRR', 0, 0, MSG, XSTAT2 )\n END IF\n\n ALLOCATE( YCMID( NUMB_MECH_SPC ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n MSG = 'ERROR allocating YCOLD variable'\n CALL M3EXIT ( 'SA_IRR', 0, 0, MSG, XSTAT2 )\n END IF\n \n ALLOCATE( YCRATES( NUMB_MECH_SPC ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n MSG = 'ERROR allocating YCRATES variable'\n CALL M3EXIT ( 'SA_IRR', 0, 0, MSG, XSTAT2 )\n END IF\n \n ALLOCATE( OUTSIDE( NUMB_MECH_SPC ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n MSG = 'ERROR allocating YCOLD variable'\n CALL M3EXIT ( 'SA_IRR', 0, 0, MSG, XSTAT2 )\n END IF\n \n OUTSIDE = 0.0D0\n \n ALLOCATE( RXRAT ( NRXNS ),\n & INTRXN ( NRXNS ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n MSG = 'ERROR allocating SA_IRR variables'\n CALL M3EXIT ( 'SA_IRR', 0, 0, MSG, XSTAT2 )\n END IF\n\n! ALLOCATE( ONE_OVER_CONC( NUMB_MECH_SPC ), STAT = ASTAT )\n! IF ( ASTAT .NE. 0 ) THEN\n! MSG = 'ERROR allocating SA_IRR variables'\n! CALL M3EXIT ( 'SA_IRR', 0, 0, MSG, XSTAT2 )\n! END IF\n\n ALLOCATE( TOTAL_ISAM_CONC( NUMB_MECH_SPC ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n MSG = 'ERROR allocating SA_IRR variables'\n CALL M3EXIT ( 'SA_IRR', 0, 0, MSG, XSTAT2 )\n END IF\n\n ALLOCATE( NOT_ISAM_SOURCE( NTAG_SA, NUMB_MECH_SPC ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n MSG = 'ERROR allocating SA_IRR variables'\n CALL M3EXIT ( 'SA_IRR', 0, 0, MSG, XSTAT2 )\n END IF\n\n ALLOCATE( ISAM_SOURCE( NTAG_SA, NUMB_MECH_SPC ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n MSG = 'ERROR allocating SA_IRR variables'\n CALL M3EXIT ( 'SA_IRR', 0, 0, MSG, XSTAT2 )\n END IF\n\n ALLOCATE( SOURCE_PROBABILITY( NTAG_SA + 1, NRXNS ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n MSG = 'ERROR allocating SA_IRR variables'\n CALL M3EXIT ( 'SA_IRR', 0, 0, MSG, XSTAT2 )\n END IF\n\n ALLOCATE( ISAM_PROBABILITY( NTAG_SA, NRXNS ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n MSG = 'ERROR allocating ISAM_PROBABILITY variables'\n CALL M3EXIT ( 'SA_IRR', 0, 0, MSG, XSTAT2 )\n END IF\n\n ALLOCATE( ZERO_ISAM( NRXNS ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n MSG = 'ERROR allocating ZERO_ISAM '\n CALL M3EXIT ( 'SA_IRR', 0, 0, MSG, XSTAT2 )\n END IF\n\n ALLOCATE( REBALANCE( NUMB_MECH_SPC ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n MSG = 'ERROR allocating REBALANCE '\n CALL M3EXIT ( 'SA_IRR', 0, 0, MSG, XSTAT2 )\n END IF\n REBALANCE = .FALSE.\n \n ALLOCATE( SOURCE_DELTA( NTAG_SA + 1, NUMB_MECH_SPC ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n MSG = 'ERROR allocating SOURCE_DELTA '\n CALL M3EXIT ( 'SA_IRR', 0, 0, MSG, XSTAT2 )\n END IF\n\n ALLOCATE( SA_DELTA( NTAG_SA ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n MSG = 'ERROR allocating SA_DELTA '\n CALL M3EXIT ( 'SA_IRR', 0, 0, MSG, XSTAT2 )\n END IF\n\n ALLOCATE( SA_LOSS( NTAG_SA ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n MSG = 'ERROR allocating SA_LOSS '\n CALL M3EXIT ( 'SA_IRR', 0, 0, MSG, XSTAT2 )\n END IF\n\n ALLOCATE( SOURCE_ZERO( NTAG_SA + 1 ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n MSG = 'ERROR allocating SOURCE_ZERO '\n CALL M3EXIT ( 'SA_IRR', 0, 0, MSG, XSTAT2 )\n END IF\n LFIRST = .FALSE.\n\n ALLOCATE( NOT_OUTSIDE_ISAM( NUMB_MECH_SPC ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n MSG = 'ERROR allocating SA_IRR variables'\n CALL M3EXIT ( 'SA_IRR', 0, 0, MSG, XSTAT2 )\n END IF\n\n ALLOCATE( SOURCE_NONZERO( NTAG_SA, NUMB_MECH_SPC ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n MSG = 'ERROR allocating SA_IRR variables'\n CALL M3EXIT ( 'SA_IRR', 0, 0, MSG, XSTAT2 )\n END IF\n\n SOURCE_NONZERO = .TRUE.\n\n! map unimolecular, bimolecular and trimolecular reactions\n \n ALLOCATE( MAP_REACTANT_CASE( NRXNS ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n MSG = 'ERROR allocating SA_IRR variables'\n CALL M3EXIT ( 'SA_IRR', 0, 0, MSG, XSTAT2 )\n END IF\n MAP_REACTANT_CASE = -1\n \n ISP1 = 0\n ISP2 = 0\n ISP3 = 0\n DO NRX = 1, NRXNS\n SELECT CASE ( NREACT( NRX ) )\n CASE ( 1 )\n ISP1 = ISP1 + 1 \n MAP_REACTANT_CASE( NRX ) = ISP1\n CASE( 2 ) \n ISP2 = ISP2 + 1 \n MAP_REACTANT_CASE( NRX ) = ISP2\n CASE( 3 )\n ISP3 = ISP3 + 1 \n MAP_REACTANT_CASE( NRX ) = ISP3\n END SELECT\n END DO\n\n IF( ISP2 .GT. 0 )THEN\n ALLOCATE( TWO_REACTANT_CASE( NBIAS,ISP2,3 ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n MSG = 'ERROR allocating SA_IRR variables'\n CALL M3EXIT ( 'SA_IRR', 0, 0, MSG, XSTAT2 )\n END IF\n TWO_REACTANT_CASE = .FALSE.\n END IF\n \n IF( ISP3 .GT. 0 )THEN\n ALLOCATE( THREE_REACTANT_CASE( NBIAS,ISP3,7 ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n MSG = 'ERROR allocating SA_IRR variables'\n CALL M3EXIT ( 'SA_IRR', 0, 0, MSG, XSTAT2 )\n END IF\n THREE_REACTANT_CASE = .FALSE.\n END IF \n\nC...Calculate reactant cases based on species_bias for each reactant\n DO NC = 1, NBIAS\n DO NRX = 1, NRXNS\n NR = MAP_REACTANT_CASE( NRX )\n SELECT CASE ( NREACT( NRX ) )\n CASE( 2 ) \n ISP1 = IRR( NRX,1 )\n ISP2 = IRR( NRX,2 )\n TWO_REACTANT_CASE( NC,NR,1 ) = ( BIAS_CHEMISTRY_SPC( NC,ISP1 ) \n & .AND. .NOT. BIAS_CHEMISTRY_SPC( NC,ISP2 ) )\n TWO_REACTANT_CASE( NC,NR,2 ) = ( .NOT. BIAS_CHEMISTRY_SPC( NC,ISP1 ) \n & .AND. BIAS_CHEMISTRY_SPC( NC,ISP2 ) )\n TWO_REACTANT_CASE( NC,NR,3 ) = ( .NOT. BIAS_CHEMISTRY_SPC( NC,ISP1 ) \n & .AND. .NOT. BIAS_CHEMISTRY_SPC( NC,ISP2 ) )\n & .OR. ( BIAS_CHEMISTRY_SPC( NC,ISP1 ) \n & .AND. BIAS_CHEMISTRY_SPC( NC,ISP2 ) )\n CASE( 3 )\n ISP1 = IRR( NRX,1 )\n ISP2 = IRR( NRX,2 )\n ISP3 = IRR( NRX,3 )\n THREE_REACTANT_CASE( NC,NR,1 ) = ( BIAS_CHEMISTRY_SPC( NC,ISP1 ) \n & .AND. .NOT. BIAS_CHEMISTRY_SPC( NC,ISP2 ) \n & .AND. .NOT. BIAS_CHEMISTRY_SPC( NC,ISP3 ) )\n THREE_REACTANT_CASE( NC,NR,2 ) = ( .NOT. BIAS_CHEMISTRY_SPC( NC,ISP1 ) \n & .AND. BIAS_CHEMISTRY_SPC( NC,ISP2 ) \n & .AND. .NOT. BIAS_CHEMISTRY_SPC( NC,ISP3 ) )\n THREE_REACTANT_CASE( NC,NR,3 ) = ( .NOT. BIAS_CHEMISTRY_SPC( NC,ISP1 ) \n & .AND. .NOT. BIAS_CHEMISTRY_SPC( NC,ISP2 ) \n & .AND. BIAS_CHEMISTRY_SPC( NC,ISP3 ) )\n THREE_REACTANT_CASE( NC,NR,4 ) = ( BIAS_CHEMISTRY_SPC( NC,ISP1 ) \n & .AND. BIAS_CHEMISTRY_SPC( NC,ISP2 ) \n & .AND. .NOT. BIAS_CHEMISTRY_SPC( NC,ISP3 ) )\n THREE_REACTANT_CASE( NC,NR,5 ) = ( BIAS_CHEMISTRY_SPC( NC,ISP1 ) \n & .AND. .NOT. BIAS_CHEMISTRY_SPC( NC,ISP2 ) \n & .AND. BIAS_CHEMISTRY_SPC( NC,ISP3 ) )\n THREE_REACTANT_CASE( NC,NR,6 ) = ( .NOT. BIAS_CHEMISTRY_SPC( NC,ISP1 ) \n & .AND. BIAS_CHEMISTRY_SPC( NC,ISP2 ) \n & .AND. BIAS_CHEMISTRY_SPC( NC,ISP3 ) )\n THREE_REACTANT_CASE( NC,NR,7 ) = ( .NOT. BIAS_CHEMISTRY_SPC( NC,ISP1 ) \n & .AND. .NOT. BIAS_CHEMISTRY_SPC( NC,ISP2 ) \n & .AND. .NOT. BIAS_CHEMISTRY_SPC( NC,ISP3 ) )\n & .OR. ( BIAS_CHEMISTRY_SPC( NC,ISP1 ) \n & .AND. BIAS_CHEMISTRY_SPC( NC,ISP2 ) \n & .AND. BIAS_CHEMISTRY_SPC( NC,ISP3 ) ) \n END SELECT\n END DO\n END DO\nC...Assume that ISAM_SPECIES is fixed over the domain and simulation \n WHERE ( ISAM_SPECIES ) \n NOT_OUTSIDE_ISAM = 1.0D0\n ELSE WHERE\n NOT_OUTSIDE_ISAM = 0.0D0\n END WHERE \n DO ISP2 = 1, NUMB_MECH_SPC\n IF( .NOT. ISAM_SPECIES( ISP2 ) )THEN \n DO KTAG = 1, NTAG_SA\n NOT_ISAM_SOURCE( KTAG,ISP2 ) = 1.0D0\n END DO\n END IF\n END DO \n END IF ! LFIRST\n UPDATE_PROBABILITIES = .TRUE.\n \n IF( LSTART )THEN\n! UPDATE_SOLD = .FALSE.\n SOURCE_DELTA = 0.0D0\n DO NIRR = 1, NUMB_MECH_SPC \n YCOLD( NIRR ) = CONC( NIRR )\n END DO\n YCMID = YCOLD\n RETURN\n END IF\n \nC...filter bulk concentrations for concentrations used for reaction rates \n WHERE ( CONC .GE. BULK_CUTOFF )\n YCRATES = CONC\n ELSE WHERE\n YCRATES = 0.0D0\n END WHERE \n\nC...check for bad values\n TOTAL_ISAM_CONC = 0.0D0 ! 1.0D-40\n DO ISP2 = 1, NUMB_MECH_SPC\n DO KTAG = 1, NTAG_SA\n TOTAL_ISAM_CONC( ISP2 ) = TOTAL_ISAM_CONC( ISP2 )\n & + SOLD( KTAG,ISP2 )\n IF( SOLD( KTAG,ISP2 ) .LT. 0.0D0 )\n & WRITE(ISAM_LOG,*)TRIM(CHEMISTRY_SPC(ISP2)) // ' bad value = ',SOLD( KTAG,ISP2 )\n END DO\n END DO\nC..compute species fractions from ISAM groups and the remainder group for all mechanism species\n! Note that remainder group (NTAG_SA+1) exists to handle untracked model species \n DO ISP2 = 1, NUMB_MECH_SPC\n IF( ISAM_SPECIES( ISP2 ) )THEN \n ONE_OVER_CONC = 1.0D0 / MAX( TOTAL_ISAM_CONC( ISP2 ), DCONMIN_TAG )\n DO KTAG = 1, NTAG_SA\n ISAM_SOURCE( KTAG,ISP2 ) = SOLD( KTAG,ISP2 )*ONE_OVER_CONC\n NOT_ISAM_SOURCE( KTAG,ISP2 ) = MAX( 0.0D0, 1.0D0-ISAM_SOURCE( KTAG,ISP2 ))\n END DO\n OUTSIDE( ISP2 ) = 0.0D0 \n NOT_OUTSIDE_ISAM( ISP2 ) = 1.0D0\n ELSE\n ONE_OVER_CONC = 1.0D0 / MAX( YCMID( ISP2 ), DCONMIN_TAG )\n DO KTAG = 1, NTAG_SA\n ISAM_SOURCE( KTAG,ISP2 ) = SOLD( KTAG,ISP2 )*ONE_OVER_CONC\n NOT_ISAM_SOURCE( KTAG,ISP2 ) = MAX( 0.0D0, 1.0D0-ISAM_SOURCE( KTAG,ISP2 ))\n END DO\n IF ( TOTAL_ISAM_CONC( ISP2 ) .GT. DCONMIN_TAG ) THEN\n TERM = MAX( (YCMID( ISP2 )-TOTAL_ISAM_CONC( ISP2 )), 0.0D0 )\n ELSE\n TERM = YCMID( ISP2 )\n END IF\n OUTSIDE( ISP2 ) = TERM \n NOT_OUTSIDE_ISAM( ISP2 ) = MAX( 1.0D0 - TERM * ONE_OVER_CONC, 0.0D0 )\n END IF\n DO KTAG = 1, NTAG_SA\n IF( SOLD( KTAG,ISP2 ) .GE. DCONMIN_TAG )THEN\n SOURCE_NONZERO( KTAG,ISP2 ) = .TRUE.\n ELSE\n SOURCE_NONZERO( KTAG,ISP2 ) = .FALSE.\n END IF \n END DO\n END DO \n\nC...Calculate reaction rates and source probabilties\n IF ( ISAM_CHEM_BIAS .EQ. 5 ) THEN\n! for concentrations 0.35 is average of range in \n! Sillman et al. (1998). J. Geophys. Res., 103, 22,62922,644, \n! but Need to add routine that HNO2 and H2O2 production based MECHANISM_BUDGET array \n! \n! determine if net production of ozone takes place\n! IF ( (CONC( O3_INDEX )-YCMID( O3_INDEX )) .GT. 0.0D0 ) THEN \n! Using net change in H2O2 and HNO3 concentrations\n! DELTA_H2O2 = CONC( H2O2_INDEX )-YCMID( H2O2_INDEX )\n! DELTA_HNO3 = CONC( HNO3_INDEX )-YCMID( HNO3_INDEX )\n! IF ( DELTA_H2O2/MAX( 1.0D-30,DELTA_NO3 ) .LT. VOC_NOX_TRANS ) THEN\n! Using H2O2 and HNO3 concentrations\n! IF ( CONC( H2O2_INDEX )/MAX( 1.0D-30,CONC( HNO3_INDEX ) ) .LT. VOC_NOX_TRANS ) THEN\n! Using gross production of H2O2 and HNO3\n\n IF ( PH2O2_OVER_PHNO3( RK,CONC ) .GT. NOX_VOC_SWITCH ) THEN\n! IF ( PH2O2_OVER_PHNO3( RK,CONC ) .GT. REAL( VOC_NOX_TRANS,8 ) ) THEN\n NC = ISAM_NOX_CASE\n ELSE \n NC = ISAM_VOC_CASE\n END IF\n\n! ELSE\n! NC = 3\n! END IF\n IF ( WRITE_CELL ) THEN\n\n WRITE(ISAM_LOG,*)'PH2O2_OVER_PHNO3, NC = ',PH2O2_OVER_PHNO3( RK,CONC ), NC\n\n END IF\n ELSE \n NC = ISAM_CHEM_BIAS\n END IF\n DO NRX = 1, NRXNS\n NR = MAP_REACTANT_CASE( NRX )\n SELECT CASE ( NREACT( NRX ) )\n CASE( 1 )\n ISP1 = IRR( NRX,1 )\n RXRAT( NRX ) = RK( NRX )\n & * YCRATES( ISP1 )\n DO KTAG = 1, NTAG_SA\n SOURCE_PROBABILITY( KTAG,NRX ) = 1.0D0 - NOT_ISAM_SOURCE( KTAG,ISP1 ) \n END DO\n KTAG = NTAG_SA + 1\n SOURCE_PROBABILITY( KTAG,NRX ) = 1.0D0 - NOT_OUTSIDE_ISAM( ISP1 ) \n CASE( 2 ) \n ISP1 = IRR( NRX,1 )\n ISP2 = IRR( NRX,2 )\n RXRAT( NRX ) = RK( NRX )\n & * YCRATES( ISP1 )\n & * YCRATES( ISP2 ) \n IF ( TWO_REACTANT_CASE( NC,NR,1 ) ) THEN\n DO KTAG = 1, NTAG_SA\n SOURCE_PROBABILITY( KTAG,NRX ) = 1.0D0 \n & - NOT_ISAM_SOURCE( KTAG,ISP1 ) \n END DO\n KTAG = NTAG_SA + 1\n SOURCE_PROBABILITY( KTAG,NRX ) = 1.0D0 \n & - NOT_OUTSIDE_ISAM( ISP1 ) \n ELSE IF ( TWO_REACTANT_CASE( NC,NR,2 ) ) THEN\n DO KTAG = 1, NTAG_SA\n SOURCE_PROBABILITY( KTAG,NRX ) = 1.0D0 \n & - NOT_ISAM_SOURCE( KTAG,ISP2 ) \n END DO\n KTAG = NTAG_SA + 1\n SOURCE_PROBABILITY( KTAG,NRX ) = 1.0D0 \n & - NOT_OUTSIDE_ISAM( ISP2 ) \n ELSE IF ( TWO_REACTANT_CASE( NC,NR,3 ) ) THEN\n DO KTAG = 1, NTAG_SA\n SOURCE_PROBABILITY( KTAG,NRX ) = 1.0D0 \n & - NOT_ISAM_SOURCE( KTAG,ISP1 ) \n & * NOT_ISAM_SOURCE( KTAG,ISP2 ) \n END DO\n KTAG = NTAG_SA + 1\n SOURCE_PROBABILITY( KTAG,NRX ) = 1.0D0 \n & - NOT_OUTSIDE_ISAM( ISP1 ) \n & * NOT_OUTSIDE_ISAM( ISP2 ) \n\n END IF\n CASE( 3 )\n ISP1 = IRR( NRX,1 )\n ISP2 = IRR( NRX,2 )\n ISP3 = IRR( NRX,3 )\n RXRAT( NRX ) = RK( NRX )\n & * YCRATES( ISP1 )\n & * YCRATES( ISP2 )\n & * YCRATES( ISP3 ) \n IF ( THREE_REACTANT_CASE( NC,NR,1 ) ) THEN\n DO KTAG = 1, NTAG_SA\n SOURCE_PROBABILITY( KTAG,NRX ) = 1.0D0 \n & - NOT_ISAM_SOURCE( KTAG,ISP1 ) \n END DO\n KTAG = NTAG_SA + 1\n SOURCE_PROBABILITY( KTAG,NRX ) = 1.0D0 \n & - NOT_OUTSIDE_ISAM( ISP1 ) \n ELSE IF ( THREE_REACTANT_CASE( NC,NR,2 ) ) THEN\n DO KTAG = 1, NTAG_SA\n SOURCE_PROBABILITY( KTAG,NRX ) = 1.0D0 \n & - NOT_ISAM_SOURCE( KTAG,ISP2 ) \n END DO\n KTAG = NTAG_SA + 1\n SOURCE_PROBABILITY( KTAG,NRX ) = 1.0D0 \n & - NOT_OUTSIDE_ISAM( ISP2 ) \n ELSE IF ( THREE_REACTANT_CASE( NC,NR,3 ) ) THEN\n DO KTAG = 1, NTAG_SA\n SOURCE_PROBABILITY( KTAG,NRX ) = 1.0D0 \n & - NOT_ISAM_SOURCE( KTAG,ISP3 ) \n END DO\n KTAG = NTAG_SA + 1\n SOURCE_PROBABILITY( KTAG,NRX ) = 1.0D0 \n & - NOT_OUTSIDE_ISAM( ISP3 ) \n ELSE IF ( THREE_REACTANT_CASE( NC,NR,4 ) ) THEN\n DO KTAG = 1, NTAG_SA\n SOURCE_PROBABILITY( KTAG,NRX ) = 1.0D0 \n & - NOT_ISAM_SOURCE( KTAG,ISP1 ) \n & * NOT_ISAM_SOURCE( KTAG,ISP2 ) \n END DO\n KTAG = NTAG_SA + 1\n SOURCE_PROBABILITY( KTAG,NRX ) = 1.0D0 \n & * NOT_OUTSIDE_ISAM( ISP1 ) \n & * NOT_OUTSIDE_ISAM( ISP2 ) \n\n ELSE IF ( THREE_REACTANT_CASE( NC,NR,5 ) ) THEN\n DO KTAG = 1, NTAG_SA\n SOURCE_PROBABILITY( KTAG,NRX ) = 1.0D0 \n & - NOT_ISAM_SOURCE( KTAG,ISP1 ) \n & * NOT_ISAM_SOURCE( KTAG,ISP3 ) \n END DO\n KTAG = NTAG_SA + 1\n SOURCE_PROBABILITY( KTAG,NRX ) = 1.0D0 \n & * NOT_OUTSIDE_ISAM( ISP1 ) \n & * NOT_OUTSIDE_ISAM( ISP3 ) \n ELSE IF ( THREE_REACTANT_CASE( NC,NR,6 ) ) THEN\n DO KTAG = 1, NTAG_SA\n SOURCE_PROBABILITY( KTAG,NRX ) = 1.0D0 \n & - NOT_ISAM_SOURCE( KTAG,ISP2 ) \n & * NOT_ISAM_SOURCE( KTAG,ISP3 ) \n END DO\n KTAG = NTAG_SA + 1\n SOURCE_PROBABILITY( KTAG,NRX ) = 1.0D0 \n & * NOT_OUTSIDE_ISAM( ISP1 ) \n & * NOT_OUTSIDE_ISAM( ISP3 ) \n ELSE IF ( THREE_REACTANT_CASE( NC,NR,7 ) ) THEN\n DO KTAG = 1, NTAG_SA\n SOURCE_PROBABILITY( KTAG,NRX ) = 1.0D0 \n & - NOT_ISAM_SOURCE( KTAG,ISP1 ) \n & * NOT_ISAM_SOURCE( KTAG,ISP2 ) \n & * NOT_ISAM_SOURCE( KTAG,ISP3 ) \n END DO\n KTAG = NTAG_SA + 1\n SOURCE_PROBABILITY( KTAG,NRX ) = 1.0D0 \n & - NOT_OUTSIDE_ISAM( ISP1 ) \n & * NOT_OUTSIDE_ISAM( ISP2 ) \n & * NOT_OUTSIDE_ISAM( ISP3 ) \n END IF\n CASE( 0 ) \n RXRAT( NRX ) = RK( NRX )\n DO KTAG = 1, NTAG_SA\n SOURCE_PROBABILITY( KTAG,NRX ) = 0.0D0 \n END DO\n KTAG = NTAG_SA + 1\n SOURCE_PROBABILITY( KTAG,NRX ) = 1.0D0 \n END SELECT\nC..Normalize sources probabilities for reaction\n ISAM_TOTAL_PROBABILITY = 0.0D0\n DO KTAG = 1, NTAG_SA\n SOURCE_PROBABILITY( KTAG,NRX ) = MAX( SOURCE_PROBABILITY( KTAG,NRX ), 0.0D0 )\n ISAM_PROBABILITY ( KTAG,NRX ) = SOURCE_PROBABILITY( KTAG,NRX )\n ISAM_TOTAL_PROBABILITY = ISAM_TOTAL_PROBABILITY + ISAM_PROBABILITY( KTAG,NRX )\n END DO\n KTAG = NTAG_SA + 1\n SOURCE_PROBABILITY( KTAG,NRX ) = MAX( SOURCE_PROBABILITY( KTAG,NRX ), 0.0D0 )\n TOTAL_PROBABILITY = ISAM_TOTAL_PROBABILITY + SOURCE_PROBABILITY( KTAG,NRX )\n IF( ISAM_TOTAL_PROBABILITY .LE. 1.0D-30 )THEN\n ZERO_ISAM( NRX ) = .TRUE. \n DO KTAG = 1, NTAG_SA\n ISAM_PROBABILITY( KTAG,NRX ) = 0.0D0\n END DO\n! ISAM_PROBABILITY( OTHRTAG,NRX ) = 1.0D0\n ELSE\n ZERO_ISAM( NRX ) = .FALSE.\n ISAM_TOTAL_PROBABILITY = 1.0D0 / ISAM_TOTAL_PROBABILITY\n DO KTAG = 1, NTAG_SA\n ISAM_PROBABILITY( KTAG,NRX ) = ISAM_PROBABILITY( KTAG,NRX )\n & * ISAM_TOTAL_PROBABILITY\n END DO\n END IF \n IF( TOTAL_PROBABILITY .LT. 0.0D0 )THEN\n DO JSPC = 1, ISAM_CHEMISTRY_SPC\n S = ISAM_TO_CHEM( JSPC )\n SPC = ISAM_SPC_MAP( JSPC ) \n WRITE(ISAM_LOG,'(A16,86(1X,ES12.4))')CHEMISTRY_SPC(S),(SOLD( KTAG, S ),KTAG=1,NTAG_SA ),\n & YCOLD( S )\n END DO ! loop jspc\n MSG = 'Fraction Results, note that last column is total isam over total species CONCentration'\n WRITE(ISAM_LOG,'(A)')TRIM(MSG)\n WRITE(ISAM_LOG,'(A16,86(1X,I12))')'Species/Tag #',(KTAG,KTAG=1,NTAG_SA+1)\n DO ISP2 = 1, NUMB_MECH_SPC\n WRITE(ISAM_LOG,'(A16,86(1X,ES12.4))')CHEMISTRY_SPC(ISP2),\n & (1.0D0-NOT_ISAM_SOURCE( KTAG,ISP2 ),KTAG=1,NTAG_SA),1.0D0-NOT_OUTSIDE_ISAM( ISP2 )\n END DO\n\n MSG = 'Unnormalized Source Probabilities, note that last column is for NonISAM CONCentrations'\n WRITE(ISAM_LOG,'(A)')TRIM(MSG)\n WRITE(ISAM_LOG,'(A16,86(1X,I12))')'Reaction/Tag #',(KTAG,KTAG=1,NTAG_SA+1)\n WRITE(ISAM_LOG,'(A16,86(1X,ES12.4))')RXLABEL( NRX ),\n & (SOURCE_PROBABILITY( KTAG,NRX ),KTAG=1,NTAG_SA+1)\n\n MSG = 'TOTAL_PROBABILITY < zero from reaction label: ' \n & // TRIM( RXLABEL( NRX ) )\n CALL M3EXIT ( 'SA_IRR', 0, 0, MSG, XSTAT2 )\n ELSE IF( TOTAL_PROBABILITY .EQ. 0.0D0 )THEN \n TOTAL_PROBABILITY = 1.0D0\n END IF\n TOTAL_PROBABILITY = 1.0D0 / TOTAL_PROBABILITY\n DO KTAG = 1, NTAG_SA + 1\n SOURCE_PROBABILITY( KTAG,NRX ) = SOURCE_PROBABILITY( KTAG,NRX )\n & * TOTAL_PROBABILITY\n END DO\n END DO\n#ifdef verbose_isam\n IF( WRITE_CELL )THEN\n MSG = 'Calculated Source Probabilities, note that last column is for NonISAM concentrations'\n WRITE(ISAM_LOG,'(A)')TRIM(MSG)\n WRITE(ISAM_LOG,'(A16,86(1X,I12))')'Reaction/Tag #',(KTAG,KTAG=1,NTAG_SA+1)\n DO NRX = 1, NRXNS\n WRITE(ISAM_LOG,'(A16,86(1X,ES12.4))')RXLABEL( NRX ),\n & (SOURCE_PROBABILITY( KTAG,NRX ),KTAG=1,NTAG_SA+1)\n END DO\n MSG = 'Caculated ISAM Probabilities, note that last column is their sum'\n WRITE(ISAM_LOG,'(A)')TRIM(MSG)\n WRITE(ISAM_LOG,'(A16,86(1X,I12))')'Reaction/Tag #',(KTAG,KTAG=1,NTAG_SA+1)\n DO NRX = 1, NRXNS\n ISAM_TOTAL_PROBABILITY = SUM( ISAM_PROBABILITY( 1:NTAG_SA,NRX ) )\n WRITE(ISAM_LOG,'(A16,86(1X,ES12.4))')RXLABEL( NRX ),\n & (ISAM_PROBABILITY( KTAG,NRX ),KTAG=1,NTAG_SA),ISAM_TOTAL_PROBABILITY\n END DO\n END IF ! WRITE_CELL \n#endif \n\nC..Compute integrated reaction rates\n DO NRX = 1, NRXNS\n INTRXN( NRX ) = DELT * RXRAT( NRX )\n END DO\n\nc..Compute change in source concentrations for updating source concentrations\n DO JSPC = 1, NUMB_MECH_SPC\n! compute species total production and isam production \n ISAM_PROD = 0.0D0\n TOTAL_PROD = 0.0D0\n SA_DELTA = 0.0D0\n DO NTERM = 1, MECHANISM_BUDGET( JSPC )%NRXNS_PROD\n NRX = MECHANISM_BUDGET( JSPC )%IRXN_PROD( NTERM )\n COEFF = MECHANISM_BUDGET( JSPC )%COEFF_POS( NTERM )\n & * INTRXN( NRX )\n TOTAL_PROD = TOTAL_PROD + COEFF\n IF( .NOT. ZERO_ISAM( NRX ) )THEN\n DO KTAG = 1, NTAG_SA\n TERM = COEFF \n & * MIN( (SOURCE_PROBABILITY( KTAG,NRX ) \n & + SOURCE_PROBABILITY((NTAG_SA+1),NRX )\n & * ISAM_PROBABILITY ( KTAG,NRX )),\n & 1.0D0 )\n ISAM_PROD = ISAM_PROD + TERM\n SA_DELTA( KTAG ) = SA_DELTA( KTAG ) + TERM\n END DO \n END IF\n END DO\n\n IF( ISAM_PROD .GT. TOTAL_PROD )TOTAL_PROD = ISAM_PROD\n IF ( WRITE_CELL ) THEN\n IF ( JSPC .EQ. H2O2_INDEX ) THEN\n H2O2_Production = TOTAL_PROD\n write(isam_log,*)'H2O2 Production = ',TOTAL_PROD\n END IF\n IF ( JSPC .EQ. HNO3_INDEX ) THEN\n HNO3_Production = TOTAL_PROD\n write(isam_log,*)'HNO3 Production = ',TOTAL_PROD\n END IF\n\n END IF\n! compute species loss\n ISAM_LOSS = 0.0D0\n TOTAL_LOSS = 0.0D0\n SA_LOSS = 0.0D0\n DO NTERM = 1, MECHANISM_BUDGET( JSPC )%NRXNS_LOSS\n NRX = MECHANISM_BUDGET( JSPC )%IRXN_LOSS( NTERM )\n COEFF = MECHANISM_BUDGET( JSPC )%COEFF_NEG( NTERM )\n & * INTRXN( NRX )\n TOTAL_LOSS = TOTAL_LOSS + INTRXN( NRX )\n END DO\n NIRR = JSPC\n DELTA_BULK = (CONC( JSPC )-YCMID( JSPC ))\n REMOVED = .FALSE. \n REBALANCE( JSPC ) = .FALSE. \n IF( TOTAL_PROD .GT. 1.0D-30 )THEN\n! estimate net change concentration inside and outside source tags based on total loss\n IF( TOTAL_LOSS .GT. 1.0D-30 )THEN\n! correct outside and isam production/concentration based on the bulk average loss frequency times timestep\n LOSS_FACT = TOTAL_LOSS / CONC( JSPC )\n IF ( LOSS_FACT .LT. 14.0D0 ) THEN ! > one millionth of initial concentration remains\n! IF ( LOSS_FACT .LT. 34.5D0 ) THEN ! > one millionth of initial concentration remains\n REBALANCE( JSPC ) = .TRUE.\n TERM = ( 1.0D0 - EXP( -LOSS_FACT ) )\n COEFF = TERM / LOSS_FACT\n TOTAL_PROD = TOTAL_PROD * COEFF \n DO KTAG = 1, NTAG_SA\n SA_LOSS ( KTAG ) = SOLD( KTAG,JSPC ) * TERM\n SA_DELTA( KTAG ) = SA_DELTA( KTAG ) * COEFF\n SOURCE_DELTA( KTAG,JSPC ) = MAX( SA_DELTA( KTAG ) - SA_LOSS( KTAG ),\n & -SOLD( KTAG,JSPC ) )\n END DO\n ISAM_PROD = SUM( SA_DELTA( 1:NTAG_SA ) )\n! estimate changes in outside concentration based on surplus production \n OUTSIDE( JSPC ) = OUTSIDE( JSPC ) * ( 1.0D0 - TERM )\n & + (TOTAL_PROD-ISAM_PROD) \n OUTSIDE( JSPC ) = MAX( OUTSIDE( JSPC ),0.0D0 ) \n ELSE \n! tag change removes initial value and apportions bulk concentration to the tag based on its relative production\n REMOVED = .TRUE.\n COEFF = CONC( JSPC ) / MAX( TOTAL_PROD,1.0D-30 )\n DO KTAG = 1, NTAG_SA\n SOURCE_DELTA( KTAG,JSPC ) = SA_DELTA( KTAG )*COEFF - SOLD( KTAG,JSPC )\n END DO \n OUTSIDE( JSPC ) = COEFF * MAX( TOTAL_PROD-ISAM_PROD,0.0D0 ) \n END IF \n ELSE\n! simply scale tag changes based their fraction of production\n LOSS_FACT = -1.0D0\n COEFF = DELTA_BULK / MAX( TOTAL_PROD,1.0D-30 )\n DO KTAG = 1, NTAG_SA\n SOURCE_DELTA( KTAG,JSPC ) = SA_DELTA( KTAG ) * COEFF\n END DO\n! estimate changes in outside concentration based on surplus production and loss\n OUTSIDE( JSPC ) = OUTSIDE( JSPC ) \n & + COEFF * MAX( TOTAL_PROD-ISAM_PROD, 0.0D0 )\n END IF \n! add surplus concentration to tags based on whether species is tracked\n IF( ISAM_SPECIES( JSPC ) )THEN\n IF ( ISAM_PROD .GT. 1.0D-30 ) THEN\n! add outside concentration to tag based on their production relative to the isam total\n TERM = 1.0D0 / ISAM_PROD\n DO KTAG = 1, NTAG_SA\n SA_DELTA( KTAG ) = TERM * SA_DELTA( KTAG )\n SOURCE_DELTA( KTAG,JSPC ) = SOURCE_DELTA( KTAG,JSPC )\n & + OUTSIDE( JSPC ) * SA_DELTA( KTAG )\n END DO\n ELSE ! add to other tag\n TERM = 1.0D0\n SOURCE_DELTA( OTHRTAG,JSPC ) = SOURCE_DELTA( OTHRTAG,JSPC )\n & + OUTSIDE( JSPC ) \n END IF \n END IF \n! WRITE( LOGDEV,'(A,6(ES20.10,1X))')'Surplus Changes for ' // CHEMISTRY_SPC( JSPC ) // ' = ',\n! & TOTAL_PROD,TOTAL_LOSS,OUTSIDE( JSPC ),COEFF,SUM( SOURCE_DELTA( :,JSPC ) ),ISAM_LOSS\n#ifdef verbose_isam\n IF( ISAM_SPECIES( JSPC ) )THEN\n IF( REMOVED )DELTA_BULK = CONC( JSPC )\n IF( WRITE_CELL )WRITE(ISAM_LOG,'(2A,30(1X,ES20.10))', ADVANCE = 'NO')MECHANISM_BUDGET( JSPC )%SPECIES_NAME,\n & ' P ',-LOSS_FACT,(SOURCE_DELTA( KTAG,JSPC ),KTAG =1, NTAG_SA), OUTSIDE( JSPC ), TERM, DELTA_BULK \n END IF\n#endif \n IF( ISAM_SPECIES( JSPC ) ) OUTSIDE( JSPC ) = 0.0D0\n ELSE !!!!IF ( DELTA_BULK .LT. 0.0D0 ) THEN\n! scale by relative change in bulk and fraction of species in tag \n LOSS_FACT = MAX( -1.0D0, DELTA_BULK / MAX( YCMID( JSPC ),DCONMIN_TAG ) ) \n DO KTAG = 1, NTAG_SA\n SOURCE_DELTA( KTAG,JSPC ) = SOURCE_DELTA( KTAG, JSPC )\n & + SOLD( KTAG,JSPC ) * LOSS_FACT\n END DO\n! have to add lines for outside change?\n#ifdef verbose_isam\n IF( ISAM_SPECIES( JSPC ) )THEN\n IF( WRITE_CELL )WRITE(ISAM_LOG,'(2A,30(1X,ES20.10))',ADVANCE = 'NO')MECHANISM_BUDGET( JSPC )%SPECIES_NAME,\n & ' L ',-LOSS_FACT,(SOURCE_DELTA( KTAG,JSPC ),KTAG =1, NTAG_SA),OUTSIDE( JSPC ),COEFF,\n & DELTA_BULK \n END IF\n#endif \n END IF\n!\n#ifdef verbose_isam\n IF( ISAM_SPECIES( JSPC ) )THEN\n TOTAL = SUM( SOURCE_DELTA( 1:NTAG_SA,JSPC ))\n IF( WRITE_CELL )WRITE(ISAM_LOG,'(A,ES12.4,A,ES12.4)')\n & ' Net ISAM Change ', TOTAL,': Change ISAM-BULK ',( TOTAL-DELTA_BULK )\n END IF\n#endif\n DO KTAG = 1, NTAG_SA\n IF( SOURCE_DELTA( KTAG, JSPC ) .LT. -SOLD( KTAG, JSPC ) )THEN\n SOURCE_DELTA( KTAG, JSPC ) = -SOLD( KTAG, JSPC )\n END IF \n END DO \n END DO\n\n IF ( WRITE_CELL ) THEN \n write(isam_log,'(A,2(ES12.4,1X))')\n & 'H2O2_Production/HNO3_Production, PH2O2_OVER_PHNO3 = ',\n & H2O2_Production/max(HNO3_Production,1.0d-30) ,PH2O2_OVER_PHNO3( RK,CONC )\n END IF\n\nC...update SOLD using SOURCE_DELTA \n DO JSPC = 1,NUMB_MECH_SPC\n NIRR = JSPC \n DO KTAG = 1, NTAG_SA\n SOLD( KTAG, JSPC ) = SOLD( KTAG, JSPC ) + SOURCE_DELTA( KTAG, JSPC )\n IF( SOLD( KTAG,JSPC ) .LT. DCONMIN_TAG )SOLD( KTAG,JSPC ) = 0.0D0\n END DO \n IF( REBALANCE( JSPC ) )THEN \n! adjust tags based on final bulk concentration\n TERM = MAX( OUTSIDE( JSPC ) + SUM( SOLD(1:NTAG_SA,JSPC) ), DCONMIN_TAG ) \n COEFF = CONC( JSPC ) / TERM \n DO KTAG = 1, NTAG_SA\n SOLD( KTAG,JSPC ) = COEFF * SOLD( KTAG,JSPC )\n IF( SOLD( KTAG,JSPC ) .LT. DCONMIN_TAG )SOLD( KTAG,JSPC ) = 0.0D0\n END DO\n OUTSIDE( JSPC ) = COEFF * OUTSIDE ( JSPC )\n END IF\n! set tags to conmin if initially nonzero\n IF( MAXVAL( SOLD( 1:NTAG_SA,JSPC ) ) .LT. DCONMIN_TAG )THEN\n DO KTAG = 1, NTAG_SA\n IF( SOURCE_NONZERO( KTAG,JSPC ) )SOLD( KTAG,JSPC ) = DCONMIN_TAG\n END DO\n! zero out ICON tag\n! SOLD( NTAG_SA,JSPC ) = 0.0D0\n END IF \n END DO\n\n#ifdef verbose_isam\n IF( WRITE_CELL )THEN\n WRITE(ISAM_LOG,'(A)')'Source Delta Concentration include extra delta then last two columns, Solver Change and Sum Deltas'\n WRITE(ISAM_LOG,'(A16,86(1X,I12))')'Species/Tag #',(KTAG,KTAG=1,NTAG_SA),0,NTAG_SA+1\n! DO S = 1, NUMB_MECH_SPC \n DO JSPC = 1, ISAM_CHEMISTRY_SPC\n S = ISAM_TO_CHEM( JSPC )\n WRITE(ISAM_LOG,'(A16,86(1X,ES12.4))')CHEMISTRY_SPC(S),(SOURCE_DELTA( KTAG, JSPC ),KTAG=1,NTAG_SA ),\n & (CONC( S )-YCMID( S )),SUM(SOURCE_DELTA( 1:(NTAG_SA), JSPC ))\n END DO\n WRITE(ISAM_LOG,*)' '\n WRITE(ISAM_LOG,'(A21,5(1X,A12))')'ISAM_CHEMISTRY_SPC,',' IRR Conc, ',' True Conc, correction ',\n & ' IRR Change, ',' True Change ',' Difference '\n! DO NIRR = 1, NUMB_MECH_SPC \n DO JSPC = 1, ISAM_CHEMISTRY_SPC\n NIRR = ISAM_TO_CHEM( JSPC )\n COEFF = 0.0D0\n TERM = 0.0D0\n DO KTAG = 1, NTAG_SA\n! SOLD( KTAG, NIRR ) = MAX( SOLD( KTAG, NIRR ) + SOURCE_DELTA( KTAG, JSPC ), 0.0D0 )\n TERM = TERM + SOLD( KTAG, NIRR )\n COEFF = COEFF + SOURCE_DELTA( KTAG, JSPC )\n END DO\n DELTA_BULK = CONC( NIRR )- YCMID( NIRR ) \n WRITE(ISAM_LOG,'(A21,5(1X,\",\",ES12.4))')'ISAM_' // CHEMISTRY_SPC(NIRR),\n & MAX(0.0D0,TERM),CONC( NIRR ),COEFF,DELTA_BULK,(DELTA_BULK-COEFF)\n END DO\n END IF\n#endif\n\n DO NIRR = 1, NUMB_MECH_SPC \n YCMID( NIRR ) = CONC( NIRR )\n END DO\n \nC..Clear source deltas\n SOURCE_DELTA = 0.0D0\nC..Save concentrations\n DO NIRR = 1, NUMB_MECH_SPC \n YCOLD( NIRR ) = CONC( NIRR )\n END DO\n#ifdef verbose_isam\n IF( WRITE_CELL )THEN\n WRITE(ISAM_LOG,'(A,I7,1X,I6.6,1X,I3)')'At Date, Time, Nstep = ',ISAM_JDATE,ISAM_JTIME,ISAM_NSTEP\n WRITE(ISAM_LOG,*)'Final Source Concentration then New Total (Last Column) Concentrations'\n WRITE(ISAM_LOG,'(A16,86(1X,I12))')'Species/Tag #',(KTAG,KTAG=1,NTAG_SA),0,NTAG_SA+1\n! DO S = 1, NUMB_MECH_SPC \n DO JSPC = 1, ISAM_CHEMISTRY_SPC\n S = ISAM_TO_CHEM( JSPC )\n WRITE(ISAM_LOG,'(A16,86(1X,ES12.4))')CHEMISTRY_SPC(S),(SOLD( KTAG, S ),KTAG=1,NTAG_SA ),\n & CONC( S ),SUM(SOLD(1:NTAG_SA,S) )\n END DO\n END IF\n#endif \n \n\n RETURN\n END SUBROUTINE SA_IRR_UNBLOCKED\n REAL( 8 ) FUNCTION PH2O2_OVER_PHNO3( RKI,CONC )\n \n USE UTILIO_DEFN\n USE RXNS_DATA ! chemical mechanism data\n\n IMPLICIT NONE \n\nC..Includes: None\n \nC..Arguments: \n REAL( 8 ), INTENT( IN ) :: RKI ( : ) ! Reaction rate coefficients\n REAL( 8 ), INTENT( IN ) :: CONC ( : ) ! species concentrations\n\nC..Parameters: None\n\nC..Local\n INTEGER :: IRXN, ISTART, ISTOP\n INTEGER :: NRX\n INTEGER :: IOS\n INTEGER :: ISP1, ISP2, ISP3\n\n INTEGER, SAVE :: NRXNS_PROD_H2O2_HNO3 = 0\n\n REAL( 8 ) :: PROD_H2O2\n REAL( 8 ) :: PROD_HNO3\n \n LOGICAL, SAVE :: FIRSTCALL = .TRUE.\n LOGICAL, SAVE :: NO_SPECIES_PROD = .FALSE.\n \n REAL( 8 ), ALLOCATABLE, SAVE :: RXRAT( : )\n\n CHARACTER( 132 ) :: MSG\n IF ( FIRSTCALL ) THEN \n \n IF ( NRXNS_PROD_HNO3 .LT. 1 .OR. NRXNS_PROD_H2O2 .LT. 1 ) THEN\n NO_SPECIES_PROD = .TRUE.\n ELSE \n NRXNS_PROD_H2O2_HNO3 = NRXNS_PROD_HNO3 + NRXNS_PROD_H2O2\n ALLOCATE( RXRAT( NRXNS_PROD_H2O2_HNO3 ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating RXRAT arrays'\n CALL M3EXIT( ' PH2O2_OVER_PHNO3', 0, 0, MSG, XSTAT1 )\n END IF \n END IF\n \n FIRSTCALL = .FALSE.\n END IF\n\n IF ( NO_SPECIES_PROD ) THEN\n PH2O2_OVER_PHNO3 = CONC( H2O2_INDEX ) / MAX( 1.0D-30,CONC( HNO3_INDEX ))\n RETURN\n END IF\n \n DO IRXN = 1, NRXNS_PROD_H2O2_HNO3\n NRX = H2O2_HNO3_PROD_RXNS( IRXN )\n SELECT CASE ( NREACT( NRX ) )\n CASE( 1 )\n ISP1 = IRR( NRX,1 )\n RXRAT(IRXN ) = RKI( NRX )\n & * CONC( ISP1 )\n CASE( 2 ) \n ISP1 = IRR( NRX,1 )\n ISP2 = IRR( NRX,2 )\n RXRAT( IRXN ) = RKI( NRX )\n & * CONC( ISP1 )\n & * CONC( ISP2 ) \n CASE( 3 )\n ISP1 = IRR( NRX,1 )\n ISP2 = IRR( NRX,2 )\n ISP3 = IRR( NRX,3 )\n RXRAT( IRXN ) = RKI( NRX )\n & * CONC( ISP1 )\n & * CONC( ISP2 )\n & * CONC( ISP3 ) \n CASE( 0 ) \n RXRAT( IRXN ) = RKI( NRX )\n END SELECT\n END DO\n\n! Compute hydrogen peroxide production\n PROD_H2O2 = 0.0D0\n ISTART = 1\n ISTOP = NRXNS_PROD_H2O2\n DO IRXN = ISTART, ISTOP\n PROD_H2O2 = PROD_H2O2\n & + H2O2_HNO3_YIELD( IRXN ) * RXRAT( IRXN )\n END DO\n\n! Compute hydrogen peroxide production\n PROD_HNO3 = 0.0D0\n ISTART = ISTOP + 1\n ISTOP = NRXNS_PROD_H2O2_HNO3\n DO IRXN = ISTART, ISTOP\n PROD_HNO3 = PROD_HNO3\n & + H2O2_HNO3_YIELD( IRXN ) * RXRAT( IRXN )\n END DO\n \n PH2O2_OVER_PHNO3 = PROD_H2O2 / MAX( 1.0D-30,PROD_HNO3 )\n \n END FUNCTION PH2O2_OVER_PHNO3\n END MODULE SA_IRR_DEFN\n" }, { "path": "CCTM/src/isam/SA_WRAP_AE.F", "content": "\n SUBROUTINE SA_WRAP_AE( CGRID0, CGRID, JDATE, JTIME, TSTEP )\n\n!*************************************************************\n!20140428 As a wrapper to apportion the tags with bulk conc after AERO process\n!\n! Called by sciproc.F\n\n! Revision History:\n!\n! 13 May 19 David Wong: Implemented centralized I/O approach\n!*************************************************************\n USE GRID_CONF\n USE CGRID_SPCS\n USE SA_DEFN\n USE UTILIO_DEFN\n USE AERO_BUDGET\n USE AERO_DATA, ONLY : AERO_MISSING, AEROSPC_MAP, N_MODE,\n & N_AEROSPC, AEROSPC, AEROSPC_MWINV,\n & AEROSPC_MW\n USE CENTRALIZED_IO_MODULE, only : interpolate_var\n\n IMPLICIT NONE\n\n INCLUDE SUBST_FILES_ID\n INCLUDE SUBST_CONST\n\n! Arguments\n REAL, POINTER :: CGRID( :,:,:,: )\n REAL :: CGRID0( :,:,:,: )\n INTEGER, INTENT( IN ) :: JDATE\n INTEGER, INTENT( IN ) :: JTIME\n INTEGER, INTENT( IN ) :: TSTEP( 3 )\n\n! Scratch\n CHARACTER( 16 ), SAVE :: PNAME = 'SA_WRAP_AE'\n REAL(8), ALLOCATABLE, SAVE :: BULK0( :,:,:,: )\n REAL(8), ALLOCATABLE, SAVE :: CCOND( :,:,:,: )\n\n! for interpx\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n REAL DENS ( NCOLS,NROWS,NLAYS )\n INTEGER MDATE, MTIME, MSTEP\n CHARACTER( 96 ) :: XMSG = ' '\n\n! ppm2mole conversion\n REAL(8) ppm2mole( NCOLS,NROWS,NLAYS )\n\n! Identify ISAM species indices 20130529\n INTEGER :: ISA1, ISA2, ICG1, ICG2, IAER, IM, K, C, R, L\n INTEGER :: JGAS, CGAS, JCTR, CCTR, JAER( N_MODE ), CAER( N_MODE )\n LOGICAL :: OMH2O\n\n! Arrays for combined ammonium, combined nitrates, and combined sulfates\n\n REAL(8), ALLOCATABLE, SAVE :: SPEC_BULK0(:,:,:)\n REAL(8), ALLOCATABLE, SAVE :: TAG_FRAC(:,:,:)\n REAL(8), ALLOCATABLE, SAVE :: TAG_FRAC2(:,:,:)\n REAL(8), ALLOCATABLE, SAVE :: BULK1(:,:,:)\n REAL(8), ALLOCATABLE, SAVE :: BULK_TRANS_SRC(:,:,:)\n\n REAL(8), ALLOCATABLE, SAVE :: ISAM0(:,:,:,:,:)\n REAL(8), ALLOCATABLE, SAVE :: ISAM1(:,:,:,:,:)\n\n LOGICAL, ALLOCATABLE, SAVE :: L_MASK_AERO( : ), L_MASK_OM( : )\n CHARACTER( 3 ), ALLOCATABLE, SAVE :: L_MASK_TYPE( : )\n INTEGER, ALLOCATABLE, SAVE :: L_MASK_IM( : )\n\n REAL(8), PARAMETER :: MIN_VAL = 1.0E-25\n REAL(8), SAVE :: MIN_TAGTOT \n\n INTEGER ALLOCSTAT\n!-------------------------------------------------------------------\n\n\nCkrt Identify species index in ISAM array\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n\n MIN_TAGTOT = MIN_VAL * NTAG_SA\n \n ALLOCATE( \n & CCOND( NCOLS,NROWS,NLAYS,NSPCSD ),\n & SPEC_BULK0( NCOLS,NROWS,NLAYS ),\n & BULK0( NCOLS,NROWS,NLAYS,NSPC_SA ),\n & BULK1( NCOLS,NROWS,NLAYS ),\n & BULK_TRANS_SRC( NCOLS,NROWS,NLAYS ),\n & TAG_FRAC( NCOLS,NROWS,NLAYS ),\n & TAG_FRAC2( NCOLS,NROWS,NLAYS ),\n & ISAM0( NCOLS,NROWS,NLAYS,NSPC_SA,NTAG_SA ),\n & ISAM1( NCOLS,NROWS,NLAYS,NSPC_SA,NTAG_SA ),\n & STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating CCOND, SPEC_BULK0, '\n & //'BULK0, BULK1, BULK_TRANS_SRC, TAG_FRAC, '\n & //'ISAM0, or ISAM1.'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n ! Store Masks for Aerosol features in vectors of length NSPC_SA\n ALLOCATE( L_MASK_AERO( NSPC_SA ), L_MASK_TYPE( NSPC_SA ), \n & L_MASK_OM( NSPC_SA ) , L_MASK_IM( NSPC_SA ) )\n L_MASK_AERO = .FALSE.\n L_MASK_TYPE = ''\n L_MASK_OM = .FALSE.\n L_MASK_IM = 0\n DO IAER = 1,N_AEROSPC\n JAER( : ) = MAP_AEROtoSA( IAER,: ) \n DO IM = 1,N_MODE\n IF ( JAER(IM) .NE. 0 ) THEN \n L_MASK_AERO( JAER(IM) ) = .TRUE.\n L_MASK_TYPE( JAER(IM) ) = AEROSPC( IAER )%VOLTYPE\n L_MASK_OM ( JAER(IM) ) = AEROSPC( IAER )%OM\n L_MASK_IM ( JAER(IM) ) = IM\n END IF\n END DO\n END DO \n\n ENDIF ! firstime ?\n\n ! Extract Density for gas conversion to umol/m3\n MDATE = JDATE\n MTIME = JTIME\n MSTEP = TIME2SEC( TSTEP( 2 ) )\n CALL NEXTIME ( MDATE, MTIME, SEC2TIME( MSTEP/2 ) )\n\n ! Get Air Density in kg/m3\n call interpolate_var ('DENS', MDATE, MTIME, DENS)\n\n ! Conversion factor to move gases from ppmv to umol/m3\n ppm2mole( :,:,: ) = DBLE( MAX( DENS( :,:,: ) * 1000. / MWAIR, 1e-10 ) )\n \n ! Sum up pre-process tags for each species at each grid cell\n ISAM0(:,:,:,:,:) = MAX( DBLE( ISAM(:,:,:,:,:) ), MIN_VAL )\n ISAM1(:,:,:,:,:) = ISAM0(:,:,:,:,:)\n BULK0( :,:,:,: ) = SUM( ISAM0( :,:,:,:,: ),5 )\n\n CCOND = DBLE( CGRID0 + AERO_COND + AERO_NPF )\n\n \n !------------------------!\n !>>>>> CONDENSATION <<<<>>>> COAGULATION <<<< 0?\n ENDDO ! jspc\n ENDDO ! itag\n\nCkrt Set nvars3d for SA_CONC_1 or SA_CGRID_1 file\n NVARS3D = N_SPCTAG\n\nCkrt Set vname3d for SA_CONC_1 file\n JSPCTAG = 0\n! write (logdev, *) NSPC_SA, NTAG_SA\n\n DO ITAG = 1, NTAG_SA\n DO JSPC = 1, NSPC_SA\n JSPCTAG = JSPCTAG + 1\n VTYPE3D( JSPCTAG ) = M3REAL\n VNAME3D( JSPCTAG ) = VNAME(JSPC,ITAG)\n IF( IS_SPC_AEROSOL( JSPC,ITAG ) )THEN \n UNITS3D( JSPCTAG ) = \"micrograms/m**3 \"\n ELSE \n UNITS3D( JSPCTAG ) = \"ppmV \"\n END IF\n VDESC3D( JSPCTAG ) = \"tracer conc.\"\n S_SPCTAG ( JSPCTAG ) = JSPC\n T_SPCTAG ( JSPCTAG ) = ITAG\n VNAM_SPCTAG ( JSPCTAG ) = VNAME(JSPC,ITAG)\n! WRITE(LOGDEV,'(I4,2(1X,I3),2(1X,A16),2(1X,I3))')\n! & JSPCTAG,JSPC,ITAG, \n! & VNAME3D( JSPCTAG ), UNITS3D( JSPCTAG ),\n! & S_SPCTAG( JSPCTAG ), T_SPCTAG( JSPCTAG )\n END DO\n END DO\n\n SDATE3D = JDATE\n STIME3D = JTIME\n\n FTYPE3D = GRDDED3\ncyqw TSTEP3D = TSTEP(1)\n TSTEP3D = TSTEP ( 1 ) * NSTEPS\n \n NCOLS3D = GL_NCOLS\n NROWS3D = GL_NROWS\n NLAYS3D = SA_NLAYS\n NTHIK3D = 1\n GDTYP3D = GDTYP_GD\n P_ALP3D = P_ALP_GD\n P_BET3D = P_BET_GD \n P_GAM3D = P_GAM_GD\n XORIG3D = XORIG_GD\n YORIG3D = YORIG_GD\n XCENT3D = XCENT_GD\n YCENT3D = YCENT_GD\n XCELL3D = XCELL_GD\n YCELL3D = YCELL_GD\n VGTYP3D = VGTYP_GD\n VGTOP3D = VGTOP_GD\n\n\n K = 0\n DO L = ISAM_BLEV, ISAM_ELEV\n K = 1 + K\n VGLVS3D( K ) = VGLVS_GD( L )\n END DO\n\n! GDNAM3D = GDNAME_GD\n GDNAM3D = GRID_NAME ! from HGRD_DEFN\n\n FDESC3D( 1 ) = 'SA_CONC_1 stores contributing srcs '\n DO L = 2, MXDESC3\n FDESC3D( L ) = ' '\n END DO\n \n \n IF ( MYPE .EQ. 0 ) THEN\n! CALL M3EXIT( 'OP_SA', 0, 0, 'Fatal Error Encountered', XSTAT2 )\n IF ( .NOT. OPEN3( FILE_NAME, FSNEW3, PNAME ) ) THEN\n XMSG = 'Could not create '// FILE_NAME // ' file'\n CALL M3EXIT ( PNAME, SDATE3D, STIME3D, XMSG, XSTAT1 )\n END IF\n END IF\n\nCkrt...Write initial conditions to sa_conc_1 ( or last hour sa_cgrid_1 )\n ALLOCATE ( ISAM_BUFF( NCOLS, NROWS, SA_NLAYS, N_SPCTAG ), \n & STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating ISAM_BUFF'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n ENDIF\n ISAM_BUFF = 0.0\nC\n ! print *, S, N_SPCTAG,ISAM_BLEV, ISAM_ELEV\n DO S = 1, N_SPCTAG\n K = 0\n DO L = ISAM_BLEV, ISAM_ELEV\n K = K + 1\n ISAM_BUFF( :,:,K,S ) = ISAM( :,:,L,S_SPCTAG(S),T_SPCTAG(S) )\n ENDDO\n END DO ! loop over total tags\n IF ( .NOT. WRITE3( FILE_NAME, ALLVAR3, JDATE, JTIME, \n & ISAM_BUFF ) ) THEN\n XMSG = 'Could not write to '\n & // FILE_NAME\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n if ( MYPE .eq. 0 ) then\n !print*,'Finished write3 S =',S\n !print*,'While N_SPCTAG =',N_SPCTAG\n endif\n DEALLOCATE( ISAM_BUFF )\n\n \nc.....couple ISAM after writing\n\n return\n end\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc\nc this subroutine must be implemented to overcome Character*1 X 16\nc to Character*16 conversion.\nc new varname will be created by this way.\nc\nc by bo wang\nc\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n subroutine wr_varname(input, length, ntag_tssa, nspc_tssa, \n & src_name, varname)\n \nc ...argument\n integer length\n character*1 :: input(length)\n integer ntag_tssa, nspc_tssa\n character*16 src_name\n character*16 varname\n\nc ...local variable\n integer i\n CHARACTER*7 CHAR1\nCkrt CHARACTER(len=16-length) :: CHAR1\n character(len=length) output\n character*16 temp\n\nc ...external function\n integer len_trim\n \nc.....................................................................\n \n do i = 1, length\n output(i:i) = input(i)\n end do\n\n temp = src_name\n\n!0711 do i = 1, 7\n do i = 1, min( 7, 16-length-1 )\n char1(i:i) = temp(i:i)\n end do\n \n VARNAME = output // '_' // char1\n\n end\n" }, { "path": "CCTM/src/isam/sa_array_init.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE SA_ARRAY_INIT(CGRID )\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc20140428 If cold start, write ICON values to ISAM; otherwise,\nc write to ISAM those ISAM values from last hour of previous day\nc Called by initscen.F\nc\nC 01 Nov 2018: S.Napelenok Updates for cmaq5.3 release \nC 09 May 2019: D.Wong Removed all MY_ clauses\nC 13 May 2019: D.Wong Moved environment variable ISAM_NEW_START to RUNTIME_VARS\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n\n USE GRID_CONF\n USE UTILIO_DEFN ! replaces ioparms, iofdesc, iodecl\n USE CGRID_SPCS ! covers all kinds of species mapping\n USE SA_DEFN ! Mc06\n USE RUNTIME_VARS, only : ISAM_NEW_START\n \n#ifdef parallel\n USE SE_MODULES ! stenex (using SE_UTIL_MODULE)\n#else\n USE NOOP_MODULES ! stenex (using NOOP_UTIL_MODULE)\n#endif\n\n\n implicit none\n \n INCLUDE SUBST_FILES_ID ! file name parameters\n\nc.....arguments\n\n REAL, POINTER :: CGRID( :,:,:,: ) ! for initial CONC\n\nc.....local variables\n\n INTEGER C, R, L, S, K ! loop index\n INTEGER N, NSPC, JVOC ! 20140123\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc program entry\nc.........................................................\nc.....update isam array according to isam ICON source tag\n\n\n IF( ISAM_NEW_START == 'Y') THEN\n !.....map N_SPC_ADV to the user-query species\n DO S = 1, NSPC_SA\n\n N = MAP_SAtoCGR( S )\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n ISAM(C,R,L,S,ICONTAG) = CGRID(C,R,L,N)\n END DO ! R\n END DO ! C\n END DO ! L\n END DO ! S\n ELSE\n ! Initialize ISAM array by isam output from previous day\n CALL CREATE_ICON( )\n\n END IF\n\n return\n\n end\n\nC=======================================================================\n\n SUBROUTINE CREATE_ICON( )\n \nC**********************************************************************\nC\nC FUNCTION: [1] read in a ISAM IOAPI output file\nC [2] Load the last step's ISAM data into ISAM buffer array \nC\nC\nC**********************************************************************\n\n USE GRID_CONF\n USE UTILIO_DEFN ! replaces ioparms, iofdesc, iodecl\n USE SA_DEFN ! Mc06\n USE RUNTIME_VARS\n \n IMPLICIT NONE \n\n \nC.....argument:\n\nc.....local variables:\n \n CHARACTER( 16 ), PARAMETER :: PNAME = 'create_icon'\n CHARACTER( 16 ), PARAMETER :: INNAME = 'ISAM_PREVDAY'\n \n \n INTEGER :: JDATE ! current model date, coded YYYYDDD\n INTEGER :: JTIME ! midpoint model time, coded HHMMSS\n\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n INTEGER :: GXOFF, GYOFF ! global origin offset from file\n INTEGER, SAVE :: STARTCOL, ENDCOL, STARTROW, ENDROW\n\n INTEGER :: LOGENV\n INTEGER :: C,R,L,S,K,I\n\n INTEGER :: IBGN, JSPCTAG, NSPCTAG\n \n CHARACTER( 16 ) :: SPCNAME1( NSPC_SA ) \n CHARACTER( 16 ) :: NAME_TAG\n CHARACTER( 99 ) :: XMSG\n \n LOGICAL :: EFLAG = .FALSE.\n \n REAL, ALLOCATABLE :: TEMP( :,:,: ) \n\nC**********************************************************************\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n LOGENV = INIT3()\nC Get domain decomp info from the emissions file\n CALL SUBHFILE ( INNAME, GXOFF, GYOFF,\n & STARTCOL, ENDCOL, STARTROW, ENDROW )\n END IF ! FIRSTIME\n \n EFLAG = .FALSE.\n \n IF ( .NOT. OPEN3( INNAME, FSREAD3, PNAME) )THEN \n WRITE(LOGDEV, *) 'Error: open file failed', INNAME\n CALL M3EXIT( 'READ_ISAM_ICON', 0, 0, 'Above Fatal Error Encountered', XSTAT2 )\n ENDIF \n \n \n IF ( .NOT. DESC3( INNAME ) ) THEN\n WRITE(LOGDEV, *) 'Error: read', INNAME, 'failed'\n CALL M3EXIT( 'READ_ISAM_ICON', 0, 0, 'Above Fatal Error Encountered', XSTAT2 )\n ENDIF \n\ncyqwang...begin Get The last step data\n\n DO I = 1, MXREC3D-1\n CALL NEXTIME( SDATE3D, STIME3D, TSTEP3D )\n END DO\n\ncyqwang...end\n \n JDATE = SDATE3D\n JTIME = STIME3D\n NSPCTAG = NVARS3D\n\nCkrt....assign ISAM_SPEC( nspc_sa, ntag_sa ) to spcname1( nspc_sa )\n DO S = 1, NSPC_SA\n SPCNAME1( S ) = ISAM_SPEC( S, NTAG_SA )\n ENDDO ! s\n\nCkrt allocate data-loading array \n ALLOCATE( TEMP( NCOLS, NROWS, NLAYS3D ) )\n TEMP = 0.0\n \n DO JSPCTAG = 1, NSPCTAG\n !KRT: extract sa_conc_1 from previous day\n IF ( .NOT. XTRACT3( INNAME, VNAME3D( JSPCTAG ), \n & 1, NLAYS3D, STARTROW, ENDROW, STARTCOL, ENDCOL,\n & JDATE, JTIME, TEMP ) ) THEN\n XMSG = 'Read failure: file ' // INNAME // \n & ' variable ' // VNAME3D( JSPCTAG ) //\n & ' end of file...'\n WRITE(LOGDEV,*) PNAME, JDATE, JTIME,\n & TRIM( XMSG )\n CALL M3EXIT( 'READ_ISAM_ICON', 0, 0, 'Above Fatal Error Encountered', XSTAT2 ) \n END IF\n !KRT: identify isam indices from input species names\n IBGN = INDEX( VNAME3D( JSPCTAG ),'_', BACK = .TRUE. )\n S = INDEX1( VNAME3D( JSPCTAG )( 1:IBGN-1 ),NSPC_SA,SPCNAME1 )\n K = INDEX1( VNAME3D( JSPCTAG )( IBGN+1:LEN_TRIM(VNAME3D(JSPCTAG))),\n & NTAG_SA, TAGNAME )\n NAME_TAG = VNAME3D(JSPCTAG)(IBGN+1:LEN_TRIM(VNAME3D(JSPCTAG)))\n IF ( S .GT. 0 ) THEN\n IF ( K .GT. 0 ) THEN\n DO C = 1, NCOLS\n DO R = 1, NROWS\n DO L = 1, NLAYS3D\n ISAM( C,R,L,S,K ) = TEMP( C,R,L )\n END DO\n END DO\n END DO\n ELSE ! bcon, othr, or icon tags \n CK_SUFFX: SELECT CASE ( NAME_TAG )\n CASE ( 'BCON', 'BCO' )\n K = NTAG_SA - 2\n CASE ( 'OTHR', 'OTH' )\n K = NTAG_SA - 1\n CASE ( 'ICON', 'ICO' )\n K = NTAG_SA\n END SELECT CK_SUFFX\n IF ( K .LE. 0 ) THEN\n WRITE(LOGDEV,*)'ISAM ICON Species ', TRIM( VNAME3D(JSPCTAG) ), ' has bad tagname set to ',\n & TRIM( NAME_TAG ) \n EFLAG = .TRUE. \n ELSE\n DO L = 1, NLAYS3D\n DO R = 1, NROWS\n DO C = 1, NCOLS\n ISAM( C,R,L,S,K ) = TEMP( C,R,L )\n END DO\n END DO\n END DO\n END IF\n ENDIF ! emission tags\n ENDIF ! species exist in tags\n END DO ! jspctag\n\n IF ( EFLAG ) THEN\n CALL M3EXIT( 'READ_ISAM_ICON', 0, 0, 'Above Fatal Error Encountered', XSTAT2 )\n END IF\n \n DEALLOCATE(TEMP)\n\n If ( .NOT. CLOSE3( INNAME ) ) Then\n WRITE ( *,* )\n & '>>--> ISAM PREVDAY output not closed properly <--<<'\n End if\n RETURN\n \n END\n \n" }, { "path": "CCTM/src/isam/sa_dim.F", "content": " \n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE SA_DIM \n\nC KWOK: Determine dimensions of tagging array based on user-supplied sa_io_list\nC KWOK: Created Oct 20, 2010\nC\nC20140428 Called by driver.F\nC\n\n USE UTILIO_DEFN\n USE SA_DEFN\n USE DESID_VARS, ONLY: DESID_N_SRM\n\n IMPLICIT NONE\n\n CHARACTER( 16 ) :: PNAME = 'SA_DIM'\n\n INTEGER IOST\n\n INTEGER NTAGS\n\nC----------------------------------------------\n\nC...Count the number of tags specified by user\n CALL CNT_SA_IO_LIST( NTAGS )\n\nC...Reading in the tag information\n ALLOCATE ( TAGNAME( NTAGS + 4 ), STAT = IOST )\n CALL CHECKMEM( IOST, 'TAGNAME', PNAME )\n TAGNAME = \"NOT\"\n\n ALLOCATE ( TAGSTREAMS_TEMP( NTAGS ), STAT = IOST )\n CALL CHECKMEM( IOST, 'TAGSTREAMS_TEMP', PNAME )\n TAGSTREAMS_TEMP = ''\n\n ALLOCATE ( TAGSTREAMS_NUM( NTAGS ) )\n TAGSTREAMS_NUM = 0\n\n ALLOCATE ( ISAMRGN_TEMP( NTAGS ), STAT = IOST )\n CALL CHECKMEM( IOST, 'ISAMRGN_TEMP', PNAME )\n\n ALLOCATE ( ISAMRGN_NUM( NTAGS ), STAT = IOST )\n CALL CHECKMEM( IOST, 'ISAMRGN_NUM', PNAME )\n ISAMRGN_NUM = 0\n\nC...Process tag infromation from control file\n CALL RD_SA_IO_LIST( NTAGS )\n\nC...Assign Tag Indices To ICON, BCON, OTHER *in that order*\n BCONTAG = NTAGS + 1\n OTHRTAG = BCONTAG + 1\n ICONTAG = OTHRTAG + 1\n NTAG_SA = ICONTAG\n\n TAGNAME( BCONTAG ) = \"BCO\"\n TAGNAME( OTHRTAG ) = \"OTH\"\n TAGNAME( ICONTAG ) = \"ICO\"\n\n CALL GET_NSPC_SA \n\n N_SPCTAG = NSPC_SA * NTAG_SA\n\n CALL GET_MAP_SAtoCGR ()\n\n ! Allocate arrays of species indices, tagging indices, and\n ! variable names for the combined species-tags\n ! i.e. set s_spctag, t_spctag, and vnam_spctag\n ALLOCATE ( S_SPCTAG( N_SPCTAG ), STAT=IOST )\n CALL CHECKMEM( IOST, 'S_SPCTAG', PNAME )\n ALLOCATE ( T_SPCTAG( N_SPCTAG ), STAT=IOST )\n CALL CHECKMEM( IOST, 'T_SPCTAG', PNAME )\n ALLOCATE ( VNAM_SPCTAG( N_SPCTAG ), STAT=IOST )\n CALL CHECKMEM( IOST, 'VNAM_SPCTAG', PNAME )\n ALLOCATE ( BCON_SPC( N_SPCTAG ), STAT=IOST )\n CALL CHECKMEM( IOST, 'BCON_SPC', PNAME )\n\n ! Assign BCON tag indicies used in advection\n BCON_SPC = .FALSE.\n BCON_SPC( ((BCONTAG - 1)*NSPC_SA+1) : (NSPC_SA*BCONTAG) ) = .TRUE.\n\n \n END SUBROUTINE SA_DIM\n\n" }, { "path": "CCTM/src/isam/sa_matrix1.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/CCTM/src/vdiff/acm2/matrix.F,v 1.5 2011/10/21 16:11:45 yoj Exp $\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE SA_MATRIX1 ( KL, A, B, E, D, X )\n\nC Rather than solving the ACM2 banded tridiagonal matrix using LU decomposition,\nC it is much faster to split the solution into the ACM1 convective solver followed\nC by the tridiagonal solver\nC MATRIX1 is the ACM1 solver. When the PBL is convective, this solver is called\nC followed by TRI. If not convective, only TRI is called.\n\nC-- ACM1 Matrix is in this form (there is no subdiagonal:\nC B1 E2 <- note E2 (flux from layer above), not E1\nC A2 B2 E3\nC A3 B3 E4\nC A4 B4 E5\nC A5 B5 E6\nC A6 B6\n\n USE VGRD_DEFN ! vertical layer specifications\n USE SA_DEFN\n! USE CGRID_SPCS ! CGRID mechanism species\n USE UTILIO_DEFN\n\n IMPLICIT NONE\n\n!C Includes:\n! INTEGER, SAVE :: N_SPC_DIFF ! global diffusion species\n\nC Arguments:\n INTEGER, INTENT( IN ) :: KL ! CBL sigma height\n REAL, INTENT( IN ) :: A( : ) ! matrix column one\n REAL, INTENT( IN ) :: B( : ) ! diagonal\n REAL, INTENT( IN ) :: E( : ) ! superdiagonal\n REAL, INTENT( IN ) :: D( :,: ) ! R.H.S\n REAL, INTENT( OUT ) :: X( :,: ) ! returned solution\n\nC Locals:\n REAL, ALLOCATABLE, SAVE :: BETA( : )\n! REAL :: BETA( N_SPCTAG )\n REAL ALPHA, GAMA \n\n INTEGER L, V, IOS\n\n CHARACTER( 120 ) :: XMSG = ' '\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n\nC-----------------------------------------------------------------------\n\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n! N_SPC_DIFF = N_GC_TRNS + N_AE_TRNS + N_NR_TRNS + N_TR_DIFF\n ALLOCATE ( BETA( N_SPCTAG ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n XMSG = 'Failure allocating BETA'\n CALL M3EXIT( 'SA_MATRIX', 0, 0, XMSG, XSTAT1 )\n END IF\n END IF ! FIRSTIME\n\nC-- ACM1 matrix solver\n\n DO V = 1, N_SPCTAG\n BETA( V ) = D( V,1 )\n END DO\n GAMA = B( 1 )\n ALPHA = 1.0\n\n DO L = 2, KL\n ALPHA = -ALPHA * E( L ) / B( L )\n DO V = 1, N_SPCTAG\n BETA( V ) = ALPHA * D( V,L ) + BETA( V )\n END DO\n GAMA = GAMA + ALPHA * A( L )\n END DO\n\n DO V = 1, N_SPCTAG\n X( V,1 ) = BETA( V ) / GAMA\n X( V,KL ) = ( D( V,KL ) - A( KL ) * X( V,1 ) ) / B( KL )\n END DO\n\nC-- Back sub for Ux=y\n\n DO L = KL-1, 2, -1\n DO V = 1, N_SPCTAG\n X( V,L ) = ( D( V,L ) - A( L ) * X( V,1 ) - E( L+1 ) * X( V,L+1 ) ) / B( L )\n END DO\n END DO\n\n RETURN\n END\n\n" }, { "path": "CCTM/src/isam/sa_opwddep.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /amber/home/krt/cmq471/models/CCTM/src/vdiff/acm2_inline/opddep.F,v 1.1.1.1 2010/06/14 16:03:07 sjr Exp $\n \nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n \nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE SA_OPWDDEP ( SADEPFILE, JDATE, JTIME, TSTEP )\n\nC20140428 Open dry or wet deposition file (SA_DD_1 or SA_WD_1 as SADEPFILE)\nC for ISAM tracers.\nC\nC Called by vdiffproc.F (dry) or initscen.F (wet)\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE UTILIO_DEFN ! 20120712 replaces ioparms, iofdesc, iodecl\n USE SA_DEFN ! Mc06\n#ifdef parallel\n USE SE_MODULES ! stenex (using SE_UTIL_MODULE)\n#else\n USE NOOP_MODULES ! stenex (using NOOP_UTIL_MODULE)\n#endif\n\n\n IMPLICIT NONE\n \n INCLUDE SUBST_FILES_ID ! file name parameters\n\nC Arguments:\n\n CHARACTER( 16 ) SADEPFILE ! Either SA_DD_1 or SA_WD_1\n INTEGER JDATE ! current model date, coded YYYYDDD\n INTEGER JTIME ! current model time, coded HHMMSS\n INTEGER TSTEP ! output time step\n\nC Local variables:\n\n CHARACTER( 16 ) :: PNAME = 'OPWDDEP'\n CHARACTER( 96 ) :: XMSG = ' '\n\n INTEGER V, L ! loop induction variables\n INTEGER JSPCTAG ! loop induction for the Tags\n\nC-----------------------------------------------------------------------\n\nC Try to open existing file for update\n\n IF ( .NOT. OPEN3( SADEPFILE, FSRDWR3, PNAME ) ) THEN\n\n XMSG = 'Could not open ' // SADEPFILE // ' file for update - '\n & // 'try to open new'\n CALL M3MESG( XMSG )\n\nC Set output file characteristics based on COORD.EXT and open the dry dep file\n\n FTYPE3D = GRDDED3\n SDATE3D = JDATE\n STIME3D = 10000 * ( JTIME / 10000 ) ! Clear MMSS fields\n TSTEP3D = TSTEP\n CALL NEXTIME( SDATE3D, STIME3D, TSTEP3D ) ! start the next hour\n\n NVARS3D = N_SPCTAG \n NCOLS3D = GL_NCOLS\n NROWS3D = GL_NROWS\n NLAYS3D = 1\n NTHIK3D = 1\n GDTYP3D = GDTYP_GD\n P_ALP3D = P_ALP_GD\n P_BET3D = P_BET_GD \n P_GAM3D = P_GAM_GD\n XORIG3D = XORIG_GD\n YORIG3D = YORIG_GD\n XCENT3D = XCENT_GD\n YCENT3D = YCENT_GD\n XCELL3D = XCELL_GD\n YCELL3D = YCELL_GD\n VGTYP3D = VGTYP_GD\n VGTOP3D = VGTOP_GD\n! VGTPUN3D = VGTPUN_GD ! currently, not defined\n DO L = 1, NLAYS3D + 1\n VGLVS3D( L ) = VGLVS_GD( L )\n END DO\n! GDNAM3D = GDNAME_GD\n GDNAM3D = GRID_NAME ! from HGRD_DEFN\n\n IF ( SADEPFILE .EQ. SA_DD_1 ) THEN\n XMSG = ' RADM dry '\n ELSEIF ( SADEPFILE .EQ. SA_WD_1 ) THEN\n XMSG = ' wet '\n ENDIF\n\n DO JSPCTAG = 1, N_SPCTAG\n VTYPE3D( JSPCTAG ) = M3REAL\n VNAME3D( JSPCTAG ) = VNAM_SPCTAG( JSPCTAG )\n UNITS3D( JSPCTAG ) = 'kg/hectare'\n VDESC3D( JSPCTAG ) = 'hourly' // XMSG( 1:LEN_TRIM(XMSG) )\n & // 'deposition values'\n !write(*,*) VNAM_SPCTAG( JSPCTAG ),VNAME3D(JSPCTAG), UNITS3D( JSPCTAG ),VDESC3D( JSPCTAG )\n END DO\n\n FDESC3D( 1 ) = \n & 'hourly 1-layer X-point' // XMSG( 1:LEN_TRIM(XMSG) ) \n & // 'dep data for Tags'\n DO L = 2, MXDESC3\n FDESC3D( L ) = ' '\n END DO\n\nC Open dry deposition file\n\n IF ( .NOT. OPEN3( SADEPFILE, FSNEW3, PNAME ) ) THEN\n XMSG = 'Could not create '// SADEPFILE // ' file'\n CALL M3EXIT( PNAME, SDATE3D, STIME3D, XMSG, XSTAT1 )\n END IF\n\n END IF\n\n RETURN\n END\n" }, { "path": "CCTM/src/isam/sa_tri.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n! RCS file, release, date & time of last delta, author, state, [and locker]\n! $Header: /amber/home/krt/cmq471/models/CCTM/src/vdiff/acm2_inline/tri.F,v 1.1.1.1 2010/06/14 16:03:07 sjr Exp $ \n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE SA_TRI ( L, D, U, B, X )\nC-----------------------------------------------------------------------\nC20140428 Called by vdiffacm2.F\nC\nC FUNCTION:\nC Solves tridiagonal system by Thomas algorithm. Algorithm fails\nC ( M3ERR ) if first pivot is zero. In that case, rewrite the\nC equation as a set of order KMAX-1, with X(2) trivially eliminated.\nC The associated tri-diagonal system is stored in 3 arrays\nC D : diagonal\nC L : sub-diagonal\nC U : super-diagonal\nC B : right hand side function\nC X : return solution from tridiagonal solver\n\nC [ D(1) U(1) 0 0 0 ... 0 ]\nC [ L(2) D(2) U(2) 0 0 ... . ]\nC [ 0 L(3) D(3) U(3) 0 ... . ]\nC [ . . . . . ] X(i) = B(i)\nC [ . . . . 0 ]\nC [ . . . . ]\nC [ 0 L(n) D(n) ]\n\nC where n = NLAYS\n\nC PRECONDITIONS REQUIRED:\nC Dimensionality set up in terms of NLAYS from SUBST_VGRD_ID\n\nC SUBROUTINES AND FUNCTIONS CALLED:\n\nC REVISION HISTORY:\nC NO. DATE WHO WHAT\nC __ ____ ___ ____\nC 5 Apr 06 JEP adapted tridiag for use with ACM2\nC 4 Aug 96 yoj cleaner\nC 3 8/16/94 XKX configuration management include statements\nC 2 3/15/92 CJC For use in Models-3 LCM.\nC 1 10/19/89 JKV converted for use on IBM\nC 0 3/89 BDX Initial version\nC-----------------------------------------------------------------------\n\n USE VGRD_DEFN ! vertical layer specifications\n USE SA_DEFN ! Mc06\n\n IMPLICIT NONE\n\n\nC Arguments:\n\n REAL, INTENT( IN ) :: L( : ) ! subdiagonal\n REAL, INTENT( IN ) :: D( : ) ! diagonal\n REAL, INTENT( IN ) :: U( : ) ! superdiagonal\n REAL, INTENT( IN ) :: B( :,: ) ! R.H. side\n REAL, INTENT( OUT ) :: X( :,: ) ! solution\n\nC Local Variables:\n\n REAL GAM( NLAYS )\n REAL BET\n INTEGER V, K\n\nC Decomposition and forward substitution:\n BET = 1.0 / D( 1 )\n DO V = 1, N_SPCTAG\n X( V,1 ) = BET * B(V,1 )\n END DO\n\n DO K = 2, NLAYS\n GAM( K ) = BET * U( K-1 )\n BET = 1.0 / ( D( K ) - L( K ) * GAM( K ) )\n DO V = 1, N_SPCTAG\n X( V, K ) = BET * ( B( V,K ) - L( K ) * X( V,K-1 ) )\n END DO\n END DO\n\nC Back-substitution:\n\n DO K = NLAYS - 1, 1, -1\n DO V = 1, N_SPCTAG\n X( V,K ) = X( V,K ) - GAM( K+1 ) * X( V,K+1 )\n END DO\n END DO\n\n RETURN\n END\n" }, { "path": "CCTM/src/isam/wr_avg_sa.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/work/rep/arc/CCTM/src/driver/wrf/wr_aconc.F,v 1.6 2011/10/21 16:10:43 yoj Exp $\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE WR_AVG_SA ( JDATE, JTIME, TSTEP )\n\nC20140428 Writes hourly averaged ISAM conc to SA_ACONC_1\nC\nC Called by driver.F\nC\nC 01 Nov 2018: S.Napelenok Updates for cmaq5.3 release \nC 09 May 2019: D.Wong Removed all MY_ clauses\n\nC-----------------------------------------------------------------------\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE UTILIO_DEFN\nc USE SA_LAYERS ! 20140428 for AISAM_BLEV, AISAM_ELEV, SA_NLAYS\n USE SA_DEFN\n USE RUNTIME_VARS\n\n! USE SUBST_MODULES ! stenex\n! USE SUBST_UTIL_MODULE ! stenex\n\n#ifdef parallel\n USE SE_MODULES ! stenex (using SE_UTIL_MODULE)\n#else\n USE NOOP_MODULES ! stenex (using NOOP_UTIL_MODULE)\n#endif\n\n\n IMPLICIT NONE\n\nC Include Files:\n\n INCLUDE SUBST_FILES_ID ! file name parameters\n\n INTEGER JDATE ! current model date, coded YYYYDDD\n INTEGER JTIME ! current model time, coded HHMMSS\n INTEGER TSTEP ! output timestep (HHMMSS)\n\nC Local variables:\n\n REAL, ALLOCATABLE :: BUF4( :,:,:,: )\n INTEGER MDATE ! modified model date, coded YYYYDDD\n INTEGER MTIME ! modified model time, coded HHMMSS\n\n CHARACTER( 16 ) :: PNAME = 'WR_AVG_SA'\n CHARACTER( 16 ) :: ACONC_END_TIME = 'ACONC_END_TIME'\n CHARACTER( 80 ) :: VARDESC = ' '\n CHARACTER( 96 ) :: XMSG = ' '\n\nc INTEGER, SAVE :: LOGDEV ! FORTRAN unit number for log file\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n LOGICAL OK\nc LOGICAL, SAVE :: END_TIME = .FALSE.\n\n INTEGER L, K, KD, VAR, SPC ! loop counters\n INTEGER STATUS\n\n INTEGER, SAVE :: A_NLYS\n\n INTEGER TSTEP_RF, NTHIK_RF, NCOLS_RF, NROWS_RF, GDTYP_RF\n REAL( 8 ) :: P_ALP_RF, P_BET_RF, P_GAM_RF\n REAL( 8 ) :: XCENT_RF, YCENT_RF\n REAL( 8 ) :: XORIG_RF, YORIG_RF\n REAL( 8 ) :: XCELL_RF, YCELL_RF\n INTEGER VGTYP_RF\n REAL VGTOP_RF\nC-----------------------------------------------------------------------\n\nC Change output date/time to starting date/time - e.g. timestamp 1995196:090000\nC represents data computed from time 1995196:090000 to 1995196:100000\n\n IF ( FIRSTIME ) THEN\n LOGDEV = INIT3 ()\n\nC Override default beginning time timestamp for ACONC?\nc VARDESC = \nc & 'Flag to Override default beginning time timestamp for ACONC'\nc END_TIME = ENVYN( ACONC_END_TIME, VARDESC, END_TIME, STATUS )\nc IF ( STATUS .EQ. 1 ) THEN\nc XMSG = 'Environment variable improperly formatted'\nc CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\nc ELSE IF ( STATUS .NE. 0 ) THEN\nc WRITE( LOGDEV, '(5X, A)' ) VARDESC\nc XMSG = '... Using default:'\nc WRITE( LOGDEV, '(5X, A, I9)' ) XMSG, JTIME\nc END IF\n\n END IF\n\n IF ( END_TIME ) THEN ! ending time timestamp\n MDATE = JDATE; MTIME = JTIME\n ELSE ! beginning time timestamp\n MDATE = JDATE; MTIME = JTIME\n CALL NEXTIME ( MDATE, MTIME, -TSTEP )\n END IF\n\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n\nC Try to open existing file for update\n\nc CALL SUBST_BARRIER\n\n IF ( AISAM_ELEV .EQ. -1 ) AISAM_ELEV = NLAYS\n\n A_NLYS = AISAM_ELEV - AISAM_BLEV + 1\n\n OK = OPEN3( SA_ACONC_1, FSRDWR3, PNAME )\n CALL SUBST_GLOBAL_LOGICAL( OK, 'AND' )\n IF ( .NOT. OK ) THEN\n\n XMSG = 'Could not open ' // TRIM( SA_ACONC_1 )\n & // ' file for update - try to open new'\n CALL M3MESG( XMSG )\n\n IF ( MYPE .EQ. 0 ) THEN\n\nC Get default file header attibutes from CONC file (assumes file already open)\n\n IF ( .NOT. DESC3( SA_CONC_1 ) ) THEN\n XMSG = 'Could not get '\n & // TRIM( SA_CONC_1 )\n & // ' file description'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\nC Set file header attributes that differ from CONC and open the file\n\n SDATE3D = MDATE\n STIME3D = MTIME\n TSTEP3D = TSTEP\n!0711 NVARS3D = N_SPCTAG\n NLAYS3D = A_NLYS\n\n L = 0\n DO K = AISAM_BLEV, AISAM_ELEV\n L = L + 1\n VGLVS3D( L ) = VGLVS_GD( K )\n END DO\n!0711 VGLVS3D( A_NLYS + 1 ) = VGLVS_GD( NLAYS + 1 )\n! GDNAM3D = GDNAME_GD\n GDNAM3D = GRID_NAME ! from HGRD_DEFN\n\n FDESC3D( 1 ) = 'Src Apportionment file output '\n FDESC3D( 2 ) = \n & 'Averaged over the synchronization time steps '\n FDESC3D( 3 ) = \n & 'Timestamp represents beginning computed date/time '\n FDESC3D( 4 ) = 'Layer mapping (ISAM to AISAM):'\n KD = 4\n VAR = AISAM_BLEV\n L = 0\n DO K = KD + 1, MIN ( A_NLYS + KD, MXDESC3 )\n L = L + 1\n WRITE( FDESC3D( K ),'( \"Layer\", I3, \" to\", I3, \" \" )' )\n & VAR + L - 1, L\n END DO\n IF ( ( KD + 1 + L ) .LT. MXDESC3 ) THEN\n DO K = KD + 1 + L, MXDESC3\n FDESC3D( K ) = ' '\n END DO\n END IF\n\n WRITE( LOGDEV,* ) ' '\n WRITE( LOGDEV,* ) \n & ' Avg ISAM File Header Description:'\n DO K = 1, KD + L\n WRITE( LOGDEV,* ) ' => ',\n & TRIM( FDESC3D( K ) )\n END DO\n\n\n IF ( .NOT. OPEN3( SA_ACONC_1, FSNEW3, PNAME ) ) THEN\n XMSG = 'Could not open '\n & // TRIM( SA_ACONC_1 ) // ' file'\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n\n END IF ! MYPE = 0\n\n ELSE\n\nC File exists. Make sure it matches requested output.\n\n IF ( .NOT. DESC3( SA_CONC_1 ) ) THEN\n XMSG = 'Could not get '\n & // TRIM( SA_CONC_1 )\n & // ' file description'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n TSTEP_RF = TSTEP3D\n NTHIK_RF = NTHIK3D\n NCOLS_RF = NCOLS3D\n NROWS_RF = NROWS3D\n GDTYP_RF = GDTYP3D\n P_ALP_RF = P_ALP3D\n P_BET_RF = P_BET3D\n P_GAM_RF = P_GAM3D\n XCENT_RF = XCENT3D\n YCENT_RF = YCENT3D\n XORIG_RF = XORIG3D\n YORIG_RF = YORIG3D\n XCELL_RF = XCELL3D\n YCELL_RF = YCELL3D\n VGTYP_RF = VGTYP3D\n VGTOP_RF = VGTOP3D\n\n IF ( .NOT. DESC3( SA_ACONC_1 ) ) THEN\n XMSG = 'Could not get '\n & // TRIM( SA_ACONC_1 )\n & // ' file description'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n IF ( N_SPCTAG .NE. NVARS3D ) THEN\n WRITE( XMSG, '( A, 2I6 )' )\n & 'Number of variables don''t match file: ', N_SPCTAG, NVARS3D\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n\n DO SPC = 1, N_SPCTAG\n DO VAR = 1, NVARS3D\n IF ( VNAM_SPCTAG( SPC ) .EQ. VNAME3D( VAR ) ) GO TO 101\n END DO\n XMSG = 'Could not find ' // VNAM_SPCTAG( SPC )\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n101 CONTINUE\n END DO\n\n IF ( A_NLYS .NE. NLAYS3D ) THEN\n WRITE( XMSG, '( A, 2I6 )' )\n & 'Number of layers don''t match file: ', A_NLYS, NLAYS3D\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n\nC Check other header data with CONC file as reference\n\n IF ( TSTEP_RF .NE. TSTEP3D .OR.\n & NTHIK_RF .NE. NTHIK3D .OR.\n & NCOLS_RF .NE. NCOLS3D .OR.\n & NROWS_RF .NE. NROWS3D .OR.\n & GDTYP_RF .NE. GDTYP3D ) THEN\n XMSG = 'Header inconsistent on existing SA_ACONC_1'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n IF ( P_ALP_RF .NE. P_ALP3D .OR.\n & P_BET_RF .NE. P_BET3D .OR.\n & P_GAM_RF .NE. P_GAM3D ) THEN\n XMSG = 'Header inconsistent on existing SA_ACONC_1'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n IF ( XCENT_RF .NE. XCENT3D .OR.\n & YCENT_RF .NE. YCENT3D ) THEN\n XMSG = 'Header inconsistent on existing SA_ACONC_1'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n IF ( XORIG_RF .NE. XORIG3D .OR.\n & YORIG_RF .NE. YORIG3D ) THEN\n XMSG = 'Header inconsistent on existing SA_ACONC_1'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n IF ( XCELL_RF .NE. XCELL3D .OR.\n & YCELL_RF .NE. YCELL3D ) THEN\n XMSG = 'Header inconsistent on existing SA_ACONC_1'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n IF ( VGTYP_RF .NE. VGTYP3D ) THEN\n XMSG = 'Header inconsistent on existing SA_ACONC_1'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n IF ( VGTOP_RF .NE. VGTOP3D ) THEN\n XMSG = 'Header inconsistent on existing SA_ACONC_1'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n\n END IF ! .NOT. OPEN SA_ACONC_1\n\nc CALL SUBST_BARRIER\n\n END IF ! FIRSTIME\n \n IF ( .NOT. ALLOCATED( BUF4 ) ) ALLOCATE( BUF4( NCOLS, NROWS, A_NLYS, N_SPCTAG ) )\n\n \n DO SPC = 1, N_SPCTAG\n L = 0\n DO K = AISAM_BLEV, AISAM_ELEV\n L = L + 1\n BUF4( :,:,L,SPC ) = AISAM( :,:,L, S_SPCTAG(SPC), T_SPCTAG(SPC) )\n ENDDO !\n IF ( .NOT. WRITE3( SA_ACONC_1, VNAM_SPCTAG( SPC ),\n & MDATE, MTIME, BUF4( :,:,:,SPC ) ) ) THEN\n XMSG = 'Could not write '\n & // VNAM_SPCTAG( SPC )\n & // ' to ' // SA_ACONC_1\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n! write( logdev,* ) ' <>var, A_GC_SPC: ', VAR, A_GC_SPC( SPC )\n END DO\n \n WRITE( LOGDEV, '( /5X, 3( A, :, 1X ), I8, \":\", I6.6 )' )\n & 'Timestep written to', SA_ACONC_1,\n & 'for date and time', MDATE, MTIME\n\n IF ( ALLOCATED( BUF4 ) ) DEALLOCATE( BUF4 )\n\n RETURN \n END\n" }, { "path": "CCTM/src/isam/wr_sa.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc \nc [2] write tssa concentration data \nc \nC Revision history\nC 01 Nov 2018: S.Napelenok Updates for cmaq5.3 release \nC 09 May 2019: D.Wong Removed all MY_ clauses\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n\n SUBROUTINE WR_SA ( JDATE, JTIME, TSTEP, NSTEPS )\n\nC20140428 Writes ISAM values to SA_CONC_1 file\nC\nC Called by driver.F\n\n! USE HGRD_DEFN ! horizontal domain specifications\n USE GRID_CONF\n USE UTILIO_DEFN ! 20120615\nc USE SA_LAYERS\n USE SA_DEFN ! Mc06\nc USE SUBST_MODULES ! stenex\n USE RUNTIME_VARS\n\n#ifdef parallel\n USE SE_MODULES ! stenex (using SE_UTIL_MODULE)\n#else\n USE NOOP_MODULES ! stenex (using NOOP_UTIL_MODULE)\n#endif\n\n IMPLICIT NONE\n\nC Include Files:\n\n INCLUDE SUBST_FILES_ID ! I/O definitions and declarations\n\nC...Arguments Declaration\n INTEGER JDATE ! current model date, coded YYYYDDD\n INTEGER JTIME ! current model time, coded HHMMSS\n INTEGER TSTEP(3) ! format 10000, 0, 0\ncyqw\n INTEGER NSTEPS ! Number of time steps of 3D output\ncyqw\n!0711 CHARACTER( 16 ) :: FILE_NAME\n\nC...End of argument declaration\n\nC Local variables:\n \nc INTEGER ALLOCSTAT, LOGDEV\n INTEGER ALLOCSTAT\n LOGICAL, SAVE :: FIRSTIME = .TRUE. !20140228\n\n CHARACTER( 16 ) :: PNAME = 'WR_SA'\n CHARACTER( 96 ) :: XMSG = ' '\n \n INTEGER C,R,S,K,N, L, JSPC ! loop induction variables\n\n REAL, ALLOCATABLE, SAVE :: ISAM_BUFF ( :,:,:,: ) ! save added on 20140306\n\nC-----------------------------------------------------------------------\n\n\n CALL SUBST_BARRIER\n\n\nCkrt print*,'N_SPCTAG, JDATE, JTIME '\nCkrt print*, N_SPCTAG, JDATE, JTIME \n\n!0710 IF ( .NOT. OPEN3( FILE_NAME, FSRDWR3, PNAME ) ) THEN\n!0710 XMSG = 'Could not open ' // FILE_NAME // ' file for update'\n!0710 CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n!0710 END IF\n\n!0711 IF ( .NOT. DESC3( FILE_NAME ) ) THEN\n!0711 XMSG = 'Could not get file description from ' // FILE_NAME\n!0711 CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n!0711 END IF\n\n IF ( FIRSTIME ) THEN ! 20140228\n\n FIRSTIME = .FALSE.\n LOGDEV = INIT3 ()\n\n IF ( MYPE .NE. 0 ) THEN\n IF ( .NOT. OPEN3( SA_CONC_1, FSREAD3, PNAME ) ) THEN\n XMSG = 'Could not open ' // SA_CONC_1 // 'file for update'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF !open3\n END IF ! mype nonzero\n\n IF ( .NOT. DESC3( SA_CONC_1 ) ) THEN\n XMSG = 'Could not get file description from ' // SA_CONC_1\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n IF ( ISAM_ELEV .EQ. -1 ) ISAM_ELEV = NLAYS\n SA_NLAYS = ISAM_ELEV - ISAM_BLEV + 1\n\n!20140306 relocated here the following five lines\n ALLOCATE ( ISAM_BUFF( NCOLS, NROWS, SA_NLAYS, N_SPCTAG ),\n & STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating ISAM_BUFF'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n ENDIF\n\n IF ( ISAM_ELEV .EQ. -1 ) ISAM_ELEV = NLAYS\n\n END IF ! firstime\n\n ISAM_BUFF = 0.0\n!Ckrt print*,'S,VNAME3D(S),S_SPCTAG(S),T_SPCTAG(S)'\n DO S = 1, N_SPCTAG\n K = 0\n DO L = ISAM_BLEV, ISAM_ELEV\n K = K + 1\n DO R = 1, NROWS\n DO C = 1, NCOLS\n ISAM_BUFF( C,R,K,S ) = ISAM( C,R,L,S_SPCTAG(S),T_SPCTAG(S) )\n ENDDO\n ENDDO\n ENDDO\n\n\n!20140306 Mentioning of vname3d is dangerous. Use vnam_spctag instead\n!20140306 IF ( .NOT. WRITE3( SA_CONC_1, VNAME3D(S), JDATE, JTIME,\n IF ( .NOT. WRITE3( SA_CONC_1, VNAM_SPCTAG(S), JDATE, JTIME,\n & ISAM_BUFF(:,:,:,S)) ) THEN\n XMSG = 'Could not write to ' \n!0711& // FILE_NAME \n & // SA_CONC_1 \n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END DO\n!20140306 IF ( ALLOCATED(ISAM_BUFF) ) DEALLOCATE( ISAM_BUFF )\n \nc.....couple ISAM after writing\n\n return\n end\n\n" }, { "path": "CCTM/src/isam/wr_sa_cgrid.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc \nc [2] write tssa concentration data \nc \nC Revision history\nC 01 Nov 2018: S.Napelenok Updates for cmaq5.3 release \nC 09 May 2019: D.Wong Removed all MY_ clauses\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n\n SUBROUTINE WR_SA_CGRID ( JDATE, JTIME, TSTEP )\n\nC20140428 Writes full ISAM values to a restart file SA_CGRID_1 which would serve as\nC initial conditions for next day's run\nC\nC Called by driver.F\n\n USE GRID_CONF\n USE UTILIO_DEFN ! 20120615\nc USE SUBST_MODULES ! stenex\n USE SA_DEFN ! Mc06\n#ifdef parallel\n USE SE_MODULES ! stenex (using SE_UTIL_MODULE)\n#else\n USE NOOP_MODULES ! stenex (using NOOP_UTIL_MODULE)\n#endif\n\n\n IMPLICIT NONE\n\nC Include Files:\n\n INCLUDE SUBST_FILES_ID ! I/O definitions and declarations\n\nC...Arguments Declaration\n INTEGER JDATE ! current model date, coded YYYYDDD\n INTEGER JTIME ! current model time, coded HHMMSS\n !INTEGER TSTEP(2) ! format 10000, 0, 0\n INTEGER TSTEP ! format 10000\n\nC...End of argument declaration\n\nC Local variables:\n \nc INTEGER ALLOCSTAT, LOGDEV\n INTEGER ALLOCSTAT\n\n CHARACTER( 16 ) :: PNAME = 'WR_SA_CGRID'\n CHARACTER( 96 ) :: XMSG = ' '\n \nc INTEGER C,R,S,K,N, L, ITAG, JSPC ! loop induction variables\n INTEGER C,R,S,K,N, L, JSPC ! loop induction variables\n\n REAL, ALLOCATABLE :: ISAM_BUFF ( :,:,:,: )\n!20140519\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n LOGICAL OK\n\n INTEGER TSTEP_RF, NTHIK_RF, NCOLS_RF, NROWS_RF, GDTYP_RF\n REAL( 8 ) :: P_ALP_RF, P_BET_RF, P_GAM_RF\n REAL( 8 ) :: XCENT_RF, YCENT_RF\n REAL( 8 ) :: XORIG_RF, YORIG_RF\n REAL( 8 ) :: XCELL_RF, YCELL_RF\n INTEGER VGTYP_RF\n REAL VGTOP_RF\n\nC-----------------------------------------------------------------------\n\n IF ( FIRSTIME ) THEN\n \n FIRSTIME = .FALSE.\n\n CALL SUBST_BARRIER\n\n!20140519 add subst_global_logical call as done in wr_cgrid\n OK = OPEN3( SA_CGRID_1, FSRDWR3, PNAME )\n CALL SUBST_GLOBAL_LOGICAL( OK, 'AND' )\n\n IF ( .NOT. OK ) THEN\n XMSG = 'Could not open ' // SA_CGRID_1 // \n & ' file for update - try to open new'\n CALL M3MESG( XMSG )\n\n IF ( MYPE .EQ. 0 ) THEN\n ! open sa_conc_1\n IF ( .NOT. OPEN3( SA_CONC_1, FSRDWR3, PNAME ) ) THEN\n XMSG = 'Could not open ' // SA_CONC_1 // \n & ' file for update '\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n ENDIF ! sa_conc_1 opened ?\n \n ! Get description of sa_conc_1\n IF ( .NOT. DESC3( SA_CONC_1 ) ) THEN\n XMSG = 'Could not get file description from ' // SA_CONC_1\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n ENDIF ! sa_conc_1 description obtained ?\n\n SDATE3D = JDATE\n STIME3D = JTIME\n NLAYS3D = NLAYS\n\n ! Create sa_cgrid_1\n IF ( .NOT. OPEN3( SA_CGRID_1, FSNEW3, PNAME ) ) THEN\n XMSG = 'Could not open' // SA_CGRID_1 \n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n ENDIF !\n ENDIF ! mype0 ?\n\n ELSE ! 20140519 sa_cgrid already opened by any processor\n\n IF ( MYPE .EQ. 0 ) THEN\n\n IF ( .NOT. DESC3( SA_CONC_1 ) ) THEN\n XMSG = 'Could not get' // TRIM(SA_CONC_1) //\n & 'file description'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n ENDIF\n\n TSTEP_RF = TSTEP3D\n NTHIK_RF = NTHIK3D\n NCOLS_RF = NCOLS3D\n NROWS_RF = NROWS3D\n GDTYP_RF = GDTYP3D\n P_ALP_RF = P_ALP3D\n P_BET_RF = P_BET3D\n P_GAM_RF = P_GAM3D\n XCENT_RF = XCENT3D\n YCENT_RF = YCENT3D\n XORIG_RF = XORIG3D\n YORIG_RF = YORIG3D\n XCELL_RF = XCELL3D\n YCELL_RF = YCELL3D\n VGTYP_RF = VGTYP3D\n VGTOP_RF = VGTOP3D\n\n IF ( .NOT. DESC3( SA_CGRID_1 ) ) THEN\n XMSG = 'Could not get' // TRIM(SA_CGRID_1) // \n & 'file description'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n ENDIF\n\n IF ( TSTEP_RF .NE. ABS( TSTEP3D ) .OR.\n & NTHIK_RF .NE. NTHIK3D .OR.\n & NCOLS_RF .NE. NCOLS3D .OR.\n & NROWS_RF .NE. NROWS3D .OR.\n & GDTYP_RF .NE. GDTYP3D ) THEN\n XMSG = 'Header inconsistent on existing SA_CGRID_1'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n IF ( P_ALP_RF .NE. P_ALP3D .OR.\n & P_BET_RF .NE. P_BET3D .OR.\n & P_GAM_RF .NE. P_GAM3D ) THEN\n XMSG = 'Header inconsistent on existing SA_CGRID_1'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n IF ( XCENT_RF .NE. XCENT3D .OR.\n & YCENT_RF .NE. YCENT3D ) THEN\n XMSG = 'Header inconsistent on existing SA_CGRID_1'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n IF ( XORIG_RF .NE. XORIG3D .OR.\n & YORIG_RF .NE. YORIG3D ) THEN\n XMSG = 'Header inconsistent on existing SA_CGRID_1'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n IF ( XCELL_RF .NE. XCELL3D .OR.\n & YCELL_RF .NE. YCELL3D ) THEN\n XMSG = 'Header inconsistent on existing SA_CGRID_1'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n IF ( VGTYP_RF .NE. VGTYP3D ) THEN\n XMSG = 'Header inconsistent on existing SA_CGRID_1'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n IF ( VGTOP_RF .NE. VGTOP3D ) THEN\n XMSG = 'Header inconsistent on existing SA_CGRID_1'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n\n ENDIF ! mype 0\n\n END IF ! sa_cgrid_1 opened ?\n\n CALL SUBST_BARRIER\n\n ALLOCATE ( ISAM_BUFF( NCOLS, NROWS, NLAYS, N_SPCTAG ),\n & STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating ISAM_BUFF'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n ENDIF\n\n ENDIF !firstime\n\n ISAM_BUFF = 0.0\n \n DO S = 1, N_SPCTAG\n ISAM_BUFF( :,:,:,S ) = ISAM( :,:,:,S_SPCTAG(S),T_SPCTAG(S) )\n!20140319 IF ( .NOT. WRITE3( SA_CGRID_1, VNAME3D(S), JDATE, JTIME,\n IF ( .NOT. WRITE3( SA_CGRID_1, VNAM_SPCTAG(S), JDATE, JTIME,\n & ISAM_BUFF(:,:,:,S)) ) THEN\n XMSG = 'Could not write to ' \n & // SA_CGRID_1 \n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END DO ! S\n! DEALLOCATE( ISAM_BUFF )\n \n return\n end\n\n" }, { "path": "CCTM/src/par/mpi/distr_env.c", "content": "/***********************************************************************/\n/* Portions of Models-3/CMAQ software were developed or based on */\n/* information from various groups: Federal Government employees, */\n/* contractors working on a United States Government contract, and */\n/* non-Federal sources (including research institutions). These */\n/* research institutions have given the Government permission to */\n/* use, prepare derivative works, and distribute copies of their */\n/* work in Models-3/CMAQ to the public and to permit others to do */\n/* so. EPA therefore grants similar permissions for use of the */\n/* Models-3/CMAQ software, but users are requested to provide copies */\n/* of derivative works to the Government without restrictions as to */\n/* use by others. Users are responsible for acquiring their own */\n/* copies of commercial software associated with Models-3/CMAQ and */\n/* for complying with vendor requirements. Software copyrights by */\n/* the MCNC Environmental Modeling Center are used with their */\n/* permissions subject to the above restrictions. */\n/***********************************************************************/\n\n/* Distributes the CCTM script run time environment from the machine */\n/* that launched the script to the other participating machines */\n\n/* Revision History: */\n/* Written by shanzhong zhu */\n/* Modified by David Wong, SAIC, Api 2003 */\n/* Modified 06/2021: Bugfix from Steve Fine, US EPA-OAR */\n/* Modified 06/2021: Fahim Sidi, US EPA, Enhanced portability to */ \n/* other arch(s) that do NOT use Feldman-style Fortran bindings */\n\n#include \n#include \n#include \n#include \n#include \"mpi.h\"\n\n#ifdef DEBUGGING\n#define DEBUG(s) s\n#else\n#define DEBUG(s)\n#endif\n\n#ifdef FLDMN\n#define distr_env distr_env_\n#endif\n\nextern char **environ;\n#define TEMP_BUF_SIZE 102400\n#define CURR_STR_SIZE 10240\n\nextern void distr_env (int *myid_p, int *numprocs_p)\n{\n char **environ_ptr;\n int env_size, total_size, total_size_0, str_size, avail_size;\n int myid, numprocs;\n char temp_buf[TEMP_BUF_SIZE], curr_str[CURR_STR_SIZE], *curr_ptr, *curr_name, *curr_val;\n int ret, i, error;\n \n myid = *myid_p;\n numprocs = *numprocs_p;\n \n if (myid == 0)\n { environ_ptr = environ;\n env_size = 0;\n total_size = 0;\n i = 0;\n while (environ_ptr[i++] != NULL)\n { env_size++;\n total_size = total_size + strlen(environ_ptr[i-1]) + 1;\n }\n\n DEBUG( printf (\"last of environment context is %s, total_size is %d. \\n\", \n environ_ptr[env_size-1], total_size); )\n \n total_size_0 = total_size; \n curr_ptr = temp_buf;\n avail_size = TEMP_BUF_SIZE;\n\n for (i=0; i str_size) )\n { strcpy (curr_ptr, environ_ptr[i]);\n curr_ptr = curr_ptr + str_size + 1;\n avail_size = avail_size - str_size - 1;\n }\n else\n {\n printf (\"your temp_buf in distr_env may not big enough to \");\n printf (\"hold next environmental pair \\n\");\n exit (1);\n }\n }\n\n }\n\n error = MPI_Bcast (&total_size_0, 1, MPI_INT, 0, MPI_COMM_WORLD);\n\n error = MPI_Bcast (temp_buf, total_size_0, MPI_CHAR, 0, MPI_COMM_WORLD); \n\n if (myid != 0)\n {\n DEBUG( printf (\"total_size_0 is: %d \\n\", total_size_0); )\n \n curr_ptr = temp_buf;\n while (curr_ptr < temp_buf+total_size_0)\n {\n if (strlen(curr_ptr) <= CURR_STR_SIZE)\n {\n strcpy (curr_str, curr_ptr);\n curr_ptr = curr_ptr+strlen(curr_str)+1;\n }\n else\n {\n printf (\"The curr_str buffer is not big enough! \\n\");\n exit (1);\n }\n\n DEBUG( printf (\"The current environmental value pair is: %s \\n\", curr_str); )\n \n curr_name = strtok (curr_str, \"=\");\n curr_val = strtok (NULL, \"\\0\");\n \n if (curr_val) \n {\n if ( ret = setenv (curr_name, curr_val, 0) )\n { \n printf (\"error in setting environmental variable %s = %s. \\n\", curr_name, curr_val);\n exit (1);\n }\n } \n \n DEBUG( printf (\"check the environmetal variable %s = %s. \\n\", curr_name, getenv(curr_name)); )\n }\n\n }\n MPI_Barrier (MPI_COMM_WORLD);\n\n}\n" }, { "path": "CCTM/src/par/mpi/mpcomm_init.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/CCTM/src/par/mpi/mpcomm_init.F,v 1.4 2011/10/21 16:11:25 yoj Exp $\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE MPCOMM_INIT( NPROCS, MYPE, CLOCK, IERR )\nC.......................................................................\nC\nC Purpose: Initialization for parallel execution of CMAQ\n \nC Revision History: \nC Original version 5/09 Jeff Young - modified from par_init\nC Modified 02/23/2011 by Shawn Roselle\nC -- Replaced I/O API include files with UTILIO_DEFN\nC Modified 08/10/2011 by David Wong\nC -- Called MPI_INIT if it is a regular CMAQ run\nC Modified 08/2011 by David Wong\nC -- Replaced SUBST_MPI with mpif.h\n \nC Argument List Description:\nC In:\nC INTEGER NLAYS ! Number of layers in entire grid\nC INTEGER NSPCS ! Number of species in CGRID\n \nC Out:\nC REAL CLOCK ! Wall-clock time (sec) at MPI initialization\nC INTEGER IERR ! Error code: 0 for ok, 1 for fail\n \nC Local Variable Description:\n \nC Other Local Variable Descriptions: see below\n\nC Calls: M3WARN, MPI_INIT, MPI_COMM_RANK, MPI_COMM_SIZE, MPI_WTIME\n \nC........................................................................\n\n USE UTILIO_DEFN\n\n IMPLICIT NONE\n\nC Include Files\n\n! INCLUDE SUBST_MPI ! MPI definitions and parameters\n include 'mpif.h'\n\nC Arguments\n\n INTEGER, INTENT( OUT ) :: NPROCS ! number of parallel processors\n INTEGER, INTENT( OUT ) :: MYPE ! this parallel processor\n REAL(8), INTENT( OUT ) :: CLOCK ! Wall-clock time (sec) at MPI initialization\n INTEGER, INTENT( OUT ) :: IERR ! error code\n\nC Local Variables \n\n INTEGER FLAG\n\n CHARACTER( 80 ) :: XMSG ! Message issued from M3WARN routine\n CHARACTER( 16 ) :: PNAME = 'MPCOMM_INIT'\n\nC------------------------------------------------------------------------\n\n IERR = 0\n\nC Start up MPI\n#if !defined(twoway) && !defined(mpas)\n CALL MPI_INIT( FLAG )\n IF ( FLAG .NE. 0 ) THEN\n WRITE( XMSG,'(I6, A)' ) FLAG, 'Error in MPI_INIT.'\n CALL M3WARN ( PNAME, 0, 0, XMSG )\n IERR = 1; RETURN\n END IF\n#endif\n\nC Get wall-clock time\n CLOCK = MPI_WTIME()\n\nC Get number of processors\n CALL MPI_COMM_SIZE( MPI_COMM_WORLD, NPROCS, FLAG )\n IF ( FLAG .NE. 0 ) THEN\n WRITE( XMSG,'(I6, A)' ) FLAG, 'Error in MPI_COMM_SIZE.'\n CALL M3WARN ( PNAME, 0, 0, XMSG )\n IERR = 1; RETURN\n END IF\n\nC Get my processor rank (i.e., get ID of this processor)\n CALL MPI_COMM_RANK( MPI_COMM_WORLD, MYPE, FLAG )\n IF ( FLAG .NE. 0 ) THEN\n WRITE( XMSG,'(I6, A)' ) FLAG, 'Error in MPI_COMM_RANK.'\n CALL M3WARN ( PNAME, 0, 0, XMSG )\n IERR = 1; RETURN\n END IF\n\n#ifdef cluster\nC Distribute run time environment variables to other machines - by bo wang\n CALL distr_env ( MYPE, NPROCS )\n#endif\n\n RETURN\n END\n" }, { "path": "CCTM/src/par/par_noop/par_init_noop.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/CCTM/src/par/par_noop/par_init_noop.F,v 1.2 2011/10/21 16:11:26 yoj Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\n SUBROUTINE PAR_INIT( COLROW, NSPCS, CLOCK, IERROR )\nC.....................................................................\nC\nC PURPOSE: No-operation version of parallel initialization, for\nC running in serial configuration. Local processor\nC dimensions are set to the one-processor values.\nC \nC\nC REVISION HISTORY: \nC Original version 10/1998 by Al Bourgeois for merging parallel\nC and serial codes.\nC Modified 01/1998 by Al Bourgeois to fix subscripts in arrays \nC ROWSX_PE and COLSX_PE. \nC Modified 11/2001 by Jeff Young for dynamic alloc version\nC Modified 31/01/05 J.Young: dyn alloc - establish both horizontal &\nC vertical domain specifications in one module\nC 16 Jan 06 J.Young: possible PA grid init\nC Modified 03/29/11 S.Roselle: Replaced I/O API include files with\nC UTILIO_DEFN\nC\nC\nC ARGUMENT LIST DESCRIPTION:\nC IN:\nC CHARACTER( 2 ), INTENT( IN ) :: COLROW ! columns/rows arg list check\nC INTEGER NSPCS ! Number of species in CGRID.\nC\nC OUT:\nC REAL CLOCK ! Wall-clock time (sec) at MPI initialization.\nC INTEGER IERROR ! Error code.\nC\nC\nC LOCAL VARIABLE DESCRIPTION: see below\nC\nC CALLS: None \nC\nC........................................................................\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE PA_DEFN ! PROCAN flags\n USE PAGRD_DEFN ! PA horiz domain specs\n USE UTILIO_DEFN\n\n IMPLICIT NONE\n\nC Include Files\n\nC Arguments\n\n CHARACTER( 2 ), INTENT( IN ) :: COLROW ! columns/rows arg list check\n INTEGER, INTENT( IN ) :: NSPCS ! Number of species in CGRID\n REAL, INTENT( OUT ) :: CLOCK ! Wall-clock time (sec) at MPI initialization\n INTEGER, INTENT( OUT ) :: IERROR ! Error code\n\nC Local Variables\n\n CHARACTER( 96 ) :: MSG\n\nC Set error code to zero.\n IERROR = 0\n\n NPROCS = 1\n MYPE = 0\n CLOCK = 0\n\nC Set up horizontal domain and calculate processor-to-subdomain maps\nC and define vertical layer structure (in module GRID_CONF)\n\n IF ( .NOT. GRID_INIT ( NPROCS, MYPE ) ) THEN\n MSG = '*** Failure defining domain configuration'\n CALL M3WARN ( 'PAR_INIT', 0, 0, MSG )\n IERROR = 1\n RETURN\n END IF\n\nC Set up horizontal domain and calculate processor-to-subdomain maps for\nC process analysis, if required\n\n IF ( LIPR .OR. LIRR ) THEN\n IF ( .NOT. PAGRD_INIT( MYPE ) ) THEN\n MSG = '*** Failure defining PA domain configuration'\n CALL M3WARN ( 'PAR_INIT', 0, 0, MSG )\n IERROR = 1\n RETURN\n END IF\n END IF\n\n RETURN\n END\n" }, { "path": "CCTM/src/par/par_noop/par_term_noop.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/CCTM/src/par/par_noop/par_term_noop.F,v 1.2 2011/10/21 16:11:26 yoj Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\n SUBROUTINE PAR_TERM ( CALLER, JDATE, JTIME, BEGTIME )\nC .....................................................................\n \nC PURPOSE: Performs no-operation for parallel termination. \n \nC REVISION HISTORY: \nC Original version 10/1998 by Al Bourgeois for parallel implementaion.\nC Modified 03/29/11 S.Roselle: Replaced I/O API include files with\nC UTILIO_DEFN\n \nC ARGUMENT LIST DESCRIPTION: \nC IN:\nC CHARACTER*16 CALLER ! Program name.\nC INTEGER JDATE ! Current model date, coded YYYYDDD.\nC INTEGER JTIME ! Current model time, coded HHMMSS.\nC REAL BEGTIME ! Wall-clock time (sec) at initialization.\nC ^^^^^^^ not used\nC OUT: none\n \nC LOCAL VARIABLE DESCRIPTION: see below\n \nC CALLS: None \n \nC........................................................................\n\n USE UTILIO_DEFN\n\n IMPLICIT NONE\n\nC Include Files: None\n\nC Arguments:\n\n CHARACTER( 16 ) :: CALLER ! Program name.\n INTEGER JDATE ! Current model date, coded YYYYDDD.\n INTEGER JTIME ! Current model time, coded HHMMSS.\n REAL BEGTIME ! Wall-clock time (sec) at initialization.\n\n CHARACTER( 80 ) :: XMSG\n\nC........................................................................\nC begin function PAR_TERM( CALLER, JDATE, JTIME, BEGTIME )\n\nC Shut down IOAPI \n\n IF ( SHUT3() ) THEN\n XMSG = '>>----> Program completed successfully <----<<'\n WRITE ( *,'( //5X, A, // )' ) XMSG\n STOP\n ELSE\n XMSG = ' *** FATAL ERROR shutting down Models-3 I/O *** '\n WRITE ( *,'( //5X, A, // )' ) XMSG\n CALL M3EXIT ( 'PAR_TERM', 0, 0, XMSG, 1 )\n END IF\n\n RETURN\n END\n" }, { "path": "CCTM/src/phot/inline/AERO_PHOTDATA.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n MODULE AERO_PHOTDATA\n\n IMPLICIT NONE\n\n REAL( 8 ), ALLOCATABLE :: SHELL_MOMENT3( :,: ) ! modal shell third moment conc.\n REAL( 8 ), ALLOCATABLE :: CORE_MOMENT3 ( :,: ) ! model core third moment conc.\n\n REAL, ALLOCATABLE :: BLK_AE_VOL ( :,: ) ! aerosol modal volumes [ m**3/m**3 ]\n REAL, ALLOCATABLE :: BLK_AE_LSG ( :,: ) ! aerosol modal log of geo. stand. dev\n REAL, ALLOCATABLE :: BLK_AE_DGN ( :,: ) ! aerosol modal mean geometeric diam. [ m ]\n REAL, ALLOCATABLE :: AE_DGN_CORE ( :,: ) ! inner core modal mean geometeric diam. [ m ]\n REAL, ALLOCATABLE :: AE_DGN_SHELL( :,: ) ! modal mean geometeric diam. [ m ]\n REAL, ALLOCATABLE :: BLK_AE_CONC ( :,:,: ) ! aerosol species concentrations [ ug/m**3]\n\n REAL, ALLOCATABLE :: AE_NR_SHELL ( :,:,: ) ! real part of refractive index for outer shell\n REAL, ALLOCATABLE :: AE_NI_SHELL ( :,:,: ) ! imaginary part of refractive index for outer shell\n REAL, ALLOCATABLE :: AE_NR_CORE ( :,:,: ) ! real part of refractive index for inner core\n REAL, ALLOCATABLE :: AE_NI_CORE ( :,:,: ) ! imaginary part of refractive index for inner core\n REAL, ALLOCATABLE :: BLK_AE_NR ( :,:,: ) ! mean aerosol real part of refractive index\n REAL, ALLOCATABLE :: BLK_AE_NI ( :,:,: ) ! mean aerosol imaginary part of refractive index\n\n REAL, ALLOCATABLE :: AERO_ASYM_FAC ( :,: ) ! aerosol modal averaged asymmetry factor\n REAL, ALLOCATABLE :: AERO_EXTI_COEF( :,: ) ! aerosol modal averaged extinction coeff., 1/m\n REAL, ALLOCATABLE :: AERO_SCAT_COEF( :,: ) ! aerosol modal averaged scattering coeff., 1/m\n REAL, ALLOCATABLE :: AERO_ABSO_COEF( :,: ) ! aerosol modal averaged sbsorption coeff., 1/m\n REAL, ALLOCATABLE :: AERO_EXTI_550 ( : ) ! aerosol modal averaged extinction coeff. at 550nm, 1/m\n REAL, ALLOCATABLE :: AERO_ABSO_550 ( : ) ! aerosol modal averaged extinction coeff. at 550nm, 1/m\n \n PUBLIC :: AERO_ASYM_FAC, AERO_EXTI_COEF, AERO_SCAT_COEF, AERO_ABSO_COEF,\n & INIT_AERO_DATA, GET_AERO_DATA\n\n INTEGER, ALLOCATABLE, PRIVATE :: REFRACT_INDX_MAP( : ) ! map array for refactive index\n\n REAL, ALLOCATABLE, PRIVATE :: VOL_MINS( : ) ! minmum volume permode\n REAL( 8 ), ALLOCATABLE, PRIVATE :: M3_FACTOR( : ) ! convert mass to portion of 3rd moment\n LOGICAL, ALLOCATABLE, PRIVATE :: IS_CORE_SPCS( :,: ) ! flag denoting species is in aerosol core\n\n INTEGER, PARAMETER, PRIVATE :: NUMB_COR_SPCS = 3 ! number species in core\n\n LOGICAL :: CALCULATE_EXT_550 = .FALSE. ! flag to get extinction at 550 nm\n LOGICAL :: USE_ANGSTROM_INTERP = .FALSE. ! flag to use angstrom exponents for 550 nm\n \n INTEGER :: IWL_ANGSTROM_LOWER = 0 ! index for wavelength less than 550 nm\n INTEGER :: IWL_ANGSTROM_UPPER = 0 ! index for wavelength greater than 550 nm\n REAL( 8 ) :: ANGSTROM_RATIO = 1.0D0 ! wavelength less than 550 nm divided by 550 nm\n REAL( 8 ) :: LOG_ANGSTROM_RATIO = 0.0D0 \n REAL( 8 ) :: ANGSTROM_SPAN = 1.0D0 ! reciprocal of log ((wavelength < 550 nm)/(wavelength > 550 nm)\n REAL( 8 ) :: ANGSTROM_EXPONENT = 1.0D0 ! Angstrom exponent used to interpolate extinction at 550 nm\n \nC *** Species in aerosol core\n\n CHARACTER( 16 ), PARAMETER, PRIVATE :: CORE_SPCS( NUMB_COR_SPCS ) =\n & (/ 'AECI', 'AECJ', 'AECK' /)\n \n CONTAINS\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE INIT_AERO_DATA( )\n\nC Allocate and define arrays used to calculate aerosol optical properties\n\n USE GRID_CONF, ONLY: NROWS, NCOLS, NLAYS ! horizontal & vertical domain specifications\n USE UTILIO_DEFN\n \n USE AERO_DATA ! aero variable data\n USE SOA_DEFN ! gas soa data\n USE AEROMET_DATA ! constants and met data\n \n USE CSQY_DATA, ONLY : NWL => NWL_REF, NUM_REFRACTIVE, REFRACTIVE_INDEX,\n & WAVELENGTH => EFFWL_REF !!! , FIRST_DAY => NEW_START\n\n USE WRF_FAST_MIE, ONLY : FAST_MIEAER_MODAL, EFLAG_WRF_FAST_MIE\n\n IMPLICIT NONE\n\nC Arguments:\n\nC Local:\n CHARACTER( 32 ) :: PNAME = 'INIT_AERO_DATA'\n CHARACTER( 120 ) :: XMSG \n\n INTEGER :: ALLOCSTAT\n INTEGER :: ESTAT ! status from environment var check\n INTEGER :: JDATE, JTIME\n INTEGER :: M, N, SPC, V ! loop counters\n \n LOGICAL, SAVE :: INITIALIZED = .FALSE.\n\n REAL :: MIE_PARAMETER = 1.0E-3\n COMPLEX :: REFINDX = (1.0,0.0)\n\n REAL :: EXTAER,SCATAER,GAER\n REAL :: BSCOEF\n\n#ifdef verbose_phot\n character( 26 ), allocatable :: lambda_list( : )\n#endif\n\n IF ( INITIALIZED ) THEN\n RETURN\n END IF\n \n JDATE = 0\n JTIME = 0\n\n\nC...Allocate needed arrays\n\n ALLOCATE ( VOL_MINS( N_MODE ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating VOL_MINS'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n \n ALLOCATE ( BLK_AE_CONC( N_AEROSPC,N_MODE,NLAYS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating BLK_AE_CONC'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n ALLOCATE ( SHELL_MOMENT3( N_MODE,NLAYS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating SHELL_MOMENT3'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n ALLOCATE ( BLK_AE_VOL( N_MODE,NLAYS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating BLK_AE_VOL'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n ALLOCATE ( BLK_AE_LSG( N_MODE,NLAYS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating BLK_AE_LSG'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n ALLOCATE ( BLK_AE_DGN( N_MODE,NLAYS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating BLK_AE_DGN'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n ALLOCATE ( AE_DGN_SHELL( N_MODE,NLAYS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating AE_DGN_SHELL'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n ALLOCATE ( AE_NR_SHELL( N_MODE,NLAYS,NWL ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating AE_NR_SHELL'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n ALLOCATE ( AE_NI_SHELL( N_MODE,NLAYS,NWL ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating AE_NI_SHELL'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n ALLOCATE ( AERO_ASYM_FAC( NLAYS,NWL ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating AERO_ASYM_FAC'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n ALLOCATE ( AERO_EXTI_COEF( NLAYS,NWL ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating AERO_EXTI_FAC'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n ALLOCATE ( AERO_SCAT_COEF( NLAYS,NWL ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating AERO_EXTI_FAC'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n ALLOCATE ( AERO_ABSO_COEF( NLAYS,NWL ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating AERO_ABSO_FAC'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n AERO_SCAT_COEF = 0.0\n AERO_EXTI_COEF = 0.0\n AERO_ASYM_FAC = 0.0\n AERO_ABSO_COEF = 0.0\n\n IF( CALCULATE_EXT_550 )THEN\n ALLOCATE ( AERO_EXTI_550( NLAYS ),\n & AERO_ABSO_550( NLAYS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating AERO_EXTI_550'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n AERO_EXTI_550 = 0.0\n AERO_ABSO_550 = 0.0\n END IF \n\n CALL MAP_AERO()\n \n ALLOCATE( M3_FACTOR( N_AEROSPC ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating M3_FACTOR'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n \n ALLOCATE( REFRACT_INDX_MAP( N_AEROSPC ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating REFRACT_INDX_MAP'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n \n! IF( CORE_SHELL )THEN\n ALLOCATE( IS_CORE_SPCS( N_AEROSPC,N_MODE ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating IS_CORE_SPCS'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n \n IS_CORE_SPCS = .FALSE.\n\n ALLOCATE ( CORE_MOMENT3( N_MODE,NLAYS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating CORE_MOMENT3'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n \n ALLOCATE ( AE_DGN_CORE( N_MODE,NLAYS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating AE_DGN_CORE'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n \n ALLOCATE ( AE_NR_CORE( N_MODE,NLAYS,NWL ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating AE_NR_CORE'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n \n ALLOCATE ( AE_NI_CORE( N_MODE,NLAYS,NWL ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating AE_NI_CORE'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n! END IF\nC *** Create map for refactive index for each species\n\n#ifdef verbose_phot\n allocate( lambda_list( nwl ) )\n do v = 1, nwl\n write( lambda_list( v ), 5000)int(wavelength( v )), \n & int(wavelength( v ))\n end do\n write( logdev, 5001)(lambda_list( v ), v = 1, nwl)\n#endif \n\n WRITE(LOGDEV,*)\n CALL M3MESG('METHOD FOR AEROSOL OPTICAL PROPERTIES')\n xmsg = 'METHOD FOR AEROSOL OPTICAL PROPERTIES'\n IF ( .NOT. CORE_SHELL ) THEN\n XMSG = 'CORE-SHELL mixing model option is set to off so'\n WRITE(LOGDEV,'(A)')TRIM( XMSG )\n ELSE\n XMSG = 'CORE-SHELL mixing model used when aerosol mode has significant black carbon'\n WRITE(LOGDEV,'(A)')TRIM( XMSG )\n XMSG = 'When aerosol mode does not have significant black carbon,'\n WRITE(LOGDEV,'(A)')TRIM( XMSG )\n END IF\n SELECT CASE ( AEROSOL_OPTICS )\n CASE( 1 )\n XMSG = 'VOLUME MIXING model and Tabular Mie Method used'\n WRITE(LOGDEV,'(A)')TRIM( XMSG )\n CALL FAST_MIEAER_MODAL( MIE_PARAMETER,REFINDX,EXTAER,SCATAER,GAER,BSCOEF )\n IF ( EFLAG_WRF_FAST_MIE ) THEN\n XMSG = 'Above Failure Initializing Tabular Mie Method for aerosol optics'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n CASE( 2 )\n XMSG = 'VOLUME MIXING model and Mie calculation used'\n WRITE(LOGDEV,'(A)')TRIM( XMSG )\n CASE( 3 )\n XMSG = 'VOLUME MIXING model and FAST_OPTICS used'\n WRITE(LOGDEV,'(A)')TRIM( XMSG )\n XMSG = '-Approximations to Mie Theory based on Mie paramter and refractive index '\n WRITE(LOGDEV,'(A)')TRIM( XMSG )\n END SELECT\n WRITE(LOGDEV,*)\n\n FORALL ( SPC = 1:N_MODE ) VOL_MINS( SPC ) = PI6 * AEROMODE( SPC )%MIN_M3CONC\n\n DO SPC = 1, N_AEROSPC\n\n M3_FACTOR( SPC ) = REAL( 1.0E-9 * F6DPI / AEROSPC( SPC )%DENSITY, 8 )\n\n DO M = 1, NUM_REFRACTIVE\n IF ( AEROSPC( SPC )%OPTIC_SURR .EQ. REFRACTIVE_INDEX( M )%NAME ) THEN\n REFRACT_INDX_MAP( SPC ) = M\n DO N = 1, N_MODE\n\n IF ( CORE_SHELL ) THEN\n DO V = 1, NUMB_COR_SPCS\n IF ( AEROSPC( SPC )%NAME( N ) .EQ. CORE_SPCS( V ) ) THEN\n IS_CORE_SPCS( SPC, N ) = .TRUE.\n END IF\n END DO\n END IF\n#ifdef verbose_phot\n if ( aero_missing(spc,n) ) cycle\n write( logdev, 5002)trim( aerospc( spc )%name( n ) ), \n & trim( refractive_index( m )%name ),is_core_spcs( spc,n ),\n & (refractive_index( m )%real_part( n,v ), \n & refractive_index( m )%imag_part( n,v ), v = 1, nwl)\n#endif \n END DO \n EXIT\n END IF\n END DO\n IF ( REFRACT_INDX_MAP( SPC ) .LT. 1 ) THEN\n DO M = 1, N_MODE\n IF ( aero_missing(spc,n) ) CYCLE\n XMSG = 'Species ' // TRIM( AEROSPC( SPC )%NAME( M ) )\n & // ' does not use defined refractive index.'\n CALL M3EXIT ( PNAME, 0, 0, XMSG, XSTAT3 )\n END DO\n END IF\n END DO\n\n IF( CALCULATE_EXT_550 )THEN ! locate 550 nm in wavebands and set-up interpolation \n IF ( WAVELENGTH( 1 ) .GE. 550.0 ) THEN\n IWL_ANGSTROM_LOWER = 1\n ELSE IF ( WAVELENGTH( NWL ) .LE. 550.0 ) THEN\n IWL_ANGSTROM_LOWER = NWL\n ELSE\n LOOP_FINDW: DO V = 1, NWL - 1\n IF ( WAVELENGTH( V ) .LT. 550.0 .AND. WAVELENGTH( V+1 ) .GT. 550.0 ) THEN\n IWL_ANGSTROM_LOWER = V\n IWL_ANGSTROM_UPPER = V+1\n ANGSTROM_SPAN = REAL( 1.0 / LOG( WAVELENGTH( V ) / WAVELENGTH( V+1 ) ), 8 )\n ANGSTROM_RATIO = REAL( (WAVELENGTH( V ) / 550.0), 8)\n! ANGSTROM_RATIO = REAL( (WAVELENGTH( V ) / WAVELENGTH( V+1 )), 8)\n LOG_ANGSTROM_RATIO = LOG( ANGSTROM_RATIO )\n! WRITE(LOGDEV,'(A,2(F7.3,1X))')'Angstrom Interpolation Wavelengths: ', \n! & WAVELENGTH( IWL_ANGSTROM_LOWER ), WAVELENGTH( IWL_ANGSTROM_UPPER )\n! WRITE(LOGDEV,'(A,2(ES12.4,1X))')'Angstrom Span, Ratio: ', \n! & ANGSTROM_SPAN, ANGSTROM_RATIO\n USE_ANGSTROM_INTERP = .TRUE.\n EXIT LOOP_FINDW\n ELSE IF ( WAVELENGTH( V ) .EQ. 550.0 ) THEN\n IWL_ANGSTROM_LOWER = V\n EXIT LOOP_FINDW\n END IF\n END DO LOOP_FINDW\n END IF\n IF( .NOT. USE_ANGSTROM_INTERP )THEN\n WRITE(LOGDEV,'(A,2(F7.3,1X))')'No Angstrom Inpolation Used 550 Extinction used at ', \n & WAVELENGTH( IWL_ANGSTROM_LOWER )\n END IF\n END IF\n\n RETURN\n\n5000 FORMAT(2X,'NR_',I3.3,7X,'NI_',I3.3,5X)\n5002 FORMAT(2(A16,1X),L12,1X,200(ES12.4,1X)) \n5001 FORMAT(' AE_SPC ',1X,' REFRACT_INDX ',1X,'PART_OF_CORE',1X,200(A26))\n\n END SUBROUTINE INIT_AERO_DATA\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE GET_AERO_DATA ( COL, ROW, NLAYS, DENS, CGRID )\n\nC-----------------------------------------------------------------------\nC FUNCTION: This subroutine calculates the volume, the natural logs of \nC geometric standard of all 3 modes. It assumes that aerosols have inner \nC core with an outer shell to compute a core and total diameter per mode. \nC The code also calculates the average modal aerosol refractive indices \nC for the inner core and outer shell.\nC\nC Internally mixed wet aerosols are assumed.\nC\nC NOTE\nC 2nd moment concentrations (M2) are passed into GETPAR in the\nC CBLK array. The GETPAR calculations implicitly assume\nC that the input value of M2 is up to date\nC If, for example, the input M2 value was calculated\nC for a \"dry\" aerosol and the Wet_Moments_FLAG is .TRUE., GETPAR would\nC incorrectly adjust the M2 concentrations!\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: EXTRACT_AERO, EXTRACT_SOA, GETPAR\nC AERO_OPTICAL2, AERO_OPTICAL_CS \nC REVISION HISTORY\nC 06/13/13 B.Hutzell - initial version created for aero_photdata.F \nC from version 5.01\nC 05/2016 H. Pye and B. Murphy - updated treatment of aerosol\nC moments\nC 05/23/16 D.Wong - replaced RRTMG_AERO_OPTICAL_UTIL_MODULE with\nC CMAQ_RRTMG_AERO_OPTICAL_UTIL_MODULE to avoid\nC duplication of the same module name on WRF side\nC of the two-way model\nC\nC REFERENCES:\nC Horvath, H., Size segrated light absorption coefficient for\nC the atmospheric aerosol, Atmos. Environ., Vol. 29, No. 8,\nC pp 875-883, 1995.\nC\nC Beyer, K.D. A.R. Ravishankara, and E. R. Lovejoy, Meanurements\nC of H2SO4/H2O and H2SO4/HNO3/H2O solutions, J. Geophys. Res. Vol.\nC 101, D9, pp 14519-14524, 1996.\nC\nC-----------------------------------------------------------------------\n\n! USE GRID_CONF ! horizontal & vertical domain specifications\n USE RXNS_DATA\n USE CGRID_SPCS ! CGRID mechanism species\n USE UTILIO_DEFN\n\n USE AERO_DATA ! aero variable data\n USE SOA_DEFN ! gas soa data\n USE AEROMET_DATA ! constants and met data\n \n USE CSQY_DATA, ONLY : NWL => NWL_REF, NUM_REFRACTIVE, REFRACTIVE_INDEX,\n & WAVELENGTH => EFFWL_REF\n\n USE CMAQ_RRTMG_AERO_OPTICAL_UTIL_MODULE, ONLY : AERO_OPTICAL2, AERO_OPTICAL_CS\n\n USE WRF_FAST_MIE, ONLY : AERO_OPTICS_TABULAR\n\n IMPLICIT NONE\n\nC Includes:\n\nC Arguments:\n\n INTEGER, INTENT( IN ) :: COL ! specified column index\n INTEGER, INTENT( IN ) :: ROW ! specified row index\n INTEGER, INTENT( IN ) :: NLAYS ! # of vertical layers\n REAL, INTENT( IN ) :: DENS( :,:,: )\n REAL, POINTER :: CGRID( :,:,:,: )\n\nC Parameters:\n\n REAL( 8 ), PARAMETER :: NEGLECT_FRAC = 1.0D-9 ! skip if below this volume fraction\n REAL( 8 ), PARAMETER :: ONE_THIRD = 1.0D0/3.0D0 \n REAL, PARAMETER :: ONE_OVER_PI = 1.0 / PI\n\nC Local saved variables:\n\n CHARACTER( 16 ), SAVE :: AE_VRSN ! Aerosol version name\n CHARACTER( 32 ), SAVE :: PNAME = 'GET_AERO_DATA' ! routine name\n\nC Local variables:\n\n CHARACTER( 16 ) :: VNAME ! varable name\n CHARACTER( 96 ) :: XMSG = ' '\n\n REAL( 8 ) :: FACTOR\n REAL( 8 ) :: FRACTION_CORE\n REAL( 8 ) :: FRACTION_SHELL\n REAL( 8 ) :: MOMENT3_PORTION\n REAL( 8 ) :: SUMRI_R_SHELL\n REAL( 8 ) :: SUMRI_I_SHELL\n REAL( 8 ) :: SUMRI_R_CORE\n REAL( 8 ) :: SUMRI_I_CORE\n REAL( 8 ) :: SUMRI_R\n REAL( 8 ) :: SUMRI_I\n\n REAL DGN_CORE ! geometric mean diameters of aerosol core\n REAL VOL ! Total Modal aerosol volume\n REAL VOL_CORE ! Modal aerosol volume of aerosol core\n REAL DGN_SHELL ! geometric mean diameters of aerosol core\n REAL VOL_SHELL ! Modal aerosol volume of aerosol core\n REAL XXLSG ! geometric standard deviation\n REAL MIE_PARAMETER ! Modal Mie parameter\n\nC*** variables for calculating modal averaged properties per layer and lambda\n\n COMPLEX NR_SHELL\n COMPLEX NI_SHELL\n COMPLEX NR_CORE\n COMPLEX NI_CORE\n\n REAL BEXT_MODE ! total aerosol extinction coefficient [ 1/m ]\n REAL BSCAT_MODE ! total aerosol scattering coefficient [ 1/m ]\n REAL GBAR_MODE ! total aerosol asymmetry factor\n REAL BEXT ! total aerosol extinction coefficient [ 1/m ]\n REAL VFAC, BSC ! unit correction factors\n REAL BSCAT ! total aerosol scattering coefficient [ 1/m ]\n REAL G_BAR ! total aerosol asymmetry factor\n REAL INV_LAMBDA ! reciprocal of wavelength [ 1/m ]\n REAL LAMDA_UM ! wavelength [ um ]\n\n INTEGER L, V, N, M ! loop counters\n INTEGER SPC ! species loop counter\n INTEGER MODE ! aerosol mode loop counter\n LOGICAL SUCCESS\n LOGICAL TROUBLE\n LOGICAL, SAVE :: FIRSTCALL = .TRUE.\n\n\n#ifdef verbose_phot\n character( 26 ), allocatable :: lambda_list( : )\n#endif\n \nC-----------------------------------------------------------------------\n\n IF ( N_AE_SPC .LE. 0 ) RETURN\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC Put the grid cell physical data in the block arrays\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\nC *** initialize internal and external dimensions of aerosols\n\n CORE_MOMENT3 = 0.0D+0\n SHELL_MOMENT3 = 0.0D+0\n BLK_AE_VOL = 0.0\n BLK_AE_CONC = 0.0\n AE_DGN_SHELL = 0.0\n AE_DGN_CORE = 0.0\n SUCCESS = .TRUE.\n\n LAY_LOOP1: DO L = 1, NLAYS\n\nC *** extract grid cell concentrations of aero species from CGRID into aerospc_conc \nC *** in aero_data module\nC Also converts dry surface area to wet second moment\n#ifdef sens\n CALL EXTRACT_AERO ( CGRID( COL,ROW,L,: ), .TRUE., CGRID( COL,ROW,:,: ), .FALSE. )\n#else\n CALL EXTRACT_AERO ( CGRID( COL,ROW,L,: ), .TRUE. )\n#endif\n\nC *** extract soa concentrations from CGRID\n AIRDENS = DENS ( COL,ROW,L )\n#ifdef sens\n CALL EXTRACT_SOA ( CGRID( COL,ROW,L,: ), CGRID( COL,ROW,:,: ), .FALSE. )\n#else\n CALL EXTRACT_SOA ( CGRID( COL,ROW,L,: ) )\n#endif\n\nC *** Calculate geometric mean diameters and standard deviations of \"wet\" size distribution\n CALL GETPAR ( .FALSE. )\n\n#ifdef verbose_phot\n if(col .eq. 1 .and. row .eq. 1 .and. l .eq. 1 )then\n do m = 1, n_mode\n write(logdev, 4999)l, m, aeromode_diam( m ),pi6*moment3_conc( m ),\n & aeromode_lnsg( m )\n4999 format('lay = ',i3,' mode = ',i3,' diam = ',es12.4,' pi6*moment3 = ', \n & es12.4,' ae_lsg = ', es12.4)\n end do\n end if\n#endif\n\n DIME_LOOP: DO MODE = 1, N_MODE\n\n FRACTION_CORE = 0.0D+0\n FRACTION_SHELL = 0.0D+0\n \n SPC_LOOP1: DO SPC = 1, N_AEROSPC\n IF ( AEROSPC( SPC )%TRACER ) CYCLE ! skip tracer species\n IF ( AERO_MISSING( SPC,MODE ) ) CYCLE ! skip undefined species\n BLK_AE_CONC( SPC,MODE,L ) = AEROSPC_CONC( SPC,MODE )\n\n MOMENT3_PORTION = M3_FACTOR( SPC ) * REAL( AEROSPC_CONC( SPC,MODE ), 8 )\n IF ( IS_CORE_SPCS( SPC,MODE ) ) THEN \n CORE_MOMENT3( MODE,L ) = CORE_MOMENT3( MODE,L ) + MOMENT3_PORTION\n#ifdef verbose_phot\n if ( col .eq. 1 .and. row .eq. 1 .and. l .eq. 1 ) then\n write(logdev,5007)aerospc( spc )%name( mode ),moment3_portion,\n & core_moment3( mode, l )\n5007 format(a16,1x,'moment3_portion = ',es12.4,1x,'moment3_core = ',es12.4 )\n end if\n#endif \n ELSE \n SHELL_MOMENT3( MODE,L ) = SHELL_MOMENT3( MODE,L ) + MOMENT3_PORTION\n#ifdef verbose_phot\n if ( col .eq. 1 .and. row .eq. 1 .and. l .eq. 1 ) then\n write(logdev,5008)aerospc( spc )%name( mode ),moment3_portion,\n & shell_moment3( mode, l )\n5008 format(a16,1x,'moment3_portion = ',es12.4,1x,'moment3_shell = ',es12.4 )\n end if\n#endif \n END IF \n END DO SPC_LOOP1\n\n\n FRACTION_CORE = CORE_MOMENT3( MODE,L ) / REAL( MOMENT3_CONC( MODE ), 8 )\n FRACTION_SHELL = SHELL_MOMENT3( MODE,L ) / REAL( MOMENT3_CONC( MODE ), 8 )\n\n BLK_AE_LSG ( MODE,L ) = AEROMODE_LNSG( MODE )\n AE_DGN_SHELL( MODE,L ) = AEROMODE_DIAM( MODE )\n\n IF ( FRACTION_CORE .LT. NEGLECT_FRAC ) THEN\n AE_DGN_CORE( MODE,L ) = 0.0\n ELSE\n FACTOR = FRACTION_CORE ** ONE_THIRD\n AE_DGN_CORE( MODE,L ) = REAL( FACTOR * AEROMODE_DIAM( MODE ) )\n END IF\n\n IF ( MOMENT3_CONC( MODE ) .GT. AEROMODE( MODE )%MIN_M3CONC ) THEN\n BLK_AE_VOL( MODE,L ) = PI6 * MOMENT3_CONC( MODE )\n END IF\n\n#ifdef verbose_phot\n if ( col .eq. 1 .and. row .eq. 1 .and. l .eq. 1 ) then\n write(logdev, 5006)l, mode, ae_dgn_core( mode,l ), ae_dgn_shell( mode,l ),\n & blk_ae_vol( mode,l ),blk_ae_lsg( mode,l) \n5006 format('lay = ',i3,' mode = ',i3,' dgn_core = ', es12.4, ' dgn_shell = ', \n & es12.4,' ae_vol = ', es12.4,' ae_lsg = ', es12.4)\n end if\n#endif\n\n END DO DIME_LOOP\n\n END DO LAY_LOOP1\n\nC *** Initialize refractive indices then compute\n\n AE_NR_SHELL = 0.0\n AE_NI_SHELL = 0.0\n AE_NR_CORE = 0.0\n AE_NI_CORE = 0.0\n\n LOOP_WAVE: DO V = 1, NWL\n\n LAMDA_UM = 1.0E-3 * WAVELENGTH( V ) ! convert to micro-meters\n INV_LAMBDA = 1.0E9 / WAVELENGTH( V )\n\n LAY_LOOP2: DO L = 1, NLAYS\n\n REFRAC_LOOP: DO MODE = 1, N_MODE\n\n SUMRI_R_SHELL = 0.0D+0\n SUMRI_I_SHELL = 0.0D+0\n SUMRI_R_CORE = 0.0D+0\n SUMRI_I_CORE = 0.0D+0\n\n SPC_LOOP2: DO SPC = 1, N_AEROSPC\n IF ( AEROSPC( SPC )%TRACER ) CYCLE ! neglect tracer species\n IF ( AERO_MISSING( SPC,MODE ) ) CYCLE ! neglect undefined species\n\n M = REFRACT_INDX_MAP( SPC )\n\n MOMENT3_PORTION = M3_FACTOR( SPC ) * REAL( BLK_AE_CONC( SPC,MODE,L ), 8)\n \n IF ( IS_CORE_SPCS( SPC, MODE ) ) THEN \n \n SUMRI_R_CORE = SUMRI_R_CORE + MOMENT3_PORTION\n & * REAL( REFRACTIVE_INDEX( M )%REAL_PART( MODE,V ), 8)\n SUMRI_I_CORE = SUMRI_I_CORE + MOMENT3_PORTION\n & * REAL( REFRACTIVE_INDEX( M )%IMAG_PART( MODE,V ), 8)\n\n ELSE\n\n SUMRI_R_SHELL = SUMRI_R_SHELL + MOMENT3_PORTION\n & * REAL( REFRACTIVE_INDEX( M )%REAL_PART( MODE,V ), 8)\n SUMRI_I_SHELL = SUMRI_I_SHELL + MOMENT3_PORTION\n & * REAL( REFRACTIVE_INDEX( M )%IMAG_PART( MODE,V ), 8)\n\n END IF\n \n END DO SPC_LOOP2\n\nC *** Update output array values\n \n IF ( CORE_MOMENT3( MODE,L ) .GT. 0.0D0 ) THEN\n AE_NR_CORE ( MODE,L,V ) = REAL( SUMRI_R_CORE / CORE_MOMENT3( MODE,L ) )\n AE_NI_CORE ( MODE,L,V ) = REAL( SUMRI_I_CORE / CORE_MOMENT3( MODE,L ) )\n END IF\n \n IF ( SHELL_MOMENT3( MODE,L ) .GT. 0.0D0 ) THEN\n AE_NR_SHELL ( MODE,L,V ) = REAL( SUMRI_R_SHELL / SHELL_MOMENT3( MODE,L ) )\n AE_NI_SHELL ( MODE,L,V ) = REAL( SUMRI_I_SHELL / SHELL_MOMENT3( MODE,L ) )\n END IF\n \n END DO REFRAC_LOOP\n\nC***loop over mode again for mean modal extinction and scattering properties\n \n G_BAR = 0.0\n BEXT = 0.0\n BSCAT = 0.0\n\n#ifdef verbose_phot_extra\n if ( L .eq. 1 .and. V .eq. 1 ) then\n\n write(LOGDEV, 9501)L, wavelength( V ), ae_dgn_core( m,l ), ae_dgn_shell( m, l ), \n & ae_nr_shell( m,L,V ), ae_ni_shell( m,L,V ), ae_nr_core( m,L,V ), \n & ae_ni_core( m,L,V )\n\n9501 format('layer = ',i2,' lambda = ',es12.4,' dgn_core = ',es12.4,' dgn_shell = ',\n & es12.4,' refract_shell(nr,ni) = ', 2(es12.4,1x),' refract_core = ',\n & 2(es12.4,1x))\n\n end if\n#endif \n\n OPTICS_LOOP: DO MODE = 1, N_MODE\n TROUBLE = .FALSE.\n \n DGN_CORE = AE_DGN_CORE( MODE,L )\n DGN_SHELL = AE_DGN_SHELL( MODE,L )\n \n VOL = BLK_AE_VOL( MODE,L )\n \n NR_SHELL = CMPLX( AE_NR_SHELL( MODE,L,V ), AE_NI_SHELL( MODE,L,V ) )\n\n IF ( AE_NR_SHELL( MODE,L,V ) .LE. 0.0 ) SUCCESS = .FALSE.\n IF ( AE_NI_SHELL( MODE,L,V ) .LE. 0.0 ) SUCCESS = .FALSE.\n \n XXLSG = EXP( BLK_AE_LSG( MODE,L ) )\n\nC***calculate the extinction and scattering coefficients in [ 1 / m ] and the asymmetry \nC*** factor for aerosols.\n\n IF ( DGN_CORE .GT. 0.0 .AND. DGN_CORE / DGN_SHELL .LT. 0.999 ) THEN\n\n VOL_CORE = PI6 * REAL( CORE_MOMENT3( MODE,L ), 4 )\n VOL_SHELL = PI6 * REAL( SHELL_MOMENT3( MODE,L ), 4 )\n\n NR_CORE = CMPLX( AE_NR_CORE( MODE,L,V ), AE_NI_CORE( MODE,L,V ) )\n\n IF ( AE_NR_CORE( MODE,L,V ) .LE. 0.0 ) SUCCESS = .FALSE.\n IF ( AE_NI_CORE( MODE,L,V ) .LE. 0.0 ) SUCCESS = .FALSE.\n\n IF ( VOL_SHELL .LE. 0.0 ) THEN\n SUCCESS = .FALSE.\n! WRITE(6,*)TRIM(PNAME),': VOL_SHELL(',MODE,') = ',VOL_SHELL\n END IF\n\n IF ( VOL_CORE .LE. 0.0 ) THEN\n SUCCESS = .FALSE.\n! WRITE(6,*)TRIM(PNAME),': VOL_CORE(',MODE,') = ',VOL_CORE\n END IF\n\n IF ( DGN_SHELL .LE. 0.0 ) SUCCESS = .FALSE.\n \nC *** Core-Shell case for optics \n IF ( SUCCESS ) CALL AERO_OPTICAL_CS( LAMDA_UM, NR_CORE, NR_SHELL, \n & VOL_CORE, VOL_SHELL, DGN_CORE, \n & DGN_SHELL, XXLSG,\n & BEXT_MODE, BSCAT_MODE, GBAR_MODE, SUCCESS )\n\n VFAC = 1.0 ! correction factor \n\n IF ( .NOT. SUCCESS ) THEN\n \n WRITE( LOGDEV,9503 ) L, MODE, WAVELENGTH( V ), \n & AE_DGN_CORE( MODE,L ), AE_DGN_SHELL( MODE,L ),\n & AE_NR_SHELL( MODE,L,V ), AE_NI_SHELL( MODE,L,V ),\n & AE_NR_CORE( MODE,L,V ), AE_NI_CORE( MODE,L,V ),\n & BLK_AE_LSG( MODE,L )\n \n XMSG = 'FAILURE IN AERO_OPTICAL_CS: core with shell case '\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n \n END IF\n\nC***sum to get total extinction and scattering\nC*** and contribution to the overall asymmetry factor\n\n BEXT = BEXT + BEXT_MODE\n BSCAT = BSCAT + BSCAT_MODE\n G_BAR = G_BAR + BSCAT_MODE * GBAR_MODE\n\n ELSE IF ( VOL .GT. 0.0 ) THEN\n\n!*** FSB Internal Volume mixture case for optics \n SELECT CASE( AEROSOL_OPTICS )\n CASE( 1 )\n CALL AERO_OPTICS_TABULAR( MODE,V,NR_SHELL, VOL, DGN_SHELL,\n & XXLSG, BEXT_MODE, BSCAT_MODE, GBAR_MODE)\n VFAC = 1.0 ! correction factor\n CASE( 2 )\n IF ( SUCCESS ) CALL AERO_OPTICAL2( LAMDA_UM, NR_SHELL, VOL, \n & DGN_SHELL, XXLSG,\n & BEXT_MODE, BSCAT_MODE, GBAR_MODE, SUCCESS )\n VFAC = 1.0 ! correction factor \n CASE DEFAULT ! AEROSOL_OPTICS equals 3\n! use old fast optics method\n IF ( SUCCESS ) CALL FAST_OPTICS( AE_NR_SHELL( MODE, L, V ), \n & AE_NI_SHELL( MODE, L, V ), \n & WAVELENGTH( V ), DGN_SHELL, XXLSG, \n & BEXT_MODE, BSCAT_MODE, GBAR_MODE )\n VFAC = VOL * INV_LAMBDA\n! updated fast optics method; has problems from eposidically infinite values of aerosol optical depth\n! MIE_PARAMETER = PI * DGN_SHELL * INV_LAMBDA\n! & * EXP( 3.0 * BLK_AE_LSG( MODE, L ) * BLK_AE_LSG( MODE, L ) )\n! IF( SUCCESS ) CALL FASTER_OPTICS( AE_NR_SHELL( MODE, L, V ), \n! & AE_NI_SHELL( MODE, L, V ), \n! & MIE_PARAMETER, BLK_AE_LSG( MODE, L ), \n! & BEXT_MODE, BSCAT_MODE, GBAR_MODE )\n! VFAC = VOL * INV_LAMBDA\n END SELECT\n \n IF ( BEXT_MODE .LT. 0.0 .OR. BEXT_MODE .LT. BSCAT_MODE .OR. BSCAT_MODE .LT. 0.0 ) THEN\n TROUBLE = .TRUE.\n END IF\n\n IF ( BEXT_MODE .NE. BEXT_MODE .OR. BSCAT_MODE .NE. BSCAT_MODE ) THEN\n TROUBLE = .TRUE.\n END IF\n\n IF ( GBAR_MODE .NE. GBAR_MODE .OR. ABS( GBAR_MODE ) .GT. 0.9999999 ) THEN\n TROUBLE = .TRUE.\n END IF\n\n9402 format('layer = ',i2,' lambda = ',es12.4,' dgn_core = ',es12.4,' dgn_shell = ',\n & es12.4,' ae_bext = ',es12.4,' ae_bscat = ',es12.4,' ae_gbar = ',es12.4,\n & ' refract_shell(nr,ni) = ', 2(es12.4,1x),' refract_core = ', 2(es12.4,1x))\n\n IF ( TROUBLE ) THEN\n\n write(logdev, 9402)l, wavelength( V ), dgn_core, dgn_shell, bext_mode, \n & bscat_mode, gbar_mode, ae_nr_shell( mode, l, v ), ae_ni_shell( mode, l, v ),\n & ae_nr_core( mode, l, v ), ae_ni_core( mode, l, v )\n! write(6, 9402)l, wavelength( V ), dgn_core, dgn_shell, bext_mode, \n! & bscat_mode, gbar_mode, ae_nr_shell( mode, l, v ), ae_ni_shell( mode, l, v ),\n! & ae_nr_core( mode, l, v ), ae_ni_core( mode, l, v )\n\n WRITE( LOGDEV, 9504 ) L, MODE, WAVELENGTH( V ), \n & AE_DGN_SHELL( MODE,L ), AE_NR_SHELL( MODE,L,V ),\n & AE_NI_SHELL( MODE,L,V ), BLK_AE_VOL( MODE,L ),\n & BLK_AE_LSG( MODE,L )\n \n XMSG = 'FAILURE IN AERO_OPTICAL2: shell only case '\n CALL M3WARN( PNAME, 0, 0, XMSG )\n \n END IF\n\n IF ( .NOT. SUCCESS ) THEN\n\n write(logdev, 9402)l, wavelength( V ), dgn_core, dgn_shell, bext_mode, \n & bscat_mode, gbar_mode, ae_nr_shell( mode, l, v ), ae_ni_shell( mode, l, v ),\n & ae_nr_core( mode, l, v ), ae_ni_core( mode, l, v )\n! write(6, 9402)l, wavelength( V ), dgn_core, dgn_shell, bext_mode, \n! & bscat_mode, gbar_mode, ae_nr_shell( mode, l, v ), ae_ni_shell( mode, l, v ),\n! & ae_nr_core( mode, l, v ), ae_ni_core( mode, l, v )\n\n WRITE( LOGDEV, 9504) L, MODE, WAVELENGTH( V ), \n & AE_DGN_SHELL( MODE,L ), AE_NR_SHELL( MODE,L,V ),\n & AE_NI_SHELL( MODE,L,V ), BLK_AE_VOL( MODE,L ),\n & BLK_AE_LSG( MODE,L )\n \n XMSG = 'FAILURE IN AERO_OPTICAL2: shell only case '\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n \n END IF\n\nC***sum to get total extinction and scattering\nC*** and contribution to the overall asymmetry factor\n\n BEXT = BEXT + VFAC * BEXT_MODE\n BSC = VFAC * BSCAT_MODE\n BSCAT = BSCAT + BSC\n G_BAR = G_BAR + BSC * GBAR_MODE\n\n END IF \n\n END DO OPTICS_LOOP\n\n AERO_SCAT_COEF( L,V ) = MAX( BSCAT,1.0E-30 )\n AERO_EXTI_COEF( L,V ) = MAX( BEXT, 1.0E-30 )\n AERO_ABSO_COEF( L,V ) = MAX( (BEXT-BSCAT), 1.0E-30 )\n AERO_ASYM_FAC ( L,V ) = G_BAR / MAX( BSCAT, 1.0E-30 )\n\n#ifdef verbose_phot_extra\n if( l .eq. 1 .and. v .eq. 1)then\n write(logdev, 9502)l, wavelength( V ), dgn_core, dgn_shell, bext_mode, \n & bscat_mode, gbar_mode, ae_nr_shell( l, mode, v ), ae_ni_shell( v, mode, v ),\n & ae_nr_core( l, mode, iv ), ae_ni_core( l, mode, v )\n9502 format('layer = ',i2,' lambda = ',es12.4,' dgn_core = ',es12.4,' dgn_shell = ',\n & es12.4,' ae_bext = ',es12.4,' ae_bscat = ',es12.4,' ae_gbar = ',es12.4,\n & ' refract_shell(nr,ni) = ', 2(es12.4,1x),' refract_core = ', 2(es12.4,1x))\n end if\n#endif \n\n END DO LAY_LOOP2 \n\n END DO LOOP_WAVE\n\n IF( CALCULATE_EXT_550 )THEN\n! IF( USE_ANGSTROM_INTERP .AND. FIRSTCALL )THEN\n! WRITE(LOGDEV,'(A,2(F7.3,1X))')'Angstrom Interpolation Wavelengths: ', \n! & WAVELENGTH( IWL_ANGSTROM_LOWER ), WAVELENGTH( IWL_ANGSTROM_UPPER )\n! WRITE(LOGDEV,'(A,2(ES12.4,1X))')'Angstrom Span, Ratio: ', \n! & ANGSTROM_SPAN, ANGSTROM_RATIO\n! END IF\n LOOP_550NM: DO L = 1, NLAYS\n IF( USE_ANGSTROM_INTERP )THEN\n! ANGSTROM_EXPONENT = - REAL( LOG( AERO_EXTI_COEF( L,IWL_ANGSTROM_LOWER ) \n! & / AERO_EXTI_COEF( L,IWL_ANGSTROM_UPPER ) ), 8 )\n\n ANGSTROM_EXPONENT = - REAL( LOG( MAX( AERO_EXTI_COEF( L,IWL_ANGSTROM_LOWER ),1.0E-30 )\n & / MAX( AERO_EXTI_COEF( L,IWL_ANGSTROM_UPPER ),1.0E-30 ) ), 8 )\n & * ANGSTROM_SPAN\n\n AERO_EXTI_550( L ) = AERO_EXTI_COEF( L,IWL_ANGSTROM_LOWER ) \n & * REAL( ANGSTROM_RATIO ** ANGSTROM_EXPONENT, 4 )\n\n ANGSTROM_EXPONENT = - REAL( LOG( MAX( AERO_SCAT_COEF( L,IWL_ANGSTROM_LOWER ),1.0E-30 )\n & / MAX( AERO_SCAT_COEF( L,IWL_ANGSTROM_UPPER ),1.0E-30 ) ), 8 )\n & * ANGSTROM_SPAN\n\n AERO_ABSO_550( L ) = MAX( AERO_EXTI_550( L ) \n & - AERO_SCAT_COEF( L,IWL_ANGSTROM_LOWER )\n & * REAL( ANGSTROM_RATIO ** ANGSTROM_EXPONENT, 4 ), 0.0 )\n\n! IF ( FIRSTCALL ) THEN\n! WRITE( LOGDEV,'(I3,A,7(ES12.4,1X))')L,\n! & ' AERO_EXT_LOWER,AERO_EXT_UPPER,EXPONENT,EXPONENT*LOG(RATIO),EXT_550_1,EXT_550_2: ',\n! & AERO_EXTI_COEF( L,IWL_ANGSTROM_LOWER ), AERO_EXTI_COEF( L,IWL_ANGSTROM_UPPER ),\n! & ANGSTROM_EXPONENT,REAL( ANGSTROM_EXPONENT * LOG_ANGSTROM_RATIO,4),AERO_EXTI_550( L ),\n! & AERO_EXTI_COEF( L,IWL_ANGSTROM_LOWER)*ANGSTROM_RATIO ** ANGSTROM_EXPONENT\n! END IF\n ELSE\n AERO_EXTI_550( L ) = AERO_EXTI_COEF( L,IWL_ANGSTROM_LOWER )\n END IF\n END DO LOOP_550NM\n! IF ( FIRSTCALL ) FIRSTCALL = .FALSE.\n END IF \n \n#ifdef verbose_phot\n if ( col .eq. 1 .and. row .eq. 1 ) then\n l = 1\n v = 1\n do mode = 1, n_mode\n write(logdev, 5005)l, mode, v, ae_nr_core ( mode, l, v ), ae_ni_core ( mode, l, v ),\n & ae_nr_shell ( mode, l, v ), ae_ni_shell ( mode, l, v )\n5005 format('lay = ',i3,' mode = ',i3,' wlv index = ',i3,' ae_core(nr,ni) = ',\n & 2(es12.4,1x), ' ae_shell(nr,ni) = ', 2(es12.4,1x))\n end do\n end if\n#endif\n\n9503 FORMAT('LAYER = ',I3,' MODE = ',I3,' LAMBDA(nm) = ',ES12.4,' DGN_CORE(m) = ',ES12.4,\n & ' DGN_SHELL(m) = ', ES12.4 / ' REFRACT_IDX_SHELL(NR,NI) = ', 2(ES12.4,1X),\n & ' REFRACT_IDX_CORE(NR,NI) = ', 2(ES12.4,1X) / ' LN(GEO.STD.DEV.) = ',\n & ES12.4)\n9504 FORMAT('LAYER = ',I3,' MODE = ',I3,' LAMBDA(nm) = ',ES12.4,' DGN(m) = ',ES12.4,\n & ' REFRACT_IDX(NR,NI) = ', 2(ES12.4,1X) / ' VOL.DENS. = ', ES12.4,\n & ' LN(GEO.STD.DEV.) = ', ES12.4)\n\n RETURN\n END SUBROUTINE GET_AERO_DATA\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE FASTER_OPTICS ( NR, NI, ALPHV, XLNSIG, BETA_EXT, BETA_SCAT, G )\nC-----------------------------------------------------------------------\nC A parameterization of the aerosol extinction and scattering code\nC Coded by Dr. Francis S. Binkowski\nC CEMP, The Institute for the Environment\nC The University of North Carolina at Chapel Hill\nC email: frank_binkowski@unc.edu\nC Code dates. Began February 25, 2005, current March 18, 2005\nC modified by FSB May 10, 2005 to calculate asymmetry factor by the\nC semi-empirical method of Hanna and Mathur. Note that\nC the normalized scattering coefficient (non-dimensional) is\nC interpreted as an average of scattering efficiency over the\nC size distribution\nC Modified 05/25/2005 to ensure that if ni = 0.0, that\nC beta_scat = beta_ext.\nC Modified 03/17/2008 to ensure match with reference calculation for\nC all cases of sigma_g.\nC Modified 10/25/2009 to be consistent with research version of code.\nC The modifications include better representation of the\nC asymmetry factor.\nC The form of the mathematical expression for extinction\nC and scattering is based upon that of\nC Heintzenberg & Baker (1976), and further inspired by the work\nC of Willeke and Brockmann(1977) who showed the basic shape of\nC the extinction resulting from an integration of the Mie extinction\nC efficiency over a log normal particle size distribution.\nC This current code has been developed from a direct calculation of\nC extinction and scattering using a Mie code integrated over\nC a log normal distribution. The results of that calculation\nC replicate the Willee and Brockmann (1977) results.\nC The parameterization is based upon a fit to the standard CMAQ\nC radiative transfer code for visibility. to which a module for\nC absorption was added so that absorption and scattering would also be\nC available.\nC\nC The shape has been modified for absorption by small particles\nC by using the formulae of Penndorf (1962). For large particles,\nC the shape has been altered by using the large sphere values from\nC Table I of Irvine (1965)\nC\nC Results are consistent with those of Willeke and Brockmann (1977).\nC\nC The asymmetry factor is calculated by a new algorithm FSB - 04/04/2008\nC Sept 2014: J.Young-change arguments and usage of Mie Paramater attempting\nC to optimize runtimes or efficiency\nC Oct 2014: B.Hutzell-Added mininum values for scatttering efficiency for small\nC highly absorbing particles such as Aitken particle that\nC are mostly composed of elemental carbon\nC\nC References:\nC\nC Heintzenberg, J. and M. Baker, Spherical particle populations:\nC approximate analytic relationship between size distribution\nC parameters and integral optical properties, Applied Optics,\nC Volume 15, Number 5 pp 1178-1181, May 1976.\nC\nC Irvine, W. M. Light Scattering by spherical particles: Radiation\nC pressure, asymmetry factor, and extinction cross section,\nC Journal of eh Optical Society of Amerioca, Vol. 55, NO. 1,\nC January ,1965\nC\nC Penndorf, R. Scattering and Extinction Coefficeints for small\nC spherical particles, J. Atmospheric Sciences, Volume 19, p 193,\nC March 1962.\nC\nC Willeke, K. and J. E. Brockmann, Extinction coefficients for\nC multmodal atmospheric particle size distributions, Atmospheric\nC Environment, vol. 11, pp 95-999, 1977.\nC-----------------------------------------------------------------------\n\n IMPLICIT NONE\n\n INCLUDE SUBST_CONST ! physical constants\n\nC***arguments\n\n REAL, INTENT( IN ) :: NR, NI ! indices of refraction\n REAL, INTENT( IN ) :: ALPHV ! Mie parameter for dgv\n REAL, INTENT( IN ) :: XLNSIG ! log of geometric standard deviation\n\n REAL, INTENT( OUT ) :: BETA_EXT ! normalized extinction coefficient\n REAL, INTENT( OUT ) :: BETA_SCAT ! normalized scattering coefficient\n REAL, INTENT( OUT ) :: G ! asymmetry factor\n\nC***internal variables\n\n REAL NR1, NR2, TAU\n REAL C, CEXT, CSCAT\n REAL B, BEXT, BSCAT\n REAL BBFAC\n REAL ALPHA_I\n REAL A, LOGX2, XLNSIG2, MM1\n\n REAL, PARAMETER :: SIGMA_G_TWO = 2.0\n REAL, PARAMETER :: LOGSIG_TWO = 0.693147\n REAL, PARAMETER :: LOGSIG_TWO_SQD = LOGSIG_TWO * LOGSIG_TWO\n REAL, PARAMETER :: LOGSIG_105 = 1.102500\n REAL, PARAMETER :: DIFFSIG = SIGMA_G_TWO - 1.05\n REAL, PARAMETER :: A_TWO = 0.5 / LOGSIG_TWO_SQD\n REAL LARGESCAT ! large sphere limit for scattering\n REAL LARGEEXT ! large sphere limit for extinction\n REAL SMALL_G, LARGE_G\n\n REAL ALPHV2, ALPHV3\n REAL X_ALPHA, X_ALPHA2, X_ALPHA3\n REAL SIGMA_G, FCORR\n REAL EXPFAC2, EXPFAC3\n REAL EFAC, EFAC_EXT, EFAC_SCAT\n REAL DEN1, FAC1, FAC2\n REAL F1, F2, F3\n REAL G1, G2, G3, G4, G5\n REAL NN, TT\n\n REAL T1F1, T2F1, T1F2, T2F2, T1F3, T2F3\n REAL T1G1, T2G1, T1G2, T2G2, T1G3, T2G3, T1G4, T2G4\n REAL T1G5, T2G5, T1P1, T2P1\n\nC***the following are for calculating the Penndorff Coefficients\n\n REAL PENN1, A1, A2, A3, PENN2\n REAL XNR, XNI, XNR2, XNI2, XNRI, XNRI2, XNRMI\n REAL XRI, XRI2, XRI36, XNX, XNX2\n REAL Z1, Z12, Z2, XC1\n\nC***coefficients for polynomials\n\n REAL, PARAMETER :: F1A0 = -1.309193E-1\n REAL, PARAMETER :: F1A1 = 2.565668E+0\n\n REAL, PARAMETER :: F2A0 = 1.489233E+1\n REAL, PARAMETER :: F2A1 = -5.311351E+1\n REAL, PARAMETER :: F2A2 = 8.180334E+1\n REAL, PARAMETER :: F2A3 = -4.549854E+1\n\n REAL, PARAMETER :: F3A0 = 5.549359E-1\n REAL, PARAMETER :: F3A1 = 2.571002E-1\n REAL, PARAMETER :: F3A2 = 9.212703E-1\n REAL, PARAMETER :: F3A3 = 5.155047E-2\n\n REAL, PARAMETER :: G1A0 = 1.000000E+0\n REAL, PARAMETER :: G1A1 = -7.636121E-1\n REAL, PARAMETER :: G1A2 = 1.285532E+0\n REAL, PARAMETER :: G1A3 = 1.629161E-2\n\n REAL, PARAMETER :: G2A0 = 1.000000E+0\n REAL, PARAMETER :: G2A1 = -2.507954E+0\n REAL, PARAMETER :: G2A2 = 5.170246E+0\n REAL, PARAMETER :: G2A3 = -4.945515E+0\n\n REAL, PARAMETER :: G3A0 = 1.000000E+0\n REAL, PARAMETER :: G3A1 = -2.650134E+0\n REAL, PARAMETER :: G3A2 = 4.515327E+0\n REAL, PARAMETER :: G3A3 = -4.027442E+0\n\n REAL, PARAMETER :: G4A0 = 1.000000E+0\n REAL, PARAMETER :: G4A1 = -8.532647E-1\n REAL, PARAMETER :: G4A2 = 6.766073E-1\n\n REAL, PARAMETER :: G5A0 = 1.0\n REAL, PARAMETER :: G5A1 = -6.674946E-1\n REAL, PARAMETER :: G5A2 = -5.426378E-1\n\nC *** Coefficients for quadratic fit for large particles\nC from Irvine (1965) Table I\n REAL, PARAMETER :: IRVA0 = 1.076232E+0\n REAL, PARAMETER :: IRVA1 = -4.891972E-2\n REAL, PARAMETER :: IRVA2 = -2.243449E-2\n\n\nC FSB Coefficients for SMALL_G calculation\n REAL, PARAMETER :: XXA0 = 3.392224E-2\n REAL, PARAMETER :: XXA1 = 8.276532E-1\n REAL, PARAMETER :: XXA2 = -3.784926E-1\n REAL, PARAMETER :: XXA3 = 5.853108E-2\n REAL, PARAMETER :: G_ALPHA_I = XXA0 + XXA1 + XXA2 + XXA3\n\nC FSB Coefficients for LARGE_G calculation\n REAL, PARAMETER :: YYA0 = 6.776173E-1\n REAL, PARAMETER :: YYA1 = 2.385339E-2\n REAL, PARAMETER :: YYA2 = -7.952263E-4\n REAL, PARAMETER :: YYA3 = 9.410370E-6\n\nC FSB Coefficientf for adjusting asymmetry factor calculation\n REAL, PARAMETER :: CXG0 = -5.845196E-2\n REAL, PARAMETER :: CXG1 = 3.229183E-1\n REAL, PARAMETER :: CXG2 = 2.764716E-1\n REAL, PARAMETER :: CXG3 = -8.790411E-2\n\nC***FSB added for asymmetry factor calculation\n\n REAL QSCAT_AVG\n\n REAL, PARAMETER :: AA0 = 88.466\n REAL, PARAMETER :: AA1 = -61.628\n REAL, PARAMETER :: AA2 = 34.483\n REAL, PARAMETER :: AA3 = -8.543\n REAL, PARAMETER :: AA4 = 0.77435\n\n REAL GMAX\n REAL QANGLE\n REAL QQ, QF1, QF2, QF3\n REAL QQSUM, QQF1,QQF2, QQF3, QQCORR\n\n REAL, PARAMETER :: DEGTORAD = PI180\n REAL, PARAMETER :: THREE_PI_TWO = 3.0 * PI / 2.0\n\nC***FSB start calculation\n SIGMA_G = EXP( XLNSIG )\nC FSB check range of SIGMA_G\nC *** Maximum value of SIGMA_G allowed is 2.0\n SIGMA_G = MIN( 2.0, SIGMA_G )\nC *** Minimum allowed value fo SIGMA_F is 1.05\n SIGMA_G = MAX( 1.05, SIGMA_G )\n\n XLNSIG2 = XLNSIG * XLNSIG\n A = 0.5 / XLNSIG2\n\n NR1 = NR - 1.0\n NR2 = NR * NR\n\nC***evaluate polynomials\nC*** optimize for piplined microprocessor\nC*** appproach recommended by Dr. Carlie Coats\n\n NN = NR1 * NR1\n\n T1F1 = F1A0 + F1A1 * NR1\n T1F2 = F2A0 + F2A1 * NR1\n T2F2 = F2A2 + F2A3 * NR1\n T1F3 = F3A0 + F3A1 * NR1\n T2F3 = F3A2 + F3A3 * NR1\n\n F1 = T1F1 ! linear\n F2 = T1F2 + T2F2 * NN ! cubic\n F3 = T1F3 + T2F3 * NN ! cubic\n\n C = F1\n\nC FSB correct for values of SIGMA_ less than 2.0.\nC The smallest value of SIGMA_G allowed is 1.05\nC 2.0 - 1.05 = 0.95\nC FCORR = (1.0 - 0.13 * (SIGMA_G - 1.05) / 0.95 )\nC 1.0 / 0.95 = 1.052632. 1.0 / 0.95 * 0.13 = 0.136842\n\n FCORR = 1.0 - 0.136842 * ( SIGMA_G - 1.05 )\n\n CEXT = C * FCORR\n CSCAT = CEXT\n B = F3 * A_TWO\n ALPHA_I = F2\n BEXT = B\n BSCAT = B\n PENN1 = 0.0\n PENN2 = 0.0\n\n ALPHV2 = ALPHV * ALPHV\n ALPHV3 = ALPHV2 * ALPHV\n\n IF ( NI .GT. 0.0 ) THEN\n\n TAU = NI / NR1\n\nC***evaluate more polynomials\nC*** optimize for piplined microprocessor\nC*** appproach recommended by Dr. Carlie Coats\n\n TT = TAU * TAU\n T1G1 = G1A0 + G1A1 * TAU\n T2G1 = G1A2 + G1A3 * TAU\n T1G2 = G2A0 + G2A1 * TAU\n T2G2 = G2A2 + G2A3 * TAU\n T1G3 = G3A0 + G3A1 * TAU\n T2G3 = G3A2 + G3A3 * TAU\n T1G4 = G4A0 + G4A1 * TAU\n T2G4 = G4A2 ! quadratic\n T1G5 = G5A0 + G5A1 * TAU\n T2G5 = G5A2 ! quadratic\n G1 = T1G1 + T2G1 * TT\n G2 = T1G2 + T2G2 * TT\n G3 = T1G3 + T2G3 * TT\n G4 = T1G4 + T2G4 * TT\n G5 = T1G5 + T2G5 * TT\n\nC *** adjust the variables\n\n CEXT = CEXT * G1\n CSCAT = CSCAT * G2\n BEXT = BEXT * G3\n BSCAT = BSCAT * G4\n ALPHA_I = ALPHA_I * G5\n\nC*** Calculate the Penndorf Coefficients for the small particle limit\n\n XNR = NR\n XNI = NI\n XNR2 = XNR * XNR\n XNI2 = XNI * XNI\n XNRI = XNR2 + XNI2\n XNRI2 = XNRI * XNRI\n XNRMI = XNR2 - XNI2\n XRI = XNR * XNI\n XRI2 = XRI * XRI\n XRI36 = 36.0 * XRI2\n XNX = XNRI2 + XNRMI - 2.0\n XNX2 = XNX * XNX\n\n Z1 = XNRI2 + 4.0 * XNRMI + 4.0\n Z12 = Z1 * Z1\n Z2 = 4.0 * XNRI2 + 12.0 * XNRMI + 9.0\n XC1 = 8.0 / ( 3.0 * Z12 )\n A1 = 24.0 * XRI / Z1\n\n A2 = 4.0 * XRI / 15.0 + 20.0 * XRI / ( 3.0 * Z2 ) +\n & 4.8 * XRI * ( 7.0 * XNRI2 +\n & 4.0 * ( XNRMI - 5.0 ) ) / Z12\n\n A3 = XC1 * ( XNX2 - XRI36 )\n\n! ALPHV2 = ALPHV * ALPHV\n! ALPHV3 = ALPHV2 * ALPHV\n EXPFAC2 = EXP( 2.0 * XLNSIG2 )\n EXPFAC3 = EXP( 4.5 * XLNSIG2 )\n\n T1P1 = A1 + A2 * ALPHV2 * EXPFAC2\n T2P1 = A3 * ALPHV3 * EXPFAC3\n\nC***PENN1 is the analytic integral of the Pendorff formulae over\nC*** a log normal particle size distribution.\n\n PENN1 = THREE_PI_TWO * ( T1P1 + T2P1 )\n PENN2 = THREE_PI_TWO * T2P1\n\n END IF ! test for ni > 0.0\n\n X_ALPHA = ALPHV / ALPHA_I\n\n! LOGX2 = LOG( X_ALPHA )** 2\n LOGX2 = LOG( X_ALPHA )\n LOGX2 = LOGX2 * LOGX2\n\n BBFAC = BEXT * A / ( BEXT + A )\n\n EFAC_EXT = EXP( -BBFAC * LOGX2 )\n\nC***FSB calculate normalized extinction and scattering coefficients\n\n BETA_EXT = THREE_PI_TWO * CEXT\n & * SQRT( A / ( BEXT + A ) ) * EFAC_EXT\n\n BETA_SCAT = BETA_EXT ! NI = 0.0 case\n\nC *** Check for NI > 0.0\n\n IF ( NI .GT. 0.0 ) THEN\n\n! BBFAC = 1.5 * BBFAC ! reset BBFAC for scattering\n BBFAC = 1.1 * BBFAC ! reset BBFAC for scattering\n\n EFAC_SCAT = EXP( -BBFAC * LOGX2 )\n\nC *** recalculate the normalized scattering coefficient\n\n BETA_SCAT = THREE_PI_TWO * CSCAT\n & * SQRT( A / ( BSCAT + A ) ) * EFAC_SCAT\n\nC *** Adjust beta_ext for small particle absorption:\n\n IF ( X_ALPHA .LT. 0.13 ) THEN\n\n FAC1 = ALPHV + 0.6 * ALPHV2\n\n BETA_EXT = MAX( BETA_EXT,\n & ( BETA_EXT * FAC1 + ( 1.0 - FAC1 ) * PENN1 ) )\n\n BETA_SCAT = MAX( BETA_SCAT,\n & ( BETA_SCAT * FAC1 + ( 1.0 - FAC1 ) * PENN2 ) )\n\n END IF ! test for XALPHA < 0.13\n\n! small highly absorbing particles such as a Tyndall scatterers such as\n! described in Jacobson (1999) in Fundmentals of Atmospheric Modeling. This\n! is approximately consistent with Penndorf (1962).\n\n BETA_SCAT = MAX( 0.001 * BETA_EXT, BETA_SCAT )\n\n END IF ! test for NI > 0.0\n\nC *** Calculate large sphere limits(Irvine, 1965)\n\n MM1 = EXP( 0.5 * XLNSIG2 ) / ALPHV\n\nC FSB large sphere limit - scattering\n\n LARGESCAT = THREE_PI_TWO * ( 8.652439E-01 + 1.501772E-01 * NR ) * MM1\n\nC FSB large spnere limit for extinction ( no edge effects )\n\n LARGEEXT = THREE_PI_TWO * ( 2.0 * MM1 )\n\nC FSB Adjust for large sphere limits\n\n IF ( ALPHV .GE. 10.0 ) THEN\n\n BETA_EXT = MAX( BETA_EXT, LARGEEXT )\n\n BETA_SCAT = MAX( BETA_SCAT, LARGESCAT )\n\n END IF ! test for 10.0 < ALPHV\n\nC***FSB now calculate the asymmetry factor\nC*** using the Hanna-Mathur quasi-empirical method\n! GMAX = 0.0\n\n! QSCAT_AVG = BETA_SCAT\n! QANGLE = AA0\n\n! IF ( QSCAT_AVG .GT. 1.0E-4 ) THEN\n! QQ = QSCAT_AVG * QSCAT_AVG\n! QF1 = AA0 + AA1 * QSCAT_AVG\n! QF2 = AA2 + AA3 * QSCAT_AVG\n! QF3 = AA4 * QSCAT_AVG * QSCAT_AVG\n! QANGLE = QF1 + QF2 * QQ + QF3 * QQ\n! END IF\n\n! QANGLE = DEGTORAD * QANGLE\n! G = COS( QANGLE) ! asymmetry factor\n\nC***FSB now calculate the asymmetry factor\nC*** using a parametric fit to Mie calculations\n\n X_ALPHA2 = X_ALPHA * X_ALPHA\n X_ALPHA3 = X_ALPHA2 * X_ALPHA\n\n SMALL_G = 0.0\n LARGE_G = 0.0\n\n IF ( ALPHV .LT. 2.6 ) THEN\n\nC FSB Calculate SMALL_G for sigma_g = 2.0\n\n QF1 = XXA0 + XXA1 * ALPHV\n QF2 = XXA2 * ALPHV2\n QF3 = XXA3 * ALPHV3\n SMALL_G = QF1 + QF2 + QF3 ! valid at sigma_g = 2.0\n\nC FSB adjust SMALL_G for values less than 2.0\nC The smallest sigma_g allowed is 1.05\n\n QQF1 = CXG0 + CXG1 * ALPHV\n QQF2 = CXG2 * ALPHV2\n QQF3 = CXG3 * ALPHV3\n QQSUM = QQF1 + QQF2 + QQF3\n FAC1 = 1.052632 * ( 2.0 - SIGMA_G )\n QQSUM = MAX( 0.0, QQSUM )\n QQCORR = ( 1.0 - FAC1 ) + FAC1 * QQSUM\n SMALL_G = SMALL_G * QQCORR\n G = SMALL_G\n\n ELSE IF ( ALPHV .LT. 100.0 ) THEN\n\n QF1 = YYA0 + YYA1 * X_ALPHA\n QF2 = YYA2 * X_ALPHA2\n QF3 = YYA3 * X_ALPHA3\n LARGE_G = QF1 + QF2 + QF3\n G = LARGE_G\n\n ELSE\n\nC Very large sphere limit from fit to Irvine (1965).\n\n G = 1.124484 - 1.153869E-01 * NR\n\n END IF\n\n RETURN\n END SUBROUTINE FASTER_OPTICS\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE FAST_OPTICS( NR, NI, LAMBDA, DGN, SIGMA_G, BETA_EXT, BETA_SCAT, G )\nC-----------------------------------------------------------------------\nC A parameterization of the aerosol extinction and scattering code\nC Coded by Dr. Francis S. Binkowski\nC CEMP, The Institute for the Environment\nC The University of North Carolina at Chapel Hill\nC email: frank_binkowski@unc.edu\nC Code dates. Began February 25, 2005, current March 18, 2005\nC modified by FSB May 10, 2005 to calculate asymmetry factor by the\nC semi-empirical method of Hanna and Mathur. Note that\nC the normalized scattering coefficient (non-dimensional) is\nC interpreted as an average of scattering efficiency over the\nC size distribution\nC Modified 05/25/2005 to ensure that if ni = 0.0, that\nC beta_scat = beta_ext.\nC Modified 03/17/2008 to ensure match with reference calculation for\nC all cases of sigma_g.\nC Modified 10/25/2009 to be consistent with research version of code.\nC The modifications include better representation of the\nC asymmetry factor.\nC The form of the mathematical expression for extinction\nC and scattering is based upon that of\nC Heintzenberg & Baker (1976), and further inspired by the work\nC of Willeke and Brockmann(1977) who showed the basic shape of\nC the extinction resulting from an integration of the Mie extinction\nC efficiency over a log normal particle size distribution.\nC This current code has been developed from a direct calculation of\nC extinction and scattering using a Mie code integrated over\nC a log normal distribution. The results of that calculation\nC replicate the Willee and Brockmann (1977) results.\nC The parameterization is based upon a fit to the standard CMAQ\nC radiative transfer code for visibility. to which a module for\nC absorption was added so that absorption and scattering would also be\nC available.\nC\nC The shape has been modified for absorption by small particles\nC by using the formulae of Penndorf (1962). For large particles,\nC the shape has been altered by using the large sphere values from\nC Table I of Irvine (1965)\nC\nC Results are consistent with those of Willeke and Brockmann (1977).\nC\nC The asymmetry factor is calculated by a new algorithm FSB - 04/04/2008\nC\nC Oct 2014: B.Hutzell-Added mininum values for scatttering efficiency for small\nC highly absorbing particles such as Aitken particle that\nC are mostly composed of elemental carbon\nC\nC References:\nC\nC Heintzenberg, J. and M. Baker, Spherical particle populations:\nC approximate analytic relationship between size distribution\nC parameters and integral optical properties, Applied Optics,\nC Volume 15, Number 5 pp 1178-1181, May 1976.\nC\nC Irvine, W. M. Light Scattering by spherical particles: Radiation\nC pressure, asymmetry factor, and extinction cross section,\nC Journal of eh Optical Society of Amerioca, Vol. 55, NO. 1,\nC January ,1965\nC\nC Penndorf, R. Scattering and Extinction Coefficeints for small\nC spherical particles, J. Atmospheric Sciences, Volume 19, p 193,\nC March 1962.\nC\nC Willeke, K. and J. E. Brockmann, Extinction coefficients for\nC multmodal atmospheric particle size distributions, Atmospheric\nC Environment, vol. 11, pp 95-999, 1977.\nC-----------------------------------------------------------------------\n\n IMPLICIT NONE\n\nC***include files\n\n INCLUDE SUBST_CONST ! physical constants\n\nC***arguments\n\n REAL, INTENT( IN ) :: NR, NI ! indices of refraction\n REAL, INTENT( IN ) :: LAMBDA ! wavelength, nm\n REAL, INTENT( IN ) :: DGN ! geometric mean diameter, m\n REAL, INTENT( INOUT ) :: SIGMA_G ! geometric standard deviation\n\n REAL, INTENT( OUT ) :: BETA_EXT ! normalized extinction coefficient\n REAL, INTENT( OUT ) :: BETA_SCAT ! normalized scattering coefficient\n REAL, INTENT( OUT ) :: G ! asymmetry factor\n\nC***internal variables\n\n REAL NR1, NR2, TAU\n REAL C, CEXT, CSCAT\n REAL B, BEXT, BSCAT\n REAL BBFAC\n REAL ALPHV\n REAL ALPHA_I\n REAL A, LOGX2, XLNSIG, XLNSIG2, MM1\n\n REAL, PARAMETER :: SIGMA_G_TWO = 2.0\n REAL, PARAMETER :: LOGSIG_TWO = 0.693147\n REAL, PARAMETER :: LOGSIG_TWO_SQD = LOGSIG_TWO * LOGSIG_TWO\n REAL, PARAMETER :: LOGSIG_105 = 1.102500\n REAL, PARAMETER :: DIFFSIG = SIGMA_G_TWO - 1.05\n REAL, PARAMETER :: A_TWO = 0.5 / LOGSIG_TWO_SQD\n REAL LARGESCAT ! large sphere limit for scattering\n REAL LARGEEXT ! large sphere limit for extinction\n REAL SMALL_G, LARGE_G\n\n REAL ALPHV2, ALPHV3\n REAL X_ALPHA, X_ALPHA2, X_ALPHA3\n REAL FCORR\n REAL EXPFAC2, EXPFAC3\n REAL EFAC, EFAC_EXT, EFAC_SCAT\n REAL DEN1, FAC1, FAC2\n REAL F1, F2, F3\n REAL G1, G2, G3, G4, G5\n REAL NN, TT\n\n REAL T1F1, T2F1, T1F2, T2F2, T1F3, T2F3\n REAL T1G1, T2G1, T1G2, T2G2, T1G3, T2G3, T1G4, T2G4\n REAL T1G5, T2G5, T1P1, T2P1\n\nC***the following are for calculating the Penndorff Coefficients\n\n REAL PENN1, A1, A2, A3, PENN2\n REAL XNR, XNI, XNR2, XNI2, XNRI, XNRI2, XNRMI\n REAL XRI, XRI2, XRI36, XNX, XNX2\n REAL Z1, Z12, Z2, XC1\n\nC***coefficients for polynomials\n\n REAL, PARAMETER :: F1A0 = -1.309193E-1\n REAL, PARAMETER :: F1A1 = 2.565668E+0\n\n REAL, PARAMETER :: F2A0 = 1.489233E+1\n REAL, PARAMETER :: F2A1 = -5.311351E+1\n REAL, PARAMETER :: F2A2 = 8.180334E+1\n REAL, PARAMETER :: F2A3 = -4.549854E+1\n\n REAL, PARAMETER :: F3A0 = 5.549359E-1\n REAL, PARAMETER :: F3A1 = 2.571002E-1\n REAL, PARAMETER :: F3A2 = 9.212703E-1\n REAL, PARAMETER :: F3A3 = 5.155047E-2\n\n REAL, PARAMETER :: G1A0 = 1.000000E+0\n REAL, PARAMETER :: G1A1 = -7.636121E-1\n REAL, PARAMETER :: G1A2 = 1.285532E+0\n REAL, PARAMETER :: G1A3 = 1.629161E-2\n\n REAL, PARAMETER :: G2A0 = 1.000000E+0\n REAL, PARAMETER :: G2A1 = -2.507954E+0\n REAL, PARAMETER :: G2A2 = 5.170246E+0\n REAL, PARAMETER :: G2A3 = -4.945515E+0\n\n REAL, PARAMETER :: G3A0 = 1.000000E+0\n REAL, PARAMETER :: G3A1 = -2.650134E+0\n REAL, PARAMETER :: G3A2 = 4.515327E+0\n REAL, PARAMETER :: G3A3 = -4.027442E+0\n\n REAL, PARAMETER :: G4A0 = 1.000000E+0\n REAL, PARAMETER :: G4A1 = -8.532647E-1\n REAL, PARAMETER :: G4A2 = 6.766073E-1\n\n REAL, PARAMETER :: G5A0 = 1.0\n REAL, PARAMETER :: G5A1 = -6.674946E-1\n REAL, PARAMETER :: G5A2 = -5.426378E-1\n\nC *** Coefficients for quadratic fit for large particles\nC from Irvine (1965) Table I\n REAL, PARAMETER :: IRVA0 = 1.076232E+0\n REAL, PARAMETER :: IRVA1 = -4.891972E-2\n REAL, PARAMETER :: IRVA2 = -2.243449E-2\n\n\nC FSB Coefficients for SMALL_G calculation\n REAL, PARAMETER :: XXA0 = 3.392224E-2\n REAL, PARAMETER :: XXA1 = 8.276532E-1\n REAL, PARAMETER :: XXA2 = -3.784926E-1\n REAL, PARAMETER :: XXA3 = 5.853108E-2\n REAL, PARAMETER :: G_ALPHA_I = XXA0 + XXA1 + XXA2 + XXA3\n\nC FSB Coefficients for LARGE_G calculation\n REAL, PARAMETER :: YYA0 = 6.776173E-1\n REAL, PARAMETER :: YYA1 = 2.385339E-2\n REAL, PARAMETER :: YYA2 = -7.952263E-4\n REAL, PARAMETER :: YYA3 = 9.410370E-6\n\nC FSB Coefficientf for adjusting asymmetry factor calculation\n REAL, PARAMETER :: CXG0 = -5.845196E-2\n REAL, PARAMETER :: CXG1 = 3.229183E-1\n REAL, PARAMETER :: CXG2 = 2.764716E-1\n REAL, PARAMETER :: CXG3 = -8.790411E-2\n\nC***FSB added for asymmetry factor calculation\n\n REAL QSCAT_AVG\n\n REAL, PARAMETER :: AA0 = 88.466\n REAL, PARAMETER :: AA1 = -61.628\n REAL, PARAMETER :: AA2 = 34.483\n REAL, PARAMETER :: AA3 = -8.543\n REAL, PARAMETER :: AA4 = 0.77435\n\n REAL GMAX\n REAL QANGLE\n REAL QQ, QF1, QF2, QF3\n REAL QQSUM, QQF1,QQF2, QQF3, QQCORR\n\n REAL, PARAMETER :: DEGTORAD = PI180\n REAL, PARAMETER :: THREE_PI_TWO = 3.0 * PI / 2.0\n\n\n REAL, PARAMETER :: SCALE = 1.00E+9\n\nC FSB check range of SIGMA_G\nC *** Maximum value of SIGMA_G allowed is 2.0\n SIGMA_G = MIN( 2.0, SIGMA_G )\nC *** Minimum allowed value fo SIGMA_F is 1.05\n SIGMA_G = MAX( 1.05, SIGMA_G )\nC***FSB start calculation\n XLNSIG = LOG( SIGMA_G ) \n\n ALPHV = SCALE * PI * DGN * EXP( 3.0 * XLNSIG * XLNSIG ) / LAMBDA\n ALPHV2 = ALPHV * ALPHV\n ALPHV3 = ALPHV * ALPHV * ALPHV\n\n XLNSIG2 = XLNSIG * XLNSIG\n A = 0.5 / XLNSIG2\n\n NR1 = NR - 1.0\n NR2 = NR * NR\n\nC***evaluate polynomials\nC*** optimize for piplined microprocessor\nC*** appproach recommended by Dr. Carlie Coats\n\n NN = NR1 * NR1\n\n T1F1 = F1A0 + F1A1 * NR1\n T1F2 = F2A0 + F2A1 * NR1\n T2F2 = F2A2 + F2A3 * NR1\n T1F3 = F3A0 + F3A1 * NR1\n T2F3 = F3A2 + F3A3 * NR1\n\n F1 = T1F1 ! linear\n F2 = T1F2 + T2F2 * NN ! cubic\n F3 = T1F3 + T2F3 * NN ! cubic\n\n C = F1\n\nC FSB correct for values of SIGMA_ less than 2.0.\nC The smallest value of SIGMA_G allowed is 1.05\nC 2.0 - 1.05 = 0.95\nC FCORR = (1.0 - 0.13 * (SIGMA_G - 1.05) / 0.95 )\nC 1.0 / 0.95 = 1.052632. 1.0 / 0.95 * 0.13 = 0.136842\n\n FCORR = 1.0 - 0.136842 * ( SIGMA_G - 1.05 )\n\n CEXT = C * FCORR\n CSCAT = CEXT\n B = F3 * A_TWO\n ALPHA_I = F2\n BEXT = B\n BSCAT = B\n PENN1 = 0.0\n PENN2 = 0.0\n\n IF ( NI .GT. 0.0 ) THEN\n\n TAU = NI / NR1\n\nC***evaluate more polynomials\nC*** optimize for piplined microprocessor\nC*** appproach recommended by Dr. Carlie Coats\n\n TT = TAU * TAU\n T1G1 = G1A0 + G1A1 * TAU\n T2G1 = G1A2 + G1A3 * TAU\n T1G2 = G2A0 + G2A1 * TAU\n T2G2 = G2A2 + G2A3 * TAU\n T1G3 = G3A0 + G3A1 * TAU\n T2G3 = G3A2 + G3A3 * TAU\n T1G4 = G4A0 + G4A1 * TAU\n T2G4 = G4A2 ! quadratic\n T1G5 = G5A0 + G5A1 * TAU\n T2G5 = G5A2 ! quadratic\n G1 = T1G1 + T2G1 * TT\n G2 = T1G2 + T2G2 * TT\n G3 = T1G3 + T2G3 * TT\n G4 = T1G4 + T2G4 * TT\n G5 = T1G5 + T2G5 * TT\n\nC *** adjust the variables\n\n CEXT = CEXT * G1\n CSCAT = CSCAT * G2\n BEXT = BEXT * G3\n BSCAT = BSCAT * G4\n ALPHA_I = ALPHA_I * G5\n\nC*** Calculate the Penndorf Coefficients for the small particle limit\n\n XNR = NR\n XNI = NI\n XNR2 = XNR * XNR\n XNI2 = XNI * XNI\n XNRI = XNR2 + XNI2\n XNRI2 = XNRI * XNRI\n XNRMI = XNR2 - XNI2\n XRI = XNR * XNI\n XRI2 = XRI * XRI\n XRI36 = 36.0 * XRI2\n XNX = XNRI2 + XNRMI - 2.0\n XNX2 = XNX * XNX\n\n Z1 = XNRI2 + 4.0 * XNRMI + 4.0\n Z12 = Z1 * Z1\n Z2 = 4.0 * XNRI2 + 12.0 * XNRMI + 9.0\n XC1 = 8.0 / ( 3.0 * Z12 )\n A1 = 24.0 * XRI / Z1\n\n A2 = 4.0 * XRI / 15.0 + 20.0 * XRI / ( 3.0 * Z2 ) +\n & 4.8 * XRI * ( 7.0 * XNRI2 +\n & 4.0 * ( XNRMI - 5.0 ) ) / Z12\n\n A3 = XC1 * ( XNX2 - XRI36 )\n\n EXPFAC2 = EXP( 2.0 * XLNSIG2 )\n EXPFAC3 = EXP( 4.5 * XLNSIG2 )\n\n T1P1 = A1 + A2 * ALPHV2 * EXPFAC2\n T2P1 = A3 * ALPHV3 * EXPFAC3\n\nC***PENN1 is the analytic integral of the Pendorff formulae over\nC*** a log normal particle size distribution.\n\n PENN1 = THREE_PI_TWO * ( T1P1 + T2P1 )\n PENN2 = THREE_PI_TWO * T2P1\n\n END IF ! test of ni > 0.0\n\n X_ALPHA = ALPHV / ALPHA_I\n\n LOGX2 = LOG( X_ALPHA )** 2\n\n BBFAC = BEXT * A / ( BEXT + A )\n\n EFAC_EXT = EXP( -BBFAC * LOGX2 )\n\nC***FSB calculate normalized extinction and scattering coefficients\n\n BETA_EXT = THREE_PI_TWO * CEXT *\n & SQRT( A / ( BEXT + A ) ) * EFAC_EXT\n\n BETA_SCAT = BETA_EXT ! NI = 0.0 case\n\nC *** Check for 0.0 < NI\n\n IF ( NI .GT. 0.0 ) THEN\n\n! BBFAC = 1.5 * BBFAC ! reset BBFAC for scattering\n BBFAC = 1.1 * BBFAC ! reset BBFAC for scattering\n\n EFAC_SCAT = EXP( -BBFAC * LOGX2 )\n\nC *** recalculate the normalized scattering coefficient\n\n BETA_SCAT = THREE_PI_TWO * CSCAT *\n & SQRT( A / ( BSCAT + A ) ) * EFAC_SCAT\n\nC *** Adjust beta_ext for small particle absorption:\n\n IF ( X_ALPHA .LT. 0.13 ) THEN\n\n FAC1 = ALPHV + 0.6 * ALPHV2\n\n BETA_EXT = MAX( BETA_EXT,\n & ( BETA_EXT * FAC1 + ( 1.0 - FAC1 ) * PENN1 ) )\n\n BETA_SCAT = MAX( BETA_SCAT,\n & ( BETA_SCAT * FAC1 + ( 1.0 - FAC1 ) * PENN2 ) )\n\n END IF ! test for XALPHA < 0.13\n \n! small highly absorbing particles such as a Tyndall scatterers such as\n! described in Jacobson (1999) in Fundmentals of Atmospheric Modeling. This\n! is approximately consistent with Penndorf (1962).\n\n BETA_SCAT = MAX( 0.001 * BETA_EXT, BETA_SCAT )\n \n END IF ! test for 0.0 < NI\nC *** Calculate large sphere limits(Irvine, 1965)\n\n MM1 = EXP( 0.5 * XLNSIG2 ) / ALPHV\n\nC FSB large sphere limit - scattering\n\n LARGESCAT = THREE_PI_TWO * ( 8.652439E-1 + 1.501772E-1 * NR ) * MM1\n\nC FSB large spnere limit for extinction ( no edge effectss )\n\n LARGEEXT = THREE_PI_TWO * ( 2.0 * MM1 )\n\nC FSB Adjust for large sphere limits\n\n IF ( ALPHV .GE. 10.0 ) THEN\n\n BETA_EXT = MAX( BETA_EXT, LARGEEXT )\n\n BETA_SCAT = MAX( BETA_SCAT, LARGESCAT )\n\n END IF ! test for 10.0 < ALPHV\n\nC***FSB now calculate the asymmetry factor\nC*** using the Hanna-Mathur quasi-empirical method\n! GMAX = 0.0\n\n! QSCAT_AVG = BETA_SCAT\n! QANGLE = AA0\n\n! IF ( QSCAT_AVG .GT. 1.0E-4 ) THEN\n! QQ = QSCAT_AVG * QSCAT_AVG\n! QF1 = AA0 + AA1 * QSCAT_AVG\n! QF2 = AA2 + AA3 * QSCAT_AVG\n! QF3 = AA4 * QSCAT_AVG * QSCAT_AVG\n! QANGLE = QF1 + QF2 * QQ + QF3 * QQ\n! END IF\n\n! QANGLE = DEGTORAD * QANGLE\n! G = COS( QANGLE) ! asymmetry factor\n\nC***FSB now calculate the asymmetry factor\nC*** using a parametric fit to Mie calculations\n\n X_ALPHA2 = X_ALPHA * X_ALPHA\n X_ALPHA3 = X_ALPHA * X_ALPHA * X_ALPHA\n\n SMALL_G = 0.0\n LARGE_G = 0.0\n\n IF ( ALPHV .LT. 2.6 ) THEN\n\nC FSB Calculate SMALL_G for sigma_g = 2.0\n\n QF1 = XXA0 + XXA1 * ALPHV\n QF2 = XXA2 * ALPHV2\n QF3 = XXA3 * ALPHV3\n SMALL_G = QF1 + QF2 + QF3 ! valid at sigma_g = 2.0\n\nC FSB adjust SMALL_G for values less than 2.0\nC The smallest sigma_g allowed is 1.05\n\n QQF1 = CXG0 + CXG1 * ALPHV\n QQF2 = CXG2 * ALPHV2\n QQF3 = CXG3 * ALPHV3\n QQSUM = QQF1 + QQF2 + QQF3\n FAC1 = 1.052632 * ( 2.0 - SIGMA_G)\n QQSUM = MAX( 0.0, QQSUM )\n QQCORR = ( 1.0 - FAC1 ) + FAC1 * QQSUM\n SMALL_G = SMALL_G * QQCORR\n G = SMALL_G\n\n ELSE IF ( ALPHV .LT. 100.0 ) THEN\n\n QF1 = YYA0 + YYA1 * X_ALPHA\n QF2 = YYA2 * X_ALPHA2\n QF3 = YYA3 * X_ALPHA3\n LARGE_G = QF1 + QF2 + QF3\n G = LARGE_G\n\n ELSE\n\nC Very large sphere limit from fit to Irvine (1965).\n\n G = 1.124484 - 1.153869E-1 * NR\n\n END IF\nC Simple and gross fix if appromation exceed realistic bounds\n G = MAX( -0.9999, MIN( G, 0.9999))\n RETURN\n END SUBROUTINE FAST_OPTICS\n\n END MODULE AERO_PHOTDATA\n" }, { "path": "CCTM/src/phot/inline/CLOUD_OPTICS.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n!:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n Module Cloud_Optics\n\n! Purpose:\n! Calculate the optical properties of hydrometeors per wavelength and layer.\n! Five types are treated liquid cloud droplet, ice particles, snowflakes, graupel\n! and rain droplet. The last three are lumped into one catagory called cloud \n! aggregates\n! History:\n! 09/15/14: B.Hutzell: Initial version created\n! 02/01/19: D.Wong: Cleaned up USE module clauses\n\n Implicit None\n\n real, parameter :: cldmin = 1.e-20 ! minimum value for cloud quantities\n \n real, allocatable :: cloud_liquid_ext ( :,: ) ! resolved cloud liquid droplet extinction, 1/m\n real, allocatable :: cloud_liquid_scat( :,: ) ! resolved cloud liquid droplet scattering, 1/m\n real, allocatable :: cloud_liquid_ssa ( :,: ) ! resolved cloud liquid droplet co-albedo\n real, allocatable :: cloud_liquid_asy ( :,: ) ! resolved cloud liquid droplet asymmetery factor\n\n real, allocatable :: cloud_aggreg_ext ( :,: ) ! resolved cloud aggregates extinction, 1/m\n real, allocatable :: cloud_aggreg_scat( :,: ) ! resolved cloud aggregates scattering, 1/m\n real, allocatable :: cloud_aggreg_ssa ( :,: ) ! resolved cloud aggregates co-albedo\n real, allocatable :: cloud_aggreg_asy ( :,: ) ! resolved cloud aggregates asymmetery factor\n\n real, allocatable :: cloud_ice_ext ( :,: ) ! resolved cloud ice particle extinction, 1/m\n real, allocatable :: cloud_ice_scat ( :,: ) ! resolved cloud ice particle scattering, 1/m\n real, allocatable :: cloud_ice_ssa ( :,: ) ! resolved cloud ice particle single scattering albedo\n real, allocatable :: cloud_ice_asy ( :,: ) ! resolved cloud ice particle asymmetery factor\n real, allocatable :: cloud_ice_del ( :,: ) ! resolved cloud ice delta forward tranmission function\n\n real, allocatable :: total_tau_cld( : ) ! total optical depth of resolved cloud \n#ifdef phot_debug \n real, allocatable :: ave_asymm_cld( : ) ! column average of resolved cloud asymmetry factor\n real, allocatable :: ave_ssa_cld ( : ) ! column average of resolved cloud single scattering albedo\n#endif\n \n real, allocatable :: cloud_ext_coeff( :,: ) ! total cloud extinction coefficient, 1/m\n real, allocatable :: cloud_scat_coef( :,: ) ! total cloud scattering coefficent, 1/m\n real, allocatable :: cloud_asym_fact( :,: ) ! average cloud asymmetery factor\n\n\n real, allocatable :: total_tau_urcld( : ) ! total optical depth of unresolved cloud \n real, allocatable :: ave_asymm_urcld( : ) ! column average of unresolved cloud asymmetry factor\n real, allocatable :: ave_ssa_urcld ( : ) ! column average of unresolved cloud single scattering albedo\n\n real, allocatable :: rel( : ) ! liquid droplet effective radius, um\n real, allocatable :: dge( : ) ! generalized ice particle size, um\n real :: max_dge ! maximum allowed value for dge, um\n real :: max_dge_squ ! maximum allowed value squared for dge , um2\n real :: min_dge ! minimum allowed value for dge, um\n \n logical, allocatable :: cloud_layering ( : ) ! flag to use optical depth correction for cloud layering\n\n \n integer :: row_cloud \n integer :: col_cloud\n \n public :: init_cloud_optics, general_effective_size, get_ice_optics,\n & get_droplet_optics, relcalc, get_aggregate_optics\n\n real, parameter, private :: low = 1.e-06 ! epsilon\n real, parameter, private :: high = 1.0e0 - low ! 1.0 - epsilon\n real, parameter, private :: cldtiny = high*cldmin ! minimum value for cloud scattering\n \n! Abscissas of Gauss-Laguerre Integration\n! for 32 point quadrature\n real( 8 ), parameter, private :: xk(32) = \n & (/ 0.0444893658333D+0, 0.23452610952D+0, \n & 0.576884629302D+0, 1.07244875382D+0, 1.72240877644D+0, 2.52833670643D+0, \n & 3.49221327285D+0, 4.61645677223D+0, 5.90395848335D+0, 7.3581268086D+0, \n & 8.98294126732D+0, 10.783012089D+0, 12.763745476D+0, 14.9309117981D+0, \n & 17.2932661372D+0, 19.8536236493D+0, 22.6357789624D+0, 25.6201482024D+0, \n & 28.8739336869D+0, 32.3333294017D+0, 36.1132042245D+0, 40.1337377056D+0, \n & 44.5224085362D+0, 49.2086605665D+0, 54.3501813324D+0, 59.8791192845D+0, \n & 65.9833617041D+0, 72.6842683222D+0, 80.1883747906D+0, 88.735192639D+0, \n & 98.8295523184D+0, 111.751398227D+0 /)\n\n! total weights (weight*exp(xk)) of Modified Gauss-Laguerre Integration\n real( 8 ), parameter, private :: totalw(32) = \n & (/ 0.114187105768D+0, 0.266065216898D+0, \n & 0.418793137325D+0, 0.572532846497D+0, 0.727648788453D+0, 0.884536718946D+0, \n & 1.04361887597D+0, 1.20534920595D+0, 1.37022171969D+0, 1.53877595906D+0, \n & 1.71164594592D+0, 1.8895649683D+0, 2.07318851235D+0, 2.26590144444D+0, \n & 2.46997418988D+0, 2.64296709494D+0, 2.76464437462D+0, 3.22890542981D+0, \n & 2.92019361963D+0, 4.3928479809D+0, 4.27908673189D+0, 5.20480398519D+0, \n & 5.11436212961D+0, 4.15561492173D+0, 6.19851060567D+0, 5.34795780128D+0, \n & 6.28339212457D+0, 6.89198340969D+0, 7.92091094244D+0, 9.20440555803D+0, \n & 11.1637432904D+0, 15.3902417688D+0 /)\n \n real( 8 ), private :: newtotalw(32)\n! Abscissas for 16 point quadrature\n real( 8 ), parameter, private :: gauss_laguerre_node( 16 ) = \n & (/ 0.8764941047892792D-1, 0.4626963289150808D+0, 1.141057774831227D+0, \n & 2.129283645098381D+0, 3.437086633893207D+0, 5.078018614549768D+0, \n & 7.070338535048235D+0, 9.438314336391938D+0, 12.21422336886616D+0,\n & 15.44152736878162D+0, 19.18015685675314D+0, 23.51590569399191D+0, \n & 28.57872974288214D+0, 34.58339870228663D+0, 41.94045264768833D+0,\n & 51.70116033954332D+0 /) \n \n! total weights for 16 points \n real( 8 ), parameter, private :: gauss_laguerre_weight( 16 ) = \n & (/ 0.2250363148642442D+0, 0.5258360527623427D+0, 0.8319613916870883D+0,\n & 1.146099240963750D+0, 1.471751316966809D+0, 1.813134687381348D+0,\n & 2.175517519694609D+0, 2.565762750165028D+0, 2.993215086371375D+0,\n & 3.471234483102089D+0, 4.020044086444668D+0, 4.672516607732857D+0,\n & 5.487420657986129D+0, 6.585361233289269D+0, 8.276357984364143D+0,\n & 11.82427755165841D+0 /)\n \n real( 8 ), private :: gauss_laguerre_total( 16 )\n \n real( 8 ), parameter :: cloud_largest = 9.0d+307 \n real( 8 ), parameter :: cloud_smallest = 9.0d-307\n real( 8 ), parameter :: cloud_log_largest = 709.090848126508d0\n real( 8 ), parameter :: cloud_log_smallest = -709.090848126508d0\n \n contains \n \n!-----------------------------------------------------------------------\n subroutine init_cloud_optics()\n\n use VGRD_DEFN, ONLY : NLAYS\n USE UTILIO_DEFN\n USE CSQY_DATA\n\n Implicit None\n\n integer :: allocstat ! memory allocation status\n integer :: i\n\n Character( 132 ) :: xmsg\n Character( 32 ) :: pname = 'init_cloud_optics'\n Logical, Save :: initialized = .false.\n \n If ( initialized ) Return\n \n initialized = .true.\n \n allocate( cloud_layering( nlays ),\n & rel ( nlays ),\n & dge ( nlays ), stat = allocstat )\n If( allocstat .ne. 0 )Then\n xmsg = 'Failure Allocating cloud_layering, rel, dge'\n call m3exit( pname, 0, 0, xmsg, xstat1 )\n End If\n\n max_dge = maxi_diameter_ice-low\n max_dge_squ = max_dge*max_dge\n min_dge = mini_diameter_ice+low\n \n cloud_layering = .true.\n \n allocate( cloud_liquid_ext ( nlays,nwl_ref ), \n & cloud_liquid_scat( nlays,nwl_ref ),\n & cloud_liquid_ssa ( nlays,nwl_ref ),\n & cloud_liquid_asy ( nlays,nwl_ref ), stat = allocstat )\n \n If( allocstat .ne. 0 )Then\n xmsg = 'Failure Allocating cloud_liquid_ext, cloud_liquid_scat, cloud_liquid_ssa, cloud_liquid_asy'\n call m3exit( pname, 0, 0, xmsg, xstat1 )\n End If\n\n cloud_liquid_ext = 0.0\n cloud_liquid_scat = 0.0\n cloud_liquid_ssa = 1.0\n cloud_liquid_asy = 0.0 \n\n allocate( cloud_ice_ext ( nlays,nwl_ref ), \n & cloud_ice_scat( nlays,nwl_ref ),\n & cloud_ice_ssa ( nlays,nwl_ref ),\n & cloud_ice_del ( nlays,nwl_ref ),\n & cloud_ice_asy ( nlays,nwl_ref ), stat = allocstat )\n \n If( allocstat .ne. 0 )Then\n xmsg = 'Failure Allocating cloud_ice_ext, cloud_ice_ext,cloud_ice_ssa, cloud_ice_del, ice_asy_rcld'\n call m3exit( pname, 0, 0, xmsg, xstat1 )\n End If\n \n cloud_ice_ext = 0.0\n cloud_ice_scat = 0.0\n cloud_ice_ssa = 1.0\n cloud_ice_asy = 0.0\n\n allocate( cloud_aggreg_ext ( nlays,nwl_ref ), \n & cloud_aggreg_scat( nlays,nwl_ref ),\n & cloud_aggreg_ssa ( nlays,nwl_ref ),\n & cloud_aggreg_asy ( nlays,nwl_ref ), stat = allocstat )\n \n If( allocstat .ne. 0 )Then\n xmsg = 'Failure Allocating cloud_aggreg_ext, cloud_aggreg_ext,cloud_aggreg_ssa,'\n & // 'cloud_aggreg_del, cloud_aggreg_asy'\n call m3exit( pname, 0, 0, xmsg, xstat1 )\n End If\n\n cloud_aggreg_ext = cldmin\n cloud_aggreg_scat = cldtiny\n cloud_aggreg_ssa = 1.0\n cloud_aggreg_asy = 0.0\n\n allocate( cloud_ext_coeff( nlays,nwl_ref ), \n & cloud_scat_coef( nlays,nwl_ref ),\n & cloud_asym_fact( nlays,nwl_ref ), stat = allocstat )\n \n If( allocstat .ne. 0 )Then\n xmsg = 'Failure Allocating cloud_ext_coeff, cloud_scat_coef, cloud_asy_fact'\n call m3exit( pname, 0, 0, xmsg, xstat1 )\n End If\n \n allocate( total_tau_cld( nwl_ref ), stat = allocstat )\n \n If( allocstat .ne. 0 )Then\n xmsg = 'Failure Allocating total_tau'\n call m3exit( pname, 0, 0, xmsg, xstat1 )\n End If\n\n#ifdef phot_debug\n allocate( ave_asymm_cld( nwl_ref ),\n & ave_ssa_cld( nwl_ref ), stat = allocstat )\n \n If( allocstat .ne. 0 )Then\n xmsg = 'Failure Allocating ave_asymm, ave_ssa'\n call m3exit( pname, 0, 0, xmsg, xstat1 )\n End If\n#endif \n \n do i = 1, 32\n newtotalw( i ) = xk( i ) * xk( i ) * totalw( i )\n end do\n\n do i = 1, 16\n gauss_laguerre_total( i ) = gauss_laguerre_node( i )\n & * gauss_laguerre_node( i )\n & * gauss_laguerre_weight( i )\n end do\n\n end subroutine init_cloud_optics\n\n!-----------------------------------------------------------------------\n subroutine general_effective_size( levels, t )\n! Purpose: calculate the generalized effective size\n! of ice particle based on temperature. The routine\n! was adapted from WRF version 3.5 implementation of \n! RRTMG\n! returns the effect raduis, re, of cloud ice particles, at\n! temperature, t\n\n Implicit None\n\n! Arguments:\n integer, intent(in) :: levels ! layers of process\n real, intent(in) :: t(:) ! air temperaure, K\n \n! Local:\n real corr\n integer i\n integer k\n integer index\n\n real, save :: retab(95) ! look up table effective size, um, of ice particle versus \n ! temperature. Values of re(T) are tabulated over temperature \n ! interval 180 K -- 274 K; hexagonal columns assumed:\n!\n! The table comes from CAM version 4.0 and does not matched\n! citation reference, equation (4) in \n! Kristjsson, J. E., J. M. Edwards, and D. L. Mitchell (1999),\n! A new parameterization scheme for the optical properties of \n! ice crystals for use in general circulation models of the \n! atmosphere, Phys. Chem. Earth, B24, 231236. \n! or 1030.7*EXP(0.05522*(Temp-279.5))\n! Array's first value corresponds to Temp equals 186.1 K\n! last temp correspond to Temp equal 253.8 K.\n\n data retab /\n & 5.92779, 6.26422, 6.61973, 6.99539, 7.39234, ! 5\n & 7.81177, 8.25496, 8.72323, 9.21800, 9.74075, 10.2930, ! 11\n & 10.8765, 11.4929, 12.1440, 12.8317, 13.5581, 14.2319, ! 17\n & 15.0351, 15.8799, 16.7674, 17.6986, 18.6744, 19.6955, ! 23\n & 20.7623, 21.8757, 23.0364, 24.2452, 25.5034, 26.8125, ! 29\n & 27.7895, 28.6450, 29.4167, 30.1088, 30.7306, 31.2943, ! 35\n & 31.8151, 32.3077, 32.7870, 33.2657, 33.7540, 34.2601, ! 41\n & 34.7892, 35.3442, 35.9255, 36.5316, 37.1602, 37.8078, ! 47\n & 38.4720, 39.1508, 39.8442, 40.5552, 41.2912, 42.0635, ! 53\n & 42.8876, 43.7863, 44.7853, 45.9170, 47.2165, 48.7221, ! 59\n & 50.4710, 52.4980, 54.8315, 57.4898, 60.4785, 63.7898, ! 65\n & 65.5604, 71.2885, 75.4113, 79.7368, 84.2351, 88.8833, ! 71\n & 93.6658, 98.5739, 103.603, 108.752, 114.025, 119.424, ! 77\n & 124.954, 130.630, 136.457, 142.446, 148.608, 154.956, ! 83\n & 161.503, 168.262, 175.248, 182.473, 189.952, 197.699, ! 89\n & 205.728, 214.055, 222.694, 231.661, 240.971, 250.639/ ! 95\n\n do k = 1, levels\n If( t(k) .le. 179.0 )Then\n index = 1\n Else If( t(k) .ge. 273.0 )Then\n index = 94\n Else\n index = max( int(t(k)-179.0), 1 )\n End If\n corr = t(k) - aint( t(k) ) ! temperatures of retab values differ by one degree K\n dge(k) = retab(index) + (retab(index+1)-retab(index))*corr\n\n! Convert from effective radius to generalized effective size (*1.0315; Fu et al. 1996)\n! but limit to upper bound in Fu et al. (1996) ice parameterization\n dge(k) = max( min( max_dge, 1.0315*dge(k) ), min_dge)\n end do\n\n return\n\n end subroutine general_effective_size\n\n!-----------------------------------------------------------------------\n subroutine get_ice_optics( levels, t, iwc )\n! Purpose calculate optical properties for ice particles\n! Uses Fu (1996) parameterization for ice particle generalized effective size, dge, from 5 to 140 microns, \n! *** NOTE: Fu parameterization requires particle size in generalized effective size.\n! and uses Ebert and Curry (1992) parameteriztion size, dge, >= 140 microns.\n! *** NOTE: Transition between two methods has not been smoothed. \n! Algorithm adapted Rapid Radiative Model Global (RRTMG) version 3.8 and Weather Research Forecasting model\n! (WRF) version 3.5\n\n USE UTILIO_DEFN ! IO functions and parameters\n USE CSQY_DATA ! number and value of wavelengths\n\n IMPLICIT NONE\n! arguments:\n integer, intent( inout ) :: levels ! layers to process\n real, intent( inout ) :: t(:) ! air temperaure, K\n real, intent( in ) :: iwc( : ) ! cloud ice water content, g/m3\n\n! ice water coefficients (Ebert and Curry,1992, JGR, 97, 3831-3836) \n real, save :: abari(4) = (/ 3.448e-03, 3.448e-03,3.448e-03,3.4480e-03/)\n real, save :: bbari(4) = (/ 2.431e+00, 2.431e+00,2.431e+00,2.4310e+00/)\n real, save :: cbari(4) = (/ 1.000e-05, 1.10e-04 ,1.861e-02,4.6658e-01/)\n real, save :: dbari(4) = (/ 0.000e+00, 1.405e-05,8.328e-04,2.0500e-05/)\n real, save :: ebari(4) = (/ 7.661e-01, 0.773e+00,0.794e+00,0.9595e+00/)\n real, save :: fbari(4) = (/ 5.851e-04, 5.665e-04,7.267e-04,1.0760e-04/)\n\n! Local:\n real factor\n real fint\n real forwice ! forward sccatering parameter\n integer iwl ! loop counter\n integer layer ! loop counter\n integer index\n \n character( 132 ) :: XMSG\n character( 16 ), save :: pname = 'GET_ICE_OPTICS'\n \n logical :: error_flag\n\n \n cloud_ice_ext ( 1:levels, 1:nwl_ref ) = cldmin\n cloud_ice_scat( 1:levels, 1:nwl_ref ) = cldtiny\n cloud_ice_ssa ( 1:levels, 1:nwl_ref ) = high\n cloud_ice_asy ( 1:levels, 1:nwl_ref ) = 0.0\n dge ( 1:levels ) = 0.0\n\n! forall( layer = 1:levels )\n! dge( layer ) = 0.0\n! forall( iwl = 1:nwl_ref ) \n! cloud_liquid_ext ( layer, iwl ) = cldmin\n! cloud_liquid_scat( layer, iwl ) = cldtiny\n! cloud_liquid_ssa ( layer, iwl ) = high\n! cloud_liquid_asy ( layer, iwl ) = 0.0\n! end forall \n! end forall\n \n if( maxval( iwc ) .le. cldmin )return\n\n call general_effective_size( levels, t )\n\n! Calculation of optical propeties due to ice particle\n! Note that this loop structure may not be the most efficientbecuase the \n! inner loop use the farther right array index. The code does this because cycle \n! condition per layer may be more efficient than iterating over wavelength than \n! layer \n\n error_flag = .false.\n \n do layer = 1, levels\n if( iwc( layer ) .le. cldmin )cycle\n do iwl = 1, nwl_ref\n#ifdef phot_debug \n if (dge(layer) .lt. mini_diameter_ice)then\n write(xmsg,*)Trim(pname)\n & // ': ICE PARTICLE GENERALIZED EFFECTIVE SIZE OUT OF BOUNDS'\n & // ' dge(', layer, ') = ', dge(layer),' um '\n call m3mesg(xmsg)\n error_flag = .true.\n end if\n#endif \n if (dge(layer) .ge. mini_diameter_ice .and. dge(layer) .le. maxi_diameter_ice) then\n factor = freq_diameter_ice * (dge(layer) - mini_diameter_ice)\n index = int(factor)\n fint = max( factor - float(index),0.0 )\n index = min( ndiameter_ice - 1, max( 1, index ) )\n cloud_ice_ext(layer, iwl) = ice_extinct(index,iwl) \n & + fint * (ice_extinct(index+1,iwl) - ice_extinct(index,iwl))\n cloud_ice_ssa(layer, iwl) = 1.0 - ice_coalbedo(index,iwl) \n & + fint * (ice_coalbedo(index+1,iwl) - ice_coalbedo(index,iwl))\n cloud_ice_asy(layer, iwl) = ice_asymfact(index,iwl) \n & + fint * (ice_asymfact(index+1,iwl) - ice_asymfact(index,iwl))\n cloud_ice_del(layer, iwl) = ice_deltrans(index,iwl) \n & + fint * (ice_deltrans(index+1,iwl) - ice_deltrans(index,iwl))\n#ifdef phot_debug \n if (cloud_ice_del(layer, iwl) .gt. 1.0 .or. cloud_ice_del(layer, iwl) .lt. 0.0)then\n write(xmsg, 99950)'ice particle delta function outside bounds and equals ', \n & cloud_ice_del(layer, iwl),' at layer ', layer\n call m3mesg(xmsg)\n error_flag = .true.\n end if \n#endif\n if(cloud_ice_ssa(layer, iwl) .gt. low)then\n forwice = cloud_ice_del(layer, iwl) + 0.5 / cloud_ice_ssa(layer, iwl)\n else \n forwice = high\n end if \n\n! See Fu (1996) p. 2067 \n if (cloud_ice_asy(layer, iwl) .ge. 1.0) cloud_ice_asy(layer, iwl) = cloud_ice_asy(layer, iwl)-low\n if (cloud_ice_asy(layer, iwl) .le. 0.0) cloud_ice_asy(layer, iwl) = cloud_ice_asy(layer, iwl)+low\n if (forwice .gt. cloud_ice_asy(layer, iwl)) forwice = cloud_ice_asy(layer, iwl)\n\n else if (dge(layer) .gt. maxi_diameter_ice) then\n if (effwl_ref(iwl) .lt. 0.700) then\n index = 1\n else if (effwl_ref(iwl) .lt. 1.300) then\n index = 2\n else if (effwl_ref(iwl) .lt. 1.900) then\n index = 3\n else if (effwl_ref(iwl) .lt. 2.500) then\n index = 4\n else ! if (effwl_ref(iwl) .e. 3.500) then\n index = 5\n end if\n cloud_ice_ext(layer, iwl) = abari(index) + bbari(index)/dge(layer) \n cloud_ice_ssa(layer, iwl) = 1.0 - cbari(index) - dbari(index)*dge(layer) \n cloud_ice_asy(layer, iwl) = ebari(index) + fbari(index)*dge(layer) \n if (cloud_ice_asy(layer, iwl) .ge. 1.0)cloud_ice_asy(layer, iwl) = 1.0-low\n if (cloud_ice_asy(layer, iwl) .le. 0.0)cloud_ice_asy(layer, iwl) = cloud_ice_asy(layer, iwl)+low\n forwice = cloud_ice_asy(layer, iwl)*cloud_ice_asy(layer, iwl)\n end if\n\n! adjust results for fraction of light in forward scattering peak from nonspheric particles\n! see Appendix A in Fu (1996), equations A.2(a,b,c)\n!!! temporary to check interpolation method\n cloud_ice_ext(layer, iwl) = (1.0 - forwice*cloud_ice_ssa(layer, iwl)) \n & * cloud_ice_ext(layer, iwl)\n cloud_ice_ssa(layer, iwl) = cloud_ice_ssa(layer, iwl)*(1.0 - forwice) \n & / (1.0 - forwice*cloud_ice_ssa(layer, iwl))\n cloud_ice_asy(layer, iwl) = (cloud_ice_asy(layer, iwl) - forwice) \n & / (1.0 - forwice)\n cloud_ice_del(layer, iwl) = forwice\n! convert extinction coefficient to extinction per layer thickness\n cloud_ice_ext(layer, iwl) = cloud_ice_ext(layer, iwl) * iwc(layer)\n! calculate scattering per per layer thickness\n cloud_ice_scat(layer, iwl) = cloud_ice_ssa(layer, iwl) * cloud_ice_ext(layer, iwl)\n#ifdef phot_debug \n! Check to ensure all calculated quantities are within physical limits.\n if (cloud_ice_ext(layer, iwl) .lt. 0.0)then\n write(xmsg,99950)'ice particle extinction equals ', \n & cloud_ice_ext(layer, iwl), ' at layer = ',layer\n error_flag = .true.\n end if\n if (cloud_ice_ssa(layer, iwl) .gt. high .or. cloud_ice_ssa(layer, iwl) .lt. low)then\n write(xmsg, 99950)'ice particle SSA outside bounds and equals ', \n & cloud_ice_ssa(layer, iwl),' at layer ', layer\n call m3mesg(xmsg)\n! error_flag = .true.\n end if \n if (cloud_ice_asy(layer, iwl) .gt. 1.0 .or. cloud_ice_asy(layer, iwl) .lt. -1.0)then\n write(xmsg, 99950)'ice particle asymmetery factor outside bounds and equals ', \n & cloud_ice_asy(layer, iwl),' at layer ', layer\n call m3mesg(xmsg)\n error_flag = .true.\n end if \n if (cloud_ice_scat(layer, iwl) .gt. cloud_ice_ext(layer, iwl))then\n write(xmsg, 99950)'ice particle scattering greater than extinction, SSA ', \n & cloud_ice_ssa(layer, iwl),' at layer ', layer\n call m3mesg(xmsg)\n error_flag = .true.\n end if \n#endif\n end do\n end do\n\n#ifdef phot_debug \n if( error_flag )then\n write(xmsg,99951)'Encountered the above Errors at COLUMN = ', col_cloud,\n & ' and ROW = ', row_cloud\n call m3exit(pname,0,0,'Encountered the above Errors', XSTAT1 )\n end if\n#endif\n \n99950 format(a,es12.4,a,i3)\n99951 format(a,i5,a,i5)\n99962 format(a,1x,10(es12.4,1x),a,10(es12.4,1x))\n\n end subroutine get_ice_optics\n\n!-----------------------------------------------------------------------\n subroutine relcalc( levels, t, owater_frac, icefrac, snowfrac )\n!----------------------------------------------------------------------- \n! Purpose: \n! Compute effective radius of cloud water droplets\n! Subroutine adapted WRF version 3.5 by Phil Rasch\n! Method: \n! analytic formula following the formulation originally developed by J. T. Kiehl\n! for CAM version 3.0 and 4.0 \n!-----------------------------------------------------------------------\n Implicit None\n\n! Arguments:\n integer, intent( in ) :: levels ! layers to process\n real, intent( in ) :: t( : ) ! Air Temperature, K\n real, intent( in ) :: owater_frac ! Open water fractional coverage\n real, intent( in ) :: icefrac ! Sea Ice fractional coverage\n real, intent( in ) :: snowfrac ! Snow fractional coverage\n\n! Parameters:\n real, parameter :: tmelt = 273.16 ! freezing temperature of fresh water (K)\n real, parameter :: rliqland = 8.0 ! liquid drop size if over land\n real, parameter :: rliqocean = 14.0 ! liquid drop size if over ocean\n real, parameter :: rliqice = 14.0 ! liquid drop size if over sea ice\n \n real, parameter :: del_land_ocean = rliqocean - rliqland\n! real, parameter :: del_land_seaice = rliqice - rliqland\n \n real, parameter :: sheight_factor = 1.0e-2 ! conversion factor for snow height\n ! equal 0.001 in rrtmg implementation in WRF 3.5\n ! times 10.0 factor in original relcalc subroutine\n! variables:\n integer :: k ! loop counter\n real :: snowh ! snow height\n \n! snowh = sheight_factor * snowfrac \n \n forall( k=1:levels ) ! effective radius algorithm\n! Start with temperature-dependent value appropriate for continental air\n rel(k) = rliqland + del_land_ocean * min(1.0,max(0.0,0.05*(tmelt-t(k))))\n ! Ramp up for snow frac over land; uses fill increase if snow_frac is 100%\n rel(k) = rel(k) + (rliqocean-rel(k)) * min(1.0, snowfrac) ! min(1.0,max( 0.0, snowh))\n ! Ramp up between polluted value over land to clean value over ocean.\n rel(k) = rel(k) + (rliqocean-rel(k)) * min(1.0,max( 0.0, owater_frac))\n ! Ramp up between the resultant value and a sea ice value in the presence of ice.\n rel(k) = rel(k) + (rliqice-rel(k)) * min(1.0,max( 0.0, icefrac ))\n end forall\n \n end subroutine relcalc \n\n!-----------------------------------------------------------------------\n subroutine get_droplet_optics( levels, t, owater_frac, icefrac, snowfrac, lwc )\n\n USE UTILIO_DEFN ! IO functions and parameters\n USE CSQY_DATA ! number and value of wavelengths\n \n Implicit None\n! Agruments:\n integer, intent( inout ) :: levels ! layers to process\n real, intent( inout ) :: t( : ) ! Air Temperature, K\n real, intent( inout ) :: owater_frac ! Open water fractional coverage\n real, intent( inout ) :: icefrac ! Sea Ice fractional coverage\n real, intent( inout ) :: snowfrac ! Snow fractional coverage\n real, intent( in ) :: lwc( : ) ! cloud liquid water content, g/m3\n\n! local:\n real :: radliq\n real :: fint\n integer :: index\n integer :: iwl\n integer :: layer\n\n character( 132 ) :: XMSG\n character( 32 ), save :: pname = 'GET_DROPLET_OPTICS'\n\n logical :: error_flag\n\n error_flag = .false.\n \n! forall( layer = 1:levels )\n! rel( layer ) = 0.0\n! forall( iwl = 1:nwl_ref ) \n! cloud_liquid_ext ( layer, iwl ) = cldmin\n! cloud_liquid_scat( layer, iwl ) = cldtiny\n! cloud_liquid_ssa ( layer, iwl ) = high\n! cloud_liquid_asy ( layer, iwl ) = 0.0\n! end forall \n! end forall\n\n cloud_liquid_ext ( 1:levels, 1:nwl_ref ) = cldmin\n cloud_liquid_scat( 1:levels, 1:nwl_ref ) = cldtiny\n cloud_liquid_ssa ( 1:levels, 1:nwl_ref ) = high\n cloud_liquid_asy ( 1:levels, 1:nwl_ref ) = 0.0\n \n if( maxval(lwc) .le. cldmin )return\n \n call relcalc( levels, t, owater_frac, icefrac, snowfrac )\n \n! Calculation of optical coefficients due to water clouds droplets\n! Note that this loop structure may not be the most efficientbecuase the \n! inner loop use the farther right array index. The code does this because cycle \n! condition per layer may be more efficient than iterating over wavelength than \n! layer\n error_flag = .false.\n \n do layer = 1, levels\n if( lwc( layer ) .le. cldmin )cycle\n do iwl = 1, nwl_ref\n radliq = rel(layer)\n#ifdef phot_debug \n if (radliq .lt. mini_radius_liquid .or. radliq .gt. maxi_radius_liquid)then\n write(xmsg, 99950)'liquid effective radius outside bounds and equals ', radliq,\n & ' um at layer ', layer\n call m3mesg(xmsg)\n error_flag = .true.\n end if\n#endif \n index = int(radliq - init_radius_liquid)\n if (index .le. 0) index = 1\n if (index .ge. nradius_liquid) index = nradius_liquid - 1\n \n fint = max( freq_radius_liquid*(radliq - init_radius_liquid - real(index)), 0.0)\n \n cloud_liquid_ext(layer, iwl) = liquid_extinct(index,iwl) \n & + fint * (liquid_extinct(index+1,iwl) - liquid_extinct(index,iwl))\n \n cloud_liquid_ssa(layer, iwl) = 1.0 - liquid_coalbedo(index,iwl) \n & + fint * (liquid_coalbedo(index+1,iwl) - liquid_coalbedo(index,iwl))\n if (cloud_liquid_ssa(layer, iwl) .le. 0.0)then\n cloud_liquid_ssa(layer, iwl) = cloud_liquid_ssa(layer, iwl) + low\n else if(cloud_liquid_ssa(layer, iwl) .ge. 1.0)then\n cloud_liquid_ssa(layer, iwl) = cloud_liquid_ssa(layer, iwl) - low\n end if\n cloud_liquid_asy(layer, iwl) = liquid_asymfact(index,iwl) \n & + fint * (liquid_asymfact(index+1,iwl) - liquid_asymfact(index,iwl))\n\n! forwliq(iwl) = cloud_liquid_asy(ig)*cloud_liquid_asy(iwl)\n\n! convert extinction coefficient into extinction per layer \n cloud_liquid_ext(layer, iwl) = cloud_liquid_ext(layer, iwl) * lwc(layer)\n \n! calculate scattering per layer\n cloud_liquid_scat(layer, iwl) = cloud_liquid_ssa(layer, iwl) * cloud_liquid_ext(layer, iwl)\n#ifdef phot_debug \n! Check to ensure all calculated quantities are within physical limits.\n if (cloud_liquid_ext(layer, iwl) .lt. 0.0)then\n write(xmsg,99950)'cloud droplet extinction equals ', \n & cloud_liquid_ext(layer, iwl), ' at layer = ',layer\n error_flag = .true.\n end if\n if (cloud_liquid_ssa(layer, iwl) .gt. high .or. cloud_liquid_ssa(layer, iwl) .lt. low)then\n write(xmsg, 99950)'liquid cloud droplet SSA outside bounds and equals ', \n & cloud_liquid_ssa(layer, iwl),' at layer ', layer\n call m3mesg(xmsg)\n! error_flag = .true.\n end if \n if (cloud_liquid_scat(layer, iwl) .gt. cloud_liquid_ext(layer, iwl))then\n write(xmsg, 99950)'cloud droplet scattering greater than extinction, SSA = ', \n & cloud_liquid_ssa(layer, iwl),' at layer ', layer\n call m3mesg(xmsg)\n error_flag = .true.\n end if \n if (cloud_liquid_asy(layer, iwl) .gt. 1.0 .or. cloud_liquid_asy(layer, iwl) .lt. -1.0)then\n write(xmsg, 99950)'liquid cloud droplet asymmetery factor outside bounds and equals ', \n & cloud_liquid_asy(layer, iwl),' at layer ', layer\n call m3mesg(xmsg)\n error_flag = .true.\n end if \n#endif \n end do\n end do\n#ifdef phot_debug \n if( error_flag )then\n write(xmsg,99951)'Encountered the above Errors at COLUMN = ', col_cloud,\n & ' and ROW = ', row_cloud\n call m3exit(pname,0,0,'Encountered the above Errors', XSTAT1 )\n end if\n#endif\n \n99950 format(a,es12.4,a,i3)\n99951 format(a,i5,a,i5)\n end subroutine get_droplet_optics\n\n!-----------------------------------------------------------------------\n subroutine aggreg_size_effective(hydro_type, q, reff, nlayers)\n\n!---------------------------------------------------------------------------\n! Purpose: compute effective radius of cloud water and ice aggregegates:\n! rain droplets, snowflakes and graupel from water liquid and ice\n! \n! METHOD: \n! assume exponential particle size distribution and spherical particles\n! use Gauss-Laguerre Quadrature for integration\n! HISTORY: 08/15/2014: B.Hutzell adapted from NCAR CAM model version 3 \n!---------------------------------------------------------------------------\n\n implicit none\n!..Includes:\n! INCLUDE SUBST_CONST ! CMAQ constants\n\n!...Arguments:\n integer, intent(in) :: hydro_type ! aggregegate to calculate\n real, intent(in) :: q ( : ) ! aggregegate mixing ratio, g/m3\n real, intent(out) :: reff( : ) ! effective radius, um\n integer, intent(in) :: nlayers ! # of layers\n\n! constants \n! values for n0 values taken from default column of Table 1. in Wainwright et. al (2014)\n! J. of Appl. Meteo. Climat., vol 53. pp 2072.\n real( 8 ), parameter :: n0_rain = 0.08D0 ! cm(-4)\n real( 8 ), parameter :: n0_snow = 0.03D0 ! cm(-4)\n real( 8 ), parameter :: n0_grau = 0.005D0 ! cm(-4)\n real( 8 ), parameter :: rho_rain = 1000.0D0 ! kg m(-3)\n real( 8 ), parameter :: rho_snow = 100.0D0 ! kg m(-3)\n real( 8 ), parameter :: rho_grau = 400.0D0 ! kg m(-3)\n\n real( 8 ), parameter :: chi_rain = -4.47806054D+01 ! -2.0*(1.0e+3*pi*rho_rain*n0_rain)**0.25, (cm-4*g/m3)**.25\n real( 8 ), parameter :: chi_snow = -1.97059682D+01 ! -2.0*(1.0e+3*pi*rho_snow*n0_snow)**0.25, (cm-4*g/m3)**.25\n real( 8 ), parameter :: chi_grau = -1.78063523D+01 ! -2.0*(1.0e+3*pi*rho_grau*n0_grau)**0.25, (cm-4*g/m3)**.25\n \n!!!!!!!!!!! real, parameter :: limit = 1.0E-10 ! value of q where calculation converges to a lower limit\n real, parameter :: limit = 1.0E-04 ! value of q where calculation converges to a upper limit\n\n real, parameter :: dmin_snow = 887.873 ! lower convergence results for snow, um \n real, parameter :: dmin_grau = dmin_snow ! lower convergence results for graupel, um \n real, parameter :: dmin_rain = 0.5*dmin_snow ! lower convergence results for rain, um \n\n! local variables\n integer :: lay, nk\n real( 8 ) :: rho_hydro\n real( 8 ) :: sum1, sum2 \n real( 8 ) :: lamda\n real( 8 ) :: n0\n real( 8 ) :: chi\n real( 8 ) :: comp\n real( 8 ) :: psd ! partical size distribution\n real( 8 ) :: argument\n real :: factor\n real :: dmin ! value if q .le. limit\n\n! initialize\n!\n! cloud rain/snow/graupel effective radius\n!\n if ( maxval( q ) .le. cldmin )then\n reff( 1:nlayers ) = min_dge\n return\n end if\n select case ( hydro_type )\n case( 1 )\n rho_hydro = rho_rain\n n0 = n0_rain\n chi = chi_rain\n factor = 1.0e+4\n dmin = dmin_rain\n case( 2 )\n rho_hydro = rho_snow\n n0 = n0_snow\n chi = chi_snow\n factor = 2.0e+4\n dmin = dmin_snow\n case( 3 )\n rho_hydro = rho_grau\n n0 = n0_grau\n chi = chi_grau\n factor = 2.0e+4\n dmin = dmin_snow\n case default\n reff( 1:nlayers ) = min_dge\n return\n end select\n \n do lay = 1, nlayers\n! lamda = (1.0e+3*pi*rho_hydro*n0/q(lay))**0.25\n if( q(lay) .le. limit )then\n reff(lay) = dmin\n cycle\n end if\n lamda = chi*(1.0D0/real( q(lay), 8))**0.25D0\n sum1 = 0.0D0\n sum2 = 0.0D0\n!original method used thirty-two nodes\n do nk = 1, 32\n argument = lamda*xk(nk)\n if( argument .lt. cloud_log_smallest ) cycle ! assume dexp( argument ) equals zero\n psd = n0*dexp( argument ) \n comp = newtotalw(nk) * psd\n sum2 = sum2 + comp \n sum1 = sum1 + xk(nk)*comp\n! reff results sixteen point seem off from thirty two points up to a factor of two\n! do nk = 1, 16\n! psd = n0*exp(lamda*gauss_laguerre_node(nk))\n! comp = gauss_laguerre_total(nk) * psd\n! sum2 = sum2 + comp \n! sum1 = sum1 + gauss_laguerre_node(nk)*comp\n end do\n if( sum2 .lt. cloud_smallest )then\n reff(lay) = dmin\n else\n reff(lay) = factor * real( sum1/sum2, 4 ) ! microns\n end if\n end do\n\n end subroutine aggreg_size_effective\n\n!-----------------------------------------------------------------------\n subroutine get_aggregate_optics( levels, rwc, swc, gwc )\n! Purpose calculate optical properties for aggregates: combined rain droplet, snowflakes and graupel\n! Uses Fu (1996) parameterization for ice particle generalized effective size, dge, from 5 to 140 microns, \n! Algorithm adapted Rapid Radiative Model Global (RRTMG) version 3.9 and Weather Research Forecasting model\n! (WRF) version 3.6\n\n use VGRD_DEFN, ONLY : NLAYS\n USE UTILIO_DEFN ! IO functions and parameters\n USE CSQY_DATA ! number and value of wavelengths\n\n IMPLICIT NONE\n! arguments:\n integer, intent( inout ) :: levels ! layer to processes\n real, intent( inout ) :: rwc( : ) ! rain water content, g/m3\n real, intent( inout ) :: swc( : ) ! snowflake content, g/m3\n real, intent( inout ) :: gwc( : ) ! graupel content, g/m3\n\n! Local:\n real :: factor\n real :: fint\n real :: forwice ! forward sccatering parameter\n real :: reff_rain( nlays ) ! effective radius of rain droplet, um\n real :: deff_snow( nlays ) ! effective diameter of snowflakes, um\n real :: deff_graupel( nlays ) ! effective diameter of graupel, um\n \n real :: deff_hydro( nlays ) ! effective diameter for unmodified hydrometeor, um\n real :: hydro_content( nlays ) ! unmodified hydrometeor content, g/m3\n\n real :: rain_ext ! rain droplet extinction coefficient, 1/m\n real :: rain_ssa ! rain droplet sing scattering albedo\n real :: rain_scat ! rain droplet scattering coefficient, 1/m\n real :: rain_asy ! rain droplet asymmetry factor\n\n real :: snow_ext ! snowflake extinction coefficient, 1/m\n real :: snow_ssa ! snowflake sing scattering albedo\n real :: snow_scat ! snowflake scattering coefficient, 1/m\n real :: snow_asy ! snowflake asymmetry factor\n\n real :: graupel_ext ! graupel extinction coefficient, 1/m\n real :: graupel_ssa ! graupel sing scattering albedo\n real :: graupel_scat ! graupel scattering coefficient, 1/m\n real :: graupel_asy ! graupel asymmetry factor\n\n real :: snow_del ! snowflake delta forward tranmission function\n real :: graupel_del ! graupel delta forward tranmission function\n\n integer :: iwl ! loop counter\n integer :: layer ! loop counter\n integer :: index\n \n character( 132 ) :: XMSG\n character( 32 ), save :: pname = 'GET_AGGREGATE_OPTICS'\n \n logical :: error_flag\n logical :: normalize\n\n! for rain droplets used simple parameterization in Goddard Radiation Model\n\n normalize = .false.\n error_flag = .false.\n \n! initialize optical properties to minimums\n forall( layer = 1:levels, iwl = 1:nwl_ref )\n cloud_aggreg_ext ( layer,iwl ) = cldmin\n cloud_aggreg_scat( layer,iwl ) = cldtiny\n cloud_aggreg_asy ( layer,iwl ) = 0.0\n cloud_aggreg_ssa ( layer,iwl ) = high\n end forall\n! cloud_aggreg_ext ( 1:levels,1:nwl_ref ) = cldmin\n! cloud_aggreg_scat( 1:levels,1:nwl_ref ) = cldtiny\n! cloud_aggreg_ssa ( 1:levels,1:nwl_ref ) = high\n! cloud_aggreg_asy ( 1:levels,1:nwl_ref ) = 0.0\n\n \n if( maxval( rwc ) .gt. cldmin )then\n!!!!!!!!! call aggreg_size_effective( 1, rwc, reff_rain, levels)\n\n!Parameterization for rain droplets is taken from Goddard Space Flight Radiation Model\n!in WRF version 3.6. Their derivation is discussed in Chou and Suarez (1999),\n! A Solar Radiation Parameterization for Atmospheric Studies, NASA/TM-1999-104606,\n!Vol. 15, pages 17-20.\n\n rain_ext = 3.0e-3\n rain_ssa = high\n rain_scat = rain_ssa*rain_ext\n rain_asy = 0.883\n do layer = 1, levels\n if( rwc( layer ) .le. cldmin )cycle\n forall ( iwl = 1:nwl_ref )\n cloud_aggreg_ext (layer,iwl) = rain_ext * rwc(layer)\n cloud_aggreg_scat(layer,iwl) = rain_scat * rwc(layer)\n cloud_aggreg_asy (layer,iwl) = rain_asy * cloud_aggreg_scat(layer, iwl)\n cloud_aggreg_ssa (layer, iwl) = rain_ssa\n end forall\n end do\n normalize = .true.\n end if\n \n if( maxval( swc ) .gt. cldmin )then\n\n call aggreg_size_effective( 2, swc, deff_snow, levels)\n\n do layer = 1, levels\n if( swc( layer ) .le. cldmin )cycle\n deff_hydro(layer) = deff_snow(layer)\n! correct the snowflake effective size to be within maxi and min parameters then\n! updated concentrations. Latter step is taken from the RRTMG code version 3.9 so Fu (1996) can be\n! used for optical properties.\n if( deff_snow( layer ) .ge. maxi_diameter_ice )then\n hydro_content( layer ) = swc( layer ) * max_dge_squ\n & / (deff_snow( layer )*deff_snow( layer ))\n else\n hydro_content(layer) = swc(layer)\n end if\n deff_snow( layer ) = max( min( deff_snow( layer ), max_dge ), min_dge )\n do iwl = 1, nwl_ref \n factor = freq_diameter_ice * (deff_snow(layer) - mini_diameter_ice)\n index = int(factor)\n fint = max( factor - float(index),0.0 )\n index = min( ndiameter_ice - 1, max( 1, index ) )\n snow_ext = ice_extinct(index,iwl) \n & + fint * (ice_extinct(index+1,iwl) - ice_extinct(index,iwl))\n snow_ssa = 1.0 - ice_coalbedo(index,iwl) \n & + fint * (ice_coalbedo(index+1,iwl) - ice_coalbedo(index,iwl))\n snow_asy = ice_asymfact(index,iwl) \n & + fint * (ice_asymfact(index+1,iwl) - ice_asymfact(index,iwl))\n snow_del = ice_deltrans(index,iwl) \n & + fint * (ice_deltrans(index+1,iwl) - ice_deltrans(index,iwl))\n#ifdef phot_debug \n if (snow_del .gt. 1.0 .or. snow_del .lt. 0.0)then\n write(xmsg, 99960)'snowflake delta function outside bounds and equals ', \n & snow_del,' at layer ', layer\n call m3mesg(xmsg)\n error_flag = .true.\n end if \n! if( iwl .eq. 1 .and. row_cloud .eq. 1 .and. col_cloud .eq. 1 )then\n! write(log_cloud_optics,99962)'hdc,deff_snow,snow_ext,snow_asy,ssa,del = ',\n! & hydro_content( layer ),deff_snow(layer),snow_ext,snow_asy,\n! & snow_ssa, snow_del\n! end if\n#endif \n\n if(snow_ssa .gt. low)then\n forwice = snow_del + 0.5 / snow_ssa\n else \n forwice = high\n end if \n! See Fu (1996) p. 2067 \n if (snow_asy .ge. 1.0) snow_asy = snow_asy-low\n if (snow_asy .le. 0.0) snow_asy = snow_asy+low\n if (forwice .gt. snow_asy) forwice = snow_asy\n! adjust results for fraction of light in forward scattering peak from nonspheric particles\n! see Appendix A in Fu (1996), equations A.2(a,b,c)\n snow_ext = (1.0 - forwice*snow_ssa) * snow_ext\n snow_ssa = snow_ssa*(1.0 - forwice) / (1.0 - forwice*snow_ssa)\n snow_asy = (snow_asy - forwice) / (1.0 - forwice)\n snow_del = forwice\n! calculate extinction and scattering coefficients per layer\n snow_ext = snow_ext * hydro_content(layer)\n snow_scat = snow_ssa * snow_ext\n#ifdef phot_debug \n! Check to ensure all calculated quantities are within physical limits.\n if (snow_ext .lt. 0.0 .or. snow_ext .ne. snow_ext )then\n write(xmsg,99960)'snowflake extinction equals ', \n & snow_ext, ' at layer = ',layer\n error_flag = .true.\n end if\n if (snow_ssa .gt. high .or. snow_ssa .lt. low .or. snow_ssa .ne. snow_ssa )then\n write(xmsg, 99960)'snowflake SSA outside bounds and equals ', \n & snow_ssa,' at layer ', layer\n call m3mesg(xmsg)\n! error_flag = .true.\n end if \n if (snow_asy .ge. 1.0 .or. snow_asy .le. -1.0 .or. snow_asy .ne. snow_asy )then\n write(xmsg, 99960)'snowflake asymmetery factor outside bounds and equals ', \n & snow_asy,' at layer ', layer\n call m3mesg(xmsg)\n error_flag = .true.\n end if \n if (snow_scat .gt. snow_ext)then\n write(xmsg, 99960)'snowflake scattering greater than extinction, SSA ', \n & snow_ssa,' at layer ', layer\n call m3mesg(xmsg)\n error_flag = .true.\n end if \n! if( iwl .eq. 1 .and. row_cloud .eq. 1 .and. col_cloud .eq. 1 )then\n! write(log_cloud_optics,99962)'swc,deff_hydro,snow_ext,snow_scat,snow_asyssa,del = ',\n! & swc( layer ),deff_hydro(layer),snow_ext/hydro_content(layer),snow_scat/hydro_content(layer),snow_asy,\n! & snow_ssa, snow_del\n! end if\n#endif\n cloud_aggreg_ext(layer, iwl) = cloud_aggreg_ext(layer, iwl) + snow_ext\n cloud_aggreg_scat(layer, iwl) = cloud_aggreg_scat(layer, iwl) + snow_scat\n cloud_aggreg_asy(layer, iwl) = cloud_aggreg_asy(layer, iwl) + (snow_asy*snow_scat)\n#ifdef phot_debug \n! if( abs( cloud_aggreg_asy(layer, iwl) ) .ge. cloud_aggreg_scat(layer, iwl) )then\n! write(log_cloud_optics,99962)\n! & 'swc,deff_hydro,snow_ext,snow_scat,snow_asy * snow_scat, ssa,del, cloud_aggreg_asy = ',\n! & swc( layer ),deff_hydro(layer),snow_ext,snow_scat,(snow_asy*snow_scat),\n! & snow_ssa, snow_del, cloud_aggreg_asy(layer, iwl), cloud_aggreg_scat(layer, iwl)\n! end if\n#endif\n end do\n end do\n normalize = .true.\n end if\n\n if( maxval( gwc ) .gt. cldmin )then\n\n call aggreg_size_effective( 3, gwc, deff_graupel, levels)\n\n do layer = 1, levels\n if( gwc( layer ) .le. cldmin )cycle \n deff_hydro(layer) = deff_graupel(layer)\n! correct effective size to be within maxi and min parameters then\n! updated concentrations. Latter step is taken from the RRTMG code \n! version 3.9 so Fu (1996) can be used for optical properties.\n if( deff_graupel( layer ) .ge. maxi_diameter_ice )then\n hydro_content( layer ) = gwc( layer ) * max_dge_squ\n & / (deff_graupel( layer )*deff_graupel( layer )) \n else\n hydro_content(layer) = gwc(layer) \n end if\n deff_graupel( layer ) = max( min( deff_graupel( layer ), max_dge ), min_dge )\n do iwl = 1, nwl_ref\n factor = freq_diameter_ice * (deff_graupel(layer) - mini_diameter_ice)\n index = int(factor)\n fint = max( factor - float(index), 0.0 )\n index = min( ndiameter_ice - 1, max( 1, index ) )\n graupel_ext = ice_extinct(index,iwl) \n & + fint * (ice_extinct(index+1,iwl) - ice_extinct(index,iwl))\n graupel_ssa = 1.0 - ice_coalbedo(index,iwl) \n & + fint * (ice_coalbedo(index+1,iwl) - ice_coalbedo(index,iwl))\n graupel_asy = ice_asymfact(index,iwl) \n & + fint * (ice_asymfact(index+1,iwl) - ice_asymfact(index,iwl))\n graupel_del = ice_deltrans(index,iwl) \n & + fint * (ice_deltrans(index+1,iwl) - ice_deltrans(index,iwl))\n#ifdef phot_debug \n if (graupel_del .gt. 1.0 .or. graupel_del .lt. 0.0)then\n write(xmsg, 99960)'graupel delta function outside bounds and equals ', \n & graupel_del,' at layer ', layer\n call m3mesg(xmsg)\n error_flag = .true.\n end if \n! if( iwl .eq. 1 .and. row_cloud .eq. 1 .and. col_cloud .eq. 1 )then\n! write(log_cloud_optics,99962)'hdc,deff_graupel,graupel_ext,graupel_asy,ssa,del = ',\n! & hydro_content( layer ),deff_graupel(layer),graupel_ext,graupel_asy,\n! & graupel_ssa, graupel_del\n! end if\n#endif\n\n if(graupel_ssa .gt. low)then\n forwice = graupel_del + 0.5 / graupel_ssa\n else \n forwice = high\n end if \n\n! See Fu (1996) p. 2067 \n if (graupel_asy .ge. 1.0) graupel_asy = graupel_asy-low\n if (graupel_asy .le. 0.0) graupel_asy = graupel_asy+low\n if (forwice .gt. graupel_asy) forwice = graupel_asy\n! adjust results for fraction of light in forward scattering peak from nonspheric particles\n! see Appendix A in Fu (1996), equations A.2(a,b,c)\n!!! temporary to check interpolation method\n graupel_ext = (1.0 - forwice*graupel_ssa) * graupel_ext\n graupel_ssa = graupel_ssa*(1.0 - forwice) / (1.0 - forwice*graupel_ssa)\n graupel_asy = (graupel_asy - forwice) / (1.0 - forwice)\n graupel_del = forwice\n! calculate extinction and scattering coefficients per layer\n graupel_ext = graupel_ext * hydro_content(layer)\n graupel_scat = graupel_ssa * graupel_ext\n#ifdef phot_debug \n! Check to ensure all calculated quantities are within physical limits.\n if (graupel_ext .lt. 0.0 .or. graupel_ext .ne. graupel_ext )then\n write(xmsg,99960)'graupel extinction equals ', \n & graupel_ext, ' at layer = ',layer\n error_flag = .true.\n end if\n if (graupel_ssa .gt. high .or. graupel_ssa .lt. low .or. graupel_ssa .ne. graupel_ssa )then\n write(xmsg, 99960)'graupel SSA outside bounds and equals ', \n & graupel_ssa,' at layer ', layer\n call m3mesg(xmsg)\n! error_flag = .true.\n end if \n if (graupel_asy .gt. 1.0 .or. graupel_asy .lt. -1.0 .or. graupel_asy .ne. graupel_asy )then\n write(xmsg, 99960)'graupel asymmetery factor outside bounds and equals ', \n & graupel_asy,' at layer ', layer\n call m3mesg(xmsg)\n error_flag = .true.\n end if \n! if( iwl .eq. 1 .and. row_cloud .eq. 1 .and. col_cloud .eq. 1 )then\n! write(log_cloud_optics,99962)'gwc,deff_hydro,graupel_ext,graupel_scat,graupel_asy,ssa,del = ',\n! & gwc( layer ),deff_hydro(layer),graupel_ext/hydro_content(layer),graupel_scat/hydro_content(layer),\n! & graupel_asy,graupel_ssa, graupel_del\n! end if\n#endif\n cloud_aggreg_ext(layer, iwl) = cloud_aggreg_ext(layer, iwl) + graupel_ext\n cloud_aggreg_scat(layer, iwl) = cloud_aggreg_scat(layer, iwl) + graupel_scat\n cloud_aggreg_asy(layer, iwl) = cloud_aggreg_asy(layer, iwl) + (graupel_asy*graupel_scat)\n#ifdef phot_debug \n if( abs( cloud_aggreg_asy(layer, iwl) ) .gt. cloud_aggreg_scat(layer, iwl) )then\n write(logdev,99962)\n & 'gwc,deff_hydro,graupel_ext,graupel_scat,graupel_asy*graupel_scat,ssa,del, cloud_aggreg_asy = ',\n & gwc( layer ),deff_hydro(layer),graupel_ext,graupel_scat,(graupel_asy*graupel_scat),\n & graupel_ssa, graupel_del, cloud_aggreg_asy(layer, iwl), cloud_aggreg_scat(layer, iwl)\n end if\n#endif \n end do\n end do\n normalize = .true. \n end if \n \n! computed average properties: single scattering albedo and asymmetery factor\n if( .Not. normalize )RETURN\n \n forall( layer = 1:levels, iwl = 1:nwl_ref )\n cloud_aggreg_ssa(layer,iwl) = cloud_aggreg_scat(layer,iwl)/cloud_aggreg_ext(layer,iwl)\n cloud_aggreg_asy(layer,iwl) = cloud_aggreg_asy(layer,iwl)/cloud_aggreg_scat(layer,iwl)\n end forall\n#ifdef phot_debug \n! do layer = 1, nlays\n! do iwl = 1,nwl_ref\n! if( abs( cloud_aggreg_asy(layer, iwl) ) .ge. 1.0 )then \n! write(log_cloud_optics,99964)\n! & 'layer, iwln cloud_aggreg_scat, cloud_aggreg_scat, cloud_aggreg_ssa, cloud_aggreg_asy = ',\n! & layer, iwl, cloud_aggreg_ext(layer, iwl), cloud_aggreg_scat(layer, iwl), cloud_aggreg_ssa(layer, iwl), \n! & cloud_aggreg_asy(layer, iwl)\n! error_flag = .true.\n! end if\n! end do\n! end do\n if( error_flag )then\n write(xmsg,99961)'Encountered the above Errors at COLUMN = ', col_cloud,\n & ' and ROW = ', row_cloud\n call m3exit(pname,0,0,'Encountered the above Errors', XSTAT1 )\n end if\n#endif \n\n99960 format(a,es12.4,a,i3)\n99961 format(a,i5,a,i5)\n99962 format(a,1x,10(es12.4,1x),a,10(es12.4,1x))\n99964 format(a,2(1x,i3),1x,10(es12.4,1x),a,10(es12.4,1x))\n end subroutine get_aggregate_optics\n\n!-----------------------------------------------------------------------\n subroutine clear_hydrometeor_optics()\n implicit none\n!Purpose clear values for hydrometeor optical properties\n!Arguments: None\n cloud_liquid_ext = 0.0\n cloud_liquid_scat = 0.0\n cloud_liquid_ssa = 1.0\n cloud_liquid_asy = 0.0 \n cloud_ice_ext = 0.0\n cloud_ice_scat = 0.0\n cloud_ice_ssa = 1.0\n cloud_ice_asy = 0.0\n cloud_aggreg_ext = cldmin\n cloud_aggreg_scat = cldtiny\n cloud_aggreg_ssa = 1.0\n cloud_aggreg_asy = 0.0 \n end subroutine clear_hydrometeor_optics\n\n end module cloud_optics \n" }, { "path": "CCTM/src/phot/inline/CSQY_DATA.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\n\n!:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n MODULE CSQY_DATA\n\n USE RUNTIME_VARS\n\n IMPLICIT NONE\n\n CHARACTER( 32 ), PUBLIC :: JTABLE_REF\n\n INTEGER, PUBLIC :: NPHOT_REF ! # ref phot reactions\n INTEGER, PUBLIC :: NTEMP_REF ! # ref temperatures\n INTEGER, PUBLIC :: NWL_REF ! # ref wavelengths\n\n!...Names of the mapped photolysis reactions (available to chemical)\n!... mechanisms) and their pointers to the reference photolysis rxn\n\n CHARACTER( 16 ), ALLOCATABLE, PUBLIC :: PNAME_REF( : )\n\n!...Setup the Mapping from CMAQ chemical reactions to the reference data\n\n INTEGER, PUBLIC :: NPHOT_MAP ! # phot mapped reactions\n\n CHARACTER( 16 ), ALLOCATABLE, PUBLIC :: PNAME_MAP( : )\n INTEGER, ALLOCATABLE, PUBLIC :: PHOT_MAP ( : )\n\n REAL, PUBLIC, ALLOCATABLE :: STWL_REF ( : )\n REAL, PUBLIC, ALLOCATABLE :: EFFWL_REF( : )\n REAL, PUBLIC, ALLOCATABLE :: ENDWL_REF( : )\n\n REAL, ALLOCATABLE, PUBLIC :: CLD_BETA_REF ( : ) ! cloud extinction coef divided by LWC\n REAL, ALLOCATABLE, PUBLIC :: CLD_COALBEDO_REF( : ) ! cloud coalbedo\n REAL, ALLOCATABLE, PUBLIC :: CLD_G_REF ( : ) ! cloud asymmetry factor\n\n REAL, ALLOCATABLE, PUBLIC :: FSOLAR_REF( : ) ! initial solar flux [photons*cm-2*s-1]\n\n REAL, ALLOCATABLE, PUBLIC :: TEMP_BASE ( : ) ! reference temperatures\n REAL, ALLOCATABLE, PUBLIC :: TEMP_REF( :,: ) ! reference temperatures\n\n REAL, ALLOCATABLE, PUBLIC :: CS_REF ( :,:,: ) ! effective cross sections\n REAL, ALLOCATABLE, PUBLIC :: QY_REF ( :,:,: ) ! effective quantum yields\n REAL, ALLOCATABLE, PUBLIC :: ECS_REF( :,:,: ) ! CS*QY averaged UCI Solar Flux\n\n INTEGER, PUBLIC :: NTEMP_STRAT_REF ! number of stratos temperatures\n REAL, ALLOCATABLE, PUBLIC :: TEMP_STRAT_REF( : ) ! temperature for stratos O3 xcross, K\n REAL, ALLOCATABLE, PUBLIC :: O3_CS_STRAT_REF( :,: ) ! ozone xcross at stratos temperatures, cm2\n\n!... effective quantum yields were computed by performing separate\n!... interval integrations for the cross sections and for the\n!... effective cross sections (cs*qy) (calculated on the finer\n!... wavelength grid. The effective quantum yield values\n!... were then calculated for the 7 wavelength intervals by\n!... dividing the effective cross sections by the interval average\n!... cross sections (eQY=eCS/CS).\n\n REAL, ALLOCATABLE, PUBLIC :: EQY_REF( :,:,: ) ! eCS/CS averaged 77 bins in UCI Model\n\n INTEGER, PUBLIC :: NUM_REFRACTIVE\n\n TYPE MODAL_COMPLEX\n CHARACTER( 16 ) :: NAME ! name of complex property\n REAL, ALLOCATABLE, DIMENSION( :, : ) :: REAL_PART ! real part\n REAL, ALLOCATABLE, DIMENSION( :, : ) :: IMAG_PART ! imaginary part\n END TYPE MODAL_COMPLEX\n\n TYPE( MODAL_COMPLEX ), ALLOCATABLE, PUBLIC :: REFRACTIVE_INDEX( : )\n\n INTEGER, PUBLIC :: IWLR ! wavelength loop variable\n INTEGER, PUBLIC :: ITTR ! temperature loop variable\n\n! arrays for the size and optical properties of liquid droplets. The latter\n! is a function of radius and wavelength\n INTEGER, PUBLIC :: NRADIUS_LIQUID\n\n REAL, ALLOCATABLE, PUBLIC :: RADIUS_LIQUID( : ) ! droplet radius, um\n REAL, PUBLIC :: INIT_RADIUS_LIQUID\n REAL, PUBLIC :: MAXI_RADIUS_LIQUID\n REAL, PUBLIC :: MINI_RADIUS_LIQUID\n REAL, PUBLIC :: FREQ_RADIUS_LIQUID\n\n REAL, ALLOCATABLE, PUBLIC :: LIQUID_EXTINCT( :, : ) ! extinction coefficient, m**3/g\n REAL, ALLOCATABLE, PUBLIC :: LIQUID_ASYMFACT( :, : ) ! asymmetery factor, dimensionaless\n REAL, ALLOCATABLE, PUBLIC :: LIQUID_COALBEDO( :, : ) ! One minus single scattering albebo, dimensionaless\n\n! arrays for the size and optical properties of ice particles. The latter\n! is a function of effective diameter and wavelength\n\n INTEGER, PUBLIC :: NDIAMETER_ICE\n\n REAL, ALLOCATABLE, PUBLIC :: DIAMETER_ICE( : ) ! particle effective diameter, um\n REAL, PUBLIC :: INIT_DIAMETER_ICE\n REAL, PUBLIC :: MAXI_DIAMETER_ICE\n REAL, PUBLIC :: MINI_DIAMETER_ICE\n REAL, PUBLIC :: FREQ_DIAMETER_ICE\n\n REAL, ALLOCATABLE, PUBLIC :: ICE_EXTINCT( :, : ) ! extinction coefficient, m**3/g\n REAL, ALLOCATABLE, PUBLIC :: ICE_ASYMFACT( :, : ) ! asymmetery factor, dimensionaless\n REAL, ALLOCATABLE, PUBLIC :: ICE_COALBEDO( :, : ) ! One minus single scattering albebo, dimensionaless\n REAL, ALLOCATABLE, PUBLIC :: ICE_DELTRANS( :, : ) ! Delta Transmission Function at zero scattering angle, dimensionaless\n\n PUBLIC :: LOAD_CSQY_DATA, LOAD_OPTICS_DATA, GET_CSQY\n\n\n!***Information for photolysis\n\n INTEGER, SAVE :: NWL ! number of wavelengths\n! INTEGER, PARAMETER :: NWL_INLINE_METHOD = 7\n\n INTEGER JWAVE ! index use for wavelength\n INTEGER ITEMP ! index for temperature\n INTEGER IRRXN\n\n REAL, ALLOCATABLE :: WAVELENGTH( : ) ! effective wavelengths [nm ]\n REAL, ALLOCATABLE :: WAVENUMBER( : ) ! effective wavenumbers [cm-1]\n\n REAL, ALLOCATABLE :: FEXT( : ) ! downward solar direct flux at the top of\n ! of the Atmosphere. [ photons / ( cm **2 s) ]\n\n!***surface albedo\n\n REAL, ALLOCATABLE :: ALB( : ) ! set in subroutine PHOT\n\n!**Cloud albedo values from JPROC\n\n REAL, ALLOCATABLE :: CLOUD_BETA_LWC( : ) ! cloud extinction coef divided by LWC\n REAL, ALLOCATABLE :: CLOUD_COALBEDO( : ) ! cloud coalbedo\n REAL, ALLOCATABLE :: CLOUD_G( : ) ! cloud asymmetry factor\n\n INTEGER :: NTEMP_STRAT\n REAL, ALLOCATABLE :: XO3CS( :,: ) !\n REAL, ALLOCATABLE :: TEMP_O3_STRAT( : ) ! temperature for XO3CS, K\n\n!***arrays for reference data for needed photolysis rates\n\n REAL, ALLOCATABLE :: XXCS( :,:,: ) ! absorption cross sections\n REAL, ALLOCATABLE :: XXQY( :,:,: ) ! quantum yield\n REAL, ALLOCATABLE :: RTEMP_S( :,: )\n\n INTEGER :: MECHANISM_RATES\n CHARACTER(16), ALLOCATABLE :: PHOTOLYSIS_RATE( : ) ! subset of photolysis rates from CSQY DATA\n\n!***Indices for special case photolysis cross sections\n\n INTEGER :: LNO2\n INTEGER :: LO3O1D\n INTEGER :: LO3O3P\n INTEGER :: LACETONE\n INTEGER :: LKETONE\n INTEGER :: LMGLY_ADJ\n INTEGER :: LMGLY_ABS\n INTEGER :: LHCHOR_06\n INTEGER :: LH2O2\n INTEGER :: LHNO3\n INTEGER :: LACETONE_CO\n INTEGER :: LACETONE_CH3CO\n\n LOGICAL :: ACETONE_CHANNELS\n\n! integer pointer for specific density correction to cross-section\n! and/or quantum yield values\n INTEGER, PARAMETER :: ACETALDEHYDE = 1\n INTEGER, PARAMETER :: HIGHER_ALDEHYDES = 2\n INTEGER, PARAMETER :: METHYL_VINYL_KETONE = 3\n INTEGER, PARAMETER :: METHYL_ACROLEIN = 4\n INTEGER, PARAMETER :: METHYL_ETHYL_KETONE = 5\n INTEGER, PARAMETER :: METHYL_GLYOXAL_IUPAC04 = 6\n INTEGER, PARAMETER :: ACROLEIN = 7\n INTEGER, PARAMETER :: FORMALDEHYDE_MOLECULAR = 8\n INTEGER, PARAMETER :: ACETONE = 9\n INTEGER, PARAMETER :: KETONE_LEGACY = 10\n INTEGER, PARAMETER :: KETONE_RACM2 = 11\n INTEGER, PARAMETER :: GLYOXAL_RACM2 = 12\n INTEGER, PARAMETER :: METHYL_GLYOXAL_LEGACY = 13\n INTEGER, PARAMETER :: NBUTYRALDEHYDE = 14\n INTEGER, PARAMETER :: BIACETYL = 15\n INTEGER, PARAMETER :: ACETONE_CH3CO = 16\n INTEGER, PARAMETER :: GLYOXAL_IUPAC_2013 = 17\n INTEGER, PARAMETER :: CH3CHO_IUPAC2013 = 18\n\n CHARACTER( 32 ) :: CSQY_ADJUSTMENTS( 0:18 )\n DATA CSQY_ADJUSTMENTS /\n & 'NO_ADJUSTMENT',\n & 'ACETALDEHYDE',\n & 'HIGHER_ALDEHYDES',\n & 'METHYL_VINYL_KETONE',\n & 'METHYL_ACROLEIN',\n & 'METHYL_ETHYL_KETONE',\n & 'METHYL_GLYOXAL_IUPAC04',\n & 'ACROLEIN',\n & 'FORMALDEHYDE_MOLECULAR',\n & 'ACETONE',\n & 'KETONE_LEGACY',\n & 'KETONE_RACM2',\n & 'GLYOXAL_RACM2',\n & 'METHYL_GLYOXAL_LEGACY',\n & 'NBUTYRALDEHYDE',\n & 'BIACETYL',\n & 'ACETONE_CH3CO',\n & 'GLYOXAL_IUPAC_2013',\n & 'CH3CHO_IUPAC2013' /\n\n! integer pointer for density correction to a photolysis rates' cross-section\n! and/or quantum yield values\n INTEGER, ALLOCATABLE :: CSQY_ADJUST( : )\n\n REAL, ALLOCATABLE :: IPHI0_MGLY( : ) ! Reciprocal Methyl Glyoxal Quantum Yields at zero pressure\n REAL, ALLOCATABLE :: KMGLY ( : ) ! Quenching Coefficient for Methyl Glyoxal Quantum Yields\n\n! coefficients used correct acetaldehyde Quantum Yields based on IUPAC 2013 recommendations\n REAL, ALLOCATABLE :: IPHIS_CH3CHO( : ) ! Reciprocal acetaldehyde Quantum Yields at surface pressure\n REAL, ALLOCATABLE :: IPHI0_CH3CHO( : ) ! Reciprocal acetaldehyde Quantum Yields at zero pressure\n REAL, ALLOCATABLE :: KCH3CHO ( : ) ! Quenching Coefficient for acetaldehyde Quantum Yields\n\n\n\n INTEGER :: IREFTEMPS ! number of ref. temperatures\n\n INTEGER :: NUMB_LANDUSE_REF\n INTEGER :: INDEX_GRASSLAND_REF\n INTEGER :: INDEX_OCEAN_REF\n INTEGER :: INDEX_SEA_ICE\n\n CHARACTER(30), ALLOCATABLE :: LANDUSE_REF( : )\n REAL, ALLOCATABLE :: ZENITH_COEFF_REF( : )\n REAL, ALLOCATABLE :: SEASON_COEFF_REF( : )\n REAL, ALLOCATABLE :: SNOW_COEFF_REF( : )\n REAL, ALLOCATABLE :: SPECTRAL_ALBEDO_REF( :,: )\n\n INTEGER, PARAMETER :: NUMB_EXPECT_NLCD50 = 50\n INTEGER :: NUMB_LANDUSE_NLCD50\n CHARACTER(60), ALLOCATABLE :: LANDUSE_NLCD50( : )\n INTEGER, ALLOCATABLE :: ALBMAP_REF2NLCD50( : )\n REAL, ALLOCATABLE :: ALBFAC_REF2NLCD50( : )\n\n INTEGER, PARAMETER :: NUMB_EXPECT_NLCD40 = 40\n INTEGER, SAVE :: NUMB_LANDUSE_NLCD40\n CHARACTER(60), ALLOCATABLE :: LANDUSE_NLCD40( : )\n INTEGER, ALLOCATABLE :: ALBMAP_REF2NLCD40( : )\n REAL, ALLOCATABLE :: ALBFAC_REF2NLCD40( : )\n\n INTEGER, PARAMETER :: NUMB_EXPECT_USGS = 24\n INTEGER :: NUMB_LANDUSE_USGS\n CHARACTER(60), ALLOCATABLE :: LANDUSE_USGS( : )\n INTEGER, ALLOCATABLE :: ALBMAP_REF2USGS( : )\n REAL, ALLOCATABLE :: ALBFAC_REF2USGS( : )\n\n INTEGER, PARAMETER :: NUMB_EXPECT_MODIS = 33\n INTEGER :: NUMB_LANDUSE_MODIS\n CHARACTER(60), ALLOCATABLE :: LANDUSE_MODIS( : )\n INTEGER, ALLOCATABLE :: ALBMAP_REF2MODIS( : )\n REAL, ALLOCATABLE :: ALBFAC_REF2MODIS( : )\n\n LOGICAL :: NO_NLCD40\n LOGICAL :: WRITE_CELL\n\n!***special information for acetone\n!*** Reference:\n!*** Cameron-Smith, P., Incorporation of non-linear\n!*** effective cross section parameterization into a\n!*** fast photolysis computation code (Fast-J)\n!*** Journal of Atmospheric Chemistry, Vol. 37,\n!*** pp 283-297, 2000.\n\n INTEGER, PARAMETER :: NWL_ACETONE_FJX = 7\n\n REAL :: OP0( 2, NWL_ACETONE_FJX ) ! variable needed for acetone\n\n DATA ( OP0( 1, JWAVE ), JWAVE = 1, NWL_ACETONE_FJX ) /\n & 2.982E-20, 1.301E-20, 4.321E-21, 1.038E-21,\n & 5.878E-23, 1.529E-25, 0.0/\n\n DATA ( OP0( 2, JWAVE ), JWAVE = 1, NWL_ACETONE_FJX ) /\n & 3.255E-20, 1.476E-20, 5.179E-21, 1.304E-21,\n & 9.619E-23, 2.671E-25, 0.0 /\n\n REAL :: YY30( NWL_ACETONE_FJX ) ! variable needed for acetone\n\n DATA YY30 / 5.651E-20, 1.595E-19, 2.134E-19,\n & 1.262E-19, 1.306E-19, 1.548E-19, 0.0 /\n\n REAL :: OPTT ! variable needed for acetone\n\n CONTAINS\n\n SUBROUTINE LOAD_CSQY_DATA ( )\n!-----------------------------------------------------------------------\n! Purpose: read input file for\n! -wavelength bin and temperature structure.\n! -photolysis cross-sections and quantum\n!\n! Revision History:\n! 31 Jan 2014 B.Hutzell: Initial Version based on LOAD_REF_DATA in\n! CMAQ version 5.0\n! 07 Jul 14 B.Hutzell: replaced mechanism include file(s) with fortran module\n!-----------------------------------------------------------------------\n\n USE UTILIO_DEFN\n USE RXNS_DATA ! chemical mechanism data\n\n IMPLICIT NONE\n\n!***arguments\n\nC NONE\n\n!***local\n\n LOGICAL :: WRITE_LOG = .TRUE.\n\n CHARACTER( 32 ) :: PNAME = 'LOAD_CSQY_DATA'\n CHARACTER( 16 ) :: CSQY_FILE = 'CSQY_DATA' ! CSQY_DATA i/o logical name\n CHARACTER( 16 ) :: PHOT_EXPECT\n CHARACTER( 30 ) :: LAND_EXPECT\n CHARACTER( 120 ) :: MSG ! buffer for messages to output\n CHARACTER( 240 ) :: FILE_LINE\n\n CHARACTER( 16 ), ALLOCATABLE :: AE_RERACT_REF( : )\n\n! INTEGER, INTENT(OUT) :: NWL_PHOT ! # of wavelengths used in PHOT_MOD.F\n INTEGER :: NWL_PHOT ! # of wavelengths used in PHOT_MOD.F\n INTEGER :: IOST ! IOST returned from OPEN function\n INTEGER :: JDATE = 0\n INTEGER :: PHOTAB_UNIT\n INTEGER :: IPHOT, IPHOT_LOAD ! loop indices\n INTEGER :: ITT, ITT_LOAD ! loop indices\n INTEGER :: IP_MAP, IP_REF ! photolysis reaction indicies\n INTEGER :: IWL, IWL_LOAD\n INTEGER :: STRT, FINI\n\n\n INTEGER :: NAE_REFRACT_REF\n\n REAL, ALLOCATABLE :: AE_IMAG_REFRACT( :, : )\n REAL, ALLOCATABLE :: AE_REAL_REFRACT( :, : )\n\n LOGICAL :: ERROR_FLAG = .FALSE.\n\n!***external functions: none\n\n PHOTAB_UNIT = GETEFILE( CSQY_FILE, .TRUE., .TRUE., PNAME )\n\n IF ( PHOTAB_UNIT .LT. 0 ) THEN\n MSG = 'Error opening the CSQY data file: ' // TRIM( CSQY_FILE )\n CALL M3WARN ( PNAME, 0, 0, MSG )\n ERROR_FLAG = .TRUE.\n END IF\n\nC...begin read\n\n READ( PHOTAB_UNIT,'(22X,A32)' ) JTABLE_REF\n\n IF ( JTABLE_REF .NE. MECHNAME ) THEN\n MSG = 'WARNING: JTABLE mechanism is for ' // JTABLE_REF\n & // ' but gas chemistry name is ' // MECHNAME\n CALL M3WARN( PNAME, 0, 0, MSG )\n END IF\n\n READ( PHOTAB_UNIT,'(10X,I4)' ) NPHOT_MAP\n\n IF ( NPHOT_MAP .LT. NPHOTAB ) THEN\n WRITE( MSG,'( A,1X,I4,1X,A,1X,I4)')\n & 'Error: CSQY data file has',NPHOT_MAP,\n & 'rates but the need number is',NPHOTAB\n CALL M3WARN( PNAME, 0, 0, MSG )\n ERROR_FLAG = .TRUE.\n END IF\n\n\n#ifdef verbose_phot\n write( LOGDEV,'(A,a32)' )'JTABLE_REF = ',trim(jtable_ref)\n write( LOGDEV,'(A,10x,i4)' )'NPHOT_MAP = ', nphot_map\n#endif\n\n READ( PHOTAB_UNIT,'(A)' ) FILE_LINE\n\n ALLOCATE( PNAME_MAP( NPHOT_MAP ) )\n ALLOCATE( PNAME_REF( NPHOT_MAP ) )\n ALLOCATE( PHOT_MAP ( NPHOT_MAP ) )\n\n DO IPHOT_LOAD = 1, NPHOT_MAP\n READ( PHOTAB_UNIT,'(A16)' ) PNAME_REF( IPHOT_LOAD )\n\n#ifdef verbose_phot\n write( LOGDEV,'(i3,1x,a16)' ) iphot_load, pname_ref( iphot_load )\n#endif\n\n PNAME_MAP( IPHOT_LOAD ) = PNAME_REF( IPHOT_LOAD )\n PHOT_MAP ( IPHOT_LOAD ) = IPHOT_LOAD\n END DO\n\n READ( PHOTAB_UNIT,'(10X,I3)' ) NTEMP_REF\n\n#ifdef verbose_phot\n write( LOGDEV,'(10x,i3)' ) ntemp_ref\n#endif\n\n READ( PHOTAB_UNIT,'(A)' ) FILE_LINE\n\n#ifdef verbose_phot\n write( LOGDEV,* ) trim( file_line )\n#endif\n\n IREFTEMPS = NTEMP_REF\n\n ALLOCATE( TEMP_BASE( NTEMP_REF ) )\n\n DO ITT_LOAD = 1, NTEMP_REF\n READ( PHOTAB_UNIT,'(A)' ) FILE_LINE\n\n#ifdef verbose_phot\n write( LOGDEV,* ) trim( file_line )\n#endif\n\n READ( FILE_LINE,* ) IPHOT_LOAD, TEMP_BASE( ITT_LOAD )\n\n#ifdef verbose_phot\n write( LOGDEV,'(4x,f6.2)' ) temp_base( itt_load )\n#endif\n\n END DO\n\n ALLOCATE( TEMP_REF( NTEMP_REF, NPHOT_MAP) )\n\n DO ITT_LOAD = 1, 15 ! skip next 15 lines\n READ( PHOTAB_UNIT,'(A)' ) FILE_LINE\n#ifdef verbose_phot\n write( LOGDEV, '(I2,1X,A)' )ITT_LOAD,TRIM(FILE_LINE)\n#endif\n END DO\n\n READ( PHOTAB_UNIT,'(A)' ) FILE_LINE\n\n#ifdef verbose_phot\n write( LOGDEV, '(A)' )TRIM(FILE_LINE)\n#endif\n READ( FILE_LINE, 4999) NWL_REF\n\n#ifdef verbose_phot\n write( LOGDEV,'(17x,i3)' ) nwl_ref\n#endif\n\n\n4999 FORMAT(17X,I3,2X,17X,I3)\n\n\n NWL = NWL_REF\n NWL_PHOT = NWL\n\n\n IF ( NWL_REF .LT. 1 ) THEN\n WRITE( LOGDEV,* ) 'NWL_REF = ', NWL_REF\n MSG = 'NWL_REF in ' // CSQY_FILE\n & // ' has the bad value, written above. '\n CALL M3EXIT( PNAME, 0, 0, MSG, -1 )\n END IF\n\n READ( PHOTAB_UNIT,'(A)' ) FILE_LINE\n#ifdef verbose_phot\n write( LOGDEV, * )FILE_LINE\n#endif\n\n IF( .NOT. ALLOCATED( STWL_REF ) ) ALLOCATE( STWL_REF ( NWL_REF ) )\n IF( .NOT. ALLOCATED( ENDWL_REF ) ) ALLOCATE( ENDWL_REF ( NWL_REF ) )\n IF( .NOT. ALLOCATED( FSOLAR_REF ) ) ALLOCATE( FSOLAR_REF( NWL_REF ) )\n IF( .NOT. ALLOCATED( EFFWL_REF ) ) ALLOCATE( EFFWL_REF ( NWL_REF ) )\n IF( .NOT. ALLOCATED( FEXT ) ) ALLOCATE( FEXT ( NWL_REF ) )\n IF( .NOT. ALLOCATED( WAVELENGTH ) ) ALLOCATE( WAVELENGTH( NWL_REF ) )\n IF( .NOT. ALLOCATED( WAVENUMBER ) ) ALLOCATE( WAVENUMBER( NWL_REF ) )\n\n DO IWL_LOAD = 1, NWL_REF\n! READ( PHOTAB_UNIT,'(4X,3(F8.3,2X),2X,ES12.4,2X,2(F8.3,2X),ES12.4,2X)' )\n READ( PHOTAB_UNIT, * )iphot_load,\n & STWL_REF( IWL_LOAD ), EFFWL_REF( IWL_LOAD ),\n & ENDWL_REF( IWL_LOAD ), FSOLAR_REF( IWL_LOAD )\n\n#ifdef verbose_phot\n write( LOGDEV,'(4x,3(f8.3,2x),2x,2(es12.4,2x),f8.3,2x,12(es12.4,2x))' )\n & stwl_ref( iwl_load ), effwl_ref( iwl_load ),\n & endwl_ref( iwl_load ),fsolar_ref( iwl_load )\n#endif\n WAVELENGTH( IWL_LOAD ) = EFFWL_REF ( IWL_LOAD )\n WAVENUMBER( IWL_LOAD ) = 1.0E7 / EFFWL_REF ( IWL_LOAD )\n FEXT ( IWL_LOAD ) = FSOLAR_REF( IWL_LOAD )\n END DO\n\n\n READ( PHOTAB_UNIT,'(A)' ) FILE_LINE\n READ( PHOTAB_UNIT,'(A)' ) FILE_LINE\n READ( PHOTAB_UNIT,'(A)' ) FILE_LINE\n READ( PHOTAB_UNIT,'(A)' ) FILE_LINE\n\n ALLOCATE( CS_REF ( NWL_REF, NTEMP_REF, NPHOT_MAP ) )\n ALLOCATE( QY_REF ( NWL_REF, NTEMP_REF, NPHOT_MAP ) )\n ALLOCATE( EQY_REF( NWL_REF, NTEMP_REF, NPHOT_MAP ) )\n ALLOCATE( ECS_REF( NWL_REF, NTEMP_REF, NPHOT_MAP ) )\n\n CS_REF = 0.0\n QY_REF = 0.0\n EQY_REF = 0.0\n ECS_REF = 0.0\n\n DO IPHOT_LOAD = 1, NPHOT_MAP\n DO ITT_LOAD = 1, NTEMP_REF\n READ( PHOTAB_UNIT,'(A16,7X,F8.3,1X,40(1PE12.6,2X))' )\n & PHOT_EXPECT, TEMP_REF( ITT_LOAD, IPHOT_LOAD),\n & ( CS_REF( IWL_LOAD, ITT_LOAD, IPHOT_LOAD ), IWL_LOAD = 1, NWL_REF )\n\n#ifdef verbose_phot\n write( LOGDEV,'(a16,7x,f8.3,1x,40(1pe13.6,2x))' )\n & phot_expect, temp_ref( itt_load, iphot_load),\n & ( cs_ref( iwl_load, itt_load, iphot_load ), iwl_load = 1, nwl_ref )\n#endif\n\n IF ( PHOT_EXPECT .NE. PNAME_REF( IPHOT_LOAD ) ) THEN\n MSG = 'CS for ' // TRIM( PHOT_EXPECT )\n & // ' does match the order the PHOT_MAP array.'\n CALL M3EXIT( PNAME, 0, 0, MSG, -1 )\n END IF\n\n READ( PHOTAB_UNIT,'(A16,7X,F8.3,1X,40(1PE12.6,2X))' )\n & PHOT_EXPECT, TEMP_REF( ITT_LOAD, IPHOT_LOAD),\n & ( EQY_REF( IWL_LOAD, ITT_LOAD, IPHOT_LOAD ), IWL_LOAD = 1, NWL_REF )\n\n QY_REF( 1:NWL_REF, ITT_LOAD, IPHOT_LOAD ) = EQY_REF( 1:NWL_REF, ITT_LOAD, IPHOT_LOAD )\n\n#ifdef verbose_phot\n write( LOGDEV,'(a16,7x,f8.3,1x,40(1pe13.6,2x))' )\n & phot_expect, temp_ref( itt_load, iphot_load),\n & ( qy_ref( iwl_load, itt_load, iphot_load ), iwl_load = 1, nwl_ref )\n#endif\n\n IF ( PHOT_EXPECT .NE. PNAME_REF(IPHOT_LOAD) ) THEN\n MSG = 'EQY for ' // TRIM( PHOT_EXPECT )\n & // ' does match the order the PHOT_MAP array.'\n CALL M3WARN( PNAME, 0, 0, MSG )\n ERROR_FLAG = .TRUE.\n END IF\n END DO\n END DO\n\n DO ITT_LOAD = 1, 3 ! skip next 3 lines\n READ( PHOTAB_UNIT,'(A)' ) FILE_LINE\n END DO\n\n READ( PHOTAB_UNIT,'(15X,I3)' ) NTEMP_STRAT_REF\n\n#ifdef verbose_phot\n write( LOGDEV,'(16x,i3)' ) ntemp_strat_ref\n#endif\n\n ALLOCATE( TEMP_STRAT_REF ( NTEMP_STRAT_REF ) )\n ALLOCATE( O3_CS_STRAT_REF( NWL_REF, NTEMP_STRAT_REF ) )\n\n READ( PHOTAB_UNIT,'(A)' ) FILE_LINE\n\n DO ITT_LOAD = 1, NTEMP_STRAT_REF\n READ( PHOTAB_UNIT,'(A16,7X,F8.3,1X,40(1PE12.6,2X))' )\n & PHOT_EXPECT, TEMP_STRAT_REF( ITT_LOAD ),\n & ( O3_CS_STRAT_REF( IWL_LOAD, ITT_LOAD ), IWL_LOAD = 1, NWL_REF )\n\n#ifdef verbose_phot\n write( LOGDEV,'(a16,7x,f8.3,1x,40(1pe13.6,2x))' )\n & phot_expect, temp_strat_ref( itt_load ),\n & ( o3_cs_strat_ref( iwl_load, itt_load ), iwl_load = 1, nwl_ref )\n#endif\n\n IF ( PHOT_EXPECT .NE. 'O3_STRAT' ) THEN\n MSG = 'O3_STRAT not found at expected location in CSQY_FILE. ' //\n & TRIM( PHOT_EXPECT ) // ' found.'\n CALL M3WARN( PNAME, 0, 0, MSG )\n ERROR_FLAG = .TRUE.\n END IF\n END DO\n\n\n NTEMP_STRAT = NTEMP_STRAT_REF\n ALLOCATE( TEMP_O3_STRAT( NTEMP_STRAT_REF ) )\n ALLOCATE( XO3CS ( NTEMP_STRAT_REF, NWL_PHOT ) )\n\n DO ITT_LOAD = 1, NTEMP_STRAT_REF\n TEMP_O3_STRAT( ITT_LOAD ) = TEMP_STRAT_REF( ITT_LOAD )\n DO IWL_LOAD = 1, NWL_PHOT\n XO3CS( ITT_LOAD, IWL_LOAD ) = O3_CS_STRAT_REF( IWL_LOAD, ITT_LOAD )\n END DO\n END DO\n\n!***initialize pointers for mandatory photolysis rates\n\n LNO2 = 0\n LO3O1D = 0\n LO3O3P = 0\n LACETONE = 0\n LKETONE = 0\n LMGLY_ADJ = 0\n LMGLY_ABS = 0\n LHCHOR_06 = 0\n LH2O2 = 0\n LHNO3 = 0\n\n! initialized pointers and flag if specific acetone channel are used\n LACETONE_CO = 0\n LACETONE_CH3CO = 0\n ACETONE_CHANNELS = .FALSE.\n\n!***get needed photolysis data for the model chemistry from the\n!***CSQY_DATA\n\n ALLOCATE( PHOTOLYSIS_RATE ( NPHOTAB ) )\n ALLOCATE( XXCS( IREFTEMPS, NWL, NPHOTAB ) )\n ALLOCATE( XXQY( IREFTEMPS, NWL, NPHOTAB ) )\n ALLOCATE( RTEMP_S( IREFTEMPS, NPHOTAB ) )\n\n MECHANISM_RATES = NPHOTAB\n\n\n DO IPHOT = 1, NPHOTAB\n IP_MAP = INDEXR( PHOTAB( IPHOT ), NPHOT_MAP, PNAME_MAP )\n IF ( IP_MAP .LE. 0 ) THEN\n MSG = 'FATAL ERROR: photolysis reaction ' // TRIM( PHOTAB( IPHOT ) )\n & // ' not found in ' //\n & 'the reference data! '\n ERROR_FLAG = .TRUE.\n CALL M3WARN ( PNAME, 0, 0, MSG )\n CYCLE\n END IF\n IP_REF = PHOT_MAP( IP_MAP )\n PHOTOLYSIS_RATE( IPHOT ) = PNAME_MAP( IP_MAP )\n\n!***check to see if this photolysis reaction is a special case that\n!*** is referenced in other sections of the code. if so, then set\n!*** the appropriate pointers for later processing\n\n SELECT CASE ( PHOTOLYSIS_RATE( IPHOT ) )\n CASE( 'O3O3P', 'O3O3P_SAPRC99', 'O3O3P_06', 'O3_O3P_IUPAC04', 'O3O3P_NASA06', 'O3_O3P_IUPAC10' )\n LO3O3P = IPHOT\n CASE( 'NO2', 'NO2_SAPRC99', 'NO2_06', 'NO2_RACM2', 'NO2_IUPAC10' )\n LNO2 = IPHOT\n CASE( 'O3O1D', 'O3O1D_SAPRC99' , 'O3O1D_06', 'O3_O1D_IUPAC04', 'O3O1D_NASA06', 'O3_O1D_IUPAC10' )\n LO3O1D = IPHOT\n CASE( 'KETONE', 'KET_RACM2', 'KET_JGR19' )\n LKETONE = IPHOT\n CASE( 'MGLY_ADJ' )\n LMGLY_ADJ = IPHOT\n CASE( 'MGLY_ABS' )\n LMGLY_ABS = IPHOT\n CASE( 'ACETONE', 'CH3COCH3_RACM2', 'ACET_IUPAC10' )\n IF( NWL .EQ. NWL_ACETONE_FJX ) LACETONE = IPHOT\n CASE( 'HCHOR_06', 'HCHO_R_SAPRC99', 'HCHO_RAD_RACM2', 'FORM_R_IUPAC10', \n & 'FORM_R_IUPAC13', 'HCHO_R_MCMv32', 'HCHO_RAD_JPL19' )\n LHCHOR_06 = IPHOT\n CASE( 'ACET_CH3CO_CRI', 'CH3COCH3A_JPL19' )\n LACETONE_CH3CO = IPHOT\n ACETONE_CHANNELS = .TRUE.\n CASE( 'H2O2', 'H2O2_SAPRC99', 'H2O2_RACM2', 'H2O2_IUPAC10' )\n LH2O2 = IPHOT\n CASE( 'HNO3', 'HNO3_IUPAC04', 'HNO3_IUPAC10', 'HNO3_RACM2' )\n LHNO3 = IPHOT\n END SELECT\n\n\n\n!***load the local cross section & quantum yield data from the reference\n!*** dataset for this photolysis reaction\n\n DO ITT = 1, IREFTEMPS\n RTEMP_S( ITT, IPHOT ) = TEMP_REF( ITT, IP_REF )\n DO IWL = 1, NWL\n XXCS( ITT, IWL, IPHOT ) = CS_REF( IWL, ITT, IP_REF )\n XXQY( ITT, IWL, IPHOT ) = QY_REF( IWL, ITT, IP_REF )\n END DO ! iwl\n END DO ! itt\n\n END DO ! iphot\n\n IF ( LNO2 .EQ. 0 ) THEN\n MSG = 'NO2 cross-section not found in the CSQY data! '\n ERROR_FLAG = .TRUE.\n CALL M3WARN ( PNAME, 0, 0, MSG )\n END IF\n IF ( LO3O1D .EQ. 0 ) THEN\n MSG = 'O3(1D) production not found in the CSQY data! '\n CALL M3WARN ( 'NEW_OPTICS', 0, 0, MSG )\n END IF\n IF ( LO3O3P .EQ. 0 ) THEN\n MSG = 'O3 cross-section not found in the CSQY data! '\n ERROR_FLAG = .TRUE.\n CALL M3WARN ( PNAME, 0, 0, MSG )\n END IF\n IF ( LH2O2 .EQ. 0 ) THEN\n MSG = 'H2O2 cross-section not found in the CSQY data! '\n ERROR_FLAG = .TRUE.\n CALL M3WARN ( PNAME, 0, 0, MSG )\n END IF\n IF ( LHNO3 .EQ. 0 ) THEN\n MSG = 'HNO3 cross-section not found in the CSQY data! '\n ERROR_FLAG = .TRUE.\n CALL M3WARN ( PNAME, 0, 0, MSG )\n END IF\n\n IF( ERROR_FLAG )THEN\n MSG = 'The above fatal error(s) found in CSQY data! '\n CALL M3EXIT( PNAME, 0, 0, MSG, -1 )\n END IF\n\n CLOSE(PHOTAB_UNIT)\n\n5012 FORMAT( 4X,A30,1X,3(F8.3,2X) )\n5013 FORMAT( 22X,I3 )\n5016 FORMAT( 4X,A60,1X,I3,2X,3(F8.3,2X) )\n\n#ifdef verbose_phot\n6009 format( a3,', ',8(a,', ') )\n6013 format( a22,1x,i3 )\n6016 format( i3,1x,a60,1x,i3,2x,3(f8.3,2x) )\n#endif\n\n RETURN\n END SUBROUTINE LOAD_CSQY_DATA\n\n\n\n SUBROUTINE LOAD_OPTICS_DATA()\n!-----------------------------------------------------------------------\n! Purpose: read input file for\n! -wavelength bin for cross check against\n! -size dependent optical data for liquid droplets and ice\n! ice particles\n! -landuse type data for surface alebdo\n!\n! Revision History:\n! 31 Jan 2014 B.Hutzell: Initial Version based on LOAD_REF_DATA in\n! CMAQ version 5.0\n!-----------------------------------------------------------------------\n\n USE UTILIO_DEFN\n USE AERO_DATA, ONLY: N_MODE\n\n IMPLICIT NONE\n\n!***arguments\n\n REAL, PARAMETER :: EPSILON = 1.0E-6 ! small number\n\n!***local\n\n LOGICAL :: WRITE_LOG = .TRUE.\n\n CHARACTER( 32 ) :: PNAME = 'LOAD_OPTICS_DATA'\n CHARACTER( 16 ) :: OPTICS_FILE = 'OPTICS_DATA' ! OPTICS_DATA i/o logical name\n CHARACTER( 16 ) :: OPTICS_EXPECT\n CHARACTER( 16 ) :: QUANTITY\n CHARACTER( 30 ) :: LAND_EXPECT\n CHARACTER( 120 ) :: MSG ! buffer for messages to output\n CHARACTER( 240 ) :: FILE_LINE\n\n CHARACTER( 16 ), ALLOCATABLE :: AE_RERACT_REF( : )\n\n! INTEGER, INTENT(OUT) :: NWL_OPTICS ! # of wavelengths used in PHOT_MOD.F\n INTEGER :: NWL_OPTICS ! # of wavelengths used in PHOT_MOD.F\n INTEGER :: IOST ! IOST returned from OPEN function\n INTEGER :: JDATE = 0\n INTEGER :: OPTICS_UNIT\n INTEGER :: IPHOT, IPHOT_LOAD ! loop indices\n INTEGER :: ITT, ITT_LOAD ! loop indices\n INTEGER :: IP_MAP, IP_REF ! photolysis reaction indicies\n INTEGER :: IWL_LOAD\n INTEGER :: STRT, FINI\n\n INTEGER :: NAE_REFRACT_REF\n\n REAL, ALLOCATABLE :: AE_IMAG_REFRACT( :, : )\n REAL, ALLOCATABLE :: AE_REAL_REFRACT( :, : )\n REAL :: DELTA\n\n LOGICAL :: ERROR_FLAG = .FALSE.\n\n!***external functions: none\n\n OPTICS_UNIT = GETEFILE( OPTICS_FILE, .TRUE., .TRUE., PNAME )\n\n\n READ( OPTICS_UNIT,'(A)' ) FILE_LINE\n\n#ifdef verbose_phot\n write( LOGDEV, '(A)' )TRIM(FILE_LINE)\n#endif\n\n READ( FILE_LINE, 4999) NWL_REF\n#ifdef verbose_phot\n write( LOGDEV,'(17x,i3)' ) nwl_ref\n#endif\n\n NWL_OPTICS = NWL_REF\n\n DO ITT_LOAD = 1, 15 ! skip next 15 lines\n READ( OPTICS_UNIT,'(A)' ) FILE_LINE\n#ifdef verbose_phot\n write( LOGDEV, '(A)' )TRIM(FILE_LINE)\n#endif\n END DO\n\n ALLOCATE( CLD_BETA_REF ( NWL_REF ), CLOUD_BETA_LWC( NWL_REF ) )\n ALLOCATE( CLD_COALBEDO_REF( NWL_REF ), CLOUD_COALBEDO( NWL_REF ) )\n ALLOCATE( CLD_G_REF ( NWL_REF ), CLOUD_G ( NWL_REF ) )\n\n IF( .NOT. ALLOCATED( STWL_REF ) ) ALLOCATE( STWL_REF ( NWL_REF ) )\n IF( .NOT. ALLOCATED( ENDWL_REF ) ) ALLOCATE( ENDWL_REF ( NWL_REF ) )\n IF( .NOT. ALLOCATED( FSOLAR_REF ) ) ALLOCATE( FSOLAR_REF( NWL_REF ) )\n IF( .NOT. ALLOCATED( EFFWL_REF ) ) ALLOCATE( EFFWL_REF ( NWL_REF ) )\n IF( .NOT. ALLOCATED( FEXT ) ) ALLOCATE( FEXT ( NWL_REF ) )\n IF( .NOT. ALLOCATED( WAVELENGTH ) ) ALLOCATE( WAVELENGTH( NWL_REF ) )\n\n DO IWL_LOAD = 1, NWL_REF\n READ( OPTICS_UNIT, * )IPHOT_LOAD,\n & STWL_REF( IWL_LOAD ), EFFWL_REF( IWL_LOAD ), ENDWL_REF( IWL_LOAD ),\n & CLD_BETA_REF( IWL_LOAD ), CLD_G_REF( IWL_LOAD ), CLD_COALBEDO_REF( IWL_LOAD )\n\n\n#ifdef verbose_phot\n write( LOGDEV, 99946 )\n & stwl_ref( iwl_load ), effwl_ref( iwl_load ), endwl_ref( iwl_load ),\n & cld_beta_ref( iwl_load ), cld_g_ref( iwl_load ), cld_coalbedo_ref( iwl_load )\n#endif\n\n WAVELENGTH( IWL_LOAD ) = EFFWL_REF ( IWL_LOAD )\n FEXT ( IWL_LOAD ) = FSOLAR_REF( IWL_LOAD )\n\n CLOUD_BETA_LWC( IWL_LOAD ) = CLD_BETA_REF ( IWL_LOAD )\n CLOUD_COALBEDO( IWL_LOAD ) = CLD_COALBEDO_REF( IWL_LOAD )\n CLOUD_G ( IWL_LOAD ) = CLD_G_REF ( IWL_LOAD )\n\n END DO\n\n DO ITT_LOAD = 1, 7 ! skip next 7 lines\n READ( OPTICS_UNIT,'(A)' ) FILE_LINE\n#ifdef verbose_phot\n write( LOGDEV, '(A)' )TRIM(FILE_LINE)\n#endif\n END DO\n\n READ( OPTICS_UNIT,'(A)' ) FILE_LINE\n#ifdef verbose_phot\n write( LOGDEV, '(A)' )TRIM(FILE_LINE)\n#endif\n\n READ( FILE_LINE, 4999)NAE_REFRACT_REF\n\n#ifdef verbose_phot\n write( LOGDEV, * )' NAE_REFRACT_REF = ', NAE_REFRACT_REF\n#endif\n\n NUM_REFRACTIVE = NAE_REFRACT_REF\n \n ALLOCATE( AE_RERACT_REF ( NAE_REFRACT_REF ) )\n\n READ( OPTICS_UNIT,'(A)' ) FILE_LINE\n\n#ifdef verbose_phot\n write( LOGDEV, '(a)')TRIM(FILE_LINE)\n#endif\n\n STRT = SCAN(FILE_LINE, '=', BACK = .TRUE.) + 1\n FINI = LEN(FILE_LINE)\n\n READ( FILE_LINE( STRT:FINI ), * )( AE_RERACT_REF( ITT_LOAD ),\n & ITT_LOAD = 1, NAE_REFRACT_REF )\n\n#ifdef verbose_phot\n write( LOGDEV, 99947)'REFRACTIVE_INDICES'\n write( LOGDEV, 99948 )(AE_RERACT_REF( ITT_LOAD ),ITT_LOAD = 1, \n & NAE_REFRACT_REF )\n#endif\n\n\n ALLOCATE( AE_REAL_REFRACT ( NAE_REFRACT_REF, NWL_REF ) )\n ALLOCATE( AE_IMAG_REFRACT ( NAE_REFRACT_REF, NWL_REF ) )\n ALLOCATE( REFRACTIVE_INDEX( NAE_REFRACT_REF ) )\n\n DO ITT_LOAD = 1, NAE_REFRACT_REF\n! set up refractive indices used by aero_photdata routine\n\n REFRACTIVE_INDEX( ITT_LOAD )%NAME = AE_RERACT_REF( ITT_LOAD )\n ALLOCATE( REFRACTIVE_INDEX( ITT_LOAD )%REAL_PART( N_MODE, NWL_REF ) )\n ALLOCATE( REFRACTIVE_INDEX( ITT_LOAD )%IMAG_PART( N_MODE, NWL_REF ) )\n\n#ifdef verbose_phot\n write( LOGDEV, '(i3, 1x, a16)')itt_load, refractive_index( itt_load )%name\n#endif\n\n END DO\n\n READ( OPTICS_UNIT,'(A)' ) FILE_LINE\n#ifdef verbose_phot\n write( LOGDEV, '(A)' )TRIM(FILE_LINE)\n#endif\n\n DO IWL_LOAD = 1, NWL_REF\n READ( OPTICS_UNIT, * )iphot_load,\n & STWL_REF( IWL_LOAD ), EFFWL_REF( IWL_LOAD ), ENDWL_REF( IWL_LOAD ),\n & (AE_REAL_REFRACT( ITT_LOAD, IWL_LOAD ), AE_IMAG_REFRACT( ITT_LOAD, IWL_LOAD ),\n & ITT_LOAD = 1, NAE_REFRACT_REF)\n\n DO ITT_LOAD = 1, NAE_REFRACT_REF\n REFRACTIVE_INDEX( ITT_LOAD )%REAL_PART( 1:N_MODE, IWL_LOAD )\n & = AE_REAL_REFRACT( ITT_LOAD, IWL_LOAD )\n REFRACTIVE_INDEX( ITT_LOAD )%IMAG_PART( 1:N_MODE, IWL_LOAD )\n & = AE_IMAG_REFRACT( ITT_LOAD, IWL_LOAD )\n END DO\n#ifdef verbose_phot\n write( LOGDEV, 99949 )\n & stwl_ref( iwl_load ), effwl_ref( iwl_load ),\n & endwl_ref( iwl_load ),fsolar_ref( iwl_load ),\n & ( ae_real_refract( itt_load, iwl_load ),\n & ae_imag_refract( itt_load, iwl_load ), itt_load = 1, nae_refract_ref )\n#endif\n\n END DO\n\n DO ITT_LOAD = 1, 8 ! skip next 8 lines\n READ( OPTICS_UNIT,'(A)' ) FILE_LINE\n#ifdef verbose_phot\n write( LOGDEV, '(a)' )TRIM(FILE_LINE)\n#endif\n END DO\n\n! read optical data for liquid droplets\n\n READ( FILE_LINE, 4999)NRADIUS_LIQUID\n\n#ifdef verbose_phot\n write( LOGDEV, '(a,i4)' )'NRADIUS_LIQUID = ',NRADIUS_LIQUID\n#endif\n\n ALLOCATE(RADIUS_LIQUID( NRADIUS_LIQUID ))\n\n ALLOCATE( LIQUID_EXTINCT(NRADIUS_LIQUID, NWL_OPTICS),\n & LIQUID_ASYMFACT(NRADIUS_LIQUID, NWL_OPTICS),\n & LIQUID_COALBEDO(NRADIUS_LIQUID, NWL_OPTICS))\n\n QUANTITY = 'LIQ_EXT'\n\n READ( OPTICS_UNIT,'(A)' ) FILE_LINE\n#ifdef verbose_phot\n write( LOGDEV, '(a)' )TRIM(FILE_LINE)\n#endif\n\n DO ITT_LOAD = 1, NRADIUS_LIQUID\n READ( OPTICS_UNIT, * )\n & OPTICS_EXPECT, RADIUS_LIQUID( ITT_LOAD ),\n & ( LIQUID_EXTINCT( ITT_LOAD, IWL_LOAD), IWL_LOAD = 1, NWL_OPTICS )\n\n#ifdef verbose_phot\n write( LOGDEV, 99950 )\n & OPTICS_EXPECT, RADIUS_LIQUID( ITT_LOAD ),\n & ( LIQUID_EXTINCT( ITT_LOAD, IWL_LOAD), IWL_LOAD = 1, NWL_OPTICS )\n#endif\n IF ( OPTICS_EXPECT .NE. QUANTITY ) THEN\n MSG = 'Optical quantity read ' // TRIM( OPTICS_EXPECT )\n & // ' does match expected quantity, ' // TRIM( QUANTITY )\n CALL M3WARN( PNAME, 0, 0, MSG )\n ERROR_FLAG = .TRUE.\n END IF\n END DO\n\n\n QUANTITY = 'LIQ_ASY'\n\n READ( OPTICS_UNIT,'(A)' ) FILE_LINE\n#ifdef verbose_phot\n write( LOGDEV, '(a)' )TRIM(FILE_LINE)\n#endif\n DO ITT_LOAD = 1, NRADIUS_LIQUID\n READ( OPTICS_UNIT, * )\n & OPTICS_EXPECT, RADIUS_LIQUID( ITT_LOAD ),\n & ( LIQUID_ASYMFACT( ITT_LOAD, IWL_LOAD), IWL_LOAD = 1, NWL_OPTICS )\n\n#ifdef verbose_phot\n write( LOGDEV, 99950 )\n & OPTICS_EXPECT, RADIUS_LIQUID( ITT_LOAD ),\n & ( LIQUID_ASYMFACT( ITT_LOAD, IWL_LOAD), IWL_LOAD = 1, NWL_OPTICS )\n#endif\n IF ( OPTICS_EXPECT .NE. QUANTITY ) THEN\n MSG = 'Optical quantity read ' // TRIM( OPTICS_EXPECT )\n & // ' does match expected quantity, ' // TRIM( QUANTITY )\n CALL M3WARN( PNAME, 0, 0, MSG )\n ERROR_FLAG = .TRUE.\n END IF\n END DO\n\n READ( OPTICS_UNIT,'(A)' ) FILE_LINE\n#ifdef verbose_phot\n write( LOGDEV, '(a)' )TRIM(FILE_LINE)\n#endif\n\n QUANTITY = 'LIQ_COA'\n\n DO ITT_LOAD = 1, NRADIUS_LIQUID\n READ( OPTICS_UNIT, * )\n & OPTICS_EXPECT, RADIUS_LIQUID( ITT_LOAD ),\n & ( LIQUID_COALBEDO( ITT_LOAD, IWL_LOAD), IWL_LOAD = 1, NWL_OPTICS )\n\n#ifdef verbose_phot\n write( LOGDEV, 99950 )\n & OPTICS_EXPECT, RADIUS_LIQUID( ITT_LOAD ),\n & ( LIQUID_COALBEDO( ITT_LOAD, IWL_LOAD), IWL_LOAD = 1, NWL_OPTICS )\n#endif\n IF ( OPTICS_EXPECT .NE. QUANTITY ) THEN\n MSG = 'Optical quantity read ' // TRIM( OPTICS_EXPECT )\n & // ' does match expected quantity, ' // TRIM( QUANTITY )\n CALL M3WARN( PNAME, 0, 0, MSG )\n ERROR_FLAG = .TRUE.\n END IF\n END DO\n\n\n DO ITT_LOAD = 1, 7 ! skip next 7 lines\n READ( OPTICS_UNIT,'(A)' ) FILE_LINE\n#ifdef verbose_phot\n write( LOGDEV, '(a)' )TRIM(FILE_LINE)\n#endif\n END DO\n\n! read optical data for liquid droplets\n\n READ( FILE_LINE, 4999)NDIAMETER_ICE\n\n#ifdef verbose_phot\n write( LOGDEV, '(a,i4)' )'NDIAMETER_ICE = ',NDIAMETER_ICE\n#endif\n\n ALLOCATE(DIAMETER_ICE( NDIAMETER_ICE ))\n\n ALLOCATE( ICE_EXTINCT(NDIAMETER_ICE, NWL_OPTICS),\n & ICE_ASYMFACT(NDIAMETER_ICE, NWL_OPTICS),\n & ICE_COALBEDO(NDIAMETER_ICE, NWL_OPTICS),\n & ICE_DELTRANS(NDIAMETER_ICE, NWL_OPTICS))\n\n READ( OPTICS_UNIT,'(A)' ) FILE_LINE\n#ifdef verbose_phot\n write( LOGDEV, '(a)' )TRIM(FILE_LINE)\n#endif\n\n QUANTITY = 'ICE_EXT'\n\n DO ITT_LOAD = 1, NDIAMETER_ICE\n READ( OPTICS_UNIT, * )\n & OPTICS_EXPECT, DIAMETER_ICE( ITT_LOAD ),\n & ( ICE_EXTINCT( ITT_LOAD, IWL_LOAD), IWL_LOAD = 1, NWL_OPTICS )\n\n#ifdef verbose_phot\n write( LOGDEV, 99950 )\n & OPTICS_EXPECT, DIAMETER_ICE( ITT_LOAD ),\n & ( ICE_EXTINCT( ITT_LOAD, IWL_LOAD), IWL_LOAD = 1, NWL_OPTICS )\n#endif\n IF ( OPTICS_EXPECT .NE. QUANTITY ) THEN\n MSG = 'Optical quantity read ' // TRIM( OPTICS_EXPECT )\n & // ' does match expected quantity, ' // TRIM( QUANTITY )\n CALL M3WARN( PNAME, 0, 0, MSG )\n ERROR_FLAG = .TRUE.\n END IF\n END DO\n\n READ( OPTICS_UNIT,'(A)' ) FILE_LINE\n#ifdef verbose_phot\n write( LOGDEV, '(a)' )TRIM(FILE_LINE)\n#endif\n\n QUANTITY = 'ICE_ASY'\n\n DO ITT_LOAD = 1, NDIAMETER_ICE\n READ( OPTICS_UNIT, * )\n & OPTICS_EXPECT, DIAMETER_ICE( ITT_LOAD ),\n & ( ICE_ASYMFACT( ITT_LOAD, IWL_LOAD), IWL_LOAD = 1, NWL_OPTICS )\n\n#ifdef verbose_phot\n write( LOGDEV, 99950 )\n & OPTICS_EXPECT, DIAMETER_ICE( ITT_LOAD ),\n & ( ICE_ASYMFACT( ITT_LOAD, IWL_LOAD), IWL_LOAD = 1, NWL_OPTICS )\n#endif\n IF ( OPTICS_EXPECT .NE. QUANTITY ) THEN\n MSG = 'Optical quantity read ' // TRIM( OPTICS_EXPECT )\n & // ' does match expected quantity, ' // TRIM( QUANTITY )\n CALL M3WARN( PNAME, 0, 0, MSG )\n ERROR_FLAG = .TRUE.\n END IF\n END DO\n\n READ( OPTICS_UNIT,'(A)' ) FILE_LINE\n#ifdef verbose_phot\n write( LOGDEV, '(a)' )TRIM(FILE_LINE)\n#endif\n\n QUANTITY = 'ICE_COA'\n\n DO ITT_LOAD = 1, NDIAMETER_ICE\n READ( OPTICS_UNIT, * )\n & OPTICS_EXPECT, DIAMETER_ICE( ITT_LOAD ),\n & ( ICE_COALBEDO( ITT_LOAD, IWL_LOAD), IWL_LOAD = 1, NWL_OPTICS )\n\n#ifdef verbose_phot\n write( LOGDEV, 99950 )\n & OPTICS_EXPECT, DIAMETER_ICE( ITT_LOAD ),\n & ( ICE_COALBEDO( ITT_LOAD, IWL_LOAD), IWL_LOAD = 1, NWL_OPTICS )\n#endif\n IF ( OPTICS_EXPECT .NE. QUANTITY ) THEN\n MSG = 'Optical quantity read ' // TRIM( OPTICS_EXPECT )\n & // ' does match expected quantity, ' // TRIM( QUANTITY )\n CALL M3WARN( PNAME, 0, 0, MSG )\n ERROR_FLAG = .TRUE.\n END IF\n END DO\n\n READ( OPTICS_UNIT,'(A)' ) FILE_LINE\n#ifdef verbose_phot\n write( LOGDEV, '(a)' )TRIM(FILE_LINE)\n#endif\n\n QUANTITY = 'ICE_DEL'\n\n DO ITT_LOAD = 1, NDIAMETER_ICE\n READ( OPTICS_UNIT, * )\n & OPTICS_EXPECT, DIAMETER_ICE( ITT_LOAD ),\n & ( ICE_DELTRANS( ITT_LOAD, IWL_LOAD), IWL_LOAD = 1, NWL_OPTICS )\n\n#ifdef verbose_phot\n write( LOGDEV, 99950 )\n & OPTICS_EXPECT, DIAMETER_ICE( ITT_LOAD ),\n & ( ICE_DELTRANS( ITT_LOAD, IWL_LOAD), IWL_LOAD = 1, NWL_OPTICS )\n#endif\n IF ( OPTICS_EXPECT .NE. QUANTITY ) THEN\n MSG = 'Optical quantity read ' // TRIM( OPTICS_EXPECT )\n & // ' does match expected quantity, ' // TRIM( QUANTITY )\n CALL M3WARN( PNAME, 0, 0, MSG )\n ERROR_FLAG = .TRUE.\n END IF\n END DO\n\n! Determine limit and frequencies of liquid and ice inputs\n MAXI_RADIUS_LIQUID = MAXVAL( RADIUS_LIQUID )\n MINI_RADIUS_LIQUID = MINVAL( RADIUS_LIQUID )\n\n DELTA = (RADIUS_LIQUID( 2 ) - RADIUS_LIQUID( 1 ))\n\n IF( DELTA .LE. EPSILON )THEN\n WRITE( MSG, 99951)DELTA\n CALL M3WARN( PNAME, 0, 0, MSG )\n ERROR_FLAG = .TRUE.\n ELSE\n FREQ_RADIUS_LIQUID = 1.0 / DELTA\n INIT_RADIUS_LIQUID = MINI_RADIUS_LIQUID\n & - DELTA\n END IF\n\n MAXI_DIAMETER_ICE = MAXVAL( DIAMETER_ICE )\n MINI_DIAMETER_ICE = MINVAL( DIAMETER_ICE )\n\n DELTA = (DIAMETER_ICE( 2 ) - DIAMETER_ICE( 1 ))\n\n IF( DELTA .LE. EPSILON )THEN\n WRITE( MSG, 99952)DELTA\n CALL M3WARN( PNAME, 0, 0, MSG )\n ERROR_FLAG = .TRUE.\n ELSE\n FREQ_DIAMETER_ICE = 1.0 / DELTA\n INIT_DIAMETER_ICE = MINI_DIAMETER_ICE\n & - DELTA\n END IF\n\n! read data for calculating surface albedo\n\n DO ITT_LOAD = 1, 6 ! skip next 6 lines\n READ( OPTICS_UNIT,'(A)' ) FILE_LINE\n#ifdef verbose_phot\n write( LOGDEV, '(a)' )TRIM(FILE_LINE)\n#endif\n END DO\n\n READ( OPTICS_UNIT,5013 ) NUMB_LANDUSE_REF\n\n DO ITT_LOAD = 1, 3 ! skip next 3 lines\n READ( OPTICS_UNIT,'(A)' ) FILE_LINE\n#ifdef verbose_phot\n write( LOGDEV, '(a)' )TRIM(FILE_LINE)\n#endif\n END DO\n\n READ( OPTICS_UNIT,5013 ) INDEX_GRASSLAND_REF\n READ( OPTICS_UNIT,5013 ) INDEX_OCEAN_REF\n READ( OPTICS_UNIT,5013 ) INDEX_SEA_ICE\n\n#ifdef verbose_phot\n write( LOGDEV,6013 )'NUMB_LANDUSE_REF = ', numb_landuse_ref\n write( LOGDEV,6013 )'INDEX_GRASSLAND_REF = ', index_grassland_ref\n write( LOGDEV,6013 )'INDEX_OCEAN_REF = ', index_ocean_ref\n write( LOGDEV,6013 )'INDEX_SEA_ICE = ', index_sea_ice\n#endif\n\n ALLOCATE( LANDUSE_REF ( NUMB_LANDUSE_REF ) )\n ALLOCATE( ZENITH_COEFF_REF( NUMB_LANDUSE_REF ) )\n ALLOCATE( SEASON_COEFF_REF( NUMB_LANDUSE_REF ) )\n ALLOCATE( SNOW_COEFF_REF ( NUMB_LANDUSE_REF ) )\n ALLOCATE( SPECTRAL_ALBEDO_REF( NWL_OPTICS, NUMB_LANDUSE_REF ) )\n\n READ( OPTICS_UNIT,'(A)' ) FILE_LINE ! skip line\n#ifdef verbose_phot\n write( LOGDEV, '(a)' )TRIM(FILE_LINE)\n#endif\n\n DO ITT_LOAD = 1, NUMB_LANDUSE_REF\n READ( OPTICS_UNIT,5012 ) LANDUSE_REF( ITT_LOAD ),\n & ZENITH_COEFF_REF( ITT_LOAD ),\n & SEASON_COEFF_REF( ITT_LOAD ),\n & SNOW_COEFF_REF( ITT_LOAD )\n#ifdef verbose_phot\n write( LOGDEV,5012 ) landuse_ref( itt_load ),\n & zenith_coeff_ref( itt_load ),\n & season_coeff_ref( itt_load ),\n & snow_coeff_ref( itt_load )\n#endif\n END DO\n\n READ( OPTICS_UNIT,'(A)' ) FILE_LINE ! skip line\n#ifdef verbose_phot\n write( LOGDEV, '(a)' )TRIM(FILE_LINE)\n#endif\n\n DO ITT_LOAD = 1, NUMB_LANDUSE_REF\n READ( OPTICS_UNIT,'(A30,1X,40(1PE12.6,2X))' ) LAND_EXPECT,\n & ( SPECTRAL_ALBEDO_REF(IWL_LOAD, ITT_LOAD), IWL_LOAD = 1, NWL_REF )\n\n#ifdef verbose_phot\n write( LOGDEV,'(a30,1x,40(1pe13.6,2x))' ) trim( land_expect ),\n & ( spectral_albedo_ref(iwl_load, itt_load), iwl_load = 1, nwl_ref )\n#endif\n\n END DO\n\n DO ITT_LOAD = 1, 3 ! skip next 3 lines\n READ( OPTICS_UNIT,'(A)' ) FILE_LINE\n#ifdef verbose_phot\n write( LOGDEV, '(a)' )TRIM(FILE_LINE)\n#endif\n END DO\n\n READ( OPTICS_UNIT,5013 ) NUMB_LANDUSE_NLCD50\n READ( OPTICS_UNIT,'(A)' ) FILE_LINE ! skip line\n\n#ifdef verbose_phot\n write( LOGDEV,6013 ) 'NUMB_NLCD50_MODIS = ', numb_landuse_NLCD50\n write( LOGDEV, '(a)' )TRIM(FILE_LINE)\n#endif\n\n ALLOCATE( LANDUSE_NLCD50( NUMB_LANDUSE_NLCD50 ) )\n ALLOCATE( ALBMAP_REF2NLCD50( NUMB_LANDUSE_NLCD50 ) )\n ALLOCATE( ALBFAC_REF2NLCD50( NUMB_LANDUSE_NLCD50 ) )\n\n DO ITT_LOAD = 1, NUMB_LANDUSE_NLCD50\n READ( OPTICS_UNIT,5016 ) LANDUSE_NLCD50( ITT_LOAD ),\n & ALBMAP_REF2NLCD50( ITT_LOAD ),\n & ALBFAC_REF2NLCD50( ITT_LOAD )\n\n#ifdef verbose_phot\n write( LOGDEV,6016 ) itt_load, landuse_NLCD50( itt_load ),\n & albmap_ref2NLCD50( itt_load ),\n & albfac_ref2NLCD50( itt_load )\n#endif\n\n END DO\n\n READ( OPTICS_UNIT,5013 ) NUMB_LANDUSE_USGS\n READ( OPTICS_UNIT,'(A)' ) FILE_LINE ! skip line\n#ifdef verbose_phot\n write( LOGDEV,6013 ) 'NUMB_USGS = ', numb_landuse_usgs\n write( LOGDEV, '(a)' )TRIM(FILE_LINE)\n#endif\n\n ALLOCATE( LANDUSE_USGS ( NUMB_LANDUSE_USGS ) )\n ALLOCATE( ALBMAP_REF2USGS( NUMB_LANDUSE_USGS ) )\n ALLOCATE( ALBFAC_REF2USGS( NUMB_LANDUSE_USGS ) )\n\n DO ITT_LOAD = 1, NUMB_LANDUSE_USGS\n READ( OPTICS_UNIT,5016 ) LANDUSE_USGS( ITT_LOAD ),\n & ALBMAP_REF2USGS( ITT_LOAD ),\n & ALBFAC_REF2USGS( ITT_LOAD )\n\n#ifdef verbose_phot\n write( LOGDEV,6016 ) itt_load, landuse_usgs( itt_load ),\n & albmap_ref2usgs( itt_load ),\n & albfac_ref2usgs( itt_load )\n#endif\n\n END DO\n\n READ( OPTICS_UNIT,5013 ) NUMB_LANDUSE_MODIS\n READ( OPTICS_UNIT,'(A)' ) FILE_LINE ! skip line\n#ifdef verbose_phot\n write( LOGDEV,6013 ) 'NUMB_MODIS = ', numb_landuse_modis\n write( LOGDEV, '(a)' )TRIM(FILE_LINE)\n#endif\n\n ALLOCATE( LANDUSE_MODIS ( NUMB_LANDUSE_MODIS ) )\n ALLOCATE( ALBMAP_REF2MODIS( NUMB_LANDUSE_MODIS ) )\n ALLOCATE( ALBFAC_REF2MODIS( NUMB_LANDUSE_MODIS ) )\n\n DO ITT_LOAD = 1, NUMB_LANDUSE_MODIS\n READ( OPTICS_UNIT,5016 ) LANDUSE_MODIS( ITT_LOAD ),\n & ALBMAP_REF2MODIS( ITT_LOAD ),\n & ALBFAC_REF2MODIS( ITT_LOAD )\n\n#ifdef verbose_phot\n write( LOGDEV,6016 ) itt_load, landuse_modis( itt_load ),\n & albmap_ref2modis( itt_load ),\n & albfac_ref2modis( itt_load )\n#endif\n\n END DO\n\n NO_NLCD40 = .TRUE. ! default condition that file does not contain NLCD40 Landuse data\n\n READ( OPTICS_UNIT,5013, END = 101 ) NUMB_LANDUSE_NLCD40\n READ( OPTICS_UNIT,'(A)' ) FILE_LINE ! skip line\n#ifdef verbose_phot\n write( LOGDEV,6013 ) 'NUMB_NLCD40_MODIS = ', numb_landuse_NLCD40\n write( LOGDEV, '(a)' )TRIM(FILE_LINE)\n#endif\n\n ALLOCATE( LANDUSE_NLCD40( NUMB_LANDUSE_NLCD40 ) )\n ALLOCATE( ALBMAP_REF2NLCD40( NUMB_LANDUSE_NLCD40 ) )\n ALLOCATE( ALBFAC_REF2NLCD40( NUMB_LANDUSE_NLCD40 ) )\n\n DO ITT_LOAD = 1, NUMB_LANDUSE_NLCD40\n READ( OPTICS_UNIT,5016 ) LANDUSE_NLCD40( ITT_LOAD ),\n & ALBMAP_REF2NLCD40( ITT_LOAD ),\n & ALBFAC_REF2NLCD40( ITT_LOAD )\n\n#ifdef verbose_phot\n write( LOGDEV,6016 ) itt_load, landuse_NLCD40( itt_load ),\n & albmap_ref2NLCD40( itt_load ),\n & albfac_ref2NLCD40( itt_load )\n#endif\n\n END DO\n\n NO_NLCD40 = .FALSE.\n\n101 IF( NO_NLCD40 )THEN\n MSG = TRIM( PNAME ) // ':'\n & // TRIM( OPTICS_FILE )\n & // ' does not contain data for NLCD40 land use and'\n & // ' corresponds to CMAQ version 5.01.'\n CALL M3MESG( MSG )\n END IF\n\n! set the default values for surface albedo\n ALLOCATE( ALB( NWL_OPTICS ) )\n\n DO IWL_LOAD = 1, NWL_OPTICS\n IF ( WAVELENGTH( IWL_LOAD ) .LE. 380.1 ) THEN\n ALB( IWL_LOAD ) = 0.05\n ELSE\n ALB( IWL_LOAD ) = 0.10\n END IF\n END DO\n\n\n\n IF( ERROR_FLAG )THEN\n MSG = 'The above fatal error(s) found in CSQY data! '\n CALL M3EXIT( PNAME, 0, 0, MSG, -1 )\n END IF\n\n\n CLOSE(OPTICS_UNIT)\n\n4999 FORMAT(17X,I3,2X,17X,I3)\n5012 FORMAT( 4X,A30,1X,3(F8.3,2X) )\n5013 FORMAT( 22X,I3 )\n5016 FORMAT( 4X,A60,1X,I3,2X,3(F8.3,2X) )\n99946 FORMAT(4x,3(f8.3,2x),2x,2(es12.4,2x),f8.3,2x,12(es12.4,2x))\n99947 FORMAT(a3, 1x, a16)\n99948 FORMAT(10(a16,1x))\n99949 FORMAT(4x,3(f8.3,2x),2x,2(es12.4,2x),f8.3,2x,12(es12.4,2x))\n99950 FORMAT(a8,1x,f10.3,40(1x,1pe13.6))\n99951 FORMAT('Too Small Differences in Liquid Droplet Radii = ',1PE12.4,' um ')\n99952 FORMAT('Too Small Differences in Ice Particle Sizes = ',1PE12.4,' um ')\n#ifdef verbose_phot\n6009 format( a3,', ',8(a,', ') )\n6013 format( a22,1x,i3 )\n6016 format( i3,1x,a60,1x,i3,2x,3(f8.3,2x) )\n#endif\n\n RETURN\n END SUBROUTINE LOAD_OPTICS_DATA\n\nC///////////////////////////////////////////////////////////////////////\n INTEGER FUNCTION INDEXR ( NAME1, N, NAME2 )\nC-----------------------------------------------------------------------\nC\nC FUNCTION:\nC This routine searches for NAME1 in list NAME2\nC\nC REVISION HISTORY:\nC 5/88 Modified for ROMNET\nC July 29, 2005 by FSB\nC Changed name to avoid conflict FSB\nC copied from CMAQ routine INDEX2 to allow internal use\nC\nC ARGUMENT LIST DESCRIPTION:\nC\nC Input arguments:\nC NAME1 Character string being searched for\nC N Length of array to be searched\nC NAME2 Character array to be searched\nC\nC Output arguments:\nC INDEX1 The position within the NAME2 array that NAME1\nC found. If string was not found, INDEX1 = 0\nC\nC LOCAL VARIABLE DESCRIPTION:\nC None\nC\nC-----------------------------------------------------------------------\n\n IMPLICIT NONE\n\n INTEGER, INTENT(IN) :: N\n\n CHARACTER*(*), INTENT(IN) :: NAME1\n CHARACTER*(*), INTENT(IN) :: NAME2(*)\n\n INTEGER I\n\n!***Assume NAME1 is not in list NAME2\n\n INDEXR = 0\n\n DO I = 1, N\n IF ( INDEX( NAME2( I ), NAME1 ) .EQ. 1 ) THEN\n INDEXR = I\n RETURN\n END IF\n END DO\n\n RETURN\n END FUNCTION INDEXR\n SUBROUTINE GET_CSQY ( TEMP, DENS, CSZ, QYZ )\n!-----------------------------------------------------------------------\n! Purpose: Calculate values of absorption cross\n! section and quantum yield, given, temperature and air\n! pressure and density.\n!\n! reference for acetone:\n! Cameron-Smith, Philip J., Incorporating non_linear computation\n! code (Fast-J), Journal of Atmospheric Chemistry, Vol. 37,\n! pp 283-297, 2000)\n!\n! Mar 2011: Bill Hutzell\n! - revised interpolation method for a general number of\n! interpolation points\n! - revised density corrections for specific photolysis reactions\n! Apr 2014: Bill Hutzell\n! -revised method to determine what density corrections for a\n! specific photolysis reactions from name select to index selection\n! -revision agrument an variable names to use data available in CSQY_DATA\n! and GRID_CONF modules\n! Sept 2014: Bill Hutzell\n! -revised fortrans looping constructs attempting to improve computational\n! efficiency\n! -corrected several density or pressure adjustment for quantum yield based on\n! re-consulting source and cited references\n!-----------------------------------------------------------------------\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n\n IMPLICIT NONE\n\n!***Arguments\n\n\n REAL, INTENT(IN) :: TEMP( : ) ! air temperature [K]\n REAL, INTENT(IN) :: DENS( : ) ! air density [molecules/cm**3]\n REAL, INTENT(OUT) :: CSZ( :, :, : ) ! abs cross sections\n REAL, INTENT(OUT) :: QYZ( :, :, : ) ! quantum yields\n\n!***Internal:\n\n INTEGER :: IT, IWL, LAYS, IPHOT\n REAL :: XTEMP ! local temperature\n REAL :: YTEMP ! temperature difference ratio\n\n REAL, ALLOCATABLE, SAVE :: DELTA_REFT( :, : )\n INTEGER, ALLOCATABLE, SAVE :: ITEMP( :, : )\n\n REAL, PARAMETER :: TTX1 = 235.0\n REAL, PARAMETER :: TTX2 = 298.0\n REAL, PARAMETER :: DTTX = TTX2 - TTX1\n\n REAL :: PRESSURE ! units vary\n REAL :: FACTOR ! scratch variable for yield\n REAL :: ALPHA, BETA ! scratch variables\n REAL :: PHI_CO ! CO channel of acetone QYZ\n REAL :: PHI_CH3CO ! CH3CO channel of acetone QYZ\n\n LOGICAL, SAVE :: FIRSTCALL = .TRUE.\n\n IF ( FIRSTCALL ) THEN\n ALLOCATE( ITEMP( NLAYS, MECHANISM_RATES ) )\n ALLOCATE( DELTA_REFT( (IREFTEMPS - 1), MECHANISM_RATES ) )\n DO IT = 1, IREFTEMPS - 1\n DO IPHOT = 1, MECHANISM_RATES\n DELTA_REFT( IT, IPHOT ) = RTEMP_S( IT + 1, IPHOT ) - RTEMP_S( IT, IPHOT )\n END DO\n END DO\n CALL DEFINE_CSQY_ADJUST()\n FIRSTCALL = .FALSE.\n END IF\n\n!***determine and save where layer temperatures fall within range of CS and QY data\n DO IPHOT = 1, MECHANISM_RATES\n DO LAYS = 1, NLAYS\n IF ( TEMP( LAYS ) .LE. RTEMP_S( 1, IPHOT ) ) THEN\n ITEMP( LAYS, IPHOT ) = 0\n ELSE IF ( TEMP( LAYS ) .GE. RTEMP_S( IREFTEMPS, IPHOT ) ) THEN\n ITEMP( LAYS, IPHOT ) = IREFTEMPS\n ELSE\n LOOP_FINDT: DO IT = 1, IREFTEMPS - 1\n IF ( TEMP( LAYS ) .GT. RTEMP_S( IT, IPHOT ) .AND. TEMP( LAYS ) .LE. RTEMP_S( IT + 1, IPHOT ) ) THEN\n ITEMP( LAYS, IPHOT ) = IT\n EXIT LOOP_FINDT\n END IF\n END DO LOOP_FINDT\n END IF\n END DO\n END DO\n\n\n CSZ = 0.0\n QYZ = 1.0\n!***loop over rates for temperature corrections\n DO IPHOT = 1, MECHANISM_RATES\n!***loop over wavelengths\n DO IWL = 1, NWL_REF\n!***Loop over layers:\n DO LAYS = 1, NLAYS\n!***fetch temperature data\n XTEMP = TEMP( LAYS )\n IT = ITEMP( LAYS, IPHOT )\n\n IF ( IT .EQ. 0 ) THEN\n!***if the ambient temperature is cooler than the minimum\n!*** reference temperature, then use the value at the minimum reference temperature\n CSZ( LAYS, IWL, IPHOT ) = XXCS( IT+1, IWL, IPHOT )\n QYZ( LAYS, IWL, IPHOT ) = XXQY( IT+1, IWL, IPHOT )\n ELSE IF ( IT .GE. 1 .AND. IT .LT. IREFTEMPS ) THEN\n!***for the next case use linear interpolation\n YTEMP = ( XTEMP - RTEMP_S( IT, IPHOT ) )\n & / DELTA_REFT( IT, IPHOT )\n\n CSZ( LAYS, IWL, IPHOT ) = XXCS( IT, IWL, IPHOT )\n & + ( XXCS( IT+1, IWL, IPHOT )\n & - XXCS( IT, IWL, IPHOT ) )\n & * YTEMP\n QYZ( LAYS, IWL, IPHOT ) = XXQY( IT, IWL, IPHOT )\n & + ( XXQY( IT+1, IWL, IPHOT )\n & - XXQY( IT, IWL, IPHOT ) )\n & * YTEMP\n ELSE\n!***if the ambient temperature is warmer than the maximum\n!*** reference temperature, then use the value at the maximum reference temperature\n CSZ( LAYS, IWL, IPHOT ) = XXCS( IT, IWL, IPHOT )\n QYZ( LAYS, IWL, IPHOT ) = XXQY( IT, IWL, IPHOT )\n END IF\n END DO\n END DO\n END DO\n\n!***Make specific temperature and/or density corrections if needed\n!***Note specific acetone channels are treated outside these three nested loops\n DO IPHOT = 1, MECHANISM_RATES\n\n IF( CSQY_ADJUST( IPHOT ) .LT. 1 )CYCLE\n\n SELECT CASE ( CSQY_ADJUST( IPHOT ) )\n CASE ( ACETALDEHYDE ) ! 'CH3CHO -> CH3 + HCO'\n FORALL( IWL = 1:NWL_REF )\n FORALL( LAYS = 1:NLAYS, QYZ( LAYS, IWL, IPHOT ) .GT. 1.0E-5 )\n QYZ( LAYS, IWL, IPHOT ) = 1.0\n & / ( 1.0 + ( 1.0 / QYZ( LAYS, IWL, IPHOT ) - 1.0 ) * DENS( LAYS ) * 4.0568E-20 )\n QYZ( LAYS, IWL, IPHOT ) = MAX( 0.0, MIN( 1.0, QYZ( LAYS, IWL, IPHOT ) ) )\n END FORALL\n END FORALL\n CASE( CH3CHO_IUPAC2013 ) ! IUPAC 2013 correction for acetaldehyde\n! density correction to quantum yield recommended in\n! http://iupac.pole-ether.fr/htdocs/datasheets/pdf/P2_CH3CHO+hv.pdf dated June 2013\n! and based on\n! Warneck, P. and Moortgat, G.K. (2012). Quantum yields and photodissociation coefficients of\n! acetaldehyde in the troposphere, Atmos. Environ., 62, 153-163.\n FORALL( IWL = 1:NWL_REF )\n FORALL( LAYS = 1:NLAYS, QYZ( LAYS, IWL, IPHOT ) .GT. 1.0E-5 )\n QYZ( LAYS, IWL, IPHOT ) = QYZ( LAYS, IWL, IPHOT )\n & * IPHIS_CH3CHO( IWL )\n & / ( IPHI0_CH3CHO( IWL ) + KCH3CHO( IWL ) * DENS( LAYS ) )\n QYZ( LAYS, IWL, IPHOT ) = MAX( 0.0, MIN( 1.0, QYZ( LAYS, IWL, IPHOT ) ) )\n END FORALL\n END FORALL\n! IF ( FIRSTCALL )THEN\n! DO LAYS = 1, NLAYS\n! WRITE(LOGDEV, 99951)'DENS, CH3CHO_IUPAC2013 QYZ factor = ', ' ',DENS( LAYS ),\n! & (IPHIS_CH3CHO( IWL )/( IPHI0_CH3CHO( IWL ) + KCH3CHO( IWL ) * DENS( LAYS ) ),IWL=1,NWL_REF)\n! END DO\n! END IF\n CASE ( HIGHER_ALDEHYDES ) ! C3 and some higher aldehydes\n!***density correction to quantum yield\n FORALL( IWL = 1:NWL_REF )\n FORALL( LAYS = 1:NLAYS, QYZ( LAYS, IWL, IPHOT ) .GT. 1.0E-5 )\n QYZ( LAYS, IWL, IPHOT ) = 1.0\n & / ( 1.0 + ( 1.0 / QYZ( LAYS, IWL, IPHOT ) - 1.0 ) * DENS( LAYS ) * 4.0568E-20 )\n QYZ( LAYS, IWL, IPHOT ) = MAX( 0.0, MIN( 1.0, QYZ( LAYS, IWL, IPHOT ) ) )\n END FORALL\n END FORALL\n CASE( NBUTYRALDEHYDE ) ! both photolysis channels for n-C3H7CHO\n! based on recommendation in\n! IUPAC Recommendation\n! http://iupac.pole-ether.fr/htdocs/datasheets/pdf/P11_nC3H7CHO+hv.pdf dated 2002\n FORALL( IWL = 1:NWL_REF )\n FORALL( LAYS = 1:NLAYS, QYZ( LAYS, IWL, IPHOT ) .GT. 1.0E-5 )\n QYZ( LAYS, IWL, IPHOT ) = QYZ( LAYS, IWL, IPHOT )\n & * ( 1.81 + 4.919E-3 * TEMP( LAYS ) )\n & / ( 1.81 + 2.000E-22 * DENS( LAYS ) * TEMP( LAYS ) )\n QYZ( LAYS, IWL, IPHOT ) = MAX( 0.0, MIN( 1.0, QYZ( LAYS, IWL, IPHOT ) ) )\n END FORALL\n END FORALL\n CASE ( METHYL_VINYL_KETONE )\n!***quantum yield from\n!*** Gierczak, T., J. B. Burkholder, R. K. Talukdar, A. Mellouki, S. B. Barone,\n!*** and A. R. Ravishankara, Atmospheric fate of methyl vinyl ketone and methacrolein,\n!*** J. Photochem. Photobiol A: Chemistry, 110 1-10, 1997.\n!*** depends on pressure and wavelength, set upper limit to 1.0\n!*** However, chamber evaluations for SAPRC07T require a pressure correction where\n!*** number density coefficient is five times higher.\n!***density correction to quantum yield\n!***remove wavelength dependence\n FORALL( LAYS = 1:NLAYS, IWL = 1:NWL_REF )\n QYZ( LAYS, IWL, IPHOT ) = QYZ( LAYS, IWL, IPHOT ) * 118.4\n & / ( 5.5 + 4.6E-19 * DENS( LAYS ) )\n QYZ( LAYS, IWL, IPHOT ) = MAX(0.0, MIN( QYZ( LAYS, IWL, IPHOT ), 1.0 ) )\n END FORALL\n CASE ( METHYL_ACROLEIN )\n!***quantum yield based on 2.76 times MVK from\n!*** Gierczak, T., J. B. Burkholder, R. K. Talukdar, A. Mellouki, S. B. Barone,\n!*** and A. R. Ravishankara, Atmospheric fate of methyl vinyl ketone and methacrolein,\n!*** J. Photochem. Photobiol A: Chemistry, 110 1-10, 1997.\n!*** depends on pressure and wavelength, set upper limit to 1.0\n!*** However, chamber evaluations for SAPRC07T require a pressure correction where\n!*** number density coefficient is five times higher.\n!***density correction to quantum yield\n!***remove wavelength dependence\n FORALL( LAYS = 1:NLAYS, IWL = 1:NWL_REF )\n QYZ( LAYS, IWL, IPHOT ) = QYZ( LAYS, IWL, IPHOT ) * 118.4\n & / ( 5.5 + 4.6E-19 * DENS( LAYS ) )\n QYZ( LAYS, IWL, IPHOT ) = MAX(0.0, MIN( QYZ( LAYS, IWL, IPHOT ), 1.0 ) )\n END FORALL\n CASE ( METHYL_ETHYL_KETONE )\n!***Quantum Yields from\n!*** Raber, W.H. (1992) PhD Thesis, Johannes Gutenberg-Universitaet, Mainz, Germany.\n!*** other channels assumed negligible (less than 10%).\n!*** Total quantum yield = 0.38 at 760 Torr.\n!*** Ttemperature/Density correction to quantum yield in\n!*** Stern-Volmer form : 1/phi = 0.96 + 2.22e-3*P(torr)\n!*** Using relative correction to quantum yields based on above formula\n FORALL( IWL = 1:NWL_REF )\n FORALL( LAYS = 1:NLAYS, QYZ( LAYS, IWL, IPHOT ) .GT. 0.0 )\n! skips SAPRC07T cases where qy is set to one and photolysis rate is scaled in mech.def\n!*** Carter adjusted to 0.175 based on chamber tests and sets the values in\n!*** mechanism definition file. The photolysis data submitted for SAPRC07T sets this\n!*** quantum yield to one.\n! IF( QYZ( LAYS, IWL, IPHOT ) .GE. 1.0 )THEN\n! CYCLE\n! END IF\n! PRESSURE = ( 1.03547E-19 * DENS( LAYS ) * TEMP( LAYS ) ) ! TORR\n! IF ( PRESSURE .LT. 18.02 ) THEN\n! QYZ( LAYS, IWL, IPHOT ) = 1.0\n! ELSE\n! QYZ( LAYS, IWL, IPHOT ) = 1.0 / ( 0.96 + 2.22E-3 * PRESSURE )\n! END IF\n QYZ( LAYS, IWL, IPHOT ) = QYZ( LAYS, IWL, IPHOT )\n & * ( 0.96 + 5.66639E-03 * TEMP( LAYS ) )\n & / ( 0.96 + 2.29874E-22 * DENS( LAYS ) * TEMP( LAYS ) )\n QYZ( LAYS, IWL, IPHOT ) = MAX( 0.0, MIN( 1.0, QYZ( LAYS, IWL, IPHOT ) ) )\n END FORALL\n END FORALL\n CASE ( BIACETYL )\n! Biacetyl quantum yield (CH3CO + CH3CO) = 0.158 for wavelength less than 460 nm\n! Pressure correction based on phi(z=infi) and ph(z=0) values based on\n! http://iupac.pole-ether.fr/htdocs/datasheets/pdf/P23_Biacetyl+hv.pdf dated 2011\n! by solving the below for kq\n! phi(z=infi)/ph(z=0) = (0.76/0.16) = 1.0 + kq*Temp(z=0)*Number_Density(z=0)\n! where Temp(z=0) = 298.15K and Number_Density(z=0) = 2.46E19 molecules/cm3\n FORALL( IWL = 1:NWL_REF )\n FORALL( LAYS = 1:NLAYS, QYZ( LAYS, IWL, IPHOT ) .GT. 0.0 )\n QYZ( LAYS, IWL, IPHOT ) = QYZ( LAYS, IWL, IPHOT )\n & * ( 1.0 + 1.37662E-02 * TEMP( LAYS ) )\n & / ( 1.0 + 5.19481E-22 * DENS( LAYS ) * TEMP( LAYS ) )\n QYZ( LAYS, IWL, IPHOT ) = MAX( 0.0, MIN( 1.0, QYZ( LAYS, IWL, IPHOT ) ) )\n END FORALL\n END FORALL\n CASE ( METHYL_GLYOXAL_IUPAC04 )\n DO IWL = 1, NWL_REF\n IF( WAVELENGTH( IWL ) .GE. 500.0 .OR. WAVELENGTH( IWL ) .LE. 240.0 )CYCLE\n DO LAYS = 1, NLAYS\n IF( QYZ( LAYS, IWL, IPHOT ) .LE. 0.0 )CYCLE\n! Replaced the following method used in CMAQ 5.01\n!*** Pressure dependence based on Koch and Moortgat (1998),\n!*** J. Phys. Chem. A, vol 102, pages 9142. The application contradicts\n!*** NASA (2006) & IUPAC (2005) and is used based recommendations for\n!*** SAPRC07T photolysis rates by William Carter (2009)\n! PRESSURE = MIN( 472.0, 1.03547E-19 * DENS( LAYS ) * TEMP( LAYS ) ) ! in TORRs\n!***remove wavelength dependence\n! QYZ( LAYS, IWL, IPHOT ) = 6.4192E10 ! 1.36E8 * ( 472.0 )\n! & / ( 1.0 / QYZ( LAYS, IWL, IPHOT ) - 1.0 )\n! QYZ( LAYS, IWL, IPHOT ) = QYZ( LAYS, IWL, IPHOT )\n! & / ( QYZ( LAYS, IWL, IPHOT ) + 1.36E8 * PRESSURE )\n! by using the relative correction recommended in NASA JPL (2011). Note that linearily interpolated\n! values are assumed to be at air number density equal to 2.465E19 molecules/cm3. Pressure units are Torrs.\n! New correction is based on recommendation in\n! http://iupac.pole-ether.fr/htdocs/datasheets/pdf/P6_CH3COCHO+hv.pdf dated 2003\n! but places lower limit on pressure of 4 Torrs based on source of recommendation:\n! Y. Chen, W. Wang and L. Zhu, J. Phys. Chem. A, 104 11126 (2000).\n PRESSURE = 1.03547E-19 * TEMP( LAYS ) * DENS( LAYS )\n FACTOR = 2.5524 * TEMP( LAYS ) ! pressure for dens at 2.465e19 molec/cm3\n IF( WAVELENGTH( IWL ) .LE. 370.0 )THEN\n PRESSURE = MAX( 400.0, PRESSURE )\n FACTOR = MAX( 400.0, FACTOR )\n END IF\n QYZ( LAYS, IWL, IPHOT ) = QYZ( LAYS, IWL, IPHOT )\n & * ( IPHI0_MGLY( IWL ) + KMGLY( IWL ) * FACTOR )\n & / ( IPHI0_MGLY( IWL ) + KMGLY( IWL ) * PRESSURE )\n QYZ( LAYS, IWL, IPHOT ) = MAX( 0.0, MIN( 1.0, QYZ( LAYS, IWL, IPHOT ) ) )\n END DO\n END DO\n CASE ( ACROLEIN )\n!***density correction quantum yield\n DO IWL = 1, NWL_REF\n DO LAYS = 1, NLAYS\n!***Number density dependence based on Gardner et. al (1987),\n!*** J. Phys. Chem., vol 91, pages 1922. The application uses\n!*** the quantum yields set in in cross-section file.\n!*** For SAPRC07T CSQY data, yields set approximately four times NASA (2006)\n!*** because the mechanism developer sums over all possible channels and\n!*** Gardner et. al may support this conclusion.\n IF ( DENS( LAYS ) .GE. 8.0E+17 ) THEN\n QYZ( LAYS, IWL, IPHOT ) = 153.5 * QYZ( LAYS, IWL, IPHOT )\n & * ( 4.0E-3 + 1.0 / ( 8.6E-2 + 1.613E-17 * DENS( LAYS ) ) )\n ELSE IF ( DENS( LAYS ) .LT. 8.0E+17 ) THEN\n QYZ( LAYS, IWL, IPHOT ) = 12.431 * QYZ( LAYS, IWL, IPHOT )\n END IF\n\n QYZ( LAYS, IWL, IPHOT ) = MAX( 0.0, MIN( 1.0, QYZ( LAYS, IWL, IPHOT ) ) )\n END DO\n END DO\n CASE ( FORMALDEHYDE_MOLECULAR ) ! 'CH2O -> H2 + CO'\n!***temperature/density correction to quantum yield\n! based on\n! Sander, S. P., Friedl, R. R., Abbatt, J. P. D., Barker, J. R.,\n! Burkholder, J. B., Golden, D. M., Kolb, C. E., Kurylo, M. J.,\n! Moortgat, G. K., Wine, P. H., Huie, R. E., and Orkin, V. L.:\n! Chemical kinetics and photochemical data for use in atmospheric\n! studies. Evaluation number 17, JPL-Publication 10-6, Pasadena,\n! 2011.\n IF ( LHCHOR_06 .LE. 0 )CYCLE\n DO IWL = 1, NWL_REF\n IF ( WAVELENGTH( IWL ) .LE. 329.0 ) CYCLE\n DO LAYS = 1, NLAYS\n IF ( QYZ( LAYS, IWL, IPHOT ) .LE. 0.0 ) CYCLE\n\n IF( QYZ( LAYS, IWL, LHCHOR_06 ) .GT. 0.9999999 )THEN\n WRITE(6,*)\"QYZ( LAYS, IWL, LHCHOR_06 ) = \",QYZ( LAYS, IWL, LHCHOR_06 ) \n CALL M3EXIT( 'GET_CSQY', 0, 0, 'CHECK master log for information', -1 )\n END IF\n \n BETA = 1.0 / ( 1.0 - QYZ( LAYS, IWL, LHCHOR_06 ) )\n IF ( TEMP( LAYS ) .LT. 300.0 .AND. TEMP( LAYS ) .GT. 220.0 ) THEN\n PRESSURE = 1.36312E-22 * DENS( LAYS ) * TEMP( LAYS ) ! pressure units, atm\n ALPHA = ( 1.0 / QYZ( LAYS, IWL, IPHOT ) - BETA )\n & * ( 1.0 + 0.05 * ( WAVELENGTH( IWL ) - 329.0 )\n & * ( ( TEMP( LAYS ) - 80.0 ) * 0.0125 ) )\n ELSE IF ( TEMP( LAYS ) .LE. 220.0 ) THEN\n PRESSURE = 3.0E-20 * DENS( LAYS )\n ALPHA = ( 1.0 / QYZ( LAYS, IWL, IPHOT ) - BETA )\n & * ( 1.0 + 0.0875 * ( WAVELENGTH( IWL ) - 329.0 ) )\n ELSE IF ( TEMP( LAYS ) .GE. 300.0 ) THEN\n PRESSURE = 4.09E-20 * DENS( LAYS )\n ALPHA = ( 1.0 / QYZ( LAYS, IWL, IPHOT ) - BETA )\n & * ( 1.0 + 0.1375 * ( WAVELENGTH( IWL ) - 329.0 ) )\n END IF\n!***use relative change assuming that air density for interpolated value is 2.465e19 molecules/cm3\n QYZ( LAYS, IWL, IPHOT ) = QYZ( LAYS, IWL, IPHOT )\n & * ( BETA + 3.3601E-3 * TEMP( LAYS ) * ALPHA ) \n & / ( BETA + PRESSURE * ALPHA ) \n! IF ( FIRSTCALL )THEN \n! WRITE(LOGDEV, 99951)'TEMP, DENS, HCHO_M QYZ factor = ', ' ',TEMP( LAYS ), DENS( LAYS ),\n! & ( BETA + 3.3601E-3 * TEMP( LAYS ) * ALPHA )/( BETA + PRESSURE * ALPHA )\n! END IF\n\n QYZ( LAYS, IWL, IPHOT ) = MAX( 0.0, MIN( 1.0, QYZ( LAYS, IWL, IPHOT ) ) )\n END DO\n END DO\n CASE ( ACETONE ) ! 'CH3COCH3 -> products' total quantum yield\n!***temperature/density correction to quantum yield\n IF ( IPHOT .EQ. LACETONE ) THEN\n!***OPTT is the effective cross section ( Cs * QY )\n!***This is an implementation of eq(21) of Cameron-Smith (2000)\n!***special information for acetone. Reference:\n!*** Cameron-Smith, P., Incorporation of non-linear effective cross section\n!*** parameterization into a fast photolysis computation code (Fast-J)\n!*** Journal of Atmospheric Chemistry, Vol. 37, pp 283-297, 2000.\n FORALL( LAYS = 1:NLAYS, IWL = 1:NWL_REF )\n CSZ( LAYS, IWL, LACETONE ) = ( ( TTX2 - TEMP( LAYS ) ) * OP0( 1, IWL )\n & + ( TEMP( LAYS ) - TTX1 ) * OP0( 2, IWL ) )\n & / ( DTTX * ( 1.0 + YY30( IWL ) * DENS( LAYS ) ) )\n QYZ( LAYS, IWL, LACETONE ) = 1.0\n END FORALL\n ELSE ! approximate relative correction based on effective wavelengths\n DO IWL = 1, NWL_REF\n DO LAYS = 1, NLAYS\n QYZ( LAYS, IWL, IPHOT ) = RQUANTUM_ACETONE( TEMP( LAYS ), DENS( LAYS ), IWL )\n & * QYZ( LAYS, IWL, IPHOT )\n QYZ( LAYS, IWL, IPHOT ) = MAX( 0.0, MIN( 1.0, QYZ( LAYS, IWL, IPHOT ) ) )\n END DO\n END DO\n END IF\n CASE ( ACETONE_CH3CO )\n DO IWL = 1, NWL_REF\n DO LAYS = 1, NLAYS\n QYZ( LAYS, IWL, IPHOT ) = RQY_ACETONE_CH3CO( TEMP( LAYS ), DENS( LAYS ), IWL )\n & * QYZ( LAYS, IWL, IPHOT )\n QYZ( LAYS, IWL, IPHOT ) = MAX( 0.0, MIN( 1.0, QYZ( LAYS, IWL, IPHOT ) ) )\n END DO\n END DO\n CASE( GLYOXAL_IUPAC_2013 )\n DO IWL = 1, NWL_REF\n DO LAYS = 1, NLAYS\n QYZ( LAYS, IWL, IPHOT ) = RQY_GLYOXAL( TEMP( LAYS ), DENS( LAYS ), IWL )\n & * QYZ( LAYS, IWL, IPHOT )\n QYZ( LAYS, IWL, IPHOT ) = MAX( 0.0, MIN( 1.0, QYZ( LAYS, IWL, IPHOT ) ) )\n END DO\n END DO\n CASE ( KETONE_LEGACY )\n FORALL( LAYS = 1:NLAYS, IWL = 1:NWL_REF )\n CSZ( LAYS, IWL, IPHOT ) = CSZ( LAYS, IWL, IPHOT ) / ( 1.0 + 0.80E-19 * DENS( LAYS ) )\n END FORALL\n CASE ( KETONE_RACM2 ) ! Ketone treatement from W. Stockwell sbox\n FORALL( IWL = 1:NWL_REF )\n FORALL( LAYS = 1:NLAYS, QYZ( LAYS, IWL, IPHOT ) .GT. 1.0E-5 .AND. QYZ( LAYS, IWL, IPHOT ) .LT. 0.9999 )\n QYZ( LAYS, IWL, IPHOT ) = 1.0\n & / (1.0 + 4.057E-20 * DENS( LAYS ) * ( 1.0 / QYZ(LAYS, IWL, IPHOT ) - 1.0 ))\n QYZ( LAYS, IWL, IPHOT ) = MAX( 0.0, MIN( 1.0, QYZ( LAYS, IWL, IPHOT ) ) )\n END FORALL\n END FORALL\n CASE ( GLYOXAL_RACM2 ) ! glyoxal treatement from W. Stockwell sbox\n FORALL( IWL = 1:NWL_REF )\n FORALL( LAYS = 1:NLAYS, QYZ( LAYS, IWL, IPHOT ) .GT. 1.0E-5 .AND. QYZ( LAYS, IWL, IPHOT ) .LT. 0.9999 )\n QYZ( LAYS, IWL, IPHOT ) = 1.0\n & / ( 1.0 + 4.057E-20 * DENS( LAYS ) * ( 1.0 / QYZ(LAYS, IWL, IPHOT ) - 1.0 ))\n QYZ( LAYS, IWL, IPHOT ) = MAX( 0.0, MIN( 1.0, QYZ( LAYS, IWL, IPHOT ) ) )\n END FORALL\n END FORALL\n CASE ( METHYL_GLYOXAL_LEGACY )\n FORALL( LAYS = 1:NLAYS, IWL = 1:NWL_REF )\n CSZ( LAYS, IWL, IPHOT ) = CSZ( LAYS, IWL, IPHOT ) / ( 1.0 + 1.67E-19 * DENS( LAYS ) )\n END FORALL\n END SELECT\n\n END DO ! loop on IPHOT\n\n\n! IF ( FIRSTCALL )THEN\n! DO IPHOT = 1, MECHANISM_RATES\n! DO LAYS = 1, NLAYS\n! WRITE(LOGDEV, 99951)'CSZ for ', PHOTOLYSIS_RATE( IPHOT ),(CSZ( LAYS, IWL, IPHOT ),IWL=1,NWL_REF)\n! WRITE(LOGDEV, 99951)'QYZ for ', PHOTOLYSIS_RATE( IPHOT ),(QYZ( LAYS, IWL, IPHOT ),IWL=1,NWL_REF)\n! END DO\n! END DO\n! FIRSTCALL = .FALSE.\n! END IF\n\n99951 FORMAT(A,A16,40(1X,ES12.4))\n RETURN\n END SUBROUTINE GET_CSQY\n SUBROUTINE DEFINE_CSQY_ADJUST()\n! Purpose determine whether a photolysis rate uses specific corrections to\n! CSQY data\n! Apr 2014 B.Hutzell Initial version\n! Sept 2014 B.Hutzell corrected acetaldehyde case to include CCHO_R_SAPRC99,\n! the photolysis rate used in original CB05 mechanism\n\n IMPLICIT NONE\n\n INTEGER :: IPHOT, IWL\n\n REAL( 8 ) :: ILAMBDA\n\n ALLOCATE( CSQY_ADJUST( MECHANISM_RATES ) )\n\n DO IPHOT = 1, MECHANISM_RATES\n SELECT CASE ( TRIM( PHOTOLYSIS_RATE( IPHOT ) ) )\n CASE ( 'CCHO_R', 'CCHO_R_SAPRC99', 'CH3CHO_RACM2', 'ALD2_R_IUPAC10',\n & 'ALD2_R_IUPAC13' ) ! 'CH3CHO -> CH3 + HCO'\n CSQY_ADJUST( IPHOT ) = ACETALDEHYDE\n CASE ( 'CCHO_R1_MCMv32', 'CCHO_R2_MCMv32' ) ! 'CH3CHO -> CH3 + HCO'\n CSQY_ADJUST( IPHOT ) = CH3CHO_IUPAC2013\n IF( .NOT. ALLOCATED( KCH3CHO ) ) ALLOCATE( KCH3CHO( NWL_REF ) )\n IF( .NOT. ALLOCATED( IPHI0_CH3CHO ) ) ALLOCATE( IPHI0_CH3CHO( NWL_REF ) )\n IF( .NOT. ALLOCATED( IPHIS_CH3CHO ) ) ALLOCATE( IPHIS_CH3CHO( NWL_REF ) )\n DO IWL = 1, NWL_REF\n IF( WAVELENGTH( IWL ) .LE. 608.0 )THEN\n ILAMBDA = REAL( 1.0D0 / WAVELENGTH( IWL ), 8 )\n KCH3CHO( IWL ) = REAL( 1.0D-21\n & * (1.04D27*EXP(-1.792D4*ILAMBDA) + 1.48D6*EXP(-3.211D3*ILAMBDA)))\n IPHI0_CH3CHO( IWL ) = 1.0 + EXP( 0.2627801*( WAVELENGTH( IWL ) - 320.56 ) )\n IPHIS_CH3CHO( IWL ) = IPHI0_CH3CHO( IWL ) + 2.465E19 * KCH3CHO( IWL )\n ELSE ! use values for wavelength equals 608 nm\n KCH3CHO( IWL ) = 1.64731E-07\n IPHI0_CH3CHO( IWL ) = 5.50947E+32\n IPHIS_CH3CHO( IWL ) = 5.50946E+32\n END IF \n! WRITE(LOGDEV, 99951)'DENS, CH3CHO_IUPAC2013 QYZ factor = ', ' ',2.465E19,\n! & IPHIS_CH3CHO( IWL ),IPHI0_CH3CHO( IWL ),KCH3CHO( IWL )\n END DO\n CASE ( 'NC3CHO_R_MCMv32', 'NC3CHO_M_MCMv32' ) ! n-C3H7CHO (n-butyraldehyde, n-butanal)\n CSQY_ADJUST( IPHOT ) = NBUTYRALDEHYDE\n CASE ( 'C2CHO', 'ALD_RACM2', 'BALD_RACM2', 'UALD_RACM2', 'ALDX_R_IUPAC10', 'ALDX_R_IUPAC13' ) ! C3 and higher aldehydes\n CSQY_ADJUST( IPHOT ) = HIGHER_ALDEHYDES\n CASE ( 'MVK_06' )\n CSQY_ADJUST( IPHOT ) = METHYL_VINYL_KETONE\n CASE ( 'MACR_06', 'MACR_RACM2', 'MACR_MCMv32' )\n CSQY_ADJUST( IPHOT ) = METHYL_ACROLEIN\n CASE ( 'MEK_06', 'MEK_MCMv32' )\n CSQY_ADJUST( IPHOT ) = METHYL_ETHYL_KETONE\n CASE ( 'MGLY_06' , 'BACL_07', 'MGLY_IUPAC04', 'MGLY_IUPAC10' )\n CSQY_ADJUST( IPHOT ) = METHYL_GLYOXAL_IUPAC04\n IF( .NOT. ALLOCATED( KMGLY ) ) ALLOCATE( KMGLY( NWL_REF ) )\n IF( .NOT. ALLOCATED( IPHI0_MGLY ) ) ALLOCATE( IPHI0_MGLY( NWL_REF ) )\n WHERE( WAVELENGTH .LT. 380.41 )\n IPHI0_MGLY = 1.0\n KMGLY = 7.08021E-03\n ELSE WHERE ! maximum value correspond to wavelength = 711.8954 nm\n IPHI0_MGLY = MAX( 2.755E+06 * EXP( -5639.0 / WAVELENGTH ), 1.0E+03 )\n KMGLY = MAX( 1.93E+04 * EXP( -5639.0 / WAVELENGTH ), 7.00590 )\n END WHERE\n CASE ( 'ACRO_09' )\n CSQY_ADJUST( IPHOT ) = ACROLEIN\n CASE ( 'BIACET_MCMv32' )\n CSQY_ADJUST( IPHOT ) = BIACETYL\n CASE ( 'HCHO_M_MCMv32', 'HCHOM_06', 'HCHO_M_SAPRC99', 'HCHO_MOL_RACM2', 'FORM_M_IUPAC10',\n & 'FORM_M_IUPAC13', 'HCHO_MOL_JPL19' ) ! 'CH2O -> H2 + CO'\n CSQY_ADJUST( IPHOT ) = FORMALDEHYDE_MOLECULAR\n CASE ( 'ACET_06', 'ACETONE', 'CH3COCH3_RACM2', 'ACET_IUPAC10' ) ! 'CH3COCH3 -> products'\n CSQY_ADJUST( IPHOT ) = ACETONE\n CASE ( 'KETONE' )\n CSQY_ADJUST( IPHOT ) = KETONE_LEGACY\n CASE ( 'KET_RACM2', 'KET_JGR19', 'HKET_RACM2', 'MEK_RACM2', 'MEK_JGR19', 'MVK_RACM2' ) ! Ketone treatement from W. Stockwell sbox\n CSQY_ADJUST( IPHOT ) = KETONE_RACM2\n CASE ( 'GLYH2_RACM2', 'GLYF_RACM2', 'GLYHX_RACM2', 'MGLY_RACM2' ) ! glyoxal treatement from W. Stockwell sbox\n CSQY_ADJUST( IPHOT ) = GLYOXAL_RACM2\n CASE ( 'GLYOX_R_CRI', 'GLYOX_M_CRI', 'GLY_R_IUPAC10', 'GLY_R_IUPAC13' ) ! glyoxal treatement based on IUPAC 2013 datasheet\n CSQY_ADJUST( IPHOT ) = GLYOXAL_IUPAC_2013\n CASE ( 'MGLY_ADJ', 'MGLY_ABS' )\n CSQY_ADJUST( IPHOT ) = METHYL_GLYOXAL_LEGACY\n CASE ( 'ACET_R2_CRI', 'CH3COCH3A_JPL19' )\n CSQY_ADJUST( IPHOT ) = ACETONE_CH3CO\n CASE DEFAULT\n CSQY_ADJUST( IPHOT ) = 0\n END SELECT\n! WRITE(LOGDEV,'(A)')'For rate ' // TRIM( PHOTOLYSIS_RATE( IPHOT ) ) \n! & // ' using CSQY_ADJUSTMENT ' // TRIM( CSQY_ADJUSTMENTS( CSQY_ADJUST( IPHOT ) ) )\n END DO\n RETURN\n99951 FORMAT(A9,A16,40(1X,ES12.4))\n END SUBROUTINE DEFINE_CSQY_ADJUST\n REAL FUNCTION QUANTUM_ACETONE( TEMP, DENS_NUMB, LAMBDA )\n\nC-----------------------------------------------------------------------\nC Computes acetone quantum yields according to:\nC IUPAC (2013) recommendation based on\nC Blitz, M. A., D. E. Heard, M. J. Pilling, S. R. Arnold, and M. P. Chipperfield\nC (2004), Pressure and temperature-dependent quantum yields for the\nC photodissociation of acetone between 279 and 327.5 nm, Geophys.\nC Res. Lett., 31, L06111, doi:10.1029/2003GL018793.\nC-----------------------------------------------------------------------\n\n IMPLICIT NONE\n\n!***arguments\n\n REAL, INTENT(IN) :: TEMP ! air temperature, K\n REAL, INTENT(IN) :: DENS_NUMB ! air number density, 1/cm^3\n REAL, INTENT(IN) :: LAMBDA ! wavelength, nm\n\n!***local\n REAL, PARAMETER :: ONE_OVER_295K = 1.0 / 295 ! 1/K\n\n REAL A0 ! 1st coef for qy\n REAL A1 ! 2nd coef for qy\n REAL A2 ! 3rd coef for qy\n REAL A3 ! 4th coef for qy\n REAL A4 ! 5th coef for qy\n\n REAL PHI_CO ! CO branch of IUPAC (2013) acetone QYZ\n REAL PHI_CH3CO ! CH3CO branch of IUPAC (2013) acetone QYZ\n REAL AA ! scratch variable for IUPAC (2013) acetone QYZ\n REAL BB ! scratch variable for IUPAC (2013) acetone QYZ\n REAL CC ! scratch variable for IUPAC (2013) acetone QYZ\n\n REAL TEMP_OVER_295K ! temperature divided by 295 K\n REAL ONE_OVER_LAMBDA ! reciprocal of wavelength, 1E7/nm or 1/cm\n\n TEMP_OVER_295K = TEMP * ONE_OVER_295K\n ONE_OVER_LAMBDA = 1.0E7 / LAMBDA\n\n IF ( LAMBDA .GE. 248.0 .AND. LAMBDA .LE. 349.0 ) THEN\n\n AA = 0.350 * ( TEMP_OVER_295K )**(-1.28)\n BB = 0.068 * ( TEMP_OVER_295K )**(-2.65)\n A0 = ( AA / ( 1.0 - AA ) ) * EXP( BB * ( LAMBDA - 248.0 ) )\n PHI_CO = 1.0 / ( 1.0 + A0 )\n\n IF ( LAMBDA .LE. 302.0 ) THEN\n\n!***wavelengths 248-302 nm\n\n AA = 1.600E-19 * ( TEMP_OVER_295K )**(-2.38)\n BB = 0.55E-03 * ( TEMP_OVER_295K )**(-3.19)\n A1 = AA * EXP( -BB * ( ( ONE_OVER_LAMBDA ) - 33113.0 ) )\n PHI_CH3CO = ( 1.0 - PHI_CO ) / ( 1.0 + A1*DENS_NUMB )\n\n!***wavelengths 302-349 nm\n\n ELSE\n\n AA = 1.62E-17 * ( TEMP_OVER_295K )**(-10.03)\n BB = 1.79E-03 * ( TEMP_OVER_295K )**(-1.364)\n A2 = AA * EXP( -BB * ( ( ONE_OVER_LAMBDA ) - 30488.0 ) )\n\n AA = 26.29 * ( TEMP_OVER_295K )**(-6.59)\n BB = 5.72E-7 * ( TEMP_OVER_295K )**(-2.93)\n CC = ( 30006.0 ) * ( TEMP_OVER_295K )**(-0.064)\n A3 = AA * EXP( -BB * ( ( ONE_OVER_LAMBDA ) - CC )**2.0 )\n\n AA = 1.67E-15 * ( TEMP_OVER_295K )**(-7.25)\n BB = 2.08E-03 * ( TEMP_OVER_295K )**(-1.16)\n A4 = AA * EXP( -BB * ( ( ONE_OVER_LAMBDA ) - 30488.0 ) )\n\n PHI_CH3CO = ( 1.0 - PHI_CO )\n & * ( 1.0 + A4 * DENS_NUMB + A3 )\n & / ( ( 1.0 + A2 * DENS_NUMB + A3 )\n & * ( 1.0 + A4 * DENS_NUMB ) )\n END IF\n\n QUANTUM_ACETONE = MAX( 0.0, MIN( 1.0, (PHI_CO+PHI_CH3CO) ) )\n\n ELSE IF ( LAMBDA .LT. 248.0 .AND. LAMBDA .GT. 0.0 ) THEN ! set QY to 1.0\n\n!***based on IUPAC (2013) data sheet\n\n QUANTUM_ACETONE = 1.0\n\n ELSE IF ( LAMBDA .GT. 349.0 ) THEN\n\n QUANTUM_ACETONE = 0.0\n\n END IF\n\n\n RETURN\n END FUNCTION QUANTUM_ACETONE\n SUBROUTINE QY_ACETONE_CHANNELS( TEMP, DENS_NUMB, LAMBDA, PHI_CO, PHI_CH3CO )\n\nC-----------------------------------------------------------------------\nC Computes acetone quantum yields according to:\nC IUPAC (2013) recommendation based on\nC Blitz, M. A., D. E. Heard, M. J. Pilling, S. R. Arnold, and M. P. Chipperfield\nC (2004), Pressure and temperature-dependent quantum yields for the\nC photodissociation of acetone between 279 and 327.5 nm, Geophys.\nC Res. Lett., 31, L06111, doi:10.1029/2003GL018793.\nC-----------------------------------------------------------------------\n\n IMPLICIT NONE\n\n!***arguments\n\n REAL, INTENT(IN) :: TEMP ! air temperature, K\n REAL, INTENT(IN) :: DENS_NUMB ! air number density, 1/cm^3\n REAL, INTENT(IN) :: LAMBDA ! wavelength, nm\n REAL, INTENT(OUT) :: PHI_CO ! CO branch of IUPAC (2013) acetone QYZ\n REAL, INTENT(OUT) :: PHI_CH3CO ! CH3CO branch of IUPAC (2013) acetone QYZ\n\n!***local\n REAL, PARAMETER :: ONE_OVER_295K = 1.0 / 295.0 ! 1/K\n\n REAL A0 ! 1st coef for qy\n REAL A1 ! 2nd coef for qy\n REAL A2 ! 3rd coef for qy\n REAL A3 ! 4th coef for qy\n REAL A4 ! 5th coef for qy\n\n REAL AA ! scratch variable for IUPAC (2013) acetone QYZ\n REAL BB ! scratch variable for IUPAC (2013) acetone QYZ\n REAL CC ! scratch variable for IUPAC (2013) acetone QYZ\n\n REAL TEMP_OVER_295K ! temperature divided by 295 K\n REAL ONE_OVER_LAMBDA ! reciprocal of wavelength, 1E7/nm or 1/cm\n\n TEMP_OVER_295K = TEMP * ONE_OVER_295K\n ONE_OVER_LAMBDA = 1.0E7 / LAMBDA\n\n IF ( LAMBDA .GE. 248.0 .AND. LAMBDA .LE. 349.0 ) THEN\n\n AA = 0.350 * ( TEMP_OVER_295K )**(-1.28)\n BB = 0.068 * ( TEMP_OVER_295K )**(-2.65)\n A0 = ( AA / ( 1.0 - AA ) ) * EXP( BB * ( LAMBDA - 248.0 ) )\n PHI_CO = 1.0 / ( 1.0 + A0 )\n\n PHI_CO = MAX( 0.0, MIN( 1.0, PHI_CO ) )\n\n IF ( LAMBDA .LE. 302.0 ) THEN\n\n!***wavelengths 248-302 nm\n\n AA = 1.60E-19 * ( TEMP_OVER_295K )**(-2.38)\n BB = 0.55E-03 * ( TEMP_OVER_295K )**(-3.19)\n A1 = AA * EXP( -BB * ( ( ONE_OVER_LAMBDA ) - 33113.0 ) )\n PHI_CH3CO = ( 1.0 - PHI_CO ) / ( 1.0 + A1*DENS_NUMB )\n\n!***wavelengths 302-349 nm\n\n ELSE\n\n AA = 1.62E-17 * ( TEMP_OVER_295K )**(-10.03)\n BB = 1.79E-03 * ( TEMP_OVER_295K )**(-1.364)\n A2 = AA * EXP( -BB * ( ( ONE_OVER_LAMBDA ) - 30488.0 ) )\n\n AA = 26.29 * ( TEMP_OVER_295K )**(-6.59)\n BB = 5.72E-7 * ( TEMP_OVER_295K )**(-2.93)\n CC = 30006.0 * ( TEMP_OVER_295K )**(-0.064)\n A3 = AA * EXP( -BB * ( ( ONE_OVER_LAMBDA ) - CC )**2.0 )\n\n AA = 1.67E-15 * ( TEMP_OVER_295K )**(-7.25)\n BB = 2.08E-03 * ( TEMP_OVER_295K )**(-1.16)\n A4 = AA * EXP( -BB * ( ( ONE_OVER_LAMBDA ) - 30488.0 ) )\n\n PHI_CH3CO = ( 1.0 - PHI_CO )\n & * ( 1.0 + A4 * DENS_NUMB + A3 )\n & / ( ( 1.0 + A2 * DENS_NUMB + A3 )\n & * ( 1.0 + A4 * DENS_NUMB ) )\n END IF\n\n PHI_CH3CO = MAX( 0.0, MIN( 1.0, PHI_CH3CO ) )\n\n ELSE IF ( LAMBDA .LT. 248.0 .AND. LAMBDA .GT. 0.0 ) THEN ! set QY to 1.0\n\n!***based on IUPAC (2013) data sheet\n\n PHI_CO = 0.45\n PHI_CH3CO = 0.55\n\n ELSE IF ( LAMBDA .GT. 349.0 ) THEN\n\n PHI_CO = 0.0\n PHI_CH3CO = 0.0\n\n END IF\n\n RETURN\n END SUBROUTINE QY_ACETONE_CHANNELS\n#ifdef preprocessor\n REAL FUNCTION RQY_ACETONE_CH3CO( TEMP, DENS_NUMB, LAMBDA )\n#else\n REAL FUNCTION RQY_ACETONE_CH3CO( TEMP, DENS_NUMB, IWAVE )\n#endif\nC-----------------------------------------------------------------------\nC Computes correction to acetone CH3CO quantum yields at (TEMP, DENS_NUMB) relative to\nC quantum yields at (TEMP, DENS_NUMB = 2.46E19) according to:\nC IUPAC (2013) recommendation based on\nC Blitz, M. A., D. E. Heard, M. J. Pilling, S. R. Arnold, and M. P. Chipperfield\nC (2004), Pressure and temperature-dependent quantum yields for the\nC photodissociation of acetone between 279 and 327.5 nm, Geophys.\nC Res. Lett., 31, L06111, doi:10.1029/2003GL018793.\nC-----------------------------------------------------------------------\n\n IMPLICIT NONE\n\n!***arguments\n\n REAL, INTENT(IN) :: TEMP ! air temperature, K\n REAL, INTENT(IN) :: DENS_NUMB ! air number density, molcules/cm^3\n#ifdef preprocessor\n REAL, INTENT(IN) :: LAMBDA ! wavelength, nm\n#else\n INTEGER, INTENT(IN) :: IWAVE ! wavelength index\n#endif\n\n!***local\n REAL, PARAMETER :: ONE_OVER_295K = 1.0 / 295.0 ! 1/K\n REAL, PARAMETER :: DENS0 = 2.46E19 ! air number at STP, molecules/cm^3\n\n REAL A0 ! 1st coef for qy\n REAL A1 ! 2nd coef for qy\n REAL A2 ! 3rd coef for qy\n REAL A3 ! 4th coef for qy\n REAL A4 ! 5th coef for qy\n\n REAL PHI_CO ! CO qy at (TEMP, DENS_NUMB)\n REAL PHI_CH3CO ! CH3CO qy at (TEMP, DENS_NUMB)\n REAL PHI_COS ! CO qy branch at (TEMP, DENS0)\n REAL PHI_CH3COS ! inverse of CH3CO qy at (TEMP, DENS0)\n REAL AA ! scratch variable for acetone QY\n REAL BB ! scratch variable for acetone QY\n REAL CC ! scratch variable for acetone QY\n\n REAL TEMP_OVER_295K ! temperature divided by 295 K\n REAL ONE_OVER_LAMBDA ! wavenumber, 10E7/nm or 1/cm\n#ifndef preprocessor\n REAL LAMBDA ! wavelength, nm\n\n LAMBDA = WAVELENGTH( IWAVE )\n ONE_OVER_LAMBDA = WAVENUMBER( IWAVE )\n#else\n ONE_OVER_LAMBDA = 1.0E7 / LAMBDA\n#endif\n\n TEMP_OVER_295K = TEMP * ONE_OVER_295K\n\n IF ( LAMBDA .GE. 248.0 .AND. LAMBDA .LE. 349.0 ) THEN\n\n IF ( LAMBDA .LE. 302.0 ) THEN\n\n!***wavelengths 248-302 nm\n\n AA = 1.60E-19 * ( TEMP_OVER_295K )**(-2.38)\n BB = 0.55E-03 * ( TEMP_OVER_295K )**(-3.19)\n A1 = AA * EXP( -BB * ( ONE_OVER_LAMBDA - 33113.0 ) )\n RQY_ACETONE_CH3CO = ( 1.0 + A1*DENS0 ) / ( 1.0 + A1*DENS_NUMB )\n\n!***wavelengths 302-349 nm\n\n ELSE\n\n AA = 1.62E-17 * ( TEMP_OVER_295K )**(-10.03)\n BB = 1.79E-03 * ( TEMP_OVER_295K )**(-1.364)\n A2 = AA * EXP( -BB * ( ONE_OVER_LAMBDA - 30488.0 ) )\n\n AA = 26.29 * ( TEMP_OVER_295K )**(-6.59)\n BB = 5.72E-7 * ( TEMP_OVER_295K )**(-2.93)\n CC = 30006.0 * ( TEMP_OVER_295K )**(-0.064)\n A3 = AA * EXP( -BB * ( ONE_OVER_LAMBDA - CC )**2.0 )\n\n AA = 1.67E-15 * ( TEMP_OVER_295K )**(-7.25)\n BB = 2.08E-03 * ( TEMP_OVER_295K )**(-1.16)\n A4 = AA * EXP( -BB * ( ONE_OVER_LAMBDA - 30488.0 ) )\n\n!***below qy_ch3co values are normalized by (1 - qy_co) which does not depend on\n!***number density\n PHI_CH3CO = ( 1.0 + A4 * DENS_NUMB + A3 )\n & / ( ( 1.0 + A2 * DENS_NUMB + A3 ) * ( 1.0 + A4 * DENS_NUMB ) )\n\n PHI_CH3COS = ( ( 1.0 + A2 * DENS0 + A3 ) * ( 1.0 + A4 * DENS0 ) )\n & / ( 1.0 + A4 * DENS0 + A3 )\n\n RQY_ACETONE_CH3CO = PHI_CH3CO * PHI_CH3COS\n\n END IF\n\n ELSE ! set RQY to 1.0 for 248.0 > LAMBDA or LAMBDA 349.0\n\n RQY_ACETONE_CH3CO = 1.0\n\n END IF\n\n RETURN\n END FUNCTION RQY_ACETONE_CH3CO\n#ifdef preprocessor\n REAL FUNCTION RQUANTUM_ACETONE( TEMP, DENS_NUMB, LAMBDA )\n#else\n REAL FUNCTION RQUANTUM_ACETONE( TEMP, DENS_NUMB, IWAVE )\n#endif\n\n\nC-----------------------------------------------------------------------\nC Computes total acetone quantum yields at (TEMP, DENS_NUMB) relative to\nC quantum yields at (TEMP, DENS_NUMB = 2.46E19) according to\nC IUPAC (2013) recommendation based on\nC Blitz, M. A., D. E. Heard, M. J. Pilling, S. R. Arnold, and M. P. Chipperfield\nC (2004), Pressure and temperature-dependent quantum yields for the\nC photodissociation of acetone between 279 and 327.5 nm, Geophys.\nC Res. Lett., 31, L06111, doi:10.1029/2003GL018793.\nC-----------------------------------------------------------------------\n\n IMPLICIT NONE\n\n!***arguments\n\n REAL, INTENT(IN) :: TEMP ! air temperature, K\n REAL, INTENT(IN) :: DENS_NUMB ! air number density, 1/cm^3\n#ifdef preprocessor\n REAL, INTENT(IN) :: LAMBDA ! wavelength, nm\n#else\n INTEGER, INTENT(IN) :: IWAVE ! wavelength index\n#endif\n\n!***local\n REAL, PARAMETER :: ONE_OVER_295K = 1.0 / 295.0 ! 1/K\n REAL, PARAMETER :: DENS0 = 2.46E19 ! air number at STP, molecules/cm^3\n\n REAL A0 ! 1st coef for qy\n REAL A1 ! 2nd coef for qy\n REAL A2 ! 3rd coef for qy\n REAL A3 ! 4th coef for qy\n REAL A4 ! 5th coef for qy\n\n REAL PHI_CO ! CO branch of IUPAC (2013) acetone QYZ\n REAL DEL_PHI_CO ! one minus CO branch of IUPAC (2013) acetone QYZ\n REAL PHI_CH3CO ! CH3CO branch of IUPAC (2013) acetone QYZ\n REAL PHI_CH3CO0 ! CH3CO branch of IUPAC (2013) acetone QYZ at DENS0\n REAL AA ! scratch variable for IUPAC (2013) acetone QYZ\n REAL BB ! scratch variable for IUPAC (2013) acetone QYZ\n REAL CC ! scratch variable for IUPAC (2013) acetone QYZ\n\n REAL TEMP_OVER_295K ! temperature divided by 295 K\n REAL ONE_OVER_LAMBDA ! reciprocal of wavelength, 1E7/nm or 1/cm\n#ifndef preprocessor\n REAL LAMBDA ! wavelength, nm\n\n LAMBDA = WAVELENGTH( IWAVE )\n ONE_OVER_LAMBDA = WAVENUMBER( IWAVE )\n#else\n ONE_OVER_LAMBDA = 1.0E7 / LAMBDA\n#endif\n\n TEMP_OVER_295K = TEMP * ONE_OVER_295K\n\n IF ( LAMBDA .GE. 248.0 .AND. LAMBDA .LE. 349.0 ) THEN\n\n AA = 0.350 * ( TEMP_OVER_295K )**(-1.28)\n BB = 0.068 * ( TEMP_OVER_295K )**(-2.65)\n A0 = ( AA / ( 1.0 - AA ) ) * EXP( BB * ( LAMBDA - 248.0 ) )\n PHI_CO = 1.0 / ( 1.0 + A0 )\n DEL_PHI_CO = MAX(0.0, 1.0 - PHI_CO)\n\n IF ( LAMBDA .LE. 302.0 ) THEN\n\n!***wavelengths 248-302 nm\n\n AA = 1.600E-19 * ( TEMP_OVER_295K )**(-2.38)\n BB = 0.55E-03 * ( TEMP_OVER_295K )**(-3.19)\n A1 = AA * EXP( -BB * ( ( ONE_OVER_LAMBDA ) - 33113.0 ) )\n PHI_CH3CO = DEL_PHI_CO / ( 1.0 + A1*DENS_NUMB )\n PHI_CH3CO0 = DEL_PHI_CO / ( 1.0 + A1*DENS0 )\n\n!***wavelengths 302-349 nm\n\n ELSE\n\n AA = 1.62E-17 * ( TEMP_OVER_295K )**(-10.03)\n BB = 1.79E-03 * ( TEMP_OVER_295K )**(-1.364)\n A2 = AA * EXP( -BB * ( ONE_OVER_LAMBDA - 30488.0 ) )\n\n AA = 26.29 * ( TEMP_OVER_295K )**(-6.59)\n BB = 5.72E-7 * ( TEMP_OVER_295K )**(-2.93)\n CC = ( 30006.0 ) * ( TEMP_OVER_295K )**(-0.064)\n A3 = AA * EXP( -BB * ( ONE_OVER_LAMBDA - CC )**2.0 )\n\n AA = 1.67E-15 * ( TEMP_OVER_295K )**(-7.25)\n BB = 2.08E-03 * ( TEMP_OVER_295K )**(-1.16)\n A4 = AA * EXP( -BB * ( ONE_OVER_LAMBDA - 30488.0 ) )\n\n PHI_CH3CO = DEL_PHI_CO\n & * ( 1.0 + A4 * DENS_NUMB + A3 )\n & / ( ( 1.0 + A2 * DENS_NUMB + A3 )\n & * ( 1.0 + A4 * DENS_NUMB ) )\n\n PHI_CH3CO0 = DEL_PHI_CO\n & * ( 1.0 + A4 * DENS0 + A3 )\n & / ( ( 1.0 + A2 * DENS0 + A3 )\n & * ( 1.0 + A4 * DENS0 ) )\n\n END IF\n\n IF( (PHI_CO + PHI_CH3CO0) .GT. 1.0E-10 )THEN\n RQUANTUM_ACETONE = ( PHI_CO + PHI_CH3CO ) / ( PHI_CO + PHI_CH3CO0 )\n ELSE\n RQUANTUM_ACETONE = 1.0\n END IF\n\n ELSE\n\n RQUANTUM_ACETONE = 1.0\n\n END IF\n\n\n RETURN\n END FUNCTION RQUANTUM_ACETONE\n#ifdef preprocessor\n REAL FUNCTION RQY_GLYOXAL( TEMP, DENS_NUMB, LAMBDA )\n#else\n REAL FUNCTION RQY_GLYOXAL( TEMP, DENS_NUMB, IWAVE )\n#endif\n\n!-----------------------------------------------------------------------\n! Computes total glyoxal (CHOCHO) quantum yield at (TEMP, DENS_NUMB)\n! relative to total yield at (TEMP0, DENS_NUMB = 2.46E19) according to\n! IUPAC (2013) recommendation\n! http://iupac.pole-ether.fr/htdocs/datasheets/pdf/P4_%28CHO%292+hv.pdf\n! that is based on\n! Salter, R. J., Blitz, M. A., Heard, D. E., Kovacs, T., Pilling, M. J.,\n! Rickard, A. R. and Seakins, P. W. (2013), Quantum yields for the photolysis\n! of glyoxal below 350 nm and parameterisations for its photolysis rate in\n! the troposphere, Phys. Chem. Chem. Phys., 15, 4984-4994,\n! doi:10.1039/c3cp43597k.\n!-----------------------------------------------------------------------\n\n IMPLICIT NONE\n\n!***arguments\n REAL, INTENT(IN) :: TEMP ! air temperature, K\n REAL, INTENT(IN) :: DENS_NUMB ! air number density, 1/cm^3\n#ifdef preprocessor\n REAL, INTENT(IN) :: LAMBDA ! wavelength, nm\n#else\n INTEGER, INTENT(IN) :: IWAVE ! wavelength index\n#endif\n!***local\n REAL, PARAMETER :: ONE_OVER_295K = 1.0 / 295.0 ! 1/K\n REAL( 8 ), PARAMETER :: DENS0 = 2.46D19 ! air number at STP, molecules/cm^3\n\n REAL( 8 ) TEMP_OVER_295K ! temperature divided by 295 K\n\n REAL( 8 ) AA ! scratch variable for qy\n REAL( 8 ) BB ! scratch variable for qy\n REAL( 8 ) A1 ! 2nd coef for qy\n REAL( 8 ) A2 ! 3rd coef for qy\n REAL( 8 ) A3 ! 4th coef for qy\n REAL( 8 ) WN_OFFSET ! adjusted wavenumber, 1/cm\n REAL( 8 ) R8_DENS ! air number density, 1/cm^3\n\n REAL ONE_OVER_LAMBDA ! wavenumber, 10E7/nm or 1/cm\n REAL QY_DENS_NUMB ! total qy at DENS_NUMB\n REAL IQY_DENS0 ! reciprocal of total qy at DENS0\n#ifndef preprocessor\n REAL LAMBDA ! wavelength, nm\n\n LAMBDA = WAVELENGTH( IWAVE )\n WN_OFFSET = REAL( WAVENUMBER( IWAVE ) - 23800.0, 8 )\n#else\n WN_OFFSET = REAL( 1.0E7 / LAMBDA - 23800.0, 8 )\n#endif\n\n TEMP_OVER_295K = REAL( TEMP * ONE_OVER_295K, 8 )\n R8_DENS = REAL( DENS_NUMB, 8 )\n\n\n IF( LAMBDA .LT. 460.0 .AND. LAMBDA .GT. 250.0 )THEN\n AA = 6.48D-19 * TEMP_OVER_295K**(-1.83D0)\n BB = 7.60D-04 * TEMP_OVER_295K**(-0.515D0)\n A1 = AA * EXP( -BB * WN_OFFSET )\n\n AA = 1.128D02 * TEMP_OVER_295K**(-1.53D0)\n BB = 4.61D-03 * TEMP_OVER_295K**(-0.507D0)\n A2 = AA * EXP( -BB * WN_OFFSET )\n\n AA = 2.25D-16 * TEMP_OVER_295K**(-9.18D0)\n BB = 7.80D-04 * TEMP_OVER_295K**(-7.03D0)\n A3 = AA * EXP( -BB * WN_OFFSET )\n\n!*** note that values are normalized by total qy at DENS = 0.0 but\n! its values equals 1.0\n\n IQY_DENS0 = REAL( (1.0 + A2 + A3*DENS0 )\n & / ((1.0 + A1*DENS0 + A2)*(1.0 + A3*DENS0)) )\n\n QY_DENS_NUMB = REAL( (1.0 + A2 + A3*R8_DENS )\n & / ((1.0 + A1*R8_DENS + A2)*(1.0 + A3*R8_DENS)) )\n\n\n RQY_GLYOXAL = QY_DENS_NUMB * IQY_DENS0\n\n ELSE\n\n RQY_GLYOXAL = 1.0\n\n END IF\n\n RETURN\n END FUNCTION RQY_GLYOXAL\n END MODULE CSQY_DATA\n" }, { "path": "CCTM/src/phot/inline/PHOTOLYSIS_ALBEDO.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n!:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n MODULE PHOTOLYSIS_ALBEDO\n \nC-----------------------------------------------------------------------\nC FUNCTION: Module contains a function and subroutine use to calculate the diffuse\nC and direct spectral albedo based on the fractional land use for each grid cell\nC\nC History:\nC 06/04/13 Bill Hutzell - Initial based on the albedo algorithm from phot.F\nC from CMAQ 5.01\nC 08/08/14 Bill Hutzell - 1) commented out snow effect for water surfaces based on \nC assumption that snow disolves on contact and causes no\nC change on reflectivity\nC 2) changed how snow correction for land and sea ice takes\nC place. The change uses a snow albedo, computed in the\nC initialization routine instead of using the the snow\nC correction factor at each call for the surface albedo\nC calculation. The goal is to make the code easier to modify.\nC 02/01/19 David Wong - Implemented centralized I/O approach, removed all MY_N\nC clauses\nC-----------------------------------------------------------------------\n\n IMPLICIT NONE \n\n REAL, ALLOCATABLE :: SURFACE_ALBEDO( :,:,: ) ! time dependent surface albedo\n REAL, ALLOCATABLE :: DIFFUSE_ALBEDO( :,:,: ) ! time dependent surface albedo\n REAL, ALLOCATABLE :: WATER_FRACTION( :,: ) ! cell fraction covered by water or ocean\n REAL, ALLOCATABLE :: SEAICE ( :,: ) ! sea ice cover (fraction)\n REAL, ALLOCATABLE :: SNOCOV ( :,: ) ! snow cover (fractional)\n\n INTEGER :: STDATE ! starting GMT [YYYYDDD]\n INTEGER :: STTIME ! starting time [HHMMSS]\n INTEGER :: STRTHR ! starting GMT hour [HH]\n REAL :: JYFREQ ! 2PI/(# days in JYEAR)\n\n! public variables:\n PUBLIC SURFACE_ALBEDO, DIFFUSE_ALBEDO, WATER_FRACTION, SEAICE, SNOCOV,\n & STDATE, STTIME, STRTHR, JYFREQ\n\n! public procedures:\n PUBLIC INITIALIZE_ALBEDO, GET_ALBEDO\n\n PRIVATE\n\n REAL, PARAMETER :: SEAICE_POINT = 271.36 ! [K] -threshold to form sea ice\n ! based 2005 WRF model Documentation\n\n CHARACTER( 80 ) :: LAND_SCHEME\n INTEGER :: NUMB_LANDUSE\n INTEGER :: N_LAND_CLASSES ! number of land classes in scheme\n INTEGER :: N_WATER_CLASSES ! number of water classes in scheme\n\n REAL, ALLOCATABLE :: LANDMASK( :,: ) ! land-water mask: 1 for land and 0 for water\n INTEGER, ALLOCATABLE :: ALBMAP_TO_REF( : ) ! map from reference to used landuse for albedo\n REAL, ALLOCATABLE :: ALBFAC_TO_REF( : ) ! factor from reference to used landuse for albedo\n\n REAL, ALLOCATABLE :: LAND_ANNUAL ( :,:,:,: ) ! annual average of land albedo weighted by class\n REAL, ALLOCATABLE :: WATER_ANNUAL ( :,:,:,: ) ! annual average for water albedo weighted class\n REAL, ALLOCATABLE :: LAND_SNOW ( :,:,:,: ) ! snow covered albedo for land weighted by class\n REAL, ALLOCATABLE :: MAXIMUM_ALBEDO( : ) ! maximum allowed albedo per wavelength\n REAL, ALLOCATABLE :: WATER_SEASONAL( : ) ! seasonal coefficient for water albedo\n REAL, ALLOCATABLE :: WATER_ZENITH ( : ) ! solar zenith coefficient for water albedo\n\n REAL, ALLOCATABLE :: LAND_SEASONAL ( : ) ! seasonal coefficient for land albedo\n REAL, ALLOCATABLE :: LAND_ZENITH ( : ) ! solar zenith coefficient for land albedo\n\n REAL, ALLOCATABLE :: SEAICE_ANNUAL ( : ) ! annual average for sea ice \n REAL, ALLOCATABLE :: SEAICE_SNOW ( : ) ! snow covered albedo for sea ice \n REAL :: SEAICE_SEASONAL ! seasonal coefficient for sea ice albedo\n REAL :: SEAICE_ZENITH ! solar zenith coefficient for sea ice albedo\n \n REAL, ALLOCATABLE :: SFACTOR_LAND ( : ) ! seasonal correction for land albedo for land class\n REAL, ALLOCATABLE :: SFACTOR_WATER( : ) ! seasonal correction for water albedo for water class\n REAL, ALLOCATABLE :: ZFACTOR_LAND ( : ) ! combined seasonal and solar zenith angle correction for land class\n REAL, ALLOCATABLE :: ZFACTOR_WATER( : ) ! combined seasonal and solar zenith angle correction for water class\n REAL, ALLOCATABLE :: TEMPG ( :,: ) ! ground surface temperature [K]\n\n REAL WATER_SCALE ! water scaling factor used to calculate surface albedo\n REAL SEASONAL_COEFF ! coefficient for seasonal correction to surface albedo\n REAL ZENITH_COEFF ! coefficient for zenith angle correction to surface albedo\n REAL SNOW_COEFF ! coefficient for snow cover correction to surface albedo\n REAL SEA_MODULATE ! seasonal modulation in surface albedo\n REAL ZEN_MODULATE ! zenith angle modulation in surface albedo\n\n CONTAINS\n\n FUNCTION INITIALIZE_ALBEDO( MDATE, MTIME ) RESULT ( SUCCESS )\nC... Function sets up arrays and data needed to calculate surface albedos\nC use in radiative transfer calculation for actinic fluxes\n\n USE UTILIO_DEFN ! IOAPI declaratiion and utilities\n#ifndef mpas\n#ifdef parallel\n USE SE_MODULES ! stenex (using SE_UTIL_MODULE)\n#else\n USE NOOP_MODULES ! stenex (using NOOP_UTIL_MODULE)\n#endif\n#endif\n USE PHOT_MOD ! photolysis in-line module\n USE PCGRID_DEFN ! get cgrid\n\n USE LSM_MOD, ONLY: N_LUFRAC, LSM_SCHEME => LAND_SCHEME\n\n USE CENTRALIZED_IO_MODULE, only : interpolate_var, LWMASK, LUFRAC, HAS_SEAICE\n\n IMPLICIT NONE\n\n INCLUDE SUBST_FILES_ID ! file name parameters\n\nC...Arguments:\n\n INTEGER, INTENT( IN ) :: MDATE ! Julian date (YYYYDDD)\n INTEGER, INTENT( IN ) :: MTIME ! time (HHMMSS)\n\nC...Local:\n REAL :: JYEAR ! year, ADE\n REAL :: MSCALE ! scaling factor \n REAL, ALLOCATABLE :: FRACTION_LANDUSE( :,:,: ) ! fractional cover for a landuse\n\n LOGICAL :: SUCCESS\n CHARACTER( 2 ) :: LU_INDEX\n CHARACTER( 17 ), PARAMETER :: PNAME = 'INITIALIZE_ALBEDO' \n CHARACTER( 16 ) :: VARNM\n CHARACTER( 240 ) :: XMSG = ' '\n\n INTEGER :: ROW\n INTEGER :: COL\n INTEGER :: LEV\n INTEGER :: SPC\n INTEGER :: L\n INTEGER :: NL, NW\n INTEGER :: V, N, MODE\n INTEGER :: ALLOCSTAT\n INTEGER :: IWAVE\n\n LOGICAL, SAVE :: INITIALIZED = .FALSE.\n\n IF ( INITIALIZED ) THEN\n RETURN\n END IF\n\nC...compute start time data and frequency of annual cycle considering leap year\n\n STDATE = MDATE\n STTIME = MTIME\n STRTHR = MTIME / 10000\n JYEAR = FLOAT( MDATE / 1000 ) ! Check this more carefully\n\n IF ( MOD( JYEAR, 4.0 ) .EQ. 0.0 ) THEN\n JYFREQ = 2.0 * PI / 366.0\n ELSE\n JYFREQ = 2.0 * PI / 365.0\n END IF\n\n SELECT CASE( LSM_SCHEME )\n CASE( 'USGS24' )\n NUMB_LANDUSE = NUMB_LANDUSE_USGS ! 24\n LAND_SCHEME = LSM_SCHEME\n CASE( 'MODIS' )\n NUMB_LANDUSE = NUMB_LANDUSE_MODIS ! 33\n LAND_SCHEME = LSM_SCHEME\n CASE( 'NLCD50' )\n NUMB_LANDUSE = NUMB_LANDUSE_NLCD50 ! 50\n LAND_SCHEME = LSM_SCHEME\n CASE( 'NLCD40' )\n NUMB_LANDUSE = NUMB_LANDUSE_NLCD40 ! 40\n LAND_SCHEME = LSM_SCHEME\n IF ( NO_NLCD40 ) THEN\n XMSG = 'GRID_CRO_2D uses NLCD40 landuse scheme but '\n & // 'CSQY_FILE does not have albedo factors for '\n & // 'NLCD40'\n WRITE( LOGDEV,'( A )' ) TRIM( PNAME ) // ' : ' // XMSG\n SUCCESS = .FALSE.\n RETURN\n END IF\n CASE DEFAULT\n LAND_SCHEME = 'UNKNOWN'\n NUMB_LANDUSE = 2 ! simple land-water surface albedo\n END SELECT\n\n IF ( NUMB_LANDUSE .NE. 2 ) THEN ! test N_LUFRAC\n IF ( NUMB_LANDUSE .NE. N_LUFRAC ) THEN\n XMSG = TRIM( LAND_SCHEME ) // ' Landuse Scheme from (LSM) does '\n & // 'not match number of classes expected in PHOT_OPTICS_DATA '\n & // 'file'\n WRITE(LOGDEV,'( A )')TRIM( PNAME ) // ' : ' // XMSG\n WRITE(LOGDEV,'( 2(A,I4) )')'PHOT_OPTICS_DATA Value: ',NUMB_LANDUSE,\n & ' Value from Land Surface Module (LSM): ', N_LUFRAC\n IF( TRIM( LAND_SCHEME ) .EQ. 'MODIS' .AND. N_LUFRAC .EQ. 20 )THEN\n NUMB_LANDUSE = 20\n XMSG = 'Special Case MODIS landuse: MET data has only first 20 classes'\n WRITE(LOGDEV,'( A )')TRIM( PNAME ) // ' : ' // XMSG\n XMSG = 'Albedo calculations use only these classes'\n WRITE(LOGDEV,'( A )')TRIM( PNAME ) // ' : ' // XMSG\n ELSE\n SUCCESS = .FALSE.\n RETURN\n END IF\n END IF\n END IF\n\n ALLOCATE ( ALBMAP_TO_REF( NUMB_LANDUSE ), ALBFAC_TO_REF( NUMB_LANDUSE ),\n & STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating ALBMAP_TO_REF and ALBFAC_TO_REF'\n WRITE(LOGDEV,'( A )')TRIM( PNAME ) // ' : ' // XMSG\n SUCCESS = .FALSE.\n RETURN\n END IF\n\n ALLOCATE ( FRACTION_LANDUSE( NUMB_LANDUSE,NCOLS,NROWS ),\n & STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating FRACTION_LANDUSE'\n WRITE(LOGDEV,'( A )')TRIM( PNAME ) // ' : ' // XMSG\n SUCCESS = .FALSE.\n RETURN\n END IF\n\n FRACTION_LANDUSE = 0.0\n ALBMAP_TO_REF = -1\n ALBFAC_TO_REF = 0.0\n\n SELECT CASE( LAND_SCHEME )\n CASE( 'USGS24' )\n ALBMAP_TO_REF( 1:NUMB_LANDUSE ) = ALBMAP_REF2USGS( 1:NUMB_LANDUSE )\n ALBFAC_TO_REF( 1:NUMB_LANDUSE ) = ALBFAC_REF2USGS( 1:NUMB_LANDUSE )\n CASE( 'MODIS' )\n ALBMAP_TO_REF( 1:NUMB_LANDUSE ) = ALBMAP_REF2MODIS( 1:NUMB_LANDUSE )\n ALBFAC_TO_REF( 1:NUMB_LANDUSE ) = ALBFAC_REF2MODIS( 1:NUMB_LANDUSE )\n CASE( 'NLCD50' )\n ALBMAP_TO_REF( 1:NUMB_LANDUSE ) = ALBMAP_REF2NLCD50( 1:NUMB_LANDUSE )\n ALBFAC_TO_REF( 1:NUMB_LANDUSE ) = ALBFAC_REF2NLCD50( 1:NUMB_LANDUSE )\n CASE( 'NLCD40' )\n ALBMAP_TO_REF( 1:NUMB_LANDUSE ) = ALBMAP_REF2NLCD40( 1:NUMB_LANDUSE )\n ALBFAC_TO_REF( 1:NUMB_LANDUSE ) = ALBFAC_REF2NLCD40( 1:NUMB_LANDUSE )\n CASE DEFAULT\n ALBMAP_TO_REF( 1 ) = INDEX_GRASSLAND_REF\n ALBFAC_TO_REF( 1 ) = 1.0\n ALBMAP_TO_REF( 2 ) = INDEX_OCEAN_REF\n ALBFAC_TO_REF( 2 ) = 1.0\n N_WATER_CLASSES = 1\n N_LAND_CLASSES = 1\n END SELECT\n\n IF ( LAND_SCHEME .NE. 'UNKNOWN' ) THEN\n WRITE( LOGDEV,'( 5X, A /5X, A )' ) TRIM( PNAME )\n & // ': Identified ' // TRIM( LAND_SCHEME ) // ' land use scheme',\n & ' for surface albedo used by inline photolysis calculation.'\n\n N_WATER_CLASSES = 0\n DO V = 1, NUMB_LANDUSE\n IF ( ALBMAP_TO_REF( V ) .EQ. INDEX_OCEAN_REF ) THEN\n N_WATER_CLASSES = N_WATER_CLASSES + 1\n END IF\n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n FRACTION_LANDUSE( V,COL,ROW ) = LUFRAC( COL,ROW,V )\n END DO\n END DO\n END DO\n N_LAND_CLASSES = NUMB_LANDUSE - N_WATER_CLASSES\n \n IF ( N_LAND_CLASSES .LE. 0 .OR. N_WATER_CLASSES .GE. NUMB_LANDUSE ) THEN\n WRITE(LOGDEV,'( A, I3,1X,I3 )')' N_WATER_CLASSES, N_LAND_CLASSES = ',\n & N_WATER_CLASSES, N_LAND_CLASSES\n XMSG = 'No Land classes found in ' // GRID_CRO_2D //\n & 'as expected for the ' // TRIM( LAND_SCHEME ) // ' land use scheme'\n WRITE(LOGDEV,'( A )')TRIM( PNAME ) // ' : ' // XMSG\n SUCCESS = .FALSE.\n RETURN\n END IF\n IF ( N_LAND_CLASSES .GE. NUMB_LANDUSE .OR. N_WATER_CLASSES .LE. 0 ) THEN\n WRITE(LOGDEV,'( A, I3,1X,I3 )')' N_WATER_CLASSES, N_LAND_CLASSES = ',\n & N_WATER_CLASSES, N_LAND_CLASSES\n XMSG = 'No water classes found in ' // GRID_CRO_2D //\n & 'as expected for the ' // TRIM( LAND_SCHEME ) // ' land use scheme'\n WRITE(LOGDEV,'( A )')TRIM( PNAME ) // ' : ' // XMSG\n SUCCESS = .FALSE.\n RETURN\n END IF\n ELSE\n XMSG = ': Undentified ' // TRIM( LAND_SCHEME )\n & // ' land use scheme for inline photolysis calculation.'\n & // ' Using default land-water albedo for inline photolysis'\n & // ' calculation.'\n WRITE(LOGDEV,'( A )')TRIM( PNAME ) // ' : ' // XMSG\n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n IF ( LWMASK( COL,ROW ) .LT. 0.5 ) THEN\n FRACTION_LANDUSE( 2,COL,ROW ) = 1.0\n ELSE\n FRACTION_LANDUSE( 1,COL,ROW ) = 1.0\n END IF\n END DO\n END DO\n END IF\n\n ALLOCATE ( SNOCOV( NCOLS,NROWS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating SNOCOV array'\n WRITE(LOGDEV,'( A )')TRIM( PNAME ) // ' : ' // XMSG\n SUCCESS = .FALSE.\n RETURN\n END IF\n\n ALLOCATE ( SEAICE( NCOLS,NROWS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating SEAICE array'\n WRITE(LOGDEV,'( A )')TRIM( PNAME ) // ' : ' // XMSG\n SUCCESS = .FALSE.\n RETURN\n END IF\n\n IF ( .NOT. HAS_SEAICE ) THEN\n XMSG = 'MET_CRO_2D DOES NOT CONTAIN SEA ICE DATA. THE SURFACE ALBEDO '\n & // 'DOES NOT INCLUDE ITS EFFECTS. Setting to one if water surface '\n & // 'temperaure is less than 271.36K (WRF formation threshold).'\n WRITE( LOGDEV, '(A)' ) XMSG\n ALLOCATE ( TEMPG( NCOLS,NROWS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating TEMPG array'\n WRITE(LOGDEV,'( A )')TRIM( PNAME ) // ' : ' // XMSG\n SUCCESS = .FALSE.\n RETURN\n END IF\n END IF\n\n ALLOCATE ( MAXIMUM_ALBEDO( NWL ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating MAXIMUM_ALBEDO'\n WRITE(LOGDEV,'( A )')TRIM( PNAME ) // ' : ' // XMSG\n SUCCESS = .FALSE.\n RETURN\n END IF\n\n ALLOCATE ( SURFACE_ALBEDO( NWL,NCOLS,NROWS ),\n & STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating SURFACE_ALBEDO'\n WRITE(LOGDEV,'( A )')TRIM( PNAME ) // ' : ' // XMSG\n SUCCESS = .FALSE.\n RETURN\n END IF\n\n ALLOCATE ( DIFFUSE_ALBEDO( NWL,NCOLS,NROWS ),\n & STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating DIFFUSE_ALBEDO'\n WRITE(LOGDEV,'( A )')TRIM( PNAME ) // ' : ' // XMSG\n SUCCESS = .FALSE.\n RETURN\n END IF\n\n ALLOCATE ( LAND_ANNUAL ( N_LAND_CLASSES,NWL,NCOLS,NROWS ),\n & STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating LAND_ANNUAL'\n WRITE(LOGDEV,'( A )')TRIM( PNAME ) // ' : ' // XMSG\n SUCCESS = .FALSE.\n RETURN\n END IF\n\n ALLOCATE ( LAND_SEASONAL( N_LAND_CLASSES ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating LAND_SEASONAL'\n WRITE(LOGDEV,'( A )')TRIM( PNAME ) // ' : ' // XMSG\n SUCCESS = .FALSE.\n RETURN\n END IF\n\n ALLOCATE ( LAND_ZENITH( N_LAND_CLASSES ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating ALBEDO_ZENITH'\n WRITE(LOGDEV,'( A )')TRIM( PNAME ) // ' : ' // XMSG\n SUCCESS = .FALSE.\n RETURN\n END IF\n\n ALLOCATE ( LAND_SNOW( N_LAND_CLASSES,NWL,NCOLS,NROWS ),\n & STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating ALBEDO_SNOW'\n WRITE(LOGDEV,'( A )')TRIM( PNAME ) // ' : ' // XMSG\n SUCCESS = .FALSE.\n RETURN\n END IF\n\n ALLOCATE ( SFACTOR_LAND( N_LAND_CLASSES ), ZFACTOR_LAND( N_LAND_CLASSES ),\n & STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating SFACTOR_LAND and ZFACTOR_LAND'\n WRITE(LOGDEV,'( A )')TRIM( PNAME ) // ' : ' // XMSG\n SUCCESS = .FALSE.\n RETURN\n END IF\n\n ALLOCATE ( WATER_ANNUAL( N_WATER_CLASSES,NWL,NCOLS,NROWS ),\n & STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating WATER_ANNUAL'\n WRITE(LOGDEV,'( A )')TRIM( PNAME ) // ' : ' // XMSG\n SUCCESS = .FALSE.\n RETURN\n END IF\n\n ALLOCATE( SFACTOR_WATER( N_LAND_CLASSES ), ZFACTOR_WATER( N_WATER_CLASSES ),\n & STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating SFACTOR_WATER and ZFACTOR_WATER'\n WRITE(LOGDEV,'( A )')TRIM( PNAME ) // ' : ' // XMSG\n SUCCESS = .FALSE.\n RETURN\n END IF\n\n ALLOCATE ( SEAICE_ANNUAL( NWL ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating SEAICE_ANNUAL'\n WRITE(LOGDEV,'( A )')TRIM( PNAME ) // ' : ' // XMSG\n SUCCESS = .FALSE.\n RETURN\n END IF\n\n ALLOCATE ( SEAICE_SNOW( NWL ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating SEAICE_SNOW'\n WRITE(LOGDEV,'( A )')TRIM( PNAME ) // ' : ' // XMSG\n SUCCESS = .FALSE.\n RETURN\n END IF\n\n ALLOCATE ( WATER_FRACTION( NCOLS,NROWS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating WATER_FRACTION'\n WRITE(LOGDEV,'( A )')TRIM( PNAME ) // ' : ' // XMSG\n SUCCESS = .FALSE.\n RETURN\n END IF\n\n ALLOCATE ( WATER_SEASONAL( N_WATER_CLASSES ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating WATER_SEASONAL'\n WRITE(LOGDEV,'( A )')TRIM( PNAME ) // ' : ' // XMSG\n SUCCESS = .FALSE.\n RETURN\n END IF\n\n ALLOCATE ( WATER_ZENITH( N_WATER_CLASSES ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating WATER_ZENITH'\n WRITE(LOGDEV,'( A )')TRIM( PNAME ) // ' : ' // XMSG\n SUCCESS = .FALSE.\n RETURN\n END IF\n\n SURFACE_ALBEDO = 0.0\n DIFFUSE_ALBEDO = 0.0\n LAND_ANNUAL = 0.0\n LAND_SEASONAL = 0.0\n LAND_ZENITH = 0.0\n LAND_SNOW = 0.0\n\nC...determine average albedo and its adjustment factors for zenith angle, season and snow cover\n\n WATER_FRACTION = 0.0\n\n WATER_SEASONAL = 1.0\n WATER_ZENITH = 0.0\n WATER_ANNUAL = 0.0\n\n LAND_SEASONAL = 1.0\n LAND_ZENITH = 0.0\n LAND_SNOW = 0.0\n LAND_ANNUAL = 0.0\n\n MAXIMUM_ALBEDO = 0.0\n\n NW = 0\n NL = 0\n DO V = 1, NUMB_LANDUSE\n! set values for maximum allowed albedo; should correspond to fresh snow \n L = ALBMAP_TO_REF( V )\n DO IWAVE = 1, NWL\n MAXIMUM_ALBEDO( IWAVE ) = MAX( MAXIMUM_ALBEDO( IWAVE ),\n & ALBFAC_TO_REF( V )* SPECTRAL_ALBEDO_REF( IWAVE, L ) )\n END DO \n IF ( L .EQ. INDEX_OCEAN_REF ) THEN\n NW = NW + 1\n WATER_SEASONAL( NW ) = SEASON_COEFF_REF( L )\n WATER_ZENITH ( NW ) = ZENITH_COEFF_REF( L )\n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n WATER_FRACTION( COL,ROW ) = WATER_FRACTION( COL,ROW )\n & + FRACTION_LANDUSE( V,COL,ROW )\n WATER_SCALE = ALBFAC_TO_REF( V ) * FRACTION_LANDUSE( V,COL,ROW )\n DO IWAVE = 1, NWL\n WATER_ANNUAL( NW,IWAVE,COL,ROW ) = WATER_SCALE * SPECTRAL_ALBEDO_REF( IWAVE, L )\n END DO \n END DO\n END DO \n ELSE\n NL = NL + 1\n LAND_SEASONAL( NL ) = SEASON_COEFF_REF( L )\n LAND_ZENITH ( NL ) = ZENITH_COEFF_REF( L )\n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n MSCALE = ALBFAC_TO_REF( V ) * FRACTION_LANDUSE( V, COL, ROW )\n DO IWAVE = 1, NWL\n LAND_ANNUAL( NL,IWAVE,COL,ROW ) = MSCALE * SPECTRAL_ALBEDO_REF( IWAVE, L )\n LAND_SNOW ( NL,IWAVE,COL,ROW ) = SNOW_COEFF_REF( L ) * LAND_ANNUAL( NL,IWAVE,COL,ROW )\n END DO\n END DO\n END DO \n END IF\n END DO \n \nC...set up sea ice annual and snow albedos along with correction factors\n\n L = INDEX_SEA_ICE\n SEAICE_SEASONAL = SEASON_COEFF_REF( L )\n SEAICE_ZENITH = ZENITH_COEFF_REF( L )\n DO IWAVE = 1, NWL\n SEAICE_ANNUAL( IWAVE ) = SPECTRAL_ALBEDO_REF( IWAVE, L )\n SEAICE_SNOW ( IWAVE ) = SNOW_COEFF_REF( L ) * SEAICE_ANNUAL( IWAVE )\n! write(logdev,*)'SEAICE, SEAICE_ANNUAL, SEAICE_SNOW, SEAICE_SEASONAL, SEAICE_ZENITH = ', \n! & SEAICE_ANNUAL( IWAVE), SEAICE_SNOW( IWAVE ),SEAICE_SEASONAL\n END DO\n \n SUCCESS = .TRUE.\n \n RETURN\n \n END FUNCTION INITIALIZE_ALBEDO\n \n SUBROUTINE GET_ALBEDO( MDATE, MTIME, COSZENS, LAT, LON )\n \nC... Subroutine calculates diffuse and direct surface albedo versus wavelength over a set of\nC latitudes and longitudes\n\n USE UTILIO_DEFN ! IOAPI declaratiion and utilities\n USE PHOT_MOD ! photolysis in-line module\n#ifndef mpas\n#ifdef parallel\n USE SE_MODULES ! stenex (using SE_UTIL_MODULE)\n#else\n USE NOOP_MODULES ! stenex (using NOOP_UTIL_MODULE)\n#endif\n#endif\n USE PCGRID_DEFN ! get cgrid\n USE CENTRALIZED_IO_MODULE, only : interpolate_var, HAS_SEAICE\n\n IMPLICIT NONE\n\n INCLUDE SUBST_FILES_ID ! file name parameters\n\nC arguments:\n\n INTEGER, INTENT( IN ) :: MDATE ! Julian date (YYYYDDD)\n INTEGER, INTENT( IN ) :: MTIME ! time (HHMMSS)\n REAL, INTENT( IN ) :: COSZENS( :,: ) ! cosine of the solar zenith angle\n REAL, INTENT( IN ) :: LAT( :,: ) ! north lat at cell center [deg]\n REAL, INTENT( IN ) :: LON( :,: ) ! west long at cell center [deg] \n\nC local:\n REAL :: CURRENT_HOUR ! current GMT hour [sec]\n REAL :: JULIAN_DAY ! julian day [days]\n REAL :: CURRHR_LST ! local standard time at each grid cell\n REAL :: EQUATION_TIME ! equation of time\n REAL :: COSZEN ! working cosine of the solar zenith angle\n REAL :: SINLAT ! sine of latitude\n REAL :: COSLAT ! cosine of latitude\n REAL :: MSCALE ! scaling factor \n\n REAL :: ALBEDO_LAND ! scratch variable for land fraction\n REAL :: ALBEDO_WATER ! scratch variable for water fraction\n REAL :: ALBEDO_SEAICE ! scratch variable for seaice fraction\n\n REAL :: SFACTOR_SEAICE ! seasonal correction for seaice albedo\n REAL :: ZFACTOR_SEAICE ! solar zenith angle correction for seaice albedo\n REAL :: SNOW_FREE ! snow free fraction of cell\n REAL :: ICE_FREE ! water fraction free sea ice \n CHARACTER( 17 ), PARAMETER :: PNAME = 'GET_ALBEDO'\n CHARACTER( 16 ) :: VARNM\n CHARACTER( 240 ) :: XMSG = ' '\n\n INTEGER :: ROW\n INTEGER :: COL\n INTEGER :: LEV\n INTEGER :: SPC\n INTEGER :: L\n INTEGER :: IWAVE\n INTEGER :: NW, NL\n INTEGER :: V, N, MODE\n INTEGER :: ALLOCSTAT\n\nC...Read & Interpolate SNOCOV\n\n call interpolate_var ('SNOCOV', mdate, mtime, SNOCOV)\n\n IF ( HAS_SEAICE ) THEN\n\n call interpolate_var ('SEAICE', mdate, mtime, SEAICE)\n\n ELSE\n\n call interpolate_var ('TEMPG', mdate, mtime, TEMPG)\n\n END IF\n\nC...Calculate current hour in GMT and julian day\n\n CURRENT_HOUR = REAL( STRTHR, 4 )\n & + REAL( SECSDIFF( STDATE, STTIME, MDATE, MTIME ), 4 )\n & / 3600.0\n\n JULIAN_DAY = REAL(MOD( MDATE, 1000 ), 4 )\n\nC...Calculate cosines of the zenith angles\n\n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n\n SINLAT = SIN( PI180 * LAT ( COL,ROW ) )\n COSLAT = COS( PI180 * LAT ( COL,ROW ) )\n\nC...correct CURRHR for current *positive* West longitude convention\nC... to obtain LST.\n\nC...this convention on longititude should be reexamined for different domains\n\n CURRHR_LST = CURRENT_HOUR + LON( COL,ROW ) / 15.0\n\n IF ( .NOT. HAS_SEAICE ) THEN ! determine sea ice can form\n IF ( TEMPG( COL,ROW ) .LT. SEAICE_POINT .AND.\n & WATER_FRACTION( COL,ROW ) .GE. 0.95 ) THEN\n SEAICE( COL,ROW ) = 1.0\n ELSE\n SEAICE( COL,ROW ) = 0.0\n END IF\n END IF\n\nC...determine seasonal and snow corrections to surface albedo\nC... convert julian into time of year for grid cell\nC... seasonal adjustment has an 11 day phase delay in the solar cycle\n\n IF ( LAT( COL,ROW ) .GE. 0.0 ) THEN\n SEA_MODULATE = COS( JYFREQ * ( JULIAN_DAY + CURRHR_LST / 24.0 + 11.0 ) )\n ELSE\n SEA_MODULATE = COS( JYFREQ * ( JULIAN_DAY + CURRHR_LST / 24.0 + 11.0 ) + PI )\n END IF\n\n IF ( SEA_MODULATE .GE. 0.0 ) THEN\n MSCALE = 0.5 * ( 1.0 + SQRT( SEA_MODULATE ) )\n ELSE\n SEA_MODULATE = ABS( SEA_MODULATE )\n MSCALE = 0.5 * ( 1.0 - SQRT( SEA_MODULATE ) )\n END IF\n\n!.. MSCALE equals 1 and 0 on winter and summer soltices, respectively\n!... Note that seasonal factors are equal to or less than 1.0\n \n FORALL ( NL = 1:N_LAND_CLASSES )\n SFACTOR_LAND( NL ) = 1.0 /( 1.0 + MSCALE * (LAND_SEASONAL ( NL ) - 1.0) )\n END FORALL\n! assume that open water has no other effect than sea ice that is a seasonal effect\n! FORALL ( NW = 1:N_WATER_CLASSES )\n! SFACTOR_WATER( NW ) = 1.0 /( 1.0 + MSCALE * (WATER_SEASONAL( NW ) - 1.0) )\n! END FORALL\n! SFACTOR_SEAICE = 1.0 /( 1.0 + MSCALE * (SEAICE_SEASONAL-1.0) )\n\nC..Determine zenith angle correction to albedos\nC...First, test whether zenith angle is greater than 90 degrees.\n IF ( COSZENS( COL,ROW ) .LE. 0.0 ) THEN\n FORALL ( NL = 1:N_LAND_CLASSES )\n ZFACTOR_LAND( NL ) = MAX( 0.8, ( 1.0 + LAND_ZENITH( NL ) ) )\n ZFACTOR_LAND( NL ) = ZFACTOR_LAND( NL ) * SFACTOR_LAND( NL )\n END FORALL\n! Note that water zenith correction is later combined with seasonal correction\n FORALL ( NW = 1:N_WATER_CLASSES )\n ZFACTOR_WATER( NW ) = MAX( 0.8,( 1.0 + WATER_ZENITH( NW ) ) )\n END FORALL\n ZFACTOR_SEAICE = MAX( 0.8, ( 1.0 + SEAICE_ZENITH ) )\n ELSE\n FORALL ( NL = 1:N_LAND_CLASSES )\n ZFACTOR_LAND( NL ) = MAX( 0.8, ( 1.0 + LAND_ZENITH( NL ) )\n & / ( 1.0 + 2.0 * COSZENS( COL,ROW ) * LAND_ZENITH( NL ) ) )\n ZFACTOR_LAND( NL ) = ZFACTOR_LAND( NL ) * SFACTOR_LAND( NL )\n END FORALL\n! Note that water zenith correction is later combined with seasonal correction\n FORALL ( NW = 1:N_WATER_CLASSES )\n ZFACTOR_WATER( NW ) = MAX( 0.8, ( 1.0 + WATER_ZENITH( NW ) )\n & / ( 1.0 + 2.0 * COSZENS( COL,ROW ) * WATER_ZENITH( NW ) ) )\n END FORALL\n ZFACTOR_SEAICE = MAX( 0.8, ( 1.0 + SEAICE_ZENITH )\n & / ( 1.0 + 2.0 * COSZENS( COL,ROW ) * SEAICE_ZENITH ) )\n END IF\n\n SNOW_FREE = MAX( ( 1.0 - SNOCOV( COL,ROW ) ), 0.0 )\n ICE_FREE = MAX( ( 1.0 - SEAICE( COL,ROW ) ), 0.0 )\n\n!...Update the season and zenith corrections for water and sea ice based on ice and water coverage, in\n!...the case for sea ice \n \n FORALL ( NW = 1:N_WATER_CLASSES )\n SFACTOR_WATER( NW ) = ICE_FREE !!! * SFACTOR_WATER( NW )\n ZFACTOR_WATER( NW ) = ZFACTOR_WATER( NW ) * SFACTOR_WATER( NW )\n END FORALL\n\n SFACTOR_SEAICE = SEAICE( COL,ROW ) * WATER_FRACTION( COL,ROW )\n\n DO IWAVE = 1, NWL\n\nC...compute seasonal diffuse albedos for land, water and seaice separately\n\n ALBEDO_LAND = 0.0\n ALBEDO_WATER = 0.0\n\n DO NL = 1, N_LAND_CLASSES\n IF ( LAND_ANNUAL( NL,IWAVE,COL,ROW ) .LT. 1.0E-6 ) CYCLE\n ALBEDO_LAND = ALBEDO_LAND + SFACTOR_LAND( NL )\n & * ( SNOW_FREE * LAND_ANNUAL( NL,IWAVE,COL,ROW )\n & + SNOCOV( COL,ROW ) * LAND_SNOW( NL,IWAVE,COL,ROW ) )\n END DO\n DO NW = 1, N_WATER_CLASSES\n IF ( WATER_ANNUAL( NW,IWAVE,COL,ROW ) .LT. 1.0E-6 ) CYCLE\n ALBEDO_WATER = ALBEDO_WATER \n & + SFACTOR_WATER( NW ) * WATER_ANNUAL( NW,IWAVE,COL,ROW )\n END DO\n\n ALBEDO_SEAICE = SFACTOR_SEAICE\n & * ( SNOW_FREE * SEAICE_ANNUAL( IWAVE )\n & + SNOCOV( COL,ROW ) * SEAICE_SNOW( IWAVE ) )\n\nC...sum for net diffuse albedo\n\n DIFFUSE_ALBEDO( IWAVE,COL,ROW ) = ALBEDO_LAND \n & + ALBEDO_WATER \n & + ALBEDO_SEAICE\n\n MSCALE = MAXIMUM_ALBEDO( IWAVE )\n\n DIFFUSE_ALBEDO( IWAVE,COL,ROW ) = MIN( MSCALE, DIFFUSE_ALBEDO( IWAVE,COL,ROW ) )\n\nC...Calculate albedos for combined correction from solar zenith angle and season\n\n ALBEDO_LAND = 0.0\n ALBEDO_WATER = 0.0\n\n DO NL = 1, N_LAND_CLASSES\n IF ( LAND_ANNUAL( NL,IWAVE,COL,ROW ) .LT. 1.0E-6 ) CYCLE\n ALBEDO_LAND = ALBEDO_LAND + ZFACTOR_LAND( NL ) \n & * ( SNOW_FREE * LAND_ANNUAL( NL,IWAVE,COL,ROW )\n & + SNOCOV( COL,ROW ) * LAND_SNOW( NL,IWAVE,COL,ROW ) )\n END DO\n DO NW = 1, N_WATER_CLASSES\n IF ( WATER_ANNUAL( NW,IWAVE,COL,ROW ) .LT. 1.0E-6 ) CYCLE\n ALBEDO_WATER = ALBEDO_WATER \n & + ZFACTOR_WATER( NW ) * WATER_ANNUAL(NW,IWAVE,COL,ROW )\n END DO\n\n ALBEDO_SEAICE = ZFACTOR_SEAICE * ALBEDO_SEAICE\n\nC....sum for net direct albedo\n\n SURFACE_ALBEDO( IWAVE,COL,ROW ) = ALBEDO_LAND \n & + ALBEDO_WATER \n & + ALBEDO_SEAICE\n\n SURFACE_ALBEDO( IWAVE,COL,ROW ) = MIN( MSCALE, SURFACE_ALBEDO( IWAVE,COL,ROW ) )\n\n END DO ! iwave\n\n END DO ! col\n END DO ! row\n\n RETURN\n\n END SUBROUTINE GET_ALBEDO\n\n END MODULE PHOTOLYSIS_ALBEDO\n" }, { "path": "CCTM/src/phot/inline/PHOT_MET_DATA.F", "content": "!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n! Revision history: 01 Feb, 19 D. Wong: Implemented centralized I/O approach, \n! removed all MY_N clauses\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n\n MODULE PHOT_MET_DATA\n\n IMPLICIT NONE\n\n REAL, ALLOCATABLE :: QC( :,:,: ) ! cloud water content [kg/kg]\n REAL, ALLOCATABLE :: QR( :,:,: ) ! rain water content [kg/kg]\n REAL, ALLOCATABLE :: QI( :,:,: ) ! ice content [kg/kg]\n REAL, ALLOCATABLE :: QS( :,:,: ) ! snow content [kg/kg]\n REAL, ALLOCATABLE :: QG( :,:,: ) ! graupel content [kg/kg]\n REAL, ALLOCATABLE :: QV( :,:,: ) ! water vapor content [kg/kg]\n \n REAL, ALLOCATABLE :: CFRAC_3D( :,:,: ) ! 3D fractional cloud coverage\n REAL, ALLOCATABLE :: CFRAC_2D( :,: ) ! layer averaged 3D fractional cloud coverage\n REAL, ALLOCATABLE :: AVE_HYDROMETEORS( :,: ) ! Cloud Hydrometeor Content averaged over cloudy layers, [g/m3]\n\n! properties of ACM unresolved cloud\n LOGICAL :: USE_ACM_CLOUD = .TRUE.\n \n REAL, ALLOCATABLE :: ACM_CFRAC( :,:,: ) ! total fractional cloud coverage\n REAL, ALLOCATABLE :: ACM_QC ( :,:,: ) ! cloud water content [kg/kg]\n REAL, ALLOCATABLE :: ACM_QR ( :,:,: ) ! rain water content [kg/kg]\n REAL, ALLOCATABLE :: ACM_QI ( :,:,: ) ! ice content [kg/kg]\n REAL, ALLOCATABLE :: ACM_QG ( :,:,: ) ! graupel content [kg/kg]\n REAL, ALLOCATABLE :: ACM_CLOUDS ( :,: ) ! subgrid cloud fractions averaged over cloudy layer\n REAL, ALLOCATABLE :: ACM_AVE_H2O( :,: ) ! subgrid cloud water content averaged over cloudy layer, [g/m3]\n\n REAL, ALLOCATABLE :: COSINE_ZENITH( :,: ) ! cosine of solar zenith angle\n \n REAL, ALLOCATABLE :: DENS ( :,:,: ) ! air density [Kg/m **3]\n REAL, ALLOCATABLE :: TA ( :,:,: ) ! air temperature [K]\n REAL, ALLOCATABLE :: PRES ( :,:,: ) ! air pressure [Pa]\n REAL, ALLOCATABLE :: ZM ( :,:,: ) ! layer half height agl [m]\n REAL, ALLOCATABLE :: ZFULL ( :,:,: ) ! layer full height agl [m]\n \n REAL :: DIST_TO_SUN ! solar distance [au]\n\n! public variables:\n PUBLIC :: QC, QR, QI, QS, QG, QV,\n & CFRAC_2D, CFRAC_3D, AVE_HYDROMETEORS,\n & USE_ACM_CLOUD, ACM_CFRAC, ACM_QC, ACM_QR, ACM_QI, ACM_QG,\n & ACM_CLOUDS, ACM_AVE_H2O,\n & COSINE_ZENITH,\n & DENS, TA, PRES, ZM, ZFULL, DIST_TO_SUN\n\n! public procedures:\n PUBLIC :: GET_PHOT_MET, UPDATE_SUN, CLEAR_ACM_CLOUD, \n & CAPTURE_ACM_CLOUD\n \n PRIVATE\n\n INTEGER :: HYDROMETEORS ! denotes mix of hydrometeors available\n! value cloud water rain ice snow graupel\n! 1 x x\n! 2 x x x x\n! 3 x x x x x\n\n REAL, ALLOCATABLE :: CFRAC ( :,: ) ! total fractional cloud coverage\n REAL, ALLOCATABLE :: DELTA_Z( :,:,: ) ! layer thickness [m]\n\n! flags for hydrometeors available on file:\n! LOGICAL :: QV_AVAIL = .TRUE. ! QV (vapor)\n! LOGICAL :: QC_AVAIL = .TRUE. ! QC (liquid)\n! LOGICAL :: QR_AVAIL = .TRUE. ! QR (rain)\n! LOGICAL :: QI_AVAIL = .TRUE. ! QI (ice)\n! LOGICAL :: QS_AVAIL = .TRUE. ! QS (snow)\n! LOGICAL :: QG_AVAIL = .TRUE. ! QG (graupel)\n! LOGICAL :: CFRAC_3D_AVAIL = .TRUE. ! CFRAC_3D\n\n LOGICAL :: FIRSTIME = .TRUE. ! flag for first pass thru\n\n CHARACTER( 16 ) :: VARNM ! variable name for IOAPI to get\n CHARACTER( 16 ) :: VNAME_RN\n CHARACTER( 300 ) :: XMSG = ' ' ! Exit status message\n\n INTEGER :: LDATE ! last jdate MET data updated\n INTEGER :: LTIME ! last jtime MET data updated\n INTEGER :: STDATE ! jdate MET module initiated\n INTEGER :: STTIME ! jtime MET module initiated\n INTEGER :: ACM_DATE = -1 ! last date routine called\n INTEGER :: ACM_TIME = -1 ! last time routine called\n \n INTEGER :: GXOFF, GYOFF ! global origin offset from file\n\n REAL, ALLOCATABLE :: SINLATS( :,: ) ! sine of latitude\n REAL, ALLOCATABLE :: COSLATS( :,: ) ! cosine of latitude\n REAL :: STRTHR ! starting GMT hour\n\n LOGICAL :: SET_ACM_ARRAYS = .TRUE.\n\n CONTAINS \n \nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE INIT_PHOT_MET( JDATE, JTIME )\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE UTILIO_DEFN\n USE CENTRALIZED_IO_MODULE\n\n IMPLICIT NONE\n\n!...........Includes:\n\n INCLUDE SUBST_CONST ! constants\n INCLUDE SUBST_FILES_ID ! file name parameters\n \n!...........Inputs: \n\n INTEGER, INTENT( IN ) :: JDATE ! current model date, coded YYYYDDD\n INTEGER, INTENT( IN ) :: JTIME ! current model time, coded HHMMSS\n \n!...........Local:\n INTEGER :: COL ! column loop counter\n INTEGER :: ROW ! row loop counter\n INTEGER :: ASTAT ! memory allocation status\n\n CHARACTER( 16 ) :: PNAME = 'INIT_PHOT_MET' \n \n LOGICAL, SAVE :: INITIALIZED = .FALSE.\n \n IF ( INITIALIZED ) RETURN\n \n INITIALIZED = .TRUE.\n \n! set up variables for calculating cosine of solar zenith angle\n\n ALLOCATE ( SINLATS( NCOLS,NROWS ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating SINLATS'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n ALLOCATE ( COSLATS( NCOLS,NROWS ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating COSLATS'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n SINLATS( COL,ROW ) = SIN( PI180 * LAT ( COL,ROW ) )\n COSLATS( COL,ROW ) = COS( PI180 * LAT ( COL,ROW ) )\n END DO\n END DO\n\n ALLOCATE ( COSINE_ZENITH( NCOLS,NROWS ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating COSINE_ZENITH'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n ALLOCATE ( CFRAC( NCOLS,NROWS ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating CFRAC'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n ALLOCATE ( DENS( NCOLS,NROWS,NLAYS ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating DENS'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n ALLOCATE ( TA( NCOLS,NROWS,NLAYS ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating TA'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n ALLOCATE ( PRES( NCOLS,NROWS,NLAYS ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating PRES'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n ALLOCATE ( ZM( NCOLS,NROWS,NLAYS ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating ZM'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n \n ALLOCATE ( ZFULL( NCOLS,NROWS,NLAYS ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating ZFULL'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n ALLOCATE ( DELTA_Z( NCOLS,NROWS,NLAYS ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating DELTA_Z'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n ALLOCATE ( QV( NCOLS,NROWS,NLAYS ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating QV'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n ALLOCATE ( QC( NCOLS,NROWS,NLAYS ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating QC'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n ALLOCATE ( QR( NCOLS,NROWS,NLAYS ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating QR'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n \n HYDROMETEORS = 1 ! always cloud water and rain\n\n! test for which optional hydrometeors are available\n! For WRF/MCIP: if GQ is available, all hydrometeors are available\n! else if QI or QS is available, QC and QR are available\n\n IF ( QG_AVAIL ) THEN\n HYDROMETEORS = 3\n ELSE\n WRITE( LOGDEV, '(3(/10X,A),(/10X,3(A,1X)),(/10X,A))' )\n & 'YOU SHOULD VERIFY that the cloud microphysics scheme used',\n & 'in the Meteorological Model did not include graupel. If',\n & 'it did, then you need to reprocess the meteorological data',\n & 'through MCIP and pass QG to file ',\n & TRIM( MET_CRO_3D ), ' to avoid',\n & 'errors in the photolysis simulation.'\n WRITE( LOGDEV, '((/5X,A),/)' )\n & 'Processing will continue with QG set to ZERO. <<--<<'\n IF ( QI_AVAIL ) THEN\n HYDROMETEORS = 2\n ELSE\n WRITE( LOGDEV, '(3(/10X,A),(/10X,3(A,1X)),(/10X,A))' )\n & 'YOU SHOULD VERIFY that the cloud microphysics scheme used',\n & 'in the Meteorological Model did not include ice/snow. If',\n & 'it did, then you need to reprocess the meteorological data',\n & 'through MCIP and pass QI to file ',\n & TRIM( MET_CRO_3D ), ' to avoid',\n & 'errors in the photolysis simulation.'\n WRITE( LOGDEV, '((/5X,A),/)' )\n & 'Processing will continue with QI set to ZERO. <<---<<'\n END IF\n END IF\n\n ALLOCATE ( QG( NCOLS,NROWS,NLAYS ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating QG'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF \n QG = 0.0\n \n ALLOCATE ( QI( NCOLS,NROWS,NLAYS ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating QI'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n QI = 0.0\n\n ALLOCATE ( QS( NCOLS,NROWS,NLAYS ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating QS'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n QS = 0.0\n\n IF ( SET_ACM_ARRAYS .AND. USE_ACM_CLOUD ) THEN\n CALL INIT_ACM_CLOUD( 0, 0 )\n SET_ACM_ARRAYS = .FALSE.\n END IF\n\n IF ( .NOT. CFRAC_3D_AVAIL ) THEN\n XMSG = 'Variable CFRAC_3D (cloud fraction) not found in ' // MET_CRO_3D\n CALL M3WARN ( PNAME, JDATE, JTIME, XMSG )\n WRITE( LOGDEV, * )\n WRITE( XMSG, '(4A)' )\n & 'Model will diagnose layer cloud fraction using Randall (1995) ',\n & 'and Hong (1998), based on mixing ratios of water vapor and its ',\n & 'condensed states. You may want to reprocess the meteorological ',\n & 'data to obtain layer cloud fractions if possible.'\n CALL LOG_MESSAGE( LOGDEV, XMSG )\n\n END IF\n \n ALLOCATE ( CFRAC_3D( NCOLS,NROWS,NLAYS ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating CFRAC_3D'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n CFRAC_3D = 0.0\n\n ALLOCATE ( CFRAC_2D( NCOLS,NROWS ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating CFRAC_2D'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n ALLOCATE ( AVE_HYDROMETEORS( NCOLS,NROWS ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating AVE_HYDROMETEORS'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n! report out hydrometeors found\n SELECT CASE( HYDROMETEORS )\n CASE( 1 )\n WRITE( LOGDEV,2021 ) TRIM( PNAME ), \"QC and QR\"\n CASE( 2 )\n WRITE( LOGDEV,2021 ) TRIM( PNAME ), \"QC, QR, QI and QS\"\n CASE( 3 )\n WRITE( LOGDEV,2021 ) TRIM( PNAME ), \"QC, QR, QG, QI and QS\"\n END SELECT \n2021 FORMAT( /10X, A, \": Cloud has \", A )\n \n LDATE = 0\n LTIME = 0\n\n STDATE = JDATE\n STTIME = JTIME\n STRTHR = FLOAT( JTIME / 10000 )\n\n FIRSTIME = .FALSE.\n \n END SUBROUTINE INIT_PHOT_MET\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE GET_PHOT_MET( JDATE, JTIME, MDATE, MTIME )\n \n USE GRID_CONF ! horizontal & vertical domain specifications\n USE UTILIO_DEFN ! IO routines & utilties\n USE CENTRALIZED_IO_MODULE\n\n IMPLICIT NONE\n\n! REVISION HISTORY:\n! B.Hutzell Oct 13, 2015 Changed computation of effective resolved fraction, CFRAC_2D,\n! to be consisitent with random cloud overlap model that in used in the \n! radiative transfer calculation. Consult Tain and Curry (1989), JGR, vol.94,\n! 9925-9935 for more information.\n!...........Includes:\n\n INCLUDE SUBST_CONST ! constants\n INCLUDE SUBST_FILES_ID ! file name parameters\n\n INTEGER, INTENT( IN ) :: JDATE ! current model date, coded YYYYDDD\n INTEGER, INTENT( IN ) :: JTIME ! current model time, coded HHMMSS\n INTEGER, INTENT( IN ) :: MDATE ! date for calculation/interpolation(yyyyddd)\n INTEGER, INTENT( IN ) :: MTIME ! time for calculation/interpolation (hhmmss)\n\n!..........Local:\n\n CHARACTER( 16 ), SAVE :: PNAME = 'GET_PHOT_MET'\n \n INTEGER :: COL ! column loop counter\n INTEGER :: ROW ! row loop counter\n INTEGER :: LAY ! layer loop counter\n \n INTEGER :: ASTAT ! allocation status measure\n \n REAL :: SUM_WEIGHTS\n REAL :: WEIGHT\n REAL :: WATER\n \n \n IF ( FIRSTIME ) THEN\n CALL INIT_PHOT_MET( JDATE, JTIME )\n END IF\n\n!...store met file time, date, and step information and compute\n!... the met timestep in hours\n\n IF ( LDATE .EQ. MDATE .AND. LTIME .EQ. MTIME ) RETURN\n \n LDATE = MDATE\n LTIME = MTIME\n\n!... Interpolate time dependent layered input variables\n\n VARNM = 'ZH' ! midlayer height\n call interpolate_var (VARNM, mdate, mtime, ZM)\n\n VARNM = 'ZF' ! full layer height\n call interpolate_var (VARNM, mdate, mtime, ZFULL)\n\n!...Get air density (kg/m3)\n\n VARNM = 'DENS'\n call interpolate_var (VARNM, mdate, mtime, DENS)\n\n!...get temperature [K]\n\n VARNM = 'TA'\n call interpolate_var (VARNM, mdate, mtime, TA)\n \n!...pressure [Pa]\n\n VARNM = 'PRES'\n call interpolate_var (VARNM, mdate, mtime, PRES)\n\n!...Get resolved cloud fractions\n\n VARNM = 'CFRAC'\n call interpolate_var (VARNM, mdate, mtime, CFRAC)\n\n!...Get resolved water vapor mixing ratio (kg H2O / kg air)\n\n VARNM = 'QV'\n call interpolate_var (VARNM, mdate, mtime, QV)\n\n!...Get resolved cloud water mixing ratio (kg H2O / kg air)\n VARNM = 'QC'\n call interpolate_var (VARNM, mdate, mtime, QC)\n\n!...Get resolved rain water mixing ratio (kg H2O / kg air)\n VARNM = 'QR'\n call interpolate_var (VARNM, mdate, mtime, QR)\n\n IF ( QG_AVAIL ) THEN\n!...read resolved graupel and the other hydrometeor mixing ratios (kg H2O / kg air)\n!...from the met file if available\n VARNM = 'QG'\n call interpolate_var (VARNM, mdate, mtime, QG)\n\n!...read resolved ice and snow mixing ratios (kg H2O / kg air)\n VARNM = 'QI'\n call interpolate_var (VARNM, mdate, mtime, QI)\n\n VARNM = 'QS'\n call interpolate_var (VARNM, mdate, mtime, QS)\n\n ELSE IF ( QI_AVAIL ) THEN\n!...read resolved ice and snow mixing ratios (kg H2O / kg air) from the met\n!...from the met file if available\n VARNM = 'QI'\n call interpolate_var (VARNM, mdate, mtime, QI)\n\n VARNM = 'QS'\n call interpolate_var (VARNM, mdate, mtime, QS)\n\n END IF\n \n! floor values of QC, QR, QI, QS, and QG to zero\n\n IF ( QG_AVAIL ) THEN\n DO LAY = 1, NLAYS\n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n QC( COL,ROW,LAY ) = MAX( QC( COL,ROW,LAY ), 0.0 )\n QR( COL,ROW,LAY ) = MAX( QR( COL,ROW,LAY ), 0.0 )\n QI( COL,ROW,LAY ) = MAX( QI( COL,ROW,LAY ), 0.0 )\n QS( COL,ROW,LAY ) = MAX( QS( COL,ROW,LAY ), 0.0 )\n QG( COL,ROW,LAY ) = MAX( QG( COL,ROW,LAY ), 0.0 )\n END DO\n END DO\n END DO\n ELSE IF ( QI_AVAIL ) THEN\n DO LAY = 1, NLAYS\n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n QC( COL,ROW,LAY ) = MAX( QC( COL,ROW,LAY ), 0.0 )\n QR( COL,ROW,LAY ) = MAX( QR( COL,ROW,LAY ), 0.0 )\n QI( COL,ROW,LAY ) = MAX( QI( COL,ROW,LAY ), 0.0 )\n QS( COL,ROW,LAY ) = MAX( QS( COL,ROW,LAY ), 0.0 )\n END DO\n END DO\n END DO\n ELSE\n DO LAY = 1, NLAYS\n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n QC( COL,ROW,LAY ) = MAX( QC( COL,ROW,LAY ), 0.0 )\n QR( COL,ROW,LAY ) = MAX( QR( COL,ROW,LAY ), 0.0 )\n END DO\n END DO\n END DO\n END IF\n\n DO ROW = 1, NROWS \n DO COL = 1, NCOLS\n DELTA_Z( COL,ROW,1 ) = ZFULL( COL,ROW,1 )\n FORALL ( LAY = 2:NLAYS )\n DELTA_Z( COL,ROW,LAY ) = ZFULL( COL,ROW,LAY ) - ZFULL( COL,ROW,LAY-1 )\n END FORALL\n END DO\n END DO\n\n IF ( CFRAC_3D_AVAIL ) THEN ! read from file\n VARNM = 'CFRAC_3D'\n call interpolate_var (VARNM, mdate, mtime, CFRAC_3D)\n \n ELSE ! diagnose CFRAC_3D from available data\n\n CALL CAL_CFRAC_3D()\n\n END IF\n\n! compute averages for resolved cloud \n\n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n SUM_WEIGHTS = 0.0\n CFRAC_2D( COL,ROW ) = 1.0\n AVE_HYDROMETEORS( COL,ROW ) = 0.0\n DO LAY = 1, NLAYS\n IF ( CFRAC_3D( COL,ROW,LAY ) .LE. 0.0 ) CYCLE\n WEIGHT = DELTA_Z( COL,ROW,LAY ) \n CFRAC_2D( COL,ROW ) = CFRAC_2D( COL,ROW )\n & * ( 1.0 - CFRAC_3D( COL,ROW,LAY ) )\n SUM_WEIGHTS = SUM_WEIGHTS + WEIGHT\n\n WATER = QC( COL,ROW,LAY ) + QR( COL,ROW,LAY ) + QI( COL,ROW,LAY )\n & + QS( COL,ROW,LAY ) + QG( COL,ROW,LAY )\n\n AVE_HYDROMETEORS( COL,ROW ) = AVE_HYDROMETEORS( COL,ROW )\n & + DENS( COL,ROW,LAY ) * WATER * WEIGHT\n#ifdef phot_debug \n if ( cfrac_2d( col,row ) .ne. cfrac_2d( col,row ) .or.\n & sum_weights .ne. sum_weights ) then\n write( logdev,\"(a,2es12.4)\" ) \"WEIGHT, CFRAC_3D = \",\n & weight, cfrac_3d( col,row,lay ) \n xmsg = 'Floating point exception for CFRAC_2D'\n call m3exit ( pname, jdate, jtime, xmsg, xstat1 )\n end if\n#endif \n END DO\n IF ( SUM_WEIGHTS .LT. 1.0 ) THEN \n CFRAC_2D( COL,ROW ) = 0.0\n ELSE\n CFRAC_2D( COL,ROW ) = 1.0 - CFRAC_2D( COL,ROW )\n AVE_HYDROMETEORS( COL,ROW ) = 1.0E+3 * AVE_HYDROMETEORS( COL,ROW ) / SUM_WEIGHTS\n END IF\n END DO\n END DO\n\n IF ( USE_ACM_CLOUD ) THEN ! compute averages for subgrid clouds \n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n SUM_WEIGHTS = 0.0\n! ACM_CLOUDS( COL,ROW ) = 0.0\n ACM_AVE_H2O( COL,ROW ) = 0.0\n DO LAY = 1, NLAYS\n IF ( ACM_CFRAC( LAY,COL,ROW ) .LE. 0.0 ) CYCLE\n WEIGHT = DELTA_Z( COL,ROW,LAY ) \n SUM_WEIGHTS = SUM_WEIGHTS + WEIGHT\n! acm clouds do not contain snow\n WATER = ACM_QC( LAY,COL,ROW ) + ACM_QI( LAY,COL,ROW ) \n & + ACM_QG( LAY,COL,ROW ) + ACM_QR( LAY,COL,ROW ) \n\n! assume acm cloud is uniform or constant if it does not equal zero so set in \n! subroutine CAPTURE_ACM_CLOUD\n! ACM_CLOUDS( COL,ROW ) = ACM_CLOUDS( COL,ROW )\n! & + WEIGHT * ACM_CFRAC( LAY,COL,ROW ) \n\n ACM_AVE_H2O( COL,ROW ) = ACM_AVE_H2O( COL,ROW )\n & + DENS( COL,ROW,LAY ) * WEIGHT * WATER\n END DO\n IF ( SUM_WEIGHTS .LT. 1.0 ) CYCLE\n! ACM_CLOUDS( COL,ROW ) = ACM_CLOUDS( COL,ROW ) / SUM_WEIGHTS\n ACM_AVE_H2O( COL,ROW ) = 1.0E+3 * ACM_AVE_H2O( COL,ROW ) / SUM_WEIGHTS\n END DO\n END DO\n END IF\n\n END SUBROUTINE GET_PHOT_MET\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE UPDATE_SUN( JDATE, JTIME, MDATE, MTIME )\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE UTILIO_DEFN ! IO routines & utilties\n USE CENTRALIZED_IO_MODULE\n \n IMPLICIT NONE \n \n!***include files\n\n INCLUDE SUBST_CONST ! physical constants\n \n! Inputs: \n INTEGER, INTENT( IN ) :: JDATE ! current model date, coded YYYYDDD\n INTEGER, INTENT( IN ) :: JTIME ! current model time, coded HHMMSS\n INTEGER, INTENT( IN ) :: MDATE ! date for calculation/interpolation(yyyyddd)\n INTEGER, INTENT( IN ) :: MTIME ! time for calculation/interpolation (hhmmss)\n\n! Local:\n INTEGER, SAVE :: PDATE = 0 ! previous date called (yyyyddd)\n INTEGER, SAVE :: PTIME = 0 ! previous time called (hhmmss)\n INTEGER :: COL ! column loop counter\n INTEGER :: ROW ! row loop counter\n\n REAL :: SINDEC ! sine of the solar declination\n REAL :: COSDEC ! cosine of the solar declination\n REAL :: JYEAR ! year\n REAL :: JDAY ! current Julian day (DDD)\n REAL :: EQUATION_OF_TIME ! equation of time\n REAL :: CURRHR ! current GMT hour\n REAL :: CURRHR_LST ! local standard time at each grid cell\n \n REAL, PARAMETER :: ONE_OVER_15 = 1.0 / 15.0\n REAL, PARAMETER :: ONE_OVER_3600 = 1.0 / 3600 \n\n IF ( FIRSTIME ) CALL INIT_PHOT_MET( JDATE, JTIME )\n\n IF ( PDATE .EQ. JDATE .AND. PTIME .EQ. JTIME ) RETURN\n \n PDATE = JDATE\n PTIME = JTIME\n \n! Compute distance to sun and set solar declination variables\n\n JDAY = FLOAT( MOD( JDATE, 1000 ) )\n JYEAR = FLOAT( JDATE / 1000 ) \n\n CURRHR = STRTHR\n & + FLOAT( SECSDIFF( STDATE, STTIME, MDATE, MTIME ) )\n & * ONE_OVER_3600\n\n CALL SOLEFM3 ( JYEAR, JDAY, EQUATION_OF_TIME, SINDEC, COSDEC, DIST_TO_SUN )\n \n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n\n!...correct CURRHR for current *positive* West longitude convention\n!...to obtain LST.\n!...this convention on longititude should be reexamined for different domains\n\n CURRHR_LST = CURRHR + LON( COL,ROW ) * ONE_OVER_15\n\n CALL GETZEN2 ( CURRHR_LST , SINLATS( COL,ROW ), COSLATS( COL,ROW ),\n & SINDEC, COSDEC, EQUATION_OF_TIME, \n & COSINE_ZENITH( COL,ROW ) )\n\n#ifdef verbose_update_sun\n if ( row .eq. 1 .and. col .eq. 1 ) then\n write(logdev,\"(a,3es12.4)\") \"PHT: JYEAR, JDSTRT, SOLDIST = \",\n & jyear, jday, dist_to_sun\n write(logdev,\"(a,7es12.4)\") \"PHT: CURRHR_LST, SINLAT, COSLAT, \" //\n & \"SINDEC, COSDEC, EQT, COSZEN = \",\n & currhr_lst , sinlats( col,row ),\n & coslats( col,row ), sindec, cosdec,\n & equation_of_time, cosine_zenith( col,row )\n end if\n#endif \n\n END DO\n END DO\n \n END SUBROUTINE UPDATE_SUN\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE SOLEFM3 ( YEAR, DAY, EQT, SINDEC, COSDEC, SOLDIST )\n\nC-----------------------------------------------------------------------\nC This subroutine calculates the sine and cosine of the solar\nC declination and the equation of time, and solar distance\nC using an approximation to equations used to generate the\nC tables in The Astronomical Almanac.\n \nC input:\nC year = year (e.g. 1998)\nC day = day of the year (e.g. Feb. 2 is 33)\nC lat = latitude in degrees (north is positive)\nC long = longitude in degrees (east is positive)\n \nC output:\nC EQT = Equation of Time\nC sindec = sine of the solar declination\nC cosdec = cosine of the solar declination\nC soldist = distance of sun in astronomical units\n\nC Revision history:\nC FSB Coded September 9, 2004 by Dr. Francis S. Binkowski\nC Environmental Modeling for Policy Development group,\nC The Carolina Environmental Program\nC The University of North Carolina-Chapel Hill\nC Email: frank_binkowski@unc.edu\n \nC REFERENCE:The code is a modification of that from\nC J.J. Michalsky, The Astronomical Almanac`s algorithm for\nC approximate solar position (1950-2050)\nC Solar Energy vol. 40, No. 3, pp 227-235, 1988.\nC who based it upon\nC The Astronomical Almanac, U.S. Gov`t. Printing Office,\nC Washington DC. Page c24 has the algorithm\n \nC The stated accuracy is 0.01 degree for the epoch ( 1950 - 2050).\nC-----------------------------------------------------------------------\n\n IMPLICIT NONE\n\n!***arugments\n\n REAL, INTENT( IN ) :: YEAR, DAY\n REAL, INTENT( OUT ) :: EQT, SINDEC, COSDEC, SOLDIST\n\n!***include files\n\n INCLUDE SUBST_CONST ! physical constants\n\n!***parameters\n\n! from SUBST_CONST: REAL, PARAMETER :: PI = 3.1415927\n REAL, PARAMETER :: TWOPI = 2.0 * PI\n! from SUBST_CONST: REAL, PARAMETER :: PI180 = PI / 180.0\n REAL, PARAMETER :: RAD = PI180\n REAL, PARAMETER :: RADM1 = 1.0 / RAD\n\n!***FSB inline documentation defines the variables.\n\n REAL :: DELTA, LEAP, JD, TIME, L, G, LAMDA, EPSILON\n REAL :: ALPHA\n REAL :: SING, SIN2G, COSG, COS2G\n REAL(8) :: NUM, DEN\n\n!***start code\n!***get current julian date, jd\n!*** the offset year of 1949 is for convenience of having all\n!*** positive numbers for the epoch (1950 - 2050)\n\n DELTA = YEAR - 1949.0\n LEAP = AINT( DELTA / 4.0 )\n\n!***jd = 32916.5 + 365.0 * delta + leap + hour / 24.0\n!***set hour = 12.0 and 12.0 / 24.0 -> 0.5\n\n JD = 2432916.5 + 365.0 * DELTA + LEAP + DAY + 0.5\n\n!***first number is jd for midnight 0 Jan 1949\n!*** leap is leap days since 1949.\n\n!*** calculate ecliptic conditions:\n\n TIME = JD - 2451545.0 ! 51545.0 is noon Jan 1, 2000\n\n!***calculate mean solar longitude (L)\n\n L = 280.460 + 0.985674 * TIME ! mean solar longitude\n\n!***now force L to be between 0.0 and 360. degrees\n\n L = MODULO( L, 360.0 )\n IF ( L .lt. 0.0 ) L = L + 360.0\n\n!***calculate mean anomaly (g) in radians between 0 and twopi\n\n G = 357.528 + 0.9856003 * TIME\n G = MODULO( G, 360.0 )\n IF ( G .LT. 0.0 ) G = G + 360.0\n\n G = RAD * G ! in radians now\n\n!***calculate trig functions of g using identities\n!*** this speeds up the calculations\n\n SING = SIN( G )\n COSG = COS( G )\n SIN2G = 2.0 * SING * COSG\n COS2G = COSG * COSG - SING * SING\n\n!***calculate ecliptic longitude ( Lamda) and\n!*** obliquity (epsilon) of ecliptic in radians\n\n LAMDA = L + 1.915 * SING + 0.020 * SIN2G\n LAMDA = MODULO( LAMDA, 360.0 )\n IF ( LAMDA .LT. 0.0 ) LAMDA = LAMDA + 360.0\n\n!***calculate obliquity (epsilon)\n\n EPSILON = 23.429 - 4.0E-7 * TIME\n LAMDA = RAD * LAMDA ! in radians\n EPSILON = RAD * EPSILON ! in radians\n\n!***now calculate right ascension (Alpha) Use this method to get the\n!*** correct quadrant.\n\n NUM = REAL( COS( EPSILON ) * SIN( LAMDA ), 8 ) ! numerator\n DEN = REAL( COS( LAMDA ), 8 ) ! denominator\n ALPHA = REAL( ATAN( NUM / DEN ), 4)\n\n!***force right ascension to be between 0 and twopi\n\n IF ( DEN .LT. 0.0D0 ) THEN\n ALPHA = ALPHA + PI\n ELSE IF ( NUM .LT. 0.0D0 ) THEN\n ALPHA = ALPHA + TWOPI\n END IF\n\n!***Alpha = atan2(num,den)\n!*** Alpha = MOD(Alpha, 360.0)\n!*** IF ( Alpha .lt. 0.0) Alpha = Alpha + 360.0\n\n ALPHA = RADM1 * ALPHA ! Alpha now in degrees\n\n!***calculate the sine of the declination\n!*** (sindec) cosine of the declination (cosdec)\n\n SINDEC = SIN( EPSILON ) * SIN( LAMDA )\n COSDEC = SQRT( 1.0 - SINDEC * SINDEC )\n\n!***calculate the Equation of Time( EQT) in degrees.\n\n EQT = L - ALPHA\n IF ( EQT .GT. 350.0 ) EQT = EQT - 360.0 ! catch a problem\n\n!***calculate solar distance\n\n SOLDIST = 1.00014 - 0.01671 * COSG - 0.00014 * COS2G\n\n RETURN\n END SUBROUTINE SOLEFM3\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE GETZEN2 ( TIME, SINLAT, COSLAT, SINDEC, COSDEC, EQT,\n & COSZEN )\nC-----------------------------------------------------------------------\nC calculate the zenith angle information at the present time step\n \nC input:\nC time = LST in decimal hours < REAL for code portability\nC-----------------------------------------------------------------------\n\n USE RUNTIME_VARS \n USE CSQY_DATA\n USE PHOT_MET_DATA, ONLY: CFRAC_2D_AVE => CFRAC_2D\n\n IMPLICIT NONE\n\n!***include files\n\n INCLUDE SUBST_CONST ! physical constants\n\n!***parameters\n\n REAL, PARAMETER :: SMALL = 1.0E-36 ! a small number\n\n!***Fundamental Constants: ( Source: CRC76, pp 1-1 to 1-6)\n\n REAL, PARAMETER :: PLANCK_C = 6.62606876E-34 ! Planck's Constant [Js]\n REAL, PARAMETER :: LIGHT_SPEED = 299792458.0 ! speed of light in a vacuum\n\n REAL, PARAMETER :: DU_TO_CONC = 2.6879E16 ! factor from [DU] to [molecules/cm^2]\n REAL, PARAMETER :: CONC_TO_DU = 1.0 / DU_TO_CONC \n \n LOGICAL, PARAMETER :: ADJUST_OZONE = .FALSE. ! Flag to correct tropospheric ozone optical depth based\n ! on climatology\n\n REAL :: MIN_STRATO3_FRAC ! minimum fraction of O3 column in statosphere\n REAL :: MAX_TROPOO3_FRAC ! maximum fraction of O3 column in troposphere\n\n! REAL, PARAMETER :: MIN_STRATO3_FRAC = 0.55 ! minimum fraction of O3 column in statosphere\n ! if PTOP = 50 mb\n! REAL, PARAMETER :: MAX_TROPOO3_FRAC = 1.0 - MIN_STRATO3_FRAC ! maximum fraction of O3 column in troposphere\n\n!***LOGDEV for NEW_OPTICS and supporting routines\n \n INTEGER, SAVE :: NEW_OPTICS_LOG\n\n INTEGER, SAVE :: N_DIAG_WVL ! number of diagnostic wavelengths in PHOTDIAG3 file\n INTEGER, ALLOCATABLE, SAVE :: DIAG_WVL( : ) ! pointers to diagnostic wavelengths\n \n INTEGER :: N_TROPO_O3_TOGGLE ! number of adjustments to ozone extinction \n \n REAL, ALLOCATABLE :: RJ ( :, :, :, : ) ! average grid cell J-values (min-1)\n REAL, ALLOCATABLE :: RJ_RES ( :, :, :, : ) ! resolved cloud J-values (min-1)\n REAL, ALLOCATABLE :: RJ_SUB ( :, :, :, : ) ! subgrid cloud J-values (min-1)\n REAL, ALLOCATABLE :: ETOT_SFC_WL ( :,:,: ) ! total downward irradiance at sfc [ Watts / m**2 ]\n \n REAL, ALLOCATABLE :: BLKHCHO( : ) ! formaldehyde concentration [ molecules/cm**3 ]\n REAL, ALLOCATABLE :: BLKCO ( : ) ! CO concentration [ molecules/cm**3 ]\n REAL, ALLOCATABLE :: BLKSO2 ( : ) ! SO2 concentration [ molecules/cm**3 ]\n REAL, ALLOCATABLE :: BLKDZ ( : ) ! layer thicknesses [ m ]\n REAL, ALLOCATABLE :: GAS_EXTINCTION( :,: ) ! extinction from gases per layer [1/m]\n REAL, ALLOCATABLE :: EXTINCTION ( :,: ) ! total extinction per layer [1/m]\n REAL, ALLOCATABLE :: ACTINIC_FLUX ( :,: ) ! actinic fluxes, initially [Photons/(cm^2s)] then [Watts/m^2] \n REAL, ALLOCATABLE :: IRRADIANCE ( :,: ) ! total downward irradiance [Watts/m^2]\n REAL :: REFLECTION ! broad band reflection coefficient (diffuse) at model top \n REAL :: TRANSMISSION ! broad band transmission coefficient (diffuse) at surface\n REAL :: TRANS_DIRECT ! broad band direct transmission coefficient at surface\n REAL :: TROPO_O3_COLUMN ! ozone column density in the troposphere [Dobson Units]\n REAL :: TROPO_O3_TOGGLE ! factor correcting tropospheric ozone column \n REAL :: O3_TOGGLE_AVE ! average of nonunity factors adjusting ozone extinction \n REAL :: O3_TOGGLE_MIN ! Max of nonunity factors adjusting ozone extinction \n REAL :: COS85 ! cosine of 85 degrees\n \n ! Summary Aerosol Metrics Needed by the PM Diagnostic Module\n REAL, ALLOCATABLE, SAVE :: TAU_AERO_550( :,: ) ! total aerosol optical depth at 550 nm (Angstrom Interpolation)\n REAL, ALLOCATABLE, SAVE :: AERO_EXT_550( :,:,: ) ! aerosol extinction at 550 nm for layer [1/m]\n REAL, ALLOCATABLE, SAVE :: TAU_ABS_AERO_550( :,: ) ! sbsorption aerosol optical depth at 550 nm (Angstrom Interpolation)\n REAL, ALLOCATABLE, SAVE :: AERO_ABS_550( :,:,: ) ! aerosol absorption coeff at 550 nm for layer [1/m]\n\n LOGICAL :: ONLY_SOLVE_RAD ! only compute fluxes \n LOGICAL :: OBEY_STRATO3_MINS = .TRUE. ! Has stratospheric O3 column not violated \n ! climatological minimums, yet?\n LOGICAL :: STRATO3_MINS_MET ! Does the call to NEW_OPTICS meet the stratospheric O3 column\n ! climatological minimums?\n\n \n CHARACTER( 133 ) :: PHOT_MOD_MSG\n \n INTEGER :: PHOT_COL ! cell column of routine calling module routine\n INTEGER :: PHOT_ROW ! cell row of routine calling module routine\n\n\n CONTAINS\n \n SUBROUTINE INIT_PHOT_SHARED()\n\n USE RXNS_DATA ! chemistry variables and data\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE UTILIO_DEFN\n! Purpose: initialize data and arrays shared by other science processes \n IMPLICIT NONE\n!Arguments: None\n\n!Local: \n INTEGER :: ALLOCSTAT\n CHARACTER( 240 ) :: XMSG = ' '\n LOGICAL, SAVE :: INITIALIZED = .FALSE.\n \n IF ( INITIALIZED ) RETURN\n \n INITIALIZED = .TRUE.\n\n CALL LOAD_CSQY_DATA( )\n\n CALL LOAD_OPTICS_DATA( )\n\n ALLOCATE( RJ ( NCOLS, NROWS, NLAYS, NPHOTAB ),\n & RJ_RES ( NCOLS, NROWS, NLAYS, NPHOTAB ),\n & RJ_SUB ( NCOLS, NROWS, NLAYS, NPHOTAB ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating photolysis rate arrays'\n CALL M3EXIT ( 'INIT_PHOT_SHARED', 0, 0, XMSG, XSTAT1 )\n END IF\n\n ALLOCATE( ETOT_SFC_WL( NCOLS,NROWS,NWL ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating irradiance rate array'\n CALL M3EXIT ( 'INIT_PHOT_SHARED', 0, 0, XMSG, XSTAT1 )\n END IF\n\n RJ = 0.0; RJ_RES = 0.0; RJ_SUB = 0.0\n ETOT_SFC_WL = 0.0\n \n END SUBROUTINE INIT_PHOT_SHARED\n\nC///////////////////////////////////////////////////////////////////////\n SUBROUTINE NEW_OPTICS ( JDATE, JTIME, NLAYS, \n & BLKTA, BLKPRS, BLKDENS, BLKZH, BLKZF,\n & BLKO3, BLKNO2,\n & ZSFC, COSZEN, SINZEN, RSQD,\n & NEW_PROFILE, CLOUDS, CLDFRC,\n & BLKRJ, TAUC_AERO, TAU_TOT, TAUO3_TOP,\n & TAU_RAY, SSA_AERO, TAU_CLOUD, TOTAL_O3_COLUMN )\nC-----------------------------------------------------------------------\nC\nC FSB NOTE new call vector <<<<<<<<<<<<< **********\nC\nC FSB This version has clouds\nC FSB calculates the photolysis rates as a function of species and height\nC\nC first coded 10/19/2004 by Dr. Francis S. Binkowski\nC Carolina Environmental Program\nC University of North Carolina at Chapel Hill\nC email: frank_binkowski@unc.edu\nC modified by FSB July 29, 2005, 01/19/2006 by FSB\nC\nC Mar 2011 Bill Hutzell\nC -revised arguement to account for aerosol redesign in \nC CMAQ version 5.0\nC -change array declaration to allow flexible number of\nC wavelength bins \nC Apr 2012 Bill Hutzell\nC -revised error checking to needed photolysis data \nC -modified case statement for RACM2 photolysis rates\nC -moved aerosol optics to its own module\nC 07 Jul 14 B.Hutzell: replaced mechanism include file(s) with fortran module\nC-----------------------------------------------------------------------\n\n USE UTILIO_DEFN\n USE RXNS_DATA ! chemical mechanism data\n USE CLOUD_OPTICS ! data and routines for optics of cloud hydrometeors\n\n USE AERO_PHOTDATA\n \n IMPLICIT NONE\n\n!***arguments\n INTEGER, INTENT(IN) :: JDATE ! julian date YYYYDDD\n INTEGER, INTENT(IN) :: JTIME ! TIME HHMMSS\n INTEGER, INTENT(IN) :: NLAYS ! # of vertical layers\n \n REAL, INTENT(IN) :: BLKPRS ( : ) ! Air pressure in [ atm ]\n REAL, INTENT(IN) :: BLKTA ( : ) ! Air temperature [ K ]\n REAL, INTENT(IN) :: BLKDENS( : ) ! Air density [ molecules / cm**3 ]\n REAL, INTENT(IN) :: BLKZH ( : ) ! layer half-height [ m ]\n REAL, INTENT(IN) :: BLKZF ( : ) ! layer full height[ m ]\n REAL, INTENT(IN) :: BLKO3 ( : ) ! O3 concentration [ molecules / cm**3 ]\n REAL, INTENT(IN) :: BLKNO2 ( : ) ! NO2 concentration [ molecules / cm**3 ]\n REAL, INTENT(IN) :: ZSFC ! surface height (msl) [ m ]\n REAL, INTENT(IN) :: COSZEN, SINZEN ! sine and cosine of the zenith angle\n REAL, INTENT(IN) :: RSQD ! square of solar distance [ au**2 ]\n\n LOGICAL, INTENT(IN) :: NEW_PROFILE ! Has the atmospheric profile changed since last call?\n LOGICAL, INTENT(IN) :: CLOUDS( : ) ! Does layer have clouds\n REAL, INTENT(IN) :: CLDFRC( : ) ! fraction of gridcell covered by cloud\n \n\n REAL, INTENT(OUT) :: BLKRJ( :,: ) ! photolysis rates [ 1 / sec ]\n\n REAL, INTENT(OUT) :: TAUC_AERO( :,: ) ! aerosol optical depth, bottom of layer\n REAL, INTENT(OUT) :: TAU_TOT ( :,: ) ! total optical depth, bottom of layer\n REAL, INTENT(OUT) :: TAU_CLOUD( :,: ) ! cloud optical depth, bottom of layer\n\n REAL, INTENT(INOUT) :: TAUO3_TOP( : ) ! optical depth of ozone above model domain\n REAL, INTENT(INOUT) :: TAU_RAY ( : ) ! Rayleigh optical depth above model domain\n REAL, INTENT(OUT) :: SSA_AERO ( : ) ! single scatering albedo for aerosol column\n \n REAL, INTENT(INOUT) :: TOTAL_O3_COLUMN ! total ozone colum density [ DU ]\n\n!***internal\n REAL, PARAMETER :: ONE_OVER_PI = 1.0 / PI \n REAL, PARAMETER :: STRAT_TEMP = 225.0 ! stratospheric temperature\n REAL, PARAMETER :: ZTOA = 50.0E3 ! top of the atmosphere [ m ]\n\n INTEGER L, I, IWL, II, ILEV, IPHOT, MODE ! loop indices\n\n INTEGER NLEVEL\n REAL SOLAR_FLUX ! solar flux at atmosphere top in a wavelength band, [photons/(cm^2*s)]\n REAL INSOLATION ! downward solar flux at atmosphere top summed over wavelength bands, [photons/(cm^2*s)]\n\n REAL DELTA_O3_COLUMN ! change in ozone column density [molecules/cm2]\n REAL STRAT_O3_COLUMN ! ozone column density in the stratosphere [molecules/cm2]\n REAL STRAT_O3_COLMIN ! ozone minium column density in the stratosphere [molecules/cm2]\n REAL TAU_O3 ! optical depth of stratospheric ozone [ m ]\n REAL DENSTOM ! estimated air density at top of model [ molecules / cm**3 ]\n REAL LAMDA ! wavelength [ nm ]\n REAL INV_LAMBDA ! reciprocal of wavelength [ 1/nm ]\n REAL LAMDA_UM ! wavelength [ um ]\n\n!***working absorption cross sections [ cm**2 ]. These have been corrected\n!*** for ambient ( pressure and temperature ) conditions.\n\n REAL AO3\n REAL ANO2\n REAL BETA_M ! molecular scattering coefficient [ 1/m ]\n REAL BEXT ! total aerosol extinction coefficient [ 1/m ]\n REAL VFAC, BSC ! unit correction factors\n REAL BSCAT ! total aerosol scattering coefficient [ 1/m ]\n REAL G_BAR ! total aerosol asymmetry factor\n\n!***FSB The following variable is aq switch that allows a fast version of\n!*** aerosol optics to be used when set to .TRUE.\n\n!***scattering and absorption for the layer\n\n REAL DTABS_A, DTABS_M, DTSCAT_A, DTSCAT_M, DTSCAT, DTABS\n\n!***variables describing the layer heights and slants\n! REAL DJ, DF\n REAL ZTOM ! top of model [ m ]\n REAL, ALLOCATABLE, SAVE :: DSDH_TD( : ) ! slant path function from top down\n REAL, ALLOCATABLE, SAVE :: DSDH( : ) ! slant path function\n REAL, SAVE :: DSDH_TOP ! slantpath function from ZTOM to ZTOA\n\n!***Increment of optical depth\n\n REAL, ALLOCATABLE, SAVE :: DTAU ( : ) ! total depth at level\n REAL, ALLOCATABLE, SAVE :: DT_AERO ( : ) ! aerosol contribution at level\n REAL, ALLOCATABLE, SAVE :: DT_CLOUD( : ) ! cloud contribution at level\n\n!***single scattering albedo for layer\n\n REAL, ALLOCATABLE, SAVE :: OM( : )\n\n!***asymmetry factor\n\n REAL, ALLOCATABLE, SAVE :: G( : )\n\n!***arrays for fluxes and irradiances used in\n\n!***delta-Eddington code\n\n REAL, ALLOCATABLE, SAVE :: FDIR( : ) ! direct actinic flux\n REAL, ALLOCATABLE, SAVE :: FUP ( : ) ! diffuse upward actinic flux\n REAL, ALLOCATABLE, SAVE :: FDN ( : ) ! diffuse downward flux\n REAL, ALLOCATABLE, SAVE :: EDIR( : ) ! direct irradiance\n REAL, ALLOCATABLE, SAVE :: EUP ( : ) ! diffuse upward irradiance\n REAL, ALLOCATABLE, SAVE :: EDN ( : ) ! diffuse downward irradiance\n\n!***surface albedo\n\n REAL RSFC\n\n REAL FX\n REAL, ALLOCATABLE, SAVE :: ESUM( : ) ! total downward irradiance\n REAL, ALLOCATABLE, SAVE :: FSUM( : ) ! total actinic flux\n\n!***needed for stratospheric Raleigh optical depth\n REAL, PARAMETER :: R_G = 100.0 * RDGAS / GRAV ! dry air gas constant\n ! divided by gravitational\n ! acceleration [cm/K] NOTE: cgs units\n\n REAL HSCALE ! Scale height [cm] ! NOTE: cgs units\n\n REAL NBAR ! total number of air molecules [ # /cm**2 ]\n ! above top of model domain\n\n\n!***FSB Cloud properties.\n!*** FSB These properties are taken fro HU & Stamnes,1993,\n!*** An accurate parameterizationof the radiative properties of\n!*** water clouds suitable for use in climate models, Journal of\n!*** Climate, vol. 6, pp. 728-742. The values in the data statements\n!*** were calculated with an equivalent radius of 10 micrometers.\n!*** Note: Hu &Stamnes give beta in [ 1 / km/ for LWC in [ g / m**3 ]\n!*** the values for beta/ LWC also give beta in [1/m] with LWC in [g/m **3]\n\n REAL G_CLOUD ! local cloud asymmetry factor\n REAL OM_CLOUD ! local cloud single scattering albedo\n REAL DTSCAT_CLOUD ! level increment in cloud scattering optical\n REAL TAU_SCAT_CLD ! total scattering optical depth of cloud\n REAL LAYERING_FACTOR ! correction factor for cloud layering\n REAL STOZONE\n\n LOGICAL, SAVE :: FIRST = .TRUE. ! Flag for first call\n LOGICAL :: SUCCESS\n\n!***arrays for fluxes and irradiances used in\n REAL, ALLOCATABLE, SAVE :: SRAYL( : ) ! Molecular scattering cross sections [ cm ** 2]\n REAL, ALLOCATABLE, SAVE :: TAU_SCAT( : ) ! aerosol scattering optical depth\n REAL, ALLOCATABLE, SAVE :: CONV_WM2( : ) ! conversion factor [photons/(cm**2 s )] to [Watts/m**2]\n\n!***three-dimensional array for Cs and Qy\n!*** (temperature, wavelength, species)\n!***(layer, wavelength species)\n\n REAL, ALLOCATABLE, SAVE :: CSZ( :,:,: )\n REAL, ALLOCATABLE, SAVE :: QYZ( :,:,: )\n\n IF ( FIRST ) THEN\n\n ALLOCATE( CONV_WM2( NWL ) )\n ALLOCATE( SRAYL ( NWL ) )\n ALLOCATE( TAU_SCAT( NWL ) )\n ALLOCATE( CSZ( NLAYS,NWL,NPHOTAB ) )\n ALLOCATE( QYZ( NLAYS,NWL,NPHOTAB ) )\n \n ALLOCATE( GAS_EXTINCTION( NLAYS,NWL ) )\n ALLOCATE( EXTINCTION ( NLAYS,NWL ) )\n ALLOCATE( ACTINIC_FLUX ( NLAYS,NWL ) )\n ALLOCATE( IRRADIANCE ( NLAYS,NWL ) )\n \n ALLOCATE( DSDH_TD ( NLAYS+1 ),\n & DSDH ( NLAYS ),\n & DTAU ( NLAYS+1 ),\n & DT_AERO ( NLAYS+1 ),\n & DT_CLOUD( NLAYS+1 ),\n & OM ( NLAYS+1 ),\n & G ( NLAYS+1 ),\n & FDIR ( NLAYS+1 ),\n & FUP ( NLAYS+1 ),\n & FDN ( NLAYS+1 ),\n & EDIR ( NLAYS+1 ),\n & EUP ( NLAYS+1 ),\n & EDN ( NLAYS+1 ),\n & ESUM ( NLAYS ),\n & FSUM ( NLAYS ) )\n\n!***FSB Set up conversion factor for\n!*** [photons / ( cm**2 s) ] to [Watts / m**2 ]\n!*** THE 1.0E13 FACTO IS 1.0E9 * 1.0 E4\n!*** The 1.0e9 is for the wavelength [ nm ] -> [ m ]\n!*** The 1.0e4 is for the area [ cm **2 ] -> [ m**2 ]\n\n DO IWL = 1, NWL\n LAMDA = WAVELENGTH( IWL )\n CONV_WM2( IWL ) = 1.0E13 * ( PLANCK_C * LIGHT_SPEED ) / LAMDA\n END DO\n\n! COS85 = COS( 85.0 * PI180 )\n\n!***get molecular scattering cross sections\n\n CALL GETSRAY ( NWL, WAVELENGTH, SRAYL )\n\n FIRST = .FALSE.\n\n END IF ! FIRSTIME\n\n!***initialize BLKRJ and other layer variables\n\n BLKRJ = 0.0\n GAS_EXTINCTION = 0.0\n EXTINCTION = 0.0\n ACTINIC_FLUX = 0.0\n IRRADIANCE = 0.0\n REFLECTION = 0.0\n TRANSMISSION = 0.0\n TRANS_DIRECT = 0.0\n INSOLATION = 0.0\n TROPO_O3_TOGGLE = 1.0\n STRATO3_MINS_MET = .TRUE.\n!***Initialize sums or set default values for outputs: \n! TAUC_AERO, TAU_TOT, TAUO3_TOP, TAU_RAY, SSA_AERO, etc.\n\n TAUC_AERO = 0.0\n TAU_TOT = 0.0\n TAU_CLOUD = 0.0\n TAU_SCAT = 0.0\n SSA_AERO = 0.0\n TOTAL_TAU_CLD = 0.0\n#ifdef phot_debug \n AVE_SSA_CLD = 0.0\n AVE_ASYMM_CLD = 0.0\n#endif\n!***Test zenith angle. If coszen is zero or negative, zenith angle is\n!*** equal to or greater than 90 degrees, i.e. before sunrise or\n!*** after sunset at the surface.\n!*** Return all photolysis rates set to zero. Ignore possible twilight\n!*** processes in upper troposphere.\n\n!***FSB NOTE: tests of the algorithm for slant path show that the\n!*** critical zenith angle for the tropospheric slant path is 88 degrees,\n!*** but the critical zenith angle for the stratospheric slant path is\n!*** 85 degrees. Thus, the code returns zeros for angles greater then or\n!*** equalt to 85 degrees. cos( 85 degrees ) equals 8.715574e-02.\n\n IF ( COSZEN .LE. COS85 ) THEN\n TAUO3_TOP = 0.0\n TAU_RAY = 0.0\n TROPO_O3_COLUMN = 0.0\n TROPO_O3_TOGGLE = 1.0\n! BLKDZ = 0.0\n CALL SLANTPATH2 ( NLAYS, BLKZF, ZSFC, REARTH, SINZEN, BLKDZ, DSDH )\n RETURN\n END IF\n\n IF ( NEW_PROFILE ) THEN ! update based on new temperature and density profile\n!***Adjust cross sections and quantum yields for ambient conditions\n\n CALL GET_CSQY ( BLKTA, BLKDENS, CSZ, QYZ )\n\n!***calculate scale height from top of model domain\n\n HSCALE = R_G * BLKTA( NLAYS )\n\n!***estimate air density at top of model domain\n\n DENSTOM = BLKDENS( NLAYS )\n & * EXP( -100.0 * ( BLKZF( NLAYS + 1 ) - BLKZH( NLAYS ) )\n & / HSCALE )\n\n!***calculate the total number of air molecules [ # / cm**2 ]\n!*** above top of model domain.\n\n NBAR = HSCALE * DENSTOM\n\n!***set top of modeling domain\n\n ZTOM = BLKZF( NLAYS + 1 )\n\n!***get layer thicknesses and slantpath starting at the TOP\n\n! BLKDZ = 0.0\n CALL SLANTPATH2 ( NLAYS, BLKZF, ZSFC, REARTH, SINZEN, BLKDZ, DSDH )\n\n!***get slantpath from ZTOM to ZTOA\n\n CALL SLANTPATHTOP ( ZTOM, ZTOA, ZSFC, REARTH, SINZEN, DSDH_TOP )\n\nC*** find ozone column density for atmosphere, stratosphere, and troposphere\n STRAT_O3_COLUMN = DU_TO_CONC * REAL( TOTAL_O3_COLUMN )\n! STRAT_O3_COLMIN = 0.10 * STRAT_O3_COLUMN\n STRAT_O3_COLMIN = MIN_STRATO3_FRAC * STRAT_O3_COLUMN\n SUCCESS = .TRUE.\n TROPO_O3_COLUMN = 0.0\n DO L = NLAYS, 1, -1\n DELTA_O3_COLUMN = 100.0 * BLKO3( L ) * BLKDZ( L )\n STRAT_O3_COLUMN = STRAT_O3_COLUMN - DELTA_O3_COLUMN\n TROPO_O3_COLUMN = TROPO_O3_COLUMN + DELTA_O3_COLUMN\n IF ( STRAT_O3_COLUMN .LT. STRAT_O3_COLMIN .AND. SUCCESS ) THEN\n IF( OBEY_STRATO3_MINS )THEN\n WRITE( LOGDEV,'( /A, F5.2, A, 3(/A), I3, A, F8.3, A , 2(I4,1X) )' )\n & 'PHOT WARNING: First Occurance where computed stratospheric O3 column < ',\n & 100.0*MIN_STRATO3_FRAC,'%',\n & 'observed total column. The percentage is a global minimum based on ',\n & 'climatological ozone profiles. ',\n & 'The Error accumulates downward from layer = ', L, ' or alt= ', \n & 0.001*BLKZF( L ),' Km for col,row = ', PHOT_COL, PHOT_ROW\n END IF\n SUCCESS = .FALSE.\n END IF\n END DO\n\n STRAT_O3_COLUMN = CONC_TO_DU * STRAT_O3_COLUMN\n TROPO_O3_COLUMN = CONC_TO_DU * TROPO_O3_COLUMN\n\n#ifdef verbose_PHOT_MOD\n IF( PHOT_COL .EQ. 1 .AND. PHOT_ROW .EQ. 1 )THEN\n WRITE( LOGDEV,*)'TOTAL_O3_COLUMN, TROPO_O3_COLUMN = ',TOTAL_O3_COLUMN, TROPO_O3_COLUMN\n END IF\n#endif\n\n IF ( .NOT. SUCCESS ) THEN\n TROPO_O3_TOGGLE = MAX_TROPOO3_FRAC * TOTAL_O3_COLUMN\n & / TROPO_O3_COLUMN\n N_TROPO_O3_TOGGLE = N_TROPO_O3_TOGGLE + 1 \n O3_TOGGLE_AVE = O3_TOGGLE_AVE + TROPO_O3_TOGGLE\n O3_TOGGLE_MIN = MIN( O3_TOGGLE_MIN, TROPO_O3_TOGGLE)\n STRATO3_MINS_MET = .FALSE. \n STRAT_O3_COLUMN = CONC_TO_DU * STRAT_O3_COLMIN\n IF( OBEY_STRATO3_MINS )THEN ! write to PE log for first occurance\n WRITE( LOGDEV, 99983)STRAT_O3_COLUMN\n IF( ADJUST_OZONE ) WRITE( LOGDEV, 99984)TROPO_O3_TOGGLE\n WRITE( LOGDEV, 99887)\n WRITE( LOGDEV, 99888)TOTAL_O3_COLUMN, TROPO_O3_COLUMN, MAX_TROPOO3_FRAC\n WRITE( LOGDEV, 99999)\n OBEY_STRATO3_MINS = .FALSE.\n END IF\n IF( .NOT. ADJUST_OZONE ) TROPO_O3_TOGGLE = 1.0 ! reset toggle to one \n ELSE\n TROPO_O3_TOGGLE = 1.0\n END IF\n\n\n99983 FORMAT( 'Corrective Action: 1) Stratospheric O3 column set to ',F8.3,' DU' ) \n99984 FORMAT( 'and 2) Extinction from Model Domain O3 multiplied by ',F9.6 )\n99887 FORMAT(/'Check TROPO_O3_EXCEED and N_EXCEED_TROPO3 in PHOTDIAG1 file for '\n & /'values greater than zero to assess the extent of the '\n & /'problem. TROPO_O3_EXCEED and N_EXCEED_TROPO3 are the average '\n & /'exceedance and their number over file time step for each grid cell,'\n & /'respectively. Exceedance depends on the predicted tropospheric'\n & /'fraction over the maximum allowed fraction of the total ozone column.'\n & /'Its value equals the ratio minus one if ratio is greater than one and'\n & /'zero if the ratio is less than or equal to one. N_EXCEED_TROPO3 '\n & /'counts the number of nonzero values per timestep')\n99888 FORMAT(/'Direct Cause: Predicted O3 tropospheric Column exceeds maximum allowed '\n & /'fraction of total OMI column.',\n & /'OMI Total O3 Column = ',F8.3,' DU: Model Tropospheric O3 Column = ',F8.3,' DU',\n & /'Climatological Expected Tropospheric Fraction = ',F9.6)\n99999 FORMAT(/'ULTIMATE causes include boundary condition and meteorological input files. '\n & /'Check the former for unrealistic concentrations of ozone and its precursors.'\n & /'Check the latter for unrealistic advection and diffusion parameters.') \n \n DO IWL = 1, NWL\n!***Get optical depth for stratospheric ozone column\n!***Note that stratosphere ozone coluumn assumed to exist above model domain\n CALL GET_TAUO3 ( IWL, STRAT_O3_COLUMN, STRAT_TEMP, TAUO3_TOP( IWL ) )\n!***get Rayleigh optical depth for stratosphere\n TAU_RAY( IWL ) = NBAR * SRAYL( IWL ) \n END DO\n END IF ! for NEW_PROFILE\n\n!***loop over wavelengths\n DO IWL = 1, NWL ! outermost loop\n\n! RSFC = ALB( IWL ) ! surface albedo\n\n!***set scaling factor for reducing extraterrestrial flux\n!*** add ozone and Rayleigh optical depths. Use the\n!*** pseudospherical correction for the stratosphere.\n\n SOLAR_FLUX = FEXT( IWL ) / RSQD\n\n!*** initialize tau, delta tau's, other variables and loop over layers\n\n DTAU = 0.0\n DT_AERO = 0.0\n DT_CLOUD = 0.0\n DTSCAT_CLOUD = 0.0\n TAU_SCAT_CLD = 0.0\n \n DO L = 2, NLAYS + 1\n II = NLAYS + 2 - L ! from top to bottom\n\n!***in the following statements the factor of 100.0 converts\n!*** converts [ 1 / cm ] to [ 1 / m ]\n\n BETA_M = SRAYL( IWL ) * BLKDENS( II ) * 100.0\n AO3 = CSZ( II,IWL,LO3O3P ) * BLKO3 ( II ) * 100.0\n AO3 = TROPO_O3_TOGGLE * AO3\n ANO2 = CSZ( II,IWL,LNO2 ) * BLKNO2 ( II ) * 100.0\n\n!***set up aerosol optical properties\n\n G_BAR = AERO_ASYM_FAC ( II,IWL )\n BEXT = AERO_EXTI_COEF( II,IWL )\n BSCAT = AERO_SCAT_COEF( II,IWL )\n\n!***calculate total absorption and scattering contributions\n!***to optical depth\n\n!***The contributions to scattering and absorption from molecules and particles\n!*** are calculated separately to facilitate the calculation\n!*** of the total single scatering albedo of the column of aerosols\n!*** as measured by satellites.\n\n DTSCAT_M = BETA_M * BLKDZ( II ) ! molecular scattering\n DTSCAT_A = BSCAT * BLKDZ( II ) ! particle scattering\n\n DTSCAT_M = MAX( DTSCAT_M, SMALL )\n DTSCAT_A = MAX( DTSCAT_A, SMALL )\n\n\n DTABS_M = ( AO3 + ANO2 ) * BLKDZ( II ) ! molecular absorption\n DTABS_A = ( BEXT - BSCAT ) * BLKDZ( II ) ! particle absorption\n\n DTABS_M = MAX( DTABS_M, SMALL )\n DTABS_A = MAX( DTABS_A, SMALL )\n\n GAS_EXTINCTION( II,IWL ) = BETA_M + AO3 + ANO2 ! gas extinction\n EXTINCTION( II,IWL ) = BETA_M + BEXT + AO3 + ANO2 ! gas and aerosol extinction\n \n IF ( CLOUDS( II ) ) THEN \n \n DT_CLOUD( L ) = ( CLOUD_LIQUID_EXT( II,IWL ) \n & + CLOUD_ICE_EXT( II,IWL )\n & + CLOUD_AGGREG_EXT( II,IWL ) ) * BLKDZ( II )\n DTSCAT_CLOUD = ( CLOUD_LIQUID_SCAT( II,IWL )\n & + CLOUD_ICE_SCAT( II,IWL )\n & + CLOUD_AGGREG_SCAT( II,IWL ) ) * BLKDZ( II )\n\n!Adjust DT_CLOUD for cloud fraction by 1/2 power of CLDFRC to approximate cloud overlap.\n!Note that the power results because the resolved cloud conentrations are averaged over\n!the grid cell so the net overlap correction equal cfrac**(3/2) from Briegleb (1992) times\n!cfrac**(-1) for actual in-cloud concentrations (see Voulgarakis et al., 2009, Geosci Model\n!Dev., vol. 2, pp. 59-72.\n\n IF ( CLOUD_LAYERING( II ) ) THEN\n LAYERING_FACTOR = SQRT( CLDFRC( II ) )\n ELSE\n LAYERING_FACTOR = CLDFRC( II )\n END IF\n DT_CLOUD( L ) = DT_CLOUD( L ) * LAYERING_FACTOR\n DTSCAT_CLOUD = DTSCAT_CLOUD * LAYERING_FACTOR\n \n EXTINCTION( II,IWL ) = EXTINCTION( II,IWL )\n & + ( CLOUD_LIQUID_EXT( II,IWL ) \n & + CLOUD_ICE_EXT( II,IWL )\n & + CLOUD_AGGREG_EXT( II,IWL ) ) * LAYERING_FACTOR\n \n TAU_SCAT_CLD = TAU_SCAT_CLD + DTSCAT_CLOUD\n\n IF ( DT_CLOUD( L ) .GT. 1.0E-6 ) THEN\n OM_CLOUD = MAX( 0.000001, MIN( DTSCAT_CLOUD /DT_CLOUD( L ), 0.99999) )\n IF ( OM_CLOUD .LT. 0.0 .OR. OM_CLOUD .GT. 1.0 .OR. OM_CLOUD .NE. OM_CLOUD) THEN\n WRITE( LOGDEV,'(A,I3,A,ES12.4,A)',ADVANCE = 'NO')\n & 'OM_CLOUD( L = ', L, ' ) = ', OM_CLOUD,' resetting to '\n OM_CLOUD = MAX( 0.000001, MIN( OM_CLOUD, 0.99999))\n WRITE( LOGDEV,'(ES12.4)')OM_CLOUD\n WRITE( LOGDEV,'(A,2(ES12.4,1X))')'DT_CLOUD, DTSCAT_CLOUD = ',\n & DT_CLOUD, DTSCAT_CLOUD\n WRITE( LOGDEV,'(A,2(ES12.4,1X))')'LIQUID_EXT, LIQUID_SCAT = ',\n & CLOUD_LIQUID_EXT( II,IWL ), CLOUD_LIQUID_SCAT( II,IWL )\n WRITE( LOGDEV,'(A,2(ES12.4,1X))')'ICE_EXT, ICE_SCAT = ',\n & CLOUD_ICE_EXT( II,IWL ), CLOUD_ICE_SCAT( II,IWL )\n WRITE( LOGDEV,'(A,2(ES12.4,1X))')'AGGREG_EXT, AGGREG_SCAT = ',\n & CLOUD_AGGREG_EXT( II,IWL ), CLOUD_AGGREG_SCAT( II,IWL )\n CALL M3EXIT( 'NEW_OPTICS', JDATE, JTIME, ' ', XSTAT1 )\n END IF\n ELSE \n OM_CLOUD = 1.0\n END IF\n\n\n IF ( DTSCAT_CLOUD .GT. 1.0E-6 ) THEN\n \n G_CLOUD = ( (CLOUD_LIQUID_ASY( II,IWL ) * CLOUD_LIQUID_SCAT( II,IWL ))\n & + (CLOUD_ICE_ASY( II,IWL ) * CLOUD_ICE_SCAT( II,IWL ))\n & + (CLOUD_AGGREG_ASY( II,IWL ) * CLOUD_AGGREG_SCAT( II,IWL )) )\n & * BLKDZ( II ) * LAYERING_FACTOR\n\n\n#ifdef phot_debug\n IF ( .NOT. ONLY_SOLVE_RAD ) THEN\n AVE_ASYMM_CLD( IWL ) = AVE_ASYMM_CLD( IWL ) + G_CLOUD\n IF ( AVE_ASYMM_CLD( IWL ) .GT. TAU_SCAT_CLD ) THEN\n WRITE( LOGDEV,'(A,I3,2(A,ES12.4))' )\n & 'Sum for AVE_ASYMM_CLD at L (', L,') = ', AVE_ASYMM_CLD( IWL ),\n & ' Sum for TAU_SCAT_CLD = ',TAU_SCAT_CLD \n WRITE( LOGDEV,'(A,2(ES12.4,1X))' )\n & 'AVE_ASYMM_CLD Increment = ', G_CLOUD\n WRITE( LOGDEV,'(A,2(ES12.4,1X))' )\n & 'TAU_SCAT_CLD Increment = ', DTSCAT_CLOUD\n END IF\n END IF\n#endif \n\n G_CLOUD = G_CLOUD / DTSCAT_CLOUD\n\n IF ( G_CLOUD .GE. 1.0 .OR. G_CLOUD .LE. -1.0 .OR. G_CLOUD .NE. G_CLOUD ) THEN\n WRITE( LOGDEV,'(A,I3,A,ES12.4,A)',ADVANCE = 'NO' )\n & 'G_CLOUD( L = ', L, ' ) = ', G_CLOUD,' resetting to '\n G_CLOUD = MIN( 0.9999, MAX( G_CLOUD, -0.9999) )\n WRITE( LOGDEV,'(ES12.4)') G_CLOUD\n WRITE( LOGDEV,'(A,2(ES12.4,1X))' )\n & 'LIQUID_ASY, LIQUID_SCAT = ',\n & CLOUD_LIQUID_ASY( II,IWL ), CLOUD_LIQUID_SCAT( II,IWL )\n WRITE( LOGDEV,'(A,2(ES12.4,1X))' )\n & 'ICE_ASY, ICE_SCAT = ',\n & CLOUD_ICE_ASY( II,IWL ), CLOUD_ICE_SCAT( II,IWL )\n WRITE( LOGDEV,'(A,2(ES12.4,1X))' )\n & 'AGGREG_ASY, AGGREG_SCAT = ',\n & CLOUD_AGGREG_ASY( II,IWL ), CLOUD_AGGREG_SCAT( II,IWL )\n CALL M3EXIT( 'NEW_OPTICS', JDATE, JTIME, ' ', XSTAT1 )\n END IF\n ELSE\n G_CLOUD = 0.0\n END IF \n ELSE\n DTSCAT_CLOUD = 0.0\n G_CLOUD = 0.0\n OM_CLOUD = 1.0\n END IF\n\n!***calculate total absorption and scattering contributions\n!***to optical depth\n\n DTSCAT = DTSCAT_M + DTSCAT_A + DTSCAT_CLOUD\n DTABS = DTABS_M + DTABS_A + MAX(( 1.0 - OM_CLOUD ), 0.0) * DT_CLOUD( L )\n\n!***set aerosol optical depth for later use\n\n DT_AERO ( L ) = BEXT * BLKDZ( II )\n\n!***Now calculate the vertical profiles of optical depth,\n!*** single scattering albedo, asymmetry factor\n!*** and DSDH starting at the top.\n\n DTAU( L ) = DTSCAT + DTABS\n OM ( L ) = DTSCAT / ( DTSCAT + DTABS )\n G ( L ) = ( G_BAR * DTSCAT_A + G_CLOUD * DTSCAT_CLOUD ) / DTSCAT\n\n IF ( G( L ) .GE. 1.0 .OR. G( L ) .LE. -1.0 .OR. G( L ) .NE. G( L ) ) THEN\n WRITE( LOGDEV,'(A,ES12.4,A)',ADVANCE = 'NO' )\n & 'G( L ) = ', G( L ),' resetting to '\n G( L ) = MIN( 0.9999, MAX( G( L ), -0.9999) )\n WRITE( LOGDEV,'(ES12.4)')G( L )\n WRITE( LOGDEV,'(A,10(1X,ES12.4))' )\n & 'DTSCAT_M, DTSCAT_A, DTSCAT_CLOUD, G_BAR, G_CLOUD = ',\n & DTSCAT_M, DTSCAT_A, DTSCAT_CLOUD, G_BAR, G_CLOUD\n END IF\n\n IF ( OM( L ) .GT. 1.0 .OR. OM( L ) .LE. 0.0 .OR. OM( L ) .NE. OM( L ) ) THEN\n WRITE( LOGDEV,'(A,ES12.4,A)',ADVANCE = 'NO' )\n & 'OM( L ) = ', OM( L ),' resetting to '\n OM( L ) = MIN( 0.9999, MAX( OM( L ), 0.0001) )\n#ifdef phot_debug\n WRITE( LOGDEV,'(ES12.4)' ) OM( L )\n WRITE( LOGDEV,'(A,4(1X,ES12.4))' )\n & 'DTSCAT, DTABS, ( DTSCAT + DTABS) = ',\n & DTSCAT, DTABS, ( DTSCAT + DTABS )\n WRITE( LOGDEV,'(A,4(1X,ES12.4))' )\n & 'DTSCAT_M, DTSCAT_A, DTSCAT_CLOUD = ',\n & DTSCAT_M, DTSCAT_A, DTSCAT_CLOUD\n WRITE( LOGDEV,'(A,4(1X,ES12.4))' )\n & 'DDTABS_M, DTABS_A, MAX(( 1.0-OM_CLOUD ), 0.0) * DT_CLOUD( L ) = ',\n & DTABS_M, DTABS_A, MAX(( 1.0 - OM_CLOUD ), 0.0) * DT_CLOUD( L )\n WRITE( LOGDEV,'(A,4(1X,ES12.4))' )\n & ' AO3, ANO2,AERO_BEXT, AERO_BSCAT = ',\n & AO3, ANO2,BEXT, BSCAT\n#endif\n ELSE\n#ifdef phot_debug\n IF ( OM( L ) .EQ. 1.0 ) THEN\n WRITE( LOGDEV,'(A,4(1X,ES12.4))' )\n & 'DTSCAT, DTABS, ( DTSCAT + DTABS ) = ',\n & DTSCAT, DTABS, (DTSCAT + DTABS)\n WRITE( LOGDEV,'(A,4(1X,ES12.4))' )\n & 'DTSCAT_M, DTSCAT_A, DTSCAT_CLOUD = ',\n & DTSCAT_M, DTSCAT_A, DTSCAT_CLOUD\n WRITE( LOGDEV,'(A,4(1X,ES12.4))' )\n & 'DDTABS_M, DTABS_A, MAX(( 1.0-OM_CLOUD ), 0.0) * DT_CLOUD( L ) = ',\n & DTABS_M, DTABS_A, MAX(( 1.0 - OM_CLOUD ), 0.0 ) * DT_CLOUD( L)\n WRITE( LOGDEV,'(A,4(1X,ES12.4))' )\n & 'AO3, ANO2,AERO_BEXT, AERO_BSCAT = ',\n & AO3, ANO2,BEXT, BSCAT\n END IF\n#endif\n OM( L ) = MIN( 0.9999, OM( L ) )\n END IF\n\n DSDH_TD( L ) = DSDH( L - 1 )\n\n IF ( ONLY_SOLVE_RAD ) CYCLE\n!***FSB get sums of unscaled optical depths\n\n TAU_SCAT( IWL ) = TAU_SCAT ( IWL ) + DTSCAT_A\n\n!***initialize optical depth profiles to the layer increment\n \n TAUC_AERO( II,IWL ) = DT_AERO( L ) ! aerosol optical depth\n TAU_TOT ( II,IWL ) = DTAU( L ) ! total optical depth\n TAU_CLOUD( II,IWL ) = DT_CLOUD( L ) ! cloud optical depth\n!***change extinction units from meters to Megameters\n EXTINCTION( II,IWL ) = 1000.0 * EXTINCTION( II,IWL )\n\n END DO ! loop over layers\n\n!***set values for the stratosphere\n\n OM ( 1 ) = TAU_RAY( IWL ) / ( TAU_RAY( IWL ) + TAUO3_TOP( IWL ) )\n G ( 1 ) = 0.05\n DTAU ( 1 ) = TAUO3_TOP( IWL ) + TAU_RAY( IWL )\n DSDH_TD( 1 ) = DSDH_TOP\n\n NLEVEL = NLAYS + 1\n\n IF ( .NOT. ONLY_SOLVE_RAD ) THEN\n!***calculate optical depth profiles\n TAU_TOT ( NLAYS,IWL ) = TAU_TOT ( NLAYS,IWL ) + DTAU( 1 )\n TAUC_AERO( NLAYS,IWL ) = TAUC_AERO( NLAYS,IWL ) + DT_AERO( 1 ) \n TAU_CLOUD( NLAYS,IWL ) = TAU_CLOUD( NLAYS,IWL ) + DT_CLOUD( 1 ) \n\n DO L = NLAYS-1, 1, -1\n TAU_TOT ( L,IWL ) = TAU_TOT ( L,IWL ) + TAU_TOT ( L+1,IWL )\n TAUC_AERO( L,IWL ) = TAUC_AERO( L,IWL ) + TAUC_AERO( L+1,IWL ) \n TAU_CLOUD( L,IWL ) = TAU_CLOUD( L,IWL ) + TAU_CLOUD( L+1,IWL )\n END DO\n END IF\n \n!***Set fluxes to zero\n\n FDIR = 0.0\n FUP = 0.0\n FDN = 0.0\n EDIR = 0.0\n EUP = 0.0\n EDN = 0.0\n\n!***calculate fluxes and irradiances\n CALL TWOSTREAM_S ( NLEVEL, COSZEN, ALB( IWL ), DTAU, OM, G, DSDH_TD,\n & FDIR, FUP, FDN, EDIR, EUP, EDN )\n\n DO L = 1, NLAYS\n II = NLAYS + 2 - L\n FSUM( L ) = FDIR( II ) + FDN( II ) + FUP( II ) ! actinic flux\n ESUM( L ) = EDIR( II ) + EDN( II ) ! downward irradiance\n END DO ! loop over layers\n\n! add diffusion and direct components for calculating reflectivity and transmissivity\n INSOLATION = INSOLATION + SOLAR_FLUX \n REFLECTION = REFLECTION + SOLAR_FLUX * EUP( 1 )\n TRANSMISSION = TRANSMISSION + SOLAR_FLUX * EDN( NLEVEL )\n TRANS_DIRECT = TRANS_DIRECT + SOLAR_FLUX * EDIR( NLEVEL ) \n\n IF ( ONLY_SOLVE_RAD ) CYCLE\n\n!***FSB Calculate column averaged scattering albedo and asymmetry factor\n\n IF ( TAUC_AERO( 1,IWL ) .GT. 1.0E-30 ) THEN\n SSA_AERO( IWL ) = TAU_SCAT( IWL ) / TAUC_AERO( 1,IWL )\n END IF\n\n TOTAL_TAU_CLD( IWL ) = TAU_CLOUD( 1,IWL )\n\n#ifdef phot_debug\n IF ( TAU_CLOUD( 1,IWL ) .GT. 1.0E-20 ) THEN\n IF ( AVE_ASYMM_CLD( IWL ) .GT. TAU_SCAT_CLD ) THEN\n WRITE( LOGDEV,'(A,I3,2(A,ES12.4))' )\n & 'Sum for AVE_ASYMM_CLD at L(', 1,') = ', AVE_ASYMM_CLD( IWL ),\n & 'Sum for TAU_SCAT_CLD = ',TAU_SCAT_CLD \n WRITE( LOGDEV,'(A,2(ES12.4,1X))' )\n & 'AVE_ASYMM_CLD Increment = ', G_CLOUD\n WRITE( LOGDEV,'(A,2(ES12.4,1X))' )\n & 'TAU_SCAT_CLD Increment = ',\n & DTSCAT_CLOUD\n END IF\n IF ( TAU_SCAT_CLD .GT. 1.0E-20 ) THEN\n AVE_ASYMM_CLD( IWL ) = AVE_ASYMM_CLD( IWL ) / TAU_SCAT_CLD\n AVE_SSA_CLD ( IWL ) = TAU_SCAT_CLD / TAU_CLOUD( 1,IWL )\n ELSE\n AVE_ASYMM_CLD( IWL ) = 0.0\n AVE_SSA_CLD ( IWL ) = 0.0\n END IF\n IF ( ABS( AVE_ASYMM_CLD( IWL ) ) .GE. 1.0 ) THEN\n WRITE( LOGDEV,'(A,I3,2(A,ES12.4))' )\n & 'Sum for AVE_ASYMM_CLD at L(', 1,') = ', AVE_ASYMM_CLD( IWL )*TAU_SCAT_CLD,\n & 'Sum for TAU_SCAT_CLD = ',TAU_SCAT_CLD \n WRITE( LOGDEV,'(A,2(ES12.4,1X))' )\n & 'AVE_ASYMM_CLD Increment = ', G_CLOUD\n WRITE( LOGDEV,'(A,2(ES12.4,1X))' )\n & 'TAU_SCAT_CLD Increment = ', DTSCAT_CLOUD\n END IF\n ELSE\n TOTAL_TAU_CLD( IWL ) = 0.0\n AVE_SSA_CLD ( IWL ) = 0.0\n AVE_ASYMM_CLD( IWL ) = 0.0\n END IF\n#endif\n \n!***FSB capture the total downward irradiance at the surface [ W / m**2]\n!\n! ETOT_SFC( IWL ) = CONV_WM2( IWL ) * FLXSCALE * FEXT( IWL )\n! & * ESUM( 1 )\n\n FORALL( L = 1:NLAYS )\n!***multiply by the solar flux at the domain top for \n!***actinic flux and irradiance; keeping actinic flux in photons/(cm^2*s)\n ACTINIC_FLUX( L,IWL ) = SOLAR_FLUX * FSUM( L )\n IRRADIANCE ( L,IWL ) = SOLAR_FLUX * CONV_WM2( IWL ) * ESUM( L )\n END FORALL\n END DO ! loop over wavelengths\n\n! normalize reflection and transmission coefficients \n INSOLATION = 1.0 / ( COSZEN * INSOLATION )\n TRANS_DIRECT = TRANS_DIRECT * INSOLATION\n REFLECTION = ONE_OVER_PI * REFLECTION * INSOLATION \n TRANSMISSION = ONE_OVER_PI * TRANSMISSION * INSOLATION\n\n IF ( ONLY_SOLVE_RAD ) RETURN \n \n! compute photolysis rates\n DO IPHOT = 1, NPHOTAB\n DO IWL = 1, NWL\n DO L = 1, NLAYS \n BLKRJ( L,IPHOT ) = BLKRJ( L,IPHOT ) \n & + ACTINIC_FLUX( L,IWL ) \n & * CSZ( L,IWL,IPHOT ) * QYZ( L,IWL,IPHOT ) ! [ 1 / sec ]\n END DO\n END DO\n END DO ! loop on layers, wavelength, IPHOT\n! convert actinic flux to watts/m^2 \n FORALL( L = 1:NLAYS, IWL=1:NWL )\n ACTINIC_FLUX( L,IWL ) = ACTINIC_FLUX( L,IWL ) * CONV_WM2( IWL )\n END FORALL\n\n!***compute rate of photolysis (j-values) for each reaction \n\n9503 FORMAT('LAYER = ',I3,' MODE = ',I3,' LAMBDA(nm) = ',ES12.4,' DGN_CORE(m) = ',ES12.4,\n & ' DGN_SHELL(m) = ', ES12.4 / ' REFRACT_IDX_SHELL(NR,NI) = ', 2(ES12.4,1X),\n & ' REFRACT_IDX_CORE(NR,NI) = ', 2(ES12.4,1X) / ' LN(GEO.STD.DEV.) = ',\n & ES12.4)\n9504 FORMAT('LAYER = ',I3,' MODE = ',I3,' LAMBDA(nm) = ',ES12.4,' DGN(m) = ',ES12.4,\n & ' REFRACT_IDX(NR,NI) = ', 2(ES12.4,1X) / ' VOL.DENS. = ', ES12.4,\n & ' LN(GEO.STD.DEV.) = ', ES12.4)\n\n99985 FORMAT('ERROR: Modeled Troposheric Ozone Column downward from layer ',I3,1X)\n99986 FORMAT('exceeds Top Ozone Column based on OMI.data file. Negative Optical Depths ')\n99987 FORMAT('but are physically unlikey.')\n99988 FORMAT(' SETTING O3 Column ABOVE PTOP TO 25% of OMI.dat value ')\n99989 FORMAT(' FOR ROW/COL = ',2(1X,I4))\n\n RETURN\n END SUBROUTINE NEW_OPTICS\n\nC///////////////////////////////////////////////////////////////////////\n\n SUBROUTINE GETSRAY ( NWL, LAMDA, SRAYL )\nC-----------------------------------------------------------------------\nC calculate molecular (Rayleigh) scattering cross section, srayl\nC\nC coded 09/08/2004 by Dr. Francis S. Binkowski\nC Carolina Environmental Program\nC University of North Carolina at Chapel Hill\nC email: frank_binkowski@unc.edu\nC\nC Reference:\nC Nicolet, M., On the molecular scattering in the terrestrial\nC atmosphere: An empirical formula for its calculation in the\nC homoshpere, Planetary and Space Science. Vol. 32,No. 11,\nC Pages 1467-1468, November 1984.\nC-----------------------------------------------------------------------\n\n IMPLICIT NONE\n\n!***arguments\n\n INTEGER, INTENT( IN ) :: NWL ! number of wavelength bins\n REAL, INTENT( IN ) :: LAMDA( : ) ! wavelengths [nm]\n REAL, INTENT( OUT ) :: SRAYL( : ) ! molecular scattering cross sections [cm**2]\n\n!***Internal variables\n\n INTEGER I\n REAL WMICRN ! wavelenght in micrometers\n REAL WMICRN1 ! 1 / wmicrn\n REAL XX ! variable in Nicolet method\n\n!***get molecular scattering cross section. This is a fixed\n!*** function of wavelength.\n\n DO I = 1, NWL\n WMICRN = 1.0E-3 * LAMDA( I ) ! wavelength in micrometers\n WMICRN1 = 1.0 / WMICRN\n\n IF ( WMICRN .LE. 0.55 ) THEN\n XX = 3.6772 + 0.389 * WMICRN + 0.09426 * WMICRN1\n ELSE\n XX = 4.04\n END IF\n\n SRAYL( I ) = 4.02E-28 * WMICRN1**XX ! in [cm**2]\n\n END DO\n\n RETURN\n END SUBROUTINE GETSRAY\n\n\n SUBROUTINE GET_TAUO3 ( IWL, STOZONE, STRAT_TEMP, TAU_O3 )\nC-----------------------------------------------------------------------\nC subroutine to calculate the optical depth of ozone in the\nC stratosphere\nC\nC special cross sections for calculating stratospheric ozone\nC optical depth\nC\nC the following temperatures and cross sections are from\nC Fast-J\nC REFERENCE:\nC Wild, O., X. Zhu, and M.J. Prather, Fast-J: Accurate simulation\nC of in- and below-clolud photolysis in tropospheric chemical\nC models,\nC Journal of Atmospheric Chemistry, Vol. 37, pp 245-282, 2000\nC\nC coded 10/20/2004 by Dr. Francis S. Binkowski\nC Carolina Environmental Program\nC University of North Carolina at Chapel Hill\nC email: frank_binkowski@unc.edu\nC Updated to Fast-JX version 5.0\nC Mar 2011 Bill Hutzell\nC revised interpolation method for a general number of\nC interpolation points\nC\nC-----------------------------------------------------------------------\n\n IMPLICIT NONE\n\n!***arguments\n\n INTEGER, INTENT( IN ) :: IWL ! wavelenth index\n\n REAL, INTENT( IN ) :: STOZONE ! ozone column amount [ DU ]\n REAL, INTENT( IN ) :: STRAT_TEMP ! average temperature for stratosphere [ K ]\n REAL, INTENT( OUT ) :: TAU_O3 ! optical depth for statosphere\n\n!***Local\n\n INTEGER IXT, IXTEMP\n\n REAL OZONE_CS ! interpolated ozone absorption cross section\n REAL YTT ! interpolation variable\n\n!***Find temperature range:\n\n IF ( STRAT_TEMP .LE. TEMP_O3_STRAT( 1 ) ) IXTEMP = 0\n\n DO IXT = 1, NTEMP_STRAT - 1\n IF ( STRAT_TEMP .GT. TEMP_O3_STRAT( IXT ) .AND.\n & STRAT_TEMP .LT. TEMP_O3_STRAT( IXT + 1 ) ) THEN\n IXTEMP = IXT\n YTT = ( STRAT_TEMP - TEMP_O3_STRAT( IXT ) )\n & / ( TEMP_O3_STRAT( IXT + 1 ) - TEMP_O3_STRAT( IXT ) )\n END IF\n END DO\n\n IF ( STRAT_TEMP .GE. TEMP_O3_STRAT( NTEMP_STRAT ) ) THEN\n IXTEMP = NTEMP_STRAT\n YTT = 0.0\n END IF\n\n!***do linear interpolation\n\n IF ( IXTEMP .EQ. 0 ) THEN\n OZONE_CS = XO3CS( 1, IWL )\n ELSE IF ( IXTEMP .GE. 1 .AND. IXTEMP .LT. NTEMP_STRAT ) THEN\n OZONE_CS = XO3CS( IXTEMP, IWL ) +\n & ( XO3CS( IXTEMP+1, IWL ) - XO3CS( IXTEMP, IWL ) ) * YTT\n ELSE IF ( IXTEMP .EQ. NTEMP_STRAT ) THEN\n OZONE_CS = XO3CS( IXTEMP, IWL )\n END IF\n\n TAU_O3 = DU_TO_CONC * STOZONE * OZONE_CS\n\n RETURN\n END SUBROUTINE GET_TAUO3\n\nC///////////////////////////////////////////////////////////////////////\n\n SUBROUTINE O3AMT ( XLAT, XLONG, MDAY, OZONE )\nC-----------------------------------------------------------------------\nC This subroutine implements an algorithm for the annual behavior\nC of total ozone ( taken here to be stratospheric) from\nC climatology\nC Reference:\nC Van Heuklon, Thomas K., Estimating atmospheric ozone for solar\nC radiation models, Solar Energy, Vol. 22, pp 63-68, 1979.\nC updated from an earlier version by\nC Dr. Francis S. Binkowski, The Carolina Environmental Program,\nC The University of North Carolina at Chapel Hill.\nC Email: frank_binkowski@unc.edu\nC November 03. 2004.\nC Only Northern Hemisphere is implemented.\nC-----------------------------------------------------------------------\n\n IMPLICIT NONE\n\n!***arguments\n\n INTEGER, INTENT( IN ) :: MDAY ! Day number during the year\n ! Jan 1st = 1.0, Feb 1st = 32, etc.\n\n REAL, INTENT( IN ) :: XLAT ! latitude of point on earth's surface\n REAL, INTENT( IN ) :: XLONG ! longitude of point on earth's surface\n REAL, INTENT( OUT ) :: OZONE ! Total column amount of ozone [ DU ]\n\n!***Internal:\n\n!***The following parameters are from Table 1 of Van Heuklon (1979).\n\n REAL, SAVE :: A, B, C, D, F, G, H, FJ\n DATA A/150.0/, B/1.28/, C/40.0/, D/0.9865/, F/-30.0/, G/20.0/,\n & H/3.0/, FJ/235.0/\n\n!***FSB FJ is the equatorial annual average of atmospheric ozone\n!*** content, as noted on page 65 of Nav Heulklon (1979). This value\n!*** sets the basic background for ozone.\n\n REAL, PARAMETER :: RD = 0.017453 ! degrees to radians\n\n!***Variables of convenience\n\n REAL E, FI, BPHI, DEF, HLI, SINB, SINB2\n\n!***set the day\n\n E = FLOAT( MDAY )\n FI = 20.0\n IF ( XLONG .LT. 0.0 ) FI = 0.0\n BPHI = B * XLAT * RD\n DEF = D * ( E + F ) * RD\n HLI = H * ( XLONG + FI ) * RD\n SINB = SIN( BPHI )\n SINB2 = SINB * SINB\n\n!***the following equation implements equation (4) of VanHeuklon (1979)\n\n OZONE = FJ + ( A + C * SIN( DEF ) + G * SIN( HLI ) ) * SINB2\n\n RETURN\n END SUBROUTINE O3AMT\n\nC///////////////////////////////////////////////////////////////////////\n\n SUBROUTINE SLANTPATH2 ( NLAYS, Z, ZSFC, REARTH, SINZEN, DZ, DSDH )\nC-----------------------------------------------------------------------\nC PURPOSE:\nC Calculate slant path, ds/dh, over vertical depth in spherical\nC geometry also calculates the layer thicknesses.\nC NOTE!!!\nC This version is restricted to zenith angle less than 90 degrees\nC-----------------------------------------------------------------------\nC ARGUMENTS:\nC INPUT:\nC NLAYS - INTEGER, number of specified altitude levels\nC z - REAL, altitude (agl) [m] <<< meters\nC This is from file ZF ( full layers ) from METCRO3D\nC Z(1) is zero.\nC zsfc - REAL, ground elevation (msl) [m]\nC rearth - REAL, radius of the earth [m]\nC sinzen - REAL, sine of solar zenith angle\nC\nC OUTPUT:\nC dz - REAL, layer thicknesses [ m ]\nC dsdh - REAL, slant path of direct beam through each layer\nC when travelling from the top of the atmosphere downward\nC-----------------------------------------------------------------------\nC EDIT HISTORY:\nC Inspired by sphers from TUV\nC 09/08/2004 modified to specialize for CMAQ application\nC by Dr. Francis S. Binkowski\nC Environmental Modeling for Policy Development group,\nC The Carolina Environmental Program\nC The University of North Carolina-Chapel Hill\nC Email: frank_binkowski@unc.edu\nC\nC-----------------------------------------------------------------------\nC REFERENCE:\nC Dahlback, A. and K. Stamnes, A new spherical model for computing\nC the radiation field available for photolysis and heating at\nC twilight, Planetary and Space Sciences, Vol. 39, No. 5,\nC pp 671-683, 1991.\nC\nC-----------------------------------------------------------------------\n\n IMPLICIT NONE\n\n!***arguments\n\n INTEGER, INTENT( IN ) :: NLAYS\n\n REAL, INTENT( IN ) :: Z ( : )\n REAL, INTENT( IN ) :: ZSFC\n REAL, INTENT( IN ) :: REARTH\n REAL, INTENT( IN ) :: SINZEN\n REAL, INTENT( OUT ) :: DZ ( : ) ! layer thicknesses counting from surface upward\n REAL, INTENT( OUT ) :: DSDH( : )\n\n!***Internal\n\n INTEGER I, J, K ! loop indices\n REAL RE\n REAL DSJ ! slant path length [m]\n REAL DHJ ! layer thickness [m]\n REAL( 8 ) :: RJ, RJP1\n REAL( 8 ) :: RPSINZ ! rpsinz = (re + zd(i)) * sinzen\n REAL( 8 ) :: RPSINZ2 ! rpsinz * rpsinz\n REAL( 8 ) :: GA, GB ! see usage\n REAL :: ZE( NLAYS + 1 ) ! altitudes MSL\n REAL :: ZD( NLAYS + 1 ) ! array of altitudes indexed from top\n REAL :: DZI( NLAYS ) ! layer thicknesses counting downward from the top\n\nC-----------------------------------------------------------------------\n\n!***re include the altitude above sea level to the radius of the earth\n\n RE = REARTH + ZSFC\n\n!***ze is the altitude above msl\n\n DO K = 1, NLAYS + 1\n ZE( K ) = Z( K )\n!!sjr ZE(K) = Z(K) - ZSFC\n END DO\n\n!*** DZ(1) = ZE(2) - ZE(1)\n!*** DZI(1) = ZE(NLAYS + 1) - ZE(NLAYS)\n\n!***calculate dz\n\n DO K = 1, NLAYS\n DZ( K ) = ZE( K + 1 ) - ZE( K )\n END DO\n\n!***zd, dzi are inverse coordinates of ze & dz\n\n DO K = 1, NLAYS + 1\n J = NLAYS + 1 - K + 1\n ZD( J ) = ZE( K )\n END DO\n\n DO K = 1, NLAYS\n J = NLAYS + 1 - K\n DZI( J ) = DZ( K )\n END DO\n\n!***initialize dsdh\n\n DO I = 1, NLAYS\n DSDH( I ) = 0.0\n END DO\n\n!***FSB The following code is a direct implementation of appendix B\n!*** of Dahlbeck and Stamnes (1991) for the case of solar zenith\n!*** angle less than 90 degree.\n\n!***calculate ds/dh of every layer starting at the top\n\n DO J = 1, NLAYS\n!*** K = NLAYS - J +1\n RPSINZ = REAL( ( RE + ZD( J ) ) * SINZEN , 8 )\n RPSINZ2 = RPSINZ * RPSINZ\n\n IF ( J .LT. NLAYS ) THEN\n RJ = REAL( RE + ZD( J ), 8 )\n RJP1 = REAL( RE + ZD( J + 1 ), 8 )\n DHJ = DZI( J )\n ELSE\n RJ = REAL( RE + ZD( J ), 8)\n RJP1 = REAL( RE, 8 )\n DHJ = DZI( J )\n END IF\n\n!***define GA and GB\n\n GB = SQRT( MAX( 0.0D0, RJ * RJ - RPSINZ2 ) )\n GA = SQRT( MAX( 0.0D0, RJP1 * RJP1 - RPSINZ2 ) )\n\n!***This is equation B1 from Dahlbeck and Stamnes (1991)\n\n DSJ = ABS( REAL(GB - GA, 4 ) )\n\n!***this is the slant path (Chapman) function.\n\n DSDH( J ) = DSJ / DHJ ! Note dsdh is on a top to bottom grid.\n\n END DO ! loop over altitude\n\n RETURN\n END SUBROUTINE SLANTPATH2\n\nC///////////////////////////////////////////////////////////////////////\n\n SUBROUTINE SLANTPATHTOP ( ZTOM, ZTOA, ZSFC, REARTH, SINZEN,\n & DSDHTOP )\nC-----------------------------------------------------------------------\nC FSB This is a SPECIAL version to get the slant path from the top of\nC the modeling domain (ztom) to the top of the atmosphere (ztoa).\nC-----------------------------------------------------------------------\nC PURPOSE:\nC Calculate slant path, ds/dh, over vertical depth in spherical\nC geometry also calculates the layer thicknesses.\nC NOTE!!!\nC This version is restricted to zenith angle less than 90 degrees\nC-----------------------------------------------------------------------\nC ARGUMENTS:\nC INPUT:\nC ztom - REAL, altitude (agl) of top of modeling domain [m] << computes raining cloud physics\nC ICLDTYPE = 2 => does the same for non-precip clouds utilizing saved\nC info from RNCLD in the case of co-existing clouds\nC\nC PRECONDITIONS REQUIRED:\nC Dates and times represented YYYYDDD:HHMMSS.\nC\nC\nC REVISION HISTORY:\nC Adapted 3/93 by CJC from science module template\nC Version 3/3/93 with complete LCM aqueous chem by JNY.\nC Modified 6/3-7/93 by CJC & JNY to correct treatment of half layers\nC vs. full layers in loop 255: calculation of DTDP centered at\nC quarter-layers using PSTAR; corresponding revisions to TLCL, TSAT.\nC Uses 4th order R-K solver there.\nC Version 6/5/93 by CJC using relative rainout rates.\nC Version 7/6/93 by CJC using INTERP3()\nC Adapted from LCM aqueous chemistry, initial version, 9/93\nC by JNY and CJC\nC Completion of EM cloud mixing, JNY 12/93\nC Inclusion of EM aqueous chemistry JNY 12/93\nC UPGRADE TO FULL RADM CLOUD MODULE EMULATION, JNY 4/94\nC 8/16/94 by Dongming Hwang Configuration management template\nC Adapted 10/96 by S.Roselle for Models-3\nC 1/97 s.roselle added McHenry`s well mixed assumption code\nC 8/97 S.Roselle revised cgrid units, pressure units, rainfall\nC to hourly amounts, built indices for wet dep species,\nC scavenged species, and aqueous species, built wrapper\nC around aqueous chemistry module\nC 10/97 S.Roselle removed McHenry`s well mixed assumption code\nC and put back the below cloud concentration scaling\nC 11/97 S.Roselle moved the wet deposition output to the calling\nC routine--CLDPROC\nC 01/98 S.Roselle moved indexing code to AQINTER, also\nC moved scavenging to SCAVWDEP\nC 03/98 S.Roselle read sub-hourly rainfall data\nC 12/98 David Wong at LM:\nC -- changed division of 8000, 2, 1000 to its corresponding\nC reciprocal\nC -- added INT in the expression STEP * 0.5 when calling SEC2TIME\nC 03/99 David Wong at LM:\nC -- replaced \"/ FRAC * .001\" by \"/ ( FRAC * 1000.0 )\" to minimize\nC lost of significant digits in calculation\nC Jeff - Dec 00 - move CGRID_MAP into f90 module\nC Jeff - Sep 01 - Dyn Alloc - Use HGRD_DEFN\nC 4/02 S.Roselle changed minimum horizontal resolution for subgrid\nC clouds from 12km to 8km.\nC 1/05 J.Young: dyn alloc - establish both horizontal & vertical\nC domain specifications in one module\nC 5/05 J.Pleim Replaced cloud mixing algorithm with ACM\nC 6/05 S.Roselle added new cloud diagnostic variables\nC 7/05 J.Young: clean up and mod for CMAQ-F\nC 8/10 J.Young: replace chem mechanism include files with namelists\nC and accomodate Shawn Roselle`s, Sergey Napelenok`s\nC and Steve Howard`s aerosol reengineering\nC 3/11 S.Roselle: replaced I/O API include files with UTILIO_DEFN\nC 5/11/11 D.Wong: incorporated twoway model implementation\nC 7/11 G. Sarwar: calculate zenith angle to determine daytime and nightime \nC needed for sulfur oxidation via metal catalysis\nC 9/11 S.Roselle: enable CMAQ subgrid cloud model only when met. driver\nC uses a convective cloud parameterization (removed minimum\nC horizontal grid resolution restriction)\nC 02Aug12 S.Roselle: instrumented to calculate and return\nC transmissivity for convective clouds\nC 04Apr14 B.Hutzell: Added routine call to capture cloud fractions,\nC water, and ice mixing ratios\nC 11Feb15 J.Young: Updated call to czangle.F which uses the ASX_DATA_MOD shared\nC data module (Implemented by J.Bash on 07 Nov 14)\nC 09/04/15 D.Wong: - Made variable declaration method consistent in the caller\nC and calling routines\nC - Used a variable rather than an array in calculation to\nC reduce memory footprint and to increase code efficiency\nC 28May15 J.Young: cleanup\nC 12Jun15 B.Hutzell: Moved call to CLEAR_ACM_CLOUD to after FIRSTIME block to\nC insure results from previous time step are removed\nC 12Jan16 D.Wong: Fixed a bug that causes different result when code run with \nC different domain decomposition\nC 4Apr16 J.Bash Calculate the Sundqvist et al. 1989 threshold humidities \nC for cloud formation based on Mocko and Cotton (1995) to be\nC More consistent with WRF\nC 01Feb19 D.Wong: Implemented centralized I/O approach, removed all MY_N\nC clauses\nC 01AUG19 D.Wong: Modified code to work with two-way model\nC 11 Nov 19 F. Sidi: Changed MSTEP to accomdate Centralized I/O changes\nC-----------------------------------------------------------------------\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE HGRD_DEFN, ONLY: MYPE\n USE UTILIO_DEFN\n USE PHOT_MET_DATA, ONLY: USE_ACM_CLOUD, CLEAR_ACM_CLOUD, CAPTURE_ACM_CLOUD\n USE ASX_DATA_MOD, ONLY: INIT_MET, GRID_DATA\n USE CENTRALIZED_IO_MODULE, ONLY: RCA_AVAIL, cio_model_sdate,\n#ifdef mpas\n & cell_area,\n#endif\n & cio_model_stime, \n & interpolate_var,\n & file_tstep, f_met \n\n \n\n IMPLICIT NONE\n\nC...........INCLUDES\n\n INCLUDE SUBST_CONST ! constants\n INCLUDE SUBST_FILES_ID ! file name parameters\n\nC...........Arguments\n\n INTEGER, INTENT( IN ) :: JDATE\n INTEGER, INTENT( IN ) :: JTIME\n INTEGER, INTENT( IN ) :: TSTEP( 3 )\n\n\nC...........Parameters\n\n#ifdef mpas\nC critical rel humidity for land (fraction)\n REAL, ALLOCATABLE, SAVE :: RCRITL(:,:)\n\nC critical rel humidity for water (fraction)\n REAL, ALLOCATABLE, SAVE :: RCRITW(:,:)\n#else\nC critical rel humidity for land (fraction)\n REAL, SAVE :: RCRITL\n\nC critical rel humidity for water (fraction)\n REAL, SAVE :: RCRITW\n#endif\n\nC intermediate factor\n REAL :: XKM\n\nC param contlng sidewall entrainment function for raining clouds\n REAL, PARAMETER :: SIDEFAC = 0.5\n\nC storm rainout efficiency\n REAL, PARAMETER :: STORME = 0.3\n\nC emp sat vapor press constant from RADM\n REAL, PARAMETER :: C303 = 19.83\n\nC emp sat vapor press constant from RADM\n REAL, PARAMETER :: C302 = 5417.4\n\nC g/kg\n REAL, PARAMETER :: GPKG = 1.0E+03\n\nC 1 hectare = 1.0e4 m**2\n REAL, PARAMETER :: M2PHA = 1.0E+04\n\nC subgrid scale temp perturb (deg K)\n REAL, PARAMETER :: PERT = 1.5\n\nC wvp mix ratio perturb (dimensionless)\n REAL, PARAMETER :: PERQ = 1.5E-3\n\nC rainfall threshold (mm/hr)\n REAL, PARAMETER :: RTHRESH = 0.1\n\nC vapor press of water at 0 C (Pa)\n REAL, PARAMETER :: VP0PA = 611.2\n\nC 1.0 / (vapor press of water @ 0 C) (1/Pa)\n REAL, PARAMETER :: VPINV = 1.0 / VP0PA\n\nC converg. crit. for entrainment solver\n REAL, PARAMETER :: TST = 0.01\n\nC assumed cloud lifetime for convective clouds (sec)\n REAL, PARAMETER :: TCLIFE = 3600.0\n\nC ratio of mol wt of water vapor to mol wt of air\n REAL, PARAMETER :: MVOMA = MWWAT / MWAIR\n\nC ratio of dry gas const to specific heat\n REAL, PARAMETER :: ROVCP = RDGAS / CPD\n\nC ratio of latent heat of vap to specific heat\n REAL, PARAMETER :: LVOCP = LV0 / CPD\n\nC dry adiabatic lapse rate (deg K/m)\n REAL, PARAMETER :: DALR = GRAV / CPD\n\nC Number of species in CGRID\n INTEGER, SAVE :: MXSPCS\n\nC parameter to control frequency of convective cloud processing\nC SYNCCLD=.TRUE. : every synchronization timestep\nC SYNCCLD=.FALSE. : every hour on the half hour\n LOGICAL, PARAMETER :: SYNCCLD = .TRUE. ! default to sync timestep\n\n INTEGER ICLDTYPE ! 1: raining, 2: either CNP or PFW\n\nC...........Local Variables\n\nC-------for ACM version - jp 2/05 REAL DPB\n#ifndef mpas\n REAL, ALLOCATABLE, SAVE :: SIGF( : )\n#endif\nC-------------------------------------------\n\n LOGICAL, SAVE :: FIRSTIME = .TRUE. ! flag for first pass thru\n LOGICAL, SAVE :: CONVCLD = .TRUE. ! flag for modeling convective clds\n\n CHARACTER( 16 ) :: PNAME = 'CONVCLD_ACM' ! prcess name\n CHARACTER( 16 ) :: VARNM ! variable name for IOAPI to get\n\n CHARACTER( 16 ), SAVE :: RC_NAME ! RC name: old is RC and new is RCA\n\n INTEGER ATIME ! time diff from half-hour\n INTEGER CLTOP ! model LAY containing cloud top\n INTEGER COL ! column loop counter\n INTEGER ROW ! row loop counter\n INTEGER CTOP ! dummy variable for cloud top layer\n INTEGER FINI ! ending position\n INTEGER I599C ! entrainment solver iteration counter\n INTEGER LAY ! layer loop counter\n INTEGER MDATE ! process date\n INTEGER MTIME ! process time (half-hour)\n INTEGER, SAVE :: MSTEP ! met file time step (hhmmss)\n INTEGER, SAVE :: SDATE ! met file start date\n INTEGER SPC ! liquid species loop counter\n INTEGER STEP ! step loop counter\n INTEGER STRT ! starting position\n INTEGER, SAVE :: STIME ! met file start time\n INTEGER VAR ! variable loop counter\n\n INTEGER CLBASE ! cld base layer\n INTEGER CLTOPUSTBL ! unstable cld top layer\n INTEGER ISOUND ! flag for sounding stability\n INTEGER SRCLAY ! cloud source level vert index\n\n REAL AIRM ! total air mass (mol/m2) in cloudy air\n REAL AIRMB0 ! mol/m2 air below cloud\n REAL AIRMBI ! inverse mol/m2 air below cloud\n REAL ALFA0 ! aitken mode number scavenging coef\n REAL ALFA2 ! aitken mode sfc area scavenging coef\n REAL ALFA3 ! aitken mode mass scavenging coef\n REAL ARPRES ! ave cloud pres in atm\n REAL CONDIS !\n REAL CTHK ! cloud thickness (m)\n REAL CTHK1 ! aq chem calc cloud thickness\n REAL DAMDP ! dry adiabatic minus dew point lapse rate\n REAL DP ! pressure increment along moist adiabat\n REAL DPLR ! dew point lapse rate\n REAL DQI ! change in ice mix ratio due to melting caused by entrainment\n REAL DQL ! change in liq wat mix ratio due to evap caused by entrainment\n REAL DTCLD ! cloud integration timestep (s)\n REAL DTDP ! moist adiabatic lapse rate\n REAL DZLCL ! height increment to LCL above source level\n REAL ZLCL ! height of LCL above ground\n REAL EMAX ! water vapor pressure at source level\n REAL EQTH ! parcel equivalent potential temperature\n REAL EQTHM ! parcel equivalent potential temp\n REAL FA ! entrainment functional value at TEMPA\n REAL FB ! entrainment functional value at TEMPB\n REAL FRAC ! cloud fractional coverage\n REAL FTST ! functional product in Walcek bisection solver\n REAL HTST ! temp diff in Walcek bisection solver\n REAL, SAVE :: METSTEP ! reciprocal of timestep on the met file, 1/hr\n REAL P1 ! intermediate pressure used in calculating WL\n REAL P2 ! intermediate pressure used in calculating WL\n REAL P3 ! intermediate pressure used in calculating WL\n REAL PBAR ! mean pressure in vertical increments up from LCL along moist adiabat\n REAL PBARC ! mean cloud pressure (Pa)\n REAL PMAX ! parcel pressure\n REAL PP ! scratch pressure variable\n REAL PRATE ! total rainfall (mm/hr)\n REAL PRATE1 ! storm rainfall rate (mm/hr)\n REAL QENT ! wat vap mix ratio due to cld sidewall entrainmt\n REAL QP ! perturbed water vap mix ratio of parcel\n REAL QXS ! int. excess wat ov grid cell needed for rainout\n REAL REMOVAC ! variable storing H+ deposition\n REAL RHOAIR ! air density in kg/m3\n REAL RLH ! relative humidity\n REAL RLHSRC ! relative humidity at cld src level\n REAL RTCH ! chemical gas const times temp\n REAL T1 ! perturbed temp to calc neutral buoyancy also used as max temp in cell comparing cloud with environment\n REAL TBAR ! mean temp in vertical increments up from LCL along moist adiabat\n REAL TBARC ! mean cloud temp (K)\n REAL TBASE ! iterative temp along moist adiabat\n REAL TDMAX ! dew point at source level\n REAL TEMPA ! lower limit on temp for entrainment solver\n REAL TEMPB ! upper limit on temp for entrainment solver\n REAL TEMPC ! scratch temp solved for cloudy air parcel\n REAL TENT ! temp accounting for cld sidewall entrainment\n REAL THMAX ! parcel potential temperature\n REAL TI ! init temp of cloud air before evap of water\n REAL TLCL ! temp at LCL\n REAL TMAX ! perturbed temp of parcel\n REAL TP ! perturbed temp of parcel\n REAL TTOP ! scr vbl used in application of Eq. 7, W&T\n REAL TWC ! tot wat cont in cloud (kg H2O/m3 air)\n REAL WCBAR ! liq water content of cloud (kg/m3)\n REAL WL ! Warner profile (an earlier version appears appears in Walcek and Taylor (JAS, 1986)\n REAL WTBAR ! total wat cont (kg/m2) int. thru cloud depth\n REAL X1 ! intermediate vbles in lapse rate calculation X1 also reused as scratch vble in mixing\n REAL QDIF ! scratch vbl used in entrainment solver\n REAL CLOD\n REAL LWP\n REAL STRNS ! intermediate to set subgrid cld transmissivity\n REAL :: DENSL( NLAYS ) ! air density (kg/m3)\n REAL :: F ( NLAYS ) ! cloud entrainment fraction to be solved for\n REAL :: FSIDE( NLAYS ) ! sidewall entrainment vertical profile\n REAL :: LWC ( NLAYS ) ! liq wat cont of cloud in kg H2O/m3 air\n REAL, ALLOCATABLE, SAVE :: QICE ( : ) ! ice mixing ratio in cloud\n REAL, ALLOCATABLE, SAVE :: QLQD ( : ) ! actual liq. wat. mix ratio in cloud\n REAL :: QVC ( NLAYS ) ! saturation wat vap mix ratio at T1\n REAL :: QWAT ( NLAYS ) ! liq wat mix rat, taken as total condensed water (ice + liq) profile (Eq.4, W&T)\n REAL :: RHOM2( NLAYS ) ! mol/m2 air\n REAL :: TCLD ( NLAYS ) ! temp of cloudy air parcel\n\n REAL FRACMAX ! max frac cov for NP cld\n REAL PLCL ! pressure at LCL\n REAL QMAX ! pertbd w.. mix rat of parcel\n REAL :: RAIN( NCOLS,NROWS ) ! this timestep rainfall (mm/hr)\n REAL BCLDWT ! below cloud weighting function\n\n REAL :: RC ( NCOLS,NROWS ) ! hourly convective rainfall (cm)\n REAL :: PBL ( NCOLS,NROWS ) ! PBL height (m)\n REAL :: DZZ ( NCOLS,NROWS,NLAYS ) ! computed gridded vble\n REAL :: DZZL ( NLAYS ) ! grid cell delta Z\n REAL :: PRES ( NCOLS,NROWS,NLAYS ) ! file gridded vble\n REAL :: PRESL( NLAYS ) ! grid cell pressure\n REAL :: QAD ( NLAYS ) ! moist adiab. sat. mix ratio\n REAL :: QV ( NCOLS,NROWS,NLAYS ) ! input gridded vble\n REAL :: QVL ( NLAYS ) ! grid cell sp. hum.\n REAL :: TA ( NCOLS,NROWS,NLAYS ) ! input gridded vble\n REAL :: TAL ( NLAYS ) ! grid cell temp\n REAL :: TSAT ( NLAYS ) ! parcel temp along moist adiabat @ half levels\n REAL :: ZH ( NCOLS,NROWS,NLAYS ) ! mid-layer height (m)\n REAL :: ZF ( NCOLS,NROWS,NLAYS ) ! level/layer-face height (m)\n\n INTEGER ALLOCSTAT\n INTEGER STATUS\n\n CHARACTER( 120 ) :: XMSG = ' ' ! Exit status message\n\nC...........Statement Functions\n\n REAL ESAT ! sat vap pres (Pa) as fn of T (deg K)\n REAL QSAT ! sat water vapor mixing ratio\n\n REAL T ! temperature dummy arg\n REAL E ! sat vapor pressure dummy arg\n REAL P ! pressure dummy arg\n\n ESAT( T ) = VP0PA * EXP( C303 - ( C302 / T ) )\n\n QSAT( E, P ) = MVOMA * ( E / ( P - E ) )\n\nC-----------------------------------------------------------------------\nC begin body of subroutine CONVCLD_ACM\n\nC...INITIALIZATION for the CONVCLD_ACM module:\nC... event-statistics variables.\n\n IF ( FIRSTIME ) THEN\n\n FIRSTIME = .FALSE.\n\n CALL INIT_MET( JDATE, JTIME )\n\nC...check the grid resolution from the MET_CRO_2D and set an appropriate\nC... flag as to whether convective clouds should be run for the given\nC... resolution\n\nC...open MET_CRO_3D\n\n! IF ( .NOT. OPEN3( MET_CRO_3D, FSREAD3, PNAME ) ) THEN\n! XMSG = 'Could not open '// MET_CRO_3D // ' file'\n! CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n! END IF\n\nC...get description from the met file\n\n! IF ( .NOT. DESC3( MET_CRO_2D ) ) THEN\n! XMSG = 'Could not get ' // MET_CRO_2D //' file description'\n! CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n! END IF\n\nC cccccccccccccccccccc enable backward compatiblity ccccccccccccccccccccc\n\n IF ( RCA_AVAIL ) THEN\n RC_NAME = 'RCA'\n ELSE\n RC_NAME = 'RC'\n END IF\n\nC...store met file time, date, and step information and compute\nC... the met timestep in hours\n\n SDATE = cio_model_sdate\n STIME = cio_model_stime\n MSTEP = file_tstep(f_met) \n \n METSTEP = 3600.0 / FLOAT( TIME2SEC( MSTEP ) ) ! convert to 1/hours\n\nC...check convective precipitation on met files to determine if WRF used\nC... a convective parameterization\n\n call interpolate_var (RC_NAME, sdate, stime, RC)\n\nC...in coordination with MCIPv4.0, negative values will be loaded into the RC\nC... field if a convective parameterization was not used in the WRF simulation\n\n IF ( MAXVAL( RC ) .LT. 0.0 ) THEN\n CONVCLD = .FALSE.\n XMSG = 'MCIP files indicate no convective parameterization was '\n & // 'used in the WRF simulation'\n CALL M3WARN ( PNAME, JDATE, JTIME, XMSG )\n XMSG = 'Processing will continue without subgrid clouds'\n CALL M3MESG ( XMSG )\n RETURN\n END IF\n\nC...allocate saved arrays\n#ifndef mpas\n ALLOCATE ( SIGF( 0:NLAYS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating SIGF'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n DO LAY = 1, NLAYS\n SIGF( LAY ) = 1.0 - X3FACE_GD( LAY )\n END DO\n SIGF( 0 ) = 1.0\n#endif\n ALLOCATE ( QLQD ( NLAYS ), \n & QICE ( NLAYS ), \n & STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating BMOL, CBASE0, CBASEF, CEND, POLC, REMOV,'\n & // 'QLQD or QICE'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n\nC...Calculate the Sundqvist et al. 1989 threshold humidities for cloud formation based on \nC...Mocko and Cotton (1995)\n#ifdef mpas\n ALLOCATE ( RCRITL( NCOLS,NROWS ),\n & RCRITW( NCOLS,NROWS ),\n & STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'EXIT: Failure allocating RCRITL, RCRITW'\n call prog_interrupt (PNAME, JDATE, JTIME, XMSG, 1)\n END IF\n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n ! Reformulate using cell_area to replace XKM\n RCRITW(COL,ROW) = 0.879 + SQRT( 1.0 / ( 100.0 + 1.0E-6*cell_area(col,row) ))\n RCRITL(COL,ROW) = 0.839 + SQRT( 1.0 / ( 50.0 + 0.5 * 1.0E-9*(cell_area(col,row))**1.5 ) )\n END DO\n END DO\n\n#else\n XKM = REAL( XCELL_GD / 1000 )\n RCRITW = 0.879 + SQRT( 1.0 / ( 100.0 + XKM * XKM ) )\n RCRITL = 0.839 + SQRT( 1.0 / ( 50.0 + 0.5 * XKM ** 3 ) )\n#endif\n\n END IF ! Firstime\n\n IF ( .NOT. CONVCLD ) RETURN\n\nC...check option for processing clouds on the synchronization timestep\n\n MDATE = JDATE\n MTIME = JTIME\n\nC...set the cloud timestep (=adv timestep)\n\n STEP = TIME2SEC( TSTEP( 2 ) ) ! syncronization timestep\n DTCLD = REAL( STEP )\n\nC...set time to the midpoint of this timestep for data interpolation\n\n CALL NEXTIME ( MDATE, MTIME, SEC2TIME( STEP / 2 ) )\n\nC...clear arrays that capture ACM cloud results\n\n IF ( USE_ACM_CLOUD ) CALL CLEAR_ACM_CLOUD( JDATE, JTIME )\n\nC...ACTUAL SCIENCE PROCESS (loop on internal process time steps):\nC... Interpolate time dependent layered input variables\nC... (reading those variables for which it is necessary)\n\n call interpolate_var ('TA', mdate, mtime, TA)\n\n call interpolate_var ('QV', mdate, mtime, QV)\n\n call interpolate_var ('ZF', mdate, mtime, ZF)\n\n call interpolate_var ('ZH', mdate, mtime, ZH)\n\nC...Get pressure (Pa)\n call interpolate_var ('PRES', mdate, mtime, PRES)\n\nC...compute layer thicknesses (m)\n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n DZZ( COL,ROW, 1 ) = ZF( COL,ROW, 1 )\n DO LAY = 2, NLAYS\n DZZ( COL,ROW,LAY ) = ZF( COL,ROW,LAY ) - ZF( COL,ROW,LAY - 1 )\n END DO\n END DO\n END DO\n\nC...Get PBL height (m)\n call interpolate_var ('PBL', mdate, mtime, PBL)\n\nC...advance the MDATE and MTIME to the next time on the met file\nC... to get ready to read the precipitation amounts.\nC... Precipitation data WILL NOT BE INTERPOLATED! Precipitation data\nC... on the input file are amounts within the metfiles timestep.\n\n IF ( .NOT. CURRSTEP( JDATE, JTIME, SDATE, STIME, MSTEP,\n & MDATE, MTIME ) ) THEN\n XMSG = 'Cannot get step-starting date and time'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT3 )\n END IF\n\n CALL NEXTIME ( MDATE, MTIME, MSTEP ) ! set mdate:mtime to the hour\n\nC...Get convective precipitation amount (cm)\n\n call interpolate_var (RC_NAME, mdate, mtime, RC)\n\nC...Convert the rainfall rate into mm/hr, then set a flag noting the\nC... presence of raining clouds if the rainfall is above the specified\nC... threshold\n\n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n RAIN( COL,ROW ) = 10.0 * RC( COL,ROW ) * METSTEP\n END DO\n END DO\n IF ( MINVAL( RAIN ) .LT. 0.0 ) THEN\n XMSG = 'NEGATIVE RAIN...PROBABLY BAD MET DATA... in' // MET_CRO_2D\n CALL M3EXIT ( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n\nC...Loop through all grid cells\n\n DO 311 ROW = 1, NROWS\n DO 301 COL = 1, NCOLS\n\n QLQD = 0.0\n QICE = 0.0\n FRAC = 0.0\n\n\n CLBASE = NLAYS\n CLTOP = CLBASE\n CLTOPUSTBL = NLAYS\n QMAX = 0.0\n PLCL = 0.0\n SRCLAY = NLAYS\n\n DO LAY = 1, NLAYS\n QAD( LAY ) = 0.0\n PRESL( LAY ) = PRES( COL,ROW,LAY )\n TAL( LAY ) = TA( COL,ROW,LAY )\n QVL( LAY ) = QV( COL,ROW,LAY )\n DZZL( LAY ) = DZZ( COL,ROW,LAY )\n DENSL( LAY ) = PRESL( LAY ) / ( RDGAS * TAL( LAY ) )\n END DO\n\nC...Test for raining clouds\nC...If the rainfall amount is below the specified threshold, then set\nC... values for some of the parameters which will be used when the\nC... routine is called again for non-precipitating clouds...then\nC... skip to the next grid cell.\n\n IF ( RAIN( COL,ROW ) .GE. RTHRESH ) THEN\n ICLDTYPE = 1\n PRATE = RAIN( COL,ROW )\n FRACMAX = 0.0\n ELSE\n ICLDTYPE = 2\n FRACMAX = 0.5\n END IF\n\nC...Determine cloud source level by determining equivalent\nC... potential temperature profile given perturbed temperature\nC... and water vapor to account for local hot spots which\nC... initiate convection. Layer with maximum equivalent\nC... potential temperature is cloud source layer.\n\n SRCLAY = 1\n TMAX = TAL( 1 ) + PERT\n QMAX = QVL( 1 ) + PERQ\n PMAX = PRESL( 1 )\n THMAX = TMAX * ( 1.0E+05 / PMAX ) ** ROVCP\n EQTHM = THMAX * EXP( LVOCP * QMAX / TMAX )\n\n DO LAY = 2, NLAYS\n\n PP = PRESL( LAY )\n\n IF ( ZH( COL,ROW,LAY ) .GT. 3000.0 ) EXIT ! 650 mb\n\n TP = TAL( LAY ) + PERT\n QP = QVL( LAY ) + PERQ\n THMAX = TP * ( 1.0E+05 / PP ) ** ROVCP\n EQTH = THMAX * EXP( LVOCP * QP / TP )\n\n IF ( EQTH .GT. EQTHM ) THEN\n TMAX = TP\n SRCLAY = LAY\n QMAX = QP\n PMAX = PP\n EQTHM = EQTH\n END IF\n\n END DO\n\nC...Equivalent potential temp max is now known between LAY 1\nC... and 650 mb. We now proceed to compute lifting condensation\nC... level. First, compute vapor pressure at the source level.\nC... Find dewpoint using empirical relationship, avoiding\nC... supersaturation. Then compute dew point lapse rate -\nC... see Walcek and Taylor, 1986.\n\n EMAX = QMAX * PMAX / ( MVOMA + QMAX )\n TDMAX = C302 / ( C303 - LOG( EMAX * VPINV ) )\n TDMAX = MIN( TDMAX, TMAX )\n DPLR = ( GRAV * TDMAX * TDMAX ) / ( MVOMA * LV0 * TMAX )\n\nc...Compute difference between dry adiabatic and dew point lapse\nC... rate, height increment above source level to reach LCL,\nC... then calculate value of pressure at LCL. Save result\nC... in CONV_DEP( *,*,N_SPC_WDEP+2 ).\n\n DAMDP = DALR - DPLR\n\n IF ( DAMDP .LE. 0.0 ) THEN\n\n DZLCL = 0.0\n PLCL = PMAX\nC...walcek formula\n TLCL = TMAX\nC...walcek formula\n\n ELSE\n\n DZLCL = ( TMAX - TDMAX ) / DAMDP\nC...walcek formula\n TLCL = TMAX - DALR * DZLCL\nC...walcek formula\n TBAR = TMAX - 0.5 * DALR * DZLCL ! midpt of TMAX, TLCL\n TBAR = MAX( TBAR , 150.0 )\n PLCL = PMAX * EXP( -( GRAV / RDGAS ) * DZLCL / TBAR )\n ZLCL = DZLCL + ZH( COL,ROW, SRCLAY )\n\n END IF\n\nC...Determine cloud base at LAY in which LCL resides,\nC... but not below layer 2.\n\nC...plcl above middle of top layer\n\n IF ( PRESL( NLAYS ) .GE. PLCL ) THEN\n PLCL = PRESL( NLAYS )\n CLBASE = NLAYS\n CLTOP = CLBASE\n WRITE( LOGDEV,* ) ' WARNING: PLCL above top: Continuing'\n\nC...search loop to find CLBASE\n\n ELSE\n\n DO LAY = 2, NLAYS\n IF ( PRESL( LAY ) .LE. PLCL ) THEN\n CLBASE = LAY\n GO TO 245\n END IF\n END DO\n\n CLBASE = NLAYS ! if you get here base never found\n\n245 CONTINUE\n\n END IF ! if plcl < ptop or , or ...\n\nC...CLBASE is LAY of LCL. Now, determine cloud top by following\nC... moist adiabat up from CLBASE. Assume a stable sounding\nC... (ISOUND=0) at first. Moist adiabat solver calculates\nC... saturation temperatures TF at the full levels and TSAT( COL,ROW,LAY )\nC... at the half-levels, using a 2nd order Runge method employing\nC... temperatures and pressures at the quarter-levels.\n\n ISOUND = 0\n DO 255 LAY = CLBASE, NLAYS\n\nC...walcek formulas\n\n DP = PRESL( LAY - 1 ) - PRESL( LAY )\n PBAR = PRESL( LAY - 1 ) - DP * 0.5\n IF ( LAY .EQ. CLBASE ) THEN\n DP = PLCL - PRESL( LAY )\n PBAR = PLCL - DP * 0.5\n TBASE = TLCL\n END IF\n\n TBAR = MAX( TBASE - 0.00065 * DP, 150.0 )\n X1 = LV0 * QSAT( ESAT( TBAR ), PBAR ) / ( RDGAS * TBAR ) ! Walcek's\n DTDP = ( ( RDGAS * TBAR ) / ( PBAR * CPD ) ) ! original\n & * ( ( 1.0 + X1 ) ! formulas\n & / ( 1.0 + ( 0.622 * LVOCP / TBAR ) * X1 ) )\n TSAT( LAY ) = MAX( TBASE - DP * DTDP, 150.0 )\n QAD ( LAY ) = QSAT( ESAT( TSAT( LAY ) ), PRESL( LAY ) )\n TBASE = TSAT( LAY )\n\nC...end Walcek formulas\n\nC...QAD is the moist adiabatic saturation mixing ratio, needed\nC... for the entrainment solver\nC... Now make choice on stability of sounding, comparing parcel\nC... temperature TSAT with environmental temperature TA.\nC... ISOUND is index for sounding stability. If ISOUND=0,\nC... moist adiabat never warmer than environment (stable).\nC... ISOUND=1, moist adiabat becomes warmer than environment\nC... (unstable).\n\n IF ( ISOUND .EQ. 0 ) THEN\n IF ( TSAT( LAY ) .GT. TAL( LAY ) ) ISOUND = 1\n ELSE ! cloud top determined by neutral bouyancy\n T1 = TSAT( LAY ) ! - 0.5 * PERT\n IF ( T1 .LT. TAL( LAY ) ) THEN\n CLTOP = LAY - 1\n GO TO 256\n END IF\n END IF\n\n255 CONTINUE ! end loop following moist adiabat\n\n CLTOP = NLAYS - 1 ! if you get here: cloud stable or no top\n\n256 CONTINUE\n\nC...At this point, if ISOUND has not been set to 1, we have a\nC... \"stable\" cloud. In this case, we find cloud top by relative\nC... humidity criterion, or, not let cloud top go above 600mb.\n\n IF ( ISOUND .EQ. 0 ) THEN\n IF ( ICLDTYPE .NE. 1 ) GO TO 299\n\n DO 265 LAY = CLBASE + 1, NLAYS\n IF ( PRESL( LAY ) .LE. 60000.0 ) THEN\n CLTOP = LAY - 1\n GO TO 267 ! loop exit\n END IF\n RLH = QVL( LAY ) / QSAT( ESAT( TAL( LAY ) ), PRESL( LAY ) )\n IF ( RLH .LT. 0.65 ) THEN\n CLTOP = LAY - 1\n GO TO 267 ! loop exit\n END IF\n265 CONTINUE\n\n CLTOP = NLAYS - 1 ! if you get here: top never found\n\n ELSE\n\n CLTOPUSTBL = CLTOP ! store unstable cloud top\n\n END IF\n\n267 CONTINUE ! loop exit target\n\n IF ( ICLDTYPE .NE. 1 ) THEN ! get cloud top for either CNP or PFW\n\n IF ( ZLCL .GT. PBL( COL,ROW ) ) GO TO 299\n\nC...compute relative humidity at the cloud source level\n\n RLHSRC = MIN( 1.0, QVL( SRCLAY )\n & / QSAT( ESAT( TAL( SRCLAY ) ), PRESL( SRCLAY ) ) )\n\nC...If all tests pass, then a CNP or PFW cloud exists\nC... Proceed to find CLTOP for CNP or PFW; don`t allow\nC... cloud top to exceed 500mb, or, when RH falls below\nC... 65%, cloud top found\n\nC...Distiguish between CNP and PFW by whether rain is falling\nC... in the cell; if PFW, limit depth and find new CLTOP,\nC... else leave CLTOP alone\n\n IF ( CLTOP .EQ. CLBASE ) THEN\n GO TO 322\n ELSE ! confine PFW to 1500 meters\n CTOP = CLTOP\n\n DO LAY = CTOP, CLBASE, -1\n IF ( ZH( COL,ROW,LAY ) - ZH( COL,ROW,CLBASE ) .LE. 3000.0 ) THEN\n CLTOP = LAY\n GO TO 322 ! exit loop\n END IF\n END DO\n\n END IF\n\n322 CONTINUE ! loop exit for PFW cloud\n\nC...If unstable CNP or PFW, limit CLTOP to CLTOPUSTBL so that\nC... QAD profile is known through cloud depth for entrainment\nC... solver\n\n IF ( ISOUND .EQ. 1 ) CLTOP = MIN( CLTOP, CLTOPUSTBL )\n\nC...Now compute fractional coverage for either CNP or PFW:\nC...Now based on Sunqdvist et al. 1989 DOI: 10.1175/1520-0493(1989)117<1641:CACPSW>2.0.CO;2 \n FRAC = 0.0\n IF ( GRID_DATA%LWMASK( COL,ROW ) .EQ. 1.0 ) THEN ! land\n#ifdef mpas\n IF ( RLHSRC .GE. RCRITL( COL,ROW) )\n & FRAC = 1.0 - SQRT( ( 1.0 - RLHSRC ) / ( 1.0 - RCRITL( COL,ROW ) ) )\n#else\n IF ( RLHSRC .GE. RCRITL )\n & FRAC = 1.0 - SQRT( ( 1.0 - RLHSRC ) / ( 1.0 - RCRITL ) )\n#endif\n ELSE ! water\n#ifdef mpas\n IF ( RLHSRC .GE. RCRITW( COL,ROW ) )\n & FRAC = 1.0 - SQRT( ( 1.0 - RLHSRC ) / ( 1.0 - RCRITW( COL,ROW ) ) )\n#else\n IF ( RLHSRC .GE. RCRITW )\n & FRAC = 1.0 - SQRT( ( 1.0 - RLHSRC ) / ( 1.0 - RCRITW ) )\n#endif\n END IF\n FRAC = MAX( 0.0, MIN( FRAC, 0.95 ) )\n\n IF ( FRAC .LT. 0.01 ) GO TO 299\n\n\n END IF ! end of existence, depth and frac cov calc for\n ! either PFW or CNP clouds\n\nC...Now cloud existence is established, initialize various\nC... variables needed for rest of computations\n\nC...First, get mol air/m2 at each layer, initialize FSIDE\n\n DO LAY = 1, NLAYS\n RHOM2( LAY ) = PRESL( LAY ) * DZZL( LAY )\n & * 1.0E3 / ( RDGAS * MWAIR * TAL( LAY ) )\n FSIDE( LAY ) = 0.0\n END DO\n\nC...Initialize variables needed for entrainment and in-cloud properties solver\n\n QXS = 0.0 ! integrated excess water over grid cell nec. for rnout\n AIRM = 0.0 ! total air mass (mol/m2) in cloudy layers\n PBARC = 0.0 ! in-cloud average pressure\n CTHK = 0.0 ! cloud thickness (m)\n WCBAR = 0.0 ! condensed wat cont (kg/m2) integ. thru cloud depth\n WTBAR = 0.0 ! total wat cont (kg/m2) integrated thru cloud depth\n TBARC = 0.0 ! cloud mean temp (K)\n\nC...Determine condensed water content and entrainment at each cloud level\nC... Determine FSIDE profile for raining clouds; side entrainment\nC... only for PFW and CNP clouds\n\n IF ( ICLDTYPE .EQ. 1 ) THEN ! raining cloud\n\n IF ( CLBASE .EQ. CLTOP ) THEN\n FSIDE( CLBASE ) = 1.0\n ELSE\n\n DO LAY = CLBASE, CLTOP\n FSIDE( LAY ) = 1.0\n END DO\n\n END IF\n\n ELSE ! CNP or PFW\n\n DO LAY = CLBASE, CLTOP\n FSIDE( LAY ) = 1.0\n END DO\n\n END IF\n\nC...Use Warner profile to close system of conservation and\nC... thermodynamic equations solved iteratively, using Secant solver\n\n DO LAY = CLBASE, CLTOP\n WL = 0.7 * EXP( ( PRESL( LAY ) - PLCL ) * 0.000125 ) + 0.2\n\n IF ( LAY .EQ. CLBASE ) THEN\n P1 = 0.5 * ( PRESL( LAY ) + PRESL( LAY - 1 ) )\n\n IF ( PLCL .LT. P1 ) THEN\n P2 = 0.5 * ( PRESL( LAY + 1 ) + PRESL( LAY ) )\n P3 = ( P2 + PLCL ) * 0.5\n WL = 0.7 * EXP( ( P3 - PLCL ) * 0.000125 ) + 0.2\n END IF\n\n END IF\n\nc...original Walcek bisection solver\n\n QWAT( LAY ) = WL * ( QMAX - QAD( LAY ) )\n QWAT( LAY ) = MAX( QWAT( LAY ), 1.0E-20 )\n\n TEMPA = TSAT( LAY ) - 20.0\n TEMPB = TSAT( LAY ) + 10.0\n\n QENT = FSIDE( LAY ) * QVL( LAY )\n & + ( 1.0 - FSIDE( LAY ) ) * QVL( CLTOP )\n QDIF = QENT - QMAX\n IF ( QDIF .EQ. 0.0 ) QDIF = 1.0E-10\n F( LAY ) = ( QSAT( ESAT( TEMPA ), PRESL( LAY ) )\n & + QWAT( LAY ) - QMAX ) / QDIF\n F( LAY ) = MIN( F( LAY ), 1.0 )\n F( LAY ) = MAX( F( LAY ), 0.0 )\n\n TTOP = TAL( CLTOP ) * ( PRESL( LAY ) / PRESL( CLTOP ) ) ** ROVCP\n TENT = TTOP * ( 1.0 - FSIDE( LAY ) ) + TAL( LAY ) * FSIDE( LAY )\n\n TI = TSAT( LAY ) * ( 1.0 - F( LAY ) ) + TENT * F( LAY )\n DQL = ( QMAX - QAD( LAY ) ) * ( 1.0 - F( LAY ) - WL )\n DQI = 0.0\n\n IF ( TEMPA .LT. 273.15 ) THEN\n DQI = -QWAT( LAY ) * ( TEMPA - 273.15 ) / 18.0\n IF ( TEMPA .LE. 255.15 ) DQI = QWAT( LAY )\n END IF\n\n FA = CPD * ( TEMPA - TI ) + LV0 * DQL + LF0 * DQI\n\nC...test for convergence, then cut the interval in half\n\n I599C = 0\n\n599 CONTINUE\n\n HTST = TEMPB - TEMPA\n IF ( HTST .LT. TST ) GO TO 595 ! convergence\n I599C = I599C + 1\n\n IF ( I599C .GT. 1000 ) THEN\n WRITE( XMSG, 91010 )\n & 'NO CONVERGENCE IN ENTRAINMENT SOLVER AT COL= ',\n & COL, ' ROW= ', ROW, ' ICLDTYPE= ', ICLDTYPE\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n\n TEMPC = ( TEMPA + TEMPB ) * 0.5\n QENT = FSIDE( LAY ) * QVL( LAY )\n & + ( 1.0 - FSIDE( LAY ) ) * QVL( CLTOP )\n QDIF = QENT - QMAX\n IF ( QDIF .EQ. 0.0 ) QDIF = 1.0E-10\n F( LAY ) = ( QSAT( ESAT( TEMPC ), PRESL( LAY ) )\n & + QWAT( LAY ) - QMAX ) / QDIF\n F( LAY ) = MIN( F( LAY ), 0.99 )\n F( LAY ) = MAX( F( LAY ), 0.01 )\n TTOP = TAL( CLTOP ) * ( PRESL( LAY ) / PRESL( CLTOP ) ) ** ROVCP\n TENT = TTOP * ( 1.0 - FSIDE( LAY ) ) + TAL( LAY ) * FSIDE( LAY )\n TI = TSAT( LAY ) * ( 1.0 - F( LAY ) ) + TENT * F( LAY )\n DQL = ( QMAX - QAD( LAY ) ) * ( 1.0 - F( LAY ) - WL )\n DQI = 0.0\n\n IF ( TEMPC .LT. 273.15 ) THEN\n DQI = -QWAT( LAY ) * ( TEMPC - 273.15 ) / 18.0\n IF ( TEMPC .LE. 255.15 ) DQI = QWAT( LAY )\n END IF\n\n FB = CPD * ( TEMPC - TI ) + LV0 * DQL + LF0 * DQI\n\n FTST = FA * FB\n\nC...if fa*fb < 0 then zero lies between ta & tc\nC...if fa*fb > 0 then zero lies between tc & tb\n\n IF ( FTST .LE. 0.0 ) THEN\n TEMPB = TEMPC\n ELSE\n TEMPA = TEMPC\n END IF\n GO TO 599\n\n595 CONTINUE ! exit from iterator, convergence achieved\n\nC...we have obtained parcel temp TEMPC at layer LAY\nC...and entrainment fraction F(LAY)\n\nC...end of Walcek bisection solver\n\n TCLD( LAY ) = MAX( TEMPC, 150.0 )\n\nC...ice load in cloud is a function of temperature below freezing\n\n IF ( TCLD( LAY ) .LT. 273.15 ) THEN\n QICE( LAY ) = -QWAT( LAY ) * ( TCLD( LAY ) - 273.15 ) / 18.0\n IF ( TCLD( LAY ) .LE. 255.15 ) QICE( LAY ) = QWAT( LAY )\n END IF\n\nC...After determining the ice fraction, compute the actual\nC... liquid water mixing ratio:\n\n QLQD( LAY ) = QWAT( LAY ) - QICE( LAY )\n\nC...compute the Liquid Water Content (LWC) by taking the\nC... product of the liquid wat mix ratio and the air density\nC... LWC in kg H2O per m**3 air:\n\n RHOAIR = PRESL( LAY ) / ( RDGAS * TCLD( LAY ) )\n LWC( LAY ) = QLQD( LAY ) * RHOAIR\n LWC( LAY ) = MAX( 5.0E-6, LWC( LAY ) ) ! lower limit\n TWC = QWAT( LAY ) * RHOAIR ! total water content\n\nC...Now perform vertical integration, weighting by liquid water\nC... content so that averaged quantities (used in Aqueous\nC... Chemistry) get the greatest weight where the liquid\nC... water content is greatest.\n\nC...weighted cloud temp\n TBARC = TBARC + TCLD( LAY ) * DZZL( LAY ) * LWC( LAY )\n\nC...weighted cloud pres\n PBARC = PBARC + PRESL( LAY ) * DZZL( LAY ) * LWC( LAY )\n\nC...integrated liquid water content (kg/m3)\n WCBAR = WCBAR + DZZL( LAY ) * LWC( LAY )\n\nC...integrated total water content\n WTBAR = WTBAR + DZZL( LAY ) * TWC\n CTHK = CTHK + DZZL( LAY ) ! Cloud thickness\n\nC...Now compute integrated excess water over grid cell\nC... average necessary for rainout, through cloud depth.\nC... First, get max temp in the cell (either in cloud or env.)\n\n T1 = MAX( TCLD( LAY ), TAL( LAY ) )\n\nC...get saturation water vapor mixing ratio at that temp:\n\n QVC( LAY ) = QSAT( ESAT( T1 ), PRESL( LAY ) )\n\nC...excess water is the sum of total condensed and saturated\nC... vapor minus grid cell average mixing ratio: QXS in kg/m2:\nC... integrated through cloud depth\n\n QXS = QXS\n & + ( QWAT( LAY ) + QVC( LAY ) - QVL( LAY ) )\n & * RHOAIR * DZZL( LAY )\n\nC...get total air mass in cloudy layers:\n\n AIRM = AIRM + RHOM2( LAY )\n\n END DO\n\nC...Now begin to split calculations for non-raining and raining\nC... clouds depending on inner loop index ICLDTYPE (1 = raining,\nC... 2 = nonraining: either CNP of PFW:)\n\n IF ( ICLDTYPE .EQ. 2 ) THEN ! no precip or excess water\n PRATE1 = 1.0E-30\n PRATE = 1.0E-30\n QXS = 1.0E-30\n GO TO 7000 ! branch for further CNP or PFW calculations\n END IF\n\nC...continue here for raining cloud...\n\nC...get PRATE1, storm rainout rate in mm/hour, noting that 1 kg\nC... of water occupies a 1 mm thick layer of water in a square meter\nC... of ground (accounts for density of water = 1000 kg/m3)\n\n PRATE1 = STORME * QXS * 3600.0 / TCLIFE\n IF ( PRATE1 .LE. 1.001 * PRATE ) THEN\n FRAC = 0.999 ! Changed back to .999 - jp 6/05\n PRATE1 = PRATE / FRAC\n ELSE\n FRAC = PRATE / PRATE1\n END IF\n IF ( FRAC .LT. 0.01 ) GO TO 299\n\nC...for raining cloud, compute water properties of interest\nC... below cloud base. First, parameterize total water content\n\n TWC = ( 0.067 * PRATE ** ( 0.846 ) ) / ( FRAC * 1000.0 ) ! tot wat cont kg/m3\n\n DO LAY = 1, CLBASE - 1\n TCLD( LAY ) = TAL( LAY )\n RHOAIR = PRESL( LAY ) / ( RDGAS * TCLD( LAY ) )\n QWAT( LAY ) = TWC / RHOAIR ! kg H2O / kg air\n\nC...again partition into ice and liquid\n\n IF ( TCLD( LAY ) .LT. 273.15 ) THEN\n QICE( LAY) = -QWAT( LAY ) * ( TCLD( LAY ) - 273.15 ) / 18.0\n IF ( TCLD( LAY ) .LE. 255.15 ) QICE( LAY ) = QWAT( LAY )\n END IF\n\n QLQD( LAY ) = QWAT( LAY ) - QICE( LAY )\n LWC ( LAY ) = QLQD( LAY ) * RHOAIR\n LWC ( LAY ) = MAX( 5.0E-06, LWC( LAY ) ) ! lower limit\n PBARC = PBARC + PRESL( LAY ) * DZZL( LAY ) * LWC( LAY )\n TBARC = TBARC + TCLD( LAY ) * DZZL( LAY ) * LWC( LAY )\n WCBAR = WCBAR + DZZL( LAY ) * LWC( LAY )\n WTBAR = WTBAR + DZZL( LAY ) * TWC\n CTHK = CTHK + DZZL( LAY )\n\nC...excess water is all rain\n\n QXS = QXS + QWAT( LAY ) * RHOAIR * DZZL( LAY )\n \n END DO\n\nC...Final calc of storm rainfall rate and frac area (raining clds)\n\n PRATE1 = STORME * QXS * 3600.0 / TCLIFE\n\n IF ( PRATE1 .LE. 1.001 * PRATE ) THEN\n FRAC = 0.999 ! Changed back to .999 - jp 6/05\n PRATE1 = PRATE / FRAC\n ELSE\n FRAC = PRATE / PRATE1\n END IF\n IF ( FRAC .LT. 0.01 ) GO TO 299\n \n7000 CONTINUE ! target of cloudtype split\n\nC...Capture cloud information for both cloud types\n\n IF ( USE_ACM_CLOUD ) THEN\n! WRITE(6,'(A,7(I8,1X),3(ES12.4,1X))')\n! & 'MYPE, JDATE, JTIME, COL, ROW, SUBGRID CLD CLBASE, CLTOP,FRAC, SUM(QLQD), SUM(QICE) = ',\n! & MYPE, JDATE, JTIME, COL, ROW, CLBASE, CLTOP,FRAC, SUM(QLQD), SUM(QICE)\n CALL CAPTURE_ACM_CLOUD( JDATE, JTIME, COL, ROW, CLBASE, CLTOP,\n & FRAC, QLQD, QICE )\n END IF\n\n299 CONTINUE\n\n301 CONTINUE ! end loop on columns COL\n311 CONTINUE ! end loop on rows ROW\n\n RETURN ! from main routine CLDPROC\n\n91010 FORMAT( 3( A, :, I3, : ) )\n END SUBROUTINE CONVCLD_PROP_ACM\n" }, { "path": "CCTM/src/phot/inline/o3totcol.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n subroutine o3totcol ( latitude, longitude, jdate, jtime, ozone )\n\n!----------------------------------------------------------------------\n! Function:\n! This subroutine returns total column ozone [DU] for any lat, lon, and date,\n! by interpolating spacially and temporally between OMI/TOMS data in file\n! OMI. The interpolation of ozone between lat, lon, and time is linear.\n! If missing data are encourntered (designated as -1.0 in OMI), the \n! interpolation proceeds with available contiguous and conterminous data.\n!\n! Revision history:\n! Aug 11 J.Streicher: initial version\n! Dec 2013 S.Roselle: time-records adjusted to input file provided;\n! improved logfile reporting\n! Jun 2015 J.Young: maintain code stnds\n!----------------------------------------------------------------------\n\n use runtime_vars\n use utilio_defn\n\n implicit none\n\n! arguments\n\n integer, intent( in ) :: jdate ! Julian day of the year (yyyyddd)\n integer, intent( in ) :: jtime ! time (hhmmss)\n\n real, intent( in ) :: latitude ! latitude of point on earth's surface\n real, intent( in ) :: longitude ! longitude of point on earth's surface\n real, intent( inout ) :: ozone ! total column ozone [DU]\n\n! parameters\n\n real, parameter :: sec2day = 1.0 / 8.64E+4\n! local variables\n\n character( 16 ), save :: tmfile = 'OMI'\n character( 16 ), save :: pname = 'O3TOTCOL'\n character( 96 ) :: xmsg = ' '\n character( 96 ) :: xmsgs( 3 )\n\n integer :: allocstat\n integer :: ilat\n integer :: ilon\n integer :: i\n integer :: icount\n integer :: ios\n integer :: nrecs\n integer :: jyear\n integer :: time\n\n integer, save :: nlat ! = 17 ! or 19\n integer, save :: nlon ! = 17\n integer, save :: nt\n integer, save :: it\n integer, save :: icolumn_prev = 1 \n integer, save :: icolumn_next = 2\n integer, save :: tmunit\n integer, save :: jdate_prev = 0\n integer, save :: jtime_prev = 0\n integer, save :: jstdate, jenddate, jtdate_temp\n\n real :: flag( 8 )\n real :: x2\n real :: x3\n real :: np_oz\n real :: sp_oz\n real :: total\n real :: latitudem\n real :: tdate_temp, tdate\n\n real, save :: x1\n real, save :: strdate, enddate\n real, save :: max_lat, min_lat\n\n real, allocatable, save :: t( : )\n real, allocatable, save :: lat( : )\n real, allocatable, save :: lon( : )\n real, allocatable, save :: oz( :, :, : ) ! two timesteps for interpolation\n\n logical, save :: firsttime = .true.\n\n!----------------------------------------------------------------------\n\n if ( firsttime ) then\n \n firsttime = .false.\n\n tmunit = getefile( tmfile, .true., .true., pname )\n\n if ( tmunit .lt. 0 ) then\n xmsg = 'Error opening ' // tmfile\n call m3exit ( pname, jdate, 0, xmsg, xstat1 )\n end if\n\n read( tmunit, '(5x,i7)') nlat\n read( tmunit, '(5x,i7)') nlon\n\n write(logdev,'(a,i7,a,i7)')'OMI Ozone column data has Lat by Lon Resolution: ',\n & nlat,'X',nlon\n\n allocate ( lat( nlat ), stat = allocstat )\n if ( allocstat .ne. 0 ) then\n xmsg = 'Failure allocating lat'\n call m3exit ( pname, jdate, 0, xmsg, xstat1 )\n end if\n\n allocate ( lon( nlon ), stat = allocstat )\n if ( allocstat .ne. 0 ) then\n xmsg = 'Failure allocating lon'\n call m3exit ( pname, jdate, 0, xmsg, xstat1 )\n end if\n \n! Assign values to array of longitudes: lon\n x2 = 360.0 / real( nlon - 1 )\n do ilon = 1, nlon\n lon( ilon ) = -180.0 + x2 * real( ilon - 1 )\n end do\n\n nrecs = 0\n read( tmunit, * ) ! skip header record\n do\n read( tmunit, *, iostat=ios )\n if ( ios .ne. 0 ) exit\n nrecs = nrecs + 1\n end do\n if ( nrecs .gt. 0 ) nt = nrecs / nlat\n\n allocate ( t( nt ), stat = allocstat )\n if ( allocstat .ne. 0 ) then\n xmsg = 'Failure allocating T'\n call m3exit ( pname, jdate, 0, xmsg, xstat1 )\n end if\n\n allocate ( oz( nlat, nlon, 2 ), stat = allocstat )\n if ( allocstat .ne. 0 ) then\n xmsg = 'Failure allocating oz '\n call m3exit ( pname, jdate, 0, xmsg, xstat1 )\n end if\n\n rewind( tmunit )\n read( tmunit, * )\n read( tmunit, * )\n read( tmunit, * )\n\n! When adding x lines of data to OMI.dat, increase upper limit by x\n! Note: ilat(1) => North to South in degrees\n! Note: ilon(1) = International Dateline (ID) = ilon(nlon); ilon(2)=> West of ID \n\n! Read in array of dates (format: yyyy.yyy)\n\n do it = 1, nt\n do ilat = 1, nlat\n read( tmunit,* ) t( it ), lat( ilat )\n end do\n end do\n\n max_lat = maxval( lat )\n min_lat = minval( lat )\n strdate = minval( t )\n enddate = maxval( t )\n\n end if ! firsttime\n\n if ( jdate .ne. jdate_prev .or. jtime .ne. jtime_prev ) then\n! Use a temporary dummy variable jdate_temp so as not to overwrite jdate\n jtime_prev = jtime\n\n jyear = jdate / 1000\n time = mod(jtime, 100) + 60*mod(jtime/100, 100)+ 3600*(jtime/10000)\n\n tdate = real( jyear ) \n & + ( real( jdate - jyear * 1000 ) + real( time ) * sec2day ) * yr2day( jyear )\n\n tdate_temp = tdate\n\n! Determine if the ozone database includes the requested jdate\n if ( tdate .ge. enddate ) then\n! Submitted date is outside of ozone database range.\n! Total column ozone will be estimated from the corresponding Julian Day\n! of the prior year\n tdate_temp = aint( enddate ) + ( tdate - aint( tdate ) )\n if ( tdate_temp .gt. enddate ) then\n tdate_temp = tdate_temp - 1.0\n end if\n jenddate = int( enddate ) * 1000\n & + int( ( 1.0 / yr2day( int( enddate ) ) )\n & * ( enddate - aint( enddate ) ) )\n jtdate_temp = int( tdate_temp ) * 1000\n & + nint( ( 1.0 / yr2day( int( tdate_temp ) ) )\n & * ( tdate_temp - aint( tdate_temp ) ) )\n if( jdate_prev .ne. jdate )then ! write message to log\n xmsg = 'Requested date is beyond available data on OMI file: <' \n & // dt2str( jenddate, 0 )\n call m3warn ( pname, jdate, 0, xmsg )\n xmsgs( 1 ) = 'Total column ozone will be estimated from the corresponding Julian Day '\n xmsgs( 2 ) = 'of the last available year on the '\n & // 'OMI input file:' // dt2str( jtdate_temp, 0 ) // '<<---<<'\n write(xmsgs( 3 ),'(A,F14.8)')'Exact date: ',tdate_temp\n call m3parag ( 3, xmsgs )\n end if\n else if ( tdate .le. strdate ) then\n! Submitted date is outside of ozone database range.\n! Total column ozone will be estimated from the corresponding Julian Day of\n! the subsequent year\n tdate_temp = real( int( strdate ) ) + ( tdate - real( int( tdate ) ) )\n if ( tdate_temp .lt. strdate ) then\n tdate_temp = tdate_temp + 1.0\n end if\n jstdate = int( strdate ) * 1000\n & + int( ( 1.0 / yr2day( int( strdate ) ) )\n & * ( strdate - aint( strdate ) ) )\n jtdate_temp = int( tdate_temp ) * 1000\n & + nint( ( 1.0 / yr2day( int( tdate_temp ) ) )\n & * ( tdate_temp - aint( tdate_temp ) ) )\n if( jdate_prev .ne. jdate )then ! write message to log\n xmsg = 'Requested date preceeds available data on OMI file: >' \n & // dt2str( jstdate, 0 )\n call m3warn ( pname, jdate, 0, xmsg )\n xmsgs( 1 ) = 'Total column ozone will be estimated from the corresponding Julian Day'\n xmsgs( 2 ) = 'of the next available year on the OMI input file:'\n & // dt2str( jtdate_temp, 0 ) // '<<---<<'\n xmsgs( 3 ) = ' '\n call m3parag ( 3, xmsgs )\n end if\n\n! Submitted date falls within the satellite data measurement gap beginning\n! on 24 Nov 1994 and ending on 22 Jul 1996.\n\n else if ( ( tdate .ge. 1994.899 ) .and. \n & ( tdate .le. 1996.557 ) ) then\n \n if ( tdate .le. 1995.738 ) then\n tdate_temp = tdate - 1.0 ! use previous year\n else\n tdate_temp = tdate + 1.0 ! use subsequent year\n end if\n jtdate_temp = int( tdate_temp ) * 1000\n & + nint( ( 1.0 / yr2day( int( tdate_temp ) ) )\n & * ( tdate_temp - aint( tdate_temp ) ) )\n if( jdate_prev .ne. jdate )then ! write message to log\n xmsg = 'Requested date falls within satellite data'\n & // ' measurement gap: 24 Nov 1994 - 22 Jul 1996'\n call m3warn ( pname, jdate, 0, xmsg )\n xmsgs( 1 ) = 'Total column ozone will be estimated from the corresponding Julian Day'\n xmsgs( 2 ) = 'of the closest available year on the OMI input file:'\n & // dt2str( jtdate_temp, 0 ) // '<<---<<'\n xmsgs( 3 ) = ' '\n call m3parag ( 3, xmsgs )\n end if\n else\n if( jdate_prev .ne. jdate )then ! write message to log\n xmsgs( 1 ) = 'Total column ozone will be interpolated to day '\n & // dt2str( jdate, 0 )\n xmsgs( 2 ) = 'from data available on the OMI input file'\n xmsgs( 3 ) = ' '\n call m3parag ( 3, xmsgs )\n end if \n end if\n\n if( jdate_prev .ne. jdate )then ! need to update day interpolation points\n jdate_prev = jdate\n oz = 0.0\n\n! When adding x lines of data to OMI.dat, increase upper limit by x\n! and increase the dimension of t as needed\n\n! Determine the specific dates in the database that bound the requested jdate\n! i.e. (it) < (jdate_temp) < (it+1)\n! where it is the index var for the database\n! and determine the interpolation factor ?x1? between the bounding dates\n! reset oz and jdate_prev\n\n x1 = 0.0\n x1loop: do it = 1, nt-1\n if ( ( tdate_temp .ge. t( it ) ) .and. \n & ( tdate_temp .le. t( it+1 ) ) ) then\n icolumn_prev = it\n icolumn_next = it + 1\n exit x1loop\n end if\n end do x1loop\n! Determine the corresponding bounding ozone values for all lats and lons\n rewind( tmunit )\n read( tmunit,* )\n read( tmunit,* )\n read( tmunit,* )\n \n do i = 1, it-1\n do ilat = 1, nlat\n read( tmunit,* )\n end do\n end do\n \n do ilat = 1, nlat\n read( tmunit,* ) t( it ), lat( ilat ), ( oz( ilat, ilon, 1 ), ilon=1,(nlon-1) )\n oz( ilat, nlon, 1 ) = oz( ilat, 1, 1 )\n end do\n \n do ilat = 1, nlat\n read( tmunit,* ) t( it+1 ), lat( ilat ), ( oz( ilat, ilon, 2 ), ilon=1,(nlon-1) )\n oz( ilat, nlon, 2 ) = oz( ilat, 1, 2 )\n end do\n end if \n\n x1 = ( tdate_temp - t( icolumn_prev ) ) / ( t( icolumn_next ) - t( icolumn_prev ) )\n \n end if ! jdate .ne. jdate_prev and jtime .ne. jday\n\n flag = 0.0\n ozone = 0.0\n latitudem = 0.0\n x2 = 0.0\n x3 = 0.0\n\n! Handle the special case of lat > max_lat or lat < min_lat.\n! use a dummy latitude variable latitudem so as to prevent overwriting latitude\n\n if ( latitude .gt. max_lat ) then\n latitudem = max_lat\n else if ( latitude .lt. min_lat ) then\n latitudem = min_lat\n else\n latitudem = latitude\n end if\n\n! Identify the database latitudes that bound the requested latitude\n! Determine the proportionality x2\n\n x2loop: do ilat = 1, nlat-1\n if ( ( latitudem .le. lat( ilat ) ) .and. \n & ( latitudem .ge. lat( ilat+1 ) ) ) then\n x2 = ( latitudem - lat( ilat+1 ) ) / ( lat( ilat ) - lat( ilat+1 ) )\n exit x2loop\n end if\n end do x2loop\n\n! Analogously determine the proportionality x3 fot longitude\n\n x3loop: do ilon = 1, nlon-1\n if ( ( longitude .ge. lon( ilon ) ) .and. \n & ( longitude .le. lon( ilon+1 ) ) ) then\n x3 = ( longitude - lon( ilon ) ) / ( lon( ilon+1 ) - lon( ilon ) )\n exit x3loop\n end if\n end do x3loop\n\n ozone = 0.0\n\n! Determine the interpolated ozone, with consideration that some of the 8 ozone values\n! of the data cube may be missing. Construct the estimate from those values that are ! available\n\n flag = 1.0\n\n if ( oz( ilat, ilon+1, 2 ) .le. 0.0 ) then\n oz( ilat, ilon+1, 2 ) = 0.0\n flag( 1 ) = 0.0\n else\n flag( 1 ) = x1 * x2 * x3\n end if\n\n if ( oz( ilat, ilon, 2 ) .le. 0.0 ) then\n oz( ilat, ilon, 2 ) = 0.0\n flag( 2 ) = 0.0\n else\n flag( 2 ) = x1 * x2 * ( 1.0 - x3 )\n end if\n\n if ( oz( ilat+1, ilon+1, 2 ) .le. 0.0 ) then\n oz( ilat+1, ilon+1, 2 ) = 0.0\n flag( 3 ) = 0.0\n else\n flag( 3 ) = x1 * ( 1.0 - x2 ) * x3\n end if\n\n if ( oz( ilat+1, ilon, 2 ) .le. 0.0 ) then\n oz( ilat+1, ilon, 2 ) = 0.0\n flag( 4 ) = 0.0\n else\n flag( 4 ) = x1 * ( 1.0 - x2 ) * ( 1.0 - x3 )\n end if\n\n if ( oz( ilat, ilon+1, 1 ) .le. 0.0 ) then\n oz( ilat, ilon+1, 1 ) = 0.0\n flag( 5 ) = 0.0\n else\n flag( 5 ) = ( 1.0 - x1 ) * x2 * x3\n end if\n\n if ( oz( ilat, ilon, 1 ) .le. 0.0 ) then\n oz( ilat, ilon, 1 ) = 0.0\n flag( 6 ) = 0.0\n else\n flag( 6 ) = ( 1.0 - x1 ) * x2 * ( 1.0 - x3 )\n end if\n\n if ( oz( ilat+1, ilon+1, 1 ) .le. 0.0 ) then\n oz( ilat+1, ilon+1, 1 ) = 0.0\n flag( 7 ) = 0.0\n else\n flag( 7 ) = ( 1.0 - x1 ) * ( 1.0 - x2 ) * x3\n end if\n\n if ( oz( ilat+1, ilon, 1 ) .le. 0.0 ) then\n oz( ilat+1, ilon, 1 ) = 0.0\n flag( 8 ) = 0.0\n else\n flag( 8 ) = ( 1.0 - x1 ) * ( 1.0 - x2 ) * ( 1.0 - x3 )\n end if\n\n ozone = ( x1 ) * ( x2 ) * ( x3 ) * oz( ilat , ilon+1, 2 )\n & +( x1 ) * ( x2 ) * ( 1.0-x3 ) * oz( ilat , ilon , 2 )\n & +( x1 ) * ( 1.0-x2 ) * ( x3 ) * oz( ilat+1, ilon+1, 2 )\n & +( x1 ) * ( 1.0-x2 ) * ( 1.0-x3 ) * oz( ilat+1, ilon , 2 )\n & +( 1.0-x1 ) * ( x2 ) * ( x3 ) * oz( ilat , ilon+1, 1 )\n & +( 1.0-x1 ) * ( x2 ) * ( 1.0-x3 ) * oz( ilat , ilon , 1 )\n & +( 1.0-x1 ) * ( 1.0-x2 ) * ( x3 ) * oz( ilat+1, ilon+1, 1 )\n & +( 1.0-x1 ) * ( 1.0-x2 ) * ( 1.0-x3 ) * oz( ilat+1, ilon , 1 )\n\n total = sum( flag )\n\n! Special case of min_lat > lat or lat > max_lat\n\n if ( latitude .ge. max_lat ) then\n\n np_oz = 0.0\n icount = 0\n\n do ilon = 1, nlon\n if ( ( ( oz( 1, ilon, 1 ) ) .le. 0.0 ) .or. \n & ( ( oz( 1, ilon, 2 ) ) .le. 0.0 ) ) then\n cycle\n else\n icount = icount + 1\n np_oz = np_oz + ( ( 1.0 - x1 ) * oz( 1, ilon, 1 )\n & + x1 * oz( 1, ilon, 2 ) )\n end if\n end do\n\n if ( icount .eq. 0 ) then\n go to 899\n end if\n\n np_oz = np_oz / real( icount )\n\n else if ( latitude .le. min_lat ) then\n\n sp_oz = 0.0\n icount = 0\n\n do ilon = 1, nlon\n if ( ( ( oz( nlat, ilon, 1 ) ) .le. 0.0 ) .or. \n & ( ( oz( nlat, ilon, 2 ) ) .le. 0.0 ) ) then\n cycle\n else\n icount = icount + 1\n sp_oz = sp_oz + ( ( 1.0 - x1 ) * oz( nlat, ilon, 1 )\n & + x1 * oz( nlat, ilon, 2 ) )\n end if\n end do\n\n if ( icount .eq. 0 ) then\n go to 899\n end if\n\n sp_oz = sp_oz / real( icount )\n\n end if ! Special case of abs(lat) > 80 is complete\n\n! When no contiguous and conterminous data are available, default to 300 DU:\n\n if ( total .le. 0.0 ) then\n ozone = 300.0\n else\n if ( latitude .ge. max_lat ) then\n np_oz = np_oz / total\n ozone = ( ( latitude - max_lat ) * 0.1 ) * np_oz\n & + ( 1.0 - ( ( ( latitude - max_lat ) * 0.1 ) ) ) * ozone / total\n \n else if ( latitude .le. min_lat ) then\n sp_oz = sp_oz / total\n ozone = ( ( latitude - min_lat ) * 0.1 ) * sp_oz\n & + ( 1.0 - ( ( ( latitude - min_lat ) * 0.1 ) ) ) * ozone / total\n \n else\n ozone = ozone / total\n end if\n end if\n\n899 if ( ozone .lt. 100.0 ) then\n ozone = 100.0\n! xmsg = 'interpolated ozone column below 100 DU'\n! write(logdev,'(A,20(F10.4,1X))')'For time:',tdate_temp\n! write(logdev,'(A,20(F10.4,1X))')'At lat,lon:',latitude,longitude\n! write(logdev,'(A,20(F10.4,1X))')'Intepolated data'\n! write(logdev,'(A,20(F10.4,1X))')'Time Point 1',\n! & t( icolumn_prev ),lat( ilat ),lat( ilat+1 ),lon( ilon),lon( ilon+1 ),\n! & oz( ilat, ilon+1, 1 ), oz( ilat , ilon , 1 ), \n! & oz( ilat+1, ilon+1, 1 ), oz( ilat+1, ilon , 1 )\n! write(logdev,'(A,20(F10.4,1X))')'Time Point 2',\n! & t( icolumn_next ),lat( ilat ),lat( ilat+1 ),lon( ilon),lon( ilon+1 ),\n! & oz( ilat, ilon+1, 2 ), oz( ilat , ilon , 2 ), \n! & oz( ilat+1, ilon+1, 2 ), oz( ilat+1, ilon , 2 )\n! write(logdev,'(A,20(F10.4,1X))')'Weights, x1, x2,x3: ',x1, x2,x3\n! CALL M3EXIT( 'o3totcol', JDATE, JTIME, XMSG, XSTAT1 )\n else if ( ozone .gt. 800.0 ) then\n! xmsg = 'interpolated ozone column above 800 DU'\n! write(logdev,'(A,20(F10.4,1X))')'For time:',tdate_temp\n! write(logdev,'(A,20(F10.4,1X))')'At lat,lon:',latitude,longitude\n! write(logdev,'(A,20(F10.4,1X))')'Intepolated data'\n! write(logdev,'(A,20(F10.4,1X))')'Time Point 1',\n! & t( icolumn_prev ),lat( ilat ),lat( ilat+1 ),lon( ilon),lon( ilon+1 ),\n! & oz( ilat, ilon+1, 1 ), oz( ilat , ilon , 1 ), \n! & oz( ilat+1, ilon+1, 1 ), oz( ilat+1, ilon , 1 )\n! write(logdev,'(A,20(F10.4,1X))')'Time Point 2',\n! & t( icolumn_next ),lat( ilat ),lat( ilat+1 ),lon( ilon),lon( ilon+1 ),\n! & oz( ilat, ilon+1, 2 ), oz( ilat , ilon , 2 ), \n! & oz( ilat+1, ilon+1, 2 ), oz( ilat+1, ilon , 2 )\n! write(logdev,'(A,20(F10.4,1X))')'Weights, x1, x2,x3: ',x1, x2,x3\n! CALL M3EXIT( 'o3totcol', JDATE, JTIME, XMSG, XSTAT1 )\n ozone = 800.0\n end if\n\n return\n\n end subroutine o3totcol\n" }, { "path": "CCTM/src/phot/inline/opphot.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/work/rep/arc/CCTM/src/phot/phot_inline/opphot.F,v 1.3 2011/10/21 16:11:28 yoj Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE OPPHOT ( JDATE, JTIME, TSTEP )\n\nC-----------------------------------------------------------------------\nC\nC FUNCTION: Opens the photolysis diagnostic files\nC\nC PRECONDITIONS REQUIRED:\nC None\nC\nC REVISION HISTORY:\nC Date Who What\nC -------- ---------- -----------------------------------------\nC 01/2008 S.Roselle Adapted from OPDIAM in the aerosol module\nC for opening the photolysis diagnostic files\nC 03/2011 B.Hutzell Generalized and modified to write out surface albedo\nC 03/29/11 S.Roselle Replaced I/O API include files with UTILIO_DEFN\nC 09/30/14 B.Hutzell Added several diagnostics based on changes to cloud\nC and aerosol description in radiation transfer solution\nC-----------------------------------------------------------------------\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE RXNS_DATA ! chemical mechanism declarations and data\n USE UTILIO_DEFN\n USE PHOT_MET_DATA, ONLY: USE_ACM_CLOUD ! Met and Grid data\n USE PHOT_MOD ! photolysis in-line routines and data\n\n IMPLICIT none\n\n INCLUDE SUBST_FILES_ID ! file name parameters\n\nC...Arguments\n\n INTEGER, INTENT( IN ) :: JDATE ! current model date, coded YYYYDDD\n INTEGER, INTENT( IN ) :: JTIME ! current model time, coded HHMMSS\n INTEGER, INTENT( IN ) :: TSTEP ! output time step\n\nC...Local variables\n\n CHARACTER( 16 ), SAVE :: PNAME = 'OPPHOT'\n CHARACTER( 16 ) :: LAMBDA\n CHARACTER( 96 ) :: XMSG = ' '\n\n INTEGER N, L, JWL, INCR ! loop variables\nC-----------------------------------------------------------------------\n\n#ifndef mpas\nC...Try to open existing file for update\n\n IF ( .NOT. OPEN3( CTM_RJ_1, FSRDWR3, PNAME ) ) THEN\n\n XMSG = 'Could not open ' // CTM_RJ_1 // ' file for update - '\n & // 'try to open new'\n CALL M3MESG( XMSG )\n\nC...Set output file characteristics based on COORD.EXT and open\nC... the photolysis diagnostic file\n\n FTYPE3D = GRDDED3\n SDATE3D = JDATE\n STIME3D = JTIME\n TSTEP3D = TSTEP\n\n NCOLS3D = GL_NCOLS\n NROWS3D = GL_NROWS\n NLAYS3D = 1\n NTHIK3D = 1\n GDTYP3D = GDTYP_GD\n P_ALP3D = P_ALP_GD\n P_BET3D = P_BET_GD\n P_GAM3D = P_GAM_GD\n XORIG3D = XORIG_GD\n YORIG3D = YORIG_GD\n XCENT3D = XCENT_GD\n YCENT3D = YCENT_GD\n XCELL3D = XCELL_GD\n YCELL3D = YCELL_GD\n VGTYP3D = VGTYP_GD\n VGTOP3D = VGTOP_GD\n\n DO L = 1, NLAYS3D + 1\n VGLVS3D( L ) = VGLVS_GD( L )\n END DO\n\n GDNAM3D = GRID_NAME ! from HGRD_DEFN\n\nC...CSA Variables, Units and Descriptions for RJ_FILE\n\n N = 1\n VNAME3D( N ) = 'COSZENS'\n UNITS3D( N ) = ''\n VDESC3D( N ) = 'Cosine of Solar Zenith Angle'\n VTYPE3D( N ) = M3REAL\n\n N = N + 1\n VNAME3D( N ) = 'OZONE_COLUMN'\n UNITS3D( N ) = 'DU'\n VDESC3D( N ) = 'Observed Total Ozone Column Density'\n VTYPE3D( N ) = M3REAL\n\n N = N + 1\n VNAME3D( N ) = 'NO2_COLUMN'\n UNITS3D( N ) = 'petamolec cm-2'\n VDESC3D( N ) = 'Predicted nitrogen dioxide column density'\n VTYPE3D( N ) = M3REAL\n\n N = N + 1\n VNAME3D( N ) = 'CO_COLUMN'\n UNITS3D( N ) = 'petamolec cm-2'\n VDESC3D( N ) = 'Predicted carbon monoxide column density'\n VTYPE3D( N ) = M3REAL\n\n N = N + 1\n VNAME3D( N ) = 'SO2_COLUMN'\n UNITS3D( N ) = 'petamolec cm-2'\n VDESC3D( N ) = 'Predicted sulfur dioxide column density'\n VTYPE3D( N ) = M3REAL\n\n N = N + 1\n VNAME3D( N ) = 'HCHO_COLUMN'\n UNITS3D( N ) = 'petamolec cm-2'\n VDESC3D( N ) = 'Predicted formaldehyde column density'\n VTYPE3D( N ) = M3REAL\n\n N = N + 1\n VNAME3D( N ) = 'TROPO_O3_COLUMN'\n UNITS3D( N ) = 'DU'\n VDESC3D( N ) = 'Predicted Tropospheric Ozone Column density'\n VTYPE3D( N ) = M3REAL\n\n N = N + 1\n VNAME3D( N ) = 'JNO2'\n UNITS3D( N ) = 'min-1'\n VDESC3D( N ) = 'Photodissociation rate of NO2'\n VTYPE3D( N ) = M3REAL\n\n N = N + 1\n VNAME3D( N ) = 'JO3O1D'\n UNITS3D( N ) = 'min-1'\n VDESC3D( N ) = 'Photodissociation rate of ozone producing O(1D)'\n VTYPE3D( N ) = M3REAL\n\n\n N = N + 1\n VNAME3D( N ) = 'RESOLVED_CFRAC'\n UNITS3D( N ) = '1'\n VDESC3D( N ) = 'Resolved Cloud Fraction averaged over cloudy layers'\n VTYPE3D( N ) = M3REAL\n\n N = N + 1\n VNAME3D( N ) = 'RESOLVED_WBAR'\n UNITS3D( N ) = 'g m-3'\n VDESC3D( N ) = 'Resolved Cloud Hydrometeor Content averaged over cloudy layers'\n VTYPE3D( N ) = M3REAL\n \n IF( USE_ACM_CLOUD )THEN\n N = N + 1\n VNAME3D( N ) = 'SUBGRID_CFRAC'\n UNITS3D( N ) = '1'\n VDESC3D( N ) = 'Subgrid Cloud Fraction averaged over cloudy layers'\n VTYPE3D( N ) = M3REAL\n\n N = N + 1\n VNAME3D( N ) = 'SUBGRID_WBAR'\n UNITS3D( N ) = 'g m-3'\n VDESC3D( N ) = 'Subgrid Cloud Hydrometeor Content averaged over cloudy layers'\n VTYPE3D( N ) = M3REAL\n END IF \n\n N = N + 1\n VNAME3D( N ) = 'TRANS_DIFFUSE'\n UNITS3D( N ) = '1'\n VDESC3D( N ) = 'broad band transmission coefficient for diffuse radiation at surface'\n VTYPE3D( N ) = M3REAL\n\n N = N + 1\n VNAME3D( N ) = 'TRANS_DIRECT'\n UNITS3D( N ) = '1'\n VDESC3D( N ) = 'broad band transmission coefficient for direct radiation at surface'\n VTYPE3D( N ) = M3REAL\n \n N = N + 1\n VNAME3D( N ) = 'REFLECTION'\n UNITS3D( N ) = '1'\n VDESC3D( N ) = 'broad band reflection coefficient at top of atmosphere'\n VTYPE3D( N ) = M3REAL\n\n N = N + 1\n VNAME3D( N ) = 'CLR_TRANS_DIF'\n UNITS3D( N ) = '1'\n VDESC3D( N ) = 'broad band diffuse transmission for clear sky at surface'\n VTYPE3D( N ) = M3REAL\n\n N = N + 1\n VNAME3D( N ) = 'CLR_TRANS_DIR'\n UNITS3D( N ) = '1'\n VDESC3D( N ) = 'broad band direct transmission for clear sky at surface'\n VTYPE3D( N ) = M3REAL\n \n N = N + 1\n VNAME3D( N ) = 'CLR_REFLECTION'\n UNITS3D( N ) = '1'\n VDESC3D( N ) = 'broad band reflection for clear sky at top of atmosphere'\n VTYPE3D( N ) = M3REAL\n\n N = N + 1\n VNAME3D( N ) = 'TROPO_O3_EXCEED'\n UNITS3D( N ) = '1'\n VDESC3D( N ) = 'Average Exceedance of modeled ozone column from max fraction of Total Column, '\n & // ' a relative fraction from total column.' \n VTYPE3D( N ) = M3REAL\n\n N = N + 1\n VNAME3D( N ) = 'N_EXCEED_TROPO3'\n UNITS3D( N ) = ''\n VDESC3D( N ) = '# of times predicted tropospheric ozone column exceeds observed total column '\n & // 'per file time step' \n VTYPE3D( N ) = M3REAL\n\n\n DO JWL = 1, NWL\n\nC...assumes that lamba in nanometers is on order of 100 or less\n\n WRITE( LAMBDA,'(I3.3)' ) INT( WAVELENGTH( JWL ) )\n\n N = N + 1\n VNAME3D( N ) = 'ETOT_SFC_W' // TRIM( LAMBDA )\n UNITS3D( N ) = 'W m-2'\n VDESC3D( N ) = 'Total Downward Irradiance at surface at '\n & // TRIM( LAMBDA ) // ' nm'\n VTYPE3D( N ) = M3REAL\n\n N = N + 1\n VNAME3D( N ) = 'AOD_W' // TRIM( LAMBDA )\n UNITS3D( N ) = ''\n VDESC3D( N ) = 'Total Aerosol Optical Depth at '\n & // TRIM( LAMBDA ) // ' nm'\n VTYPE3D( N ) = M3REAL\n\n N = N + 1\n VNAME3D( N ) = 'AOD_ABS_W' // TRIM( LAMBDA )\n UNITS3D( N ) = ''\n VDESC3D( N ) = 'Absorption Aerosol Optical Depth at '\n & // TRIM( LAMBDA ) // ' nm'\n VTYPE3D( N ) = M3REAL\n\n N = N + 1\n VNAME3D( N ) = 'TAU_CLOUD_W' // TRIM( LAMBDA )\n UNITS3D( N ) = ''\n VDESC3D( N ) = 'Cloud Optical Depth at '\n & // TRIM( LAMBDA ) // ' nm'\n VTYPE3D( N ) = M3REAL\n#ifdef phot_debug\n N = N + 1\n VNAME3D( N ) = 'SSA_CLOUD_W' // TRIM( LAMBDA )\n UNITS3D( N ) = '1'\n VDESC3D( N ) = 'Column Averaged Cloud Single Scattering Albedo at '\n & // TRIM( LAMBDA ) // ' nm'\n VTYPE3D( N ) = M3REAL\n\n N = N + 1\n VNAME3D( N ) = 'ASY_CLOUD_W' // TRIM( LAMBDA )\n UNITS3D( N ) = ''\n VDESC3D( N ) = 'Column Averaged Cloud Asymmetry Factor at '\n & // TRIM( LAMBDA ) // ' nm'\n VTYPE3D( N ) = M3REAL\n#endif\n N = N + 1\n VNAME3D( N ) = 'TAU_TOT_W' // TRIM( LAMBDA )\n UNITS3D( N ) = ''\n VDESC3D( N ) = 'Total Optical Depth at'\n & // TRIM( LAMBDA ) // ' nm'\n VTYPE3D( N ) = M3REAL\n\n N = N + 1\n VNAME3D( N ) = 'TAUO3_TOP_W' // TRIM( LAMBDA )\n UNITS3D( N ) = ''\n VDESC3D( N ) = 'Optical Depth of O3 above model domain at '\n & // TRIM( LAMBDA ) // ' nm'\n VTYPE3D( N ) = M3REAL\n\n N = N + 1\n VNAME3D( N ) = 'ALBEDO_W' // TRIM( LAMBDA )\n UNITS3D( N ) = '1'\n VDESC3D( N ) = 'Surface Albedo at the wavelength at '\n & // TRIM( LAMBDA ) // ' nm'\n VTYPE3D( N ) = M3REAL\n\n ENDDO\n\n N = N + 1\n VNAME3D( N ) = 'AOD_W550_ANGST' \n UNITS3D( N ) = ''\n VDESC3D( N ) = 'Aerosol Optical Depth at'\n & // ' 550 nm based on an Angstrom Interpolation'\n VTYPE3D( N ) = M3REAL\n\n N = N + 1\n VNAME3D( N ) = 'AAOD_W550_ANGST' \n UNITS3D( N ) = ''\n VDESC3D( N ) = 'Aerosol Absorption Optical Depth at'\n & // ' 550 nm based on an Angstrom Interpolation'\n VTYPE3D( N ) = M3REAL\n\n NVARS3D = N\n\n FDESC3D( 1 ) = 'Surface Values of Optical Inputs and Radiative Results '\n FDESC3D( 2 ) = 'from the In-line calculation of Photolysis Rates '\n FDESC3D( 3 ) = 'for the ' // TRIM( MECHNAME ) // ' photochemical mechanism '\n DO L = 4, MXDESC3\n FDESC3D( L ) = ' '\n END DO\n\n!C...Write ascii table describing variables\n! WRITE(LOGDEV,'(A)')'*PHOTDIAG1 File Contents'\n! WRITE(LOGDEV,'(A)')'**Surface Values of Optical Inputs and Radiative '\n! & // 'Results from the In-line calculation of Photolysis Rates '\n! WRITE(LOGDEV,99950)\n! WRITE(LOGDEV,99951)\n! DO L = 1, NVARS3D\n! WRITE(LOGDEV,99952)TRIM(VNAME3D( L )),TRIM(UNITS3D( L )),TRIM(VDESC3D( L ))\n! END DO\n\nC...Open the 1st photolysis diagnostic file\n\n IF ( .NOT. OPEN3( CTM_RJ_1, FSNEW3, PNAME ) ) THEN\n XMSG = 'Could not create '// CTM_RJ_1 // ' file'\n CALL M3EXIT ( PNAME, SDATE3D, STIME3D, XMSG, XSTAT1 )\n END IF\n\n END IF\n \nC...Try to open existing file for update\n\n IF ( .NOT. OPEN3( CTM_RJ_2, FSRDWR3, PNAME ) ) THEN\n\n XMSG = 'Could not open ' // CTM_RJ_2 // ' file for update - '\n & // 'try to open new'\n CALL M3MESG ( XMSG )\n\nC...Set output file characteristics based on COORD.EXT and open\nC... the photolysis diagnostic file\n\n FTYPE3D = GRDDED3\n SDATE3D = JDATE\n STIME3D = JTIME\n TSTEP3D = TSTEP\n\n NCOLS3D = GL_NCOLS\n NROWS3D = GL_NROWS\n NLAYS3D = NLAYS_DIAG\n NTHIK3D = 1\n GDTYP3D = GDTYP_GD\n P_ALP3D = P_ALP_GD\n P_BET3D = P_BET_GD\n P_GAM3D = P_GAM_GD\n XORIG3D = XORIG_GD\n YORIG3D = YORIG_GD\n XCENT3D = XCENT_GD\n YCENT3D = YCENT_GD\n XCELL3D = XCELL_GD\n YCELL3D = YCELL_GD\n VGTYP3D = VGTYP_GD\n VGTOP3D = VGTOP_GD\n GDNAM3D = GRID_NAME ! from HGRD_DEFN\n\n DO L = 1, NLAYS3D + 1\n VGLVS3D( L ) = VGLVS_GD( L )\n END DO\n\n FDESC3D( 1 ) = 'Three dimensional values of Photolysis rates '\n FDESC3D( 2 ) = 'used to make predictions for the ' // TRIM( MECHNAME )\n FDESC3D( 3 ) = 'photochemical mechanism from the In-line calculation.'\n FDESC3D( 4 ) = 'Data files can be found in CMAQ repository under subdirectory,'\n FDESC3D( 5 ) = 'UTIL/inline_phot_preproc/photolysis_CSQY_data'\n DO N = 6, MXDESC3\n FDESC3D( N ) = ' '\n END DO\n\nC...load data from photolysis reaction list\n\n DO N = 1, NPHOTAB\n VNAME3D( N ) = PHOTAB( N )\n VTYPE3D( N ) = M3REAL\n UNITS3D( N ) = 'min-1'\n VDESC3D( N ) = 'Photolysis rates calculated based on data file; ' // VNAME3D(N)\n END DO\n\n NVARS3D = NPHOTAB\n \n!C...Write ascii table describing variables\n! WRITE(LOGDEV,'(A)')'*PHOTDIAG2 File Contents'\n! WRITE(LOGDEV,'(A)')'**Three dimensionals values of Photolysis rates '\n! & // 'used to make predictions from the In-line calculation '\n! & // ' of Photolysis Rates '\n! WRITE(LOGDEV,99950)\n! WRITE(LOGDEV,99951)\n! DO L = 1, NVARS3D\n! WRITE(LOGDEV,99952)TRIM(VNAME3D( L )),TRIM(UNITS3D( L )),TRIM(VDESC3D( L ))\n! END DO\n\n IF ( .NOT. OPEN3( CTM_RJ_2, FSNEW3, PNAME ) ) THEN\n XMSG = 'Could not create '// CTM_RJ_2 // ' file'\n CALL M3EXIT ( PNAME, SDATE3D, STIME3D, XMSG, XSTAT1 )\n END IF\n\n END IF\n\nC...Try to open existing file for update\n\n IF ( .NOT. OPEN3( CTM_RJ_3, FSRDWR3, PNAME ) ) THEN\n\n XMSG = 'Could not open ' // CTM_RJ_3 // ' file for update - '\n & // 'try to open new'\n CALL M3MESG ( XMSG )\n\nC...Set output file characteristics based on COORD.EXT and open\nC... the photolysis diagnostic file\n\n FTYPE3D = GRDDED3\n SDATE3D = JDATE\n STIME3D = JTIME\n TSTEP3D = TSTEP\n\n NCOLS3D = GL_NCOLS\n NROWS3D = GL_NROWS\n NLAYS3D = NLAYS_DIAG\n NTHIK3D = 1\n GDTYP3D = GDTYP_GD\n P_ALP3D = P_ALP_GD\n P_BET3D = P_BET_GD\n P_GAM3D = P_GAM_GD\n XORIG3D = XORIG_GD\n YORIG3D = YORIG_GD\n XCENT3D = XCENT_GD\n YCENT3D = YCENT_GD\n XCELL3D = XCELL_GD\n YCELL3D = YCELL_GD\n VGTYP3D = VGTYP_GD\n VGTOP3D = VGTOP_GD\n GDNAM3D = GRID_NAME ! from HGRD_DEFN\n\n DO L = 1, NLAYS3D + 1\n VGLVS3D( L ) = VGLVS_GD( L )\n END DO\n\n FDESC3D( 1 ) = 'Three dimensionals values of Optical Inputs and Radiative'\n FDESC3D( 2 ) = 'Results from the In-line photolysis calculation using the'\n FDESC3D( 3 ) = TRIM( MECHNAME ) // ' photochemical mechanism.'\n\n DO N = 4, MXDESC3\n FDESC3D( N ) = ' '\n END DO\n \n N = 0\n \n DO L = 1, N_DIAG_WVL\n\nC...assumes that lamba in nanometers is on order of 100 or less\n\n JWL = DIAG_WVL( L )\n \n WRITE( LAMBDA,'(I3.3)' ) INT( WAVELENGTH( JWL ) )\n\n N = N + 1\n VNAME3D( N ) = 'AERO_SCAT_W' // TRIM( LAMBDA )\n UNITS3D( N ) = 'Km-1'\n VDESC3D( N ) = 'Aerosol Scattering of layer at '\n & // TRIM( LAMBDA ) // ' nm'\n VTYPE3D( N ) = M3REAL\n\n N = N + 1\n VNAME3D( N ) = 'AERO_ASYM_W' // TRIM( LAMBDA )\n UNITS3D( N ) = ''\n VDESC3D( N ) = 'Aerosol Asymmetry Factor at '\n & // TRIM( LAMBDA ) // ' nm'\n VTYPE3D( N ) = M3REAL\n\n N = N + 1\n VNAME3D( N ) = 'EXT_W' // TRIM( LAMBDA )\n UNITS3D( N ) = 'Km-1'\n VDESC3D( N ) = 'Total Extinction of layer for '\n & // TRIM( LAMBDA ) // ' nm'\n VTYPE3D( N ) = M3REAL\n\n N = N + 1\n VNAME3D( N ) = 'GAS_EXT_W' // TRIM( LAMBDA )\n UNITS3D( N ) = 'Km-1' \n VDESC3D( N ) = 'Total Extinction from Rayleigh scattering NO2 and O3 in layer for '\n & // TRIM( LAMBDA ) // ' nm'\n VTYPE3D( N ) = M3REAL\n \n N = N + 1\n VNAME3D( N ) = 'EXT_AERO_W' // TRIM( LAMBDA )\n UNITS3D( N ) = 'Km-1'\n VDESC3D( N ) = 'Aerosol Extinction in layer for '\n & // TRIM( LAMBDA ) // ' nm'\n VTYPE3D( N ) = M3REAL\n \n N = N + 1\n VNAME3D( N ) = 'ACTINIC_FX_W' // TRIM( LAMBDA )\n UNITS3D( N ) = 'W m-2'\n VDESC3D( N ) = 'Net Actinic Flux, '\n & // TRIM( LAMBDA ) // ' nm'\n VTYPE3D( N ) = M3REAL\n\n END DO\n \n N = N + 1\n VNAME3D( N ) = 'CFRAC_3D'\n UNITS3D( N ) = '1'\n VDESC3D( N ) = 'Resolved Cloud Fraction in grid cell'\n VTYPE3D( N ) = M3REAL\n\n N = N + 1\n VNAME3D( N ) = 'EXT_AERO_W550'\n UNITS3D( N ) = 'Km-1'\n VDESC3D( N ) = ' Aerosol Extinction of layer for '\n & // '550 nm based on an Angstrom Interpolation'\n VTYPE3D( N ) = M3REAL\n \n\n NVARS3D = N\n\n!C...Write ascii table describing variables\n! WRITE(LOGDEV,'(A)')'*PHOTDIAG3 File Contents'\n! WRITE(LOGDEV,'(A)')'**Three dimensionals values of Optical Inputs and Radiative '\n! & // 'Results from the In-line photolysis calculation.'\n! WRITE(LOGDEV,99950)\n! WRITE(LOGDEV,99951)\n! DO L = 1, NVARS3D\n! WRITE(LOGDEV,99952)TRIM(VNAME3D( L )),TRIM(UNITS3D( L )),TRIM(VDESC3D( L ))\n! END DO\n\nC...Open the 3rd photolysis diagnostic file\n\n IF ( .NOT. OPEN3( CTM_RJ_3, FSNEW3, PNAME ) ) THEN\n XMSG = 'Could not create '// CTM_RJ_3 // ' file'\n CALL M3EXIT ( PNAME, SDATE3D, STIME3D, XMSG, XSTAT1 )\n END IF\n\n END IF\n#endif\n\n99950 FORMAT('|Variable Name|Units|Description |') \n99951 FORMAT('|:----|:----:|:---------------------------------------------|')\n99952 FORMAT('|', A16, '|', A16, '|', A, '|')\n\n RETURN\n\n END SUBROUTINE OPPHOT\n" }, { "path": "CCTM/src/phot/inline/phot.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n!:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE PHOT ( CGRID, JDATE, JTIME, DTSTEP )\n\n!-----------------------------------------------------------------------\n!\n! Function: Calculates the photolysis rate constant to be used by the\n! chemical solver. It calculates these rates at each gridcell using\n! codes adapted from JPROC. Cloud correction now called within the\n! loops over MY-ROW & MY_COLS\n!\n! Preconditions: HGRD_INIT() called from PAR_INIT, which is called from\n! DRIVER\n!\n! Subroutines/Functions called: M3EXIT, SUBHFILE, CGRID_MAP,\n! OPPHOT, LOAD_CSQY_DATA, LOAD_OPTICS_DATA, INITIALIZE_ALBEDO, \n! GET_PHOT_MET, UPDATE_SUN, GET_ALBEDO, GET_DROPLET_OPTICS, \n! GET_ICE_OPTICS, GET_AGGREGATE_OPTICS, CLEAR_HYDROMETEOR_OPTICS, \n! GET_AERO_DATA, O3TOTCOL, and NEW_OPTICS\n!\n! Revision History.\n! Started 10/08/2004 with existing PHOT and JPROC coded by\n! Dr. Francis S. Binkowski\n! Carolina Environmental Program\n! University of North Carolina at Chapel Hill\n! email: frank_binkowski@unc.edu\n! August 2005, Sarav Arunachalam, CEP, UNC-CH\n! - Minor revisions while integrating with CMAQ\n! - Error check for NPHOTS added (this version works only for SAPRC-99)\n! - Added creation of new file CTM_RJ_1 to write out RJ values\n! for O3 and NO2 (both clear sky and cloud effects), and\n! ETOT_SFC, TAU_AERO, TAU_TOT and TAUO3_TOP values for 7 wavelengths\n! June 2007, David Wong\n! -- inline with CMAQ\n! - declare RJ as assumed shape array to match with the caller routine\n! - allow PE 0 only to open the output file\n! - output species: NO2_CLOUD and O3_CLOUD with AMISS value when all cells\n! are dark and JTIME_CHK = 0\n! - output species: NO2_CLOUD and O3_CLOUD with AMISS value when CLDATT is\n! 0 and JTIME_CHK = 0\n! December 2007, Francis Binkowski\n! code has been modified to call the new on-line version that\n! has the cloud effects built in. new photolysis routine to\n! replace PHOT in CMAQ\n! January 2008, Shawn Roselle\n! - reformatted for inclusion in CMAQ\n! - added additional 3-d photolysis rate diagnostic file\n! - moved code for opening the diagnostic files to a separate subroutine\n! - moved aerosol pointer evaluation to a FORTRAN module\n! - simplified code for writing the diagnostic file\n! - changed code to call NEW_OPTICS twice, once for clear sky and\n! another time for the cloudy fraction of the grid cell. RJ's are\n! computed based on the cloud fraction weighting.\n! March 2011, Bill Hutzell\n! - enable wavelength dependent arrays to have an allocatable number\n! of wavelength bins\n! - added data structure and algorithm to compute a surface albedo that\n! depends on time and landuse catagory based on work by John Striecher\n! (AMAD/USEPA)\n! - revised writing to RJ1 file to include surface albedo\n! - moved photolysis and opacity data from CSQY module to an ASCII input\n! file\n! - added routine called LOAD_REF_DATA (inside the PHOT_MOD module) that i\n! reads this input file\n! - added call to a routine called AERO_PHOTDATA that returns opacity data\n! on the aerosol distribution\n! - revised NEW_OPTICS' arguments based on aerosol redesign in CMAQ\n! version 5.0\n! March 29, 2011 S.Roselle\n! - Replaced I/O API include files with UTILIO_DEFN\n! 07 Jul 14 B.Hutzell: replaced mechanism include file(s) with fortran module\n! 26 Sep 14 B.Hutzell: 1) moved calculation of surface albedo to its own\n! fortran module\n! 2) changed loading procedure for loading optical data;\n! two files now used\n! 3) reading and calculation of met and geo data\n! now acomplished by a fortran module\n! 4) changed description and accounting of cloud effects\n! from 2D liquid water clouds to 3D resolved and subgrid\n! clouds with multi-phases of water\n! 5) inserted calculation of aerosol optical properties via\n! fortran module to improve efficiency in radiative\n! transfer solution\n! 6) moved the O3TOTCOL routine from the PHOT_MOD to simplify\n! the NEW_OPTICS routine\n! 7) Several miscellaneous changes attempting to improve efficiency\n! June 10 15 J.Young: Modified diagnostic output timestamp to fix for other than one\n! hour time steps.\n! Aug 12, 15 D. Wong: Replaced MYPE with IO_PE_INCLUSIVE for parallel I/O implementation\n! Feb 01, 19 David Wong: Implemented centralized I/O approach, removed all MY_N\n! clauses\n\n!----------------------------------------------------------------------\n\nC...modules\n\n USE RUNTIME_VARS, ONLY : START_DATE => STDATE, START_TIME => STTIME\n USE RXNS_DATA ! chemistry varaibles and data\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE CGRID_SPCS ! CGRID species number and offsets\n USE UTILIO_DEFN\n USE AERO_DATA ! describes aerosol distribution\n USE PHOT_MOD ! photolysis in-line module - inherits CSQY_DATA module\n USE AERO_PHOTDATA ! arrays and routines for aerosol dimensions and refractive indices\n USE PHOTOLYSIS_ALBEDO ! surface albedo data and routines\n USE PHOT_MET_DATA ! Met and Grid data\n USE CLOUD_OPTICS ! data and routines for optics of cloud hydrometeors\n USE SEAS_STRAT_O3_MIN ! monthly minimum fraction of ozone column density above Pressure TOP\n USE CENTRALIZED_IO_MODULE, ONLY : LAT, LON, HT\n USE ELMO_DATA, ONLY : ELMO_AOD_550, ELMO_EXT_550\n\n#ifdef mpas\n use mio_module\n use coupler_module\n#else\n#ifdef parallel\n USE SE_MODULES ! stenex (using SE_UTIL_MODULE)\n#else\n USE NOOP_MODULES ! stenex (using NOOP_UTIL_MODULE)\n#endif\n#endif\n\n IMPLICIT NONE\n\n!...include files\n\n INCLUDE SUBST_FILES_ID ! file name parameters\n\n!...arguments\n\n REAL, POINTER :: CGRID( :,:,:,: ) ! Species concentrations\n INTEGER, INTENT( IN ) :: JDATE ! current Julian date (YYYYDDD)\n INTEGER, INTENT( IN ) :: JTIME ! current time (HHMMSS)\n INTEGER, INTENT( IN ) :: DTSTEP( : ) ! time step vector (HHMMSS)\n\n\n!...parameters\n\n LOGICAL, PARAMETER :: CLDATT = .TRUE. ! include cloud attenuation\n\n REAL, PARAMETER :: DENS_CONV = ( 1.0E+03 * AVO / MWAIR ) * 1.0E-06 ! convert from kg/m**3 to #/cc\n REAL, PARAMETER :: PPM_MCM3 = 1.0E-06 ! convert from ppm to molecules / cc mol_Spec/mol_Air = ppm * 1E-06\n REAL, PARAMETER :: PRES_CONV = 1.0 / STDATMPA ! conversion factor Pa to atm\n REAL, PARAMETER :: ZTOA = 50.0E3 ! height of top of atmosphere [ m ] (=50km)\n ! based a 2005 WRF model Documentation\n\n REAL, PARAMETER :: EPSLON = 1.0E-30 ! Small number\n\n!...external functions: none\n\n!...local variables\n\n LOGICAL, SAVE :: FIRSTIME = .TRUE. ! Flag for first call to PHOT\n\n LOGICAL, SAVE :: CALL_INIT_ALBEDO = .TRUE.\n LOGICAL, SAVE :: CALL_GET_ALBEDO = .TRUE.\n\n LOGICAL :: ZERO_ICE\n\n CHARACTER( 3 ), ALLOCATABLE, SAVE :: WLTXT( : )\n CHARACTER( 16 ) :: VARNM\n CHARACTER( 16 ), SAVE :: PNAME = 'PHOT'\n CHARACTER( 16 ) :: V_LIST( 2 )\n CHARACTER( 16 ) :: REQUESTED_WAVE\n CHARACTER( 16 ), ALLOCATABLE :: WAVE_LIST( : )\n\n CHARACTER( 80 ) :: VARDESC ! environment variable description\n CHARACTER( 240 ) :: XMSG = ' '\n\n INTEGER, SAVE :: LGC_O3 = 0 ! pointer to O3 in CGRID\n INTEGER, SAVE :: LGC_NO2 = 0 ! pointer to NO2 in CGRID\n INTEGER, SAVE :: LGC_CO = 0 ! pointer to CO in CGRID\n INTEGER, SAVE :: LGC_SO2 = 0 ! pointer to SO2 in CGRID\n INTEGER, SAVE :: LGC_HCHO = 0 ! pointer to formaldehyde in CGRID\n INTEGER, SAVE :: TSTEP ! output timestep in sec\n\n INTEGER ESTAT ! status from environment var check\n INTEGER IPHOT ! photolysis rate loop index\n INTEGER ROW\n INTEGER COL\n INTEGER LEV\n INTEGER SPC\n INTEGER IWL\n INTEGER L\n INTEGER V, N, MODE\n \n LOGICAL :: JTIME_CHK ! To check for JTIME to write RJ values\n INTEGER, SAVE :: ODATE ! output date\n INTEGER, SAVE :: OTIME ! output time\n INTEGER, SAVE :: OSTEP ! time since last write diagnostics \n\n INTEGER ALLOCSTAT\n\n INTEGER ITMSTEP ! one half synchronization timestep (sec)\n INTEGER MIDDATE ! Date at time step midpoint\n INTEGER MIDTIME ! Time at time step midpoint\n\n INTEGER, SAVE :: TDATE\n INTEGER, SAVE :: PECOL_OFFSET ! Local Column Offset for processor\n INTEGER, SAVE :: PEROW_OFFSET ! Local Column Offset for processor\n INTEGER, SAVE :: TSTEP_COUNT ! counter between calls to write diagnostics\n\n REAL CURRHR ! current GMT hour\n REAL JULIAN_DAY ! time of year [days]\n REAL CURRHR_LST ! local standard time at each grid cell\n REAL CTOP ! cloud top in single dimension\n REAL CBASE ! cloud base in single dimension\n REAL ZLEV ! height in single dimension\n REAL ZEN ! cosine of zenith angle\n REAL SINLAT ! sine of latitude\n REAL COSLAT ! cosine of latitude\n REAL RSQD ! square of soldist\n REAL ZSFC ! surface height (msl) [ m ]\n REAL EQT ! equation of time\n REAL SOLDIST ! solar distance [ au ]\n REAL SINDEC ! sine of the solar declination\n REAL COSDEC ! cosine of the solar declination\n REAL COSZEN ! working cosine of the solar zenith angle\n REAL SINZEN ! working sine of the solar zenith angle\n REAL LATCR ! local latitude\n REAL LONCR ! local longitude\n REAL OWATER_FRAC ! Open water fraction\n REAL SNOW_FRAC ! Snow fractional coverage\n REAL SEAICE_FRAC ! Sea Ice fraction\n REAL RES_SKY_REFLECT ! reflection coefficient based on resolved sky\n REAL RES_SKY_TRANS ! diffuse transmission coefficient based on resolved sky\n REAL RES_SKY_TRANSD ! direct transmission coefficient based on resolved sky\n\n REAL :: TOTAL_O3_COLUMN ! total ozone column density, DU\n\n REAL, SAVE :: JYEAR = 0.0 ! year\n REAL, SAVE :: JD_STRAT_O3MIN = 0.0 ! Julian day (YYYYDDD) of min fraction for stratos ozone\n\n INTEGER, PARAMETER :: DAYS( 12 ) = (/ 0, 31, 28, 31, 30, 31, 30, 31, 31, 30, 31, 30 /)\n INTEGER, SAVE :: IMONTH = 0\n\n REAL, ALLOCATABLE, SAVE :: ETOT_SFC ( : ) ! total downward irradiance at sfc [ Watts / m**2 ]\n REAL, ALLOCATABLE, SAVE :: TAUO3_TOP( : ) ! optical depth of ozone above model domain\n REAL, ALLOCATABLE, SAVE :: TAU_RAY ( : ) ! Rayleigh optical depth above model domain\n REAL, ALLOCATABLE, SAVE :: TAUC_AERO( :,: ) ! aerosol optical depth at layer bottom\n REAL, ALLOCATABLE, SAVE :: TAU_TOT ( :,: ) ! total optical depth at layer bottom\n REAL, ALLOCATABLE, SAVE :: TAU_CLOUD( :,: ) ! cloud optical depth at layer bottom\n\n REAL, ALLOCATABLE, SAVE :: SSA ( : ) ! aerosol single scattering albedo, column average\n\n REAL MSCALE ! combined factor to scale ppm to Molecules / cm**3\n ! and correct for ambient temperaure and pressure\n\n! FSB new arrays for new on-line cloud version\n\n REAL, ALLOCATABLE, SAVE :: LWC ( : ) ! cloud liquid water content [ g/m**3 ]\n REAL, ALLOCATABLE, SAVE :: RWC ( : ) ! rain water content [ g/m**3 ]\n REAL, ALLOCATABLE, SAVE :: IWC ( : ) ! ice liquid water content [ g/m**3 ]\n REAL, ALLOCATABLE, SAVE :: SWC ( : ) ! snow content [ g/m**3 ]\n REAL, ALLOCATABLE, SAVE :: GWC ( : ) ! graupel content [ g/m**3 ]\n REAL, ALLOCATABLE, SAVE :: CLDFRAC( : ) ! fractional cloud cover\n REAL, ALLOCATABLE, SAVE :: BLKPRS ( : ) ! Air pressure in [ Pa ]\n REAL, ALLOCATABLE, SAVE :: BLKTA ( : ) ! Air temperature [ K ]\n REAL, ALLOCATABLE, SAVE :: BLKDENS( : ) ! Air density [ molecules / m**3 ]\n REAL, ALLOCATABLE, SAVE :: BLKZH ( : ) ! layer half-height [ m ]\n REAL, ALLOCATABLE, SAVE :: BLKO3 ( : ) ! O3 concentration [ molecules/cm**3 ]\n REAL, ALLOCATABLE, SAVE :: BLKNO2 ( : ) ! NO2 concentration [ molecules/cm**3 ]\n REAL, ALLOCATABLE, SAVE :: BLKZF ( : ) ! layer full-height [ m ]\n\n REAL, ALLOCATABLE, SAVE :: BLKRJ_RES( :, : ) ! photolysis rates\n REAL, ALLOCATABLE, SAVE :: BLKRJ_ACM( :, : ) ! photolysis rates\n\n LOGICAL, ALLOCATABLE, SAVE :: CLOUDS( : ) ! Does layer have clouds?\n LOGICAL :: NEW_PROFILE ! Has atmospheric temperature and density profile changed?\n LOGICAL :: DARK ! Are this processor's cells in darkness?\n\n!...Variables for diagnostic outputs\n\n REAL, ALLOCATABLE, SAVE :: N_EXCEED_TROPO3( :,: ) ! Number of adjustments tropospheric ozone optical depth\n\n REAL, ALLOCATABLE, SAVE :: TOTAL_OC( :,: ) ! total ozone column [DU]\n REAL, ALLOCATABLE, SAVE :: TROPO_OC( :,: ) ! tropospheric ozone column [DU]\n REAL, ALLOCATABLE, SAVE :: NO2_COLUMN ( :,: ) ! tropospheric NO2 column []\n REAL, ALLOCATABLE, SAVE :: CO_COLUMN ( :,: ) ! tropospheric CO column []\n REAL, ALLOCATABLE, SAVE :: HCHO_COLUMN( :,: ) ! tropospheric HCHO column [DU]\n REAL, ALLOCATABLE, SAVE :: SO2_COLUMN ( :,: ) ! tropospheric SO2 column [DU]\n REAL, ALLOCATABLE, SAVE :: TROPO_O3_EXCEED( :,: ) ! Factor used to adjust tropospheric ozone optical depth\n REAL, ALLOCATABLE, SAVE :: TRANSMIS_DIFFUSE( :,: ) ! diffuse transmission coefficient at surface\n REAL, ALLOCATABLE, SAVE :: TRANSMIS_DIRECT( :,: ) ! direct transmission coefficient at surface\n REAL, ALLOCATABLE, SAVE :: REFLECT_COEFF( :,: ) ! reflection coefficient at top of atmosphere\n REAL, ALLOCATABLE, SAVE :: TAU_AERO_WL ( :,:,: ) ! total aerosol optical depth\n REAL, ALLOCATABLE, SAVE :: TAU_ABS_AERO( :,:,: ) ! aerosol absorpion optical depth\n REAL, ALLOCATABLE, SAVE :: TAU_CLOUD_WL( :,:,: ) ! total cloud optical depth\n REAL, ALLOCATABLE, SAVE :: CLR_TRANSMISSION( :,: ) ! diffuse transmission coefficient of clouds\n REAL, ALLOCATABLE, SAVE :: CLR_REFLECTION ( :,: ) ! reflection coefficient of cloud\n REAL, ALLOCATABLE, SAVE :: CLR_TRANS_DIRECT( :,: ) ! direct transmission coefficient of clouds\n#ifdef phot_debug\n REAL, ALLOCATABLE, SAVE :: ASY_CLOUD_WL( :,:,: ) ! columm average of cloud asymmetry factor\n REAL, ALLOCATABLE, SAVE :: SSA_CLOUD_WL( :,:,: ) ! columm average of cloud single scattering albedo\n#endif\n REAL, ALLOCATABLE, SAVE :: TAU_TOT_WL ( :,:,: ) ! total optical depth\n REAL, ALLOCATABLE, SAVE :: TAUO3_TOP_WL( :,:,: ) ! optical depth of ozone above model domain\n\n REAL, ALLOCATABLE, SAVE :: AERO_SCAT ( :,:,:,: ) ! aerosol scattering for layer [1/Km]\n REAL, ALLOCATABLE, SAVE :: AERO_ASYM ( :,:,:,: ) ! aerosol asymmetry factor\n REAL, ALLOCATABLE, SAVE :: TOT_EXT ( :,:,:,: ) ! total extinction for layer [1/Km]\n REAL, ALLOCATABLE, SAVE :: GAS_EXT ( :,:,:,: ) ! clear sky extinction for layer [1/Km]\n REAL, ALLOCATABLE, SAVE :: AERO_EXT ( :,:,:,: ) ! aerosol extinction for layer [1/Km]\n REAL, ALLOCATABLE, SAVE :: ACTINIC_FX( :,:,:,: ) ! net actinic flux [watts/m**2]\n REAL, ALLOCATABLE, SAVE :: OUTPUT_BUFF ( :,:,: ) ! output buffer for DIAG2 and DIAG3 files\n\n#ifdef mpas\n! this is for creating the output name list\n character (512) :: fname\n character (30), allocatable, save :: name_list(:)\n character (30) :: oname\n character (120) :: buf, buf2\n integer, save :: loc_n\n integer :: loc_nvars, stat, k, fnum\n logical :: found\n character (20) :: time_stamp\n\n integer, save :: gcount = 0\n#endif\n\n INTERFACE\n SUBROUTINE O3TOTCOL ( LATITUDE, LONGITUDE, JDATE, JTIME, OZONE )\n INTEGER, INTENT( IN ) :: JDATE ! Julian day of the year (yyyyddd)\n INTEGER, INTENT( IN ) :: JTIME ! time (hhmmss)\n REAL, INTENT( IN ) :: LATITUDE ! latitude of point on earth's surface\n REAL, INTENT( IN ) :: LONGITUDE ! longitude of point on earth's surface\n REAL, INTENT( INOUT ) :: OZONE ! total column ozone [DU]\n END SUBROUTINE O3TOTCOL\n SUBROUTINE CONVCLD_PROP_ACM( JDATE, JTIME, TSTEP )\n INTEGER, INTENT( IN ) :: JDATE\n INTEGER, INTENT( IN ) :: JTIME\n INTEGER, INTENT( IN ) :: TSTEP( 3 )\n END SUBROUTINE CONVCLD_PROP_ACM\n END INTERFACE\n\n! ----------------------------------------------------------------------\n\n IF ( FIRSTIME ) THEN\n\n FIRSTIME = .FALSE.\n\n TSTEP = TIME2SEC( DTSTEP( 1 ) ) ! output timestep for phot diagnostic files\n\n!...Set flag to initialize calculating aerosol extinction at 550 nm via Angstrom Exponents\n CALCULATE_EXT_550 = .TRUE. !PHOTDIAG\n\n#ifdef mpas\n PECOL_OFFSET = 0\n PEROW_OFFSET = 0\n#else\n PECOL_OFFSET = COLSD_PE( 1, MYPE+1 ) - 1\n PEROW_OFFSET = ROWSD_PE( 1, MYPE+1 ) - 1\n#endif\n\n CALL INIT_PHOT_SHARED()\n\n!...Allocate array needed to calculation aerosol and cloud optical properties\n\n CALL INIT_AERO_DATA( )\n\n CALL INIT_CLOUD_OPTICS( )\n\n! set cosine values for sun effectively below horizon\n COS85 = COS( 85.0 * PI180 )\n\n!...Initialize Surface albedo method\n\n IF ( .NOT. INITIALIZE_ALBEDO( JDATE, JTIME ) ) THEN\n XMSG = 'Failure initializing photolysis surface albedo algorithm'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n ALLOCATE( ETOT_SFC ( NWL ) )\n\n ALLOCATE( LWC ( NLAYS ) )\n ALLOCATE( RWC ( NLAYS ) )\n ALLOCATE( IWC ( NLAYS ) )\n ALLOCATE( SWC ( NLAYS ) )\n ALLOCATE( GWC ( NLAYS ) )\n ALLOCATE( BLKPRS ( NLAYS ) )\n ALLOCATE( BLKTA ( NLAYS ) )\n ALLOCATE( BLKDZ ( NLAYS ) )\n ALLOCATE( BLKDENS( NLAYS ) )\n ALLOCATE( BLKZH ( NLAYS ) )\n ALLOCATE( BLKO3 ( NLAYS ) )\n ALLOCATE( BLKNO2 ( NLAYS ) )\n ALLOCATE( BLKZF ( NLAYS+1 ) )\n ALLOCATE( CLOUDS ( NLAYS ) )\n ALLOCATE( CLDFRAC( NLAYS ) )\n\n ALLOCATE( BLKRJ_RES( NLAYS,NPHOTAB ) )\n ALLOCATE( BLKRJ_ACM( NLAYS,NPHOTAB ) )\n\n ALLOCATE( TAUO3_TOP( NWL ) )\n ALLOCATE( TAU_RAY ( NWL ) )\n ALLOCATE( SSA ( NWL ) )\n\n ALLOCATE( TAU_CLOUD( NLAYS,NWL ) )\n ALLOCATE( TAUC_AERO( NLAYS,NWL ) )\n ALLOCATE( TAU_TOT ( NLAYS,NWL ) )\n\n ALLOCATE( TOTAL_OC ( NCOLS,NROWS ) )\n ALLOCATE( TAU_ABS_AERO_550( NCOLS,NROWS ) )\n ALLOCATE( TAU_AERO_550 ( NCOLS,NROWS ) )\n TAU_AERO_550 = 0.0\n TAU_ABS_AERO_550 = 0.0\n\n IF ( PHOTDIAG ) THEN\n\n ALLOCATE( TROPO_OC ( NCOLS,NROWS ) )\n ALLOCATE( CO_COLUMN ( NCOLS,NROWS ) )\n ALLOCATE( SO2_COLUMN ( NCOLS,NROWS ) )\n ALLOCATE( NO2_COLUMN ( NCOLS,NROWS ) )\n ALLOCATE( HCHO_COLUMN( NCOLS,NROWS ) )\n ALLOCATE( TROPO_O3_EXCEED( NCOLS,NROWS ) )\n ALLOCATE( N_EXCEED_TROPO3( NCOLS,NROWS ) )\n ALLOCATE( TRANSMIS_DIFFUSE( NCOLS,NROWS ) )\n ALLOCATE( TRANSMIS_DIRECT ( NCOLS,NROWS ) )\n ALLOCATE( REFLECT_COEFF ( NCOLS,NROWS ) )\n ALLOCATE( CLR_TRANSMISSION( NCOLS,NROWS ) )\n ALLOCATE( CLR_TRANS_DIRECT( NCOLS,NROWS ) )\n ALLOCATE( CLR_REFLECTION ( NCOLS,NROWS ) )\n ALLOCATE( TAU_AERO_WL ( NCOLS,NROWS,NWL ) )\n ALLOCATE( TAU_ABS_AERO ( NCOLS,NROWS,NWL ) )\n ALLOCATE( TAU_CLOUD_WL ( NCOLS,NROWS,NWL ) )\n#ifdef phot_debug\n ALLOCATE( SSA_CLOUD_WL( NCOLS,NROWS,NWL ) )\n ALLOCATE( ASY_CLOUD_WL( NCOLS,NROWS,NWL ) )\n#endif\n ALLOCATE( TAU_TOT_WL ( NCOLS,NROWS,NWL ) )\n ALLOCATE( TAUO3_TOP_WL( NCOLS,NROWS,NWL ) )\n\n N_EXCEED_TROPO3 = 0.0\n TROPO_O3_EXCEED = 0.0\n TSTEP_COUNT = 0\n TROPO_OC = 0.0\n CO_COLUMN = 0.0\n SO2_COLUMN = 0.0\n NO2_COLUMN = 0.0\n HCHO_COLUMN = 0.0\n TAU_ABS_AERO = 0.0\n \n \n!...write wavelength data to a character array\n\n ALLOCATE ( WLTXT( NWL ) )\n\n DO IWL = 1, NWL\n WRITE( WLTXT( IWL ),'(I3.3)' ) INT( WAVELENGTH( IWL ) )\n END DO\n\n! get wanted number of layers for PHOTDIAG2 and PHOTDIAG3 files \n IF ( NLAYS_DIAG .EQ. 0 ) NLAYS_DIAG = NLAYS\n NLAYS_DIAG = MAX( 1, MIN( NLAYS_DIAG, NLAYS))\n\n! get wanted wavelengths for PHOTDIAG2 and PHOTDIAG3 files\n ALLOCATE( WAVE_LIST( NWL ) )\n WAVE_LIST( : ) = ''\n IF ( NWAVE .GT. NWL )\n & CALL LOG_MESSAGE( LOGDEV, 'Error: the number of ' //\n & 'wavelengths the user has requested for diagnostic ' //\n & 'photolysis output exceeds the number of internal model ' //\n & 'wavelengths.' )\n IF ( NWAVE .EQ. 0 ) THEN ! use all wavelenghts\n N_DIAG_WVL = NWL\n ALLOCATE ( DIAG_WVL( N_DIAG_WVL ) , STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating DIAG_WVL'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n DO IWL = 1, NWL\n DIAG_WVL( IWL ) = IWL\n END DO\n WRITE(LOGDEV,'(5X,A,I3)')'Environment Variable NWAVE_PHOTDIAG not found '\n & // 'setting PHOTDIAG2 and PHOTDIAG3 to output all wavelengths. Integer '\n & // 'truncated values are below.'\n DO IWL = 1, N_DIAG_WVL\n SPC = DIAG_WVL( IWL )\n WRITE(LOGDEV,'(5X,I3,1X,A16)')IWL, WLTXT(SPC)\n END DO\n ELSE ! use the environment list\n WAVE_LIST( 1:NWAVE ) = WAVE_ENV( 1:NWAVE )\n N_DIAG_WVL = 0\n ! first remove identical values\n DO V = 1, NWAVE-1\n DO L = (V+1), NWAVE\n IF( TRIM( WAVE_LIST( V ) ) .EQ. TRIM( WAVE_LIST( L ) ) )THEN\n WAVE_LIST( L ) = \" \"\n END IF\n END DO\n END DO\n ! Now count number of unique values\n DO V = 1, NWAVE\n IF( LEN_TRIM( WAVE_LIST( V ) ) .GT. 0 )N_DIAG_WVL = N_DIAG_WVL + 1\n END DO\n ALLOCATE ( DIAG_WVL( N_DIAG_WVL ) , STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating DIAG_WVL'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n ! Next find unique list value in wavelenght spectrum\n IWL = 0\n DO V = 1, NWAVE\n IF( LEN_TRIM( WAVE_LIST( V ) ) .LT. 1 )CYCLE\n IWL = IWL + 1\n DIAG_WVL( IWL ) = INDEXR ( TRIM( WAVE_LIST( V ) ), NWL, WLTXT )\n IF ( DIAG_WVL( IWL ) .LT. 1 ) THEN\n WRITE(LOGDEV,'(5X,A)')'PHOT: Cannot find requested wavelength, '\n & // TRIM( WAVE_LIST( IWL ) ) // ' for DIAG2 and DIAG3 files '\n & // ' in spectrum '\n END IF\n END DO\n IF( MINVAL( DIAG_WVL ) .LT. 1 )THEN\n XMSG = 'FAILED TO find the above requested wavelenght spectrum '\n WRITE( LOGDEV,'(5X,A)')XMSG\n XMSG = 'Permitted integer truncated values of wavelenght spectrum '\n DO IWL = 1, NWL\n WRITE(LOGDEV,'(10X,I3,1X,A16)')IWL, WLTXT(IWL)\n END DO\n XMSG = 'ERROR using the environment variable, NWAVE_PHOTDIAG '\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n ELSE\n WRITE(LOGDEV,'(5X,A,I3)')'Environment Variable NWAVE_PHOTDIAG found '\n & // 'setting PHOTDIAG2 and PHOTDIAG3 to output below wavelenghts'\n DO IWL = 1, N_DIAG_WVL\n SPC = DIAG_WVL( IWL )\n WRITE(LOGDEV,'(5X,I3,1X,A16)')IWL, WLTXT(SPC)\n END DO\n END IF\n END IF\n WRITE(LOGDEV,'(/)')\n\n\n ALLOCATE ( AERO_ASYM( NCOLS,NROWS,NLAYS_DIAG,N_DIAG_WVL ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating 3D AERO_ASYM'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n ALLOCATE ( AERO_SCAT( NCOLS,NROWS,NLAYS_DIAG,N_DIAG_WVL ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating 3D AERO_SCAT'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n ALLOCATE ( AERO_EXT( NCOLS,NROWS,NLAYS_DIAG,N_DIAG_WVL ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating 3D AERO_EXT'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n ALLOCATE ( TOT_EXT( NCOLS,NROWS,NLAYS_DIAG,N_DIAG_WVL ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating 3D TOT_EXT'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n ALLOCATE ( GAS_EXT( NCOLS,NROWS,NLAYS_DIAG,N_DIAG_WVL ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating 3D GAS_EXT'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n ALLOCATE ( ACTINIC_FX( NCOLS,NROWS,NLAYS_DIAG,N_DIAG_WVL ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating ACTINIC_FX'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n ALLOCATE ( OUTPUT_BUFF( NCOLS,NROWS,NLAYS_DIAG ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating OUTPUT_BUFF'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n VARNM = 'CO'\n LGC_CO = INDEX1( VARNM, N_GC_SPC, GC_SPC )\n IF ( LGC_CO .LE. 0 ) THEN\n XMSG = 'Could not find ' // VARNM // 'in species table'\n CALL M3WARN ( PNAME, JDATE, JTIME, XMSG )\n WRITE(LOGDEV,95101)\n END IF\n \n VARNM = 'SO2'\n LGC_SO2 = INDEX1( VARNM, N_GC_SPC, GC_SPC )\n IF ( LGC_SO2 .LE. 0 ) THEN\n XMSG = 'Could not find ' // VARNM // 'in species table'\n CALL M3WARN ( PNAME, JDATE, JTIME, XMSG )\n WRITE(LOGDEV,95101)\n END IF\n \n VARNM = 'HCHO'\n LGC_HCHO = INDEX1( VARNM, N_GC_SPC, GC_SPC )\n IF ( LGC_HCHO .LE. 0 ) THEN\n VARNM = 'FORM'\n LGC_HCHO = INDEX1( VARNM, N_GC_SPC, GC_SPC )\n IF ( LGC_HCHO .LE. 0 ) THEN\n XMSG = 'Could not find HCHO or FORM, i.e., formaldehyde, in species table'\n CALL M3WARN ( PNAME, JDATE, JTIME, XMSG )\n WRITE(LOGDEV,95101)\n END IF\n END IF\n \n!...open the photolysis diagnostic files\n ODATE = START_DATE; OTIME = START_TIME; OSTEP = 0\n#ifndef mpas\n#ifdef phot_write_start\n IF ( IO_PE_INCLUSIVE ) CALL OPPHOT ( ODATE, OTIME, DTSTEP( 1 ) )\n#else\n CALL NEXTIME ( ODATE, OTIME, DTSTEP( 1 ) ) ! output timestamp ending time\n IF ( IO_PE_INCLUSIVE ) CALL OPPHOT ( ODATE, OTIME, DTSTEP( 1 ) )\n! reset ODATE and OTIME for counting \n ODATE = START_DATE; OTIME = START_TIME\n#endif\n#endif\n\n END IF ! photdiag\n#ifndef mpas\n CALL SUBST_BARRIER\n#endif\n\n ALLOCATE ( AERO_EXT_550( NCOLS,NROWS,NLAYS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating 3D AERO_EXT_550'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n \n!...set pointers to species O3 and NO2 in CGRID\n\n VARNM = 'O3'\n LGC_O3 = INDEX1( VARNM, N_GC_SPC, GC_SPC )\n IF ( LGC_O3 .LE. 0 ) THEN\n XMSG = 'Could not find ' // VARNM // 'in species table'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT3 )\n END IF\n\n VARNM = 'NO2'\n LGC_NO2 = INDEX1( VARNM, N_GC_SPC, GC_SPC )\n IF ( LGC_NO2 .LE. 0 ) THEN\n XMSG = 'Could not find ' // VARNM // 'in species table'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT3 )\n END IF\n\n#ifdef mpas\n! this is for creating the output name list\n found = .false.\n fnum = 0\n do while ((.not. found) .and. (fnum < mio_outfile_def_info%num_of_file_definitions))\n fnum = fnum + 1\n if ('CTM_OUT' == mio_outfile_def_info%flist(fnum)%fname) then\n found = .true.\n end if\n end do\n if (.not. found) then\n write (logdev, *) ' Abort: file CTM_OUT not on the file_input.txt'\n stop\n end if\n\n loc_nvars = mio_outfile_def_info%flist(fnum)%nvars\n\n loc_n = 0\n if (found) then\n allocate (name_list(loc_nvars), stat=stat)\n do n = 1, loc_nvars\n buf = mio_outfile_def_info%flist(fnum)%vlist(n)\n found = .false.\n k = 0\n do while (.not. found)\n k = k + 1\n if (buf(k:k) == ' ') then\n found = .true.\n end if\n end do\n if (buf(1:3) == 'PD_') then\n loc_n = loc_n + 1\n name_list(loc_n) = buf(4:k-1)\n end if\n end do\n end if\n#endif\n\n\n END IF ! firstime\n\n IF ( INT ( JD_STRAT_O3MIN ) .NE. JDATE ) THEN\n!...set minimum fraction of ozone column above PTOP\n CALL SEASONAL_STRAT_O3( JDATE, JTIME )\n MIN_STRATO3_FRAC = MONTH_STRAT_03_FRAC\n MAX_TROPOO3_FRAC = MAX( 1.0 - MONTH_STRAT_03_FRAC, 0.0 )\n JD_STRAT_O3MIN = REAL( JDATE, 4)\n END IF\n!...initialize variables tracking whether stratosphere ozone column satisfies\n!...climatological averages.\n\n O3_TOGGLE_AVE = 0.0\n O3_TOGGLE_MIN = 1.0\n N_TROPO_O3_TOGGLE = 0\n TSTEP_COUNT = TSTEP_COUNT + 1\n\n MIDDATE = JDATE\n MIDTIME = JTIME\n ITMSTEP = TIME2SEC( DTSTEP( 2 ) ) / 2\n CALL NEXTIME( MIDDATE, MIDTIME, SEC2TIME( ITMSTEP ) )\n\n CALL CONVCLD_PROP_ACM( JDATE, JTIME, DTSTEP )\n CALL GET_PHOT_MET( JDATE, JTIME, MIDDATE, MIDTIME )\n\n!...Get cosine of solar parameters and set DARK\n\n CALL UPDATE_SUN( JDATE, JTIME, MIDDATE, MIDTIME )\n\n RSQD = DIST_TO_SUN * DIST_TO_SUN\n\n IF ( MAXVAL( COSINE_ZENITH ) .LE. 0.0 ) THEN\n DARK = .TRUE.\n ELSE\n DARK = .FALSE.\n END IF\n\n!...set surface albedos\n\n CALL GET_ALBEDO( MIDDATE, MIDTIME, COSINE_ZENITH, LAT, LON )\n\n!...SA Write COSINE_ZENITH array at the end of each output tstep\n\n JTIME_CHK = .FALSE.\n OSTEP = OSTEP + TIME2SEC( DTSTEP( 2 ) )\n JTIME_CHK = ( OSTEP .GE. TIME2SEC( DTSTEP( 1 ) ) )\n IF ( JTIME_CHK ) THEN \n OSTEP = 0\n CALL NEXTIME( ODATE, OTIME, DTSTEP( 1 ) )\n END IF\n#ifdef phot_write_start\n JTIME_CHK = ( ODATE .EQ. STDATE .AND. OTIME .EQ. STTIME )\n#endif \n\n IF ( PHOTDIAG ) THEN\n#ifdef parallel_io\n IF ( .NOT. IO_PE_INCLUSIVE ) THEN\n IF ( .NOT. OPEN3( CTM_RJ_1, FSREAD3, PNAME ) ) THEN\n XMSG = 'Could not open ' // TRIM(CTM_RJ_1)\n CALL M3EXIT( PNAME, ODATE, OTIME, XMSG, XSTAT1 )\n END IF\n IF ( .NOT. OPEN3( CTM_RJ_2, FSREAD3, PNAME ) ) THEN\n XMSG = 'Could not open ' // TRIM(CTM_RJ_2)\n CALL M3EXIT( PNAME, ODATE, OTIME, XMSG, XSTAT1 )\n END IF\n IF ( .NOT. OPEN3( CTM_RJ_3, FSREAD3, PNAME ) ) THEN\n XMSG = 'Could not open ' // TRIM(CTM_RJ_3)\n CALL M3EXIT( PNAME, ODATE, OTIME, XMSG, XSTAT1 )\n END IF\n END IF\n#endif\n END IF\n\n CALCULATE_EXT_550 = .TRUE. !JTIME_CHK\n\n!...If sun below horizon at all cells, zero photolysis rates & exit\n!... (assumes sun below horizon at *all* levels!)\n\n IF ( DARK ) THEN\n\n RJ = 0.0\n RJ_SUB = 0.0\n RJ_RES = 0.0\n ETOT_SFC_WL = 0.0\n AERO_EXT_550 = 0.0\n TAU_AERO_550 = 0.0\n TAU_ABS_AERO_550 = 0.0\n\n!...Initialize ETOT_SFC, TAU_AERO, TAU_TOT, TAUO3_TOP to 0.0\n\n!...Write data to output diagnostic file\n\n IF ( JTIME_CHK .AND. PHOTDIAG ) THEN\n\n TAUO3_TOP_WL = 0.0\n TAU_AERO_WL = 0.0\n TAU_ABS_AERO = 0.0\n TAU_CLOUD_WL = 0.0\n#ifdef phot_debug\n SSA_CLOUD_WL = 0.0\n ASY_CLOUD_WL = 0.0\n#endif\n TAU_TOT_WL = 0.0\n TOT_EXT = 0.0\n GAS_EXT = 0.0\n AERO_EXT = 0.0\n AERO_SCAT = 0.0\n AERO_ASYM = 0.0\n ACTINIC_FX = 0.0\n\n TRANSMIS_DIFFUSE = 0.0\n TRANSMIS_DIRECT = 0.0\n REFLECT_COEFF = 0.0\n CLR_TRANSMISSION = 0.0\n CLR_TRANS_DIRECT = 0.0\n CLR_REFLECTION = 0.0\n\n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n BLKDENS( 1 ) = DENS ( COL,ROW,1 ) * DENS_CONV ! [molecules / cm**3]\n BLKDZ ( 1 ) = ZFULL( COL,ROW,1 )\n DO L = 2, NLAYS\n BLKDENS( L ) = DENS( COL,ROW,L ) * DENS_CONV ! [molecules / cm**3]\n BLKDZ ( L ) = ZFULL( COL,ROW,L ) - ZFULL( COL,ROW,L-1 )\n END DO\n MSCALE = 1.0E-19 ! 100.0*10E-15*PPM_MCM3, so units are petamolecules/cm2\n CALL COLUMN_GAS( IGAS=LGC_CO, UNIT_FACTOR=MSCALE, COLUMN_DENSITY=CO_COLUMN )\n CALL COLUMN_GAS( IGAS=LGC_SO2, UNIT_FACTOR=MSCALE, COLUMN_DENSITY=SO2_COLUMN )\n CALL COLUMN_GAS( IGAS=LGC_NO2, UNIT_FACTOR=MSCALE, COLUMN_DENSITY=NO2_COLUMN )\n CALL COLUMN_GAS( IGAS=LGC_HCHO, UNIT_FACTOR=MSCALE, COLUMN_DENSITY=HCHO_COLUMN )\n MSCALE = 1.0E-4 * CONC_TO_DU ! so units are Dobsons\n CALL COLUMN_GAS( IGAS=LGC_O3, UNIT_FACTOR=MSCALE, COLUMN_DENSITY=TROPO_OC ) \n!...get total ozone column based on OMI observations\n CALL O3TOTCOL ( LAT( COL,ROW ), LON( COL,ROW ), MIDDATE, MIDTIME, TOTAL_OC( COL,ROW ) )\n END DO\n END DO \n ELSE\n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n!...get total ozone column based on OMI observations\n CALL O3TOTCOL ( LAT( COL,ROW ), LON( COL,ROW ), MIDDATE,MIDTIME, TOTAL_OC( COL,ROW ) )\n END DO\n END DO\n END IF ! if JTIME_CHK and PHOTDIAG\n\n ELSE ! all cells not dark\n \n!...MAIN loop over all rows and columns\n LOOP_ROWS: DO ROW = 1, NROWS\n LOOP_COLS: DO COL = 1, NCOLS\n\n PHOT_COL = COL + PECOL_OFFSET\n PHOT_ROW = ROW + PEROW_OFFSET\n\n COSZEN = COSINE_ZENITH( COL,ROW ) ! local cosine of solar zenith angle\n\n TAU_AERO_550( COL,ROW ) = 0.0\n AERO_EXT_550( COL,ROW,: ) = 0.0\n TAU_ABS_AERO_550( COL,ROW ) = 0.0\n IF ( COSZEN .LE. 0.0 ) THEN\n!...the cell is dark: set variables to zero and cycle\n RJ( COL,ROW, :,: ) = 0.0\n RJ_RES( COL,ROW, :,: ) = 0.0\n RJ_SUB( COL,ROW, :,: ) = 0.0\n ETOT_SFC_WL ( COL,ROW, : ) = 0.0\n\n IF ( JTIME_CHK .AND. PHOTDIAG ) THEN\n TAUO3_TOP_WL( COL,ROW, : ) = 0.0\n TAU_AERO_WL ( COL,ROW, : ) = 0.0\n TAU_ABS_AERO( COL,ROW, : ) = 0.0\n TAU_CLOUD_WL( COL,ROW, : ) = 0.0\n#ifdef phot_debug\n SSA_CLOUD_WL( COL,ROW, : ) = 0.0\n ASY_CLOUD_WL( COL,ROW, : ) = 0.0\n#endif\n TAU_TOT_WL ( COL,ROW, : ) = 0.0\n TOT_EXT ( COL,ROW, :,: ) = 0.0\n GAS_EXT ( COL,ROW, :,: ) = 0.0\n AERO_EXT ( COL,ROW, :,: ) = 0.0\n AERO_SCAT ( COL,ROW, :,: ) = 0.0\n AERO_ASYM ( COL,ROW, :,: ) = 0.0\n ACTINIC_FX ( COL,ROW, :,: ) = 0.0\n\n! TROPO_O3_EXCEED( COL,ROW ) = 0.0\n TRANSMIS_DIFFUSE( COL,ROW ) = 0.0\n TRANSMIS_DIRECT ( COL,ROW ) = 0.0\n REFLECT_COEFF ( COL,ROW ) = 0.0\n CLR_TRANSMISSION( COL,ROW ) = 0.0\n CLR_TRANS_DIRECT( COL,ROW ) = 0.0\n CLR_REFLECTION ( COL,ROW ) = 0.0\n \n BLKDENS( 1 ) = DENS ( COL,ROW,1 ) * DENS_CONV ! [molecules / cm**3]\n BLKDZ ( 1 ) = ZFULL( COL,ROW,1 )\n DO L = 2, NLAYS\n BLKDENS( L ) = DENS( COL,ROW,L ) * DENS_CONV ! [molecules / cm**3]\n BLKDZ ( L ) = ZFULL( COL,ROW,L ) - ZFULL( COL,ROW,L-1 )\n END DO\n MSCALE = 1.0E-19 ! 100.0*10E-15*PPM_MCM3, so units are petamolecules/cm2\n CALL COLUMN_GAS( IGAS=LGC_CO, UNIT_FACTOR=MSCALE, COLUMN_DENSITY=CO_COLUMN )\n CALL COLUMN_GAS( IGAS=LGC_SO2, UNIT_FACTOR=MSCALE, COLUMN_DENSITY=SO2_COLUMN )\n CALL COLUMN_GAS( IGAS=LGC_NO2, UNIT_FACTOR=MSCALE, COLUMN_DENSITY=NO2_COLUMN )\n CALL COLUMN_GAS( IGAS=LGC_HCHO, UNIT_FACTOR=MSCALE, COLUMN_DENSITY=HCHO_COLUMN )\n MSCALE = 1.0E-4 * CONC_TO_DU ! so units are Dobsons\n CALL COLUMN_GAS( IGAS=LGC_O3, UNIT_FACTOR=MSCALE, COLUMN_DENSITY=TROPO_OC ) \n!...get total ozone column based on OMI observations\n CALL O3TOTCOL ( LAT( COL,ROW ), LON( COL,ROW ), MIDDATE, MIDTIME, TOTAL_OC( COL,ROW ) )\n END IF \n\n CYCLE LOOP_COLS\n\n END IF\n\n!...initialize BLKRJ using F90 array operations.\n\n BLKRJ_RES = 0.0\n BLKRJ_ACM = 0.0\n\n!...Set height of lowest level to zero\n\n BLKZF( 1 ) = 0.0\n\n ZSFC = HT( COL,ROW ) ! surface height [m]\n SINZEN = SQRT( 1.0 - COSZEN * COSZEN ) ! sine of zenith angle\n\n!...get total ozone column based on OMI observations\n CALL O3TOTCOL ( LAT( COL,ROW ), LON( COL,ROW ), MIDDATE, MIDTIME, TOTAL_O3_COLUMN )\n\n IF ( USE_ACM_CLOUD .OR. CLDATT ) THEN\n OWATER_FRAC = MAX( ( 1.0 - SEAICE( COL,ROW ) ), 0.0 )\n & * WATER_FRACTION( COL,ROW )\n SEAICE_FRAC = SEAICE( COL,ROW ) * WATER_FRACTION( COL,ROW )\n SNOW_FRAC = SNOCOV( COL,ROW )\n COL_CLOUD = PHOT_COL\n ROW_CLOUD = PHOT_ROW\n END IF\n\n!...loop over vertical layers ambient air conditions and gas concentration\n DO L = 1, NLAYS\n!...Fetch the grid cell ambient data at each layer.\n\n BLKTA ( L ) = TA ( COL,ROW,L ) ! temperature [K]\n BLKPRS ( L ) = PRES ( COL,ROW,L ) / STDATMPA ! [atmospheres]\n BLKDENS( L ) = DENS ( COL,ROW,L ) * DENS_CONV ! [molecules / cm**3]\n BLKZH ( L ) = ZM ( COL,ROW,L ) ! mid layer height [m]\n BLKZF ( L+1 ) = ZFULL( COL,ROW,L ) ! full layer height [m]\n\n!...set scale factor for [ppm] -> [molecule / cm**3]\n!... To go from ppm to molecule/cc:\n!... molecule/cc = ppm * 1.0E-06 * DENS (given in molecule/cc)\n\n MSCALE = BLKDENS( L ) * PPM_MCM3\n\n!...fetch ozone and no2 and convert to [ molecules / cm **3 ]\n!... and adjust the volume for ambient temperature and pressure.\n\n BLKO3 ( L ) = CGRID( COL,ROW,L,LGC_O3 ) * MSCALE\n BLKNO2( L ) = CGRID( COL,ROW,L,LGC_NO2 ) * MSCALE\n ZLEV = BLKZF( L )\n END DO ! loop on layers ambient conditions and gases\n\n IF ( CLDATT .AND. CFRAC_2D( COL,ROW ) .GT. 0.0 ) THEN\n DO L = 1, NLAYS\n\n IF ( CFRAC_3D( COL,ROW,L ) .GT. 0.0 ) THEN\n CLOUDS ( L ) = .TRUE.\n CLOUD_LAYERING( L ) = .TRUE.\n CLDFRAC( L ) = CFRAC_3D( COL,ROW,L )\n!... set hydrometeor concentrations for resolved cloud\n MSCALE = 1.0E+3 * DENS ( COL,ROW,L )\n IWC( L ) = MSCALE * QI( COL,ROW,L )\n GWC( L ) = MSCALE * QG( COL,ROW,L )\n SWC( L ) = MSCALE * QS( COL,ROW,L )\n LWC( L ) = MSCALE * QC( COL,ROW,L )\n RWC( L ) = MSCALE * QR( COL,ROW,L )\n ELSE\n CLOUDS ( L ) = .FALSE.\n CLOUD_LAYERING( L ) = .FALSE.\n CLDFRAC( L ) = 0.0\n IWC( L ) = 0.0\n GWC( L ) = 0.0\n SWC( L ) = 0.0\n LWC( L ) = 0.0\n RWC( L ) = 0.0\n END IF\n END DO ! loop on layers clouds\n! get optical properties of resolved cloud hydrometeors\n CALL GET_DROPLET_OPTICS( NLAYS, BLKTA, OWATER_FRAC, SEAICE_FRAC, SNOW_FRAC, LWC )\n CALL GET_ICE_OPTICS( NLAYS, BLKTA, IWC )\n CALL GET_AGGREGATE_OPTICS( NLAYS, RWC, SWC, GWC )\n ELSE\n CLOUDS = .FALSE.\n CLOUD_LAYERING = .FALSE.\n CLDFRAC = 0.0\n! hydrometeor concentrations\n LWC = 0.0\n IWC = 0.0\n RWC = 0.0\n SWC = 0.0\n RWC = 0.0\n CALL CLEAR_HYDROMETEOR_OPTICS()\n END IF\n\n!..calculate needed aerosol properties in column\n\n! IF ( CORE_SHELL ) THEN\n CALL GET_AERO_DATA ( COL,ROW, NLAYS, DENS, CGRID )\n! ELSE\n! CALL AERO_OPTICS_INTERNAL( COL,ROW, NLAYS, CGRID )\n! END IF\n\n! set surface albedo\n\n DO IWL = 1, NWL\n ALB( IWL ) = SURFACE_ALBEDO( IWL, COL,ROW )\n END DO\n!...calculate resolved-sky photolysis rates at all layers:\n\n NEW_PROFILE = .TRUE.\n ONLY_SOLVE_RAD = .FALSE.\n\n CALL NEW_OPTICS ( JDATE, JTIME, NLAYS,\n & BLKTA, BLKPRS, BLKDENS, BLKZH, BLKZF,\n & BLKO3, BLKNO2,\n & ZSFC, COSZEN, SINZEN, RSQD,\n & NEW_PROFILE, CLOUDS, CLDFRAC,\n & BLKRJ_RES, TAUC_AERO, TAU_TOT, TAUO3_TOP,\n & TAU_RAY, SSA, TAU_CLOUD, TOTAL_O3_COLUMN )\n\n!...load diagnostic file arrays\n ! Aerosol extinction and optical depth are saved every\n ! time step\n FORALL ( L = 1:NLAYS )\n AERO_EXT_550( COL,ROW,L ) = 1000.0 * AERO_EXTI_550( L )\n END FORALL\n DO LEV = 1, NLAYS\n TAU_AERO_550 ( COL,ROW ) = TAU_AERO_550 ( COL,ROW )\n & + AERO_EXTI_550( LEV ) * BLKDZ( LEV )\n TAU_ABS_AERO_550 ( COL,ROW ) = TAU_ABS_AERO_550 ( COL,ROW )\n & + AERO_ABSO_550( LEV ) * BLKDZ( LEV )\n END DO\n\n IF ( PHOTDIAG .AND. .NOT. STRATO3_MINS_MET ) THEN\n N_EXCEED_TROPO3( COL,ROW ) = N_EXCEED_TROPO3( COL,ROW ) + 1.0\n TROPO_O3_EXCEED( COL,ROW ) = TROPO_O3_COLUMN/(MAX_TROPOO3_FRAC*TOTAL_O3_COLUMN) - 1.0\n & + TROPO_O3_EXCEED( COL,ROW )\n END IF\n\n FORALL ( IWL = 1:NWL )\n ETOT_SFC_WL ( COL,ROW,IWL ) = IRRADIANCE( 1,IWL )\n END FORALL \n\n IF ( JTIME_CHK .AND. PHOTDIAG ) THEN\n TOTAL_OC( COL,ROW ) = TOTAL_O3_COLUMN\n TRANSMIS_DIFFUSE( COL,ROW ) = TRANSMISSION\n TRANSMIS_DIRECT( COL,ROW ) = TRANS_DIRECT\n REFLECT_COEFF( COL,ROW ) = REFLECTION\n\n\n DO IWL = 1, NWL\n TAUO3_TOP_WL( COL,ROW,IWL ) = TAUO3_TOP( IWL )\n TAU_AERO_WL ( COL,ROW,IWL ) = TAUC_AERO( 1,IWL )\n TAU_ABS_AERO( COL,ROW,IWL ) = 0.0\n TAU_TOT_WL ( COL,ROW,IWL ) = TAU_TOT ( 1,IWL )\n TAU_CLOUD_WL( COL,ROW,IWL ) = TAU_CLOUD( 1,IWL )\n#ifdef phot_debug\n SSA_CLOUD_WL( COL,ROW,IWL ) = AVE_SSA_CLD ( IWL )\n ASY_CLOUD_WL( COL,ROW,IWL ) = AVE_ASYMM_CLD( IWL )\n#endif\n END DO\n\n DO IWL = 1, NWL\n DO LEV = 1, NLAYS\n TAU_ABS_AERO( COL,ROW,IWL ) = TAU_ABS_AERO( COL,ROW,IWL )\n & + AERO_ABSO_COEF( LEV,IWL ) * BLKDZ( LEV )\n END DO\n END DO\n\n DO L = 1, N_DIAG_WVL\n IWL = DIAG_WVL( L )\n FORALL ( LEV = 1:NLAYS_DIAG )\n ACTINIC_FX( COL,ROW,LEV,L ) = ACTINIC_FLUX( LEV,IWL )\n TOT_EXT ( COL,ROW,LEV,L ) = 1000.0 * EXTINCTION( LEV,IWL )\n GAS_EXT ( COL,ROW,LEV,L ) = 1000.0 * GAS_EXTINCTION( LEV,IWL )\n AERO_EXT( COL,ROW,LEV,L ) = 1000.0 * AERO_EXTI_COEF( LEV,IWL )\n AERO_SCAT ( COL,ROW,LEV,L ) = 1000.0 * AERO_SCAT_COEF( LEV,IWL )\n END FORALL\n FORALL ( LEV = 1:NLAYS_DIAG, AERO_EXTI_COEF( LEV,IWL ) .GT. EPSLON )\n AERO_ASYM( COL,ROW,LEV,L ) = AERO_ASYM_FAC( LEV,IWL )\n END FORALL\n FORALL ( LEV = 1:NLAYS_DIAG, AERO_EXTI_COEF( LEV,IWL ) .LE. EPSLON )\n AERO_ASYM( COL,ROW,LEV,L ) = 0.0\n END FORALL\n END DO\n IF ( COSZEN .LE. COS85 ) THEN \n ! calculate because NEW_OPTICS sets BLKDZ and TROPO_O3_COLUMN to zero\n BLKDZ( 1 ) = BLKZF( 2 )\n DO L = 2, NLAYS\n BLKDZ( L ) = BLKZF( L+1 ) - BLKZF( L )\n END DO\n MSCALE = 1.0E-4 * CONC_TO_DU ! so units are Dobsons\n CALL COLUMN_GAS( IGAS=LGC_O3, UNIT_FACTOR=MSCALE, COLUMN_DENSITY=TROPO_OC )\n ELSE\n TROPO_OC( COL,ROW ) = TROPO_O3_COLUMN\n END IF \n MSCALE = 1.0E-19 ! 100.0*10E-15*PPM_MCM3, so units are petamolecules/cm2\n CALL COLUMN_GAS( IGAS=LGC_CO, UNIT_FACTOR=MSCALE, COLUMN_DENSITY=CO_COLUMN )\n CALL COLUMN_GAS( IGAS=LGC_SO2, UNIT_FACTOR=MSCALE, COLUMN_DENSITY=SO2_COLUMN )\n CALL COLUMN_GAS( IGAS=LGC_NO2, UNIT_FACTOR=MSCALE, COLUMN_DENSITY=NO2_COLUMN )\n CALL COLUMN_GAS( IGAS=LGC_HCHO, UNIT_FACTOR=MSCALE, COLUMN_DENSITY=HCHO_COLUMN )\n END IF\n\n!Set Photolysis rates to resolved sky values\n FORALL ( L = 1:NLAYS, IPHOT = 1:NPHOTAB )\n RJ( COL,ROW, L,IPHOT ) = 60.0 * BLKRJ_RES( L,IPHOT )\n END FORALL ! Loop on layers and NPHOTAB\n FORALL ( L = 1:NLAYS, IPHOT = 1:NPHOTAB )\n RJ_RES( COL,ROW, L,IPHOT ) = 60.0 * BLKRJ_RES( L,IPHOT )\n END FORALL ! Loop on layers and NPHOTAB\n\n IF ( USE_ACM_CLOUD ) THEN\n IF ( ACM_CLOUDS( COL,ROW ) .GT. 0.0 ) THEN\n! save resolved sky reflection and transmission coefficients for possible latter use\n RES_SKY_REFLECT = REFLECTION\n RES_SKY_TRANS = TRANSMISSION\n RES_SKY_TRANSD = TRANS_DIRECT\n!...find the highest layer of the sub-grid (convective) cloud\n DO LEV = NLAYS, 1, -1\n IF ( ACM_CFRAC( LEV, COL,ROW ) .GT. 0.0 ) EXIT\n END DO\n!...replace the lower layers with sub-grid cloud properties\n DO L = 1, LEV\n SWC( L ) = 0.0\n IF ( ACM_CFRAC( L,COL,ROW ) .GT. 0.0 ) THEN\n CLOUDS ( L ) = .TRUE.\n CLDFRAC( L ) = 1.0\n MSCALE = 1.0E+3 * DENS ( COL,ROW, L )\n LWC( L ) = MSCALE * ACM_QC( L,COL,ROW )\n IWC( L ) = MSCALE * ACM_QI( L,COL,ROW )\n RWC( L ) = MSCALE * ACM_QR( L,COL,ROW )\n GWC( L ) = MSCALE * ACM_QG( L,COL,ROW )\n ELSE\n CLOUDS( L ) = .FALSE.\n CLDFRAC( L ) = 0.0\n LWC( L ) = 0.0\n IWC( L ) = 0.0\n RWC( L ) = 0.0\n GWC( L ) = 0.0\n END IF\n CLOUD_LAYERING( L ) = .FALSE.\n END DO\n\n! get optical properties of of subgrid cloud hydrometeors\n CALL GET_DROPLET_OPTICS( LEV, BLKTA, OWATER_FRAC, SEAICE_FRAC, SNOW_FRAC, LWC )\n CALL GET_ICE_OPTICS( LEV, BLKTA, IWC )\n CALL GET_AGGREGATE_OPTICS( LEV, RWC, SWC, GWC )\n\n!...calculate the acm-cloud photolysis rates for all layers:\n NEW_PROFILE = .FALSE.\n CALL NEW_OPTICS ( JDATE, JTIME, NLAYS,\n & BLKTA, BLKPRS, BLKDENS, BLKZH, BLKZF,\n & BLKO3, BLKNO2,\n & ZSFC, COSZEN, SINZEN, RSQD,\n & NEW_PROFILE, CLOUDS, CLDFRAC,\n & BLKRJ_ACM, TAUC_AERO, TAU_TOT, TAUO3_TOP,\n & TAU_RAY, SSA, TAU_CLOUD, TOTAL_O3_COLUMN )\n\n!...load diagnostic file arrays\n!...compute a cloud-fraction weighted average of ETOT_SFC and TAU_TOT\n!... note that both TAUC_AERO and TAUO3_TOP are the same for clear and\n!... cloudy regions\n MSCALE = MAX( 1.0 - ACM_CLOUDS( COL,ROW ), 0.0 )\n DO IWL = 1, NWL\n ETOT_SFC_WL ( COL,ROW,IWL ) = MSCALE * ETOT_SFC_WL( COL,ROW,IWL )\n & + ACM_CLOUDS( COL,ROW ) * IRRADIANCE( 1,IWL )\n END DO\n\n IF ( JTIME_CHK .AND. PHOTDIAG ) THEN\n\n TRANSMIS_DIRECT( COL,ROW ) = MSCALE * TRANSMIS_DIRECT( COL,ROW )\n & + ACM_CLOUDS( COL,ROW ) * TRANS_DIRECT\n TRANSMIS_DIFFUSE( COL,ROW ) = MSCALE * TRANSMIS_DIFFUSE( COL,ROW )\n & + ACM_CLOUDS( COL,ROW ) * TRANSMISSION\n REFLECT_COEFF( COL,ROW ) = MSCALE * REFLECT_COEFF( COL,ROW )\n & + ACM_CLOUDS( COL,ROW ) * REFLECTION\n DO IWL = 1, NWL\n TAU_TOT_WL ( COL,ROW,IWL ) = MSCALE * TAU_TOT_WL( COL,ROW,IWL )\n & + ACM_CLOUDS( COL,ROW ) * TAU_TOT( 1,IWL )\n TAU_CLOUD_WL( COL,ROW,IWL ) = MSCALE * TAU_CLOUD_WL( COL,ROW,IWL )\n & + ACM_CLOUDS( COL,ROW ) * TAU_CLOUD( 1,IWL )\n#ifdef phot_debug\n SSA_CLOUD_WL( COL,ROW,IWL ) = MSCALE * SSA_CLOUD_WL( COL,ROW,IWL )\n & + ACM_CLOUDS( COL,ROW ) * AVE_SSA_CLD ( IWL )\n ASY_CLOUD_WL( COL,ROW,IWL ) = MSCALE * ASY_CLOUD_WL( COL,ROW,IWL )\n & + ACM_CLOUDS( COL,ROW ) * AVE_ASYMM_CLD( IWL )\n#endif\n END DO ! iwl\n\n DO LEV = 1, NLAYS_DIAG\n DO L = 1, N_DIAG_WVL\n IWL = DIAG_WVL( L )\n TOT_EXT( COL,ROW,LEV,L ) = MSCALE * TOT_EXT( COL,ROW,LEV,L )\n & + ACM_CLOUDS( COL,ROW ) * EXTINCTION( LEV,IWL )\n ACTINIC_FX( COL,ROW,LEV,L ) = MSCALE * ACTINIC_FX( COL,ROW,LEV,L )\n & + ACM_CLOUDS( COL,ROW ) * ACTINIC_FLUX( LEV,IWL )\n END DO\n END DO\n END IF ! photdiag\n!Photolysis rates become a weighted average of the values from resolved and ACM skies\n FORALL ( L = 1:NLAYS, IPHOT = 1:NPHOTAB )\n RJ_SUB( COL,ROW, L, IPHOT ) = 60.0 * BLKRJ_ACM( L,IPHOT )\n RJ( COL,ROW, L, IPHOT ) = ACM_CLOUDS( COL,ROW ) * RJ_SUB( COL,ROW, L, IPHOT )\n & + MSCALE * RJ( COL,ROW,L,IPHOT )\n END FORALL ! Loop on layers and PHOT\n END IF\n END IF ! not USE_ACM_CLOUD and ACM_CLOUDS > 0\n\n IF ( JTIME_CHK .AND. PHOTDIAG ) THEN ! compute clear sky reflection and transmission coefficients\n IF ( ANY( CLOUDS ) ) THEN\n IF ( CFRAC_2D( COL,ROW ) .GT. 0.0 ) THEN ! resolved and subgrid clouds exist\n CLOUDS = .FALSE.\n NEW_PROFILE = .FALSE.\n ONLY_SOLVE_RAD = .TRUE.\n CALL NEW_OPTICS ( JDATE, JTIME, NLAYS,\n & BLKTA, BLKPRS, BLKDENS, BLKZH, BLKZF,\n & BLKO3, BLKNO2,\n & ZSFC, COSZEN, SINZEN, RSQD,\n & NEW_PROFILE, CLOUDS, CLDFRAC,\n & BLKRJ_RES, TAUC_AERO, TAU_TOT, TAUO3_TOP,\n & TAU_RAY, SSA, TAU_CLOUD, TOTAL_O3_COLUMN)\n CLR_REFLECTION ( COL,ROW ) = REFLECTION\n CLR_TRANSMISSION( COL,ROW ) = TRANSMISSION\n CLR_TRANS_DIRECT( COL,ROW ) = TRANS_DIRECT\n ELSE ! only subgrid clouds exist\n CLR_REFLECTION ( COL,ROW ) = RES_SKY_REFLECT\n CLR_TRANSMISSION( COL,ROW ) = RES_SKY_TRANS\n CLR_TRANS_DIRECT( COL,ROW ) = RES_SKY_TRANSD\n END IF\n ELSE ! no cloud in vertical column\n CLR_REFLECTION ( COL,ROW ) = REFLECTION\n CLR_TRANSMISSION( COL,ROW ) = TRANSMISSION\n CLR_TRANS_DIRECT( COL,ROW ) = TRANS_DIRECT\n END IF\n END IF\n\n END DO LOOP_COLS\n END DO LOOP_ROWS\n\n END IF\n \n ! Store PM Diagnostic AOD and extinction\n ELMO_AOD_550 = TAU_AERO_550\n ELMO_EXT_550 = AERO_EXT_550\n\n!...report on whether stratospheric ozone column satisfies climatological minimums\n IF( N_TROPO_O3_TOGGLE .GT. 0 )THEN\n O3_TOGGLE_AVE = O3_TOGGLE_AVE / REAL( N_TROPO_O3_TOGGLE )\n WRITE( LOGDEV, 9500 )'PHOT: Exceedance of tropospheric ozone column ',\n & 'or below top of model domains based on stratospheric column minimum ',\n & 'at date and time; ', JDATE, JTIME, N_TROPO_O3_TOGGLE, (1.0/O3_TOGGLE_AVE - 1.0),\n & (1.0/O3_TOGGLE_MIN - 1.0)\n END IF\n\n!...write diagnostic data to output file at the end of every output tstep\n\n IF ( JTIME_CHK ) THEN\n IF ( PHOTDIAG ) THEN\n\n#ifdef mpas\n if ((loc_n > 0) .and. mpas_diag) then\n time_stamp = ctm_out_clock\n\n oname = 'PD_AOD_W550_ANGST'\n gcount = gcount + 1\n call mio_fwrite ('CTM_OUT', oname, pname, TAU_AERO_550(:,1), TIME_STAMP)\n TAU_AERO_550 = 0.0\n oname = 'PD_TROP_O3_COLUMN'\n call mio_fwrite ('CTM_OUT', oname, pname, TROPO_OC(:,1), TIME_STAMP)\n oname = 'PD_CO_COLUMN'\n call mio_fwrite ('CTM_OUT', oname, pname, CO_COLUMN(:,1), TIME_STAMP)\n oname = 'PD_NO2_COLUMN'\n call mio_fwrite ('CTM_OUT', oname, pname, NO2_COLUMN(:,1), TIME_STAMP)\n oname = 'PD_HCHO_COLUMN'\n call mio_fwrite ('CTM_OUT', oname, pname, HCHO_COLUMN(:,1), TIME_STAMP)\n oname = 'PD_SO2_COLUMN'\n call mio_fwrite ('CTM_OUT', oname, pname, SO2_COLUMN(:,1), TIME_STAMP)\n end if\n#else\n\n VARNM = 'COSZENS'\n IF ( .NOT. WRITE3( CTM_RJ_1, VARNM, ODATE, OTIME,\n & COSINE_ZENITH ) ) THEN\n XMSG = 'Error writing variable ' // VARNM\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n VARNM = 'OZONE_COLUMN'\n IF ( .NOT. WRITE3( CTM_RJ_1, VARNM, ODATE, OTIME, TOTAL_OC ) ) THEN\n XMSG = 'Error writing variable ' // VARNM\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n VARNM = 'CO_COLUMN'\n IF ( .NOT. WRITE3( CTM_RJ_1, VARNM, ODATE, OTIME, CO_COLUMN ) ) THEN\n XMSG = 'Error writing variable ' // VARNM\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n VARNM = 'SO2_COLUMN'\n IF ( .NOT. WRITE3( CTM_RJ_1, VARNM, ODATE, OTIME, SO2_COLUMN ) ) THEN\n XMSG = 'Error writing variable ' // VARNM\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n VARNM = 'NO2_COLUMN'\n IF ( .NOT. WRITE3( CTM_RJ_1, VARNM, ODATE, OTIME, NO2_COLUMN ) ) THEN\n XMSG = 'Error writing variable ' // VARNM\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n VARNM = 'HCHO_COLUMN'\n IF ( .NOT. WRITE3( CTM_RJ_1, VARNM, ODATE, OTIME, HCHO_COLUMN ) ) THEN\n XMSG = 'Error writing variable ' // VARNM\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n VARNM = 'TROPO_O3_COLUMN'\n IF ( .NOT. WRITE3( CTM_RJ_1, VARNM, ODATE, OTIME, TROPO_OC ) ) THEN\n XMSG = 'Error writing variable ' // VARNM\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n\n VARNM = 'TRANS_DIFFUSE'\n IF ( .NOT. WRITE3( CTM_RJ_1, VARNM, ODATE, OTIME, TRANSMIS_DIFFUSE ) ) THEN\n XMSG = 'Error writing variable ' // VARNM\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n VARNM = 'TRANS_DIRECT'\n IF ( .NOT. WRITE3( CTM_RJ_1, VARNM, ODATE, OTIME, TRANSMIS_DIRECT ) ) THEN\n XMSG = 'Error writing variable ' // VARNM\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n VARNM = 'REFLECTION'\n IF ( .NOT. WRITE3( CTM_RJ_1, VARNM, ODATE, OTIME, REFLECT_COEFF ) ) THEN\n XMSG = 'Error writing variable ' // VARNM\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n VARNM = 'CLR_TRANS_DIF'\n IF ( .NOT. WRITE3( CTM_RJ_1, VARNM, ODATE, OTIME, CLR_TRANSMISSION ) ) THEN\n XMSG = 'Error writing variable ' // VARNM\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n VARNM = 'CLR_TRANS_DIR'\n IF ( .NOT. WRITE3( CTM_RJ_1, VARNM, ODATE, OTIME, CLR_TRANS_DIRECT ) ) THEN\n XMSG = 'Error writing variable ' // VARNM\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n VARNM = 'CLR_REFLECTION'\n IF ( .NOT. WRITE3( CTM_RJ_1, VARNM, ODATE, OTIME, CLR_REFLECTION ) ) THEN\n XMSG = 'Error writing variable ' // VARNM\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n VARNM = 'TROPO_O3_EXCEED'\n TROPO_O3_EXCEED = TROPO_O3_EXCEED / REAL( MAX(1, TSTEP_COUNT) )\n IF ( .NOT. WRITE3( CTM_RJ_1, VARNM, ODATE, OTIME, TROPO_O3_EXCEED ) ) THEN\n XMSG = 'Error writing variable ' // VARNM\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n TROPO_O3_EXCEED = 0.0 ! reset sum and counter\n TSTEP_COUNT = 0\n\n VARNM = 'N_EXCEED_TROPO3'\n IF ( .NOT. WRITE3( CTM_RJ_1, VARNM, ODATE, OTIME, N_EXCEED_TROPO3 ) ) THEN\n XMSG = 'Error writing variable ' // VARNM\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n N_EXCEED_TROPO3 = 0.0 ! reset counter\n\n VARNM = 'JNO2'\n IF ( .NOT. WRITE3( CTM_RJ_1, VARNM, ODATE, OTIME, RJ( :,:,1, LNO2 ) ) ) THEN\n XMSG = 'Error writing variable ' // VARNM\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n VARNM = 'JO3O1D'\n IF ( .NOT. WRITE3( CTM_RJ_1, VARNM, ODATE, OTIME, RJ( :,:,1,LO3O1D ) ) ) THEN\n XMSG = 'Error writing variable ' // VARNM\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n VARNM = 'RESOLVED_CFRAC'\n IF ( .NOT. WRITE3( CTM_RJ_1, VARNM, ODATE, OTIME, CFRAC_2D ) ) THEN\n XMSG = 'Error writing variable ' // VARNM\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n VARNM = 'RESOLVED_WBAR'\n IF ( .NOT. WRITE3( CTM_RJ_1, VARNM, ODATE, OTIME, AVE_HYDROMETEORS ) ) THEN\n XMSG = 'Error writing variable ' // VARNM\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n IF ( USE_ACM_CLOUD ) THEN\n VARNM = 'SUBGRID_CFRAC'\n IF ( .NOT. WRITE3( CTM_RJ_1, VARNM, ODATE, OTIME, ACM_CLOUDS ) ) THEN\n XMSG = 'Error writing variable ' // VARNM\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n VARNM = 'SUBGRID_WBAR'\n IF ( .NOT. WRITE3( CTM_RJ_1, VARNM, ODATE, OTIME, ACM_AVE_H2O ) ) THEN\n XMSG = 'Error writing variable ' // VARNM\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END IF\n\n DO IWL = 1, NWL\n\n VARNM = 'ETOT_SFC_W' // WLTXT( IWL )\n IF ( .NOT. WRITE3( CTM_RJ_1, VARNM, ODATE,\n & OTIME, ETOT_SFC_WL( :,:,IWL ) ) ) THEN\n XMSG = 'Error writing variable ' // VARNM\n CALL M3EXIT ( PNAME, ODATE, OTIME, XMSG, XSTAT1 )\n END IF\n\n VARNM = 'AOD_W' // WLTXT( IWL )\n IF ( .NOT. WRITE3( CTM_RJ_1, VARNM, ODATE,\n & OTIME, TAU_AERO_WL( :,:,IWL ) ) ) THEN\n XMSG = 'Error writing variable ' // VARNM\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n VARNM = 'AOD_ABS_W' // WLTXT( IWL )\n IF ( .NOT. WRITE3( CTM_RJ_1, VARNM, ODATE,\n & OTIME, TAU_ABS_AERO( :,:,IWL ) ) ) THEN\n XMSG = 'Error writing variable ' // VARNM\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n VARNM = 'TAU_CLOUD_W' // WLTXT( IWL )\n IF ( .NOT. WRITE3( CTM_RJ_1, VARNM, ODATE,\n & OTIME, TAU_CLOUD_WL( :,:,IWL ) ) ) THEN\n XMSG = 'Error writing variable ' // VARNM\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n#ifdef phot_debug\n VARNM = 'SSA_CLOUD_W' // WLTXT( IWL )\n IF ( .NOT. WRITE3( CTM_RJ_1, VARNM, ODATE,\n & OTIME, SSA_CLOUD_WL( :,:,IWL ) ) ) THEN\n XMSG = 'Error writing variable ' // VARNM\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n VARNM = 'ASY_CLOUD_W' // WLTXT( IWL )\n IF ( .NOT. WRITE3( CTM_RJ_1, VARNM, ODATE,\n & OTIME, ASY_CLOUD_WL( :,:,IWL ) ) ) THEN\n XMSG = 'Error writing variable ' // VARNM\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n#endif\n\n VARNM = 'TAU_TOT_W' // WLTXT( IWL )\n IF ( .NOT. WRITE3( CTM_RJ_1, VARNM, ODATE,\n & OTIME, TAU_TOT_WL( :,:,IWL ) ) ) THEN\n XMSG = 'Error writing variable ' // VARNM\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n VARNM = 'TAUO3_TOP_W' // WLTXT( IWL )\n IF ( .NOT. WRITE3( CTM_RJ_1, VARNM, ODATE,\n & OTIME, TAUO3_TOP_WL( :,:,IWL ) ) ) THEN\n XMSG = 'Error writing variable ' // VARNM\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n VARNM = 'ALBEDO_W' // WLTXT( IWL )\n IF ( .NOT. WRITE3( CTM_RJ_1, VARNM, ODATE, OTIME,\n & SURFACE_ALBEDO( IWL,:,: ) ) ) THEN\n XMSG = 'Error writing variable ' // VARNM\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n END DO ! iwl\n\n VARNM = 'AOD_W550_ANGST'\n IF ( .NOT. WRITE3( CTM_RJ_1, VARNM, ODATE, OTIME, TAU_AERO_550 ) ) THEN\n XMSG = 'Error writing variable ' // VARNM\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n VARNM = 'AAOD_W550_ANGST'\n IF ( .NOT. WRITE3( CTM_RJ_1, VARNM, ODATE, OTIME, TAU_ABS_AERO_550 ) ) THEN\n XMSG = 'Error writing variable ' // VARNM\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n WRITE( LOGDEV, '( /5X, 3( A, :, 1X ), I8, \":\", I6.6 )' )\n & 'Photolysis Surface Summary written to', CTM_RJ_1,\n & 'for date and time', ODATE, OTIME\n\n DO IPHOT = 1, NPHOTAB\n OUTPUT_BUFF( 1:NCOLS,1:NROWS,1:NLAYS_DIAG ) = RJ( 1:NCOLS,1:NROWS,1:NLAYS_DIAG,IPHOT )\n IF ( .NOT. WRITE3( CTM_RJ_2, PHOTAB( IPHOT ), ODATE,\n & OTIME, OUTPUT_BUFF ) ) THEN\n XMSG = 'Could not write ' // CTM_RJ_2 // ' file'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END DO\n\n WRITE( LOGDEV, '( /5X, 3( A, :, 1X ), I8, \":\", I6.6 )' )\n & 'Photolysis Rates written to', CTM_RJ_2,\n & 'for date and time', ODATE, OTIME\n\n VARNM = 'CFRAC_3D'\n OUTPUT_BUFF( 1:NCOLS,1:NROWS,1:NLAYS_DIAG ) = CFRAC_3D( 1:NCOLS,1:NROWS,1:NLAYS_DIAG )\n IF ( .NOT. WRITE3( CTM_RJ_3, VARNM, ODATE, OTIME, OUTPUT_BUFF ) ) THEN\n XMSG = 'Could not write ' // TRIM( VARNM ) // ' to ' // CTM_RJ_3 // ' file'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n DO L = 1, N_DIAG_WVL\n IWL = DIAG_WVL( L )\n\n VARNM = 'ACTINIC_FX_W' // WLTXT( IWL )\n IF ( .NOT. WRITE3( CTM_RJ_3, VARNM, ODATE, OTIME, ACTINIC_FX( :,:,:,L ) ) ) THEN\n XMSG = 'Error writing variable ' // VARNM\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n VARNM = 'AERO_SCAT_W' // WLTXT( IWL )\n IF ( .NOT. WRITE3( CTM_RJ_3, VARNM, ODATE, OTIME, AERO_SCAT( :,:,:,L ) ) ) THEN\n XMSG = 'Error writing variable ' // VARNM\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n VARNM = 'AERO_ASYM_W' // WLTXT( IWL )\n IF ( .NOT. WRITE3( CTM_RJ_3, VARNM, ODATE, OTIME, AERO_ASYM( :,:,:,L ) ) ) THEN\n XMSG = 'Error writing variable ' // VARNM\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n VARNM = 'EXT_AERO_W' // WLTXT( IWL )\n IF ( .NOT. WRITE3( CTM_RJ_3, VARNM, ODATE, OTIME, AERO_EXT( :,:,:,L ) ) ) THEN\n XMSG = 'Error writing variable ' // VARNM\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n VARNM = 'EXT_W' // WLTXT( IWL )\n IF ( .NOT. WRITE3( CTM_RJ_3, VARNM, ODATE, OTIME, TOT_EXT( :,:,:,L ) ) ) THEN\n XMSG = 'Error writing variable ' // VARNM\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n VARNM = 'GAS_EXT_W' // WLTXT( IWL )\n IF ( .NOT. WRITE3( CTM_RJ_3, VARNM, ODATE, OTIME, GAS_EXT( :,:,:,L ) ) ) THEN\n XMSG = 'Error writing variable ' // VARNM\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END DO\n\n VARNM = 'EXT_AERO_W550'\n IF ( .NOT. WRITE3( CTM_RJ_3, VARNM, ODATE, OTIME, AERO_EXT_550( :,:,: ) ) ) THEN\n XMSG = 'Error writing variable ' // VARNM\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n WRITE( LOGDEV, '( /5X, 3( A, :, 1X ), I8, \":\", I6.6 )' )\n & 'Radiative and Optical Data written to', CTM_RJ_3,\n & 'for date and time', ODATE, OTIME\n#endif\n\n END IF ! PHOTDIAG\n END IF ! if JTIME_CHK\n TAU_AERO_550 = 0.0\n\n1003 FORMAT( 8X, 'Processor ',I4.4,' is in darkness at ', I8.7, ':', I6.6,\n & 1X, 'GMT - no photolysis')\n9500 FORMAT(3(/ A), I7, 1X, I6.6, 1X, / \"Total Number: \", I9, \";Mean Value: \", F9.6,\n & \"; Max Value: \",F9.6 /)\n\n95101 FORMAT('Diagnostic Output will have zero values for the column density.',\n & / 'The lack of information does not affect model predictions.' )\n \n CONTAINS \n SUBROUTINE COLUMN_GAS( IGAS, UNIT_FACTOR, COLUMN_DENSITY )\n! Purpose: calculates column density in unit based on the value of UNIT_FACTOR\n IMPLICIT NONE\n! argument: \n INTEGER, INTENT( IN ) :: IGAS ! species index in CGRID\n REAL, INTENT( OUT ) :: COLUMN_DENSITY( :,: ) ! units determined by inputs\n REAL, INTENT( IN ) :: UNIT_FACTOR ! converts from 10E6*molecules*cm-2\n! local parameter: \n! REAL, PARAMETER :: UNIT_FACTOR = 1.0E-6 * CONC_TO_DU ! unit conversion factor\n \n IF( IGAS .LE. 0 )RETURN ! assumes column_density set to zero at allocation\n \n COLUMN_DENSITY( COL,ROW ) = 0.0\n DO LEV = 1, NLAYS\n COLUMN_DENSITY( COL,ROW ) = ( UNIT_FACTOR * BLKDENS( LEV ) )\n & * CGRID( COL,ROW,LEV,IGAS ) * BLKDZ ( LEV )\n & + COLUMN_DENSITY( COL,ROW ) \n END DO\n \n END SUBROUTINE COLUMN_GAS \n END SUBROUTINE PHOT\n" }, { "path": "CCTM/src/phot/inline/wrf_fast_mie.F", "content": "\n module wrf_fast_mie\n \n integer, parameter :: lunerr = -1\n\n REAL( 8 ), PUBLIC :: CPU_TIME_DELTA1 = 0.0D0 ! Timing individual\n REAL( 8 ), PUBLIC :: CPU_TIME_DELTA2 = 0.0D0 ! Timing individual\n REAL( 8 ), PUBLIC :: CPU_TIME_DELTA3 = 0.0D0 ! Timing individual\n \n public fast_mieaer_modal, aero_optics_tabular\n \n! integer, private :: logdev\n\n real(8),parameter,private :: pii = 3.14159265358979323846264338327950288419716939937510582097494D0\n real, parameter,private :: pi = 3.14159265\n real, parameter,private :: sqrtpi = pi**(0.5) \n real, parameter,private :: sqrtpi1 = 1.0 / sqrtpi\n real, parameter,private :: sqrt2 = 2.0**(0.5)\n real, parameter,private :: three_pi_two = 3.0 * pi / 2.0 \n\n Logical, Parameter, Private :: Use_Odd_Quadrature = .True.\n Integer, Parameter, Private :: Quadrature_Points = 3\n! Integer, Parameter, Private :: Quadrature_Points = 1\n \n!B.Hutzell One point quadature IGH = 1\n\n real, parameter, Private :: ghxi_1(1) = 0.00000000000\n real, parameter, Private :: ghwi_1(1) = 1.77245385091\n \n!B.Hutzell Three point quadature IGH = 3\n real, parameter, Private :: ghxi_3(3) = (/ -1.22474487139, \n & 0.00000000000, \n & 1.22474487139 /)\n\n real, parameter, Private :: ghwi_3(3) = (/ 0.295408975151, \n & 1.181635900000, \n & 0.295408975151 /)\n \n!B.Hutzell Five point quadature IGH = 5\n real(8), parameter, Private :: ghxi_5(5) = (/ -2.02018287046d0, \n & -0.958572464614d0, \n & 0.00000000000d0, \n & 0.958572464614d0, \n & 2.02018287046d0 /)\n\n real(8), parameter, Private :: ghwi_5(5) = (/ 0.019953242059d0, \n & 0.393619323152d0, \n & 0.945308720483d0, \n & 0.393619323152d0, \n & 0.019953242059d0 /)\n\n \n\n!B.Hutzell Nine point quadature IGH = 9 points\n!No. Abscissas Weight Total Weight \n real, parameter, Private :: ghxi_9(9) = (/ -3.19099320178, \n & -2.26658058453, \n & -1.46855328922, \n & -0.72355101875, \n & 0.00000000000, \n & 0.72355101875, \n & 1.46855328922, \n & 2.26658058453, \n & 3.19099320178 /) \n\n real, parameter, Private :: ghwi_9(9) = (/ 3.96069772633E-5, \n & 0.00494362428, \n & 0.08847452739, \n & 0.43265155900, \n & 0.72023521561, \n & 0.43265155900, \n & 0.08847452739, \n & 0.004943624275, \n & 3.96069772633E-5 /)\n\n Type :: Optics_Tables\n integer :: nradii\n real :: rmin\n real :: rmax\n real :: bma\n real :: bpa\n real :: xrmin\n real :: xrmax\n real :: xr\n real, allocatable :: extp( :,:,:,: ) ! specific extinction\n real, allocatable :: albp( :,:,:,: ) ! single scat alb\n real, allocatable :: asmp( :,:,:,: ) ! asymmetry factor\n real, allocatable :: ascat( :,:,:,: ) ! scattering efficiency, JCB 2004/02/09\n real, allocatable :: pmom2( :,:,:,: ) ! phase function expansion, #2\n real, allocatable :: pmom3( :,:,:,: ) ! phase function expansion, #3\n real, allocatable :: pmom4( :,:,:,: ) ! phase function expansion, #4\n real, allocatable :: pmom5( :,:,:,: ) ! phase function expansion, #5\n real, allocatable :: pmom6( :,:,:,: ) ! phase function expansion, #6\n real, allocatable :: pmom7( :,:,:,: ) ! phase function expansion, #7\n real, allocatable :: sback2p( :,:,:,: ) ! backscatter\n end Type\n \n \n Type :: Optics_Tables_MP\n integer :: nradii\n real :: rmin\n real :: rmax\n real :: bma\n real :: bpa\n real :: xrmin\n real :: xrmax\n real :: xr\n real, allocatable :: extp( :,:,: ) ! specific extinction\n real, allocatable :: albp( :,:,: ) ! single scat alb\n real, allocatable :: asmp( :,:,: ) ! asymmetry factor\n real, allocatable :: ascat( :,:,: ) ! scattering efficiency, JCB 2004/02/09\n! real, allocatable :: pmom2( :,:,: ) ! phase function expansion, #2\n! real, allocatable :: pmom3( :,:,: ) ! phase function expansion, #3\n! real, allocatable :: pmom4( :,:,: ) ! phase function expansion, #4\n! real, allocatable :: pmom5( :,:,: ) ! phase function expansion, #5\n! real, allocatable :: pmom6( :,:,: ) ! phase function expansion, #6\n! real, allocatable :: pmom7( :,:,: ) ! phase function expansion, #7\n real, allocatable :: sback2p( :,:,: ) ! backscatter\n end Type\n\n Type(Optics_Tables_MP), Allocatable, Private :: Modal_Tables( : )\n Type(Optics_Tables_MP), Allocatable, Private :: Modal_Tables_Check( : )\n\n integer, parameter, private :: prefr=22,prefi=33\n integer, parameter, private :: nsiz=200,nlog=30\n\n integer, private :: nbin_a_maxd ! Max # of aerosol bins or modes\n integer, private :: nspint ! Num of spectral intervals across\n integer, private :: ncoef=40 ! number of chebychev polynomials used\n integer, private :: nrefr,nrefi ! number of step between max/min of real and imaginary refractive indices \n\n! integer, parameter :: nsizes(n_mode) = (/ 200,200,200 /)\n integer, allocatable, private :: nsizes( : ) \n \n real, private :: sback_bhmie ! aerosol backscattering coefficient\n real, private :: refrmin ! minimum of real part of refractive index\n real, private :: refrmax ! maximum of real part of refractive index\n real, private :: refimin ! minimum of imag part of refractive index\n real, private :: refimax ! maximum of imag part of refractive index\n real, private :: drefr ! increment in real part of refractive index\n real, private :: drefi ! increment in imag part of refractive index\n\n\n real, private :: reciprocal_drefr ! reciprocal of increment in real part of refractive index\n real, private :: reciprocal_drefi ! reciprocal of increment in imag part of refractive index\n real, private :: reciprocal_drefri ! reciprocal of real times imag increments of refractive index\n\n real, allocatable, private :: wavmid( : ) ! wavelenghts, cm\n real, allocatable, private :: refrtab(:) ! table of real refractive indices for aerosols\n real, allocatable, private :: refitab(:) ! table of imag refractive indices for aerosols\n\n \n \n\n logical :: BHMIE_SUCCESS = .True.\n Logical :: Create_Table = .false.\n Logical :: eflag_wrf_fast_mie = .false.\n \n contains\n\n! ------------------------------------------------------------------\n subroutine aero_optics_tabular( mode,iwave, crefin, Vol, dgn, \n & sig, bext, bscat, gfac)\n\n! FSB NOTE: this subroutine calculates for single mode \n \n! *** calculate the extinction and scattering coefficients and\n! assymetry factors for each wavelength as a sum over the \n! individual lognormal modes. Each mode may have a different \n! set of refractive indices.\n\n USE CSQY_DATA, ONLY : NWL => NWL_REF, WAVELENGTH => EFFWL_REF\n \n IMPLICIT NONE\n\n! *** input variables\n integer, intent(in) :: mode ! aerosol mode index\n integer, intent(in) :: iwave ! index in wavelength array\n complex, intent(in) :: crefin ! Complex refractive index \n real, intent(in) :: Vol ! modal aerosol volumes [m**3 /m**3]\n real, intent(in) :: dgn ! modal geometric mean diameter [m]\n real, intent(in) :: sig ! geometric standard deviation \n \n! *** output variables \n real, intent(out) :: bext ! extinction coefficient [ 1 / m ]\n real, intent(out) :: bscat ! scattering coefficient [ 1 / m ]\n real, intent(out) :: gfac ! assymetry factor for Mie and molecular scattering\n\n \n character( 32 ), parameter :: pname = 'aero_optics_tabular'\n \n! FSB define parameters \n real, parameter :: integral_factor = three_pi_two * sqrtpi1 \n\n\n! *** internal variables\n real :: beta_Sc ! aerosol scattering coefficient \n real :: beta_Ex ! aerosol extinction coefficients \n real :: G ! modal aerosol assymetry factors\n real :: sum_g\n real :: LSIGX\n real :: lambdam1 ! 1/ lambda (m)\n real :: dgv ! geometric mean of volume distribution (m)\n real :: mie_volume_parameter ! Mie size parameter for volume distribution\n real :: vfac\n real :: bscoef ! backscatter efficiency\n\n real :: dgv_p, dgv_m ! diameters at quadature points\n real :: mie_par_top, mie_par_bot ! mie parameter at quadature points\n \n! variable for integration over volume distribution \n real :: nr\n real :: aa1\n real :: xlnsig\n real :: sum_e,sum_s, xi,wxi,xf\n real :: sum_sg\n! *** these are Qext/alfa and Qscat/alfv at the abscissas\n real :: qalfip_e, qalfim_e ! extinction \n real :: qalfip_s, qalfim_s ! scattering\n real :: gsalfp, gsalfm ! scattering times asymmetry factor\n\n integer :: i\n real, allocatable, save :: GHXI(:), GHWI(:) ! weight and abscissas\n integer, save :: IGH ! number of weights and abscissa\n integer, save :: NMAX ! optimumized number of weights and abscissa\n\n Logical, Save :: Initialize = .True.\n \n If( Initialize )Then\n Select Case( Quadrature_Points )\n Case( 1,3,5,9 )\n IGH = Quadrature_Points\n Case Default\n IGH = 3\n End Select\n\n NMAX = Max( Int( IGH / 2 ), 0)\n \n Allocate( GHXI( NMAX + 1 ), GHWI( NMAX + 1 ) )\n \n Select Case ( IGH ) \n Case ( 1 )\n GHXI(1) = ghxi_1(1)\n GHWI(1) = ghwi_1(1)\n Case ( 3 )\n do i = 1, NMAX + 1\n GHXI(i) = ghxi_3(i)\n GHWI(i) = ghwi_3(i)\n end do \n Case ( 5 )\n do i = 1, NMAX + 1\n GHXI(i) = ghxi_5(i)\n GHWI(i) = ghwi_5(i)\n end do \n Case ( 9 )\n do i = 1, NMAX + 1\n GHXI(i) = ghxi_9(i)\n GHWI(i) = ghwi_9(i)\n end do \n end select \n \n Initialize = .False.\n \n End If\n\n! Algorithm based on 04/15/2012 codes \n! by Dr. Francis S. Binkowski\n! Center for Environmental Modeling for Policy Development\n! Institute for the Environment\n! University of North Carolina at Chapel Hill\n! email: frank_binkowski@unc.edu\n\n! *** initialize variables\n lambdam1 = 1.0e9 / wavelength(iwave) ! lambdam1 in [ m^(-1) ]\n bext = 0.0\n bscat = 0.0\n sum_g = 0.0\n\n LSIGX = log(sig)\n \n! calculate Mie size parameter for volume distribution\n! exp(3.0 * xlnsig*xlnsig) converts dgn to dgv (volume diameter)\n dgv = dgn * exp(3.0 * LSIGX * LSIGX) \n mie_volume_parameter = pi * dgv * lambdam1\n\n nr = real(crefin) \n\n \n! Integration code over modal volume distribution\n aa1 = sqrt2 * lsigx\n! This 1.0 / Sqrt( A ) in derivation of the integral where A = 1.0 / ( 2.0 * xlnsg**2 ) \n\n! For wet_diameter in fast_mieaer call\n! Need wet_diameter corresponding xi or Gauss-Hermite Quadrature point\n! dgv * exp[ u / sqrt(A) ] where u = xi Gauss-Hermite Quadrature\n! Therefore, xf = exp( xi / sqrt(A) ) or xf = exp( xi * aa1 ) \n\n bext = 1.0e-30 ! [ 1 / m ]\n bscat = 1.0e-30 ! [ 1 / m ]\n gfac = 0.0\n! return\n\n!start integration at zero point\n xi = 0.0\n wxi = GHWI(NMAX+1)\n xf = 1.0\n\n \n! fetch the effficiencies at zero point\n call fast_mieaer_modal( mie_volume_parameter,crefin,qalfip_e,qalfip_s,gsalfp,bscoef )\n \n sum_e = wxi * qalfip_e\n sum_s = wxi * qalfip_s\n sum_sg = wxi * gsalfp\n\n! FSB do NMAX calls to the MIE codes \n do i = 1, NMAX\n xi = GHXI(i)\n wxi = GHWI(i)\n xf = exp( xi * aa1 )\n dgv_p = dgv * xf\n dgv_m = dgv / xf ! division cheaper than another exp()\n mie_par_top = mie_volume_parameter * xf\n mie_par_bot = mie_volume_parameter / xf\n! *** call subroutine to fetch the effficiencies\n\n\n call fast_mieaer_modal( mie_par_top,crefin,qalfip_e,qalfip_s,gsalfp,bscoef )\n call fast_mieaer_modal( mie_par_bot,crefin,qalfim_e,qalfim_s,gsalfm,bscoef )\n\n sum_e = sum_e + wxi * ( qalfip_e + qalfim_e ) \n sum_s = sum_s + wxi * ( qalfip_s + qalfim_s ) \n sum_sg = sum_sg + wxi * ( gsalfp + gsalfm ) \n\n end do\n \n\n G = sum_sg / sum_s ! this is \n beta_Ex = integral_factor * sum_e ! \n beta_Sc = integral_factor * sum_s \n \n\n! *** bhmie driver returns values divided by mie_vol_parameter\n! Calculate the actual extinction and scattering coefficients \n! by multplying by the modal volume and dividing by the wavelength\n \n vfac = Vol * lambdam1 \n bext = vfac * beta_Ex ! [ 1 / m ]\n bscat = vfac * beta_Sc ! [ 1 / m ]\n gfac = G\n \n99501 Format(I2,' Quadrature Points for Volume Averaged Aerosol Optics')\n99504 Format('Even Number Quadrature Points for Volume Averaged Aerosol Optics')\n \n END SUBROUTINE aero_optics_tabular\n\n subroutine fast_mieaer_modal( mie_parameter,refindx,extaer,scataer,gaer,bscoef )\n\n!!!!! USE UTILIO_DEFN\n USE AERO_DATA ! aero variable data\n USE CSQY_DATA, ONLY : NWL => NWL_REF, NUM_REFRACTIVE, REFRACTIVE_INDEX,\n & WAVELENGTH => EFFWL_REF, FIRST_DAY => NEW_START\n\n use get_env_module\n \n IMPLICIT NONE\n!***********************************************************************\n! Purpose: calculate aerosol scattering albedo, asymmetry factor, and \n! extinction efficencies. If Two_Stream is true, sets Legendre coefficients. \n! The method parameterizes aerosol coefficients using chebychev polynomials\n! requires double precision on 32-bit machines uses Wiscombe's (1979) mie\n! scattering code or Bohren-Huffman (1983) Mie scattering\n! subroutine, bhmie, to calculates efficiencies by a homogenous\n! isotropic sphere. The latter subroutine is used if RadTran solution is a\n! Two Stream Method.\n!\n! INPUT\n! mie_parameter -- 2*pi*wet diameter/wavelength\n! refindx -- volume averaged complex index of refraction\n! OUTPUT:\n! real sactaer ! aerosol single scattering efficiency\n! gaer ! aerosol asymmetery factor\n! extaer ! aerosol extinction efficiency, \n! bscoef ! aerosol backscatter efficiency, to convert steradian divide by 4*PI\n!----------------------------------------------------------------------\n\n! arguments:\n real, intent(in) :: mie_parameter\n complex, intent(in) :: refindx\n\n real, intent(out) :: extaer,scataer,gaer\n real, intent(out) :: bscoef\n\n!local variables\n character( 32 ), parameter :: pname = 'fast_mieaer_modal'\n \n\n real weighte, weights\n! various bookeeping variables \n integer, parameter :: ltype = 1 ! total number of indicies of refraction\n\n real x\n real thesum ! for normalizing things\n real sizem ! size in microns\n integer kcallmieaer\n!\n integer m, j, nc, klevel\n real, save :: pscat !scattering cross section\n real, save :: pext ! parameterized specific extinction (cm2/g)\n real, save :: pasm ! parameterized asymmetry factor\n real, save :: pd_pscat !scattering cross section\n real, save :: pd_pext ! parameterized specific extinction (cm2/g)\n real, save :: pd_pasm ! parameterized asymmetry factor\n\n\n real ppmom2 ! 2 Lengendre expansion coefficient (numbered 0,1,2,...)\n real ppmom3 ! 3 ...\n real ppmom4 ! 4 ...\n real ppmom5 ! 5 ...\n real ppmom6 ! 6 ...\n real ppmom7 ! 7 ...\n real sback2 ! JCB 2007/02/01 sback*conjg(sback)\n \n integer ns ! Spectral loop index\n integer i ! Longitude loop index\n integer k ! Level loop index\n \n integer, save :: isecfrm0 = 0\n\n \n\n\n integer :: ncoef_check ! number of chebychev polynomials used\n integer, save :: numang=0,nmom=7,ipolzn=0,momdim=7\n integer :: nrefr_check,nrefi_check\n\n integer :: nsize\n integer :: nr,ni\n \n! \n real(8) :: pmom(0:7,1)\n real(8), save :: xmu(1) = 1.0d0\n real(8), save :: mimcut = 0.0d0\n \n complex(8) :: sforw,sback,tforw(2),tback(2)\n complex(8) :: s1(1),s2(1)\n\n logical, save :: perfct = .false.\n logical, save :: anyang = .false.\n logical, save :: prnt(2) = (/ .false., .false./)\n logical, save :: first = .true.\n logical, save :: TWO_STREAM = .true.\n logical :: search\n logical :: exists\n \n real :: aero_radius\n\n integer itab,jtab\n integer itabp,jtabp\n \n real ttab,utab\n \n! nsiz = number of wet particle sizes\n! crefin = complex refractive index\n integer n\n real(8), allocatable :: qext( : ) ! array of extinction efficiencies\n real(8), allocatable :: qsca( : ) ! array of scattering efficiencies\n real(8), allocatable :: gqsc( : ) ! array of asymmetry factor * scattering efficiency\n real, allocatable :: asymm( : ) ! array of asymmetry factor\n real, allocatable :: scat( : ) ! JCB 2004/02/09\n real, allocatable :: sb2( : ) ! JCB 2007/02/01 - 4*abs(sback)^2/(size parameter)^2 backscattering efficiency\n real, allocatable :: qextr4( : ) ! extinction, real*4\n real, allocatable :: rs( : ) ! surface mode radius (cm)\n\n real, allocatable, save :: cext (:)\n real, allocatable, save :: casm (:)\n real, allocatable, save :: cpmom2 (:)\n real, allocatable, save :: cscat (:) \n real, allocatable, save :: cpsback2p(:) \n\n real(8) :: thesize ! 2 pi radpart / waveleng = size parameter\n\n complex(8) :: crefin,crefd\n complex(8), save :: crefw\n real, save :: rmin=0.005e-4,rmax=50.e-4 ! min, max aerosol size bin\n\n \n real bma,bpa\n \n real, save :: xrmin,xrmax,xr\n real xrad ! normalized aerosol radius\n \n real, save :: rhoh2o = 1.0 ! density of liquid water (g/cm3)\n \n real refr ! real part of refractive index\n real refi ! imaginary part of refractive index\n \n real thesize_bhmie ! 2 pi radpart / waveleng = size parameter\n real qext_bhmie ! array of extinction efficiencies\n real qsca_bhmie ! array of scattering efficiencies\n real qback_bhmie ! array of scattering efficiencies\n real gsca_bhmie ! array of asymmetry factor * scattering efficiency\n complex refrel_bhmie\n\n real :: weight_real ! nomralized real part refractive index difference used in bilinear interpolation \n real :: weight_imag ! nomralized imaginary part refractive index difference used in bilinear interpolation\n real :: wrwi ! weighting factors used on bilinear interpolation points\n real :: wr_wrwi ! weighting factors used on bilinear interpolation points\n real :: wi_wrwi ! weighting factors used on bilinear interpolation points\n real :: one_wrwi_wi ! weighting factors used on bilinear interpolation points\n\n real :: quadrature_factor\n real :: max_quad_point\n\n real :: reciprocal_drefr_check ! reciprocal of increment in real part of refractive index\n real :: reciprocal_drefi_check ! reciprocal of increment in imag part of refractive index\n real :: reciprocal_drefri_check ! reciprocal of real times imag increments of refractive index\n real :: refrmin_check ! minimum of real part of refractive index\n real :: refrmax_check ! maximum of real part of refractive index\n real :: refimin_check ! minimum of imag part of refractive index\n real :: refimax_check ! maximum of imag part of refractive index\n real :: drefr_check ! increment in real part of refractive index\n real :: drefi_check ! increment in imag part of refractive index\n\n real, allocatable :: refrtab_check(:) ! table of real refractive indices for aerosols\n real, allocatable :: refitab_check(:) ! table of imag refractive indices for aerosols\n real, allocatable, save :: ch(:) ! values of chebychev polynomials\n\n real, parameter :: pie = pi\n real, parameter :: third = 1.0/3.0\n \n integer :: irams, jrams\n! diagnostic declarations\n integer :: kcallmieaer2\n integer :: ibin, imode\n integer :: mie_unit\n integer :: astat\n character(150) :: msg\n CHARACTER(600) :: MIE_TABLE\n\n\n if(first)then\n \n first = .false.\n \n! parameterize aerosol radiative properties in terms of\n! relative humidity, surface mode wet radius, aerosol species,\n! and wavelength\n! first find min,max of real and imaginary parts of refractive index\n crefw=cmplx(1.33,0.0)\n refrmin=real(crefw)\n refrmax=real(crefw)\n\n! change Rahul's imaginary part of the refractive index from positive to negative\n refimin=-imag(crefw)\n refimax=-imag(crefw)\n nspint = nwl\n allocate( wavmid( nwl ) )\n wavmid(1:nwl) = 1.0e-7*wavelength(1:nwl) \n\n allocate( nsizes( n_mode ) )\n \n nsizes = (/ 200,200,200 /)\n \n allocate( Modal_Tables( N_MODE ) )\n \n Select Case ( Quadrature_Points ) \n Case ( 1 )\n max_quad_point = ghxi_1(1)\n Case ( 3 )\n max_quad_point = ghxi_3(3)\n Case ( 5 )\n max_quad_point = ghxi_5(5)\n Case ( 9 )\n max_quad_point = ghxi_9(9)\n end select \n\n nbin_a_maxd = n_mode\n \n call get_env( mie_table, 'MIE_TABLE', 'MIE_TABLE',logdev )\n inquire( file=trim(mie_table),exist=exists)\n if( .not. exists )then\n Create_Table = .true.\n else\n Create_Table = .false.\n endif\n\n if( Create_Table )then\n\n Create_table = .false.\n \n \n do i=1,NUM_REFRACTIVE\n refrmin = amin1( refrmin,MINVAL( REFRACTIVE_INDEX( i )%REAL_PART( :,: ) ))\n refrmax = amax1( refrmax,MAXVAL( REFRACTIVE_INDEX( i )%REAL_PART( :,: ) ))\n refimin = amin1( refimin,-MINVAL( REFRACTIVE_INDEX( i )%IMAG_PART( :,: ) )) \n refimax = amax1( refimax,-MAXVAL( REFRACTIVE_INDEX( i )%IMAG_PART( :,: ) ))\n enddo\n \n rmax = amax1(rmax,60.0*MAXVAL(max_dg_wet))\n rmin = amin1(rmin,40.0*MINVAL(min_dg_dry))\n drefr=(refrmax-refrmin)\n if(drefr.gt.1.e-4)then\n nrefr=prefr\n drefr=drefr/(nrefr-1)\n else\n nrefr=1\n endif\n \n drefi=(refimax-refimin)\n if(drefi.gt.1.e-4)then\n nrefi=prefi\n drefi=drefi/(nrefi-1)\n else\n nrefi=1\n endif\n \n \n reciprocal_drefr = 1.0/drefr\n reciprocal_drefi = 1.0/drefi\n reciprocal_drefri = reciprocal_drefr * reciprocal_drefi\n \n! \n \n bma=0.5*alog(rmax/rmin) ! JCB\n bpa=0.5*alog(rmax*rmin) ! JCB\n xrmin=alog(rmin)\n xrmax=alog(rmax)\n \n quadrature_factor = exp( sqrt2 * log( max_sigma_g ) * max_quad_point )\n \n do ns = 1,n_mode\n Modal_Tables(ns)%nradii = nsizes(ns)\n Modal_Tables(ns)%rmax = 60.0*max_dg_wet(ns)*quadrature_factor\n! if( ns .eq. n_mode )Modal_Tables(ns)%rmax = 4.0*Modal_Tables(ns)%rmax\n! convert modal rmax into Mie Parameter \n Modal_Tables(ns)%rmax = 2.0*pi*Modal_Tables(ns)%rmax/minval( wavmid )\n Modal_Tables(ns)%rmin = 40.0*min_dg_dry(ns)/quadrature_factor\n! convert modal rmin into Mie Parameter \n Modal_Tables(ns)%rmin = 2.0*pi*Modal_Tables(ns)%rmin/maxval( wavmid )\n Modal_Tables(ns)%bma=0.5*log(Modal_Tables(ns)%rmax/Modal_Tables(ns)%rmin)\n Modal_Tables(ns)%bpa=0.5*log(Modal_Tables(ns)%rmax*Modal_Tables(ns)%rmin)\n Modal_Tables(ns)%xrmin=log(Modal_Tables(ns)%rmin)\n Modal_Tables(ns)%xrmax=log(Modal_Tables(ns)%rmax)\n allocate( Modal_Tables(ns)%extp(ncoef,prefr,prefi), \n & Modal_Tables(ns)%albp(ncoef,prefr,prefi), \n & Modal_Tables(ns)%asmp(ncoef,prefr,prefi), \n & Modal_Tables(ns)%ascat(ncoef,prefr,prefi), \n & Modal_Tables(ns)%sback2p(ncoef,prefr,prefi) )\n end do\n\n! check if coverage of mie parameter is continuous between Modal_Tables \n do ns = 2,n_mode\n \n if( Modal_Tables(ns-1)%rmax .ne. Modal_Tables(ns)%rmin )then\n Modal_Tables(ns-1)%rmax = Modal_Tables(ns)%rmin\n Modal_Tables(ns-1)%xrmax = log(Modal_Tables(ns-1)%rmax)\n Modal_Tables(ns-1)%bma=0.5*log(Modal_Tables(ns-1)%rmax/Modal_Tables(ns-1)%rmin)\n Modal_Tables(ns-1)%bpa=0.5*log(Modal_Tables(ns-1)%rmax*Modal_Tables(ns-1)%rmin)\n end if\n \n end do\n \n \n nsize = MAXVAL( Modal_Tables(1:n_mode)%nradii )\n \n allocate( qext( nsize ),\n & qsca( nsize ),\n & gqsc( nsize ) )\n \n allocate( asymm( nsize ),\n & scat( nsize ),\n & sb2( nsize ),\n & qextr4( nsize ),\n & rs( nsize ) ) \n \n \n! calibrate parameterization with range of refractive indices \n\n allocate( refrtab(nrefr),\n & refitab(nrefi),\n & ch(ncoef))\n \n do 120 ni=1,nrefi\n do 120 nr=1,nrefr \n\n refrtab(nr)=refrmin+(nr-1)*drefr\n refitab(ni)=refimin+(ni-1)*drefi\n crefd=dcmplx(real(refrtab(nr),8),real(refitab(ni),8))\n! mie calculations of optical efficiencies\n loop_modes: do imode = 1,n_mode\n nsize = Modal_Tables(imode)%nradii ! nsizes( imode )\n do n=1,nsize\n \n xr=cos(pie*(real(n)-0.5)/real(nsize))\n rs(n)=real(exp(xr*Modal_Tables(imode)%bma+Modal_Tables(imode)%bpa),8)\n! size parameter and weighted refractive index\n thesize=real(rs(n),8)\n \n! backscattering efficiency, Bohren and Huffman, page 122\n! as stated by Bohren and Huffman, this is 4*pie times what is should be\n! may need to be smoothed - a very rough function - for the time being we won't apply smoothing\n! and let the integration over the size distribution be the smoothing\n \n thesize_bhmie = real( thesize )\n refrel_bhmie = cmplx(real(refrtab(nr)),-real(refitab(ni)))\n call driver_bhmie_flexy(thesize_bhmie,refrel_bhmie,qext_bhmie,qsca_bhmie,gsca_bhmie) \n asymm(n) = gsca_bhmie/qsca_bhmie \n qextr4(n)= qext_bhmie*thesize_bhmie\n scat(n) = qsca_bhmie*thesize_bhmie \n sback = sback_bhmie\n sb2(n) = 4.0*sback*dconjg(sback)\n & / (thesize_bhmie*thesize_bhmie) ! JCB 2007/02/01 \n \n \n enddo\n 100 continue\n\n call fitcurv(rs,qextr4,Modal_Tables(imode)%extp(:,nr,ni),ncoef,nsize)\n call fitcurv(rs,scat,Modal_Tables(imode)%ascat(:,nr,ni),ncoef,nsize) \n call fitcurv(rs,asymm,Modal_Tables(imode)%asmp(:,nr,ni),ncoef,nsize)\n call fitcurv(rs,sb2,Modal_Tables(imode)%sback2p(:,nr,ni),ncoef,nsize) \n \n enddo loop_modes\n\n120 continue\n\n If( MYPE .eq. 0 )Then\n \n mie_unit = get_free_iounit()\n open(unit=mie_unit,file=trim(mie_table),form='FORMATTED',status='REPLACE',\n & iostat=astat)\n if( astat .ne. 0 )then\n msg = 'Error creating Mie Lookup Table, ' // trim(mie_table)\n & // 'and new start is true.' \n eflag_wrf_fast_mie = .True.\n return\n endif\n write(mie_unit,'(a)')'real and imaginary part of minimum refractive index '\n write(mie_unit,'(a)')'imaginary part uses negative sign convention so reverse sign common value'\n write(mie_unit,'(2(es12.4,1x))')refrtab(1),refitab(1)\n write(mie_unit,'(a)')'real and imaginary part of maximum refractive index'\n write(mie_unit,'(es12.4,1x,es12.4)')refrtab(nrefr),refitab(nrefi)\n write(mie_unit,'(a)')'number real and imaginary parts'\n write(mie_unit,'(i4,1x,i4)')nrefr,nrefi\n write(mie_unit,'(a)')'minimum mie parameter for each mode '\n write(mie_unit,'(3(es16.7,1x))')Modal_Tables(1:n_mode)%rmin\n write(mie_unit,'(a)')'maximum mie parameters for each mode' \n write(mie_unit,'(3(es16.7,1x))'),Modal_Tables(1:n_mode)%rmax\n write(mie_unit,'(a)')'number coefficients for chebyshev polynomials for each fit= '\n write(mie_unit,'(i4)')ncoef\n do ni=1,nrefi\n do nr=1,nrefr\n write(mie_unit,'(a,es12.4,a2,es12.4,a5)')'! refractive index = ( ',refrtab(nr),', ',refitab(ni),' ) '\n write(mie_unit,'(a)')'! ext, scat, asym, and backscat coefficients for chebyshev polynomials'\n do nc = 1,ncoef\n write(mie_unit,'(21(es16.7,1x))')\n & (Modal_Tables(imode)%extp(nc,nr,ni),\n & Modal_Tables(imode)%ascat(nc,nr,ni),\n & Modal_Tables(imode)%asmp(nc,nr,ni),\n & Modal_Tables(imode)%sback2p(nc,nr,ni),imode=1,n_mode)\n end do\n end do\n end do \n close(mie_unit)\n End If\n\n deallocate( qext,\n & qsca,\n & gqsc )\n \n deallocate( asymm, \n & scat, \n & sb2, \n & qextr4, \n & rs ) \n \n \n else ! read table from ascii file \n\n inquire( file=trim(mie_table),exist=exists)\n if( .not. exists )then\n msg = 'Mie Lookup Table, ' // trim(mie_table)\n & // ' not found and new start is false.' \n eflag_wrf_fast_mie = .True.\n return\n end if\n mie_unit = get_free_iounit()\n open(unit=mie_unit,file=trim(mie_table),form='FORMATTED',status='OLD',\n & iostat=astat)\n if( astat .ne. 0 )then\n msg = 'Error reading Mie Lookup Table, ' // trim(mie_table) \n eflag_wrf_fast_mie = .True.\n return\n endif\n read(mie_unit,'(a)')msg\n read(mie_unit,'(a)')msg\n read(mie_unit,'(2(es12.4,1x))')refrmin,refimin\n read(mie_unit,'(a)')msg\n read(mie_unit,'(es12.4,1x,es12.4)')refrmax,refimax\n read(mie_unit,'(a)')msg\n read(mie_unit,'(i4,1x,i4)')nrefr,nrefi\n read(mie_unit,'(a)')msg\n read(mie_unit,'(3(es16.7,1x))')Modal_Tables(1:n_mode)%rmin\n read(mie_unit,'(a)')msg\n read(mie_unit,'(3(es16.7,1x))'),Modal_Tables(1:n_mode)%rmax\n read(mie_unit,'(a)')msg\n read(mie_unit,'(i4)')ncoef\n\n do ns = 1,n_mode\n Modal_Tables(ns)%nradii = nsizes(ns)\n Modal_Tables(ns)%bma=0.5*log(Modal_Tables(ns)%rmax/Modal_Tables(ns)%rmin)\n Modal_Tables(ns)%bpa=0.5*log(Modal_Tables(ns)%rmax*Modal_Tables(ns)%rmin)\n Modal_Tables(ns)%xrmin=log(Modal_Tables(ns)%rmin)\n Modal_Tables(ns)%xrmax=log(Modal_Tables(ns)%rmax)\n allocate( Modal_Tables(ns)%extp(ncoef,nrefr,nrefi), \n & Modal_Tables(ns)%albp(ncoef,nrefr,nrefi), \n & Modal_Tables(ns)%asmp(ncoef,nrefr,nrefi), \n & Modal_Tables(ns)%ascat(ncoef,nrefr,nrefi), \n & Modal_Tables(ns)%sback2p(ncoef,nrefr,nrefi) )\n end do\n\n\n drefr=(refrmax-refrmin)\n if(drefr.gt.1.e-4)then\n drefr=drefr/(nrefr-1)\n endif\n \n drefi=(refimax-refimin)\n if(drefi.gt.1.e-4)then\n drefi=drefi/(nrefi-1)\n endif\n \n reciprocal_drefr = 1.0/drefr\n reciprocal_drefi = 1.0/drefi\n reciprocal_drefri = reciprocal_drefr * reciprocal_drefi\n\n allocate( refrtab(nrefr),\n & refitab(nrefi),\n & ch(ncoef))\n\n do ni=1,nrefi\n do nr=1,nrefr\n refrtab(nr)=refrmin+(nr-1)*drefr\n refitab(ni)=refimin+(ni-1)*drefi\n read(mie_unit,'(a)')msg\n read(mie_unit,'(a)')msg\n do nc = 1,ncoef\n read(mie_unit,'(21(es16.7,1x))')\n & (Modal_Tables(imode)%extp(nc,nr,ni),\n & Modal_Tables(imode)%ascat(nc,nr,ni),\n & Modal_Tables(imode)%asmp(nc,nr,ni),\n & Modal_Tables(imode)%sback2p(nc,nr,ni),imode=1,n_mode)\n end do\n end do\n end do \n close(mie_unit)\n \n end if\n\n allocate( cext (ncoef), \n & casm (ncoef),\n & cpmom2 (ncoef),\n & cscat (ncoef),\n & cpsback2p(ncoef))\n \n return\n \n endif ! end first call block\n \n aero_radius = mie_parameter \n ns = 1\n do m = 1,n_mode\n if( aero_radius .le. Modal_Tables(m)%rmax)exit\n end do\n m = min(m,n_mode)\n \n gaer=0.0\n extaer=0.0\n bscoef=0.0 ! JCB 2007/02/01 - backscattering coefficient\n! loop over the bins\n sizem=aero_radius ! radius in cm\n! check against limits of mie parameter\n if(aero_radius.le.Modal_Tables(m)%rmin)then\n aero_radius=1.01*Modal_Tables(m)%rmin\n write( msg, '(a, 1x, es11.4, a, 1x, es11.4 )' ) \n & 'In ' // Trim( pname ) // ':aerosol mie parameter set to ',\n & aero_radius, ' from ', mie_parameter\n write(logdev,'(a)')TRim( msg )\n endif\n!\n if(aero_radius.ge.Modal_Tables(m)%rmax)then\n aero_radius=0.99*Modal_Tables(m)%rmax\n write( msg, '(a, 1x, es11.4, a, 1x, es11.4 )' ) \n & 'In ' // Trim( pname ) // ':aerosol mie parameter set to ',\n & aero_radius, ' from ', mie_parameter\n write(logdev,'(a)')Trim( msg )\n endif\n\n\n crefin=refindx\n refr=real(crefin)\n! change Rahul's imaginary part of the index of refraction from positive to negative\n refi=-imag(crefin)\n\n x=alog(aero_radius) ! radius in cm\n xrad=x\n! normalize size parameter\n xrad=(2*xrad-Modal_Tables(m)%xrmax-Modal_Tables(m)%xrmin)\n & /(Modal_Tables(m)%xrmax-Modal_Tables(m)%xrmin)\n \n! retain this diagnostic code\n if(abs(refr).gt.10.0.or.abs(refr).le.0.001)then\n write( msg, '(a,1x, e14.5)' ) \n & 'FASTJ mie /refr/ outside range 1e-3 to 10 refr= ', refr\n write(logdev,'(a)')Trim( msg )\n endif\n if(abs(refi).gt.10.0)then\n write( msg, '(a,1x, e14.5)' ) \n & 'FASTJ mie /refi/ >10 refi', refi\n write(logdev,'(a)')Trim( msg )\n endif\n\n! interpolate coefficients linear in refractive index\n! first call calcs itab,jtab,ttab,utab\n itab=0\n search = .true.\n \n search = .false.\n \n itab = int( (refr-refrmin)*reciprocal_drefr ) + 1\n itab = min( nrefr,max( itab,1 ) )\n jtab = int( (refi-refimin)*reciprocal_drefi ) + 1\n jtab = min( nrefi,max( jtab,1 ) )\n\n if( itab .eq. 1 .or. itab .eq. nrefr )then\n weight_real = 0.0 \n itabp = itab \n else\n weight_real = (refr-refrtab(itab))\n & * reciprocal_drefr \n itabp = itab + 1\n end if\n if( jtab .eq. 1 .or. jtab .eq. nrefi )then\n weight_imag = 0.0\n jtabp = jtab \n else\n weight_imag = (refi-refitab(jtab))\n & * reciprocal_drefi \n jtabp = jtab + 1\n end if\n\n wrwi = weight_real*weight_imag\n wr_wrwi = weight_real - wrwi\n one_wrwi_wi = 1.0 - wr_wrwi - weight_imag\n wi_wrwi = weight_imag - wrwi\n \n \n do nc=1,ncoef\n \n cext(nc) = one_wrwi_wi*Modal_Tables(m)%extp(nc,itab,jtab)\n & + wr_wrwi*Modal_Tables(m)%extp(nc,itabp,jtab)\n & + wrwi*Modal_Tables(m)%extp(nc,itabp,jtabp)\n & + wi_wrwi*Modal_Tables(m)%extp(nc,itab,jtabp) \n \n \n cscat(nc) = one_wrwi_wi*Modal_Tables(m)%ascat(nc,itab,jtab)\n & + wr_wrwi*Modal_Tables(m)%ascat(nc,itabp,jtab)\n & + wrwi*Modal_Tables(m)%ascat(nc,itabp,jtabp)\n & + wi_wrwi*Modal_Tables(m)%ascat(nc,itab,jtabp) \n \n casm(nc) = one_wrwi_wi*Modal_Tables(m)%asmp(nc,itab,jtab)\n & + wr_wrwi*Modal_Tables(m)%asmp(nc,itabp,jtab)\n & + wrwi*Modal_Tables(m)%asmp(nc,itabp,jtabp)\n & + wi_wrwi*Modal_Tables(m)%asmp(nc,itab,jtabp) \n \n cpsback2p(nc) = one_wrwi_wi*Modal_Tables(m)%sback2p(nc,itab,jtab)\n & + wr_wrwi*Modal_Tables(m)%sback2p(nc,itabp,jtab)\n & + wrwi*Modal_Tables(m)%sback2p(nc,itabp,jtabp)\n & + wi_wrwi*Modal_Tables(m)%sback2p(nc,itab,jtabp) \n enddo\n \n! chebyshev polynomials\n ch(1)=1.\n ch(2)=xrad\n do nc=3,ncoef\n ch(nc)=2.*xrad*ch(nc-1)-ch(nc-2)\n enddo\n\n\n! parameterized optical properties\n pext=0.5*cext(1)\n pscat=0.5*cscat(1)\n pasm=0.5*casm(1)\n sback2=0.5*cpsback2p(1) ! JCB 2007/02/01 - backscattering efficiency\n do nc=2,ncoef\n pext=pext+ch(nc)*cext(nc)\n pscat=pscat+ch(nc)*cscat(nc)\n pasm=pasm+ch(nc)*casm(nc)\n sback2=sback2+ch(nc)*cpsback2p(nc)\n enddo\n pext=exp(pext)\n pscat=exp(pscat)\n pasm=exp(pasm)\n sback2=max( exp(sback2),0.0 )\n\n\n thesize = mie_parameter\n \n pext = pext/thesize \n pscat = pscat/thesize \n pasm = pasm * pscat\n extaer = pext\n scataer = pscat\n gaer = pasm\n! convert backscattering efficiency to backscattering coefficient, units (cm)^-1\n bscoef= sback2/thesize\n \n \n return\n end subroutine fast_mieaer_modal \n\n function binarysearch(length, array, value)\n ! Given an array and a value, returns the index of the element that\n ! is closest to, but less than, the given value.\n ! Uses a binary search algorithm.\n ! \"delta\" is the tolerance used to determine if two values are equal\n ! if ( abs(x1 - x2) <= delta) then\n ! assume x1 = x2\n ! endif\n\n implicit none\n integer, intent(in) :: length\n real, intent(in) :: array(length)\n real, intent(in) :: value\n\n integer :: binarysearch\n\n integer :: left, middle, right\n\n real, parameter :: d = 1.0e-9\n\n if ( value .ge. array(length) ) then\n binarysearch = length\n return\n end if\n if ( value .le. array(1) ) then\n binarysearch = 1\n return\n end if\n \n left = 1\n right = length\n do\n if (left .gt. right) then\n exit\n end if\n middle = nint((left+right) / 2.0)\n if ( abs(array(middle) - value) .le. d) then\n binarySearch = middle\n return\n else if (array(middle) .gt. value) then\n right = middle - 1\n else\n left = middle + 1\n end if\n end do\n binarysearch = right\n\n end function binarysearch\n\n real function interpolate(x_len, x_array, y_len, y_array, f, x, y )\n ! This function uses bilinear interpolation to estimate the value\n ! of a function f at point (x,y)\n ! f is assumed to be sampled on a regular grid, with the grid x values specified\n ! by x_array and the grid y values specified by y_array\n ! Reference: http://en.wikipedia.org/wiki/Bilinear_interpolation\n implicit none\n integer, intent(in) :: x_len, y_len \n real, intent(in) :: x_array(x_len)\n real, intent(in) :: y_array(y_len)\n real, intent(in) :: f(x_len, y_len)\n real, intent(in) :: x,y\n\n real :: denom, x1, x2, y1, y2\n integer :: i,j\n\n i = binarysearch(x_len, x_array, x)\n j = binarysearch(y_len, y_array, y)\n\n x1 = x_array(i)\n x2 = x_array(i+1)\n\n y1 = y_array(j)\n y2 = y_array(j+1)\n \n denom = (x2 - x1)*(y2 - y1)\n\n interpolate = (f(i,j)*(x2-x)*(y2-y) + f(i+1,j)*(x-x1)*(y2-y) + \n & f(i,j+1)*(x2-x)*(y-y1) + f(i+1, j+1)*(x-x1)*(y-y1))/denom\n\n end function interpolate\n!****************************************************************\n subroutine fitcurv(rs,yin,coef,ncoef,maxm)\n\n! fit y(x) using Chebychev polynomials\n! wig 7-Sep-2004: Removed dependency on pre-determined maximum\n! array size and replaced with f90 array info.\n\n! USE module_peg_util, only: peg_message\n\n IMPLICIT NONE\n\n integer, intent(in) :: maxm, ncoef\n real, intent(in) :: rs(:), yin(:)\n real, intent(inout) :: coef(:)\n!local: \n real x(size(rs)),y(size(yin))\n\n integer m\n real xmin, xmax\n character(80) msg\n\n\n \n do 100 m=1,maxm\n x(m)=alog(rs(m))\n y(m)=alog(yin(m))\n 100 continue\n\n xmin=x(1)\n xmax=x(maxm)\n do 110 m=1,maxm\n x(m)=(2*x(m)-xmax-xmin)/(xmax-xmin)\n 110 continue\n\n call chebft(coef,ncoef,maxm,y)\n\n return\n end subroutine fitcurv \n\n!**************************************************************\n subroutine fitcurv_nolog(rs,yin,coef,ncoef,maxm)\n\n! fit y(x) using Chebychev polynomials\n! wig 7-Sep-2004: Removed dependency on pre-determined maximum\n! array size and replaced with f90 array info.\n\n IMPLICIT NONE\n\n integer, intent(in) :: maxm, ncoef\n real, intent(in) :: rs(:), yin(:)\n real, intent(inout) :: coef(:) \n!local: \n real x(size(rs)),y(size(yin))\n\n integer m\n real xmin, xmax\n character*80 msg\n \n\n do 100 m=1,maxm\n x(m)=alog(rs(m))\n y(m)=yin(m) ! note, no \"alog\" here\n 100 continue\n\n xmin=x(1)\n xmax=x(maxm)\n do 110 m=1,maxm\n x(m)=(2*x(m)-xmax-xmin)/(xmax-xmin)\n 110 continue\n\n call chebft(coef,ncoef,maxm,y)\n\n return\n end subroutine fitcurv_nolog \n!************************************************************************\n subroutine chebft(c,ncoef,n,f)\n! given a function f with values at zeroes x_k of Chebychef polynomial\n! T_n(x), calculate coefficients c_j such that\n! f(x)=sum(k=1,n) c_k t_(k-1)(y) - 0.5*c_1\n! where y=(x-0.5*(xmax+xmin))/(0.5*(xmax-xmin))\n! See Numerical Recipes, pp. 148-150.\n\n IMPLICIT NONE\n real pi\n integer, intent( in ) :: ncoef, n\n real, intent( out ) :: c(:)\n real, intent( in ) :: f(:)\n\n! local variables \n! parameter (pi=3.14159265)\n real(8) :: fac, thesum\n integer j, k\n \n fac=2.0d0/real( n,8 )\n do j=1,ncoef\n thesum=0.0d0\n do k=1,n\n thesum=thesum\n & +real(f(k),8)\n & *dcos((pii*real((j-1),8))*((real(k,8)-0.5)/real(n,8)))\n enddo\n c(j)=real(fac*thesum)\n enddo\n return\n end subroutine chebft \n! ------------------------------------------------------------------\n subroutine driver_bhmie_flexy(xx, crefin, qextalf, qscatalf, gscatalfg)\n implicit none\n \n real, intent(in) :: XX \n real, intent(out) :: qextalf, qscatalf, gscatalfg\n complex, intent(in) :: CREFIN\n!local \n real( 8 ), parameter :: one_third = 1.0d0 / 3.0d0\n integer :: NXX\n integer :: nstop, modulus\n \n real :: QEXTI, QSCA, QBACK, G_MIE, xx1\n \n real( 8 ) :: x\n complex( 8 ) :: refractive_index\n \n x = real( XX, 8 )\n refractive_index = dcmplx( real( CREFIN ), imag( CREFIN ) )\n \n modulus = int( abs( x * refractive_index ) ) \n nstop = int( x + 4.0d0 * x**one_third + 2.0d0 )\n \n nxx = max( modulus, nstop ) + 15\n \n xx1 = 1.0 / XX\n \n CALL BHMIE_FLEXY(XX, NXX, NSTOP, CREFIN,QEXTI,QSCA,QBACK,G_MIE)\n \n qextalf = QEXTI * xx1\n qscatalf = QSCA * xx1\n gscatalfg = qscatalf * G_MIE\n sback_bhmie = QBACK * xx1\n \n! write(6,'(a,12(ES12.4,1X))',advance='NO')'WRF BHMIE_FLEXY: XX, QEXT,QSCA,G_MIE = ',\n! & xx,qextalf,qscatalf,gscatalfg\n\n end subroutine driver_bhmie_flexy\n! ------------------------------------------------------------------\n SUBROUTINE BHMIE_FLEXY (X, NMX, NSTOP, REFREL, QQEXT, QQSCA, QBACK, GSCA)\n\n! FSB Changed the call vector to return only QEXT, QSCAT QBACK GSCA\n! and ignore NANG, S1 and S2 and all calculations for them\n\n implicit none \n\n! Arguments:\n real, intent(in) :: X ! X = pi*particle_diameter / Wavelength\n integer, intent(in) :: NMX ! maximum number of terms in Mie series \n integer, intent(in) :: NSTOP ! minumum number of terms in Mie series \n complex, intent(in) :: REFREL ! refractive index\n\n! REFREL = (complex refr. index of sphere)/(real index of medium)\n! in the current use the index of refraction of the the medium\n! i taken at 1.0 real.\n!\n! Output\n\n real, intent(out) :: QQEXT, QQSCA, QBACK, GSCA\n\n! QQEXT Efficiency factor for extinction\n! QQSCA Efficiency factor for scattering\n! QQBACK Efficiency factor for back scatter\n! GSCA asymmetry factor \n! SUCCESS flag for successful calculation\n! REFERENCE: \n! Bohren, Craig F. and Donald R. Huffman, Absorption and \n! Scattering of Light by Small Particles, Wiley-Interscience\n! copyright 1983. Paperback Published 1998.\n! FSB\n! This code was originally listed in Appendix A. pp 477-482.\n! As noted below, the original code was subsequently \n! modified by Prof. Bruce T. Drain of Princetion University.\n! The code was further modified for a specific application\n! in a large three-dimensional code requiring as much \n! computational efficiency as possible. \n! Prof. Francis S. Binkowski of The University of North\n! Carolina at Chapel Hill. \n\n! Declare parameters:\n! Note: important that MXNANG be consistent with dimension of S1 and S2\n! in calling routine!\n\n integer, parameter :: MXNANG=10, NMXX=150000 ! FSB new limits\n integer, parameter :: NANG = 2\n! real*8, parameter :: PII = 3.1415916536D0\n real*8, parameter :: ONE = 1.0D0, TWO = 2.0D0\n! real(8),parameter :: ONE_THIRD = 1.0D0/3.0D0\n complex*16, parameter :: COMPLEX_DZERO = (0.0D0,0.0D0)\n complex, parameter :: COMPLEX_ZERO = (0.0,0.0)\n\n! Local variables:\n integer :: N, NN\n real*8 :: QSCA, QEXT, DX1, DXX1 \n real*8 :: CHI,CHI0,CHI1,DX,EN,P,PSI,PSI0,PSI1,XSTOP,YMOD \n real*8 :: TWO_N_M_ONE, TWO_N_P_ONE, EN1, FACTOR\n complex*16 :: AN,AN1,BN,BN1,DREFRL,XI,XI1,Y, Y1, DREFRL1\n complex*16 :: D(NMX)\n complex*16 :: FAC1, FAC2\n complex*16 :: XBACK\n\n\n!***********************************************************************\n! Subroutine BHMIE is the Bohren-Huffman Mie scattering subroutine\n! to calculate scattering and absorption by a homogenous isotropic\n! sphere.\n! Given:\n! X = 2*pi*a/lambda\n! REFREL = (complex refr. index of sphere)/(real index of medium)\n! real refractive index of medium taken as 1.0 \n! Returns:\n! QEXT = efficiency factor for extinction\n! QSCA = efficiency factor for scattering\n! QBACK = efficiency factor for backscatter\n! see Bohren & Huffman 1983 p. 122\n! GSCA = asymmetry for scattering\n!\n! Original program taken from Bohren and Huffman (1983), Appendix A\n! Modified by Prof. Bruce T.Draine, Princeton Univ. Obs., 90/10/26\n! in order to compute \n! 91/05/07 (BTD): Modified to allow NANG=1\n! 91/08/15 (BTD): Corrected error (failure to initialize P)\n! 91/08/15 (BTD): Modified to enhance vectorizability.\n! 91/08/15 (BTD): Modified to make NANG=2 if called with NANG=1\n! 91/08/15 (BTD): Changed definition of QBACK.\n! 92/01/08 (BTD): Converted to full double precision and double complex\n! eliminated 2 unneed lines of code\n! eliminated redundant variables (e.g. APSI,APSI0)\n! renamed RN -> EN = double precision N\n! Note that DOUBLE COMPLEX and DCMPLX are not part\n! of f77 standard, so this version may not be fully\n! portable. In event that portable version is\n! needed, use src/bhmie_f77.f\n! 93/06/01 (BTD): Changed AMAX1 to generic function MAX\n! FSB April 09,2012 This code was modified by: \n! Prof. Francis S. Binkowski University of North Carolina at\n! Chapel Hill, Institue for the Environment.\n!\n! The modifications were made to enhance computation speed \n! for use in a three-dimensional code. This was done by\n! removing code that calculated angular scattering. The method\n! of calculating QEXT, QBACK was also changed. \n \n!***********************************************************************\n!*** Safety checks\n\n\n\n BHMIE_SUCCESS = .TRUE.\n! NANG = 2 ! FSB only this value \n! IF(NANG.GT.MXNANG)STOP'***Error: NANG > MXNANG in bhmie'\n! IF (NANG .LT. 2) NANG = 2\n\n DX = REAL( X, 8 )\n! FSB D efine reciprocals so that divisions can be replaced by multiplications. \n DX1 = ONE / DX\n DXX1 = DX1 * DX1\n DREFRL = DCMPLX( REAL( REFREL ), IMAG( REFREL ) )\n DREFRL1 = ONE / DREFRL\n Y = DX * DREFRL\n Y1 = ONE / Y\n! YMOD = ABS(Y)\n \n!*** Series expansion terminated after NSTOP terms\n! Logarithmic derivatives calculated from NMX on down\n! XSTOP = X + 4.0 * X**0.3333 + 2.0\n! NMX = MAX(XSTOP,YMOD) + 15\n\n! BTD experiment 91/1/15: add one more term to series and compare results\n! NMX=AMAX1(XSTOP,YMOD)+16\n! test: compute 7001 wavelengths between .0001 and 1000 micron\n! for a=1.0micron SiC grain. When NMX increased by 1, only a single\n! computed number changed (out of 4*7001) and it only changed by 1/8387\n! conclusion: we are indeed retaining enough terms in series!\n\n FACTOR = 1.0D0\n \n! IF (NMX .GT. NMXX) THEN\n! WRITE(6,*)'Error: NMX > NMXX=',NMXX,' for |m|x=',YMOD\n! BHMIE_SUCCESS = .FALSE.\n! RETURN\n! END IF\n\n! FSB all code relating to scattering angles is removed out for\n! reasons of efficiency when running in a three-dimensional \n! code. We only need QQSCA, QQEXT, GSCA AND QBACK\n\n \n!*** Logarithmic derivative D(J) calculated by downward recurrence\n! beginning with initial value (0.,0.) \n \n D(NMX) = COMPLEX_DZERO\n NN = NMX - 1\n DO N = 1,NN\n EN = REAL( NMX - N + 1, 8 )\n! FSB In the following division by Y has been replaced by \n! multiplication by Y1, the reciprocal of Y. \n D(NMX-N) = ( EN * Y1 ) - (ONE / ( D(NMX-N+1) + EN * Y1)) \n END DO\n \n!*** Riccati-Bessel functions with real argument X\n! calculated by upward recurrence\n \n PSI0 = COS(DX)\n PSI1 = SIN(DX)\n CHI0 = -SIN(DX)\n CHI1 = PSI0\n XI1 = DCMPLX(PSI1,-CHI1)\n QSCA = 0.0D0\n GSCA = 0.0D0\n QEXT = 0.0D0\n P = -ONE\n XBACK = COMPLEX_DZERO\n\n! FSB Start main loop \n DO N = 1,NSTOP\n EN = REAL( N, 8 )\n EN1 = ONE / EN\n TWO_N_M_ONE = TWO * EN - ONE\n! for given N, PSI = psi_n CHI = chi_n\n! PSI1 = psi_{n-1} CHI1 = chi_{n-1}\n! PSI0 = psi_{n-2} CHI0 = chi_{n-2}\n! Calculate psi_n and chi_n\n PSI = TWO_N_M_ONE * PSI1 * DX1 - PSI0\n CHI = TWO_N_M_ONE * CHI1 * DX1 - CHI0\n XI = DCMPLX(PSI,-CHI)\n \n!*** Compute AN and BN:\n! FSB Rearrange to get common terms\n FAC1 = D(N) * DREFRL1 + EN * DX1 \n AN = (FAC1) * PSI - PSI1\n AN = AN / ( (FAC1 )* XI - XI1 )\n FAC2 = ( DREFRL * D(N) + EN * DX1)\n BN = ( FAC2) * PSI -PSI1\n BN = BN / ((FAC2) * XI - XI1 )\n\n! FSB calculate sum for QEXT as done by Wiscombe\n! get common factor\n TWO_N_P_ONE = (TWO * EN + ONE)\n QEXT = QEXT + (TWO_N_P_ONE) * (REAL(AN) + REAL(BN) ) \n QSCA = QSCA + (TWO_N_P_ONE) * ( ABS(AN)**2 + ABS(BN)**2 )\n \n! FSB calculate XBACK from B & H Page 122 \n FACTOR = -1.0d0 * FACTOR ! calculate (-1.0 ** N)\n XBACK = XBACK + (TWO_N_P_ONE) * factor * (AN - BN)\n \n! FSB calculate asymmetry factor \n \n GSCA = GSCA + REAL((TWO_N_P_ONE)/(EN * (EN + ONE)) * \n & (REAL(AN)*REAL(BN)+IMAG(AN)*IMAG(BN)))\n \n IF (N .GT. 1)THEN\n GSCA = GSCA + REAL((EN - EN1) \n & * (REAL(AN1)*REAL(AN) + IMAG(AN1)*IMAG(AN) \n & + REAL(BN1)*REAL(BN) + IMAG(BN1)*IMAG(BN)))\n ENDIF\n\n!*** Store previous values of AN and BN for use in computation of g=\n AN1 = AN\n BN1 = BN\n\n! FSB set up for next iteration\n PSI0 = PSI1\n PSI1 = PSI\n CHI0 = CHI1\n CHI1 = CHI\n XI1 = DCMPLX(PSI1,-CHI1)\n \n END DO ! main loop on n\n \n!*** Have summed sufficient terms.\n\n! Now compute QQSCA,QQEXT,QBACK,and GSCA\n GSCA = REAL( TWO / QSCA ) * GSCA\n\n! FSB in the following, divisions by DX * DX has been replaced by\n! multiplication by DXX1 the reciprocal of 1.0 / (DX *DX) \n QQSCA = REAL( TWO * QSCA * DXX1 )\n QQEXT = REAL( TWO * QEXT * DXX1 )\n QBACK = REAL( REAL( 0.5D0 * XBACK * CONJG(XBACK), 8 ) * DXX1 ) ! B&H Page 122\n\n END subroutine BHMIE_FLEXY\n\n end module wrf_fast_mie\n" }, { "path": "CCTM/src/phot/table/PHOT_MOD.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC $Header$\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n MODULE PHOT_MOD\n\n\n IMPLICIT NONE\n \n \n REAL, ALLOCATABLE :: RJ ( :, :, :, : ) ! average grid cell J-values (min-1)\n REAL, ALLOCATABLE :: RJ_RES( :, :, :, : ) ! resolved cloud J-values (min-1)\n REAL, ALLOCATABLE :: RJ_SUB( :, :, :, : ) ! subgrid cloud J-values (min-1)\n REAL, ALLOCATABLE :: CFRAC_2D_AVE( :,: ) ! layer averaged 3D fractional cloud coverage\n\n\n! REAL, ALLOCATABLE :: ETOT_SFC_WL ( :,:,: ) ! total downward irradiance at sfc [ Watts / m**2 ]\n \n!***Indices for specific photolysis rates \n\n INTEGER :: LNO2 = 0 \n INTEGER :: LO3O1D = 0\n INTEGER :: LO3O3P = 0\n INTEGER :: LACETONE = 0\n INTEGER :: LKETONE = 0\n INTEGER :: LMGLY_ADJ = 0\n INTEGER :: LMGLY_ABS = 0\n INTEGER :: LHCHOR_06 = 0\n INTEGER :: LH2O2 = 0\n INTEGER :: LHNO3 = 0\n INTEGER :: LACETONE_CO = 0 \n INTEGER :: LACETONE_CH3CO = 0\n \n ! Variables passed to the PM diagnostic output module, ELMO\n REAL, ALLOCATABLE, SAVE :: ELMO_AOD_550( :,: ) ! total aerosol optical depth at 550 nm (Angstrom Interpolation)\n REAL, ALLOCATABLE, SAVE :: ELMO_EXT_550( :,:,: ) ! aerosol extinction at 550 nm for layer [1/m]\n\n CONTAINS\n \n SUBROUTINE INIT_PHOT_SHARED()\n\n USE RXNS_DATA ! chemistry varaibles and data\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE UTILIO_DEFN\n! Purpose initialized arrays shared by other science processes \n IMPLICIT NONE\n!Arguments: None\n\n!Local: \n INTEGER :: ALLOCSTAT\n INTEGER :: JP\n CHARACTER( 240 ) :: XMSG = ' '\n LOGICAL :: ERROR_FLAG = .FALSE.\n\n LOGICAL, SAVE :: INITIALIZED = .FALSE.\n \n IF( INITIALIZED )RETURN\n \n INITIALIZED = .TRUE.\n\n ALLOCATE( RJ ( NCOLS, NROWS, NLAYS, NPHOTAB ),\n & RJ_RES ( NCOLS, NROWS, NLAYS, NPHOTAB ),\n & RJ_SUB ( NCOLS, NROWS, NLAYS, NPHOTAB ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating photolysis rate arrays'\n CALL M3EXIT ( 'INIT_PHOT_SHARED', 0, 0, XMSG, XSTAT1 )\n END IF\n\n! ALLOCATE( ETOT_SFC_WL( NCOLS,NROWS,NWL ), STAT = ALLOCSTAT )\n! IF ( ALLOCSTAT .NE. 0 ) THEN\n! XMSG = 'Failure allocating irradiance rate array'\n! CALL M3EXIT ( 'INIT_PHOT_SHARED', 0, 0, XMSG, XSTAT1 )\n! END IF\n\n RJ = 0.0; RJ_RES = 0.0; RJ_SUB = 0.0\n! ETOT_SFC_WL = 0.0\n\n DO JP = 1, NPHOTAB\n SELECT CASE ( PHOTAB( JP ) )\n!***check to see if this photolysis reaction is a special case.\n CASE( 'O3O3P', 'O3O3P_SAPRC99', 'O3O3P_06', 'O3_O3P_IUPAC04', 'O3O3P_NASA06', 'O3_O3P_IUPAC10' )\n LO3O3P = JP\n CASE( 'NO2', 'NO2_SAPRC99', 'NO2_06', 'NO2_RACM2', 'NO2_IUPAC10' )\n LNO2 = JP\n CASE( 'O3O1D', 'O3O1D_SAPRC99' , 'O3O1D_06', 'O3_O1D_IUPAC04', 'O3O1D_NASA06', 'O3_O1D_IUPAC10' )\n LO3O1D = JP\n CASE( 'KETONE', 'KET_RACM2' )\n LKETONE = JP\n CASE( 'MGLY_ADJ' )\n LMGLY_ADJ = JP\n CASE( 'MGLY_ABS' )\n LMGLY_ABS = JP\n CASE( 'ACETONE', 'CH3COCH3_RACM2', 'ACET_IUPAC10' )\n LACETONE = JP\n CASE( 'HCHOR_06', 'HCHO_R_SAPRC99', 'HCHO_RAD_RACM2', 'FORM_R_IUPAC10', 'HCHO_R_MCMv32' )\n LHCHOR_06 = JP\n CASE( 'ACET_CH3CO_CRI' )\n LACETONE_CH3CO = JP\n CASE( 'H2O2', 'H2O2_SAPRC99', 'H2O2_RACM2', 'H2O2_IUPAC10' )\n LH2O2 = JP\n CASE( 'HNO3', 'HNO3_IUPAC04', 'HNO3_IUPAC10', 'HNO3_RACM2' )\n LHNO3 = JP\n END SELECT\n END DO\n \n! IF ( LNO2 .EQ. 0 ) THEN\n! XMSG = 'NO2 photolysis not found in the mechanism! '\n! CALL M3WARN ( 'INIT_PHOT_SHARED', 0, 0, XMSG )\n! END IF\n! IF ( LO3O1D .EQ. 0 ) THEN\n! XMSG = 'O(1D) production by photolysis not found in the mechanism! '\n! CALL M3WARN ( 'INIT_PHOT_SHARED', 0, 0, XMSG )\n! END IF\n! IF ( LO3O3P .EQ. 0 ) THEN\n! MSG = 'O(3P) production by photolysis not found in the mechanism! '\n! CALL M3WARN ( 'INIT_PHOT_SHARED', 0, 0, XMSG )\n! END IF\n IF ( LH2O2 .EQ. 0 ) THEN\n XMSG = 'H2O2 photolysis not found in the mechanism! '\n ERROR_FLAG = .TRUE.\n CALL M3WARN ( 'INIT_PHOT_SHARED', 0, 0, XMSG )\n END IF\n IF ( LHNO3 .EQ. 0 ) THEN\n XMSG = 'HNO3 photolysis not found in the mechanism! '\n ERROR_FLAG = .TRUE.\n CALL M3WARN ( 'INIT_PHOT_SHARED', 0, 0, XMSG )\n END IF\n\n IF( ERROR_FLAG )THEN\n XMSG = 'The above fatal error(s) found initializing'\n CALL M3EXIT ( 'INIT_PHOT_SHARED', 0, 0, XMSG, XSTAT1 )\n END IF\n\n \n \n END SUBROUTINE INIT_PHOT_SHARED\n \n\n END MODULE PHOT_MOD\n" }, { "path": "CCTM/src/phot/table/opphot.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/CCTM/src/phot/phot_table/opphot.F,v 1.2 2011/10/21 16:11:29 yoj Exp $\n\n\n\nC $Header: /project/yoj/arc/CCTM/src/phot/phot_table/opphot.F,v 1.2 2011/10/21 16:11:29 yoj Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE OPPHOT ( JDATE, JTIME, TSTEP )\n\nC-----------------------------------------------------------------------\nC\nC FUNCTION: Opens the photolysis diagnostic file that contains values\nC of photolysis rates used by gas chemistry\nC\nC PRECONDITIONS REQUIRED:\nC None\nC\nC REVISION HISTORY:\nC Date Who What\nC -------- ---------- -----------------------------------------\nC 04/2011 B.Hutzell initial version created based on opphot.F in the \nC inline_phot module\nC 07 Jul 14 B.Hutzell: replaced mechanism include file(s) with fortran module\nC\nC-----------------------------------------------------------------------\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE RXNS_DATA ! chemical mechanism data\n USE UTILIO_DEFN\n\n IMPLICIT NONE\n\n INCLUDE SUBST_FILES_ID ! file name parameters\n\nC...Arguments\n\n INTEGER, INTENT( IN ) :: JDATE ! current model date, coded YYYYDDD\n INTEGER, INTENT( IN ) :: JTIME ! current model time, coded HHMMSS\n INTEGER, INTENT( IN ) :: TSTEP ! output time step\n\nC...Local variables\n\n CHARACTER( 16 ), SAVE :: PNAME = 'OPPHOT'\n CHARACTER( 16 ) :: LAMBDA\n CHARACTER( 96 ) :: XMSG = ' '\n\n INTEGER N, L, JWL ! loop variables\nC-----------------------------------------------------------------------\n\nC...Try to open existing file for update\n\n IF ( .NOT. OPEN3( CTM_RJ_2, FSRDWR3, PNAME ) ) THEN\n\n XMSG = 'Could not open ' // CTM_RJ_2 // ' file for update - '\n & // 'try to open new'\n CALL M3MESG ( XMSG )\n\nC...Set output file characteristics based on COORD.EXT and open\nC... the photolysis diagnostic file\n\n FTYPE3D = GRDDED3\n SDATE3D = JDATE\n STIME3D = JTIME\n TSTEP3D = TSTEP\n\n NVARS3D = NPHOTAB\n NCOLS3D = GL_NCOLS\n NROWS3D = GL_NROWS\n NLAYS3D = NLAYS\n NTHIK3D = 1\n GDTYP3D = GDTYP_GD\n P_ALP3D = P_ALP_GD\n P_BET3D = P_BET_GD\n P_GAM3D = P_GAM_GD\n XORIG3D = XORIG_GD\n YORIG3D = YORIG_GD\n XCENT3D = XCENT_GD\n YCENT3D = YCENT_GD\n XCELL3D = XCELL_GD\n YCELL3D = YCELL_GD\n VGTYP3D = VGTYP_GD\n VGTOP3D = VGTOP_GD\n GDNAM3D = GRID_NAME ! from HGRD_DEFN\n\n DO L = 1, NLAYS3D + 1\n VGLVS3D( L ) = VGLVS_GD( L )\n END DO\n\n FDESC3D( 1 ) = 'Photolysis rates file output'\n\n DO N = 2, MXDESC3\n FDESC3D( N ) = ' '\n END DO\n\nC...load data from photolysis reaction list\n\n DO N = 1, NPHOTAB\n VNAME3D( N ) = PHOTAB( N )\n VTYPE3D( N ) = M3REAL\n UNITS3D( N ) = 'min-1'\n VDESC3D( N ) = 'Photolysis rates for ' // VNAME3D( N )\n END DO\n\nC...Open the 2nd photolysis diagnostic file\n\n IF ( .NOT. OPEN3( CTM_RJ_2, FSNEW3, PNAME ) ) THEN\n XMSG = 'Could not create '// CTM_RJ_2 // ' file'\n CALL M3EXIT ( PNAME, SDATE3D, STIME3D, XMSG, XSTAT1 )\n END IF\n\n END IF\n\n RETURN\n\n END SUBROUTINE OPPHOT\n" }, { "path": "CCTM/src/phot/table/phot.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE PHOT ( CGRID, JDATE, JTIME, DTSTEP )\nC----------------------------------------------------------------------\nC Function:\nC PHOT, adapted from RADM, calculates the photolysis rate constants\nC to be used by the chemical solver.\nC It uses linear interpolation in time of day, height, and latitude\nC from file tabular values and optionally adjusts photolysis rates\nC above, below and in cumulus clouds.\n\nC Preconditions: HGRD_INIT() called from PAR_INIT, which is called from DRIVER\n\nC Subroutines/Functions called: opphot\n\nC Revision history:\nC prototype(adaptation from RADM), Rohit Mathur, April 1993.\nC major mods, Jeff Young, May 1994 - annotated and/or \"c\" in col 1\nC Some argument data are interpolated data and have not been stride-\nC offset in their leading dimension (July, 1994).\nC Modified by Jerry Gipson in June, 1995 to be consistent with\nC Gear solver code\nC Modified by Shawn Roselle (Sept/Oct 1995) to read new photolysis\nC table\nC Jeff - 22 Aug 96\nC modified by S. Roselle (10/16/97) to use a new formula for calculating\nC the optical depth\nC Jeff - 3 June 98 - generalize for phot. reactions tables\nC 02 October, 1998 by Al Bourgeois at LM: parallel implementation\nC 23 October, 1998 by Al Bourgeois to use SUM_CHK for parallel sum.\nC 30 Mar 01 J.Young: dyn alloc - Use HGRD_DEFN; allocatable arrays;\nC replace INTERP3 with INTERPX\nC 31 Jan 05 J.Young: dyn alloc - establish both horizontal & vertical\nC domain specifications in one module\nC 01 Dec 08 S.Roselle: dynamic allocation of arrays in jvalue input file:\nC allows for northern and southern hemisphere CMAQ\nC applications (issue reported by Erick Sperandio)\nC 23 Feb 11 S.Roselle: Replaced I/O API include files with UTILIO_DEFN\nC 06 Apr 11 B.Hutzell: added code that opens and writes photolysis rates\nC to an optional diagnostic file\nC 07 Jul 14 B.Hutzell: replaced mechanism include file(s) with fortran module\nC Aug 12, 15 D. Wong: Replaced MYPE with IO_PE_INCLUSIVE for parallel I/O implementation\nC Mar 12, 19 D. Wong: Implemented centralized I/O approach, removed all MY_N clauses\nC\nC----------------------------------------------------------------------\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE RXNS_DATA ! chemical mechanism data\n USE UTILIO_DEFN ! IO and other utility routines\n USE PHOT_MOD ! Module with photolysis rate arrays and pointers\n \n USE CENTRALIZED_IO_MODULE, ONLY : INTERPOLATE_VAR, LAT, LON, HT\n USE RUNTIME_VARS, ONLY : PHOTDIAG, START_DATE => STDATE, START_TIME => STTIME\n\n#ifdef parallel\n USE SE_MODULES ! stenex (using SE_UTIL_MODULE)\n#else\n USE NOOP_MODULES ! stenex (using NOOP_UTIL_MODULE)\n#endif\n\n IMPLICIT NONE\n\nC include files:\n\n INCLUDE SUBST_FILES_ID ! file name parameters\n INCLUDE SUBST_CONST ! physical constants\n\nC arguments:\n REAL, POINTER :: CGRID( :,:,:,: ) ! Species concentrations\n INTEGER, INTENT( IN ) :: JDATE ! current Julian date (YYYYDDD)\n INTEGER, INTENT( IN ) :: JTIME ! current time (HHMMSS)\n INTEGER, INTENT( IN ) :: DTSTEP( : ) ! time step vector (HHMMSS)\n\nC local parameters:\n\n INTEGER, PARAMETER :: ONE = 1.0E0 ! numerical 1.0\n\n REAL, PARAMETER :: MAOMW = MWAIR / MWWAT ! m.w. of air over m.w. of H2O\n\nC external functions: none\n\nC saved local variables:\n\n LOGICAL, SAVE :: FIRSTIME = .TRUE. ! Flag for first call to PHOT\n\n INTEGER, SAVE :: LOC_STDATE ! Julian date\n INTEGER, SAVE :: LOC_STTIME ! current time\n INTEGER, SAVE :: JPHOT ! # of photolytic reactions\n INTEGER, SAVE :: JVHT ! number of vertical levels\n INTEGER, SAVE :: JVTMAX ! number of hour angles\n INTEGER, SAVE :: JVLAT ! number of latitudes\n\n INTEGER, ALLOCATABLE, SAVE :: PHID( : ) ! index of phot tab name in file list\n\n REAL, SAVE :: STRTHR ! starting GMT hour\n REAL, SAVE :: JDSTRT ! current Julian day (DDD)\n\n REAL, ALLOCATABLE, SAVE :: XJVAL( :,:,:,: ) ! file jvalues\n REAL, ALLOCATABLE, SAVE :: XHAJV ( : ) ! hours from noon\n REAL, ALLOCATABLE, SAVE :: XLATJV( : ) ! latitudes of file photolytic rates\n REAL, ALLOCATABLE, SAVE :: XZJV ( : ) ! vertical heights of file photolytic\n REAL, ALLOCATABLE, SAVE :: ACLD ( : ) ! ??????????\n REAL, ALLOCATABLE, SAVE :: ZM ( :,:,: ) ! layer half height agl [m]\n\n\n CHARACTER( 16 ), SAVE :: PNAME = 'PHOT'\n CHARACTER( 16 ), ALLOCATABLE, SAVE :: PHOTNM( : )\n\n\n LOGICAL :: NDARK ! Are all cells in darkness?\n\nC scratch local variables:\n\n CHARACTER( 16 ) :: J2FILE = 'XJ_DATA'\n CHARACTER( 16 ) :: VARNM\n CHARACTER( 80 ) :: VARDESC ! env var description\n CHARACTER( 120 ) :: XMSG = ' '\n\n\n INTEGER JVUNIT\n INTEGER JVDATE ! Julian date on JVALUE file\n INTEGER :: CLDATT = 1 ! flag for cloud attenuation; 1=on,0=off\n INTEGER NDAYS ! local day angle\n INTEGER NT ! time loop index\n INTEGER NHT ! height loop index\n INTEGER NLAT ! latitude loop index\n INTEGER NPHOT ! photolysis rate loop index\n INTEGER NHTO ! dummy file height var\n INTEGER NLATO ! dummy file lat var\n INTEGER NPHOTO ! dummy file photolysis rate var\n INTEGER ROW\n INTEGER COL\n INTEGER LEV\n INTEGER JP ! loop indices\n INTEGER JVTM ! hour angle interpolation index\n INTEGER JLATN ! latitude interpolation index\n INTEGER KHTA ! altitude interpolation index\n INTEGER IOST ! i/o status code\n INTEGER ALLOCSTAT\n INTEGER ESTAT ! status from environment var check\n\n INTEGER ITMSTEP ! one half synchronization timestep (sec)\n INTEGER MDATE ! Date at time step midpoint\n INTEGER MTIME ! Time at time step midpoint\n\n REAL CURRHR ! current GMT hour\n REAL THETA ! function dummy argument\n REAL INCANG ! sun inclination angle\n REAL FTIMO ! hour angle interpolation weight\n REAL OMFTIMO ! 1 - FTIMO\n REAL FLATS ! latitude interpolation weight\n REAL OMFLATS ! 1 - FLATS\n REAL ZHT ! ht. of model layer above sea level\n REAL FHTA ! altitude interpolation weight\n REAL OMFHTA ! 1 - FHTA\n REAL LWP ! liquid water path--lwc*dz (g/m2)\n REAL JVAL ! interpolated J-values\n REAL CTOP ! cloud top in single dimension\n REAL CBASE ! cloud base in single dimension\n REAL ZLEV ! height in single dimension\n REAL CLDFR ! total fractional cloud coverage\n REAL CLOD ! cloud optical depth\n REAL ZEN ! cosine of zenith angle\n REAL TRANS ! transmitivity\n REAL FCLDA ! above cloud top factor\n REAL FCLDB ! below cloud base factor\n REAL ZREL ! in cloud height\n REAL X1 ! cloud attenuation interpolation term\n REAL X2 ! cloud attenuation interpolation term\n REAL FCLD ! cloud photolytic atten factor\n REAL JWT ( 8 ) ! combined interpolation weight\n REAL XLHA ( NCOLS, NROWS ) ! local hour angle\n REAL WBAR ( NCOLS, NROWS ) ! avg cloud liq water cont (g/m**3)\n REAL CLDT ( NCOLS, NROWS ) ! cloud top, as K index\n REAL CLDB ( NCOLS, NROWS ) ! cloud bottom, as K index\n REAL CFRAC( NCOLS, NROWS ) ! total fractional cloud coverage\n! REAL ZM ( NCOLS, NROWS, NLAYS ) ! Mid-layer ht. agl (m)\n REAL DUMP ! dump unwanted data read\n\n INTEGER, SAVE :: TSTEP ! current timestep\n\n! variables determining whether to write output diagnostics\n\n LOGICAL :: JTIME_CHK ! To check for JTIME to write RJ values\n INTEGER, SAVE :: ODATE ! output date\n INTEGER, SAVE :: OTIME ! output time\n INTEGER, SAVE :: OSTEP ! time since last write diagnostics \n\nC internal functions:\n\n REAL SINE ! sine of angle given in degrees\n REAL COSINE ! cosine of angle given in degrees\n\n SINE ( THETA ) = SIN ( PI180 * THETA )\n COSINE ( THETA ) = COS ( PI180 * THETA )\n\n\nC----------------------------------------------------------------------\n\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n LOC_STDATE = JDATE\n LOC_STTIME = JTIME\n STRTHR = FLOAT ( JTIME / 10000 )\n JDSTRT = FLOAT ( MOD ( JDATE, 1000 ) )\n TSTEP = DTSTEP( 1 ) ! output timestep for photolysis diagnostic files\n\n JVUNIT = GETEFILE( J2FILE, .TRUE., .TRUE., PNAME )\n\n IF ( JVUNIT .LT. 0 ) THEN\n XMSG = 'Error opening JVALUE file'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\nC...read julian start date from the file..............................\n\n READ( JVUNIT, *, IOSTAT = IOST ) JVDATE\n\n XMSG = 'Error reading file header from JVALUE file'\n IF ( IOST .NE. 0 )\n & CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n\nC...note differences in start dates to the log\n\n XMSG = 'Date on JVALUE file differs from model start date'\n IF ( JVDATE .NE. LOC_STDATE )\n & CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n\nC...read number of levels.............................................\n\n READ( JVUNIT, *, IOSTAT = IOST ) JVHT\n\n XMSG = 'Error reading number of LEVELS from JVALUE file'\n IF ( IOST .NE. 0 )\n & CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n\nC...allocate arrays dependent on number of levels\n\n ALLOCATE ( XZJV( JVHT ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating XZJV'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\nC...read levels\n\n READ( JVUNIT, *, IOSTAT = IOST ) ( XZJV( NHT ), NHT=1, JVHT )\n\n XMSG = 'Error reading LEVELS from JVALUE file'\n IF ( IOST .NE. 0 )\n & CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n\nC...read number of latitude bands.....................................\n\n READ( JVUNIT, *, IOSTAT = IOST ) JVLAT\n\n XMSG = 'Error reading number of LATITUDES from JVALUE file'\n IF ( IOST .NE. 0 )\n & CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n\nC...allocate arrays dependent on number of latitudinal bands\n\n ALLOCATE ( XLATJV( JVLAT ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating XLATJV'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\nC...read latitude bands\n\n READ( JVUNIT, *, IOSTAT = IOST ) ( XLATJV( NLAT ),\n & NLAT=1, JVLAT )\n\n XMSG = 'Error reading LATITUDES from JVALUE file'\n IF ( IOST .NE. 0 )\n & CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n\nC...read hour number angles...........................................\n\n READ( JVUNIT, *, IOSTAT = IOST ) JVTMAX\n\n XMSG = 'Error reading number of HOURS from JVALUE file'\n IF ( IOST .NE. 0 )\n & CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n\nC...allocate arrays dependent on number of hour angles\n\n ALLOCATE ( XHAJV( JVTMAX ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating XHAJV'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\nC...read hour angles\n\n READ( JVUNIT, *, IOSTAT = IOST ) ( XHAJV( NT ), NT=1, JVTMAX )\n\n XMSG = 'Error reading HOURS from JVALUE file'\n IF ( IOST .NE. 0 )\n & CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n\nC...read number of reactions..........................................\n\n READ( JVUNIT, *, IOSTAT = IOST ) JPHOT\n\n XMSG = 'Error reading number of REACTIONS from JVALUE file'\n IF ( IOST .NE. 0 )\n & CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n\nC...make sure number of reactions is correct\n\n XMSG = 'Photolysis reactions on JVALUE file do not '\n & //'match the expected list (NPHOTAB)'\n IF ( JPHOT .NE. NPHOTAB )\n & CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n\nC...allocate arrays dependent on number of photolysis reactions\n\n ALLOCATE ( PHOTNM( JPHOT ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating PHOTNM'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n ALLOCATE ( ACLD( JPHOT ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating ACLD'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n ALLOCATE ( PHID( JPHOT ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating PHID'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\nC...read reaction id's and ACLD array\n\n XMSG = 'Error reading REACTIONS and ACLD from JVALUE file'\n DO NPHOT = 1, JPHOT\n READ( JVUNIT, *, IOSTAT = IOST ) PHOTNM( NPHOT ),\n & ACLD( NPHOT )\n IF ( IOST .NE. 0 )\n & CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END DO\n\nC...check the file list\n\n DO NPHOT = 1, JPHOT\n PHID( NPHOT ) = 0\n END DO\n XMSG = 'File data does not have all required phot tables'\n DO NPHOT = 1, NPHOTAB\n PHID( NPHOT ) = INDEX1( PHOTAB( NPHOT ), JPHOT, PHOTNM )\n IF ( PHID( NPHOT ) .LE. 0 )\n & CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END DO\n\nC...allocate the XJVAL array\n\n ALLOCATE ( XJVAL( JPHOT, JVTMAX, JVLAT, JVHT ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating XJVAL'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\nC...read the j-values\n\n XMSG = 'Error reading jvalues from JVALUE file'\n DO NHT = 1, JVHT\n DO NLAT = 1, JVLAT\n DO NPHOT = 1, JPHOT\n\n READ( JVUNIT, *, IOSTAT = IOST ) NHTO, NLATO, NPHOTO\n\n IF ( IOST .NE. 0 )\n & CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n\n IF ( PHID( NPHOT ) .NE. 0 ) THEN\n\n READ( JVUNIT, *, IOSTAT = IOST )\n & ( XJVAL( PHID( NPHOT ), NT, NLAT, NHT ), NT = 1, JVTMAX )\n\n IF ( IOST .NE. 0 )\n & CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n\n ELSE\n\n READ( JVUNIT, *, IOSTAT = IOST ) DUMP\n\n IF ( IOST .NE. 0 )\n & CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n\n END IF\n\n END DO\n END DO\n END DO\n\nC...close the jvalue file\n\n CLOSE ( JVUNIT )\n\n ALLOCATE ( ZM( NCOLS,NROWS, NLAYS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating LAT'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n CALL INIT_PHOT_SHARED()\n\n\n ALLOCATE( ELMO_AOD_550 ( NCOLS,NROWS ) )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating 2D ELMO_AOD_550. Note that it is not used by this phot_table module'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n ELMO_AOD_550 = 0.0\n \n ALLOCATE ( ELMO_EXT_550( NCOLS,NROWS,NLAYS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating 3D ELMO_EXT_550. Note that it is not used by this phot_table module'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n ELMO_EXT_550 = 0.0\n\n IF ( PHOTDIAG ) THEN\nC...open the photolysis rate diagnostic files\n\n ODATE = START_DATE; OTIME = START_TIME; OSTEP = 0\n#ifdef phot_write_start\n IF ( IO_PE_INCLUSIVE ) CALL OPPHOT ( ODATE, OTIME, DTSTEP( 1 ) )\n#else\n CALL NEXTIME ( ODATE, OTIME, DTSTEP( 1 ) ) ! output timestamp ending time\n IF ( IO_PE_INCLUSIVE ) CALL OPPHOT ( ODATE, OTIME, DTSTEP( 1 ) )\n! reset ODATE and OTIME for counting \n ODATE = START_DATE; OTIME = START_TIME\n#endif\n END IF ! photdiag\n\n#ifdef parallel_io\n IF ( .NOT. IO_PE_INCLUSIVE ) THEN\n IF ( .NOT. OPEN3( CTM_RJ_2, FSNONIO, PNAME ) ) THEN\n XMSG = 'Could not open ' // TRIM(CTM_RJ_2)\n CALL M3EXIT( PNAME, ODATE, OTIME, XMSG, XSTAT1 )\n END IF\n END IF\n#endif\n\n CALL SUBST_BARRIER\n\n END IF ! FIRSTIME\n\nC...compute XLHA (local hr angle) deviation from noon\nC... correct for current *positive* West longitude convention\n\n IF ( PHOTDIAG ) THEN\n OSTEP = OSTEP + TIME2SEC( DTSTEP( 2 ) )\n JTIME_CHK = ( OSTEP .GE. TIME2SEC( DTSTEP( 1 ) ) )\n IF ( JTIME_CHK ) THEN \n OSTEP = 0\n CALL NEXTIME( ODATE, OTIME, DTSTEP( 1 ) )\n END IF\n#ifdef phot_write_start\n JTIME_CHK = ( ODATE .EQ. STDATE .AND. OTIME .EQ. STTIME )\n#endif \n ELSE\n JTIME_CHK = .FALSE.\n END IF\n \n CURRHR = STRTHR\n & + FLOAT ( SECSDIFF ( LOC_STDATE, LOC_STTIME, JDATE, JTIME ) )\n & / 3600.0\n NDARK = .TRUE.\n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n XLHA( COL, ROW ) = CURRHR + LON( COL, ROW ) / 15.0 - 12.0\n NDAYS = NINT ( XLHA( COL, ROW ) / 24.0 )\n XLHA( COL, ROW ) = ABS ( XLHA( COL, ROW ) - NDAYS * 24.0 )\n IF ( XLHA( COL, ROW ) .LE. XHAJV( JVTMAX ) ) NDARK = .FALSE.\n END DO\n END DO\n\nC...If sun below horizon at all cells, zero photolysis rates & exit\nC... (assumes sun below horizon at *all* levels!)\n\n IF ( NDARK ) THEN\n DO JP = 1, NPHOTAB\n DO LEV = 1, NLAYS\n DO ROW = 1, NROWS\n DO COL =1, NCOLS\n RJ( COL, ROW, LEV, JP ) = 0.0\n END DO\n END DO\n END DO\n END DO\n WRITE( LOGDEV, 1003) JDATE, JTIME\n1003 FORMAT( 8X, 'In darkness at ', I8.7, ':', I6.6,\n & 1X, 'GMT - no photolysis')\n\n IF ( PHOTDIAG .AND. JTIME_CHK ) THEN\n\n DO JP = 1, NPHOTAB\n IF ( .NOT. WRITE3( CTM_RJ_2, PHOTAB( JP ), JDATE,\n & JTIME, RJ( :,:,:,JP ) ) ) THEN\n XMSG = 'Could not write ' // CTM_RJ_2 // ' file'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END DO\n\n WRITE( LOGDEV, '( /5X, 3( A, :, 1X ), I8, \":\", I6.6 )' )\n & 'RJ Values written to', CTM_RJ_2,\n & 'for date and time', JDATE, JTIME\n\n END IF ! if photdiag .and. jtime_chk .eq. 0\n\n RETURN\n END IF\n\nC...Calculate mid date and time\n MDATE = JDATE\n MTIME = JTIME\n ITMSTEP = TIME2SEC( DTSTEP( 2 ) ) / 2\n CALL NEXTIME( MDATE, MTIME, SEC2TIME( ITMSTEP ) )\n\nC...Get heights of each level\n\n call interpolate_var ('ZH', mdate, mtime, ZM)\n\nC...compute clear-sky photolysis rates\n\n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n\nC...Compute interpolation indices and weighting factors\n\nC... hr angle interpolation indices\n\n JVTM = 2\n DO NT = 2, JVTMAX - 1\n IF ( XLHA( COL, ROW ) .GT. XHAJV( NT ) )\n & JVTM = NT + 1\n END DO\n\nC...hr angle weighting factors\n\n FTIMO = ( XHAJV( JVTM ) - XLHA( COL, ROW ) )\n & / ( XHAJV( JVTM ) - XHAJV( JVTM - 1 ) )\n OMFTIMO = ONE - FTIMO\n\nc...latitude interpolation indices\n\n JLATN = 2\n\n DO NLAT = 2, JVLAT - 1\n IF ( LAT( COL, ROW ) .GT. XLATJV( NLAT ) )\n & JLATN = NLAT + 1\n END DO\n\nC...latitude weighting factors\n\n FLATS = ( XLATJV( JLATN ) - LAT( COL, ROW ) )\n & / ( XLATJV( JLATN ) - XLATJV( JLATN - 1 ) )\n OMFLATS = ONE - FLATS\n\nC...height interpolation indices\n\n DO LEV = 1, NLAYS\n ZHT = ZM( COL, ROW, LEV ) + HT( COL, ROW )\n ZHT = MIN ( MAX ( ZHT, XZJV( 1 ) ), XZJV( JVHT ) )\n KHTA = 2\n\n DO NHT = 2, JVHT - 1\n IF ( ZHT .GT. XZJV( NHT ) ) KHTA = NHT + 1\n END DO\n\nC...height weighting factors\n\n FHTA = ( XZJV( KHTA ) - ZHT )\n & / ( XZJV( KHTA ) - XZJV( KHTA - 1 ) )\n OMFHTA = ONE - FHTA\n\nC...linear interpolation weighting factors\n\n JWT( 1 ) = OMFTIMO * OMFLATS * OMFHTA\n JWT( 2 ) = FTIMO * OMFLATS * OMFHTA\n JWT( 3 ) = OMFTIMO * FLATS * OMFHTA\n JWT( 4 ) = FTIMO * FLATS * OMFHTA\n JWT( 5 ) = OMFTIMO * OMFLATS * FHTA\n JWT( 6 ) = FTIMO * OMFLATS * FHTA\n JWT( 7 ) = OMFTIMO * FLATS * FHTA\n JWT( 8 ) = FTIMO * FLATS * FHTA\n\nC...Interpolate all photolysis rates at each COL, ROW\n\n DO JP = 1, NPHOTAB\n JVAL = JWT( 1 ) * XJVAL( JP, JVTM, JLATN, KHTA )\n & + JWT( 2 ) * XJVAL( JP, JVTM - 1, JLATN, KHTA )\n & + JWT( 3 ) * XJVAL( JP, JVTM, JLATN - 1, KHTA )\n & + JWT( 4 ) * XJVAL( JP, JVTM - 1, JLATN - 1, KHTA )\n & + JWT( 5 ) * XJVAL( JP, JVTM, JLATN, KHTA - 1 )\n & + JWT( 6 ) * XJVAL( JP, JVTM - 1, JLATN, KHTA - 1 )\n & + JWT( 7 ) * XJVAL( JP, JVTM, JLATN - 1, KHTA - 1 )\n & + JWT( 8 ) * XJVAL( JP, JVTM - 1, JLATN - 1,\n & KHTA - 1 )\n RJ( COL, ROW, LEV, JP ) = MAX ( JVAL, 0.0 )\n END DO\n\n END DO ! LEV\n END DO ! COL\n END DO ! ROW\n\nC...At this point, clear sky photolysis rates have been calculated.\nC... Only proceed if interested in cloud effects on RJ\n\n IF ( CLDATT .NE. 0 ) THEN\n\nC...Get time dependent non-layered data\n\nC...Read & Interpolate WBAR\n\n call interpolate_var ('WBAR', mdate, mtime, WBAR)\n\nC..Read & Interpolate CLDT\n\n call interpolate_var ('CLDT', mdate, mtime, CLDT)\n\nC..Read & Interpolate CLDB\n\n call interpolate_var ('CLDB', mdate, mtime, CLDB)\n\nC...Read & Interpolate CFRAC\n\n call interpolate_var ('CFRAC', mdate, mtime, CFRAC)\n\nC...inclination angle used for zenith angle calculation\n\n INCANG = 23.5 * SINE ( ( JDSTRT + CURRHR / 24.0 - 81.1875 )\n & * ( 90.0 / 91.3125 ) )\n\nC...loop through all cell and make the cloud correction\n\n DO ROW = 1, NROWS\n DO COL = 1, NCOLS\n\n CLDFR = CFRAC( COL, ROW )\n\n IF ( CLDFR .GE. 1.0E-05 ) THEN\n\nC...calculate cloud correction factors\nC... first compute the liquid water path in g/m2\n\n CTOP = CLDT( COL, ROW )\n CBASE = CLDB( COL, ROW )\n LWP = ( CTOP - CBASE ) * WBAR( COL, ROW )\n\nC...Calculate the cloud optical depth using a formula derived from\nC... Stephens (1978), JAS(35), pp2111-2132.\nC... only calculate the cloud optical depth when the liquid water\nC... path is >= 10 g/m2\n\n IF ( LWP .GE. 10.0 ) THEN\n CLOD = 10.0**( 0.2633 + 1.7095 * LOG( LOG10( LWP ) ) )\n ELSE\n CLOD = 0.0\n END IF\n\nC...If no cloud or optical depth < 5, set clear sky values.\nC... (i.e. don't do anything)\n\n IF ( CLOD .GE. 5.0 ) THEN\n\n DO LEV = 1, NLAYS\n ZLEV = ZM( COL, ROW, LEV )\n ZREL = ( ZLEV - CBASE ) / ( CTOP - CBASE )\n\nC...cos of the zenith angle, ( <= cos 60 degrees )\n\n ZEN = MAX ( SINE ( LAT( COL, ROW ) ) * SINE ( INCANG )\n & + COSINE ( LAT( COL, ROW ) )\n & * COSINE ( INCANG )\n & * COSINE ( XLHA( COL, ROW ) * 15.0 ),\n & 0.5\n & )\n TRANS = ( 5.0 - EXP ( -CLOD ) ) / ( 4.0 + 0.42 * CLOD )\n\nC...calculate cloud correction factors\n\nC... below cloud base\n\n FCLDB = 1.0 + CLDFR * ( 1.6 * ZEN * TRANS - 1.0 )\n X1 = CLDFR * ZEN * ( 1.0 - TRANS )\n X2 = FCLDB * ( 1.0 - ZREL )\n\nC... above cloud top\n\n DO JP = 1, NPHOTAB\n FCLDA = 1.0 + X1 * ACLD( PHID( JP ) )\n\nC... in cloud - linearly interpolate between base and top value\n\n FCLD = FCLDA * ZREL + X2\n IF ( ZLEV .LT. CBASE ) FCLD = FCLDB\n IF ( ZLEV .GT. CTOP ) FCLD = FCLDA\n\n RJ( COL, ROW, LEV, JP ) = FCLD\n & * RJ( COL, ROW, LEV, JP )\n\n RJ_RES( COL, ROW, LEV, JP ) = RJ( COL, ROW, LEV, JP )\n RJ_SUB( COL, ROW, LEV, JP ) = RJ( COL, ROW, LEV, JP )\n END DO\n END DO\n END IF\n END IF\n END DO\n END DO\n\n END IF\n\n IF ( PHOTDIAG .AND. JTIME_CHK ) THEN\n\n DO JP = 1, NPHOTAB\n IF ( .NOT. WRITE3( CTM_RJ_2, PHOTAB( JP ), ODATE, OTIME, RJ( :,:,:,JP ) ) ) THEN\n XMSG = 'Could not write ' // CTM_RJ_2 // ' file'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END DO\n\n WRITE( LOGDEV, '( /5X, 3( A, :, 1X ), I8, \":\", I6.6 )' )\n & 'RJ Values written to', CTM_RJ_2,\n & 'for date and time', JDATE, JTIME\n\n END IF ! if photdiag .and. jtime_chk .eq. 0\n\n RETURN\n END\n" }, { "path": "CCTM/src/plrise/smoke/delta_zs.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/CCTM/src/plrise/smoke/delta_zs.f,v 1.2 2011/10/21 16:11:30 yoj Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE DELTA_ZS( EMLAYS, MY_NSRC, SRC_MAP, STKHT, ZF, ZSTK, DDZF )\n\nC-----------------------------------------------------------------------\nC Function: Compute ZSTK and DDZF\n\nC Revision History:\nC 20 Nov 2007 J.Young: initial implementation\nC Aug 2015 D. Wong: Used assumed shape array declaration\n\nC-----------------------------------------------------------------------\n\n IMPLICIT NONE\n\n INTEGER, INTENT( IN ) :: EMLAYS\n INTEGER, INTENT( IN ) :: MY_NSRC\n INTEGER, INTENT( IN ) :: SRC_MAP( : )\n REAL, INTENT( IN ) :: STKHT( : )\n REAL, INTENT( IN ) :: ZF ( :,: )\n REAL, INTENT( OUT ) :: ZSTK( :,: )\n REAL, INTENT( OUT ) :: DDZF( :,: )\n\n REAL ZF0, ZF1\n INTEGER L, S, SRC\n\n DO S = 1, MY_NSRC\n SRC = SRC_MAP( S )\n\n ZF0 = ZF( 1,S )\n ZSTK( 1,S ) = ZF0 - STKHT( SRC )\n DDZF( 1,S ) = 1.0 / ZF0\n\n DO L = 2, EMLAYS\n ZF1 = ZF( L,S )\n ZSTK( L,S ) = ZF1 - STKHT( SRC )\n DDZF( L,S ) = 1.0 / ( ZF1 - ZF0 )\n ZF0 = ZF1\n END DO\n\n END DO\n\n RETURN\n\n END SUBROUTINE DELTA_ZS\n\n" }, { "path": "CCTM/src/plrise/smoke/fire_plmris.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE FIRE_PLMRIS( EMLAYS, LSTK, HFX, HMIX,\n & BFLX,\n & TSTK, USTAR, DTHDZ, TA, WSPD, \n & ZF, WSTK, ZPLM )\n\nC-----------------------------------------------------------------------\n \nC Description: \nC computes final effective plume centerline height.\n \nC Preconditions:\nC meteorology and stack parameters\n \nC Subroutines and Functions called:\n \nC Revision History:\nC Prototype 12/95 by CJC, based on Briggs algorithm adapted from\nC RADM 2.6 subroutine PLUMER() (but with completely different \nC data structuring).\nC Copied from plmris.F 4.4 by M Houyoux 3/99 \nC Aug 2015, D. Wong: Used assumed shape array declaration\nC Jan 2022, D. Wong: variable FIRSTIME is obsolete\n \nC-----------------------------------------------------------------------\nC Modified from:\n\nC Project Title: Sparse Matrix Operator Kernel Emissions (SMOKE) Modeling System\nC File: @(#)$Id: fire_plmris.F,v 1.2 2011/10/21 16:11:30 yoj Exp $\nC COPYRIGHT (C) 2002, MCNC Environmental Modeling Center\nC All Rights Reserved\nC See file COPYRIGHT for conditions of use.\nC Environmental Modeling Center\nC MCNC\nC P.O. Box 12889\nC Research Triangle Park, NC 27709-2889\nC smoke@emc.mcnc.org\nC Pathname: $Source: /project/yoj/arc/CCTM/src/plrise/smoke/fire_plmris.F,v $\nC Last updated: $Date: 2011/10/21 16:11:30 $ \nC-----------------------------------------------------------------------\n USE RUNTIME_VARS, ONLY : LOGDEV\n\n IMPLICIT NONE\n\nC Includes:\n INCLUDE SUBST_CONST ! physical and mathematical constants\n\nC Arguments:\n INTEGER, INTENT( IN ) :: EMLAYS ! no. of emission layers\n INTEGER, INTENT( IN ) :: LSTK ! lyr of top of fire, = RADM's KSTK\n REAL, INTENT( IN ) :: HFX ! sensible heat flux [m K/s]\n REAL, INTENT( IN ) :: HMIX ! mixing height [m]\n\n REAL, INTENT( IN ) :: BFLX ! Buoyancy Flux [m**4/s**3]\n\n REAL, INTENT( IN ) :: TSTK ! tmptr at top of fire [deg K]\n REAL, INTENT( IN ) :: USTAR ! friction velocity [m/s]\n REAL, INTENT( IN ) :: DTHDZ( : ) ! gradient of THETV\n REAL, INTENT( IN ) :: TA ( : ) ! temperature [deg K]\n REAL, INTENT( IN ) :: WSPD ( : ) ! wind speed [m/s]\n REAL, INTENT( IN ) :: ZF ( 0: ) ! layer surface height [m]\n REAL, INTENT( INOUT ) :: WSTK ! wind speed @ top of fire [m/s]\n ! OUT for reporting, only\n REAL, INTENT( OUT ) :: ZPLM ! initially, plume top height above fire,\n ! finally, plume centerline height [m]\n ! can be greater than the top of EMLAYS\n\nC Parameters:\n REAL, PARAMETER :: HCRIT = 1.0E-4 * 0.03 ! hfx min * tolerance\n REAL, PARAMETER :: SMALL = 3.0E-5 ! Criterion for stability\n REAL, PARAMETER :: D3 = 1.0 / 3.0 ! 1/ 3\n REAL, PARAMETER :: D6 = 1.0 / 6.0 ! 1/6\n REAL, PARAMETER :: D45 = 1.0 / 45.0 ! 1/45\n REAL, PARAMETER :: D2664 = 1.0 / 2.664 ! 1/ 2.664\n REAL, PARAMETER :: D59319 = 1.0 / 59.319 ! 1/59.319\n REAL, PARAMETER :: TWOTHD = 2.0 / 3.0 ! 2/3\n REAL, PARAMETER :: FIVETHD = 5.0 / 3.0 ! 5/3\n REAL, PARAMETER :: NODIV0 = 1.0 ! Prevent divide by zero\n \n REAL, PARAMETER :: ZERO = 0.0\n\nC Local Variables:\n INTEGER IQ ! stability class: 1-unstable, 2-neutral, 3-stable\n INTEGER LPLM ! first L: ZH(L) > Plume height ! same as RADM's KPR\n INTEGER NN ! Counter for interations through layers\n REAL DH ! plume rise increment to center of the plume\n REAL DHM ! plume rise from momentum\n REAL DHSM ! stable momentum plume rise\n REAL DHN ! plume rise for neutral case\n REAL DHT ! plume rise increment to the top of the plume\n REAL HSTAR ! convective scale at fire (m**2/s**3)\n REAL PX, RX, SX ! scratch coefficients\n REAL RBFLX ! residual buoyancy flux (m**4/s**3)\n REAL TPLM ! temperature at top of plume (m/s)\n REAL WPLM ! wind speed at top of plume (m/s)\n REAL ZMIX ! hmix - hs\n\nC Statement Functions:\n REAL B, S, U, US ! arguments\n \n REAL NEUTRL ! neutral-stability plume rise function\n REAL STABLE ! stable plume rise function\n REAL UNSTBL ! unstable plume rise function\n\n NEUTRL( B, U, US ) = 1.3327804 * B / ( U * US * US )\n\n STABLE( B, U, S ) = 2.6 * ( B / ( U * S ) ) ** D3\n UNSTBL( B, U ) = 30.0 * ( B / U ) ** 0.6\n\nC-----------------------------------------------------------------------\n\nC Compute convective scale.\n\n HSTAR = GRAV * HFX / TA( 1 ) ! Using surface temperature is correct\n\nC Initialize layer of plume\n LPLM = LSTK\n\nC Compute momentum rise ( set min wind speed to 1 m/s)\n WSTK = MAX( WSTK, 1.0 )\n DHM = ZERO\n\nC Compute initial plume rise from fire top to next level surface:\n\n IF ( HSTAR .GT. HCRIT ) THEN ! unstable case:\n ZMIX = HMIX \n\n IF ( ZMIX .LE. 0.0 ) THEN ! Fire above mixing height:\n SX = MAX( GRAV * DTHDZ( LPLM ) / TSTK, SMALL )\n\nC Reset the wind speed at fire to the wind speed at plume when the layer\nC of the plume is not equal to the layer of the fire.\n IF ( LPLM .NE. LSTK ) THEN\n WSTK = WSPD( LPLM )\n IF ( WSTK .EQ. 0.0 ) WSTK = NODIV0\n END IF\n\nC Compute the stable momentum rise, for layer of the fire.\n IF ( DTHDZ( LPLM ) .GT. 0.001 ) THEN\n DHSM = ZERO\n ELSE\n DHSM = DHM ! Set it to DHM, if THGRAD too small\n END IF\n DHM = MIN( DHSM, DHM )\n\nC Compute the neutral and stable plume rises. \n DHN = NEUTRL( BFLX, WSTK, USTAR )\n DH = STABLE( BFLX, WSTK, SX )\n\n IF ( DHN .LT. DH ) THEN ! Take the minimum of neutral and stable\n DH = DHN\n IQ = 2\n ELSE \n IQ = 3 \n END IF\n\n IF ( DHM .GT. DH .AND. WSTK .GT. 1.0 ) THEN\n DH = DHM\n IQ = 4\n END IF\n DHT = 1.5 * DH\n\n ELSE ! unstable case:\n DH = UNSTBL( BFLX, WSTK )\n DHN = NEUTRL( BFLX, WSTK, USTAR )\n\n IF ( DHN .LT. DH ) THEN\n DH = DHN\n IQ = 2\n ELSE\n IQ = 1\n END IF\n\n IF ( DHM .GT. DH .AND. WSTK .GT. 1.0 ) THEN\n DH = DHM\n IQ = 4 \n END IF\n\n DHT = 1.5 * DH\n\n END IF\n\n ELSE IF ( HSTAR .LT. -HCRIT .OR. DTHDZ( LSTK ) .GT. 0.001 ) THEN ! stable case:\n\n SX = MAX( GRAV * DTHDZ( LSTK ) / TSTK, SMALL )\n DHT = 1.5 * STABLE( BFLX, WSTK, SX )\n DHN = 1.5 * NEUTRL( BFLX, WSTK, USTAR )\n IF ( DHN .LT. DHT ) THEN\n DHT = DHN\n IQ = 2\n ELSE\n IQ = 3\n END IF\n\n ELSE ! neutral case:\n\n DHT = 1.5 * NEUTRL( BFLX, WSTK, USTAR )\n IQ = 2\n\n END IF ! hstar ==> unstable, stable, or neutral\n \nC Compute further plume rise from between level surfaces:\n NN = 0\n RBFLX = BFLX\n ZPLM = DHT\n\nC End calculations if the momentum rise was used in the calculation\n\n IF ( IQ .EQ. 4 ) GO TO 199 ! to point past iterative buoyancy loop\n\n DO ! loop computing further plume rise\n\n RX = ZPLM - ZF( LPLM )\n IF ( RX .LE. 0.0 ) THEN\n EXIT ! exit plume rise loop\n END IF\n\n IF ( LPLM .EQ. EMLAYS ) THEN ! we're finished\n ZPLM = MIN( ZPLM, ZF( EMLAYS ) )\n WRITE( LOGDEV,'(5X, A, I3, F10.3)' )\n & 'Plume rise reached EMLAYS with ZPLM:', EMLAYS, ZPLM\n EXIT ! exit plume rise loop\n END IF\n\nC Reset met data. NOTE- the original RADM code submitted the \nC WSPD and TA to an interpolator, but then requested the height of\nC interpolation identical to ZH( LPLM ).\n NN = NN + 1\n IF ( NN .GT. 1 ) THEN\n WPLM = WSPD( LPLM )\n TPLM = TA ( LPLM )\n ELSE ! 1st time, use stack values ...\n WPLM = WSTK\n TPLM = TSTK\n END IF\n \nC Compute residual bflx by stability case IQ:\n\n IF ( IQ .EQ. 1 ) THEN\n RX = D45 * RX ! Includes the 1.5 factor for plume top\n RBFLX = WPLM * ( RX ** FIVETHD )\n ELSE IF ( IQ .EQ. 2 ) THEN\n PX = TWOTHD * ZPLM \n RBFLX = D2664 * ( RX ** FIVETHD ) * WPLM * ( USTAR * USTAR ) / PX ** TWOTHD\n ELSE ! else iq = 3:\n RBFLX = D59319 * WPLM * SX * RX ** 3\n END IF ! if stability flag iq is 1, 2, or 3\n\nC Increment the layer number below.\n IF ( LPLM .LT. EMLAYS ) LPLM = LPLM + 1\n WPLM = WSPD( LPLM )\n TPLM = TA ( LPLM )\n\nC Prevent divide-by-zero by WPLM\n IF ( WPLM .EQ. 0.0 ) WPLM = NODIV0\n\nC Process according to stability cases:\n SX = GRAV * DTHDZ( LPLM ) / TPLM\n IF ( SX .GT. SMALL ) THEN ! stable case:\nC Use the theta gradient to determine pr eqn.\n DHT = 1.5 * STABLE( RBFLX, WPLM, SX )\n DHN = 1.5 * NEUTRL( RBFLX, WPLM, USTAR )\n IF ( DHN .LT. DHT ) THEN\n DHT = DHN\n IQ = 2\n ELSE\n IQ = 3\n END IF\n DH = DHT / 1.5\n ELSE ! if upper layer is not stable, use neutral formula\n \n DHN = NEUTRL( RBFLX, WPLM, USTAR )\n DH = UNSTBL( RBFLX, WPLM )\n IQ = 1\n IF ( DHN .LT. DH ) THEN\n DH = DHN\n IQ = 2\n END IF\n DHT = 1.5 * DH\n\n END IF\n \n ZPLM = ZF( LPLM-1 ) + DHT\n DH = ZF( LPLM-1 ) + DH \n \n END DO ! end loop computing further plume rise\n\n199 CONTINUE\n\nC Compute plume rise amount (DH) and actual final plume centerline height (ZPLM):\n DH = TWOTHD * ZPLM\n ZPLM = DH \n\n RETURN\n\n END SUBROUTINE FIRE_PLMRIS\n" }, { "path": "CCTM/src/plrise/smoke/openlayout.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE OPENLAYOUT( SDATE, STIME, TSTEP, EMLAYS, VGLVSXG,\n & NPTGRPS, MY_NSRC, LNAME )\n\nC-----------------------------------------------------------------------\n \nC Description:\nC Opens the diagnostic layer fractions file(s).\n \nC Preconditions:\n \nC Subroutines and Functions Called:\nC I/O API \n\nC Revision History:\nC 16 Feb 2011 S.Roselle: replaced I/O API include files with UTILIO_DEFN\nC 26 Sep 2016 D.Wong: reformatted PLAY_BASE variable as PLAY_BASE_*\nC rather than PLAY_BASE*_\n\nC-----------------------------------------------------------------------\nC Modified from:\n\nC Project Title: Sparse Matrix Operator Kernel Emissions (SMOKE) Modeling\nC System\nC File: @(#)$Id: openlayout.F,v 1.4 2011/10/21 16:11:30 yoj Exp $\nC COPYRIGHT (C) 2002, MCNC Environmental Modeling Center\nC All Rights Reserved\nC See file COPYRIGHT for conditions of use.\nC Environmental Modeling Center\nC MCNC\nC P.O. Box 12889\nC Research Triangle Park, NC 27709-2889\nC smoke@emc.mcnc.org\nC Pathname: $Source: /project/yoj/arc/CCTM/src/plrise/smoke/openlayout.F,v $\nC Last updated: $Date: 2011/10/21 16:11:30 $ \n \nC-----------------------------------------------------------------------\n\n USE RUNTIME_VARS, ONLY : LOGDEV, PLAY_BASE\n USE HGRD_DEFN, ONLY: MYPE\n USE UTILIO_DEFN\n\n IMPLICIT NONE\n \nC Includes:\n\nC Local Parameters:\n\nC Arguments:\n INTEGER, INTENT( IN ) :: SDATE ! Julian start date\n INTEGER, INTENT( IN ) :: STIME ! start time (HHMMSS)\n INTEGER, INTENT( IN ) :: TSTEP ! time step (HHMMSS)\n INTEGER, INTENT( IN ) :: EMLAYS ! number of emissions layers\n REAL, INTENT( IN ) :: VGLVSXG( 0: ) ! vertical coord values\n INTEGER, INTENT( IN ) :: NPTGRPS ! number of output files\n INTEGER, INTENT( IN ) :: MY_NSRC( : ) ! number of point sources\n CHARACTER( * ), INTENT( OUT ) :: LNAME( : ) ! layer fractions logical file name\n\nC Local variables:\n\n INTEGER J, N\n CHARACTER( 256 ) :: XMSG ! buffer for M3EXIT() messages\n CHARACTER( 16 ) :: PNAME = 'OPENLAYOUT' ! procedure name\n\n CHARACTER( 3 ) :: CMYPE\n CHARACTER( 4 ) :: POSTSTR = '.ncf'\n CHARACTER( 96 ) :: PLAY_EQ\n CHARACTER( 96 ) :: EQNAME\n CHARACTER( 256 ) :: BASE\n\n INTEGER :: IOS\n\nC-----------------------------------------------------------------------\n\n#ifndef mpas\nC Set up and open diagnostic file(s)\n\n FTYPE3D = GRDDED3\n SDATE3D = SDATE\n STIME3D = STIME\n TSTEP3D = TSTEP\n\n NROWS3D = EMLAYS\n NLAYS3D = 1\n NTHIK3D = 1\n NVARS3D = 2\n GDTYP3D = IMISS3\n P_ALP3D = AMISS3\n P_BET3D = AMISS3\n P_GAM3D = AMISS3\n XCENT3D = AMISS3\n YCENT3D = AMISS3\n XORIG3D = AMISS3\n YORIG3D = AMISS3\n XCELL3D = AMISS3\n YCELL3D = AMISS3\n VGTYP3D = IMISS3\n VGTOP3D = AMISS3\n GDNAM3D = ' '\n\n VNAME3D = ' ' ! array\n VTYPE3D = 0 ! array\n UNITS3D = '' ! array\n VDESC3D = ' ' ! array\n VNAME3D( 1 ) = 'LFRAC'\n VTYPE3D( 1 ) = M3REAL\n UNITS3D( 1 ) = '1'\n VDESC3D( 1 ) = 'Fraction of plume emitted into layer'\n VNAME3D( 2 ) = 'ZPLUME'\n VTYPE3D( 2 ) = M3REAL\n UNITS3D( 2 ) = '1'\n VDESC3D( 2 ) = 'plume elevation above ground'\n\n VGLVS3D = 0.0 ! array\n J = LBOUND( VGLVS3D, 1 )\n VGLVS3D( J:J+EMLAYS ) = VGLVSXG( 0:EMLAYS ) ! array\n VGTYP3D = -1\n VGTOP3D = 0.0\n\n UPNAM3D = 'DISTR_GRIDDED' ! Mandatory!\n\n FDESC3D = ' ' ! array\n FDESC3D( 1 ) = 'By-source hourly plume rise layer fractions'\n FDESC3D( 2 ) = '/FROM/ ' // PNAME\n FDESC3D( 3 ) = '/VERSION/ Inline'\n\n WRITE( CMYPE,'(I3.3)' ) MYPE\n DO N = 1, NPTGRPS\n\n IF ( MY_NSRC( N ) .GT. 0 ) THEN\n NCOLS3D = MY_NSRC( N )\n\n PLAY_EQ = TRIM( PLAY_BASE( N ) ) // '_' // CMYPE // POSTSTR\n WRITE( LNAME( N ),'( \"PLAY_\", I2.2 )' ) N\n IF ( .NOT. SETENVVAR ( LNAME( N ), PLAY_EQ ) ) THEN\n XMSG = 'Could not set environment variable for ' // PLAY_EQ\n CALL M3EXIT( PNAME, SDATE, STIME, XMSG, XSTAT3 )\n END IF\n IF ( .NOT. OPEN3( LNAME( N ), FSNEW3, UPNAM3D ) ) THEN\n XMSG = 'Could not open ' // TRIM( FDESC3D( 1 ) ) // ' file'\n CALL M3EXIT( PNAME, SDATE, STIME, XMSG, XSTAT1 )\n END IF\n\n ELSE\n\n WRITE( LOGDEV,1009 ) N\n\n END IF\n\n END DO\n#endif\n\n RETURN\n\n1009 FORMAT( /5X, 'No sources in this subdomain for file sector', I2\n & /5X, 'Therefore no plume layer fraction file created' )\n\n END SUBROUTINE OPENLAYOUT\n" }, { "path": "CCTM/src/plrise/smoke/oppt3d_diag.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/CCTM/src/plrise/smoke/oppt3d_diag.F,v 1.3 2011/10/21 16:11:31 yoj Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE OPPT3D_DIAG( PT3DNAME, TSTEP, \n & N_SPC, SPEC_NAME, SPEC_UNITS )\n\nC-----------------------------------------------------------------------\n \nC Description:\nC Opens the output 3d point source emissions diagnostic file\n \nC Preconditions:\n \nC Subroutines and Functions Called:\nC I/O API \n\nC Revision History:\nC 4 Sep 2007 J.Young: initial\nC 29 Jan 2010 D. Wong: Eliminate potential race condition at the MYPE = 0\nC to open the diagnostic file. Eliminate the BARRIER\nC and the CLOSE3 and OPEN3.\nC 16 Feb 2011 S.Roselle: replaced I/O API include files with UTILIO_DEFN\nC Aug 2015 D. Wong: Replaced MYPE with IO_PE_INCLUSIVE for parallel I/O\nC implementation\nC-----------------------------------------------------------------------\n USE RUNTIME_VARS\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE UTILIO_DEFN\n USE DESID_VARS, ONLY : DESID_LAYS\n\n IMPLICIT NONE\n \nC Includes:\n\nC External Functions:\n\nC Local Parameters:\n\nC Arguments:\n CHARACTER( 16 ), INTENT( IN ) :: PT3DNAME ! diagnostic file logical name\n INTEGER, INTENT( IN ) :: TSTEP ! time step (HHMMSS)\n INTEGER, INTENT( IN ) :: N_SPC ! number of point source surrogates\n CHARACTER( 16 ), INTENT( IN ) :: SPEC_NAME( N_SPC ) ! species names\n CHARACTER( 16 ), INTENT( IN ) :: SPEC_UNITS( N_SPC ) ! units\n\nC Local variables:\n\n INTEGER L, V, IOS\n CHARACTER( 256 ) :: XMSG ! buffer for M3EXIT() messages\n CHARACTER( 256 ) :: RET_VAL ! env var returned value\n CHARACTER( 16 ) :: PNAME = 'OPPT3DDIAG' ! procedure name\n\nC-----------------------------------------------------------------------\n\n#ifndef mpas\nC Set output file characteristics based on GRID_CONF module and open the 3D emis file\n\n FTYPE3D = GRDDED3\n SDATE3D = STDATE\n STIME3D = STTIME\n TSTEP3D = TSTEP\n NCOLS3D = GL_NCOLS\n NROWS3D = GL_NROWS\n NLAYS3D = DESID_LAYS\n NTHIK3D = 1\n NVARS3D = N_SPC\n GDTYP3D = GDTYP_GD\n P_ALP3D = P_ALP_GD\n P_BET3D = P_BET_GD\n P_GAM3D = P_GAM_GD\n XORIG3D = XORIG_GD\n YORIG3D = YORIG_GD\n XCENT3D = XCENT_GD\n YCENT3D = YCENT_GD\n XCELL3D = XCELL_GD\n YCELL3D = YCELL_GD\n VGTYP3D = VGTYP_GD\n VGTOP3D = VGTOP_GD\n GDNAM3D = GRID_NAME ! from HGRD_DEFN\n\n DO L = 1, NLAYS3D + 1\n VGLVS3D( L ) = VGLVS_GD( L )\n END DO\n\n VNAME3D = ' ' ! array\n DO V = 1, N_SPC\n VNAME3D( V ) = SPEC_NAME( V )\n END DO\n\n VTYPE3D = 0 ! array\n VTYPE3D( 1:NVARS3D ) = M3REAL\n\n UNITS3D = ' ' ! array\n DO V = 1, N_SPC\n UNITS3D( V ) = SPEC_UNITS( V )\n END DO\n\n VDESC3D = ' ' ! array\n DO V = 1, N_SPC\n VDESC3D( V ) = 'Model species: ' // TRIM( SPEC_NAME( V ) )\n END DO\n\n FDESC3D = ' ' ! array\n FDESC3D( 1 ) = 'gridded hourly point source layered emissions'\n FDESC3D( 2 ) = '/From/ ' // PNAME\n FDESC3D( 3 ) = '/Version/ Inline'\n\nC create header\n\n IF ( IO_PE_INCLUSIVE ) THEN ! open new\n IF ( .NOT. OPEN3( PT3DNAME, FSNEW3, PNAME ) ) THEN\n XMSG = 'Could not open ' // TRIM( PT3DNAME )\n CALL M3EXIT( PNAME, STDATE, STTIME, XMSG, XSTAT1 )\n END IF\n END IF\n#endif\n\n RETURN\n\n END SUBROUTINE OPPT3D_DIAG\n\n" }, { "path": "CCTM/src/plrise/smoke/plmris.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE PLMRIS( EMLAYS, LSTK, HFX, HMIX,\n & STKDM, STKHT, STKTK, STKVE,\n & TSTK, USTAR, DTHDZ, TA, WSPD,\n & ZF, ZH, ZSTK, WSTK, ZPLM )\n\nC-----------------------------------------------------------------------\n \nC Description: \nC computes final effective plume centerline height.\n \nC Preconditions:\nC meteorology and stack parameters\n \nC Subroutines and Functions Called:\n \nC Revision History:\nC Prototype 12/95 by CJC, based on Briggs algorithm adapted from\nC RADM 2.6 subroutine PLUMER() (but with completely different \nC data structuring).\nC Copied from plmris.F 4.4 by M Houyoux 3/99 \nC Aug 2015, D. Wong: Used assumed shape array declaration\nC Jan 2022, D. Wong: Variable FIRSTIME is obsolete\n \nC-----------------------------------------------------------------------\nC Modified from:\n \nC Project Title: Sparse Matrix Operator Kernel Emissions (SMOKE) Modeling System\nC File: @(#)$Id: plmris.F,v 1.2 2011/10/21 16:11:31 yoj Exp $\nC COPYRIGHT (C) 2002, MCNC Environmental Modeling Center\nC All Rights Reserved\nC See file COPYRIGHT for conditions of use.\nC Environmental Modeling Center\nC MCNC\nC P.O. Box 12889\nC Research Triangle Park, NC 27709-2889\nC smoke@emc.mcnc.org\nC Pathname: $Source: /project/yoj/arc/CCTM/src/plrise/smoke/plmris.F,v $\nC Last updated: $Date: 2011/10/21 16:11:31 $ \n \nC-----------------------------------------------------------------------\n USE RUNTIME_VARS, ONLY : LOGDEV\n\n IMPLICIT NONE\n\nC Includes:\n INCLUDE SUBST_CONST ! physical and mathematical constants\n\nC Arguments:\n INTEGER, INTENT( IN ) :: EMLAYS ! no. of emission layers\n INTEGER, INTENT( IN ) :: LSTK ! lyr of top of stack, = RADM's KSTK\n REAL, INTENT( IN ) :: HFX ! sensible heat flux [m K/s]\n REAL, INTENT( IN ) :: HMIX ! mixing height [m]\n REAL, INTENT( IN ) :: STKDM ! stack diameter [m]\n REAL, INTENT( IN ) :: STKHT ! stack height [m]\n REAL, INTENT( IN ) :: STKTK ! exhaust temperature [deg K]\n REAL, INTENT( IN ) :: STKVE ! exhaust velocity [m/s]\n REAL, INTENT( IN ) :: TSTK ! tmptr at top of stack [deg K]\n REAL, INTENT( IN ) :: USTAR ! friction velocity [m/s]\n REAL, INTENT( IN ) :: DTHDZ( : ) ! gradient of THETV\n REAL, INTENT( IN ) :: TA ( : ) ! temperature [deg K]\n REAL, INTENT( IN ) :: WSPD ( : ) ! wind speed [m/s]\n REAL, INTENT( IN ) :: ZF ( 0: ) ! layer surface height [m]\n REAL, INTENT( IN ) :: ZH ( : ) ! layer center height [m]\n REAL, INTENT( IN ) :: ZSTK ( : ) ! zf( l ) - stkht [m]\n REAL, INTENT( INOUT ) :: WSTK ! wind speed @ top of stack [m/s]\n ! OUT for reporting, only\n REAL, INTENT( OUT ) :: ZPLM ! temporarily, plume top height\n ! above stack, finally plume centerline\n ! height [m] (can be greater than the\n ! height of the top of the EMLAYS layer)\n\nC Parameters:\n REAL, PARAMETER :: HCRIT = 1.0E-4 * 0.03 ! hfx min * tolerance\n REAL, PARAMETER :: SMALL = 3.0E-5 ! Criterion for stability\n REAL, PARAMETER :: D3 = 1.0 / 3.0\n REAL, PARAMETER :: D6 = 1.0 / 6.0\n REAL, PARAMETER :: D45 = 1.0 / 45.0\n REAL, PARAMETER :: D2664 = 1.0 / 2.664\n REAL, PARAMETER :: D59319 = 1.0 / 59.319\n REAL, PARAMETER :: TWOTHD = 2.0 / 3.0\n REAL, PARAMETER :: FIVETHD = 5.0 / 3.0\n\nC Local Variables:\n INTEGER IQ ! stability class: 1=unstbl, 2=neut, 3=stbl, 4=use DHM\n INTEGER LPLM ! first L: ZH(L) > Plume height ! same as RADM's KPR\n INTEGER NN ! counter for interations through layers\n REAL BFLX ! buoyancy flux (m**4/s**3)\n REAL DH ! plume rise increment to center of the plume\n REAL DHM ! plume rise from momentum\n REAL DHSM ! stable momentum plume rise\n REAL DHN ! plume rise for neutral case\n REAL DHT ! plume rise increment to the top of the plume\n REAL HSTAR ! convective scale at stack (m**2/s**3)\n REAL PX, RX, SX ! scratch coefficients\n REAL RBFLX ! residual buoyancy flux (m**4/s**3)\n REAL TPLM ! temperature at top of plume (m/s)\n REAL WPLM ! wind speed at top of plume (m/s)\n REAL ZMIX ! hmix - hs\n\nC Statement Functions:\n REAL B, H, S, U, US ! arguments\n REAL NEUTRL ! neutral-stability plume rise function\n REAL STABLE ! stable plume rise function\n REAL UNSTBL ! unstable plume rise function\n\n NEUTRL( H, B, U, US ) =\n & MIN( 10.0 * H, \n & 1.2 * ( ( B / ( U * US * US ) ) ** 0.6 ! pwr 3 * 0.2\n & * ( H + 1.3 * B / ( U * US * US ) ) ** 0.4 ) ) ! pwr 2 * 0.2\n STABLE( B, U, S ) = 2.6 * ( B / ( U * S ) ) ** D3\n UNSTBL( B, U ) = 30.0 * ( B / U ) ** 0.6\n\nC-----------------------------------------------------------------------\n\nC Compute convective scale, buoyancy flux.\n\n HSTAR = GRAV * HFX / TA( 1 ) ! Using surface temperature is correct\n BFLX = 0.25 * GRAV * ( STKTK - TSTK ) * STKVE * STKDM * STKDM / STKTK\n\nC Initialize layer of plume\n LPLM = LSTK\n\nC Compute momentum rise ( set min wind speed to 1 m/s)\n WSTK = MAX( WSTK, 1.0 )\n DHM = 3.0 * STKDM * STKVE / WSTK\n\nC When BFLX <= zero, use momentum rise only\nC NOTE: This part of algorithm added based on Models-3 plume rise\n\n IF ( BFLX .LE. 0.0 ) THEN\nC (06/02) Set the ZPLM plume rise height to the momentum value DHM above\n ZPLM = STKHT + MAX( DHM, 2.0 )\n RETURN\n END IF\n\nC Compute initial plume rise from stack top to next level surface:\n\n IF ( HSTAR .GT. HCRIT ) THEN ! unstable case:\n ZMIX = HMIX - STKHT\n\n IF ( ZMIX .LE. 0.0 ) THEN ! Stack at or above mixing height:\n SX = MAX( GRAV * DTHDZ( LPLM ) / TSTK, SMALL )\n\nC Reset the wind speed at stack to the wind speed at plume when the layer\nC of the plume is not equal to the layer of the stack.\n IF ( LPLM .NE. LSTK ) THEN\n WSTK = MAX( WSPD( LPLM ), 1.0 )\n END IF\n IF ( DTHDZ( LPLM ) .GT. 0.001 ) THEN\nC Compute the stable momentum rise, for layer of the stack\n DHSM = 0.646 * ( STKVE * STKVE * STKDM * STKDM\n & / ( STKTK * WSTK ) ) ** D3 * SQRT( TSTK )\n & / DTHDZ( LPLM ) ** D6\n ELSE\n DHSM = DHM ! set it to DHM, if THGRAD too small\n END IF\n DHM = MIN( DHSM, DHM )\n \nC Compute the neutral and stable plume rises \n DHN = NEUTRL( STKHT, BFLX, WSTK, USTAR )\n DH = STABLE( BFLX, WSTK, SX )\n\n IF ( DHN .LT. DH ) THEN ! Take the minimum of neutral and stable\n DH = DHN\n IQ = 2\n ELSE \n IQ = 3\n END IF\n\n! IF ( DHM .GT. DH .AND. WSTK .GT. 1.0 ) THEN\n IF ( DH .LT. DHM ) THEN ! Take the minimum of the above and momentum rise\n DH = DHM\n IQ = 4\n END IF\n DHT = 1.5 * DH\n\n ELSE ! unstable case:\n DHN = NEUTRL( STKHT, BFLX, WSTK, USTAR )\n DH = UNSTBL( BFLX, WSTK )\n\n IF ( DHN .LT. DH ) THEN ! Take the minimum of neutral and unstable\n DH = DHN\n IQ = 2\n ELSE\n IQ = 1\n END IF\n\n! IF ( DHM .GT. DH .AND. WSTK .GT. 1.0 ) THEN\n IF ( DH .LT. DHM ) THEN ! Take the minimum of the above and momentum rise\n DH = DHM\n IQ = 4\n END IF\n DHT = 1.5 * DH\n \n END IF\n\n ELSE IF ( HSTAR .LT. -HCRIT .OR. DTHDZ( LSTK ) .GT. 0.001 ) THEN ! stable case:\n\n SX = MAX( GRAV * DTHDZ( LSTK ) / TSTK, SMALL )\n DHN = 1.5 * NEUTRL( STKHT, BFLX, WSTK, USTAR )\n DHT = 1.5 * STABLE( BFLX, WSTK, SX )\n IF ( DHN .LT. DHT ) THEN ! Take the minimum of neutral and stable\n DHT = DHN\n IQ = 2\n ELSE\n IQ = 3\n END IF\n\n ELSE ! neutral case:\n\n DHT = 1.5 * NEUTRL( STKHT, BFLX, WSTK, USTAR )\n IQ = 2\n\n END IF ! hstar ==> unstable, stable, or neutral\n \n ZPLM = DHT\n\nC End calculations if the momentum rise was used in the calculation\n IF ( IQ .EQ. 4 ) GO TO 199 ! to point past iterative buoyancy loop\n\nC Compute further plume rise from between level surfaces:\n NN = 0\n RBFLX = BFLX\n\n DO ! infinite loop computing further plume rise\n \n RX = ZPLM - ZSTK( LPLM )\n IF ( RX .LE. 0.0 ) THEN\n EXIT ! exit plume rise loop\n END IF\n\n IF ( LPLM .EQ. EMLAYS ) THEN ! we're finished\n ZPLM = MIN( ZPLM, ZSTK( EMLAYS ) )\n WRITE( LOGDEV,'(5X, A, I3, F10.3)' )\n & 'Plume rise reached EMLAYS with ZPLM:', EMLAYS, ZPLM\n EXIT ! exit plume rise loop\n END IF\n\nC Reset met data. NOTE - the original RADM code interpolated WSPD and TA,\nC but then set the height of interpolation identical to ZH( LPLM ).\n NN = NN + 1\n IF ( NN .GT. 1 ) THEN\n WPLM = WSPD( LPLM )\n TPLM = TA ( LPLM )\n ELSE ! 1st time, use stack values ...\n WPLM = WSTK\n TPLM = TSTK\n END IF\n \nC Compute residual bflx by stability case IQ:\n\n IF ( IQ .EQ. 1 ) THEN\n RX = D45 * RX ! Includes the 1.5 factor for plume top\n RBFLX = WPLM * ( RX ** FIVETHD )\n ELSE IF ( IQ .EQ. 2 ) THEN\n PX = STKHT + TWOTHD * ZPLM \n RBFLX = D2664 * ( RX ** FIVETHD ) * WPLM * ( USTAR * USTAR ) / PX ** TWOTHD\n ELSE ! else iq = 3:\n RBFLX = D59319 * WPLM * SX * RX ** 3\n END IF ! if stability flag iq is 1, 2, or 3\n\nC Increment the layer number below\n IF ( LPLM .LT. EMLAYS ) LPLM = LPLM + 1\n WPLM = WSPD( LPLM )\n TPLM = TA( LPLM )\n\nC Prevent divide-by-zero by WPLM\n WPLM = MAX( WPLM, 1.0 )\n\nC Process according to stability cases:\n SX = GRAV * DTHDZ( LPLM ) / TPLM\n IF ( SX .GT. SMALL ) THEN ! stable case:\n DHN = 1.5 * NEUTRL( STKHT, RBFLX, WPLM, USTAR )\n DHT = 1.5 * STABLE( RBFLX, WPLM, SX )\n IF ( DHN .LT. DHT ) THEN ! Take the minimum of neutral and stable\n DHT = DHN\n IQ = 2\n ELSE\n IQ = 3\n END IF\n DH = DHT / 1.5\n\n ELSE ! if upper layer is not stable, use neutral formula\n\n DHN = NEUTRL( STKHT, RBFLX, WPLM, USTAR )\n DH = UNSTBL( RBFLX, WPLM )\n IF ( DHN .LT. DH ) THEN ! Take the minimum of neutral and unstable\n DH = DHN\n IQ = 2\n ELSE\n IQ = 1\n END IF\n DHT = 1.5 * DH\n\n END IF\n \n ZPLM = ZSTK( LPLM-1 ) + DHT\n! DH = ZSTK( LPLM-1 ) + DH \n \n END DO ! end loop computing further plume rise\n\n199 CONTINUE\n\nC Adjustment for layer 1 combustion pt. source stacks with plume rise limited\nC to layer 1; put plume height in middle of layer 2:\n IF ( STKHT + TWOTHD * ZPLM .LE. ZF( 1 ) .AND. STKTK .GT. TA( 1 ) ) THEN\n ZPLM = ZH( 2 )\n END IF\n\nC set final plume centerline height (ZPLM):\n ZPLM = STKHT + TWOTHD * ZPLM \n\n RETURN\n\n END SUBROUTINE PLMRIS\n" }, { "path": "CCTM/src/plrise/smoke/plsprd.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/CCTM/src/plrise/smoke/plsprd.f,v 1.2 2011/10/21 16:11:31 yoj Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n! SUBROUTINE PLSPRD( DTHDZ, ZF, KZ, CEFSTK, HTMIX, PLTOP, PLBOT )\n SUBROUTINE PLSPRD( DTHDZ, ZF, KZ, CEFSTK, PLTOP, PLBOT )\n \nC-----------------------------------------------------------------------\nC Description: \nC Calculates the initial vertical spread of a plume; modified\nC from Gillani's model.\n \nC Preconditions:\n \nC Subroutines and Functions Called:\n \nC Revision History:\nC Initially provided by J. Godowitch ( EPA, 9/03 )\nC Aug 2015, D. Wong: Used assumed shape array declaration\n \nC-----------------------------------------------------------------------\nC Modified from:\n\nC Project Title: Sparse Matrix Operator Kernel Emissions (SMOKE) Modeling\nC System\nC File: @(#)$Id: plsprd.f,v 1.2 2011/10/21 16:11:31 yoj Exp $\nC COPYRIGHT (C) 2003, MCNC Environmental Modeling Center\nC All Rights Reserved\nC See file COPYRIGHT for conditions of use.\nC Environmental Modeling Center\nC MCNC\nC P.O. Box 12889\nC Research Triangle Park, NC 27709-2889\nC smoke@emc.mcnc.org\nC Pathname: $Source: /project/yoj/arc/CCTM/src/plrise/smoke/plsprd.f,v $\nC Last updated: $Date: 2011/10/21 16:11:31 $ \nC-----------------------------------------------------------------------\n\n IMPLICIT NONE\n \nC Arguments:\n\n REAL, INTENT ( IN ) :: DTHDZ( : ) ! potential temperature lapse rate (K/m)\n REAL, INTENT ( IN ) :: ZF( 0: ) ! full-layer heights (m)\n INTEGER, INTENT ( IN ) :: KZ ! number of emissions layers\n REAL, INTENT ( IN ) :: CEFSTK ! effective stack height (m)\n! REAL, INTENT ( IN ) :: HTMIX ! mixing height (m)\n REAL, INTENT( OUT ) :: PLTOP ! plume top (m)\n REAL, INTENT( OUT ) :: PLBOT ! plume bottom (m)\n \nC Parameters:\n REAL, PARAMETER :: SZ0FAC = 3.545 ! factor used to derive plume depth\n REAL, PARAMETER :: SPRFAC = 15. ! empirical coefficient for vertical spread\n REAL, PARAMETER :: GAMMA = -0.0098 ! adiabatic lapse rate (K/m)\n \nC Local Variables:\n INTEGER K\n \n REAL SIGZ0\n REAL DTDZ\n REAL DPTH\n \nC-----------------------------------------------------------------------\n\nC Get ambient temperature above plume rise height (effective stack height)\n K = 0\n DO \n K = K + 1\n IF ( K .EQ. KZ .OR. CEFSTK .LE. ZF( K ) ) EXIT\n END DO\n DTDZ = DTHDZ( K ) + GAMMA\n \nC Compute initial vertical spread\n SIGZ0 = MAX( 10.0, SPRFAC * EXP( -117.0 * DTDZ ) )\n DPTH = SZ0FAC * SIGZ0\n \nC Compute plume top and bottom heights; plume is either completely\nC within or outside mixing layer\n PLTOP = CEFSTK + DPTH / 2.0\n PLBOT = CEFSTK - DPTH / 2.0\n \nC Make sure plume bottom is at least zero\n PLBOT = MAX( 0.0, PLBOT )\n \nC Make sure that plume top and bottom height < ZF (KZ) . \n PLTOP = MIN( ZF( KZ ), PLTOP )\n PLBOT = MIN( ZF( KZ )-1.0, PLBOT )\n\n RETURN\n \n END SUBROUTINE PLSPRD\n" }, { "path": "CCTM/src/plrise/smoke/preplm.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/CCTM/src/plrise/smoke/preplm.f,v 1.3 2011/10/21 16:11:31 yoj Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE PREPLM( FIREFLG, EMLAYS, HMIX, HTS, PSFC, TS, DDZF, QV,\n & TA, UW, VW, ZH, ZF, PRES, LSTK, LPBL, TSTK, \n & WSTK, DTHDZ, WSPD )\n\nC-----------------------------------------------------------------------\nC Description:\nC Computes the values needed for the PLMRIS subroutine from the \nC meteorology data.\n \nC Preconditions:\nC Interpolated (to the location of a source) meteorology data as input,\nC vertical grid structure.\n \nC Subroutines and Functions Called:\nC I/O API \n \nC Revision History:\nC Copied from preplm.f v 1.2 in DAQM-V2 Emissions Preprocessor by\nC M. Houyoux 3/99\nC 16 Feb 2011 S.Roselle: replaced I/O API include files with UTILIO_DEFN\nC Aug 2015, D. Wong: - Used assumed shape array declaration and adjusted\nC array accessing index accordingly\nC - Replaced run time dynamical array with allocatable \nC - Fixed temp. and windsp. polynomial interpolation to\nC stack top\nC 12 Oct 2015 J.Young: fix how PRES is used: defined at layer top surface\n \nC-----------------------------------------------------------------------\nC Modified from:\n \nC Project Title: Sparse Matrix Operator Kernel Emissions (SMOKE) Modeling System\nC File: @(#)$Id: preplm.f,v 1.3 2011/10/21 16:11:31 yoj Exp $\nC COPYRIGHT (C) 2002, MCNC Environmental Modeling Center\nC All Rights Reserved\nC See file COPYRIGHT for conditions of use.\nC Environmental Modeling Center\nC MCNC\nC P.O. Box 12889\nC Research Triangle Park, NC 27709-2889\nC smoke@emc.mcnc.org\nC Pathname: $Source: /project/yoj/arc/CCTM/src/plrise/smoke/preplm.f,v $\nC Last updated: $Date: 2011/10/21 16:11:31 $ \nC-----------------------------------------------------------------------\n \n USE UTILIO_DEFN\n\n IMPLICIT NONE\n \nC Includes:\n\nC External Functions:\n\nC Parameters:\n INTEGER, PARAMETER :: DEG = 3 ! degree of interpolationg polynomial\n REAL, PARAMETER :: CTOK = 273.15 ! conversion from deg. C to deg. K\n\nC Arguments:\nC (Note: All met parms are per-source)\n LOGICAL, INTENT( IN ) :: FIREFLG ! .true. => processing fire source\n INTEGER, INTENT( IN ) :: EMLAYS ! no. emissions layers\n REAL, INTENT( IN ) :: HMIX ! mixing height\n REAL, INTENT( IN ) :: HTS ! stack height\n REAL, INTENT( IN ) :: PSFC ! surface pressure\n REAL, INTENT( IN ) :: TS ! surface temperature\n REAL, INTENT( IN ) :: DDZF( : ) ! 1/( zf(l) - zf(l-1) )\n REAL, INTENT( IN ) :: QV ( : ) ! mixing ratio\n REAL, INTENT( IN ) :: TA ( : ) ! absolute temperature\n REAL, INTENT( IN ) :: UW ( : ) ! x-direction winds\n REAL, INTENT( IN ) :: VW ( : ) ! y-direction winds\n REAL, INTENT( IN ) :: ZH ( : ) ! layer center height [m]\n REAL, INTENT( IN ) :: ZF ( : ) ! layer surface height [m]\n REAL, INTENT( IN ) :: PRES( 0: ) ! pres at full layer hts (mod by YOJ)\n INTEGER, INTENT( OUT ) :: LSTK ! first L: ZF(L) > STKHT\n INTEGER, INTENT( OUT ) :: LPBL ! first L: ZF(L) > mixing layer\n REAL, INTENT( OUT ) :: TSTK ! temperature @ top of stack [K]\n REAL, INTENT( OUT ) :: WSTK ! wind speed @ top of stack [m/s]\n REAL, INTENT( OUT ) :: DTHDZ( : ) ! potential temp. grad. \n REAL, INTENT( OUT ) :: WSPD ( : ) ! wind speed [m/s]\n\nC Local Variables:\n INTEGER L, M\n REAL ES\n REAL QSFC\n REAL TVSFC\n REAL THETG\n REAL THV1\n REAL THVK\n! REAL TV( EMLAYS ) ! Virtual temperature\n! REAL TF( EMLAYS ) ! Full-layer height temperatures\n REAL, ALLOCATABLE :: TV( : ) ! Virtual temperature\n REAL, ALLOCATABLE :: TF( : ) ! Full-layer height temperatures\n REAL P, Q\n REAL DZZ\n REAL DELZ\n\n CHARACTER( 240 ) :: XMSG = ' '\n INTEGER :: STAT\n\nC-----------------------------------------------------------------------\n\n ALLOCATE ( TV( EMLAYS ), TF( EMLAYS ), STAT=STAT )\n IF ( STAT .NE. 0 ) THEN\n WRITE( XMSG, *) ' Cannot allocate TV and TF in PREPLM'\n CALL M3MSG2( XMSG )\n STOP\n END IF\n\nC Convert pressure to millibars from pascals, compute wind speed,\nC and virtual temperature\n\n DO L = 1, EMLAYS\n P = UW( L )\n Q = VW( L )\n WSPD( L ) = SQRT( P * P + Q * Q )\n TV( L ) = TA( L ) * ( 1.0 + 0.622 * ( QV( L ) / ( 1.0 + QV( L ) ) ) )\n END DO\n\n ES = 6.1078 * EXP( 5384.21 / CTOK - 5384.21 / TS )\n QSFC = 0.622 * ES / ( PSFC - ES )\n TVSFC = TS * ( 1.0 + 0.6077 * QSFC )\n THETG = TVSFC * ( 1000.0 / PSFC ) ** 0.286\n IF ( HMIX .LE. ZF( 1 ) ) LPBL = 1\n IF ( HTS .LE. ZF( 1 ) ) LSTK = 1\n\nC Interpolate the virtual temperatures at the full-layer face heights (at ZFs)\n DO L = 1, EMLAYS - 1\n DELZ = ZH( L+1 ) - ZH( L )\n TF( L ) = TV( L ) + ( TV( L+1 ) - TV( L ) ) * ( ZF( L ) - ZH( L ) ) / DELZ\n END DO\n L = EMLAYS\n DELZ = ZH( L ) - ZH( L-1 )\n TF( L ) = TV( L ) + ( TV( L ) - TV( L-1 ) ) * ( ZF( L ) - ZH( L ) ) / DELZ\n\n! THV1 = TF( 1 ) * ( 1000.0 / PRES( 2 ) ) ** 0.286\n THV1 = TF( 1 ) * ( 1000.0 / PRES( 1 ) ) ** 0.286\n\n! DTHDZ( 1 ) = ( THV1 - THETG ) / ZF( 1 )\n\n DO L = 2, EMLAYS\n \n IF ( HMIX .GT. ZF( L-1 ) ) LPBL = L\n IF ( HTS .GT. ZF( L-1 ) ) LSTK = L\n \n! THVK = TF( L ) * ( 1000.0 / PRES( L+1 ) ) ** 0.286\n THVK = TF( L ) * ( 1000.0 / PRES( L ) ) ** 0.286\n DTHDZ( L ) = DDZF( L ) * ( THVK - THV1 )\n THV1 = THVK\n \n END DO\n\nC Set the 1st level vertical THETV gradient to the 2nd layer value -\nC overrides the layer 1 gradient determined above\n DTHDZ( 1 ) = DTHDZ( 2 )\n\n IF ( .NOT. FIREFLG ) THEN\nC Interpolate ambient temp. and windspeed to top of stack using DEG deg. polynomial\n M = MAX( 1, LSTK - DEG - 1 )\n TSTK = POLY( HTS, ZH( M:EMLAYS ), TA( M:EMLAYS ), DEG )\n WSTK = MAX( POLY( HTS, ZH( M:EMLAYS ), WSPD( M:EMLAYS ), DEG ), 0.1 )\n ELSE\n TSTK = TS\n WSTK = WSPD( 1 )\n END IF\n\n DEALLOCATE ( TV, TF )\n\n END SUBROUTINE PREPLM\n" }, { "path": "CCTM/src/plrise/smoke/write3_distr.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n FUNCTION WRITE3_DISTR ( FNAME, VNAME, JDATE, JTIME, DIM1, DIM2, DATA )\n & RESULT ( SUCCESS )\n\nC-----------------------------------------------------------------------\nC Function: Use I/O-API's WRITE3 and avoid using PWRITE3 to write layer\nC fractions to processor unique fake-gridded files\n\nC Note: This function must live in a file that has a \".f\" extension!\n\nC Revision History:\nC 5 Dec 2007 J.Young: initial implementation\nC 16 Feb 2011 S.Roselle: replaced I/O API include files with M3UTILIO\nC-----------------------------------------------------------------------\n\n USE RUNTIME_VARS\n#ifndef mpas\n USE M3UTILIO\n#endif\n\n IMPLICIT NONE\n\n CHARACTER( * ), INTENT( IN ) :: FNAME\n CHARACTER( * ), INTENT( IN ) :: VNAME\n INTEGER, INTENT( IN ) :: JDATE, JTIME\n INTEGER, INTENT( IN ) :: DIM1, DIM2\n REAL, INTENT( IN ) :: DATA( DIM1,DIM2 )\n LOGICAL SUCCESS\n\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n CHARACTER( 96 ) :: XMSG = ' '\n\nC-----------------------------------------------------------------------\n\n SUCCESS = .TRUE.\n\n#ifndef mpas\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n END If\n\n IF ( .NOT. WRITE3( FNAME, VNAME, JDATE, JTIME, DATA ) ) THEN\n XMSG = 'Error writing ' // 'to file \"' // TRIM( FNAME ) // '.\"'\n WRITE( LOGDEV,* ) XMSG\n SUCCESS = .FALSE.\n END IF\n#endif\n\n RETURN\n END FUNCTION WRITE3_DISTR\n" }, { "path": "CCTM/src/procan/pa/PA_DEFN.F", "content": "C=======================================================================\n MODULE PA_DEFN\n \nC Contains: Control parameters for Process Analysis\nC\nC Dependent On: Mechanism Input file\nC\nC Created By: Process Analysis Control Program\nC 11:05:01 EDT July 15, 2016\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc The following variables are used to control calls to the Integrated\nc Process Rate and Integrated Reaction Rate routines:\nc LIPR = Flag for calculating Integrated Process Rates\nc LIRR = Flag for calculating Integrated Reaction Rates\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\nc these are set in pa_read.F\n LOGICAL :: LIPR = .FALSE.\n LOGICAL :: LIRR = .FALSE.\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc The following variables are used in the output file descriptions\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc NIPRVAR = Number of IPR output variables\nc NIRRVAR = Number of IRR output variables\nc IPRNAME = Name of IPR output variable\nc IRRNAME = Name of IRR output variable\nc IPRDESC = Extended name of IPR output variable\nc IRRDESC = Extended name of IRR output variable\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\nc these are set in pa_setup_ipr.F, pa_read.F, respectively\nc change to pa_read\n INTEGER :: NIPRVAR = 0\n INTEGER :: NIRRVAR = 0\n\nc these are set in pa_setup_ipr.F, pa_getirrout.F (pa_setup_irr.F)\nc allocate in pa_read\n CHARACTER( 16 ), ALLOCATABLE, SAVE :: IPRNAME( : ) ! IPRNAME( NIPRVAR )\n CHARACTER( 60 ), ALLOCATABLE, SAVE :: IPRDESC( : ) ! IPRDESC( NIPRVAR )\n CHARACTER( 16 ), ALLOCATABLE, SAVE :: IRRNAME( : ) ! IRRNAME( NIRRVAR )\n CHARACTER( 60 ), ALLOCATABLE, SAVE :: IRRDESC( : ) ! IRRDESC( NIRRVAR )\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc The following variables are used in the integrated process rate \nc computations.\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc NPRCS = No. of science processes that can be monitored\nc PROCNAME =\nc N_IPR_SPC = Number of families for IPR\nc NCSAVE = Number of CTM species concs to save for IPR\nc MXCGRID = Max number of CTM species in an IPR family\nc LPROCOUT =\nc NCGRID = Array of no. of CTM species in an IPR family\nc IPROUT = Array of IPR output variable indices\nc IPR2GRD = Array of CTM species indices for IPR families\nc IPR2SAV = Array of saved species indices for IPR families\nc SV2GRD = Array of CTM indicies for saved concs\nc SPCOEF = Array of coefficients for IPR familys\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n INTEGER, PARAMETER :: NPRCS = 14\n \n INTEGER, PARAMETER :: IPR_XADV = 1\n INTEGER, PARAMETER :: IPR_YADV = 2\n INTEGER, PARAMETER :: IPR_ZADV = 3\n INTEGER, PARAMETER :: IPR_HDIF = 4\n INTEGER, PARAMETER :: IPR_VDIF = 5\n INTEGER, PARAMETER :: IPR_EMIS = 6\n INTEGER, PARAMETER :: IPR_DDEP = 7\n INTEGER, PARAMETER :: IPR_PVO3 = 8\n INTEGER, PARAMETER :: IPR_CLDS = 9\n INTEGER, PARAMETER :: IPR_CHEM = 10\n INTEGER, PARAMETER :: IPR_COND = 11\n INTEGER, PARAMETER :: IPR_COAG = 12\n INTEGER, PARAMETER :: IPR_NPF = 13\n INTEGER, PARAMETER :: IPR_GROW = 14\n \n CHARACTER(4), PARAMETER :: PROCNAME( NPRCS ) =\n & (/'XADV','YADV','ZADV','HDIF','VDIF','EMIS','DDEP',\n & 'PVO3','CLDS','CHEM','COND','COAG','NPF ','GROW' /)\n\n REAL, ALLOCATABLE, SAVE :: CSAV( :,:,:,: )\n\n LOGICAL, SAVE :: COUPLE_WRF = .FALSE.\n\nc this is set in pa_getiprout.F, pa_errcheck.F?\n INTEGER :: N_IPR_SPC = 0\nc these are set in pa_setup_ipr.F\n INTEGER :: MXCGRID = 0\n\nc these are allocated in pa_setpadefn.F\n INTEGER, ALLOCATABLE, SAVE :: MAP_IPRVARtoSPC( : ) ! ( NIPRVAR )\n INTEGER, ALLOCATABLE, SAVE :: NCGRID ( : ) ! ( N_IPR_SPC )\n INTEGER, ALLOCATABLE, SAVE :: MAP_SAVEtoCGRID( : ) ! ( NCSAVE )\n INTEGER, ALLOCATABLE, SAVE :: MAP_IPRtoCGRID( :,: ) ! ( N_IPR_SPC,MXCGRID )\n INTEGER, ALLOCATABLE, SAVE :: MAP_IPRtoSAVE( :,: ) ! ( N_IPR_SPC,MXCGRID )\n REAL, ALLOCATABLE, SAVE :: SPCOEF ( :,: ) ! ( N_IPR_SPC,MXCGRID )\n LOGICAL, ALLOCATABLE, SAVE :: MASK_IPR_PROC( :,: )\n\n LOGICAL, SAVE :: BUDGET_DIAG = .FALSE.\n LOGICAL, SAVE :: BUDGET_HPPM = .FALSE.\n CHARACTER( 16 ), ALLOCATABLE, SAVE :: BUDGETVARIABLES( : )\n INTEGER, PARAMETER :: MAX_BUDGET_VARS_NML = 200\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc The following variables are used in the integrated reaction rate\nc computations.\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc LFULLIRR = Flag for computing IRRs for every reaction\nc LPARTIRR = Flag for computing IRRs for selected reactions\nc NUMOUTPOS = No. of temp. IRR terms to add iff the IRR > 0\nc NUMOUTNEG = No. of temp. IRR terms to add iff the IRR < 0\nc NUMOUTIND = No. of temp. IRR terms to add regardless of sign\nc MXNIRRRXNS = Max no. of reaction terms in an output IRR\nc MXTEMPTRMS = Max no. of reaction terms in a temp. IRR\nc NIRRRXNS = Vector of no. of reaction terms in an output IRR\nc TEMPTERMS = Vector of no. of terms in a temporary IRR\nc TEMPOUTPOS = Vector of no. of IRR terms to add if IRR > 0\nc TEMPOUTNEG = Vector of no. of IRR terms to add if IRR < 0\nc TEMPOUTIND = Vector of no. of IRR terms to add regardless of sign\nc INDXOUTPOS = Vector of indices pointing to IRR output variable\nc INDXOUTNEG = Vector of indices pointing to IRR output variable\nc INDXOUTIND = Vector of indices pointing to IRR output variable\nc COEFOUTPOS = Vector of temp IRR coefficients\nc COEFOUTNEG = Vector of temp IRR coefficients\nc COEFOUTIND = Vector of temp IRR coefficients\nc NUMTEMPS = No. of temporary intermediate IRRs to compute\nc TEMPRXN = Array of reaction nos. for a temp. IRR\nc IRRRXN = Array of reaction nos. for an output IRR\nc TEMPCOEF = Array of reaction coefficients for a temp IRR\nc IRRCOEF = Array of reaction coefficients for an output IRR\nc IRRSTEP = Array of output IRRs for one time step\nc IRRBLK = Array of output IRRs for a block of cells\nc IRROUT = Array of IRRs to output\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\nc these are set in pa_read.F\n LOGICAL, SAVE :: LFULLIRR = .FALSE.\n LOGICAL, SAVE :: LPARTIRR = .FALSE.\n\nc these are set in pa_setup_irr.F, pa_errcheck.F\n INTEGER, SAVE :: NUMOUTPOS = 0\n INTEGER, SAVE :: NUMOUTNEG = 0\n INTEGER, SAVE :: NUMOUTIND = 0\n INTEGER, SAVE :: MXNIRRRXNS = 0\n INTEGER, SAVE :: NUMTEMPS = 0\n INTEGER, SAVE :: MXTEMPTRMS = 0\n\nc this is set in the Model`s GRID_CONF\n INTEGER, SAVE :: BLKSIZED = 50\n\nc these are allocated in pa_setup_irr.F\n INTEGER, ALLOCATABLE, SAVE :: NIRRRXNS ( : ) ! ( NIRRVAR )\n INTEGER, ALLOCATABLE, SAVE :: IRRRXN ( :,: ) ! ( NIRRVAR,MXNIRRRXNS )\n INTEGER, ALLOCATABLE, SAVE :: TEMPOUTPOS( : ) ! ( NUMOUTPOS )\n INTEGER, ALLOCATABLE, SAVE :: INDXOUTPOS( : ) ! ( NUMOUTPOS )\n INTEGER, ALLOCATABLE, SAVE :: TEMPOUTNEG( : ) ! ( NUMOUTNEG )\n INTEGER, ALLOCATABLE, SAVE :: INDXOUTNEG( : ) ! ( NUMOUTNEG )\n INTEGER, ALLOCATABLE, SAVE :: TEMPOUTIND( : ) ! ( NUMOUTIND )\n INTEGER, ALLOCATABLE, SAVE :: INDXOUTIND( : ) ! ( NUMOUTIND )\n INTEGER, ALLOCATABLE, SAVE :: TEMPTERMS ( : ) ! ( NUMTEMPS )\n INTEGER, ALLOCATABLE, SAVE :: TEMPRXN ( :,: ) ! ( NUMTEMPS,MXTEMPTRMS )\n\n REAL, ALLOCATABLE, SAVE :: COEFOUTPOS( : ) ! ( NUMOUTPOS )\n REAL, ALLOCATABLE, SAVE :: COEFOUTNEG( : ) ! ( NUMOUTNEG )\n REAL, ALLOCATABLE, SAVE :: COEFOUTIND( : ) ! ( NUMOUTIND )\n REAL, ALLOCATABLE, SAVE :: TEMPCOEF ( :,: ) ! ( NUMTEMPS,MXTEMPTRMS )\n REAL, ALLOCATABLE, SAVE :: IRRCOEF ( :,: ) ! ( NIRRVAR,MXNIRRRXNS )\n REAL, ALLOCATABLE, SAVE :: IRRSTEP ( :,: ) ! ( BLKSIZED,NIRRVAR )\n REAL, ALLOCATABLE, SAVE :: IRRBLK ( :,: ) ! ( BLKSIZED,NIRRVAR )\n REAL, ALLOCATABLE, SAVE :: IRRDEL ( : ) ! ( NIRRVAR )\n REAL, ALLOCATABLE, SAVE :: IRRSUM ( : ) ! ( NIRRVAR )\n\n END MODULE PA_DEFN\n" }, { "path": "CCTM/src/procan/pa/PA_GLOBAL.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC......................................................................\n MODULE PA_GLOBAL\n \nC Contains: Mech and Grid data used in the Process Analysis Control Program\n \nC Dependent Upon: Nothing\nC Revision History\nC Prototype created by Bill Hutzell, June, 2014 based in PA_GLOBAL.EXT\nC from PROCAN version 5.0.2\nC PA_GLOBAL.EXT History:\nC Created by Jerry Gipson, May, 1997\nC Modified Sept, 1997 by Jerry Gipson to be consistent with targeted CTM\nC Modified May 2002 by Jerry Gipson to increase number of products (for saprc99)\nC Aug 2011 Jeff Young: Removed domain data\n \nC......................................................................\n\n USE RXNS_DATA, Only: ! chemical mechanism arrays and data \n & NRXNS, MXPRD, NUMB_MECH_SPC,\n & RXLABEL, IRR, CHEMISTRY_SPC, NREACT, IRXBITS, SC, NPRDCT\n\n IMPLICIT NONE\n\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Dimensioning parameters for species and mechanism data\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n INTEGER, PARAMETER :: MXSPEC = 1000 ! Number of species in mechanism\n \n INTEGER, PARAMETER :: MXALLSPC = 4 * MXSPEC + 1\n\n INTEGER, PARAMETER :: MXRXNS = NRXNS ! Maximum number of Reactions in mechanism\n \n INTEGER, PARAMETER :: MXRPP = MXPRD + 3 ! Maximum number of Products and reactants\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Declarations for species and mechanism data\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n END MODULE PA_GLOBAL\n \n" }, { "path": "CCTM/src/procan/pa/PA_IPRVARS.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC......................................................................\n MODULE PA_IPRVARS\n\nC Contains: data used in the Process Analysis Control Program\n\nC Dependent Upon: None\n\nC Revision History:\nC......................................................................\n\n USE PA_GLOBAL, Only: MXSPEC\n USE PA_VARS, Only: MAXTERMS\n\n INTEGER, PARAMETER :: MAXIPRSPC = 600 ! Max no. of IPR species\n\n INTEGER, PARAMETER :: MAXIPROUT = MAXIPRSPC * 10 ! Max no. IPR outputs\n\n\n CHARACTER( 4 ) :: IPR_SPTYPE( MAXIPRSPC ) ! Type of mass balance species\n CHARACTER( 16 ) :: IPR_SPNAM ( MAXIPRSPC ) ! Name of mass balance species\n CHARACTER( 16 ) :: IPR_OPNAME( MAXIPRSPC,MAXTERMS ) ! Input IPR op names\n\n INTEGER :: N_IPR_OPS ( MAXIPRSPC ) ! No. of input IPR operation names\n INTEGER :: IPR_SPNUM ( MAXIPRSPC ) ! Species or family-name number\n\n END MODULE PA_IPRVARS\n" }, { "path": "CCTM/src/procan/pa/PA_IRR_CTL.F", "content": "!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n MODULE PA_IRR_CLT\n \n IMPLICIT NONE\nC-----------------------------------------------------------------------\nC Function: Set up for and update the integrated reaction rates \nC computed by the subroutine pa_irr\n \nC Preconditions: None\n \nC Key Subroutines/Functions Called: None\n \nC Revision History\nC Prototype created by Jerry Gipson, November, 1996\nC Modified Sept, 1997 by Jerry Gipson to be consistent with targeted CTM\nC Modified 1/19/99 by David Wong at LM:\nC -- add four include files because of new PA_CMN.EXT\nC Modified 2/26/99 by David Wong at LM:\nC -- remove SUBST_AE_SPC, SUBST_NR_SPC, SUBST_TR_SPC, \nC three .EXT files\nC -- use ifdef parallel to distinguish the need of\nC shifting to origin to perform calculation in serial \nC but not in parallel\nC -- change BEG* and END* to corresponding \nC MY_IRR_BEG*, and MY_IRR_END*, respectively\nC 30 Mar 01 J.Young: Use PAGRD_DEFN, which uses HGRD_DEFN; eliminate\nC BLKPRM.EXT; Use GRVARS\nC 31 Jan 05 J.Young: dyn alloc - establish both horizontal & vertical\nC domain specifications in one module (GRID_CONF)\nC 21 Jun 10 J.Young: convert for Namelist redesign\nC 16 Sep 16 J.Young: update for inline procan (IRR)\nC 1 Feb 19 David Wong: removed all MY_N clauses\nC 17 Jan 24 David Wong: fixed a bug that IRR/IPR process alllows a subset of\nC level, a..b, where 1 <= a <= b <= NLAYS\nC-----------------------------------------------------------------------\n\n CONTAINS\n \n SUBROUTINE PA_IRR_SETUP( NBLKS, LIRRBLK, LCELL, BLKLEN,\n & CCOL, CROW, CLEV )\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Flags all blocks that will need IRR/MB calculations\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE CGRID_SPCS ! CGRID mechanism species\n USE PA_DEFN ! Process Anaylsis control and data variables\n USE PAGRD_DEFN ! PA horiz domain specs\n\n IMPLICIT NONE \nC..Includes: None\n\nC..Arguments: \n INTEGER, INTENT( IN ) :: NBLKS ! Number of blocks in modeling domain\n LOGICAL, INTENT( OUT ) :: LIRRBLK( : ) ! Flag for doing IRR\n INTEGER, INTENT( IN ) :: BLKLEN ( : ) ! Number of cells in each\n INTEGER, INTENT( IN ) :: LCELL ( : ) ! Offset to 1st cell in each\n INTEGER, INTENT( IN ) :: CCOL ( : ) ! Column pointer for cell\n INTEGER, INTENT( IN ) :: CROW ( : ) ! Row pointer for cell\n INTEGER, INTENT( IN ) :: CLEV ( : ) ! Level pointer for cell\nC..Parameters: None\n\nC..External Functions: None\n \n!?..Saved Local Variables:\n!?????LOGICAL, SAVE :: LIRRCELL( BLKSIZE ) ! Flag to do IRR for a cell\n\nC..Scratch Local Variables:\n INTEGER BLK ! Loop index for blocks\n INTEGER CELL ! Counter of cells in a block\n INTEGER COL, ROW, LEV ! Column, row, and level indices\n INTEGER ECL ! Ending cell no. of block\n INTEGER ICL ! Loop index for cells in a block\n INTEGER NCELL ! Loop index for cells in a block\n INTEGER PC, PR, PL ! Column, row, and level indices for PA outputs\n INTEGER NIRR ! Loop index for IRR variables\n INTEGER SCL ! Starting cell no. of block\nC-----------------------------------------------------------------------\n\n DO BLK = 1, NBLKS\n SCL = LCELL( BLK ) + 1\n ECL = LCELL( BLK ) + BLKLEN( BLK )\n DO ICL = SCL, ECL\n COL = CCOL( ICL )\n ROW = CROW( ICL )\n LEV = CLEV( ICL )\n IF ( COL .GE. MY_IRR_BEGCOL .AND. COL .LE. MY_IRR_ENDCOL .AND.\n & ROW .GE. MY_IRR_BEGROW .AND. ROW .LE. MY_IRR_ENDROW .AND.\n & LEV .GE. MY_IRR_BEGLEV .AND. LEV .LE. MY_IRR_ENDLEV ) \n & LIRRBLK( BLK ) = .TRUE.\n END DO\n END DO \n RETURN\n END SUBROUTINE PA_IRR_SETUP\n SUBROUTINE PA_IRR_CKBLK ( NUMCELLS, LIRRFLAG, OFFSET, CCOL,\n & CROW, CLEV, NORDCELL, NIRRCLS, IRRCELL )\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Checks a block of cells to see if it has a cell that needs IRR\nc calculations for the case in which when the cell composition of the\nc block can change\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE CGRID_SPCS ! CGRID mechanism species\n USE PA_DEFN ! Process Anaylsis control and data variables\n USE PAGRD_DEFN ! PA horiz domain specs\n \n IMPLICIT NONE\nC..Arguments \n INTEGER, INTENT( IN ) :: NUMCELLS ! Number of cells in one block\n LOGICAL, INTENT( OUT ) :: LIRRFLAG ! Flag for doing IRR for one block\n INTEGER, INTENT( IN ) :: OFFSET ! Offset to 1st cell in a block\n INTEGER, INTENT( IN ) :: CCOL ( : ) ! Column pointer for cell\n INTEGER, INTENT( IN ) :: CROW ( : ) ! Row pointer for cell\n INTEGER, INTENT( IN ) :: CLEV ( : ) ! Level pointer for cell\n INTEGER, INTENT( IN ) :: NORDCELL( : ) ! Cell number of ordered cells in a block\n INTEGER, INTENT( INOUT ) :: NIRRCLS ! No. of cells in block for IRR cells\n INTEGER, INTENT( INOUT ) :: IRRCELL( : ) ! Cell No. of an IRR cell\n\nC..Includes: None\n\nC..Scratch Local Variables:\n INTEGER BLK ! Loop index for blocks\n INTEGER CELL ! Counter of cells in a block\n INTEGER COL, ROW, LEV ! Column, row, and level indices\n INTEGER ECL ! Ending cell no. of block\n INTEGER ICL ! Loop index for cells in a block\n INTEGER NCELL ! Loop index for cells in a block\n INTEGER PC, PR, PL ! Column, row, and level indices for PA outputs\n INTEGER NIRR ! Loop index for IRR variables\n INTEGER SCL ! Starting cell no. of block\nC-----------------------------------------------------------------------\n NIRRCLS = 0\n DO NCELL = 1, NUMCELLS\n ICL = NORDCELL( OFFSET + NCELL )\n COL = CCOL( ICL )\n ROW = CROW( ICL )\n LEV = CLEV( ICL )\n!?????????????LIRRCELL( NCELL ) = .FALSE.\n IF ( COL .GE. MY_IRR_BEGCOL .AND. COL .LE. MY_IRR_ENDCOL .AND.\n & ROW .GE. MY_IRR_BEGROW .AND. ROW .LE. MY_IRR_ENDROW .AND.\n & LEV .GE. MY_IRR_BEGLEV .AND. LEV .LE. MY_IRR_ENDLEV ) THEN\n LIRRFLAG = .TRUE.\n!????????????????LIRRCELL( NCELL ) = .TRUE.\n NIRRCLS = NIRRCLS + 1\n IRRCELL( NIRRCLS ) = NCELL\n END IF\n END DO\n RETURN \n END SUBROUTINE PA_IRR_CKBLK\n SUBROUTINE PA_IRR_CKCELLS ( LIRRFLAG )\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Checks cells to see which needs IRR calculations\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE CGRID_SPCS ! CGRID mechanism species\n USE PA_DEFN ! Process Anaylsis control and data variables\n USE PAGRD_DEFN ! PA horiz domain specs\n \n IMPLICIT NONE\nC..Arguments \n LOGICAL, INTENT( OUT ) :: LIRRFLAG( :,:,: ) ! Flag for doing IRR for one block\n\nC..Includes: None\n\nC..Scratch Local Variables:\n INTEGER C, R, L ! Column, row, and level indices for PA outputs\nC-----------------------------------------------------------------------\n \n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n IF ( C .GE. MY_IRR_BEGCOL .AND. C .LE. MY_IRR_ENDCOL .AND.\n & R .GE. MY_IRR_BEGROW .AND. R .LE. MY_IRR_ENDROW .AND.\n & L .GE. MY_IRR_BEGLEV .AND. L .LE. MY_IRR_ENDLEV ) THEN\n LIRRFLAG( C,R,L ) = .TRUE.\n ELSE\n LIRRFLAG( C,R,L ) = .FALSE. \n END IF\n END DO\n END DO\n END DO\n RETURN \n END SUBROUTINE PA_IRR_CKCELLS\n SUBROUTINE PA_IRR_BLKSTRT ( NUMCELLS )\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Initializes IRRBLK to zero\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE CGRID_SPCS ! CGRID mechanism species\n USE PA_DEFN ! Process Anaylsis control and data variables\n USE PAGRD_DEFN ! PA horiz domain specs\n \n IMPLICIT NONE\nC..Arguments \n INTEGER, INTENT( IN ) :: NUMCELLS ! Number of cells in one block\n\nC..Includes: None\n\nC..Scratch Local Variables:\n INTEGER CELL ! Counter of cells in a block\n INTEGER NIRR ! Loop index for IRR variables\nC-----------------------------------------------------------------------\n DO NIRR = 1, NIRRVAR\n DO CELL = 1, NUMCELLS\n IRRBLK( CELL,NIRR ) = 0.0\n END DO\n END DO\n RETURN\n END SUBROUTINE PA_IRR_BLKSTRT\n SUBROUTINE PA_IRR_BLKENDF( OFFSET, NUMCELLS, CCOL, CROW, CLEV )\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Updates the IRROUT array after a block is finished for the case\nc in which the cell composition of the block is fixed\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE CGRID_SPCS ! CGRID mechanism species\n USE PA_DEFN ! Process Anaylsis control and data variables\n USE PAGRD_DEFN ! PA horiz domain specs\n \n IMPLICIT NONE\nC..Arguments \n INTEGER, INTENT( IN ) :: OFFSET ! Offset to 1st cell in a block\n INTEGER, INTENT( IN ) :: NUMCELLS ! Number of cells in one block\n INTEGER, INTENT( IN ) :: CCOL ( : ) ! Column pointer for cell\n INTEGER, INTENT( IN ) :: CROW ( : ) ! Row pointer for cell\n INTEGER, INTENT( IN ) :: CLEV ( : ) ! Level pointer for cell\n\nC..Includes: None\n\nC..Scratch Local Variables:\n INTEGER BLK ! Loop index for blocks\n INTEGER CELL ! Counter of cells in a block\n INTEGER COL, ROW, LEV ! Column, row, and level indices\n INTEGER ECL ! Ending cell no. of block\n INTEGER ICL ! Loop index for cells in a block\n INTEGER NCELL ! Loop index for cells in a block\n INTEGER PC, PR, PL ! Column, row, and level indices for PA outputs\n INTEGER NIRR ! Loop index for IRR variables\n INTEGER SCL ! Starting cell no. of block\nC-----------------------------------------------------------------------\n SCL = OFFSET + 1\n ECL = OFFSET + NUMCELLS\n CELL = 0\n DO ICL = SCL, ECL\n COL = CCOL( ICL )\n ROW = CROW( ICL )\n LEV = CLEV( ICL )\n CELL = CELL + 1\n IF ( COL .GE. MY_IRR_BEGCOL .AND. COL .LE. MY_IRR_ENDCOL .AND.\n & ROW .GE. MY_IRR_BEGROW .AND. ROW .LE. MY_IRR_ENDROW .AND.\n & LEV .GE. MY_IRR_BEGLEV .AND. LEV .LE. MY_IRR_ENDLEV ) THEN\n\n#ifdef parallel\n PC = COL\n PR = ROW\n#else\nC -- serial case, calculations are shifted to the origin but not in\nC parallel implementation\n PC = COL - MY_IRR_BEGCOL + 1\n PR = ROW - MY_IRR_BEGROW + 1\n#endif\n PL = LEV - MY_IRR_BEGLEV + 1\n\n DO NIRR = 1, NIRRVAR\n IRROUT( PC,PR,PL,NIRR ) = IRROUT( PC,PR,PL,NIRR )\n & + IRRBLK( CELL,NIRR ) \n END DO\n END IF\n END DO\n\n RETURN\n END SUBROUTINE PA_IRR_BLKENDF\n SUBROUTINE PA_IRR_CELLENDF( COL, ROW, LEV )\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Updates the IRROUT for cell \nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE CGRID_SPCS ! CGRID mechanism species\n USE PA_DEFN ! Process Anaylsis control and data variables\n USE PAGRD_DEFN ! PA horiz domain specs\n \n IMPLICIT NONE\nC..Arguments \n INTEGER, INTENT( IN ) :: COL ! Column pointer for cell\n INTEGER, INTENT( IN ) :: ROW ! Row pointer for cell\n INTEGER, INTENT( IN ) :: LEV ! Level pointer for cell\n\nC..Includes: None\n\nC..Scratch Local Variables:\n INTEGER PC, PR, PL ! Column, row, and level indices for PA outputs\n INTEGER NIRR ! Loop index for IRR variables\nC-----------------------------------------------------------------------\n#ifdef parallel\n PC = COL\n PR = ROW\n#else\nC -- serial case, calculations are shifted to the origin but not in\nC parallel implementation\n PC = COL - MY_IRR_BEGCOL + 1\n PR = ROW - MY_IRR_BEGROW + 1\n#endif\n PL = LEV - MY_IRR_BEGLEV + 1\n\n DO NIRR = 1, NIRRVAR\n IRROUT( PC,PR,PL,NIRR ) = IRROUT( PC,PR,PL,NIRR )\n & + IRRSUM( NIRR ) \n END DO\n\n RETURN\n END SUBROUTINE PA_IRR_CELLENDF\n SUBROUTINE PA_IRR_BLKENDC ( OFFSET, CCOL, CROW, CLEV,\n & NORDCELL, NIRRCLS, IRRCELL )\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Updates the IRROUT array after a block is finished for the case\nc in which the cell composition of the block can change\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE CGRID_SPCS ! CGRID mechanism species\n USE PA_DEFN ! Process Anaylsis control and data variables\n USE PAGRD_DEFN ! PA horiz domain specs\n \n IMPLICIT NONE\nC..Arguments \n INTEGER, INTENT( IN ) :: OFFSET ! Offset to 1st cell in a block\n INTEGER, INTENT( IN ) :: CCOL ( : ) ! Column pointer for cell\n INTEGER, INTENT( IN ) :: CROW ( : ) ! Row pointer for cell\n INTEGER, INTENT( IN ) :: CLEV ( : ) ! Level pointer for cell\n INTEGER, INTENT( IN ) :: NORDCELL( : ) ! Cell number of ordered cells in a block\n INTEGER, INTENT( INOUT ) :: NIRRCLS ! No. of cells in block for IRR cells\n INTEGER, INTENT( INOUT ) :: IRRCELL( : ) ! Cell No. of an IRR cell\n\nC..Includes: None\n\nC..Scratch Local Variables:\n INTEGER BLK ! Loop index for blocks\n INTEGER CELL ! Counter of cells in a block\n INTEGER COL, ROW, LEV ! Column, row, and level indices\n INTEGER ECL ! Ending cell no. of block\n INTEGER ICL ! Loop index for cells in a block\n INTEGER NCELL ! Loop index for cells in a block\n INTEGER PC, PR, PL ! Column, row, and level indices for PA outputs\n INTEGER NIRR ! Loop index for IRR variables\n INTEGER SCL ! Starting cell no. of block\nC-----------------------------------------------------------------------\n DO NCELL = 1, NIRRCLS\n CELL = IRRCELL( NCELL )\n ICL = NORDCELL( OFFSET + CELL )\n COL = CCOL( ICL )\n ROW = CROW( ICL )\n LEV = CLEV( ICL )\n\nC -- in serial case, calculations are shifted to the origin but not in\nC parallel implementation\n\n#ifdef parallel\n PC = COL\n PR = ROW\n#else\n PC = COL - MY_IRR_BEGCOL + 1\n PR = ROW - MY_IRR_BEGROW + 1\n#endif\n PL = LEV - MY_IRR_BEGLEV + 1\n\n DO NIRR = 1, NIRRVAR\n IRROUT( PC,PR,PL,NIRR ) = IRROUT( PC,PR,PL,NIRR )\n & + IRRBLK( NCELL,NIRR ) \n END DO\n END DO\n\n RETURN\n\n END SUBROUTINE PA_IRR_BLKENDC\n\n END MODULE PA_IRR_CLT\n" }, { "path": "CCTM/src/procan/pa/PA_IRR_module.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n MODULE PA_IRR_MODULE \n \n IMPLICIT NONE\n \n INTERFACE PA_IRR\n MODULE PROCEDURE PA_IRR_BLOCKED, PA_IRR_UNBLOCKED\n END INTERFACE\n\n CONTAINS\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE PA_IRR_BLOCKED ( LSTART, LCHGVL, RK, CONC, DELT, NUMCELLS, ICLND )\n\nC-----------------------------------------------------------------------\nC Function: Integrate chemical rates of reaction for an IRR/MB analysis\n \nC Preconditions: None\n \nC Key Subroutines/Functions Called: None\n \nC Revision History:\nC Prototype created by Jerry Gipson, September, 1996\nC global BLKPRM Jeff Dec 96\nC Modified Sept, 1997 by Jerry Gipson to be consistent with targeted CTM\nC Modified Jun, 1998 by Jerry Gipson to add reaction number error checks\nC Modified 1/19/99 by David Wong at LM:\nC -- add four include files because of new PA_CMN.EXT\nC Modified 2/26/99 by David Wong at LM:\nC -- remove SUBST_AE_SPC, SUBST_NR_SPC, SUBST_TR_SPC,\nC three .EXT files\nC 31 Mar 01 J.Young: Use HGRD_DEFN; eliminate BLKPRM.EXT\nC 31 Jan 05 J.Young: dyn alloc - establish both horizontal & vertical\nC domain specifications in one module\nC 21 Jun 10 J.Young: convert for Namelist redesign\nC 19 Aug 11 J.Young: Replaced I/O API include files with UTILIO_DEFN\nC 07 Jul 14 B.Hutzell: replaced mechanism include file(s) with fortran module\n\nC-----------------------------------------------------------------------\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE RXNS_DATA ! chemical mechanism data\n USE CGRID_SPCS ! CGRID mechanism species\n USE PA_DEFN ! Process Anaylsis control and data variables\n USE UTILIO_DEFN\n\n IMPLICIT NONE \n\nC..Includes: None\n \nC..Arguments: \n LOGICAL, INTENT( IN ) :: LSTART ! Flag to indicate start of chemical integration period\n LOGICAL, INTENT( IN ) :: LCHGVL ! Flag to indicate vector length is changing\n\n REAL(8), INTENT( IN ) :: RK( :,: ) ! Reaction rate coefficients\n REAL(8), INTENT( IN ) :: CONC( :,: ) ! Species concentrations\n REAL(8), INTENT( IN ) :: DELT ! Chemistry integration time size\n INTEGER, INTENT( IN ) :: NUMCELLS ! Number of cells to process\n INTEGER, INTENT( IN ) :: ICLND( : ) ! Original cell number \n\nC..Parameters: None\n\nC..External Functions: None\n \nC..Saved Local Variables:\n CHARACTER( 16 ) , SAVE :: PNAME = 'PA_IRR' ! Program name\n CHARACTER( 132) :: MSG\n\n LOGICAL, SAVE :: LFIRST = .TRUE. ! Flag for first call to subroutine\nC..Scratch Local Variables:\n INTEGER ISP1, ISP2, ISP3 ! Species indices\n INTEGER NCELL ! Loop index for cells\n INTEGER NIRR ! Loop index for IRR outputs\n INTEGER NOUT ! IRR output index\n INTEGER NRX ! Loop index for reactions\n INTEGER NTEMP ! Loop index for temp IRRs\n INTEGER NTERM ! Loop index for terms\n INTEGER ASTAT ! allocation status\n\n REAL(8) :: COEFF ! Coefficient of IRR term\nC..Saved Local Variables:\n LOGICAL, ALLOCATABLE, SAVE :: LINTRXN( : ) ! Flag for reaction integration\n\n REAL(8), ALLOCATABLE, SAVE :: RXOLD ( :,: )\n REAL(8), ALLOCATABLE, SAVE :: RXSAV ( :,: ) \n REAL(8), ALLOCATABLE, SAVE :: RXRAT ( :,: ) ! Calculated reaction rates\n REAL(8), ALLOCATABLE, SAVE :: INTRXN ( :,: ) ! Integrated reaction rates\n REAL(8), ALLOCATABLE, SAVE :: TEMPIRR( :,: ) ! Array of computed temp IRRs\n\nC-----------------------------------------------------------------------\n\n IF ( LFIRST ) THEN\nC Allocate PA_DEFN arrays:\n ALLOCATE ( IRRSTEP( BLKSIZE,NIRRVAR ),\n & IRRBLK ( BLKSIZE,NIRRVAR ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n MSG = 'Failure initializing IRRSTEP of IRRBLK'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\nC On first call, flag the reactions for which to calculate IRRs\n ALLOCATE( LINTRXN( NRXNS ),\n & RXOLD ( BLKSIZE, NRXNS ),\n & RXSAV ( BLKSIZE, NRXNS ),\n & RXRAT ( BLKSIZE, NRXNS ),\n & INTRXN ( BLKSIZE, NRXNS ),\n & TEMPIRR( BLKSIZE, NRXNS ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n MSG = 'ERROR allocating PA_IRR variables'\n CALL M3EXIT ( 'PA_IRR', 0, 0, MSG, XSTAT2 )\n END IF\n \n IF ( LFULLIRR .AND. NIRRVAR .NE. NRXNS ) THEN\n MSG = 'Number of reactions for PA does not match number of ' //\n & 'reactions in mechanism'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n \n IF ( LFULLIRR ) THEN\n LINTRXN = .TRUE.\n ELSE\n LINTRXN = .FALSE.\n IF ( NUMTEMPS .GT. 0 ) THEN \n DO NTEMP = 1, NUMTEMPS \n DO NTERM = 1, TEMPTERMS( NTEMP )\n NRX = TEMPRXN( NTEMP,NTERM )\n IF ( NRX .GT. NRXNS ) THEN\n MSG = 'Number of reactions for PA does not match ' //\n & 'number of reactions in mechanism'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n LINTRXN( NRX ) = .TRUE.\n END DO\n END DO\n END IF\n\n IF ( NIRRVAR .GT. 0 ) THEN\n DO NOUT = 1, NIRRVAR\n IF ( NIRRRXNS( NOUT ) .GT. 0 ) THEN\n DO NTERM = 1, NIRRRXNS( NOUT )\n NRX = IRRRXN( NOUT,NTERM )\n IF ( NRX .GT. NRXNS ) THEN\n MSG = 'Number of reactions for PA does not match ' //\n & 'number of reactions in mechanism'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n LINTRXN( NRX ) = .TRUE.\n END DO\n END IF\n END DO\n END IF\n\n END IF\n \n LFIRST = .FALSE. \n\n END IF ! LFIRST\n \nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Loop over reactions and calculate rate of reaction with current\nc concentrations (This needs to be optimized for small NUMCELLS)\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n DO NRX = 1, NRXNS\n IF ( LINTRXN( NRX ) ) THEN\n IF ( NREACT( NRX ) .EQ. 1 ) THEN\n ISP1 = IRR( NRX,1 )\n DO NCELL = 1, NUMCELLS\n RXRAT( NCELL,NRX ) = RK( NCELL,NRX )\n & * CONC( NCELL,ISP1 )\n END DO\n ELSE IF ( NREACT( NRX ) .EQ. 2 ) THEN\n ISP1 = IRR( NRX,1 )\n ISP2 = IRR( NRX,2 )\n DO NCELL = 1, NUMCELLS\n RXRAT( NCELL,NRX ) = RK( NCELL,NRX )\n & * CONC( NCELL,ISP1 )\n & * CONC( NCELL,ISP2 ) \n END DO\n ELSE IF ( NREACT( NRX ) .EQ. 3 ) THEN\n ISP1 = IRR( NRX,1 )\n ISP2 = IRR( NRX,2 )\n ISP3 = IRR( NRX,3 )\n DO NCELL = 1, NUMCELLS\n RXRAT( NCELL,NRX ) = RK( NCELL,NRX )\n & * CONC( NCELL,ISP1 )\n & * CONC( NCELL,ISP2 )\n & * CONC( NCELL,ISP3 ) \n END DO \n ELSE IF (NREACT( NRX ) .EQ. 0 ) THEN\n DO NCELL = 1, NUMCELLS\n RXRAT( NCELL,NRX ) = RK( NCELL,NRX )\n END DO\n END IF\n END IF \n100 END DO\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc If this is the start of the chemistry integration period, save the \nc reaction rates, and return\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( LSTART ) THEN\n DO NRX = 1, NRXNS\n IF ( LINTRXN( NRX ) ) THEN\n DO NCELL = 1, NUMCELLS\n RXOLD( NCELL,NRX ) = RXRAT( NCELL,NRX )\n RXSAV( NCELL,NRX ) = RXRAT( NCELL,NRX )\n END DO \n END IF\n END DO\n IF ( LCHGVL ) THEN\nc..For changing block lengths\n DO NIRR = 1, NIRRVAR\n DO NCELL = 1, NUMCELLS\n IRRBLK( ICLND( NCELL ),NIRR ) = 0.0\n END DO\n END DO\n ELSE\n DO NIRR = 1, NIRRVAR\n DO NCELL = 1, NUMCELLS\n IRRBLK( NCELL,NIRR ) = 0.0\n END DO\n END DO\n END IF\n RETURN\n END IF ! LSTART\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Initialize calculated IRRs to zero and get the reaction rate at\nc the previous step if the cell vector length is changing\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n DO NIRR = 1, NIRRVAR\n DO NCELL = 1, NUMCELLS\n IRRSTEP( NCELL,NIRR ) = 0.0D0\n END DO\n END DO\n\n IF ( LCHGVL ) THEN\n DO NIRR = 1, NRXNS\n IF ( LINTRXN( NIRR ) ) THEN\n DO NCELL = 1, NUMCELLS\n RXOLD( NCELL,NIRR ) = RXSAV( ICLND( NCELL ),NIRR )\n END DO\n END IF\n END DO\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Compute integrated reaction rates for each reaction and return\nc if a Full IRR analysis is being done \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n DO NRX = 1, NRXNS\n IF ( LINTRXN( NRX ) ) THEN\n DO NCELL = 1, NUMCELLS\n INTRXN( NCELL,NRX ) = 0.5D0 * DELT\n & * ( RXOLD( NCELL,NRX )\n & + RXRAT( NCELL,NRX ) )\n END DO\n END IF\n END DO\n\n IF ( LFULLIRR ) THEN\n DO NRX = 1, NRXNS\n DO NCELL = 1, NUMCELLS\n IRRSTEP( NCELL,NRX ) = INTRXN( NCELL,NRX ) \n END DO\n END DO\n ELSE \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Compute the temporary IRRs that are used below\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( NUMTEMPS .GT. 0 ) THEN \n DO NTEMP = 1, NUMTEMPS\n DO NCELL = 1, NUMCELLS\n TEMPIRR( NCELL,NTEMP ) = 0.0D0\n END DO\n END DO \n DO NTEMP =1, NUMTEMPS \n DO NTERM = 1, TEMPTERMS( NTEMP )\n NRX = TEMPRXN( NTEMP,NTERM )\n COEFF = REAL( TEMPCOEF( NTEMP, NTERM ), 8)\n DO NCELL = 1, NUMCELLS\n TEMPIRR( NCELL,NTEMP ) = TEMPIRR( NCELL,NTEMP )\n & + COEFF * INTRXN( NCELL,NRX )\n END DO\n END DO\n END DO \n END IF \nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Sum up all IRRs for the output IRR for this step\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc\nc..Add required temporary IRRs if they are positive\nc\n IF ( NUMOUTPOS .GT. 0 ) THEN\n DO NTERM = 1, NUMOUTPOS\n NTEMP = TEMPOUTPOS( NTERM )\n NOUT = INDXOUTPOS( NTERM )\n COEFF = REAL( COEFOUTPOS( NTERM ), 8)\n DO NCELL = 1, NUMCELLS\n IF ( TEMPIRR( NCELL,NTEMP ) .GT. 0.0D0 ) THEN\n IRRSTEP( NCELL,NOUT ) = IRRSTEP( NCELL,NOUT )\n & + COEFF * TEMPIRR( NCELL,NTEMP )\n END IF\n END DO\n END DO\n END IF \nc..Add required temporary IRRs if they are negative\n IF ( NUMOUTNEG .GT. 0 ) THEN\n DO NTERM = 1, NUMOUTNEG\n NTEMP = TEMPOUTNEG( NTERM )\n NOUT = INDXOUTNEG( NTERM )\n COEFF = REAL( COEFOUTNEG( NTERM ), 8)\n DO NCELL = 1, NUMCELLS\n IF ( TEMPIRR( NCELL,NTEMP ) .LT. 0.0D0 ) THEN\n IRRSTEP( NCELL,NOUT ) = IRRSTEP( NCELL,NOUT )\n & + COEFF * ABS( TEMPIRR( NCELL,NTEMP ) )\n END IF\n END DO\n END DO\n END IF\nc..Add temporary IRRs that do not depend on sign\n IF ( NUMOUTIND .GT. 0 ) THEN\n DO NTERM = 1, NUMOUTIND\n NTEMP = TEMPOUTIND( NTERM )\n NOUT = INDXOUTIND( NTERM )\n COEFF = REAL( COEFOUTIND( NTERM ), 8 )\n DO NCELL = 1, NUMCELLS\n IRRSTEP( NCELL,NOUT ) = IRRSTEP( NCELL,NOUT )\n & + COEFF * TEMPIRR( NCELL,NTEMP )\n END DO\n END DO\n END IF\nc..Add all remaining IRRs terms\n DO NOUT = 1, NIRRVAR\n IF ( NIRRRXNS( NOUT ) .GT. 0 ) THEN\n DO NTERM = 1, NIRRRXNS( NOUT )\n COEFF = REAL( IRRCOEF( NOUT,NTERM ), 8)\n NRX = IRRRXN( NOUT,NTERM )\n DO NCELL = 1, NUMCELLS\n IRRSTEP( NCELL,NOUT ) = IRRSTEP( NCELL,NOUT )\n & + COEFF * INTRXN( NCELL,NRX )\n END DO\n END DO\n END IF\n END DO\n END IF\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Update the array holding the cumulative results over all steps and\nc save the rxrates for the next step\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( LCHGVL ) THEN\nc..For changing block lengths\n DO NIRR = 1, NIRRVAR\n DO NCELL = 1, NUMCELLS\n IRRBLK( ICLND( NCELL ),NIRR ) = IRRBLK( ICLND( NCELL ),NIRR )\n & + REAL( IRRSTEP( NCELL,NIRR ) )\n END DO\n END DO\n DO NIRR = 1, NRXNS\n IF ( LINTRXN( NIRR ) ) THEN\n DO NCELL = 1, NUMCELLS\n RXSAV( ICLND( NCELL ),NIRR ) = RXRAT( NCELL,NIRR )\n END DO\n END IF\n END DO\n ELSE\nc..For static block lengths\n DO NIRR = 1, NIRRVAR\n DO NCELL = 1, NUMCELLS\n IRRBLK( NCELL,NIRR ) = IRRBLK( NCELL,NIRR )\n & + REAL( IRRSTEP( NCELL,NIRR ) )\n END DO\n END DO\n DO NIRR = 1, NRXNS\n IF ( LINTRXN( NIRR ) ) THEN\n DO NCELL = 1, NUMCELLS\n RXOLD( NCELL,NIRR ) = RXRAT( NCELL,NIRR )\n END DO\n END IF\n END DO\n END IF\n\n RETURN\n END SUBROUTINE PA_IRR_BLOCKED\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE PA_IRR_UNBLOCKED ( LSTART, RK, CONC, DELT )\n\nC-----------------------------------------------------------------------\nC Function: Integrate chemical rates of reaction for an IRR/MB analysis\n \nC Preconditions: None\n \nC Key Subroutines/Functions Called: None\n \nC Revision History:\nC Prototype created by Jerry Gipson, September, 1996\nC global BLKPRM Jeff Dec 96\nC Modified Sept, 1997 by Jerry Gipson to be consistent with targeted CTM\nC Modified Jun, 1998 by Jerry Gipson to add reaction number error checks\nC Modified 1/19/99 by David Wong at LM:\nC -- add four include files because of new PA_CMN.EXT\nC Modified 2/26/99 by David Wong at LM:\nC -- remove SUBST_AE_SPC, SUBST_NR_SPC, SUBST_TR_SPC,\nC three .EXT files\nC 31 Mar 01 J.Young: Use HGRD_DEFN; eliminate BLKPRM.EXT\nC 31 Jan 05 J.Young: dyn alloc - establish both horizontal & vertical\nC domain specifications in one module\nC 21 Jun 10 J.Young: convert for Namelist redesign\nC 19 Aug 11 J.Young: Replaced I/O API include files with UTILIO_DEFN\nC 07 Jul 14 B.Hutzell: replaced mechanism include file(s) with fortran module\n\nC-----------------------------------------------------------------------\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE RXNS_DATA ! chemical mechanism data\n USE CGRID_SPCS ! CGRID mechanism species\n USE PA_DEFN ! Process Anaylsis control and data variables\n USE UTILIO_DEFN\n\n IMPLICIT NONE \n\nC..Includes: None\n \nC..Arguments: \n LOGICAL, INTENT( IN ) :: LSTART ! Flag to indicate start of chemical integration period\n\n REAL( 8 ), INTENT( IN ) :: RK ( : ) ! Reaction rate coefficients\n REAL( 8 ), INTENT( IN ) :: CONC( : ) ! species concentrations\n REAL( 8 ), INTENT( IN ) :: DELT ! Chemistry integration time size\n\nC..Parameters: None\n\nC..External Functions: None\n \n CHARACTER( 16 ) , SAVE :: PNAME = 'PA_IRR' ! Program name\n CHARACTER( 132) :: MSG\n\n LOGICAL, SAVE :: LFIRST = .TRUE. ! Flag for first call to subroutine\n\nC..Scratch Local Variables:\n INTEGER ISP1, ISP2, ISP3 ! Species indices\n INTEGER NCELL ! Loop index for cells\n INTEGER NIRR ! Loop index for IRR outputs\n INTEGER NOUT ! IRR output index\n INTEGER NRX ! Loop index for reactions\n INTEGER NTEMP ! Loop index for temp IRRs\n INTEGER NTERM ! Loop index for terms\n INTEGER ASTAT ! allocation status\n\n\n REAL( 8 ) :: COEFF ! Coefficient of IRR term\nC..Saved Local Variables:\n LOGICAL, ALLOCATABLE, SAVE :: LINTRXN( : ) ! Flag for reaction integration\n\n REAL(8), ALLOCATABLE, SAVE :: RXRAT ( : ) ! Calculated reaction rates\n REAL(8), ALLOCATABLE, SAVE :: INTRXN ( : ) ! Integrated reaction rates\n REAL(8), ALLOCATABLE, SAVE :: TEMPIRR( : ) ! Array of computed temp IRRs\n\nC-----------------------------------------------------------------------\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc On first call, flag the reactions for which to calculate IRRs\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( LFIRST ) THEN\n\nC Allocate PA_DEFN arrays:\n ALLOCATE ( IRRDEL( NIRRVAR ),\n & IRRSUM( NIRRVAR ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n MSG = 'Failure initializing IRRSTEP of IRRBLK'\n CALL M3EXIT( 'PA_IRR', 0, 0, MSG, XSTAT1 )\n END IF\n\n ALLOCATE( LINTRXN( NRXNS ),\n & RXRAT ( NRXNS ),\n & INTRXN ( NRXNS ),\n & TEMPIRR( NRXNS ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n MSG = 'ERROR allocating PA_IRR variables'\n CALL M3EXIT ( 'PA_IRR', 0, 0, MSG, XSTAT2 )\n END IF\n \n IF ( LFULLIRR .AND. NIRRVAR .NE. NRXNS ) THEN\n CALL M3EXIT( PNAME, 0, 0,\n & 'Number of reactions for PA does not match number of ' //\n & 'reactions in mechanism', XSTAT2 )\n END IF\n \n IF ( LFULLIRR )THEN\n LINTRXN = .TRUE.\n ELSE\n LINTRXN = .FALSE.\n IF ( NUMTEMPS .GT. 0 ) THEN \n IF( ANY( TEMPRXN .GT. NRXNS ) )THEN \n CALL M3EXIT( PNAME, 0, 0,\n & 'Number of reactions for PA does not match ' //\n & 'number of reactions in mechanism', XSTAT2 )\n END IF\n DO NTEMP = 1, NUMTEMPS \n DO NTERM = 1, TEMPTERMS( NTEMP )\n NRX = TEMPRXN( NTEMP,NTERM )\n LINTRXN( NRX ) = .TRUE.\n END DO\n END DO\n END IF\n IF ( NIRRVAR .GT. 0 ) THEN\n IF( ANY( NIRRRXNS .GT. NRXNS ) )THEN \n CALL M3EXIT( PNAME, 0, 0,\n & 'Number of reactions for PA does not match ' //\n & 'number of reactions in mechanism', XSTAT2 )\n END IF\n DO NOUT = 1, NIRRVAR\n IF ( NIRRRXNS( NOUT ) .GT. 0 ) THEN\n DO NTERM = 1, NIRRRXNS( NOUT )\n NRX = IRRRXN( NOUT,NTERM )\n LINTRXN( NRX ) = .TRUE.\n END DO\n END IF\n END DO\n END IF\n END IF\n \n LFIRST = .FALSE.\n\n END IF ! LFIRST\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Loop over reactions and calculate rate of reaction with current\nc concentrations (This needs to be optimized for small NUMCELLS)\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n DO 100 NRX = 1, NRXNS\n IF ( LINTRXN( NRX ) ) THEN\n IF ( NREACT( NRX ) .EQ. 1 ) THEN\n ISP1 = IRR( NRX,1 )\n RXRAT( NRX ) = RK( NRX )\n & * CONC( ISP1 )\n ELSE IF ( NREACT( NRX ) .EQ. 2 ) THEN\n ISP1 = IRR( NRX,1 )\n ISP2 = IRR( NRX,2 )\n RXRAT( NRX ) = RK( NRX )\n & * CONC( ISP1 )\n & * CONC( ISP2 ) \n ELSE IF ( NREACT( NRX ) .EQ. 3 ) THEN\n ISP1 = IRR( NRX,1 )\n ISP2 = IRR( NRX,2 )\n ISP3 = IRR( NRX,3 )\n RXRAT( NRX ) = RK( NRX )\n & * CONC( ISP1 )\n & * CONC( ISP2 )\n & * CONC( ISP3 ) \n ELSE IF (NREACT( NRX ) .EQ. 0 ) THEN\n RXRAT( NRX ) = RK( NRX )\n END IF\n END IF \n100 CONTINUE\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc If this is the start of the chemistry integration period, save the \nc reaction rates, and return\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( LSTART ) THEN\n IRRSUM = 0.0\n RETURN\n END IF\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Initialize calculated IRRs to zero and get the reaction rate at\nc the previous step if the cell vector length is changing\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IRRDEL = 0.0D0\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Compute integrated reaction rates for each reaction and return\nc if a Full IRR analysis is being done \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n DO NRX = 1, NRXNS\n IF ( LINTRXN( NRX ) ) THEN\n INTRXN( NRX ) = DELT * RXRAT( NRX ) \n END IF\n END DO\n\n IF ( LFULLIRR ) THEN\n DO NRX = 1, NRXNS\n IRRDEL( NRX ) = INTRXN( NRX ) \n END DO\n ELSE \n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Compute the temporary IRRs that are used below\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( NUMTEMPS .GT. 0 ) THEN\n TEMPIRR = 0.0D0\n DO NTEMP = 1, NUMTEMPS \n DO NTERM = 1, TEMPTERMS( NTEMP )\n NRX = TEMPRXN( NTEMP,NTERM )\n COEFF = REAL( TEMPCOEF( NTEMP, NTERM ), 8) \n TEMPIRR( NTEMP ) = TEMPIRR( NTEMP )\n & + COEFF * INTRXN( NRX )\n END DO\n END DO\n END IF \nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Sum up all IRRs for the output IRR for this step\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc\nc..Add required temporary IRRs if they are positive\nc\n IF ( NUMOUTPOS .GT. 0 ) THEN\n DO NTERM = 1, NUMOUTPOS\n NTEMP = TEMPOUTPOS( NTERM )\n NOUT = INDXOUTPOS( NTERM )\n COEFF = REAL( COEFOUTPOS( NTERM ), 8)\n IF ( TEMPIRR( NTEMP ) .GT. 0.0D0 ) THEN\n IRRDEL( NOUT ) = IRRDEL( NOUT )\n & + COEFF * TEMPIRR( NTEMP )\n END IF\n END DO\n END IF \nc..Add required temporary IRRs if they are negative\n IF ( NUMOUTNEG .GT. 0 ) THEN\n DO NTERM = 1, NUMOUTNEG\n NTEMP = TEMPOUTNEG( NTERM )\n NOUT = INDXOUTNEG( NTERM )\n COEFF = REAL( COEFOUTNEG( NTERM ), 8 )\n IF ( TEMPIRR( NTEMP ) .LT. 0.0D0 ) THEN\n IRRDEL( NOUT ) = IRRDEL( NOUT )\n & + COEFF * ABS( TEMPIRR( NTEMP ) )\n END IF\n END DO\n END IF \nc..Add temporary IRRs that do not depend on sign\n IF ( NUMOUTIND .GT. 0 ) THEN\n DO NTERM = 1, NUMOUTIND\n NTEMP = TEMPOUTIND( NTERM )\n NOUT = INDXOUTIND( NTERM )\n COEFF = REAL( COEFOUTIND( NTERM ), 8)\n IRRDEL( NOUT ) = IRRDEL( NOUT )\n & + COEFF * TEMPIRR( NTEMP )\n END DO\n END IF \nc..Add all remaining IRRs terms\n DO NOUT = 1, NIRRVAR\n IF ( NIRRRXNS( NOUT ) .GT. 0 ) THEN\n DO NTERM = 1, NIRRRXNS( NOUT )\n COEFF = REAL( IRRCOEF( NOUT,NTERM ), 8)\n NRX = IRRRXN( NOUT,NTERM )\n IRRDEL( NOUT ) = IRRDEL( NOUT )\n & + COEFF * INTRXN( NRX )\n END DO\n END IF\n END DO\n END IF\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Update the array holding the cumulative results over all steps and\nc save the rxrates for the next step\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n DO NIRR = 1, NIRRVAR\n IRRSUM( NIRR ) = IRRSUM ( NIRR ) + REAL( IRRDEL( NIRR ) )\n END DO\n\n RETURN\n END SUBROUTINE PA_IRR_UNBLOCKED\n\n END MODULE PA_IRR_MODULE\n" }, { "path": "CCTM/src/procan/pa/PA_PARSE.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC......................................................................\n MODULE PA_PARSE\n \nC Contains: data used by parsing routines in the Process Analysis Control Program\n \nC methods: rdline, getchr, getword, eatcom, getreal, getlabel, getquote, catstring\n \nC Revision History:\nC Based on code created by Jerry Gipson, 1996, 1997\nC PA_PARSE.F module; 13 Jul 2016; Jeff Young\nC Sep 2018 C. Nolte, S. Roselle: replace M3UTILIO with UTILIO_DEFN\nC......................................................................\n\n IMPLICIT NONE\n\nC Parameters:\n INTEGER, PARAMETER :: BUFLEN = 81 ! Length of one input line\n INTEGER, PARAMETER :: LABLEN = 16 ! Label character length\n INTEGER, PARAMETER :: WRDLEN = 16 ! Word character length\n INTEGER, PARAMETER :: IZERO = 0 ! Integer zero\n\nC Variables:\n CHARACTER( 1 ) :: CHR ! Last character read from input buffer\n CHARACTER( 200 ) :: MSG ! Error message output buffer \n CHARACTER( 60 ) :: QUOTE ! String found by GETQUOTE\n CHARACTER( BUFLEN ) :: INBUF ! Input line\n CHARACTER( LABLEN ) :: LABEL ! Label found by getlabel \n CHARACTER( WRDLEN ) :: WORD ! Word found by GETWORD\n \n INTEGER IEOL ! Position of last non-blank character\n INTEGER IFILE ! Unit number of input ASCII File\n INTEGER LINNUM ! Number of last line read \n INTEGER LPOINT ! Pointer to location of last character read\n\n REAL NUMBER ! Real number found by GETREAL\n\n CONTAINS\nC=======================================================================\n SUBROUTINE RDLINE\n\nC......................................................................\nC Function: Reads one line from a file and stores it in INBUF.\nC The position of the last non-blank character is stored\nC in IEOL. All blank lines and lines with a ! in the first\nC column are skipped. The line count is stored in LINNUM.\nC......................................................................\n\n USE UTILIO_DEFN\n\n IMPLICIT NONE\nC.......................................................................\n\nc..Read the first non-comment line and find the last non-blank character\nc..in that line\n20 CONTINUE\n READ( IFILE, '( A )', END = 999 ) INBUF\n LINNUM = LINNUM + 1\n IF ( INBUF( 1:1 ) .EQ. '!' ) THEN\n GO TO 20\n ELSE\n IEOL = LEN_TRIM( INBUF )\n IF ( IEOL .EQ. 1 .AND. INBUF( 1:1 ) .EQ. ' ' ) THEN\n GO TO 20\n ELSE\n LPOINT = 0\n RETURN\n END IF\n END IF\n\n999 CONTINUE\nc..eof file encountered -- exit program\n WRITE( MSG, 94000 )\n CALL M3MESG( MSG )\n WRITE( MSG, 94020 )\n CALL M3MESG( MSG )\n CALL M3EXIT( 'RDLINE', IZERO, IZERO, ' ', XSTAT2 )\n\n94000 FORMAT( 'ERROR: End of file reached on the Process Analysis',\n & ' command file' )\n94020 FORMAT( 10X, 'ENDPA must be the last command' )\n\n END SUBROUTINE RDLINE\n\nC=======================================================================\n SUBROUTINE GETCHR\n\nC......................................................................\nC Function: Returns the next non-blank character in the input buffer,\nC excluding those in comments\n\nC Key Subroutines/Functions Called: EATCOM, RDLINE\nC......................................................................\n\n IMPLICIT NONE\nC.......................................................................\n\n20 CONTINUE\n LPOINT = LPOINT + 1\n IF ( LPOINT .GT. IEOL ) THEN\n CALL RDLINE\n GO TO 20\n ELSE\n CHR = INBUF( LPOINT : LPOINT )\n IF ( CHR .EQ. ' ' ) THEN\n GO TO 20\n ELSE IF ( CHR .EQ. '(' .OR. CHR .EQ. '{' ) THEN\n CALL EATCOM\n GO TO 20\n END IF\n END IF\n\n RETURN\n END SUBROUTINE GETCHR\n\nC=======================================================================\n SUBROUTINE GETWORD\n\nC......................................................................\nC Function: Get the next word from the input buffer starting\nC with the current character; the word can be any length,\nC but only the first sixteen characters are retained. The\nC first character must be alphabetic.\n\nC Preconditions: None\n\nC Key Subroutines/Functions Called: EATCOM, GETCHR, RDLINE\nC......................................................................\n\n USE UTILIO_DEFN\n\n IMPLICIT NONE\n\nC Local Variables:\n CHARACTER( BUFLEN ) :: SAVBUF ! Saved input buffer\n\n INTEGER START ! Starting position in input buffer\n INTEGER LENGTH ! Length of word\nC.......................................................................\n\nc..Setup and make sure the first character is alphabetic\n LENGTH = 0\n START = LPOINT\n SAVBUF = INBUF\n IF ( ( CHR .LT. 'A' .OR. CHR .GT. 'Z' ) .AND.\n & ( CHR .LT. 'a' .OR. CHR .GT. 'z' ) ) THEN\n WRITE( MSG, 94000 )\n CALL M3MESG( MSG )\n WRITE( MSG, 94020 ) LINNUM, INBUF\n CALL M3MESG( MSG )\n WRITE( MSG, 94040 ) CHR\n CALL M3MESG( MSG )\n CALL M3EXIT( 'GETWORD', IZERO, IZERO, ' ', XSTAT2 )\n END IF\n\nc..Get the remaining characters; stop if a word spans a line\n20 CONTINUE\n LENGTH = LENGTH + 1\n LPOINT = LPOINT + 1\n\nc..Get the next line if necessary (word wrap not allowed)\n IF ( LPOINT .GT. IEOL ) THEN\n CALL RDLINE\n CALL GETCHR\n CHR = INBUF( LPOINT:LPOINT )\n IF ( ( CHR .GE. 'A' .AND. CHR .LE. 'Z' ) .OR.\n & ( CHR .GE. 'a' .AND. CHR .LE. 'z' ) .OR.\n & ( CHR .EQ. ':' ) .OR. ( CHR .EQ. '_' ) )THEN\n WRITE( MSG, 94060 )\n CALL M3MESG( MSG )\n WRITE( MSG, 94020 ) LINNUM, SAVBUF\n CALL M3EXIT( 'GETWORD', IZERO, IZERO, ' ', XSTAT2 )\n ELSE\n GO TO 40 ! Word does not wrap around line\n END IF\n END IF\n\nc..Include all characters in word that are valid; stop reading on an\nc..ivalid character\n CHR = SAVBUF( LPOINT:LPOINT )\n IF ( CHR .GE. 'A' .AND. CHR .LE. 'Z' ) GO TO 20\n IF ( CHR .GE. 'a' .AND. CHR .LE. 'z' ) GO TO 20\n IF ( CHR .GE. '0' .AND. CHR .LE. '9' ) GO TO 20\n IF ( CHR .EQ. ':' ) GO TO 20\n IF ( CHR .EQ. '_' ) GO TO 20\n IF ( CHR .EQ. '(' .OR. CHR .EQ. '{' ) THEN\n LENGTH = LENGTH - 1\n CALL EATCOM\n GO TO 20\n END IF\n\nc..Truncate the word and get the next character if necessary\n40 CONTINUE\n LENGTH = MIN( LENGTH, WRDLEN )\n WORD = SAVBUF( START:START+LENGTH-1 )\n IF ( CHR .EQ. ' ' ) CALL GETCHR\n\n RETURN\n\n94000 FORMAT( 'ERROR: The first character of a word must be alphabetic' )\n94020 FORMAT( ' Line No. ', I4, ': ', A )\n94040 FORMAT( ' First character: ', A )\n94060 FORMAT( 'ERROR: A word cannot span two lines' )\n\n END SUBROUTINE GETWORD\n\nC=======================================================================\n SUBROUTINE EATCOM\n\nC.......................................................................\nC Function: EATCOM reads past all characters in comments; comments are\nC enclosed in () or {}\n \nC Key Subroutines/Functions Called: GETCHR, RDLINE\nC.......................................................................\n \n IMPLICIT NONE\nC.......................................................................\n \n20 CONTINUE\n LPOINT = LPOINT + 1\n IF ( LPOINT .GT. IEOL ) THEN\n CALL RDLINE\n CALL GETCHR\n GO TO 20\n ELSE\n CHR = INBUF( LPOINT:LPOINT )\n IF( CHR .NE. ')' .AND. CHR .NE. '}' ) GO TO 20\n END IF\n\n RETURN\n\n END SUBROUTINE EATCOM\n\nC=======================================================================\n SUBROUTINE PA_GETREAL\n\nC.......................................................................\nC Function: get the next word from the input buffer starting\nC with the current character; the word can be any length,\nC but only the first sixteen characters are retained. The\nC first character must be alphabetic.\nC.......................................................................\n USE UTILIO_DEFN\n\n IMPLICIT NONE\n \nC Local Variables:\n CHARACTER( 15 ) :: NUMSTRING ! String holding number\n\n INTEGER ICHR ! ASCII code number of character\n INTEGER LENGTH ! Length of numeric string\n INTEGER NOSIGNS ! Number of pos or neg signs found\n INTEGER START ! Starting position in input buffer\n\n LOGICAL LDECIMAL ! Flag to indicate decimal point found\n LOGICAL LEXP ! Flag to indicate exponent found\nC.......................................................................\n \n START = LPOINT\n LENGTH = 0\n NOSIGNS = 0\n LDECIMAL = .FALSE.\n LEXP = .FALSE.\n\nc..Top of loop for getting characters in the number string\n10 CONTINUE\n\n IF ( LENGTH .NE. 0 ) THEN\n LPOINT = LPOINT + 1\n IF ( LPOINT .GT. IEOL ) THEN\n CHR = ' '\n ELSE\n CHR = INBUF( LPOINT:LPOINT )\n END IF\n END IF\n\n ICHR = ICHAR( CHR )\n LENGTH = LENGTH + 1\n\nc..Check for decimal point\n IF ( CHR .EQ. '.' ) THEN\n IF ( .NOT. LDECIMAL ) THEN\n LDECIMAL = .TRUE.\n GO TO 10\n ELSE\n WRITE( MSG, 94000 ) \n CALL M3MESG( MSG )\n WRITE( MSG, 94500 ) LINNUM, INBUF\n CALL M3MESG( MSG )\n WRITE( MSG, 94520 ) INBUF( START:LPOINT )\n CALL M3MESG( MSG )\n CALL M3EXIT( 'GETREAL', IZERO, IZERO,' ', XSTAT2 )\n END IF \n END IF \n\nc..If numeric value, get next character\n IF ( ICHR .GE. 48 .AND. ICHR .LE. 57 ) GO TO 10\n\nc..Check for exponent term\n IF ( CHR .EQ. 'E' .OR. CHR .EQ. 'e' ) THEN\n IF ( .NOT. LEXP ) THEN\n LEXP = .TRUE.\n GO TO 10\n ELSE\n WRITE( MSG, 94020 ) \n CALL M3MESG( MSG )\n WRITE( MSG, 94500 ) LINNUM, INBUF\n CALL M3MESG( MSG )\n WRITE( MSG, 94520 ) INBUF( START:LPOINT )\n CALL M3MESG( MSG )\n CALL M3EXIT( 'GETREAL', IZERO, IZERO, ' ', XSTAT2 )\n END IF\n END IF\n \nc..check for sign\n IF ( CHR .EQ. '+' .OR. CHR .EQ. '-' ) THEN\n NOSIGNS = NOSIGNS + 1\n IF ( NOSIGNS .LE. 2 ) THEN\n GO TO 10\n ELSE\n WRITE( MSG, 94040 ) \n CALL M3MESG( MSG )\n WRITE( MSG, 94500 ) LINNUM, INBUF\n CALL M3MESG( MSG )\n WRITE( MSG, 94520 ) INBUF( START:LPOINT )\n CALL M3MESG( MSG )\n CALL M3EXIT( 'GETREAL', IZERO, IZERO, ' ', XSTAT2 )\n END IF\n END IF\n\nc..End of the numeric string; convert to real number\n NUMSTRING = INBUF( START:LPOINT-1 )\n LENGTH = LENGTH - 1\n IF ( ( .NOT. LEXP ) .AND. ( .NOT. LDECIMAL ) ) THEN\n NUMSTRING = NUMSTRING( 1:LENGTH ) // '.'\n LENGTH = LENGTH + 1\n END IF\n\n READ( NUMSTRING( 1:LENGTH ), '( E20.6 )', ERR = 999 ) NUMBER\n IF ( LPOINT .GT. IEOL ) CALL RDLINE\n IF ( CHR .EQ. ' ' ) CALL GETCHR\n\n RETURN\n\nc..Error converting numeric string to real number\n999 CONTINUE\n WRITE( MSG, 94060 ) \n CALL M3MESG( MSG )\n WRITE( MSG, 94500 ) LINNUM, INBUF\n CALL M3MESG( MSG )\n WRITE( MSG, 94520 ) INBUF( START:LPOINT )\n CALL M3MESG( MSG )\n CALL M3EXIT( 'GETREAL', IZERO, IZERO, ' ', XSTAT2 )\n \n94000 FORMAT( 'ERROR: Two decimal points found in a numeric field' )\n94020 FORMAT( 'ERROR: More than one E or e found in a numeric field' )\n94040 FORMAT( 'ERROR: Too many + or - signs found in a numeric field' )\n94060 FORMAT( 'ERROR: Numeric field contains an invalid character' )\n94500 FORMAT( ' Line No. ', I4, ': ', A )\n94520 FORMAT( ' Numeric field: ', A )\n\n END SUBROUTINE PA_GETREAL\n\nC=======================================================================\n SUBROUTINE GETLABEL\n\nC.......................................................................\nC Function: get all characters except blanks between the\nC delimiters <> or []. Line wrap is allowed. The maximum\nC label length is sixteen characters.\n \nC Key Subroutines/Functions Called: EATCOM, GETCHR\nC.......................................................................\n \n USE UTILIO_DEFN\n\n IMPLICIT NONE\n \nC Local Variables:\n CHARACTER( 1 ) :: BEGCHR ! Starting delimiter for label\n CHARACTER( 1 ) :: ENDCHR ! Ending delimiter for label\n\n INTEGER LENGTH ! Length of label\nC.......................................................................\n \nc..Set beginning and and ending characters delineating the label\n LABEL = ''\n LENGTH = 0\n IF ( CHR .EQ. '<' ) THEN\n BEGCHR = '<'\n ENDCHR = '>'\n ELSE\n BEGCHR = '['\n ENDCHR = ']'\n END IF\n \nc..top of loop for getting next character\n20 CONTINUE\n CALL GETCHR\n\nc..if the end of the label has not been reached, store the character\n IF ( CHR .NE. ENDCHR ) THEN\n IF ( CHR .EQ. '(' .OR. CHR .EQ. '{' ) CALL EATCOM\n LENGTH = LENGTH + 1 \n IF ( LENGTH .GT. 16 ) THEN\n WRITE( MSG, 94000 ) \n CALL M3MESG( MSG )\n WRITE( MSG, 94020 ) LINNUM, INBUF\n CALL M3MESG( MSG )\n WRITE( MSG, 94040 ) BEGCHR, LABEL\n CALL M3MESG( MSG )\n CALL M3EXIT( 'PA_GETLABEL', IZERO, IZERO, ' ', XSTAT2 )\n END IF\n LABEL( LENGTH : LENGTH ) = CHR\n GO TO 20\n END IF\n\n CALL GETCHR\n\n RETURN\n \n94000 FORMAT( 'ERROR: A Reaction label or operator option exceeds 16',\n & ' characters' )\n94020 FORMAT( ' Line No. ', I4, ': ', A )\n94040 FORMAT( ' Label found : ', A, A )\n\n END SUBROUTINE GETLABEL\n\nC=======================================================================\n SUBROUTINE GETQUOTE\n\nC.......................................................................\nC Function: get all characters between apostrophes. \nC Embedded apostrophes indicated by double apostrophes.\nC Line wrap is allowed.\n \nC Key Subroutines/Functions Called: RDLINE, GETCHR\nC.......................................................................\n \n USE UTILIO_DEFN\n\n IMPLICIT NONE\n \nC Local Variables:\n CHARACTER( 1 ) :: APOS = '''' ! Apostrophe (') character\n CHARACTER( 132 ) :: STRING ! Holder for qoute\n\n INTEGER LENGTH ! Length of quote\n INTEGER NXTPOS ! Next character position in input buffer\n\n LOGICAL LCONT ! Flag to continue parsing input buffer\nC.......................................................................\n\n LENGTH = 0\n\nc..Top of loop for reading quote\n20 CONTINUE\n LPOINT = LPOINT + 1\n\nc..get the next line if necessary\n IF ( LPOINT .GT. IEOL ) THEN\n CALL RDLINE\n CALL GETCHR\n END IF\n\nc..get the next character\n CHR = INBUF( LPOINT:LPOINT )\n\nc..check for leading/endiung double apostrophes and get the next character\n IF ( CHR .NE. APOS ) THEN\n LCONT = .TRUE.\n ELSE\n IF ( LPOINT + 1 .GT. IEOL ) THEN\n CALL RDLINE\n NXTPOS = 1\n ELSE\n NXTPOS = LPOINT + 1\n END IF\n IF ( INBUF( NXTPOS : NXTPOS ) .EQ. APOS ) THEN\n LCONT = .TRUE.\n LPOINT = LPOINT + 1\n CHR = INBUF( LPOINT:LPOINT )\n ELSE\n LCONT = .FALSE.\n CALL GETCHR\n END IF\n END IF\n\nc..if continuing, add current character to the output string if \nc..length is OK\n IF ( LCONT ) THEN \n LENGTH = LENGTH + 1\n IF ( LENGTH .GT. 132 ) THEN\n WRITE( MSG, 94000 ) \n CALL M3MESG( MSG )\n WRITE( MSG, 94020 ) LINNUM, INBUF\n CALL M3MESG( MSG )\n CALL M3EXIT( 'PA_GETQUOTE', IZERO, IZERO, ' ', XSTAT2 )\n END IF\n\n IF ( LENGTH .EQ. 1 ) THEN\n STRING( 1:1 ) = CHR\n ELSE\n STRING( 1:LENGTH ) = STRING( 1:LENGTH-1 ) // CHR\n END IF \n GO TO 20\n END IF\n\nc..Linit output string to 60 characters\n LENGTH = MIN( LENGTH, 60 )\n QUOTE = STRING( 1:LENGTH )\n\n RETURN\n\n94000 FORMAT( 'ERROR: Quote exceeds maximum allowable 132 characters' )\n94020 FORMAT( ' Line No. ', I4, ': ', A )\n\n END SUBROUTINE GETQUOTE\n\nC=======================================================================\n SUBROUTINE CATSTRING( NUMSTRNGS, STRING, STROUT, MAXLEN )\n\nC.......................................................................\nC Function: Concatenate a series of strings, eliminating trailing\nC blanks, but leaving a space between each string \nC.......................................................................\n\n IMPLICIT NONE\n \nC Arguments:\n INTEGER NUMSTRNGS ! Number of strings to concatenate\n CHARACTER( * ) :: STRING( * ) ! Strings to concatenate \n CHARACTER( * ) :: STROUT ! Concatenated string output\n INTEGER MAXLEN ! Maximum length of output string\n \nC Local Variables:\n INTEGER LPOS ! Last position in output string\n INTEGER N ! Loop index for number of strings to concatenate\n INTEGER NEWLEN ! Length of string to be concatenated\n LOGICAL LRETURN ! Flag to return because of truncation\nC.......................................................................\n\n LRETURN = .FALSE.\n STROUT = STRING( 1 )\n LPOS = LEN_TRIM( STRING( 1 ) ) + 1\n IF ( NUMSTRNGS .EQ. 1 ) RETURN\n DO N = 2, NUMSTRNGS\n NEWLEN = LEN_TRIM( STRING( N ) )\n IF ( ( LPOS + NEWLEN ) .GE. MAXLEN ) THEN\n NEWLEN = MAXLEN - LPOS\n WRITE( MSG, 94000 ) \n CALL M3MESG( MSG )\n LRETURN = .TRUE.\n END IF\n STROUT = STROUT( 1:LPOS ) // STRING( N )( 1:NEWLEN )\n IF ( LRETURN ) THEN\n RETURN\n ELSE\n LPOS = LPOS + NEWLEN + 1\n END IF\n END DO\n DO N = 1, NUMSTRNGS\n STRING( N ) = ''\n END DO\n\n RETURN\n \n94000 FORMAT( 1X,'WARNING: A string has been truncated because of ',\n & 'excessive length in concatenation' )\n\n END SUBROUTINE CATSTRING\n\n END MODULE PA_PARSE\n" }, { "path": "CCTM/src/procan/pa/PA_VARS.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC......................................................................\n MODULE PA_VARS\n \nC Contains: IRR data used in the Process Analysis Control Program\n \nC Dependent Upon: None\n \nC Revision History:\nC Prototype created by Jerry Gipson, July, 1996\nC Revised by Jerry Gipson April, 1997 to add the ADJC process and replace\nC NSPCSD with NSPCS for dimensioning\nC Modified May, 1997 by Jerry Gipson to be consistent with beta CTM\nC Modified Sept, 1997 by Jerry Gipson to be consistent with targeted CTM\nC Modified May 2002 by Jerry Gipson to increase number of reaction lines (for saprc99)\nC Aug 2011 Jeff Young: Removed domain data\nC Jun 2016 Jeff Young: made PA_VARS.EXT int this module\n \nC......................................................................\n USE PA_GLOBAL, Only: MXSPEC, MXRXNS\n USE CGRID_SPCS, Only:\n & CGRID_SPCS_INIT,\n & N_GC_SPC, GC_SPC,\n & N_AE_SPC, AE_SPC,\n & N_NR_SPC, NR_SPC,\n & N_TR_SPC, TR_SPC\n\n IMPLICIT NONE\n\nC Parameters:\n\n INTEGER, PARAMETER :: MAXFAMLYS = 150 ! Max no. of families\n\n INTEGER, PARAMETER :: MAXRXNSUM = 150 ! Max no. of reaction sums\n\n INTEGER, PARAMETER :: MAXCYCLES = 150 ! Max no. of cycles\n\n INTEGER, PARAMETER :: MAXIRROUT = 900 ! Max number of IRR outputs\n\n INTEGER, PARAMETER :: MAXDEFNAMES = ! Max no. of defined names\n & MAXFAMLYS\n & + MAXRXNSUM\n & + MAXCYCLES\n & + MAXIRROUT\n\n INTEGER, PARAMETER :: MAXRXTERMS = 300 ! Max no. of terms in a reaction sum\n \n INTEGER, PARAMETER :: MAXCYTERMS = 300 ! Max no. of rxns in a cycle\n\n INTEGER, PARAMETER :: MAXOUTTERMS = 300 ! Max no. of terms in an IRR output\n\n INTEGER, PARAMETER :: MAXTERMS = 900 ! Generic max no. of terms\n\n INTEGER, PARAMETER :: MAXFAMMEM = MXSPEC ! Max no of members in any family\n\n INTEGER, PARAMETER :: MXMECHLINE = 30\n\n INTEGER, PARAMETER :: MXFAMLINE = 15\n\nC Common Variables:\n CHARACTER( 4 ) :: CYSPTYP( MAXCYCLES ) ! Type of name for cycle\n CHARACTER( 4 ) :: OUTTYPE ( MAXIRROUT,MAXOUTTERMS ) ! Output term type\n CHARACTER( 4 ) :: OUTOP2 ( MAXIRROUT,MAXOUTTERMS ) ! Output AND/OR keyword\n CHARACTER( 4 ) :: OUTS1TYP( MAXIRROUT,MAXOUTTERMS ) ! Name type for species 1 \n CHARACTER( 4 ) :: OUTS2TYP( MAXIRROUT,MAXOUTTERMS ) ! Name type for species 2\n CHARACTER( 4 ) :: OUTS3TYP( MAXIRROUT,MAXOUTTERMS ) ! Name type for species 3\n\n CHARACTER( 7 ) :: OUTPNFLAG( MAXIRROUT,MAXOUTTERMS ) ! Flag to include\n ! only if sum is + or -\n\n CHARACTER( 16 ) :: FAMNAME ( MAXFAMLYS ) ! Name of Family\n CHARACTER( 16 ) :: RXSUMNAME( MAXRXNSUM ) ! Name assigned to reaction sum\n CHARACTER( 16 ) :: CYCLNAME ( MAXCYCLES ) ! Name assigned to reaction sum\n CHARACTER( 16 ) :: CYCLSPEC ( MAXCYCLES ) ! Species to cycle if so defined\n\n CHARACTER( 16 ) :: FAMMEMNAM( MAXFAMLYS,MAXFAMMEM ) ! Name of family member\n CHARACTER( 16 ) :: RXSUMLBL ( MAXRXNSUM,MAXRXTERMS ) ! Rx no. of terms in sum\n CHARACTER( 16 ) :: CYRXLBL ( MAXCYCLES,MAXCYTERMS ) ! Rx no. of cycle terms\n CHARACTER( 16 ) :: OUTRXLBL ( MAXIRROUT,MAXOUTTERMS ) ! Reaction labels of \n ! terms in command\n CHARACTER( 16 ) :: OUTSPEC1 ( MAXIRROUT,MAXOUTTERMS ) ! Species 1 name for \n ! output operator\n CHARACTER( 16 ) :: OUTSPEC2 ( MAXIRROUT,MAXOUTTERMS ) ! Species 2 name for \n ! output operator\n CHARACTER( 16 ) :: OUTSPEC3 ( MAXIRROUT,MAXOUTTERMS ) ! Species 3 name for \n ! output operator\n CHARACTER( 16 ), SAVE :: IRRNAME_TMP( MAXIRROUT ) ! for IRRNAME\n\n CHARACTER( 28 ) :: TDATOUT ! Output clock time and date\n\n CHARACTER( 60 ), SAVE :: IRRDESC_TMP( MAXIRROUT ) ! for IRRDESC\n\n CHARACTER( 80 ) :: MECLINE( MXRXNS,MXMECHLINE ) ! Compressed reaction lines\n CHARACTER( 80 ) :: FAMLINE( MAXFAMLYS,MXFAMLINE ) ! Compressed family lines\n\n INTEGER :: NFAMLYS ! Number of families pdefined\n INTEGER :: NRXSUMS ! Number of reaction sums defined\n INTEGER :: NCYCLES ! Number of cycles defined\n INTEGER :: NIRROUT ! Number of outputs IRR fields requested\n INTEGER :: FAMNUMLNS ( MAXFAMLYS ) ! Number of lines for family\n INTEGER :: MECNUMLNS ( MXRXNS ) ! Number of lines for reaction\n INTEGER :: NUMFAMMEM ( MAXFAMLYS ) ! Number of members of each family\n INTEGER :: NRXTERMS ( MAXRXNSUM ) ! Number of terms in reaction sum\n INTEGER :: NCYTERMS ( MAXCYCLES ) ! Number of reaction terms in each cycle\n INTEGER :: NIRRTERMS ( MAXIRROUT ) ! Number of terms in each output request\n INTEGER :: NOUTCYCS ( MAXIRROUT ) ! No. of cycles used in output\n INTEGER :: NOUTFAMS ( MAXIRROUT ) ! No. of families used in output\n INTEGER :: NOUTRXSUMS( MAXIRROUT ) ! No. of reaction sums used in output\n INTEGER :: NOUTOPS ( MAXIRROUT ) ! No. of output operators\n INTEGER :: NOUTRXN ( MAXIRROUT ) ! No. of reaction used in output\n INTEGER :: CYSPNUM ( MAXCYCLES ) ! Species or family-name number\n\n INTEGER :: TEMPOUTIND_TMP( MAXTERMS ) ! Init no. of temp IRR terms to add\n INTEGER :: INDXOUTIND_TMP( MAXTERMS ) ! Init IRR output index of temp terms\n INTEGER :: TEMPOUTNEG_TMP( MAXTERMS ) ! Init no. of temp IRR terms to add if neg\n INTEGER :: INDXOUTNEG_TMP( MAXTERMS ) ! Init IRR output index of neg only temp terms\n INTEGER :: TEMPOUTPOS_TMP( MAXTERMS ) ! Init no. of temp IRR terms to add if pos\n INTEGER :: INDXOUTPOS_TMP( MAXTERMS ) ! Init IRR output index of pos only temp terms\n INTEGER :: TEMPTERMS_TMP ( MAXTERMS ) ! Init no of temp IRRs to compute\n INTEGER :: TEMPRXN_TMP ( MAXTERMS,MAXTERMS ) ! Init Rxn nos. for each temp IRR\n\n INTEGER :: FAMSPIDS ( MAXFAMLYS,MAXFAMMEM ) ! Mech spec IDs for fam. mem.\n INTEGER :: RXSUMRN ( MAXRXNSUM,MAXRXTERMS ) ! Rx numbers of rxsum terms \n INTEGER :: CYRXNUM ( MAXCYCLES,MAXCYTERMS ) ! Rx numbers of cycle terms\n INTEGER :: OUTCYCS ( MAXIRROUT,MAXOUTTERMS ) ! Cycle number of output terms\n INTEGER :: OUTFAMS ( MAXIRROUT,MAXOUTTERMS )\n INTEGER :: OUTRXSUMS ( MAXIRROUT,MAXOUTTERMS ) ! Rxsum number of output terms \n INTEGER :: OUTS1NUM ( MAXIRROUT,MAXOUTTERMS ) ! Species/family name number\n INTEGER :: OUTS2NUM ( MAXIRROUT,MAXOUTTERMS ) ! Species/family name number\n INTEGER :: OUTS3NUM ( MAXIRROUT,MAXOUTTERMS ) ! Species/family name number\n INTEGER :: OUTRN ( MAXIRROUT,MAXOUTTERMS ) ! Input IRR Rxn nos.\n INTEGER :: IRRRXN_TMP( MAXIRROUT,MAXTERMS ) ! Initial IRR Rx nos. excluding\n ! CYCLES and RXNSUMS -> IRRRXN\n\n REAL :: COEFOUTIND_TMP( MAXTERMS ) ! Init coefficients for pos or neg init\n REAL :: COEFOUTNEG_TMP( MAXTERMS ) ! Init coefficients for neg init\n REAL :: COEFOUTPOS_TMP( MAXTERMS ) ! Init coefficients for pos init\n\n\n REAL :: FAMSC( MAXFAMLYS,MAXFAMMEM ) ! Coefficients for a family member\n REAL :: RXNSC( MAXRXNSUM,MAXRXTERMS ) ! Coefficients for a sum rxn term\n REAL :: CYSC ( MAXCYCLES,MAXCYTERMS ) ! Coefficients for cycle terms\n REAL :: OUTSC( MAXIRROUT,MAXOUTTERMS ) ! Coefficients for output terms\n REAL :: IRRCOEF_TMP( MAXIRROUT,MAXTERMS ) ! Initial coefficients for IRR Rxns\n REAL :: TEMPCOEF_TMP( MAXTERMS,MAXTERMS ) ! Initial coefficients for temp IRRs\n\n END MODULE PA_VARS\n" }, { "path": "CCTM/src/procan/pa/budget_defn.F", "content": "!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n MODULE BUDGET_DEFN\n\n USE PA_DEFN ! Process Anaylsis control and data variables\n USE GRID_CONF ! horizontal & vertical domain configuration\n USE RUNTIME_VARS\n USE UTILIO_DEFN ! inherits PARUTILIO\n USE CGRID_SPCS, ONLY : CGRID_MASK_GAS, CGRID_MASK_AERO,\n & CGRID_MASK_NUM, CGRID_MASK_SRF, CGRID_MASK_NR, CGRID_MASK_TRAC,\n & CGRID_MW, N_CGRID_SPC, CGRID_NAME, NSPCSD, RHOJ_LOC\n USE VDIFF_MAP, ONLY : N_SPC_DIFF, DIFF_SPC, DIFF_MW,\n & DIFF_MASK_AERO, DIFF_MASK_NUM, DIFF_MASK_SRF\n USE CENTRALIZED_IO_MODULE\n USE XY_BUDGET\n\n\n#ifndef mpas\n#ifdef parallel\n USE SE_MODULES ! stenex (using SE_UTIL_MODULE, SE_DATA_COPY_MODULE)\n#else\n USE NOOP_MODULES ! stenex (using NOOP_UTIL_MODULE, NOOP_DATA_COPY_MODULE)\n#endif\n#endif\n\n INTEGER, PARAMETER :: BDGC0_ID = -1\n INTEGER, PARAMETER :: BDGSAVE_ID = 0\n\n PUBLIC BUDGET_INIT, STORE_BUDGET, STORE_BUDGET_DDEP, \n & WRITE_BUDGET, BDGC0_ID, BUDGETVARIABLES, MAX_BUDGET_VARS_NML\n\n\n INTEGER, SAVE :: BDG_UNIT\n INTEGER, PARAMETER :: BDGCF_ID = -2\n\n REAL, ALLOCATABLE, SAVE :: BDG_PROC( :,: )\n REAL, ALLOCATABLE, SAVE :: BDG_BURDEN( :,: )\n\n INTEGER, SAVE :: BDG_JDATE0, BDG_JTIME0\n INTEGER, SAVE :: BDG_JDATE1, BDG_JTIME1\n \n CHARACTER( 16 ),ALLOCATABLE, SAVE :: BDGSPEC( : )\n INTEGER, ALLOCATABLE, SAVE :: MAP_toCGRID( : )\n INTEGER, ALLOCATABLE, SAVE :: MAP_toBDG( : )\n\n INTEGER, SAVE :: N_BDG_VAR, N_BDG_PAIRS\n\n !CHARACTER( 9 ) :: tab\n CHARACTER( 1 ), SAVE :: tab = ','\n\n CONTAINS\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE BUDGET_INIT( CGRID, JDATE, JTIME, TSTEP )\n\nC-----------------------------------------------------------------------\nC Function: Initialize the budget variables and output file\n \nC Preconditions: None\n \nC Key Subroutines/Functions Called: None\n \nC-----------------------------------------------------------------------\n USE UTIL_FAMILY_MODULE\n#ifdef mpas\n use util_module, only : junit, index1, nextime\n#endif\n \n IMPLICIT NONE \n\n ! Includes:\n INCLUDE SUBST_CONST ! Constants\n \n REAL, POINTER :: CGRID(:,:,:,:)\n INTEGER, INTENT( IN ) :: JDATE, JTIME, TSTEP(3)\n\n\n ! Local Variables:\n REAL, ALLOCATABLE :: CONC( :,:,:,: )\n CHARACTER( 90 ) :: CMAQ_HEADER( 200 )\n INTEGER :: NCMAQ_HEAD\n CHARACTER( 400 ):: XMSG, BDG_FILE\n CHARACTER( 50 ) :: FM\n INTEGER :: ASTAT\n INTEGER :: I, J\n LOGICAL, SAVE :: FIRST_TIME = .TRUE.\n INTEGER :: SDATE, STIME\n\n CHARACTER( 16 ) :: BDGSPEC_TMP( 500 ), BDGVAR\n INTEGER :: MAP_toCGRID_TMP( 1000 )\n INTEGER :: MAP_toBDG_TMP( 1000 )\n INTEGER :: N_BDG_REG\n LOGICAL :: EXPAND_SPEC\n LOGICAL, ALLOCATABLE :: CGRID_VEC( : )\n\n!-----------------------------------------------------------------------\n\n IF ( FIRST_TIME ) THEN\n FIRST_TIME = .FALSE.\n\n ! Initialize Variables\n ALLOCATE( CONC( NCOLS,NROWS,NLAYS,N_CGRID_SPC ),\n & CGRID_VEC( N_CGRID_SPC ), STAT=ASTAT )\n CONC = CGRID\n \n ALLOCATE( BDG_PROC( N_CGRID_SPC,NPRCS ),\n & BDG_BURDEN( N_CGRID_SPC,3),\n & F_WEST_IN( NLAYS,N_CGRID_SPC ),\n & F_WEST_OUT( NLAYS,N_CGRID_SPC ),\n & F_EAST_IN( NLAYS,N_CGRID_SPC ),\n & F_EAST_OUT( NLAYS,N_CGRID_SPC ),\n & F_SOUTH_IN( NLAYS,N_CGRID_SPC ),\n & F_SOUTH_OUT( NLAYS,N_CGRID_SPC ),\n & F_NORTH_IN( NLAYS,N_CGRID_SPC ),\n & F_NORTH_OUT( NLAYS,N_CGRID_SPC ),\n & CSAV( NCOLS,NROWS,NLAYS,N_CGRID_SPC ),\n & STAT=ASTAT )\n BDG_PROC = 0.0\n BDG_JDATE0 = JDATE\n BDG_JTIME0 = JTIME\n F_WEST_IN = 0.0\n F_WEST_OUT = 0.0\n F_EAST_IN = 0.0\n F_EAST_OUT = 0.0\n F_SOUTH_IN = 0.0\n F_SOUTH_OUT = 0.0\n F_NORTH_IN = 0.0\n F_NORTH_OUT = 0.0\n CSAV = CGRID\n \n\n SDATE = JDATE\n STIME = JTIME\n CALL NEXTIME ( SDATE, STIME, TSTEP( 2 ) )\n CALL STORE_BUDGET( BDGC0_ID, CONC, JDATE, JTIME, .FALSE. )\n DEALLOCATE( CONC )\n \n ! Open Output tab-separated file and print header\n IF ( MYPE .EQ. 0 ) THEN\n IF ( BUDGET_FNAME .EQ. 'CCTM_BUDGET' ) THEN\n IF ( OUTDIR .EQ. '' ) THEN\n BDG_FILE = \"CCTM_BUDGET_\" // TRIM(APPL_NAME) // \".txt\"\n ELSE\n BDG_FILE = TRIM(OUTDIR) // \"/CCTM_BUDGET_\" // TRIM(APPL_NAME) // \".txt\"\n END IF\n ELSE\n J = INDEX( BUDGET_FNAME, \".txt\" ) \n IF ( J .NE. 0 ) THEN\n BDG_FILE = BUDGET_FNAME(1:J+3)\n ELSE\n BDG_FILE = TRIM( BUDGET_FNAME ) // \".txt\"\n END IF\n END IF\n BDG_UNIT = JUNIT()\n OPEN( UNIT = BDG_UNIT, FILE = BDG_FILE, STATUS = \"REPLACE\" )\n \n ! Write CMAQ Header\n CALL LOAD_HEADER( CMAQ_HEADER, NCMAQ_HEAD )\n WRITE( BDG_UNIT, '(A)' ), CMAQ_HEADER( 1:NCMAQ_HEAD )\n WRITE( BDG_UNIT, '(A1)' ),'#'\n \n ! Write Execution ID and GridName\n WRITE( BDG_UNIT, '(A1,6x,A,A)' ),'#',\"EXEC_ID: \",TRIM(EXECUTION_ID)\n WRITE( BDG_UNIT, '(A1,6x,A,A)' ),'#',\"GRIDNAME: \",TRIM(GRID_NAME)\n WRITE( BDG_UNIT, '(A1)' ),'#'\n \n WRITE( BDG_UNIT, '(A1,6x,A,A)' ),'#','All date-times are in ',\n & 'YYYY-mm-ddTHH:MM:SSZ format and in UTC time zone.'\n WRITE( BDG_UNIT, '(A1,6x,A)' ),'#','Delta T (time) Units are hours.' \n WRITE( BDG_UNIT, '(A1,6x,A)' ),'#','Gas and Aerosol Mass Units are kg'\n WRITE( BDG_UNIT, '(A1,6x,A)' ),'#','Aerosol Number Units are total N'\n WRITE( BDG_UNIT, '(A1,6x,A)' ),'#','Aerosol Surface Area Units are m2'\n WRITE( BDG_UNIT, '(A1)' ),'#'\n \n ! Write Header\n WRITE( BDG_UNIT, '(55(A))' ), 'SPECIES',tab,'T_START',tab,\n & 'T_FINAL',tab,'T_DELTA',tab,'M_START',tab,'M_FINAL',tab,\n & 'M_DELTA',tab,'WEST_IN',tab,'WEST_OUT',tab,'EAST_IN',tab,\n & 'EAST_OUT',tab,'SOUTH_IN',tab,'SOUTH_OUT',tab,'NORTH_IN',tab,\n & 'NORTH_OUT', \n & ( tab, TRIM(PROCNAME(i)),i=3,NPRCS),tab,'RESID'\n \n END IF\n \n ! Map Budget Variables to CGRID Species\n N_BDG_REG = INDEX1( '', MAX_BUDGET_VARS_NML, BudgetVariables ) - 1\n IF ( N_BDG_REG .LE. 0 ) THEN\n WRITE( LOGDEV, * )\n WRITE( XMSG, '(A,A)' ),\n & 'No Budget Variables have been selected. All Variables',\n & 'will be output to the budget file.'\n CALL LOG_MESSAGE( LOGDEV, XMSG ) \n N_BDG_REG = 1\n BudgetVariables( 1 ) = '*ALL'\n END IF\n\n ! Now Error Check and Expand the CMAQ Species Field\n N_BDG_VAR = 0\n N_BDG_PAIRS = 0\n DO I = 1,N_BDG_REG\n BDGVAR = BudgetVariables( I )\n Expand_Spec = .FALSE.\n IF ( BDGVAR(1:1) .EQ. '*' ) THEN\n Expand_Spec = .TRUE.\n BDGVAR(1:15) = BDGVAR(2:16)\n END IF\n IF ( TRIM(BDGVAR) .EQ. 'ALL' ) THEN\n Expand_Spec = .TRUE.\n END IF\n\n ! Retrieve logical vector, DIFF_VEC, indicating diffused species\n ! relevant for DiagSpec(I)\n CALL MAP_CHEM_FAMILIES( BDGVAR, CGRID_NAME, N_CGRID_SPC, CGRID_VEC )\n \n ! Save Map to translate each pair to diffused species and\n ! diagnostic species\n IF ( EXPAND_SPEC ) THEN \n ! Add a Diagnostic Species for every expanded species\n DO J = 1,N_CGRID_SPC\n IF ( CGRID_VEC( J ) ) THEN\n N_BDG_VAR = N_BDG_VAR + 1\n BDGSPEC_TMP( N_BDG_VAR ) = CGRID_NAME( J )\n \n N_BDG_PAIRS = N_BDG_PAIRS + 1\n MAP_toCGRID_TMP( N_BDG_PAIRS ) = J\n MAP_toBDG_TMP( N_BDG_PAIRS ) = N_BDG_VAR\n END IF\n END DO\n ELSE\n ! Keep only 1 diagnostic species and map all of the diffused\n ! species to it\n IF ( ANY( CGRID_VEC ) ) THEN\n N_BDG_VAR = N_BDG_VAR + 1\n BDGSPEC_TMP( N_BDG_VAR ) = BDGVAR\n END IF\n DO J = 1,N_CGRID_SPC\n IF ( CGRID_VEC( J ) ) THEN\n N_BDG_PAIRS = N_BDG_PAIRS + 1\n MAP_toCGRID_TMP( N_BDG_PAIRS ) = J\n MAP_toBDG_TMP( N_BDG_PAIRS ) = N_BDG_VAR\n END IF\n END DO\n END IF\n END DO\n\n ALLOCATE( MAP_toCGRID( N_BDG_PAIRS ),\n & MAP_toBDG( N_BDG_PAIRS ),\n & BDGSPEC( N_BDG_VAR ) )\n MAP_toCGRID = MAP_toCGRID_TMP( 1:N_BDG_PAIRS )\n MAP_toBDG = MAP_toBDG_TMP( 1:N_BDG_PAIRS )\n BDGSPEC = BDGSPEC_TMP( 1:N_BDG_VAR )\n\n END IF \n\n RETURN\n END SUBROUTINE BUDGET_INIT\n\n!cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n! Store Budget Data\n!cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n SUBROUTINE STORE_BUDGET( IPR_ID, CONC, JDATE, JTIME, LCOUPLE )\n\n USE CENTRALIZED_IO_MODULE, ONLY : MSFX2\n\n IMPLICIT NONE\n\n INCLUDE SUBST_CONST ! Constants\n\n REAL :: CONC( :,:,:,: )\n INTEGER, INTENT( IN ) :: IPR_ID ! Process ID\n INTEGER, INTENT( IN ) :: JDATE, JTIME\n LOGICAL, INTENT( IN ) :: LCOUPLE ! Flag for whther or not to use \n ! rhoj from the CGRID array for \n ! the density calculation for gases\n\n REAL, ALLOCATABLE, SAVE :: BDG_MASS( :,:,:,: )\n REAL, ALLOCATABLE, SAVE :: BDG_MASS_SAVE( :,:,:,: )\n REAL, PARAMETER :: MWAIR_SI = MWAIR / 1.0E+03 ! kg mol-1\n REAL, ALLOCATABLE, SAVE :: DENS( :,:,: ) ! air density (kg m-3)\n REAL, ALLOCATABLE, SAVE :: RHOJ( :,:,: ) ! air density * Jacobian (kg m-3)\n REAL, ALLOCATABLE, SAVE :: JACOBM( :,:,: ) ! Jacobian\n REAL, ALLOCATABLE, SAVE :: ZF( :,:,: ) ! height of layer top\n REAL, ALLOCATABLE, SAVE :: CELLVOL( :,:,: )! cell volume\n REAL :: AERO_NORM\n \n LOGICAL :: FIRST_TIME = .TRUE.\n INTEGER ASTAT\n INTEGER L, I, LAYS, R, C\n\n ! First time through, allocate Budget Concentration conversion\n ! array\n IF ( FIRST_TIME ) THEN\n FIRST_TIME = .FALSE.\n ALLOCATE ( BDG_MASS( NCOLS,NROWS,NLAYS,N_CGRID_SPC ),\n & BDG_MASS_SAVE( NCOLS,NROWS,NLAYS,N_CGRID_SPC ),\n & DENS( NCOLS,NROWS,NLAYS ),\n & RHOJ( NCOLS,NROWS,NLAYS ),\n & JACOBM( NCOLS,NROWS,NLAYS ),\n & ZF( NCOLS,NROWS,NLAYS ),\n & CELLVOL( NCOLS,NROWS,NLAYS ),\n & STAT = ASTAT )\n END IF\n\n ! Retrieve Cell Variables for converting concentrations to burden\n#ifdef mpas\n CELLVOL( :,1,: ) = cell_vol(:,1,:)\n#else\n call interpolate_var ('ZF', jdate, jtime, ZF) ! height of layer top\n CELLVOL( :,:,1 ) = REAL( XCELL_GD * YCELL_GD, 4 ) * ZF( :,:,1 ) / MSFX2(:,:)\n DO L = 2,NLAYS\n CELLVOL( :,:,L ) = REAL( XCELL_GD * YCELL_GD,4) / MSFX2( :,: ) * \n & ( ZF( :,:,L ) - ZF( :,:,L-1) ) ! m3\n END DO\n#endif\n\n ! Calculate Density for Conversion of Gases from ppm to kg. If \n IF ( LCOUPLE ) THEN\n ! If LCOUPLE is true, then the gases are already in mol mol-1 kg m-2, \n ! which are the units of ppm * [air density] * [Jacobian]. In \n ! general, the Jacobian usedin CMAQ includes the map scale \n ! factor squared: JACOBM = J / msfx2\n ! Aerosols are in units of ug m-2\n#ifdef mpas\n JACOBM = 1.0\n#else\n call interpolate_var ('JACOBM', jdate, jtime, JACOBM) ! Jacobian\n#endif\n DENS = 1.0 / MWAIR_SI * 1.0E-6 * 1.0E-3 ! mol kg-1 air\n CELLVOL = CELLVOL / JACOBM ! m2\n AERO_NORM = 1.0\n ELSE\n ! If LCOUPLE is false, then gases are in ppm and aerosols in \n ! ug m-3.\n call interpolate_var ('DENS', jdate, jtime, DENS) ! kg m-3\n DENS = DENS / MWAIR_SI * 1.0E-6 * 1.0E-3 ! umol m-3 air\n AERO_NORM = 1.0E-9\n END IF\n\n ! Convert Process Units to kg (mass), N (number), and m2 (surface\n ! area). Input gases are in ppm, aerosols in ug m-3, number in N\n ! m-3 and surface area in m2 m-3.\n LAYS = NLAYS\n IF ( IPR_ID .EQ. IPR_DDEP ) LAYS = 1\n\n DO I = 1,N_CGRID_SPC\n ! Gas - convert ppm to kg\n IF ( ( CGRID_MASK_GAS( I ) .OR.\n & CGRID_MASK_NR( I ) .OR.\n & CGRID_MASK_TRAC( I ) ) .AND.\n & I .NE. RHOJ_LOC ) THEN\n DO L = 1,LAYS\n DO R = 1,NROWS\n DO C = 1,NCOLS\n BDG_MASS(C,R,L,I) = CONC(C,R,L,I) * DENS(C,R,L) \n & * CGRID_MW(I) * CELLVOL(C,R,L)\n END DO\n END DO\n END DO\n END IF\n\n ! Aerosol Mass: ug m-3 -> kg\n IF ( CGRID_MASK_AERO( I ) .AND.\n & .NOT. CGRID_MASK_NUM( I ) .AND.\n & .NOT. CGRID_MASK_SRF( I ) ) THEN\n DO L = 1,LAYS\n DO R = 1,NROWS\n DO C = 1,NCOLS\n BDG_MASS(C,R,L,I) = CONC(C,R,L,I) * AERO_NORM\n & * CELLVOL(C,R,L) \n END DO\n END DO\n END DO\n END IF\n\n ! Aerosol Number: N m-3 -> N \n ! Aerosol Surface Area: m2 m-3 -> m2 \n IF ( CGRID_MASK_NUM( I ) ) THEN\n DO L = 1,LAYS\n BDG_MASS(:,:,L,I) = CONC(:,:,L,I) * CELLVOL(:,:,L) \n END DO\n END IF\n IF ( CGRID_MASK_SRF( I ) ) THEN\n DO L = 1,LAYS\n BDG_MASS(:,:,L,I) = CONC(:,:,L,I) * CELLVOL(:,:,L) \n END DO\n END IF\n \n END DO\n\n ! Sum and Store Process Change \n IF ( IPR_ID .EQ. BDGC0_ID ) THEN\n BDG_BURDEN( :,1 ) = SUM( SUM( SUM( BDG_MASS(:,:,:,:),1 ),1 ),1 ) \n BDG_MASS_SAVE = BDG_MASS\n ELSE IF ( IPR_ID .EQ. BDGCF_ID ) THEN\n BDG_BURDEN( :,2 ) = SUM( SUM( SUM( BDG_MASS(:,:,:,:),1 ),1 ),1 ) \n ELSE IF ( IPR_ID .EQ. IPR_DDEP ) THEN\n BDG_PROC( :,IPR_ID ) = BDG_PROC( :,IPR_ID ) + SUM( SUM( BDG_MASS(:,:,1,:),1 ),1 )\n ELSE IF ( IPR_ID .EQ. IPR_EMIS .OR. IPR_ID .EQ. IPR_XADV .OR. \n & IPR_ID .EQ. IPR_YADV .OR. IPR_ID .EQ. IPR_COAG .OR.\n & IPR_ID .EQ. IPR_COND .OR. IPR_ID .EQ. IPR_NPF .OR.\n & IPR_ID .EQ. IPR_GROW ) THEN\n BDG_PROC( :,IPR_ID ) = BDG_PROC( :,IPR_ID ) \n & +SUM( SUM( SUM( BDG_MASS(:,:,:,:),1 ),1 ),1 )\n ELSE IF ( IPR_ID .EQ. BDGSAVE_ID ) THEN\n ! Just Save the Burden\n BDG_MASS_SAVE = BDG_MASS\n ELSE\n BDG_PROC( :,IPR_ID ) = BDG_PROC( :,IPR_ID ) \n & + SUM( SUM( SUM( BDG_MASS - BDG_MASS_SAVE,1 ),1 ),1 )\n BDG_MASS_SAVE = BDG_MASS\n END IF\n\n RETURN\n END SUBROUTINE STORE_BUDGET\n \nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Write Budget Output to CSV File\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n SUBROUTINE WRITE_BUDGET( CONC, JDATE, JTIME, TSTEP )\n\n#ifdef mpas\n use util_module, only : daymon\n#endif\n\n IMPLICIT NONE\n\n INTEGER I, J\n INTEGER, INTENT( IN ) :: JDATE, JTIME, TSTEP(3)\n REAL :: CONC( :,:,:,: )\n REAL,ALLOCATABLE,SAVE :: RESID( : ), RESID_F(:)\n LOGICAL, SAVE :: FIRST_TIME = .TRUE.\n\n REAL DT\n INTEGER DTHR, DTMIN, DTSEC\n INTEGER BDG_YEAR0, BDG_MONTH0, BDG_DAY0, BDG_YYYYMMDD0\n INTEGER BDG_YEAR1, BDG_MONTH1, BDG_DAY1, BDG_YYYYMMDD1\n INTEGER BDG_HOUR0, BDG_MIN0, BDG_SEC0\n INTEGER BDG_HOUR1, BDG_MIN1, BDG_SEC1\n CHARACTER(20) :: BDG_TIME0, BDG_TIME1\n\n REAL, ALLOCATABLE, SAVE :: BDG_BURDEN_OUT(:,:), BDG_PROC_OUT(:,:),\n & ADV_FLUXES_OUT(:,:), ADV_FLUXES(:,:)\n REAL :: TMP, TMP2\n\n IF ( FIRST_TIME ) THEN\n FIRST_TIME = .FALSE.\n ALLOCATE ( RESID( N_CGRID_SPC ), RESID_F( N_BDG_VAR ),\n & BDG_BURDEN_OUT( N_BDG_VAR,3 ),\n & BDG_PROC_OUT( N_BDG_VAR,NPRCS ),\n & ADV_FLUXES( N_CGRID_SPC,8 ), \n & ADV_FLUXES_OUT( N_BDG_VAR,8 ) )\n END IF\n\n\n CALL STORE_BUDGET( BDGCF_ID, CONC, JDATE, JTIME, .FALSE. )\n CSAV = CONC\n\n ! Correct VDIFF by subtracting emissions and dry deposition\n BDG_PROC( :,IPR_VDIF ) = BDG_PROC( :,IPR_VDIF ) - BDG_PROC( :,IPR_EMIS ) - BDG_PROC( :,IPR_DDEP )\n \n ! Calculate total mass change across output time step\n BDG_BURDEN( :,3 ) = BDG_BURDEN( :,2 ) - BDG_BURDEN( :,1 )\n\n ! Convert units for vapor ADV_FLUXES from 10^-6 mol to kg\n ! Units for aerosol mass should already be kg\n ! Units for aerosol number and surface area should already be N and m2\n ADV_FLUXES( :,1 ) = SUM( F_WEST_IN, 1 )\n ADV_FLUXES( :,2 ) = -1.0 * SUM( F_WEST_OUT, 1 )\n ADV_FLUXES( :,3 ) = SUM( F_EAST_IN, 1 )\n ADV_FLUXES( :,4 ) = -1.0 * SUM( F_EAST_OUT, 1 )\n ADV_FLUXES( :,5 ) = SUM( F_SOUTH_IN, 1 )\n ADV_FLUXES( :,6 ) = -1.0 * SUM( F_SOUTH_OUT, 1 )\n ADV_FLUXES( :,7 ) = SUM( F_NORTH_IN, 1 )\n ADV_FLUXES( :,8 ) = -1.0 * SUM( F_NORTH_OUT, 1 )\n DO I = 1,N_CGRID_SPC\n IF ( .NOT.CGRID_MASK_AERO( I ) ) \n & ADV_FLUXES( I,: ) = ADV_FLUXES( I,: ) * 1.0E-9 * CGRID_MW( I ) \n END DO\n\n ! Calculate Date, Time, and Length of Time Interval\n BDG_JDATE1 = JDATE\n BDG_JTIME1 = JTIME\n DTHR = TSTEP(1)/10000\n DTMIN = ( TSTEP(1) - DTHR*10000 ) / 100\n DTSEC = TSTEP(1) - DTHR*10000 - DTMIN*100\n DT = REAL( DTHR,4) + REAL( DTMIN,4 )/60.0 + REAL( DTSEC,4 )/3600.0\n \n ! Format Beginning and Ending Date-Times\n IF ( MYPE .EQ. 0 ) THEN\n BDG_YEAR0 = BDG_JDATE0 / 1000\n BDG_YEAR1 = BDG_JDATE1 / 1000\n CALL DAYMON( BDG_JDATE0, BDG_MONTH0, BDG_DAY0 )\n CALL DAYMON( BDG_JDATE1, BDG_MONTH1, BDG_DAY1 )\n BDG_YYYYMMDD0 = BDG_YEAR0*10000 + BDG_MONTH0*100 + BDG_DAY0\n BDG_YYYYMMDD1 = BDG_YEAR1*10000 + BDG_MONTH1*100 + BDG_DAY1\n BDG_HOUR0 = BDG_JTIME0 / 10000\n BDG_HOUR1 = BDG_JTIME1 / 10000\n BDG_MIN0 = ( BDG_JTIME0 - BDG_HOUR0*10000 ) / 100\n BDG_MIN1 = ( BDG_JTIME1 - BDG_HOUR1*10000 ) / 100\n BDG_SEC0 = BDG_JTIME0 - BDG_HOUR0*10000 - BDG_MIN0*100\n BDG_SEC1 = BDG_JTIME1 - BDG_HOUR1*10000 - BDG_MIN1*100\n \n WRITE( BDG_TIME0, '(I4,A1,I2.2,A1,I2.2,A1,I2.2,A1,I2.2,A1,I2.2,A1)' ), \n & BDG_YEAR0,'-',BDG_MONTH0,'-',BDG_DAY0,'T',BDG_HOUR0,':',\n & BDG_MIN0,':',BDG_SEC0,'Z'\n WRITE( BDG_TIME1, '(I4,A1,I2.2,A1,I2.2,A1,I2.2,A1,I2.2,A1,I2.2,A1)' ), \n & BDG_YEAR1,'-',BDG_MONTH1,'-',BDG_DAY1,'T',BDG_HOUR1,':',\n & BDG_MIN1,':',BDG_SEC1,'Z'\n END IF\n \n ! Map CGRID Species to Budget Output Species\n BDG_PROC_OUT = 0.0\n BDG_BURDEN_OUT = 0.0\n ADV_FLUXES_OUT = 0.0\n DO I = 1,N_BDG_PAIRS\n BDG_PROC_OUT( MAP_toBDG( I ),: ) = BDG_PROC_OUT( MAP_toBDG( I ),: ) \n & + BDG_PROC( MAP_toCGRID( I ),: )\n BDG_BURDEN_OUT( MAP_toBDG( I ),: ) = BDG_BURDEN_OUT( MAP_toBDG( I ),: ) \n & + BDG_BURDEN( MAP_toCGRID( I ),: )\n ADV_FLUXES_OUT( MAP_toBDG( I ),: ) = ADV_FLUXES_OUT( MAP_toBDG( I ),: ) \n & + ADV_FLUXES( MAP_toCGRID( I ),: )\n END DO\n\n#ifndef mpas\n#ifdef parallel\n ! Sum Changes Across All Processors\n DO J = 1,3\n DO I = 1,N_BDG_VAR\n BDG_BURDEN_OUT(I,J) = SUBST_GLOBAL_SUM( BDG_BURDEN_OUT(I,J) )\n END DO \n END DO\n DO J = 1,NPRCS\n DO I = 1,N_BDG_VAR\n BDG_PROC_OUT(I,J) = SUBST_GLOBAL_SUM( BDG_PROC_OUT(I,J) )\n END DO\n END DO\n DO J = 1,8\n DO I = 1,N_BDG_VAR\n ADV_FLUXES_OUT(I,J) = SUBST_GLOBAL_SUM( ADV_FLUXES_OUT(I,J) )\n END DO\n END DO\n#endif\n#endif\n\n IF ( MYPE .EQ. 0 ) THEN\n ! Positive Residual means sum of processes is greater \n ! than net change in mass\n ! RESID_F(:) = SUM( BDG_PROC_OUT(:,1:NPRCS),2 ) \n !& - BDG_BURDEN_OUT( :,3 ) \n RESID_F(:) = SUM( BDG_PROC_OUT(:,3:NPRCS),2 ) + SUM( ADV_FLUXES_OUT,2)\n & - BDG_BURDEN_OUT( :,3 ) ! Use Adv Fluxes instead of total XADV and YADV\n\n ! Write Species Process Changes to tab-separated file\n DO I = 1,N_BDG_VAR\n ! Default\n WRITE( BDG_UNIT,'(3(A,A),F7.3,A,24(E15.8,A) )' ),TRIM(BDGSPEC(I)),tab, \n & BDG_TIME0,tab,BDG_TIME1,tab, DT,tab, (BDG_BURDEN_OUT(I,J),tab,J=1,3 ),\n & ( ADV_FLUXES_OUT(I,J),tab,J=1,8 ),\n & ( BDG_PROC_OUT(I,J),tab,J=3,NPRCS ), RESID_F(I)\n\n ! Debugging\n! WRITE( BDG_UNIT,'(3(A,A),F7.3,A,21(E11.4,A) )' ),TRIM(BDGSPEC(I)),tab, \n! & BDG_TIME0,tab,BDG_TIME1,tab, DT,tab, (BDG_BURDEN_OUT(I,J),tab,J=1,3 ),\n! & SUM( ADV_FLUXES_OUT(I,1:4)),tab, SUM( ADV_FLUXES_OUT(I,5:8)),tab,\n! & ( BDG_PROC_OUT(I,J),tab,J=1,NPRCS ), RESID_F(I), tab, RESID(I)\n END DO\n END IF\n\n ! Assign Initial Concentration\n ! and zero Out all Rates, etc\n BDG_PROC = 0.0\n BDG_BURDEN( :,1 ) = BDG_BURDEN( :,2 )\n BDG_BURDEN( :,2 ) = 0\n BDG_BURDEN( :,3 ) = 0\n\n BDG_JDATE0 = BDG_JDATE1\n BDG_JTIME0 = BDG_JTIME1\n\n F_WEST_IN = 0\n F_WEST_OUT = 0\n F_EAST_IN = 0\n F_EAST_OUT = 0\n F_SOUTH_IN = 0\n F_SOUTH_OUT = 0\n F_NORTH_IN = 0\n F_NORTH_OUT = 0\n\n RETURN\n\n END SUBROUTINE WRITE_BUDGET\n \n END MODULE BUDGET_DEFN\n" }, { "path": "CCTM/src/procan/pa/pa_compmech.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE PA_COMPMECH\n\nC-----------------------------------------------------------------------\nC Function: To produce a compressed mechanism structure for the PA\nC output listing program\n \nC Preconditions: None\n \nC Key Subroutines/Functions Called: None\n \nC Revision History:\nC Prototype created by Jerry Gipson, August, 1996\nC Modified May, 1997 by Jerry Gipson to be consistent with beta CTM\nC Modified Dec. 7, 2000 by Jerry Gipson to correct problem in getting\nC character length of a species name used in the compressed mechanism\nC Modified May 2002 by Jerry Gipson to increase number of reaction lines\nC (for saprc99)\nC Aug 2011 Jeff Young: Replaced I/O API include files with IOAPI's M3UTILIO\nC Jul 2016 Jeff Young: Inline Function TRIMCOEF; fix bug if 5 dec. pt. coeff\nC Sep 2018 C. Nolte, S. Roselle: replace M3UTILIO with UTILIO_DEFN\nC-----------------------------------------------------------------------\n\n USE UTILIO_DEFN \n USE PA_GLOBAL ! Mech data used \n USE PA_VARS\n USE PA_PARSE\n\n IMPLICIT NONE\n \nC Includes: None\nC Arguments: None\nC Parameters: None\nC External Functions: None\n\nC Local Variables:\n CHARACTER( 72 ) :: LINOUT ! line of mechanism text\n CHARACTER( 10 ) :: COUT ! Coefficient in character representation\n CHARACTER( 1 ) :: SIGNC ! Sign character\n CHARACTER( 16 ) :: SPCNAM ! Species name\n CHARACTER( LABLEN ) :: TEMPSTR ! Temporary holder of right-justified label\n\n INTEGER COUTLEN ! Length of character based coefficient\n INTEGER ENDPOS ! Ending position on line for next product\n INTEGER EQPOS ! Position of equals sign\n INTEGER EXPOS ! Exclamation point position \n INTEGER IE1, IE2 ! Ending position of characters in a string\n INTEGER IEND ! Position of last non-blank character in LINOUT\n INTEGER INDX ! Index for species name\n INTEGER IS1, IS2 ! Starting position of characters in a string\n INTEGER ISTAR ! Counter for sign\n INTEGER LEN1 ! Actual label length\n INTEGER :: LINLEN = 72 ! Max length of line of mechanism text\n INTEGER MAXLEN ! Max length of a label on output\n INTEGER NRX ! Loop index for reactions\n INTEGER N ! Loop index\n INTEGER NFAM ! Loop index for familys \n INTEGER OUTLEN ! Number of characters in output string\n\n REAL SPCOEF ! Single Precision coefficient\n\nC-----------------------------------------------------------------------\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Find the longest reaction label length and trim to six characters\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n MAXLEN = 0\n DO NRX = 1, NRXNS\n MAXLEN = MAX( MAXLEN, LEN_TRIM( RXLABEL( NRX ) ) )\n END DO\n IF ( MAXLEN .GT. 6 ) MAXLEN = 6\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Set the compressed mechanism list for each reaction\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n DO 100 NRX = 1, NRXNS\n\nc..First get the reaction label right justified\n !123456789012345678901234 \n LINOUT = ' & IRR<'\n IEND = LEN_TRIM( LINOUT )\n DO N = 1, LABLEN\n TEMPSTR( N:N ) = ' '\n END DO\n IS1 = LBLANK( RXLABEL( NRX ) ) + 1\n IE1 = LEN_TRIM( RXLABEL( NRX ) )\n LEN1 = IE1 - IS1 + 1\n LEN1 = MIN( MAXLEN, LEN1 )\n IE1 = IS1 + LEN1 - 1\n IE2 = LABLEN\n IS2 = LABLEN - LEN1 + 1\n TEMPSTR( IS2:IE2 ) = RXLABEL( NRX )( IS1:IE1 ) \n IS2 = LABLEN - MAXLEN + 1 \n LINOUT = LINOUT( 1 : IEND ) // TEMPSTR( IS2:IE2 ) // '> !'\n IEND = LEN_TRIM( LINOUT ) + 1\n EXPOS = IEND - 1\n \nc..List reactants\n DO N = 1, NREACT( NRX )\n INDX = IRR( NRX, N )\n SPCNAM = CHEMISTRY_SPC( INDX )\n OUTLEN = MIN( 6, LEN_TRIM( SPCNAM ) )\n IF ( N .EQ. 1 ) THEN\n LINOUT = LINOUT( 1:IEND ) // SPCNAM( 1:OUTLEN )\n ELSE\n LINOUT = LINOUT( 1:IEND ) // '+' // \n & SPCNAM( 1:OUTLEN )\n END IF\n IEND = LEN_TRIM( LINOUT )\n END DO\n\nc..Add hv, H2O, M, N2 or O2\n IF ( BTEST( IRXBITS( NRX ), 1 ) ) THEN\n LINOUT = LINOUT( 1:IEND ) // '+hv'\n IEND = LEN_TRIM( LINOUT )\n END IF\n IF ( BTEST( IRXBITS( NRX ), 2 ) ) THEN\n LINOUT = LINOUT( 1:IEND ) // '+M'\n IEND = LEN_TRIM( LINOUT )\n END IF\n IF ( BTEST( IRXBITS( NRX ), 3 ) ) THEN\n LINOUT = LINOUT( 1:IEND ) // '+H2O'\n IEND = LEN_TRIM( LINOUT )\n END IF\n IF ( BTEST( IRXBITS( NRX ), 4 ) ) THEN\n LINOUT = LINOUT( 1:IEND ) // '+O2'\n IEND = LEN_TRIM( LINOUT )\n END IF\n IF ( BTEST( IRXBITS( NRX ), 5 ) ) THEN\n LINOUT = LINOUT( 1:IEND ) // '+N2'\n IEND = LEN_TRIM( LINOUT )\n END IF\n EQPOS = IEND + 1 \n LINOUT = LINOUT( 1:IEND ) // '='\n IEND = IEND + 1 \n\nc..List products\n LINNUM = 1\n DO N = 1, NPRDCT( NRX )\n INDX = IRR( NRX,N + 3 )\n SPCNAM = CHEMISTRY_SPC( INDX )\n OUTLEN = MIN( 6, LEN_TRIM( SPCNAM ) )\n SPCOEF = SC( NRX,N )\n IF ( SPCOEF .NE. 1.0 ) THEN\n COUT = TRIMCOEF( SPCOEF )\n COUTLEN = LEN_TRIM( COUT )\n ISTAR = 1\n ELSE\n COUTLEN = 0\n ISTAR = 0\n END IF \n ENDPOS = IEND + 1 + COUTLEN + OUTLEN\n IF ( ENDPOS .GT. LINLEN ) THEN\n MECLINE( NRX,LINNUM ) = LINOUT\n LINNUM = LINNUM + 1\n IF ( LINNUM .GT. MXMECHLINE ) THEN\n WRITE( MSG, 94000 )\n CALL M3MESG( MSG )\n CALL M3EXIT( 'MECHCOMP', IZERO, IZERO, ' ', XSTAT2 )\n END IF\n LINOUT = ''\n LINOUT( 1:1 ) = ' '\n LINOUT( EXPOS:EXPOS ) = '!'\n IEND = EXPOS + 6\n END IF\n IF ( SPCOEF .LT. 0.0 ) THEN\n SIGNC = '-'\n ELSE\n SIGNC = '+'\n END IF\n IF ( N .NE. 1 .OR. SIGNC .EQ. '-' ) THEN\n LINOUT = LINOUT( 1:IEND ) // SIGNC\n IEND = IEND + 1\n END IF\n IF ( SPCOEF .EQ. 1.0 ) THEN\n LINOUT = LINOUT( 1:IEND ) // SPCNAM( 1:OUTLEN )\n ELSE\n LINOUT = LINOUT( 1:IEND ) // COUT( 1:COUTLEN ) //\n & '*' // SPCNAM( 1:OUTLEN )\n END IF\n IEND = LEN_TRIM( LINOUT )\n END DO \n MECLINE( NRX, LINNUM ) = LINOUT \n MECNUMLNS( NRX ) = LINNUM \n100 CONTINUE \n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Now get a compressed list of Family definitions\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n DO 200 NFAM = 1, NFAMLYS\n IEND = LEN_TRIM( FAMNAME( NFAM ) )\n LINOUT = ' ' // FAMNAME( NFAM )( 1:IEND ) // '='\n IEND = LEN_TRIM( LINOUT )\n EQPOS = IEND\n LINNUM = 1\n DO N = 1, NUMFAMMEM( NFAM )\n SPCNAM = FAMMEMNAM( NFAM, N )\n OUTLEN = MIN( 6, LEN_TRIM( SPCNAM ) )\n IF ( FAMSC( NFAM, N ) .NE. 1.0 ) THEN\n COUT = TRIMCOEF( FAMSC( NFAM, N ) ) \n COUTLEN = LEN_TRIM( COUT )\n ISTAR = 1\n ELSE\n COUTLEN = 0\n ISTAR = 0\n END IF \n ENDPOS = IEND + 1 + COUTLEN + OUTLEN\n IF ( ENDPOS .GT. LINLEN ) THEN\n FAMLINE( NFAM, LINNUM ) = LINOUT\n LINNUM = LINNUM + 1\n IF ( LINNUM .GT. MXFAMLINE ) THEN\n WRITE( MSG, 94020 )\n CALL M3MESG( MSG )\n CALL M3EXIT( 'MECHCOMP', IZERO, IZERO, ' ', XSTAT2 )\n END IF\n LINOUT = ''\n LINOUT( 1:1 ) = ' '\n IEND = EQPOS\n END IF\n IF ( FAMSC( NFAM, N ) .LT. 0.0 ) THEN\n SIGNC = '-'\n ELSE\n SIGNC = '+'\n END IF\n IF ( N .NE. 1 .OR. SIGNC .EQ. '-' ) THEN\n LINOUT = LINOUT( 1:IEND ) // SIGNC\n IEND = IEND + 1\n END IF\n IF ( FAMSC( NFAM, N ) .EQ. 1.0 ) THEN\n LINOUT = LINOUT( 1:IEND ) // SPCNAM( 1:OUTLEN )\n ELSE\n LINOUT = LINOUT( 1:IEND ) // COUT( 1:COUTLEN ) //\n & '*' // SPCNAM( 1:OUTLEN )\n END IF\n IEND = LEN_TRIM( LINOUT )\n END DO \n FAMLINE( NFAM, LINNUM ) = LINOUT \n FAMNUMLNS( NFAM ) = LINNUM \n200 CONTINUE\n\nC----------------------- FORMAT Statements -----------------------------\n94000 FORMAT( 'ERROR: Maximum number of lines for compressed',\n & ' mechanism exceeded' )\n94020 FORMAT( 'ERROR: Maximum number of lines for compressed',\n & ' family definition exceeded' )\nC-----------------------------------------------------------------------\n\n RETURN\n\n CONTAINS\n\n FUNCTION TRIMCOEF( COEFF ) RESULT( CHRCOEF )\n\nC-----------------------------------------------------------------------\nC Function: Convert a real number to character representation using\nC the fewest number of characters \nC-----------------------------------------------------------------------\n \n IMPLICIT NONE\n \nC Arguments:\n REAL COEFF ! Real number to convert\n CHARACTER( 10 ) :: CHRCOEF ! Character coefficient holder\n\nC Local Variables:\n INTEGER COEFLEN ! Max number of characters in coefficient\n INTEGER ENDPOS ! Position of last significant haracter\n INTEGER SPOS ! Position of first significant character\n INTEGER OFFSET ! Justification offset\n INTEGER POS ! Loop index for string position\n\nC-----------------------------------------------------------------------\n\n WRITE( CHRCOEF, '( F10.5 )' ) COEFF\n COEFLEN = 10\n\nc..Strip Trailing zeroes\n ENDPOS = COEFLEN\n DO POS = COEFLEN, 6, -1\n IF ( CHRCOEF( POS:POS ) .EQ. '0' ) THEN\n ENDPOS = POS\n CHRCOEF( POS:POS ) = ' '\n ELSE\n GO TO 40\n END IF\n END DO\n40 CONTINUE\n\nc..Strip decimal point if not needed\n IF ( ENDPOS .EQ. 6 ) THEN \n CHRCOEF( 5:5 ) = ' '\n ENDPOS = ENDPOS - 1\n END IF\n\nc..Strip leading any leading signs\n DO POS = 1, 3\n IF ( CHRCOEF( POS:POS ) .EQ. '+' .OR. \n & CHRCOEF( POS:POS ) .EQ. '-' ) THEN\n CHRCOEF( POS:POS ) = ' '\n GO TO 80\n END IF\n END DO\n80 CONTINUE\n \nc..Strip any leading zeros \n IF ( ABS( COEFF ) .GT. 0.0 .AND. COEFF .LT. 1.0 ) THEN\n DO POS = 4, 1, -1\n IF ( CHRCOEF( POS:POS ) .EQ. '0' )\n & CHRCOEF( POS:POS ) = ' '\n END DO\n END IF\n\nc..Left justify character string and return\n DO POS = 1, COEFLEN\n IF ( CHRCOEF( POS:POS ) .NE. ' ' ) THEN\n SPOS = POS\n GO TO 120\n END IF\n END DO\n120 CONTINUE\n\n OFFSET = SPOS - 1\n\n DO POS = 1, COEFLEN\n IF ( POS + OFFSET .LE. ENDPOS ) THEN\n CHRCOEF( POS:POS ) = CHRCOEF( POS+OFFSET:POS+OFFSET )\n ELSE\n CHRCOEF( POS:POS ) = ' '\n END IF\n END DO\n\n RETURN\n END FUNCTION TRIMCOEF\n\n END SUBROUTINE PA_COMPMECH\n" }, { "path": "CCTM/src/procan/pa/pa_datagen.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE PA_DATAGEN( )\n \nC----------------------------------------------------------------------\nC Function: Create the Process Analysis control data\n \nC Preconditions: None\n \nC Key Subroutines/Functions Called:\n \nC Revision History:\nC 27 Jul 16 J.Young: inline PA ctl program\nC----------------------------------------------------------------------\n\n USE RUNTIME_VARS\n USE UTILIO_DEFN\n USE PA_VARS, Only: NFAMLYS, NRXSUMS, NCYCLES, NIRROUT\n USE PA_DEFN ! Process Anaylsis control and data variables\n USE PAGRD_DEFN, ONLY : PAGRD_INIT\n\n IMPLICIT NONE \n\nC..Includes: None\nC..Arguments: None\nC..Parameters: None\nC..External Functions: None\nC..Local Variables: None\n CHARACTER( 16 ) :: PNAME = 'PA_DATAGEN'\n \n CHARACTER( 240 ) :: XMSG = ' '\n\n INTEGER :: JDATE, JTIME\n INTEGER :: ESTAT ! status from environment var check\n \nC----------------------------------------------------------------------\n\n!...Get flag to use process analysis\n WRITE( LOGDEV, * )\n CALL LOG_HEADING( LOGDEV, 'INITIALIZE PROCESS ANALYSIS' )\n\n\n JDATE = 0; JTIME = 0\n IF ( PROCAN ) THEN\n XMSG = TRIM( PNAME ) // ': Process Analysis is activated'\n CALL M3MESG( XMSG )\n ELSE\n XMSG = TRIM( PNAME ) // ': Process Analysis is not activated'\n CALL M3MESG( XMSG )\n RETURN\n END IF\n \n CALL PA_READ\n CALL PA_ERRCHECK\n CALL PA_SETUP_IPR\n CALL PA_SETUP_IRR\n CALL PA_COMPMECH\n! CALL PA_WRTPADEFN\n IF ( MYPE .EQ. 0 ) CALL PA_REPORT\n CALL M3MESG( 'End of initial Process Analysis Control data generation' )\n CALL M3MESG( ' ' )\n\n NFAMLYS = 0\n NRXSUMS = 0\n NCYCLES = 0\n NIRROUT = 0\n \n! Set up horizontal domain and calculate processor-to-subdomain maps for\n! process analysis, if required\n IF ( LIPR .OR. LIRR ) THEN\n IF ( .NOT. PAGRD_INIT( MYPE ) ) THEN\n XMSG = '*** Failure defining PA domain configuration'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END IF\n \n RETURN\n END SUBROUTINE PA_DATAGEN\n" }, { "path": "CCTM/src/procan/pa/pa_errcheck.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC-----------------------------------------------------------------------\n SUBROUTINE PA_ERRCHECK\n\nC-----------------------------------------------------------------------\nC Function: To check the Process Analysis inputs for errors\n \nC Preconditions: None\n \nC Key Subroutines/Functions Called: None\n \nC Revision History:\nC Prototype created by Jerry Gipson, August, 1996\nC Modified by Jerry Gipson April, 1997 to add ADJC process and to add\nC species = all for IPR outputs\nC Modified May, 1997 by Jerry Gipson to be consistent with beta CTM\nC Modified Dec. 1, 1998 to correct operator name check problem\nC Modified Apr 11, 2000 to account for AE species w/ surface area units\nC J.Young: fix LCHEMFAM array index bug, fix N_IPR_SPC value for no ipr,\nC fix blank in 'Air density' species name (found by Michael Bane in UK)\nC Aug 2011 Jeff Young: Replaced I/O API include files with IOAPI`s M3UTILIO\nC Jul 2016 Jeff Young: modify for model inline\nC Sep 2018 C. Nolte, S. Roselle: replace M3UTILIO with UTILIO_DEFN\nC-----------------------------------------------------------------------\n\n USE UTILIO_DEFN \n USE PA_GLOBAL ! Mech and Grid data used \n USE CGRID_SPCS, Only: N_CGRID_SPC, CGRID_NAME\n USE PA_IPRVARS\n USE PA_VARS\n USE PA_PARSE\n USE PA_DEFN\n\n IMPLICIT NONE\n \nC Includes: None\n \nC Arguments: None\n \nC Parameters: None\n\nC External Functions: None\n\nC Local Variables\n CHARACTER( 4 ) :: TYPE ! Operator type\n CHARACTER( 7 ) :: PNFLAG ! Initialization flag\n CHARACTER( 16 ) :: FAM_UNITS ! Units for first species in a family\n CHARACTER( 16 ) :: VALNAME( MAXDEFNAMES ) ! Vector of valid defined names\n CHARACTER( 16 ) :: SP_UNITS( MAXFAMMEM ) ! Units for each species\n\n LOGICAL LDIFF ! Flag for difference found\n LOGICAL LERROR ! Flag for an error found\n LOGICAL LFOUND ! Flag for a name found\n LOGICAL LFIRST ! Flag for first time\n LOGICAL :: LERREND = .FALSE. ! Flag to stop processing because of errors\n LOGICAL :: LCHEMFAM( 0:MAXFAMLYS ) ! Flag for gas-chem species family\n LOGICAL LRXINC( MXRXNS ) ! Flag for rxns included in cycles\n LOGICAL LCYUSED( MAXCYCLES ) ! Flag to indicate cycle referenced\n LOGICAL LRXUSED( MAXRXNSUM ) ! Flag to indicate rxnsum referenced\n \n INTEGER CINDX ! Current index for IPR arrays\n INTEGER HINDX ! Index for rearranging IPR arrays\n INTEGER INDX ! Index returned from function INDEX1\n INTEGER JNDX ! Index returned from function INDEX1\n INTEGER IRRIND ! Index for IRR reaction number\n INTEGER LINDX ! Index for rearranging IPR arrays\n INTEGER N ! Loop index for specis and defined names\n INTEGER NCYC ! Loop index for number of cycles\n INTEGER NEWNPASP ! Number of IPR species after ALL species option\n INTEGER NFAM ! Loop index for number of families\n INTEGER NMEM ! Loop index for number of family members\n INTEGER NOP ! Loop index for number of IPR operators\n INTEGER NOPS ! Number of IPR_OUTPUT operators\n INTEGER NOUT ! Loop index for number of output requests\n INTEGER NR ! No. of Rxns found by getrxns\n INTEGER NRX ! Loop index for reactions\n INTEGER NRXS ! Loop index for number of reaction sums\n INTEGER NTERM ! Loop index for number of terms\n INTEGER NUMRXNS ! No. of IRR reactions\n INTEGER NVALID ! Number of valid defined names\n INTEGER OFFSET ! Offset use to compute IPR output index\n INTEGER PAINDX ! Index for IPR outputs\n INTEGER :: RXNUMS( MXRXNS ) ! Rxn nos. of Rxns found bt getrxns\n INTEGER ASTAT ! Memory\n\n REAL :: COEFFS( MXRXNS ) ! Coefficient found with getrxns\n \nC-----------------------------------------------------------------------\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Write log header message\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n WRITE( MSG, 93000 )\n CALL M3MESG( MSG )\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Check that all family names are valid\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n LERROR = .FALSE.\n NVALID = 0\n INDX = 0\n LCHEMFAM( 0 ) = .FALSE.\n DO 40 NFAM = 1, NFAMLYS\n INDX = INDEX1( FAMNAME( NFAM ), N_CGRID_SPC, CGRID_NAME )\n IF ( INDX .NE. 0 ) THEN\n WRITE( MSG, 94000 ) NFAM, FAMNAME( NFAM )\n CALL M3MESG( MSG )\n LERROR = .TRUE.\n END IF\n\n INDX = INDEX1( FAMNAME( NFAM ), NVALID, VALNAME )\n IF ( INDX .NE. 0 ) THEN\n WRITE( MSG, 94020 ) NFAM, FAMNAME( NFAM )\n CALL M3MESG( MSG )\n LERROR = .TRUE.\n END IF\n\n LCHEMFAM( NFAM ) = .TRUE.\n DO NMEM = 1, NUMFAMMEM( NFAM )\n INDX = INDEX1( FAMMEMNAM( NFAM,NMEM ), N_CGRID_SPC, CGRID_NAME ) \n IF ( INDX .NE. 0 ) THEN \n FAMSPIDS( NFAM, NMEM ) = INDX\n JNDX = INDEX1( FAMMEMNAM( NFAM,NMEM ), NUMB_MECH_SPC, CHEMISTRY_SPC ) \n IF ( JNDX .EQ. 0 ) LCHEMFAM( NFAM ) = .FALSE.\n ELSE\n WRITE( MSG, 94040 ) NFAM, FAMNAME( NFAM ),\n & FAMMEMNAM( NFAM,NMEM )\n CALL M3MESG( MSG )\n LERROR = .TRUE.\n END IF\n END DO\n\n IF ( .NOT. LERROR ) THEN\n NVALID = NVALID + 1\n VALNAME( NVALID ) = FAMNAME( NFAM )\n END IF\n40 CONTINUE\n IF ( LERROR ) LERREND = .TRUE. \n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Check rxnsums inputs\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n LERROR = .FALSE.\n DO 80 NRXS = 1, NRXSUMS\n LRXUSED( NRXS ) = .FALSE.\n\n INDX = INDEX1( RXSUMNAME( NRXS ), N_CGRID_SPC, CGRID_NAME )\n IF ( INDX .NE. 0 ) THEN \n WRITE( MSG, 94060 ) NRXS, RXSUMNAME( NRXS )\n CALL M3MESG( MSG )\n LERROR = .TRUE.\n END IF\n\n INDX = INDEX1( RXSUMNAME( NRXS ), NVALID, VALNAME )\n IF ( INDX .NE. 0 ) THEN\n WRITE( MSG, 94080 ) NRXS, RXSUMNAME( NRXS )\n CALL M3MESG( MSG )\n LERROR = .TRUE.\n END IF\n\n DO NTERM = 1, NRXTERMS( NRXS )\n INDX = INDEX1( RXSUMLBL( NRXS,NTERM ), NRXNS, RXLABEL ) \n IF ( INDX .NE. 0 ) THEN\n RXSUMRN( NRXS, NTERM ) = INDX\n ELSE\n WRITE( MSG, 94100 )\n CALL M3MESG( MSG )\n WRITE( MSG, 94105 ) NRXS, RXSUMNAME( NRXS )\n CALL M3MESG( MSG )\n WRITE( MSG, 94110 ) RXSUMLBL( NRXS,NTERM )\n CALL M3MESG( MSG )\n LERROR = .TRUE.\n END IF\n END DO\n\n IF ( .NOT. LERROR ) THEN\n NVALID = NVALID + 1\n VALNAME( NVALID ) = RXSUMNAME( NRXS )\n END IF\n80 CONTINUE\n\n IF ( LERROR ) LERREND = .TRUE. \n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Check cycle names and cycle species names\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n LERROR = .FALSE.\n DO 100 NCYC = 1, NCYCLES\n LCYUSED( NCYC ) = .FALSE.\n\n INDX = INDEX1( CYCLNAME( NCYC ), N_CGRID_SPC, CGRID_NAME )\n IF ( INDX .NE. 0 ) THEN\n WRITE( MSG, 94120 ) NCYC, CYCLNAME( NCYC )\n CALL M3MESG( MSG )\n LERROR = .TRUE.\n END IF\n\n INDX = INDEX1( CYCLNAME( NCYC ), NVALID, VALNAME )\n IF ( INDX .NE. 0 ) THEN\n WRITE( MSG, 94140 ) NCYC, CYCLNAME( NCYC )\n CALL M3MESG( MSG )\n LERROR = .TRUE.\n END IF\n\n LFOUND = .FALSE.\n INDX = INDEX1( CYCLSPEC( NCYC ), NUMB_MECH_SPC, CHEMISTRY_SPC )\n IF ( INDX .NE. 0 ) THEN\n LFOUND = .TRUE.\n CYSPTYP( NCYC ) = 'MECH'\n CYSPNUM( NCYC ) = INDX\n END IF\n\n INDX = INDEX1( CYCLSPEC( NCYC ), NFAMLYS, FAMNAME ) \n IF ( INDX .NE. 0 ) THEN\n LFOUND = .TRUE.\n CYSPTYP( NCYC ) = 'FAM'\n CYSPNUM( NCYC ) = INDX\n END IF\n\n IF ( .NOT. LFOUND ) THEN\n WRITE( MSG, 94160 ) NCYC, CYCLNAME( NCYC ), CYCLSPEC( NCYC )\n CALL M3MESG( MSG )\n LERROR = .TRUE.\n END IF\n100 CONTINUE\n IF ( LERROR ) LERREND = .TRUE. \n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Check IRR_OUTPUT species names and reaction labels\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n LERROR = .FALSE.\n DO 140 NOUT = 1, NIRROUT\n\nc..check that the output name itself is unique\n INDX = INDEX1( IRRNAME( NOUT ), N_CGRID_SPC, CGRID_NAME )\n IF ( INDX .NE. 0 ) THEN \n WRITE( MSG, 94180 ) NOUT, IRRNAME( NOUT )\n CALL M3MESG( MSG )\n LERROR = .TRUE.\n END IF\n \n INDX = INDEX1( IRRNAME( NOUT ), NVALID, VALNAME )\n IF ( INDX .NE. 0 ) THEN\n WRITE( MSG, 94200 ) NOUT, IRRNAME( NOUT )\n CALL M3MESG( MSG )\n LERROR = .TRUE.\n END IF\n\n IF ( .NOT. LERROR ) THEN\n NVALID = NVALID + 1\n VALNAME( NVALID ) = IRRNAME( NOUT )\n END IF\n\n DO 120 NTERM = 1, NIRRTERMS( NOUT )\n\nc...check names used in production/loss/net operators\n TYPE = OUTTYPE( NOUT,NTERM )\n IF ( TYPE .EQ. 'PROD' .OR. TYPE .EQ. 'NETP' .OR. \n & TYPE .EQ. 'LOSS' .OR. TYPE .EQ. 'NETL' .OR.\n & TYPE .EQ. 'NET' ) THEN\n\n LFOUND = .FALSE.\n\n INDX = INDEX1( OUTSPEC1( NOUT,NTERM ), NUMB_MECH_SPC, CHEMISTRY_SPC )\n IF ( INDX .NE. 0 ) THEN\n LFOUND = .TRUE.\n OUTS1TYP( NOUT, NTERM ) = 'MECH'\n OUTS1NUM( NOUT, NTERM ) = INDX\n END IF\n\n INDX = INDEX1( OUTSPEC1( NOUT,NTERM ), NFAMLYS, FAMNAME )\n IF ( INDX .NE. 0 .AND. LCHEMFAM( INDX ) ) THEN\n LFOUND = .TRUE.\n OUTS1TYP( NOUT, NTERM ) = 'FAM'\n OUTS1NUM( NOUT, NTERM ) = INDX\n END IF\n \n IF ( .NOT. LFOUND ) THEN\n LERROR = .TRUE.\n IF ( INDX .NE. 0 .AND. .NOT. LCHEMFAM( INDX ) ) THEN\n WRITE( MSG, 94220 )\n CALL M3MESG( MSG )\n WRITE( MSG, 94260 ) NOUT, IRRNAME( NOUT ) \n CALL M3MESG( MSG )\n WRITE( MSG, 94230 ) OUTSPEC1( NOUT, NTERM )\n CALL M3MESG( MSG )\n ELSE\n WRITE( MSG, 94240 )\n CALL M3MESG( MSG )\n WRITE( MSG,94260 ) NOUT, IRRNAME( NOUT ) \n CALL M3MESG( MSG )\n WRITE( MSG, 94280 ) OUTSPEC1( NOUT, NTERM )\n CALL M3MESG( MSG )\n END IF\n END IF\n\n IF ( OUTSPEC2( NOUT,NTERM ) .NE. '' .AND. \n & ( TYPE .EQ. 'PROD' .OR. TYPE .NE. 'NETP' ) ) THEN\n LFOUND = .FALSE.\n INDX = INDEX1( OUTSPEC2( NOUT,NTERM ), NUMB_MECH_SPC, CHEMISTRY_SPC )\n IF ( INDX .NE. 0 ) THEN\n LFOUND = .TRUE.\n OUTS2TYP( NOUT,NTERM ) = 'MECH'\n OUTS2NUM( NOUT,NTERM ) = INDX\n END IF\n\n INDX = INDEX1( OUTSPEC2( NOUT,NTERM ), NFAMLYS, FAMNAME )\n IF ( INDX .NE. 0 .AND. LCHEMFAM( INDX ) ) THEN\n LFOUND = .TRUE.\n OUTS2TYP( NOUT,NTERM ) = 'FAM'\n OUTS2NUM( NOUT,NTERM ) = INDX\n END IF\n\n IF ( OUTSPEC2( NOUT,NTERM ) .EQ. 'hv' ) THEN\n LFOUND = .TRUE.\n OUTS2TYP( NOUT,NTERM ) = 'MECH'\n OUTS2NUM( NOUT,NTERM ) = 0\n END IF\n \n IF ( .NOT. LFOUND ) THEN\n LERROR = .TRUE.\n IF ( INDX .NE. 0 .AND. .NOT. LCHEMFAM( INDX ) ) THEN\n WRITE( MSG, 94220 )\n CALL M3MESG( MSG )\n WRITE( MSG, 94260 ) NOUT, IRRNAME( NOUT ) \n CALL M3MESG( MSG )\n WRITE( MSG, 94230 ) OUTSPEC2( NOUT,NTERM )\n CALL M3MESG( MSG )\n ELSE\n WRITE( MSG, 94240 )\n CALL M3MESG( MSG )\n WRITE( MSG, 94260 ) NOUT, IRRNAME( NOUT )\n CALL M3MESG( MSG )\n WRITE( MSG, 94280 ) OUTSPEC2( NOUT,NTERM )\n CALL M3MESG( MSG )\n END IF\n END IF\n END IF\n \n IF ( OUTSPEC3( NOUT, NTERM ) .NE. '' .AND. \n & TYPE .NE. 'NET' ) THEN\n LFOUND = .FALSE.\n INDX = INDEX1( OUTSPEC3( NOUT,NTERM ), NUMB_MECH_SPC, CHEMISTRY_SPC )\n IF ( INDX .NE. 0 ) THEN\n LFOUND = .TRUE.\n OUTS3TYP( NOUT,NTERM ) = 'MECH'\n OUTS3NUM( NOUT,NTERM ) = INDX\n END IF\n\n INDX = INDEX1( OUTSPEC3( NOUT,NTERM ), NFAMLYS, FAMNAME )\n IF ( INDX .NE. 0 .AND. LCHEMFAM( INDX ) ) THEN\n LFOUND = .TRUE.\n OUTS3TYP( NOUT,NTERM ) = 'FAM'\n OUTS3NUM( NOUT,NTERM ) = INDX\n END IF\n\n IF ( OUTSPEC3( NOUT,NTERM ) .EQ. 'hv ' ) THEN\n LFOUND = .TRUE.\n OUTS3TYP( NOUT,NTERM ) = 'MECH'\n OUTS3NUM( NOUT,NTERM ) = 0\n END IF\n \n IF ( .NOT. LFOUND ) THEN\n LERROR = .TRUE.\n IF ( INDX .NE. 0 .AND. .NOT. LCHEMFAM( INDX ) ) THEN\n WRITE( MSG, 94220 )\n CALL M3MESG( MSG )\n WRITE( MSG, 94260 ) NOUT, IRRNAME( NOUT ) \n CALL M3MESG( MSG )\n WRITE( MSG,94230 ) OUTSPEC2( NOUT,NTERM )\n CALL M3MESG( MSG )\n ELSE\n WRITE( MSG, 94240 )\n CALL M3MESG( MSG )\n WRITE( MSG, 94260 ) NOUT, IRRNAME( NOUT )\n CALL M3MESG( MSG )\n WRITE( MSG, 94280 ) OUTSPEC3( NOUT,NTERM ) \n CALL M3MESG( MSG )\n END IF\n END IF\n END IF\n\nc..check cycle names or reaction sum names\n ELSE IF ( TYPE .EQ. 'NAME' ) THEN\n LFOUND = .FALSE.\n INDX = INDEX1( OUTSPEC1( NOUT,NTERM ), NRXSUMS, RXSUMNAME )\n IF ( INDX .NE. 0 ) THEN \n LFOUND = .TRUE.\n OUTS1TYP( NOUT, NTERM ) = 'RXSM'\n OUTS1NUM( NOUT, NTERM ) = INDX\n LRXUSED( INDX ) = .TRUE.\n END IF\n INDX = INDEX1( OUTSPEC1( NOUT,NTERM ), NCYCLES, CYCLNAME )\n IF ( INDX .NE. 0 ) THEN \n LFOUND = .TRUE.\n OUTS1TYP( NOUT,NTERM ) = 'CYCL'\n OUTS1NUM( NOUT,NTERM ) = INDX\n LCYUSED( INDX ) = .TRUE.\n END IF\n\n IF ( .NOT. LFOUND ) THEN\n WRITE( MSG, 94300 )\n CALL M3MESG( MSG )\n WRITE( MSG, 94320 ) NOUT, IRRNAME( NOUT ) \n CALL M3MESG( MSG )\n WRITE( MSG, 94340 ) OUTSPEC1( NOUT,NTERM )\n CALL M3MESG( MSG )\n LERROR = .TRUE.\n END IF\n\nc..check for reaction label name\n ELSE IF ( TYPE .EQ. 'RXN' ) THEN\n LFOUND = .FALSE.\n INDX = INDEX1( OUTRXLBL( NOUT,NTERM ), NRXNS, RXLABEL )\n IF ( INDX .NE. 0 ) THEN \n LFOUND = .TRUE.\n OUTRN( NOUT,NTERM ) = INDX\n END IF\n\n IF ( .NOT. LFOUND ) THEN\n WRITE( MSG, 94360 )\n CALL M3MESG( MSG )\n WRITE( MSG, 94380 ) NOUT, IRRNAME( NOUT ) \n CALL M3MESG( MSG )\n WRITE( MSG, 94400 ) OUTRXLBL( NOUT,NTERM )\n CALL M3MESG( MSG )\n LERROR = .TRUE.\n END IF\n ELSE\n WRITE( MSG, 94420 )\n CALL M3MESG( MSG )\n WRITE( MSG, 94440 ) NOUT, IRRNAME( NOUT )\n CALL M3MESG( MSG )\n WRITE( MSG, 94460 ) TYPE\n CALL M3MESG( MSG )\n LERROR = .TRUE.\n END IF\n120 CONTINUE\n140 CONTINUE \n IF ( LERROR ) LERREND = .TRUE.\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Check IPR_OUTPUT species names\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n LERROR = .FALSE.\n IF ( N_IPR_SPC .GT. 0 ) THEN\n OFFSET = 0\n NEWNPASP = N_IPR_SPC\n DO 160 NOUT = 1, N_IPR_SPC\n PAINDX = NOUT + OFFSET \n LFOUND = .FALSE.\n INDX = INDEX1( IPR_SPNAM( PAINDX ), N_CGRID_SPC, CGRID_NAME )\n IF ( INDX .NE. 0 ) THEN \n LFOUND = .TRUE.\n IPR_SPTYPE( PAINDX ) = 'SPEC'\n IPR_SPNUM( PAINDX ) = INDX\n END IF\n \n IF ( .NOT. LFOUND ) THEN\n INDX = INDEX1( IPR_SPNAM( PAINDX ), NFAMLYS, FAMNAME )\n IF ( INDX .NE. 0 ) THEN \n LFOUND = .TRUE.\n IPR_SPTYPE( PAINDX ) = 'FAM'\n IPR_SPNUM( PAINDX ) = INDX\n END IF\n END IF\n\nc..If all species requested, insert all species into position\n IF ( .NOT. LFOUND. AND. \n & ( IPR_SPNAM( PAINDX )( 1:3 ) .EQ. 'ALL' .OR.\n & IPR_SPNAM( NOUT )( 1:3 ) .EQ. 'all' ) ) THEN\n LFOUND = .TRUE.\n NEWNPASP = PAINDX - 1 + N_CGRID_SPC + ( N_IPR_SPC - NOUT )\n IF ( NEWNPASP .GT. MAXIPRSPC ) THEN\n WRITE( MSG, 94800 )\n CALL M3MESG( MSG )\n WRITE( MSG, 94820 ) MAXIPRSPC\n CALL M3MESG( MSG )\n WRITE( MSG, 94840 )\n CALL M3MESG( MSG )\n CALL M3EXIT( 'ERRCHECK', IZERO, IZERO, ' ', XSTAT1 )\n END IF\n\n OFFSET = PAINDX - 1 + N_CGRID_SPC - NOUT\n IF ( N_IPR_SPC .GT. NOUT ) THEN\n CINDX = PAINDX\n DO N = NOUT + 1, N_IPR_SPC\n CINDX = CINDX + 1\n HINDX = N + OFFSET\n IPR_SPNAM( HINDX ) = IPR_SPNAM( CINDX )\n N_IPR_OPS( HINDX ) = N_IPR_OPS( CINDX )\n IF ( N_IPR_OPS( HINDX ) .GT. 0 ) THEN\n DO NOP = 1, N_IPR_OPS( HINDX )\n IPR_OPNAME( HINDX, NOP ) = IPR_OPNAME( CINDX,NOP )\n END DO\n END IF\n END DO\n END IF\n\n LINDX = PAINDX\n DO N = 1, N_CGRID_SPC\n IPR_SPNAM( LINDX ) = CGRID_NAME( N )\n N_IPR_OPS( LINDX ) = N_IPR_OPS( PAINDX )\n IPR_SPTYPE( LINDX ) = 'SPEC'\n IPR_SPNUM( LINDX ) = N\n DO NOP = 1, N_IPR_OPS( LINDX )\n IPR_OPNAME( LINDX,NOP ) = IPR_OPNAME( PAINDX,NOP )\n END DO\n LINDX = LINDX + 1\n END DO\n END IF\n \n IF ( .NOT. LFOUND ) THEN\n WRITE( MSG, 94480 )\n CALL M3MESG( MSG )\n WRITE( MSG, 94500 ) IPR_SPNAM( PAINDX )\n CALL M3MESG( MSG )\n LERROR = .TRUE.\n END IF\n160 CONTINUE\n N_IPR_SPC = NEWNPASP\n END IF \n IF ( LERROR ) LERREND = .TRUE.\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Check IPR_OUTPUT operators\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n LERROR = .FALSE.\n DO 180 NOUT = 1, N_IPR_SPC\n NOPS = N_IPR_OPS( NOUT )\n IF ( NOPS .EQ. 0 ) THEN\n DO N = 1, NPRCS\n IPR_OPNAME( NOUT,N ) = PROCNAME( N )\n END DO\n N_IPR_OPS( NOUT ) = NPRCS\n END IF\n180 CONTINUE\n\n IF ( LERROR ) LERREND = .TRUE.\n \n IF ( LERROR .OR. LERREND ) GO TO 999 ! If errors, skip next error checks\n\nc determine NIRRRXNS\n ALLOCATE( NIRRRXNS( NIRRVAR ), STAT = ASTAT ) ! NIRRVAR .ge. NIRROUT\n IF ( ASTAT .NE. 0 ) THEN\n MSG = 'ERROR 1 allocating IRR variables'\n CALL M3EXIT ( 'PA_ERRCHECK', 0, 0, MSG, XSTAT2 )\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get IRR reaction numbers excluding those included in CYCLES & RXNSUMS \nc and check dimension magnitudes\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n LERROR = .FALSE.\n MXNIRRRXNS = 0\n DO 300 NOUT = 1, NIRROUT\n NIRRRXNS( NOUT ) = 0\n \nc..Flag reactions included in Cycles for elimination in operators\n DO NRX = 1, NRXNS\n LRXINC( NRX ) = .TRUE.\n END DO\n\n IF ( NOUTCYCS( NOUT ) .GT. 0 ) THEN\n DO N = 1, NOUTCYCS( NOUT )\n NCYC = OUTCYCS( NOUT, N )\n DO NTERM = 1, NCYTERMS( NCYC )\n INDX = CYRXNUM( NCYC,NTERM )\n LRXINC( INDX ) = .FALSE.\n END DO\n END DO\n END IF\n\n DO 280 NTERM = 1, NIRRTERMS( NOUT )\n TYPE = OUTTYPE( NOUT, NTERM ) \n IF ( TYPE .NE. 'NAME' .AND. TYPE .NE. 'RXN' ) THEN \n CALL GETRXNS( NOUT, NTERM, NR, RXNUMS, COEFFS, LRXINC )\n IF ( NR .GT. 0 ) THEN\n NUMRXNS = NIRRRXNS( NOUT ) + NR\n IF ( NUMRXNS .GT. MAXTERMS ) THEN\n WRITE( MSG, 94560 )\n CALL M3MESG( MSG )\n WRITE( MSG, 94580 ) NOUT, IRRNAME( NOUT )\n CALL M3MESG( MSG )\n LERROR = .TRUE.\n GO TO 300\n END IF\n DO NRX = 1, NR\n INDX = RXNUMS( NRX )\n IRRIND = NIRRRXNS( NOUT ) + NRX\n IRRRXN_TMP( NOUT,IRRIND ) = INDX\n IRRCOEF_TMP( NOUT,IRRIND ) = COEFFS( NRX ) * OUTSC( NOUT,NTERM ) \n END DO \n NIRRRXNS( NOUT ) = NIRRRXNS( NOUT ) + NR\n END IF\n ELSE IF ( TYPE .EQ. 'RXN' ) THEN\n NUMRXNS = NIRRRXNS( NOUT ) + 1\n IF ( NUMRXNS .GT. MAXTERMS ) THEN\n WRITE( MSG, 94560 )\n CALL M3MESG( MSG )\n WRITE( MSG, 94580 ) NOUT, IRRNAME( NOUT )\n CALL M3MESG( MSG )\n LERROR = .TRUE.\n GO TO 300 \n END IF\n NIRRRXNS( NOUT ) = NIRRRXNS( NOUT ) + 1 \n IRRRXN_TMP( NOUT,NIRRRXNS( NOUT ) ) = OUTRN( NOUT,NTERM ) \n IRRCOEF_TMP( NOUT,NIRRRXNS( NOUT ) ) = OUTSC( NOUT,NTERM )\n END IF\n280 CONTINUE\n MXNIRRRXNS = MAX( MXNIRRRXNS, NIRRRXNS( NOUT ) ) \n300 CONTINUE\n\n ALLOCATE( IRRRXN( NIRRVAR,MXNIRRRXNS ),\n & IRRCOEF( NIRRVAR,MXNIRRRXNS ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n MSG = 'ERROR 2 allocating IRR variables'\n CALL M3EXIT ( 'PA_ERRCHECK', 0, 0, MSG, XSTAT2 )\n END IF\n\n IRRRXN = IRRRXN_TMP( 1:NIRRVAR,1:MXNIRRRXNS )\n IRRCOEF = IRRCOEF_TMP( 1:NIRRVAR,1:MXNIRRRXNS )\n\n IF ( LERROR ) LERREND = .TRUE.\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Check some dimension limits, saving some info\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n NUMOUTPOS = 0\n NUMOUTNEG = 0\n NUMOUTIND = 0\n DO NOUT = 1, NIRROUT\n DO NTERM = 1, NIRRTERMS( NOUT )\n TYPE = OUTS1TYP( NOUT, NTERM )\n IF ( TYPE .EQ. 'CYCL' .OR. TYPE .EQ. 'RXSM' ) THEN \n PNFLAG = OUTPNFLAG( NOUT,NTERM )\n IF ( PNFLAG .EQ. 'POSONLY' ) THEN\n NUMOUTPOS = NUMOUTPOS + 1\n ELSE IF ( PNFLAG .EQ. 'NEGONLY' ) THEN\n NUMOUTNEG = NUMOUTNEG + 1\n ELSE IF ( PNFLAG .EQ. '' ) THEN\n NUMOUTIND = NUMOUTIND + 1\n END IF \n END IF\n END DO\n END DO\n\n IF ( NUMOUTPOS .GT. MAXTERMS .OR. NUMOUTNEG .GT. MAXTERMS .OR.\n & NUMOUTIND .GT. MAXTERMS ) THEN\n WRITE( MSG, 94600 ) MAXTERMS\n CALL M3MESG( MSG )\n LERREND = .TRUE.\n END IF\n\n IF ( LFULLIRR .AND. NRXNS .GT. MAXIRROUT ) THEN\n WRITE( MSG, 94610 ) MAXIRROUT\n CALL M3MESG( MSG )\n LERREND = .TRUE.\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Check to see that a species is not named more than once in a FAMILY\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n LERROR = .FALSE.\n LFIRST = .TRUE.\n DO NFAM = 1, NFAMLYS\n DO NMEM = 1, NUMFAMMEM( NFAM )\n DO N = 1, NUMFAMMEM( NFAM )\n IF ( NMEM .NE. N ) THEN\n IF ( FAMMEMNAM( NFAM,NMEM ) .EQ. \n & FAMMEMNAM( NFAM,N ) ) THEN\n IF ( LFIRST ) THEN\n WRITE( MSG, 94620 ) \n CALL M3MESG( MSG )\n LFIRST = .FALSE.\n END IF\n WRITE( MSG, 94640 ) NFAM, FAMNAME( NFAM ), \n & FAMMEMNAM( N,NMEM )\n CALL M3MESG( MSG )\n LERROR = .TRUE.\n END IF\n END IF\n END DO\n END DO\n END DO\n IF ( LERROR ) LERREND = .TRUE. \n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Check to see that all species in a FAMILY have the same units\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n LERROR = .FALSE.\n DO NFAM = 1, NFAMLYS\n LDIFF = .FALSE.\n DO NMEM = 1, NUMFAMMEM( NFAM )\n SP_UNITS( NMEM ) = 'ppm'\n INDX = INDEX1( FAMMEMNAM( NFAM,NMEM ), N_CGRID_SPC, CGRID_NAME )\n IF ( NMEM .EQ. 1 ) THEN\n FAM_UNITS = SP_UNITS( NMEM )\n ELSE\n IF ( SP_UNITS( NMEM ) .NE. FAM_UNITS ) LDIFF = .TRUE. \n END IF\n END DO\n\n IF ( LDIFF ) THEN\n LERROR = .TRUE.\n WRITE( MSG, 94650 ) NFAM, FAMNAME( NFAM ) \n CALL M3MESG( MSG )\n DO NMEM = 1, NUMFAMMEM( NFAM )\n WRITE( MSG,94652 ) NMEM, FAMMEMNAM( NFAM,NMEM ), SP_UNITS( NMEM ) \n CALL M3MESG( MSG )\n END DO\n END IF\n END DO \n IF ( LERROR ) LERREND = .TRUE. \n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Check to see if any defined CYCLES or RXNSUMS are not used\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n LFIRST = .TRUE.\n DO NCYC = 1, NCYCLES\n IF ( .NOT. LCYUSED( NCYC ) ) THEN\n IF ( LFIRST ) THEN \n WRITE( MSG, 94660 ) \n CALL M3MESG( MSG )\n LFIRST = .FALSE.\n END IF\n WRITE( MSG, 94680 ) NCYC, CYCLNAME( NCYC )\n CALL M3MESG( MSG )\n END IF\n END DO\n\n LFIRST = .TRUE.\n DO NRXS = 1, NRXSUMS\n IF ( .NOT. LRXUSED( NRXS ) ) THEN\n IF ( LFIRST ) THEN \n WRITE( MSG, 95700 ) \n CALL M3MESG( MSG )\n LFIRST = .FALSE.\n END IF\n WRITE( MSG, 95720 ) NRXS, RXSUMNAME( NRXS )\n CALL M3MESG( MSG )\n END IF\n END DO\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Return or stop\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n999 CONTINUE\n IF ( LERREND ) THEN\n WRITE( MSG, 95740 )\n CALL M3MESG( MSG )\n CALL M3EXIT( 'ERRCHECK', IZERO, IZERO, ' ', XSTAT1 )\n ELSE\n WRITE( MSG, 95760 )\n CALL M3MESG( MSG )\n RETURN\n END IF\n \nC---------------------- Format Statements ----------------------------- \n \n93000 FORMAT( 'Entering the Process Analysis error checking routine' )\n94000 FORMAT( 'ERROR: FAMILY name ', I3, ' ', A16, \n & ' duplicates a species name' )\n94020 FORMAT( 'ERROR: FAMILY name ', I3, ' ', A16, ' duplicates another',\n & ' DEFINEd name' )\n94040 FORMAT( 'ERROR: Invalid member name for FAMILY ', I3, ' ', A16,\n & ':', A16 )\n94060 FORMAT( 'ERROR: RXNSUM name ', I3, ' ', A16,\n & ' duplicates a species name' )\n94080 FORMAT( 'ERROR: RXNSUM name ', I3, ' ', A16,' duplicates another',\n & ' DEFINEd name' )\n94100 FORMAT( 'ERROR: Invalid reaction label for RXNSUM' )\n94105 FORMAT( ' RXNSUM name ', I3, ': ', A16 )\n94110 FORMAT( ' Invalid reaction label: ', A16 ) \n94120 FORMAT( 'ERROR: CYCLE name ', I3, ' ', A16,\n & ' duplicates a species name' )\n94140 FORMAT( 'ERROR: CYCLE name ', I3, ' ', A16, ' duplicates another',\n & ' DEFINEd name' )\n94160 FORMAT( 'ERROR: Invalid species name for CYCLE ', I3,' ',A16,\n & ': ', A16 ) \n94180 FORMAT( 'ERROR: IRR_OUTPUT name ', I3, ' ', A16, ' duplicates',\n & ' a species name' )\n94200 FORMAT( 'ERROR: IRR_OUTPUT name ', I3, ' ', A16, ' duplicates',\n & ' another DEFINEd name' )\n94220 FORMAT( 'ERROR: Family in an IRR_OUTPUT operator contains a non-',\n & 'gas chemistry species' )\n94230 FORMAT( ' Family name: ', A16 )\n94240 FORMAT( 'ERROR: Invalid species name in an IRR_OUTPUT operator' )\n94260 FORMAT( ' IRR_OUTPUT name ', I3, ': ', A16 )\n94280 FORMAT( ' Invalid name: ', A16 ) \n94300 FORMAT( 'ERROR: Invalid CYCLE or RXNSUM name in an IRR_OUTPUT' )\n94320 FORMAT( ' IRR_OUTPUT name ', I3, ': ', A16 )\n94340 FORMAT( ' Invalid name: ', A16 )\n94360 FORMAT( 'ERROR: Invalid reaction label for an IRR_OUTPUT' )\n94380 FORMAT( ' IRR_OUTPUT name ', I3, ': ', A16 )\n94400 FORMAT( ' Invalid reaction label: ', A16 ) \n94420 FORMAT( 'ERROR: Invalid operation type for IRR_OUTPUT' )\n94440 FORMAT( ' IRR_OUTPUT name ', I3, ': ', A16 )\n94460 FORMAT( ' Invalid operation name: ', A16 ) \n94480 FORMAT( 'ERROR: Invalid species name for IPR_OUTPUT operation' )\n94500 FORMAT( ' Invalid name: ', A16 )\n94560 FORMAT( 'ERROR: The total number of reactions in the IRR_OUTPUT',\n & ' operation exceeds the maximum allowable of 500' )\n94580 FORMAT( ' IRR_OUTPUT name ', I3, ': ', A16 )\n94600 FORMAT( 'ERROR: The number of CYCLEs plus RXSUMs exceeds the',\n & ' maximum allowable of 500' )\n94610 FORMAT( 'ERROR: The number of reactions for IRRTYPE=FULL exceeds',\n & ' the maximum allowable of 500' )\n94620 FORMAT( 'ERROR: A species is listed more than once in a FAMILY' )\n94640 FORMAT( ' FAMILY ', I3, ': ', A,' SPECIES: ', A )\n94650 FORMAT( 'ERROR: Inconsistent species units in FAMILY ', I3, ': ', A )\n94652 FORMAT( ' SPECIES ', I3, ': ', A, ' UNITS: ', A )\n94660 FORMAT( 'WARNING: The following cycles were defined but not used:' )\n94680 FORMAT( ' CYCLE ', I3, ': ', A )\n95700 FORMAT( 'WARNING: The following rxsums were defined but not used:' )\n95720 FORMAT( ' RXSUM ', I3, ': ', A )\n95740 FORMAT( 'STOPPING in ERRCHECK because of errors' )\n95760 FORMAT( 'No input errors detected, continuing....' ) \n94800 FORMAT( 'ERROR: Maximum number of PA species exceeded' )\n94820 FORMAT( ' Modify PARAMETER ( MAXIPRSPC =', I3,' ) or decrease',\n & ' the number of PA species' )\n94840 FORMAT( ' Error occurred while processing species option ',\n & ' ALL' )\n\n END SUBROUTINE PA_ERRCHECK\n" }, { "path": "CCTM/src/procan/pa/pa_getcoef.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE GETCOEF( COEF )\n\nC-----------------------------------------------------------------------\nC Function: To get a coefficient from the input buffer\n \nC Preconditions: None\n \nC Key Subroutines/Functions Called: GETCHR\nC PA_GETREAL\n \nC Revision History:\nC Prototype created by Jerry Gipson, August, 1996\nC Modified May, 1997 by Jerry Gipson to be consistent with beta CTM\nC Modified Sept, 1997 by Jerry Gipson to be consistent with targeted CTM\nC Aug 2011 Jeff Young: Replaced I/O API include files with IOAPI's M3UTILIO\nC Sep 2018 C. Nolte, S. Roselle: replace M3UTILIO with UTILIO_DEFN\nC-----------------------------------------------------------------------\n\n USE UTILIO_DEFN, Only: M3MESG, M3EXIT, XSTAT2 ! IOAPI module\n USE PA_GLOBAL ! Mech data used \n USE PA_PARSE\n\n IMPLICIT NONE\n \nC Includes: None\n \nC Arguments:\n REAL COEF ! Returned coefficient\n \nC Parameters: None\n\nC External Functions: None\n\nC Local Variables:\n INTEGER INTCHR ! Integer ASCII code of a character\n LOGICAL LNEG ! Flag for negative coefficient\n \nC-----------------------------------------------------------------------\n COEF = 1.0\n LNEG = .FALSE.\n\n IF ( CHR .EQ. '+' .OR. CHR .EQ. '-' ) THEN\n IF ( CHR .EQ. '-' ) LNEG = .TRUE.\n CALL GETCHR\n END IF \n\n INTCHR = ICHAR( CHR )\n\n IF ( ( INTCHR .GE. 48 .AND. INTCHR .LE. 57 ) .OR.\n & CHR .EQ. '.' ) THEN\n CALL PA_GETREAL\n COEF = NUMBER\n IF ( CHR .EQ. '*' ) THEN\n CALL GETCHR\n ELSE\n WRITE( MSG, 94000 ) \n CALL M3MESG( MSG )\n WRITE( MSG, 94500 ) LINNUM, INBUF\n CALL M3MESG( MSG )\n WRITE( MSG, 94520 ) CHR\n CALL M3MESG( MSG )\n CALL M3EXIT( 'GETCOEF', IZERO, IZERO, ' ', XSTAT2 )\n END IF\n END IF\n IF ( LNEG ) COEF = -COEF\n\n RETURN\n\nC----------------------- FORMAT Statements -----------------------------\n\n94000 FORMAT( 'ERROR: An asterisk (*) must follow a coefficient' )\n94500 FORMAT( ' Line No. ', I4, ': ', A )\n94520 FORMAT( ' Character found: ', A )\n\n END SUBROUTINE GETCOEF\n" }, { "path": "CCTM/src/procan/pa/pa_getcycle.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE GETCYCLE\n\nC-----------------------------------------------------------------------\nC Function: To process the DEFINE CYCLE option \n \nC Preconditions: None\n \nC Key Subroutines/Functions Called: GETCHR\nC GETWORD\n \nC Revision History:\nC Prototype created by Jerry Gipson, August, 1996\nC Modified May, 1997 by Jerry Gipson to be consistent with beta CTM\nC Modified Sept, 1997 by Jerry Gipson to be consistent with targeted CTM\nC Aug 2011 Jeff Young: Replaced I/O API include files with IOAPI's M3UTILIO\nC Sep 2018 C. Nolte, S. Roselle: replace M3UTILIO with UTILIO_DEFN\nC-----------------------------------------------------------------------\n \n USE UTILIO_DEFN\n USE PA_VARS\n USE PA_PARSE\n\n IMPLICIT NONE\n \nC Includes: None\n \nC Arguments: None\n \nC Parameters: None\n\nC External Functions: None\n\nC Local Variables: None\n\nC-----------------------------------------------------------------------\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get assigned name and check for = sign delimiter\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n NCYCLES = NCYCLES + 1\n IF( NCYCLES .GT. MAXCYCLES ) THEN\n WRITE( MSG, 94000 ) \n CALL M3MESG( MSG )\n WRITE( MSG, 94500 ) LINNUM, INBUF\n CALL M3MESG( MSG )\n WRITE( MSG, 94020 ) MAXCYCLES\n CALL M3MESG( MSG )\n CALL M3EXIT( 'GETCYCLE', IZERO, IZERO, ' ', XSTAT2 )\n ENDIF\n\n CALL GETWORD\n CYCLNAME( NCYCLES ) = WORD\n\n IF( CHR .NE. '=' ) THEN\n WRITE( MSG, 94040 ) \n CALL M3MESG( MSG )\n WRITE( MSG, 94500 ) LINNUM, INBUF\n CALL M3MESG( MSG )\n WRITE( MSG, 94520 ) CHR\n CALL M3MESG( MSG )\n CALL M3EXIT( 'GETCYCLE', IZERO, IZERO, ' ', XSTAT2 )\n ELSE\n CALL GETCHR\n ENDIF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get the name of the CYCLE species and return\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n CALL GETWORD\n CYCLSPEC( NCYCLES ) = WORD\n\n IF( CHR .EQ .';' ) THEN\n CALL GETCHR\n RETURN\n ELSE\n WRITE( MSG, 94060 ) \n CALL M3MESG( MSG )\n WRITE( MSG, 94500 ) LINNUM, INBUF\n CALL M3MESG( MSG )\n WRITE( MSG, 94520 ) CHR\n CALL M3MESG( MSG )\n CALL M3EXIT( 'GETCYCLE', IZERO, IZERO, ' ', XSTAT2 ) \n END IF\n\nC----------------------- FORMAT Statements -----------------------------\n\n94000 FORMAT( 'ERROR: Maximum number of CYCLEs exceeded' )\n94020 FORMAT( ' Modify PARAMETER ( MAXCYCLES =', I3,' ) or',\n & ' decrease the number of CYCLEs' )\n94040 FORMAT( 'ERROR: An equal sign expected after CYCLE name' )\n94060 FORMAT( 'ERROR: A ; must end a CYCLE definition' )\n\n94500 FORMAT( ' Line No. ', I4, ': ', A )\n94520 FORMAT( ' Character found: ', A )\n\n END SUBROUTINE GETCYCLE\n" }, { "path": "CCTM/src/procan/pa/pa_getdesc.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE GETDESC( LASTCMND )\n\nC-----------------------------------------------------------------------\nC Function: To process the DESC command \n \nC Preconditions: None\n \nC Key Subroutines/Functions Called: GETCHR\nC GETQUOTE\n \nC Revision History:\nC Prototype created by Jerry Gipson, August, 1996\nC Modified May, 1997 by Jerry Gipson to be consistent with beta CTM\nC Modified Sept, 1997 by Jerry Gipson to be consistent with targeted CTM\nC Aug 2011 Jeff Young: Replaced I/O API include files with IOAPI's M3UTILIO\nC Sep 2018 C. Nolte, S. Roselle: replace M3UTILIO with UTILIO_DEFN\nC-----------------------------------------------------------------------\n USE UTILIO_DEFN\n USE PA_GLOBAL ! Mech data used \n USE PA_VARS, Only: NIRROUT\n USE PA_DEFN\n USE PA_PARSE\n\n IMPLICIT NONE\n \nC Includes: None\n \nC Arguments:\n CHARACTER( 16 ) :: LASTCMND ! Previous command\n \nC Parameters: None\n\nC External Functions: None\n\nC Local Variables:\n CHARACTER( 1 ) :: APOSTROPHE = \"'\"\n\nC-----------------------------------------------------------------------\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Make sure the = sign is there\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( CHR .NE. '=' ) THEN\n WRITE( MSG, 94000 ) \n CALL M3MESG( MSG )\n WRITE( MSG, 94500 ) LINNUM, INBUF\n CALL M3MESG( MSG )\n WRITE( MSG, 94520 ) CHR\n CALL M3MESG( MSG )\n CALL M3EXIT( 'GETDESC', IZERO, IZERO, ' ', XSTAT2 )\n ELSE\n CALL GETCHR\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Check for a leading apostrophe and get the description\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( CHR .NE. APOSTROPHE ) THEN\n WRITE( MSG, 94020 ) \n CALL M3MESG( MSG )\n WRITE( MSG, 94500 ) LINNUM, INBUF\n CALL M3MESG( MSG )\n WRITE( MSG, 94520 ) CHR\n CALL M3MESG( MSG )\n CALL M3EXIT( 'GETDESC', IZERO, IZERO, ' ', XSTAT2 )\n ELSE\n CALL GETQUOTE\n IF ( LASTCMND .EQ. 'IRR_OUTPUT' ) THEN\n IRRDESC( NIRROUT ) = QUOTE\n ELSE\n WRITE( MSG, 94600 ) \n CALL M3MESG( MSG )\n WRITE( MSG, 94500 ) LINNUM, INBUF\n CALL M3MESG( MSG )\n END IF\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Check for the ending semicolon\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( CHR .NE. ';' ) THEN\n WRITE( MSG, 94040 ) \n CALL M3MESG( MSG )\n WRITE( MSG, 94500 ) LINNUM, INBUF\n CALL M3MESG( MSG )\n WRITE( MSG, 94520 ) CHR\n CALL M3MESG( MSG )\n CALL M3EXIT( 'GETDESC', IZERO, IZERO, ' ', XSTAT2 )\n ELSE\n CALL GETCHR\n RETURN\n END IF\n \nC----------------------- FORMAT Statements ----------------------------- \n \n94000 FORMAT( 'ERROR: Equal sign must follow the DESCRIPTION command' )\n94020 FORMAT( 'ERROR: Apostrophe expected after the = sign in the',\n & ' DESCRIPTION command' )\n94040 FORMAT( 'ERROR: The DESCRIPTION command must be terminated by a ;' )\n94500 FORMAT( ' Line No. ', I4, ': ', A )\n94520 FORMAT( ' Character found: ', A )\n94600 FORMAT( 'WARNING: DESCRIPTION command ignored, does not follow',\n & ' an IRR_OUTPUT command' )\n\n END SUBROUTINE GETDESC\n" }, { "path": "CCTM/src/procan/pa/pa_getfamily.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE GETFAMILY\n\nC-----------------------------------------------------------------------\nC Function: To process the DEFINE FAMILY command\n \nC Preconditions: None\n \nC Key Subroutines/Functions Called: GETCHR\nC GETWORD\n \nC Revision History:\nC Prototype created by Jerry Gipson, August, 1996\nC Modified May, 1997 by Jerry Gipson to be consistent with beta CTM\nC Modified Sept, 1997 by Jerry Gipson to be consistent with targeted CTM\nC Aug 2011 Jeff Young: Replaced I/O API include files with IOAPI's M3UTILIO\nC Sep 2018 C. Nolte, S. Roselle: replace M3UTILIO with UTILIO_DEFN\nC-----------------------------------------------------------------------\n \n USE UTILIO_DEFN\n USE PA_VARS\n USE PA_PARSE\n\n IMPLICIT NONE\n \nC Includes: None\n \nC Arguments: None\n \nC Parameters: None\n\nC External Functions: None\n\nC Local Variables:\n INTEGER MEMNUM ! Counter for number of members in the family\n \nC-----------------------------------------------------------------------\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get the name of the Family and check for a trailing equal sign\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n NFAMLYS = NFAMLYS + 1\n MEMNUM = 0\n IF ( NFAMLYS .GT. MAXFAMLYS ) THEN\n WRITE( MSG, 94000 )\n CALL M3MESG( MSG )\n WRITE( MSG, 94020 ) MAXFAMLYS\n CALL M3MESG( MSG )\n CALL M3EXIT( 'GETFAMILY', IZERO, IZERO, ' ', XSTAT2 )\n END IF\n\n CALL GETWORD\n FAMNAME( NFAMLYS ) = WORD\n\n IF ( CHR .NE. '=' ) THEN\n WRITE( MSG, 94040 ) \n CALL M3MESG( MSG )\n WRITE( MSG, 94500 ) LINNUM, INBUF\n CALL M3MESG( MSG )\n WRITE( MSG, 94520 ) CHR\n CALL M3MESG( MSG )\n CALL M3EXIT( 'GETFAMILY', IZERO, IZERO,' ', XSTAT2 )\n ELSE\n CALL GETCHR\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Top of loop for getting the family member names and coefficients\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n20 CONTINUE\n MEMNUM = MEMNUM + 1\n\n IF ( MEMNUM .GT. MAXFAMMEM ) THEN\n WRITE( MSG, 94060 ) \n CALL M3MESG( MSG )\n WRITE( MSG, 94500 ) LINNUM, INBUF\n CALL M3MESG( MSG )\n WRITE( MSG, 94080 ) MAXFAMMEM\n CALL M3MESG( MSG )\n CALL M3EXIT( 'GETFAMILY', IZERO, IZERO, ' ', XSTAT2 )\n END IF\n\nc..Set the coefficient for family member \n CALL GETCOEF( FAMSC( NFAMLYS, MEMNUM ) ) \n\nc..Get the name of the family member\n CALL GETWORD\n FAMMEMNAM( NFAMLYS, MEMNUM ) = WORD\n NUMFAMMEM( NFAMLYS ) = MEMNUM \n\nc..Go back and get the next family member, return, or err off \n IF ( CHR .EQ. '+' .OR. CHR .EQ. '-' ) THEN\n GO TO 20\n ELSE IF ( CHR .EQ. ';' ) THEN\n CALL GETCHR\n RETURN\n ELSE\n WRITE( MSG, 94100 ) \n CALL M3MESG( MSG )\n WRITE( MSG, 94500 ) LINNUM, INBUF\n CALL M3MESG( MSG )\n WRITE( MSG, 94520 ) CHR\n CALL M3MESG( MSG )\n CALL M3EXIT( 'GETFAMILY', IZERO, IZERO, ' ', XSTAT2 ) \n END IF\n\nC----------------------- FORMAT Statements -----------------------------\n\n94000 FORMAT( 'ERROR: Maximum number of FAMILY''s exceeded' )\n94020 FORMAT( ' Modify PARAMETER ( MAXFAMLYS =', I3,' ) or',\n & ' decrease the number of defined FAMILY''s' ) \n94040 FORMAT( 'ERROR: Equal sign expected after FAMILY name' )\n94060 FORMAT( 'ERROR: Maximum number of family members exceeded' )\n94080 FORMAT( ' Modify PARAMETER ( MAXFAMMEM =',I3, ' ) or',\n & ' decrease the number of members in the family' )\n94100 FORMAT( 'ERROR: A +, -, or ; must follow a family member name' )\n94500 FORMAT( ' Line No. ', I4, ':', A )\n94520 FORMAT( ' Character found:', A )\n\n END SUBROUTINE GETFAMILY\n" }, { "path": "CCTM/src/procan/pa/pa_getiprout.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE GETIPROUT\n\nC-----------------------------------------------------------------------\nC Function: To process the IPR_OUTPUT option \n \nC Preconditions: None\n \nC Key Subroutines/Functions Called: GETCHR\nC GETWORD\n \nC Revision History:\nC Prototype created by Jerry Gipson, August, 1996\nC Modified May, 1997 by Jerry Gipson to be consistent with beta CTM\nC Modified Sept, 1997 by Jerry Gipson to be consistent with targeted CTM\nC Aug 2011 Jeff Young: Replaced I/O API include files with IOAPI's M3UTILIO\nC Sep 2018 C. Nolte, S. Roselle: replace M3UTILIO with UTILIO_DEFN\nC-----------------------------------------------------------------------\n \n USE UTILIO_DEFN\n USE PA_DEFN, Only: N_IPR_SPC\n USE PA_IPRVARS\n USE PA_PARSE\n\n IMPLICIT NONE\n \nC Includes: None\n \nC Arguments: None\n \nC Parameters: None\n\nC External Functions: None\n\nC Local Variables:\n CHARACTER( 16 ) :: PNAME = 'GETIPROUT' ! Program name\n\nC-----------------------------------------------------------------------\n\nc..Increment the counter and check for too many\n N_IPR_SPC = N_IPR_SPC + 1\n N_IPR_OPS( N_IPR_SPC ) = 0\n IF ( N_IPR_SPC .GT. MAXIPRSPC ) THEN\n WRITE( MSG, 94000 ) \n CALL M3MESG( MSG )\n WRITE( MSG, 94500 ) LINNUM, INBUF\n CALL M3MESG( MSG )\n WRITE( MSG, 94020 ) MAXIPRSPC\n CALL M3MESG( MSG )\n CALL M3EXIT( PNAME, IZERO, IZERO, ' ', XSTAT2 )\n END IF\n\nc..get the name of the species for IPR_OUTPUT\n CALL GETWORD\n IPR_SPNAM( N_IPR_SPC ) = WORD\n\nc..if the next character is a semicolon, return\n IF ( CHR .EQ. ';' ) THEN\n CALL GETCHR\n RETURN\n END IF\n\nc..the next character must be an equal sign\n IF ( CHR .EQ. '=' ) THEN\n CALL GETCHR \n ELSE\n WRITE( MSG, 94040 ) \n CALL M3MESG( MSG )\n WRITE( MSG, 94500 ) LINNUM, INBUF\n CALL M3MESG( MSG )\n WRITE( MSG, 94520 ) CHR\n CALL M3MESG( MSG )\n CALL M3EXIT( PNAME, IZERO, IZERO, ' ', XSTAT2 )\n END IF\n\nc..top of loop for getting operators for this species\n20 CONTINUE\n\nc..increment the counters and check for too many\n IF ( CHR .EQ. '+' ) CALL GETCHR\n N_IPR_OPS( N_IPR_SPC ) = N_IPR_OPS( N_IPR_SPC ) + 1\n\n IF ( N_IPR_OPS( N_IPR_SPC ) .GT. MAXTERMS ) THEN\n WRITE( MSG, 94060 ) \n CALL M3MESG( MSG )\n WRITE( MSG, 94500 ) LINNUM, INBUF\n CALL M3MESG( MSG )\n WRITE( MSG, 94080 ) MAXTERMS\n CALL M3MESG( MSG )\n CALL M3EXIT( PNAME, IZERO, IZERO, ' ', XSTAT2 )\n END IF\n\nc..get the operator name\n CALL GETWORD\n IPR_OPNAME( N_IPR_SPC, N_IPR_OPS( N_IPR_SPC ) ) = WORD\n\nc..if more operators, go back or return or err off\n IF ( CHR .EQ. '+' ) THEN\n GO TO 20\n ELSE IF ( CHR .EQ. ';' ) THEN\n CALL GETCHR\n RETURN\n ELSE\n WRITE( MSG, 94100 ) \n CALL M3MESG( MSG )\n WRITE( MSG, 94500 ) LINNUM, INBUF\n CALL M3MESG( MSG )\n WRITE( MSG, 94520 ) CHR\n CALL M3MESG( MSG )\n CALL M3EXIT( PNAME, IZERO, IZERO, ' ', XSTAT2 )\n END IF\n\nC----------------------- FORMAT Statements -----------------------------\n\n94000 FORMAT( 'ERROR: Maximum number of PA species exceeded' )\n94020 FORMAT( ' Modify PARAMETER ( MAXIPRSPC =', I3,' ) or',\n & ' decrease the number of PA species' )\n94040 FORMAT( 'ERROR: Expecting a = or ; after IPR_OUTPUT species',\n & ' name' ) \n94060 FORMAT( 'ERROR: Maximum number of terms in a PROC_OUTPUT',\n & ' exceeded' )\n94080 FORMAT( ' Modify PARAMETER ( MAXTERMS =', I3,' ) or',\n & ' decrease the number of terms in the',\n & ' IPR_OUTPUT request' )\n94100 FORMAT( 'ERROR: Expecting a + or ; after a IPR_OUTPUT operator' )\n94500 FORMAT( ' Line No. ', I4, ': ', A )\n94520 FORMAT( ' Character found: ', A )\n\n END SUBROUTINE GETIPROUT\n\n" }, { "path": "CCTM/src/procan/pa/pa_getirrout.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE GETIRROUT\n\nC-----------------------------------------------------------------------\nC Function: To process the IRR_OUTPUT option \n \nC Preconditions: None\n \nC Key Subroutines/Functions Called: GETCHR\nC GETWORD\nC GETCOEF\n \nC Revision History:\nC Prototype created by Jerry Gipson, August, 1996\nC Modified May, 1997 by Jerry Gipson to be consistent with beta CTM\nC Modified Sept, 1997 by Jerry Gipson to be consistent with targeted CTM\nC Aug 2011 Jeff Young: Replaced I/O API include files with IOAPI`s M3UTILIO\nC Sep 2018 C. Nolte, S. Roselle: replace M3UTILIO with UTILIO_DEFN\nC-----------------------------------------------------------------------\n USE UTILIO_DEFN\n USE PA_GLOBAL ! Mech and Grid data used \n USE PA_VARS\n USE PA_DEFN\n USE PA_PARSE\n\n IMPLICIT NONE\n \nC Includes: None\n \nC Arguments: None\n \nC Parameters: None\n\nC External Functions: None\n\nC Local Variables:\n INTEGER :: TERMNUM ! Counter for number of terms in cycle\n\nC-----------------------------------------------------------------------\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get assigned name and check for = sign delimiter\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n NIRROUT = NIRROUT + 1\n IF ( NIRROUT .GT. MAXIRROUT ) THEN\n WRITE( MSG, 94000 ) \n CALL M3MESG( MSG )\n WRITE( MSG, 94500 ) LINNUM, INBUF\n CALL M3MESG( MSG )\n WRITE( MSG, 94020 ) MAXIRROUT\n CALL M3MESG( MSG )\n CALL M3EXIT( 'GETIRROUT', IZERO, IZERO, ' ', XSTAT2 )\n END IF\n\n CALL GETWORD\n! IRRNAME( NIRROUT ) = WORD\n! IRRDESC( NIRROUT ) = WORD\n IRRNAME_TMP( NIRROUT ) = WORD\n IRRDESC_TMP( NIRROUT ) = WORD\n\n IF ( CHR .NE. '=' ) THEN\n WRITE( MSG, 94040 ) \n CALL M3MESG( MSG )\n WRITE( MSG, 94500 ) LINNUM, INBUF\n CALL M3MESG( MSG )\n WRITE( MSG, 94520 ) CHR\n CALL M3MESG( MSG )\n CALL M3EXIT( 'GETIRROUT', IZERO, IZERO, ' ', XSTAT2 )\n ELSE\n CALL GETCHR\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Top of loop on terms in output command\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n TERMNUM = 0\n20 CONTINUE\n TERMNUM = TERMNUM + 1\n IF ( TERMNUM .GT. MAXOUTTERMS ) THEN\n WRITE( MSG, 94060 ) \n CALL M3MESG( MSG )\n WRITE( MSG, 94500 ) LINNUM, INBUF\n CALL M3MESG( MSG )\n WRITE( MSG, 94080 ) MAXOUTTERMS\n CALL M3MESG( MSG )\n CALL M3EXIT( 'GETIRROUT', IZERO, IZERO, ' ', XSTAT2 )\n END IF \n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get the term`s coefficient if there is one\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n CALL GETCOEF( OUTSC( NIRROUT, TERMNUM ) )\n OUTPNFLAG( NIRROUT, TERMNUM ) = ''\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Reaction rate term\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( CHR .EQ. '<' ) THEN\n OUTTYPE( NIRROUT, TERMNUM ) = 'RXN'\n CALL GETLABEL\n OUTRXLBL( NIRROUT, TERMNUM ) = LABEL\n ELSE\n CALL GETWORD\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Production term\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( WORD .EQ. 'PROD' .OR. WORD .EQ. 'NETP' ) THEN\n OUTTYPE( NIRROUT, TERMNUM ) = WORD\n IF ( CHR .EQ. '[' ) THEN\n CALL GETLABEL\n OUTSPEC1( NIRROUT, TERMNUM ) = LABEL\n ELSE\n WRITE( MSG, 94100 ) \n CALL M3MESG( MSG )\n WRITE( MSG, 94500 ) LINNUM, INBUF\n CALL M3MESG( MSG )\n WRITE( MSG, 94520 ) CHR\n CALL M3MESG( MSG )\n CALL M3EXIT( 'GETIRROUT', IZERO, IZERO, ' ', XSTAT2 )\n END IF\n\nc..FROM option\n OUTSPEC2( NIRROUT, TERMNUM ) = ''\n IF ( CHR .EQ. 'F' ) THEN\n CALL GETWORD\n IF ( WORD .NE. 'FROM' ) THEN\n WRITE( MSG, 94120 ) \n CALL M3MESG( MSG )\n WRITE( MSG, 94500 ) LINNUM, INBUF\n CALL M3MESG( MSG )\n WRITE( MSG, 94540 ) WORD\n CALL M3MESG( MSG )\n CALL M3EXIT( 'GETIRROUT', IZERO, IZERO, ' ', XSTAT2 )\n END IF\n IF ( CHR .EQ. '[' ) THEN\n CALL GETLABEL\n OUTSPEC2( NIRROUT, TERMNUM ) = LABEL\n ELSE\n WRITE( MSG, 94100 ) \n CALL M3MESG( MSG )\n WRITE( MSG, 94500 ) LINNUM, INBUF\n CALL M3MESG( MSG )\n WRITE( MSG, 94520 ) CHR\n CALL M3MESG( MSG )\n CALL M3EXIT( 'GETIRROUT', IZERO, IZERO, ' ', XSTAT2 )\n END IF\n END IF\n\n OUTOP2( NIRROUT, TERMNUM ) = ''\n OUTSPEC3( NIRROUT, TERMNUM ) = ''\n\nc..AND/OR operator \n IF ( CHR .EQ. 'A' .OR. CHR .EQ. 'O' ) THEN\n CALL GETWORD\n IF ( WORD .NE. 'AND' .AND. WORD .NE. 'OR' ) THEN\n WRITE( MSG, 94140 ) \n CALL M3MESG( MSG )\n WRITE( MSG, 94500 ) LINNUM, INBUF\n CALL M3MESG( MSG )\n WRITE( MSG, 94540 ) WORD\n CALL M3MESG( MSG )\n CALL M3EXIT( 'GETIRROUT', IZERO, IZERO, ' ', XSTAT2 )\n ELSE\n OUTOP2( NIRROUT, TERMNUM ) = WORD\n IF ( CHR .EQ. '[' ) THEN\n CALL GETLABEL\n OUTSPEC3( NIRROUT, TERMNUM ) = LABEL\n ELSE\n WRITE( MSG, 94100 ) \n CALL M3MESG( MSG )\n WRITE( MSG, 94500 ) LINNUM, INBUF\n CALL M3MESG( MSG )\n WRITE( MSG, 94520 ) CHR\n CALL M3MESG( MSG )\n CALL M3EXIT( 'GETIRROUT', IZERO, IZERO, ' ', XSTAT2 )\n END IF\n END IF\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Loss Term\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n ELSE IF ( WORD .EQ. 'LOSS' .OR. WORD .EQ. 'NETL' ) THEN\n OUTTYPE( NIRROUT, TERMNUM ) = WORD\n IF ( CHR .EQ. '[' ) THEN\n CALL GETLABEL\n OUTSPEC1( NIRROUT, TERMNUM ) = LABEL\n ELSE\n WRITE( MSG, 94100 ) \n CALL M3MESG( MSG )\n WRITE( MSG, 94500 ) LINNUM, INBUF\n CALL M3MESG( MSG )\n WRITE( MSG, 94520 ) CHR\n CALL M3MESG( MSG )\n CALL M3EXIT( 'GETIRROUT', IZERO, IZERO, ' ', XSTAT2 )\n END IF\n\n OUTOP2( NIRROUT, TERMNUM ) = ''\n OUTSPEC2( NIRROUT, TERMNUM ) = ''\n OUTSPEC3( NIRROUT, TERMNUM ) = ''\n\nc..AND/OR operator \n IF ( CHR .EQ. 'A' .OR. CHR .EQ. 'O' ) THEN\n CALL GETWORD\n IF ( WORD .NE. 'AND' .AND. WORD. NE. 'OR' ) THEN\n WRITE( MSG, 94140 ) \n CALL M3MESG( MSG )\n WRITE( MSG, 94500 ) LINNUM, INBUF\n CALL M3MESG( MSG )\n WRITE( MSG, 94540 ) WORD\n CALL M3MESG( MSG )\n CALL M3EXIT( 'GETIRROUT', IZERO, IZERO, ' ', XSTAT2 )\n ELSE\n OUTOP2( NIRROUT, TERMNUM ) = WORD\n IF ( CHR .EQ. '[' ) THEN\n CALL GETLABEL\n OUTSPEC3( NIRROUT, TERMNUM ) = LABEL\n ELSE\n WRITE( MSG, 94100 ) \n CALL M3MESG( MSG )\n WRITE( MSG, 94500 ) LINNUM, INBUF\n CALL M3MESG( MSG )\n WRITE( MSG, 94520 ) CHR\n CALL M3MESG( MSG )\n CALL M3EXIT( 'GETIRROUT', IZERO, IZERO, ' ', XSTAT2 )\n END IF\n END IF\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Net Term\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n ELSE IF ( WORD .EQ. 'NET' ) THEN\n OUTTYPE( NIRROUT, TERMNUM ) = 'NET'\n OUTOP2( NIRROUT, TERMNUM ) = ''\n OUTSPEC2( NIRROUT, TERMNUM ) = ''\n OUTSPEC3( NIRROUT, TERMNUM ) = ''\n IF ( CHR .EQ. '[' ) THEN\n CALL GETLABEL\n OUTSPEC1( NIRROUT, TERMNUM ) = LABEL\n ELSE\n WRITE( MSG, 94100 ) \n CALL M3MESG( MSG )\n WRITE( MSG, 94500 ) LINNUM, INBUF\n CALL M3MESG( MSG )\n WRITE( MSG, 94520 ) CHR\n CALL M3MESG( MSG )\n CALL M3EXIT( 'GETIRROUT', IZERO, IZERO, ' ', XSTAT2 )\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc The term must be a predefined name\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n ELSE\n OUTTYPE( NIRROUT, TERMNUM ) = 'NAME' \n OUTSPEC1( NIRROUT, TERMNUM ) = WORD\n IF ( CHR .EQ. '[' ) THEN\n CALL GETLABEL\n IF ( LABEL .NE. 'POSONLY' .AND. LABEL .NE. 'NEGONLY' ) \n & THEN\n WRITE( MSG, 94180 ) \n CALL M3MESG( MSG )\n WRITE( MSG, 94500 ) LINNUM, INBUF\n CALL M3MESG( MSG )\n WRITE( MSG, 94540 ) LABEL\n CALL M3MESG( MSG )\n CALL M3EXIT( 'GETIRROUT', IZERO, IZERO, ' ', XSTAT2 )\n ELSE \n OUTPNFLAG( NIRROUT, TERMNUM ) = LABEL\n END IF\n END IF\n END IF\n END IF\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Go back and get the next operator, return, or err off\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( CHR .EQ. '+' .OR. CHR .EQ. '-' ) THEN\n GO TO 20\n ELSE IF ( CHR .EQ. ';' ) THEN\n NIRRTERMS( NIRROUT ) = TERMNUM\n CALL GETCHR\n RETURN\n ELSE\n WRITE( MSG, 94200 ) \n CALL M3MESG( MSG )\n WRITE( MSG, 94500 ) LINNUM, INBUF\n CALL M3MESG( MSG )\n WRITE( MSG, 94520 ) CHR\n CALL M3MESG( MSG )\n CALL M3EXIT( 'GETIRROUT', IZERO, IZERO, ' ', XSTAT2 )\n END IF \n\nC----------------------- FORMAT Statements -----------------------------\n\n94000 FORMAT( 'ERROR: Maximum number of IRR_OUTPUTs exceeded' )\n94020 FORMAT( ' Modify PARAMETER ( MAXIRROUT =', I3,' ) or',\n & ' decrease the number of IRR_OUTPUT requests' )\n94040 FORMAT( 'ERROR: Equal sign expected after IRR_OUTPUT name' )\n94060 FORMAT( 'ERROR: Maximum number of terms in an IRR_OUTPUT exceeded' )\n94080 FORMAT( ' Modify PARAMETER ( MAXOUTTERMS =', I3,' ) or', \n & ' decrease the number of terms in IRR_OUTPUT' )\n\n94100 FORMAT( 'ERROR: A [ must follow PROD/LOSS/NET operators or',\n & ' FROM/AND/OR options' )\n94120 FORMAT( 'ERROR: Only the FROM option can follow the PROD/NETP',\n & ' operators' ) \n94140 FORMAT( 'ERROR: Only the AND/OR options can follow the FROM',\n & ' option' )\n94160 FORMAT( 'ERROR: Only the AND/OR options can follow the LOSS',\n & ' operator' )\n94180 FORMAT( 'ERROR: Only POSONLY/NEGONLY options can follow defined',\n & ' names' )\n94200 FORMAT( 'ERROR: Expecting a +, -, or ; after an IRR_OUTPUT term' ) \n\n94500 FORMAT( ' Line No. ', I4, ': ', A )\n94520 FORMAT( ' Character found: ', A )\n94540 FORMAT( ' Word found: ', A )\n\n END SUBROUTINE GETIRROUT\n\n" }, { "path": "CCTM/src/procan/pa/pa_getrxns.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE GETRXNS( NOUT, NTERM, NR, RXNUM, COEFF, LRXINC )\n\nC-----------------------------------------------------------------------\nC Function: To get the reaction numbers and coefficients for the\nC PROD/LOSS/NET operators\n \nC Preconditions: None\n \nC Key Subroutines/Functions Called: None\n \nC Revision History:\nC Prototype created by Jerry Gipson, August, 1996\nC Modified May, 1997 by Jerry Gipson to be consistent with beta CTM\nC Modified Sept, 1997 by Jerry Gipson to be consistent with targeted CTM\nC Aug 2011 Jeff Young: Replaced I/O API include files with IOAPI's M3UTILIO\nC Sep 2018 C. Nolte: remove unused M3UTILIO \nC-----------------------------------------------------------------------\n\n USE PA_GLOBAL ! Mech data used \n USE PA_VARS\n USE PA_PARSE\n\n IMPLICIT NONE\n \nC Includes: None\n \nC Arguments:\n INTEGER NOUT ! The incoming output number\n INTEGER NTERM ! The incoming term number in the output list\n INTEGER NR ! The outgoing number of reactions found\n INTEGER :: RXNUM ( MXRXNS ) ! The reaction numbers found\n REAL :: COEFF ( MXRXNS ) ! The coefficients of the reactions found\n LOGICAL :: LRXINC( MXRXNS ) ! Flag to include reaction in prod,\n ! loss, or net operations\n \nC Parameters: None\n\nC External Functions: \n\n REAL MOLCLOSS ! Function to get number of species or \n ! family molecules lost in a reaction\n REAL MOLCPROD ! Function to get number of species or \n ! family molecules produced in a reaction\n\nC Local Variables:\n\n CHARACTER( 4 ) :: NAMETYPE ! Type of name (mech or family)\n CHARACTER( 4 ) :: TYPE ! Type of term\n CHARACTER( 11 ) :: SP1 ! Species name holder\n CHARACTER( 11 ) :: SP2 ! species name holder\n\n INTEGER INDX ! Holder for pointer \n INTEGER NPFND ! Number of reactant species found\n INTEGER NRFND ! Number of reactant species found\n INTEGER NRFND1 ! Holder for number of reactant species found\n INTEGER NRX ! Loop index for number of reactions\n\n LOGICAL LINCL ! Flag to include reaction in output\n LOGICAL LTEST1, LTEST2 ! Flags to indicate that test passed\n\n REAL COEF ! Coefficient for product or reactant \n REAL COEF2 ! Coefficient for reactant for LOSS/OR operator\n REAL SUM ! Sum of molecular production and loss\n \nC-----------------------------------------------------------------------\n\n TYPE = OUTTYPE( NOUT,NTERM )\n NR = 0\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Do the production operator\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( TYPE .EQ. 'PROD' .OR. TYPE .EQ. 'NETP' ) THEN\n\n DO 20 NRX = 1, NRXNS\n\nc..Skip the reaction if it is in a cycle or the species is not produced\n IF ( .NOT. LRXINC( NRX ) ) GO TO 20\n NAMETYPE = OUTS1TYP( NOUT,NTERM )\n INDX = OUTS1NUM( NOUT,NTERM )\n IF ( TYPE .EQ. 'PROD' ) THEN \n COEF = MOLCPROD( NAMETYPE, INDX, NRX, NPFND ) \n ELSE\n COEF = MOLCPROD( NAMETYPE, INDX, NRX, NPFND ) -\n & MOLCLOSS( NAMETYPE, INDX, NRX, NRFND )\n END IF\n IF ( COEF .LE. 0.0 ) GO TO 20\n\n NRFND1 = 0\n\nc..Set the test flag for the FROM operator\n LTEST1 = .FALSE.\n IF ( OUTSPEC2( NOUT,NTERM ) .EQ. '' ) THEN\n LTEST1 = .TRUE.\n ELSE\n NAMETYPE = OUTS2TYP( NOUT,NTERM )\n INDX = OUTS2NUM( NOUT,NTERM ) \n IF ( OUTSPEC2( NOUT,NTERM ) .NE. 'hv' ) THEN\n SUM = MOLCLOSS( NAMETYPE, INDX, NRX, NRFND )\n NRFND1 = NRFND\n IF ( NRFND .NE. 0 ) LTEST1 = .TRUE.\n ELSE\n IF ( BTEST( IRXBITS( NRX ), 1 ) ) LTEST1 = .TRUE.\n END IF\n END IF\n\nc..Set the test flag for the AND/OR operator \n LTEST2 = .FALSE.\n IF ( OUTSPEC3( NOUT,NTERM ) .EQ. '' ) THEN\n LTEST2 = .TRUE.\n ELSE\n SP1 = OUTSPEC2( NOUT,NTERM )\n SP2 = OUTSPEC3( NOUT,NTERM )\n NAMETYPE = OUTS3TYP( NOUT,NTERM )\n INDX = OUTS3NUM( NOUT, NTERM ) \n IF ( OUTSPEC3( NOUT,NTERM ) .NE. 'hv' ) THEN\n SUM = MOLCLOSS( NAMETYPE, INDX, NRX, NRFND )\n IF ( SP1 .NE. SP2 ) THEN\n IF ( NRFND .GT. 0 ) LTEST2 = .TRUE.\n ELSE\n NRFND = NRFND + NRFND1\n IF ( NRFND .GE. 4 ) LTEST2 = .TRUE.\n END IF\n ELSE\n IF ( BTEST( IRXBITS( NRX ), 1 ) ) LTEST2 = .TRUE.\n END IF\n END IF\n\nc..Determine whether this reaction is to be included\n LINCL = .FALSE.\n IF ( OUTSPEC2( NOUT,NTERM ) .EQ. '' ) THEN\n LINCL = .TRUE.\n ELSE \n IF ( OUTSPEC3( NOUT,NTERM ) .EQ. '' ) THEN\n IF ( LTEST1 ) LINCL = .TRUE.\n ELSE \n IF ( OUTOP2( NOUT,NTERM ) .EQ. 'OR' ) THEN\n IF ( LTEST1 .OR. LTEST2 ) LINCL = .TRUE.\n ELSE IF ( OUTOP2( NOUT,NTERM ) .EQ. 'AND' ) THEN\n IF ( LTEST1 .AND. LTEST2 ) LINCL = .TRUE. \n END IF\n END IF\n END IF\n \nc..Store reaction data for this term\n IF ( LINCL ) THEN\n NR = NR + 1\n RXNUM( NR ) = NRX\n COEFF( NR ) = COEF\n END IF\n20 CONTINUE\n RETURN\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Do the loss operator\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( TYPE .EQ. 'LOSS' .OR. TYPE .EQ. 'NETL' ) THEN\n NRFND1 = 0\n DO 40 NRX = 1, NRXNS\n\nc..Skip the reaction if it is in a cycle and set test1 flag\n IF ( .NOT. LRXINC( NRX ) ) GO TO 40\n LTEST1 = .TRUE.\n NAMETYPE = OUTS1TYP( NOUT,NTERM )\n INDX = OUTS1NUM( NOUT, NTERM )\n COEF = MOLCLOSS( NAMETYPE, INDX, NRX, NRFND ) -\n & MOLCPROD( NAMETYPE, INDX, NRX, NPFND )\n IF ( TYPE .EQ. 'LOSS' .AND. NRFND .GT. 0 ) COEF = 1.0\n IF ( COEF .LE. 0.0 ) LTEST1 = .FALSE.\n\nc..Set the test flag for the AND/OR operator \n LTEST2 = .FALSE.\n IF ( OUTSPEC3( NOUT,NTERM ) .EQ. '' ) THEN\n LTEST2 = .TRUE.\n ELSE\n SP1 = OUTSPEC1( NOUT,NTERM )\n SP2 = OUTSPEC3( NOUT,NTERM )\n NAMETYPE = OUTS3TYP( NOUT,NTERM )\n INDX = OUTS3NUM( NOUT,NTERM ) \n IF ( OUTSPEC3( NOUT,NTERM ) .NE. 'hv' ) THEN\n COEF2 = MOLCLOSS( NAMETYPE, INDX, NRX, NRFND ) -\n & MOLCPROD( NAMETYPE, INDX, NRX, NPFND )\n IF ( TYPE .EQ. 'LOSS' .AND. NRFND .GT. 0 ) COEF2 = 1.0\n IF ( SP1 .NE. SP2 ) THEN\n IF ( NRFND .GT. 0 ) LTEST2 = .TRUE.\n ELSE\n NRFND = NRFND + NRFND1\n IF ( NRFND .GE. 4 ) LTEST2 = .TRUE.\n END IF\n ELSE\n IF ( BTEST( IRXBITS( NRX ), 1 ) ) LTEST2 = .TRUE.\n END IF\n END IF\n\nc..Determine whether this reaction is to be included\n LINCL = .FALSE.\n IF ( OUTSPEC3( NOUT,NTERM ) .EQ. '' ) THEN\n IF ( LTEST1 ) LINCL = .TRUE.\n ELSE \n IF ( OUTOP2( NOUT,NTERM ) .EQ. 'OR' ) THEN\n IF ( LTEST1 .OR. LTEST2 ) LINCL = .TRUE.\n IF ( LINCL .AND. .NOT. LTEST1 ) COEF = COEF2\n ELSE IF ( OUTOP2( NOUT,NTERM ) .EQ. 'AND' ) THEN\n IF ( LTEST1 .AND. LTEST2 ) LINCL = .TRUE. \n END IF\n END IF\n\nc..Store reaction data for this term\n IF ( LINCL ) THEN\n NR = NR + 1\n RXNUM( NR ) = NRX\n COEFF( NR ) = COEF\n END IF\n40 CONTINUE\n RETURN\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Do the net operator\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( TYPE .EQ. 'NET' ) THEN\n DO 60 NRX = 1, NRXNS\n\nc..Skip the reaction if it is in a cycle and set test1 flag\n IF ( .NOT. LRXINC( NRX ) ) GO TO 60\n LTEST1 = .TRUE.\n NAMETYPE = OUTS1TYP( NOUT,NTERM )\n INDX = OUTS1NUM( NOUT,NTERM )\n COEF = MOLCPROD( NAMETYPE, INDX, NRX, NPFND ) -\n & MOLCLOSS( NAMETYPE, INDX, NRX, NRFND )\n IF ( COEF .NE. 0.0 ) THEN\n NR = NR + 1\n RXNUM( NR ) = NRX\n COEFF( NR ) = COEF\n END IF\n60 CONTINUE\n RETURN\n END IF \n\n RETURN\n\n END SUBROUTINE GETRXNS\n" }, { "path": "CCTM/src/procan/pa/pa_getrxnsum.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE GETRXNSUM\n\nC-----------------------------------------------------------------------\n \nC FUNCTION: To process the DEFINE RXNSUM command \n \nC PRECONDITIONS: None\n \nC KEY SUBROUTINES/FUNCTIONS CALLED: GETCHR\nC GETWORD\nC GETCOEF\nC GETLABEL\n \nC REVISION HISTORY:\nC Prototype created by Jerry Gipson, August, 1996\nC Modified May, 1997 by Jerry Gipson to be consistent with beta CTM\nC Modified Sept, 1997 by Jerry Gipson to be consistent with targeted CTM\nC Aug 2011 Jeff Young: Replaced I/O API include files with IOAPI's M3UTILIO\nC Sep 2018 C. Nolte, S. Roselle: replace M3UTILIO with UTILIO_DEFN\nC-----------------------------------------------------------------------\n \n USE UTILIO_DEFN\n USE PA_GLOBAL ! Mech data used \n USE PA_VARS\n USE PA_PARSE\n\n IMPLICIT NONE\n \nC Includes: None\n\nC Arguments: None\n \nC Parameters: None\n\nC External Functions: None\n\nC Local Variables:\n INTEGER TERMNUM ! Counter for number of terms in sum\n \nC-----------------------------------------------------------------------\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get assigned name and check for = sign delimiter\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n NRXSUMS = NRXSUMS + 1\n IF ( NRXSUMS .GT. MAXRXNSUM ) THEN\n WRITE( MSG, 94000 ) \n CALL M3MESG( MSG ) \n WRITE( MSG, 94500 ) LINNUM, INBUF\n CALL M3MESG( MSG ) \n WRITE( MSG, 94020 ) MAXRXNSUM\n CALL M3MESG( MSG ) \n CALL M3EXIT( 'GETRXNSUM', IZERO, IZERO, ' ', XSTAT2 ) \n END IF\n\n TERMNUM = 0\n CALL GETWORD\n RXSUMNAME( NRXSUMS ) = WORD\n\n IF ( CHR .NE. '=' ) THEN\n WRITE( MSG, 94040 ) \n CALL M3MESG( MSG ) \n WRITE( MSG, 94500 ) LINNUM, INBUF\n CALL M3MESG( MSG ) \n WRITE( MSG, 94520 ) CHR\n CALL M3MESG( MSG ) \n CALL M3EXIT( 'GETRXNSUM', IZERO, IZERO, ' ', XSTAT2 ) \n ELSE\n CALL GETCHR\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Top of loop for getting all terms and their coefficients\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n20 CONTINUE\n TERMNUM = TERMNUM + 1\n\n IF ( TERMNUM .GT. MAXRXTERMS ) THEN\n WRITE( MSG, 94060 ) \n CALL M3MESG( MSG ) \n WRITE( MSG, 94500 ) LINNUM, INBUF\n CALL M3MESG( MSG ) \n WRITE( MSG, 94080 ) MAXRXTERMS\n CALL M3MESG( MSG ) \n CALL M3EXIT( 'GETRXNSUM', IZERO, IZERO, ' ', XSTAT2 ) \n END IF\n\nc..Get coefficient for the reaction\n CALL GETCOEF( RXNSC( NRXSUMS, TERMNUM ) ) \n\nc..Get the reaction label \n IF ( CHR .EQ. '<' ) THEN\n CALL GETLABEL\n RXSUMLBL( NRXSUMS, TERMNUM ) = LABEL\n ELSE\n WRITE( MSG, 94100 ) \n CALL M3MESG( MSG ) \n WRITE( MSG, 94500 ) LINNUM, INBUF\n CALL M3MESG( MSG ) \n WRITE( MSG, 94520 ) CHR\n CALL M3MESG( MSG ) \n CALL M3EXIT( 'GETRXNSUM', IZERO, IZERO, ' ', XSTAT2 ) \n END IF\n\nc..check for more terms or end delimiter \n IF ( CHR .EQ. '+' .OR. CHR .EQ. '-' ) THEN\n GO TO 20\n ELSE IF ( CHR .EQ. ';' ) THEN\n NRXTERMS( NRXSUMS ) = TERMNUM\n CALL GETCHR\n RETURN\n ELSE\n WRITE( MSG, 94120 ) \n CALL M3MESG( MSG ) \n WRITE( MSG, 94500 ) LINNUM, INBUF\n CALL M3MESG( MSG ) \n WRITE( MSG, 94520 ) CHR\n CALL M3MESG( MSG ) \n CALL M3EXIT( 'GETRXNSUM', IZERO, IZERO, ' ', XSTAT2 ) \n END IF\n \nC----------------------- FORMAT Statements -----------------------------\n\n94000 FORMAT( 'ERROR: Maximum number of RXNSUMs exceeded' ) \n94020 FORMAT( ' Modify PARAMETER ( MAXRXNSUM =', I3, ' )', \n & ' or decrease the number of RXNSUMs' ) \n94040 FORMAT( 'ERROR: Equal sign expected after RXNSUM name' ) \n94060 FORMAT( 'ERROR: Maximum number of terms in RXNSUM exceeded' ) \n94080 FORMAT( ' Modify PARAMETER ( MAXRXTERMS =', I3, ' )', \n & ' or decrease the number of terms in RXNSUM' ) \n94100 FORMAT( 'ERROR: Expecting a reaction label starting with a <' ) \n94120 FORMAT( 'ERROR: Expecting a + - or ; after a reaction label' ) \n\n94500 FORMAT( ' Line No. ', I4, ':', A ) \n94520 FORMAT( ' Character found:', A ) \n\n END SUBROUTINE GETRXNSUM\n" }, { "path": "CCTM/src/procan/pa/pa_init.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE PA_INIT( CGRID, SDATE, STIME, TSTEP )\n \nC-----------------------------------------------------------------------\n \nC Function: Create the Process Analysis ouput files and initialize\nC Process Analysis arrays \n \nC Preconditions: None\n \nC Key Subroutines/Functions Called: SUBST_PA_INDEX, SUBST_IRR_INDEX,\nC PA_MKHDR, SUBST_4D_DATA_COPY\n \nC Revision History:\nC Prototype created by Jerry Gipson, July, 1996\nC allow env var for file names Jeff, Dec, 1996\nC Changed CGOUT dimension parameter from NSPCSD to NSPCS -- Jerry Gipson, May, 1997.\nC Modified May, 1997 by Jerry Gipson to be consistent with beta CTM\nC Modified June 1997 by Jerry Gipson to change CGOUT to CGRID \nC Modified Sept, 1997 by Jerry Gipson to be consistent with targeted CTM\nC Modified Jun, 1998 by Jerry Gipson to add PA domain error check\nC Modified 1/19/99 by David Wong at LM:\nC -- add four include files because of new PA_CMN.EXT\nC -- modify PA_INDEX function call parameter list\nC -- add DATA_COPY function call to redistribute PA grid\nC Modified 2/26/99 by David Wong at LM:\nC -- remove SUBST_AE_SPC, SUBST_NR_SPC, SUBST_TR_SPC,\nC three .EXT files\nC -- call SUBST_IRR_INDEX to determine row, column, and\nC level loop indexes which are associated with IRR\nC calculations\nC -- renamed DATA_COPY function name\nC -- use ifdef statement to distinguish parallel\nC implementation of IRR calculation which does not \nC shift to the origin\nC Modified 4/12/00 by Jerry Gipson to correct units for aerosol IPRs writen to IO/API file\nC Modified 1 Jul 2000 by Jeff Young to allow for file updating - added PA_MKHDR\nC Modified 22 Nov 00 by J.Young: Dave Wong`s f90 stenex SUBGRID_INDEX and DATA_COPY\nC 6 Oct 01 J.Young: dyn alloc - generic CGRID declaration; Use PAGRD_DEFN,\nC which uses HGRD_DEFN; new pario\nC Modified 10 Oct 01 by David Wong\nC -- let other processors open PA output files after\nC processor has created them.\nC -- used a new formula to compute number of IPR and IRR \nC output files\nC 31 Jan 05 J.Young: dyn alloc - establish both horizontal & vertical\nC domain specifications in one module (GRID_CONF)\nC 16 Jan 06 J.Young: move PAGRD_INIT to par_init\nC 1 Apr 09 J.Young: remove cruft\nC 8 Jul 10 J.Young: restructure\nC 23 Jul 10 D.Wong: move first OPEN3 try inside IF ( MYPE .EQ. 0 ) clause\nC 16 Feb 11 S.Roselle: replaced I/O API include files with UTILIO_DEFN\nC 11 May 11 D.Wong: incorporated twoway model implementation\nC 16 Sep 16 J.Young: update for inline procan\nC-----------------------------------------------------------------------\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE PAGRD_DEFN ! PA horiz domain specs\n USE UTILIO_DEFN\n#ifndef mpas\n#ifdef parallel\n USE SE_MODULES ! stenex (using SE_UTIL_MODULE, SE_DATA_COPY_MODULE)\n#else\n USE NOOP_MODULES ! stenex (using NOOP_UTIL_MODULE, NOOP_DATA_COPY_MODULE)\n#endif\n#endif\n USE PA_DEFN ! Process Anaylsis control and data variables\n\n IMPLICIT NONE \n\nC..Includes:\n INCLUDE SUBST_FILES_ID ! file name parameters\n\nC..Arguments:\n REAL, POINTER :: CGRID( :,:,:,: )\n INTEGER, INTENT( IN ) :: SDATE ! starting date, format YYYYDDD\n INTEGER, INTENT( IN ) :: STIME ! starting time, format HHMMSS\n INTEGER, INTENT( IN ) :: TSTEP( 3 ) ! time step vector (HHMMSS)\n ! TSTEP(1) = local output step\n ! TSTEP(2) = sciproc sync. step (chem)\n ! TSTEP(3) = twoway model time step w.r.t. wrf time\n ! step and wrf/cmaq call frequency\n\nC..Parameters:\n\nC..External Functions: None\n\nC..Local Variables:\n CHARACTER( 16 ) :: ENV_DFLT ! Environment variable default value\n CHARACTER( 80 ) :: ENV_DESC ! Environment variab;e description\n CHARACTER( 16 ) :: OUTFNAME ! Assigned IPR or IRR output file name\n CHARACTER( 16 ) :: PNAME = 'PA_INIT' ! Routine Name\n CHARACTER( 128 ) :: XMSG = ' '\n CHARACTER( 256 ) :: RET_VAL ! Returned value of environment variable\n\n LOGICAL LSTOP ! Flag to stop because a PA file not assigned\n \n INTEGER C ! Loop index for columns\n INTEGER R ! Loop index for rows\n INTEGER L ! Loop index for layers\n INTEGER PC ! Index for PA output column\n INTEGER PL ! Index for PA output level\n INTEGER PR ! Index for PA output row\n INTEGER ICG ! Index for species in cgout array\n INTEGER NIRR ! Loop index for IRR outputs\n INTEGER NFL ! Loop index for no. of files\n INTEGER NOUT ! Loop index for process monitoring outputs\n INTEGER NUMFLS ! Number of PA or IRR output files needed\n INTEGER STATUS ! Status Code\n\nC-----------------------------------------------------------------------\n\n LSTOP = .FALSE. \n\n#ifndef mpas\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC Open the Integrated Process Rates output file(s) if needed\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n IF ( LIPR ) THEN\n\nC..compute the number of files needed\n\n NUMFLS = ( NIPRVAR - 1 ) / MXVARS3 + 1\n\nC..open each one \n DO NFL = 1, NUMFLS\n\n IF ( NFL .EQ. 1 ) THEN\n OUTFNAME = CTM_IPR_1\n ELSE IF ( NFL .EQ. 2 ) THEN\n OUTFNAME = CTM_IPR_2\n ELSE IF ( NFL .EQ. 3 ) THEN\n OUTFNAME = CTM_IPR_3\n ELSE IF ( NFL .GT. 3 ) THEN\n XMSG = 'Maximum number of IPR output files exceeded'\n CALL M3EXIT( PNAME, SDATE, STIME, XMSG, XSTAT1 )\n END IF\n\n ENV_DESC = 'IPR Output file ' // OUTFNAME \n ENV_DFLT = ' ' \n XMSG = 'IPR output file ' // TRIM( OUTFNAME ) // ' not assigned'\n CALL ENVSTR( OUTFNAME, ENV_DESC, ENV_DFLT, RET_VAL, STATUS)\n IF ( STATUS .NE. 0 ) CALL M3EXIT( PNAME, SDATE, STIME, XMSG, XSTAT1 )\n\n IF ( MYPE .EQ. 0 ) THEN\n\nC..try to open existing file for update\n IF ( .NOT. OPEN3( OUTFNAME, FSRDWR3, PNAME ) ) THEN\n\n XMSG = 'Could not open ' // TRIM( OUTFNAME )\n & // ' file for update - try to open new'\n CALL M3MESG( XMSG )\n\n CALL PA_MKHDR( 'IPR', NFL, OUTFNAME, SDATE, STIME, TSTEP )\n\n IF ( OPEN3( OUTFNAME, FSNEW3, PNAME ) ) THEN ! open new\n XMSG = 'Opened Integrated Reaction Rate Output File: '\n & // OUTFNAME\n CALL M3MESG( XMSG )\n ELSE\n XMSG = 'Could not open Integrated Process Rate Output File: ' \n & // OUTFNAME\n CALL M3EXIT( PNAME, SDATE, STIME, XMSG, XSTAT1 )\n END IF\n\n END IF\n\n END IF\n\n CALL SUBST_BARRIER\n\n END DO ! NUMFLS\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC Initialize arrays\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n DELC = 0.0\n\n END IF ! LIPR\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC Open the Integrated Reaction Rates output file(s) if needed\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n IF ( LIRR ) THEN\n\nC..compute the number of files needed\n\n NUMFLS = ( NIRRVAR - 1 ) / MXVARS3 + 1\n\nC..open each one\n DO NFL = 1, NUMFLS\n\n IF ( NFL .EQ. 1 ) THEN\n OUTFNAME = CTM_IRR_1\n ELSE IF ( NFL .EQ. 2 ) THEN\n OUTFNAME = CTM_IRR_2\n ELSE IF ( NFL .EQ. 3 ) THEN\n OUTFNAME = CTM_IRR_3\n ELSE IF ( NFL .GT. 3 ) THEN\n XMSG = 'Maximum number of IRR output files exceeded'\n CALL M3EXIT(PNAME, SDATE, STIME, XMSG, XSTAT2 )\n END IF\n\n ENV_DESC = 'IRR Output file ' // OUTFNAME \n ENV_DFLT = ' ' \n CALL ENVSTR( OUTFNAME, ENV_DESC, ENV_DFLT, RET_VAL, STATUS )\n XMSG = 'IRR output file ' // TRIM( OUTFNAME ) // ' not assigned'\n IF ( STATUS .NE. 0 ) CALL M3EXIT( PNAME, SDATE, STIME, XMSG, XSTAT1 )\n\n IF ( MYPE .EQ. 0 ) THEN\n\nC..try to open existing file for update\n IF ( .NOT. OPEN3( OUTFNAME, FSRDWR3, PNAME ) ) THEN\n\n XMSG = 'Could not open ' // TRIM( OUTFNAME )\n & // ' file for update - try to open new'\n CALL M3MESG( XMSG )\n\n CALL PA_MKHDR( 'IRR', NFL, OUTFNAME, SDATE, STIME, TSTEP )\n\n IF ( OPEN3( OUTFNAME, FSNEW3, PNAME ) ) THEN ! open new\n XMSG = 'Opened Integrated Reaction Rate Output File: '\n & // OUTFNAME\n CALL M3MESG( XMSG )\n ELSE\n XMSG = 'Could not open Integrated Reaction Rate Output'\n & // ' File ' // OUTFNAME\n CALL M3EXIT( PNAME, SDATE, STIME, XMSG, XSTAT1 )\n END IF\n\n END IF\n\n END IF\n\n CALL SUBST_BARRIER\n\n END DO ! NFL\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC Initialize arrays\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n IRROUT = 0.0\n\n END IF ! LIRR\n#endif\n\n RETURN\n END\n" }, { "path": "CCTM/src/procan/pa/pa_mkhdr.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC=======================================================================\n SUBROUTINE PA_MKHDR ( TYPE, NFL, OUTFNAME, SDATE, STIME, TSTEP )\n\nC 21 Jun 10 J.Young: convert for Namelist redesign\nC 16 Feb 11 S.Roselle: replaced I/O API include files with UTILIO_DEFN\nC 11 May 11 D.Wong: incorporated twoway model implementation\nC 16 Sep 16 J.Young: update for inline procan\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE CGRID_SPCS ! CGRID mechanism species\n USE UTILIO_DEFN\n USE PA_DEFN ! Process Anaylsis control and data variables\n USE PAGRD_DEFN ! PA horiz domain specs\n\n IMPLICIT NONE\n\nC used in pa_init\nC FIRSTIME gets some FDESC3 common variables from GRID_CONF to be used\nC for both IPR and IRR if needed.\n\nC Arguments:\n CHARACTER( 3 ) :: TYPE ! IPR or IRR\n INTEGER NFL ! file sequence no.\n CHARACTER( 16 ) :: OUTFNAME ! Assigned IPR or IRR output file name\n INTEGER SDATE ! starting date, format YYYYDDD\n INTEGER STIME ! starting time, format HHMMSS\n INTEGER TSTEP( 3 ) ! time step vector (HHMMSS)\n ! TSTEP(1) = local output step\n ! TSTEP(2) = sciproc sync. step (chem)\n ! TSTEP(3) = twoway model time step w.r.t. wrf time\n ! step and wrf/cmaq call frequency\n\nC Local Variables:\n INTEGER AE_INDX ! Index for aerosol species\n INTEGER IPRSPC ! Index for IPR species\n INTEGER PL ! Index for PA output level\n INTEGER VARINDX ! Index for output variable\n INTEGER L, NOUT ! Loop indicies\n INTEGER NSP, NPR ! Loop indices for finding IPR species\n INTEGER ICG ! species pointer\n\n CHARACTER( 16 ) :: PNAME = 'PA_MKHDR' ! Subroutine Name\n\nC-----------------------------------------------------------------------\n\n#ifndef mpas\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC Get file header description from GRID_CONF and reconfigure output domain\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n P_ALP3D = P_ALP_GD\n P_BET3D = P_BET_GD\n P_GAM3D = P_GAM_GD\n\n XCENT3D = XCENT_GD\n YCENT3D = YCENT_GD\n XORIG3D = XORIG_GD\n YORIG3D = YORIG_GD\n XCELL3D = XCELL_GD\n YCELL3D = YCELL_GD\n\n VGTYP3D = VGTYP_GD\n VGTOP3D = VGTOP_GD\n\n FTYPE3D = GRDDED3\n GDNAM3D = GDNAME_GD\n UPNAM3D = PNAME\n\n SDATE3D = SDATE\n STIME3D = STIME\n CALL NEXTIME( SDATE3D, STIME3D, TSTEP( 1 ) )\n TSTEP3D = TSTEP( 1 )\n\n NCOLS3D = PACOLS\n NROWS3D = PAROWS\n NLAYS3D = PALEVS\n\n XORIG3D = XORIG3D + DBLE( PA_BEGCOL - 1 ) * XCELL3D\n YORIG3D = YORIG3D + DBLE( PA_BEGROW - 1 ) * YCELL3D\n\n DO L = PA_BEGLEV, PA_ENDLEV + 1\n PL = L - PA_BEGLEV + 1\n VGLVS3D ( PL ) = VGLVS_GD( L )\n END DO\n\n IF ( TYPE .EQ. 'IPR' ) THEN\n\n FDESC3D( 1 ) = 'Integrated Process Rates Output File ' // OUTFNAME\n NVARS3D = MIN( MXVARS3 , ( NIPRVAR - ( NFL - 1 ) * MXVARS3 ) )\n\n DO NOUT = 1, NVARS3D\n VARINDX = ( NFL - 1 ) * MXVARS3 + NOUT\n VNAME3D( NOUT ) = IPRNAME( VARINDX )\n VTYPE3D( NOUT ) = M3REAL\n VDESC3D( NOUT ) = IPRDESC( VARINDX )\n\n ! Find the IPR species to set correct units descriptor\n IPRSPC = MAP_IPRVARtoSPC( VARINDX )\n ICG = MAP_IPRtoCGRID( IPRSPC, 1 )\n\n IF ( CGRID_MASK_NUM( ICG ) ) THEN\n UNITS3D( NOUT ) = 'm-3'\n ELSE IF ( CGRID_MASK_SRF( ICG ) ) THEN\n UNITS3D( NOUT ) = 'm2 m-3'\n ELSE IF ( CGRID_MASK_AERO( ICG ) ) THEN\n UNITS3D( NOUT ) = 'ug m-3'\n ELSE \n UNITS3D( NOUT ) = 'ppmV'\n END IF\n\n END DO\n\n ELSE IF ( TYPE .EQ. 'IRR' ) THEN\n\n FDESC3D( 1 ) = 'Integrated Reaction Rate Output File ' // OUTFNAME\n NVARS3D = MIN( MXVARS3 , ( NIRRVAR - ( ( NFL - 1 ) * MXVARS3 ) ) )\n\n DO NOUT = 1, NVARS3D\n VARINDX = ( NFL - 1 ) * MXVARS3 + NOUT\n VNAME3D( NOUT ) = IRRNAME( VARINDX )\n VTYPE3D( NOUT ) = M3REAL\n UNITS3D( NOUT ) = 'ppmV'\n VDESC3D( NOUT ) = IRRDESC( VARINDX )\n END DO\n\n ELSE\n\n CALL M3EXIT( PNAME, SDATE, STIME,\n & 'Incorrect process analysis type specified', 2 )\n\n END IF\n#endif\n\n RETURN\n END\n\n" }, { "path": "CCTM/src/procan/pa/pa_molcloss.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n REAL FUNCTION MOLCLOSS( NAMETYP, NAMINDX, NRX, NRFND )\n\nC-----------------------------------------------------------------------\nC Function: To find the number of species/family molecules lost in a reaction \n \nC Preconditions: None\n \nC Key Subroutines/Functions Called: None\n \nC Revision History:\nC Prototype created by Jerry Gipson, August, 1996\nC Modified May, 1997 by Jerry Gipson to be consistent with beta CTM\nC Modified Sept, 1997 by Jerry Gipson to be consistent with targeted CTM\nC-----------------------------------------------------------------------\n\n USE PA_GLOBAL ! Mech data used \n USE PA_VARS\n\n IMPLICIT NONE\n \nC Includes: None\n \nC Arguments:\n CHARACTER( * ) :: NAMETYP ! Type of name (mechanism species of family)\n\n INTEGER NAMINDX ! Index for species or family name location\n INTEGER NRX ! Reaction number\n INTEGER NRFND ! Number of reactants found\n \nC Parameters: None\n\nC External Functions: None \n\nC Local Variables:\n\n CHARACTER( 16 ) :: SPECIS ! Species name to check\n\n INTEGER INDX ! Pointer to reactant name\n INTEGER N ! Loop index for number of family members\n INTEGER NRC ! Loop index for number of reactants\n INTEGER NUMSPEC ! Number of species to check\n\n REAL SUM ! Sum of molecular production and loss\n REAL COEF ! Defined stoichiometric coefficient\n \nC-----------------------------------------------------------------------\n NRFND = 0\n SUM = 0.0\n \nc..Determine loop index for family name versus mechanism species\n IF ( NAMETYP .EQ. 'FAM' ) THEN\n NUMSPEC = NUMFAMMEM( NAMINDX )\n ELSE\n NUMSPEC = 1\n END IF\n\nc..Add the number of species/family member molecules lost in this reaction\n DO NRC = 1, NREACT( NRX )\n INDX = IRR( NRX,NRC )\n IF ( INDX .NE. 0 ) THEN\n DO N = 1, NUMSPEC\n IF ( NAMETYP .EQ. 'FAM' ) THEN\n SPECIS = FAMMEMNAM( NAMINDX,N )\n COEF = FAMSC( NAMINDX,N )\n ELSE\n SPECIS = CHEMISTRY_SPC( NAMINDX )\n COEF = 1.0\n END IF\n IF ( CHEMISTRY_SPC( INDX ) .EQ. SPECIS ) THEN\n SUM = SUM + COEF\n NRFND = NRFND + 1\n END IF\n END DO\n END IF\n END DO\n\n MOLCLOSS = SUM\n\n RETURN\n\n END FUNCTION MOLCLOSS\n" }, { "path": "CCTM/src/procan/pa/pa_molcprod.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n REAL FUNCTION MOLCPROD( NAMETYP, NAMINDX, NRX, NPFND )\n\nC-----------------------------------------------------------------------\nC Function: To find the number of species/family molecules produced in a reaction \n \nC Preconditions: None\n \nC Key Subroutines/Functions Called: None\n \nC Revision History:\nC Prototype created by Jerry Gipson, August, 1996\nC Modified May, 1997 by Jerry Gipson to be consistent with beta CTM\nC Modified Sept, 1997 by Jerry Gipson to be consistent with targeted CTM\nC-----------------------------------------------------------------------\n \n USE PA_GLOBAL ! Mech and Grid data used \n USE PA_VARS\n\n IMPLICIT NONE\n \nC Includes: None\n \nC Arguments:\n CHARACTER( * ) :: NAMETYP ! Type of name (mechanism species of family)\n INTEGER NAMINDX ! Index for species or family name location\n INTEGER NRX ! Reaction number\n INTEGER NPFND ! Number of products found\n \nC Parameters: None\n\nC External Functions: None \n\nC Local Variables:\n\n CHARACTER( 16 ) :: SPECIS ! Species name to check\n\n INTEGER INDX ! Pointer to reactant name\n INTEGER IRRPNTR ! Pointer to product species in IRR array\n INTEGER N ! Loop index for number of family members\n INTEGER NPR ! Loop index for number of reactants\n INTEGER NUMSPEC ! Number of species to check\n\n REAL SUM ! Sum of molecular production and loss\n REAL COEF ! Defined stoichiometric coefficient\n \nC-----------------------------------------------------------------------\n NPFND = 0\n SUM = 0.0\n\nc..Determine loop index for family name versus mechanism species\n IF ( NAMETYP .EQ. 'FAM' ) THEN\n NUMSPEC = NUMFAMMEM( NAMINDX )\n ELSE\n NUMSPEC = 1\n END IF\n \nc..Add the number of species/family member molecules lost in this reaction\n DO NPR = 1, NPRDCT( NRX )\n IRRPNTR = NPR + 3\n INDX = IRR( NRX, IRRPNTR )\n IF ( INDX .NE. 0 ) THEN\n DO N = 1, NUMSPEC\n IF ( NAMETYP .EQ. 'FAM' ) THEN\n SPECIS = FAMMEMNAM( NAMINDX, N )\n COEF = FAMSC( NAMINDX,N )\n ELSE\n SPECIS = CHEMISTRY_SPC( NAMINDX )\n COEF = 1.0\n END IF\n IF ( CHEMISTRY_SPC( INDX ) .EQ. SPECIS ) THEN\n SUM = SUM + COEF * SC( NRX,NPR ) \n NPFND = NPFND + 1\n END IF \n END DO\n END IF\n END DO\n\n MOLCPROD = SUM\n\n RETURN\n\n END FUNCTION MOLCPROD\n" }, { "path": "CCTM/src/procan/pa/pa_output.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE PA_OUTPUT( CGRID, JDATE, JTIME )\n\nC-----------------------------------------------------------------------\nC Function: Output the Process Analysis and/or Integrated Reaction Rate data \n \nC Preconditions: None\n \nC Key Subroutines/Functions Called: M3EXIT\n \nC Revision History:\nC Prototype created by Jerry Gipson, August, 1996\nC allow env var for file names Jeff, Dec, 1996\nC Modified May, 1997 by Jerry Gipson to be consistent with beta CTM\nC Modified Sept, 1997 by Jerry Gipson to be consistent with targeted CTM\nC Modified 1/19/99 by David Wong at LM:\nC -- add four include files because of new PA_CMN.EXT\nC -- add DATA_COPY function call to redistribute PA grid\nC Modified 2/26/99 by David Wong at LM:\nC -- remove SUBST_AE_SPC, SUBST_NR_SPC, SUBST_TR_SPC,\nC three .EXT files\nC -- replaced DATA_COPY function with dimension specific\nC DATA_COPY function and modified its argument list\nC -- used ifdef statement to distinguish parallel\nC implementation of IRR calculation which does not\nC start at the origin\nC Modified 22 Nov 00 by J.Young: Dave Wong's f90 stenex DATA_COPY\nC 30 Mar 01 J.Young: dyn alloc - Use PAGRD_DEFN, which Uses\nC HGRD_DEFN; requires DBUFF for WRITE3\nC 10 Oct 01 David Wong\nC -- use DBUFF to hold the output data for IRR data since\nC parallel WRITE3 can't output subsection of data\nC -- removed the usage of DBUFF for PA output\nC -- used a new formula to compute number of indexes in\nC each IPR and IRR output file rather than file header\nC to remove the call of DESC3 and use IPRFNAM and \nC IRRNAME to determine variable name\nC 10 Sep 02 J.Young: fix bug in IPRNAME, IRRNAME index\nC 31 Jan 05 J.Young: dyn alloc - establish both horizontal &\nC vertical domain specifications in one module (GRID_CONF)\nC 23 Aug 05 David Wong\nC -- inserted PIO_INIT subroutine calls before and after\nC outputing PA data which is smaller than the model\nC domain size, to compute data indices correctly in each\nC processor for the entire PARIO library functions\nC 15 Feb 06 J.Young: new pario PIO_RE_INIT from PIO_INIT to add flag\nC to control printing decomposition map\nC 10 Jul 10 J.Young: restructure so as to not keep reallocating DBUFF for IRR\nC 16 Feb 11 S.Roselle: replaced I/O API include files with UTILIO_DEFN\nC 26 Jan 16 J.Young: consolidated pio_init, flag for couple/decouple\nC 16 Sep 16 J.Young: update for inline procan\nC 7 Oct 16 J.Young: write domain re-decomp to log only on first call\nC 17 Jan 24 D. Wong: fixed a bug that IRR/IPR process alllows a subset of\nC level, a..b, where 1 <= a <= b <= NLAYS\nC-----------------------------------------------------------------------\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE PAGRD_DEFN ! PA horiz domain specs\n USE UTILIO_DEFN ! inherits PARUTILIO\n#ifndef mpas\n#ifdef parallel\n USE SE_MODULES ! stenex (using SE_UTIL_MODULE, SE_DATA_COPY_MODULE)\n#else\n USE NOOP_MODULES ! stenex (using NOOP_UTIL_MODULE, NOOP_DATA_COPY_MODULE)\n#endif\n#endif\n USE PA_DEFN ! Process Anaylsis control and data variables\n\n IMPLICIT NONE \n\nC Includes:\n INCLUDE SUBST_FILES_ID ! file name parameters\n\nC Arguments:\n REAL, POINTER :: CGRID( :,:,:,: )\n INTEGER, INTENT( IN ) :: JDATE ! current model date, format YYYYDDD\n INTEGER, INTENT( IN ) :: JTIME ! current model time, format HHMMSS\n\nC Parameters: None \n\nC External Functions: None \n\nC Local Variables: \n CHARACTER( 16 ), SAVE :: PNAME = 'PA_OUTPUT'\n CHARACTER( 16 ), ALLOCATABLE, SAVE :: IPRFNAM( : ) ! IPR output file names\n CHARACTER( 16 ), ALLOCATABLE, SAVE :: IRRFNAM( : ) ! IRR output file names\n INTEGER, SAVE :: NIPRFLS ! Number of IPR output files\n INTEGER, SAVE :: NIRRFLS ! Number of IRR output files\n LOGICAL, SAVE :: LFIRST = .TRUE. ! Flag for first call\n\n CHARACTER( 80 ) :: XMSG = ' ' ! Error message buffer\n\n INTEGER C ! Loop index for columns\n INTEGER ICG ! Index for species in cgrid array\n INTEGER L ! Loop index for layers\n INTEGER NIRR ! Loop index for IRR output variables\n INTEGER NFL ! Loop index for no. of files\n INTEGER NOUT ! Loop index for PA output variables\n INTEGER R ! Loop index for rows\n#ifndef parallel\n INTEGER PC ! index for window column\n INTEGER PR ! index for window row\n INTEGER PL ! index for window level\n#endif\n INTEGER VARINDX ! Index for output variable\n INTEGER NVARINDX ! number of output variable\n INTEGER allocstat\n \n#ifdef parallel\n CHARACTER( 2 ) :: COLROW = 'CR' ! col/row arg list order for pio_re_init\n LOGICAL :: WFLG ! pio_init - print decomposition\n#endif\n\nC-----------------------------------------------------------------------\n\n#ifndef mpas\n if (.not. allocated(IPRFNAM)) then\n allocate (IPRFNAM( MXFILE3 ),\n $ IRRFNAM( MXFILE3 ),\n $ stat=allocstat)\n end if\n\n#ifdef parallel\n IF ( .NOT. LFIRST ) THEN\nC Reset decomposition map\n IF ( .NOT. PIO_INIT( COLROW, PACOLS, PAROWS, PALEVS, NTHIK,\n & MY_PACOLS, MY_PAROWS, NPCOL, NPROW, NPCOL*NPROW,\n & MYPE ) ) THEN\n XMSG = 'Failed to re-initialize parallel I/O library.'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n RETURN\n END IF\n END IF\n#endif\n\nC On first call, get and save the output file names \n IF ( LFIRST ) THEN\n\n#ifdef parallel\nC Reset decomposition map\n IF ( .NOT. PIO_INIT( COLROW, PACOLS, PAROWS, PALEVS, NTHIK,\n & MY_PACOLS, MY_PAROWS, NPCOL, NPROW, NPCOL*NPROW,\n & MYPE, WFLG = .TRUE. ) ) THEN\n XMSG = 'Failed to re-initialize parallel I/O library.'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n RETURN\n END IF\n#endif\n\n IF ( LIPR .AND. NIPRVAR. GT. 0 ) THEN\n\n IF ( MOD( NIPRVAR, MXVARS3 ) .EQ. 0 ) THEN\n NIPRFLS = NIPRVAR / MXVARS3\n ELSE\n NIPRFLS = ( NIPRVAR / MXVARS3 ) + 1\n END IF\n\n DO NFL = 1, NIPRFLS\n\n IF ( NFL .EQ. 1 ) THEN\n IPRFNAM( NFL ) = CTM_IPR_1\n ELSE IF ( NFL .EQ. 2 ) THEN\n IPRFNAM( NFL ) = CTM_IPR_2\n ELSE IF ( NFL .EQ. 3 ) THEN\n IPRFNAM( NFL ) = CTM_IPR_3\n ELSE IF ( NFL .GT. 3 ) THEN\n XMSG = 'Maximum number of IPR output files exceeded'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n\n IF ( MYPE .EQ. 0 ) THEN\n IF ( .NOT. OPEN3( IPRFNAM( NFL ), FSRDWR3, PNAME ) ) THEN\n XMSG = 'Could not open Integrated Process Rate Output File: '\n & // IPRFNAM( NFL )\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END IF\n\n END DO\n\n END IF\n\n IF ( LIRR .AND. NIRRVAR. GT. 0 ) THEN\n\n IF ( MOD( NIRRVAR, MXVARS3 ) .EQ. 0 ) THEN\n NIRRFLS = NIRRVAR / MXVARS3\n ELSE\n NIRRFLS = ( NIRRVAR / MXVARS3 ) + 1\n END IF\n\n DO NFL = 1, NIRRFLS\n \n IF ( NFL .EQ. 1 ) THEN\n IRRFNAM( NFL ) = CTM_IRR_1\n ELSE IF ( NFL .EQ. 2 ) THEN\n IRRFNAM( NFL ) = CTM_IRR_2\n ELSE IF ( NFL .EQ. 3 ) THEN\n IRRFNAM( NFL ) = CTM_IRR_3\n ELSE IF ( NFL .GT. 3 ) THEN\n XMSG = 'Maximum number of IRR output files exceeded'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n END IF\n\n IF ( MYPE .EQ. 0 ) THEN\n IF ( .NOT. OPEN3( IRRFNAM( NFL ), FSRDWR3, PNAME ) ) THEN\n XMSG = 'Could not open Integrated Reaction Rate Output File: '\n & // IRRFNAM( NFL )\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END IF\n\n END DO\n\n END IF\n\n END IF ! LFIRST\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC Output Process analysis data and re-initialize arrays\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( LIPR ) THEN\n\n DO NFL = 1, NIPRFLS\n\n NVARINDX = MIN ( MXVARS3, NIPRVAR - (NFL - 1) * MXVARS3 )\n\n DO NOUT = 1, NVARINDX\n VARINDX = ( NFL - 1 ) * MXVARS3 + NOUT\n\n IF ( .NOT. WRITE3( IPRFNAM( NFL ), IPRNAME( VARINDX ),\n & JDATE, JTIME, DELC( :,:,:,VARINDX ) ) ) THEN \n XMSG = 'Could not write ' // IPRFNAM( NFL )\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n END DO\n\n WRITE( LOGDEV, '( /5X, 3( A, :, 1X ), I8, \":\", I6.6 )' )\n & 'Timestep written to', IPRFNAM( NFL ),\n & 'for date and time', JDATE, JTIME\n END DO\n\n DO NOUT = 1, NIPRVAR\n DO L = 1, PALEVS\n DO R = 1, MY_PAROWS\n DO C = 1, MY_PACOLS\n DELC( C,R,L,NOUT ) = 0.0\n END DO\n END DO\n END DO\n END DO\n\n END IF ! IPR\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC Output the IRR data and re-initialize arrays\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( LIRR ) THEN\n\n DO NFL = 1, NIRRFLS\n\n NVARINDX = MIN (MXVARS3, NIRRVAR - (NFL - 1) * MXVARS3)\n\n DO NOUT = 1, NVARINDX\n VARINDX = ( NFL - 1 ) * MXVARS3 + NOUT\n\n#ifdef parallel\n! write( logdev,* ) 'paout-nout,varindx,my_pacols,etc,sizes: ',\n! & nout, varindx, my_pacols, my_parows, palevs,\n! & size( irrout,1 ), size( irrout,2 ), size( irrout,3 ),\n! & size( irrout,4 ), size( tirrout,1 ), size( tirrout,2 ),\n! & size( tirrout,3 ), size( dbuff,1 ), size( dbuff,2 ),\n! & size( dbuff,3 ) \n CALL SUBST_DATA_COPY ( IRROUT, DBUFF, VARINDX, 1 )\n#else\n DBUFF = IRROUT( 1:MY_PACOLS,1:MY_PAROWS,1:PALEVS,VARINDX )\n#endif\n IF ( .NOT. WRITE3( IRRFNAM( NFL ), IRRNAME( VARINDX ),\n & JDATE, JTIME, DBUFF ) ) THEN \n XMSG = 'Could not write ' // IRRFNAM( NFL )\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n END DO\n\n WRITE( LOGDEV, '( /5X, 3( A, :, 1X ), I8, \":\", I6.6 )' )\n & 'Timestep written to', IRRFNAM( NFL ),\n & 'for date and time', JDATE, JTIME\n\n END DO\n\n DO NIRR = 1, NIRRVAR\n DO L = 1, PALEVS\n#ifdef parallel\n DO R = MY_IRR_BEGROW, MY_IRR_ENDROW\n DO C = MY_IRR_BEGCOL, MY_IRR_ENDCOL\n#else\n DO R = 1, MY_PAROWS\n DO C = 1, MY_PACOLS\n#endif\n IRROUT( C,R,L,NIRR ) = 0.0\n END DO\n END DO\n END DO\n END DO\n\n END IF ! IRR\n\n#ifdef parallel\n IF ( .NOT. LFIRST ) THEN\nC Reset decomposition map\n IF ( .NOT. PIO_INIT( COLROW, GL_NCOLS, GL_NROWS, NLAYS, NTHIK,\n & NCOLS, NROWS, NPCOL, NPROW, NPCOL*NPROW,\n & MYPE ) ) THEN\n XMSG = 'Failed to re-initialize parallel I/O library.'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n RETURN\n END IF\n ELSE\n IF ( .NOT. PIO_INIT( COLROW, GL_NCOLS, GL_NROWS, NLAYS, NTHIK,\n & NCOLS, NROWS, NPCOL, NPROW, NPCOL*NPROW,\n & MYPE, WFLG = .TRUE. ) ) THEN\n XMSG = 'Failed to re-initialize parallel I/O library.'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT2 )\n RETURN\n END IF\n END IF\n#endif\n#endif\n\n IF ( LFIRST ) THEN\n LFIRST = .FALSE.\n END IF\n\n RETURN\n END\n" }, { "path": "CCTM/src/procan/pa/pa_read.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE PA_READ\n\nC-----------------------------------------------------------------------\nC Function: To read the Process Analysis input commmand file \n \nC Preconditions: None\n \nC Key Subroutines/Functions Called: GETCHR\nC GETCYCLE\nC GETDESC\nC GETFAMILY\nC GETIPROUT\nC GETIRROUT\nC GETRXNSUM\nC GETWORD\nC RDLINE \n \nC Revision History:\nC Prototype created by Jerry Gipson, May, 1997\nC Modified May, 1997 by Jerry Gipson to be consistent with beta CTM\nC Modified Sept, 1997 by Jerry Gipson to be consistent with targeted CTM\nC Fixed default domain problem, Jerry Gipson, Feb '98\nC Updated May 2002 by Jerry Gipson for dynamic allocation version of CCTM\nC Updated August 2004 by Jerry Gipson to get input file path from environment variables\nC Modified output_domain error message, J. Gipson Aug '04 \nC Aug 2011 Jeff Young: Replaced I/O API include files with IOAPI`s M3UTILIO\nC Sep 2018 C. Nolte, S. Roselle: replace M3UTILIO with UTILIO_DEFN\nC-----------------------------------------------------------------------\n USE UTILIO_DEFN\n USE PA_GLOBAL ! Mech and Grid data used \n USE PA_VARS\n USE PA_DEFN, Only: LIPR, LIRR, NIPRVAR, NIRRVAR,\n & IRRNAME, IRRDESC, LPARTIRR, LFULLIRR, N_IPR_SPC\n USE PA_PARSE\n\n IMPLICIT NONE\n \nC Includes: None\n \nC Arguments: None\n \nC Parameters:\n ! env var for the Process Analysis Control Module input file name\n CHARACTER( 16 ), PARAMETER :: PACM_INFILE = 'PACM_INFILE' \n CHARACTER( 16 ), PARAMETER :: PNAME = 'PA_READ' \n\nC External Functions: \n\nC Local Variables:\n CHARACTER( 16 ) :: CMND ! Current command being processed\n CHARACTER( 16 ) :: LASTCMND ! Previous command processed\n\n INTEGER NDOMAIN ! Number of GETDOMIN calls\n INTEGER ASTAT ! Memory allocation status\n\n LOGICAL LIRRTYPE ! Flag for input IRRTYPE command\n LOGICAL LIRRNONE ! Flag for no IRR analysis\n LOGICAL LRDONLY ! Flag for read only file\n LOGICAL LFMTTED ! Flag for formatted file\n\nC-----------------------------------------------------------------------\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Open irr mb file and get the first non-comment line\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n LRDONLY = .TRUE.\n LFMTTED = .TRUE.\n\n IFILE = GETEFILE ( PACM_INFILE, LRDONLY, LFMTTED, PNAME )\n IF ( IFILE .LT. 0 ) THEN\n MSG = 'PACM_INFILE not found; looking for pa.inp'\n CALL M3MESG( MSG )\n IFILE = GETEFILE ( 'pa.inp', LRDONLY, LFMTTED, PNAME )\n IF ( IFILE .LT. 0 ) THEN \n MSG = 'ERROR: Could not open PACM input file'\n CALL M3EXIT( PNAME, IZERO, IZERO, MSG, XSTAT2 )\n END IF\n END IF\n \n LINNUM = 0\n NDOMAIN = 0\n LIRRTYPE = .FALSE.\n LIRRNONE = .FALSE.\n CALL RDLINE\n CALL GETCHR\n CALL GETWORD\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Process the IRRTYPE command if it is present\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( WORD .EQ. 'IRRTYPE' ) THEN\n LIRRTYPE = .TRUE.\n IF ( CHR .NE. '=' ) THEN\n WRITE( MSG, 94060 ) \n CALL M3MESG( MSG )\n WRITE( MSG, 94000 ) LINNUM, INBUF\n CALL M3MESG( MSG )\n WRITE( MSG, 94020 ) CHR\n CALL M3MESG( MSG )\n CALL M3EXIT( PNAME, IZERO, IZERO, ' ', XSTAT2 )\n END IF\n CALL GETCHR\n CALL GETWORD\n IF ( WORD .EQ. 'FULL' ) THEN\n LFULLIRR = .TRUE.\n LPARTIRR = .FALSE.\n ELSE IF ( WORD .EQ. 'PARTIAL' ) THEN\n LFULLIRR = .FALSE.\n LPARTIRR = .TRUE.\n ELSE IF ( WORD .EQ. 'NONE' ) THEN\n LIRRNONE = .TRUE.\n LFULLIRR = .FALSE.\n LPARTIRR = .FALSE. \n ELSE\n WRITE( MSG, 94080 ) \n CALL M3MESG( MSG )\n WRITE( MSG, 94000 ) LINNUM, INBUF\n CALL M3MESG( MSG )\n WRITE( MSG, 94040 ) WORD\n CALL M3MESG( MSG )\n CALL M3EXIT( PNAME, IZERO, IZERO, ' ', XSTAT2 )\n END IF\n IF ( CHR .NE. ';' ) THEN\n WRITE( MSG, 94100 ) \n CALL M3MESG( MSG )\n WRITE( MSG, 94000 ) LINNUM, INBUF\n CALL M3MESG( MSG )\n WRITE( MSG, 94020 ) CHR\n CALL M3MESG( MSG )\n CALL M3EXIT( PNAME, IZERO, IZERO, ' ', XSTAT2 )\n ELSE\n CALL GETCHR\n CALL GETWORD\n END IF\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Top of loop for processing remaining commands\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n20 CONTINUE\n CMND = WORD\n IF ( WORD .EQ. 'DEFINE' ) THEN\n CALL GETWORD\n IF ( WORD .EQ. 'FAMILY' ) THEN \n CALL GETFAMILY\n ELSE IF ( WORD .EQ. 'RXNSUM' ) THEN\n CALL GETRXNSUM\n ELSE IF ( WORD .EQ. 'CYCLE' ) THEN\n CALL GETCYCLE\n ELSE\n WRITE( MSG, 94120 ) \n CALL M3MESG( MSG )\n WRITE( MSG, 94000 ) LINNUM, INBUF\n CALL M3MESG( MSG )\n WRITE( MSG,94040 ) WORD\n CALL M3MESG( MSG )\n CALL M3EXIT( PNAME, IZERO, IZERO, ' ', XSTAT2 )\n END IF\n ELSE IF ( WORD .EQ. 'IPR_OUTPUT' ) THEN\n CALL GETIPROUT\n ELSE IF ( WORD .EQ. 'IRR_OUTPUT' ) THEN\n CALL GETIRROUT\n ELSE IF ( WORD .EQ. 'DESCRIPTION' ) THEN\n CALL GETDESC( LASTCMND )\n ELSE IF ( WORD .EQ. 'ENDPA' ) THEN\n GO TO 100\n ELSE\n WRITE( MSG, 94140 ) \n CALL M3MESG( MSG )\n WRITE( MSG, 94000 ) LINNUM, INBUF\n CALL M3MESG( MSG )\n WRITE( MSG, 94040 ) WORD\n CALL M3MESG( MSG )\n CALL M3EXIT( PNAME, IZERO, IZERO, ' ', XSTAT2 )\n END IF\n LASTCMND = CMND\n CALL GETWORD\n GO TO 20\n\n100 CONTINUE\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Set the control parameters\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\nc..LIPR -- for integrated process rates\n IF ( N_IPR_SPC .GT. 0 ) THEN\n LIPR = .TRUE.\n ELSE\n LIPR = .FALSE.\n END IF\n\nc..LIRR -- for integrated reaction rates\n IF ( LFULLIRR ) THEN\n LIRR = .TRUE.\n NIRRVAR = NRXNS\n ELSE IF ( LPARTIRR ) THEN\n LIRR = .TRUE.\n NIRRVAR = NIRROUT\n ELSE\n LIRR = .FALSE.\n END IF\n\n NIPRVAR = MAX( NIPRVAR, 1 )\n NIRRVAR = MAX( NIRRVAR, 1 )\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Allocate file variables\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n ALLOCATE ( IRRNAME( NIRRVAR ),\n & IRRDESC( NIRRVAR ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n WRITE( MSG, 94460 )\n CALL M3EXIT( PNAME, IZERO, IZERO, MSG, XSTAT2 )\n END IF\n IRRNAME = IRRNAME_TMP( 1:NIRRVAR )\n IRRDESC = IRRDESC_TMP( 1:NIRRVAR )\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Print Warning messages for inconsistencies,omissions, etc.\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( LIRRTYPE ) THEN\n IF ( LFULLIRR .AND. NIRROUT .GT. 0 ) THEN\n WRITE( MSG, 94240 ) \n CALL M3MESG( MSG )\n WRITE( MSG, 94260 ) \n CALL M3MESG( MSG )\n ELSE IF ( LPARTIRR .AND. NIRROUT .EQ. 0 ) THEN\n LPARTIRR = .FALSE.\n WRITE( MSG, 94280 ) \n CALL M3MESG( MSG )\n WRITE( MSG, 94300 ) \n CALL M3MESG( MSG )\n ELSE IF ( LIRRNONE .AND. NIRROUT .GT. 0 ) THEN\n WRITE( MSG, 94320 ) \n CALL M3MESG( MSG )\n WRITE( MSG, 94340 ) \n CALL M3MESG( MSG )\n END IF\n ELSE\n IF ( NIRROUT .GT. 0 ) THEN\n LPARTIRR = .TRUE.\n LFULLIRR = .FALSE.\n WRITE( MSG, 94360 ) \n CALL M3MESG( MSG )\n WRITE( MSG, 94380 ) \n CALL M3MESG( MSG )\n END IF\n END IF \n RETURN \n\nC----------------------- FORMAT Statements -----------------------------\n\n94000 FORMAT( ' Line No. ', I4, ': ', A )\n94020 FORMAT( ' Character found: ', A )\n94040 FORMAT( ' Word found: ', A )\n94060 FORMAT( 'ERROR: Equal sign expected after IRRTYPE' )\n94080 FORMAT( 'ERROR: FULL, PARTIAL, or NONE must follow IRRTYPE' )\n94100 FORMAT( 'ERROR: A ; must follow FULL, PARTIAL, or NONE' )\n94120 FORMAT( 'ERROR: FAMILY, RXNSUM, OR CYCLE must follow the DEFINE',\n & ' command' )\n94140 FORMAT( 'ERROR: Invalid command' )\n94240 FORMAT( 'WARNING: LIRRTYPE = FULL but PARTIAL commands included' )\n94260 FORMAT( ' A FULL IRR analysis will be assumed' )\n94280 FORMAT( 'WARNING: LIRRTYPE = PARTIAL but no PARTIAL commands',\n & ' included' )\n94300 FORMAT( ' No IRR outputs will be generated' )\n94320 FORMAT( 'WARNING: LIRRTYPE = NONE but PARTIAL IRR commands', \n & ' included' )\n94340 FORMAT( ' No IRR outputs will be generated' )\n94360 FORMAT( 'WARNING: LIRRTYPE not specified but PARTIAL commands',\n & ' included' )\n94380 FORMAT( ' A PARTIAL IRR analysis will be generated' ) \n94460 FORMAT( 'ERROR: Unable to allocate IRRNAME or IRRDESC memory' )\n\n END SUBROUTINE PA_READ\n\n" }, { "path": "CCTM/src/procan/pa/pa_report.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE PA_REPORT\n\nC-----------------------------------------------------------------------\nC Function: To provide an output listing that symbolically represents\nC the operations to be performed in Process Analysis \n \nC Preconditions: None\n \nC Key Subroutines/Functions Called: None\n \nC Revision History:\nC Prototype created by Jerry Gipson, August, 1996\nC Modified May, 1997 by Jerry Gipson to be consistent with beta CTM\nC Modified Sept, 1997 by Jerry Gipson to be consistent with targeted CTM\nC Modified Jun, 1998 by Jerry Gipson to change name of output report\nC Modified May 2002 by Jerry Gipson to add comma in format statements\nC Aug 2011 Jeff Young: Replaced I/O API include files with IOAPI`s M3UTILIO\nC Sep 2018 C. Nolte, S. Roselle: replace M3UTILIO with UTILIO_DEFN\nC-----------------------------------------------------------------------\n\n USE UTILIO_DEFN\n USE PA_GLOBAL ! Mech data used \n USE PA_VARS\n USE PA_IPRVARS\n USE PA_DEFN, Only: LFULLIRR, LPARTIRR, N_IPR_SPC, IRRNAME\n USE PA_PARSE\n use get_env_module \n\n IMPLICIT NONE\n \nC Includes: None\nC Arguments: None\nC Parameters:\n CHARACTER( 20 ), PARAMETER :: PACM_REPORT = 'PACM_REPORT' \n CHARACTER( 16 ), PARAMETER :: PNAME = 'PA_REPORT' \n\nC External Functions: None\n\nC Local Variables\n CHARACTER( 1 ) :: C = 'c' ! Lowercase c\n CHARACTER( 3 ) :: LABL ! Output reaction label or term number\n CHARACTER( 3 ) :: OUTLBL ! Output label number\n CHARACTER( 4 ) :: OPNAM ! Operator variable name\n CHARACTER( 4 ) :: TYPE ! Operator type\n CHARACTER( 7 ) :: PNFLG ! Pos or Neg only flag\n CHARACTER( 11 ) :: COUT ! Output coefficient\n CHARACTER( 80 ) :: CEES ! Line of asterisks\n CHARACTER( 80 ) :: LINOUT ! line of output\n CHARACTER( 5 ) :: TZ ! Time zone label\n CHARACTER( 24 ) :: TIMNDAT ! Wall clock time and date\n\n CHARACTER( 50 ) :: STRING( 20 ) ! Strings to concatenate\n CHARACTER( LABLEN ) :: RJLABL( MXRXNS ) ! Right justified reaction label\n CHARACTER( 4 ) :: SAVOP( MAXTERMS ) ! Operator name\n CHARACTER( 3 ) :: SAVLBL( MAXTERMS ) ! Operator label\n\n INTEGER E1, E2, E3 ! Ending character positions\n INTEGER EQPOS1 ! Position of equal sign plus 1\n INTEGER ICOUNT ! Counter of no. of output terms\n INTEGER IE1, IE2 ! Pointer to ending positions in a string\n INTEGER IEND ! Pointer to end of output line \n INTEGER INDX ! Pointer to reaction number\n INTEGER IOUT ! Unit number for output report \n INTEGER IS1, IS2 ! Pointer to startinging positions in a string\n INTEGER LEN1 ! Length of a string\n INTEGER :: LINLEN = 80 ! Length of output line\n INTEGER MAXLEN ! Length of longest reaction label\n INTEGER N ! Loop index for specis and defined names\n INTEGER NCYC ! Loop index for number of cycles\n INTEGER NNETR ! No. of net reaction operators in OUTPUT request\n INTEGER NNLOS ! No. of net loss operators in OUTPUT request\n INTEGER NLN ! Loop index for no. of mech lines\n INTEGER NLOSS ! No. of loss operators in OUTPUT request\n INTEGER NFAM ! Loop index for number of familys\n INTEGER NNPRD ! No. of net production operators in OUTPUT request\n INTEGER NOUT ! Loop index for number of output requests\n INTEGER NIPR ! Loop index for IPR species\n INTEGER NPROD ! No. of net production operators in OUTPUT request\n INTEGER NRX ! Loop index for number of reactions\n INTEGER NR ! Total number of reactions in operator\n INTEGER NTERM ! Loop index for number of terms in output request\n INTEGER NUMSTRNGS ! Number of strings to concatenate\n INTEGER SPOS ! Starting position of right justified label\n INTEGER IDATE ! Wall-clock date\n INTEGER ITIME ! Wall clock time\n\n INTEGER RXNUMS( MXRXNS ) ! Rx nos. of reactions in operator term\n\n LOGICAL LFIRST ! Flag for first time throuhh a loop\n LOGICAL LINITFLG ! Flag to indicate initialization present\n\n LOGICAL LRDONLY ! Flag for read only file\n LOGICAL LFMTTED ! Flag for formatted file\n\n LOGICAL LRXINC( MXRXNS ) ! Flag to include reaction in prod,\n ! loss, or net operations\n REAL COEFFS( MXRXNS ) ! Coefficients of operator reactions\n INTEGER ASTAT\n CHARACTER(200) :: PACM_NAME\n\nC-----------------------------------------------------------------------\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Open file and write report header\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n LRDONLY = .FALSE.\n LFMTTED = .TRUE.\n\n !IOUT = GETEFILE ( PACM_REPORT, LRDONLY, LFMTTED, PNAME )\n IOUT = JUNIT()\n CALL GET_ENV( PACM_NAME, 'PACM_REPORT', 'PACM_REPORT' )\n OPEN ( UNIT = IOUT, FILE = PACM_NAME, STATUS='UNKNOWN', FORM='FORMATTED', IOSTAT=ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n MSG = 'ERROR: Could not open PA_REPORT output file'\n CALL M3EXIT( PNAME, IZERO, IZERO, MSG, ASTAT )\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get the time and date to be used as the time stamp for all outputs;\nc Convert from GMT to EDT or EST\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n CALL GETDTTIME( IDATE, ITIME )\n\n IF ( ISDSTIME( IDATE ) ) THEN\n CALL NEXTIME( IDATE, ITIME, -40000 )\n TZ = ' EDT '\n ELSE\n CALL NEXTIME( IDATE, ITIME, -50000 )\n TZ = ' EST '\n END IF\n\n TIMNDAT = DT2STR( IDATE, ITIME )\n TDATOUT = TIMNDAT( 1:8 ) // TZ // TIMNDAT( 10:24 )\n\n WRITE( IOUT, 93020 ) TDATOUT\n WRITE( IOUT, 93000 )\n\n DO N = 1, 80\n CEES( N:N ) = C\n END DO\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Do the integrated process rate section\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n LINOUT = CEES\n WRITE( IOUT, 93000 ) LINOUT\n IF ( N_IPR_SPC .LE. 0 ) THEN\n WRITE( IOUT, 93080 )\n LINOUT = CEES\n WRITE( IOUT, 93000 ) LINOUT\n WRITE( IOUT, 93000 )\n WRITE( IOUT, 93000 )\n ELSE \n WRITE( IOUT, 93100 )\n LINOUT = CEES\n WRITE( IOUT, 93000 ) LINOUT\n LFIRST = .TRUE.\n DO NIPR = 1, N_IPR_SPC\n IF ( IPR_SPTYPE( NIPR ) .EQ. 'FAM' ) THEN\n IF ( LFIRST ) THEN\n WRITE( IOUT, 93120 )\n LFIRST = .FALSE.\n END IF \n INDX = IPR_SPNUM( NIPR )\n DO N = 1, FAMNUMLNS( INDX )\n WRITE( IOUT, 93000 ) FAMLINE( INDX,N )\n END DO\n WRITE( IOUT, 93140 ) \n WRITE( IOUT, 93000 ) LINOUT\n END IF\n END DO\n ICOUNT = 0\n DO NIPR = 1, N_IPR_SPC \n DO N = 1, N_IPR_OPS( NIPR )\n ICOUNT = ICOUNT + 1\n WRITE( IOUT, '(A17,I3,A4,A4,A4,A)' ) ' IPR_OUTPUT(', \n & ICOUNT, ') = ', IPR_OPNAME( NIPR, N ),\n & ' of ', IPR_SPNAM( NIPR ) \n END DO\n END DO\n WRITE( IOUT, 93000 ) \n WRITE( IOUT, 93000 ) \n END IF \n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc If not doing a partial IRR, write a header and skip to the end\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( .NOT. LPARTIRR ) THEN\n LINOUT = CEES\n WRITE( IOUT, 93000 ) LINOUT\n IF ( LFULLIRR ) THEN \n WRITE( IOUT, 93180 ) \n ELSE\n WRITE( IOUT, 93200 )\n END IF\n LINOUT = CEES\n WRITE( IOUT, 93000 ) LINOUT\n GO TO 999\n END IF \n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Write the section header for the partial IRR section\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n LINOUT = CEES\n WRITE( IOUT, 93000 ) LINOUT\n WRITE( IOUT, 93220 )\n LINOUT = CEES\n WRITE( IOUT, 93000 ) LINOUT\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Find the longest reaction label length, right justify and save\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n MAXLEN = 0\n DO NRX = 1, NRXNS\n MAXLEN = MAX( MAXLEN, LEN_TRIM( RXLABEL( NRX ) ) )\n END DO\n \n DO NRX = 1, NRXNS\n DO N = 1, LABLEN\n RJLABL( NRX )( N:N ) = ' '\n END DO\n IS1 = LBLANK( RXLABEL( NRX ) ) + 1\n IE1 = LEN_TRIM( RXLABEL( NRX ) )\n LEN1 = IE1 - IS1 + 1\n IE2 = LABLEN\n IS2 = LABLEN - LEN1 + 1\n RJLABL( NRX )( IS2:IE2 ) = RXLABEL( NRX )( IS1:IE1 ) \n END DO\n\n SPOS = LABLEN - MAXLEN + 1\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Top of loop for doing each IRR_OUTPUT report\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n DO 540 NOUT = 1, NIRROUT\n WRITE( OUTLBL, '( I3 )' ) NOUT\n\nc..Write the header for each output\n WRITE( IOUT, 93240 )\n LINOUT = CEES\n WRITE( IOUT, 93000 ) LINOUT\n STRING( 1 ) = ' Summary of Input IRR Commands for OUTPUT'\n STRING( 2 ) = INT2CHR( NOUT )\n IEND = LEN_TRIM( STRING( 2 ) )\n STRING( 2 ) = STRING( 2 )( 1:IEND ) // ':'\n STRING( 3 ) = IRRNAME( NOUT )\n NUMSTRNGS = 3 \n CALL CATSTRING( NUMSTRNGS, STRING, LINOUT, LINLEN )\n WRITE( IOUT, 93000 ) LINOUT\n LINOUT = CEES\n WRITE( IOUT, 93000 ) LINOUT\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Write the input IRR commands\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n WRITE( IOUT, 93140 )\n WRITE( IOUT, 93260 )\n WRITE( IOUT, 93140 )\n LINOUT = ' IRROUT(' // OUTLBL // ') = '\n IEND = LEN_TRIM( LINOUT ) + 1\n EQPOS1 = IEND\n DO 100 NTERM = 1, NIRRTERMS( NOUT )\n\n CALL DOCOEFF( OUTSC( NOUT,NTERM ), COUT )\n IF ( NTERM .EQ. 1 .AND. OUTSC( NOUT,NTERM ) .GT. 0.0 )\n & COUT( 1:1 ) = ' '\n LINOUT = LINOUT( 1:EQPOS1 ) // COUT\n IEND = EQPOS1 + 12\n TYPE = OUTTYPE( NOUT,NTERM )\n E1 = MIN( LEN_TRIM( OUTSPEC1( NOUT,NTERM ) ), 6 )\n E2 = MIN( LEN_TRIM( OUTSPEC2( NOUT,NTERM ) ), 6 )\n E3 = MIN( LEN_TRIM( OUTSPEC3( NOUT,NTERM ) ), 6 )\n\n IF ( TYPE .EQ. 'NAME' ) THEN\n\n LINOUT = LINOUT( 1:IEND ) // OUTSPEC1( NOUT, NTERM )\n IEND = LEN_TRIM( LINOUT )\n IF ( OUTPNFLAG( NOUT,NTERM ) .EQ. 'POSONLY' ) THEN\n LINOUT = LINOUT( 1:IEND ) // '[POSONLY]'\n ELSE IF ( OUTPNFLAG( NOUT,NTERM ) .EQ. 'NEGONLY' ) THEN\n LINOUT = LINOUT( 1:IEND ) // '[NEGONLY]'\n END IF\n\n ELSE IF ( TYPE .EQ. 'PROD' .OR. TYPE .EQ. 'NETP' ) THEN\n\n OPNAM = TYPE\n LINOUT = LINOUT( 1:IEND ) // OPNAM // ' [' //\n & OUTSPEC1( NOUT,NTERM )( 1:E1 ) // ']'\n IEND = LEN_TRIM( LINOUT )\n IF ( OUTSPEC2( NOUT,NTERM ) .NE. '' ) THEN\n LINOUT = LINOUT( 1:IEND ) // ' FROM [' //\n & OUTSPEC2( NOUT,NTERM )( 1:E2 ) // ']'\n IEND = LEN_TRIM( LINOUT )\n END IF\n IF ( OUTSPEC3( NOUT,NTERM ) .NE. '' ) THEN\n IF ( OUTOP2( NOUT,NTERM ) .EQ. 'AND' ) THEN\n LINOUT = LINOUT( 1:IEND ) // ' AND [' //\n & OUTSPEC3( NOUT,NTERM )( 1:E3 ) // ']'\n ELSE\n LINOUT = LINOUT( 1:IEND ) // ' OR [' //\n & OUTSPEC3( NOUT,NTERM )( 1:E3 ) // ']'\n END IF\n IEND = LEN_TRIM( LINOUT )\n END IF\n\n ELSE IF ( TYPE .EQ. 'LOSS' .OR. TYPE .EQ. 'NETL' ) THEN\n\n OPNAM = TYPE\n LINOUT = LINOUT( 1:IEND ) // OPNAM // ' [' //\n & OUTSPEC1( NOUT,NTERM )( 1:E1 ) // ']'\n IEND = LEN_TRIM( LINOUT )\n IF ( OUTSPEC3( NOUT,NTERM ) .NE. '' ) THEN\n IF ( OUTOP2( NOUT,NTERM ) .EQ. 'AND' ) THEN\n LINOUT = LINOUT( 1:IEND ) // ' AND [' //\n & OUTSPEC3( NOUT,NTERM )( 1:E3 ) // ']'\n ELSE\n LINOUT = LINOUT( 1:IEND ) // ' OR [' //\n & OUTSPEC3( NOUT,NTERM )( 1:E3 ) // ']'\n END IF\n IEND = LEN_TRIM( LINOUT )\n END IF\n\n ELSE IF ( TYPE .EQ. 'NET' ) THEN\n\n OPNAM = TYPE\n LINOUT = LINOUT( 1:IEND ) // OPNAM // ' [' //\n & OUTSPEC1( NOUT,NTERM )( 1:E1 ) // ']'\n IEND = LEN_TRIM( LINOUT )\n\n ELSE IF ( TYPE .EQ. 'RXN' ) THEN\n\n INDX = OUTRN( NOUT,NTERM )\n LINOUT = LINOUT( 1:IEND ) // 'IRR<' //\n & RJLABL( INDX )( SPOS:LABLEN ) // '>'\n END IF\n\n WRITE( IOUT, 93000 ) LINOUT\n LINOUT = ' &'\n LINOUT = LINOUT( 1:EQPOS1 )\n\n100 CONTINUE\n WRITE( IOUT, 93140 )\n LINOUT = CEES\n WRITE( IOUT, 93000 ) LINOUT \n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Write the descriptions for any families referenced\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( NOUTFAMS( NOUT ) .GT. 0 ) THEN\n WRITE( IOUT, 93140 )\n WRITE( IOUT, 93280 )\n DO NFAM = 1, NOUTFAMS( NOUT )\n INDX = OUTFAMS( NOUT,NFAM )\n DO N = 1, FAMNUMLNS( INDX )\n WRITE( IOUT, 93000 ) FAMLINE( INDX,N )\n END DO\n WRITE( IOUT, 93140 ) \n END DO\n LINOUT = CEES\n WRITE( IOUT, 93000 ) LINOUT\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Output descriptions of all cycles referenced\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( NOUTCYCS( NOUT ) .GT. 0 ) THEN\n WRITE( IOUT, 93140 )\n WRITE( IOUT, 93300 )\n DO 200 N = 1, NOUTCYCS( NOUT )\n NCYC = OUTCYCS( NOUT,N )\n\nc..Write the cycle name\n STRING( 1 ) = 'c..CYCLE'\n STRING( 2 ) = INT2CHR( NCYC )\n IEND = LEN_TRIM( STRING( 2 ) )\n STRING( 2 ) = STRING( 2 )( 1:IEND )\n STRING( 3 ) = CYCLNAME( NCYC )\n NUMSTRNGS = 3 \n CALL CATSTRING( NUMSTRNGS, STRING, LINOUT, LINLEN )\n WRITE( IOUT, 93000 ) LINOUT\n\nc..Write reactions used in the cycle\n WRITE( LABL, '( I3 )' ) NCYC\n LINOUT = ' CYSM(' // LABL // ') ='\n IEND = LEN_TRIM( STRING( 2 ) )\n\n IF ( NCYTERMS( NCYC ) .EQ. 0 ) THEN\n LINOUT = LINOUT( 1:IEND ) // ' 0.0'\n WRITE( IOUT, 93000 ) LINOUT\n ELSE\n WRITE( IOUT, 93000 ) LINOUT\n DO NTERM = 1, NCYTERMS( NCYC )\n INDX = CYRXNUM( NCYC,NTERM )\n CALL DOCOEFF( CYSC( NCYC,NTERM ), COUT )\n LINOUT = MECLINE( INDX,1 )\n LINOUT( 9:19 ) = COUT\n WRITE( IOUT, 93000 ) LINOUT\n IF ( MECNUMLNS( INDX ) .GT. 1 ) THEN\n DO NLN = 2, MECNUMLNS( INDX )\n WRITE( IOUT, 93000 ) MECLINE( INDX,NLN )\n END DO\n END IF\n END DO\n WRITE( IOUT, 93140 )\n END IF\n\n200 CONTINUE\n LINOUT = CEES\n WRITE( IOUT, 93000 ) LINOUT\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Output descriptions of all reaction sums referenced\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( NOUTRXSUMS( NOUT ) .GT. 0 ) THEN\n WRITE( IOUT, 93140 )\n WRITE( IOUT, 93320 )\n DO 300 N = 1, NOUTRXSUMS( NOUT )\n NRX = OUTRXSUMS( NOUT,N )\n\nc..Write the reaction sum name\n STRING( 1 ) = 'c..RXSUM'\n STRING( 2 ) = INT2CHR( NRX )\n IEND = LEN_TRIM( STRING( 2 ) )\n STRING( 2 ) = STRING( 2 )( 1:IEND )\n STRING( 3 ) = RXSUMNAME( NRX )\n NUMSTRNGS = 3 \n CALL CATSTRING( NUMSTRNGS, STRING, LINOUT, LINLEN )\n WRITE( IOUT, 93000 ) LINOUT\n\nc..Write reactions used in the reaction sum\n WRITE( LABL, '( I3 )' ) NRX\n LINOUT = ' RXSM(' // LABL // ') ='\n WRITE( IOUT, 93000 ) LINOUT\n IEND = LEN_TRIM( STRING( 2 ) )\n\n IF ( NRXTERMS( NRX ) .EQ. 0 ) THEN\n LINOUT = LINOUT( 1:IEND ) // ' 0.0'\n WRITE( IOUT, LINOUT )\n ELSE\n DO NTERM = 1, NRXTERMS( NRX )\n INDX = RXSUMRN( NRX,NTERM )\n CALL DOCOEFF( RXNSC( NRX,NTERM ), COUT )\n LINOUT = MECLINE( INDX,1 )\n LINOUT( 9:19 ) = COUT\n WRITE( IOUT, 93000 ) LINOUT\n IF ( MECNUMLNS( INDX ) .GT. 1 ) THEN\n DO NLN = 2, MECNUMLNS( INDX )\n WRITE( IOUT, 93000 ) MECLINE( INDX,NLN )\n END DO\n END IF\n END DO\n END IF \n WRITE( IOUT, 93140 )\n300 CONTINUE\n LINOUT = CEES\n WRITE( IOUT, 93000 ) LINOUT\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Before doing operators, flag all reactions included in cycles for\nc elimination from production/loss/net operators \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n DO NRX = 1, NRXNS\n LRXINC( NRX ) = .TRUE.\n END DO\n\n IF ( NOUTCYCS( NOUT ) .GT. 0 ) THEN\n DO N = 1, NOUTCYCS( NOUT )\n NCYC = OUTCYCS( NOUT, N )\n DO NTERM = 1, NCYTERMS( NCYC )\n INDX = CYRXNUM( NCYC, NTERM )\n LRXINC( INDX ) = .FALSE.\n END DO\n END DO\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Output descriptions of production/loss/net operator\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( NOUTOPS( NOUT ) .GT. 0 ) THEN\n WRITE( IOUT, 93140 )\n WRITE( IOUT, 93340 )\n NPROD = 0\n NNPRD = 0\n NLOSS = 0\n NNLOS = 0\n NNETR = 0\n DO 400 NTERM = 1, NIRRTERMS( NOUT )\n\n TYPE = OUTTYPE( NOUT,NTERM ) \n\n IF ( TYPE .NE. 'NAME' .AND. TYPE .NE. 'RXN' ) THEN \n\n CALL GETRXNS( NOUT, NTERM, NR, RXNUMS, COEFFS, LRXINC )\n\nc..Write the operator description\n IF ( TYPE .EQ. 'PROD' ) THEN\n STRING( 1 ) = 'c..Production of'\n OPNAM = 'PROD'\n NPROD = NPROD + 1\n WRITE( LABL, '( I3 )' ) NPROD\n ELSE IF ( TYPE .EQ. 'NETP' ) THEN\n STRING( 1 ) = 'c..Net production of'\n OPNAM = 'NPRD'\n NNPRD = NNPRD + 1\n WRITE( LABL, '( I3 )' ) NNPRD\n ELSE IF ( TYPE .EQ. 'LOSS' ) THEN\n STRING( 1 ) = 'c..Loss of'\n OPNAM = 'LOSS'\n NLOSS = NLOSS + 1\n WRITE( LABL, '( I3 )' ) NLOSS\n ELSE IF ( TYPE .EQ. 'NETL' ) THEN\n STRING( 1 ) = 'c..Net loss of'\n OPNAM = 'NLOS'\n NNLOS = NNLOS + 1\n WRITE( LABL, '( I3 )' ) NNLOS\n ELSE IF ( TYPE .EQ. 'NET' ) THEN\n STRING( 1 ) = 'c..Net reaction of'\n OPNAM = 'NETR'\n NNETR = NNETR + 1\n WRITE( LABL, '( I3 )' ) NNETR\n END IF\n\n SAVOP( NTERM ) = OPNAM\n SAVLBL( NTERM ) = LABL\n\n STRING( 2 ) = OUTSPEC1( NOUT,NTERM )\n NUMSTRNGS = 2\n\n IF ( OUTSPEC2( NOUT,NTERM ) .NE. '' ) THEN\n STRING( 3 ) = 'from'\n STRING( 4 ) = OUTSPEC2( NOUT,NTERM )\n NUMSTRNGS = 4\n END IF \n\n IF ( OUTSPEC3( NOUT,NTERM ) .NE. '' ) THEN\n IF ( OUTOP2( NOUT,NTERM ) .EQ. 'AND' ) THEN\n STRING( NUMSTRNGS + 1 ) = 'and'\n ELSE\n STRING( NUMSTRNGS + 1 ) = 'or'\n END IF\n STRING( NUMSTRNGS + 2 ) = OUTSPEC3( NOUT,NTERM )\n NUMSTRNGS = NUMSTRNGS + 2\n END IF\n\n CALL CATSTRING( NUMSTRNGS, STRING, LINOUT, LINLEN )\n IEND = LEN_TRIM( LINOUT )\n WRITE( IOUT, 93000 ) LINOUT\n\nc..Write reactions used in the operator\n !123456 7890 1 234 567\n LINOUT = ' ' // OPNAM // '(' // LABL // ') ='\n IEND = LEN_TRIM( LINOUT ) ! = 17\n IF ( NR .LE. 0 ) THEN\n LINOUT = LINOUT( 1:IEND ) // ' 0.0'\n WRITE( IOUT, 93000 ) LINOUT \n ELSE\n WRITE( IOUT, 93000 ) LINOUT\n DO N = 1, NR\n INDX = RXNUMS( N )\n CALL DOCOEFF( COEFFS( N ), COUT )\n LINOUT = MECLINE( INDX,1 )\n LINOUT( 9:19 ) = COUT\n WRITE( IOUT, 93000 ) LINOUT\n IF ( MECNUMLNS( INDX ) .GT. 1 ) THEN\n DO NLN = 2, MECNUMLNS( INDX )\n WRITE( IOUT, 93000 ) MECLINE( INDX,NLN )\n END DO\n END IF\n END DO\n END IF\n WRITE( IOUT, 93140 )\n END IF\n400 CONTINUE \n LINOUT = CEES\n WRITE( IOUT, 93000 ) LINOUT\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Output list of all reactions referenced in the OUTPUT command\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( NOUTRXN( NOUT ) .GT. 0 ) THEN\n WRITE( IOUT, 93140 )\n WRITE( IOUT, 93360 )\n IF ( NOUTRXN( NOUT ) .GT. 0 ) THEN\n DO NTERM = 1, NIRRTERMS( NOUT )\n TYPE = OUTTYPE( NOUT,NTERM ) \n IF ( TYPE .EQ. 'RXN' ) THEN\n INDX = OUTRN( NOUT,NTERM )\n LINOUT = MECLINE( INDX, 1 )\n LINOUT( 6:6 ) = ' '\n WRITE( IOUT, 93000 ) LINOUT\n IF ( MECNUMLNS( INDX ) .GT. 1 ) THEN\n DO NLN = 2, MECNUMLNS( INDX )\n WRITE( IOUT, 93000 ) MECLINE( INDX,NLN )\n END DO\n END IF\n END IF\n END DO\n END IF\n WRITE( IOUT, 93140 )\n LINOUT = CEES\n WRITE( IOUT, 93000 ) LINOUT\n END IF \n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Write the pseudocode for IRROUT\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n STRING( 1 ) = ' Pseudocode for OUTPUT'\n STRING( 2 ) = INT2CHR( NOUT )\n IEND = LEN_TRIM( STRING( 2 ) )\n STRING( 2 ) = STRING( 2 )( 1:IEND ) // ':'\n STRING( 3 ) = IRRNAME( NOUT )\n NUMSTRNGS = 3 \n CALL CATSTRING( NUMSTRNGS, STRING, LINOUT, LINLEN )\n WRITE( IOUT, 93000 ) LINOUT\n LINOUT = CEES\n WRITE( IOUT, 93000 ) LINOUT\n\nc..Write the pseudocode for the initialization terms\n LINITFLG = .FALSE.\n LFIRST = .TRUE.\n DO 500 NTERM = 1, NIRRTERMS( NOUT )\n PNFLG = OUTPNFLAG( NOUT,NTERM )\n\n IF ( PNFLG .NE. '' ) THEN\n LINITFLG = .TRUE.\n TYPE = OUTS1TYP( NOUT,NTERM )\n WRITE( LABL, '( I3 )' ) OUTS1NUM( NOUT,NTERM )\n IF ( LFIRST ) THEN\n LINOUT = ' IRROUT(' // OUTLBL // ') = 0.0' \n WRITE( IOUT, 93000 ) LINOUT\n WRITE( IOUT, 93000 )\n LFIRST = .FALSE.\n END IF\n\n IF ( TYPE .EQ. 'CYCL' ) THEN\n OPNAM = 'CYSM'\n ELSE\n OPNAM = 'RXSM'\n END IF\n\n CALL DOCOEFF( OUTSC( NOUT,NTERM ), COUT )\n IF ( ABS( OUTSC( NOUT,NTERM ) ) .NE. 1.0 ) THEN\n E1 = 11\n ELSE\n E1 = 1\n END IF \n\n IF ( PNFLG .EQ. 'POSONLY' ) THEN\n LINOUT = ' IF ( ' // OPNAM // '(' // LABL // \n & ') .GT. 0.0 ) THEN'\n ELSE\n LINOUT = ' IF ( ' // OPNAM // '(' // LABL // \n & ') .LT. 0.0 ) THEN'\n END IF\n\n WRITE( IOUT, 93000 ) LINOUT\n IF ( PNFLG .EQ. 'POSONLY' ) THEN\n LINOUT = ' IRROUT(' // OUTLBL // \n & ') = IRROUT(' // OUTLBL // ') ' //\n & COUT( 1:E1 ) // ' ' // OPNAM //\n & '(' // LABL // ')'\n ELSE\n LINOUT = ' IRROUT(' // OUTLBL //\n & ') = IRROUT(' // OUTLBL // ') ' //\n & COUT( 1:E1 ) // ' ABS(' // OPNAM //\n & '(' // LABL // '))'\n END IF\n\n WRITE( IOUT, 93000 ) LINOUT\n LINOUT = ' END IF'\n WRITE( IOUT, 93000 ) LINOUT\n WRITE( IOUT, 93000 )\n END IF\n\n500 CONTINUE \n\nc..Write the final equation for the output integrated reaction rates\n IF ( NIRRTERMS( NOUT ) .EQ. 0 ) THEN\n LINOUT = ' IRROUT(' // OUTLBL // ') = 0.0'\n WRITE( IOUT, 93000 ) LINOUT\n ELSE\n ICOUNT = 0\n DO 520 NTERM = 1, NIRRTERMS( NOUT )\n IF ( NTERM .EQ. 1 ) THEN\n LINOUT = ' IRROUT(' // OUTLBL // ') = '\n EQPOS1 = LEN_TRIM( LINOUT ) \n IF ( LINITFLG ) THEN\n LINOUT = LINOUT( 1:EQPOS1 ) // ' IRROUT(' //\n & OUTLBL // ')'\n WRITE( IOUT, 93000 ) LINOUT\n LINOUT =' &'\n LINOUT = LINOUT( 1:EQPOS1 )\n ICOUNT = ICOUNT + 1\n END IF \n ELSE\n LINOUT =' &'\n LINOUT = LINOUT( 1:EQPOS1 )\n END IF\n\n TYPE = OUTTYPE( NOUT,NTERM )\n IF ( TYPE .EQ. 'NAME' ) TYPE = OUTS1TYP( NOUT,NTERM ) \n PNFLG = OUTPNFLAG( NOUT,NTERM )\n\n IF ( PNFLG .EQ. 'POSONLY' .OR. PNFLG .EQ. 'NEGONLY' )\n & GO TO 520\n IF ( TYPE .EQ. 'CYCL' .AND. PNFLG .EQ. '' ) THEN\n OPNAM = 'CYSM'\n WRITE( LABL, '( I3 )' ) OUTS1NUM( NOUT,NTERM )\n ELSE IF ( TYPE .EQ. 'RXSM' .AND. PNFLG .EQ. '' ) THEN\n OPNAM = 'RXSM'\n WRITE( LABL, '( I3 )' ) OUTS1NUM( NOUT,NTERM )\n ELSE IF ( TYPE .EQ. 'RXN' ) THEN\n OPNAM = ' IRR' \n INDX = OUTRN( NOUT,NTERM )\n ELSE\n OPNAM = SAVOP( NTERM )\n LABL = SAVLBL( NTERM )\n END IF\n\n CALL DOCOEFF( OUTSC( NOUT,NTERM ), COUT )\n ICOUNT = ICOUNT + 1\n IF ( OUTSC( NOUT,NTERM ) .GT. 0.0 .AND. ICOUNT .EQ. 1 ) \n & COUT( 1:1 ) = ' '\n IF ( TYPE .EQ. 'RXN' ) THEN\n LINOUT = LINOUT( 1:EQPOS1 ) // COUT // ' ' // \n & OPNAM // '<' // \n & RJLABL( INDX )( SPOS:LABLEN ) // '>'\n ELSE\n LINOUT = LINOUT( 1:EQPOS1 ) // COUT // ' ' // \n & OPNAM // '(' // LABL( 1:3 ) // ')'\n END IF\n WRITE( IOUT, 93000 ) LINOUT\n520 CONTINUE\n END IF\n540 CONTINUE\n\n999 CONTINUE\n \n WRITE( IOUT, 93380 ) \n CLOSE( IOUT )\n RETURN\n \nC----------------------- Format Statements -----------------------------\n93000 FORMAT( A )\n\n93020 FORMAT( //'============ Process Analysis Control Module Output', \n & ' Report ============'/18X, 'Created ', A/ )\n\n!3040 FORMAT( ' ', 24X, 'OUTPUT DOMAIN SECTION'/\n! & ' Process Monitoring and IRR outputs will be generated', \n! & ' for the'/\n! & ' following cells relative to the full modeling domain.' )\n!3060 FORMAT( ' Starting column:', I4/\n! & ' Ending column: ', I4/\n! & ' Starting row: ', I4/\n! & ' Ending row: ', I4/ \n! & ' Starting layer: ', I4/\n! & ' Ending layer: ', I4 ) \n\n93080 FORMAT( 20X, 'Integrated Process Rate Section'/\n & ' No requests for IPR outputs were included', \n & ' in the command file.' )\n\n93100 FORMAT( 20X, 'Integrated Process Rate Section'/\n & ' The following section lists the IPR ', \n & 'outputs generated from the'/\n & ' command file inputs.' )\n\n93120 FORMAT( ' '/\n & ' The referenced families are defined as follows:'/\n & ' ' )\n93140 FORMAT( ' ' )\n93180 FORMAT( 20X, 'Integrated Reaction Rate Section'/\n & ' A FULL IRR analysis has been requested. Each reaction', \n & ' rate will be'/\n & ' integrated individually and output for the',\n & ' specified domain.' )\n93200 FORMAT( 20X, 'Integrated Reaction Rate Section'/\n & ' No requests for IRR analysis were included in the', \n & ' command file.' )\n93220 FORMAT( 20X, 'Integrated Reaction Rate Section'/\n & ' The following section gives a symbolic representation', \n & ' of how the'/\n & ' PARTIAL IRR outputs are calculated given the commands', \n & ' that were'/\n & ' included in the command file. The report includes', \n & ' pseudocode showing'/\n & ' how individual integrated reactions rates are', \n & ' combined to produce the '/\n & ' requested output. In the pseudocode that follows'/\n & ' '/\n & ' IRR< x > = the integrated reaction rate for '/\n & ' the reaction with label x as '/\n & ' defined in the chemical mechanism'/\n & ' '/\n & ' IRROUT( n ) = the nth integrated reaction rate'/\n & ' output that was requested'/\n & ' ' ) \n93240 FORMAT( //1X )\n93260 FORMAT( ' The IRR_OUTPUT command was specified as follows:' )\n93280 FORMAT( ' The referenced families are defined as follows:'/' ' )\n93300 FORMAT( ' The referenced cycles are defined as follows:'/' ' )\n93320 FORMAT( ' The referenced reaction sums are defined as follows:'/\n & ' ' )\n93340 FORMAT( ' The referenced operators are defined as follows:'/' ' )\n93360 FORMAT( ' The following reactions are referenced individually:'/\n & ' ' )\n93380 FORMAT( ///'========= End of Process Analysis Control Module', \n & ' Output Report =========' ) \nC-----------------------------------------------------------------------\n\n CONTAINS\n\n SUBROUTINE DOCOEFF( COEF, COUT )\n\nC-----------------------------------------------------------------------\nC Function: Transform a coefficient from numerical to character form for\nC output reports \nC-----------------------------------------------------------------------\n\n IMPLICIT NONE\n \nC Arguments:\n REAL COEF ! Coefficient for output term \n CHARACTER( * ) :: COUT ! Output coefficient\n \nC Local Variables\n INTEGER N ! Loop index\n \nC-----------------------------------------------------------------------\n\n DO N = 1, LEN( COUT )\n COUT( N:N ) = ' '\n END DO\n\n IF ( ABS( COEF ) .NE. 1.0 ) THEN\n WRITE( COUT, '( 2X, F7.4 )' ) ABS( COEF )\n COUT( 11:11 ) = '*'\n END IF \n\n IF ( COEF .GE. 0.0 ) THEN\n COUT( 1:1 ) = '+'\n ELSE\n COUT( 1:1 ) = '-'\n END IF\n\n RETURN \n\n END SUBROUTINE DOCOEFF\n\n FUNCTION INT2CHR( NOUT ) RESULT( INTSTR )\n\nC-----------------------------------------------------------------------\nC Function: Convert an integer number into character representation\nC that is left justified in a string \nC-----------------------------------------------------------------------\n USE UTILIO_DEFN\n\n IMPLICIT NONE\n \nC Arguments:\n INTEGER NOUT ! Integer number to convert\n CHARACTER( 10 ) :: INTSTR ! string holder\n\nC Local Variables:\n INTEGER EPOS1 ! Ending positions\n INTEGER SPOS1 ! Starting positions\n INTEGER LEN1 ! Length of string\n INTEGER N ! Loop index\nC-----------------------------------------------------------------------\n\n WRITE( INTSTR, '( I10 )' ) NOUT\n DO N = 1, 10\n INTSTR( N:N ) = ' '\n END DO\n\nc..Left justify the numeric string\n SPOS1 = LBLANK( INTSTR ) + 1\n EPOS1 = LEN_TRIM( INTSTR )\n LEN1 = EPOS1 - SPOS1 + 1\n INTSTR( 1:LEN1 ) = INTSTR( SPOS1:EPOS1 )\n\n RETURN\n END FUNCTION INT2CHR\n\n END SUBROUTINE PA_REPORT\n" }, { "path": "CCTM/src/procan/pa/pa_setup_ipr.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE PA_SETUP_IPR\n\nC-----------------------------------------------------------------------\nC Function: To store IPR data that will be needed to \nC generate the PA report and output INCLUDE files\n \nC Preconditions: None\n \nC Key Subroutines/Functions Called: None\n \nC Revision History:\nC Prototype created by Jerry Gipson, August, 1996\nC Modified by Jerry Gipson April, 1997, to add ADJC process\nC Modified May, 1997 by Jerry Gipson to be consistent with beta CTM\nC Modified Sept, 1997 by Jerry Gipson to be consistent with targeted CTM\nC Modified Jun, 1998 by Jerry Gipson to add PING to the CTM science processes\nC Modified Feb, 2002 by Jerry Gipson to correct IO/API variable names for\nC TOTDIF & TOTTRAN\nC Jun, 2005 Jeff Young to add HADV for yamo\nC Jan, 2006 Jeff Young: change operator names to be 4 chars - they prepend\nC species names, which must remain less that 12 chars, i.e. OPNM_<__SPECIES__>\nC 12345 67890123456\nC Aug 2011 Jeff Young: Replaced I/O API include files with IOAPI`s M3UTILIO\nC Sep 2018 C. Nolte, S. Roselle: replace M3UTILIO with UTILIO_DEFN\nC-----------------------------------------------------------------------\n USE UTILIO_DEFN\n USE PA_GLOBAL ! Mech data used \n USE PA_VARS, Only: NFAMLYS, FAMNAME, NUMFAMMEM, FAMMEMNAM, FAMSC\n USE PA_IPRVARS\n USE PA_DEFN\n USE PA_PARSE, Only: IZERO\n USE CGRID_SPCS, Only: N_CGRID_SPC, CGRID_NAME\n\n IMPLICIT NONE\n \nC Includes: None\n \nC Arguments: None\n \nC Parameters: None\n\nC External Functions: None\n\nC Local Variables:\n INTEGER IFM ! Family pointer \n INTEGER ISPC ! Species pointer\n INTEGER N ! Loop counter\n INTEGER NIPR ! Loop counter on IPR output commands\n INTEGER IPRSPC ! Loop counter on IPR output commands\n INTEGER ICG ! Loop index for species\n INTEGER ISV ! Loop index for species\n INTEGER ASTAT ! Memory allocation status\n\n LOGICAL :: LSAVSP( N_CGRID_SPC ) ! Flag to save species conc for PA\n\n CHARACTER( 16 ) :: IPRNAME_TMP( MAXIPROUT )\n CHARACTER( 60 ) :: IPRDESC_TMP( MAXIPROUT )\n INTEGER :: MAP_IPRVARtoSPC_TMP( MAXIPROUT )\n LOGICAL :: MASK_IPR_PROC_TMP( MAXIPROUT,NPRCS )\n INTEGER :: MAP_IPRtoCGRID_TMP( MAXIPRSPC,MXSPEC )\n REAL :: SPCOEF_TMP( MAXIPRSPC,MXSPEC )\n CHARACTER( 200 ) :: MSG = ' '\n \nC-----------------------------------------------------------------------\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Set up the Process analysis output pointers \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n NIPRVAR = 0\n DO NIPR = 1, N_IPR_SPC\n IF ( LEN_TRIM( IPR_SPNAM( NIPR ) ) .GT. 11 ) THEN\n WRITE( *,* ) ' '\n WRITE( MSG, 94030 ) TRIM( IPR_SPNAM( NIPR ) )\n CALL M3MESG( MSG )\n WRITE( MSG, 94031 )\n CALL M3MESG( MSG )\n END IF\n\n DO N = 1, N_IPR_OPS( NIPR )\n\n NIPRVAR = NIPRVAR + 1\n\n IF ( NIPRVAR .GT. MAXIPROUT ) THEN\n WRITE( MSG, 94000 ) \n CALL M3MESG( MSG )\n WRITE( MSG, 94020 ) MAXIPROUT\n CALL M3MESG( MSG )\n CALL M3EXIT( 'GETEXTDAT', IZERO, IZERO, ' ', XSTAT2 )\n END IF\n\n IF ( IPR_OPNAME( NIPR,N )( 1:4 ) .EQ. 'ZADV' ) THEN\n IPRNAME_TMP( NIPRVAR ) = 'ZADV_' // IPR_SPNAM( NIPR )\n IPRDESC_TMP( NIPRVAR ) = 'Z-Advection of ' // \n & IPR_SPNAM( NIPR )\n MAP_IPRVARtoSPC_TMP( NIPRVAR )= NIPR\n MASK_IPR_PROC_TMP( NIPRVAR,IPR_ZADV ) = .TRUE.\n\n ELSE IF ( IPR_OPNAME( NIPR,N )( 1:4 ) .EQ. 'XADV' ) THEN\n IPRNAME_TMP( NIPRVAR ) = 'XADV_' // IPR_SPNAM( NIPR )\n IPRDESC_TMP( NIPRVAR ) = 'Horizontal X-Advection of ' //\n & IPR_SPNAM( NIPR )\n MAP_IPRVARtoSPC_TMP( NIPRVAR )= NIPR\n MASK_IPR_PROC_TMP( NIPRVAR,IPR_XADV ) = .TRUE.\n\n ELSE IF ( IPR_OPNAME( NIPR,N )( 1:4 ) .EQ. 'YADV' ) THEN\n IPRNAME_TMP( NIPRVAR ) = 'YADV_' // IPR_SPNAM( NIPR )\n IPRDESC_TMP( NIPRVAR ) = 'Horizontal Y-Advection of ' //\n & IPR_SPNAM( NIPR )\n MAP_IPRVARtoSPC_TMP( NIPRVAR )= NIPR\n MASK_IPR_PROC_TMP( NIPRVAR,IPR_YADV ) = .TRUE.\n\n ELSE IF ( IPR_OPNAME( NIPR,N )( 1:4 ) .EQ. 'HDIF' ) THEN\n IPRNAME_TMP( NIPRVAR ) = 'HDIF_' // IPR_SPNAM( NIPR )\n IPRDESC_TMP( NIPRVAR ) = 'Horizontal diffusion for ' // \n & IPR_SPNAM( NIPR )\n MAP_IPRVARtoSPC_TMP( NIPRVAR )= NIPR\n MASK_IPR_PROC_TMP( NIPRVAR,IPR_HDIF ) = .TRUE.\n\n ELSE IF ( IPR_OPNAME( NIPR,N )( 1:4 ) .EQ. 'VDIF' ) THEN\n IPRNAME_TMP( NIPRVAR ) = 'VDIF_' // IPR_SPNAM( NIPR )\n IPRDESC_TMP( NIPRVAR ) = 'Vertical diffusion for ' // \n & IPR_SPNAM( NIPR )\n MAP_IPRVARtoSPC_TMP( NIPRVAR )= NIPR\n MASK_IPR_PROC_TMP( NIPRVAR,IPR_VDIF ) = .TRUE.\n\n ELSE IF ( IPR_OPNAME( NIPR,N )( 1:4 ) .EQ. 'EMIS' ) THEN\n IPRNAME_TMP( NIPRVAR ) = 'EMIS_' // IPR_SPNAM( NIPR )\n IPRDESC_TMP( NIPRVAR ) = 'Emissions of ' // \n & IPR_SPNAM( NIPR )\n MAP_IPRVARtoSPC_TMP( NIPRVAR )= NIPR\n MASK_IPR_PROC_TMP( NIPRVAR,IPR_EMIS ) = .TRUE.\n\n ELSE IF ( IPR_OPNAME( NIPR,N )( 1:4 ) .EQ. 'DDEP' ) THEN\n IPRNAME_TMP( NIPRVAR ) = 'DDEP_' // IPR_SPNAM( NIPR )\n IPRDESC_TMP( NIPRVAR ) = 'Dry deposition for ' // \n & IPR_SPNAM( NIPR )\n MAP_IPRVARtoSPC_TMP( NIPRVAR )= NIPR\n MASK_IPR_PROC_TMP( NIPRVAR,IPR_DDEP ) = .TRUE.\n\n ELSE IF ( IPR_OPNAME( NIPR,N )( 1:4 ) .EQ. 'CLDS' ) THEN\n IPRNAME_TMP( NIPRVAR ) = 'CLDS_' // IPR_SPNAM( NIPR )\n IPRDESC_TMP( NIPRVAR ) = 'Clouds for ' // \n & IPR_SPNAM( NIPR )\n MAP_IPRVARtoSPC_TMP( NIPRVAR )= NIPR\n MASK_IPR_PROC_TMP( NIPRVAR,IPR_CLDS ) = .TRUE.\n\n ELSE IF ( IPR_OPNAME( NIPR,N )( 1:4 ) .EQ. 'PVO3' ) THEN\n IPRNAME_TMP( NIPRVAR ) = 'PVO3_' // IPR_SPNAM( NIPR )\n IPRDESC_TMP( NIPRVAR ) = 'Potential Vorticity for ' // \n & IPR_SPNAM( NIPR )\n MAP_IPRVARtoSPC_TMP( NIPRVAR )= NIPR\n MASK_IPR_PROC_TMP( NIPRVAR,IPR_PVO3 ) = .TRUE.\n\n ELSE IF ( IPR_OPNAME( NIPR,N )( 1:4 ) .EQ. 'CHEM' ) THEN\n IPRNAME_TMP( NIPRVAR ) = 'CHEM_' // IPR_SPNAM( NIPR )\n IPRDESC_TMP( NIPRVAR ) = 'Chemistry of ' // \n & IPR_SPNAM( NIPR )\n MAP_IPRVARtoSPC_TMP( NIPRVAR )= NIPR\n MASK_IPR_PROC_TMP( NIPRVAR,IPR_CHEM ) = .TRUE.\n\n ELSE IF ( IPR_OPNAME( NIPR,N )( 1:4 ) .EQ. 'COND' ) THEN\n IPRNAME_TMP( NIPRVAR ) = 'COND_' // IPR_SPNAM( NIPR )\n IPRDESC_TMP( NIPRVAR ) = 'Condensation for ' // \n & IPR_SPNAM( NIPR )\n MAP_IPRVARtoSPC_TMP( NIPRVAR )= NIPR\n MASK_IPR_PROC_TMP( NIPRVAR,IPR_COND ) = .TRUE.\n\n ELSE IF ( IPR_OPNAME( NIPR,N )( 1:4 ) .EQ. 'COAG' ) THEN\n IPRNAME_TMP( NIPRVAR ) = 'COAG_' // IPR_SPNAM( NIPR )\n IPRDESC_TMP( NIPRVAR ) = 'Coagulation for ' // \n & IPR_SPNAM( NIPR )\n MAP_IPRVARtoSPC_TMP( NIPRVAR )= NIPR\n MASK_IPR_PROC_TMP( NIPRVAR,IPR_COAG ) = .TRUE.\n\n ELSE IF ( IPR_OPNAME( NIPR,N )( 1:5 ) .EQ. 'GROW' ) THEN\n IPRNAME_TMP( NIPRVAR ) = 'GROW_' // IPR_SPNAM( NIPR )\n IPRDESC_TMP( NIPRVAR ) = 'Aerosol Growth (Renaming) for ' // \n & IPR_SPNAM( NIPR )\n MAP_IPRVARtoSPC_TMP( NIPRVAR )= NIPR\n MASK_IPR_PROC_TMP( NIPRVAR,IPR_GROW ) = .TRUE.\n\n ELSE IF ( IPR_OPNAME( NIPR,N )( 1:3 ) .EQ. 'NPF' ) THEN\n IPRNAME_TMP( NIPRVAR ) = 'NPF_' // IPR_SPNAM( NIPR )\n IPRDESC_TMP( NIPRVAR ) = 'New Particle Formation for ' // \n & IPR_SPNAM( NIPR )\n MAP_IPRVARtoSPC_TMP( NIPRVAR )= NIPR\n MASK_IPR_PROC_TMP( NIPRVAR,IPR_NPF ) = .TRUE.\n\n ELSE IF ( IPR_OPNAME( NIPR,N )( 1:4 ) .EQ. 'AERO' ) THEN\n IPRNAME_TMP( NIPRVAR ) = 'AERO_' // IPR_SPNAM( NIPR )\n IPRDESC_TMP( NIPRVAR ) = 'Aerosol Impact on ' // \n & IPR_SPNAM( NIPR )\n MAP_IPRVARtoSPC_TMP( NIPRVAR )= NIPR\n MASK_IPR_PROC_TMP( NIPRVAR,IPR_COND ) = .TRUE.\n MASK_IPR_PROC_TMP( NIPRVAR,IPR_COAG ) = .TRUE.\n MASK_IPR_PROC_TMP( NIPRVAR,IPR_GROW ) = .TRUE.\n MASK_IPR_PROC_TMP( NIPRVAR,IPR_NPF ) = .TRUE.\n\n ELSE IF ( IPR_OPNAME( NIPR,N )( 1:4 ) .EQ. 'HADV' ) THEN\n IPRNAME_TMP( NIPRVAR ) = 'HADV_' // IPR_SPNAM( NIPR )\n IPRDESC_TMP( NIPRVAR ) = 'Horizontal Advection of ' //\n & IPR_SPNAM( NIPR )\n MAP_IPRVARtoSPC_TMP( NIPRVAR )= NIPR\n MASK_IPR_PROC_TMP( NIPRVAR,IPR_XADV ) = .TRUE.\n MASK_IPR_PROC_TMP( NIPRVAR,IPR_YADV ) = .TRUE.\n\n ELSE IF ( IPR_OPNAME( NIPR,N )( 1:4 ) .EQ. 'MADV' ) THEN\n IPRNAME_TMP( NIPRVAR ) = 'MADV_' // IPR_SPNAM( NIPR )\n IPRDESC_TMP( NIPRVAR ) = 'Horizontal and Vertical Advection of ' //\n & IPR_SPNAM( NIPR )\n MAP_IPRVARtoSPC_TMP( NIPRVAR )= NIPR\n MASK_IPR_PROC_TMP( NIPRVAR,IPR_ZADV ) = .TRUE.\n MASK_IPR_PROC_TMP( NIPRVAR,IPR_XADV ) = .TRUE.\n MASK_IPR_PROC_TMP( NIPRVAR,IPR_YADV ) = .TRUE.\n\n ELSE IF ( IPR_OPNAME( NIPR,N )( 1:4 ) .EQ. 'TDIF' ) THEN\n IPRNAME_TMP( NIPRVAR ) = 'TDIF_' // IPR_SPNAM( NIPR )\n IPRDESC_TMP( NIPRVAR ) = 'Total Diffusion of ' //\n & IPR_SPNAM( NIPR )\n MAP_IPRVARtoSPC_TMP( NIPRVAR )= NIPR\n MASK_IPR_PROC_TMP( NIPRVAR,IPR_HDIF ) = .TRUE.\n MASK_IPR_PROC_TMP( NIPRVAR,IPR_VDIF ) = .TRUE.\n\n ELSE IF ( IPR_OPNAME( NIPR,N )( 1:4 ) .EQ. 'TRNM' ) THEN\n IPRNAME_TMP( NIPRVAR ) = 'TRNM_' // IPR_SPNAM( NIPR )\n IPRDESC_TMP( NIPRVAR ) = 'Total Mass-Conserving Transport of ' //\n & IPR_SPNAM( NIPR )\n MAP_IPRVARtoSPC_TMP( NIPRVAR )= NIPR\n MASK_IPR_PROC_TMP( NIPRVAR,IPR_HDIF ) = .TRUE.\n MASK_IPR_PROC_TMP( NIPRVAR,IPR_VDIF ) = .TRUE.\n MASK_IPR_PROC_TMP( NIPRVAR,IPR_ZADV ) = .TRUE.\n MASK_IPR_PROC_TMP( NIPRVAR,IPR_XADV ) = .TRUE.\n MASK_IPR_PROC_TMP( NIPRVAR,IPR_YADV ) = .TRUE.\n\n ELSE\n MSG = 'Unknown Process ' // TRIM(IPR_OPNAME(NIPR,N )) //\n & ' has been selected in Process Analysis.'\n CALL M3EXIT( 'PA_SETUP_IPR',0,0,MSG,XSTAT2 )\n END IF\n END DO\n END DO\n\n ! Save Name and Description Vectors for Processes\n ALLOCATE( IPRNAME( NIPRVAR ),\n & IPRDESC( NIPRVAR ), \n & MAP_IPRVARtoSPC( NIPRVAR ),\n & MASK_IPR_PROC( NIPRVAR,NPRCS ),\n & STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n MSG = 'ERROR 2 allocating IPR variables'\n CALL M3EXIT ( 'PA_SETUP_IPR', 0, 0, MSG, XSTAT2 )\n END IF\n IPRNAME = IPRNAME_TMP( 1:NIPRVAR )\n IPRDESC = IPRDESC_TMP( 1:NIPRVAR )\n MAP_IPRVARtoSPC = MAP_IPRVARtoSPC_TMP( 1:NIPRVAR )\n MASK_IPR_PROC = MASK_IPR_PROC_TMP( 1:NIPRVAR,: )\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Set up the species pointers for the IPR Outputs\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n LSAVSP = .FALSE.\n\n ALLOCATE( NCGRID ( N_IPR_SPC ), \n & STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n MSG = 'ERROR 3 allocating IPR variables'\n CALL M3EXIT ( 'PA_SETUP_IPR', 0, 0, MSG, XSTAT2 )\n END IF\n \n ! Map IPR Species Names to CGRID\n MAP_IPRtoCGRID_TMP = 0\n SPCOEF_TMP = 0\n\n DO IPRSPC = 1, N_IPR_SPC\n ICG = INDEX1( IPR_SPNAM( IPRSPC ), N_CGRID_SPC, CGRID_NAME )\n IF ( ICG .NE. 0 ) THEN\n NCGRID( IPRSPC ) = 1\n MAP_IPRtoCGRID_TMP( IPRSPC,1 ) = ICG\n SPCOEF_TMP( IPRSPC,1 ) = 1.0\n ELSE\n ! This IPR Species is a Family. Find its members on CGRID\n IFM = INDEX1( IPR_SPNAM( IPRSPC ), NFAMLYS, FAMNAME )\n NCGRID( IPRSPC ) = NUMFAMMEM( IFM )\n DO N = 1, NUMFAMMEM( IFM )\n ICG = INDEX1( FAMMEMNAM( IFM,N ), N_CGRID_SPC, CGRID_NAME )\n MAP_IPRtoCGRID_TMP( IPRSPC,N ) = ICG\n SPCOEF_TMP( IPRSPC,N ) = FAMSC( IFM,N )\n END DO\n END IF\n END DO\n MXCGRID = MAX( 1, MAXVAL( NCGRID( : ) ) )\n\n ALLOCATE( MAP_IPRtoCGRID( N_IPR_SPC,MXCGRID ),\n & SPCOEF ( N_IPR_SPC,MXCGRID ), \n & STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n MSG = 'ERROR 4 allocating IPR variables'\n CALL M3EXIT ( 'PA_SETUP_IPR', 0, 0, MSG, XSTAT2 )\n END IF\n MAP_IPRtoCGRID = MAP_IPRtoCGRID_TMP( 1:N_IPR_SPC,1:MXCGRID )\n SPCOEF = SPCOEF_TMP( 1:N_IPR_SPC,1:MXCGRID )\n\n RETURN\n\nC----------------------- FORMAT Statements -----------------------------\n\n94000 FORMAT( 'ERROR: Maximum number of IPR_OUTPUTs exceeded' )\n94020 FORMAT( ' Modify PARAMETER ( MAXIPROUT =', I3,' ) or',\n & ' decrease the number of IPR_OUTPUTs' )\n94030 FORMAT( 'WARNING: Species name ', A, ' too long.' )\n94031 FORMAT( ' Combined variable name will ',\n & 'exceed the I/O-API''s 16 character limit.' )\n \n END SUBROUTINE PA_SETUP_IPR\n\n" }, { "path": "CCTM/src/procan/pa/pa_setup_irr.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE PA_SETUP_IRR\n\nC-----------------------------------------------------------------------\nC Function: To store IRR data that will be needed to\nC generate the PA report and output INCLUDE files\n \nC Preconditions: None\n \nC Key Subroutines/Functions Called: None\n \nC Revision History:\nC Prototype created by Jerry Gipson, August, 1996\nC Modified May, 1997 by Jerry Gipson to be consistent with beta CTM\nC Modified Sept, 1997 by Jerry Gipson to be consistent with targeted CTM\nC Aug 2011 Jeff Young: Replaced I/O API include files with IOAPI`s M3UTILIO\nC Sep 2018 C. Nolte, S. Roselle: replace M3UTILIO with UTILIO_DEFN\nC-----------------------------------------------------------------------\n \n USE UTILIO_DEFN\n USE PA_GLOBAL ! Mech data used \n USE PA_DEFN\n USE PA_VARS\n USE PA_PARSE\n\n IMPLICIT NONE\n \nC Includes: None\n \nC Arguments: None\n \nC Parameters: None\n\nC External Functions:\n REAL MOLCLOSS ! Function to get number of species or \n ! family molecules lost in a reaction\n REAL MOLCPROD ! Function to get number of species or \n ! family molecules produced in a reaction\n\nC Local Variables: \n\n CHARACTER( 4 ) :: NAMETYPE ! Type of name (mech or family)\n CHARACTER( 4 ) :: TYPE ! Operator type\n CHARACTER( 7 ) :: PNFLAG ! Initialization flag\n CHARACTER( 10 ) :: LBLOUT ! Holder for output label\n\n INTEGER EPOS1, EPOS2 ! Position of last non-blank character in string\n INTEGER ICOUNT ! Count of number of output terms in sum\n INTEGER INDX ! Pointer to cycle or rxsum number\n INTEGER N ! Loop index for specis and defined names\n INTEGER NAMINDX ! Pointer to species or family name\n INTEGER NCYC ! Loop index for number of cycles\n INTEGER NFAM ! Loop index for number of familys\n INTEGER NFAMIN ! Counter of no. of families in output\n INTEGER NFAMOUT ! Counter of no. of families listed for output\n INTEGER NOUT ! Loop index for number of output requests\n INTEGER NRFND ! Number of reactant species found\n INTEGER NPFND ! Number of reactant species found\n INTEGER NRX ! Loop index for number of reactions or Rxsums\n INTEGER NTERM ! Loop index for number of terms in output request\n INTEGER SPOS1, SPOS2 ! Starting position for first non-blank character\n INTEGER ASTAT ! Memory allocation staus\n\n INTEGER FAMINDX( MAXOUTTERMS ) ! Index of family\n\n REAL SUM ! Sum of molecular production and loss\n \nC-----------------------------------------------------------------------\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Store reaction data for all cycles \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n DO NCYC = 1, NCYCLES \n IF ( CYCLSPEC( NCYC ) .NE. '' ) THEN\n NAMETYPE = CYSPTYP( NCYC ) \n NAMINDX = CYSPNUM( NCYC ) \n ICOUNT = 0\n DO NRX = 1, NRXNS\n SUM = MOLCPROD( NAMETYPE, NAMINDX, NRX, NPFND ) - \n & MOLCLOSS( NAMETYPE, NAMINDX, NRX, NRFND ) \n IF ( ABS( SUM ) .GT. 0.0001 ) THEN\n ICOUNT = ICOUNT + 1\n CYRXNUM( NCYC,ICOUNT ) = NRX\n NCYTERMS( NCYC ) = ICOUNT \n CYSC( NCYC, ICOUNT ) = SUM\n END IF\n END DO\n END IF\n END DO\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Store data on the families used in each IRR_OUTPUT command\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n DO NOUT = 1, NIRROUT\n NFAMIN = 0\n\n DO N = 1, NIRRTERMS( NOUT ) \n IF ( OUTS1TYP( NOUT,N ) .EQ. 'FAM' ) THEN\n NFAMIN = NFAMIN + 1\n FAMINDX( NFAMIN ) = OUTS1NUM( NOUT,N ) \n END IF\n IF ( OUTS2TYP( NOUT,N ) .EQ. 'FAM' ) THEN\n NFAMIN = NFAMIN + 1\n FAMINDX( NFAMIN ) = OUTS2NUM( NOUT,N ) \n END IF\n IF ( OUTS3TYP( NOUT,N ) .EQ. 'FAM' ) THEN\n NFAMIN = NFAMIN + 1\n FAMINDX( NFAMIN ) = OUTS3NUM( NOUT,N ) \n END IF\n END DO\n\n IF ( NFAMIN .GT. 0 ) THEN\n NFAMOUT = 0\n DO NFAM = 1, NFAMIN\n INDX = 0\n DO N = 1, NFAMOUT\n IF ( FAMINDX( NFAM ) .EQ. OUTFAMS( NOUT,N ) ) INDX = N\n END DO\n IF ( INDX .EQ. 0 ) THEN\n NFAMOUT = NFAMOUT + 1\n OUTFAMS( NOUT,NFAMOUT ) = FAMINDX( NFAM ) \n END IF\n END DO\n NOUTFAMS( NOUT ) = NFAMOUT\n END IF\n END DO\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Store data on the cycles used in each IRR_OUTPUT command\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n DO NOUT = 1, NIRROUT\n ICOUNT = 0\n DO NTERM = 1, NIRRTERMS( NOUT ) \n IF ( OUTS1TYP( NOUT, NTERM ) .EQ. 'CYCL' ) THEN\n ICOUNT = ICOUNT + 1\n NOUTCYCS( NOUT ) = ICOUNT\n OUTCYCS( NOUT,ICOUNT ) = OUTS1NUM( NOUT,NTERM ) \n END IF\n END DO\n END DO\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Store data on all reaction sums used in each IRR_OUTPUT command\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n DO NOUT = 1, NIRROUT\n ICOUNT = 0\n DO NTERM = 1, NIRRTERMS( NOUT ) \n IF ( OUTS1TYP( NOUT, NTERM ) .EQ. 'RXSM' ) THEN\n ICOUNT = ICOUNT + 1\n NOUTRXSUMS( NOUT ) = ICOUNT\n OUTRXSUMS( NOUT,ICOUNT ) = OUTS1NUM( NOUT,NTERM ) \n END IF\n END DO\n END DO\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Store data on all operators used in each IRR_OUTPUT command\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n DO NOUT = 1, NIRROUT\n ICOUNT = 0\n DO NTERM = 1, NIRRTERMS( NOUT ) \n TYPE = OUTTYPE( NOUT,NTERM ) \n IF ( TYPE .NE. 'NAME' .AND. TYPE .NE. 'RXN' ) THEN\n ICOUNT = ICOUNT + 1\n NOUTOPS( NOUT ) = ICOUNT\n END IF\n END DO\n END DO\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Store data on individual reactions referenced in each IRR_OUTPUT\nc command\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n DO NOUT = 1, NIRROUT\n ICOUNT = 0\n DO NTERM = 1, NIRRTERMS( NOUT ) \n TYPE = OUTTYPE( NOUT,NTERM ) \n IF ( TYPE .EQ. 'RXN' ) THEN\n ICOUNT = ICOUNT + 1\n NOUTRXN( NOUT ) = ICOUNT\n END IF\n END DO\n END DO\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Store data on the defined reaction sums that initialize IRR outputs\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n NUMOUTPOS = 0\n NUMOUTNEG = 0\n NUMOUTIND = 0\n DO NOUT = 1, NIRROUT \n DO NTERM = 1, NIRRTERMS( NOUT ) \n TYPE = OUTS1TYP( NOUT,NTERM ) \n\n IF ( TYPE .EQ. 'CYCL' .OR. TYPE .EQ. 'RXSM' ) THEN\n INDX = OUTS1NUM( NOUT,NTERM ) \n IF ( TYPE .EQ. 'RXSM' ) INDX = INDX + NCYCLES \n PNFLAG = OUTPNFLAG( NOUT,NTERM ) \n IF ( PNFLAG .EQ. 'POSONLY' ) THEN\n NUMOUTPOS = NUMOUTPOS + 1\n TEMPOUTPOS_TMP( NUMOUTPOS ) = INDX\n INDXOUTPOS_TMP( NUMOUTPOS ) = NOUT\n COEFOUTPOS_TMP( NUMOUTPOS ) = OUTSC( NOUT,NTERM ) \n ELSE IF ( PNFLAG .EQ. 'NEGONLY' ) THEN\n NUMOUTNEG = NUMOUTNEG + 1\n TEMPOUTNEG_TMP( NUMOUTNEG ) = INDX\n INDXOUTNEG_TMP( NUMOUTNEG ) = NOUT\n COEFOUTNEG_TMP( NUMOUTNEG ) = OUTSC( NOUT,NTERM ) \n ELSE IF ( PNFLAG .EQ. '' ) THEN\n NUMOUTIND = NUMOUTIND + 1\n TEMPOUTIND_TMP( NUMOUTIND ) = INDX\n INDXOUTIND_TMP( NUMOUTIND ) = NOUT\n COEFOUTIND_TMP( NUMOUTIND ) = OUTSC( NOUT,NTERM ) \n END IF \n END IF\n\n END DO\n END DO\n\n ALLOCATE( TEMPOUTPOS( NUMOUTPOS ),\n & INDXOUTPOS( NUMOUTPOS ),\n & COEFOUTPOS( NUMOUTPOS ),\n & TEMPOUTNEG( NUMOUTNEG ),\n & INDXOUTNEG( NUMOUTNEG ),\n & COEFOUTNEG( NUMOUTNEG ),\n & TEMPOUTIND( NUMOUTIND ),\n & INDXOUTIND( NUMOUTIND ),\n & COEFOUTIND( NUMOUTIND ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n MSG = 'ERROR 1 allocating IRR variables'\n CALL M3EXIT ( 'PA_SETUP_IRR', 0, 0, MSG, XSTAT2 )\n END IF\n\n TEMPOUTPOS = TEMPOUTPOS_TMP( 1:NUMOUTPOS )\n INDXOUTPOS = INDXOUTPOS_TMP( 1:NUMOUTPOS )\n COEFOUTPOS = COEFOUTPOS_TMP( 1:NUMOUTPOS )\n TEMPOUTNEG = TEMPOUTNEG_TMP( 1:NUMOUTNEG )\n INDXOUTNEG = INDXOUTNEG_TMP( 1:NUMOUTNEG )\n COEFOUTNEG = COEFOUTNEG_TMP( 1:NUMOUTNEG )\n TEMPOUTIND = TEMPOUTIND_TMP( 1:NUMOUTIND )\n INDXOUTIND = INDXOUTIND_TMP( 1:NUMOUTIND )\n COEFOUTIND = COEFOUTIND_TMP( 1:NUMOUTIND )\n\n NUMTEMPS = 0 \n MXTEMPTRMS = 0\n DO NCYC = 1, NCYCLES\n NUMTEMPS = NUMTEMPS + 1\n MXTEMPTRMS = MAX( MXTEMPTRMS, NCYTERMS( NCYC ) ) \n TEMPTERMS_TMP( NUMTEMPS ) = NCYTERMS( NCYC ) \n DO N = 1, NCYTERMS( NCYC ) \n TEMPRXN_TMP( NUMTEMPS,N ) = CYRXNUM( NCYC,N ) \n TEMPCOEF_TMP( NUMTEMPS,N ) = CYSC( NCYC,N ) \n END DO\n END DO\n\n DO NRX = 1, NRXSUMS\n NUMTEMPS = NUMTEMPS + 1\n MXTEMPTRMS = MAX( MXTEMPTRMS, NRXTERMS( NRX ) ) \n TEMPTERMS_TMP( NUMTEMPS ) = NRXTERMS( NRX ) \n DO N = 1, NRXTERMS( NRX ) \n TEMPRXN_TMP( NUMTEMPS,N ) = RXSUMRN( NRX,N ) \n TEMPCOEF_TMP( NUMTEMPS,N ) = RXNSC( NRX,N ) \n END DO\n END DO\n\n ALLOCATE( TEMPTERMS( NUMTEMPS ),\n & TEMPRXN ( NUMTEMPS,MXTEMPTRMS ),\n & TEMPCOEF ( NUMTEMPS,MXTEMPTRMS ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n MSG = 'ERROR 2 allocating IRR variables'\n CALL M3EXIT ( 'PA_SETUP_IRR', 0, 0, MSG, XSTAT2 )\n END IF\n\n TEMPTERMS = TEMPTERMS_TMP( 1:NUMTEMPS )\n TEMPRXN = TEMPRXN_TMP ( 1:NUMTEMPS,1:MXTEMPTRMS )\n TEMPCOEF = TEMPCOEF_TMP ( 1:NUMTEMPS,1:MXTEMPTRMS )\n\n IF ( LFULLIRR ) THEN\n DO N = 1, NRXNS\n WRITE( LBLOUT, '( I10 )' ) N\n SPOS1 = LBLANK( LBLOUT ) + 1\n EPOS1 = LEN_TRIM( LBLOUT ) \n SPOS2 = LBLANK( RXLABEL( N ) ) + 1\n EPOS2 = LEN_TRIM( RXLABEL( N ) ) \n IRRNAME( N ) = 'IRR_' // LBLOUT( SPOS1:EPOS1 ) \n IRRDESC( N ) = 'IRR_' // LBLOUT( SPOS1:EPOS1 )\n & // ': ' // '<' //\n & RXLABEL( N )( SPOS2:EPOS2 ) // '>'\n END DO\n END IF\n\n RETURN\n\n END SUBROUTINE PA_SETUP_IRR\n" }, { "path": "CCTM/src/procan/pa/pa_update.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n MODULE PA_UPDATE\n \n USE GRID_CONF ! horizontal & vertical domain configuration\n USE CGRID_SPCS, ONLY : N_CGRID_SPC, CGRID_MASK_AERO,N_AE_SPC, N_SPC_DEPV,\n & MAP_DEPVtoCGRID, CGRID_MASK_GAS, CGRID_MASK_NR,\n & CGRID_MASK_NUM, CGRID_MASK_SRF, CGRID_MASK_TRAC,\n & CGRID_MW ! CGRID mechanism species\n USE VDIFF_MAP, ONLY : N_SPC_DIFF, DIFF_MW, DIFF_MASK_NUM, DIFF_MASK_SRF, DIFF_MAP\n USE PA_DEFN ! Process Anaylsis control and data variables\n USE PAGRD_DEFN ! PA horiz domain specs\n USE UTILIO_DEFN ! inherits PARUTILIO\n USE DESID_VARS\n USE CENTRALIZED_IO_MODULE\n USE BUDGET_DEFN\n\n#ifndef mpas\n#ifdef parallel\n USE SE_MODULES ! stenex (using SE_UTIL_MODULE, SE_DATA_COPY_MODULE)\n#else\n USE NOOP_MODULES ! stenex (using NOOP_UTIL_MODULE, NOOP_DATA_COPY_MODULE)\n#endif\n#endif\n \n PUBLIC PA_UPDATE_PROC, PA_UPDATE_EMIS, PA_UPDATE_DDEP,\n & PA_UPDATE_HADV, PA_UPDATE_AERO\n\n PRIVATE\n\n REAL, ALLOCATABLE, SAVE :: CNGRD( :,:,:,: )\n\n CONTAINS\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE PA_UPDATE_PROC( IPR_ID, CGRID, JDATE, JTIME, TSTEP, LCOUPLE )\n\nC-----------------------------------------------------------------------\nC Function: Update the Process Analysis output arrays (for IPR only)\n \nC Preconditions: None\n \nC Key Subroutines/Functions Called: None\n \nC Revision History:\nC Prototype created by Jerry Gipson, July, 1996\nC Modified May, 1997 by Jerry Gipson to be consistent with beta CTM\nC Modified Sept, 1997 by Jerry Gipson to be consistent with targeted CTM\nC Modified March, 1998 by Jerry Gipson to use units of moles/s for all\nC emisssions except aerosols\nC Modified Jun, 1998 by Jerry Gipson to add PING process\nC Modified Jun, 1998 by Jerry Gipson to print warning for unexpected\nC processes rather than abort\nC Modified 1/19/99 by David Wong at LM:\nC -- add DATA_COPY function call to redistribute PA grid\nC Modified 2/26/99 by David Wong at LM:\nC -- replaced DATA_COPY function with dimension specific\nC DATA_COPY function and modified its argument list\nC -- used ifdef statement to distinguish parallel\nC implementation of IRR calculation which does not\nC start at the origin\nC Modified 4/13/00 by Jerry Gipson to add AE surface area and correct AE\nC deposition sign\nC Modified 4/17/00 by David Wong at LM:\nC -- bug fix: declare TDDEP as a 2D data rather than 3D,\nC and use 2DE DATA COPY communication routine rather\nC than 3D DATA COPY routine\nC Modified 5/4/00 by Jerry Gipson to correct DDEP calculations\nC Modified 22 Nov 00 by J.Young: Dave Wong`s f90 stenex DATA_COPY -\nC must explicitlt dimension CGRID, VEMIS, and DDEP\nC Modified 20 Jun 01 by J.Young: VEMIS, assumed shape\nC VEMIS assumed converted to ppm/sec form\nC NOTE: the arguments to DATA_COPY must have the layer\nC dimension the same as the full domain.\nC Modified 28 aug 01 by J.Young: dyn alloc - Use PAGRD_DEFN,\nC which uses HGRD_DEFN; replace INTERP3 with INTERPX\nC 7 Mar 02 - J.Young: add units string variations\nC Modified 9 Oct 03 by J.Gipson: fixed subscript error for NR EMIS IPRs & re-did\nC AE EMIS IPRS for VEMIS in ppm units rather than\nC ug/m3 units\nC Modified 5 Nov 03 by J. Gipson to fix DDEP IPRs\nC Modified 25 Nov 03 by J Gipson to use step end time for couple/decouple\nC Modified 31 Jan 05 J.Young: dyn alloc - establish both horizontal & vertical\nC domain specifications in one module (GRID_CONF)\nC 3 Apr 09 J.Young: replace EMISPRM... include files with simpler implementation\nC 21 Jun 10 J.Young: convert for Namelist redesign\nC 16 Feb 11 S.Roselle: replaced I/O API include files with UTILIO_DEFN\nC 11 May 11 D.Wong: incorporated twoway model implementation\nC 19 Jan 16 J.Young: flag for couple/decouple\nC 6 May 16 J.Young: don`t couple/decouple; copy cgrid locally; only decouple the copy\nC 16 Sep 16 J.Young: update for inline procan (IRR)\nC 01 Feb 19 D.Wong: Implemented centralized I/O approach\nC-----------------------------------------------------------------------\n\n\n IMPLICIT NONE \n\n ! Includes:\n INCLUDE SUBST_CONST ! Constants\n INCLUDE SUBST_FILES_ID ! file name parameters\n INCLUDE SUBST_EMISPRM ! Emissions processing control parameters\n \n ! Arguments:\n INTEGER, INTENT( IN ) :: IPR_ID ! Last process called\n REAL , INTENT( IN ) :: CGRID( :,:,:,: ) ! Conc array\n INTEGER, INTENT( IN ) :: JDATE ! current date, format YYYYDDD\n INTEGER, INTENT( IN ) :: JTIME ! current time, format HHMMSS\n INTEGER, INTENT( IN ) :: TSTEP( 3 ) ! time step vector (HHMMSS)\n ! TSTEP(1) = local output step\n ! TSTEP(2) = sciproc sync. step (chem)\n ! TSTEP(3) = twoway model time step w.r.t. wrf time\n ! step and wrf/cmaq call frequency\n LOGICAL, INTENT( IN ) :: LCOUPLE ! Flag for couple/decouple HADV, ZADV, and HDIFF\n\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n\n ! Local Variables:\n CHARACTER( 80 ) :: MSG ! Message for output log\n CHARACTER( 16 ) :: PNAME = 'PA_UPDATE_PROC' ! Routine name\n CHARACTER( 16 ) :: UNITS ! Units of emissions\n CHARACTER( 16 ) :: VNAME ! input variable name list\n\n INTEGER ASTAT ! Allocate status code\n INTEGER C, R, L ! Loop index for columns\n INTEGER IPRSPC ! Index for each process species\n INTEGER IPRV ! Index for each combination of species-process\n INTEGER ISPC ! Index for each process species within each family\n INTEGER ICG ! Index for species in cgrid array\n INTEGER ISV ! Index for species in saved array\n INTEGER MDATE ! Date of mid-point of timestep\n INTEGER MTIME ! Time of mid-point of timestep\n INTEGER N ! Loop index for saved species conc array\n INTEGER PC,PR,PL ! Index for PA output column\n REAL DT ! Timestep in seconds\n INTEGER SDATE ! Date at end of timestep\n INTEGER STIME ! Time at end of timestep\n INTEGER I\n LOGICAL LCOUPLE_LOCAL\n\n REAL :: TCGRID ( MY_PACOLS,MY_PAROWS,PALEVS ) \n REAL, ALLOCATABLE, SAVE :: D_CNGRD( :,:,:,: )\n!-----------------------------------------------------------------------\n\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n\n IF ( .NOT. ALLOCATED( CNGRD ) ) THEN\n ALLOCATE ( CNGRD( NCOLS,NROWS,NLAYS,N_CGRID_SPC ),\n & STAT = ASTAT )\n CALL CHECKMEM( ASTAT, 'CNGRD', PNAME )\n END IF\n \n IF ( .NOT. ALLOCATED( CSAV ) ) THEN\n ALLOCATE ( CSAV( NCOLS,NROWS,NLAYS,N_CGRID_SPC ),\n & STAT = ASTAT )\n CALL CHECKMEM( ASTAT, 'CSAV', PNAME )\n END IF\n \n ALLOCATE ( D_CNGRD( NCOLS,NROWS,NLAYS,N_CGRID_SPC ),\n & STAT = ASTAT )\n CALL CHECKMEM( ASTAT, 'D_CNGRD', PNAME )\n END IF\n\n ! Load local CGRID Array\n DO I = 1,N_CGRID_SPC\n DO L = 1,NLAYS\n DO R = 1,NROWS\n DO C = 1,NCOLS\n CNGRD(C,R,L,I) = CGRID(C,R,L,I) \n END DO\n END DO\n END DO\n END DO\n\n ! Couple all concentrations arrays in decoupled space\n IF ( .NOT. LCOUPLE ) \n & CALL COUPLE_PA( IPR_ID, CNGRD, JDATE, JTIME, .FALSE. ) \n \n ! Make sure to couple the saved array if this is VDIFF, the first\n ! process\n IF ( IPR_ID .EQ. IPR_VDIF )\n & CALL COUPLE_PA( IPR_ID, CSAV, JDATE, JTIME, .FALSE. ) \n\n ! Calculate Budget Change\n IF (BUDGET_DIAG) CALL STORE_BUDGET( IPR_ID, CNGRD, JDATE, JTIME, .TRUE. )\n\n ! Calculate change, and save for later. The arrays are in coupled\n ! mass concentration space for all coupled processes and for the\n ! call immediately after the 'decouple' step. Otherwise the arrays\n ! are in decoupled mixing ratio units for gases and decoupled mass\n ! concentration for aerosols.\n DO I = 1,N_CGRID_SPC\n DO L = 1,NLAYS\n DO R = 1,NROWS\n DO C = 1,NCOLS\n D_CNGRD(C,R,L,I) = CNGRD(C,R,L,I) - CSAV(C,R,L,I)\n CSAV(C,R,L,I) = CNGRD(C,R,L,I)\n ! Note that CSAV from the first IPR_ZADV (coupling) process will be\n ! overwritten in pa_update_hadv for use after the main IPR_ZADV\n ! call\n END DO\n END DO\n END DO\n END DO\n \n ! Convert the change in coupled mass concentrations to change in\n ! mixing ratio \n D_CNGRD( :,:,:,RHOJ_LOC ) = CNGRD( :,:,:,RHOJ_LOC )\n CALL DECOUPLE_PA( IPR_ID, D_CNGRD, JDATE, JTIME, .FALSE. )\n \n ! Compute Contribution for Process Analysis \n IF ( LIPR ) THEN\n ! Compute delta conc for this process if requested\n DO IPRV = 1,NIPRVAR\n IF ( MASK_IPR_PROC( IPRV,IPR_ID ) ) THEN\n IPRSPC = MAP_IPRVARtoSPC( IPRV )\n DO ISPC = 1, NCGRID( IPRSPC )\n ICG = MAP_IPRtoCGRID( IPRSPC,ISPC )\n \n#ifdef parallel\n CALL SUBST_DATA_COPY( D_CNGRD, TCGRID, ICG )\n#else \n TCGRID( :,:,: ) = D_CNGRD( PA_BEGCOL:PA_ENDCOL,PA_BEGROW:PA_ENDROW,\n & PA_BEGLEV:PA_ENDLEV,ICG )\n#endif\n \n DELC( :,:,:,IPRV ) = DELC( :,:,:,IPRV ) + SPCOEF( IPRSPC,ISPC ) \n & * TCGRID( :,:,: ) \n END DO\n END IF\n END DO\n END IF\n\n\n RETURN\n END SUBROUTINE PA_UPDATE_PROC\n\n!cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n! Emissions processing section\n!cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n SUBROUTINE PA_UPDATE_EMIS( VEMIS, JDATE, JTIME, TSTEP )\n\n IMPLICIT NONE\n\n ! Includes:\n INCLUDE SUBST_CONST ! Constants\n INCLUDE SUBST_FILES_ID ! file name parameters\n INCLUDE SUBST_EMISPRM ! Emissions processing control parameters\n \n REAL :: VEMIS ( :,:,:,: ) ! Emission rates (g/s)\n ! layer dimension\n ! corresponds to NLAYS\n INTEGER, INTENT( IN ) :: JDATE ! current date, format YYYYDDD\n INTEGER, INTENT( IN ) :: JTIME ! current time, format HHMMSS\n INTEGER, INTENT( IN ) :: TSTEP( 3 ) ! time step vector (HHMMSS)\n ! TSTEP(1) = local output step\n ! TSTEP(2) = sciproc sync. step (chem)\n ! TSTEP(3) = twoway model time step w.r.t. wrf time\n ! step and wrf/cmaq call frequency\n\n ! aerosol emission conversion factor terms\n REAL, PARAMETER :: GPKG = 1.0E+03 ! g kg-1\n REAL, PARAMETER :: MGPG = 1.0E+06 ! ug g-1\n REAL, PARAMETER :: REFAC = GPKG / MWAIR ! mol kg -1\n\n ! ae_conversion factors\n REAL, ALLOCATABLE, SAVE :: PA_EMIS_CONV( : )\n\n REAL :: DENS ( NCOLS,NROWS,NLAYS ) ! Density of air\n REAL :: TVEMIS ( MY_PACOLS,MY_PAROWS,PALEVS ) ! Computed emission rate\n \n INTEGER ASTAT ! Allocate status code\n INTEGER C, R, L ! Loop index for columns\n INTEGER IPRSPC ! Index for each process species\n INTEGER ISPC ! Index for each process species within each family\n INTEGER IPRV ! Index for each combination of species-process\n INTEGER ICG ! Index for species in cgrid array\n INTEGER ISV ! Index for species in saved array\n INTEGER I\n REAL DT\n INTEGER MDATE ! Date of mid-point of timestep\n INTEGER MTIME ! Time of mid-point of timestep\n \n CHARACTER( 80 ) :: MSG ! Message for output log\n CHARACTER( 16 ) :: PNAME = 'PA_UPDATE_EMIS' ! Routine name\n LOGICAL,SAVE :: FIRST_TIME = .TRUE.\n\n ! On first call, set pointers to emission species\n IF ( FIRST_TIME ) THEN\n FIRST_TIME = .FALSE.\n\n IF ( .NOT. ALLOCATED( CNGRD ) ) THEN\n ALLOCATE ( CNGRD( NCOLS,NROWS,NLAYS,N_CGRID_SPC ),\n & STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n MSG = '*** ERROR allocating CNGRD'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n END IF\n END IF\n\n ALLOCATE ( PA_EMIS_CONV( N_CGRID_SPC ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n MSG = 'Failure allocating PA_EMIS_CONV'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n END IF\n\n ! Get conversion factors for aero emissions; incoming\n ! units are in ppmV/sec for ae species, #/mol/sec for\n ! NUM, and m2/mol/sec for SRF. PA_EMIS_CONV Conversion \n ! factors convert to ug/kg sec, #/kg sec, and m2/kg \n ! sec, respectively.\n PA_EMIS_CONV = 1.0\n WHERE ( CGRID_MASK_NUM ) \n PA_EMIS_CONV( : ) = REFAC \n ELSEWHERE ( CGRID_MASK_SRF ) \n PA_EMIS_CONV( : ) = REFAC \n ELSEWHERE\n PA_EMIS_CONV( : ) = REFAC * CGRID_MW( : )\n END WHERE\n\n END IF ! LEMFIRST\n\n ! Compute delta conc due to emissions and adjust vdiff or chem\n ! output if necessary for each output species\n DT = FLOAT( TIME2SEC( TSTEP( 2 ) ) )\n\n ! Get air density\n call interpolate_var ('DENS', JDATE, JTIME, DENS)\n \n ! Convert Aerosol Emissions To Correct Units and Apply Species\n ! Coefficients. ug m-3 | N m-3 | and m2 m-3. Gas species will\n ! be converted from kmol to kg later in the budget_write step.\n CNGRD = VEMIS * DT\n DO ICG = 1,N_CGRID_SPC\n IF ( CGRID_MASK_AERO( ICG ) ) \n & CNGRD(:,:,:,ICG) = CNGRD(:,:,:,ICG) * \n & DENS( :,:,: ) * PA_EMIS_CONV( ICG )\n END DO\n \n ! Save Changes in Budget Array\n IF (BUDGET_DIAG) CALL STORE_BUDGET( IPR_EMIS, CNGRD, JDATE, JTIME, .FALSE. )\n\n ! Save Changes in Process Analysis Array\n IF ( LIPR ) THEN\n\n ! Get midpoint of time step\n MDATE = JDATE\n MTIME = JTIME\n CALL NEXTIME( MDATE, MTIME, SEC2TIME( TIME2SEC( TSTEP( 2 ) ) / 2 ) ) \n\n ! Get air density\n call interpolate_var ('DENS', mdate, mtime, DENS)\n \n DO ICG = 1,N_CGRID_SPC\n IF ( CGRID_MASK_AERO( ICG ) ) \n & VEMIS(:,:,:,ICG) = VEMIS(:,:,:,ICG) * DT *\n & PA_EMIS_CONV(ICG) * DENS( :,:,: )\n END DO\n \n DO IPRV = 1,NIPRVAR\n IF ( MASK_IPR_PROC( IPRV,IPR_VDIF ) .OR. \n & MASK_IPR_PROC( IPRV,IPR_EMIS ) ) THEN\n ! Either VDIF or EMIS are needed for this IPR Variable.\n IPRSPC = MAP_IPRVARtoSPC( IPRV ) \n \n DO ISPC = 1, NCGRID( IPRSPC ) ! foreach species in the family\n ICG = MAP_IPRtoCGRID( IPRSPC,ISPC ) ! CTM species index in the family\n \n ! Retrieve Emissions for this Time Step\n#ifdef parallel \n CALL SUBST_DATA_COPY ( VEMIS, TVEMIS, ICG )\n#else \n TVEMIS( :,:,: ) = VEMIS( PA_BEGROW:PA_ENDROW,\n & PA_BEGCOL:PA_ENDCOL,\n & PA_BEGLEV:PA_ENDLEV,\n & ICG )\n#endif \n ! Add up Emissions and/or Vdiff depending on the process mask\n IF ( MASK_IPR_PROC( IPRV,IPR_EMIS ) )\n & DELC( :,:,:,IPRV ) = DELC( :,:,:,IPRV ) \n & + TVEMIS( :,:,: ) * SPCOEF( IPRSPC,ISPC )\n \n IF ( MASK_IPR_PROC( IPRV,IPR_VDIF ) )\n & DELC( :,:,:,IPRV ) = DELC( :,:,:,IPRV ) \n & - TVEMIS( :,:,: ) * SPCOEF( IPRSPC,ISPC )\n END DO\n END IF\n END DO\n END IF\n\n RETURN\n END SUBROUTINE PA_UPDATE_EMIS\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Dry Deposition processing section\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n SUBROUTINE PA_UPDATE_DDEP( DDEP, JDATE, JTIME, TSTEP )\n\n IMPLICIT NONE\n\n ! Includes:\n INCLUDE SUBST_CONST ! Constants\n INCLUDE SUBST_FILES_ID ! file name parameters\n INCLUDE SUBST_EMISPRM ! Emissions processing control parameters\n \n ! Additional or other Arguments for ENTRY`s\n REAL :: DDEP ( :,:,: ) ! Dry dep (Kg/ha)\n INTEGER, INTENT( IN ) :: JDATE ! current date, format YYYYDDD\n INTEGER, INTENT( IN ) :: JTIME ! current time, format HHMMSS\n INTEGER, INTENT( IN ) :: TSTEP( 3 ) ! time step vector (HHMMSS)\n ! TSTEP(1) = local output step\n ! TSTEP(2) = sciproc sync. step (chem)\n ! TSTEP(3) = twoway model time step w.r.t. wrf time\n ! step and wrf/cmaq call\n ! frequency\n\n ! ae_conversion factors\n REAL, ALLOCATABLE, SAVE :: PA_DEPV_CONV( : )\n\n REAL, SAVE :: CONVDD ! Conversion factor for dry dep\n LOGICAL, SAVE :: LDDFIRST = .TRUE. ! Flag for 1st call of ddep processing\n\n ! 1 hectare = 1.0e4 m**2\n REAL, PARAMETER :: CONVH2M = 1.0E-4\n\n ! mass to ppm factor\n REAL, PARAMETER :: CONVMW = 1.0E+06 * MWAIR ! ug mol-1\n\n REAL :: DENS ( NCOLS,NROWS,NLAYS ) ! Density of air\n REAL :: TDDEP ( MY_PACOLS,MY_PAROWS )\n REAL :: ZF ( NCOLS,NROWS,NLAYS ) ! Layer heights\n\n INTEGER ASTAT ! Allocate status code\n INTEGER C, R, L ! Loop index for columns\n INTEGER IPRSPC ! Index for each process species\n INTEGER ISPC ! Index for each process species within each family\n INTEGER IPRV ! Index for each combination of species-process\n INTEGER ICG ! Index for species in cgrid array\n INTEGER ISV ! Index for species in saved array\n INTEGER MDATE ! Date of mid-point of timestep\n INTEGER MTIME ! Time of mid-point of timestep\n INTEGER I\n \n CHARACTER( 80 ) :: MSG ! Message for output log\n CHARACTER( 16 ) :: PNAME = 'PA_UPDATE_DDEP' ! Routine name\n LOGICAL,SAVE :: FIRST_TIME = .TRUE.\n\n\n ! On first call, set pointers to deposition species \n IF ( FIRST_TIME ) THEN\n FIRST_TIME = .FALSE. \n\n ALLOCATE ( PA_DEPV_CONV( N_CGRID_SPC ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n MSG = 'Failure allocating PA_DEPV_CONV'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n END IF\n\n ! Set layer thickenesses\n CONVDD = 1.0 / ABS ( VGLVS_GD( 2 ) - VGLVS_GD( 1 ) ) \n\n PA_DEPV_CONV = 1.0\n DO ICG = 1,N_CGRID_SPC\n ! Initialize DEPV conversion vector assuming all are gases\n IF ( CGRID_MASK_GAS( ICG ) .OR. \n & CGRID_MASK_NR( ICG ) .OR.\n & CGRID_MASK_TRAC( ICG ) ) THEN\n ! Species is a gas\n ! g mol-1 air / g mol -1 species\n IF ( CGRID_MW( ICG ) .GT. 0. ) \n & PA_DEPV_CONV( ICG ) = MWAIR / CGRID_MW( ICG ) !* CONVDD\n\n ELSE IF ( CGRID_MASK_NUM( ICG ) .OR. \n & CGRID_MASK_SRF( ICG ) ) THEN\n ! Species is an aerosol number or surface area\n PA_DEPV_CONV( ICG ) = 1.0\n\n ELSEIF ( CGRID_MASK_AERO( ICG ) ) THEN\n ! Species is an aerosol mass (kg ha-1 -> ug ha-1)\n PA_DEPV_CONV( ICG ) = 1.0E+09\n END IF\n END DO\n \n END IF ! First Time\n\n ! Get density x jacobian and layer heights\n call interpolate_var ('DENS', jdate, jtime, DENS)\n call interpolate_var ('ZF', jdate, jtime, ZF)\n\n ! Convert DDEP to ppm, ug m-3, N m-3, and m2 m-3\n CNGRD(:,:,1,: ) = -DDEP * CONVH2M \n CNGRD( :,:,2:NLAYS,: ) = 0.0\n\n DO ICG = 1,N_CGRID_SPC\n IF ( CGRID_MASK_AERO( ICG ) ) THEN\n CNGRD(:,:,1,ICG) = CNGRD(:,:,1,ICG) * PA_DEPV_CONV( ICG ) / ZF( :,:,1 )\n ELSE\n CNGRD(:,:,1,ICG) = 1.0E+06 * CNGRD(:,:,1,ICG) * PA_DEPV_CONV( ICG ) / DENS( :,:,1 ) / ZF(:,:,1)\n END IF\n END DO\n \n ! Save Changes in Budget Array\n IF (BUDGET_DIAG) CALL STORE_BUDGET( IPR_DDEP, CNGRD, JDATE, JTIME, .FALSE. )\n\n\nC..Store Changes in Process Analysis Array \n IF ( LIPR .AND. MY_BEGLEV .EQ. 1 ) THEN\nC..get midpoint of time step\n MDATE = JDATE\n MTIME = JTIME\n CALL NEXTIME( MDATE, MTIME, SEC2TIME( TIME2SEC( TSTEP( 2 ) ) / 2 ) )\n\nC..get density x jacobian and layer heights\n call interpolate_var ('DENS', mdate, mtime, DENS)\n call interpolate_var ('ZF', mdate, mtime, ZF)\n\n ! Convert DDEP to ppm, ug m-3, N m-3, and m2 m-3\n DDEP = DDEP * CONVH2M \n\n DO ICG = 1,N_CGRID_SPC\n IF ( CGRID_MASK_AERO( ICG ) ) THEN\n DDEP(:,:,ICG) = DDEP(:,:,ICG) * PA_DEPV_CONV( ICG ) / ZF( :,:,1 )\n ELSE\n DDEP(:,:,ICG) = 1.0E+06 * DDEP(:,:,ICG) * PA_DEPV_CONV( ICG ) / DENS( :,:,1 ) / ZF(:,:,1)\n END IF\n END DO\n \n ! Compute delta conc due to ddep and adjust vdiff output if necessary\n DO IPRV = 1, NIPRVAR\n IF ( MASK_IPR_PROC( IPRV,IPR_VDIF ) .OR. \n & MASK_IPR_PROC( IPRV,IPR_DDEP ) ) THEN\n ! Either VDIF or EMIS are needed for this IPR Variable.\n IPRSPC = MAP_IPRVARtoSPC( IPRV ) \n\n DO ISPC = 1, NCGRID( IPRSPC ) \n ICG = MAP_IPRtoCGRID( IPRSPC,ISPC )\n\n#ifdef parallel\n CALL SUBST_DATA_COPY( DDEP, TDDEP, ICG )\n#else\n TDDEP = DDEP( PA_BEGCOL:PA_ENDCOL,\n & PA_BEGROW:PA_ENDROW,\n & ICG )\n#endif\n ! Adjust the process analysis output arrays\n IF ( MASK_IPR_PROC( IPRV,IPR_DDEP ) )\n & DELC( :,:,1,IPRV ) = DELC( :,:,1,IPRV ) \n & - TDDEP( :,: ) * SPCOEF( IPRSPC,ISPC )\n\n IF ( MASK_IPR_PROC( IPRV,IPR_VDIF ) )\n & DELC( :,:,1,IPRV ) = DELC( :,:,1,IPRV ) \n & + TDDEP( :,: ) * SPCOEF( IPRSPC,ISPC )\n END DO ! ISPC\n END IF\n END DO ! IPRV\n END IF\n\n RETURN\n\n END SUBROUTINE PA_UPDATE_DDEP\n\n!:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE PA_UPDATE_HADV ( CGRID, JDATE, JTIME, TSTEP )\n\n!-----------------------------------------------------------------------\n USE XY_BUDGET\n USE PA_DEFN\n USE UTILIO_DEFN\n USE PAGRD_DEFN\n USE CGRID_SPCS, ONLY : RHOJ_LOC\n use CENTRALIZED_IO_MODULE, only : interpolate_var\n\n IMPLICIT NONE\n\n REAL, INTENT( IN ) :: CGRID( :,:,:,: ) ! Conc array\n INTEGER, INTENT( IN ) :: JDATE, JTIME\n INTEGER, INTENT( IN ) :: TSTEP(3)\n INTEGER SDATE ! Date at end of timestep\n INTEGER STIME ! Time at end of timestep\n\n REAL :: TXADV ( MY_PACOLS,MY_PAROWS,PALEVS ) ! Computed emission rate\n REAL :: TYADV ( MY_PACOLS,MY_PAROWS,PALEVS ) ! Computed emission rate\n\n INTEGER :: IPRV\n INTEGER :: ICG, ISPC, IPRSPC, ISV\n LOGICAL,SAVE :: FIRSTIME = .TRUE.\n INTEGER I, L, R, C, ASTAT\n\n IF ( FIRSTIME ) THEN \n FIRSTIME = .FALSE.\n END IF\n\n ! Load scalars in local array \n DO I = 1,N_CGRID_SPC\n DO L = 1,NLAYS\n DO R = 1,NROWS\n DO C = 1,NCOLS\n CNGRD(C,R,L,I) = CGRID(C,R,L,I)\n END DO\n END DO\n END DO\n END DO\n \n IF ( LIPR ) THEN\n ! Convert X and Y Advection changes to mixing ratio and\n ! concentration units. The DECOUPLE_PA routine needs to have the\n ! correct RHOJ so this is passed from CNGRD\n \n DELC_XADV( :,:,:,RHOJ_LOC ) = CNGRD( :,:,:,RHOJ_LOC )\n CALL DECOUPLE_PA( IPR_XADV, DELC_XADV, JDATE, JTIME, .FALSE. )\n\n DELC_YADV( :,:,:,RHOJ_LOC ) = CNGRD( :,:,:,RHOJ_LOC )\n CALL DECOUPLE_PA( IPR_YADV, DELC_YADV, JDATE, JTIME, .FALSE. )\n\n ! Save Changes in Budget Array\n IF (BUDGET_DIAG) CALL STORE_BUDGET( IPR_XADV, DELC_XADV, JDATE, JTIME, .FALSE. )\n IF (BUDGET_DIAG) CALL STORE_BUDGET( IPR_YADV, DELC_YADV, JDATE, JTIME, .FALSE. )\n\n DO IPRV = 1, NIPRVAR ! foreach family\n IPRSPC = MAP_IPRVARtoSPC( IPRV ) \n DO ISPC = 1,NCGRID( IPRSPC ) ! foreach species in the family\n ICG = MAP_IPRtoCGRID( IPRSPC,ISPC ) ! CGRID species index \n\n#ifdef parallel\n CALL SUBST_DATA_COPY( DELC_XADV, TXADV, ICG )\n CALL SUBST_DATA_COPY( DELC_YADV, TYADV, ICG )\n#else\n TXADV = DELC_XADV( PA_BEGCOL:PA_ENDCOL,\n & PA_BEGROW:PA_ENDROW,\n & PA_BEGLEV:PA_ENDLEV, ICG )\n TYADV = DELC_YADV( PA_BEGCOL:PA_ENDCOL,\n & PA_BEGROW:PA_ENDROW,\n & PA_BEGLEV:PA_ENDLEV, ICG )\n#endif\n\n ! Modify both the emiss process and the calling process\n IF ( MASK_IPR_PROC( IPRV,IPR_XADV ) ) THEN\n DELC( :,:,:,IPRV ) = DELC( :,:,:,IPRV )\n & + SPCOEF( IPRSPC,ISPC ) * TXADV\n END IF\n\n IF ( MASK_IPR_PROC( IPRV,IPR_YADV ) ) THEN\n DELC( :,:,:,IPRV ) = DELC( :,:,:,IPRV )\n & + SPCOEF( IPRSPC,ISPC ) * TYADV\n END IF\n END DO\n END DO\n\n DELC_XADV = 0.0\n DELC_YADV = 0.0\n END IF\n ! Send the scalar array to the budget routine.\n ! Remember these are coupled units coming after horizontal\n ! advection. \n IF (BUDGET_DIAG) CALL STORE_BUDGET( BDGSAVE_ID, CNGRD, JDATE, JTIME, .TRUE. )\n\n ! Save the coupled CNGRD array so it can be differenced and then \n ! decoupled (converted to mixing ratio) for the IPR_ZADV process\n ! analysis quantityt.\n DO I = 1,N_CGRID_SPC\n DO L = 1,NLAYS\n DO R = 1,NROWS\n DO C = 1,NCOLS\n CSAV(C,R,L,I) = CNGRD(C,R,L,I)\n END DO\n END DO\n END DO\n END DO\n RETURN\n \n END SUBROUTINE PA_UPDATE_HADV\n \n!:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE PA_UPDATE_AERO ( CGRID, JDATE, JTIME )\n\n!-----------------------------------------------------------------------\n USE AERO_BUDGET\n USE PA_DEFN\n USE UTILIO_DEFN\n USE PAGRD_DEFN\n\n\n IMPLICIT NONE\n\n REAL, POINTER :: CGRID( :,:,:,: ) ! Conc array\n INTEGER, INTENT( IN ) :: JDATE, JTIME\n\n INTEGER :: ICG, IPRV, IPRSPC, ISPC, ISV\n INTEGER :: I, R, C, L\n LOGICAL,SAVE :: FIRST_TIME = .TRUE.\n\n REAL :: TCOAG ( MY_PACOLS,MY_PAROWS,PALEVS ) ! Computed emission ratedd\n REAL :: TCOND ( MY_PACOLS,MY_PAROWS,PALEVS ) ! Computed emission rate\n REAL :: TNPF ( MY_PACOLS,MY_PAROWS,PALEVS ) ! Computed emission rate\n REAL :: TGROW ( MY_PACOLS,MY_PAROWS,PALEVS ) ! Computed emission rate\n\n ! Allocate some arrays the first time through\n IF ( FIRST_TIME ) THEN\n FIRST_TIME = .FALSE.\n END IF\n\n IF ( LIPR ) THEN\n DO IPRV = 1, NIPRVAR ! foreach family\n IPRSPC = MAP_IPRVARtoSPC( IPRV ) \n DO ISPC = 1,NCGRID( IPRSPC ) ! foreach species in the family\n ICG = MAP_IPRtoCGRID( IPRSPC,ISPC ) ! CGRID species index \n\n#ifdef parallel\n CALL SUBST_DATA_COPY( AERO_COAG, TCOAG, ICG )\n CALL SUBST_DATA_COPY( AERO_COND, TCOND, ICG )\n CALL SUBST_DATA_COPY( AERO_NPF, TNPF, ICG )\n CALL SUBST_DATA_COPY( AERO_GROWTH, TGROW, ICG )\n#else\n TCOAG = AERO_COAG( PA_BEGCOL:PA_ENDCOL,\n & PA_BEGROW:PA_ENDROW,\n & PA_BEGLEV:PA_ENDLEV, ICG )\n TCOND = AERO_COND( PA_BEGCOL:PA_ENDCOL,\n & PA_BEGROW:PA_ENDROW,\n & PA_BEGLEV:PA_ENDLEV, ICG )\n TNPF = AERO_NPF ( PA_BEGCOL:PA_ENDCOL,\n & PA_BEGROW:PA_ENDROW,\n & PA_BEGLEV:PA_ENDLEV, ICG )\n TGROW = AERO_GROWTH( PA_BEGCOL:PA_ENDCOL,\n & PA_BEGROW:PA_ENDROW,\n & PA_BEGLEV:PA_ENDLEV, ICG )\n#endif\n\n ! Modify both the emiss process and the calling process\n IF ( MASK_IPR_PROC( IPRV,IPR_COAG ) )\n & DELC( :,:,:,IPRV ) = DELC( :,:,:,IPRV )\n & + SPCOEF( IPRSPC,ISPC ) * TCOAG\n IF ( MASK_IPR_PROC( IPRV,IPR_COND ) )\n & DELC( :,:,:,IPRV ) = DELC( :,:,:,IPRV )\n & + SPCOEF( IPRSPC,ISPC ) * TCOND\n IF ( MASK_IPR_PROC( IPRV,IPR_NPF ) )\n & DELC( :,:,:,IPRV ) = DELC( :,:,:,IPRV )\n & + SPCOEF( IPRSPC,ISPC ) * TNPF\n IF ( MASK_IPR_PROC( IPRV,IPR_GROW ) ) \n & DELC( :,:,:,IPRV )= DELC( :,:,:,IPRV )\n & + SPCOEF( IPRSPC,ISPC ) * TGROW\n END DO\n END DO\n END IF\n \n ! Convert scalars from trasnport process units to mixing ratio and\n ! concentration units.\n DO I = 1,N_CGRID_SPC\n DO L = 1,NLAYS\n DO R = 1,NROWS\n DO C = 1,NCOLS\n CNGRD(C,R,L,I) = CGRID(C,R,L,I)\n END DO\n END DO\n END DO\n END DO \n\n ! Save Changes in Budget Array\n CALL COUPLE_PA( IPR_COAG, AERO_COAG, JDATE, JTIME, .FALSE. ) \n IF (BUDGET_DIAG) CALL STORE_BUDGET( IPR_COAG, AERO_COAG, JDATE, JTIME, .TRUE. )\n \n CALL COUPLE_PA( IPR_COND, AERO_COND, JDATE, JTIME, .FALSE. ) \n IF (BUDGET_DIAG) CALL STORE_BUDGET( IPR_COND, AERO_COND, JDATE, JTIME, .TRUE. )\n \n CALL COUPLE_PA( IPR_NPF, AERO_NPF, JDATE, JTIME, .FALSE. ) \n IF (BUDGET_DIAG) CALL STORE_BUDGET( IPR_NPF, AERO_NPF, JDATE, JTIME, .TRUE. )\n \n CALL COUPLE_PA( IPR_GROW, AERO_GROWTH, JDATE, JTIME, .FALSE. ) \n IF (BUDGET_DIAG) CALL STORE_BUDGET( IPR_GROW, AERO_GROWTH, JDATE, JTIME, .TRUE. )\n\n CALL COUPLE_PA( IPR_GROW, CNGRD, JDATE, JTIME, .FALSE. ) \n IF (BUDGET_DIAG) CALL STORE_BUDGET( BDGSAVE_ID, CNGRD, JDATE, JTIME, .TRUE. )\n\n ! Save Concentration in CSAV Array\n DO I = 1,N_CGRID_SPC\n DO L = 1,NLAYS\n DO R = 1,NROWS\n DO C = 1,NCOLS\n CSAV(C,R,L,I) = CGRID(C,R,L,I)\n END DO\n END DO\n END DO\n END DO\n \n RETURN\n \n END SUBROUTINE PA_UPDATE_AERO\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE DECOUPLE_PA ( IPR_ID, CONC, JDATE, JTIME, LRHOJ )\nC-----------------------------------------------------------------------\nC Function:\nC Convert units and decouple concentration values in CGRID from transport\nC CONC is a copy of the current CGRID\n \nC Preconditions:\n \nC Subroutines and functions called:\nC INTERPX, M3EXIT\n \nC Revision History:\nC 6 May 16 J.Young: initial - part of pa_update.F file\nC-----------------------------------------------------------------------\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE CGRID_SPCS ! CGRID mechanism species\n USE UTILIO_DEFN\n USE VDIFF_MAP, ONLY : N_SPC_DIFF, DIFF_MASK_SRF, DIFF_MASK_NUM, DIFF_MAP,\n & DIFF_MASK_AERO\n use CENTRALIZED_IO_MODULE, only : interpolate_var\n\n IMPLICIT NONE \n\nC Include files:\n INCLUDE SUBST_FILES_ID ! file name parameters\n\nC Arguments:\n REAL, INTENT( INOUT ) :: CONC( :,:,:,: ) ! concentrations\n INTEGER, INTENT( IN ) :: JDATE ! current model date, coded YYYYDDD\n INTEGER, INTENT( IN ) :: JTIME ! current model time, coded HHMMSS\n INTEGER, INTENT( IN ) :: IPR_ID ! Process ID\n LOGICAL, INTENT( IN ) :: LRHOJ ! Should the advected density be used to decouple\n\nC Parameters:\n REAL, PARAMETER :: GPKG = 1.0E+03 ! g/kg\n REAL, PARAMETER :: MGPG = 1.0E+06 ! micro-g/g\n REAL, PARAMETER :: CONV = GPKG * MGPG\n\nC External Functions:\n\nC File Variables:\n REAL JACOBM( NCOLS,NROWS,NLAYS ) ! reciprocal midlayer Jacobian\n REAL RHOJ ( NCOLS,NROWS,NLAYS ) ! reciprocal Jacobian * air density\n\nC Local Variables:\n CHARACTER( 16 ) :: PNAME = 'DECOUPLE_PA'\n CHARACTER( 16 ) :: VNAME\n CHARACTER( 96 ) :: XMSG = ' '\n\n INTEGER V,C,R,L ! loop counters\n\nC-----------------------------------------------------------------------\n\nC retrieve transported RhoJ and Jacobian\n CALL INTERPOLATE_VAR ('JACOBM', JDATE, JTIME, JACOBM)\n\n IF ( LRHOJ ) THEN\n RHOJ( :,:,: ) = CONC( :,:,:,RHOJ_LOC )\n ELSE\n CALL INTERPOLATE_VAR ('DENSA_J', JDATE, JTIME, RHOJ)\n END IF\n\nC decouple for chemistry and diffusion\nC The CONC array is ordered like CGRID but only the DIFF species should\nC be modified. Use DIFF_MAP\n DO V = 1,N_CGRID_SPC\n IF ( CGRID_MASK_NUM( V ) .OR. CGRID_MASK_SRF( V ) ) THEN \n ! Convert to N m-3 and m2 m-3\n DO L = 1,NLAYS\n DO R = 1,NROWS\n DO C = 1,NCOLS\n CONC( C,R,L,V ) = \n & CONC( C,R,L,V ) / JACOBM( C,R,L )\n END DO\n END DO\n END DO\n ELSE IF ( CGRID_MASK_AERO( V ) ) THEN\n ! Convert to ug m-3\n DO L = 1,NLAYS\n DO R = 1,NROWS\n DO C = 1,NCOLS\n CONC( C,R,L,V ) = \n & CONC( C,R,L,V ) * CONV / JACOBM( C,R,L )\n END DO\n END DO\n END DO\n ELSE IF ( V .NE. RHOJ_LOC ) THEN\n ! Convert to ppmV\n DO L = 1,NLAYS\n DO R = 1,NROWS\n DO C = 1,NCOLS\n CONC( C,R,L,V ) = \n & CONC( C,R,L,V ) / RHOJ( C,R,L )\n END DO\n END DO\n END DO\n END IF\n END DO\n\n RETURN\n\n END SUBROUTINE DECOUPLE_PA\n \nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE COUPLE_PA ( IPR_ID, CONC, JDATE, JTIME, LRHOJ )\nC-----------------------------------------------------------------------\nC Function:\nC Convert units and couple concentration values in CGRID from transport\nC CONC is a copy of the current CGRID\n \nC Preconditions:\n \nC Subroutines and functions called:\nC INTERPX, M3EXIT\n \nC Revision History:\nC 6 May 16 J.Young: initial - part of pa_update.F file\nC-----------------------------------------------------------------------\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE CGRID_SPCS ! CGRID mechanism species\n USE UTILIO_DEFN\n USE VDIFF_MAP, ONLY : N_SPC_DIFF, DIFF_MASK_SRF, DIFF_MASK_NUM, DIFF_MAP,\n & DIFF_MASK_AERO\n use CENTRALIZED_IO_MODULE, only : interpolate_var\n\n IMPLICIT NONE \n\nC Include files:\n INCLUDE SUBST_FILES_ID ! file name parameters\n\nC Arguments:\n REAL, INTENT( INOUT ) :: CONC( :,:,:,: ) ! concentrations\n INTEGER, INTENT( IN ) :: JDATE ! current model date, coded YYYYDDD\n INTEGER, INTENT( IN ) :: JTIME ! current model time, coded HHMMSS\n INTEGER, INTENT( IN ) :: IPR_ID ! Process ID\n LOGICAL, INTENT( IN ) :: LRHOJ ! Should the advected density be used to decouple\n\nC Parameters:\n REAL, PARAMETER :: GPKG = 1.0E+03 ! g/kg\n REAL, PARAMETER :: MGPG = 1.0E+06 ! micro-g/g\n REAL, PARAMETER :: CONV = GPKG * MGPG\n\nC External Functions:\n\nC File Variables:\n REAL JACOBM( NCOLS,NROWS,NLAYS ) ! reciprocal midlayer Jacobian\n REAL RHOJ ( NCOLS,NROWS,NLAYS ) ! reciprocal Jacobian * air density\n\nC Local Variables:\n CHARACTER( 16 ) :: PNAME = 'COUPLE_PA'\n CHARACTER( 16 ) :: VNAME\n CHARACTER( 96 ) :: XMSG = ' '\n\n INTEGER V,C,R,L ! loop counters\n\nC-----------------------------------------------------------------------\n\nC retrieve transported RhoJ and Jacobian\n CALL INTERPOLATE_VAR ('JACOBM', JDATE, JTIME, JACOBM)\n\n IF ( LRHOJ ) THEN\n RHOJ( :,:,: ) = CONC( :,:,:,RHOJ_LOC )\n ELSE\n CALL INTERPOLATE_VAR ('DENSA_J', JDATE, JTIME, RHOJ)\n END IF\n\nC decouple for chemistry and diffusion\nC The CONC array is ordered like CGRID but only the DIFF species should\nC be modified. Use DIFF_MAP\n DO V = 1,N_CGRID_SPC\n IF ( CGRID_MASK_NUM( V ) .OR. CGRID_MASK_SRF( V ) ) THEN \n ! Convert to N m-3 and m2 m-3\n DO L = 1,NLAYS\n DO R = 1,NROWS\n DO C = 1,NCOLS\n CONC( C,R,L,V ) = \n & CONC( C,R,L,V ) * JACOBM( C,R,L )\n END DO\n END DO\n END DO\n ELSE IF ( CGRID_MASK_AERO( V ) ) THEN\n ! Convert to ug m-3\n DO L = 1,NLAYS\n DO R = 1,NROWS\n DO C = 1,NCOLS\n CONC( C,R,L,V ) = \n & CONC( C,R,L,V ) / CONV * JACOBM( C,R,L )\n END DO\n END DO\n END DO\n ELSE IF ( V .NE. RHOJ_LOC ) THEN\n ! Convert to ppmV\n DO L = 1,NLAYS\n DO R = 1,NROWS\n DO C = 1,NCOLS\n CONC( C,R,L,V ) = \n & CONC( C,R,L,V ) * RHOJ( C,R,L )\n END DO\n END DO\n END DO\n END IF\n END DO\n\n RETURN\n\n END SUBROUTINE COUPLE_PA\n \n END MODULE PA_UPDATE\n" }, { "path": "CCTM/src/procan/pa/pa_wrtpadefn.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE PA_WRTPADEFN\n\nC-----------------------------------------------------------------------\n \nC Function: To write the Models-3 Process Analysis Control PA_DEFN module \n \nC Preconditions: Requires mechanism to have been processed\n \nC Key Subroutines/Functions Called: None\n \nC Revision History:\nC Prototype created by Jerry Gipson, August, 1996\nC Modified May, 1997 by Jerry Gipson to be consistent with beta CTM\nC Modified Sept, 1997 by Jerry Gipson to be consistent with targeted CTM\nC Modified Jan, 2006 by J. Young I couldn't resist the temptation to F90-ize the output\nC Aug 2011 Jeff Young: Replaced I/O API include files with IOAPI's M3UTILIO\nC Sep 2018 C. Nolte, S. Roselle: replace M3UTILIO with UTILIO_DEFN\nC-----------------------------------------------------------------------\n USE UTILIO_DEFN\n USE PA_VARS, Only: TDATOUT\n USE PA_IPRVARS, Only: MAXIPROUT\n USE PA_PARSE\n USE PA_DEFN\n\n IMPLICIT NONE\n \nC Includes: None\n \nC Arguments: None\n \nC Parameters: None\n\nC External Functions: None\n\nC Local Variables:\n\n! CHARACTER( 1 ) :: DOT = '.' ! Dot character\n CHARACTER( 1 ) :: DIT = '=' ! Dit character\n CHARACTER( 72 ) :: DELIM ! Delimiter line output\n CHARACTER( 72 ) :: CEES ! Line of 'c's\n CHARACTER( 80 ) :: LINOUT ! Output line\n\n INTEGER IOUT ! Unit number for include file\n INTEGER N ! Loop index\n \n INTEGER MXCGRIDD ! Dimension for number of familys for PA\n INTEGER MXNIRRRXNSD ! Dimension parameter for MXNIRRRXNS\n INTEGER MXTEMPTRMSD ! Dimension parameter for MXTEMPTRMS\n INTEGER NIRRVARD ! Dimension of IRR output variables\n INTEGER N_IPR_SPCD ! Dimension statement for no. of PA species\n INTEGER NIPRVARD ! Dimension of PA output variables\n INTEGER NUMTEMPSD ! Dimension for number of temp IRRs\n INTEGER NUMOUTPOSD ! Dimension parameter for NUMOUTPOS\n INTEGER NUMOUTNEGD ! Dimension parameter for NUMOUTNEG\n INTEGER NUMOUTINDD ! Dimension parameter for NUMOUTIND\n\n CHARACTER( 7 ) :: BUF6 ( MAXIPROUT ) ! 6-Character buffer\n CHARACTER( 13 ) :: BUF12( MAXIPROUT ) ! 12-Character buffer\n CHARACTER( 21 ) :: BUF20( MAXIPROUT ) ! 20-Character buffer\n\n INTEGER :: MAXCNT = 99 ! Maximum number of continuation lines\n INTEGER NHI ! Highest index of loop\n INTEGER NIRR ! IRR loop index\n INTEGER NLO ! Lowest index of loop\n INTEGER NPA ! IPR species loop index\n INTEGER NS ! Loop index for sets of data statments\n INTEGER NSETS ! Number of sets of data statements to write\n\nC-----------------------------------------------------------------------\n\n DO N = 1, 72\n DELIM( N:N ) = DIT\n CEES( N:N ) = 'c'\n END DO \n DELIM( 1:1 ) = 'C'\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Open and Control Include file and write the header data\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IOUT = JUNIT( )\n OPEN( UNIT = IOUT, FILE = 'PA_DEFN_REPORT' )\n WRITE( IOUT, 94000 ) DELIM( 1:72 )\n LINOUT = ' MODULE PA_DEFN'\n WRITE( IOUT, 94000 ) LINOUT( 1:LEN_TRIM( LINOUT ) )\n WRITE( IOUT, 94000 ) LINOUT( 1:1 )\n LINOUT = 'C Contains: Control parameters for Process Analysis'\n WRITE( IOUT, 94000 ) LINOUT( 1:LEN_TRIM( LINOUT ) )\n WRITE( IOUT, 94000 ) LINOUT( 1:1 )\n LINOUT = 'C Dependent On: Mechanism Input file'\n WRITE( IOUT, 94000 ) LINOUT( 1:LEN_TRIM( LINOUT ) )\n WRITE( IOUT, 94000 ) LINOUT( 1:1 )\n LINOUT = 'C Created By: Process Analysis Control Program'\n WRITE( IOUT, 94000 ) LINOUT( 1:LEN_TRIM( LINOUT ) )\n LINOUT = 'C ' // TDATOUT\n WRITE( IOUT, 94000 ) LINOUT( 1:LEN_TRIM( LINOUT ) )\n LINOUT = ''\n WRITE( IOUT, 94000 ) LINOUT( 1:LEN_TRIM( LINOUT ) )\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Write the control parameters\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n WRITE( IOUT, 94000 ) CEES\n WRITE( IOUT, 94020 )\n WRITE( IOUT, 94040 ) \n WRITE( IOUT, 94000 ) CEES\n WRITE( IOUT, 94000 ) LINOUT( 1:LEN_TRIM( LINOUT ) )\n\nc..LIPR -- for integrated process rates\n IF ( N_IPR_SPC .GT. 0 ) THEN\n WRITE( IOUT, 94080 )\n ELSE\n WRITE( IOUT, 94100 )\n END IF\n\nc..LIRR -- for integrated reaction rates \n IF ( LFULLIRR .OR. LPARTIRR ) THEN\n WRITE( IOUT, 94140 )\n ELSE\n WRITE( IOUT, 94160 )\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Write messages about array dimensioning if needed\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( .NOT. LIRR ) THEN\n WRITE( IOUT, 94000 ) CEES\n WRITE( IOUT, 95020 )\n WRITE( IOUT, 94000 ) CEES\n WRITE( IOUT, 94000 )\n END IF\n\n IF ( .NOT. LIPR ) THEN\n WRITE( IOUT, 94000 ) CEES\n WRITE( IOUT, 95040 )\n WRITE( IOUT, 94000 ) CEES\n WRITE( IOUT, 94000 ) \n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Write output file variables \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n WRITE( IOUT, 94000 ) CEES\n WRITE( IOUT, 95120 ) \n WRITE( IOUT, 94000 ) CEES\n WRITE( IOUT, 95140 ) \n WRITE( IOUT, 94000 ) CEES\n NIPRVARD = MAX( NIPRVAR, 1 )\n NIRRVARD = MAX( NIRRVAR, 1 )\n WRITE( IOUT, 95160 ) NIPRVAR, NIPRVARD\n WRITE( IOUT, 95180 ) NIRRVAR, NIRRVARD\n WRITE( IOUT, 95200 )\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Write integrated process rate variables \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n WRITE( IOUT, 94000 ) CEES\n WRITE( IOUT, 95260 ) \n WRITE( IOUT, 94000 ) CEES\n WRITE( IOUT, 95280 ) \n WRITE( IOUT, 94000 ) CEES\n\n N_IPR_SPCD = MAX( N_IPR_SPC, 1 )\n MXCGRIDD = MAX( MXCGRID, 1 )\n\n WRITE( IOUT, 95300 ) NPRCS,\n & N_IPR_SPC, N_IPR_SPCD,\n & MXCGRID, MXCGRIDD\n WRITE( IOUT, 95320 )\n LINOUT = ''\n WRITE( IOUT, 94000 ) LINOUT( 1:LEN_TRIM( LINOUT ) )\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Write integrated reaction rate variables \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n WRITE( IOUT, 94000 ) CEES\n WRITE( IOUT, 95360 ) \n WRITE( IOUT, 94000 ) CEES\n WRITE( IOUT, 95380 ) \n WRITE( IOUT, 94000 ) CEES\n\n IF ( LFULLIRR ) THEN\n WRITE( IOUT, 95420 )\n ELSE\n WRITE( IOUT, 95440 )\n END IF\n\n IF ( LPARTIRR ) THEN\n WRITE( IOUT, 95480 )\n ELSE\n WRITE( IOUT, 95500 )\n END IF\n\n! IF ( .NOT. LPARTIRR ) THEN\n! NUMTEMPS = 0\n! NUMOUTPOS = 0\n! NUMOUTNEG = 0\n! NUMOUTIND = 0\n! MXNIRRRXNS = 0\n! MXTEMPTRMS = 0\n! END IF\n\n NUMTEMPSD = MAX( NUMTEMPS, 1 )\n NUMOUTPOSD = MAX( NUMOUTPOS, 1 )\n NUMOUTNEGD = MAX( NUMOUTNEG, 1 )\n NUMOUTINDD = MAX( NUMOUTIND, 1 )\n MXNIRRRXNSD = MAX( MXNIRRRXNS, 1 )\n MXTEMPTRMSD = MAX( MXTEMPTRMS, 1 )\n\n WRITE( IOUT, 95520 ) NUMTEMPS, NUMTEMPSD,\n & NUMOUTPOS, NUMOUTPOSD,\n & NUMOUTNEG, NUMOUTNEGD,\n & NUMOUTIND, NUMOUTINDD,\n & MXNIRRRXNS, MXNIRRRXNSD,\n & MXTEMPTRMS, MXTEMPTRMSD\n\n IF ( NIRRVAR .NE. 0 ) THEN\n WRITE( IOUT, 95542 )\n ELSE \n WRITE( IOUT, 95544 )\n END IF\n\n WRITE( IOUT, 95580 )\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Write monocode extensions (declarations and common block) and end\nc line and return\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( .NOT. LIPR .AND. .NOT. LIRR ) THEN\n WRITE( IOUT, 96110 )\n GO TO 999\n END IF \n\nC-----------------------------------------------------------------------\n LINOUT = ''\n WRITE( IOUT, 94000 ) LINOUT( 1:LEN_TRIM( LINOUT ) )\n LINOUT = 'C Initialize variable arrays via DATA stmts.'\n WRITE( IOUT, 94000 ) LINOUT( 1:LEN_TRIM( LINOUT ) )\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Write data statements for output file variables\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n WRITE( IOUT, 94000 ) CEES\n WRITE( IOUT, 96120 ) \n WRITE( IOUT, 94000 ) CEES\n WRITE( IOUT, 96200 ) \n \n IF ( NIPRVAR .GT. 0 ) THEN\n NSETS = ( ( NIPRVAR - 1 ) / ( 3 * MAXCNT ) ) + 1\n write( *,* ) 'n IPR var nsets 1: ', nsets\n DO NS = 1, NSETS\n NLO = ( NS - 1 ) * ( 3 * MAXCNT ) + 1\n NHI = MIN( ( NS * 3 * MAXCNT ), NIPRVAR )\n write( *,* ) 'n IPR var nlo nhi: ', nlo, nhi\n WRITE( IOUT, 96220 ) NLO, NHI\n DO NPA = NLO, NHI\n BUF20( NPA ) = ' \"' // IPRNAME( NPA ) // '\",'\n END DO\n BUF20( NHI )( 20:21 ) = ' /'\n call listout( NLO, NHI, 3, IOUT, BUF20 )\n END DO\n\n NSETS = ( ( NIPRVAR - 1 ) / MAXCNT ) + 1\n write( *,* ) 'n IPR var nsets 2: ', nsets\n DO NS = 1, NSETS\n NLO = ( NS - 1 ) * ( MAXCNT ) + 1\n NHI = MIN( ( NS * MAXCNT ), NIPRVAR ) \n write( *,* ) 'n IPR var nlo nhi: ', nlo, nhi\n WRITE( IOUT, 96240 ) NLO, NHI\n DO NPA = NLO, NHI\n LINOUT = ' & \"' // IPRDESC( NPA ) // '\",'\n IF ( NPA .EQ. NHI ) LINOUT( 71:71 ) = '/'\n WRITE( IOUT, 94000 ) LINOUT( 1:LEN_TRIM( LINOUT ) )\n END DO\n END DO\n END IF\n\n IF ( NIRRVAR .GT. 0 ) THEN\n NSETS = ( ( NIRRVAR - 1 ) / ( 3 * MAXCNT ) ) + 1\n write( *,* ) 'n IRR var nsets 1: ', nsets\n DO NS = 1, NSETS\n NLO = ( NS - 1 ) * ( 3 * MAXCNT ) + 1\n NHI = MIN( ( NS * 3 * MAXCNT ), NIRRVAR )\n write( *,* ) 'n IRR var nlo nhi: ', nlo, nhi\n WRITE( IOUT, 96260 ) NLO, NHI\n DO NIRR = NLO, NHI\n BUF20( NIRR ) = ' \"' // IRRNAME( NIRR ) // '\",'\n END DO\n BUF20( NHI )( 20:21 ) = ' /'\n call listout( NLO, NHI, 3, IOUT, BUF20 )\n END DO\n\n NSETS = ( ( NIRRVAR - 1 ) / MAXCNT ) + 1\n write( *,* ) 'n IRR var nsets 2: ', nsets\n DO NS = 1, NSETS\n NLO = ( NS - 1 ) * ( MAXCNT ) + 1\n NHI = MIN( ( NS * MAXCNT ), NIRRVAR ) \n write( *,* ) 'n IRR var nlo nhi: ', nlo, nhi\n WRITE( IOUT, 96280 ) NLO, NHI\n DO NIRR = NLO, NHI\n LINOUT = ' & \"' // IRRDESC( NIRR ) // '\",'\n IF ( NIRR .EQ. NHI ) LINOUT( 71:71 ) = '/'\n WRITE( IOUT, 94000 ) LINOUT( 1:LEN_TRIM( LINOUT ) )\n END DO\n END DO\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Write data statements for integrated Process rate variables\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( LIPR ) THEN\n WRITE( IOUT, 94000 ) ''\n WRITE( IOUT, 94000 ) CEES\n WRITE( IOUT, 96140 ) \n WRITE( IOUT, 94000 ) CEES\n\n NSETS = ( ( NPRCS - 1 ) / ( 3 * MAXCNT ) ) + 1\n DO NS = 1, NSETS\n NLO = ( NS - 1 ) * ( 3 * MAXCNT ) + 1\n NHI = MIN( ( NS * 3 * MAXCNT ), NPRCS ) \n WRITE( IOUT, 96290 ) NLO, NHI\n DO NPA = NLO, NHI\n BUF20( NPA ) = ' \"' // PROCNAME( NPA ) // '\",' \n END DO\n BUF20( NHI )( 20:21 ) = ' /'\n call listout( NLO, NHI, 3, IOUT, BUF20 )\n END DO\n END IF\n\n IF ( N_IPR_SPC .GT. 0 ) THEN\n NSETS = ( ( N_IPR_SPC - 1 ) / ( 10 * MAXCNT ) ) + 1\n DO NS = 1, NSETS\n NLO = ( NS - 1 ) * ( 10 * MAXCNT ) + 1\n NHI = MIN( ( NS * 10 * MAXCNT ), N_IPR_SPC ) \n WRITE( IOUT, 96300 ) NLO, NHI\n DO NPA = NLO, NHI\n WRITE( BUF6( NPA ), \"( I5, ',' )\" ) NCGRID( NPA )\n END DO\n BUF6( NHI )( 6:7 ) = ' /'\n call listout( NLO, NHI, 10, IOUT, BUF6 )\n END DO\n END IF\n\n IF ( N_IPR_SPC .GT. 0 ) THEN\n DO NPA = 1, NIPRVAR\n NSETS = ( ( NPRCS - 1 ) / ( 10 * MAXCNT ) ) + 1\n DO NS = 1, NSETS\n NLO = ( NS - 1 ) * ( 10 * MAXCNT ) + 1\n NHI = MIN( ( NS * 10 * MAXCNT ), NPRCS ) \n WRITE( IOUT, 96340 ) NPA, NLO, NHI\n DO N = NLO, NHI\n WRITE( BUF6( N ), 96080 ) MASK_IPR_PROC( NPA, N )\n END DO\n BUF6( NHI )( 6:7 ) = ' /'\n call listout( NLO, NHI, 10, IOUT, BUF6 )\n END DO \n END DO\n END IF \n\n IF ( N_IPR_SPC .GT. 0 ) THEN\n DO NPA = 1, N_IPR_SPC\n NSETS = ( ( NCGRID( NPA ) - 1 ) / ( 10 * MAXCNT ) ) + 1\n DO NS = 1, NSETS\n NLO = ( NS - 1 ) * ( 10 * MAXCNT ) + 1\n NHI = MIN( ( NS * 10 * MAXCNT ), NCGRID( NPA ) ) \n WRITE( IOUT, 96360 ) NPA, NLO, NHI\n DO N = NLO, NHI\n WRITE( BUF6( N ), 96080 ) MAP_IPRtoCGRID( NPA, N )\n END DO\n BUF6( NHI )( 6:7 ) = ' /'\n call listout( NLO, NHI, 10, IOUT, BUF6 )\n END DO \n END DO\n END IF\n\n IF ( N_IPR_SPC .GT. 0 ) THEN\n DO NPA = 1, N_IPR_SPC\n NSETS = ( ( NCGRID( NPA ) - 1 ) / ( 10 * MAXCNT ) ) + 1\n DO NS = 1, NSETS\n NLO = ( NS - 1 ) * ( 10 * MAXCNT ) + 1\n NHI = MIN( ( NS * 10 * MAXCNT ), NCGRID( NPA ) ) \n WRITE( IOUT, 96380 ) NPA, NLO, NHI\n DO N = NLO, NHI\n WRITE( BUF6( N ), 96080 ) MAP_IPRtoSAVE( NPA, N )\n END DO\n BUF6( NHI )( 6:7 ) = ' /'\n call listout( NLO, NHI, 10, IOUT, BUF6 )\n END DO \n END DO\n END IF\n\n IF ( LIPR ) THEN\n NSETS = ( ( NPRCS - 1 ) / ( 5 * MAXCNT ) ) + 1\n DO NS = 1, NSETS\n NLO = ( NS - 1 ) * ( 5 * MAXCNT ) + 1\n NHI = MIN( ( NS * 5 * MAXCNT ), NPRCS ) \n WRITE( IOUT, 96400 ) NLO, NHI\n DO N = NLO, NHI\n IF ( ANY( MASK_IPR_PROC( :,N )) ) THEN\n BUF12( N ) = ' .TRUE., '\n ELSE\n BUF12( N ) = ' .FALSE., '\n END IF\n END DO\n BUF12( NHI )( 12:13 ) = ' /' \n call listout( NLO, NHI, 5, IOUT, BUF12 )\n END DO\n END IF\n\n IF ( N_IPR_SPC .GT. 0 ) THEN\n DO NPA = 1, N_IPR_SPC\n NSETS = ( ( NCGRID( NPA ) - 1 ) / ( 5 * MAXCNT ) ) + 1\n DO NS = 1, NSETS\n NLO = ( NS - 1 ) * ( 5 * MAXCNT ) + 1\n NHI = MIN( ( NS * 5 * MAXCNT ), NCGRID( NPA ) ) \n WRITE( IOUT, 96420 ) NPA, NLO, NHI\n DO N = 1, NCGRID( NPA )\n WRITE( BUF12( N ), 96100 ) SPCOEF( NPA, N )\n END DO\n BUF12( NHI )( 12:13 ) = ' /'\n WRITE( IOUT, 96060 ) ( BUF12( N ), N = NLO, NHI )\n END DO \n END DO\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Write data statements for IRR variables\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( LPARTIRR ) THEN\n WRITE( IOUT, 94000 )\n WRITE( IOUT, 94000 ) CEES\n WRITE( IOUT, 96160 ) \n WRITE( IOUT, 94000 ) CEES\n\n IF ( NIRRVAR .GT. 0 ) THEN\n NSETS = ( ( NIRRVAR - 1 ) / ( 10 * MAXCNT ) ) + 1\n DO NS = 1, NSETS\n NLO = ( NS - 1 ) * ( 10 * MAXCNT ) + 1\n NHI = MIN( ( NS * 10 * MAXCNT ), NIRRVAR ) \n WRITE( IOUT, 96440 ) NLO, NHI\n DO NIRR = NLO, NHI\n WRITE( BUF6( NIRR ), 96080 ) NIRRRXNS( NIRR )\n END DO\n BUF6( NHI )( 6:7 ) = ' /'\n call listout( NLO, NHI, 10, IOUT, BUF6 )\n END DO\n END IF \n\n IF ( NUMTEMPS .GT. 0 ) THEN\n NSETS = ( ( NUMTEMPS - 1 ) / ( 10 * MAXCNT ) ) + 1\n DO NS = 1, NSETS\n NLO = ( NS - 1 ) * ( 10 * MAXCNT ) + 1\n NHI = MIN( ( NS * 10 * MAXCNT ), NUMTEMPS ) \n WRITE( IOUT, 96460 ) NLO, NHI\n DO NIRR = NLO, NHI\n WRITE( BUF6( NIRR ), 96080 ) TEMPTERMS( NIRR )\n END DO\n BUF6( NHI )( 6:7 ) = ' /'\n call listout( NLO, NHI, 10, IOUT, BUF6 )\n END DO\n END IF \n \n IF ( NUMOUTPOS .GT. 0 ) THEN\n NSETS = ( ( NUMOUTPOS - 1 ) / ( 10 * MAXCNT ) ) + 1\n DO NS = 1, NSETS\n NLO = ( NS - 1 ) * ( 10 * MAXCNT ) + 1\n NHI = MIN( ( NS * 10 * MAXCNT ), NUMOUTPOS ) \n WRITE( IOUT, 96480 ) NLO, NHI\n DO NIRR = NLO, NHI\n WRITE( BUF6( NIRR ), 96080 ) TEMPOUTPOS( NIRR )\n END DO\n BUF6( NHI )( 6:7 ) = ' /'\n call listout( NLO, NHI, 10, IOUT, BUF6 )\n END DO\n END IF \n \n IF ( NUMOUTNEG .GT. 0 ) THEN\n NSETS = ( ( NUMOUTNEG - 1 ) / ( 10 * MAXCNT ) ) + 1\n DO NS = 1, NSETS\n NLO = ( NS - 1 ) * ( 10 * MAXCNT ) + 1\n NHI = MIN( ( NS * 10 * MAXCNT ), NUMOUTNEG ) \n WRITE( IOUT, 96500 ) NLO, NHI\n DO NIRR = NLO, NHI\n WRITE( BUF6( NIRR ), 96080 ) TEMPOUTNEG( NIRR )\n END DO\n BUF6( NHI )( 6:7 ) = ' /'\n call listout( NLO, NHI, 10, IOUT, BUF6 )\n END DO\n END IF \n\n IF ( NUMOUTIND .GT. 0 ) THEN\n NSETS = ( ( NUMOUTIND - 1 ) / ( 10 * MAXCNT ) ) + 1\n DO NS = 1, NSETS\n NLO = ( NS - 1 ) * ( 10 * MAXCNT ) + 1\n NHI = MIN( ( NS * 10 * MAXCNT ), NUMOUTIND ) \n WRITE( IOUT, 96520 ) NLO, NHI\n DO NIRR = NLO, NHI\n WRITE( BUF6( NIRR ), 96080 ) TEMPOUTIND( NIRR )\n END DO\n BUF6( NHI )( 6:7 ) = ' /'\n call listout( NLO, NHI, 10, IOUT, BUF6 )\n END DO\n END IF \n\n IF ( NUMOUTPOS .GT. 0 ) THEN\n NSETS = ( ( NUMOUTPOS - 1 ) / ( 10 * MAXCNT ) ) + 1\n DO NS = 1, NSETS\n NLO = ( NS - 1 ) * ( 10 * MAXCNT ) + 1\n NHI = MIN( ( NS * 10 * MAXCNT ), NUMOUTPOS ) \n WRITE( IOUT, 96540 ) NLO, NHI\n DO NIRR = NLO, NHI\n WRITE( BUF6( NIRR ), 96080 ) INDXOUTPOS( NIRR )\n END DO\n BUF6( NHI )( 6:7 ) = ' /'\n call listout( NLO, NHI, 10, IOUT, BUF6 )\n END DO\n END IF \n\n IF ( NUMOUTNEG .GT. 0 ) THEN\n NSETS = ( ( NUMOUTNEG - 1 ) / ( 10 * MAXCNT ) ) + 1\n DO NS = 1, NSETS\n NLO = ( NS - 1 ) * ( 10 * MAXCNT ) + 1\n NHI = MIN( ( NS * 10 * MAXCNT ), NUMOUTNEG ) \n WRITE( IOUT, 96560 ) NLO, NHI\n DO NIRR = NLO, NHI\n WRITE( BUF6( NIRR ), 96080 ) INDXOUTNEG( NIRR )\n END DO\n BUF6( NHI )( 6:7 ) = ' /'\n call listout( NLO, NHI, 10, IOUT, BUF6 )\n END DO\n END IF \n\n IF ( NUMOUTIND .GT. 0 ) THEN\n NSETS = ( ( NUMOUTIND - 1 ) / ( 10 * MAXCNT ) ) + 1\n DO NS = 1, NSETS\n NLO = ( NS - 1 ) * ( 10 * MAXCNT ) + 1\n NHI = MIN( ( NS * 10 * MAXCNT ), NUMOUTIND ) \n WRITE( IOUT, 96580 ) NLO, NHI\n DO NIRR = NLO, NHI\n WRITE( BUF6( NIRR ), 96080 ) INDXOUTIND( NIRR )\n END DO\n BUF6( NHI )( 6:7 ) = ' /'\n call listout( NLO, NHI, 10, IOUT, BUF6 )\n END DO\n END IF\n\n IF ( NIRRVAR .GT. 0 ) THEN\n DO NIRR = 1, NIRRVAR\n IF ( NIRRRXNS( NIRR ) .GT. 0 ) THEN\n NSETS = ( ( NIRRRXNS( NIRR ) - 1 ) / ( 10 * MAXCNT ) ) + 1\n DO NS = 1, NSETS\n NLO = ( NS - 1 ) * ( 10 * MAXCNT ) + 1\n NHI = MIN( ( NS * 10 * MAXCNT ), NIRRRXNS( NIRR ) ) \n WRITE( IOUT, 96600 ) NIRR, NLO, NHI\n DO N = NLO, NHI\n WRITE( BUF6( N ), 96080 ) IRRRXN( NIRR, N )\n END DO\n BUF6( NHI )( 6:7 ) = ' /'\n call listout( NLO, NHI, 10, IOUT, BUF6 )\n END DO\n END IF \n END DO\n END IF\n\n IF ( NUMTEMPS .GT. 0 ) THEN\n DO NIRR= 1, NUMTEMPS\n IF ( TEMPTERMS( NIRR ) .GT. 0 ) THEN\n NSETS = ( ( TEMPTERMS( NIRR ) - 1 ) / ( 10 * MAXCNT ) ) + 1\n DO NS = 1, NSETS\n NLO = ( NS - 1 ) * ( 10 * MAXCNT ) + 1\n NHI = MIN( ( NS * 10 * MAXCNT ), TEMPTERMS( NIRR ) ) \n WRITE( IOUT, 96620 ) NIRR, NLO, NHI\n DO N = NLO, NHI\n WRITE( BUF6( N ), 96080 ) TEMPRXN( NIRR, N )\n END DO\n BUF6( NHI )( 6:7 ) = ' /'\n call listout( NLO, NHI, 10, IOUT, BUF6 )\n END DO\n END IF\n END DO\n END IF\n\n IF ( NUMOUTPOS .GT. 0 ) THEN\n NSETS = ( ( NUMOUTPOS - 1 ) / ( 5 * MAXCNT ) ) + 1\n DO NS = 1, NSETS\n NLO = ( NS - 1 ) * ( 5 * MAXCNT ) + 1\n NHI = MIN( ( NS * 5 * MAXCNT ), NUMOUTPOS ) \n WRITE( IOUT, 96640 ) NLO, NHI\n DO NIRR = NLO, NHI\n WRITE( BUF12( NIRR ), 96100 ) COEFOUTPOS( NIRR )\n END DO\n BUF12( NHI )( 12:13 ) = ' /'\n! WRITE( IOUT, 96060 ) ( BUF12( NIRR ), NIRR = NLO, NHI )\n call listout( NLO, NHI, 5, IOUT, BUF12 )\n END DO\n END IF\n\n IF ( NUMOUTNEG .GT. 0 ) THEN\n NSETS = ( ( NUMOUTNEG - 1 ) / ( 5 * MAXCNT ) ) + 1\n DO NS = 1, NSETS\n NLO = ( NS - 1 ) * ( 5 * MAXCNT ) + 1\n NHI = MIN( ( NS * 5 * MAXCNT ), NUMOUTNEG ) \n WRITE( IOUT, 96660 ) NLO, NHI\n DO NIRR = NLO, NHI\n WRITE( BUF12( NIRR ), 96100 ) COEFOUTNEG( NIRR )\n END DO\n BUF12( NHI )( 12:13 ) = ' /'\n! WRITE( IOUT, 96060 ) ( BUF12( NIRR ), NIRR = NLO, NHI )\n call listout( NLO, NHI, 5, IOUT, BUF12 )\n END DO\n END IF\n\n IF ( NUMOUTIND .GT. 0 ) THEN\n NSETS = ( ( NUMOUTIND - 1 ) / ( 5 * MAXCNT ) ) + 1\n DO NS = 1, NSETS\n NLO = ( NS - 1 ) * ( 5 * MAXCNT ) + 1\n NHI = MIN( ( NS * 5 * MAXCNT ), NUMOUTIND ) \n WRITE( IOUT, 96680 ) NLO, NHI\n DO NIRR = NLO, NHI\n WRITE( BUF12( NIRR ), 96100 ) COEFOUTIND( NIRR )\n END DO\n BUF12( NHI )( 12:13 ) = ' /'\n! WRITE( IOUT, 96060 ) ( BUF12( NIRR ), NIRR = NLO, NHI )\n call listout( NLO, NHI, 5, IOUT, BUF12 )\n END DO\n END IF\n\n IF ( NUMTEMPS .GT. 0 ) THEN\n DO NIRR= 1, NUMTEMPS\n IF ( TEMPTERMS( NIRR ) .GT. 0 ) THEN\n NSETS = ( ( TEMPTERMS( NIRR ) - 1 ) / ( 5 * MAXCNT ) ) + 1\n DO NS = 1, NSETS\n NLO = ( NS - 1 ) * ( 5 * MAXCNT ) + 1\n NHI = MIN( ( NS * 5 * MAXCNT ), TEMPTERMS( NIRR ) ) \n WRITE( IOUT, 96700 ) NIRR, NLO, NHI\n DO N = NLO, NHI\n WRITE( BUF12( N ), 96100 ) TEMPCOEF( NIRR, N )\n END DO\n BUF12( NHI )( 12:13 ) = ' /'\n! WRITE( IOUT, 96060 ) ( BUF12( N ), N = NLO, NHI )\n call listout( NLO, NHI, 5, IOUT, BUF12 )\n END DO\n END IF \n END DO\n END IF\n\n IF ( NIRRVAR .GT. 0 ) THEN\n DO NIRR = 1, NIRRVAR\n IF ( NIRRRXNS( NIRR ) .GT. 0 ) THEN\n NSETS = ( ( NIRRRXNS( NIRR ) - 1 ) / ( 5 * MAXCNT ) ) + 1\n DO NS = 1, NSETS\n NLO = ( NS - 1 ) * ( 5 * MAXCNT ) + 1\n NHI = MIN( ( NS * 5 * MAXCNT ), NIRRRXNS( NIRR ) ) \n WRITE( IOUT, 96720 ) NIRR, NLO, NHI\n DO N = NLO, NHI\n WRITE( BUF12( N ), 96100 ) IRRCOEF( NIRR, N )\n END DO\n BUF12( NHI )( 12:13 ) = ' /'\n! WRITE( IOUT, 96060 ) ( BUF12( N ), N = NLO, NHI )\n call listout( NLO, NHI, 5, IOUT, BUF12 )\n END DO\n END IF \n END DO\n END IF\n END IF\n\n999 CONTINUE\n\n LINOUT = ''\n WRITE( IOUT, 94000 ) LINOUT( 1:LEN_TRIM( LINOUT ) )\n LINOUT = ' END MODULE PA_DEFN'\n WRITE( IOUT, 94000 ) LINOUT( 1:LEN_TRIM( LINOUT ) )\n CLOSE( IOUT )\n\n RETURN \n \nC----------------------- FORMAT Statements -----------------------------\n\n94000 FORMAT( A ) \n94020 FORMAT( \n & 'c The following variables are used to control calls to', \n & ' the Integrated' /\n & 'c Process Rate and Integrated Reaction Rate routines:' )\n94040 FORMAT( \n & 'c LIPR = Flag for calculating Integrated Process Rates' /\n & 'c LIRR = Flag for calculating Integrated Reaction Rates' )\n94080 FORMAT( 6X, 'LOGICAL, PARAMETER :: LIPR = .TRUE.' / )\n94100 FORMAT( 6X, 'LOGICAL, PARAMETER :: LIPR = .FALSE.' / )\n94140 FORMAT( 6X, 'LOGICAL, PARAMETER :: LIRR = .TRUE.' / )\n94160 FORMAT( 6X, 'LOGICAL, PARAMETER :: LIRR = .FALSE.' / )\n\nC----------------------- FORMAT Statements -----------------------------\n\n95020 FORMAT( \n & 'c Integrated Reaction Rates are not being computed. All',\n & ' associated'/\n & 'c arrays will be set to the smallest possible dimension.' )\n\n95040 FORMAT( \n & 'c Integrated Process Rates are not being computed. All',\n & ' associated'/\n & 'c arrays will be set to the smallest possible dimension.' )\n\n95120 FORMAT( \n &'c The following variables are used in the output file ', \n & 'descriptions' )\n95140 FORMAT( \n &'c NIPRVAR = Number of IPR output variables'/\n &'c NIRRVAR = Number of IRR output variables'/\n &'c NIPRVARD = Dimension for IPR output variables'/\n &'c NIRRVARD = Dimension for IRR output variables'/\n &'c IPRNAME = Name of IPR output variable'/\n &'c IRRNAME = Name of IRR output variable'/\n &'c IPRDESC = Extended name of IPR output variable'/\n &'c IRRDESC = Extended name of IRR output variable' )\n\n95160 FORMAT( /\n & 6X, 'INTEGER, PARAMETER :: NIPRVAR =', I4, ',',\n & 2X, 'NIPRVARD =', I4 )\n\n95180 FORMAT( /\n & 6X, 'INTEGER, PARAMETER :: NIRRVAR =', I4, ',',\n & 2X, 'NIRRVARD =', I4 / )\n\n95200 FORMAT( \n & 6X, 'CHARACTER( 16 ) :: IPRNAME( NIPRVARD )' /\n & 6X, 'CHARACTER( 60 ) :: IPRDESC( NIPRVARD )' /\n & 6X, 'CHARACTER( 16 ) :: IRRNAME( NIRRVARD )' /\n & 6X, 'CHARACTER( 60 ) :: IRRDESC( NIRRVARD )' / )\n\n95260 FORMAT( \n & 'c The following variables are used in the integrated process', \n & ' rate '/'c computations.' )\n\n95280 FORMAT( \n & 'c NPRCS = No. of science processes that can be monitored' /\n & 'c N_IPR_SPC = Number of families for IPR' /\n & 'c MXCGRID = Max number of CTM species in an IPR family' /\n & 'c N_IPR_SPCD = Dimension for number of families for IPR' /\n & 'c MXCGRIDD = Dimension for MXCGRID' /\n & 'c NCGRID = Array of no. of CTM species in an IPR family' /\n & 'c IPROUT = Array of IPR output variable indices' /\n & 'c IPR2GRD = Array of CTM species indices for IPR families' /\n & 'c IPR2SAV = Array of saved species indices for IPR families' /\n & 'c SV2GRD = Array of CTM indicies for saved concs' /\n & 'c SPCOEF = Array of coefficients for IPR familys' ) \n\n95300 FORMAT( /\n & 6X, 'INTEGER, PARAMETER :: NPRCS =', I4 /\n & 6X, 'INTEGER, PARAMETER :: N_IPR_SPC =', I4, ',',\n & 2X, 'N_IPR_SPCD =', I4 /\n & 6X, 'INTEGER, PARAMETER :: MXCGRID =', I4, ',',\n & 2X, 'MXCGRIDD =', I4 / )\n\n95320 FORMAT( \n & 6X, 'CHARACTER( 16 ) :: PROCNAME( NPRCS )' /\n & 6X, 'LOGICAL LPROCOUT( NPRCS )' //\n & 6X, 'INTEGER NCGRID ( N_IPR_SPCD )' /\n & 6X, 'INTEGER IPROUT ( N_IPR_SPCD,NPRCS )' /\n & 6X, 'INTEGER IPR2GRD( N_IPR_SPCD,MXCGRIDD )' /\n & 6X, 'INTEGER IPR2SAV( N_IPR_SPCD,MXCGRIDD )' //\n & 6X, 'REAL SPCOEF ( N_IPR_SPCD,MXCGRIDD )' )\n\n95360 FORMAT( \n & 'c The following variables are used in the integrated reaction', \n & ' rate' / 'c computations.' )\n\n95380 FORMAT( \n & 'c LFULLIRR = Flag for computing IRRs for every reaction' /\n & 'c LPARTIRR = Flag for computing IRRs for selected', \n & ' reactions' /\n & 'c NUMTEMPS = No. of temporary intermediate IRRs to', \n & ' compute' /\n & 'c NUMOUTPOS = No. of temp. IRR terms to add iff the', \n & ' IRR > 0' /\n & 'c NUMOUTNEG = No. of temp. IRR terms to add iff the', \n & ' IRR < 0' /\n & 'c NUMOUTIND = No. of temp. IRR terms to add regardless', \n & ' of sign' /\n & 'c MXNIRRRXNS = Max no. of reaction terms in an output IRR' /\n & 'c MXTEMPTRMS = Max no. of reaction terms in a temp. IRR' /\n & 'c NUMTEMPSD = Dimension for number of temp IRRs' /\n & 'c NUMOUTPOSD = Dimension parameter for NUMOUTPOS' /\n & 'c NUMOUTNEGD = Dimension parameter for NUMOUTNEG' /\n & 'c NUMOUTINDD = Dimension parameter for NUMOUTIND' /\n & 'c MXNIRRRXNSD = Dimension parameter for MXNIRRRXNS' /\n & 'c MXTEMPTRMSD = Dimension parameter for MXTEMPTRMS' /\n & 'c NIRRRXNS = Vector of no. of reaction terms in an', \n & ' output IRR' /\n & 'c TEMPTERMS = Vector of no. of terms in a temporary IRR' /\n & 'c TEMPOUTPOS = Vector of no. of IRR terms to add if', \n & ' IRR > 0' /\n & 'c TEMPOUTNEG = Vector of no. of IRR terms to add if', \n & ' IRR < 0' /\n & 'c TEMPOUTIND = Vector of no. of IRR terms to add', \n & ' regardless of sign' /\n & 'c INDXOUTPOS = Vector of indices pointing to IRR output', \n & ' variable' /\n & 'c INDXOUTNEG = Vector of indices pointing to IRR output', \n & ' variable' /\n & 'c INDXOUTIND = Vector of indices pointing to IRR output', \n & ' variable' /\n & 'c COEFOUTPOS = Vector of temp IRR coefficients' /\n & 'c COEFOUTNEG = Vector of temp IRR coefficients' /\n & 'c COEFOUTIND = Vector of temp IRR coefficients' /\n & 'c TEMPRXN = Array of reaction nos. for a temp. IRR' /\n & 'c IRRRXN = Array of reaction nos. for an output IRR' /\n & 'c TEMPCOEF = Array of reaction coefficients for a', \n & ' temp IRR' /\n & 'c IRRCOEF = Array of reaction coefficients for an', \n & ' output IRR' /\n & 'c IRRSTEP = Array of output IRRs for one time step' /\n & 'c IRRBLK = Array of output IRRs for a block of cells' /\n & 'c IRROUT = Array of IRRs to output' ) \n\n95420 FORMAT( / 6X, 'LOGICAL, PARAMETER :: LFULLIRR = .TRUE.' )\n95440 FORMAT( / 6X, 'LOGICAL, PARAMETER :: LFULLIRR = .FALSE.' ) \n95480 FORMAT( / 6X, 'LOGICAL, PARAMETER :: LPARTIRR = .TRUE.' )\n95500 FORMAT( / 6X, 'LOGICAL, PARAMETER :: LPARTIRR = .FALSE.' ) \n\n95520 FORMAT( /\n & 6X, 'INTEGER, PARAMETER :: NUMTEMPS =', I4, ',',\n & 2X, 'NUMTEMPSD =', I4 /\n & 6X, 'INTEGER, PARAMETER :: NUMOUTPOS =', I4, ',',\n & 2X, 'NUMOUTPOSD =', I4 /\n & 6X, 'INTEGER, PARAMETER :: NUMOUTNEG =', I4, ',',\n & 2X, 'NUMOUTNEGD =', I4 /\n & 6X, 'INTEGER, PARAMETER :: NUMOUTIND =', I4, ',',\n & 2X, 'NUMOUTINDD =', I4 /\n & 6X, 'INTEGER, PARAMETER :: MXNIRRRXNS =', I4, ',',\n & 2X, 'MXNIRRRXNSD =', I4 /\n & 6X, 'INTEGER, PARAMETER :: MXTEMPTRMS =', I4, ',',\n & 2X, 'MXTEMPTRMSD =', I4 )\n\n95542 FORMAT( /\n & 6X, 'INTEGER, PARAMETER :: BLKSIZED = BLKSIZE' )\n\n95544 FORMAT( /\n & 6X, 'INTEGER, PARAMETER :: BLKSIZED = 1' )\n\n95580 FORMAT( /\n & 6X, 'INTEGER NIRRRXNS ( NIRRVARD )' /\n & 6X, 'INTEGER TEMPTERMS ( NUMTEMPSD )' /\n & 6X, 'INTEGER TEMPOUTPOS( NUMOUTPOSD )' /\n & 6X, 'INTEGER INDXOUTPOS( NUMOUTPOSD )' /\n & 6X, 'INTEGER TEMPOUTNEG( NUMOUTNEGD )' /\n & 6X, 'INTEGER INDXOUTNEG( NUMOUTNEGD )' /\n & 6X, 'INTEGER TEMPOUTIND( NUMOUTINDD )' /\n & 6X, 'INTEGER INDXOUTIND( NUMOUTINDD )' /\n & 6X, 'INTEGER IRRRXN ( NIRRVARD,MXNIRRRXNSD )' /\n & 6X, 'INTEGER TEMPRXN ( NUMTEMPSD,MXTEMPTRMSD )' //\n & 6X, 'REAL COEFOUTPOS( NUMOUTPOSD )' /\n & 6X, 'REAL COEFOUTNEG( NUMOUTNEGD )' /\n & 6X, 'REAL COEFOUTIND( NUMOUTINDD )' /\n & 6X, 'REAL TEMPCOEF ( NUMTEMPSD,MXTEMPTRMSD )' /\n & 6X, 'REAL IRRCOEF ( NIRRVARD,MXNIRRRXNSD )' /\n & 6X, 'REAL IRRSTEP ( BLKSIZED,NIRRVARD )' /\n & 6X, 'REAL IRRBLK ( BLKSIZED,NIRRVARD )' )\n \nC----------------------- FORMAT Statements -----------------------------\n\n96060 FORMAT( 5X, '& ', 5A13 )\n96080 FORMAT( I5, ',' )\n96100 FORMAT( F11.4, ',' )\n96110 FORMAT( 'c Neither IPR nor IRR calculations are being done.' /\n & 'c Additional data are not required' )\n96120 FORMAT( 'c Output file descriptor data' )\n96140 FORMAT( 'c IPR data' )\n96160 FORMAT( 'c IRR data' )\n96200 FORMAT( /6X, 'INTEGER TERM' )\n96220 FORMAT( /6X, 'DATA ( IPRNAME( TERM ), TERM =', I4, ', ', I4, ' ) /' )\n96240 FORMAT( /6X, 'DATA ( IPRDESC( TERM ), TERM =', I4, ', ', I4, ' ) /' )\n96260 FORMAT( /6X, 'DATA ( IRRNAME( TERM ), TERM =', I4, ', ', I4, ' ) /' )\n96280 FORMAT( /6X, 'DATA ( IRRDESC( TERM ), TERM =', I4, ', ', I4, ' ) /' )\n96290 FORMAT( /6X, 'DATA ( PROCNAME( TERM ), TERM =', I4, ', ', I4, ' ) /' )\n96300 FORMAT( /6X, 'DATA ( NCGRID( TERM ), TERM =', I4, ', ', I4, ' ) /' )\n96320 FORMAT( /6X, 'DATA ( SV2GRD( TERM ), TERM =', I4, ', ', I4, ' ) /' )\n96340 FORMAT( /6X, 'DATA ( IPROUT( ', I3, ', TERM ), TERM =', I4, ', ', I4, ' ) /' )\n96360 FORMAT( /6X, 'DATA ( IPR2GRD( ', I3, ', TERM ), TERM =', I4, ', ', I4, ' ) /' )\n96380 FORMAT( /6X, 'DATA ( IPR2SAV( ', I3, ', TERM ), TERM =', I4, ', ', I4, ' ) /' )\n96400 FORMAT( /6X, 'DATA ( LPROCOUT( TERM ), TERM =', I4, ', ', I4, ' ) /' )\n96420 FORMAT( /6X, 'DATA ( SPCOEF( ', I3, ', TERM ), TERM =', I4, ', ', I4, ' ) /' )\n96440 FORMAT( /6X, 'DATA ( NIRRRXNS( TERM ), TERM =', I4, ', ', I4, ' ) /' )\n96460 FORMAT( /6X, 'DATA ( TEMPTERMS( TERM ), TERM =', I4, ', ', I4, ' ) /' )\n96480 FORMAT( /6X, 'DATA ( TEMPOUTPOS( TERM ), TERM =', I4, ', ', I4, ' ) /' )\n96500 FORMAT( /6X, 'DATA ( TEMPOUTNEG( TERM ), TERM =', I4, ', ', I4, ' ) /' )\n96520 FORMAT( /6X, 'DATA ( TEMPOUTIND( TERM ), TERM =', I4, ', ', I4, ' ) /' )\n96540 FORMAT( /6X, 'DATA ( INDXOUTPOS( TERM ), TERM =', I4, ', ', I4, ' ) /' )\n96560 FORMAT( /6X, 'DATA ( INDXOUTNEG( TERM ), TERM =', I4, ', ', I4, ' ) /' )\n96580 FORMAT( /6X, 'DATA ( INDXOUTIND( TERM ), TERM =', I4, ', ', I4, ' ) /' )\n96600 FORMAT( /6X, 'DATA ( IRRRXN( ', I3, ', TERM ), TERM =', I4, ', ', I4, ' ) /' )\n96620 FORMAT( /6X, 'DATA ( TEMPRXN( ', I3, ', TERM ), TERM =', I4, ', ', I4, ' ) /' )\n96640 FORMAT( /6X, 'DATA ( COEFOUTPOS( TERM ), TERM =', I4, ', ', I4, ' ) /' )\n96660 FORMAT( /6X, 'DATA ( COEFOUTNEG( TERM ), TERM =', I4, ', ', I4, ' ) /' )\n96680 FORMAT( /6X, 'DATA ( COEFOUTIND( TERM ), TERM =', I4, ', ', I4, ' ) /' )\n96700 FORMAT( /6X, 'DATA ( TEMPCOEF( ', I3, ', TERM ), TERM =', I4, ', ', I4, ' ) /' )\n96720 FORMAT( /6X, 'DATA ( IRRCOEF( ', I3, ', TERM ), TERM =', I4, ', ', I4, ' ) /' )\n\n contains\nC=======================================================================\n subroutine listout ( lo, hi, n_form, iout, buf )\n\nC format a list and write to iout\nC n_form can be 3, 5, or 10\n\n integer, intent (in ) :: lo, hi, n_form, iout\n character( * ), intent( in ) :: buf( * )\n\n character( 80 ) :: linout\n character( 19 ) :: fstr\n integer i, j, k, n, rng, last\n\n select case ( n_form )\n case( 3 ) ! associated w/ buf20\n fstr = \"( 5x, '& ', 3a21 )\"\n case( 5 ) ! associated w/ buf12\n fstr = \"( 5x, '& ', 5a13 )\"\n case( 10 ) ! associated w/ buf6\n fstr = \"( 5x, '& ', 10a7 )\"\n case default\n write( *,* ) '*** INVALID format ', n_form\n stop\n end select\n\n rng = hi - lo + 1\n last = mod( rng, n_form )\n i = lo\n do k = 1, rng / n_form\n j = i + n_form - 1\n write( linout, fstr ) ( buf( n ), n = i, j )\n write( iout, '( a )' ) linout( 1:len_trim( linout ) )\n i = j + 1\n end do\n if ( last .gt. 0 ) then\n j = i + last - 1\n write( linout, fstr ) ( buf( n ), n = i, j )\n write( iout, '( a )' ) linout( 1:len_trim( linout ) )\n end if\n\n\n end subroutine listout\n\n END SUBROUTINE PA_WRTPADEFN\n" }, { "path": "CCTM/src/pv_o3/pvo3.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE PVO3( CGRID, JDATE, JTIME )\n\nC-----------------------------------------------------------------------\nC Function: Scales O3 in free-troposphere to potential vorticity \n \nC Revision History:\nC Prototype, Rohit Mathur, Nov. 2007\nC Scaling only at top layer; scaling factor based on 2006 IONS O3 and \nC PV estimated from NAM at ~100mb, Rohit Mathur, Nov. 2008\nC Incorporation in CMAQv4.7.1, Rohit Mathur, Jan.2010\nC 12 Mar 2019 D. Wong: Implemented centralized I/O approach and removed all MY_N clauses\nC 1 Apr 2019 D. Wong: Remove call to SUBHFILE\nC March 2023 R.Mathur: removed sigma-coordinate dependence in determing layers\nC above which PV-scaling is applied\nC-----------------------------------------------------------------------\n\n USE CGRID_SPCS ! CGRID mechanism species\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE UTILIO_DEFN\n USE CENTRALIZED_IO_MODULE, only : interpolate_var, lat\n\n#ifdef isam\n USE SA_DEFN, ONLY: ISAM, N_SPCTAG, NTAG_SA, ITAG, OTHRTAG,\n & ISAM_PVO3_MAP, ISAM_SPEC, L_OZONE,\n & ISAMRGN_NUM, ISAMRGN_MAP, NSPC_SA\n USE desid_param_module, ONLY: DESID_REG_FAC, DESID_N_REG\n#endif\n\n#ifdef sens\n USE DDM3D_DEFN, ONLY : NP, NPMAX, SENGRID, IPT\n#endif\n\n IMPLICIT NONE\n\nC..Includes:\n INCLUDE SUBST_FILES_ID ! CMAQ files\n INCLUDE SUBST_CONST ! CMAQ constants\n\nC..Parameters:\n REAL, PARAMETER :: PSFC = 100000.0 ! generic surface pres. [Pa]\n\nC To scale O3 with PV at specified altitudes, set highest pressure level to exclude\nC PV scaling:\n REAL, PARAMETER :: PPVT = 11000.0 ! [Pa] (~14-16km or X3 > 0.93)\n\n REAL, PARAMETER :: AX = 203.53\n REAL, PARAMETER :: BX = -13.622\n REAL, PARAMETER :: CX = 5.4157E-1\n REAL, PARAMETER :: DX = -9.4264E-3\n REAL, PARAMETER :: EX = 7.299E-5\n REAL, PARAMETER :: FX = -2.0214E-7\n\n REAL, PARAMETER :: AY = -2.1902E-2\n REAL, PARAMETER :: BY = 4.5507E-4\n REAL, PARAMETER :: CY = -2.4557E-6\n\nC..Arguments:\n REAL, POINTER :: CGRID( :,:,:,: ) ! Species concentrations\n INTEGER, INTENT( IN ) :: JDATE ! Current date (YYYYDDD)\n INTEGER, INTENT( IN ) :: JTIME ! Current time (HHMMSS)\n\nC..Saved Local Variables:\n CHARACTER( 16 ), SAVE :: PNAME = 'PVO3' ! Program name\n LOGICAL, SAVE :: LFIRST = .TRUE. ! Flag for first call to this subroutine\n INTEGER, SAVE :: VO3 ! ozone\n INTEGER, SAVE :: VO3T = 0 ! tracer\n INTEGER, SAVE :: KPV\n\nC..Scratch Local Variables:\n CHARACTER( 132 ) :: MSG ! Message text\n CHARACTER( 16 ) :: VNAME ! Name of I/O API data variable\n CHARACTER( 120 ) :: XMSG = ' ' ! Exit status message\n\n INTEGER C, L, R ! Loop indices\n INTEGER ALLOCSTAT\n\n INTEGER YEAR\n INTEGER JDAY\n REAL CSTAR ! dynamic PV coefficiency\n REAL FC, GC ! cstar = fc * gc\n REAL LATABS ! absolute latitude\n REAL MFRC ! month fraction\n REAL PLAY ! pressure for layer applied\n\n REAL, ALLOCATABLE, SAVE :: CSTARZ( :,: ) ! cstar at 58hPa estimated by polynomial fit\n REAL, ALLOCATABLE, SAVE :: CXX( :,: ) ! intermediate quadratic (< 0 for any lat.)\n REAL :: PV( NCOLS,NROWS,NLAYS ) ! potential vorticity\n REAL PRES( NCOLS,NROWS,NLAYS ) ! Air pressure [ Pa ]\n\n#ifdef isam\n INTEGER, SAVE :: S_O3 = 0\n REAL :: PVO3_STORE = 1.0\n INTEGER :: RGN = 0\n#endif \n\nC First time: set up parameters\n IF ( LFIRST ) THEN\n LFIRST = .FALSE.\n\n VO3 = INDEX1( 'O3', N_GC_SPC, GC_SPC )\n WRITE( LOGDEV,92000 ) N_GC_SPC, VO3\n\nC Get number of species, and starting indices for CGRID array.\n VO3T = INDEX1( 'O3PV', N_TR_SPC, TR_SPC )\n IF ( VO3T .GT. 0 ) then\n XMSG = ' Option used: a tracer Namelist file with species O3PV'\n CALL M3MESG ( XMSG )\n VO3T = TR_STRT - 1 + VO3T\n WRITE( LOGDEV,92001 ) TR_STRT-1, N_TR_SPC, VO3T\n END IF\n\nC Scale top 3 layers O3 to PV\n! KPV = NLAYS - 2\nC Scale only top layer O3 to PV\n! KPV = NLAYS\nC WRITE( LOGDEV,92002 ) KPV, X3FACE_GD( KPV )\n WRITE( LOGDEV,92003 ) PPVT\n\n ALLOCATE ( CSTARZ( NCOLS,NROWS ),\n & CXX( NCOLS,NROWS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating CSTARZ, or CXX'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n#ifdef isam\n IF ( L_OZONE ) S_O3 = INDEX1( 'O3', NSPC_SA, ISAM_SPEC(:,OTHRTAG) )\n#endif\n\n END IF ! First time\n\nC.. Get PV \n call interpolate_var ('PV', jdate, jtime, pv)\n\nC.. Get PRES\n call interpolate_var ('PRES', jdate, jtime, PRES)\n\nC.. Calculate month fraction\n YEAR = INT( FLOAT( JDATE ) / 1000.0 )\n JDAY = JDATE - YEAR * 1000\n\n IF ( MOD( YEAR, 4 ) .EQ. 0 ) THEN\n MFRC = FLOAT( JDAY ) / 366.0\n ELSE\n MFRC = FLOAT( JDAY ) / 365.0\n END IF\n\n GC = 1.0 + 0.22 * SIN( PI180 * 12.0 * ( MFRC * 30.0 + 2.0 ) )\n\nC.. Scale O3 in free-trop based on PV\nC O3 in ppb = 30*PV or O3 in ppm = .03*PV\nC This constant of proportionality is determined based on examining the relationship\nC between NAM PV and average observed O3 at the 2006 IONS sites for the topmost layer\nC of a 22-layer configuration\n\n DO R = 1, NROWS\n DO C = 1, NCOLS\n LATABS = ABS( LAT( C,R ) )\n CSTARZ( C,R ) = AX\n & + LATABS * ( BX\n & + LATABS * ( CX\n & + LATABS * ( DX\n & + LATABS * ( EX\n & + LATABS * ( FX ) ) ) ) )\n\n CXX( C,R ) = AY\n & + LATABS * ( BY\n & + LATABS * ( CY ) )\n END DO\n END DO\n\nC DO L = KPV, NLAYS\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n\n IF (PRES(C,R,L).LT.PPVT ) THEN ! scale O3 above PPVT\n\n FC = CSTARZ( C,R ) + ( PRES( C,R,L ) - 5856.0 ) * CXX( C,R )\n\n CSTAR = MAX ( 30.0, ABS( FC * GC ) )\n\n CGRID( C,R,L,VO3 ) = 0.001 * CSTAR * ABS( PV( C,R,L ) )\n#ifdef isam\n IF ( L_OZONE ) THEN\n ISAM( C,R,L,S_O3,: ) = 1E-30\n PVO3_STORE = 1.0\n IF ( SUM( ISAM_PVO3_MAP(:) ) .EQ. 0 ) THEN ! no PV tracking specified, toss it into OTHER\n ISAM( C,R,L,S_O3,OTHRTAG ) = CGRID( C,R,L,VO3 )\n ELSE IF ( SUM( ISAM_PVO3_MAP(:) ) .GE. 1 ) THEN ! at least 1 PVO3 tag\n DO ITAG = 1, NTAG_SA-3\n IF( ISAM_PVO3_MAP(ITAG) .EQ. 1 ) THEN ! PV for this tag\n IF ( ISAMRGN_NUM( ITAG ) .LT. 1 ) THEN ! full domain\n ISAM( C,R,L,S_O3,ITAG ) = CGRID( C,R,L,VO3 )\n PVO3_STORE = 0.0\n ELSE ! split into regions and other\n DO RGN = 1, ISAMRGN_NUM( ITAG )\n ISAM( C,R,L,S_O3,ITAG ) = ISAM( C,R,L,S_O3,ITAG )\n & + CGRID( C,R,L,VO3 )\n & * DESID_REG_FAC(C,R,ISAMRGN_MAP(ITAG,RGN))\n PVO3_STORE = PVO3_STORE\n & - DESID_REG_FAC(C,R,ISAMRGN_MAP(ITAG,RGN))\n END DO\n END IF \n END IF\n END DO\n IF ( PVO3_STORE .LT. 1E-6 .AND. PVO3_STORE .GT. 0.0 ) PVO3_STORE = 0.0 ! round off precision error\n IF ( PVO3_STORE .GE. 0.0 ) THEN ! put the rest into OTHER tag\n ISAM( C,R,L,S_O3,OTHRTAG ) = PVO3_STORE * CGRID( C,R,L,VO3 )\n ELSE\n XMSG = ' ERROR: Possible overspecification of ' //\n & 'ISAM tags for PV'\n CALL M3EXIT ( 'ISAM_PV', JDATE, JTIME, XMSG, XSTAT1 )\n ENDIF\n ELSE\n XMSG = ' ERROR in ISAM PV definitions '\n CALL M3EXIT ( 'ISAM_PV', JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END IF\n#endif\n\n#ifdef sens\n DO NP = 1, NPMAX\n IF ( IPT( NP ) .EQ. 6 ) THEN\n SENGRID( C, R, L, NP, VO3 ) = CGRID( C, R, L, VO3 )\n END IF\n END DO\n#endif\n\n IF ( VO3T .GT. 0 ) THEN\n CGRID( C,R,L,VO3T ) = CGRID( C,R,L,VO3 )\n END IF\n\n END IF ! check PPVT\n\n END DO\n END DO\n END DO\n \n RETURN\n\n92000 FORMAT( / 10X, 'In Subroutine PVO3: setting index for O3 '\n & / 10X, 'Number of gas phase species: ', I4\n & / 10X, 'Species index for O3: ', I4 )\n92001 FORMAT( / 10X, 'In Subroutine PVO3: setting index for O3 '\n & / 10X, 'CGRID offset for tracer species: ', I4\n & / 10X, 'Number of tracer phase species: ', I4\n & / 10X, 'Species index for O3PV tracer: ', I4 )\n92002 FORMAT( / 10X, 'PV Scaling at Layers Starting from: ', I4\n & / 10X, 'X3 coordinate value at starting layer: ', F10.7 / )\n92003 FORMAT( / 10X, 'PV Scaling applied above ', F10.2, 'Pa')\n\n END\n" }, { "path": "CCTM/src/reactive_tracers/DEGRADE_PARAMETERS.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n MODULE DEGRADE_PARAMETERS\nC**********************************************************************\nC\nC FUNCTION: Define arrays that identify species within CGRID used\nC based on input arrays\nC\nC REVISION HISTORY: 07/29/05 : B.Hutzell - Initial version\nC 06 May 11: B.Hutzell: convert for Namelist redesign\nC 09 May 11: B.Hutzell: enabled a degraded species to\nC be missing from namelists\nC\nC**********************************************************************\n\n IMPLICIT NONE\n\nC.....INCLUDES:\n\n\nC..declare and define variables used by maps and data\n\n INTEGER, PARAMETER :: N_REACT = 34 ! number of species being degraded\n INTEGER, PARAMETER :: N_UNI_LOSS = 1 ! Number of Unimolecular Loss Processes\n INTEGER, PARAMETER :: N_BI_LOSS = 5 ! Number of Bimolcular Loss processes\n INTEGER, PARAMETER :: N_TRI_LOSS = 2 ! Number of Bimolcular Loss processes\n INTEGER, PARAMETER :: N_PHOTO_LOSS = 2 ! Number of Photolysis Loss processes\n INTEGER, PARAMETER :: N_LANHIN_LOSS = 1 ! Number of Langmuir-Hinshelwood Loss Processes\n\n! Total number of Loss processes \n INTEGER, PARAMETER :: N_PROCESSES = N_UNI_LOSS\n & + N_BI_LOSS\n & + N_PHOTO_LOSS\n & + N_TRI_LOSS\n & + N_LANHIN_LOSS\n\n CHARACTER(16), PARAMETER :: BLANK = ' ' ! default value for characters\n\n INTEGER, SAVE :: N_PHOTO_TAB ! Number of photolysis rates in mechanism\n INTEGER, SAVE :: N_REACT_FOUND ! Number ofreact species found in namelists\n\nC..looping data\n\n INTEGER :: UNI_START\n INTEGER :: BI_START\n INTEGER :: TRI_START\n INTEGER :: PHOTO_START\n INTEGER :: LANHIN_START\n\n INTEGER :: UNI_STOP\n INTEGER :: BI_STOP\n INTEGER :: TRI_STOP\n INTEGER :: PHOTO_STOP\n INTEGER :: LANHIN_STOP\n\n CHARACTER(16), ALLOCATABLE :: REACT( : ) ! names of species being degraded\n CHARACTER(16), ALLOCATABLE :: BICAUSE( :,: ) ! species name that cause degradation\n CHARACTER(16), ALLOCATABLE :: LHCAUSE( :,: ) ! species name that cause degradation\n CHARACTER(16), ALLOCATABLE :: TRICAUSE( :,:,: ) ! species name that cause degradation\n CHARACTER(16), ALLOCATABLE :: PHOTO_NAME( :,: ) ! name of photolysis rate for react(i)\n\n CHARACTER(16), ALLOCATABLE :: BI_PROD ( :,: ) ! name of daughter product for react(i)\n CHARACTER(16), ALLOCATABLE :: TRI_PROD ( :,: ) ! name of daughter product for react(i)\n CHARACTER(16), ALLOCATABLE :: PHOTO_PROD( :,: ) ! name of daughter product for react(i)\n CHARACTER(16), ALLOCATABLE :: UNI_PROD ( :,: ) ! name of daughter product for react(i)\n CHARACTER(16), ALLOCATABLE :: LH_PROD ( :,: ) ! name of daughter product for react(i)\n\n REAL(8), ALLOCATABLE :: UNIRATE ( :,: ) ! rate for unimolecular decay for react(i) [molecules/sec^1]\n REAL(8), ALLOCATABLE :: UNI_ACT ( :,: ) ! activation energy for UNIRATE(I) [K]. Positive if exothermic\n REAL(8), ALLOCATABLE :: UNI_TEXP ( :,: ) ! exponent of Temperature\n REAL, ALLOCATABLE :: UNI_YIELD( :,: ) ! production yield\n\n REAL(8), ALLOCATABLE :: BIRATE ( :,: ) ! degradation rates for bimolecular reactions, [cm^3/(sec*molecules)]\n REAL(8), ALLOCATABLE :: BI_ACT ( :,: ) ! activation energy for BIRATE(I) [K]. Positive if exothermic\n REAL(8), ALLOCATABLE :: BI_TEXP ( :,: ) ! exponent of Temperature\n REAL, ALLOCATABLE :: BI_YIELD( :,: ) ! production yield\n\n REAL(8), ALLOCATABLE :: TRIRATE ( :,: ) ! degradation rates for trimolecular reactions, [cm^3/(sec*molecules)]\n REAL(8), ALLOCATABLE :: TRI_ACT ( :,: ) ! activation energy for TRIRATE(I) [K]. Positive if exothermic\n REAL(8), ALLOCATABLE :: TRI_TEXP ( :,: ) ! exponent of Temperature\n REAL, ALLOCATABLE :: TRI_YIELD( :,: ) ! production yield\n\n REAL(8), ALLOCATABLE :: A_PHOTO ( :,: ) ! multiplier of photolysis rates\n REAL, ALLOCATABLE :: PHOTO_YIELD( :,: ) ! production yield\n\n! Heterogeneous loss of aerosol species with Relative Humidity and Temperature cut-off. It uses an\n! Langmuir-Hinshelwood isotherm to calculate the rate \n REAL(8), ALLOCATABLE :: LHRATE ( :,: ) ! degradation rates for Langmuir-Hinshelwood reactions, [1/sec]\n REAL(8), ALLOCATABLE :: LH_EQU ( :,: ) ! reactant adsorption and diffusion equilibruim constant, [cm^3/molecules]\n REAL, ALLOCATABLE :: LH_YIELD( :,: ) ! production yield\n REAL, ALLOCATABLE :: LH_RHMIN( :,: ) ! Minimum Relative Humidity for nonzero rate [fractional]\n REAL, ALLOCATABLE :: LH_TAMIN( :,: ) ! Minimum Air temperature for nonzero rate [K]\n \n INTEGER :: NDEGRADED_FOUND = 0\n CHARACTER( 16 ), ALLOCATABLE :: DEGRADED_SPECIES( : )\n\nC**********************************************************************\n CONTAINS\n \n SUBROUTINE DEGRADE_DATA()\nC**********************************************************************\nC\nC FUNCTION: Allocate arrays and define data used by degradation routines\nC\nC react(i) does not need the maximum number of causes for degradation.\nC Set \"un-used\" causes to \"' '\".\nC\nC Note, OH and HO both refer to hydroxyl concentrations. The redundancy exists because\nC current mechanisms for gas chemistry use OH or HO to refer to the radical.\nC\nC CALLED BY: INIT_DEGRADE\nC\nC REVISION HISTORY: : 07/29/05 : B.Hutzell - Initial version\nC 10/23/07 : B.Hutzell - added CL reactions for specific HAPs\nC 04/14/08 : B.Hutzell - Removed Benzene for AERO5 module\nC 08/31/11 : B.Hutzell - Removed removed capabilities with previous \nC HAPs mechanisms\nC**********************************************************************\n\n USE CGRID_SPCS ! CGRID species number and offsets\n \n IMPLICIT NONE\n \n LOGICAL, SAVE :: INITIALIZED = .FALSE.\n\n INTEGER :: MARKER, N, M ! indexes\n INTEGER :: I, J, K, L ! loop counters\n \n INTEGER, ALLOCATABLE :: INDEX_FOUND( : )\n\nC**********************************************************************\n\n IF( INITIALIZED )RETURN\n \n INITIALIZED = .TRUE.\n\nC..looping data\n\n UNI_START = 1\n BI_START = UNI_START + N_UNI_LOSS\n TRI_START = BI_START + N_BI_LOSS\n PHOTO_START = TRI_START + N_TRI_LOSS\n LANHIN_START = PHOTO_START + N_PHOTO_LOSS\n \n UNI_STOP = BI_START - 1\n BI_STOP = TRI_START - 1\n TRI_STOP = PHOTO_START - 1\n PHOTO_STOP = LANHIN_START - 1\n LANHIN_STOP = N_PROCESSES\n \n ALLOCATE( REACT ( N_REACT ) ) ! names of species being degraded\n ALLOCATE( BICAUSE ( N_BI_LOSS, N_REACT ) ) ! species name that cause degradation\n ALLOCATE( TRICAUSE ( 2, N_TRI_LOSS, N_REACT ) ) ! species name that cause degradation\n ALLOCATE( PHOTO_NAME( N_PHOTO_LOSS, N_REACT ) ) ! name of photolysis rate for react(i)\n ALLOCATE( LHCAUSE ( N_LANHIN_LOSS, N_REACT ) ) ! species name that cause degradation\n \n ALLOCATE( UNIRATE ( N_UNI_LOSS, N_REACT ) ) ! rate for unimolecular decay for react(i) [molecules/sec^1]\n ALLOCATE( UNI_ACT ( N_UNI_LOSS, N_REACT ) ) ! activation energy for UNIRATE(I) [K]. Positive if exothermic\n ALLOCATE( UNI_TEXP ( N_UNI_LOSS, N_REACT ) ) ! exponent of Temperature and UNIRATE(I) factored by (1/298)**UNI_TEXP\n ALLOCATE( UNI_PROD ( N_UNI_LOSS, N_REACT ) ) ! name of daughter product for react(i)\n ALLOCATE( UNI_YIELD( N_UNI_LOSS, N_REACT ) ) ! yield of daughter product for react(i)\n \n ALLOCATE( BIRATE ( N_BI_LOSS, N_REACT ) ) ! degradation rates for bimolecular reactions, [cm^3/(sec*molecules)]\n ALLOCATE( BI_ACT ( N_BI_LOSS, N_REACT ) ) ! activation energy for BIRATE(I) [K]. Positive if exothermic\n ALLOCATE( BI_TEXP ( N_BI_LOSS, N_REACT ) ) ! exponent of Temperature and BIRATE(I) factored by (1/298)**BI_TEXP\n ALLOCATE( BI_PROD ( N_BI_LOSS, N_REACT ) ) ! name of daughter product for react(i)\n ALLOCATE( BI_YIELD( N_BI_LOSS, N_REACT ) ) ! yield of daughter product for react(i)\n \n ALLOCATE( TRIRATE ( N_TRI_LOSS, N_REACT ) ) ! degradation rates for trimolecular reactions, [cm^3/(sec*molecules)]\n ALLOCATE( TRI_ACT ( N_TRI_LOSS, N_REACT ) ) ! activation energy for TRIRATE(I) [K]. Positive if exothermic\n ALLOCATE( TRI_TEXP ( N_TRI_LOSS, N_REACT ) ) ! exponent of Temperature and TRIRATE(I) factored by (1/298)**TRI_TEXP\n ALLOCATE( TRI_PROD ( N_TRI_LOSS, N_REACT ) ) ! name of daughter product for react(i)\n ALLOCATE( TRI_YIELD( N_TRI_LOSS, N_REACT ) ) ! yield of daughter product for react(i)\n \n ALLOCATE( A_PHOTO ( N_PHOTO_LOSS, N_REACT ) ) ! multiplier of photolysis rates\n ALLOCATE( PHOTO_PROD ( N_PHOTO_LOSS, N_REACT ) ) ! name of daughter product for react(i)\n ALLOCATE( PHOTO_YIELD( N_PHOTO_LOSS, N_REACT ) ) ! yield of daughter product for react(i)\n \n \n ALLOCATE( LHRATE ( N_LANHIN_LOSS, N_REACT ) ) \n ALLOCATE( LH_EQU ( N_LANHIN_LOSS, N_REACT ) ) \n ALLOCATE( LH_PROD ( N_LANHIN_LOSS, N_REACT ) ) \n ALLOCATE( LH_YIELD( N_LANHIN_LOSS, N_REACT ) ) \n ALLOCATE( LH_RHMIN( N_LANHIN_LOSS, N_REACT ) )\n ALLOCATE( LH_TAMIN( N_LANHIN_LOSS, N_REACT ) )\n \n\n ALLOCATE( INDEX_FOUND( N_REACT ) )\n \n INDEX_FOUND = -1 \n REACT = BLANK\n PHOTO_NAME = BLANK\n BICAUSE = BLANK\n TRICAUSE = BLANK\n LHCAUSE = BLANK\n \n UNI_ACT = 0.0D0\n UNIRATE = 0.0D0\n UNI_TEXP = 0.0D0\n UNI_YIELD = 0.0\n \n BI_ACT = 0.0D0\n BIRATE = 0.0D0\n BI_TEXP = 0.0D0\n BI_YIELD = 0.0\n \n TRI_ACT = 0.0D0\n TRIRATE = 0.0D0\n TRI_TEXP = 0.0D0\n TRI_YIELD = 0.0\n \n A_PHOTO = 0.0D0\n PHOTO_YIELD = 0.0\n \n LH_EQU = 0.0D0\n LHRATE = 0.0D0\n LH_YIELD = 0.0\n LH_RHMIN = 0.0\n LH_TAMIN = 0.0\n \n! product are unused aspect and results not returned cgrid \n UNI_PROD = BLANK\n BI_PROD = BLANK\n TRI_PROD = BLANK\n PHOTO_PROD = BLANK\n LH_PROD = BLANK\n\n\nC..toxic VOC's\n\nC.. ACRYLONITRILE\n\n REACT(1) = 'ACRY_NITRILE'\n BICAUSE(1:5,1) = (/'OH ','HO ','O3 ','NO3','CL '/)\n BIRATE(1:5,1) = (/ 4.8D-12, 4.8D-12, 1.9D-19, 6.3D-18, 5.2D-14/)\n BI_ACT(1:5,1) = (/ 0.0D0, 0.0D0, 0.0D0, 0.0D0, -1.4D+3/)\n\nC.. CARBON TETRACHLORIDE\n\n REACT(2) = 'CARBONTET'\n BICAUSE(1:5,2) = (/'OH ','HO ','O3 ','NO3','CL '/)\n BIRATE(1:5,2) = (/ 1.0D-12, 1.0D-12, 0.0D0, 0.0D0, 9.55D-11/)\n BI_ACT(1:5,2) = (/2300.0D0,2300.0D0, 0.0D0, 0.0D0, 7.80D+03/)\n\nC.. PROPYLENE DICHLORIDE\n\n REACT(3) = 'PROPYL_DICL'\n BICAUSE(1:5,3) = (/'OH ','HO ','O3 ','NO3','CL '/)\n BIRATE(1:5,3) = (/ 2.2D-13, 2.2D-13, 0.0D0, 0.0D0, 1.1D-11/)\n BI_ACT(1:5,3) = (/ 0.0D0, 0.0D0, 0.0D0, 0.0D0, 0.0D0/)\n\nC.. DICHLORIPROPENE\n\n REACT(4) = 'DICL_PROPENE'\n BICAUSE(1:4,4) = (/'OH ','HO ','O3 ','NO3'/)\n BIRATE(1:4,4) = (/1.04D-11, 1.04D-11, 4.10D-19, 0.0D0/)\n BI_ACT(1:4,4) = (/ 0.0D0, 0.0D0, 0.0D0, 0.0D0/)\n\nC.. 1,1,2,2TETRACHLOROETHANE\n\n REACT(5) = 'CL4_ETHANE'\n BICAUSE(1:5,5) = (/'OH ','HO ','O3 ','NO3','CL '/)\n BIRATE(1:5,5) = (/2.46D-13, 2.46D-13, 0.0D0, 0.0D0, 1.91D-13/)\n BI_ACT(1:5,5) = (/ 0.0D0, 0.0D0, 0.0D0, 0.0D0, 0.00D0/)\n\nC.. CHLOROFORM\n\n REACT(6) = 'CHCL3'\n BICAUSE(1:5,6) = (/'OH ','HO ','O3 ','NO3','CL '/)\n BIRATE(1:5,6) = (/6.30D-18, 6.30D-18, 0.0D0, 0.0D0, 4.9D-12/)\n BI_ACT(1:5,6) = (/ 504.D0, 504.D0, 0.0D0, 0.0D0, 1.24D+3/)\n BI_TEXP(1:2,6) = (/ 2.0D0, 2.0D0/)\n\nC.. 1,2DIBROMOETHANE\n\n REACT(7) = 'BR2_C2_12'\n BICAUSE(1:4,7) = (/'OH ','HO ','O3 ','NO3'/)\n BIRATE(1:4,7) = (/1.03D-17, 1.03D-17, 0.0D0, 0.0D0/)\n BI_ACT(1:4,7) = (/ 422.D0, 422.D0, 0.0D0, 0.0D0/)\n BI_TEXP(1:2,7) = (/ 2.0D0, 2.0D0/)\n\nC.. 1,2DICHLOROTHANE\n\n REACT(8) = 'CL2_C2_12'\n BICAUSE(1:5,8) = (/'OH ','HO ','O3 ','NO3','CL '/)\n BIRATE(1:5,8) = (/1.10D-17, 1.10D-17, 0.0D0, 0.0D0, 4.93D-11/)\n BI_ACT(1:5,8) = (/ 409.D0, 409.D0, 0.0D0, 0.0D0, 1.09D+3/)\n BI_TEXP(1:2,8) = (/ 2.0D0, 2.0D0/)\n\nC.. ETHYLENE OXIDE\n\n REACT(9) = 'ETOX'\n BICAUSE(1:5,9) = (/'OH ','HO ','O3 ','NO3','CL '/)\n BIRATE(1:5,9) = (/7.60D-14, 7.60D-14, 0.0D0, 0.0D0, 5.0D-12/)\n BI_ACT(1:5,9) = (/ 0.0D0, 0.0D0, 0.0D0, 0.0D0, 0.0D0/)\n\nC.. METHYLENE CHLORIDE\n\n REACT(10) = 'CL2_ME'\n BICAUSE(1:5,10) = (/'OH ','HO ','O3 ','NO3','CL '/)\n BIRATE(1:5,10) = (/8.54D-18, 8.54D-18, 0.0D0, 0.0D0, 2.81D-11/)\n BI_ACT(1:5,10) = (/ 500.D0, 500.D0, 0.0D0, 0.0D0, 1.3D+3/)\n BI_TEXP(1:2,10) = (/ 2.0D0, 2.0D0/)\n\nC.. PERCHLOROETHYLENE\n\n REACT(11) = 'CL4_ETHE'\n BICAUSE(1:5,11) = (/'OH ','HO ','O3 ','NO3','CL '/)\n BIRATE(1:5,11) = (/9.64D-12, 9.64D-12, 0.0D0, 0.0D0, 3.72D-8/)\n BI_ACT(1:5,11) = (/ 1209.D0, 1209.D0, 0.0D0, 0.0D0, 0.0D0/)\n BI_TEXP(1:5,11) = (/ 0.0D0, 0.0D0, 0.0D0, 0.0D0,-1.2D0/)\n\nC.. TRICHLOROETHYLENE\n\n REACT(12) = 'CL3_ETHE'\n BICAUSE(1:5,12) = (/'OH ','HO ','O3 ','NO3','CL '/)\n BIRATE(1:5,12) = (/5.63D-13, 5.63D-13, 0.0D0, 0.0D0, 8.07D-11/)\n BI_ACT(1:5,12) = (/ -427.D0, -427.D0, 0.0D0, 0.0D0, 0.0D0/)\n\nC.. VINYL CHLORIDE\n\n REACT(13) = 'CL_ETHE'\n BICAUSE(1:5,13) = (/'OH ','HO ','O3 ','NO3', 'CL '/)\n BIRATE(1:5,13) = (/1.69D-12, 1.69D-12, 0.0D0,1.84D-13, 1.27D-10/)\n BI_ACT(1:5,13) = (/ -422.D0, -422.D0, 0.0D0, 1764.D0, 0.0D0/)\n\nC.. NAPHTHALENE\n\n REACT(14) = 'NAPHTHALENE'\n BICAUSE(1:3,14) = (/'OH ','HO ','O3 '/)\n BIRATE(1:3,14) = (/1.05D-12, 1.05D-12, 2.01D-19/)\n BI_ACT(1:3,14) = (/ -901.D0, -901.D0, 0.0D0/)\n TRICAUSE(1:2,1,14) = (/'NO3 ','NO2 '/)\n TRIRATE( 1,14) = 3.94D-34\n TRI_ACT( 1,14) = -4.10D+03\n\nC.. QUINOLINE\n\n REACT(15) = 'QUINOLINE'\n BICAUSE(1:4,15) = (/'OH ','HO ','O3 ','NO2'/)\n BIRATE(1:4,15) = (/1.16D-11, 1.16D-11, 1.00D-19, 1.60D-20/)\n\nC.. HEXAMETHYLENE DIISOCAYNATE\n\n REACT(16) = 'HEXMETH_DIS'\n BICAUSE(1:2,16) = (/'OH ','HO '/)\n BIRATE(1:2,16) = (/7.94D-12, 7.94D-12/)\n\nC.. HYDRAZINE\n\n REACT(17) = 'HYDRAZINE'\n BICAUSE(1:3,17) = (/'OH ','HO ','O3 '/)\n BIRATE(1:3,17) = (/3.60D-11, 3.60D-11, 3.00D-17/)\n\nC.. MALEIC ANHYDRIDE\n\n REACT(18) = 'MAL_ANHYDRID'\n BICAUSE(1:3,18) = (/'OH ','HO ','NO3 '/)\n BIRATE(1:3,18) = (/1.45D-12, 1.45D-12, 1.02D-13/)\n\nC.. TOULENE DIISOCYANATE \n\n REACT(19) = 'TOL_DIIS'\n BICAUSE(1:2,19) = (/'OH ','HO '/)\n BIRATE(1:2,19) = (/7.41D-12, 7.41D-12/)\n\nC.. TRIETHYLAMINE\n\n REACT(20) = 'TRIETHYLAMIN'\n BICAUSE(1:5,20) = (/'OH ','HO ','O ','O3P ', 'O3 '/)\n BIRATE(1:5,20) = (/3.60D-11, 3.60D-11, 1.09D-11, 1.09D-11, 7.84D-18/)\n\nC.. P-DICHLOROBENZENE \n\n REACT(21) = 'DICL_BENZENE'\n BICAUSE(1:2,21) = (/'OH ','HO '/)\n BIRATE(1:2,21) = (/3.60D-13, 3.60D-13/)\n\nC.. XYLENE\n\n REACT(22) = 'XYLENE '\n BICAUSE(1:3,22) = (/'OH','HO','CL'/)\n BIRATE(1:3,22) = (/1.717D-11, 1.717D-11, 1.433D-10/)\n\nC.. STYRENE\n\n REACT(23) = 'STYRENE '\n BICAUSE(1:4,23) = (/'OH','HO','O3','CL'/)\n BIRATE(1:4,23) = (/1.02D-11, 1.02D-11, 1.51D-13, 3.6D-10/)\n BI_ACT(1:2,23) = (/ -532.0D0, -532.0D0/)\n\nC.. ACETONITRILE\n\n REACT(24) = 'ACET_NITRILE '\n BICAUSE(1:3,24) = (/'OH','HO','CL'/)\n BIRATE(1:3,24) = (/ 8.31D-13, 8.31D-13, 1.60D-11/)\n BI_ACT(1:3,24) = (/ 1080.0D0, 1080.0D0, 2140.0D0/)\n\nC.. ACRYACID\n\n REACT(25) = 'ACRYACID '\n BICAUSE(1:4,25) = (/'OH','HO','O3','CL'/)\n BIRATE(1:4,25) = (/1.75D-11, 1.75D-11, 6.50D-19, 4.00D-10/)\n\nC.. HEXANE \n \n REACT(26) = 'HEXANE '\n BICAUSE(1:3,26) = (/'OH','HO','CL'/)\n BIRATE(1:3,26) = (/ 1.98D-11, 1.91D-11, 3.30D-10/)\n BI_ACT(1:2,26) = (/ 394.0D0, 394.0D0/)\n\nC.. METHCHLORIDE\n \n REACT(27) = 'METHCHLORIDE '\n BICAUSE(1:3,27) = (/'OH','HO','CL'/)\n BIRATE(1:3,27) = (/ 2.10D-12, 2.10D-12, 1.80D-11/)\n BI_ACT(1:3,27) = (/ 1210.0D0, 1210.0D0, 1081D0/)\n\nC.. CARBSULFIDE\n\n REACT(28) = 'CARBSULFIDE '\n BICAUSE(1:3,28) = (/'OH','HO','O3'/)\n BIRATE(1:3,28) = (/ 1.10D-13, 1.10D-13, 3.01D-16/)\n BI_ACT(1:2,28) = (/ 1200.0D0, 1200.0D0/)\n\nC.. CHLOROPRENE\n\n REACT(29) = 'CHLOROPRENE '\n BICAUSE(1:5,29) = (/'OH ','HO ','O3 ','NO3','CL '/)\n BIRATE(1:5,29) = (/ 6.20D-11, 6.20D-11, 1.40D-16,\n & 3.60D-13, 3.62D-10/)\n\nC.. ETHYLBENZENE\n\n REACT(30) = 'ETHYLBENZENE '\n BICAUSE(1:4,30) = (/'OH ','HO ','NO3','CL '/)\n BIRATE(1:4,30) = (/ 7.00D-12, 7.00D-12, 5.70D-16,\n & 1.15D-10/)\n\nC.. BENZO[A]PYRENE \n\n REACT(31) = 'BENAPY '\n BICAUSE(1:2,31) = (/'OH ','HO '/)\n BIRATE(1:2,31) = (/ 5.00D-11, 5.00D-11/)\n\nC.. BENZO[A]PYRENE, accumulation mode\n\n REACT(32) = 'ABENAPYJ '\n LHCAUSE(1,32) = 'O3 '\n! LHRATE(1,32) = 5.40D-02 ! average between 0% and 70% Rel. Hum. Points in Owususa et al. (2004)\n! LH_EQU(32) = 2.00D-15 ! average between 0% and 70% Rel. Hum. Points in Owususa et al. (2004)\n LHRATE(1,32) = 3.10D-02 ! average between 50% and 70% Rel. Hum. Points in Zhou et al. (2013) for organic shell around NH4SO4 core\n LH_EQU(1,32) = 10.1D-15 ! average between 50% and 70% Rel. Hum. Points in Zhou et al. (2013) for organic shell around NH4SO4 core\n LH_TAMIN(1,32) = 275.15 ! based on New-Shield BaP heteorogeneous oxidation treatment in Shrivastava et al. (2017)\n LH_RHMIN(1,32) = 0.50 ! based on New-Shield BaP heteorogeneous oxidation treatment in Shrivastava et al. (2017)\n\nC.. BENZO[A]PYRENE, Aitken mode\n\n REACT(33) = 'ABENAPYI '\n LHCAUSE(1,33) = 'O3 '\n! LHRATE(1,33) = 5.40D-02 ! average between 0% and 70% Rel. Hum. Points in Owususa et al. (2004)\n! LH_EQU(1,33) = 2.00D-15 ! average between 0% and 70% Rel. Hum. Points in Owususa et al. (2004)\n LHRATE(1,33) = 3.10D-02 ! average between 50% and 70% Rel. Hum. Points in Zhou et al. (2013)\n LH_EQU(1,33) = 10.1D-15 ! average between 50% and 70% Rel. Hum. Points in Zhou et al. (2013)\n LH_TAMIN(1,33) = 275.15 ! based on New-Shield BaP heteorogeneous oxidation treatment in Shrivastava et al. (2017)\n LH_RHMIN(1,33) = 0.50 ! based on New-Shield BaP heteorogeneous oxidation treatment in Shrivastava et al. (2017)\n\nC.. CARBON TETRACHLORIDE without boundary conditions\n\n REACT(34) = 'CARB_TET_NBC'\n BICAUSE(1:5,34) = (/'OH ','HO ','O3 ','NO3','CL '/)\n BIRATE(1:5,34) = (/ 1.0D-12, 1.0D-12, 0.0D0, 0.0D0, 9.55D-11/)\n BI_ACT(1:5,34) = (/2300.0D0,2300.0D0, 0.0D0, 0.0D0, 7.80D+03/)\n\n NDEGRADED_FOUND = 0\n DO I = 1, N_REACT\n N = 0\n DO J = 1, N_GC_SPC\n IF ( TRIM( REACT( I ) ) == TRIM( GC_SPC( J ) ) ) THEN\n N = J\n EXIT\n END IF\n END DO\n IF ( N == 0 ) THEN ! search aerosol them non-reactive species for index\n DO J = 1, N_AE_SPC\n IF ( TRIM( REACT( I ) ) == TRIM( AE_SPC( J ) ) ) THEN\n N = J\n EXIT\n END IF\n END DO\n IF ( N == 0 ) THEN\n DO J = 1, N_NR_SPC\n IF ( TRIM( REACT( I ) ) == TRIM( NR_SPC( J ) ) ) THEN\n N = J\n EXIT\n END IF\n END DO\n ENDIF\n ENDIF\n IF ( N == 0 ) CYCLE\n NDEGRADED_FOUND = NDEGRADED_FOUND + 1 \n INDEX_FOUND( NDEGRADED_FOUND ) = I\n END DO\n IF ( NDEGRADED_FOUND .GT. 0 ) THEN\n ALLOCATE( DEGRADED_SPECIES( NDEGRADED_FOUND ) )\n DO I = 1, NDEGRADED_FOUND \n DEGRADED_SPECIES( I ) = REACT( INDEX_FOUND( I ) )\n END DO\n END IF\n \n DEALLOCATE( INDEX_FOUND )\n \n RETURN\n END SUBROUTINE DEGRADE_DATA\n \n END MODULE DEGRADE_PARAMETERS\n\n" }, { "path": "CCTM/src/reactive_tracers/DEGRADE_ROUTINES.F", "content": "!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n MODULE DEGRADE_ROUTINES\n\n USE DEGRADE_SETUP_TOX\n\n IMPLICIT NONE\n\n CONTAINS\n\n\n\n SUBROUTINE DEGRADE( CBLK, DT, JDATE, JTIME )\n\nC**********************************************************************\nC\nC Function: Calculate changes in gas species based on a exponential decay.\nC The decay rate sums losses from processes in DEGRADE_DATA.\nC\nC CALLED BY: HRSOLVER\nC\nC WARNING: THIS ROUTINE ASSUMES SIMPLE AND LINEAR TRANSFORMATIONS FROM\nC ATMOSPHERIC CHEMISTRY.\nC\nC Species being degraded are governed by the equation,\nC dx/dt = -b*x, where b is the sum of N loss rates\nC\nC IT DOES NOT SOLVE A SYSTEM OF ODE's AS IN SMVGEAR, ROS3, and EBI SOLVERS.\nC\nC REVISION HISTORY: 07/29/05 : B.Hutzell - Initial version\nC 09/30/11 : B.Hutzell - added CYCLE statements to allow \nC optional degraded species i.e., RXTANT_MAP( I )\nC is less than zero\nC**********************************************************************\n\n USE RXNS_DATA\n#ifdef isam\n USE SA_DEFN\n#endif \n\n IMPLICIT NONE\n\nC.....ARGUMENTS:\n\n REAL( 8 ), INTENT( IN ) :: CBLK( : ) ! array holding species concentrations\n REAL( 8 ), INTENT( IN ) :: DT ! time step for integrations [sec]\n INTEGER, INTENT( IN ) :: JDATE ! current model date , coded YYYYDDD\n INTEGER, INTENT( IN ) :: JTIME ! current model time , coded HHMMSS\n\nC.....PARAMETERS:\n\n CHARACTER(16), PARAMETER :: PNAME = ' DEGRADE ' ! name of routine calling I/OAPI\n\n INTEGER, PARAMETER :: LOCAL_DT = 3 ! minimum time step, mili-seconds\n\n REAL(8), PARAMETER :: CONMIN = 1.0D-30 ! concentration lower limit\n REAL(8), PARAMETER :: ONE = 1.0D0\n REAL(8), PARAMETER :: ZERO = 0.0D0\n\n\nC.....LOCAL VARIABLES:\n\n CHARACTER(16) :: VNAME ! variable name\n CHARACTER(120) :: XMSG\n\n INTEGER :: TIME_SECONDS ! TIME, sec\n INTEGER :: I_RXT, I_RAD, J_RAD, I_PROD ! indices\n INTEGER :: I, J, K, L ! loop counters\n INTEGER, SAVE :: I_SIZE ! scratch\n \n integer :: icount\n\n \n LOGICAL, SAVE :: FIRSTCALL = .TRUE.\n LOGICAL, SAVE :: ANY_PRODUCTS( N_REACT ) ! does degraded species have any daughter products\n \n REAL(8) :: TRANS ! molecules/cm^3 transferred to products\n REAL(8) :: LOSS_RATE( N_PROCESSES ) ! individual loss rates [sec^-1]\n REAL(8) :: NET_RATE ! net rate of transfer [sec^-1]\n REAL(8) :: NET_LIFE( N_REACT) ! lifetime based on net transfer rate [sec]\n REAL(8) :: TSTEP ! degradation time step, sec\n REAL(8) :: EQU_FACTOR ! equilibrium concentration, [ dimensionaless ] \n#ifdef isam\n REAL(8) :: FACTOR ! relative change in bulk concentration\n REAL(8) :: ISAM_INIT ! sum of initial tag concentrations\n#endif \nC**********************************************************************\n\n IF ( FIRSTCALL ) THEN ! initialize maps\n I_SIZE = SIZE( CBLK )\n FIRSTCALL = .FALSE.\n \n DO I = 1, N_REACT\n IF( ANY( PROD_MAP( 1:N_PROCESSES, I ) > 0 ) )THEN\n ANY_PRODUCTS( I ) = .TRUE.\n ELSE\n ANY_PRODUCTS( I ) = .FALSE.\n END IF\n END DO\n !TAG_CONMIN = CONMIN / REAL( NTAG_SA,8 )\n ENDIF\n\nC..Update concentrations except degraded species\n\n LOOP_NEW: DO I = 1, I_SIZE\n DO J = 1, N_REACT\n IF( RXTANT_MAP( J ) .EQ. I )THEN\n CYCLE LOOP_NEW\n END IF\n ENDDO\n NEW_CONC( I ) = CBLK( I ) \n ENDDO LOOP_NEW\n \n CHANGE_CONC = ZERO\n\nC..Quality Control on time step\n\n TSTEP = DT\n BLOCK_A : IF ( TSTEP < 0.0D0 ) THEN\n XMSG = ' Time step has negative value. '\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT3 )\n ENDIF BLOCK_A\n\nC..Loop over each reactant\n\n LOOP_REACT: DO I = 1, N_REACT\n \n LOSS_RATE = ZERO\n NET_RATE = ZERO\n NET_LIFE( I ) = ZERO\n\n I_RXT = RXTANT_MAP( I )\n IF( I_RXT < 0 )CYCLE LOOP_REACT\n \n\n IF( NEW_CONC( I_RXT ) <= CONMIN )CYCLE LOOP_REACT\n\n\n LOOP_UNIRATE: DO J = UNI_START, UNI_STOP\n LOSS_RATE( J ) = CELL_RKI( J, I )\n ENDDO LOOP_UNIRATE\n\n L = 0\n\n LOOP_BIRATE: DO J = BI_START, BI_STOP\n L = L + 1\n I_RAD = RAD_MAP( L, I )\n IF ( I_RAD < 1 ) CYCLE ! radical species is undefined\n IF( I_RAD < 9000 )THEN\n LOSS_RATE( J ) = 0.5D0 * CELL_RKI( J, I )\n & * ( OLD_CONC( I_RAD ) + NEW_CONC( I_RAD ) )\n ELSE\n LOSS_RATE( J ) = CELL_RKI( J, I )\n END IF\n ENDDO LOOP_BIRATE\n\n L = 0\n\n LOOP_TRIRATE: DO J = TRI_START, TRI_STOP\n L = L + 1\n I_RAD = RAD2_MAP( 1, L, I )\n J_RAD = RAD2_MAP( 2, L, I )\n IF ( I_RAD < 1 .OR. J_RAD < 1 ) CYCLE ! radical species are undefined\n IF ( I_RAD > 9000 .AND. J_RAD < 9000 ) THEN\n LOSS_RATE( J ) = 0.5D0 * CELL_RKI( J, I )\n & * ( OLD_CONC( J_RAD ) + NEW_CONC( J_RAD ) )\n ELSE IF ( J_RAD > 9000 .AND. I_RAD < 9000 ) THEN\n LOSS_RATE( J ) = 0.5D0 * CELL_RKI( J, I )\n & * ( OLD_CONC( I_RAD ) + NEW_CONC( I_RAD ) )\n ELSE IF ( J_RAD < 9000 .AND. I_RAD < 9000 ) THEN\n LOSS_RATE( J ) = 0.5D0 * CELL_RKI( J, I )\n & * ( OLD_CONC( I_RAD ) * OLD_CONC( J_RAD )\n & + NEW_CONC( I_RAD ) * NEW_CONC( J_RAD ) )\n ELSE \n LOSS_RATE( J ) = CELL_RKI( J, I )\n END IF\n ENDDO LOOP_TRIRATE\n\n L = 0\n LOOP_PHOTORATE: DO J = PHOTO_START, PHOTO_STOP\n L = L + 1\n LOSS_RATE( J ) = CELL_RKI( J, I )\n ENDDO LOOP_PHOTORATE\n\n L = 0 \n\n LOOP_LHRATE: DO J = LANHIN_START, LANHIN_STOP\n L = L + 1\n I_RAD = RAD_MAP( L + N_BI_LOSS, I )\n IF ( I_RAD < 1 ) CYCLE ! radical species is undefined\n IF ( I_RAD < 9000 )THEN\n EQU_FACTOR = 0.5D0 * CELL_RKI( J, I )\n & * ( OLD_CONC( I_RAD ) + NEW_CONC( I_RAD ) )\n ELSE\n EQU_FACTOR = CELL_RKI( J, I ) \n END IF\n LOSS_RATE( J ) = LHRATE( L, I ) * EQU_FACTOR \n & / ( 1.0D0 + EQU_FACTOR )\n\n ENDDO LOOP_LHRATE\n\n LOOP_RATE : DO J = 1, N_PROCESSES\n NET_RATE = NET_RATE + LOSS_RATE( J )\n ENDDO LOOP_RATE\n \n IF ( NET_RATE * DT .LE. EFFECTIVE_ZERO ) THEN\n TRANS = 0.0D0\n ELSE\n NET_LIFE( I ) = 1.0D0 / NET_RATE \n TRANS = NEW_CONC( I_RXT ) * ( 1.0D0 - DEXP( -NET_RATE * DT ) )\n END IF\n\n IF ( TRANS > CONMIN ) THEN\n CHANGE_CONC( I_RXT ) = TRANS \n IF( ANY( PROD_MAP( 1:N_PROCESSES, I ) > 0 ) )THEN\n LOOP_PROD: DO J = 1, N_PROCESSES\n I_PROD = PROD_MAP( J, I )\n IF( I_PROD > 0 )THEN\n CHANGE_CONC( I_PROD ) = ( LOSS_RATE( J ) * NET_LIFE( I ) )\n END IF\n END DO LOOP_PROD\n END IF\n END IF\n\n ENDDO LOOP_REACT\n\n OLD_CONC( 1:NSPCSD ) = NEW_CONC( 1:NSPCSD )\n\nC..update concentrations\n\n LOOP_UPDATE1: DO I = 1, N_REACT\n \n I_RXT = RXTANT_MAP( I )\n IF( I_RXT < 0 )CYCLE LOOP_UPDATE1\n\n IF ( CHANGE_CONC( I_RXT ) <= EFFECTIVE_ZERO .OR. NEW_CONC( I_RXT ) <= CONMIN ) CYCLE\n NEW_CONC( I_RXT ) = MAX( NEW_CONC( I_RXT )- CHANGE_CONC( I_RXT ),CONMIN )\n IF( ANY_PRODUCTS( I ) )THEN\n LOOP_UPDATE2: DO J = 1, N_PROCESSES\n I_PROD = PROD_MAP( J, I )\n IF ( I_PROD > 0 ) THEN ! specified product\n CHANGE_CONC( I_PROD ) = CHANGE_CONC( I_PROD )\n & * MAX( OLD_CONC( I_RXT )-NEW_CONC( I_RXT ),\n & ZERO ) \n NEW_CONC( I_PROD ) = NEW_CONC( I_PROD )\n & + RATE_YIELD( J, I )\n & * MAX( CHANGE_CONC( I_PROD ), CONMIN )\n END IF\n ENDDO LOOP_UPDATE2\n END IF\n ENDDO LOOP_UPDATE1\n#if defined(isam) && defined(verbose_isam_deg)\n IF( DEG_LAY .EQ. 1 .AND. DEG_ROW .EQ. 1 .AND. DEG_COL .EQ. 1 )THEN\n WRITE(LOGDEV,'(/,A,I3)')'SA_DEGRADE_STEP: ',SA_DEGRADE_STEP\n WRITE(LOGDEV,'(/A18,(1X,A12),1X,A12,6(1X,A12))')'S ISAM_DEGRADED', 'FACTOR', 'REACT',\n & 'INIT_BULK','ISAM_INIT','FINI_BULK','ISAM_FINI','LIFE (days)'\n END IF\n#endif \n#ifdef isam\n LOOP_ISAM: DO I = 1, ISAM_DEGRADED_SPC\n \n I_RXT = ISAM_TO_DEGRADED( I )\n I_RAD = ISAM_TO_REACTANT( I )\n IF( I_RXT .GT. 0 )THEN \n\n! scale loss of tag based on their fraction of the bulk\n FACTOR = NEW_CONC( I_RXT ) / MAX( OLD_CONC( I_RXT ),CONMIN )\n#if defined(isam) && defined(verbose_isam_deg)\n ISAM_INIT = SUM(CELL_ISAM( 1:NTAG_SA,I))\n#endif\n DO J = 1, NTAG_SA\n CELL_ISAM( J,I ) = CELL_ISAM( J,I ) * FACTOR\n END DO ! ktag loop\n#if defined(isam) && defined(verbose_isam_deg)\n IF( DEG_LAY .EQ. 1 .AND. DEG_ROW .EQ. 1 .AND. DEG_COL .EQ. 1 )THEN\n WRITE(LOGDEV,'(A2,A16,1X,ES12.4,1X,A16,6(1X,ES12.4))')'S ',ISAM_DEGRADED( I ), FACTOR, REACT( I_RAD ),\n & OLD_CONC( I_RXT ),ISAM_INIT,\n & NEW_CONC( I_RXT ),SUM(CELL_ISAM( 1:NTAG_SA,I)),\n & 1.15741D-5*NET_LIFE( I_RAD )\n END IF\n#endif \n END IF\n ENDDO LOOP_ISAM\n#endif\n\n RETURN\n END SUBROUTINE DEGRADE\n\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/work/rep/arc/CCTM/src/gas/ros3/degrade.F,v 1.3 2011/10/21 16:11:12 yoj Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\n\n SUBROUTINE DEGRADE_BLK( CBLK, DT, JDATE, JTIME, BLKID )\nC**********************************************************************\nC\nC Function: Calculate changes in gas species based on a exponential decay.\nC The decay rate sums losses from processes in DEGRADE_DATA.\nC\nC CALLED BY: RBSOLVER or GRSMVGEAR\nC\nC WARNING: THIS ROUTINE ASSUMES SIMPLE AND LINEAR TRANSFORMATIONS FROM\nC ATMOSPHERIC CHEMISTRY.\nC\nC Species being degraded are governed by the equation,\nC dx/dt = -b*x, where b is the sum of N loss rates\nC\nC IT DOES NOT SOLVE A SYSTEM OF ODE's AS IN SMVGEAR, ROS3, and EBI SOLVERS.\nC\nC REVISION HISTORY: 07/29/05 : B.Hutzell - Initial version\nC\nC**********************************************************************\n\n USE RXNS_DATA\n\n IMPLICIT NONE\n\nC.....ARGUMENTS:\n\n REAL( 8 ), INTENT( IN ) :: CBLK( :, : ) ! array holding species concentrations\n REAL( 8 ), INTENT( IN ) :: DT ! time step for integrations [sec]\n INTEGER, INTENT( IN ) :: JDATE ! current model date , coded YYYYDDD\n INTEGER, INTENT( IN ) :: JTIME ! current model time , coded HHMMSS\n INTEGER, INTENT( IN ) :: BLKID ! ID number for the BLK\n\nC.....PARAMETERS:\n\n CHARACTER(16), PARAMETER :: PNAME = ' DEGRADE ' ! name of routine calling I/OAPI\n\n INTEGER, PARAMETER :: LOCAL_DT = 3 ! minimum time step, mili-seconds\n\n REAL(8), PARAMETER :: CONMIN = 1.0D-30 ! concentration lower limit\n REAL(8), PARAMETER :: ZERO = 0.00D00 ! concentration lower limit\n\nC.....LOCAL VARIABLES:\n\n CHARACTER(16) :: VNAME ! variable name\n CHARACTER(120) :: XMSG\n\n LOGICAL, SAVE :: FIRSTCALL = .TRUE.\n LOGICAL, SAVE :: ANY_PRODUCTS( N_REACT ) ! does degraded species have any daughter products\n\n INTEGER :: TIME_SECONDS ! TIME, sec\n INTEGER :: I_RXT, I_RAD, J_RAD, I_PROD ! indices\n INTEGER :: I, J, K, L, I_CELL ! loop counters\n INTEGER, SAVE :: I_SIZE ! scratch\n\n REAL :: TSTEP ! time step for integrations\n REAL(8) :: TRANS ( BLKSIZE ) ! molecules/cm^3 transferred to products\n REAL(8) :: NET_RATE ( BLKSIZE ) ! net rate of transfer [sec^-1]\n REAL(8) :: NET_LIFE ( BLKSIZE ) ! lifetime based on net transfer rate [sec]\n REAL(8) :: LOSS_RATE( BLKSIZE, N_PROCESSES ) ! individual loss rates [sec^-1]\n \n REAL(8) :: FACTOR\n REAL(8) :: LIFETIME( N_REACT ) = 0.0D0\n\nC***********************************************************************\n\n IF ( FIRSTCALL ) THEN ! initialize maps\n I_SIZE = SIZE( CURR_CONC, 2 )\n FIRSTCALL = .FALSE.\n DO I = 1, N_REACT\n IF( ANY( PROD_MAP( 1:N_PROCESSES, I ) > 0 ) )THEN\n ANY_PRODUCTS( I ) = .TRUE.\n ELSE\n ANY_PRODUCTS( I ) = .FALSE.\n END IF\n END DO\n ENDIF\n\nC..Initialize concentrations changes\n\n DELT_CONC = 0.0D0\n\nC..Quality Control on time step\n\n TSTEP = DT\n BLOCK_A : IF ( TSTEP < 0.0D0 ) THEN\n WRITE(XMSG,'(A)')TRIM(' Time step has negative value. ')\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT3 )\n ENDIF BLOCK_A\n\nC..Update concentrations except degraded species\n\n LOOP_UPDATE0: DO J = 1, NSPCSD\n DO I = 1, N_REACT\n IF( RXTANT_MAP( I ) .EQ. J )CYCLE LOOP_UPDATE0\n END DO\n DO I_CELL = 1, NCELLS \n CURR_CONC( I_CELL, J ) = CBLK( I_CELL, J )\n ENDDO\n ENDDO LOOP_UPDATE0\n\nC..Loop over each reactant\n\n LOOP_REACT: DO I = 1, N_REACT\n\n I_RXT = RXTANT_MAP( I )\n \n IF( I_RXT < 0 )CYCLE LOOP_REACT\n\n\n LOSS_RATE = 0.0D0\n NET_RATE = 0.0D0\n NET_LIFE = 0.0D0\n\n LOOP_UNIRATE: DO J = UNI_START, UNI_STOP\n DO I_CELL = 1, NCELLS\n IF( CURR_CONC( I_CELL, I_RXT ) <= CONMIN )CYCLE \n LOSS_RATE( I_CELL, J ) = RATE_CONST( I_CELL, J, I )\n ENDDO\n ENDDO LOOP_UNIRATE\n\n L = 0\n\n LOOP_BIRATE: DO J = BI_START, BI_STOP\n L = L + 1\n I_RAD = RAD_MAP( L, I )\n IF ( I_RAD < 1 ) CYCLE ! radical species is undefined\n IF ( I_RAD > 9000 ) THEN\n DO I_CELL = 1, NCELLS\n IF( CURR_CONC( I_CELL, I_RXT ) <= CONMIN )CYCLE \n LOSS_RATE( I_CELL, J ) = RATE_CONST( I_CELL, J, I )\n & * NUMB_DENS( I_CELL )\n ENDDO\n ELSE\n DO I_CELL = 1, NCELLS\n IF( CURR_CONC( I_CELL, I_RXT ) <= CONMIN )CYCLE \n LOSS_RATE( I_CELL, J ) = 0.5D0 * RATE_CONST( I_CELL, J, I )\n & * ( PREV_CONC( I_CELL, I_RAD )\n & + CURR_CONC( I_CELL, I_RAD ) )\n ENDDO\n ENDIF\n ENDDO LOOP_BIRATE\n\n L = 0\n\n LOOP_TRIRATE: DO J = TRI_START, TRI_STOP\n L = L + 1\n I_RAD = RAD2_MAP( 1, L, I )\n J_RAD = RAD2_MAP( 2, L, I )\n IF ( I_RAD < 1 .OR. J_RAD < 1 ) CYCLE ! radical species are undefined\n IF ( I_RAD < 9000 .AND. J_RAD < 9000 ) THEN\n DO I_CELL = 1, NCELLS\n IF( CURR_CONC( I_CELL, I_RXT ) <= CONMIN )CYCLE \n LOSS_RATE( I_CELL, J ) = 0.5D0 * RATE_CONST( I_CELL, J, I )\n & * ( PREV_CONC( I_CELL, I_RAD )\n & * PREV_CONC( I_CELL, J_RAD )\n & + CURR_CONC( I_CELL, I_RAD )\n & * CURR_CONC( I_CELL, J_RAD ) )\n ENDDO\n ELSE IF ( J_RAD > 9000 .AND. I_RAD < 9000 ) THEN\n DO I_CELL = 1, NCELLS\n IF( CURR_CONC( I_CELL, I_RXT ) <= CONMIN )CYCLE \n LOSS_RATE( I_CELL, J ) = 0.5D0 * RATE_CONST( I_CELL, J, I )\n & * ( PREV_CONC( I_CELL, I_RAD )\n & + CURR_CONC( I_CELL, I_RAD ) )\n ENDDO\n ELSE IF ( J_RAD < 9000 .AND. I_RAD > 9000 ) THEN\n DO I_CELL = 1, NCELLS\n IF( CURR_CONC( I_CELL, I_RXT ) <= CONMIN )CYCLE \n LOSS_RATE( I_CELL, J ) = 0.5D0 * RATE_CONST( I_CELL, J, I )\n & * ( PREV_CONC( I_CELL, J_RAD )\n & + CURR_CONC( I_CELL, J_RAD ) )\n ENDDO\n END IF\n ENDDO LOOP_TRIRATE\n\n L = 0\n LOOP_PHOTORATE: DO J = PHOTO_START, PHOTO_STOP\n L = L + 1\n DO I_CELL = 1, NCELLS\n LOSS_RATE( I_CELL, J ) = RATE_CONST( I_CELL, J, I )\n ENDDO\n ENDDO LOOP_PHOTORATE\n\n L = 0\n LOOP_LHRATE: DO J = LANHIN_START, LANHIN_STOP\n L = L + 1\n I_RAD = RAD_MAP( L + N_BI_LOSS, I )\n IF ( I_RAD < 1 ) CYCLE ! radical species is undefined\n DO I_CELL = 1, NCELLS\n IF ( I_RAD < 9000 )THEN\n LOSS_RATE( I_CELL, J ) = 0.5D0 * RATE_CONST( I_CELL, J, I )\n & * ( PREV_CONC( I_CELL, I_RAD ) + CURR_CONC( I_CELL, I_RAD ) )\n ELSE\n LOSS_RATE( I_CELL, J ) = RATE_CONST( I_CELL, J, I ) \n END IF\n LOSS_RATE( I_CELL, J ) = LHRATE( L, I ) * LOSS_RATE( I_CELL, J ) \n & / ( 1.0D0 + LOSS_RATE( I_CELL, J ) )\n END DO\n ENDDO LOOP_LHRATE\n\n\n LOOP_RATE : DO J = 1, N_PROCESSES\n DO I_CELL = 1, NCELLS\n NET_RATE( I_CELL ) = NET_RATE( I_CELL )\n & + LOSS_RATE( I_CELL, J )\n ENDDO\n ENDDO LOOP_RATE\n\n LOOP_LIFE: DO I_CELL = 1, NCELLS\n IF ( NET_RATE( I_CELL ) * DT .LE. EFFECTIVE_ZERO .OR. CURR_CONC( I_CELL, I_RXT ) <= CONMIN ) THEN\n TRANS( I_CELL ) = ZERO\n IF( WRITE_CELL( I_CELL ) )LIFETIME( I ) = INFINITY\n ELSE\n NET_LIFE( I_CELL ) = 1.0D0 / NET_RATE( I_CELL )\n IF( WRITE_CELL( I_CELL ) )LIFETIME( I ) = NET_LIFE( I_CELL ) \n TRANS( I_CELL ) = CURR_CONC( I_CELL, I_RXT )\n & * ( 1.0D0 - DEXP( - NET_RATE( I_CELL )*DT ) )\n DELT_CONC( I_CELL, I_RXT ) = - MAX( TRANS( I_CELL ), ZERO )\n END IF\n END DO LOOP_LIFE\n \n IF( ANY( PROD_MAP( 1:N_PROCESSES, I ) > 0 ) )THEN\n IF( ANY( DELT_CONC( :, I_RXT ) > -CONMIN ) )THEN\n LOOP_PROD: DO J = 1, N_PROCESSES\n I_PROD = PROD_MAP( J, I )\n IF( I_PROD > 0 )THEN\n DO I_CELL = 1, NCELLS\n DELT_CONC( I_CELL, I_PROD ) = ( LOSS_RATE( I_CELL, J ) * NET_LIFE( I_CELL ) )\n END DO\n END IF\n END DO LOOP_PROD\n END IF\n END IF\n \n ENDDO LOOP_REACT\n\nC..update previous concentrations\n\n DO J = 1, NSPCSD\n DO I_CELL = 1, NCELLS\n PREV_CONC( I_CELL, J ) = CURR_CONC( I_CELL, J )\n ENDDO\n ENDDO\n\nC..update current concentrations\n#ifdef verbose_gas\n IF( WRITE_BLOCK )THEN\n DEGRADE_STEP = DEGRADE_STEP + 1\n WRITE(LOGDEV,'(/,A,I3)')'DEGRADE_STEP: ',DEGRADE_STEP\n WRITE(LOGDEV,'(/A18,4(1X,A18))')'S DEGRADED', 'FACTOR', \n & 'PREV_CONC','CURR_CONC','LIFE (days)'\n END IF\n#endif\n\n LOOP_UPDATE1: DO I = 1, N_REACT\n \n I_RXT = RXTANT_MAP( I )\n IF( I_RXT < 0 )CYCLE LOOP_UPDATE1\n DO I_CELL = 1, NCELLS\n IF( -DELT_CONC( I_CELL, I_RXT ) > CONMIN .AND. CURR_CONC( I_CELL, I_RXT ) > CONMIN )THEN\n CURR_CONC( I_CELL, I_RXT ) = MAX( (PREV_CONC( I_CELL, I_RXT ) + DELT_CONC( I_CELL, I_RXT )),\n & CONMIN )\n END IF\n#ifdef verbose_gas\n IF( WRITE_CELL( I_CELL ) )THEN\n FACTOR = 1.0D0 + MIN( -1.0D0,( DELT_CONC( I_CELL,I_RXT )/PREV_CONC( I_CELL,I_RXT ) ) )\n WRITE(LOGDEV,'(A2,A16,5(1X,ES18.10))')'S ',REACT( I ), FACTOR, \n & PREV_CONC( I_CELL,I_RXT ),CURR_CONC( I_CELL,I_RXT ),1.15741D-5*LIFETIME( I ),DELT_CONC( I_CELL,I_RXT )\n END IF\n#endif\n ENDDO\n\n IF( ANY_PRODUCTS( I ) )THEN\n LOOP_UPDATE2: DO J = 1, N_PROCESSES\n I_PROD = PROD_MAP( I, J )\n IF ( I_PROD > 0 ) THEN ! a specified product\n DO I_CELL = 1, NCELLS\n DELT_CONC( I_CELL, I_PROD ) = DELT_CONC( I_CELL, I_PROD )\n & * MAX( PREV_CONC(I_CELL, I_RXT )-CURR_CONC( I_CELL, I_RXT ),\n & ZERO ) \n CURR_CONC( I_CELL, I_PROD ) = CURR_CONC( I_CELL, I_PROD )\n & + RATE_YIELD( I, J ) * DELT_CONC( I_CELL, I_PROD )\n ENDDO\n END IF\n END DO LOOP_UPDATE2\n END IF\n\n ENDDO LOOP_UPDATE1\n\n RETURN\n END SUBROUTINE DEGRADE_BLK\n\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header$\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\n\n SUBROUTINE FINAL_DEGRADE( CBLK )\nC**********************************************************************\nC\nC FUNCTION: Update CBLK concentrations with concentrations from degrade\nC routines\nC\nC CALLED BY: HRDRIVER\nC\nC REVISION HISTORY: 07/29/05 : B.Hutzell - Initial version\nC 09/30/11 : B.Hutzell - added CYCLE statements to allow \nC optional degraded species i.e., RXTANT_MAP( I )\nC is less than zero\nC\nC**********************************************************************\n\n\n IMPLICIT NONE\n\nC.....ARGUMENTS:\n\n REAL( 8 ), INTENT( INOUT ) :: CBLK( : ) ! species concentration in cell\n\nC.....LOCAL VARIABLES:\n\n REAL, PARAMETER :: CONMIN = 1.0E-30\n\n INTEGER :: I_RXT, I_PROD ! indices\n INTEGER :: I, J, K ! loop counters\n\nC**********************************************************************\n\n LOOP_REACT: DO I = 1, N_REACT ! Loop over each reactant\n\nc..update CBLK\n\n I_RXT = RXTANT_MAP( I )\n\n IF( I_RXT <= 0 )CYCLE LOOP_REACT\n\n CBLK( I_RXT ) = NEW_CONC( I_RXT )\n\n LOOP_PROD: DO J = 1, N_PROCESSES\n\n I_PROD = PROD_MAP( J, I )\n\n IF( I_PROD < 1 ) CYCLE ! no specified product\n\n CBLK( I_PROD ) = NEW_CONC( I_PROD )\n\n ENDDO LOOP_PROD\n\n ENDDO LOOP_REACT\n\n END SUBROUTINE FINAL_DEGRADE\n\n\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE FINAL_DEGRADE_BLK( CBLK )\nC**********************************************************************\nC\nC FUNCTION: Update CBLK concentrations with concentrations from degrade\nC routines\nC\nC CALLED BY: GRDRIVER or RBDRIVER\nC\nC REVISION HISTORY: 07/29/05 : B.Hutzell - Initial version\nC 09/30/11 : B.Hutzell - added CYCLE statements to allow \nC optional degraded species i.e., RXTANT_MAP( I )\nC is less than zero\nC\nC\nC**********************************************************************\n\n\n IMPLICIT NONE\n\n\nC.....ARGUMENTS:\n\n REAL( 8 ), INTENT( INOUT ) :: CBLK( :, : ) ! species conc in cell\n\nC.....LOCAL VARIABLES:\n\n REAL, PARAMETER :: CONMIN = 1.0E-30\n\n INTEGER :: I_RXT, I_PROD ! indices\n INTEGER :: I, J, K, I_CELL ! loop counters\n\nC**********************************************************************\n\n LOOP_BLOCK: DO I_CELL = 1, NCELLS\n\n LOOP_REACT: DO I = 1, N_REACT ! Loop over each reactant\n\nc..update CBLK\n\n I_RXT = RXTANT_MAP( I )\n\n IF( I_RXT < 0 )CYCLE LOOP_REACT\n\n CBLK( I_CELL, I_RXT ) = CURR_CONC( I_CELL, I_RXT )\n\n LOOP_PROD: DO J = 1, N_PROCESSES\n\n I_PROD = PROD_MAP( J, I )\n\n IF( I_PROD < 1 ) CYCLE ! no specified product\n\n CBLK( I_CELL, I_PROD ) = CURR_CONC( I_CELL, I_PROD )\n\n ENDDO LOOP_PROD\n\n ENDDO LOOP_REACT\n\n ENDDO LOOP_BLOCK\n\n END SUBROUTINE FINAL_DEGRADE_BLK\n\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header$\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\n SUBROUTINE FIND_DEGRADED( JDATE, JTIME, CALL_DEGRADE )\n\nC**********************************************************************\nC\nC Function: Set Logic Flag in whether to call degradation routines\nC\nC CALLED BY: HRDRIVER\nC\nC**********************************************************************\n \n\n IMPLICIT NONE\n \nC.....INCLUDES: NONE\n\nC.....ARGUMENTS:\n\n INTEGER, INTENT( IN ) :: JDATE ! current model date , coded YYYYDDD\n INTEGER, INTENT( IN ) :: JTIME ! current model time , coded HHMMSS\n LOGICAL, INTENT( OUT ) :: CALL_DEGRADE ! whether to call degradation routines\n\nC.....LOCAL VARIABLES:\n\n CHARACTER( 144 ) :: XMSG ! Message text\n CHARACTER( 16 ), SAVE :: PNAME = 'FIND_DEGRADED' ! Routine name\n\n CALL DEGRADE_DATA()\n\n CALL DEGRADE_MAP( JDATE, JTIME )\n \n IF( N_REACT_FOUND .GT. 0 )THEN\n CALL_DEGRADE = .TRUE.\n ELSE\n CALL_DEGRADE = .FALSE.\n ENDIF\n \n RETURN\n \n END SUBROUTINE FIND_DEGRADED\n\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header$\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\n\n SUBROUTINE INIT_DEGRADE( CBLK, TCELL, DCELL, PRESS_CELL, QV_CELL, PHOTO_CELL,\n & JDATE, JTIME )\nC**********************************************************************\nC\nC FUNCTION: Initialize arrays used by degrade routines then load\nC CBLK concentration needed in degrade routines.\nC\nC CALLED BY: HRDRIVER\nC\nC REVISION HISTORY: 07/29/05 : B.Hutzell - Initial version\nC 09/30/11 : B.Hutzell - added CYCLE statements to allow \nC optional degraded species i.e., RXTANT_MAP( I )\nC is less than zero\nC\nC**********************************************************************\n\n USE RUNTIME_VARS\n USE RXNS_DATA\n USE AERO_DATA\n#ifdef sens\n USE DDM3D_DEFN, ONLY : NP, NPMAX\n#endif\n\n IMPLICIT NONE\n\n\nC.....ARGUMENTS:\n\n REAL( 8 ), INTENT( IN ) :: CBLK( : ) ! species concentration in cell\n REAL, INTENT( IN ) :: TCELL ! cell temperature [ k ]\n REAL, INTENT( IN ) :: DCELL ! cell air density [ kg/m^3 ]\n REAL, INTENT( IN ) :: PRESS_CELL ! cell Pressure [ Pa ]\n REAL, INTENT( IN ) :: QV_CELL ! cell water vapor mass mixing ratio [ kg/kg ]\n REAL( 8 ), INTENT( IN ) :: PHOTO_CELL( : ) ! Photolysis table for cell [ 1/min ]\n\n INTEGER, INTENT( IN ) :: JDATE ! current model date , coded YYYYDDD\n INTEGER, INTENT( IN ) :: JTIME ! current model time , coded HHMMSS\n\nC.....LOCAL VARIABLES:\n\n CHARACTER( 144 ) :: XMSG ! Message text\n CHARACTER( 16 ), SAVE :: PNAME = 'INIT_DEGRADE' ! Routine name\n\n REAL(8), SAVE :: MASS_TO_NUMBER ! air mass density( Kg/m3) to number density( #/cm3 ) [ (# per moles)/Kg ]\n\n REAL(8), SAVE :: CONV_M2N ! factor to convert ppm times mass density in [kg/m^3]\n ! into number density in [molecules/cm^3]\n \n REAL(8) :: PPM_2_NUMBER ! conversion factor from ppm to molecules/cm^3\n REAL(8) :: INV_TAIR ! reciprocal of temperature, [K^-1]\n REAL(8) :: FACTOR ! scale factor\n \n\n INTEGER :: I, J, K ! loop counters\n INTEGER, SAVE :: ISIZE ! dimension of CBLK array\n \n LOGICAL, SAVE :: FIRSTCALL = .TRUE. \n\n REAL, PARAMETER :: MAOMW = MWAIR / MWWAT ! Mol Wt of air over Mol Wt of water \n \n! Murray, F.W. 1966. ``On the computation of Saturation Vapor Pressure,'\n! J. Appl. Meteor., 6, p. 204.\n! esw (in mb) = 6.1078exp[ a(T-273.16)/ (T-b) ], 1 mb = 100 Pa\n! SVP1 => 610.78\n! SVP2 => a and SV3 => 35.85\n! over water \n REAL, PARAMETER :: EP_2 = RDGAS / RWVAP\n REAL, PARAMETER :: SVP1 = 610.78 ! [ Pa ]\n REAL, PARAMETER :: SVP2 = 17.2693882\n REAL, PARAMETER :: SVP3 = 35.86\n\n REAL :: ESW ! water vapor liquid saturaturion vapor pressure (Pa)\n REAL :: QVSW ! water vapor saturation mixing ratio (Kg/Kg)\n REAL :: RHUM ! relative humidity (fraction)\n\n REAL :: ORG_H2O ! moles water in organic aeosol mass\n REAL :: ORG_AERO ! moles organic mass\n REAL :: H2O_MOLAR_FRACTION ! molar fraction of water in organic aerosol mass\n\nC**********************************************************************\n\n IF ( FIRSTCALL ) THEN ! initialize constants and allocate arrays\n\n MASS_TO_NUMBER = REAL( 1.0E-3*AVO / MWAIR, 8 )\n \n CONV_M2N = 1.0D-6 * MASS_TO_NUMBER\n\n ISIZE = SIZE( CBLK )\n \n ALLOCATE( OLD_CONC( ISIZE ) )\n ALLOCATE( NEW_CONC( ISIZE ) )\n#ifdef sens\n ALLOCATE( SENS_CONC ( NPMAX, N_AE_SPC ) )\n SENS_CONC = 0.0\n#endif\n ALLOCATE( CHANGE_CONC( ISIZE ) )\n ALLOCATE( IS_AERO_ORGANIC ( N_AEROSPC ) )\n ALLOCATE( CELL_RKI( N_PROCESSES, N_REACT ) )\n \n IS_AERO_ORGANIC( : ) = ( AEROSPC( : )%OM .AND. .NOT. AEROSPC( : )%TRACER )\n\n FIRSTCALL = .FALSE.\n\n EFFECTIVE_ZERO = TINY( CONV_M2N )\n\n ENDIF\n\nC..initialize concentrations and their changes\n CHANGE_CONC = 0.0D0\n CELL_RKI = 0.0D0\n\n DO I = 1, ISIZE\n OLD_CONC( I ) = MAX( CBLK( I ), 0.0D0 )\n NEW_CONC( I ) = OLD_CONC( I )\n END DO\n \n\n CONC_AIR = MASS_TO_NUMBER * REAL( DCELL, 8 )\n CONC_N2 = ATM_N2 * CONC_AIR \n CONC_O2 = ATM_O2 * CONC_AIR \n CONC_CH4 = ATM_CH4 * CONC_AIR \n CONC_H2 = ATM_H2 * CONC_AIR \n CONC_H2O = MAOMW * QV_CELL * CONC_AIR \n \n TEMP_AIR = REAL( TCELL, 8 )\n\n PPM_2_NUMBER = CONV_M2N * REAL( DCELL, 8 )\n INV_TAIR = 1.0D0 / TEMP_AIR\n\n LOOP_REACT: DO I = 1, N_REACT ! calculated rate constants\n\n IF( RXTANT_MAP( I ) < 0 )CYCLE LOOP_REACT\n\n LOOP_UNIRATE: DO J = 1, N_UNI_LOSS\n IF( UNIRATE( J, I ) .LT. EFFECTIVE_ZERO )CYCLE\n CELL_RKI( J, I ) = UNIRATE( J, I )\n & * TEMP_AIR**UNI_TEXP( J, I )\n & * DEXP( -UNI_ACT( J, I )*INV_TAIR )\n END DO LOOP_UNIRATE\n\n LOOP_BIRATE: DO J = 1, N_BI_LOSS\n IF( BIRATE( J, I ) .LT. EFFECTIVE_ZERO )CYCLE\n IF ( RAD_MAP( J, I ) < 0 ) CYCLE\n SELECT CASE ( RAD_MAP( J, I ) )\n CASE ( 9999 )\n FACTOR = CONC_AIR \n CASE ( 9998 )\n FACTOR = CONC_N2\n CASE ( 9997 )\n FACTOR = CONC_O2\n CASE ( 9996 )\n FACTOR = CONC_CH4\n CASE ( 9995 )\n FACTOR = CONC_H2\n CASE ( 9994 )\n FACTOR = CONC_H2O\n CASE DEFAULT\n FACTOR = PPM_2_NUMBER \n END SELECT \n CELL_RKI( J+UNI_STOP, I ) = FACTOR * BIRATE( J, I )\n & * TEMP_AIR**BI_TEXP( J, I )\n & * DEXP( -BI_ACT( J, I )*INV_TAIR )\n\n END DO LOOP_BIRATE\n\n LOOP_TRIRATE: DO J = 1, N_TRI_LOSS\n IF( TRIRATE( J, I ) .LT. EFFECTIVE_ZERO )CYCLE\n IF ( RAD2_MAP( 1, J, I ) < 0 .OR. RAD2_MAP( 2, J, I ) < 0 ) CYCLE\n SELECT CASE ( RAD2_MAP( 1, J, I ) )\n CASE ( 9999 )\n FACTOR = CONC_AIR \n CASE ( 9998 )\n FACTOR = CONC_N2\n CASE ( 9997 )\n FACTOR = CONC_O2\n CASE ( 9996 )\n FACTOR = CONC_CH4\n CASE ( 9995 )\n FACTOR = CONC_H2\n CASE ( 9994 )\n FACTOR = CONC_H2O\n CASE DEFAULT\n FACTOR = PPM_2_NUMBER \n END SELECT \n SELECT CASE ( RAD2_MAP( 2, J, I ) )\n CASE ( 9999 )\n FACTOR = FACTOR * CONC_AIR \n CASE ( 9998 )\n FACTOR = FACTOR * CONC_N2\n CASE ( 9997 )\n FACTOR = FACTOR * CONC_O2\n CASE ( 9996 )\n FACTOR = FACTOR * CONC_CH4\n CASE ( 9995 )\n FACTOR = FACTOR * CONC_H2\n CASE ( 9994 )\n FACTOR = FACTOR * CONC_H2O\n CASE DEFAULT\n FACTOR = FACTOR * PPM_2_NUMBER \n END SELECT\n CELL_RKI( J+BI_STOP, I ) = FACTOR * TRIRATE( J, I )\n & * TEMP_AIR**TRI_TEXP( J, I )\n & * DEXP( -TRI_ACT( J, I )*INV_TAIR )\n END DO LOOP_TRIRATE\n\n LOOP_PHOTORATE: DO J = 1, N_PHOTO_LOSS\n\n K = PHOTO_MAP( J, I )\n IF ( K < 1 ) CYCLE\n IF( A_PHOTO( J, I ) .LT. EFFECTIVE_ZERO )CYCLE\n CELL_RKI( J+TRI_STOP, I ) = 60.0D0 * A_PHOTO( J, I )\n & * PHOTO_CELL( K )\n\n END DO LOOP_PHOTORATE\n\n\n IF ( AE7ORGH2O ) THEN ! use water absorbed by organic mass\n#ifdef sens\n CALL EXTRACT_AERO( REAL( CBLK( : ),4 ), .FALSE., SENS_CONC, .FALSE. )\n#else\n CALL EXTRACT_AERO( REAL( CBLK( : ),4 ), .FALSE. )\n#endif\n ORG_H2O = SUM( AEROSPC_CONC( AORGH2O_IDX, 1:2 ) ) * AEROSPC_MWINV( AORGH2O_IDX )\n ORG_AERO = SUM( SUM( AEROSPC_CONC( :,1:2 ),2 ) * AEROSPC_MWINV( : ), \n & MASK=IS_AERO_ORGANIC( : ) ) \n H2O_MOLAR_FRACTION = ORG_H2O / MAX( (ORG_H2O + ORG_AERO), EFFECTIVE_ZERO )\n ELSE ! use relative humidity as surrogate\n ESW = SVP1 * EXP( SVP2 * ( TCELL - STDTEMP ) / ( TCELL - SVP3 ) )\n QVSW = ( EP_2 * ESW ) / ( PRESS_CELL - ESW )\n RHUM = QV_CELL / QVSW \n H2O_MOLAR_FRACTION = RHUM\n END IF\n \n LOOP_LHRATE: DO J = 1, N_LANHIN_LOSS\n\n IF ( RAD_MAP( J + N_BI_LOSS, I ) < 0 ) CYCLE\n IF( LHRATE( J, I ) .GT. EFFECTIVE_ZERO \n & .AND. TCELL .GT. LH_TAMIN( J, I ) \n & .AND. H2O_MOLAR_FRACTION .GT. LH_RHMIN( J, I ) )THEN\n SELECT CASE ( RAD_MAP( J + N_BI_LOSS, I ) )\n CASE ( 9999 )\n FACTOR = CONC_AIR \n CASE ( 9998 )\n FACTOR = CONC_N2\n CASE ( 9997 )\n FACTOR = CONC_O2\n CASE ( 9996 )\n FACTOR = CONC_CH4\n CASE ( 9995 )\n FACTOR = CONC_H2\n CASE ( 9994 )\n FACTOR = CONC_H2O\n CASE DEFAULT\n FACTOR = PPM_2_NUMBER \n END SELECT \n CELL_RKI( J+PHOTO_STOP, I ) = LH_EQU( J, I ) * FACTOR\n END IF\n\n END DO LOOP_LHRATE\n\n END DO LOOP_REACT\n\n RETURN\n\n END SUBROUTINE INIT_DEGRADE\n\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header$\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\n\n SUBROUTINE INIT_DEGRADE_BLK( CBLK, TCELL, DCELL, PRESS_CELL, H2O_CELL, PHOTO_CELL,\n & JDATE, JTIME )\nC**********************************************************************\nC\nC FUNCTION: Initialize arrays used by degrade routines then load\nC CBLK concentration needed in degrade routines.\nC\nC CALLED BY: GRDRIVER or RBDRIVER\nC\nC REVISION HISTORY: 07/29/05 : B.Hutzell - Initial version\nC 09/30/11 : B.Hutzell - added CYCLE statements to allow \nC optional degraded species i.e., RXTANT_MAP( I )\nC is less than zero\nC\nC**********************************************************************\n\n USE RUNTIME_VARS\n USE RXNS_DATA\n USE AERO_DATA\n#ifdef sens\n USE DDM3D_DEFN, ONLY : NP, NPMAX\n#endif\n\n IMPLICIT NONE\n\n\nC.....ARGUMENTS:\n\n REAL( 8 ), INTENT( IN ) :: CBLK( :,: ) ! species concentration in cell\n REAL( 8 ), INTENT( IN ) :: TCELL( : ) ! cell temperature [ k ]\n REAL( 8 ), INTENT( IN ) :: DCELL( : ) ! cell air density [ kg/m^3 ]\n REAL( 8 ), INTENT( IN ) :: PRESS_CELL( : ) ! cell Pressure [ atm ]\n REAL( 8 ), INTENT( IN ) :: H2O_CELL( : ) ! cell water vapor mass mixing ratio [ ppm ]\n REAL( 8 ), INTENT( IN ) :: PHOTO_CELL( :,: ) ! Photolysis table for cell [1/min]\n\n INTEGER, INTENT( IN ) :: JDATE ! current model date , coded YYYYDDD\n INTEGER, INTENT( IN ) :: JTIME ! current model time , coded HHMMSS\n\nC.....LOCAL VARIABLES:\n\n CHARACTER( 144 ) :: XMSG ! Message text\n CHARACTER( 16 ), SAVE :: PNAME = 'INIT_DEGRADE' ! Routine name\n\n REAL(8), SAVE :: MASS_TO_NUMBER ! air mass density( Kg/m3) to number density( #/cm3 ) [ (# per moles)/Kg ]\n\n REAL(8), SAVE :: CONV_M2N ! factor to convert ppm times mass density in [kg/m^3]\n ! into number density in [molecules/cm^3]\n \n REAL(8) :: FACTOR ! scale factor\n \n\n INTEGER :: I, J, K ! loop counters\n INTEGER, SAVE :: ISIZE ! dimension of CBLK array\n \n LOGICAL, SAVE :: FIRSTCALL = .TRUE. \n\n REAL, PARAMETER :: MAOMW = MWAIR / MWWAT ! Mol Wt of air over Mol Wt of water \n REAL( 8 ), PARAMETER :: MWOMA = REAL( MWWAT / MWAIR,8 ) ! Mol Wt of water over Mol Wt of air \n REAL( 8 ), PARAMETER :: ATM_TO_PA = REAL( STDATMPA,8 ) ! Pascals per Atmosphere\n \n! Murray, F.W. 1966. ``On the computation of Saturation Vapor Pressure,'\n! J. Appl. Meteor., 6, p. 204.\n! esw (in mb) = 6.1078exp[ a(T-273.16)/ (T-b) ], 1 mb = 100 Pa\n! SVP1 => 610.78\n! SVP2 => a and SV3 => 35.85\n! over water \n REAL, PARAMETER :: EP_2 = RDGAS / RWVAP\n REAL, PARAMETER :: SVP1 = 610.78 ! [ Pa ]\n REAL, PARAMETER :: SVP2 = 17.2693882\n REAL, PARAMETER :: SVP3 = 35.86\n\n REAL :: ESW ! water vapor liquid saturaturion vapor pressure (Pa)\n REAL :: QVSW ! water vapor saturation mixing ratio (Kg/Kg)\n REAL :: RHUM ! relative humidity (fraction)\n\n REAL :: ORG_H2O ! moles water in organic aeosol mass\n REAL :: ORG_AERO ! moles organic mass\n REAL, ALLOCATABLE, SAVE :: H2O_MOLAR_FRACTION( : ) ! molar fraction of water in organic aerosol mass\n \n INTEGER :: ICELL\n\nC**********************************************************************\n\n IF ( FIRSTCALL ) THEN ! initialize constants and allocate arrays\n\n\n MASS_TO_NUMBER = REAL( 1.0E-3*AVO / MWAIR, 8 )\n \n CONV_M2N = 1.0D-6 * MASS_TO_NUMBER\n\n ALLOCATE( PREV_CONC ( BLKSIZE, NSPCSD ) )\n ALLOCATE( CURR_CONC ( BLKSIZE, NSPCSD ) )\n#ifdef sens\n ALLOCATE( SENS_BLK ( BLKSIZE, NPMAX, N_AE_SPC ) )\n SENS_BLK = 0.0\n#endif\n ALLOCATE( DELT_CONC ( BLKSIZE, NSPCSD ) )\n ALLOCATE( TEMP ( BLKSIZE ) )\n ALLOCATE( INV_TEMP ( BLKSIZE ) )\n ALLOCATE( NUMB_DENS ( BLKSIZE ) )\n ALLOCATE( NUMB_H2O ( BLKSIZE ) )\n ALLOCATE( CONV_FACT ( BLKSIZE ) )\n ALLOCATE( WRITE_CELL( BLKSIZE ) )\n ALLOCATE( IS_AERO_ORGANIC ( N_AEROSPC ) )\n\n ALLOCATE( RATE_CONST( BLKSIZE, N_PROCESSES, N_REACT ) )\n\n ALLOCATE( H2O_MOLAR_FRACTION( BLKSIZE ) )\n \n IS_AERO_ORGANIC( : ) = ( AEROSPC( : )%OM .AND. .NOT. AEROSPC( : )%TRACER )\n\n INFINITY = HUGE( CONV_M2N )\n EFFECTIVE_ZERO = TINY( CONV_M2N )\n WRITE_CELL = .FALSE.\n\n FIRSTCALL = .FALSE.\n ENDIF\n\nC..initialize concentrations and their changes\n DELT_CONC = 0.0D0\n RATE_CONST = 0.0D0\n DEGRADE_STEP = 0\n \n DO I = 1, NSPCSD\n PREV_CONC( :,I ) = MAX( CBLK( :,I ), 0.0D0 )\n CURR_CONC( :,I ) = PREV_CONC( :,I )\n END DO\n \n NUMB_DENS = MASS_TO_NUMBER * REAL( DCELL, 8 )\n NUMB_H2O = 1.0D-6 * H2O_CELL * NUMB_DENS\n CONV_FACT = CONV_M2N * REAL( DCELL, 8 )\n \n TEMP = REAL( TCELL, 8 )\n PRESS = ATM_TO_PA * PRESS_CELL\n\n WHERE( TEMP .GT. 0 )\n INV_TEMP = 1.0D0 / TEMP\n ELSE WHERE\n INV_TEMP = 0.0D0\n END WHERE\n\n LOOP_REACT: DO I = 1, N_REACT ! calculated rate constants\n\n IF( RXTANT_MAP( I ) < 0 )CYCLE LOOP_REACT\n\n LOOP_UNIRATE: DO J = 1, N_UNI_LOSS\n IF( UNIRATE( J, I ) .LT. EFFECTIVE_ZERO )CYCLE\n LOOP_CELL: DO ICELL = 1, NCELLS\n RATE_CONST( ICELL, J, I ) = UNIRATE( J, I )\n & * TEMP( ICELL )**UNI_TEXP( J, I )\n & * DEXP( -UNI_ACT( J, I )*INV_TEMP( ICELL ) )\n END DO LOOP_CELL\n END DO LOOP_UNIRATE\n#ifdef verbose_gas\n IF( WRITE_BLOCK )THEN\n WRITE(LOGDEV,'(A,6(1X,ES12.4))')'TEMP,NUMB,PRESS = ',TCELL(ICELL_WRITE),NUMB_DENS(ICELL_WRITE),\n & PRESS(ICELL_WRITE)\n WRITE(LOGDEV,*)'UNIRATES for ',REACT(I)\n DO J = 1, N_UNI_LOSS\n WRITE(LOGDEV,*)J,RATE_CONST( ICELL_WRITE, J, I )\n END DO\n END IF\n#endif\n\n LOOP_BIRATE: DO J = 1, N_BI_LOSS\n IF( BIRATE( J, I ) .LT. EFFECTIVE_ZERO )CYCLE\n IF ( RAD_MAP( J, I ) < 0 ) CYCLE\n SELECT CASE ( RAD_MAP( J, I ) )\n CASE ( 9999 )\n FACTOR = ATM_AIR \n CASE ( 9998 )\n FACTOR = ATM_N2\n CASE ( 9997 )\n FACTOR = ATM_O2\n CASE ( 9996 )\n FACTOR = ATM_CH4\n CASE ( 9995 )\n FACTOR = ATM_H2\n CASE DEFAULT\n FACTOR = 1.0D0 \n END SELECT \n IF ( RAD_MAP( J, I ) .EQ. 9994 ) THEN\n DO ICELL = 1, NCELLS\n RATE_CONST( ICELL, J+UNI_STOP, I ) = NUMB_H2O( ICELL ) * BIRATE( J, I )\n & * TEMP( ICELL )**BI_TEXP( J, I )\n & * DEXP( -BI_ACT( J, I )*INV_TEMP( ICELL ) )\n END DO\n ELSE\n DO ICELL = 1, NCELLS\n RATE_CONST( ICELL, J+UNI_STOP, I ) = FACTOR * CONV_FACT( ICELL ) * BIRATE( J, I )\n & * TEMP( ICELL )**BI_TEXP( J, I )\n & * DEXP( -BI_ACT( J, I )*INV_TEMP( ICELL ) )\n END DO \n END IF\n END DO LOOP_BIRATE\n#ifdef verbose_gas\n IF( WRITE_BLOCK )THEN\n WRITE(LOGDEV,'(A,6(1X,ES12.4))')'TEMP,NUMB,PRESS = ',TCELL(ICELL_WRITE),NUMB_DENS(ICELL_WRITE),\n & PRESS(ICELL_WRITE)\n WRITE(LOGDEV,*)'BIRATES for ',REACT(I)\n DO J = 1, N_BI_LOSS\n WRITE(LOGDEV,*)J+UNI_STOP,RATE_CONST( ICELL_WRITE, J+UNI_STOP, I )\n END DO\n END IF\n#endif\n\n LOOP_TRIRATE: DO J = 1, N_TRI_LOSS\n IF( TRIRATE( J, I ) .LT. EFFECTIVE_ZERO )CYCLE\n IF ( RAD2_MAP( 1, J, I ) < 0 .OR. RAD2_MAP( 2, J, I ) < 0 ) CYCLE\n SELECT CASE ( RAD2_MAP( 1, J, I ) )\n CASE ( 9999 )\n FACTOR = ATM_AIR\n CASE ( 9998 )\n FACTOR = ATM_N2\n CASE ( 9997 )\n FACTOR = ATM_O2\n CASE ( 9996 )\n FACTOR = ATM_CH4\n CASE ( 9995 )\n FACTOR = ATM_H2\n CASE DEFAULT\n FACTOR = 1.0D0\n END SELECT\n SELECT CASE ( RAD2_MAP( 2, J, I ) )\n CASE ( 9999 )\n FACTOR = FACTOR\n CASE ( 9998 )\n FACTOR = FACTOR * ATM_N2\n CASE ( 9997 )\n FACTOR = FACTOR * ATM_O2\n CASE ( 9996 )\n FACTOR = FACTOR * ATM_CH4\n CASE ( 9995 )\n FACTOR = FACTOR * ATM_H2\n CASE DEFAULT\n FACTOR = FACTOR \n END SELECT\n IF ( RAD2_MAP( 1, J, I ) .EQ. 9994 .AND. RAD2_MAP( 2, J, I ) .NE. 9994 ) THEN\n DO ICELL = 1, NCELLS\n RATE_CONST( ICELL, J+BI_STOP, I ) = FACTOR * TRIRATE( J, I )\n & * NUMB_H2O( ICELL ) * CONV_FACT( ICELL ) \n & * TEMP( ICELL )**TRI_TEXP( J, I )\n & * DEXP( -TRI_ACT( J, I )*INV_TEMP( ICELL ) )\n END DO\n ELSE IF ( RAD2_MAP( 1, J, I ) .NE. 9994 .AND. RAD2_MAP( 2, J, I ) .EQ. 9994 ) THEN\n DO ICELL = 1, NCELLS\n RATE_CONST( ICELL, J+BI_STOP, I ) = FACTOR * TRIRATE( J, I )\n & * NUMB_H2O( ICELL ) * CONV_FACT( ICELL ) \n & * TEMP( ICELL )**TRI_TEXP( J, I )\n & * DEXP( -TRI_ACT( J, I )*INV_TEMP( ICELL ) )\n END DO\n ELSE IF ( RAD2_MAP( 1, J, I ) .EQ. 9994 .AND. RAD2_MAP( 2, J, I ) .EQ. 9994 ) THEN\n DO ICELL = 1, NCELLS\n RATE_CONST( ICELL, J+BI_STOP, I ) = TRIRATE( J, I )\n & * NUMB_H2O( ICELL ) * NUMB_H2O( ICELL ) \n & * TEMP( ICELL )**TRI_TEXP( J, I )\n & * DEXP( -TRI_ACT( J, I )*INV_TEMP( ICELL ) )\n END DO\n ELSE\n DO ICELL = 1, NCELLS\n RATE_CONST( ICELL, J+BI_STOP, I ) = FACTOR * TRIRATE( J, I )\n & * CONV_FACT( ICELL ) * CONV_FACT( ICELL ) \n & * TEMP( ICELL )**TRI_TEXP( J, I )\n & * DEXP( -TRI_ACT( J, I )*INV_TEMP( ICELL ) )\n END DO\n END IF\n END DO LOOP_TRIRATE\n#ifdef verbose_gas\n IF( WRITE_BLOCK )THEN\n WRITE(LOGDEV,'(A,6(1X,ES12.4))')'TEMP,NUMB,PRESS = ',TCELL(ICELL_WRITE),NUMB_DENS(ICELL_WRITE),\n & PRESS(ICELL_WRITE)\n WRITE(LOGDEV,*)'TRI_RATES for ',REACT(I)\n DO J = 1, N_TRI_LOSS\n WRITE(LOGDEV,*)J+BI_STOP,RATE_CONST( ICELL_WRITE, J+BI_STOP, I )\n END DO\n END IF\n#endif\n\n LOOP_PHOTORATE: DO J = 1, N_PHOTO_LOSS\n\n K = PHOTO_MAP( J, I )\n IF ( K < 1 ) CYCLE\n IF( A_PHOTO( J, I ) .LT. EFFECTIVE_ZERO )CYCLE\n DO ICELL = 1, NCELLS\n RATE_CONST( ICELL, J+TRI_STOP, I ) = 60.0D0 * A_PHOTO( J, I )\n & * PHOTO_CELL( ICELL, K )\n END DO\n\n END DO LOOP_PHOTORATE\n#ifdef verbose_gas\n IF( WRITE_BLOCK )THEN\n WRITE(LOGDEV,'(A,6(1X,ES12.4))')'TEMP,NUMB,PRESS = ',TCELL(ICELL_WRITE),NUMB_DENS(ICELL_WRITE),\n & PRESS(ICELL_WRITE)\n WRITE(LOGDEV,*)'PHOTO_RATES for ',REACT(I)\n DO J = 1, N_PHOTO_LOSS\n WRITE(LOGDEV,*)J+TRI_STOP,RATE_CONST( ICELL_WRITE,J+TRI_STOP, I )\n END DO\n END IF\n#endif\n\n\n\n IF ( AE7ORGH2O ) THEN ! use water absorbed by organic mass\n DO ICELL = 1, NCELLS\n#ifdef sens\n CALL EXTRACT_AERO( REAL( CBLK( ICELL,: ),4 ), .FALSE., SENS_BLK(ICELL,:,:), .FALSE.)\n#else\n \n CALL EXTRACT_AERO( REAL( CBLK(ICELL,: ),4 ), .FALSE. )\n#endif\n ORG_H2O = SUM( AEROSPC_CONC( AORGH2O_IDX, 1:2 ) ) * AEROSPC_MWINV( AORGH2O_IDX )\n ORG_AERO = SUM( SUM( AEROSPC_CONC( :,1:2 ),2 ) * AEROSPC_MWINV( : ),\n & MASK=IS_AERO_ORGANIC( : ) )\n H2O_MOLAR_FRACTION( ICELL ) = ORG_H2O \n & / MAX( (ORG_H2O + ORG_AERO), EFFECTIVE_ZERO )\n#ifdef verbose_gas\n IF( ICELL .EQ. ICELL_WRITE )THEN\n WRITE(LOGDEV,'(A,6(1X,ES12.4))')'ORG_H2O, ORG_H2O,H2O_MOLAR_FRACTION = ', \n & ORG_H2O, ORG_H2O,H2O_MOLAR_FRACTION(ICELL) \n END IF \n#endif\n END DO\n ELSE ! use relative humidity as surrogate\n DO ICELL = 1, NCELLS\n ESW = SVP1 * EXP( SVP2 * ( TEMP( ICELL ) - STDTEMP ) / ( TEMP( ICELL ) - SVP3 ) )\n QVSW = ( EP_2 * ESW ) / ( PRESS( ICELL ) - ESW )\n RHUM = ( 1.0D-6 * MWOMA * H2O_CELL( ICELL ) ) / QVSW \n H2O_MOLAR_FRACTION( ICELL ) = RHUM\n END DO \n END IF\n \n LOOP_LHRATE: DO J = 1, N_LANHIN_LOSS\n\n IF ( RAD_MAP( J + N_BI_LOSS, I ) < 0 ) CYCLE\n IF( LHRATE( J, I ) .GT. EFFECTIVE_ZERO )THEN\n DO ICELL = 1, NCELLS\n IF ( TCELL( ICELL ) .GT. LH_TAMIN( J, I ) \n & .AND. H2O_MOLAR_FRACTION( ICELL ) .GT. LH_RHMIN( J, I ) ) THEN\n SELECT CASE ( RAD_MAP( J, I ) )\n CASE ( 9999 )\n FACTOR = ATM_AIR\n CASE ( 9998 )\n FACTOR = ATM_N2\n CASE ( 9997 )\n FACTOR = ATM_O2\n CASE ( 9996 )\n FACTOR = ATM_CH4\n CASE ( 9995 )\n FACTOR = ATM_H2\n CASE DEFAULT\n FACTOR = 1.0D0 \n END SELECT \n IF ( RAD_MAP( J, I ) .EQ. 9994 ) THEN\n RATE_CONST( ICELL, J+PHOTO_STOP, I ) = NUMB_H2O( ICELL ) * LH_EQU( J, I )\n ELSE\n RATE_CONST( ICELL, J+PHOTO_STOP, I ) = FACTOR * CONV_FACT( ICELL ) * LH_EQU( J, I )\n END IF\n END IF \n END DO \n END IF\n\n END DO LOOP_LHRATE\n#ifdef verbose_gas\n IF( WRITE_BLOCK )THEN\n WRITE(LOGDEV,'(A,6(1X,ES12.4))')'TEMP,NUMB,PRESS,H2O = ',TCELL(ICELL_WRITE),NUMB_DENS(ICELL_WRITE),\n & PRESS(ICELL_WRITE),NUMB_H2O(ICELL_WRITE)\n WRITE(LOGDEV,*)'LH_RATES for ',REACT(I)\n DO J = 1, N_LANHIN_LOSS\n WRITE(LOGDEV,'(A,1X,I3,6(1X,ES12.4))')'LH_RCONST:', J+PHOTO_STOP,RATE_CONST( ICELL_WRITE, J+PHOTO_STOP, I )\n END DO\n END IF\n#endif\n\n END DO LOOP_REACT\n\n RETURN\n\n END SUBROUTINE INIT_DEGRADE_BLK\n\n END MODULE DEGRADE_ROUTINES\n" }, { "path": "CCTM/src/reactive_tracers/DEGRADE_SETUP_TOX.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n MODULE DEGRADE_SETUP_TOX\nC**********************************************************************\nC\nC FUNCTION: Define arrays that identify species within CGRID used\nC based on input arrays\nC\nC REVISION HISTORY: 07/29/05 : B.Hutzell - Initial version\nC 06 May 11: B.Hutzell: convert for Namelist redesign\nC 09 May 11: B.Hutzell: enabled a degraded species to\nC be missing from namelists\nC\nC**********************************************************************\n\n USE GRID_CONF, ONLY: BLKSIZE ! vertical and horizontal domain specs\n USE CGRID_SPCS ! CGRID species number and offsets\n USE UTILIO_DEFN ! IOAPI declarations and definitions\n USE DEGRADE_PARAMETERS\n\n IMPLICIT NONE\n\nC.....INCLUDES:\n\n INCLUDE SUBST_CONST ! constants\n\n REAL(8) :: EFFECTIVE_ZERO\n REAL(8) :: LOG_EFFECTIVE_ZERO\n REAL(8) :: INFINITY\n\n\nC..arrays to store indices to CGRID\n\n INTEGER, ALLOCATABLE :: RXTANT_MAP ( : )\n INTEGER, ALLOCATABLE :: DEGRADE_INDEX( : )\n INTEGER, ALLOCATABLE :: PROD_MAP( :,: )\n INTEGER, ALLOCATABLE :: RAD_MAP( :,: )\n INTEGER, ALLOCATABLE :: RAD2_MAP( :,:,: )\n INTEGER, ALLOCATABLE :: PHOTO_MAP( :,: )\n \n INTEGER :: DEGRADE_STEP\n INTEGER :: SA_DEGRADE_STEP = 0 \n\nC..saved cell concentrations\n\n REAL( 8 ), ALLOCATABLE :: OLD_CONC( : )\n REAL( 8 ), ALLOCATABLE :: NEW_CONC( : )\n#ifdef sens\n REAL, ALLOCATABLE :: SENS_CONC( :,: )\n#endif\n REAL( 8 ) :: TEMP_AIR ! cell temperature [ K ]\n REAL( 8 ) :: CONC_AIR ! cell air number density [ 1/CM^3 ]\n REAL( 8 ) :: CONC_N2 ! cell N2 number density [ 1/CM^3 ]\n REAL( 8 ) :: CONC_O2 ! cell O2 number density [ 1/CM^3 ]\n REAL( 8 ) :: CONC_CH4 ! cell CH4 number density [ 1/CM^3 ]\n REAL( 8 ) :: CONC_H2 ! cell H2 number density [ 1/CM^3 ]\n REAL( 8 ) :: CONC_H2O ! cell H2O number density [ 1/CM^3 ]\n\nC..saved blocked cells concentrations\n\n REAL( 8 ), ALLOCATABLE :: PREV_CONC( :,: ) \n REAL( 8 ), ALLOCATABLE :: CURR_CONC( :,: )\n#ifdef sens\n REAL, ALLOCATABLE :: SENS_BLK( :,:,: )\n#endif\n REAL( 4 ), ALLOCATABLE :: AERO_BLK ( :,: )\n REAL( 8 ), ALLOCATABLE :: TEMP( : ) ! cell temperature [ K ]\n REAL( 8 ), ALLOCATABLE :: PRESS( : ) ! cell Pressure [ Pa ]\n REAL( 8 ), ALLOCATABLE :: INV_TEMP( : ) ! cell inverse temperature [ 1/K ]\n REAL( 8 ), ALLOCATABLE :: NUMB_DENS( : ) ! cell air number density [ 1/CM^3 ]\n REAL( 8 ), ALLOCATABLE :: NUMB_H2O( : ) ! cell H2O number density [ 1/CM^3 ]\n REAL( 8 ), ALLOCATABLE :: CONV_FACT( : ) ! conversion factor from ppm to molecules/cm^3\n\n REAL(8), ALLOCATABLE :: CHANGE_CONC( : ) ! cell concentration changes predicted by degrade routine\n REAL(8), ALLOCATABLE :: DELT_CONC( :,: ) ! block concentration changes predicted by degrade routine\n\n REAL(8), ALLOCATABLE :: CELL_RKI( :,: ) ! cell rate constant for species\n REAL(8), ALLOCATABLE :: RATE_CONST( :,:,: ) ! block rate constants for species\n REAL(8), ALLOCATABLE :: RATE_YIELD( :,: ) ! product yield from reaction\n\n#ifdef isam\n INTEGER :: ISAM_DEGRADED_SPC ! number of ISAM species with degradation\n INTEGER, ALLOCATABLE :: ISAM_DEGRADE_MAP( : ) ! index in ISAM species array to extract conc\n INTEGER, ALLOCATABLE :: ISAM_TO_DEGRADED( : ) ! index in REACT concentation array\n INTEGER, ALLOCATABLE :: ISAM_TO_REACTANT( : ) ! index in REACT data array to determine degradation\n REAL(8), ALLOCATABLE :: CELL_ISAM( :,: ) ! concentrations apportioned to sources\n CHARACTER( 16 ), ALLOCATABLE :: ISAM_DEGRADED( : ) ! names of degraded isam species\n#endif\n\n LOGICAL, ALLOCATABLE :: IS_AERO_ORGANIC( : ) ! is aerosol species as OA and not a tracer\n\n\n INTEGER :: NCELLS = 0 ! number of cells in block\nC.. variables used to write cell results\n INTEGER :: DEG_LAY = 0\n INTEGER :: DEG_ROW = 0\n INTEGER :: DEG_COL = 0\nC.. variable used to write a cell in a block\n INTEGER :: ICELL_WRITE = 1\n LOGICAL :: WRITE_BLOCK = .FALSE.\n LOGICAL, ALLOCATABLE :: WRITE_CELL( : ) ! write cell value used for debugging and QA\n\n\nC**********************************************************************\n\n CONTAINS\n \n\n SUBROUTINE DEGRADE_MAP( JDATE, JTIME )\nC**********************************************************************\nC\nC Function: Determine CGRID indices used in DEGRADE routine.\nC Check decay and degradation rates for negative values.\nC\nC CALLED BY: INIT_DEGRADE\nC\nC**********************************************************************\n\n USE RXNS_DATA\n#ifdef mpas\n use util_module, only : index1, upcase\n#endif\n\n IMPLICIT NONE\n\nC.....INCLUDES:\n\n\nC.....ARGUMENTS:\n\n INTEGER, INTENT( IN ) :: JDATE ! current model date , coded YYYYDDD\n INTEGER, INTENT( IN ) :: JTIME ! current model time , coded HHMMSS\n\nC.....PARAMETERS:\n\n REAL(8), PARAMETER :: TEMP_298K = 298.15 ! K\n\nC.....LOCAL VARIABLES:\n\n CHARACTER( 16 ) :: PNAME = 'DEGRADE_MAP ' ! name of routine\n CHARACTER( 16 ) :: EMTPTY\n CHARACTER( 16 ) :: WNAME, XNAME ! SCRATCH variables\n CHARACTER( 16 ) :: VNAME( N_PROCESSES+1 ) ! SCRATCH variable\n CHARACTER( 128 ) :: XMSG = 'FATAL ERROR in DEGRADE_SETUP'\n\n INTEGER :: MARKER, N, M ! indexes\n INTEGER :: I, J, K, L ! loop counters\n INTEGER :: LEN_NAME ! number of nonblank characters in species name\n INTEGER :: ICOUNT \n \n REAL(8), PARAMETER :: INV_T298K = 1.0D0 / TEMP_298K ! K^-1\n\n LOGICAL, SAVE :: INITIALIZED = .FALSE.\n\nC.....EXTERNAL FUNCTIONS:\n\nC**********************************************************************\n\n IF( INITIALIZED )RETURN\n \n INITIALIZED = .FALSE.\nC..arrays to store indices to CGRID\n\n ALLOCATE( RXTANT_MAP ( N_REACT ) )\n ALLOCATE( DEGRADE_INDEX( N_REACT ) )\n ALLOCATE( PROD_MAP ( N_PROCESSES, N_REACT ) )\n ALLOCATE( RAD_MAP ( N_BI_LOSS + N_LANHIN_LOSS, N_REACT ) )\n ALLOCATE( RAD2_MAP ( 2, N_TRI_LOSS, N_REACT ) )\n ALLOCATE( PHOTO_MAP ( N_PHOTO_LOSS, N_REACT ) )\n\n ALLOCATE( RATE_YIELD( N_PROCESSES, N_REACT ) )\n\nC..Initialize maps\n\n RXTANT_MAP = -1\n DEGRADE_INDEX = -1\n RAD_MAP = -1\n RAD2_MAP = -1\n PROD_MAP = -1\n PHOTO_MAP = -1\n\n RATE_YIELD = 1.0D0\n\nC..save number of photolysis rates in mechanism\n\n N_PHOTO_TAB = NPHOTAB\n\nC..Quality control on pairs of Reactant and Products\n\n WRITE( LOGDEV,* ) 'Comments on Species in degradation routines'\n\n N_REACT_FOUND = 0\n\n LOOP_REACT : DO I = 1, N_REACT\n\n VNAME( 1 ) = REACT( I )\n \n\n VNAME( UNI_START+1 : UNI_STOP+1 ) = UNI_PROD ( 1:N_UNI_LOSS, I )\n VNAME( BI_START+1 : BI_STOP+1 ) = BI_PROD ( 1:N_BI_LOSS, I )\n VNAME( TRI_START+1 : TRI_STOP+1 ) = TRI_PROD ( 1:N_TRI_LOSS, I )\n VNAME( PHOTO_START+1:PHOTO_STOP+1 ) = PHOTO_PROD( 1:N_PHOTO_LOSS, I )\n VNAME( LANHIN_START+1:LANHIN_STOP+1 ) = LH_PROD ( 1:N_LANHIN_LOSS, I )\n\n RATE_YIELD( UNI_START:UNI_STOP, I ) = UNI_YIELD( 1:N_UNI_LOSS, I )\n RATE_YIELD( BI_START:BI_STOP, I ) = BI_YIELD ( 1:N_BI_LOSS, I )\n RATE_YIELD( TRI_START:TRI_STOP, I ) = TRI_YIELD( 1:N_TRI_LOSS, I )\n RATE_YIELD( PHOTO_START:PHOTO_STOP, I ) = PHOTO_YIELD( 1:N_PHOTO_LOSS, I )\n RATE_YIELD( LANHIN_START:LANHIN_STOP, I ) = LH_YIELD( 1:N_LANHIN_LOSS, I )\n\n\n CALL UPCASE( VNAME( 1 ) )\n\n LEN_NAME = LEN_TRIM( VNAME( 1 ) )\n\n IF ( LEN_NAME < 1 ) THEN\n WRITE( LOGDEV,* ) 'A Reactant has no name.'\n & // ' Check file degrade module'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT3 )\n ENDIF\n \n DO K = 1, N_REACT\n\n WNAME = REACT( K )\n CALL UPCASE( WNAME )\n \n DO J = 2, N_PROCESSES+1\n XNAME = VNAME( J ) \n IF( TRIM( WNAME ) == TRIM( XNAME ) )THEN\n WRITE( XMSG,* ) 'ERROR: ',\n & TRIM( VNAME( 1 ) ), ' is a destroyed and produced.'\n & // ' The property is not allowed because it'\n & // ' brakes linear assumptions used.'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT3 )\n END IF\n END DO \n \n END DO\n\n DO K = 1, N_BI_LOSS\n IF ( VNAME( 1 ) == BICAUSE( K, I ) ) THEN\n WRITE( XMSG,* ) 'ERROR: ',\n & TRIM( VNAME( 1 ) ), ' has same name'\n & // ' as a species causing its bimolecular loss.'\n & // ' This breaks linear assumptions used.'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT3 )\n ENDIF\n ENDDO\n\n DO K = 1, N_TRI_LOSS\n IF ( VNAME( 1 ) == TRICAUSE( 1, K, I ) .OR.\n & VNAME( 1 ) == TRICAUSE( 2, K, I ) ) THEN\n WRITE( XMSG,* ) 'ERROR: ',\n & TRIM( VNAME( 1 ) ), ' has same name as'\n & // ' a species causing its trimolecular loss.'\n & // ' This breaks linear assumptions used.'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT3 )\n ENDIF\n ENDDO\n\n DO K = 1, N_LANHIN_LOSS\n IF ( VNAME( 1 ) == LHCAUSE( K, I ) ) THEN\n WRITE( XMSG,* ) 'ERROR: ',\n & VNAME( 1 )( 1:LEN_NAME ), ' has'\n & // ' same name as a species causing its Langmuir'\n & // '-Hinshwood loss. This breaks linear assumptions used. '\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT3 )\n ENDIF\n ENDDO\n\n\n\nC..Set up indices that point to concentrations in CGRID.\n\n DO 20 J = 1, N_PROCESSES+1\n\n WNAME = VNAME( J ) ! note that reactant occupies VNAME(1)\n LEN_NAME = LEN_TRIM( WNAME )\n CALL UPCASE( WNAME )\n\n IF ( LEN_NAME > 0 ) THEN ! search gas species for index\n N = INDEX1( WNAME, N_GC_SPC, GC_SPC )\n MARKER = GC_STRT\n\n IF ( N == 0 ) THEN ! search aerosol them non-reactive species for index\n\n N = INDEX1( WNAME, N_AE_SPC, AE_SPC )\n MARKER = AE_STRT\n IF ( N == 0 ) THEN\n N = INDEX1( WNAME, N_NR_SPC, NR_SPC )\n MARKER = NR_STRT\n IF ( N == 0 ) THEN\n#ifdef verbose_gas\n WRITE( LOGDEV,'(a)' ) TRIM( WNAME ), ' is not '\n & // 'in gas or nonreactive species table.'\n & // 'its loss processes not calculated '\n#endif \n RXTANT_MAP( I ) = -1\n CYCLE\n ENDIF\n ENDIF\n\n ENDIF\n \n N_REACT_FOUND = N_REACT_FOUND + 1\n ELSE\n VNAME( J ) = 'NONE'\n CYCLE\n ENDIF\n\nC..write degrade data table\n\n IF ( N_REACT_FOUND == 1 ) THEN\n WRITE( LOGDEV,* ) 'TABLE on Degradation Simulated.'\n WRITE( LOGDEV,* ) 'Note: Rates use units of cm, sec, and molecules.'\n WRITE( LOGDEV,* )\n WRITE( LOGDEV,1600 )\n ENDIF\n\nC..set map values\n\n IF ( J < 2 ) THEN\n DEGRADE_INDEX( N_REACT_FOUND ) = I\n RXTANT_MAP ( I ) = N + MARKER - 1\n ELSE\n PROD_MAP( J-1, I ) = N + MARKER - 1\n ENDIF\n\n20 CONTINUE\n\nC..cycle N_REACT LOOP\n\n IF( RXTANT_MAP( I ) .LT. 1 )CYCLE LOOP_REACT\n\nC..check UNIMOLECULAR decay rates\n\n K = 0\n\n DO J = 1, N_UNI_LOSS\n\n IF ( UNIRATE( J, I ) < 0.0 ) THEN\n WRITE( LOGDEV,* ) 'Species ', REACT( I ), ' has a'\n & // 'negative rate for unimolecular decay.'\n & // 'Check degrade module'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT3 )\n ENDIF\n\n WRITE( LOGDEV,1100 ) VNAME( 1 ), RXTANT_MAP( I ),\n & ' Unimolecular ',\n & UNIRATE( J, I ) * TEMP_298K**UNI_TEXP( J, I )\n & * EXP( -UNI_ACT( J, I ) * INV_T298K ),\n & VNAME( J+1 ), PROD_MAP( J, I )\n\n ENDDO\n\n K = K + N_UNI_LOSS\n\nC..locating degradation causes in CGRID\n\n DO 40 J = 1, N_BI_LOSS\n\nC..checking degradation rates\n\n IF ( BIRATE( J, I ) < 0.0 ) THEN\n WRITE( LOGDEV,* ) 'Species ', REACT( I ), 'has a negative'\n & // ' rate for degradation by ', WNAME( 1:LEN_NAME ), '.'\n & // ' Check degrade module.'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT3 )\n ENDIF\n\n WNAME = BICAUSE( J, I )\n\n CALL UPCASE( WNAME )\n\n LEN_NAME = LEN_TRIM( WNAME )\n\n IF ( LEN_NAME < 1 ) CYCLE\n MARKER = 0\n\n IF ( WNAME == 'DENSITY' .OR. WNAME == 'M' ) THEN ! special case rate proportion to air density\n RAD_MAP( J, I ) = 9999\n ENDIF\n\n IF ( WNAME == 'N2' ) THEN ! special case rate proportion to molecular nitrogen\n RAD_MAP( J, I ) = 9998\n ENDIF\n\n IF ( WNAME == 'O2' ) THEN ! special case rate proportion to molecular oxygen\n RAD_MAP( J, I ) = 9997\n ENDIF\n\n IF ( WNAME == 'CH4' ) THEN ! special case rate proportion to methane\n RAD_MAP( J, I ) = 9996\n ENDIF\n\n IF ( WNAME == 'H2' ) THEN ! special case rate proportion to hydrogen\n RAD_MAP( J, I ) = 9995\n ENDIF\n\n IF ( WNAME == 'H2O' ) THEN ! special case rate proportion to water vapor\n RAD_MAP( J, I ) = 9994\n ENDIF\n\n IF ( RAD_MAP( J, I ) < 0 ) THEN ! search model species\n N = INDEX1( WNAME, N_GC_SPC, GC_SPC ) ! gas species for index\n IF ( N == 0 ) THEN ! non-reactive species\n N = INDEX1( WNAME, N_NR_SPC, NR_SPC )\n IF ( N > 0 ) THEN\n MARKER = NR_STRT\n END IF\n ELSE \n MARKER = GC_STRT\n ENDIF \n RAD_MAP( J, I ) = N + MARKER - 1\n END IF \n\n IF ( RAD_MAP( J, I ) > 0 ) THEN\n WRITE( LOGDEV,1200 ) VNAME( 1 ), RXTANT_MAP( I ),\n & ' Bimolecular ', WNAME, RAD_MAP( J, I ),\n & BIRATE( J, I ) * TEMP_298K**BI_TEXP( J, I )\n & * EXP( -BI_ACT( J, I ) * INV_T298K ),\n & VNAME( J+K+1 ), PROD_MAP( J+K, I )\n ELSE\n WRITE( LOGDEV,1200 ) VNAME( 1 ), RXTANT_MAP( I ),\n & 'NOT INCLUDED', WNAME, RAD_MAP( J, I ),\n & BIRATE( J,I ) * TEMP_298K**BI_TEXP( J, I )\n & * EXP( -BI_ACT( J, I ) * INV_T298K ),\n & VNAME( J+K+1 ), PROD_MAP( J+K, I )\n END IF\n\n40 CONTINUE\n\n K = K + N_BI_LOSS\n\n DO 50 J = 1, N_TRI_LOSS\n\nC..checking degradation rates\n\n IF ( TRIRATE( J, I ) < 0.0D0 ) THEN\n WRITE( LOGDEV,* ) 'Species ', REACT( I ), 'has a negative'\n & // ' rate for trimolecular degradation.'\n & // ' Check degrade module.'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT3 )\n ENDIF\n\n ICOUNT = 0\n \n DO 60 L = 1, 2\n\n WNAME = TRICAUSE( L, J, I )\n\n CALL UPCASE( WNAME )\n\n LEN_NAME = LEN_TRIM( WNAME )\n \n IF ( LEN_NAME < 1 ) CYCLE\n\n ICOUNT = ICOUNT + 1\n MARKER = 0\n\n IF ( WNAME == 'DENSITY' .OR. WNAME == 'M' ) THEN ! special case rate proportion to air density\n RAD2_MAP( L, J, I ) = 9999\n ENDIF\n \n IF ( WNAME == 'N2' ) THEN ! special case rate proportion to molecular nitrogen\n RAD2_MAP( L, J, I ) = 9998\n ENDIF\n \n IF ( WNAME == 'O2' ) THEN ! special case rate proportion to molecular oxygen\n RAD2_MAP( L, J, I ) = 9997\n ENDIF\n \n IF ( WNAME == 'CH4' ) THEN ! special case rate proportion to methane\n RAD2_MAP( L, J, I ) = 9996\n ENDIF\n \n IF ( WNAME == 'H2' ) THEN ! special case rate proportion to hydrogen\n RAD2_MAP( L, J, I ) = 9995\n ENDIF\n \n IF ( WNAME == 'H2O' ) THEN ! special case rate proportion to water vapor\n RAD2_MAP( L, J, I ) = 9994\n ENDIF\n\n IF ( RAD2_MAP( L, J, I ) < 0 ) THEN ! search model species\n N = INDEX1( WNAME, N_GC_SPC, GC_SPC ) ! gas species for index\n IF ( N == 0 ) THEN ! non-reactive species\n N = INDEX1( WNAME, N_NR_SPC, NR_SPC )\n IF ( N > 0 ) THEN\n MARKER = NR_STRT\n END IF\n ELSE \n MARKER = GC_STRT\n ENDIF \n RAD2_MAP( L, J, I ) = N + MARKER - 1\n END IF \n\n60 CONTINUE\n\n IF ( RAD2_MAP( 1, J, I ) > 0 .AND. RAD2_MAP( 2, J, I ) > 0 ) THEN\n WRITE( LOGDEV,1300 ) VNAME( 1 ), RXTANT_MAP( I ),\n & ' Trimolecular ', TRICAUSE( 1, J, I ), RAD2_MAP( 1, J, I ),\n & TRICAUSE( 2, J, I ), RAD2_MAP( 2, J, I ),\n & TRIRATE( J, I ) * TEMP_298K**TRI_TEXP( J, I )\n & * EXP( -TRI_ACT( J, I ) * INV_T298K ),\n & VNAME( J+K+1 ), PROD_MAP( J+K, I )\n ELSE IF ( ICOUNT .GT. 0 ) THEN\n WRITE( LOGDEV,1300 ) VNAME( 1 ), RXTANT_MAP( I ),\n & ' NOT INCLUDED ', TRICAUSE( 1, J, I ), RAD2_MAP( 1, J, I ),\n & TRICAUSE( 2, J, I ), RAD2_MAP( 2, J, I ),\n & TRIRATE( J, I ) * TEMP_298K**TRI_TEXP( J, I )\n & * EXP( -TRI_ACT( J, I ) * INV_T298K ),\n & VNAME( J+K+1 ), PROD_MAP( J+K, I )\n ENDIF\n\n50 CONTINUE\n\n LEN_NAME = LEN_TRIM( REACT( I ) )\n\n K = K + N_TRI_LOSS\n\n DO 70 J = 1, N_PHOTO_LOSS\n\n WNAME = PHOTO_NAME( J, I )\n\n CALL UPCASE( WNAME )\n\n N = INDEX1( WNAME, NPHOTAB, PHOTAB )\n\n IF ( LEN_TRIM( WNAME ) < 2 ) CYCLE\n\n IF ( N < 1 ) THEN\n WRITE( LOGDEV,* ) 'Photolysis rate, ', WNAME, ' for ',\n & REACT( I )( 1:LEN_NAME ),\n & 'is not JTABLE and is not included. '\n CYCLE\n ENDIF\n\n PHOTO_MAP( J, I ) = N\n\n WRITE( LOGDEV,1400 ) VNAME( 1 ), RXTANT_MAP( I ),\n & ' Photolysis ', PHOTAB( N ), ' ', 'times', ' ',\n & A_PHOTO( J, I ),\n & VNAME( J+K+1 ), PROD_MAP( J+K, I )\n\n70 CONTINUE\n\n K = K + N_PHOTO_LOSS\n\nC..locating degradation causes in CGRID\n\n DO 80 J = 1, N_LANHIN_LOSS\n\nC..checking degradation rates\n\n IF ( LHRATE( J, I ) < 0.0 ) THEN\n WRITE( LOGDEV,* ) 'Species ', REACT( I ), 'has a negative'\n & // ' rate for degradation by ', WNAME( 1:LEN_NAME ), '.'\n & // ' Check degrade module.'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT3 )\n ENDIF\n\n WNAME = LHCAUSE( J, I )\n\n CALL UPCASE( WNAME )\n\n LEN_NAME = LEN_TRIM( WNAME )\n\n IF ( LEN_NAME < 1 ) CYCLE\n\n MARKER = 0\n IF ( WNAME == 'DENSITY' .OR. WNAME == 'M' ) THEN ! special case rate proportion to air density\n RAD_MAP( J + N_BI_LOSS, I ) = 9999\n ENDIF\n\n IF ( WNAME == 'N2' ) THEN ! special case rate proportion to molecular nitrogen\n RAD_MAP( J + N_BI_LOSS, I ) = 9998\n ENDIF\n\n IF ( WNAME == 'O2' ) THEN ! special case rate proportion to molecular oxygen\n RAD_MAP( J + N_BI_LOSS, I ) = 9997\n ENDIF\n\n IF ( WNAME == 'CH4' ) THEN ! special case rate proportion to methane\n RAD_MAP( J + N_BI_LOSS, I ) = 9996\n ENDIF\n\n IF ( WNAME == 'H2' ) THEN ! special case rate proportion to hydrogen\n RAD_MAP( J + N_BI_LOSS, I ) = 9995\n ENDIF\n\n IF ( WNAME == 'H2O' ) THEN ! special case rate proportion to water vapor\n RAD_MAP( J + N_BI_LOSS, I ) = 9994\n ENDIF\n\n IF ( RAD_MAP( J + N_BI_LOSS, I ) < 0 ) THEN ! search model species\n N = INDEX1( WNAME, N_GC_SPC, GC_SPC ) ! gas species for index\n IF ( N == 0 ) THEN ! non-reactive species\n N = INDEX1( WNAME, N_NR_SPC, NR_SPC )\n IF ( N > 0 ) THEN\n MARKER = NR_STRT\n END IF\n ELSE \n MARKER = GC_STRT\n ENDIF \n RAD_MAP( J + N_BI_LOSS, I ) = N + MARKER - 1\n END IF \n\n IF ( RAD_MAP( J + N_BI_LOSS, I ) > 0 ) THEN\n WRITE( LOGDEV,1200 ) VNAME( 1 ), RXTANT_MAP( I ),\n & ' Langm-Hinsh ', WNAME, RAD_MAP( J + N_BI_LOSS, I ),\n & LHRATE( J, I ) * LH_EQU( J, I ),\n & VNAME( J+K+1 ), PROD_MAP( J+K, I )\n ELSE\n WRITE( LOGDEV,1200 ) VNAME( 1 ), RXTANT_MAP( I ),\n & 'NOT INCLUDED', WNAME, RAD_MAP( J + N_BI_LOSS, I ),\n & LHRATE( J, I ) * LH_EQU( J, I ),\n & VNAME( J+K+1 ), PROD_MAP( J+K, I )\n ENDIF\n\n80 CONTINUE\n\n END DO LOOP_REACT\n\n IF( N_REACT_FOUND .LT. 1 )RETURN\n\n WRITE( LOGDEV,'(A)' ) 'Note: If INDEX of CAUSE A OR B equals -1, the '\n & // 'process is dropped from degradation '\n & // 'calculation.'\n\n WRITE( LOGDEV,* ) BLANK\n\n#ifdef isam \n CALL SA_DEGRADE_INIT\n#endif\n\n1000 FORMAT(A20,1X,A5,1X,A20,1X,2(A20,1X,A5,1X),A12,1X,A20,1X,A5)\n1100 FORMAT(A20,1X,I5,1X,A20,1X,2(21X,6X),ES12.4,1X,A20,1X,I5)\n1200 FORMAT(A20,1X,I5,1X,A20,1X,A20,1X,I5,1X,21X,6X,ES12.4,1X,A20,1X,I5)\n1300 FORMAT(A20,1X,I5,1X,A20,1X,2(A20,1X,I5,1X),ES12.4,1X,A20,1X,I5)\n1400 FORMAT(A20,1X,I5,1X,A20,1X,2(A20,1X,A5,1X),ES12.4,1X,A20,1X,I5)\n1600 FORMAT(' DEGRADED ',' Index',\n & ' Process ',' Cause A ',\n & ' Index', ' Cause B ',' Index',\n & ' Rate at 298K ', ' Product ',\n & ' Index')\n\n RETURN\n\n END SUBROUTINE DEGRADE_MAP\n\n#ifdef isam\n\n SUBROUTINE SA_DEGRADE_INIT\n\n USE SA_DEFN\nC Initialize arrays and maps that relate ISAM species to degaded species\nC\nC Called by DEGRADE_MAP\n\n IMPLICIT NONE\n\nC..Includes: None\n \n CHARACTER( 16 ), PARAMETER :: PNAME = 'SA_DEGRAGE_INIT' ! Program name\n \n INTEGER :: I, J, RXN, IP, IL \n INTEGER :: IOSTAT\n INTEGER :: C, L, R, S ! Loop indices\n INTEGER :: SPC ! array index\n INTEGER :: IOS\n\n\n CHARACTER( 132 ) :: MSG ! Message text\n! temporary arrays to set maps between isam to chemistry species\n INTEGER, ALLOCATABLE :: ISAM_SPC_IDX ( : )\n INTEGER, ALLOCATABLE :: ISAM_2_DEGRAD( : )\n INTEGER, ALLOCATABLE :: REACT_INDEX ( : )\n LOGICAL, ALLOCATABLE :: NOT_DEGRADED ( : )\n\n CHARACTER(16), ALLOCATABLE :: FIND_IN_ISAM( : )\n\n \nC=======================================================\n\n \n ALLOCATE( ISAM_2_DEGRAD( NSPC_SA + 1 ) )\n ALLOCATE( ISAM_SPC_IDX( NSPC_SA + 1 ) )\n ALLOCATE( REACT_INDEX( NSPC_SA + 1 ) )\n ALLOCATE( NOT_DEGRADED( NSPC_SA + 1 ) )\n ALLOCATE( FIND_IN_ISAM( NSPC_SA + 1 ) )\n\n! Identify species index in ISAM array\n ISAM_SPC_IDX = 0\n ISAM_2_DEGRAD = 0\n REACT_INDEX = 0\n NOT_DEGRADED = .TRUE.\n FIND_IN_ISAM = ' '\n \n DO S = 1, NSPC_SA\n FIND_IN_ISAM( S ) = ISAM_SPEC( S,OTHRTAG )\n ISAM_SPC_IDX( S ) = S\n END DO\n\n! find tagged species in REACT array \n SPC = NSPC_SA\n ISAM_DEGRADED_SPC = 0\n DO S = 1, NSPC_SA\n R = INDEX1( TRIM(FIND_IN_ISAM( S )), N_REACT, REACT )\n IF ( R .LE. 0 ) THEN\n MSG = 'ISAM SPECIES: ' \n & // TRIM( FIND_IN_ISAM( S ) ) \n & // ' not found in REACT array '\n! CALL M3WARN( PNAME, 0, 0, MSG )\n CYCLE\n END IF\n IF( RXTANT_MAP( R ) .LT. 1 )CYCLE\n ISAM_DEGRADED_SPC = ISAM_DEGRADED_SPC + 1 \n REACT_INDEX ( S ) = R\n ISAM_2_DEGRAD( S ) = RXTANT_MAP( R )\n NOT_DEGRADED ( S ) = .FALSE.\n END DO\n \n IF( ANY( .NOT. NOT_DEGRADED ) )THEN\nC..Save pointer for isam species found in chemistry species\n ALLOCATE( CELL_ISAM( NTAG_SA,ISAM_DEGRADED_SPC ) )\n CELL_ISAM = 0.0D0\n ALLOCATE( ISAM_TO_DEGRADED( ISAM_DEGRADED_SPC ) )\n ALLOCATE( ISAM_DEGRADE_MAP( ISAM_DEGRADED_SPC ) )\n ALLOCATE( ISAM_TO_REACTANT( ISAM_DEGRADED_SPC ) )\n ALLOCATE( ISAM_DEGRADED ( ISAM_DEGRADED_SPC ) )\n ISAM_TO_DEGRADED = -1\n ISAM_DEGRADE_MAP = -1\n ISAM_DEGRADED = \"XundefinedX\"\n \n WRITE(LOGDEV,'(/A)')'Below isam species have a linear decay based on photochemistry '\n WRITE(LOGDEV,'(\"IDX, ISAM_SPC, IDX, DEGRADE_SPC \")')\n L = 0 \n DO S = 1, NSPC_SA\n IF ( .NOT. NOT_DEGRADED( S ) ) THEN\n L = L + 1\n C = ISAM_SPC_IDX ( S )\n R = ISAM_2_DEGRAD( S )\n SPC = REACT_INDEX( S )\n ISAM_DEGRADE_MAP( L ) = ISAM_SPC_IDX( S )\n ISAM_TO_DEGRADED( L ) = ISAM_2_DEGRAD( S )\n ISAM_TO_REACTANT( L ) = REACT_INDEX( S ) \n ISAM_DEGRADED ( L ) = REACT( SPC )\n WRITE(LOGDEV,'(I3,1X,A16,1x,I3,1X,A16)') \n & C, FIND_IN_ISAM( S ), R, REACT( SPC )\n END IF\n END DO\n IF( L .NE. ISAM_DEGRADED_SPC )THEN\n MSG = 'ERROR mapping isam to chemistry species: inconsistent number found'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n ELSE\n MSG = 'NO ISAM species are degraded '\n CALL M3WARN ( PNAME, 0, 0, MSG )\n END IF\n L = 0\n DO S = 1, NSPC_SA\n IF( NOT_DEGRADED( S ) )THEN\n C = ISAM_SPC_IDX( S )\n IF( C .LE. 0 )CYCLE\n L = L + 1\n IF( L .LT. 2 )THEN\n WRITE(LOGDEV,'(/A)')'Below isam species DO NOT have a linear decay based on photochemistry'\n WRITE(LOGDEV,'(\"SPC ISAM_SPC\")')\n END IF \n WRITE(LOGDEV,'(I3,1X,A16,1x,I3,A16)') C, FIND_IN_ISAM( S )\n END IF\n END DO\n\n DEALLOCATE( ISAM_2_DEGRAD )\n DEALLOCATE( ISAM_SPC_IDX )\n DEALLOCATE( NOT_DEGRADED )\n \n END SUBROUTINE SA_DEGRADE_INIT\n SUBROUTINE SA_DEGRADE_EXTRACT( COL, ROW, LAY, DENS )\n \n USE SA_DEFN \n\n IMPLICIT NONE\n\n!..Arguments:\n INTEGER, INTENT( IN ) :: COL ! cell column index\n INTEGER, INTENT( IN ) :: ROW ! cell row index \n INTEGER, INTENT( IN ) :: LAY ! cell layer index \n REAL, INTENT( IN ) :: DENS ! air mass density, kg/m3\n\nC..Includes: None\n\n!..Local:\n CHARACTER( 32 ), PARAMETER :: PNAME = 'SA_DEGRAGE_EXTRACT' ! Program name\n\n REAL( 8 ), PARAMETER :: ONE = 1.0D0\n REAL( 8 ), PARAMETER :: ZERO = 0.0D0\n\n REAL :: FACTOR2\n REAL( 8 ) :: INV_DENS ! one over air mass density, m3/kg\n\n INTEGER :: JSPC, KTAG\n INTEGER :: SPC, S ! array index\n \n IF( ISAM_DEGRADED_SPC .LT. 1 )RETURN\n \n INV_DENS = REAL( ONE/DENS, 8 )\n \n DO JSPC = 1, ISAM_DEGRADED_SPC\n S = ISAM_TO_DEGRADED( JSPC )\n SPC = ISAM_DEGRADE_MAP( JSPC )\n LOAD_SOLD: DO KTAG = 1, NTAG_SA\n FACTOR2 = ISAM( COL,ROW,LAY,SPC,KTAG )\n CELL_ISAM( KTAG, JSPC ) = REAL( FACTOR2,8 )\n END DO LOAD_SOLD ! ktag loop\n END DO ! loop jspc\n\n END SUBROUTINE SA_DEGRADE_EXTRACT\n SUBROUTINE SA_DEGRADE_UPLOAD( COL, ROW, LAY, DENS )\n \n USE SA_DEFN \n \n IMPLICIT NONE\n\n!..Arguments:\n INTEGER, INTENT( IN ) :: COL ! cell column index\n INTEGER, INTENT( IN ) :: ROW ! cell row index \n INTEGER, INTENT( IN ) :: LAY ! cell layer index \n REAL, INTENT( IN ) :: DENS ! air mass density, kg/m3\n\nC..Includes: None\n\n!..Local:\n CHARACTER( 32 ), PARAMETER :: PNAME = 'SA_DEGRAGE_UPLOAD' ! Program name\n \n REAL( 8 ), PARAMETER :: ONE = 1.0D0\n REAL( 8 ), PARAMETER :: ZERO = 0.0D0\n \n REAL :: FACTOR2\n REAL( 8 ) :: TOTAL, FACTOR1, FACTOR3, FACTOR\n! REAL( 8 ) :: INV_DENS ! one over air mass density, m3/kg\n \n INTEGER :: JSPC, KTAG, I_RAD, I_RXT\n INTEGER :: S, SPC ! array index\n \n IF( ISAM_DEGRADED_SPC .LT. 1 )RETURN\n \n#ifdef verbose_isam\n IF( DEG_LAY .EQ. 1 .AND. DEG_ROW .EQ. 1 .AND. DEG_COL .EQ. 1 )THEN\n WRITE(LOGDEV,'(6x,A)')'SA_DEGRADE_UPLOAD'\n WRITE(LOGDEV,'(//,6X,A16,(1X,A12),1X,A18,2(1X,A18))')'isam_degraded', 'factor', 'react',\n & 'INIT_CONC','FINAL_CONC'\n END IF\n#endif\n DO JSPC = 1, ISAM_DEGRADED_SPC\n S = ISAM_TO_DEGRADED( JSPC )\n SPC = ISAM_DEGRADE_MAP( JSPC )\n#ifdef verbose_isam\n IF( DEG_LAY .EQ. 1 .AND. DEG_ROW .EQ. 1 .AND. DEG_COL .EQ. 1)THEN \n I_RXT = ISAM_TO_DEGRADED( JSPC )\n I_RAD = ISAM_TO_REACTANT( JSPC )\n FACTOR2 = SUM(ISAM( COL,ROW,LAY,SPC,1:NTAG_SA ))\n FACTOR3 = SUM(CELL_ISAM( 1:NTAG_SA,JSPC ))\n FACTOR = 1.0 + (FACTOR3-FACTOR2)/MAX(FACTOR2,1.0E-30)\n WRITE(LOGDEV,'(6X,A16,1X,ES18.10,1X,A16,2(1X,ES18.10))')ISAM_DEGRADED( JSPC ), FACTOR, REACT( I_RAD ),\n & FACTOR2, FACTOR3\n END IF\n#endif \n LOAD_ISAM: DO KTAG = 1, NTAG_SA\n FACTOR1 = CELL_ISAM( KTAG,JSPC )\n ISAM( COL,ROW,LAY,SPC,KTAG ) = REAL( FACTOR1 )\n END DO LOAD_ISAM ! ktag loop\n END DO ! loop jspc\n\n END SUBROUTINE SA_DEGRADE_UPLOAD\n#endif\n \n END MODULE DEGRADE_SETUP_TOX\n\n" }, { "path": "CCTM/src/spcs/cgrid_spcs_icl/CGRID_SPCS.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nc:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n module cgrid_spcs\n\nc CGRID gas chem, aerosol, non-reactive, and tracer species definitions\nc based on Fortran include file specifications\nc Revision History: Jeff Young 31 Aug 09: created\nC 16 Feb 11 S.Roselle: replaced I/O API include files with UTILIO_DEFN\nC 07 Jul 14 B.Hutzell: replaced mechanism include file(s) with fortran module\nc-----------------------------------------------------------------------\n\n implicit none\n\n include SUBST_GC_SPC ! gas chemistry species table\n include SUBST_GC_EMIS\n include SUBST_GC_ICBC\n include SUBST_GC_TRNS\n include SUBST_GC_DDEP\n include SUBST_GC_DEPV\n include SUBST_GC_CONC\n include SUBST_GC_G2AE\n include SUBST_GC_G2AQ\n include SUBST_GC_SCAV\n include SUBST_GC_WDEP\n\n include SUBST_AE_SPC ! aerosol species table\n include SUBST_AE_EMIS\n include SUBST_AE_ICBC\n include SUBST_AE_TRNS\n include SUBST_AE_DDEP\n include SUBST_AE_DEPV\n include SUBST_AE_CONC\n include SUBST_AE_A2AQ\n include SUBST_AE_SCAV\n include SUBST_AE_WDEP\n\n include SUBST_NR_SPC ! non-reactive species table\n include SUBST_NR_EMIS\n include SUBST_NR_ICBC\n include SUBST_NR_TRNS\n include SUBST_NR_DDEP\n include SUBST_NR_DEPV\n include SUBST_NR_N2AE\n include SUBST_NR_CONC\n include SUBST_NR_N2AQ\n include SUBST_NR_SCAV\n include SUBST_NR_WDEP\n\n include SUBST_TR_SPC ! tracer species table\n include SUBST_TR_EMIS\n include SUBST_TR_ICBC\n include SUBST_TR_DIFF\n include SUBST_TR_ADV\n include SUBST_TR_DDEP\n include SUBST_TR_DEPV\n include SUBST_TR_T2AQ\n include SUBST_TR_SCAV\n include SUBST_TR_WDEP\n\n integer, save :: nspcsd ! Number of species in CGRID\n integer, save :: gc_strt ! Starting index of gas chemistry species\n integer, save :: gc_fini ! Ending index of gas chemistry species\n integer, save :: ae_strt ! Starting index of aerosol species\n integer, save :: ae_fini ! Ending index of aerosol species\n integer, save :: nr_strt ! Starting index of non-reactive species\n integer, save :: nr_fini ! Ending index of non-reactive species\n integer, save :: tr_strt ! Starting index of tracer species\n integer, save :: tr_fini ! Ending index of tracer species\n\n contains\n\nc init routine to set the CGRID species locations\n\n function cgrid_spcs_init() result ( success )\n use UTILIO_DEFN\n use RXNS_DATA ! chemical mechanism data\n \n implicit none\n\n\n logical success\n logical, save :: firstime = .true.\n\nc----------------------------------------------------------------------------------------\n success = .true.\n\nc intialize module public data\n\n if ( firstime ) then\n firstime = .false.\n\n nspcsd = n_gc_spcd + n_ae_spc + n_nr_spc + n_tr_spc\n\n gc_strt = 1 ! always, even if n_gc_spcs = 0\n gc_fini = gc_strt + n_gc_spc - 1\n ae_strt = n_gc_spcd + 1\n ae_fini = ae_strt + n_ae_spc - 1\n nr_strt = n_gc_spcd + n_ae_spc + 1\n nr_fini = nr_strt + n_nr_spc - 1\n tr_strt = n_gc_spcd + n_ae_spc + n_nr_spc + 1\n tr_fini = tr_strt + n_tr_spc - 1\n\n end if\n\n end function cgrid_spcs_init\n\n end module cgrid_spcs\n" }, { "path": "CCTM/src/spcs/cgrid_spcs_nml/CGRID_SPCS.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nc:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n module cgrid_spcs\n\nc CGRID gas chem, aerosol, non-reactive, and tracer species definitions\nc based on namelist specifications\nc Revision History:\nc Jeff Young 31 Aug 09: created\nc Bill Hutzell 8 Oct 10: added Gas Chemistry consistency check\nC Shawn Roselle 16 Feb 11: replaced I/O API include files with UTILIO_DEFN\nC 07 Jul 14 B.Hutzell: replaced mechanism include file(s) with fortran module\nC 21 Apr 16 D.Luecken: increased spc_dim to 1000\nC 07 Mar 2019 F. Sidi: Split up ICBC for CMAQ species namelist \nC 10 June 2021 G. Sarwar: Replacd CB6R3M_AE7_AQ with CB6R5M_AE7_AQ\nc-----------------------------------------------------------------------\n USE RUNTIME_VARS\n Use rxns_data, only: mechname ! chemical mechanism data\n#ifdef mpas\n use util_module, only : junit\n#endif\n\n implicit none\n\nc main CGRID table\n integer, save :: n_gc_spc = 0, n_ae_spc = 0, n_nr_spc = 0, n_tr_spc = 0\n character( 16 ), allocatable, save :: gc_spc( : ), ae_spc( : ), nr_spc( : ), tr_spc( : )\n real, allocatable, save :: gc_molwt( : ), ae_molwt( : ), nr_molwt( : ), tr_molwt( : )\n\n integer, save :: n_gc_spcd = 0\n\nc Starting and ending index of gas chemistry species in CGRID\n integer, save :: gc_strt = 1\n integer, save :: gc_fini = 0\n\nc Starting and ending index of aerosol species in CGRID\n integer, save :: ae_strt = 0\n integer, save :: ae_fini = 0\n\nc Starting and ending index of non-reactive species in CGRID\n integer, save :: nr_strt = 0\n integer, save :: nr_fini = 0\n\nc Starting and ending index of tracer species in CGRID\n integer, save :: tr_strt = 0\n integer, save :: tr_fini = 0\n\nc number of species in CGRID\n integer, save :: nspcsd = 1\n\nc surrogate species\n integer, save :: n_gc_ic = 0, n_ae_ic = 0, n_nr_ic = 0, n_tr_ic = 0,\n & n_gc_bc = 0, n_ae_bc = 0, n_nr_bc = 0, n_tr_bc = 0,\n & n_gc_depv = 0, n_ae_depv = 0, n_nr_depv = 0, n_tr_depv = 0,\n & n_gc_scav = 0, n_ae_scav = 0, n_nr_scav = 0, n_tr_scav = 0,\n & n_gc_g2ae = 0, n_nr_n2ae = 0, n_tr_t2ae = 0,\n & n_gc_g2aq = 0, n_ae_a2aq = 0, n_nr_n2aq = 0, n_tr_t2aq = 0\n integer, save :: n_ae_optics = 0\n character( 16 ), allocatable, save :: gc_ic( : ), ae_ic( : ), nr_ic( : ), tr_ic( : ), \n & gc_bc( : ), ae_bc( : ), nr_bc( : ), tr_bc( : ), \n & gc_depv( : ), ae_depv( : ), nr_depv( : ), tr_depv( : ),\n & gc_scav( : ), ae_scav( : ), nr_scav( : ), tr_scav( : ),\n & gc_g2ae( : ), nr_n2ae( : ), tr_t2ae( : ),\n & gc_g2aq( : ), ae_a2aq( : ), nr_n2aq( : ), tr_t2aq( : )\n character( 16 ), allocatable, save :: ae_optics( : )\n integer, allocatable, save :: gc_ic_map( : ), ae_ic_map( : ), nr_ic_map( : ), tr_ic_map( : ),\n & gc_bc_map( : ), ae_bc_map( : ), nr_bc_map( : ), tr_bc_map( : ), \n & gc_depv_map( : ), ae_depv_map( : ), nr_depv_map( : ), tr_depv_map( : ),\n & gc_scav_map( : ), ae_scav_map( : ), nr_scav_map( : ), tr_scav_map( : ),\n & gc_g2ae_map( : ), nr_n2ae_map( : ), tr_t2ae_map( : ),\n & gc_g2aq_map( : ), ae_a2aq_map( : ), nr_n2aq_map( : ), tr_t2aq_map( : )\n\n real, allocatable, save :: gc_ic_fac( : ), ae_ic_fac( : ), nr_ic_fac( : ), tr_ic_fac( : ),\n & gc_bc_fac( : ), ae_bc_fac( : ), nr_bc_fac( : ), tr_bc_fac( : ),\n & gc_depv_fac( : ), ae_depv_fac( : ), nr_depv_fac( : ), tr_depv_fac( : ),\n & gc_scav_fac( : ), ae_scav_fac( : ), nr_scav_fac( : ), tr_scav_fac( : )\n\nc control species\n integer, save :: n_gc_trns = 0, n_ae_trns = 0, n_nr_trns = 0, n_tr_adv = 0, n_tr_diff = 0,\n & n_gc_ddep = 0, n_ae_ddep = 0, n_nr_ddep = 0, n_tr_ddep = 0,\n & n_gc_wdep = 0, n_ae_wdep = 0, n_nr_wdep = 0, n_tr_wdep = 0,\n & n_gc_conc = 0, n_ae_conc = 0, n_nr_conc = 0, n_tr_conc = 0\n character( 16 ), allocatable, save :: gc_trns( : ), ae_trns( : ), nr_trns( : ), tr_adv( : ), tr_diff( : ),\n & gc_ddep( : ), ae_ddep( : ), nr_ddep( : ), tr_ddep( : ),\n & gc_wdep( : ), ae_wdep( : ), nr_wdep( : ), tr_wdep( : ),\n & gc_conc( : ), ae_conc( : ), nr_conc( : ), tr_conc( : )\n integer, allocatable, save :: gc_trns_map( : ), ae_trns_map( : ), nr_trns_map( : ), tr_adv_map( : ), tr_diff_map( : ),\n & gc_ddep_map( : ), ae_ddep_map( : ), nr_ddep_map( : ), tr_ddep_map( : ),\n & gc_wdep_map( : ), ae_wdep_map( : ), nr_wdep_map( : ), tr_wdep_map( : ),\n & gc_conc_map( : ), ae_conc_map( : ), nr_conc_map( : ), tr_conc_map( : )\n\n LOGICAL :: LTRNS, LDDEP, LWDEP, LCONC, LADVC, LDIFF\n LOGICAL, ALLOCATABLE :: LAIT(:), LACC(:), LCOR(:)\n\n\n INTEGER, SAVE :: N_CGRID_SPC\n INTEGER, SAVE :: N_SPC_WDEP\n INTEGER, SAVE :: N_SPC_DEPV\n INTEGER, SAVE :: RHOJ_LOC\n CHARACTER( 16 ), ALLOCATABLE, SAVE :: CGRID_NAME( : )\n REAL, ALLOCATABLE, SAVE :: CGRID_MW ( : )\n CHARACTER( 16 ), ALLOCATABLE, SAVE :: CGRID_UNITS ( : )\n LOGICAL, ALLOCATABLE, SAVE :: CGRID_MASK_GAS ( : )\n LOGICAL, ALLOCATABLE, SAVE :: CGRID_MASK_AERO( : )\n LOGICAL, ALLOCATABLE, SAVE :: CGRID_MASK_NUM ( : )\n LOGICAL, ALLOCATABLE, SAVE :: CGRID_MASK_SRF ( : )\n LOGICAL, ALLOCATABLE, SAVE :: CGRID_MASK_NR ( : )\n LOGICAL, ALLOCATABLE, SAVE :: CGRID_MASK_TRAC( : )\n CHARACTER( 16 ), ALLOCATABLE, SAVE :: CGRID_CONC_UNIT ( : )\n CHARACTER( 256), ALLOCATABLE, SAVE :: CGRID_CONC_DESC ( : )\n INTEGER, ALLOCATABLE, SAVE :: MAP_DEPVtoCGRID( : )\n INTEGER, ALLOCATABLE, SAVE :: MAP_WDEPtoCGRID( : )\n\n#ifdef mpas\n character( 16 ), allocatable, save :: all_spc( : )\n integer, save :: n_all_spc = 0\n\n integer, allocatable :: indx_mpas(:)\n#endif\n\n type, public :: base_type\n private\n character( 16 ) :: name\n real :: mw\n end type\n type, public :: surr1_type\n private\n character( 16 ) :: name\n integer :: map\n real :: fac\n end type\n type, public :: surr2_type\n private\n character( 16 ) :: name\n integer :: map\n end type\n type, public :: ctrl_type\n private\n character( 16 ) :: name\n integer :: map\n end type\n \n contains\n\nc init routine to allocate the above allocatables\nc !! NO and to populate the allocated arrays from the stnd gc_spc.ext !!! NO\n\n function cgrid_spcs_init() result ( success )\n use UTILIO_DEFN\n use stm_vars\n use cgrid_spcs_types\n\n implicit none\n\n logical success\n integer, save :: dev_gc_nml, dev_ae_nml, dev_nr_nml, dev_tr_nml\n integer i, ios, IGC, IAE, INR, ITR\n character( 1 ), parameter :: bl = ' '\n integer, parameter :: spc_dim = 1000\n logical :: order = .true., found = .true.\n character( 120 ) :: xmsg\n INTEGER :: ISPC, JSPC, IGRID, IWDEP, IDEPV\n\n#ifdef mpas\n integer :: i1, i2, i3, i4 \n#endif\n TYPE (SPECIES_DATA_REG_1), ALLOCATABLE :: GC_SPECIES_DATA(:)\n TYPE (SPECIES_DATA_REG_1), ALLOCATABLE :: NR_SPECIES_DATA(:)\n TYPE (SPECIES_DATA_REG_3), ALLOCATABLE :: TR_SPECIES_DATA(:)\n\n namelist / GC_NML / GC_SPECIES_DATA\n namelist / AE_NML / AE_SPECIES_DATA\n namelist / NR_NML / NR_SPECIES_DATA\n namelist / TR_NML / TR_SPECIES_DATA\n\nc----------------------------------------------------------------------------------------\n success = .true.\n\n CALL LOG_HEADING( LOGDEV, \"Retrieve Species Namelist\" )\n\n ! Gas (GC) Namelist\n ALLOCATE( GC_SPECIES_DATA( SPC_DIM ), STAT=IOS )\n GC_SPECIES_DATA%SPECIES_NAME = ''\n GC_SPECIES_DATA%MOLWT = 0.\n GC_SPECIES_DATA%IC_SURR = ''\n GC_SPECIES_DATA%IC_FAC = 0.\n GC_SPECIES_DATA%BC_SURR = ''\n GC_SPECIES_DATA%BC_FAC = 0.\n GC_SPECIES_DATA%DEPV_SURR = ''\n GC_SPECIES_DATA%DEPV_FAC = 0.\n GC_SPECIES_DATA%SCAV_SURR = ''\n GC_SPECIES_DATA%SCAV_FAC = 0.\n GC_SPECIES_DATA%AERO_SURR = ''\n GC_SPECIES_DATA%CLOUD_SURR = ''\n GC_SPECIES_DATA%TRNS_FLAG = ''\n GC_SPECIES_DATA%DDEP_FLAG = ''\n GC_SPECIES_DATA%WDEP_FLAG = ''\n GC_SPECIES_DATA%CONC_FLAG = ''\n \n dev_gc_nml = junit() \n open( file = trim( gc_namelist ), unit = dev_gc_nml, \n & status = 'old', position = 'rewind' ) \n read( nml = GC_nml, unit = dev_gc_nml ) \n \n ! Determine Number of Gas Species \n N_GC_SPC = 0 \n DO IGC = 1,SPC_DIM \n IF ( GC_SPECIES_DATA( IGC )%SPECIES_NAME .EQ. '' ) EXIT \n N_GC_SPC = IGC\n IF ( GC_SPECIES_DATA( IGC )%IC_FAC .EQ. -1. )\n & GC_SPECIES_DATA( IGC )%IC_FAC = 0.\n IF ( GC_SPECIES_DATA( IGC )%BC_FAC .EQ. -1. )\n & GC_SPECIES_DATA( IGC )%BC_FAC = 0.\n IF ( GC_SPECIES_DATA( IGC )%DEPV_FAC .EQ. -1. )\n & GC_SPECIES_DATA( IGC )%DEPV_FAC = 0.\n IF ( GC_SPECIES_DATA( IGC )%SCAV_FAC .EQ. -1. )\n & GC_SPECIES_DATA( IGC )%SCAV_FAC = 0.\n END DO \n \n ! Allocate and Initialize Permanent Variables\n allocate ( \n & gc_spc( n_gc_spc+1 ), gc_molwt( n_gc_spc+1 ),\n & gc_ic( n_gc_spc+1 ), gc_ic_map( n_gc_spc+1 ), gc_ic_fac( n_gc_spc+1 ),\n & gc_bc( n_gc_spc+1 ), gc_bc_map( n_gc_spc+1 ), gc_bc_fac( n_gc_spc+1 ),\n & gc_depv( n_gc_spc+1 ), gc_depv_map( n_gc_spc+1 ), gc_depv_fac( n_gc_spc+1 ),\n & gc_scav( n_gc_spc+1 ), gc_scav_map( n_gc_spc+1 ), gc_scav_fac( n_gc_spc+1 ),\n & gc_g2ae( n_gc_spc+1 ), gc_g2ae_map( n_gc_spc+1 ),\n & gc_g2aq( n_gc_spc+1 ), gc_g2aq_map( n_gc_spc+1 ),\n & gc_trns( n_gc_spc+1 ), gc_trns_map( n_gc_spc+1 ),\n & gc_ddep( n_gc_spc+1 ), gc_ddep_map( n_gc_spc+1 ),\n & gc_wdep( n_gc_spc+1 ), gc_wdep_map( n_gc_spc+1 ),\n & gc_conc( n_gc_spc+1 ), gc_conc_map( n_gc_spc+1 ),\n#ifdef mpas\n & all_spc( spc_dim ),\n#endif\n & stat = ios )\n\n#ifdef mpas\n all_spc = bl\n#endif\n\n gc_spc = bl; gc_molwt = 0.0 ! .\n gc_ic = bl; gc_ic_map = 0; gc_ic_fac = 0.0 ! .\n gc_bc = bl; gc_bc_map = 0; gc_bc_fac = 0.0 ! .\n gc_depv = bl; gc_depv_map = 0; gc_depv_fac = 0.0 ! .\n gc_scav = bl; gc_scav_map = 0; gc_scav_fac = 0.0 ! array\n gc_g2ae = bl; gc_g2ae_map = 0 ! .\n gc_g2aq = bl; gc_g2aq_map = 0 ! assignments\n gc_trns = bl; gc_trns_map = 0 ! .\n gc_ddep = bl; gc_ddep_map = 0 ! .\n gc_wdep = bl; gc_wdep_map = 0 ! .\n gc_conc = bl; gc_conc_map = 0 ! .\n\n\n ! Pass Data from GC Namelist to Internal Variables\n N_GC_IC = 0; N_GC_BC = 0; N_GC_DEPV = 0; N_GC_SCAV = 0\n N_GC_G2AE = 0; N_GC_G2AQ = 0; N_GC_TRNS = 0; N_GC_DDEP = 0; N_GC_WDEP = 0\n N_GC_CONC = 0\n\n DO IGC = 1,N_GC_SPC\n \n GC_SPC( IGC ) = GC_SPECIES_DATA( IGC )%SPECIES_NAME\n GC_MOLWT( IGC ) = GC_SPECIES_DATA( IGC )%MOLWT\n\n ! Gas ICs\n IF ( GC_SPECIES_DATA( IGC )%IC_SURR .NE. '' ) THEN\n N_GC_IC = N_GC_IC + 1\n GC_IC( N_GC_IC ) = GC_SPECIES_DATA( IGC )%IC_SURR \n GC_IC_MAP( N_GC_IC ) = IGC\n GC_IC_FAC( N_GC_IC ) = GC_SPECIES_DATA( IGC )%IC_FAC\n END IF\n\n ! Gas BCs\n IF ( GC_SPECIES_DATA( IGC )%BC_SURR .NE. '' ) THEN\n N_GC_BC = N_GC_BC + 1\n GC_BC( N_GC_BC ) = GC_SPECIES_DATA( IGC )%BC_SURR \n GC_BC_MAP( N_GC_BC ) = IGC\n GC_BC_FAC( N_GC_BC ) = GC_SPECIES_DATA( IGC )%BC_FAC\n END IF\n \n ! Gas Dry Deposition Surrogates\n IF ( GC_SPECIES_DATA( IGC )%DEPV_SURR .NE. '' ) THEN\n N_GC_DEPV = N_GC_DEPV + 1\n GC_DEPV( N_GC_DEPV ) = GC_SPECIES_DATA( IGC )%DEPV_SURR \n GC_DEPV_MAP( N_GC_DEPV ) = IGC\n GC_DEPV_FAC( N_GC_DEPV ) = GC_SPECIES_DATA( IGC )%DEPV_FAC\n END IF\n \n ! Gas Wet Scavenging Surrogates\n IF ( GC_SPECIES_DATA( IGC )%SCAV_SURR .NE. '' ) THEN\n N_GC_SCAV = N_GC_SCAV + 1\n GC_SCAV( N_GC_SCAV ) = GC_SPECIES_DATA( IGC )%SCAV_SURR \n GC_SCAV_MAP( N_GC_SCAV ) = IGC\n GC_SCAV_FAC( N_GC_SCAV ) = GC_SPECIES_DATA( IGC )%SCAV_FAC\n END IF\n \n ! Gas -to-Aerosol Module Surrogates\n IF ( GC_SPECIES_DATA( IGC )%AERO_SURR .NE. '' ) THEN\n N_GC_G2AE = N_GC_G2AE + 1\n GC_G2AE( N_GC_G2AE ) = GC_SPECIES_DATA( IGC )%AERO_SURR \n GC_G2AE_MAP( N_GC_G2AE ) = IGC\n END IF\n \n ! Gas -to-Cloud Chemistry Surrogates\n IF ( GC_SPECIES_DATA( IGC )%CLOUD_SURR .NE. '' ) THEN\n N_GC_G2AQ = N_GC_G2AQ + 1\n GC_G2AQ( N_GC_G2AQ ) = GC_SPECIES_DATA( IGC )%CLOUD_SURR \n GC_G2AQ_MAP( N_GC_G2AQ ) = IGC\n END IF\n \n ! Gas - Perform Transport\n LTRNS = GET_LOGICAL_NML( GC_SPECIES_DATA( IGC )%TRNS_FLAG )\n IF ( LTRNS ) THEN\n N_GC_TRNS = N_GC_TRNS + 1\n GC_TRNS( N_GC_TRNS ) = GC_SPECIES_DATA( IGC )%SPECIES_NAME\n GC_TRNS_MAP( N_GC_TRNS ) = IGC\n END IF\n \n ! Gas - Output Deposition Velocity\n LDDEP = GET_LOGICAL_NML( GC_SPECIES_DATA( IGC )%DDEP_FLAG )\n IF ( LDDEP ) THEN\n N_GC_DDEP = N_GC_DDEP + 1\n GC_DDEP( N_GC_DDEP ) = GC_SPECIES_DATA( IGC )%SPECIES_NAME\n GC_DDEP_MAP( N_GC_DDEP ) = IGC\n END IF\n \n ! Gas - Output Wet Scavenging Flux\n LWDEP = GET_LOGICAL_NML( GC_SPECIES_DATA( IGC )%WDEP_FLAG )\n IF ( LWDEP ) THEN\n N_GC_WDEP = N_GC_WDEP + 1\n GC_WDEP( N_GC_WDEP ) = GC_SPECIES_DATA( IGC )%SPECIES_NAME\n GC_WDEP_MAP( N_GC_WDEP ) = IGC\n END IF\n \n ! Gas - Output Concentration Field\n LCONC = GET_LOGICAL_NML( GC_SPECIES_DATA( IGC )%CONC_FLAG )\n IF ( LCONC ) THEN\n N_GC_CONC = N_GC_CONC + 1\n GC_CONC( N_GC_CONC ) = GC_SPECIES_DATA( IGC )%SPECIES_NAME\n GC_CONC_MAP( N_GC_CONC ) = IGC\n END IF\n \n END DO\n\n GC_FINI = GC_STRT + N_GC_SPC - 1\n N_GC_SPCD = GC_FINI + 1\n GC_SPC( N_GC_SPCD ) = 'AIR_DENSITY'\n RHOJ_LOC = N_GC_SPCD\n\n\n ! Aerosol (AE) Namelist\n ALLOCATE( AE_SPECIES_DATA( SPC_DIM ), STAT=IOS )\n AE_SPECIES_DATA%SPECIES_NAME = ''\n AE_SPECIES_DATA%MOLWT = 0.\n AE_SPECIES_DATA%LAIT = .False.\n AE_SPECIES_DATA%LACC = .False.\n AE_SPECIES_DATA%LCOR = .False.\n AE_SPECIES_DATA%IC_SURR = ''\n AE_SPECIES_DATA%IC_FAC = 0.\n AE_SPECIES_DATA%BC_SURR = ''\n AE_SPECIES_DATA%BC_FAC = 0.\n AE_SPECIES_DATA%OPTICS_SURR = ''\n AE_SPECIES_DATA%DEPV_SURR = ''\n AE_SPECIES_DATA%DEPV_FAC = 0.\n AE_SPECIES_DATA%SCAV_SURR = ''\n AE_SPECIES_DATA%SCAV_FAC = 0.\n AE_SPECIES_DATA%CLOUD_SURR = ''\n AE_SPECIES_DATA%TRNS_FLAG = ''\n AE_SPECIES_DATA%DDEP_FLAG = ''\n AE_SPECIES_DATA%WDEP_FLAG = ''\n AE_SPECIES_DATA%CONC_FLAG = ''\n \n\n dev_ae_nml = junit()\n open( file = trim( ae_namelist ), unit = dev_ae_nml,\n & status = 'old', position = 'rewind' )\n read( nml = AE_nml, unit = dev_ae_nml ) \n\n ! First Expand Aerosol Namelist to Add Modes for Each\n ! Species based on Aitken, Accum, and Coarse columns in the AE\n ! namelist\n CALL AERO_NML_MODES()\n\n ! Determine Number of Aerosol Species\n N_AE_SPC = 0\n DO IAE = 1,SPC_DIM\n IF ( AE_SPECIES_DATA( IAE )%SPECIES_NAME .EQ. '' ) EXIT\n N_AE_SPC = IAE\n IF ( AE_SPECIES_DATA( IAE )%IC_FAC .EQ. -1. )\n & AE_SPECIES_DATA( IAE )%IC_FAC = 0.\n IF ( AE_SPECIES_DATA( IAE )%BC_FAC .EQ. -1. )\n & AE_SPECIES_DATA( IAE )%BC_FAC = 0.\n IF ( AE_SPECIES_DATA( IAE )%DEPV_FAC .EQ. -1. )\n & AE_SPECIES_DATA( IAE )%DEPV_FAC = 0.\n IF ( AE_SPECIES_DATA( IAE )%SCAV_FAC .EQ. -1. )\n & AE_SPECIES_DATA( IAE )%SCAV_FAC = 0.\n END DO\n\n IF ( STM ) THEN\n IF ( ( N_AE_SPC + N_STM_AE_SPC ) .GT. SPC_DIM ) THEN\n WRITE( LOGDEV,* ) '*** Allocated dimension exceeded for AE ', \n & ' species in Sulfur Tracking Model' \n SUCCESS = .FALSE.\n RETURN\n END IF\n \n DO IAE = 1, N_STM_AE_SPC\n N_AE_SPC = N_AE_SPC + 1\n AE_SPECIES_DATA( N_AE_SPC )%SPECIES_NAME = STM_AE_SPECIES_DATA( IAE )%SPECIES_NAME\n AE_SPECIES_DATA( N_AE_SPC )%MOLWT = STM_AE_SPECIES_DATA( IAE )%MOLWT\n AE_SPECIES_DATA( N_AE_SPC )%IC_SURR = STM_AE_SPECIES_DATA( IAE )%IC_SURR\n AE_SPECIES_DATA( N_AE_SPC )%IC_FAC = STM_AE_SPECIES_DATA( IAE )%IC_FAC\n AE_SPECIES_DATA( N_AE_SPC )%BC_SURR = STM_AE_SPECIES_DATA( IAE )%BC_SURR\n AE_SPECIES_DATA( N_AE_SPC )%BC_FAC = STM_AE_SPECIES_DATA( IAE )%BC_FAC\n AE_SPECIES_DATA( N_AE_SPC )%DEPV_SURR = STM_AE_SPECIES_DATA( IAE )%DEPV_SURR\n AE_SPECIES_DATA( N_AE_SPC )%DEPV_FAC = STM_AE_SPECIES_DATA( IAE )%DEPV_FAC\n AE_SPECIES_DATA( N_AE_SPC )%SCAV_SURR = STM_AE_SPECIES_DATA( IAE )%SCAV_SURR\n AE_SPECIES_DATA( N_AE_SPC )%SCAV_FAC = STM_AE_SPECIES_DATA( IAE )%SCAV_FAC\n AE_SPECIES_DATA( N_AE_SPC )%CLOUD_SURR = STM_AE_SPECIES_DATA( IAE )%CLOUD_SURR\n AE_SPECIES_DATA( N_AE_SPC )%TRNS_FLAG = STM_AE_SPECIES_DATA( IAE )%TRNS_FLAG\n AE_SPECIES_DATA( N_AE_SPC )%DDEP_FLAG = STM_AE_SPECIES_DATA( IAE )%DDEP_FLAG\n AE_SPECIES_DATA( N_AE_SPC )%WDEP_FLAG = STM_AE_SPECIES_DATA( IAE )%WDEP_FLAG\n AE_SPECIES_DATA( N_AE_SPC )%CONC_FLAG = STM_AE_SPECIES_DATA( IAE )%CONC_FLAG\n END DO\n\n If ( ( Index( mechname, 'SAPRC07TIC_AE6I' ) .Gt. 0 ) .OR.\n & ( Index( mechname, 'SAPRC07TIC_AE7I' ) .Gt. 0 ) .OR.\n & ( Index( mechname, 'CRACMM1_' ) .Gt. 0 ) .OR.\n & ( Index( mechname, 'CRACMM2' ) .Gt. 0 ) .OR.\n & ( Index( mechname, 'CRACMM1AMORE_' ) .Gt. 0 ) .OR.\n & ( Index( mechname, 'CB6R3_AE7' ) .Gt. 0 ) .OR.\n & ( Index( mechname, 'CB6R5_AE7' ) .Gt. 0 ) .OR.\n & ( Index( mechname, 'CB6R5M_AE7' ) .Gt. 0 ) ) Then\n \n ORGANOSULF = .TRUE.\n\n IF ( ( N_AE_SPC + N_STM_OAE_SPC ) .GT. SPC_DIM ) THEN\n WRITE( LOGDEV,* ) '*** Allocated dimension exceeded for AE ', \n & ' species in Sulfur Tracking Model' \n SUCCESS = .FALSE.\n RETURN\n END IF\n \n DO IAE = 1, N_STM_OAE_SPC\n N_AE_SPC = N_AE_SPC + 1\n AE_SPECIES_DATA( N_AE_SPC )%SPECIES_NAME = STM_OAE_SPECIES_DATA( IAE )%SPECIES_NAME\n AE_SPECIES_DATA( N_AE_SPC )%MOLWT = STM_OAE_SPECIES_DATA( IAE )%MOLWT\n AE_SPECIES_DATA( N_AE_SPC )%IC_SURR = STM_OAE_SPECIES_DATA( IAE )%IC_SURR\n AE_SPECIES_DATA( N_AE_SPC )%IC_FAC = STM_OAE_SPECIES_DATA( IAE )%IC_FAC\n AE_SPECIES_DATA( N_AE_SPC )%BC_SURR = STM_OAE_SPECIES_DATA( IAE )%BC_SURR\n AE_SPECIES_DATA( N_AE_SPC )%BC_FAC = STM_OAE_SPECIES_DATA( IAE )%BC_FAC\n AE_SPECIES_DATA( N_AE_SPC )%DEPV_SURR = STM_OAE_SPECIES_DATA( IAE )%DEPV_SURR\n AE_SPECIES_DATA( N_AE_SPC )%DEPV_FAC = STM_OAE_SPECIES_DATA( IAE )%DEPV_FAC\n AE_SPECIES_DATA( N_AE_SPC )%SCAV_SURR = STM_OAE_SPECIES_DATA( IAE )%SCAV_SURR\n AE_SPECIES_DATA( N_AE_SPC )%SCAV_FAC = STM_OAE_SPECIES_DATA( IAE )%SCAV_FAC\n AE_SPECIES_DATA( N_AE_SPC )%CLOUD_SURR = STM_OAE_SPECIES_DATA( IAE )%CLOUD_SURR\n AE_SPECIES_DATA( N_AE_SPC )%TRNS_FLAG = STM_OAE_SPECIES_DATA( IAE )%TRNS_FLAG\n AE_SPECIES_DATA( N_AE_SPC )%DDEP_FLAG = STM_OAE_SPECIES_DATA( IAE )%DDEP_FLAG\n AE_SPECIES_DATA( N_AE_SPC )%WDEP_FLAG = STM_OAE_SPECIES_DATA( IAE )%WDEP_FLAG\n AE_SPECIES_DATA( N_AE_SPC )%CONC_FLAG = STM_OAE_SPECIES_DATA( IAE )%CONC_FLAG\n END DO\n\n End If\n END IF\n\n ! Allocate and Initialize Permanent Variables\n allocate ( \n & ae_spc( n_ae_spc ), ae_molwt( n_ae_spc ),\n & ae_ic( n_ae_spc ), ae_ic_map( n_ae_spc ), ae_ic_fac( n_ae_spc ),\n & ae_bc( n_ae_spc ), ae_bc_map( n_ae_spc ), ae_bc_fac( n_ae_spc ),\n & ae_optics( n_ae_spc ),\n & ae_depv( n_ae_spc ), ae_depv_map( n_ae_spc ), ae_depv_fac( n_ae_spc ),\n & ae_scav( n_ae_spc ), ae_scav_map( n_ae_spc ), ae_scav_fac( n_ae_spc ),\n & ae_a2aq( n_ae_spc ), ae_a2aq_map( n_ae_spc ),\n & ae_trns( n_ae_spc ), ae_trns_map( n_ae_spc ),\n & ae_ddep( n_ae_spc ), ae_ddep_map( n_ae_spc ),\n & ae_wdep( n_ae_spc ), ae_wdep_map( n_ae_spc ),\n & ae_conc( n_ae_spc ), ae_conc_map( n_ae_spc ),\n & stat = ios )\n\n ae_spc = bl; ae_molwt = 0.0 ! .\n ae_optics = bl\n ae_ic = bl; ae_ic_map = 0; ae_ic_fac = 0.0 ! .\n ae_bc = bl; ae_bc_map = 0; ae_bc_fac = 0.0 ! .\n ae_depv = bl; ae_depv_map = 0; ae_depv_fac = 0.0 ! .\n ae_scav = bl; ae_scav_map = 0; ae_scav_fac = 0.0 ! array\n ae_a2aq = bl; ae_a2aq_map = 0 ! .\n ae_trns = bl; ae_trns_map = 0 ! assignments\n ae_ddep = bl; ae_ddep_map = 0 ! .\n ae_wdep = bl; ae_wdep_map = 0 ! .\n ae_conc = bl; ae_conc_map = 0 ! .\n\n ! Pass Data from AE Namelist to Internal Variables\n N_AE_OPTICS = 0;N_AE_IC = 0; N_AE_BC = 0; N_AE_DEPV = 0; N_AE_SCAV = 0\n N_AE_A2AQ = 0; N_AE_TRNS = 0; N_AE_DDEP = 0; N_AE_WDEP = 0\n N_AE_CONC = 0\n\n DO IAE = 1,N_AE_SPC\n\n AE_SPC( IAE ) = AE_SPECIES_DATA( IAE )%SPECIES_NAME\n AE_MOLWT( IAE ) = AE_SPECIES_DATA( IAE )%MOLWT\n\n ! Aerosol ICs\n IF ( AE_SPECIES_DATA( IAE )%IC_SURR .NE. '' ) THEN\n N_AE_IC = N_AE_IC + 1\n AE_IC( N_AE_IC ) = AE_SPECIES_DATA( IAE )%IC_SURR \n AE_IC_MAP( N_AE_IC ) = IAE\n AE_IC_FAC( N_AE_IC ) = AE_SPECIES_DATA( IAE )%IC_FAC\n END IF\n\n ! Aerosol BCs\n IF ( AE_SPECIES_DATA( IAE )%BC_SURR .NE. '' ) THEN\n N_AE_BC = N_AE_BC + 1\n AE_BC( N_AE_BC ) = AE_SPECIES_DATA( IAE )%BC_SURR \n AE_BC_MAP( N_AE_BC ) = IAE\n AE_BC_FAC( N_AE_BC ) = AE_SPECIES_DATA( IAE )%BC_FAC\n END IF\n\n ! Aerosol Refractive Indices, blank if using default values in AERO_DATA module\n IF ( AE_SPECIES_DATA( IAE )%OPTICS_SURR .NE. '' ) THEN\n N_AE_OPTICS = N_AE_OPTICS + 1\n AE_OPTICS( IAE ) = AE_SPECIES_DATA( IAE )%OPTICS_SURR\n END IF \n \n ! Aerosol Dry Deposition Surrogates\n IF ( AE_SPECIES_DATA( IAE )%DEPV_SURR .NE. '' ) THEN\n N_AE_DEPV = N_AE_DEPV + 1\n AE_DEPV( N_AE_DEPV ) = AE_SPECIES_DATA( IAE )%DEPV_SURR \n AE_DEPV_MAP( N_AE_DEPV ) = IAE\n AE_DEPV_FAC( N_AE_DEPV ) = AE_SPECIES_DATA( IAE )%DEPV_FAC\n END IF\n \n ! Aerosol Wet Scavenging Surrogates\n IF ( AE_SPECIES_DATA( IAE )%SCAV_SURR .NE. '' ) THEN\n N_AE_SCAV = N_AE_SCAV + 1\n AE_SCAV( N_AE_SCAV ) = AE_SPECIES_DATA( IAE )%SCAV_SURR \n AE_SCAV_MAP( N_AE_SCAV ) = IAE\n AE_SCAV_FAC( N_AE_SCAV ) = AE_SPECIES_DATA( IAE )%SCAV_FAC\n END IF\n \n ! Aerosol -to-Cloud Chemistry Surrogates\n IF ( AE_SPECIES_DATA( IAE )%CLOUD_SURR .NE. '' ) THEN\n N_AE_A2AQ = N_AE_A2AQ + 1\n AE_A2AQ( N_AE_A2AQ ) = AE_SPECIES_DATA( IAE )%CLOUD_SURR \n AE_A2AQ_MAP( N_AE_A2AQ ) = IAE\n END IF\n \n ! Aerosol - Perform Transport\n LTRNS = GET_LOGICAL_NML( AE_SPECIES_DATA( IAE )%TRNS_FLAG )\n IF ( LTRNS ) THEN\n N_AE_TRNS = N_AE_TRNS + 1\n AE_TRNS( N_AE_TRNS ) = AE_SPECIES_DATA( IAE )%SPECIES_NAME\n AE_TRNS_MAP( N_AE_TRNS ) = IAE\n END IF\n \n ! Aerosol - Output Deposition Velocity\n LDDEP = GET_LOGICAL_NML( AE_SPECIES_DATA( IAE )%DDEP_FLAG )\n IF ( LDDEP ) THEN\n N_AE_DDEP = N_AE_DDEP + 1\n AE_DDEP( N_AE_DDEP ) = AE_SPECIES_DATA( IAE )%SPECIES_NAME\n AE_DDEP_MAP( N_AE_DDEP ) = IAE\n END IF\n \n ! Aerosol - Output Wet Scavenging Flux\n LWDEP = GET_LOGICAL_NML( AE_SPECIES_DATA( IAE )%WDEP_FLAG )\n IF ( LWDEP ) THEN\n N_AE_WDEP = N_AE_WDEP + 1\n AE_WDEP( N_AE_WDEP ) = AE_SPECIES_DATA( IAE )%SPECIES_NAME\n AE_WDEP_MAP( N_AE_WDEP ) = IAE\n END IF\n \n ! Aerosol - Output Concentration Field\n LCONC = GET_LOGICAL_NML( AE_SPECIES_DATA( IAE )%CONC_FLAG )\n IF ( LCONC ) THEN\n N_AE_CONC = N_AE_CONC + 1\n AE_CONC( N_AE_CONC ) = AE_SPECIES_DATA( IAE )%SPECIES_NAME\n AE_CONC_MAP( N_AE_CONC ) = IAE\n END IF\n \n END DO\n\n AE_STRT = GC_FINI + 2\n AE_FINI = AE_STRT + N_AE_SPC - 1\n \n\n\n ! Nonreactive (NR) Namelist\n ALLOCATE( NR_SPECIES_DATA( SPC_DIM ), STAT=IOS )\n NR_SPECIES_DATA%SPECIES_NAME = ''\n NR_SPECIES_DATA%MOLWT = 0.\n NR_SPECIES_DATA%IC_SURR = ''\n NR_SPECIES_DATA%IC_FAC = 0.\n NR_SPECIES_DATA%BC_SURR = ''\n NR_SPECIES_DATA%BC_FAC = 0.\n NR_SPECIES_DATA%DEPV_SURR = ''\n NR_SPECIES_DATA%DEPV_FAC = 0.\n NR_SPECIES_DATA%SCAV_SURR = ''\n NR_SPECIES_DATA%SCAV_FAC = 0.\n NR_SPECIES_DATA%AERO_SURR = ''\n NR_SPECIES_DATA%CLOUD_SURR = ''\n NR_SPECIES_DATA%TRNS_FLAG = ''\n NR_SPECIES_DATA%DDEP_FLAG = ''\n NR_SPECIES_DATA%WDEP_FLAG = ''\n NR_SPECIES_DATA%CONC_FLAG = ''\n\n dev_nr_nml = junit()\n open( file = trim( nr_namelist ), unit = dev_nr_nml,\n & status = 'old', position = 'rewind' )\n read( nml = NR_nml, unit = dev_nr_nml ) \n \n ! Determine Number of Gas Species\n N_NR_SPC = 0\n DO INR = 1,SPC_DIM\n IF ( NR_SPECIES_DATA( INR )%SPECIES_NAME .EQ. '' ) EXIT\n N_NR_SPC = INR\n IF ( NR_SPECIES_DATA( INR )%IC_FAC .EQ. -1. )\n & NR_SPECIES_DATA( INR )%IC_FAC = 0.\n IF ( NR_SPECIES_DATA( INR )%BC_FAC .EQ. -1. )\n & NR_SPECIES_DATA( INR )%BC_FAC = 0.\n IF ( NR_SPECIES_DATA( INR )%DEPV_FAC .EQ. -1. )\n & NR_SPECIES_DATA( INR )%DEPV_FAC = 0.\n IF ( NR_SPECIES_DATA( INR )%SCAV_FAC .EQ. -1. )\n & NR_SPECIES_DATA( INR )%SCAV_FAC = 0.\n END DO\n\n IF ( STM ) THEN\n IF ( ( N_NR_SPC + N_STM_NR_SPC ) .GT. SPC_DIM ) THEN\n WRITE( LOGDEV,* ) '*** Allocated dimension exceeded for NR ', \n & ' species in Sulfur Tracking Model' \n SUCCESS = .FALSE.\n RETURN\n END IF\n \n DO INR = 1, N_STM_NR_SPC\n N_NR_SPC = N_NR_SPC + 1\n NR_SPECIES_DATA( N_NR_SPC )%SPECIES_NAME = STM_NR_SPECIES_DATA( INR )%SPECIES_NAME\n NR_SPECIES_DATA( N_NR_SPC )%MOLWT = STM_NR_SPECIES_DATA( INR )%MOLWT\n NR_SPECIES_DATA( N_NR_SPC )%IC_SURR = STM_NR_SPECIES_DATA( INR )%IC_SURR\n NR_SPECIES_DATA( N_NR_SPC )%IC_FAC = STM_NR_SPECIES_DATA( INR )%IC_FAC\n NR_SPECIES_DATA( N_NR_SPC )%BC_SURR = STM_NR_SPECIES_DATA( INR )%BC_SURR\n NR_SPECIES_DATA( N_NR_SPC )%BC_FAC = STM_NR_SPECIES_DATA( INR )%BC_FAC\n NR_SPECIES_DATA( N_NR_SPC )%DEPV_SURR = STM_NR_SPECIES_DATA( INR )%DEPV_SURR\n NR_SPECIES_DATA( N_NR_SPC )%DEPV_FAC = STM_NR_SPECIES_DATA( INR )%DEPV_FAC\n NR_SPECIES_DATA( N_NR_SPC )%SCAV_SURR = STM_NR_SPECIES_DATA( INR )%SCAV_SURR\n NR_SPECIES_DATA( N_NR_SPC )%SCAV_FAC = STM_NR_SPECIES_DATA( INR )%SCAV_FAC\n NR_SPECIES_DATA( N_NR_SPC )%AERO_SURR = STM_NR_SPECIES_DATA( INR )%AERO_SURR\n NR_SPECIES_DATA( N_NR_SPC )%CLOUD_SURR = STM_NR_SPECIES_DATA( INR )%CLOUD_SURR\n NR_SPECIES_DATA( N_NR_SPC )%TRNS_FLAG = STM_NR_SPECIES_DATA( INR )%TRNS_FLAG\n NR_SPECIES_DATA( N_NR_SPC )%DDEP_FLAG = STM_NR_SPECIES_DATA( INR )%DDEP_FLAG\n NR_SPECIES_DATA( N_NR_SPC )%WDEP_FLAG = STM_NR_SPECIES_DATA( INR )%WDEP_FLAG\n NR_SPECIES_DATA( N_NR_SPC )%CONC_FLAG = STM_NR_SPECIES_DATA( INR )%CONC_FLAG\n END DO\n END IF ! stm\n\n ! Allocate and Initialize Permanent Variables\n allocate ( \n & NR_spc( n_nr_spc ), NR_molwt( n_nr_spc ),\n & NR_ic( n_nr_spc ), NR_ic_map( n_nr_spc ), NR_ic_fac( n_nr_spc ),\n & NR_bc( n_nr_spc ), NR_bc_map( n_nr_spc ), NR_bc_fac( n_nr_spc ),\n & NR_depv( n_nr_spc ), NR_depv_map( n_nr_spc ), NR_depv_fac( n_nr_spc ),\n & NR_scav( n_nr_spc ), NR_scav_map( n_nr_spc ), NR_scav_fac( n_nr_spc ),\n & NR_n2ae( n_nr_spc ), NR_n2ae_map( n_nr_spc ),\n & NR_n2aq( n_nr_spc ), NR_n2aq_map( n_nr_spc ),\n & NR_trns( n_nr_spc ), NR_trns_map( n_nr_spc ),\n & NR_ddep( n_nr_spc ), NR_ddep_map( n_nr_spc ),\n & NR_wdep( n_nr_spc ), NR_wdep_map( n_nr_spc ),\n & NR_conc( n_nr_spc ), NR_conc_map( n_nr_spc ),\n & stat = ios )\n\n NR_spc = bl; NR_molwt = 0.0 ! .\n NR_ic = bl; NR_ic_map = 0; NR_ic_fac = 0.0 ! .\n NR_bc = bl; NR_bc_map = 0; NR_bc_fac = 0.0 ! .\n NR_depv = bl; NR_depv_map = 0; NR_depv_fac = 0.0 ! .\n NR_scav = bl; NR_scav_map = 0; NR_scav_fac = 0.0 ! array\n NR_n2ae = bl; NR_n2ae_map = 0 ! .\n NR_n2aq = bl; NR_n2aq_map = 0 ! .\n NR_trns = bl; NR_trns_map = 0 ! assignments\n NR_ddep = bl; NR_ddep_map = 0 ! .\n NR_wdep = bl; NR_wdep_map = 0 ! .\n NR_conc = bl; NR_conc_map = 0 ! .\n\n ! Pass Data from NR Namelist to Internal Variables\n N_NR_IC = 0; N_NR_BC = 0; N_NR_DEPV = 0; N_NR_SCAV = 0\n N_NR_N2AE = 0; N_NR_N2AQ = 0; N_NR_TRNS = 0; N_NR_DDEP = 0; N_NR_WDEP = 0\n N_NR_CONC = 0\n\n DO INR = 1,N_NR_SPC\n\n NR_SPC( INR ) = NR_SPECIES_DATA( INR )%SPECIES_NAME\n NR_MOLWT( INR ) = NR_SPECIES_DATA( INR )%MOLWT\n\n ! Nonreactive ICs\n IF ( NR_SPECIES_DATA( INR )%IC_SURR .NE. '' ) THEN\n N_NR_IC = N_NR_IC + 1\n NR_IC( N_NR_IC ) = NR_SPECIES_DATA( INR )%IC_SURR \n NR_IC_MAP( N_NR_IC ) = INR\n NR_IC_FAC( N_NR_IC ) = NR_SPECIES_DATA( INR )%IC_FAC\n END IF\n\n ! Nonreactive BCs\n IF ( NR_SPECIES_DATA( INR )%BC_SURR .NE. '' ) THEN\n N_NR_BC = N_NR_BC + 1\n NR_BC( N_NR_BC ) = NR_SPECIES_DATA( INR )%BC_SURR \n NR_BC_MAP( N_NR_BC ) = INR\n NR_BC_FAC( N_NR_BC ) = NR_SPECIES_DATA( INR )%BC_FAC\n END IF\n \n ! Nonreactive Dry Deposition Surrogates\n IF ( NR_SPECIES_DATA( INR )%DEPV_SURR .NE. '' ) THEN\n N_NR_DEPV = N_NR_DEPV + 1\n NR_DEPV( N_NR_DEPV ) = NR_SPECIES_DATA( INR )%DEPV_SURR \n NR_DEPV_MAP( N_NR_DEPV ) = INR\n NR_DEPV_FAC( N_NR_DEPV ) = NR_SPECIES_DATA( INR )%DEPV_FAC\n END IF\n \n ! Nonreactive Wet Scavenging Surrogates\n IF ( NR_SPECIES_DATA( INR )%SCAV_SURR .NE. '' ) THEN\n N_NR_SCAV = N_NR_SCAV + 1\n NR_SCAV( N_NR_SCAV ) = NR_SPECIES_DATA( INR )%SCAV_SURR \n NR_SCAV_MAP( N_NR_SCAV ) = INR\n NR_SCAV_FAC( N_NR_SCAV ) = NR_SPECIES_DATA( INR )%SCAV_FAC\n END IF\n \n ! Nonreactive -to-Aerosol Module Surrogates\n IF ( NR_SPECIES_DATA( INR )%AERO_SURR .NE. '' ) THEN\n N_NR_N2AE = N_NR_N2AE + 1\n NR_N2AE( N_NR_N2AE ) = NR_SPECIES_DATA( INR )%AERO_SURR \n NR_N2AE_MAP( N_NR_N2AE ) = INR\n END IF\n \n ! Nonreactive -to-Cloud Chemistry Surrogates\n IF ( NR_SPECIES_DATA( INR )%CLOUD_SURR .NE. '' ) THEN\n N_NR_N2AQ = N_NR_N2AQ + 1\n NR_N2AQ( N_NR_N2AQ ) = NR_SPECIES_DATA( INR )%CLOUD_SURR \n NR_N2AQ_MAP( N_NR_N2AQ ) = INR\n END IF\n \n ! Nonreactive - Perform Transport\n LTRNS = GET_LOGICAL_NML( NR_SPECIES_DATA( INR )%TRNS_FLAG )\n IF ( LTRNS ) THEN\n N_NR_TRNS = N_NR_TRNS + 1\n NR_TRNS( N_NR_TRNS ) = NR_SPECIES_DATA( INR )%SPECIES_NAME\n NR_TRNS_MAP( N_NR_TRNS ) = INR\n END IF\n \n ! Nonreactive - Output Deposition Velocity\n LDDEP = GET_LOGICAL_NML( NR_SPECIES_DATA( INR )%DDEP_FLAG )\n IF ( LDDEP ) THEN\n N_NR_DDEP = N_NR_DDEP + 1\n NR_DDEP( N_NR_DDEP ) = NR_SPECIES_DATA( INR )%SPECIES_NAME\n NR_DDEP_MAP( N_NR_DDEP ) = INR\n END IF\n \n ! Nonreactive - Output Wet Scavenging Flux\n LWDEP = GET_LOGICAL_NML( NR_SPECIES_DATA( INR )%WDEP_FLAG )\n IF ( LWDEP ) THEN\n N_NR_WDEP = N_NR_WDEP + 1\n NR_WDEP( N_NR_WDEP ) = NR_SPECIES_DATA( INR )%SPECIES_NAME\n NR_WDEP_MAP( N_NR_WDEP ) = INR\n END IF\n \n ! Nonreactive - Output Concentration Field\n LCONC = GET_LOGICAL_NML( NR_SPECIES_DATA( INR )%CONC_FLAG )\n IF ( LCONC ) THEN\n N_NR_CONC = N_NR_CONC + 1\n NR_CONC( N_NR_CONC ) = NR_SPECIES_DATA( INR )%SPECIES_NAME\n NR_CONC_MAP( N_NR_CONC ) = INR\n END IF\n \n END DO\n\n NR_STRT = AE_FINI + 1\n NR_FINI = NR_STRT + N_NR_SPC - 1\n \n\n ! Tracer (TR) Namelists\n ALLOCATE( TR_SPECIES_DATA( SPC_DIM ), STAT=IOS )\n TR_SPECIES_DATA%SPECIES_NAME = ''\n TR_SPECIES_DATA%MOLWT = 0.\n TR_SPECIES_DATA%IC_SURR = ''\n TR_SPECIES_DATA%IC_FAC = 0.\n TR_SPECIES_DATA%BC_SURR = ''\n TR_SPECIES_DATA%BC_FAC = 0.\n TR_SPECIES_DATA%DEPV_SURR = ''\n TR_SPECIES_DATA%DEPV_FAC = 0.\n TR_SPECIES_DATA%SCAV_SURR = ''\n TR_SPECIES_DATA%SCAV_FAC = 0.\n TR_SPECIES_DATA%AERO_SURR = ''\n TR_SPECIES_DATA%CLOUD_SURR = ''\n TR_SPECIES_DATA%ADVC_FLAG = ''\n TR_SPECIES_DATA%DIFF_FLAG = ''\n TR_SPECIES_DATA%DDEP_FLAG = ''\n TR_SPECIES_DATA%WDEP_FLAG = ''\n TR_SPECIES_DATA%CONC_FLAG = ''\n\n\n\n dev_tr_nml = junit()\n open( file = trim( tr_namelist ), unit = dev_tr_nml,\n & status = 'old', position = 'rewind' )\n read( nml = TR_nml, unit = dev_tr_nml )\n\n ! Determine Number of Gas Species\n N_TR_SPC = 0\n DO ITR = 1,SPC_DIM\n IF ( TR_SPECIES_DATA( ITR )%SPECIES_NAME .EQ. '' ) EXIT\n N_TR_SPC = ITR\n IF ( TR_SPECIES_DATA( ITR )%IC_FAC .EQ. -1. )\n & TR_SPECIES_DATA( ITR )%IC_FAC = 0.\n IF ( TR_SPECIES_DATA( ITR )%BC_FAC .EQ. -1. )\n & TR_SPECIES_DATA( ITR )%BC_FAC = 0.\n IF ( TR_SPECIES_DATA( ITR )%DEPV_FAC .EQ. -1. )\n & TR_SPECIES_DATA( ITR )%DEPV_FAC = 0.\n IF ( TR_SPECIES_DATA( ITR )%SCAV_FAC .EQ. -1. )\n & TR_SPECIES_DATA( ITR )%SCAV_FAC = 0.\n END DO\n\n ! Allocate and Initialize Permanent Variables\n allocate ( \n & TR_spc( n_tr_spc ), TR_molwt( n_tr_spc ),\n & TR_ic( n_tr_spc ), TR_ic_map( n_tr_spc ), TR_ic_fac( n_tr_spc ),\n & TR_bc( n_tr_spc ), TR_bc_map( n_tr_spc ), TR_bc_fac( n_tr_spc ),\n & TR_depv( n_tr_spc ), TR_depv_map( n_tr_spc ), TR_depv_fac( n_tr_spc ),\n & TR_scav( n_tr_spc ), TR_scav_map( n_tr_spc ), TR_scav_fac( n_tr_spc ),\n & TR_t2ae( n_tr_spc ), TR_t2ae_map( n_tr_spc ),\n & TR_t2aq( n_tr_spc ), TR_t2aq_map( n_tr_spc ),\n & TR_adv( n_tr_spc ), TR_adv_map( n_tr_spc ),\n & TR_diff( n_tr_spc ), TR_diff_map( n_tr_spc ),\n & TR_ddep( n_tr_spc ), TR_ddep_map( n_tr_spc ),\n & TR_wdep( n_tr_spc ), TR_wdep_map( n_tr_spc ),\n & TR_conc( n_tr_spc ), TR_conc_map( n_tr_spc ),\n & stat = ios )\n\n TR_spc = bl; TR_molwt = 0.0 ! .\n TR_ic = bl; TR_ic_map = 0; TR_ic_fac = 0.0 ! .\n TR_bc = bl; TR_bc_map = 0; TR_bc_fac = 0.0 ! .\n TR_depv = bl; TR_depv_map = 0; TR_depv_fac = 0.0 ! .\n TR_scav = bl; TR_scav_map = 0; TR_scav_fac = 0.0 ! array\n TR_t2ae = bl; TR_t2ae_map = 0 ! .\n TR_t2aq = bl; TR_t2aq_map = 0 ! .\n TR_adv = bl; TR_adv_map = 0 ! assignments\n TR_diff = bl; TR_diff_map = 0 ! assignments\n TR_ddep = bl; TR_ddep_map = 0 ! .\n TR_wdep = bl; TR_wdep_map = 0 ! .\n TR_conc = bl; TR_conc_map = 0 ! .\n\n ! Pass Data from TR Namelist to Internal Variables\n N_TR_IC = 0; N_TR_BC = 0; N_TR_DEPV = 0; N_TR_SCAV = 0\n N_TR_T2AE = 0; N_TR_T2AQ = 0; N_TR_ADV = 0; N_TR_DDEP = 0; N_TR_WDEP = 0\n N_TR_CONC = 0; N_TR_DIFF = 0\n\n DO ITR = 1,N_TR_SPC\n\n TR_SPC( ITR ) = TR_SPECIES_DATA( ITR )%SPECIES_NAME\n TR_MOLWT( ITR ) = TR_SPECIES_DATA( ITR )%MOLWT\n\n ! Tracer IC\n IF ( TR_SPECIES_DATA( ITR )%IC_SURR .NE. '' ) THEN\n N_TR_IC = N_TR_IC + 1\n TR_IC( N_TR_IC ) = TR_SPECIES_DATA( ITR )%IC_SURR \n TR_IC_MAP( N_TR_IC ) = ITR\n TR_IC_FAC( N_TR_IC ) = TR_SPECIES_DATA( ITR )%IC_FAC\n END IF\n\n ! Tracer BC\n IF ( TR_SPECIES_DATA( ITR )%BC_SURR .NE. '' ) THEN\n N_TR_BC = N_TR_BC + 1\n TR_BC( N_TR_BC ) = TR_SPECIES_DATA( ITR )%BC_SURR \n TR_BC_MAP( N_TR_BC ) = ITR\n TR_BC_FAC( N_TR_BC ) = TR_SPECIES_DATA( ITR )%BC_FAC\n END IF\n \n ! Tracer Dry Deposition Surrogates\n IF ( TR_SPECIES_DATA( ITR )%DEPV_SURR .NE. '' ) THEN\n N_TR_DEPV = N_TR_DEPV + 1\n TR_DEPV( N_TR_DEPV ) = TR_SPECIES_DATA( ITR )%DEPV_SURR \n TR_DEPV_MAP( N_TR_DEPV ) = ITR\n TR_DEPV_FAC( N_TR_DEPV ) = TR_SPECIES_DATA( ITR )%DEPV_FAC\n END IF\n \n ! Tracer Wet Scavenging Surrogates\n IF ( TR_SPECIES_DATA( ITR )%SCAV_SURR .NE. '' ) THEN\n N_TR_SCAV = N_TR_SCAV + 1\n TR_SCAV( N_TR_SCAV ) = TR_SPECIES_DATA( ITR )%SCAV_SURR \n TR_SCAV_MAP( N_TR_SCAV ) = ITR\n TR_SCAV_FAC( N_TR_SCAV ) = TR_SPECIES_DATA( ITR )%SCAV_FAC\n END IF\n \n ! Tracer -to-Aerosol Module Surrogates\n IF ( TR_SPECIES_DATA( ITR )%AERO_SURR .NE. '' ) THEN\n N_TR_T2AE = N_TR_T2AE + 1\n TR_T2AE( N_TR_T2AE ) = TR_SPECIES_DATA( ITR )%AERO_SURR \n TR_T2AE_MAP( N_TR_T2AE ) = ITR\n END IF\n \n ! Tracer -to-Cloud Chemistry Surrogates\n IF ( TR_SPECIES_DATA( ITR )%CLOUD_SURR .NE. '' ) THEN\n N_TR_T2AQ = N_TR_T2AQ + 1\n TR_T2AQ( N_TR_T2AQ ) = TR_SPECIES_DATA( ITR )%CLOUD_SURR \n TR_T2AQ_MAP( N_TR_T2AQ ) = ITR\n END IF\n \n ! Tracer - Perform Advection?\n LADVC = GET_LOGICAL_NML( TR_SPECIES_DATA( ITR )%ADVC_FLAG )\n IF ( LADVC ) THEN\n N_TR_ADV = N_TR_ADV + 1\n TR_ADV( N_TR_ADV ) = TR_SPECIES_DATA( ITR )%SPECIES_NAME\n TR_ADV_MAP( N_TR_ADV ) = ITR\n END IF\n \n ! Tracer - Perform Dispersion (i.e. Diffusion)?\n LDIFF = GET_LOGICAL_NML( TR_SPECIES_DATA( ITR )%DIFF_FLAG )\n IF ( LDIFF ) THEN\n N_TR_DIFF = N_TR_DIFF + 1\n TR_DIFF( N_TR_DIFF ) = TR_SPECIES_DATA( ITR )%SPECIES_NAME\n TR_DIFF_MAP( N_TR_DIFF ) = ITR\n END IF\n \n ! Tracer - Output Deposition Velocity\n LDDEP = GET_LOGICAL_NML( TR_SPECIES_DATA( ITR )%DDEP_FLAG )\n IF ( LDDEP ) THEN\n N_TR_DDEP = N_TR_DDEP + 1\n TR_DDEP( N_TR_DDEP ) = TR_SPECIES_DATA( ITR )%SPECIES_NAME\n TR_DDEP_MAP( N_TR_DDEP ) = ITR\n END IF\n \n ! Tracer - Output Wet Scavenging Flux\n LWDEP = GET_LOGICAL_NML( TR_SPECIES_DATA( ITR )%WDEP_FLAG )\n IF ( LWDEP ) THEN\n N_TR_WDEP = N_TR_WDEP + 1\n TR_WDEP( N_TR_WDEP ) = TR_SPECIES_DATA( ITR )%SPECIES_NAME\n TR_WDEP_MAP( N_TR_WDEP ) = ITR\n END IF\n \n ! Tracer - Output Concentration Field\n LCONC = GET_LOGICAL_NML( TR_SPECIES_DATA( ITR )%CONC_FLAG )\n IF ( LCONC ) THEN\n N_TR_CONC = N_TR_CONC + 1\n TR_CONC( N_TR_CONC ) = TR_SPECIES_DATA( ITR )%SPECIES_NAME\n TR_CONC_MAP( N_TR_CONC ) = ITR\n END IF\n \n END DO\n\n TR_STRT = NR_FINI + 1\n TR_FINI = TR_STRT + N_TR_SPC - 1\n \n \n !--------------------------------------------------------------\n ! Process Chemical Namelist Informaiton to CGRID Vectors\n !--------------------------------------------------------------\n\n ! Sum Up All Species Across Phases and Types\n NSPCSD = N_GC_SPCD + N_AE_SPC + N_NR_SPC + N_TR_SPC\n\n#ifdef mpas\n n_all_spc = n_gc_spc + n_ae_spc + n_nr_spc + n_tr_spc\n do i1 = 1, n_gc_spc\n all_spc(i1) = gc_spc(i1)\n end do\n\n i1 = i1 - 1\n do i2 = 1, n_ae_spc\n all_spc(i1+i2) = ae_spc(i2)\n end do\n\n i1 = i1 + i2 - 1\n do i3 = 1, n_nr_spc\n all_spc(i1+i3) = nr_spc(i3)\n end do\n\n i1 = i1 + i3 - 1\n do i4 = 1, n_tr_spc\n all_spc(i1+i4) = nr_spc(i4)\n end do\n#endif\n\n \n ! Move Data To CGRID_xxx Master Arrays\n N_CGRID_SPC = NSPCSD\n ALLOCATE( CGRID_NAME ( N_CGRID_SPC ),\n & CGRID_MW ( N_CGRID_SPC ),\n & CGRID_UNITS( N_CGRID_SPC ),\n & CGRID_MASK_GAS( N_CGRID_SPC ),\n & CGRID_MASK_AERO( N_CGRID_SPC ),\n & CGRID_MASK_NUM( N_CGRID_SPC ),\n & CGRID_MASK_SRF( N_CGRID_SPC ),\n & CGRID_MASK_NR( N_CGRID_SPC ),\n & CGRID_MASK_TRAC( N_CGRID_SPC ),\n & CGRID_CONC_UNIT( N_CGRID_SPC ),\n & CGRID_CONC_DESC( N_CGRID_SPC ),\n & MAP_DEPVtoCGRID( N_CGRID_SPC ),\n & MAP_WDEPtoCGRID( N_CGRID_SPC ) )\n CGRID_NAME = ''\n CGRID_MW = 0.\n CGRID_MASK_GAS = .FALSE.\n CGRID_MASK_AERO= .FALSE.\n CGRID_MASK_NUM = .FALSE.\n CGRID_MASK_SRF = .FALSE.\n CGRID_MASK_NR = .FALSE.\n CGRID_MASK_TRAC= .FALSE.\n CGRID_CONC_UNIT= ''\n CGRID_CONC_DESC= ''\n MAP_DEPVtoCGRID= 0\n MAP_WDEPtoCGRID= 0\n CGRID_UNITS = ''\n\n IGRID = 0\n IWDEP = 0\n IDEPV = 0\n ! Set Masks for Reactive Gases\n DO ISPC = gc_strt,n_gc_spc\n IGRID = IGRID + 1\n CGRID_NAME( IGRID ) = GC_SPC( ISPC )\n CGRID_MW( IGRID ) = GC_MOLWT( ISPC )\n CGRID_MASK_GAS( IGRID ) = .TRUE.\n CGRID_CONC_UNIT( IGRID ) = 'ppmV'\n CGRID_UNITS( IGRID ) = 'ppmV'\n CGRID_CONC_DESC( IGRID ) = 'Molar Mixing Ratio of ' // CGRID_NAME(IGRID)\n DO JSPC = 1,N_GC_DEPV\n IF ( GC_DEPV_MAP( JSPC ) .EQ. ISPC ) THEN\n IDEPV = IDEPV + 1\n MAP_DEPVtoCGRID( IDEPV ) = IGRID\n END IF\n END DO\n DO JSPC = 1,N_GC_WDEP\n IF ( GC_WDEP_MAP( JSPC ) .EQ. ISPC ) THEN\n IWDEP = IWDEP + 1\n MAP_WDEPtoCGRID( IWDEP ) = IGRID\n END IF\n ENDDO\n END DO\n\n ! Set Masks for Density x Jacobian/MSFX2\n CGRID_NAME( RHOJ_LOC ) = 'RHOJ'\n CGRID_MW( RHOJ_LOC ) = 28.96\n CGRID_MASK_GAS( RHOJ_LOC ) = .TRUE.\n IGRID = IGRID + 1\n\n ! Set Masks for Aerosols\n DO ISPC = 1,n_ae_spc\n IGRID = IGRID + 1\n CGRID_NAME( IGRID ) = AE_SPC( ISPC )\n CGRID_MW( IGRID ) = AE_MOLWT( ISPC )\n CGRID_MASK_AERO( IGRID ) = .TRUE.\n CGRID_CONC_UNIT( IGRID ) = 'ug m-3'\n CGRID_CONC_DESC( IGRID ) = 'PM Mass Concentration of ' // CGRID_NAME(IGRID)\n IF ( INDEX( AE_SPC( ISPC ),'NUM') .NE. 0 ) THEN\n CGRID_MASK_NUM( IGRID ) = .TRUE.\n CGRID_CONC_UNIT( IGRID ) = 'm-3'\n CGRID_CONC_DESC( IGRID ) = 'PM Number Concentration of ' // CGRID_NAME(IGRID)\n END IF\n IF ( INDEX( AE_SPC( ISPC ),'SRF') .NE. 0 ) THEN\n CGRID_MASK_SRF( IGRID ) = .TRUE.\n CGRID_CONC_UNIT( IGRID ) = 'm2 m-3'\n CGRID_CONC_DESC( IGRID ) = 'PM Surface Area Concentration of ' // CGRID_NAME(IGRID)\n END IF\n DO JSPC = 1,N_AE_DEPV\n IF ( AE_DEPV_MAP( JSPC ) .EQ. ISPC ) THEN\n IDEPV = IDEPV + 1\n MAP_DEPVtoCGRID( IDEPV ) = IGRID\n END IF\n END DO\n DO JSPC = 1,N_AE_WDEP\n IF ( AE_WDEP_MAP( JSPC ) .EQ. ISPC ) THEN\n IWDEP = IWDEP + 1\n MAP_WDEPtoCGRID( IWDEP ) = IGRID\n END IF\n ENDDO\n CGRID_UNITS( IGRID ) = 'ug m-3'\n IF ( INDEX( AE_SPC( ISPC ),'NUM') .NE. 0 ) THEN \n CGRID_MASK_NUM( IGRID ) = .TRUE.\n CGRID_UNITS( IGRID ) = 'm-3'\n END IF\n IF ( INDEX( AE_SPC( ISPC ),'SRF') .NE. 0 ) THEN\n CGRID_MASK_SRF( IGRID ) = .TRUE.\n CGRID_UNITS( IGRID ) = 'm2 m-3'\n END IF\n END DO\n \n ! Set Masks for Nonreactive Variables\n DO ISPC = 1,n_nr_spc\n IGRID = IGRID + 1\n CGRID_NAME( IGRID ) = NR_SPC( ISPC )\n CGRID_UNITS( IGRID ) = 'ppmV'\n CGRID_MW( IGRID ) = NR_MOLWT( ISPC )\n CGRID_MASK_NR( IGRID ) = .TRUE.\n CGRID_CONC_UNIT( IGRID ) = 'ppmV'\n CGRID_UNITS( IGRID ) = 'ppmV'\n CGRID_CONC_DESC( IGRID ) = 'Molar Mixing Ratio of ' // CGRID_NAME(IGRID)\n DO JSPC = 1,N_NR_DEPV\n IF ( NR_DEPV_MAP( JSPC ) .EQ. ISPC ) THEN\n IDEPV = IDEPV + 1\n MAP_DEPVtoCGRID( IDEPV ) = IGRID\n END IF\n END DO\n DO JSPC = 1,N_NR_WDEP\n IF ( NR_WDEP_MAP( JSPC ) .EQ. ISPC ) THEN\n IWDEP = IWDEP + 1\n MAP_WDEPtoCGRID( IWDEP ) = IGRID\n END IF\n ENDDO\n END DO\n\n ! Set Masks for Tracers\n DO ISPC = 1,n_tr_spc\n IGRID = IGRID + 1\n CGRID_NAME( IGRID ) = TR_SPC( ISPC )\n CGRID_UNITS( IGRID ) = 'ppmV'\n CGRID_MW( IGRID ) = TR_MOLWT( ISPC )\n CGRID_MASK_TRAC( IGRID ) = .TRUE.\n CGRID_CONC_UNIT( IGRID ) = 'ppmV'\n CGRID_UNITS( IGRID ) = 'ppmV'\n CGRID_CONC_DESC( IGRID ) = 'Molar Mixing Ratio of ' // CGRID_NAME(IGRID)\n DO JSPC = 1,N_TR_DEPV\n IF ( TR_DEPV_MAP( JSPC ) .EQ. ISPC ) THEN\n IDEPV = IDEPV + 1\n MAP_DEPVtoCGRID( IDEPV ) = IGRID\n END IF\n END DO\n DO JSPC = 1,N_TR_WDEP\n IF ( TR_WDEP_MAP( JSPC ) .EQ. ISPC ) THEN\n IWDEP = IWDEP + 1\n MAP_WDEPtoCGRID( IWDEP ) = IGRID\n END IF\n ENDDO\n END DO\n\n N_SPC_WDEP = IWDEP\n N_SPC_DEPV = IDEPV\n\n return\n\n end function cgrid_spcs_init\n\nc----------------------------------------------------------------------------------------\n FUNCTION GET_LOGICAL_NML( OP_FLAG ) RESULT ( LFLAG )\n\n IMPLICIT NONE\n\n CHARACTER( 16 ) :: OP_FLAG\n LOGICAL :: LFLAG\n\n LFLAG = .FALSE.\n\n IF ( OP_FLAG .EQ. 'yes' .OR. OP_FLAG .EQ. 'Yes' .OR.\n & OP_FLAG .EQ. 'YES' .OR. OP_FLAG .EQ. 'Y' .OR.\n & OP_FLAG .EQ. 'y' .OR. OP_FLAG .EQ. 'T' .OR.\n & OP_FLAG .EQ. 't' .OR. OP_FLAG .EQ. 'on' .OR.\n & OP_FLAG .EQ. 'On' .OR. OP_FLAG .EQ. 'ON' .OR.\n & OP_FLAG .EQ. '1' ) \n & LFLAG = .TRUE.\n \n RETURN\n\n END FUNCTION GET_LOGICAL_NML\n\nc----------------------------------------------------------------------------------------\n subroutine bubble ( n, ia, aa )\n\n use UTILIO_DEFN\n\n implicit none\n\n integer, intent( in ) :: n\n integer, intent( in out ) :: ia( n )\n character( * ), intent( in out ) :: aa( n )\n character( 8 ) :: at\n integer i, it\n logical :: no_swap\n\n do\n no_swap = .true.\n do i = 1, n - 1\n if ( ia( i ) .gt. ia( i+1 ) ) then\n it = ia( i ); ia( i ) = ia( i+1 ); ia( i+1 ) = it\n at = aa( i ); aa( i ) = aa( i+1 ); aa( i+1 ) = at\n no_swap = .false.\n end if\n end do\n if ( no_swap ) exit\n end do\n\n it = 0\n do i = 1, n\n if ( ia( i ) .gt. 0 ) then\n it = it + 1\n ia( i ) = it\n else\n aa( i ) = ' '\n end if\n end do\n\nc compress list; move blanks to end\n it = 1\n do i = 1, n\n if ( aa( i ) .ne. ' ' ) then\n aa( it ) = aa( i )\n ia( it ) = ia( i )\n it = it + 1\n end if\n end do\n do i = it, n\n aa( i ) = ' '\n ia( i ) = 0\n end do\n\n return\n end subroutine bubble\n\nc----------------------------------------------------------------------------------------\n integer function index1a ( name, n, nlist )\n implicit none\n character( * ) name ! character string being searched for\n integer n ! length of array to be searched\n character( * ) nlist( : ) ! array to be searched\n\n integer i\n\n do i = 1, n\n if ( name .eq. nlist( i ) ) then\n index1a = i\n return\n end if\n end do\n index1a = 0\n return\n\n end function index1a\n\n end module cgrid_spcs\n\n" }, { "path": "CCTM/src/spcs/cgrid_spcs_nml/CGRID_SPCS_TYPES.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nc:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n module cgrid_spcs_types\n\n implicit none\n\n save\n\n ! Namelist Registry Format for Gases and Nonreactives\n TYPE SPECIES_DATA_REG_1\n CHARACTER( 16 ) :: SPECIES_NAME ! CMAQ Species Name\n REAL :: MOLWT ! g mol-1\n CHARACTER( 16 ) :: IC_SURR ! IC Surrogate\n REAL :: IC_FAC ! IC Scale Factor\n CHARACTER( 16 ) :: BC_SURR ! BC Surrogate\n REAL :: BC_FAC ! BC Scale Factor\n CHARACTER( 16 ) :: DEPV_SURR ! Dry Deposition Surrogate\n REAL :: DEPV_FAC ! Dry Deposition Scale Factor\n CHARACTER( 16 ) :: SCAV_SURR ! Wet Scavenging Surrogate\n REAL :: SCAV_FAC ! Wet Scavenging Scale Factor\n CHARACTER( 16 ) :: AERO_SURR ! Aerosol Module Surrogate\n CHARACTER( 16 ) :: CLOUD_SURR ! Cloud Chemistry Surrogate\n CHARACTER( 16 ) :: TRNS_FLAG ! Do Transport (ADV + DIFF)?\n CHARACTER( 16 ) :: DDEP_FLAG ! Output Dry Deposition Velocities\n CHARACTER( 16 ) :: WDEP_FLAG ! Output Wet Scavenging Fluxes\n CHARACTER( 16 ) :: CONC_FLAG ! Output Concentration\n END TYPE SPECIES_DATA_REG_1\n \n ! Namelist Registry Format for Aerosols\n TYPE SPECIES_DATA_REG_2\n CHARACTER( 16 ) :: SPECIES_NAME ! CMAQ Species Name\n REAL :: MOLWT ! g mol-1\n LOGICAL :: LAIT ! Aitken-Mode Presence\n LOGICAL :: LACC ! Accumulation -Mode Presence\n LOGICAL :: LCOR ! Coarse-Mode Presence\n CHARACTER( 16 ) :: OPTICS_SURR ! material's refractive index surrogate\n CHARACTER( 16 ) :: IC_SURR ! IC Surrogate\n REAL :: IC_FAC ! IC Scale Factor\n CHARACTER( 16 ) :: BC_SURR ! BC Surrogate\n REAL :: BC_FAC ! BC Scale Factor\n CHARACTER( 16 ) :: DEPV_SURR ! Dry Deposition Surrogate\n REAL :: DEPV_FAC ! Dry Deposition Scale Factor\n CHARACTER( 16 ) :: SCAV_SURR ! Wet Scavenging Surrogate\n REAL :: SCAV_FAC ! Wet Scavenging Scale Factor\n CHARACTER( 16 ) :: CLOUD_SURR ! Cloud Chemistry Surrogate\n CHARACTER( 16 ) :: TRNS_FLAG ! Do Transport?\n CHARACTER( 16 ) :: DDEP_FLAG ! Output Dry Deposition Velocities\n CHARACTER( 16 ) :: WDEP_FLAG ! Output Wet Scavenging Fluxes\n CHARACTER( 16 ) :: CONC_FLAG ! Output Concentration\n END TYPE SPECIES_DATA_REG_2\n\n ! Namelist Registry Format for Tracers\n TYPE SPECIES_DATA_REG_3\n CHARACTER( 16 ) :: SPECIES_NAME ! CMAQ Species Name\n REAL :: MOLWT ! g mol-1\n CHARACTER( 16 ) :: IC_SURR ! IC Surrogate\n REAL :: IC_FAC ! IC Scale Factor\n CHARACTER( 16 ) :: BC_SURR ! BC Surrogate\n REAL :: BC_FAC ! BC Scale Factor\n CHARACTER( 16 ) :: DEPV_SURR ! Dry Deposition Surrogate\n REAL :: DEPV_FAC ! Dry Deposition Scale Factor\n CHARACTER( 16 ) :: SCAV_SURR ! Wet Scavenging Surrogate\n REAL :: SCAV_FAC ! Wet Scavenging Scale Factor\n CHARACTER( 16 ) :: AERO_SURR ! Aerosol Module Surrogate\n CHARACTER( 16 ) :: CLOUD_SURR ! Cloud Chemistry Surrogate\n CHARACTER( 16 ) :: ADVC_FLAG ! Do Advection?\n CHARACTER( 16 ) :: DIFF_FLAG ! Do Dispersion (i.e. Diffusion)?\n CHARACTER( 16 ) :: DDEP_FLAG ! Output Dry Deposition Velocities\n CHARACTER( 16 ) :: WDEP_FLAG ! Output Wet Scavenging Fluxes\n CHARACTER( 16 ) :: CONC_FLAG ! Output Concentration\n END TYPE SPECIES_DATA_REG_3\n\n TYPE (SPECIES_DATA_REG_2), ALLOCATABLE :: AE_SPECIES_DATA(:)\n\n END MODULE CGRID_SPCS_TYPES\n" }, { "path": "CCTM/src/stm/STM_MODULE.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n Module stm_module\n\nC Contains:\nC Subroutines stm_wrap_ae\nC stm_wrap_gas\n\nC Revision History:\nC SR 12/13/2018 Initial version\n\nC----------------------------------------------------------------------\n\n Implicit None\n\n Logical, Private, Save :: stm_mapped = .False.\n\n Real, Allocatable :: aero_conc( :,: ) ! aero species concentration [ ug/m^3 ]\n\n Contains\n\nC-----------------------------------------------------------------------\n Subroutine stm_wrap_ae ( cgrid, jdate, jtime )\n\nC capture changes from aero proc (changes in aso4 from new particle\nC formation and condensation)\n\nC Revision History:\nC Initial version - 6/5/19 - Shawn Roselle\nC\nC-----------------------------------------------------------------------\n Use grid_conf, Only: ncols, nrows, nlays\n Use runtime_vars, Only: adj_stmspc\n Use aero_budget, Only: aero_cond, aero_npf\n Use aero_data, Only : aso4_idx, aso4aqh2o2_idx, aso4aqo3_idx,\n & aso4aqfemn_idx, aso4aqmhp_idx, aso4aqpaa_idx,\n & aso4gas_idx, aso4emis_idx, aso4icbc_idx,\n & oso4aqh2o2_idx, oso4aqo3_idx, oso4aqfemn_idx,\n & oso4aqmhp_idx, oso4aqpaa_idx, oso4_idx,\n & oso4gas_idx, oso4emis_idx, oso4icbc_idx,\n & aerospc_map, aerospc_mw, aerospc,\n & n_mode, ae6isoa,\n & findAero\n Use stm_vars, Only: organosulf\n\n Implicit None\n\nC Arguments\n\n Real, Pointer :: cgrid( :,:,:,: )\n\n Integer, Intent( In ) :: jdate\n Integer, Intent( In ) :: jtime\n\nC Local variables\n\n Integer c, r, l, m\n\n Real aso4tot, oso4tot\n Real mscor\n\n Do c = 1, ncols\n Do r = 1, nrows\n Do l = 1, nlays\n\nC extract aerosol species from CGRID\n\n Call stm_extract_aero ( cgrid( c,r,l,: ) )\n\n Do m = 1, n_mode\n aero_conc( aso4gas_idx, m ) =\n & Max( ( aero_conc( aso4gas_idx, m )\n & + aero_cond( c,r,l,aerospc_map( aso4_idx,m ) )\n & + aero_npf ( c,r,l,aerospc_map( aso4_idx,m ) ) ),\n & aerospc( aso4gas_idx )%min_conc( m ) )\n End Do\n\nC normalize tracked sulfate species to total modeled sulfate\n\n If ( adj_stmspc ) Then\n\n Do m = 1, n_mode\n\n aso4tot = aero_conc( aso4gas_idx, m )\n & + aero_conc( aso4emis_idx,m )\n & + aero_conc( aso4icbc_idx,m )\n\nC... for the accumulation mode, add aqueous tracked species\n\n If ( m .Eq. 2 ) Then\n\n aso4tot = aso4tot\n & + aero_conc( aso4aqh2o2_idx,m )\n & + aero_conc( aso4aqo3_idx, m )\n & + aero_conc( aso4aqfemn_idx,m )\n & + aero_conc( aso4aqmhp_idx, m )\n & + aero_conc( aso4aqpaa_idx, m )\n\n End If\n\nC... normalize sulfur tracking species\n\n If ( aso4tot .Gt. 0.0 ) Then\n\n aso4tot = Max( aso4tot,\n & aerospc( aso4_idx )%min_conc( m ) )\n mscor = Max( aero_conc( aso4_idx, m ),\n & aerospc( aso4_idx )%min_conc( m ) )\n & / aso4tot\n\n aero_conc( aso4gas_idx, m ) =\n & Max( aero_conc( aso4gas_idx, m ) * mscor,\n & aerospc( aso4gas_idx )%min_conc( m ) )\n aero_conc( aso4emis_idx, m ) =\n & Max( aero_conc( aso4emis_idx, m ) * mscor,\n & aerospc( aso4emis_idx )%min_conc( m ) )\n aero_conc( aso4icbc_idx, m ) =\n & Max( aero_conc( aso4icbc_idx, m ) * mscor,\n & aerospc( aso4icbc_idx )%min_conc( m ) )\n\nC... for the accumulation mode, adjust aqueous tracked species\n\n If ( m .Eq. 2 ) Then\n aero_conc( aso4aqh2o2_idx, m ) =\n & Max( aero_conc( aso4aqh2o2_idx, m ) * mscor,\n & aerospc( aso4aqh2o2_idx )%min_conc( m ) )\n aero_conc( aso4aqo3_idx, m ) =\n & Max( aero_conc( aso4aqo3_idx, m ) * mscor,\n & aerospc( aso4aqo3_idx )%min_conc( m ) )\n aero_conc( aso4aqfemn_idx, m ) =\n & Max( aero_conc( aso4aqfemn_idx, m ) * mscor,\n & aerospc( aso4aqfemn_idx )%min_conc( m ) )\n aero_conc( aso4aqmhp_idx, m ) =\n & Max( aero_conc( aso4aqmhp_idx, m ) * mscor,\n & aerospc( aso4aqmhp_idx )%min_conc( m ) )\n aero_conc( aso4aqpaa_idx, m ) =\n & Max( aero_conc( aso4aqpaa_idx, m ) * mscor,\n & aerospc( aso4aqpaa_idx )%min_conc( m ) )\n End If\n\n End If\n\n If ( organosulf ) Then\n\nC... in the current implementation of heterogeneous chemistry,\nC... only the accumulation mode sulfate can be converted to organosulfate\n\n If ( m .Eq. 2 ) Then\n oso4tot = aero_conc( oso4gas_idx, m )\n & + aero_conc( oso4emis_idx,m )\n & + aero_conc( oso4icbc_idx,m )\n & + aero_conc( oso4aqh2o2_idx,m )\n & + aero_conc( oso4aqo3_idx, m )\n & + aero_conc( oso4aqfemn_idx,m )\n & + aero_conc( oso4aqmhp_idx, m )\n & + aero_conc( oso4aqpaa_idx, m )\n\n If ( oso4tot .Gt. 0.0 ) Then\n\n oso4tot = Max( oso4tot,\n & aerospc( oso4_idx )%min_conc( m ) )\n mscor = Max( aero_conc( oso4_idx, m ),\n & aerospc( oso4_idx )%min_conc( m ) )\n & / oso4tot\n\n aero_conc( oso4gas_idx, m ) =\n & Max( aero_conc( oso4gas_idx, m ) * mscor,\n & aerospc( oso4gas_idx )%min_conc( m ) )\n aero_conc( oso4emis_idx, m ) =\n & Max( aero_conc( oso4emis_idx, m ) * mscor,\n & aerospc( oso4emis_idx )%min_conc( m ) )\n aero_conc( oso4icbc_idx, m ) =\n & Max( aero_conc( oso4icbc_idx, m ) * mscor,\n & aerospc( oso4icbc_idx )%min_conc( m ) )\n aero_conc( oso4aqh2o2_idx, m ) =\n & Max( aero_conc( oso4aqh2o2_idx, m ) * mscor,\n & aerospc( oso4aqh2o2_idx )%min_conc( m ) )\n aero_conc( oso4aqo3_idx, m ) =\n & Max( aero_conc( oso4aqo3_idx, m ) * mscor,\n & aerospc( oso4aqo3_idx )%min_conc( m ) )\n aero_conc( oso4aqfemn_idx, m ) =\n & Max( aero_conc( oso4aqfemn_idx, m ) * mscor,\n & aerospc( oso4aqfemn_idx )%min_conc( m ) )\n aero_conc( oso4aqmhp_idx, m ) =\n & Max( aero_conc( oso4aqmhp_idx, m ) * mscor,\n & aerospc( oso4aqmhp_idx )%min_conc( m ) )\n aero_conc( oso4aqpaa_idx, m ) =\n & Max( aero_conc( oso4aqpaa_idx, m ) * mscor,\n & aerospc( oso4aqpaa_idx )%min_conc( m ) )\n\n End If\n End If\n End If\n\n End Do\n\n End If\n\nC update aerosol species in CGRID\n\n Call stm_update_aero ( cgrid( c,r,l,: ) )\n\n End Do\n End Do\n End Do\n\n Return\n\n End Subroutine stm_wrap_ae\n\n\nC-----------------------------------------------------------------------\n Subroutine stm_wrap_gas ( cgrid, jdate, jtime, b4chem )\n\nC capture changes in aso4 from gas phase chemistry\nC in the current release, ASO4 can be lost in gas chem to form organo-sulfate\nC\nC Initial version - 6/5/19 - Shawn Roselle\nC-----------------------------------------------------------------------\n\n Use grid_conf, Only: ncols, nrows, nlays\n Use utilio_defn\n Use aero_data, Only : aso4_idx, aso4aqh2o2_idx, aso4aqo3_idx,\n & aso4aqfemn_idx, aso4aqmhp_idx, aso4aqpaa_idx,\n & aso4gas_idx, aso4emis_idx, aso4icbc_idx,\n & oso4aqh2o2_idx, oso4aqo3_idx, oso4aqfemn_idx,\n & oso4aqmhp_idx, oso4aqpaa_idx, oso4_idx,\n & oso4gas_idx, oso4emis_idx, oso4icbc_idx,\n & aerospc, n_mode, ae6isoa\n Use stm_vars, Only: organosulf\n\n Implicit None\n\nC Arguments\n\n Real, Pointer :: cgrid( :,:,:,: )\n\n Integer, Intent( In ) :: jdate\n Integer, Intent( In ) :: jtime\n Logical, Intent( In ) :: b4chem\n\nC local variables\n\n Character( 16 ) :: pname = 'STM_WRAP_GAS'\n Character( 96 ) :: xmsg = ' '\n\n Logical, Save :: firstime = .True.\n\n Integer c, r, l, m\n Integer allocstat\n\n Real fso4, omfso4\n Real, Save, Allocatable :: so4b4( :,:,:,: )\n\nC-----------------------------------------------------------------------\nC begin body of subroutine stm_wrap_gas\n\n If ( firstime ) Then\n\n Allocate ( so4b4( ncols, nrows, nlays, n_mode ),\n & Stat = allocstat )\n If ( allocstat .Ne. 0 ) Then\n xmsg = 'Failure allocating so4_b4 '\n Call m3exit( pname, jdate, jtime, xmsg, xstat1 )\n End If\n\n firstime = .False.\n\n End If\n\n if ( .not. organosulf ) Return\n\nC capture the loss of ASO4J to organosulfate\n m = 2 ! in the current implementation of heterogeneous chemistry,\n ! only accumulation mode sulfate can be converted to organosulfate\n\nC save ASO4 concentrations before call to CHEM\n If ( b4chem ) Then\n\n Do c = 1, ncols\n Do r = 1, nrows\n Do l = 1, nlays\n\nC extract aerosol species from CGRID\n Call stm_extract_aero ( cgrid( c,r,l,: ) )\n\n so4b4( c,r,l,m ) = Max( aero_conc( aso4_idx, m ),\n & aerospc( aso4_idx )%min_conc( m ) )\n\n End Do\n End Do\n End Do\n\nC scale sulfur tracking species by change in ASO4J following call to CHEM\n Else\n\n Do c = 1, ncols\n Do r = 1, nrows\n Do l = 1, nlays\n\nC extract aerosol species from CGRID\n Call stm_extract_aero ( cgrid( c,r,l,: ) )\n\n If ( ( aero_conc( aso4_idx, m ) .Ne. so4b4( c,r,l,m ) ) .And.\n & ( so4b4( c,r,l,m ) .Gt. 0.0 ) ) Then\n\nC fractional change in ASO4J\n fso4 = Max( aero_conc( aso4_idx, m ),\n & aerospc( aso4_idx )%min_conc( m ) )\n & / so4b4( c,r,l,m )\n omfso4 = 1.0 - fso4\n\n aero_conc( oso4_idx, m ) =\n & Max( ( aero_conc( oso4_idx, m )\n & + ( so4b4( c,r,l,m ) - aero_conc( aso4_idx, m ) ) ),\n & aerospc( oso4_idx )%min_conc( m ) )\n\n aero_conc( oso4gas_idx, m ) =\n & Max( ( aero_conc( oso4gas_idx, m )\n & + aero_conc( aso4gas_idx, m ) * omfso4 ),\n & aerospc( oso4gas_idx )%min_conc( m ) )\n aero_conc( oso4emis_idx, m ) =\n & Max( ( aero_conc( oso4emis_idx, m )\n & + aero_conc( aso4emis_idx, m ) * omfso4 ),\n & aerospc( oso4emis_idx )%min_conc( m ) )\n aero_conc( oso4icbc_idx, m ) =\n & Max( ( aero_conc( oso4icbc_idx, m )\n & + aero_conc( aso4icbc_idx, m ) * omfso4 ),\n & aerospc( oso4icbc_idx )%min_conc( m ) )\n aero_conc( oso4aqh2o2_idx, m ) =\n & Max( ( aero_conc( oso4aqh2o2_idx, m )\n & + aero_conc( aso4aqh2o2_idx, m ) * omfso4 ),\n & aerospc( oso4aqh2o2_idx )%min_conc( m ) )\n aero_conc( oso4aqo3_idx, m ) =\n & Max( ( aero_conc( oso4aqo3_idx, m )\n & + aero_conc( aso4aqo3_idx, m ) * omfso4 ),\n & aerospc( oso4aqo3_idx )%min_conc( m ) )\n aero_conc( oso4aqfemn_idx, m ) =\n & Max( ( aero_conc( oso4aqfemn_idx, m )\n & + aero_conc( aso4aqfemn_idx, m ) * omfso4 ),\n & aerospc( oso4aqfemn_idx )%min_conc( m ) )\n aero_conc( oso4aqmhp_idx, m ) =\n & Max( ( aero_conc( oso4aqmhp_idx, m )\n & + aero_conc( aso4aqmhp_idx, m ) * omfso4 ),\n & aerospc( oso4aqmhp_idx )%min_conc( m ) )\n aero_conc( oso4aqpaa_idx, m ) =\n & Max( ( aero_conc( oso4aqpaa_idx, m )\n & + aero_conc( aso4aqpaa_idx, m ) * omfso4 ),\n & aerospc( oso4aqpaa_idx )%min_conc( m ) )\n\nc reduce tracked inorganic species by amount converted to organosulfate\n aero_conc( aso4gas_idx, m ) =\n & Max( aero_conc( aso4gas_idx, m ) * fso4,\n & aerospc( aso4gas_idx )%min_conc( m ) )\n aero_conc( aso4emis_idx, m ) =\n & Max( aero_conc( aso4emis_idx, m ) * fso4,\n & aerospc( aso4emis_idx )%min_conc( m ) )\n aero_conc( aso4icbc_idx, m ) =\n & Max( aero_conc( aso4icbc_idx, m ) * fso4,\n & aerospc( aso4icbc_idx )%min_conc( m ) )\n aero_conc( aso4aqh2o2_idx, m ) =\n & Max( aero_conc( aso4aqh2o2_idx, m ) * fso4,\n & aerospc( aso4aqh2o2_idx )%min_conc( m ) )\n aero_conc( aso4aqo3_idx, m ) =\n & Max( aero_conc( aso4aqo3_idx, m ) * fso4,\n & aerospc( aso4aqo3_idx )%min_conc( m ) )\n aero_conc( aso4aqfemn_idx, m ) =\n & Max( aero_conc( aso4aqfemn_idx, m ) * fso4,\n & aerospc( aso4aqfemn_idx )%min_conc( m ) )\n aero_conc( aso4aqmhp_idx, m ) =\n & Max( aero_conc( aso4aqmhp_idx, m ) * fso4,\n & aerospc( aso4aqmhp_idx )%min_conc( m ) )\n aero_conc( aso4aqpaa_idx, m ) =\n & Max( aero_conc( aso4aqpaa_idx, m ) * fso4,\n & aerospc( aso4aqpaa_idx )%min_conc( m ) )\n End If\n\nC update aerosol species in CGRID\n\n Call stm_update_aero ( cgrid( c,r,l,: ) )\n\n End Do\n End Do\n End Do\n\n End If\n Return\n\n End Subroutine stm_wrap_gas\n\nC-----------------------------------------------------------------------\n Subroutine stm_extract_aero( conc )\n\nC Extracts aerosol data into the aero_conc array\nC The original idea is that the data for conc comes from CGRID\n\nC Revision History:\nC First version was coded in April 2010 by Steve Howard with\nC Prakash Bhave, Jeff Young, and Sergey Napelenok.\nC 6/25/19 streamlined version of extract_aero borrowed from AERO_DATA\nC-----------------------------------------------------------------------\n\n Use aero_data, Only : n_aerospc, aerospc_map, n_mode\n\n Implicit None\n\nC Arguments:\n Real, Intent( In ) :: conc( : )\n\nC Local Variables:\n Logical, Save :: firstime = .True.\n\n Integer m, n, spc\n\n If ( .Not. stm_mapped ) Then\n Call stm_map_aero()\n End If\n\nC Copy grid cell concentrations of aero species to aero_conc\n aero_conc = 0.0\n Do m = 1, n_mode\n Do spc = 1, n_aerospc\n n = aerospc_map( spc,m )\n If ( n .Ne. 0 ) Then\n aero_conc( spc,m ) = conc( n ) ! [ug/m^3]\n End If\n End Do\n End Do\n\n Return\n End Subroutine stm_extract_aero\n\nC-----------------------------------------------------------------------\n Subroutine stm_update_aero( conc )\n\nC Updates conc from the aero_conc array.\nC The original idea is that the data in conc updates CGRID\nC stm_update_aero now also saves the updated surface area back to CGRID as\nC well.\n\nC Revision History:\nC First version was coded in April 2010 by Steve Howard with\nC Prakash Bhave, Jeff Young, and Sergey Napelenok.\nC 6/25/19 streamlined version of update_aero borrowed from AERO_DATA\nC-----------------------------------------------------------------------\n\n Use aero_data, Only : n_aerospc, aerospc_map, n_mode\n\n Use utilio_defn\n\n Implicit None\n\nC Arguments:\n Real, Intent( Out ) :: conc( : )\n\nC Local variables:\n\n Character( 16 ) :: pname = 'STM_WRAP_GAS'\n Character( 80 ) :: xmsg\n\n Integer m, n, spc\n\n If ( .Not. stm_mapped ) Then\n xmsg = 'CGRID Species has not been mapped in stm_update_aero'\n Call m3exit( pname, 0, 0, xmsg, xstat3 )\n End If\n\nC Copy aero_conc back to grid cell concentrations\n\n Do m = 1, n_mode\n Do spc = 1, n_aerospc\n n = aerospc_map( spc,m )\n If ( n .Ne. 0 ) Then\n conc( n ) = aero_conc( spc,m )\n End If\n End Do\n End Do\n\n Return\n End Subroutine stm_update_aero\n\nC-----------------------------------------------------------------------\n Subroutine stm_map_aero()\n\nC Defines aerosol mapping from CGRID for species\n\nC Revision History:\nC First version was coded in April 2010 by Steve Howard with\nC Prakash Bhave, Jeff Young, and Sergey Napelenok.\nC 6/25/19 streamlined version of map_aero borrowed from AERO_DATA\nC-----------------------------------------------------------------------\n\n Use aero_data, Only : n_aerospc, map_aero, n_mode\n\n Implicit None\n\n If ( stm_mapped ) Return\n\nC...map the aerosol species using map_aero in the AERO_DATA module\n Call map_aero()\n\n Allocate ( aero_conc ( n_aerospc, n_mode ) )\n\n stm_mapped = .True.\n\n Return\n End Subroutine stm_map_aero\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n\n End Module stm_module\n" }, { "path": "CCTM/src/stm/STM_VARS.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n Module stm_vars\n\nC Contains:\nC\nC Revision History:\nC SR 07/2/2019 Initial version\n\nC----------------------------------------------------------------------\n\n Implicit None\n\n Integer, Parameter :: N_STM_AE_SPC = 14 ! number of stm ae species\n Integer, Parameter :: N_STM_OAE_SPC = 9 ! number of stm oae species\n Integer, Parameter :: N_STM_NR_SPC = 1 ! number of stm nr species\n\n Logical, Save :: organosulf = .False.\n\nC Define value as Y and N for the spc tables\n CHARACTER( 16 ), Parameter, Private :: Y = 'Yes'\n CHARACTER( 16 ), Parameter, Private :: N = 'No'\n\n ! Equivalent to the Namelist Registry Format for Gases and Nonreactives\n TYPE STM_SPC_DATA_1\n CHARACTER( 16 ) :: SPECIES_NAME ! CMAQ Species Name\n REAL :: MOLWT ! g mol-1\n CHARACTER( 16 ) :: IC_SURR ! IC Surrogate\n REAL :: IC_FAC ! IC Scale Factor\n CHARACTER( 16 ) :: BC_SURR ! BC Surrogate\n REAL :: BC_FAC ! BC Scale Factor\n CHARACTER( 16 ) :: DEPV_SURR ! Dry Deposition Surrogate\n REAL :: DEPV_FAC ! Dry Deposition Scale Factor\n CHARACTER( 16 ) :: SCAV_SURR ! Wet Scavenging Surrogate\n REAL :: SCAV_FAC ! Wet Scavenging Scale Factor\n CHARACTER( 16 ) :: AERO_SURR ! Aerosol Module Surrogate\n CHARACTER( 16 ) :: CLOUD_SURR ! Cloud Chemistry Surrogate\n CHARACTER( 16 ) :: TRNS_FLAG ! Do Transport (ADV + DIFF)?\n CHARACTER( 16 ) :: DDEP_FLAG ! Output Dry Deposition Velocities\n CHARACTER( 16 ) :: WDEP_FLAG ! Output Wet Scavenging Fluxes\n CHARACTER( 16 ) :: CONC_FLAG ! Output Concentration\n END TYPE STM_SPC_DATA_1\n\n ! Equivalent to the Namelist Registry Format for Aerosols\n TYPE STM_SPC_DATA_2\n CHARACTER( 16 ) :: SPECIES_NAME ! CMAQ Species Name\n REAL :: MOLWT ! g mol-1\n CHARACTER( 16 ) :: IC_SURR ! IC Surrogate\n REAL :: IC_FAC ! IC Scale Factor\n CHARACTER( 16 ) :: BC_SURR ! BC Surrogate\n REAL :: BC_FAC ! BC Scale Factor\n CHARACTER( 16 ) :: DEPV_SURR ! Dry Deposition Surrogate\n REAL :: DEPV_FAC ! Dry Deposition Scale Factor\n CHARACTER( 16 ) :: SCAV_SURR ! Wet Scavenging Surrogate\n REAL :: SCAV_FAC ! Wet Scavenging Scale Factor\n CHARACTER( 16 ) :: CLOUD_SURR ! Cloud Chemistry Surrogate\n CHARACTER( 16 ) :: TRNS_FLAG ! Do Transport?\n CHARACTER( 16 ) :: DDEP_FLAG ! Output Dry Deposition Velocities\n CHARACTER( 16 ) :: WDEP_FLAG ! Output Wet Scavenging Fluxes\n CHARACTER( 16 ) :: CONC_FLAG ! Output Concentration\n END TYPE STM_SPC_DATA_2\n\n TYPE (STM_SPC_DATA_2), Parameter :: STM_AE_SPECIES_DATA(N_STM_AE_SPC) = (/\nC DRYDEP SURR DDEP\nC ICFAC BCFAC | TRNS | WDEP\nC SPECIES MW IC | BC | | FAC WET-SCAV SURR FAC AE2AQ SURR | | | CONC \nC ------------ ---- ------- -+- ------- -+- ----+--- --- --------------- --- ------------------ + + + =\n & STM_SPC_DATA_2('ASO4AQH2O2J',96.0,'' ,0.0,'' ,0.0,'VMASSJ',1.0,'TRACER_ACCUM' ,1.0,'SO4_AQH2O2_ACCUM',Y,Y,Y,Y), \n & STM_SPC_DATA_2('ASO4AQO3J' ,96.0,'' ,0.0,'' ,0.0,'VMASSJ',1.0,'TRACER_ACCUM' ,1.0,'SO4_AQO3_ACCUM' ,Y,Y,Y,Y),\n & STM_SPC_DATA_2('ASO4AQFEMNJ',96.0,'' ,0.0,'' ,0.0,'VMASSJ',1.0,'TRACER_ACCUM' ,1.0,'SO4_AQFEMN_ACCUM',Y,Y,Y,Y),\n & STM_SPC_DATA_2('ASO4AQMHPJ' ,96.0,'' ,0.0,'' ,0.0,'VMASSJ',1.0,'TRACER_ACCUM' ,1.0,'SO4_AQMHP_ACCUM' ,Y,Y,Y,Y),\n & STM_SPC_DATA_2('ASO4AQPAAJ' ,96.0,'' ,0.0,'' ,0.0,'VMASSJ',1.0,'TRACER_ACCUM' ,1.0,'SO4_AQPAA_ACCUM' ,Y,Y,Y,Y),\n & STM_SPC_DATA_2('ASO4GASJ' ,96.0,'' ,0.0,'' ,0.0,'VMASSJ',1.0,'TRACER_ACCUM' ,1.0,'TRACER_ACCUM' ,Y,Y,Y,Y),\n & STM_SPC_DATA_2('ASO4EMISJ' ,96.0,'' ,0.0,'' ,0.0,'VMASSJ',1.0,'TRACER_ACCUM' ,1.0,'TRACER_ACCUM' ,Y,Y,Y,Y),\n & STM_SPC_DATA_2('ASO4ICBCJ' ,96.0,'ASO4J',1.0,'ASO4J',1.0,'VMASSJ',1.0,'TRACER_ACCUM' ,1.0,'TRACER_ACCUM' ,Y,Y,Y,Y),\n & STM_SPC_DATA_2('ASO4GASI' ,96.0,'' ,0.0,'' ,0.0,'VMASSI',1.0,'TRACER_AITKEN',1.0,'TRACER_AITKEN' ,Y,Y,Y,Y),\n & STM_SPC_DATA_2('ASO4EMISI' ,96.0,'' ,0.0,'' ,0.0,'VMASSI',1.0,'TRACER_AITKEN',1.0,'TRACER_AITKEN' ,Y,Y,Y,Y),\n & STM_SPC_DATA_2('ASO4ICBCI' ,96.0,'ASO4I',1.0,'ASO4I',1.0,'VMASSI',1.0,'TRACER_AITKEN',1.0,'TRACER_AITKEN' ,Y,Y,Y,Y),\n & STM_SPC_DATA_2('ASO4GASK' ,96.0,'' ,0.0,'' ,0.0,'VMASSC',1.0,'TRACER_COARSE',1.0,'TRACER_COARSE' ,Y,Y,Y,Y),\n & STM_SPC_DATA_2('ASO4EMISK' ,96.0,'' ,0.0,'' ,0.0,'VMASSC',1.0,'TRACER_COARSE',1.0,'TRACER_COARSE' ,Y,Y,Y,Y),\n & STM_SPC_DATA_2('ASO4ICBCK' ,96.0,'ASO4K',1.0,'ASO4K',1.0,'VMASSC',1.0,'TRACER_COARSE',1.0,'TRACER_COARSE' ,Y,Y,Y,Y)\n & /)\n\n TYPE (STM_SPC_DATA_2), Parameter :: STM_OAE_SPECIES_DATA(N_STM_OAE_SPC) = ( /\nC DRYDEP SURR DDEP\nC ICFAC BCFAC | TRNS | WDEP\nC SPECIES MW IC | BC | | FAC WET-SCAV SURR FAC AE2AQ SURR | | | CONC \nC ------------ ---- -- -+- -- -+- ----+--- --- -------------- --- -------------- + + + +\n & STM_SPC_DATA_2('OSO4J' ,96.0,'',0.0,'',0.0,'VMASSJ',1.0,'TRACER_ACCUM',1.0,'TRACER_ACCUM',Y,Y,Y,Y),\n & STM_SPC_DATA_2('OSO4AQH2O2J',96.0,'',0.0,'',0.0,'VMASSJ',1.0,'TRACER_ACCUM',1.0,'TRACER_ACCUM',Y,Y,Y,Y),\n & STM_SPC_DATA_2('OSO4AQO3J' ,96.0,'',0.0,'',0.0,'VMASSJ',1.0,'TRACER_ACCUM',1.0,'TRACER_ACCUM',Y,Y,Y,Y),\n & STM_SPC_DATA_2('OSO4AQFEMNJ',96.0,'',0.0,'',0.0,'VMASSJ',1.0,'TRACER_ACCUM',1.0,'TRACER_ACCUM',Y,Y,Y,Y),\n & STM_SPC_DATA_2('OSO4AQMHPJ' ,96.0,'',0.0,'',0.0,'VMASSJ',1.0,'TRACER_ACCUM',1.0,'TRACER_ACCUM',Y,Y,Y,Y),\n & STM_SPC_DATA_2('OSO4AQPAAJ' ,96.0,'',0.0,'',0.0,'VMASSJ',1.0,'TRACER_ACCUM',1.0,'TRACER_ACCUM',Y,Y,Y,Y),\n & STM_SPC_DATA_2('OSO4GASJ' ,96.0,'',0.0,'',0.0,'VMASSJ',1.0,'TRACER_ACCUM',1.0,'TRACER_ACCUM',Y,Y,Y,Y),\n & STM_SPC_DATA_2('OSO4EMISJ' ,96.0,'',0.0,'',0.0,'VMASSJ',1.0,'TRACER_ACCUM',1.0,'TRACER_ACCUM',Y,Y,Y,Y),\n & STM_SPC_DATA_2('OSO4ICBCJ' ,96.0,'',0.0,'',0.0,'VMASSJ',1.0,'TRACER_ACCUM',1.0,'TRACER_ACCUM',Y,Y,Y,Y)\n & /)\n\n TYPE (STM_SPC_DATA_1), Parameter :: STM_NR_SPECIES_DATA(N_STM_NR_SPC) = (/\nC DRYDEP DDEP\nC ICFAC BCFAC SURR WET-SCAV TRNS | WDEP\nC SPECIES MW IC | BC | | FAC SURR FAC AE2AQ SURR NR2AE SURR | | | CONC \nC ---------- ---- ------ -+- ------ -+- ----+---- --- ------- --- ----------- ------------ + + + +\n & STM_SPC_DATA_1('SULF_ICBC',98.0,'SULF',1.0,'SULF',1.0,'VD_SULF',1.0,'H2SO4',1.0,'SULF_ICBC','H2SO4_ICBC',Y,Y,Y,Y)\n & /)\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n\n End Module stm_vars\n" }, { "path": "CCTM/src/twoway/twoway_aqprep.F90", "content": "SUBROUTINE aqprep (grid, config_flags, t_phy_wrf, p_phy_wrf, rho_wrf, &\n z_at_w_wrf, dz8w_wrf, p8w_wrf, t8w_wrf, &\n numlu, release_version, &\n wrf_cmaq_option, wrf_cmaq_freq, &\n ids, ide, jds, jde, kds, kde, &\n ims, ime, jms, jme, kms, kme, &\n its, ite, jts, jte, kts, kte, &\n qv_curr_wrf, & ! optional\n qc_curr_wrf, & ! optional\n qr_curr_wrf, & ! optional\n qi_curr_wrf, & ! optional\n qs_curr_wrf, & ! optional\n qg_curr_wrf ) ! optional\n\n!===============================================================================\n! Name: AQ Prep\n! Purpose: Prepare meteorological fields for air quality simulation, including\n! meteorologically dependent emissions and chemical transport\n! modeling.\n! Notes: Some algorithms taken from the Community Multiscale Air Quality\n! (CMAQ) Modeling System's Meteorology-Chemistry Interface Processor.\n! Revised: 06 Apr 2007 Original version. (T. Otte)\n! 10 Apr 2007 (David Wong)\n! -- define header_constant_data_record in header_data_module to\n! capture header constant info for met. and grid buffered files.\n! -- redefine ioffset and joffset which are the distance, in number\n! of grid cells, between the wrf and cmaq domain at the lower\n! left corner. Note: ioffset >= 5 and joffset >= 5\n! 11 Aug 2011 (David Wong)\n! -- updated to comply with CMAQ 5.0\n! 10 Jun 2013 (David Wong)\n! -- updated to NLCD40\n! 24 Sep 2013 (David Wong)\n! -- consolidated x- and y-cent calculation\n! 17 Jan 2014 (David Wong)\n! -- refomulated the xorig and yorig calculation regardless of odd \n! or even number of grid cells\n! 10 Mar 2014 (David Wong)\n! -- fixed bug in the refomulated the xorig and yorig calculation\n! 14 May 2014 (David Wong)\n! -- made a distinction between USGS 24 and USGS 33\n! 21 Jul 2014 (David Wong)\n! -- add new LU type: MODIFIED_IGBP_MODIS_NOAH and made a distinction \n! between NLCD, NLCD50 and NLCD40\n! 25 Sep 2015 (David Wong\n! -- replaced SUBST_MODULES with SE_MOdULES\n! 14 Dec 2015 (David Wong)\n! -- added assignment mminlu\n! -- updated how ioapi_header%vglvs was set w.r.t. znw's dimension \n! change\n! 28 Dec 2015 (David Wong)\n! -- added optional PV calculation which is dictated by an environment\n! variable CTM_PVO3 with default .false. value\n! 11 Jan 2016 (David Wong)\n! -- removed mminlu\n! -- resized the first dimension of the following arrays:\n! wrf_cmaq_c_send_to,\n! wrf_cmaq_c_recv_from,\n! wrf_cmaq_c_send_index_g,\n! wrf_cmaq_c_send_index_l,\n! wrf_cmaq_c_recv_index_g,\n! wrf_cmaq_c_recv_index_l,\n! wrf_cmaq_d_send_to,\n! wrf_cmaq_d_recv_from,\n! wrf_cmaq_d_send_index_g,\n! wrf_cmaq_d_send_index_l,\n! wrf_cmaq_d_recv_index_g,\n! wrf_cmaq_d_recv_index_l,\n! wrf_cmaq_ce_send_to,\n! wrf_cmaq_ce_recv_from,\n! wrf_cmaq_ce_send_index_g,\n! wrf_cmaq_ce_send_index_l,\n! wrf_cmaq_ce_recv_index_g,\n! wrf_cmaq_ce_recv_index_l,\n! wrf_cmaq_de_send_to,\n! wrf_cmaq_de_recv_from,\n! wrf_cmaq_de_send_index_g,\n! wrf_cmaq_de_send_index_l,\n! wrf_cmaq_de_recv_index_g,\n! wrf_cmaq_de_recv_index_l\n! 26 Feb 2016 (David Wong)\n! -- transformed the call pio_re_init to pio_init as routines\n! pio_re_init and pio_init have been merged into one pio_init\n! 07 Apr 2016 (David Wong)\n! -- reversed the decision of removing mminlu\n! -- removed obsolete NLCD50\n! -- set lwater = 17 and lice = 15 for NLCD40\n! 05 May 2016 (David Wong)\n! -- Calculated and output the rainfall (convective and\n! non-convect) information according to the output file time step\n! rather than the two-way model time step\n! 30 Aug 2016 (David Wong)\n! -- fixed a bug in outputing MET_CRO_2D physical file\n! 11 Jan 2017 (David Wong)\n! -- fixed a bug to handle simulation with convective scheme or not\n! 11 Jan 2018 (David Wong)\n! -- Added convective_scheme to set rainc accordingly\n! 31 Jan 2019 (David Wong)\n! -- adopted the idea to process all twoway related environment\n! variables in one place\n! 04 Feb 2019 (Tanya Spero)\n! -- updated Jacobian calculation for hybrid vertical coordinate\n! 04 Mar 2019 (Rob G. David Wong)\n! -- logic for WRF version, hybrid coord, PX variables\n! -- updated to work with PX LSM changed in WRFV4.1 that has\n! additional soil texture info and lai name change to lai_px\n! 01 Aug 2019 (David Wong)\n! -- made nprocs available for CMAQ\n! -- made two new variables, UWIND and VWIND as the wind component\n! on the mass point\n! 26 Jul 2022 (David Wong)\n! -- Added a prefix tw_ for these variables: sc, ec, sr, er sc_d, ec_d,\n! sr_d, and er_d to avoid naming conflicts\n! 16 Mar 2023 (David Wong)\n! -- fixed a bug in creating u and v components\n! 30 Apr 2024 (Tanya Spero)\n! -- Changed constraint on XORIG and YORIG for Lambert conformal\n! projections. Original constraint of 500 meters introduced an\n! error in calculating the lower-left corner that is more\n! noticeable at fine resolutions. Now using a constraint of\n! 5 meters to allow for \"neater\" XORIG and YORIG values across\n! compilers.\n!===============================================================================\n\n USE module_domain ! WRF module\n USE module_model_constants ! WRF module\n USE module_configure ! WRF module\n USE module_gfs_physcons, only : con_rerth ! WRF module\n USE module_state_description, only : PXLSMSCHEME ! WRF module\n\n USE twoway_util_module\n USE twoway_header_data_module\n USE twoway_met_param_module\n USE twoway_data_module\n USE HGRD_DEFN\n USE SE_MODULES\n\n use se_comm_info_ext\n use utilio_defn\n\n IMPLICIT NONE\n\n INCLUDE SUBST_CONST\n INCLUDE SUBST_MPI\n\n TYPE(domain), INTENT(IN) :: grid\n TYPE (grid_config_rec_type), INTENT(IN) :: config_flags\n\n REAL, INTENT(IN) :: t_phy_wrf ( ims:ime, kms:kme, jms:jme )\n REAL, INTENT(IN) :: p_phy_wrf ( ims:ime, kms:kme, jms:jme )\n REAL, INTENT(IN) :: rho_wrf ( ims:ime, kms:kme, jms:jme )\n REAL, INTENT(IN) :: z_at_w_wrf ( ims:ime, kms:kme, jms:jme )\n REAL, INTENT(IN) :: dz8w_wrf ( ims:ime, kms:kme, jms:jme )\n REAL, INTENT(IN) :: p8w_wrf ( ims:ime, kms:kme, jms:jme )\n REAL, INTENT(IN) :: t8w_wrf ( ims:ime, kms:kme, jms:jme )\n\n REAL, INTENT(IN), OPTIONAL :: qv_curr_wrf ( ims:ime, kms:kme, jms:jme )\n REAL, INTENT(IN), OPTIONAL :: qc_curr_wrf ( ims:ime, kms:kme, jms:jme )\n REAL, INTENT(IN), OPTIONAL :: qr_curr_wrf ( ims:ime, kms:kme, jms:jme )\n REAL, INTENT(IN), OPTIONAL :: qi_curr_wrf ( ims:ime, kms:kme, jms:jme )\n REAL, INTENT(IN), OPTIONAL :: qs_curr_wrf ( ims:ime, kms:kme, jms:jme )\n REAL, INTENT(IN), OPTIONAL :: qg_curr_wrf ( ims:ime, kms:kme, jms:jme )\n\n INTEGER, INTENT(IN) :: numlu\n CHARACTER(LEN=*), INTENT(IN) :: release_version\n\n INTEGER, INTENT(IN) :: wrf_cmaq_option ! WRF-CMAQ coupled model option\n ! 0 = only run WRF\n ! 1 = run WRF-CMAQ coupled model to produce\n ! GRID and MET files only\n ! 2 = run WRF-CMAQ coupled model w/o producing\n ! GRID and MET files\n ! 3 = run WRF-CMAQ coupled model w producing\n ! GRID and MET files\n INTEGER, INTENT(IN) :: wrf_cmaq_freq\n\n INTEGER, INTENT(IN) :: ids, ide, jds, jde, kds, kde\n INTEGER, INTENT(IN) :: ims, ime, jms, jme, kms, kme\n INTEGER, INTENT(IN) :: its, ite, jts, jte, kts, kte\n\n LOGICAL, PARAMETER :: def_false = .false.\n LOGICAL, SAVE :: first = .TRUE.\n\n INTEGER, SAVE :: nlays, nvars\n INTEGER, SAVE :: tstep = 0\n\n INTEGER :: ii, jj, kk, ll, iim1, jjm1, v\n INTEGER :: c, r, lcm1, lrm1, kp1\n INTEGER :: ioffset, joffset\n INTEGER :: stat, temp\n REAL, PARAMETER :: gravi = 1 / g\n REAL :: tf, qf, densf\n\n INTEGER :: loc_wrf_c_domain_map(3, 2)\n\n CHARACTER( 2 ) :: COLROW = 'CR' ! col/row arg list order for pio_init\n\n CHARACTER (LEN = 16), PARAMETER :: pname = 'aq_prep '\n\n CHARACTER (LEN = 16) :: fname, pfname\n\n! Calc for PV\n\n REAL, SAVE, ALLOCATABLE :: xuu_s ( : , : , : )\n REAL, SAVE, ALLOCATABLE :: xvv_t ( : , : , : )\n REAL, SAVE, ALLOCATABLE :: xuu_d ( : , : , : )\n REAL, SAVE, ALLOCATABLE :: xvv_d ( : , : , : )\n REAL, SAVE, ALLOCATABLE :: xtheta ( : , : , : )\n REAL, SAVE, ALLOCATABLE :: xmapc ( : , : )\n REAL, SAVE, ALLOCATABLE :: xmapc2 ( : , : )\n REAL, SAVE, ALLOCATABLE :: xcorl ( : , : )\n REAL, SAVE, ALLOCATABLE :: dtds ( : , : )\n REAL, SAVE, ALLOCATABLE :: dtdx ( : , : )\n REAL, SAVE, ALLOCATABLE :: dtdy ( : , : )\n REAL, SAVE, ALLOCATABLE :: duds ( : , : )\n REAL, SAVE, ALLOCATABLE :: dvds ( : , : )\n REAL :: f0\n REAL :: f1\n REAL :: f2\n INTEGER :: k\n INTEGER :: k0\n INTEGER :: k1\n INTEGER :: k2\n REAL, SAVE, ALLOCATABLE :: sigma ( : )\n REAL :: t00\n REAL :: t1\n REAL :: t2\n REAL :: t3\n INTEGER :: rp1\n INTEGER :: cp1\n REAL :: vor\n REAL :: dsx\n REAL :: dsy\n REAL :: dx\n REAL :: dy\n\n! metcro3d temporary storage\n\n REAL, ALLOCATABLE, SAVE :: densq ( : , : , : )\n REAL, ALLOCATABLE, SAVE :: zf ( : , : , : )\n REAL, ALLOCATABLE, SAVE :: dzf ( : , : , : )\n REAL, ALLOCATABLE, SAVE :: presf ( : , : , : )\n REAL :: muhybf ! for hybrid vertical coord\n REAL :: muhybh ! for hybrid vertical coord\n\n! metdot3d temporary storage\n\n REAL, ALLOCATABLE, SAVE :: jdenm ( : , : )\n\n! metcro2d temporary storage\n\n REAL, ALLOCATABLE, SAVE :: u10 ( : , : )\n REAL, ALLOCATABLE, SAVE :: v10 ( : , : )\n REAL, ALLOCATABLE, SAVE :: albedo ( : , : )\n\n real, allocatable, save :: gridcro2d_data_wrf (:,:,:)\n real, allocatable, save :: griddot2d_data_wrf (:,:)\n real, allocatable, save :: metcro3d_data_wrf (:,:,:,:)\n real, allocatable, save :: metdot3d_data_wrf (:,:,:,:)\n real, allocatable, save :: metcro2d_data_wrf (:,:,:)\n\n real, allocatable :: gridcro2d_data_cmaq (:,:,:)\n real, allocatable :: griddot2d_data_cmaq (:,:)\n real, allocatable, save :: metcro3d_data_cmaq (:,:,:,:)\n real, allocatable, save :: metdot3d_data_cmaq (:,:,:,:)\n real, allocatable, save :: metcro2d_data_cmaq (:,:,:)\n! real, allocatable, save :: previous_rain_rec(:,:,:)\n real, allocatable, save :: temp_rainnc(:,:)\n real, allocatable, save :: temp_rainc(:,:)\n\n integer :: east_adjustment, north_adjustment\n\n integer, save :: jdate, jtime, sdate, stime, loc_logdev, nstep\n integer :: wrf_halo_x_l, wrf_halo_x_r\n integer :: wrf_halo_y_l, wrf_halo_y_u\n\n logical, save :: write_to_physical_file, &\n north_bdy_pe, south_bdy_pe, east_bdy_pe, west_bdy_pe\n integer, save :: file_time_step_in_sec\n\n integer :: i, j, status(MPI_STATUS_SIZE)\n character (len = 50) :: myfmt\n\n! character (len = 4), save :: pe_str\n\n logical, parameter :: debug = .true.\n\n integer, save :: cmaq_tstep\n\n TYPE(WRFU_Time) :: current_wrf_time\n integer :: rc\n character (len = 2), save :: data_ori = 'cr'\n\n integer, save :: tsc_c, tec_c, tsr_c, ter_c, &\n tsc_d, tec_d, tsr_d, ter_d, &\n tsc_e, tec_e, tsr_e, ter_e\n\n integer, save :: lwater, lice\n real, allocatable :: land_use_index(:,:)\n\n character(len=10) :: wrf_version\n logical :: hybrid_vert, px_modis\n real :: wrfv\n\n logical, save :: file_opened = .false.\n\n interface\n SUBROUTINE bcldprc_ak (wrf_ncols, wrf_nrows, nlays, &\n zf, ta, pres, qv, pbl, dzf, presf, &\n cfrac, cldb, cldt, wbar)\n INTEGER, INTENT(IN) :: wrf_ncols\n INTEGER, INTENT(IN) :: wrf_nrows\n INTEGER, INTENT(IN) :: nlays\n REAL, INTENT(IN) :: zf ( : , : , : )\n REAL, INTENT(IN) :: ta ( : , : , : )\n REAL, INTENT(IN) :: pres ( : , : , : )\n REAL, INTENT(IN) :: qv ( : , : , : )\n REAL, INTENT(IN) :: pbl ( : , : )\n REAL, INTENT(IN) :: dzf ( : , : , : )\n REAL, INTENT(IN) :: presf ( : , : , : )\n REAL, INTENT(OUT) :: cfrac ( : , : )\n REAL, INTENT(OUT) :: cldb ( : , : )\n REAL, INTENT(OUT) :: cldt ( : , : )\n REAL, INTENT(OUT) :: wbar ( : , : )\n END SUBROUTINE bcldprc_ak\n end interface\n\n!-------------------------------------------------------------------------------\n! Set switches/logic that rely on WRF versions and/or namelist settings\n hybrid_vert = .false.\n px_modis = .false.\n wrf_version = TRIM(release_version)\n read (wrf_version(2:4),'(F3.1)') wrfv\n\n ! Check version for hybrid coord configuration option\n IF(wrfv >= 3.9) THEN\n if (config_flags%hybrid_opt == 2) then\n hybrid_vert = .true.\n end if\n END IF\n\n ! Check version for WRFV4.1 PX MODIS and SOIL implementation\n IF(wrfv >= 4.1) THEN\n if (config_flags%sf_surface_physics == 7) then\n px_modis = .true.\n end if\n END IF\n\n print *, 'WRF Version ', wrf_version\n print *, 'WRF Version ', wrfv\n print *, 'Hybrid option number ', config_flags%hybrid_opt\n print *, 'Hybrid vertical coordinate (T/F) ', hybrid_vert\n print *, 'PX MODIS (T/F)', px_modis\n\n if (config_flags%cu_physics == 0) then\n convective_scheme = .false.\n else\n convective_scheme = .true.\n end if\n!-------------------------------------------------------------------------------\n\n!-------------------------------------------------------------------------------\n! Define horizontal bounds for CMAQ processing.\n!\n! Note: May want to have a set of four input variables that define the\n! AQ window: IOFFSET, JOFFSET, NCOLS, NROWS. Define SC, EC, SR, and ER\n! from those variables and the horizontal dimensions of the WRF domain.\n!\n! Note: Not sure how lateral boundary cells (formerly found in METBDY3D) are\n! handled in indexing and in two-way system yet.\n!-------------------------------------------------------------------------------\n\n! call WRFU_ClockGet (grid%domain_clock, CurrTime=current_wrf_time, rc=rc )\n\n tstep = tstep + 1\n\n IF ( first ) THEN\n\n CALL TWOWAY_INIT_ENV_VARS\n\n call mpi_comm_rank (mpi_comm_world, twoway_mype, stat)\n\n wrf_halo_x_l = abs(its - ims)\n wrf_halo_x_r = abs(ite - ime)\n wrf_halo_y_l = abs(jts - jms)\n wrf_halo_y_u = abs(jte - jme)\n\n nprocs = grid%nproc_x * grid%nproc_y\n twoway_nprocs = nprocs\n\n north_adjustment = 0\n if (twoway_mype >= (twoway_nprocs - grid%nproc_x)) then\n north_bdy_pe = .true.\n north_adjustment = -1\n else\n north_bdy_pe = .false.\n end if\n\n if (twoway_mype < grid%nproc_x) then\n south_bdy_pe = .true.\n else\n south_bdy_pe = .false.\n end if\n\n east_adjustment = 0\n if (mod(twoway_mype, grid%nproc_x) == (grid%nproc_x - 1)) then\n east_bdy_pe = .true.\n east_adjustment = -1\n else\n east_bdy_pe = .false.\n end if\n\n if (mod(twoway_mype, grid%nproc_x) == 0) then\n west_bdy_pe = .true.\n else\n west_bdy_pe = .false.\n end if\n\n allocate (wrf_c_domain_map(3, 2, 0:twoway_nprocs-1), cmaq_c_domain_map(3, 2, 0:twoway_nprocs-1), &\n wrf_d_domain_map(3, 2, 0:twoway_nprocs-1), cmaq_d_domain_map(3, 2, 0:twoway_nprocs-1), &\n cmaq_ce_domain_map(3, 2, 0:twoway_nprocs-1), &\n cmaq_de_domain_map(3, 2, 0:twoway_nprocs-1), stat=stat)\n if (stat .ne. 0) then\n print *, ' Error: Allocating domain_maps'\n stop\n end if\n\n loc_wrf_c_domain_map(1, 1) = its\n loc_wrf_c_domain_map(2, 1) = ite + east_adjustment\n loc_wrf_c_domain_map(3, 1) = ite - its + 1\n loc_wrf_c_domain_map(1, 2) = jts\n loc_wrf_c_domain_map(2, 2) = jte + north_adjustment\n loc_wrf_c_domain_map(3, 2) = jte - jts + 1\n\n call mpi_allgather (loc_wrf_c_domain_map, 6, mpi_integer, wrf_c_domain_map, 6, &\n mpi_integer, mpi_comm_world, stat)\n\n tw_sc = ims + wrf_halo_x_l\n tw_ec = ime - wrf_halo_x_r + east_adjustment\n tw_sr = jms + wrf_halo_y_l\n tw_er = jme - wrf_halo_y_u + north_adjustment\n\n tw_sc_d = tw_sc\n tw_ec_d = tw_ec + 1\n tw_sr_d = tw_sr\n tw_er_d = tw_er + 1\n\n wrf_c_ncols = ime - ims + 1 - wrf_halo_x_l - wrf_halo_x_r + east_adjustment\n wrf_c_nrows = jme - jms + 1 - wrf_halo_y_l - wrf_halo_y_u + north_adjustment\n wrf_d_ncols = wrf_c_ncols + 1\n wrf_d_nrows = wrf_c_nrows + 1\n nlays = kme - 1 ! wrf is using layer, znw contains level values (D. Wong 5/22/07)\n\n wrf_c_col_dim = ide - ids + 1\n wrf_c_row_dim = jde - jds + 1\n\n cmaq_c_col_dim = envint ('CMAQ_COL_DIM', ' ', wrf_c_col_dim-10, stat)\n cmaq_c_row_dim = envint ('CMAQ_ROW_DIM', ' ', wrf_c_row_dim-10, stat)\n\n loc_logdev = init3 ()\n\n stime = cmaq_stime\n sdate = cmaq_sdate\n\n cmaq_tstep = sec2time(grid%time_step*wrf_cmaq_freq)\n\n jdate = sdate\n jtime = stime\n\n nstep = ((grid%run_days * 24 + grid%run_hours) * 3600 + grid%run_minutes * 60 + grid%run_seconds) / &\n (grid%time_step * wrf_cmaq_freq)\n\n!-------------------------------------------------------------------------------\n! Allocate arrays for CCTM...to mimic MCIP output arrays.\n!-------------------------------------------------------------------------------\n\n! Fields from METCRO3D\n\n ALLOCATE ( densq (wrf_c_ncols, wrf_c_nrows, nlays) ) ! new output variable\n ALLOCATE ( zf (wrf_c_ncols, wrf_c_nrows, 0:nlays) )\n\n ALLOCATE ( dzf (wrf_c_ncols, wrf_c_nrows, nlays) ) ! used in calcs, not output\n ALLOCATE ( presf (wrf_c_ncols, wrf_c_nrows, nlays) ) ! used in calcs, not output\n\n! Fields from METDOT3D\n\n ALLOCATE ( jdenm (wrf_d_ncols, wrf_d_nrows) )\n\n! Fields from METCRO2D.\n\n ALLOCATE ( u10 (wrf_c_ncols, wrf_c_nrows) )\n ALLOCATE ( v10 (wrf_c_ncols, wrf_c_nrows) )\n ALLOCATE ( albedo (wrf_c_ncols, wrf_c_nrows) )\n\n!-------------------------------------------------------------------------------\n! Fill M3IO header variables.\n!\n! Note: The M3IO header variables are currently local to AQ_HEADER, but they\n! should fill variables that are available in COORD.EXT (or whatever\n! replaced it).\n!-------------------------------------------------------------------------------\n\n npcol = grid%nproc_x\n nprow = grid%nproc_y\n\n se_twoway_npcol = npcol\n se_twoway_nprow = nprow\n\n twoway_nprocs = npcol * nprow\n\n wrf_d_domain_map(1,:,:) = wrf_c_domain_map(1,:,:)\n wrf_d_domain_map(2,:,:) = wrf_c_domain_map(2,:,:) + 1\n wrf_d_domain_map(3,:,:) = wrf_c_domain_map(3,:,:) + 1\n\n! cmaq cross point domain\n call compute_decomp (cmaq_c_col_dim, npcol, nprow, 'cmaq', 'c', cmaq_c_domain_map(:,1,:), delta_x)\n call compute_decomp (cmaq_c_row_dim, nprow, npcol, 'cmaq', 'r', cmaq_c_domain_map(:,2,:), delta_y)\n\n! cmaq dot point domain\n cmaq_d_domain_map(1,:,:) = cmaq_c_domain_map(1,:,:)\n cmaq_d_domain_map(2,:,:) = cmaq_c_domain_map(2,:,:) + 1\n cmaq_d_domain_map(3,:,:) = cmaq_c_domain_map(3,:,:) + 1\n\n! cmaq cross point extended domain\n cmaq_ce_domain_map(1,:,:) = cmaq_c_domain_map(1,:,:) - 1\n cmaq_ce_domain_map(2,:,:) = cmaq_c_domain_map(2,:,:) + 1\n cmaq_ce_domain_map(3,:,:) = cmaq_c_domain_map(3,:,:) + 2\n\n! cmaq dot point extended domain\n cmaq_de_domain_map(1,:,:) = cmaq_d_domain_map(1,:,:) - 1\n cmaq_de_domain_map(2,:,:) = cmaq_d_domain_map(2,:,:) + 1\n cmaq_de_domain_map(3,:,:) = cmaq_d_domain_map(3,:,:) + 2\n\n cmaq_c_ncols = cmaq_c_domain_map(3, 1, twoway_mype)\n cmaq_c_nrows = cmaq_c_domain_map(3, 2, twoway_mype)\n cmaq_d_ncols = cmaq_d_domain_map(3, 1, twoway_mype)\n cmaq_d_nrows = cmaq_d_domain_map(3, 2, twoway_mype)\n\n! the reason for twoway_nprocs*3 is in the worst scenario, the entire cmaq domain is inside one wrf processor domain\n allocate (wrf_cmaq_c_send_to(0:9, 0:twoway_nprocs-1), &\n wrf_cmaq_c_recv_from(0:9, 0:twoway_nprocs-1), &\n wrf_cmaq_c_send_index_g(9*3, 2, 0:twoway_nprocs-1), & ! starting and ending dimension, dimenionality\n wrf_cmaq_c_send_index_l(9*3, 2, 0:twoway_nprocs-1), & ! starting and ending dimension, dimenionality\n wrf_cmaq_c_recv_index_g(9*3, 2, 0:twoway_nprocs-1), & ! starting and ending dimension, dimenionality\n wrf_cmaq_c_recv_index_l(9*3, 2, 0:twoway_nprocs-1), & ! starting and ending dimension, dimenionality\n wrf_cmaq_d_send_to(0:9, 0:twoway_nprocs-1), &\n wrf_cmaq_d_recv_from(0:9, 0:twoway_nprocs-1), &\n wrf_cmaq_d_send_index_g(9*3, 2, 0:twoway_nprocs-1), & ! starting and ending dimension, dimenionality\n wrf_cmaq_d_send_index_l(9*3, 2, 0:twoway_nprocs-1), & ! starting and ending dimension, dimenionality\n wrf_cmaq_d_recv_index_g(9*3, 2, 0:twoway_nprocs-1), & ! starting and ending dimension, dimenionality\n wrf_cmaq_d_recv_index_l(9*3, 2, 0:twoway_nprocs-1), & ! starting and ending dimension, dimenionality\n wrf_cmaq_ce_send_to(0:9, 0:twoway_nprocs-1), &\n wrf_cmaq_ce_recv_from(0:9, 0:twoway_nprocs-1), &\n wrf_cmaq_ce_send_index_g(9*3, 2, 0:twoway_nprocs-1), & ! starting and ending dimension, dimenionality\n wrf_cmaq_ce_send_index_l(9*3, 2, 0:twoway_nprocs-1), & ! starting and ending dimension, dimenionality\n wrf_cmaq_ce_recv_index_g(9*3, 2, 0:twoway_nprocs-1), & ! starting and ending dimension, dimenionality\n wrf_cmaq_ce_recv_index_l(9*3, 2, 0:twoway_nprocs-1), & ! starting and ending dimension, dimenionality\n wrf_cmaq_de_send_to(0:9, 0:twoway_nprocs-1), &\n wrf_cmaq_de_recv_from(0:9, 0:twoway_nprocs-1), &\n wrf_cmaq_de_send_index_g(9*3, 2, 0:twoway_nprocs-1), & ! starting and ending dimension, dimenionality\n wrf_cmaq_de_send_index_l(9*3, 2, 0:twoway_nprocs-1), & ! starting and ending dimension, dimenionality\n wrf_cmaq_de_recv_index_g(9*3, 2, 0:twoway_nprocs-1), & ! starting and ending dimension, dimenionality\n wrf_cmaq_de_recv_index_l(9*3, 2, 0:twoway_nprocs-1), & ! starting and ending dimension, dimenionality\n stat=stat) \n if (stat .ne. 0) then\n print *, ' Error: Allocating communication indices arrays'\n stop\n end if\n\n call compute_comm_indices (twoway_nprocs, wrf_c_domain_map, cmaq_c_domain_map, &\n wrf_cmaq_c_send_to, wrf_cmaq_c_recv_from, &\n wrf_cmaq_c_send_index_g, wrf_cmaq_c_send_index_l, &\n wrf_cmaq_c_recv_index_g, wrf_cmaq_c_recv_index_l )\n\n call compute_comm_indices (twoway_nprocs, wrf_d_domain_map, cmaq_d_domain_map, &\n wrf_cmaq_d_send_to, wrf_cmaq_d_recv_from, &\n wrf_cmaq_d_send_index_g, wrf_cmaq_d_send_index_l, &\n wrf_cmaq_d_recv_index_g, wrf_cmaq_d_recv_index_l )\n\n call compute_comm_indices (twoway_nprocs, wrf_c_domain_map, cmaq_ce_domain_map, &\n wrf_cmaq_ce_send_to, wrf_cmaq_ce_recv_from, &\n wrf_cmaq_ce_send_index_g, wrf_cmaq_ce_send_index_l, &\n wrf_cmaq_ce_recv_index_g, wrf_cmaq_ce_recv_index_l )\n\n call compute_comm_indices (twoway_nprocs, wrf_d_domain_map, cmaq_de_domain_map, &\n wrf_cmaq_de_send_to, wrf_cmaq_de_recv_from, &\n wrf_cmaq_de_send_index_g, wrf_cmaq_de_send_index_l, &\n wrf_cmaq_de_recv_index_g, wrf_cmaq_de_recv_index_l )\n\n CALL aq_header (cmaq_c_ncols, cmaq_c_nrows, wrf_c_col_dim, wrf_c_row_dim, nlays, &\n sdate, stime, grid%dx, grid%dy, delta_x, delta_y, & \n config_flags%map_proj, config_flags%truelat1, config_flags%truelat2, &\n config_flags%cen_lat, config_flags%cen_lon, config_flags%stand_lon, &\n grid%p_top, grid%znw, grid%xlat(tw_sc,tw_sr), grid%xlong(tw_sc,tw_sr), &\n wrf_lc_ref_lat)\n\n CALL setup_griddesc_file (cmaq_c_col_dim, cmaq_c_row_dim)\n\n if ((wrf_cmaq_option == 1) .or. (wrf_cmaq_option == 3)) then\n file_time_step_in_sec = time2sec (file_time_step)\n\n if (.not. pio_init (colrow, cmaq_c_col_dim, cmaq_c_row_dim, &\n nlays, 1, cmaq_c_ncols, cmaq_c_nrows, &\n npcol, nprow, twoway_nprocs, twoway_mype, wflg=.false.) ) then\n print *, ' Error: in invoking pio_init'\n stop\n end if\n end if\n\n if (config_flags%cu_physics == 0) then\n wrf_convective_scheme = .false.\n else\n wrf_convective_scheme = .true.\n end if\n\n!-------------------------------------------------------------------------------\n! Fill time-independent arrays for GRIDCRO2D and GRIDDOT2D.\n! only need to do this once per run, not each step\n!-------------------------------------------------------------------------------\n\n if (wrf_cmaq_option .gt. 1) then\n fname = 'GRID_CRO_2D'\n end if\n if ((wrf_cmaq_option == 1) .or. (wrf_cmaq_option == 3)) then\n pfname = 'PGRID_CRO_2D'\n end if\n\n if (.not. file_opened) then\n call aq_set_ioapi_header ('C', cmaq_c_ncols, cmaq_c_nrows)\n\n mxrec3d = 1\n nlays3d = 1\n\n vname3d(1:n_gridcro2d_var) = gridcro2d_vlist\n units3d(1:n_gridcro2d_var) = gridcro2d_units\n\n num_land_cat = config_flags%num_land_cat\n\n do v = 1, numlu\n write (vname3d(v+n_gridcro2d_var), '(a7, i2.2)') 'LUFRAC_', v\n units3d(v+n_gridcro2d_var) = '1'\n end do\n\n! this is particular for m3dry LUFRAC_01\n units3d(1+n_gridcro2d_var) = '1'\n\n nvars3d = numlu+n_gridcro2d_var\n tstep3d = 0\n vtype3d = ioapi_header%vtype\n\n allocate ( gridcro2d_data_wrf (wrf_c_ncols, wrf_c_nrows, nvars3d), stat=stat)\n allocate ( gridcro2d_data_cmaq (cmaq_c_ncols, cmaq_c_nrows, nvars3d), stat=stat)\n\n if (wrf_cmaq_option .gt. 1) then\n if ( .not. open3 (fname, FSRDWR3, pname) ) then\n print *, ' Error: Could not open file ', fname, 'for update'\n if ( .not. open3 (fname, FSNEW3, pname) ) then\n print *, ' Error: Could not open file ', fname\n end if\n end if\n end if\n if ((wrf_cmaq_option == 1) .or. (wrf_cmaq_option == 3)) then\n if (twoway_mype == 0) then\n ncols3d = cmaq_c_col_dim\n nrows3d = cmaq_c_row_dim\n if ( .not. open3 (pfname, FSRDWR3, pname) ) then\n print *, ' Error: Could not open file ', pfname, 'for update'\n if ( .not. open3 (pfname, FSNEW3, pname) ) then\n print *, ' Error: Could not open file ', pfname\n end if\n end if\n end if\n end if\n\n if (config_flags%mminlu == 'USGS') then\n lwater = 16\n lice = 24\n if (config_flags%num_land_cat == 33) then\n mminlu = 'USGS33'\n else if (config_flags%num_land_cat == 24) then\n mminlu = 'USGS24'\n else if (config_flags%num_land_cat == 28) then\n mminlu = 'USGS28'\n end if \n else if (config_flags%mminlu == 'NLCD-MODIS') then\n lwater = 17\n lice = 15\n mminlu = config_flags%mminlu\n else if ((config_flags%mminlu == 'MODIS') .or. (config_flags%mminlu == 'MODIFIED_IGBP_MODIS_NOAH')) then\n lwater = 17\n lice = 15\n mminlu = config_flags%mminlu\n else if (config_flags%mminlu(1:4) == 'NLCD') then\n if (config_flags%num_land_cat == 40) then\n lwater = 17\n lice = 15\n mminlu = 'NLCD40'\n else\n lwater = 1\n lice = 2\n mminlu = config_flags%mminlu\n end if\n else\n print *, ' Warning: Unknow landuse type ', config_flags%mminlu, grid%num_land_cat\n end if\n end if\n\n allocate ( land_use_index (wrf_c_ncols, wrf_c_nrows), stat=stat)\n land_use_index = grid%lu_index (tw_sc:tw_ec, tw_sr:tw_er)\n\n !---------------------------------------------------------------------------\n ! Fill scalar-point arrays of latitude (LAT), longitude (LON), terrain\n ! elevation (HT), land-water mask (LWMASK), and fractional land use (LUFRAC)\n ! directly from WRF arrays.\n !---------------------------------------------------------------------------\n\n gridcro2d_data_wrf (:,:,1) = grid%xlat (tw_sc:tw_ec, tw_sr:tw_er)\n gridcro2d_data_wrf (:,:,2) = grid%xlong (tw_sc:tw_ec, tw_sr:tw_er)\n gridcro2d_data_wrf (:,:,4) = grid%ht (tw_sc:tw_ec, tw_sr:tw_er)\n\n gridcro2d_data_wrf (:,:,5) = grid%landmask (tw_sc:tw_ec, tw_sr:tw_er)\n\n gridcro2d_data_wrf (:,:,7) = grid%lu_index (tw_sc:tw_ec, tw_sr:tw_er)\n\n! where ( ( nint(land_use_index(:,:)) == lwater ) .or. ( nint(land_use_index(:,:)) == lice ) ) ! water\n! gridcro2d_data_wrf(:,:,5) = 0.0\n! elsewhere ! land\n! gridcro2d_data_wrf(:,:,5) = 1.0\n! end where\n\n do i = 1, numlu\n gridcro2d_data_wrf (:,:,n_gridcro2d_var+i) = grid%landusef (tw_sc:tw_ec, i, tw_sr:tw_er)\n end do\n\n !---------------------------------------------------------------------------\n ! Compute squared scalar-point map-scale factors (MSFX2).\n !\n ! Note: The scalar-point map-scale factors (MSFX), which are filled\n ! directly from a WRF array, are needed in the UHAT_JD and VHAT_JD\n ! calculations below.\n !---------------------------------------------------------------------------\n\n gridcro2d_data_wrf (:,:,3) = grid%msftx (tw_sc:tw_ec, tw_sr:tw_er) * grid%msftx (tw_sc:tw_ec, tw_sr:tw_er)\n\n !---------------------------------------------------------------------------\n ! Compute percentage of urban area per land in grid cell (PURB) using\n ! algorithm from MCIP.\n !---------------------------------------------------------------------------\n\n jj = tw_sr - 1\n do r = 1, wrf_c_nrows\n jj = jj + 1\n ii = tw_sc - 1\n do c = 1, wrf_c_ncols\n ii = ii + 1\n if ( nint(land_use_index(c,r)) == lwater ) then ! water is dominant\n gridcro2d_data_wrf(c,r,6) = 0.0\n else ! land is dominant over water in cell\n if ( grid%landusef(ii,lwater,jj) < 1.0 ) then\n! if ((config_flags%mminlu == 'USGS') .and. (config_flags%num_land_cat == 33)) then\n if (mminlu == 'USGS33') then\n gridcro2d_data_wrf(c,r,6) = ( ( grid%landusef(ii,1,jj) + grid%landusef(ii,31,jj) + &\n grid%landusef(ii,32,jj) + grid%landusef(ii,33,jj) ) / &\n (1.0 - grid%landusef(ii,lwater,jj)) ) * 100.0\n else if (mminlu == 'USGS24') then\n gridcro2d_data_wrf(c,r,6) = ( grid%landusef(ii,1,jj) / &\n (1.0 - grid%landusef(ii,lwater,jj)) ) * 100.0\n else if ((mminlu == 'MODIS') .or. (mminlu == 'MODIFIED_IGBP_MODIS_NOAH')) then\n gridcro2d_data_wrf(c,r,6) = ( grid%landusef(ii,13,jj) / &\n (1.0 - grid%landusef(ii,lwater,jj)) ) * 100.0\n else if ((mminlu == 'NLCD') .or. (mminlu == 'NLCD50')) then\n gridcro2d_data_wrf(c,r,6) = ( ( grid%landusef(ii,3,jj) * 0.10 + &\n grid%landusef(ii,4,jj) * 0.35 + &\n grid%landusef(ii,5,jj) * 0.65 + &\n grid%landusef(ii,6,jj) * 0.90 + &\n grid%landusef(ii,44,jj) ) / &\n (1.0 - grid%landusef(ii,lwater,jj)) ) * 100.0\n else if (mminlu == 'NLCD40') then\n gridcro2d_data_wrf(c,r,6) = ( ( grid%landusef(ii,23,jj) * 0.10 + &\n grid%landusef(ii,24,jj) * 0.35 + &\n grid%landusef(ii,25,jj) * 0.65 + &\n grid%landusef(ii,26,jj) * 0.90 + &\n grid%landusef(ii,13,jj) ) / &\n (1.0 - grid%landusef(ii,lwater,jj)) ) * 100.0\n else\n print *, ' Warning:: Unknow Land Use type'\n stop\n end if\n else\n gridcro2d_data_wrf(c,r,6) = 0.0\n end if\n end if\n end do\n end do\n\n deallocate (land_use_index)\n\n call se_wrf_cmaq_comm (twoway_mype, gridcro2d_data_wrf, gridcro2d_data_cmaq, &\n wrf_cmaq_c_send_to, wrf_cmaq_c_recv_from, &\n wrf_cmaq_c_send_index_l, wrf_cmaq_c_recv_index_l, 1)\n\n if (wrf_cmaq_option .gt. 1) then\n if ( .not. buf_write3 (fname, allvar3, jdate, jtime, gridcro2d_data_cmaq ) ) then\n print *, ' Error: Could not write to file ', fname\n stop\n end if\n end if\n if ((wrf_cmaq_option == 1) .or. (wrf_cmaq_option == 3)) then\n if ( .not. write3 (pfname, allvar3, jdate, jtime, gridcro2d_data_cmaq ) ) then\n print *, ' Error: Could not write to file ', pfname\n stop\n end if\n end if\n\n !---------------------------------------------------------------------------\n ! Compute sqaured dot-point map-scale factors (MSFD2).\n !\n ! The correct method would be to use the grid projection information and\n ! call a routine like gridgeometry from MCIP. Here, for simplicity, \n ! approximate dot-point map-scale factors from flux-point map-scale\n ! factors that are readily available in WRF using four-point interpolation.\n !---------------------------------------------------------------------------\n\n if (wrf_cmaq_option .gt. 1) then\n fname = 'GRID_DOT_2D'\n end if\n if ((wrf_cmaq_option == 1) .or. (wrf_cmaq_option == 3)) then\n pfname = 'PGRID_DOT_2D'\n end if\n\n if (.not. file_opened) then\n call aq_set_ioapi_header ('D', cmaq_d_ncols, cmaq_d_nrows)\n \n mxrec3d = 1\n nlays3d = 1\n\n nvars3d = n_griddot2d_var\n vname3d(1:nvars3d) = griddot2d_vlist\n units3d(1:nvars3d) = griddot2d_units\n tstep3d = 0\n vtype3d = ioapi_header%vtype\n\n if (wrf_cmaq_option .gt. 1) then\n if ( .not. open3 (fname, FSRDWR3, pname) ) then\n print *, ' Error: Could not open file ', fname, 'for update'\n if ( .not. open3 (fname, FSNEW3, pname) ) then\n print *, ' Error: Could not open file ', fname\n end if\n end if\n end if\n if ((wrf_cmaq_option == 1) .or. (wrf_cmaq_option == 3)) then\n if (twoway_mype == 0) then\n ncols3d = cmaq_c_col_dim + 1\n nrows3d = cmaq_c_row_dim + 1\n if ( .not. open3 (pfname, FSRDWR3, pname) ) then\n print *, ' Error: Could not open file ', pfname, 'for update'\n if ( .not. open3 (pfname, FSNEW3, pname) ) then\n print *, ' Error: Could not open file ', pfname\n end if\n end if\n end if\n end if\n\n allocate ( griddot2d_data_wrf (wrf_d_ncols, wrf_d_nrows), stat=stat)\n allocate ( griddot2d_data_cmaq (cmaq_d_ncols, cmaq_d_nrows), stat=stat)\n end if\n\n jj = tw_sr_d - 1\n DO r = 1, wrf_d_nrows\n jj = min (jj+1, tw_er_d)\n jjm1 = MAX( jj-1, 1 )\n ii = tw_sc_d - 1\n DO c = 1, wrf_d_ncols\n ii = min (ii+1, tw_ec_d)\n iim1 = MAX ( ii-1, 1 )\n\n griddot2d_data_wrf(c,r) = 0.25 * ( grid%msfux(ii,jjm1) + grid%msfux(ii,jj) + &\n grid%msfvx(iim1,jj) + grid%msfvx(ii,jj) )\n\n griddot2d_data_wrf(c,r) = griddot2d_data_wrf(c,r) * griddot2d_data_wrf(c,r)\n\n ENDDO\n ENDDO\n\n call se_wrf_cmaq_comm (twoway_mype, griddot2d_data_wrf, griddot2d_data_cmaq, &\n wrf_cmaq_d_send_to, wrf_cmaq_d_recv_from, &\n wrf_cmaq_d_send_index_l, wrf_cmaq_d_recv_index_l, 2)\n\n if (wrf_cmaq_option .gt. 1) then\n if ( .not. buf_write3 (fname, allvar3, jdate, jtime, griddot2d_data_cmaq ) ) then\n print *, ' Error: Could not write to file ', fname\n stop\n end if\n end if\n if ((wrf_cmaq_option == 1) .or. (wrf_cmaq_option == 3)) then\n tsc_d = 1\n if (east_bdy_pe) then\n tec_d = cmaq_d_domain_map(3,1,twoway_mype)\n else\n tec_d = cmaq_d_domain_map(3,1,twoway_mype) - 1\n end if\n tsr_d = 1\n if (north_bdy_pe) then\n ter_d = cmaq_d_domain_map(3,2,twoway_mype)\n else\n ter_d = cmaq_d_domain_map(3,2,twoway_mype) - 1\n end if\n\n if ( .not. write3 (pfname, allvar3, jdate, jtime, griddot2d_data_cmaq(tsc_d:tec_d,tsr_d:ter_d) ) ) then\n print *, ' Error: Could not write to file ', pfname\n stop\n end if\n end if\n\n first = .false.\n\n ENDIF ! first\n\n if (wrf_cmaq_option .gt. 1) then\n fname = 'MET_CRO_3D'\n end if\n if ((wrf_cmaq_option == 1) .or. (wrf_cmaq_option == 3)) then\n pfname = 'PMET_CRO_3D'\n end if\n\n if (.not. file_opened) then\n call aq_set_ioapi_header ('C', cmaq_ce_domain_map(3,1,twoway_mype), cmaq_ce_domain_map(3,2,twoway_mype))\n\n mxrec3d = nstep\n\n xorig3d = ioapi_header%xorig - ioapi_header%xcell\n yorig3d = ioapi_header%yorig - ioapi_header%ycell\n\n nlays3d = ioapi_header%nlays\n nvars3d = n_metcro3d_var\n vname3d(1:nvars3d) = metcro3d_vlist\n units3d(1:nvars3d) = metcro3d_units\n tstep3d = cmaq_tstep\n vtype3d = ioapi_header%vtype\n\n if (.not. allocated(metcro3d_data_wrf)) then\n allocate ( metcro3d_data_wrf (wrf_c_ncols, wrf_c_nrows, nlays, nvars3d), stat=stat)\n allocate ( metcro3d_data_cmaq (cmaq_ce_domain_map(3,1,twoway_mype), &\n cmaq_ce_domain_map(3,2,twoway_mype), nlays, nvars3d), stat=stat)\n\n metcro3d_data_wrf = 0.0\n\n tsc_c = 2\n tec_c = cmaq_ce_domain_map(3,1,twoway_mype) - 1\n tsr_c = 2\n ter_c = cmaq_ce_domain_map(3,2,twoway_mype) - 1\n\n tsc_e = 2\n tec_e = cmaq_ce_domain_map(3,1,twoway_mype) - 1\n tsr_e = 2\n ter_e = cmaq_ce_domain_map(3,2,twoway_mype) - 1\n\n if (west_bdy_pe) then\n tsc_e = 1\n end if\n if (east_bdy_pe) then\n tec_e = tec_e + 1\n end if\n if (south_bdy_pe) then\n tsr_e = 1\n end if\n if (north_bdy_pe) then\n ter_e = ter_e + 1\n end if\n\n end if\n\n if (wrf_cmaq_option .gt. 1) then\n if ( .not. open3 (fname, FSRDWR3, pname) ) then\n print *, ' Error: Could not open file ', fname, 'for update'\n if ( .not. open3 (fname, FSNEW3, pname) ) then\n print *, ' Error: Could not open file ', fname\n end if\n end if\n end if\n\n if ((wrf_cmaq_option == 1) .or. (wrf_cmaq_option == 3)) then\n if (twoway_mype == 0) then\n ncols3d = cmaq_c_col_dim + 2\n nrows3d = cmaq_c_row_dim + 2\n tstep3d = file_time_step\n\n if ( .not. open3 (pfname, FSRDWR3, pname) ) then\n print *, ' Error: Could not open file ', pfname, 'for update'\n if ( .not. open3 (pfname, FSNEW3, pname) ) then\n print *, ' Error: Could not open file ', pfname\n end if\n end if\n end if\n end if\n end if\n\n!-------------------------------------------------------------------------------\n! Fill time-dependent arrays for METCRO3D.\n!\n! Note: Cannot just assign pointers for 3D variables because order of indices\n! is different in WRF (i,k,j) vs. CMAQ (i,j,k).\n!-------------------------------------------------------------------------------\n\n IF (turn_on_pv) THEN\n\n IF ( .NOT. ALLOCATED ( sigma ) ) ALLOCATE ( sigma ( nlays ) )\n\n sigma = grid%znu(1:nlays)\n! sigma = grid%znu\n\n IF ( .NOT. ALLOCATED ( xuu_s ) ) ALLOCATE ( xuu_s ( wrf_d_ncols, wrf_d_nrows, nlays) )\n IF ( .NOT. ALLOCATED ( xvv_t ) ) ALLOCATE ( xvv_t ( wrf_d_ncols, wrf_d_nrows, nlays) )\n\n IF ( .NOT. ALLOCATED ( xuu_d ) ) ALLOCATE ( xuu_d ( wrf_d_ncols, wrf_d_nrows, nlays) )\n IF ( .NOT. ALLOCATED ( xvv_d ) ) ALLOCATE ( xvv_d ( wrf_d_ncols, wrf_d_nrows, nlays) )\n\n DO kk = 1, nlays\n jj = tw_sr_d - 1\n DO r = 1, wrf_d_nrows\n jj = jj + 1\n ii = tw_sc_d - 1\n DO c = 1, wrf_d_ncols\n ii = ii + 1\n\n xuu_s(c,r,kk) = grid%u_2 (ii,kk,jj)\n xvv_t(c,r,kk) = grid%v_2 (ii,kk,jj)\n\n ENDDO ! c\n ENDDO ! r\n\n xvv_d(2:wrf_d_ncols-1,:,kk) = 0.5 * (xvv_t(1:wrf_d_ncols-2,:,kk) + xvv_t(2:wrf_d_ncols-1,:,kk))\n IF (west_bdy_pe) THEN\n xvv_d(1, :,kk) = xvv_t(1,:,kk)\n ELSE\n xvv_d(1, :,kk) = 0.5 * (xvv_t(1,:,kk) + grid%v_2 (tw_sc_d-1,kk,tw_sr_d:tw_er_d))\n ENDIF\n IF (east_bdy_pe) THEN\n xvv_d(wrf_d_ncols,:,kk) = xvv_t(wrf_d_ncols-1,:,kk)\n ELSE\n xvv_d(wrf_d_ncols,:,kk) = 0.5 * (xvv_t(wrf_d_ncols-1,:,kk) + xvv_t(wrf_d_ncols,:,kk))\n ENDIF\n\n xuu_d(:,2:wrf_d_nrows-1,kk) = 0.5 * (xuu_s(:,1:wrf_d_nrows-2,kk) + xuu_s(:,2:wrf_d_nrows-1,kk))\n IF (south_bdy_pe) THEN\n xuu_d(:,1, kk) = xuu_s(:,1,kk)\n ELSE\n xuu_d(:,1, kk) = 0.5 * (xuu_s(:,1,kk) + grid%u_2 (tw_sc_d:tw_ec_d,kk,tw_sr_d-1))\n ENDIF\n IF (north_bdy_pe) THEN\n xuu_d(:,wrf_d_nrows,kk) = xuu_s(:,wrf_d_nrows-1,kk)\n ELSE\n xuu_d(:,wrf_d_nrows,kk) = 0.5 * (xuu_s(:,wrf_d_nrows-1,kk) + xuu_s(:,wrf_d_nrows,kk))\n ENDIF\n ENDDO ! kk\n\n IF ( .NOT. ALLOCATED ( xtheta ) ) ALLOCATE ( xtheta ( wrf_c_ncols, wrf_c_nrows, nlays) )\n END IF ! turn_on_pv\n\n zf (:,:,0) = 0.0\n DO kk = 1, nlays\n kp1 = kk + 1\n jj = tw_sr - 1\n DO r = 1, wrf_c_nrows\n jj = jj + 1\n ii = tw_sc - 1\n DO c = 1, wrf_c_ncols\n ii = ii + 1\n\n !-----------------------------------------------------------------------\n ! Fill \"required\" 3D scalar-point arrays of temperature (TA), water\n ! vapor mixing ratio (QV), pressure (PRES), density (DENS), density\n ! including contribution from water vapor (DENSQ), height of the\n ! half-layers (mid-layers) (ZH), height of the full levels (ZF),\n ! pressure on full levels (PRESF), height difference of full levels\n ! (DZF), cloud mixing ratio (QC), and rain water mixing ratio (QR)\n ! directly from WRF arrays.\n !\n ! Note: QV, QC, and QR are \"optional\" variables in the WRF model\n ! because they are not output in some configurations of the\n ! model. It may be better to ensure they are defined before\n ! this routine is called and make them required rather than\n ! optional on the calling statement.\n !\n ! Note: DENSQ is new for output. It may be preferred over DENS in\n ! some CMAQ calculations.\n !\n ! Note: PRESF and DZF are filled to support other calculations, and\n ! they are not part of the output.\n !\n ! Note: None of the full-level arrays are dimensioned to full levels.\n ! All arrays are filled using CMAQ's (:,:,0:nlays) convention.\n ! PRESF(:,:0) is PRSFC, which is filled in the 2D arrays.\n ! ZF(:,:,0) is 0.0 for all grid cells. DZF(:,:,0) does not\n ! exist because there are only NLAYS differences between\n ! NLAYS+1 levels.\n !-----------------------------------------------------------------------\n\n metcro3d_data_wrf (c,r,kk,15) = grid%u_phy(ii,kk,jj) ! store u wind component on mass point\n metcro3d_data_wrf (c,r,kk,16) = grid%v_phy(ii,kk,jj) ! store v wind component on mass point\n\n metcro3d_data_wrf (c,r,kk,4) = t_phy_wrf (ii,kk,jj) ! ta\n\n if (turn_on_pv) then\n xtheta(c,r,kk) = grid%t_2 (ii,kk,jj) + t0\n end if\n\n IF ( PRESENT (qv_curr_wrf) .AND. f_qv ) THEN\n metcro3d_data_wrf (c,r,kk,5) = qv_curr_wrf (ii,kk,jj) ! qv\n ELSE\n print *, ' Error: CMAQ *needs* QV to run. '\n stop\n ENDIF\n\n metcro3d_data_wrf (c,r,kk,11) = p_phy_wrf (ii,kk,jj) ! pres\n\n metcro3d_data_wrf (c,r,kk,12) = 1.0 / grid%alt(ii,kk,jj) ! den\n\n densq (c,r,kk) = rho_wrf (ii,kk,jj) ! includes QV: 1/dens*(1+QV)\n\n zf (c,r,kk) = z_at_w_wrf (ii,kp1,jj) - z_at_w_wrf (ii,1,jj) ! adjust for 0: indexing in AQ\n metcro3d_data_wrf (c,r,kk,13) = 0.5 * (zf(c,r,kk) + zf(c,r,kk-1)) ! zh\n\n presf (c,r,kk) = p8w_wrf (ii,kp1,jj) ! adjust for 0: indexing in AQ\n dzf (c,r,kk) = dz8w_wrf (ii,kk,jj) ! no kp1: dz8w=0 at model top\n\n IF ( PRESENT (qc_curr_wrf) .AND. f_qc ) THEN\n metcro3d_data_wrf (c,r,kk,6) = qc_curr_wrf(ii,kk,jj) ! qc\n ELSE\n print *, ' Error: CMAQ *needs* QC to run. '\n stop\n ENDIF\n\n IF ( PRESENT (qr_curr_wrf) .AND. f_qr ) THEN\n metcro3d_data_wrf (c,r,kk,7) = qr_curr_wrf(ii,kk,jj) ! qr\n ELSE\n print *, ' Error: CMAQ *needs* QR to run. '\n stop\n ENDIF\n\n !-----------------------------------------------------------------------\n ! Fill \"optional\" moisture variables: ice mixing ratio (QI), snow\n ! mixing ratio (QS), and graupel mixing ratio (QG).\n !\n ! Note: QI, QS, and QG are not required for CMAQ, but will be used\n ! if they are available. They are not written to output if\n ! they are not available...so do not fill with 0.0 or BADVAL3.\n !-----------------------------------------------------------------------\n\n IF ( PRESENT (qi_curr_wrf) .AND. f_qi ) THEN\n metcro3d_data_wrf (c,r,kk,8) = qi_curr_wrf(ii,kk,jj) ! qi\n ELSE\n metcro3d_data_wrf (c,r,kk,8) = 0.0\n ENDIF\n\n IF ( PRESENT (qs_curr_wrf) .AND. f_qs ) THEN\n metcro3d_data_wrf (c,r,kk,9) = qs_curr_wrf(ii,kk,jj) ! qs\n ELSE\n metcro3d_data_wrf (c,r,kk,9) = 0.0\n ENDIF\n\n IF ( PRESENT (qg_curr_wrf) .AND. f_qg ) THEN\n metcro3d_data_wrf (c,r,kk,10) = qg_curr_wrf(ii,kk,jj) ! qg\n ELSE\n metcro3d_data_wrf (c,r,kk,10) = 0.0\n ENDIF\n\n !-----------------------------------------------------------------------\n ! Compute Jacobian on full levels and mid-layers, and compute\n ! coupled density and Jacobian on mid-layers. Need to compute\n ! full-level density (in WRF coordinate) for Jacobian.\n !\n ! Jacobian is from WRF relation:\n ! J*g = d(phi)/d(eta) = d(g z)/d(eta) = -mu alpha = -mu/rho\n !\n ! Note: In QF calculation, use \"raw\" WRF variable QV_CURR_WRF instead\n ! of QV here because QV(:,kp1,:) is not yet filled.\n !\n ! Note: JACOBF at the surface (i.e., JACOBS) is not filled because\n ! it is not used in CMAQ.\n !-----------------------------------------------------------------------\n\n tf = t8w_wrf(ii,kp1,jj) ! kp1 to adjust for 0: indexing in AQ model\n\n qf = 0.5 * ( qv_curr_wrf(ii,kk,jj) + qv_curr_wrf(ii,kp1,jj) )\n densf = presf(c,r,kk) / ( r_d * tf * (1.0 + r_v*qf/r_d) )\n\n !-----------------------------------------------------------------------\n ! Update calculation of Jacobian for hybrid vertical coordinate.\n ! TLS 1 Feb 19\n !\n ! Calculate new variables MUHYBF and MUHYBH (mu hybrid on full and half\n ! levels). Note that full level indexing in vertical differs by 1 from\n ! WRF because CMAQ's arrays are zero-based.\n !\n ! Replace MUT in the Jacobian calculations, below, with MUHYBF or\n ! MUHYBH, depending on the level where we want the Jacobian.\n !-----------------------------------------------------------------------\n if (hybrid_vert) then\n muhybf = grid%c1f(kp1) * grid%mut(ii,jj) + grid%c2f(kp1)\n muhybh = grid%c1h(kk) * grid%mut(ii,jj) + grid%c2h(kk)\n else\n muhybf = grid%mut(ii,jj)\n muhybh = grid%mut(ii,jj)\n endif\n\n if (turn_on_pv) then\n metcro3d_data_wrf (c,r,kk,1) = tf*2\n else\n metcro3d_data_wrf (c,r,kk,1) = gravi * muhybf / (densf * gridcro2d_data_wrf (c,r,3)) \n end if\n\n metcro3d_data_wrf (c,r,kk,2) = gravi * muhybh / (metcro3d_data_wrf(c,r,kk,12) * gridcro2d_data_wrf (c,r,3)) \n metcro3d_data_wrf (c,r,kk,3) = gravi * muhybh / gridcro2d_data_wrf (c,r,3) \n\n ENDDO\n ENDDO\n ENDDO\n\n metcro3d_data_wrf (:,:,1:nlays,14) = zf (:,:,1:nlays)\n\n!-------------------------------------------------------------------------------\n! Name: Potential Vorticity on Sigma\n! Purpose: Compute potential vorticity on sigma surfaces from Ertel's form.\n! Notes: Formalism based on Ebel et al., \"Simulation of ozone intrusion\n! caused by tropopause fold and cut-off low, Atmos. Environ.,\n! Part A, 25, 2131-2144.\n! Revised: ?? ??? 1999 Original version. (S. McKeen)\n! ?? ??? 2007 Adapted for use in air quality forecasting model.\n! (H.-M. Lin and R. Mathur)\n! 17 Sep 2009 Adapted for MCIP by changing array indexing and using\n! arrays available in MCIP. (T. Otte)\n! 07 Sep 2011 Updated disclaimer. Changed SCALE to SCALEF to avoid\n! conflict with F90 intrinsic. (T. Otte)\n! 05 Sep 2012 Embeded in two-way model from Mcip4.0 (J. XING)\n!-------------------------------------------------------------------------------\n\n!-------------------------------------------------------------------------------\n! Compute vertical gradients using 2nd order polynomials at all levels.\n! Gradients obtained at model sigma levels,\n! not at sigma=.5*(sigma(K+1)+sigma(K-1))\n!-------------------------------------------------------------------------------\n\n IF (TURN_ON_PV) THEN\n IF ( .NOT. ALLOCATED ( xmapc ) ) ALLOCATE ( xmapc ( wrf_c_ncols, wrf_c_nrows) )\n xmapc(:,:) = grid%msftx (tw_sc:tw_ec, tw_sr:tw_er)\n IF ( .NOT. ALLOCATED ( xmapc2 ) ) ALLOCATE ( xmapc2 ( wrf_c_ncols, wrf_c_nrows))\n xmapc2(:,:) = grid%msftx (tw_sc:tw_ec, tw_sr:tw_er) * grid%msftx (tw_sc:tw_ec, tw_sr:tw_er)\n IF ( .NOT. ALLOCATED ( xcorl ) ) ALLOCATE ( xcorl ( wrf_c_ncols, wrf_c_nrows) )\n xcorl(:,:) = grid%f (tw_sc:tw_ec, tw_sr:tw_er)\n\n dx = grid%dx\n dy = grid%dy\n\n dsx = 2.0 * dx\n dsy = 2.0 * dy\n\n DO k = 1, nlays\n IF ( k == 1 ) THEN\n k0 = k\n k1 = k + 1\n k2 = k + 2\n\n f0 = -1.0 / (sigma(k1) - sigma(k0)) - 1.0 / (sigma(k2) - sigma(k0))\n f1 = 1.0 / (sigma(k1) - sigma(k0)) + 1.0 / (sigma(k2) - sigma(k1))\n f2 = -1.0 * ( (sigma(k1) - sigma(k0)) / &\n ( (sigma(k2) - sigma(k0)) * (sigma(k2) - sigma(k1)) ) )\n\n ELSE IF ( k == nlays ) THEN\n\n k0 = k - 2\n k1 = k - 1\n k2 = k\n\n f0 = (sigma(k2) - sigma(k1)) / &\n ( (sigma(k2) - sigma(k0)) * (sigma(k1) - sigma(k0)) )\n f1 = -1.0 / (sigma(k1) - sigma(k0)) - 1.0 / (sigma(k2) - sigma(k1))\n f2 = 1.0 / (sigma(k2) - sigma(k0)) + 1.0 / (sigma(k2) - sigma(k1))\n\n ELSE\n\n k0 = k - 1\n k1 = k\n k2 = k + 1\n \n f0 = -1.0 * (sigma(k2) - sigma(k1)) / &\n ( (sigma(k1) - sigma(k0)) * (sigma(k2) - sigma(k0)) )\n f1 = 1.0 / (sigma(k1) - sigma(k0)) - 1.0 / (sigma(k2) - sigma(k1))\n f2 = (sigma(k1) - sigma(k0)) / &\n ( (sigma(k2) - sigma(k1)) * (sigma(k2) - sigma(k0)) )\n\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Compute vertical derivatives: dU/ds, dV/ds, dTHETA/ds.\n!-------------------------------------------------------------------------------\n\n IF ( .NOT. ALLOCATED ( duds ) ) ALLOCATE ( duds ( wrf_c_ncols, wrf_c_nrows) )\n IF ( .NOT. ALLOCATED ( dvds ) ) ALLOCATE ( dvds ( wrf_c_ncols, wrf_c_nrows) )\n IF ( .NOT. ALLOCATED ( dtdx ) ) ALLOCATE ( dtdx ( wrf_c_ncols, wrf_c_nrows) )\n IF ( .NOT. ALLOCATED ( dtdy ) ) ALLOCATE ( dtdy ( wrf_c_ncols, wrf_c_nrows) )\n IF ( .NOT. ALLOCATED ( dtds ) ) ALLOCATE ( dtds ( wrf_c_ncols, wrf_c_nrows) )\n\n DO r = 1, wrf_c_nrows\n rp1 = r + 1\n DO c = 1, wrf_c_ncols\n cp1 = c + 1\n\n duds(c,r) = 0.5 * ( f0 * ( xuu_s(cp1,r ,k0) + xuu_s(c,r,k0) ) + &\n f1 * ( xuu_s(cp1,r ,k1) + xuu_s(c,r,k1) ) + &\n f2 * ( xuu_s(cp1,r ,k2) + xuu_s(c,r,k2) ) )\n\n dvds(c,r) = 0.5 * ( f0 * ( xvv_t(c ,rp1,k0) + xvv_t(c,r,k0) ) + &\n f1 * ( xvv_t(c ,rp1,k1) + xvv_t(c,r,k1) ) + &\n f2 * ( xvv_t(c ,rp1,k2) + xvv_t(c,r,k2) ) )\n\n ENDDO\n ENDDO\n\n DO r = 1, wrf_c_nrows\n DO c = 1, wrf_c_ncols\n\n t00 = xtheta(c,r,k0)\n t1 = xtheta(c,r,k1)\n t2 = xtheta(c,r,k2)\n\n dtds(c,r) = f0*t00 + f1*t1 + f2*t2\n\n ENDDO\n ENDDO\n\n jj = tw_sr - 1\n DO r = 1, wrf_c_nrows\n jj = jj + 1\n DO c = 2, wrf_c_ncols-1\n t1 = xtheta(c-1,r,k) / xmapc(c-1,r)\n t2 = xtheta(c+1,r,k) / xmapc(c+1,r) \n dtdx(c,r) = xmapc2(c,r) * (t2-t1) / dsx\n ENDDO\n\n IF (west_bdy_pe) THEN\n t1 = xtheta(1,r,k) / xmapc(1,r)\n t2 = xtheta(2,r,k) / xmapc(2,r)\n t3 = xtheta(3,r,k) / xmapc(3,r)\n dtdx(1,r) = xmapc2(1,r) * (-1.5*t1 + 2.0*t2 - 0.5*t3) / dx\n ELSE\n t1 = (grid%t_2(tw_sc-1,k,jj) + t0) / grid%msftx(tw_sc-1,jj)\n t2 = xtheta(2,r,k) / xmapc(2,r)\n dtdx(1,r) = xmapc2(1,r) * (t2-t1) / dsx\n ENDIF\n\n IF (east_bdy_pe) THEN\n t00 = xtheta(wrf_c_ncols-2,r,k) / xmapc(wrf_c_ncols-2,r)\n t1 = xtheta(wrf_c_ncols-1,r,k) / xmapc(wrf_c_ncols-1,r)\n t2 = xtheta(wrf_c_ncols, r,k) / xmapc(wrf_c_ncols, r)\n dtdx(wrf_c_ncols,r) = xmapc2(wrf_c_ncols,r) * (0.5*t00 - 2.0*t1 + 1.5*t2) / dx\n ELSE\n t1 = xtheta(c-1,r,k) / xmapc(c-1,r)\n t2 = (grid%t_2(tw_ec+1,k,jj) + t0) / grid%msftx(tw_ec+1,jj)\n dtdx(wrf_c_ncols,r) = xmapc2(wrf_c_ncols,r) * (t2-t1) / dsx\n ENDIF\n\n ENDDO\n\n ii = tw_sc - 1\n DO c = 1, wrf_c_ncols\n ii = ii + 1\n DO r = 2, wrf_c_nrows-1\n t1 = xtheta(c,r-1,k) / xmapc(c,r-1)\n t2 = xtheta(c,r+1,k) / xmapc(c,r+1)\n dtdy(c,r) = xmapc2(c,r) * (t2-t1) / dsy\n ENDDO ! r\n\n IF (south_bdy_pe) THEN\n t1 = xtheta(c,1,k) / xmapc(c,1)\n t2 = xtheta(c,2,k) / xmapc(c,2)\n t3 = xtheta(c,3,k) / xmapc(c,3)\n dtdy(c,1) = xmapc2(c,1) * (-1.5*t1 + 2.0*t2 - 0.5*t3) / dy\n ELSE\n t1 = (grid%t_2(ii,k,tw_sr-1) + t0) / grid%msftx(ii,tw_sr-1)\n t2 = xtheta(c,2,k) / xmapc(c,2)\n dtdy(c,1) = xmapc2(c,1) * (t2-t1) / dsy\n ENDIF\n\n IF (north_bdy_pe) THEN\n t00 = xtheta(c,wrf_c_nrows-2,k) / xmapc(c,wrf_c_nrows-2)\n t1 = xtheta(c,wrf_c_nrows-1,k) / xmapc(c,wrf_c_nrows-1)\n t2 = xtheta(c,wrf_c_nrows, k) / xmapc(c,wrf_c_nrows)\n dtdy(c,wrf_c_nrows) = xmapc2(c,wrf_c_nrows) * (0.5*t00 - 2.0*t1 + 1.5*t2) / dy\n ELSE\n t1 = xtheta(c,r-1,k) / xmapc(c,r-1)\n t2 = (grid%t_2(ii,k,tw_er+1) + t0)/ grid%msftx(ii,tw_er+1)\n dtdy(c,wrf_c_nrows) = xmapc2(c,wrf_c_nrows) * (t2-t1) / dsy\n ENDIF\n\n ENDDO\n\n!-------------------------------------------------------------------------------\n! Compute slab absolute vorticity, and store potential vorticity in XPVC.\n!\n! 1. Because we use X3 instead of SIGMA in equation,\n! GRAV/PSB is replaced by 1.0/XRHOJM (density * Jacobian).\n!\n! 2. As a shortcut, 1.0/XRHOJM is not included in XPVC here;\n! it will be included in subroutine METCRO before PV is output.\n! 3. Added RHOJ\n!-------------------------------------------------------------------------------\n\n DO r = 1, wrf_c_nrows\n rp1 = r + 1\n\n DO c = 1, wrf_c_ncols\n cp1 = c + 1\n\n vor = xmapc2(c,r) * ((xvv_d(cp1,r, k) + xvv_d(cp1,rp1,k) - &\n xvv_d(c, r, k) - xvv_d(c, rp1,k)) / dsx - &\n (xuu_d(c, rp1,k) + xuu_d(cp1,rp1,k) - &\n xuu_d(c, r, k) - xuu_d(cp1,r, k)) / dsy) + &\n xcorl(c,r)\n\n metcro3d_data_wrf (c,r,k,n_metcro3d_var) = -1.0e6 * ( vor * dtds(c,r) &\n - dvds(c,r) * dtdx(c,r) &\n + duds(c,r) * dtdy(c,r) ) &\n / ( metcro3d_data_wrf (c,r,k,3) * gridcro2d_data_wrf (c,r,3))\n ENDDO\n ENDDO\n ENDDO\n END IF ! turn on pv\n\n call se_wrf_cmaq_comm (twoway_mype, metcro3d_data_wrf, metcro3d_data_cmaq, &\n wrf_cmaq_ce_send_to, wrf_cmaq_ce_recv_from, &\n wrf_cmaq_ce_send_index_l, wrf_cmaq_ce_recv_index_l, 3)\n\n if (wrf_cmaq_option .gt. 1) then\n if ( .not. buf_write3 (fname, allvar3, jdate, jtime, metcro3d_data_cmaq ) ) then\n print *, ' Error: Could not write to file ', fname\n stop\n end if\n end if\n if ((wrf_cmaq_option == 1) .or. (wrf_cmaq_option == 3)) then\n if (mod(time2sec(jtime), file_time_step_in_sec) == 0) then\n write_to_physical_file = .true.\n if ( .not. write3 (pfname, allvar3, jdate, jtime, metcro3d_data_cmaq(tsc_e:tec_e, tsr_e:ter_e, :, :) ) ) then\n print *, ' Error: Could not write to file ', pfname\n stop\n end if\n else\n write_to_physical_file = .false.\n end if\n end if\n\n! --------------------------\n\n if (wrf_cmaq_option .gt. 1) then\n fname = 'MET_DOT_3D'\n end if\n if ((wrf_cmaq_option == 1) .or. (wrf_cmaq_option == 3)) then\n pfname = 'PMET_DOT_3D'\n end if\n\n if (.not. file_opened) then\n call aq_set_ioapi_header ('D', cmaq_de_domain_map(3,1,twoway_mype), cmaq_de_domain_map(3,2,twoway_mype))\n\n mxrec3d = nstep\n\n nlays3d = ioapi_header%nlays\n nvars3d = n_metdot3d_var\n vname3d(1:nvars3d) = metdot3d_vlist\n units3d(1:nvars3d) = metdot3d_units\n tstep3d = cmaq_tstep\n vtype3d = ioapi_header%vtype\n\n if (.not. allocated(metdot3d_data_wrf)) then\n allocate ( metdot3d_data_wrf (wrf_d_ncols, wrf_d_nrows, nlays, nvars3d), stat=stat)\n allocate ( metdot3d_data_cmaq (cmaq_de_domain_map(3,1,twoway_mype), &\n cmaq_de_domain_map(3,2,twoway_mype), nlays, nvars3d), stat=stat)\n tsc_d = 2\n if (east_bdy_pe) then\n tec_d = cmaq_de_domain_map(3,1,twoway_mype) - 1\n else\n tec_d = cmaq_de_domain_map(3,1,twoway_mype) - 2\n end if\n tsr_d = 2\n if (north_bdy_pe) then\n ter_d = cmaq_de_domain_map(3,2,twoway_mype) - 1\n else\n ter_d = cmaq_de_domain_map(3,2,twoway_mype) - 2\n end if\n end if\n\n if (wrf_cmaq_option .gt. 1) then\n if ( .not. open3 (fname, FSRDWR3, pname) ) then\n print *, ' Error: Could not open file ', fname, 'for update'\n if ( .not. open3 (fname, FSNEW3, pname) ) then\n print *, ' Error: Could not open file ', fname\n end if\n end if\n end if\n\n if ((wrf_cmaq_option == 1) .or. (wrf_cmaq_option == 3)) then\n if (twoway_mype == 0) then\n ncols3d = cmaq_c_col_dim + 1\n nrows3d = cmaq_c_row_dim + 1\n tstep3d = file_time_step\n if ( .not. open3 (pfname, FSRDWR3, pname) ) then\n print *, ' Error: Could not open file ', pfname, 'for update'\n if ( .not. open3 (pfname, FSNEW3, pname) ) then\n print *, ' Error: Could not open file ', pfname\n end if\n end if\n end if\n end if\n end if\n\n!-------------------------------------------------------------------------------\n! Fill time-dependent arrays in METDOT3D.\n!-------------------------------------------------------------------------------\n\n !-----------------------------------------------------------------------------\n ! Fill UWINDC and VWINDC directly from WRF arrays.\n !\n ! Note: UWIND and VWIND changed to UWINDC and VWINDC to remind us that\n ! they are on the Arakawa C staggering, not the Arakawa B staggering\n ! that is in MCIP output and is expected in community SMOKE and CMAQ\n ! codes.\n !\n ! Note: If trying to combine triply nested loops for UWINDC/VWINDC with\n ! UHAT_JD/VHAT_JD, the ends for R and C loop counters are different.\n !-----------------------------------------------------------------------------\n\n DO kk = 1, nlays\n jj = tw_sr_d - 1\n DO r = 1, wrf_d_nrows\n jj = jj + 1\n ii = tw_sc_d - 1\n DO c = 1, wrf_d_ncols\n ii = ii + 1\n\n metdot3d_data_wrf (c,r,kk,1) = grid%u_2 (ii,kk,jj) ! C grid staggering, uwindc\n metdot3d_data_wrf (c,r,kk,2) = grid%v_2 (ii,kk,jj) ! C grid staggering, vwindc\n\n ENDDO\n ENDDO\n\n !-----------------------------------------------------------------------------\n ! Compute UHAT_JD and VHAT_JD.\n !\n ! Note: If order of loops is changed so that K is not on outside, JDENM\n ! needs to be allocated and filled in three dimensions.\n !\n ! Note: If trying to combine triply nested loops for UWINDC/VWINDC with\n ! UHAT_JD/VHAT_JD, the ends for R and C loop counters are different.\n !-----------------------------------------------------------------------------\n\n jj = tw_sr - 1\n DO r = 1, wrf_d_nrows\n lrm1 = MAX( r-1, 1 )\n jj = jj + 1\n ii = tw_sc - 1\n DO c = 1, wrf_d_ncols\n ii = ii + 1\n lcm1 = MAX( c-1, 1 )\n\n jdenm (c,r) = gravi * grid%mut(ii,jj) / grid%msftx (ii,jj)\n\n metdot3d_data_wrf(c,r,kk,3) = 0.5 * ( jdenm(lcm1,r) + jdenm(c,r) ) * metdot3d_data_wrf(c,r,kk,1)\n\n metdot3d_data_wrf(c,r,kk,4) = 0.5 * ( jdenm(c,lrm1) + jdenm(c,r) ) * metdot3d_data_wrf(c,r,kk,2)\n\n ENDDO\n ENDDO\n\n !---------------------------------------------------------------------------\n ! Note: Use of NCOLS and NROWS for JDENM in the outermost column/row is\n ! deliberate in UHAT_JD and VHAT_JD calculations. Original code in\n ! MCIP has JDENM defined to NCOLS+1, NROWS+1, but outer row and\n ! column are simply persisted from NCOLS, NROWS.\n !---------------------------------------------------------------------------\n\n ENDDO\n\n call se_wrf_cmaq_comm (twoway_mype, metdot3d_data_wrf, metdot3d_data_cmaq, &\n wrf_cmaq_de_send_to, wrf_cmaq_de_recv_from, &\n wrf_cmaq_de_send_index_l, wrf_cmaq_de_recv_index_l, 4)\n\n if (wrf_cmaq_option .gt. 1) then\n if ( .not. buf_write3 (fname, allvar3, jdate, jtime, metdot3d_data_cmaq ) ) then\n print *, ' Error: Could not write to file ', fname\n stop\n end if\n end if\n if ((wrf_cmaq_option == 1) .or. (wrf_cmaq_option == 3)) then\n if (write_to_physical_file) then\n if ( .not. write3 (pfname, allvar3, jdate, jtime, metdot3d_data_cmaq(tsc_d:tec_d, tsr_d:ter_d, :, :) ) ) then\n print *, ' Error: Could not write to file ', pfname\n stop\n end if\n end if\n end if\n\n! ------------------\n\n if (wrf_cmaq_option .gt. 1) then\n fname = 'MET_CRO_2D'\n end if\n if ((wrf_cmaq_option == 1) .or. (wrf_cmaq_option == 3)) then\n pfname = 'PMET_CRO_2D'\n end if\n\n if (.not. file_opened) then\n call aq_set_ioapi_header ('C', cmaq_ce_domain_map(3,1,twoway_mype), cmaq_ce_domain_map(3,2,twoway_mype))\n\n nlays3d = 1\n mxrec3d = nstep\n nvars3d = n_metcro2d_var\n vname3d(1:nvars3d) = metcro2d_vlist\n units3d(1:nvars3d) = metcro2d_units\n tstep3d = cmaq_tstep\n vtype3d = ioapi_header%vtype\n\n if (.not. allocated(metcro2d_data_wrf)) then\n allocate ( metcro2d_data_wrf (wrf_c_ncols, wrf_c_nrows, nvars3d), stat=stat)\n allocate ( metcro2d_data_cmaq (cmaq_ce_domain_map(3,1,twoway_mype), &\n cmaq_ce_domain_map(3,2,twoway_mype), nvars3d), &\n temp_rainnc (cmaq_ce_domain_map(3,1,twoway_mype), &\n cmaq_ce_domain_map(3,2,twoway_mype)), &\n temp_rainc (cmaq_ce_domain_map(3,1,twoway_mype), &\n cmaq_ce_domain_map(3,2,twoway_mype)), &\n stat=stat)\n temp_rainnc = 0.0\n temp_rainc = 0.0\n end if\n\n if (wrf_cmaq_option .gt. 1) then\n if ( .not. open3 (fname, FSRDWR3, pname) ) then\n print *, ' Error: Could not open file ', fname, 'for update'\n if ( .not. open3 (fname, FSNEW3, pname) ) then\n print *, ' Error: Could not open file ', fname\n end if\n end if\n end if\n\n if ((wrf_cmaq_option == 1) .or. (wrf_cmaq_option == 3)) then\n if (twoway_mype == 0) then\n ncols3d = cmaq_c_col_dim\n nrows3d = cmaq_c_row_dim\n tstep3d = file_time_step\n if ( .not. open3 (pfname, FSRDWR3, pname) ) then\n print *, ' Error: Could not open file ', pfname, 'for update'\n if ( .not. open3 (pfname, FSNEW3, pname) ) then\n print *, ' Error: Could not open file ', pfname\n end if\n end if\n end if\n end if\n file_opened = .true.\n end if\n\n!-------------------------------------------------------------------------------\n! Fill time-dependent arrays for METCRO2D.\n!-------------------------------------------------------------------------------\n\n !-----------------------------------------------------------------------------\n ! Fill friction velocity (USTAR), planetary boundary layer height (PBL),\n ! roughness length (ZRUF), inverse Monin-Obukhov length (MOLI), sensible\n ! heat flux (HFX), aerodynamic resistance (RA), stomatal resistance (RS),\n ! ground temperature (TEMPG), shortwave radiation (GSW), accumulated\n ! non-convective precipitation (RNA), accumulated convective precipitation\n ! (RCA), snow cover flag (SNOCOV), leaf area index (LAI), 2-m temperature\n ! (TEMP2), and canopy moisture content (WR) directly from WRF arrays.\n !\n ! Note: RA and RS are the reciprocals of RADYNI and RSTOMI, respectively.\n ! RA and RS are directly available in WRF, and they are actually\n ! used in CMAQ, rather than the reciprocals RADYNI and RSTOMI, which\n ! are typically part of WRF output.\n !\n ! Note: RNA and RCA are accumulated non-convective and convective precip,\n ! respectively. RN and RC are MCIP \"time step\" buckets (typically\n ! hourly). Can use RNA and RCA from current and previous CMAQ time\n ! steps in two-way model to compute rainfall rates needed in CMAQ.\n !\n ! Note: For rainfall: biogenics code uses cm/h, CMAQ ultimately needs mm/h.\n !-----------------------------------------------------------------------------\n metcro2d_data_wrf (:,:,2) = grid%ust (tw_sc:tw_ec, tw_sr:tw_er) ! ustar\n metcro2d_data_wrf (:,:,4) = grid%pblh (tw_sc:tw_ec, tw_sr:tw_er) ! pbl\n metcro2d_data_wrf (:,:,5) = grid%znt (tw_sc:tw_ec, tw_sr:tw_er) ! zruf\n metcro2d_data_wrf (:,:,6) = grid%rmol (tw_sc:tw_ec, tw_sr:tw_er) ! moli\n metcro2d_data_wrf (:,:,7) = grid%hfx (tw_sc:tw_ec, tw_sr:tw_er) ! hfx\n metcro2d_data_wrf (:,:,8) = grid%ra (tw_sc:tw_ec, tw_sr:tw_er) ! RA = 1/RADNYI\n metcro2d_data_wrf (:,:,9) = grid%rs (tw_sc:tw_ec, tw_sr:tw_er) ! RA = 1/RSTOMI\n metcro2d_data_wrf (:,:,11) = grid%gsw (tw_sc:tw_ec, tw_sr:tw_er) ! gsw\n\n metcro2d_data_wrf (:,:,13) = (grid%rainnc(tw_sc:tw_ec, tw_sr:tw_er) - grid%prev_rainnc(tw_sc:tw_ec,tw_sr:tw_er)) * 0.1 ! RNA = SUM(RN), in cm\n if (wrf_convective_scheme) then\n metcro2d_data_wrf (:,:,14) = (grid%rainc (tw_sc:tw_ec, tw_sr:tw_er) - grid%prev_rainc(tw_sc:tw_ec,tw_sr:tw_er)) * 0.1 ! RCA = SUM(RC), in cm\n else\n metcro2d_data_wrf (:,:,14) = 0.0\n end if\n\n metcro2d_data_wrf (:,:,19) = grid%snowc (tw_sc:tw_ec, tw_sr:tw_er) ! snowcov\n metcro2d_data_wrf (:,:,21) = grid%t2 (tw_sc:tw_ec, tw_sr:tw_er) ! temp2\n metcro2d_data_wrf (:,:,22) = grid%canwat(tw_sc:tw_ec, tw_sr:tw_er) * 0.001 ! wr (in meter)\n metcro2d_data_wrf (:,:,23) = grid%tsk (tw_sc:tw_ec, tw_sr:tw_er) ! tempg\n metcro2d_data_wrf (:,:,25) = grid%isltyp(tw_sc:tw_ec, tw_sr:tw_er) ! soil type\n metcro2d_data_wrf (:,:,26) = grid%q2 (tw_sc:tw_ec, tw_sr:tw_er) ! Q2\n metcro2d_data_wrf (:,:,27) = grid%xice (tw_sc:tw_ec, tw_sr:tw_er) ! seaice\n metcro2d_data_wrf (:,:,28) = grid%smois (tw_sc:tw_ec, 1, tw_sr:tw_er) ! SOIM1\n metcro2d_data_wrf (:,:,29) = grid%smois (tw_sc:tw_ec, 2, tw_sr:tw_er) ! SOIM2\n metcro2d_data_wrf (:,:,30) = grid%tslb (tw_sc:tw_ec, 1, tw_sr:tw_er) ! SOIT1\n metcro2d_data_wrf (:,:,31) = grid%tslb (tw_sc:tw_ec, 2, tw_sr:tw_er) ! SOIT2\n\n metcro2d_data_wrf (:,:,32) = grid%lh (tw_sc:tw_ec, tw_sr:tw_er) ! lh (qfx)\n\n metcro2d_data_wrf (:,:,33) = grid%wwlt_px (tw_sc:tw_ec, tw_sr:tw_er) ! WWLT_PX\n metcro2d_data_wrf (:,:,34) = grid%wfc_px (tw_sc:tw_ec, tw_sr:tw_er) ! WFC_PX\n metcro2d_data_wrf (:,:,35) = grid%wsat_px (tw_sc:tw_ec, tw_sr:tw_er) ! WSAT_PX\n metcro2d_data_wrf (:,:,36) = grid%clay_px (tw_sc:tw_ec, tw_sr:tw_er) ! CLAY_PX\n metcro2d_data_wrf (:,:,37) = grid%csand_px (tw_sc:tw_ec, tw_sr:tw_er) ! CSAND_PX\n metcro2d_data_wrf (:,:,38) = grid%fmsand_px(tw_sc:tw_ec, tw_sr:tw_er) ! FMSAND_PX\n\n\n where (metcro2d_data_wrf (:,:,13) .lt. 0.0)\n metcro2d_data_wrf (:,:,13) = 0.0\n end where\n\n where (metcro2d_data_wrf (:,:,14) .lt. 0.0)\n metcro2d_data_wrf (:,:,14) = 0.0\n end where\n\n !-----------------------------------------------------------------------------\n ! Assign surface pressure (PRSFC) from WRF array P8W (i.e., \"p at w levels\").\n !-----------------------------------------------------------------------------\n\n jj = tw_sr - 1\n DO r = 1, wrf_c_nrows\n jj = jj + 1\n ii = tw_sc - 1\n DO c = 1, wrf_c_ncols\n ii = ii + 1\n metcro2d_data_wrf(c,r,1) = p8w_wrf(ii,1,jj) ! prsfc\n ENDDO\n ENDDO\n\n !-----------------------------------------------------------------------------\n ! Compute convective velocity scale (WSTAR) using a algorithm from MCIP.\n !\n ! Note: KARMAN is defined in WRF module_model_constants. It is the same\n ! value (0.4) that is used in MCIP.\n !-----------------------------------------------------------------------------\n\n jj = tw_sr - 1\n DO r = 1, wrf_c_nrows\n jj = jj + 1\n ii = tw_sc - 1\n DO c = 1, wrf_c_ncols\n ii = ii + 1\n IF ( grid%rmol(ii,jj) < 0.0 ) THEN\n ! wstart = ustar * (pbl * ABS(grid%rmol / karman )) ** 0.3333333\n metcro2d_data_wrf(c,r,3) = metcro2d_data_wrf(c,r,2) * ( metcro2d_data_wrf(c,r,4) * ABS(grid%rmol(ii, jj) / karman ) ) ** 0.3333333\n ELSE\n metcro2d_data_wrf(c,r,3) = 0.0\n END IF\n END DO\n END DO\n\n !-----------------------------------------------------------------------------\n ! Compute WSPD10 from WRF components U10 and V10. WSPD10 should be on\n ! scalar points. Assume here that U10 and V10 are on scalar points in WRF.\n !-----------------------------------------------------------------------------\n\n u10 (:,:) = grid%u10 (tw_sc:tw_ec, tw_sr:tw_er)\n u10 (:,:) = u10(:,:) * u10(:,:)\n v10 (:,:) = grid%v10 (tw_sc:tw_ec, tw_sr:tw_er)\n v10 (:,:) = v10(:,:) * v10(:,:)\n metcro2d_data_wrf (:,:,10) = SQRT( u10(:,:) + v10(:,:) ) ! components already squared, wspd10\n\n !-----------------------------------------------------------------------------\n ! Compute solar radiation reaching the ground (RGRND) from ALBEDO and GSW.\n !\n ! Note: RGRND may not be needed depending on how it is used by biogenics.\n !-----------------------------------------------------------------------------\n\n albedo (:,:) = grid%albedo(tw_sc:tw_ec, tw_sr:tw_er)\n metcro2d_data_wrf (:,:,12) = metcro2d_data_wrf(:,:,11) / (1.0 - albedo(:,:))\n\n !-----------------------------------------------------------------------------\n ! Get VEG and LAI from WRF dependent on WRF LSM option and WRF version number.\n ! Also if WRF VEGFRA is used, it's in percent. Convert to fraction.\n ! Also if PX MODIS version (WRFv4.1+) is used, add PX soil properties to MCIP\n ! file for updated dust model. If PX MODIS is not used set to missing value\n ! that will trigger old soil category based calculations in DUST_EMIS.F\n !-----------------------------------------------------------------------------\n if (config_flags%sf_surface_physics == 7) then\n metcro2d_data_wrf (:,:,20) = grid%vegf_px (tw_sc:tw_ec, tw_sr:tw_er)\n else\n metcro2d_data_wrf (:,:,20) = grid%vegfra (tw_sc:tw_ec, tw_sr:tw_er) * 0.01\n end if\n\n if(px_modis) then \n metcro2d_data_wrf (:,:,24) = grid%lai_px(tw_sc:tw_ec, tw_sr:tw_er) \n metcro2d_data_wrf (:,:,33) = grid%wwlt_px (tw_sc:tw_ec, tw_sr:tw_er)\n metcro2d_data_wrf (:,:,34) = grid%wfc_px (tw_sc:tw_ec, tw_sr:tw_er)\n metcro2d_data_wrf (:,:,35) = grid%wsat_px (tw_sc:tw_ec, tw_sr:tw_er) \n metcro2d_data_wrf (:,:,36) = grid%clay_px (tw_sc:tw_ec, tw_sr:tw_er)\n metcro2d_data_wrf (:,:,37) = grid%csand_px (tw_sc:tw_ec, tw_sr:tw_er)\n metcro2d_data_wrf (:,:,38) = grid%fmsand_px(tw_sc:tw_ec, tw_sr:tw_er)\n else \n metcro2d_data_wrf (:,:,24) = grid%lai(tw_sc:tw_ec, tw_sr:tw_er)\n metcro2d_data_wrf (:,:,33) = -9999.\n metcro2d_data_wrf (:,:,34) = -9999.\n metcro2d_data_wrf (:,:,35) = -9999.\n metcro2d_data_wrf (:,:,36) = -9999.\n metcro2d_data_wrf (:,:,37) = -9999.\n metcro2d_data_wrf (:,:,38) = -9999.\n end if \n\n !-----------------------------------------------------------------------------\n ! Compute total cloud fraction (CFRAC), cloud top layer height (CLDT), \n ! cloud bottom layer height (CLDB), and average liquid water content of\n ! cloud (WBAR) using a modified MCIP subroutine.\n !-----------------------------------------------------------------------------\n\n CALL bcldprc_ak (wrf_c_ncols, wrf_c_nrows, nlays, zf, metcro3d_data_wrf(:,:,:,4), &\n metcro3d_data_wrf(:,:,:,11), metcro3d_data_wrf(:,:,:,5), metcro2d_data_wrf(:,:,4), &\n dzf, presf, metcro2d_data_wrf(:,:,15), &\n metcro2d_data_wrf(:,:,17), metcro2d_data_wrf(:,:,16), metcro2d_data_wrf(:,:,18))\n\n call se_wrf_cmaq_comm (twoway_mype, metcro2d_data_wrf, metcro2d_data_cmaq, &\n wrf_cmaq_ce_send_to, wrf_cmaq_ce_recv_from, &\n wrf_cmaq_ce_send_index_l, wrf_cmaq_ce_recv_index_l, 5)\n\n temp_rainnc = temp_rainnc + metcro2d_data_cmaq(:,:,13)\n if (wrf_convective_scheme) then\n temp_rainc = temp_rainc + metcro2d_data_cmaq(:,:,14)\n end if\n\n if (wrf_cmaq_option .gt. 1) then\n if ( .not. buf_write3 (fname, allvar3, jdate, jtime, metcro2d_data_cmaq ) ) then\n print *, ' Error: Could not write to file ', fname\n stop\n end if\n end if\n if ((wrf_cmaq_option == 1) .or. (wrf_cmaq_option == 3)) then\n if (write_to_physical_file) then\n do v = 1, n_metcro2d_var \n if (v == 13) then\n if ( .not. write3 (pfname, metcro2d_vlist(v), jdate, jtime, temp_rainnc(tsc_c:tec_c, tsr_c:ter_c) ) ) then\n print *, ' Error: Could not write to file ', pfname\n stop\n end if\n else if (v == 14) then\n if ( .not. write3 (pfname, metcro2d_vlist(v), jdate, jtime, temp_rainc(tsc_c:tec_c, tsr_c:ter_c) ) ) then\n print *, ' Error: Could not write to file ', pfname\n stop\n end if\n else\n if ( .not. write3 (pfname, metcro2d_vlist(v), jdate, jtime, metcro2d_data_cmaq(tsc_c:tec_c, tsr_c:ter_c, v) ) ) then\n print *, ' Error: Could not write to file ', pfname\n stop\n end if\n end if\n end do\n write_to_physical_file = .false.\n temp_rainnc = 0.0\n temp_rainc = 0.0\n end if\n end if\n\n CALL NEXTIME( JDATE, JTIME, cmaq_tstep)\n\n!-------------------------------------------------------------------------------\n\nCONTAINS\n\nSUBROUTINE aq_header (ncols, nrows, gncols, gnrows, nlays, sdate, stime, dx, dy, &\n delta_x, delta_y, map_proj, truelat1, truelat2, moad_cen_lat, &\n cen_lon, stand_lon, ptop, znw, lat_llc, lon_llc, wrf_lc_ref_lat)\n\n!-------------------------------------------------------------------------------\n! Name: AQ Header\n! Purpose: Fill M3IO header variables for CMAQ in WRF-CMAQ two-way system.\n! Revised: 02 Apr 2007 Original version. (T. Otte)\n! 11 Apr 2007 (David Wong)\n! -- store info in variable ioapi_header\n!-------------------------------------------------------------------------------\n\n USE twoway_header_data_module\n\n use utilio_defn\n\n IMPLICIT NONE\n\n REAL, INTENT(IN) :: dx ! [m]\n REAL, INTENT(IN) :: dy ! [m]\n REAL, INTENT(IN) :: lat_llc\n REAL, INTENT(IN) :: lon_llc\n INTEGER, INTENT(IN) :: map_proj, delta_x, delta_y\n REAL, INTENT(IN) :: moad_cen_lat\n REAL, INTENT(IN) :: cen_lon\n INTEGER, INTENT(IN) :: ncols, gncols\n INTEGER, INTENT(IN) :: nrows, gnrows\n INTEGER, INTENT(IN) :: nlays\n INTEGER, INTENT(IN) :: sdate\n INTEGER, INTENT(IN) :: stime\n REAL, INTENT(IN) :: ptop ! model top [Pa]\n REAL, INTENT(IN) :: stand_lon\n REAL, INTENT(IN) :: truelat1\n REAL, INTENT(IN) :: truelat2\n REAL, INTENT(IN) :: znw ( : )\n REAL, INTENT(IN) :: wrf_lc_ref_lat\n\n CHARACTER*16 :: coordnam_gd\n INTEGER :: gdtyp_gd\n INTEGER :: kvert\n REAL(8) :: p_alp_gd\n REAL(8) :: p_bet_gd\n REAL(8) :: p_gam_gd\n REAL :: vgtop_gd\n CHARACTER*16 :: vgtpun_gd\n REAL, ALLOCATABLE :: vglvs_gd ( : )\n CHARACTER*16 :: vglvun_gd\n REAL, ALLOCATABLE :: x3face_gd ( : )\n REAL :: xorig ! X-origin [m]\n REAL(8) :: xxx\n REAL :: yorig ! Y-origin [m]\n REAL(8) :: yyy\n REAL :: ref_lat\n REAL :: cntrx, cntry\n REAL :: xtemp, ytemp\n\n INTEGER :: GRID_SIZE, DOMAIN_TYPE, STAT\n\n logical :: use_hard_code_values\n\n!-------------------------------------------------------------------------------\n! Define map projection identifiers for M3IO.\n!-------------------------------------------------------------------------------\n\n ioapi_header%ncols = ncols\n ioapi_header%nrows = nrows\n ioapi_header%nlays = nlays\n ioapi_header%nthik = 1\n ioapi_header%sdate = sdate\n ioapi_header%stime = stime\n\n SELECT CASE ( map_proj )\n\n CASE (1) ! Lambert conformal\n gdtyp_gd = lamgrd3 ! in PARMS3\n p_alp_gd = DBLE( MIN(truelat1, truelat2) )\n p_bet_gd = DBLE( MAX(truelat1, truelat2) )\n p_gam_gd = DBLE( stand_lon )\n\n CASE (2) ! polar stereographic\n gdtyp_gd = polgrd3 ! in PARMS3\n p_alp_gd = DBLE( SIGN(1.0, moad_cen_lat) )\n p_bet_gd = DBLE( truelat1 )\n p_gam_gd = DBLE( stand_lon )\n\n CASE (3) ! Mercator\n gdtyp_gd = EQMGRD3 ! in PARMS3\n p_alp_gd = 0.0\n p_bet_gd = 0.0\n p_gam_gd = DBLE( stand_lon )\n\n END SELECT\n\n ioapi_header%vtype = m3real\n\n ioapi_header%gdtyp = gdtyp_gd\n ioapi_header%p_alp = p_alp_gd\n ioapi_header%p_bet = p_bet_gd\n ioapi_header%p_gam = p_gam_gd\n\n!-------------------------------------------------------------------------------\n! Define grid location for M3IO. Use center of projection as reference point\n! for XCENT and YCENT. Compute XORIG and YORIG with respect to XCENT and YCENT.\n!\n! Note: After the call to LATLON_TO_XY, the REAL coordinates of the center of\n! the projection (XXX, YYY) may not be \"exact\". Will need to adjust the\n! values of XORIG and YORIG such that they are multiples of 0.5*DX and\n! 0.5*DY. (This may not be a universal assumption, but it is a practical\n! assumption for two-way modeling...at least initially.)\n!\n! Note: DX and DY are the same for our application.\n!\n! (XCENT_GD, YCENT_GD):\n! For most projections, these are the longitude, -180 < X <= 180, and the\n! latitude, -90 <= Y <= 90, for the center of the grid's respective Cartesian\n! coordinate system. Units are meters.\n! For UTM: UTM coordinates of the origin for offset UTM coordinates (or are\n! (0,0) for Equator-based UTM coordinates).\n! For Lat-Lon: unused\n!-------------------------------------------------------------------------------\n\n IF ( map_proj == 1 ) THEN\n ioapi_header%xcent = stand_lon\n IF ( wrf_lc_ref_lat > 0.0) THEN\n ref_lat = wrf_lc_ref_lat\n ELSE\n ref_lat = ( truelat1 + truelat2 ) * 0.5\n ENDIF\n ioapi_header%ycent = ref_lat\n\n CALL ll2xy_lam (moad_cen_lat, cen_lon, truelat1, truelat2, stand_lon, ref_lat, xxx, yyy)\n\n ELSE IF ( map_proj == 2 ) THEN\n ioapi_header%xcent = stand_lon\n ioapi_header%ycent = moad_cen_lat\n CALL ll2xy_ps (moad_cen_lat, cen_lon, truelat1, cen_lon, xxx, yyy)\n ELSE IF ( map_proj == 3 ) THEN\n ioapi_header%xcent = stand_lon\n ioapi_header%ycent = 0.0\n ELSE\n write (6, *) ' Unknown projection '\n END IF\n\n nthik = 1\n cntrx = FLOAT(gncols - 1)/2.0 + 1.0\n cntry = FLOAT(gnrows - 1)/2.0 + 1.0\n\n xorig = xxx - DBLE( cntrx - FLOAT(delta_x+nthik) ) * DBLE(dx)\n yorig = yyy - DBLE( cntry - FLOAT(delta_y+nthik) ) * DBLE(dy)\n! xorig = xxx - DBLE( cntrx - 0.5 ) * DBLE(dx)\n! yorig = yyy - DBLE( cntry - 0.5 ) * DBLE(dy)\n\n! IF ( wrf_lc_ref_lat > -999.0 ) THEN ! adjust XORIG and YORIG\n IF ( moad_cen_lat > -999.0 ) THEN ! adjust XORIG and YORIG\n\n xtemp = xorig / 5.0\n ytemp = yorig / 5.0\n xtemp = FLOAT(NINT(xtemp))\n ytemp = FLOAT(NINT(ytemp))\n xorig = xtemp * 5.0\n yorig = ytemp * 5.0\n\n ENDIF\n\n ioapi_header%xorig = xorig\n ioapi_header%yorig = yorig\n\n!-------------------------------------------------------------------------------\n! Fill horizontal grid spacing.\n!-------------------------------------------------------------------------------\n\n ioapi_header%xcell = dx\n ioapi_header%ycell = dy\n\n!-------------------------------------------------------------------------------\n! Define vertical grid.\n!-------------------------------------------------------------------------------\n\n ioapi_header%vgtyp = vgwrfem ! in PARMS3\n\n ioapi_header%vgtop = ptop\n\n ioapi_header%vglvs(1:nlays+1) = znw\n! ioapi_header%vglvs(1:nlays) = znw\n! ioapi_header%vglvs(nlays+1) = 0.0\n\n!-------------------------------------------------------------------------------\n! Define other identifiers.\n!-------------------------------------------------------------------------------\n\n ioapi_header%gdnam = \"WRF-CMAQ\"\n\nEND SUBROUTINE aq_header\n\n!-------------------------------------------------------------------------------\n\nSUBROUTINE ll2xy_lam (phi, lambda, phi1, phi2, lambda0, phi0, xx, yy)\n\n!-------------------------------------------------------------------------------\n! Name: Latitude-Longitude to (X,Y) for Lambert Conformal Projection\n! Purpose: Determines secant or tangent Lambert conformal case, and calls\n! appropriate routine.\n! Revised: 03 Jun 2008 Original version. (T. Otte)\n! 26 Nov 2008 Added argument for reference latitude, PHI0.\n! Prevent users from having tangent Lambert conformal\n! case until it can be tested with the Spatial\n! Allocator. (Known problem is that the Spatial\n! Allocator does not work properly when the\n! reference latitude is equal to the first true\n! latitude. Work-around is to set reference latitude\n! to average of true latitudes for Lambert conformal.\n! But average of true latiudes for tangent Lambert\n! conformal case is the first true latitude, which\n! will result in the same problem as solution used\n! in MCIPv3.4.) (T. Otte)\n!-------------------------------------------------------------------------------\n\n IMPLICIT NONE\n\n REAL, INTENT(IN) :: lambda ! longitude [deg]\n REAL, INTENT(IN) :: lambda0 ! standard longitude [deg]\n REAL, INTENT(IN) :: phi ! latitude [deg]\n REAL, INTENT(IN) :: phi0 ! reference latitude [deg]\n REAL, INTENT(IN) :: phi1 ! true latitude 1 [deg]\n REAL, INTENT(IN) :: phi2 ! true latitude 2 [deg]\n REAL(8), INTENT(OUT) :: xx ! X-coordinate from origin\n REAL(8), INTENT(OUT) :: yy ! Y-coordinate from origin\n\n REAL, PARAMETER :: phitol = 0.001 ! tolerance [deg]\n\n CHARACTER*16, PARAMETER :: pname = 'LL2XY_LAM'\n\n!-------------------------------------------------------------------------------\n! Determine whether Lambert conformal is tangent or secant.\n!-------------------------------------------------------------------------------\n\n IF ( ABS( phi1 - phi2 ) < phitol ) THEN ! tangent case\n WRITE (6,9000) phi1, phi2\n PRINT *, 'Error: Lambert conformal is tangent '\n STOP\n ELSE ! secant case\n CALL ll2xy_lam_sec (phi, lambda, phi1, phi2, lambda0, phi0, xx, yy)\n ENDIF\n\n RETURN\n\n!-------------------------------------------------------------------------------\n! Error-handling section.\n!-------------------------------------------------------------------------------\n\n 9000 FORMAT (/, 1x, 70('*'), &\n /, 1x, '*** SUBROUTINE: LL2XY_LAM', &\n /, 1x, '*** TANGENT LAMBERT CONFORMAL PROJECTION DETECTED', &\n /, 1x, '*** TRUE LATITUDES = ', f8.3, 2x, f8.3, &\n /, 1x, '*** MAY NOT WORK PROPERLY IN SPATIAL ALLOCATOR', &\n /, 1x, '*** ...PLEASE SUBMIT BUGZILLA TICKET TO INVESTIGATE', &\n /, 1x, 70('*'))\n\nEND SUBROUTINE ll2xy_lam\n\n!-------------------------------------------------------------------------------\n\nSUBROUTINE ll2xy_lam_sec (phi, lambda, phi1, phi2, lambda0, phi0, xx, yy)\n\n!-------------------------------------------------------------------------------\n! Name: Latitude-Longitude to (X,Y) for Lambert Conformal Projection\n! Purpose: Calcluates (X,Y) from origin for a given latitude-longitude pair\n! and Lambert conformal projection information for secant case.\n! Notes: Equations taken from \"Map Projections: Theory and Applications\"\n! by Frederick Pearson, II (1990), pp. 181-182.\n! Revised: 03 Jun 2008 Original version. (T. Otte)\n! 04 Dec 2008 Added argument for reference latitude, PHI0.\n! Changed routine so it is no longer hard-wired to\n! have a reference latitude at the first true\n! latitude. (T. Otte and J. Pleim)\n! 17 Sep 2009 Corrected inline comments associated with definitions\n! of RHO and RHO0. Corrected calculation of PSI (with\n! no impact on results). (T. Otte)\n!-------------------------------------------------------------------------------\n\n IMPLICIT NONE\n\n REAL, INTENT(IN) :: lambda ! longitude [deg]\n REAL, INTENT(IN) :: lambda0 ! standard longitude [deg]\n REAL, INTENT(IN) :: phi ! latitude [deg]\n REAL, INTENT(IN) :: phi0 ! reference latitude [deg]\n REAL, INTENT(IN) :: phi1 ! true latitude 1 [deg]\n REAL, INTENT(IN) :: phi2 ! true latitude 2 [deg]\n REAL(8), INTENT(OUT) :: xx ! X-coordinate from origin\n REAL(8), INTENT(OUT) :: yy ! Y-coordinate from origin\n\n REAL, PARAMETER :: rearth = 6370000.0 ! [m]\n\n REAL(8) :: deg2rad ! convert degrees to radians\n REAL(8) :: dlambda ! delta lambda\n REAL(8) :: drearth ! double-precision radius of earth [m]\n REAL(8) :: phirad ! latitude [rad]\n REAL(8) :: phi0rad ! reference latitude [rad]\n REAL(8) :: phi1rad ! true latitude 1 [rad]\n REAL(8) :: phi2rad ! true latitude 2 [rad]\n REAL(8) :: pi\n REAL(8) :: piover4 ! pi/4\n REAL(8) :: psi ! auxiliary function\n REAL(8) :: rho ! polar radius to latitude phi\n REAL(8) :: rho0 ! polar radius to origin\n REAL(8) :: term\n REAL(8) :: term0\n REAL(8) :: term1\n REAL(8) :: term2\n REAL(8) :: theta ! polar angle\n REAL(8) :: sinphi0 ! cone constant\n\n!-------------------------------------------------------------------------------\n! Compute constants.\n!-------------------------------------------------------------------------------\n\n piover4 = DATAN(1.0d0)\n pi = 4.0d0 * piover4\n deg2rad = pi / 1.8d2\n\n drearth = DBLE(rearth)\n\n!-------------------------------------------------------------------------------\n! Compute cone constant, SINPHI0.\n! Note: PHI0 is the reference latitude, which is user-defined. It is NOT\n! used in the calculation of SINPHI0, which is the cone constant.\n!-------------------------------------------------------------------------------\n\n phi0rad = DBLE(phi0) * deg2rad ! convert PHI0 from degrees to radians\n phi1rad = DBLE(phi1) * deg2rad ! convert PHI1 from degrees to radians\n phi2rad = DBLE(phi2) * deg2rad ! convert PHI2 from degrees to radians\n\n term0 = DTAN (piover4 - phi0rad/2.0d0)\n term1 = DTAN (piover4 - phi1rad/2.0d0)\n term2 = DTAN (piover4 - phi2rad/2.0d0)\n\n sinphi0 = DLOG ( DCOS(phi1rad) / DCOS(phi2rad) )\n sinphi0 = sinphi0 / DLOG (term1 / term2)\n\n!-------------------------------------------------------------------------------\n! Compute polar angle, THETA.\n!-------------------------------------------------------------------------------\n\n dlambda = DBLE(lambda - lambda0) * deg2rad\n theta = dlambda * sinphi0\n\n!-------------------------------------------------------------------------------\n! Compute polar radius to origin, RHO0, where origin is at PHI0.\n!-------------------------------------------------------------------------------\n\n psi = drearth * DCOS(phi1rad) / sinphi0 / (term1**sinphi0)\n rho0 = psi * (term0**sinphi0)\n\n!-------------------------------------------------------------------------------\n! Compute polar radius to latitude PHI, RHO.\n!-------------------------------------------------------------------------------\n\n phirad = DBLE(phi) * deg2rad ! convert PHI from degrees to radians\n term = DTAN (piover4 - phirad/2.0d0)\n rho = psi * (term**sinphi0)\n\n!-------------------------------------------------------------------------------\n! Compute Cartesian coordinates, XX and YY.\n!-------------------------------------------------------------------------------\n\n xx = rho * DSIN(theta)\n yy = rho0 - rho * DCOS(theta)\n\nEND SUBROUTINE ll2xy_lam_sec\n\nSUBROUTINE ll2xy_ps (phi, lambda, phi1, lambda0, xx, yy)\n\n!-------------------------------------------------------------------------------\n! Name: Latitude-Longitude to (X,Y) for Polar Stereographic Projection\n! Purpose: Calcluates (X,Y) from origin for a given latitude-longitude pair\n! and polar stereographic projection information.\n! Notes: Adapted from equations found at http://starbase.jpl.nasa.gov/\n! mgn-v-rdrs-5-dvdr-v1.0/gvdr0001/catalog/dsmp.lbl.\n! Revised: 28 Sep 2009 Original version. (T. Otte)\n!-------------------------------------------------------------------------------\n\n IMPLICIT NONE\n\n REAL, INTENT(IN) :: lambda ! longitude [deg]\n REAL, INTENT(IN) :: lambda0 ! standard longitude [deg]\n REAL, INTENT(IN) :: phi ! latitude [deg]\n REAL, INTENT(IN) :: phi1 ! true latitude 1 [deg]\n REAL(8), INTENT(OUT) :: xx ! X-coordinate from origin\n REAL(8), INTENT(OUT) :: yy ! Y-coordinate from origin\n\n REAL, PARAMETER :: rearth = 6370000.0 ! [m]\n\n REAL(8) :: deg2rad ! convert degrees to radians\n REAL(8) :: drearth ! earth radius [m]\n REAL(8) :: hemi ! +/-1 for Northern/Southern Hemis\n REAL(8) :: phirad ! latitude [rad]\n REAL(8) :: phi1rad ! true latitude 1 [rad]\n REAL(8) :: pi\n REAL(8) :: piover4 ! pi/4\n REAL(8) :: scalefac\n REAL(8) :: sigma ! image scale\n REAL(8) :: theta ! polar angle\n REAL(8) :: tt\n\n!-------------------------------------------------------------------------------\n! Compute constants.\n!-------------------------------------------------------------------------------\n\n piover4 = DATAN(1.0d0)\n pi = 4.0d0 * piover4\n deg2rad = pi / 1.8d2\n\n drearth = DBLE(rearth)\n\n!-------------------------------------------------------------------------------\n! Compute image scale, SIGMA.\n!-------------------------------------------------------------------------------\n\n hemi = DSIGN (1.0d0, DBLE(phi1))\n\n phi1rad = DBLE(phi1) * deg2rad ! convert PHI1 from degrees to radians\n phirad = DBLE(phi) * deg2rad ! convert PHI from degrees to radians\n\n!!!TLO sigma = (1.0d0 + DSIN(phi1rad)) / (1.0d0 + DSIN(pi)) ! at pole\n sigma = (1.0d0 + DSIN(phi1rad)) / 2.0d0 * hemi\n\n scalefac = drearth / sigma\n\n tt = DTAN ( piover4 - phirad/2.0d0)\n\n!-------------------------------------------------------------------------------\n! Compute polar angle, THETA.\n!-------------------------------------------------------------------------------\n\n theta = DBLE(lambda - lambda0) * deg2rad\n\n!-------------------------------------------------------------------------------\n! Compute Cartesian coordinates, XX and YY.\n!-------------------------------------------------------------------------------\n\n xx = 2.0d0 * scalefac * tt * DSIN(theta)\n yy = -hemi * 2.0d0 * scalefac * tt * DCOS(theta)\n\nEND SUBROUTINE ll2xy_ps\n\nEND SUBROUTINE aqprep\n" }, { "path": "CCTM/src/twoway/twoway_aqprep_util.F90", "content": "SUBROUTINE bcldprc_ak (wrf_ncols, wrf_nrows, nlays, &\n zf, ta, pres, qv, pbl, dzf, presf, &\n cfrac, cldb, cldt, wbar)\n\n!-------------------------------------------------------------------------------\n! Name: Cloud Processor for Anthes-Kuo Scheme\n! Purpose: Determine the base and top of cloudy layers, as well as the mean\n! water content and fractional area of cloud coverage using JEP H54 \n! cloud and photolysis scheme. (ANTHES-KUO scheme)\n! Revised: 20 Mar 1991 Original version. (CJW)\n! 27 Oct 1995 Modified. (C. Ingram)\n! 05 Feb 1997 Updated for Models-3. (D. Byun)\n! 04 Feb 1998 Changed include method nonglobal includes. (D. Byun)\n! 10 Sep 2001 Converted to free-form f90. Changed CCOV to\n! allocatable. Changed vertical dimension of CCOV\n! from MAXK to METLAY. (T. Otte)\n! 27 Feb 2002 Corrected bug that persisted cloud base arrays when\n! clouds had dissipated. (T. Otte and S. Roselle)\n! 08 Jul 2004 Changed local array allocation to occur only on\n! initial call to subroutine to avoid memory\n! fragmentation. Removed XFLAGS. (T. Otte)\n! 04 Apr 2007 Modified for AQPREP. Combined two sets of column and\n! row loops into a single loop. Eliminated low, middle,\n! and high cloud calculation. Converted CCOV to a 1D\n! array. Changed constants to WRF-based names (and\n! values). Changed internal variable names to match\n! AQPREP names. Added argument list.\n! (T. Otte)\n!-------------------------------------------------------------------------------\n\n USE module_model_constants\n\n IMPLICIT NONE\n\n INCLUDE SUBST_CONST\n\n INTEGER, INTENT(IN) :: wrf_ncols\n INTEGER, INTENT(IN) :: wrf_nrows\n INTEGER, INTENT(IN) :: nlays\n REAL, INTENT(IN) :: zf ( : , : , : )\n REAL, INTENT(IN) :: ta ( : , : , : )\n REAL, INTENT(IN) :: pres ( : , : , : )\n REAL, INTENT(IN) :: qv ( : , : , : )\n REAL, INTENT(IN) :: pbl ( : , : )\n REAL, INTENT(IN) :: dzf ( : , : , : )\n REAL, INTENT(IN) :: presf ( : , : , : )\n REAL, INTENT(OUT) :: cfrac ( : , : )\n REAL, INTENT(OUT) :: cldb ( : , : )\n REAL, INTENT(OUT) :: cldt ( : , : )\n REAL, INTENT(OUT) :: wbar ( : , : )\n\n INTEGER :: c\n REAL :: cbase\n REAL :: ccmax\n REAL, ALLOCATABLE :: ccov ( : )\n REAL :: ctop\n REAL :: dp\n REAL :: dtdp\n REAL :: e_aerk\n REAL :: esat1\n REAL :: frac\n INTEGER :: iflag\n INTEGER :: itr\n INTEGER :: k\n INTEGER :: kbase\n INTEGER :: kct\n INTEGER :: kmx\n INTEGER :: ktop\n REAL, PARAMETER :: mvoma = 0.622\n REAL :: pbar\n REAL :: pbase\n REAL :: plcl\n REAL :: prs\n REAL :: qlcl\n REAL :: qsat\n REAL :: qwat\n REAL :: qwsa\n INTEGER :: r\n REAL :: rh\n REAL :: rhc\n REAL :: sg1\n REAL :: sumz\n REAL :: tad\n REAL :: tbar\n REAL :: tbase\n REAL :: tempc\n REAL :: tlcl\n REAL :: twc\n! REAL, PARAMETER :: vp0 = svp1 * 1000.0 ! cb -> Pa\n REAL :: wl\n REAL :: wtbar\n REAL :: x1\n\n!-------------------------------------------------------------------------------\n! Statement functions.\n!-------------------------------------------------------------------------------\n\n ! Saturation vapor pressure [Pa]\n\n e_aerk(tempc) = vp0 * EXP( 17.625 * tempc / ( 243.04 + tempc ) )\n\n qsat(esat1,prs) = esat1 * mvoma / ( prs - esat1 )\n\n!-------------------------------------------------------------------------------\n! Initialize all cloud variables.\n!-------------------------------------------------------------------------------\n\n IF ( .NOT. ALLOCATED (ccov) ) THEN\n ALLOCATE ( ccov ( nlays ) )\n ENDIF\n\n wbar (:,:) = 0.0\n cldb (:,:) = 0.0\n cldt (:,:) = 0.0\n cfrac (:,:) = 0.0\n ccov (:) = 0.0\n\n!-------------------------------------------------------------------------------\n! Loop over grid points to compute cloud parameters.\n!-------------------------------------------------------------------------------\n\n DO c = 1, wrf_ncols\n DO r = 1, wrf_nrows\n\n !-------------------------------------------------------------------------\n ! Compute cloud coverage.\n !-------------------------------------------------------------------------\n\n kmx = 1\n\n DO k = 1, nlays\n\n ! Define RH and critical RH of all layers.\n\n rh = qv(c,r,k) / qsat( e_aerk( ta(c,r,k)-svpt0 ), pres(c,r,k) )\n rh = MIN(rh,1.0)\n\n ! Set RHC to at least 98% in PBL - JEP 5/91\n\n! IF ( zf(c,r,k-1) < pbl(c,r) ) THEN\n IF ( zf(c,r,k) < pbl(c,r) ) THEN ! zf (1:35) due to f90 \n\n rhc = 0.98\n kmx = k\n\n IF ( rh > rhc ) THEN\n\n ! CBL mixing induced clouds should not exceed the frac area of \n ! the updrafts at top of cbl, les estimates are ~34%\n ! (Schumann 89, and Wyngaard and Brost 84)\n\n ccov(k) = 0.34 * ( rh - rhc ) / ( 1.0 - rhc )\n ELSE\n ccov(k) = 0.0\n ENDIF\n\n ELSE\n\n sg1 = pres(c,r,k) / pres(c,r,kmx)\n rhc = 1.0 - ( 2.0 * sg1 * (1.0-sg1) * (1.0 + 1.732*(sg1-0.5)) )\n\n IF ( rh > rhc ) THEN\n ccov(k) = ( (rh - rhc)/(1.0 - rhc) )**2 ! Geleyn et al., 1982\n ELSE\n ccov(k) = 0.0\n ENDIF\n\n ENDIF\n\n ccov(k) = MAX( MIN( ccov(k), 1.0 ), 0.0 )\n\n ENDDO\n\n !-------------------------------------------------------------------------\n ! Locate cloud top and cloud bottom, and compute average liquid water\n ! content.\n !-------------------------------------------------------------------------\n\n kct = 0\n kbase = 0\n ktop = 0\n ccmax = 0.0\n\n ! Determine level of highest rh relative to RHC.\n\n DO k = 2, nlays-1\n IF ( ccov(k) > ccmax ) THEN\n ccmax = ccov(k)\n kct = k\n ENDIF\n ENDDO\n\n frac = 0.0\n cbase = 0.0\n ctop = 0.0\n wtbar = 0.0\n sumz = 0.0\n\n ! Exit with no cloud values if RH < RHC at all levels.\n\n IF ( ccmax < 0.01 ) THEN\n cldt(c,r) = 0.0\n cldb(c,r) = 0.0\n CYCLE\n ENDIF\n\n ! Look for cloud top and base layer up and down from level of max RH.\n\n top: DO k = kct, nlays\n ktop = k - 1\n IF ( ccov(k) < 0.5*ccmax ) EXIT top\n ENDDO top\n\n bottom: DO k = kct, 1, -1\n kbase = k + 1\n IF ( ccov(k) < 0.5*ccmax ) EXIT bottom\n ENDDO bottom\n\n DO k = 1, ktop\n IF ( k < kbase ) cbase = cbase + dzf(c,r,k) ! <-- check indexing\n ctop = ctop + dzf(c,r,k) ! TLO 4 Apr 07\n ENDDO\n\n cldt(c,r) = ctop\n cldb(c,r) = cbase\n\n ! We need pres. at the bottom of the lowest layer containing clouds.\n ! Temp. and qv at cloud base are for mid layer values.\n\n plcl = presf(c,r,kbase-1)\n\n tlcl = ( plcl - pres(c,r,kbase) ) / &\n ( pres(c,r,kbase-1) - pres(c,r,kbase) ) * &\n ( ta (c,r,kbase-1) - ta (c,r,kbase) ) + &\n ta(c,r,kbase)\n\n qlcl = qsat( e_aerk( tlcl - svpt0 ), plcl )\n\n iflag = 0\n pbase = plcl\n tbase = tlcl\n\n ! Follow moist adiabat up.\n\n DO k = kbase, ktop\n\n dp = pbase - pres(c,r,k)\n pbar = pbase - dp / 2.0\n tbar = tbase\n\n DO itr = 1, 5\n x1 = xlv * qsat( e_aerk( tbar-svpt0 ), pbar ) / ( r_d * tbar )\n dtdp = r_d * tbar / pbar / cpd * ( ( 1.0 + x1 ) / &\n ( 1.0 + mvoma * xlv / cpd / tbar * x1 ) )\n tad = tbase - dp * dtdp\n tbar = ( tad + tbase ) * 0.5\n ENDDO\n\n ! Determine water content by fraction of adiabatic.\n\n tad = MAX(tad, 150.0)\n IF ( tad > ta(c,r,k) ) iflag = 1\n\n ! Pressure in Pascal = cb*1000\n\n wl = 0.7 * EXP( ( pres(c,r,k) - plcl ) / 8000.0 ) + 0.2\n qwsa = qsat( e_aerk(tad - svpt0), pres(c,r,k) )\n\n qwat = wl * ( qlcl - qwsa )\n qwat = MAX(qwat, 0.0)\n\n twc = qwat * pres(c,r,k) * 1.0e3 / r_d / ta(c,r,k)\n\n wtbar = wtbar + twc * dzf(c,r,k)\n\n frac = frac + ccov(k) * dzf(c,r,k)\n sumz = sumz + dzf(c,r,k)\n tbase = tad\n pbase = pres(c,r,k)\n \n ENDDO\n\n cfrac(c,r) = frac / sumz\n wbar (c,r) = wtbar / sumz\n\n IF ( cfrac(c,r) < 0.001 ) THEN\n cldt(c,r) = 0.0\n cldb(c,r) = 0.0\n ENDIF\n\n IF ( wbar(c,r) == 0.0 ) THEN\n cldt (c,r) = 0.0\n cldb (c,r) = 0.0\n cfrac(c,r) = 0.0\n CYCLE\n ENDIF\n\n ! If stable environment, use alternate water content expression.\n\n IF ( iflag == 0 ) THEN\n wtbar = 0.0\n DO k = kbase, ktop\n twc = 50.0 * qv(c,r,k) * pres(c,r,k) / r_d / ta(c,r,k)\n wtbar = wtbar + twc * dzf(c,r,k)\n ENDDO\n wbar(c,r) = wtbar / sumz\n ENDIF\n\n ENDDO\n ENDDO\n\nEND SUBROUTINE bcldprc_ak\n" }, { "path": "CCTM/src/twoway/twoway_cgrid_aerosol_spc_map_module.F90", "content": "!===============================================================================\n! Purpose: Define the mapping between CMAQ species and aerosol information, water\n! soluable, water insoluable, elementary carbon, sea salt, and water,\n! that will affect the radiation calculation\n!\n! Revised: 11 Aug 2011 Original version. David Wong\n! 21 Oct 2015 Updated water insoluble species list\n! 22 Nov 2016 Constructed water soluble and insoluble list dynamically\n! based on a given chemical mechanism and AE scheme\n! 01 Aug 2019 -- renamed ASEACATK to ASEACAT\n! -- added a H2O species, AORGH2OJ\n!===============================================================================\n\n module twoway_cgrid_aerosol_spc_map_module\n\n use aero_data\n\n ! water soluble\n integer :: num_ws_spc(3)\n\n integer, allocatable :: ws_spc_index(:,:)\n\n ! water insoluble\n integer :: num_wi_spc(3)\n\n integer, allocatable :: wi_spc_index(:,:)\n\n ! elmental carbon\n integer, parameter :: num_ec_spc = 2\n\n integer :: ec_spc_index(num_ec_spc)\n\n character (len = 16), parameter :: ec_spc(num_ec_spc) = &\n (/ 'AECI ', 'AECJ ' &\n /)\n\n! ANAK = ANAK \n\n! NUMATKN = VAT0\n! NUMACC = VAC0\n! NUMCOR = VCO0\n\n ! sea salt\n integer, parameter :: num_ss_spc = 5\n\n integer :: ss_spc_index(num_ss_spc)\n\n character (len = 16), parameter :: ss_spc(num_ss_spc) = &\n (/ 'ANAJ ', 'ACLJ ', &\n 'ACLK ', 'ASO4K ', &\n 'ASEACAT ' &\n /)\n\n ! water\n integer, parameter :: num_h2o_spc = 4\n\n integer :: h2o_spc_index(num_h2o_spc)\n\n character (len = 16), parameter :: h2o_spc(num_h2o_spc) = &\n (/ 'AH2OI ', 'AH2OJ ', &\n 'AH2OK ', 'AORGH2OJ ' &\n /)\n\n INTEGER, PARAMETER :: num_twoway_ae_cmaq_spc = 44\n\n INTEGER, PARAMETER :: num_twoway_ae_cmaq_spc_other = 12\n\n INTEGER, PARAMETER :: n_feedback_var = 22 + num_twoway_ae_cmaq_spc + 3\n\n! for feedback\n\n CHARACTER (LEN = 16), PARAMETER :: feedback_vlist(n_feedback_var) = &\n (/ 'WS_1 ', 'WS_2 ', 'WS_3 ', &\n 'IS_1 ', 'IS_2 ', 'IS_3 ', &\n 'EC_1 ', 'EC_2 ', 'EC_3 ', &\n 'SEASALT_1 ', 'SEASALT_2 ', 'SEASALT_3 ', &\n 'WATER_1 ', 'WATER_2 ', 'WATER_3 ', &\n 'DIAMETERS_1 ', 'DIAMETERS_2 ', 'DIAMETERS_3 ', &\n 'SD_1 ', 'SD_2 ', 'SD_3 ', &\n 'O3 ', &\n 'ASO4I ', 'ASO4J ', 'ASO4K ', 'ANO3I ', 'ANO3J ', &\n 'ANO3K ', 'ANH4I ', 'ANH4J ', 'ANH4K ', 'AALK1J ', &\n 'AALK2J ', &\n 'AXYL1J ', 'AXYL2J ', 'AXYL3J ', 'ATOL1J ', 'ATOL2J ', &\n 'ATOL3J ', 'ABNZ1J ', 'ABNZ2J ', 'ABNZ3J ', 'ATRP1J ', &\n 'ATRP2J ', 'AISO1J ', 'AISO2J ', 'ASQTJ ', 'AISO3J ', &\n 'AOLGAJ ', 'AOLGBJ ', 'AORGCJ ', 'AORGPAI ', 'AORGPAJ ', &\n 'AECI ', 'AECJ ', 'AOTHRI ', 'AOTHRJ ', 'ANAI ', &\n 'ANAJ ', 'ANAK ', 'ACLI ', 'ACLJ ', 'ACLK ', &\n 'ACORSK ', 'ASOILJ ', 'ASOIL ', &\n 'PMASSAT ', 'PMASSAC ', 'PMASSCO ' &\n /)\n\n! this is for aerosol indirect effect to map cgrid species to wrf \n\n character (len = 16), parameter :: twoway_ae_cmaq_spc_name (num_twoway_ae_cmaq_spc) = &\n (/ 'ASO4I ', 'ASO4J ', 'ASO4K ', 'ANO3I ', 'ANO3J ', &\n 'ANO3K ', 'ANH4I ', 'ANH4J ', 'ANH4K ', 'AALK1J ', &\n 'AALK2J ', &\n 'AXYL1J ', 'AXYL2J ', 'AXYL3J ', 'ATOL1J ', 'ATOL2J ', &\n 'ATOL3J ', 'ABNZ1J ', 'ABNZ2J ', 'ABNZ3J ', 'ATRP1J ', &\n 'ATRP2J ', 'AISO1J ', 'AISO2J ', 'ASQTJ ', 'AISO3J ', &\n 'AOLGAJ ', 'AOLGBJ ', 'AORGCJ ', 'AORGPAI ', 'AORGPAJ ', &\n 'AECI ', 'AECJ ', 'AOTHRI ', 'AOTHRJ ', 'ANAI ', &\n 'ANAJ ', 'ANAK ', 'ACLI ', 'ACLJ ', 'ACLK ', &\n 'ACORSK ', 'ASOILJ ', 'ASOILK ' &\n /)\n\n integer :: twoway_ae_cmaq_spc_name_index (num_twoway_ae_cmaq_spc)\n\n! this is for aerosol indirect effect to map cgrid species to wrf \n\n character (len = 16), parameter :: twoway_ae_cmaq_spc_name_other (num_twoway_ae_cmaq_spc_other) = &\n (/ 'APOCI ', 'APNCOMI ', 'APOCJ ', 'APNCOMJ ', 'ASEACAT ', &\n 'ASOILK ', 'ACORSK ', 'AALJ ', 'ASIJ ', 'ACAJ ', &\n 'AFEJ ', 'ATIJ ' &\n /)\n\n integer :: twoway_ae_cmaq_spc_name_other_index (num_twoway_ae_cmaq_spc_other)\n\n contains\n\n integer function find_index (vname) result (index)\n\n implicit none\n\n character (len = 16), intent(in) :: vname\n\n logical :: found\n integer :: s, m\n\n found = .false.\n s = 0\n do while ((s < n_aerospc) .and. (.not. found))\n s = s + 1\n m = 0\n do while ((m < n_mode) .and. (.not. found))\n m = m + 1\n if (aerospc(s)%name(m) == vname) then\n found = .true.\n index = aerospc_map(s, m)\n end if\n end do\n end do\n\n if (.not. found) then\n print *, ' Error: variable ', trim(vname), ' not found '\n stop\n end if\n\n end function find_index\n\n end module twoway_cgrid_aerosol_spc_map_module\n" }, { "path": "CCTM/src/twoway/twoway_data_module.F90", "content": "!===============================================================================\n! Purpose: Define general data structure for the twoway model\n!\n! Revised: April 2007 Original version. David Wong\n! Revised: April 7, 2016 David Wong: Added variable mminlu\n! Revised: Jan. 11, 2018 David Wong: Added variable convective_scheme\n! 31 Jan 2019 (David Wong)\n! -- adopted the idea to process all twoway related environment\n! variables in one place\n! 01 Aug 2019 (David Wong)\n! -- renamed convective_scheme to wrf_convective_scheme\n! 26 Jul 2022 (David Wong)\n! -- Added a prefix tw_ for these variables: sc, ec, sr, er sc_d, ec_d,\n! sr_d, and er_d to avoid naming conflicts\n!===============================================================================\n\n module twoway_data_module\n\n LOGICAL :: indirect_effect\n\n CHARACTER (LEN = 40) :: mminlu\n\n INTEGER :: num_land_cat\n INTEGER :: twoway_mype, twoway_nprocs\n\n INTEGER :: wrf_c_ncols, wrf_c_nrows, cmaq_c_ncols, cmaq_c_nrows\n INTEGER :: wrf_d_ncols, wrf_d_nrows, cmaq_d_ncols, cmaq_d_nrows\n\n INTEGER, ALLOCATABLE :: wrf_c_domain_map (:, :, :)\n INTEGER, ALLOCATABLE :: wrf_d_domain_map (:, :, :)\n INTEGER, ALLOCATABLE :: cmaq_c_domain_map (:, :, :)\n INTEGER, ALLOCATABLE :: cmaq_d_domain_map (:, :, :)\n INTEGER, ALLOCATABLE :: cmaq_ce_domain_map (:, :, :)\n INTEGER, ALLOCATABLE :: cmaq_de_domain_map (:, :, :)\n\n integer :: cmaq_c_col_dim\n integer :: cmaq_c_row_dim\n integer :: wrf_c_col_dim\n integer :: wrf_c_row_dim\n integer :: delta_x, delta_y\n! integer :: wrf_cmaq_freq\n integer :: cmaq_sdate, cmaq_stime, file_time_step\n\n! cmaq_c stands for cmaq cross grid\n! cmaq_d stands for cmaq dot grid\n! cmaq_ce stands for cmaq cross grid extension, +1 in four directions\n! cmaq_de stands for cmaq dot grid extension, +1 in four directions\n\n integer, pointer :: wrf_cmaq_c_send_to (:,:), wrf_cmaq_c_recv_from (:,:)\n integer, pointer :: wrf_cmaq_c_send_index_g (:,:,:), wrf_cmaq_c_recv_index_g (:,:,:)\n integer, pointer :: wrf_cmaq_c_send_index_l (:,:,:), wrf_cmaq_c_recv_index_l (:,:,:)\n integer, pointer :: wrf_cmaq_d_send_to (:,:), wrf_cmaq_d_recv_from (:,:)\n integer, pointer :: wrf_cmaq_d_send_index_g (:,:,:), wrf_cmaq_d_recv_index_g (:,:,:)\n integer, pointer :: wrf_cmaq_d_send_index_l (:,:,:), wrf_cmaq_d_recv_index_l (:,:,:)\n integer, pointer :: wrf_cmaq_ce_send_to (:,:), wrf_cmaq_ce_recv_from (:,:)\n integer, pointer :: wrf_cmaq_ce_send_index_g (:,:,:), wrf_cmaq_ce_recv_index_g (:,:,:)\n integer, pointer :: wrf_cmaq_ce_send_index_l (:,:,:), wrf_cmaq_ce_recv_index_l (:,:,:)\n integer, pointer :: wrf_cmaq_de_send_to (:,:), wrf_cmaq_de_recv_from (:,:)\n integer, pointer :: wrf_cmaq_de_send_index_g (:,:,:), wrf_cmaq_de_recv_index_g (:,:,:)\n integer, pointer :: wrf_cmaq_de_send_index_l (:,:,:), wrf_cmaq_de_recv_index_l (:,:,:)\n\n integer, pointer :: cmaq_wrf_c_send_to (:,:), cmaq_wrf_c_recv_from (:,:)\n integer, pointer :: cmaq_wrf_c_send_index_g (:,:,:), cmaq_wrf_c_recv_index_g (:,:,:)\n integer, pointer :: cmaq_wrf_c_send_index_l (:,:,:), cmaq_wrf_c_recv_index_l (:,:,:)\n\n INTEGER :: tw_sc, tw_ec, tw_sr, tw_er\n INTEGER :: tw_sc_d, tw_ec_d, tw_sr_d, tw_er_d\n\n real :: WRF_LC_REF_LAT\n\n logical :: wrf_convective_scheme, &\n cmaq_wrf_feedback, & ! flag to indicate CMAQ provides aerosol information back to WRF\n sd_time_series, &\n! create_physical_file, &\n! run_cmaq_driver, &\n! wrf_restart, &\n turn_on_pv\n\n logical :: wrf_lightning_assim = .false.\n\n character (len = 16) :: grid_name_str\n character (len = 500) :: griddesc_fname\n\n end module twoway_data_module\n" }, { "path": "CCTM/src/twoway/twoway_feedback.F90", "content": "SUBROUTINE feedback_setup ( jdate, jtime, tstep )\n\n!===============================================================================\n! Purpose: Setup feedback buffer file\n!\n! Revised: April 2007 Original version. David Wong\n! Oct. 2015 -- put in error checking and updated water insoluble\n! calculation\n! -- commented out indirect code\n! -- used loop structure rather than explicit list\n! Jan. 2016 -- resized the first dimension of cmaq_wrf_c_send_to,\n! cmaq_wrf_c_recv_from, cmaq_wrf_c_send_index_g,\n! cmaq_wrf_c_send_index_l, cmaq_wrf_c_recv_index_g,\n! and cmaq_wrf_c_recv_index_l\n! 22 Nov 2016 Constructed water soluble and insoluble list dynamically\n! based on a given chemical mechanism and AE scheme\n! 17 Jan 2017 Replace 3 with n_mode for robustness\n! 31 Jan 2019 (David Wong)\n! -- adopted the idea to process all twoway related environment\n! variables in one place\n! 01 Aug 2019 (David Wong)\n! -- updated abort message\n! 26 Jul 2022 (David Wong)\n! -- Added a prefix tw_ for these variables: sc, ec, sr, er sc_d, ec_d, \n! sr_d, and er_d to avoid naming conflicts\n!===============================================================================\n\n USE twoway_header_data_module\n USE twoway_met_param_module\n USE twoway_data_module\n USE twoway_util_module\n USE twoway_cgrid_aerosol_spc_map_module\n USE aero_data\n\n use cgrid_spcs\n\n use utilio_defn\n\n IMPLICIT NONE\n\n INTEGER, INTENT(IN) :: jdate, jtime, tstep\n\n CHARACTER (LEN = 16), PARAMETER :: pname = 'feedback_setup '\n\n CHARACTER (LEN = 16) :: feedback_fname\n\n integer :: i, j, k, n, stat, slen\n logical :: found\n\n character (len = 4), save :: pe_str\n\n allocate (cmaq_wrf_c_send_to(0:9, 0:twoway_nprocs-1), &\n cmaq_wrf_c_recv_from(0:9, 0:twoway_nprocs-1), &\n cmaq_wrf_c_send_index_g(9*3, 2, 0:twoway_nprocs-1), & ! starting and ending dimension, dimenionality\n cmaq_wrf_c_send_index_l(9*3, 2, 0:twoway_nprocs-1), & ! starting and ending dimension, dimenionality\n cmaq_wrf_c_recv_index_g(9*3, 2, 0:twoway_nprocs-1), & ! starting and ending dimension, dimenionality\n cmaq_wrf_c_recv_index_l(9*3, 2, 0:twoway_nprocs-1), & ! starting and ending dimension, dimenionality\n stat=stat) \n if (stat .ne. 0) then\n print *, ' Error: Allocating communication indices arrays'\n stop\n end if\n\n cmaq_wrf_c_send_to = wrf_cmaq_c_recv_from\n cmaq_wrf_c_recv_from = wrf_cmaq_c_send_to\n cmaq_wrf_c_send_index_l = wrf_cmaq_c_recv_index_l\n cmaq_wrf_c_recv_index_l = wrf_cmaq_c_send_index_l\n\n write (pe_str, 11) '_', twoway_mype\n 11 format (a1, i3.3)\n\n feedback_fname = 'feed_back' // pe_str\n\n call aq_set_ioapi_header ('C', ioapi_header%ncols, ioapi_header%nrows)\n\n xorig3d = ioapi_header%xorig - ioapi_header%xcell\n yorig3d = ioapi_header%yorig - ioapi_header%ycell\n nlays3d = ioapi_header%nlays\n nvars3d = n_feedback_var\n vname3d(1:nvars3d) = feedback_vlist\n units3d(1:nvars3d) = ''\n tstep3d = tstep\n vtype3d(1:nvars3d) = ioapi_header%vtype\n\n sdate3d = jdate\n stime3d = jtime\n\n if ( .not. open3 (feedback_fname, FSRDWR3, pname) ) then\n print *, ' Error: Could not open file ', trim(feedback_fname), 'for update'\n if ( .not. open3 (feedback_fname, FSNEW3, pname) ) then\n print *, ' Error: Could not open file ', trim(feedback_fname)\n end if\n end if\n\n! The water soluble and insoluble lists are actually used to differentiate between two\n! refractive index values. They do not necessarily align completely with water soluble\n! and insoluble species. The detemrination for what goes into each list is from the \n! AERO_DATA table, column \"OptSurr\". Species with \"solute\" in this column will be in the\n! ws_spc_index list and species with \"dust\" will be in the wi_spc_index list.\n allocate (ws_spc_index(n_ae_spc, n_mode), &\n wi_spc_index(n_ae_spc, n_mode), &\n stat=stat)\n\n! to create water soluble and insoluble list\n num_ws_spc = 0\n num_wi_spc = 0\n ws_spc_index = 0\n wi_spc_index = 0\n do i = 1, n_ae_spc\n slen = len(trim(ae_spc(i)))\n if ((ae_spc(i) .ne. 'AECI') .and. & ! skip species that will be\n (ae_spc(i) .ne. 'AECJ') .and. & ! considered later in EC,\n (ae_spc(i) .ne. 'ANAJ') .and. & ! sea salt and H2O catergories\n (ae_spc(i) .ne. 'ACLJ') .and. &\n (ae_spc(i) .ne. 'ACLK') .and. &\n (ae_spc(i) .ne. 'ASO4K') .and. &\n (ae_spc(i) .ne. 'ASEACATK') .and. &\n (ae_spc(i) .ne. 'AH2OI') .and. &\n (ae_spc(i) .ne. 'AH2OJ') .and. &\n (ae_spc(i) .ne. 'AH2OK') .and. &\n (ae_spc(i)(slen:slen) .ne. 'K')) then ! not consider K mode ANH4K and ANO3K\n found = .false.\n k = 0\n do while ((.not. found) .and. (k .lt. n_aerospc))\n k = k + 1\n n = 0\n do while ((.not. found) .and. (n .lt. n_mode))\n n = n + 1\n if (aerospc(k)%name(n) .eq. ae_spc(i)) then\n found = .true.\n end if\n end do\n end do\n if (found) then\n if (aerospc(k)%optic_surr .eq. 'SOLUTE') then\n num_ws_spc(n) = num_ws_spc(n) + 1\n ws_spc_index(num_ws_spc(n), n) = i\n else if (aerospc(k)%optic_surr .eq. 'DUST') then\n num_wi_spc(n) = num_wi_spc(n) + 1\n wi_spc_index(num_wi_spc(n), n) = i\n end if \n end if\n end if\n end do\n\nEND SUBROUTINE feedback_setup\n\n! ------------------------------------------------------------------------------------\nSUBROUTINE feedback_write ( c, r, l, cgrid, o3_value, jdate, jtime )\n\n!===============================================================================\n! Purpose: Processes CMAQ data and write it to the feedback buffer file\n!\n! Revised: April 2007 Original version. David Wong\n! 22 Nov 2016 Constructed water soluble and insoluble list dynamically\n! based on a given chemical mechanism and AE scheme\n! 12 Mar 2019 Implemented centralized I/O approach\n!===============================================================================\n\n! SUBROUTINE feedback_write ( c, r, l, cgrid, o3_value, aeromode_lnsg, &\n! aeromode_diam, jdate, jtime )\n\n USE HGRD_DEFN\n USE aero_data\n USE UTILIO_DEFN\n USE twoway_header_data_module\n USE twoway_met_param_module\n USE twoway_data_module\n USE twoway_util_module\n USE twoway_cgrid_aerosol_spc_map_module\n Use CENTRALIZED_IO_MODULE, only : interpolate_var\n\n use utilio_defn\n use cgrid_spcs\n use aero_data\n\n IMPLICIT NONE\n\n real, intent(in) :: cgrid(:), o3_value\n INTEGER, INTENT(IN) :: r, c, l, jdate, jtime\n\n REAL, PARAMETER :: DGMIN = 1.0E-09\n REAL(8), PARAMETER :: ONE3D = 1.0 / 3.0 \n REAL(8), PARAMETER :: TWO3D = 2.0 * ONE3D\n REAL(8), PARAMETER :: MINL2SG = 2.380480480d-03 ! minimum value of ln(Sg)**2\n ! minimum sigma_g = 1.05\n REAL(8), PARAMETER :: MAXL2SG = 8.39588705d-1 ! maximum value of ln(Sg)**2\n ! maximum sigma_g = 2.5\n\n REAL :: L2SGAT, L2SGAC\n\n logical, save :: firstime = .true.\n\n CHARACTER (LEN = 16), PARAMETER :: pname = 'feedback_write '\n CHARACTER (LEN = 16), save :: feedback_fname\n CHARACTER (LEN = 16) :: vname\n CHARACTER (LEN = 16), PARAMETER :: MET_CRO_3D = 'MET_CRO_3D '\n\n integer :: i, j, s, e, stat, rr, cc, k\n integer, save :: nlays, inumatkn, inumacc, inumcor\n\n real, allocatable, save :: feedback_data_cmaq (:,:,:,:)\n\n character (len = 4), save :: pe_str\n\n real, allocatable, save :: dens( :,:,: ) ! dry air density\n\n INTEGER GXOFF, GYOFF ! global origin offset from file\n integer, save :: STRTCOLMC3, ENDCOLMC3, STRTROWMC3, ENDROWMC3\n\n CHARACTER( 96 ) :: XMSG = ' '\n\n IF ( firstime ) THEN\n\n write (pe_str, 11) '_', twoway_mype\n 11 format (a1, i3.3)\n\n feedback_fname = 'feed_back' // pe_str\n\n nlays = ioapi_header%nlays\n\n! feedback_vlist defines the feedback variable list (twoway_cgrid_aerosol_spc_map_module.F90)\n! the first 22 variables are for direct aerosol effect.\n allocate ( feedback_data_cmaq (cmaq_c_ncols, cmaq_c_nrows, nlays, n_feedback_var), stat=stat)\n\n allocate (dens( NCOLS, NROWS, nlays ), stat=stat)\n\n! begin: this is for indirect effect only, temporary blocked\n if (indirect_effect) then\n inumatkn = index1('NUMATKN', n_ae_spc, ae_spc) + n_gc_spcd\n inumacc = index1('NUMACC', n_ae_spc, ae_spc) + n_gc_spcd\n inumcor = index1('NUMCOR', n_ae_spc, ae_spc) + n_gc_spcd\n\n do i = 1, num_twoway_ae_cmaq_spc\n twoway_ae_cmaq_spc_name_index(i) = index1 (twoway_ae_cmaq_spc_name(i), n_ae_spc, ae_spc) + n_gc_spcd\n if (twoway_ae_cmaq_spc_name_index(i) == n_gc_spcd) then ! species not found\n print *, ' Warning: AE species ', trim(twoway_ae_cmaq_spc_name(i)), ' is not on the list'\n end if\n end do\n\n do i = 1, num_twoway_ae_cmaq_spc_other\n twoway_ae_cmaq_spc_name_other_index(i) = index1 (twoway_ae_cmaq_spc_name_other(i), n_ae_spc, ae_spc) + n_gc_spcd\n if (twoway_ae_cmaq_spc_name_other_index(i) == n_gc_spcd) then ! species not found\n print *, ' Warning: AE species ', trim(twoway_ae_cmaq_spc_name_other(i)), ' is not on the list'\n end if\n end do\n end if\n! end: this is for indirect effect only, temporary blocked\n\n do j = 1, n_mode\n do i = 1, num_ws_spc(j)\n if (ws_spc_index(i,j) .gt. 0) then\n ws_spc_index(i,j) = ws_spc_index(i,j) + n_gc_spcd\n end if\n end do\n end do\n\n do j = 1, n_mode\n do i = 1, num_wi_spc(j)\n if (wi_spc_index(i,j) .gt. 0) then\n wi_spc_index(i,j) = wi_spc_index(i,j) + n_gc_spcd\n end if\n end do\n end do\n\n do i = 1, num_ec_spc\n ec_spc_index(i) = index1 (ec_spc(i), n_ae_spc, ae_spc)\n if (ec_spc_index(i) == 0) then\n write (logdev, *) ' ABORT: in aero_driver ec species ', &\n trim(ec_spc(i)), ' is not found '\n stop\n else\n ec_spc_index(i) = ec_spc_index(i) + n_gc_spcd\n end if\n end do\n\n do i = 1, num_ss_spc\n ss_spc_index(i) = index1 (ss_spc(i), n_ae_spc, ae_spc)\n if (ss_spc_index(i) == 0) then\n write (logdev, *) ' ABORT: aero_driver ss species ', &\n trim(ss_spc(i)), ' is not found '\n stop\n else\n ss_spc_index(i) = ss_spc_index(i) + n_gc_spcd\n end if\n end do\n\n do i = 1, num_h2o_spc\n h2o_spc_index(i) = index1 (h2o_spc(i), n_ae_spc, ae_spc)\n if (h2o_spc_index(i) == 0) then\n write (logdev, *) ' ABORT: in aero_driver h2o species ', &\n trim(h2o_spc(i)), ' is not found '\n stop\n else\n h2o_spc_index(i) = h2o_spc_index(i) + n_gc_spcd\n end if\n end do\n\n CALL SUBHFILE ( MET_CRO_3D, GXOFF, GYOFF, STRTCOLMC3, ENDCOLMC3, STRTROWMC3, ENDROWMC3 )\n\n firstime = .false.\n\n ENDIF ! first time\n\n! water soluble\n! i mode\n feedback_data_cmaq(c,r,l, 1) = 0.0\n do i = 1, num_ws_spc(1)\n feedback_data_cmaq(c,r,l, 1) = feedback_data_cmaq(c,r,l, 1) + cgrid(ws_spc_index(i,1))\n end do\n\n! j mode\n feedback_data_cmaq(c,r,l, 2) = 0.0\n do i = 1, num_ws_spc(2)\n feedback_data_cmaq(c,r,l, 2) = feedback_data_cmaq(c,r,l, 2) + cgrid(ws_spc_index(i,2))\n end do\n\n! k mode\n feedback_data_cmaq(c,r,l, n_mode) = 0.0\n\n! insoluble\n! i mode\n feedback_data_cmaq(c,r,l, 4) = 0.0\n do i = 1, num_wi_spc(1)\n feedback_data_cmaq(c,r,l, 4) = feedback_data_cmaq(c,r,l, 4) + cgrid(wi_spc_index(i,1))\n end do\n\n! j mode\n feedback_data_cmaq(c,r,l, 5) = 0.0\n do i = 1, num_wi_spc(2)\n feedback_data_cmaq(c,r,l, 5) = feedback_data_cmaq(c,r,l, 5) + cgrid(wi_spc_index(i,2))\n end do\n\n! k mode\n feedback_data_cmaq(c,r,l, 6) = 0.0\n do i = 1, num_wi_spc(3)\n feedback_data_cmaq(c,r,l, 6) = feedback_data_cmaq(c,r,l, 6) + cgrid(wi_spc_index(i,3))\n end do\n\n! elemental carbon\n feedback_data_cmaq(c,r,l, 7) = cgrid(ec_spc_index(1))\n feedback_data_cmaq(c,r,l, 8) = cgrid(ec_spc_index(2))\n feedback_data_cmaq(c,r,l, 9) = 0.0\n\n! seasalt\n feedback_data_cmaq(c,r,l,10) = 0.0\n feedback_data_cmaq(c,r,l,11) = cgrid(ss_spc_index(1)) &\n + cgrid(ss_spc_index(2))\n feedback_data_cmaq(c,r,l,12) = cgrid(ss_spc_index(3)) &\n + cgrid(ss_spc_index(4)) &\n + cgrid(ss_spc_index(5))\n\n! water\n feedback_data_cmaq(c,r,l,13) = cgrid(h2o_spc_index(1))\n feedback_data_cmaq(c,r,l,14) = cgrid(h2o_spc_index(2))\n feedback_data_cmaq(c,r,l,15) = cgrid(h2o_spc_index(3))\n\n! diameters\n feedback_data_cmaq(c,r,l,16) = aeromode_diam(1)\n feedback_data_cmaq(c,r,l,17) = aeromode_diam(2)\n feedback_data_cmaq(c,r,l,18) = aeromode_diam(3) ! min(cblk(VDGCO), 6.8e-6) ! temporarily fix\n\n! standard deviations\n feedback_data_cmaq(c,r,l,19) = EXP(aeromode_lnsg(1))\n feedback_data_cmaq(c,r,l,20) = EXP(aeromode_lnsg(2))\n feedback_data_cmaq(c,r,l,21) = 2.2\n\n! O3\n feedback_data_cmaq(c,r,l,22) = o3_value\n\n! AE mass ( this is for future indirect effect)\n\n! begin: this is for indirect effect only, temporary blocked\n! if (indirect_effect) then\n! s = 23\n! e = n_feedback_var-3\n! j = 0\n! do i = s, e\n! j = j + 1\n! if (j == 29) then\n! feedback_data_cmaq(c,r,l,i) = cgrid(twoway_ae_cmaq_spc_name_other_index(1)) + &\n! cgrid(twoway_ae_cmaq_spc_name_other_index(2))\n! else if (j == 30) then\n! feedback_data_cmaq(c,r,l,i) = cgrid(twoway_ae_cmaq_spc_name_other_index(3)) + &\n! cgrid(twoway_ae_cmaq_spc_name_other_index(4))\n! else if (j == 37) then\n! feedback_data_cmaq(c,r,l,i) = 0.8373 * cgrid(twoway_ae_cmaq_spc_name_other_index(5)) + &\n! 0.0626 * cgrid(twoway_ae_cmaq_spc_name_other_index(6)) + &\n! 0.0023 * cgrid(twoway_ae_cmaq_spc_name_other_index(7))\n! else if (j == 42) then\n! feedback_data_cmaq(c,r,l,i) = 2.20 * cgrid(twoway_ae_cmaq_spc_name_other_index(8)) + &\n! 2.49 * cgrid(twoway_ae_cmaq_spc_name_other_index(9)) + &\n! 1.63 * cgrid(twoway_ae_cmaq_spc_name_other_index(10)) + &\n! 2.42 * cgrid(twoway_ae_cmaq_spc_name_other_index(11)) + &\n! 1.94 * cgrid(twoway_ae_cmaq_spc_name_other_index(12))\n! else\n! feedback_data_cmaq(c,r,l,i) = cgrid(twoway_ae_cmaq_spc_name_index(j))\n! end if\n! end do\n! feedback_data_cmaq(c,r,l,n_feedback_var-2) = cgrid(inumatkn)\n! feedback_data_cmaq(c,r,l,n_feedback_var-1) = cgrid(inumacc)\n! feedback_data_cmaq(c,r,l,n_feedback_var) = cgrid(inumcor)\n! end if\n! end: this is for indirect effect only, temporary blocked\n\n if ((c .eq. cmaq_c_ncols) .and. (r .eq. cmaq_c_nrows) .and. (l .eq. nlays)) then\n \n call interpolate_var ('DENS', jdate, jtime, dens)\n \n if ( .not. open3 (feedback_fname, FSRDWR3, pname) ) then\n print *, ' Error: Could not open file ', feedback_fname, 'for update'\n end if\n\n! begin: this is for indirect effect only, temporary blocked\n! if (indirect_effect) then\n! do k = 1, size(feedback_data_cmaq,3)\n! do rr = 1, size(feedback_data_cmaq,2)\n! do cc = 1, size(feedback_data_cmaq,1)\n! do s = 23, n_feedback_var\n! feedback_data_cmaq(cc,rr,k,s) = feedback_data_cmaq(cc,rr,k,s) / dens(cc,rr,k)\n! end do\n! end do\n! end do\n! end do\n! end if\n! end: this is for indirect effect only, temporary blocked\n\n if ( .not. buf_write3 (feedback_fname, allvar3, jdate, jtime, feedback_data_cmaq) ) then\n print *, ' Error: Could not write to file ', trim(feedback_fname), jdate, jtime\n stop\n end if\n\n end if\n\nEND SUBROUTINE feedback_write\n\n! ------------------------------------------------------------------------------------\nSUBROUTINE feedback_read (grid, jdate, jtime)\n\n!===============================================================================\n! Purpose: Read in information from feedback buffer file and make it available\n! to WRF\n!\n! Revised: April 2007 Original version. David Wong\n! 25 Sep 2015 (David Wong)\n! -- replace SUBST_MODULES with SE_MODULES\n! -- removed ae_mass access\n! 08 Sep 2022 (David Wong)\n! -- fixed a bug that caused by changed value of NLAYS3D in the\n! subsequent time step\n!===============================================================================\n\n USE module_domain ! WRF module\n USE module_state_description\n\n USE twoway_data_module\n USE twoway_met_param_module\n USE twoway_cgrid_aerosol_spc_map_module\n USE SE_MODULES\n USE HGRD_DEFN\n\n use utilio_defn\n\n IMPLICIT NONE\n\n TYPE(domain), INTENT(OUT) :: grid\n INTEGER, INTENT(IN) :: jdate, jtime\n\n CHARACTER (LEN = 16), PARAMETER :: pname = 'feedback_read '\n\n CHARACTER (LEN = 16), save :: feedback_fname\n\n LOGICAL, SAVE :: firstime = .TRUE.\n\n integer :: stat, l, c, r, s, d, e\n\n integer, save :: tstep = 0\n integer, save :: o3\n\n real, allocatable, save :: feedback_data_wrf (:,:,:,:)\n real, allocatable, save :: feedback_data_cmaq (:,:,:,:)\n\n logical, save :: north_bndy_pe = .false.\n logical, save :: east_bndy_pe = .false.\n logical, save :: south_bndy_pe = .false.\n logical, save :: west_bndy_pe = .false.\n\n character (len = 4), save :: pe_str\n\n integer, save :: loc_nlays\n\n tstep = tstep + 1\n\n if (firstime) then\n\n write (pe_str, 11) '_', twoway_mype\n 11 format (a1, i3.3)\n\n feedback_fname = 'feed_back' // pe_str\n\n if ( .not. open3 (feedback_fname, FSREAD3, pname) ) then\n print *, ' Error: Could not open file ', trim(feedback_fname), 'for reading'\n end if\n\n if ( .not. desc3 (feedback_fname) ) then\n print *, ' Error: Could not get file descript of file ', trim(feedback_fname)\n end if\n\n o3 = 41\n\n allocate ( feedback_data_wrf (wrf_c_ncols, wrf_c_nrows, nlays3d, nvars3d), stat=stat)\n allocate ( feedback_data_cmaq (cmaq_c_ncols, cmaq_c_nrows, nlays3d, nvars3d), stat=stat)\n\n if ((twoway_nprocs - mype) .le. npcol) then\n north_bndy_pe = .true.\n end if\n\n if (mod(mype, npcol) .eq. npcol - 1) then\n east_bndy_pe = .true.\n end if\n\n if (mype .lt. npcol) then\n south_bndy_pe = .true.\n end if\n\n if (mod(mype, npcol) .eq. 0) then\n west_bndy_pe = .true.\n end if\n\n loc_nlays = nlays3d\n\n firstime = .false.\n\n end if\n\n if ( .not. read3(feedback_fname, allvar3, allays3, jdate, jtime, feedback_data_cmaq) ) then\n print *, ' Error: Could not read data from file ', trim(feedback_fname)\n stop\n end if\n\n feedback_data_wrf = 0.0\n\n call se_cmaq_wrf_comm4 (twoway_mype, feedback_data_cmaq, &\n feedback_data_wrf, cmaq_wrf_c_send_to, cmaq_wrf_c_recv_from, &\n cmaq_wrf_c_send_index_l, cmaq_wrf_c_recv_index_l, 6)\n\n if (north_bndy_pe) then\n s = cmaq_c_domain_map(2,2,mype) - tw_sr + 1\n do r = cmaq_c_domain_map(2,2,mype)+1, wrf_c_domain_map(2,2,mype)\n feedback_data_wrf(:,r-tw_sr+1,:,:) = feedback_data_wrf(:,s,:,:)\n end do\n end if\n\n if (east_bndy_pe) then\n s = cmaq_c_domain_map(2,1,mype) - tw_sc + 1\n d = wrf_c_domain_map(2,1,mype) - cmaq_c_domain_map(2,1,mype)\n do r = lbound(feedback_data_wrf,2), ubound(feedback_data_wrf,2)\n do c = s+1, s+d\n feedback_data_wrf(c,r,:,:) = feedback_data_wrf(s,r,:,:)\n end do\n end do\n end if\n\n if (south_bndy_pe) then\n do r = 1, delta_y\n feedback_data_wrf(:,r,:,:) = feedback_data_wrf(:,delta_y+1,:,:)\n end do\n end if\n\n if (west_bndy_pe) then\n do r = lbound(feedback_data_wrf,2), ubound(feedback_data_wrf,2)\n do c = 1, delta_x\n feedback_data_wrf(c,r,:,:) = feedback_data_wrf(delta_x+1,r,:,:)\n end do\n end do\n end if\n\n do l = 1, loc_nlays\n do r = tw_sr, tw_er\n do c = tw_sc, tw_ec\n grid%mass_ws_i(c, l, r) = feedback_data_wrf(c-tw_sc+1,r-tw_sr+1,l,1)\n grid%mass_ws_j(c, l, r) = feedback_data_wrf(c-tw_sc+1,r-tw_sr+1,l,2)\n grid%mass_ws_k(c, l, r) = feedback_data_wrf(c-tw_sc+1,r-tw_sr+1,l,3)\n grid%mass_in_i(c, l, r) = feedback_data_wrf(c-tw_sc+1,r-tw_sr+1,l,4)\n grid%mass_in_j(c, l, r) = feedback_data_wrf(c-tw_sc+1,r-tw_sr+1,l,5)\n grid%mass_in_k(c, l, r) = feedback_data_wrf(c-tw_sc+1,r-tw_sr+1,l,6)\n grid%mass_ec_i(c, l, r) = feedback_data_wrf(c-tw_sc+1,r-tw_sr+1,l,7)\n grid%mass_ec_j(c, l, r) = feedback_data_wrf(c-tw_sc+1,r-tw_sr+1,l,8)\n grid%mass_ec_k(c, l, r) = feedback_data_wrf(c-tw_sc+1,r-tw_sr+1,l,9)\n grid%mass_ss_i(c, l, r) = feedback_data_wrf(c-tw_sc+1,r-tw_sr+1,l,10)\n grid%mass_ss_j(c, l, r) = feedback_data_wrf(c-tw_sc+1,r-tw_sr+1,l,11)\n grid%mass_ss_k(c, l, r) = feedback_data_wrf(c-tw_sc+1,r-tw_sr+1,l,12)\n grid%mass_h2o_i(c, l, r) = feedback_data_wrf(c-tw_sc+1,r-tw_sr+1,l,13)\n grid%mass_h2o_j(c, l, r) = feedback_data_wrf(c-tw_sc+1,r-tw_sr+1,l,14)\n grid%mass_h2o_k(c, l, r) = feedback_data_wrf(c-tw_sc+1,r-tw_sr+1,l,15)\n grid%dgn_i(c, l, r) = feedback_data_wrf(c-tw_sc+1,r-tw_sr+1,l,16)\n grid%dgn_j(c, l, r) = feedback_data_wrf(c-tw_sc+1,r-tw_sr+1,l,17)\n grid%dgn_k(c, l, r) = feedback_data_wrf(c-tw_sc+1,r-tw_sr+1,l,18)\n grid%sig_i(c, l, r) = feedback_data_wrf(c-tw_sc+1,r-tw_sr+1,l,19)\n grid%sig_j(c, l, r) = feedback_data_wrf(c-tw_sc+1,r-tw_sr+1,l,20)\n grid%sig_k(c, l, r) = feedback_data_wrf(c-tw_sc+1,r-tw_sr+1,l,21)\n grid%ozone(c, l, r) = feedback_data_wrf(c-tw_sc+1,r-tw_sr+1,l,22)\n! begin: this is for indirect effect only, temporary blocked\n! if (indirect_effect) then\n! s = 0\n! do d = 23, N_FEEDBACK_VAR-3\n! s = s + 1\n! grid%ae_mass(c, l, r, s) = feedback_data_wrf(c-tw_sc+1,r-tw_sr+1,l,d)\n! end do\n! grid%ae_num(c, l, r, 1:3) = feedback_data_wrf(c-tw_sc+1,r-tw_sr+1,l,N_FEEDBACK_VAR-2:N_FEEDBACK_VAR)\n! end if\n! end: this is for indirect effect only, temporary blocked\n end do\n end do\n end do\n\n grid%mass_ws_i(:,loc_nlays+1,:) = grid%mass_ws_i(:,loc_nlays,:)\n grid%mass_ws_j(:,loc_nlays+1,:) = grid%mass_ws_j(:,loc_nlays,:)\n grid%mass_ws_k(:,loc_nlays+1,:) = grid%mass_ws_k(:,loc_nlays,:)\n grid%mass_in_i(:,loc_nlays+1,:) = grid%mass_in_i(:,loc_nlays,:)\n grid%mass_in_j(:,loc_nlays+1,:) = grid%mass_in_j(:,loc_nlays,:)\n grid%mass_in_k(:,loc_nlays+1,:) = grid%mass_in_k(:,loc_nlays,:)\n grid%mass_ec_i(:,loc_nlays+1,:) = grid%mass_ec_i(:,loc_nlays,:)\n grid%mass_ec_j(:,loc_nlays+1,:) = grid%mass_ec_j(:,loc_nlays,:)\n grid%mass_ec_k(:,loc_nlays+1,:) = grid%mass_ec_k(:,loc_nlays,:)\n grid%mass_ss_i(:,loc_nlays+1,:) = grid%mass_ss_i(:,loc_nlays,:)\n grid%mass_ss_j(:,loc_nlays+1,:) = grid%mass_ss_j(:,loc_nlays,:)\n grid%mass_ss_k(:,loc_nlays+1,:) = grid%mass_ss_k(:,loc_nlays,:)\n grid%mass_h2o_i(:,loc_nlays+1,:) = grid%mass_h2o_i(:,loc_nlays,:)\n grid%mass_h2o_j(:,loc_nlays+1,:) = grid%mass_h2o_j(:,loc_nlays,:)\n grid%mass_h2o_k(:,loc_nlays+1,:) = grid%mass_h2o_k(:,loc_nlays,:)\n grid%dgn_i(:,loc_nlays+1,:) = grid%dgn_i(:,loc_nlays,:)\n grid%dgn_j(:,loc_nlays+1,:) = grid%dgn_j(:,loc_nlays,:)\n grid%dgn_k(:,loc_nlays+1,:) = grid%dgn_k(:,loc_nlays,:)\n grid%sig_i(:,loc_nlays+1,:) = grid%sig_i(:,loc_nlays,:)\n grid%sig_j(:,loc_nlays+1,:) = grid%sig_j(:,loc_nlays,:)\n grid%sig_k(:,loc_nlays+1,:) = grid%sig_k(:,loc_nlays,:)\n\n! begin: this is for indirect effect only, temporary blocked\n! if (indirect_effect) then\n! grid%ae_mass(:,loc_nlays+1,:,:) = grid%ae_mass(:,loc_nlays,:,:)\n! grid%ae_num(:,loc_nlays+1,:,:) = grid%ae_num(:,loc_nlays,:,:)\n! end if\n! end: this is for indirect effect only, temporary blocked\n\nEND SUBROUTINE feedback_read\n" }, { "path": "CCTM/src/twoway/twoway_header_data_module.F90", "content": "!===============================================================================\n! Name: HEADER_DATA_MODULE\n! Purpose: Define Met and Grid file constant header information\n! Revised: 10 Apr 2007 Original version. (David Wong)\n!===============================================================================\n\nmodule twoway_header_data_module\n\n integer, parameter :: max_nlays = 100\n\n type header_constant_data_record\n integer :: sdate\n integer :: stime\n integer :: nthik\n integer :: ncols\n integer :: nrows\n integer :: nlays\n integer :: gdtyp\n integer :: vtype\n real :: p_alp\n real :: p_bet\n real :: p_gam\n real :: xcent\n real :: ycent\n real :: xorig\n real :: yorig\n real :: xcell\n real :: ycell\n integer :: vgtyp\n real :: vgtop\n real :: vglvs (max_nlays + 1)\n character (len = 16) :: gdnam\n character (len = 16) :: grid_name\n end type header_constant_data_record\n\n TYPE(header_constant_data_record) :: ioapi_header\n\nend module twoway_header_data_module\n" }, { "path": "CCTM/src/twoway/twoway_init_env_vars.F90", "content": "!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n!:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n\n subroutine twoway_init_env_vars\n\n!===============================================================================\n! Name: twoway_init_env_vars Prep\n! Purpose: process all twoway related environment variables\n! Revised: 31 Jan 2019 Original version. (D. Wong)\n! 01 Aug 2019 (D. Wong)\n! -- removed usage of status in calling get_env\n!===============================================================================\n\n use twoway_data_module\n use sd_time_series_module, only : sd_scol, sd_ecol, sd_srow, sd_erow\n use get_env_module\n\n! call get_env (wrf_restart, \"WRF_RSTFLAG\", .false.)\n\n call get_env (sd_time_series, 'SD_TIME_SERIES', .false.)\n\n! call get_env (create_physical_file, 'CREATE_PHYSICAL_FILE', .false.)\n\n! call get_env (wrf_cmaq_freq, 'WRF_CMAQ_FREQ', 1)\n\n! call get_env (run_cmaq_driver, 'RUN_CMAQ_DRIVER', .false.)\n\n! call get_env (cmaq_wrf_feedback, 'CMAQ_WRF_FEEDBACK', .false.)\n\n! call get_env (indirect_effect, 'INDIRECT_EFFECT', .false.)\n\n call get_env (cmaq_sdate, 'CTM_STDATE', 0)\n\n call get_env (cmaq_stime, 'CTM_STTIME', 0)\n\n call get_env (turn_on_pv, 'CTM_PVO3', .false.)\n\n call get_env (wrf_lc_ref_lat, 'WRF_LC_REF_LAT', 0.0)\n\n call get_env (delta_x, 'TWOWAY_DELTA_X', 5)\n\n call get_env (delta_y, 'TWOWAY_DELTA_Y', 5)\n\n call get_env (file_time_step, 'FILE_TIME_STEP', 10000)\n\n if (sd_time_series) then\n call get_env (sd_scol, 'SD_SCOL', 1)\n call get_env (sd_ecol, 'SD_ECOL', 1)\n call get_env (sd_srow, 'SD_SROW', 1)\n call get_env (sd_erow, 'SD_EROW', 1)\n end if\n\n call get_env (griddesc_fname, 'GRIDDESC', ' ')\n call get_env (grid_name_str, 'GRID_NAME', ' ')\n\n end subroutine twoway_init_env_vars\n" }, { "path": "CCTM/src/twoway/twoway_met_param_module.F90", "content": "!===============================================================================\n! Purpose: Define general information in each of the buffer files\n!\n! Revised: April 2007 Original version. David Wong\n! July, 16 2013 David Wong -- corrected the unit for RA and RS\n! -- added DLUSE in GRIDCRO2D\n! Jan, 11 2016 David Wong -- added a new variable PV\n! Mar 04, 2019 Gilliam and Wong -- added new metcro2d variables \n! according to new PX implementation in WRFv4.1+\n! Aug 01, 2019 Wong -- added two new metdot3d variables, UWIND and\n! VWIND (wind component of the mass point)\n!===============================================================================\n\n module twoway_met_param_module\n\n INTEGER, PARAMETER :: max_nvars = 1000\n INTEGER, PARAMETER :: n_gridcro2d_var = 7\n INTEGER, PARAMETER :: n_griddot2d_var = 1\n INTEGER, PARAMETER :: n_metcro3d_var = 17\n INTEGER, PARAMETER :: n_metdot3d_var = 4\n INTEGER, PARAMETER :: n_metcro2d_var = 38\n\n CHARACTER (LEN = 16), PARAMETER :: gridcro2d_vlist(n_gridcro2d_var) = &\n (/ 'LAT ', 'LON ', &\n 'MSFX2 ', 'HT ', &\n 'LWMASK ', 'PURB ', &\n 'DLUSE ' /)\n\n CHARACTER (LEN = 16), PARAMETER :: gridcro2d_units(n_gridcro2d_var) = &\n (/ 'DEGREES ', 'DEGREES ', &\n '(M/M)**2 ', 'M ', &\n '- ', 'PERCENT ', &\n 'CATEGORY ' /)\n\n CHARACTER (LEN = 16), PARAMETER :: griddot2d_vlist(n_griddot2d_var) = &\n (/ 'MSFD2 ' /)\n\n CHARACTER (LEN = 16), PARAMETER :: griddot2d_units(n_griddot2d_var) = &\n (/ '(M/M)**2 ' /)\n\n CHARACTER (LEN = 16), PARAMETER :: metcro3d_vlist(n_metcro3d_var) = &\n (/ 'JACOBF ', 'JACOBM ', &\n 'DENSA_J ', 'TA ', &\n 'QV ', 'QC ', &\n 'QR ', 'QI ', &\n 'QS ', 'QG ', &\n 'PRES ', 'DENS ', &\n 'ZH ', 'ZF ', &\n 'UWIND ', 'VWIND ', &\n 'PV ' /)\n\n CHARACTER (LEN = 16), PARAMETER :: metcro3d_units(n_metcro3d_var) = &\n (/ 'M ', 'M ', &\n 'KG/M**2 ', 'K ', &\n 'KG/KG ', 'KG/KG ', &\n 'KG/KG ', 'KG/KG ', &\n 'KG/KG ', 'KG/KG ', &\n 'Pa ', 'KG/M**3 ', &\n 'M ', 'M ', &\n 'M/S ', 'M/S ', &\n 'M^2*K/KG/S * E-6' /)\n\n CHARACTER (LEN = 16), PARAMETER :: metdot3d_vlist(n_metdot3d_var) = &\n (/ 'UWINDC ', 'VWINDC ', &\n 'UHAT_JD ', 'VHAT_JD ' /)\n \n CHARACTER (LEN = 16), PARAMETER :: metdot3d_units(n_metdot3d_var) = &\n (/ 'M/S ', 'M/S ', &\n 'KG/(M*S) ', 'KG/(M*S) ' /)\n\n CHARACTER (LEN = 16), PARAMETER :: metcro2d_vlist(n_metcro2d_var) = &\n (/ 'PRSFC ', 'USTAR ', &\n 'WSTAR ', 'PBL ', &\n 'ZRUF ', 'MOLI ', &\n 'HFX ', 'RA ', &\n 'RS ', 'WSPD10 ', &\n 'GSW ', 'RGRND ', &\n 'RNA ', 'RCA ', &\n 'CFRAC ', 'CLDT ', &\n 'CLDB ', 'WBAR ', &\n 'SNOCOV ', 'VEG ', &\n 'TEMP2 ', 'WR ', &\n 'TEMPG ', 'LAI ', &\n 'SLTYP ', 'Q2 ', &\n 'SEAICE ', 'SOIM1 ', &\n 'SOIM2 ', 'SOIT1 ', &\n 'SOIT2 ', 'LH ', &\n 'WWLT_PX ', 'WFC_PX ', &\n 'WSAT_PX ', 'CLAY_PX ', &\n 'CSAND_PX ', 'FMSAND_PX ' /)\n\n CHARACTER (LEN = 16), PARAMETER :: metcro2d_units(n_metcro2d_var) = &\n (/ 'Pascal ', 'M/S ', &\n 'M/S ', 'M ', &\n 'M ', '1/M ', &\n 'WATTS/M**2 ', 'S/M ', &\n 'S/M ', 'M/S ', &\n 'WATTS/M**2 ', 'WATTS/M**2 ', &\n 'CM ', 'CM ', &\n 'FRACTION ', 'M ', &\n 'M ', 'G/M**3 ', &\n 'NODIM ', 'NO UNIT ', &\n 'K ', 'M ', &\n 'K ', 'AREA/AREA ', &\n '- ', 'KG/KG ', &\n 'FRACTION ', 'M**3/M**3 ', &\n 'M**3/M**3 ', 'K ', &\n 'K ', 'WATTS/M**2 ', &\n 'M**3/M**3 ', 'M**3/M**3 ', &\n 'M**3/M**3 ', 'FRACTION ', &\n 'FRACTION ', 'FRACTION ' /)\n\nend module twoway_met_param_module\n" }, { "path": "CCTM/src/twoway/twoway_rrtmg_aero_optics.F90", "content": "! Revision History:\n! 2016/02/23 David Wong extracted the complex number module and put it in a file\n! 2016/05/23 David Wong - replaced rrtmg_aero_optical_util_module with\n! cmaq_rrtmg_aero_optical_util_module to avoid duplication \n! of the same module name on WRF side of the two-way model\n\nMODULE cmaq_rrtmg_aero_optical_util_module\n\n\n Integer :: AERO_UTIL_LOG = 0 \nprivate\npublic :: aero_optical, aero_optical2, aero_optical_CS, AERO_UTIL_LOG\n\ninterface ghintBH \n module procedure ghintBH_1, ghintBH_2, ghintBH_Odd\nend interface\n\ninterface ghintBH_CS\n module procedure ghintBH_CS_even, ghintBH_CS_odd\nend interface\n\n Logical, Parameter :: Use_Odd_Quadrature = .True.\n Integer, Parameter :: Quadrature_Points = 3\n! Integer, Parameter :: Quadrature_Points = 1\n \n!B.Hutzell One point quadature IGH = 1\n\n real, parameter :: ghxi_1(1) = 0.00000000000\n real, parameter :: ghwi_1(1) = 1.77245385091\n \n!B.Hutzell Three point quadature IGH = 3\n real, parameter :: ghxi_3(3) = (/ -1.22474487139, &\n 0.00000000000, &\n 1.22474487139 /)\n\n real, parameter :: ghwi_3(3) = (/ 0.295408975151, &\n 1.181635900000, &\n 0.295408975151 /)\n \n!B.Hutzell Five point quadature IGH = 5\n real(8), parameter :: ghxi_5(5) = (/ -2.02018287046d0, &\n -0.958572464614d0, & \n 0.00000000000d0, &\n 0.958572464614d0, &\n 2.02018287046d0 /)\n\n real(8), parameter :: ghwi_5(5) = (/ 0.019953242059d0, &\n 0.393619323152d0, &\n 0.945308720483d0, &\n 0.393619323152d0, &\n 0.019953242059d0 /)\n\n \n\n!B.Hutzell Nine point quadature IGH = 9 points\n!No. Abscissas Weight Total Weight \n real, parameter :: ghxi_9(9) = (/ -3.19099320178, & \n -2.26658058453, & \n -1.46855328922, & \n -0.72355101875, & \n 0.00000000000, & \n 0.72355101875, & \n 1.46855328922, & \n 2.26658058453, & \n 3.19099320178 /) \n\n real, parameter :: ghwi_9(9) = (/ 3.96069772633E-5, &\n 0.00494362428, &\n 0.08847452739, &\n 0.43265155900, &\n 0.72023521561, &\n 0.43265155900, &\n 0.08847452739, &\n 0.004943624275, &\n 3.96069772633E-5 /)\n\n\n\ncontains\n\n! ------------------------------------------------------------------\n subroutine getqext_BH (xx, crefin, qextalf, qscatalf, gscatalfg,SUCCESS)\n implicit none\n\n real, intent(in) :: XX \n real, intent(out) :: qextalf, qscatalf, gscatalfg\n complex, intent(in) :: CREFIN\n logical, intent(out) :: success\n!local \n real( 8 ), parameter :: one_third = 1.0d0 / 3.0d0\n integer :: NXX\n integer :: nstop, modulus\n\n real :: QEXT, QSCA, QBACK, G_MIE, xx1\n \n real( 8 ) :: x\n complex( 8 ) :: refractive_index\n \n x = real( XX, 8 )\n refractive_index = dcmplx( real( CREFIN ), imag( CREFIN ) )\n \n modulus = int( abs( x * refractive_index ) ) \n nstop = int( x + 4.0d0 * x**one_third + 2.0d0 )\n \n nxx = max( modulus, nstop ) + 15\n \n xx1 = 1.0 / XX\n \n! CALL BHMIE (XX,CREFIN,QEXT,QSCA,QBACK,G_MIE, SUCCESS)\n CALL BHMIE_FLEXI (XX, NXX, NSTOP, CREFIN,QEXT,QSCA,QBACK,G_MIE, SUCCESS)\n\n qextalf = QEXT * xx1\n qscatalf = QSCA * xx1\n gscatalfg = qscatalf * G_MIE\n\n end subroutine getqext_bh\n\n! ------------------------------------------------------------------\n SUBROUTINE BHMIE (X, REFREL, QQEXT, QQSCA, QBACK, GSCA, SUCCESS)\n\n! FSB Changed the call vector to return only QEXT, QSCAT QBACK GSCA\n! and ignore NANG, S1 and S2 and all calculations for them\n\n implicit none \n\n! Arguments:\n real, intent(in) :: X ! X = pi*particle_diameter / Wavelength\n complex, intent(in) :: REFREL\n\n! REFREL = (complex refr. index of sphere)/(real index of medium)\n! in the current use the index of refraction of the the medium\n! i taken at 1.0 real.\n!\n! Output\n\n real, intent(out) :: QQEXT, QQSCA, QBACK, GSCA\n logical, intent(out) :: SUCCESS\n\n! QQEXT Efficiency factor for extinction\n! QQSCA Efficiency factor for scattering\n! QQBACK Efficiency factor for back scatter\n! GSCA asymmetry factor \n! SUCCESS flag for successful calculation\n! REFERENCE: \n! Bohren, Craig F. and Donald R. Huffman, Absorption and \n! Scattering of Light by Small Particles, Wiley-Interscience\n! copyright 1983. Paperback Published 1998.\n! FSB\n! This code was originally listed in Appendix A. pp 477-482.\n! As noted below, the original code was subsequently \n! modified by Prof. Bruce T. Drain of Princetion University.\n! The code was further modified for a specific application\n! in a large three-dimensional code requiring as much \n! computational efficiency as possible. \n! Prof. Francis S. Binkowski of The University of North\n! Carolina at Chapel Hill. \n\n! Declare parameters:\n! Note: important that MXNANG be consistent with dimension of S1 and S2\n! in calling routine!\n\n integer, parameter :: MXNANG=10, NMXX=600000 ! FSB new limits\n real*8, parameter :: PII = 3.1415916536D0\n real*8, parameter :: ONE = 1.0D0, TWO = 2.0D0\n\n! Local variables:\n integer :: NANG\n integer :: N,NSTOP,NMX,NN\n real*8 :: QSCA, QEXT, DX1, DXX1 \n real*8 :: CHI,CHI0,CHI1,DX,EN,P,PSI,PSI0,PSI1,XSTOP,YMOD \n real*8 :: TWO_N_M_ONE, TWO_N_P_ONE, EN1, FACTOR\n complex*16 :: AN,AN1,BN,BN1,DREFRL,XI,XI1,Y, Y1, DREFRL1\n complex*16 :: D(NMXX), FAC1, FAC2\n complex*16 :: XBACK\n\n!***********************************************************************\n! Subroutine BHMIE is the Bohren-Huffman Mie scattering subroutine\n! to calculate scattering and absorption by a homogenous isotropic\n! sphere.\n! Given:\n! X = 2*pi*a/lambda\n! REFREL = (complex refr. index of sphere)/(real index of medium)\n! real refractive index of medium taken as 1.0 \n! Returns:\n! QEXT = efficiency factor for extinction\n! QSCA = efficiency factor for scattering\n! QBACK = efficiency factor for backscatter\n! see Bohren & Huffman 1983 p. 122\n! GSCA = asymmetry for scattering\n!\n! Original program taken from Bohren and Huffman (1983), Appendix A\n! Modified by Prof. Bruce T.Draine, Princeton Univ. Obs., 90/10/26\n! in order to compute \n! 91/05/07 (BTD): Modified to allow NANG=1\n! 91/08/15 (BTD): Corrected error (failure to initialize P)\n! 91/08/15 (BTD): Modified to enhance vectorizability.\n! 91/08/15 (BTD): Modified to make NANG=2 if called with NANG=1\n! 91/08/15 (BTD): Changed definition of QBACK.\n! 92/01/08 (BTD): Converted to full double precision and double complex\n! eliminated 2 unneed lines of code\n! eliminated redundant variables (e.g. APSI,APSI0)\n! renamed RN -> EN = double precision N\n! Note that DOUBLE COMPLEX and DCMPLX are not part\n! of f77 standard, so this version may not be fully\n! portable. In event that portable version is\n! needed, use src/bhmie_f77.f\n! 93/06/01 (BTD): Changed AMAX1 to generic function MAX\n! FSB April 09,2012 This code was modified by: \n! Prof. Francis S. Binkowski University of North Carolina at\n! Chapel Hill, Institue for the Environment.\n!\n! The modifications were made to enhance computation speed \n! for use in a three-dimensional code. This was done by\n! removing code that calculated angular scattering. The method\n! of calculating QEXT, QBACK was also changed. \n \n!***********************************************************************\n!*** Safety checks\n\n SUCCESS = .TRUE.\n NANG = 2 ! FSB only this value \n! IF(NANG.GT.MXNANG)STOP'***Error: NANG > MXNANG in bhmie'\n! IF (NANG .LT. 2) NANG = 2\n\n DX = REAL( X, 8 )\n! FSB Define reciprocals so that divisions can be replaced by multiplications. \n DX1 = ONE / DX\n DXX1 = DX1 * DX1\n DREFRL = DCMPLX( REFREL ) \n DREFRL1 = ONE / DREFRL\n Y = DX * DREFRL\n Y1 = ONE / Y\n YMOD = ABS(Y)\n \n!*** Series expansion terminated after NSTOP terms\n! Logarithmic derivatives calculated from NMX on down\n XSTOP = REAL( X + 4.0 * X**0.3333 + 2.0, 8)\n NMX = INT( MAX(XSTOP,YMOD) ) + 15\n\n! BTD experiment 91/1/15: add one more term to series and compare results\n! NMX=AMAX1(XSTOP,YMOD)+16\n! test: compute 7001 wavelengths between .0001 and 1000 micron\n! for a=1.0micron SiC grain. When NMX increased by 1, only a single\n! computed number changed (out of 4*7001) and it only changed by 1/8387\n! conclusion: we are indeed retaining enough terms in series!\n NSTOP = INT( XSTOP )\n FACTOR = 1.0D0\n \n IF (NMX .GT. NMXX) THEN\n WRITE(6,*)'Error: NMX > NMXX=',NMXX,' for |m|x=',YMOD\n SUCCESS = .FALSE.\n RETURN\n END IF\n\n! FSB all code relating to scattering angles is removed out for\n! reasons of efficiency when running in a three-dimensional \n! code. We only need QQSCA, QQEXT, GSCA AND QBACK\n\n \n!*** Logarithmic derivative D(J) calculated by downward recurrence\n! beginning with initial value (0.,0.) \n \n D(NMX) = DCMPLX(0.0D0,0.0D0)\n NN = NMX - 1\n DO N = 1,NN\n EN = REAL(NMX - N + 1, 8 )\n! FSB In the following division by Y has been replaced by \n! multiplication by Y1, the reciprocal of Y. \n D(NMX-N) = ( EN * Y1 ) - (ONE / ( D(NMX-N+1) + EN * Y1)) \n END DO\n \n!*** Riccati-Bessel functions with real argument X\n! calculated by upward recurrence\n \n PSI0 = COS(DX)\n PSI1 = SIN(DX)\n CHI0 = -SIN(DX)\n CHI1 = PSI0\n XI1 = DCMPLX(PSI1,-CHI1)\n QSCA = 0.0D0\n GSCA = 0.0D0\n QEXT = 0.0D0\n P = -ONE\n XBACK = (0.0d0,0.0d0)\n\n! FSB Start main loop \n DO N = 1,NSTOP\n EN = REAL( N, 8)\n EN1 = ONE / EN\n TWO_N_M_ONE = TWO * EN - ONE\n! for given N, PSI = psi_n CHI = chi_n\n! PSI1 = psi_{n-1} CHI1 = chi_{n-1}\n! PSI0 = psi_{n-2} CHI0 = chi_{n-2}\n! Calculate psi_n and chi_n\n PSI = TWO_N_M_ONE * PSI1 * DX1 - PSI0\n CHI = TWO_N_M_ONE * CHI1 * DX1 - CHI0\n XI = DCMPLX(PSI,-CHI)\n \n!*** Compute AN and BN:\n! FSB Rearrange to get common terms\n FAC1 = D(N) * DREFRL1 + EN * DX1 \n AN = (FAC1) * PSI - PSI1\n AN = AN / ( (FAC1 )* XI - XI1 )\n FAC2 = ( DREFRL * D(N) + EN * DX1)\n BN = ( FAC2) * PSI -PSI1\n BN = BN / ((FAC2) * XI - XI1 )\n\n! FSB calculate sum for QEXT as done by Wiscombe\n! get common factor\n TWO_N_P_ONE = (TWO * EN + ONE)\n QEXT = QEXT + (TWO_N_P_ONE) * (REAL(AN) + REAL(BN) ) \n QSCA = QSCA + (TWO_N_P_ONE) * ( ABS(AN)**2+ ABS(BN)**2 )\n \n! FSB calculate XBACK from B & H Page 122 \n FACTOR = -1.0d0 * FACTOR ! calculate (-1.0 ** N)\n XBACK = XBACK + (TWO_N_P_ONE) * factor * (AN - BN)\n \n! FSB calculate asymmetry factor \n GSCA = GSCA + REAL( ((TWO_N_P_ONE)/(EN * (EN + ONE))) * &\n (REAL(AN)*REAL(BN)+IMAG(AN)*IMAG(BN)))\n\n IF (N .GT. 1)THEN\n GSCA = GSCA + REAL( (EN - EN1) * &\n (REAL(AN1)*REAL(AN) + IMAG(AN1)*IMAG(AN) + &\n REAL(BN1)*REAL(BN) + IMAG(BN1)*IMAG(BN)))\n ENDIF\n\n!*** Store previous values of AN and BN for use in computation of g=\n AN1 = AN\n BN1 = BN\n\n! FSB set up for next iteration\n PSI0 = PSI1\n PSI1 = PSI\n CHI0 = CHI1\n CHI1 = CHI\n XI1 = DCMPLX(PSI1,-CHI1)\n\n END DO ! main loop on n\n \n!*** Have summed sufficient terms.\n\n! Now compute QQSCA,QQEXT,QBACK,and GSCA\n GSCA = REAL( TWO / QSCA ) * GSCA\n\n! FSB in the following, divisions by DX * DX has been replaced by\n! multiplication by DXX1 the reciprocal of 1.0 / (DX *DX) \n QQSCA = REAL( TWO * QSCA * DXX1 )\n QQEXT = REAL( TWO * QEXT * DXX1 ) \n QBACK = REAL( REAL ( 0.5d0 * XBACK * CONJG(XBACK), 8 ) * DXX1 ) ! B&H Page 122\n\n END subroutine BHMIE\n\n! ------------------------------------------------------------------\n subroutine aero_optical ( lamda_in, nmode, nr, ni, Vol, &\n dgn, sig, bext, bscat, g_bar, &\n modulus, success )\n \n! *** calculate the extinction and scattering coefficients and\n! assymetry factors for each wavelength as a sum over the \n! individual lognormal modes. Each mode may have a different \n! set of refractive indices.\n\n IMPLICIT NONE\n! *** input variables\n real, intent(in) :: lamda_in ! wavelengths [micro-m]\n INTEGER, intent(in) :: nmode ! number of lognormal modes\n real, intent(in) :: nr( nmode), ni(nmode) ! real and imaginary \n ! refractive indices\n real, intent(in) :: Vol(nmode) ! modal aerosol volumes [m**3 /m**3]\n real, intent(in) :: dgn(nmode) ! geometric mean diameters \n ! for number distribution [ m]\n real, intent(in) :: sig(nmode) ! geometric standard deviation \n\n real, intent(in), optional :: modulus(nmode) ! modulus of refracive index \n \n! *** output variables \n real, intent(out) :: bext ! extinction coefficient [ 1 / m ]\n real, intent(out) :: bscat ! scattering coefficient [ 1 / m ]\n real, intent(out) :: g_bar ! assymetry factor for Mie and molecular scattering\n logical, intent(out) :: success ! flag for successful calculation\n! *** internal variables\n INTEGER :: j ! loop index\n! real :: xlnsig(nmode) ! natural log of geometric standard deviations \n real :: beta_Sc, bsc !aerosol scattering coefficient \n \n real :: beta_Ex ! aerosol extinction coefficients \n real :: G ! modal aerosol assymetry factors\n real :: sum_g\n real :: LSIGX\n real :: lamdam1 ! 1/ lamda\n real :: alphav ! Mie size parameter\n real :: vfac\n real :: modalph\n\n real, parameter :: pi = 3.14159265359\n\n Logical, Save :: Initialize = .True.\n \n! *** coded 09/08/2004 by Dr. Francis S. Binkowski\n! FSB Modified for RRTMG version December 2009.\n! FSB modified 10/06/2004, 10/12/2004, 10/18/2005\n! FSB 01/12/2006\n! Formerly Carolina Environmental Program\n! FSB now the Institute for the Environment\n! University of North Carolina at Chapel Hill\n! email: frank_binkowski@unc.edu\n\n\n! *** initialize variables\n lamdam1 = 1.0e6 / lamda_in ! lamda now in [ m ]\n bext = 0.0\n bscat = 0.0\n sum_g = 0.0\n \n! write(30,*) ' inside aero_optical', ' lamda = ', lamda\n \n DO j = 1, nmode\n! calculate the extinction and scattering coefficients\n! for each mode \n! write(20,*) ' j = ', j\n LSIGX = log(sig(j))\n\n! write(30,*) 'j = ', j\n! write(30,*) 'VLX = ', Vol(j)\n! write(30,*) 'DGX = ', dgn(j)\n! write(30,*) 'SIGX = ', sig(j)\n! write(30,*) 'NRX =', nr(j)\n! write(30,*) 'NIX = ', ni(j)\n! write(30,*) 'LSIGX = ', LSIGX\n \n! calculate Mie size parameter for volume distribution\n! exp(3.0 * xlnsig*xlnsig) converts dgn to dgv (volume diameter)\n alphav = pi * dgn(j) * exp(3.0 * LSIGX * LSIGX) * lamdam1\n\n if (present(modulus)) then\n modalph = alphav * modulus(j) \n end if\n\n! Write(30,*) ' alphav = ', alphav\n \n! write(20,*) j, alphav, modalph, modulus(j)\n! write(20,*) j, alphav, modalph, nr(j), ni(j)\n \n \n CALL ghintBH (nr(j), ni(j), alphav, LSIGX, beta_EX, beta_Sc, G, success) \n\n! write(30,*) 'after Call to ghintBH ',' j = ', j \n! write(30,*) ' beta_EX =', beta_EX\n! write(30,*) ' beta_SC = ', beta_Sc\n! write(30,*) ' G = ', G\n\n! *** ghintBH returns the normalized values\n! Calculate the actual extinction and scattering coefficients \n! by multplying by the modal volume and dividing by the wavelength\n \n \n vfac = Vol(j) * lamdam1 \n\n! write(20,*)' vfac = ', vfac\n! write(20,*)' G = ', G\n! write(20,*) ' beta_Ex = ', beta_Ex\n! write(20,*) ' beta_Sc = ', beta_Sc\n \n! *** sum to get total extinction and scattering \n! and contribution to the overal assymetry factor\n\n bext = bext + vfac * beta_Ex ! [ 1 / m ]\n bsc = vfac * beta_Sc\n bscat = bscat + bsc \n sum_g = sum_g + bsc * G\n\n END DO ! loop on modes \n \n! *** calculate combined assymetry factor for all modes \n\n g_bar = sum_g / bscat ! changed to divide by bscat\n\n! write(30,*) ' inside aero_optical after loop ' \n! write(30,*) ' g_bar = ', g_bar\n! write(20,*) ' bext = ', bext\n! write(20,*) ' bscat = ', bscat\n! write(20,*) ' gbar = ', g_bar \n \n END SUBROUTINE aero_optical\n\n! ------------------------------------------------------------------\n subroutine ghintBH_1 (nr, ni, alfv, xlnsig, Qext_GH, Qscat_GH, g_gh, success) \n\n! FSB *********** This is the newest (05_30_2012) version of GhintBH\n! this version does the Mie method and calculates the optimum set of \n! set of Gauss-Hermite abscissas and weights. \n! FSB Calls Penndorf codes for alfv .le. 0.3 \n\n! Dr. Francis S. Binkowski, The University of North Carolina\n! at Chapel Hill\n! FSB this code file now contains all of the necessary subroutines that \n! are called to perform an integral of the Bohren and Huffman\n! Mie codes ( as updated by Prof. Bruce C. Drain of Princeton)\n! calculates the extinction and scattering coefficients \n! normalized by wavelength and total particle volume\n! concentration for a log normal particle distribution \n! with the logarithm of the geometric standard deviation\n! given by xlnsig. The integral of the\n! asymmetry factor g is also calculated.\n! FSB Change 12/20/2011 This code now has a choice of IGH based\n! upon alfv and nr. \n! *** Does Gauss-Hermite quadrature of Qext / alfa & Qscat / alfa\n! and asymmetry factor over log normal distribution using \n! symmetric points.\n \n implicit none\n\n real, intent(in) :: nr, ni ! refractive indices\n real, intent(in) :: alfv ! Mie parameter for dgv\n real, intent(in) :: xlnsig ! log of geometric standard deviation\n real, intent(out) :: Qext_GH ! normalized extinction efficiency\n real, intent(out) :: Qscat_GH ! normalized scattering efficiency\n real, intent(out) :: g_GH ! asymmetry factor \n logical, intent(out) :: success ! flag for successful calculation\n \n real :: bext_P, bscat_P, babs_P, g_PCS, xlnsg2 ! see below for definition\n \n real :: aa1 ! see below for definition\n real :: alfaip, alfaim ! Mie parameters at abscissas\n \n! *** these are Qext/alfa and Qscat/alfv at the abscissas\n real :: qalfip_e, qalfim_e ! extinction \n real :: qalfip_s, qalfim_s ! scattering\n real :: gsalfp, gsalfm ! scattering times asymmetry factor\n integer :: IGH ! index for GH quadrature \n\n! FSB define parameters \n real, parameter :: pi = 3.14159265\n real, parameter :: sqrtpi = 1.772454 \n real, parameter :: sqrtpi1 = 1.0 / sqrtpi \n real, parameter :: sqrt2 = 1.414214 \n real, parameter :: three_pi_two = 3.0 * pi / 2.0 \n real, parameter :: const = three_pi_two * sqrtpi1 \n \n integer :: i\n complex :: crefin ! complex index of refraction \n real :: sum_e,sum_s, xi,wxi,xf\n real :: sum_sg\n\n! Gauss-Hermite abscissas and weights\n! *** the following weights and abscissas are from Abramowitz\n! Stegun, Table 25.10 page 924 \n! FSB full precision from Table 25.10 \n\n! FSB ten-point - IGH = 5\n real, parameter :: ghxi_10(5) = (/ 0.342901327223705, &\n 1.036610829789514, &\n 1.756683649299882, &\n 2.532731674232790, &\n 3.436159118837738 /)\n\n real, parameter :: ghwi_10(5) = (/ 6.108626337353e-01, &\n 2.401386110823e-01, &\n 3.387439445548e-02, &\n 1.343645746781e-03, &\n 7.640432855233e-06 /)\n\n! FSB six-point - IGH = 3\n real, parameter :: ghxi_6(3) = (/ 0.436077411927617, &\n 1.335849074013597, &\n 2.350604973674492 /)\n\n real, parameter :: ghwi_6(3) = (/ 7.246295952244e-01, &\n 1.570673203229e-01, &\n 4.530009905509e-03 /)\n\n! FSB two-point - IGH = 1\n real, parameter :: ghxi_2(1) = (/ 0.707106781186548 /)\n\n real, parameter :: ghwi_2(1) = (/ 8.862269254528e-01 /)\n\n real :: GHXI(5), GHWI(5) ! weight and abscissas\n integer :: NMAX ! number of weights and abscissa\n\n! FSB Check for valid range of Penndorf application. \n if ( alfv .le. 0.3) then\n xlnsg2 = xlnsig*xlnsig\n call pennfsb (nr,ni,alfv,xlnsg2,bext_P,bscat_P,babs_P,g_PCS)\n Qext_GH = bext_P\n Qscat_GH = bscat_p\n g_GH = g_PCS * exp(4.0 * xlnsg2) ! match GH integral \n else\n\n! FSB We need to do a full Mie calculation now \n! Choose IGH. These choices are designed to improve\n! the computational efficiency without sacrificing accuracy.\n\n IGH=3 ! default value; six_point is sufficient generally\n! six point\n NMAX = 3\n\n if (nr .ge. 1.7) then \n! 10 point \n IGH = 5 ! more points needed here\n NMAX = 5\n end if\n\n if ( alfv .gt. 20.0 .or. alfv .lt. 0.5 ) then\n IGH = 1 ! in this range fewer points are needed\n NMAX = 1\n end if\n\n if (IGH == 1) then\n GHXI(1) = ghxi_2(1)\n GHWI(1) = ghwi_2(1)\n else if (IGH == 3) then\n do i = 1, NMAX\n GHXI(i) = ghxi_6(i)\n GHWI(i) = ghwi_6(i)\n end do \n else\n do i = 1,NMAX\n GHXI(i) = ghxi_10(i)\n GHWI(i) = ghwi_10(i)\n end do \n end if ! set up number of abscissas and weights \n \n! FSB set complex refractive index. \n crefin= cmplx(nr,ni) \n\n! FSB now start the integration code\n aa1 = sqrt2 * xlnsig ! This 1.0 / Sqrt( A ) in derivation of the integral\n ! where A = 1.0 / ( 2.0 * xlnsg**2 ) \n\n! Then alpha = alfv * exp[ u / sqrt(A) ]\n! For Gauss-Hermite Quadrature u = xi \n! Therefore, xf = exp( xi / sqrt(A) ),\n! or xf = exp( xi * aa1 ) \n sum_e = 0.0\n sum_s = 0.0\n sum_sg = 0.0\n! FSB do NMAX calls to the MIE codes\n do i = 1,NMAX\n xi = GHXI(i)\n wxi = GHWI(i)\n xf = exp( xi * aa1 )\n alfaip = alfv * xf\n alfaim = alfv / xf ! division cheaper than another exp()\n! *** call subroutine to fetch the effficiencies\n\n call getqext_BH (alfaip, crefin, qalfip_e, qalfip_s, gsalfp, success)\n call getqext_BH (alfaim, crefin, qalfim_e, qalfim_s, gsalfm, success)\n\n sum_e = sum_e + wxi * ( qalfip_e + qalfim_e ) \n sum_s = sum_s + wxi * ( qalfip_s + qalfim_s ) \n sum_sg = sum_sg + wxi * ( gsalfp + gsalfm ) \n end do \n\n g_GH = sum_sg / sum_s ! this is \n Qext_GH = const * sum_e ! \n Qscat_GH = const * sum_s \n end if\n\n end subroutine ghintBH_1\n\n! ------------------------------------------------------------------\n subroutine pennfsb (n, k, xx, lnsg2, bext, bscat, babs, g)\n\n! FSB a new version of Penndorf's equations. This version does \n! analytical integration for Qext, Qscat, Qabs to generate\n! bext, bscat, babs. Note that the expressions for Qext & Qscat\n! hve been divide through by xx.\n!\n! Reference:\n! Caldas, M., V. Semiao, 2001, Radiative properties of small\n! particles: and extension of the Penndorff Model. Journal \n! of the Optical Society of America A, Vol. 18, No. 4, \n! pp 831-838. \n\n! Penndorf, R., 1962a,Scattering and extinction coefficients for small\n! absorbing and nonabsorbing aerosols,\n! J. Optical Society of America, 52, 896-904.\n\n! Penndorf, P., 1962b,Scattering and extinction coefficients for \n! small Spherical aerosols, J. Atmos. Sci., 19, p 193\n\n! FSB Coded by Dr. Francis S. Binkowski on October 25, 2011 by combining\n! two previous versions to get a common code for the Penndorf and\n! and Caldas & Semiao approaches. The Penndorf Qext, Qscat are much\n! better than the versions from Caldas & Semiao despite claims to\n! the contrary. The values of the asymmetry factor from Caldas & Semiao \n! are better than can be obtained from Penndorf. \n\n! FSB This version does the analytical integral ove a lognormal \n! size distribution.\n\n implicit none \n! input variables\n real, intent(in) :: n, k ! refractive index\n real, intent(in) :: xx ! pi * diameter / wavelength\n real, intent(in) :: lnsg2 ! log(sigma_g)**2 \n real, intent(out) :: bext ! extinction coefficient\n real, intent(out) :: bscat ! scattering coefficient\n real, intent(out) :: babs ! absorption coefficient\n real, intent(out) :: g ! asmmetry factor\n\n! internal variables\n complex*16 :: m, m2,m4,m6,m21,m22 \n complex*16 :: P,Q,R,S,T,U,V,W\n complex*16 :: Qprime, Rprime,Sprime,Tprime\n complex*16 :: Uprime, Vprime, Wprime\n real*8 :: Qs, gQs, gpennCS\n real*8 :: P1,P2, Q1, Q2 , S2,V1, V2 ! see usage\n real*8 :: P1SQ, P2SQ ! see usage\n real*8 :: y, y2, y3, y4, y6, y7, y8, y9 \n real*8 :: x, x2, x3, x4, x6, x7, x8, x9 \n real :: mag, modalf\n! FSB define useful numbers and fractions \n real, parameter :: pi = 3.14159265358979324d0 \n real, parameter :: three_pi_two = 1.5d0 * pi\n\n real*8, parameter :: one = 1.0d0\n real*8, parameter :: two = 2.0d0\n real*8, parameter :: three = 3.0d0\n real*8, parameter :: four = 4.0d0\n real*8, parameter :: five = 5.0d0\n real*8, parameter :: six = 6.0d0\n real*8, parameter :: eight = 8.0d0\n real*8, parameter :: nine = 9.0d0\n real*8, parameter :: fifteen = 15.0d0\n real*8, parameter :: fortyfive = 45.0d0\n! real*8, parameter :: two5ths = two / five\n real*8, parameter :: twothrds = two / three\n real*8, parameter :: fourthirds = four / three\n real*8, parameter :: onefifteenth = one / fifteen\n real*8, parameter :: twofifteenths = two * onefifteenth\n! real*8, parameter :: fourninths = four / nine\n real*8, parameter :: eightthirds = two * fourthirds\n real*8, parameter :: one_big = one / 31500.0d0\n real*8, parameter :: two_fortyfive = two / fortyfive\n real*8, parameter :: four_225 = four / 225.0d0 \n real*8, parameter :: one_210 = one / 210.0d0\n! real*8, parameter :: one_half = one / two \n! real*8, parameter :: four_two = two\n real*8, parameter :: nine_two = 4.5d0\n! real*8, parameter :: sixteen_two = eight\n! real*8, parameter :: thirtysix_two = 36.0 / two\n! real*8, parameter :: twentyfive_two = 25.0d0 / two\n! real*8, parameter :: sixtyfour_two = 64.0d0 / two\n! real*8, parameter :: fortynine_two = 49.0d0 / two\n! real*8, parameter :: eightyone_two = 81.0d0 / two\n real*8 :: A,B,C,D,E, AA,BB,CC\n\n! FSB start code\n mag = sqrt( n * n + k * k )\n modalf = mag * xx\n y = REAL( xx, 8 ) ! convert to real*8\n! FSB get powers of y \n y2 = y * y\n y3 = y2 * y\n y4 = y3 * y\n y6 = y3 * y3\n y7 = y3 * y4\n y8 = y4 * y4\n y9 = y6 * y3 \n\n! FSB Calculate integrals ove the lognormal distribution\n! this is done term by term and the form is\n! xn = yn * exp( (n**2) * lnsig2 /2.0d0)\n\n x = y \n x2 = y2 * exp( two * lnsg2)\n x3 = y3 * exp( nine_two * lnsg2)\n x4 = y4 ! * exp( eight * lnsg2) \n x6 = y6 ! * exp( thirtysix_two * lnsg2)\n x7 = y7 ! * exp( fortynine_two * lnsg2)\n x8 = y8 ! * exp( fortynine_two * lnsg2)\n x9 = y9 ! * exp( eightyone_two * lnsg2)\n\n \n! FSB explicitly calculate complex refrative index m \n m = dcmplx(n,-k)\n! FSB get powers and functions of m \n m2 = m * m\n m4 = m2 * m2\n m6 = m2 * m4\n m21 = m2 - one\n m22 = m2 + two\n\n! FSB calculate Penndorf's definitions from Table II of Penndorf (1962a) \n P = m21 / m22\n Q = (m2 - two ) / m22\n S = m21 / ( two * m2 + three)\n V = m21\n! FSB get real & imaginary parts following Penndorf's mptation \n P1 = real(P)\n P2 = -aimag(P)\n P1SQ = P1 * P1\n P2SQ = P2 * P2\n\n Q1 = real(Q)\n Q2 = -aimag(Q)\n S2 = -aimag(S)\n V1 = real(V)\n v2 = -aimag(V)\n\n\n! FSB Get bext from Penndorf (1962a) Equation (7) up to x4 \n! consistent with equation (8)\n! We have then divided through by x and integrated analytically\n bext = REAL( four * P2 + ( 2.4d0 * (P1 * Q2 + P2 * Q1 ) + twothrds * S2 &\n + twofifteenths * V2 ) * x2 + ( eightthirds * ( P1SQ - P2SQ ) ) * x3, 4 )\n\n! FSB get bscat from Penndorf Equation (9) up to x4 \n! we have divided through by x and integrated analytically\n bscat = REAL( eightthirds * ( P1SQ + P2SQ ) * x3 )\n! FSB calculate babs\n! babs = bext - bscat\n\n! FSB now get asymmetry factor from Caldas & Semiao (2001) \n! \n! *** The following additional variables from Caldas & Semiao (2001)\n! are defined in Equations 10a to 10h.\n\n R = (m6 + 20.0d0*m4 -200.0d0*m2 + 200.0d0) / m22**2\n T = m21 / ( ( 2.0d0 * M2 + 3.0d0) **2 )\n U = m21 / (3.0d0 * M2 + 4.0d0 )\n W = m21 * ( 2.0d0 * m2 - 5.0d0)\n\n! *** further definitions from Caldas & Semiao (2001) \n Qprime = Q\n Rprime = 18.0d0 * R\n Sprime = 5.0d0 * S / P\n Tprime = 375.0d0 * T / P\n! Uprime = 28.0d0 * U / P\n Vprime = V / P\n Wprime = 5.0d0 * W / P\n\n! FSB calculate gQs and Qs from Caldas & Semiao (2001)\n! *** calculate Qs equation 13\n! Qs = eightthirds * abs(P)**2 &\n! * (x4 + onefifteenth * real(Qprime) * x6 &\n! + fourthirds * aimag(P) * x7 &\n! + one_big * ( 35.0d0 * abs(Qprime)**2 &\n! + 20.0d0 * real(Rprime) + 35.0d0 * abs(Vprime)**2 &\n! + 21.0d0 * abs(Sprime)**2 ) * x8 &\n! + two_fortyfive * aimag( Qprime * ( P - conjg(P) )) * x9 ) \n\n! *** calculate gQs equation 15\n \n! gQs = four_225 * abs(P)**2 * ( &\n! (5.0d0 * Real(Vprime) + 3.0d0 * real(Sprime) ) * x6 &\n! + one_210 * ( 35.0d0 * real(Vprime*conjg(Qprime) ) &\n! + 21.0d0 * real(Sprime * conjg(Qprime) ) &\n! + 10.0d0 * real(Wprime)- 6.0d0 * real(Tprime) ) * x8 &\n! - twothrds * ( 5.0d0 * aimag(Vprime * conjg(P) ) &\n! + 3.0d0 * aimag(Sprime * conjg(P) ) ) * x9 )\n\n! FSB recast into specific terms \n A = 1.0D0 * x4\n B = onefifteenth * real(Qprime) * x6 \n C = fourthirds * aimag(P) * x7\n D = one_big * ( 35.0d0 * abs(Qprime)**2 &\n + 20.0d0 * real(Rprime) + 35.0d0 * abs(Vprime)**2 &\n + 21.0d0 * abs(Sprime)**2 ) * x8 \n E = two_fortyfive * aimag( Qprime * ( P - conjg(P) )) * x9 \n \n Qs = eightthirds * abs(P)**2 *( A + B + C + D + E )\n \n AA = (5.0d0 * Real(Vprime) + 3.0d0 * real(Sprime) ) * x6 \n BB = one_210 * ( 35.0d0 * real(Vprime*conjg(Qprime) ) &\n + 21.0d0 * real(Sprime * conjg(Qprime) ) &\n + 10.0d0 * real(Wprime)- 6.0d0 * real(Tprime) ) * x8 \n CC = twothrds * ( 5.0d0 * aimag(Vprime * conjg(P) ) &\n + 3.0d0 * aimag(Sprime * conjg(P) ) ) * x9 \n\n gQs = four_225 * abs(P)**2 * ( AA + BB + CC )\n \n! FSB calculate asymmetry factor and adjust with empirical term. \n g = REAL(gQs / Qs)\n! FSB now multiply by three_pi_two get output values \n bext = three_pi_two * bext \n bscat = three_pi_two * bscat \n! FSB calculate babs\n babs = bext - bscat\n \n end subroutine pennfsb\n \n! ------------------------------------------------------------------\n subroutine aero_optical2( lamda_in, crefin, Vol, dgn, &\n sig, bext, bscat, gfac, success )\n\n! FSB NOTE: this subroutine calculates for single mode \n \n! *** calculate the extinction and scattering coefficients and\n! assymetry factors for each wavelength as a sum over the \n! individual lognormal modes. Each mode may have a different \n! set of refractive indices.\n\n IMPLICIT NONE\n\n! *** input variables\n real, intent(in) :: lamda_in ! wavelengths [micro-m]\n complex, intent(in) :: crefin ! Complex refractive index \n real, intent(in) :: Vol ! modal aerosol volumes [m**3 /m**3]\n real, intent(in) :: dgn ! geometric mean diameters \n ! for number distribution [ m]\n real, intent(in) :: sig ! geometric standard deviation \n \n! *** output variables \n real, intent(out) :: bext ! extinction coefficient [ 1 / m ]\n real, intent(out) :: bscat ! scattering coefficient [ 1 / m ]\n real, intent(out) :: gfac ! assymetry factor for Mie and molecular scattering\n logical, intent(out) :: success ! flag for successful calculation\n\n \n \n! *** internal variables\n! real :: xlnsig(nmode) ! natural log of geometric standard deviations \n real :: beta_Sc ! aerosol scattering coefficient \n \n real :: beta_Ex ! aerosol extinction coefficients \n real :: G ! modal aerosol assymetry factors\n real :: sum_g\n real :: LSIGX\n real :: lamdam1 ! 1/ lamda\n real :: alphav ! Mie size parameter\n real :: vfac\n real, parameter :: pi = 3.14159265359\n\n Logical, Save :: Initialize = .True.\n \n \n! FSB coded 04/15/2012 by Dr. Francis S. Binkowski\n! modified from an earlier version\n! Center for Environmental Modeling for PolicyDevelopment\n! Institute for the Environment\n! University of North Carolina at Chapel Hill\n! email: frank_binkowski@unc.edu\n\n! *** initialize variables\n lamdam1 = 1.0e6 / lamda_in ! lamda now in [ m ]\n bext = 0.0\n bscat = 0.0\n sum_g = 0.0\n! write(20,*) ' j = ', j\n LSIGX = log(sig)\n \n! calculate Mie size parameter for volume distribution\n! exp(3.0 * xlnsig*xlnsig) converts dgn to dgv (volume diameter)\n alphav = pi * dgn * exp(3.0 * LSIGX * LSIGX) * lamdam1\n \n! write(20,*) j, alphav, modalph, modulus(j)\n! write(20,*) j, alphav, modalph, NRX, NIX\n\n If(Initialize .And. AERO_UTIL_LOG .GT. 0 )Then\n If( Use_Odd_Quadrature )then\n write(AERO_UTIL_LOG,99501)Quadrature_Points\n else\n write(AERO_UTIL_LOG,99504)\n Initialize = .False.\n End If\n End If\n\n If( Use_Odd_Quadrature )then\n CALL ghintBH (Initialize, crefin, alphav, LSIGX, beta_EX, beta_Sc, G, success)\n Else\n CALL ghintBH (crefin, alphav, LSIGX, beta_EX, beta_Sc, G, success)\n End If\n \n\n! *** ghintBH returns the normalized values\n! Calculate the actual extinction and scattering coefficients \n! by multplying by the modal volume and dividing by the wavelength\n \n \n vfac = Vol * lamdam1 \n bext = vfac * beta_Ex ! [ 1 / m ]\n bscat = vfac * beta_Sc ! [ 1 / m ]\n gfac = G\n99501 Format(I2,' Quadrature Points for Volume Averaged Aerosol Optics')\n99504 Format('Even Number Quadrature Points for Volume Averaged Aerosol Optics')\n \n END SUBROUTINE aero_optical2\n\n! ------------------------------------------------------------------\n subroutine aero_optical_CS ( lamda_in, refcor,refshell, VOLCOR, &\n VOLSHELL, DGNCOR, DGNSHELL, SIG, &\n bext, bscat, gfac, succesS )\n \n! FSB NOTE: values for one mode are returend \n! *** calculate the extinction and scattering coefficients and\n! assymetry factors for each wavelength as a sum over the \n! individual lognormal modes. Each mode may have a different \n! set of refractive indices.\n\n IMPLICIT NONE\n! *** input variables\n real,intent(in) :: lamda_in ! wavelengths [micro-m] \n complex,intent(in) :: refcor ! Complex refractive index -core\n complex,intent(in) :: refshell ! Complex refractive index -shell\n real,intent(in) :: VOLCOR ! volume of core\n real,intent(in) :: VOLSHELL ! volume of shell\n real,intent(in) :: DGNCOR ! geometric mean diameters \n ! for number distribution [m]\n real,intent(in) :: DGNSHELL ! geometric mean diameters \n ! for number distribution [m]\n real,intent(in) :: SIG ! geometric standard deviation \n \n! *** output variables \n real,intent(out) :: bext ! extinction coefficient [ 1 / m ]\n real,intent(out) :: bscat ! scattering coefficient [ 1 / m ]\n real,intent(out) :: gfac ! assymetry factor \n logical, intent(OUT) :: success ! flag for successful calculation\n \n! *** internal variables\n! real :: xlnsig(nmode) ! natural log of geometric standard deviations \n real :: beta_Sc ! aerosol scattering coefficient \n \n real :: beta_Ex ! aerosol extinction coefficients \n real :: G ! modal aerosol assymetry factors\n real :: LSIGX\n real :: XX, YY ! Mie size parameter\n real :: expfac\n real :: lamdam1 ! 1/ lamda\n real :: vfac\n \n Logical, Save :: Initialize = .True.\n\n real, parameter :: pi = 3.14159265359\n \n! FSB coded 04/15/2012 by Dr. Francis S. Binkowski\n! modified from an earlier version\n! Center for Environmental Modeling for PolicyDevelopment\n! Institute for the Environment\n! University of North Carolina at Chapel Hill\n! email: frank_binkowski@unc.edu\n\n\n! *** initialize variables\n lamdam1 = 1.0e6 / lamda_in ! lamda now in [ m ]\n \n! write(20,*) ' inside aero_optical', ' lamda = ', lamda\n \n! calculate the extinction and scattering coefficients\n LSIGX = log(SIG)\n expfac = pi * exp(3.0 * LSIGX * LSIGX) * lamdam1\n \n! calculate Mie size parameter for volume distribution\n! exp(3.0 * xlnsig*xlnsig) converts dgn to dgv (volume diameter)\n XX = DGNCOR * expfac \n YY = DGNSHELL * expfac\n \n If(Initialize .And. AERO_UTIL_LOG .GT. 0 )Then\n If( Use_Odd_Quadrature )then\n write(AERO_UTIL_LOG,99500)Quadrature_Points\n else\n write(AERO_UTIL_LOG,99502)\n Initialize = .False.\n End If\n End If\n \n If( Use_Odd_Quadrature )then\n CALL ghintBH_CS(Initialize,refcor,refshell,XX,YY,LSIGX,beta_EX,beta_Sc,G, success)\n Else\n CALL ghintBH_CS(refcor,refshell,XX,YY,LSIGX,beta_EX,beta_Sc,G, success)\n End If \n\n! FSB ghintBH_CS returns the normalized values\n! Calculate the actual extinction and scattering coefficients \n! by multplying by the modal volume and dividing by the wavelength.\n! For the coated-sphere (core-shell) calculation use the combined\n! volume \n \n vfac = (VOLCOR + VOLSHELL) * lamdam1 \n bext = vfac * beta_Ex ! [ 1 / m ]\n bscat = vfac * beta_Sc ! [ 1 / m ]\n gfac = G\n99500 Format(I2,' Quadrature Points for Core-Shell Aerosol Optics')\n99502 Format('Even Number Quadrature Points for Core-Shell Aerosol Optics')\n END SUBROUTINE aero_optical_CS\n\n! ------------------------------------------------------------------\n subroutine ghintBH_2 (crefin,alfv,xlnsig,Qext_GH,Qscat_GH,g_gh, success) \n\n! *************** REVISED VERSION < NOTE\n! FSB *********** This is the newest (04_14_2012) version of GhintBH\n! this version does the Mie method and calculates the optimum set of \n! set of Gauss-Hermite abscissas and weights. \n! Dr. Francis S. Binkowski, The University of North Carolina\n! at Chapel Hill\n! FSB this code file now contains all of the necessary subroutines that \n! are called to perform an integral of the Bohren and Huffman\n! Mie codes ( as updated by Prof. Bruce C. Drain of Princeton)\n! calculates the extinction and scattering coefficients \n! normalized by wavelength and total particle volume\n! concentration for a log normal particle distribution \n! with the logarithm of the geometric standard deviation\n! given by xlnsig. The integral of the\n! asymmetry factor g is also calculated.\n! FSB Change 12/20/2011 This code now has a choice of IGH based\n! upon alfv and nr. \n! FBB Changes Simplified code. Eliminated Penndorf code\n! *** Does Gauss-Hermite quadrature of Qext / alfa & Qscat / alfa\n! and asymmetry factor over log normal distribution using \n! symmetric points.\n!\n implicit none\n\n complex, intent(in) :: crefin ! complex index of refraction\n real, intent(in) :: alfv ! Mie parameter for dgv\n real, intent(in) :: xlnsig ! log of geometric standard deviation\n real, intent(out) :: Qext_GH ! normalized extinction efficiency\n real, intent(out) :: Qscat_GH ! normalized scattering efficiency\n real, intent(out) :: g_GH ! asymmetry factor \n logical, intent(out) :: success ! flag for successful calculation\n \n real :: nr ! real part of refractive index \n real :: aa1 ! see below for definition\n real :: alfaip, alfaim ! Mie parameters at abscissas\n \n! *** these are Qext/alfa and Qscat/alfv at the abscissas\n real :: qalfip_e, qalfim_e ! extinction \n real :: qalfip_s, qalfim_s ! scattering\n real :: gsalfp, gsalfm ! scattering times asymmetry factor\n integer :: IGH ! index for GH quadrature \n\n! FSB define parameters \n real, parameter :: pi = 3.14159265\n real, parameter :: sqrtpi = 1.772454 \n real, parameter :: sqrtpi1 = 1.0 / sqrtpi \n real, parameter :: sqrt2 = 1.414214 \n real, parameter :: three_pi_two = 3.0 * pi / 2.0 \n real, parameter :: const = three_pi_two * sqrtpi1 \n \n integer :: i\n real :: sum_e,sum_s, xi,wxi,xf\n real :: sum_sg\n\n! Gauss-Hermite abscissas and weights\n! *** the following weights and abscissas are from Abramowitz\n! Stegun, Table 25.10 page 924\n! FSB full precision from Table 25.10 \n\n! FSB ten-point - IGH = 5\n real, parameter :: ghxi_10(5) = (/ 0.342901327223705, &\n 1.036610829789514, &\n 1.756683649299882, &\n 2.532731674232790, &\n 3.436159118837738 /)\n\n real, parameter :: ghwi_10(5) = (/ 6.108626337353e-01, &\n 2.401386110823e-01, &\n 3.387439445548e-02, &\n 1.343645746781e-03, &\n 7.640432855233e-06 /)\n\n! FSB six-point - IGH = 3\n real, parameter :: ghxi_6(3) = (/ 0.436077411927617, &\n 1.335849074013597, &\n 2.350604973674492 /)\n\n real, parameter :: ghwi_6(3) = (/ 7.246295952244e-01, &\n 1.570673203229e-01, &\n 4.530009905509e-03 /)\n\n! FSB two-point - IGH = 1\n real, parameter :: ghxi_2(1) = (/ 0.707106781186548 /)\n\n real, parameter :: ghwi_2(1) = (/ 8.862269254528e-01 /)\n\n real :: GHXI(5), GHWI(5) ! weight and abscissas\n integer :: NMAX ! number of weights and abscissa\n\n\n! start code\n! FSB now choose IGH. These choices are designed to improve\n! the computational efficiency without sacrificing accuracy.\n\n\n nr = real(crefin) \n\n IGH=3 ! default value; six_point is sufficient generally\n! six point\n NMAX = 3\n\n if (nr .ge. 1.7) then \n! 10 point \n IGH = 5 ! more points needed here\n NMAX = 5\n end if\n\n if( alfv .gt. 20.0 .or. alfv .lt. 0.5 ) then\n IGH = 1 ! in this range fewer points are needed\n NMAX = 1\n end if\n\n if (IGH == 1) then\n! two point\n GHXI(1) = ghxi_2(1)\n GHWI(1) = ghwi_2(1)\n else if (IGH == 3) then\n do i = 1, NMAX\n GHXI(i) = ghxi_6(i)\n GHWI(i) = ghwi_6(i)\n end do \n else\n do i = 1,NMAX\n GHXI(i) = ghxi_10(i)\n GHWI(i) = ghwi_10(i)\n end do \n end if ! set up number of abscissas and weights \n \n! FSB now start the integration code\n aa1 = sqrt2 * xlnsig ! This 1.0 / Sqrt( A ) in derivation of the integral\n ! where A = 1.0 / ( 2.0 * xlnsg**2 ) \n\n! Then alpha = alfv * exp[ u / sqrt(A) ]\n! For Gauss-Hermite Quadrature u = xi \n! Therefore, xf = exp( xi / sqrt(A) ),\n! or xf = exp( xi * aa1 ) \n\n sum_e = 0.0\n sum_s = 0.0\n sum_sg = 0.0\n! FSB do NMAX calls to the MIE codes \n do i = 1,NMAX\n xi = GHXI(i)\n wxi = GHWI(i)\n xf = exp( xi * aa1 )\n alfaip = alfv * xf\n alfaim = alfv / xf ! division cheaper than another exp()\n! *** call subroutine to fetch the effficiencies\n\n call getqext_BH(alfaip,crefin,qalfip_e,qalfip_s, gsalfp, success)\n call getqext_BH(alfaim,crefin,qalfim_e,qalfim_s, gsalfm, success)\n\n sum_e = sum_e + wxi * ( qalfip_e + qalfim_e ) \n sum_s = sum_s + wxi * ( qalfip_s + qalfim_s ) \n sum_sg = sum_sg + wxi * ( gsalfp + gsalfm ) \n\n end do \n\n g_GH = sum_sg / sum_s ! this is \n Qext_GH = const * sum_e ! \n Qscat_GH = const * sum_s \n\n end subroutine ghintBH_2\n\n! ------------------------------------------------------------------\n subroutine ghintBH_CS_even (RCORE, RSHELL , XX, YY, xlnsig, & \n Qext_GH,Qscat_GH, g_gh, success)\n\n! FSB code for coated-sphere (core-shell) version\n\n! *************** REVISED VERSION < NOTE\n! FSB *********** This is the newest (04_14_2012) version of ghintBH_CS\n! for the coated-sphere (core-shell) method using BHCOAT\n! this version does the Mie method and calculates the optimum set of \n! set of Gauss-Hermite abscissas and weights. \n! Dr. Francis S. Binkowski, The University of North Carolina\n! at Chapel Hill\n \n! FSB this code file now contains all of the necessary subroutines that \n! are called to perform an integral of the Bohren and Huffman\n! Mie codes ( as updated by Prof. Bruce C. Drain of Princeton)\n! calculates the extinction and scattering coefficients \n! normalized by wavelength and total particle volume\n! concentration for a log normal particle distribution \n! with the logarithm of the geometric standard deviation\n! given by xlnsig. The integral of the\n! asymmetry factor g is also calculated.\n! FSB Change 12/20/2011 This code now has a choice of IGH based\n! upon alfv and nr. \n! FBB Changes Simplified code. Eliminated Penndorf code\n! *** Does Gauss-Hermite quadrature of Qext / alfa & Qscat / alfa\n! and asymmetry factor over log normal distribution using \n! symmetric points.\n!\n implicit none\n complex, intent(in) :: RCORE ! refractive index of core\n complex, intent(in) :: RSHELL ! refractive index of shell\n real, intent(in) :: XX ! Mie parameter for core\n real, intent(in) :: YY ! Mie parameter for shell\n real, intent(in) :: xlnsig ! log of geometric standard deviation\n real, intent(out) :: Qext_GH ! normalized extinction efficiency\n real, intent(out) :: Qscat_GH ! normalized scattering efficiency\n real, intent(out) :: g_GH ! asymmetry factor \n logical, intent(out) :: success ! flag for successful calculation\n\n real :: nr ! real part of refractive index \n real :: aa1 ! see below for definition\n real :: XXP, XXM ! Mie parameters at abscissas - CORE\n real :: YYP, YYM ! Mie parameters at abscissas - SHELL\n \n! FSB define parameters \n real, parameter :: pi = 3.14159265\n real, parameter :: sqrtpi = 1.772454 \n real, parameter :: sqrtpi1 = 1.0 / sqrtpi \n real, parameter :: sqrt2 = 1.414214 \n real, parameter :: three_pi_two = 3.0 * pi / 2.0 \n real, parameter :: const = three_pi_two * sqrtpi1 \n \n! *** these are Qext/alfa and Qscat/alfv at the abscissas\n real :: qalfip_e, qalfim_e ! extinction \n real :: qalfip_s, qalfim_s ! scattering\n real :: gsalfp, gsalfm ! scattering times asymmetry factor\n integer :: IGH ! index for GH quadrature \n integer :: i\n real :: sum_e,sum_s, xi,wxi,xf, temp\n real :: sum_sg\n\n! Gauss-Hermite abscissas and weights\n! *** the following weights and abscissas are from Abramowitz\n! Stegun, Table 25.10 page 924\n! FSB full precision from Table 25.10 \n\n! FSB ten-point - IGH = 5\n real, parameter :: ghxi_10(5) = (/ 0.342901327223705, &\n 1.036610829789514, &\n 1.756683649299882, &\n 2.532731674232790, &\n 3.436159118837738 /)\n\n real, parameter :: ghwi_10(5) = (/ 6.108626337353e-01, &\n 2.401386110823e-01, &\n 3.387439445548e-02, &\n 1.343645746781e-03, &\n 7.640432855233e-06 /)\n\n! FSB six-point - IGH = 3\n real, parameter :: ghxi_6(3) = (/ 0.436077411927617, &\n 1.335849074013597, &\n 2.350604973674492 /)\n\n real, parameter :: ghwi_6(3) = (/ 7.246295952244e-01, &\n 1.570673203229e-01, &\n 4.530009905509e-03 /)\n\n! FSB two-point - IGH = 1\n real, parameter :: ghxi_2(1) = (/ 0.707106781186548 /)\n\n real, parameter :: ghwi_2(1) = (/ 8.862269254528e-01 /)\n\n real GHXI(5), GHWI(5) ! weight and abscissas\n integer NMAX ! number of weights and abscissa\n\n! start code\n! FSB now choose IGH. These choices are designed to improve\n! the computational efficiency without sacrificing accuracy.\n\n\n nr = real(RSHELL) \n\n IGH=3 ! default value; six_point is sufficient generally\n! six point\n NMAX = 3\n\n if (nr .ge. 1.7) then \n! 10 point \n IGH = 5 ! more points needed here\n NMAX = 5\n end if\n\n if ( XX .gt. 20.0 .or. XX .lt. 0.5 ) then\n IGH = 1 ! in this range fewer points are needed\n NMAX = 1\n end if\n\n if (IGH == 1) then\n! two point\n GHXI(1) = ghxi_2(1)\n GHWI(1) = ghwi_2(1)\n else if (IGH == 3) then\n do i = 1, NMAX\n GHXI(i) = ghxi_6(i)\n GHWI(i) = ghwi_6(i)\n end do \n else\n do i = 1,NMAX\n GHXI(i) = ghxi_10(i)\n GHWI(i) = ghwi_10(i)\n end do \n end if ! set up number of abscissas and weights \n\n! FSB now start the integration code\n aa1 = sqrt2 * xlnsig ! This 1.0 / Sqrt( A ) in derivation of the integral\n ! where A = 1.0 / ( 2.0 * xlnsg**2 ) \n\n! Then alpha = alfv * exp[ u / sqrt(A) ]\n! For Gauss-Hermite Quadrature u = xi \n! Therefore, xf = exp( xi / sqrt(A) ),\n! or xf = exp( xi * aa1 ) \n sum_e = 0.0\n sum_s = 0.0\n sum_sg = 0.0\n! FSB do NMAX calls to the MIE codes \n do i = 1,NMAX\n xi = GHXI(i)\n wxi = GHWI(i)\n xf = exp( xi * aa1 )\n temp = 1.0 / xf\n XXP = XX * xf\n XXM = XX * temp ! division cheaper than another exp()\n YYP = YY * xf\n YYM = YY * temp ! division cheaper than another exp()\n! *** call subroutine to fetch the effficiencies\n\n call getqsgBHCS(XXP,YYP,RCORE,RSHELL,qalfip_e,qalfip_s,gsalfp, success)\n call getqsgBHCS(XXM,YYM,RCORE,RSHELL,qalfim_e,qalfim_s,gsalfm, success)\n \n sum_e = sum_e + wxi * ( qalfip_e + qalfim_e ) \n sum_s = sum_s + wxi * ( qalfip_s + qalfim_s ) \n sum_sg = sum_sg + wxi * ( gsalfp + gsalfm ) \n end do \n\n g_GH = sum_sg / sum_s ! this is \n Qext_GH = const * sum_e ! \n Qscat_GH = const * sum_s \n\n end subroutine ghintBH_CS_even\n \n! ------------------------------------------------------------------\n subroutine getqsgBHCS (XX,YY,RRFRL1,RRFRL2,qxtalf,qscalf,qsgalf, success)\n implicit none\n\n real, intent(in) :: XX, YY\n real, intent(out) :: qxtalf, qscalf, qsgalf\n complex, intent(in) :: RRFRL1,RRFRL2 ! refractive indices Core , Shell \n logical, intent(out) :: success ! flag for successful calculation\n\n real :: QEXT, QSCA, QBACK, G_MIE\n real :: xx1\n character (len = 20) :: mystr1, mystr2, mystr3, mystr4\n\n xx1 = 1.0 / YY\n\n! if ( (xx * real(RRFRL1) >= 30.0) &\n! .or. (xx * aimag(RRFRL1) >= 30.0) &\n! .or. (yy * aimag(RRFRL2) >= 30.0)) then\n! print *, ' ==d== bhcoat error'\n! end if\n\n call BHCOAT (XX,YY,RRFRL1,RRFRL2,QEXT,QSCA,QBACK,G_MIE, SUCCESS)\n\n! write (mystr1, *) QEXT\n! write (mystr2, *) QSCA\n! write (mystr3, *) QBACK\n! write (mystr4, *) G_MIE\n\n! if ((trim(mystr1) == ' NaN') .or. &\n! (trim(mystr2) == ' NaN') .or. &\n! (trim(mystr3) == ' NaN') .or. &\n! (trim(mystr4) == ' NaN')) then\n! call BHCOAT (XX,YY,RRFRL1,RRFRL2,QEXT,QSCA,QBACK,G_MIE)\n! end if\n\n qxtalf = QEXT * xx1\n qscalf = QSCA * xx1\n qsgalf = qscalf * G_MIE \n\n END subroutine getqsgBHCS\n\n\n! ------------------------------------------------------------------\n SUBROUTINE BHCOAT (XX, YY, RRFRL1, RRFRL2, QQEXT, QQSCA, QBACK, GGSCA, SUCCESS)\n \n use complex_number_module\n\n implicit none ! added by FSB\n\n! Arguments:\n real, intent(in) :: XX,YY ! Defined below\n complex, intent(in) :: RRFRL1,RRFRL2 ! Defined below\n real, intent(out) :: QQEXT,QQSCA,QBACK ! Defined below\n real, intent(out) :: GGSCA ! asymmetry factor added by FSB\n logical,intent(out) :: success\n\n! Local variables:\n \n real*8, parameter :: DEL = 1.0D-08 \n real*8, parameter :: ONE = 1.0D0, TWO = 2.0D0 \n! complex*16, save :: II\n! data II/(0.D0,1.D0)/\n type(complex_number) :: II\n\n integer :: IFLAG,N,NSTOP\n\n character (len = 400) :: mystr\n\n! -----------------------------------------------------------\n! del is the inner sphere convergence criterion\n! -----------------------------------------------------------\n \n real*8 :: CHI0Y,CHI1Y,CHIY,PSI0Y,PSI1Y,PSIY,QEXT,RN,QSCA,X,Y,YSTOP,GSCA\n real*8 :: TWO_N_M_ONE, TWO_N_P_ONE\n real*8 :: RY, RYY, RNRY, RN1, factor\n \n! complex*16 :: AMESS1,AMESS2,AMESS3,AMESS4,AN,ANCAP,AN1, BN,BNCAP,BN1, BRACK, &\n type(complex_number) :: AMESS1,AMESS2,AMESS3,AMESS4,AN,ANCAP,AN1, BN,BNCAP,BN1, BRACK, &\n CHI0X2,CHI0Y2,CHI1X2,CHI1Y2,CHIX2,CHIPX2,CHIPY2,CHIY2,CRACK, &\n D0X1,D0X2,D0Y2,D1X1,D1X2,D1Y2,DNBAR,GNBAR, &\n REFREL,RFREL1,RFREL2, XBACK,XI0Y,XI1Y,XIY, &\n X1,X2,Y2,RCX1, RCX2,RCY2, FAC1, FAC2\n\n!***********************************************************************\n! NOTES from Prof. Bruce T. Draine, Princeton University\n! Subroutine BHCOAT calculates Q_ext, Q_sca, Q_back for coated sphere.\n! All bessel functions computed by upward recurrence.\n! Input:\n! XX = 2*PI*RCORE*REFMED/WAVEL\n! YY = 2*PI*RMANT*REFMED/WAVEL\n! RFREL1 = REFCOR/REFMED\n! RFREL2 = REFMAN/REFMED \n! where REFCOR = complex refr.index of core)\n! REFMAN = complex refr.index of mantle)\n! REFMED = real refr.index of medium)\n! RCORE = radius of core\n! RMANT = radius of mantle\n! WAVEL = wavelength of light in ambient medium\n!\n! Routine BHCOAT is taken from Bohren & Huffman (1983)\n! Obtained from C.L.Joseph\n!\n! History:\n! 92/11/24 (BTD) Explicit declaration of all variables\n! April 30,2012 (FSB) added additional code to optimize\n! run time by finding common terms and replacing multiple\n! divisions by multiplication by a reciprocal. \n! April 09, 2012 code transferred from BTD's BMHMIE to\n! calculate the asymmetry factor by Prof. Francis S. Binkowski of \n! The University of North Carolina at Chapel Hill.\n! April 30,2012 (FSB) added additional code to optimize\n! run time by finding common terms and replacing multiple\n! divisions by multiplication by a reciprocal. \n! July 16, 2010 more optimization by Dr. David Wong (DW) at US EPA\n \n! REFERENCE: \n! Bohren, Craig F. and Donald R. Huffman, Absorption and \n! Scattering of Light by Small Particles, Wiley-Interscience\n! copyright 1983. Paperback Published 1998.\n! This code was originally listed in Appendix B. pp 483-489.\n! As noted above , the original code was subsequently \n! modified by Prof. Bruce T. Draine of Princeton University.\n! \n! FSB The background for this code is discussed in Borhen & Huffman (1983)\n! on pages 181-183 ( Equations 8.2 ) and on pages 483-484. \n!***********************************************************************\n!\n! Start Code \n\n SUCCESS = .TRUE. \n\n II = c_set(0.0D0, 1.0D0)\n\n! this technique will make the second 4 byte in the 8 byte variable be 0\n! rather than arbitrary digits to increase accuracy\n write (mystr, *) xx, yy, real(RRFRL1), aimag(RRFRL1), real(RRFRL2), aimag(RRFRL2)\n read (mystr, *) x, y, RFREL1, RFREL2\n\n! X = XX\n! Y = YY\n RY = ONE / Y\n RYY = RY * RY\n! RFREL1%real_part = real(RRFRL1)\n! RFREL1%imag_part = aimag(RRFRL1)\n! RFREL2%real_part = real(RRFRL2)\n! RFREL2%imag_part = aimag(RRFRL2)\n x1 = c_mul(x, rfrel1)\n x2 = c_mul(x, rfrel2)\n y2 = c_mul(y, rfrel2)\n RCX1 = c_div(ONE, X1)\n RCX2 = c_div(ONE, X2)\n RCY2 = c_div(ONE, Y2)\n refrel = c_div(rfrel2, rfrel1)\n ystop = y + 4.0 * y**0.3333 + 2.0\n nstop = INT( ystop )\n\n! -----------------------------------------------------------\n! series terminated after nstop terms\n! -----------------------------------------------------------\n\n! initialize variables \n d0x1 = c_div(c_cos(x1), c_sin(x1))\n d0x2 = c_div(c_cos(x2), c_sin(x2))\n d0y2 = c_div(c_cos(y2), c_sin(y2))\n\n psi0y = cos(y)\n psi1y = sin(y)\n chi0y = -sin(y)\n chi1y = cos(y)\n\n xi0y = c_sub(psi0y, c_mul(chi0y, II))\n xi1y = c_sub(psi1y, c_mul(chi1y, II))\n\n chi0y2 = c_mul(-1.0d0, c_SIN(y2))\n chi1y2 = c_COS(y2)\n chi0x2 = c_mul(-1.0d0, c_SIN(x2))\n chi1x2 = c_COS(x2)\n qsca = 0.0d0\n qext = 0.0d0\n GSCA = 0.0d0\n xback = c_set(0.0d0, 0.0d0)\n iflag = 0\n factor = 1.0d0\n\n! print *, ' ==d== N ', nstop\n\n! FSB Start main loop \n DO n = 1, nstop\n rn = REAL( n, 8 )\n RN1 = ONE / RN\n TWO_N_M_ONE = TWO * RN - ONE\n TWO_N_P_ONE = TWO * RN + ONE\n psiy = (TWO_N_M_ONE)*psi1y*RY - psi0y\n chiy = (TWO_N_M_ONE)*chi1y*RY - chi0y\n xiy = c_sub(psiy, c_mul(chiy, II))\n d1y2 = c_sub(c_div(ONE, c_sub(c_mul(rn, RCY2), d0y2)), c_mul(rn, RCY2))\n\n IF (iflag .eq. 0) THEN\n! *** Calculate inner sphere ancap, bncap\n! and brack and crack\n d1x1 = c_sub(c_div(ONE, c_sub(c_mul(rn, RCX1), d0x1)), c_mul(rn, RCX1))\n d1x2 = c_sub(c_div(ONE, c_sub(c_mul(rn, RCX2), d0x2)), c_mul(rn, RCX2))\n\n chix2 = c_sub(c_mul(c_mul(TWO*rn - ONE, chi1x2), RCX2), chi0x2)\n chiy2 = c_sub(c_mul(c_mul(TWO*rn - ONE, chi1y2), RCY2), chi0y2)\n\n chipx2 = c_sub(chi1x2, c_mul(c_mul(rn, chix2), RCX2))\n chipy2 = c_sub(chi1y2, c_mul(c_mul(rn, chiy2), RCY2))\n\n! ANCAP = (REFREL*D1X1 - D1X2) / & \n! ( (REFREL*D1X1*CHIX2 - CHIPX2) * (CHIX2*D1X2 - CHIPX2) )\n\n ANCAP = c_sub(c_mul(c_mul(REFREL, D1X1), CHIX2), CHIPX2)\n ANCAP = c_mul(ANCAP, c_sub(c_mul(CHIX2, D1X2), CHIPX2))\n ANCAP = c_div(c_sub(c_mul(REFREL, D1X1), D1X2), ANCAP)\n\n brack = c_mul(ancap, c_sub(c_mul(chiy2, d1y2), chipy2))\n\n bncap = c_sub(c_mul(refrel, d1x2), d1x1)\n bncap = c_div(bncap, c_sub(c_mul(refrel, chipx2), c_mul(d1x1, chix2)))\n bncap = c_div(bncap, c_sub(c_mul(chix2, d1x2), chipx2))\n\n crack = c_mul(bncap, c_sub(c_mul(chiy2, d1y2), chipy2))\n! *** calculate convergence test expressions\n! for inner sphere.\n! *** see pages 483-485 of Bohren & Huffman for\n! definitions. \n amess1 = c_mul(brack, chipy2)\n amess2 = c_mul(brack, chiy2)\n amess3 = c_mul(crack, chipy2)\n amess4 = c_mul(crack, chiy2)\n\n! Now test for convergence for inner sphere\n! All four criteria must be satisfied. See page 484 of B & H\n IF (c_ABS(amess1) .LE. del*c_ABS(d1y2) .AND. &\n (c_ABS(amess2) .LE. del) .AND. &\n (c_ABS(amess3) .LE. del*c_ABS(d1y2)) .AND. &\n (c_ABS(amess4) .LE. del) ) THEN\n! convergence for inner sphere \n brack = c_set(0.0D0,0.0D0)\n crack = c_set(0.0D0,0.0D0)\n iflag = 1\n! ELSE\n! no convergence yet\n! iflag = 0\n END IF \n END IF ! test on iflag .eq. 0\n\n! *** note usage of brack and crack See equations on\n! Page 485 and discussion on pages 486 -487 of B & H \n dnbar = c_sub(d1y2, c_mul(brack, chipy2))\n dnbar = c_div(dnbar, c_sub(ONE, c_mul(brack, chiy2)))\n gnbar = c_sub(d1y2, c_mul(crack, chipy2))\n gnbar = c_div(gnbar, c_sub(ONE, c_mul(crack, chiy2)))\n!*** Store previous values of an and bn for use \n! in computation of g=\n IF (N .GT. 1) THEN\n AN1 = an\n BN1 = bn\n END IF \n! *** update an and bn \n RNRY = rn * RY \n FAC1 = c_add(c_div(dnbar, rfrel2), RNRY)\n\n an = c_sub(c_mul(psiy, FAC1), psi1y)\n an = c_div(an, c_sub(c_mul(FAC1, xiy), xi1y))\n FAC2 = c_add(c_mul(rfrel2, gnbar), RNRY)\n bn = c_sub(c_mul(psiy, FAC2), psi1y)\n bn = c_div(bn, c_sub(c_mul(FAC2, xiy), xi1y))\n \n! *** Calculate sums for qsca, qext, xback \n qsca = qsca + (TWO_N_P_ONE) * (c_ABS(an)**2 + c_ABS(bn)**2)\n \n qext = qext + TWO_N_P_ONE * (an%real_part + bn%real_part)\n \n! DW XBACK = XBACK + (TWO_N_P_ONE) * (-1.)**N * (AN-BN)\n FACTOR = FACTOR * (-1.0D0)\n XBACK = c_add(XBACK, c_mul(TWO_N_P_ONE * FACTOR, c_sub(AN, BN)))\n\n! FSB calculate the sum for the asymmetry factor \n\n GSCA = GSCA + ((TWO_N_P_ONE)/(RN* (RN + ONE)))* &\n (an%real_part*bn%real_part + an%imag_part*bn%imag_part)\n \n IF (n .GT. 1) THEN\n \n! DW GSCA = GSCA + ((RN - ONE) * (RN + ONE) * RN1) * &\n GSCA = GSCA + (RN - RN1) * &\n (AN1%real_part*AN%real_part + AN1%imag_part*AN%imag_part + &\n BN1%real_part*BN%real_part + BN1%imag_part*BN%imag_part)\n \n END IF\n! continue update for next interation \n psi0y = psi1y\n psi1y = psiy\n chi0y = chi1y\n chi1y = chiy\n xi1y = c_sub(psi1y, c_mul(chi1y, II))\n chi0x2 = chi1x2\n chi1x2 = chix2\n chi0y2 = chi1y2\n chi1y2 = chiy2\n d0x1 = d1x1\n d0x2 = d1x2\n d0y2 = d1y2\n END DO ! end of main loop \n \n!*** Have summed sufficient terms.\n! Now compute QQSCA,QQEXT,QBACK,and GSCA\n GGSCA = REAL( TWO * GSCA / qsca )\n QQSCA = REAL( TWO * qsca * RYY )\n QQEXT = REAL( TWO * qext * RYY )\n! QBACK = 0.5 * REAL ( ( xback * conjg(xback) ) * RYY )\n\n QBACK = 0.5 * real((xback%real_part**2 + xback%imag_part**2) * RYY)\n! QBACK = real((xback%real_part**2 + xback%imag_part**2) * RYY)\n\n! write (6, '(a19, 20e18.10)') ' ==d== bhcoat z ', GGSCA, GSCA, qsca\n! write (6, '(a19, 20e18.10)') ' ==d== bhcoat z ', QQSCA, qsca, RYY\n! write (6, '(a19, 20e18.10)') ' ==d== bhcoat z ', QQEXT, qext, RYY\n! write (6, '(a19, 20e18.10)') ' ==d== bhcoat z ', QBACK, xback, RYY\n\n end subroutine BHCOAT\n\n subroutine ghintBH_Odd (INIT, crefin,alfv,xlnsig,Qext_GH,Qscat_GH,g_gh, success ) \n\n! *************** REVISED VERSION < NOTE\n! FSB *********** This is the newest (04_14_2012) version of GhintBH\n! this version does the Mie method and calculates the optimum set of \n! set of Gauss-Hermite abscissas and weights. \n! Dr. Francis S. Binkowski, The University of North Carolina\n! at Chapel Hill\n! FSB this code file now contains all of the necessary subroutines that \n! are called to perform an integral of the Bohren and Huffman\n! Mie codes ( as updated by Prof. Bruce C. Drain of Princeton)\n! calculates the extinction and scattering coefficients \n! normalized by wavelength and total particle volume\n! concentration for a log normal particle distribution \n! with the logarithm of the geometric standard deviation\n! given by xlnsig. The integral of the\n! asymmetry factor g is also calculated.\n! FSB Change 12/20/2011 This code now has a choice of IGH based\n! upon alfv and nr. \n! FBB Changes Simplified code. Eliminated Penndorf code\n! *** Does Gauss-Hermite quadrature of Qext / alfa & Qscat / alfa\n! and asymmetry factor over log normal distribution using \n! symmetric points.\n!\n implicit none\n\n logical, intent(INOUT) :: INIT ! initialize number of qudraure points\n complex, intent(in) :: crefin ! complex index of refraction\n real, intent(in) :: alfv ! Mie parameter for dgv\n real, intent(in) :: xlnsig ! log of geometric standard deviation\n real, intent(out) :: Qext_GH ! normalized extinction efficiency\n real, intent(out) :: Qscat_GH ! normalized scattering efficiency\n real, intent(out) :: g_GH ! asymmetry factor \n logical, intent(out) :: success ! flag for successful calculation\n \n real :: nr ! real part of refractive index \n real :: aa1 ! see below for definition\n real :: alfaip, alfaim ! Mie parameters at abscissas\n \n! *** these are Qext/alfa and Qscat/alfv at the abscissas\n real :: qalfip_e, qalfim_e ! extinction \n real :: qalfip_s, qalfim_s ! scattering\n real :: gsalfp, gsalfm ! scattering times asymmetry factor\n\n! FSB define parameters \n real, parameter :: pi = 3.14159265\n real, parameter :: sqrtpi = 1.772454 \n real, parameter :: sqrtpi1 = 1.0 / sqrtpi \n real, parameter :: sqrt2 = 1.414214 \n real, parameter :: three_pi_two = 3.0 * pi / 2.0 \n real, parameter :: const = three_pi_two * sqrtpi1 \n \n integer :: i\n real :: sum_e,sum_s, xi,wxi,xf\n real :: sum_sg\n\n real, allocatable, save :: GHXI(:), GHWI(:) ! weight and abscissas\n integer, save :: IGH ! number of weights and abscissa\n integer, save :: NMAX ! optimumized number of weights and abscissa\n\n\n! start code\n! FSB now choose IGH. These choices are designed to improve\n! the computational efficiency without sacrificing accuracy.\n\n If( INIT )Then\n\n Select Case( Quadrature_Points )\n Case( 1,3,9 )\n IGH = Quadrature_Points\n Case Default\n IGH = 3\n End Select\n\n NMAX = Max( Int( IGH / 2 ), 0)\n\n If( Allocated( GHXI ) .Or. Allocated( GHWI ) )Then\n Success = .False.\n Return \n End If\n \n Allocate( GHXI( NMAX + 1 ), GHWI( NMAX + 1 ) )\n \n Select Case ( IGH ) \n Case ( 1 )\n GHXI(1) = ghxi_1(1)\n GHWI(1) = ghwi_1(1)\n Case ( 3 )\n do i = 1, NMAX + 1\n GHXI(i) = ghxi_3(i)\n GHWI(i) = ghwi_3(i)\n end do \n Case ( 9 )\n do i = 1, NMAX + 1\n GHXI(i) = ghxi_9(i)\n GHWI(i) = ghwi_9(i)\n end do \n end select \n \n If( AERO_UTIL_LOG .GT. 0 )Then\n write(AERO_UTIL_LOG,*)'BHMIE: IGH,(NMAX + 1) = ',IGH,(NMAX + 1)\n do i = 1, NMAX + 1\n write(AERO_UTIL_LOG,*)'BHMIE: i, GHXI(i), GHWI(i) = ',i, GHXI(i), GHWI(i)\n end do\n End If\n \n INIT = .False.\n Else\n If( .Not. Allocated( GHXI ) .Or. .Not. Allocated( GHWI ) )Then\n Success = .False.\n Return \n End If \n End If ! set up number of abscissas and weights \n \n nr = real(crefin) \n\n \n! FSB now start the integration code\n aa1 = sqrt2 * xlnsig ! This 1.0 / Sqrt( A ) in derivation of the integral\n ! where A = 1.0 / ( 2.0 * xlnsg**2 ) \n\n! Then alpha = alfv * exp[ u / sqrt(A) ]\n! For Gauss-Hermite Quadrature u = xi \n! Therefore, xf = exp( xi / sqrt(A) ),\n! or xf = exp( xi * aa1 ) \n\n!start integration at zero point\n xi = 0.0\n wxi = GHWI(NMAX+1)\n xf = 1.0\n alfaip = alfv\n! fetch the effficiencies at zero point\n\n call getqext_BH(alfaip,crefin,qalfip_e,qalfip_s, gsalfp, success)\n\n sum_e = wxi * qalfip_e\n sum_s = wxi * qalfip_s\n sum_sg = wxi * gsalfp\n\n! FSB do NMAX calls to the MIE codes \n do i = 1, NMAX\n xi = GHXI(i)\n wxi = GHWI(i)\n xf = exp( xi * aa1 )\n alfaip = alfv * xf\n alfaim = alfv / xf ! division cheaper than another exp()\n! *** call subroutine to fetch the effficiencies\n\n call getqext_BH(alfaip,crefin,qalfip_e,qalfip_s, gsalfp, success)\n call getqext_BH(alfaim,crefin,qalfim_e,qalfim_s, gsalfm, success)\n\n sum_e = sum_e + wxi * ( qalfip_e + qalfim_e ) \n sum_s = sum_s + wxi * ( qalfip_s + qalfim_s ) \n sum_sg = sum_sg + wxi * ( gsalfp + gsalfm ) \n\n end do\n \n\n g_GH = sum_sg / sum_s ! this is \n Qext_GH = const * sum_e ! \n Qscat_GH = const * sum_s \n\n end subroutine ghintBH_Odd\n! ------------------------------------------------------------------\n subroutine ghintBH_CS_Odd (INIT, RCORE, RSHELL , XX, YY, xlnsig, & \n Qext_GH,Qscat_GH, g_gh, success)\n\n! FSB code for coated-sphere (core-shell) version\n\n! *************** REVISED VERSION < NOTE\n! FSB *********** This is the newest (04_14_2012) version of ghintBH_CS\n! for the coated-sphere (core-shell) method using BHCOAT\n! this version does the Mie method and calculates the optimum set of \n! set of Gauss-Hermite abscissas and weights. \n! Dr. Francis S. Binkowski, The University of North Carolina\n! at Chapel Hill\n \n! FSB this code file now contains all of the necessary subroutines that \n! are called to perform an integral of the Bohren and Huffman\n! Mie codes ( as updated by Prof. Bruce C. Drain of Princeton)\n! calculates the extinction and scattering coefficients \n! normalized by wavelength and total particle volume\n! concentration for a log normal particle distribution \n! with the logarithm of the geometric standard deviation\n! given by xlnsig. The integral of the\n! asymmetry factor g is also calculated.\n! FSB Change 12/20/2011 This code now has a choice of IGH based\n! upon alfv and nr. \n! FBB Changes Simplified code. Eliminated Penndorf code\n! *** Does Gauss-Hermite quadrature of Qext / alfa & Qscat / alfa\n! and asymmetry factor over log normal distribution using \n! symmetric points.\n!\n implicit none\n\n logical, intent(inout) :: INIT ! initialize number of qudraure points\n complex, intent(in) :: RCORE ! refractive index of core\n complex, intent(in) :: RSHELL ! refractive index of shell\n real, intent(in) :: XX ! Mie parameter for core\n real, intent(in) :: YY ! Mie parameter for shell\n real, intent(in) :: xlnsig ! log of geometric standard deviation\n real, intent(out) :: Qext_GH ! normalized extinction efficiency\n real, intent(out) :: Qscat_GH ! normalized scattering efficiency\n real, intent(out) :: g_GH ! asymmetry factor \n logical, intent(out) :: success ! flag for successful calculation\n\n real :: nr ! real part of refractive index \n real :: aa1 ! see below for definition\n real :: XXP, XXM ! Mie parameters at abscissas - CORE\n real :: YYP, YYM ! Mie parameters at abscissas - SHELL\n \n! FSB define parameters \n real, parameter :: pi = 3.14159265\n real, parameter :: sqrtpi = 1.772454 \n real, parameter :: sqrtpi1 = 1.0 / sqrtpi \n real, parameter :: sqrt2 = 1.414214 \n real, parameter :: three_pi_two = 3.0 * pi / 2.0 \n real, parameter :: const = three_pi_two * sqrtpi1 \n \n! *** these are Qext/alfa and Qscat/alfv at the abscissas\n real :: qalfip_e, qalfim_e ! extinction \n real :: qalfip_s, qalfim_s ! scattering\n real :: gsalfp, gsalfm ! scattering times asymmetry factor\n integer :: i\n real :: sum_e,sum_s, xi,wxi,xf, temp\n real :: sum_sg\n\n\n real, allocatable, save :: GHXI(:), GHWI(:) ! weight and abscissas\n integer, save :: IGH ! number of weights and abscissa\n integer, save :: NMAX ! optimized number of weights and abscissa\n\n! start code\n! FSB now choose IGH. These choices are designed to improve\n! the computational efficiency without sacrificing accuracy.\n\n If( INIT )Then\n\n Select Case( Quadrature_Points )\n Case( 1,3,9 )\n IGH = Quadrature_Points\n Case Default\n IGH = 3\n End Select\n \n If( Allocated( GHXI ) .Or. Allocated( GHWI ) )Then\n Success = .False.\n Return \n End If\n\n NMAX = Max( Int( IGH / 2 ), 0)\n \n Allocate( GHXI( NMAX + 1 ), GHWI( NMAX + 1 ) )\n\n Select Case ( IGH ) \n Case ( 1 )\n GHXI(1) = ghxi_1(1)\n GHWI(1) = ghwi_1(1)\n Case ( 3 )\n do i = 1, NMAX + 1\n GHXI(i) = ghxi_3(i)\n GHWI(i) = ghwi_3(i)\n end do \n Case ( 9 )\n do i = 1, NMAX + 1\n GHXI(i) = ghxi_9(i)\n GHWI(i) = ghwi_9(i)\n end do \n end select \n\n If( AERO_UTIL_LOG .GT. 0 )Then\n write(AERO_UTIL_LOG,*)'BHCoat: IGH,(NMAX + 1) = ',IGH,(NMAX + 1)\n do i = 1, NMAX + 1\n write(AERO_UTIL_LOG,*)'BHCoat: i, GHXI(i), GHWI(i) = ',i, GHXI(i), GHWI(i)\n end do\n End If\n \n INIT = .False.\n \n Else\n If( .Not. Allocated( GHXI ) .Or. .Not. Allocated( GHWI ) )Then\n Success = .False.\n Return \n End If \n End If ! set up number of abscissas and weights \n\n nr = real(RSHELL) \n\n! FSB now start the integration code\n aa1 = sqrt2 * xlnsig ! This 1.0 / Sqrt( A ) in derivation of the integral\n ! where A = 1.0 / ( 2.0 * xlnsg**2 ) \n\n! Then alpha = alfv * exp[ u / sqrt(A) ]\n! For Gauss-Hermite Quadrature u = xi \n! Therefore, xf = exp( xi / sqrt(A) ),\n! or xf = exp( xi * aa1 ) \n\n!start integration at zero point\n\n xi = 0.0\n wxi = GHWI(NMAX+1)\n xf = 1.0\n XXP = XX\n YYP = YY\n\n! fetch the effficiencies at zero point\n\n call getqsgBHCS(XXP,YYP,RCORE,RSHELL,qalfip_e,qalfip_s,gsalfp, success)\n \n sum_e = wxi * qalfip_e\n sum_s = wxi * qalfip_s\n sum_sg = wxi * gsalfp \n\n! FSB do NMAX calls to the MIE codes \n do i = 1, NMAX\n xi = GHXI(i)\n wxi = GHWI(i)\n xf = exp( xi * aa1 )\n temp = 1.0 / xf\n XXP = XX * xf\n XXM = XX * temp ! division cheaper than another exp()\n YYP = YY * xf\n YYM = YY * temp ! division cheaper than another exp()\n! *** call subroutine to fetch the effficiencies\n\n call getqsgBHCS(XXP,YYP,RCORE,RSHELL,qalfip_e,qalfip_s,gsalfp, success)\n call getqsgBHCS(XXM,YYM,RCORE,RSHELL,qalfim_e,qalfim_s,gsalfm, success)\n \n sum_e = sum_e + wxi * ( qalfip_e + qalfim_e ) \n sum_s = sum_s + wxi * ( qalfip_s + qalfim_s ) \n sum_sg = sum_sg + wxi * ( gsalfp + gsalfm ) \n end do \n\n g_GH = sum_sg / sum_s ! this is \n Qext_GH = const * sum_e ! \n Qscat_GH = const * sum_s \n\n\n end subroutine ghintBH_CS_Odd \n \n\n! ------------------------------------------------------------------\n SUBROUTINE BHMIE_FLEXI (X, NMX, NSTOP, REFREL, QQEXT, QQSCA, QBACK, GSCA, SUCCESS)\n\n! FSB Changed the call vector to return only QEXT, QSCAT QBACK GSCA\n! and ignore NANG, S1 and S2 and all calculations for them\n\n implicit none \n\n! Arguments:\n real, intent(in) :: X ! X = pi*particle_diameter / Wavelength\n integer, intent(in) :: NMX ! maximum number of terms in Mie series \n integer, intent(in) :: NSTOP ! minumum number of terms in Mie series \n complex, intent(in) :: REFREL ! refractive index\n\n! REFREL = (complex refr. index of sphere)/(real index of medium)\n! in the current use the index of refraction of the the medium\n! i taken at 1.0 real.\n!\n! Output\n\n real, intent(out) :: QQEXT, QQSCA, QBACK, GSCA\n logical, intent(out) :: SUCCESS\n\n! QQEXT Efficiency factor for extinction\n! QQSCA Efficiency factor for scattering\n! QQBACK Efficiency factor for back scatter\n! GSCA asymmetry factor \n! SUCCESS flag for successful calculation\n! REFERENCE: \n! Bohren, Craig F. and Donald R. Huffman, Absorption and \n! Scattering of Light by Small Particles, Wiley-Interscience\n! copyright 1983. Paperback Published 1998.\n! FSB\n! This code was originally listed in Appendix A. pp 477-482.\n! As noted below, the original code was subsequently \n! modified by Prof. Bruce T. Drain of Princetion University.\n! The code was further modified for a specific application\n! in a large three-dimensional code requiring as much \n! computational efficiency as possible. \n! Prof. Francis S. Binkowski of The University of North\n! Carolina at Chapel Hill. \n\n! Declare parameters:\n! Note: important that MXNANG be consistent with dimension of S1 and S2\n! in calling routine!\n\n integer, parameter :: MXNANG=10, NMXX=150000 ! FSB new limits\n integer, parameter :: NANG = 2\n real*8, parameter :: PII = 3.1415916536D0\n real*8, parameter :: ONE = 1.0D0, TWO = 2.0D0\n complex*16, parameter :: COMPLEX_DZERO = (0.0D0,0.0D0)\n complex, parameter :: COMPLEX_ZERO = (0.0,0.0)\n\n! Local variables:\n integer :: N, NN\n real*8 :: QSCA, QEXT, DX1, DXX1 \n real*8 :: CHI,CHI0,CHI1,DX,EN,P,PSI,PSI0,PSI1,XSTOP,YMOD \n real*8 :: TWO_N_M_ONE, TWO_N_P_ONE, EN1, FACTOR\n complex*16 :: AN,AN1,BN,BN1,DREFRL,XI,XI1,Y, Y1, DREFRL1\n complex*16 :: D(NMX)\n complex*16 :: FAC1, FAC2\n complex*16 :: XBACK\n\n!***********************************************************************\n! Subroutine BHMIE is the Bohren-Huffman Mie scattering subroutine\n! to calculate scattering and absorption by a homogenous isotropic\n! sphere.\n! Given:\n! X = 2*pi*a/lambda\n! REFREL = (complex refr. index of sphere)/(real index of medium)\n! real refractive index of medium taken as 1.0 \n! Returns:\n! QEXT = efficiency factor for extinction\n! QSCA = efficiency factor for scattering\n! QBACK = efficiency factor for backscatter\n! see Bohren & Huffman 1983 p. 122\n! GSCA = asymmetry for scattering\n!\n! Original program taken from Bohren and Huffman (1983), Appendix A\n! Modified by Prof. Bruce T.Draine, Princeton Univ. Obs., 90/10/26\n! in order to compute \n! 91/05/07 (BTD): Modified to allow NANG=1\n! 91/08/15 (BTD): Corrected error (failure to initialize P)\n! 91/08/15 (BTD): Modified to enhance vectorizability.\n! 91/08/15 (BTD): Modified to make NANG=2 if called with NANG=1\n! 91/08/15 (BTD): Changed definition of QBACK.\n! 92/01/08 (BTD): Converted to full double precision and double complex\n! eliminated 2 unneed lines of code\n! eliminated redundant variables (e.g. APSI,APSI0)\n! renamed RN -> EN = double precision N\n! Note that DOUBLE COMPLEX and DCMPLX are not part\n! of f77 standard, so this version may not be fully\n! portable. In event that portable version is\n! needed, use src/bhmie_f77.f\n! 93/06/01 (BTD): Changed AMAX1 to generic function MAX\n! FSB April 09,2012 This code was modified by: \n! Prof. Francis S. Binkowski University of North Carolina at\n! Chapel Hill, Institue for the Environment.\n!\n! The modifications were made to enhance computation speed \n! for use in a three-dimensional code. This was done by\n! removing code that calculated angular scattering. The method\n! of calculating QEXT, QBACK was also changed. \n \n!***********************************************************************\n!*** Safety checks\n\n SUCCESS = .TRUE.\n! NANG = 2 ! FSB only this value \n! IF(NANG.GT.MXNANG)STOP'***Error: NANG > MXNANG in bhmie'\n! IF (NANG .LT. 2) NANG = 2\n\n DX = REAL( X, 8 )\n! FSB Define reciprocals so that divisions can be replaced by multiplications. \n DX1 = ONE / DX\n DXX1 = DX1 * DX1\n DREFRL = DCMPLX( REAL( REFREL ), IMAG( REFREL ) )\n DREFRL1 = ONE / DREFRL\n Y = DX * DREFRL\n Y1 = ONE / Y\n! YMOD = ABS(Y)\n \n!*** Series expansion terminated after NSTOP terms\n! Logarithmic derivatives calculated from NMX on down\n! XSTOP = X + 4.0 * X**0.3333 + 2.0\n! NMX = MAX(XSTOP,YMOD) + 15\n\n! BTD experiment 91/1/15: add one more term to series and compare results\n! NMX=AMAX1(XSTOP,YMOD)+16\n! test: compute 7001 wavelengths between .0001 and 1000 micron\n! for a=1.0micron SiC grain. When NMX increased by 1, only a single\n! computed number changed (out of 4*7001) and it only changed by 1/8387\n! conclusion: we are indeed retaining enough terms in series!\n\n FACTOR = 1.0D0\n \n! IF (NMX .GT. NMXX) THEN\n! WRITE(6,*)'Error: NMX > NMXX=',NMXX,' for |m|x=',YMOD\n! SUCCESS = .FALSE.\n! RETURN\n! END IF\n\n! FSB all code relating to scattering angles is removed out for\n! reasons of efficiency when running in a three-dimensional \n! code. We only need QQSCA, QQEXT, GSCA AND QBACK\n\n \n!*** Logarithmic derivative D(J) calculated by downward recurrence\n! beginning with initial value (0.,0.) \n \n D(NMX) = COMPLEX_DZERO\n NN = NMX - 1\n DO N = 1,NN\n EN = REAL( NMX - N + 1, 8 )\n! FSB In the following division by Y has been replaced by \n! multiplication by Y1, the reciprocal of Y. \n D(NMX-N) = ( EN * Y1 ) - (ONE / ( D(NMX-N+1) + EN * Y1)) \n END DO\n \n!*** Riccati-Bessel functions with real argument X\n! calculated by upward recurrence\n \n PSI0 = COS(DX)\n PSI1 = SIN(DX)\n CHI0 = -SIN(DX)\n CHI1 = PSI0\n XI1 = DCMPLX(PSI1,-CHI1)\n QSCA = 0.0D0\n GSCA = 0.0D0\n QEXT = 0.0D0\n P = -ONE\n XBACK = COMPLEX_DZERO\n\n! FSB Start main loop \n DO N = 1,NSTOP\n EN = REAL( N, 8 )\n EN1 = ONE / EN\n TWO_N_M_ONE = TWO * EN - ONE\n! for given N, PSI = psi_n CHI = chi_n\n! PSI1 = psi_{n-1} CHI1 = chi_{n-1}\n! PSI0 = psi_{n-2} CHI0 = chi_{n-2}\n! Calculate psi_n and chi_n\n PSI = TWO_N_M_ONE * PSI1 * DX1 - PSI0\n CHI = TWO_N_M_ONE * CHI1 * DX1 - CHI0\n XI = DCMPLX(PSI,-CHI)\n \n!*** Compute AN and BN:\n! FSB Rearrange to get common terms\n FAC1 = D(N) * DREFRL1 + EN * DX1 \n AN = (FAC1) * PSI - PSI1\n AN = AN / ( (FAC1 )* XI - XI1 )\n FAC2 = ( DREFRL * D(N) + EN * DX1)\n BN = ( FAC2) * PSI -PSI1\n BN = BN / ((FAC2) * XI - XI1 )\n\n! FSB calculate sum for QEXT as done by Wiscombe\n! get common factor\n TWO_N_P_ONE = (TWO * EN + ONE)\n QEXT = QEXT + (TWO_N_P_ONE) * (REAL(AN) + REAL(BN) ) \n QSCA = QSCA + (TWO_N_P_ONE) * ( ABS(AN)**2 + ABS(BN)**2 )\n \n! FSB calculate XBACK from B & H Page 122 \n FACTOR = -1.0d0 * FACTOR ! calculate (-1.0 ** N)\n XBACK = XBACK + (TWO_N_P_ONE) * factor * (AN - BN)\n \n! FSB calculate asymmetry factor \n \n GSCA = GSCA + REAL((TWO_N_P_ONE)/(EN * (EN + ONE)) * &\n (REAL(AN)*REAL(BN)+IMAG(AN)*IMAG(BN)))\n\n IF (N .GT. 1)THEN\n GSCA = GSCA + REAL((EN - EN1) * &\n (REAL(AN1)*REAL(AN) + IMAG(AN1)*IMAG(AN) + &\n REAL(BN1)*REAL(BN) + IMAG(BN1)*IMAG(BN)))\n ENDIF\n\n!*** Store previous values of AN and BN for use in computation of g=\n AN1 = AN\n BN1 = BN\n\n! FSB set up for next iteration\n PSI0 = PSI1\n PSI1 = PSI\n CHI0 = CHI1\n CHI1 = CHI\n XI1 = DCMPLX(PSI1,-CHI1)\n\n END DO ! main loop on n\n \n!*** Have summed sufficient terms.\n\n! Now compute QQSCA,QQEXT,QBACK,and GSCA\n GSCA = REAL( TWO / QSCA ) * GSCA\n\n! FSB in the following, divisions by DX * DX has been replaced by\n! multiplication by DXX1 the reciprocal of 1.0 / (DX *DX) \n QQSCA = REAL( TWO * QSCA * DXX1 )\n QQEXT = REAL( TWO * QEXT * DXX1 )\n QBACK = REAL( REAL( 0.5D0 * XBACK * CONJG(XBACK), 8 ) * DXX1 ) ! B&H Page 122\n\n END subroutine BHMIE_FLEXI\n\n\nEND MODULE cmaq_rrtmg_aero_optical_util_module\n" }, { "path": "CCTM/src/twoway/twoway_sd_time_series.F90", "content": "!===============================================================================\n! Purpose: To capture the variation of CGRID in a pre-defined sub domain\n!\n! Revised: May 2010 Original version. David Wong\n! 31 Jan 2019 (David Wong)\n! -- adopted the idea to process all twoway related environment\n! variables in one place\n! 01 Aug 2019 (David Wong)\n! -- removed interface block for get_envlist\n!===============================================================================\n\nmodule sd_time_series_module\n\n implicit none\n\n integer :: n_sd_spcs, sd_scol, sd_ecol, sd_srow, sd_erow\n character (len = 16), allocatable :: sd_spcs(:)\n integer, allocatable :: sd_spcs_index(:)\n real, allocatable :: sd_ts_data(:,:,:,:)\n\n contains\n\n! --------------------------------------------------------------------------------\n subroutine sd_time_series_init (in_logdev, tstep)\n\n use hgrd_defn, only : mype\n use get_env_module\n\n use utilio_defn\n! include 'PARMS3.EXT'\n! include 'FDESC3.EXT'\n! include 'IODECL3.EXT'\n include SUBST_FILES_ID ! I/O definitions and declarations\n\n integer, intent(in) :: in_logdev, tstep\n\n character (len = 80), allocatable :: temp(:,:)\n integer :: stat, n\n! integer, external :: index1\n\n character (len = 16), parameter :: pname = 'sd_time_series_i'\n\n if ( .not. desc3( ctm_conc_1 ) ) then\n write (in_logdev, '(a14, a16, a17)') 'Could not get ', CTM_CONC_1, ' file description'\n stop\n end if\n\n allocate (sd_spcs(nvars3d), stat=stat)\n\n call get_envlist ('SD_CONC_SPCS', n_sd_spcs, sd_spcs)\n\n allocate (sd_spcs_index(n_sd_spcs), temp(n_sd_spcs,3), stat=stat)\n\n do n = 1, n_sd_spcs\n sd_spcs_index(n) = index1 (sd_spcs(n), nvars3d, vname3d)\n end do\n\n nvars3d = n_sd_spcs\n ncols3d = sd_ecol - sd_scol + 1\n nrows3d = sd_erow - sd_srow + 1\n\n do n = 1, n_sd_spcs\n temp(n,1)(1:16) = vname3d(sd_spcs_index(n))\n temp(n,2)(1:16) = units3d(sd_spcs_index(n))\n temp(n,3) = vdesc3d(sd_spcs_index(n))\n end do\n do n = 1, n_sd_spcs\n vname3d(n) = temp(n,1)(1:16)\n units3d(n) = temp(n,2)(1:16)\n vdesc3d(n) = temp(n,3)\n end do\n\n xorig3d = xorig3d + (sd_scol - 1) * xcell3d\n yorig3d = yorig3d + (sd_srow - 1) * ycell3d\n\n tstep3d = tstep\n\n if (mype .eq. 0) then\n if ( .not. open3 (ctm_sd_ts, FSRDWR3, pname) ) then\n write (in_logdev, '(a30, a16, a11)') ' Warning: Could not open file ', ctm_sd_ts, ' for update'\n if ( .not. open3 (ctm_sd_ts, FSNEW3, pname) ) then\n write (in_logdev, '(a30, a16)') ' Warning: Could not open file ', ctm_sd_ts\n end if\n end if\n end if\n\n allocate (sd_ts_data(ncols3d, nrows3d, nlays3d, nvars3d), stat=stat)\n\n deallocate (temp)\n\n end subroutine sd_time_series_init\n\n! --------------------------------------------------------------------------------\n subroutine sd_ts_data_ext (cgrid, sd_ts_data, send_to, send_index, &\n recv_from, recv_index, n_recv, loc_n_sd_spcs, & \n var_index, jtime, mype)\n\n include 'mpif.h'\n\n real, pointer, intent(in) :: cgrid(:,:,:,:)\n real, intent(out) :: sd_ts_data(:,:,:,:)\n integer, intent(in) :: send_to, send_index(:,:), recv_from(:), &\n recv_index(:,:,:), n_recv, loc_n_sd_spcs, &\n var_index(:), jtime, mype\n\n real, allocatable, save :: sdata(:,:,:,:)\n integer :: stat, n, data_size, tag, status(MPI_STATUS_SIZE), s_index, e_index\n\n if (.not. allocated(sdata)) then\n allocate(sdata(send_index(2,1)-send_index(1,1)+1, &\n send_index(2,2)-send_index(1,2)+1, &\n size(sd_ts_data,3), loc_n_sd_spcs), &\n stat=stat)\n end if\n\n if (send_to >= 0) then\n do n = 1, loc_n_sd_spcs\n sdata(:,:,:,n) = cgrid(send_index(1,1):send_index(2,1), send_index(1,2):send_index(2,2),:,var_index(n))\n end do\n end if\n\n if (mype .eq. 0) then\n \n if (send_to >= 0) then\n s_index = 2\n sd_ts_data(recv_index(1,1,1):recv_index(2,1,1), recv_index(1,2,1):recv_index(2,2,1),:,:) = sdata\n else\n s_index = 1\n end if\n e_index = n_recv\n\n do n = s_index, e_index\n tag = jtime * 1000 + recv_from(n)\n data_size = (recv_index(2,1,n) - recv_index(1,1,n) + 1) * &\n (recv_index(2,2,n) - recv_index(1,2,n) + 1) * &\n size(sd_ts_data,3) * loc_n_sd_spcs\n\n\n call mpi_recv(sd_ts_data(recv_index(1,1,n):recv_index(2,1,n), &\n recv_index(1,2,n):recv_index(2,2,n),:,:), &\n data_size, mpi_real, recv_from(n), tag, &\n mpi_comm_world, status, stat)\n end do\n else\n if (send_to >= 0) then\n data_size = size(sdata)\n tag = jtime * 1000 + mype\n call mpi_send (sdata, data_size, mpi_real, send_to, tag, mpi_comm_world, stat)\n end if\n end if\n\n end subroutine sd_ts_data_ext\n\n! ------------------------------------------------------------------------------\n subroutine output_sd_time_series (cgrid, jdate, jtime)\n\n use HGRD_DEFN\n\n use utilio_defn\n! include 'PARMS3.EXT'\n! include 'FDESC3.EXT'\n! include 'IODECL3.EXT'\n include SUBST_FILES_ID ! I/O definitions and declarations\n\n real, pointer :: cgrid(:,:,:,:)\n integer, intent(in) :: jdate, jtime\n\n character (len = 16), parameter :: pname = 'output_sd_time_s'\n integer :: stat, n\n integer, save :: send_to, n_recv, send_index(2,2)\n logical, save :: firstime = .true.\n character (len = 80) :: xmsg\n integer, allocatable, save :: recv_from(:), recv_index(:,:,:)\n logical :: x_intercepted, y_intercepted \n\n if (firstime) then\n allocate (recv_from(nprow*npcol), recv_index(2,2,nprow*npcol), stat=stat)\n\n allocate (sd_ts_data(ncols3d, nrows3d, nlays3d, nvars3d), stat=stat)\n\n send_to = -1\n recv_from = -1\n n_recv = 0\n do n = 1, NPCOL*NPROW\n\n x_intercepted = (( ((sd_scol <= colsx_pe(1,n)) .and. (colsx_pe(1,n) <= sd_ecol)) .or. &\n ((sd_scol <= colsx_pe(2,n)) .and. (colsx_pe(2,n) <= sd_ecol)) ) .or. &\n ( ((colsx_pe(1,n) <= sd_scol) .and. (sd_scol <= colsx_pe(2,n))) .or. &\n ((colsx_pe(1,n) <= sd_ecol) .and. (sd_ecol <= colsx_pe(2,n))) ))\n y_intercepted = (( ((sd_srow <= rowsx_pe(1,n)) .and. (rowsx_pe(1,n) <= sd_erow)) .or. &\n ((sd_srow <= rowsx_pe(2,n)) .and. (rowsx_pe(2,n) <= sd_erow)) ) .or. &\n ( ((rowsx_pe(1,n) <= sd_srow) .and. (sd_srow <= rowsx_pe(2,n))) .or. &\n ((rowsx_pe(1,n) <= sd_erow) .and. (sd_erow <= rowsx_pe(2,n))) ))\n\n if (x_intercepted .and. y_intercepted) then\n\n n_recv = n_recv + 1\n recv_from(n_recv) = n - 1\n if (n .eq. mype + 1) then\n send_to = 0\n send_index(1,1) = max(sd_scol, colsx_pe(1,n)) - colsx_pe(1,n) + 1\n send_index(2,1) = min(sd_ecol, colsx_pe(2,n)) - colsx_pe(1,n) + 1\n send_index(1,2) = max(sd_srow, rowsx_pe(1,n)) - rowsx_pe(1,n) + 1\n send_index(2,2) = min(sd_erow, rowsx_pe(2,n)) - rowsx_pe(1,n) + 1\n end if\n\n recv_index(1,1,n_recv) = max(sd_scol, colsx_pe(1,n)) - sd_scol + 1\n recv_index(2,1,n_recv) = min(sd_ecol, colsx_pe(2,n)) - sd_scol + 1\n recv_index(1,2,n_recv) = max(sd_srow, rowsx_pe(1,n)) - sd_srow + 1\n recv_index(2,2,n_recv) = min(sd_erow, rowsx_pe(2,n)) - sd_srow + 1\n end if\n end do\n\n firstime = .false.\n\n end if\n\n call sd_ts_data_ext (cgrid, sd_ts_data, send_to, send_index, &\n recv_from, recv_index, n_recv, n_sd_spcs, &\n sd_spcs_index, jtime, mype)\n\n if (mype .eq. 0) then\n if (.not. write3(ctm_sd_ts, allvar3, jdate, jtime, sd_ts_data)) then\n xmsg = 'Could not write to ' // ctm_sd_ts\n call m3exit(pname, jdate, jtime, xmsg, stat)\n end if\n end if\n\n end subroutine output_sd_time_series\n\nend module sd_time_series_module\n" }, { "path": "CCTM/src/twoway/twoway_util_module.F90", "content": "!===============================================================================\n! Purpose: Various utility programs to faciliate the twoway model implementation\n! Revised: 11 Apr 2007 Original version. (David Wong)\n! 11 Jan 2016 David wong\n! -- increased the string length of griddesc_fname to 500 in routine\n! setup_griddesc_file to accommondate long path name\n! 31 Jan 2019 (David Wong)\n! -- adopted the idea to process all twoway related environment\n! variables in one place\n! 30 Jun 2021 (David Wong)\n! -- replaced 3i4 with 3i6 in the format statement 16 in subroutine \n! setup_griddesc_file to handle ncols or nrow up to 99999\n!===============================================================================\n\n module twoway_util_module\n\n implicit none\n\n contains\n\n SUBROUTINE aq_set_ioapi_header (file_type, ncols, nrows)\n\n USE twoway_header_data_module\n\n use utilio_defn\n! INCLUDE 'PARMS3.EXT'\n! INCLUDE 'FDESC3.EXT'\n\n IMPLICIT NONE\n\n CHARACTER (LEN = 1), INTENT(IN) :: file_type\n INTEGER, INTENT(IN) :: ncols, nrows\n\n ncols3d = ncols\n nrows3d = nrows\n\n if (file_type .eq. 'C') then\n! ncols3d = ioapi_header%ncols\n! nrows3d = ioapi_header%nrows\n xorig3d = ioapi_header%xorig\n yorig3d = ioapi_header%yorig\n else if (file_type .eq. 'D') then\n! ncols3d = ioapi_header%ncols + 1\n! nrows3d = ioapi_header%nrows + 1\n xorig3d = ioapi_header%xorig - ioapi_header%xcell / 2.0\n yorig3d = ioapi_header%yorig - ioapi_header%ycell / 2.0\n end if\n\n xcent3d = ioapi_header%xcent\n ycent3d = ioapi_header%ycent\n\n sdate3d = ioapi_header%sdate\n stime3d = ioapi_header%stime\n\n gdtyp3d = ioapi_header%gdtyp\n p_alp3d = ioapi_header%p_alp\n p_bet3d = ioapi_header%p_bet\n p_gam3d = ioapi_header%p_gam\n\n xcell3d = ioapi_header%xcell\n ycell3d = ioapi_header%ycell\n\n vgtyp3d = ioapi_header%vgtyp\n\n vgtop3d = ioapi_header%vgtop\n\n vglvs3d = ioapi_header%vglvs\n\n gdnam3d = ioapi_header%gdnam\n\n gdnam3d = ioapi_header%grid_name\n\n nthik3d = 1\n ftype3d = 1\n\n END SUBROUTINE aq_set_ioapi_header\n\n!-------------------------------------------------------------------------------\n SUBROUTINE setup_griddesc_file (g_ncols, g_nrows)\n\n USE twoway_header_data_module\n USE twoway_data_module, only : griddesc_fname, grid_name_str\n\n integer, intent(in) :: g_ncols, g_nrows\n\n character (len = 100) :: buffer, myfmt\n character (len = 4) :: projection_type\n\n open (unit = 10, file = griddesc_fname, status = 'unknown')\n write (10, 11) \"' '\"\n 11 format (a3)\n if (ioapi_header%gdtyp .eq. 2) then\n projection_type = 'LAM_'\n else if (ioapi_header%gdtyp .eq. 6) then\n projection_type = 'POL_'\n end if\n\n if (ioapi_header%xcent .lt. 0.0) then\n write (buffer, 12) \"'\", projection_type, int(ioapi_header%ycent), 'N', int(ioapi_header%xcent*-1), \"W'\"\n else\n write (buffer, 12) \"'\", projection_type, int(ioapi_header%ycent), 'N', int(ioapi_header%xcent), \"E'\"\n end if\n 12 format (a1, a4, i3.3, a1, i3.3, a2)\n write (10, 13) buffer\n 13 format (a14)\n write (10, 14) ioapi_header%gdtyp, ioapi_header%p_alp, ioapi_header%p_bet, ioapi_header%p_gam, &\n ioapi_header%xcent, ioapi_header%ycent\n 14 format (i2, 5f14.3)\n write (10, 11) \"' '\"\n write (myfmt, 15) '(a1, a', len(trim(grid_name_str)), ', a1)'\n 15 format (a6, i2.2, a5)\n write (10, myfmt) \"'\", trim(grid_name_str), \"'\"\n write (10, 16) buffer, ioapi_header%xorig, ioapi_header%yorig, ioapi_header%xcell, ioapi_header%ycell, &\n g_ncols, g_nrows, ioapi_header%nthik\n! write (10, 16) buffer, ioapi_header%xorig, ioapi_header%yorig, ioapi_header%xcell, ioapi_header%ycell, &\n! ioapi_header%nrows, ioapi_header%ncols, ioapi_header%nthik\n 16 format (a14, 4f14.3, 3i6)\n write (10, 11) \"' '\"\n close (10)\n\n ioapi_header%grid_name = grid_name_str\n\n END SUBROUTINE setup_griddesc_file\n\n! --------------------------------------------------------------------------------\n subroutine compute_decomp (dim, npe1, npe2, domain_type, orientation, domain_map, delta)\n\n implicit none\n\n integer, intent(in) :: dim, npe1, npe2\n character (len = 4), intent(in) :: domain_type\n character (len = 1), intent(in) :: orientation\n integer, intent(out) :: domain_map(:,:)\n integer, intent(in), optional :: delta\n\n integer :: quotient, remainder, stat, i, j, pe, loc_delta\n integer, allocatable :: loc_decomp_map(:,:)\n character (len = 1) :: loc_orientation\n\n if (present(delta)) then\n loc_delta = delta\n else\n loc_delta = 0\n end if\n\n quotient = dim / npe1\n remainder = mod(dim, npe1)\n\n allocate (loc_decomp_map(3, npe1), stat=stat)\n if (stat .ne. 0) then\n print *, ' Error: Allocating loc_decomp_map'\n stop\n end if\n\n loc_decomp_map(3, :) = quotient\n\n if (remainder .gt. 0) then\n if (domain_type .eq. 'wrf') then\n do i = 1, (remainder - 1) / 2 + 1\n loc_decomp_map(3, i) = loc_decomp_map(3, i) + 1\n end do\n do i = npe1, npe1 - remainder / 2 + 1, -1\n loc_decomp_map(3, i) = loc_decomp_map(3, i) + 1\n end do\n else\n do i = 1, remainder\n loc_decomp_map(3, i) = loc_decomp_map(3, i) + 1\n end do\n end if\n end if\n\n do i = 1, npe1\n if (i .eq. 1) then\n loc_decomp_map(1, i) = 1 + loc_delta\n else\n loc_decomp_map(1, i) = loc_decomp_map(2, i-1) + 1\n end if\n loc_decomp_map(2, i) = loc_decomp_map(1, i) + loc_decomp_map(3, i) - 1\n end do\n\n if (domain_type .eq. 'wrf') then\n loc_orientation = orientation\n else\n if (orientation .eq. 'c') then\n loc_orientation = 'r'\n else\n loc_orientation = 'c'\n end if\n end if\n\n if (loc_orientation .eq. 'c') then\n pe = 1\n do i = 1, npe1\n do j = 1, npe2\n domain_map(:,pe+j-1) = loc_decomp_map(:,i)\n end do\n pe = pe + npe2\n end do\n else\n pe = 1\n do i = 1, npe1\n do j = 1, npe2\n domain_map(:,pe+(j-1)*npe1) = loc_decomp_map(:,i)\n end do\n pe = pe + 1\n end do\n end if\n\n deallocate (loc_decomp_map)\n\n end subroutine compute_decomp\n\n! --------------------------------------------------------------------------------\n subroutine compute_comm_indices (nprocs, source_domain_map, dest_domain_map, &\n send_to, recv_from, &\n send_index_g, send_index_l, &\n recv_index_g, recv_index_l )\n\n implicit none\n\n integer, intent(in) :: nprocs\n integer, intent(in) :: source_domain_map (3, 2, 0:nprocs-1)\n integer, intent(in) :: dest_domain_map (3, 2, 0:nprocs-1)\n integer, intent(out) :: send_to (0:,0:), recv_from (0:,0:)\n integer, intent(out) :: send_index_g (:,:,0:), recv_index_g (:,:,0:)\n integer, intent(out) :: send_index_l (:,:,0:), recv_index_l (:,:,0:)\n\n integer :: i, j, k, wrf_pe, cmaq_pe, x_s, x_e, y_s, y_e\n logical :: x_intercept, y_intercept\n\n send_to = -1\n recv_from = -1\n send_to(0,:) = 0\n recv_from(0,:) = 0\n\n send_index_g = -1\n send_index_l = -1\n recv_index_g = -1\n recv_index_l = -1\n\n do wrf_pe = 0, nprocs-1\n i = 0\n do cmaq_pe = 0, nprocs-1\n x_s = max(source_domain_map(1,1,wrf_pe), dest_domain_map(1,1,cmaq_pe))\n x_e = min(source_domain_map(2,1,wrf_pe), dest_domain_map(2,1,cmaq_pe))\n x_intercept = ( ((dest_domain_map(1,1,cmaq_pe) .le. x_s) .and. (x_s .le. dest_domain_map(2,1,cmaq_pe))) &\n .and. &\n ((dest_domain_map(1,1,cmaq_pe) .le. x_e) .and. (x_e .le. dest_domain_map(2,1,cmaq_pe))) )\n\n y_s = max(source_domain_map(1,2,wrf_pe), dest_domain_map(1,2,cmaq_pe))\n y_e = min(source_domain_map(2,2,wrf_pe), dest_domain_map(2,2,cmaq_pe))\n y_intercept = ( ((dest_domain_map(1,2,cmaq_pe) .le. y_s) .and. (y_s .le. dest_domain_map(2,2,cmaq_pe))) &\n .and. &\n ((dest_domain_map(1,2,cmaq_pe) .le. y_e) .and. (y_e .le. dest_domain_map(2,2,cmaq_pe))) )\n\n if (x_intercept .and. y_intercept) then\n i = i + 1 ! count number of current wrf_pe intercept with cmaq_pe\n send_to(0, wrf_pe) = i\n send_to(i, wrf_pe) = cmaq_pe\n recv_from(0, cmaq_pe) = recv_from(0, cmaq_pe) + 1\n recv_from(recv_from(0, cmaq_pe), cmaq_pe) = wrf_pe\n j = (i - 1) * 3 + 1\n send_index_g(j, 1, wrf_pe) = x_s\n send_index_g(j+1, 1, wrf_pe) = x_e\n send_index_g(j+2, 1, wrf_pe) = x_e - x_s + 1\n send_index_g(j, 2, wrf_pe) = y_s\n send_index_g(j+1, 2, wrf_pe) = y_e\n send_index_g(j+2, 2, wrf_pe) = y_e - y_s + 1\n\n send_index_l(j, 1, wrf_pe) = x_s - source_domain_map(1, 1, wrf_pe) + 1\n send_index_l(j+1, 1, wrf_pe) = x_e - source_domain_map(1, 1, wrf_pe) + 1\n send_index_l(j+2, 1, wrf_pe) = x_e - x_s + 1\n send_index_l(j, 2, wrf_pe) = y_s - source_domain_map(1, 2, wrf_pe) + 1\n send_index_l(j+1, 2, wrf_pe) = y_e - source_domain_map(1, 2, wrf_pe) + 1\n send_index_l(j+2, 2, wrf_pe ) = y_e - y_s + 1\n\n k = (recv_from(0, cmaq_pe) - 1) * 3 + 1\n recv_index_g(k, 1, cmaq_pe) = x_s\n recv_index_g(k+1, 1, cmaq_pe) = x_e\n recv_index_g(k+2, 1, cmaq_pe) = x_e - x_s + 1\n recv_index_g(k, 2, cmaq_pe) = y_s\n recv_index_g(k+1, 2, cmaq_pe) = y_e\n recv_index_g(k+2, 2, cmaq_pe) = y_e - y_s + 1\n\n recv_index_l(k, 1, cmaq_pe) = x_s - dest_domain_map(1,1,cmaq_pe) + 1\n recv_index_l(k+1, 1, cmaq_pe) = x_e - dest_domain_map(1,1,cmaq_pe) + 1\n recv_index_l(k+2, 1, cmaq_pe) = x_e - x_s + 1\n recv_index_l(k, 2, cmaq_pe) = y_s - dest_domain_map(1,2,cmaq_pe) + 1\n recv_index_l(k+1, 2, cmaq_pe) = y_e - dest_domain_map(1,2,cmaq_pe) + 1\n recv_index_l(k+2, 2, cmaq_pe) = y_e - y_s + 1\n\n end if\n end do\n end do\n\n end subroutine compute_comm_indices\n\n end module twoway_util_module\n" }, { "path": "CCTM/src/util/util/CMAQ_Control_Misc.nml", "content": "!------------------------------------------------------------------------------!\n! Explicit and Lumped air quality Mode Output (ELMO) Synthesizer !\n! PM Diagnostic Output File Specifications !\n! This section allows you to customize or deactivate diagnostic species for !\n! PM output. With ELMO's interface and underlying routines, you are able to !\n! output upon request aggregate PM parameters like total PM2.5 mass, mass of!\n! individual species in any fine aerosol mode, and even properties like !\n! aerosol pH, OM:OC, AOD, etc. With these feature, you may be able to !\n! deactivate the output of many individual PM species on your concentration !\n! files if you are only interested in total values. For example, no need to !\n! output AMT1-AMT6 if you only need total organics, PMF_OA. !\n! !\n! You may invoke individual parameters in the interface below, (see !\n! instructions) or you may also use keywords to invoke a group of pre- !\n! associated parameters. For instance, using the string \"AMET\" below as an !\n! output parameter will automatically activate all of the parameters needed !\n! for an AMET evaluation of PM species. !\n! !\n! Definition of Fields: !\n! ELMO_ACTIVATE - turn files on and off !\n! 'INSTANT' - If .TRUE., then the instantaneous ELMO output file will !\n! be output. If .FALSE. it will not. !\n! 'AVERAGE' - If .TRUE., then the average ELMO output file will !\n! be output. If .FALSE. it will not. !\n! ELMO_INST - set parameters for instantaneous output !\n! 'INST_LAYER_TOP' - highest CMAQ layer for instantaneous output ! \n! 'INST_LAYER_BOT' - lowest CMAQ layer for instantaneous output !\n! 'INST_VARS_NML' - register of all variables requested by the user. !\n! Variables can be listed explicitly (e.g. O3, PM25_FRM, DENS) or !\n! by keyword groups. The following keywords and definitions are !\n! supported: !\n! 'ALL' - all possible parameters. This keyword activates a !\n! large number of variables including all 180+ ELMO !\n! aggregates variables, all raw concentrations !\n! variables, and all family variables. By default, bulk!\n! aerosols are preloaded as families. !\n! 'ALLCONC' - all raw concentration variables !\n! 'DEFAULT' - parameters typically supported by COMBINE !\n! post-processing in the past. !\n! 'AMET' - parameters used for evaluation against AMET database!\n! 'MASS' - parameters associated with mass aggregates (eg PM25,!\n! PM10, PMF_MASS, PMC_MASS, etc) !\n! 'NUMBER' - parameters assoc. with number output like PMF_NUM,!\n! N40, N100, etc. !\n! 'SIZE' - parameters assoc. with size distributions like !\n! DRY_DG, WET_M3, WET_DENS, etc !\n! 'SURFACE' - parameters assoc. with PM surface area (e.g. !\n! PM_SRF, PMF_SRF) !\n! 'ORGANIC' - organic-relevant parameters like PM1_OC, PM1_OA, !\n! PMF_OTOC, PMAMS_OA, etc !\n! 'MET' - meteorlogical parameters: RH, T, 2m-T, P !\n! 'CHEM' - aerosol chemistry parameters like GAMMA_N2O5, !\n! K_IEPOX, etc. !\n! 'FINE_SPECIES' - fine-mode speciation (e.g. PMF_SO4, etc) !\n! 'COARSE_SPECIES' - coarse-mode speciation (e.g. PMC_SO4, etc)!\n! 'AMS_SPECIES' - AMS speciation (e.g. PMAMS_SO4, etc) !\n! 'PM1_SPECIES' - PM1.0 speciation (e.g. PM1_SO4, etc) !\n! 'PM25_SPECIES' - PM2.5 speciation (e.g. PM25_SO4, etc) !\n! 'PM25to10_SPECIES' - PM25to10 speciation (eg PM25to10_SO4, !\n! etc) !\n! 'OPTICAL' - AOD, Aerosol Extinction all at 550 nm !\n! 'FINE_ORG' - fine-mode organic aggregates like PMF_OC, !\n! PMF_POA, PMF_ASOA, etc. !\n! 'CUTOFF_FRACTIONS' - FPM01, FPM1, FPM25, FPM10, FPM25TO10, !\n! FAMS !\n! 'TOXICS' - Species output by the toxics version of CMAQ !\n! (e.g. PM25_HBE, PM25_HNI, PM10_HDIESEL', etc !\n! In CMAQ v5.5 and earlier versions with ELMO output!\n! files, the TOXICS keyword group omits several !\n! toxic aerosol species. The missing species include! \n! PM10 for nickle as well as PM25, PM10, and !\n! fraction aerosol for benzo[a]pyrene. To have the !\n! variables in the ELMO output files, a user has to !\n! add PM10_HNI, PM25_BENAPY, PM10_BENAPY and !\n! BENAPY_FAERO as well as the TOXICS keyword groups !\n! to CMAQ_Control_Misc.nml file in the CCTM build !\n! directory. !\n! !\n! ELMO_AVRG - set parameters for average output !\n! 'AVRG_LAYER_TOP' - top CMAQ layer for average output. Enter '-1' !\n! for the highest layer in the model domain ! \n! 'AVRG_LAYER_BOT' - lowest CMAQ layer for avergae output !\n! 'AVRG_VARS_NML' - register of all variables requested by the user. !\n! Options are equivalent to those for INST_VARS_NML !\n! !\n!------------------------------------------------------------------------------!\n\n&elmo_activate\n instant = .FALSE.\n average = .TRUE.\n/\n\n&elmo_inst\n Inst_Layer_Top = 1\n Inst_Layer_Bot = 1\n Inst_Vars_Nml = 'DEFAULT'\n \n! Example for limited output\n! Inst_Vars_Nml = 'NO2', 'FORM', 'SO2', 'O3', 'PM25', 'PM10', 'DENS', 'NOX', 'AOD_550'\n/\n\n&elmo_avrg\n Avrg_Layer_Top = 1\n Avrg_Layer_Bot = 1\n Avrg_Vars_Nml = 'DEFAULT'\n\n! Example for limited output\n! Avrg_Vars_Nml = 'NO2', 'FORM', 'SO2', 'O3', 'PM25', 'PM10', 'DENS', 'NOX', 'AOD_550'\n/\n\n\n\n!------------------------------------------------------------------------------!\n! Budget Tool Variable and Family Definitions !\n! This section includes selections for species and families of CMAQ !\n! that may be grouped together when calculating budget values for the !\n! budget output file. Users may select any CMAQ chemical species, chemical !\n! family defined in the ChemicalFamilies section of this namelist or may !\n! use the ALL keyword to select all species. !\n! If a Family name or the TOTAL keyword are provided, the sum of those !\n! species will be output on the budget file. If a * proceeds the name (e.g. !\n! '*NOX') then the Family name will be expanded and all of the species it !\n! comprises will be added separately. The default selection is for all !\n! chemical species to be output individually. !\n!------------------------------------------------------------------------------!\n\n&Budget_Options\n Budget_Diag = .TRUE.\n BudgetVariables = 'ALL'\n/ \n\n!------------------------------------------------------------------------------!\n! Emissions Scaling Family Definitions !\n! This component includes definitions for families of CMAQ chemical species !\n! and emission variables. !\n! Note that if you are defining a 'VOC' family to apply scaling to all VOC !\n! emissions, it is recommended that you define 'VOC' either in terms of the !\n! emission variables (consistent with variable names on your emission file) !\n! or with CMAQ species names. In order to use this family to scale VOC !\n! emissions via an emission rule, use the 'VOC' family for either the !\n! emission variable or CMAQ species, consistent with how you have defined it!\n! here, and use the 'ALL' keyword for the other field. !\n!------------------------------------------------------------------------------!\n&Chemical_FamVars\n N_Chem_Fams = 0\n Max_Chem_Fam_Members = 20\n/\n\n&ChemicalFamilies\n! ChemFamilyName(1) = 'NOX'\n! ChemFamilyMembers(1,:)= 'NO','NO2'\n/\n\n\n" }, { "path": "CCTM/src/util/util/RUNTIME_VARS.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n!....................................................................\n! The RUNTIME_VARS module contains file unit identifiers for the log files,\n! input files, and the values of all environment variables.\n!\n! It also contains routines for reading environment variables, and\n! opening input files.\n!\n! History:\n! 07/19/18, D. Wong: removed some of the ifdef clause for twoway model\n! and added new logical environment variables\n! ncd_64bit_offset and cell_num for MPAS coupling scheme\n! 31 Jan 2019 (David Wong)\n! -- removed all twoway related environment variables in this file\n! 01 Feb 2019 (David Wong)\n! -- implemented invocation of GET_ENV call directly, removed unnecessay\n! interface block and unnecessary functions\n! 02 May 2019 (David Wong)\n! -- set BIOGEMIS_SEASON = .FALSE. as the default value\n! 13 May 2019 (David Wong)\n! -- setup environment variable ISAM_NEW_START\n! 14 May 2019 (David Wong)\n! -- updated environment variable ISAM_NEW_START with default value 'Y'\n! 15 May 2019 (David Wong)\n! -- included check for using marine gas emission or not\n! 13 June 2019 (F. Sidi) \n! -- Set the default for ERODE_AGLAND to FALSE. No longer supported feature\n! in CMAQv5.3\n! 25 July 2019 (D. Wong) \n! -- Included a logic to determine whether met data was created from \n! WRF V4+ is used\n! 01 Aug 2019 (D. Wong) \n! -- Modified code to work with two-way model\n! 07 Nov 2019 (D. Wong) \n! -- Made RUNLEN environment variable avilable to two-way model as well\n! 22 Nov 2019 (F. Sidi) \n! -- Re-introduced master switch to overide emissions file date for\n! representative day files\n! 10 Feb 2020 (D. Wong) \n! -- Added new environmental variable, MET_TSTEP, to enable\n! running with temporally finer meteorology\n! 10 Jun 2021 (G. Sarwar)\n! -- Added 'CB6R5M' and deleted \"CB6R3M\"\n! 4 Mar 2022 (G. Sarwar)\n! -- Added 'CB6R5'\n!....................................................................\n\n MODULE RUNTIME_VARS\n\n use get_env_module\n#ifdef mpas\n use universal_data_module, only : logdev\n use mydata_module\n#endif\n\n IMPLICIT NONE\n\n SAVE\n\n PUBLIC\n\n INTEGER :: OUTDEV = 6 ! File Unit for Standard Output\n#ifndef mpas\n INTEGER :: LOGDEV = -1 ! File Unit for Ascii Log File\n#endif\n INTEGER :: TOTPE = 1 ! Number of Total Processors\n INTEGER :: NPROCS = 1 ! Number of Total Processors\n INTEGER :: MYPE = -1 ! Processor Number\n CHARACTER( 3 ) :: CMYPE = \"\" ! Processor Number\n\n !-----------------------------------------------------------------------------------\n !>> Parameters for formatting output log files\n !-----------------------------------------------------------------------------------\n\n INTEGER, PARAMETER :: CTM_DIAG_LVL = 0\n \n INTEGER :: LOG_LINE_LENGTH = 80 ! Cut the log offs at this character if possible\n INTEGER :: LOG_MAJOR_TAB = 5 ! Left tab for all text including headings\n INTEGER :: LOG_MINOR_TAB = 2 ! Tab for indenting subsequent lines of text in\n ! a paragraph for instance.\n\n CHARACTER( 10 ) :: WEEKDAY( 7 ) = (/'Monday ','Tuesday ','Wednesday',\n & 'Thursday ','Friday ','Saturday ','Sunday ' /)\n\n\n! this is for MPAS\n LOGICAL :: ncd_64bit_offset = .FALSE.\n\n !-----------------------------------------------------------------------------------\n !>> Define Environment Variables for Controlling CMAQ Processes\n !-----------------------------------------------------------------------------------\n\n ! Met model version\n LOGICAL :: WRF_V4P = .FALSE. ! Indicator of whether WRF version is 4+ or not\n\n ! Convective scheme in met model\n LOGICAL :: CONVECTIVE_SCHEME = .TRUE.\n ! Flag for column model\n LOGICAL :: COLUMN_MODEL = .FALSE.\n\n ! Grid and High-Level Model Parameters\n LOGICAL :: NEW_START = .TRUE. ! Start New Simulation. Not a Restart\n LOGICAL :: IGNORE_SOILINP = .FALSE. ! In case you don't have prev day\n CHARACTER(300):: EXECUTION_ID = '' ! Execution ID\n CHARACTER(16) :: GRID_NAME = '' ! grid name selected from GRIDDESC\n CHARACTER(16) :: PROGNAME = 'DRIVER' ! Program name selected from GRIDDESC\n INTEGER :: RUNLEN = 480000 ! Run Length\n INTEGER :: STDATE = 1995192 ! Start Date\n INTEGER :: STTIME = 000000 ! Start Time\n INTEGER :: LOCAL_TSTEP = 010000 ! set to TSTEP( 1 ) in initscen.F\n INTEGER :: MET_TSTEP ! set meterology input temporal frequency\n INTEGER :: NPCOL = 1 ! no. of processors across grid columns\n INTEGER :: NPROW = 1 ! no. of processors across grid rows\n INTEGER :: MAXSYNC = 720 ! force max TSTEP(2) (sec)\n INTEGER :: MINSYNC = 60 ! force min TSTEP(2) (sec)\n\n INTEGER, PARAMETER :: MAXLEN_CCTM_APPL = 200 ! Length of Logfile Names\n CHARACTER( MAXLEN_CCTM_APPL ) :: APPL_NAME = 'APPL' ! Logfile Names\n CHARACTER( MAXLEN_CCTM_APPL ) :: BLDFOLD = '' ! Build Directory\n CHARACTER( MAXLEN_CCTM_APPL ) :: OUTDIR = '' ! Output Directory\n\n ! General; Multiprocess control, output and error checking\n LOGICAL :: PRINT_PROC_TIME = .FALSE. ! Flag to print elapsed time for all \n ! science submodules\n LOGICAL :: FL_ERR_STOP=.TRUE. ! Flag to stop run if errors are found.\n LOGICAL :: CKSUM = .TRUE. ! flag for cksum on, default = [T]\n LOGICAL :: END_TIME = .FALSE. ! Override default beginning ACON timestamp\n \n INTEGER :: N_ACONC_VARS = 0 ! Number of species saved to avg conc file\n INTEGER :: N_CONC_VARS = 0 ! Number of species saved to conc file\n INTEGER :: ACONC_BLEV= 0 ! Beginning level saved to avg conc file\n INTEGER :: ACONC_ELEV= 0 ! Ending level saved to avg conc file\n INTEGER :: CONC_BLEV = 0 ! Beginning level saved to conc file\n INTEGER :: CONC_ELEV = 0 ! Ending level saved to conc file\n CHARACTER( 16 ) :: ACONC_FILE_SPCS( 900 ) = '' ! avg conc file species list\n CHARACTER( 16 ) :: CONC_FILE_SPCS(900 ) = '' ! conc file species list\n LOGICAL :: PWRTFLAG = .TRUE. ! Print confirmation of successful output \n ! to logfile\n LOGICAL :: LVEXT = .FALSE. ! Flag to perform vertical Extraction\n CHARACTER( 1000 ) :: VEXT_COORD_PATH = \"\" ! File Path for Lon-Lat Text file specifying \n ! locations for vertical extraction\n \n CHARACTER(256) :: GC_NAMELIST = '' ! Gas Species Namelist\n CHARACTER(256) :: AE_NAMELIST = '' ! Aerosol Species Namelist\n CHARACTER(256) :: NR_NAMELIST = '' ! Nonreactive Species Namelist\n CHARACTER(256) :: TR_NAMELIST = '' ! Tracer Species Namelist\n \n ! Chemistry and Photolysis\n LOGICAL :: PHOTDIAG = .FALSE. ! Flag for PHOTDIAG file\n INTEGER :: NLAYS_DIAG = 0 ! Number of Diagnostic Layers to write out for photolysis\n INTEGER :: NWAVE = 0 ! Number of Diagnostic Wavelengths\n CHARACTER(16) :: WAVE_ENV(100) ! Targeted wavelengths for diagnostic output\n LOGICAL :: CORE_SHELL= .FALSE. ! flag for using core-shell mixing model for aerosol optics\n INTEGER :: AEROSOL_OPTICS = 3 ! optics calculation method of volume mixture aerosols\n REAL :: GEAR_RTOL = 1.0E-3 ! Relative Tolerance for Gear Solver\n REAL :: GEAR_MAX_ATOL = 1.0E-7 ! Upper Bound for Absolute Tolerance in Gear Solver (ppmV)\n REAL :: GEAR_MIN_ATOL = 1.0E-9 ! Lower Bound for Absolute Tolerance in Gear Solver (ppmV)\n REAL :: GEAR_CONC_FLOOR = 1.0E-12 ! Lowest Concentration used determing ATOL in Gear Solver (ppmV)\n REAL :: GLBL_ATOL = 1.0E-7 ! Absolute Tolerance for Rosenbrock Solver (ppmV)\n REAL :: GLBL_RTOL = 1.0E-3 ! Relative Tolerance for Rosenbrock Solver\n LOGICAL :: LPVO3 = .FALSE. ! Activate Potential Vorticity Module (default=False)\n\n ! Aerosols\n LOGICAL :: IC_AERO_M2WET=.FALSE.! flag for specifying wet aerosol size parameters \n ! for initial conditions. FALSE = dry\n LOGICAL :: BC_AERO_M2WET=.FALSE.! flag for specifying wet aerosol size parameters \n ! for boundary conditions. FALSE = dry\n LOGICAL :: IC_AERO_M2USE=.TRUE. ! flag for using the second moment from the input file\n ! for initial conditions. TRUE = use input 2nd moment\n LOGICAL :: BC_AERO_M2USE=.TRUE. ! flag for using the second moment from the input file\n ! for boundary conditions.TRUE = use input 2nd moment\n\n ! Cloud Parameters\n LOGICAL :: CLD_DIAG = .FALSE. ! flag to output cloud diagnostic files\n\n ! Air-Surface Exchange\n LOGICAL :: ABFLUX = .FALSE. ! flag for ammonia bi-directional flux with in-lining depv\n LOGICAL :: MOSAIC = .FALSE. ! flag for STAGE mosaic - output land use specific deposition and deposition velocity\n LOGICAL :: SFC_HONO = .FALSE. ! flag for HONO interaction with surfaces \n LOGICAL :: PX_LSM = .TRUE. ! flag for WRF PX land surface model\n LOGICAL :: CLM_LSM = .FALSE. ! flag for WRF CLM land surface model\n LOGICAL :: NOAH_LSM = .TRUE. ! flag for WRF NOAH land surface model\n LOGICAL :: DEPV_DIAG = .FALSE. ! flag for grid cell deposition velocity diagnostic file\n Logical :: HGBIDI = .FALSE. ! flag for Hg bidirectional exchange\n Logical :: BIDI_FERT_NH3 = .TRUE. ! flag to remove fertilizer ammonia from Bidirectional emissions\n Logical :: STAGE_E20 = .TRUE. ! flag for the Emerson et al. 2020 Aerosol deposition model PNAS https://www.pnas.org/cgi/doi/10.1073/pnas.2014761117\n Logical :: STAGE_P22 = .FALSE. ! flag for the Pleim et al. 2022 Aerosol deposition model\n Logical :: STAGE_S22 = .FALSE. ! flag for the Shu et al. 2022 Aerosol deposition model\n CHARACTER(16) :: DUST_LAND_SCHEME = \"UNKNOWN\" ! NLCD, USGS, etc\n \n\n ! Transport Processes\n LOGICAL :: VDIFFDIAG = .FALSE. ! flag for VDIFF diagnostic files\n REAL :: SIGST = 0.7 ! sigma_sync_top value\n REAL :: HDIV_LIM = 0.9 ! cutoff for max horizontal divergence step adj\n REAL :: CFL = 0.75 ! maximum Courant-Friedrichs-Lewy number allowed\n Logical :: MINKZ = .TRUE. ! flag for minimum Kz \n LOGICAL :: W_VEL = .FALSE. ! flag for vertical velocity \n LOGICAL :: GRAV_SETL = .TRUE. ! flag for aerosol gravitational setling\n\n\n ! Emissions Processes\n CHARACTER( MAXLEN_CCTM_APPL ) :: STAGECTRL = 'STAGECTRL_NML' ! STAGE Deposition Control Filename\n CHARACTER( MAXLEN_CCTM_APPL ) :: MISC_CTRL = 'MISC_CTRL_NML' ! Emission Control Filename\n CHARACTER( MAXLEN_CCTM_APPL ) :: DESID_CTRL = 'DESID_CTRL_NML' ! Emission Control Filename\n CHARACTER( MAXLEN_CCTM_APPL ) :: DESID_CHEM_CTRL = 'DESID_CHEM_CTRL_NML' ! Emission Control Filename\n INTEGER :: EMLAYS_MX = 0 ! Emission Layers\n INTEGER :: N_FILE_GR = 0 ! Number of Gridded Emission Files\n INTEGER :: N_FILE_TR = 0 ! NUmber of Tracer Emission Files\n LOGICAL :: EMISCHK = .TRUE. ! flag for checking that surrogate emissions \n ! are present on emission files\n LOGICAL :: BIOGEMIS_BEIS = .FALSE. ! flag to in-line biogenic VOC emissions\n LOGICAL :: BIOGEMIS_MEGAN= .FALSE. ! flag to in-line MEGAN biogenic emissions\n LOGICAL :: USE_MEGAN_LAI = .FALSE. ! flag to use MEGAN LAI values\n LOGICAL :: MGN_ONLN_DEP = .FALSE. ! flag to use ONLINE N deposition in BDSNP\n LOGICAL :: BDSNP_MEGAN = .FALSE. ! flag to use BDSNP for soil NO \n CHARACTER(16) :: SPPRO = 'DEFAULT' ! requested speciation profile name\n LOGICAL :: BEMIS_DIAG = .TRUE. ! true: write diagnostic emiss file\n LOGICAL :: MGEMDIAG = .FALSE. ! flag for MGEM diagnostic file\n LOGICAL :: OCEAN_CHEM = .TRUE. ! Flag for ocean halogen chemistry and sea spray aerosol emissions\n LOGICAL :: WB_DUST = .FALSE. ! flag for On-Line Dust Emission Calculation\n LOGICAL :: DUSTEM_DIAG = .FALSE. ! flag for dustemis diagnostic file\n LOGICAL :: SSEMDIAG = .FALSE. ! flag for SSEMIS diagnostic file\n LOGICAL :: LTNG_NO = .FALSE. ! flag for online calculation of NO from lightning\n INTEGER :: LT_ASM_DT = 0 ! Lightning Input Time Interval\n LOGICAL :: NLDNSTRIKE = .FALSE. ! flag to use NLDN STRIKE directly \n LOGICAL :: LTNGDIAG = .FALSE. ! flag to turn on lightning NO diagnostics\n REAL :: MOLSNCG = 350.0 ! Lightning NO Production Rate\n REAL :: MOLSNIC = 350.0 ! Lightning NO Production Rate\n CHARACTER(250) :: LTNG_FNAME = 'InLine' ! Lightning NO Input Name\n\n INTEGER :: NPTGRPS = 0 ! no. pt src input file groups\n LOGICAL :: PT3DDIAG = .FALSE. ! Write point source 3d emis diagnostic file\n LOGICAL :: PT3DFRAC = .FALSE. ! Write layer fractions diagnostic file, if true\n INTEGER :: PT_NSTEPS = 1\n INTEGER :: PT_DATE = 1995192 ! Julian start date (YYYYDDD)\n INTEGER :: PT_TIME = 0 ! start time (HHMMSS)\n INTEGER :: IPVERT = 0 ! Numerical flag for plume vertical spread method\n INTEGER :: REP_LAYR = -1 ! Minimum layer for reporting srcs w/ high plumes\n LOGICAL :: EMIS_SYM_DATE = .FALSE. ! Overrider CMAQ not to check\n ! if the dates on the emissions file match that of \n ! the interal model (representative day case)\n CHARACTER( 16 ), SAVE, ALLOCATABLE :: PLAY_BASE( : ) ! Use for Plume Rise Calculation\n\n LOGICAL :: USE_MARINE_GAS_EMISSION = .FALSE.\n\n ! Process Analysis\n LOGICAL :: PROCAN = .FALSE. ! flag for process analysis\n INTEGER :: PA_BEGCOL = 0 ! Starting PA output\n INTEGER :: PA_ENDCOL = 0 ! ending column for PA output\n INTEGER :: PA_BEGROW = 0 ! Starting row for PA output\n INTEGER :: PA_ENDROW = 0 ! ending row for PA output\n INTEGER :: PA_BEGLEV = 0 ! Starting layer for PA output\n INTEGER :: PA_ENDLEV = 0 ! ending layer for PA output\n CHARACTER( MAXLEN_CCTM_APPL ) :: BUDGET_FNAME = 'CCTM_BUDGET' ! STAGE Deposition Control Filename\n\n ! Sulfur tracking\n LOGICAL :: STM = .FALSE. ! flag for sulfur tracking option\n LOGICAL :: ADJ_STMSPC = .TRUE. ! flag for normalizing sulfur tracking species\n\n ! ISAM\n CHARACTER(1) :: ISAM_NEW_START = 'Y' ! Start New Simulation. Not a Restart for ISAM\n INTEGER :: ISAM_BLEV = 0 ! Beginning level saved to conc file\n INTEGER :: ISAM_ELEV = 0 ! Ending level saved to conc file\n INTEGER :: SA_NLAYS = 0 ! Number of layers saved to conc file\n INTEGER :: AISAM_BLEV = 0 ! Beginning level saved to sa_aconc file\n INTEGER :: AISAM_ELEV = 0 ! Ending level saved to sa_aconc file\n INTEGER :: AVGSA_LAYS = 0 ! Number of layers saved to conc file\n INTEGER :: ISAM_CHEM_BIAS = 5 ! which chemistry are biased in apportioning reaction yields\n ! to source reactant\n ! 1 for none so divided equally between sources' reactant\n ! 2 for all products apportioned to sources with NO, NO2, NO3, HONO, ANO3\n ! -equally if reactants are neither or both\n ! 3 for all products apportioned to sources with Case 2 plus select OVOC species \n ! and radicals\n ! -equally if reactants are neither or both\n ! 4 for all products apportioned to sources with select OVOC species \n ! and radicals\n ! -equally if reactants are neither or both\n ! 5 to switch between Cases 2 and 3 based on whether\n ! production H2O2 over production HNO3 less than VOC_NOX_TRANS\n \n REAL :: VOC_NOX_TRANS = 0.35 ! H2O2 to HNO3 marking transition from NOx to VOC limiting O3 production \n INTEGER :: ISAM_NOX_CASE = 2 ! option of ISAM_CHEM_BIAS representing NOx limiting O3 production\n INTEGER :: ISAM_VOC_CASE = 4 ! option of ISAM_CHEM_BIAS representing VOC limiting O3 production\n\n CONTAINS\n \n!.........................................................................\n SUBROUTINE INIT_ENV_VARS( JDATE, JTIME )\n\n! Defines and retrieves values for all environment variable input to \n! CMAQ. \n!.........................................................................\n\n USE RXNS_DATA, ONLY : MECHNAME\n#ifdef mpas\n use utilio_defn\n#else\n USE M3UTILIO\n#endif\n\n IMPLICIT NONE \n\n INCLUDE SUBST_FILES_ID ! file name parameters\n\n#ifdef parallel \n include 'mpif.h'\n#endif\n \n INTEGER, INTENT( In ) :: JDATE \n INTEGER, INTENT( In ) :: JTIME \n CHARACTER( 16 ) :: V_LIST2( 20 )\n CHARACTER( 240 ) :: XMSG = '' \n INTEGER :: NV\n\n\n INTEGER :: STATUS ! ENV... status\n CHARACTER( 400 ) :: STRTEMP\n CHARACTER( 80 ) :: PBASE \n INTEGER, PARAMETER :: EXIT_STATUS = 1\n INTEGER :: ERROR\n INTEGER :: VARDEV = -1\n\n LOGICAL :: FOUND\n LOGICAL :: EFLAG = .FALSE.\n INTEGER :: LOC, STR_LEN\n CHARACTER(10) :: WRF_VERSION\n\n CHARACTER( 16 ) :: PNAME = 'RUNTIME_VARS'\n\n !-------------------------------------------------------------------------------------------------------\n !>> Grid and High-Level Model Parameters\n !-------------------------------------------------------------------------------------------------------\n#ifdef parallel\n CALL MPI_COMM_RANK ( MPI_COMM_WORLD, MYPE, ERROR )\n CALL MPI_COMM_SIZE ( MPI_COMM_WORLD, TOTPE, ERROR )\n#else\n MYPE = 0\n TOTPE = 0\n#endif\n \n IF ( MYPE .EQ. 0 ) VARDEV = OUTDEV\n\n ! Get Simulation Scenario Name to Label Log Files, etc\n CALL GET_ENV( APPL_NAME, 'CTM_APPL', APPL_NAME, VARDEV )\n \n ! Start I/O-API and set up log file(s)\n CALL SETUP_LOGDEV()\n IF ( MYPE .EQ. 0 ) THEN \n CALL LOG_HEADING( OUTDEV, \"Environment Variable Report\" )\n CALL LOG_SUBHEADING( OUTDEV, \"Grid and High-Level Model Parameters\" )\n WRITE( OUTDEV, '(6x,A)' ),'--Env Variable-- | --Value--'\n WRITE( OUTDEV, '(6x,A)' ), REPEAT( '-',80 )\n END IF\n\n ! Get Logfile Directory\n CALL GET_ENV ( BLDFOLD, 'BLD', BLDFOLD, VARDEV ) \n \n ! Get Logfile Directory\n CALL GET_ENV ( OUTDIR, 'OUTDIR', OUTDIR, VARDEV ) \n \n ! Determine if this run is a new start or a restart\n CALL GET_ENV ( NEW_START, 'NEW_START', NEW_START, VARDEV )\n\n ! Determine if prev day soilinp is available for MEGAN\n CALL GET_ENV ( IGNORE_SOILINP, 'IGNORE_SOILINP', IGNORE_SOILINP, VARDEV )\n \n ! Get Execution ID\n CALL GET_ENV ( STRTEMP, 'EXECUTION_ID', EXECUTION_ID, VARDEV )\n EXECUTION_ID = STRTEMP(1:300)\n\n ! Get Grid Name\n CALL GET_ENV ( STRTEMP, 'GRID_NAME', GRID_NAME, VARDEV )\n GRID_NAME = STRTEMP(1:16)\n\n ! Output Time Step\n CALL GET_ENV ( LOCAL_TSTEP, 'CTM_TSTEP', LOCAL_TSTEP, VARDEV )\n\n ! Run Duration\n CALL GET_ENV ( RUNLEN, 'CTM_RUNLEN', RUNLEN, VARDEV )\n \n#ifndef twoway\n ! Main Program Name\n CALL GET_ENV ( STRTEMP, 'CTM_PROGNAME', PROGNAME, VARDEV )\n PROGNAME = STRTEMP( 1:16 )\n\n ! Starting Date\n CALL GET_ENV ( STDATE, 'CTM_STDATE', STDATE, VARDEV )\n\n ! Starting Time\n CALL GET_ENV ( STTIME, 'CTM_STTIME', STTIME, VARDEV )\n\n ! Retrieve the domain decomposition processor array\n IF ( NPROCS .GT. 1 ) THEN\n CALL GET_ENVLIST ( 'NPCOL_NPROW', NV, V_LIST2, VARDEV )\n IF ( NV .NE. 2 ) THEN\n XMSG = 'Environment variable problem for NPCOL_NPROW'\n & // ' using default 1X1'\n CALL M3WARN ( 'INIT_ENV_VARS', 0, 0, XMSG )\n NV = 2\n V_LIST2( 1 ) = '1'\n V_LIST2( 2 ) = '1'\n END IF\n READ( V_LIST2( 1 ), '( I4 )' ) NPCOL\n READ( V_LIST2( 2 ), '( I4 )' ) NPROW\n END IF\n \n#endif\n \n ! MAXSYNC\n CALL GET_ENV ( MAXSYNC, 'CTM_MAXSYNC', MAXSYNC, VARDEV )\n\n ! MINSYNC\n CALL GET_ENV ( MINSYNC, 'CTM_MINSYNC', MINSYNC, VARDEV )\n\n\n !-------------------------------------------------------------------------------------------------------\n !>> General; Multiprocess control, output and error checking\n !-------------------------------------------------------------------------------------------------------\n\n IF ( MYPE .EQ. 0 ) THEN \n CALL LOG_SUBHEADING( OUTDEV, \"Multiprocess control, output and error checking\" )\n WRITE( OUTDEV, '(6x,A)' ),'--Env Variable-- | --Value--'\n WRITE( OUTDEV, '(6x,A)' ), REPEAT( '-',80 )\n END IF\n\n ! PRINT_PROC_TIME\n CALL GET_ENV ( PRINT_PROC_TIME, 'PRINT_PROC_TIME', PRINT_PROC_TIME, VARDEV ) \n\n ! FL_ERR_STOP\n CALL GET_ENV ( FL_ERR_STOP, 'FL_ERR_STOP', FL_ERR_STOP, VARDEV ) \n\n ! CKSUM\n CALL GET_ENV ( CKSUM, 'CTM_CKSUM', CKSUM, VARDEV )\n\n ! Override default beginning time timestamp for ACONC?\n CALL GET_ENV ( END_TIME, 'AVG_FILE_ENDTIME', END_TIME, VARDEV )\n \n ! ACONC File Species List\n CALL GET_ENVLIST ( 'AVG_CONC_SPCS', N_ACONC_VARS, ACONC_FILE_SPCS, VARDEV )\n\n ! CONC File Species List \n CALL GET_ENVLIST ( 'CONC_SPCS', N_CONC_VARS, CONC_FILE_SPCS, VARDEV )\n \n ! ACONC Layer Specification\n CALL GET_ENVLIST ( 'ACONC_BLEV_ELEV', NV, V_LIST2, VARDEV )\n IF ( NV .LE. 0 ) THEN ! assume 1:NLAYS\n ACONC_BLEV = 1\n ACONC_ELEV = -1\n ELSE IF ( NV .EQ. 1 ) THEN ! Assume 1:CONC_BLEV_ELEV\n ACONC_BLEV = 1\n READ( V_LIST2( 2 ), '( I4 )' ) ACONC_ELEV\n ELSE IF ( NV .EQ. 2 ) THEN ! Correct Input\n READ( V_LIST2( 1 ), '( I4 )' ) ACONC_BLEV\n READ( V_LIST2( 2 ), '( I4 )' ) ACONC_ELEV\n ELSE \n XMSG = 'Environment variable error for ACONC_BLEV_ELEV'\n CALL M3EXIT( 'INIT_ENV_VARS', JDATE, JTIME, XMSG, EXIT_STATUS )\n END IF\n \n ! CONC File Vertical Layer Range and Speciation\n CALL GET_ENVLIST ( 'CONC_BLEV_ELEV', NV, V_LIST2, VARDEV )\n IF ( NV .LE. 0 ) THEN ! assume 1:NLAYS\n CONC_BLEV = 1\n CONC_ELEV = -1\n ELSE IF ( NV .EQ. 1 ) THEN ! Assume 1:CONC_BLEV_ELEV\n CONC_BLEV = 1\n READ( V_LIST2( 2 ), '( I4 )' ) CONC_ELEV\n ELSE IF ( NV .EQ. 2 ) THEN ! Correct Input\n READ( V_LIST2( 1 ), '( I4 )' ) CONC_BLEV\n READ( V_LIST2( 2 ), '( I4 )' ) CONC_ELEV\n ELSE \n XMSG = 'Environment variable error for CONC_BLEV_ELEV'\n CALL M3EXIT( 'INIT_ENV_VARS', JDATE, JTIME, XMSG, EXIT_STATUS )\n END IF\n\n ! PWRTFLAG\n CALL GET_ENV ( PWRTFLAG, 'IOAPI_LOG_WRITE', PWRTFLAG, VARDEV )\n\n ! Get Flag for Vertical Extraction\n CALL GET_ENV ( LVEXT, 'VERTEXT', LVEXT, VARDEV )\n#ifdef parallel\n ! Get Filepath for File Specifying Lon-Lat Coordinates for\n ! Vertical Extraction\n CALL GET_ENV ( VEXT_COORD_PATH, 'VERTEXT_COORD_PATH', VEXT_COORD_PATH, VARDEV )\n#else\n IF( LVEXT ) THEN\n LVEXT = .FALSE.\n WRITE( OUTDEV,'(A)')'Option to extract a Vertical Column of Ouptut Data set to YES'\n WRITE( OUTDEV,'(A)')'However, the serial version cannot execute the option'\n WRITE( LOGDEV,'(A)')'Option to extract a Vertical Column of Ouptut Data set to YES'\n WRITE( LOGDEV,'(A)')'However, the serial version cannot execute the option'\n END IF\n#endif\n\n ! Get Filename for Gas Species Namelist\n CALL GET_ENV ( GC_NAMELIST, 'gc_matrix_nml', GC_NAMELIST, VARDEV )\n\n ! Get Filename for Aerosol Species Namelist\n CALL GET_ENV ( AE_NAMELIST, 'ae_matrix_nml', AE_NAMELIST, VARDEV )\n\n ! Get Filename for Nonreactive Species Namelist\n CALL GET_ENV ( NR_NAMELIST, 'nr_matrix_nml', NR_NAMELIST, VARDEV )\n\n ! Get Filename for Tracer Species Namelist\n CALL GET_ENV ( TR_NAMELIST, 'tr_matrix_nml', TR_NAMELIST, VARDEV )\n\n#ifdef isam\n !-------------------------------------------------------------------------------------------------------\n !>> ISAM\n !-------------------------------------------------------------------------------------------------------\n IF ( MYPE .EQ. 0 ) THEN\n CALL LOG_SUBHEADING( OUTDEV, \"ISAM setting and output options\" )\n WRITE( OUTDEV, '(6x,A)' ),'--Env Variable-- | --Value--'\n WRITE( OUTDEV, '(6x,A)' ), REPEAT( '-',80 )\n END IF\n\n\n ! Determine if this ISAM run is a new start or a restart\n CALL GET_ENV ( ISAM_NEW_START, 'ISAM_NEW_START', ISAM_NEW_START, VARDEV )\n \n ! SA_ACONC Layer Specification\n CALL GET_ENVLIST ( 'AISAM_BLEV_ELEV', NV, V_LIST2, VARDEV )\n IF ( NV .LE. 0 ) THEN ! assume 1:NLAYS\n AISAM_BLEV = 1\n AISAM_ELEV = -1\n ELSE IF ( NV .EQ. 1 ) THEN ! Assume 1:AISAM_BLEV_ELEV\n AISAM_BLEV = 1\n READ( V_LIST2( 2 ), '( I4 )' ) AISAM_ELEV\n ELSE IF ( NV .EQ. 2 ) THEN ! Correct Input\n READ( V_LIST2( 1 ), '( I4 )' ) AISAM_BLEV\n READ( V_LIST2( 2 ), '( I4 )' ) AISAM_ELEV\n ELSE\n XMSG = 'Environment variable error for AISAM_BLEV_ELEV'\n CALL M3EXIT( 'INIT_ENV_VARS', JDATE, JTIME, XMSG, EXIT_STATUS )\n END IF\n\n ! SA_CONC File Vertical Layer Range and Speciation\n CALL GET_ENVLIST ( 'ISAM_BLEV_ELEV', NV, V_LIST2, VARDEV )\n IF ( NV .LE. 0 ) THEN ! assume 1:NLAYS\n ISAM_BLEV = 1\n ISAM_ELEV = -1\n ELSE IF ( NV .EQ. 1 ) THEN ! Assume 1:ISAM_BLEV_ELEV\n ISAM_BLEV = 1\n READ( V_LIST2( 2 ), '( I4 )' ) ISAM_ELEV\n ELSE IF ( NV .EQ. 2 ) THEN ! Correct Input\n READ( V_LIST2( 1 ), '( I4 )' ) ISAM_BLEV\n READ( V_LIST2( 2 ), '( I4 )' ) ISAM_ELEV\n ELSE\n XMSG = 'Environment variable error for ISAM_BLEV_ELEV'\n CALL M3EXIT( 'INIT_ENV_VARS', JDATE, JTIME, XMSG, EXIT_STATUS )\n END IF\n\n ! Get species bias case\n CALL GET_ENV ( ISAM_CHEM_BIAS, 'ISAM_O3_WEIGHTS', ISAM_CHEM_BIAS, VARDEV )\n IF ( ISAM_CHEM_BIAS .LT. 1 .OR. ISAM_CHEM_BIAS .GT. 5 ) THEN\n XMSG = 'ISAM_O3_WEIGHTS must equal 1 thru 5'\n WRITE( OUTDEV, '(A)' )TRIM( XMSG )\n CALL M3EXIT ( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n\n IF ( ISAM_CHEM_BIAS .EQ. 5 ) THEN\n EFLAG = .FALSE.\n ! VOC_NOX_TRANS value, ratio of H2O2 over HNO3 production rates or concentration \n CALL GET_ENV ( VOC_NOX_TRANS, 'VOC_NOX_TRANS', VOC_NOX_TRANS, VARDEV )\n CALL GET_ENV ( ISAM_NOX_CASE, 'ISAM_NOX_CASE', ISAM_NOX_CASE, VARDEV )\n CALL GET_ENV ( ISAM_VOC_CASE, 'ISAM_VOC_CASE', ISAM_VOC_CASE, VARDEV )\n IF ( ISAM_NOX_CASE .LT. 1 .OR. ISAM_NOX_CASE .GT. 4 ) THEN\n XMSG = 'ISAM_NOX_CASE must equal 1 thru 4'\n WRITE( OUTDEV, '(A)' )TRIM( XMSG )\n EFLAG = .TRUE.\n END IF \n IF ( ISAM_VOC_CASE .LT. 1 .OR. ISAM_VOC_CASE .GT. 4 ) THEN\n XMSG = 'ISAM_VOC_CASE must equal 1 thru 4'\n WRITE( OUTDEV, '(A)' )TRIM( XMSG )\n EFLAG = .TRUE.\n END IF \n IF ( ISAM_VOC_CASE .EQ. ISAM_NOX_CASE ) THEN\n XMSG = 'ISAM_VOC_CASE must NOT equal ISAM_NOX_CASE'\n WRITE( OUTDEV, '(A)' )TRIM( XMSG )\n XMSG = 'Set ISAM_O3_WEIGHTS to their value.'\n WRITE( OUTDEV, '(A)' )TRIM( XMSG )\n EFLAG = .TRUE.\n END IF \n IF ( EFLAG ) CALL M3EXIT ( PNAME, 0, 0, 'Found errors in ISAM options', XSTAT1 )\n END IF \n#endif\n \n !-------------------------------------------------------------------------------------------------------\n !>> Chemistry and Photolysis\n !-------------------------------------------------------------------------------------------------------\n\n IF ( MYPE .EQ. 0 ) THEN \n CALL LOG_SUBHEADING( OUTDEV, \"Chemistry and Photolysis\" )\n WRITE( OUTDEV, '(6x,A)' ),'--Env Variable-- | --Value--'\n WRITE( OUTDEV, '(6x,A)' ), REPEAT( '-',80 )\n END IF\n\n ! Get photolysis rate diagnostic file flag\n CALL GET_ENV ( PHOTDIAG, 'CTM_PHOTDIAG', PHOTDIAG, VARDEV )\n\n IF( PHOTDIAG ) THEN\n ! Get desired number of layers for PHOTDIAG2 and PHOTDIAG3 files\n CALL GET_ENV ( NLAYS_DIAG, 'NLAYS_PHOTDIAG', NLAYS_DIAG, VARDEV )\n\n ! Get Desired Wavelengths for Diagnostic Output\n CALL GET_ENVLIST( 'NWAVE_PHOTDIAG', NWAVE, WAVE_ENV, VARDEV )\n END IF \n\n CALL GET_ENV ( AEROSOL_OPTICS, 'AEROSOL_OPTICS', AEROSOL_OPTICS, VARDEV )\n IF ( AEROSOL_OPTICS .GT. 3 ) THEN ! core-shell mixing model possible\n CORE_SHELL = .TRUE.\n AEROSOL_OPTICS = AEROSOL_OPTICS - 3\n END IF\n\n IF ( AEROSOL_OPTICS .LT. 1 .OR. AEROSOL_OPTICS .GT. 3 ) THEN\n XMSG = 'AEROSOL_OPTICS option must equal 1 to 6'\n WRITE( OUTDEV, '(A)' )TRIM( XMSG )\n CALL M3EXIT ( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n\n IF ( MYPE .EQ. 0 ) THEN\n WRITE( OUTDEV, '(/,6x,A,/)' )'--ATOL settings are in ppmV.--'\n END IF\n\n ! Upper Bound for Absolute Tolerance for Gear Solver\n CALL GET_ENV ( GEAR_MAX_ATOL, 'GEAR_MAX_ATOL', GEAR_MAX_ATOL, VARDEV )\n \n ! Lower Bound for Absolute Tolerance for Gear Solver\n CALL GET_ENV ( GEAR_MIN_ATOL, 'GEAR_MIN_ATOL', GEAR_MIN_ATOL, VARDEV )\n \n ! Lowest Concentration used determing ATOL for Gear Solver\n CALL GET_ENV ( GEAR_CONC_FLOOR, 'GEAR_CONC_FLOOR', GEAR_CONC_FLOOR, VARDEV )\n \n !Relative Tolerance for SMVGEAR\n CALL GET_ENV ( GEAR_RTOL, 'GEAR_RTOL', GEAR_RTOL, VARDEV )\n \n ! Tolerances for Rosenbrock Solver\n CALL GET_ENV ( GLBL_RTOL, 'RB_RTOL', GLBL_RTOL, VARDEV )\n\n ! Absolute Tolerance for RB Solver\n CALL GET_ENV ( GLBL_ATOL, 'RB_ATOL', GLBL_ATOL, VARDEV )\n \n ! Get option for scaling ozone in free-troposphere to potential vorticity\n CALL GET_ENV ( LPVO3, 'CTM_PVO3', LPVO3, VARDEV )\n \n !-------------------------------------------------------------------------------------------------------\n !>> Aerosols\n !-------------------------------------------------------------------------------------------------------\n \n IF ( MYPE .EQ. 0 ) THEN \n CALL LOG_SUBHEADING( OUTDEV, \"Aerosols\" )\n WRITE( OUTDEV, '(6x,A)' ),'--Env Variable-- | --Value--'\n WRITE( OUTDEV, '(6x,A)' ), REPEAT( '-',80 )\n END IF\n\n ! Get flag for interpreting initial condition aerosol size distributions as dry\n CALL GET_ENV ( IC_AERO_M2WET, 'IC_AERO_M2WET', IC_AERO_M2WET, VARDEV )\n\n ! Get flag for interpreting initial condition aerosol size distributions as dry\n CALL GET_ENV ( BC_AERO_M2WET, 'BC_AERO_M2WET', BC_AERO_M2WET, VARDEV )\n\n ! Get flag for using initial condition aerosol second moment\n CALL GET_ENV ( IC_AERO_M2USE, 'IC_AERO_M2USE', IC_AERO_M2USE, VARDEV )\n\n ! Get flag for using initial condition aerosol second moment\n CALL GET_ENV ( BC_AERO_M2USE, 'BC_AERO_M2USE', BC_AERO_M2USE, VARDEV )\n\n !-------------------------------------------------------------------------------------------------------\n !>> sulfur tracking option\n !-------------------------------------------------------------------------------------------------------\n\n ! Flag for sulfur tracking option\n CALL GET_ENV ( STM, 'STM_SO4TRACK', STM, VARDEV )\n\n IF ( STM ) THEN\n ! Get sulfur tracking normalization flag\n CALL GET_ENV ( ADJ_STMSPC, 'STM_ADJSO4', ADJ_STMSPC, VARDEV )\n END IF \n\n !-------------------------------------------------------------------------------------------------------\n !>> Cloud Parameters\n !-------------------------------------------------------------------------------------------------------\n\n IF ( MYPE .EQ. 0 ) THEN \n CALL LOG_SUBHEADING( OUTDEV, \"Cloud Processes\" )\n WRITE( OUTDEV, '(6x,A)' ),'--Env Variable-- | --Value--'\n WRITE( OUTDEV, '(6x,A)' ), REPEAT( '-',80 )\n END IF\n\n ! FLag for outputting cloud diagnostics\n CALL GET_ENV ( CLD_DIAG, 'CLD_DIAG', CLD_DIAG, VARDEV )\n\n !-------------------------------------------------------------------------------------------------------\n !>> Air-Surface Exchange Parameters\n !-------------------------------------------------------------------------------------------------------\n \n IF ( MYPE .EQ. 0 ) THEN \n CALL LOG_SUBHEADING( OUTDEV, \"Air-Surface Exchange Processes\" )\n WRITE( OUTDEV, '(6x,A)' ),'--Env Variable-- | --Value--'\n WRITE( OUTDEV, '(6x,A)' ), REPEAT( '-',80 )\n END IF\n\n ! Check if using PX version of MCIP\n CALL GET_ENV ( PX_LSM, 'PX_VERSION', PX_LSM, VARDEV )\n\n ! Flag for Ammonia bi-directional flux with in-line deposition \n ! velocities calculation\n CALL GET_ENV ( ABFLUX, 'CTM_ABFLUX', ABFLUX, VARDEV )\n\n ! Flag for Mosaic method to get land-use specific deposition velocities\n CALL GET_ENV ( MOSAIC, 'CTM_MOSAIC', MOSAIC, VARDEV )\n\n ! Flag for HONO interaction with leaf and building surfaces\n CALL GET_ENV ( SFC_HONO, 'CTM_SFC_HONO', SFC_HONO, VARDEV )\n \n ! Flag CLM LSM\n CALL GET_ENV ( CLM_LSM, 'CLM_VERSION', CLM_LSM, VARDEV )\n\n ! Flag for NOAH LSM\n CALL GET_ENV ( NOAH_LSM, 'NOAH_VERSION', NOAH_LSM, VARDEV )\n\n ! CTM_DEPV_FILE\n CALL GET_ENV ( DEPV_DIAG, 'CTM_DEPV_FILE', DEPV_DIAG, VARDEV )\n\n ! CTM_HGBIDI\n CALL GET_ENV ( HGBIDI, 'CTM_HGBIDI', HGBIDI, VARDEV )\n \n ! CTM_IGNORE_FERT_NH3\n CALL GET_ENV ( BIDI_FERT_NH3, 'CTM_BIDI_FERT_NH3', BIDI_FERT_NH3, VARDEV )\n \n ! Flag for using BELD Land Use for WindBlown Dust \n CALL GET_ENV ( STRTEMP, 'CTM_WBDUST_BELD', DUST_LAND_SCHEME, VARDEV )\n DUST_LAND_SCHEME = STRTEMP( 1:16)\n\n ! Get Name of STAGE Control File\n CALL GET_ENV ( STAGECTRL, 'STAGECTRL_NML', STAGECTRL, VARDEV )\n\n ! Flag for Surface Tiled Aerosol and Gaseous Exchange (STAGE) model Pleim et al. 2022 Aerosol Deposition Option\n CALL GET_ENV ( STAGE_P22, 'CTM_STAGE_P22', STAGE_P22, VARDEV )\n\n ! Flag for Surface Tiled Aerosol and Gaseous Exchange (STAGE) model Emerson et al. 2020 Aerosol Deposition Option\n CALL GET_ENV ( STAGE_E20, 'CTM_STAGE_E20', STAGE_E20, VARDEV )\n\n ! Flag for Surface Tiled Aerosol and Gaseous Exchange (STAGE) model Shu et al. 2022 (CMAQ v5.3) Aerosol Deposition Option\n CALL GET_ENV ( STAGE_S22, 'CTM_STAGE_S22', STAGE_S22, VARDEV )\n \n !-------------------------------------------------------------------------------------------------------\n !>> Transport Processes\n !-------------------------------------------------------------------------------------------------------\n\n IF ( MYPE .EQ. 0 ) THEN \n CALL LOG_SUBHEADING( OUTDEV, \"Transport Processes\" )\n WRITE( OUTDEV, '(6x,A)' ),'--Env Variable-- | --Value--'\n WRITE( OUTDEV, '(6x,A)' ), REPEAT( '-',80 )\n END IF\n\n ! Flag for writing vertical diffusion diagnostic file and possibly gravitational settling diagnostic file\n CALL GET_ENV ( VDIFFDIAG, 'VDIFF_DIAG_FILE', VDIFFDIAG, VARDEV )\n\n ! Get Minimum Layer for Advection Time Step Adjustment\n CALL GET_ENV ( SIGST, 'SIGMA_SYNC_TOP', SIGST, VARDEV )\n\n ! Get Maximum Horizontal Div Limit for Advection Adjustment\n CALL GET_ENV ( HDIV_LIM, 'ADV_HDIV_LIM', HDIV_LIM, VARDEV )\n\n ! CFL Criteria\n CALL GET_ENV ( CFL, 'CTM_ADV_CFL', CFL, VARDEV )\n\n ! CTM_KZMIN\n CALL GET_ENV ( MINKZ, 'KZMIN', MINKZ, VARDEV )\n\n ! CTM_WVEL\n#ifdef mpas\n W_VEL = .FALSE.\n#else\n CALL GET_ENV ( W_VEL, 'CTM_WVEL', W_VEL, VARDEV )\n#endif\n\n ! CTM_GRAV_SETL\n CALL GET_ENV ( GRAV_SETL, 'CTM_GRAV_SETL', GRAV_SETL, VARDEV )\n\n !-------------------------------------------------------------------------------------------------------\n !>> Emission Environment Variables \n !-------------------------------------------------------------------------------------------------------\n\n IF ( MYPE .EQ. 0 ) THEN \n CALL LOG_SUBHEADING( OUTDEV, \"Emissions Parameters\" )\n WRITE( OUTDEV, '(6x,A)' ),'--Env Variable-- | --Value--'\n WRITE( OUTDEV, '(6x,A)' ), REPEAT( '-',80 )\n END IF\n\n ! Number of Layers for Emissions\n CALL GET_ENV ( EMLAYS_MX, 'CTM_EMLAYS', EMLAYS_MX, VARDEV )\n\n ! Get Name of Emission Control File\n CALL GET_ENV ( MISC_CTRL, 'MISC_CTRL_NML', MISC_CTRL, VARDEV )\n CALL GET_ENV ( DESID_CTRL, 'DESID_CTRL_NML', DESID_CTRL, VARDEV )\n CALL GET_ENV ( DESID_CHEM_CTRL,'DESID_CHEM_CTRL_NML', DESID_CHEM_CTRL, VARDEV )\n\n ! Get number of different Gridded File Emissions Streams\n CALL GET_ENV ( N_FILE_GR, 'N_EMIS_GR', N_FILE_GR, VARDEV )\n \n ! Get number of different Gridded File Emissions Streams\n CALL GET_ENV ( N_FILE_TR, 'N_EMIS_TR', N_FILE_TR, VARDEV )\n\n ! Flag for checking emissions surrogates against species actually\n ! present on emissions files\n CALL GET_ENV ( EMISCHK, 'CTM_EMISCHK', EMISCHK, VARDEV )\n \n ! CTM_BIOGEMIS_BE\n CALL GET_ENV ( BIOGEMIS_BEIS, 'CTM_BIOGEMIS_BE', BIOGEMIS_BEIS, VARDEV )\n\n ! CTM_BIOGEMIS_MG\n CALL GET_ENV(BIOGEMIS_MEGAN, 'CTM_BIOGEMIS_MG', BIOGEMIS_MEGAN,VARDEV )\n CALL GET_ENV(USE_MEGAN_LAI, 'USE_MEGAN_LAI',USE_MEGAN_LAI,VARDEV )\n CALL GET_ENV(MGN_ONLN_DEP, 'MGN_ONLN_DEP',MGN_ONLN_DEP,VARDEV )\n CALL GET_ENV(BDSNP_MEGAN, 'BDSNP_MEGAN',BDSNP_MEGAN,VARDEV )\n\n ! Get the speciation profile to use\n CALL GET_ENV ( SPPRO, 'BIOG_SPRO', SPPRO, VARDEV )\n \n ! Biogenic Emission Diag File\n CALL GET_ENV ( BEMIS_DIAG, 'B3GTS_DIAG', BEMIS_DIAG, VARDEV )\n \n ! Get marine gas emission diagnostic output file flag.\n CALL GET_ENV ( MGEMDIAG, 'CTM_MGEMDIAG', MGEMDIAG, VARDEV )\n \n ! Flag for ocean halogen chemistry and sea spray aerosol emissions\n CALL GET_ENV ( OCEAN_CHEM, 'CTM_OCEAN_CHEM', OCEAN_CHEM, VARDEV )\n\n ! Flag for Online Calculation of Windblown dust emissions\n CALL GET_ENV ( WB_DUST, 'CTM_WB_DUST', WB_DUST, VARDEV )\n\n ! Get env var for diagnostic output\n CALL GET_ENV ( DUSTEM_DIAG, 'CTM_DUSTEM_DIAG', DUSTEM_DIAG, VARDEV )\n \n ! Get sea spray emission diagnostic output file flag.\n CALL GET_ENV ( SSEMDIAG, 'CTM_SSEMDIAG', SSEMDIAG, VARDEV )\n \n ! Set LTNG_NO to Y or T to turn on lightning NO production\n CALL GET_ENV ( LTNG_NO, 'CTM_LTNG_NO', LTNG_NO, VARDEV ) \n\n ! Get Lightning Input Time Interval\n CALL GET_ENV ( LT_ASM_DT, 'LTNG_ASSIM_DT', LT_ASM_DT, VARDEV ) \n\n ! Get Lightning NO File Name\n CALL GET_ENV ( LTNG_FNAME, 'LTNGNO', LTNG_FNAME, VARDEV )\n \n ! Flag for using NLDN data for Lightning Strikes\n CALL GET_ENV ( NLDNSTRIKE, 'USE_NLDN', NLDNSTRIKE, VARDEV )\n \n ! Flag for Outputing Lightning Diagnostic File\n CALL GET_ENV ( LTNGDIAG, 'LTNGDIAG', LTNGDIAG, VARDEV )\n \n ! Get Lightning NO Production Rate\n CALL GET_ENV ( MOLSNCG, 'MOLSNCG', 350.0, VARDEV )\n \n ! Get Lightning NO Production Rate\n CALL GET_ENV ( MOLSNIC, 'MOLSNIC', 350.0, VARDEV )\n \n ! get number of different file groups (sectors)\n CALL GET_ENV ( NPTGRPS, 'N_EMIS_PT', NPTGRPS, VARDEV )\n \n ! PT3DDIAG\n! CALL GET_ENV ( PT3DDIAG, 'PT3DDIAG', PT3DDIAG, VARDEV )\n\n ! PT3DFRAC\n! CALL GET_ENV ( PT3DFRAC, 'PT3DFRAC', PT3DFRAC, VARDEV )\n\n ! Point Source Time Steps\n! CALL GET_ENV ( PT_NSTEPS, 'LAYP_NSTEPS', PT_NSTEPS, VARDEV )\n\n ! Point Source Date\n! CALL GET_ENV ( PT_DATE, 'LAYP_STDATE', PT_DATE, VARDEV )\n\n ! Point Source Time\n! CALL GET_ENV ( PT_TIME, 'LAYP_STTIME', PT_TIME, VARDEV )\n\n ! IPVERT\n CALL GET_ENV ( IPVERT, 'IPVERT', IPVERT, VARDEV )\n\n ! REP_LAYR\n! CALL GET_ENV ( REP_LAYR, 'REP_LAYER_MIN', REP_LAYR, VARDEV )\n \n! ALLOCATE( PLAY_BASE( NPTGRPS ) )\n! PLAY_BASE( : ) = ''\n! DO NV = 1,NPTGRPS\n! WRITE( PBASE,'( \"PLAY_BASE\", \"_\", I2.2 )' ) NV\n! CALL GET_ENV ( STRTEMP, PBASE, PLAY_BASE( NV ), VARDEV )\n! PLAY_BASE( NV ) = STRTEMP\n! END DO\n \n ! Determine user-defined default for emissions date override for representative days\n CALL GET_ENV ( EMIS_SYM_DATE, 'EMIS_SYM_DATE', EMIS_SYM_DATE, VARDEV )\n \n !-------------------------------------------------------------------------------------------------------\n !>> Process Analysis\n !-------------------------------------------------------------------------------------------------------\n\n IF ( MYPE .EQ. 0 ) THEN \n CALL LOG_SUBHEADING( OUTDEV, \"Process Analysis Parameters\" )\n WRITE( OUTDEV, '(6x,A)' ),'--Env Variable-- | --Value--'\n WRITE( OUTDEV, '(6x,A)' ), REPEAT( '-',80 )\n END IF\n\n ! Flag for Using Process Analysis\n CALL GET_ENV ( PROCAN, 'CTM_PROCAN', PROCAN, VARDEV )\n \n ! Get the Beginning and Ending Columns for Process Analysis\n CALL GET_ENVLIST ( 'PA_BCOL_ECOL', NV, V_LIST2, VARDEV )\n IF ( NV .LE. 0 ) THEN \n PA_BEGCOL = 1; PA_ENDCOL = 0\n ELSE IF ( NV .EQ. 2 ) THEN\n READ( V_LIST2( 1 ), '( I4 )' ) PA_BEGCOL\n READ( V_LIST2( 2 ), '( I4 )' ) PA_ENDCOL\n ELSE \n XMSG = 'Environment variable error for PA_BCOL_ECOL'\n CALL M3EXIT( 'INIT_ENV_VARS', JDATE, JTIME, XMSG, EXIT_STATUS )\n END IF\n\n ! Get the Beginning and Ending Rows for Process Analysis\n CALL GET_ENVLIST ( 'PA_BROW_EROW', NV, V_LIST2, VARDEV )\n IF ( NV .LE. 0 ) THEN \n PA_BEGROW = 1; PA_ENDROW = 0\n ELSE IF ( NV .EQ. 2 ) THEN\n READ( V_LIST2( 1 ), '( I4 )' ) PA_BEGROW\n READ( V_LIST2( 2 ), '( I4 )' ) PA_ENDROW\n ELSE \n XMSG = 'Environment variable error for PA_BROW_EROW'\n CALL M3EXIT( 'INIT_ENV_VARS', JDATE, JTIME, XMSG, EXIT_STATUS )\n END IF\n\n ! Get the Beginning and Ending Layers for Process Analysis\n CALL GET_ENVLIST ( 'PA_BLEV_ELEV', NV, V_LIST2, VARDEV )\n IF ( NV .LE. 0 ) THEN \n PA_BEGLEV = 1; PA_ENDLEV = 0\n ELSE IF ( NV .EQ. 2 ) THEN\n READ( V_LIST2( 1 ), '( I4 )' ) PA_BEGLEV\n READ( V_LIST2( 2 ), '( I4 )' ) PA_ENDLEV\n ELSE \n XMSG = 'Environment variable error for PA_BLEV_ELEV'\n CALL M3EXIT( 'INIT_ENV_VARS', JDATE, JTIME, XMSG, EXIT_STATUS )\n END IF\n\n ! Get the Budget File Name\n CALL GET_ENV ( BUDGET_FNAME, 'CTM_BUDGET', BUDGET_FNAME, VARDEV )\n\n\n IF ( OCEAN_CHEM ) THEN\n IF ( (INDEX( MECHNAME, 'CB6R5M_AE7_AQ') .GT. 0 ) .OR. \n & (INDEX( MECHNAME, 'CB6R5_AE7_AQ' ) .GT. 0) ) then \n USE_MARINE_GAS_EMISSION = .TRUE.\n ENDIF\n ENDIF\n\n! for MPAS\n#ifdef mpas\n call get_env (ncd_64bit_offset, 'ncd_64bit_offset', .false., vardev)\n call get_env( cell_num, 'cell_num', 1, vardev)\n#else\n\n#ifdef twoway\n WRF_V4P = .TRUE.\n#else\n! to obtain WRF version information\n IF ( .NOT. OPEN3( MET_CRO_3D, FSREAD3, PNAME ) ) THEN\n XMSG = 'Could not open '// MET_CRO_3D // ' file'\n CALL M3EXIT ( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n\n IF ( .NOT. DESC3( MET_CRO_3D ) ) THEN\n XMSG = 'Could not get ' // MET_CRO_3D //' file description'\n CALL M3EXIT ( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n\n ! Get environ. variable met_tstep to control meteorology frequency\n CALL GET_ENV ( MET_TSTEP, 'MET_TSTEP', TSTEP3D, VARDEV)\n\n ! Ensure users cannot pick a met_tstep that is not smaller than the\n ! file time step and something that is not a multiple of that tstep\n \n IF (MOD(TIME2SEC(MET_TSTEP), TIME2SEC(TSTEP3D)) .NE. 0) then\n XMSG = 'MET_TSTEP environmental variable not equal to or a \n & multiple greater than time step of met file ' // MET_CRO_3D\n CALL M3EXIT(PNAME, 0, 0, XMSG, XSTAT1)\n end if \n\n FOUND = .FALSE.\n NV = 0\n Do WHILE ((.NOT. FOUND) .AND. (NV .LT. MXDESC3))\n NV = NV + 1\n LOC = INDEX (FDESC3D(NV), 'WRF ARW V')\n IF (LOC > 0) THEN\n FOUND = .TRUE.\n STR_LEN = LEN_TRIM(FDESC3D(NV))\n READ (FDESC3D(NV)(LOC+9:STR_LEN), *) WRF_VERSION\n IF (WRF_VERSION .GE. '4.1') THEN\n WRF_V4P = .TRUE.\n END IF\n END IF\n END DO\n\n XMSG = 'MET data determined based on WRF ARW version '\n IF( MYPE .EQ. 0 ) THEN\n WRITE(OUTDEV,'(/,5X,2(A,1X),/)')TRIM( XMSG ), TRIM( FDESC3D(NV)(LOC+9:STR_LEN) )\n WRITE(LOGDEV,'(/,5X,2(A,1X),/)')TRIM( XMSG ), TRIM( FDESC3D(NV)(LOC+9:STR_LEN) )\n ELSE\n WRITE(LOGDEV,'(/,5X,2(A,1X),/)')TRIM( XMSG ), TRIM( FDESC3D(NV)(LOC+9:STR_LEN) )\n END IF\n\n IF ( .NOT. CLOSE3( MET_CRO_3D ) ) THEN\n XMSG = 'Could not close ' // MET_CRO_3D\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n#endif\n\n#endif\n\n END SUBROUTINE INIT_ENV_VARS\n\n!.........................................................................\n SUBROUTINE LOG_HEADING( FUNIT, CHEAD_IN )\n\n! Formats and writes a user-supplied heading to a specific log file.\n! This approach is intended to standardize the log files that are\n! created by CMAQ. The length of the input array is set at 80 because\n! we would like to try limiting lines to 80 characters and a heading\n! should probably just be one line.\n!.........................................................................\n\n#ifdef mpas\n use util_module\n#endif\n\n IMPLICIT NONE\n\n INTEGER, INTENT( IN ) :: FUNIT\n CHARACTER( * ), INTENT( IN ) :: CHEAD_IN\n CHARACTER( len=: ), ALLOCATABLE :: CHEAD\n CHARACTER( 20 ) :: FMT\n CHARACTER( 20 ) :: FMT2\n INTEGER :: LDASH\n\n ! Capitalize the heading\n CHEAD = CHEAD_IN\n CALL UPCASE( CHEAD )\n\n ! Write the heading to the log file\n WRITE( FUNIT, * )\n WRITE( FMT, '(\"(\", I0, \"x,A,A,A)\")' ) LOG_MAJOR_TAB\n WRITE( FMT2,'(\"(\", I0, \"x,A,)\")' ) LOG_MAJOR_TAB\n\n LDASH = 2*8 + LEN_TRIM( CHEAD )\n WRITE( FUNIT, FMT2 ), REPEAT( '=', LDASH )\n WRITE( FUNIT, FMT ),\n & '|>--- ',TRIM( CHEAD ),' ---<|'\n WRITE( FUNIT, FMT2 ), REPEAT( '=', LDASH )\n\n END SUBROUTINE LOG_HEADING\n \n!.........................................................................\n SUBROUTINE LOG_SUBHEADING( FUNIT, CHEAD )\n\n! Formats and writes a user-supplied sub-heading to a specific log file.\n! This approach is intended to standardize the log files that are\n! created by CMAQ. The length of the input array is set at 80 because\n! we would like to try limiting lines to 80 characters and a sub-heading\n! should probably just be one line.\n!.........................................................................\n\n IMPLICIT NONE\n\n INTEGER, INTENT( IN ) :: FUNIT\n CHARACTER( * ), INTENT( IN ) :: CHEAD\n CHARACTER( 20 ) :: FMT\n INTEGER :: LDASH\n\n ! Write the sub-heading to the log file\n WRITE( FMT, '(\"(/,\", I0, \"x,A,A,A)\")' ) LOG_MAJOR_TAB\n WRITE( FUNIT, FMT ),'|> ',TRIM( CHEAD ),':'\n LDASH = 2*3 - 1 + LEN_TRIM( CHEAD )\n\n WRITE( FMT, '(\"(\", I0, \"x,A,A)\")' ) LOG_MAJOR_TAB\n WRITE( FUNIT, FMT ) '+',REPEAT( '=', LDASH )\n\n END SUBROUTINE LOG_SUBHEADING\n \n!.........................................................................\n SUBROUTINE LOG_MESSAGE( FUNIT, CMSG_IN )\n\n! Formats and writes a user-supplied message to a specific log file.\n! This approach is intended to standardize the log files that are\n! created by CMAQ.\n!.........................................................................\n\n IMPLICIT NONE\n\n INTEGER, INTENT( IN ) :: FUNIT\n CHARACTER( * ), INTENT( IN ) :: CMSG_IN\n CHARACTER( len=: ), ALLOCATABLE :: CMSG\n CHARACTER( 20 ) :: FMT\n\n CHARACTER( LOG_LINE_LENGTH ) :: CTEMP\n INTEGER :: MSG_SIZE\n INTEGER :: NLINE1, NLINE2, NLINE, NTAB, LAST_SPACE\n\n CMSG = CMSG_IN\n\n ! Write the message to the log file, while trimming to 80\n ! characters (while accounting for tab-length)\n NLINE1 = LOG_LINE_LENGTH - LOG_MAJOR_TAB\n NLINE2 = LOG_LINE_LENGTH - LOG_MAJOR_TAB - LOG_MINOR_TAB\n NLINE = NLINE1\n NTAB = LOG_MAJOR_TAB\n \n ! Determine Length of Total Message\n MSG_SIZE = LEN_TRIM( CMSG )\n \n DO WHILE ( MSG_SIZE .GT. LOG_LINE_LENGTH )\n ! Isolate One Line of Text\n LAST_SPACE = INDEX( CMSG( 1:NLINE+1 ), \" \", BACK=.TRUE. )\n \n CTEMP = CMSG( 1:LAST_SPACE-1 )\n\n WRITE( FMT, '(\"(\", I0, \"x,A)\")' ) NTAB\n WRITE( FUNIT, FMT ), CTEMP\n\n CMSG = CMSG( LAST_SPACE+1:LEN( CMSG ) )\n MSG_SIZE = LEN_TRIM( CMSG )\n\n IF ( NTAB .EQ. LOG_MAJOR_TAB ) NTAB = NTAB + LOG_MINOR_TAB\n IF ( NLINE.EQ. NLINE1 ) NLINE = NLINE2\n END DO\n\n ! Write Last Line\n WRITE( FMT, '(\"(\", I0, \"x,A)\")' ) NTAB\n WRITE( FUNIT, FMT ), TRIM( CMSG )\n\n\n END SUBROUTINE LOG_MESSAGE\n!.........................................................................\n REAL( 8 ) FUNCTION SET_CPU_TIMING()\n\n! Function set cpu time\n \n IMPLICIT NONE\n\n#ifdef parallel\n INCLUDE 'mpif.h'\n#endif\n \n ! local: \n REAL( 8 ) :: CPU_TIME_FINISH\n#ifndef parallel\n REAL :: REAL_TIME\n#endif\n \n#ifdef parallel\n SET_CPU_TIMING = MPI_WTIME()\n#else\n CALL CPU_TIME( REAL_TIME )\n SET_CPU_TIMING = REAL( REAL_TIME,8 )\n#endif\n \n END FUNCTION SET_CPU_TIMING\n!.........................................................................\n SUBROUTINE TIMING_DELTA( CPU_TIME_START, CPU_TIME_DELTA )\n \n IMPLICIT NONE\n\n#ifdef parallel\n INCLUDE 'mpif.h'\n#endif\n REAL( 8 ), INTENT( INOUT ) :: CPU_TIME_START\n REAL( 8 ), INTENT( INOUT ) :: CPU_TIME_DELTA\n \n ! local: \n REAL( 8 ) :: CPU_TIME_FINISH\n#ifndef parallel\n REAL :: REAL_TIME\n#endif\n\n! This subroutine calculates and returns elapsed time from CPU_TIME_START\n! as an update to CPU_TIME_DELTA so total time expense can be determine\n! for code block in a cyclng loop.\n! It also resets CPU_TIME_START to current CPU time.\n\n#ifdef parallel\n CPU_TIME_FINISH = MPI_WTIME()\n#else\n CALL CPU_TIME( REAL_TIME )\n CPU_TIME_FINISH = REAL( REAL_TIME,8 )\n#endif\n CPU_TIME_DELTA = CPU_TIME_DELTA + (CPU_TIME_FINISH-CPU_TIME_START)\n\n#ifdef parallel \n CPU_TIME_START = MPI_WTIME()\n#else\n CALL CPU_TIME( REAL_TIME )\n CPU_TIME_START = REAL( REAL_TIME,8 )\n#endif\n \n END SUBROUTINE TIMING_DELTA\n\n!.........................................................................\n SUBROUTINE TIMING_SPLIT( CPU_TIME_START, IMSG, CPROCIN )\n\n! This subroutine provides a split for the MPI timing functions and\n! then prints out a message for how much time has passed using a\n! character string input for customizing that message. \n!.........................................................................\n \n IMPLICIT NONE\n\n#ifdef parallel\n INCLUDE 'mpif.h'\n#endif\n REAL( 8 ), INTENT( INOUT ) :: CPU_TIME_START\n INTEGER, INTENT( IN ) :: IMSG ! What kind of checkpoint this is\n CHARACTER( * ), INTENT(IN), OPTIONAL :: CPROCIN\n \n! local: \n REAL( 8 ) :: CPU_TIME_FINISH\n ! 1 = 'PROCESS'\n ! 2 = 'MASTER TIME STEP'\n ! 3 = 'OUTPUT'\n CHARACTER( len=: ), ALLOCATABLE :: CPROC\n CHARACTER( 250 ) :: XMSG\n\n#ifndef parallel\n REAL :: REAL_TIME\n#endif\n\n\n IF ( PRESENT( CPROCIN ) ) THEN\n CPROC = CPROCIN\n ELSE\n CPROC = ' '\n END IF\n \n ! Record Time at this Checkpoint\n#ifdef parallel\n CPU_TIME_FINISH = MPI_WTIME()\n#else\n CALL CPU_TIME( REAL_TIME )\n CPU_TIME_FINISH = REAL( REAL_TIME,8 )\n#endif\n\n\n ! Assemble the statement requested by the calling program\n SELECT CASE ( IMSG )\n CASE ( 1 )\n ! Write Out The Time to Complete Each Sub-Process\n WRITE( XMSG, 1002 ),TRIM( CPROC ), CPU_TIME_FINISH-CPU_TIME_START\n1002 FORMAT ( 2x, A15, ' completed... ', F12.4, ' seconds' )\n\n CASE ( 2 ) \n ! Write out the time to complete the entire master time step\n WRITE( XMSG, '(7x,A16)' ),'Master Time Step'\n CALL LOG_MESSAGE( LOGDEV, XMSG )\n#ifndef twoway\n IF ( MYPE .EQ. 0 ) CALL LOG_MESSAGE( OUTDEV, XMSG )\n#endif\n WRITE( XMSG, '(7x,A24,F12.4,A8)' ),'Processing completed... ',\n & (CPU_TIME_FINISH-CPU_TIME_START),' seconds'\n CALL LOG_MESSAGE( LOGDEV, XMSG )\n WRITE( LOGDEV, * )\n\n CASE ( 3 ) \n ! Write out the time to complete the output procedure\n WRITE( XMSG, '(1x,A32,F10.4,A)' ), '=--> Data Output completed... ',\n & (CPU_TIME_FINISH-CPU_TIME_START),' seconds'\n CALL LOG_MESSAGE( LOGDEV, XMSG )\n WRITE( LOGDEV, * )\n#ifndef twoway\n IF ( MYPE .EQ. 0 ) WRITE( OUTDEV, * )\n \n#endif\n CASE( 4 )\n \n END SELECT \n\n ! Write out the timing statement\n#ifndef twoway\n IF ( MYPE .EQ. 0 ) CALL LOG_MESSAGE( OUTDEV, XMSG )\n#endif\n#ifdef parallel \n CPU_TIME_START = MPI_WTIME()\n#else\n CALL CPU_TIME( REAL_TIME )\n CPU_TIME_START = REAL( REAL_TIME,8 )\n#endif\n END SUBROUTINE TIMING_SPLIT \n \n END MODULE RUNTIME_VARS\n" }, { "path": "CCTM/src/util/util/UTILIO_DEFN.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC....................................................................\nC CONTAINS: This module provides the interface to the Models3 IOAPI\nC using the M3UTILIO module. For parallel implementation of CMAQ, \nC several IOAPI routines are replaced with PARIO versions. For\nC example, the IOAPI function WRITE3 is renamed to an unused \nC function name \"EXCLUDE_WRITE3\", and the PARIO function PWRITE3\nC is aliased to WRITE3. So when WRITE3 is used in CMAQ, then the\nC PARIO function PWRITE3 is accessed. This approach allows\nC flexibility in naming within CMAQ and eliminated the usage of\nC \"cpp\" flags to achieve the function overloading.\nC \nC REVISION HISTORY:\nC Original version 03/2011 by Shawn Roselle\nC 08/2011 by David Wong\nC -- extended to handle buffer file\nC 08/2015 by David Wong\nC -- defined WRITE3 under parallel I/O\nC implementation\nC 02/2019 by David Wong\nC -- removed INTERPB declaration which is\nC not needed with centralized I/O\nC implementation\nC....................................................................\n\n MODULE UTILIO_DEFN\n\n#ifdef mpas\n use util_module\n use mio_module\n \n use prog_interrupt_module, M3WARN => prog_interrupt_warning,\n & M3EXIT => prog_interrupt_exit,\n & M3MESG => prog_interrupt_msg,\n & M3MSG2 => prog_interrupt_msg,\n & m3parag => prog_interrupt_nmsgs\n\n\n INTEGER, PARAMETER :: XSTAT1 = 1\n INTEGER, PARAMETER :: XSTAT2 = 1\n INTEGER, PARAMETER :: XSTAT3 = 1\n\n#else\n\n#ifdef parallel\n\n USE M3UTILIO, EXCLUDE_INTERPB => INTERP3,\n & EXCLUDE_M3EXIT => M3EXIT,\n & EXCLUDE_M3WARN => M3WARN,\n & EXCLUDE_SHUT3 => SHUT3,\n & EXCLUDE_WRITE3 => WRITE3,\n & BUF_WRITE3 => WRITE3\n\n USE PARUTILIO, \n & M3ERR => PM3ERR,\n & M3EXIT => PM3EXIT,\n & M3WARN => PM3WARN,\n#ifdef parallel_io\n & SHUT3 => PSHUT3\n\n LOGICAL, EXTERNAL :: WRITE3\n#else\n & SHUT3 => PSHUT3,\n & WRITE3 => PWRITE3\n#endif\n#else\n USE M3UTILIO, INTERPB => INTERP3\n#endif\n\n#endif\n\n END MODULE UTILIO_DEFN\n" }, { "path": "CCTM/src/util/util/cksummer.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE CKSUMMER ( SCIPROC, CGRID, JDATE, JTIME )\n\nC Function:\nC Sum concentrations over entire grid.\n\nC Revision History:\nC Original version ???\nC 2 October, 1998 by Al Bourgeois at LM: parallel implementation\nC and fix bug by SAVEing DEVNAME.\n\nC 1/22/99 David Wong at LM: compute global sum for variables: GC_CKSUM,\nC AE_CKSUM, NR_CKSUM, and TR_CKSUM\n\nC 1/28/99 David Wong at LM: compute global sum for GCELLS\n\nC 15 Dec 00 J.Young: move CGRID_MAP into f90 module\nC GLOBAL_RSUM -> Dave Wong`s f90 stenex GLOBAL_SUM\nC Jeff - Feb 01 - assumed shape arrays\nC 23 Mar 01 J.Young: Use HGRD_DEFN\nC 31 May 02 J.Young: REAL*8 reduction accumulator (avoid 32 bit roundoff)\nC 31 Jan 05 J.Young: dyn alloc - establish both horizontal & vertical\nC domain specifications in one module\nC 4 Feb 08 J.Young: checksums based on local processor\nC 21 Jun 10 J.Young: convert for Namelist redesign\nC 16 Feb 11 S.Roselle: replaced I/O API include files with UTILIO_DEFN;\nC removed deprecated TRIMLEN\nC 10 Aug 11 David Wong: reset output format 1PEw.d to meet the standard\nC w-d > 6\nC 9 Apr 15 J.Bash: Use F90 MINVAL to speed up execution\nC 18 Mar 16 J.Young: Add \"INTENT\" attribute; remove commented out code;\nC rearrange logic for efficiency\nC-----------------------------------------------------------------------\n\n USE GRID_CONF, ONLY: NCOLS, NROWS, NLAYS\n USE CGRID_SPCS, ONLY: N_GC_SPC, GC_STRT, GC_SPC, \n & N_AE_SPC, AE_STRT, AE_SPC,\n & N_NR_SPC, NR_STRT, NR_SPC,\n & N_TR_SPC, TR_STRT, TR_SPC\n USE RUNTIME_VARS, ONLY: LOGDEV, OUTDEV, CMYPE, APPL_NAME\n\n USE UTILIO_DEFN\n#ifndef mpas\n#ifdef parallel\n USE SE_MODULES ! stenex (using SE_GLOBAL_SUM_MODULE)\n#else\n USE NOOP_MODULES ! stenex (using NOOP_GLOBAL_SUM_MODULE)\n#endif\n#endif\n\n IMPLICIT NONE\n\nC Arguments:\n\n CHARACTER( * ), INTENT( IN ) :: SCIPROC ! science process name\n REAL, POINTER :: CGRID( :,:,:,: )\n INTEGER, INTENT( IN ) :: JDATE ! current model date, coded YYYYDDD\n INTEGER, INTENT( IN ) :: JTIME ! current model time, coded HHMMSS\n\nC Parameters:\n\n REAL, PARAMETER :: CMIN = 0.0\n\nC Local variables:\n \n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n\n CHARACTER( 16 ), SAVE :: PNAME = 'CKSUMMER'\n CHARACTER( 6 ) :: PRESTR = 'FLOOR_'\n CHARACTER( 96 ), SAVE :: DEVNAME ! Name of output file.\n\n INTEGER, SAVE :: FLOORDEV ! FORTRAN unit number for neg conc ascii file\n\n LOGICAL :: RDONLY = .FALSE.\n LOGICAL :: FMTTED = .TRUE.\n\n INTEGER S, V, L, C, R\n REAL( 8 ) :: DBL_CKSUM\n REAL GC_CKSUM, AE_CKSUM, NR_CKSUM, TR_CKSUM\n REAL, SAVE :: LCELLS\n\n LOGICAL, SAVE :: OPFLG = .TRUE. ! open file flag\n LOGICAL EXFLG ! write header flag\n\nC-----------------------------------------------------------------------\n\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n\n LCELLS = FLOAT( NCOLS * NROWS * NLAYS )\n DEVNAME = PRESTR // CMYPE // '.' // TRIM( APPL_NAME )\n\n END IF\n\n IF ( MINVAL( CGRID ) .LT. CMIN ) THEN\n\n EXFLG = .TRUE.\n\n DBL_CKSUM = 0.0\n IF ( N_GC_SPC .GT. 0 ) THEN\n\n V = 0\n DO S = GC_STRT, GC_STRT - 1 + N_GC_SPC\n V = V + 1\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n DBL_CKSUM = DBL_CKSUM + CGRID( C,R,L,S )\n IF ( CGRID( C,R,L,S ) .LT. CMIN ) THEN\n IF ( EXFLG ) THEN\n EXFLG = .FALSE.\n IF ( OPFLG ) THEN ! open output ASCII file\n OPFLG = .FALSE.\n FLOORDEV = GETEFILE ( DEVNAME, RDONLY, FMTTED, PNAME )\n END IF\n WRITE( FLOORDEV,1001 ) CMIN, SCIPROC\n END IF\n WRITE( FLOORDEV,1003 ) JDATE, JTIME, C, R, L, S,\n & GC_SPC( V ), CGRID( C,R,L,S )\n CGRID( C,R,L,S ) = CMIN\n END IF\n END DO\n END DO\n END DO\n END DO\n\n GC_CKSUM = REAL( DBL_CKSUM, 4 )\n \n ELSE\n\n GC_CKSUM = 0.0\n \n END IF\n \n DBL_CKSUM = 0.0\n IF ( N_AE_SPC .GT. 0 ) THEN\n\n V = 0\n DO S = AE_STRT, AE_STRT - 1 + N_AE_SPC\n V = V + 1\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n DBL_CKSUM = DBL_CKSUM + CGRID( C,R,L,S )\n IF ( CGRID( C,R,L,S ) .LT. CMIN ) THEN\n IF ( EXFLG ) THEN\n EXFLG = .FALSE.\n IF ( OPFLG ) THEN ! open output ASCII file\n OPFLG = .FALSE.\n FLOORDEV = GETEFILE ( DEVNAME, RDONLY, FMTTED, PNAME )\n END IF\n WRITE( FLOORDEV,1001 ) CMIN, SCIPROC\n END IF\n WRITE( FLOORDEV,1003 ) JDATE, JTIME, C, R, L, S,\n & AE_SPC( V ), CGRID( C,R,L,S )\n CGRID( C,R,L,S ) = CMIN\n END IF\n END DO\n END DO\n END DO\n END DO\n\n AE_CKSUM = REAL( DBL_CKSUM, 4 )\n \n ELSE\n\n AE_CKSUM = 0.0\n \n END IF\n\n DBL_CKSUM = 0.0\n IF ( N_NR_SPC .GT. 0 ) THEN\n \n V = 0\n DO S = NR_STRT, NR_STRT - 1 + N_NR_SPC\n V = V + 1\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n DBL_CKSUM = DBL_CKSUM + CGRID( C,R,L,S )\n IF ( CGRID( C,R,L,S ) .LT. CMIN ) THEN\n IF ( EXFLG ) THEN\n EXFLG = .FALSE.\n IF ( OPFLG ) THEN ! open output ASCII file\n OPFLG = .FALSE.\n FLOORDEV = GETEFILE ( DEVNAME, RDONLY, FMTTED, PNAME )\n END IF\n WRITE( FLOORDEV,1001 ) CMIN, SCIPROC\n END IF\n WRITE( FLOORDEV,1003 ) JDATE, JTIME, C, R, L, S,\n & NR_SPC( V ), CGRID( C,R,L,S )\n CGRID( C,R,L,S ) = CMIN\n END IF\n END DO\n END DO\n END DO\n END DO\n\n NR_CKSUM = REAL( DBL_CKSUM, 4 )\n \n ELSE\n\n NR_CKSUM = 0.0\n \n END IF\n \n DBL_CKSUM = 0.0\n IF ( N_TR_SPC .GT. 0 ) THEN\n \n V = 0\n DO S = TR_STRT, TR_STRT - 1 + N_TR_SPC\n V = V + 1\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n DBL_CKSUM = DBL_CKSUM + CGRID( C,R,L,S )\n IF ( CGRID( C,R,L,S ) .LT. CMIN ) THEN\n IF ( EXFLG ) THEN\n EXFLG = .FALSE.\n IF ( OPFLG ) THEN ! open output ASCII file\n OPFLG = .FALSE.\n FLOORDEV = GETEFILE ( DEVNAME, RDONLY, FMTTED, PNAME )\n END IF\n WRITE( FLOORDEV,1001 ) CMIN, SCIPROC\n END IF\n WRITE( FLOORDEV,1003 ) JDATE, JTIME, C, R, L, S,\n & TR_SPC( V ), CGRID( C,R,L,S )\n CGRID( C,R,L,S ) = CMIN\n END IF\n END DO\n END DO\n END DO\n END DO\n\n TR_CKSUM = REAL( DBL_CKSUM, 4 )\n \n ELSE\n\n TR_CKSUM = 0.0\n \n END IF\n\n ELSE ! MINVAL( CGRID ) .GE. CMIN\n\n GC_CKSUM = SUM( CGRID( :,:,:,GC_STRT : ( GC_STRT - 1 + N_GC_SPC ) ) ) \n AE_CKSUM = SUM( CGRID( :,:,:,AE_STRT : ( AE_STRT - 1 + N_AE_SPC ) ) ) \n NR_CKSUM = SUM( CGRID( :,:,:,NR_STRT : ( NR_STRT - 1 + N_NR_SPC ) ) ) \n IF ( N_TR_SPC .GT. 0 ) THEN\n TR_CKSUM = SUM( CGRID( :,:,:,TR_STRT : ( TR_STRT - 1 + N_TR_SPC ) ) ) \n END IF\n \n END IF\n\n IF ( N_TR_SPC .EQ. 0 ) THEN\n WRITE( LOGDEV,1005 ) SCIPROC,\n & GC_CKSUM / LCELLS,\n & AE_CKSUM / LCELLS,\n & NR_CKSUM / LCELLS\n IF ( ( GC_CKSUM .NE. GC_CKSUM ) .OR. ( GC_CKSUM*2. .EQ. GC_CKSUM ) .OR.\n & ( AE_CKSUM .NE. AE_CKSUM ) .OR. ( AE_CKSUM*2. .EQ. AE_CKSUM ) .OR.\n & ( NR_CKSUM .NE. NR_CKSUM ) .OR. ( NR_CKSUM*2. .EQ. NR_CKSUM ) ) THEN\n WRITE( OUTDEV, '(7x,A,A)' ),'NaN or Infinity detected on processor ',TRIM(CMYPE)\n WRITE( OUTDEV,1008 ) SCIPROC,GC_CKSUM/LCELLS,AE_CKSUM/LCELLS,NR_CKSUM/LCELLS\n CALL M3EXIT( PNAME, jdate, jtime,'NaN or Infinity detected in '//SCIPROC, 1 )\n END IF\n \n ELSE\n WRITE( LOGDEV,1007 ) SCIPROC,\n & GC_CKSUM / LCELLS,\n & AE_CKSUM / LCELLS,\n & NR_CKSUM / LCELLS,\n & TR_CKSUM / LCELLS\n IF ( ( GC_CKSUM .NE. GC_CKSUM ) .OR. ( GC_CKSUM*2. .EQ. GC_CKSUM ) .OR.\n & ( AE_CKSUM .NE. AE_CKSUM ) .OR. ( AE_CKSUM*2. .EQ. AE_CKSUM ) .OR.\n & ( NR_CKSUM .NE. NR_CKSUM ) .OR. ( NR_CKSUM*2. .EQ. NR_CKSUM ) .OR.\n & ( TR_CKSUM .NE. TR_CKSUM ) .OR. ( TR_CKSUM*2. .EQ. TR_CKSUM ) ) THEN\n WRITE( OUTDEV, '(7x,A,A)' ),'NaN or Infinity detected on processor ',TRIM(CMYPE)\n WRITE( OUTDEV,1009 ) SCIPROC,GC_CKSUM/LCELLS,AE_CKSUM/LCELLS,NR_CKSUM/LCELLS,TR_CKSUM/LCELLS\n CALL M3EXIT( PNAME, jdate, jtime,'NaN or Infinity detected in '//SCIPROC, 1 )\n END IF\n END IF\n\n RETURN\n\n1001 FORMAT( 5X, 'Concentrations less than, but reset to', 1PE11.3,\n & 1X, 'in', A16\n & / 9X, 'Date:Time',\n & 5X, 'Col', 2X, 'Row', 1X, 'Layer', 1X, 'Species',\n & 13X, 'Value before reset' )\n\n1003 FORMAT( 5X, I8, ':', I6.6, 4I5, 1X, '(', A16, ')', 1PE12.3)\n\n1005 FORMAT( 5X, 'After',\n & 1X, A12, 1X, ': Gas ', 1PE10.3,\n & 1X, ' | Aer ', 1PE10.3,\n & 1X, ' | Non ', 1PE10.3 )\n\n1007 FORMAT( 5X, 'After',\n & 1x, A12, 1X, ': Gas ', 1PE10.3,\n & 1X, ' | Aer ', 1PE10.3,\n & 1X, ' | Non ', 1PE10.3,\n & 1X, ' | Trc ', 1PE10.3 )\n \n1008 FORMAT( 7X, 'During',\n & 1X, A12, 1X, ': Gas ', 1PE10.3,\n & 1X, ' | Aer ', 1PE10.3,\n & 1X, ' | Non ', 1PE10.3 )\n\n1009 FORMAT( 7X, 'During',\n & 1x, A12, 1X, ': Gas ', 1PE10.3,\n & 1X, ' | Aer ', 1PE10.3,\n & 1X, ' | Non ', 1PE10.3,\n & 1X, ' | Trc ', 1PE10.3 )\n \n END\n" }, { "path": "CCTM/src/util/util/findex.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n INTEGER FUNCTION FINDEX (INDX, N, NLIST)\n\nC Searches for INDX in list NLIST and returns the subscript\nC (1...N) at which it is found, or returns 0 if INDX not found\n\n IMPLICIT NONE\n \n INTEGER INDX ! index being searched for\n INTEGER N ! Length of array to be searched\n INTEGER NLIST(*) ! array to be searched\n\n INTEGER I\n\n DO I = 1, N\n IF ( INDX .EQ. NLIST( I ) ) THEN ! found\n FINDEX = I\n RETURN\n END IF\n END DO\n FINDEX = 0 ! not found\n RETURN\n\n END\n\n" }, { "path": "CCTM/src/util/util/get_env_mod.F90", "content": "!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n module get_env_module\n\n! Function: get environment variables\n\n! Revision History:\n! 2010 D.Wong: initial implementation\n! 2 Feb 2010 D.Wong: provided an optional outputing device option,\n! absorbed get_envlist function\n\n implicit none\n\n integer, parameter :: max_str_len = 10000\n\n character (max_str_len) :: loc_str\n\n interface get_env\n module procedure get_env_int, &\n get_env_float, &\n get_env_double, &\n get_env_char, &\n get_env_logical\n end interface\n\n contains\n\n! --------------------------------------------------------------------------------\n subroutine get_env_int (env_value, env_var, default_env_value, logdev)\n\n integer, intent(out) :: env_value\n character (*), intent(in) :: env_var\n integer, intent(in) :: default_env_value\n integer, intent(in), optional :: logdev\n\n integer :: loc_logdev\n logical :: default, regular\n\n call getenv (env_var, loc_str)\n\n if (present(logdev)) then\n loc_logdev = logdev\n else\n loc_logdev = 6\n end if\n\n regular = .false.\n default = .false.\n\n if (len(trim(loc_str)) == 0) then\n env_value = default_env_value\n default = .true.\n else\n read (loc_str, *) env_value\n regular = .true.\n end if\n\n if ( loc_logdev .gt. 0 ) then\n if (default) then\n write( loc_logdev, '(A21,2x,A,2x,i10, 1x, a9)' ), env_var,'|', env_value, '(default)'\n else if (regular) then\n write( loc_logdev, '(A21,2x,A,2x,i10)' ), env_var,'|', env_value\n end if\n end if\n\n end subroutine get_env_int\n\n! --------------------------------------------------------------------------------\n subroutine get_env_float (env_value, env_var, default_env_value, logdev)\n\n real, intent(out) :: env_value\n character (*), intent(in) :: env_var\n real, intent(in) :: default_env_value\n integer, intent(in), optional :: logdev\n\n integer :: loc_logdev\n logical :: default, regular\n\n call getenv (env_var, loc_str)\n\n if (present(logdev)) then\n loc_logdev = logdev\n else\n loc_logdev = 6\n end if\n\n regular = .false.\n default = .false.\n\n if (len(trim(loc_str)) == 0) then\n env_value = default_env_value\n default = .true.\n else\n read (loc_str, *) env_value\n regular = .true.\n end if\n\n if ( loc_logdev .gt. 0 ) then\n if (default) then\n write( loc_logdev, '(A21,2x,A,2x,e10.3, 1x, a9)' ), env_var,'|', env_value, '(default)'\n else if (regular) then\n write( loc_logdev, '(A21,2x,A,2x,e10.3)' ), env_var,'|', env_value\n end if\n end if\n\n end subroutine get_env_float\n\n! --------------------------------------------------------------------------------\n subroutine get_env_double (env_value, env_var, default_env_value, logdev)\n\n real (8), intent(out) :: env_value\n character (*), intent(in) :: env_var\n real (8), intent(in) :: default_env_value\n integer, intent(in), optional :: logdev\n\n integer :: loc_logdev\n logical :: default, regular\n\n call getenv (env_var, loc_str)\n\n if (present(logdev)) then\n loc_logdev = logdev\n else\n loc_logdev = 6\n end if\n\n regular = .false.\n default = .false.\n\n if (len(trim(loc_str)) == 0) then\n env_value = default_env_value\n default = .true.\n else\n read (loc_str, *) env_value\n regular = .true.\n end if\n\n if ( loc_logdev .gt. 0 ) then\n if (default) then\n write( loc_logdev, '(A21,2x,A,2x,e10.3, 1x, a9)' ), env_var,'|', env_value, '(default)' \n else if (regular) then\n write( loc_logdev, '(A21,2x,A,2x,e10.3)' ), env_var,'|', env_value\n end if\n end if\n\n end subroutine get_env_double\n\n! --------------------------------------------------------------------------------\n subroutine get_env_char (env_value, env_var, default_env_value, logdev)\n\n character (*), intent(out) :: env_value\n character (*), intent(in) :: env_var\n character (*), intent(in) :: default_env_value\n integer, intent(in), optional :: logdev\n\n integer :: loc_logdev, length\n logical :: default, regular\n character (50) :: myfmt\n\n call getenv (env_var, loc_str)\n\n if (present(logdev)) then\n loc_logdev = logdev\n else\n loc_logdev = 6\n end if\n\n regular = .false.\n default = .false.\n\n if (len(trim(loc_str)) == 0) then\n env_value = default_env_value\n default = .true.\n else\n env_value = loc_str\n regular = .true.\n end if\n\n if ( loc_logdev .gt. 0 ) then\n length = len_trim(env_value)\n if (default) then\n if (length .eq. 0) then\n write( loc_logdev, '(A21, 2x, A, 13x, a9)') env_var, '|', '(default)'\n else\n write (myfmt, '(a18, i3.3, a9)') '(A21, 2x, A, 2x, A', length, ', 1x, a9)'\n write( loc_logdev, myfmt) env_var, '|', env_value, '(default)'\n end if\n else if (regular) then\n write (myfmt, '(a18, i3.3, a1)') '(A21, 2x, A, 2x, A', length, ')'\n write( loc_logdev, myfmt) env_var,'|', env_value\n end if\n end if\n\n end subroutine get_env_char\n\n! --------------------------------------------------------------------------------\n subroutine get_env_logical (env_value, env_var, default_env_value, logdev)\n\n logical, intent(out) :: env_value\n character (*), intent(in) :: env_var\n logical, intent(in) :: default_env_value\n integer, intent(in), optional :: logdev\n\n integer :: length\n integer :: loc_logdev\n logical :: default, regular\n\n call getenv (env_var, loc_str)\n\n if (present(logdev)) then\n loc_logdev = logdev\n else\n loc_logdev = 6\n end if\n\n length = len(trim(loc_str))\n regular = .false.\n default = .false.\n\n if (length <= 0) then\n env_value = default_env_value\n default = .true.\n else if ((length == 1) .and. ((loc_str(1:1) .eq. 'Y') .or. &\n (loc_str(1:1) .eq. 'y') .or. &\n (loc_str(1:1) .eq. 'T') .or. &\n (loc_str(1:1) .eq. 't'))) then\n env_value = .true.\n regular = .true.\n else if ((length == 1) .and. ((loc_str(1:1) .eq. 'N') .or. &\n (loc_str(1:1) .eq. 'n') .or. &\n (loc_str(1:1) .eq. 'F') .or. &\n (loc_str(1:1) .eq. 'f'))) then\n env_value = .false.\n regular = .true.\n else if ((trim(loc_str) == '.TRUE.') .or. &\n (trim(loc_str) == '.true.') .or. &\n (trim(loc_str) == '.True.') .or. &\n (trim(loc_str) == 'TRUE') .or. &\n (trim(loc_str) == 'true') .or. &\n (trim(loc_str) == 'True') .or. &\n (trim(loc_str) == 'YES') .or. &\n (trim(loc_str) == 'yes') .or. &\n (trim(loc_str) == 'Yes')) then\n env_value = .true.\n regular = .true.\n else if ((trim(loc_str) == '.FALSE.') .or. &\n (trim(loc_str) == '.false.') .or. &\n (trim(loc_str) == '.False.') .or. &\n (trim(loc_str) == 'FALSE') .or. &\n (trim(loc_str) == 'false') .or. &\n (trim(loc_str) == 'False') .or. &\n (trim(loc_str) == 'NO') .or. &\n (trim(loc_str) == 'no') .or. &\n (trim(loc_str) == 'No')) then\n env_value = .false.\n regular = .true.\n else\n write (loc_logdev, *) ' Note: Variable ', trim(env_var), ' improperly formatted'\n env_value = default_env_value\n default = .true.\n end if\n\n if ( loc_logdev .gt. 0 ) then\n if (default) then\n write( loc_logdev, '(A21,2x,A,10x,L, 1x, a9)' ), env_var,'|', env_value, '(default)'\n else if (regular) then\n write( loc_logdev, '(A21,2x,A,10x,L)' ), env_var,'|', env_value\n end if\n end if\n\n end subroutine get_env_logical\n\n! --------------------------------------------------------------------------------\n subroutine get_envlist ( env_var, nvars, val_list, in_logdev )\n\n! get a list env var (quoted string of items delimited by white space,\n! commas or semi-colons) and parse out the items into variables. Two data\n! types: character strings and integers (still represented as strings in\n! the env var vaules).\n! Examples:\n! 1) setenv AVG_CONC_VARS \"O3 NO NO2\"\n! 2) setenv AVG_CONC_LAYS \"2 5\" < start at two, end at 5\n! 3) setenv NPCOLSXNPROWS \"4 3\"\n! 4) setenv BCOL_ECOL \"3 8\"\n! 5) setenv BROW_EROW \"2 10\"\n! 6) setenv BLAY_ELAY \"1 5\"\n\n! In example (1), not only parse out the named items \"O3\", \"NO\" and \"NO2\",\n! but also obtain the count on the number of items (=3).\n\n! Revision: 2013/02/11 David Wong: increased the max env var length from 256 to 1000\n! 13 Dec 2013 J.Young: 1000 breaks BUFLEN in IOAPI's envgets.c. Change to 512.\n! 17 Jun 2016 J.Young: IOAPI's envgets.c BUFLEN has been increased to 10000.\n! 20 Jun 2016 J.Young: Forget IOAPI's envgets.c: use Fortran GETENV\n\n#ifndef mpas\n use utilio_defn\n#endif\n\n character( * ), intent ( in ) :: env_var\n integer, intent ( out ) :: nvars\n character( 16 ), intent ( out ) :: val_list( : )\n integer, intent(in), optional :: in_logdev\n\n integer :: max_len\n character( 16 ) :: pname = 'GET_ENVLIST'\n character( 16*size( val_list ) ) :: e_val\n character( 1 ) :: chr\n character( 96 ) :: xmsg\n\n integer :: jp( 16*size( val_list ) ), kp( 16*size( val_list ) ), status\n integer ip, v\n\n integer :: loc_logdev\n \n if (present(in_logdev)) then\n loc_logdev = in_logdev\n else\n loc_logdev = 6\n end if\n\n max_len = 16 * size( val_list )\n\n call get_env( e_val, env_var, ' ', loc_logdev )\n\n if ( e_val .eq. \" \" ) then\n xmsg = 'Environment variable ' // env_var // ' not set'\n#ifndef mpas\n call m3warn( pname, 0, 0, xmsg )\n#endif\n nvars = 0\n val_list = ''\n return\n end if\n\n nvars = 1\n\n ip = 0\n\n101 continue\n ip = ip + 1\n if ( ip .gt. max_len ) go to 301\n chr = e_val( ip:ip )\n if ( chr .eq. ' ' .or. ichar ( chr ) .eq. 09 ) go to 101\n jp( nvars ) = ip ! 1st char\n\n201 continue\n ip = ip + 1\n if ( ip .gt. max_len ) then\n xmsg = 'Environment variable value too long'\n#ifndef mpas\n call m3exit( pname, 0, 0, xmsg, 2 )\n#endif\n end if\n chr = e_val( ip:ip )\n if ( chr .ne. ' ' .and. &\n chr .ne. ',' .and. &\n chr .ne. ';' .or. &\n ichar ( chr ) .eq. 09 ) then ! 09 = horizontal tab\n go to 201\n else\n kp( nvars ) = ip - 1 ! last char in this item\n nvars = nvars + 1\n end if\n\n go to 101\n\n301 continue\n nvars = nvars - 1\n\n do v = 1, nvars\n val_list( v ) = e_val( jp( v ):kp( v ) )\n end do\n\n end subroutine get_envlist\n function get_free_iounit() result ( iounit )\n\n! function finds and return a free IO unit\n! adapted from D.Wong's mio library\n\n implicit none\n\n integer :: iounit\n logical :: found, opened\n\n iounit = 99\n found = .false.\n do while ((.not. found) .and. (iounit .le. 100000))\n inquire (unit=iounit, opened=opened)\n if (.not. opened) then\n found = .true.\n else\n iounit = iounit + 1\n end if\n end do\n\n\n end function get_free_iounit\n\n\n end module get_env_module\n" }, { "path": "CCTM/src/util/util/log_header.F", "content": "\n subroutine LOAD_HEADER( HEADER_TXT, N_TXT )\n\n IMPLICIT NONE\n\n CHARACTER( 90 ) :: HEADER_TXT( 200 )\n INTEGER :: N_TXT\n\n N_TXT = 21\n HEADER_TXT( : ) = ''\n\n HEADER_TXT( 1:N_TXT ) = (/ \n & '#================================================================================#', \n & '#| |#', \n & '#| The Community Multiscale Air Quality (CMAQ) Model |#', \n & '#| Version 5.5 |#', \n & '#| |#', \n & '#| Built and Maintained by the |#', \n & '#| Office of Research and Development |#', \n & '#| United States Environmental Protection Agency |#', \n & '#| |#', \n & '#| https://www.epa.gov/cmaq |#', \n & '#| |#', \n & '#| Source Code: https://www.github.com/USEPA/cmaq/tree/master |#', \n & '#| Documentation: https://www.github.com/USEPA/cmaq/tree/master/DOCS |#', \n & '#| |#', \n & '#| The CMAQ Model is tested and released with cooperation from |#', \n & '#| the Community Modeling and Analysis System (CMAS) Center via |#', \n & '#| contract support. CMAS is managed by the Institute for the |#', \n & '#| Environment, University of North Carolina at Chapel Hill. |#', \n & '#| CMAS URL: (https://www.cmascenter.org) |#', \n & '#| |#', \n & '#================================================================================#' \n & /)\n\n end subroutine LOAD_HEADER \n\n" }, { "path": "CCTM/src/util/util/lstepf.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE LSTEPF ( FNAME, LDATE, LTIME )\n\nC returns the last data date & time on file FNAME\nC specifically used only for input files\n\n USE UTILIO_DEFN\n\n IMPLICIT NONE\n \nC Includes:\n \n INCLUDE SUBST_FILES_ID ! file name parameters\n\nC Arguments:\n\n CHARACTER( 16 ) :: FNAME\n INTEGER LDATE ! last file data date, coded YYYYDDD\n INTEGER LTIME ! last file data time, coded HHMMSS\n\nC External Functions:\n \nC local variables:\n\n CHARACTER( 16 ) :: PNAME = 'LSTEPF'\n CHARACTER( 96 ) :: XMSG = ' '\n\n INTEGER LSTEP\n\nC-----------------------------------------------------------------------\n\nC open existing file for readonly access\n\n#ifndef mpas\n IF ( .NOT. OPEN3( FNAME, FSREAD3, PNAME ) ) THEN\n XMSG = 'Could not open '// FNAME\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n\n IF ( .NOT. DESC3( FNAME ) ) THEN\n XMSG = 'Could not get ' // FNAME // ' file description'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT2 )\n END IF\n \n LSTEP = SEC2TIME( ( MXREC3D - 1 ) * TIME2SEC( TSTEP3D ) )\n LDATE = SDATE3D\n LTIME = STIME3D\n CALL NEXTIME( LDATE, LTIME, LSTEP )\n#endif\n \n RETURN\n END\n" }, { "path": "CCTM/src/util/util/setup_logdev.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE SETUP_LOGDEV () \n\nC Purpose\nC Establish ancillary run time log files for each parallel processor\nC Effectively no operation, if serial\n\nC Revision History:\nC ??? J.Young - initial\nC 26 Dec, 01 David Wong\nC -- removed MPI_INIT call since the same function has been called in\nC subroutine PAR_INIT\nC 11 Jun 02 J.Young - minor mods\nC 23 Feb 11 J.Young - SETENVVAR is a function, not a subroutine\nC 16 Feb 11 S.Roselle: replaced I/O API include files with UTILIO_DEFN;\nC removed deprecated TRIMLEN\nC 12 Aug 15 D.Wong: Replaced SUBST_MPI with mpif.h\n\n USE RUNTIME_VARS\n USE UTILIO_DEFN\n\n IMPLICIT NONE\n\n#ifdef parallel \n include 'mpif.h'\n#endif\n INTEGER, PARAMETER :: MAXLEN_CTM_LOG = MAXLEN_CCTM_APPL + 11\n\n CHARACTER( 8 ) :: PRESTR = 'CTM_LOG_'\n CHARACTER( MAXLEN_CTM_LOG ) :: IOLOGEQ\n\n INTEGER :: IOST, IHEAD\n INTEGER :: NIOAPI_HEAD, NCMAQ_HEAD\n INTEGER, PARAMETER :: NHEAD = 200\n CHARACTER( 90 ) :: CMAQ_HEADER( NHEAD )\n CHARACTER( 90 ) :: IOAPI_HEADER( NHEAD )\n\n integer :: i\n logical :: found, opened\n\n ! Fetch CMAQ Header\n CALL LOAD_HEADER( CMAQ_HEADER, NCMAQ_HEAD )\n\n#ifdef mpas\n write ( cmype, '(I3.3)' ) mype\n iologeq = 'CTM_LOG_' // cmype\n\n i = 99\n found = .false.\n do while ((.not. found) .and. (i .le. 150))\n inquire (unit=i, opened=opened)\n if (.not. opened) then\n found = .true.\n else\n i = i + 1\n end if\n end do\n\n logdev = i\n\n open ( unit = logdev,\n & iostat = iost,\n & file = iologeq,\n & status = 'new',\n & access = 'sequential')\n\n#else\n\n ! Create Log Filename using the processor rank and initialize\n ! I/O-API and Logs\n WRITE ( CMYPE, '(I3.3)' ) MYPE\n IOLOGEQ = PRESTR // CMYPE // '.' // TRIM( APPL_NAME )\n IF ( .NOT. SETENVVAR ( 'LOGFILE', IOLOGEQ ) ) THEN\n WRITE( *,* ) '*** Could not set environment variable for ' // IOLOGEQ\n CALL M3EXIT( 'SETUP_LOGDEV', 0, 0, '', 2 )\n END IF\n\n#ifndef twoway\n ! Write CMAQ Header to Screen\n IF ( MYPE .EQ. 0 ) THEN\n DO IHEAD = 1,NCMAQ_HEAD\n WRITE( OUTDEV, '(A)' ) CMAQ_HEADER( IHEAD )\n END DO\n END IF\n#endif\n\n ! Redirect Standard Output\n IF ( MYPE .NE. 0 ) OPEN( UNIT = 6, FILE = \"/dev/null\", STATUS = \"OLD\" )\n\n LOGDEV = INIT3() \n\n ! Put Standard Output Back to File Unit 6 By Closing File Unit 6\n IF ( MYPE .NE. 0 ) CLOSE( 6 ) \n\n ! Fetch I/O-API Header\n#ifndef twoway\n REWIND( LOGDEV )\n DO IHEAD = 1,NHEAD\n READ( LOGDEV, '(A)', IOSTAT=IOST ), IOAPI_HEADER( IHEAD )\n ! Check for End of File\n IF ( IOST .LT. 0 ) THEN\n NIOAPI_HEAD = IHEAD - 1\n EXIT\n END IF\n END DO\n REWIND( LOGDEV )\n#endif\n#endif\n\n ! Write CMAQ Header and then I/O-API Header\n DO IHEAD = 1,NCMAQ_HEAD\n WRITE( LOGDEV, '(A)' ) CMAQ_HEADER( IHEAD )\n END DO\n WRITE( LOGDEV, * )\n#ifndef mpas\n#ifndef twoway\n DO IHEAD = 1,NIOAPI_HEAD\n WRITE( LOGDEV, '(A)' ) IOAPI_HEADER( IHEAD )\n END DO\n#endif\n#endif\n\n END SUBROUTINE SETUP_LOGDEV \n" }, { "path": "CCTM/src/util/util/subhdomain.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE SUBHDOMAIN ( NPROCS, NPCOL, NPROW, NCOLS, NROWS,\n & NCOLS_PE, NROWS_PE, COLSX_PE, ROWSX_PE )\n\nC----------------------------------------------------------------------\nC Purpose: Subroutine to construct the horizontal\nC processor-to-subdomain map.\n \nC Revision History: \nC Original version 12/05 by J Young - modified from pario's SUBDMAP\nC 16 Feb 11 S.Roselle: replaced I/O API include files with UTILIO_DEFN\n \nC Argument List Description:\nC In:\nC INTEGER NPROCS ! Number of processors\nC INTEGER NPCOL ! Number of PEs across grid cols\nC INTEGER NPROW ! Number of PEs across grid rows\nC INTEGER NCOLS ! Total number of columns in grid\nC INTEGER NROWS ! Total number of rows in grid\nC Out:\nC INTEGER NCOLS_PE( NPROCS ) ! Number of columns for each PE\nC INTEGER NROWS_PE( NPROCS ) ! Number of rows for each PE\nC INTEGER COLSX_PE( 2,NPROCS ) ! Column index range for each PE\nC INTEGER ROWSX_PE( 2,NPROCS ) ! Row index range for each PE\n \nC----------------------------------------------------------------------\n\n USE UTILIO_DEFN\n\n IMPLICIT NONE\n\nC Arguments:\n\n INTEGER NPROCS, NCOLS, NROWS, NPCOL, NPROW\n INTEGER NCOLS_PE( NPROCS ), NROWS_PE( NPROCS )\n INTEGER COLSX_PE( 2,NPROCS ), ROWSX_PE( 2,NPROCS )\n\nC Include Files:\n\nC External Functions:\n\nC Local Variables: \n\n INTEGER I ! Loop counter \n INTEGER NDX ! Temporary index for processors row, column \n INTEGER NCOLX ! Used for computing columns per domain \n INTEGER NROWX ! Used for computing rows per domain \n CHARACTER( 80 ) :: XMSG ! Message issued from M3EXIT routine \n CHARACTER( 16 ) :: PNAME = 'SUBHDOMAIN'\n INTEGER ASTAT ! allocate/deallocate error status\n\nC Dynamic arrays.\n\n INTEGER, ALLOCATABLE :: NCOLS_WE( : ) ! No. columns in west-to-east subdomains\n INTEGER, ALLOCATABLE :: NROWS_SN( : ) ! No. rows in south-to-north subdomains\n \nC----------------------------------------------------------------------\n\n ALLOCATE ( NCOLS_WE( NPCOL ),\n & NROWS_SN( NPROW ), STAT=ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Error allocating NCOLS_WE or NCOLS_SN'\n CALL M3EXIT ( PNAME, 0, 0, XMSG, XSTAT2 )\n RETURN\n END IF\n\nC Construct the processor-to-subdomain map\n\n NCOLX = NCOLS / NPCOL\n NROWX = NROWS / NPROW\n\n DO I = 1 , NPCOL\n NCOLS_WE( I ) = NCOLX\n END DO\n\n DO I = 1 , NPROW\n NROWS_SN( I ) = NROWX\n END DO\n\n DO I = 1, NCOLS - NPCOL*NCOLX ! Spread out remaining columns\n NCOLS_WE( I ) = NCOLS_WE( I ) + 1\n END DO\n\n DO I = 1, NROWS - NPROW*NROWX\n NROWS_SN( I ) = NROWS_SN( I ) + 1 ! Spread out remaining rows\n END DO\n \nC Assign the number of rows and columns for each PE subdomain, \nC and calculate the index range into the global domain\n\nC NPCOL\nC Example subdomain layout _____________________________________\nC for 8 processors with | | | | |\nC NPCOL=4, NPROW=2. | | | | |\nC | 4 | 5 | 6 | 7 |\nC | | | | |\nC NPROW |_________|_________|________|________|\nC | | | | |\nC | | | | |\nC | 0 | 1 | 2 | 3 |\nC | | | | |\nC | | | | |\nC |_________|_________|________|________|\n\n DO I = 1, NPROCS\n\nC Set NDX to the subdomain column index for processor I\n NDX = MOD ( I,NPCOL )\n IF ( NDX .EQ. 0 ) NDX = NPCOL\n\nC Assign the number of columns in this PE\n NCOLS_PE( I ) = NCOLS_WE( NDX )\n\nC Calculate column range of this PE in the global domain\n IF ( NDX .EQ. 1 ) THEN\n COLSX_PE( 1,I ) = 1\n COLSX_PE( 2,I ) = NCOLS_PE( I )\n ELSE\n COLSX_PE( 1,I ) = COLSX_PE( 2,I-1 ) + 1\n COLSX_PE( 2,I ) = COLSX_PE( 2,I-1 ) + NCOLS_PE( I ) \n END IF\n\nC Set NDX to the subdomain row number for processor I\n NDX = ( I - 1 ) / NPCOL + 1\n\nC Calculate number of rows in this PE\n NROWS_PE( I ) = NROWS_SN( NDX )\n\nC Calculate row range of this PE in the global domain\n IF ( I .LE. NPCOL ) THEN\n ROWSX_PE( 1,I ) = 1\n ROWSX_PE( 2,I ) = NROWS_PE( I )\n ELSE\n ROWSX_PE( 1,I ) = ROWSX_PE( 2,I-NPCOL ) + 1\n ROWSX_PE( 2,I ) = ROWSX_PE( 2,I-NPCOL ) + NROWS_PE( I ) \n END IF\n\n END DO\n\n DEALLOCATE ( NCOLS_WE,\n & NROWS_SN, STAT=ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Error deallocating NCOLS_WE or NROWS_SN'\n CALL M3EXIT ( PNAME, 0, 0, XMSG, XSTAT2 )\n END IF\n\n\n RETURN\n END\n\n" }, { "path": "CCTM/src/util/util/subhfile.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE SUBHFILE ( FNAME, GXOFF, GYOFF,\n & STRTCOL, ENDCOL, STRTROW, ENDROW )\n\nC 11 May 11 D.Wong: incorporated twoway model implementation\nC 10 Mar 14 D.Wong: turned off GXOFF and GYOFF check for the twoway model\nC since METCRO is one grid cell bigger than the other\nC files to avoid M3EXIT issue\nC 1 Feb 19 David Wong: removed all MY_N clauses\nC 23 Mar 21 David Wong: modified code to accommodate a flexibility to allow each input\nC can have different XORIG and YORIG settings than the simulation\nC domain if it can be overlapped with the simulation domain\nC perfectly w.r.t. domain resolution\n\nC returns local starting and ending column and row indices for file FNAME\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE UTILIO_DEFN\n\n IMPLICIT NONE\n \nC Includes:\n \n INCLUDE SUBST_FILES_ID ! file name parameters\n\nC Arguments:\n\n CHARACTER( 16 ), INTENT( IN ) :: FNAME\n INTEGER, INTENT( OUT ) :: GXOFF ! X global origin offset from file (.ge. 0)\n INTEGER, INTENT( OUT ) :: GYOFF ! Y global origin offset from file (.ge. 0)\n INTEGER, INTENT( OUT ) :: STRTCOL ! local processor start colum in file\n INTEGER, INTENT( OUT ) :: ENDCOL ! local processor end colum in file\n INTEGER, INTENT( OUT ) :: STRTROW ! local processor start row in file\n INTEGER, INTENT( OUT ) :: ENDROW ! local processor end row in file\n\nC External Functions:\n \nC Parameters\n\n REAL( 8 ), PARAMETER :: HALF = 0.5D+00\n REAL( 8 ), PARAMETER :: ONE = 1.0D+00\n REAL( 8 ), PARAMETER :: TEN = 1.0D+01\n REAL( 8 ), PARAMETER :: ONEK = 1.0D+03\n REAL( 8 ), PARAMETER :: TENK = 1.0D+04\n REAL( 8 ), PARAMETER :: TOL = ONE / ONEK\n REAL( 8 ), PARAMETER :: THOU = 1.0D-03\n REAL( 8 ), PARAMETER :: MIN_DOUBLE = 1.0D-08\n\nC local variables:\n\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n INTEGER :: INDX ! because mype starts at 0\n CHARACTER( 16 ) :: PNAME = 'SubhFile_Cell'\n CHARACTER( 16 ) :: BNAME\n CHARACTER( 96 ) :: XMSG = ' '\n\n INTEGER :: LOC_STRTCOL, LOC_ENDCOL, LOC_STRTROW, LOC_ENDROW\n\n REAL( 8 ), SAVE :: XORIG_B, YORIG_B\n REAL( 8 ), SAVE :: XCENT_B, YCENT_B\n REAL( 8 ), SAVE :: XCELL_B, YCELL_B\n REAL( 8 ), SAVE :: XORIG_C, YORIG_C ! from GRIDDESC, in cell coord\n REAL( 8 ), SAVE :: XORIG_F, YORIG_F ! from file, in cell coord\n\n INTEGER DOTFILE\n REAL( 8 ) :: RELOFFX, RELOFFY\n\nC-----------------------------------------------------------------------\n\n#ifndef mpas\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n\nC open cross file for subsequent comparison\n\n! BNAME = TRIM( GRID_CRO_2D )\n\n! IF ( .NOT. OPEN3( BNAME, FSREAD3, PNAME ) ) THEN\n! XMSG = 'Could not open '// BNAME\n! CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n! END IF\n\n! IF ( .NOT. DESC3( BNAME ) ) THEN\n! XMSG = 'Could not get ' // BNAME // ' file description'\n! CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT2 )\n! END IF\n\nC set base header data\n\n XORIG_B = XORIG3D\n! YORIG_B = YORIG3D\n! XCENT_B = XCENT3D\n! YCENT_B = YCENT3D\n! XCELL_B = XCELL3D\n! YCELL_B = YCELL3D\n\nC Scale resolution\n\n! XCELL_B = REAL( IDNINT( TENK * XCELL_B ), 8 ) / TENK\n! YCELL_B = REAL( IDNINT( TENK * YCELL_B ), 8 ) / TENK\n\nC Convert to grid cell coord and truncate\n\n! XORIG_B = XORIG_B / XCELL_B\n! XORIG_B = REAL( IDNINT( ONEK * XORIG_B ), 8 ) / ONEK\n! YORIG_B = YORIG_B / YCELL_B\n! YORIG_B = REAL( IDNINT( ONEK * YORIG_B ), 8 ) / ONEK\n\n XORIG_C = XORIG_GD / XCELL_GD\n XORIG_C = REAL( IDNINT( ONEK * XORIG_C ), 8 ) / ONEK\n YORIG_C = YORIG_GD / YCELL_GD\n YORIG_C = REAL( IDNINT( ONEK * YORIG_C ), 8 ) / ONEK\n\n END IF ! FIRSTIME\n\nC open existing file for readonly access\n\n IF ( .NOT. OPEN3( FNAME, FSREAD3, PNAME ) ) THEN\n XMSG = 'Could not open '// FNAME\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT1 )\n END IF\n\n IF ( .NOT. DESC3( FNAME ) ) THEN\n XMSG = 'Could not get ' // TRIM( FNAME )\n & // ' file description'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT2 )\n END IF\n\nC check some header data against the reference file in this met set -\nC mother grid center and grid cell resolution\n\n! IF ( ABS( XCENT3D - XCENT_B ) .GT.\n! & TOL * ABS( XCENT3D + XCENT_B + TOL ) .OR.\n! & ABS( YCENT3D - YCENT_B ) .GT.\n! & TOL * ABS( YCENT3D + YCENT_B + TOL ) .OR.\n! & ABS( XCELL3D - XCELL_B ) .GT. TOL * XCELL3D .OR.\n! & ABS( YCELL3D - YCELL_B ) .GT. TOL * YCELL3D ) THEN\n! WRITE( LOGDEV,2003 ) XCENT_B, XCENT3D, YCENT_B, YCENT3D,\n! & XCELL_B, XCELL3D, YCELL_B, YCELL3D\n!2003 FORMAT(/ 5X, 'XCENT_B:', F20.12, 2X, 'XCENT3D (file):', F20.12 \n! & / 5X, 'YCENT_B:', F20.12, 2X, 'YCENT3D (file):', F20.12\n! & / 5X, 'XCELL_B:', F20.12, 2X, 'XCELL3D (file):', F20.12 \n! & / 5X, 'YCELL_B:', F20.12, 2X, 'YCELL3D (file):', F20.12 )\n\n! XMSG = 'File header inconsistent with GRID_CRO_2D'\n!#ifndef twoway\n! CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT2 )\n!#endif\n! END IF\n\nC check some header data against GRIDDESC\n\n IF ( ABS( XCENT3D - XCENT_GD ) .GT.\n & TOL * ABS( XCENT3D + XCENT_GD + TOL ) .OR.\n & ABS( YCENT3D - YCENT_GD ) .GT.\n & TOL * ABS( YCENT3D + YCENT_GD + TOL ) .OR.\n & ABS( XCELL3D - XCELL_GD ) .GT. TOL * XCELL3D .OR.\n & ABS( YCELL3D - YCELL_GD ) .GT. TOL * YCELL3D ) THEN\n WRITE( LOGDEV,2003 ) XCENT_GD, XCENT3D, YCENT_GD, YCENT3D,\n & XCELL_GD, XCELL3D, YCELL_GD, YCELL3D\n 2003 FORMAT(/ 5X, 'XCENT_B:', F20.12, 2X, 'XCENT3D (file):', F20.12 \n & / 5X, 'YCENT_B:', F20.12, 2X, 'YCENT3D (file):', F20.12\n & / 5X, 'XCELL_B:', F20.12, 2X, 'XCELL3D (file):', F20.12 \n & / 5X, 'YCELL_B:', F20.12, 2X, 'YCELL3D (file):', F20.12 )\n\n XMSG = 'File header inconsistent with GRIDDESC'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT2 )\n END IF\n\nC Convert to grid cell coord and truncate\n\n XORIG_F = XORIG3D / XCELL3D\n XORIG_F = REAL( IDNINT( ONEK * XORIG_F ), 8 ) / ONEK\n YORIG_F = YORIG3D / YCELL3D\n YORIG_F = REAL( IDNINT( ONEK * YORIG_F ), 8 ) / ONEK\n \nC Check if file (cross or dot) is \"lined up\"\n\n RELOFFX = THOU * REAL( IDNINT( ONEK * ( XORIG_C - XORIG_F ) ), 8 )\n RELOFFX = RELOFFX - ONE * REAL( IDNINT( RELOFFX ), 8 )\n\n IF ( ABS( RELOFFX ) .GT. MIN_DOUBLE ) THEN ! it better be a dot file\n IF ( ABS( RELOFFX ) .LT. HALF - MIN_DOUBLE .OR.\n & ABS( RELOFFX ) .GT. HALF + MIN_DOUBLE ) THEN\n WRITE( LOGDEV,* ) ' RELOFFX: ', RELOFFX\n WRITE( LOGDEV,* ) ' XORIG_C, XORIG_F: ', XORIG_C, XORIG_F\n XMSG = 'Inconsistent Base/File Xorig'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT2 )\n END IF\n END IF\n\n RELOFFY = THOU * REAL( IDNINT( ONEK * ( YORIG_C - YORIG_F ) ), 8 )\n RELOFFY = RELOFFY - ONE * REAL( IDNINT( RELOFFY ), 8 )\n\n IF ( ABS( RELOFFY ) .GT. MIN_DOUBLE ) THEN ! it better be a dot file\n IF ( ABS( RELOFFY ) .LT. HALF - MIN_DOUBLE .OR.\n & ABS( RELOFFY ) .GT. HALF + MIN_DOUBLE ) THEN\n WRITE( LOGDEV,* ) ' RELOFFY: ', RELOFFY\n WRITE( LOGDEV,* ) ' YORIG_C, YORIG_F: ', YORIG_C, YORIG_F\n XMSG = 'Inconsistent Base/File Yorig'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT2 )\n END IF\n END IF\n IF ( ABS( RELOFFX - RELOFFY ) .GT. MIN_DOUBLE ) THEN\n XMSG = 'Inconsistent X- and Y-resolution (file vs. file)'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT2 )\n END IF\n\nC check the file against the processor setup (COORD.EXT), and get the offsets\n\n DOTFILE = 0\n RELOFFX = THOU * REAL( IDNINT( ONEK * ( XORIG_C - XORIG_F ) ), 8 )\n RELOFFX = RELOFFX - ONE * REAL( IDNINT( RELOFFX ), 8 )\n\n IF ( ABS( RELOFFX ) .GT. MIN_DOUBLE ) THEN ! it better be a dot file\n IF ( ABS( RELOFFX ) .LT. HALF - MIN_DOUBLE .OR.\n & ABS( RELOFFX ) .GT. HALF + MIN_DOUBLE ) THEN\n WRITE( LOGDEV,* ) ' RELOFFX: ', RELOFFX\n WRITE( LOGDEV,* ) ' XORIG_GD, XORIG_F: ', XORIG_C, XORIG_F\n XMSG = 'File Xorig inconsistent with GRIDDESC'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT2 )\n END IF\n END IF\n\n RELOFFY = THOU * REAL( IDNINT( ONEK * ( YORIG_C - YORIG_F ) ), 8 )\n RELOFFY = RELOFFY - ONE * REAL( IDNINT( RELOFFY ), 8 )\n\n IF ( ABS( RELOFFY ) .GT. MIN_DOUBLE ) THEN ! it better be a dot file\n IF ( ABS( RELOFFY ) .LT. HALF - MIN_DOUBLE .OR.\n & ABS( RELOFFY ) .GT. HALF + MIN_DOUBLE ) THEN\n WRITE( LOGDEV,* ) ' RELOFFY: ', RELOFFY\n WRITE( LOGDEV,* ) ' YORIG_GD, YORIG_F: ', YORIG_C, YORIG_F\n XMSG = 'File Yorig inconsistent with GRIDDESC'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT2 )\n ELSE\n DOTFILE = 1\n END IF\n END IF\n IF ( ABS( RELOFFX - RELOFFY ) .GT. MIN_DOUBLE ) THEN\n XMSG = 'Inconsistent X- and Y-resolution (file vs. model)'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT2 )\n END IF\n\n INDX = MYPE + 1\n GXOFF = IDINT( XORIG_C - XORIG_F )\n LOC_STRTCOL = GXOFF + COLSX_PE( 1,INDX )\n LOC_ENDCOL = LOC_STRTCOL + NCOLS - 1 + DOTFILE\n GYOFF = IDINT( YORIG_C - YORIG_F )\n LOC_STRTROW = GYOFF + ROWSX_PE( 1,INDX )\n LOC_ENDROW = LOC_STRTROW + NROWS - 1 + DOTFILE\n#ifndef twoway\n IF ( GXOFF .LT. 0 .OR. GYOFF .LT. 0 ) THEN\n XMSG = 'Model domain is outside file domain'\n CALL M3EXIT( PNAME, 0, 0, XMSG, XSTAT2 )\n END IF\n#endif\n\n#ifdef twoway\n IF ( ( FNAME .EQ. GRID_CRO_2D ) .OR.\n & ( FNAME .EQ. GRID_DOT_2D ) ) THEN\n LOC_ENDCOL = LOC_ENDCOL - LOC_STRTCOL + 1\n LOC_STRTCOL = 1\n LOC_ENDROW = LOC_ENDROW - LOC_STRTROW + 1\n LOC_STRTROW = 1\n ELSE IF ( ( FNAME .EQ. MET_CRO_2D ) .OR.\n & ( FNAME .EQ. MET_CRO_3D ) .OR.\n & ( FNAME .EQ. MET_DOT_3D ) ) THEN\n LOC_ENDCOL = LOC_ENDCOL - LOC_STRTCOL + 2\n LOC_STRTCOL = 2\n LOC_ENDROW = LOC_ENDROW - LOC_STRTROW + 2\n LOC_STRTROW = 2\n END IF\n#endif\n\n STRTCOL = LOC_STRTCOL\n ENDCOL = LOC_ENDCOL\n STRTROW = LOC_STRTROW\n ENDROW = LOC_ENDROW\n#endif\n\n RETURN\n END SUBROUTINE SUBHFILE\n" }, { "path": "CCTM/src/util/util/util_family_module.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n!------------------------------------------------------------------------!\n! This module contains the definition of various Families that are !\n! useful for users wanting to scale inputs or otherwise modify the the !\n! options for their outputs. !\n! !\n! Revision History: !\n! 25 Jun 2020 B. Murphy initial implementation !\n!------------------------------------------------------------------------!\n\n module util_Family_module\n\n IMPLICIT NONE\n\n SAVE\n\n ! Define Chemical Family Variables\n Integer :: N_Chem_Fams = 0\n Integer :: Max_Chem_Fam_Members = 0\n Character( 32 ),Allocatable :: ChemFamilyName( : ) \n Integer,Allocatable :: ChemFamilyNum( : ) \n Character( 32 ),Allocatable :: ChemFamilyMembers( :,: ) \n\n ! Define Stream Family Variables\n Integer :: Desid_N_Stream_Fams = 0\n Integer :: Desid_Max_Stream_Fam_Members = 0\n Character( 32 ),Allocatable :: StreamFamilyName( : ) \n Integer,Allocatable :: StreamFamilyNum( : )\n Character( 32 ),Allocatable :: StreamFamilyMembers( :,: )\n\n ! Define Region Family Variables\n Integer :: Desid_N_Reg_Fams = 0\n Integer :: Desid_Max_Reg_Fam_Members = 0\n Character( 32 ),Allocatable :: RegionFamilyName( : )\n Integer,Allocatable :: RegionFamilyNum( : )\n Character( 32 ),Allocatable :: RegionFamilyMembers( :,: )\n\n ! Other Variables\n Logical :: linit = .FALSE.\n\n contains\n\n \n! ----------------------------------------------------------------------\n subroutine read_families\n! ----------------------------------------------------------------------\n! Load definitions for families from the Control File to these \n! globally available variables.\n! \n! ----------------------------------------------------------------------\n\n use RUNTIME_VARS, only : DESID_CTRL, MISC_CTRL, logdev, log_message, \n & log_subheading\n use UTILIO_DEFN\n use desid_param_module, only : Desid_Max_Reg\n use aero_data, only : n_aerospc, aerospc, n_mode, aero_missing\n \n IMPLICIT NONE\n \n ! Define Dummy Variables for Opening Emission Control Namelist\n CHARACTER( 300 ) :: XMSG\n INTEGER :: FUNIT\n INTEGER :: STAT, IFAM, INUM, IOST, IAER, JAER, IM\n CHARACTER( 200 ) :: TMPLINE\n\n\n ! Define Chemical Families \n NAMELIST / Chemical_FamVars / N_Chem_Fams, Max_Chem_Fam_Members\n NAMELIST / ChemicalFamilies / ChemFamilyName, ChemFamilyMembers\n\n ! Define Stream Families\n NAMELIST / Desid_StreamFamVars / Desid_N_Stream_Fams, Desid_Max_Stream_Fam_Members\n NAMELIST / Desid_StreamFam / StreamFamilyName, StreamFamilyMembers\n\n ! Define Region Families\n NAMELIST / Desid_RegionDefVars / Desid_Max_Reg, Desid_N_Reg_Fams,\n & Desid_Max_Reg_Fam_Members\n NAMELIST / Desid_RegionFam / RegionFamilyName, RegionFamilyMembers\n \n CALL LOG_SUBHEADING( LOGDEV, \"Reading Family Definitions from Control File\" )\n\n ! Retrieve the Name of the Misc. Control File\n IF ( MISC_CTRL .EQ. \"MISC_CTRL_NML\" ) THEN\n XMSG = 'You have chosen not to indicate the location of a' //\n & 'Misc. Control namelist file. You must give a value ' //\n & 'for the MISC_CTRL variable in the CMAQ runscript.'\n CALL M3EXIT( 'READ_FAMILIES',0,0,XMSG,1 )\n END IF\n \n ! Open Miscellaneous Control Namelist File\n FUNIT = JUNIT()\n OPEN( FILE = MISC_CTRL, UNIT = FUNIT, STATUS = 'OLD',\n & POSITION = 'REWIND', FORM='FORMATTED', IOSTAT = STAT )\n\n ! Check for Error in File Open Process\n IF ( STAT .NE. 0 ) THEN\n WRITE( XMSG, '(A,A,A)' ),'ERROR: Could not read ',\n & 'miscellaneous control namelist file: ',TRIM( MISC_CTRL )\n CALL M3EXIT( 'READ_FAMILIES',0,0,XMSG,1 )\n END IF\n \n ! Read Number of Chemical Families\n REWIND( FUNIT )\n READ( NML = Chemical_FamVars, UNIT = FUNIT, IOSTAT=STAT )\n IF ( STAT .EQ. -1 ) THEN\n XMSG = 'Note: the Chemical_FamVars section of the Misc. Control ' //\n & 'Namelist is missing. Default values for this section will be ' //\n & 'assumed.'\n CALL LOG_MESSAGE( LOGDEV, ' ' )\n CALL LOG_MESSAGE( LOGDEV, XMSG )\n N_Chem_Fams = 0\n Max_Chem_Fam_Members = 120\n ELSE IF ( STAT .NE. 0 ) THEN\n ! Read Error Detected for MISC_CTRL\n backspace( FUNIT )\n read( FUNIT, fmt='(A)' ) tmpline\n XMSG = 'ERROR: There was a syntax error reading the Chemical_FamVars '//\n & 'variable for use by the families module. Please check the format of '//\n & 'each line for syntax errors. The invalid line was likely: '\n CALL LOG_MESSAGE( LOGDEV, ' ')\n CALL LOG_MESSAGE( LOGDEV, XMSG )\n WRITE( LOGDEV, '(8x,A)' ) TMPLINE\n CALL M3EXIT ( 'Read_Families', 0, 0, 'CMAQ must Crash until you '//\n & 'fix the Chemical Families', 1 ) \n \n END IF\n \n ! Read Chemical Family Specification Section\n N_Chem_Fams = N_Chem_Fams + n_aerospc\n ALLOCATE( ChemFamilyName( N_Chem_Fams),\n & ChemFamilyNum( N_Chem_Fams),\n & ChemFamilyMembers( N_Chem_Fams, Max_Chem_Fam_Members ),\n & STAT = IOST)\n CALL CHECKMEM( IOST, 'ChemFamilies', 'Read_Families' )\n ChemFamilyName = ''\n ChemFamilyMembers = ''\n\n REWIND( FUNIT )\n READ( NML = ChemicalFamilies, UNIT = FUNIT, IOSTAT=STAT )\n IF ( STAT .EQ. -1 ) THEN\n XMSG = 'Note: the ChemicalFamilies section of the Misc. Control ' //\n & 'Namelist is missing. Default values for this section will be ' //\n & 'assumed.'\n CALL LOG_MESSAGE( LOGDEV, ' ' )\n CALL LOG_MESSAGE( LOGDEV, XMSG )\n ChemFamilyName = ''\n ChemFamilyMembers = ''\n ELSE IF ( STAT .NE. 0 ) THEN\n ! Read Error Detected for RGN_NML\n backspace( FUNIT )\n read( FUNIT, fmt='(A)' ) tmpline\n XMSG = 'ERROR: There was a syntax error reading the ChemicalFamilies '//\n & 'variable for use by the DESID module. Please check the format of '//\n & 'each line for syntax errors. The invalid line was likely: '\n CALL LOG_MESSAGE( LOGDEV, ' ')\n CALL LOG_MESSAGE( LOGDEV, XMSG )\n WRITE( LOGDEV, '(8x,A)' ) TMPLINE\n CALL M3EXIT ( 'Read_Families', 0, 0, 'CMAQ must Crash until you '//\n & 'fix the Chemical Families', 1 ) \n \n END IF\n\n ! Add Aerosol Species to Chemical Family List if they aren't\n ! already there\n DO IAER = 1,N_AEROSPC\n JAER = INDEX1( AEROSPC(IAER)%BULKNAME,N_Chem_Fams,ChemFamilyName )\n IF ( JAER .EQ. 0 ) THEN\n ! Add Aerosol Bulkname to the end of the chemical family\n ! list\n DO IFAM = 1,N_Chem_Fams\n if ( ChemFamilyName(ifam) .eq. '' ) then\n ChemFamilyName(ifam) = aerospc(iaer)%bulkname\n inum = 0\n do im = 1,n_mode\n if ( .not.aero_missing(iaer,im) ) then\n inum = inum + 1\n ChemFamilyMembers(ifam,inum) = aerospc(iaer)%name(im)\n end if\n end do\n exit\n end if\n END DO\n ELSE\n N_Chem_Fams = N_Chem_Fams - 1\n END IF\n END DO\n\n ! Reallocate Chemical Family Arrays in case N_Chem_Fams was\n ! shortened due to aerosol bulknames being already present in the\n ! user-defined family list.\n ChemFamilyName = ChemFamilyName(1:N_Chem_Fams)\n ChemFamilyMembers = ChemFamilyMembers(1:N_Chem_Fams,1:Max_Chem_Fam_Members)\n\n ! Populate and Error Check All Family and Member Names\n DO IFAM = 1,N_Chem_Fams\n IF ( ChemFamilyName(IFAM) .EQ. '' ) THEN\n WRITE( XMSG, '(A,I3,A,A,A)' ),'ERROR: The number of Chemical Families ',\n & N_Chem_Fams, ' is larger than the number of fields ',\n & 'provided in the ChemFamilyName array. Reduce N_Chem_Fams ',\n & 'in the MISC_CTRL file or provide more Chemical Families.'\n CALL M3EXIT( 'Read_Families',0,0,XMSG,1 )\n END IF\n CALL UPCASE( ChemFamilyName( IFAM ) )\n ChemFamilyNum( IFAM ) = 0\n\n DO INUM = 1,Max_Chem_Fam_Members\n IF ( ChemFamilyMembers( IFAM,INUM ) .EQ. '' ) EXIT\n CALL UPCASE( ChemFamilyMembers( IFAM,INUM ) )\n ChemFamilyNum ( IFAM ) = INUM\n END DO\n END DO \n CLOSE( UNIT = FUNIT )\n \n !!! Stream Families !!!\n ! Retrieve the Name of the DESID Control File\n IF ( DESID_CTRL .EQ. \"DESID_CTRL_NML\" ) THEN\n XMSG = 'You have chosen not to indicate the location of a' //\n & 'DESID Control namelist file. You must give a value ' //\n & 'for the DESID_CTRL variable in the CMAQ runscript.'\n CALL M3EXIT( 'READ_FAMILIES',0,0,XMSG,1 )\n END IF\n \n ! Open Emission Control Namelist File\n FUNIT = JUNIT()\n OPEN( FILE = DESID_CTRL, UNIT = FUNIT, STATUS = 'OLD',\n & POSITION = 'REWIND', FORM='FORMATTED', IOSTAT = STAT )\n\n ! Check for Error in File Open Process\n IF ( STAT .NE. 0 ) THEN\n WRITE( XMSG, '(A,A,A)' ),'ERROR: Could not read ',\n & 'DESID control namelist file: ',TRIM( DESID_CTRL )\n CALL M3EXIT( 'READ_FAMILIES',0,0,XMSG,1 )\n END IF\n \n ! Read Stream Family Specification Section\n REWIND( FUNIT )\n READ( NML = Desid_StreamFamVars, UNIT = FUNIT, IOSTAT=STAT )\n IF ( STAT .EQ. -1 ) THEN\n XMSG = 'Note: the StreamFamilies section of the DESID Control ' //\n & 'Namelist is missing. Default values for this section will be ' //\n & 'assumed.'\n CALL LOG_MESSAGE( LOGDEV, ' ' )\n CALL LOG_MESSAGE( LOGDEV, XMSG )\n Desid_N_Stream_Fams = 0\n Desid_Max_Stream_Fam_Members = 0\n ELSE IF ( STAT .NE. 0 ) THEN\n ! Read Error Detected for RGN_NML\n backspace( FUNIT )\n read( FUNIT, fmt='(A)' ) tmpline\n XMSG = 'ERROR: There was a syntax error reading the Desid_StreamFamVars '//\n & 'variable for use by the DESID module. Please check the format of '//\n & 'each line for syntax errors. The invalid line was likely: '\n CALL LOG_MESSAGE( LOGDEV, ' ')\n CALL LOG_MESSAGE( LOGDEV, XMSG )\n WRITE( LOGDEV, '(8x,A)' ) TMPLINE\n CALL M3EXIT ( 'Read_Families', 0, 0, 'CMAQ must Crash until you '//\n & 'fix the Stream Families', 1 ) \n \n END IF\n\n ALLOCATE( StreamFamilyName( Desid_N_Stream_Fams ),\n & StreamFamilyNum( Desid_N_Stream_Fams ),\n & StreamFamilyMembers( Desid_N_Stream_Fams, Desid_Max_Stream_Fam_Members ),\n & STAT = IOST )\n CALL CHECKMEM( IOST, 'Stream Families', 'Read_Families' )\n StreamFamilyName = ''\n StreamFamilyMembers = ''\n\n ! Read Stream Family Specification Section\n REWIND( FUNIT )\n READ( NML = Desid_StreamFam, UNIT = FUNIT, IOSTAT=STAT )\n IF ( STAT .EQ. -1 ) THEN\n XMSG = 'Note: the StreamFamilies section of the DESID Control ' //\n & 'Namelist is missing. Default values for this section will be ' //\n & 'assumed.'\n CALL LOG_MESSAGE( LOGDEV, ' ' )\n CALL LOG_MESSAGE( LOGDEV, XMSG )\n StreamFamilyName = ''\n StreamFamilyMembers = ''\n ELSE IF ( STAT .NE. 0 ) THEN\n ! Read Error Detected for RGN_NML\n backspace( FUNIT )\n read( FUNIT, fmt='(A)' ) tmpline\n XMSG = 'ERROR: There was a syntax error reading the Desid_StreamFam '//\n & 'variable for use by the DESID module. Please check the format of '//\n & 'each line for syntax errors. The invalid line was likely: '\n CALL LOG_MESSAGE( LOGDEV, ' ')\n CALL LOG_MESSAGE( LOGDEV, XMSG )\n WRITE( LOGDEV, '(8x,A)' ) TMPLINE\n CALL M3EXIT ( 'Read_Families', 0, 0, 'CMAQ must Crash until you '//\n & 'fix the Stream Families', 1 ) \n \n END IF\n \n ! Capitalize All Family and Member Names\n DO IFAM = 1,Desid_N_Stream_Fams\n IF ( StreamFamilyName(IFAM) .EQ. '' ) THEN\n WRITE( XMSG, '(A,I3,A,A,A)' ),'ERROR: The number of Stream Families ',\n & Desid_N_Stream_Fams, ' is larger than the number of fields ',\n & 'provided in StreamFamilyName array. Reduce Desid_N_Stream_Fams ',\n & 'in the DESID_CTRL file or provide more Stream Families.'\n CALL M3EXIT( 'Read_Families',0,0,XMSG,1 )\n END IF\n CALL UPCASE( StreamFamilyName( IFAM ) )\n StreamFamilyNum( IFAM ) = 0\n\n DO INUM = 1,Desid_Max_Stream_Fam_Members\n IF ( StreamFamilyMembers(IFAM,INUM) .EQ. '' ) EXIT\n CALL UPCASE( StreamFamilyMembers( IFAM,INUM ) )\n StreamFamilyNum( IFAM ) = INUM\n END DO\n END DO\n\n \n !!! Region Families !!!\n ! Read Region Family Specification Section\n REWIND( FUNIT )\n READ( NML = Desid_RegionDefVars, UNIT = FUNIT, IOSTAT=STAT )\n IF ( STAT .EQ. -1 ) THEN\n XMSG = 'Note: the Desid_Regoin_DefVars section of the DESID Control ' //\n & 'Namelist is missing. Default values for this section will be '//\n & 'assumed.'\n CALL LOG_MESSAGE( LOGDEV, ' ' )\n CALL LOG_MESSAGE( LOGDEV, XMSG )\n Desid_Max_Reg = 0\n Desid_N_Reg_Fams = 0\n Desid_Max_Reg_Fam_Members = 0\n ELSE IF ( STAT .NE. 0 ) THEN\n ! Read Error Detected for RGN_NML\n backspace( FUNIT )\n read( FUNIT, fmt='(A)' ) tmpline\n XMSG = 'ERROR: There was a syntax error reading the RegionFamilies '//\n & 'variable for use by the DESID module. Please check the format of '//\n & 'each line for syntax errors. The invalid line was likely: '\n CALL LOG_MESSAGE( LOGDEV, ' ')\n CALL LOG_MESSAGE( LOGDEV, XMSG )\n WRITE( LOGDEV, '(8x,A)' ) TMPLINE\n CALL M3EXIT ( 'Read_Families', 0, 0, 'CMAQ must Crash until you '//\n & 'fix the Region Families', 1 ) \n \n END IF\n\n ALLOCATE( RegionFamilyName( Desid_N_Reg_Fams ),\n & RegionFamilyNum( Desid_N_Reg_Fams ),\n & RegionFamilyMembers( Desid_N_Reg_Fams, Desid_Max_Reg_Fam_Members ),\n & STAT=IOST )\n CALL CHECKMEM( IOST, 'Region Families','Read Families' )\n RegionFamilyName = ''\n RegionFamilyMembers = ''\n\n REWIND( FUNIT )\n READ( NML = Desid_RegionFam, UNIT = FUNIT, IOSTAT=STAT )\n IF ( STAT .EQ. -1 ) THEN\n XMSG = 'Note: the Desid_RegionFam section of the DESID Control ' //\n & 'Namelist is missing. Default values for this section will be '//\n & 'assumed.'\n CALL LOG_MESSAGE( LOGDEV, ' ' )\n CALL LOG_MESSAGE( LOGDEV, XMSG )\n RegionFamilyName = ''\n RegionFamilyMembers = ''\n ELSE IF ( STAT .NE. 0 ) THEN\n ! Read Error Detected for RGN_NML\n backspace( FUNIT )\n read( FUNIT, fmt='(A)' ) tmpline\n XMSG = 'ERROR: There was a syntax error reading the RegionFamilies '//\n & 'variable for use by the DESID module. Please check the format of '//\n & 'each line for syntax errors. The invalid line was likely: '\n CALL LOG_MESSAGE( LOGDEV, ' ')\n CALL LOG_MESSAGE( LOGDEV, XMSG )\n WRITE( LOGDEV, '(8x,A)' ) TMPLINE\n CALL M3EXIT ( 'Read_Families', 0, 0, 'CMAQ must Crash until you '//\n & 'fix the Region Families', 1 ) \n \n END IF\n \n ! Capitalize All Family and Member Names\n DO IFAM = 1,Desid_N_Reg_Fams\n IF ( RegionFamilyName(IFAM) .EQ. '' ) THEN\n WRITE( XMSG, '(A,I3,A,A,A)' ),'ERROR: The number of Region Families ',\n & Desid_N_Reg_Fams, ' is larger than the number of fields ',\n & 'provided in RegionFamilyName array. Reduce Desid_N_Reg_Fams ',\n & 'in the DESID_CTRL file or provide more Region Families.'\n CALL M3EXIT( 'Read_Families',0,0,XMSG,1 )\n END IF\n CALL UPCASE( RegionFamilyName( IFAM ) )\n RegionFamilyNum( IFAM ) = 0\n\n DO INUM = 1,Desid_Max_Reg_Fam_Members\n IF ( RegionFamilyMembers( IFAM,INUM ) .EQ. '' ) EXIT\n CALL UPCASE( RegionFamilyMembers( IFAM,INUM ) )\n RegionFamilyNum( IFAM ) = INUM\n END DO\n END DO\n \n\n CLOSE( UNIT = FUNIT )\n\n CALL LOG_MESSAGE( LOGDEV, ' ' ) ! Add a buffer space in the log file\n\n end subroutine read_families\n\n! ----------------------------------------------------------------------\n subroutine map_chem_families( species0, spec_vec, nvec, out_vec )\n! ----------------------------------------------------------------------\n! Return a vector out_vec of size nvec, equal to the size of specvec.\n! Out_vec is a logical which maps the input species name \"species\" \n! to specvec, expanding any chemical families or keywords.\n! ----------------------------------------------------------------------\n\n USE AERO_DATA, ONLY: N_MODE, MODESUFF, AEROSPC, N_AEROSPC\n USE RUNTIME_VARS, ONLY: LOGDEV\n USE UTILIO_DEFN\n\n IMPLICIT NONE\n\n CHARACTER(16), INTENT(IN) :: SPECIES0\n INTEGER , INTENT(IN) :: NVEC\n CHARACTER(16), INTENT(IN) :: SPEC_VEC( NVEC )\n LOGICAL , INTENT(OUT):: OUT_VEC( NVEC )\n\n CHARACTER(16) :: SPECIES\n\n INTEGER IFAM, ICHEM, IDX, JDX, IM, KDX, NCHEM\n CHARACTER(16) :: CHEM_NAME( 150 ), SN\n CHARACTER(200) :: XMSG\n\n ! Initialize Emissions Species Array\n SPECIES = SPECIES0\n CALL UPCASE( SPECIES )\n OUT_VEC = .FALSE.\n\n\n ! Find Indices of Species Relevant for \"species\"\n IF ( SPECIES .EQ. 'ALL' ) THEN\n ! Expand to Apply to All Species\n OUT_VEC = .TRUE.\n ELSE \n ! Determine if the Species Label Refers to A Family and if So, \n ! Apply the Rule to all members of that Family\n IFAM = INDEX1( SPECIES, N_Chem_Fams, ChemFamilyName )\n IF ( IFAM .EQ. 0 ) THEN\n NCHEM = 1\n CHEM_NAME(1) = SPECIES\n ELSE\n NCHEM = ChemFamilyNum( IFAM )\n CHEM_NAME(1:NCHEM) = ChemFamilyMembers( IFAM,1:NCHEM )\n END IF\n \n DO ICHEM = 1,NCHEM\n ! Find the Specific Species this Rule Identifies\n IDX = INDEX1( CHEM_NAME( ICHEM ), NVEC, SPEC_VEC )\n JDX = INDEX1( CHEM_NAME( ICHEM ), N_AEROSPC, AEROSPC( : )%BULKNAME )\n IF ( IDX .NE. 0 ) THEN\n OUT_VEC( IDX ) = .TRUE.\n ELSE IF ( JDX .NE. 0 ) THEN\n ! This is an aerosol species, and it is being\n ! identified with a bulk name (no mode suffix). \n ! We need to allow for all possible DIFF_SPC with\n ! all used suffixes\n SN = CHEM_NAME( ICHEM )\n DO IM = 1,N_MODE\n KDX = INDEX1( TRIM( SN )//MODESUFF( IM ), NVEC, SPEC_VEC )\n IF ( KDX .NE. 0 ) OUT_VEC( KDX ) = .TRUE.\n END DO\n ELSE\n WRITE( LOGDEV, '(/,19A,A,1A,A,A,/,A,/,A,/,A,/,A,/,A,/,A)' ),\n & 'Attention: Species ',TRIM(SPECIES),':',TRIM(CHEM_NAME(ICHEM)),\n & ' was used in the CMAQ Miscellaneous',\n & ' Control Instructions but it is not a valid CMAQ ',\n & 'transported species or family. Please add it to one of the ',\n & 'input chemical namelists (ie. GC, AE, etc), if desired. If the ',\n & 'variable is on an emission file and not a CMAQ species, no ',\n & 'further action is required. Note that aerosol Number and Surface ',\n & 'Area Species are not valid for scaling.'\n END IF\n END DO\n END IF \n \n end subroutine map_chem_families\n\n end module util_Family_module\n" }, { "path": "CCTM/src/vadv/local_cons/vppm.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/work/rep/arc/CCTM/src/vadv/wrf/vppm.F,v 1.5 2011/10/21 16:11:40 yoj Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n#ifdef isam\n SUBROUTINE VPPM ( NI, DT, DS, FLX, VEL, CON, SA_CON )\n#elif sens\n SUBROUTINE VPPM ( NI, DT, DS, FLX, VEL, CON, SEN )\n#else\n SUBROUTINE VPPM ( NI, DT, DS, FLX, VEL, CON )\n#endif\n \nC----------------------------------------------------------------------\nC Function \nC This is the one-dimensional implementation of piecewise parabolic\nC method. Variable grid spacing is allowed. The scheme is positive\nC definite and monotonic. It is conservative, and causes small\nC numerical diffusion.\n \nC A piecewise continuous parabola is used as the intepolation polynomial.\nC The slope of the parabola at cell edges are computed from a cumulative\nC function of the advected quantity. These slopes are further modified\nC so that the interpolation function is monotone. For more detailed\nC information see:\n \nC Colella, P., and P. L. Woodward, (1984), \"The Piecewise Parabolic\nC Method (PPM) for Gas-Dynamical Simulations,\" J. Comput. Phys. 54,\nC 174-201.\n \nC The concentrations at boundary cells (i.e., at 1 and NI) are not\nC computed here. They should be updated according to the boundary\nC conditions.\n \nC The following definitions are used:\n \nC |---------------> Positive direction\nC \nC -->|Boundary|<----------------Main Grid----------------->|Boundary|<--\nC \nC |---><---|---><---| ~|---><---|~ |---><---|---><---|\nC CON(0) CON(1) CON(i) CON(n) CON(n+1)\nC \nC VEL(1)<->| VEL(i)<->| |<->VEL(i+1) |<->VEL(n+1)\nC \nC FP(0)-->| FP(i-1)-->| |-->FP(i) |-->FP(n)\nC \nC FM(1)<--| FM(i)<--| |<--FM(i+1) |<--FM(n+1)\nC \nC -->| DS(i) |<--\n \nC----------------------------------------------------------------------\n \nC Revision History:\n \nC 20 April, 1993 by M. Talat Odman at NCSC: \nC Created based on Colella and Woodward (1984)\n \nC 15 Sept., 1993 by Daewon Byun at EPA:\nC Original code obtained from Phillip Colella at Berkeley\n \nC 29 Nov., 1993 by M. Talat Odman at NCSC:\nC Found no difference from original code\n \nC 05 Oct., 1993 by M. Talat Odman at NCSC:\nC Modified for EDSS archive, made discontinuity capturing an option\n \nC Sep 97 - Jeff\nC Aug 98 - Jeff - optimize for mesh coefficients\n\nC 06/16/04 by Peter Percell & Daewon Byun at UH-IMAQS:\nC - Fixed bug in using fluxes in non-uniform grids to update concentrations\n\nC 07 Dec 04 J.Young: vert dyn alloc - Use VGRD_DEFN\nC 08 May 09 J.Young: dimension CON with species; eliminate \"STEEPEN\" option\n\nC 18 Nov 09 J.Young: combine PPM velocity adjustment and vertically advected\nC concentrations on one code\nC 21 Jun 10 J.Young: convert for Namelist redesign\nC 16 Feb 11 S.Roselle: replaced I/O API include files with UTILIO_DEFN\nC 31 Jul 12 J.Bash: Changed the adjustment to VEL to be the square root\nC of the flux*dt over the estimated flux*dt because\nC the relationship between the flux and velocity is \nC roughly a second order polynomial and adjustments\nC under conditions with CFL near 1 could result in \nC errors using a linear approximation. \nC 11 Dec 19 S.L.Napelenok: ddm-3d implementation for version 5.3.1\nC----------------------------------------------------------------------\n \n USE CGRID_SPCS ! CGRID mechanism species\n USE UTILIO_DEFN\n#ifdef isam\n USE SA_DEFN\n#elif sens\n USE DDM3D_DEFN, ONLY : NP, NPMAX\n#endif\n\n IMPLICIT NONE\n \nC Includes:\n \n INTEGER, SAVE :: N_SPC_ADV\n\nC Arguments:\n \n INTEGER, INTENT( IN ) :: NI ! number of zones (cells)\n REAL, INTENT( IN ) :: DS ( NI ) ! distance between zone (cell) boundaries\n REAL, INTENT( IN ) :: FLX( NI+1 ) ! fluxes at zone (cell) boundaries\n REAL, INTENT( IN ) :: DT ! time step\n REAL, INTENT( INOUT ) :: VEL( NI+1 ) ! velocities at zone (cell) boundaries\n REAL, INTENT( INOUT ) :: CON( :,: ) ! concs in a vertical column\n#ifdef isam\nCkrt\n REAL, INTENT( INOUT ) :: SA_CON( NI,N_SPCTAG )\n#endif\n\n!!! NOTE: Even tho' VEL is not used on output, declaring it as INTENT(IN) causes the\n!!! code to fail. ifort compiler error?\n \nC Parameters:\n \n REAL, PARAMETER :: TWO3RDS = 2.0 / 3.0\n REAL, PARAMETER :: EPSF = 0.001\n \nC Local variables:\n \n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n CHARACTER( 120 ) :: XMSG = ' '\n\n REAL :: FM ( 1:NI+1 ) ! outflux from left or bottom of cell\n REAL :: FP ( 0:NI ) ! outflux from right or top of cell\n REAL :: CR ( 1:NI ) ! zone R.H. intercept\n REAL :: CL ( 1:NI ) ! zone L.H. intercept\n REAL :: DC ( 1:NI ) ! CR - CL\n REAL :: C6 ( 1:NI ) ! coefficient of second-order term\n REAL :: CN ( 1:NI ) ! local con\n\n REAL X ! Courant number\n REAL Y ! removed zone slab\n REAL FDN, FUP ! upstream donor cell versions of fm, fp\n INTEGER ICNT ! no. of times fdn, fup exceeds fm, fp error range\n \n INTEGER I, S ! loop index\n INTEGER, PARAMETER :: MAXCNT = 50\n\n#ifdef sens\n REAL, INTENT( INOUT ) :: SEN( :,:,: )\n#endif\n\nC----------------------------------------------------------------------\n \n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n N_SPC_ADV = N_GC_TRNS + N_AE_TRNS + N_NR_TRNS + N_TR_ADV + 1 ! for advecting Rho_J\n END IF ! FIRSTIME\n\n DO I = 1, NI\n CN( I ) = CON( I,N_SPC_ADV ) ! N_SPC_ADV is transported RhoJ index\n END DO\n\n CALL PPM ( NI, DT, DS, CN, CR, CL, DC, C6 )\n\nc set all fluxes to zero. either positive or negative flux will\nc remain zero depending on the sign of the velocity.\n\nc fm: function for mass leaving interval i at lower face (i-1/2)\nc = length of segment leaving * integral average concentration in that segment:\nc length of segment leaving = y = -v(i)dt\nc segment integral ave. conc. = cl(i) + 1/2[c6(i)+dc(i)]dx -1/3[c6(i)]dx**2\nc fp: function for mass leaving interval i at upper face (i+1/2)\nc = length of segment leaving * integral average concentration in that segment:\nc length of segment leaving = y = v(i+1)dt\nc segment integral ave. conc. = cr(i) + 1/2[c6(i)-dc(i)]dx -1/3[c6(i)]dx**2\n\n FM( 1:NI+1 ) = 0.0\n FP( 0:NI ) = 0.0 \n\n DO I = 1, NI\n IF ( VEL( I ) .LT. 0.0 ) THEN\n FDN = -FLX( I ) * DT\n ICNT = 0\n66 CONTINUE\n Y = -VEL( I ) * DT\n X = Y / DS( I )\n FM( I ) = Y * ( CL( I ) + 0.5 * X\n & * ( DC( I ) + C6( I ) * ( 1.0 - TWO3RDS * X ) ) )\n IF ( ABS( FM( I ) - FDN ) .GT. EPSF * FDN ) THEN\n VEL( I ) = VEL( I ) * SQRT( FDN / FM( I ) )\n ICNT = ICNT + 1\n! if ( vel( i ) .ge. 0.0 ) then\n! write( *,2013 ) '@#@ icnt,i,fdn,fm,vel changed sign: ',\n! & icnt, i, fdn, fm( i ), vel( i )\n2013 format( a, 2i4, 2( f15.5 ), 1pe15.3 )\n! end if\n IF ( ICNT .GT. MAXCNT ) THEN\n XMSG = ' max iterations exceeded in vppm at 66'\n CALL M3EXIT( 'VPPM', 0, 0, XMSG, XSTAT1 ) \n END IF\n GO TO 66\n END IF\n END IF\n IF ( VEL( I+1 ) .GT. 0.0 ) THEN\n FUP = FLX( I+1 ) * DT\n ICNT = 0\n77 CONTINUE\n Y = VEL( I+1 ) * DT\n X = Y / DS( I )\n FP( I ) = Y * ( CR( I ) - 0.5 * X\n & * ( DC( I ) - C6( I ) * ( 1.0 - TWO3RDS * X ) ) )\n IF ( ABS( FP( I ) - FUP ) .GT. EPSF * FUP ) THEN\n VEL( I+1 ) = VEL( I+1 ) * SQRT( FUP / FP( I ) )\n ICNT = ICNT + 1\n! if ( vel( i+1 ) .le. 0.0 ) then\n! write( *,2013 ) '@#@ icnt,i,fup,fp,vel changed sign: ',\n! & icnt, i, fdn, fm( i ), vel( i+1 )\n! end if\n IF ( ICNT .GT. MAXCNT ) THEN\n XMSG = ' max iterations exceeded in vppm at 77'\n CALL M3EXIT( 'VPPM', 0, 0, XMSG, XSTAT1 ) \n END IF\n GO TO 77\n END IF\n END IF\n END DO\n\n DO 501 S = 1, N_SPC_ADV\n\n DO I = 1, NI\n CN( I ) = CON( I,S )\n END DO\n\n CALL PPM ( NI, DT, DS, CN, CR, CL, DC, C6 )\n\n FM( 1:NI+1 ) = 0.0\n FP( 0:NI ) = 0.0\n\n DO I = 1, NI\n\n IF ( VEL( I ) .LT. 0.0 ) THEN\n Y = -VEL( I ) * DT\n X = Y / DS( I )\n FM( I ) = Y * ( CL( I ) + 0.5 * X\n & * ( DC( I ) + C6( I ) * ( 1.0 - TWO3RDS * X ) ) )\n END IF\n\n IF ( VEL( I+1 ) .GT. 0.0 ) THEN\n Y = VEL( I+1 ) * DT\n X = Y / DS( I )\n FP( I ) = Y * ( CR( I ) - 0.5 * X\n & * ( DC( I ) - C6( I ) * ( 1.0 - TWO3RDS * X ) ) )\n END IF\n\n END DO\n\nc compute fluxes for top face\n\n I = NI+1\n IF ( VEL( I ) .LT. 0.0 ) THEN\n Y = -VEL( I ) * DT\n FM( I ) = Y * CON( I-1,S )\n END IF\n\n DO I = 1, NI\n CON( I,S ) = CON( I,S )\n & + ( FP( I-1 ) - FP( I ) + FM( I+1 ) - FM( I ) ) / DS( I )\n END DO\n\n501 CONTINUE\n\n#ifdef isam\nCkrt Back up the SA_CON.....\n DO 602 S = 1, N_SPCTAG\n\n DO I = 1, NI\n CN( I ) = SA_CON( I,S )\n END DO\n\n CALL PPM ( NI, DT, DS, CN, CR, CL, DC, C6 )\n\n FM( 1:NI+1 ) = 0.0\n FP( 0:NI ) = 0.0\n\n DO I = 1, NI\n\n IF ( VEL( I ) .LT. 0.0 ) THEN\n Y = -VEL( I ) * DT\n X = Y / DS( I )\n FM( I ) = Y * ( CL( I ) + 0.5 * X\n & * ( DC( I ) + C6( I ) * ( 1.0 - TWO3RDS * X ) ) )\n END IF ! vel < 0 ?\n\n IF ( VEL( I+1 ) .GT. 0.0 ) THEN\n Y = VEL( I+1 ) * DT\n X = Y / DS( I )\n FP( I ) = Y * ( CR( I ) - 0.5 * X\n & * ( DC( I ) - C6( I ) * ( 1.0 - TWO3RDS * X ) ) )\n END IF ! vel > 0 ?\n\n END DO ! loop I\n\nc compute fluxes for top face\n\n I = NI+1\n IF ( VEL( I ) .LT. 0.0 ) THEN\n Y = -VEL( I ) * DT\n FM( I ) = Y * SA_CON( I-1,S )\n END IF\n\nCkrt... Advect the apportioning tags ......\n DO I = 1, NI\n SA_CON( I,S ) = SA_CON( I,S )\n & + ( FP( I-1 ) - FP( I ) + FM( I+1 ) - FM( I ) ) / DS( I )\n END DO\n\n602 CONTINUE\n#endif\n\n#ifdef sens\n DO NP = 1, NPMAX\n\n DO 701 S = 1, N_SPC_ADV\n\n DO I = 1, NI\n CN( I ) = SEN( I,S,NP )\n END DO\n\n CALL PPM ( NI, DT, DS, CN, CR, CL, DC, C6 )\n\n FM( 1:NI+1 ) = 0.0\n FP( 0:NI ) = 0.0\n\n DO I = 1, NI\n\n IF ( VEL( I ) .LT. 0.0 ) THEN\n Y = -VEL( I ) * DT\n X = Y / DS( I )\n FM( I ) = Y * ( CL( I ) + 0.5 * X\n & * ( DC( I ) + C6( I ) * ( 1.0 - TWO3RDS * X ) ) )\n END IF\n\n IF ( VEL( I+1 ) .GT. 0.0 ) THEN\n Y = VEL( I+1 ) * DT\n X = Y / DS( I )\n FP( I ) = Y * ( CR( I ) - 0.5 * X\n & * ( DC( I ) - C6( I ) * ( 1.0 - TWO3RDS * X ) ) )\n END IF\n\n END DO\n\nc compute fluxes for top face\n\n I = NI+1\n IF ( VEL( I ) .LT. 0.0 ) THEN\n Y = -VEL( I ) * DT\n FM( I ) = Y * SEN ( I-1,S,NP )\n END IF\n\n DO I = 1, NI\n SEN( I,S,NP ) = SEN( I,S,NP )\n & + ( FP( I-1 ) - FP( I ) + FM( I+1 ) - FM( I ) ) / DS( I )\n END DO\n\n701 CONTINUE\n\n END DO\n#endif\n\n\n\n RETURN\n END SUBROUTINE VPPM\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE PPM ( NI, DT, DS, CN, CR, CL, DC, C6 )\n\nC get ppm coefficients CR, CL, DC, and C6\n\n USE UTILIO_DEFN\n\n IMPLICIT NONE\n\nC arguments:\n\n INTEGER, INTENT( IN ) :: NI ! number of zones (cells)\n REAL, INTENT( IN ) :: DT ! time step\n REAL, INTENT( IN ) :: DS( NI ) ! distance between zone (cell) boundaries\n REAL, INTENT( IN ) :: CN( NI ) ! concentrations in a vertical column\n REAL, INTENT( INOUT ) :: CR( NI ) ! zone r.h. intercept\n REAL, INTENT( INOUT ) :: CL( NI ) ! zone l.h. intercept\n REAL, INTENT( INOUT ) :: DC( NI ) ! CR - CL\n REAL, INTENT( INOUT ) :: C6( NI ) ! coefficient of second-order term\n\nC local variables:\n\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n INTEGER ALLOCSTAT\n CHARACTER( 120 ) :: XMSG = ' '\n\n REAL A, B, C ! temp lattice vars.\n\n REAL, ALLOCATABLE, SAVE :: ALPHA ( : ) ! temp lattice var.\n REAL, SAVE :: BETA\n REAL, ALLOCATABLE, SAVE :: CHI ( : ) ! lattice var. for dc\n REAL, ALLOCATABLE, SAVE :: PSI ( : ) ! lattice var. for dc\n REAL, ALLOCATABLE, SAVE :: MU ( : ) ! lattice var. for cm\n REAL, ALLOCATABLE, SAVE :: NU ( : ) ! lattice var. for cm\n REAL, ALLOCATABLE, SAVE :: LAMBDA( : ) ! lattice var. for cm\n REAL, ALLOCATABLE, SAVE :: CM ( : ) ! zone r.h. trial intercept\n\n INTEGER I\n\nC----------------------------------------------------------------------\n\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n\n ALLOCATE ( ALPHA ( 2:NI-1 ),\n & CHI ( 2:NI-1 ),\n & PSI ( 2:NI-1 ),\n & MU ( 2:NI-2 ),\n & NU ( 2:NI-2 ),\n & LAMBDA( 2:NI-2 ),\n & CM ( 1:NI+1 ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating '\n & // 'ALPHA, MU, NU, LAMBDA, CHI, PSI, OR CM'\n CALL M3EXIT( 'VPPM', 0, 0, XMSG, XSTAT1 )\n END IF\n\n DO I = 2, NI-1\n ALPHA( I ) = DS( I ) + DS( I+1 )\n BETA = DS( I-1 ) + DS( I )\n C = DS( I ) / ( BETA + DS( I+1 ) )\n CHI( I ) = C * ( DS( I-1 ) + BETA ) / ALPHA( I )\n PSI( I ) = C * ( ALPHA( I ) + DS( I+1 ) ) / BETA\n END DO\n DO I = 2, NI-2\n A = DS( I ) / ALPHA( I )\n B = 2.0 * DS( I+1 ) / ALPHA( I )\n C = 1.0 / ( DS( I-1 ) + ALPHA( I ) + DS( I+2 ) )\n MU( I ) = C * DS( I )\n & * ( DS( I-1 ) + DS( I ) ) / ( DS( I ) + ALPHA( I ) )\n NU( I ) = C * DS( I+1 )\n & * ( DS( I+1 ) + DS( I+2 ) ) / ( DS( I+1 ) + ALPHA( I ) )\n LAMBDA( I ) = A + MU( I ) * B - 2.0 * NU( I ) * A\n END DO\n\n END IF ! FIRSTIME\n\nC zeroth order polynomial at the boundary cells\nC first order polynomial at the next cells, no monotonicity constraint needed\n\n CM( 1 ) = CN( 1 )\n CM( 2 ) = ( DS( 1 ) * CN( 2 ) + DS( 2 ) * CN( 1 ) )\n & / ( DS( 1 ) + DS( 2 ) )\n CM( NI+1 ) = CN( NI )\n CM( NI ) = ( DS( NI-1 ) * CN( NI ) + DS( NI ) * CN( NI-1 ) )\n & / ( DS( NI-1 ) + DS( NI ) )\n\nC second order polynomial inside the domain\n\n DO 101 I = 2, NI-1\n\nC compute average slope in zone i\n\n DC( I ) = CHI( I ) * ( CN( I+1 ) - CN( I ) )\n & + PSI( I ) * ( CN( I ) - CN( I-1 ) ) ! equation (1.7)\n\nC guarantee that cm lies between con(i) and con(i+1) - monotonicity constraint\n\n IF ( ( CN( I+1 ) - CN( I ) ) * ( CN( I ) - CN( I-1 ) ) .GT. 0.0 ) THEN\n DC( I ) = SIGN( 1.0, DC( I ) ) * MIN(\n & ABS( DC( I ) ),\n & 2.0 * ABS( CN( I+1 ) - CN( I ) ),\n & 2.0 * ABS( CN( I ) - CN( I-1 ) ) )\n ELSE\n DC( I ) = 0.0\n END IF ! equation (1.8)\n\n101 CONTINUE\n\n DO I = 2, NI-2 ! equation (1.6)\n CM( I+1 ) = CN( I ) + LAMBDA( I ) * ( CN( I+1 ) - CN( I ) )\n & - MU( I ) * DC( I+1 ) + NU( I ) * DC( I )\n END DO\n\nC generate piecewise parabolic distributions\n\n DO 301 I = 1, NI\n\n CR( I ) = CM( I+1 ) ! equation (1.15)\n CL( I ) = CM( I )\n\nC monotonicity\n\n IF ( ( CR( I ) - CN( I ) ) * ( CN( I ) - CL( I ) ) .GT. 0.0 ) THEN\n\n DC( I ) = CR( I ) - CL( I ) ! temporary computation of dc and c6\n C6( I ) = 6.0 * ( CN( I ) - 0.5 * ( CL( I ) + CR( I ) ) )\n\nC overshoot cases\n\n IF ( DC( I ) * C6( I ) .GT. DC( I ) * DC( I ) ) THEN\n CL( I ) = 3.0 * CN( I ) - 2.0 * CR( I )\n ELSE IF ( -DC( I ) * DC( I ) .GT. DC( I ) * C6( I ) ) THEN\n CR( I ) = 3.0 * CN( I ) - 2.0 * CL( I )\n END IF\n\n ELSE ! local extremum: interpolation function is set to be a constant\n CL( I ) = CN( I )\n CR( I ) = CN( I )\n\n END IF\n\n DC( I ) = CR( I ) - CL( I ) ! EQUATION (1.5)\n C6( I ) = 6.0 * ( CN( I ) - 0.5 * ( CL( I ) + CR( I ) ) )\n\n301 CONTINUE\n\n RETURN\n END SUBROUTINE PPM\n\n" }, { "path": "CCTM/src/vadv/local_cons/zadvyppm.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE ZADV ( CGRID, JDATE, JTIME, TSTEP )\n\nC-----------------------------------------------------------------------\nC Function:\nC Advection in the vertical, x3-direction:\nC The process time step is set equal to TSTEP\n \nC Preconditions:\nC Dates and times represented YYYYDDD:HHMMSS.\nC No \"skipped\" dates and times. Process time step divides TSTEP exactly\nC CGRID in transport units: SQRT{DET[metric tensor]}*concentration (Mass/Vol)\n \nC Subroutines and functions called:\nC TIME2SEC\n \nC Revision history:\nC 02/19/93 by M. Talat Odman at NCSC\nC 05/17/93 by Carlie J. Coats at NCSC: now uses INTERP3()\nC 06/14/94 by Dongming Hwang at NCSC: \nC include statement and subroutine name template\nC 10/15/95 by M. Talat Odman at NCSC: generalized coordinates\n\nC Sep 97 Jeff\nC Aug 98 Jeff better Courant condition tstep limit\n\nC David Wong, Sep. 1998\nC -- parallelized the code\n\nC 15 Dec 00 J.Young: move CGRID_MAP into f90 module\nC GLOBAL_RSUM -> Dave Wong's f90 stenex GLOBAL_SUM\nC GLOBAL_ISUM -> Dave Wong's f90 stenex GLOBAL_SUM\n\nC 28 Jul 01 J.Young: allocatable arrays ...\nC Since F90 does not preserve dummy argument array\nC indices, the 3rd dimension of WHAT has been changed\nC from 0:NLAYS to 1:NLAYS+1 for the sake of vcontvel\n\nC 03 Sep 01 David Wong\nC -- inserted F90 DEALLOCATE statement for NX3\nC \nC 1/03 - JP modified for Yamo mass conservation\nC Vertical velocity is diagnosed from mass continuity\nC vertical advection is upstream (no call to adv scheme)\n\nC 31 Jan 05 J.Young: dyn alloc - establish both horizontal & vertical\nC domain specifications in one module\nC 27 Apr 07 J.Young: Talat's First-order upstream (donor cell) algorithm\nC 30 Apr 09 J.Pleim, J.Young: Replace donor cell with ppm, adjust velocity\nC accordingly\nC 21 Aug 09 J.Young: Don't bypass VPPMY if ITER = 0\nC 18 Nov 09 J.Young: Combine VPPMY and VPPM functionality\nC 21 Jun 10 J.Young: convert for Namelist redesign\nC 16 Feb 11 S.Roselle: replaced I/O API include files with UTILIO_DEFN\nC 11 May 11 D.Wong: incorporated twoway model implementation\nC 02 Jan 14 J.Bash: Changed the subtime step when the CFL > 1 to be \nC the time needed for a CFL = 0.9. This provides a \nC longer subtime step for CFL < 10 and a shorter time\nC step for CFL > 10 than the earlier code.\nC 08 July 19 F. Sidi: Updated Code with CIO changes \nC 09 Sept 19 F. Sidi: Replaced L_CONC_WVEL & L_ACONC_WVEL (depreciated) with W_VEL \nC 11 Dec 19 S.L.Napelenok: ddm-3d implementation for version 5.3.1\nC-----------------------------------------------------------------------\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE CGRID_SPCS ! CGRID mechanism species\n USE WVEL_DEFN ! derived vertical velocity component\n USE CENTRALIZED_IO_MODULE, only : interpolate_var\n#ifdef parallel\n USE SE_MODULES ! stenex (using SE_GLOBAL_SUM_MODULE)\n#else\n USE NOOP_MODULES ! stenex (using NOOP_GLOBAL_SUM_MODULE)\n#endif\n USE UTILIO_DEFN\n\n#ifdef isam\n USE SA_DEFN ! 20120821\n#endif\n\n#ifdef snl_timing\n USE TIMING\n#endif\n \n#ifdef sens\n USE DDM3D_DEFN, ONLY: SENGRID, NPMAX, NP\n#endif \n\n IMPLICIT NONE\n\nC Includes:\n\n INCLUDE SUBST_FILES_ID ! file name parameters\n \nC Arguments:\n \n REAL, POINTER :: CGRID( :,:,:,: )\n INTEGER JDATE ! current model date, coded YYYYDDD\n INTEGER JTIME ! current model time, coded HHMMSS\n INTEGER TSTEP( 3 ) ! time step vector (HHMMSS)\n ! TSTEP(1) = local output step\n ! TSTEP(2) = sciproc sync. step (chem)\n ! TSTEP(3) = twoway model time step w.r.t. wrf time\n ! step and wrf/cmaq call frequency\n \nC Parameters:\n\n INTEGER, PARAMETER :: MAXITER = 30 ! error exit limit\n \nC Advected species dimension\n \n INTEGER, SAVE :: N_SPC_ADV\n\nC File Variables:\n\n REAL RHOJM( NCOLS,NROWS,NLAYS ) ! RhoJ (Kg/m**3) from Met file\n\nC Local variables:\n \n CHARACTER( 16 ) :: PNAME = 'ZADVYPPM'\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n\n INTEGER MTIME, MDATE\n! REAL CON1( NLAYS,N_SPC_ADV ) ! concentrations subset\n REAL, ALLOCATABLE, SAVE :: CON1( :,: ) ! concentrations subset\n REAL VEL ( NLAYS+1 ) ! Velocities in a N-S column\n REAL FLX ( NLAYS+1 ) ! upstream donor cell computed conc. flux\n REAL, ALLOCATABLE, SAVE :: DS ( : ) ! dx3 (dimensionless in sigma coord.)\n REAL DTSEC ! sync time step in seconds\n REAL DELT ! adjusted time step\n REAL FLUX ! intermediate flux\n \n! INTEGER, SAVE :: ADV_MAP( N_SPC_ADV ) ! global adv map to CGRID\n INTEGER, ALLOCATABLE, SAVE :: ADV_MAP( : ) ! global adv map to CGRID\n\n INTEGER COL, ROW, LVL, SPC, VAR ! loop counters\n INTEGER A2C\n INTEGER ITER\n\n CHARACTER( 96 ) :: XMSG = ' '\n REAL RJT( NLAYS ) ! local adjusted RHOJ\n REAL RJM( NLAYS ) ! local RHOJM at tstep + 1\n REAL DSTM ! subexpression\n REAL CC ! local Courant No.\n REAL DTNEW ! sub timestep\n REAL DSDT ! DS/DT\n INTEGER ALLOCSTAT\n REAL, ALLOCATABLE :: DBUFF ( :,:,: ) ! input for W_VEL\n REAL, ALLOCATABLE, SAVE :: JACF( :,:,: ) ! full-layer Jacobian\n REAL, ALLOCATABLE, SAVE :: MSFX2( :,: ) ! map scale factor ** 2\n\n\n#ifdef isam\n CHARACTER( 16 ), ALLOCATABLE, SAVE :: NAME_ADV( : )\n REAL :: SA_CON( NLAYS,N_SPCTAG )\n#endif\n\n#ifdef sens\n REAL, ALLOCATABLE, SAVE :: SEN1( :,:,: ) ! ( NLAYS,N_SPC_ADV,NPMAX ) sens subset\n#endif\n \n INTERFACE\n\n#ifdef isam\n SUBROUTINE VPPM ( NI, DT, DS, FLX, VEL, CON, SA_CON )\n USE SA_DEFN\n#elif sens\n SUBROUTINE VPPM ( NI, DT, DS, FLX, VEL, CON, SEN1 )\n#else\n SUBROUTINE VPPM ( NI, DT, DS, FLX, VEL, CON )\n#endif\n INTEGER, INTENT( IN ) :: NI\n REAL, INTENT( IN ) :: DT, DS( NI )\n REAL, INTENT( IN ) :: FLX( NI+1 )\n! REAL, INTENT( IN ) :: VEL( NI+1 )\n REAL, INTENT( INOUT ) :: VEL( NI+1 )\n REAL, INTENT( INOUT ) :: CON( :,: )\n#ifdef isam\n REAL, INTENT( INOUT ) :: SA_CON( NI,N_SPCTAG )\n#elif sens\n REAL, INTENT( INOUT ) :: SEN1( :,:,: )\n#endif\n END SUBROUTINE VPPM\n END INTERFACE\n\nC-----------------------------------------------------------------------\n\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n\n ALLOCATE ( DS( NLAYS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating DS'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n N_SPC_ADV = N_GC_TRNS + N_AE_TRNS + N_NR_TRNS + N_TR_ADV + 1\n ! add 1 for advecting RHOJ\n ALLOCATE ( CON1( NLAYS,N_SPC_ADV ),\n & ADV_MAP( N_SPC_ADV ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating CON1 or ADV_MAP'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n#ifdef isam\n ALLOCATE ( NAME_ADV( N_SPC_ADV ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating NAME_ADV'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n#endif\n\n#ifdef sens\n ALLOCATE ( SEN1( NLAYS,N_SPC_ADV,NPMAX ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating SEN1'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n#endif\n \nC Get default file header attibutes from MET_CRO_3D (assumes file already open)\n\nC Get dx3 from GRID_CONF module\n WRITE( LOGDEV,* ) ' '\n WRITE( LOGDEV,* ) ' layer S (X3FACE_GD) Delta S'\n DO LVL = 1, NLAYS\n DS ( LVL ) = ABS ( X3FACE_GD( LVL ) - X3FACE_GD( LVL-1 ) )\n WRITE( LOGDEV,'(5X, I3, 3F14.7)' ) LVL, X3FACE_GD( LVL ),\n & DS( LVL )\n END DO\n WRITE( LOGDEV,* ) ' '\n\nC Create global map to CGRID\n SPC = 0\n DO VAR = 1, N_GC_TRNS\n SPC = SPC + 1\n ADV_MAP( SPC ) = GC_STRT - 1 + GC_TRNS_MAP( VAR )\n#ifdef isam\n NAME_ADV( SPC ) = GC_TRNS( VAR ) ! KRT\n#endif\n END DO\n DO VAR = 1, N_AE_TRNS\n SPC = SPC + 1\n ADV_MAP( SPC ) = AE_STRT - 1 + AE_TRNS_MAP( VAR )\n#ifdef isam\n NAME_ADV( SPC ) = AE_TRNS( VAR ) ! KRT\n#endif\n END DO\n DO VAR = 1, N_NR_TRNS\n SPC = SPC + 1\n ADV_MAP( SPC ) = NR_STRT - 1 + NR_TRNS_MAP( VAR )\n#ifdef isam\n NAME_ADV( SPC ) = NR_TRNS( VAR ) ! KRT\n#endif\n END DO\n DO VAR = 1, N_TR_ADV\n SPC = SPC + 1\n ADV_MAP( SPC ) = TR_STRT - 1 + TR_ADV_MAP( VAR )\n#ifdef isam\n NAME_ADV( SPC ) = TR_ADV( VAR ) ! KRT\n#endif\n END DO\n \n ADV_MAP( N_SPC_ADV ) = RHOJ_LOC\n\n END IF ! if firstime\n\nC Time-stepped gridded computation for Z-direction advection.\n DTSEC = FLOAT( TIME2SEC( TSTEP( 2 ) ) ) ! process time step (seconds)\n\nC vertical velocities are at face centers, positive upward.\nC No boundary conditions are needed because VEL(1) = VEL(NLAYS+1) = 0\n\nC Get rho*J at end of sync step\n MDATE = JDATE\n MTIME = JTIME\n#ifdef snl_timing\n call start_timing( zadv_int, read_int, 1 )\n#endif\n\n CALL NEXTIME( MDATE, MTIME, TSTEP( 2 ) ) \n call interpolate_var ('DENSA_J', MDATE, MTIME, RHOJM)\n\n#ifdef snl_timing\n call stop_timing( zadv_int, read_int )\n#endif \n\n\n DO 333 ROW = 1, NROWS\n DO 222 COL = 1, NCOLS\n\n DO SPC = 1, N_SPC_ADV\n A2C = ADV_MAP( SPC )\n DO LVL = 1, NLAYS\n CON1( LVL,SPC ) = CGRID( COL,ROW,LVL,A2C )\n#ifdef sens\n DO NP = 1, NPMAX\n SEN1 ( LVL,SPC,NP ) = SENGRID( COL,ROW,LVL,NP,A2C )\n END DO\n#endif\n END DO\n END DO\n\n DO LVL = 1, NLAYS\n RJM( LVL ) = RHOJM( COL,ROW,LVL )\n END DO\n\n ITER = 0\n DELT = DTSEC\n VEL( 1 ) = 0.0 ! impermeable boundary condition at the surface\n FLX( 1 ) = 0.0\n\n\n\n#ifdef isam\nCkrt...import isam array into sa_con\n DO SPC = 1, N_SPCTAG\n DO LVL = 1, NLAYS\n SA_CON( LVL,SPC ) = ISAM( COL,ROW,LVL,S_SPCTAG( SPC ),T_SPCTAG( SPC ) )\n END DO\n END DO\n#endif\n\n\n111 CONTINUE\n\n FLUX = 0.0\n DO LVL = 1, NLAYS\n RJT( LVL ) = CON1( LVL,N_SPC_ADV )\n FLUX = FLUX - ( RJM( LVL ) - RJT( LVL ) ) * DS( LVL ) / DELT\n FLX( LVL+1 ) = FLUX\n END DO\n\n DO LVL = 2, NLAYS\n IF ( FLX( LVL ) .GE. 0.0 ) THEN\n VEL( LVL ) = FLX( LVL ) / RJT( LVL-1 )\n ELSE\n VEL( LVL ) = FLX( LVL ) / RJT( LVL )\n END If\n END DO\n\n VEL( NLAYS+1 ) = FLX( NLAYS+1 ) / RJT( NLAYS )\n\nC Find Maximum Courant Number\n\n CC = 0.0\n\n DO LVL = 2, NLAYS\n IF ( VEL( LVL ) .GT. 0.0 ) THEN\n CC = MAX ( CC, ( VEL( LVL ) * DELT / DS( LVL-1 ) ) )\n ELSE\n CC = MAX ( CC, ( -VEL( LVL ) * DELT / DS( LVL ) ) )\n END IF\n END DO\n\n LVL = NLAYS+1\n IF ( VEL( LVL ) .GT. 0.0 ) THEN\n CC = MAX ( CC, ( VEL( LVL ) * DELT / DS( LVL-1 ) ) )\n ELSE\n CC = MAX ( CC, ( -VEL( LVL ) * DELT / DS( LVL-1 ) ) )\n END IF\n\n IF ( CC .GT. 1.0 ) THEN ! courant number is larger than unity\n\nC Calculate a sub-time step that satisfies the Courant stability limit.\nC Perform vertical advection with the computed velocity and sub-time step.\nC Then calculate the difference between the original and sub-time steps.\nC The difference is the new sub-time step. Recompute vertical velocities\nC that would bring the air density field back to being uniform. Note that\nC if Courant number with the new velocity and sub-time step is larger than\nC unity again, then the last sub-time step would be split into further\nC sub-steps.\n\n DTNEW = MAX( 0.9 * DELT / CC ,1.0 )\n\n#ifdef isam\n CALL VPPM ( NLAYS, DTNEW, DS, FLX, VEL, CON1, SA_CON )\n#elif sens\n CALL VPPM ( NLAYS, DTNEW, DS, FLX, VEL, CON1, SEN1 )\n#else\n CALL VPPM ( NLAYS, DTNEW, DS, FLX, VEL, CON1 )\n#endif\n\n DELT = DELT - DTNEW\n\n ITER = ITER + 1\n IF ( ITER .GT. MAXITER ) THEN\n! if ( jtime .eq. 002500 .and. col .eq. 1 .and. row .eq. 53 ) then\n WRITE( LOGDEV,2005 ) COL, ROW, CC, DELT, ITER, JTIME\n2005 FORMAT( 'zadv col row CC', 8X, 'dt iter jtime'\n & / 'zzzz', 2I4, 1PE12.3, 0PF10.5, 1X, I4, I10.6\n & / 10X, 'MetRhoj', 3X, 'TrRhoj', 5X, 'Diff',\n & 4X, 'adv_rhoj', 3X, 'vel(l)', 6X, 'vel(l+1)' )\n DO LVL = 1, NLAYS\n WRITE( LOGDEV,2009 ) LVL, RJM( LVL ), RJT( LVL ),\n & RJM( LVL ) - RJT( LVL ),\n & CON1( LVL,N_SPC_ADV ),\n & VEL( LVL ), VEL( LVL+1 )\n END DO\n2009 FORMAT( 'zzz2', I3, 4F10.2, 2(1PE12.3) )\n WRITE( XMSG,2013 ) JTIME, TSTEP( 2 ), MAXITER\n2013 FORMAT( 'vert adv soln failed at', I7.6, ' with adv step:',\n & I7.6, ' HHMMSS', 2X, 'Max Iterations =', I3 )\n! if ( iter .gt. maxiter ) then\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT3 )\n! end if\n END IF\n\n GO TO 111\n\n END IF\n\n\n#ifdef isam\n CALL VPPM ( NLAYS, DELT, DS, FLX, VEL, CON1, SA_CON )\n#elif sens\n CALL VPPM ( NLAYS, DELT, DS, FLX, VEL, CON1, SEN1 )\n#else\n CALL VPPM ( NLAYS, DELT, DS, FLX, VEL, CON1 )\n#endif\n\n DO SPC = 1, N_SPC_ADV\n A2C = ADV_MAP( SPC )\n DO LVL = 1, NLAYS\n CGRID( COL,ROW,LVL,A2C ) = CON1( LVL,SPC )\n#ifdef sens\n DO NP = 1, NPMAX\n SENGRID( COL,ROW,LVL,NP,A2C ) = SEN1 ( LVL,SPC,NP )\n END DO\n#endif\n END DO\n END DO\n\n#ifdef isam\nCkrt...update ISAM with SA_CON....20120821\n DO SPC = 1, N_SPCTAG\n IF( TRANSPORT_SPC( SPC ) )THEN\n DO LVL = 1, NLAYS\n ISAM( COL,ROW,LVL,S_SPCTAG( SPC ),T_SPCTAG( SPC ) ) = SA_CON( LVL,SPC )\n END DO\n END IF \n END DO\n#endif\n IF ( W_VEL ) THEN ! If the user wants vertical velocity written to file, fill in global scope array (WY)\n DO LVL = 1, NLAYS\n WY( LVL,COL,ROW ) = VEL( LVL+1 )\n END DO\n END IF\n\n222 CONTINUE ! COL\n333 CONTINUE ! ROW\n\n IF ( W_VEL ) CALL GET_WVEL( JDATE,JTIME )\n\n RETURN\n END SUBROUTINE ZADV \n\n" }, { "path": "CCTM/src/vadv/wrf_cons/zadvppmwrf.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE ZADV ( CGRID, JDATE, JTIME, TSTEP )\n\nC-----------------------------------------------------------------------\nC Function:\nC Advection in the vertical, x3-direction:\nC The process time step is set equal to TSTEP\n\nC Preconditions:\nC Dates and times represented YYYYDDD:HHMMSS.\nC No \"skipped\" dates and times. Process time step divides TSTEP exactly\nC CGRID in transport units: SQRT{DET[metric tensor]}*concentration (Mass/Vol)\n\nC Subroutines and functions called:\nC TIME2SEC\n\nC Revision history:\nC 02/19/93 by M. Talat Odman at NCSC\nC 05/17/93 by Carlie J. Coats at NCSC: now uses INTERP3()\nC 06/14/94 by Dongming Hwang at NCSC:\nC include statement and subroutine name template\nC 10/15/95 by M. Talat Odman at NCSC: generalized coordinates\n\nC Sep 97 Jeff\nC Aug 98 Jeff better Courant condition tstep limit\n\nC David Wong, Sep. 1998\nC -- parallelized the code\n\nC 15 Dec 00 J.Young: move CGRID_MAP into f90 module\nC GLOBAL_RSUM -> Dave Wong's f90 stenex GLOBAL_SUM\nC GLOBAL_ISUM -> Dave Wong's f90 stenex GLOBAL_SUM\n\nC 28 Jul 01 J.Young: allocatable arrays ...\nC Since F90 does not preserve dummy argument array\nC indices, the 3rd dimension of WHAT has been changed\nC from 0:NLAYS to 1:NLAYS+1 for the sake of vcontvel\n\nC 03 Sep 01 David Wong\nC -- inserted F90 DEALLOCATE statement for NX3\nC\nC 1/03 - JP modified for Yamo mass conservation\nC Vertical velocity is diagnosed from mass continuity\nC vertical advection is upstream (no call to adv scheme)\n\nC 31 Jan 05 J.Young: dyn alloc - establish both horizontal & vertical\nC domain specifications in one module\nC 27 Apr 07 J.Young: Talat's First-order upstream (donor cell) algorithm\nC 30 Apr 09 J.Pleim, J.Young: Replace donor cell with ppm, adjust velocity\nC accordingly\nC 21 Aug 09 J.Young: Don't bypass VPPMY if ITER = 0\nC 18 Nov 09 J.Young: Combine VPPMY and VPPM functionality\nC 21 Jun 10 J.Young: convert for Namelist redesign\nC 16 Feb 11 S.Roselle: replaced I/O API include files with UTILIO_DEFN\nC 11 May 11 D.Wong: incorporated twoway model implementation\nC 31 Jul 12 J.Bash: Changed the zadv dt for cases where cc > 1 to be \nC more stable for conditions when cc > 10\nC 01 Feb 19 D.Wong: Implemented centralized I/O approach, removed all MY_N\nC clauses\nC 09 Sep 19 F. Sidi: Replaced L_CONC_WVEL & L_ACONC_WVEL (depreciated) with W_VEL\nC 11 Dec 19 S.L.Napelenok: ddm-3d implementation for version 5.3.1\nC-----------------------------------------------------------------------\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE CGRID_SPCS ! CGRID species number and offsets\n USE WVEL_DEFN ! derived vertical velocity component\n USE UTILIO_DEFN\n\n#ifdef isam\n USE SA_DEFN ! 20120821\n#endif\n\n#ifdef parallel\n USE SE_MODULES ! stenex (using SE_GLOBAL_SUM_MODULE)\n#else\n USE NOOP_MODULES ! stenex (using NOOP_GLOBAL_SUM_MODULE)\n#endif\n\n#ifdef snl_timing\n USE TIMING\n#endif\n USE CENTRALIZED_IO_MODULE, only : interpolate_var\n\n#ifdef sens\n USE DDM3D_DEFN, ONLY: SENGRID, NPMAX, NP\n#endif \n\n IMPLICIT NONE\n\nC Includes:\n\n INCLUDE SUBST_FILES_ID ! file name parameters\n\nC Arguments:\n\n REAL, POINTER :: CGRID( :,:,:,: )\n INTEGER JDATE ! current model date, coded YYYYDDD\n INTEGER JTIME ! current model time, coded HHMMSS\n INTEGER TSTEP( 3 ) ! time step vector (HHMMSS)\n ! TSTEP(1) = local output step\n ! TSTEP(2) = sciproc sync. step (chem)\n ! TSTEP(3) = twoway model time step w.r.t. wrf time\n ! step and wrf/cmaq call frequency\n\nC Parameters:\n\n INTEGER, PARAMETER :: MAXITER = 30 ! error exit limit\n\nC Advected species dimension\n\n INTEGER, SAVE :: N_SPC_ADV\n\nC File Variables:\n\n REAL RHOJM1( NCOLS,NROWS,NLAYS ) ! RhoJ from Met file at start of tstep\n REAL RHOJM2( NCOLS,NROWS,NLAYS ) ! RhoJ from Met file at end of tstep\n\nC Local variables:\n\n CHARACTER( 16 ) :: PNAME = 'ZADVYPPM'\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n! REAL UHATJD( NCOLS+1,NROWS+1,NLAYS ) ! x1-component CX-velocity\n! REAL VHATJD( NCOLS+1,NROWS+1,NLAYS ) ! x2-component CX-velocity\n\n INTEGER MTIME, MDATE\n! REAL CON1( NLAYS,N_SPC_ADV ) ! concentrations subset\n REAL, ALLOCATABLE, SAVE :: CON1( :,: ) ! concentrations subset\n REAL VEL ( NLAYS+1 ) ! Velocities in a N-S column\n REAL FLX ( NLAYS+1 ) ! upstream donor cell computed conc. flux\n REAL, ALLOCATABLE, SAVE :: DS ( : ) ! dx3 (dimensionless in sigma coord.)\n REAL DTSEC ! sync time step in seconds\n REAL DELT ! adjusted time step\n REAL FLUX ! intermediate flux\n\n! INTEGER, SAVE :: ADV_MAP( N_SPC_ADV ) ! global adv map to CGRID\n INTEGER, ALLOCATABLE, SAVE :: ADV_MAP( : ) ! global adv map to CGRID\n\n INTEGER COL, ROW, LVL, SPC, VAR ! loop counters\n INTEGER A2C\n INTEGER ITER\n\n CHARACTER( 96 ) :: XMSG = ' '\n REAL RJ1( NLAYS ) ! local adjusted RHOJ\n REAL RJ2( NLAYS ) ! local RHOJM at tstep + 1\n REAL RJT( NLAYS ) ! local adjusted RHOJ\n REAL DRJ, DUDX, DVDY\n REAL DIVV( NLAYS )\n REAL CC ! local Courant No.\n REAL DTNEW ! sub timestep\n REAL DSDT ! DS/DT\n REAL, ALLOCATABLE, SAVE :: FBLN( : ) ! blending function for upper layers\n INTEGER ALLOCSTAT\n\n#ifdef isam\n CHARACTER( 16 ), ALLOCATABLE, SAVE :: NAME_ADV( : )\n REAL :: SA_CON( NLAYS,N_SPCTAG )\n#endif\n\n#ifdef sens\n REAL, ALLOCATABLE, SAVE :: SEN1( :,:,: ) ! ( NLAYS,N_SPC_ADV,NPMAX ) sens subset\n#endif\n\n INTERFACE\n#ifdef isam\n SUBROUTINE VPPM ( NI, DT, DS, FLX, VEL, CON, SA_CON )\n USE SA_DEFN\n#elif sens\n SUBROUTINE VPPM ( NI, DT, DS, FLX, VEL, CON, SEN1 )\n#else\n SUBROUTINE VPPM ( NI, DT, DS, FLX, VEL, CON )\n#endif\n INTEGER, INTENT( IN ) :: NI\n REAL, INTENT( IN ) :: DT, DS( NI )\n REAL, INTENT( IN ) :: FLX( NI+1 )\n! REAL, INTENT( IN ) :: VEL( NI+1 )\n REAL, INTENT( INOUT ) :: VEL( NI+1 )\n REAL, INTENT( INOUT ) :: CON( :,: )\n#ifdef isam\n REAL, INTENT( INOUT ) :: SA_CON( NI,N_SPCTAG )\n#elif sens\n REAL, INTENT( INOUT ) :: SEN1( :,:,: )\n#endif\n END SUBROUTINE VPPM\n END INTERFACE\n\nC-----------------------------------------------------------------------\n\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n\n ALLOCATE ( DS( NLAYS ),FBLN( NLAYS ),STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating DS or FBLN'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n N_SPC_ADV = N_GC_TRNS + N_AE_TRNS + N_NR_TRNS + N_TR_ADV + 1\n ! add 1 for advecting RHOJ\n ALLOCATE ( CON1( NLAYS,N_SPC_ADV ),\n & ADV_MAP( N_SPC_ADV ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating CON1 or ADV_MAP'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n#ifdef isam\n ALLOCATE ( NAME_ADV( N_SPC_ADV ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating NAME_ADV'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n#endif\n\n#ifdef sens\n ALLOCATE ( SEN1( NLAYS,N_SPC_ADV,NPMAX ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating SEN1'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n#endif\n\nC Get default file header attibutes from MET_CRO_3D (assumes file already open)\n\nC Get dx3 from the GRID_CONF(VGRD) F90 module\n! WRITE( LOGDEV,* ) ' '\n! WRITE( LOGDEV,* ) ' layer S (X3FACE_GD) Delta S'\n DO LVL = 1, NLAYS\n DS ( LVL ) = ABS ( X3FACE_GD( LVL ) - X3FACE_GD( LVL-1 ) )\n! FBLN( LVL ) = 1.0 - 1.0 / ( 1.0 + EXP( 15.0 * ( X3FACE_GD( LVL ) - 0.5 ) ) )\n FBLN( LVL ) = 1.0\n! WRITE( LOGDEV,'(5X, I3, 3F14.7)' ) LVL, X3FACE_GD( LVL ),\n! & DS( LVL ), FBLN(LVL)\n END DO\n! WRITE( LOGDEV,* ) ' '\n\nC Create global map to CGRID\n SPC = 0\n DO VAR = 1, N_GC_TRNS\n SPC = SPC + 1\n ADV_MAP( SPC ) = GC_STRT - 1 + GC_TRNS_MAP( VAR )\n#ifdef isam\n NAME_ADV( SPC ) = GC_TRNS( VAR ) ! KRT\n#endif\n END DO\n DO VAR = 1, N_AE_TRNS\n SPC = SPC + 1\n ADV_MAP( SPC ) = AE_STRT - 1 + AE_TRNS_MAP( VAR )\n#ifdef isam\n NAME_ADV( SPC ) = AE_TRNS( VAR ) ! KRT\n#endif\n END DO\n DO VAR = 1, N_NR_TRNS\n SPC = SPC + 1\n ADV_MAP( SPC ) = NR_STRT - 1 + NR_TRNS_MAP( VAR )\n#ifdef isam\n NAME_ADV( SPC ) = NR_TRNS( VAR ) ! KRT\n#endif\n END DO\n DO VAR = 1, N_TR_ADV\n SPC = SPC + 1\n ADV_MAP( SPC ) = TR_STRT - 1 + TR_ADV_MAP( VAR )\n#ifdef isam\n NAME_ADV( SPC ) = TR_ADV( VAR ) ! KRT\n#endif\n END DO\n \n ADV_MAP( N_SPC_ADV ) = RHOJ_LOC\n\n END IF ! if firstime\n\nC Time-stepped gridded computation for Z-direction advection.\n DTSEC = FLOAT( TIME2SEC( TSTEP( 2 ) ) ) ! process time step (seconds)\n\nC vertical velocities are at face centers, positive upward.\nC No boundary conditions are needed because VEL(1) = VEL(NLAYS+1) = 0\n\nC Get rho*J at start of sync step\n MDATE = JDATE\n MTIME = JTIME\n#ifdef snl_timing\n call start_timing( zadv_int, read_int, 1 )\n#endif\n call interpolate_var ('DENSA_J', mdate, mtime, RHOJM1)\n\n#ifdef snl_timing\n call stop_timing( zadv_int, read_int )\n#endif\n\nC Get rho*J at end of sync step\n CALL NEXTIME( MDATE, MTIME, TSTEP( 2 ) )\n#ifdef snl_timing\n call start_timing( zadv_int, read_int, 1 )\n#endif\n call interpolate_var ('DENSA_J', mdate, mtime, RHOJM2)\n\n#ifdef snl_timing\n call stop_timing( zadv_int, read_int )\n#endif\n\n DO 333 ROW = 1, NROWS\n DO 222 COL = 1, NCOLS\n\n DO SPC = 1, N_SPC_ADV\n A2C = ADV_MAP( SPC )\n DO LVL = 1, NLAYS\n CON1( LVL,SPC ) = CGRID( COL,ROW,LVL,A2C )\n#ifdef sens\n DO NP = 1, NPMAX\n SEN1 ( LVL,SPC,NP ) = SENGRID( COL,ROW,LVL,NP,A2C )\n END DO\n#endif\n END DO\n END DO\n\n DO LVL = 1, NLAYS\n RJ1( LVL ) = RHOJM1( COL,ROW,LVL )\n RJ2( LVL ) = RHOJM2( COL,ROW,LVL )\n END DO\n\n ITER = 0\n DELT = DTSEC\n VEL( 1 ) = 0.0 ! impermeable boundary condition at the surface\n FLX( 1 ) = 0.0\n DRJ = 0.0\n DO LVL = 1, NLAYS\n DSDT = DS( LVL ) / DELT ! initial for this col/row\n RJT( LVL ) = CON1( LVL,N_SPC_ADV ) ! initial for this col/row\n! DUDX = ( UHATJD( COL+1,ROW,LVL ) - UHATJD( COL,ROW,LVL ) ) / XCELL_GD\n! DVDY = ( VHATJD( COL,ROW+1,LVL ) - VHATJD( COL,ROW,LVL ) ) / YCELL_GD\n! DIVV( LVL ) = DUDX * DS( LVL ) + DVDY * DS( LVL )\n DIVV( LVL ) = ( RJ1( LVL ) - RJT( LVL ) ) * DSDT\n DRJ = DRJ - DIVV( LVL )\n END DO\n\n#ifdef isam\nCkrt...import isam array into sa_con\n DO SPC = 1, N_SPCTAG\n DO LVL = 1, NLAYS\n SA_CON( LVL,SPC ) = ISAM( COL,ROW,LVL,S_SPCTAG( SPC ),T_SPCTAG( SPC ) )\n END DO\n END DO\n#endif\n \n111 CONTINUE ! iteration loop if CC > 1\n\n FLUX = 0.0\n DO LVL = 1, NLAYS\n RJT( LVL ) = CON1( LVL,N_SPC_ADV )\n!----Yamo part\n DSDT = DS( LVL ) / DELT\n FLUX = FLUX - DSDT * ( RJ2( LVL ) - RJT( LVL ) )\n FLX( LVL+1 ) = FLX( LVL ) - DS( LVL ) * DRJ - DIVV( LVL )\n FLX( LVL+1 ) = FBLN( LVL ) * FLX( LVL+1 ) + ( 1.0 - FBLN( LVL ) ) * FLUX\n FLUX = FLX( LVL+1 )\n END DO\n\n DO LVL = 2, NLAYS\n IF ( FLX( LVL ) .GE. 0.0 ) THEN\n VEL( LVL ) = FLX( LVL ) / RJT( LVL-1 )\n ELSE\n VEL( LVL ) = FLX( LVL ) / RJT( LVL )\n END IF\n END DO\n\n VEL( NLAYS+1 ) = FLX( NLAYS+1 ) / RJT( NLAYS )\n\nC Find Maximum Courant Number\n\n CC = 0.0\n DTNEW = DELT\n\n DO LVL = 2, NLAYS\n IF ( VEL( LVL ) .GT. 0.0 ) THEN\n CC = MAX ( CC, ( VEL( LVL ) * DELT / DS( LVL-1 ) ) )\n DTNEW = MIN( DTNEW, 0.9 * DELT / CC )\n ELSE\n CC = MAX ( CC, ( -VEL( LVL ) * DELT / DS( LVL ) ) )\n ! DTNEW = MIN( DTNEW, DELT / MAX( CC, 0.9 ) )\n DTNEW = MIN( DTNEW, 0.9 * DELT / MAX( CC, 1.0 ) ) ! MAX in case vel = 0\n END IF\n END DO\n\n LVL = NLAYS+1\n IF ( VEL( LVL ) .GT. 0.0 ) THEN\n CC = MAX ( CC, ( VEL( LVL ) * DELT / DS( LVL-1 ) ) )\n DTNEW = MIN( DTNEW, 0.9 * DELT / CC )\n ELSE\n CC = MAX ( CC, ( -VEL( LVL ) * DELT / DS( LVL-1 ) ) )\n ! DTNEW = MIN( DTNEW, DELT / MAX( CC, 0.9 ) )\n DTNEW = MIN( DTNEW, 0.9 * DELT / MAX( CC, 1.0 ) ) ! MAX in case vel = 0\n END IF\n\n IF ( CC .GT. 1.0 ) THEN ! courant number is larger than unity\n\nC Calculate a sub-time step that satisfies the Courant stability limit.\nC Perform vertical advection with the computed velocity and sub-time step.\nC Then calculate the difference between the original and sub-time steps.\nC The difference is the new sub-time step. Recompute vertical velocities\nC that would bring the air density field back to being uniform. Note that\nC if Courant number with the new velocity and sub-time step is larger than\nC unity again, then the last sub-time step would be split into further\nC sub-steps.\n\n DTNEW = MAX( DTNEW, 1.0 ) \n\n#ifdef isam\n CALL VPPM ( NLAYS, DTNEW, DS, FLX, VEL, CON1, SA_CON )\n#elif sens\n CALL VPPM ( NLAYS, DTNEW, DS, FLX, VEL, CON1, SEN1 )\n#else\n CALL VPPM ( NLAYS, DTNEW, DS, FLX, VEL, CON1 )\n#endif\n DELT = DELT - DTNEW\n\n ITER = ITER + 1\n IF ( ITER .GT. MAXITER ) THEN\n WRITE( LOGDEV,2005 ) COL, ROW, CC, DELT, ITER, JTIME\n2005 FORMAT( 'zadv col row CC', 8X, 'dt iter jtime'\n & / 'zzzz', 2I4, 1PE12.3, 0PF10.5, 1X, I4, I10.6\n & / 10X, 'MetRhoj', 3X, 'TrRhoj', 5X, 'Diff',\n & 4X, 'adv_rhoj', 3X, 'vel(l)', 6X, 'vel(l+1)' )\n DO LVL = 1, NLAYS\n WRITE( LOGDEV,2009 ) LVL, RJ2( LVL ), RJT( LVL ),\n & RJ2( LVL ) - RJT( LVL ),\n & CON1( LVL,N_SPC_ADV ),\n & VEL( LVL ), VEL( LVL+1 )\n END DO\n2009 FORMAT( 'zzz2', I3, 4F10.2, 2(1PE12.3) )\n WRITE( XMSG,2013 ) JTIME, TSTEP( 2 ), MAXITER\n2013 FORMAT( 'vert adv soln failed at', I7.6, ' with adv step:',\n & I7.6, ' HHMMSS', 2X, 'Max Iterations =', I3 )\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT3 )\n END IF\n\n GO TO 111\n\n END IF\n\n#ifdef isam\n CALL VPPM ( NLAYS, DELT, DS, FLX, VEL, CON1, SA_CON )\n#elif sens\n CALL VPPM ( NLAYS, DELT, DS, FLX, VEL, CON1, SEN1 )\n#else\n CALL VPPM ( NLAYS, DELT, DS, FLX, VEL, CON1 )\n#endif\n DO SPC = 1, N_SPC_ADV\n A2C = ADV_MAP( SPC )\n DO LVL = 1, NLAYS\n CGRID( COL,ROW,LVL,A2C ) = CON1( LVL,SPC )\n#ifdef sens\n DO NP = 1, NPMAX\n SENGRID( COL,ROW,LVL,NP,A2C ) = SEN1 ( LVL,SPC,NP )\n END DO\n#endif\n END DO\n END DO\n\n#ifdef isam\nCkrt...update ISAM with SA_CON....20120821\n DO SPC = 1, N_SPCTAG\n IF( TRANSPORT_SPC( SPC ) )THEN\n DO LVL = 1, NLAYS\n ISAM( COL,ROW,LVL,S_SPCTAG( SPC ),T_SPCTAG( SPC ) ) = SA_CON( LVL,SPC )\n END DO\n END IF \n END DO\n#endif\n IF ( W_VEL ) THEN ! If the user wants vertical velocity written to file, fill in global scope array (WY)\n DO LVL = 1, NLAYS\n WY( LVL,COL,ROW ) = VEL( LVL+1 )\n END DO\n END IF \n\n222 CONTINUE ! COL\n333 CONTINUE ! ROW\n\n IF ( W_VEL ) CALL GET_WVEL( JDATE,JTIME )\n\n RETURN\n END SUBROUTINE ZADV\n" }, { "path": "CCTM/src/vdiff/acm2_m3dry/ASX_DATA_MOD.F", "content": "!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n Module ASX_DATA_MOD\n\nC-----------------------------------------------------------------------\nC Function: User-defined types\n\nC Revision History:\nC 19 Aug 2014 J.Bash: initial implementation\nC 17 July 2015 H.Foroutan: Updated the calculation of MOL, MOLI, HOL, and WSTAR\nC 25 Aug 2015 H. Pye: Added IEPOX, HACET surrogates\nC modified PROPNN and H2O2\nC Increased ar for ozone from 8 to 12.\nC Change meso from 0.1 to 0 for some org. nitrates\nC Changes based on Nguyen et al. 2015 PNAS and SOAS\nC 07 May 2018 D. Schwede: Added call to CZANGLE here and removed call \nC to CZANGLE in other modules\nC\nC---------Notes\nC * Updates based on literature review 7/96 JEP\nC # Diff and H based on Wesely (1988) same as RADM\nC + Estimated by JEP 2/97\nC @ Updated by JEP 9/01\nC ~ Added by YW 1/02. Dif0 based on Massman (1998). Henry's Law constant\nC is defined here as: h=cg/ca, where cg is the concentration of a species\nC in gas-phase, and ca is its aqueous-phase concentration. The smaller h,\nC the larger solubility. Henry's Law constant in another definition (KH):\nC KH = ca/pg [M/atm], KH = KH0 * exp(-DKH/R(1/T-1/T0)), where KH0 and -DKH\nC values are from Rolf Sander (1999). h=1/(KH*R*T).\nC ** Update by DBS based on estimates by JEP 1/03\nC ^^ From Bill Massman, personal communication 4/03\nC ## Diffusivity calculated by SPARC, reactivity = other aldehydes\nC ++ Dif0 in Massman is diffusivity at temperature 0C and 1 atm (101.325kPa), so\nC chemicals that were not in Massman's paper need to be adjusted. We assume\nC JEP's original values were for 25C and 1 atm.\nC % Added by G. Sarwar (10/04)\nC $ Added by R. Bullock (02/05) HG diffusivity is from Massman (1999).\nC HGIIGAS diffusivity calculated from the HG value and a mol. wt. scaling\nC factor of MW**(-2/3) from EPA/600/3-87/015. ORD, Athens, GA. HGIIGAS\nC mol.wt. used is that of HgCl2. Reactivity of HG is 1/20th of NO and NO2\nC values based on general atmospheric lifetimes of each species. Reactivity\nC of HGIIGAS is based on HNO3 surrogate.\nC @@ Mesophyll resistances for NO, NO2, and CO added by J. Pleim (07/07) based\nC on values in Pleim, Venkatram, and Yamartino, 1984: ADOM/TADAP Model\nC Development Program, Volume 4, The Dry Deposition Module. ERT, Inc.,\nC Concord, MA (peer reviewed).\nC ~~ Reactivity for PAN changed from 4.0 to 16.0 by J. Pleim (07/07) based on\nC comparisons with Turnipseed et al., JGR, 2006.\nC %% Species ICL1 and ICL2 are removed, not used in CB05. G. Sarwar (07/07)\nC <> Hazardous Air Pollutants that are believed to undergo significant dry\nC deposition. Hydrazine and triethylamine reactivities are based on analogies\nC to NH3. Maleic anhydride reactivity is assumed similar to aldehydes.\nC Toluene diisocyanate and hexamethylene diisocyanate reactivities are\nC assumed to be similar to SO2. Diffusivities are calculated with standard\nC formulas. W. Hutzell (04/08)\nC %% G. Sarwar: added data for iodine and bromine species (03/2016)\nC %% B. Hutzell: added dry deposition data for methane, acrylic acid, methyl chloride,\nC and acetonitrile (09/2016) \nC G. Sarwar: added ClNO3 and FMBR, and updated INO3 and BRNO3 name changes (07/2018)\nC G. Sarwar: removed NACL (07/2018)\nC G. Sarwar: made minor changes to halogen species and added several iodine species (12/2018)\nC D. Wong: Implemented centralized I/O approach, removed all MY_N clauses, removed\nC unnecessary SAVE attribute (02/2019)\nC G. Sarwar: Removed CH3BR (03/2021)\nC R. Gilliam: Include PX soil texture information when available (03/2022)\nC-------------------------------------------------------------------------------\n Use RUNTIME_VARS\n Use GRID_CONF ! horizontal & vertical domain specifications\n Use LSM_MOD ! Land surface data\n Use DEPVVARS, Only: ltotg\n Use CENTRALIZED_IO_MODULE\n#ifdef mpas\n use coupler_module\n#endif\n\n Implicit None\n\n Include SUBST_CONST ! constants\n\n Type :: MET_Type\n!> 2-D meteorological fields:\n Real, Allocatable :: RDEPVHT ( :,: ) ! reciprocal layer 1 height [m-1]\n Real, Allocatable :: DENS1 ( :,: ) ! layer 1 air density\n Real, Allocatable :: PRSFC ( :,: ) ! surface pressure [Pa]\n Real, Allocatable :: Q2 ( :,: ) ! 2 meter water vapor mixing ratio [kg/kg]\n Real, Allocatable :: QSS_GRND ( :,: ) ! ground saturation water vapor mixing ratio [kg/kg]\n Real, Allocatable :: RH2 ( :,: ) ! relative humidity [percent]\n Real, Allocatable :: RA ( :,: ) ! aerodynamic resistance [s/m]\n Real, Allocatable :: RS ( :,: ) ! stomatal resistance [s/m]\n Real, Allocatable :: RC ( :,: ) ! convective precipitation [cm]\n Real, Allocatable :: RN ( :,: ) ! non-convective precipitation [cm]\n Real, Allocatable :: RGRND ( :,: ) ! Solar radiation at the ground [W/m**2]\n Real, Allocatable :: HFX ( :,: ) ! Sensible heat flux [W/m**2]\n Real, Allocatable :: LH ( :,: ) ! Latent heat flux [W/m**2]\n Real, Allocatable :: SNOCOV ( :,: ) ! Snow cover [1=yes, 0=no]\n Real, Allocatable :: TEMP2 ( :,: ) ! two meter temperature [K]\n Real, Allocatable :: TEMPG ( :,: ) ! skin temperature [K]\n Real, Allocatable :: TSEASFC ( :,: ) ! SST [K]\n Real, Allocatable :: USTAR ( :,: ) ! surface friction velocity [m/s]\n Real, Allocatable :: VEG ( :,: ) ! fractional vegetation coverage [ratio]\n Real, Allocatable :: LAI ( :,: ) ! grid cell leaf area index [m**2/m**2]\n Real, Allocatable :: WR ( :,: ) ! precip intercepted by canopy [m]\n Real, Allocatable :: WSPD10 ( :,: ) ! 10-m wind speed [m/s]\n Real, Allocatable :: WSTAR ( :,: ) ! convective velocity scale [m/s]\n Real, Allocatable :: Z0 ( :,: ) ! roughness length [m]\n Real, Allocatable :: SOIM1 ( :,: ) ! 1 cm soil moisture [m**3/m**3]\n Real, Allocatable :: SOIM2 ( :,: ) ! 1 m soil moisture [m**3/m**3]\n Real, Allocatable :: CLDFRAC ( :,: ) ! Total cloud fraction including cu\n Real, Allocatable :: SOIT1 ( :,: ) ! 1 cm soil temperature [K]\n Real, Allocatable :: SOIT2 ( :,: ) ! 1 m soil temperature [K]\n Real, Allocatable :: SEAICE ( :,: ) ! Sea ice coverage [%]\n Real, Allocatable :: MOL ( :,: ) ! Monin-Obukhov length [m]\n Real, Allocatable :: MOLI ( :,: ) ! inverse of Monin-Obukhov length [m]\n Real, Allocatable :: HOL ( :,: ) ! PBL over Obukhov length\n Real, Allocatable :: XPBL ( :,: ) ! PBL sigma height\n Integer, Allocatable :: LPBL ( :,: ) ! PBL layer\n Logical, Allocatable :: CONVCT ( :,: ) ! convection flag\n Real, Allocatable :: PBL ( :,: ) ! pbl height (m)\n! Real, Allocatable :: NACL_EMIS( :,: ) ! NACL mass emission rate of particles with d <10 um (g/m2/s)\n Real, Allocatable :: COSZEN ( :,: ) ! Cosine of the zenith angle\n Real, Allocatable :: CFRAC ( :,: ) ! cloud fraction\n!> U and V wind components on the cross grid points\n Real, Allocatable :: UWIND ( :,:,: ) ! [m/s]\n Real, Allocatable :: VWIND ( :,:,: ) ! [m/s] \n!> 3-D meteorological fields:\n Real, Allocatable :: KZMIN ( :,:,: ) ! minimum Kz [m**2/s]\n Real, Allocatable :: PRES ( :,:,: ) ! pressure [Pa]\n Real, Allocatable :: QV ( :,:,: ) ! water vapor mixing ratio\n Real, Allocatable :: QC ( :,:,: ) ! cloud water mixing ratio\n Real, Allocatable :: THETAV ( :,:,: ) ! potential temp\n Real, Allocatable :: TA ( :,:,: ) ! temperature (K)\n Real, Allocatable :: RH ( :,:,: ) ! relative humidity [ratio]\n Real, Allocatable :: ZH ( :,:,: ) ! mid-layer height above ground [m]\n Real, Allocatable :: ZF ( :,:,: ) ! layer height [m]\n Real, Allocatable :: DZF ( :,:,: ) ! layer thickness\n Real, Allocatable :: DENS ( :,:,: ) ! air density\n Real, Allocatable :: RJACM ( :,:,: ) ! reciprocal mid-layer Jacobian\n Real, Allocatable :: RJACF ( :,:,: ) ! reciprocal full-layer Jacobian\n Real, Allocatable :: RRHOJ ( :,:,: ) ! reciprocal density X Jacobian\n End Type MET_Type\n \n Type :: GRID_Type\n!> Grid infomation:\n!> Vertical information\n Real, Allocatable :: DX3F ( : ) ! sigma layer surface thickness ! vdiffacmx.F\n Real, Allocatable :: RDX3F ( : ) ! reciprocal sigma layer thickness ! EMIS_DEFN.F, sedi.F, vdiffacmx.F, vdiffproc.F\n Real, Allocatable :: RDX3M ( : ) ! reciprocal sigma midlayer thickness ! vdiffproc.F\n!> Horizontal Information:\n Real, Allocatable :: RMSFX4 ( :,: ) ! inverse map scale factor ** 4\n Real, Allocatable :: LON ( :,: ) ! longitude\n Real, Allocatable :: LAT ( :,: ) ! latitude\n Real, Allocatable :: LWMASK ( :,: ) ! land water mask\n Real, Allocatable :: OCEAN ( :,: ) ! Open ocean fraction\n Real, Allocatable :: SZONE ( :,: ) ! Surf zone fraction\n Real, Allocatable :: PURB ( :,: ) ! percent urban [%]\n Integer, Allocatable :: SLTYP ( :,: ) ! soil type [category]\n Real, Allocatable :: WSAT ( :,: ) ! volumetric soil saturation concentration\n Real, Allocatable :: WWLT ( :,: ) ! soil wilting point\n Real, Allocatable :: BSLP ( :,: ) ! B Slope \n Real, Allocatable :: WRES ( :,: ) ! Soil residual moisture point\n Real, Allocatable :: WFC ( :,: ) ! soil field capacity \n Real, Allocatable :: CLAY_PX ( :,: ) ! Clay fraction from PX LSM \n Real, Allocatable :: CSAND_PX ( :,: ) ! Coarse sand fraction from PX LSM\n Real, Allocatable :: FMSAND_PX( :,: ) ! Fine-medium sand fraction from PX LSM\n! Real, Allocatable :: RHOB ( :,: ) ! soil bulk density\n Real, Allocatable :: LUFRAC ( :,:,: ) ! land use fraction (col,row,lu_type)[ratio]\nC Land use information:\n Character( 16 ), Allocatable :: NAME ( : ) ! LU name\n Character( 16 ), Allocatable :: LU_Type ( : ) ! general land use type e.g. water, forest, etc.\n End Type GRID_Type\n\n\n Type( MET_Type ) :: Met_Data \n Type( GRID_Type ) :: Grid_Data \n\n Integer, Save :: n_spc_m3dry = ltotg ! from DEPVVARS module\n!> M3 asx constants\n Real, Parameter :: a0 = 8.0 ! [dim'less]\n Real, Parameter :: d3 = 1.38564e-2 ! [dim'less]\n Real, Parameter :: dwat = 0.2178 ! [cm^2/s] at 273.15K\n Real, Parameter :: hplus_ap = 1.0e-6 ! pH=6.0 leaf apoplast solution Ph (Massad et al 2008) \n Real, Parameter :: hplus_def = 1.0e-5 ! pH=5.0\n Real, Parameter :: hplus_east = 1.0e-5 ! pH=5.0\n Real, Parameter :: hplus_h2o = 7.94328e-9 ! 10.0**(-8.1)\n Real, Parameter :: hplus_west = 3.16228e-6 ! 10.0**(-5.5)\n Real, Parameter :: kvis = 0.132 ! [cm^2 / s] at 273.15K\n Real, Parameter :: pr = 0.709 ! [dim'less]\n Real, Parameter :: rcut0 = 3000.0 ! [s/m]\n Real, Parameter :: rcw0 = 125000.0 ! acc'd'g to Padro and\n Real, Parameter :: resist_max = 1.0e30 ! maximum resistance\n Real, Parameter :: rg0 = 1000.0 ! [s/m]\n Real, Parameter :: rgwet0 = 25000.0 ! [s/m]\n Real, Parameter :: rsndiff = 10.0 ! snow diffusivity fac\n Real, Parameter :: rsnow0 = 10000.0 ! Changed from 1000 to 10000 - Helmig et al 2012\n Real, Parameter :: svp2 = 17.67 ! from MM5 and WRF\n Real, Parameter :: svp3 = 29.65 ! from MM5 and WRF\n Real, Parameter :: rt25inK = 1.0/(stdtemp + 25.0) ! 298.15K = 25C\n Real, Parameter :: twothirds = 2.0 / 3.0\n Real, Parameter :: betah = 5.0 ! WRF 3.6 px uses Dyer\n Real, Parameter :: gamah = 16.0\n Real, Parameter :: pr0 = 0.95\n Real, Parameter :: karman = 0.40\n Real, Parameter :: f3min = 0.25\n Real, Parameter :: ftmin = 0.0000001 ! m/s\n Real, Parameter :: nscat = 16.0\n Real, Parameter :: rsmax = 5000.0 ! s/m\n\n Real :: ar ( ltotg ) ! reactivity relative to HNO3\n Real :: dif0 ( ltotg ) ! molecular diffusivity [cm2/s]\n Real :: lebas ( ltotg ) ! Le Bas molar volume [cm3/mol ]\n Real :: meso ( ltotg ) ! Exception for species that \n ! react with cell walls. fo in \n ! Wesely 1989 eq 6.\n Character( 16 ) :: subname ( ltotg ) ! for subroutine HLCONST\n\n Logical, Save :: MET_INITIALIZED = .false.\n Logical, Save :: CSTAGUV ! Winds are available with C stagger?\n! Logical, Save :: ifwr = .false.\n\n Public :: INIT_MET, GET_MET\n\n Integer, Private :: C, R, L, S ! loop induction variables\n Integer, Private :: SPC\n Character( 16 ), Private, Save :: vname_rc, vname_rn, vname_uc, vname_vc\n\n Real, allocatable, private :: BUFF1D( : ) ! 1D temp var number of layers\n Real, allocatable, private :: BUFF2D( :,: ) ! 2D temp var\n Real, allocatable, private :: BUFF3D( :,:,: ) ! 3D temp var\n\n\n DATA subname( 1), dif0( 1), ar( 1), meso( 1), lebas( 1) / 'SO2 ', 0.1089, 10.0, 0.0, 35.0 /\n DATA subname( 2), dif0( 2), ar( 2), meso( 2), lebas( 2) / 'H2SO4 ', 0.1091, 8000.0, 0.0, 49.0 /\n DATA subname( 3), dif0( 3), ar( 3), meso( 3), lebas( 3) / 'NO2 ', 0.1361, 2.0, 0.1, 21.0 /\n DATA subname( 4), dif0( 4), ar( 4), meso( 4), lebas( 4) / 'NO ', 0.1802, 2.0, 0.0, 14.0 /\n DATA subname( 5), dif0( 5), ar( 5), meso( 5), lebas( 5) / 'O3 ', 0.1444, 12.0, 1.0, 21.0 /\n DATA subname( 6), dif0( 6), ar( 6), meso( 6), lebas( 6) / 'HNO3 ', 0.1067, 8000.0, 0.0, 35.0 /\n DATA subname( 7), dif0( 7), ar( 7), meso( 7), lebas( 7) / 'H2O2 ', 0.1300,34000.0, 1.0, 28.0 / !ar=34,000 such that r_cut=0.7 s/m as in Nguyen et al. 2015\n DATA subname( 8), dif0( 8), ar( 8), meso( 8), lebas( 8) / 'ACETALDEHYDE ', 0.1111, 10.0, 0.0, 56.0 /\n DATA subname( 9), dif0( 9), ar( 9), meso( 9), lebas( 9) / 'FORMALDEHYDE ', 0.1554, 10.0, 0.0, 35.0 /\n DATA subname( 10), dif0( 10), ar( 10), meso( 10), lebas( 10) / 'METHYLHYDROPEROX', 0.1179, 10.0, 0.3, 49.0 / !meso change from 0.1 to 0.3, Wolfe and Thornton 2011 ACP per J. Bash\n DATA subname( 11), dif0( 11), ar( 11), meso( 11), lebas( 11) / 'PEROXYACETIC_ACI', 0.0868, 20.0, 0.1, 70.0 /\n DATA subname( 12), dif0( 12), ar( 12), meso( 12), lebas( 12) / 'ACETIC_ACID ', 0.0944, 20.0, 0.0, 63.0 /\n DATA subname( 13), dif0( 13), ar( 13), meso( 13), lebas( 13) / 'NH3 ', 0.1978, 20.0, 0.0, 28.0 /\n DATA subname( 14), dif0( 14), ar( 14), meso( 14), lebas( 14) / 'PAN ', 0.0687, 16.0, 0.1, 91.0 /\n DATA subname( 15), dif0( 15), ar( 15), meso( 15), lebas( 15) / 'HNO2 ', 0.1349, 20.0, 0.1, 28.0 /\n DATA subname( 16), dif0( 16), ar( 16), meso( 16), lebas( 16) / 'CO ', 0.1807, 5.0, 0.0, 14.0 /\n DATA subname( 17), dif0( 17), ar( 17), meso( 17), lebas( 17) / 'METHANOL ', 0.1329, 2.0, 0.0, 42.0 /\n DATA subname( 18), dif0( 18), ar( 18), meso( 18), lebas( 18) / 'N2O5 ', 0.0808, 5000.0, 0.0, 49.0 /\n DATA subname( 19), dif0( 19), ar( 19), meso( 19), lebas( 19) / 'NO3 ', 0.1153, 5000.0, 0.0, 28.0 /\n DATA subname( 20), dif0( 20), ar( 20), meso( 20), lebas( 20) / 'GENERIC_ALDEHYDE', 0.0916, 10.0, 0.0, 56.0 /\n DATA subname( 21), dif0( 21), ar( 21), meso( 21), lebas( 21) / 'CL2 ', 0.1080, 10.0, 0.0, 49.0 /\n DATA subname( 22), dif0( 22), ar( 22), meso( 22), lebas( 22) / 'HOCL ', 0.1300, 10.0, 0.0, 38.5 / ! used value of HCL\n DATA subname( 23), dif0( 23), ar( 23), meso( 23), lebas( 23) / 'HCL ', 0.1510, 8000.0, 0.0, 31.5 /\n DATA subname( 24), dif0( 24), ar( 24), meso( 24), lebas( 24) / 'FMCL ', 0.1094, 10.0, 0.0, 45.5 / ! default value\n DATA subname( 25), dif0( 25), ar( 25), meso( 25), lebas( 25) / 'HG ', 0.1194, 0.1, 0.0, 14.8 / ! lebas not used\n DATA subname( 26), dif0( 26), ar( 26), meso( 26), lebas( 26) / 'HGIIGAS ', 0.0976, 8000.0, 0.0, 95.0 / ! estimation from back calculating to get dw25 = 1.04e-5 (Garland et al, 1965)\n DATA subname( 27), dif0( 27), ar( 27), meso( 27), lebas( 27) / 'TECDD_2378 ', 0.0525, 2.0, 0.0, 217.0 /\n DATA subname( 28), dif0( 28), ar( 28), meso( 28), lebas( 28) / 'PECDD_12378 ', 0.0508, 2.0, 0.0, 234.5 /\n DATA subname( 29), dif0( 29), ar( 29), meso( 29), lebas( 29) / 'HXCDD_123478 ', 0.0494, 2.0, 0.0, 252.0 /\n DATA subname( 30), dif0( 30), ar( 30), meso( 30), lebas( 30) / 'HXCDD_123678 ', 0.0494, 2.0, 0.0, 252.0 /\n DATA subname( 31), dif0( 31), ar( 31), meso( 31), lebas( 31) / 'HXCDD_123478 ', 0.0494, 2.0, 0.0, 252.0 /\n DATA subname( 32), dif0( 32), ar( 32), meso( 32), lebas( 32) / 'HPCDD_1234678 ', 0.0480, 2.0, 0.0, 269.5 /\n DATA subname( 33), dif0( 33), ar( 33), meso( 33), lebas( 33) / 'OTCDD ', 0.0474, 2.0, 0.0, 287.0 /\n DATA subname( 34), dif0( 34), ar( 34), meso( 34), lebas( 34) / 'TECDF_2378 ', 0.0534, 2.0, 0.0, 210.0 /\n DATA subname( 35), dif0( 35), ar( 35), meso( 35), lebas( 35) / 'PECDF_12378 ', 0.0517, 2.0, 0.0, 227.5 /\n DATA subname( 36), dif0( 36), ar( 36), meso( 36), lebas( 36) / 'PECDF_23478 ', 0.0517, 2.0, 0.0, 227.5 /\n DATA subname( 37), dif0( 37), ar( 37), meso( 37), lebas( 37) / 'HXCDF_123478 ', 0.0512, 2.0, 0.0, 245.0 /\n DATA subname( 38), dif0( 38), ar( 38), meso( 38), lebas( 38) / 'HXCDF_123678 ', 0.0512, 2.0, 0.0, 245.0 /\n DATA subname( 39), dif0( 39), ar( 39), meso( 39), lebas( 39) / 'HXCDF_234678 ', 0.0512, 2.0, 0.0, 245.0 /\n DATA subname( 40), dif0( 40), ar( 40), meso( 40), lebas( 40) / 'HXCDF_123789 ', 0.0512, 2.0, 0.0, 245.0 /\n DATA subname( 41), dif0( 41), ar( 41), meso( 41), lebas( 41) / 'HPCDF_1234678 ', 0.0487, 2.0, 0.0, 262.5 /\n DATA subname( 42), dif0( 42), ar( 42), meso( 42), lebas( 42) / 'HPCDF_1234789 ', 0.0487, 2.0, 0.0, 262.5 /\n DATA subname( 43), dif0( 43), ar( 43), meso( 43), lebas( 43) / 'OTCDF ', 0.0474, 2.0, 0.0, 280.0 /\n DATA subname( 44), dif0( 44), ar( 44), meso( 44), lebas( 44) / 'NAPHTHALENE ', 0.0778, 4.0, 0.0, 119.0 / !Julin et al. 2014 doi:10.1021/es501816h \n DATA subname( 45), dif0( 45), ar( 45), meso( 45), lebas( 45) / '1NITRONAPHTHALEN', 0.0692, 4.0, 0.0, 133.0 /\n DATA subname( 46), dif0( 46), ar( 46), meso( 46), lebas( 46) / '2NITRONAPHTHALEN', 0.0692, 4.0, 0.0, 133.0 /\n DATA subname( 47), dif0( 47), ar( 47), meso( 47), lebas( 47) / '14NAPHTHOQUINONE', 0.0780, 4.0, 0.0, 119.0 /\n DATA subname( 48), dif0( 48), ar( 48), meso( 48), lebas( 48) / 'HEXAMETHYLE_DIIS', 0.0380, 10.0, 0.0, 196.0 /\n DATA subname( 49), dif0( 49), ar( 49), meso( 49), lebas( 49) / 'HYDRAZINE ', 0.4164, 20.0, 0.0, 42.0 /\n DATA subname( 50), dif0( 50), ar( 50), meso( 50), lebas( 50) / 'MALEIC_ANHYDRIDE', 0.0950, 10.0, 0.0, 70.0 /\n DATA subname( 51), dif0( 51), ar( 51), meso( 51), lebas( 51) / '24-TOLUENE_DIIS ', 0.0610, 10.0, 0.0, 154.0 /\n DATA subname( 52), dif0( 52), ar( 52), meso( 52), lebas( 52) / 'TRIETHYLAMINE ', 0.0881, 20.0, 0.0, 154.0 /\n DATA subname( 53), dif0( 53), ar( 53), meso( 53), lebas( 53) / 'ORG_NTR ', 0.0607, 16.0, 0.0, 160.0 / ! assumes 58.2% C5H11O4N and 41.8% C5H11O3N\n DATA subname( 54), dif0( 54), ar( 54), meso( 54), lebas( 54) / 'HYDROXY_NITRATES', 0.0609, 16.0, 0.0, 156.1 /\n DATA subname( 55), dif0( 55), ar( 55), meso( 55), lebas( 55) / 'MPAN ', 0.0580, 16.0, 0.1, 133.0 /\n DATA subname( 56), dif0( 56), ar( 56), meso( 56), lebas( 56) / 'PPN ', 0.0631, 16.0, 0.1, 118.2 /\n DATA subname( 57), dif0( 57), ar( 57), meso( 57), lebas( 57) / 'METHACROLEIN ', 0.0810, 8.0, 1.0, 88.8 /\n DATA subname( 58), dif0( 58), ar( 58), meso( 58), lebas( 58) / 'DINTR ', 0.0617, 16.0, 0.1, 169.8 /\n DATA subname( 59), dif0( 59), ar( 59), meso( 59), lebas( 59) / 'NTR_ALK ', 0.0688, 16.0, 0.1, 133.0 /\n DATA subname( 60), dif0( 60), ar( 60), meso( 60), lebas( 60) / 'NTR_OH ', 0.0665, 16.0, 0.1, 140.4 /\n DATA subname( 61), dif0( 61), ar( 61), meso( 61), lebas( 61) / 'HYDROXY_NITRATES', 0.0646, 16.0, 0.0, 147.8 /\n DATA subname( 62), dif0( 62), ar( 62), meso( 62), lebas( 62) / 'PROPNN ', 0.0677, 16.0, 0.0, 133.0 /\n DATA subname( 63), dif0( 63), ar( 63), meso( 63), lebas( 63) / 'NITRYL_CHLORIDE ', 0.0888, 8.0, 0.0, 45.5 / ! dif0 estimated following Erickson III et al., JGR, 104, D7, 8347-8372, 1999\n DATA subname( 64), dif0( 64), ar( 64), meso( 64), lebas( 64) / 'ISOPNN ',0.0457, 275.9, 0.0, 206.8 /\n DATA subname( 65), dif0( 65), ar( 65), meso( 65), lebas( 65) / 'MTNO3 ',0.0453, 96.2, 0.0, 251.2 /\n DATA subname( 66), dif0( 66), ar( 66), meso( 66), lebas( 66) / 'IEPOX ',0.0579, 8.0, 0.0, 110.8 /\n DATA subname( 67), dif0( 67), ar( 67), meso( 67), lebas( 67) / 'HACET ',0.1060, 8.0, 0.0, 72.6 / ! dif0 from Nguyen 2015 PNAS\n DATA subname( 68), dif0( 68), ar( 68), meso( 68), lebas( 68) / 'SVALK1 ',0.0514, 4572.8, 0.0, 280.5 / ! Pye et al. doi:10.5194/acp-17-343-2017; rel. reactivity per J. Bash\n DATA subname( 69), dif0( 69), ar( 69), meso( 69), lebas( 69) / 'SVALK2 ',0.0546, 12.9, 0.0, 275.6 /\n DATA subname( 70), dif0( 70), ar( 70), meso( 70), lebas( 70) / 'SVBNZ1 ',0.0642,20671.2, 0.0, 134.1 /\n DATA subname( 71), dif0( 71), ar( 71), meso( 71), lebas( 71) / 'SVBNZ2 ',0.0726, 52.5, 0.0, 127.5 /\n DATA subname( 72), dif0( 72), ar( 72), meso( 72), lebas( 72) / 'SVISO1 ',0.0733, 50.6, 0.0, 126.3 /\n DATA subname( 73), dif0( 73), ar( 73), meso( 73), lebas( 73) / 'SVISO2 ',0.0729,10009.0, 0.0, 123.8 /\n DATA subname( 74), dif0( 74), ar( 74), meso( 74), lebas( 74) / 'SVPAH1 ',0.0564, 772.1, 0.0, 235.7 /\n DATA subname( 75), dif0( 75), ar( 75), meso( 75), lebas( 75) / 'SVPAH2 ',0.0599, 4.8, 0.0, 231.5 /\n DATA subname( 76), dif0( 76), ar( 76), meso( 76), lebas( 76) / 'SVSQT ',0.0451, 10.3, 0.0, 346.5 /\n DATA subname( 77), dif0( 77), ar( 77), meso( 77), lebas( 77) / 'SVTOL1 ',0.0637, 1928.3, 0.0, 153.7 /\n DATA subname( 78), dif0( 78), ar( 78), meso( 78), lebas( 78) / 'SVTOL2 ',0.0607, 111.6, 0.0, 194.1 /\n DATA subname( 79), dif0( 79), ar( 79), meso( 79), lebas( 79) / 'SVTRP1 ',0.0603, 160.1, 0.0, 194.9 /\n DATA subname( 80), dif0( 80), ar( 80), meso( 80), lebas( 80) / 'SVTRP2 ',0.0559, 13.0, 0.0, 218.8 /\n DATA subname( 81), dif0( 81), ar( 81), meso( 81), lebas( 81) / 'SVXYL1 ',0.0610, 3586.7, 0.0, 154.6 /\n DATA subname( 82), dif0( 82), ar( 82), meso( 82), lebas( 82) / 'SVXYL2 ',0.0585, 72.2, 0.0, 194.6 /\n DATA subname( 83), dif0( 83), ar( 83), meso( 83), lebas( 83) / 'IO ',0.1004, 8.0, 0.0, 45.5 /\n DATA subname( 84), dif0( 84), ar( 84), meso( 84), lebas( 84) / 'OIO ',0.0940, 8.0, 0.0, 52.5 /\n DATA subname( 85), dif0( 85), ar( 85), meso( 85), lebas( 85) / 'I2O2 ',0.0734, 8.0, 0.0, 91.0 /\n DATA subname( 86), dif0( 86), ar( 86), meso( 86), lebas( 86) / 'I2O3 ',0.0709, 8.0, 0.0, 98.0 /\n DATA subname( 87), dif0( 87), ar( 87), meso( 87), lebas( 87) / 'I2O4 ',0.0686, 8.0, 0.0, 105.0 /\n DATA subname( 88), dif0( 88), ar( 88), meso( 88), lebas( 88) / 'HI ',0.1047, 8.0, 0.0, 45.5 /\n DATA subname( 89), dif0( 89), ar( 89), meso( 89), lebas( 89) / 'HOI ',0.0974, 8.0, 0.0, 52.5 /\n DATA subname( 90), dif0( 90), ar( 90), meso( 90), lebas( 90) / 'INO ',0.0885, 8.0, 0.0, 52.5 /\n DATA subname( 91), dif0( 91), ar( 91), meso( 91), lebas( 91) / 'INO2 ',0.0835, 20.0, 0.0, 59.5 /\n DATA subname( 92), dif0( 92), ar( 92), meso( 92), lebas( 92) / 'INO3 ',0.0794, 8.0, 0.0, 66.5 /\n DATA subname( 93), dif0( 93), ar( 93), meso( 93), lebas( 93) / 'BRO ',0.1146, 1.0, 0.0, 38.5 /\n DATA subname( 94), dif0( 94), ar( 94), meso( 94), lebas( 94) / 'HOBR ',0.1104, 1.0, 0.0, 45.5 /\n DATA subname( 95), dif0( 95), ar( 95), meso( 95), lebas( 95) / 'HBR ',0.1219, 2.0, 0.0, 38.5 /\n DATA subname( 96), dif0( 96), ar( 96), meso( 96), lebas( 96) / 'BRNO3 ',0.0871, 1.0, 0.0, 59.5 /\n DATA subname( 97), dif0( 97), ar( 97), meso( 97), lebas( 97) / 'BRNO2 ',0.0922, 1.0, 0.0, 52.5 /\n DATA subname( 98), dif0( 98), ar( 98), meso( 98), lebas( 98) / 'BRCL ',0.0968, 1.0, 0.0, 56.0 /\n DATA subname( 99), dif0( 99), ar( 99), meso( 99), lebas( 99) / 'DMS ',0.0896, 2.0, 0.0, 77.0 /\n DATA subname(100), dif0(100), ar(100), meso(100), lebas(100) / 'MSA ',0.0844, 2.0, 0.0, 77.0 /\n DATA subname(101), dif0(101), ar(101), meso(101), lebas(101) / 'METHANE ',0.2107, 2.0, 0.0, 29.6 / ! dif0, eqn 9-22 Schwarzenbach Gschwend & Imboden (1993) Env Org Chem\n DATA subname(102), dif0(102), ar(102), meso(102), lebas(102) / 'ACRYACID ',0.0908, 2.0, 0.0, 63.2 / \n DATA subname(103), dif0(103), ar(103), meso(103), lebas(103) / 'CARBSULFIDE ',0.1240, 5.0, 0.0, 51.5 / \n DATA subname(104), dif0(104), ar(104), meso(104), lebas(104) / 'ACETONITRILE ',0.1280, 5.0, 0.0, 52.3 / \n DATA subname(105), dif0(105), ar(105), meso(105), lebas(105) / '6_NITRO_O_CRESOL',0.0664, 16.0, 0.0, 155.0 / ! dif0, eqn 9-22 Schwarzenbach Gschwend & Imboden (1993) Env Org Chem\n DATA subname(106), dif0(106), ar(106), meso(106), lebas(106) / 'GENERIC_ALDEHYDE',0.0646, 10.0, 0.0, 56.0 / ! PCVOC\n DATA subname(107), dif0(107), ar(107), meso(107), lebas(107) / 'NTR_OH ',0.0722, 16.0, 0.1, 140.4 / ! INTR\n DATA subname(108), dif0(108), ar(108), meso(108), lebas(108) / 'METHYLHYDROPEROX',0.0853, 10.0, 0.3, 49.0 / ! ISPX diffusion should be ~ 0.0710 according to Wolfe and thornton 2011 ACP\n DATA subname(109), dif0(109), ar(109), meso(109), lebas(109) / 'METHYLHYDROPEROX',0.1371, 10.0, 0.3, 49.0 / ! ROOH diffusion should be ~ 0.0710 according to Wolfe and thornton 2011 ACP\n DATA subname(110), dif0(110), ar(110), meso(110), lebas(110) / 'ADIPIC_ACID ',0.0646,90000.0, 0.0, 63.0 / ! LVPCSOG\n DATA subname(111), dif0(111), ar(111), meso(111), lebas(111) / 'ADIPIC_ACID ',0.0456, 4.2, 0.0, 63.0 / ! VIVPO1\n DATA subname(112), dif0(112), ar(112), meso(112), lebas(112) / 'ADIPIC_ACID ',0.0766,71624.8, 0.0, 63.0 / ! VLVOO1\n DATA subname(113), dif0(113), ar(113), meso(113), lebas(113) / 'ADIPIC_ACID ',0.0766, 9042.0, 0.0, 63.0 / ! VLVOO2\n DATA subname(114), dif0(114), ar(114), meso(114), lebas(114) / 'ADIPIC_ACID ',0.0533,13818.0, 0.0, 63.0 / ! VLVPO1\n DATA subname(115), dif0(115), ar(115), meso(115), lebas(115) / 'ADIPIC_ACID ',0.0771, 1133.9, 0.0, 63.0 / ! VSVOO1\n DATA subname(116), dif0(116), ar(116), meso(116), lebas(116) / 'ADIPIC_ACID ',0.0771, 18.1, 0.0, 63.0 / ! VSVOO2\n DATA subname(117), dif0(117), ar(117), meso(117), lebas(117) / 'ADIPIC_ACID ',0.0775, 2.3, 0.0, 63.0 / ! VSVOO3\n DATA subname(118), dif0(118), ar(118), meso(118), lebas(118) / 'ADIPIC_ACID ',0.0511, 1830.5, 0.0, 63.0 / ! VSVPO1\n DATA subname(119), dif0(119), ar(119), meso(119), lebas(119) / 'ADIPIC_ACID ',0.0493, 241.0, 0.0, 63.0 / ! VSVPO2\n DATA subname(120), dif0(120), ar(120), meso(120), lebas(120) / 'ADIPIC_ACID ',0.0474, 31.8, 0.0, 63.0 / ! VSVPO3\n DATA subname(121), dif0(121), ar(121), meso(121), lebas(121) / 'FORMIC_ACID ',0.1411, 20.0, 0.0, 63.0 / ! FACD\n DATA subname(122), dif0(122), ar(122), meso(122), lebas(122) / 'MEK ',0.0859, 1.0, 0.0, 108.2 / ! KET different in different mechanisms\n DATA subname(123), dif0(123), ar(123), meso(123), lebas(123) / 'ETHENE ',0.1366, 1.0, 0.0, 58.1 / ! ETH\n DATA subname(124), dif0(124), ar(124), meso(124), lebas(124) / 'HNO4 ',0.1233, 1.0, 0.0, 45.2 / ! PNA\n DATA subname(125), dif0(125), ar(125), meso(125), lebas(125) / 'GLYOXAL ',0.1188, 1.0, 0.0, 56.2 / ! GLY\n DATA subname(126), dif0(126), ar(126), meso(126), lebas(126) / 'GLYOXAL ',0.1181, 1.0, 0.0, 56.4 / ! GLYD\n DATA subname(127), dif0(127), ar(127), meso(127), lebas(127) / 'METHYL_GLYOXAL ',0.1038, 1.0, 0.0, 72.5 / ! MGLY\n DATA subname(128), dif0(128), ar(128), meso(128), lebas(128) / 'ETHANE ',0.1312, 1.0, 0.0, 61.5 / ! ETHA\n DATA subname(129), dif0(129), ar(129), meso(129), lebas(129) / 'ETHANOL ',0.1213, 1.0, 0.0, 59.1 / ! ETOH\n DATA subname(130), dif0(130), ar(130), meso(130), lebas(130) / 'ETHANE ',0.0870, 1.0, 0.0, 111.1 / ! PAR as Pentane\n DATA subname(131), dif0(131), ar(131), meso(131), lebas(131) / 'ACETONE ',0.1057, 1.0, 0.0, 75.2 / ! ACET\n DATA subname(132), dif0(132), ar(132), meso(132), lebas(132) / 'PROPANE ',0.1095, 1.0, 0.0, 78.1 / ! PRPA\n DATA subname(133), dif0(133), ar(133), meso(133), lebas(133) / 'ACETYLENE ',0.1523, 1.0, 0.0, 45.8 / ! ETHY\n DATA subname(134), dif0(134), ar(134), meso(134), lebas(134) / 'ETHENE ',0.1135, 1.0, 0.0, 73.1 / ! OLE as Propene\n DATA subname(135), dif0(135), ar(135), meso(135), lebas(135) / 'ETHENE ',0.0990, 1.0, 0.0, 89.5 / ! IOLE as Isobutene\n DATA subname(136), dif0(136), ar(136), meso(136), lebas(136) / 'MEK ',0.0852, 1.0, 0.0, 101.2 / ! IEPOX different scavenging H in CB05 and CB06\n DATA subname(137), dif0(137), ar(137), meso(137), lebas(137) / 'BENZENE ',0.0942, 1.0, 0.0, 89.4 / ! BENZENE\n DATA subname(138), dif0(138), ar(138), meso(138), lebas(138) / '2-CRESOL ',0.0850, 1.0, 0.0, 108.1 / ! CRES\n DATA subname(139), dif0(139), ar(139), meso(139), lebas(139) / 'TOLUENE ',0.0860, 1.0, 0.0, 105.7 / ! TOL\n DATA subname(140), dif0(140), ar(140), meso(140), lebas(140) / 'O-XYLENE ',0.0796, 1.0, 0.0, 122.0 / ! XYLMN\n DATA subname(141), dif0(141), ar(141), meso(141), lebas(141) / 'O-XYLENE ',0.0777, 1.0, 0.0, 123.5 / ! NAPH\n DATA subname(142), dif0(142), ar(142), meso(142), lebas(142) / 'PHENOL ',0.0844, 1.0, 0.0, 102.6 / ! CAT1\n DATA subname(143), dif0(143), ar(143), meso(143), lebas(143) / 'PINENE ',0.0545, 1.0, 0.0, 251.5 / ! SESQ\n DATA subname(144), dif0(144), ar(144), meso(144), lebas(144) / 'PINENE ',0.0700, 1.0, 0.0, 136.2 / ! TERP\n DATA subname(145), dif0(145), ar(145), meso(145), lebas(145) / 'ISOPRENE ',0.0913, 1.0, 0.0, 136.2 / ! ISOP\n DATA subname(146), dif0(146), ar(146), meso(146), lebas(146) / 'METHACROLEIN ',0.1033, 1.0, 0.0, 69.6 / ! OPEN C4H4O2\n DATA subname(147), dif0(147), ar(147), meso(147), lebas(147) / 'MEK ',0.0950, 1.0, 0.0, 81.7 / ! XOPN C5H6O2\n DATA subname(148), dif0(148), ar(148), meso(148), lebas(148) / 'DECANE ',0.0739, 1.0, 0.0, 142.8 / ! SOAALK as Propylcyclopentane\n DATA subname(149), dif0(149), ar(149), meso(149), lebas(149) / '13-BUTADIENE ',0.1019, 1.0, 0.0, 84.8 / ! BUTADIENE13\n DATA subname(150), dif0(150), ar(150), meso(150), lebas(150) / 'ACROLEIN ',0.1092, 1.0, 0.0, 70.5 /\n DATA subname(151), dif0(151), ar(151), meso(151), lebas(151) / 'SVMT1 ',0.0424, 20.0, 0.0, 355.2/ ! see Xu et al., 2018 ACPD: doi:10.5194/acp-2017-1109\n DATA subname(152), dif0(152), ar(152), meso(152), lebas(152) / 'SVMT2 ',0.0556, 20.0, 0.0, 236.8/\n DATA subname(153), dif0(153), ar(153), meso(153), lebas(153) / 'SVMT3 ',0.0583, 20.0, 0.0, 214.6/\n DATA subname(154), dif0(154), ar(154), meso(154), lebas(154) / 'SVMT4 ',0.0587, 20.0, 0.0, 229.4/\n DATA subname(155), dif0(155), ar(155), meso(155), lebas(155) / 'SVMT5 ',0.0619, 20.0, 0.0, 207.2/\n DATA subname(156), dif0(156), ar(156), meso(156), lebas(156) / 'SVMT6 ',0.0624, 20.0, 0.0, 222.0/\n DATA subname(157), dif0(157), ar(157), meso(157), lebas(157) / 'SVMT7 ',0.0661, 20.0, 0.0, 199.8/\n DATA subname(158), dif0(158), ar(158), meso(158), lebas(158) / 'SVAVB1 ',0.0560,100388.0, 0.0, 163.1/\n DATA subname(159), dif0(159), ar(159), meso(159), lebas(159) / 'SVAVB2 ',0.0600, 1461.2, 0.0, 163.2/\n DATA subname(160), dif0(160), ar(160), meso(160), lebas(160) / 'SVAVB3 ',0.0620, 175.2, 0.0, 163.0/\n DATA subname(161), dif0(161), ar(161), meso(161), lebas(161) / 'SVAVB4 ',0.0650, 20.8, 0.0, 162.7/\n DATA subname(162), dif0(162), ar(162), meso(162), lebas(162) / 'CLNO3 ',0.0902, 8.0, 0.0, 52.5/\n DATA subname(163), dif0(163), ar(163), meso(163), lebas(163) / 'FMBR ',0.0965, 10.0, 0.0, 52.5/\n DATA subname(164), dif0(164), ar(164), meso(164), lebas(164) / 'I2 ',0.0795, 4.0, 0.0, 77.0/\n DATA subname(165), dif0(165), ar(165), meso(165), lebas(165) / 'CH3I ',0.0881, 2.0, 0.0, 66.5/\n DATA subname(166), dif0(166), ar(166), meso(166), lebas(166) / 'ICL ',0.0878, 4.0, 0.0, 63.0/\n DATA subname(167), dif0(167), ar(167), meso(167), lebas(167) / 'IBR ',0.0851, 4.0, 0.0, 70.0/\n DATA subname(168), dif0(168), ar(168), meso(168), lebas(168) / 'MI2 ',0.0713, 2.0, 0.0, 98.0/\n DATA subname(169), dif0(169), ar(169), meso(169), lebas(169) / 'MIB ',0.0753, 2.0, 0.0, 91.0/\n DATA subname(170), dif0(170), ar(170), meso(170), lebas(170) / 'MIC ',0.0773, 2.0, 0.0, 84.0/\n DATA subname(171), dif0(171), ar(171), meso(171), lebas(171) / 'BR2 ',0.0925, 2.0, 0.0, 63.0/\n DATA subname(172), dif0(172), ar(172), meso(172), lebas(172) / 'MB3 ',0.0705, 2.0, 0.0, 108.5/\n DATA subname(173), dif0(173), ar(173), meso(173), lebas(173) / 'MB2 ',0.0804, 2.0, 0.0, 84.0/\n DATA subname(174), dif0(174), ar(174), meso(174), lebas(174) / 'MB2C ',0.0720, 2.0, 0.0, 101.5/\n DATA subname(175), dif0(175), ar(175), meso(175), lebas(175) / 'MBC2 ',0.0739, 2.0, 0.0, 94.5/\n DATA subname(176), dif0(176), ar(176), meso(176), lebas(176) / 'MBC ',0.0834, 2.0, 0.0, 77.0/\n DATA subname(177), dif0(177), ar(177), meso(177), lebas(177) / 'CLO ',0.1288, 8.0, 0.0, 31.5/\n DATA subname(178), dif0(178), ar(178), meso(178), lebas(178) / 'ACETALDEHYDE ',0.0975, 1.0, 0.0, 58.9/ \n DATA subname(179), dif0(179), ar(179), meso(179), lebas(179) / 'ACETYLENE ',0.1212, 1.0, 0.0, 45.8/ \n DATA subname(180), dif0(180), ar(180), meso(180), lebas(180) / 'ACROOPERA ',0.0869, 1.0, 0.0, 70.5/ \n DATA subname(181), dif0(181), ar(181), meso(181), lebas(181) / 'ACETONE ',0.0842, 1.0, 0.0, 75.2/ \n DATA subname(182), dif0(182), ar(182), meso(182), lebas(182) / 'APIOPERA ',0.0560, 1.0, 0.0, 154.9/ \n DATA subname(183), dif0(183), ar(183), meso(183), lebas(183) / 'BENZALDEHYDE ',0.0688, 1.0, 0.0, 101.1/ \n DATA subname(184), dif0(184), ar(184), meso(184), lebas(184) / 'BDE13OPERA ',0.0812, 1.0, 0.0, 84.8/ \n DATA subname(185), dif0(185), ar(185), meso(185), lebas(185) / 'BENOPERA ',0.0751, 1.0, 0.0, 89.4/ \n DATA subname(186), dif0(186), ar(186), meso(186), lebas(186) / 'CSLOPERA ',0.0590, 1.0, 0.0, 137.1/ \n DATA subname(187), dif0(187), ar(187), meso(187), lebas(187) / 'METHACROLEIN ',0.0696, 1.0, 0.0, 100.6/ \n DATA subname(188), dif0(188), ar(188), meso(188), lebas(188) / 'METHACROLEIN ',0.0647, 1.0, 0.0, 115.4/ \n DATA subname(189), dif0(189), ar(189), meso(189), lebas(189) / 'METHACROLEIN ',0.0768, 1.0, 0.0, 82.8/ \n DATA subname(190), dif0(190), ar(190), meso(190), lebas(190) / 'ETHANOL ',0.0965, 1.0, 0.0, 59.1/ \n DATA subname(191), dif0(191), ar(191), meso(191), lebas(191) / 'ETHENE ',0.1085, 1.0, 0.0, 58.1/ \n DATA subname(192), dif0(192), ar(192), meso(192), lebas(192) / 'ETHYLENEGLYCOL ',0.0931, 1.0, 0.0, 56.6/\n DATA subname(193), dif0(193), ar(193), meso(193), lebas(193) / 'FURANOPERA ',0.0751, 1.0, 0.0, 83.9/ \n DATA subname(194), dif0(194), ar(194), meso(194), lebas(194) / 'FURANONEOPERA ',0.0820, 1.0, 0.0, 66.5/ \n DATA subname(195), dif0(195), ar(195), meso(195), lebas(195) / 'HC10OPERA ',0.0505, 1.0, 0.0, 194.0/ \n DATA subname(196), dif0(196), ar(196), meso(196), lebas(196) / 'HC3OPERA ',0.0872, 1.0, 0.0, 78.1/ \n DATA subname(197), dif0(197), ar(197), meso(197), lebas(197) / 'HC5OPERA ',0.0694, 1.0, 0.0, 111.0/ \n DATA subname(198), dif0(198), ar(198), meso(198), lebas(198) / 'HYDROXY-ACETONE ',0.0823, 1.0, 0.0, 72.7/\n DATA subname(199), dif0(199), ar(199), meso(199), lebas(199) / 'METHACROLEIN ',0.0663, 1.0, 0.3, 107.6/ \n DATA subname(200), dif0(200), ar(200), meso(200), lebas(200) / 'ISOOPERA ',0.0728, 1.0, 0.0, 101.0/ \n DATA subname(201), dif0(201), ar(201), meso(201), lebas(201) / '2NITRO_1BUTNL ',0.0609, 1.0, 0.1, 125.4/ \n DATA subname(202), dif0(202), ar(202), meso(202), lebas(202) / 'LIMOPERA ',0.0547, 1.0, 0.0, 163.0/ \n DATA subname(203), dif0(203), ar(203), meso(203), lebas(203) / 'UALDOPERA ',0.0511, 1.0, 0.0, 183.3/ \n DATA subname(204), dif0(204), ar(204), meso(204), lebas(204) / 'METHACROLEIN ',0.0772, 1.0, 0.0, 86.8/ \n DATA subname(205), dif0(205), ar(205), meso(205), lebas(205) / 'METHACROLEIN ',0.0745, 1.0, 0.3, 84.1/ \n DATA subname(206), dif0(206), ar(206), meso(206), lebas(206) / 'MCTOPERA ',0.0672, 1.7, 0.0, 103.0/ \n DATA subname(207), dif0(207), ar(207), meso(207), lebas(207) / 'MEK ',0.0752, 1.0, 0.0, 91.7/ \n DATA subname(208), dif0(208), ar(208), meso(208), lebas(208) / 'METHANOL ',0.1182, 1.0, 0.0, 42.5/ \n DATA subname(209), dif0(209), ar(209), meso(209), lebas(209) / 'MVK ',0.0772, 1.0, 0.0, 86.8/ \n DATA subname(210), dif0(210), ar(210), meso(210), lebas(210) / '2NITRO_1BUTNL ',0.0766, 1.0, 0.1, 78.0/ \n DATA subname(211), dif0(211), ar(211), meso(211), lebas(211) / 'OLIOPERA ',0.0717, 1.0, 0.0, 104.0/ \n DATA subname(212), dif0(212), ar(212), meso(212), lebas(212) / 'OLTOPERA ',0.0904, 1.0, 0.0, 73.1/ \n DATA subname(213), dif0(213), ar(213), meso(213), lebas(213) / 'MPAN ',0.0647, 1.0, 0.1, 114.0/ \n DATA subname(214), dif0(214), ar(214), meso(214), lebas(214) / 'METHYLHYDROPEROX',0.1030, 1.0, 0.3, 48.9/ \n DATA subname(215), dif0(215), ar(215), meso(215), lebas(215) / 'METHYLHYDROPEROX',0.0881, 1.0, 0.3, 65.4/ \n DATA subname(216), dif0(216), ar(216), meso(216), lebas(216) / 'METHYLHYDROPEROX',0.0535, 1.0, 0.3, 162.4/ \n DATA subname(217), dif0(217), ar(217), meso(217), lebas(217) / 'ORA1OPERA ',0.1119, 1.0, 0.0, 39.9/ \n DATA subname(218), dif0(218), ar(218), meso(218), lebas(218) / 'ORA2OPERA ',0.0939, 1.0, 0.0, 56.2/ \n DATA subname(219), dif0(219), ar(219), meso(219), lebas(219) / 'PHENOPERA ',0.0731, 3.4, 0.0, 86.3/ \n DATA subname(220), dif0(220), ar(220), meso(220), lebas(220) / 'GENERIC_ALDEHYDE',0.0521, 1.0, 0.0, 175.5/\n DATA subname(221), dif0(221), ar(221), meso(221), lebas(221) / 'PROGOPERA ',0.0816, 1.0, 0.0, 73.4/ \n DATA subname(222), dif0(222), ar(222), meso(222), lebas(222) / 'ROCIOXYOPERA ',0.0354, 1.0, 0.0, 384.0/ \n DATA subname(223), dif0(223), ar(223), meso(223), lebas(223) / 'ADIPIC_ACID ',0.0382, 1.0, 0.0, 326.0/ \n DATA subname(224), dif0(224), ar(224), meso(224), lebas(224) / 'ADIPIC_ACID ',0.0528, 1.0, 0.0, 172.0/ \n DATA subname(225), dif0(225), ar(225), meso(225), lebas(225) / 'ADIPIC_ACID ',0.0431, 1.0, 0.0, 260.0/ \n DATA subname(226), dif0(226), ar(226), meso(226), lebas(226) / 'ADIPIC_ACID ',0.0465, 1.0, 0.0, 221.0/ \n DATA subname(227), dif0(227), ar(227), meso(227), lebas(227) / 'ADIPIC_ACID ',0.0483, 1.0, 0.0, 207.0/ \n DATA subname(228), dif0(228), ar(228), meso(228), lebas(228) / 'ADIPIC_ACID ',0.0447, 1.0, 0.0, 243.0/ \n DATA subname(229), dif0(229), ar(229), meso(229), lebas(229) / 'ADIPIC_ACID ',0.0484, 1.0, 0.0, 205.0/ \n DATA subname(230), dif0(230), ar(230), meso(230), lebas(230) / 'ADIPIC_ACID ',0.0530, 1.0, 0.0, 174.0/ \n DATA subname(231), dif0(231), ar(231), meso(231), lebas(231) / 'N-PROPANOL ',0.0836, 1.0, 0.0, 75.6/ \n DATA subname(232), dif0(232), ar(232), meso(232), lebas(232) / 'SLOWROCOPERA ',0.1041, 1.0, 0.1, 38.9/ \n DATA subname(233), dif0(233), ar(233), meso(233), lebas(233) / '2NITRO_1BUTNL ',0.0597, 18.6, 0.1, 123.5/ \n DATA subname(234), dif0(234), ar(234), meso(234), lebas(234) / 'UALDOPERA ',0.0704, 1.0, 0.0, 102.0/ \n DATA subname(235), dif0(235), ar(235), meso(235), lebas(235) / 'XYEOPERA ',0.0636, 1.0, 0.0, 122.0/ \n DATA subname(236), dif0(236), ar(236), meso(236), lebas(236) / 'XYMOPERA ',0.0636, 1.0, 0.0, 122.0/ \n DATA subname(237), dif0(237), ar(237), meso(237), lebas(237) / 'ELHOLM ',0.0464,49000.0, 0.3, 237.0/ \n DATA subname(238), dif0(238), ar(238), meso(238), lebas(238) / 'HOLM ',0.0534, 711.0, 0.3, 157.7/ \n DATA subname(239), dif0(239), ar(239), meso(239), lebas(239) / 'METHYLHYDROPEROX',0.0551, 783.0, 0.3, 153.1/ \n DATA subname(240), dif0(240), ar(240), meso(240), lebas(240) / 'ADIPIC_ACID ',0.0303, 218.0, 0.0, 508.0/ \n DATA subname(241), dif0(241), ar(241), meso(241), lebas(241) / 'ADIPIC_ACID ',0.0365, 8450.0, 0.0, 353.0/ \n DATA subname(242), dif0(242), ar(242), meso(242), lebas(242) / 'ADIPIC_ACID ',0.0465, 2550.0, 0.0, 216.0/ \n DATA subname(243), dif0(243), ar(243), meso(243), lebas(243) / 'ADIPIC_ACID ',0.0557, 182.0, 0.0, 147.7/ \n DATA subname(244), dif0(244), ar(244), meso(244), lebas(244) / 'ADIPIC_ACID ',0.0298,28400.0, 0.0, 524.0/ \n DATA subname(245), dif0(245), ar(245), meso(245), lebas(245) / 'ADIPIC_ACID ',0.0405, 696.0, 0.0, 285.4/ \n DATA subname(246), dif0(246), ar(246), meso(246), lebas(246) / 'ADIPIC_ACID ',0.0485, 1440.0, 0.0, 197.0/ \n DATA subname(247), dif0(247), ar(247), meso(247), lebas(247) / 'ADIPIC_ACID ',0.0588,2060000., 0.0, 130.0/ \n DATA subname(248), dif0(248), ar(248), meso(248), lebas(248) / 'ADIPIC_ACID ',0.0308, 36.8, 0.0, 491.0/ \n DATA subname(249), dif0(249), ar(249), meso(249), lebas(249) / 'ADIPIC_ACID ',0.0433, 130.0, 0.0, 251.0/ \n DATA subname(250), dif0(250), ar(250), meso(250), lebas(250) / 'ADIPIC_ACID ',0.0505, 5520.0, 0.0, 183.0/ \n DATA subname(251), dif0(251), ar(251), meso(251), lebas(251) / 'ADIPIC_ACID ',0.0314, 6.8, 0.0, 474.0/ \n DATA subname(252), dif0(252), ar(252), meso(252), lebas(252) / 'ADIPIC_ACID ',0.0394, 583.0, 0.0, 304.0/ \n DATA subname(253), dif0(253), ar(253), meso(253), lebas(253) / 'ADIPIC_ACID ',0.0483, 2820.0, 0.0, 202.0/ \n DATA subname(254), dif0(254), ar(254), meso(254), lebas(254) / 'ADIPIC_ACID ',0.0332, 1.1, 0.0, 425.0/ \n DATA subname(255), dif0(255), ar(255), meso(255), lebas(255) / 'ADIPIC_ACID ',0.0464, 9.6, 0.0, 221.0/ \n DATA subname(256), dif0(256), ar(256), meso(256), lebas(256) / 'ADIPIC_ACID ',0.0355, 1.0, 0.0, 375.0/ \n DATA subname(257), dif0(257), ar(257), meso(257), lebas(257) / 'ADIPIC_ACID ',0.0489, 1.0, 0.0, 198.7/\n DATA subname(258), dif0(258), ar(258), meso(258), lebas(258) / 'IPNOPERA ',0.0652, 86.6, 0.3, 104.8/ ! VD_IPN \n DATA subname(259), dif0(259), ar(259), meso(259), lebas(259) / 'IPCOPERA ',0.0687, 1.0, 0.3, 99.3/ ! VD_IPC \n DATA subname(260), dif0(260), ar(260), meso(260), lebas(260) / 'EBZOPERA ',0.0636, 1.0, 0.0, 122.0/\n DATA subname(261), dif0(261), ar(261), meso(261), lebas(261) / 'XYLOPERA ',0.0636, 1.0, 0.0, 122.0/\n DATA subname(262), dif0(262), ar(262), meso(262), lebas(262) / 'STYOPERA ',0.0700, 1.0, 0.0, 115.4/\n DATA subname(263), dif0(263), ar(263), meso(263), lebas(263) / 'IPXOPERA ',0.0716, 1.0, 0.3, 99.3/\n DATA subname(264), dif0(264), ar(264), meso(264), lebas(264) / 'INALDOPERA ',0.0671, 1.0, 0.1, 78.0/\n DATA subname(265), dif0(265), ar(265), meso(265), lebas(265) / '2NITRO_1BUTNL ',0.0517,216903., 0.1, 152.2/ ! HONIT\n\n\n CONTAINS\n\nC=======================================================================\n Subroutine INIT_MET ( JDATE, JTIME )\n\nC-----------------------------------------------------------------------\nC 30 Mar 01 J.Young: dyn alloc - Use HGRD_DEFN; replace INTERP3 with INTERPX;\nC allocatable RDEPVHT, RJACM, RRHOJ\nC 14 Nov 03 J.Young: add reciprocal vertical Jacobian product for full and\nC mid-layer\nC Tanya took JACOBF out of METCRO3D! Improvise\nC 31 Jan 05 J.Young: dyn alloc - establish both horizontal & vertical\nC domain specifications in one module\nC 16 Feb 11 S.Roselle: replaced I/O API include files with UTILIO_DEFN\nC 25 Jul 19 D.Wong: used N_SOIL_TYPE defined in LSM_Mod to handle\nC various number of soil type from different WRF version\nC-----------------------------------------------------------------------\n\n Use UTILIO_DEFN\n Use LSM_Mod, only : N_SOIL_TYPE\n\n Implicit None\n \n Include SUBST_FILES_ID ! file name parameters\n\nC Arguments:\n Integer, Intent( IN ) :: JDATE, JTIME ! internal simulation date&time\n\nC Local variables:\n Character( 16 ) :: PNAME = 'INIT_MET'\n Character( 16 ) :: VNAME\n CHARACTER( 16 ) :: UNITSCK\n CHARACTER( 30 ) :: MSG1 = ' Error interpolating variable '\n Character( 96 ) :: XMSG = ' '\n\n Integer V\n Integer ALLOCSTAT\n\nC-----------------------------------------------------------------------\n\n If( MET_INITIALIZED )Return\n\n!> Allocate buffers\n ALLOCATE ( BUFF1D( NLAYS ),\n & BUFF2D( NCOLS,NROWS ),\n & BUFF3D( NCOLS,NROWS,NLAYS ), STAT = ALLOCSTAT )\n If ( ALLOCSTAT .Ne. 0 ) Then\n XMSG = 'Failure allocating Buffers'\n Call M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n End If\n\n BUFF1D = 0.0\n BUFF2D = 0.0\n BUFF3D = 0.0\n\n!> Allocate shared arrays\n!> Met_Data\n ALLOCATE( Met_Data%RDEPVHT ( NCOLS,NROWS ),\n & Met_Data%DENS1 ( NCOLS,NROWS ),\n & Met_Data%PRSFC ( NCOLS,NROWS ),\n & Met_Data%Q2 ( NCOLS,NROWS ),\n & Met_Data%QSS_GRND ( NCOLS,NROWS ),\n & Met_Data%RH2 ( NCOLS,NROWS ),\n & Met_Data%RA ( NCOLS,NROWS ),\n & Met_Data%RS ( NCOLS,NROWS ),\n & Met_Data%RC ( NCOLS,NROWS ),\n & Met_Data%RN ( NCOLS,NROWS ),\n & Met_Data%RGRND ( NCOLS,NROWS ),\n & Met_Data%HFX ( NCOLS,NROWS ),\n & Met_Data%LH ( NCOLS,NROWS ),\n & Met_Data%SNOCOV ( NCOLS,NROWS ),\n & Met_Data%TEMP2 ( NCOLS,NROWS ),\n & Met_Data%TEMPG ( NCOLS,NROWS ),\n & Met_Data%TSEASFC ( NCOLS,NROWS ),\n & Met_Data%USTAR ( NCOLS,NROWS ),\n & Met_Data%VEG ( NCOLS,NROWS ),\n & Met_Data%LAI ( NCOLS,NROWS ),\n & Met_Data%WR ( NCOLS,NROWS ),\n & Met_Data%WSPD10 ( NCOLS,NROWS ),\n & Met_Data%WSTAR ( NCOLS,NROWS ),\n & Met_Data%Z0 ( NCOLS,NROWS ),\n & Met_Data%SOIM1 ( NCOLS,NROWS ),\n & Met_Data%SOIT1 ( NCOLS,NROWS ),\n & Met_Data%SEAICE ( NCOLS,NROWS ),\n & Met_Data%MOL ( NCOLS,NROWS ),\n & Met_Data%MOLI ( NCOLS,NROWS ),\n & Met_Data%HOL ( NCOLS,NROWS ),\n & Met_Data%XPBL ( NCOLS,NROWS ),\n & Met_Data%LPBL ( NCOLS,NROWS ),\n & Met_Data%CONVCT ( NCOLS,NROWS ),\n & Met_Data%PBL ( NCOLS,NROWS ),\n! & Met_Data%NACL_EMIS( NCOLS,NROWS ),\n & Met_Data%COSZEN ( NCOLS,NROWS ),\n & Met_Data%CFRAC ( NCOLS,NROWS ),\n & Met_Data%UWIND ( NCOLS+1,NROWS+1,NLAYS ),\n & Met_Data%VWIND ( NCOLS+1,NROWS+1,NLAYS ),\n & Met_Data%KZMIN ( NCOLS,NROWS,NLAYS ),\n & Met_Data%PRES ( NCOLS,NROWS,NLAYS ),\n & Met_Data%QV ( NCOLS,NROWS,NLAYS ),\n & Met_Data%QC ( NCOLS,NROWS,NLAYS ),\n & Met_Data%THETAV ( NCOLS,NROWS,NLAYS ),\n & Met_Data%TA ( NCOLS,NROWS,NLAYS ),\n & Met_Data%RH ( NCOLS,NROWS,NLAYS ),\n & Met_Data%ZH ( NCOLS,NROWS,NLAYS ),\n & Met_Data%ZF ( NCOLS,NROWS,NLAYS ),\n & Met_Data%DZF ( NCOLS,NROWS,NLAYS ),\n & Met_Data%DENS ( NCOLS,NROWS,NLAYS ),\n & Met_Data%RJACM ( NCOLS,NROWS,NLAYS ),\n & Met_Data%RJACF ( NCOLS,NROWS,NLAYS ),\n & Met_Data%RRHOJ ( NCOLS,NROWS,NLAYS ),\n & STAT = ALLOCSTAT )\n If ( ALLOCSTAT .Ne. 0 ) Then\n XMSG = 'Failure allocating met vars'\n Call M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n End If\n\n ALLOCATE( Grid_Data%DX3F ( NLAYS ),\n & Grid_Data%RDX3F ( NLAYS ),\n & Grid_Data%RDX3M ( NLAYS ),\n & Grid_Data%RMSFX4 ( NCOLS,NROWS ),\n & Grid_Data%LON ( NCOLS,NROWS ),\n & Grid_Data%LAT ( NCOLS,NROWS ),\n & Grid_Data%LWMASK ( NCOLS,NROWS ),\n & Grid_Data%OCEAN ( NCOLS,NROWS ),\n & Grid_Data%SZONE ( NCOLS,NROWS ),\n & Grid_Data%PURB ( NCOLS,NROWS ),\n & Grid_Data%SLTYP ( NCOLS,NROWS ),\n & Grid_Data%WSAT ( NCOLS,NROWS ),\n & Grid_Data%WWLT ( NCOLS,NROWS ),\n & Grid_Data%WFC ( NCOLS,NROWS ), !We now use WFC whether BIDI is on or off\n & Grid_Data%CLAY_PX ( NCOLS,NROWS ),\n & Grid_Data%CSAND_PX ( NCOLS,NROWS ),\n & Grid_Data%FMSAND_PX ( NCOLS,NROWS ),\n & Grid_Data%NAME ( n_lufrac ),\n & Grid_Data%LU_Type ( n_lufrac ),\n & Grid_Data%LUFRAC ( NCOLS,NROWS,n_lufrac ),\n & STAT = ALLOCSTAT )\n If ( ALLOCSTAT .Ne. 0 ) Then\n XMSG = 'Failure allocating grid vars'\n Call M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n End If\n Grid_Data%NAME = name_lu\n Grid_Data%LU_Type = cat_lu\n Grid_Data%WWLT = 0.0\n Grid_Data%WSAT = 0.0\n Grid_Data%WFC = 0.0\n Grid_Data%CLAY_PX = 0.0\n Grid_Data%CSAND_PX = 0.0\n Grid_Data%FMSAND_PX = 0.0\n \n If ( BIOGEMIS_BEIS ) Then\n ALLOCATE( Met_Data%SOIT2 ( NCOLS,NROWS ),\n & STAT = ALLOCSTAT )\n If ( ALLOCSTAT .Ne. 0 ) Then\n XMSG = 'Failure allocating layer 2 soil temperature'\n Call M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n End If\n End If\n\n If ( ABFLUX .or. BIOGEMIS_MEGAN ) Then\n ALLOCATE( Met_Data%SOIM2 ( NCOLS,NROWS ),\n & STAT = ALLOCSTAT )\n If ( ALLOCSTAT .Ne. 0 ) Then\n XMSG = 'Failure allocating layer 2 soil moisture'\n Call M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n End If\n END IF\n \n If ( ABFLUX .or. HGBIDI ) Then\n\n ALLOCATE( Grid_Data%BSLP ( NCOLS,NROWS ),\n & Grid_Data%WRES ( NCOLS,NROWS ),\n & STAT = ALLOCSTAT )\n If ( ALLOCSTAT .Ne. 0 ) Then\n XMSG = 'Failure allocating Soil grid vars'\n Call M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n End If\n\n Grid_Data%WRES = 0.0\n Grid_Data%BSLP = 0.0\n End If\n\n!> ccccccccccccccccccccc enable backward compatiblity ccccccccccccccccccccc\n\n IF (RCA_AVAIL) THEN\n vname_rc = 'RCA'\n Else\n vname_rc = 'RC'\n End If\n\n IF (RNA_AVAIL) THEN\n vname_rn = 'RNA'\n Else\n vname_rn = 'RN'\n End If\n\n If (UWINDC_AVAIL) Then\n vname_uc = 'UWINDC'\n CSTAGUV = .TRUE.\n Else\n vname_uc = 'UWIND'\n CSTAGUV = .FALSE.\n End If\n\n If (VWINDC_AVAIL) Then\n vname_vc = 'VWINDC'\n Else\n vname_vc = 'VWIND'\n End If\n\n If ( .Not. MINKZ ) Then\n XMSG = 'This run uses Kz0UT, *NOT* KZMIN in subroutine edyintb.'\n Write( LOGDEV,'(/5X, A, /)' ) XMSG\n End If\n\n#ifndef mpas\n!> Get sigma coordinate variables\n Do L = 1, NLAYS\n Grid_Data%DX3F( L ) = X3FACE_GD( L ) - X3FACE_GD( L-1 )\n Grid_Data%RDX3F( L ) = 1.0 / Grid_Data%DX3F( L )\n BUFF1D( L ) = 0.5 * ( X3FACE_GD( L ) + X3FACE_GD( L-1 ) )\n End Do\n Do L = 1, NLAYS - 1\n Grid_Data%RDX3M( L ) = 1.0 / ( BUFF1D( L+1 ) - BUFF1D( L ) )\n End Do\n Grid_Data%RDX3M( NLAYS ) = 0.0\n#endif\n\n!> reciprocal of msfx2**2\n#ifdef mpas\n Grid_Data%RMSFX4 = 1.0\n Grid_Data%PURB = g2ddata(:,:,purb_ind)\n Grid_Data%SLTYP = INT( g2ddata(:,:,sltyp_ind) )\n Grid_Data%LUFRAC = LUFRAC\n\n DO R = 1, NROWS\n DO C = 1, NCOLS\n IF (Grid_Data%SLTYP(C,R) <= N_SOIL_TYPE) THEN\n Grid_Data%WSAT( C,R ) = WSAT( Grid_Data%SLTYP( C,R ) )\n Grid_Data%WFC ( C,R ) = WFC ( Grid_Data%SLTYP( C,R ) )\n ELSE\n Grid_Data%WSAT( C,R ) = WSAT( N_SOIL_TYPE )\n Grid_Data%WFC ( C,R ) = WFC ( N_SOIL_TYPE )\n END IF\n END DO\n END DO\n\n#else\n\n Grid_Data%RMSFX4 = 1.0 / ( MSFX2**2 )\n\n Grid_Data%PURB = PURB\n\n Grid_Data%SLTYP = NINT( SOILCAT_A )\n\n Grid_Data%LUFRAC = LUFRAC\n\n If ( (ABFLUX .or. HGBIDI .or. BIOGEMIS_MEGAN .or. BIOGEMIS_BEIS) .and. .not. PXSOIL_AVAIL) Then\n Forall( C = 1:NCOLS, R = 1:NROWS, Grid_Data%SLTYP(C,R) .Le. N_SOIL_TYPE )\n Grid_Data%WWLT( C,R ) = WWLT( Grid_Data%SLTYP( C,R ) )\n Grid_Data%WSAT( C,R ) = WSAT( Grid_Data%SLTYP( C,R ) )\n End Forall\n End If\n\n If (.not. PXSOIL_AVAIL) Then\n Forall( C = 1:NCOLS, R = 1:NROWS, Grid_Data%SLTYP(C,R) .Le. N_SOIL_TYPE )\n Grid_Data%WFC ( C,R ) = WFC ( Grid_Data%SLTYP( C,R ) )\n End Forall\n End If\n\n If ( ABFLUX .or. HGBIDI ) Then\n Forall( C = 1:NCOLS, R = 1:NROWS, Grid_Data%SLTYP(C,R) .Le. N_SOIL_TYPE )\n Grid_Data%WRES( C,R ) = WRES( Grid_Data%SLTYP( C,R ) )\n Grid_Data%BSLP( C,R ) = BSLP( Grid_Data%SLTYP( C,R ) )\n End Forall\n End If\n#endif\n\n Grid_Data%LON = LON\n\n Grid_Data%LAT = LAT\n\n Grid_Data%LWMASK = LWMASK\n\n Grid_Data%OCEAN = ocean\n\n Grid_Data%SZONE = szone\n \n MET_INITIALIZED = .true.\n\n Return\n End Subroutine INIT_MET\n\nC=======================================================================\n Subroutine GET_MET ( JDATE, JTIME, TSTEP )\n\nC-----------------------------------------------------------------------\nC 30 Mar 01 J.Young: dyn alloc - Use HGRD_DEFN; replace INTERP3 with INTERPX;\nC allocatable RDEPVHT, RJACM, RRHOJ\nC 14 Nov 03 J.Young: add reciprocal vertical Jacobian product for full and\nC mid-layer\nC Tanya took JACOBF out of METCRO3D! Improvise\nC 31 Jan 05 J.Young: dyn alloc - establish both horizontal & vertical\nC domain specifications in one module\nC 16 Feb 11 S.Roselle: replaced I/O API include files with UTILIO_DEFN\nC-----------------------------------------------------------------------\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n Use UTILIO_DEFN\n#ifndef mpas\n#ifdef parallel\n USE SE_MODULES ! stenex (using SE_COMM_MODULE)\n#else\n USE NOOP_MODULES ! stenex (using NOOP_COMM_MODULE)\n#endif\n#endif\n\n Implicit None\n \n Include SUBST_FILES_ID ! file name parameters\n Include SUBST_PE_COMM ! PE communication displacement and direction\n\nC Arguments:\n\n Integer, Intent( IN ) :: JDATE, JTIME, TSTEP ! internal simulation date&time\n\nC Parameters:\n Real, Parameter :: cond_min = 1.0 / resist_max ! minimum conductance [m/s]\n Real, Parameter :: KZMAXL = 500.0 ! upper limit for min Kz [m]\n Real, Parameter :: KZ0UT = 1.0 ! minimum eddy diffusivity [m**2/sec] KZ0\n Real, Parameter :: KZL = 0.01 ! lowest KZ\n Real, Parameter :: KZU = 1.0 ! 2.0 ! highest KZ\n Real, Parameter :: EPS = 1.0E-08 ! small number for temperature difference\n\nC Local variables:\n Real FINT\n Real CPAIR, LV, QST \n Real TMPFX, TMPVTCON, TST, TSTV\n Integer LP\n Integer C, R, L ! loop induction variables\n\n Character( 16 ) :: PNAME = 'GET_MET'\n Character( 16 ) :: VNAME\n CharactER( 30 ) :: MSG1 = ' Error interpolating variable '\n Character( 96 ) :: XMSG = ' '\n\nC-----------------------------------------------------------------------\nC Interpolate file input variables and format for output\nC-------------------------------- MET_CRO_3D --------------------------------\n \n call interpolate_var ('ZH', jdate, jtime, Met_Data%ZH)\n\n call interpolate_var ('PRES', jdate, jtime, Met_Data%PRES)\n\n call interpolate_var ('ZF', jdate, jtime, Met_Data%ZF)\n\n call interpolate_var ('DENS', jdate, jtime, Met_Data%DENS)\n\n Met_Data%DENS1 = Met_Data%DENS( :,:,1 )\n \n#ifdef mpas\n Met_Data%RJACM = 1.0\n\n Met_Data%RJACF = 1.0\n#else\n call interpolate_var ('JACOBM', jdate, jtime, Met_Data%RJACM)\n\n Met_Data%RJACM = 1.0 / Met_Data%RJACM\n\n call interpolate_var ('JACOBF', jdate, jtime, Met_Data%RJACF)\n\n Met_Data%RJACF = 1.0 / Met_Data%RJACF\n#endif\n\n call interpolate_var ('DENSA_J', jdate, jtime, Met_Data%RRHOJ)\n\n Met_Data%RRHOJ = 1.0 / Met_Data%RRHOJ\n\n call interpolate_var ('TA', jdate, jtime, Met_Data%TA)\n\n call interpolate_var ('QV', jdate, jtime, Met_Data%QV)\n\n call interpolate_var ('QC', jdate, jtime, Met_Data%QC)\n\nC-------------------------------- MET_CRO_2D --------------------------------\nC Vegetation and surface vars\n call interpolate_var ('LAI', jdate, jtime, Met_Data%LAI)\n\n call interpolate_var ('VEG', jdate, jtime, Met_Data%VEG)\n\n call interpolate_var ('ZRUF', jdate, jtime, Met_Data%Z0)\n\nC Soil vars\n#ifdef mpas\n Met_Data%SOIM1 = smois_data(:,:,1)\n Met_Data%SOIM2 = smois_data(:,:,2)\n Met_Data%CLDFRAC = g2ddata(:,:,cfrac2dt_ind) ! for BDSNP soil NO\n#else\n call interpolate_var ('SOIM1', jdate, jtime, Met_Data%SOIM1)\n\n If ( ABFLUX .or. BIOGEMIS_MEGAN) Then\n call interpolate_var ('SOIM2', jdate, jtime, Met_Data%SOIM2)\n End If\n#endif\n\n call interpolate_var ('SOIT1', jdate, jtime, Met_Data%SOIT1)\n\n If ( BIOGEMIS_BEIS ) Then\n call interpolate_var ('SOIT2', jdate, jtime, Met_Data%SOIT2)\n End If\n\n call interpolate_var ('SEAICE', jdate, jtime, Met_Data%SEAICE)\n\nC met vars\n\n call interpolate_var ('PRSFC', jdate, jtime, Met_Data%PRSFC)\n\n call interpolate_var ('RGRND', jdate, jtime, Met_Data%RGRND)\n\n call interpolate_var ('SNOCOV', jdate, jtime, Met_Data%SNOCOV)\n\n Where( Met_Data%SNOCOV .Lt. 0.0 )\n Met_Data%SNOCOV = 0.0\n End Where\n\n call interpolate_var ('TEMP2', jdate, jtime, Met_Data%TEMP2)\n\n call interpolate_var ('TEMPG', jdate, jtime, Met_Data%TEMPG)\n\n call interpolate_var ('USTAR', jdate, jtime, Met_Data%USTAR)\n\n call interpolate_var ('WSPD10', jdate, jtime, Met_Data%WSPD10)\n\n call interpolate_var ('HFX', jdate, jtime, Met_Data%HFX)\n\n If ( LH_AVAIL ) Then\n call interpolate_var ('LH', jdate, jtime, Met_Data%LH)\n Else ! for backward compatibility\n call interpolate_var ('QFX', jdate, jtime, Met_Data%LH)\n End If\n\n call interpolate_var ('PBL', jdate, jtime, Met_Data%PBL)\n\n ! Update for WRFV4.1+ PX LSM runs that have soil texture in output for\n ! CMAQ dust scheme. These are initialized to 0 if not present in MCIP.\n ! DUST_EMIS.F will use table lookup values if 0 (old WRF or other LSMs). \n If ( PXSOIL_AVAIL ) Then\n call interpolate_var ('CLAY_PX', jdate, jtime, Grid_Data%CLAY_PX)\n call interpolate_var ('CSAND_PX', jdate, jtime, Grid_Data%CSAND_PX)\n call interpolate_var ('FMSAND_PX', jdate, jtime, Grid_Data%FMSAND_PX)\n call interpolate_var ('WSAT_PX', jdate, jtime, Grid_Data%WSAT)\n call interpolate_var ('WFC_PX', jdate, jtime, Grid_Data%WFC)\n call interpolate_var ('WWLT_PX', jdate, jtime, Grid_Data%WWLT)\n End If\n\n\nC Met_cro_2D variables that have recently changed due to MCIP or WRF/CMAQ\n\n call interpolate_var (vname_rn, jdate, jtime, Met_Data%RN)\n\n call interpolate_var (vname_rc, jdate, jtime, Met_Data%RC)\n\n call interpolate_var ('CFRAC', jdate, jtime, Met_Data%CFRAC)\n\n If ( WR_AVAIL ) Then\n call interpolate_var ('WR', jdate, jtime, Met_Data%WR)\n End If\n\n If ( TSEASFC_AVAIL ) Then\n call interpolate_var ('TSEASFC', jdate, jtime, Met_Data%TSEASFC)\n Else\n Met_Data%TSEASFC = Met_Data%TEMPG\n End If\n\n If ( .not. RA_RS_AVAIL ) Then\n call interpolate_var ('RADYNI', jdate, jtime, Met_Data%RA)\n\n Where( Met_Data%RA .Gt. cond_min ) \n Met_Data%RA = 1.0/Met_Data%RA\n Elsewhere\n Met_Data%RA = resist_max\n End Where\n\n call interpolate_var ('RSTOMI', jdate, jtime, Met_Data%RS)\n\n Where( Met_Data%RS .Gt. cond_min ) \n Met_Data%RS = 1.0 / Met_Data%RS\n Elsewhere \n Met_Data%RS = resist_max\n End Where\n\n Else \n\n call interpolate_var ('RA', jdate, jtime, Met_Data%RA)\n\n call interpolate_var ('RS', jdate, jtime, Met_Data%RS)\n\n End If\n\n If ( Q2_AVAIL ) Then ! Q2 in METCRO2D\n call interpolate_var ('Q2', jdate, jtime, Met_Data%Q2)\n Else\n Met_Data%Q2 = Met_Data%QV( :,:,1 )\n End If\n \n Where( Met_Data%TEMPG .Lt. stdtemp )\n BUFF2D = vp0 *Exp( 22.514 - ( 6.15e3 / Met_Data%TEMPG ) )\n Elsewhere\n BUFF2D = vp0 *Exp( svp2 * ( Met_Data%TEMPG -stdtemp ) / ( Met_Data%TEMPG -svp3 ) ) \n End Where\n Met_Data%QSS_GRND = BUFF2D * 0.622 / ( Met_Data%PRSFC - BUFF2D )\n\n Where( Met_Data%TEMP2 .Lt. stdtemp )\n BUFF2D = vp0 *Exp( 22.514 - ( 6.15e3 / Met_Data%TEMP2 ) )\n Elsewhere\n BUFF2D = vp0 *Exp( svp2 * ( Met_Data%TEMP2 -stdtemp ) / ( Met_Data%TEMP2 -svp3 ) )\n End Where\n\n ! Calculate Relative Humidity at 2m\n Met_Data%RH2 = Met_Data%Q2 / ( BUFF2D * 0.622 / ( Met_Data%PRSFC - BUFF2D ) ) * 100.0\n Where( Met_Data%RH2 .Gt. 100.0 )\n Met_Data%RH2 = 100.0\n Elsewhere( Met_Data%RH2 .lt. 0.0 )\n Met_Data%RH2 = 0.0\n End Where\n\n ! Calculate 3D Relative Humidity at Grid Scale\n MET_DATA%RH = MET_DATA%QV * MET_DATA%PRES / ( MET_DATA%QV + 0.622015 ) /\n & ( 610.94 * EXP( 17.625 * ( MET_DATA%TA - 273.15 ) / \n & ( MET_DATA%TA - 273.15 + 243.04 ) ) )\n MET_DATA%RH = MIN( 0.9999, MAX( 0.001, MET_DATA%RH ) )\n\n#ifndef mpas\nC-------------------------------- MET_DOT_3D --------------------------------\n call interpolate_var (vname_uc, jdate, jtime, Met_Data%UWIND)\n\n call interpolate_var (vname_vc, jdate, jtime, Met_Data%VWIND)\n\nC get ghost values for wind fields in case of free trop.\n CALL SUBST_COMM ( Met_Data%UWIND, DSPL_N0_E1_S0_W0, DRCN_E )\n CALL SUBST_COMM ( Met_Data%VWIND, DSPL_N1_E0_S0_W0, DRCN_N )\n#endif\n\nC-------------------------------- Calculated Variables --------------------------------\n Met_Data%DZF = Met_Data%ZF - EOSHIFT(Met_Data%ZF, Shift = -1, Boundary = 0.0, Dim = 3)\n\n Met_Data%RDEPVHT = 1.0 / Met_Data%ZF( :,:,1 )\n\n IF ( MINKZ ) THEN\n Met_Data%KZMIN = KZL\n DO L = 1, NLAYS\n Where( Met_Data%ZF( :,:,L ) .LE. KZMAXL )\n Met_Data%KZMIN( :,:,L ) = KZL + ( KZU - KZL ) * 0.01 * Grid_data%PURB\n End Where\n End Do\n ELSE\n Met_Data%KZMIN = KZ0UT\n END IF\n\n BUFF3D = Met_Data%TA * ( 1.0 + 0.608 * Met_Data%QV )\n Met_Data%THETAV = BUFF3D * ( P0 / Met_Data%PRES ) ** 0.286\n\n#ifdef mpas\n Met_Data%MOL = 1./g2ddata(:,:,rmol_ind)\n#endif\n\nC------ Updating MOL, then WSTAR, MOLI, HOL \n DO R = 1, NROWS\n DO C = 1, NCOLS\n#ifndef mpas\n ! CPAIR = 1004.67 * ( 1.0 + 0.84 * Met_Data%QV( C,R,1 ) ) ! J/(K KG)\n CPAIR = CPD * ( 1.0 + 0.84 * Met_Data%QV( C,R,1 ) ) ! J/(K KG)\n TMPFX = Met_Data%HFX( C,R ) / ( CPAIR * Met_Data%DENS( C,R,1 ) )\n TMPVTCON = 1.0 + 0.608 * Met_Data%QV( C,R,1 ) ! Conversion factor for virtual temperature\n TST = -TMPFX / Met_Data%USTAR( C,R )\n IF ( Met_Data%TA( C,R,1 ) .GT. STDTEMP ) THEN\n LV = LV0 - ( 0.00237 * ( Met_Data%TA( C,R,1 ) - STDTEMP ) ) * 1.0E6\n ELSE\n LV = 2.83E6 ! Latent heat of sublimation at 0C from Stull (1988) (J/KG)\n END IF\n QST = -( Met_Data%LH( C,R ) / LV )\n & / ( Met_Data%USTAR( C,R ) * Met_Data%DENS( C,R,1 ) )\n TSTV = TST * TMPVTCON + Met_Data%THETAV( C,R,1 ) * 0.608 * QST\n IF ( ABS( TSTV ) .LT. 1.0E-6 ) THEN\n TSTV = SIGN( 1.0E-6, TSTV )\n END IF\n Met_Data%MOL( C,R ) = Met_Data%THETAV( C,R,1 )\n & * Met_Data%USTAR( C,R ) ** 2 / ( karman * GRAV * TSTV )\n#endif\n IF ( Met_Data%MOL( C,R ) .LT. 0.0 ) THEN\n Met_Data%WSTAR( C,R ) = Met_Data%USTAR( C,R ) * ( Met_Data%PBL( C,R )\n & / ( karman * ABS( Met_Data%MOL( C,R ) ) ) ) ** 0.333333\n ELSE\n Met_Data%WSTAR( C,R ) = 0.0\n END IF\n\n END DO\n END DO\n \n Met_Data%MOLI = 1.0 / Met_Data%MOL \n Met_Data%HOL = Met_Data%PBL / Met_Data%MOL\nC------\n\n Met_Data%CONVCT = .FALSE.\n DO R = 1, NROWS\n DO C = 1, NCOLS\n DO L = 1, NLAYS\n IF ( Met_Data%PBL( C,R ) .LT. Met_Data%ZF( C,R,L ) ) THEN\n LP = L; EXIT\n END IF\n END DO\n\n Met_Data%LPBL( C,R ) = LP\n#ifndef mpas\n If ( LP .Eq. 1 ) Then\n FINT = ( Met_Data%PBL( C,R ) )\n & / ( Met_Data%ZF( C,R,LP ) )\n Met_Data%XPBL( C,R ) = FINT * ( X3FACE_GD( LP ) - X3FACE_GD( LP-1 ) )\n & + X3FACE_GD( LP-1 )\n Else\n FINT = ( Met_Data%PBL( C,R ) - Met_Data%ZF( C,R,LP-1 ) )\n & / ( Met_Data%ZF( C,R,LP ) - Met_Data%ZF( C,R,LP-1 ) )\n Met_Data%XPBL( C,R ) = FINT * ( X3FACE_GD( LP ) - X3FACE_GD( LP-1 ) )\n & + X3FACE_GD( LP-1 )\n End If\n#endif\n END DO\n END DO\n Where( Met_Data%THETAV( :,:,1 ) - Met_Data%THETAV( :,:,2 ) .Gt. EPS .And.\n & Met_Data%HOL .Lt. -0.02 .And. Met_Data%LPBL .Gt. 3 )\n Met_Data%CONVCT = .True.\n End Where\n\n! Calculate the cosine of the zenith angle \n CALL CZANGLE(JDATE, JTIME, NCOLS, NROWS )\n\n Return\n End Subroutine GET_MET\n\n End Module ASX_DATA_MOD\n" }, { "path": "CCTM/src/vdiff/acm2_m3dry/SEDIMENTATION.F", "content": "!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n module sedimentation\n\nC Revision History:\nC 03 Jul 15 J.Young: inital\n\n implicit none\n\n public sedi\n\n private\n\n include SUBST_CONST ! constants\n include SUBST_FILES_ID ! file name parameters\n\n real, allocatable, save :: cgrd( :,: ) ! density units\n real, allocatable, save :: conc( :,: ) ! mixing ratio units\n#ifdef isam\n real(8), allocatable, save :: conc_isam( :,:,: ) ! extracted isam mixing ratio units\n#endif\n\n real, allocatable, save :: ldens( : ) ! local density kg m-3\n\n integer, save :: nqae ! number of micro-grams/m**3 species\n integer, save :: nnae ! number of #/m**3 species\n integer, save :: nsae ! number of m**2/m**3 species\n integer, save :: cg_off ! cngrd offset to aero species\n integer, allocatable, save :: qae( : ) ! cgrd pointer to micro-grams/m**3 species\n integer, allocatable, save :: nae( : ) ! cgrd pointer to #/m**3 species\n integer, allocatable, save :: sae( : ) ! cgrd pointer to m**2/m**3 species\n real, allocatable, save :: molwt( : ) ! only for \"qae\" species\n! integer, save :: odate, otime\n real conv, fac ! temp var\n integer ios\n\n integer gxoff, gyoff ! global origin offset from file\nC for interpx\n integer, save :: strtcolmc3, endcolmc3, strtrowmc3, endrowmc3\n integer, allocatable, save :: map_sedi2cgrid( : )\n integer, save :: n_sedi_map ! aero species, all modes\n#ifdef isam\n integer, save :: n_isam_sedi_map ! isam aero species, all modes\n integer, allocatable, save :: isam_sedi_map( : )\n#endif\n\n contains\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n subroutine sedi ( jdate, jtime, dtsec, sedvel, cgrid, cngrd )\nC Revision History:\nC J.Young, J.Pleim: inital\nC 07 Nov 14 J.Bash: Updated for the ASX_DATA_MOD shared data module. \nC 05 Mar 15 J.Pleim: correct layer thickness index off by 1\nC 15 Jul 15 J.Young: correct sub timestep calculation and apply Martin Otte`s\nC correction for the first-order upstream sedimentation\nC 1 Feb 19 David Wong: removed all MY_N clauses\nC-----------------------------------------------------------------------\n\n use cgrid_spcs ! cgrd mechanism species\n use grid_conf\n use asx_data_mod\n use vdiff_map\n use utilio_defn\n use vdiff_diag, dtccr => dtccr_mean\n#ifdef isam\n use sa_defn\n#endif\n\n implicit none\n\nC Arguments:\n integer, intent( in ) :: jdate, jtime !\n real, intent( in ) :: dtsec ! model time step in seconds\nC grav settling velocity applies only to coarse mode aerosols (J-,K-mode), but the VGS\nC array is filled for *all* cgrd diffused species. VGS is set to zero for all the non-\nC coarse mode aerosols.\n real, intent( out ) :: sedvel( :,:,:,: ) ! grav settling vel. for diagnostic\n real, pointer :: cgrid ( :,:,:,: )\n real, intent( inout ) :: cngrd ( :,:,:,: ) ! cgrid replacement\n\nc Parameters:\n real, parameter :: alpha = 1.1\n! real, parameter :: alpha = 2.0\n\nc External Functions:\n\nC Local Variables:\n\n character( 120 ) :: xmsg = ' '\n character( 16 ), save :: pname = 'SEDI'\n logical, save :: firstime = .TRUE.\n\n real, allocatable, save :: vsed ( :,: ) ! settling vel.\n real, allocatable, save :: vsed_ae ( :,: ) ! settling vel.\n real, allocatable, save :: dtsvsed ( :,: ) ! settling vel. factor\n real, allocatable, save :: sumvsed ( :,: ) ! for diagnostics\n real, allocatable, save :: rdl ( : ) ! subloop var\n real, allocatable, save :: rrhodz ( : ) ! reciprocal rho * deltaZ\n integer, allocatable, save :: sedi_map( : )\n integer, allocatable, save :: conc_map( : )\n#ifdef isam\n integer, allocatable, save :: map_sedi_to_isam( : )\n real, allocatable, save :: isam_dtsvsed ( : ) ! isam settling vel. factor\n#endif\n real adts, dts, rdts\n real ldt, fs\n integer off, dtc, iter \n integer c, r, l, n, s, v\n integer astat\n integer mdate, mtime\n\n interface ! for external procedures\n subroutine aero_sedv ( col, row, cgrd, vsed_ae )\n integer, intent( in ) :: col, row\n real, intent( in ) :: cgrd( :,: )\n real, intent( out ) :: vsed_ae( :,: )\n end subroutine aero_sedv\n end interface\n\nC-----------------------------------------------------------------------\n\n if ( firstime ) then\n\n firstime = .false.\n\n mdate = 0; mtime = 0\n\nc sedi_map - from ae_trns to ae_spc (currently, all ae spc`s are transported)\nc conc_map - from cgrid to ae_trns species\n allocate ( sedi_map( n_ae_spc ),\n & map_sedi2cgrid( n_cgrid_spc ),\n & conc_map( n_ae_spc ), stat = astat )\n if ( astat .ne. 0 ) then\n xmsg = 'Failure allocating VSED_MAP or CONC_MAP'\n call m3exit( pname, mdate, mtime, xmsg, xstat1 )\n end if\n#ifdef isam\n allocate ( isam_sedi_map( nspc_sa_ae ),\n & map_sedi_to_isam( nspc_sa_ae ), stat = astat )\n if ( astat .ne. 0 ) then\n xmsg = 'Failure allocating map_sedi_to_isam or isam_sedi_map'\n call m3exit( pname, mdate, mtime, xmsg, xstat1 )\n end if\n isam_sedi_map = 0\n map_sedi_to_isam = 0\n n_isam_sedi_map = 0\n#endif\n map_sedi2cgrid = 0\n off = n_gc_trns \n cg_off = ae_strt - 1 \n n_sedi_map = 0\n do v = 1, n_ae_spc\n n = index1( ae_spc( v ), n_ae_trns, ae_trns )\n if ( n .gt. 0 ) then\n n_sedi_map = n_sedi_map + 1\n sedi_map( n_sedi_map ) = n\n map_sedi2cgrid( n_sedi_map ) = n+cg_off\n conc_map( n_sedi_map ) = diff_map( n + off )\n#ifdef isam\n do s = 1, nspc_sa_ae\n if( isam_to_aero( s ) .eq. sedi_map( n_sedi_map ) ) then\n n_isam_sedi_map = n_isam_sedi_map + 1\n isam_sedi_map( n_isam_sedi_map ) = sedi_map( n_sedi_map ) \n map_sedi_to_isam( n_isam_sedi_map ) = sa_aero_indx( s ) \n end if\n end do\n#endif\n end if\n end do\n write( logdev,'( 19x, \"SEDI_MAP\", 4x, \"CONC_MAP\" )' )\n do v = 1, n_sedi_map\n write( logdev,* ) v, sedi_map( v ), conc_map( v )\n end do\n#if defined(verbose_isam) && defined(isam)\n write(logdev,'(\"ISAM Aerosol Sedimentation Mapping\")')\n write( logdev,'( A4,1X,2(A16,1X),3(A8,1x) )' )\" N \",\" Bulk AERO \",\" ISAM AERO \",\n & \"SEDI_MAP\", \"CONC_MAP\",\"MOLE_WGT\"\n do v = 1, n_isam_sedi_map\n write( logdev,'( I4,1X,2(A16,1X),2(I8,1x),F8.2 )' ) v, ae_spc( isam_sedi_map( v ) ),\n & isam_spec( map_sedi_to_isam( v ),1 ), isam_sedi_map( v ), map_sedi_to_isam( v ),\n & CGRID_MW( MAP_SEDI2CGRID(isam_sedi_map( v )) )\n end do\n#endif\n\n allocate ( vsed_ae( n_ae_spc,nlays ), stat = astat )\n if ( astat .ne. 0 ) then\n xmsg = 'Failure allocating VSED_AE'\n call m3exit( pname, mdate, mtime, xmsg, xstat1 )\n end if\n vsed_ae = 0.0 ! array assignment\n\n allocate ( cgrd( nlays,size( cgrid,4 ) ), stat = astat )\n if ( astat .ne. 0 ) then\n xmsg = 'Failure allocating CGRD'\n call m3exit( pname, mdate, mtime, xmsg, xstat1 )\n end if\n\n allocate ( conc( n_sedi_map,nlays ),\n & vsed( n_sedi_map,nlays ),\n & dtsvsed( n_sedi_map,nlays ), stat = astat )\n if ( astat .ne. 0 ) then\n xmsg = 'Failure allocating CONC, VSED, or DTSVSED'\n call m3exit( pname, mdate, mtime, xmsg, xstat1 )\n end if\n#ifdef isam\n allocate ( conc_isam( n_isam_sedi_map,nlays,ntag_sa ), \n & isam_dtsvsed( nlays ), stat = astat )\n if ( astat .ne. 0 ) then\n xmsg = 'Failure allocating CONC0,CONC_ISAM'\n call m3exit( pname, mdate, mtime, xmsg, xstat1 )\n end if\n#endif\n\n conc = 0.0 ! array assignment\n vsed = 0.0 ! array assignment\n\n allocate ( rdl( nlays ),\n & rrhodz( nlays ),\n & ldens( nlays ), stat = astat )\n if ( astat .ne. 0 ) then\n xmsg = 'Failure allocating RDL, RRHODZ, or LDENS'\n call m3exit( pname, mdate, mtime, xmsg, xstat1 )\n end if\n\n if ( vdiffdiag ) then\n allocate ( sumvsed( n_ae_spc,nlays ), stat = astat )\n if ( astat .ne. 0 ) then\n xmsg = 'Failure allocating SUMVSED'\n call m3exit( pname, mdate, mtime, xmsg, xstat1 )\n end if\n end if\n\n end if ! if firstime\n\n do 345 r = 1, nrows\n do 344 c = 1, ncols\n\nC subset all the layers and species in cgrid for this grid cell\n do v = 1, size( cgrid,4 )\n do l = 1, nlays\n cgrd( l,v ) = cgrid( c,r,l,v )\n end do\n end do\n\n#ifdef isam\n do v = 1, n_isam_sedi_map\n n = map_sedi_to_isam( v )\n do l = 1, nlays\n do itag = 1,ntag_sa\n! used upper case to not conflict with CCP flag\n conc_isam( v,l,itag ) = ISAM( c,r,l,n,itag )\n end do\n end do\n end do\n#endif\n do l = 1, nlays\n#ifdef mpas\n rdl( l ) = alpha * Met_Data%rjacf( c,r,l ) * inv_cell_thickness(c, r, l)\n rrhodz( l ) = Met_Data%rrhoj( c,r,l ) * inv_cell_thickness(c, r, l)\n#else\n rdl( l ) = alpha * Met_Data%rjacf( c,r,l ) * Grid_Data%rdx3f( l )\n rrhodz( l ) = Met_Data%rrhoj( c,r,l ) * Grid_Data%rdx3f( l )\n#endif\n\n ldens( l ) = Met_Data%dens( c,r,l )\n end do\n\n if ( vdiffdiag ) then\n sumvsed = 0.0 ! array assignment\n end if\n adts = 0.0; dtc = 0; iter = 0\n\n do while ( adts .lt. dtsec .and. iter .le. 10 )\n iter = iter + 1\n\n call aero_sedv( c, r, cgrd, vsed_ae )\n if ( vdiffdiag ) sumvsed = sumvsed + vsed_ae\n\n ! cgrd -> conc: from density units to mixing ratio units\n call conv_cgrd( )\n\n do v = 1, n_sedi_map\n vsed( v,: ) = vsed_ae( sedi_map( v ),: )\n end do\n\n ! Assess reciprocal of the time step and increase it if\n ! one of the surrogates shows a very fast sedimentation \n ! velocity\n rdts = 1.0 / dtsec\n do l = 1, nlays\n do v = 1, n_sedi_map\n fs = rdl( l ) * vsed( v,l )\n if ( rdts .lt. fs ) rdts = fs\n end do\n end do\n dts = 1.0 / rdts\n \n ! Add the new time step increment\n adts = adts + dts\n if ( adts .gt. dtsec ) then ! don`t overshoot the timestep\n dts = dtsec - (adts - dts)\n adts = dtsec\n end if\n\n dtc = dtc + 1\n\n ! Integrate sedimentation velocity change in time\n do l = 1, nlays\n ldt = dts * ldens( l )\n do v = 1, n_sedi_map\n dtsvsed( v,l ) = ldt * vsed( v,l )\n end do\n end do\n\n ! Important Issue: Are these rrhodz values being applied\n ! correctly or should they be matched to each layer?\n\n ! Apply sedimentation from layer 2 to layer 1, only\n ! production\n l = 1\n do v = 1, n_sedi_map\n conc( v,l ) = conc( v,l )\n & + dtsvsed( v,l+1 ) * conc( v,l+1 ) * rrhodz( l )\n end do\n#ifdef isam\n do v = 1, n_isam_sedi_map\n s = isam_sedi_map( v )\n do itag = 1,ntag_sa\n conc_isam( v,l,itag ) = conc_isam( v,l,itag )\n & + dtsvsed( s,l+1 ) * conc_isam( v,l+1,itag ) * rrhodz( l )\n end do\n end do\n#endif\n\n ! Apply production and loss to layers 2 through NZ-1\n do l = 2, nlays-1\n do v = 1, n_sedi_map\n conc( v,l ) = conc( v,l )\n & + ( dtsvsed( v,l+1 ) * conc( v,l+1 )\n & - dtsvsed( v,l ) * conc( v,l ) ) * rrhodz( l )\n end do\n#ifdef isam\n do v = 1, n_isam_sedi_map\n s = isam_sedi_map( v )\n do itag = 1,ntag_sa\n conc_isam( v,l,itag ) = conc_isam( v,l,itag )\n & + dtsvsed( s,l+1 ) * conc_isam( v,l+1,itag ) * rrhodz( l )\n & - dtsvsed( s,l ) * conc_isam( v,l,itag ) * rrhodz( l )\n\n end do\n end do\n#endif\n end do\n\n ! Apply only loss to layer NZ\n l = nlays\n do v = 1, n_sedi_map\n conc( v,l ) = conc( v,l )\n & - dtsvsed( v,l ) * conc( v,l ) * rrhodz( l )\n end do\n#ifdef isam\n do v = 1, n_isam_sedi_map\n s = isam_sedi_map( v )\n do itag = 1,ntag_sa\n conc_isam( v,l,itag ) = conc_isam( v,l,itag )\n & - dtsvsed( s,l ) * conc_isam( v,l,itag ) * rrhodz( l )\n end do \n end do\n#endif\n\n ! conc -> cgrd: from mixing ratio units to density units\n call conv_conc( )\n end do ! while\n if ( vdiffdiag ) then\n dtccr( c,r ) = real( dtc )\n do l = 1, nlays\n do v = 1, n_ae_spc\n sedvel( v,l,c,r ) = sumvsed( v,l ) / real( dtc )\n end do\n end do\n end if\n\n do l = 1, nlays\n do v = 1, n_sedi_map\n cngrd( conc_map( v ),l,c,r ) = conc( v,l )\n end do\n end do\n#ifdef isam\n do v = 1, n_isam_sedi_map\n n = map_sedi_to_isam( v )\n do l = 1, nlays\n do itag = 1,ntag_sa\n! used upper case to not conflict with CCP flag\n ISAM( c,r,l,n,itag ) = conc_isam( v,l,itag )\n end do\n end do\n end do\n#endif\n#if defined(isam) && defined(verbose_isam)\n if( c .eq. 1 .and. r .eq. 1 )then\n write( logdev,'(\"ISAM Aerosol Sedimentation Results for col and row equal 1\")')\n write( logdev,'( A4,1X,2(A16,1X),2(A12,1x) )' )\" N \",\" Bulk AERO \",\" ISAM AERO \",\n & \"SUM_BULK \", \"SUM_ISAM \"\n do v = 1, n_isam_sedi_map\n write( logdev,'( I4,1X,2(A16,1X),2(ES12.4,1x) )' ) v, ae_spc( isam_sedi_map( v ) ),\n & isam_spec( map_sedi_to_isam( v ),1 ), sum( conc( isam_sedi_map( v ),1:nlays ) ), \n & sum(conc_isam( v,1:nlays,1:ntag_sa ))\n end do\n end if\n#endif\n\n\n344 continue ! end loop on col C\n345 continue ! end loop on row R\n\n return\n end subroutine sedi\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n\n subroutine conv_cgrd( )\n use cgrid_spcs ! cgrd mechanism species\n use grid_conf ! horizontal & vertical domain specifications\n use utilio_defn\n use asx_data_mod\n use vdiff_map\n\n implicit none\n\n integer i, l, v ! loop induction variables\n real FAC1( nlays )\n real, parameter :: mwair_si = mwair * 1.0e-3\n\nC-----------------------------------------------------------------------\n\n FAC1 = MWAIR_SI / LDENS ! kg m-3 -> m3 mol-1\n\n DO I = 1,N_SEDI_MAP\n ! Aerosol Mass: ug/m3 -> ppmv\n IF ( CGRID_MASK_AERO( MAP_SEDI2CGRID(I) ) .AND.\n & .NOT. CGRID_MASK_NUM( MAP_SEDI2CGRID(I) ) .AND.\n & .NOT. CGRID_MASK_SRF( MAP_SEDI2CGRID(I) ) )\n & CONC( I,: ) = CGRD( :,MAP_SEDI2CGRID(I) ) \n & *FAC1( : ) / CGRID_MW( MAP_SEDI2CGRID(I) )\n\n ! Aerosol Number: N m-3 -> N mol-1\n ! Aerosol Surface Area: m2/m3 -> m2 / mol air\n IF ( CGRID_MASK_NUM( MAP_SEDI2CGRID(I) ) .OR.\n & CGRID_MASK_SRF( MAP_SEDI2CGRID(I) ) )\n & CONC( I,: ) = CGRD( :,MAP_SEDI2CGRID(I) ) * FAC1( : )\n\n END DO\n\n RETURN\n\n end subroutine conv_cgrd\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n\n subroutine conv_conc ( )\n use cgrid_spcs ! cgrd mechanism species\n use grid_conf ! horizontal & vertical domain specifications\n use vdiff_map\n\n\n implicit none\n\n integer i, l, v ! loop induction variables\n real, parameter :: mwair_si = mwair * 1.0e-3\n real fac1( nlays )\n\nC-----------------------------------------------------------------------\n FAC1 = LDENS / MWAIR_SI ! kg m-3 -> mol m-3\n\n DO I = 1,N_SEDI_MAP\n ! Aerosol Mass: ug/m3 -> ppmv\n IF ( CGRID_MASK_AERO( MAP_SEDI2CGRID(I) ) .AND.\n & .NOT. CGRID_MASK_NUM( MAP_SEDI2CGRID(I) ) .AND.\n & .NOT. CGRID_MASK_SRF( MAP_SEDI2CGRID(I) ) )\n & CGRD( :,MAP_SEDI2CGRID(I) ) = CONC( I,: ) * FAC1( : ) \n & * CGRID_MW( MAP_SEDI2CGRID(I) )\n\n ! Aerosol Number: N m-3 -> N mol-1\n ! Aerosol Surface Area: m2/m3 -> m2 / mol air\n IF ( CGRID_MASK_NUM( MAP_SEDI2CGRID(I) ) .OR.\n & CGRID_MASK_SRF( MAP_SEDI2CGRID(I) ) ) \n & CGRD( :,MAP_SEDI2CGRID(I) ) = CONC( I,: ) * FAC1( : )\n\n END DO\n \n RETURN\n\n end subroutine conv_conc\n\n end module sedimentation\n" }, { "path": "CCTM/src/vdiff/acm2_m3dry/VDIFF_DATA.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n MODULE VDIFF_DATA\n\nC-----------------------------------------------------------------------\nC Function: index mapping between CGRID, diffusion, dry dep, and emissions\nC species\n\nC-----------------------------------------------------------------------\n\nC global diffusion species\n INTEGER, SAVE :: N_SPC_DIFF \n \nC global dry dep species\n CHARACTER( 16 ), ALLOCATABLE, SAVE :: DIFF_SPC( : )\n\n END MODULE VDIFF_DATA\n" }, { "path": "CCTM/src/vdiff/acm2_m3dry/VDIFF_DIAG.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n module vdiff_diag\nC diagnostic output of acm2 parameters and sedimentation velocities\n use runtime_vars\n use utilio_defn\n use grid_conf\n use cgrid_spcs\n\n implicit none\n\n character( 16 ), save :: vdiff_diag_file = 'VDIFF_DIAG_FILE'\n\n integer, save :: n_vdiff\n integer, save :: n_vsed\n character( 16 ), allocatable, save :: vsed_name( : )\n integer, allocatable, save :: vsed_map( : )\n\n integer, save :: ntics = 0 ! no. of substeps within an output time step\nC vdiff sub-timestep counter\n real, allocatable :: nlpcr_mean( :,: ) ! over the output time step TSTEP(1)\n real, allocatable :: nlpcr_max( :,: ) ! over the output time step TSTEP(1)\n real, allocatable :: nlpcr_min( :,: ) ! over the output time step TSTEP(1)\n real, allocatable :: nlpcr_sum( :,: ) ! accumulator\nC sedi sub-timestep counter\n real, allocatable :: dtccr_mean( :,: ) ! over the output time step TSTEP(1)\n real, allocatable :: dtccr_max( :,: ) ! over the output time step TSTEP(1)\n real, allocatable :: dtccr_min( :,: ) ! over the output time step TSTEP(1)\n real, allocatable :: dtccr_sum( :,: ) ! accumulator\n real, allocatable :: cnvct( :,: )\n real, allocatable :: vsed_buf( :,:,:,: )\n\n contains\n\n function vdiff_diag_init( jdate, jtime, tstep1, grvsetl ) result ( success )\n\n! Revision History.\n! Aug 12,2015 D. Wong: Replaced MYPE with IO_PE_INCLUSIVE for parallel I/O implementation\n! Mar 2,2016 D. Wong: Modified the code to handle any combination of two environment\n! variables: CTM_GRAV_SETL and VDIFF_DIAG_FILE, in a robust way for\n! parallel I/O implementation\n\n#ifndef mpas\n#ifdef parallel\n use se_modules ! stenex (using SE_UTIL_MODULE)\n#else\n use noop_modules ! stenex (using NOOP_UTIL_MODULE)\n#endif\n#endif\n\n implicit none\n include SUBST_FILES_ID ! file name parameters\n logical success\n integer jdate, jtime, tstep1\n logical grvsetl\n character( 96 ) :: xmsg = ' '\n character( 16 ) :: pname = 'vdiff_diag_init' \n logical ok, add, skip\n integer i, j, k, v, ios\n integer, allocatable :: found( : )\n\n#ifndef mpas\n success = .true.\n\n if ( grvsetl ) then\n n_vdiff = 8 ! nlp's, sedi dtc's, convct, lpbl\n n_vsed = 6 ! aero sedv\n allocate( vsed_name( n_vsed ),\n & vsed_map( n_vsed ),\n & found( n_vsed ), stat = ios )\n if ( ios .ne. 0 ) then\n xmsg = \"ERROR allocating nlp_'s or cnvct\"\n call m3warn( pname, jdate, jtime, xmsg )\n success = .false.; return\n end if\n vsed_name = ( / 'VNUMACC', 'VNUMCOR', 'VSRFACC',\n & 'VSRFCOR', 'VMASSJ ', 'VMASSC ' / )\n else\n n_vdiff = 5\n n_vsed = 0\n end if\n\n if ( grvsetl ) then\nC Create the vsed_map (find the 1st vsed_ae species for each of the 6 surrogate classes)\n do i = 1, n_vsed\n found( i ) = -9\n end do\n\n k = 0\n do v = 1, n_ae_depv\n\n skip = .true.\n do i = 1, n_vsed ! search the entire list\n if ( ae_depv( v ) .eq. vsed_name( i ) ) skip = .false.\n end do\n if ( skip ) cycle\n\n j = index1( ae_depv( v ), n_vsed, vsed_name )\n add = .true.\n do i = 1, n_vsed ! search the entire list for j\n if ( j .eq. found( i ) ) then\n add = .false.\n end if\n end do\n if ( add ) then ! this j is not in the list; add it\n k = k + 1\n found( k ) = j\n vsed_map( k ) = v\n end if\n\n end do\n \n end if\n\n if ( io_pe_inclusive ) then\n\nC get CONC file header description\n ok = open3( ctm_conc_1, fsread3, pname )\n ok = desc3( ctm_conc_1 )\n if ( .not. ok ) then\n xmsg = 'could not read '// trim( ctm_conc_1 )\n call m3warn( pname, jdate, jtime, xmsg )\n success = .false.; return\n end if\n\n sdate3d = jdate\n stime3d = jtime\n call nextime ( sdate3d, stime3d, tstep1 ) \n\n if ( grvsetl ) then\n\n nvars3d = n_vsed\n fdesc3d = ' ' ! array\n fdesc3d( 1 ) = 'representative coarse aerosol gravitational settling velocities'\n do v = 1, n_vsed\n vtype3d( v ) = m3real\n units3d( v ) = 'm s-1'\n vname3d( v ) = vsed_name( v )\n vdesc3d( v ) = 'gravitational settling velocity'\n end do\n\n ok = open3( ctm_vsed_diag, fsnew3, pname )\n if ( .not. ok ) then\n xmsg = 'could not create '// trim( ctm_vsed_diag ) // ' file'\n call m3warn( 'vdiff_diag', jdate, jtime, xmsg )\n success = .false.; return\n end if\n\n end if\n\n nvars3d = n_vdiff\n nlays3d = 1\n fdesc3d = ' ' ! array\n fdesc3d( 1 ) = 'vdiff diagnostic variables'\n v = 1\n vtype3d( v ) = m3real\n units3d( v ) = ''\n vname3d( v ) = 'NLP_MEAN'\n vdesc3d( v ) = 'mean sub-timestep iteration count'\n v = v + 1\n vtype3d( v ) = m3real\n units3d( v ) = ''\n vname3d( v ) = 'NLP_MAX'\n vdesc3d( v ) = 'max sub-timestep iteration count'\n v = v + 1\n vtype3d( v ) = m3real\n units3d( v ) = ''\n vname3d( v ) = 'NLP_MIN'\n vdesc3d( v ) = 'min sub-timestep iteration count'\n\n if ( grvsetl ) then\n\n v = v + 1\n vtype3d( v ) = m3real\n units3d( v ) = ''\n vname3d( v ) = 'SEDI_DTC_MEAN'\n vdesc3d( v ) = 'mean grav. settling velocity sub-timestep iteration count'\n v = v + 1\n vtype3d( v ) = m3real\n units3d( v ) = ''\n vname3d( v ) = 'SEDI_DTC_MAX'\n vdesc3d( v ) = 'max grav. settling velocity sub-timestep iteration count'\n v = v + 1\n vtype3d( v ) = m3real\n units3d( v ) = ''\n vname3d( v ) = 'SEDI_DTC_MIN'\n vdesc3d( v ) = 'min grav. settling velocity sub-timestep iteration count'\n end if\n\n v = v + 1\n vtype3d( v ) = m3real\n units3d( v ) = ''\n vname3d( v ) = 'CONVCT'\n vdesc3d( v ) = 'Convective cell (for ACM2)'\n v = v + 1\n vtype3d( v ) = m3real\n units3d( v ) = ''\n vname3d( v ) = 'LPBL'\n vdesc3d( v ) = 'PBL top sigma layer'\n\n ok = open3( ctm_vdiff_diag, fsnew3, pname )\n if ( .not. ok ) then\n xmsg = 'could not create '// trim( ctm_vdiff_diag ) // ' file'\n call m3warn( pname, jdate, jtime, xmsg )\n success = .false.; return\n end if\n\n end if ! io_pe_inclusive\n\n allocate ( nlpcr_max( ncols,nrows ),\n & nlpcr_min( ncols,nrows ),\n & nlpcr_mean( ncols,nrows ),\n & nlpcr_sum( ncols,nrows ),\n & cnvct( ncols,nrows ), stat = ios )\n if ( ios .ne. 0 ) then\n xmsg = \"ERROR allocating nlp_'s or cnvct\"\n call m3warn( pname, jdate, jtime, xmsg )\n success = .false.; return\n end if\n nlpcr_max = 0.0 ! array assignment\n nlpcr_min = 9.9E30 ! array assignment\n nlpcr_sum = 0.0 ! array assignment\n\n if ( grvsetl ) then\n\n allocate ( vsed_buf( ncols,nrows,nlays,n_vsed ), stat = ios )\n if ( ios .ne. 0 ) then\n xmsg = 'ERROR allocating vsed_buf'\n call m3warn( pname, jdate, jtime, xmsg )\n success = .false.; return\n end if\n\n allocate ( dtccr_max( ncols,nrows ), \n & dtccr_min( ncols,nrows ), \n & dtccr_mean( ncols,nrows ),\n & dtccr_sum( ncols,nrows ), stat = ios )\n if ( ios .ne. 0 ) then\n xmsg = \"ERROR allocating , sedi dtc's\"\n call m3warn( pname, jdate, jtime, xmsg )\n success = .false.; return\n end if\n dtccr_max = 0.0 ! array assignment\n dtccr_min = 9.9E30 ! array assignment\n dtccr_sum = 0.0 ! array assignment\n\n end if\n\n#ifdef parallel_io\n call se_barrier\n if ( .not. io_pe_inclusive ) then\n if ( grvsetl ) then\n if ( .not. open3 ( ctm_vsed_diag, fsread3, pname ) ) then\n xmsg = 'Could not open ' // trim( ctm_vsed_diag )\n call m3exit ( pname, jdate, jtime, xmsg, xstat2 )\n end if\n end if\n if ( .not. open3 ( ctm_vdiff_diag, fsread3, pname ) ) then\n xmsg = 'Could not open ' // trim( ctm_vdiff_diag )\n call m3exit ( pname, jdate, jtime, xmsg, xstat2 )\n end if\n end if\n#endif\n#endif\n\n end function vdiff_diag_init\n\n end module vdiff_diag\n\n" }, { "path": "CCTM/src/vdiff/acm2_m3dry/VDIFF_MAP.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n MODULE VDIFF_MAP\n\nC-----------------------------------------------------------------------\nC Function: index mapping between CGRID, diffusion, dry dep, and emissions\nC species\n\nC Module depends on prior call to DEPV_INIT to get NDEPV_SPC\n\nC Revision History:\nC 10 Apr 2008 J.Young: initial implementation using subroutine vdiff_map.F\nC 21 Jun 10 J.Young: convert for Namelist redesign\nC 16 Feb 11 S.Roselle: replaced I/O API include files with UTILIO_DEFN\nC 11 May 11 J.Bash: Modified for NH3 bidi component fluxes\nC 04 Jan 12 J.Young: Initalize char strings with blank padding\n\nC-----------------------------------------------------------------------\n USE VDIFF_DATA\n\nC global diffusion species\n !INTEGER, SAVE :: N_SPC_DIFF \n \nC global dry dep species\n INTEGER, SAVE :: N_SPC_DDEP \n\n INTEGER, ALLOCATABLE, SAVE :: DIFF_MAP( : ) ! global diff map to CGRID\n INTEGER, ALLOCATABLE, SAVE :: DF2DV ( : ) ! map from diff spc to depv spc\n INTEGER, ALLOCATABLE, SAVE :: DF2EM ( : ) ! map from diff spc to emis spc\n INTEGER, ALLOCATABLE, SAVE :: DD2DV ( : ) ! map from ddep spc to depv spc\n INTEGER, ALLOCATABLE, SAVE :: DEPV_MAP( : ) ! global depv map to CGRID\n INTEGER, ALLOCATABLE, SAVE :: DV2DF ( : ) ! map from depv spc to diff spc\n\n ! These Masks Identify the Phase/Nature of Species in The Diffused\n ! Species Vector\n LOGICAL, ALLOCATABLE, SAVE :: DIFF_MASK_GAS ( : ) !Gases\n LOGICAL, ALLOCATABLE, SAVE :: DIFF_MASK_AERO( : ) !Particles\n LOGICAL, ALLOCATABLE, SAVE :: DIFF_MASK_NUM ( : ) !Particles\n LOGICAL, ALLOCATABLE, SAVE :: DIFF_MASK_SRF ( : ) !Particles\n LOGICAL, ALLOCATABLE, SAVE :: DIFF_MASK_NR ( : ) !Non-Reactives\n LOGICAL, ALLOCATABLE, SAVE :: DIFF_MASK_TRAC( : ) !Tracers\n\n CHARACTER( 16 ), ALLOCATABLE, SAVE :: DDEP_SPC( : )\n !CHARACTER( 16 ), ALLOCATABLE, SAVE :: DIFF_SPC( : )\n CHARACTER( 16 ), ALLOCATABLE, SAVE :: DEPV_SPC( : )\n CHARACTER( 16 ), ALLOCATABLE, SAVE :: DV2DF_SPC( : )\n REAL, ALLOCATABLE, SAVE :: DIFF_MW ( : )\n\nC component flux output variables \n INTEGER, PARAMETER :: LCMP = 8\n CHARACTER( 16 ), SAVE :: CMPSPC( LCMP ) = ' '\n\n CONTAINS\n\nC-----------------------------------------------------------------------\n FUNCTION VDIFF_MAP_INIT( ) RESULT ( SUCCESS )\n\n USE CGRID_SPCS ! CGRID species number and offsets\n USE UTILIO_DEFN\n\n IMPLICIT NONE\n\nC Includes:\n INCLUDE SUBST_EMISPRM ! Emissions processing control parameters\n\nC Arguments:\n LOGICAL SUCCESS\n\nC External Functions:\n INTEGER, EXTERNAL :: FINDEX\n\nC Local variables:\n \n CHARACTER( 80 ) :: XMSG ! Message text\n CHARACTER( 16 ) :: PNAME = 'VDIFF_MAP'\n\n INTEGER STRT, FINI\n INTEGER S, V, N, I, INDX\n INTEGER ALLOCSTAT\n\n LOGICAL LERROR ! Error flag\n\n!-----------------------------------------------------------------------\n SUCCESS = .TRUE.\n\n N_SPC_DIFF = N_GC_TRNS + N_AE_TRNS + N_NR_TRNS + N_TR_DIFF\n \n ALLOCATE ( DIFF_MAP( N_SPC_DIFF+1 ),\n & DF2DV( N_SPC_DIFF+1 ),\n & DIFF_MW( N_SPC_DIFF+1 ),\n ! & DF2EM( N_SPC_DIFF+1 ),\n & DIFF_SPC( N_SPC_DIFF+1 ), stat = allocstat )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating DIFF_MAP, DF2DV or DIFF_SPC'\n CALL M3WARN( PNAME, 0, 0, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\n N_SPC_DDEP = N_GC_DDEP + N_AE_DDEP + N_NR_DDEP + N_TR_DDEP\n\n ALLOCATE ( DD2DV( N_SPC_DDEP+1 ),\n & DDEP_SPC( N_SPC_DDEP+1 ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating DD2DV or DDEP_SPC'\n CALL M3WARN( PNAME, 0, 0, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\n ALLOCATE ( DEPV_MAP( N_SPC_DEPV+1 ),\n & DEPV_SPC( N_SPC_DEPV ),\n & DV2DF( N_SPC_DEPV ),\n & dv2df_spc( n_spc_depv ), stat = allocstat )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating DEPV_MAP, DEPV_SPC, DV2DF or dv2df_spc'\n CALL M3WARN( PNAME, 0, 0, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\n! Populate global maps to CGRID\n\n! Map Diffusion Module Species to Deposition Velocity Species\n I = 0; S = 0; N = 0\n DO V = 1, N_GC_TRNS ! assumes dep.vel species subset of vdif species\n N = N + 1\n INDX = FINDEX( GC_TRNS_MAP( V ), N_GC_DEPV, GC_DEPV_MAP )\n IF ( INDX .GT. 0 ) THEN\n I = I + 1\n DF2DV( N ) = S + INDX\n ELSE\n DF2DV( N ) = N_SPC_DEPV + 1\n END IF\n END DO\n S = S + I ! S should now be = N_GC_DEPV\n\n I = 0\n DO V = 1, N_AE_TRNS\n N = N + 1\n INDX = FINDEX( AE_TRNS_MAP( V ), N_AE_DEPV, AE_DEPV_MAP )\n IF ( INDX .GT. 0 ) THEN\n I = I + 1\n DF2DV( N ) = S + INDX\n ELSE\n DF2DV( N ) = N_SPC_DEPV + 1\n END IF\n END DO\n S = S + I ! S should now be = N_GC_DEPV + N_AE_DEPV\n\n I = 0\n DO V = 1, N_NR_TRNS\n N = N + 1\n INDX = FINDEX( NR_TRNS_MAP( V ), N_NR_DEPV, NR_DEPV_MAP )\n IF ( INDX .GT. 0 ) THEN\n I = I + 1\n DF2DV( N ) = S + INDX\n ELSE\n DF2DV( N ) = N_SPC_DEPV + 1\n END IF\n END DO\n S = S + I ! S should now be = N_GC_DEPV + N_AE_DEPV + N_NR_DEPV\n\n DO V = 1, N_TR_DIFF\n N = N + 1\n INDX = FINDEX( TR_DIFF_MAP( V ), N_TR_DEPV, TR_DEPV_MAP )\n IF ( INDX .GT. 0 ) THEN\n DF2DV( N ) = S + INDX\n ELSE\n DF2DV( N ) = N_SPC_DEPV + 1\n END IF\n END DO\n\n! Map Deposition Velocity Species to Dry Deposition Module Species\n LERROR = .FALSE.\n S = 0; V = 0\n DO N = 1, N_GC_DDEP\n V = V + 1\n INDX = FINDEX ( GC_DDEP_MAP( N ), N_GC_DEPV, GC_DEPV_MAP )\n IF ( INDX .GT. 0 ) THEN\n DD2DV ( V ) = S + INDX\n DDEP_SPC( V ) = GC_DDEP( N )\n ELSE\n XMSG = 'ERROR: No deposition velocity for DDEP species ' //\n & GC_DDEP( N )\n CALL M3MESG( XMSG )\n LERROR = .TRUE.\n END IF\n END DO\n\n S = N_GC_DEPV\n DO N = 1, N_AE_DDEP\n V = V + 1\n INDX = FINDEX ( AE_DDEP_MAP( N ), N_AE_DEPV, AE_DEPV_MAP )\n IF ( INDX .GT. 0 ) THEN\n DD2DV ( V ) = S + INDX\n DDEP_SPC( V ) = AE_DDEP( N )\n ELSE\n XMSG = 'ERROR: No deposition velocity for DDEP species ' //\n & AE_DDEP( N )\n CALL M3MESG( XMSG )\n LERROR = .TRUE.\n END IF\n END DO\n\n S = N_GC_DEPV + N_AE_DEPV\n DO N = 1, N_NR_DDEP\n V = V + 1\n INDX = FINDEX ( NR_DDEP_MAP( N ), N_NR_DEPV, NR_DEPV_MAP )\n IF ( INDX .GT. 0 ) THEN\n DD2DV ( V ) = S + INDX\n DDEP_SPC( V ) = NR_DDEP( N )\n ELSE\n XMSG = 'ERROR: No deposition velocity for DDEP species ' //\n & NR_DDEP( N )\n CALL M3MESG( XMSG )\n LERROR = .TRUE.\n END IF\n END DO\n\n S = N_GC_DEPV + N_AE_DEPV + N_NR_DEPV\n DO N = 1, N_TR_DEPV\n V = V + 1\n INDX = FINDEX ( TR_DDEP_MAP( N ), N_TR_DEPV, TR_DEPV_MAP )\n IF ( INDX .GT. 0 ) THEN\n DD2DV ( V ) = S + INDX\n DDEP_SPC( V ) = TR_DDEP( N )\n ELSE\n XMSG = 'ERROR: No deposition velocity for DDEP species ' //\n & TR_DDEP( N )\n CALL M3MESG( XMSG )\n LERROR = .TRUE.\n END IF\n END DO\n\n CMPSPC( 1 ) = 'NH3_Emis'\n CMPSPC( 2 ) = 'NH3_Flux'\n CMPSPC( 3 ) = 'NH3_Stom'\n CMPSPC( 4 ) = 'NH3_Cut '\n CMPSPC( 5 ) = 'NH3_Soil'\n CMPSPC( 6 ) = 'NH3_Ag '\n CMPSPC( 7 ) = 'NH3_Nat '\n CMPSPC( 8 ) = 'NH3_Wat '\n\n! Populate Deposition Velocity Map and Species \n S = 0\n DO V = 1, N_GC_DEPV\n S = S + 1\n DEPV_MAP( S ) = GC_STRT - 1 + GC_DEPV_MAP( V )\n DEPV_SPC( S ) = GC_SPC( GC_DEPV_MAP( V ) )\n END DO\n DO V = 1, N_AE_DEPV\n S = S + 1\n DEPV_MAP( S ) = AE_STRT - 1 + AE_DEPV_MAP( V )\n DEPV_SPC( S ) = AE_SPC( AE_DEPV_MAP( V ) )\n END DO\n DO V = 1, N_NR_DEPV\n S = S + 1\n DEPV_MAP( S ) = NR_STRT - 1 + NR_DEPV_MAP( V )\n DEPV_SPC( S ) = NR_SPC( NR_DEPV_MAP( V ) )\n END DO\n DO V = 1, N_TR_DEPV\n S = S + 1\n DEPV_MAP( S ) = TR_STRT - 1 + TR_DEPV_MAP( V )\n DEPV_SPC( S ) = TR_SPC( TR_DEPV_MAP( V ) )\n END DO\n\n! Populate Diffusion Module Map and Species\n ALLOCATE( DIFF_MASK_GAS ( N_SPC_DIFF ) )\n ALLOCATE( DIFF_MASK_AERO( N_SPC_DIFF ) )\n ALLOCATE( DIFF_MASK_NUM( N_SPC_DIFF ) )\n ALLOCATE( DIFF_MASK_SRF( N_SPC_DIFF ) )\n ALLOCATE( DIFF_MASK_NR ( N_SPC_DIFF ) )\n ALLOCATE( DIFF_MASK_TRAC( N_SPC_DIFF ) )\n DIFF_MASK_GAS = .FALSE.\n DIFF_MASK_AERO = .FALSE.\n DIFF_MASK_NUM = .FALSE.\n DIFF_MASK_SRF = .FALSE.\n DIFF_MASK_NR = .FALSE.\n DIFF_MASK_TRAC = .FALSE.\n DIFF_MAP = 0\n DIFF_SPC = \"\"\n DIFF_MW = 0.\n\n S = 0\n DO V = 1, N_GC_TRNS\n S = S + 1\n DIFF_MAP( S ) = GC_STRT - 1 + GC_TRNS_MAP( V )\n DIFF_SPC( S ) = GC_SPC( GC_TRNS_MAP( V ) )\n DIFF_MW ( S ) = GC_MOLWT( GC_TRNS_MAP( V ) )\n DIFF_MASK_GAS( S ) = .TRUE.\n END DO\n DO V = 1, N_AE_TRNS\n S = S + 1\n DIFF_MAP( S ) = AE_STRT - 1 + AE_TRNS_MAP( V )\n DIFF_SPC( S ) = AE_SPC( AE_TRNS_MAP( V ) )\n DIFF_MW ( S ) = AE_MOLWT( AE_TRNS_MAP( V ) )\n DIFF_MASK_AERO( S ) = .TRUE.\n IF ( INDEX( DIFF_SPC( S ), 'NUM' ) .NE. 0 ) THEN\n DIFF_MASK_NUM( S ) = .TRUE.\n END IF\n IF ( INDEX( DIFF_SPC( S ), 'SRF' ) .NE. 0 ) THEN\n DIFF_MASK_SRF( S ) = .TRUE.\n END IF\n END DO\n DO V = 1, N_NR_TRNS\n S = S + 1\n DIFF_MAP( S ) = NR_STRT - 1 + NR_TRNS_MAP( V )\n DIFF_SPC( S ) = NR_SPC( NR_TRNS_MAP( V ) )\n DIFF_MW ( S ) = NR_MOLWT( NR_TRNS_MAP( V ) )\n DIFF_MASK_NR( S ) = .TRUE.\n END DO\n DO V = 1, N_TR_DIFF\n S = S + 1\n DIFF_MAP( S ) = TR_STRT - 1 + TR_DIFF_MAP( V )\n DIFF_SPC( S ) = TR_SPC( TR_DIFF_MAP( V ) )\n DIFF_MW ( S ) = TR_MOLWT( TR_DIFF_MAP( V ) )\n DIFF_MASK_TRAC( S ) = .TRUE.\n END DO\n\n! Map Deposition Velocity Species to Diffusion Module Species\n S = 0; V = 0\n DO N = 1, N_GC_DEPV\n V = V + 1\n INDX = FINDEX ( GC_DEPV_MAP( N ), N_GC_TRNS, GC_TRNS_MAP )\n IF ( INDX .GT. 0 ) THEN\n DV2DF ( V ) = S + INDX\n dv2df_spc( v ) = gc_trns( indx )\n ELSE\n XMSG = 'ERROR: deposition velocity specified for non-diff species '\n & // GC_SPC( GC_DEPV_MAP( N ) )\n CALL M3MESG( XMSG )\n LERROR = .TRUE.\n END IF\n END DO\n\n S = N_GC_TRNS\n DO N = 1, N_AE_DEPV\n V = V + 1\n INDX = FINDEX ( AE_DEPV_MAP( N ), N_AE_TRNS, AE_TRNS_MAP )\n IF ( INDX .GT. 0 ) THEN\n DV2DF ( V ) = S + INDX\n dv2df_spc( v ) = ae_trns( indx )\n ELSE\n XMSG = 'ERROR: deposition velocity specified for non-diff species '\n & // AE_SPC( AE_DEPV_MAP( N ) )\n CALL M3MESG( XMSG )\n LERROR = .TRUE.\n END IF\n END DO\n\n S = N_GC_TRNS + N_AE_TRNS\n DO N = 1, N_NR_DEPV\n V = V + 1\n INDX = FINDEX ( NR_DEPV_MAP( N ), N_NR_TRNS, NR_TRNS_MAP )\n IF ( INDX .GT. 0 ) THEN\n DV2DF ( V ) = S + INDX\n dv2df_spc( v ) = nr_trns( indx )\n ELSE\n XMSG = 'ERROR: deposition velocity specified for non-diff species '\n & // NR_SPC( NR_DEPV_MAP( N ) )\n CALL M3MESG( XMSG )\n LERROR = .TRUE.\n END IF\n END DO\n\n S = N_GC_TRNS + N_AE_TRNS + N_NR_TRNS\n DO N = 1, N_TR_DEPV\n V = V + 1\n INDX = FINDEX ( TR_DEPV_MAP( N ), N_TR_DIFF, TR_DIFF_MAP )\n IF ( INDX .GT. 0 ) THEN\n DV2DF ( V ) = S + INDX\n dv2df_spc( v ) = tr_diff( indx )\n ELSE\n XMSG = 'ERROR: deposition velocity specified for non-diff species '\n & // TR_SPC( TR_DEPV_MAP( N ) )\n CALL M3MESG( XMSG )\n LERROR = .TRUE.\n END IF\n END DO\n\n! Check for Errors and Exit\n IF ( LERROR ) THEN\n XMSG = '*** Species mapping error(s) in VDIFF_MAP'\n CALL M3WARN( PNAME, 0, 0, XMSG )\n SUCCESS = .FALSE.\n END IF\n\n RETURN\n\n END FUNCTION VDIFF_MAP_INIT\n\n END MODULE VDIFF_MAP\n" }, { "path": "CCTM/src/vdiff/acm2_m3dry/aero_depv.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/CCTM/src/aero/aero5/aero_depv.F,v 1.12 2012/01/19 13:12:14 yoj Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC @(#)aero_depv.F 1.3 /project/mod3/CMAQ/src/ae_depv/aero_depv/SCCS/s.aero_depv.F 18 Jun 1997 12:55:48\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n! SUBROUTINE AERO_DEPV ( CGRID, JDATE, JTIME, TSTEP, MOSAIC, VDEP_AE )\n SUBROUTINE AERO_DEPV ( CGRID, JDATE, JTIME, TSTEP, VDEP_AE )\n\nC-----------------------------------------------------------------------\nC aerosol dry deposition routine\nC written 4/9/97 by Dr. Francis S. Binkowski\nC uses code from modpar and vdvg from the aerosol module.\nC This routine uses a single block to hold information\nC for the lowest layer.\nC NOTES: This version assumes that RA is available on the met file.\nc Array structure for vector optimization\nC 26 Apr 97 Jeff - many mods\nC 13 Dec 97 Jeff - expect uncoupled CGRID, concs as micro-g/m**3, #/m**3\nC\nC 1/11/99 David Wong at LM - change NUMCELLS to CELLNUM in the loop index\nC FSB 3/17/99 changed to accommodate surface area/second moment and\nC encapsulated the actual drydep calculation into a subroutine which\nC is attached to this code\nC Jeff - Dec 00 - move CGRID_MAP into f90 module\nC FSB 12/11/2000. Logic added to allow deposition of particles at their\nC \"wet\" diameters; that is, accounting for the water on the particles.\nC This is done by adjusting the third and second moments for the\nC presence of water assuming that the geometric standard deviations\nC are not changed by this process. This appears to be a very good\nC assumption.\nC 30 Aug 01 J.Young: Dyn alloc; Use HGRD_DEFN\nC Jan 03 J.Young: Change CGRID dimensions, eliminate re-allocations\nC 6 Mar 03 J.Young: eliminate a lot of allocate/deallocates\nC 7 Aug 03 S.Roselle: updated code for loading the min aero conc array\nC 17 Dec 03 S.Roselle: Adjust 2nd and 3rd moments to include SOA,\nC without affecting the geometric standard deviations.\nC 31 Jan 05 J.Young: dyn alloc - establish both horizontal & vertical\nC domain specifications in one module\nC 07 Jun 05 P.Bhave: Added code to handle new species in the AE4\nC mechanism: ANAI, ANAJ, ANAK, ACLI, ACLJ, ACLK, ASO4K, AH2OK,\nC and ANO3K; look for ASEAS only when using AE3 mechanism\nC 30 Jan 08 S.Napelenok & P.Bhave: Added code to handle new SOA species\nC in AE5; defined DRY aerosol to include nonvolatile SOA spcs\nC 14 Apr 08 J.Kelly: Added code to handle new species ANH4K and SRFCOR.\nC Also added code to handle variable coarse mode standard deviation\nC in AE5 (no longer fixed at 2.2).\nC 08 Sep 08 P.Bhave: Backward compatibility with AE4 mechanisms\nC standardized names of all coarse-mode variables\nC 19 Apr 10 S.Howard: aero re-engineering for modularity\nC 23 Apr 10 J.Young: replace chem mechanism include files with namelists\nC 10 Mar 11 S.Howard: Renamed met_data to aeromet_data\nC 25 Mar 11 S.Roselle: Replaced I/O API include files with UTILIO_DEFN\nC 20 May 11 D.Schwede: Modified for mosaic\nC 31 Aug 11 J.Bash: Moved shared mosaic variables to MOSAIC_MOD\nC 27 Sep 11 David Wong: replaced all run time dynamic arrays with allocatable\nC arrays to avoid run time memory issue \nC 08 Jun 12 J.Young: remove full character blank padding for GNU Fortran (GCC) 4.1.2\nC 07 Jul 14 B.Hutzell: replaced mechanism include file(s) with fortran module\nC 07 Nov 14 J.Bash: Updated for the ASX_DATA_MOD shared data module. \nC May 16 B. Murphy, H. Pye: Updated treatment of aerosol moments\nC-----------------------------------------------------------------------\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE RXNS_DATA ! chemical mechanism data\n USE CGRID_SPCS ! CGRID mechanism species\n USE UTILIO_DEFN \n USE AERO_DATA ! aero variable data\n USE AEROMET_DATA ! Includes CONST.EXT\n! USE Mosaic_Mod, Only: ADEPVJ ! Shared mosaic variables\n! Use LSM_Mod, Only: N_LUFRAC\n USE ASX_DATA_MOD, Only: Met_Data\n\n IMPLICIT NONE\n\nC Includes:\n\n INCLUDE SUBST_FILES_ID ! file name parameters\n\nC Arguments\n REAL, POINTER :: CGRID( :,:,:,: )\n INTEGER, INTENT( IN ) :: JDATE ! current model date , coded YYYYDDD\n INTEGER, INTENT( IN ) :: JTIME ! current model time , coded HHMMSS\n INTEGER, INTENT( IN ) :: TSTEP ! model time step, coded HHMMSS\n! LOGICAL, INTENT( IN ) :: MOSAIC ! use mosaic option\n REAL, INTENT( OUT ) :: VDEP_AE( :,:,: ) ! surrogate deposition velocities [ m s**-1 ]\n\nC Parameters\n REAL, PARAMETER :: T0 = 288.15 ! [ K ] ! starting standard surface temp.\n REAL, PARAMETER :: TWO3 = 2.0 / 3.0\n INTEGER, PARAMETER :: N_AE_DEP_SPC = 9 ! no. of surrogates for aerosol dry dep velocities\n\nC set up species dimension and indices for deposition velocity internal array VDEP\n INTEGER, PARAMETER :: VDNATK = 1, ! Aitken mode number\n & VDNACC = 2, ! accumulation mode number\n & VDNCOR = 3, ! coarse mode number\n & VDMATK = 4, ! Aitken mode mass\n & VDMACC = 5, ! accumulation mode mass\n & VDMCOR = 6, ! coarse mode mass\n & VDSATK = 7, ! Aitken mode surface area\n & VDSACC = 8, ! accumulation mode surface area\n & VDSCOR = 9 ! coarse mode surface area\n\nC Local variables:\n\n CHARACTER( 16 ) :: VDAE_NAME( N_AE_DEP_SPC )! dep vel surrogate name table\n DATA VDAE_NAME( 1 ) / 'VNUMATKN' /\n DATA VDAE_NAME( 2 ) / 'VNUMACC ' /\n DATA VDAE_NAME( 3 ) / 'VNUMCOR ' /\n DATA VDAE_NAME( 4 ) / 'VMASSI ' /\n DATA VDAE_NAME( 5 ) / 'VMASSJ ' /\n DATA VDAE_NAME( 6 ) / 'VMASSC ' /\n DATA VDAE_NAME( 7 ) / 'VSRFATKN' /\n DATA VDAE_NAME( 8 ) / 'VSRFACC ' /\n DATA VDAE_NAME( 9 ) / 'VSRFCOR ' /\n\n INTEGER, ALLOCATABLE, SAVE :: DEPV_SUR( : ) ! pointer to surrogate\n\nC Meteorological variables\n\n CHARACTER( 16 ), SAVE :: AE_VRSN ! Aerosol version name\n\n INTEGER, SAVE :: NCELLS ! number of cells per layer\n\n REAL, ALLOCATABLE, SAVE :: XXLSG( :,:,: ) ! log of standard deviation\n REAL, ALLOCATABLE, SAVE :: DG( :,:,: ) ! geometric mean diameter\n REAL, ALLOCATABLE, SAVE :: PDENS( :,:,: ) ! particle density \n REAL, ALLOCATABLE, SAVE :: XLM( :,: ) ! mean free path [ m ]\n REAL, ALLOCATABLE, SAVE :: AMU( :,: ) ! dynamic viscosity [ kg m**-1 s**-1 ]\n\n REAL, ALLOCATABLE, SAVE :: VDEP( :,:,: ) ! deposition velocity [ m/s ]\n! REAL, ALLOCATABLE, SAVE :: VDEPJ( :,:,:,: ) ! deposition velocity [ m/s ]\n\n REAL M3_WET, M3SUBT, M3_DRY\n REAL M2_WET, M2_DRY\n\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n CHARACTER( 16 ), SAVE :: PNAME = 'AERO_DEPV'\n CHARACTER( 16 ) :: VNAME ! varable name\n CHARACTER( 96 ) :: XMSG = ' '\n\n INTEGER C, R, V, N, J, IM ! loop counters\n INTEGER SPC, S ! species loop counter\n INTEGER ALLOCSTAT\n \n INTERFACE\n SUBROUTINE GETDEP_V ( XLM, AMU, DG, XXLSG, PDENS,\n & VDEP, N_AE_DEP_SPC ) !VDEPJ, MOSAIC )\n REAL, INTENT( IN ) :: XLM( :,: ) ! atmospheric mean free path [ m ]\n REAL, INTENT( IN ) :: AMU( :,: ) ! atmospheric dynamic viscosity [ kg/(m s) ]\n REAL, INTENT( IN ) :: DG( :,:,: ) ! geometric mean diameter [ m ]\n REAL, INTENT( IN ) :: XXLSG( :,:,: ) ! Standard Deviation\n REAL, INTENT( IN ) :: PDENS( :,:,: ) ! average particle density \n REAL, INTENT( OUT ) :: VDEP( :,:,: ) ! deposition velocity [ m/s ]\n !REAL, INTENT( OUT ) :: VDEPJ( :,:,:,: ) ! deposition velocity [ m/s ] for each land use category\n !LOGICAL, INTENT( IN ) :: MOSAIC\n INTEGER, INTENT( IN ) :: N_AE_DEP_SPC\n END SUBROUTINE GETDEP_V\n END INTERFACE\n \nC-----------------------------------------------------------------------\n\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n\n NCELLS = NCOLS * NROWS\n\nC Allocate arrays\n ALLOCATE ( XLM( NCOLS,NROWS ), AMU( NCOLS,NROWS ), \n & DG( NCOLS,NROWS,N_MODE ), XXLSG( NCOLS,NROWS,N_MODE ),\n & PDENS( NCOLS,NROWS,N_MODE ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating XLM, AMU, DG, XXLSG, or PDENS.'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n \n ALLOCATE ( VDEP( NCOLS,NROWS,N_AE_DEP_SPC ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating VDEP'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n ALLOCATE ( DEPV_SUR( N_AE_DEPV ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating DEPV_SUR'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\nC Set the dep vel surrogate pointers\n DO V = 1, N_AE_DEPV\n N = INDEX1( AE_DEPV( V ), N_AE_DEP_SPC, VDAE_NAME )\n IF ( N .NE. 0 ) THEN\n DEPV_SUR( V ) = N\n ELSE\n XMSG = 'Could not find ' // AE_DEPV( V ) // ' in aerosol' //\n & ' surrogate table. >>> Dep vel set to zero <<< '\n CALL M3WARN( PNAME, JDATE, JTIME, XMSG )\n DEPV_SUR( V ) = 0\n END IF\n END DO\n\n END IF ! FIRSTIME \n\n IF ( N_AE_SPC .LE. 0 ) RETURN\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC Put the grid cell physical data in the block arrays\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n DO R = 1, NROWS\n DO C = 1, NCOLS\n\nC *** Set meteorological data for the grid cell.\n AIRDENS = Met_Data%DENS1( C,R )\n AIRTEMP = Met_Data%TEMP2( C,R )\n AIRPRES = Met_Data%PRSFC( C,R )\n\nC *** extract grid cell concentrations of aero species from CGRID\nC into aerospc_conc in aero_data module\nC Also determines second moment from surface area and adds wet\nC species\n#ifdef sens\n CALL EXTRACT_AERO( CGRID( C,R,1,: ), .TRUE., CGRID( C,R,:,: ), .FALSE. ) \n#else\n CALL EXTRACT_AERO( CGRID( C,R,1,: ), .TRUE. )\n#endif\n\nC *** Calculate geometric mean diameters and standard deviations of the\nC \"wet\" size distribution\n CALL GETPAR( .FALSE. ) \n \nC Calculate mean free path [ m ]:\n XLM( C,R ) = 6.6328E-8 * STDATMPA * AIRTEMP / ( T0 * AIRPRES )\n\nC *** Calculate dynamic viscosity [ kg m-1 s-1 ]:\n AMU( C,R ) = 1.458E-6 * AIRTEMP * SQRT( AIRTEMP )\n & / ( AIRTEMP + 110.4 )\n\n DO IM = 1,N_MODE\nC Save getpar values to arrays\n XXLSG( C,R,IM ) = AEROMODE_LNSG( IM )\n DG( C,R,IM ) = AEROMODE_DIAM( IM )\n PDENS( C,R,IM ) = AEROMODE_DENS( IM )\n\n END DO\n\n END DO ! Column LOOP\n END DO ! Row LOOP\n\nC *** Get dry deposition velocities:\n CALL GETDEP_V ( XLM, AMU, DG, XXLSG, PDENS,\n & VDEP, N_AE_DEP_SPC ) !VDEPJ, MOSAIC )\n\nC Return dry deposition velocities for aerosols (first layer only).\n\n DO R = 1, NROWS\n DO C = 1, NCOLS\n DO V = 1, N_AE_DEPV\n IF ( DEPV_SUR( V ) .GT. 0 ) THEN\n VDEP_AE( V,C,R ) = VDEP( C,R,DEPV_SUR( V ) )\n ELSE\n VDEP_AE( V,C,R ) = 0.0\n END IF\n END DO\n END DO\n END DO\n\n\n RETURN\n END SUBROUTINE AERO_DEPV\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE GETDEP_V ( XLM, AMU, DG, XXLSG, PDENS,\n & VDEP, N_AE_DEP_SPC ) !, VDEPJ, MOSAIC )\n\nC *** Calculate deposition velocity for Aitken, accumulation, and\nC coarse modes.\nC Reference:\nC Binkowski F. S., and U. Shankar, The regional particulate\nC model 1. Model description and preliminary results.\nC J. Geophys. Res., 100, D12, 26191-26209, 1995.\n \nC May 05 D.Schwede: added impaction term to coarse mode dry deposition\nC 25 May 05 J.Pleim: Updated dry dep velocity calculation for aerosols\nC to Venkatram and Pleim (1999)\nC 20 Jul 05 J.Pleim: Changed impaction term using modal integration of\nC Stokes**2 / 400 (Giorgi, 1986, JGR)\nC 14 Apr 08 J.Kelly: Added code to calculate deposition velocity of\nC coarse surface area and to account for variable\nC standard deviation of the coarse mode.\nC 08 Sep 08 P.Bhave: Backward compatibility with AE4 mechanisms\nC standardized names of all coarse-mode variables\nC 29 Aug 18 J.Pleim: Revised formulation of dry deposition impaction term \nC so that it integrates the affect of mode width in the \nC Stokes number via the settling velocity rather than \nC adjusting the impaction term magnitude directly at the\nC end. This change is believed to resolve massive \nC overprediction of deposition velocity for coarse-mode \nC particles. Changed Stokes # to be more representative \nC of vegetated surfaces as suggested by Slinn (1982) and \nC Giorgi (1986), changed impaction term according to Slinn \nC (1982), and added scaling of diffusion layer resistance \nC (Rd) by LAI for vegetated fraction of grid cell. Developed \nC based on analysis by Qian Shu, University of Florida. \nC Feb2022 J.Pleim: Revised aerosol dry deposition model as described in Pleim et al, (2022)\nC Note that this version only works for NLCD40, MODIS20 or USGS24\nC-----------------------------------------------------------------------\n\n USE GRID_CONF, Only: ncols, nrows\n USE AEROMET_DATA ! Includes CONST.EXT\n USE ASX_DATA_MOD, Only: Met_Data, Grid_Data !, Mosaic_Data\n USE AERO_DATA, Only: N_MODE\n Use LSM_Mod, Only: N_LUFRAC\n USE UTILIO_DEFN\n USE RUNTIME_VARS, ONLY: LOGDEV\n IMPLICIT NONE\n CHARACTER( 96 ) :: XMSG = ' '\n\nC *** input arguments\n INTEGER, INTENT( IN ) :: N_AE_DEP_SPC\n\nC atmospheric properties\n REAL, INTENT( IN ) :: XLM( :,: ) ! atmospheric mean free path [ m ]\n REAL, INTENT( IN ) :: AMU( :,: ) ! atmospheric dynamic viscosity [ kg/(m s) ]\n\nC aerosol properties:\n\nC modal diameters: [ m ]\n REAL, INTENT( IN ) :: DG( :,:,: ) \n\nC log of modal geometric standard deviations\n REAL, INTENT( IN ) :: XXLSG( :,:,: ) \n\nC average modal particle densities [ kg m-3 ]\n REAL, INTENT( IN ) :: PDENS( :,:,: ) \n\nC *** output arguments\n\n ! deposition velocity [ m/s ]\n REAL, INTENT( OUT ) :: VDEP( :,:,: ) \n \nC *** array indices hardcoded to match SUBROUTINE AERO_DEPV\n INTEGER, PARAMETER, DIMENSION( 3 ) :: \n & VDN = (/ 1,2,3 /) , \n & VDM = (/ 4,5,6 /) , \n & VDS = (/ 7,8,9 /) \n\nC modal Knudsen number\n REAL KN \n\nC modal particle diffusivities for number, 2nd, and 3rd moment, or mass:\n REAL DCHAT0\n REAL DCHAT2\n REAL DCHAT3\n\nC modal sedimentation velocities for number, 2nd, and 3rd moment, or mass:\n REAL VGHAT0\n REAL VGHAT2\n REAL VGHAT3\n\n INTEGER NCELL, J, C, R, IM\n\n REAL DCONST, DCONST1\n REAL DCONST2, DCONST3\n REAL SC0 ! Schmidt numbers for number\n REAL SC2 ! Schmidt numbers for 2nd moment\n REAL SC3 ! Schmidt numbers for 3rd moment\n REAL STOKE2 ! Stokes numbers for each mode squared\n REAL RD0 ! canopy resistance for number\n REAL RD2 ! canopy resistance for 2nd moment\n REAL RD3 ! canopy resisteance for 3rd moment\n REAL UTSCALE ! scratch function of USTAR and WSTAR\n REAL NU ! kinematic viscosity [ m2 s-1 ]\n REAL STOKEFAC ! scratch function of USTAR, NU, and GRAV\n\n REAL, PARAMETER :: BHAT = 1.246 ! Constant from Cunningham slip correction\n REAL, PARAMETER :: THREEPI = 3.0 * PI\n REAL, PARAMETER :: TWO3 = 2.0 / 3.0\n\nC Scalar variables for VARIABLE standard deviations.\n\n REAL L2SG\n\n REAL E1 ! mode exp( log^2( sigmag )/8 )\n REAL ES04 ! \" **4\n REAL ES08 ! \" **8\n REAL ES12 ! \" **12\n REAL ES16 ! \" **16\n REAL ES20 ! \" **20\n REAL ES28 ! \" **28\n REAL ES32 ! \" **32\n REAL ES36 ! \" **36\n REAL ES48 ! \" **48\n REAL ES64 ! \" **64\n REAL ES128 ! \" **128\n REAL ES160 ! \" **160\n REAL ESM12 ! \" **(-12)\n REAL ESM16 ! \" **(-16)\n REAL ESM20 ! \" **(-20)\n REAL ESM32 ! \" **(-32)\n REAL EIM ! Impaction efficiency\n\n REAL TWOXLM\n\nC Data for new impaction term (Pleim et al 2022)\n\n REAL, PARAMETER :: Fhair1 = 0.008\n REAL, PARAMETER :: Fhair2 = 0.002 ! for grass\n REAL, PARAMETER :: Ahair1 = 0.5e-6 ! micro obstacle size for needleaf and grass\n REAL, PARAMETER :: Ahair2 = 1.0e-6 ! micro obstacle size for other LU\n\n REAL Aleaf,Ahair,Fneedle,fveg,fnv,Ustfac,laicr,BAI,Fhair,Fgrass\n REAL U10,SST,awc,bwc,alfbob,Ewc ! for whitecap effects\n REAL STOKEFAC1,STOKEFAC2,Eb,Eim1,Eim2,Vdv,Vdnv,Stoke\n\nC leaf-scale characteristic length (mm) by LU \nC the 40 categories are for NLCD40 and first 20 are for MODIS20\n REAL, DIMENSION(40) :: Aleaf_lu,BAI_lu\n DATA Aleaf_lu ! mm\n > / 2.0, 10.0, 2.0, 10.0, 5.0,\n > 3.0, 2.0, 3.0, 3.0, 0.5,\n > 3.0, 4.0, 5.0, 1.0, 1.0,\n > 0.5, 1.0, 2.0, 1.0, 1.0,\n > 1.0, 1.0, 5.0, 5.0, 5.0,\n > 5.0, 0.5, 10.0, 2.0, 5.0,\n > 2.0, 2.0, 0.5, 1.0, 1.0,\n > 1.0, 0.5, 4.0, 5.0, 3.0 /\n DATA BAI_lu \n > / 1.0, 1.0, 1.0, 1.0, 1.0,\n > 1.0, 1.0, 1.0, 1.0, 1.0,\n > 1.0, 1.0, 2.0, 1.0, 1.0,\n > 1.0, 1.0, 1.0, 1.0, 1.0,\n > 1.0, 1.0, 1.0, 1.8, 2.0,\n > 2.3, 1.0, 1.0, 1.0, 1.0,\n > 1.0, 1.0, 1.0, 1.0, 1.0,\n > 1.0, 1.0, 1.0, 1.0, 1.0 /\nC For USGS24\n REAL, DIMENSION(24) :: Aleaf_lu24,BAI_lu24\n DATA Aleaf_lu24 ! mm\n > / 5.0, 4.0, 4.0, 4.0, 2.0,\n > 5.0, 0.5, 2.0, 1.0, 3.0,\n > 10.0, 2.0, 10.0, 2.0, 5.0,\n > 1.0, 3.0, 5.0, 0.5, 2.0,\n > 4.0, 3.0, 1.0, 1.0 /\n DATA BAI_lu24 \n > / 2.0, 1.0, 1.0, 1.0, 1.0,\n > 1.0, 1.0, 1.0, 1.0, 1.0,\n > 1.0, 1.0, 1.0, 1.0, 1.0,\n > 1.0, 1.0, 1.0, 1.0, 1.0,\n > 1.0, 1.0, 1.0, 1.0 /\nC-----------------------------------------------------------------------\n\n VDEP = 0.0 ! array assignment\n\n DO IM = 1,N_MODE\n DO R = 1,NROWS\n DO C = 1,NCOLS\nC *** Calculate Knudsen numbers\n TWOXLM = XLM( C,R ) + XLM( C,R )\n KN = TWOXLM / DG( C,R,IM )\n\nC *** Calculate functions of variable standard deviation.\n\n L2SG = XXLSG( C,R,IM ) ** 2\n\n E1 = EXP( 0.125 * L2SG )\n ES04 = E1 ** 4\n ES08 = ES04 * ES04\n ES12 = ES04 * ES08\n ES16 = ES08 * ES08\n ES20 = ES16 * ES04\n ES28 = ES20 * ES08\n ES32 = ES16 * ES16\n ES36 = ES16 * ES20\n ES48 = ES36 * ES12\n ES64 = ES32 * ES32\n ES128= ES64 * ES64\n ES160= ES128* ES32\n\nC *** calculate inverses:\n\n ESM12 = 1.0 / ES12\n ESM16 = 1.0 / ES16\n ESM20 = 1.0 / ES20\n ESM32 = 1.0 / ES32\n\n DCONST = BOLTZMANN * Met_Data%TEMP2( C,R ) / ( THREEPI * AMU( C,R ) )\n DCONST1 = DCONST / DG( C,R,IM )\n\n DCONST2 = GRAV / ( 18.0 * AMU( C,R ) )\n DCONST3 = DCONST2 * PDENS( C,R,IM ) * DG( C,R,IM ) * DG( C,R,IM )\nC Calculate characteristic parameters\n DCHAT0 = DCONST1 * ( ES04 + BHAT * KN * ES16 )\n DCHAT2 = DCONST1 * ( ESM12 + BHAT * KN * ESM16 )\n DCHAT3 = DCONST1 * ( ESM20 + BHAT * KN * ESM32 )\n VGHAT0 = DCONST3 * ( ES16 + BHAT * KN * ES04 )\n VGHAT2 = DCONST3 * ( ES48 + BHAT * KN * ES20 )\n VGHAT3 = DCONST3 * ( ES64 + BHAT * KN * ES28 )\n\n! Set scale parameters for 2-term impaction by LU - For USGS24\n Aleaf = 0.0\n BAI = 0.0\n if (n_lufrac .eq. 24) Then\n Do j = 1, n_lufrac\n If ( GRID_DATA%LUFRAC( c,r,j ) .Gt. 0.0 ) Then\n Aleaf = Aleaf + Aleaf_lu24(j) * GRID_DATA%LUFRAC( c,r,j )\n BAI = BAI + BAI_lu24(j) * GRID_DATA%LUFRAC( c,r,j )\n endif\n enddo\n else\n! Set scale parameters for 2-term impaction by LU - For NLCD40 or MODIS20\n Do j = 1, n_lufrac\n If ( GRID_DATA%LUFRAC( c,r,j ) .Gt. 0.0 ) Then\n Aleaf = Aleaf + Aleaf_lu(j) * GRID_DATA%LUFRAC( c,r,j )\n BAI = BAI + BAI_lu(j) * GRID_DATA%LUFRAC( c,r,j )\n endif\n enddo\n endif\n\n Aleaf = Aleaf * 1.e-3 ! mm to m\n If (n_lufrac .eq. 40) Then\n Fgrass = GRID_DATA%LUFRAC( c,r,10 ) !Modis grass\n & + GRID_DATA%LUFRAC( c,r,33 ) !NLCD grass\n Fneedle = GRID_DATA%LUFRAC( c,r,1 ) !Modis Evergreen Needleleaf\n & + GRID_DATA%LUFRAC( c,r,3 ) !Modis Deciduous Needleleaf\n & + GRID_DATA%LUFRAC( c,r,29 ) !NLCD Evergreen Forest\n & + Fgrass\n else If(n_lufrac .eq. 20) Then\n Fgrass = GRID_DATA%LUFRAC( c,r,10 ) !Modis grass\n Fneedle = GRID_DATA%LUFRAC( c,r,1 ) !Modis Evergreen Needleleaf\n & + GRID_DATA%LUFRAC( c,r,3 ) !Modis Deciduous Needleleaf\n & + Fgrass\n else if(n_lufrac .eq. 24) Then\n Fgrass = GRID_DATA%LUFRAC( c,r,7 ) !USGS grass\n & + 0.5 * GRID_DATA%LUFRAC( c,r,5 ) !USGS Grassland/Cropland Mosaic\n Fneedle = GRID_DATA%LUFRAC( c,r,14 ) !USGS Evergreen Needleleaf\n & + GRID_DATA%LUFRAC( c,r,12 ) !USGS Deciduous Needleleaf\n & + Fgrass\n else\n XMSG = 'LU scheme not supported in new aero_depv'\n CALL M3EXIT( 'aero_depv', 0, 0, XMSG, XSTAT1 )\n\n endif\n\n Ahair = Ahair2 * (1-Fneedle) + Ahair1 * Fneedle\n Fhair = Fhair1 * (1-Fgrass) + Fhair2 * Fgrass\n! Different formulations for vegetated and non-vegetated parts\n fveg = Met_Data%VEG(C,R)\n IF ( NINT(GRID_DATA%LWMASK( c,r )).eq.0) fveg = 0.0\n LAIcr = max(Met_Data%LAI(C,R),1.0)\n fnv = 1.-fveg\n! if(c.eq.1.and.r.eq.1) Write(Logdev,*) \n! > ' Aleaf,Ahair,fveg,fnv,fneedle=',Aleaf,Ahair,fveg,fnv,fneedle\n\n! For water include effects of whitecaps - Hummelshoj et al. (1992)\n IF ( NINT(GRID_DATA%LWMASK( c,r )) .EQ. 0 .AND. MET_DATA%SEAICE(c,r) \n & .LE. 0.5 ) Then\n U10 = Met_Data%WSPD10(C,R)\n SST = Met_Data%TSEASFC(C,R) - 273.15 ! C\n awc = 8.46e-5 + 1.63e-6 * SST - 3.35e-8 * SST**2\n bwc = 3.354 - 0.062 * SST\n alfbob = awc*(u10+bwc)**2 ! Albert 2016 with SST deg-C\n Ewc = alfbob*Met_Data%USTAR( C,R )/u10 \n ENDIF\nC now calculate the deposition velocities\n\n NU = AMU( C,R ) / Met_Data%DENS1( C,R )\n USTFAC = Met_Data%USTAR( C,R ) ** 2 / ( GRAV * NU )\n\n STOKEFAC1 = Met_Data%USTAR( C,R ) / (GRAV * Aleaf)\n STOKEFAC2 = Met_Data%USTAR( C,R ) / (GRAV * Ahair)\nC first do 0th moment for the deposition of number\n SC0 = NU / DCHAT0\n IF ( NINT(GRID_DATA%LWMASK( c,r )) .EQ. 0 .AND. MET_DATA%SEAICE(c,r) \n & .LE. 0.5 .AND. SST .GT. -31.) then\n Eb = (1-alfbob) * SC0 ** ( -TWO3 )/3. + Ewc\n ELSE\n Eb = SC0 ** ( -TWO3 )/3.\n ENDIF\n! Vegetated land\n Vdv = 0.0\n IF ( ( NINT(GRID_DATA%LWMASK( c,r )) .NE. 0 ) .AND. ( fveg.GT. 0.001 ) ) THEN \n STOKE2 = (STOKEFAC1 * VGHAT0)**2\n EIM1 = (1-Fhair)*STOKE2 / (1.0 + STOKE2)\n STOKE2 = (STOKEFAC2 * VGHAT0)**2\n EIM2 = Fhair*STOKE2 / (1.0 + STOKE2)\n EIM = EIM1 + EIM2\n RD0 = 1.0 / ( Met_Data%USTAR( C,R )*laicr * ( Eb + EIM ) )\n\n Vdv = VGHAT0 / ( 1.0 - EXP( -VGHAT0 * ( Met_Data%RA( C,R ) + RD0 ) ) )\n endif\n! Non-vege part\n Vdnv=0.0\n if(fnv.gt. 0.001) Then\n Stoke = USTFAC * VGHAT0\n Eim = 10.**(-3./Stoke)\n RD0 = 1.0 / ( Met_Data%USTAR( C,R )*BAI*(Eb + EIM ) )\n Vdnv = VGHAT0 / ( 1.0 - EXP( -VGHAT0 * ( Met_Data%RA( C,R ) + RD0 ) ) )\n endif\n VDEP( C,R,VDN( IM ) ) = fveg*Vdv + fnv*Vdnv\n\nC now do 2nd moment for the deposition of surface area\n SC2 = NU / DCHAT2\n IF ( NINT(GRID_DATA%LWMASK( c,r )) .EQ. 0 .AND. MET_DATA%SEAICE(c,r) \n & .LE. 0.5 .AND. SST .GT. -31.) then\n Eb = (1-alfbob) * SC2 ** ( -TWO3 )/3. + Ewc\n ELSE\n Eb = SC2 ** ( -TWO3 )/3.\n ENDIF\n! Vegetated land\n Vdv = 0.0\n IF ( ( NINT(GRID_DATA%LWMASK( c,r )) .NE. 0 ) .AND. ( fveg.GT. 0.0 ) ) THEN \n STOKE2 = (STOKEFAC1 * VGHAT2)**2\n EIM1 = (1-Fhair)*STOKE2 / (1.0 + STOKE2)\n STOKE2 = (STOKEFAC2 * VGHAT2)**2\n EIM2 = Fhair*STOKE2 / (1.0 + STOKE2)\n EIM = EIM1 + EIM2\n RD2 = 1.0 / ( Met_Data%USTAR( C,R )*laicr * ( Eb + EIM ) )\n Vdv = VGHAT2\n & / ( 1.0 - EXP( -VGHAT2 * ( Met_Data%RA( C,R ) + RD2 ) ) )\n endif\n ! Non-vege part\n Vdnv=0.0\n if(fnv.gt. 0.001) Then\n Stoke = USTFAC * VGHAT2\n Eim = 10.**(-3./Stoke)\n RD2 = 1.0 / ( Met_Data%USTAR( C,R )*BAI*(Eb + EIM ) )\n Vdnv = VGHAT2 / ( 1.0 - EXP( -VGHAT2 * ( Met_Data%RA( C,R ) + RD2 ) ) )\n endif\n VDEP( C,R,VDS( IM ) ) = fveg*Vdv + fnv*Vdnv\nC now do 3rd moment for the deposition of mass\n SC3 = NU / DCHAT3\n IF ( NINT(GRID_DATA%LWMASK( c,r )) .EQ. 0 .AND. MET_DATA%SEAICE(c,r) \n & .LE. 0.5 .AND. SST .GT. -31.) then\n Eb = (1-alfbob) * SC3 ** ( -TWO3 )/3. + Ewc\n ELSE\n Eb = SC3 ** ( -TWO3 )/3.\n ENDIF\n! Vegetated land\n Vdv = 0.0\n IF ( ( NINT(GRID_DATA%LWMASK( c,r )) .NE. 0 ) .AND. ( fveg.GT. 0.0 ) ) THEN \n STOKE2 = (STOKEFAC1 * VGHAT3)**2\n EIM1 = (1-Fhair)*STOKE2 / (1.0 + STOKE2)\n STOKE2 = (STOKEFAC2 * VGHAT3)**2\n EIM2 = Fhair*STOKE2 / (1.0 + STOKE2)\n EIM = EIM1 + EIM2\n RD3 = 1.0 / ( Met_Data%USTAR( C,R )*laicr * ( Eb + EIM ) )\n Vdv = VGHAT3\n & / ( 1.0 - EXP( -VGHAT3 * ( Met_Data%RA( C,R ) + RD3 ) ) )\n endif\n! Non-vege part\n Vdnv=0.0\n if(fnv.gt. 0.001) Then\n Stoke = USTFAC * VGHAT3\n Eim = 10.**(-3./Stoke)\n RD3 = 1.0 / ( Met_Data%USTAR( C,R )*BAI*(Eb + EIM ) )\n Vdnv = VGHAT3\n & / ( 1.0 - EXP( -VGHAT3 * ( Met_Data%RA( C,R ) + RD3 ) ) )\n endif\n VDEP( C,R,VDM( IM ) ) = fveg*Vdv + fnv*Vdnv\n END DO ! end loop on C\n END DO ! end loop on R\n END DO ! aerosol mode\n\n RETURN\n END SUBROUTINE GETDEP_V\n" }, { "path": "CCTM/src/vdiff/acm2_m3dry/aero_sedv.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n subroutine aero_sedv ( col, row, cgrd, vsed_ae )\n\nC-----------------------------------------------------------------------\nC Get accum. and coarse mode grav. settling vel\nC used Binkowski`s aerosol dry deposition routine as a guide\nC 08 Feb 13 J.Young: initial\nC 20 Jun 14 J.Young: restructure\nC 22 Oct 14 J.Bash: replaced P0 with STDATMPA from CONST.EXT and shared \nC variables in the asx_data_mod\nC May 2015 B. Murphy, H. Pye: Updated treatment of aerosol moments\nC-----------------------------------------------------------------------\n\n use grid_conf ! horizontal & vertical domain specifications\n use cgrid_spcs ! CGRID mechanism species\n use utilio_defn \n use asx_data_mod, Only: Met_Data\n use aero_data ! aero variable data\n use aeromet_data ! Includes CONST.EXT\n\n implicit none\n\nC Includes:\n\nC Arguments\n integer, intent( in ) :: col, row\n real, intent( in ) :: cgrd( :,: ) ! cgrid subsection (layers,species)\n real, intent( out ) :: vsed_ae( :,: ) ! settling velocities [ m/s ]\n\nC Parameters\n real, parameter :: t0 = 288.15 ! [ K ] ! starting standard surface temp.\n real, parameter :: two3 = 2.0 / 3.0\n integer, parameter :: n_ae_sed_spc = 6 ! no. of surrogates for aero settling velocities\n\nC set up species indices for settling velocity internal array vsed\n integer, parameter :: vgnacc = 1, ! accumulation mode number\n & vgncor = 2, ! coarse mode number\n & vgsacc = 3, ! accumulation mode surface area\n & vgscor = 4, ! coarse mode surface area\n & vgmacc = 5, ! accumulation mode mass\n & vgmcor = 6 ! coarse mode mass\n\nC Local variables:\n\nC follow the Namelist dep vel surrogate name table\n character( 16 ) :: vgae_name( n_ae_sed_spc ) = ! grav. settling vel surrogate table\n & (/ 'VNUMACC',\n & 'VNUMCOR',\n & 'VSRFACC',\n & 'VSRFCOR',\n & 'VMASSJ ',\n & 'VMASSC ' /)\n\n integer, allocatable, save :: sedi_sur( : ) ! pointer to surrogate\n\n real, allocatable, save :: xxlsgac( : ) ! log of stnd dev\n real, allocatable, save :: xxlsgco( : )\n real, allocatable, save :: dgacc ( : ) ! geometric mean diameter\n real, allocatable, save :: dgcor ( : )\n real, allocatable, save :: pdensac( : ) ! particle density\n real, allocatable, save :: pdensco( : )\n\n real, allocatable, save :: xlm ( : ) ! mean free path [ m ]\n real, allocatable, save :: amu ( : ) ! dynamic viscosity [ kg/m/s ]\n\n real, allocatable, save :: vsed ( :,: ) ! grav settling velocity [ m/s ]\n\n real m2_wet, m2_dry\n real m3_wet, m3subt, m3_dry\n\n logical, save :: firstime = .true.\n character( 16 ), save :: pname = 'AERO_SEDI'\n character( 16 ) :: vname ! variable name\n character( 96 ) :: xmsg = ' '\n\n integer l, v, n, j ! loop counters\n integer spc, s ! species loop counter\n integer astat\n\n integer :: jdate = 0, jtime = 0\n\n interface\n subroutine get_sedv ( xlm, amu,\n & dgacc, dgcor,\n & xxlsgac, xxlsgco,\n & pdensac, pdensco,\n & vsed )\n real, intent( in ) :: xlm ( : ) ! atmos mean free path [ m ]\n real, intent( in ) :: amu ( : ) ! atmos dynamic viscosity [ kg/(m s) ]\n real, intent( in ) :: dgacc ( : ) ! accum mode geom mean diameter [ m ]\n real, intent( in ) :: dgcor ( : ) ! coarse mode geom mean diameter [ m ]\n real, intent( in ) :: xxlsgac( : ) ! accum mode log of stnd dev\n real, intent( in ) :: xxlsgco( : ) ! coarse mode\n real, intent( in ) :: pdensac( : ) ! avg particle density in accum mode\n real, intent( in ) :: pdensco( : ) ! avg particle density in coarse mode\n real, intent( out ) :: vsed ( :,: ) ! settling velocity [ m/s ]\n end subroutine get_sedv\n end interface\n\nc-----------------------------------------------------------------------\n\n if ( firstime ) then\n firstime = .false.\n\nC Allocate arrays\n allocate( xxlsgac( nlays ),\n & xxlsgco( nlays ),\n & dgacc ( nlays ),\n & dgcor ( nlays ),\n & pdensac( nlays ),\n & pdensco( nlays ),\n & xlm ( nlays ),\n & amu ( nlays ), stat = astat )\n if ( astat .ne. 0 ) then\n xmsg = 'Failure allocating'\n & // ' xxlsgac, xxlsgco,'\n & // ' dgacc, dgcor,'\n & // ' pdensac, pdensco,'\n & // ' xlm, or amu'\n call m3exit( pname, jdate, jtime, xmsg, xstat1 )\n end if\n\n allocate( vsed( nlays,n_ae_spc), stat = astat )\n if ( astat .ne. 0 ) then\n xmsg = 'Failure allocating vsed'\n call m3exit( pname, jdate, jtime, xmsg, xstat1 )\n end if\n\n allocate( sedi_sur( n_ae_spc ), stat = astat )\n if ( astat .ne. 0 ) then\n xmsg = 'Failure allocating sedi_sur'\n call m3exit( pname, jdate, jtime, xmsg, xstat1 )\n end if\n\nC Set the settling vel surrogate pointers according to the depv table\n j = 0\n do v = 1, n_ae_depv ! assume n_ae_spc = n_ae_depv\n n = index1( ae_depv( v ), n_ae_sed_spc, vgae_name )\n if ( n .ne. 0 ) then\n j = j + 1\n sedi_sur( v ) = n\n else\n write( logdev,* ) ' surrogate ', trim( ae_depv( v ) ),\n & ' not used for', v, trim( ae_spc( v ) )\n sedi_sur( v ) = 0\n end if\n end do\n n = j\n\n write( logdev,* ) n, ' Aerosol species with a grav. settling vel'\n do j = 1, n_ae_spc\n n = sedi_sur( j )\n if ( n .ne. 0 ) write( logdev,'( i3, 2x, a9, i3, 2x, a )' )\n & j, ae_spc( j ), n, trim( ae_depv( j ) )\n end do\n\n end if ! firstime \n\n do l = 1, nlays\n\nC Set meteorological data for the grid cell.\n airtemp = Met_Data%ta ( col,row,l )\n airpres = Met_Data%pres( col,row,l )\n\nC extract grid cell concentrations of aero species from CGRID\nC into aerospc_conc in aero_data module\nC Also converts dry surface area to wet 2nd moment\n#ifdef sens\n call extract_aero( cgrd( l,: ), .true., cgrd( :,: ), .false. )\n#else\n call extract_aero( cgrd( l,: ), .true. ) ! set minimum floor\n#endif\n\nC Get the geometric mean diameters and standard deviations of the\nC \"wet\" size distribution\n call getpar( .false. ) \nC | do not fix stnd dev`s to existing value\n\nC Save getpar values to arrays\n xxlsgac( l ) = aeromode_lnsg( 2 )\n xxlsgco( l ) = aeromode_lnsg( 3 )\n\n dgacc( l ) = aeromode_diam( 2 )\n dgcor( l ) = aeromode_diam( 3 )\n\n pdensac( l ) = aeromode_dens( 2 )\n pdensco( l ) = aeromode_dens( 3 )\n \nC Calculate mean free path [ m ]:\n xlm( l ) = 6.6328e-8 * STDATMPA * airtemp / ( t0 * airpres )\n\nC Calculate dynamic viscosity [ kg/m/s ]:\n amu( l ) = 1.458e-6 * airtemp * sqrt( airtemp ) / ( airtemp + 110.4 )\n\n end do ! layer loop\n\nC get settling velocities:\n call get_sedv ( xlm, amu,\n & dgacc, dgcor,\n & xxlsgac, xxlsgco,\n & pdensac, pdensco,\n & vsed )\n\nC Return sedimentation velocities for aerosols and cfl-safe iteration count\n\nC \"Stores read an entire cache line, modify the target, then write back the\nC entire line. Thus, non-consecutive stores are worse than non-consecutive\nC loads.\"\n\n do l = 1, nlays\n do v = 1, n_ae_spc\n if ( sedi_sur( v ) .gt. 0 ) then\n vsed_ae( v,l ) = vsed( l,sedi_sur( v ) )\n else\n vsed_ae( v,l ) = 0.0\n end if\n end do\n end do\n\n return\n end subroutine aero_sedv\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n subroutine get_sedv ( xlm, amu,\n & dgacc, dgcor,\n & xxlsgac, xxlsgco,\n & pdensac, pdensco,\n & vsed )\n\nC Calculate settling velocity for Aitken, accumulation, and coarse modes.\nC-----------------------------------------------------------------------\n\n use asx_data_mod, Only: Met_Data\n use aeromet_data ! Includes CONST.EXT\n\n implicit none\n\nC *** arguments\n\n real, intent( in ) :: xlm ( : ) ! atmospheric mean free path [m]\n real, intent( in ) :: amu ( : ) ! atmospheric dynamic viscosity [kg/(m s)]\n real, intent( in ) :: dgacc ( : ) ! accum mode geom mean diameter [m]\n real, intent( in ) :: dgcor ( : ) ! coarse mode geom mean diameter [m]\n real, intent( in ) :: xxlsgac( : ) ! accum mode log of modal geom stnd dev`s\n real, intent( in ) :: xxlsgco( : ) ! coarse mode log of modal geom stnd dev`s\n real, intent( in ) :: pdensac( : ) ! avg particle dens in accum mode [kg/m**3]\n real, intent( in ) :: pdensco( : ) ! avg particle dens in coarse mode [kg/m**3]\n real, intent( out ) :: vsed ( :,: ) ! grav settling velocity [ m/s ]\n\nC *** array indices hardcoded to match SUBROUTINE aero_sedi\n integer, parameter :: vgnacc = 1, ! accumulation mode number\n & vgncor = 2, ! coarse mode number\n & vgsacc = 3, ! accumulation mode surface area\n & vgscor = 4, ! coarse mode surface area\n & vgmacc = 5, ! accumulation mode mass\n & vgmcor = 6 ! coarse mode mass\n\nC modal Knudsen numbers X bhat\n real bknacc ! accumulation mode \n real bkncor ! coarse mode\n\nC modal sedimentation velocities for 0th (number), 2nd (srf area), and 3rd (mass) moments\n real vghat0a, vghat0c\n real vghat2a, vghat2c\n real vghat3a, vghat3c\n\n integer l\n\n real dconst2, dconst3a, dconst3c\n real bxlm\n\n ! real, parameter :: bhat = 1.246 ! Constant from Cunningham slip correction\n real, parameter :: bhat = 2.492 ! 2 X Constant from Cunningham slip correction\n\nC Scalar variables for VARIABLE standard deviations.\n\n real l2sgac, l2sgco ! log^2( sigmag )\n\n real esac01 ! accumu mode \" ** 4\n real esco01 ! coarse \"\n\n real esac02 ! accumu mode \" ** 8\n real esco02 ! coarse \"\n\n real esac04 ! accumu mode \" ** 16\n real esco04 ! coarse \"\n\n real esac05 ! accumu mode \" ** 20\n real esco05 ! coarse \"\n\n real esac07 ! accumu mode \" ** 28\n real esco07 ! coarse \"\n\n real esac12 ! accumu mode \" ** 48 \n real esco12 ! coarse \" \n\n real esac16 ! accumu mode \" ** 64\n real esco16 ! coarse \"\n\nC-----------------------------------------------------------------------\n\n do l = 1, size( met_data%ta, 3 )\n\nC Calculate Knudsen numbers * bhat\n bxlm = bhat * xlm( l )\n bknacc = bxlm / dgacc( l )\n bkncor = bxlm / dgcor( l )\n\nC Calculate functions of variable standard deviation.\n l2sgac = xxlsgac( l ) * xxlsgac( l )\n l2sgco = xxlsgco( l ) * xxlsgco( l )\n\n esac01 = exp( 0.5 * l2sgac )\n esco01 = exp( 0.5 * l2sgco )\n\n esac02 = esac01 * esac01\n esco02 = esco01 * esco01\n\n esac04 = esac02 * esac02\n esco04 = esco02 * esco02\n\n esac05 = esac04 * esac01\n esco05 = esco04 * esco01\n\n esac07 = esac05 * esac02\n esco07 = esco05 * esco02\n\n esac12 = esac07 * esac05\n esco12 = esco07 * esco05\n\n esac16 = esac12 * esac04\n esco16 = esco12 * esco04\n\n dconst2 = grav / ( 18.0 * amu( l ) )\n dconst3a = dconst2 * pdensac( l ) * dgacc( l ) * dgacc( l )\n dconst3c = dconst2 * pdensco( l ) * dgcor( l ) * dgcor( l )\n\nc acc mode\n vghat0a = dconst3a * ( esac04 + bknacc * esac01 )\n vghat2a = dconst3a * ( esac12 + bknacc * esac05 )\n vghat3a = dconst3a * ( esac16 + bknacc * esac07 )\n\nc coarse mode\n vghat0c = dconst3c * ( esco04 + bkncor * esco01 )\n vghat2c = dconst3c * ( esco12 + bkncor * esco05 )\n vghat3c = dconst3c * ( esco16 + bkncor * esco07 )\n\nC settling velocities\n\nC vsed of 0th moment for the number \n vsed( l,vgnacc ) = vghat0a ! accum mode\n vsed( l,vgncor ) = vghat0c ! coarse mode\n\nc vsed of 2nd moment for the surface area \n vsed( l,vgsacc ) = vghat2a ! accum mode\n vsed( l,vgscor ) = vghat2c ! coarse mode\n\nc vsed of 3rd moment for the mass \n vsed( l,vgmacc ) = vghat3a ! accum mode\n vsed( l,vgmcor ) = vghat3c ! coarse mode\n\n end do ! end loop on l\n\n return\n end subroutine get_sedv\n" }, { "path": "CCTM/src/vdiff/acm2_m3dry/conv_cgrid.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE CONV_CGRID ( CGRID, JDATE, JTIME, CNGRD )\n\nC-----------------------------------------------------------------------\nC Function:\nC Convert decoupled aerosol species to molar units (ppm and m**2/mol)\nC and reorder dimensions\n\nC Revision History:\nC Written by: J.Young 21 Aug 03\nC J.Young 31 Jan 05: dyn alloc - establish both horizontal & vertical\nC domain specifications in one module\nC 16 Feb 11 S.Roselle: replaced I/O API include files with UTILIO_DEFN\nC 01 Feb 19 D.Wong: Implemented centralized I/O approach, removed all\nC MY_N clauses\nC-----------------------------------------------------------------------\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE CGRID_SPCS ! CGRID mechanism species\n USE UTILIO_DEFN\n USE VDIFF_MAP\n use CENTRALIZED_IO_MODULE, only : interpolate_var\n \n#ifdef isam\n USE SA_DEFN\n#endif\n\n IMPLICIT NONE\n\n INCLUDE SUBST_CONST ! constants\n INCLUDE SUBST_FILES_ID ! file name parameters\n\nC Arguments:\n\n REAL, POINTER :: CGRID( :,:,:,: ) ! concentrations\n INTEGER, INTENT( IN ) :: JDATE ! current model date, coded YYYYDDD\n INTEGER, INTENT( IN ) :: JTIME ! current model time, coded HHMMSS\n REAL, INTENT( INOUT ) :: CNGRD( :,:,:,: ) ! cgrid replacement\n#ifdef isam\n INTEGER IBGN, JSPCTAG\n LOGICAL, SAVE :: ISAM_FIRSTIME = .TRUE.\n LOGICAL, ALLOCATABLE, SAVE :: CONVERT_TAG_SPC ( : )\n REAL, ALLOCATABLE, SAVE :: CFAC_TAG_SPC ( : )\n#endif\n\nC Parameters:\n REAL, PARAMETER :: MWAIR_SI = MWAIR / 1.0E+03 ! kg mol-1\n\nC Local Variables:\n\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n CHARACTER( 16 ), SAVE :: PNAME = 'CONV_CGRID'\n CHARACTER( 96 ) :: XMSG = ' '\n\n REAL DENS( NCOLS,NROWS,NLAYS ) ! air density (kg m-3)\n REAL FAC1( NCOLS,NROWS,NLAYS ) ! conversion factor\n\n INTEGER NSPCS, OFF\n INTEGER C, R, L, S, V, I ! loop induction variables\n INTEGER IOS\n\n REAL CONV ! temp var\n\nC-----------------------------------------------------------------------\n\n call interpolate_var ('DENS', jdate, jtime, DENS) ! kg m-3\n FAC1 = MWAIR_SI / DENS ! m3 mol-1\n\nC Convert non-molar mixing ratio species and re-order CGRID\n DO L = 1, NLAYS\n\n DO I = 1,N_CGRID_SPC\n ! Gas - no conversion\n IF ( CGRID_MASK_GAS( I ) .OR.\n & CGRID_MASK_NR( I ) .OR.\n & CGRID_MASK_TRAC( I ) )\n & CNGRD( I,L,:,: ) = CGRID( :,:,L,I )\n\n ! Aerosol Mass: ug/m3 -> ppmv\n IF ( CGRID_MASK_AERO( I ) .AND.\n & .NOT. CGRID_MASK_NUM( I ) .AND.\n & .NOT. CGRID_MASK_SRF( I ) )\n & CNGRD( I,L,:,: ) = CGRID( :,:,L,I ) \n & * FAC1( :,:,L ) / CGRID_MW( I )\n\n ! Aerosol Number: N m-3 -> N mol-1\n ! Aerosol Surface Area: m2/m3 -> m2 / mol air\n IF ( CGRID_MASK_NUM( I ) .OR.\n & CGRID_MASK_SRF( I ) )\n & CNGRD( I,L,:,: ) = CGRID( :,:,L,I ) * FAC1( :,:,L )\n END DO\n \n END DO\n\n#ifdef isam\n ! Convert PM Mass Only\n IF( ISAM_FIRSTIME )THEN\n ALLOCATE( CONVERT_TAG_SPC( N_SPCTAG ) )\n ALLOCATE( CFAC_TAG_SPC ( N_SPCTAG ) )\n SET_CONV_SPCTAG: DO JSPCTAG = 1, N_SPCTAG\n IBGN = INDEX( VNAM_SPCTAG( JSPCTAG ), '_', BACK = .TRUE. ) - 1\n S = INDEX1( VNAM_SPCTAG( JSPCTAG )( 1:IBGN ), N_AE_SPC, AE_SPC )\n IF ( S .GT. 0 ) THEN\n CFAC_TAG_SPC( JSPCTAG ) = AE_MOLWT( S )\n CONVERT_TAG_SPC( JSPCTAG ) = .TRUE. \n ELSE\n CFAC_TAG_SPC( JSPCTAG ) = 1.0\n CONVERT_TAG_SPC( JSPCTAG ) = .FALSE.\n END IF\n END DO SET_CONV_SPCTAG\n ISAM_FIRSTIME = .FALSE.\n END IF\n CONV_SPCTAG: DO JSPCTAG = 1, N_SPCTAG\n IF ( CONVERT_TAG_SPC( JSPCTAG ) ) THEN\n DO L = 1, NLAYS\n ISAM( :,:,L,S_SPCTAG( JSPCTAG ),T_SPCTAG( JSPCTAG ) ) =\n & ISAM( :,:,L,S_SPCTAG( JSPCTAG ),T_SPCTAG( JSPCTAG ) )\n & * FAC1( :,:,L ) / CFAC_TAG_SPC( JSPCTAG ) \n END DO \n END IF\n END DO CONV_SPCTAG\n#endif\n\n RETURN\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n ENTRY REV_CGRID ( CNGRD, JDATE, JTIME, CGRID )\n\nC Revert non-molar mixing ratio species and re-order CGRID\n\n call interpolate_var ('DENS', jdate, jtime, DENS) ! kg m-3\n FAC1 = DENS / MWAIR_SI ! mol m-3\n\n DO L = 1, NLAYS\n DO I = 1,N_CGRID_SPC\n ! Gas - no conversion\n IF ( CGRID_MASK_GAS( I ) .OR.\n & CGRID_MASK_NR( I ) .OR.\n & CGRID_MASK_TRAC( I ) )\n & CGRID( :,:,L,I ) = CNGRD( I,L,:,: )\n\n ! Aerosol Mass: ppmv -> ug m-3\n IF ( CGRID_MASK_AERO( I ) .AND.\n & .NOT. CGRID_MASK_NUM( I ) .AND.\n & .NOT. CGRID_MASK_SRF( I ) )\n & CGRID( :,:,L,I ) = CNGRD( I,L,:,: ) \n & * FAC1( :,:,L ) * CGRID_MW( I )\n\n ! Aerosol Number: N mol-1 -> N m-3\n ! Aerosol Surface Area: m2 mol-1 -> m2 m-3\n IF ( CGRID_MASK_NUM( I ) .OR.\n & CGRID_MASK_SRF( I ) )\n & CGRID( :,:,L,I ) = CNGRD( I,L,:,: ) * FAC1( :,:,L )\n END DO\n END DO\n#ifdef isam\nCkrt....JSPCTAG loop on PM mass only.....\n REV_SPCTAG: DO JSPCTAG = 1, N_SPCTAG\n IF ( CONVERT_TAG_SPC( JSPCTAG ) ) THEN\n DO L = 1, NLAYS\n ISAM( :,:,L,S_SPCTAG( JSPCTAG ),T_SPCTAG( JSPCTAG ) ) =\n & ISAM( :,:,L,S_SPCTAG( JSPCTAG ),T_SPCTAG( JSPCTAG ) )\n & * FAC1( :,:,L ) * CFAC_TAG_SPC( JSPCTAG ) \n END DO\n END IF\n END DO REV_SPCTAG\n#endif\n\n RETURN\n END\n\n" }, { "path": "CCTM/src/vdiff/acm2_m3dry/eddyx.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE EDDYX ( EDDYV )\n\nC--------------------------------------------------------------------------\nC---- Eddy diffusivity (Kz) computed according to 2 different models:\nC---- 1- Boundary Layer scaling based on Hostlag and Boville (1993)\nC---- Kz = k ust z(1-z/h)2 / phih\nC 2- Local scaling based on local Richardson # and vertical shear\nC similar to Liu and Carroll (1996)\nC\nC Revision History:\nC JEP 4/00 - CCTM implimentation from MM5\nC JEP 4/06 - Updated for ACM2\nC TLO 10/09 - Allow read of C-staggered UWINDC and VWINDC from\nC MET_DOT_3D, and corrected algorithm that computes\nC component-wise shear so that B-staggered winds\nC will be properly used. Removed map-scale factor\nC from wind shear calculation.\nC SJR 02/11 - replaced I/O API include files with UTILIO_DEFN\nC YOJ 05/13 - access met data from VDIFF_MET module\nC JOB 11/14 - Updated for the ASX_DATA_MOD shared data module which \nC included variables in the VDIFF_MET module.\nC HF 07/15 - Included pleim5 formulation. \nC David Wong 02/19 - removed all MY_N clauses\nC--------------------------------------------------------------------------\n\n USE GRID_CONF ! horizontal domain specifications\n USE ASX_DATA_MOD ! Includes CONST\n USE UTILIO_DEFN\n\n IMPLICIT NONE\n\nC Includes:\n\nC Arguments:\n REAL, INTENT( OUT ) :: EDDYV ( :,:,: ) ! eddy diffusivity (m**2/s)\n\nC Parameters:\n\n REAL, PARAMETER :: RLAM = 80.0 ! asymptotic mixing length (m)\n REAL, PARAMETER :: RIC = 0.25 ! critical Richardson #\n REAL, PARAMETER :: QUARTER = 0.25\n REAL, PARAMETER :: SIXTEENTH = QUARTER * QUARTER ! 1/16\n\nC External Functions: None\n\nC File Variables:\n REAL KZM ! local KZMIN\n\nC Local variables:\n INTEGER MDATE, MTIME, STEP\n INTEGER C, R, L, V\n\n REAL DZL ! Z(L+1)-Z(L)\n REAL WW2 ! (wind speed)**2\n REAL WS2 ! (wind shear)**2\n REAL RIB ! Bulk Richardson Number\n REAL ZOL\n REAL ZFUNC, HPBL \n REAL EDDV ! local EDDYV\n REAL FH\n\n INTEGER MCOL ! these don't need to be initialized\n INTEGER MROW\n INTEGER MLVL\n REAL MTH1 ! pot. temp. in layer L\n REAL MTH2 ! pot. temp. in layer L+1\n REAL MRIB ! bulk Richardson Number\n REAL MWS ! wind shear (/sec)\n REAL MEDDYV ! eddy diffusivity (m**2/sec)\n\n REAL QMEAN, TMEAN\n REAL XLV, ALPH, CHI\n REAL CPAIR, ZK, SQL, PHIH\n REAL PHIM\n REAL WT, ZSOL\n REAL EDYZ\n REAL ZFL ! local ZF\n\n CHARACTER( 16 ) :: PNAME = 'EDDYX'\n CHARACTER( 16 ) :: VNAME\n CHARACTER( 16 ) :: UNITSCK\n CHARACTER( 96 ) :: XMSG = ' '\n\nC-----------------------------------------------------------------------\n\n MEDDYV = 0.0\n\n DO 233 L = 1, NLAYS-1\n DO 222 R = 1, NROWS\n DO 211 C = 1, NCOLS\n HPBL = MAX( Met_Data%PBL( C,R ), 20.0 )\n ZFL = Met_Data%ZF( C,R,L )\n KZM = Met_Data%KZMIN( C,R,L )\n\n ZOL = ZFL * Met_Data%MOLI( C,R )\n IF ( ZFL .LT. HPBL ) THEN\n IF ( ZOL .LT. 0.0 ) THEN\n IF ( ZFL .LT. 0.1 * HPBL ) THEN\n PHIH = 1.0 / SQRT( 1.0 - GAMAH * ZOL )\n ELSE\n ZSOL = 0.1 * HPBL * Met_Data%MOLI( C,R )\n PHIH = 1.0 / SQRT( 1.0 - GAMAH * ZSOL )\n END IF\n ELSE IF ( ZOL .LT. 1.0 ) THEN\n PHIH = 1.0 + BETAH * ZOL\n ELSE\n PHIH = BETAH + ZOL\n END IF\n WT = Met_Data%USTAR( C,R ) / PHIH\n ZFUNC = 1.0 - ZFL / HPBL\n ZFUNC = ZFL * ZFUNC * ZFUNC\n EDYZ = KARMAN * WT * ZFUNC\n EDYZ = MAX( EDYZ, KZM )\n ELSE\n EDYZ = 0.0\n END IF\n\n IF ( CSTAGUV ) THEN ! u- and v-component winds on C-stagger\n WW2 = QUARTER ! component-wise wind shear\n & * ( ( Met_Data%UWIND( C+1,R, L+1 ) - Met_Data%UWIND( C+1,R ,L )\n & + Met_Data%UWIND( C, R, L+1 ) - Met_Data%UWIND( C, R ,L ) ) ** 2\n & + ( Met_Data%VWIND( C, R+1,L+1 ) - Met_Data%VWIND( C, R+1,L )\n & + Met_Data%VWIND( C, R, L+1 ) - Met_Data%VWIND( C, R, L ) ) ** 2 )\n ELSE ! u- and v-component winds on B-stagger\n WW2 = SIXTEENTH ! component-wise wind shear\n & * ( ( Met_Data%UWIND( C, R, L+1 ) - Met_Data%UWIND( C, R ,L )\n & + Met_Data%UWIND( C+1,R, L+1 ) - Met_Data%UWIND( C+1,R ,L )\n & + Met_Data%UWIND( C, R+1,L+1 ) - Met_Data%UWIND( C, R+1,L )\n & + Met_Data%UWIND( C+1,R+1,L+1 ) - Met_Data%UWIND( C+1,R+1,L ) ) ** 2\n & + ( Met_Data%VWIND( C, R, L+1 ) - Met_Data%VWIND( C, R ,L )\n & + Met_Data%VWIND( C+1,R, L+1 ) - Met_Data%VWIND( C+1,R ,L )\n & + Met_Data%VWIND( C, R+1,L+1 ) - Met_Data%VWIND( C, R+1,L )\n & + Met_Data%VWIND( C+1,R+1,L+1 ) - Met_Data%VWIND( C+1,R+1,L ) ) ** 2 )\n END IF\n\n DZL = Met_Data%ZH( C,R,L+1 ) - Met_Data%ZH( C,R,L )\n WS2 = WW2 / ( DZL * DZL ) + 1.0E-9\n\n RIB = 2.0 * GRAV * ( Met_Data%THETAV( C,R,L+1 ) - Met_Data%THETAV( C,R,L ) )\n & / ( DZL * WS2 * ( Met_Data%THETAV( C,R,L+1 ) + Met_Data%THETAV( C,R,L ) ) )\n\nC-- Adjustment to vert diff in Moist air from HIRPBL\n\n IF ( ( Met_Data%QC( C,R,L ) .GT. 0.01E-3 ) .OR.\n & ( Met_Data%QC( C,R,L+1 ) .GT. 0.01E-3 ) ) THEN\n QMEAN = 0.5 * ( Met_Data%QV( C,R,L ) + Met_Data%QV( C,R,L+1 ) )\n TMEAN = 0.5 * ( Met_Data%TA( C,R,L ) + Met_Data%TA( C,R,L+1 ) )\n XLV = ( 2.501 - 0.00237 * ( TMEAN - 273.15 ) ) * 1.0E6\n ALPH = XLV * QMEAN / RDGAS / TMEAN\n CPAIR = 1004.67 * ( 1.0 + 0.84 * Met_Data%QV( C,R,L ) ) ! J/(K KG)\n CHI = XLV * XLV * QMEAN / ( CPAIR * RWVAP * TMEAN * TMEAN )\n RIB = ( 1.0 + ALPH )\n & * ( RIB - GRAV * GRAV / ( WS2 * TMEAN * CPAIR )\n & * ( ( CHI - ALPH ) / ( 1.0 + CHI ) ) )\n END IF\n\n ZK = 0.4 * ZFL\n SQL = ZK * RLAM / ( RLAM + ZK )\n SQL = SQL * SQL\n\n IF ( RIB .GE. 0.0 ) THEN\n! FH = 1.0 ! pleim5\n! & / ( 1.0 + 10.0 * RIB + 50.0 * RIB ** 2 + 5000.0 * RIB ** 4 ) + 0.0012\n FH = 1.0 + RIB * ( 10.0 + RIB * ( 50.0 + 5000.0 * RIB * RIB ) )\n FH = 0.0012 + 1.0 / FH ! pleim5\n\n EDDV = KZM + SQRT( WS2 ) * FH * SQL\n ELSE\n EDDV = KZM + SQRT( WS2 * ( 1.0 - 25.0 * RIB ) ) * SQL\n END IF\n\n IF ( ZFL .LT. HPBL .AND. EDYZ .GT. EDDV ) THEN\n EDDV = EDYZ\n END IF\n EDDV = MIN( 1000.0, EDDV )\n\n IF ( EDDV .GT. MEDDYV ) THEN\nC Capture the col, row, lvl, and EDDYV for the global min DT\n MCOL = C\n MROW = R\n MLVL = L\n MEDDYV = EDDV\n MTH1 = Met_Data%THETAV( C,R,L )\n MTH2 = Met_Data%THETAV( C,R,L+1 )\n MRIB = RIB\n MWS = SQRT ( WS2 )\n END IF\n\n EDDYV( C,R,L ) = EDDV\n\n211 CONTINUE ! end loop on columns\n222 CONTINUE ! end loop on rows\n233 CONTINUE ! end loop on levels\n\n !WRITE( LOGDEV,* ) ' '\n !WRITE( LOGDEV,1001 ) MEDDYV, MCOL, MROW, MLVL\n1001 FORMAT(/ 5X, 'Maximum eddy diffusivity of:', 1PG13.5,\n & 1X, '(m**2/sec)'\n & / 5X, 'at col, row, layer:', I4, 2(', ', I3) )\n !WRITE( LOGDEV,1003 ) MWS, MRIB, MTH1, MTH2\n1003 FORMAT( 5X, 'corresponding to a free tropospheric wind shear of:',\n & 1PG13.5, 1X, '(/sec),'\n & /28X, 'a bulk Richardson Number of:', 1PG13.5, ','\n & / 5X, 'and pot. temps. in layer and layer+1:', 2(1PG13.5) )\n WRITE( LOGDEV,* ) ' '\n\n DO R = 1, NROWS\n DO C = 1, NCOLS\n EDDYV( C,R,NLAYS ) = 0.0\n END DO\n END DO\n\n RETURN\n END\n" }, { "path": "CCTM/src/vdiff/acm2_m3dry/matrix1.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/CCTM/src/vdiff/acm2/matrix.F,v 1.5 2011/10/21 16:11:45 yoj Exp $\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE MATRIX1 ( KL, A, B, E, D, X )\n\nC Rather than solving the ACM2 banded tridiagonal matrix using LU decomposition,\nC it is much faster to split the solution into the ACM1 convective solver followed\nC by the tridiagonal solver\nC MATRIX1 is the ACM1 solver. When the PBL is convective, this solver is called\nC followed by TRI. If not convective, only TRI is called.\n\nC-- ACM1 Matrix is in this form (there is no subdiagonal:\nC B1 E2 <- note E2 (flux from layer above), not E1\nC A2 B2 E3\nC A3 B3 E4\nC A4 B4 E5\nC A5 B5 E6\nC A6 B6\n\n USE VGRD_DEFN ! vertical layer specifications\n USE CGRID_SPCS ! CGRID mechanism species\n USE UTILIO_DEFN\n\n IMPLICIT NONE\n\nC Includes:\n INTEGER, SAVE :: N_SPC_DIFF ! global diffusion species\n\nC Arguments:\n INTEGER, INTENT( IN ) :: KL ! CBL sigma height\n REAL, INTENT( IN ) :: A( : ) ! matrix column one\n REAL, INTENT( IN ) :: B( : ) ! diagonal\n REAL, INTENT( IN ) :: E( : ) ! superdiagonal\n REAL, INTENT( IN ) :: D( :,: ) ! R.H.S\n REAL, INTENT( OUT ) :: X( :,: ) ! returned solution\n\nC Locals:\n REAL, ALLOCATABLE, SAVE :: BETA( : )\n REAL ALPHA, GAMA \n\n INTEGER L, V, IOS\n\n CHARACTER( 120 ) :: XMSG = ' '\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n\nC-----------------------------------------------------------------------\n\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n N_SPC_DIFF = N_GC_TRNS + N_AE_TRNS + N_NR_TRNS + N_TR_DIFF\n ALLOCATE ( BETA( N_SPC_DIFF ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n XMSG = 'Failure allocating BETA'\n CALL M3EXIT( 'MATRIX', 0, 0, XMSG, XSTAT1 )\n END IF\n END IF ! FIRSTIME\n\nC-- ACM1 matrix solver\n\n DO V = 1, N_SPC_DIFF\n BETA( V ) = D( V,1 )\n END DO\n GAMA = B( 1 )\n ALPHA = 1.0\n\n DO L = 2, KL\n ALPHA = -ALPHA * E( L ) / B( L )\n DO V = 1, N_SPC_DIFF\n BETA( V ) = ALPHA * D( V,L ) + BETA( V )\n END DO\n GAMA = GAMA + ALPHA * A( L )\n END DO\n\n DO V = 1, N_SPC_DIFF\n X( V,1 ) = BETA( V ) / GAMA\n X( V,KL ) = ( D( V,KL ) - A( KL ) * X( V,1 ) ) / B( KL )\n END DO\n\nC-- Back sub for Ux=y\n\n DO L = KL-1, 2, -1\n DO V = 1, N_SPC_DIFF\n X( V,L ) = ( D( V,L ) - A( L ) * X( V,1 ) - E( L+1 ) * X( V,L+1 ) ) / B( L )\n END DO\n END DO\n\n RETURN\n END\n\n" }, { "path": "CCTM/src/vdiff/acm2_m3dry/opddep.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/CCTM/src/vdiff/acm2/opddep.F,v 1.6 2012/01/19 14:40:52 yoj Exp $\n \nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n \nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE OPDDEP ( JDATE, JTIME, TSTEP, N_SPC_DDEP )\n\nC 30 Mar 01 J.Young: dyn alloc - Use HGRD_DEFN\nC 03 Sep 01 David Wong: for new pario\nC 31 Jan 05 J.Young: dyn alloc - establish both horizontal & vertical\nC domain specifications in one module\nC 21 Jun 10 J.Young: convert for Namelist redesign\nC 16 Feb 11 S.Roselle: replaced I/O API include files with UTILIO_DEFN\nC 11 May 11 J.Bash: Modified to output NH3 bidi component fluxes\nC 04 Jan 12 J.Young: Initalize char strings with blank padding\nC 08 Jun 12 J.Young: remove full character blank padding for GNU Fortran (GCC) 4.1.2\nC 12 Dec 19 S.L.Napelenok: ddm-3d implementation for version 5.3.1\n\n USE RUNTIME_VARS, ONLY : ABFLUX\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE CGRID_SPCS ! CGRID mechanism species\n USE UTILIO_DEFN\n\n#ifdef sens\n USE DDM3D_DEFN, ONLY: NP, NPMAX, SENNUM, SPCNAME, SEN_PAR\n#endif\n\n IMPLICIT NONE\n \n INCLUDE SUBST_FILES_ID ! file name parameters\n\nC Arguments:\n\n INTEGER, INTENT( IN ) :: JDATE ! current model date, coded YYYYDDD\n INTEGER, INTENT( IN ) :: JTIME ! current model time, coded HHMMSS\n INTEGER, INTENT( IN ) :: TSTEP ! output time step\n INTEGER, INTENT( IN ) :: N_SPC_DDEP ! no. of dry dep species\n\nC Local variables:\n\n CHARACTER( 16 ) :: PNAME = 'OPDDEP'\n CHARACTER( 96 ) :: XMSG = ' '\n\n INTEGER V, N, L ! loop induction variables\n INTEGER STRT, FINI ! loop induction variables\n\nC-----------------------------------------------------------------------\n\n#ifndef mpas\nC Try to open existing file for update\n\n IF ( .NOT. OPEN3( CTM_DRY_DEP_1, FSRDWR3, PNAME ) ) THEN\n \n XMSG = 'Could not open ' // CTM_DRY_DEP_1 // ' file for update - '\n & // 'try to open new'\n CALL M3MESG( XMSG )\n\nC Set output file characteristics based on COORD.EXT and open the dry dep file\n\n FTYPE3D = GRDDED3\n SDATE3D = JDATE\n STIME3D = JTIME\n TSTEP3D = TSTEP\n CALL NEXTIME( SDATE3D, STIME3D, TSTEP3D ) ! start the next hour\n IF ( ABFLUX ) THEN\n NVARS3D = N_SPC_DDEP + 2\n ELSE \n NVARS3D = N_SPC_DDEP \n END IF\n NCOLS3D = GL_NCOLS\n NROWS3D = GL_NROWS\n NLAYS3D = 1\n NTHIK3D = 1\n GDTYP3D = GDTYP_GD\n P_ALP3D = P_ALP_GD\n P_BET3D = P_BET_GD \n P_GAM3D = P_GAM_GD\n XORIG3D = XORIG_GD\n YORIG3D = YORIG_GD\n XCENT3D = XCENT_GD\n YCENT3D = YCENT_GD\n XCELL3D = XCELL_GD\n YCELL3D = YCELL_GD\n VGTYP3D = VGTYP_GD\n VGTOP3D = VGTOP_GD\n! VGTPUN3D = VGTPUN_GD ! currently, not defined\n DO L = 1, NLAYS3D + 1\n VGLVS3D( L ) = VGLVS_GD( L )\n END DO\n! GDNAM3D = GDNAME_GD\n GDNAM3D = GRID_NAME ! from HGRD_DEFN\n\n N = 0\n STRT = 1\n FINI = N_GC_DDEP\n DO V = STRT, FINI\n N = N + 1\n VTYPE3D( V ) = M3REAL\n VNAME3D( V ) = GC_DDEP( N )\n UNITS3D( V ) = 'kg ha-1'\n VDESC3D( V ) = 'hourly dry deposition values'\n END DO\n\n N = 0\n STRT = N_GC_DDEP + 1\n FINI = N_GC_DDEP + N_AE_DDEP\n DO V = STRT, FINI\n N = N + 1\n VTYPE3D( V ) = M3REAL\n VNAME3D( V ) = AE_DDEP( N )\n IF ( AE_DDEP( N )( 1:3 ) .EQ. 'NUM' ) THEN\n UNITS3D( V ) = 'ha-1'\n ELSE IF ( AE_DDEP( N )( 1:3 ) .EQ. 'SRF' ) THEN\n UNITS3D( V ) = 'm2 ha-1'\n ELSE\n UNITS3D( V ) = 'kg ha-1'\n END IF\n VDESC3D( V ) = 'hourly dry deposition values'\n END DO\n\n N = 0\n STRT = N_GC_DDEP + N_AE_DDEP + 1\n FINI = N_GC_DDEP + N_AE_DDEP + N_NR_DDEP\n DO V = STRT, FINI\n N = N + 1\n VTYPE3D( V ) = M3REAL\n VNAME3D( V ) = NR_DDEP( N )\n UNITS3D( V ) = 'kg ha-1'\n VDESC3D( V ) = 'hourly dry deposition values'\n END DO\n\n N = 0\n STRT = N_GC_DDEP + N_AE_DDEP + N_NR_DDEP + 1\n FINI = N_GC_DDEP + N_AE_DDEP + N_NR_DDEP + N_TR_DDEP\n DO V = STRT, FINI\n N = N + 1\n VTYPE3D( V ) = M3REAL\n VNAME3D( V ) = TR_DDEP( N )\n UNITS3D( V ) = 'ha-1'\n VDESC3D( V ) = 'hourly dry deposition values'\n END DO\n\n IF ( ABFLUX ) THEN\n VTYPE3D( V ) = M3REAL\n VNAME3D( V ) = 'NH3_Flux'\n UNITS3D( V ) = 'kg/hectare'\n VDESC3D( V ) = 'hourly bidi flux values'\n \n VTYPE3D( V+1 ) = M3REAL\n VNAME3D( V+1 ) = 'NH3_Emis'\n UNITS3D( V+1 ) = 'kg/hectare'\n VDESC3D( V+1 ) = 'hourly NH3_Emis values'\n END IF\n\n FDESC3D( 1 ) = 'hourly 1-layer cross-point M3Dry dry deposition data'\n DO L = 2, MXDESC3\n FDESC3D( L ) = ' '\n END DO\n\nC Open dry deposition file\n\n IF ( .NOT. OPEN3( CTM_DRY_DEP_1, FSNEW3, PNAME ) ) THEN\n XMSG = 'Could not create '// CTM_DRY_DEP_1 // ' file'\n CALL M3EXIT( PNAME, SDATE3D, STIME3D, XMSG, XSTAT1 )\n END IF\n\n END IF\n#endif\n\n#ifdef sens\nCC..Create sensitivity dry deposition file\n\nC...check for existing file\n IF ( .NOT. OPEN3( CTM_SDRYDEP_1, FSRDWR3, PNAME ) ) THEN\n XMSG = 'Could not open ' // CTM_SDRYDEP_1 // ' file for update - '\n & // 'try to open new'\n CALL M3MESG( XMSG )\n\nC...set output file variables \n NVARS3D = N_SPC_DDEP * NPMAX\n FDESC3D( 1 ) = 'sensitivity of hourly dry deposition'\n\nC...define sens dry deposition output descriptors for gaseous species\n N = 0\n STRT = 1\n FINI = N_GC_DDEP\n DO V = STRT, FINI\n N = N + 1\n SPCNAME = GC_DDEP( N )( 1:12 )\n DO NP = 1, NPMAX\n SENNUM = ( V - 1 ) * NPMAX + NP\n VNAME3D ( SENNUM ) = TRIM( SPCNAME ) //'_' // SEN_PAR( NP )\n VTYPE3D( SENNUM ) = M3REAL\n UNITS3D( SENNUM ) = 'kg/hectare'\n VDESC3D( SENNUM ) = 'sensitivity of hourly dry deposition values'\n END DO\n ENDDO\n\nC...define dry deposition output descriptors for aerosol species\n N = 0\n STRT = N_GC_DDEP + 1\n FINI = N_GC_DDEP + N_AE_DDEP\n DO V = STRT, FINI\n N = N + 1\n SPCNAME = AE_DDEP( N )( 1:12 )\n DO NP = 1, NPMAX\n SENNUM = ( V - 1 ) * NPMAX + NP\n VNAME3D ( SENNUM ) = TRIM( SPCNAME ) //'_' // SEN_PAR( NP )\n VTYPE3D( SENNUM ) = M3REAL\n IF ( AE_DDEP( N )( 1:3 ) .EQ. 'NUM' ) THEN\n UNITS3D( SENNUM ) = 'number/hectare'\n ELSE IF ( AE_DDEP( N )( 1:3 ) .EQ. 'SRF' ) THEN\n UNITS3D( SENNUM ) = 'm**2/hectare'\n ELSE\n UNITS3D( SENNUM ) = 'kg/hectare'\n END IF\n VDESC3D( SENNUM ) = 'sensitivity of hourly dry deposition values'\n END DO\n ENDDO\n\nC...define dry deposition output descriptors for non-reactive species\n N = 0\n STRT = N_GC_DDEP + N_AE_DDEP + 1\n FINI = N_GC_DDEP + N_AE_DDEP + N_NR_DDEP\n DO V = STRT, FINI\n N = N + 1\n SPCNAME = NR_DDEP( N )( 1:12 )\n DO NP = 1, NPMAX\n SENNUM = ( V - 1 ) * NPMAX + NP\n VNAME3D ( SENNUM ) = TRIM( SPCNAME ) //'_' // SEN_PAR( NP )\n VTYPE3D( SENNUM ) = M3REAL\n UNITS3D( SENNUM ) = 'kg/hectare'\n VDESC3D( SENNUM ) = 'sensitivity of hourly dry deposition values'\n END DO\n END DO\n\nC...define dry deposition output descriptors for tracer species\n N = 0\n STRT = N_GC_DDEP + N_AE_DDEP + N_NR_DDEP + 1\n FINI = N_GC_DDEP + N_AE_DDEP + N_NR_DDEP + N_TR_DDEP\n DO V = STRT, FINI\n N = N + 1\n SPCNAME = TR_DDEP( N )( 1:12 )\n DO NP = 1, NPMAX\n SENNUM = ( V - 1 ) * NPMAX + NP\n VNAME3D ( SENNUM ) = TRIM( SPCNAME ) //'_' // SEN_PAR( NP )\n VTYPE3D( SENNUM ) = M3REAL\n UNITS3D( SENNUM ) = '----'\n VDESC3D( SENNUM ) = 'sensitivity of hourly dry deposition values'\n END DO\n END DO\n\nC...create a new file\n IF ( .NOT. OPEN3( CTM_SDRYDEP_1, FSNEW3, PNAME ) ) THEN\n XMSG = 'Could not create '// CTM_DRY_DEP_1 // ' file'\n CALL M3EXIT( PNAME, SDATE3D, STIME3D, XMSG, XSTAT1 )\n END IF\n\n END IF\n#endif\n\n RETURN\n END\n" }, { "path": "CCTM/src/vdiff/acm2_m3dry/tri.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/CCTM/src/vdiff/acm2/tri.F,v 1.4 2011/10/21 16:11:46 yoj Exp $\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE TRI ( L, D, U, B, X )\n\nC-----------------------------------------------------------------------\nC Function:\nC Solves tridiagonal system by Thomas algorithm. Algorithm fails\nC ( M3ERR ) if first pivot is zero. In that case, rewrite the\nC equation as a set of order KMAX-1, with X(2) trivially eliminated.\nC The associated tri-diagonal system is stored in 3 arrays\nC D : diagonal\nC L : sub-diagonal\nC U : super-diagonal\nC B : right hand side function\nC X : return solution from tridiagonal solver\n\nC [ D(1) U(1) 0 0 0 ... 0 ]\nC [ L(2) D(2) U(2) 0 0 ... . ]\nC [ 0 L(3) D(3) U(3) 0 ... . ]\nC [ . . . . . ] X(i) = B(i)\nC [ . . . . 0 ]\nC [ . . . . ]\nC [ 0 L(n) D(n) ]\n\nC where n = NLAYS\n\nC Preconditions:\n\nC Subroutines and Functions Called:\n\nC Revision History:\nC No. Date Who What\nC __ ____ ___ ____\nC 6 Jun 10 yoj convert for Namelist redesign\nC 5 Apr 06 JEP adapted tridiag for use with ACM2\nC 4 Aug 96 yoj cleaner\nC 3 8/16/94 XKX configuration management include statements\nC 2 3/15/92 CJC For use in Models-3 LCM.\nC 1 10/19/89 JKV converted for use on IBM\nC 0 3/89 BDX Initial version\nC-----------------------------------------------------------------------\n\n USE VGRD_DEFN ! vertical layer specifications\n USE CGRID_SPCS ! CGRID mechanism species\n\n IMPLICIT NONE\n\nC Includes: None\n\nC Arguments:\n\n REAL, INTENT( IN ) :: L( : ) ! subdiagonal\n REAL, INTENT( IN ) :: D( : ) ! diagonal\n REAL, INTENT( IN ) :: U( : ) ! superdiagonal\n REAL, INTENT( IN ) :: B( :,: ) ! R.H. side\n REAL, INTENT( OUT ) :: X( :,: ) ! solution\n\nC Local Variables:\n\n INTEGER, SAVE :: N_SPC_DIFF ! global diffusion species\n REAL GAM( NLAYS )\n REAL BET\n INTEGER V, K\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n\nC-----------------------------------------------------------------------\n\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n N_SPC_DIFF = N_GC_TRNS + N_AE_TRNS + N_NR_TRNS + N_TR_DIFF\n END IF ! FIRSTIME\n\nC Decomposition and forward substitution:\n BET = 1.0 / D( 1 )\n DO V = 1, N_SPC_DIFF\n X( V,1 ) = BET * B( V,1 )\n END DO\n\n DO K = 2, NLAYS\n GAM( K ) = BET * U( K-1 )\n BET = 1.0 / ( D( K ) - L( K ) * GAM( K ) )\n DO V = 1, N_SPC_DIFF\n X( V,K ) = BET * ( B( V,K ) - L( K ) * X( V,K-1 ) )\n END DO\n END DO\n\nC Back-substitution:\n\n DO K = NLAYS - 1, 1, -1\n DO V = 1, N_SPC_DIFF\n X( V,K ) = X( V,K ) - GAM( K+1 ) * X( V,K+1 )\n END DO\n END DO\n\n RETURN\n END\n" }, { "path": "CCTM/src/vdiff/acm2_m3dry/vdiffacmx.F", "content": "!--------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE VDIFFACMX ( DTSEC, SEDDY, DDEP, ICMP, CNGRD )\n\nC-----------------------------------------------------------------------\nC Asymmetric Convective Model v2 (ACM2/ACM1) -- Pleim(2006/2014)\nC Function:\nC calculates vertical diffusion\n\nC Subroutines and Functions Called:\nC SEC2TIME, TIME2SEC, WRITE3, NEXTIME,\nC M3EXIT, EDDYX, TRI, MATRIX, PA_UPDATE_EMIS, PA_UPDATE_DDEP\n\nC Revision History:\nC Analogous to VDIFFACM2\nC 11 Apr 13 J.Young: fix double adjustment of conc for DDBF in heterogeneous HONO\nC if-then-else clauses; eliminate some white space\nC 13 May 13 J.Young: access met data from VDIFF_MET module\nC change CRANKP to THBAR, CRANKQ to THETA\nC 25 May 13 J.Young: re-do the acm/eddy algorithm for computational efficiency\nC 30 Apr 14 J.Young: switch THBAR and THETA\nC 2 May 14 J.Pleim, J.Young: replace the banded tridiagonal matrix solver for the\nC convective PBL, with the ACM1 matrix solver followed by the tridiagonal\nC matrix solver\nC 30 May 14 J.Young: split vdiff calculation out of vdiff proc.\nC 07 Nov 14 J.Bash: Updated for the ASX_DATA_MOD shared data module. \nC 02 Nov 2018: L.Zhou, S.Napelenok: isam implementation\nC May 2019 J.Pleim Changed from sigma coords to Z coords for compatability w/ MPAS and WRF\nC 12 Dec 19 S.L.Napelenok: ddm-3d implementation for version 5.3.1\nC 15 Jun 21 J. Pleim: implemented HONO fix for dry depsotion flux\nC-----------------------------------------------------------------------\n\n USE CGRID_SPCS ! CGRID mechanism species\n USE GRID_CONF\n USE DESID_VARS, ONLY : VDEMIS_DIFF,DESID_LAYS\n USE DESID_PARAM_MODULE, ONLY : DESID_N_SRM\n USE DEPV_DEFN\n USE ASX_DATA_MOD\n USE VDIFF_MAP\n USE UTILIO_DEFN\n! USE BIDI_MOD\n! USE LSM_MOD, ONLY: N_LUFRAC\n USE VDIFF_DIAG, NLPCR => NLPCR_MEAN\n USE HGRD_DEFN,only : COLSX_PE, ROWSX_PE\n USE BDSNP_MOD, ONLY: GET_N_DEP\n#ifdef isam\n USE SA_DEFN, ONLY: N_SPCTAG, ISAM, VNAM_SPCTAG, TRANSPORT_SPC,\n & SA_VDEMIS_DIFF, ITAG, NTAG_SA, NSPC_SA,\n & S_SPCTAG, T_SPCTAG, SA_DDEP, OTHRTAG, ISAM_SPEC,\n & L_NO3, SA_BIDI, BIDITAG, L_NH4\n#endif\n\n#ifdef sens\n USE DDM3D_DEFN, ONLY : NP, NPMAX, SNGRD, S_DDEP, S_PLDV, SVDEMIS_DIFF,\n & SENS, S_EMIS, S_DD, S_UU, S_DDBF, S_POL,\n & S_DELC, S_PLDV_HONO\n#endif\n\n\n IMPLICIT NONE\n\n INCLUDE SUBST_FILES_ID ! file name parameters\n\n CHARACTER( 120 ) :: XMSG = ' '\n\nC Arguments:\n REAL, INTENT( IN ) :: DTSEC ! model time step in seconds\nC--- SEDDY is strictly an input, but it gets modified here\n REAL, INTENT( INOUT ) :: SEDDY ( :,:,: ) ! flipped EDDYV\n REAL, INTENT( INOUT ) :: DDEP ( :,:,: ) ! ddep accumulator\n REAL, INTENT( INOUT ) :: ICMP ( :,:,: ) ! component flux accumlator \n REAL, INTENT( INOUT ) :: CNGRD ( :,:,:,: ) ! cgrid replacement\n\nC Parameters:\n\nC explicit, THETA = 0, implicit, THETA = 1 ! Crank-Nicholson: THETA = 0.5\n REAL, PARAMETER :: THETA = 0.5,\n & THBAR = 1.0 - THETA\n\n REAL, PARAMETER :: EPS = 1.0E-06\n\nC External Functions: None\n\nC Local Variables:\n\n CHARACTER( 16 ), SAVE :: PNAME = 'VDIFFACMX'\n\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n LOGICAL, SAVE :: SPECLOG = .TRUE. ! For BDSNP\n\n REAL, ALLOCATABLE, SAVE :: DD_FAC ( : ) ! combined subexpression\n REAL, ALLOCATABLE, SAVE :: DDBF ( : ) ! secondary DDEP\n REAl, ALLOCATABLE, SAVE :: CMPF ( : ) ! intermediate CMP\n REAL, ALLOCATABLE, SAVE :: CONC ( :,: ) ! secondary CGRID expression\n REAL, ALLOCATABLE, SAVE :: EMIS ( :,: ) ! emissions subexpression\n REAL DTDENS1 ! DT * layer 1 air density\n\nC ACM Local Variables\n REAL :: EDDY ( NLAYS ) ! local converted eddyv\n REAL MEDDY ! ACM2 intermediate var\n REAL MBAR ! ACM2 mixing rate (S-1)\n REAL :: MBARKS( NLAYS ) ! by layer\n REAL :: MDWN ( NLAYS ) ! ACM down mix rate\n REAL :: MFAC ( NLAYS ) ! intermediate loop factor\n REAL :: AA ( NLAYS ) ! matrix column one\n REAL :: BB1 ( NLAYS ) ! diagonal for MATRIX1\n REAL :: BB2 ( NLAYS ) ! diagonal for TRI\n REAL :: CC ( NLAYS ) ! subdiagonal\n REAL :: EE1 ( NLAYS ) ! superdiagonal for MATRIX1\n REAL :: EE2 ( NLAYS ) ! superdiagonal for TRI\n REAL, ALLOCATABLE, SAVE :: DD ( :,: ) ! R.H.S\n REAL, ALLOCATABLE, SAVE :: UU ( :,: ) ! returned solution\n REAL DFACP, DFACQ\n REAL :: DFSP( NLAYS ), DFSQ( NLAYS ) ! intermediate loop factors\n REAL DELC, DELP, RP, RQ\n REAL :: LFAC1( NLAYS ) ! intermediate factor for CONVT\n REAL :: LFAC2( NLAYS ) ! intermediate factor for CONVT\n REAL :: LFAC3( NLAYS ) ! intermediate factor for eddy\n REAL :: LFAC4( NLAYS ) ! intermediate factor for eddy\n REAL, ALLOCATABLE, SAVE :: DEPVCR ( : ) ! dep vel in one cell\n ! one cell for each landuse category\n REAL, ALLOCATABLE, SAVE :: EFAC1 ( : )\n REAL, ALLOCATABLE, SAVE :: EFAC2 ( : )\n REAL, ALLOCATABLE, SAVE :: POL ( : ) ! prodn/lossrate = PLDV/DEPV\n REAL PLDV_HONO ! PLDV for HONO\n REAL DEPV_NO2 ! dep vel of NO2\n REAL DEPV_HNO3 ! dep vel of HNO3\n REAL FNL ! ACM2 Variable\n INTEGER NLP, NL, LCBL\n INTEGER, SAVE :: NO2_HIT = 0, HONO_HIT = 0, HNO3_HIT = 0, NO2_MAP= 0, HONO_MAP = 0, HNO3_MAP = 0\n INTEGER, SAVE :: O3_HIT = 0, O3_MAP = 0\n INTEGER, SAVE :: NH3_HIT = 0\n REAL DTLIM, DTS, DTACM, RZ\n\n INTEGER ASTAT\n INTEGER C, R, L, S, V, I, J ! loop induction variables\n INTEGER MDATE, MTIME ! internal simulation date&time\n!--Local Arrays for Z-coord implimentation\n REAL :: DZH ( NLAYS ) ! ZF(L) - ZF(L-1)\n REAL :: DZHI ( NLAYS ) ! 1/DZH\n REAL :: DZFI ( NLAYS ) ! ZH(L+1) - ZH(L)\n integer gl_c, gl_r\n#ifdef isam\n REAL :: TOTAL_SA_NO2\n REAL, ALLOCATABLE, SAVE :: SA_DDBF( : )\n INTEGER IBGN, JSPCTAG\n\n REAL, ALLOCATABLE,SAVE :: SAEMIS( :,: )\n REAL, ALLOCATABLE,SAVE :: SACONC( :,: )\n REAL, ALLOCATABLE,SAVE :: SA_DD( :,: )\n REAL, ALLOCATABLE,SAVE :: SA_UU( :,: )\n\n REAL, ALLOCATABLE,SAVE :: SAFRAC( : )\n REAL, ALLOCATABLE,SAVE :: SA_NO2( : ) \n REAL, ALLOCATABLE,SAVE :: SA_SUM( : )\n\n INTEGER, SAVE :: ISAM_INDEX_NO2 = 0 ! ...Index locating NO2 in ISAM\n INTEGER, SAVE :: ISAM_INDEX_NH3 = 0 ! ...Index locating NH3 in ISAM\n INTEGER, SAVE :: PLDV_INDEX_NH3 = 0 ! ...Index locating NH3 in PLDV\n\n INTEGER, ALLOCATABLE, SAVE :: ISAM_DEPV( : )\n INTEGER, ALLOCATABLE, SAVE :: INDEX_SA_HONO( : )\n INTEGER, ALLOCATABLE, SAVE :: INDEX_SA_NH3( : )\n\n\n CHARACTER( 16 ) :: ISAM_SPECIES\n\n INTEGER TOP, BOT\n\n REAL NH3_SUM\n#endif \n\n\n INTERFACE\n SUBROUTINE MATRIX1 ( KL, A, B, E, D, X )\n INTEGER, INTENT( IN ) :: KL\n REAL, INTENT( IN ) :: A( : ), B( : ), E( : )\n REAL, INTENT( IN ) :: D( :,: )\n REAL, INTENT( OUT ) :: X( :,: )\n END SUBROUTINE MATRIX1\n SUBROUTINE TRI ( L, D, U, B, X )\n REAL, INTENT( IN ) :: L( : ), D( : ), U( : )\n REAL, INTENT( IN ) :: B( :,: )\n REAL, INTENT( OUT ) :: X( :,: )\n END SUBROUTINE TRI\n#ifdef isam\n SUBROUTINE SA_MATRIX1 ( KL, A, B, E, D, X )\n INTEGER, INTENT( IN ) :: KL\n REAL, INTENT( IN ) :: A( : ), B( : ), E(: )\n REAL, INTENT( IN ) :: D( :,: )\n REAL, INTENT( OUT ) :: X( :,: )\n END SUBROUTINE SA_MATRIX1\n\n SUBROUTINE SA_TRI ( L, D, U, B, X )\n REAL, INTENT( IN ) :: L( : ), D( : ), U( : )\n REAL, INTENT( IN ) :: B( :,: )\n REAL, INTENT( OUT ) :: X( :,: )\n END SUBROUTINE SA_TRI\n#endif\n END INTERFACE\n\nC-----------------------------------------------------------------------\n\n IF ( FIRSTIME ) THEN\n\n FIRSTIME = .FALSE.\n\n MDATE = 0; MTIME = 0\n\nC set auxiliary depv arrays\n\n ALLOCATE ( DD_FAC( N_SPC_DEPV ),\n & DDBF ( N_SPC_DEPV ),\n & DEPVCR( N_SPC_DEPV ),\n & EFAC1 ( N_SPC_DEPV ),\n & EFAC2 ( N_SPC_DEPV ),\n & POL ( N_SPC_DEPV ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating DD_FAC, DDBF, DEPVCR, EFAC1, EFAC2, or POL'\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n\n ALLOCATE ( CMPF( LCMP ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating CMPF'\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n\n ALLOCATE ( CONC( N_SPC_DIFF,NLAYS ),\n & EMIS( N_SPC_DIFF,NLAYS ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating CONC or EMIS'\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n CONC = 0.0; EMIS = 0.0 ! array assignment\n\n ALLOCATE ( DD( N_SPC_DIFF,NLAYS ),\n & UU( N_SPC_DIFF,NLAYS ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating DD or UU'\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n DD = 0.0; UU = 0.0 ! array assignment\n\n HONO_HIT = 0; HNO3_HIT = 0; NO2_HIT = 0; NH3_HIT = 0\n HONO_MAP = 0; HNO3_MAP = 0; NO2_MAP = 0\n DO V = 1, N_SPC_DEPV\n IF ( DV2DF_SPC( V ) .EQ. 'NO2' ) THEN\n NO2_HIT = V\n NO2_MAP = DV2DF( V )\n ELSE IF ( DV2DF_SPC( V ) .EQ. 'HONO' ) THEN\n HONO_HIT = V\n HONO_MAP = DV2DF( V )\n ELSE IF ( DV2DF_SPC( V ) .EQ. 'HNO3' ) THEN\n HNO3_HIT = V\n HNO3_MAP = DV2DF( V )\n ELSE IF ( DV2DF_SPC( V ) .EQ. 'NH3' ) THEN\n NH3_HIT = V\n ELSE IF ( DV2DF_SPC( V ) .EQ. 'O3' ) THEN\n O3_HIT = V\n O3_MAP = DV2DF( V )\n END IF\n END DO\n\n#ifdef isam\n ALLOCATE ( SA_DDBF( N_SPCTAG ), \n & SACONC( N_SPCTAG, NLAYS ),\n & SAEMIS( N_SPCTAG, NLAYS ), \n & SA_DD ( N_SPCTAG, NLAYS ),\n & SA_UU ( N_SPCTAG, NLAYS ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure ISAM diffusion variables'\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n ALLOCATE ( SAFRAC ( N_SPCTAG ),\n & SA_SUM ( NSPC_SA ),\n & ISAM_DEPV( N_SPCTAG ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure ISAM depv variables'\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n \n ALLOCATE ( SA_NO2( NTAG_SA ),\n & INDEX_SA_HONO( NTAG_SA ), \n & INDEX_SA_NH3 ( NTAG_SA ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure ISAM HONO/NH3 variables'\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n \n SACONC = 0.0\n SAEMIS = 0.0\n SA_DD = 0.0\n SA_UU = 0.0\n\n SAFRAC = 0.0\n ISAM_DEPV = 0\n SA_NO2 = 1.0 / REAL( NTAG_SA )\n INDEX_SA_HONO = 0\n INDEX_SA_NH3 = 0\n\n! set default partitioning of surface fluxes\n DO JSPCTAG = 1, N_SPCTAG\n IF ( T_SPCTAG( JSPCTAG ) .EQ. OTHRTAG ) THEN\n SAFRAC( JSPCTAG ) = 1.0\n ELSE\n SAFRAC( JSPCTAG ) = 0.0\n END IF\n END DO\n! find NO2 in tracked species\n DO S = 1, NSPC_SA\n IF( ISAM_SPEC( S,1 ) .EQ. 'NO2' )THEN\n ISAM_INDEX_NO2 = S\n EXIT\n END IF \n END DO\n\n! find NH3 in tracked species\n IF ( SA_BIDI ) THEN\n DO S = 1, NSPC_SA\n IF( ISAM_SPEC( S,1 ) .EQ. 'NH3' )THEN\n ISAM_INDEX_NH3 = S\n EXIT\n END IF\n END DO\n S = -1\n S = INDEX1( 'NH3', N_SPC_DEPV, DEPV_SPC )\n IF ( S .GT. 0 ) THEN\n PLDV_INDEX_NH3 = S\n ELSE\n XMSG = 'NH3 not found in DEPV_SPC array'\n CALL M3EXIT( 'PLDV_INDEX_NH3', 0, 0, XMSG, XSTAT1 )\n END IF\n END IF\n\n! set indices determining depv treatment, equals zero if none\n ITAG = 0\n WRITE(LOGDEV,'(/,A7,1X,2(A16,1X))')'JSPCTAG','ISAM_SPECIES','DEPV Value'\n DO JSPCTAG = 1, N_SPCTAG\n ISAM_SPECIES = ISAM_SPEC( S_SPCTAG( JSPCTAG ),1 )\n IF( TRIM( ISAM_SPECIES ) .EQ. 'HONO' )THEN\n ITAG = ITAG + 1\n INDEX_SA_HONO( ITAG ) = JSPCTAG\n END IF\n DO V = 1, N_SPC_DEPV\n IF ( TRIM( ISAM_SPECIES ) .EQ. DV2DF_SPC( V ) ) THEN\n ISAM_DEPV( JSPCTAG ) = V\n END IF \n END DO\n END DO \n WRITE(LOGDEV,'(/,A4,1X,A13,1X,A16)')'ITAG','INDEX_SA_HONO','ISAM_SPECIES'\n DO ITAG = 1, NTAG_SA\n JSPCTAG = INDEX_SA_HONO( ITAG )\n IF ( JSPCTAG .GT. 0 ) THEN\n WRITE(LOGDEV,'(I2,3X,I4,8X,A16)')ITAG,JSPCTAG,VNAM_SPCTAG( JSPCTAG )\n ELSE\n WRITE(LOGDEV,'(I2,3X,I4,8X,A16)')ITAG,JSPCTAG,'MISSING'\n END IF \n END DO\nc WRITE(LOGDEV,* )'TAG_species, Default Partitioning Coeff.'\nc DO JSPCTAG = 1, N_SPCTAG\nc WRITE(LOGDEV,*)VNAM_SPCTAG( JSPCTAG ),' ,',SAFRAC( JSPCTAG )\nc END DO \n IF ( ABFLUX .AND. L_NH4 ) THEN\n ITAG = 0\n DO JSPCTAG = 1, N_SPCTAG\n ISAM_SPECIES = ISAM_SPEC( S_SPCTAG( JSPCTAG ),1 )\n IF( TRIM( ISAM_SPECIES ) .EQ. 'NH3' )THEN\n ITAG = ITAG + 1\n INDEX_SA_NH3( ITAG ) = JSPCTAG\n END IF\n END DO\n\nc DO ITAG = 1, NTAG_SA\nc JSPCTAG = INDEX_SA_NH3( ITAG )\nc SAFRAC( JSPCTAG ) = 0.0 ! to not double count the bi-di emmissions\nc END DO\n END IF\n#endif\n\n#ifdef sens\n ALLOCATE ( S_POL ( NPMAX, N_SPC_DEPV ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating S_POL'\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n S_POL = 0.0\n\n ALLOCATE ( S_DDBF( N_SPC_DEPV, NPMAX ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating S_DBF'\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n S_DDBF = 0.0\n\n ALLOCATE ( SENS( N_SPC_DIFF,NLAYS,NPMAX ),\n & S_EMIS( N_SPC_DIFF,NLAYS,NPMAX ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating SENS or S_EMIS'\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n SENS = 0.0; S_EMIS = 0.0 ! array assignment\n\n ALLOCATE ( S_DD( N_SPC_DIFF,NLAYS,NPMAX ),\n & S_UU( N_SPC_DIFF,NLAYS,NPMAX ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating S_DD or S_UU'\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n S_DD = 0.0; S_UU = 0.0 ! array assignment\n\n ALLOCATE ( S_PLDV_HONO( NPMAX ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating S_PLDV_HONO'\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n S_PLDV_HONO = 0.0 ! array assignment\n\n\n#endif\n \n END IF ! if Firstime\n\nC ------------------------------------------- Row, Col LOOPS -----------\n\n DO 345 R = 1, NROWS\n DO 344 C = 1, NCOLS\n DZH(1) = Met_Data%ZF( C,R,1 )\n DZHI(1) = 1./DZH(1)\n DO L = 2, NLAYS\n DZH(L) = Met_Data%ZF( C,R,L ) - Met_Data%ZF( C,R,L-1 ) \n DZHI(L) = 1./DZH(L)\n ENDDO\n DO L = 1, NLAYS - 1\n DZFI(L) = 1. / ( Met_Data%ZH( C,R,L+1 ) - Met_Data%ZH( C,R,L ) )\n ENDDO\n DZFI(NLAYS) = DZFI(NLAYS-1)\n\nC for ACM time step\n DTLIM = DTSEC\n\nC dt = .75 dzf*dzh / Kz\n DO L = 1, NLAYS - 1\n DTLIM = MIN( DTLIM, 0.75 / ( SEDDY( L,C,R ) * DZHI(L)*DZFI(L) ) )\n END DO\n MBARKS = 0.0 ! array assignment\n MDWN = 0.0 ! array assignment\n\nC conjoin ACM & EDDY ---------------------------------------------------\n\n MBAR = 0.0\n FNL = 0.0\n\n IF ( Met_Data%CONVCT( C,R ) ) THEN ! Do ACM for this column\n LCBL = Met_Data%LPBL( C,R )\n MEDDY = SEDDY( 1,C,R ) * DZFI(1) / (Met_Data%PBL( C,R ) - Met_Data%ZF(C,R,1))\n FNL = 1.0 / ( 1.0 + ( ( KARMAN / ( -Met_Data%HOL( C,R ) ) ) ** 0.3333 )\n & / ( 0.72 * KARMAN ) )\n MBAR = MEDDY * FNL\n IF ( MEDDY .LT. EPS ) THEN\n gl_c = c + COLSX_PE(1,mype+1) -1\n gl_r = r + ROWSX_PE(1,mype+1) -1\n WRITE( LOGDEV,* ) ' Warning --- MEDDY < 1e-6 s-1'\n WRITE( LOGDEV,* ) ' SEDDY, MEDDY, FNL, HOL = ',\n & SEDDY( 1,C,R ), MEDDY, FNL, Met_Data%HOL( C,R )\n XMSG = '*** ACM fails ***'\n WRITE( LOGDEV,*)' c,r=', gl_c,gl_r,' pbl,ust=',Met_Data%PBL( C,R ),Met_Data%USTAR( C,R )\n! CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT2 )\n END IF\n\n IF ( ( FNL .LE. 0.0 ) .OR. ! never gonna happen for CONVCT\n & ( LCBL .GE. NLAYS-1 ) .OR. ! .GT. never gonna happen\n & ( Met_Data%HOL( C,R ) .GT. -0.00001 ) ) ! never gonna happen\n & WRITE( LOGDEV,1015 ) LCBL, MBAR, FNL, SEDDY( 1,C,R ), Met_Data%HOL( C,R )\n1015 FORMAT( ' LCBL, MBAR, FNL, SEDDY1, HOL:', I3, 1X, 4(1PE13.5) )\n\n DO L = 2, LCBL \n SEDDY( L,C,R ) = ( 1.0 - FNL ) * SEDDY( L,C,R )\n MBARKS( L ) = MBAR\n MDWN( L ) = MBAR * (Met_Data%PBL( C,R ) - Met_Data%ZF(C,R,L-1)) * DZHI(L)\n END DO\n SEDDY( 1,C,R ) = ( 1.0 - FNL ) * SEDDY( 1,C,R )\n MBARKS(1) = MBAR\n MBARKS(LCBL) = MDWN(LCBL)\n MDWN(LCBL+1) = 0.0\n\nC Modify Timestep for ACM2\n RZ = (Met_Data%ZF(C,R,LCBL) - Met_Data%ZF(C,R,1)) * DZHI(1)\n DTACM = 1.0 / ( MBAR * RZ )\n DTLIM = MIN( 0.75 * DTACM, DTLIM )\n ELSE\n LCBL = 1\n END IF\n\nC-----------------------------------------------------------------------\n\n NLP = INT( DTSEC / DTLIM + 0.99 )\n IF ( VDIFFDIAG ) NLPCR( C,R ) = REAL( NLP )\n DTS = DTSEC / REAL( NLP )\n DTDENS1 = DTS * Met_Data%DENS1( C,R )\n DFACP = THETA * DTS\n DFACQ = THBAR * DTS\n\n#ifdef Verbose_Vdiff\n IF ( R .EQ. NROWS / 2 .AND. C .EQ. NCOLS / 2 )\n & WRITE( LOGDEV,1021 ) Met_Data%CONVCT( C,R ), DTS, EDDYV( C,R,1 ), MBAR, FNL\n1021 FORMAT( ' CONVCT, DTS, EDDYV, MBAR, FNL: ', L3, 1X, 4(1PE13.5) )\n#endif\n\n DO L = 1, NLAYS\n DO V = 1, N_SPC_DIFF\n CONC( V,L ) = CNGRD( DIFF_MAP( V ),L,C,R )\n END DO\n#ifdef isam\n DO JSPCTAG = 1, N_SPCTAG\n SACONC( JSPCTAG,L ) = ISAM( C,R,L,S_SPCTAG( JSPCTAG ),T_SPCTAG( JSPCTAG ) )\n END DO\n#endif\n END DO\n\n#ifdef sens\n DO NP = 1, NPMAX\n DO L = 1, NLAYS\n DO V = 1, N_SPC_DIFF\n SENS( V,L,NP ) = SNGRD( DIFF_MAP( V ),L,C,R,NP )\n END DO\n END DO\n END DO\n#endif\n\n#ifdef isam\n SA_SUM = 0.0\n DO V = 1, NSPC_SA\n DO ITAG = 1, NTAG_SA\n SA_SUM( V ) = SA_SUM( V ) + ISAM( C,R,1,V,ITAG )\n END DO\n SA_SUM( V ) = MAX ( 1.0E-30, SA_SUM( V ) )\n END DO\n\n SAFRAC = 0.0\n DO JSPCTAG = 1, N_SPCTAG\n SAFRAC( JSPCTAG ) = SACONC( JSPCTAG,1 ) / SA_SUM ( S_SPCTAG( JSPCTAG ) ) \n END DO\n\n IF ( ABFLUX .AND. L_NH4 ) THEN\n DO ITAG = 1, NTAG_SA\n JSPCTAG = INDEX_SA_NH3( ITAG )\n SAFRAC( JSPCTAG ) = 0.0 ! to not double count the bi-di emmissions\n END DO\n END IF\n\n IF( L_NO3 .AND. SFC_HONO ) THEN\n! compute the flux partitioning for HONO from NO2 surface reaction\n DO ITAG = 1, NTAG_SA\n SA_NO2( ITAG ) = MAX( ISAM( C,R,1,ISAM_INDEX_NO2,ITAG ), 1.0E-30 )\n END DO\n TOTAL_SA_NO2 = 1.0 / SUM( SA_NO2 )\n DO ITAG = 1, NTAG_SA\n JSPCTAG = INDEX_SA_HONO( ITAG )\n SAFRAC( JSPCTAG ) = SA_NO2( ITAG ) * TOTAL_SA_NO2 \n END DO \n END IF \n#endif\n \n EMIS = 0.0 ! array assignment\n IF ( DESID_N_SRM .GE. 1 ) \n & EMIS( :,1:DESID_LAYS ) = DTS * VDEMIS_DIFF( :,:,C,R )\n\n#ifdef isam\n SAEMIS = 0.0\n\n! modify ground emissions for bidirectional species (for bidi, PLVD > 0.0)\n IF ( SA_BIDI ) THEN\n SA_VDEMIS_DIFF( ISAM_INDEX_NH3,1,C,R,BIDITAG )\n & = PLDV(PLDV_INDEX_NH3,C,R) * Met_Data%RDEPVHT( C,R )\n END IF\n\n! collapse ISAM emissions array\n DO L = 1, DESID_LAYS\n DO ITAG = 1, NTAG_SA\n BOT = (ITAG-1)*NSPC_SA+1\n TOP = NSPC_SA*ITAG\n SAEMIS( BOT:TOP,L ) = DTS * SA_VDEMIS_DIFF( :,L,C,R,ITAG )\n END DO\n END DO\n#endif\n\n#ifdef sens\n S_EMIS = 0.0\n DO NP = 1, NPMAX\n S_EMIS( :,1:DESID_LAYS,NP ) = DTS * SVDEMIS_DIFF( :,:,C,R,NP )\n END DO\n#endif\n\n DO L = 1, NLAYS\n DFSP( L ) = DFACP * DZHI( L )\n DFSQ( L ) = DFACQ * DZHI( L )\n EDDY( L ) = SEDDY( L,C,R ) * DZFI(L)\n END DO\n\n RP = DFACP * Met_Data%RDEPVHT( C,R )\n RQ = DFACQ * Met_Data%RDEPVHT( C,R )\n DO V = 1, N_SPC_DEPV\n DDBF( V ) = DDEP( V,C,R )\n DEPVCR( V ) = DEPV( V,C,R )\n DD_FAC( V ) = DTDENS1 * DD_CONV( V ) * DEPVCR( V )\n EFAC1 ( V ) = EXP( -DEPVCR( V ) * RP )\n EFAC2 ( V ) = EXP( -DEPVCR( V ) * RQ )\n POL ( V ) = PLDV( V,C,R ) / DEPVCR( V )\n#ifdef sens\n DO NP = 1, NPMAX\n S_POL ( NP,V ) = S_PLDV( NP,V,C,R ) / DEPVCR( V )\n S_DDBF( V, NP ) = S_DDEP( V, C, R, NP )\n END DO\n#endif\n END DO\n PLDV_HONO = PLDV( HONO_HIT,C,R )\n#ifdef sens\n DO NP = 1, NPMAX\n S_PLDV_HONO( NP ) = S_PLDV( NP,HONO_HIT,C,R )\n END DO\n#endif\n\n#ifdef isam\n DO JSPCTAG = 1, N_SPCTAG\n SA_DDBF( JSPCTAG ) = SA_DDEP( C,R,JSPCTAG )\n END DO\n#endif\n\nC These don`t change in the NLP sub-time step loop:---------------------\n DO L = 1, NLAYS\n AA ( L ) = 0.0\n BB1( L ) = 0.0\n EE1( L ) = 0.0\n CC ( L ) = 0.0\n EE2( L ) = 0.0\n BB2( L ) = 0.0\n END DO\n IF ( Met_Data%CONVCT( C,R ) ) THEN\n L = 1\n DELP = Met_Data%PBL( C,R ) - Met_Data%ZF( C,R,L )\n BB1( L ) = 1.0 + DELP * DFSP( L ) * MBARKS( L )\n LFAC1( L ) = DFSQ( L ) * DELP * MBARKS( L )\n LFAC2( L ) = DFSQ( L ) * MDWN( L+1 ) * DZH( L+1 )\n DO L = 2, LCBL\n AA ( L ) = -DFACP * MBARKS( L )\n BB1( L ) = 1.0 + DFACP * MDWN( L )\n EE1( L ) = -DFSP( L-1 ) * DZH( L ) * MDWN( L )\n MFAC( L ) = DZH( L+1 ) * DZHI( L ) * MDWN( L+1 )\n END DO\n END IF\n\n DO L = 1, NLAYS\n EE2( L ) = - DFSP( L ) * EDDY( L )\n LFAC3( L ) = DFSQ( L ) * EDDY( L )\n END DO\n\n BB2( 1 ) = 1.0 - EE2( 1 )\n DO L = 2, NLAYS\n CC ( L ) = - DFSP( L ) * EDDY( L-1 )\n BB2( L ) = 1.0 - CC( L ) - EE2( L )\n LFAC4( L ) = DFSQ( L ) * EDDY( L-1 )\n END DO\n\n DO 301 NL = 1, NLP ! loop over sub time\n\n DO V = 1, N_SPC_DEPV\n\nC --------- HET HONO RX -----------------\n\nC Use special treatment for HNO3\nC HNO3 produced via the heterogeneous reaction sticks on surfaces and\nC is accounted as depositional loss; calculate increased deposition loss\n IF ( V .EQ. HNO3_HIT ) THEN\n S = HNO3_MAP\n CONC( S,1 ) = POL( V ) + ( CONC( S,1 ) - POL( V ) ) * EFAC1( V )\n DEPV_HNO3 = DEPVCR( V ) + PLDV_HONO / CONC( NO2_MAP,1 )\n DD_FAC( V ) = DTDENS1 * DD_CONV( V ) * DEPV_HNO3\n DDBF( V ) = DDBF( V ) + THETA * DD_FAC( V ) * CONC( S,1 )\n#ifdef sens\n DO NP = 1, NPMAX\n SENS( S,1,NP ) = S_POL( NP,V ) + ( SENS( S,1,NP ) - S_POL( NP,V ) ) * EFAC1( V )\n S_DDBF( V, NP ) = S_DDBF( V, NP ) + THETA * DD_FAC( V ) * SENS ( S,1,NP )\n END DO\n#endif\n\nC Use special treatment for NO2\nC Loss of NO2 via the heterogeneous reaction is accounted for as an additional\nC depositional loss. Add the loss of NO2 via the heterogeneous reaction\nC to the regular deposition velocity (increased dep. vel.). This will\nC reduce the NO2 conc. in the atmosphere without affecting the depositional loss.\n ELSE IF ( V .EQ. NO2_HIT ) THEN\n S = NO2_MAP\n DEPV_NO2 = DEPVCR( V ) + 2.0 * PLDV_HONO / CONC( S,1 )\n EFAC1 ( V ) = EXP( -DEPV_NO2 * RP )\n EFAC2 ( V ) = EXP( -DEPV_NO2 * RQ )\n POL ( V ) = PLDV( V,C,R ) / DEPV_NO2\n CONC( S,1 ) = POL( V ) + ( CONC( S,1 ) - POL( V ) ) * EFAC1( V )\n DDBF( V ) = DDBF( V ) + THETA * DD_FAC( V ) * CONC( S,1 )\n#ifdef sens\n DO NP = 1, NPMAX\n S_POL( NP, V ) = S_PLDV( NP,V,C,R ) / DEPV_NO2\n SENS( S,1,NP ) = S_POL( NP,V ) + ( SENS( S,1,NP ) - S_POL( NP,V ) ) * EFAC1( V )\n S_DDBF( V, NP ) = S_DDBF( V, NP ) + THETA * DD_FAC( V ) * SENS ( S,1,NP )\n END DO\n#endif\n\n ELSE IF ( V .EQ. HONO_HIT ) THEN\n S = HONO_MAP\n CONC( S,1 ) = POL( V ) + ( CONC( S,1 ) - POL( V ) ) * EFAC1( V )\n DDBF( V ) = DDBF( V ) + THETA * DD_FAC( V ) * CONC( S,1 )\nC Don't add HONO emissions as negative dep flux\n! & - DTDENS1 * DD_CONV( V ) * PLDV( V,C,R ) )\n#ifdef sens\n DO NP = 1, NPMAX\n SENS( S,1,NP ) = S_POL( NP,V ) + ( SENS( S,1,NP ) - S_POL( NP,V ) ) * EFAC1( V )\n S_DDBF( V, NP ) = S_DDBF( V, NP ) + THETA * DD_FAC( V ) * SENS ( S,1,NP )\n END DO\n#endif\n \nC --------- END of HET HONO RX ----------\n\n ELSE\n\nC Pass selected N species to the BDSNP Soil NO emissions scheme\n\n IF ( MGN_ONLN_DEP ) THEN\n\n IF(SPECLOG) then\n IF( V .eq. N_SPC_DEPV) THEN\n SPECLOG = .false. ! no need to do any species more than once\n WRITE( LOGDEV,*) 'BDSNP Species list complete', speclog\n END IF\n END IF\n\n IF ( (INDEX(TRIM( DV2DF_SPC( V ) ), 'NH3') .NE. 0) .OR.\n & (INDEX(TRIM( DV2DF_SPC( V ) ), 'NH4') .NE. 0) .OR. \n & (INDEX(TRIM( DV2DF_SPC( V ) ), 'HNO3').NE. 0) .OR.\n & (INDEX(TRIM( DV2DF_SPC( V ) ), 'NO3') .NE. 0) .OR.\n & (INDEX(TRIM( DV2DF_SPC( V ) ), 'NO2') .NE. 0) .OR.\n & (INDEX(TRIM( DV2DF_SPC( V ) ), 'PAN') .NE. 0)) THEN\n\n\n IF( SPECLOG ) THEN !write species each time it is used\n WRITE( LOGDEV,*) 'BDSNP Dry Species Used:', TRIM(DV2DF_SPC( V ) ), V, N_SPC_DEPV\n END IF\n\n IF ( ( DDBF(V)- DDEP( V,C,R) ) .LT. 0.0 ) THEN !negative error checking\n\n XMSG = 'Negative Deposition'\n! WRITE( LOGDEV,*) 'BDSNP Negative Deposition vdiff, variable:', \n! & TRIM( DV2DF_SPC( V )), ( DDBF(V)- DDEP( V,C,R) ), C, R \n! CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n CALL GET_N_DEP (DV2DF_SPC( V ), 0/\n & DTSEC, C, R )\n else\n CALL GET_N_DEP (DV2DF_SPC( V ), ( DDBF(V)- DDEP( V,C,R) )/\n & DTSEC, C, R )\n END IF !end negative error checking\n\n \n END IF !end species check\n \n END IF !end BDSNP check\n\n S = DV2DF( V )\n CONC( S,1 ) = POL( V ) + ( CONC( S,1 ) - POL( V ) ) * EFAC1( V )\n DDBF( V ) = DDBF( V ) + THETA * ( DD_FAC( V ) * CONC( S,1 ) \nC Add evasion as negative dep flux \n & - DTDENS1 * DD_CONV( V ) * PLDV( V,C,R ) ) \n\n#ifdef sens\n DO NP = 1, NPMAX\n SENS( S,1,NP ) = S_POL( NP,V ) + ( SENS( S,1,NP ) - S_POL( NP,V ) ) * EFAC1( V )\n S_DDBF( V, NP ) = S_DDBF( V, NP ) + THETA * ( DD_FAC( V ) * SENS( S, 1,NP )\n & - DTDENS1 * DD_CONV( V ) * S_PLDV( NP,V,C,R ) )\n END DO\n#endif\n\n END IF\n\n END DO\n \n DO L = 1, NLAYS\n DO V = 1, N_SPC_DIFF\n DD( V,L ) = 0.0\n UU( V,L ) = 0.0\n#ifdef sens\n DO NP = 1, NPMAX\n S_DD( V,L,NP) = 0.0\n S_UU( V,L,NP) = 0.0\n END DO\n#endif\n END DO\n END DO\n\n#ifdef isam\n DO JSPCTAG = 1, N_SPCTAG\n S = ISAM_DEPV( JSPCTAG )\n IF ( S .GT. 0 ) THEN\n SACONC( JSPCTAG,1 ) = SACONC( JSPCTAG,1 ) * EFAC1( S )\n & + SAFRAC( JSPCTAG ) * POL( S ) * ( 1.0 - EFAC1( S ) ) \n SA_DDBF( JSPCTAG ) = SA_DDBF( JSPCTAG )\n & + THETA * DD_FAC( S ) * SACONC( JSPCTAG,1 )\n END IF\n END DO\n\nc Recalculate bidi NH3 deposition\n IF ( ABFLUX .AND. SA_BIDI ) THEN\n NH3_SUM = 0.0\n DO JSPCTAG = 1, N_SPCTAG\n S = ISAM_DEPV( JSPCTAG )\n IF ( S .EQ. NH3_HIT ) NH3_SUM = NH3_SUM + SACONC( JSPCTAG,1 )\n END DO\n\n DO JSPCTAG = 1, N_SPCTAG\n S = ISAM_DEPV( JSPCTAG )\n IF ( S .EQ. NH3_HIT ) THEN\n IF( NH3_SUM .GT. 1.0E-25 ) THEN\n SA_DDBF( JSPCTAG ) = DDBF(NH3_HIT) * ( SACONC( JSPCTAG,1 ) / NH3_SUM )\n ELSE\n SA_DDBF( JSPCTAG ) = 0.0\n END IF\n END IF\n END DO\n END IF\n\n DO L = 1, NLAYS\n DO V = 1, N_SPCTAG\n SA_DD( V,L ) = 0.0\n SA_UU( V,L ) = 0.0\n END DO\n END DO\n#endif\n\nC Compute tendency of CBL concentrations - semi-implicit solution\nC Set MATRIX1 elements A (col 1), B (diag.), E (superdiag.) and D (RHS)\n\n IF ( Met_Data%CONVCT( C,R ) ) THEN\n\n L = 1\n DO V = 1, N_SPC_DIFF\n DD( V,L ) = CONC( V,L )\n & - LFAC1( L ) * CONC( V,L )\n & + LFAC2( L ) * CONC( V,L+1 ) \n#ifdef sens\n DO NP = 1, NPMAX\n S_DD( V,L,NP ) = SENS( V,L,NP )\n & - LFAC1( L ) * SENS( V,L,NP )\n & + LFAC2( L ) * SENS( V,L+1,NP )\n END DO\n#endif\n END DO\n\n#ifdef isam\n DO JSPCTAG = 1, N_SPCTAG\n SA_DD( JSPCTAG, L) = SACONC( JSPCTAG,L )\n & - LFAC1( L ) * SACONC( JSPCTAG,L )\n & + LFAC2( L ) * SACONC( JSPCTAG,L+1 )\n ENDDO\n#endif\n\n DO L = 2, LCBL\n DO V = 1, N_SPC_DIFF\n DELC = MBARKS( L ) * CONC( V,1 )\n & - MDWN( L ) * CONC( V,L )\n & + MFAC( L ) * CONC( V,L+1 )\n DD( V,L ) = CONC( V,L ) + DFACQ * DELC\n#ifdef sens \n DO NP = 1, NPMAX\n S_DELC = MBARKS( L ) * SENS( V,1,NP )\n & - MDWN( L ) * SENS( V,L,NP )\n & + MFAC( L ) * SENS( V,L+1,NP )\n S_DD( V,L,NP ) = SENS( V,L,NP ) + DFACQ * S_DELC\n END DO\n#endif \n END DO\n\n#ifdef isam\n DO JSPCTAG = 1, N_SPCTAG\n DELC = MBARKS( L ) * SACONC( JSPCTAG,1 )\n & - MDWN( L ) * SACONC( JSPCTAG,L )\n & + MFAC( L ) * SACONC( JSPCTAG,L+1 )\n SA_DD( JSPCTAG,L ) = SACONC( JSPCTAG,L ) + DFACQ * DELC\n END DO\n#endif\n\n END DO\n\n CALL MATRIX1 ( LCBL, AA, BB1, EE1, DD, UU )\n#ifdef isam \n CALL SA_MATRIX1( LCBL, AA, BB1,EE1, SA_DD, SA_UU)\n#endif\n\n#ifdef sens\n DO NP = 1, NPMAX\n CALL MATRIX1 ( LCBL, AA, BB1, EE1, S_DD(:,:,NP), S_UU(:,:,NP) )\n END DO\n#endif\n\n\nC update conc\n DO L = 1, LCBL\n DO V = 1, N_SPC_DIFF\n CONC( V,L ) = UU( V,L )\n#ifdef sens\n DO NP = 1, NPMAX\n SENS( V,L,NP ) = S_UU( V,L,NP )\n END DO\n#endif\n END DO\n#ifdef isam\n DO JSPCTAG = 1, N_SPCTAG\n SACONC ( JSPCTAG,L ) = SA_UU( JSPCTAG,L )\n ENDDO\n#endif\n END DO\n\nC reinitialize for TRI solver\n DO L = 1, NLAYS\n DO V = 1, N_SPC_DIFF\n DD( V,L ) = 0.0\n UU( V,L ) = 0.0\n#ifdef sens\n DO NP = 1, NPMAX\n S_DD( V,L,NP ) = 0.0\n S_UU( V,L,NP ) = 0.0\n END DO\n#endif\n END DO\n#ifdef isam\n DO JSPCTAG = 1, N_SPCTAG\n SA_DD( JSPCTAG,L ) = 0.0\n SA_UU( JSPCTAG,L ) = 0.0\n ENDDO\n#endif\n END DO\n\n END IF\n\n L = 1\n DO V = 1, N_SPC_DIFF\n DD( V,L ) = CONC( V,L )\n & + LFAC3( L ) * ( CONC( V,L+1 ) - CONC( V,L ) )\n & + EMIS( V,L )\n#ifdef sens\n DO NP = 1, NPMAX\n S_DD( V,L,NP ) = SENS( V,L,NP )\n & + LFAC3( L ) * ( SENS( V,L+1,NP ) - SENS( V,L,NP ) )\n & + S_EMIS( V,L,NP )\n END DO\n#endif\n END DO\n\n#ifdef isam\n DO JSPCTAG = 1, N_SPCTAG\n SA_DD( JSPCTAG,L ) = SACONC( JSPCTAG,L )\n & + LFAC3( L ) * ( SACONC( JSPCTAG,L+1 ) - SACONC( JSPCTAG,L ) )\n & + SAEMIS( JSPCTAG,L )\n END DO\n#endif\n\n DO L = 2, NLAYS-1\n DO V = 1, N_SPC_DIFF\n DD( V,L ) = CONC( V,L )\n & + LFAC3( L ) * ( CONC( V,L+1 ) - CONC( V,L ) )\n & - LFAC4( L ) * ( CONC( V,L ) - CONC( V,L-1 ) )\n & + EMIS( V,L )\n#ifdef sens \n DO NP = 1, NPMAX\n S_DD( V,L,NP ) = SENS( V,L,NP )\n & + LFAC3( L ) * ( SENS( V,L+1,NP ) - SENS( V,L,NP ) )\n & - LFAC4( L ) * ( SENS( V,L,NP ) - SENS( V,L-1,NP ) )\n & + S_EMIS( V,L,NP )\n END DO\n#endif\n END DO\n#ifdef isam\n DO JSPCTAG = 1, N_SPCTAG\n SA_DD( JSPCTAG,L ) = SACONC( JSPCTAG,L )\n & + LFAC3( L ) * ( SACONC( JSPCTAG,L+1 ) - SACONC( JSPCTAG,L ) )\n & - LFAC4( L ) * ( SACONC( JSPCTAG,L ) - SACONC( JSPCTAG,L-1 ) )\n & + SAEMIS( JSPCTAG,L )\n END DO\n#endif\n END DO\n\n L = NLAYS\n DO V = 1, N_SPC_DIFF\n DD( V,L ) = CONC( V,L )\n & - LFAC4( L ) * ( CONC( V,L ) - CONC( V,L-1 ) )\n#ifdef sens\n DO NP = 1, NPMAX\n S_DD( V,L,NP ) = SENS( V,L,NP )\n & - LFAC4( L ) * ( SENS( V,L,NP ) - SENS( V,L-1,NP ) )\n END DO\n#endif\n END DO\n#ifdef isam\n DO JSPCTAG = 1, N_SPCTAG\n SA_DD( JSPCTAG,L ) = SACONC( JSPCTAG,L )\n & - LFAC4( L ) * ( SACONC( JSPCTAG,L ) - SACONC( JSPCTAG,L-1 ) )\n END DO\n#endif\n\n CALL TRI ( CC, BB2, EE2, DD, UU )\n#ifdef isam\n CALL SA_TRI ( CC, BB2, EE2, SA_DD, SA_UU )\n#endif\n\n#ifdef sens\n DO NP = 1, NPMAX\n CALL TRI ( CC, BB2, EE2, S_DD(:,:,NP), S_UU(:,:,NP) )\n END DO\n#endif\n\n\nC Load into CGRID\n DO L = 1, NLAYS\n DO V = 1, N_SPC_DIFF\n CONC( V,L ) = UU( V,L )\n#ifdef sens\n DO NP = 1, NPMAX\n SENS( V,L,NP ) = S_UU( V,L,NP )\n END DO\n#endif\n END DO\n#ifdef isam\n DO JSPCTAG = 1, N_SPCTAG\n SACONC( JSPCTAG,L ) = SA_UU( JSPCTAG,L )\n END DO\n#endif\n END DO\n \n\n\n\n\n\n\n DO V = 1, N_SPC_DEPV\n\nC --------- HET HONO RX -----------------\n\n IF ( V .EQ. HNO3_HIT ) THEN\n S = HNO3_MAP\n CONC( S,1 ) = POL( V ) + ( CONC( S,1 ) - POL( V ) ) * EFAC2( V )\n DDBF( V ) = DDBF( V ) + THBAR * DD_FAC( V ) * CONC( S,1 )\n\n#ifdef sens\n DO NP = 1, NPMAX\n SENS( S,1,NP ) = S_POL( NP,V ) + ( SENS( S,1,NP ) - S_POL( NP,V ) ) * EFAC2( V )\n S_DDBF( V,NP ) = S_DDBF( V,NP ) + THBAR * DD_FAC( V ) * SENS( S,1,NP )\n END DO\n#endif\n\n ELSE IF ( V .EQ. NO2_HIT ) THEN\n S = NO2_MAP\n CONC( S,1 ) = POL( V ) + ( CONC( S,1 ) - POL( V ) ) * EFAC2( V )\n DDBF( V ) = DDBF( V ) + THBAR * DD_FAC( V ) * CONC( S,1 )\n\n#ifdef sens\n DO NP = 1, NPMAX\n SENS( S,1,NP ) = S_POL( NP,V ) + ( SENS( S,1,NP ) - S_POL( NP,V ) ) * EFAC2( V )\n S_DDBF( V,NP ) = S_DDBF( V,NP ) + THBAR * DD_FAC( V ) * SENS( S,1,NP )\n END DO\n#endif\n\n ELSE IF ( V .EQ. HONO_HIT ) THEN\n S = HONO_MAP\n CONC( S,1 ) = POL( V ) + ( CONC( S,1 ) - POL( V ) ) * EFAC2( V )\n DDBF( V ) = DDBF( V ) + THBAR * DD_FAC( V ) * CONC( S,1 )\nC Don't add HONO emissions as negative dep flux\n! & - DTDENS1 * DD_CONV( V ) * PLDV( V,C,R ) )\n#ifdef sens\n DO NP = 1, NPMAX\n SENS( S,1,NP ) = S_POL( NP,V ) + ( SENS( S,1,NP ) - S_POL( NP,V ) ) * EFAC2( V )\n S_DDBF( V,NP ) = S_DDBF( V,NP ) + THBAR * DD_FAC( V ) * SENS( S,1,NP )\n END DO\n#endif\n\nC --------- END of HET HONO RX ----------\n\n ELSE\n S = DV2DF( V )\n CONC( S,1 ) = POL( V ) + ( CONC( S,1 ) - POL( V ) ) * EFAC2( V )\n DDBF( V ) = DDBF( V ) + THBAR * ( DD_FAC( V ) * CONC( S,1 )\nC Add evasion as negative dep flux \n & - DTDENS1 * DD_CONV( V ) * PLDV( V,C,R ) )\n\n#ifdef sens\n DO NP = 1, NPMAX\n SENS( S,1,NP ) = S_POL( NP,V ) + ( SENS( S,1,NP ) - S_POL( NP,V ) ) * EFAC2( V )\n S_DDBF( V,NP ) = S_DDBF( V,NP ) + THBAR * ( DD_FAC( V ) * SENS( S,1,NP )\n & - DTDENS1 * DD_CONV( V ) * S_PLDV( NP,V,C,R ) )\n END DO\n#endif\n \n END IF\n\n END DO\n#ifdef isam\nC Update ISAM Dry Deposition\n DO JSPCTAG = 1, N_SPCTAG\n S = ISAM_DEPV( JSPCTAG )\n IF ( S .GT. 0 ) THEN\n SACONC( JSPCTAG,1 ) = SACONC( JSPCTAG,1 ) * EFAC2( S )\n & + SAFRAC( JSPCTAG ) * POL( S ) * ( 1.0 - EFAC2( S ) ) \n SA_DDBF( JSPCTAG ) = SA_DDBF( JSPCTAG )\n & + THBAR * DD_FAC( S ) * SACONC( JSPCTAG,1 )\n END IF\n END DO\n\nc Recalculate bidi NH3 deposition\n IF ( ABFLUX .AND. SA_BIDI ) THEN\n NH3_SUM = 0.0\n DO JSPCTAG = 1, N_SPCTAG\n S = ISAM_DEPV( JSPCTAG )\n IF ( S .EQ. NH3_HIT ) NH3_SUM = NH3_SUM + SACONC( JSPCTAG,1 )\n END DO\n\n DO JSPCTAG = 1, N_SPCTAG\n S = ISAM_DEPV( JSPCTAG )\n IF ( S .EQ. NH3_HIT ) THEN\n IF( NH3_SUM .GT. 1.0E-25 ) THEN\n SA_DDBF( JSPCTAG ) = DDBF(NH3_HIT) * ( SACONC( JSPCTAG,1 ) / NH3_SUM )\n ELSE\n SA_DDBF( JSPCTAG ) = 0.0\n END IF\n END IF\n END DO\n END IF\n#endif\n \n\n301 CONTINUE ! end sub time loop\n\n\n DO L = 1, NLAYS\n DO V = 1, N_SPC_DIFF\n CNGRD( DIFF_MAP( V ),L,C,R ) = CONC( V,L )\n END DO\n#ifdef isam\n DO JSPCTAG = 1, N_SPCTAG\n IF( TRANSPORT_SPC( JSPCTAG ) )THEN\n ISAM( C,R,L,S_SPCTAG( JSPCTAG ),T_SPCTAG( JSPCTAG ) ) = SACONC( JSPCTAG,L )\n END IF\n END DO\n \n#endif\n END DO\n\n DO V = 1, N_SPC_DEPV\n DDEP( V,C,R ) = DDBF( V )\n END DO\n\n#ifdef isam\n DO JSPCTAG = 1, N_SPCTAG\n SA_DDEP( C,R,JSPCTAG ) = SA_DDBF( JSPCTAG )\n END DO\n#endif\n\n#ifdef sens\n DO NP = 1, NPMAX\n\n DO L = 1, NLAYS\n DO V = 1, N_SPC_DIFF\n SNGRD( DIFF_MAP( V ),L,C,R,NP ) = SENS( V,L,NP )\n END DO\n END DO\n\n DO V = 1, N_SPC_DEPV\n S_DDEP( V,C,R,NP ) = S_DDBF( V,NP )\n END DO\n\n END DO\n#endif\n\n\n \n344 CONTINUE ! end loop on col C\n345 CONTINUE ! end loop on row R\n\n RETURN\n END\n" }, { "path": "CCTM/src/vdiff/acm2_m3dry/vdiffproc.F", "content": "!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE VDIFF ( CGRID, JDATE, JTIME, TSTEP )\n\nC-----------------------------------------------------------------------\nC Asymmetric Convective Model v2 (ACM2) -- Pleim(2006)\nC Function:\nC calculates and writes dry deposition.\nC calculates vertical diffusion\n\nC Subroutines and Functions Called:\nC SEC2TIME, TIME2SEC, WRITE3, NEXTIME,\nC M3EXIT, EDDYX, TRI, MATRIX, PA_UPDATE_EMIS, PA_UPDATE_DDEP\n\nC Revision History:\nC Analogous to VDIFFIM (Eddy diffusion PBL scheme)\n\nC 31 Jan 05 J.Young: dyn alloc - establish both horizontal & vertical\nC domain specifications in one module (GRID_CONF)\nC 7 Jun 05 P.Bhave: added call to OPSSEMIS if MECHNAME='AE4';\nC added TSTEP to RDEMIS_AE call vector\nC Aug 05 J. Pleim Update to v4.5\nC\nC Jan 06 J. Pleim ACM2 implementation\nC Jul 06 J.Young: emis module\nC Nov 06 B.Hutzell, J.Young: depv module\nC Mar 08 G.Sarwar: added heterogeneous reaction for HONO. It affects HONO, NO2 and HNO3\nC Apr 08 J.Young: optional inline beis and plume rise emissions\nC 21 Jun 10 J.Young: convert for Namelist redesign\nC 16 Feb 11 S.Roselle: replaced I/O API include files with UTILIO_DEFN\nC 10 May 11 J.Bash: updated for NH3 bidirectional exchange\nC 11 May 11 D.Wong: - incorporated twoway model implementation\nC 20 May 11 D.Schwede: modified to include mosaic\nC 15 Aug 11 D.Schwede and G. Sarwar: Modified HONO calculation so that deposition\nC velocity for NO2 that is output in DEPV file does not include the loss due\nC to the heterogeneous reaction.\nC This additional loss is now accounted for in vdiff.F\nC 14 Sep 11 J.Young: fix TSTEP bug in call to DEPV_INIT\nC 11 Apr 13 J.Young: fix double adjustment of conc for DDBF in heterogeneous HONO\nC if-then-else clauses; eliminate some white space\nC 13 May 13 J.Young: access met data from VDIFF_MET module\nC change CRANKP to THBAR, CRANKQ to THETA\nC 25 May 13 J.Young: re-do the acm/eddy algorithm for computational efficiency\nC 30 Apr 14 J.Young: switch THBAR and THETA\nC 2 May 14 J.Pleim, J.Young: replace the banded tridiagonal matrix solver for the\nC convective PBL, with the ACM1 matrix solver followed by the tridiagonal\nC matrix solver\nC 30 May 14 J.Young: split vdiff calculation out of vdiff proc.\nC 31 Jul 14 J.Young: incorporate gravitational settling for J-,K-mode aerosols\nC 07 Nov 14 J.Bash: Updated for the ASX_DATA_MOD shared data module. \nC 03 Jul 15 J.Young: put sedi stuff into a module\nC 13 Aug 15 J.Bash: updated for MP model\nC 15 Aug 15 D.Wong: - Replaced MYPE with IO_PE_INCLUSIVE for parallel I/O \nC implementation\nC - Added a block of code to allow non I/O processors\nC to open CTM_DRY_DEP_1, CTM_VSED_DIAG, CTM_VDIFF_DIAG,\nC CTM_DRY_DEP_MOS, and CTM_DRY_DEP_FST\nC 03 Mar 16 G.Sarwar: updated for halogen emissions\nC 16 Sep 16 J.Young: update for inline procan (IPR)\nC 02 Nov 2018: L.Zhou, S.Napelenok: isam implementation\nC 1 Feb 19 D.Wong: removed all MY_N clauses\nC 12 Dec 19 S.L.Napelenok: ddm-3d implementation for version 5.3.1\nC-----------------------------------------------------------------------\n\n USE CGRID_SPCS ! CGRID mechanism species\n USE GRID_CONF\n USE DESID_VARS, ONLY : VDEMIS_DIFF, DESID_LAYS\n USE DESID_MODULE, ONLY : DESID_INIT, DESID_DRIVER\n USE DEPV_DEFN\n USE ASX_DATA_MOD\n! USE MPAS_DATA_MOD\n USE VDIFF_MAP\n USE UTILIO_DEFN\n USE BIDI_MOD\n USE HGSIM\n! USE LSM_MOD, Only: n_lufrac\n USE SEDIMENTATION\n USE VDIFF_DIAG\n#ifdef mpas\n use mio_module\n use coupler_module\n USE util_module, only : sec2time, time2sec, nextime, index1\n USE centralized_io_module\n#else\n USE PA_UPDATE\n USE PA_DEFN, ONLY : LIPR, BUDGET_DIAG\n#endif\n\n#ifdef isam\n USE SA_DEFN, Only: ITAG, N_SPCTAG, VNAM_SPCTAG, SA_DDEP, SA_BIDI, ISAM, NTAG_SA, \n & S_SPCTAG, NSPC_SA, ISAM_SPEC, OTHRTAG\n#endif\n\n#ifdef sens\n USE DDM3D_DEFN, ONLY: NP, NPMAX, SENGRID, SPCNAME, S_DDEP, SNGRD, SENGRID_TEMP, SEN_PAR\n#endif \n\n IMPLICIT NONE\n\n INCLUDE SUBST_FILES_ID ! file name parameters\n\n CHARACTER( 120 ) :: XMSG = ' '\n\nC Arguments:\n\n REAL, POINTER :: CGRID( :,:,:,: ) ! concentrations\n\n INTEGER JDATE ! current model date, coded YYYYDDD\n INTEGER JTIME ! current model time, coded HHMMSS\n INTEGER TSTEP( 3 ) ! time step vector (HHMMSS)\n ! TSTEP(1) = local output step\n ! TSTEP(2) = sciproc sync. step (chem)\n ! TSTEP(3) = twoway model time step w.r.t. wrf time\n ! step and wrf/cmaq call frequency\n\nC Parameters:\n\nC External Functions: None\n\nC Local Variables: \n CHARACTER( 16 ), SAVE :: PNAME = 'VDIFFPROC'\n CHARACTER( 80 ) :: VARDESC ! env variable description\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n LOGICAL, SAVE :: WRITE_FIRSTIME = .TRUE.\n INTEGER, SAVE :: WSTEP = 0 ! local write counter\n INTEGER STATUS ! ENV... status\n\n REAL FCMSF ! loop local RMSFX4( C,R )\n\n REAL, ALLOCATABLE, SAVE :: CNGRD( :,:,:,: ) ! cgrid aero in mixing ratio\n REAL, ALLOCATABLE, SAVE :: DDEP ( :,:,: ) ! ddep accumulator\n REAL, ALLOCATABLE, SAVE :: DDEP0 ( :,:,: ) ! ddep initial before call to vdiffacmx\n REAL, ALLOCATABLE, SAVE :: NH3_EMIS0( :,: ) ! NH3_EMIS0 initial before call to get_depv\n REAL, ALLOCATABLE, SAVE :: ICMP ( :,:,: ) ! component flux accumlator \n REAL :: WRDD( NCOLS,NROWS ) ! ddep write buffer\n\n REAL, ALLOCATABLE, SAVE :: DDEP_PA ( :,:,: ) ! ddep for process analysis\n REAL, ALLOCATABLE, SAVE :: EMIS_PA( :,:,:,: ) ! emis for process analysis\n\n INTEGER, SAVE :: N_SPC_CGRID ! no. of CGRID species\n\n REAL :: EDDYV ( NCOLS,NROWS,NLAYS ) ! from EDYINTB\n REAL :: SEDDY ( NLAYS,NCOLS,NROWS ) ! flipped EDDYV\n REAL DTSEC ! model time step in seconds\n\n REAL :: NH3_FLUX( NCOLS,NROWS )\n\n REAL, ALLOCATABLE, SAVE :: VSED_AE( :,:,:,: )\n INTEGER, SAVE :: NH3_HIT\n\nC Local Variables\n#ifdef mpas\n CHARACTER (20) :: TIME_STAMP\n#endif\n\n\n! this is for creating the output name list\n character (512) :: fname\n character (30), allocatable, save :: name_list(:)\n character (30) :: oname\n character (120) :: buf, buf2\n integer, save :: loc_n\n integer :: loc_nvars, stat, n, k, fnum\n logical :: found\n\n INTEGER ASTAT\n INTEGER C, R, L, S, V, I, J, OFF ! loop induction variables\n INTEGER MDATE, MTIME, MSTEP ! internal simulation date&time\n CHARACTER(LEN=8), PARAMETER :: NAME_NH3_EMIS = 'NH3_Emis'\n CHARACTER(LEN=8), PARAMETER :: NAME_NH3_FLUX = 'NH3_Flux'\n CHARACTER(LEN=16) :: SPCBASE\n\n#ifdef isam\n REAL NH3_SUM\n REAL, ALLOCATABLE, SAVE :: NH3_TAG_FRACTION( : )\n INTEGER :: NH3_ISAM_IDX = 0\n INTEGER, ALLOCATABLE, SAVE :: ISAM_DEPV( : )\n INTEGER IBGN, JTAG\n CHARACTER( 16 ) :: ISAM_SPECIES\n\n INTEGER, SAVE :: NH3_DV2DF_SPC_IDX = 0\n\n#endif\n\n INTERFACE\n SUBROUTINE CONV_CGRID ( CGRID, JDATE, JTIME, CNGRD )\n REAL, POINTER :: CGRID( :,:,:,: )\n INTEGER, INTENT( IN ) :: JDATE, JTIME\n REAL, INTENT( INOUT ) :: CNGRD( :,:,:,: )\n END SUBROUTINE CONV_CGRID\n SUBROUTINE REV_CGRID ( CNGRD, JDATE, JTIME, CGRID )\n REAL, INTENT( INOUT ) :: CNGRD( :,:,:,: )\n INTEGER, INTENT( IN ) :: JDATE, JTIME\n REAL, POINTER :: CGRID( :,:,:,: )\n END SUBROUTINE REV_CGRID\n SUBROUTINE EDDYX ( EDDYV )\n REAL, INTENT( OUT ) :: EDDYV( :,:,: )\n END SUBROUTINE EDDYX\n SUBROUTINE VDIFFACMX( dtsec, seddy, ddep, icmp, cngrd)\n REAL, INTENT( IN ) :: dtsec\n REAL, INTENT( INOUT ) :: seddy( :,:,: )\n REAL, INTENT( INOUT ) :: ddep ( :,:,: )\n REAL, INTENT( INOUT ) :: icmp ( :,:,: )\n REAL, INTENT( INOUT ) :: cngrd( :,:,:,: )\n END SUBROUTINE VDIFFACMX\n#ifdef isam\n SUBROUTINE SA_OPWDDEP ( SADEPFILE, JDATE, JTIME, TSTEP )\n IMPLICIT NONE\n CHARACTER( 16 ) SADEPFILE ! Dry or wet dep file for tags\n INTEGER JDATE ! current model date, coded YYYYDDD\n INTEGER JTIME ! current model time, coded HHMMSS\n INTEGER TSTEP ! output time step\n END SUBROUTINE SA_OPWDDEP\n#endif\n END INTERFACE\n\nC-----------------------------------------------------------------------\n\n IF ( FIRSTIME ) THEN\n\n FIRSTIME = .FALSE.\n\n CALL LOG_HEADING( LOGDEV, \"Initialize Surface Exchange Module\" )\n\n IF ( .NOT. DEPV_INIT ( JDATE, JTIME, TSTEP, CGRID ) ) THEN\n XMSG = 'Failure initializing deposition velocities module'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n#ifndef mpas\n IF ( BUDGET_DIAG .OR. LIPR ) THEN\n ALLOCATE( NH3_EMIS0( NCOLS,NROWS), STAT = ASTAT )\n CALL CHECKMEM( ASTAT,'NH3_EMIS0',PNAME )\n END IF\n#endif\n\nC create global maps\n IF ( .NOT. VDIFF_MAP_INIT( ) ) THEN\n XMSG = 'Failure initializing index mapping module'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\nC Initialize the met data\n CALL INIT_MET( JDATE, JTIME )\n\n IF ( HGBIDI ) THEN ! Initialize HGSIM module\n CALL INIT_HGSIM(JDATE, JTIME)\n END IF\n\nC Set output file characteristics based on COORD.EXT and open the dry dep file\n IF ( IO_PE_INCLUSIVE ) THEN\n CALL OPDDEP ( JDATE, JTIME, TSTEP( 1 ), N_SPC_DDEP )\n#ifdef isam\n CALL SA_OPWDDEP ( SA_DD_1, JDATE, JTIME,TSTEP( 1 ) )\n#endif\n IF ( ABFLUX .OR. HGBIDI ) CALL OPASX_MEDIA( JDATE, JTIME, TSTEP( 1 ) )\n END IF\n\nC Open vdiff diagnostics file (ioapi header from cgrd)\n IF ( VDIFFDIAG ) THEN\n IF ( .NOT. VDIFF_DIAG_INIT ( JDATE, JTIME, TSTEP( 1 ), GRAV_SETL ) ) THEN\n XMSG = 'Failure initializing vdiff diagnostics module'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END IF\n\nC Allocate and initialize dry deposition array\n\n ALLOCATE ( DDEP( N_SPC_DEPV,NCOLS,NROWS ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating DDEP'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n DDEP = 0.0 ! array assignment\n \n ALLOCATE ( DDEP0( N_SPC_DEPV,NCOLS,NROWS ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating DDEP0'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n DDEP0 = 0.0 ! array assignment\n \n ALLOCATE ( ICMP( LCMP,NCOLS,NROWS ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating ICMP'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n ICMP = 0.0 ! array assignment\n\n CALL LOG_HEADING( LOGDEV, \"Initialize Emissions Module\" )\n\nC Allocate and initialize emissions\n IF ( .NOT. DESID_INIT ( JDATE, JTIME, TSTEP( 1 ) ) ) THEN\n XMSG = 'Failure initializing emissions module'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n#ifdef isam\n ALLOCATE ( SA_DDEP( NCOLS,NROWS,N_SPCTAG ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating SA_DDEP'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n SA_DDEP = 0.0\n#endif\n\nC Set up for budget accumulation and process analysis\n CALL LOG_HEADING( LOGDEV, \"Initialize Surface Exchange for Process Analysis\" )\n\n#ifndef mpas\n IF ( BUDGET_DIAG .OR. LIPR ) THEN\n ALLOCATE ( EMIS_PA( NCOLS,NROWS,NLAYS,N_CGRID_SPC ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'EMIS_PA memory allocation failed'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n ALLOCATE ( DDEP_PA( NCOLS,NROWS,N_CGRID_SPC ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'DDEP_PA memory allocation failed'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END IF\n#endif\n\nC Set up for grav. settling\n IF ( GRAV_SETL ) THEN\n CALL LOG_HEADING( LOGDEV, \"Set Up Gravitational Settling\" )\n\n ALLOCATE ( VSED_AE( N_AE_SPC,NLAYS,NCOLS,NROWS ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating VSED_AE'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END IF\n\n N_SPC_CGRID = SIZE ( CGRID,4 )\n\n ALLOCATE ( CNGRD( N_SPC_CGRID,NLAYS,NCOLS,NROWS ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating CNGRD'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n CNGRD = 0.0 ! array assignment\n \n NH3_HIT = 0\n DO V = 1, N_SPC_DDEP\n IF ( DDEP_SPC( V ) .EQ. 'NH3' ) NH3_HIT = V\n END DO\n\n#ifdef sens\n ALLOCATE ( S_DDEP( N_SPC_DEPV,NCOLS,NROWS,NPMAX ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating S_DDEP'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n S_DDEP = 0.0\n\n ALLOCATE ( SNGRD( N_SPC_CGRID,NLAYS,NCOLS,NROWS,NPMAX ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating SNGRD'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n SNGRD = 0.0\n#endif\n\n#ifdef isam\n IF ( SA_BIDI ) THEN\n NH3_ISAM_IDX = INDEX1( 'NH3', NSPC_SA, ISAM_SPEC(:,OTHRTAG) )\n ALLOCATE ( ISAM_DEPV( N_SPCTAG ), \n & NH3_TAG_FRACTION( NTAG_SA ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure Allocating ISAM variables in VDIFF'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n ISAM_DEPV = 0\n DO ITAG = 1, N_SPCTAG\n DO V = 1, N_SPC_DEPV\n ISAM_SPECIES = ISAM_SPEC( S_SPCTAG(ITAG),1 )\n IF ( TRIM( ISAM_SPECIES ) .EQ. DV2DF_SPC( V ) ) THEN\n ISAM_DEPV( ITAG ) = V\n END IF\n END DO\n END DO\n\n DO V = 1, N_SPC_DEPV\n IF ( DV2DF_SPC( V ) .EQ.'NH3' ) THEN\n NH3_DV2DF_SPC_IDX = V\n ENDIF\n END DO\n ENDIF\n#endif\n\n#ifdef mpas\n! this is for creating the output name list\n found = .false.\n fnum = 0\n do while ((.not. found) .and. (fnum < mio_outfile_def_info%num_of_file_definitions))\n fnum = fnum + 1\n if ('CTM_OUT' == mio_outfile_def_info%flist(fnum)%fname) then\n found = .true.\n end if\n end do\n if (.not. found) then\n write (logdev, *) ' Abort: file CTM_OUT not on the file_input.txt'\n stop\n end if\n\n loc_nvars = mio_outfile_def_info%flist(fnum)%nvars\n loc_n = 0\n if (found) then\n allocate (name_list(loc_nvars), stat=stat)\n do n = 1, loc_nvars\n buf = mio_outfile_def_info%flist(fnum)%vlist(n)\n found = .false.\n k = 0\n do while (.not. found)\n k = k + 1\n if (buf(k:k) == ' ') then\n found = .true.\n end if\n end do\n if (buf(1:3) == 'DD_') then\n loc_n = loc_n + 1\n name_list(loc_n) = buf(4:k-1)\n end if\n end do\n end if\n#endif\n\n END IF ! if Firstime\n\n MDATE = JDATE\n MTIME = JTIME\n MSTEP = TIME2SEC( TSTEP( 2 ) )\n DTSEC = FLOAT( MSTEP )\n CALL NEXTIME ( MDATE, MTIME, SEC2TIME( MSTEP / 2 ) )\n\nC Convert non-molar mixing ratio species and re-order CGRID\n CALL CONV_CGRID ( CGRID, MDATE, MTIME, CNGRD )\n\n#ifdef sens\n DO NP = 1, NPMAX\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n DO S = 1, N_SPC_CGRID\n SENGRID_TEMP( C,R,L,S ) = SENGRID( C,R,L,NP,S )\n END DO\n END DO\n END DO\n END DO\n CALL CONV_CGRID ( SENGRID_TEMP,MDATE, MTIME, SNGRD(:,:,:,:,NP) )\n END DO\n#endif\n\nC read & interpolate met data\n CALL GET_MET ( MDATE, MTIME, MSTEP )\n\nC read & interpolate deposition velocities\n#ifndef mpas\n IF ( BUDGET_DIAG .OR. LIPR ) NH3_EMIS0 = NH3_EMIS\n#endif\n CALL GET_DEPV ( MDATE, MTIME, TSTEP, CGRID ) \n\n IF ( GRAV_SETL ) THEN\nC Get gravitational settling velocity for the vsed aero species:\nC AERO_SEDV assumes that every aero species is dry deposited and is diffused (trns)\nC Calculate the changes in the layer J-,K-mode aerosol concentrations\n CALL SEDI( MDATE, MTIME, DTSEC, VSED_AE, CGRID, CNGRD )\n END IF\n\nC read & interpolate emissions data => VDEMIS_DIFF from EMIS_DEFN module\n CALL DESID_DRIVER ( MDATE, MTIME, TSTEP, CGRID )\n\n#ifdef mpas\n DO R = 1, NROWS\n DO C = 1, NCOLS\n DO L = 1, NLAYS\n SEDDY( L,C,R ) = g3ddata(C,R,L,eddy_ind)\n END DO\n END DO\n END DO\n\n#else\n\n IF ( BUDGET_DIAG .OR. LIPR ) THEN\n EMIS_PA = 0.0\n DO S = 1, N_SPC_DIFF\n DO L = 1, DESID_LAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n EMIS_PA( C,R,L,DIFF_MAP(S) ) = VDEMIS_DIFF( S,L,C,R )\n END DO\n END DO\n END DO\n END DO\n CALL PA_UPDATE_EMIS ( EMIS_PA, JDATE, JTIME, TSTEP )\n END IF\n\n CALL EDDYX ( EDDYV )\n\nC EDDYV returned = Kz, where Kz is in m**2/sec\n\n DO R = 1, NROWS\n DO C = 1, NCOLS\n! FCMSF = Grid_Data%RMSFX4( C,R )\n DO L = 1, NLAYS\n SEDDY( L,C,R ) = EDDYV( C,R,L )\n END DO\n END DO\n END DO\n#endif\n\n IF ( WSTEP .EQ. 0 ) THEN\n DDEP = 0.0 ! array assignment\n ICMP = 0.0 ! array assignment\n#ifdef sens\n S_DDEP = 0.0\n#endif\n END IF\n\nC Store Deposition Change in Budget and Process Analysis Arrays\n\n#ifndef mpas\n IF ( BUDGET_DIAG .OR. LIPR ) DDEP0 = DDEP\n#endif\n\nC Calculate the change in concentration and dry dep from vertical diffusion and vsed\nC Note: cngrd is the argument keyword (from the INTERFACE); CNGRD is the actual argument\n CALL VDIFFACMX( DTSEC, SEDDY, DDEP, ICMP, CNGRD )\n\n IF ( VDIFFDIAG ) THEN\n NTICS = NTICS + 1\n NLPCR_SUM = NLPCR_SUM + NLPCR_MEAN ! array assignment\n DO R = 1, NROWS\n DO C = 1, NCOLS\n NLPCR_MAX( C,R ) = MAX( NLPCR_MEAN( C,R ), NLPCR_MAX( C,R ) )\n NLPCR_MIN( C,R ) = MIN( NLPCR_MEAN( C,R ), NLPCR_MIN( C,R ) )\n END DO\n END DO\n IF ( GRAV_SETL ) THEN\n DTCCR_SUM = DTCCR_SUM + DTCCR_MEAN ! array assignment\n DO R = 1, NROWS\n DO C = 1, NCOLS\n DTCCR_MAX( C,R ) = MAX( DTCCR_MEAN( C,R ), DTCCR_MAX( C,R ) )\n DTCCR_MIN( C,R ) = MIN( DTCCR_MEAN( C,R ), DTCCR_MIN( C,R ) )\n END DO\n END DO\n END IF\n END IF\n \nC Store Deposition Change in Budget and Process Analysis Arrays\n#ifndef mpas\n IF ( BUDGET_DIAG .OR. LIPR ) THEN\n DDEP_PA = 0.0\n DO V = 1, N_SPC_DEPV\n IF ( ABFLUX .AND. V .EQ. DD2DV(NH3_HIT) ) THEN \n ! For Ammonia, take Bidirectional Flux into account\n ! if those processes are implemented\n DO R = 1, NROWS\n DO C = 1, NCOLS\n DDEP_PA( C,R,MAP_DEPVtoCGRID(V)) = DDEP( V,C,R ) - DDEP0( V,C,R )\n & + NH3_EMIS( C,R ) - NH3_EMIS0( C,R )\n END DO\n END DO\n ELSE\n ! All other species\n DO R = 1, NROWS\n DO C = 1, NCOLS\n DDEP_PA( C,R,MAP_DEPVtoCGRID(V)) = DDEP( V,C,R ) - DDEP0( V,C,R )\n END DO\n END DO\n END IF\n END DO\n CALL PA_UPDATE_DDEP ( DDEP_PA, JDATE, JTIME, TSTEP )\n END IF\n#endif\n \nC Revert non-molar mixing ratio species and re-order CGRID\n CALL REV_CGRID ( CNGRD, MDATE, MTIME, CGRID )\n\n#ifdef sens\n DO NP = 1, NPMAX\n CALL REV_CGRID ( SNGRD(:,:,:,:,NP), MDATE, MTIME, SENGRID_TEMP )\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n DO S = 1, N_SPC_CGRID\n SENGRID( C,R,L,NP,S ) = SENGRID_TEMP( C,R,L,S )\n END DO\n END DO\n END DO\n END DO\n END DO\n#endif\n\nC If last call this hour: write accumulated depositions:\n\n WSTEP = WSTEP + TIME2SEC( TSTEP( 2 ) )\n IF ( WSTEP .GE. TIME2SEC( TSTEP( 1 ) ) ) THEN\n MDATE = JDATE\n MTIME = JTIME\n CALL NEXTIME( MDATE, MTIME, TSTEP( 2 ) )\n WSTEP = 0\n\n#ifndef mpas\n#ifdef parallel_io\n IF ( WRITE_FIRSTIME ) THEN\n WRITE_FIRSTIME = .FALSE.\n\n IF ( .NOT. IO_PE_INCLUSIVE ) THEN\n IF ( .NOT. OPEN3( CTM_DRY_DEP_1, FSREAD3, PNAME ) ) THEN\n XMSG = 'Could not open ' // TRIM(CTM_DRY_DEP_1)\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n#ifdef sens\n IF ( .NOT. OPEN3( CTM_SDRYDEP_1, FSNONIO, PNAME ) ) THEN\n XMSG = 'Could not open ' // TRIM(CTM_SDRYDEP_1)\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n#endif \n\n END IF ! .NOT. IO_PE_INCLUSIVE\n END IF\n#endif\n#endif\n IF ( ABFLUX ) THEN\n DO R = 1, NROWS\n DO C = 1, NCOLS\n NH3_FLUX(C,R) = DDEP( DD2DV(NH3_HIT),C,R )\n DDEP( DD2DV(NH3_HIT),C,R ) = NH3_DDEP(C,R)\n NH3_EMIS(C,R) = DDEP( DD2DV(NH3_HIT),C,R ) - NH3_FLUX(C,R)\n END DO\n END DO\n#ifdef isam\n IF ( SA_BIDI ) THEN\n DO R = 1, NROWS\n DO C = 1, NCOLS\n NH3_SUM = 0.0\n DO ITAG = 1, NTAG_SA\n NH3_SUM = NH3_SUM + ISAM( C,R,1,NH3_ISAM_IDX,ITAG )\n END DO\n IF ( NH3_SUM .GT. 1.0E-25 ) THEN\n DO ITAG = 1, NTAG_SA\n NH3_TAG_FRACTION( ITAG ) = ISAM( C,R,1,NH3_ISAM_IDX,ITAG ) / NH3_SUM\n END DO\n ELSE\n NH3_TAG_FRACTION = 0.0\n END IF\n \n JTAG = 0 \n DO ITAG = 1, N_SPCTAG\n V = ISAM_DEPV( ITAG )\n IF ( V .EQ. NH3_DV2DF_SPC_IDX ) THEN\n JTAG = JTAG + 1\n SA_DDEP( C,R,ITAG ) = SA_DDEP( C,R,ITAG ) + NH3_TAG_FRACTION( JTAG ) * NH3_EMIS(C,R)\n END IF\n END DO\n END DO\n END DO\n END IF\n#endif\n ENDIF\n\n#ifdef mpas\n call mio_time_format_conversion (mdate, mtime, time_stamp)\n\n ctm_out_clock = time_stamp\n#endif\n\n DO V = 1, N_SPC_DDEP\n S = DD2DV( V )\n#ifdef mpas\n if ((loc_n > 0) .and. mpas_diag) then\n k = index1( DDEP_SPC( V ), loc_n, name_list)\n if (k .gt. 0) then\n oname = 'DD_' // DDEP_SPC( V )\n call mio_fwrite ('CTM_OUT', oname, pname, DDEP( S,:,1), TIME_STAMP)\n end if\n end if\n\n#else\n\n DO R = 1, NROWS\n DO C = 1, NCOLS\n WRDD( C,R ) = DDEP( S,C,R )\n END DO\n END DO\n\n IF ( .NOT. WRITE3( CTM_DRY_DEP_1, DDEP_SPC( V ),\n & MDATE, MTIME, WRDD ) ) THEN\n XMSG = 'Could not write ' // CTM_DRY_DEP_1 // ' file'\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n#endif\n END DO \n\n#ifndef mpas\nC Write extra arrays for NH3 emission and net flux for bidi\n IF ( ABFLUX ) THEN\n\n IF ( .NOT. WRITE3( CTM_DRY_DEP_1, NAME_NH3_FLUX,\n & MDATE, MTIME, NH3_FLUX ) ) THEN\n XMSG = 'Could not write ' // CTM_DRY_DEP_1 // ' file'\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n IF ( .NOT. WRITE3( CTM_DRY_DEP_1, NAME_NH3_EMIS,\n & MDATE, MTIME, NH3_EMIS ) ) THEN\n XMSG = 'Could not write ' // CTM_DRY_DEP_1 // ' file'\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n! must ensure the col/row being written to log is not larger than \n! the subdomain size for this PE. \n! WRITE( LOGDEV,*) ' NH3emis, drydep, flux=',NH3_EMIS(27,18),\n! & DDEP_NH3(27,18),DDEP( DD2DV(NH3_HIT),27,18)\n NH3_DDEP = 0.0\n END IF\n\n WRITE( LOGDEV, '( /5X, 3( A, :, 1X ), I8, \":\", I6.6 )' )\n & 'Timestep written to', CTM_DRY_DEP_1,\n & 'for date and time', MDATE, MTIME\n \nC Write vdiff diagnostics\n IF ( VDIFFDIAG ) THEN\n IF ( GRAV_SETL ) THEN ! Write vsed diagnostics\n\n DO V = 1, N_VSED\n S = VSED_MAP( V )\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n VSED_BUF( C,R,L,V ) = VSED_AE( S,L,C,R )\n END DO\n END DO\n END DO\n IF ( .NOT. WRITE3( CTM_VSED_DIAG, VSED_NAME( V ),\n & MDATE, MTIME, VSED_BUF( :,:,:,V ) ) ) THEN\n XMSG = 'Could not write ' // TRIM( VSED_NAME( V ) )\n & // ' to ' // CTM_VSED_DIAG\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n END DO\n\n WRITE( LOGDEV, '( /5X, 3( A, :, 1X ), I8, \":\", I6.6 )' )\n & 'Timestep written to', CTM_VSED_DIAG,\n & 'for date and time', MDATE, MTIME\n\n END IF ! GRAV_SETL\n\nC Write other diagnostics\n NLPCR_MEAN = NLPCR_SUM / FLOAT( NTICS )\n IF ( .NOT. WRITE3( CTM_VDIFF_DIAG, 'NLP_MEAN',\n & MDATE, MTIME, NLPCR_MEAN ) ) THEN\n XMSG = 'Could not write ' // 'NLP_MEAN to ' // CTM_VDIFF_DIAG\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n IF ( .NOT. WRITE3( CTM_VDIFF_DIAG, 'NLP_MAX',\n & MDATE, MTIME, NLPCR_MAX ) ) THEN\n XMSG = 'Could not write ' // 'NLP_MAX to ' // CTM_VDIFF_DIAG\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n IF ( .NOT. WRITE3( CTM_VDIFF_DIAG, 'NLP_MIN',\n & MDATE, MTIME, NLPCR_MIN ) ) THEN\n XMSG = 'Could not write ' // 'NLP_MIN to ' // CTM_VDIFF_DIAG\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n NLPCR_MAX = 0.0 ! array assignment\n NLPCR_MIN = 9.9E30 ! array assignment\n NLPCR_SUM = 0.0 ! array assignment\n\n IF ( GRAV_SETL ) THEN ! Write vsed diagnostics\n DTCCR_MEAN = DTCCR_SUM / FLOAT( NTICS )\n IF ( .NOT. WRITE3( CTM_VDIFF_DIAG, 'SEDI_DTC_MEAN',\n & MDATE, MTIME, DTCCR_MEAN ) ) THEN\n XMSG = 'Could not write ' // 'SEDI_DTC_MEAN to ' // CTM_VDIFF_DIAG\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n IF ( .NOT. WRITE3( CTM_VDIFF_DIAG, 'SEDI_DTC_MAX',\n & MDATE, MTIME, DTCCR_MAX ) ) THEN\n XMSG = 'Could not write ' // 'SEDI_DTC_MAX to ' // CTM_VDIFF_DIAG\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n IF ( .NOT. WRITE3( CTM_VDIFF_DIAG, 'SEDI_DTC_MIN',\n & MDATE, MTIME, DTCCR_MIN ) ) THEN\n XMSG = 'Could not write ' // 'SEDI_DTC_MIN to ' // CTM_VDIFF_DIAG\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n DTCCR_MAX = 0.0 ! array assignment\n DTCCR_MIN = 9.9E30 ! array assignment\n DTCCR_SUM = 0.0 ! array assignment\n END IF\n\n CNVCT = 0.0 ! array assignment\n DO R = 1, NROWS\n DO C = 1, NCOLS\n IF ( Met_Data%CONVCT( C,R ) ) CNVCT( C,R ) = 1.0\n END DO\n END DO\n IF ( .NOT. WRITE3( CTM_VDIFF_DIAG, 'CONVCT',\n & MDATE, MTIME, CNVCT ) ) THEN\n XMSG = 'Could not write ' // 'convct to ' // CTM_VDIFF_DIAG\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n\n IF ( .NOT. WRITE3( CTM_VDIFF_DIAG, 'LPBL',\n & MDATE, MTIME, REAL( Met_Data%LPBL ) ) ) THEN\n XMSG = 'Could not write ' // 'lpbl to ' // CTM_VDIFF_DIAG\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n\n WRITE( LOGDEV, '( /5X, 3( A, :, 1X ), I8, \":\", I6.6, I6 )' )\n & 'Timestep written to', CTM_VDIFF_DIAG,\n & 'for date and time (and ntics)', MDATE, MTIME, NTICS\n NTICS = 0\n\n END IF\n#endif\n \n IF ( ABFLUX .OR. HGBIDI ) THEN \n CALL WRASX_MEDIA( MDATE, MTIME )\n END IF \n\n\n#ifdef isam\n WRDD = 0.0\n DO ITAG = 1, N_SPCTAG\n DO R = 1, NROWS\n DO C = 1, NCOLS\n WRDD( C,R ) = SA_DDEP( C,R,ITAG )\n END DO\n END DO\n\n IF ( .NOT. WRITE3( SA_DD_1, VNAM_SPCTAG( ITAG ),\n & MDATE, MTIME, WRDD ) ) THEN\n XMSG = 'Could not write ' // SA_DD_1 // ' file'\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n END DO\n SA_DDEP = 0.0\n#endif\n\nC re-set dry deposition array to zero\n\n DDEP = 0.0\n ICMP = 0.0\n\n#ifdef sens\nC WT - write out dry deposition sensitivities\n DO V = 1, N_SPC_DDEP\n S = DD2DV( V )\n SPCBASE = DDEP_SPC( V )( 1:12 ) ! <- these lines have to\n! WRITE( LOGDEV,'(A)')'DDEP_SPC value: ' // TRIM( SPCBASE )\n DO NP = 1, NPMAX\n SPCNAME = TRIM( SPCBASE ) //'_' // SEN_PAR( NP ) ! <- match what is in opddep.F\n DO R = 1, NROWS\n DO C = 1, NCOLS\n WRDD( C,R ) = S_DDEP( S, C, R, NP )\n ENDDO\n ENDDO\n! WRITE( LOGDEV,'(A)')'WRITE3D for ' // TRIM( SPCNAME )\n\n IF ( .NOT. WRITE3( CTM_SDRYDEP_1, SPCNAME,\n & MDATE, MTIME, WRDD ) ) THEN\n XMSG = 'Could not write ' // CTM_SDRYDEP_1 // ' file'\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n\n ENDDO\n ENDDO\n WRITE( LOGDEV, '( /5X, 3( A, :, 1X ), I8, \":\", I6.6 )' )\n & 'Timestep written to', CTM_SDRYDEP_1,\n & 'for date and time', MDATE, MTIME\n\n S_DDEP = 0.0\n#endif\n\n END IF\n\n RETURN\n END\n" }, { "path": "CCTM/src/vdiff/acm2_stage/ASX_DATA_MOD.F", "content": "!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n Module ASX_DATA_MOD\n\nC-----------------------------------------------------------------------\nC Function: User-defined types\n\nC Revision History:\nC 19 Aug 2014 J.Bash: initial implementation\nC 17 July 2015 H.Foroutan: Updated the calculation of MOL, MOLI, HOL, and WSTAR\nC 25 Aug 2015 H. Pye: Added IEPOX, HACET surrogates\nC modified PROPNN and H2O2\nC Increased ar for ozone from 8 to 12.\nC Change meso from 0.1 to 0 for some org. nitrates\nC Changes based on Nguyen et al. 2015 PNAS and SOAS\nC\nC---------Notes\nC * Updates based on literature review 7/96 JEP\nC # Diff and H based on Wesely (1988) same as RADM\nC + Estimated by JEP 2/97\nC @ Updated by JEP 9/01\nC ~ Added by YW 1/02. Dif0 based on Massman (1998). Henry's Law constant\nC is defined here as: h=cg/ca, where cg is the concentration of a species\nC in gas-phase, and ca is its aqueous-phase concentration. The smaller h,\nC the larger solubility. Henry's Law constant in another definition (KH):\nC KH = ca/pg [M/atm], KH = KH0 * exp(-DKH/R(1/T-1/T0)), where KH0 and -DKH\nC values are from Rolf Sander (1999). h=1/(KH*R*T).\nC ** Update by DBS based on estimates by JEP 1/03\nC ^^ From Bill Massman, personal communication 4/03\nC ## Diffusivity calculated by SPARC, reactivity = other aldehydes\nC ++ Dif0 in Massman is diffusivity at temperature 0C and 1 atm (101.325kPa), so\nC chemicals that were not in Massman's paper need to be adjusted. We assume\nC JEP's original values were for 25C and 1 atm.\nC % Added by G. Sarwar (10/04)\nC $ Added by R. Bullock (02/05) HG diffusivity is from Massman (1999).\nC HGIIGAS diffusivity calculated from the HG value and a mol. wt. scaling\nC factor of MW**(-2/3) from EPA/600/3-87/015. ORD, Athens, GA. HGIIGAS\nC mol.wt. used is that of HgCl2. Reactivity of HG is 1/20th of NO and NO2\nC values based on general atmospheric lifetimes of each species. Reactivity\nC of HGIIGAS is based on HNO3 surrogate.\nC @@ Mesophyll resistances for NO, NO2, and CO added by J. Pleim (07/07) based\nC on values in Pleim, Venkatram, and Yamartino, 1984: ADOM/TADAP Model\nC Development Program, Volume 4, The Dry Deposition Module. ERT, Inc.,\nC Concord, MA (peer reviewed).\nC ~~ Reactivity for PAN changed from 4.0 to 16.0 by J. Pleim (07/07) based on\nC comparisons with Turnipseed et al., JGR, 2006.\nC %% Species ICL1 and ICL2 are removed, not used in CB05. G. Sarwar (07/07)\nC <> Hazardous Air Pollutants that are believed to undergo significant dry\nC deposition. Hydrazine and triethylamine reactivities are based on analogies\nC to NH3. Maleic anhydride reactivity is assumed similar to aldehydes.\nC Toluene diisocyanate and hexamethylene diisocyanate reactivities are\nC assumed to be similar to SO2. Diffusivities are calculated with standard\nC formulas. W. Hutzell (04/08)\nC %% G. Sarwar: added data for iodine and bromine species (03/2016)\nC D. Wong: Implemented centralized I/O approach, removed all MY_N clauses (02/2019)\nC R. Gilliam: Include PX soil texture information when available (03/2022)\nC-------------------------------------------------------------------------------\n\n Use GRID_CONF ! horizontal & vertical domain specifications\n Use LSM_MOD ! Land surface data\n use centralized_io_module\n\n Implicit None\n\n Include SUBST_CONST ! constants\n\n Type :: MET_Type\n!> 2-D meteorological fields:\n Real, Allocatable :: RDEPVHT ( :,: ) ! reciprocal layer 1 height [m-1]\n Real, Allocatable :: DENS1 ( :,: ) ! layer 1 air density\n Real, Allocatable :: PRSFC ( :,: ) ! surface pressure [Pa]\n Real, Allocatable :: Q2 ( :,: ) ! 2 meter water vapor mixing ratio [kg/kg]\n Real, Allocatable :: QSS_GRND ( :,: ) ! ground saturation water vapor mixing ratio [kg/kg]\n Real, Allocatable :: RH2 ( :,: ) ! relative humidity [percent]\n Real, Allocatable :: RA ( :,: ) ! aerodynamic resistance [s/m]\n Real, Allocatable :: RS ( :,: ) ! stomatal resistance [s/m]\n Real, Allocatable :: RC ( :,: ) ! convective precipitation [cm]\n Real, Allocatable :: RN ( :,: ) ! non-convective precipitation [cm]\n Real, Allocatable :: RGRND ( :,: ) ! Solar radiation at the ground [W/m**2]\n Real, Allocatable :: HFX ( :,: ) ! Sensible heat flux [W/m**2]\n Real, Allocatable :: LH ( :,: ) ! Latent heat flux [W/m**2]\n Real, Allocatable :: SNOCOV ( :,: ) ! Snow cover [1=yes, 0=no]\n Real, Allocatable :: TEMP2 ( :,: ) ! two meter temperature [K]\n Real, Allocatable :: TEMPG ( :,: ) ! skin temperature [K]\n Real, Allocatable :: TSEASFC ( :,: ) ! SST [K]\n Real, Allocatable :: USTAR ( :,: ) ! surface friction velocity [m/s]\n Real, Allocatable :: VEG ( :,: ) ! fractional vegetation coverage [ratio]\n Real, Allocatable :: LAI ( :,: ) ! grid cell leaf area index [m**2/m**2]\n Real, Allocatable :: WR ( :,: ) ! precip intercepted by canopy [m]\n Real, Allocatable :: WSPD10 ( :,: ) ! 10-m wind speed [m/s]\n Real, Allocatable :: WSTAR ( :,: ) ! convective velocity scale [m/s]\n Real, Allocatable :: Z0 ( :,: ) ! roughness length [m]\n Real, Allocatable :: SOIM1 ( :,: ) ! 1 cm soil moisture [m**3/m**3]\n Real, Allocatable :: SOIM2 ( :,: ) ! 1 m soil moisture [m**3/m**3]\n Real, Allocatable :: SOIT1 ( :,: ) ! 1 cm soil temperature [K]\n Real, Allocatable :: SOIT2 ( :,: ) ! 1 m soil temperature [K]\n Real, Allocatable :: SEAICE ( :,: ) ! Sea ice coverage [%]\n Real, Allocatable :: MOL ( :,: ) ! Monin-Obukhov length [m]\n Real, Allocatable :: MOLI ( :,: ) ! inverse of Monin-Obukhov length [m]\n Real, Allocatable :: HOL ( :,: ) ! PBL over Obukhov length\n Real, Allocatable :: XPBL ( :,: ) ! PBL sigma height\n Integer, Allocatable :: LPBL ( :,: ) ! PBL layer\n Logical, Allocatable :: CONVCT ( :,: ) ! convection flag\n Real, Allocatable :: PBL ( :,: ) ! pbl height (m)\n Real, Allocatable :: NACL_EMIS( :,: ) ! NACL mass emission rate of particles with d <10 um (g/m2/s)\n Real, Allocatable :: COSZEN ( :,: ) ! Cosine of the zenith angle\n Real, Allocatable :: CFRAC ( :,: ) ! cloud fraction\n!> U and V wind components on the cross grid points\n Real, Allocatable :: UWIND ( :,:,: ) ! [m/s]\n Real, Allocatable :: VWIND ( :,:,: ) ! [m/s] \n!> 3-D meteorological fields:\n Real, Allocatable :: KZMIN ( :,:,: ) ! minimum Kz [m**2/s]\n Real, Allocatable :: PRES ( :,:,: ) ! pressure [Pa]\n Real, Allocatable :: QV ( :,:,: ) ! water vapor mixing ratio\n Real, Allocatable :: QC ( :,:,: ) ! cloud water mixing ratio\n Real, Allocatable :: THETAV ( :,:,: ) ! potential temp\n Real, Allocatable :: TA ( :,:,: ) ! temperature (K)\n Real, Allocatable :: RH ( :,:,: ) ! relative humidity (ratio)\n Real, Allocatable :: ZH ( :,:,: ) ! mid-layer height above ground [m]\n Real, Allocatable :: ZF ( :,:,: ) ! layer height [m]\n Real, Allocatable :: DZF ( :,:,: ) ! layer thickness\n Real, Allocatable :: DENS ( :,:,: ) ! air density\n Real, Allocatable :: RJACM ( :,:,: ) ! reciprocal mid-layer Jacobian\n Real, Allocatable :: RJACF ( :,:,: ) ! reciprocal full-layer Jacobian\n Real, Allocatable :: RRHOJ ( :,:,: ) ! reciprocal density X Jacobian\n End Type MET_Type\n \n Type :: GRID_Type\n!> Grid infomation:\n!> Vertical information\n Real, Allocatable :: DX3F ( : ) ! sigma layer surface thickness ! vdiffacmx.F\n Real, Allocatable :: RDX3F ( : ) ! reciprocal sigma layer thickness ! EMIS_DEFN.F, sedi.F, vdiffacmx.F, vdiffproc.F\n Real, Allocatable :: RDX3M ( : ) ! reciprocal sigma midlayer thickness ! vdiffproc.F\n!> Horizontal Information:\n Real, Allocatable :: RMSFX4 ( :,: ) ! inverse map scale factor ** 4\n Real, Allocatable :: LON ( :,: ) ! longitude\n Real, Allocatable :: LAT ( :,: ) ! latitude\n Real, Allocatable :: LWMASK ( :,: ) ! land water mask\n Real, Allocatable :: OCEAN ( :,: ) ! Open ocean\n Real, Allocatable :: SZONE ( :,: ) ! Surf zone\n Real, Allocatable :: PURB ( :,: ) ! percent urban [%]\n Integer, Allocatable :: SLTYP ( :,: ) ! soil type [category]\n Real, Allocatable :: WSAT ( :,: ) ! volumetric soil saturation concentration\n Real, Allocatable :: WWLT ( :,: ) ! soil wilting point\n Real, Allocatable :: BSLP ( :,: ) ! B Slope \n Real, Allocatable :: WRES ( :,: ) ! Soil residual moisture point\n Real, Allocatable :: WFC ( :,: ) ! soil field capacity \n Real, Allocatable :: CLAY_PX ( :,: ) ! Clay fraction from PX LSM \n Real, Allocatable :: CSAND_PX ( :,: ) ! Coarse sand fraction from PX LSM\n Real, Allocatable :: FMSAND_PX( :,: ) ! Fine-medium sand fraction from PX LSM\n Real, Allocatable :: RHOB ( :,: ) ! soil bulk density\n Real, Allocatable :: LUFRAC ( :,:,: ) ! land use fraction (col,row,lu_type)[ratio]\nC Land use information:\n! Character( 16 ), Allocatable :: NAME ( : ) ! LU name\n! Character( 16 ), Allocatable :: LU_Type ( : ) ! general land use type e.g. water, forest, etc.\n End Type GRID_Type\n\n Type :: MOSAIC_Type ! (col,row,lu)\n Character( 16 ), Allocatable :: NAME ( : ) ! LU name\n Character( 16 ), Allocatable :: LU_Type ( : ) ! general land use type e.g. water, forest, etc.\n!> Sub grid cell meteorological variables:\n Real, Allocatable :: USTAR ( :,:,: ) ! surface friction velocity [m/s]\n Real, Allocatable :: LAI ( :,:,: ) ! leaf area index [m**2/m**2]\n Real, Allocatable :: VEG ( :,:,: ) ! vegetation fraction [ratio]\n Real, Allocatable :: Z0 ( :,:,: ) ! momentum roughness length [m]\n Real, Allocatable :: DELTA ( :,:,: ) ! Surface wetness [ratio]\n!> Sub grid cell resistances\n Real, Allocatable :: RA ( :,:,: ) ! aerodynamic resistance [s/m]\n Real, Allocatable :: RSTW ( :,:,: ) ! Stomatal Resistance of water [s/m]\n End Type MOSAIC_Type\n\n Type( MET_Type ), Save :: Met_Data \n Type( GRID_Type ), Save :: Grid_Data \n Type( MOSAIC_Type ), Save :: Mosaic_Data\n\n!> asx constants\n Real, Parameter :: a0 = 8.0 ! [dim'less]\n Real, Parameter :: d3 = 1.38564e-2 ! [dim'less]\n Real, Parameter :: dwat = 0.2178 ! [cm^2/s] at 273.15K\n Real, Parameter :: hplus_ap = 1.0e-6 ! pH=6.0 leaf apoplast solution Ph (Massad et al 2008) \n Real, Parameter :: hplus_def = 1.0e-5 ! pH=5.0\n Real, Parameter :: hplus_east = 1.0e-5 ! pH=5.0\n Real, Parameter :: hplus_h2o = 7.94328e-9 ! 10.0**(-8.1)\n Real, Parameter :: hplus_west = 3.16228e-6 ! 10.0**(-5.5)\n Real, Parameter :: kvis = 0.132 ! [cm^2 / s] at 273.15K\n Real, Parameter :: pr = 0.709 ! [dim'less]\n Real, Parameter :: rcut0 = 3000.0 ! [s/m]\n Real, Parameter :: rcw0 = 125000.0 ! acc'd'g to Padro and\n Real, Parameter :: resist_max = 1.0e30 ! maximum resistance\n Real, Parameter :: rg0 = 1000.0 ! [s/m]\n Real, Parameter :: rgwet0 = 25000.0 ! [s/m]\n Real, Parameter :: rsndiff = 10.0 ! snow diffusivity fac\n Real, Parameter :: rsnow0 = 1000.0\n Real, Parameter :: svp2 = 17.67 ! from MM5 and WRF\n Real, Parameter :: svp3 = 29.65 ! from MM5 and WRF\n Real, Parameter :: rt25inK = 1.0/(stdtemp + 25.0) ! 298.15K = 25C\n Real, Parameter :: twothirds = 2.0 / 3.0\n Real, Parameter :: betah = 5.0 ! MOST coefficient for stability correction for stable conditions \n Real, Parameter :: gamah = 16.0 ! MOST coefficient for stability correction for unstable conditions\n Real, Parameter :: karman = 0.40 ! von Karman constant\n\n Logical, Save :: MET_INITIALIZED = .false.\n Real, Save :: zsoil1 ! Layer 1 soil depth\n Real, Save :: zsoil2 ! Layer 2 soil depth\n Logical, Save :: CSTAGUV ! Winds are available with C stagger?\n\n Public :: INIT_MET, GET_MET\n\n Integer, Private :: C, R, L, S ! loop induction variables\n Integer, Private :: SPC\n Character( 16 ), Private, Save :: vname_rc, vname_rn, vname_uc, vname_vc\n\n Real, allocatable, Private :: BUFF1D( : ) ! 1D temp var number of layers\n Real, allocatable, Private :: BUFF2D( :,: ) ! 2D temp var\n Real, allocatable, Private :: BUFF3D( :,:,: ) ! 3D temp var\n\n CONTAINS\n\nC=======================================================================\n Subroutine INIT_MET ( JDATE, JTIME )\n\nC-----------------------------------------------------------------------\nC 30 Mar 01 J.Young: dyn alloc - Use HGRD_DEFN; replace INTERP3 with INTERPX;\nC allocatable RDEPVHT, RJACM, RRHOJ\nC 14 Nov 03 J.Young: add reciprocal vertical Jacobian product for full and\nC mid-layer\nC Tanya took JACOBF out of METCRO3D! Improvise\nC 31 Jan 05 J.Young: dyn alloc - establish both horizontal & vertical\nC domain specifications in one module\nC 16 Feb 11 S.Roselle: replaced I/O API include files with UTILIO_DEFN\nC 25 Jul 19 D.Wong: used N_SOIL_TYPE defined in LSM_Mod to handle\nC various number of soil type from different WRF version\nC-----------------------------------------------------------------------\n\n Use UTILIO_DEFN\n Use MOSAIC_MOD, Only: Init_Mosaic, Tile_Data\n Use LSM_Mod, only : N_SOIL_TYPE\n\n Implicit None\n \n Include SUBST_FILES_ID ! file name parameters\n\nC Arguments:\n Integer, Intent( IN ) :: JDATE, JTIME ! internal simulation date&time\n\nC File variables:\n Real, Pointer :: SOILCAT ( :,: )\n\nC Local variables:\n Character( 16 ) :: PNAME = 'INIT_MET'\n Character( 16 ) :: VNAME\n CHARACTER( 16 ) :: UNITSCK\n CHARACTER( 30 ) :: MSG1 = ' Error interpolating variable '\n Character( 96 ) :: XMSG = ' '\n\nC for INTERPX\n Integer V\n Integer ALLOCSTAT\n\nC-----------------------------------------------------------------------\n\n If ( MET_INITIALIZED ) Return\n\n!> Allocate buffers\n ALLOCATE ( BUFF1D( NLAYS ),\n & BUFF2D( NCOLS,NROWS ),\n & BUFF3D( NCOLS,NROWS,NLAYS ), STAT = ALLOCSTAT )\n If ( ALLOCSTAT .Ne. 0 ) Then\n XMSG = 'Failure allocating Buffers'\n Call M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n End If\n\n BUFF1D = 0.0\n BUFF2D = 0.0\n BUFF3D = 0.0\n\n!> Allocate shared arrays\n!> Met_Data\n ALLOCATE( Met_Data%RDEPVHT ( NCOLS,NROWS ),\n & Met_Data%DENS1 ( NCOLS,NROWS ),\n & Met_Data%PRSFC ( NCOLS,NROWS ),\n & Met_Data%Q2 ( NCOLS,NROWS ),\n & Met_Data%QSS_GRND ( NCOLS,NROWS ),\n & Met_Data%RH2 ( NCOLS,NROWS ),\n & Met_Data%RA ( NCOLS,NROWS ),\n & Met_Data%RS ( NCOLS,NROWS ),\n & Met_Data%RC ( NCOLS,NROWS ),\n & Met_Data%RN ( NCOLS,NROWS ),\n & Met_Data%RGRND ( NCOLS,NROWS ),\n & Met_Data%HFX ( NCOLS,NROWS ),\n & Met_Data%LH ( NCOLS,NROWS ),\n & Met_Data%SNOCOV ( NCOLS,NROWS ),\n & Met_Data%TEMP2 ( NCOLS,NROWS ),\n & Met_Data%TEMPG ( NCOLS,NROWS ),\n & Met_Data%TSEASFC ( NCOLS,NROWS ),\n & Met_Data%USTAR ( NCOLS,NROWS ),\n & Met_Data%VEG ( NCOLS,NROWS ),\n & Met_Data%LAI ( NCOLS,NROWS ),\n & Met_Data%WR ( NCOLS,NROWS ),\n & Met_Data%WSPD10 ( NCOLS,NROWS ),\n & Met_Data%WSTAR ( NCOLS,NROWS ),\n & Met_Data%Z0 ( NCOLS,NROWS ),\n & Met_Data%SOIM1 ( NCOLS,NROWS ),\n & Met_Data%SOIT1 ( NCOLS,NROWS ),\n & Met_Data%SEAICE ( NCOLS,NROWS ),\n & Met_Data%MOL ( NCOLS,NROWS ),\n & Met_Data%MOLI ( NCOLS,NROWS ),\n & Met_Data%HOL ( NCOLS,NROWS ),\n & Met_Data%XPBL ( NCOLS,NROWS ),\n & Met_Data%LPBL ( NCOLS,NROWS ),\n & Met_Data%CONVCT ( NCOLS,NROWS ),\n & Met_Data%PBL ( NCOLS,NROWS ),\n & Met_Data%NACL_EMIS( NCOLS,NROWS ),\n & Met_Data%COSZEN ( NCOLS,NROWS ),\n & Met_Data%CFRAC ( NCOLS,NROWS ),\n & Met_Data%UWIND ( NCOLS+1,NROWS+1,NLAYS ),\n & Met_Data%VWIND ( NCOLS+1,NROWS+1,NLAYS ),\n & Met_Data%KZMIN ( NCOLS,NROWS,NLAYS ),\n & Met_Data%PRES ( NCOLS,NROWS,NLAYS ),\n & Met_Data%QV ( NCOLS,NROWS,NLAYS ),\n & Met_Data%QC ( NCOLS,NROWS,NLAYS ),\n & Met_Data%THETAV ( NCOLS,NROWS,NLAYS ),\n & Met_Data%TA ( NCOLS,NROWS,NLAYS ),\n & Met_Data%RH ( NCOLS,NROWS,NLAYS ),\n & Met_Data%ZH ( NCOLS,NROWS,NLAYS ),\n & Met_Data%ZF ( NCOLS,NROWS,NLAYS ),\n & Met_Data%DZF ( NCOLS,NROWS,NLAYS ),\n & Met_Data%DENS ( NCOLS,NROWS,NLAYS ),\n & Met_Data%RJACM ( NCOLS,NROWS,NLAYS ),\n & Met_Data%RJACF ( NCOLS,NROWS,NLAYS ),\n & Met_Data%RRHOJ ( NCOLS,NROWS,NLAYS ),\n & STAT = ALLOCSTAT )\n If ( ALLOCSTAT .Ne. 0 ) Then\n XMSG = 'Failure allocating met vars'\n Call M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n End If\n\n\n ALLOCATE( Grid_Data%DX3F ( NLAYS ),\n & Grid_Data%RDX3F ( NLAYS ),\n & Grid_Data%RDX3M ( NLAYS ),\n & Grid_Data%RMSFX4 ( NCOLS,NROWS ),\n & Grid_Data%LON ( NCOLS,NROWS ),\n & Grid_Data%LAT ( NCOLS,NROWS ),\n & Grid_Data%LWMASK ( NCOLS,NROWS ),\n & Grid_Data%OCEAN ( NCOLS,NROWS ),\n & Grid_Data%SZONE ( NCOLS,NROWS ),\n & Grid_Data%PURB ( NCOLS,NROWS ),\n & Grid_Data%SLTYP ( NCOLS,NROWS ),\n & Grid_Data%WSAT ( NCOLS,NROWS ),\n & Grid_Data%WWLT ( NCOLS,NROWS ),\n & Grid_Data%BSLP ( NCOLS,NROWS ),\n & Grid_Data%WRES ( NCOLS,NROWS ),\n & Grid_Data%WFC ( NCOLS,NROWS ),\n & Grid_Data%CLAY_PX ( NCOLS,NROWS ),\n & Grid_Data%CSAND_PX ( NCOLS,NROWS ),\n & Grid_Data%FMSAND_PX ( NCOLS,NROWS ),\n & Grid_Data%RHOB ( NCOLS,NROWS ),\n & Grid_Data%LUFRAC ( NCOLS,NROWS,n_lufrac ),\n\n & STAT = ALLOCSTAT )\n If ( ALLOCSTAT .Ne. 0 ) Then\n XMSG = 'Failure allocating grid vars'\n Call M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n End If\n Grid_Data%WSAT = 0.0\n Grid_Data%WWLT = 0.0\n Grid_Data%WFC = 0.0\n Grid_Data%CLAY_PX = 0.0\n Grid_Data%CSAND_PX = 0.0\n Grid_Data%FMSAND_PX = 0.0\n Grid_Data%RHOB = 0.0\n Grid_Data%WRES = 0.0\n Grid_Data%BSLP = 0.0\n\n ALLOCATE( Met_Data%SOIM2 ( NCOLS,NROWS ),\n & Met_Data%SOIT2 ( NCOLS,NROWS ),\n & STAT = ALLOCSTAT )\n If ( ALLOCSTAT .Ne. 0 ) Then\n XMSG = 'Failure allocating mosaic met vars'\n Call M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n End If\n\n Grid_Data%WSAT = 0.0\n Grid_Data%WWLT = 0.0\n Grid_Data%WFC = 0.0\n Grid_Data%RHOB = 0.0\n Grid_Data%WRES = 0.0\n Grid_Data%BSLP = 0.0\n\n!> ccccccccccccccccccccc enable backward compatiblity ccccccccccccccccccccc\n\n IF (RCA_AVAIL) THEN\n vname_rc = 'RCA'\n Else\n vname_rc = 'RC'\n End If\n\n IF (RNA_AVAIL) THEN\n vname_rn = 'RNA'\n Else\n vname_rn = 'RN'\n End If\n\n If (UWINDC_AVAIL) Then\n vname_uc = 'UWINDC'\n CSTAGUV = .TRUE.\n Else\n vname_uc = 'UWIND'\n CSTAGUV = .FALSE.\n End If\n\n If (VWINDC_AVAIL) Then\n vname_vc = 'VWINDC'\n Else\n vname_vc = 'VWIND'\n End If\n\n If ( .Not. MINKZ ) Then\n XMSG = 'This run uses Kz0UT, *NOT* KZMIN in subroutine edyintb.'\n Write( LOGDEV,'(/5X, A, /)' ) XMSG\n End If\n\n!> Open the met files\n \n Do L = 1, NLAYS\n Grid_Data%DX3F( L ) = X3FACE_GD( L ) - X3FACE_GD( L-1 )\n Grid_Data%RDX3F( L ) = 1.0 / Grid_Data%DX3F( L )\n BUFF1D( L ) = 0.5 * ( X3FACE_GD( L ) + X3FACE_GD( L-1 ) )\n End Do\n Do L = 1, NLAYS - 1\n Grid_Data%RDX3M( L ) = 1.0 / ( BUFF1D( L+1 ) - BUFF1D( L ) )\n End Do\n Grid_Data%RDX3M( NLAYS ) = 0.0\n\n!> reciprical of msfx2**2\n Grid_Data%RMSFX4 = 1.0 / ( MSFX2**2 )\n\n Grid_Data%LON = LON\n\n Grid_Data%LAT = LAT\n\n Grid_Data%LWMASK = LWMASK\n\n Grid_Data%PURB = PURB\n\n Grid_Data%SLTYP = NINT( SOILCAT_A )\n\n Grid_Data%LUFRAC = LUFRAC\n\n If( PX_LSM ) Then\n Write(Logdev,*) 'MCIP/WRF used the PX LSM'\n zsoil1 = 0.01\n zsoil2 = 0.05 ! For abflux estimated from 1cm and 1 meter \n! Estimate a constistent soil hydrolic suction at saturation using the JN90 properties to\n! calculate soil hydrolic proerties constistant with JN90 data. Note that the suction at \n! feild capacity is typically 33 kPa, wilting point is 1500 kPa and residual water content\n! is between 1.0e5 and 1.0e6 kPa and 3.0e5 kPa is used here following Campbell and Norman 1998 \n Psi_Sat =1500.0 * ( WWLT_PX / WSAT_PX )**BSLP_PX \n WFC_PX = WSAT_PX * ( 33.0 / Psi_sat )**(-1.0/BSLP_PX)\n WRES_PX = WSAT_PX * ( 3.0e5 / Psi_sat )**(-1.0/BSLP_PX)\n\n Forall( C = 1:NCOLS, R = 1:NROWS, Grid_Data%SLTYP(C,R) .Le. N_SOIL_TYPE )\n Grid_Data%WSAT( C,R ) = WSAT_PX( Grid_Data%SLTYP( C,R ) )\n Grid_Data%WWLT( C,R ) = WWLT_PX( Grid_Data%SLTYP( C,R ) )\n Grid_Data%WFC ( C,R ) = WFC_PX ( Grid_Data%SLTYP( C,R ) )\n Grid_Data%WRES( C,R ) = WRES_PX( Grid_Data%SLTYP( C,R ) )\n Grid_Data%BSLP( C,R ) = BSLP_PX( Grid_Data%SLTYP( C,R ) )\n Grid_Data%RHOB( C,R ) = RHOB_PX( Grid_Data%SLTYP( C,R ) )\n End Forall\n! for cases where the default soil is water but fractional land use may not be water\n! use sandy loam\n Forall( C = 1:NCOLS, R = 1:NROWS, Grid_Data%SLTYP(C,R) .Gt. N_SOIL_TYPE )\n Grid_Data%WSAT( C,R ) = WSAT_PX( 3 )\n Grid_Data%WWLT( C,R ) = WWLT_PX( 3 )\n Grid_Data%WFC ( C,R ) = WFC_PX ( 3 )\n Grid_Data%WRES( C,R ) = WRES_PX( 3 )\n Grid_Data%BSLP( C,R ) = BSLP_PX( 3 )\n Grid_Data%RHOB( C,R ) = RHOB_PX( 3 )\n End Forall\n Else If( Noah_LSM ) Then\n Write(Logdev,*) 'MCIP/WRF used the Noah LSM'\n zsoil1 = 0.01 ! Adjusted based on Darmenova et al. 2009 doi:10.1029/2008JD011236\n zsoil2 = 0.05 ! For abflux estimated from 1cm and 1 meter \n Forall( C = 1:NCOLS, R = 1:NROWS )\n Grid_Data%WSAT( C,R ) = WSAT_NOAH( Grid_Data%SLTYP( C,R ) )\n Grid_Data%WWLT( C,R ) = WWLT_NOAH( Grid_Data%SLTYP( C,R ) )\n Grid_Data%WFC ( C,R ) = WFC_NOAH ( Grid_Data%SLTYP( C,R ) )\n Grid_Data%WRES( C,R ) = WRES_NOAH( Grid_Data%SLTYP( C,R ) )\n Grid_Data%BSLP( C,R ) = BSLP_NOAH( Grid_Data%SLTYP( C,R ) )\n Grid_Data%RHOB( C,R ) = RHOB_NOAH( Grid_Data%SLTYP( C,R ) )\n End Forall\n Else If( CLM_LSM ) Then\n Write(Logdev,*) 'MCIP/WRF used the CLM LSM'\n zsoil1 = 0.0175\n zsoil2 = 0.0451\n Forall( C = 1:NCOLS, R = 1:NROWS )\n Grid_Data%WSAT( C,R ) = WSAT_CLM( Grid_Data%SLTYP( C,R ) )\n Grid_Data%WWLT( C,R ) = WWLT_CLM( Grid_Data%SLTYP( C,R ) )\n Grid_Data%WFC ( C,R ) = WFC_CLM ( Grid_Data%SLTYP( C,R ) )\n Grid_Data%WRES( C,R ) = WRES_CLM( Grid_Data%SLTYP( C,R ) )\n Grid_Data%BSLP( C,R ) = BSLP_CLM( Grid_Data%SLTYP( C,R ) )\n Grid_Data%RHOB( C,R ) = RHOB_CLM( Grid_Data%SLTYP( C,R ) )\n End Forall \n End If\n\n Grid_Data%OCEAN = ocean\n\n Grid_Data%SZONE = szone\n\n CALL INIT_MOSAIC( JDATE, JTIME, Grid_Data%LUFRAC )\n\n ALLOCATE( Mosaic_Data%USTAR ( NCOLS,NROWS,Tile_Data%n_lufrac ),\n & Mosaic_Data%LAI ( NCOLS,NROWS,Tile_Data%n_lufrac ),\n & Mosaic_Data%DELTA ( NCOLS,NROWS,Tile_Data%n_lufrac ),\n & Mosaic_Data%VEG ( NCOLS,NROWS,Tile_Data%n_lufrac ),\n & Mosaic_Data%Z0 ( NCOLS,NROWS,Tile_Data%n_lufrac ),\n & Mosaic_Data%RA ( NCOLS,NROWS,Tile_Data%n_lufrac ),\n & Mosaic_Data%RSTW ( NCOLS,NROWS,Tile_Data%n_lufrac ),\n & Mosaic_Data%NAME ( Tile_Data%n_lufrac ),\n & Mosaic_Data%LU_Type ( Tile_Data%n_lufrac ),\n & STAT = ALLOCSTAT )\n If ( ALLOCSTAT .Ne. 0 ) Then\n XMSG = 'Failure allocating mosaic vars'\n Call M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n End If\n Mosaic_Data%USTAR = 0.0\n Mosaic_Data%LAI = 0.0\n Mosaic_Data%DELTA = 0.0\n Mosaic_Data%VEG = 0.0\n Mosaic_Data%Z0 = 0.0\n Mosaic_Data%RSTW = 1.0e6\n Mosaic_Data%RA = 1.0e6\n Mosaic_Data%NAME = Tile_Data%name_lu\n Mosaic_Data%LU_Type = Tile_Data%cat_lu \n\n MET_INITIALIZED = .true.\n\n Return\n End Subroutine INIT_MET\n\nC=======================================================================\n Subroutine GET_MET ( JDATE, JTIME, TSTEP )\n\nC-----------------------------------------------------------------------\nC 30 Mar 01 J.Young: dyn alloc - Use HGRD_DEFN; replace INTERP3 with INTERPX;\nC allocatable RDEPVHT, RJACM, RRHOJ\nC 14 Nov 03 J.Young: add reciprocal vertical Jacobian product for full and\nC mid-layer\nC Tanya took JACOBF out of METCRO3D! Improvise\nC 31 Jan 05 J.Young: dyn alloc - establish both horizontal & vertical\nC domain specifications in one module\nC 16 Feb 11 S.Roselle: replaced I/O API include files with UTILIO_DEFN\nC-----------------------------------------------------------------------\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n Use UTILIO_DEFN\n USE MOSAIC_MOD\n#ifdef parallel\n USE SE_MODULES ! stenex (using SE_COMM_MODULE)\n#else\n USE NOOP_MODULES ! stenex (using NOOP_COMM_MODULE)\n#endif\n\n Implicit None\n \n Include SUBST_FILES_ID ! file name parameters\n Include SUBST_PE_COMM ! PE communication displacement and direction\n\nC Arguments:\n\n Integer, Intent( IN ) :: JDATE, JTIME, TSTEP ! internal simulation date&time\n\nC Parameters:\n Real, Parameter :: cond_min = 1.0 / resist_max ! minimum conductance [m/s]\n Real, Parameter :: KZMAXL = 500.0 ! upper limit for min Kz [m]\n Real, Parameter :: KZ0UT = 1.0 ! minimum eddy diffusivity [m**2/sec] KZ0\n Real, Parameter :: KZL = 0.01 ! lowest KZ\n Real, Parameter :: KZU = 1.0 ! 2.0 ! highest KZ\n Real, Parameter :: EPS = 1.0E-08 ! small number for temperature difference\n\nC Local variables:\n Real FINT\n Real CPAIR, LV, QST \n Real TMPFX, TMPVTCON, TST, TSTV\n Integer LP\n Integer C, R, L ! loop induction variables\n\n Character( 16 ) :: PNAME = 'GET_MET'\n Character( 16 ) :: VNAME\n CharactER( 30 ) :: MSG1 = ' Error interpolating variable '\n Character( 96 ) :: XMSG = ' '\n\nC-----------------------------------------------------------------------\nC Check consistency with WRF LSM and CMAQ options\nC-----------------------------------------------------------------------\n If( .Not. PX_LSM .And. .Not. CLM_LSM .And. .Not. NOAH_LSM ) Then\n XMSG = 'WRF LSM is not supported. PX, CLM and NOAH are supported'\n Call M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n If( ABFLUX ) Then\n XMSG = 'NH3 bidirectional exchange is not supported using this WRF LSM option. Set CTM_ABFLUX to N.'\n Call M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n End IF\n If( HGBIDI ) Then\n XMSG = 'Hg bidirectional exchange is not supported using this WRF LSM option. Set CTM_HGBIDI to N.'\n Call M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n End IF\n End IF\n\nC-----------------------------------------------------------------------\nC Interpolate file input variables and format for output\nC-------------------------------- MET_CRO_3D --------------------------------\n \n call interpolate_var ('ZH', jdate, jtime, Met_Data%ZH)\n\n call interpolate_var ('PRES', jdate, jtime, Met_Data%PRES)\n\n call interpolate_var ('ZF', jdate, jtime, Met_Data%ZF)\n\n call interpolate_var ('DENS', jdate, jtime, Met_Data%DENS)\n\n Met_Data%DENS1 = Met_Data%DENS( :,:,1 )\n\n call interpolate_var ('JACOBM', jdate, jtime, Met_Data%RJACM)\n \n Met_Data%RJACM = 1.0 / Met_Data%RJACM\n\n call interpolate_var ('JACOBF', jdate, jtime, Met_Data%RJACF)\n\n Met_Data%RJACF = 1.0 / Met_Data%RJACF\n\n call interpolate_var ('DENSA_J', jdate, jtime, Met_Data%RRHOJ)\n\n Met_Data%RRHOJ = 1.0 / Met_Data%RRHOJ\n\n call interpolate_var ('TA', jdate, jtime, Met_Data%TA)\n\n call interpolate_var ('QV', jdate, jtime, Met_Data%QV)\n\n call interpolate_var ('QC', jdate, jtime, Met_Data%QC)\n\nC-------------------------------- MET_CRO_2D --------------------------------\nC Vegetation and surface vars\n call interpolate_var ('LAI', jdate, jtime, Met_Data%LAI)\n\n call interpolate_var ('VEG', jdate, jtime, Met_Data%VEG)\n\n call interpolate_var ('ZRUF', jdate, jtime, Met_Data%Z0)\n\nC Soil vars\n call interpolate_var ('SOIM1', jdate, jtime, Met_Data%SOIM1)\n\n call interpolate_var ('SOIM2', jdate, jtime, Met_Data%SOIM2)\n\n call interpolate_var ('SOIT2', jdate, jtime, Met_Data%SOIT2)\n\n call interpolate_var ('SOIT1', jdate, jtime, Met_Data%SOIT1)\n\n call interpolate_var ('SEAICE', jdate, jtime, Met_Data%SEAICE)\n\nC met vars\n\n call interpolate_var ('PRSFC', jdate, jtime, Met_Data%PRSFC)\n\n call interpolate_var ('RGRND', jdate, jtime, Met_Data%RGRND)\n\n call interpolate_var ('SNOCOV', jdate, jtime, Met_Data%SNOCOV)\n\n Where( Met_Data%SNOCOV .Lt. 0.0 )\n Met_Data%SNOCOV = 0.0\n End Where\n\n call interpolate_var ('TEMP2', jdate, jtime, Met_Data%TEMP2)\n\n call interpolate_var ('TEMPG', jdate, jtime, Met_Data%TEMPG)\n\n call interpolate_var ('USTAR', jdate, jtime, Met_Data%USTAR)\n\n call interpolate_var ('WSPD10', jdate, jtime, Met_Data%WSPD10)\n\n call interpolate_var ('HFX', jdate, jtime, Met_Data%HFX)\n\n If ( LH_AVAIL ) Then\n call interpolate_var ('LH', jdate, jtime, Met_Data%LH)\n Else ! for backward compatibility\n call interpolate_var ('QFX', jdate, jtime, Met_Data%LH)\n End If\n\n call interpolate_var ('PBL', jdate, jtime, Met_Data%PBL)\n\nC Update for WRFV4.1+ PX LSM runs that have soil texture in output for\nC CMAQ dust scheme. These are initialized to 0 if not present in MCIP.\nC DUST_EMIS.F will use table lookup values if 0 (old WRF or other LSMs). \n If ( PXSOIL_AVAIL ) Then\n call interpolate_var ('CLAY_PX', jdate, jtime, Grid_Data%CLAY_PX)\n call interpolate_var ('CSAND_PX', jdate, jtime, Grid_Data%CSAND_PX)\n call interpolate_var ('FMSAND_PX', jdate, jtime, Grid_Data%FMSAND_PX)\n call interpolate_var ('WSAT_PX', jdate, jtime, Grid_Data%WSAT)\n call interpolate_var ('WFC_PX', jdate, jtime, Grid_Data%WFC)\n call interpolate_var ('WWLT_PX', jdate, jtime, Grid_Data%WWLT)\n End If\n\nC Met_cro_2D variables that have recently changed due to MCIP or WRF/CMAQ\n\n call interpolate_var (vname_rn, jdate, jtime, Met_Data%RN)\n\n call interpolate_var (vname_rc, jdate, jtime, Met_Data%RC)\n\n call interpolate_var ('CFRAC', jdate, jtime, Met_Data%CFRAC)\n\n If ( WR_AVAIL ) Then\n call interpolate_var ('WR', jdate, jtime, Met_Data%WR)\n Else \n Met_Data%WR = 0.0 \n End If\n\n If ( TSEASFC_AVAIL ) Then\n call interpolate_var ('TSEASFC', jdate, jtime, Met_Data%TSEASFC)\n Else\n Met_Data%TSEASFC = Met_Data%TEMPG\n End If\n\n If ( .not. RA_RS_AVAIL ) Then\n call interpolate_var ('RADYNI', jdate, jtime, Met_Data%RA)\n\n Where( Met_Data%RA .Gt. cond_min ) \n Met_Data%RA = 1.0/Met_Data%RA\n Elsewhere\n Met_Data%RA = resist_max\n End Where\n\n call interpolate_var ('RSTOMI', jdate, jtime, Met_Data%RS)\n\n Where( Met_Data%RS .Gt. cond_min ) \n Met_Data%RS = 1.0 / Met_Data%RS\n Elsewhere \n Met_Data%RS = resist_max\n End Where\n\n Else \n\n call interpolate_var ('RA', jdate, jtime, Met_Data%RA)\n\n call interpolate_var ('RS', jdate, jtime, Met_Data%RS)\n\n End If\n\n If ( Q2_AVAIL ) Then ! Q2 in METCRO2D\n call interpolate_var ('Q2', jdate, jtime, Met_Data%Q2)\n Else\n Met_Data%Q2 = Met_Data%QV( :,:,1 )\n End If\n \n Where( Met_Data%TEMPG .Lt. stdtemp )\n BUFF2D = vp0 *Exp( 22.514 - ( 6.15e3 / Met_Data%TEMPG ) )\n Elsewhere\n BUFF2D = vp0 *Exp( svp2 * ( Met_Data%TEMPG -stdtemp ) / ( Met_Data%TEMPG -svp3 ) ) \n End Where\n Met_Data%QSS_GRND = BUFF2D * 0.622 / ( Met_Data%PRSFC - BUFF2D )\n\n Where( Met_Data%TEMP2 .Lt. stdtemp )\n BUFF2D = vp0 *Exp( 22.514 - ( 6.15e3 / Met_Data%TEMP2 ) )\n Elsewhere\n BUFF2D = vp0 *Exp( svp2 * ( Met_Data%TEMP2 -stdtemp ) / ( Met_Data%TEMP2 -svp3 ) ) \n End Where\n\n ! Calculate Relative Humidity at 2m\n Met_Data%RH2 = Met_Data%Q2 / ( BUFF2D * 0.622 / ( Met_Data%PRSFC - BUFF2D ) ) * 100.0\n Where( Met_Data%RH2 .Gt. 100.0 )\n Met_Data%RH2 = 100.0\n Elsewhere( Met_Data%RH2 .lt. 0.0 )\n Met_Data%RH2 = 0.0\n End Where\n\n ! Calculate 3D Relative Humidity at Grid Scale\n MET_DATA%RH = MET_DATA%QV * MET_DATA%PRES / ( MET_DATA%QV + 0.622015 ) /\n & ( 610.94 * EXP( 17.625 * ( MET_DATA%TA - 273.15 ) / \n & ( MET_DATA%TA - 273.15 + 243.04 ) ) )\n MET_DATA%RH = MIN( 0.9999, MAX( 0.001, MET_DATA%RH ) )\n \n\n\nC-------------------------------- MET_DOT_3D --------------------------------\n call interpolate_var (vname_uc, jdate, jtime, Met_Data%UWIND)\n\n call interpolate_var (vname_vc, jdate, jtime, Met_Data%VWIND)\n\nC get ghost values for wind fields in case of free trop.\n CALL SUBST_COMM ( Met_Data%UWIND, DSPL_N0_E1_S0_W0, DRCN_E )\n CALL SUBST_COMM ( Met_Data%VWIND, DSPL_N1_E0_S0_W0, DRCN_N )\n\nC-------------------------------- Calculated Variables --------------------------------\n Met_Data%DZF = Met_Data%ZF - EOSHIFT(Met_Data%ZF, Shift = -1, Boundary = 0.0, Dim = 3)\n\n Met_Data%RDEPVHT = 1.0 / Met_Data%ZF( :,:,1 )\n\n IF ( MINKZ ) THEN\n Met_Data%KZMIN = KZL\n DO L = 1, NLAYS\n Where( Met_Data%ZF( :,:,L ) .LE. KZMAXL )\n Met_Data%KZMIN( :,:,L ) = KZL + ( KZU - KZL ) * 0.01 * Grid_data%PURB\n End Where\n End Do\n ELSE\n Met_Data%KZMIN = KZ0UT\n END IF\n\n BUFF3D = Met_Data%TA * ( 1.0 + 0.608 * Met_Data%QV )\n Met_Data%THETAV = BUFF3D * ( P0 / Met_Data%PRES ) ** 0.286\n\nC------ Updating MOL, then WSTAR, MOLI, HOL \n DO R = 1, NROWS\n DO C = 1, NCOLS\n CPAIR = CPD * ( 1.0 + 0.84 * Met_Data%QV( C,R,1 ) ) ! J/(K KG)\n TMPFX = Met_Data%HFX( C,R ) / ( CPAIR * Met_Data%DENS( C,R,1 ) )\n TMPVTCON = 1.0 + 0.608 * Met_Data%QV( C,R,1 ) ! Conversion factor for virtual temperature\n TST = -TMPFX / Met_Data%USTAR( C,R )\n IF ( Met_Data%TA( C,R,1 ) .GT. STDTEMP ) THEN\n LV = LV0 - ( 0.00237 * ( Met_Data%TA( C,R,1 ) - STDTEMP ) ) * 1.0E6\n ELSE\n LV = 2.83E6 ! Latent heat of sublimation at 0C from Stull (1988) (J/KG)\n END IF\n QST = -( Met_Data%LH( C,R ) / LV )\n & / ( Met_Data%USTAR( C,R ) * Met_Data%DENS( C,R,1 ) )\n TSTV = TST * TMPVTCON + Met_Data%THETAV( C,R,1 ) * 0.608 * QST\n IF ( ABS( TSTV ) .LT. 1.0E-6 ) THEN\n TSTV = SIGN( 1.0E-6, TSTV )\n END IF\n Met_Data%MOL( C,R ) = Met_Data%THETAV( C,R,1 )\n & * Met_Data%USTAR( C,R ) ** 2 / ( karman * GRAV * TSTV )\n IF ( Met_Data%MOL( C,R ) .LT. 0.0 ) THEN\n Met_Data%WSTAR( C,R ) = Met_Data%USTAR( C,R ) * ( Met_Data%PBL( C,R )\n & / ( karman * ABS( Met_Data%MOL( C,R ) ) ) ) ** 0.333333\n ELSE\n Met_Data%WSTAR( C,R ) = 0.0\n END IF\n\n END DO\n END DO\n \n Met_Data%MOLI = 1.0 / Met_Data%MOL \n Met_Data%HOL = Met_Data%PBL / Met_Data%MOL\nC------\n\n Met_Data%CONVCT = .FALSE.\n DO R = 1, NROWS\n DO C = 1, NCOLS\n DO L = 1, NLAYS\n IF ( Met_Data%PBL( C,R ) .LT. Met_Data%ZF( C,R,L ) ) THEN\n LP = L; EXIT\n END IF\n END DO\n\n Met_Data%LPBL( C,R ) = LP\n If ( LP .Eq. 1 ) Then\n FINT = ( Met_Data%PBL( C,R ) )\n & / ( Met_Data%ZF( C,R,LP ) )\n Met_Data%XPBL( C,R ) = FINT * ( X3FACE_GD( LP ) - X3FACE_GD( LP-1 ) )\n & + X3FACE_GD( LP-1 )\n Else\n FINT = ( Met_Data%PBL( C,R ) - Met_Data%ZF( C,R,LP-1 ) )\n & / ( Met_Data%ZF( C,R,LP ) - Met_Data%ZF( C,R,LP-1 ) )\n Met_Data%XPBL( C,R ) = FINT * ( X3FACE_GD( LP ) - X3FACE_GD( LP-1 ) )\n & + X3FACE_GD( LP-1 )\n End If\n END DO\n END DO\n Where( Met_Data%THETAV( :,:,1 ) - Met_Data%THETAV( :,:,2 ) .Gt. EPS .And.\n & Met_Data%HOL .Lt. -0.02 .And. Met_Data%LPBL .Gt. 3 )\n Met_Data%CONVCT = .True.\n End Where\n\nC-------------------------------- TILE_CRO_2D --------------------------------\nC read in land use specific meteorology from WRF Noah or Ruc mosaic options\n\n CALL CALC_LAI( JDATE, JTIME, MET_DATA%SOIT2, MET_DATA%LAI,\n & MET_DATA%VEG, MOSAIC_DATA%VEG, MOSAIC_DATA%LAI, MOSAIC_DATA%Z0 )\n\n CALL ra_wrf( MET_DATA%MOLI, MET_DATA%ZH, MET_DATA%RA, MET_DATA%Z0, \n & MOSAIC_DATA%Z0, MET_DATA%USTAR, MOSAIC_DATA%USTAR,\n & MOSAIC_DATA%RA, gamah, betah, karman ) \n\n CALL MOS_RSTW( MOSAIC_DATA%LAI, Met_Data%RGRND, Met_Data%SOIM2, \n & Grid_Data%WWLT, Grid_Data%WFC, Met_Data%TEMP2, MOSAIC_DATA%RA, MOSAIC_DATA%USTAR, \n & MET_DATA%QSS_GRND, MET_DATA%QV, Met_Data%RS, Mosaic_Data%RSTW )\n\n CALL MOS_CanWat( MOSAIC_DATA%VEG, MOSAIC_DATA%LAI, Met_Data%WR, Mosaic_Data%DELTA, \n & WR_AVAIL, Met_Data%Q2, Met_Data%QSS_GRND, Met_Data%RN, Met_Data%RC, Met_Data%WSPD10, \n & Met_Data%RGRND, jdate, jtime)\n\n! Calculate the cosine of the zenith angle \n CALL CZANGLE( JDATE, JTIME, NCOLS, NROWS )\n\n Return\n End Subroutine GET_MET\n\n End Module ASX_DATA_MOD\n" }, { "path": "CCTM/src/vdiff/acm2_stage/VDIFF_MAP.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n MODULE VDIFF_MAP\n\nC-----------------------------------------------------------------------\nC Function: index mapping between CGRID, diffusion, dry dep, and emissions\nC species\n\nC Module depends on prior call to DEPV_INIT to get NDEPV_SPC\n\nC Revision History:\nC 10 Apr 2008 J.Young: initial implementation using subroutine vdiff_map.F\nC 21 Jun 10 J.Young: convert for Namelist redesign\nC 16 Feb 11 S.Roselle: replaced I/O API include files with UTILIO_DEFN\nC 11 May 11 J.Bash: Modified for NH3 bidi component fluxes\nC 04 Jan 12 J.Young: Initalize char strings with blank padding\n\nC-----------------------------------------------------------------------\n USE VDIFF_DATA\n\nC global diffusion species\n !INTEGER, SAVE :: N_SPC_DIFF \n \nC global dry dep species\n INTEGER, SAVE :: N_SPC_DDEP \n\n INTEGER, ALLOCATABLE, SAVE :: DIFF_MAP( : ) ! global diff map to CGRID\n INTEGER, ALLOCATABLE, SAVE :: DF2DV ( : ) ! map from diff spc to depv spc\n INTEGER, ALLOCATABLE, SAVE :: DF2EM ( : ) ! map from diff spc to emis spc\n INTEGER, ALLOCATABLE, SAVE :: DD2DV ( : ) ! map from ddep spc to depv spc\n INTEGER, ALLOCATABLE, SAVE :: DEPV_MAP( : ) ! global depv map to CGRID\n INTEGER, ALLOCATABLE, SAVE :: DV2DF ( : ) ! map from depv spc to diff spc\n\n ! These Masks Identify the Phase/Nature of Species in The Diffused\n ! Species Vector\n LOGICAL, ALLOCATABLE, SAVE :: DIFF_MASK_GAS ( : ) !Gases\n LOGICAL, ALLOCATABLE, SAVE :: DIFF_MASK_AERO( : ) !Particles\n LOGICAL, ALLOCATABLE, SAVE :: DIFF_MASK_NUM ( : ) !Particles\n LOGICAL, ALLOCATABLE, SAVE :: DIFF_MASK_SRF ( : ) !Particles\n LOGICAL, ALLOCATABLE, SAVE :: DIFF_MASK_NR ( : ) !Non-Reactives\n LOGICAL, ALLOCATABLE, SAVE :: DIFF_MASK_TRAC( : ) !Tracers\n\n CHARACTER( 16 ), ALLOCATABLE, SAVE :: DDEP_SPC( : )\n CHARACTER( 16 ), ALLOCATABLE, SAVE :: DEPV_SPC( : )\n CHARACTER( 16 ), ALLOCATABLE, SAVE :: DV2DF_SPC( : )\n REAL, ALLOCATABLE, SAVE :: DIFF_MW ( : )\n\nC component flux output variables \n INTEGER, SAVE :: N_BD_EMIS, NH3_E, HG_E, HONO_E\n CHARACTER( 16 ), SAVE :: BD_EMIS_SPC( 4 ) = ' '\n\n CONTAINS\n\nC-----------------------------------------------------------------------\n FUNCTION VDIFF_MAP_INIT( ) RESULT ( SUCCESS )\n\n USE CGRID_SPCS ! CGRID species number and offsets\n USE UTILIO_DEFN\n\n IMPLICIT NONE\n\nC Includes:\n INCLUDE SUBST_EMISPRM ! Emissions processing control parameters\n\nC Arguments:\n LOGICAL SUCCESS\n\nC External Functions:\n INTEGER, EXTERNAL :: FINDEX\n\nC Local variables:\n \n CHARACTER( 80 ) :: XMSG ! Message text\n CHARACTER( 16 ) :: PNAME = 'VDIFF_MAP'\n\n INTEGER STRT, FINI\n INTEGER S, V, N, I, INDX\n INTEGER ALLOCSTAT\n\n LOGICAL LERROR ! Error flag\n\n!-----------------------------------------------------------------------\n SUCCESS = .TRUE.\n\n N_SPC_DIFF = N_GC_TRNS + N_AE_TRNS + N_NR_TRNS + N_TR_DIFF\n \n ALLOCATE ( DIFF_MAP( N_SPC_DIFF+1 ),\n & DF2DV( N_SPC_DIFF+1 ),\n & DIFF_MW( N_SPC_DIFF+1 ),\n & DIFF_SPC( N_SPC_DIFF+1 ), stat = allocstat )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating DIFF_MAP, DF2DV or DIFF_SPC'\n CALL M3WARN( PNAME, 0, 0, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\n N_SPC_DDEP = N_GC_DDEP + N_AE_DDEP + N_NR_DDEP + N_TR_DDEP\n\n ALLOCATE ( DD2DV( N_SPC_DDEP+1 ),\n & DDEP_SPC( N_SPC_DDEP+1 ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating DD2DV or DDEP_SPC'\n CALL M3WARN( PNAME, 0, 0, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\n ALLOCATE ( DEPV_MAP( N_SPC_DEPV+1 ),\n & DEPV_SPC( N_SPC_DEPV ),\n & DV2DF( N_SPC_DEPV ),\n & dv2df_spc( n_spc_depv ), stat = allocstat )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating DEPV_MAP, DEPV_SPC, DV2DF or dv2df_spc'\n CALL M3WARN( PNAME, 0, 0, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\n! Populate global maps to CGRID\n\n! Map Diffusion Module Species to Deposition Velocity Species\n I = 0; S = 0; N = 0\n DO V = 1, N_GC_TRNS ! assumes dep.vel species subset of vdif species\n N = N + 1\n INDX = FINDEX( GC_TRNS_MAP( V ), N_GC_DEPV, GC_DEPV_MAP )\n IF ( INDX .GT. 0 ) THEN\n I = I + 1\n DF2DV( N ) = S + INDX\n ELSE\n DF2DV( N ) = N_SPC_DEPV + 1\n END IF\n END DO\n S = S + I ! S should now be = N_GC_DEPV\n\n I = 0\n DO V = 1, N_AE_TRNS\n N = N + 1\n INDX = FINDEX( AE_TRNS_MAP( V ), N_AE_DEPV, AE_DEPV_MAP )\n IF ( INDX .GT. 0 ) THEN\n I = I + 1\n DF2DV( N ) = S + INDX\n ELSE\n DF2DV( N ) = N_SPC_DEPV + 1\n END IF\n END DO\n S = S + I ! S should now be = N_GC_DEPV + N_AE_DEPV\n\n I = 0\n DO V = 1, N_NR_TRNS\n N = N + 1\n INDX = FINDEX( NR_TRNS_MAP( V ), N_NR_DEPV, NR_DEPV_MAP )\n IF ( INDX .GT. 0 ) THEN\n I = I + 1\n DF2DV( N ) = S + INDX\n ELSE\n DF2DV( N ) = N_SPC_DEPV + 1\n END IF\n END DO\n S = S + I ! S should now be = N_GC_DEPV + N_AE_DEPV + N_NR_DEPV\n\n DO V = 1, N_TR_DIFF\n N = N + 1\n INDX = FINDEX( TR_DIFF_MAP( V ), N_TR_DEPV, TR_DEPV_MAP )\n IF ( INDX .GT. 0 ) THEN\n DF2DV( N ) = S + INDX\n ELSE\n DF2DV( N ) = N_SPC_DEPV + 1\n END IF\n END DO\n\n! Map Deposition Velocity Species to Dry Deposition Module Species\n LERROR = .FALSE.\n S = 0; V = 0\n DO N = 1, N_GC_DDEP\n V = V + 1\n INDX = FINDEX ( GC_DDEP_MAP( N ), N_GC_DEPV, GC_DEPV_MAP )\n IF ( INDX .GT. 0 ) THEN\n DD2DV ( V ) = S + INDX\n DDEP_SPC( V ) = GC_DDEP( N )\n ELSE\n XMSG = 'ERROR: No deposition velocity for DDEP species ' //\n & GC_DDEP( N )\n CALL M3MESG( XMSG )\n LERROR = .TRUE.\n END IF\n END DO\n\n S = N_GC_DEPV\n DO N = 1, N_AE_DDEP\n V = V + 1\n INDX = FINDEX ( AE_DDEP_MAP( N ), N_AE_DEPV, AE_DEPV_MAP )\n IF ( INDX .GT. 0 ) THEN\n DD2DV ( V ) = S + INDX\n DDEP_SPC( V ) = AE_DDEP( N )\n ELSE\n XMSG = 'ERROR: No deposition velocity for DDEP species ' //\n & AE_DDEP( N )\n CALL M3MESG( XMSG )\n LERROR = .TRUE.\n END IF\n END DO\n\n S = N_GC_DEPV + N_AE_DEPV\n DO N = 1, N_NR_DDEP\n V = V + 1\n INDX = FINDEX ( NR_DDEP_MAP( N ), N_NR_DEPV, NR_DEPV_MAP )\n IF ( INDX .GT. 0 ) THEN\n DD2DV ( V ) = S + INDX\n DDEP_SPC( V ) = NR_DDEP( N )\n ELSE\n XMSG = 'ERROR: No deposition velocity for DDEP species ' //\n & NR_DDEP( N )\n CALL M3MESG( XMSG )\n LERROR = .TRUE.\n END IF\n END DO\n\n S = N_GC_DEPV + N_AE_DEPV + N_NR_DEPV\n DO N = 1, N_TR_DEPV\n V = V + 1\n INDX = FINDEX ( TR_DDEP_MAP( N ), N_TR_DEPV, TR_DEPV_MAP )\n IF ( INDX .GT. 0 ) THEN\n DD2DV ( V ) = S + INDX\n DDEP_SPC( V ) = TR_DDEP( N )\n ELSE\n XMSG = 'ERROR: No deposition velocity for DDEP species ' //\n & TR_DDEP( N )\n CALL M3MESG( XMSG )\n LERROR = .TRUE.\n END IF\n END DO\n NH3_E = 0\n HG_ E = 0\n HONO_E = 0\n IF ( ABFLUX ) THEN \n NH3_E = 1\n N_BD_EMIS = NH3_E\n BD_EMIS_SPC( NH3_E ) = 'NH3_Emis'\n END IF\n IF ( HGBIDI ) THEN\n HG_E = NH3_E + 1 \n N_BD_EMIS = HG_E\n BD_EMIS_SPC( HG_E ) = 'HG_Emis' \n END IF \n IF ( SFC_HONO ) THEN\n HONO_E = max(NH3_E,HG_E) + 1 \n N_BD_EMIS = HONO_E\n BD_EMIS_SPC( HONO_E ) = 'HONO_Het ' \n END IF \n\n! Populate Deposition Velocity Map and Species \n S = 0\n DO V = 1, N_GC_DEPV\n S = S + 1\n DEPV_MAP( S ) = GC_STRT - 1 + GC_DEPV_MAP( V )\n DEPV_SPC( S ) = GC_SPC( GC_DEPV_MAP( V ) )\n END DO\n DO V = 1, N_AE_DEPV\n S = S + 1\n DEPV_MAP( S ) = AE_STRT - 1 + AE_DEPV_MAP( V )\n DEPV_SPC( S ) = AE_SPC( AE_DEPV_MAP( V ) )\n END DO\n DO V = 1, N_NR_DEPV\n S = S + 1\n DEPV_MAP( S ) = NR_STRT - 1 + NR_DEPV_MAP( V )\n DEPV_SPC( S ) = NR_SPC( NR_DEPV_MAP( V ) )\n END DO\n DO V = 1, N_TR_DEPV\n S = S + 1\n DEPV_MAP( S ) = TR_STRT - 1 + TR_DEPV_MAP( V )\n DEPV_SPC( S ) = TR_SPC( TR_DEPV_MAP( V ) )\n END DO\n\n! Populate Diffusion Module Map and Species\n ALLOCATE( DIFF_MASK_GAS ( N_SPC_DIFF ) )\n ALLOCATE( DIFF_MASK_AERO( N_SPC_DIFF ) )\n ALLOCATE( DIFF_MASK_NUM( N_SPC_DIFF ) )\n ALLOCATE( DIFF_MASK_SRF( N_SPC_DIFF ) )\n ALLOCATE( DIFF_MASK_NR ( N_SPC_DIFF ) )\n ALLOCATE( DIFF_MASK_TRAC( N_SPC_DIFF ) )\n DIFF_MASK_GAS = .FALSE.\n DIFF_MASK_AERO = .FALSE.\n DIFF_MASK_NUM = .FALSE.\n DIFF_MASK_SRF = .FALSE.\n DIFF_MASK_NR = .FALSE.\n DIFF_MASK_TRAC = .FALSE.\n DIFF_MAP = 0\n DIFF_SPC = \"\"\n DIFF_MW = 0.\n\n S = 0\n DO V = 1, N_GC_TRNS\n S = S + 1\n DIFF_MAP( S ) = GC_STRT - 1 + GC_TRNS_MAP( V )\n DIFF_SPC( S ) = GC_SPC( GC_TRNS_MAP( V ) )\n DIFF_MW ( S ) = GC_MOLWT( GC_TRNS_MAP( V ) )\n DIFF_MASK_GAS( S ) = .TRUE.\n END DO\n DO V = 1, N_AE_TRNS\n S = S + 1\n DIFF_MAP( S ) = AE_STRT - 1 + AE_TRNS_MAP( V )\n DIFF_SPC( S ) = AE_SPC( AE_TRNS_MAP( V ) )\n DIFF_MW ( S ) = AE_MOLWT( AE_TRNS_MAP( V ) )\n DIFF_MASK_AERO( S ) = .TRUE.\n IF ( INDEX( DIFF_SPC( S ), 'NUM' ) .NE. 0 ) THEN\n DIFF_MASK_NUM( S ) = .TRUE.\n END IF\n IF ( INDEX( DIFF_SPC( S ), 'SRF' ) .NE. 0 ) THEN\n DIFF_MASK_SRF( S ) = .TRUE.\n END IF\n END DO\n DO V = 1, N_NR_TRNS\n S = S + 1\n DIFF_MAP( S ) = NR_STRT - 1 + NR_TRNS_MAP( V )\n DIFF_SPC( S ) = NR_SPC( NR_TRNS_MAP( V ) )\n DIFF_MW ( S ) = NR_MOLWT( NR_TRNS_MAP( V ) )\n DIFF_MASK_NR( S ) = .TRUE.\n END DO\n DO V = 1, N_TR_DIFF\n S = S + 1\n DIFF_MAP( S ) = TR_STRT - 1 + TR_DIFF_MAP( V )\n DIFF_SPC( S ) = TR_SPC( TR_DIFF_MAP( V ) )\n DIFF_MW ( S ) = TR_MOLWT( TR_DIFF_MAP( V ) )\n DIFF_MASK_TRAC( S ) = .TRUE.\n END DO\n\n! Map Deposition Velocity Species to Diffusion Module Species\n S = 0; V = 0\n DO N = 1, N_GC_DEPV\n V = V + 1\n INDX = FINDEX ( GC_DEPV_MAP( N ), N_GC_TRNS, GC_TRNS_MAP )\n IF ( INDX .GT. 0 ) THEN\n DV2DF ( V ) = S + INDX\n dv2df_spc( v ) = gc_trns( indx )\n ELSE\n XMSG = 'ERROR: deposition velocity specified for non-diff species '\n & // GC_SPC( GC_DEPV_MAP( N ) )\n CALL M3MESG( XMSG )\n LERROR = .TRUE.\n END IF\n END DO\n\n S = N_GC_TRNS\n DO N = 1, N_AE_DEPV\n V = V + 1\n INDX = FINDEX ( AE_DEPV_MAP( N ), N_AE_TRNS, AE_TRNS_MAP )\n IF ( INDX .GT. 0 ) THEN\n DV2DF ( V ) = S + INDX\n dv2df_spc( v ) = ae_trns( indx )\n ELSE\n XMSG = 'ERROR: deposition velocity specified for non-diff species '\n & // AE_SPC( AE_DEPV_MAP( N ) )\n CALL M3MESG( XMSG )\n LERROR = .TRUE.\n END IF\n END DO\n\n S = N_GC_TRNS + N_AE_TRNS\n DO N = 1, N_NR_DEPV\n V = V + 1\n INDX = FINDEX ( NR_DEPV_MAP( N ), N_NR_TRNS, NR_TRNS_MAP )\n IF ( INDX .GT. 0 ) THEN\n DV2DF ( V ) = S + INDX\n dv2df_spc( v ) = nr_trns( indx )\n ELSE\n XMSG = 'ERROR: deposition velocity specified for non-diff species '\n & // NR_SPC( NR_DEPV_MAP( N ) )\n CALL M3MESG( XMSG )\n LERROR = .TRUE.\n END IF\n END DO\n\n S = N_GC_TRNS + N_AE_TRNS + N_NR_TRNS\n DO N = 1, N_TR_DEPV\n V = V + 1\n INDX = FINDEX ( TR_DEPV_MAP( N ), N_TR_DIFF, TR_DIFF_MAP )\n IF ( INDX .GT. 0 ) THEN\n DV2DF ( V ) = S + INDX\n dv2df_spc( v ) = tr_diff( indx )\n ELSE\n XMSG = 'ERROR: deposition velocity specified for non-diff species '\n & // TR_SPC( TR_DEPV_MAP( N ) )\n CALL M3MESG( XMSG )\n LERROR = .TRUE.\n END IF\n END DO\n\n! Check for Errors and Exit\n IF ( LERROR ) THEN\n XMSG = '*** Species mapping error(s) in VDIFF_MAP'\n CALL M3WARN( PNAME, 0, 0, XMSG )\n SUCCESS = .FALSE.\n END IF\n\n RETURN\n\n END FUNCTION VDIFF_MAP_INIT\n\n END MODULE VDIFF_MAP\n" }, { "path": "CCTM/src/vdiff/acm2_stage/opddep.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/CCTM/src/vdiff/acm2/opddep.F,v 1.6 2012/01/19 14:40:52 yoj Exp $\n \nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n \nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE OPDDEP ( JDATE, JTIME, TSTEP, N_SPC_DDEP )\n\nC 30 Mar 01 J.Young: dyn alloc - Use HGRD_DEFN\nC 03 Sep 01 David Wong: for new pario\nC 31 Jan 05 J.Young: dyn alloc - establish both horizontal & vertical\nC domain specifications in one module\nC 21 Jun 10 J.Young: convert for Namelist redesign\nC 16 Feb 11 S.Roselle: replaced I/O API include files with UTILIO_DEFN\nC 11 May 11 J.Bash: Modified to output NH3 bidi component fluxes\nC 04 Jan 12 J.Young: Initalize char strings with blank padding\nC 08 Jun 12 J.Young: remove full character blank padding for GNU Fortran (GCC) 4.1.2\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE CGRID_SPCS ! CGRID mechanism species\n USE UTILIO_DEFN\n\n IMPLICIT NONE\n \n INCLUDE SUBST_FILES_ID ! file name parameters\n\nC Arguments:\n\n INTEGER, INTENT( IN ) :: JDATE ! current model date, coded YYYYDDD\n INTEGER, INTENT( IN ) :: JTIME ! current model time, coded HHMMSS\n INTEGER, INTENT( IN ) :: TSTEP ! output time step\n INTEGER, INTENT( IN ) :: N_SPC_DDEP ! no. of dry dep species\n\nC Local variables:\n\n CHARACTER( 16 ) :: PNAME = 'OPDDEP'\n CHARACTER( 96 ) :: XMSG = ' '\n\n! component flux varialbes \n INTEGER, SAVE :: N_BD_EMIS \n CHARACTER( 16 ), SAVE :: BD_EMIS_SPC( 3 )\n INTEGER, SAVE :: N_BD_FLUX \n CHARACTER( 16 ), SAVE :: BD_FLUX_SPC( 1 )\n\n INTEGER V, N, L ! loop induction variables\n INTEGER STRT, FINI ! loop induction variables\n\nC-----------------------------------------------------------------------\n\nC Try to open existing file for update\n\n IF ( .NOT. OPEN3( CTM_DRY_DEP_1, FSRDWR3, PNAME ) ) THEN\n\n N_BD_EMIS = 0\n N_BD_FLUX = 0\n If( ABFLUX ) Then\n N_BD_EMIS = N_BD_EMIS + 1\n BD_EMIS_SPC( N_BD_EMIS ) = 'NH3_Emis'\n N_BD_FLUX = 1\n BD_FLUX_SPC( 1 ) = 'NH3_Flux'\n End If \n If( HGBIDI ) Then\n N_BD_EMIS = N_BD_EMIS + 1\n BD_EMIS_SPC( N_BD_EMIS ) = 'HG_Emis'\n End If \n If( SFC_HONO ) Then \n N_BD_EMIS = N_BD_EMIS + 1 \n BD_EMIS_SPC( N_BD_EMIS ) = 'HONO_Het '\n End If \n\n XMSG = 'Could not open ' // CTM_DRY_DEP_1 // ' file for update - '\n & // 'try to open new'\n CALL M3MESG( XMSG )\n\nC Set output file characteristics based on COORD.EXT and open the dry dep file\n\n FTYPE3D = GRDDED3\n SDATE3D = JDATE\n STIME3D = JTIME\n TSTEP3D = TSTEP\n CALL NEXTIME( SDATE3D, STIME3D, TSTEP3D ) ! start the next hour\n NVARS3D = N_SPC_DDEP + N_BD_EMIS + N_BD_FLUX \n NCOLS3D = GL_NCOLS\n NROWS3D = GL_NROWS\n NLAYS3D = 1\n NTHIK3D = 1\n GDTYP3D = GDTYP_GD\n P_ALP3D = P_ALP_GD\n P_BET3D = P_BET_GD \n P_GAM3D = P_GAM_GD\n XORIG3D = XORIG_GD\n YORIG3D = YORIG_GD\n XCENT3D = XCENT_GD\n YCENT3D = YCENT_GD\n XCELL3D = XCELL_GD\n YCELL3D = YCELL_GD\n VGTYP3D = VGTYP_GD\n VGTOP3D = VGTOP_GD\n DO L = 1, NLAYS3D + 1\n VGLVS3D( L ) = VGLVS_GD( L )\n END DO\n GDNAM3D = GRID_NAME ! from HGRD_DEFN\n\n N = 0\n STRT = 1\n FINI = N_GC_DDEP\n DO V = STRT, FINI\n N = N + 1\n VTYPE3D( V ) = M3REAL\n VNAME3D( V ) = GC_DDEP( N )\n UNITS3D( V ) = 'kg/hectare'\n VDESC3D( V ) = 'hourly dry deposition values'\n END DO\n\n N = 0\n STRT = N_GC_DDEP + 1\n FINI = N_GC_DDEP + N_AE_DDEP\n DO V = STRT, FINI\n N = N + 1\n VTYPE3D( V ) = M3REAL\n VNAME3D( V ) = AE_DDEP( N )\n IF ( AE_DDEP( N )( 1:3 ) .EQ. 'NUM' ) THEN\n UNITS3D( V ) = 'number/hectare'\n ELSE IF ( AE_DDEP( N )( 1:3 ) .EQ. 'SRF' ) THEN\n UNITS3D( V ) = 'm**2/hectare'\n ELSE\n UNITS3D( V ) = 'kg/hectare'\n END IF\n VDESC3D( V ) = 'hourly dry deposition values'\n END DO\n\n N = 0\n STRT = N_GC_DDEP + N_AE_DDEP + 1\n FINI = N_GC_DDEP + N_AE_DDEP + N_NR_DDEP\n DO V = STRT, FINI\n N = N + 1\n VTYPE3D( V ) = M3REAL\n VNAME3D( V ) = NR_DDEP( N )\n UNITS3D( V ) = 'kg/hectare'\n VDESC3D( V ) = 'hourly dry deposition values'\n END DO\n\n N = 0\n STRT = N_GC_DDEP + N_AE_DDEP + N_NR_DDEP + 1\n FINI = N_GC_DDEP + N_AE_DDEP + N_NR_DDEP + N_TR_DDEP\n DO V = STRT, FINI\n N = N + 1\n VTYPE3D( V ) = M3REAL\n VNAME3D( V ) = TR_DDEP( N )\n UNITS3D( V ) = '----'\n VDESC3D( V ) = 'hourly dry deposition values'\n END DO\n\n IF ( ABFLUX ) THEN\n N = 0 \n STRT = N_GC_DDEP + N_AE_DDEP + N_NR_DDEP + N_TR_DDEP + 1\n FINI = N_GC_DDEP + N_AE_DDEP + N_NR_DDEP + N_TR_DDEP + 1\n DO V = STRT, FINI\n N = N + 1\n VTYPE3D( V ) = M3REAL\n VNAME3D( V ) = BD_EMIS_SPC( N )\n UNITS3D( V ) = 'kg/hectare'\n VDESC3D( V ) = 'hourly emission values'\n END DO\n N = 0 \n STRT = FINI + 1\n FINI = FINI + N_BD_FLUX\n DO V = STRT, FINI\n N = N + 1\n VTYPE3D( V ) = M3REAL\n VNAME3D( V ) = BD_FLUX_SPC( N )\n UNITS3D( V ) = 'kg/hectare'\n VDESC3D( V ) = 'hourly flux values'\n END DO\n END IF\n IF ( HGBIDI ) THEN\n STRT = FINI + 1\n FINI = FINI + 1\n DO V = STRT, FINI\n VTYPE3D( V ) = M3REAL\n VNAME3D( V ) = 'HG_Emis'\n UNITS3D( V ) = 'kg/hectare'\n VDESC3D( V ) = 'hourly emission values'\n END DO\n END IF\n IF ( SFC_HONO ) THEN\n STRT = FINI + 1\n FINI = FINI + 1\n DO V = STRT, FINI\n VTYPE3D( V ) = M3REAL\n VNAME3D( V ) = 'HONO_Het '\n UNITS3D( V ) = 'kg/hectare'\n VDESC3D( V ) = 'hourly surface heterogenous production values'\n END DO\n END IF\n\n FDESC3D( 1 ) = 'hourly 1-layer cross-point STAGE dry deposition data'\n DO L = 2, MXDESC3\n FDESC3D( L ) = ' '\n END DO\n\nC Open dry deposition file\n\n IF ( .NOT. OPEN3( CTM_DRY_DEP_1, FSNEW3, PNAME ) ) THEN\n XMSG = 'Could not create '// CTM_DRY_DEP_1 // ' file'\n CALL M3EXIT( PNAME, SDATE3D, STIME3D, XMSG, XSTAT1 )\n END IF\n\n END IF\n\n RETURN\n END\n" }, { "path": "CCTM/src/vdiff/acm2_stage/opddep_mos.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/CCTM/src/vdiff/acm2/opddep_mos.F,v 1.3 2011/10/21 16:11:46 yoj Exp $\n \nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n \nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE OPDDEP_MOS ( JDATE, JTIME, TSTEP, N_SPC_DDEP )\n\nC 30 Mar 01 J.Young: dyn alloc - Use HGRD_DEFN\nC 03 Sep 01 David Wong: for new pario\nC 31 Jan 05 J.Young: dyn alloc - establish both horizontal & vertical\nC domain specifications in one module\nC 21 Jun 10 J.Young: convert for Namelist redesign\nC 16 Feb 11 S.Roselle: replaced I/O API include files with UTILIO_DEFN\nC 20 May 11 D.Schwede: modified to include mosaic output file\n\n USE GRID_CONF ! horizontal & vertical domain specifications\n USE CGRID_SPCS ! CGRID mechanism species\n USE UTILIO_DEFN\n USE MOSAIC_MOD, Only: Tile_Data\n\n IMPLICIT NONE\n \n INCLUDE SUBST_FILES_ID ! file name parameters\n\nC Arguments:\n\n INTEGER JDATE ! current model date, coded YYYYDDD\n INTEGER JTIME ! current model time, coded HHMMSS\n INTEGER TSTEP ! output time step\n INTEGER N_SPC_DDEP ! no. of dry dep species\n\nC Local variables:\n\n CHARACTER( 16 ) :: PNAME = 'OPDDEP_MOS'\n CHARACTER( 96 ) :: XMSG = ' '\n\n INTEGER V, N, L ! loop induction variables\n INTEGER STRT, FINI ! loop induction variables\n\nC-----------------------------------------------------------------------\n\nC Try to open existing file for update\n\n IF ( .NOT. OPEN3( CTM_DRY_DEP_MOS, FSRDWR3, PNAME ) ) THEN\n\n XMSG = 'Could not open ' // CTM_DRY_DEP_MOS // ' file for update - '\n & // 'try to open new'\n CALL M3MESG( XMSG )\n\nC Set output file characteristics based on COORD.EXT and open the dry dep file\n\n FTYPE3D = GRDDED3\n SDATE3D = JDATE\n STIME3D = JTIME\n TSTEP3D = TSTEP\n CALL NEXTIME( SDATE3D, STIME3D, TSTEP3D ) ! start the next hour\n\n NVARS3D = N_SPC_DDEP\n NCOLS3D = GL_NCOLS\n NROWS3D = GL_NROWS\n NLAYS3D = Tile_Data%N_LUFRAC + 1\n NTHIK3D = 1\n GDTYP3D = GDTYP_GD\n P_ALP3D = P_ALP_GD\n P_BET3D = P_BET_GD \n P_GAM3D = P_GAM_GD\n XORIG3D = XORIG_GD\n YORIG3D = YORIG_GD\n XCENT3D = XCENT_GD\n YCENT3D = YCENT_GD\n XCELL3D = XCELL_GD\n YCELL3D = YCELL_GD\n VGTYP3D = VGTYP_GD\n VGTOP3D = VGTOP_GD\n! VGTPUN3D = VGTPUN_GD ! currently, not defined\n DO L = 1, NLAYS3D + 1\n! VGLVS3D( L ) = VGLVS_GD( L )\n VGLVS3D( L ) = 1.0 ! just a dummy variable b/c they aren't really levels\n END DO\n! GDNAM3D = GDNAME_GD\n GDNAM3D = GRID_NAME ! from HGRD_DEFN\n\n N = 0\n STRT = 1\n FINI = N_GC_DDEP\n DO V = STRT, FINI\n N = N + 1\n VTYPE3D( V ) = M3REAL\n VNAME3D( V ) = GC_DDEP( N )\n UNITS3D( V ) = 'kg/hectare'\n VDESC3D( V ) = 'hourly dry deposition values'\n END DO\n\n N = 0\n STRT = N_GC_DDEP + 1\n FINI = N_GC_DDEP + N_AE_DDEP\n DO V = STRT, FINI\n N = N + 1\n VTYPE3D( V ) = M3REAL\n VNAME3D( V ) = AE_DDEP( N )\n IF ( AE_DDEP( N )( 1:3 ) .EQ. 'NUM' ) THEN\n UNITS3D( V ) = 'number/hectare'\n ELSE IF ( AE_DDEP( N )( 1:3 ) .EQ. 'SRF' ) THEN\n UNITS3D( V ) = 'm**2/hectare'\n ELSE\n UNITS3D( V ) = 'kg/hectare'\n END IF\n VDESC3D( V ) = 'hourly dry deposition values'\n END DO\n\n N = 0\n STRT = N_GC_DDEP + N_AE_DDEP + 1\n FINI = N_GC_DDEP + N_AE_DDEP + N_NR_DDEP\n DO V = STRT, FINI\n N = N + 1\n VTYPE3D( V ) = M3REAL\n VNAME3D( V ) = NR_DDEP( N )\n UNITS3D( V ) = 'kg/hectare'\n VDESC3D( V ) = 'hourly dry deposition values'\n END DO\n\n N = 0\n STRT = N_GC_DDEP + N_AE_DDEP + N_NR_DDEP + 1\n FINI = N_GC_DDEP + N_AE_DDEP + N_NR_DDEP + N_TR_DDEP\n DO V = STRT, FINI\n N = N + 1\n VTYPE3D( V ) = M3REAL\n VNAME3D( V ) = TR_DDEP( N )\n UNITS3D( V ) = '----'\n VDESC3D( V ) = 'hourly dry deposition values'\n END DO\n\n FDESC3D( 1 ) = 'hourly 1-layer cross-point STAGE dry deposition data'\n DO L = 2, MXDESC3\n FDESC3D( L ) = ' '\n END DO\n\nC Open dry deposition file\n\n IF ( .NOT. OPEN3( CTM_DRY_DEP_MOS, FSNEW3, PNAME ) ) THEN\n XMSG = 'Could not create '// CTM_DRY_DEP_MOS // ' file'\n CALL M3EXIT( PNAME, SDATE3D, STIME3D, XMSG, XSTAT1 )\n END IF\n\n END IF\n\n RETURN\n END\n" }, { "path": "CCTM/src/vdiff/acm2_stage/vdiffacmx.F", "content": "!--------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE VDIFFACMX ( DTSEC, SEDDY, DDEP, TOT_BD_EMIS, DDEPJ, CNGRD )\n\nC-----------------------------------------------------------------------\nC Asymmetric Convective Model v2 (ACM2/ACM1) -- Pleim(2006/2014)\nC Function:\nC calculates vertical diffusion\n\nC Subroutines and Functions Called:\nC SEC2TIME, TIME2SEC, WRITE3, NEXTIME,\nC M3EXIT, EDDYX, TRI, MATRIX, PA_UPDATE_EMIS, PA_UPDATE_DDEP\n\nC Revision History:\nC Analogous to VDIFFACM2\nC 11 Apr 13 J.Young: fix double adjustment of conc for DDBF in heterogeneous HONO\nC if-then-else clauses; eliminate some white space\nC 13 May 13 J.Young: access met data from VDIFF_MET module\nC change CRANKP to THBAR, CRANKQ to THETA\nC 25 May 13 J.Young: re-do the acm/eddy algorithm for computational efficiency\nC 30 Apr 14 J.Young: switch THBAR and THETA\nC 2 May 14 J.Pleim, J.Young: replace the banded tridiagonal matrix solver for the\nC convective PBL, with the ACM1 matrix solver followed by the tridiagonal\nC matrix solver\nC 30 May 14 J.Young: split vdiff calculation out of vdiff proc.\nC 07 Nov 14 J.Bash: Updated for the ASX_DATA_MOD shared data module. \nC 10 Feb 19 D.Wong: removed all MY_N clauses\nC-----------------------------------------------------------------------\n\n USE CGRID_SPCS ! CGRID mechanism species\n USE GRID_CONF\n USE DESID_VARS, ONLY : VDEMIS_DIFF, DESID_LAYS\n USE DESID_PARAM_MODULE, ONLY : DESID_N_SRM\n USE DEPV_DEFN\n USE ASX_DATA_MOD\n USE VDIFF_MAP\n USE UTILIO_DEFN\n USE BIDI_MOD\n USE MOSAIC_MOD, ONLY: Tile_Data\n USE VDIFF_DIAG, NLPCR => NLPCR_MEAN\n USE HGRD_DEFN,only : COLSX_PE, ROWSX_PE\n USE BDSNP_MOD, ONLY: GET_N_DEP\n\n#ifdef isam\n USE SA_DEFN, ONLY: N_SPCTAG, ISAM, VNAM_SPCTAG, TRANSPORT_SPC,\n & SA_VDEMIS_DIFF, ITAG, NTAG_SA, NSPC_SA,\n & S_SPCTAG, T_SPCTAG, SA_DDEP, OTHRTAG, ISAM_SPEC,\n & L_NO3, SA_BIDI, BIDITAG, L_NH4\n#endif\n\n IMPLICIT NONE\n\n INCLUDE SUBST_FILES_ID ! file name parameters\n\n CHARACTER( 120 ) :: XMSG = ' '\n\nC Arguments:\n REAL, INTENT( IN ) :: DTSEC ! model time step in seconds\nC--- SEDDY is strictly an input, but it gets modified here\n REAL, INTENT( INOUT ) :: SEDDY ( :,:,: ) ! flipped EDDYV\n REAL, INTENT( INOUT ) :: DDEP ( :,:,: ) ! ddep accumulator\n REAL, INTENT( INOUT ) :: TOT_BD_EMIS ( :,:,: ) ! bidi emissions accumlator \n REAL, INTENT( INOUT ), OPTIONAL :: DDEPJ ( :,:,:,: ) ! ddep for mosaic\n REAL, INTENT( INOUT ) :: CNGRD ( :,:,:,: ) ! cgrid replacement\n\nC Parameters:\n\nC explicit, THETA = 0, implicit, THETA = 1 ! Crank-Nicholson: THETA = 0.5\n REAL, PARAMETER :: THETA = 0.5,\n & THBAR = 1.0 - THETA\n\n REAL, PARAMETER :: EPS = 1.0E-06\n\nC External Functions: None\n\nC Local Variables:\n\n CHARACTER( 16 ), SAVE :: PNAME = 'VDIFFACMX'\n\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n LOGICAL, SAVE :: SPECLOG = .TRUE. ! For BDSNP\n\n REAL, ALLOCATABLE, SAVE :: DD_FAC ( : ) ! combined subexpression\n REAL, ALLOCATABLE, SAVE :: DD_FACJ ( :,: ) ! combined subexpression for mosaic\n REAL, ALLOCATABLE, SAVE :: DDBF ( : ) ! secondary DDEP\n REAL, ALLOCATABLE, SAVE :: DDBFJ ( :,: ) ! secondary DDEP for mosaic\n REAl, ALLOCATABLE, SAVE :: TMP_BD_EMIS( : ) ! intermediate bidi emissions\n REAL, ALLOCATABLE, SAVE :: CONC ( :,: ) ! secondary CGRID expression\n REAL, ALLOCATABLE, SAVE :: EMIS ( :,: ) ! emissions subexpression\n REAL DTDENS1 ! DT * layer 1 air density\n\nC ACM Local Variables\n REAL :: EDDY ( NLAYS ) ! local converted eddyv\n REAL MEDDY ! ACM2 intermediate var\n REAL MBAR ! ACM2 mixing rate (S-1)\n REAL :: MBARKS( NLAYS ) ! by layer\n REAL :: MDWN ( NLAYS ) ! ACM down mix rate\n REAL :: MFAC ( NLAYS ) ! intermediate loop factor\n REAL :: AA ( NLAYS ) ! matrix column one\n REAL :: BB1 ( NLAYS ) ! diagonal for MATRIX1\n REAL :: BB2 ( NLAYS ) ! diagonal for TRI\n REAL :: CC ( NLAYS ) ! subdiagonal\n REAL :: EE1 ( NLAYS ) ! superdiagonal for MATRIX1\n REAL :: EE2 ( NLAYS ) ! superdiagonal for TRI\n REAL, ALLOCATABLE, SAVE :: DD ( :,: ) ! R.H.S\n REAL, ALLOCATABLE, SAVE :: UU ( :,: ) ! returned solution\n REAL DFACP, DFACQ\n REAL :: DFSP( NLAYS ), DFSQ( NLAYS ) ! intermediate loop factors\n REAL DELC, DELP, RP, RQ\n REAL :: LFAC1( NLAYS ) ! intermediate factor for CONVT\n REAL :: LFAC2( NLAYS ) ! intermediate factor for CONVT\n REAL :: LFAC3( NLAYS ) ! intermediate factor for eddy\n REAL :: LFAC4( NLAYS ) ! intermediate factor for eddy\n REAL, ALLOCATABLE, SAVE :: DEPVCR ( : ) ! dep vel in one cell\n REAL, ALLOCATABLE, SAVE :: DEPVJCR ( :,: ) ! dep vel in one cell for each landuse\n REAL, ALLOCATABLE, SAVE :: EFAC1 ( : )\n REAL, ALLOCATABLE, SAVE :: EFAC2 ( : )\n REAL, ALLOCATABLE, SAVE :: EMIS_OVER_VD( : ) ! Bidi Emissions/DEPV (ppm)\n REAL PLDV_HONO ! PLDV for HONO\n REAL DEPV_NO2 ! dep vel of NO2\n REAL DEPV_HNO3 ! dep vel of HNO3\n REAL FNL ! ACM2 Variable\n INTEGER NLP, NL, LCBL\n INTEGER, SAVE :: NO2_HIT, HONO_HIT, HNO3_HIT, NO2_MAP, HNO3_MAP\n INTEGER, SAVE :: NH3_HIT, HG_HIT\n REAL DTLIM, DTS, DTACM, RZ\n\n INTEGER ASTAT\n INTEGER C, R, L, S, V, I, J ! loop induction variables\n INTEGER MDATE, MTIME ! internal simulation date&time\n!--Local Arrays for Z-coord implimentation\n REAL :: DZH ( NLAYS ) ! ZF(L) - ZF(L-1)\n REAL :: DZHI ( NLAYS ) ! 1/DZH\n REAL :: DZFI ( NLAYS ) ! ZH(L+1) - ZH(L)\n integer gl_c, gl_r\n\n LOGICAL, SAVE :: XMOSAIC = .FALSE.\n\n#ifdef isam\n REAL :: TOTAL_SA_NO2\n REAL, ALLOCATABLE, SAVE :: SA_DDBF( : )\n INTEGER IBGN, JSPCTAG\n\n REAL, ALLOCATABLE,SAVE :: SAEMIS( :,: )\n REAL, ALLOCATABLE,SAVE :: SACONC( :,: )\n REAL, ALLOCATABLE,SAVE :: SA_DD( :,: )\n REAL, ALLOCATABLE,SAVE :: SA_UU( :,: )\n\n REAL, ALLOCATABLE,SAVE :: SAFRAC( : )\n REAL, ALLOCATABLE,SAVE :: SA_NO2( : ) \n REAL, ALLOCATABLE,SAVE :: SA_SUM( : )\n\n INTEGER, SAVE :: ISAM_INDEX_NO2 = 0 ! ...Index locating NO2 in ISAM\n INTEGER, SAVE :: ISAM_INDEX_NH3 = 0 ! ...Index locating NH3 in ISAM\n INTEGER, SAVE :: PLDV_INDEX_NH3 = 0 ! ...Index locating NH3 in PLDV\n\n INTEGER, ALLOCATABLE, SAVE :: ISAM_DEPV( : )\n INTEGER, ALLOCATABLE, SAVE :: INDEX_SA_HONO( : )\n INTEGER, ALLOCATABLE, SAVE :: INDEX_SA_NH3( : )\n\n CHARACTER( 16 ) :: ISAM_SPECIES\n\n INTEGER TOP, BOT\n#endif \n\n INTERFACE\n SUBROUTINE MATRIX1 ( KL, A, B, E, D, X )\n INTEGER, INTENT( IN ) :: KL\n REAL, INTENT( IN ) :: A( : ), B( : ), E( : )\n REAL, INTENT( IN ) :: D( :,: )\n REAL, INTENT( OUT ) :: X( :,: )\n END SUBROUTINE MATRIX1\n SUBROUTINE TRI ( L, D, U, B, X )\n REAL, INTENT( IN ) :: L( : ), D( : ), U( : )\n REAL, INTENT( IN ) :: B( :,: )\n REAL, INTENT( OUT ) :: X( :,: )\n END SUBROUTINE TRI\n#ifdef isam\n SUBROUTINE SA_MATRIX1 ( KL, A, B, E, D, X )\n INTEGER, INTENT( IN ) :: KL\n REAL, INTENT( IN ) :: A( : ), B( : ), E(: )\n REAL, INTENT( IN ) :: D( :,: )\n REAL, INTENT( OUT ) :: X( :,: )\n END SUBROUTINE SA_MATRIX1\n\n SUBROUTINE SA_TRI ( L, D, U, B, X )\n REAL, INTENT( IN ) :: L( : ), D( : ), U( : )\n REAL, INTENT( IN ) :: B( :,: )\n REAL, INTENT( OUT ) :: X( :,: )\n END SUBROUTINE SA_TRI\n#endif\n END INTERFACE\n\nC-----------------------------------------------------------------------\n\n IF ( FIRSTIME ) THEN\n\n FIRSTIME = .FALSE.\n\n MDATE = 0; MTIME = 0\n\nC set auxiliary depv arrays\n\n ALLOCATE ( DD_FAC ( N_SPC_DEPV ),\n & DDBF ( N_SPC_DEPV ),\n & DEPVCR ( N_SPC_DEPV ),\n & EFAC1 ( N_SPC_DEPV ),\n & EFAC2 ( N_SPC_DEPV ),\n & EMIS_OVER_VD ( N_SPC_DEPV ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating DD_FAC, DDBF, DEPVCR, EFAC1, EFAC2, or EMIS_OVER_VDs'\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n\n IF ( PRESENT ( DDEPJ ) ) XMOSAIC = .TRUE.\n\n IF ( XMOSAIC ) THEN\n ALLOCATE ( DD_FACJ( Tile_Data%N_LUFRAC,N_SPC_DEPV ),\n & DDBFJ ( Tile_Data%N_LUFRAC,N_SPC_DEPV ),\n & DEPVJCR( Tile_Data%N_LUFRAC,N_SPC_DEPV ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating DD_FACJ, DDBFJ or DEPVJCR'\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n END IF ! if Mosaic\n\n ALLOCATE ( TMP_BD_EMIS( N_BD_EMIS ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating TMP_BD_EMIS'\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n\n ALLOCATE ( CONC( N_SPC_DIFF,NLAYS ),\n & EMIS( N_SPC_DIFF,NLAYS ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating CONC or EMIS'\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n CONC = 0.0; EMIS = 0.0 ! array assignment\n\n ALLOCATE ( DD( N_SPC_DIFF,NLAYS ),\n & UU( N_SPC_DIFF,NLAYS ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating DD or UU'\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n DD = 0.0; UU = 0.0 ! array assignment\n\n HONO_HIT = 0; HNO3_HIT = 0; NO2_HIT = 0; NH3_HIT = 0\n HNO3_MAP = 0; NO2_MAP = 0\n DO V = 1, N_SPC_DEPV\n IF ( DV2DF_SPC( V ) .EQ. 'NO2' ) THEN\n NO2_HIT = V\n NO2_MAP = DV2DF( V )\n ELSE IF ( DV2DF_SPC( V ) .EQ. 'HONO' ) THEN\n HONO_HIT = V\n ELSE IF ( DV2DF_SPC( V ) .EQ. 'HNO3' ) THEN\n HNO3_HIT = V\n HNO3_MAP = DV2DF( V )\n ELSE IF ( DV2DF_SPC( V ) .EQ. 'NH3' ) THEN\n NH3_HIT = V\n ELSE IF ( DV2DF_SPC( V ) .EQ. 'HG' ) THEN\n HG_HIT = V\n END IF\n END DO\n\n#ifdef isam\n ALLOCATE ( SA_DDBF( N_SPCTAG ), \n & SACONC( N_SPCTAG, NLAYS ),\n & SAEMIS( N_SPCTAG, NLAYS ), \n & SA_DD ( N_SPCTAG, NLAYS ),\n & SA_UU ( N_SPCTAG, NLAYS ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure ISAM diffusion variables'\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n ALLOCATE ( SAFRAC ( N_SPCTAG ),\n & SA_SUM ( NSPC_SA ),\n & ISAM_DEPV( N_SPCTAG ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure ISAM depv variables'\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n \n ALLOCATE ( SA_NO2( NTAG_SA ),\n & INDEX_SA_HONO( NTAG_SA ), \n & INDEX_SA_NH3 ( NTAG_SA ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure ISAM HONO/NH3 variables'\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n \n SACONC = 0.0\n SAEMIS = 0.0\n SA_DD = 0.0\n SA_UU = 0.0\n\n SAFRAC = 0.0\n ISAM_DEPV = 0\n SA_NO2 = 1.0 / REAL( NTAG_SA )\n INDEX_SA_HONO = 0\n INDEX_SA_NH3 = 0\n\n! set default partitioning of surface fluxes\n DO JSPCTAG = 1, N_SPCTAG\n IF ( T_SPCTAG( JSPCTAG ) .EQ. OTHRTAG ) THEN\n SAFRAC( JSPCTAG ) = 1.0\n ELSE\n SAFRAC( JSPCTAG ) = 0.0\n END IF\n END DO\n\n! find NO2 in tracked species\n DO S = 1, NSPC_SA\n IF( ISAM_SPEC( S,1 ) .EQ. 'NO2' )THEN\n ISAM_INDEX_NO2 = S\n EXIT\n END IF \n END DO\n! find NH3 in tracked species\n IF ( SA_BIDI ) THEN\n DO S = 1, NSPC_SA\n IF( ISAM_SPEC( S,1 ) .EQ. 'NH3' )THEN\n ISAM_INDEX_NH3 = S\n EXIT\n END IF\n END DO\n S = -1\n S = INDEX1( 'NH3', N_SPC_DEPV, DEPV_SPC )\n IF ( S .GT. 0 ) THEN\n PLDV_INDEX_NH3 = S\n ELSE\n XMSG = 'NH3 not found in DEPV_SPC array'\n CALL M3EXIT( 'PLDV_INDEX_NH3', 0, 0, XMSG, XSTAT1 )\n END IF\n END IF\n\n! set indices determining depv treatment, equals zero if none\n ITAG = 0\n WRITE(LOGDEV,'(/,A7,1X,2(A16,1X))')'JSPCTAG','ISAM_SPECIES','DEPV Value'\n DO JSPCTAG = 1, N_SPCTAG\n ISAM_SPECIES = ISAM_SPEC( S_SPCTAG( JSPCTAG ),1 )\n IF( TRIM( ISAM_SPECIES ) .EQ. 'HONO' )THEN\n ITAG = ITAG + 1\n INDEX_SA_HONO( ITAG ) = JSPCTAG\n END IF\n DO V = 1, N_SPC_DEPV\n IF ( TRIM( ISAM_SPECIES ) .EQ. DV2DF_SPC( V ) ) THEN\n ISAM_DEPV( JSPCTAG ) = V\n END IF \n END DO\n IF ( ISAM_DEPV( JSPCTAG ) .GT. 0 ) THEN\n V = ISAM_DEPV( JSPCTAG )\n WRITE(LOGDEV,'(I4,4X,2(A16,1X))')JSPCTAG,ISAM_SPECIES,DV2DF_SPC( V )\n ELSE\n WRITE(LOGDEV,'(I4,4X,2(A16,1X))')JSPCTAG,ISAM_SPECIES,'NONE'\n END IF \n END DO \n WRITE(LOGDEV,'(/,A4,1X,A13,1X,A16))')'ITAG','INDEX_SA_HONO','ISAM_SPECIES'\n DO ITAG = 1, NTAG_SA\n JSPCTAG = INDEX_SA_HONO( ITAG )\n IF ( JSPCTAG .GT. 0 ) THEN\n WRITE(LOGDEV,'(I2,3X,I4,8X,A16)')ITAG,JSPCTAG,VNAM_SPCTAG( JSPCTAG )\n ELSE\n WRITE(LOGDEV,'(I2,3X,I4,8X,A16)')ITAG,JSPCTAG,'MISSING'\n END IF \n END DO\nc WRITE(LOGDEV,* )'TAG_species, Default Partitioning Coeff.'\nc DO JSPCTAG = 1, N_SPCTAG\nc WRITE(LOGDEV,*)VNAM_SPCTAG( JSPCTAG ),' ,',SAFRAC( JSPCTAG )\nc END DO \n\n IF ( ABFLUX .AND. L_NH4 ) THEN\n ITAG = 0\n DO JSPCTAG = 1, N_SPCTAG\n ISAM_SPECIES = ISAM_SPEC( S_SPCTAG( JSPCTAG ),1 )\n IF( TRIM( ISAM_SPECIES ) .EQ. 'NH3' )THEN\n ITAG = ITAG + 1\n INDEX_SA_NH3( ITAG ) = JSPCTAG\n END IF\n END DO\n\nc DO ITAG = 1, NTAG_SA\nc JSPCTAG = INDEX_SA_NH3( ITAG )\nc SAFRAC( JSPCTAG ) = 0.0 ! to not double count the bi-di emmissions\nc END DO\n END IF\n#endif\n \n END IF ! if Firstime\n\nC ------------------------------------------- Row, Col LOOPS -----------\n\n DO 345 R = 1, NROWS\n DO 344 C = 1, NCOLS\n DZH(1) = Met_Data%ZF( C,R,1 )\n DZHI(1) = 1./DZH(1)\n DO L = 2, NLAYS\n DZH(L) = Met_Data%ZF( C,R,L ) - Met_Data%ZF( C,R,L-1 ) \n DZHI(L) = 1./DZH(L)\n ENDDO\n DO L = 1, NLAYS - 1\n DZFI(L) = 1. / ( Met_Data%ZH( C,R,L+1 ) - Met_Data%ZH( C,R,L ) )\n ENDDO\n DZFI(NLAYS) = DZFI(NLAYS-1)\n\nC for ACM time step\n DTLIM = DTSEC\n\nC dt = .75 dzf*dzh / Kz\n DO L = 1, NLAYS - 1\n DTLIM = MIN( DTLIM, 0.75 / ( SEDDY( L,C,R ) * DZHI(L)*DZFI(L) ) )\n END DO\n MBARKS = 0.0 ! array assignment\n MDWN = 0.0 ! array assignment\n\nC conjoin ACM & EDDY ---------------------------------------------------\n\n MBAR = 0.0\n FNL = 0.0\n\n IF ( Met_Data%CONVCT( C,R ) ) THEN ! Do ACM for this column\n LCBL = Met_Data%LPBL( C,R )\n MEDDY = SEDDY( 1,C,R ) * DZFI(1) / (Met_Data%PBL( C,R ) - Met_Data%ZF(C,R,1))\n FNL = 1.0 / ( 1.0 + ( ( KARMAN / ( -Met_Data%HOL( C,R ) ) ) ** 0.3333 )\n & / ( 0.72 * KARMAN ) )\n MBAR = MEDDY * FNL\n IF ( MEDDY .LT. EPS ) THEN\n gl_c = c + COLSX_PE(1,mype+1) -1\n gl_r = r + ROWSX_PE(1,mype+1) -1\n WRITE( LOGDEV,* ) ' Warning --- MEDDY < 1e-6 s-1'\n WRITE( LOGDEV,* ) ' SEDDY, MEDDY, FNL, HOL = ',\n & SEDDY( 1,C,R ), MEDDY, FNL, Met_Data%HOL( C,R )\n XMSG = '*** ACM fails ***'\n WRITE( LOGDEV,*)' c,r=', gl_c,gl_r,' pbl,ust=',Met_Data%PBL( C,R ),Met_Data%USTAR( C,R )\n! CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT2 )\n END IF\n\n IF ( ( FNL .LE. 0.0 ) .OR. ! never gonna happen for CONVCT\n & ( LCBL .GE. NLAYS-1 ) .OR. ! .GT. never gonna happen\n & ( Met_Data%HOL( C,R ) .GT. -0.00001 ) ) ! never gonna happen\n & WRITE( LOGDEV,1015 ) LCBL, MBAR, FNL, SEDDY( 1,C,R ), Met_Data%HOL( C,R )\n1015 FORMAT( ' LCBL, MBAR, FNL, SEDDY1, HOL:', I3, 1X, 4(1PE13.5) )\n\n DO L = 2, LCBL \n SEDDY( L,C,R ) = ( 1.0 - FNL ) * SEDDY( L,C,R )\n MBARKS( L ) = MBAR\n MDWN( L ) = MBAR * (Met_Data%PBL( C,R ) - Met_Data%ZF(C,R,L-1)) * DZHI(L)\n END DO\n SEDDY( 1,C,R ) = ( 1.0 - FNL ) * SEDDY( 1,C,R )\n MBARKS(1) = MBAR\n MBARKS(LCBL) = MDWN(LCBL)\n MDWN(LCBL+1) = 0.0\n\nC Modify Timestep for ACM \n RZ = (Met_Data%ZF(C,R,LCBL) - Met_Data%ZF(C,R,1)) * DZHI(1)\n DTACM = 1.0 / ( MBAR * RZ )\n DTLIM = MIN( 0.75 * DTACM, DTLIM )\n ELSE\n LCBL = 1\n END IF\n\nC-----------------------------------------------------------------------\n\n NLP = INT( DTSEC / DTLIM + 0.99 )\n IF ( VDIFFDIAG ) NLPCR( C,R ) = REAL( NLP )\n DTS = DTSEC / REAL( NLP )\n DTDENS1 = DTS * Met_Data%DENS1( C,R )\n DFACP = THETA * DTS\n DFACQ = THBAR * DTS\n\n#ifdef Verbose_Vdiff\n IF ( R .EQ. MY_NROWS / 2 .AND. C .EQ. MY_NCOLS / 2 )\n & WRITE( LOGDEV,1021 ) Met_Data%CONVCT( C,R ), DTS, EDDYV( C,R,1 ), MBAR, FNL\n1021 FORMAT( ' CONVCT, DTS, EDDYV, MBAR, FNL: ', L3, 1X, 4(1PE13.5) )\n#endif\n\n#ifdef isam\n SA_SUM = 0.0\n DO V = 1, NSPC_SA\n DO ITAG = 1, NTAG_SA\n SA_SUM( V ) = SA_SUM( V ) + ISAM( C,R,1,V,ITAG )\n END DO\n SA_SUM( V ) = MAX ( 1.0E-30, SA_SUM( V ) )\n END DO\n\n SAFRAC = 0.0\n DO JSPCTAG = 1, N_SPCTAG\n SAFRAC( JSPCTAG ) = SACONC( JSPCTAG,1 ) / SA_SUM ( S_SPCTAG( JSPCTAG ) ) \n END DO\n\n IF ( ABFLUX .AND. L_NH4 ) THEN\n DO ITAG = 1, NTAG_SA\n JSPCTAG = INDEX_SA_NH3( ITAG )\n SAFRAC( JSPCTAG ) = 0.0 ! to not double count the bi-di emmissions\n END DO\n END IF\n\n IF( L_NO3 .AND. SFC_HONO ) THEN\n! compute the flux partitioning for HONO from NO2 surface reaction\n DO ITAG = 1, NTAG_SA\n SA_NO2( ITAG ) = MAX( ISAM( C,R,1,ISAM_INDEX_NO2,ITAG ), 1.0E-30 )\n END DO\n TOTAL_SA_NO2 = 1.0 / SUM( SA_NO2 )\n DO ITAG = 1, NTAG_SA\n JSPCTAG = INDEX_SA_HONO( ITAG )\n SAFRAC( JSPCTAG ) = SA_NO2( ITAG ) * TOTAL_SA_NO2 \n END DO \n END IF \n#endif\n\n DO L = 1, NLAYS\n DO V = 1, N_SPC_DIFF\n CONC( V,L ) = CNGRD( DIFF_MAP( V ),L,C,R )\n END DO\n#ifdef isam\n DO JSPCTAG = 1, N_SPCTAG\n SACONC( JSPCTAG,L ) = ISAM( C,R,L,S_SPCTAG( JSPCTAG ),T_SPCTAG( JSPCTAG ) )\n END DO\n#endif\n END DO\n\n EMIS = 0.0 ! array assignment\n IF ( DESID_N_SRM .GE. 1 ) \n & EMIS( :,1:DESID_LAYS ) = DTS * VDEMIS_DIFF( :,:,C,R )\n\n#ifdef isam\n SAEMIS = 0.0\n\n! modify ground emissions for bidirectional species (for bidi, BIDI_VDEMIS > 0.0)\n IF ( SA_BIDI ) THEN\n SA_VDEMIS_DIFF( ISAM_INDEX_NH3,1,C,R,BIDITAG )\n & = Tile_Data%Bidi_Emis( C, R, Tile_Data%dep2vdiff( PLDV_INDEX_NH3 ) )\n END IF\n\n! collapse ISAM emissions array\n DO L = 1, DESID_LAYS\n DO ITAG = 1, NTAG_SA\n BOT = (ITAG-1)*NSPC_SA+1\n TOP = NSPC_SA*ITAG\n SAEMIS( BOT:TOP,L ) = DTS * SA_VDEMIS_DIFF( :,L,C,R,ITAG )\n END DO\n END DO\n#endif\n\n DO L = 1, NLAYS\n DFSP( L ) = DFACP * DZHI( L )\n DFSQ( L ) = DFACQ * DZHI( L )\n EDDY( L ) = SEDDY( L,C,R ) * DZFI(L)\n END DO\n\n RP = DFACP * Met_Data%RDEPVHT( C,R )\n RQ = DFACQ * Met_Data%RDEPVHT( C,R )\n EMIS_OVER_VD = 0.0\n DO V = 1, N_SPC_DEPV\n DDBF( V ) = DDEP( V,C,R )\n DEPVCR( V ) = Tile_Data%Vd_Fac( Tile_Data%dep2vdiff( V ) ) * \n & Tile_Data%Grd_Vd( C,R,Tile_Data%dep2vdiff( V ) )\n DD_FAC( V ) = DTDENS1 * DD_CONV( V ) * DEPVCR( V )\n EFAC1 ( V ) = EXP( -DEPVCR( V ) * RP )\n EFAC2 ( V ) = EXP( -DEPVCR( V ) * RQ )\n If( Tile_Data%Bidi_Emis( C, R, Tile_Data%dep2vdiff( V ) ) .Gt. 0.0 ) Then\n If(DEPVCR( V ) .Eq. 0.0) Then\n Write(Logdev,*) 'Warning: A deposition velocity of 0 m/s was detected with a production term greater' \n Write(Logdev,*) 'than zero. Check for DEPV_FACs less than zero in the species name list for model species:'\n Write(Logdev,*) DV2DF_SPC( V ), 'depvcr', DEPVCR( V ), 'bidi emissions', \n & Tile_Data%Bidi_Emis( C, R, Tile_Data%dep2vdiff( V ) )\n DEPVCR( V ) = tiny( 0.0 )\n End If\n EMIS_OVER_VD( V ) = Tile_Data%Bidi_Emis( C, R, Tile_Data%dep2vdiff( V ) ) / DEPVCR( V ) \n End If\n IF ( ABFLUX ) THEN\n TMP_BD_EMIS( NH3_E ) = TOT_BD_EMIS( NH3_E,C,R )\n END IF\n IF ( HGBIDI ) THEN\n TMP_BD_EMIS( HG_E ) = TOT_BD_EMIS( HG_E,C,R )\n END IF \n IF ( SFC_HONO ) THEN \n TMP_BD_EMIS( HONO_E ) = TOT_BD_EMIS( HONO_E,C,R )\n END IF \n END DO\n PLDV_HONO = Tile_Data%Bidi_Emis( C, R, Tile_Data%dep2vdiff( HONO_HIT ) )\n\n#ifdef isam\n DO JSPCTAG = 1, N_SPCTAG\n SA_DDBF( JSPCTAG ) = SA_DDEP( C,R,JSPCTAG )\n END DO\n#endif\n\nC These don`t change in the NLP sub-time step loop:---------------------\n DO L = 1, NLAYS\n AA ( L ) = 0.0\n BB1( L ) = 0.0\n EE1( L ) = 0.0\n CC ( L ) = 0.0\n EE2( L ) = 0.0\n BB2( L ) = 0.0\n END DO\n IF ( Met_Data%CONVCT( C,R ) ) THEN\n L = 1\n DELP = Met_Data%PBL( C,R ) - Met_Data%ZF( C,R,L )\n BB1( L ) = 1.0 + DELP * DFSP( L ) * MBARKS( L )\n LFAC1( L ) = DFSQ( L ) * DELP * MBARKS( L )\n LFAC2( L ) = DFSQ( L ) * MDWN( L+1 ) * DZH( L+1 )\n DO L = 2, LCBL\n AA ( L ) = -DFACP * MBARKS( L )\n BB1( L ) = 1.0 + DFACP * MDWN( L )\n EE1( L ) = -DFSP( L-1 ) * DZH( L ) * MDWN( L )\n MFAC( L ) = DZH( L+1 ) * DZHI( L ) * MDWN( L+1 )\n END DO\n END IF\n\n DO L = 1, NLAYS\n EE2( L ) = - DFSP( L ) * EDDY( L )\n LFAC3( L ) = DFSQ( L ) * EDDY( L )\n END DO\n\n BB2( 1 ) = 1.0 - EE2( 1 )\n DO L = 2, NLAYS\n CC ( L ) = - DFSP( L ) * EDDY( L-1 )\n BB2( L ) = 1.0 - CC( L ) - EE2( L )\n LFAC4( L ) = DFSQ( L ) * EDDY( L-1 )\n END DO\nC ----------------------------------------------------------------------\n\n IF ( XMOSAIC ) THEN\n DDBFJ( :,: ) = DDEPJ( :,:,C,R ) \n DO L = 1, Tile_Data%n_lufrac\n DEPVJCR( L,: ) = Tile_Data%Vd_Fac( Tile_Data%dep2vdiff ) * \n & Tile_Data%Lu_Vd( C,R,Tile_Data%dep2vdiff,L )\n DD_FACJ( L,: ) = DTDENS1 * DD_CONV( : ) * DEPVJCR( L,: )\n END DO\n END IF\n\nC-----------------------------------------------------------------------\n\n DO 301 NL = 1, NLP ! loop over sub time\n\n DO V = 1, N_SPC_DEPV\n\nC --------- HET HONO RX -----------------\n\n\nC Use special treatment for HNO3\nC HNO3 produced via the heterogeneous reaction sticks on surfaces and\nC is accounted as depositional loss; calculate increased deposition loss\n IF ( V .EQ. HNO3_HIT ) THEN\n S = HNO3_MAP\n CONC( S,1 ) = EMIS_OVER_VD( V ) + ( CONC( S,1 ) - EMIS_OVER_VD( V ) ) * EFAC1( V )\n DEPV_HNO3 = DEPVCR( V ) + PLDV_HONO / CONC( NO2_MAP,1 )\n DD_FAC( V ) = DTDENS1 * DD_CONV( V ) * DEPV_HNO3\n DDBF( V ) = DDBF( V ) + THETA * DD_FAC( V ) * CONC( S,1 )\n\nC Use special treatment for NO2\nC Loss of NO2 via the heterogeneous reaction is accounted for as an additional\nC depositional loss. Add the loss of NO2 via the heterogeneous reaction\nC to the regular deposition velocity (increased dep. vel.). This will\nC reduce the NO2 conc. in the atmosphere without affecting the depositional loss.\n ELSE IF ( V .EQ. NO2_HIT ) THEN\n S = NO2_MAP\n DEPV_NO2 = DEPVCR( V ) + 2.0 * PLDV_HONO / CONC( S,1 )\n EFAC1 ( V ) = EXP( -DEPV_NO2 * RP )\n EFAC2 ( V ) = EXP( -DEPV_NO2 * RQ )\n EMIS_OVER_VD( V ) = Tile_Data%Bidi_Emis( C, R, Tile_Data%dep2vdiff( V ) ) / DEPV_NO2\n CONC( S,1 ) = EMIS_OVER_VD( V ) + ( CONC( S,1 ) - EMIS_OVER_VD( V ) ) * EFAC1( V )\n DDBF( V ) = DDBF( V ) + THETA * DD_FAC( V ) * CONC( S,1 )\n \nC --------- END of HET HONO RX ----------\n\n ELSE\n\n\nC Pass selected N species to the BDSNP Soil NO emissions scheme\n\n IF ( MGN_ONLN_DEP ) THEN\n\n IF(SPECLOG) then\n IF( V .eq. N_SPC_DEPV) THEN\n SPECLOG = .false. ! no need to do any species more than once\n WRITE( LOGDEV,*) 'BDSNP Species list complete', speclog\n END IF\n END IF\n\n IF ( (INDEX(TRIM( DV2DF_SPC( V ) ), 'NH3') .NE. 0) .OR.\n & (INDEX(TRIM( DV2DF_SPC( V ) ), 'NH4') .NE. 0) .OR. \n & (INDEX(TRIM( DV2DF_SPC( V ) ), 'HNO3').NE. 0) .OR.\n & (INDEX(TRIM( DV2DF_SPC( V ) ), 'NO3') .NE. 0) .OR.\n & (INDEX(TRIM( DV2DF_SPC( V ) ), 'NO2') .NE. 0) .OR.\n & (INDEX(TRIM( DV2DF_SPC( V ) ), 'PAN') .NE. 0)) THEN\n\n\n IF( SPECLOG ) THEN !write species each time it is used\n WRITE( LOGDEV,*) 'BDSNP Dry Species Used:', TRIM(DV2DF_SPC( V ) ), V, N_SPC_DEPV\n END IF\n\n IF ( ( DDBF(V)- DDEP( V,C,R) ) .LT. 0.0 ) THEN !negative error checking\n\n XMSG = 'Negative Deposition'\n! WRITE( LOGDEV,*) 'BDSNP Negative Deposition vdiff, variable:', \n! & TRIM( DV2DF_SPC( V )), ( DDBF(V)- DDEP( V,C,R) ), C, R \n! CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n CALL GET_N_DEP (DV2DF_SPC( V ), 0/\n & DTSEC, C, R )\n else\n CALL GET_N_DEP (DV2DF_SPC( V ), ( DDBF(V)- DDEP( V,C,R) )/\n & DTSEC, C, R )\n END IF !end negative error checking\n\n \n END IF !end species check\n \n END IF !end BDSNP check\n\n S = DV2DF( V )\n CONC( S,1 ) = EMIS_OVER_VD( V ) + ( CONC( S,1 ) - EMIS_OVER_VD( V ) ) * EFAC1( V )\n DDBF( V ) = DDBF( V ) + THETA * DD_FAC( V ) * CONC( S,1 )\n\n IF ( ABFLUX .AND. V .EQ. NH3_HIT ) THEN\n TMP_BD_EMIS( NH3_E ) = TMP_BD_EMIS( NH3_E ) + \n & THETA * Tile_Data%Bidi_Emis( C, R, Tile_Data%dep2vdiff( V ) ) * DD_CONV( V ) * DTDENS1\n END IF\n IF ( HGBIDI .AND. V .EQ. HG_HIT ) THEN\n TMP_BD_EMIS( HG_E ) = TMP_BD_EMIS( HG_E ) + \n & THETA * Tile_Data%Bidi_Emis( C, R, Tile_Data%dep2vdiff( V ) ) * DD_CONV( V ) * DTDENS1 \n END IF\n IF ( SFC_HONO .AND. V .EQ. HONO_HIT ) THEN\n TMP_BD_EMIS( HONO_E ) = TMP_BD_EMIS( HONO_E ) + \n & THETA * Tile_Data%Bidi_Emis( C, R, Tile_Data%dep2vdiff( V ) ) * DD_CONV( V ) * DTDENS1 \n END IF\n END IF\n\n END DO\n \n IF ( XMOSAIC ) THEN\n DO V = 1, N_SPC_DEPV\nC --------------- HET HONO RX -----------------\n IF ( V .EQ. HNO3_HIT ) THEN\n S = HNO3_MAP\n WHERE( Tile_Data%LUFRAC( c,r,: ) .GT. 0.0 ) \n DD_FACJ( :,V ) = DTDENS1 * DD_CONV( V ) * DEPVJCR( :,V ) + PLDV_HONO / CONC( NO2_MAP,1 )\n DDBFJ( :,V ) = DDBFJ( :,V ) + THETA * DD_FACJ( :,V ) * CONC( S,1 )\n END WHERE\n ELSE IF ( V .EQ. NO2_HIT ) THEN \n S = NO2_MAP\n WHERE( Tile_Data%LUFRAC( c,r,: ) .GT. 0.0 .AND. DEPVJCR( :,V ) .GT. 0.0 ) \n DDBFJ ( :,V ) = DDBFJ( :,V ) + THETA * DD_FACJ( :,V ) * CONC( S,1 )\n END WHERE\nC --------------- END of HET HONO RX ----------\n ELSE\n S = DV2DF( V )\n WHERE( Tile_Data%LUFRAC( c,r,: ) .GT. 0.0 ) \n DDBFJ( :,V ) = DDBFJ( :,V )\n & + THETA * DD_FACJ( :,V ) * CONC( S,1 )\n END WHERE\n END IF\n END DO\n END IF ! MOSAIC\n\n DO L = 1, NLAYS\n DO V = 1, N_SPC_DIFF\n DD( V,L ) = 0.0\n UU( V,L ) = 0.0\n END DO\n END DO\n\n#ifdef isam\n DO JSPCTAG = 1, N_SPCTAG\n S = ISAM_DEPV( JSPCTAG )\n IF ( S .GT. 0 ) THEN\n SACONC( JSPCTAG,1 ) = SACONC( JSPCTAG,1 ) * EFAC1( S )\n & + SAFRAC( JSPCTAG ) * EMIS_OVER_VD( S ) * ( 1.0 - EFAC1( S ) ) \n SA_DDBF( JSPCTAG ) = SA_DDBF( JSPCTAG )\n & + THETA * DD_FAC( S ) * SACONC( JSPCTAG,1 )\n END IF\n END DO\n\n DO L = 1, NLAYS\n DO V = 1, N_SPCTAG\n SA_DD( V,L ) = 0.0\n SA_UU( V,L ) = 0.0\n END DO\n END DO\n#endif\n\nC Compute tendency of CBL concentrations - semi-implicit solution\nC Set MATRIX1 elements A (col 1), B (diag.), E (superdiag.) and D (RHS)\n\n IF ( Met_Data%CONVCT( C,R ) ) THEN\n\n L = 1\n DO V = 1, N_SPC_DIFF\n DD( V,L ) = CONC( V,L )\n & - LFAC1( L ) * CONC( V,L )\n & + LFAC2( L ) * CONC( V,L+1 ) \n END DO\n\n#ifdef isam\n DO JSPCTAG = 1, N_SPCTAG\n SA_DD( JSPCTAG, L) = SACONC( JSPCTAG,L )\n & - LFAC1( L ) * SACONC( JSPCTAG,L )\n & + LFAC2( L ) * SACONC( JSPCTAG,L+1 )\n ENDDO\n#endif\n\n DO L = 2, LCBL\n DO V = 1, N_SPC_DIFF\n DELC = MBARKS( L ) * CONC( V,1 )\n & - MDWN( L ) * CONC( V,L )\n & + MFAC( L ) * CONC( V,L+1 )\n DD( V,L ) = CONC( V,L ) + DFACQ * DELC\n END DO\n\n#ifdef isam\n DO JSPCTAG = 1, N_SPCTAG\n DELC = MBARKS( L ) * SACONC( JSPCTAG,1 )\n & - MDWN( L ) * SACONC( JSPCTAG,L )\n & + MFAC( L ) * SACONC( JSPCTAG,L+1 )\n SA_DD( JSPCTAG,L ) = SACONC( JSPCTAG,L ) + DFACQ * DELC\n END DO\n#endif\n\n END DO\n\n CALL MATRIX1 ( LCBL, AA, BB1, EE1, DD, UU )\n#ifdef isam \n CALL SA_MATRIX1( LCBL, AA, BB1,EE1, SA_DD, SA_UU)\n#endif\n\nC update conc\n DO L = 1, LCBL\n DO V = 1, N_SPC_DIFF\n CONC( V,L ) = UU( V,L )\n END DO\n#ifdef isam\n DO JSPCTAG = 1, N_SPCTAG\n SACONC ( JSPCTAG,L ) = SA_UU( JSPCTAG,L )\n ENDDO\n#endif\n END DO\n\nC reinitialize for TRI solver\n DO L = 1, NLAYS\n DO V = 1, N_SPC_DIFF\n DD( V,L ) = 0.0\n UU( V,L ) = 0.0\n END DO\n#ifdef isam\n DO JSPCTAG = 1, N_SPCTAG\n SA_DD( JSPCTAG,L ) = 0.0\n SA_UU( JSPCTAG,L ) = 0.0\n ENDDO\n#endif\n END DO\n\n END IF\n\n L = 1\n DO V = 1, N_SPC_DIFF\n DD( V,L ) = CONC( V,L )\n & + LFAC3( L ) * ( CONC( V,L+1 ) - CONC( V,L ) )\n & + EMIS( V,L )\n END DO\n\n#ifdef isam\n DO JSPCTAG = 1, N_SPCTAG\n SA_DD( JSPCTAG,L ) = SACONC( JSPCTAG,L )\n & + LFAC3( L ) * ( SACONC( JSPCTAG,L+1 ) - SACONC( JSPCTAG,L ) )\n & + SAEMIS( JSPCTAG,L )\n END DO\n#endif\n\n DO L = 2, NLAYS-1\n DO V = 1, N_SPC_DIFF\n DD( V,L ) = CONC( V,L )\n & + LFAC3( L ) * ( CONC( V,L+1 ) - CONC( V,L ) )\n & - LFAC4( L ) * ( CONC( V,L ) - CONC( V,L-1 ) )\n & + EMIS( V,L )\n END DO\n#ifdef isam\n DO JSPCTAG = 1, N_SPCTAG\n SA_DD( JSPCTAG,L ) = SACONC( JSPCTAG,L )\n & + LFAC3( L ) * ( SACONC( JSPCTAG,L+1 ) - SACONC( JSPCTAG,L ) )\n & - LFAC4( L ) * ( SACONC( JSPCTAG,L ) - SACONC( JSPCTAG,L-1 ) )\n & + SAEMIS( JSPCTAG,L )\n END DO\n#endif\n END DO\n\n L = NLAYS\n DO V = 1, N_SPC_DIFF\n DD( V,L ) = CONC( V,L )\n & - LFAC4( L ) * ( CONC( V,L ) - CONC( V,L-1 ) )\n END DO\n#ifdef isam\n DO JSPCTAG = 1, N_SPCTAG\n SA_DD( JSPCTAG,L ) = SACONC( JSPCTAG,L )\n & - LFAC4( L ) * ( SACONC( JSPCTAG,L ) - SACONC( JSPCTAG,L-1 ) )\n END DO\n#endif\n\n CALL TRI ( CC, BB2, EE2, DD, UU )\n#ifdef isam\n CALL SA_TRI ( CC, BB2, EE2, SA_DD, SA_UU )\n#endif\n\nC Load into CGRID\n DO L = 1, NLAYS\n DO V = 1, N_SPC_DIFF\n CONC( V,L ) = UU( V,L )\n END DO\n#ifdef isam\n DO JSPCTAG = 1, N_SPCTAG\n SACONC( JSPCTAG,L ) = SA_UU( JSPCTAG,L )\n END DO\n#endif\n END DO\n \n DO V = 1, N_SPC_DEPV\n\nC --------- HET HONO RX -----------------\n\n IF ( V .EQ. HNO3_HIT ) THEN\n S = HNO3_MAP\n CONC( S,1 ) = EMIS_OVER_VD( V ) + ( CONC( S,1 ) - EMIS_OVER_VD( V ) ) * EFAC2( V )\n DDBF( V ) = DDBF( V ) + THBAR * DD_FAC( V ) * CONC( S,1 )\n\n ELSE IF ( V .EQ. NO2_HIT ) THEN\n S = NO2_MAP\n CONC( S,1 ) = EMIS_OVER_VD( V ) + ( CONC( S,1 ) - EMIS_OVER_VD( V ) ) * EFAC2( V )\n DDBF( V ) = DDBF( V ) + THBAR * DD_FAC( V ) * CONC( S,1 )\n\nC --------- END of HET HONO RX ----------\n\n ELSE\n S = DV2DF( V )\n CONC( S,1 ) = EMIS_OVER_VD( V ) + ( CONC( S,1 ) - EMIS_OVER_VD( V ) ) * EFAC2( V )\n DDBF( V ) = DDBF( V ) + THBAR * DD_FAC( V ) * CONC( S,1 )\n IF ( ABFLUX .AND. V .EQ. NH3_HIT ) THEN\n TMP_BD_EMIS( NH3_E ) = TMP_BD_EMIS( NH3_E ) + \n & THBAR * Tile_Data%Bidi_Emis( C, R, Tile_Data%dep2vdiff( V ) ) * DD_CONV( V ) * DTDENS1 \n END IF\n IF ( HGBIDI .AND. V .EQ. HG_HIT ) THEN\n TMP_BD_EMIS( HG_E ) = TMP_BD_EMIS( HG_E ) + \n & THBAR * Tile_Data%Bidi_Emis( C, R, Tile_Data%dep2vdiff( V ) ) * DD_CONV( V ) * DTDENS1 \n END IF\n IF ( SFC_HONO .AND. V .EQ. HONO_HIT ) THEN\n TMP_BD_EMIS( HONO_E ) = TMP_BD_EMIS( HONO_E ) + \n & THBAR * Tile_Data%Bidi_Emis( C, R, Tile_Data%dep2vdiff( V ) ) * DD_CONV( V ) * DTDENS1 \n END IF\n\n END IF\n\n END DO\n \n IF ( XMOSAIC ) THEN\n DO V = 1, N_SPC_DEPV\nC --------- HET HONO RX -----------------\n IF ( V .EQ. HNO3_HIT ) THEN\n S = HNO3_MAP\n WHERE( Tile_Data%LUFRAC( c,r,: ) .GT. 0.0 )\n DD_FACJ( :,V ) = DTDENS1 * DD_CONV( V ) * DEPVJCR( :,V ) + PLDV_HONO / CONC( NO2_MAP,1 )\n DDBFJ( :,V ) = DDBFJ( :,V ) + THBAR * DD_FACJ( :,V ) * CONC( S,1 )\n END WHERE\n ELSE IF ( V .EQ. NO2_HIT ) THEN \n S = NO2_MAP\n WHERE( Tile_Data%LUFRAC( c,r,: ) .GT. 0.0 .AND. DEPVJCR( :,V ) .GT. 0.0 ) \n DDBFJ ( :,V ) = DDBFJ( :,V ) + THETA * DD_FACJ( :,V ) * CONC( S,1 )\n END WHERE\nC --------- END of HET HONO RX ----------\n ELSE\n S = DV2DF( V )\n WHERE( Tile_Data%LUFRAC( c,r,: ) .GT. 0.0 )\n DDBFJ( :,V ) = DDBFJ( :,V ) + THBAR * DD_FACJ( :,V ) * CONC( S,1 )\n END WHERE\n END IF\n END DO\n END IF ! MOSAIC\n#ifdef isam\nC Update ISAM Dry Deposition\n DO JSPCTAG = 1, N_SPCTAG\n S = ISAM_DEPV( JSPCTAG )\n IF ( S .GT. 0 ) THEN\n SACONC( JSPCTAG,1 ) = SACONC( JSPCTAG,1 ) * EFAC2( S )\n & + SAFRAC( JSPCTAG ) * EMIS_OVER_VD( S ) * ( 1.0 - EFAC2( S ) ) \n SA_DDBF( JSPCTAG ) = SA_DDBF( JSPCTAG )\n & + THBAR * DD_FAC( S ) * SACONC( JSPCTAG,1 )\n END IF\n END DO\n#endif\n\n301 CONTINUE ! end sub time loop\n\n DO L = 1, NLAYS\n DO V = 1, N_SPC_DIFF\n CNGRD( DIFF_MAP( V ),L,C,R ) = CONC( V,L )\n END DO\n#ifdef isam\n DO JSPCTAG = 1, N_SPCTAG\n IF( TRANSPORT_SPC( JSPCTAG ) )THEN\n ISAM( C,R,L,S_SPCTAG( JSPCTAG ),T_SPCTAG( JSPCTAG ) ) = SACONC( JSPCTAG,L )\n END IF\n END DO\n#endif\n END DO\n\n DO V = 1, N_SPC_DEPV\n DDEP( V,C,R ) = DDBF( V )\n END DO\n\n IF ( ABFLUX ) THEN\n TOT_BD_EMIS( NH3_E,C,R ) = TMP_BD_EMIS( NH3_E )\n END IF\n IF ( HGBIDI ) THEN\n TOT_BD_EMIS( HG_E,C,R ) = TMP_BD_EMIS( HG_E )\n END IF \n IF ( SFC_HONO ) THEN \n TOT_BD_EMIS( HONO_E,C,R ) = TMP_BD_EMIS( HONO_E )\n END IF \n \n IF ( XMOSAIC ) THEN\n DDEPJ( :,:,C,R ) = DDBFJ( :,: )\n END IF\n\n#ifdef isam\n DO JSPCTAG = 1, N_SPCTAG\n SA_DDEP( C,R,JSPCTAG ) = SA_DDBF( JSPCTAG )\n END DO\n#endif\n\n344 CONTINUE ! end loop on col C\n345 CONTINUE ! end loop on row R\n\n RETURN\n END\n" }, { "path": "CCTM/src/vdiff/acm2_stage/vdiffproc.F", "content": "!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE VDIFF ( CGRID, JDATE, JTIME, TSTEP )\n\nC-----------------------------------------------------------------------\nC Asymmetric Convective Model v2 (ACM2) -- Pleim(2006)\nC Function:\nC calculates and writes dry deposition.\nC calculates vertical diffusion\n\nC Subroutines and Functions Called:\nC SEC2TIME, TIME2SEC, WRITE3, NEXTIME,\nC M3EXIT, EDDYX, TRI, MATRIX, PA_UPDATE_EMIS, PA_UPDATE_DDEP\n\nC Revision History:\nC Analogous to VDIFFIM (Eddy diffusion PBL scheme)\n\nC 31 Jan 05 J.Young: dyn alloc - establish both horizontal & vertical\nC domain specifications in one module (GRID_CONF)\nC 7 Jun 05 P.Bhave: added call to OPSSEMIS if MECHNAME='AE4';\nC added TSTEP to RDEMIS_AE call vector\nC Aug 05 J. Pleim Update to v4.5\nC\nC Jan 06 J. Pleim ACM2 implementation\nC Jul 06 J.Young: emis module\nC Nov 06 B.Hutzell, J.Young: depv module\nC Mar 08 G.Sarwar: added heterogeneous reaction for HONO. It affects HONO, NO2 and HNO3\nC Apr 08 J.Young: optional inline beis and plume rise emissions\nC 21 Jun 10 J.Young: convert for Namelist redesign\nC 16 Feb 11 S.Roselle: replaced I/O API include files with UTILIO_DEFN\nC 10 May 11 J.Bash: updated for NH3 bidirectional exchange\nC 11 May 11 D.Wong: - incorporated twoway model implementation\nC 20 May 11 D.Schwede: modified to include mosaic\nC 15 Aug 11 D.Schwede and G. Sarwar: Modified HONO calculation so that deposition\nC velocity for NO2 that is output in DEPV file does not include the loss due\nC to the heterogeneous reaction.\nC This additional loss is now accounted for in vdiff.F\nC 14 Sep 11 J.Young: fix TSTEP bug in call to DEPV_INIT\nC 11 Apr 13 J.Young: fix double adjustment of conc for DDBF in heterogeneous HONO\nC if-then-else clauses; eliminate some white space\nC 13 May 13 J.Young: access met data from VDIFF_MET module\nC change CRANKP to THBAR, CRANKQ to THETA\nC 25 May 13 J.Young: re-do the acm/eddy algorithm for computational efficiency\nC 30 Apr 14 J.Young: switch THBAR and THETA\nC 2 May 14 J.Pleim, J.Young: replace the banded tridiagonal matrix solver for the\nC convective PBL, with the ACM1 matrix solver followed by the tridiagonal\nC matrix solver\nC 30 May 14 J.Young: split vdiff calculation out of vdiff proc.\nC 31 Jul 14 J.Young: incorporate gravitational settling for J-,K-mode aerosols\nC 07 Nov 14 J.Bash: Updated for the ASX_DATA_MOD shared data module. \nC 03 Jul 15 J.Young: put sedi stuff into a module\nC 13 Aug 15 J.Bash: updated for MP model\nC 15 Aug 15 D.Wong: - Replaced MYPE with IO_PE_INCLUSIVE for parallel I/O \nC implementation\nC - Added a block of code to allow non I/O processors\nC to open CTM_DRY_DEP_1, CTM_VSED_DIAG, CTM_VDIFF_DIAG,\nC CTM_DRY_DEP_MOS, and CTM_DRY_DEP_FST\nC 03 Mar 16 G.Sarwar: updated for halogen emissions\nC 16 Sep 16 J.Young: update for inline procan (IPR)\nC 10 Feb 19 D.Wong: removed all MY_N clauses\nC-----------------------------------------------------------------------\n\n USE CGRID_SPCS ! CGRID mechanism species\n USE GRID_CONF\n USE DESID_VARS, ONLY : VDEMIS_DIFF, DESID_LAYS\n USE DESID_MODULE, ONLY : DESID_INIT, DESID_DRIVER\n USE DEPV_DEFN\n USE ASX_DATA_MOD\n USE VDIFF_MAP\n USE UTILIO_DEFN\n USE BIDI_MOD\n USE HGSIM\n Use MOSAIC_MOD, Only: Tile_Data\n USE SEDIMENTATION\n USE VDIFF_DIAG\n USE PA_UPDATE\n USE PA_DEFN, ONLY : LIPR, BUDGET_DIAG\n\n#ifdef isam\n USE SA_DEFN, Only: ITAG, N_SPCTAG, VNAM_SPCTAG, SA_DDEP\n#endif\n\n IMPLICIT NONE\n\n INCLUDE SUBST_FILES_ID ! file name parameters\n\n CHARACTER( 120 ) :: XMSG = ' '\n\nC Arguments:\n\n REAL, POINTER :: CGRID( :,:,:,: ) ! concentrations\n INTEGER JDATE ! current model date, coded YYYYDDD\n INTEGER JTIME ! current model time, coded HHMMSS\n INTEGER TSTEP( 3 ) ! time step vector (HHMMSS)\n ! TSTEP(1) = local output step\n ! TSTEP(2) = sciproc sync. step (chem)\n ! TSTEP(3) = twoway model time step w.r.t. wrf time\n ! step and wrf/cmaq call frequency\n\nC Parameters:\n\nC External Functions: None\n\nC Local Variables: \n CHARACTER( 16 ), SAVE :: PNAME = 'VDIFFPROC'\n\n CHARACTER( 80 ) :: VARDESC ! env variable description\n\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n LOGICAL, SAVE :: WRITE_FIRSTIME = .TRUE.\n INTEGER, SAVE :: WSTEP = 0 ! local write counter\n INTEGER STATUS ! ENV... status\n\n REAL FCMSF ! loop local RMSFX4( C,R )\n\n REAL, ALLOCATABLE, SAVE :: CNGRD ( :,:,:,: ) ! cgrid aero in mixing ratio\n REAL, ALLOCATABLE, SAVE :: DDEP ( :,:,: ) ! ddep accumulator\n REAL, ALLOCATABLE, SAVE :: DDEP0 ( :,:,: ) ! ddep initial before call to vdiffacmx\n REAL, ALLOCATABLE, SAVE :: TOT_BD_EMIS( :,:,: ) ! bidi emissions accumlator \n REAL, ALLOCATABLE, SAVE :: DDEPJ ( :,:,:,: ) ! ddep for mosaic\n\n REAL :: WRDD( NCOLS,NROWS ) ! ddep write buffer\n REAL :: WRDDJ( NCOLS,NROWS,Tile_Data%N_LUFRAC+1 ) ! mosaic ddep write buffer\n\n REAL, ALLOCATABLE, SAVE :: DDEP_PA ( :,:,: ) ! ddep for process analysis\n REAL, ALLOCATABLE, SAVE :: EMIS_PA( :,:,:,: ) ! emis for process analysis\n\n INTEGER, SAVE :: N_SPC_CGRID ! no. of CGRID species\n INTEGER, SAVE :: NH3_HIT\n\n REAL :: EDDYV ( NCOLS,NROWS,NLAYS ) ! from EDYINTB\n REAL :: SEDDY ( NLAYS,NCOLS,NROWS ) ! flipped EDDYV\n REAL DTSEC ! model time step in seconds\n\n REAL, ALLOCATABLE, SAVE :: VSED_AE( :,:,:,: )\n\nC Local Variables\n\n INTEGER ASTAT\n INTEGER C, R, L, S, V, I, J, OFF ! loop induction variables\n INTEGER MDATE, MTIME, MSTEP ! internal simulation date&time\n\n INTERFACE\n SUBROUTINE CONV_CGRID ( CGRID, JDATE, JTIME, CNGRD )\n REAL, POINTER :: CGRID( :,:,:,: )\n INTEGER, INTENT( IN ) :: JDATE, JTIME\n REAL, INTENT( INOUT ) :: CNGRD( :,:,:,: )\n END SUBROUTINE CONV_CGRID\n SUBROUTINE REV_CGRID ( CNGRD, JDATE, JTIME, CGRID )\n REAL, INTENT( INOUT ) :: CNGRD( :,:,:,: )\n INTEGER, INTENT( IN ) :: JDATE, JTIME\n REAL, POINTER :: CGRID( :,:,:,: )\n END SUBROUTINE REV_CGRID\n SUBROUTINE EDDYX ( EDDYV )\n REAL, INTENT( OUT ) :: EDDYV( :,:,: )\n END SUBROUTINE EDDYX\n SUBROUTINE VDIFFACMX( dtsec, seddy, ddep, TOT_BD_EMIS, ddepj, cngrd )\n REAL, INTENT( IN ) :: dtsec\n REAL, INTENT( INOUT ) :: seddy( :,:,: )\n REAL, INTENT( INOUT ) :: ddep ( :,:,: )\n REAL, INTENT( INOUT ) :: TOT_BD_EMIS ( :,:,: )\n REAL, INTENT( INOUT ), OPTIONAL :: ddepj ( :,:,:,: )\n REAL, INTENT( INOUT ) :: cngrd( :,:,:,: )\n END SUBROUTINE VDIFFACMX\n#ifdef isam\n SUBROUTINE SA_OPWDDEP ( SADEPFILE, JDATE, JTIME, TSTEP )\n IMPLICIT NONE\n CHARACTER( 16 ) SADEPFILE ! Dry or wet dep file for tags\n INTEGER JDATE ! current model date, coded YYYYDDD\n INTEGER JTIME ! current model time, coded HHMMSS\n INTEGER TSTEP ! output time step\n END SUBROUTINE SA_OPWDDEP\n#endif\n END INTERFACE\n\nC-----------------------------------------------------------------------\n\n IF ( FIRSTIME ) THEN\n\n FIRSTIME = .FALSE.\n\n CALL LOG_HEADING( LOGDEV, \"Initialize Surface Exchange Module\" )\n\n IF ( .NOT. DEPV_INIT ( JDATE, JTIME, TSTEP, CGRID ) ) THEN\n XMSG = 'Failure initializing deposition velocities module'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\nC create global maps\n IF ( .NOT. VDIFF_MAP_INIT( ) ) THEN\n XMSG = 'Failure initializing index mapping module'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\nC Initialize the met data\n CALL INIT_MET( JDATE, JTIME )\n\n IF ( HGBIDI ) THEN ! Initialize HGSIM module\n CALL INIT_HGSIM(JDATE, JTIME)\n END IF\n\nC Set output file characteristics based on COORD.EXT and open the dry dep file\n IF ( IO_PE_INCLUSIVE ) THEN\n CALL OPDDEP ( JDATE, JTIME, TSTEP( 1 ), N_SPC_DDEP )\n#ifdef isam\n CALL SA_OPWDDEP ( SA_DD_1, JDATE, JTIME,TSTEP( 1 ) )\n#endif\n IF ( ABFLUX .OR. HGBIDI ) CALL OPASX_MEDIA( JDATE, JTIME, TSTEP( 1 ) )\n END IF\n\nC Open vdiff diagnostics file (ioapi header from cgrd)\n IF ( VDIFFDIAG ) THEN\n IF ( .NOT. VDIFF_DIAG_INIT ( JDATE, JTIME, TSTEP( 1 ), GRAV_SETL ) ) THEN\n XMSG = 'Failure initializing vdiff diagnostics module'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END IF\n\nC Allocate and initialize dry deposition array\n\n ALLOCATE ( DDEP( N_SPC_DEPV,NCOLS,NROWS ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating DDEP'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n DDEP = 0.0 ! array assignment\n\n ALLOCATE ( DDEP0( N_SPC_DEPV,NCOLS,NROWS ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating DDEP0'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n DDEP0 = 0.0 ! array assignment\n \n ALLOCATE ( TOT_BD_EMIS( N_BD_EMIS,NCOLS,NROWS ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating TOT_BD_EMIS'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n TOT_BD_EMIS = 0.0 ! array assignment\n\n CALL LOG_HEADING( LOGDEV, \"Initialize Emissions Module\" )\n\n IF ( .NOT. DESID_INIT ( JDATE, JTIME, TSTEP( 1 ) ) ) THEN\n XMSG = 'Failure initializing emissions module'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\n#ifdef isam\n ALLOCATE ( SA_DDEP( NCOLS,NROWS,N_SPCTAG ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating SA_DDEP'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n SA_DDEP = 0.0\n#endif\n\nC Set up for process analysis\n CALL LOG_HEADING( LOGDEV, \"Initialize Surface Exchange for Process Analysis\" )\n\n IF ( BUDGET_DIAG .OR. LIPR ) THEN\n ALLOCATE ( EMIS_PA( NCOLS,NROWS,NLAYS,N_CGRID_SPC ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'EMIS_PA memory allocation failed'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n ALLOCATE ( DDEP_PA( NCOLS,NROWS,N_CGRID_SPC ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'DDEP_PA memory allocation failed'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END IF\n\nC Set up for grav. settling\n IF ( GRAV_SETL ) THEN\n CALL LOG_HEADING( LOGDEV, \"Set Up Gravitational Settling\" )\n\n ALLOCATE ( VSED_AE( N_AE_SPC,NLAYS,NCOLS,NROWS ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating VSED_AE'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END IF\n\n N_SPC_CGRID = SIZE ( CGRID,4 )\n\n ALLOCATE ( CNGRD( N_SPC_CGRID,NLAYS,NCOLS,NROWS ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating CNGRD'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n CNGRD = 0.0 ! array assignment\n \n!----------------------------------------------------------------------------------------\n! Move to ASX driver to get stage data set up mapping in init_stage\n!----------------------------------------------------------------------------------------\n\n IF ( MOSAIC ) THEN \n ALLOCATE ( DDEPJ( Tile_Data%N_LUFRAC,N_SPC_DEPV,NCOLS,NROWS ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating DDEPJ'\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n DDEPJ = 0.0 ! array assignment\n IF ( IO_PE_INCLUSIVE )\n & CALL OPDDEP_MOS ( JDATE, JTIME, TSTEP( 1 ), N_SPC_DDEP )\n END IF ! if Mosaic\n!--------------------------------------------------------------------------------------------------\n DO V = 1, N_SPC_DEPV\n IF ( DV2DF_SPC( V ) .EQ. 'NH3' ) THEN\n NH3_HIT = V\n END IF\n END DO\n\n END IF ! if Firstime\n\n MDATE = JDATE\n MTIME = JTIME\n MSTEP = TIME2SEC( TSTEP( 2 ) )\n DTSEC = FLOAT( MSTEP )\n CALL NEXTIME ( MDATE, MTIME, SEC2TIME( MSTEP / 2 ) )\n\nC Convert non-molar mixing ratio species and re-order CGRID\n CALL CONV_CGRID ( CGRID, MDATE, MTIME, CNGRD )\n\nC read & interpolate met data\n CALL GET_MET ( MDATE, MTIME, MSTEP )\n\nC read & interpolate deposition velocities\n CALL GET_DEPV ( MDATE, MTIME, TSTEP, CGRID ) \n\n IF ( GRAV_SETL ) THEN\nC Get gravitational settling velocity for the vsed aero species:\nC AERO_SEDV assumes that every aero species is dry deposited and is diffused (trns)\nC Calculate the changes in the layer J-,K-mode aerosol concentrations\n CALL SEDI( MDATE, MTIME, DTSEC, VSED_AE, CGRID, CNGRD )\n END IF\n\nC read & interpolate emissions data => VDEMIS_DIFF from EMIS_DEFN module\n CALL DESID_DRIVER ( MDATE, MTIME, TSTEP, CGRID )\n\n IF ( BUDGET_DIAG .OR. LIPR ) THEN\n EMIS_PA = 0.0\n DO S = 1, N_SPC_DIFF\n DO L = 1, DESID_LAYS\n EMIS_PA( :,:,L,DIFF_MAP(S) ) = VDEMIS_DIFF( S,L,:,: )\n END DO\n END DO\n CALL PA_UPDATE_EMIS ( EMIS_PA, JDATE, JTIME, TSTEP )\n END IF\n \n CALL EDDYX ( EDDYV )\n\nC EDDYV returned = Kz, where Kz is in m**2/sec\n\n DO L = 1, NLAYS\n SEDDY( L,:,: ) = EDDYV( :,:,L ) \n END DO\n\n IF ( WSTEP .EQ. 0 ) THEN\n DDEP = 0.0 ! array assignment\n TOT_BD_EMIS = 0.0 ! array assignment\n IF ( MOSAIC ) THEN\n DDEPJ = 0.0 ! array assignment\n END IF\n END IF\n\nC Store Deposition Change in Budget and Process Analysis Arrays\n IF ( BUDGET_DIAG .OR. LIPR ) DDEP0 = DDEP\n\nC Calculate the change in concentration and dry dep from vertical diffusion and vsed\nC Note: cngrd is the argument keyword (from the INTERFACE); CNGRD is the actual argument\n IF ( .NOT. MOSAIC ) THEN\n CALL VDIFFACMX( DTSEC, SEDDY, DDEP, TOT_BD_EMIS,\n & cngrd = CNGRD )\n ELSE\n CALL VDIFFACMX( DTSEC, SEDDY, DDEP, TOT_BD_EMIS,\n & ddepj = DDEPJ, cngrd = CNGRD )\n END IF \n\n IF ( VDIFFDIAG ) THEN\n NTICS = NTICS + 1\n NLPCR_SUM = NLPCR_SUM + NLPCR_MEAN ! array assignment\n DO R = 1, NROWS\n DO C = 1, NCOLS\n NLPCR_MAX( C,R ) = MAX( NLPCR_MEAN( C,R ), NLPCR_MAX( C,R ) )\n NLPCR_MIN( C,R ) = MIN( NLPCR_MEAN( C,R ), NLPCR_MIN( C,R ) )\n END DO\n END DO\n IF ( GRAV_SETL ) THEN\n DTCCR_SUM = DTCCR_SUM + DTCCR_MEAN ! array assignment\n DO R = 1, NROWS\n DO C = 1, NCOLS\n DTCCR_MAX( C,R ) = MAX( DTCCR_MEAN( C,R ), DTCCR_MAX( C,R ) )\n DTCCR_MIN( C,R ) = MIN( DTCCR_MEAN( C,R ), DTCCR_MIN( C,R ) )\n END DO\n END DO\n END IF\n END IF\n \nC Store Deposition Change in Budget and Process Analysis Arrays\n IF ( BUDGET_DIAG .OR. LIPR ) THEN\n DDEP_PA = 0.0\n DO V = 1, N_SPC_DEPV\n DO R = 1, NROWS\n DO C = 1, NCOLS\n DDEP_PA( C,R,MAP_DEPVtoCGRID(V)) = DDEP( V,C,R ) - DDEP0( V,C,R )\n END DO\n END DO\n END DO\n CALL PA_UPDATE_DDEP ( DDEP_PA, JDATE, JTIME, TSTEP )\n END IF\n \nC Revert non-molar mixing ratio species and re-order CGRID\n CALL REV_CGRID ( CNGRD, MDATE, MTIME, CGRID )\n\nC If last call this hour: write accumulated depositions:\n\n WSTEP = WSTEP + TIME2SEC( TSTEP( 2 ) )\n IF ( WSTEP .GE. TIME2SEC( TSTEP( 1 ) ) ) THEN\n MDATE = JDATE\n MTIME = JTIME\n CALL NEXTIME( MDATE, MTIME, TSTEP( 2 ) )\n WSTEP = 0\n\n#ifdef parallel_io\n IF ( WRITE_FIRSTIME ) THEN\n WRITE_FIRSTIME = .FALSE.\n\n IF ( .NOT. IO_PE_INCLUSIVE ) THEN\n IF ( .NOT. OPEN3( CTM_DRY_DEP_1, FSREAD3, PNAME ) ) THEN\n XMSG = 'Could not open ' // TRIM(CTM_DRY_DEP_1)\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n IF ( MOSAIC ) THEN\n IF ( .NOT. OPEN3( CTM_DRY_DEP_MOS, FSREAD3, PNAME ) ) THEN\n XMSG = 'Could not open ' // TRIM(CTM_DRY_DEP_MOS)\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END IF\n END IF ! .NOT. IO_PE_INCLUSIVE\n END IF\n#endif\n\n DO V = 1, N_SPC_DDEP\n S = DD2DV( V )\n DO R = 1, NROWS\n DO C = 1, NCOLS\n WRDD( C,R ) = DDEP( S,C,R )\n END DO\n END DO\n\n IF ( .NOT. WRITE3( CTM_DRY_DEP_1, DDEP_SPC( V ),\n & MDATE, MTIME, WRDD ) ) THEN\n XMSG = 'Could not write ' // CTM_DRY_DEP_1 // ' file'\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n END DO \n! STAGE Diagnostic output\n IF ( ABFLUX ) THEN\n IF ( .NOT. WRITE3( CTM_DRY_DEP_1, BD_EMIS_SPC( NH3_E ),\n & MDATE, MTIME, TOT_BD_EMIS( NH3_E,:,: ) ) ) THEN\n XMSG = 'Could not write ' // CTM_DRY_DEP_1 // ' file'\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF \n WRDD( :,: ) = DDEP(NH3_HIT,:,:) - TOT_BD_EMIS( NH3_E,:,: )\n IF ( .NOT. WRITE3( CTM_DRY_DEP_1, 'NH3_Flux',\n & MDATE, MTIME, WRDD ) ) THEN\n XMSG = 'Could not write ' // CTM_DRY_DEP_1 // ' file'\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF \n ENDIF\n IF ( HGBIDI ) THEN\n IF ( .NOT. WRITE3( CTM_DRY_DEP_1, BD_EMIS_SPC( HG_E ),\n & MDATE, MTIME, TOT_BD_EMIS( HG_E,:,: ) ) ) THEN\n XMSG = 'Could not write ' // CTM_DRY_DEP_1 // ' file'\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF \n ENDIF\n IF ( SFC_HONO ) THEN\n IF ( .NOT. WRITE3( CTM_DRY_DEP_1, BD_EMIS_SPC( HONO_E ),\n & MDATE, MTIME, TOT_BD_EMIS( HONO_E,:,: ) ) ) THEN\n XMSG = 'Could not write ' // CTM_DRY_DEP_1 // ' file'\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF \n ENDIF\n! End of STAGE Diagnostic output\n WRITE( LOGDEV, '( /5X, 3( A, :, 1X ), I8, \":\", I6.6 )' )\n & 'Timestep written to', CTM_DRY_DEP_1,\n & 'for date and time', MDATE, MTIME\n \nC Write vdiff diagnostics\n IF ( VDIFFDIAG ) THEN\n IF ( GRAV_SETL ) THEN ! Write vsed diagnostics\n\n DO V = 1, N_VSED\n S = VSED_MAP( V )\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n VSED_BUF( C,R,L,V ) = VSED_AE( S,L,C,R )\n END DO\n END DO\n END DO\n IF ( .NOT. WRITE3( CTM_VSED_DIAG, VSED_NAME( V ),\n & MDATE, MTIME, VSED_BUF( :,:,:,V ) ) ) THEN\n XMSG = 'Could not write ' // TRIM( VSED_NAME( V ) )\n & // ' to ' // CTM_VSED_DIAG\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n END DO\n\n WRITE( LOGDEV, '( /5X, 3( A, :, 1X ), I8, \":\", I6.6 )' )\n & 'Timestep written to', CTM_VSED_DIAG,\n & 'for date and time', MDATE, MTIME\n\n END IF ! GRAV_SETL\n\nC Write other diagnostics\n NLPCR_MEAN = NLPCR_SUM / FLOAT( NTICS )\n IF ( .NOT. WRITE3( CTM_VDIFF_DIAG, 'NLP_MEAN',\n & MDATE, MTIME, NLPCR_MEAN ) ) THEN\n XMSG = 'Could not write ' // 'NLP_MEAN to ' // CTM_VDIFF_DIAG\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n IF ( .NOT. WRITE3( CTM_VDIFF_DIAG, 'NLP_MAX',\n & MDATE, MTIME, NLPCR_MAX ) ) THEN\n XMSG = 'Could not write ' // 'NLP_MAX to ' // CTM_VDIFF_DIAG\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n IF ( .NOT. WRITE3( CTM_VDIFF_DIAG, 'NLP_MIN',\n & MDATE, MTIME, NLPCR_MIN ) ) THEN\n XMSG = 'Could not write ' // 'NLP_MIN to ' // CTM_VDIFF_DIAG\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n NLPCR_MAX = 0.0 ! array assignment\n NLPCR_MIN = 9.9E30 ! array assignment\n NLPCR_SUM = 0.0 ! array assignment\n\n IF ( GRAV_SETL ) THEN ! Write vsed diagnostics\n DTCCR_MEAN = DTCCR_SUM / FLOAT( NTICS )\n IF ( .NOT. WRITE3( CTM_VDIFF_DIAG, 'SEDI_DTC_MEAN',\n & MDATE, MTIME, DTCCR_MEAN ) ) THEN\n XMSG = 'Could not write ' // 'SEDI_DTC_MEAN to ' // CTM_VDIFF_DIAG\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n IF ( .NOT. WRITE3( CTM_VDIFF_DIAG, 'SEDI_DTC_MAX',\n & MDATE, MTIME, DTCCR_MAX ) ) THEN\n XMSG = 'Could not write ' // 'SEDI_DTC_MAX to ' // CTM_VDIFF_DIAG\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n IF ( .NOT. WRITE3( CTM_VDIFF_DIAG, 'SEDI_DTC_MIN',\n & MDATE, MTIME, DTCCR_MIN ) ) THEN\n XMSG = 'Could not write ' // 'SEDI_DTC_MIN to ' // CTM_VDIFF_DIAG\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n DTCCR_MAX = 0.0 ! array assignment\n DTCCR_MIN = 9.9E30 ! array assignment\n DTCCR_SUM = 0.0 ! array assignment\n END IF\n\n CNVCT = 0.0 ! array assignment\n DO R = 1, NROWS\n DO C = 1, NCOLS\n IF ( Met_Data%CONVCT( C,R ) ) CNVCT( C,R ) = 1.0\n END DO\n END DO\n IF ( .NOT. WRITE3( CTM_VDIFF_DIAG, 'CONVCT',\n & MDATE, MTIME, CNVCT ) ) THEN\n XMSG = 'Could not write ' // 'convct to ' // CTM_VDIFF_DIAG\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n\n IF ( .NOT. WRITE3( CTM_VDIFF_DIAG, 'LPBL',\n & MDATE, MTIME, REAL( Met_Data%LPBL ) ) ) THEN\n XMSG = 'Could not write ' // 'lpbl to ' // CTM_VDIFF_DIAG\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n\n WRITE( LOGDEV, '( /5X, 3( A, :, 1X ), I8, \":\", I6.6, I6 )' )\n & 'Timestep written to', CTM_VDIFF_DIAG,\n & 'for date and time (and ntics)', MDATE, MTIME, NTICS\n NTICS = 0\n\n END IF\n \n IF ( MOSAIC ) THEN\n\n DO V = 1, N_SPC_DDEP\n S = DD2DV( V )\n WRDD = 0.0 ! reuse array since it has already been written for hour\n DO R = 1, NROWS\n DO C = 1, NCOLS\n DO J = 1, Tile_Data%N_LUFRAC\n WRDD( C,R ) = WRDD( C,R ) + DDEPJ( J,S,C,R ) * Tile_Data%LUFRAC( C,R,J )\n WRDDJ( C,R,J ) = DDEPJ( J,S,C,R )\n END DO\n WRDDJ( C,R,Tile_Data%N_LUFRAC+1 ) = WRDD( C,R ) ! last array element is total across all land use categories\n END DO\n END DO\n\n IF ( .NOT. WRITE3( CTM_DRY_DEP_MOS, DDEP_SPC( V ),\n & MDATE, MTIME, WRDDJ ) ) THEN\n XMSG = 'Could not write ' // CTM_DRY_DEP_MOS // ' file'\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n\n END DO\n\n WRITE( LOGDEV, '( /5X, 3( A, :, 1X ), I8, \":\", I6.6 )' )\n & 'Timestep written to', CTM_DRY_DEP_MOS,\n & 'for date and time', MDATE, MTIME\n\n END IF ! MOSAIC\n\n IF ( ABFLUX .OR. HGBIDI ) THEN \n CALL WRASX_MEDIA( MDATE, MTIME )\n END IF \n \nC re-set dry deposition array to zero\n\n DDEP = 0.0\n TOT_BD_EMIS = 0.0\n IF ( MOSAIC ) THEN\n DDEPJ = 0.0 ! array assignment\n END IF\n\n#ifdef isam\n WRDD = 0.0\n DO ITAG = 1, N_SPCTAG\n DO R = 1, NROWS\n DO C = 1, NCOLS\n WRDD( C,R ) = SA_DDEP( C,R,ITAG )\n END DO\n END DO\n\n IF ( .NOT. WRITE3( SA_DD_1, VNAM_SPCTAG( ITAG ),\n & MDATE, MTIME, WRDD ) ) THEN\n XMSG = 'Could not write ' // SA_DD_1 // ' file'\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n END DO\n\n SA_DDEP = 0.0\n#endif\n\n END IF\n\n RETURN\n END\n" }, { "path": "DOCS/CMAQ-Bugfix-Branch.md", "content": "## CMAQ Version X+ Overview\nNew CMAQ versions are released on the 'main' branch. After a CMAQ release an additional bugfix or 'X+' branch is created. The X+ branch is a continually evolving branch and is intended for users who wish to adopt the most recent bugfixes or minor updates that improve model stability, efficiency, etc. The X+ code has not been thoroughly evaluated or characterized so users must assume the risk of any unforeseen and undocumented impacts of code changes that have been incorporated since the most recent documented public release. The thoroughly vetted version of these bugfixes and updates are then included in the next public release of CMAQ. For example, after CMAQv5.4 was released, a 5.4+ branch was added. All of the tagged updates in the 5.4+ branch were then released with CMAQv5.5. \n\nBelow is the record of tagged bugfix versions for each CMAQ release. \n\n### Record of changes to CMAQv5.5.0.3 \nTo clone code with all of the CMAQv5.5 bug fixes issue the following command from within a working directory on your server:\n```\n git clone -b CMAQv5.5.0.3_11Jul2025 https://github.com/USEPA/CMAQ.git CMAQ_REPO\n```\n\n*Note that DDM-3D is not compatible with the STAGE deposition model in CMAQv5.5.*\n\n\nNote, each tagged version of CMAQv5.5.0.3 contains all updates from previous versions.\n| Tag | PR Number | PR Name | Merge Date | Brief Description |\n| -------------- | ------------------ | ------------------------ | ---------------- | -----------------------|\n| [CMAQv5.5.0.3_11Jul2025](https://github.com/USEPA/CMAQ/releases/tag/CMAQv5.5.0.3_11Jul2025)|[#253](https://github.com/USEPA/CMAQ/pull/253)|Diagnostic NH3 emissions from Agriculture and Biogenic sources | 2025-07-11 | Adds new diagnostic emissions when using the STAGE deposition option and bidirectional NH3 exchange to support 2023 and later NEI development.|\n| |[#252](https://github.com/USEPA/CMAQ/pull/252)|enable parallel I/O for ELMO, AELMO, and lightning diagnostic files | 2025-05-28 | Bugfix to avoid a model crash when using a parallel file system. This resolves an [issue](https://forum.cmascenter.org/t/unable-to-write-to-aelmo-even-though-new-aelmo-file-successfully-created/5762/20) raised on the CMAS User Forum.|\n| |[#249](https://github.com/USEPA/CMAQ/pull/249)|Increase string size for DDM-3D control file | 2025-05-14 | Updates allows for longer strings of emissions stream names and region names for DDM-3D simulations.|\n| [CMAQv5.5.0.2_13May2025](https://github.com/USEPA/CMAQ/releases/tag/CMAQv5.5.0.2_13May2025) |[#246](https://github.com/USEPA/CMAQ/pull/246)|5.5 Tutorial Updates from CMAS | 2025-04-29 | Improvements to the WRF-CMAQ Tutorial and supporting documentation for preparing your compute environment prior to running CMAQ.|\n| |[#245](https://github.com/USEPA/CMAQ/pull/245)|Fix bugs in shp2cmaq | 2025-04-29 | Bugfix to shp2cmaq tool to avoid errors when CMAQ Emission Control reads the time information from the CMAQ-ready grid mask file.|\n| |[#242](https://github.com/USEPA/CMAQ/pull/242)|Updated Post-Processing support files and code | 2025-04-29 | Bug fixes and minor enhancements.|\n| |[#241](https://github.com/USEPA/CMAQ/pull/241)|Adds pcVOC and NOy species to ISAM species lists | 2025-04-29 | This change supports comprehensive accounting of ISAM source attribution of PM, ozone, and other pollutants.|\n| |[#240](https://github.com/USEPA/CMAQ/pull/240)|Update conversion factor for area-based denominator | 2025-04-29 | Bugfix will affect predictions for any species that includes emissions normalized to a specific area that is not in units of meters.|\n| |[#239](https://github.com/USEPA/CMAQ/pull/239)| DDM3D Correction to ebi solvers | 2025-05-13 | DDM3D sensitivity calculations were updated for all ebi solvers to resolve some instabilities.|\n| |[#238](https://github.com/USEPA/CMAQ/pull/238)|Corrections to ISAM aerosol and cloud processing | 2025-04-29 | Resolve some spurious unreasonable results reported by CMAQ-ISAM users.|\n|[CMAQv5.5.0.1_19Mar2025](https://github.com/USEPA/CMAQ/releases/tag/CMAQv5.5.0.1_19Mar2025) |[#231](https://github.com/USEPA/CMAQ/pull/231)|CRACMM2 fixes for ISAM and post processing | 2025-03-19 | Small changes in post-processed concentrations due to missing species. Resolves issue [#221](https://github.com/USEPA/CMAQ/issues/221). |\n| |[#226](https://github.com/USEPA/CMAQ/pull/226)|Fix bug preventing CMAQ from running using SAPRC mechanisms | 2024-12-06 | The fix is to specify that CLNO2 does undergo dry deposition to avoid a model crash when using any of the SAPRC07 mechanisms.|\n| |[#222](https://github.com/USEPA/CMAQ/pull/222)|Corrected NLCD to BELD3 mapping for shrub/scrub and dwarf scrub| 2024-12-06 | Corrects an error in NLCD40 land use mapping for inline windblown dust calculations. Addresses issues [#220](https://github.com/USEPA/CMAQ/issues/220).|\n\n\n\n### Record of changes to CMAQv5.4+ \nTo clone code with all of the CMAQv5.4 bug fixes issue the following command from within a working directory on your server:\n```\n git clone -b CMAQv5.4.0.5_5Sept2024 https://github.com/USEPA/CMAQ.git CMAQ_5.4.0.5\n```\n\nNote, each tagged version of CMAQv5.4+ contains all updates from previous versions.\n| Tag | PR Number | PR Name | Merge Date | Brief Description |\n| -------------- | ------------------ | ------------------------ | ---------------- | -----------------------|\n| [CMAQv5.4.0.5_5Sept2024](https://github.com/USEPA/CMAQ/releases/tag/CMAQv5.4.0.5_5Sept2024)|[#218](https://github.com/USEPA/CMAQ/pull/218)|Minor fixes to ELMO output algorithms| 2024-09-05 | This fixes several coding errors in the ELMO algorithm used to calculates post-processed variables online like total PM mass and mass of PM species in discrete size ranges. Addresses issues [#210](https://github.com/USEPA/CMAQ/issues/210) and [#212](https://github.com/USEPA/CMAQ/issues/212).|\n| [CMAQv5.4.0.4_9April2024](https://github.com/USEPA/CMAQ/releases/tag/CMAQv5.4.0.4_9April2024)|[#215](https://github.com/USEPA/CMAQ/pull/215)|fix bug in calculation of PMF_OC | 2024-04-09 | This fixes a bug in the calculation of the ELMO parameter PMF_OC, which inadvertently subtracts off non-carbonaceous mass that should instead be skipped. Addresses issue [#213](https://github.com/USEPA/CMAQ/issues/213).|\n| |[#201](https://github.com/USEPA/CMAQ/pull/201) | Update config_cmaq.csh | 2023-07-06 | _`Community Contribution`_ Fixes a typo in the config_cmaq.csh to address issue [#199](https://github.com/USEPA/CMAQ/issues/199).|\n| |[#198](https://github.com/USEPA/CMAQ/pull/198) | Fix functionality of RBSTATS when using ROS3 | 2023-07-06 | _`Community Contribution`_ This fixes a bug in CCTM/src/gas/ros3/rbdriver.F that causes the model not to compile when using the conditional rbstats option.|\n|[CMAQv5.4.0.3_9June2023](https://github.com/USEPA/CMAQ/releases/tag/CMAQv5.4.0.3_9June2023)|||||\n| |[#194](https://github.com/USEPA/CMAQ/pull/194) | DDM3D fix May2023 | 2023-06-09 | This fixes bugs impacting 2nd order DDM sensitivities and dry deposition sensitivity output.|\n|[CMAQv5.4.0.2_4May2023](https://github.com/USEPA/CMAQ/releases/tag/CMAQv5.4.0.2_4May2023)|||||\n| |[#189](https://github.com/USEPA/CMAQ/pull/189) | WRF-CMAQ Bugfix for UWIND and VWIND at Grid Cell Centers (mass points) | 2023-05-04 | This fixes a bug that impacts all processes that use the u and v wind components at mass points in the WRF-CMAQ coupled model.|\n| |[#186](https://github.com/USEPA/CMAQ/pull/186) | Isam update 21april2023 | 2023-04-28 | This fixes several issues with CMAQ-ISAM as described in the PR documentation.|\n|[CMAQv5.4.0.1_7Dec2022](https://github.com/USEPA/CMAQ/releases/tag/CMAQv5.4.0.1_7Dec2022)|||||\n| |[#183](https://github.com/USEPA/CMAQ/pull/183) | Enable DDM-3D and ISAM calculations and output for Potential Vorticity option| 2022-12-07 | Inadvertently, DDM-3D and ISAM code were not functioning with the CMAQ 5.4 release when the potential vorticity option was enabled during compilation. This pull request corrects both models.|\n| |[#182](https://github.com/USEPA/CMAQ/pull/182) | Add precision to logfile process timing| 2022-12-02 | At high computational efficiency, the default precision provided for the timing metrics in the logfile was yielding 0.0. This PR adds 3 decimal places of precision to the timing output.|\n| | [#181](https://github.com/USEPA/CMAQ/pull/181)|Resolve time-stepping issue in ELMO when used within WRF-CMAQ and MPAS-CMAQ | 2022-12-02 | ELMO gives erroneous results in WRF-CMAQ and when using met inputs not aligned with hour time steps. This PR resolves the problem by adjusting the algorithm for identifying when the initial time step is hit for the simulation and synchronization cycles.|\n| | [#180](https://github.com/USEPA/CMAQ/pull/180) | BDSNP fix | 2022-12-02 | Online nitrogen deposition (NDEP) is erroneously enabled when using BDSNP in the released version of CMAQ 5.4. This PR corrects an IF statement that was meant to disable online nitrogen deposition. |\n\n\n### Record of changes to CMAQv5.3.3+\nTo clone code with all of the CMAQv5.3.3 bug fixes issue the following command from within a working directory on your server:\n```\n git clone -b CMAQv5.3.3.3_10May2022 https://github.com/USEPA/CMAQ.git CMAQv5.3.3.3_10May2022\n```\n\nNote, each tagged version of CMAQv5.3.3+ contains all updates from previous versions.\n\n| Tag | PR Number | PR Name | Merge Date | Brief Description |\n| -------------- | ------------------ | ------------------------ | ---------------- | -----------------------|\n| [CMAQv5.3.3.3_10May2022](https://github.com/USEPA/CMAQ/releases/tag/CMAQv5.3.3.3_10May2022) |[#168](https://github.com/USEPA/CMAQ/pull/168) | WRF-CMAQv533+| 2022-05-10 | Script and documentation update to ensure streamlined building of the WRF-CMAQ model intended for users who would like to run CMAQv5.3.3+ with WRFv4.4+.|\n| [CMAQv5.3.3.2_7May2022](https://github.com/USEPA/CMAQ/releases/tag/CMAQv5.3.3.2_7May2022) | [#171](https://github.com/USEPA/CMAQ/pull/171)|Remove files from chemistry utilities causing problems on MAC and WINDOWS systems | 2022-05-07 | Both the create_ebi and inline_phot_prerproc utilities have files in their source code directories that only differ in letter case in filenames. The property does not cause problems on Linux systems but can cause problems on Window and Macintosh systems. The pull request removes the unneeded files causing the problems.|\n|[CMAQv5.3.3.1_11Feb2022](https://github.com/USEPA/CMAQ/releases/tag/CMAQv5.3.3.1_11Feb2022) | | | | |\n| | [#163](https://github.com/USEPA/CMAQ/pull/163) | Resolve Bug for reading Emission Stream Families | 2022-02-09 | Bug fix to avoid errors when processing matches for emission stream families related to capitalization. |\n| | [#164](https://github.com/USEPA/CMAQ/pull/164) | Resolve bug in Low-NOx formation of SOA | 2022-02-09| A typo in the SOA_DEFN data table resulted in high NOx reactions contributing to low-NOx species, which are quite low in volatility. This bug fix has a considerable impact on SOA if using AE6. No impact for AE7. |\n| | [#165](https://github.com/USEPA/CMAQ/pull/165) | Bugfix Speed up emissions processing in PTMET subroutine | 2022-02-09 | The PTMET subroutine is streamlined so that it is not run for every point source and every stream every time each stream is called. This update drastically reduces runtimes in areas where there happen to be lots of point sources on a particular processor. No impact on results. |\n\n\n\n\n\n\n\n\n\n\n" }, { "path": "DOCS/CMAQ_Data.md", "content": "# CMAQ Data\n* [Test Case Data](#test_case_data)\n* [Input and Output Files](#cmaq_inputs_outputs)\n* [EQUATES Data](#equates_data)\n* [Measurement-Model \"Fused\" CMAQ Outputs](#cmaq_fused)\n\n\n## Test Case Data\nBenchmark/tutorial data for the CMAQv5.5 release are available from the CMAS Data Warehouse. The input and output files are stored on Amazon Web Services (AWS) Open Data Registry. CMAQv5.5 benchmark input is the same as CMAQv5.4, provding a July 1-2, 2018 case over the Northeast US. CMAQv5.5 comes with new output data for running several different model configurations (links below). Tutorials are provided for using the benchmark data to test running of the base CMAQ model with either the CB6r5 or CRACMMv2 mechanisms, WRF-CMAQ, CMAQ-ISAM, and CMAQ-DDM. The input datasets include a grid mask file for the United States (GRIDMASK_STATES_12SE1.nc). The grid mask file is used for running the ISAM test case, or to test out regional emissions scaling with [DESID](DOCS/Users_Guide/Tutorials/CMAQ_UG_tutorial_emissions.md). The input datasets also include an ocean file with variables needed to use the cb6r5_ae7 and cb6r5m_ae7 mechanisms. See the [Ocean File tutorial](DOCS/Users_Guide/Tutorials/CMAQ_UG_tutorial_oceanfile.md) for more information on changes to the required ocean file input beginning in v5.4. \n\nIn addition, a full set of inputs for 2018 are provided for the 12US1 domain (299 column x 459 row x 35 layer, 12-km horizontal grid spacing) on AWS, including emissions compatible with both the CB6r5 and CRACMMv1.0 chemical mechanisms. Note that the 12US1 inputs are netCDF-4/HDF5 compressed files to substantially reduce file sizes. Through testing at the EPA, we’ve noticed that certain domains encounter model crashes from reading in large amounts of compressed netCDF data. A work around for those cases is uncompressing the data manually via [nccopy 1](https://www.unidata.ucar.edu/software/netcdf/workshops/2011/utilities/Nccopy.html) or [m3cple](https://www.cmascenter.org/ioapi/documentation/all_versions/html/M3CPLE.html) (compiled with HDF5) before running the CMAQ simulation.\n\n|**CMAQ Version**|**Data Type (Size)**|**Domain**|**Simulation Dates**|**Data Access**|**Link**|**Tutorial**| \n|:----:|:----:|:--------------:|:----:|:--------:|:----:|:----:|\n|MPAS-CMAQ| Input (215 GB) | Global (uniform 120) | Jan 1, 2017|[Metadata, DOI, and links to data on AWS](https://doi.org/10.15139/S3/PAHQFO)
| [AWS Link](https://mpas-cmaq.s3.amazonaws.com/index.html) |[Tutorial](https://github.com/USEPA/CMAQ/blob/MPAS_CMAQ/DOCS/Users_Guide/PDF/MPAS_CMAQ_guide.pdf)|\n|v5.4 CB6r5 | Input (6.1 TB) | 12US1 | Jan 1 - Dec 31, 2018 | [Metadata, DOI, and links to data on AWS](https://doi.org/10.15139/S3/LDTWKH)
| [AWS Link](https://cmas-cmaq-modeling-platform-2018.s3.amazonaws.com/index.html) ||\n|v5.4 CB6r5 | Input (10.3 GB)| Northeast US| July 1 - 2, 2018| [Metadata, DOI, and download instructions ](https://doi.org/10.15139/S3/BWMI8X)
| [Google Drive Link](https://drive.google.com/drive/folders/1AFUB-4kzIXXoZr4hOHNBqRvy9JQ9_MDp)
[AWS Link](https://cmaq-release-benchmark-data-for-easy-download.s3.amazonaws.com/v5_4/CMAQv5.4_2018_12NE3_Benchmark_2Day_Input.tar.gz)||\n|v5.5 CRACMM2| Input (6 GB) | 12NE3 | July 1 - 2, 2018 | [Metadata, DOI, and links to data on AWS]( https://doi.org/10.15139/S3/X5SZM2)
| [AWS Link](https://cmaq-release-benchmark-data-for-easy-download.s3.amazonaws.com/v5_5/CMAQv5.5_2018_12NE3_Benchmark_cracmm2_stage_2Day_Input.tar.gz) ||\n|v5.5 CRACMM2| Output (19 GB) | 12NE3 | July 1 - 2, 2018 | [Metadata, DOI, and links to data on AWS]( https://doi.org/10.15139/S3/X5SZM2)
| [AWS Link](https://cmaq-release-benchmark-data-for-easy-download.s3.amazonaws.com/v5_5/output_CCTM_v55_gcc_Bench_2018_12NE3_cracmm2_stage.tar.gz)|[Tutorial](DOCS/Users_Guide/Tutorials/CMAQ_UG_tutorial_benchmark_cracmm2_stage.md)|\n|v5.5 CB6r5 M3Dry | Output (15 GB) | 12NE3 | July 1 - 2, 2018 | [Metadata, DOI, and links to data on AWS](https://doi.org/10.15139/S3/X5SZM2)
| [AWS Download Link](https://cmaq-release-benchmark-data-for-easy-download.s3.amazonaws.com/v5_5/output_CCTM_v55_gcc_Bench_2018_12NE3_cb6r5_ae7_aq_m3dry.tar.gz) |[Tutorial](DOCS/Users_Guide/Tutorials/CMAQ_UG_tutorial_benchmark.md)|\n|v5.5 CB6r5 STAGE | Output (16 GB) | 12NE3 | July 1 - 2, 2018 | [Metadata, DOI, and links to data on AWS](https://doi.org/10.15139/S3/X5SZM2)
| [AWS Download Link](https://cmaq-release-benchmark-data-for-easy-download.s3.amazonaws.com/v5_5/output_CCTM_v55_gcc_Bench_2018_12NE3_cb6r5_ae7_aq_stage.tar.gz) |[Modify the M3DRY Tutorial](DOCS/Users_Guide/Tutorials/CMAQ_UG_tutorial_benchmark.md)|\n|v5.5-ISAM CB6r5 M3Dry | Output (52 GB) | 12NE3 | July 1 - 2, 2018 | [Metadata, DOI, and links to data on AWS](https://doi.org/10.15139/S3/X5SZM2)
| [AWS Download Link](https://cmaq-release-benchmark-data-for-easy-download.s3.amazonaws.com/v5_5/output_CCTM_v55_ISAM_gcc_Bench_2018_12NE3_cb6r5_ae7_aq_m3dry.tar.gz) |[Tutorial](DOCS/Users_Guide/Tutorials/CMAQ_UG_tutorial_ISAM.md)|\n|v5.5-DDM3D CB6r5 M3Dry | Output (16 GB) | 12NE3 | July 1 - 2, 2018 | [Metadata, DOI, and links to data on AWS](https://doi.org/10.15139/S3/X5SZM2)
| [AWS Download Link](https://cmaq-release-benchmark-data-for-easy-download.s3.amazonaws.com/v5_5/output_CCTM_v55_DDM3D_gcc_Bench_2018_12NE3_cb6r5_ae7_aq_m3dry.tar.gz) |[Tutorial](DOCS/Users_Guide/Tutorials/CMAQ_UG_tutorial_DDM3D.md)|\n|v5.5 CRACMM2 | Input | 12US1 | Dec 2017- Dec 2018| [Metadata, DOI, and links to data on AWS]( https://doi.org/10.15139/S3/X5SZM2)
| [AWS Link to Scripts](https://cmas-cmaq-modeling-platform-2018.s3.amazonaws.com/index.html#2018_12US1/CMAQ_v55_cracmm2_scripts/)|\n|v5.5 CRACMM2 | Output ( 1.9 TB) | 12US1 | Dec. 22, 2017 - Jan 2 2018 | [Metadata, DOI, and links to data on AWS]( https://doi.org/10.15139/S3/X5SZM2)
| [AWS Link to Output](https://cmas-cmaq-modeling-platform-2018.s3.amazonaws.com/index.html#2018_12US1/output/output_CCTM_v55_intel_STAGE_EM_2018_12US1_two_week_16x8/)|\n\n\n## CMAQ Input and Output Data\nThe CMAS Center Data Warehouse cataloges publicly-available CMAQ-ready input files for a range of years and domains\n* [Catalogue of available meteorology, emissions and air quality model input and output](https://dataverse.unc.edu/dataverse/cmascenter)\n* [CMAS Data Warehouse on Google Drive](https://drive.google.com/drive/folders/1-UHPzfNS46fw1fjx0rOqzbC24s4-qoKr)\n* [CMAS Registry of Open Data on AWS](https://registry.opendata.aws/cmas-data-warehouse/)\n\n\n## EQUATES Data\nMeteorology, emissions, and CMAQ air pollutant and deposition estimates from the [EPA's Air Quality Time Series (EQUATES) Project](https://www.epa.gov/cmaq/equates) are available for 2002-2019\n * [EQUATES Metadata and DOI](https://doi.org/10.15139/S3/F2KJSK)\n * [EQUATES Data Use Policy](https://drive.google.com/file/d/1F1Ed9MMQQ6fuiiXxlGEbYHXdhvjP-Xkx/view?usp=sharing)\n * [EQUATES Data Dictionary](https://drive.google.com/file/d/1TVTsrH94zDyOyMJEHNEi9_obwG2ZcPaa/view?usp=sharing)\n\n\n## Measurement-Model \"Fused\" CMAQ Outputs\nCMAQ output is often combined, or \"fused\", with observed air quality measurements to remove any consistent model biases prior to using the model predictions for a particular application. \n* [\"Fused\" CMAQ Ozone, PM2.5, and deposition](https://www.epa.gov/cmaq/data-download-step-2#model_obs_fused_CMAQ_outputs)\n" }, { "path": "DOCS/Community_Support.md", "content": "# Community Support\n\n [![](./Release_Notes/images/CMAQ_Forum.png)](https://forum.cmascenter.org/)\n\nTechnical support for CMAQ, including questions about model inputs, downloading, compiling, and running the model, \nand pre- and post-processing utilities, should be directed to the [CMAS Center User Forum](https://forum.cmascenter.org/). \n\nYou can search the forum for past questions and answers on the topic of your interest. To post a new question or respond to an existing post, sign up for the forum by clicking on the \"Sign Up\" button in the top right corner of the website. \n\n\n> [**Pleae read and follow these steps prior to submitting new questions to the User Forum.**](https://forum.cmascenter.org/t/please-read-before-posting/1321) \n\n\nVisit the CMAQ website to learn about the many individuals and organizations that use and contribute to the CMAQ system: [https://www.epa.gov/cmaq/cmaq-community](https://www.epa.gov/cmaq/cmaq-community)\n" }, { "path": "DOCS/Developers_Guide/CMAQ_Dev_Guide.md", "content": "**Developers' Guide for the Community Multiscale Air Quality (CMAQ) Modeling System**\r\n=\r\n**Consistent with CMAQ model version 5.3 (2019 Release)**\r\n\r\nPrepared in cooperation with the: \r\n    ***Community Modeling and Analysis System*** \r\n    Institute for the Environment \r\n    University of North Carolina at Chapel Hill \r\n    Chapel Hill, NC \r\n\r\n## Disclaimer\r\nThe information in this Developer Guide has been funded wholly or in part by the United States Environmental Protection Agency. The draft version of this document has not been subjected to the Agency's peer and administrative review, nor has it been approved for publication as an EPA document. The draft document is currently being edited and reviewed by the Community Modeling and Analysis System Center. Mention of trade names or commercial products does not constitute endorsement or recommendation for use.\r\n\r\n# Motivation\r\nThe evolution and robustness of CMAQ depends on contributions from the vibrant CMAS community. The development team at EPA is excited to work with potential contributors and integrate community submissions into the CMAQ code base. In order to facilitate this process, we describe in this document our development process and how external developers may submit new code features. \r\nThe information contained here should be read prior to starting a project within the CMAQ framework. Instructions are tailored for external developers but can also be used by developers in the CMAS-Center or within EPA. \r\n\r\n# Summary of Developer Workflow\r\nThe public CMAQ release repository is located on GitHub (). Users should refer to this repository for bug fixes, issues, documentation and major releases for CMAQ. Users can use the watch and star buttons on the public CMAQ release repository page to be notified of updates and changes. Developers interested in submitting code changes should read this Developer Guide and then contact the EPA CMAQ development team as soon as possible to discuss their motivation and plans for submitting a code change (CMAQ_Team@epa.gov). \r\n\r\nIn order to facilitate incorporation of a contribution, developers should follow the instructions on code requirements and repository layout as described in the [code management instructions](Code_Management.md). Documentation of the assumptions and results of the new code is a very important part of a meaningful code submission. If the submission involves a detailed new feature, developers are encouraged to publish the use of their feature in a peer-reviewed journal before submission. \r\n\r\nTo begin, the developer should fork the public CMAQ release repository within GitHub. This will create a copy of the public CMAQ release repository under your name (https://github.com/{user_name}/CMAQ). Developers should use standard git commands to clone the appropriate version branch (5.3, 5.2.1, 5.2, ..) from your forked repository to your local machine and then to create a new feature or bug fix branch. Developers will add, commit and push changes to their new feature or bug fix branch on their forked repository, not to the public release version of the repository. \r\n\r\nOnce a feature or bug fix branch meets requirements for code consistency, benchmark testing, model output evaluation, and documentation including release notes, the developer may submit a pull request from their local feature or bug fix branch of their fork of the CMAQ repository on Github to the CMAQ public repository. This process is described in the Nuts and Bolts section below, and in the following [tutorial](https://www.digitalocean.com/community/tutorials/how-to-create-a-pull-request-on-github), which also provides instructions on how to keep a fork up to date with changes on the public release repository. \r\n\r\nContributions will undergo a thorough code review within EPA before being incorporated in the next model release. Depending on the size, scope, and importance of the contribution, the CMAQ development team may or may not agree to support the update through future releases. Decisions regarding ongoing support will be made on a case-by-case basis with input from the developer who submits the contribution. \r\nThe following sections outline the CMAQ code development and review process in greater detail.\r\n\r\n\r\n# Development Life-cycle\r\n\r\n## Public Release Versions\r\n\r\nCMAQ uses a number versioning system for each release version branch, with major and minor increments. For example, in the case of hypothetical version 14.0 the first number (major version) and second number (minor version) refer to a stable release version. The minor version (second number) of CMAQ increments when one or many new science developments have been adopted. \r\nAlthough these changes may significantly affect model results, the model will still be generally compatible with inputs developed for versions of the same major number. The major version (first number) of CMAQ increments when significant development changes to the code base have been adopted such that backward compatibility or comparability is no longer expected. Modifications to the publically released version without increment are prohibited in order to ensure consistency among published literature referring to a particular model version. \r\nIn between published releases the development team may publish solutions to model bugs and issues in the public repository under the folder [DOCS/Known_Issues](https://github.com/lizadams/CMAQ/tree/main/DOCS/Known_Issues). The README located in this folder describes existing known issues, their scope and impact, and how they may be solved.\r\n\r\n## Development Versions\r\n\r\nPrior to the public release of each major CMAQ version, the unofficial source code is released to the public as a development version that is not intended for regulatory or research application use. The purpose of releasing the development version to the public is to give community members:\r\n\r\n- a reasonable amount of time to complete any pending feature submissions they would like to submit for the stable release.\r\n- a role in helping to test, troubleshoot, and debug the unofficial code before the stable release.\r\n- an opportunity to comment on the code improvements made in the new version.\r\n- the ability to take advantage of improvements for preliminary studies of their own interest.\r\n- a reasonable amount of time to ensure the new version is compatible with any features the member may have submitted in the past.\r\n\r\nThe unofficial (or ***beta***) version of the code will first be vetted internally and then released generally 6 months in advance of the corresponding stable CMAQ release; this period is known as the *beta-phase*. At this time, EPA will announce the deadline for community contributions. This deadline will be chosen in order to balance both the time needed by developers to submit their contributions and the time needed by EPA to incorporate submissions before public release. Version numbering for the beta series will append the letter 'b' and an incrementing number to the expected version number of the stable release. The number of beta versions is variable among releases. For example, before the hypothetical release of CMAQv14.3 the following series of version numbers could be expected: \r\n\r\n\tv14.3.b0 (First tested internal EPA version) \r\n\tv14.3.b1 (Release to public after minor changes) \r\n\tv14.3.b2 (....incremental testing, ....) \r\n\tv14.3.b3 (....bug squashing, and ...) \r\n\tv14.3.b4 (....documentation updates...) \r\n\tv14.3 (Stable Public Release) \r\n\r\nAs stated previously, the “Known Issues” section of the documentation will be continually updated as problems are identified in the released code-base. These updates will not be implemented in the default model code and so the version numbering will in general, not increment between public releases. The instrumented versions of the code (e.g. DDM, ISAM, STM, etc) should be released with the stable version.\r\n\r\n\r\n# Making Contributions\r\n## Get in touch\r\nCommunity members with an idea for a code contribution are encouraged to contact the EPA development team well before the *beta-phase* in order to plan appropriately for the testing and inclusion of the contribution. The EPA team may be interested in knowing information including but not limited to the following:\r\n\r\n- What science module or bug do you intend to address? What work do you intend to contribute to CMAQ?\r\n- Are you comfortable with the development strategy including code consistency, benchmarking, configuration testing, compiler testing, model output validation, documentation and merging?\r\n- Are you able to provide ongoing support and technical guidance for your proposed contribution?\r\n \r\n## Nuts and Bolts\r\n\r\nAs described above, the CMAQ development process follows a \"Forking Workflow.\" Atlassian has provided a helpful [explanation](https://www.atlassian.com/git/tutorials/comparing-workflows#forking-workflow). Developers should follow the guidance at [GitHub Help](https://help.github.com/) and [Atlassian](https://www.atlassian.com/git/tutorials/what-is-version-control) in order to: \r\n\r\n- fork the CMAQ repo: https://help.github.com/articles/fork-a-repo/#platform-linux \r\n- clone their newly-created fork: https://help.github.com/articles/cloning-a-repository/#platform-linux \r\n- create a feature branch: https://www.atlassian.com/git/tutorials/using-branches \r\n- add and commit changes to the new feature branch: https://www.atlassian.com/git/tutorials/saving-changes \r\n- push the feature branch to the forked repo: https://help.github.com/articles/pushing-to-a-remote/ \r\n- submit a pull request to the public CMAQ repo: https://help.github.com/articles/creating-a-pull-request-from-a-fork/ \r\n\r\nDevelopers should run and test their contribution before submitting the pull request so that the results of the test can be included in the documentation of the pull request.\r\n\r\n## Code Review\r\nCMAQ Developers at EPA will review all code submissions in order to ensure code stability and consistency, and prevent degradation of model performance. After review, the EPA team will either accept the submission, recommend specific improvements to the submission, or in some cases reject the submission. To avoid outright rejection, we urge developers to contact the EPA team early in the development process and maintain contact throughout to help ensure the submission is compatible with the CMAQ code base and is a robust addition. \r\n\r\n### Code Consistency\r\nPlease refer to the [code management instructions](Code_Management.md). \r\nExamples of small, but important guidelines include:\r\n\r\n- Eliminate global memory references (across modules). In other words, no common blocks across modules, no hidden data paths, and no \"back doors.\"\r\n- All subroutines should be named in a manner which prevents namespace conflicts.\r\n- In general, variable names should be self-descriptive (e.g. NCELLS rather than N).\r\n- Use the Fortran declaration IMPLICIT NONE to maintain some control on typographic errors and undefined variables. The use of IMPLICIT NONE forces the developer to declare all internal variables. This is standard in Fortran 90.\r\n- In general, it is expected that MKS units are used for input and output variables, as these units have been standardized throughout the CMAQ system. If you use alternative units, please document this exhaustively.\r\n\r\n### Benchmark Testing\r\nDataset: The U.S. EPA Southeast US 12km domain July 1-14, 2016 testing dataset is provided with the CMAQv5.3 Release. This dataset is distributed for benchmarking and testing the model installation. It is available from CMAS; please go to https://www.epa.gov/cmaq/cmaq-inputs-and-test-case-data for instructions on how to download the test dataset.\r\n\r\nBefore making code changes, developers should test multiple compilers (if they have access to them; see the following section on **Compiler Tests**), multiple processor configurations, and single processor configuration runs for a single simulation day to verify their results match the previous stable release, and/or that their results are computationally and physically reasonable. After implementing their code changes, developers should repeat these tests and share the results as part of the pull request documentation.\r\n\r\n#### Compiler Tests \r\nCompiler tests use the default benchmark configuration with different compilers and MPI configurations. It is important for the user community that CMAQ always compile with Intel Fortran, Gnu Fortran and Portland Group Fortran compilers. If a developer has access to more than one compiler, it is critical that they test all of them. Some errors will cause different behaviors depending on the choice of compiler and may not be detectable with all of the compilers. See appendix 1 for an example of a Compiler Test. \r\n\r\n#### Model Performance Tests\r\nConfiguration tests use one compiler to test the impact of a model change on results. See appendix 2 for an example of important information to collect when testing science options. The developer should consider submitting similar information with their pull request.\r\n\r\nSeveral tools exist to document the effects of compiler choice and code change on model results. Examples include:\r\n**m3diff -** Quantify min, max, mean differences between two different model runs\r\n**VERDI -** Create absolute difference plots for multiple variables, timesteps, layers (see spatial differences) \r\nIn addition, we recommend utilizing **1:1 Scatter Plots** to demonstrate the differences between two model runs in a concise layout. \r\n\r\n### Documentation Requirements\r\nDocumentation is of course an integral part of the integration of any contribution into the CMAQ code base. The following documentation products are helpful for expediting the review and integration process:\r\n- A Release Note written by the developer which describes the motivation, algorithm and impacts of the contribution is required to ensure proper documentation of CMAQ. \r\n- If the contribution is a new feature, developers are encouraged to publish its use in a peer-reviewed journal before submitting it to the CMAQ Public Repository. \r\n\r\n*CMAQ Documentation Resources:* \r\nDocumentation for CMAQv5.3 is available at https://github.com/USEPA/CMAQ/tree/main/DOCS. Materials include:\r\n- User Guide which describes code structure and regular operation of the model.\r\n- Release Notes describing code improvements relevant for this model release. \r\n- Tutorials that give specific instructions for common tasks like running CMAQ or adding chemical tracers.\r\n\r\n## Ongoing Support\r\nDepending on the size, scope, and importance of the contribution, the CMAQ development team may or may not have the resources to support it through future releases. For example, bug fixes and minor, but helpful, changes to the existing code will likely be incorporated into the general code base and supported. Large code additions, like a new process module or an instrumented version of CMAQ may require more effort to support than can be provided by resources of the EPA Office of Research and Development. However, if the feature is particularly of interest for the CMAQ user community, it may be supported. Decisions regarding ongoing support will be made on a case-by-case basis.\r\n\r\n# Copyright Information\r\nContact EPA (CMAQ_Team@epa.gov) with questions and concerns.\r\n\r\nCMAQ Developer Guide (c) 2019\r\n\r\n# Appendix\r\n## Appendix 1: Compiler Tests\r\nCompiler flags:\r\n\r\n- PGI: -Mfixed -O3 -Mextend\r\n- GCC: -ffixed-form -ffixed-line-length-132 -O3 -funroll-loops -finit-character=32\r\n- Intel: -fixed -132 -O3 -override-limits -fno-alias -mp1 -fp-model precise -fp-model source -shared-intel -openmp\r\n\r\n\r\n### Compilation Testing Manifest Table (Example)\r\n|**Scenario**|**Compiler**|**netCDF**|**I/O API**|**MPI YN (#P)**|**MPI**|**CMAQv5.1 Timing (hh:mm:ss)**|**CMAQv5.2 Timing (hh:mm:ss)**| Notes|\r\n|--------------------|--------------------|----------------|----------------|---------|--------------------|---------------------------|------------------------------------|-------------------|\r\n|Gfortran Serial|Gfort version 4.8.1| 4.3.3|3.1|N|N/A|8:19:51|7:35:30|UNC module gcc/4.8.1|\r\n|Gfortran mvapich|Gfort version 4.8.1|4.3.2|3.1 |Y (16)|mvapich2 1.7|0:45:55|0:42:40| |\r\n|Intel Serial|Intel Fortran version 16.2.0 |4.3.2|3.1|N |N/A |6:01:42|5:10:16|UNC module intel/16.2|\r\n|Intel OpenMPI (EPA Config)|Intel Fortran v15.0.0|4.3.2|3.1|Y (16)|openMPI 1.42|0:34:27| |UNC module openmpi_intel/15.0|\r\n|Intel OpenMPI|Intel Fortran v16.2.0|4.3.2|3.1|Y (16)|openMPI 1.4.2|0:35:29| |UNC module openmpi_intel/16.2| \r\n|Intel mvapich2|Intel Fortran v16.2.0|4.3.2|3.1|Y (16)|mvapich2 1.7|0:36:34| |UNC module mvapich2_intel/16.2| \r\n|Portland Serial|PGI Fortran v16.1|4.3.2|3.1|N|N/A|7:33:36|6:26:31|UNC module pgi/16.1|\r\n|Portland OpenMPI|PGI Fortran v15.7|4.3.2|3.1|Y (16)|openMPI 1.4.2|0:40:20|0:36:16|UNC module openmpi_pgi/15.7|\r\n\r\n\r\n## Appendix 2: Model Performance Test Metadata \r\n|**Scenario**|**Description**|**Mechanism**|**Notes**|**Timing (16PE) hh:mm:ss**|\r\n|----------------|-------------------|---------------------------|--------------------|---------------------|\r\n|Benchmark Case|Online emissions processing, inline photolysis, inline lightning from MCIP RC, no windblown dust, surface HONO, bidirectional NH3 and Hg, no potential vorticity scaling|cb05e51_ae6_aq |Done; LTNGNO InLine, LTNGPARM = N, LOG_START = 2.0|0:40:20|\r\n|MOSAIC|Benchmark case with MOSAIC and additional stomatal flux files activated|cb05e51_ae6_aq |Done. set CTM_MOSAIC = Y; set CTM_FST = Y|0:44:02 |\r\n|Dust|Benchmark case with dust, including new MODIS FP input|cb05e51_ae6_aq|Done. setenv CTM_WB_DUST Y; setenv CTM_ERODE_AGLAND Y; setenv CTM_WBDUST_BELD BELD3 |0:38:28|\r\n|Hourly NLDN|Benchmark with lightning NOx calculated using hourly bNLDN strikes |cb05e51_ae6_aq |Done; LTNGNO InLine, LTNGPARM = Y, USE_NLDN Y|0:40:18 |\r\n|POA Sensitivity|Benchmark with new POA mechanism |cb05e51_ae6nvPOA_aq|Done|0:34:42 |\r\n \r\n" }, { "path": "DOCS/Developers_Guide/Code_Management.md", "content": "# Code Management and Development #\n\nAs a public domain model, CMAQ is the product of contributions from many developers, whose numbers are only expected to increase with the number of users worldwide. Some degree of standardization is necessary for management and archiving of these development versions, as well as to compile and execute the code once it is ready for use, and to submit it to the CMAS Center for archiving and benchmark testing. This chapter provides guidance on source code manage­ment, coding guidelines for new code development, the compilation of new source code using the build scripts, and guidelines for writing shell scripts usable by CMAQ. Much of this informa­tion is derived from Chapter 18 (Young, 1999) in Byun and Ching (1999), with updates where appropriate, particularly for new versions of the model code and for the Fortran 90 standard. The chapter also includes the procedure that is in place for distributing code versions other than the operational CMAQ that are submitted to the development code archives.\n\n## Source Code Management\n\n### The need for a configuration-management tool\n\nFaced with a large and growing community that uses and develops a wide variety of programs, modules, and codes, it is imperative to systematically manage the cross-community access to this software. Typically, successful management of software involves the following:\n\n- A repository – a place where all of the public code resides.\n- The concept of archived code – codes that have been deposited into the repository in such a manner that anyone can extract the exact code at a later time. This involves some kind of transformation program to maintain master copies of the codes with embedded change tables.\n- The concept of revision control – archiving codes results in modifying the tags or unique revision identifiers in the change tables in the master copies in order to recover the exact code at a later date.\n- The concept of released code – codes that have reached some state of maturity and have been designated with some kind of “released” status. They can be used with reasonable expectation of reliability. The paradigm used employs the following scenario:\n 1. A user modifies or develops code. The code may be one subroutine or many, possibly constituting whole science modules. The code may originate from “scratch,” or be extracted from the repository and modified.\n 2. After testing or reaching a point of being satisfied with his/her results, he/she decides to save it in the repository so that others can have access to it.\n 3. Some archived codes may still be in an experimental, or development, state, while others may be reasonably stable and more completely tested. The latter may be designated as “released.” There is no enforceable means to control access based on an experimental or released state. The community will have, and should have, access indiscriminately, well aware that using development-state code is risky.\n 4. As the user continues to work with the codes, he/she may make enhancements or discover and fix errors. The upgrades are then installed in the repository, which automatically assigns unique revision identifiers.\n 5. The repository is located where it is conveniently accessible to all users, and is maintained by an administrator who sets and enforces general access rules.\n\n### Choice of a configuration-management tool\n\nPrior to CMAQ version 5.0.2, CMAQ developers used [CVS](https://en.wikipedia.org/wiki/Concurrent_Versions_System) for versioning, and distributed tarballs included CVS artifacts (e.g., files with names ending with ',v'). Starting with version 5.0.2, CMAQ developers switched to [git](https://en.wikipedia.org/wiki/Git_%28software%29).\n\n### git Explained\n\ngit is a version control system that supports distributed workflows. Every Git directory is a full repository with complete history and version tracking. \n\n- It works on virtually all UNIX and Linux platforms and on many PCs.\n- It is publicly available and free and is distributed under the terms of the GNU General Public License.\n- If you would like to contribute changes to the EPA CMAQ repository, use the following steps\n 1. Create a github account https://github.com/\n 2. Go to the EPA github site and Fork your own copy of the EPA CMAQ to your github account\n 3. create a directory called CMAQv5.3 on the machine where you would like to obtain a copy of the code\n 4. `git clone -b main https://github.com//CMAQ.git CMAQ_REPO` - Get a clone or copy of the main branch of the CMAQ repository from your github site.\n 5. This will place a copy of the files from the main branch into the CMAQv5.3/CMAQ_REPO directory\n 6. `cd CMAQv5.3/CMAQ_REPO` go into the CMAQv5.3/CMAQ_REPO directory\n 7. `git status` To confirm the status of the files in the repository and the branch that is currently checked out\n 8. `git checkout -b 5.3_update` To copy the 5.3 branch into a new branch called 5.3_update\n 9. To edit the config_cmaq.csh file take the following steps:
\n`vi config_cmaq.csh` - or use the Atom, TextWrangler or other Editor\n 10. To see what changes you made use the following command\n`git diff config_cmaq.csh`\n 11. To stage the change use the following command.\n`git add config_cmaq.csh`\n 12. To commit changes to the local repostitory use the command:\n`git commit -m \"changed config_cmaq.csh to fix issue X\"`\n 13. To commit changes to your Github repository on the branch 5.3_update use the command:\n`git push`\n 14. If you get a message that the push was rejected similar to the following:\n ```\n ! [rejected] 5.3_update -> 5.3_update (fetch first)\n error: failed to push some refs to 'https://github.com/CEMPD/CMAQ.git'\n hint: Updates were rejected because the remote contains work that you do\n hint: not have locally. This is usually caused by another repository pushing\n hint: to the same ref. You may want to first integrate the remote changes\n hint: (e.g., 'git pull ...') before pushing again.\n hint: See the 'Note about fast-forwards' in 'git push --help' for details.\n ```\n 15. This means the files have been changed on your Github repository since you last did a clone.\nUse the following command to get the changes that have been made to the remote git repository:\n`git pull`\n 16. You will be asked to merge the files if there are no changes that conflict with your file changes. IF successful you will see a message similar to the following, that indicates what files were changed.\n ```\n Merge made by the 'recursive' strategy.\n config_cmaq.csh | 4 ++--\n 1 file changed, 2 insertions(+), 2 deletions(-)\n ```\n 17. Retry the push command to place the changes that you committed to the local repository on your Github repository:\n`git push`\n 18. Go to your github page and use the Compare link to the right of the Pull Request link to see what changes you are proposing to make as compared to what is on the base repository: USEPA/CMAQ. Review your proposed code changes in the github \"Comparing Changes\" page. \n 19. Create a pull request to ask that the changes that you have made be incorporated into the EPA github site.\n\n\n## Guidelines for Developing New CMAQ Source Code\n\n### Object-oriented concepts\n\nTo make the CMAQ system robust and flexible, object-oriented concepts were incorporated into the design of the system. The incorporation of these ideas helps developers avoid introducing errors when code modifications are needed. Additionally, the system can easily and efficiently be modified, allowing the user to quickly create models for different applications. The implemen­tation language for CMAQ is Fortran 90, which imposes limits on how far one can go in terms of object-oriented design. In particular, because Fortran is a static language, objects cannot be instantiated dynamically; they must be declared explicitly in the source code to be created at compile time. However, to encourage a user community that will be contributing code for future enhancements, every attempt has been made to adhere to the Fortran 90 standard.\n\n### Global name data table\n\nTo implement modularity and data independence, we have employed design ideas that draw heavily from the object-oriented concept of ''inheritance ''and code re-use. The data structures in the codes that deal with the chemical mechanism, I/O API, logical file names, general constants, and pointers are determined by Fortran declarations in data and parameter statements in the CMAQ system. These data structures pertain to a particular application and are meant to apply globally—not just to one particular CCTM through all its subroutines, but also to all the models that supply data to CCTM for that application. These data structures are contained in Fortran INCLUDE files, which are essentially header files, included in the declaration sections near the top of the Fortran code source files. The inclusion of these source files is made automatic by using a generic string that represents the INCLUDE file and that is parsed and expanded to the actual INCLUDE file during a preprocessing stage in the compilation. The Fortran global INCLUDE files contain name tables that define:\n\n1. The chemical mechanism;\n2. The I/O API interface, including logical file names;\n3. The global modeling constants; and\n4. Other constants or parameters that apply across the model.\n\nTo effect the implementation of the INCLUDE files into the code, a special compiling system, Bldmake, was developed (Fine et al., 1998), which reads a configuration file that, based on the application, completely determines the model executable to be built. The ASCII configuration file can be generated either by the CMAQ system or by the users following a few, simple syntactical rules. In addition to the global INCLUDE files, the configuration file contains module commands that tell Bldmake to extract the codes for that module from the model code repository for compilation.\n\n### Thin Interface\n\nAs mentioned in [Chapter 4](CMAQ_OGD_ch04_science.md#modular-flexibility), CMAQ is designed to be robust and flexible with respect to the interchange of modules and the elimination of cross-module data dependencies. Consequently, the concept of a “thin interface” has been employed in the design, which applies principally to the class-drivers (i.e. the top level call to a science module). At a minimum, the thin interface implementation implies the following requirements:\n\n- Eliminate global memory references (across modules). This implies no common blocks across modules, no hidden data paths, and no “back doors.”\n- Each module reads and interpolates its required data independently. The I/O API helps to ensure this kind of data independence.\n- Standardized argument list (CGRID, Date, Time, TimeStep) for calling the class-driver. See the example in Section 9.2.6. These requirements attempt to incorporate the object-oriented idea of encapsulation in the CMAQ design. Rumbaugh et al. (1991) suggest that “Encapsulation (also information hiding) consists of separating the external aspects of an object, which are accessible to other objects, from the internal implementation details of the object, which are hidden from other objects. Encapsulation prevents a program from becoming so interdependent that a small change has massive ripple effects. The implementation'' ''of an object can be changed without affecting the applications that use it.”\n\nThe encapsulation design makes the CMAQ system safer and enables the transaction processing, plug-and-play capability. This design also makes it easier for a user to trace data and usage within a module, particularly at the class-driver level.\n\n### Coding guidelines\n\nTo maintain the object-oriented concepts implemented in the CMAQ system design, we have established a small set of coding guidelines that apply to those who develop CMAQ science modules and affect the low-level design of the models. We have developed standards to control data dependencies at the class-driver level, but we have not propagated these coding standards to the submodule level.\n\n1. The models are generally coded in Fortran (both Fortran 90 and Fortran 77 conventions are used by various developers). It is possible to link in subroutines written in the C language, although this has not been done within the current CMAQ implementation. While the Fortran 90 compiler will compile Fortran 77 code, the reverse is not true. Thus the Makefiles are set up to invoke the Fortran 90 compiler.\n2. To enable code compatibility between the Fortran 77 compiler and Fortran 90 code, the following guidance is provided: Line length beyond 72 characters is permissible in Fortran 90 (with line continuation indicated by an ending ‘&’), but not in Fortran 77; therefore, insertion of the ‘&’ in column 73 of the first line and in column 6 of the next line of the Fortran 90 code will ensure compatibility with both compilers (the ‘&’ at the beginning of a line is “in principle” ignored by the Fortran 90 compiler, but interpreted as a continuation character by the Fortran 77 compiler if it appears in column 6).\n3. The modules must be controlled by a top-level class-driver routine, whose calling arguments must be the computational concentration grid array (CGRID), the current scenario date (Date), scenario time (Time), and the controlling time step vector (TimeStep). (See Section 9.2.3 above.)\n4. The class-driver is also responsible for any temporal integration required within the module. (The time steps for process integration at the module level are usually shorter than those of the CCTM synchronization time step.)\n5. Any reads and writes for the module should be done at the level of the class-driver routine. Although not absolutely necessary, this is strongly suggested because it is usually much easier to control the timing of the data accesses at the highest level of the module where the current scenario date and time are known.\n6. Use the Fortran declaration IMPLICIT NONE to maintain some control on typographic errors and undefined variables. The use of IMPLICIT NONE forces the developer to declare all internal variables. This is standard in Fortran 90.\n7. Use the global INCLUDE files for chemical mechanism data, and other data where available.\n8. Use the I/O API for external data references where appropriate. For an illustration of these rules, see the code template provided in Section 9.2.6.\n\nAt the submodule level, there are no strict I/O or coding standards. Here it is envisioned that individual researchers/programmers use their own coding styles for their algorithms. However, the following suggestions are offered to facilitate the potential incorporation of a module into the CMAQ system:\n\n- In general, it is expected that MKS units are used for input and output variables, as these units have been standardized throughout the CMAQ system. Within a submodule subroutine, whatever units are most convenient can be used. However, the developer must be responsible for any unit conversions to MKS for input and output, and thus avoid potential errors.\n- For efficiency and performance considerations, operations may need to be done on groups of grid cells (a block of cells) at a time. If there are N cells in the block and the entire domain contains M cells, then the entire domain can be decomposed into M/N blocks. The default value of N is set to 500. For operations in the horizontal (x,y), the cell constraint becomes X×Y≤N, where X = number of cells in the x-direction, and Y = number of cells in the y-direction. For operations in both the horizontal and vertical, the constraint becomes X×Y×Z≤N, where Z = number of cells in the z-direction. There may be some operations, such as for some horizontal advection schemes, where this decomposition into blocks becomes more difficult or impossible.\n\n### Documentation guidelines\n\nAppropriate documentation is critical to the ease of use and maintainability of code developed for CMAQ. The official released version of CMAQ contains extensive in-line documentation and references to pertinent technical information whenever possible. Given the increasing number of new developers and code modules, the following guidelines are provided for new code developed for CMAQ:\n\n- The code revision history should be initiated or updated as appropriate for new and modified code, indicating the author, date, and nature of the revision. The revision history appears at the top of the subroutine.\n- Complete references to the pertinent technical documents should be provided whenever possible, and listed in comment lines immediately following the revision history notes. They should be cited in comments preceding, or embedded in-line with, the relevant code segments.\n- In-line documentation of the variable definitions indicating units is highly recommended in both subroutines and INCLUDE files, to facilitate the correct implementation of any code modifications in the future. This information is generally included in comments embedded in-line with the declaration of each variable.\n\n### Science process code template\n\nThe following example from CMAQ v4.7 illustrates a science process class-driver Fortran 90 subroutine. Code developers should follow this template, where appropriate, to maximize the benefit from the design concepts implemented in CMAQ. This template is generic and demonstrates many of the available features. Some class drivers and most other subprograms within a module may not have, nor require, most or any of these features. (The numbers at the left-hand margin refer to footnotes and are not part of the code, and the text within “< >” indicates code removed from the example for brevity in this section)\n\n**Example of Science Process Class-Driver**\n\n\n```Fortran\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE VDIFF ( CGRID, JDATE, JTIME, TSTEP )\n\nC-----------------------------------------------------------------------\nC Asymmetric Convective Model v2 (ACM2) -- Pleim(2006)\nC Function:\nC calculates and writes dry deposition.\nC calculates vertical diffusion\n\nC Subroutines and Functions Called:\nC INIT3, SEC2TIME, TIME2SEC, WRITE3, NEXTIME,\nC M3EXIT, EDDYX, TRI, MATRIX, PA_UPDATE_EMIS, PA_UPDATE_DDEP\nC Revision History:\nC Analogous to VDIFFIM (Eddy diffusion PBL scheme)\nC 03 Mar 16 G.Sarwar: updated for halogen emissions\nC 16 Sep 16 J.Young: update for inline procan (IPR)\nC-----------------------------------------------------------------------\n...\nC-----------------------------------------------------------------------\n\n USE CGRID_SPCS ! CGRID mechanism species\n USE GRID_CONF\n USE EMIS_DEFN\n USE DEPV_DEFN\n USE ASX_DATA_MOD\n USE VDIFF_MAP\n USE UTILIO_DEFN\n USE BIDI_MOD\n USE HGSIM\n USE LSM_MOD, Only: n_lufrac\n USE SEDIMENTATION\n USE VDIFF_DIAG\n USE PA_DEFN, Only: LIPR ! Process Anaylsis control and data variables\n\n IMPLICIT NONE\n\n INCLUDE SUBST_FILES_ID ! file name parameters\n\n CHARACTER( 120 ) :: XMSG = ' '\n\nC Arguments:\n\n REAL, POINTER :: CGRID( :,:,:,: ) ! concentrations\n INTEGER JDATE ! current model date, coded YYYYDDD\n INTEGER JTIME ! current model time, coded HHMMSS\n INTEGER TSTEP( 3 ) ! time step vector (HHMMSS)\n ! TSTEP(1) = local output step\n ! TSTEP(2) = sciproc sync. step (chem)\n ! TSTEP(3) = twoway model time step w.r.t. wrf time\n ! step and wrf/cmaq call frequency\n\nC Parameters:\n\nC External Functions: None\n\nC Local Variables:\n CHARACTER( 16 ), SAVE :: PNAME = 'VDIFFPROC'\n CHARACTER( 16 ), SAVE :: AERO_GRAV_SETL = 'CTM_GRAV_SETL'\n CHARACTER( 80 ) :: VARDESC ! env variable description\n LOGICAL, SAVE :: GRAV_SETL\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n LOGICAL, SAVE :: WRITE_FIRSTIME = .TRUE.\n INTEGER, SAVE :: WSTEP = 0 ! local write counter\n INTEGER STATUS ! ENV... status\n\n REAL :: FCJACMF( NCOLS,NROWS,NLAYS ) ! 1/ mid-full layer vert Jac factor\n REAL LRDX3M ! loop local RDX3M( L )\n REAL FCMSF ! loop local RMSFX4( C,R )\n\n REAL, ALLOCATABLE, SAVE :: CNGRD( :,:,:,: ) ! cgrid aero in mixing ratio\n REAL, ALLOCATABLE, SAVE :: DDEP ( :,:,: ) ! ddep accumulator\n REAL, ALLOCATABLE, SAVE :: ICMP ( :,:,: ) ! component flux accumlator\n REAL, ALLOCATABLE, SAVE :: DDEPJ ( :,:,:,: ) ! ddep for mosaic\n REAL, ALLOCATABLE, SAVE :: DDEPJ_FST( :,:,:,: ) ! ddep for stomtal/cuticular pathway\n\n REAL :: WRDD( NCOLS,NROWS ) ! ddep write buffer\n REAL :: WRDDJ( NCOLS,NROWS,N_LUFRAC+1 ) ! mosaic ddep write buffer\n REAL :: WRDDJ_FST( NCOLS,NROWS,N_LUFRAC+1 ) ! mosaic stomatal flux write buffer\n\n REAL, ALLOCATABLE, SAVE :: DDEP_PA ( :,:,: ) ! ddep for process analysis\n REAL, ALLOCATABLE, SAVE :: EMIS_PA( :,:,:,: ) ! emis for process analysis\n\n INTEGER, SAVE :: N_SPC_CGRID ! no. of CGRID species\n\n REAL :: EDDYV ( NCOLS,NROWS,NLAYS ) ! from EDYINTB\n REAL :: SEDDY ( NLAYS,NCOLS,NROWS ) ! flipped EDDYV\n REAL DTSEC ! model time step in seconds\n\n REAL, ALLOCATABLE, SAVE :: VSED_AE( :,:,:,: )\n\nC Local Variables\n\n INTEGER, SAVE :: LOGDEV\n\n INTEGER ASTAT\n INTEGER C, R, L, S, V, I, J, OFF ! loop induction variables\n INTEGER MDATE, MTIME, MSTEP ! internal simulation date&time\n\n INTERFACE\n SUBROUTINE PA_UPDATE_EMIS ( PNAME, VDEMIS, JDATE, JTIME, TSTEP )\n CHARACTER( * ), INTENT( IN ) :: PNAME\n REAL, INTENT( IN ) :: VDEMIS( :,:,:,: )\n INTEGER, INTENT( IN ) :: JDATE, JTIME\n INTEGER, INTENT( IN ) :: TSTEP( 3 )\n END SUBROUTINE PA_UPDATE_EMIS\n SUBROUTINE PA_UPDATE_DDEP ( PNAME, DDEP, JDATE, JTIME, TSTEP )\n CHARACTER( * ), INTENT( IN ) :: PNAME\n REAL, INTENT( IN ) :: DDEP( :,:,: )\n INTEGER, INTENT( IN ) :: JDATE, JTIME\n INTEGER, INTENT( IN ) :: TSTEP( 3 )\n END SUBROUTINE PA_UPDATE_DDEP\n SUBROUTINE CONV_CGRID ( CGRID, JDATE, JTIME, CNGRD )\n REAL, POINTER :: CGRID( :,:,:,: )\n INTEGER, INTENT( IN ) :: JDATE, JTIME\n REAL, INTENT( INOUT ) :: CNGRD( :,:,:,: )\n END SUBROUTINE CONV_CGRID\n SUBROUTINE REV_CGRID ( CNGRD, JDATE, JTIME, CGRID )\n REAL, INTENT( INOUT ) :: CNGRD( :,:,:,: )\n INTEGER, INTENT( IN ) :: JDATE, JTIME\n REAL, POINTER :: CGRID( :,:,:,: )\n END SUBROUTINE REV_CGRID\n SUBROUTINE EDDYX ( EDDYV )\n REAL, INTENT( OUT ) :: EDDYV( :,:,: )\n END SUBROUTINE EDDYX\n SUBROUTINE VDIFFACMX( dtsec, seddy, ddep, icmp, ddepj, ddepj_fst, cngrd )\n REAL, INTENT( IN ) :: dtsec\n REAL, INTENT( INOUT ) :: seddy( :,:,: )\n REAL, INTENT( INOUT ) :: ddep ( :,:,: )\n REAL, INTENT( INOUT ) :: icmp ( :,:,: )\n REAL, INTENT( INOUT ), OPTIONAL :: ddepj ( :,:,:,: )\n REAL, INTENT( INOUT ), OPTIONAL :: ddepj_fst( :,:,:,: )\n REAL, INTENT( INOUT ) :: cngrd( :,:,:,: )\n END SUBROUTINE VDIFFACMX\n END INTERFACE\n\nC-----------------------------------------------------------------------\n IF ( FIRSTIME ) THEN\n\n FIRSTIME = .FALSE.\n LOGDEV = INIT3()\n\n IF ( .NOT. DEPV_INIT ( JDATE, JTIME, TSTEP, CGRID ) ) THEN\n XMSG = 'Failure initializing deposition velocities module'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\nC create global maps\n IF ( .NOT. VDIFF_MAP_INIT( N_SPC_DEPV ) ) THEN\n XMSG = 'Failure initializing index mapping module'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\nC Initialize the met data\n CALL INIT_MET( JDATE, JTIME, MOSAIC, ABFLUX, HGBIDI )\n\n IF ( HGBIDI ) THEN ! Initialize HGSIM module\n CALL INIT_HGSIM(JDATE, JTIME)\n END IF\n\nC Get gravitational settling (sedi) flag.\n GRAV_SETL = .TRUE. ! default\n VARDESC = 'Using J-,K-mode aerosols gravitational settling'\n GRAV_SETL = ENVYN( AERO_GRAV_SETL, VARDESC, GRAV_SETL, STATUS )\n IF ( STATUS .EQ. 0 ) WRITE( LOGDEV, '(5X, A)' ) VARDESC\n\nC Get diagnostic files flag.\n VDIFFDIAG = .FALSE. ! default\n VARDESC = 'Writing the VDIFF diagnostic files'\n VDIFFDIAG = ENVYN( VDIFF_DIAG_FILE, VARDESC, VDIFFDIAG, STATUS )\n IF ( STATUS .EQ. 0 ) WRITE( LOGDEV, '(5X, A)' ) VARDESC\n\nC Set output file characteristics based on COORD.EXT and open the dry dep file\n IF ( IO_PE_INCLUSIVE ) THEN\n CALL OPDDEP ( JDATE, JTIME, TSTEP( 1 ), N_SPC_DDEP, ABFLUX )\n IF ( ABFLUX .OR. HGBIDI ) CALL OPASX_MEDIA( JDATE, JTIME, TSTEP( 1 ), ABFLUX )\n END IF\n\nC Open vdiff diagnostics file (ioapi header from cgrd)\n IF ( VDIFFDIAG ) THEN\n IF ( .NOT. VDIFF_DIAG_INIT ( JDATE, JTIME, TSTEP( 1 ), GRAV_SETL ) ) THEN\n XMSG = 'Failure initializing vdiff diagnostics module'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END IF\nC Allocate and initialize dry deposition array\n\n ALLOCATE ( DDEP( N_SPC_DEPV,NCOLS,NROWS ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating DDEP'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n DDEP = 0.0 ! array assignment\n\n ALLOCATE ( ICMP( LCMP,NCOLS,NROWS ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating ICMP'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n ICMP = 0.0 ! array assignment\n\n IF ( .NOT. EMIS_INIT ( JDATE, JTIME, TSTEP( 1 ) ) ) THEN\n XMSG = 'Failure initializing emissions module'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n\nC Set up for process analysis\n IF ( LIPR ) THEN\n ALLOCATE ( EMIS_PA( NCOLS,NROWS,EMLAYS,N_SPC_EMIS+1 ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'EMIS_PA memory allocation failed'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n ALLOCATE ( DDEP_PA( NCOLS,NROWS,N_SPC_DEPV ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'DDEP_PA memory allocation failed'\n CALL M3EXIT ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END IF\nC Set up for grav. settling\n IF ( GRAV_SETL ) THEN\n ALLOCATE ( VSED_AE( N_AE_SPC,NLAYS,NCOLS,NROWS ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating VSED_AE'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END IF\n\n N_SPC_CGRID = SIZE ( CGRID,4 )\n\n ALLOCATE ( CNGRD( N_SPC_CGRID,NLAYS,NCOLS,NROWS ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating CNGRD'\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n CNGRD = 0.0 ! array assignment\n\n IF ( MOSAIC ) THEN\n ALLOCATE ( DDEPJ( N_LUFRAC,N_SPC_DEPV,NCOLS,NROWS ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating DDEPJ'\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n DDEPJ = 0.0 ! array assignment\n IF ( IO_PE_INCLUSIVE )\n & CALL OPDDEP_MOS ( JDATE, JTIME, TSTEP( 1 ), N_SPC_DDEP )\n IF ( FST ) THEN\n ALLOCATE ( DDEPJ_FST( N_LUFRAC,N_SPC_DEPV,NCOLS,NROWS ), STAT = ASTAT )\n IF ( ASTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating DDEPJ_FST'\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n DDEPJ_FST = 0.0 ! array assignment\n IF ( IO_PE_INCLUSIVE )\n & CALL OPDDEP_FST ( JDATE, JTIME, TSTEP( 1 ), N_SPC_DDEP )\n END IF ! if Fst\n END IF ! if Mosaic\n\n END IF ! if Firstime\n\n MDATE = JDATE\n MTIME = JTIME\n MSTEP = TIME2SEC( TSTEP( 2 ) )\n DTSEC = FLOAT( MSTEP )\n CALL NEXTIME ( MDATE, MTIME, SEC2TIME( MSTEP / 2 ) )\n\nC Convert non-molar mixing ratio species and re-order CGRID\n CALL CONV_CGRID ( CGRID, MDATE, MTIME, CNGRD )\nC read & interpolate met data\n CALL GET_MET ( MDATE, MTIME, MSTEP, MOSAIC, ABFLUX, HGBIDI )\n\nC read & interpolate deposition velocities\n CALL GET_DEPV ( MDATE, MTIME, TSTEP, CGRID )\n\n IF ( GRAV_SETL ) THEN\nC Get gravitational settling velocity for the vsed aero species:\nC AERO_SEDV assumes that every aero species is dry deposited and is diffused (trns)\nC Calculate the changes in the layer J-,K-mode aerosol concentrations\n CALL SEDI( MDATE, MTIME, DTSEC, VSED_AE, CGRID, CNGRD )\n END IF\n\nC read & interpolate emissions data => VDEMIS from EMIS_DEFN module\n CALL GET_EMIS ( MDATE, MTIME, TSTEP, CONVPA, CGRID )\n\n IF ( LIPR ) THEN\n DO S = 1, N_SPC_EMIS+1\n DO L = 1, EMLAYS\n DO R = 1, MY_NROWS\n DO C = 1, MY_NCOLS\n EMIS_PA( C,R,L,S ) = VDEMIS( S,L,C,R )\n END DO\n END DO\n END DO\n END DO\n CALL PA_UPDATE_EMIS ( 'VDIF', EMIS_PA, JDATE, JTIME, TSTEP )\n END IF\n\n CALL EDDYX ( EDDYV )\n\nC EDDYV returned = Kz, where Kz is in m**2/sec\n\n DO L = 1, NLAYS\n LRDX3M = Grid_Data%RDX3M( L )\n DO R = 1, MY_NROWS\n DO C = 1, MY_NCOLS\n FCJACMF( C,R,L ) = LRDX3M * Met_Data%RJACM( C,R,L ) * Met_Data%RJACF( C,R,L )\n END DO\n END DO\n END DO\n DO R = 1, MY_NROWS\n DO C = 1, MY_NCOLS\n FCMSF = Grid_Data%RMSFX4( C,R )\n DO L = 1, NLAYS\n SEDDY( L,C,R ) = FCMSF * FCJACMF( C,R,L ) * EDDYV( C,R,L )\n END DO\n END DO\n END DO\n\n IF ( WSTEP .EQ. 0 ) THEN\n DDEP = 0.0 ! array assignment\n ICMP = 0.0 ! array assignment\n IF ( MOSAIC ) THEN\n DDEPJ = 0.0 ! array assignment\n IF ( FST ) DDEPJ_FST = 0.0 ! array assignment\n END IF\n END IF\n\nC Calculate the change in concentration and dry dep from vertical diffusion and vsed\nC Note: cngrd is the argument keyword (from the INTERFACE); CNGRD is the actual argument\n IF ( .NOT. MOSAIC ) THEN\n CALL VDIFFACMX( DTSEC, SEDDY, DDEP, ICMP,\n & cngrd = CNGRD )\n ELSE\n IF ( .NOT. FST ) THEN\n CALL VDIFFACMX( DTSEC, SEDDY, DDEP, ICMP,\n & ddepj = DDEPJ, cngrd = CNGRD )\n ELSE\n CALL VDIFFACMX( DTSEC, SEDDY, DDEP, ICMP,\n & ddepj = DDEPJ, ddepj_fst = DDEPJ_FST, cngrd = CNGRD )\n END IF\n END IF\n\n IF ( VDIFFDIAG ) THEN\n NTICS = NTICS + 1\n NLPCR_SUM = NLPCR_SUM + NLPCR_MEAN ! array assignment\n DO R = 1, MY_NROWS\n DO C = 1, MY_NCOLS\n NLPCR_MAX( C,R ) = MAX( NLPCR_MEAN( C,R ), NLPCR_MAX( C,R ) )\n NLPCR_MIN( C,R ) = MIN( NLPCR_MEAN( C,R ), NLPCR_MIN( C,R ) )\n END DO\n END DO\n IF ( GRAV_SETL ) THEN\n DTCCR_SUM = DTCCR_SUM + DTCCR_MEAN ! array assignment\n DO R = 1, MY_NROWS\n DO C = 1, MY_NCOLS\n DTCCR_MAX( C,R ) = MAX( DTCCR_MEAN( C,R ), DTCCR_MAX( C,R ) )\n DTCCR_MIN( C,R ) = MIN( DTCCR_MEAN( C,R ), DTCCR_MIN( C,R ) )\n END DO\n END DO\n END IF\n END IF\nC Revert non-molar mixing ratio species and re-order CGRID\n CALL REV_CGRID ( CNGRD, MDATE, MTIME, CGRID )\n\nC If last call this hour: write accumulated depositions:\n\n WSTEP = WSTEP + TIME2SEC( TSTEP( 2 ) )\n IF ( WSTEP .GE. TIME2SEC( TSTEP( 1 ) ) ) THEN\n MDATE = JDATE\n MTIME = JTIME\n CALL NEXTIME( MDATE, MTIME, TSTEP( 2 ) )\n WSTEP = 0\n\n#ifdef parallel_io\n IF ( WRITE_FIRSTIME ) THEN\n WRITE_FIRSTIME = .FALSE.\n\n IF ( .NOT. IO_PE_INCLUSIVE ) THEN\n IF ( .NOT. OPEN3( CTM_DRY_DEP_1, FSREAD3, PNAME ) ) THEN\n XMSG = 'Could not open ' // TRIM(CTM_DRY_DEP_1)\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n IF ( MOSAIC ) THEN\n IF ( .NOT. OPEN3( CTM_DRY_DEP_MOS, FSREAD3, PNAME ) ) THEN\n XMSG = 'Could not open ' // TRIM(CTM_DRY_DEP_MOS)\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n IF ( FST ) THEN\n IF ( .NOT. OPEN3( CTM_DRY_DEP_FST, FSREAD3, PNAME ) ) THEN\n XMSG = 'Could not open ' // TRIM(CTM_DRY_DEP_FST)\n CALL M3EXIT( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n END IF\n END IF\n END IF\n END IF ! .NOT. IO_PE_INCLUSIVE\n END IF\n#endif\n\n DO V = 1, N_SPC_DDEP\n S = DD2DV( V )\n DO R = 1, MY_NROWS\n DO C = 1, MY_NCOLS\n WRDD( C,R ) = DDEP( S,C,R )\n END DO\n END DO\n\n IF ( .NOT. WRITE3( CTM_DRY_DEP_1, DDEP_SPC( V ),\n & MDATE, MTIME, WRDD ) ) THEN\n XMSG = 'Could not write ' // CTM_DRY_DEP_1 // ' file'\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n\n IF ( ABFLUX .AND. TRIM( DDEP_SPC( V ) ) .EQ. 'NH3' ) THEN\n DO I = 1, LCMP\n DO R = 1, MY_NROWS\n DO C = 1, MY_NCOLS\n WRDD( C,R ) = ICMP( I,C,R )\n END DO\n END DO\n IF ( .NOT. WRITE3( CTM_DRY_DEP_1, CMPSPC( I ),\n & MDATE, MTIME, WRDD ) ) THEN\n XMSG = 'Could not write ' // CTM_DRY_DEP_1 // ' file'\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF \n END DO \n ENDIF\n\n END DO\n\n WRITE( LOGDEV, '( /5X, 3( A, :, 1X ), I8, \":\", I6.6 )' )\n & 'Timestep written to', CTM_DRY_DEP_1,\n & 'for date and time', MDATE, MTIME\n\nC Write vdiff diagnostics\n IF ( VDIFFDIAG ) THEN\n IF ( GRAV_SETL ) THEN ! Write vsed diagnostics\n\n DO V = 1, N_VSED\n S = VSED_MAP( V )\n DO L = 1, NLAYS\n DO R = 1, MY_NROWS\n DO C = 1, MY_NCOLS\n VSED_BUF( C,R,L,V ) = VSED_AE( S,L,C,R )\n END DO\n END DO\n END DO\n IF ( .NOT. WRITE3( CTM_VSED_DIAG, VSED_NAME( V ),\n & MDATE, MTIME, VSED_BUF( 1,1,1,V ) ) ) THEN\n XMSG = 'Could not write ' // TRIM( VSED_NAME( V ) )\n & // ' to ' // CTM_VSED_DIAG\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n END DO\n\n WRITE( LOGDEV, '( /5X, 3( A, :, 1X ), I8, \":\", I6.6 )' )\n & 'Timestep written to', CTM_VSED_DIAG,\n & 'for date and time', MDATE, MTIME\n\n END IF ! GRAV_SETL\n\nC Write other diagnostics\n NLPCR_MEAN = NLPCR_SUM / FLOAT( NTICS )\n IF ( .NOT. WRITE3( CTM_VDIFF_DIAG, 'NLP_MEAN',\n & MDATE, MTIME, NLPCR_MEAN ) ) THEN\n XMSG = 'Could not write ' // 'NLP_MEAN to ' // CTM_VDIFF_DIAG\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n IF ( .NOT. WRITE3( CTM_VDIFF_DIAG, 'NLP_MAX',\n & MDATE, MTIME, NLPCR_MAX ) ) THEN\n XMSG = 'Could not write ' // 'NLP_MAX to ' // CTM_VDIFF_DIAG\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n IF ( .NOT. WRITE3( CTM_VDIFF_DIAG, 'NLP_MIN',\n & MDATE, MTIME, NLPCR_MIN ) ) THEN\n XMSG = 'Could not write ' // 'NLP_MIN to ' // CTM_VDIFF_DIAG\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n NLPCR_MAX = 0.0 ! array assignment\n NLPCR_MIN = 9.9E30 ! array assignment\n NLPCR_SUM = 0.0 ! array assignment\n\n IF ( GRAV_SETL ) THEN ! Write vsed diagnostics\n DTCCR_MEAN = DTCCR_SUM / FLOAT( NTICS )\n IF ( .NOT. WRITE3( CTM_VDIFF_DIAG, 'SEDI_DTC_MEAN',\n & MDATE, MTIME, DTCCR_MEAN ) ) THEN\n XMSG = 'Could not write ' // 'SEDI_DTC_MEAN to ' // CTM_VDIFF_DIAG\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n IF ( .NOT. WRITE3( CTM_VDIFF_DIAG, 'SEDI_DTC_MAX',\n & MDATE, MTIME, DTCCR_MAX ) ) THEN\n XMSG = 'Could not write ' // 'SEDI_DTC_MAX to ' // CTM_VDIFF_DIAG\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n IF ( .NOT. WRITE3( CTM_VDIFF_DIAG, 'SEDI_DTC_MIN',\n & MDATE, MTIME, DTCCR_MIN ) ) THEN\n XMSG = 'Could not write ' // 'SEDI_DTC_MIN to ' // CTM_VDIFF_DIAG\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n DTCCR_MAX = 0.0 ! array assignment\n DTCCR_MIN = 9.9E30 ! array assignment\n DTCCR_SUM = 0.0 ! array assignment\n END IF\n\n CNVCT = 0.0 ! array assignment\n DO R = 1, MY_NROWS\n DO C = 1, MY_NCOLS\n IF ( Met_Data%CONVCT( C,R ) ) CNVCT( C,R ) = 1.0\n END DO\n END DO\n IF ( .NOT. WRITE3( CTM_VDIFF_DIAG, 'CONVCT',\n & MDATE, MTIME, CNVCT ) ) THEN\n XMSG = 'Could not write ' // 'convct to ' // CTM_VDIFF_DIAG\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n IF ( .NOT. WRITE3( CTM_VDIFF_DIAG, 'LPBL',\n & MDATE, MTIME, REAL( Met_Data%LPBL ) ) ) THEN\n XMSG = 'Could not write ' // 'lpbl to ' // CTM_VDIFF_DIAG\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n\n WRITE( LOGDEV, '( /5X, 3( A, :, 1X ), I8, \":\", I6.6, I6 )' )\n & 'Timestep written to', CTM_VDIFF_DIAG,\n & 'for date and time (and ntics)', MDATE, MTIME, NTICS\n NTICS = 0\n\n END IF\n\n IF ( MOSAIC ) THEN\n\n DO V = 1, N_SPC_DDEP\n S = DD2DV( V )\n WRDD = 0.0 ! reuse array since it has already been written for hour\n DO R = 1, MY_NROWS\n DO C = 1, MY_NCOLS\n DO J = 1, N_LUFRAC\n WRDD( C,R ) = WRDD( C,R ) + DDEPJ( J,S,C,R ) * Grid_Data%LUFRAC( C,R,J )\n WRDDJ( C,R,J ) = DDEPJ( J,S,C,R )\n END DO\n WRDDJ( C,R,N_LUFRAC+1 ) = WRDD( C,R ) ! last array element is total across all land use categories\n END DO\n END DO\n\n IF ( .NOT. WRITE3( CTM_DRY_DEP_MOS, DDEP_SPC( V ),\n & MDATE, MTIME, WRDDJ ) ) THEN\n XMSG = 'Could not write ' // CTM_DRY_DEP_MOS // ' file'\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n\n END DO\n\n WRITE( LOGDEV, '( /5X, 3( A, :, 1X ), I8, \":\", I6.6 )' )\n & 'Timestep written to', CTM_DRY_DEP_MOS,\n & 'for date and time', MDATE, MTIME\n\n IF ( FST ) THEN\n\n DO V = 1, N_SPC_DDEP\n S = DD2DV( V )\n WRDD = 0.0 ! reuse array since it has already been written for hour\n DO R = 1, MY_NROWS\n DO C = 1, MY_NCOLS\n DO J = 1, N_LUFRAC\n WRDD( C,R ) = WRDD( C,R ) + DDEPJ_FST( J,S,C,R ) * Grid_Data%LUFRAC( C,R,J )\n WRDDJ_FST( C,R,J ) = DDEPJ_FST( J,S,C,R )\n IF ( DDEPJ_FST( J,S,C,R ) .GT. DDEPJ( J,S,C,R ) ) THEN\n WRITE( LOGDEV,* ) 'FST too big !!!'\n WRITE( LOGDEV,* ) 'J,S,C,R = ', J, S, C, R\n WRITE( LOGDEV,* ) 'DDEPJ,DDEPJ_FST: ', DDEPJ( J,S,C,R ), DDEPJ_FST( J,S,C,R )\n WRITE( LOGDEV,* ) 'DDEP Species: ', DDEP_SPC( V )\n WRITE( LOGDEV,* ) 'Time and date: ', MTIME, MDATE\n END IF\n END DO\n WRDDJ_FST( C,R,N_LUFRAC+1 ) = WRDD( C,R ) ! last array element is total across all land use categories\n END DO\n END DO\n\n IF ( .NOT. WRITE3( CTM_DRY_DEP_FST, DDEP_SPC( V ),\n & MDATE, MTIME, WRDDJ_FST ) ) THEN\n XMSG = 'Could not write ' // CTM_DRY_DEP_FST // ' file'\n CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )\n END IF\n\n END DO\n\n WRITE( LOGDEV, '( /5X, 3( A, :, 1X ), I8, \":\", I6.6 )' )\n & 'Timestep written to', CTM_DRY_DEP_FST,\n & 'for date and time', MDATE, MTIME\n\n END IF ! FST\n\n END IF ! MOSAIC\n\n IF ( ABFLUX .OR. HGBIDI ) THEN \n CALL WRASX_MEDIA( MDATE, MTIME, ABFLUX )\n END IF\n\n IF ( LIPR ) THEN\n DO V = 1, N_SPC_DEPV\n DO R = 1, MY_NROWS\n DO C = 1, MY_NCOLS\n DDEP_PA( C,R,V ) = DDEP( V,C,R )\n END DO\n END DO\n END DO\n CALL PA_UPDATE_DDEP ( 'VDIF', DDEP_PA, JDATE, JTIME, TSTEP )\n END IF\n\nC re-set dry deposition array to zero\n\n DDEP = 0.0\n ICMP = 0.0\n IF ( MOSAIC ) THEN\n DDEPJ = 0.0 ! array assignment\n IF ( FST ) DDEPJ_FST = 0.0 ! array assignment\n END IF\n\n END IF\n\n RETURN\n END\n```\n\n**Notes:**\n\n1. Header comments - Highly recommended for internal documentation.\n2. USE includes the Fortran source file specified.\n3. IMPLICIT NONE must be used in Fortran 90, i.e., implicit declarations are not supported. This dramatically reduces errors due to typos and undefined variables.\n4. Chemical mechanism array dimensioning and looping global variables.\n5. C preprocessor flags that determine which emissions control dimensioning and looping variables are compiled.\n6. Other global array dimensioning and looping global variables, including those for the I/O API. The logical variable LIPR is defined in the SUBST_PACTL_ID INCLUDE file for use at lines labeled (18).\n7. Local variable declaration. Note syntax differences from Fortran-77.\n8. Declarations for the argument list (standardized).\n9. Declarations and PARAMETER statements for local Fortran parameters, illustrating in-line documentation of variables and units. Note syntax differences from Fortran-77.\n10. Declarations for external functions not previously declared.\n11. Declarations for arrays to hold external file data.\n12. Declarations and definitions for local and saved variables, and dynamic memory allocations.\n13. Interface is a convenient way to declare calling arguments to a subroutine as input, output, or both in the calling program through the INTENT variable specification (as IN, OUT, or IN OUT). No other declaration of the calling arguments is necessary in the calling program. If IN only, the values of arguments can be passed explicitly in the subroutine call. If OUT, the argument must be passed as a variable.\n14. Code section for subroutine initialization and for any local data that need not be set at every entry into the subroutine. Such data would require a SAVE statement in the declarations. For example, FIRSTIME is initialized to .TRUE. in the local variables section.\n15. Illustration of memory allocation for a variable declared as allocatable. In this example, NLAYS is accessed from the COORD.EXT file.\n16. Illustrates using an I/O API function to set file interpolation time.\n17. Meteorological and other data are read and interpolated through a series of subroutine calls. These subroutines in turn use I/O API utilities to perform the time interpolation of the desired met variables, deposited and emitted species.\n18. Call to process analysis routine to obtain data for the optional integrated process rates function.\n19. Illustrates call to another science process within the module.\n20. Main computational loop over the horizontal grid.\n21. Time-step loop over subsynchronization time step intervals.\n22. Illustrates writing to an I/O API file within a module.\n23. Subroutine end\n\n## Compiling CMAQ with New Source Code\n\nThe following steps are recommended for compiling CMAQ when a new module has been developed. The procedure creates a Makefile, which can then be modified to add the new module in the appropriate class, but the same steps can be used to obtain a configuration file that can be similarly modified to add the new module.\n\n- On the computational platform of choice, install CMAQ using Git.\n- In the $CMAQ_HOME/CCTM/scripts/ subdirectory, modify a file called bldit.cctm by uncommenting the line “set MakeOpt” (remove the leading ‘#’ character).\n- Execute the bldit.cctm script. This creates a Makefile as well as a configuration file in the subdirectory $CMAQ_HOME/CCTM/scripts/BLD_CCTM_v52b_{compiler}, where the model code has been copied.\n- The Makefile can be modified to compile and link the new module by specifying .o for the object file that needs to be linked in. It is essential that a source file with the corresponding name (with extension “.F”) reside in the same directory as the specified path name for the object file.\n- Issue the “make” command to compile the source code into an executable.\n\n\n## Guidelines to Writing Shell Scripts for CMAQ\n\nTo run a model executable, various UNIX environment variables must be set in the shell that invokes the execute command. Generally, these variables involve the modeling scenario start date and time, the run duration, the output time step interval, various internal code flags that differ among the models, and all the input and output logical (symbolic) file names. There are various ways that external file names can be referenced in the source code, and UNIX platforms can link them by using environment variables. There are I/O API utility functions that allow users to easily access these variables in the code in a generic and portable manner. An additional feature that is provided through the I/O API is the ability to declare a file “volatile” by appending a -v flag in the shell’s declaration for the environment variable. By doing this, the I/O API will cause the netCDF file to update (sync) its disk copy after every write and thereby update the netCDF header. Otherwise, netCDF (I/O API) file headers are not updated until the files are closed. This feature is useful, for example, for allowing a user to analyze an open netCDF file using visualization tools while the model is executing. It is also useful in case of a system crash. A CCTM model can be restarted at the scenario time step after the last successful write using the aborted output file as the input initial data.\n\nThe following is a sample run script that can be downloaded from the CMAS web site. The build and run scripts are part of the downloaded tar file from this site.\n\n```Tcsh\n#!/bin/csh -f\n\n# ====================== CCTMv5.1 Run Script ======================\n# Usage: run.cctm >&! cctm_D51a.log & \n#\n# To report problems or request help with this script/program: \n# http://www.cmascenter.org\n# ===================================================================\n\n# ==================================================================\n#> Runtime Environment Options\n# ==================================================================\n\n#> Choose compiler and set up CMAQ environment with correct\n#> libraries using config.cmaq. Options: intel | gcc | pgi\n setenv compiler intel\n setenv compilerVrsn 13.1\n\n#> Source the config.cmaq file to set the build environment\n cd ../..\n source ./config_cmaq.csh\n cd CCTM/scripts\n\n#> Set General Parameters for Configuring the Simulation\n set VRSN = v52 #> Code Version\n set PROC = mpi #> serial or mpi\n set MECH = cb6r3_ae6_aq #> Mechanism ID\n set EMIS = 2013ef #> Emission Inventory Details\n set APPL = SE52BENCH #> Application Name (e.g. Gridname)\n\n#> Define RUNID as any combination of parameters above or others. By default,\n#> this information will be collected into this one string, $RUNID, for easy\n#> referencing in output binaries and log files as well as in other scripts.\n setenv RUNID ${VRSN}_${compiler}_${APPL}\n\n#> Set the build directory (this is where the CMAQ executable\n#> is located by default).\n set BLD = ${CMAQ_HOME}/CCTM/scripts/BLD_CCTM_${VRSN}_${compiler}\n set EXEC = CCTM_${VRSN}.exe\n cat $BLD/CCTM_${VRSN}.cfg; echo \" \"; set echo\n\n#> Set Working, Input, and Output Directories\n setenv WORKDIR ${CMAQ_HOME}/CCTM/scripts #> Working Directory. Where the runscript is.\n setenv OUTDIR ${CMAQ_DATA}/output_CCTM_${RUNID} #> Output Directory\n setenv INPDIR ${CMAQ_DATA}/SE52BENCH/single_day/cctm_input #> Input Directory\n setenv LOGDIR ${OUTDIR} #> Log Directory Location\n setenv NMLpath ${BLD} #> Location of Namelists. Common places are:\n #> ${WORKDIR} | ${CCTM_SRC}/MECHS/${MECH} | ${BLD}\n\n# =====================================================================\n#> CCTM Configuration Options\n# =====================================================================\n\n#> Set Start and End Days for looping\n setenv NEW_START TRUE #> Set to FALSE for model restart\n set START_DATE = \"2011-07-01\" #> beginning date (July 1, 2011)\n set END_DATE = \"2011-07-01\" #> ending date (July 14, 2011)\n\n#> Set Timestepping Parameters\nset STTIME = 000000 #> beginning GMT time (HHMMSS)\nset NSTEPS = 240000 #> time duration (HHMMSS) for this run\nset TSTEP = 010000 #> output time step interval (HHMMSS)\n\n#> Horizontal domain decomposition\nif ( $PROC == serial ) then\n setenv NPCOL_NPROW \"1 1\"; set NPROCS = 1 # single processor setting\nelse\n @ NPCOL = 4; @ NPROW = 2\n @ NPROCS = $NPCOL * $NPROW\n setenv NPCOL_NPROW \"$NPCOL $NPROW\";\nendif\n\n#> Vertical extent\nset NZ = 35\n\n#setenv LOGFILE $CMAQ_HOME/$RUNID.log #> log file name; uncomment to write standard output to a log, otherwise write to screen\n\nsetenv GRID_NAME SE52BENCH #> check GRIDDESC file for GRID_NAME options\nsetenv GRIDDESC $INPDIR/GRIDDESC #> grid description file\n\n#> Output Species and Layer Options\n#> CONC file species; comment or set to \"ALL\" to write all species to CONC\n #setenv CONC_SPCS \"O3 NO ANO3I ANO3J NO2 FORM ISOP ANH4J ASO4I ASO4J\"\n #setenv CONC_BLEV_ELEV \" 1 4\" #> CONC file layer range; comment to write all layers to CONC\n\n#> ACONC file species; comment or set to \"ALL\" to write all species to ACONC\n #setenv AVG_CONC_SPCS \"O3 NO CO NO2 ASO4I ASO4J NH3\"\n setenv AVG_CONC_SPCS \"ALL\"\n setenv ACONC_BLEV_ELEV \" 1 1\" #> ACONC file layer range; comment to write all layers to ACONC\n #setenv ACONC_END_TIME Y #> override default beginning ACON timestamp [ default: N ]\n\nsetenv EXECUTION_ID $EXEC #> define the model execution id\n\n#> Sychronization Time Step and Tolerance Options\nsetenv CTM_MAXSYNC 300 #> max sync time step (sec) [ default: 720 ]\nsetenv CTM_MINSYNC 60 #> min sync time step (sec) [ default: 60 ]\nsetenv SIGMA_SYNC_TOP 0.7 #> top sigma level thru which sync step determined [ default: 0.7 ]\n#setenv ADV_HDIV_LIM 0.95 #> maximum horiz. div. limit for adv step adjust [ default: 0.9 ]\nsetenv CTM_ADV_CFL 0.95 #> max CFL [ default: 0.75]\n#setenv RB_ATOL 1.0E-09 #> global ROS3 solver abs tol [ default: 1.0E-07 ]\n\n#> Science Options\nsetenv CTM_WB_DUST Y #> use inline windblown dust emissions [ default: Y ]\nsetenv CTM_ERODE_AGLAND Y #> use agricultural activity for windblown dust\n #> [ default: N ]; ignore if CTM_WB_DUST = N\nsetenv CTM_WBDUST_BELD BELD3 #> landuse database for identifying dust source regions\n #> [ default: BELD3 ]; ignore if CTM_WB_DUST = N\nsetenv CTM_LTNG_NO Y #> turn on lightning NOx [ default: N ]\nsetenv CTM_WVEL Y #> save derived vertical velocity component to conc\n #> file [ default: N ]\nsetenv KZMIN Y #> use Min Kz option in edyintb [ default: Y ],\n #> otherwise revert to Kz0UT\nsetenv CTM_ILDEPV Y #> calculate in-line deposition velocities [ default: Y ]\nsetenv CTM_MOSAIC N #> landuse specific deposition velocities [ default: N ]\nsetenv CTM_ABFLUX Y #> ammonia bi-directional flux for in-line deposition\n #> velocities [ default: N ]; ignore if CTM_ILDEPV = N\nsetenv CTM_HGBIDI N #> mercury bi-directional flux for in-line deposition\n #> velocities [ default: N ]; ignore if CTM_ILDEPV = N\nsetenv CTM_SFC_HONO Y #> surface HONO interaction [ default: Y ]; ignore if CTM_ILDEPV = N\nsetenv CTM_GRAV_SETL Y #> vdiff aerosol gravitational sedimentation [ default: Y ]\nsetenv CTM_BIOGEMIS Y #> calculate in-line biogenic emissions [ default: N ]\nsetenv CTM_PT3DEMIS Y #> calculate in-line plume rise for elevated point emissions\n #> [ default: N ]\nsetenv CTM_ZERO_PCSOA N #> turn off the emissions of the VOC precursor to pcSOA.\n #> The CMAQ dev team recommends leaving pcSOA mass in the\n #> model for production runs. [ default: N ]\n\n#> Process Analysis Options\nsetenv CTM_PROCAN N #> use process analysis [ default: N]\n#> process analysis global column, row and layer ranges\n#> user must check GRIDDESC for validity!\nsetenv PA_BCOL_ECOL \"10 320\"\nsetenv PA_BROW_EROW \"10 195\"\nsetenv PA_BLEV_ELEV \"1 4\"\n\n#> I/O Controls\nsetenv IOAPI_LOG_WRITE F #> turn on excess WRITE3 logging [ options: T | F ]\nsetenv FL_ERR_STOP N #> stop on inconsistent input files\nsetenv PROMPTFLAG F #> turn on I/O-API PROMPT*FILE interactive mode [ options: T | F ]\nsetenv IOAPI_OFFSET_64 NO #> support large timestep records (>2GB/timestep record) [ options: YES | NO ]\nsetenv CTM_EMISCHK N #> Abort CMAQ if missing surrogates from emissions Input files\n\n#> Aerosol Diagnostic Controls\nsetenv CTM_AVISDIAG Y #> Aerovis diagnostic file [ default: N ]\nsetenv AVG_FILE_ENDTIME N #> What is this [ default: N ]\n\n#> Diagnostic Output Flags\nsetenv CTM_CKSUM Y #> cksum report [ default: Y ]\nsetenv CLD_DIAG Y #> cloud diagnostic file [ default: N ]\nsetenv CTM_AERDIAG Y #> aerosol diagnostic file [ default: N ]\nsetenv CTM_PHOTDIAG Y #> photolysis diagnostic file [ default: N ]\nsetenv CTM_SSEMDIAG Y #> sea-salt emissions diagnostic file [ default: N ]\nsetenv CTM_DUSTEM_DIAG Y #> windblown dust emissions diagnostic file [ default: N ]; ignore if CTM_WB_DUST = N\nsetenv CTM_DEPV_FILE Y #> deposition velocities diagnostic file [ default: N ]\nsetenv VDIFF_DIAG_FILE Y #> vdiff & possibly aero grav. sedimentation diagnostic file [ default: N ]\nsetenv LTNGDIAG Y #> lightning diagnostic file [ default: N ]\nsetenv CTM_AOD Y #> AOD diagnostic file [ default: N ]\nsetenv B3GTS_DIAG Y #> beis mass emissions diagnostic file [ default: N ]\nsetenv PT3DDIAG N #> optional 3d point source emissions diagnostic file [ default: N]; ignore if CTM_PT3DEMIS = N\nsetenv PT3DFRAC N #> optional layer fractions diagnostic (play) file(s) [ default: N]; ignore if CTM_PT3DEMIS = N\nsetenv REP_LAYER_MIN -1 #> Minimum layer for reporting plume rise info [ default: -1 ]\n\nset DISP = delete #> [ delete | keep ] existing output files\n\n\n# =====================================================================\n#> Input Directories and Filenames\n# =====================================================================\n\nset ICpath = $INPDIR/icbc #> initial conditions input directory\nset BCpath = $INPDIR/icbc #> boundary conditions input directory\nset EMISpath = $INPDIR/emis/gridded_area #> surface emissions input directory\nset IN_PTpath = $INPDIR/emis/inln_point #> elevated emissions input directory (in-line point only)\nset IN_LTpath = $INPDIR/lightning #> lightning NOx input directory\nset METpath = $INPDIR/met/mcip #> meteorology input directory\n#set JVALpath = $INPDIR/jproc #> offline photolysis rate table directory\nset OMIpath = $BLD #> ozone columne data for the photolysis model\nset LUpath = $INPDIR/land #> BELD landuse data for windblown dust model\nset SZpath = $INPDIR/land #> surf zone file for in-line seasalt emissions\n\nset ICBC_CASE = 2013ef_v6_13g_s07 #> Version label for the ICBCs\nset EMIS_CASE = 2013ef_v6_13g_s07_hg #> Version Label for the Emissions\n\n# =====================================================================\n#> Begin Loop Through Simulation Days\n# =====================================================================\n\nset TODAYG = ${START_DATE}\nset TODAYJ = `date -ud \"${START_DATE}\" +%Y%j` #> Convert YYYY-MM-DD to YYYYJJJ\nset STOP_DAY = `date -ud \"${END_DATE}\" +%Y%j` #> Convert YYYY-MM-DD to YYYYJJJ\n\nwhile ($TODAYJ <= $STOP_DAY ) #>Compare dates in terms of YYYYJJJ\n\n #> Retrieve Calendar day Information\n set YYYYMMDD = `date -ud \"${TODAYG}\" +%Y%m%d` #> Convert YYYY-MM-DD to YYYYMMDD\n set YYMMDD = `date -ud \"${TODAYG}\" +%y%m%d` #> Convert YYYY-MM-DD to YYMMDD\n set YYYYJJJ = $TODAYJ\n\n #> Calculate Yesterday's Date\n set YESTERDAY = `date -ud \"${TODAYG}-1days\" +%Y%m%d` #> Convert YYYY-MM-DD to YYYYJJJ\n\n# =====================================================================\n#> Input Files (Some are Day-Dependent)\n# =====================================================================\n\n #> Initial conditions\n if ($NEW_START == true || $NEW_START == TRUE ) then\n setenv ICFILE ICON_20110630_bench.nc\n rm -rf $LOGDIR/CTM_LOG*${RUNID}* # Remove all Log Files Since this is a new start\n mkdir -p $OUTDIR\n else\n set ICpath = $OUTDIR\n setenv ICFILE CCTM_CGRID_${RUNID}_${YESTERDAY}.nc\n endif\n\n #> Boundary conditions\n set BCFILE = BCON_${YYYYMMDD}_bench.nc\n\n #> Off-line photolysis rates\n #set JVALfile = JTABLE_${YYYYJJJ}\n\n #> Ozone column data\n set OMIfile = OMI_1979_to_2015.dat\n\n #> Optics file\n set OPTfile = PHOT_OPTICS.dat\n\n #> MCIP meteorology files\n setenv GRID_BDY_2D $METpath/GRIDBDY2D_${YYMMDD}.nc\n setenv GRID_CRO_2D $METpath/GRIDCRO2D_${YYMMDD}.nc\n setenv GRID_CRO_3D $METpath/GRIDCRO3D_${YYMMDD}.nc\n setenv GRID_DOT_2D $METpath/GRIDDOT2D_${YYMMDD}.nc\n setenv MET_CRO_2D $METpath/METCRO2D_${YYMMDD}.nc\n setenv MET_CRO_3D $METpath/METCRO3D_${YYMMDD}.nc\n setenv MET_DOT_3D $METpath/METDOT3D_${YYMMDD}.nc\n setenv MET_BDY_3D $METpath/METBDY3D_${YYMMDD}.nc\n\n setenv LAYER_FILE $MET_CRO_3D # Deprecated: MET_CRO_3D is now read directly in CCTM\n\n\n #> Emissions files\n if ( $CTM_PT3DEMIS == 'N' ) then\n #> Offline 3d emissions file name\n set EMISfile = emis_mole_all_${YYYYMMDD}_cb6_bench.nc\n else\n #> In-line emissions configuration\n set STKCASEG = 12US1_2011ek_cb6cmaq_v6_11g # Stack Group Version Label\n set STKCASEE = 12US1_cmaq_cb6e51_2011ek_cb6cmaq_v6_11g # Stack Emission Version Label\n set EMISfile = emis_mole_all_${YYYYMMDD}_cb6_bench.nc #> Surface emissions\n setenv NPTGRPS 5 #> Number of elevated source groups\n\n setenv STK_GRPS_01 $IN_PTpath/stack_groups/stack_groups_ptnonipm_${STKCASEG}.nc\n setenv STK_GRPS_02 $IN_PTpath/stack_groups/stack_groups_ptegu_${STKCASEG}.nc\n setenv STK_GRPS_03 $IN_PTpath/stack_groups/stack_groups_othpt_${STKCASEG}.nc\n setenv STK_GRPS_04 $IN_PTpath/stack_groups/stack_groups_ptfire_${YYYYMMDD}_${STKCASEG}.nc\n setenv STK_GRPS_05 $IN_PTpath/stack_groups/stack_groups_pt_oilgas_${STKCASEG}.nc\n setenv LAYP_STTIME $STTIME\n setenv LAYP_NSTEPS $NSTEPS\n\n setenv STK_EMIS_01 $IN_PTpath/ptnonipm/inln_mole_ptnonipm_${YYYYMMDD}_${STKCASEE}.nc\n setenv STK_EMIS_02 $IN_PTpath/ptegu/inln_mole_ptegu_${YYYYMMDD}_${STKCASEE}.nc\n setenv STK_EMIS_03 $IN_PTpath/othpt/inln_mole_othpt_${YYYYMMDD}_${STKCASEE}.nc\n setenv STK_EMIS_04 $IN_PTpath/ptfire/inln_mole_ptfire_${YYYYMMDD}_${STKCASEE}.nc\n setenv STK_EMIS_05 $IN_PTpath/pt_oilgas/inln_mole_pt_oilgas_${YYYYMMDD}_${STKCASEE}.nc\n setenv LAYP_STDATE $YYYYJJJ\n endif\n\n #> Lightning NOx configuration\n if ( $CTM_LTNG_NO == 'Y' ) then\n setenv LTNGNO \"InLine\" #> set LTNGNO to \"Inline\" to activate in-line calculation\n\n #> In-line lightning NOx options\n setenv USE_NLDN Y #> use hourly NLDN strike file [ default: Y ]\n setenv LTNGPARAM Y #> use lightning parameter file [ default: Y ]\n if ( $USE_NLDN == Y ) then\n setenv NLDN_STRIKES $INPDIR/lightning/NLDN.12US1.${YYYYMMDD}_bench.nc\n else\n setenv LOG_START 2.0 #> RC value to transit linear to log linear\n endif\n setenv LTNGPARMS_FILE $INPDIR/lightning/LTNG_AllParms_12US1_bench.nc #> lightning parameter file; ignore if LTNGPARAM = N\n endif\n\n\n #> In-line biogenic emissions configuration\n if ( $CTM_BIOGEMIS == 'Y' ) then\n set IN_BEISpath = ${INPDIR}/land\n set GSPROpath = ${IN_BEISpath}\n setenv GSPRO $GSPROpath/gspro_biogenics_1mar2017.txt\n setenv B3GRD $IN_BEISpath/b3grd_bench.nc\n setenv BIOG_SPRO B10C6 #> speciation profile to use for biogenics\n setenv BIOSW_YN N #> use frost date switch [ default: Y ]\n setenv BIOSEASON $IN_BEISpath/bioseason.12US1.2006.09apr2012_bench.nc #> ignore season switch file if BIOSW_YN = N\n setenv SUMMER_YN N #> Use summer normalized emissions? [ default: Y ]\n setenv PX_VERSION Y #> MCIP is PX version? [ default: N ]\n setenv SOILINP $OUTDIR/CCTM_SOILOUT_${RUNID}_${YESTERDAY}.nc\n #> Biogenic NO soil input file; ignore if NEW_START = TRUE\n endif\n\n #> Windblown dust emissions configuration\n if ( $CTM_WB_DUST == 'Y' ) then\n # Input variables for BELD3 Landuse option\n setenv DUST_LU_1 $LUpath/beld3_12US1_459X299_output_a_bench.nc\n setenv DUST_LU_2 $LUpath/beld4_12US1_459X299_output_tot_bench.nc\n setenv MODIS_FPAR $LUpath/modis_bench.nc\n\n if ( $CTM_ERODE_AGLAND == 'Y' ) then\n setenv CROPMAP01 ${INPDIR}/land/BeginPlanting_12km_bench.nc\n setenv CROPMAP04 ${INPDIR}/land/EndPlanting_12km_bench.nc\n setenv CROPMAP08 ${INPDIR}/land/EndHarvesting_12km_bench.nc\n endif\n endif\n\n #> In-line sea salt emisisions configuration\n setenv OCEAN_1 $SZpath/12US1_surf_bench.nc #> horizontal grid-dependent surf zone file\n\n #> Bidiretional ammonia configuration\n if ( $CTM_ABFLUX == 'Y' ) then\n setenv E2C_Soilfile ${INPDIR}/land/2011_US1_soil_bench.nc\n setenv E2C_Fertfile ${INPDIR}/land/2011_US1_time${YYYYMMDD}_bench.nc\n setenv B4LU_file ${INPDIR}/land/beld4_12kmCONUS_2006nlcd_bench.nc\n setenv E2C_SOIL ${E2C_Soilfile}\n setenv E2C_FERT ${E2C_Fertfile}\n setenv BELD4_LU ${B4LU_file}\n endif\n\n# =====================================================================\n#> Output Files\n# =====================================================================\n #> set output file name extensions\n setenv CTM_APPL ${RUNID}_${YYYYMMDD}\n #> set output file names\n setenv S_CGRID \"$OUTDIR/CCTM_CGRID_${CTM_APPL}.nc\" #> 3D Inst. Concenctrations\n setenv CTM_CONC_1 \"$OUTDIR/CCTM_CONC_${CTM_APPL}.nc -v\" #> On-Hour Concentrations\n setenv A_CONC_1 \"$OUTDIR/CCTM_ACONC_${CTM_APPL}.nc -v\" #> Hourly Avg. Concentrations\n setenv MEDIA_CONC \"$OUTDIR/CCTM_MEDIA_CONC_${CTM_APPL}.nc -v\" #> NH3 Conc. in Media\n setenv CTM_DRY_DEP_1 \"$OUTDIR/CCTM_DRYDEP_${CTM_APPL}.nc -v\" #> Hourly Dry Deposition\n setenv CTM_DEPV_DIAG \"$OUTDIR/CCTM_DEPV_${CTM_APPL}.nc -v\" #> Dry Deposition Velocities\n setenv CTM_PT3D_DIAG \"$OUTDIR/CCTM_PT3D_${CTM_APPL}.nc -v\" #>\n setenv B3GTS_S \"$OUTDIR/CCTM_B3GTS_S_${CTM_APPL}.nc -v\" #> Biogenic Emissions\n setenv SOILOUT \"$OUTDIR/CCTM_SOILOUT_${CTM_APPL}.nc\" #> Soil Emissions\n setenv CTM_WET_DEP_1 \"$OUTDIR/CCTM_WETDEP1_${CTM_APPL}.nc -v\" #> Wet Dep From All Clouds\n setenv CTM_WET_DEP_2 \"$OUTDIR/CCTM_WETDEP2_${CTM_APPL}.nc -v\" #> Wet Dep From SubGrid Clouds\n setenv CTM_VIS_1 \"$OUTDIR/CCTM_PMVIS_${CTM_APPL}.nc -v\" #> On-Hour Visibility\n setenv CTM_AVIS_1 \"$OUTDIR/CCTM_APMVIS_${CTM_APPL}.nc -v\" #> Hourly-Averaged Visibility\n setenv CTM_ELMO_1 \"$OUTDIR/CCTM_ELMO_${CTM_APPL}.nc -v\" #> On-Hour Particle Diagnostics\n setenv CTM_AELMO_1 \"$OUTDIR/CCTM_AELMO_${CTM_APPL}.nc -v\" #> Hourly Avg. Particle Diagnostic\n setenv CTM_RJ_1 \"$OUTDIR/CCTM_PHOTDIAG1_${CTM_APPL}.nc -v\" #> Photolysis Rxn Diagnostics\n setenv CTM_RJ_2 \"$OUTDIR/CCTM_PHOTDIAG2_${CTM_APPL}.nc -v\" #> Photolysis Rates Output\n setenv CTM_SSEMIS_1 \"$OUTDIR/CCTM_SSEMIS.${CTM_APPL}.nc -v\" #> Sea Spray Emissions\n setenv CTM_DUST_EMIS_1 \"$OUTDIR/CCTM_DUSTEMIS.${CTM_APPL}.nc -v\" #> Dust Emissions\n setenv CTM_IPR_1 \"$OUTDIR/CCTM_PA_1_${CTM_APPL}.nc -v\" #> Process Analysis\n setenv CTM_IPR_2 \"$OUTDIR/CCTM_PA_2_${CTM_APPL}.nc -v\" #> Process Analysis\n setenv CTM_IPR_3 \"$OUTDIR/CCTM_PA_3_${CTM_APPL}.nc -v\" #> Process Analysis\n setenv CTM_IRR_1 \"$OUTDIR/CCTM_IRR_1_${CTM_APPL}.nc -v\" #> Chem Process Analysis\n setenv CTM_IRR_2 \"$OUTDIR/CCTM_IRR_2_${CTM_APPL}.nc -v\" #> Chem Process Analysis\n setenv CTM_IRR_3 \"$OUTDIR/CCTM_IRR_3_${CTM_APPL}.nc -v\" #> Chem Process Analysis\n setenv CTM_DRY_DEP_MOS \"$OUTDIR/CCTM_DDMOS_${CTM_APPL}.nc -v\" #> Dry Dep\n setenv CTM_DRY_DEP_FST \"$OUTDIR/CCTM_DDFST_${CTM_APPL}.nc -v\" #> Dry Dep\n setenv CTM_DEPV_MOS \"$OUTDIR/CCTM_DEPVFST_${CTM_APPL}.nc -v\" #> Dry Dep Velocity\n setenv CTM_DEPV_FST \"$OUTDIR/CCTM_DEPVMOS_${CTM_APPL}.nc -v\" #> Dry Dep Velocity\n setenv CTM_VDIFF_DIAG \"$OUTDIR/CCTM_VDIFF_DIAG_${CTM_APPL}.nc -v\" #> Vertical Dispersion Diagnostic\n setenv CTM_VSED_DIAG \"$OUTDIR/CCTM_VSED_DIAG_${CTM_APPL}.nc -v\" #> Particle Grav. Settling Velocity\n setenv CTM_AOD_1 \"$OUTDIR/CCTM_AOD_DIAG_${CTM_APPL}.nc -v\" #> Aerosol Optical Depth Diagnostic\n setenv CTM_LTNGDIAG_1 \"$OUTDIR/CCTM_LTNGHRLY_${CTM_APPL}.nc -v\" #> Hourly Avg Lightning NO\n setenv CTM_LTNGDIAG_2 \"$OUTDIR/CCTM_LTNGCOL_${CTM_APPL}.nc -v\" #> Column Total Lightning NO\n\n #> set floor file (neg concs)\n setenv FLOOR_FILE ${OUTDIR}/FLOOR_${CTM_APPL}.txt\n\n #> create output directory\n if ( ! -d \"$OUTDIR\" ) mkdir -p $OUTDIR\n\n #> look for existing log files and output files\n set log_test = `ls CTM_LOG_???.${CTM_APPL}`\n set OUT_FILES = \"${FLOOR_FILE} ${S_CGRID} ${CTM_CONC_1} ${A_CONC_1} ${MEDIA_CONC} \\\n ${CTM_DRY_DEP_1} $CTM_DEPV_DIAG $CTM_PT3D_DIAG $B3GTS_S $SOILOUT $CTM_WET_DEP_1\\\n $CTM_WET_DEP_2 $CTM_VIS_1 $CTM_AVIS_1 $CTM_ELMO_1 $CTM_AELMO_1 \\\n $CTM_RJ_1 $CTM_RJ_2 $CTM_SSEMIS_1 $CTM_DUST_EMIS_1 $CTM_IPR_1 $CTM_IPR_2 \\\n $CTM_IPR_3 $CTM_IRR_1 $CTM_IRR_2 $CTM_IRR_3 $CTM_DRY_DEP_MOS \\\n $CTM_DRY_DEP_FST $CTM_DEPV_MOS $CTM_DEPV_FST $CTM_VDIFF_DIAG $CTM_VSED_DIAG \\\n $CTM_AOD_1 $CTM_LTNGDIAG_1 $CTM_LTNGDIAG_2\"\n set OUT_FILES = `echo $OUT_FILES | sed \"s; -v;;g\" `\n echo $OUT_FILES\n set out_test = `ls $OUT_FILES`\n\n #> delete previous output if requested\n if ( $DISP == 'delete' ) then\n #> remove previous log files\n echo \" ancillary log files being deleted\"\n foreach file ( $log_test )\n echo \" deleting $file\"\n /bin/rm -f $file\n end\n\n #> remove previous output files\n echo \" output files being deleted\"\n foreach file ( $out_test )\n echo \" deleting $file\"\n /bin/rm -f $file\n end\n\n else\n #> remove previous log files\n if ( \"$log_test\" != \"\" ) then\n echo \"*** Logs exist - run ABORTED ***\"\n echo \"*** To overide, set $DISP == delete in run_cctm.csh ***\"\n echo \"*** and these files will be automatically deleted. ***\"\n exit 1\n endif\n\n #> remove previous output files\n if ( \"$out_test\" != \"\" ) then\n echo \"*** Output Files Exist - run will be ABORTED ***\"\n foreach file ( $out_test )\n echo \" cannot delete $file\"\n /bin/rm -f $file\n end\n echo \"*** To overide, set $DISP == delete in run_cctm.csh ***\"\n echo \"*** and these files will be automatically deleted. ***\"\n exit 1\n endif\n endif\n\n #> for the run control ...\n setenv CTM_STDATE $YYYYJJJ\n setenv CTM_STTIME $STTIME\n setenv CTM_RUNLEN $NSTEPS\n setenv CTM_TSTEP $TSTEP\n setenv EMIS_1 $EMISpath/$EMISfile\n setenv INIT_GASC_1 $ICpath/$ICFILE\n setenv INIT_AERO_1 $INIT_GASC_1\n setenv INIT_NONR_1 $INIT_GASC_1\n setenv INIT_TRAC_1 $INIT_GASC_1\n setenv BNDY_GASC_1 $BCpath/$BCFILE\n setenv BNDY_AERO_1 $BNDY_GASC_1\n setenv BNDY_NONR_1 $BNDY_GASC_1\n setenv BNDY_TRAC_1 $BNDY_GASC_1\n setenv OMI $OMIpath/$OMIfile\n setenv OPTICS_DATA $OMIpath/$OPTfile\n #setenv XJ_DATA $JVALpath/$JVALfile\n set TR_DVpath = $METpath\n set TR_DVfile = $MET_CRO_2D\n\n #> species defn & photolysis\n setenv gc_matrix_nml ${NMLpath}/GC_$MECH.nml\n setenv ae_matrix_nml ${NMLpath}/AE_$MECH.nml\n setenv nr_matrix_nml ${NMLpath}/NR_$MECH.nml\n setenv tr_matrix_nml ${NMLpath}/Species_Table_TR_0.nml\n\n #> check for photolysis input data\n setenv CSQY_DATA ${NMLpath}/CSQY_DATA_$MECH\n\n if (! (-e $CSQY_DATA ) ) then\n echo \" $CSQY_DATA not found \"\n exit 1\n endif\n if (! (-e $OPTICS_DATA ) ) then\n echo \" $OPTICS_DATA not found \"\n exit 1\n endif\n\n# ===================================================================\n#> Execution Portion\n# ===================================================================\n\n #> Print attributes of the executable\n ls -l $BLD/$EXEC; size $BLD/$EXEC\n unlimit\n limit\n\n date\n\n #> Executable call for single PE, uncomment to invoke\n # /usr/bin/time $BLD/$EXEC\n\n #> Executable call for multi PE, configure for your system\n # set MPI = /usr/local/intel/impi/3.2.2.006/bin64\n # set MPIRUN = $MPI/mpirun\n time mpirun -r ssh -np $NPROCS $BLD/$EXEC\n\n date\n\n# ===================================================================\n#> Finalize Run for This Day and Loop to Next Day\n# ===================================================================\n\n #> Save Log Files and Move on to Next Simulation Day\n mv CTM_LOG_???.${CTM_APPL} $LOGDIR\n\n #> The next simulation day will, by definition, be a restart\n setenv NEW_START false\n\n #> Increment both Gregorian and Julian Days\n set TODAYG = `date -ud \"${TODAYG}+1days\" +%Y-%m-%d` #> Add a day for tomorrow\n set TODAYJ = `date -ud \"${TODAYG}\" +%Y%j` #> Convert YYYY-MM-DD to YYYYJJJ\n\nend #Loop to the next Simulation Day\n\nexit\n```\n\n## Testing and Distribution of Development Source Code\n\nThe CMAS Center collects, tests, and distributes various operational and development versions of CMAQ through the web site [](http://www.cmaq-model.org/). An archive of official releases (both current and past) and development versions of CMAQ is available to the user community. The CMAQ-MADRID and CMAQ-AMSTERDAM developed by AER, Inc. under funding from the Electric Power Research Institute can be downloaded from this archive. As a benefit to the CMAQ community, CMAS periodically updates its documentation on testing such development code versions to include additional feedback as it becomes available, based on users’ experiences with these versions. Questions or comments about development versions of CMAQ such as CMAQ-MADRID should be directed to the developers at AER. Questions or comments about downloading the source code and associated documentation, and on the software development guidelines, may be directed to [](http://www.cmascenter.org/).\n\nBased on the insights gained from the testing and archiving of a development version of the model such as CMAQ-MADRID, CMAS recom­mends the following steps as the minimum level of coding and testing practices to be adopted by developers wishing to contribute code to the public CMAQ archive:\n\n1. To make the best use of the CMAQ features in developing new code, the developer should review the coding conventions that are provided in the previous sections of this chapter. Also see [the EPA CMAQ Science Document](http://www.epa.gov/asmdnerl/CMAQ/CMAQscienceDoc.html)].\n2. New code should be built using the current operational CMAQ version as a template whenever possible. This will facilitate consistency in coding practices, including naming conventions, in-line documentation, and the specification of compile time versus run-time parameters.\n3. Before submitting source code to the CMAS Center, the developer should verify that the code is consistent with the operational CMAQ version from which it was built, especially in the use of common INCLUDE files (such as horizontal and vertical grid definition files) and run-time parameter settings. Mixing code from different operational versions of the CMAQ model within the same development code version can lead to problems in using the generalized CMAQ scripts.\n4. Comprehensive documentation or other references to peer-reviewed literature should be provided for any new science algorithms include in the source code.\n5. The developer must document the computational platform used for the testing, including type and speed of the processor(s), the compiler version used, and CPU usage. It is recommended that developers use any combination of the above for testing code intended for release through the CMAS Center, to facilitate benchmarking and portability testing by CMAS staff. Any documentation on potential differences in model outputs between different computing platforms would be useful for end-users who may not be able to duplicate the platform on which the model was initially developed and tested. To this end, code testing and documentation of test results by developers, using more than one platform if available, are highly desirable.\n6. The developer should provide all input data for the test case so that interested users may attempt to run the code and reproduce the results on their own platforms.\n7. It is recommended that benchmark results from the testing be provided for at least one 5‑day simulation. Shorter simulations do not provide adequate results from which to discern model trends beyond the spin-up period.\n8. When making incremental changes to model science, the developer should provide documentation of the results, including (a) the results for all variables that show a deviation of greater than 1.0e10‑6 ppm for the gas-phase species or 1.0e10‑4 µg m‑3 for the particulate species from the base model results for the same case, (b) an analysis of what was done to understand these differences, and (c) conclusions of the analysis.\n9. Note that more than one simulation may be necessary to adequately demonstrate seasonal or regional biases, if any, in the results. It is also understood that with models still under development, the analysis may not resolve all differences from the operational model results. It is recommended that these unresolved issues also be documented.\n\nModel developers are also recommended to check the CMAS website to see if there are any additional guidelines that have been recommended since the first set listed above.\n\nReferences for Chapter 11: Code Management\n----------\n\nFine, S. S., W. T. Smith, D. Hwang, T. L. Turner, 1998: Improving model development with configuration management, IEEE Computational Science and Engineering, 5(1, Ja-Mr), 56-65.\n\nJ. Rumbaugh, M. Blaha, W. Premerlani, F. Eddy, and W. Lorensen, 1991: Object-Oriented Modeling and Design, Prentice Hall\n\nYoung, J. O.,'' ''Integration of Science Code into Models-3, 1999. In *Science Algorithms of the EPA Models-3 Community Multiscale Air Quality (CMAQ) Modeling System*, D. W. Byun and J. K. S. Ching (ed.), EPA/600/R-99/030, U. S. EPA, Research Triangle Park, NC.\n" }, { "path": "DOCS/Developers_Guide/readme.pandoc", "content": "pandoc command for creating the PDF\n\npandoc -N --variable geometry:margin=1in --pdf-engine=xelatex --variable version=5.3 --variable title=\"CMAQv5.3 Developer Guide\" --variable subtitle=\"09/10/2019\" -s -o ./PDF/CMAQ_Dev_Guide.pdf CMAQ_Dev_Guide.md Code_Management.md\n" }, { "path": "DOCS/Getting_Started.md", "content": "# Getting Started\n\nThere are many resources available for learning about the CMAQ system. This table will help you find the right starting place for your situation. \n\n|**I don't need to run CMAQ but I want to ...**|**Start with**|\n|:--------------|:----|\n|... learn about CMAQ's purpose, history and design, as well as see a sample of CMAQ applications. | [US EPA CMAQ Website](https://www.epa.gov/cmaq)|\n|... learn more about EPA's Community Regional Atmospheric Chemistry Multiphase Mechanism | [CRACMM Webpage](https://www.epa.gov/cmaq/cracmm), [CRACMM Repository](https://usepa.github.io/CRACMM), and [CRACMM Getting Started Turorial](./Users_Guide/Tutorials/CMAQ_UG_tutorial_CRACMM.md)|\n|... see the model species and chemical reactions in the most recently released version of CMAQ | [Chemical Mechanism Tables][link_chemmech_tables]|\n|... find data files with CMAQ estimates of air pollutants and deposition | [CMAQ Data page](CMAQ_Data.md)|\n|... use the CMAQ logo in a presentation | [CMAQ logo graphics files](Logos/README.md) are in the public domain and available to download|\n|**I'm ready to start running CMAQ and I want to ...**|**Start with**|\n|... find an overview of the CMAQ system including software requirements, inputs, configuration options, outputs, and analysis tools| [CMAQ's comprehensive User's Guide](./Users_Guide/README.md)|\n|... start running the model but I'm am not sure where to start | [User's Guide Chapters 2-5](./Users_Guide/README.md) and the [CMAQ Benchmark Tutorial](./Users_Guide/Tutorials/CMAQ_UG_tutorial_benchmark_cracmm2_stage.md)|\n|... run a new simulation but I need model inputs |[CMAQ Data page](CMAQ_Data.md)|\n|... start running an instrumented model| CMAQ-DDM-3D: [User's Guide Chapter 10](./Users_Guide/CMAQ_UG_ch10_HDDM-3D.md) and the [DDM-3D Benchmark Tutorial](./Users_Guide/Tutorials/CMAQ_UG_tutorial_DDM3D.md)
CMAQ-ISAM: [User's Guide Chapter 11](./Users_Guide/CMAQ_UG_ch11_ISAM.md) and the [ISAM Benchmark Tutorial](./Users_Guide/Tutorials/CMAQ_UG_tutorial_ISAM.md) |\n|... run a coupled model | WRF-CMAQ: [User's Guide Chapter 13](./Users_Guide/CMAQ_UG_ch13_WRF-CMAQ.md) and the [WRF-CMAQ Benchmark Tutorial](./Users_Guide/Tutorials/CMAQ_UG_tutorial_WRF-CMAQ_Benchmark.md)
Global MPAS-CMAQ: [MPAS-CMAQ code repository](https://github.com/USEPA/CMAQ/tree/MPAS_CMAQ) and the [MPAS-CMAQ Benchmark Tutorial](https://github.com/USEPA/CMAQ/blob/MPAS_CMAQ/DOCS/Users_Guide/PDF/MPAS_CMAQ_guide.pdf)|\n|... run CMAQ on a Cloud Service Provider | [CMAS Center tutorial for running CMAQ on Amazon Web Services](https://pcluster-cmaq.readthedocs.io/en/latest/index.html) |\n|**I'm already running CMAQ and I want to ...**|**Start with**|\n|... upgrade to the latest version of CMAQ but I'm not sure how my workflow and results will be impacted | [Release Frequently Asked Questions](./Release_FAQ/README.md) |\n|... see what code changes have happened in a specific section of the model in the last several years | [CMAQ Release Notes](./Release_Notes/README.md)|\n|... see what bugfixes are available for the most recent release | [Change log for CMAQ Bugfix branch](CMAQ-Bugfix-Branch.md)|\n|... run a simulation using CMAQ code from the EPA's EQUATES project | [EQUATES Benchmark GitHub repository](https://github.com/lizadams/EQUATES_BENCHMARK)|\n|**I have a community contribution and I want to ...**|**Start with**|\n|... contribute code to the CMAQ repository | Contacting [the CMAQ Team](mailto:CMAQ_Team@epa.gov) to learn more|\n|... share model data with the CMAQ user community | [Data submission form](https://docs.google.com/forms/d/1lH6UdllyVvD-ISATfPxMqwe3Xr6n2ed6AiGkEspxVag/) for the CMAS Center Data Warehouse| \n\n\n\n\n[link_chemmech_tables]: ../CCTM/src/MECHS/README.md\n\n\n\n[link_chemmech_tables]: https://github.com/USEPA/CMAQ/blob/main/CCTM/src/MECHS/README.md\n" }, { "path": "DOCS/Logos/README.md", "content": "# CMAQ Logo\n\n![CMAQ_Logo_2inch](./CMAQ_Logo_2inch.png)\n\n\nCMAQ logo graphics files are in the public domain and available to download.\n* [2 inch CMAQ logo PNG file](CMAQ_Logo_2inch.png)\n* [CMAQ logo PDF file](CMAQ_Logo.pdf)\n" }, { "path": "DOCS/README.md", "content": "CMAQ Documentation\n==================\n\nThis directory contains documentation for the [Community Multiscale Air Quality (CMAQ)](http://www.epa.gov/cmaq) modeling system.\nWhile documentation is packaged with the code when it is downloaded or cloned, users are encouraged to go [online](https://github.com/USEPA/CMAQ/tree/main/DOCS) to view the latest version.\n\nThe following documents are available for each CMAQ release:\n\n- **[Getting Started](Getting_Started.md)**: A brief introduction for new and returning users.\n\n- **[Release Notes](Release_Notes/README.md)**: Technical notes on the new features and science in this release of CMAQ.\n\n- **[CMAQ Bugfix Branch](CMAQ-Bugfix-Branch.md)**: Updates to the continually evolving \"+\" branch offering the most recent bugfixes or minor updates that improve model stability, efficiency, etc. \n\n- **[CMAQ User's Guide](Users_Guide/README.md)**: Instructions on how to set up and run the model and information on CMAQ's different science options and instrumented versions.\n\n- **[Tutorials](Users_Guide/Tutorials/README.md)**: A series of short tutorials provide practical examples of how to set up and run CMAQ, exercise different features in the software, and better understand the software system.\n\n- **[CMAQ Data](CMAQ_Data.md)**: Links to CMAQ test case data for the latest release, CMAQ-ready input files for multiple domains/years, and CMAQ estimates of air pollutants and deposition. \n\n- **[Chemical Mechanism Tables](../CCTM/src/MECHS/README.md)**: Tables of model species and chemical reactions in each chemical mechanism available in the most recently released version of CMAQ.\n\n- **[Developers' Guide](Developers_Guide/CMAQ_Dev_Guide.md)**: A guide to version control practices and expectations adopted by the CMAQ development team and enforced on itself and any other collaborators who wish to contribute code.\n\n- **[CMAQ logos](Logos)**: .png and .pdf files of the CMAQ logo. \n\n\n" }, { "path": "DOCS/Release_FAQ/CMAQv5.4-Series-FAQ.md", "content": "# Frequently Asked Questions for Upgrading to CMAQ Version 5.4\n\n## Table of Contents:\n* [Do I need to update from v5.3.3 to v5.4?](#why_update_v533_v54)\n* [What do I need to do to update from v5.3.3 to v5.4?](#update_v533_v54)\n * [What differences should I expect in the required model input files?](#diff_v533_v54_input_files)\n * [What differences should I expect in my model output files?](#diff_v533_v54_ouput_files)\n* [What differences should I expect in my model results with v5.4 compared to v5.3.3?](#diff_v533_v54_model_results)\n* [Additional FAQ](#additional_faq)\n* [Technical support for CMAQ](#tech_support)\n\n\n## Do I need to update from v5.3.3 to v5.4?\nCMAQv5.4 is a major update from version 5.3.3 including many scientific enhancements and new features. See the v5.4 Release Notes for a description of each change. \n\n#### Instrumented Models\n* CMAQ-ISAM now includes the added flexibility for the user to define how secondarily formed gaseous species (inorganic and organic) are assigned to sources of parent reactants. In addition, several tagclasses were added to CMAQ-ISAM to track the source contributions for HAP. [CMAQ-ISAM Release Notes](../Release_Notes/CMAQ-Release-Notes:-Instrumented-Models:-CMAQ-ISAM.md#cmaq-isam-version-54) \n* CMAQ-DDM-3D has been fully integrated into the base model. There is no longer a separate repository, and the sensitivity calculations are accessed through compiler flags set in the build script and by completing the appropriate sections of the run script. (*Note that DDM3D is not compatible with the STAGE deposition model in CMAQv5.5.*) [CMAQ-DDM-3D Release Notes](../Release_Notes/CMAQ-Release-Notes:-Instrumented-Models:-CMAQ-DDM3D.md#cmaq-ddm-3d-version-54) \n#### WRF-CMAQ Coupled Model \n* The code used to couple the WRFv4.4-CMAQv5.4 models is now released as part of the CMAQ Github Repository. Users can construct the coupled model with any version of WRF (v4.4 or later) and any version of CMAQ (v5.4 or later). A bug was identified within the CMAQ to WRF coupling routine in the CMAQv5.3 series. **Users of WRF-CMAQ are strongly encouraged to update to CMAQv5.4. See the [WRF-CMAQ Release Notes](../Release_Notes/CMAQ-Release-Notes:-WRF-CMAQ-Coupled-Model.md#new-wrf-cmaq-model-using-wrfv44-and-cmaqv54) for more information.** \n#### Chemistry\n* Updates to three versions of the Carbon Bond (CB6) chemical mechanisms as well as bug fix updates to SAPRC and RACM: \n * [CB6r5 Release Notes (including updates to halogen and DMS chemistry)](../Release_Notes/CMAQ-Release-Notes:-Chemistry:-Carbon-Bond-6-Mechanism-(CB6).md#carbon-bond-chemical-mechanism-version-6-release-5--cb6r5) \n * [CB6r5m (detailed marine halogen chemistry mechanism) Release Note](../Release_Notes/CMAQ-Release-Notes:-Chemistry:-Carbon-Bond-6-Mechanism-(CB6)-with-Detailed-Marine-Halogen-Chemistry.md#detailed-halogen-chemistry-update) \n * [CB6r5hap (hazardous air pollutants mechanism) Release Note](../Release_Notes/CMAQ-Release-Notes:-Chemistry:-Carbon-Bond-6-Mechanism-(CB6)-with-Hazardous-Air-Pollutants.md#multi-pollutant-version-of-the-cb6r5hap_ae7_aq-mechanism) \n * [State Air Pollution Research Center (SAPRC) Release Note](../Release_Notes/CMAQ-Release-Notes:-Chemistry:-State-Air-Pollution-Research-Center-(SAPRC).md#removal-of-saprc07tic_ae6i_aq-and-saprc07tic_ae6i_aqkmti-mechanisms) \n * [Regional and Atmospheric Chemistry (RACM) Release Notes](../Release_Notes/CMAQ-Release-Notes:-Chemistry:-Regional-Atmospheric-Chemistry-Mechanism-(RACM).md#bug-fixes-to-regional-atmospheric-chemistry-mechanism-version-2-racm2) \n* The Community Regional Atmospheric Chemistry Multiphase Mechanism (CRACMM) is a new chemical mechanism available for the first time in CMAQv5.4. More information about the motivation of CRACMM is available on an [EPA Fact Sheet](https://www.epa.gov/cmaq/cmaq-fact-sheets). CRACMM includes new parameterizations for both the gas and particle species. [CRACMM Release Note](../Release_Notes/CMAQ-Release-Notes:-Chemistry:-Community-Regional-Atmospheric-Chemistry-Multiphase-Mechanism-(CRACMM).md#the-community-regional-atmospheric-chemistry-multiphase-mechanism-cracmm-version-10)\n* Community partners from Tsinghua University have contributed a research-grade chemical mechanism that implements the Two-Dimensional Volatility Basis Set (2D-VBS) for SOA formation and aging. It is built upon the SAPRC07 gas-phase mechanism and is available from the Github repo via a dedicated branch [('2DVBS')](https://github.com/USEPA/CMAQ/tree/2DVBS). \n* Multiple bug fixes and science updates to aerosol dynamics.\n * New two-moment option for particle coagulation. [Release Note](../Release_Notes/CMAQ-Release-Notes:-Chemistry:-Aerosol-Dynamics.md#two-moment-option-for-particle-coagulation)\n * Bug fix to implementation of sulfuric acid mass transfer from the gas to particle phase in the VOLINORG subroutine. [Release Note](../Release_Notes/CMAQ-Release-Notes:-Chemistry:-Aerosol-Dynamics.md#sulfuric-acid-conservation-in-volinorg)\n * Bug fix and science update to the aero_check_icbc routine in AERO_DATA.F which checks to make sure that the total aerosol mass, number and surface area are above zero and that they combine to give appropriate modal diameter and standard deviation. [Release Note](../Release_Notes/CMAQ-Release-Notes:-Chemistry:-Aerosol-Dynamics.md#update-aerosol-size-distribution-check-for-ics-and-bcs) \n * Reclassification of all SOA species as 'dry' aerosol. [Release Note](../Release_Notes/CMAQ-Release-Notes:-Chemistry:-Aerosol-Dynamics.md#reclassify-all-soa-species-as-dry-aerosol)\n * Simplification of the aerosol chemical namelist. [Release Note](../Release_Notes/CMAQ-Release-Notes:-Chemistry:-Aerosol-Dynamics.md#simplify-aerosol-chemical-namelist)\n* Updates to the Euler Backward Iterative (EBI) gas-phase chemistry solver. [EBI Release Note](../Release_Notes/CMAQ-Release-Notes:-Chemistry:-Gas-Phase-Chem-Solvers.md#ebi-solver-update)\n#### Dry Deposition/Air Surface Exchange\n* New aerosol deposition model implemented in the M3Dry option for dry deposition. [M3DRY Release Note](../Release_Notes/CMAQ-Release-Notes:-Dry-Deposition-Air-Surface-Exchange:-M3DRY.md#new-aerosol-deposition-model-aero_depv)\n* Structural and aerosol dry deposition updates to the STAGE dry deposition option. [STAGE Release Notes](../Release_Notes/CMAQ-Release-Notes:-Dry-Deposition-Air-Surface-Exchange:-Surface-Tiled-Aerosol-and-Gaseous-Exchange-(STAGE).md#land-use-and-deposition-species-mapping)\n#### Emissions\n* Restructuring and other updates to functionality and features of the Detailed Emissions Scaling Isolation and Diagnostics Module. [DESID Release Note](../Release_Notes/CMAQ-Release-Notes:-Emissions-Updates:-Detailed-Emissions-Scaling-Isolation-and-Diagnostics-Module-(DESID).md#restructuring-and-miscellaneous-updates-to-the-desid-interface-and-processing-features) \n* The Biogenic Emission Inventory System (BEIS) has been updated with new, highly detailed land parameters from the Biogenic Emissions Landuse Database (BELD) version 6. [BEIS4/BELD6 Release Note](../Release_Notes/CMAQ-Release-Notes:-Emissions-Updates:-BEIS-Biogenic-Emissions.md#beis-updates)\n* New biogenic emissions option, the Model of Emissions of Gases and Aerosols from Nature (MEGAN) allows for estimation of biogenic emissions during the CMAQ simulation for any spatial domain. [MEGAN Release Note](../Release_Notes/CMAQ-Release-Notes:-Emissions-Updates:-Model-of-Emissions-of-Gases-and-Aerosols-from-Nature-(MEGAN)-Biogenic-Emissions.md#new-biogenic-emissions-option-the-model-of-emissions-of-gases-and-aerosols-from-nature-megan)\n* The windblown dust routine has been streamlined. In addition a bug fix has a substantial impact on estimated dust emissions. [Windblown Dust Release Note](../Release_Notes/CMAQ-Release-Notes:-Emissions-Updates:-Wind-Blown-Dust-Emissions.md#windblown-dust-emissions)\n* A minor bug fix to the time steps of lightning NOx diagnostic files. The change in the format of the diagnostic file has no impact on model results. [Lightning Emissions Release Note](../Release_Notes/CMAQ-Release-Notes:-Emissions-Updates:-Lightning-Emissions.md#lightning-emissions)\n#### Process Analysis\n* A new Budget Reporting Tool is available to quantify the impact of individual model processes on each atmospheric species across the modeling domain. [Budget Reporting Tool Release Notes](../Release_Notes/CMAQ-Release-Notes:-Process-Analysis-&-Sulfur-Tracking-Model-(STM).md#introduction-of-budget-reporting-tool)\n* A bug fix resolves the omission of organic condensable vapors from aerosol process analysis which impacts use of ISAM and the Budget Reporting Tool. [Process Analysis Bug Fix Release Note](../Release_Notes/CMAQ-Release-Notes:-Process-Analysis-&-Sulfur-Tracking-Model-(STM).md#resolve-omission-of-organic-condensable-vapors-from-aerosol-process-analysis)\n#### Structural Improvements\n* Improvement of Logfile output and error reporting. [Logfile Release Note](../Release_Notes/CMAQ-Release-Notes:-Structural-Improvements.md#improvement-of-logfile-output-and-error-reporting)\n#### Diagnostic Options\n* Introduction of the Explicit and Lumped air quality Model Output module (ELMO) [ELMO Release Note](../Release_Notes/CMAQ-Release-Notes:-Diagnostic-Options.md#introduction-of-the-explicit-and-lumped-air-quality-model-output-module-elmo)\n#### Pre-processors and Utilities\n* A bug fix and script enhancement was made to the create_omi tool which supports the calculation of photolysis rates during the CMAQ simulation. [Create OMI Release Note](../Release_Notes/CMAQ-Release-Notes:-Preprocessors.md#create-omi)\n* A new Python tool, DMSCHLO, to supplement the 'Ocean' file with temporal dimethyl sulfide (DMS) and chlorophyll-a (CHLO) concentrations to support CMAQ chemical mechanisms that include DMS and halogen chemistry. More information on the updated Ocean file is provided below. [DMSCHLO Release Note](../Release_Notes/CMAQ-Release-Notes:-PYTOOLS.md#dmschlo)\n#### Post-processors\n* Removal of appendwrf, bldoverlay and blockextract post-processing tools.\n* Clarification of W126 Daily Index Computation and Minor Code Corrections in the hr2day post-processing tool. [HR2DAY Release Note](../Release_Notes/CMAQ-Release-Notes:-Postprocessors.md#clarification-of-w126-daily-index-computation-and-minor-code-corrections)\n#### Utilities\n* Minor bug fix to create_ebi and inline_phot_prerproc to avoid problems on Window and Macintosh Operating Systems. [Utilities Bug Fix Release Note](../Release_Notes/CMAQ-Release-Notes:-Utilities.md#remove-conflicting-filenames-on-window-and-macintosh-operating-systems)\n* Introduction of the Autochem utility script that processes new chemical mechanism files, including EBI files if necessary, for user-defined mechanisms when mech.def and chemical namelist files are provided. [Autochem Release Note](../Release_Notes/CMAQ-Release-Notes:-Utilities.md#autochem)\n* New output files and runtime options for the chemical mechanism processor (CHEMMECH) which allows altering a photochemical mechanisms or using a different mechanism in the CMAQ model. [CHEMMECH Release Note](../Release_Notes/CMAQ-Release-Notes:-Utilities.md#new-output-files-and-runtime-options-for-chemmech)\n\n\n## What do I need to do to update from v5.3.3 to v5.4?\n\n\n### What differences should I expect in the required model input files?\n* The CMAQ sea spray emissions module requires the input of an ocean mask file (OCEAN) containing two variables to specify the fractional [0-1] coverage in each model grid cell allocated to open ocean (OPEN) or surf zone (SURF). Two new mechanisms in CMAQv5.4, cb6r5_ae7 and cb6r5m_ae7, require additional variables to be added to the OCEAN file. See the [v5.4 Release Notes](../Release_Notes/CMAQ-Release-Notes:-Chemistry) and the [CMAQ User's Guide ocean file tutorial](../Users_Guide/Tutorials/CMAQ_UG_tutorial_oceanfile.md) for further information. \n\n\n* The information needed to configure DESID that was contained in a single mechanism-dependent \"EmissCtrl\" namelist file in CMAQ 5.3 is contained in three separate namelist files in CMAQ 5.4. The new mechanism-dependent namelist file CMAQ_Control_DESID_${mechanism} controls the mapping of emitted species to model species and applies any emission scaling rules desired by the user. The new mechanism-independent namelist file CMAQ_Control_DESID controls DESID behavior for size distributions, definitions of regions, region families, and stream families, the optional emission area normalization feature, and the configuration of optional diagnostic emission output files. The CMAQ_Control_Misc namelist file can be used to define chemical families referenced in the CMAQ_Control_DESID_${mechanism} file and also contains information controlling the behavior of ELMO and the new budget tool. Further documentation can be found in [Appendix B of the Users Guide](../Users_Guide/Appendix/CMAQ_UG_appendixB_emissions_control.md). Like the single mechanism-dependent \"EmissCtrl\" namelist file in CMAQ 5.3, reviewing and potentially updating these files should be thought of as an integral parts of configuring CCTM for each new application, just like reviewing and updating the run script.\n\n* A new CMAQ_Control_STAGE namelist file allows users to add deposition processes to any modeled species without the need to recompile CMAQ. See [Chapter 6 of the CMAQ User's Guide](../Users_Guide/CMAQ_UG_ch06_model_configuration_options.md#682-dry-depostion---stage) for more information. \n\n* CRACMM requires specific emissions. More information on Getting Started with CRACMM is available in [a tutorial](../Users_Guide/Tutorials/CMAQ_UG_tutorial_CRACMM.md).\n\n* The option of using BELD3 as a windblown dust input has been removed. BELD3 is outdated and in CMAQ 5.3 the windblown dust module did not support BELD4 or BELD5. Beginning in CMAQ 5.4 the necessary land use information for windblown dust is taken from MCIP input files or WRF. For CMAQ 5.4 we strongly recommend the use of WRFv4.1+ and the PX LSM when enabling windblown dust emissions.\n\n* The new CCTM online MEGAN biogenic emissions option requires a number of additional input files that need to be generated by the MEGAN preprocessor code. For additional information on these files, see [Chapter 4 of the Users Guide](../Users_Guide/CMAQ_UG_ch04_model_inputs.md). \n\n\n### What differences should I expect in my model output files?\n* Two new key output files are generated by the Explicit and Lumped CMAQ Model Output (ELMO) Module. These files are prefixed with CCTM_ELMO and CCTM_AELMO for instantaneous and average files, respectively. The new ELMO files allow users to directly output CMAQ scalars (e.g. O3, SO2, NO, ASO4J, AECJ, etc.) and aggregates (e.g. PM25, PMF_OA, etc.). The existing concentration output files (CCTM_CONC and CCTM_ACONC) are still provided to support your existing workflows, but they will be deprecated and removed in future releases. HEA\nPlease see [Chapter 7](../Users_Guide/CMAQ_UG_ch07_model_outputs.md#ELMO) and [Appendix F](../Users_Guide/Appendix/CMAQ_UG_appendixF_elmo_output.md) of the CMAQ User's Guide for detailed information.\n\n* A new ascii file for output of Budget information (CCTM_BUDGET_xxx.txt) reports domain-wide process magnitudes. The destination folder must be specified in the RunScript with $OUTDIR or the file will be written to the root directory. Please see [Chapter 9 of the CMAQ User's Guide](../Users_Guide/CMAQ_UG_ch09_process_analysis.md) for more information on the Budget tool. \n\n* The SOILOUT output file for the CCTM online BEIS biogenic emissions option has been renamed to CCTM_BSOILOUT_\\*. The new CCTM online MEGAN biogenic emissions option SOILOUT file is called CCTM_MSOILOUT_\\*. When using the the BDSNP option in MEGAN (i.e., environment variable BDSNP_MEGAN set to Y) there is an additional output file called CCTM_BDNSP_\\*. Please see [Chapter 7 of the CMAQ User's Guide](../Users_Guide/CMAQ_UG_ch07_model_outputs.md#soilout) for more information on BEIS and MEGAN output files. \n\n\n## What differences should I expect in my model results with v5.4 compared to v5.3.3?\nThe following summary is based on our testing of CMAQv5.3.3 and CMAQv5.4 base configurations and two CMAQv5.4 science options (MEGAN inline biogenic emissions and CRACMM1 chemical mechanism) using annual 2018 simulations performed over both the northern hemisphere (108 km horizontal grid spacing, 44 vertical layers) and the CONUS (12 km horizontal grid resolution, 35 vertical layers). The 108 km simulations were used to generate lateral boundary conditions for the 12 km simulations, with science options (except chemical mechanisms) matching across both domains. All CMAQv5.4 108 km simulations used the cb6r5m_ae7_aq chemical mechanism that includes a detailed representation of halogen chemistry while the 12 km simulations used either the cb6r5_ae7_aq (simplified halogen chemistry) or cracmm1 chemical mechanism. CMAQv5.3 simulations used cb6r3m_ae7_kmtbr for the 108 km domain and cb6r3_ae7_aq for the 12km domain. The updates made to the representation of aerosol dry deposition in CMAQv5.4 differ markedly between the M3Dry and STAGE dry deposition schemes. CMAQv5.4 M3Dry updates are based on on Pleim et al., 2022 ([see M3DRY release notes](../Release_Notes/CMAQ-Release-Notes:-Dry-Deposition-Air-Surface-Exchange:-M3DRY.md#new-aerosol-deposition-model-aero_depv)) and STAGE updates in its default configuration are based on Emerson et al., 2020 ([see STAGE release notes](../Release_Notes/CMAQ-Release-Notes:-Dry-Deposition-Air-Surface-Exchange:-Surface-Tiled-Aerosol-and-Gaseous-Exchange-(STAGE))). Because of these differences, the impacts of switching from CMAQv5.3.3 to CMAQv5.4 differ depending on whether users select the M3Dry or STAGE dry deposition scheme. Therefore, all simulations comparing the base configurations and the MEGAN and CRACMM1 science options available in CMAQv5.4 were performed for both M3Dry and STAGE and results for both schemes are summarized below.\n\n#### Natural Emissions\n* BEIS inline biogenic VOC and soil NO emissions: The update from BEIS3/BELD5 used in CMAQv5.3.3 to BEIS4/BELD6 used in CMAQv5.4 to calculate biogenic VOC and soil NO inline in CCTM caused the following changes to annual domain-total emissions in our 2018 CONUS simulations: isoprene emissions changed from 13.8 to 16.9 Tg, monoterpene emissions changed from 4.3 to 4.0 Tg, sesquiterpene emissions changed from 0.6 Tg to 0.5 Tg, methanol emissions changed from 1.3 to 1.4 Tg, CO emissions changed from 5.3 to 4.2 Tg, and soil NO emissions remained essentially unchanged at 1.1 Tg.\n* MEGAN3.2 inline biogenic VOC and soil NO emissions: In our 2018 CONUS simulations with CMAQv5.4, using MEGAN3.2 with its default Yienger-Levy option to calculate biogenic VOC and soil NO inline in CCTM caused the following changes to annual domain-total emissions compared to using BEIS4/BELD6 to calculate biogenic VOC and soil NO inline in CCTM: isoprene emissions changed from 16.9 to 18.2 Tg, monoterpene emissions changed from to 4.0 to 8.9 Tg, sesquiterpene emissions changed from 0.5 to 1.2 Tg, methanol emissions changed from 2.3 to 4.0 Tg, CO emissions changed from 4.2 to 2.2 Tg, and soil NO emissions changed from 1.1 to 0.9 Tg. In our 2018 northern hemispheric simulations with CMAQv5.4, using MEGAN3.2 with its default Yienger-Levy option to calculate biogenic VOC and soil NO inline in CCTM caused the following changes to annual domain-total emissions compared to using offline biogenic VOC and soil NO emissions from CAMS: isoprene emissions changed from 254 Tg to 230 Tg, monoterpene emissions changed from 38 Tg to 121 Tg, sesquiterpene emissions changed from 10.8 Tg to 17.3 Tg, methanol emissions changed from 71.0 to 43.6 Tg, CO emissions changed from 46.5 to 24.2 Tg, and soil NO emissions changed from 10.8 Tg to 6.1 Tg. When using the MEGAN3.2 BDSNP option instead of the Yienger-Levy option to estimate soil NO emissions for our 2018 northern hemisphere simulations, the annual domain-total soil NO emissions were 20.9 Tg.\n* Windblown dust emission: the impacts of fixing a bug in soil indexing when using WRFv4+ runs with the Pleim-Xiu land-surface model as input to the CCTM inline windblown dust emissions scheme vary spatially and temporally. The net impact on our 108 km hemispheric domain was an increase of domain-total annual fine PM emissions from 36 Tg to 98 Tg. We did not enable the windblown dust option in our CMAQv5.4 testing simulations over the 12 km CONUS domain.\n\n### Ozone\n* Widespread increases in seasonal mean ozone from CMAQv5.3.3 to CMAQv5.4 in the base configuration over most of the domain. Increases range from 1-4 ppbV during winter, 1-7 ppbV during spring, and 1-2.5 ppbV during fall. During summer, increases of 1-2.5 ppbV are more localized over the Eastern U.S. and northwestern portion of the CONUS modeling domain.\n* Much of this increase is due to updates of the detailed halogen chemistry used for the 108 km hemispheric domain that led to less ozone depletion by halogens outside of the summer season. Therefore, the largest ozone increases in the 12 km CONUS domain are seen in regions most directly affected by ozone inflow from the boundaries, i.e. the western and northern portions of the modeling domain. Separate incremental tests performed over shorter time periods for two other science updates in CMAQv5.4 (BEIS4 inline biogenic emissions with BELD6 land use and chemical mechanism update from cb6r3_ae7_aq to cb6r5_ae7_aq) showed that these updates had only smaller and more localized impacts on ozone mixing ratios.\n* Using CMAQv5.4 inline MEGAN to estimate biogenic VOC and soil NO (Yienger-Levy approach) decreases ozone by 1 – 7 ppbV compared to the CMAQv5.4 base configuration (offline CAMS for the 108 km domain and inline BEIS4 for the 12 km domain). The decrease is most pronounced during summer and fall.\n* Using CRACMM1 instead of cb6r5_ae7 for the CMAQv5.4 caused changes of less than +/- 0.8 ppbV during spring, fall, and winter over almost all land grid cells in the modeling domain. During summer, small increases ranging from 1 – 2.5 ppbV were found over the southwestern, central, northeastern, and coastal southeastern portions of the modeling domain.\n* All of the ozone comparisons discussed above (CMAQv5.4 vs. CMAQv5.3.3 base configuration and CMAQv5.4 MEGAN and CRACMM1 science options vs. CMAQv5.4 base configuration) generally hold true for both the M3Dry and STAGE dry deposition schemes. \n* **Summary**: Large-scale ozone estimates increase by 1-7 ppbV during non-summer seasons in CMAQv5.4 compared to CMAQv5.3.3 when using detailed halogen chemistry. Using inline MEGAN on both the 108 km and 12 km domains decreases ozone by 1-7 ppbV relative to the CMAQv5.4 base configuration for biogenic VOC and soil NO, depending on season and region. Using CRACMM1 on the 12 km domain causes little change in seasonal mean ozone relative to the CMAQv5.4 base configuration, with only smaller increases of 1 – 2.5 ppbV during summertime over portions of the modeling domain\n\n### PM2.5\n* PM2.5 mass and species concentrations were affected by several updates in CMAQv5.4 relative to CMAQv5.3.3: updates to aerosol dry deposition in both M3Dry and STAGE (though updates differ between the schemes), increased wind-blown dust emissions causing increased long-range transport in the 108 km domain and inflow to the 12 km domain, increased isoprene and decreased monoterpene emissions from BEIS4/BELD6, and the addition of DMS in cb6r5. No annual unit tests were performed to quantify the impacts of each individual factor on seasonal average PM2.5 concentrations.\n* In our 12 km simulations with the M3Dry dry deposition option, there were wide-spread decreases of total PM2.5 from CMAQv5.3.3 to CMAQv5.4 in the portions of the domain with the highest vegetation coverage, i.e. the northwestern, northern, and eastern portions of the domain. This suggests that increased aerosol dry deposition dominated over other effects in these regions. Decreases in seasonal average concentrations reached 1-2 µg/m3 during summer and were smaller during other seasons. The only exception to this general pattern of PM2.5 decreases was springtime over the Southwestern U.S. where the effects of the increased inflow appeared to outweigh the effects of the increased aerosol dry deposition and seasonal mean PM2.5 increased by about 0.5 µg/m3 in CMAQv5.4\n* In our 12 km simulations with the STAGE dry deposition option, there were regions of both increases and decreases of 0.5 – 1 µg/m3 in all seasons going from CMAQv5.3.3 to CMAQv5.4 except for winter when there were only limited regions with small increases. The largest decreases occurred over the northwestern and northern portions of the modeling domain as well as regions along the Gulf Coast. The largest increases occurred over the Southwestern region during spring and parts of the Southeast and Midwest during summer.\n* Using CMAQv5.4 inline MEGAN to estimate biogenic VOC and soil NO (Yienger-Levy approach) increases summertime organic aerosol mass by 1-2 µg/m3 over the Southeastern U.S. compared to the CMAQv5.4 base configuration (offline CAMS for the 108 km domain and inline BEIS4 for the 12 km domain), likely driven by the significant increase in estimated monoterpene emissions. The simulated organic aerosol and total PM2.5 increases are larger in forested equatorial regions of the 108 km domain.\n* Using CRACMM1 instead of cb6r5_ae7 for the CMAQv5.4 simulations caused small but fairly wide-spread PM2.5 increases of about 0.5 µg/m3 in most seasons for both M3Dry and STAGE, with hardly any regions showing decreases of more than 0.25 µg/m3 in any season. \n* **Summary**: When using M3Dry, there were wide-spread decreases of total PM2.5 from CMAQv5.3.3 to CMAQv5.4, with the largest decreases (1-2 µg/m3) occuring during summer over vegetated regions. When using STAGE, there were regions of both increases and decreases of 0.5 – 1 µg/m3 in all seasons except winter going from CMAQv5.3.3 to CMAQv5.4. Using CMAQv5.4 inline MEGAN to estimate biogenic VOC and soil NO (Yienger-Levy approach) increases summertime organic aerosol mass by 1-2 µg/m3 over the Southeastern U.S. compared to the CMAQv5.4 base configuration. Using CRACMM1 instead of cb6r5_ae7 for the CMAQv5.4 simulations caused small but fairly wide-spread PM2.5 increases of about 0.5 µg/m3 in most seasons using both M3Dry and STAGE.\n\n### Deposition\n* When using M3Dry, total N dry deposition increased by about 10-40% from CMAQv5.3.3 to CMAQv5.4 over large portions of the domain during all seasons. Conversely, total N wet deposition decreased by 10-20% over large portions of the domain during all seasons. Combined wet+dry deposition of total N showed more limited changes, with changes of less than +/-5% across a large portion of the domain in all seasons. Increases of 10-30% in combined wet+dry deposition of total N were seen for limited areas in the western and northern portions of the modeling domain. Results for total S deposition were qualitatively similar to the results for total N deposition (increases in dry deposition, decreases in wet deposition, and less pronounced and more variable changes for combined wet+dry deposition). The contrast between dry and wet deposition is consistent with the notion of increased aerosol dry deposition velocities in M3Dry being the main driver of these changes, with increased dry deposition velocities increasing dry deposition fluxes and in turn reducing ambient concentrations and aerosol mass available for wet deposition through scavenging.\n* When using STAGE, the changes in wet, dry, and combined wet+dry deposition of total N and S going from CMAQv5.3.3 to CMAQv5.4 show more variability across regions and seasons, with all of these variables showing both increases and decreases in all seasons. Moreover, some regions and seasons experienced increases in dry, wet, and wet+dry N and S deposition, indicating that changes in these deposition fluxes were not always dominated by changes to aerosol dry deposition velocities. \n* Using CMAQv5.4 inline MEGAN to estimate biogenic VOC and soil NO (Yienger-Levy approach) instead of CAMS (108 km domain) or CMAQv5.4 inline BEIS (12 km domain) did not have any significant impacts on simulated wet, dry, and combined wet+dry deposition of total N and S.\n* Using CRACMM1 instead of cb6r5_ae7 for the CMAQv5.4 simulations caused relatively small (<15%) decreases in dry, wet, and wet+dry N deposition especially during winter, changes of generally less than +/-5% for dry S deposition, and more widespread deceases of 10-20% for wet and wet+dry S deposition over the Eastern U.S during spring, fall, and especially summer. \n* **Summary**: For M3Dry, going from CMAQv5.3.3 to CMAQv5.4 leads to consistent increases of 10-40% in total N dry deposition, general decreases of 10-20% in total N wet deposition, and more limited and variable changes in combined wet+dry total N deposition, with qualitatively similar changes for total S deposition. For STAGE, changes in all variables show more variability across regions and seasons. The use of CRACMM1 results in small decreases in N deposition especially during winter and 10-20% decreases for wet and wet+dry S deposition over the Eastern U.S. especially during summer.\n\n\n## Additional FAQ\nA more general list of Frequent CMAQ Questions can be found on our website: https://www.epa.gov/cmaq/frequent-cmaq-questions\n\n\n## Technical support for CMAQ\nTechnical support for CMAQ, including questions about model inputs, downloading, compiling, and running the model, \nand pre- and post-processing utilities, should be directed to the [CMAS Center User Forum](https://forum.cmascenter.org/). \n [**Please read and follow these steps**](https://forum.cmascenter.org/t/please-read-before-posting/1321) prior to submitting new questions to the User Forum.\n" }, { "path": "DOCS/Release_FAQ/CMAQv5.5-Series-FAQ.md", "content": "# Frequently Asked Questions for Upgrading to CMAQ Version 5.5\n\n## Table of Contents:\n* [Do I need to update from v5.4 to v5.5?](#why_update_v54_v55)\n* [What do I need to do to update from v5.4 to v5.5?](#update_v54_v55)\n * [What differences should I expect in the required model input files?](#diff_v54_v55_input_files)\n * [What differences should I expect in my model output files?](#diff_v54_v55_ouput_files)\n* [What differences should I expect in my model results with v5.5 compared to v5.4?](#diff_v54_v55_model_results)\n* [Are there new benchmark data and documentation updates?](#data_and_docs)\n* [Community contributions](#community_contributions)\n* [How to cite CMAQ](#how_to_cite)\n* [Additional FAQ](#additional_faq)\n* [Technical support for CMAQ](#tech_support)\n\n\n## Do I need to update from v5.4 to v5.5?\nCMAQv5.5 includes many scientific enhancements and new features that will benefit certain applications. See the v5.5 Release Notes for a description of each change. \n\n#### Instrumented Models\n* Several updates were incorporated in CMAQ-ISAM: (1) includes the capability to quantify source contributions to total secondary organic aerosol (SOA) and individual species; (2) accounts for the loss of aerosol mass from gravitational settling was incorporated, so that the tagged and bulk concentrations matched more precisely; (3) incorporates a tag to attribute O3 to be of “stratospheric origin” based on the PV-scaling methodology; (4) addressed instabilities associated with mass distribution between tags immediately after cloud chemistry. See: [CMAQ-ISAM Release Notes](../Release_Notes/CMAQ-Release-Notes:-Instrumented-Models:-CMAQ-ISAM.md) for more information. \n\n* In CMAQ-DDM: (1) enabled estimation of sensitivity of O3 to PV-O3 specification; (2) corrected calculation of second-order sensitivity in chemistry routines; (3) corrected error that caused incorrect dry deposition sensitivity in output. See [CMAQ-DDM Release Notes](../Release_Notes/CMAQ-Release-Notes:-Instrumented-Models:-CMAQ-DDM3D.md#cmaq-hddm-3d-second-order-sensitivity-fix) for more information. *Note that DDM-3D is not compatible with the STAGE deposition model in CMAQv5.5.*\n\n\n#### On-line coupling of CMAQ with meteorological models \n* CMAQv5.5 is the first public release that allows coupling of CMAQ with the Model for Prediction Across Scales (MPAS). Please see the [MPAS-CMAQ release note](../Release_Notes/CMAQ-Release-Notes:-MPAS-CMAQ-Coupled-Model.md) to learn more.\n\n* A bug was identified within the CMAQ to WRF coupling routine in the CMAQv5.4 series; layer heights were incorrectly being assigned to wind speed in the plume rise calculations leading to erroneous allocation of point source emissions. Users of WRF-CMAQ are strongly encouraged to update to CMAQv5.5. See the [WRF-CMAQ Release Notes](../Release_Notes/CMAQ-Release-Notes:-WRF-CMAQ-Coupled-Model.md#new-wrf-cmaq-model-using-wrfv44-and-cmaqv54) for more information.\n\n\n#### Chemistry\n* In the Community Regional Atmospheric Chemistry Multiphase Mechanism version 1 (CRACMM1), the rate of sulfate catalyzed IEPOX was updated. The impact is to increase sulfate (as less sulfate is taken up as organosulfate) and to decrease organic aerosol. If you are interested in learning more, please see the [CRACMM1 release note](../Release_Notes/CMAQ-Release-Notes:-Chemistry:-Community-Regional-Atmospheric-Chemistry-Multiphase-Mechanism-(CRACMM).md#bug-fixes-for-cracmm1-iepox-uptake-rate).\n\n* CMAQv5.5 introduces CRACMM version 2. CRACMM2 includes several updates to CRACMM1. Many updates are intended to improve the representation of secondary formaldehyde (HCHO) in CRACMM. These include the incorporation of the AMORE v1.2 isoprene condensation into the primary CRACMM mechanism, updates to HCHO yields from monoterpenes, and the addition of styrene as a new explicit species. Additional updates include changes to monoterpene nitrates that affect SOA formation and NOx recycling, the inclusion of emitted methane (ECH4), heterogeneous uptake of HO2 and NO3 radicals, and changes in how emissions of certain aromatic species are mapped to CRACMM species. If you are interested in learning more, please see the [CRACMM2 release note](../Release_Notes/CMAQ-Release-Notes:-Chemistry:-Community-Regional-Atmospheric-Chemistry-Multiphase-Mechanism-(CRACMM).md#updated-mechanism-cracmm2).\n\n* The photolysis module was updated to correct an error in calculation of cloud optical depth for grid cells with sub-grid/convective clouds. The net impact is to increase the attenuation of photolysis frequencies under cloudy conditions. Please see the [photolysis release note](../Release_Notes/CMAQ-Release-Notes:-Chemistry:-Photolysis.md) to learn more. \n\n#### Dry Deposition/Air Surface Exchange\n* In STAGE, updates were made to land use mappings to an internal land use category via CMAQ_Control_STAGE.nml that is user customizable. Updates were also made to rectify an underflow encountered in the STAGE Emerson in debug mode. See the [STAGE release notes](../Release_Notes/CMAQ-Release-Notes:-Dry-Deposition-Air-Surface-Exchange:-Surface-Tiled-Aerosol-and-Gaseous-Exchange-(STAGE).md) to learn more. \n\n* In M3DRY, (1) changes to Ammonia (NH3) deposition in M3DRY for model configurations without NH3 BIDI, (2) changes to NH3 dry deposition flux and NH3 emissions flux calculations in M3DRY, upward and downwards fluxes changed, but net flux remains the same. See the [M3DRY release note](../Release_Notes/CMAQ-Release-Notes:-Dry-Deposition-Air-Surface-Exchange:-M3DRY.md#revised-dry-dep-flux-for-nh3) to learn more. \n\n#### Stratosphere-Troposphere Exchange\n* Removed dependency on sigma-P coordinate system in PV-O3 scaling. The update impacted O3 distributions between 300-100hPa and generally improved model estimates relative to observations at these levels. See the [Stratospheric-Troposphere exchange release note](../Release_Notes/CMAQ-Release-Notes:-Stratospheric‐Tropospheric-Exchange-(STE))for more information. \n\n#### Emissions\n* Updates to the in-line version of MEGAN BDSNP, which corrects a bug in the pulsing subroutine of BDSNP (small impact on estimated soil NO). See the [MEGAN-BDSNP](../Release_Notes/CMAQ-Release-Notes:-Emissions-Updates:-Model-of-Emissions-of-Gases-and-Aerosols-from-Nature-(MEGAN)-Biogenic-Emissions.md#bdsnp-dry-hours-calculation.md) to learn more. \n\n#### Process Analysis & Sulfur Tracking Model (STM) \n* Fixes to Sulfur Tracking Model (STM) correct errors in attribution of sulfate from gas phase chemistry, which inadvertently got introduced in the previous model version. See [CMAQ-STM Release Notes](../Release_Notes/CMAQ-Release-Notes:-Process-Analysis-&-Sulfur-Tracking-Model-(STM).md#fix-to-option-for-sulfur-tracking-model) for more information. \n\n#### Structural Improvements\n* Updated model code and run-scripts so that PV-O3 scaling can be invoked now as a runtime option. See the [Stratospheric-Troposphere exchange release note](../Release_Notes/CMAQ-Release-Notes:-Stratospheric‐Tropospheric-Exchange-(STE)) for more information. \n\n#### Diagnostic Options\n* Updates to ELMO to fix erroneous output for various PM aggregates (PMF_OC, PMF_NCOM, TNO3, etc.). See the [Diagnostic Options](../Release_Notes/CMAQ-Release-Notes:-Diagnostic-Options.md) release notes to learn more. \n\n#### Pre-processors and Utilities\n* MCIP: Updates were implemented to the definition of grid origin for fine-scale lambert conformal grids (i.e. < 4km resolution). See the [MCIP release note](../Release_Notes/CMAQ-Release-Notes:-Preprocessors.md#mcip) for additional details. \n\n#### Post-processors\n* Corrected deposition SpecDef for NOy species. See [release note](../Release_Notes/CMAQ-Release-Notes:-Postprocessors.md#corrected-deposition-species-definition-specdef_dep-files-for-missing-nitrogen-species) for more information. \n* Improved checks on formulas used by Combine. See [combine release note](../Release_Notes/CMAQ-Release-Notes:-Postprocessors.md#improve-checks-on-formulas-used-by-combine) for more details. \n* Increase character limit for station ID in sitecmp_dailyO3 to accommodate emerging networks. See [Site Compare Daily O3 release note](../Release_Notes/CMAQ-Release-Notes:-Postprocessors.md#sitecmp_dailyo3) for more details. \n* Updated time zone csv file used to time shift CMAQ outputs in HR2DAY program to version 4.1.0 released by Natural Earth. Minor impacts on h2day calculations due to time zone updates. See [HR2DAY release note](../Release_Notes/CMAQ-Release-Notes:-Postprocessors.md#updating-tzcsv-to-natural-earth) for more details.\n\n#### Python Tools\n* New Python tool to create CMAQ-ready grid masks from a shape file for defining regions and region families with DESID and using geographic source regions when running CMAQ-ISAM. See [CMAQ-Python tools release note](../Release_Notes/CMAQ-Release-Notes:-PYTOOLS.md#shp2cmaq-create-cmaq-ready-file-from-shapefile). for more details. \n\n\n## What do I need to do to update from v5.4 to v5.5?\n\n\n### What differences should I expect in the required model input files?\n* If you have already successfully migrated to v5.4, you will not need to any additional input to run with the analogous options in v5.5. However, if you trying to run with the newest released version of CRACMM in v5.5, users will have to generate or map existing emissions to CRACMMv2.0. For additional information on emissions for CRACMMv2.0 please see the [CRACMM GitHub Page](https://github.com/USEPA/CRACMM/tree/main/emissions). \n\n\n### What differences should I expect in my model output files?\n* The photolysis diagnostic files were updated to include additional variables (e.g., absorption AOD) that may help in evaluation of optical properties against measurements.\n\n\n## What differences should I expect in my model results with v5.5 compared to v5.4?\n\nThe following summary is based on our testing of CMAQv5.4 and CMAQv5.5 using annual 2018 simulations performed over both the northern hemisphere (108 km horizontal grid spacing, 44 vertical layers) and the CONUS (12 km horizontal grid resolution, 35 vertical layers). The 108 km simulations were used to generate lateral boundary conditions for the 12 km simulations, with science options (except chemical mechanisms & bidi-directional ammonia exchange) matching across both domains. \n\nAll CMAQv5.5 108 km simulations used the cb6r5m_ae7_aq chemical mechanism that includes a detailed representation of halogen chemistry while the 12 km simulations used either the cb6r5_ae7_aq (simplified halogen chemistry) or cracmm2 chemical mechanisms. The CMAQv5.4 108 km simulations used the cb6r5m_ae7_aq chemical mechanism while the 12 km simulations used either the cb6r5_ae7_aq (simplified halogen chemistry), or cracmm1 chemical mechanisms.\n\nThe updates made to the representation of aerosol dry deposition in CMAQv5.4 differ markedly between the M3Dry and STAGE dry deposition schemes. CMAQv5.4 M3Dry updates are based on on [Pleim et al., 2022](https://doi.org/10.1029/2022MS003050) ([see M3DRY release notes](../Release_Notes/CMAQ-Release-Notes:-Dry-Deposition-Air-Surface-Exchange:-M3DRY.md#new-aerosol-deposition-model-aero_depv)) and STAGE updates in its default configuration are based on [Emerson et al., 2020](https://doi.org/10.1073/pnas.2014761117) ([see STAGE release notes](./CMAQ-Release-Notes:-Dry-Deposition-Air-Surface-Exchange:-Surface-Tiled-Aerosol-and-Gaseous-Exchange-(STAGE).md)). To investigate whether the impacts of switching from CMAQv5.4 to CMAQv5.5 differ depending on whether users select the M3Dry or STAGE dry deposition scheme, all simulations comparing v5.4 and v5.5 were performed for both M3Dry and STAGE and results for both schemes are summarized below\n\n#### Natural Emissions\n* Emissions from natural sources (e.g., lightning, wind-blown dust, biogenic emissions) remained the same in v5.5 when compared to v5.4.\n\n### Ozone\n* v5.5 CB6 - v5.4 CB6: ~0.2 ppbV increase in seasonal domain mean ozone mixing ratio from CMAQv5.5 to CMAQv5.4 with larger isolated differences in individual grid cells depending on sub-grid convective cloud activity. This difference is attributed to the updates in the photolysis module to properly capture impacts of sub-grid clouds. \n\n* v5.5 CRACMM2 - v5.4 CRACMM1: Increase of 1-2 ppbV seasonal domain mean surface ozone mixing ratio in warmer months, especially in eastern US. Decrease of 1 ppbV season domain mean surface ozone mixing ratio in the winter, particularly in the eastern US. These changes are mostly due to updates to Isoprene chemistry [Skipper et al., 2024, preprint](https://doi.org/10.5194/egusphere-2024-554).\n\n* All of the ozone comparisons discussed above (CMAQv5.5 CB6 vs. CMAQv5.4 CB6 and CMAQv5.5 CRACMM2 vs. CMAQv5.4 CRACMM1) generally hold true for both the M3Dry and STAGE dry deposition schemes.\n\n* **Summary**: Minor increase in seasonal mean ozone mixing ratio due to corrections in photolysis module for the CB6 system, with larger more transient impacts due to sub-grid convective activity. Updates to the CRACMM system in CMAQv5.5 increase ozone mixing ratio during warmer months, while decreasing ozone in the winter particularly in the eastern US. \n\n\n### PM2.5\n* v5.5 CB6 - v5.4 CB6: In simulations without ammonia bi-directional exchange, there is less than 0.1 of a µg/m3 impact on seasonal surface mean PM fine concentrations, except for regions of extreme aerosol loading which has an increase in winter and slight decrease in summer. These changes are mostly due to updates to the uni-directional ammonia (NH3) deposition, where ammonia deposition is now scaled by leaf area index. For simulations with ammonia bi-directional exchange, there is little to no impact from incrementing from v5.4 to v5.5. \n\n* v5.5 CRACMM2 - v5.4 CRACMM1: Widespread 0.5 - 1 ug/m3 decrease in seasonal mean PM fine concentrations over most of the modeling domain. Reductions driven by treatment of monoterpene nitrates and highly oxygenated organic molecules (HOM) formation ([Skipper et al., 2024, preprint](https://doi.org/10.5194/egusphere-2024-554). Summer mean sulfate concentrations increased by 0.1 - 0.5 ug/m3 over the Southeastern U.S. due to the updates to the rate of sulfate catalyzed IEPOX which also contributed to the decrease in organic aerosols ([Vannucci et al, 2024](https://doi.org/10.1021/acsearthspacechem.3c00333)).\n\n* All of the PM Fine comparisons discussed above (CMAQv5.5 CB6 vs. CMAQv5.4 CB6 and CMAQv5.5 CRACMM2 vs. CMAQv5.4 CRACMM1) generally hold true for both the M3Dry and STAGE dry deposition schemes.\n\n* **Summary**: Very minor change in seasonal mean PM fine concentrations for simulations without bidi directional ammonia exchange. Updates to the CRACMM system caused a decrease in seasonal mean PM fine concentrations over most of the modeling domain. \n\n### Deposition\n* v5.5 CRACMM2 - v5.4 CRACMM1: Changes in seasonal total sulfur (S) and nitrogen (N) Deposition for both M3DRY and STAGE were minor. The most substantial change was a 5-25% increase in S wet deposition in the summer over the Southeastern U.S., in agreement with the increase in mean sulfate concentrations in the same region. CRACMM2 updates led to substantial decreases (>50%) in organic nitrate (NTR) deposition in the Eastern U.S., mostly in regions with high biogenic emissions. This had little impact on Total N deposition since NTR makes up a small fraction of wet and dry N deposition. \n \n\n## Are there new benchmark data and documentation updates?\nYes! We have made updates throughout our [User's Guide](../Users_Guide/README.md), including Appendices and Tutorials, to improve clarity and describe new options and features. We recommend revisiting sections that relate to your work to see the latest guidance. \n\nWe have also expanded our benchmark datasets and tutorials to include MPAS-CMAQ and CRACMM2. The Table below summarizes the benchmark data available with v5.5 and the associated Tutorials for running a test case simulation for the specific model configuration.\n\n|**CMAQ Version**|**Data Type (Size)**|**Domain**|**Simulation Dates**|**Data Access**|**Tutorial**| \n|:----:|:----:|:--------------:|:----:|:--------:|:----:|\n|MPAS-CMAQ| Input (215 GB) | Global (uniform 120) | Jan 1, 2017|[Metadata, DOI, and links to data on AWS](https://doi.org/10.15139/S3/PAHQFO)
[AWS Link](https://mpas-cmaq.s3.amazonaws.com/index.html) |[Tutorial](https://github.com/USEPA/CMAQ/blob/main/DOCS/Users_Guide/PDF/CMAQ_UG_09_2019.pdf)|\n|v5.4 CB6r5 | Input (6.1 TB) | 12US1 | Jan 1 - Dec 31, 2018 | [Metadata, DOI, and links to data on AWS](https://doi.org/10.15139/S3/LDTWKH)
[AWS Link](https://cmas-cmaq-modeling-platform-2018.s3.amazonaws.com/index.html) ||\n|v5.4 CB6r5 | Input (10.3 GB)| Northeast US| July 1 - 2, 2018| [Metadata, DOI, and download instructions ](https://doi.org/10.15139/S3/BWMI8X)
[Google Drive Link](https://drive.google.com/drive/folders/1AFUB-4kzIXXoZr4hOHNBqRvy9JQ9_MDp)
[AWS Link](https://cmaq-release-benchmark-data-for-easy-download.s3.amazonaws.com/v5_4/CMAQv5.4_2018_12NE3_Benchmark_2Day_Input.tar.gz)||\n|v5.5 CRACMM2| Input (6 GB) | 12NE3 | July 1 - 2, 2018 | [Metadata, DOI, and links to data on AWS]( https://doi.org/10.15139/S3/X5SZM2)
[AWS Link](https://cmaq-release-benchmark-data-for-easy-download.s3.amazonaws.com/v5_5/CMAQv5.5_2018_12NE3_Benchmark_cracmm2_stage_2Day_Input.tar.gz) ||\n|v5.5 CRACMM2| Output (19 GB) | 12NE3 | July 1 - 2, 2018 | [Metadata, DOI, and links to data on AWS]( https://doi.org/10.15139/S3/X5SZM2)
[AWS Link](https://cmaq-release-benchmark-data-for-easy-download.s3.amazonaws.com/v5_5/output_CCTM_v55_gcc_Bench_2018_12NE3_cracmm2_stage.tar.gz)|[Tutorial](../Users_Guide/Tutorials/CMAQ_UG_tutorial_benchmark_cracmm2_stage.md)|\n|v5.5 CB6r5 M3Dry | Output (15 GB) | 12NE3 | July 1 - 2, 2018 | [Metadata, DOI, and links to data on AWS](https://doi.org/10.15139/S3/X5SZM2)
[AWS Download Link](https://cmaq-release-benchmark-data-for-easy-download.s3.amazonaws.com/v5_5/output_CCTM_v55_gcc_Bench_2018_12NE3_cb6r5_ae7_aq_m3dry.tar.gz) |[Tutorial](../Users_Guide/Tutorials/CMAQ_UG_tutorial_benchmark.md)|\n|v5.5 CB6r5 STAGE | Output (16 GB) | 12NE3 | July 1 - 2, 2018 | [Metadata, DOI, and links to data on AWS](https://doi.org/10.15139/S3/X5SZM2)
[AWS Download Link](https://cmaq-release-benchmark-data-for-easy-download.s3.amazonaws.com/v5_5/output_CCTM_v55_gcc_Bench_2018_12NE3_cb6r5_ae7_aq_stage.tar.gz) |[Modify the M3DRY Tutorial](../Users_Guide/Tutorials/CMAQ_UG_tutorial_benchmark.md)|\n|v5.5-ISAM CB6r5 M3Dry | Output (52 GB) | 12NE3 | July 1 - 2, 2018 | [Metadata, DOI, and links to data on AWS](https://doi.org/10.15139/S3/X5SZM2)
[AWS Link](https://cmaq-release-benchmark-data-for-easy-download.s3.amazonaws.com/v5_5/output_CCTM_v55_ISAM_gcc_Bench_2018_12NE3_cb6r5_ae7_aq_m3dry.tar.gz) |[Tutorial](../Users_Guide/Tutorials/CMAQ_UG_tutorial_ISAM.md)|\n|v5.5-DDM3D CB6r5 M3Dry | Output (16 GB) | 12NE3 | July 1 - 2, 2018 | [Metadata, DOI, and links to data on AWS](https://doi.org/10.15139/S3/X5SZM2)
[AWS Download Link](https://cmaq-release-benchmark-data-for-easy-download.s3.amazonaws.com/v5_5/output_CCTM_v55_DDM3D_gcc_Bench_2018_12NE3_cb6r5_ae7_aq_m3dry.tar.gz) |[Tutorial](../Users_Guide/Tutorials/CMAQ_UG_tutorial_DDM3D.md)|\n\n\n\n## Community Contributions\nThe CMAQ team would like to thank our user community for contributing to model updates in CMAQv5.5 by identifying issues, performing tests, and/or proposing code changes. The following v5.5 updates include a community contribution*.\n\n* Updates to unidirectional fluxes in M3DRY came out of fruitful conversations with researchers Brett Schichtel and Gustavo Cuchiara Copstein from Colorado State's Cooperative Institute for Research in the Atmosphere [(Release Note)](../Release_Notes/CMAQ-Release-Notes:-Dry-Deposition-Air-Surface-Exchange:-M3DRY.md#revised-dry-dep-flux-for-nh3).\n* An issue identified by shatani on the [CMAS User Forum](https://forum.cmascenter.org/t/aerosol-bulk-name-as-emission-species-name-in-the-desid-chemical-mapping-control/3692/1) led to an updated to the DESID module [(Release Note)](../Release_Notes/CMAQ-Release-Notes:-Emissions-Updates:-Detailed-Emissions-Scaling-Isolation-and-Diagnostics-Module-(DESID).md#chemical-family-support). \n* Bonyoung Koo identified an issue on the [CMAS User Forum ](https://forum.cmascenter.org/t/incorrect-pm25-na-calculation-in-the-elmo-module/4615) that led to an update to the ELMO module [(Release Note)](../Release_Notes/CMAQ-Release-Notes:-Diagnostic-Options.md#correct-calculation-of-pm1-pm25-and-pm25to10-as-well-as-speciated-na-k-ca-and-mg-in-elmo). \n* An issue identified by Abi on the [CMAS User Forum](https://forum.cmascenter.org/t/cmaqv5-2-ddm-not-able-to-output-more-than-one-sens/3669/1) led to an update to CMAQ-HDDM to allow for correct sub-setting of variables to the ASENS output file. \n* Sheng-Po Chen identified an error in the molecular weight of HGIIGAS in several species tables on the [CMAS User Forum](https://forum.cmascenter.org/t/error-of-the-molecular-weight-for-hgiigas/4673) which has now been fixed ([Release Note](../Release_Notes/CMAQ-Release-Notes:-Chemistry:-Carbon-Bond-6-Mechanism-(CB6).md#correction-to-molecular-weight-of-hgiigas-in-species-tables)).\n* Will Hatheway caught a typo in the config_cmaq.csh file and proposed an update on the [CMAQ GitHub repository](https://github.com/USEPA/CMAQ/issues/199).\n* Simon Rosanka, from the University of California, Irvine, proposed a bugfix to CCTM/src/gas/ros3/rbdriver.F on the [CMAQ GitHug repo](https://github.com/USEPA/CMAQ/pull/198) to avoid a model crash when using the conditional rbstats option. \n* Feng Liu identified an issue in CMAQ-HDDM on the [CMAS User Forum](https://forum.cmascenter.org/t/cmaqv5-4-hddm-gives-too-high-second-order-sensitivity/3722/1) and provided testing and calculations that led to an update to address unreasonably high 2nd order sensitivity coefficients.\n\n\\*We attempted to be comprehensive in this list but if we have missed a contribution from you or a colleague, please forgive our oversight and contact us at [CMAQ_Team@epa.gov](mailto:CMAQ_Team@epa.gov) so that we can correct our mistake. Thank you for helping us improve the CMAQ modeling system! \n\n\n## How to Cite CMAQ\nPlease see our 'How to Cite CMAQ' page if you are interested in referencing one of our released model versions, scientific algorithms, or model output in your own publication: https://www.epa.gov/cmaq/how-cite-cmaq\n\n\n## Additional FAQ\nA more general list of Frequent CMAQ Questions can be found on our website: https://www.epa.gov/cmaq/frequent-cmaq-questions\n\n\n## Technical support for CMAQ\nTechnical support for CMAQ, including questions about model inputs, downloading, compiling, and running the model, \nand pre- and post-processing utilities, should be directed to the [CMAS Center User Forum](https://forum.cmascenter.org/). \n [**Please read and follow these steps**](https://forum.cmascenter.org/t/please-read-before-posting/1321) prior to submitting new questions to the User Forum.\n" }, { "path": "DOCS/Release_FAQ/README.md", "content": "# FAQ Pages\n\n* [CMAQv5.5-Series-FAQ](./CMAQv5.5-Series-FAQ.md): Frequently asked questions for upgrading to the latest CMAQ version\n* [CMAQv5.4-Series-FAQ](./CMAQv5.4-Series-FAQ.md): Frequently asked questions for upgrading from v5.3.3 to v5.4\n\n" }, { "path": "DOCS/Release_Notes/CMAQ-Release-Notes:-Chemistry.md", "content": "# Chemistry\n\nThis page contains links to Wiki pages describing current and past changes to the Chemical components in CMAQ. \n\n### Chemistry Changes\n * [Community Regional Atmospheric Chemistry Multiphase Mechanism (CRACMM)](./CMAQ-Release-Notes:-Chemistry:-Community-Regional-Atmospheric-Chemistry-Multiphase-Mechanism-(CRACMM).md) \n * [Carbon Bond 6 Mechanism (CB6)](./CMAQ-Release-Notes:-Chemistry:-Carbon-Bond-6-Mechanism-(CB6).md)\n * [Carbon Bond 6 Mechanism (CB6) with Detailed Marine Halogen Chemistry](./CMAQ-Release-Notes:-Chemistry:-Carbon-Bond-6-Mechanism-(CB6)-with-Detailed-Marine-Halogen-Chemistry.md)\n * [Carbon Bond 6 Mechanism (CB6) with Hazardous Air Pollutants](./CMAQ-Release-Notes:-Chemistry:-Carbon-Bond-6-Mechanism-(CB6)-with-Hazardous-Air-Pollutants.md)\n * [State Air Pollution Research Center (SAPRC)](./CMAQ-Release-Notes:-Chemistry:-State-Air-Pollution-Research-Center-(SAPRC).md)\n * [Regional Atmospheric Chemistry Mechanism (RACM)](./CMAQ-Release-Notes:-Chemistry:-Regional-Atmospheric-Chemistry-Mechanism-(RACM).md)\n * [Aerosol Dynamics](./CMAQ-Release-Notes:-Chemistry:-Aerosol-Dynamics.md)\n * [Aqueous Chemistry Scavenging and Wet Deposition](./CMAQ-Release-Notes:-Chemistry:-Aqueous-Chemistry-Scavenging-and-Wet-Deposition.md)\n * [Gas Phase Chemistry Solvers](./CMAQ-Release-Notes:-Chemistry:-Gas-Phase-Chem-Solvers.md)\n * [Photolysis](./CMAQ-Release-Notes:-Chemistry:-Photolysis.md)" }, { "path": "DOCS/Release_Notes/CMAQ-Release-Notes:-Chemistry:-Aerosol-Dynamics.md", "content": "### Improve Aerosol Boundary Condition Processing\n[Ben Murphy](mailto:murphy.ben@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Bug Fix \n**Release Version/Date**: CMAQv5.5 \n\n**Description**: \nWhen aerosol boundary conditions are provided from a source that omits particle number concentration, CMAQv5.4 and prior will detect the default concentrations (1.0E-30) as acceptable. This creates physically unrealistic size distributions at the boundaries, which lead to negative aerosol concentrations when operated on by processes like aerosol sedimentation. Collaborators and users have reported FLOOR files indicating these problems when using boundary conditions from sources like GEOSChem. \n\nWith this update, the lower bound is raised to 1.1E-30 which should be able to detect missing boundary concentration data in most cases. The aerosol mode variables (Number and Second Moment) are reset to values that are consistent with realistic size distributions, negative concentrations are resolved, and FLOOR files are no longer generated. \n\n**Significance and Impact**: \nThe update is needed for any runs performed with GEOSChem boundary conditions, especially if particle predictions are an output of interest. The impact on PM2.5 is mostly seen at the boundaries although some differences in the internal domain can also be observed. There should be minimal impact on ozone concentrations. \n\nThere is no impact on simulations run with Hemispheric CMAQ boundary conditions, which include particle number and surface are variables on the boundary condition input files.\n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#1080](https://github.com/USEPA/CMAQ/commit/5638ccd750eb63e48664a53d7fe8a14c2a410e58) | [PR#1080](https://github.com/USEPA/CMAQ_Dev/pull/1080) | \n \n\n### Two-Moment Option for Particle Coagulation\n[Ben Murphy](mailto:murphy.ben@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Bug Fix/Science Update \n**Release Version/Date**: CMAQv5.4 \n\n**Description**: \nThe current three-moment approach for modeling coagulation for the Aitken and Accumulation modes (intermodal and intramodal coagulation) was found to be inconsistent with sectional and particle-resolved approaches via box modeling. A two-moment approach was documented by Whitby et al. (1991) and is implemented here as a default option.\n\n**Significance and Impact**: \nMinimal change to PM concentration predictions or code structure. Non-negligible impact on fine-mode particle sizes and number concentrations.\n\n**References**: \nWhitby, McMurry, Shankar, and Binkowski. Modal Aerosol Dynamics Modeling, Report to the Atmospheric Research and Exposure Assessment Laboratory, US EPA, 1991.\n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#879](https://github.com/USEPA/CMAQ/commit/ae76f45de41c78bdd76afd65187b3f900f606c8a) | [PR#879](https://github.com/USEPA/CMAQ_Dev/pull/879) | \n\n### Sulfuric Acid Conservation in VOLINORG\n[Ben Murphy](mailto:murphy.ben@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Bug Fix \n**Release Version/Date**: CMAQv5.4 \n\n**Description**: \nThe current implementation of sulfuric acid mass transfer from the gas to particle phase in the VOLINORG subroutine assumes that the sulfuric acid concentration leaving the subroutine equals the concentration calculated using a pseudo-steady-state assumption with the gas production rate divided by the condensation sink. This concentration could be higher or lower than the abundance of sulfuric acid predicted after execution of the chemistry model, so sulfur is not conserved. Since H2SO4 at the beginning of VOLINORG already has the gas-phase production in it from the chemistry module, a more conservative approach is now used, equivalent to:\nH2SO4_FINAL = H2SO4_INITIAL - [Change in ASO4]* MWSO4/MWH2SO4.\n\n**Significance and Impact**: \nDifferences in sulfuric acid concentrations at the surface up to a factor of 100, but these are always during cases where the absolute concentration is below 0.1 ug m-3. Generally dry and wet deposition decrease, but not by large amounts when run on the Southeast benchmark case. \n\n**References**: \n**Internal PRs** [PR#636](https://github.com/USEPA/CMAQ_Dev/pull/636) \n\n### Update Aerosol Size Distribution Check for ICs and BCs\n[Ben Murphy](mailto:murphy.ben@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Bug Fix/Science Update \n**Release Version/Date**: CMAQv5.4 \n\n**Description**:\nThe aerosol size distribution parameters (number, surface area, and speciated mass) from the initial and boundary conditions is read in and 'conditioned' by the aero_check_icbc routine in AERO_DATA.F. This routine checks to make sure that the total aerosol mass, number and surface area are above zero and that they combine to give appropriate modal diameter and standard deviation (i.e. within the bounds asserted in AERO_DATA.F). If the parameters do not meet the constraints imposed, then the number and/or surface area may be adjusted in order to fit reference values for diameter and standard deviation.\n\nThere are complexities to this issue that were not adequately accounted for in the current implementation. First, the current implementation only supports inputs where the surface area specifies the dry distribution, but inputs could be configured for the wet deposition and thus contradict the expectations of the conditioning module. An option is now provided in the CCTM runscript to specify the nature of the surface area input for initial and boundary conditions independently.\n\nSecondly, it is possible that no surface area parameter is provided on the inputs. This use case is now supported with options on the CCTM runscript that control the initial and boundary conditions independently.\n\nThird, the consideration of grid cells has been limited to just those actually on the boundaries of the grid domain. All boundary cells for interior subdomains and interior boundary cells for subdomains on the domain edge are ignored. This saves model computation time.\n\nFinally, the logical flow has been made more thorough and robust to catch extreme errors in diameter and standard deviation, but pass minor errors (i.e. sigma = 1.04999 instead of 1.05) and correct them without warning.\n\nDeprecated variables including AVISDIAG, ZERO_PCSOA and AOD are also removed since their functionality is no longer supported.\n\n**Significance and Impact**:\nImpact on surface concentrations and domain-wide budget were assessed for a July 2016 case. Average PM2.5 surface concentrations changed by less than 0.025 ug m-3. Average Accumulation and Aitken mode diameters changed by less than 2.5 nm.\n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#874](https://github.com/USEPA/CMAQ/commit/c6bb6fe9d84fc4d6cd277c761715a83031ac5611) | [PR#874](https://github.com/USEPA/CMAQ_Dev/pull/874) | \n\n### Reclassify all SOA species as 'dry' aerosol\n[Ben Murphy](mailto:murphy.ben@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Science Update \n**Release Version/Date**: CMAQv5.4 \n\n**Description**: \nSOA is currently categorized as 'wet' aerosol for the purposes of calculating aerosol surface area for transport. CMAQ recalculates the surface area ignoring wet aerosol components in order to prevent unstable calculations during vertical updrafts. The approach of considering SOA as one of these wet components was made more than a decade ago and doesn't appear necessary for current CMAQ numerical stability.\n\nThis PR builds on top of PR #874 by using the improved IC/BC size distribution conditioning. It's important to note that if all organics are treated as dry aerosol, then there is an inconsistency with existing boundary conditions, which have aerosol surface area consistent with assuming the SOA is wet. Until new boundary conditions are generated with SOA as dry, it is strongly recommended to ignore aerosol surface area inputs from ICs and BCs. This is achieved with a runscript option introduced in PR #874 (IC_AERO_M2USE and BC_AERO_M2USE).\n\n**Significance and Impact**: \nModest decreases to organic aerosol concentrations throughout the US domain for a July 1-31, 2016 case. Some reductions in bias, but changes are not very large.\n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#890](https://github.com/USEPA/CMAQ/commit/d5bdbad4e83e945533b851ab74dfef6b59b366a7) | [PR#890](https://github.com/USEPA/CMAQ_Dev/pull/890) |\n\n### Simplify Aerosol Chemical Namelist\n[Ben Murphy](mailto:murphy.ben@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Interface Update \n**Release Version/Date**: CMAQv5.4 \n\n**Description**: \nAerosol species are currently provided to the AE namelist with mode suffixes indicating the size of the particles the species is applicable for (e.g. aitken, accumulaiton, or coarse). This PR removes the suffix from all chemical species names on the AE namelist, removes duplicative species names so that only one entry for each chemical species persists, and then adds 3 columns with T/F values indicating for which modes this species should be considered. The CGIRD_SPC routine reads in the aerosol chemical species and distributes the species in modal space using a new routine added to the AERO_DATA file outside of the AERO_DATA module. This routine must be outside of AERO_DATA because AERO_DATA uses CGRID_SPCS for information as well.\n\nCode has also been added to chemmech to process the new namelist format correctly. The dependence on the AERO_DATA table has been removed here so there are in effect fewer checks for chemmech than there are for the CCTM, but users will still encounter the checks when they eventually run the CCTM. The alternative is to have AERO_DATA tables in two places and this is not desired at this time.\n\n**Significance and Impact**: \nNo impact on predictions should be observed.\n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#885](https://github.com/USEPA/CMAQ/commit/0012539ab2c4927ed6fb28107d71c505bb1a9fe1) | [PR#885](https://github.com/USEPA/CMAQ_Dev/pull/885) |" }, { "path": "DOCS/Release_Notes/CMAQ-Release-Notes:-Chemistry:-Aqueous-Chemistry-Scavenging-and-Wet-Deposition.md", "content": "### Cleanup of unit conversions and wetdep output mapping \n[Ben Murphy](mailto:murphy.benjamin@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Science Update \n**Release Version/Date**: CMAQv5.5 \n\n**Description**: \nIn CMAQv5.4 and prior, there are at least 3 or 4 different mapped vectors through which data is passed when translating from CGRID to the local arrays within scavwdep and aqchem. Each of these steps constrains the flexibility to expand gas and aerosol components and necessitates the differentiation of codes to maintain separate modules. For example, 'mp', and 'kmt' flavors require special versions of AQ_DATA and/or aq_map to handle mapping. Unfortunately, when the various optional modules for cloud chemistry diverge, it becomes much less likely that instrumented codes like STM and ISAM will be applied across all options. It is also more difficult to keep cloud process codes like CONVCLD and RESCLD consistent across all options.\n\nWith refactored mapping procedures, these can all be merged and all the cloud chemical schemes can take advantage of STM, ISAM, and other improvements made to the base code. These improvements will also reduce maintenance needed.\n\nThis code update simplifies the unit conversions in cldproc and the mapping of wet deposition rates. Vectors supporting these maps are now available in CGRID_SPCS and don't need to be recalculated in cldproc. Scavwdep was updated to take advantage of aerosol masks. Further updating of scavwdep will occur in subsequent PR's. DDM and ISAM codes were modified for consistency with the new changes.\n\n**Significance and Impact**: This code update is designed to improve the transparency and flexibility of mapping, speciation, and instrumentation within the cloud chemistry/removal processor. \n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#651](https://github.com/USEPA/CMAQ/commit/cd7b0e8939552ca8056e348fc3758513280cc095) | [PR#651](https://github.com/USEPA/CMAQ_Dev/pull/651) |\n \n\n### Bug fix for AE2AQ surrogates and redistribution of aerosol species after cloud processing \n[Kathleen Fahey](mailto:fahey.kathleen@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Bug Fix \n**Release Version/Date**: CMAQv5.5 \n\n**Description**: \nThis is a bug fix updating the treatment of aerosol-to-aqueous surrogates (AE2AQ) for those species in the aerosol namelists that had a mismatch in number of modes of a chosen surrogate and the CMAQ aerosol species, leading to incomplete or incorrect treatment for the affected aerosol species during cloud processing (e.g., if an aerosol species with an I and J mode was assigned to an AE2AQ surrogate with only a J-mode, Aitken scavenging was not calculated for that aerosol species). This update also corrects the redistribution of an aqueous surrogate to \"CEND\" aerosol species after cloud processing if (1) the surrogate has an I and J mode and (2) the I and J mode fractional compositions of the surrogate are different.\n\n**Significance and Impact**: \nThese updates correct the in-cloud treatment and post-cloud redistribution of inert aerosol species. PM2.5 impacts are minor. \n\n![Fahey_AE2AQ_BugFix](https://github.com/user-attachments/assets/4a16562f-faa3-4c0c-a59b-817d30cda615)\n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#976](https://github.com/USEPA/CMAQ/commit/53d0884fc138ab2cb48cf733de961be448b4395d) | [PR#976](https://github.com/USEPA/CMAQ_Dev/pull/976) | " }, { "path": "DOCS/Release_Notes/CMAQ-Release-Notes:-Chemistry:-Carbon-Bond-6-Mechanism-(CB6)-with-Detailed-Marine-Halogen-Chemistry.md", "content": "### Correction to Species Tables for cb6r5m_ae7_aq\n**Type of update**: Documentation update \n**Release Version/Date**: CMAQ version 5.5 \n**Description:** [See release note under Carbon Bond 6 Mechanism](https://github.com/USEPA/CMAQ/wiki/CMAQ-Release-Notes:-Chemistry:-Carbon-Bond-6-Mechanism-(CB6)#correction-to-molecular-weight-of-hgiigas-in-species-tables) \n\n### Detailed Halogen Chemistry Update\n\n[Golam Sarwar](sarwar.golam.email@epa.gov), U.S. Environmental Protection Agency \n\n**Type of update**: Science Update \n\n**Release Version/Date**: CMAQv5.4\n\n**Description**:\n\nTwo different updates are implemented into the detailed halogen chemistry:\n\nThe first update:\n\nDetailed halogen (bromine and iodine) chemistry was previously incorporated into the CB6r3 chemical mechanism and implemented into the CMAQ model (Sarwar et al., 2015; Sarwar et al., 2019). The combined chemical mechanism containing CB6r3 and detailed halogen chemistry is named as CB6r3m. Several halogen reactions and emissions estimates are updated.\n\n• Existing CB6r3m includes several bromine reactions in cloud following Long et al., (2013, 2014). These bromine reactions in cloud are removed in the updated chemistry. The existing chemistry used the AQCHEM-KMT cloud module (kmtbr); the updated chemistry uses the standard cloud model (aq).\n\t\n• Existing CB6r3m includes several heterogenous reactions of iodine and bromine species. CMAQ estimates total aerosol surface area which was used for calculating heterogeneous rate rates for these reactions. The chemistry is revised to use sea-salt surface area (Saiz-Lopez et al., 2014; Badia et al., 2019):\n\n\tV = 10-9× [ CNA / ρNA + CCL / ρCL + CMG / ρMG + CCA / ρCA + CK / ρK + 0.2514 CNA / ρSO4]\n\n\tS = V∙6/D_g ∙e^(0.5∙(logσ_g )^2 )\n\nWhere, V = volume of sea-salt aerosol, C = concentration, ρ = density, S = surface area of sea-salt aerosol, D_g = particle diameter, σ_g = geometric standard deviation, NA = sodium, Cl = chloride, SO4 = sulfate, MG = magnesium, CA = calcium, K = potasium, 0.2514 is the emission ratio of SO4/NA in sea-salt emission.\n\n• Added heterogenous reactions of BrNO3 and BrNO2 following Fernandez et al. (2014). Reaction product yields used by Fernandez et al. (2014) are incorporated into heterogeneous rate constants (AEROSOL_CHEMISTRY.F). Revised product yields of the heterogenous reaction of HOBr following Fernandez et al. (2014).\n\n\tBrNO3 + ACl = BrCl + HNO3 \n\n\tBrNO3 + ABr = Br2 + HNO3\n\n\tBrNO2 + ACl = BrCl + HONO \n\n\tBrNO2 + ABr = Br2 + HONO\n\n\tHOBr + ACl = BrCl \n\n\tHOBr + ABr = Br2\n\n• Added two gas-phase iodine reactions\n\n\tI2O2 = IO + IO (Ordonez et al., 2012)\n\n\tHOI + NO3 = IO + HNO3 (Saiz-Lopez et al., 2016)\n\n• Existing CB6r3m contains heterogeneous loss of HI on aerosols following Sherwen et al. (2016a, 2016b) while other studies do not include such loss (Saiz-Lopez et al., 2014; Badia et al., 2019). This heterogeneous loss of HI is removed in the updated chemistry.\n\n• Existing CB6r3m contains a reaction for CH3Br (CH3Br + OH = Br + FORM). The reaction was added for future expansion as the model does not include any CH3Br emissions. The reaction is now removed from the model.\n\n• Existing model includes heterogeneous hydrolysis of ClNO3 and BrNO3 on J-mode aerosols; now they are added on both I- and J-mode aerosols.\n\n• Existing model includes heterogeneous losses of I2O2, I2O3, I2O4 on J-mode aerosols; now they are added on both I- and J-mode aerosols.\n\n• Halocarbon emissions are estimated using monthly climatological chlorophyll values from satellite. Chlorophyll values are used without any limitation. However, these values can be high in some coastal areas which can cause atomic iodine concentration to reach high levels in some coastal grid-cells. Chlorophyll values are now limited to a value of 1.0 following the procedure used in the Comprehensive Air quality Model with extensions (CAMx) (Yarwood et al., 2014). The following revised parametrization is used to estimate halocarbon emissions:\n\n\tEHC = 4.31×10-8 × AGC × fHC × fDP × chl-a \n\n\nwhere EHC = halocarbon emission rate, 4.31×10-8 represents a base emission rate, AGC = surface area of a grid-cell, fHC = a species-dependent emission factor, fDP = a diurnal profile factor based on the grid cell local hour peaking at noon, and chl-a = monthly climatological chl-a concentration from MODIS.\n\n• Rosenbrock is the most efficient solver for halogen chemistry and is set as the default solver.\n\nThe second update:\n\nRamboll, the developer of the Carbon Bond chemical mechanism, recently updated the chemical mechanism (CB6r5) and implemented it into the Comprehensive Air quality Model with extensions (CAMx) (Yarwood et al., 2020). The Carbon Bond chemical mechanism in CMAQ has recently been updated into CB6r5 (PR #731). Here, the updates related to CB6r5 are incorporated into the combined chemical mechanism containing the Carbon Bond chemical mechanism and the detailed halogen chemistry (CB6r5m_ae7_aq). In summary, Cb6r3m is updated into Cb6r5m keeping the detailed halogen chemistry updates contained in Cb6r3m. \n\n**Significance and Impact**: \n\nThe first update:\n\nModel simulations were completed with the existing and updated CB6r3m over the Northern Hemisphere for the year of 2016 (annual simulation). The update increases seasonal mean ozone over seawater and land areas compared to the previous chemistry (Figure 1). The impacts are higher in cooler months than those in warmer months. It affects Model Bias both at AQS (Figure 2) and CASTNET sites (Figure 3).\n\n\n![image](https://user-images.githubusercontent.com/17162838/172228107-48e829aa-67bf-4662-9b8c-297a0ca3ad8b.png)\n\nFigure 1: Impact of the halogen chemistry update on seasonal mean ozone.\n\n\n![image](https://user-images.githubusercontent.com/17162838/172228347-ab452cfe-b4dd-4598-898a-d9473997ca9e.png)\n\nFigure 2: A comparison of model predicted daily maximum 8-hr ozone with observed data (left) and monthly mean Model Bias (right) at AQS sites.\n\n\n![image](https://user-images.githubusercontent.com/17162838/172228394-cfc82f81-3bd4-40ef-bb15-43a8aab2545f.png)\n\nFigure 3: A comparison of model predicted daily maximum 8-hr ozone with observed data (left) and monthly mean Model Bias (right) at CASTNET sites.\n\n\nThe second update:\n\nTwo separate annual simulations were performed for 2016. One simulation used CB6r3m_ae7_aq and the other simulation used CB6r5m_ae7_aq. The update changes mean ozone in each season (Figure 1). It increases ozone in some areas while decreasing ozone over other areas. The update affects Model Bias both at AQS and CASTNET sites (Figure 2) by small margins.\n\n![image](https://user-images.githubusercontent.com/17162838/172229418-c5350f8b-c5af-49d4-80d9-dc1e3c086159.png)\n\nFigure 1: Impact of CB6r5m on seasonal mean ozone\n\n![image](https://user-images.githubusercontent.com/17162838/172229459-9bda879d-8203-449b-a0ac-3e6f9ee828d9.png)\n\nFigure 2: Impact of CB6r5m on mean Model Bias at AQS and CASTNET sites\n\n\nReferences:\n1.\tBadia, A., Reeves, C. E. and Baker, A. R. and Saiz-Lopez, A. and Volkamer, R. and Koenig, T. K. and Apel, E. C. and Hornbrook, R. S. and Carpenter, L. J. and Andrews, S. J. and Sherwen, T. and von Glasow, R. 2019. Importance of reactive halogens in the tropical marine atmosphere: a regional modelling study using WRF-Chem. Atmos. Chem. Phys, 19, 3161-3189, https://doi.org/10.5194/acp-19-3161-2019.\n2.\tFernandez, R. P.; Salawitch, R. J.; Kinnison, D. E.; Lamarque, J.-F.; Saiz-Lopez, A. Bromine partitioning in the tropical tropopause layer: implications for stratospheric injection. Atmospheric Chemistry and Physics, 2014, 14, 13391-13410. \n3.\tLong, M. S.; Keene, W. C.; Easter, R.; Sander, R.; Kerkweg, A.; Erickson, D.; Liu, X.; Ghan, S., 2013. Implementation of the chemistry module MECCA (v2.5) in the modal aerosol version of the Community Atmosphere Model component (v3.6.33) of the Community Earth System Model. Geosci. Model Dev., 6, 255-262, https://doi.org/10.5194/gmd-6-255-2013, 2013.\n4.\tLong, M. S.; Keene, W. C.; Easter, R. C.; Sander, R.; Liu, X.; Kerkweg, A.; Erickson, D., 2014. Sensitivity of tropospheric chemical composition to halogen-radical chemistry using a fully coupled size-resolved multiphase chemistry–global climate system: halogen distributions, aerosol composition, and sensitivity of climate-relevant gases. Atmos. Chem. Phys., 2014, 14, 3397-3425.\n5.\tOrdóñez, C.; Lamarque, J.-F.; Tilmes, S.; Kinnison, D. E.; Atlas, E. L.; Blake, D. R.; Sousa Santos, G.; Brasseur, G.; Saiz-Lopez, A. Bromine and iodine chemistry in a global chemistry-climate model: description and evaluation of very short-lived oceanic sources. Atmospheric Chemistry & Physics, 2012, 12, 1423-1447.\n6.\tSaiz-Lopez, A.; Fernandez, R. P.; Ordóñez, C.; Kinnison, D. E.; Gómez Martín, J. C.; Lamarque, J.-F.; Tilmes, S. Iodine chemistry in the troposphere and its effect on ozone. Atmos. Chem. Phys., 2014, 14, 13119-13143.\n7.\tSaiz-Lopez, A., Plane, J. M. C., Cuevas, C. A., Mahajan, A. S., Lamarque, J.-F., and Kinnison, D. E.: Nighttime atmospheric chemistry of iodine, Atmos. Chem. Phys., 16, 15593–15604, https://doi.org/10.5194/acp-16-15593-2016, 2016.\n8.\tSarwar, G., Gantt, B.; Schwede, D.; Foley, K.; Mathur, R.; Saiz-Lopez, A. Impact of enhanced ozone deposition and halogen chemistry on tropospheric ozone over the Northern Hemisphere, Environmental Science & Technology, 2015, 49(15):9203-9211.\n9.\tSarwar, G., Gantt, B.; Foley, K.; Fahey, K.; Spero, T.; Kang, D.; Mathur, R.; Foroutan, H.; Xing, J.; Sherwen, T., Saiz-Lopez, A.: Influence of bromine and iodine chemistry on annual, seasonal, diurnal, and background ozone: CMAQ simulations over the Northern Hemisphere, Atmospheric Environment, 395-404, 2019.\n10.\tSherwen, T., Evans, M. J., Carpenter, L. J., Andrews, S. J., Lidster, R. T., Dix, B., Koenig, T. K., Sinreich, R., Ortega, I., Volkamer, R., Saiz-Lopez, A., Prados-Roman, C., Mahajan, A. S., and Ordóñez, C.: Iodine's impact on tropospheric oxidants: a global model study in GEOS-Chem. Atmos. Chem. Phys., 2016, 16, 1161-1186.\n11.\tSherwen, T., Schmidt, J. A., Evans, M. J., Carpenter, L. J., Großmann, K., Eastham, S. D., Jacob, D. J., Dix, B., Koenig, T. K., Sinreich, R., Ortega, I., Volkamer, R., Saiz-Lopez, A., Prados-Roman, C., Mahajan, A. S., and Ordóñez, C. Global impacts of tropospheric halogens (Cl, Br, I) on oxidants and composition in GEOS-Chem, Atmos. Chem. Phys., 2016, 16, 12239-12271.\n12.\tYarwood, G.; Jung, J; Ou, N.; Emery, C., 2012. Improving CAMx performance in simulating ozone transport from the Gulf of Mexico, Final Report for the Texas Commission on Environmental Quality, Project No. 0626408I.\n13. Yarwood, G.; Shi, Y.; Beardsley, R., 2020. Impact of CB6r5 mechanism changes on air pollutant modeling in Texas. Final Report for the Texas Commission on Environmental Quality, Work Order No. 582-20-11221-014.\n14.\tAmedro, D., Berasategui, M., Bunkan, A. J. C., Pozzer, A., Lelieveld, J., and Crowley, J. N.: Kinetics of the OH + NO2 reaction: effect of water vapour and new parameterization for global modelling, Atmos. Chem. Phys., 20, 3091–3105, https://doi.org/10.5194/acp-20-3091-2020, 2020.\n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#717](https://github.com/USEPA/CMAQ/commit/69bb1dd6fc76bdb1ca3042f951734d17e9ff6a9c) | [PR#717](https://github.com/USEPA/CMAQ_Dev/pull/717) |\n|[Merge for PR#738](https://github.com/USEPA/CMAQ/commit/cbe950a910c785aa24d047480c8a3c4a05d4c329) | [PR#738](https://github.com/USEPA/CMAQ_Dev/pull/738) |" }, { "path": "DOCS/Release_Notes/CMAQ-Release-Notes:-Chemistry:-Carbon-Bond-6-Mechanism-(CB6)-with-Hazardous-Air-Pollutants.md", "content": "### Correction to Species Tables for cb6r5hap_ae7_aq\n**Type of update**: Documentation update \n**Release Version/Date**: CMAQ version 5.5 \n**Description** [See release note under Carbon Bond 6 Mechanism](./CMAQ-Release-Notes:-Chemistry:-Carbon-Bond-6-Mechanism-(CB6).md#correction-to-molecular-weight-of-hgiigas-in-species-tables) \n\n\n### Multi-Pollutant version of the cb6r5hap_ae7_aq mechanism\n[William T. Hutzell](mailto:hutzell.bill@epa.gov), U.S. Environmental Protection Agency \n\n**Type of update**: Science Update and New Feature \n\n**Release Version/Date**: CMAQ version 5.4 \n\n**Description** The Multi-pollutant version of the cbr6 mechanism replaces the cb6mp_ae6_aq mechanism in version 5.3.3. The new mechanism is based on cb6r5_ae7_aq and is called cb6r5hap_ae7_aq. It includes the same toxic gas and aerosol species as the cb6mp_ae7_aq while adds (1) gas and aerosol reactive tracers for benzo[a]pyrene and (2) nonreactive tracers for PAHs lumped based on their Toxic Equivalency Factors. \n\n**Significance and Impact**: Users can selectively model a wide range of Hazardous Air Pollutants based on the r5 version of the carbon bond 6 mechanisms in CMAQ 5.4.\n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#887](https://github.com/USEPA/CMAQ/commit/2a64783ac1d0f6dc8ad708920f112c6f2035f8bc) | [PR#887](https://github.com/USEPA/CMAQ_Dev/pull/887) |\n|[Merge for PR#731](https://github.com/USEPA/CMAQ/commit/deb5b42cdd0041549a4aa5b8e6d069f2b75c203d) | [PR#731](https://github.com/USEPA/CMAQ_Dev/pull/731) |\n|[Merge for PR#722](https://github.com/USEPA/CMAQ/commit/fefb235c2c3808284a9364b59c2f7d6ef659b5f8) | [PR#722](https://github.com/USEPA/CMAQ_Dev/pull/722) |\n|[Merge for PR#684](https://github.com/USEPA/CMAQ/commit/2c24787922277311d113815f9073296a4623bc77) | [PR#684](https://github.com/USEPA/CMAQ_Dev/pull/684) |" }, { "path": "DOCS/Release_Notes/CMAQ-Release-Notes:-Chemistry:-Carbon-Bond-6-Mechanism-(CB6).md", "content": "### Correction to molecular weight of HGIIGAS in species tables\n\n[Kristen Foley](mailto:foley.kristen@epa.gov), U.S. Environmental Protection Agency \n**Type of update:** Documentation Update \n**Release Version/Date:** CMAQv5.5 \n**Description:** The molecular weight for HGIIGAS was incorrectly listed as 200.6 in the species tables for cb6r3_ae7_aq, cb6r5_ae7_aq, cb6r5hap_ae7_aq, cb6r5m_ae7_aq. This documentation can be found under CCTM/src/MECHS/README.md. The molecular weight used in GC namelist files for these mechanisms is 271.5. The documentation in the species tables has been updated to be consistent with the namelist files (based on Donohoue et al.m 2005). \n\nThis issue was first identified on the CMAS User forum by Shengpo (https://forum.cmascenter.org/t/error-of-the-molecular-weight-for-hgiigas/4673). \n\n**Significance and Impact**: Documentation updates only. No changes to model results. \n\n**References**: \nDeanna L. Donohoue, Dieter Bauer, and Anthony J. Hynes. The Journal of Physical Chemistry A 2005 109 (34), 7732-7741. DOI: 10.1021/jp051354l \n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#1081](https://github.com/USEPA/CMAQ/commit/30de01b8e0303592b70439908a0b4b02708f881f) | [PR#1081](https://github.com/USEPA/CMAQ_Dev/pull/1081) | \n \n\n### Carbon Bond Chemical Mechanism Version 6 Release 5 (CB6r5)\n\n[Golam Sarwar](mailto:sarwar.golam@epa.gov), U.S. Environmental Protection Agency \n\n**Type of update:** Science Update \n\n**Release Version/Date:** CMAQv5.4 \n\n**Description:** \n\nRamboll, the developer of the Carbon Bond chemical mechanism, recently updated the chemical mechanism (CB6r5) and implemented it into the Comprehensive Air quality Model with extensions (CAMx) (Yarwood et al., 2020). CMAQ currently uses CB6r3 chemical mechanism which is updated into CB6r5. Following changes are included in CB6r5.\n\n• Updated rate constants for 41 reactions\n\n• Updated photolysis rates for 6 reactions: formaldehyde (two channels), acetaldehyde, higher aldehyde, glyco-aldehyde, glyoxal\n\n• Updated reaction products and yields for several reactions\n\n• An additional reaction (Amedro et al., 2020): NO2 + OH + H2O = HNO3 + H2O; H2O is more effective as a third body than N2 or O2 and the reaction is more effective in humid regions.\n\n• No changes in emissions are needed for CB6r5\n\n**Significance and Impact**:\n\nModel simulations were completed with the CB6r3 and CB6r5 over the continental United States for a winter (January) and a summer (July) month in 2016. The update increases monthly mean ozone in both month (Figure 1); however, it also decreases ozone over some areas by small margin. Overall, the impacts of the update on model predictions are small. The impacts are slightly larger in summer than those in winter. It affects Model Bias both at AQS and CASTNET sites (Figure 2) by small margins.\n\n![image](https://user-images.githubusercontent.com/17162838/172222534-0323ac35-1cc7-490a-a43a-827062182504.png)\n\nFigure 1: Impact of CB6r5 on monthly mean ozone\n\n![image](https://user-images.githubusercontent.com/17162838/172222590-a19d6f4e-bba6-46e7-b9e4-4eff003c3f7f.png)\n\nFigure 2: Impact of CB6r5 on monthly mean Model Bias at AQS and CASTNET sites\n\n**References**:\n1. Yarwood, G.; Shi, Y.; Beardsley, R., 2020. Impact of CB6r5 mechanism changes on air pollutant modeling in Texas. Final Report for the Texas Commission on Environmental Quality, Work Order No. 582-20-11221-014.\n2. Amedro, D., Berasategui, M., Bunkan, A. J. C., Pozzer, A., Lelieveld, J., and Crowley, J. N.: Kinetics of the OH + NO2 reaction: effect of water vapour and new parameterization for global modelling, Atmos. Chem. Phys., 20, 3091–3105, https://doi.org/10.5194/acp-20-3091-2020, 2020.\n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#731](https://github.com/USEPA/CMAQ/commit/deb5b42cdd0041549a4aa5b8e6d069f2b75c203d) | [PR#731](https://github.com/USEPA/CMAQ_Dev/pull/731) | \n\n\n### Simple Halogen Chemistry Update\n\n[Golam Sarwar](sarwar.golam.email@epa.gov), U.S. Environmental Protection Agency \n\n**Type of update**: Science Update \n\n**Release Version/Date**: CMAQv5.4\n\n**Description**: Several changes were made to the simple halogen chemistry which are described below:\n\nFirst change:\n\nA simple halogen mediated first order ozone loss was previously developed by using hemispheric CMAQ results obtained without and with detailed bromine/iodine chemistry. The detailed bromine/iodine chemistry has recently been updated and hemispheric model simulations were completed without and with the updated bromine/iodine chemistry for 2016. The simple halogen mediated first order ozone loss is re-derived using the annual hemispheric CMAQ results obtained without and with full bromine/iodine chemistry. The revised halogen mediated first-order rate constant for ozone loss:\n\nk_O3 (P) = min⁡ ( 2.0×10E-06, 6.7006×10E-11 exp(10.7435×P)+ 3.4153×10E-8 exp(-0.6713×P) )\n\nWhere kO3 (s-1) is the first-order rate constant and P is the atmospheric pressure (atm). It is applied to grid-cells over oceanic areas. The revised halogen mediated first-order rate constant for ozone loss is lower than the previous value.\n\nSecond change:\n\nOcean files are generated using spatial allocator. Winston Hao of New York Department of Environmental Conservation reported that ocean file generated by the spatial allocator may occasionally contain some tiny (~1E-09) negative and positive values for SURF and OPEN near state borders. Simple halogen chemistry is activated when OPEN+SURF value in any grid-cell is positive (>0.0). The presence of tiny positive SURF and OPEN values activates the simple halogen chemistry over land and reduces ozone. CMAQ has a check for negative values of OPEN and SURF which are reset to 0.0 as follows (centeralized_io_module.F):\n\nWHERE ( ocean .LT. 0.0 ) ocean = 0.0 ! ensure values are nonnegative\nWHERE ( szone .LT. 0.0 ) szone = 0.0 ! ensure values are nonnegative\n\nTo avoid the activation of the simple halogen chemistry when tiny positive values are present, the existing checks are revised so that any negative and small positive values are reset to 0.0 as follows:\n\nWHERE ( ocean .LT. 0.001 ) ocean = 0.0 ! ensure values are greater than 0.001\nWHERE ( szone .LT. 0.001 ) szone = 0.0 ! ensure values are greater than 0.001 \n\nThird change:\n\nThe condensed halogen chemistry is activated when OPEN+SURF value in any grid-cell > 0.001; otherwise it is inactive. When the condensed halogen chemistry is active, halogen mediated ozone loss occurs with a prescribed first order rate constant. In the existing implementation, the prescribed first order rate constant does not vary with the values of OPEN+SURF. Values of OPEN+SURF is 1.0 over open ocean; however, values can be less than 1.0 near coastal areas. In the updated implementation, the prescribed first order rate constant is multiplied by the value of OPEN+SURF to account for the halogen mediated ozone loss. The full extent of the halogen mediated ozone loss occurs over open ocean since OPEN+SURF = 1.0 over such areas. In contrast, impact of the halogen mediated ozone loss is reduced over coastal areas since OPEN+SURF < 1.0 over such areas. SEAICE can be present in some grid-cells. The presence of SEAICE was previously used to simply turn-on or turn-off the condensed halogen chemistry. It is now included in the calculation of the halogen mediated rate constant.\n\nExisting implementation of the condensed halogen chemistry:\n\nk = prescribed first order halogen mediated rate constant when OPEN+SURF > 0.001 and no SEAICE is present.\nk = 0 when OPEN+SURF ≤ 0.001 or SEAICE is present\n\nUpdated implementation of the condensed halogen chemistry:\n\nk = (OPEN + SURF - SEAICE) × prescribed first order halogen mediated rate constant when OPEN+SURF > 0.001\nk = 0 when OPEN+SURF ≤ 0.001\n\n\n**Significance and Impact**: \n\nFirst change:\n\nModel sensitivity runs were completed using cb6r3_ae7_aq chemical mechanism with the existing and updated simple first order ozone loss for the continental US domain for a period of 9-days in summer (June 22-30, 2016). The revised simple first order ozone loss increases the average ozone over seawater and coastal areas by up to 1.5 ppbv. Impact is higher over seawater than over coastal area. Impact over the interior portion of the domain is negligible. \n\n![image](https://user-images.githubusercontent.com/2692799/167717635-e1aa5591-64ca-4a59-8de0-d7a8294f5051.png) \n**Figure 1: Impact of the updated simple halogen chemistry on O3**\n\nSecond change:\n\nModel sensitivity runs were completed using the existing and updated checks for OPEN and SURF values for a 10-day period in summer. Model with updated checks for OPEN and SURF values has only small impacts on predicted results. The mean difference in O3 concentrations during the 10-day period are shown in Figure 2. Note that the ocean file used in this test does not contain any tiny positive values along state borders; hence the problem reported by a CMAQ user does not show up in the model results.\n\n![image](https://user-images.githubusercontent.com/2692799/167717666-bf85d529-f378-4d20-83e8-02680a05c4c4.png) \n**Figure 2: Impact of using a threshold value of 0.001 for OPEN and SURF values on O3**\n\nThird change:\n\nTwo different model simulations were completed using the existing and updated implementation of the condensed halogen chemistry for 10 days in summer (June 21 - June 30, 2016). It employed 12-km horizontal grid resolution with 35 vertical layers. The difference in O3 concentrations (updated – existing implementation) is shown in Figure 3. Model with the updated implementation does not have any impact on O3 over open ocean. However, it increases O3 over coastal areas when OPEN+SURF < 1.0. \n\n![image](https://user-images.githubusercontent.com/2692799/167717690-4e217cf9-5432-4f2d-8ed4-50a269f156e5.png) \n**Figure 3: Impact of the updated implementation of halogen chemistry on O3**\n\n**References**: \n\n1.\tSarwar, G.; Gantt, B.; Foley, K.; Fahey, K.; Spero T. L.; Kang, D., Mathur, Rohit M., Hosein F.; Xing, J.; Sherwen, T.; Saiz-Lopez, A., 2019: Influence of bromine and iodine chemistry on annual, seasonal, diurnal, and background ozone: CMAQ simulations over the Northern Hemisphere, Atmospheric Environment, 213, 395-404.\n2.\tSarwar, G.; Gantt, B.; Schwede, D.; Foley, K.; Mathur, M.; Saiz-Lopez, A., 2015: Impact of enhanced ozone deposition and halogen chemistry on tropospheric ozone over the Northern Hemisphere, Environmental Science & Technology, 49(15):9203-9211.\n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#712](https://github.com/USEPA/CMAQ/commit/33a020e2ad4ce8fbf0ce2982e2ab139017afd71f) | [PR#712](https://github.com/USEPA/CMAQ_Dev/pull/712) |\n|[Merge for PR#784](https://github.com/USEPA/CMAQ/commit/c197c5d98b0f3218092a2c2b2050b3b27c95f138) | [PR#784](https://github.com/USEPA/CMAQ_Dev/pull/784) | \n|[Merge for PR#870](https://github.com/USEPA/CMAQ/commit/b26adbc5c00f1ebd5f2361c13cf82c437bac9ccd) | [PR#870](https://github.com/USEPA/CMAQ_Dev/pull/870) | \n\n\n### DMS Chemistry\n\n[Golam Sarwar](sarwar.golam.email@epa.gov), U.S. Environmental Protection Agency \n\n**Type of update**: New Feature \n\n**Release Version/Date**: CMAQv5.4\n\n**Description**: \n\nDimethyl sulfide (DMS) chemistry was previously added in the hemispheric CMAQ model. The details of the chemistry, emissions and their impact on model results over the Northern Hemisphere are described in Zhao et al. (2021). Here, DMS chemistry is combined with cb6r5 chemical mechanism and implemented into the regional CMAQ model. The DMS chemistry consists of 2 chemical reactions with OH, 1 reaction with NO3, and 1 reaction with Cl. \n\nDMS + OH = SO2 + MEO2 + FORM (abstraction channel)\n\nDMS + OH = 0.75 × SO2 + 0.25 × MSA + MEO2 (addition channel)\n\nDMS + NO3 = SO2 + HNO3 + MEO2 + FORM\n\nDMS + Cl = 0.86 × SO2 + 0.14 × MSA + MEO2 + 0.45 × FORM + 0.45 × HCl + 0.55 ×ClO\n\nThese reactions produce SO2 which is then oxidized into sulfate via gas-phase and aqueous-phase chemical reactions. DMS emissions from ocean are calculated using the gas transfer velocity and climatological DMS concentrations in seawater reported by Lana et al. (2011).\n\n**Significance and Impact**: \n\nModel sensitivity simulations were completed using cb6r5_ae7_aq chemical mechanism without and with the DMS chemistry over the continental US domain for January and July in 2016. DMS chemistry enhances SO2 over seawater and adjacent land areas by 0-45 pptV in January and 0-60 pptV in July (Figure 1). It enhances sulfate over seawater and adjacent land areas by 0-0.2 μg/m3 in January and 0-0.7 μg/m3 in July (Figure 2). Impact over the interior portion of the modeling domain is generally small.\n\nImpact of the DMS chemistry on model performance was calculated using data from all networks (Figure 3). It can affect Normalized Mean Bias for sulfate at CASTNET, CSN and IMPROVE networks. However, the impacts are generally small when all sites are considered for calculating Normalized Mean Bias. Impacts on Normalized Mean Bias can be higher in coastal areas. It’s impact on ozone is small (< ±0.3 ppb) and impact on model performance is negligible.\n\n\n![image](https://user-images.githubusercontent.com/2692799/167717457-8bb2e2dc-e246-49d5-adaf-93a9283eca35.png)**Figure 1: (a) mean SO2 without DMS chemistry in January (b) impact of DMS chemistry on SO2 in January (c) mean SO2 without DMS chemistry in July (d) impact of DMS chemistry on SO2 in July**\n\n![image](https://user-images.githubusercontent.com/2692799/167717484-b1c40b51-be9d-4fec-bb8d-d5e7c0ae1a3d.png)**Figure 2: (a) mean sulfate without DMS chemistry in January (b) impact of DMS chemistry on sulfate in January (c) mean sulfate without DMS chemistry in July (d) impact of DMS chemistry on sulfate in July**\n\n![image](https://user-images.githubusercontent.com/2692799/167717507-36c144ad-1eef-4d26-a69c-7589d8dffa0d.png)**Figure 3: Normalized Mean Bias of sulfate without and with DMS chemistry (a) IMPROVE sites in January (b) CSN sites in January (c) CASTNET sites in January (d) IMPROVE sites in July (e) CSN sites in July (f) CASTNET sites in July** \n\nExisting ocean files will not work with the DMS chemistry; new ocean files with DMS concentrations in seawater are needed and can be generated using a new python based tool.\n\n**References**: \n\n1. Zhao, J., Sarwar, G., Gantt, B., Foley, K., Kang, D., Fahey, K., Mathur, R., Henderson, B. H., Pye, H. O. T., Zhang, Y., Saiz-Lopez, A., 2021. Impact of dimethylsulfide chemistry on air quality over the Northern Hemisphere, Atmospheric Environment, 244, 117961:1-10.\n2. Lana, A., Bell, T.G., Simó, R., Vallina, S.M., Ballabrera-Poy, J., Kettle, A.J., Dachs, J., Bopp, L., Saltzman, E.S., Stefels, J., Johnson, J.E., Liss, P.S., 2011. An updated climatology of surface dimethlysulfide concentrations and emission fluxes in the global ocean. Global Biogeochemical Cycles, 25, GB1004,doi:10.1029/2010GB003850.\n" }, { "path": "DOCS/Release_Notes/CMAQ-Release-Notes:-Chemistry:-Community-Regional-Atmospheric-Chemistry-Multiphase-Mechanism-(CRACMM).md", "content": "### Updated mechanism CRACMM2\n[Nash Skipper](mailto:skipper.nash@epa.gov) and [Havala Pye](mailto:pye.havala@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Science Update \n**Release Version/Date**: CMAQv5.5 \n\n\n\n**Description**: \nCRACMM2 includes several updates to CRACMM1. Many updates are intended to improve the representation of secondary formaldehyde (HCHO) in CRACMM. These include the incorporation of the AMORE v1.2 isoprene condensation into the primary CRACMM mechanism, updates to HCHO yields from monoterpenes, and the addition of styrene as a new explicit species. Some other opportunistic updates (mostly unrelated to formaldehyde) are changes to monoterpene nitrates that affect SOA formation and NOx recycling, the inclusion of emitted methane (ECH4), heterogeneous uptake of HO2 and NO3 radicals, and changes in how emissions of certain aromatic species are mapped to CRACMM species. CRACMM1 bug fixes noted below have also been incorporated into CRACMM2. \n\n**Significance and Impact**: \nFormaldehyde is a hazardous air pollutant (HAP) and is a major contributor of health risks from air toxics; however, it is biased low in CRACMM1 by about a factor of two. Formaldehyde performance should be improved to provide a more accurate estimate of risk from ambient exposure. Formaldehyde can also be sensed remotely from satellites and is often used (as a proxy for VOC abundance) along with satellite-based estimates of NO2 to diagnose ozone production regimes. Improvements to HCHO in CRACMM may allow for more meaningful comparisons between observed and modeled chemical regime. The updates in CRACMM2 also tend to increase ozone and decrease organic aerosol, particularly in the summer and particularly in the southeastern US. \n\n**References**: \nSkipper, T. N., D'Ambro, E. L., Wiser, F. C., McNeill, V. F., Schwantes, R. H., Henderson, B. H., Piletic, I. R., Baublitz, C. B., Bash, J. O., Whitehill, A. R., Valin, L. C., Mouat, A. P., Kaiser, J., Wolfe, G. M., St. Clair, J. M., Hanisco, T. F., Fried, A., Place, B. K., and Pye, H. O. T.: Role of chemical production and depositional losses on formaldehyde in the Community Regional Atmospheric Chemistry Multiphase Mechanism (CRACMM), EGUsphere, 2024, 1-34, https://doi.org/10.5194/egusphere-2024-1680, 2024.\n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#1095](https://github.com/USEPA/CMAQ/commit/5c9f5441b24efd94ad6be5ad939c5f6fc8af2980) | [PR#1095](https://github.com/USEPA/CMAQ_Dev/pull/1095) |\n\n### workaround for gcc incompatibility with CRACMM namelists\n[Nash Skipper](mailto:skipper.nash@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Script update \n**Release Version/Date**: CMAQv5.5 \n\n**Description**: Remove trailing comments in CRACMM species namelists when building CMAQ with gcc \n\n**Significance and Impact**: CRACMM uses trailing comments in the species namelists (e.g., `GC_cracmm2.nml`, `AE_cracmm2_nml`, and `NR_cracmm2.nml` files) for species metadata. If CMAQ is compiled with gcc, the model will crash at runtime because gcc does not allow trailing comments in namelist files. Previously if a user wanted to use CRACMM with gcc, they would have to either obtain versions of the namelist files without trailing comments from the CMAS Center or remove the trailing comments themselves. The removal of trailing comments in the namelist files has now been automated at build time if the `bldit_cctm.csh` script detects that a gcc compiler is used with a CRACMM mechansim. \n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n| [Merge for PR#1154](https://github.com/USEPA/CMAQ/commit/c31983b72a3049d708138da3f57227875333eb39) | [PR#1154](https://github.com/USEPA/CMAQ_Dev/pull/1154) | \n\n\n### Bug fixes for CRACMM1 biogenic emissions using MEGAN\n[Nash Skipper](mailto:skipper.nash@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Bug Fix \n**Release Version/Date**: CMAQv5.5 \n\n**Description**: \nThe following fixes have also been implemented for CRACMM1 biogenic emissions using MEGAN:\n* Fix emission mapping of CO when using MEGAN biogenic emissions. In CMAQv5.4 CO emissions were mapped to species SLOWROC for CRACMM1. Note: other CMAQ mechanisms were not affected by this CO mapping issue.\n* Add mapping of semivolatile ROC species included in MEGAN biogenic emissions to CRACMM1 DESID file. In CMAQv5.4 emissions of these species would not be added because there was not an existing rule in the DESID file to map them to a model species.\n\n**Significance and Impact**: \nThese updates only impact applications that use the CRACMM1 or CRACMM1AMORE chemical mechanisms and the MEGAN biogenic emissions model. Applications using BEIS or using any other chemical mechanism are not impacted.\n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#1095](https://github.com/USEPA/CMAQ/commit/5c9f5441b24efd94ad6be5ad939c5f6fc8af2980) | [PR#1095](https://github.com/USEPA/CMAQ_Dev/pull/1095) | \n\n### Bug fixes for CRACMM1 IEPOX uptake rate\n[Kathleen Fahey](mailto:fahey.kathleen@epa.gov) and [Nash Skipper](mailto:skipper.nash@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Bug Fix \n**Release Version/Date**: CMAQv5.5 \n\n**Description**: \nA typo in the rate of sulfate catalyzed IEPOX where the nucleophile was HSO4 has been corrected. The incorrect rate resulted in excessive uptake of IEPOX through this pathway.\n\n**Significance and Impact**: \nThese updates only impact applications that use the CRACMM1 or CRACMM1AMORE chemical mechanisms. The impact of this fix is to increase sulfate (as less sulfate is taken up as organosulfate) and to decrease organic aerosol.\n\n\n**References**: \nVannucci, P., K. Foley, B. Murphy, C. Hogrefe, R. Cohen and H. Pye: Temperature-dependent composition of summertime PM2.5 in observations and model predictions across the Eastern U.S., ACS Earth Space Chem. 2024, 8, 2, 381–392. [https://doi.org/10.1021/acsearthspacechem.3c00333](https://doi.org/10.1021/acsearthspacechem.3c00333)\n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#976](https://github.com/USEPA/CMAQ/commit/53d0884fc138ab2cb48cf733de961be448b4395d) | [PR#976](https://github.com/USEPA/CMAQ_Dev/pull/976) |\n\n\n### CRACMM DESID Input File Updates \n[Karl Seltzer](mailto:seltzer.karl@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Input File Update \n**Release Version/Date**: CMAQv5.5 \n**Description**: Added ROC-ALK series of \"Emission Surrogates\" to ensure emission input files with and without the \"ALK\" identifier are processed/emitted. \n**Significance and Impact**: Impacts results (SOA and PM2.5 predictions) if emissions were prepared using ROC-ALK species names. This fix is needed to propagate ROC-ALK emissions to the proper model species. Users should check at least one processor log to ensure emissions were properly mapped. Depending on the emission preparation method, ROC-ALK may or may not be populated. Newer versions of emissions prepared with gspro files created by [S2S-Tool](https://github.com/USEPA/S2S-Tool) are more likely to use consistent names. \n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#970](https://github.com/USEPA/CMAQ/commit/17ce8e23b04ddec4fcf32dd20b55d5c8902d6c29) | [PR#970](https://github.com/USEPA/CMAQ_Dev/pull/970) |\n\n### The Community Regional Atmospheric Chemistry Multiphase Mechanism (CRACMM) Version 1.0\n[Havala O. T. Pye](mailto:pye.havala@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Science Update \n**Release Version/Date**: CMAQv5.4 \n**Description**: The Community Regional Atmospheric Chemistry Multiphase Mechanism (CRACMM) builds on the history of the Regional Atmospheric Chemistry Mechanism, Version 2 (RACM2) and aims to couple gas- and particle-phase chemistry by treating the entire pool of atmospheric reactive organic carbon (ROC) relevant to present-day emissions. CRACMM species were developed to represent the total emissions of ROC, considering the OH reactivity, ability to form ozone and secondary organic aerosol (SOA), and other properties of individual emitted compounds. The chemistry of CRACMM, which includes autoxidation, multigenerational oxidation, and the treatment of semivolatile and intermediate volatility compounds, was built using a variety of sources including literature and other mechanisms (MCM, GECKO, and SAPRC18/mechgen). Compared to RACM2, the number of traditional volatile organic carbon species is reduced and the number of oxygenated and semivolatile to intermediate volatility precursors are increased in the mechanism. In addition, explicit hazardous air pollutants (toluene; 1,3-butadiene; and acrolein) are added to better characterize exposures relevant for human health. \n\nCRACMMv1 is available in two versions: base CRACMMv1 and CRACMMv1AMORE. The development of base CRACMMv1 is described by Pye et al. (2022) and the application of CRACMMv1 within CMAQ to the northeast U.S. in summer 2018 as well as comparison with other mechanisms is presented by Place et al. (in prep.). CRACMMv1AMORE replaces the base isoprene chemistry of CRACMMv1 (which was largely ported from RACM2) with a graph theory-based condensation of a detailed isoprene mechanism developed by Prof. Faye McNeill's team at Columbia University. The AMORE version is documented in work by Wiser et al. (2022).\n\nOne feature of CRACMM is the specification of representative structures for all species in the mechanism. Metadata, including a representative compound name, description of explicit vs lumped nature, a [SMILES string](https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system), and DTXSID identifier in the [EPA Chemicals Dashboard](https://comptox.epa.gov/dashboard/) (if available) are appended to the species namelists (GC, NR, and AE). This information is leveraged to determine conservation of mass across chemical reactions (see the CHEMMECH README in the UTIL directory), determination of species properties such as solubility, and to communicate how species are conceptualized. Representative compound information from the namelists are matched with species descriptions (a verbose string description in cracmm1_speciesdescription.csv) using python to provide markdown file descriptions of the mechanism species. See the CMAQ Users' Guide Chapter 6 for more information on CRACMM.\n\nSupporting data for CRACMM, including information on how to map emissions to the mechanism, will be available in a [CRACMM github repository](https://github.com/USEPA/CRACMM). Information on getting started with CRACMM is available in [a tutorial](../Users_Guide/Tutorials/CMAQ_UG_tutorial_CRACMM.md).\n\n**Significance and Impact**: CRACMM couples SOA formation with radical chemistry and updates the representation of a number of chemical systems. CRACMM is being released as a research mechanism so that it may undergo testing in various applications with the aim of making it the default chemistry option in the future. A fact sheet describing the CRACMM effort is available on [EPA's CMAQ website](https://www.epa.gov/cmaq/cmaq-fact-sheets).\n\n**References**: \n1. Pye, H. O. T., Place, B. K., Murphy, B. N., Seltzer, K. M., D'Ambro, E. L., Allen, C., Piletic, I. R., Farrell, S., Schwantes, R. H., Coggon, M. M., Saunders, E., Xu, L., Sarwar, G., Hutzell, W. T., Foley, K. M., Pouliot, G., Bash, J., and Stockwell, W. R.: Linking gas, particulate, and toxic endpoints to air emissions in the Community Regional Atmospheric Chemistry Multiphase Mechanism (CRACMM) version 1.0, Atmos. Chem. Phys. Discuss. [preprint], https://doi.org/10.5194/acp-2022-695, in review, 2022.\n2. Place, B. K., Hutzell, W. T., Appel, K. W., Farrell, S., Valin, L., Murphy, B. N., Seltzer, K. M., Sarwar, G., Allen, C., Piletic, I., D'Ambro, E., Saunders, E., Simon, H., Torres-Vasquez, A., Pleim, J., Schwantes, R., Coggon, M., Xu, L., Stockwell, W. R., and Pye, H. O. T.: Initial evaluation of the CRACMMv1.0 chemical mechanism: Surface ozone predictions across the Northeast US summer 2018 in CMAQ, in preparation for Atmospheric Chemistry and Physics.\n3. Wiser, F., Place, B., Sen, S., Pye, H. O. T., Yang, B., Westervelt, D. M., Henze, D. K., Fiore, A. M., and McNeill, V. F.: AMORE-Isoprene v1.0: A new reduced mechanism for gas-phase isoprene oxidation, Geosci. Model Dev. Discuss. [preprint], https://doi.org/10.5194/gmd-2022-240, in review, 2022.\n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#908](https://github.com/USEPA/CMAQ/commit/7ea4c901f754376ccdb1ad8b0b82c4a5efd3a6ba) | [PR#908](https://github.com/USEPA/CMAQ_Dev/pull/908) |\n\n" }, { "path": "DOCS/Release_Notes/CMAQ-Release-Notes:-Chemistry:-Gas-Phase-Chem-Solvers.md", "content": "### Tuning up the Gear Solver\n\n[William T. Hutzell](mailto:hutzell.bill@epa.gov), U.S. Environmental Protection Agency \n\n**Type of update**: Numerical Science Update \n**Release Version/Date**: v5.5 \n**Description**: The CCTM version of the smvgear solver is based on an optimized Gear for vectorized computers (Jacobson and Turco, 1994). It does not employ updates in a latter version by Jacobson called smvgearII. Two updates are adapted from smvgearII to use in CMAQ's smvgear solver to improve its computational efficiency.\n\nThe first update changes how to determine the absolute tolerance for testing convergence of a grid cell's concentrations. The method determines the absolute tolerance based on the fraction of chemistry species, _f0_, above a specific concentration (Jacobson, 1998). The concentration is determined from log10 intervals between a highest and lowest absolute tolerances allowed. Based on what the Jacobson (1998) used for tropospheric chemistry, the highest allowed tolerance is 100 times greater than the lowest allowed tolerance. For the CMAQ smvgear solver, the highest and lowest allowed tolerances are set to 10-7 and 10-9 ppm based on default absolute tolerance in the original smvgear solver, 10-9. Two environment variables, **GEAR_MAX_ATOL** and **GEAR_MIN_ATOL**, allow setting the highest and lowest allowed tolerances to difference values. Jacobson (1998) sets _f0_ to 0.4 times the number of chemistry species. Because this number had limited effects reducing runtime in the CMAQ model, this work sets _f0_ to 0.4 times the chemistry species above a minimum concentration that determine radical cycles and key species concentrations in the tropospheric chemistry, 10-12 ppm. The number also corresponds to the product of the default absolute and relative tolerances in the original smvgear solver. An environment variable, **GEAR_CONC_FLOOR**, allows setting the minimum concentration to a different value. \n\nThe second update taken from smvgearII changes the solver's Newton Iteration where it jumps to a higher order approximation. In addition to considering the number of iterations taken, the original smvgear considers the rate of decrease in prediction errors. The update drops the rate test and sets the maximim number of allowed iterations to 3 based on timing tests in the CMAQ model. The smvgearII solver uses 1 iteration.\n\n**Significance and Impact**: \n\nCCTM runtimes are reduced when the model uses the revised smvgear solver. For cb6r5_ae7_aq and cb6r5m_ae7_aq mechanisms, runtimes are reduced by factors greater than four. For the cracmm1_aq and saprc07tic_ae7i_aq mechanisms, the runtimes decrease around 25% against original smvgear solver. Tests show that the updated smvgear has runtimes averaging between 7% and 13% slower than the Rosenbrock (ros3) solver but this comparison against ros3 showed -6% to 28% range of relative differences in the sample of runtimes. The results imply that the revised solver is a more viable option for checking model predictions from ebi and ros3 solvers.\n\nChanges to the smvgear gas solver produce less than 0.1% normalized mean biases in prediction concentrations from the ros3 and the original smvgear solvers for most mechanism species. Exceptions occur for the cb6r5m_ae7_aq mechanism. Chlorine and iodine oxides show normalized mean biases up to several precent over the hemispheric domain during July 2018. I2O4 showed the greatest magnitude of difference with a Normalized mean biases had values around -7%.\n\n**References**: \nJacobson, M.Z. (1993). SMVGEAR (Version II) [Source Code], U.S. Copyright Office Registration No. txu 670-279 \nJacobson, M.Z. and Turco, R.P (1994). SMVGEAR: A sparse-matrix, vectorized gear code for atmospheric models. Atmospheric Environment 28(2), 273-284 pp. \nJacobson, M.Z. (1998). Improvement of SMVGEAR II on vector and scalar machines through absolute error tolerance control. Atmospheric Environment 32(4), 791-796 pp.\n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#954](https://github.com/USEPA/CMAQ/commit/defef195f15d828cdf47d222866f79b855684361) | [PR#954](https://github.com/USEPA/CMAQ_Dev/pull/954) | \n\n\n### EBI Solver Update\n\n[Golam Sarwar](mailto:sarwar.golam@epa.gov), U.S. Environmental Protection Agency \n\n**Type of update**: Science Update \n**Release Version/Date**: v5.4 \n**Description**: \n\nCMAQ provides three different gas-phase chemistry solvers: the Euler Backward Iterative (EBI), the Rosenbrock and the Gear solvers. The EBI method is not a generalized solver and needs to be developed for each chemical mechanism. However, it is generally faster than the Rosenbrock and the Gear solvers. CMAQ uses following procedure for determining convergence in the EBI solver:\n\no\tAERROR( S ) = ABS( YC(S)-YCP(S) )\n\no\tRERROR( S ) = AERROR( S ) / ABS( YC(S)+YCP(S) )\n\nWhere, AERROR = absolute error, RERROR = relative error, YC = species concentrations (initial), YCP = species concentrations (updated). The use of such a convergence criterion can utilize computational time in finding a solution at very low concentrations without improving predicted concentrations. CAMx uses a similar but slightly different approach at very low concentrations. Here, we revise the convergence criteria in CMAQ following the procedure used in CAMx. At very low concentrations, model uses prescribed value for determining relative error and can potentially save some computational time.\n\no\tAERROR( S ) = MAX( ABS( YC(S)-YCP(S) ), 1.0D-30 )\n\no\tRERROR( S ) = AERROR( S ) / MAX(1.0D-08, ABS( YC(S)+YCP(S) ) )\n\n\n**Significance and Impact**: \n\nThese updates are implemented in solvers for all mechanisms and have been tested in cb6r3_ae7_aq, cb6r5_ae7_aq, racm2_ae6_aq, saprc07tic_ae7i_aq. Model sensitivity runs were completed using existing and updated convergence criteria for a 10-day period in summer using 128 processors. Model with updated convergence criteria shows some improvement in model runtime without any substantial impact on model results. For example, model with cb6r3_ae7_aq shows a runtime improvement of 2%, cb6r5_ae7_aq shows an improvement of 1%, racm2_ae6_aq shows an improvement of 3%, and saprc07tic_ae7i_aq shows an improvement of 4%. \n\nModel with updated convergence criteria has only small impacts on model results. The largest difference in hourly predicted ozone concentrations during the 10-day period with cb6r3_ae7_aq and racm2_ae6_aq are shown in Figure 1. Model results with other mechanisms are also similar and are not shown. \n\n\n![image](https://user-images.githubusercontent.com/17162838/172241106-c248b1c4-4ed6-47dc-b412-c75ac0ad2fac.png)\n\nFigure 1: Impact of updated convergence criteria in EBI solver on predicted ozone\n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#782](https://github.com/USEPA/CMAQ/commit/e8f37b49d3f67023b874d4cd5d299d9dfd4345e0) | [PR#782](https://github.com/USEPA/CMAQ_Dev/pull/782) | \n" }, { "path": "DOCS/Release_Notes/CMAQ-Release-Notes:-Chemistry:-Photolysis.md", "content": "### Remove compiler error using table option of phot module \n[William T. Hutzell](mailto:hutzell.bill@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Bug Fix \n**Release Version/Date**: 5.5 \n\n**Description**: The pull request removes the compiler errors encountered when building CMAQ or WRF-CMAQ with the table option for calculating photolysis frequencies. The compiler error occurs because Megan biogenic emissions uses a FORTRAN module, `PHOT_MET_DATA`, only available in the inline option for phot. The code replaces the `PHOT_MET_DATA` with `PHOT_MOD` . Both table and inline option have a PHOT_MOD FORTRAN module. The code fix made minor changes to both versions of PHOT_MOD.F so Megan has access to the needed data.\n\n**Significance and Impact**: The pull request restores a supported option for building CCTM in the CMAQ version 5.5.\n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#1054](https://github.com/USEPA/CMAQ/commit/93df9b26e93c61e72b974589a27798468b997af7) | [PR#1054](https://github.com/USEPA/CMAQ_Dev/pull/1054) | \n \n\n### Calculating of Photolysis Frequencies: New Method for Aerosol Optical Properties \n[William T. Hutzell](mailto:hutzell.bill@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Science Update, Documentation, New Feature \n**Release Version/Date**: CMAQv5.5\n\n**Description**: The update accomplish the below goals regarding the optical properties used in the the inline option for calculating photolysis frequencies. \n\n1. Add a new method for determining the optical properties. The new method should better match properties determined by solving Mie Scattering Theory for spherical particles than the default method (FastOptics) but produce comparable model runtimes.\n2. Simplify how the model runtime options set how aerosol optical properties are calculated. The change combines the two options currently used in one option.\n3. Change the contents in the photolysis diagnostic files one and three. The change intends to add a way evaluate the optical propertes against observations or theory. \n \n**Significance and Impact**: The inline module for calculating photolysis frequencies has a new option for aerosol optics properties for their effect on the frequencies. The option better matches solving Mie Scattering Theory for uniformly mixed spherical aerosols but has a lower computational cost. The module's diagnostics provide an new output for evaluate model results. The update does not affect model result because FastOptics remain the default method. \n\n**References**: \nAndrews, E., Ogren, J. A., Kinne, S., and Samset, B.: Comparison of AOD, AAOD and column single scattering albedo from AERONET retrievals and in situ profiling measurements, Atmos. Chem. Phys., 17, 6041–6072, https://doi.org/10.5194/acp-17-6041-2017, 2017. \n\nFast, J. D., Gustafson Jr., W. I., Easter, R. C., Zaveri, R. A., Barnard, J. C., Chapman, E. G., Grell, G. A. and Peckham, S. E. Evolution of ozone, particulates, and aerosol direct radiative forcing in the vicinity of Houston using a fully coupled meteorology-chemistry-aerosol model, J. Geophys. Res., 111, D21305, [https://doi.org/10.1029/2005JD00672](https://doi.org/10.1029/2005JD006721), 2006.\n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#1034](https://github.com/USEPA/CMAQ/commit/8dbab2dd301bbc148c707ed0b1659df2b3c6e850) | [PR#1034](https://github.com/USEPA/CMAQ_Dev/pull/1034) | \n\n### Correct sub-grid cloud effect on in-line photolysis frequencies\n[[William T. Hutzell](mailto:hutzell.bill@epa.gov)], U.S. Environmental Protection Agency \n**Type of update**: Bug Fix \n**Release Version/Date**: CMAQv5.5 \n\n**Description**: The pull request addresses a code error in the inline option for calculating photolysis frequencies. The option includes effects from sub-grid or convective clouds predicted by the ACM cloud algorithm. A code error causes incorrectly calculating total and cloud optical depths for grid cells that have convective clouds because the layer thicknesses are set to zero for the portion of optical depths below the model top. The result overestimates photolysis frequencies where convective clouds are predicted. \n\n**Significance and Impact**: Over the hemispheric domain using the cb6r5m_ae7_aq mechanism, a simulation from June 21 to July 1, 2018 show daily ozone concentrations change plus or minus several ppb at the surface on July 1st. The large changes were increases over central Asia. \nOver the 12US1 domain, simulations covered the same period and used boundary conditions from the corrected hemispheric simulations. The code correction predominately decreased daily ozone at the surface on July 1st by several. The large decreases occurred over the southwestern US. The updated boundary conditions appear the likely cause for largest ozone decreases because they did not occur when using uncorrected boundary conditions. \n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#1045](https://github.com/USEPA/CMAQ/commit/7a31e6c4dd12a45b8aebcc941ab784ca83e6603a) | [PR#1045](https://github.com/USEPA/CMAQ_Dev/pull/1045) | " }, { "path": "DOCS/Release_Notes/CMAQ-Release-Notes:-Chemistry:-Regional-Atmospheric-Chemistry-Mechanism-(RACM).md", "content": "### Bug Fixes to Regional Atmospheric Chemistry Mechanism Version 2 (RACM2)\n\n[Golam Sarwar](mailto:sarwar.golam@epa.gov), U.S. Environmental Protection Agency \n\n**Type of update**: Bug Fix \n\n**Release Version/Date**: CMAQv5.4 \n\n**Description**: \n\nTwo different types of bugs are fixed in RACM2:\n\nThe first update:\n\nCMAQv5.4 has two options for calculating in-line biogenic emissions: BEIS and MEGAN. For BEIS, CMAQ uses an emission profile for calculating in-line biogenic emissions. Xiaoyang Chen at Northeastern University notified that CMAQ (BEIS) does not generate any monoterpene emissions when in-line option is enabled with RACM2. Emission profile “B10RD” is currently used for RACM2; however, it does not contain correct mapping which results in no monoterpene emissions. An emission profile “B3V10” was generated when RACM2 was initially implemented in CMAQ which contains correct mapping of model species. The model is revised to remove emission profile “B10RD” and add the emission profile “B3V10”. Biogenic emissions calculation using MEGAN does not use this profile and works properly.\n\nThe second update:\n\nRACM2 in CMAQv533 contains several bugs related to kinetics which are now corrected.\n(1)\tRate constant for reaction #R40 is missing a negative sign (mech_racm2_ae6_aq.def)\n(2)\tBill Stockwell identified that raw data files for HCHO photolysis contain errors and provided updated raw data files (HCHO_MOL_RACM2 and HCHO_RAD_RACM2)\n(3)\tCSQY_DATA.F contains an initialization problem (CSQY_DATA.F)\n\n**Significance and Impact**: \n\nThe first update:\n\nModel tests were completed with the revised emissions profile. It generates correct biogenic emissions for RACM2 using BEIS.\n\nThe second update:\n\nModel sensitivity runs were completed using the existing and updated models (by correcting kinetics information) for 10 days in summer. Ratios of predicted 10-day mean HCHO photolysis rate coefficients with the existing and updated models are shown in Figure 1. For HCHO photolysis, the updated model increases photolysis rate coefficients for the molecular channel [Figure 1(a)] while reducing the photolysis rate coefficients for the radical channel [Figure 1(b)]. \n\n![image](https://user-images.githubusercontent.com/17162838/172213812-1d5034fe-05fe-4f52-a31c-7dbab8b9b2b0.png)\n\nFigure 1: (a) Ratio of mean photolysis rate coefficient for the molecular channel of HCHO photolysis (values with updated model / values with existing model) (b) ratio of mean photolysis rate coefficients for the radical channel of HCHO photolysis (values with updated model / values with existing model) \n\nPredicted 10-day mean ozone concentrations with the existing model are shown in Figure 2(a) and differences in predicted mean ozone concentrations with the updated and existing models are shown in Figure 2(b). It has mixed impacts on predicted ozone. The update increases ozone over some areas while reducing it over other areas. \n\n![image](https://user-images.githubusercontent.com/17162838/172213855-b2f40c1e-8d7b-42a4-9057-2a3d2bb520a4.png)\n\nFigure 2: (a) Predicted 10-day mean ozone concentrations with the existing model (b) differences in predicted mean ozone concentrations with the updated and existing models (predictions with updated model – predictions with existing model) \n\nImpacts on other model species are also small. For example, differences in predicted mean sulfate concentrations with the updated and existing models are shown in Figure 3(a) and differences in predicted mean aerosol nitrate concentrations with updated and existing models are shown in Figure 3(b). Impacts on sulfate and aerosol nitrate concentrations are small.\n\n![image](https://user-images.githubusercontent.com/17162838/172213898-f0203dc9-e869-41e1-a43a-895634bbc7b2.png)\n\nFigure 3: (a) Differences in predicted mean sulfate concentrations with the updated and existing models (predictions with updated model – predictions with existing model) (b) differences in predicted mean aerosol nitrate concentrations with the updated and existing models (predictions with updated model – predictions with existing model)\n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#739](https://github.com/USEPA/CMAQ/commit/c6d10e71ce10c4b6d6ad2816da89c6ed977a06d4) | [PR#739](https://github.com/USEPA/CMAQ_Dev/pull/739) |\n|[Merge for PR#790](https://github.com/USEPA/CMAQ/commit/7eedde0e988a62e6ea9f8444927c7a9a82797731) | [PR#790](https://github.com/USEPA/CMAQ_Dev/pull/790) | " }, { "path": "DOCS/Release_Notes/CMAQ-Release-Notes:-Chemistry:-State-Air-Pollution-Research-Center-(SAPRC).md", "content": "### Removal of saprc07tic_ae6i_aq and saprc07tic_ae6i_aqkmti mechanisms\n\n[Golam Sarwar](sarwar.golam.email@epa.gov), U.S. Environmental Protection Agency \n\n**Type of update**: Model Clean-up\n\n**Release Version/Date**: CMAQv5.4\n\n**Description**: The saprc07tic_ae6i_aq and saprc07tic_ae6i_aqkmti mechanisms are no longer maintained and have been removed from the CMAQ code repository beginning with version 5.4. These mechanisms can still be accessed and run through previous CMAQ versions.\n\n" }, { "path": "DOCS/Release_Notes/CMAQ-Release-Notes:-Diagnostic-Options.md", "content": "# Diagnostic Options\n\n## Remove Uninitialized Variable in Column Model\n[William T. Hutzell](mailto:hutzell.bill@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Bug Fix \n**Release Version/Date**: CMAQv5.5 \n\n**Description**: When the GRID_NAME sets the model domain to a column model, _i.e., NCOLS and NROWS equal one_. The model unpredictably crashes with the below error message.\n\n NCVGT: : NetCDF: Index exceeds dimension bound\n *** ERROR ABORT in subroutine retrieve_time_de on PE 000\n Could not extract MET_CRO_3D file\n Abort(0) on node 0 (rank 0 in comm 0): application called MPI_Abort(MPI_COMM_WORLD, 0) - process 0\n\nThe error occurs because SDATE and STIME are uninitialized in sciproc.F and later used to interpolate the model grid's Jacobian. Uninitialized SDATE and STIME may have values outside the period covered by the METCRO3D file so the time interpolation fails. The code fix moves setting SDATE and STIME above the IF ( .NOT. COLUMN_MODEL ) block in sciproc.F. \n\n**Significance and Impact**: Allows running CCTM for a column domain without unpredictable crashes. Using a column model can speed up developing code or debugging species name-lists and emissions control files. \n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#1072](https://github.com/USEPA/CMAQ/commit/277c01c4b82b86a021949a72b3e387449cf68eda) | [PR#1072](https://github.com/USEPA/CMAQ_Dev/pull/1072) | \n\n## Fix bug in ELMO calculation of PMF_OC, PMF_NCOM \n[Chris Nolte](mailto:nolte.chris@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Bug Fix \n**Release Version/Date**: CMAQv5.5 \n\n**Description**: This fixes a bug in the calculation of the ELMO parameter PMF_OC, which inadvertently subtracts off non-carbonaceous mass that should instead be skipped. Because PMF_NCOM is calculated using the value of PMF_OC, this bug affects PMF_NCOM as well. \n\n**Significance and Impact**: This change affects only PMF_OC and PMF_NCOM in the ELMO/AELMO outputs. There is no change in CONC/ACONC, CGRID, or deposition outputs. If using the default treatment of semivolatile organics, in which POC and PNCOM are mapped to VSVPO1, VSVPO2, VSVPO3, and VIVPO1 (see CMAQ_Control_DESID_.nml), then the impact is minimal. However, if using the older method of treating POA as nonvolatile, with POC mapped to APOC and PNCOM mapped to APNCOM, then this bug has a significant impact on PMF_OC and PMF_NCOM. \n \n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#1104](https://github.com/USEPA/CMAQ/commit/3857d63aa00c2fbdd8278ccedc2c4986acc24f0e) | [PR#1104](https://github.com/USEPA/CMAQ_Dev/pull/1104) | \n\n## Correct calculation of PM1, PM2.5, and PM25to10 as well as speciated NA, K, CA, and MG in ELMO\n[Ben Murphy](mailto:murphy.ben@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Bug Fix \n**Release Version/Date**: CMAQv5.5 \n \n**Description**: The summations within ELMO for nonexplicit coarse-mode cations (NA, K, CA, and MG) into output aerosol variables with hard size cutoffs (PM1, PM25, and PM25to10) were incomplete. This issue was identified on the CMAS User Forum [https://forum.cmascenter.org/t/incorrect-pm25-na-calculation-in-the-elmo-module/4615](https://forum.cmascenter.org/t/incorrect-pm25-na-calculation-in-the-elmo-module/4615) \n\nA second correction also fixes a bug in the calculation of the ELMO parameter PM2.5 and PM2.5 species. To calculate the mass of particulate up to a hard size cutoff, the subroutine GET_AERO_INLET is called for each mode, with the second input parameter specifying the mode to be calculated. In CMAQv5.4, the variable IM was used, but the correct variable should be IMODE.\n\n**Significance and Impact**: This change is important for a complete representation of PM25 cations. Significant impacts on PM25_NA (~33%), PM25_CA (~16%), PM25_MG (~27%), and PM25_K (9%) in tests on the southeast US benchmark domain. \n\n**PM2.5 Sodium**\n![Murphy_PM_Sodium](https://github.com/user-attachments/assets/3281f30b-e914-4c5f-a8cc-da6ebb9b2282)\n\n**PM2.5 Calcium**\n![Murphy_PM_Calcium](https://github.com/user-attachments/assets/02609bbb-d56c-4c2e-bda3-93da53e32fe3)\n\n**PM2.5 Magnesium**\n![Murphy_PM_Magnesium](https://github.com/user-attachments/assets/a459a040-a2de-43b7-a981-41d8c314f2ea)\n\n**PM2.5 Potassium**\n![Murphy_PM_K](https://github.com/user-attachments/assets/8f546043-686d-46ee-be8b-c023e2729d4e)\n\n**PM2.5-10 Sodium**\n![Murphy_PM_Sodium_II](https://github.com/user-attachments/assets/5881c212-1206-4a41-ba0f-999bcaafaa93)\n\nThe mode parameter fix for the calculation of mass with a hard diameter cut-off has important impacts on PM2.5 predictions across the model domain, and the specific impact depends on fraction of the total mass, or speciated mass, that is present in each of the Aitken, Accumulation and Coarse modes. The predictions for fine-mode particulate (PMF) are unaffected as the GET_AERO_INLET routine is not called for these cases. \n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#1078](https://github.com/USEPA/CMAQ/commit/52a12a0ac08237a871998996873dd57486833891) | [PR#1078](https://github.com/USEPA/CMAQ_Dev/pull/1078) | \n\n## Accurate output of gas-phase species in mass units\n[Ben Murphy](mailto:murphy.ben@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Bug Fix \n**Release Version/Date**: CMAQv5.5 \n \n**Description**: Although ELMO was correctly outputting gas species mixing ratios, ELMO had an error outputting these variables from the GC or NR lists if mass units were requested. This PR resolves the issue and adds the ability to output NH3 and HNO3 in mass units via ELMO. \n\n**Significance and Impact**: Gas-phase Benzo-a-pyrene was yielding garbage output from ELMO. \n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#1008](https://github.com/USEPA/CMAQ/commit/f1d6b57dc10c2a02dffc60bd3ace522c40e677b6) | [PR#1008](https://github.com/USEPA/CMAQ_Dev/pull/1008) | \n\n\n## Restore accurate timestepping when running with temporally finer MET inputs \n[Ben Murphy](mailto:murphy.ben@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Bug Fix \n**Release Version/Date**: CMAQv5.5 \n\n**Description**: ELMO gave erroneous results when run using met inputs not aligned with hour time steps such as seen when running WRF-CMAQ. See Issue [179](https://github.com/USEPA/CMAQ/issues/179) in public repo. \n \n**Significance and Impact**: This model bug fix should be adopted as soon as possible for any user running WRF-CMAQ or using met inputs with time steps not aligned with hourly structure. Simulations for offline CMAQ with hourly met inputs are unaffected. \n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#962](https://github.com/USEPA/CMAQ/commit/a6e2bf20b774467fed85fc82eacd93ff57ef3434) | [PR#962](https://github.com/USEPA/CMAQ_Dev/pull/962) | \n\n## Introduction of the Explicit and Lumped air quality Model Output module (ELMO)\n[Ben Murphy](mailto:murphy.ben@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: New Feature \n**Release Version/Date**: CMAQv5.4 \n\n**Description**: \nThe ELMO Synthesizer streamlines the definition, calculation, and maintenance of over 170 aggregate particulate matter parameters online in CMAQ. Previously, aggregate parameters like PM2.5 and Fine-mode Sulfate (ASO4I + ASO4J) were calculated through the COMBINE post-processing utility and documented via the SpecDef input file for that program. With ELMO, these variables are defined in ELMO_DATA.F and their calculations are prescribed in ELMO_PROC.F. Thus, CMAQ can now output higher-level parameters without needing to run any particular post-processing tool. \n\nThe interface for using ELMO is on the CMAQ Miscellaneous Control File. Please see that file for a description of how to use the options relevant for ELMO. \n\nThere are several distinct advantages to using ELMO over post-processing raw output with COMBINE: \n - Definitions of parameters like PM2.5, PMF (Fine PM), and PM10.0 automatically adjust as PM species are activated or deactivated in CMAQ. There is no need to modify a SpecDef file to account for a new species. \n - Complex properties like O:C, OM:OC, particle acidity, etc. can be calculated using species properties available within CMAQ. This resolves a potential vulnerability where, for example, the OM:OC of organic species may become out of sync between the SpecDef and the SOA_DEFN table within the model. This could potentially lead to errors in the calculation of OC (organic carbon). \n - If a user is only interested in aggregate parameters like PM25 mass, they can avoid the I/O time and storage required saving the raw output of every PM variable and then processing with COMBINE. This can be particularly important when processing 3D data. \n - This functionality will be critical for applications like ISAM where there is a huge runtime and storage penalty for outputting raw species concentrations for every emission source. \n - New parameters are available that were not before like N10, N20, N40 and N100, the number of particles above 10, 20, 40 and 100 nm in diameter. AOD and extinction have also been supported as options. \n - Some time may be saved in the input/output of so many variables via COMBINE. \n\nKeywords are available (see the interface in the EmissionControlFile) to use a short cut for identifying the parameters of interest. Parameters may be added to the ELMO_LIST table in ELMO_DATA.F and then prescribed in ELMO_PROC.F with greater ease. \n\nFor developers: the new module works by putting all of the diagnostic parameters first on the ELMO_LIST table in ELMO_DATA.F. There is also a list of ID numbers (integers) above that table which allow for a master order to be preserved while the order of the parameters in the table and their calculations in ELMO_PROC.F are allowed to move in sequence. The subroutine LOAD_ELMO (ELMO_PROC.F) is called from AERO_DRIVER and cycles through the list of used parameters as defined by the interface in the EmissionControlFile. \n\nFor each parameter, the subroutine CALC_ELMO is called to lookup the calculation. For many of the calculations, all that is required is an assignment from an already existing diagnostic variable. For the parameters which are linear combinations of CMAQ species or other parameters (e.g. fine-mode nitrate PMF_NO3 = ANO3I + ANO3J, PM2.5 mass PM25 = PM25_SO4 + PM25_NO3 + PM25_NH4 + PM25_CL + PM25_NA + PM25_EC + PM25_POA + ...), they may be defined in the subroutine MAP_ELMO_COEFF (in ELMO_PROC.F). Follow the guide of existing parameters to prescribe the species to be added, the inlet type to assume for collection, etc. If you need to add a new inlet description, you can do that in the ELMO_INLET table in ELMO_DATA.F. For more complicated variables like fine-mode acidity (PMF_PH) or the PM25 mass collected by a Federal Reference Method sampler (PM25_FRM), calculations appear directly in CALC_ELMO_DATA.\n \n**Significance and Impact**: There is no quantitative impact on results, but there will be a noticeable positive impact on the time invested in post-processing aggregate PM components and storage volumes required for standard runs. There can be some slight differences realized when one compares quantities averaged online vs. offline. For example, total PM2.5 have some small deviations when it is calculated as the hourly average of the sum of species (online) versus the sum of hourly averaged species (offline). \n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#639](https://github.com/USEPA/CMAQ/commit/3dc2bb6e3d3041bbbf0729643cc38bb2c52b2e11) | [PR#639](https://github.com/USEPA/CMAQ_Dev/pull/639) | \n|[Merge for PR#637](https://github.com/USEPA/CMAQ/commit/6bf6a3c367cb5fae088396c879e1c9609766a5dd) | [PR#637](https://github.com/USEPA/CMAQ_Dev/pull/637) | \n|[Merge for PR#769](https://github.com/USEPA/CMAQ/commit/c5bce3ef77dc54b29bf66046d07f766afc2d9f61) | [PR#769](https://github.com/USEPA/CMAQ_Dev/pull/769) | " }, { "path": "DOCS/Release_Notes/CMAQ-Release-Notes:-Dry-Deposition-Air-Surface-Exchange.md", "content": "# Dry Deposition Changes\n\nThis page contains links to Wiki pages describing current and past changes to the Dry Deposition Air Surface Exchange Process in CMAQ. \n\n\n * [M3DRY](./CMAQ-Release-Notes:-Dry-Deposition-Air-Surface-Exchange:-M3DRY.md)\n * [Surface Tiled Aerosol and Gaseous Exchange (STAGE)](./CMAQ-Release-Notes:-Dry-Deposition-Air-Surface-Exchange:-Surface-Tiled-Aerosol-and-Gaseous-Exchange-(STAGE).md)\n * [Generalized Changes](./CMAQ-Release-Notes:-Dry-Deposition-Air-Surface-Exchange:-Generalized-Changes.md)\n\n\n" }, { "path": "DOCS/Release_Notes/CMAQ-Release-Notes:-Dry-Deposition-Air-Surface-Exchange:-Generalized-Changes.md", "content": "## Activate Dry Deposition Diagnostic Output for PMOTHR\n[Ben Murphy](mailto:murphy.ben@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Science Update \n**Release Version/Date**: CMAQv5.4 \n**Description**: \nThe diagnostic output for dry deposition of PMOTHR species was activated in the AE namelist by default.\n \n**Significance and Impact**: None.\n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#808](https://github.com/USEPA/CMAQ/commit/20ffc395a7d2e6c4686621dc43ea6d65f00b3679) | [PR#808](https://github.com/USEPA/CMAQ_Dev/pull/808) |\n\n## Remove Remnants of Reading Dry Deposition Velocities from MCIP\n[Chris Nolte](mailto:nolte.chris@epa.gov), U.S. Environmental Protection Agency \n\n**Type of Update**: Bug Fix\n**Release Version/Date**: CMAQv5.4\n\n**Description**: \nDry deposition velocities used to be computed in MCIP, then read by CMAQ. The capability to compute deposition velocities online (or \"inline\") was added in CMAQv4.7 in December 2008. The computation of deposition velocities was later removed from MCIP. However, the CMAQ code still had `ILDEPV` as a commented-out flag in `DEPV_DEFN`, as well as the `RDDEPV` routine, which was never called. These remnants have all been removed. \n\n**Significance and Impact**: Removes non-working option that had the potential for confusing users.\n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#679](https://github.com/USEPA/CMAQ/commit/e3021a6aadc355f3fad85d9bf325bbd6d871c2e8) | [PR#679](https://github.com/USEPA/CMAQ_Dev/pull/679) |" }, { "path": "DOCS/Release_Notes/CMAQ-Release-Notes:-Dry-Deposition-Air-Surface-Exchange:-M3DRY.md", "content": "### Revised dry dep flux for NH3\n[Jon Pleim](mailto:pleim.jon@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Science Update \n**Release Version/Date**: CMAQv5.5 \n**Description**: \nChanged the calculation of NH3 dry dep flux and NH3 emission flux.\nNow the NH3 dry dep flux is calculated in ABFLUX by setting the ground and stomatal NH3 concentrations to zero. Emission flux is then the Net Flux - Dry Dep flux. \n\nAlso, fixed error in cuticle resistance to ammonia when not using bi-directional flux.\n \n**Significance and Impact**:\nFirst part only changes NH3 and NH3_Emis output in CCTM_DRYDEP files.\nSecond part changes NH3 deposition when running without ammonia bi-directional exchange (ABFLUX). This change causes a minor increase in PM and decreases O3 (see figure below), providing a more accurate NH3 dry dep flux estimate.\n\n\n\n\n\n\n\n\n
\n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#1073](https://github.com/USEPA/CMAQ/commit/c58dbf7b0f60d4bd04188205236e664fab7902cd) | [PR#1073](https://github.com/USEPA/CMAQ_Dev/pull/1073) |\n\n\n\n### New Aerosol Deposition Model (aero_depv) \n[Jon Pleim](mailto:pleim.jon@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Science Update \n**Release Version/Date**: CMAQv5.4 \n**Description**: \nA new aerosol deposition model has been developed and added to CMAQv5.4. The model development, description, and testing are described in a new Journal article to be published in JAMES (Pleim et al, 2022).\nThe inspiration for this new model comes from comparisons of currently used aerosol dry deposition models to a compendia of published field measurement studies in various landscapes that show very poor agreement over a wide range of particle sizes. The new aerosol dry deposition model that is a modification of the current model in CMAQv5.3 agrees much better with measured dry deposition velocities across particle sizes. The key innovation is the addition of a second inertial impaction term for microscale obstacles such as leaf hairs, microscale ridges, and needleleaf edge effects. \n**Significance and Impact**:\nThe most significant effect of the new model is to increase the mass dry deposition of the accumulation mode aerosols in CMAQ. Accumulation mode mass dry deposition velocities increase by almost an order of magnitude in forested areas with lesser increases for shorter vegetation. Peak PM2.5 concentrations are reduced in some forested areas by up to 40% in CMAQ simulations. \n**References**: \nPleim, J. E., Ran, L., Saylor, R. D., Willison, J., & Binkowski, F. S. (2022). A new aerosol dry deposition model for air quality and climate modeling. Journal of Advances in Modeling Earth Systems, 14, e2022MS003050. [https://doi. org/10.1029/2022MS003050](https://doi.%20org/10.1029/2022MS003050)\n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#842](https://github.com/USEPA/CMAQ/commit/289701974ba9610cf92043e9f223fbbf0f888bbd) | [PR#842](https://github.com/USEPA/CMAQ_Dev/pull/842) |\n" }, { "path": "DOCS/Release_Notes/CMAQ-Release-Notes:-Dry-Deposition-Air-Surface-Exchange:-Surface-Tiled-Aerosol-and-Gaseous-Exchange-(STAGE).md", "content": "### Correction in an Underflow STAGE Emerson Aerosol Dry Deposition Option\n[Jesse Bash](mailto:bash.jesse@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Bug Fix \n**Release Version/Date**: CMAQ 5.5 \n**Description**: This pull request resolves an underflow issue in calculating the bounce correction term (R1) in the [Emerson et al. 2020](https://www.pnas.org/doi/10.1073/pnas.2014761117) (equation 2) aerosol dry deposition option in STAGE. \n\n**Significance and Impact**: This allows for CMAQ simulations using the STAGE Emersion aerosol dry deposition option when compiled with debug flags. This correction makes relatively small changes in the aerosol dry deposition velocity when the gravitation settling velocity is large. This can result in small changes in the aerosol deposition velocity but has no impact on model evaluations to the precision that is reported in the AMET tool. \n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#1102](https://github.com/USEPA/CMAQ/commit/e54d26342569a1811195c4bb4e54579ae0192927) | [PR#1102](https://github.com/USEPA/CMAQ_Dev/pull/1102) |\n\n\n### STAGE Minor Bugfix\n[Jesse Bash](mailto:bash.jesse@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Bug Fix \n**Release Version/Date**: CMAQ 5.5 \n**Description**: \n This pull request address three issues in the STAGE deposition option. \n1. The units for Molar Vol in CMAQ_Control_STAGE.nml are incorrect and should be cm**3 mol-1\n2. The diffusive volume in STAGE_MOD.F should be 20.1 cm**3 mol-1 rather than 22.4 following Fuller et al. 1966 and the [EPA Onsite toolbox](https://www3.epa.gov/ceampubl/learn2model/part-two/onsite/ed-background.html).\n3. Added the attenuation of u* due to canopy elements to the deposition of aerosols to vegetated covered smooth surfaces. \n\n**Significance and Impact**: This pull request corrects a units typo in the CMAQ_Control_STAGE.nml and the FSG diffusive volume for air in the diffusivity calculation. This results in a minor reduction in model estimated O3 concentrations with the largest reductions (less than 1 ppb) occurring during the summer over forested land cover where the model typically overestimates AQS observed O3. The model differences are not likely to impact the general model evaluation. \n\n**References**: [EPA Onsite toolbox](https://www3.epa.gov/ceampubl/learn2model/part-two/onsite/ed-background.html) \n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#1070](https://github.com/USEPA/CMAQ/commit/372037a5e32bca159c57fab7703de99c4530f7e3) | [PR#1070](https://github.com/USEPA/CMAQ_Dev/pull/1070) | \n\n\n### Land Use and Deposition Species Mapping\n[Jesse Bash](mailto:bash.jesse@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Bug Fix, New Feature \n**Release Version/Date**: CMAQ 5.4 \n**Description**: \nThis update to STAGE has three primary parts: \n1. introduces the mapping of land use data from the meteorological model to an internal land use category similar as with the AQMEII 4 project. This mapping is defined in the CMAQ_Control_STAGE.nml and is fully customizable allowing the user to set the number and parameters for the land use types and define the meteorological models land use data. These parameters now include the NH3 and Hg compensation points for bidirectional options. This also provides the logic when mapping from land use specific deposition to high resolution land use data, e.g. MODIS.\n2. Land use specific conductances are now normalized to the meteorological model’s grid average value. This results in little change when using WRF 3.8.1 with the PX land surface scheme but does change results with other versions of WRF and land surface schemes. When using WRF 4.1.2 using the PX land surface scheme in the EQUATES project, this resulted in a reduction in Maximum 8 hour O3 concentrations over the Eastern US by 1-3 ppb in July and little change in January. This resulted in an improvement in model performance. \n3. The mapping of dry deposition species to vertical diffusion species has been completely revised. This mapping is now done in the initialization DEPV_DEFN.F rather than at each sync step. This mapping is now editable without the need to recompile using the CMAQ_Control_STAGE namelist allowing users to add deposition processes to any modeled species. The mapping between vdiff and dep is stored in a derived data type and is also used to control the output of the optional grid and tiled deposition velocity files. \n4. This pull request corrected an error in the bidirectional NH3 exchange parameterization of the soil ammonium in solution for MODIS category 14 that was present when soil moisture in the first soil fell below the specified wilting point that resulted in excessively high NH3 emissions. This was only present when running using MODIS land use over the contiguous U.S. with bidirectional NH3 exchange turned on. \n\n**Significance and Impact**: Overall, these result in a reduction in model run time, particularly when the MOSAIC option is set, and improved model O3 performance and reduced NH3 error when compared against AMoN observations when using meteorology with MODIS land use. There is little impact on other model species. Land use and species-specific deposition parameters have been aggregated allowing for easier maintenance, improved transparency, and gives the user much more control over the governing deposition processes.\n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#847](https://github.com/USEPA/CMAQ/commit/16f959108268dd2a55e2271a26d5d89a9ec54914) | [PR#847](https://github.com/USEPA/CMAQ_Dev/pull/847) | \n\n### Updates to Gaseous and Aerosol Dry Deposition\n[Jesse Bash](mailto:bash.jesse@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Bug fix, New feature \n**Release Version/Date**: CMAQ 5.4 \n**Description**: \n\nThe STAGE option in CMAQ v5.5 now allows the user to specify key land use parameters for gaseous and aerosol dry deposition process using the CMAQ_Control_STAGE.nml name list. Default values have been populated using median observations from the TRY Plant Trait Database. These updates reduce the bias in summertime NH3 concentrations by approximately half.\n\nTwo aerosol deposition options have been added that better capture the observed relationship between the observed aerosol dry deposition velocity and particle diameter. The Emerson et al. 2020 option has been made the default in STAGE and results in PM2.5 concentrations similar to the STAGE CMAQ v5.3 scheme while the Pleim et al. 2022 option results in a higher rates of aerosol deposition in the Accumulation mode and results in lower ambient PM2.5 concentrations. \n\nThe aerosol deposition options can be selected in the run script by setting the following environmental variables to Y:\n\n`setenv CTM_STAGE_P22 N #> Pleim et al. 2022 Aerosol deposition model [default: N]`\n\n`setenv CTM_STAGE_E20 Y #> Emerson et al. 2020 Aerosol deposition model [default: Y]`\n\n`setenv CTM_STAGE_S22 N #> CMAQ v5.3 Aerosol deposition model [default: N]`\n\n\nThis update to STAGE has 5 primary parts:\n1.\tThe formulation for Calc_Rb_leaf in STAGE_FUNCTIONS.F has been revised to more closely follow the original derivation in Jensen and Hummelshoj 1995/1997 doi:10.1016/0168-1923(94)05083-I from the implementation in [Massad et al 2010](https://doi.org/10.5194/acp-10-10359-2010). This change was made due to typographical errors found Massad et al. 2010 and it was unclear if the remaining differences between Massad et al. 2010 and its cited references, Jensen and Hummelshoj 1995/1997, where intentional or in error.\n2.\tLeaf litter emission potentials were added for under canopy surfaces and stomatal NH3 emission potentials were updated based on AMoN site survey data extrapolated to the STAGE land use categories based [TRY Plant Trait Database](https://www.try-db.org/TryWeb/Home.php) leaf and soil litter nitrogen observations.\n3.\tThe soil water-solid partitioning scheme was updated based on recent measurements conducted at NCSU.\n4.\tLand use specific parameters for aerosol deposition processes have now been moved to CMAQ_Control_STAGE.nml and the aerodynamic leaf width parameter has been updated based on TRY Plant Trait Database observations, assuming an oval leaf following [Campbell and Norman 1998](https://link.springer.com/book/10.1007/978-1-4612-1626-1).\n5.\tThe CSU [Emerson et al. 2020](https://doi.org/10.1073/pnas.2014761117) and Pleim et al. 2022 aerosol deposition options are now included as a runtime option. The CSU model has been modified to smoothly scale from leaf off to leaf on conditions and vegetated to non-vegetated conditions for the CMAQ application. This includes the incorporation of a two layer aerosol deposition model and replacing the product of the empirical factor 3 and u* with the integration of LAI(z) u*(z) from 0 to the canopy top using the in-canopy attenuation coefficient of [Yi 2008](https://doi.org/10.1175/2007JAMC1667.1). This matches the empirical factor of 3 at an LAI of approximately 5.3. When LAI = 0 this returns the deposition velocity for non-vegetated surfaces. Despite these changes, CMAQ model results, with an aerosol standard deviation of 1, are similar to the figures presented in Emerson et al. 2020.\n\n![image](https://user-images.githubusercontent.com/12100276/165372400-d045f7bd-c0c8-4780-9ce9-7c542cc2e4bb.png)\nDeposition velocity as a function of particle diameter for the CSU model, M3Dry [PR#842](https://github.com/USEPA/CMAQ_Dev/pull/842), STAGE v5.3, and the STAGE-CSU modal parameterization [PR#883](https://github.com/USEPA/CMAQ_Dev/pull/883).\n\n![image](https://user-images.githubusercontent.com/12100276/165372939-ccfa2c55-8a45-4604-9a62-31e0887baa5e.png)\nDeposition pathways of the STAGE-CSU implementation.\n\n**Significance and Impact**:\n1.\tThis pull request revises the formula for Rb_leaf which results in lower resistances to vegetation with LAI > 4.6 and higher resistance to deposition otherwise. This primarily impacts HNO3 and other species with low/no canopy resistance. Model differences are small and typically less than 1 ppb.\n2.\tChanges 2 and 3 result in about a 15% increase in summertime NH3 concentrations over the CONUS domain with decreases in heavily agricultural areas. This results in a reduction in the model bias and error.\n\n![image](https://user-images.githubusercontent.com/12100276/165373141-bac10392-8101-43fd-b322-3ebd566ef8d7.png)\nJuly 2016 Evaluation against AMoN concentrations, AMoN observations (grey), the STAGE v5.4 update [PR#883](https://github.com/USEPA/CMAQ_Dev/pull/883) (red), and [PR#842](https://github.com/USEPA/CMAQ_Dev/pull/842) (blue)\n\n3.\tThe Pleim et al. 2022 aerosol deposition options results are similar to [PR#842](https://github.com/USEPA/CMAQ_Dev/pull/842) while the Emerson et al. 2020 option results in a smaller reduction than Pleim et al. 2022 in ambient aerosol concentrations while still capturing the observed minimum in the aerosol deposition velocity. The Pleim et al. 2022 option was evaluated against a CONUS July 2016 simulation of a current build of M3Dry and the modeled PM was within 5% of each other. The differences in PM appear to be related to gaseous aerosol precursors due to differences in the gaseous deposition and BVOC emissions, the STAGE case used BEIS4/BELD6.\n\n![image](https://user-images.githubusercontent.com/12100276/165373756-a34c24ab-4615-48ff-bc4d-fd82ef69ca64.png)\nMonthly mean PM2.5 from M3Dry [PR#842](https://github.com/USEPA/CMAQ_Dev/pull/842) (left) and STAGE using the Pleim et al. 2022/M3Dry scheme (right).\n\n![image](https://user-images.githubusercontent.com/12100276/165373889-1d5e8c98-f79a-4ba4-822b-1cd587e65aea.png)\nTime series of PM2.5 from M3Dry [PR#842](https://github.com/USEPA/CMAQ_Dev/pull/842), black, and STAGE using the M3Dry aerosol deposition velocity, red, (left) and a scatter plot between the two parameterizations (right).\n\n![image](https://user-images.githubusercontent.com/12100276/165374017-1e3a77be-6bf6-4b08-a58a-89252f4672b3.png)\nMonthly mean PM2.5 from STAGE using the Emerson et al. 2020/CSU scheme (left) and STAGE using the Pleim et al. 2022/M3Dry scheme (right).\n\n![image](https://user-images.githubusercontent.com/12100276/165374076-5c95bb86-a795-4ec9-9ad1-333c9f703050.png)\nTime series of PM2.5 from STAGE using the CSU aerosol deposition velocity, black, and STAGE using the M3Dry aerosol deposition parameterization, red, (left) and a scatter plot between the two parameterizations (right).\n\n![image](https://user-images.githubusercontent.com/12100276/165374388-27999a12-981f-4b15-b7f0-557a6471b691.png)\nJuly 2016 stacked barplots. From left to right, AQS daily observations, STAGE with CSU aerosol deposition option, STAGE with M3Dry aerosol deposition option, STAGE with v5.3 aerosol deposition option\n\n**References**: \nCampbell and Norman, An introduction to Environmental Biophysics, Springer New York, NY, https://doi.org/10.1007/978-1-4612-1626-1: 1998 \n\nEmerson, E.W., Hodshire, A.L., DeBolt, H.M., Farmer, D.K., Revisiting particle dry deposition and its role in radiative effect estimates. Proceedings of the National Academy of Sciences, 117(42), 26076-26082, https://doi.org/10.1073/pnas.2014761117: 2020 \n\nJensen, N.O., Hummelshoj, P., Derivation of canopy resistance for water vapour fluxes over a spruce forest using a new technique for the viscous sublayer resistance, Agricultural and Forest Meteorology, 73 (3-4), 339-352, https://doi.org/10.1016/0168-1923(94)05083-I, 1995\n\nKattge, J., et. al.: TRY plant trait database – enhanced coverage and open access. Global Change Biology 26, 119 – 188, https://doi.org/10.1111/gcb.14904: 2020\n\nMassad, R.-S., Nemitz, E., Sutton. M.A., Review and parameterization of bi-directional ammonia exchange between vegetation and the atmosphere, Atmos. Chem. Phys., 10., 10359-10386, https://doi.org/10.5194/acp-10-10359-2010, 2010\n\nYi, X., Momentum Transfer within Canopies, J. Applied Meteorology and Climatology,47(1), 262-275, https://doi.org/10.1175/2007JAMC1667.1: 2008\n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#883](https://github.com/USEPA/CMAQ/commit/bdcb56e60ca03248e4782fc296b855e6fdefd7c8) | [PR#883](https://github.com/USEPA/CMAQ_Dev/pull/883) | \n\n" }, { "path": "DOCS/Release_Notes/CMAQ-Release-Notes:-Emissions-Updates.md", "content": "# Emissions Updates\n\nThis page contains links to Wiki pages describing current and past changes to the Emission related components in CMAQ. \n\n * [Detailed Emissions Scaling Isolation and Diagnostics Module (DESID)](./CMAQ-Release-Notes:-Emissions-Updates:-Detailed-Emissions-Scaling-Isolation-and-Diagnostics-Module-(DESID).md)\n * [BEIS Biogenic Emissions](./CMAQ-Release-Notes:-Emissions-Updates:-BEIS-Biogenic-Emissions.md)\n * [Model of Emissions of Gases and Aerosols from Nature (MEGAN) Biogenic Emissions](./CMAQ-Release-Notes:-Emissions-Updates:-Model-of-Emissions-of-Gases-and-Aerosols-from-Nature-(MEGAN)-Biogenic-Emissions.md)\n * [Environmental Policy Integrated Climate (EPIC) Model](./CMAQ-Release-Notes:-Emissions-Updates:-Environmental-Policy-Integrated-Climate-(EPIC)-Model.md)\n * [Wind-Blown Dust Emissions](./CMAQ-Release-Notes:-Emissions-Updates:-Wind-Blown-Dust-Emissions.md)\n * [Lightning Emissions](./CMAQ-Release-Notes:-Emissions-Updates:-Lightning-Emissions.md)\n * [Marine Gas Emissions](./CMAQ-Release-Notes:-Emissions-Updates:-Marine-Gas-Emissions.md)\n * [Sea-Spray Aerosol Emissions](./CMAQ-Release-Notes:-Emissions-Updates:-Sea-Spray-Aerosol-Emissions.md)\n * [Gridded Emissions](./CMAQ-Release-Notes:-Emissions-Updates:-Gridded-Emissions.md)\n * [Point Source Emissions](./CMAQ-Release-Notes:-Emissions-Updates:-Point-Source-Emissions.md)\n\n \n\n" }, { "path": "DOCS/Release_Notes/CMAQ-Release-Notes:-Emissions-Updates:-BEIS-Biogenic-Emissions.md", "content": "### BEIS Updates\n[Jesse Bash](mailto:bash.jesse@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Science Update and Bug Fix \n**Release Version/Date**: CMAQv5.4 \n**Description**: \n\nScience updates:\n1. BEIS in CMAQ is streamlined by removing the BIOSEASONS file and the BIOSW_YN and SUMMER_YN options.\n > Seasonality is now modeled using the 1 meter soil temperature following the WRF PX LSM implementation and was tested with WRF output using both NOAH and PX LSM simulations. \n2. Canopy temperature and radiation environments are now modeled using the driving meteorological model’s representation of LAI rather than the LAI values in the B3GRD file.\n\nBug fixes: \n1. Solar radiation attenuation in the shaded portion of the canopy was using the direct beam photosynthetically active radiation (PAR) when the diffuse beam PAR attenuation coefficient should have been used. \n > This update had little impact on the total emissions but did result in slightly higher emissions in the morning and evening transition periods for isoprene, methanol and MBO.\n2. The fraction of solar radiation in the sunlit and shaded canopy layers, SOLSUN and SOLSHADE respectively were estimated using a planar surface. These should have been estimated based on the par intercepted by a hemispheric surface rather than a plane. \n > This update can result in an earlier peak in leaf temperature, approximately up to an hour.\n3. The quantum yield for isoprene emissions (ALPHA) was updated to the mean value in Niinemets et al. 2010a ( https://doi.org/10.1029/2010JG001436) and the integration coefficient (CL) was updated to yield 1 when PAR = 1000 following Niinemts et al 2010b ( https://doi.org/10.5194/bg-7-1809-2010).\n > This updated resulted in a slight reduction in isoprene, methanol, and MBO emissions.\n\nBELD 6 updates:\n1. Utilizes high resolution tree species and biomass data from Wilson et al. 2013a, and Wilson et al. 2013b. \n > Scaled to mean grid cell leaf biomass using the allometric relationships in the U.S. Forest Service Forest Inventory and Analysis (FIA) database allometric scaling (Jenkins et al. 2003)\n2. Species names were changed from non-specific common names to scientific names\n3. Tree species biogenic volatile organic carbon (BVOC) emission factors for tree species where taken from the NCAR Enclosure database similar to MEGAN 3\n4. Switch from area based to the leaf biomass based emission factors to utilize the new high resolution data from the US Forest Service and to utilize units more commonly reported in the literature. \n\n**Significance and Impact**: \n\nThe seasonality updates require one less input file and two fewer environment variables. Leaf off and leaf on conditions are now represented as a gradient rather than a binary variable and are in better agreement with long term means from the U.S.A. National Phenological Network observations (USANPN). This change did not have a large impact on BVOC emissions due to the temperature dependence on emissions. \n \n![image](https://user-images.githubusercontent.com/12100276/165358483-8df7e5fd-0241-46f5-963a-bae38bf28e16.png)\nComparison USANPN observations leaf onset observations for April 15th (top), the BEIS4 parameterization adopted from the WRF PX land surface scheme (bottom left), and the BEIS3 bioseasons file representation (bottom right)\n \nThe correction to the canopy light model resulted in similar emissions as BEIS3 but in much higher simulated CMAQ isoprene, methanol, and MBO concentrations due to an increase in emissions during the morning and evening transition where the modeled boundary layer height is relatively low. This resulted in approximately a 30% increase in estimated isoprene concentrations in July. The updates to BELD increased isoprene emissions in the Southeast by approximately another 20% and monoterpene emissions decreased by approximately 20% due to changes in emission factors and differences between the biomass estimates of Wilson et al. 2013 used in BELD 6 and the domain wide assumptions used in BELD 5.\n \n![image](https://user-images.githubusercontent.com/12100276/165358526-0f2b989e-3ef2-441e-a32f-c42163bedcb8.png)\nDaily AQS isoprene observations (grey) and July 2016 results from this merge with BELD6 emission factors (red), prior to this merge with BELD6 emission factors (blue), and the research branch with BELD5 emission factors (green)\n\n**References**: \nJenkins, J.C., Chajnocky, D.C., Heath, L.S., Birdsey, R.A., National-scale biomass estimators for United States Tree Species, Forest Science, 49(1), 12-35, https://doi.org/10.1093/forestscience/49.1.12, 2003\n \nNiinemets, U., Copolovici, L., Huve, K., High within-canopy variations in isoprene emission potentials in temperate trees: Implications for predicting canopy-scale isoprene fluxes, J. Geophys. Res. Biogeosci. G04029, ,https://doi.org/10.1029/2010JG001436, 2010a\n \nNiinemets, U., Monson, R.K., Arneth, A., Ciccioli, P., Kesselmeier, J., Kuhn, U., Noe, S.M., Penuelas, J., Staudt, M., The leaf-level emission factor of volatile isoprenoids: caveats, model algorithms, response, shapes and scaling, Biogeosciences, 7, 1809-1832, https://doi.org/10.5194/bg-7-1809-2010, 2010b\n\nWiedinmyer, C., 2001. NCAR BVOC Enclosure Database. National Center for Atmospheric Research, Boulder, CO\n \nWilson, Barry Tyler; Lister, Andrew J.; Riemann, Rachel I.; Griffith, Douglas M. 2013a. Live tree species basal area of the contiguous United States (2000-2009). Newtown Square, PA: USDA Forest Service, Rocky Mountain Research Station. https://doi.org/10.2737/RDS-2013-0013\n \nWilson, Barry Tyler; Woodall, Christopher W.; Griffith, Douglas M. 2013b. Forest carbon stocks of the contiguous United States (2000-2009). Newtown Square, PA: U.S. Department of Agriculture, Forest Service, Northern Research Station. https://doi.org/10.2737/RDS-2013-0004\n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#868](https://github.com/USEPA/CMAQ/commit/e5af32542cf7f60e16620857d1a20f85c0049528) | [PR#868](https://github.com/USEPA/CMAQ_Dev/pull/868) | \n" }, { "path": "DOCS/Release_Notes/CMAQ-Release-Notes:-Emissions-Updates:-Detailed-Emissions-Scaling-Isolation-and-Diagnostics-Module-(DESID).md", "content": "### Updates needed for MPAS-CMAQ implementation \n[Ben Murphy](mailto:murphy.ben@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Bug Fix \n**Release Version/Date**: v5.5 \n\n**Description**: Two issues were found related to emissions processing algorithms in DESID. \n\n(1) In desid_module.F, when the emission scale factor is applied, there are conditionals that govern whether the scale factor (FAC) should be adjusted by the map scale factor or grid cell area. These potential adjustments are applied within a loop over vertical levels and so their impact will accumulate as the algorithm treats higher model layers. This issue was not resolved earlier since area adjustments are seldom needed in the current CMAQ workflow.\n\n(2) A variable in AERO_EMIS (EMISM3) was allocated every time the subroutine was called, and a better approach is to define EMISM3 as a saved variable and allocate it once. It is a large variable so avoiding repeated allocations may have an impact on memory management.\n\n**Significance and Impact**: In addition to correcting potential vulnerabilities, these changes are needed to harmonize the code between offline CMAQ and MPAS-CMAQ. \n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#1007](https://github.com/USEPA/CMAQ/commit/109ac7ef5b972dee37fd4e1f66ec865b277d77c2) | [PR#1007](https://github.com/USEPA/CMAQ_Dev/pull/1007) |\n\n### Reconcile Emission Molecular Weight Table with CRACMM Speciation \n[Ben Murphy](mailto:murphy.ben@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Mechanism Support \n**Release Version/Date**: CMAQv5.5 \n\n**Description**: DESID uses molecular weight to convert between moles and mass for gas and aerosol emission variables. In general, these MW's are not needed because gases and aerosols are provided in terms of moles and mass, respectively. However, if emissions for a CMAQ species are provided in a unit that requires this conversion, the MW must be provided or a value of 1.0 will be assumed. \n\n**Significance and Impact**: To fully support CRACMM development and implementation. In most cases, there is no impact on results. If MW is needed for a unit conversion, then the impact can be very significant (1-2 orders of magnitude for the affected species). \n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#1006](https://github.com/USEPA/CMAQ/commit/bea8e25dccc0c416e42924cda3890ab098470b58) | [PR#1006](https://github.com/USEPA/CMAQ_Dev/pull/1006) |\n\n### Chemical Family Support\n[Ben Murphy](mailto:murphy.ben@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Bug Fix \n**Release Version/Date**: CMAQv5.5 \n\n**Description**: Allows for aerosol bulk names to be used on emission input files (e.g. APOC or ASO4). These variable names do not include the mode suffixes. DESID should be able to map them to an internal CMAQ species using a rule like:\n```\nRegion Stream Emission CMAQ Phase Scale Basis Operator\n Variable Species Factor\n'EVERYWHERE', 'ALL' ,'APOC', 'APOC' ,'FINE', 1.0, 'UNIT', 'a',\n```\nbut it currently cannot because it automatically stores all aerosol bulk names as families with members equivalent to the list of aerosol species matching that chemical (i.e. APOC contains APOCI and APOCJ). If an input file has APOC on it, and the user tries to map to it, DESID looks for APOCI and APOCJ, can't find them, and reports a problem (but moves on and runs). Previous CMAQ versions (5.3.3) had this capability and the introduction of aerosol bulk name families compromised it.\n\nIn the new approach, if the algorithm detects that a variable name is an aerosol bulk name, it looks for an emission variable matching that name, instead of breaking it apart into its members. On the other hand, if the name is used in the CMAQ species column (i.e. the second occurrence of APOC in the example above), then DESID will match the components and scale them each as desired.\n\nOther improvements in this update include a check when families are defined to make sure that if a user defines a family that has the same name as an active aerosol bulk name, then the user definition is preferred and the number of chemical families is reduced.\n\n**Significance and Impact**: No impact on model results. Restoration of features available in previous model versions and better error checking and handling. \n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#963](https://github.com/USEPA/CMAQ/commit/f7182ebf94524be13a6db804a26a148f863dc3f2) | [PR#963](https://github.com/USEPA/CMAQ_Dev/pull/963) | \n\n\n### Restructuring and Miscellaneous updates to the DESID Interface and Processing Features\n[Ben Murphy](mailto:murphy.ben@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Interface Update \n**Release Version/Date**: CMAQv5.4 \n\n**Description**: \nThe DESID Emission Control file has been restructured and several minor updates have been made to the functionality and features available in the DESID interface. Specific details as follows:\n- The Emission control file has been streamlined and split to improve maintainability. There are now three control files including CMAQ_Control_Misc.nml which contains input parameters for non-DESID modules like ELMO and the Budget tool, CMAQ_Control_DESID.nml which contains DESID parameters that are independent of chemical mechanism (e.g. region and are size distribution parameters), and CMAQ_Control_DESID_${MECH}.nml which contains mechanism-dependent scaling rules.\n- Area normalization - if offline streams are provided in units of area-normalized flux, DESID can now be told to multiply the flux inputs by the area of each grid cell projected to the real area on the Earth's surface, if appropriate.\n- A computational inefficiency was discovered that has been corrected for cases when there are more than 200,000 point sources on a single sub-domain block.\n- Diagnostic options have been expanded so that users can choose which variables and sources will populate individual output files.\n- A bug in the processing of region-based scaling parameters was discovered and revised.\n- Variables and comments have been revised for clarity.\n- Chemical families have been revised to so they are accessed globally by other modules like ELMO.\n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#817](https://github.com/USEPA/CMAQ/commit/d3a8d13f63746a83854a4babde3a2a5d9747e15d) | [PR#817](https://github.com/USEPA/CMAQ_Dev/pull/817) | \n|[Merge for PR#809](https://github.com/USEPA/CMAQ/commit/c6f906165301f28ad45a0118acec9d9a6666db98) | [PR#809](https://github.com/USEPA/CMAQ_Dev/pull/809) | \n|[Merge for PR#766](https://github.com/USEPA/CMAQ/commit/9b90649c8fb9316c5abc163f79e3a1245644880f) | [PR#766](https://github.com/USEPA/CMAQ_Dev/pull/766) | \n|[Merge for PR#714](https://github.com/USEPA/CMAQ/commit/804498d39c73e648b1aa72fcb807697fd1dc67b1) | [PR#714](https://github.com/USEPA/CMAQ_Dev/pull/714) | \n|[Merge for PR#709](https://github.com/USEPA/CMAQ/commit/c510f9b3be031cd799d1f7dd5a106674c29e58b6) | [PR#709](https://github.com/USEPA/CMAQ_Dev/pull/709) | \n|[Merge for PR#648](https://github.com/USEPA/CMAQ/commit/22d519fdac9c8fcfec9aeb2c186b2f0e3f77ad8b) | [PR#648](https://github.com/USEPA/CMAQ_Dev/pull/648) | \n|[Merge for PR#894](https://github.com/USEPA/CMAQ/commit/baced51d9047a7814846cb54533e6a0dfe14832c) | [PR#894](https://github.com/USEPA/CMAQ_Dev/pull/894) | \n|[Merge for PR#638](https://github.com/USEPA/CMAQ/commit/cac8f6cbd55558c330549278d396a1d3920d2f80) | [PR#638](https://github.com/USEPA/CMAQ_Dev/pull/638) | \n|[Merge for PR#772](https://github.com/USEPA/CMAQ/commit/60af2e025519ccaed3a51feebda622d48e9f020a) | [PR#772](https://github.com/USEPA/CMAQ_Dev/pull/772) | \n" }, { "path": "DOCS/Release_Notes/CMAQ-Release-Notes:-Emissions-Updates:-Environmental-Policy-Integrated-Climate-(EPIC)-Model.md", "content": "### Improved NaN traps for EPIC input files\n[Jesse Bash](mailto:bash.jesse@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Bug fix \n**Release Version/Date**: CMAQv5.5 \n**Description**: CCTM crashes when debug flags are turned on if NaNs are present in EPIC input files and the current NaN traps do no work when running CCTM with debug compilation flags. The FORTRAN 2003 IEEE arithmetic function ieee_is_nan was implemented to correctly trap NaN in these inputs when running in debug mode. It is unclear why EPIC output contains sporadic NaNs, these are not visible Verdi or R and may have to do with a periodic error in specifying BADVAL3.\n\n**Significance and Impact**: Allows the user to run CCTM with bidirectional NH3 exchange with debug flags when EPIC data contains NaNs. Model runtime and results are unchanged. The FORTRAN 2003 IEEE arithmetic intrinsic functions are included in Intel 16+, PGI 16+ and GCC 5+ compiler versions.\n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#1036](https://github.com/USEPA/CMAQ/commit/68377cdbc6fcd4d4e8d0cb94e448fcb60b048fd7) | [PR#1036](https://github.com/USEPA/CMAQ_Dev/pull/1036) |" }, { "path": "DOCS/Release_Notes/CMAQ-Release-Notes:-Emissions-Updates:-Gridded-Emissions.md", "content": "# Gridded Emissions Changes\n\nNo changes were made to Gridded Emissions in CMAQv5.5." }, { "path": "DOCS/Release_Notes/CMAQ-Release-Notes:-Emissions-Updates:-Lightning-Emissions.md", "content": "### Lightning Emissions\n[Daiwen Kang](mailto:kang.daiwen@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Bug Fix \n**Release Version/Date**: CMAQv5.4 \n**Description**: \nThe time steps in the lightning NOx diagnostic files were from 1 t0 24 in the previous versions. For CMAQv5.4, the time steps for the diagnostic files are from 0 to 23 in agreement with other output files. \n**Significance and Impact**: No impact on results. \n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#819](https://github.com/USEPA/CMAQ/commit/a3626ee9e8b60f9b0526d942f4fd44a4e9db0fc5) | [PR#819](https://github.com/USEPA/CMAQ_Dev/pull/819) |\n" }, { "path": "DOCS/Release_Notes/CMAQ-Release-Notes:-Emissions-Updates:-Marine-Gas-Emissions.md", "content": "# Marine Gas Changes\n\nNo changes were made to Marine Gas Emissions in CMAQv5.5.\n\n" }, { "path": "DOCS/Release_Notes/CMAQ-Release-Notes:-Emissions-Updates:-Model-of-Emissions-of-Gases-and-Aerosols-from-Nature-(MEGAN)-Biogenic-Emissions.md", "content": "### BDSNP Dry Hours Calculation\n[Jeff Willison](mailto:willison.jeff@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Bug fix \n**Release Version/Date**: CMAQv5.5 \n**Description**: A bug in the pulsing subroutine of BDSNP was allowing for 24 additional time steps to be added to the dry hours total per day. On coarse grids with large time steps this bug was especially noticeable. For example, a 15 minute time step would would allow for accumulation of 30 dry hours per day. \n\n![Willison_MEGAN](https://github.com/user-attachments/assets/b35d125b-ce61-4ae4-be5a-fe5db2300724)\n\n\n**Significance and Impact**: The effect of the bug fix on soil NO is small, with a resultant decrease of 0.3% in total 2018 soil NO emissions over the Northern Hemisphere at 108 km grid spacing. \n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#1100](https://github.com/USEPA/CMAQ/commit/7c27b05203a677a078992d4cfc1d7f00e059eb68) | [PR#1100](https://github.com/USEPA/CMAQ_Dev/pull/1100) | \n\n### Improved NaN traps for EPIC and MEGAN input files\n[Jesse Bash](mailto:bash.jesse@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Bug fix \n**Release Version/Date**: CMAQv5.5 \n**Description**: CCTM crashes when debug flags are turned on if NaNs are present in EPIC input files and the current NaN traps do no work when running CCTM with debug compilation flags. The FORTRAN 2003 IEEE arithmetic function ieee_is_nan was implemented to correctly trap NaN in these inputs when running in debug mode. It is unclear why EPIC output contains sporadic NaNs, these are not visible Verdi or R and may have to do with a periodic error in specifying BADVAL3.\n\n**Significance and Impact**: Allows the user to run CCTM with bidirectional NH3 exchange with debug flags when EPIC data contains NaNs. Model runtime and results are unchanged. The FORTRAN 2003 IEEE arithmetic intrinsic functions are included in Intel 16+, PGI 16+ and GCC 5+ compiler versions.\n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#1036](https://github.com/USEPA/CMAQ/commit/68377cdbc6fcd4d4e8d0cb94e448fcb60b048fd7) | [PR#1036](https://github.com/USEPA/CMAQ_Dev/pull/1036) | \n\n### BDSNP nitrogen deposition reservoir bug fix\n[Jeff Willison](mailto:willison.jeff@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Bug fix\n\n**Release Version/Date**: CMAQv5.5 \n\n**Description**: \nThe soil nitrogen deposition reservoir (NDEPRES) was incorrectly calculated using online N deposition rates when the BDSNP soil NO option was enabled. This feature is not mature and contributes to unreasonably large NDEPRES values as the simulation progresses. This bug fix allows the MEGAN BDSNP module to use climatological N deposition rates from input files. The input files can be created using the MEGAN preprocessor along with the other necessary inputs for MEGAN and BDSNP.\n\n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#956](https://github.com/USEPA/CMAQ/commit/3f6b535c6a3b5ce9c5a58c7b8889e1f970b8f059) | [PR#956](https://github.com/USEPA/CMAQ_Dev/pull/956) | \n\n### New Biogenic Emissions Option, The Model of Emissions of Gases and Aerosols from Nature (MEGAN)\n[Jeff Willison](mailto:willison.jeff@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Science Update \n\n**Release Version/Date**: CMAQv5.4 \n\n**Description**: \nMEGAN 3.2 is available in CMAQv5.4 as an additional option for inline biogenic emissions. Input files will be available for several domains at release, but users can download the MEGAN preprocessor to create their own (https://bai.ess.uci.edu/megan/data-and-code). Soil NO can be calculated using the Berkeley-Dalhousie Soil NOx Parameterization (BDSNP) or an implementation of Yinger and Levy (YL95) when MEGAN is enabled. \n\nUsers may enable MEGAN and BEIS emission streams simultaneously to select species from a given stream through the emission control file. This approach allows the use of BDSNP with BEIS, the use of BEIS-YL95 with MEGAN, etc. See Chapter 4 of the user guide for more information about required inputs, and Chapter 6 for more information about configuration options and recommendations. \n\n**References**: Guenther, A., Jiang, X., Shah, T., Huang, L., Kemball-Cook, S., and Yarwood, G., Model of Emissions of Gases and Aerosol from Nature Version 3 (MEGAN3) for Estimating Biogenic Emissions: Air Pollution Modeling and its Application XXVI, edited by Mensink, C., Gong, W., and Hakami, A., pp. 187–190, Springer International Publishing, Cham, 2020.\n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#652](https://github.com/USEPA/CMAQ/commit/0a82257b1f8a43b0315f7f44b7a9b5dd9d2a1801) | [PR#652](https://github.com/USEPA/CMAQ_Dev/pull/652) | \n|[Merge for PR#701](https://github.com/USEPA/CMAQ/commit/49f5cf29d8991239e6fb0cda2702fdee65c7b981) | [PR#701](https://github.com/USEPA/CMAQ_Dev/pull/701) | \n|[Merge for PR#889](https://github.com/USEPA/CMAQ/commit/1916ef06c4dc9ea5b7d67ece1d96654d07203cde) | [PR#889](https://github.com/USEPA/CMAQ_Dev/pull/889) | \n\n" }, { "path": "DOCS/Release_Notes/CMAQ-Release-Notes:-Emissions-Updates:-Point-Source-Emissions.md", "content": "# Point Source Emissions Changes\n\nNo changes were made to Point Source Emissions in CMAQv5.5." }, { "path": "DOCS/Release_Notes/CMAQ-Release-Notes:-Emissions-Updates:-Sea-Spray-Aerosol-Emissions.md", "content": "# Sea-Spray Aerosol Changes\n\nNo changes were made to Sea Spray Emissions in CMAQv5.5." }, { "path": "DOCS/Release_Notes/CMAQ-Release-Notes:-Emissions-Updates:-Wind-Blown-Dust-Emissions.md", "content": "### Windblown Dust Emissions \n[Jeff Willison](mailto:willison.jeffrey@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Science Update and Bug Fix \n**Release Version/Date**: CMAQv5.4 \n**Description**: \nSeveral updates have been made to the windblown dust routine for CMAQ 5.4. The module has been updated to include additional PX soil texture information from WRF when available. The fugitive dust subroutines tfabove.F and tfbelow.F have been removed, since these were not originally intended to be used with windblown dust sources. \n\nThe option of using BELD3 as a windblown dust input has been removed. BELD3 is outdated and in CMAQ 5.3 the windblown dust module did not support BELD4 or BELD5. Beginning in CMAQ 5.4 the necessary land use information for windblown dust is taken from MCIP input files or WRF. For CMAQ 5.4 we strongly recommend the use of WRFv4.1+ and the PX LSM when enabling windblown dust emissions. \n\nLastly, a bug was corrected that was causing low erodibility values and significantly lower dust emissions when using WRFv4 inputs. \n\n**Significance and Impact**:\n\nA consequence of removing BELD as an option from windblown dust is that the DUST_LU* files are no longer needed. They have been removed from the CCTM code and the run scripts.\n\nThe following plot summarizes the impact of the remaining changes above: \n\n![image](https://user-images.githubusercontent.com/47453034/192348532-00cc147a-df4f-47dc-a5d5-b57ff315a9ec.png)\n\nAgain, note, in the image above, the impacts of changing windblown dust input data from BELD to MCIP/WRF is not shown, but was not found to be a large contributor to the changes seen. As can be seen the largest change on modeled windblown dust is a result of the bug fix that was causing low erodibility values. \n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#877](https://github.com/USEPA/CMAQ/commit/632673aa0abc81a4f88223e67744a3744174708d) | [PR#877](https://github.com/USEPA/CMAQ_Dev/pull/877) |" }, { "path": "DOCS/Release_Notes/CMAQ-Release-Notes:-Instrumented-Models.md", "content": "# Instrumented Models\n\nThis page contains links to Wiki pages describing current and past changes to CMAQ Instrumented Models. \n\n * [CMAQ-ISAM](./CMAQ-Release-Notes:-Instrumented-Models:-CMAQ-ISAM.md): The Integrated Source Apportionment Method (ISAM) calculates source attribution information for user specified ozone and particulate matter precursors within the CMAQ model. For more information about this method see [Chapter 11](../Users_Guide/CMAQ_UG_ch11_ISAM.md).\n * [CMAQ-DDM3D](./CMAQ-Release-Notes:-Instrumented-Models:-CMAQ-DDM3D.md): The Decoupled Direct Method in Three Dimensions (DDM-3D) provides CMAQ concentration and deposition sensitivity information for user specified model parameters. For more information about this method see [Chapter 10](../Users_Guide/CMAQ_UG_ch10_HDDM-3D.md).\n \n\n" }, { "path": "DOCS/Release_Notes/CMAQ-Release-Notes:-Instrumented-Models:-CMAQ-DDM3D.md", "content": "### CMAQ-HDDM-3D Second Order Sensitivity Fix \n[Sergey L. Napelenok](mailto:contact.email@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Bug Fix \n**Release Version/Date**: CMAQv5.5 \n**Description**: A bug made its way into the chemistry routines that calculated 2nd order sensitivities (HDDM-3D) resulting in erroneous output for these parameters. Additionally, there are some runtime errors in the log files associated with writing out deposition sensitivity output. Finally, dry deposition sensitivities were not written out correctly. \n\n*Note that DDM-3D is not compatible with the STAGE deposition model in CMAQv5.5.*\n\n\n**Significance and Impact**: Second order sensitivities will now provide correct output and the log files will no longer display error messages about deposition sensitivities. Sensitivity of dry depositions will now output correctly past the 1st parameter. \n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#971](https://github.com/USEPA/CMAQ/commit/b39c23827b1d68a661d4b45815229e22d8691c03) | [PR#971](https://github.com/USEPA/CMAQ_Dev/pull/971) |\n\n\n### CMAQ-DDM-3D potential vorticity sensitivity \n[Sergey L. Napelenok](mailto:contact.email@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Science Update \n**Release Version/Date**: CMAQv5.5 \n**Description**: It is possible to compute sensitivity to ozone incursions at the top of the simulated volume if the base model is compiled with potential vorticity module enabled. For CMAQ-DDM-3D, the sensitivity is to the total domain-wide incursion. \n**Significance and Impact**: The sensitivity parameter is defined in the control file as follows:\n\n EPV \n PVO3 \n SPECIES \n O3 \n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#957](https://github.com/USEPA/CMAQ/commit/bb4ebd757ebbb70f0f5e7ce32db52c716d08fdc8) | [PR#957](https://github.com/USEPA/CMAQ_Dev/pull/957) |\n\n\n### CMAQ-DDM-3D Version 5.4\n[Sergey L. Napelenok](mailto:contact.email@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Science Update \n**Release Version/Date**: CMAQv5.4 \n**Description**: CMAQ-DDM-3D has been fully integrated into the base model. There is no longer a separate repository, and the sensitivity calculations are accessed through compiler flags set in the build script and by completing the appropriate sections of the run script. These options are demonstrated in the sample scripts provided with the release of the base model.\n\nAdditionally, some code structure changes were made to the DDM-3D mainly in the gas phase chemistry routines. Of note is the ability of the model to now calculate gas phase Jacobians inline making the code more flexible to accept new chemical mechanisms as well as changes to existing ones. \n\n*Note that DDM-3D is not compatible with the STAGE deposition model in CMAQv5.4.*\n\n**Significance and Impact**: No changes to sensitivity outputs should be expected in this release outside the ones caused by modifications of the base CMAQ science routines. \n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#609](https://github.com/USEPA/CMAQ/commit/2195617d6a2ff682c8089bcf82674a3862d73efb) | [PR#609](https://github.com/USEPA/CMAQ_Dev/pull/609) |\n|[Merge for PR#630](https://github.com/USEPA/CMAQ/commit/b78c26bccdba7cafcadb2a6ca58ec10317c31b5f) | [PR#630](https://github.com/USEPA/CMAQ_Dev/pull/630) |\n|[Merge for PR#922](https://github.com/USEPA/CMAQ/commit/df82fd1c8381f873d9b56ab74a2af6b9ed4ee61e) | [PR#922](https://github.com/USEPA/CMAQ_Dev/pull/922) |\n|[Merge for PR#929](https://github.com/USEPA/CMAQ/pull/929#issuecomment-1169352469) | [PR#929](https://github.com/USEPA/CMAQ_Dev/pull/929) |\n|[Merge for PR#930](https://github.com/USEPA/CMAQ/commit/72765f335188d9b32a24dc8281fa248b139b3b2a) | [PR#930](https://github.com/USEPA/CMAQ_Dev/pull/930) |\n|[Merge for PR#935](https://github.com/USEPA/CMAQ/commit/7ae4c28e8a50c56f9b0dd4aa3319abdcfcbc36c4) | [PR#935](https://github.com/USEPA/CMAQ_Dev/pull/935) |\n|[Merge for PR#946](https://github.com/USEPA/CMAQ/commit/dddfab60e47bdf9b9782252dc5d85bf0d962ebe1) | [PR#946](https://github.com/USEPA/CMAQ_Dev/pull/946) |\n\n\n### Speed up DDM3 solution of Gas Chemistry Sensitivities\n[William T. Hutzell](mailto:hutzell.bill@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Science/Numerical Update \n**Release Version/Date**: CMAQ version 5.4\n\n**Description**: In DDM3D's method for solving sensitivities from gas chemistry, code changes shortened CMAQ_DDM3D runtimes by 15% to 35% dependent on the chemical mechanism used. The changes also implemented DDM3D's approach for gas chemistry in the Rosenbrock and SMVGear solvers so CMAQ_DDM3D can use any of the available gas chemistry solvers. The option better supports using CMAQ_DDM3D built with the cb6r5m_ae7_aq mechanism because the Rosenbrock solver is recommended for the cb6r5m_ae7_aq mechanism.\n\nChanges reduced runtimes by modifying setting and calculating the gas chemistry Jacobian. The modification reorders chemistry species defining the Jacobian's rows and columns based on the number of nonzero values in rows for each chemistry species. The number measures the coupling of a species to other chemistry species. The reordering seeks to put the Jacobian closer to a lower triangular matrix and simplify the LU decomposition of the chemistry Jacobian used by CMAQ_DDM3D. It may also make the process more accurate by reducing the number of floating operations.\n\n**Significance and Impact**: \n\nChanges have no impact of predicted concentrations and deposition of the base model species but they do altered sensitivity predictions from the DDM3D algorithm by a few percent or less. The exception is for sulfur dioxide and aerosol sulfate in the accumulation mode. Tests that turned off cloud chemistry removed this exception and may indicate that DDM3D has feedback between gas and cloud chemistry regarding predicted sensitivities for sulfate production. Overall the code change reduce DDM3D runtime and allow the CMAQ_DDM3D to used an EBI solver for the chemical mechanism, or a generalized chemistry solver such Rosenbrock and SMVGear\n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#935](https://github.com/USEPA/CMAQ/commit/7ae4c28e8a50c56f9b0dd4aa3319abdcfcbc36c4) | [PR#935](https://github.com/USEPA/CMAQ_Dev/pull/935) |\n|[Merge for PR#630](https://github.com/USEPA/CMAQ/commit/b78c26bccdba7cafcadb2a6ca58ec10317c31b5f) | [PR#630](https://github.com/USEPA/CMAQ_Dev/pull/630) |" }, { "path": "DOCS/Release_Notes/CMAQ-Release-Notes:-Instrumented-Models:-CMAQ-ISAM.md", "content": "## Source Apportionment of SOA\n[Ben Murphy](mailto:murphy.ben@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Science Update \n**Release Version**: CMAQv5.5 \n\n**Description**: The changes expand ISAM capabilities to quantify source contributions to total secondary organic aerosol (SOA) and individual species.\n\n**Significance and Impact**: The model update extends the apportionment already represented for VOC species to their oxidation products and finally to the aerosol counterparts of those products. The connections between reversibly partitioning particle- and vapor-phase species are prescribed in the main table for aerosol parameters in AERO_DATA.F. Some SOA species are so low in volatility that they irreversibly partition to the particle phase. These species are connected to their reaction counter variable from the gas-phase mechanism.\n\nDynamic equilibrium is a challenging concept in the context of source apportionment. If mass is transferred to and from both the particle and vapor phases during a time step, then it is difficult to represent the mixing of source attribution that most likely occurs. As a simplification, CMAQ-ISAM assumes that the particle- and vapor-phase source attribution for each species are identical at the end of the time step. Nevertheless, attribution typically varies widely from species to species, and this variability impacts the apparent source attribution of the bulk SOA.\n\nWith SOA source apportionment now supported, all components of the particulate and gas phases are represented by CMAQ-ISAM and the apportionment of bulk PM metrics may be quantified. \n\nIn the example below, CMAQ-ISAM is used to investigate how SOA formed from biogenic VOCs is impacted by anthropogenic sources. Between 2005 and 2018, US NOX and SO2 emissions reductions yielded substantial reductions in this \"biogenic SOA\". \n\n\n\n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#773](https://github.com/USEPA/CMAQ/commit/f36332fdb4986a657acbf5e7b3d9a96d65389253) | [PR#773](https://github.com/USEPA/CMAQ_Dev/pull/773) |\n|[Merge for PR#699](https://github.com/USEPA/CMAQ/commit/9957dc5f89879a0a58dec83685a2629a6c075564) | [PR#699](https://github.com/USEPA/CMAQ_Dev/pull/699) |\n| [Merge for PR#698](https://github.com/USEPA/CMAQ/commit/f5756e053dac4184474c15e9e38793bf872b5463)| [PR#698](https://github.com/USEPA/CMAQ_Dev/pull/698) |\n| [Merge for PR#676](https://github.com/USEPA/CMAQ/commit/5a365698f578e6ca1bc82291c87e0b5dbc8b7cd4)| [PR#676](https://github.com/USEPA/CMAQ_Dev/pull/676) |\n| [Merge for PR#675](https://github.com/USEPA/CMAQ/commit/77d4685a63f09bc4c1a0baf4ffda8a657a61a676)| [PR#675](https://github.com/USEPA/CMAQ_Dev/pull/675) |\n\n\n## Correct ISAM for aerosol sedimentation\n[William T. Hutzell](mailto:hutzell.bill@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Science Update \n**Release Version**: CMAQv5.5 \n\n**Description**: \nAllows the CMAQ ISAM model to account for loss of aerosol mass from gravitational sedimentation. \n\n**Significance and Impact**: The changes improves ISAM predictions for aerosol contributions for source sectors so the sum over source sectors better agrees with the concentrations. The improvements are strongest for coarse aerosols species that do not have complex aerosol chemistry. Aerosol species representing toxic metals belong to this category. Improvement was also noticed in accumulation and coarse modes for sulfate. However, the Normalized Mean Bias shifted from negative to positive in the accumulation modes for toxic metals but remained less than one precent. \n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#979](https://github.com/USEPA/CMAQ/commit/c862ad8f561eb14196a6bb81329242940c8e1b8c) | [PR#979](https://github.com/USEPA/CMAQ_Dev/pull/979) |\n\n\n## ISAM Cloud Processing Update\n[Sergey L. Napelenok](mailto:contact.email@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Bug Fix \n**Release Version**: CMAQv5.5 \n\n**Description**: In rare instances, the slight difference in mass between the sum of tags and the corresponding bulk quantity leads to instability in ISAM results. This PR also addresses the zero arrays for the first hour of the ISAM output files. \n\n**Significance and Impact**: Some instabilities in the ISAM results can manifest as a results of how mass is distributed between tags immediately after cloud chemistry processing. ISAM output files will also have not-zero values during the first output timestep. \n\n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#1057](https://github.com/USEPA/CMAQ/commit/d026eddeaf7c12c7e0828ce1528878ed794fa93e) | [PR#1057](https://github.com/USEPA/CMAQ_Dev/pull/1057) |\n\n\n## CMAQ-ISAM Bug Fixes to CMAQ-ISAM released with v5.4 \n[Sergey L. Napelenok](mailto:contact.email@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Bug Fix \n**Release Version**: CMAQv5.5 \n\n**Description**: This update includes several bugfixes: \n1. CMAQ-ISAM crashes when compiled in debug mode and run for the TAGCLASS 'PM_TOT'. This error relates to aerosol indexing of water species. \n2. The CMAQ-ISAM apportionment of the species 'AORGCJ' was not being calculated correctly, resulting in extremely high values (~E+20). 'AORGCJ' is tracked when the 'ALL' TAGCLASS is defined, but was not being properly tracked through aqueous chemistry. Additionally, 'MGLY' a precursor to 'AORGCJ' was missing from the CMAQ-ISAM gas species. \n3. CMAQ-ISAM crashes when compiled in debug mode and run for the TAGCLASS 'ALL'. This error relates to CMAQ-ISAM tracking air density and incorrectly trying to do unit conversions on this species. \n4. Ground level production and loss calculations in the deposition modules (M3DRY and STAGE) was incorrect. \n\n**Significance and Impact**: No impact on CMAQ species concentrations found in the \"CCTM_CONC* & CCTM_ACONC*\" files. \n1. The model no longer crashes in debug mode for the TAGCLASSES 'PM_TOT'. \n2. The addition of 'MGLY' may impact O3 apportionment in some application. 'AORGCJ' apportionment no longer produces high values. \n3. The model no longer crashes in debug mode for the TAGCLASSES 'ALL'. \n4. The changes to ground level production and loss terms may impact a number of tracked CMAQ-ISAM species and TAGCLASSES depending on the case. \n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#973](https://github.com/USEPA/CMAQ/commit/3a6ad06d130b6dc81de1cc2ccc8a4ed0da448099) | [PR#973](https://github.com/USEPA/CMAQ_Dev/pull/973) |\n\n\n## CMAQ-ISAM potential vorticity apportionment \n[Sergey L. Napelenok](mailto:contact.email@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Science Update \n**Release Version**: CMAQv5.5 \n \n**Description**: It is possible to apportion species in the OZONE TAGCLASS to ozone incursions at the top of the simulated volume if the base model is compiled with potential vorticity module enabled. For CMAQ-ISAM, this apportionment can be further subdivided by geographical region. \n\n**Significance and Impact**: Ozone introduced at the top of the model can be tracked by specifying the keyword 'PVO3' in the 'EMIS STREAM(S)' section of the control file as follows:\n\n TAG NAME |PVO \n REGION(S) |EVERYWHERE \n EMIS STREAM(S) |PVO3 \n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#957](https://github.com/USEPA/CMAQ/commit/bb4ebd757ebbb70f0f5e7ce32db52c716d08fdc8) | [PR#957](https://github.com/USEPA/CMAQ_Dev/pull/957) |\n\n\n## CMAQ-ISAM version 5.4\n[Sergey L. Napelenok](mailto:contact.email@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Science Update \n**Release Version**: CMAQv5.4 \n \n**Description**: \nThe changes to ISAM include the added flexibility for the user to define how secondarily formed gaseous species are assigned to sources of parent reactants. Previously, daughter products were always assigned equally among the parents. However, in some applications, particularly in O3 apportionment, other assignment schemes are desired and requested by the users. The following options are now available in CMAQ-ISAM:\n\nOption 1. Equal assignment (previous version).\n\nOption 2. If parent reactants include the species NO, NO2, NO3, HONO, or ANO3, assignment to these sources only. Reactions without these species proceed with equal assignment.\n\nOption 3. Option 2 with species list expanded to include reactive VOC species and radicals. Reactions without these species proceed with equal assignment.\n\nOption 4. If parent reactants include the reactive VOC species and radicals, assignment to these sources only. Reactions without these species proceed with equal assignment.\n\nOption 5. Assignment is based on the ratio of production H2O2 to production HNO3. Reactions without the nitrogen species listed above and reactive VOCs proceed with equal assignment.\n\nAdditionally, the transitional value for Option 5 is also customizable (default is PH2O2/PHNO3=0.35). \n\n**Significance and Impact**: \nThe changes here allow for greater ISAM user flexibility. Please, refer to the User's Guide chapter on ISAM for additional information. \n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#473](https://github.com/USEPA/CMAQ/commit/e57609fda0b2ebfe536160663140bba5a7e3aadc) | [PR#473](https://github.com/USEPA/CMAQ_Dev/pull/473) |\n|[Merge for PR#579](https://github.com/USEPA/CMAQ/commit/d4a1b233cb5a04ed475b5d2efd6470ac3d90fe3d) | [PR#579](https://github.com/USEPA/CMAQ_Dev/pull/579) |\n|[Merge for PR#620](https://github.com/USEPA/CMAQ/commit/0945d28d177dbde3157e12e5f4bed32b2cce30cd) | [PR#620](https://github.com/USEPA/CMAQ_Dev/pull/620) |\n|[Merge for PR#644](https://github.com/USEPA/CMAQ/commit/65cea9503a2ff489d4e9fdc8b7fec349669424fb) | [PR#644](https://github.com/USEPA/CMAQ_Dev/pull/644) |\n|[Merge for PR#649](https://github.com/USEPA/CMAQ/commit/d80a986b1ad1559d26216895a2baec78893402f6) | [PR#649](https://github.com/USEPA/CMAQ/pull/649) |\n|[Merge for PR#650](https://github.com/USEPA/CMAQ/commit/c545abd1cb28be92d346d756bc281994a95dac8d) | [PR#650](https://github.com/USEPA/CMAQ_Dev/pull/650) |\n|[Merge for PR#655](https://github.com/USEPA/CMAQ/commit/155bdeef0d62caec50c31f46c784b6f2dfa89df6) | [PR#655](https://github.com/USEPA/CMAQ_Dev/pull/655) |\n|[Merge for PR#661](https://github.com/USEPA/CMAQ/commit/2c30969f720575d0281532113228b21d88a4d3e6) | [PR#657](https://github.com/USEPA/CMAQ_Dev/pull/657) |\n|[Merge for PR#661](https://github.com/USEPA/CMAQ/commit/f15d6a8fe67c0b81ad944a30d43b919915c6593e) | [PR#661](https://github.com/USEPA/CMAQ_Dev/pull/661) |\n|[Merge for PR#675](https://github.com/USEPA/CMAQ/commit/77d4685a63f09bc4c1a0baf4ffda8a657a61a676) | [PR#675](https://github.com/USEPA/CMAQ_Dev/pull/675) |\n|[Merge for PR#676](https://github.com/USEPA/CMAQ/commit/5a365698f578e6ca1bc82291c87e0b5dbc8b7cd4) | [PR#676](https://github.com/USEPA/CMAQ_Dev/pull/676) |\n|[Merge for PR#698](https://github.com/USEPA/CMAQ/commit/f5756e053dac4184474c15e9e38793bf872b5463) | [PR#698](https://github.com/USEPA/CMAQ_Dev/pull/698) |\n|[Merge for PR#699](https://github.com/USEPA/CMAQ/commit/9957dc5f89879a0a58dec83685a2629a6c075564) | [PR#699](https://github.com/USEPA/CMAQ_Dev/pull/699) |\n|[Merge for PR#778](https://github.com/USEPA/CMAQ/commit/b938e98a8e1fdb4678ae89ee33f1d3457c850331) | [PR#778](https://github.com/USEPA/CMAQ_Dev/pull/778) |\n\n\n## CMAQ-ISAM tagclasses for Hazardous Air Pollutants (HAPs) \n[William T. Hutzell](mailto:hutzell.bill@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: New Feature \n**Release Version**: CMAQv5.4 \n \n**Description**: Several tagclasses were added to CMAQ-ISAM to track the source contributions for HAPs. The below table lists the tagclasses and their HAPs.\n\n| Tagclass Name | HAPS1 |\n|:------------- |:-----|\n| HAP_GAS | formaldehyde, acetaldehyde, 1,3-butadiene, acrolein, molecular chlorine |\n| HAP_AERO | aerosol bound nickel, lead, trivalent chromium, hexavalent chromium, beryllium, cadmium, diesel emissions, manganese from the Air Toxics Inventory, and arsenic |\n| PAH_TEQ | Polycycle Aromatic Compounds lumped based on Toxic Equivalency Quotient |\n| MERCURY | Gas and Aerosol Phases of Atmospheric Mercury |\n| BENAPYRENE | Gas and Aerosol Phases of Benzo[a]pyrene |\n1. The exact species available per Tagclass depends on the chemical mechanism and the name-lists used.\n\n**Significance and Impact**: Based on the chemical mechanism used, the new tagclasses allow simulating how the emissions source contribute to concentrations and deposition of HAPS in air toxic assessments.\n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#922](https://github.com/USEPA/CMAQ/commit/df82fd1c8381f873d9b56ab74a2af6b9ed4ee61e) | [PR#922](https://github.com/USEPA/CMAQ_Dev/pull/922) |\n|[Merge for PR#887](https://github.com/USEPA/CMAQ/commit/2a64783ac1d0f6dc8ad708920f112c6f2035f8bc) | [PR#887](https://github.com/USEPA/CMAQ_Dev/pull/887) |\n|[Merge for PR#773](https://github.com/USEPA/CMAQ/commit/f36332fdb4986a657acbf5e7b3d9a96d65389253) | [PR#773](https://github.com/USEPA/CMAQ_Dev/pull/773) |\n|[Merge for PR#699](https://github.com/USEPA/CMAQ/commit/9957dc5f89879a0a58dec83685a2629a6c075564) | [PR#699](https://github.com/USEPA/CMAQ_Dev/pull/699) |\n" }, { "path": "DOCS/Release_Notes/CMAQ-Release-Notes:-MPAS-CMAQ-Coupled-Model.md", "content": "# MPAS-CMAQ Coupled Model\n\n## New MPAS-CMAQ model\n[Jeff Willison](mailto:willison.jeff@epa.gov), U.S. Environmental Protection Agency \n**Type of update:** New Feature \n**Release Version/Date:** CMAQv5.5 \n\n**Description:** CMAQ simulations often rely on community-developed meteorological models developed and maintained by the National Center for Atmospheric Research (NCAR). NCAR has created the Model for Prediction Across Scales (MPAS) as the successor to the decades-old Weather Research and Forecasting model (WRF). NCAR has signaled that WRF development will wind down over the next decade. In response, EPA is preparing for a gradual transition of the CMAQ ecosystem from WRF to MPAS. Unlike WRF, MPAS supports global domains with seamless regional resolution refinement over areas of interest. CMAQ version 5.5 will be the first publicly available version of CMAQ’s chemical transport model that supports coupling with MPAS. \n\nMPAS-CMAQ code is available in [a branch of the CMAQ repository](https://github.com/USEPA/CMAQ/tree/MPAS_CMAQ) and includes new directories mio and mpas_cmaq in CCTM/src. The mio directory includes a prototype of an I/O system that removes dependence on I/O API. The mpas_cmaq directory includes a coupling interface for use with MPAS. For the initial release a configuration has been designed for use with the CRACMM2 mechanism on a 120 km uniform global mesh. Not all CMAQ features are supported at this time. See the [user guide](https://github.com/USEPA/CMAQ/blob/main/DOCS/Users_Guide/PDF/CMAQ_UG_09_2019.pdf) for more information about downloading the required [MPAS code](https://github.com/USEPA/MPAS), [CMAQ code](https://github.com/USEPA/CMAQ/tree/MPAS_CMAQ), and [available inputs](https://mpas-cmaq.s3.amazonaws.com/index.html). The user guide also includes a description of available features and instructions for building and running the MPAS-CMAQ model.\n\n \n![image](https://github.com/user-attachments/assets/fedc3e86-7af2-4759-9bdd-d687de9e1d5f)\n \n\n**References** \nWong, D., Willison, J., Pleim, J.E., Sarwar, G., Beidler, J., Bullock, O. R., Herwehe, J.A., Gilliam, R., Kang, D., Hogrefe, C., Pouliot, G., and Foroutan, H. (2024). Development of the MPAS-CMAQ Coupled System (V1.0) for Multiscale Global Air Quality Modeling. Geosci. Model Dev. Discussions (preprint), [https://doi.org/10.5194/gmd-2024-52](https://doi.org/10.5194/gmd-2024-52).\n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#1188](https://github.com/USEPA/CMAQ/commit/bdd6aeb895a42a2615f9d752ececb5bd96b1d303) | [PR#1188](https://github.com/USEPA/CMAQ_Dev/pull/1188) |\n" }, { "path": "DOCS/Release_Notes/CMAQ-Release-Notes:-PYTOOLS.md", "content": "# PYTOOLS\n\n## [shp2cmaq: Create CMAQ-Ready File from Shapefile](../../PYTOOLS/shp2cmaq/README.md)\n[Barron Henderson](mailto:henderson.barron@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: New Pre-Processing Tool \n**Release Version/Date**: CMAQv5.5 \n\n**Description**: This Python Notebook converts GIS shapefiles into gridded netCDF mask files that represent spatial features such as political boundaries. This tool works on both CONUS and Northern Hemisphere domains and has the capability to represent quantitative variables such as population. The CMAQ-ready mask files can be used for [defining regions and region families with DESID](../Users_Guide/Appendix/CMAQ_UG_appendixB_emissions_control.md#b34-defining-and-using-regions-and-region-families) and using [geographic source regions when running CMAQ-ISAM](../Users_Guide/CMAQ_UG_ch11_ISAM.md#1131-isam-control-file-sa_iolist). The mask files can also be used to spatially subset CMAQ input and output files for analysis, for example calculating emissions totals by state or averaging modeled ambient concentrations over census tracts. The code relies on [geopandas](https://geopandas.org/en/stable/) and [cmaqsatproc](https://github.com/barronh/cmaqsatproc) to perform spatial operations and create IOAPI-like files for CMAQ. The overall process requires a shapefile with attributes and a GRIDDESC file. It produces variables that specify grid cell fractional coverage by each unique value of a specified attribute. It also produces total and dominant attribute variables. The total specifies the fraction coverage of any attribute. The dominant variable specifies which attribute has the largest area coverage. \n \n**Example of a gridded mask file for state boundaries in the contiguous US.**\n\n\n**Significance and Impact**: No impact on core model results. The significance of this tool is to provide a simple shapefile processor to use the DESID masking feature. Spatial mask files can also be used for ISAM simulations or as part of post-processing model output. \n\n**References**: \n[DESID Tutorial](../Users_Guide/Tutorials/CMAQ_UG_tutorial_emissions.md) \n[ISAM Tutorial](../Users_Guide/Tutorials/CMAQ_UG_tutorial_ISAM.md) \n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#904](https://github.com/USEPA/CMAQ/commit/cff875c350f99422bc56d43367762516aa15aa14) | [PR#904](https://github.com/USEPA/CMAQ_Dev/pull/904) | \n\n## [DMSCHLO: Augment the Standard Ocean File for Marine Chemistry](https://github.com/USEPA/CMAQ/blob/main/PYTOOLS/dmschlo/README.md)\n[Barron Henderson](mailto:henderson.barron@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: New Pre-Processing Tool \n**Release Version/Date**: CMAQv5.4 \n \n**Description**: Depending on the chemical mechanism selected, the traditional \"Ocean\" file maybe required to contain temporal ocean dimethyl sulfide (DMS) and chlorophyll-a (CHLO) concentrations for atmospheric DMS and halogen chemistry, respectively. To create these fields for input, a new Python tool called \"DMSCHLO\" is released to augment standard CMAQ \"Ocean\" files with this data. \n\n**Significance and Impact**: No impact on core model results. The significance of this tool is to provide an easy to use tool in which to augment the standard \"Ocean\" file for use with CCTM. See the [Ocean File Tutorial](../Users_Guide/Tutorials/CMAQ_UG_tutorial_oceanfile.md) for further information. \n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#903](https://github.com/USEPA/CMAQ/commit/7e91d013bf75699783bb03773d5e9da2fb66b99f) | [PR#903](https://github.com/USEPA/CMAQ_Dev/pull/903) | \n\n\n\n\n\n" }, { "path": "DOCS/Release_Notes/CMAQ-Release-Notes:-Postprocessors.md", "content": "# Post-processors\n\n## [calc_tmetric](../../POST/calc_tmetric/README.md) \n No changes were made to this tool in CMAQv5.5.\n\n\n## [combine](../../POST/combine/README.md)\n\n### Improve Checks on Formulas Used by COMBINE\n[William T. Hutzell](mailto:Hutzell.Bill@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Bug Fix \n**Release Version/Date**: CMAQv5.5 \n**Description**: The update to COMBINE detects and reports syntax errors in a species definitions files listed below. Error messages list the syntax error so the user can more easily correct the definitions file. Note that COMBINE stops at the first detected error so correcting a species definitions file is an iterative process if the file contains several errors. \n````\nO3_ERROR1 , ppmV, O3[1]/ \nO3_ERROR2 , ppmV, O3[1]\\* \nO3_ERROR3 , ppmV, O3[1]+\nO3_ERROR4 , ppmV, O3[1].1000. \nO3_ERROR5 , ppmV, O3[1]y1000.\nO3_ERROR5 , ppmV, O3[1]O3[1] \n```` \n\n**Significance and Impact**: Prevents Errors in Results from Postprocessing by COMBINE \n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#1091](https://github.com/USEPA/CMAQ/commit/b4ff5c9631caa1361593656c38b70715211e11f7) | [PR#1091](https://github.com/USEPA/CMAQ_Dev/pull/1091) | \n\n### Corrected Deposition Species Definition (SpecDef_Dep) files for missing nitrogen species\n[Jesse Bash](mailto:Bash.Jesse@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Bug Fix \n**Release Version/Date**: CMAQv5.5 \n**Description**: There are a couple of issues with the SpecDef_Dep files resulting in the underestimation of total nitrogen deposition. The following changes were made to be more consistent with new NADP wet deposition and field scale dry deposition measurements: \n1. HNO4 (PNA) was missing from oxidized dry deposition \n2. NO3 radicle was omitted from oxidized dry and wet deposition\n3. CLNO2 and CLNO3 were omitted from oxidized dry and wet deposition \n4. cb6 was missing MTNO3J in the organic N deposition\n5. PANT was not added to the organic N deposition \n\n**Significance and Impact**: This does not change model results and only modifies post processing. The impact on post processed wet deposition results are minimal. The omissions from the dry deposition variables can amount to about a 1% increase in the post processed results. However, the largest increases are in remote vegetated and coastal areas which tend to be more sensitive to nitrogen loading. \n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#1063](https://github.com/USEPA/CMAQ/commit/24c0840315978f94541d8b6288163e7a54c8694d) | [PR#1063](https://github.com/USEPA/CMAQ_Dev/pull/1063) | \n\n### CRACMM SpecDef Deposition Updates for HNO4 and CLNO2\n[Havala Pye](mailto:Pye.Havala@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Bug Fix \n**Release Version/Date**: CMAQv5.5 \n**Description**: Removes any formulas that include \"CLNO2\", CRACMM does not have \"CLNO2\". Fixes any formulas that contain \"PNA\", which is named \"HNO4\" in CRACMM. \n**Significance and Impact**: Enables automated post processing of deposition via combine. Does not affect model results. \n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#966](https://github.com/USEPA/CMAQ/commit/1433cdb44cdc64b4f8209cf388c034510b18856e) | [PR#966](https://github.com/USEPA/CMAQ_Dev/pull/966) | \n\n## [hr2day](../../POST/hr2day/README.md)\n### Updating tz.csv to Natural Earth \n**Primary Contact**: [Barron Henderson](mailto:henderson.barron@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Change in input file \n**Release Version/Date**: CMAQv5.5 \n\n**Description**: The tz.csv file is used to assign a time zone offset to each CMAQ grid cell. This is then used by hr2day to calculate daily metrics in Local Standard Time (LST). The previous tz.csv seems to have unrealistic boundaries and what must be typos in other places. In addition, the tz.csv file has origins that are lost to history. We do not know on what database it was founded on or how it was converted.\n\nThe previous tz.csv file was compared to two other time zone databases: tz_world.geojson [1] and Natural Earth [2]. The other databases were found to be more consistent in terms of the time zone boundaries. In addition, there were several locations in the western US in the previous tz.csv file with an offset of -5 UTC in otherwise Mountain time zones, which were likely typos. \n\nA new tz.csv file was created from the Natural Earth 10m time zone shapefile (v4.1.0)[2]. The new tz.csv file is 2.5 MB, compared to the 4 MB original. The new file is smaller because it does not attempt to hug coastal boundaries, but instead allows for time zones that extend into the water to do so. \n\n**Significance and Impact**: This will not affect model concentrations, but it will impact h2day calculations because small areas have updated time zones. This tends to matter most along the edges of time zones. The original, new, and difference in \"TZ hours behind UTC\" are shown below. \n\n\"image\"\n\n**References**: \n[1] http://efele.net/maps/tz/world/ \n[2] https://www.naturalearthdata.com/downloads/10m-cultural-vectors/timezones/ \n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#1017](https://github.com/USEPA/CMAQ/commit/d7d24f8f2ca536353fc9983fd4301319da8fbead) | [PR#1017](https://github.com/USEPA/CMAQ_Dev/pull/1017) | \n\n### Clarification of W126 Daily Index Computation and Minor Code Corrections\n[Christian Hogrefe](mailto:hogrefe.christian@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: documentation, minor bug fix \n**Release Version/Date**: CMAQv5.4 \n**Description**: Updated the README and inline code documentation to clarify that the W126 option computes the W126 daily index value as a weighted average of ozone concentrations between 8am & 7pm and that these daily index values are only an intermediate step in computing the W126 metric for secondary ozone standard analyses. These daily index values can then be used to calculate annual W126 values for the secondary ozone standard by using different tools to first compute 3-month sums of daily W126 index values and then determine the consecutive three month period with the largest 3-month sum of daily W126 values. There were also minor code corrections that fixed two issues that may have caused problems for certain compilers in debug mode but did not affect the results of the computations in the tests conducted. \n**Significance and Impact**: No impact on results for the cases tested. \n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#859](https://github.com/USEPA/CMAQ/commit/3fbf66df2a123de5d4cc4c75352c08016a1123d2) | [PR#859](https://github.com/USEPA/CMAQ_Dev/pull/859) | \n\n## [sitecmp](../../POST/sitecmp/README.md)\n No changes were made to this tool in CMAQv5.5.\n\n## [sitecmp_dailyo3](../../POST/sitecmp_dailyo3/README.md)\n### Increase of station ID character limit \n[Christian Hogrefe](mailto:hogrefe.christian@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: expand code functionality \n**Release Version/Date**: CMAQv5.5 \n**Description**: The previous version of sitecmp_dailyo3 code imposed a maximum station ID character limit of 9. While sufficient for all observational networks previously processed through sitecmp_dailyo3, this constraint caused problems when processing emerging networks with hourly data which had station IDs exceeding that limit. The increase of the maximum station ID length to 20 remedies this problem and makes the limit consistent with the one being used in sitecmp. \n**Significance and Impact**:\nThere is no impact on results for stations with IDs not exceeding 9 characters. When the previous code encountered a station ID with more than 9 characters, each such site was processed and written out 24 times per day (rather than just once), and the observed daily metrics were missing for each of these 24 output records per day. The modeled daily metrics were correct and repeated for each of the 24 output records written for each day. Due to this 24-fold repetition of matched records for each day in such cases, the output files created with the previous code were substantially larger than they should have been, and they also contained no valid observed metrics at such stations. The updated code corrects this behavior. \n \n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#987](https://github.com/USEPA/CMAQ/commit/8d67a79d9cfd45bf421fcc864f3c0c70960df17b) | [PR#987](https://github.com/USEPA/CMAQ_Dev/pull/987) | \n\n## Removal of appendwrf, bldoverlay and blockextract \n**Type of update**: Model Clean-up \n**Release Version/Date**: CMAQv5.4 \n**Description**: \nThe POST tools appendwrf, bldoverlay, and blockextract are no longer maintained and have been removed from the CMAQ code repository beginning with version 5.4. These tools can still be accessed through previous CMAQ versions.\n" }, { "path": "DOCS/Release_Notes/CMAQ-Release-Notes:-Preprocessors.md", "content": "# Pre-processors\n\n## [MCIP](https://github.com/USEPA/CMAQ/tree/main/PREP/mcip)\n\n### Updates to Calculation of XORIG/YORIG for Some Lambert Domains (MCIP, Two-Way WRF-CMAQ, and Combine)\n[Tanya Spero](mailto:spero.tanya@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Bug Fix \n**Release Version/Date**: CMAQv5.5\n\n**Description**: The calculations of XORIG and YORIG in MCIP, _aqprep_ (in the two-way WRF-CMAQ), and _combine_ had constraints that were introduced to facilitate matching the MM5 and WRF domains in Lambert conformal projection for initial testing. Those constraints were only used when Lambert conformal projection was used **and** the user specified a reference latitude via the MCIP namelist. The algorithm that was used to align the XORIG and YORIG adjusted for real-number disagreements in converting the gridding parameters between WRF and CMAQ by using an algorithm that constrained the XORIG and YORIG to increments of 500 meters. However, that algorithm did not work as intended when the horizontal grid spacing was not in increments of 1 km. In this update, the algorithm in MCIP and _aqprep_ was modified to constrain XORIG and YORIG to increments of 5 meters.\n\nThe original algorithm was removed from _combine_, and it was replaced with logic that allows for concurrent processing of WRF and CMAQ output. The expected use case in _combine_ for WRF and CMAQ is to process meteorological output from WRF only when MCIP is not available, i.e., from the two-way WRF-CMAQ runs. Thus, the updates in _combine_ restrict the concurrent processing WRF and CMAQ to cases when those models have concentric domains with a symmetric perimeter removed from WRF to form the CMAQ domain. In addition, _combine_ now requires domains with a horizontal grid spacing >400 meters because we have not tested the rigor of the algorithm below that scale.\n\n**Significance and Impact**: Changes to XORIG and YORIG from this algorithm _only_ occur for domains that use Lambert conformal projection **and** a user-specified reference latitude. The algorithm in MCIP and _aqprep_ that previously had been used to set XORIG and YORIG at factors of 500 meters is not appropriate when the horizontal grid spacing is not evenly divisible by 1 km (e.g., 4.25 km, 1.33 km, 0.444 km). The constraint is now set to 5 meters in those codes. That constraint and logic was not appropriate for _combine_, so a new constraint was introduced to only allow WRF and CMAQ data to be processed together when the domains are concentric, such as from the two-way WRF-CMAQ model. There is no impact from these coding changes for many domains, but XORIG and YORIG could be adjusted for domains with very small horizontal grid spacings (e.g., 1.33 km and 0.444 km). In some cases in those fine-scale domains, the changes to XORIG and YORIG could shift coastlines and some observations and point-source emissions to a neighboring grid cell. If there are changes to XORIG and YORIG from using this algorithm for a given domain, then those changes would be reflected in the GRIDDESC and in the I/O API headers of files generated by the CMAQ system. Changes to XORIG and YORIG could introduce inconsistencies in the headers of files processed with different releases of CMAQ, so there could be some challenges in mixing and matching those files for simulations and analysis.\n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#1090](https://github.com/USEPA/CMAQ/commit/c426d91df2f905110a0c6a131217c49482869bf3) | [PR#1090](https://github.com/USEPA/CMAQ_Dev/pull/1090) | \n\n\n### Removed Superfluous Open/Close Couplet to Read WRF Files in MCIP\n[Tanya Spero](mailto:spero.tanya@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Efficiency \n**Release Version/Date**: CMAQv5.5\n\n**Description**: Updated rdwrfem.f90 in MCIP to remove redundant open/close of netCDF files.\n\n**Significance and Impact**: This change improves efficiency and does not change the simulation results. The change reduces runtime of MCIP by ~25-30% per day for hourly WRF output in daily files on the benchmark domain. Reductions in runtime become negligible for large computational domains.\n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#1097](https://github.com/USEPA/CMAQ/commit/7319ff625dd70a88eb43124a3989574fc0f8551f) | [PR#1097](https://github.com/USEPA/CMAQ_Dev/pull/1097) | \n\n### Updated MCIP Metadata for WRF Physics Beyond WRFv4.1\n[Tanya Spero](mailto:spero.tanya@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Metadata Update \n**Release Version/Date**: CMAQv5.5 \n\n**Description**: The global header information (i.e., metadata) in the MCIP output files lists the high-level WRF physics options that were used in the WRF simulation processed by MCIP. The text interpretation of the WRF token values (collected from the WRF metadata in its output header) is based on a translation in MCIP that is performed in the subroutine wrfemopts.f90. That subroutine had not been updated since WRFv4.1 was released, and additional WRF physics options have been implemented between then and the release of WRFv4.5.2. This change to MCIP provides updates to the cross-reference listing to improve accuracy of metadata for newer WRF physics options.\n\n**Significance and Impact**: This change to MCIP does not affect the numerical calculations. However, it improves the accuracy of the metadata in the MCIP header when newer WRF physics options (implemented after WRFv4.1) are exercised and subsequently processed through MCIP.\n\n**References**: [WRF Users Guide for WRFv4.5](https://www2.mmm.ucar.edu/wrf/users/wrf_users_guide/build/html/physics.html)\n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#1098](https://github.com/USEPA/CMAQ/commit/a93487cc482cebfa9d43bb2b82bec8f45a63942c) | [PR#1098](https://github.com/USEPA/CMAQ_Dev/pull/1098) | \n\n### Additional MCIP release notes can be found under the [DOCS/MCIP](https://github.com/USEPA/CMAQ/tree/main/PREP/mcip/docs) folder. \n\n## [ICON](https://github.com/USEPA/CMAQ/tree/main/PREP/icon)\n No changes were made to ICON in CMAQv5.5.\n\n## [BCON](https://github.com/USEPA/CMAQ/tree/main/PREP/bcon)\n\n### Improved IC/BC species mappings for CRACMM \n[Havala Pye](mailto:pye.havala@epa.gov) and [Christian Hogrefe](mailto:hogrefe.christian@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Bug fix \n**Release Version/Date**: CMAQv5.5 \n\n**Description**: The species definition file mapping carbon bond-based mechanism species to CRACMM species located at PREP/bcon/map2mech/SpecDef_*.txt was updated to improve consistency across mechanisms and reduce unnecessary mapping. Mapping of tracers/species that do not contribute meaningfully to mass (TOLRO2, XYLRO2, AH3OP, IEPOXP) were removed. Mapping across monoterpene and isoprene systems was updated. These updates were implemented for CRACMM1 and were carried forward to CRACMM2 as part of CRACMM2 development. \n\nAdditionally, the mapping of carbon bond species SVSQT was updated for both CRACMM1 and CRACMM2. Previously, SVSQT was mapped to a species name that was not a valid CRACMM species. This resulted in a loss of mass for SVSQT (which is expected to have small concentrations at the model boundaries). This species mapping has been updated in CMAQv5.5 to correctly map SVSQT for both CRACMM1 and CRACMM2. This is the only change in species mappings in CRACMM1 between CMAQv5.4 and CMAQv5.5. Additional mapping updates for CRACMM2 support the renaming of aromatic species XYL (xylenes and other aromatic species) and EBZ (ethylbenzene), the addition of species STY (styrene), and the addition of methane emissions tracer species ECH4. \n\n**Significance and Impact**: Improves consistency in how species map across mechanisms. Minor changes to model predictions are expected. This file is not recommended for mapping emissions between mechanisms as the representation of fresh emissions is more variable between mechanisms than the representation of processed emissions. Updates to CRACMM2 species mappings support species that are new or that have been modified in CRACMM2.\n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#958](https://github.com/USEPA/CMAQ/commit/97f04d8143da5f70d20a76384494657411c77416) | [PR#958](https://github.com/USEPA/CMAQ_Dev/pull/958) |\n|[Merge for PR#1095](https://github.com/USEPA/CMAQ/commit/5c9f5441b24efd94ad6be5ad939c5f6fc8af2980) | [PR#1095](https://github.com/USEPA/CMAQ_Dev/pull/1095) |\n|[Merge for PR#1133](https://github.com/USEPA/CMAQ/commit/ee260009f408e528f187260edb6bcd51ad58f75d) | [PR#1133](https://github.com/USEPA/CMAQ_Dev/pull/1133) |\n\n\n## [Create OMI](https://github.com/USEPA/CMAQ/tree/main/PREP/create_omi) \n[William T. Hutzell](mailto:hutzell.bill@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Bug fix and Scripts Update \n**Release Version/Date**: CMAQv5.4 \n\n**Description**: A bug fix and script enhancement was made. The bug fix corrects format statements used to write the ASCII output file. The error and its fix were identified in a [CMAS Forum post](https://forum.cmascenter.org/t/some-questions-about-using-different-resolution-omi-file-in-cmaq5-3-2/2569/4). When the latitude and longitude resolution is greater than 360X360 degrees, the format descriptors are too small and cause the output lines to wrap around themselves. The error causes the total ozone column to be incorrectly calculated in CCTM and produce bad values of photolysis frequencies from the inline build option. The bad values do not exist in the repositories version of the OMI data file under CCTM/src/phot/inline.\n The script enhancement revises create_omi's build and run scripts so they function as similar scripts for ICON and BCON tools. \n\n**Significance and Impact**: If the simulation uses an OMI data file created with lat/long resolution greater than 360X360 degrees, CCTM will calculate and use bad values of photolysis frequencies.\n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#779](https://github.com/USEPA/CMAQ/commit/095ea1e8e40e320786045701a8d0d1cd5b0b4b41) | [PR#779](https://github.com/USEPA/CMAQ_Dev/pull/779) |\n\n" }, { "path": "DOCS/Release_Notes/CMAQ-Release-Notes:-Process-Analysis-&-Sulfur-Tracking-Model-(STM).md", "content": "# Process Analysis and Sulfur Tracking Model (STM)\n\n## Fix to option for Sulfur Tracking Model\n[William T. Hutzell](mailto:Hutzell.Bill@epa.gov), U.S. Environmental Protection Agency \n**Type of Update**: Bug Fix \n**Release Version**: CMAQv5.5 \n\n**Description**: The Sulfur Tracking Model (STM) does not accurately attribute concentrations of ASO4J from gas chemistry. Code changes were made to remove the problem by implementing the below fixes.\n\n1. CGRID_SPCS.F and AERO_DATA.F are updated for new chemical mechanisms that have Organosulfate reactions in CGRID_SPCS.F and AERO_DATA.F, i.e., the cb6r5_ae7 and cracmm1 based mechanisms. Note that the current files already account for the cb6r5m_ae7 mechanism. \n\n2. In sciproc.F, PA_UPDATE_AERO and STM_WRAP_AE calls are reversed. The incorrect calling order causes errors in ASO4JGAS_ because it depends on aero_cond and aero_npf, and they will have wrong units from a COUPLE_PA call in PA_UPDATE_AERO. \n\n**Significance and Impact**: The code fix allows to accurately predict the inorganic and organic components of aerosol sulfate with CMAQv54. \n \n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#968](https://github.com/USEPA/CMAQ/commit/19592006add22a559e275e98e71193f697d7b064) | [PR#968](https://github.com/USEPA/CMAQ_Dev/pull/968) |\n\n## Use Budget Filename set in Runscript\n[Ben Murphy](mailto:murphy.ben@epa.gov), U.S. Environmental Protection Agency \n**Type of Update**: Minor Feature Improvement \n**Release Version**: CMAQv5.5 \n \n**Description**: The budget file initialization algorithm creates the output filename manually using the simulation scenario character string and the output directory defined in the runscript. However, the standard runscript already defines the budget output filename in CTM_BUDGET and this variable isn't being used. This update improves the algorithm in the source code to first check for this variable and if it is not present, then build the filename manually as it currently does. \n\n**Significance and Impact**: Code change only impacts filenames and prevents error crashing. No impact on data values. \n \n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#967](https://github.com/USEPA/CMAQ/commit/b3968964c6f8adfbb5fda9f3677b3ee1586b53e2) | [PR#967](https://github.com/USEPA/CMAQ_Dev/pull/967) |\n\n## Introduction of Budget Reporting Tool\n[Ben Murphy](mailto:murphy.ben@epa.gov), U.S. Environmental Protection Agency \n**Type of Update**: New Feature \n**Release Version**: CMAQv5.4 \n\n**Description**: \nThe existing Process Analysis module outputs process rates for variables or families of variables on a gridded domain. The Budget Reporting Tool added here outputs as a text file (CCTM_BUDGET_xxx.txt), the domain-wide process rates and total abundance change for every variable or family requested by the user in the CMAQ_Control_Misc.nml file.\n\nThe output produced by the Budget Tool is quite powerful when applying or developing CMAQ. It can be used to better understand the large-scale source and loss pathways of individual trace species or families of species. For example, the fraction of a species that is transported out of the domain versus lost by dry or wet deposition is immediately accessible as a function of output time step. Additionally, one can use this output to diagnose potential errors if, for example, the Budget Tool reports emissions or chemical production of a species and the developer knows it should not be possible.\n\nOutput is produced for every output time step (generally hourly). Units for both gases and particles are in kilograms per output time step.\n \n**Significance and Impact**: No impact on results for the cases tested. \n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#810](https://github.com/USEPA/CMAQ/commit/37c09c0a6617b1595f769c9d12f8911da2a12098) | [PR#810](https://github.com/USEPA/CMAQ_Dev/pull/810) |\n|[Merge for PR#634](https://github.com/USEPA/CMAQ/commit/e040ca874d6cd468a31363dca92edc3500cab46b) | [PR#634](https://github.com/USEPA/CMAQ_Dev/pull/634) |\n|[Merge for PR#669](https://github.com/USEPA/CMAQ/commit/22b870e33495c9e9f45b4a794f586bdb61d47333) | [PR#669](https://github.com/USEPA/CMAQ_Dev/pull/669) |\n \n\n## Resolve omission of organic condensable vapors from aerosol process analysis\n[Ben Murphy](mailto:murphy.ben@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Bug Fix \n**Release Version**: CMAQv5.4 \n\n**Description**: \nThe flux of every condensable inorganic and organic vapor should be aggregated and saved in the process analysis arrays for aerosol condensation (i.e. COND). This procedure was overlooked for the organic species, although it was implemented for the inorganics.\n \n**Significance and Impact**: This is particularly important for ISAM and the Budget Tool which will use these net changes in aerosol processing to perform source apportionment and some domain-wide totals.\n \n \n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#810](https://github.com/USEPA/CMAQ/commit/37c09c0a6617b1595f769c9d12f8911da2a12098) | [PR#810](https://github.com/USEPA/CMAQ_Dev/pull/810) |\n|[Merge for PR#634](https://github.com/USEPA/CMAQ/commit/e040ca874d6cd468a31363dca92edc3500cab46b) | [PR#634](https://github.com/USEPA/CMAQ_Dev/pull/634) |\n|[Merge for PR#669](https://github.com/USEPA/CMAQ/commit/22b870e33495c9e9f45b4a794f586bdb61d47333) | [PR#669](https://github.com/USEPA/CMAQ_Dev/pull/669) | " }, { "path": "DOCS/Release_Notes/CMAQ-Release-Notes:-Stratospheric‐Tropospheric-Exchange-(STE).md", "content": "# Stratospheric-Tropospheric Exchange\n\n## Potential Vorticity Scaling of Ozone (PVO3) a Runtime Option\n\n[William T. Hutzell](mailto:hutzell.bill@epa.gov), U.S. Environmental Protection Agency \n\n**Type of update**: Infrastructure Update \n\n**Release Version/Date**: CMAQv5.5 \n\n**Description**: The update changes the build option for scaling ozone with potential vorticity in the upper troposphere to represent Stratosphere-Troposphere exchange (STE) to a runtime option. The change seeks to simplify building and running CCTM with the same chemical mechanism over different domains where using the process depends on the meteorological inputs or domain's size and location. Also, changes may ease reading model code by reducing the number of embedded CPP directives.\n \n**Significance and Impact**: Update makes easier application of the same CCTM executable over different model cases where ozone scaling by potential vorticity is not always wanted. \n \n**References**: N/A \n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#1089](https://github.com/USEPA/CMAQ/commit/9d715843c1b2eba3d3662824b635d6b7b529917f) | [PR#1089](https://github.com/USEPA/CMAQ_Dev/pull/1089) | \n\n## Removed dependency on coordinate system in PV-O3\n\n[Rohit Mathur](mailto:mathur.rohit@epa.gov), U.S. Environmental Protection Agency \n\n**Type of update**: Improve consistency\n\n**Release Version/Date**: October 6, 2023 / CMAQv5.5 \n\n**Description**: The specification of the upper layers in which O3 mixing ratios are scaled based on space and time varying potential vorticity fields (PV) is based on a prescribed pressure level: currently less than 110hPa. The determination of these model levels in the current code however (i) has a dependence on the sigma-P coordinate; (2) assumes a constant surface pressure (1000 hPa); and (3) uses VGLVLS from the METCRO3D file header. These calculations are inconsistent with the hybrid coordinate system now adopted in both WRF and CMAQ simulations and can result in the application of the PV-scaling to model (pressure) levels not intended and/or inconsistent with the parameterization detailed in Xing et al. (2016). This update removes the dependence on the sigma-P coordinate and instead uses the pressure field from the METCRO3D file to check against the 110hPa threshold. \n \n**Significance and Impact**: The changes make the model consistent with the O3-PV parameterization detailed in Xing et al. (2016). For the current 44-layer configuration (Mathur et al., 2017), the existing approximations (VGLVLS and constant surface pressure) resulted in O3 being scaled by PV fields always in layers 41-44. For the hybrid coordinate and the 44-layer configuration, the mid-level pressure of layers 42 and above are less than the 110hPa threshold so the scaling is now applied to layers 42-44. Thus, there is no impact on O3 in the top three model layers, but O3 mixing ratios change between 300-100hPa. The difference in O3 mixing ratios within the boundary layer and at the surface are negligible and not impacted by this change for the current 44-layer configuration. The impact of model changes on comparisons with ozonesonde measurements at 4 sites across North America (Hilo, Trinidad Head, Boulder, and Huntsville) are illustrated in the figures below which compare mean vertical profiles at each site for all launches during Spring (March-April-May) and Summer (June-July-August) and further illustrate that the larger differences are confined to 300-100hPa and in general the updates help improve the model estimates relative to observations at these levels. \n\n![Mathur_SpringMAM_SummerJJA](https://github.com/user-attachments/assets/94b95e27-17ad-4b93-b929-cbc66687f963)\n \n**References**: \nXing, J., Mathur, R., Pleim, J., Hogrefe, C., Wang, J., Gan, C.-M., Sarwar, G., Wong, D. C., and McKeen, S.: Representing the effects of stratosphere–troposphere exchange on 3-D O3 distributions in chemistry transport models using a potential vorticity-based parameterization, Atmos. Chem. Phys., 16, 10865–10877, https://doi.org/10.5194/acp-16-10865-2016, 2016 \n\nMathur, R., Xing, J., Gilliam, R., Sarwar, G., Hogrefe, C., Pleim, J., Pouliot, G., Roselle, S., Spero, T. L., Wong, D. C., and Young, J. (2017). Extending the Community Multiscale Air Quality (CMAQ) modeling system to hemispheric scales: overview of process considerations and initial applications, Atmos. Chem. Phys., 17, 12449–12474, https://doi.org/10.5194/acp-17-12449-2017.\n\n\n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#980](https://github.com/USEPA/CMAQ/commit/f3b87b84768a249c10b472ee76d9a4e525db90c3) | [PR#980](https://github.com/USEPA/CMAQ_Dev/pull/980) | \n\n\n\n" }, { "path": "DOCS/Release_Notes/CMAQ-Release-Notes:-Structural-Improvements.md", "content": "# Structural Improvements\n\n### GNU build flag update to enable compilation with GNU versions 10+\n[Fahim Sidi](mailto:sidi.fahim@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Bug Fix \n**Release Version/Date**: v5.5 \n\n**Description**: Starting GNU version 10+, GNU no longer allows rank mismatches between the callee and the calling function. The exact verbiage from the GNU change logs:\"Mismatches between actual and dummy argument lists in a single file are now rejected with an error. Use the new option -fallow-argument-mismatch to turn these errors into warnings; this option is implied with -std=legacy. -Wargument-mismatch has been removed.” (https://gcc.gnu.org/gcc-10/changes.html)\n\n“GCC 10 now rejects argument mismatches occurring in the same source file. Those are not permitted by the Fortran standard and in general have the potential to generate invalid code. However, the Fortran standard does permit passing an array element or a scalar string (of default character kind or of c_char kind) as actual argument to an array dummy argument. (For the exact wording, see the Fortran standard on argument association; in particular, Fortran 2018, Sect. 15.5.2.4, Para. 4.)\n\nDepending on their nature, argument mismatches have the potential to cause the generation of invalid code and, hence, should be investigated. The most common reason that code fails due to newly enforced check is the following: instead of using an array element as actual argument, a scalar is used; one solution is to replace the scalar by a size-one array. (This should be passed as a whole as there is no point in passing it as array element.) Additionally, check that the code indeed only accesses this single element. — Other mismatches occur more rarely but usually indicate more serious bugs where a wrong result is likely (at least for some target-platform and optimization combination).”\n\nThe non-FORTRAN explanation boils down to the ability to pass 1-D arrays, 2-D arrays, 3-D arrays, etc., into a subroutine or function and have the called routine set up so that that it \"does the right thing\". This is in fact a common occurrence, where the callee \"single-indexes\" multi-dimensional arrays.\n\n**References**: n/a\n|Merge Commit | Internal record|\n|:------:|:-------:|\n| [Merge for PR#1154](https://github.com/USEPA/CMAQ_Dev/commit/c31983b72a3049d708138da3f57227875333eb39) | [PR#1154](https://github.com/USEPA/CMAQ_Dev/pull/1154) |\n\n### Emissions Diagnostics and Log Output\n[Ben Murphy](mailto:murphy.ben@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Diagnostic and Log Updates \n**Release Version**: v5.5 \n \n**Description**: \nSeveral issues with emissions diagnostics were identified by internal developers and external users. These have been resolved. Issues include:\n\n- Process analysis errors when PA_BLEV > 1 and emissions are restricted to layer 1 only. This issue was first identified on the CMAS User Forum: https://forum.cmascenter.org/t/really-large-ipr-emis-results-for-upper-layers/\n- Inconsistent time vector for B3GTS. On the CONUS domain, it was observed to equal 25 or 26 hours on random days. It should be 24 hours.\n- Timing on lightning diagnostic files starting at 00000 instead of 10000.\n- Formatting of DESID scale factors in log file has always been F6.3. Users have complained for some time. This is updated to ES9.2.\n- The EMVAR molecular weight table defined in desid_vars.F is now assigned with individual operational lines instead of one continuous parameter statement in the module specification section. This update will avoid Fortran continuation line limit issues in the future if the number of emission species continues to expand.\n- Adding space for environment variables like the symbolic date labels to be printed completely in the log files\n\n**Significance and Impact**: These updates improve consistency among diagnostic output files and improve readability of the log files. \n \n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#1077](https://github.com/USEPA/CMAQ/commit/1eef012a93faf0f7f9b523fede916fb5cd890fef) | [PR#1077](https://github.com/USEPA/CMAQ_Dev/pull/1077) | \n\n## Add precision to timing metrics in logfiles\n[Ben Murphy](mailto:murphy.ben@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Improvement (Minor log formatting change) \n**Release Version/Date**: v5.5 \n\n**Description**: This PR adds three decimal places of precision to the process-level timing metrics in the ascii logfile.\n\n**Significance and Impact**: At high computational efficiency, the default precision provided for the timing metrics in the logfile was yielding 0.0 for some processes. When aggregated, this underestimates the time taken by these processes. \n \n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#961](https://github.com/USEPA/CMAQ/commit/cf37d49e144b3aed1380c6a74f404063f5e047bf) | [PR#961](https://github.com/USEPA/CMAQ_Dev/pull/961) | \n\n## Improvement of Logfile output and error reporting\n[Ben Murphy](mailto:murphy.ben@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Bug Fix and Log File Improvements \n**Release Version**: CMAQv5.4 \n\n**Description**: \n- Propagated SHA ID from git repository to configuration file and execution ID to support versioning and matching code state to results.\n- Propagated (mostly documentation) improvements to v5.4 branch from existing v5.3 release branch. \n- Added M3EXIT output to Main logfile to improve discoverability.\n \n**Significance and Impact**: No impact on results for the cases tested. \n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#639](https://github.com/USEPA/CMAQ/commit/3dc2bb6e3d3041bbbf0729643cc38bb2c52b2e11) | [PR#639](https://github.com/USEPA/CMAQ_Dev/pull/639) | \n|[Merge for PR#637](https://github.com/USEPA/CMAQ/commit/6bf6a3c367cb5fae088396c879e1c9609766a5dd) | [PR#637](https://github.com/USEPA/CMAQ_Dev/pull/637) | \n|[Merge for PR#769](https://github.com/USEPA/CMAQ/commit/c5bce3ef77dc54b29bf66046d07f766afc2d9f61) | [PR#769](https://github.com/USEPA/CMAQ_Dev/pull/769) | \n" }, { "path": "DOCS/Release_Notes/CMAQ-Release-Notes:-Transport-Processes.md", "content": "# Transport Processes\n\n## Restore Vertical Diffusion and Gravitational Settling Diagnostic Files\n[Chris Nolte](mailto:nolte.chris@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Bug Fix \n**Release Version/Date**: CMAQv5.5 \n**Description**: The environment variable `VDIFF_DIAG_FILE` is supposed to control whether the CCTM outputs the vertical diffusion diagnostic file `CTM_VDIFF_DIAG`, and if gravitational settling is being used, additionally the `CTM_VSED_DIAG` file. However, there was a bug that prevented these diagnostic files from being written even if the user requested these outputs in the run script. \n**Significance and Impact**: No change to model calculation. Allows for outputting vertical diffusion and gravitational settling diagnostic files. \n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#1016](https://github.com/USEPA/CMAQ/commit/eddb4a71ce8e46b509d973462696c9fd8cea7ede) | [PR#1016](https://github.com/USEPA/CMAQ_Dev/pull/1016) |" }, { "path": "DOCS/Release_Notes/CMAQ-Release-Notes:-Utilities.md", "content": "# Utilities\n\n## Update Chemistry Utilities for More Recent Versions of pgi Compilers\n\n[William T. Hutzell](mailto:hutzell.bill@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Bug Fix, New Feature \n**Release Version/Date**: CMAQ Version 5.5 \n\n**Description**: Two sets of changes were made to the chemistry utilities. One set of changes changes makefile pgi compiler and link flags for _chemmech_, _inline_phot_preproc_, and _create_ebi_ so building executables do not fail when using version of pgi greater than 17.4 (_nvhpc compilers_). For the second set of changes, the _chemmech_ utility will stop and writes error messages to the screen or re-directed file when the mechanism definitions file has duplicated reaction labels. To prevent the error for the cracmm-based mechanisms, their second occurrence of R132 has been changed to R133. \n\nThe pull request also changes chemmech's build script so the makefile copied to the build directory uses the requested compiler by default. The change supports rebuilding chemmech with the requested compiler without re-using the build script. \n\n**Significance and Impact**: Code change do not change model predictions but accomplish two goals. First, they allow building a mechanism (i.e., create its _RXNS\\_DATA\\_MODULE.F90_, _RXNS\\_FUNC\\_MODULE.F90_, _CSQY\\_DATA_ and _ebi solver_ files) with nvfortran or recent version of pgf90 so a developer can perform the task using the two compilers. Second, chemmech give error messages to a developer when a mechanism definitions file uses reaction label more than one time. The problem impedes using IRR analysis because IRR control files reference reactions by their label and because a mechanism definition files can set reaction rate constants by referencing labels for other reactions. \n \n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#1069](https://github.com/USEPA/CMAQ/commit/f27f30b92f85337e573d50f1516c24a5344fbc5a) | [PR#1069](https://github.com/USEPA/CMAQ_Dev/pull/1069) | \n\n\n## Remove Typographic Errors in CHEMMECH Output Files\n\n[William T. Hutzell](mailto:hutzell.bill@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Documentation \n**Release Version/Date**: CMAQ Version 5.5 \n**Description**: Updates remove typographic errors in CHEMMECH output files documenting a chemical mechanism such as the markdown files found under the repository's _**CCTM/src/MECHS/mechanism_information**_ directory. \n**Significance and Impact**: Updates have no effect on CCTM predictions but supporting documenting a photochemical mechanism's reactions.\n \n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#964](https://github.com/USEPA/CMAQ/commit/1e8fa83fea7b6b4d0b476d755779e072c0ee6d5f) | [PR#964](https://github.com/USEPA/CMAQ_Dev/pull/964) | \n\n## Remove Conflicting Filenames on Window and Macintosh Operating Systems\n\n[William T. Hutzell](mailto:hutzell.bill@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Bug Fix \n**Release Version/Date**: CMAQ Version 5.4 \n**Description**: Both the create_ebi and inline_phot_prerproc have files in their source code directories that only differ in letter case in filenames such as _**UTIL/create_ebi/junit.F**_ and _**UTIL/create_ebi/junit.f**_. The property does not cause problems on Linux systems but can cause problems on Window and Macintosh systems. The problem is easily removed because only one file is needed or neither file is needed to build these chemistry utilities. The pull request removes the unneeded files causing the problems as well as removing two unneeded files under _**UTIL/inline_phot_preproc/src**_. \n**Significance and Impact**: None, but allows to more efficiently use the CMAQ repository on Windows and Macintosh operating systems. \n \n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#899](https://github.com/USEPA/CMAQ/commit/fb1683a0497db9343fbc8158c5acdea888442124) | [PR#899](https://github.com/USEPA/CMAQ_Dev/pull/899) | \n\n## Autochem\n[Ben Murphy](mailto:murphy.ben@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: New Feature \n**Release Version/Date**: CMAQ Version 5.4 \n**Description**:\nIntroduction of the Autochem utility script that processes new chemical mechanism files, including EBI files if necessary, for user-defined mechanisms when mech.def and chemical namelist files are provided. The script executes utilities that are already present in the CMAQ repo including chemmech and create_ebi. It also copies and transfers files among directories that are used for driving the utilities. \n\nThe purpose of Autochem is to reduce the burden of introducing new chemical mechanisms to CMAQ. The script can be executed as part of the bldit_cctm.csh script. Just uncomment the line containing: \nset build_mech \nBy default, the script will copy any new mechanism files produced back into the CMAQ repo so they can be used in the future. If there are existing mechanism files there that you would like to overwrite, uncomment \nset clobber_mech \n\n**Significance and Impact**: None, but allows to more efficiently use the CMAQ repository.\n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#643](https://github.com/USEPA/CMAQ/commit/3e2a8fd5ede4751addcb638f3dabcbe564854ed5) | [PR#643](https://github.com/USEPA/CMAQ_Dev/pull/643) | \n|[Merge for PR#770](https://github.com/USEPA/CMAQ/commit/2ab818e06e3d929d5f59b1d36112bd251aed932f) | [PR#770](https://github.com/USEPA/CMAQ_Dev/pull/770) | \n \n\n## New Output Files and Runtime Options for CHEMMECH\n\n[William T. Hutzell](mailto:hutzell.bill@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Code and Documentation Enhancements \n**Release Version/Date**: CMAQ Version 5.4 \n**Description**: The CHEMMECH utility was updated to accomplish the below items.\n\n1. Add an option that revises the mechanism definition based on how reactions change the total number of elements between reactants and products. The elements consider is a subset of all chemical elements. If a reaction does not balance the initial and final number of elements, the revised file appends the reaction with the variables and coefficients measuring the unbalance. For each unbalance element, the added variable is called DELTA_element. DELTA_element's are not active chemistry species so CHEMMECH does not output information to solve how the DELTA_element's evolve over time. Both these output files are written to the output directory. \n\n2. Produce four matlab scripts to support the F0AM modeling that are produced by the chemmech utility. \n\n3. Revise the chemmech README page to include the new option as well the output files supporting F0AM box-model. A previous pull request added the F0AM outputs. After this numbered list, an relevant excerpt is given.\n\n4. Fix a bug in chemmech that add stoichiometric coefficients for product when the products are atmospheric constants such as the reaction. The coefficient for M should not be added because M is not counted as product.\n\n O + O2 + M = O3 + M # 6.00E-34^-2.6;\n\n5. Revise the chemmech source code to reduce the number of complex INTERFACE blocks. The change uses FORTRAN modules to accomplish the task. The module files combine several code files into a one file.\n\nConsult UTIL/chemmech/README.md for more Items 1 and 2.\n\n**Significance and Impact**: (1) Allows users to run the F0AM box-model when creating a CMAQ mechanism via the chemmech utility. (2) Adds to chemmech a run-time option revising the input mechanism definitions file for how each reaction changes the balance of elements such as carbon, nitrogen, and sulfur. \n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#845](https://github.com/USEPA/CMAQ/commit/773eff8f8f6c432494b116648a4b95188b77db6a) | [PR#845](https://github.com/USEPA/CMAQ_Dev/pull/845) | \n|[Merge for PR#913](https://github.com/USEPA/CMAQ/commit/f0673e722b5372ee38254f39130b5d59c50b14b8) | [PR#913](https://github.com/USEPA/CMAQ_Dev/pull/913) | \n" }, { "path": "DOCS/Release_Notes/CMAQ-Release-Notes:-WRF-CMAQ-Coupled-Model.md", "content": "# WRF-CMAQ Coupled Model\n\n## Compatibility issues with WRF versions 4.5.2 and later\n[David Wong](mailto:wong.david-C@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Bug Fix \n**Release Version/Date**: CMAQv5.5 \n**Description**: An update in WRFv4.5.2 (issued in [PR 1953](https://github.com/wrf-model/WRF/pull/1953) to the wrf-model GitHub repository) causes a run time error when using the WRF-CMAQ coupled model with WRF versions 4.5.2 and later.\n\nA workaround for this incompatibility issue is to revert this WRF update when using the WRF-CMAQ system. To do this first download or clone the code for WRFv4.5.1. Next copy the following two files from the WRFv4.5.1 code base to your folder containing the more recent version WRF (e.g., 4.6.1). For example, if your WRF code for the two versions are saved in folders 'WRFv451' and 'WRFv4.*', execute the following commands: \n \n```\ncp WRFv451/share/wrf_tsin.F WRFv4.*/share/wrf_tsin.F\ncp WRFv451/frame/module_domain_type.F WRFv4.*/frame/module_domain_type.F\n```\nwhere * can be 4.5.2, 4.5.3, 4.6, and 4.6.1.\n\n**Significance and Impact:** \nThis solution will avoid the run time error in WRF-CMAQ, however it also means you will not be working with the latest WRF updates to these two files. \n\n**Additional Notes:**\nEPA's testing of WRFv4.5.1-CMAQv5.5 has included chemical mechanisms CB6r5 and CRACMMv1 with the M3DRY dry deposition scheme. Other model options can be used with the WRF-CMAQ model but will have limited user support for issues that are encountered. \n \n## Remove gcc bug for CORE_SHELL_OPTICS option\n[William T. Hutzell](mailto:hutzell.bill@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Bug Fix \n**Release Version/Date**: CMAQv5.5 \n**Description**: When the runtime option CORE_SHELL_OPTICS is set to True and CCTM is compiled with the gcc 6.1 compiler, the model crashes. The cause is a write to the mystr character variable in the BHCOAT subroutine because the value has an insufficient length. \n\n**Significance and Impact:** The change allows running CCTM with gcc 6.1 compiler where CORE_SHELL_OPTICS is set to True. Using the intel 18.0, tests showed the change does not alter model predictions over the 2018 12NE3 and 2015 HEMI domains. \n \n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#1021](https://github.com/USEPA/CMAQ/commit/ef4565bc785ccd5367311e429a49b7b3ccd54ded) | [PR#1021](https://github.com/USEPA/CMAQ_Dev/pull/1021) | \n \n\n## New WRF-CMAQ model using WRFv4.4 and CMAQv5.4\n[David Wong](mailto:wong.david-c@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: New Feature \n**Release Version/Date**: CMAQv5.4 \n**Description**: The new WRF-CMAQ model is based on WRFv4.4 and CMAQv5.4. It supports only RRTMG radiation scheme for short wave aerosol direct effect. It uses core-shell model to perform aerosol optics calculations rather than volume mixing technique as in the previous version of the WRF-CMAQ model.\n\nThe code used to couple the WRFv4.4-CMAQv5.4 models is now released as part of the CMAQ Github Repository.\n\nStarting from WRF V4.4 and CMAQ v5.4, users can construct the coupled model with any version of WRF (v4.4 or later) and any version of CMAQ (v5.4 or later) with the following steps:\n\n* download the desirable version of WRF\n* download the desirable version of CMAQ\n* build CMAQ by executing bldit_cctm.csh with build_twoway turns on\n* move the built CMAQ code, BLD* into WRF direction with the name cmaq\n* setenv WRF_CMAQ 1\n* setenv IOAPI the_path_IOAPI (for example: /home/wdx/lib/x86_64/gcc-9.1/ioapi_3.2)\n* setenv WRFIO_NCD_LARGE_FILE_SUPPORT 1\n* configure\n* compile em_real\n\nThe \"setenv WRF_CMAQ 1\" must be there when you compile or recompile code and the \"setenv IOAPI the_path_IOAPI\" must be there before typing configure.\n\nA complete step by step build process and run instructions are provided in the [WRF-CMAQ Tutorial](../Users_Guide/Tutorials/CMAQ_UG_tutorial_WRF-CMAQ_Benchmark.md).\n\n**Significance and Impact** This simplifies the WRF-CMAQ coupled model construction process and lets users have choices to build the coupled model with a desirable version of WRF and CMAQ.\n \n**Internal PRs**: N/A\n\n## WRF-CMAQ model Aerosol Feedback Bugfix\n[David Wong](mailto:wong.david-c@epa.gov@epa.gov), U.S. Environmental Protection Agency \n**Type of update**: Bug Fix \n**Release Version/Date**: CMAQv5.4 \n**Description**: A bug was identified within the CMAQ to WRF coupling routine (twoway_feedback.F90) where aerosol feedback information is transferred from CMAQ to WRF. In doing so, it was found that WRF was not receiving the correct aerosol feedback information due to a looping error relating to the number of layers set to 1 in some cases. \n\nSpecifically, The 3-way nested loop in the subroutine feedback_read (twoway_feedback.F90) assigns aerosol feedback information to the WRF grid structure. The outer loop runs from 1 to NLAYS3D which it is an IOAPI internal variable, and the value of NLAYS3D is establish at the end of calling IOAPI subroutine DESC3. Hence its value might differ from the value obtained in the FIRTIME block and subsequent time step. \n\nSimilarly the last block of code in the feedback_read subroutine suffers a similar problem, i.e. the top layer + 1 does not get updated properly.\n\n**Additional information on the bug and the code fix is posted on the [CMAS User Forum](https://forum.cmascenter.org/t/important-note-wrf-cmaq-coupled-model-bug/3617).**\n\n**Significance and Impact**: The bug impacts the WRF-CMAQ coupled system in the CMAQv5.3 release series (v5.3, v5.3.1, v5.3.2, v5.3.3) when running with short wave radiative feedback. The bug was not present in prior WRF-CMAQ versions. The bugfix in CMAQv5.4 now correctly captures the variations in the aerosol optical properties and consequently the direct feedback effects through all layers.\n\n|Merge Commit | Internal record|\n|:------:|:-------:|\n|[Merge for PR#951](https://github.com/USEPA/CMAQ_Dev/commit/50cf578877c377fb00c74619e60ae511ab14dd3e) | [PR#951](https://github.com/USEPA/CMAQ_Dev/pull/951) | \n" }, { "path": "DOCS/Release_Notes/README.md", "content": "# CMAQ Release Notes\n\nThe following links provide Release Notes for CMAQv5.4 onward. Links for Release Notes for previous CMAQ versions are available [here](https://www.epa.gov/cmaq/cmaq-documentation#release-notes).\n\n * [Instrumented Models](./CMAQ-Release-Notes:-Instrumented-Models.md)\n * [MPAS-CMAQ Coupled Model](./CMAQ-Release-Notes:-MPAS-CMAQ-Coupled-Model.md)\n * [WRF-CMAQ Coupled Model](./CMAQ-Release-Notes:-WRF-CMAQ-Coupled-Model.md)\n * [Chemistry](./CMAQ-Release-Notes:-Chemistry.md)\n * [Transport Processes](./CMAQ-Release-Notes:-Transport-Processes.md)\n * [Dry Deposition/Air-Surface Exchange](./CMAQ-Release-Notes:-Dry-Deposition-Air-Surface-Exchange.md)\n * [Emissions Updates](./CMAQ-Release-Notes:-Emissions-Updates.md)\n * [Process Analysis & Sulfur Tracking Model (STM)](./CMAQ-Release-Notes:-Process-Analysis-&-Sulfur-Tracking-Model-(STM).md)\n * [Structural Improvements](./CMAQ-Release-Notes:-Structural-Improvements.md)\n * [Diagnostic Options](./CMAQ-Release-Notes:-Diagnostic-Options.md)\n * [Pre-processors](./CMAQ-Release-Notes:-Preprocessors.md)\n * [PYTOOLS](./CMAQ-Release-Notes:-PYTOOLS.md)\n * [Post-processors](./CMAQ-Release-Notes:-Postprocessors.md)\n * [Utilities](./CMAQ-Release-Notes:-Utilities.md)\n * [Stratospheric-Tropospheric Exchange (STE)](./CMAQ-Release-Notes:-Stratospheric‐Tropospheric-Exchange-(STE).md)\n\nFor a high level summary and comparison to previous versions please see the [Release FAQ pages](../Release_FAQ/README.md).\n\n\n\n## CMAQv5.5 Bug Fixes\nUsers who wish to adopt the most recent bugfixes or minor updates to v5.5 should review the tagged versions of v5.5+: \n**[Record of changes to CMAQv5.5](../CMAQ-Bugfix-Branch.md)**\n" }, { "path": "DOCS/Users_Guide/Appendix/CMAQ_UG_appendixA_model_options.md", "content": "\n\n\n[<< Tables and Figures](../CMAQ_UG_tables_figures.md) - [Home](../README.md) - [Next Appendix >>](CMAQ_UG_appendixB_emissions_control.md)\n\n\n\n* * *\n\n# Appendix A: Model options\n\n\n\n\n## Table of Contents:\n\n* [A.1 Configuration Options (config_cmaq.csh)](#config_cmaq.csh)\n* [A.2 Compilation Options (bldit_cctm.csh)](#bldit_cctm.csh)\n* [A.3 Execution Options (run_cctm.csh)](#run_cctm.csh)\n\t* [MPI Configuration](#MPI_Config)\n\t* [Vertical Extent](#Vertical_Ext)\n\t* [Timestep Configuration](#Timestep_Config)\n\t* [CCTM Configuration Options](#CCTM_Config_Options)\n\t* [Synchronization Time Step and Tolerance Options](#Syn_time_Option)\n\t* [Science Options](#Science_Options)\n\t* [Process Analysis Options](#Process_Analysis_Options)\n\t* [I/O Controls](#I/O_Controls)\n\t* [Aerosol Diagnostics Controls](#Aersol_Diagnostics_Controls)\n\t* [Diagnostic Output Flags](#Diagnostic_Output_Flags)\n\t* [Offline Emissions Configuration](#Offline_Emissions_Config)\n\t* [Lightning NOx Configuration](#Lightning_NOx_Config)\n\t* [Online Biogenic Emissions Configuration](#Online_Bio_Config)\n\t* [Windblown Dust Emissions Configuration](#windblown_dust_config)\n\n\n\n\n\n## A.1 Configuration Options (config_cmaq.csh)\n\n\n\n[Return to Top](#TOC_A)\n\n\n\nConsistency of configuration variables is critical for building CMAQ itself, not just its libraries. Accordingly, CMAQ includes the configuration script config_cmaq.csh to help enforce consistent environment settings for CMAQ and its associated libraries. The following lists the config_cmaq.csh variables defined for the build process and suggests values to which to set those variables.\n\nNote that for multiprocessor applications it is recommended that the Fortran MPI wrapper script mpif90 be specified for the Fortran compiler (myFC). Using this script, instead of a direct call to the Fortran compiler, will ensure that the full suite of MPI components (libraries and include files) for the compiler are included in the parallel build.\n\n- `CMAQ_HOME` \n The central CMAQ installation directory. For example, if you installed the CMAQ source code in the directory `/home/user/CMAQ` set CMAQ_HOME with `export CMAQ_HOME=/home/user/CMAQ` for bash or `setenv CMAQ_HOME /home/user/CMAQ` for csh; note that this variable is M3HOME prior to CMAQv5.2\n\n- `CMAQ_DATA`\n Automatically set by config_cmaq.csh; note that this variable is M3DATA prior to CMAQv5.2\n\n- `OUTDIR`\n Only necessary if the Budget Tool is activated. If this variable is unspecified, CMAQ will try to output the Budget Tool file to the root directory. This will be updated in future CMAQ versions to be consistent with other output files. \n\n- `CMAQ_LIB`\n Automatically set by config_cmaq.csh; note that this variable is M3LIB prior to CMAQv5.2\n\n- `compiler`\n Set the Fortran compiler type that you will use to compile CMAQ; choices are intel, pgi, or gcc\n\n- `compilerVrsn`\n (Optional) Set the Fortran compiler version number that you will use to compile CMAQ; if you employ this variable, it will be appended to the compiler type when naming build directories and executables\n\n- `IOAPI_INCL_DIR`\n Location of the I/O API include files installed on your Linux system\n\n- `IOAPI_LIB_DIR`\n Location of the I/O API library on your Linux system\n\n- `NETCDF_LIB_DIR`\n Location of the netCDF C Library on your Linux system\n \n- `NETCDF_INCL_DIR`\n Location of the netCDF C include files on your Linux system\n\n- `NETCDFF_LIB_DIR`\n Location of the netCDF Fortran Library on your Linux system\n \n- `NETCDFF_INCL_DIR`\n Location of the netCDF Fortran include files on your Linux system\n\n- `MPI_LIB_DIR`\n Location of the Message Passing Interface Library on your Linux system\n\n- `ioapi_lib`\n Name of the I/O API library on your system; set to \"-lioapi\"\n\n- `netcdf_lib`\n Name of the netCDF library C on your system; set to \"-lnetcdf\" for versions < 4.2.0, \"-lnetcdf\" for version 4.2.0 and later\n \n- `netcdff_lib`\n Name of the netCDF Fortran library on your system; set to \"-lnetcdff\" for versions 4.2.0 and later, for version before 4.2.0 this library is bundled with the C library.\n\n- `pnetcdf_lib`\n Name of the parallel netCDF library on your system; set to \"-lpnetcdf\"\n\n- `mpi_lib`\n Name of the MPI library on your system; set to \"-lmpich\" for MVAPICH, \"-lmpi\" for OpenMPI\n\n- `myFC`\n Set to match the `FC` (Fortran compiler) you use to compile netCDF\n\n- `myCC`\n Set to match the `CC` (C compiler) you use to compile netCDF\n\n- `myFSTD` \n Standard Mode Fortran compiler optimization flags for your Linux system; suggested values for CMAQ are in the distributed script \n\n- `myDBG` \n Debug Mode Fortran compiler optimization flags for your Linux system; suggested values for CMAQ are in the distributed script\n\n- `myLINK_FLAGS` \n Fortran compile linker flags for your Linux system; suggested values for CMAQ are in the distributed script\n\n- `myFFLAGS`\n Fixed-format Fortran compiler optimization flags for your Linux system; suggested values for CMAQ are in the distributed script\n\n- `myCFLAGS`\n C compiler optimization flags for your Linux system; suggested values for CMAQ are in the distributed script\n\n- `myFRFLAGS`\n Free form-format Fortran compiler optimization flags for your Linux system; suggested values for CMAQ are in the distributed script\n\n- `extra_lib`\n Set to other libraries required for compiling on your Linux system; users will likely need to change this setting in the distributed script for portability to their system.\n\n- `EXEC_ID`\n Build tag, should be automatically set by config_cmaq.csh. Users who build the CMAQ model from a git repository will see the SHA ID, corresponding to the state of the repository code used to build their model, inserted into this EXEC_ID. This will support the model build and resulting output being uniquely associated with the model source code version.\n\n- `CMAQ_REPO` This is always the location of the CMAQ repository that the user will pull from to create exectuables. If the user is building CMAQ inside the repository then it will be equal to CMAQ_HOME. If not, the user must supply an alternative folder location.\n\n\n\n## A.2 Compilation Options (bldit_cctm.csh)\n\n\n\n[Return to Top](#TOC_A)\n\n\n\nThe configuration options listed here are set during compilation of the CCTM executable through the build script, bldit_cctm.csh, located under the CCTM/scripts folder. When these options are invoked they create a binary executable that is fixed to the specified configuration. To change these options, you must recompile CCTM and create a new executable.\n\nSeveral of the CCTM science modules have more than one option. Brief descriptions of these options are provided here.\n\nThe following options are invoked by uncommenting the line in the CCTM build script. Comment the line in the script using a \"#\" to turn the option off.\n\n- `CompileBLDMAKE` \n Uncomment to use an existing BLDMAKE executable to build CCTM executable. If commented out, recompile BLDMAKE utility from the source.\n\n- `CopySrc` \n Uncomment to copy the source code into a working build (BLD) directory. Currently, this option cannot be commented out to successfully compile the model. \n\n- `MakeFileOnly` \n Uncomment to build a Makefile but to not compile the executable. The Makefile will be located in the BLD directory and can subsequently be used to manually compile the executable by typing 'make' in the BLD direcotry. Comment out to both create a Makefile and compile the executable when invoking the bldit_cctm.csh script.\n \n- `ParOpt` \n Build an executable for running on multiple processors. Invoking this command requires the availability of the MPI library/INCLUDE files.\n \n- `build_parallel_io` \n Uncomment to build CMAQ with true parallel I/O feature (requires mpi version of ioapi 3.2 and pnetcdf, refer to [Appendix D](./CMAQ_UG_appendixD_parallel_implementation.md).)\n\n- `Debug_CCTM` \n Uncomment to compile the CCTM executable in Debug Mode.\n \n- `ISAM_CCTM` \n Uncomment to compile the CCTM executable with Integrated Source Apportionment Method (ISAM). See [Chapter 11](../CMAQ_UG_ch11_ISAM.md) for futher information before invoking this option. \n \n- `build_twoway` \n Uncomment to build WRF-CMAQ two way model with explicit meteorological-chemical feedbacks - to build a stand-alone CMAQ, comment this option out. During run time, if you encounter any problem, please contact David Wong (wong.david@epa.gov) for specific instructions for building WRF-CMAQ.\n\n\nThe following configuration settings may have multiple options. Select one option in the CCTM build script.\n\n- `ModGrid: [default: Cartesian]` \n The CCTM model grid configuration module. Currently only Cartesian coordinates are supported by CMAQ. Do not change this module setting.\n - `grid/cartesian`\n\n- `ModAdv: [default: wrf_cons]` \n 3-D Horizontal module. See [Chapter 6](../CMAQ_UG_ch06_model_configuration_options.md#65-advection) for further information.\n - `wrf_cons` \n use the WRF vertically integrated column mass to calculate vertical advection\n - `local_cons` \n use the layer-by-layer integrated mass-conserving scheme to calculate vertical advection\n \n- `ModHdiff: [default: hdiff/multiscale]` \n The only option in CMAQv5 for the horizontal diffusion module is `hdiff/multiscale`, which uses a diffusion coefficient based on local wind deformation. Do not change this module setting. See [Chapter 6](../CMAQ_UG_ch06_model_configuration_options.md#66-horizontal-diffusion) for further information.\n - `hdiff/multiscale`\n \n- `ModVdiff: [default: vdiff/acm2]` \n Vertical diffusion and surface exchange module. Do not change this module setting. See [Chapter 6](../CMAQ_UG_ch06_model_configuration_options.md#67-vertical-diffusion) for further information.\n - `vdiff/acm2` \n calculate vertical diffusion using the Asymmetric Convective Model version 2 (ACM2)\n \n- `ModDepv: [default: depv/m3dry]` \n Deposition calculation module. Users may choose between the msdry and stage options. If CMAQ output of land use specific deposition or stomatal flux is desired, then the stage option must be selected. See [Chapter 6](../CMAQ_UG_ch06_model_configuration_options.md#68-dry-depositionair-surface-exchange) for further information. \n - `depv/m3dry` \n CMAQ m3dry dry deposition routine. This is an updated version of the routine that has always been in CMAQ. See [Chapter 6](../CMAQ_UG_ch06_model_configuration_options.md#681-dry-deposition---m3dry) for further information.\n - `depv/stage`\n CMAQ stage dry deposition routine. This option is new in version 5.3. See [Chapter 6](../CMAQ_UG_ch06_model_configuration_options.md#682-dry-depostion---stage) for further information. \n\n- `ModEmis: [default: emis/emis]` \n CMAQ inline anthropogenic and natural emissions module. Inline emissions are activated by the user via the CCTM run script. Do not change this module setting. See [Chapter 6](../CMAQ_UG_ch06_model_configuration_options.md#inline-stream-offline) for further information.\n - `emis/emis`\n\n\n- `ModBiog: [default: biog/beis4]` \nCalculate biogenic emissions online with the BEIS4 model. Online biogenic emissions are activated in the CCTM run script. Do not change this module setting. See [Chapter 6](../CMAQ_UG_ch06_model_configuration_options.md#biogenics) for further information.\n - `biog/beis4`\n- `ModMegBiog: [default: biog/megan3]` \nCalculate biogenic emissions online with the MEGAN3.1 model. Online biogenic emissions are activated in the CCTM run script. Do not change this module setting. See [Chapter 6](../CMAQ_UG_ch06_model_configuration_options.md#biogenics) for further information.\n - `biog/megan3`\n- `ModPlmrs: [default: plrise/smoke]` \nCalculate inline plume rise for large point sources using the Briggs algorithm as it is implemented in SMOKE. Inline emissions plume rise is controlled in the CCTM run script. Do not change this module setting. See [Chapter 6](../CMAQ_UG_ch06_model_configuration_options.md#inline-stream-offline) for further information.\n - `plrise/smoke` \n\n- `ModCgrds: [default: spcs/cgrid_spcs_nml]` \n CMAQ model species configuration module.\n - `spcs/cgrid_spcs_nml` \n namelist files used to configure CMAQ model species\n - `spcs/cgrid_specs_icl` \n use Fortran INCLUDE files to configure CMAQ model species\n\n- `ModPhot: [default: phot/inline]` \n Photolysis calculation module. See [Chapter 6](../CMAQ_UG_ch06_model_configuration_options.md#6103-photolysis) for further information.\n - `phot/inline` \n calculate photolysis rates inline using simulated aerosols and ozone concentrations\n - `phot/table` \n calculate clear-sky photolysis rates off-line using the CMAQ program JPROC; provide daily photolysis rate look-up tables to CCTM\n\n- `Mechanism: [default: cb6r5_ae7_aq`] \n Chemistry mechanism for gas, aerosol, and aqueous chemistry. See the [CMAQv5.3 Chemical Mechanisms Table](../../../CCTM/src/MECHS/README.md) for a listing of the mechanism choices that are available in CMAQv5.3. See [Chapter 6](../CMAQ_UG_ch06_model_configuration_options.md#610-gas-phase-chemistry) for further information.\n- `Tracer [default trac0] ` \n Specifies tracer species. Invoking inert tracer species in CMAQ requires defining the tracers using namelist files and compiling the CMAQ programs with these files. The setting for this module corresponds to the directory name in the ``$CMAQ_HOME/CCTM/src/MECHS`` directory that contains the namelist files for the tracer configuration. The default setting does not use any tracers.\n - `trac[n]`\n\n- `ModGas: [default: gas/ebi_${Mechanism}]` \n Gas-phase chemistry solver module. See [Chapter 6](../CMAQ_UG_ch06_model_configuration_options.md#6102-solvers) for further information.\n - `smvgear` \n use the SMVGEAR chemistry solver\n - `ros3` \n use gas/the Rosenbrock chemistry solver\n - `ebi` \n use the Euler Backward Iterative solver\n\n- `ModDiag` \n use various diagnostic routines. Currently only the vertical extraction tool is implemented here.\n\n- `ModAero: [default: aero7]` \n CMAQ aero/aerosol module. See [Chapter 6](../CMAQ_UG_ch06_model_configuration_options.md#611-aerosol-dynamics-and-chemistry) for further information.\n - `aero7` \n seventh-generation modal CMAQ aerosol model with extensions for sea salt emissions and thermodynamics; includes a new formulation for secondary organic aerosol yields\n\n- `ModCloud: [default: cloud/acm_ae6]` \n CMAQ cloud module for modeling the impacts of clouds on deposition, mixing, photolysis, and aqueous chemistry. See [Chapter 6](../CMAQ_UG_ch06_model_configuration_options.md#612-aqueous-chemistry-scavenging-and-wet-deposition) for further information.\n - `cloud/acm_ae6` \n ACM cloud processor that uses the ACM methodology to compute convective mixing with aqueous chemistry for AERO6\n - `cloud/acm_ae6_mp` \n ACM cloud processor that uses the ACM methodology to compute convective mixing with aqueous chemistry for AERO6 and air toxics; this is the multipollutant mechanism in CMAQv5\n - `cloud/acm_ae7` \n ACM cloud processor that uses the ACM methodology to compute convective mixing with aqueous chemistry for AERO7\n - `cloud/acm_ae7_kmt2` \n ACM cloud processor that uses the ACM methodology to compute convective mixing with aqueous chemistry for AERO7. This cloud mechanism considers kinetic mass transfer and uses a Rosenbrock solver to simulate extended aqueous chemistry in cloud droplets\n - `cloud/acm_cracmm` \n ACM cloud processor that uses the ACM methodology to compute convective mixing with aqueous chemistry for CRACMM\n\n- `ModUtil: [default: util]` \n CMAQ utility modules. Do not change this module setting.\n - `util/util`\n\n- `ModPa: [default: procan/pa]`\n Process analysis is controlled in the CCTM run script. Do not change this module setting.\n - `procan/pa`\n\n- `ModPvO3: [default: pv_o3]`\n Potential vorticity parameterization for free-troposphere exchange of ozone. Do not change this module setting. See [Chapter 6](../CMAQ_UG_ch06_model_configuration_options.md#613-potential-vorticity-scaling) for further information.\n - `pv_o3`\n \n\n\n## A.3 Execution Options (run_cctm.csh)\n\n\n\n[Return to Top](#TOC_A)\n\n\n\nThe environment variables listed below are invoked during execution of the CCTM and are set in the CCTM run script, run_cctm.csh located under the CCTM/scripts folder.\n\n- `compiler [default: intel]`\n- `compilerVrsn [default: Empty]`\n- `VRSN [default: v55]`\n- `PROC [default: mpi]` \nSets if the CCTM will run in multi-processor or serial mode.\n - `mpi` \n Use MPI multi-processor configuration. The CCTM executable must have been built to support MPI, see bldit_cctm.csh compilation options above. The run script requires settings for the number of processors and other MPI configuration variables required by the Linux system. \n - `serial` \n Run the CCTM in serial, single-processor mode. \n- `MECH [default: None]` \n CMAQ chemical mechanism. Must match `Mechanism` variable setting in the CCTM build script. See [Chapter 6](../CMAQ_UG_ch06_model_configuration_options.md#using-predefined-chemical-mechanisms) for further information. \n- `APPL [default: none]` \n Application name used to label output binaries and log files. \n- `RUNID [default: $VRSN_compiler_APPL]` \n Run ID used to track version number, compiler, and application case name. \n- `BLD` \n Directory path of the built CCTM executable \n- `EXEC [default: CCTM_$VRSN]` \n The name of the CCTM executable. \n\n\n\n### MPI Configuration\n\n\n\n[Return to Top](#TOC_A)\n\n\n\n- `NPCOL_NPROW [default: 1 1]` \n The numbers of columns and rows for decomposing the modeling domain in an MPI configuration. The product of this pair of numbers must equal the total number of processors allocated to the CCTM simulation. For serial or single-processor MPI runs set to `1 1`. For example, for an 8 processor MPI simulation, set to `4 2`. \n- `NPROCS [default: 1]` \n Number of processors to allocate for the CCTM simulation; equal to the product of NPCOL x NPROW. For serial or single-processor MPI runs set to `1`, otherwise set to the product of the two numbers used in NPCOL_NPROW. \n\n\n\n### Vertical extent\n\n\n\n[Return to Top](#TOC_A)\n\n\n\n- `NZ [default: 35]` \n Set the number of vertical layers. Script variable only, variable not used by CCTM model. Vertical extent inherited from MCIP model inputs. \n\n\n\n### Timestep Configuration\n\n\n\n[Return to Top](#TOC_A)\n\n\n\n- `NEW_START [default: TRUE]` \n Value should be true for new simulations starting from an initial condition file. To restart from a previous days simulation output, set to FALSE. For all standard runscripts, this variable is automatically set to FALSE after looping to the second day of the simulation. \n- `START_DATE` \n Simulation start date in Gregorian format (YYYY-MM-DD) \n- `END_DATE` \n Simulation end date in Gregorian format (YYYY-MM-DD) \n- `STTIME` \n Simulation start time (HHMMSS) \n- `NSTEPS [default: 240000]` \n Number of simulation time steps (HHMMSS) \n- `TSTEP [default: 010000]` \n Simulation output time step interval (HHMMSS). Must be a mutiple of the run length. \n- `MET_TSTEP [default: time step of METCRO3D file]` \n Meteorology input time step interval (HHMMSS). Users who wish to specify temporally coarser meteorology then their input meteorology may do so using this environment variable; this environmental variable is not included in our default runscripts. The default value of MET_TSTEP is the time-step of the METCRO3D file (input meteorology data step). Users may however specify MET_TSTEP to be multiples of the input meterology time-step as long as they add up to the output time step (define as environmental variable TSTEP). Ex. If the meteorology files have data available at 10 minute intervals and a desired 1-hour output frequency, valid MET_STEPS are {10,20,30,30,60...} minutes. \n\n\n\n### CCTM Configuration Options\n\n\n\n[Return to Top](#TOC_A)\n\n\n\n- `GRID_NAME [default: Blank]` \n Name of the grid definition contained in the GRIDDESC file that specifies the horizontal grid for the current application of the model. \n- `GRIDDESC [default: Path to GRIDDESC file]` \n Grid description file for setting the horizontal grid definition. \n- `CTM_APPL [default: ${RUNID}_${YYYYMMDD}]` \n CCTM log and output file naming extension. \n- `CONC_SPCS [if commented out, all species]` \n Model species to be written to the CCTM_CONC file, including temperature, relative humidity and pressure. See [Chapter 7](../CMAQ_UG_ch07_model_outputs.md#72-cctm-output-files) for further information.\n- `CONC_BLEV_ELEV [if commented out, all layers]` \n Vertical model layer range for the CCTM_CONC file concentrations; this variable sets the lower and upper layers over which to output the CCTM_CONC file. In the example script, BLEV and ELEV are both set to 1, so concentrations will only be written for the first layer.\n- `AVG_CONC_SPCS [if commented out, output all species]` \n Model species for calculating integral average concentrations for each output time step. Options can be any of the standard output species that are written to the CCTM_CONC file, including temperature, relative humidity and pressure. The species in this list will be written to the CCTM_ACONC output file. See [Chapter 7](../CMAQ_UG_ch07_model_outputs.md#72-cctm-output-files) for further information.\n- `ACONC_BLEV_ELEV [default: if commented out, all layers]` \n Vertical model layer range for integral average concentrations; this variable sets the lower and upper layers over which to calculate integral average concentrations. For example, setting this variable to “1 5” will produce integral average concentrations for model layers 1 through 5.\n- `AVG_FILE_END_TIME [default: N]` \n Change the time stamp of the ACONC file output time step from the default of the beginning of the hour to the end of the hour.\n - `Y`: Set the time stamp to the end of each hour. \n - `N`: Set the time stamp to the beginning of the hour. \n- `EXECUTION_ID [default: Blank]` \n The name of the CCTM executable; automatically set by the script. \n\n\n\n### Synchronization Time Step and Tolerance Options\n\n\n\n[Return to Top](#TOC_A)\n\n\n\n- `CTM_MAXSYNC [default: 720]` \n Maximum synchronization time step in seconds \n- `CTM_MINSYNC [default: 60]` \n Minimum synchronization time step in seconds \n- `SIGMA_SYNC_TOP [default: .70]` \n Top sigma level thru. which sync step determined \n- `ADV_HDIV_LIM [default: .9]` \n Maximum horizontal divergence limit for advection time step adjustment \n- `CTM_ADV_CFL [default: .75]` \n Maximum Courant–Friedrichs–Lewy (CFL) condition \n- `RB_ATOL [default: 1.0E-07]` \n If using Rosenbrock (ros3) photochemistry solver, the absolute tolerance for\n converging to solution\n- `RB_RTOL [default: 1.0E-03]` \n If using Rosenbrock (ros3) photochemistry solver, relative tolerance for converging \n to solution\n- `GEAR_ATOL [default: 1.0E-09]` \n If using Gear (smvgear) photochemistry solver, the absolute tolerance for\n converging to solution\n- `GEAR_RTOL [default: 1.0E-03]` \n If using Gear (smvgear) photochemistry solver, relative tolerance for converging \n to solution\n\n\n\n### Science Options\n\n\n\n[Return to Top](#TOC_A)\n\n\n\n- `CTM_OCEAN_CHEM [default: True]` \n Use online sea spray aerosol emissions, halogen ozone chemistry, and enhanced ozone deposition over ocean waters. See [Chapter 6](../CMAQ_UG_ch06_model_configuration_options.md#sea-spray) for further information. \n- `CTM_LTNG_NO [default: Y]` \n Y/N setting to activate lightning NO emissions. Setting this variable to Y requires additional variables to define the configuration of the lightning NO emissions calculation. See the settings for `LTNGNO`, `LTNGPARAMS`, `NLDN_STRIKES`, and `LTNGDIAG` below. See [Chapter 6](../CMAQ_UG_ch06_model_configuration_options.md#lightning-no) for further information.\n- `KZMIN [default: Y]` \n If KZMIN is set to Y, CCTM will read the urban land use fraction variable (PURB) from the GRID_CRO_2D meteorology file and use this information to determine the minimum eddy diffusivity in each grid cell. In CMAQv5, grid cells that are predominantly urban use a KZMIN value of 1.0 m2/s and non-urban cells use a value of 0.01 m2/s. If this variable is set to N, the PURB variable will not be used and a uniform KZMIN value of 1.0 m2/s will be used throughout the modeling domain.\n- `CTM_MOSAIC [default N]` \n Y/N setting to ouput land use specific deposition velocities and fluxes. This option is only available when using the STAGE deposition module. See [Chapter 6](../CMAQ_UG_ch06_model_configuration_options.md#682-dry-depostion---stage) for further information.\n- `CTM_STAGE_P22 [default: N]` \n Y/N setting to select the land use specific implementation of the Pleim et al. 2022 aerosol deposition parameterization in the STAGE deposition option. See [Chapter 6](../CMAQ_UG_ch06_model_configuration_options.md#682-dry-depostion---stage) for further information.\n- `CTM_STAGE_E20 [default: Y]` \n Y/N setting to select the land use specific and modal implementation of the Emerson et al. 2020 aerosol deposition parameterization in the STAGE deposition option. See [Chapter 6](../CMAQ_UG_ch06_model_configuration_options.md#682-dry-depostion---stage) for further information.\n- `CTM_STAGE_S22 [default: N]` \n Y/N setting to select the land use specific implementation of the Shu et al. 2022 and v5.3 STAGE aerosol deposition parameterization in the STAGE deposition option. See [Chapter 6](../CMAQ_UG_ch06_model_configuration_options.md#682-dry-depostion---stage) for further information. \n- `PX_VERSION` \n Y/N setting to indicate whether the Pleim-Xiu land-surface model was used for the input meteorology. If this setting is set to Y the input meteorology data must include soil moisture (SOILM), soil temperature (SOILT), and soil type (ISLTYP) variables for use in the calculation of soil NO emissions. Additionally, the soil properties from PX will be used in the dust model and in the STAGE deposition module for calculating the soil compensation point for ammonia bidirectional exchange. See [Chapter 6](../CMAQ_UG_ch06_model_configuration_options.md#682-dry-depostion---stage) for further information.\n- `CLM_VERSION` \n Y/N setting to indicate whether the Community Land Model (CLM) land-surface model was used in generating the input meteorology. If this setting is set to Y the input meteorology data must include soil moisture (SOILM), soil temperature (SOILT), and soil type (ISLTYP) variables for use in the calculation of soil NO emissions. Additionally, the soil properties from CLM will be used in the dust model and in the STAGE deposition module for calculating the soil compensation point for ammonia bidirectional exchange. See [Chapter 6](../CMAQ_UG_ch06_model_configuration_options.md#682-dry-depostion---stage) for further information.\n- `NOAH_VERSION` \n Y/N setting to indicate whether the Noah land-surface model was used in generating the input meteorology. If this setting is set to Y the input meteorology data must include soil moisture (SOILM), soil temperature (SOILT), and soil type (ISLTYP) variables for use in the calculation of soil NO emissions. Additionally, the soil properties from Noah will be used in the dust model and in the STAGE deposition module for calculating the soil compensation point for ammonia bidirectional exchange. See [Chapter 6](../CMAQ_UG_ch06_model_configuration_options.md#682-dry-depostion---stage) for further information.\n- `CTM_ABFLUX [default: Y]` \n Y/N setting to activate fertilizer ammonia bidirectional flux for in-line emissions and deposition velocities. Setting this variable to Y requires four additional input files that include gridded fractional crop distributions (E2C_LU), soil properties (E2C_SOIL), fertilizer conditions (E2C_CHEM), and an agricultural soil initial conditions file (INIT_MEDC_1). Activation of this setting will produce additional variables in the output dry deposition file. \n- `CTM_BIDI_FERT_NH3` \n Y/N setting to indicate whether fertilizer NH3 should be subtracted from the emissions and handled instead by the NH3 bidirectional flux model. Note that the bidirectional flux model must also be invoked by setting CTM_ABFLUX to Y. \n- `CTM_HGBIDI [default: N]`\n Y/N setting to activate mercury bidirectional flux for in-line emissions and deposition velocities. Activation of this setting will produce additional variables in the output dry deposition file. \n- `CTM_SFC_HONO [default: Y]`\n Y/N setting to include surface HONO interactions. See [Chapter 6](../CMAQ_UG_ch06_model_configuration_options.md#6.10.4_HONO) for further information. \n- `CTM_GRAV_SETL [default Y]` \n Y/N setting to activate gravitational sedimentation for aerosols. \n- `CTM_BIOGEMIS_BEIS [default: Y]` \n Y/N setting to calculate biogenic emissions using BEIS. If this option is activated, several additional variables must be set (see the online biogenic emissions configuration settings). See [Chapter 6](../CMAQ_UG_ch06_model_configuration_options.md#biogenics) for further information.\n- `CTM_BIOGEMIS_MEGAN [default: N]` \n Y/N setting to calculate biogenic emissions using MEGAN. If this option is activated, several additional variables must be set (see the online biogenic emissions configuration settings). See [Chapter 6](../CMAQ_UG_ch06_model_configuration_options.md#biogenics) for further information.\n- `AEROSOL_OPTICS [default: 3]` Determines how aerosol optical properies are calculated for the Inline Calculation of Photolysis Frequencies. \n -- VALUES 1 thru 3 determined by using Uniformly Volume Mixed sphere for each aerosol mode \n --- 1-Inline Tabular Method based on Mie Calculations over range of aerosol properties \n --- 2-Solves Mie Theory using aerosol size distribution and mean refractive indices \n --- 3-Approximations to Mie Theory based on Mie Parameters and mean refractive indices \n -- VALUES 4 thru 6 attempts to use core-shell mixing model when the aerosol mode has signficant black carbon core otherwise uses Volume Mixed model where optics determined as \n --- 4-Inline Tabular Method based on Mie Calculations \n --- 5-Solves Mie Theory \n --- 6-Approximations to Mie Theory \n- `CTM_PVO3 [default: N]` \n Y/N determines whether to scale ozone in free-troposphere to potential vorticity. Option requires that METCRO3D file has PV, potential vorticity. See [User Guide 6.13](../CMAQ_UG_ch06_model_configuration_options.md#613-potential-vorticity-scaling) for more information.\n- `IC_AERO_M2USE [default: T]` Instructs CMAQ whether or not to use aerosol surface area from the Initial Condition file. If this option is set to false, then uniform diameter and standard deviation will be applied to each aerosol mode. If a particular simulation is a restart from a simulation preceeding in time (i.e. if this is any day after the first simulation day), then IC_AERO_M2USE is automatically set to True inside CMAQ.\n- `IC_AERO_M2WET [default: F=dry]` Instructs CMAQ whether or not to assume the initial condition surface area is consistent with dry or wet diameter. Note that most air quality models assume mode parameters are dry, and then will calculate wet diameter when needed (e.g. for deposition).\n- `BC_AERO_M2USE [default: T]` Instructs CMAQ whether or not to use aerosol surface area from the Boundary Condition file. If this option is set to false, then uniform diameter and standard deviation will be applied to each aerosol mode from the boundaries. \n- `BC_AERO_M2WET [default: F=dry]` Instructs CMAQ whether or not to assume the boundary condition surface area is consistent with dry or wet diameter. Note that most air quality models assume mode parameters are dry, and then will calculate wet diameter when needed (e.g. for deposition). For more information about the IC_AERO and BC_AERO options, please see [Chapter 6](../CMAQ_UG_ch06_model_configuration_options.md#6.11.1_Aero_BC)\n\n\n\n### Process analysis options\n\n\n\n[Return to Top](#TOC_A)\n\n\n\n- `CTM_PROCAN [default: N]` \n Activate process analysis in the CCTM. Set the environment variable, PACM_INFILE (Read below for more information), that defines the integrated process rate and integrated reaction rate outputs from CCTM. Additional process analysis output files will be created when this setting is activated. \n- `PA_BCOL_ECOL [default: 0]` \n Modeling grid domain column range for the process analysis calculations. Set to the two digits representing the beginning and ending column number bounding the process analysis domain. \n- `PA_BROW_EROW [default: 0]` \n Modeling grid domain row range for the process analysis calculations. Set to the two digits representing the beginning and ending row number bounding the process analysis domain. \n- `PA_BLEV_ELEV [default: 0]` \n Modeling grid domain layer range for the process analysis calculations. Set to the two digits representing the bottom and top layer numbers bounding the process analysis domain. \n- `PACM_INFILE` \n Input file that specifies the desired output information (read by pa_read.F). See Table 1 in [Chapter 9](../CMAQ_UG_ch09_process_analysis.md) for details on the types of equations and operators that can be used in this file. A sample file is included in each of the mechanism folders under the CCTM/src/MECHS directory. For example, the file pa_cb6r3_ae7_aq.ctl in CCTM/src/MECHS/cb6r3_ae7_aq provides a template of IRR and IPR commands.\n- `PACM_REPORT` \n The output file that displays how CMAQ translates the variables listed in `PACM_INFILE`, and lists the reactions (including reactants, products and yields) that will be used in calculating the IPR and IRR values. \n\n\n\n### I/O Controls\n\n\n\n[Return to Top](#TOC_A)\n\n\n\n- `IOAPI_LOG_WRITE [default:False]` \n Set to T to turn on excess WRITE3 logging by the I/O API. \n- `FL_ERR_STOP [default: False]` \n Set to T to configure the program to exit if inconsistent headers are found in the input files. \n- `PROMPTFLAG [default: False]` \n Turn on I/O-API PROMPTFILE interactive mode. Set to T to require interactive prompts for different I/O API operations. \n- `IOAPI_OFFSET_64 [default: True]` \n I/O API setting for large time step records. If your output time step is going to produce data that are >2GB per time step, then this needs to be set to YES. \n\n\n\n### Aerosol Diagnostics Controls\n\n\n\n[Return to Top](#TOC_A)\n\n\n\nAerosol Diagnostics are now handled by the Explicit and Lumped Model Output module (ELMO), which is directed by the Emission Control Interface (ECI). See [Appendix B.6: ELMO](CMAQ_UG_appendixB_emissions_control.md) \n\n\n\n### Diagnostic Output Flags\n\n\n\n[Return to Top](#TOC_A)\n\n\n\n- `CTM_CKSUM [default: True]` \n Write science processes summaries to the standard output. Impacts run speed and log file output size. \n- `CLD_DIAG [default: False]` \n Output an hourly wet deposition diagnostic file (CTM_WET_DEP_2) that includes convective wet deposition estimates. \n- `CTM_PHOTDIAG [default: False]` \n Output files for viewing the photolysis rates used in the model simulation and what meterological and other factors determined the rates. The inline and table options produce three files (`CTM_RJ_1`, `CTM_RJ_2` and `CTM_RJ_3`) and one file (`CTM_RJ_2`), respectively. `CTM_RJ_1` is a two dimensional file that contains key photolysis rates and radiative parameters. `CTM_RJ_2` contains the photolysis rates used over the model domain. `CTM_RJ_3` contains data used to calculate the photolysis rates. \n-- `NLAYS_PHOTDIAG [default: 1]` : Number of layers in `CTM_RJ_2` and\n `CTM_RJ_3` files. Permitted values equal 1 to number of layers in model domain. Only the inline option uses this runtime option. \n-- `NWAVE_PHOTDIAG [default:294 303 310 316 333 381 607]` : In \n `CTM_RJ_3`, the wavelengths of diagnostic data written. The user can use or subset the default \n values. \n- `CTM_SSEMDIAG [default: False]` \n Output the calculated sea salt emissions to a diagnostic netCDF output file (CTM_SSEMIS_1). \n- `CTM_DUSTEM_DIAG [default: False]` \n Output the online dust emissions to a diagnostic netCDF output file (CTM_DUST_EMIS_1). The diagnostic file includes not only the total dust emissions, but also dust emissions by land use category and dust model parameters, such as gridded erodible land use fractions. \n- `CTM_DEPV_FILE [default: False]` \n Output an hourly diagnostic file (CTM_DEPV_DIAG) for the inline deposition velocity calculations. \n- `LTNGDIAG [default: False]` \n Output a lightning NO emissions diagnostics file. \n- `CTM_WVEL [default: Y]` \n Y/N setting to output the CCTM-calculated vertical velocities to the CONC and ACONC file. \n \n\n\n### Offline emissions configuration\n\n\n\n[Return to Top](#TOC_A)\n\n\n\n- `N_EMIS_GR ` \n The number of offline gridded streams to be used by the model. See [Chapter 6](../CMAQ_UG_ch06_model_configuration_options.md#inline-stream-offline) for further information.\n \n- `GR_EMIS_### ` \n Directory path and file name of the gridded file for stream number ###, where ### = 001, 002,…,N_EMIS_GR. See [Chapter 6](../CMAQ_UG_ch06_model_configuration_options.md#inline-stream-offline) for further information.\n \n- `GR_EMIS_LAB_### ` \n Short label of the gridded file for stream ###, where ### = 001, 002,…,N_EMIS_GR. See [Chapter 6](../CMAQ_UG_ch06_model_configuration_options.md#inline-stream-offline) for further information. \n\n- `GR_EM_SYM_DATE_### [default: False]` \n Switch to indicate whether gridded emission is of representative day type for stream ###, where ### = 01, 02,…,N_EMIS_GR. See [Chapter 6](../CMAQ_UG_ch06_model_configuration_options.md#inline-stream-offline) for further information.\n \n- `N_EMIS_PT `\n The number of offline Point emission streams to be used by the model. See [Chapter 6](../CMAQ_UG_ch06_model_configuration_options.md#inline-stream-offline) for further information.\n \n- `STK_GRPS_### ` \n Directory path and file name of the stack groups file for sector ###, where ### = 001, 002,…,N_EMIS_PT. Each ### refers to one of the inline plume rise point-source sectors. See [Chapter 6](../CMAQ_UG_ch06_model_configuration_options.md#inline-stream-offline) for further information. \n\n- `STK_EMIS_###` \n Directory path and file name of the point emissions file for sector ###, where ### = 01, 02,…,N_EMIS_PT. Each ### refers to the one of the plume rise point-source sectors. See [Chapter 6](../CMAQ_UG_ch06_model_configuration_options.md#inline-stream-offline) for further information. \n\n- `STK_EMIS_DIAG_###` \n Logical for turning on/off diagnostic output for point emissions file for sector ###, where ### = 01, 02,…,N_EMIS_PT. Each ### refers to the one of the plume rise point-source sectors. These data reflect the emission rates after scaling rules have been applied by DESID, the emissions control interface. Values for STK_EMIS_DIAG_### include FALSE, TRUE, 2D, 2DSUM, and 3D. The TRUE and 2D options are synonymous and will output just the surface layer of emissions. The 2DSUM option outputs a 2D file with values calculated from summing the entire column of emissions in each horizontal grid cell. The 3D option outputs a full 3D file. All options provide output across all output time steps during the simulation day. See [Chapter 6](../CMAQ_UG_ch06_model_configuration_options.md#inline-stream-offline) for further information. \n \n - `STK_EMIS_LAB_### ` \n Short label of the point emissions file for sector ###, where ### = 001, 002,…,N_EMIS_PT. Each ### refers to the one of the plume rise point-source sectors. See [Chapter 6](../CMAQ_UG_ch06_model_configuration_options.md#inline-stream-offline) for further information.\n \n - `STK_EM_SYM_DATE_### [default: False]` \n Switch to indicate whether point emission file is of representative day type for sector ###, where ### = 01, 02,…,N_EMIS_PT. Each ### refers to the one of the plume rise point-source sectors. See [Chapter 6](../CMAQ_UG_ch06_model_configuration_options.md#inline-stream-offline) for further information. \n \n- `EMIS_SYM_DATE [default: False]` \n The default for GR_EM_SYM_DATE_### and STK_EM_SYM_DATE_### if not set explicitly is false, however users have the option to set this default by setting this environment variable. Users should note, that if this variable is set and GR_EM_SYM_DATE_### or STK_EM_SYM_DATE_### is set, the individual stream switch takes precedent over this variable. This switch maybe useful if all offline emissions are of representative day type. See [Chapter 6](../CMAQ_UG_ch06_model_configuration_options.md#inline-stream-offline) for further information.\n\n\n\n### Lightning NOx configuration\n\n\n\n[Return to Top](#TOC_A)\n\n\n\n- `LTNGNO [default: \"InLine\"]` \n Setting to define whether the lightning emissions calculation will be inline or off-line. This variable can be set to a gridded netCDF file of lightning NO emissions to use emissions calculated with a preprocessor outside of CCTM. Setting this variable to “inline” activates the inline emissions calculation in CCTM and requires the LTNGPARMS_FILE variable (see below) to provide parameters for generating inline lightning NO emissions. See [Chapter 6](../CMAQ_UG_ch06_model_configuration_options.md#lightning-no) for further information. \n\n- `USE_NLDN [default: False]` \n Use hourly NLDN or WWLLNs strikes data to compute inline lightning NO emissions. Activating this setting requires the NLDN_STRIKES input files (the files can be either NLDN hourly data or WWLLNs hourly data). If USE_NLDN is set to N and LTNGNO set to \"InLine\", lightning NO emissions will be generated using parameters provided in the LTNGPARMS_FILE. \n Lightning parameters netCDF file, which contains the linear regression parameters for generating lightning NO using the parameterization scheme when LTNGNO set to \"InLine\" and USE_NLDN set to N. In addition, it also contains the intercloud to cloud-to-ground flash ratios, scaling factors for calculating flashes using the convective precipitation rate, land-ocean masks, and the moles of NO per flash (cloud-to-ground and intercloud) which are used by both lightning production schemes (NLDN and parameterization). Ingore if LTINGNO set to an external input file. See [Chapter 6](../CMAQ_UG_ch06_model_configuration_options.md#lightning-no) for further information. \n\n- `CTM_LTNGDIAG_1` \n Lightning diagnostics output 3D netCDF file; ignore if `LTNGDIAG = N` \n\n- `CTM_LTNGDIAG_2` \n Lightning diagnostics output 2D netCDF file (column total lightning NO emissions); ignore if `LTNGDIAG = N` \n\n\n### Online biogenic emissions configuration\n\n\n\n[Return to Top](#TOC_A)\n\n\n\n- `BEIS_SOILOUT [default: [Out Directory/CCTM_BSOILOUT_$RUNID_$TODAY]` \n Directory path and file name of biogenic NO soil emissions output file. See [Chapter 6](../CMAQ_UG_ch06_model_configuration_options.md#biogenics) for further information. \n\n- `BEIS_SOILINP [default: [Out Directory/CCTM_BSOILOUT_$RUNID_$YESTERDAY]` \n Directory path and file name of biogenic NO soil emissions input file. If NEW_START is set to N or F, the soil NO emissions file from the previous day's simulation will be a required input file. See [Chapter 6](../CMAQ_UG_ch06_model_configuration_options.md#biogenics) for further information. \n\nOptions for use with BEIS:\n\n- `GSPRO [default: Build Directory]` \n Directory path and file name for input ASCII speciation profiles. See [Chapter 6](../CMAQ_UG_ch06_model_configuration_options.md#biogenics) for further information. \n\n- `BEIS_NORM_EMIS [default: None]` \n Grid-normalized biogenic emissions input netCDF file. See [Chapter 6](../CMAQ_UG_ch06_model_configuration_options.md#biogenics) for further information. \n \n- `PX_VERSION [default: True]` \n Setting to indicate whether the Pleim-Xiu land-surface model was used for the input meteorology. If this setting is set to Y the input meteorology data must include soil moisture (SOILM), soil temperature (SOILT), and soil type (ISLTYP) variables for use in the calculation of soil NO emissions. \n\n- `B3GTS_DIAG [default: False]` \n Write the online biogenic emissions (mass units) to a diagnostic netCDF output file (B3GTS_S). \n\n- `B3GTS_S [default: [Output Directory]/CCTM_B3GTS_$CTM_APPL.nc` \n Diagnostic output netCDF file of biogenic emissions. This variable is ignored if B3GTS_DIAG is set to N. \n\nOptions for use with MEGAN:\n\n- `USE_MEGAN_LAI [default: N]`\n By default MEGAN will use the same leaf area index information as the rest of CMAQ. Toggle if a separate LAI dataset is desired. When this option is enabled the user must also set the environment variable MEGAN_LAI. \n \n- `MEGAN_SOILOUT [default: [Out Directory/CCTM_MSOILOUT_$RUNID_$TODAY]` \n Directory path and file name of MEGAN's biogenic NO soil emissions output file. See [Chapter 6](../CMAQ_UG_ch06_model_configuration_options.md#biogenics) for further information. \n\n- `MEGAN_SOILINP [default: [Out Directory/CCTM_MSOILOUT_$RUNID_$YESTERDAY]` \n Directory path and file name of MEGAN's biogenic NO soil emissions input file. If NEW_START is set to N or F, or if IGNORE_SOILINP is set to F (Default), the soil NO emissions file from the previous day's simulation will be a required input file. See [Chapter 6](../CMAQ_UG_ch06_model_configuration_options.md#biogenics) for further information. \n \n- `IGNORE_SOILINP [default: N]`\n Similar to the obsolete INITIAL_RUN option for BEIS, this option allows a user to perform a CMAQ restart without needing an MEGAN_SOILINP file for the previous day. Instanteous values of shortwave radiation and surface temperature will be used instead of the previous daily average, and soil NO variables are set to their initialization values as for a new run. \n\n- `USE_MEGAN_BDSNP [default: N ]`\n Toggle to use the Berkeley-Dalhousie Soil NOx Parameterization (BDSNP) instead of the default option based on Yinger and Levy (1995). If the BDSNP option is activated, several additional variables must be set (see below). See [Chapter 6](../CMAQ_UG_ch06_model_configuration_options.md#biogenics) for further information.\n\n- `MEGAN_CTS`\n Points to canopy file that was created using the MEGAN preprocessor.\n\n- `MEGAN_EFS`\n Points to emission factor file that was created using the MEGAN preprocessor.\n\n- `MEGAN_LDF`\n Points to light dependent fraction file that was created using the MEGAN preprocessor.\n\n- `MEGAN_LAI`\n Optional. Points to leaf area index file that was created using the MEGAN preprocessor.\n\n- `BDSNP_AFILE`\n For BDSNP. Points to the ARID file that was created using the MEGAN preprocessor.\n\n- `BDSNP_NAFILE`\n For BDSNP. Points to the NONARID file that was created using the MEGAN preprocessor.\n\n- `BDSNP_FFILE`\n For BDSNP. Points to the FERT file that was created using the MEGAN preprocessor.\n\n- `BDSNP_LFILE`\n For BDSNP. Points to the LANDTYPE file that was created using the MEGAN preprocessor.\n\n- `BDSNP_NFILE`\n For BDSNP. Points to the nitrogen deposition file that was created using the MEGAN preprocessor.\n\n\n\n\n### Windblown dust emissions configuration\n\n\n\n[Return to Top](#TOC_A)\n\n\n\n- `CTM_WB_DUST [default: False]` \n Setting to calculate online windblown dust emissions in CCTM. Requires additional setting of environmental variable `PX_VERSION` to \"Y\". See [Chapter 6](../CMAQ_UG_ch06_model_configuration_options.md#wind-blown-dust) for further information.\n \n\n\n\n\n[<< Tables and Figures](../CMAQ_UG_tables_figures.md) - [Home](../README.md) - [Next Appendix >>](CMAQ_UG_appendixB_emissions_control.md)
\nCMAQv5.5 User's Guide
\n\n \n" }, { "path": "DOCS/Users_Guide/Appendix/CMAQ_UG_appendixB_emissions_control.md", "content": "\r\n\r\n[<< Previous Appendix](CMAQ_UG_appendixA_model_options.md) - [Home](../README.md) - [Next Appendix >>](CMAQ_UG_appendixC_spatial_data.md)\r\n\r\n\r\n\r\n* * *\r\n\r\n# Appendix B: Emissions Input and Control\r\n[Jump to DESID Tutorial](../Tutorials/CMAQ_UG_tutorial_emissions.md) for step by step instructions on performing some basic manipulation of emission streams.\r\n\r\n[Jump to Emissions overview](../CMAQ_UG_ch06_model_configuration_options.md) in Chapter 6 of this User's Guide.\r\n\r\n## B.1 Emissions Control with the Detailed Emissions Scaling, Isolation and Diagnostics Module (DESID)\r\n\r\nThe Detailed Emissions Scaling, Isolation and Diagnostics (DESID) module included with CMAQv5.3+ provides comprehensive customization and transparency of emissions manipulation to the user. The customization of emissions is accomplished via a series of Control Namelists, which contain variables that modify the behavior of the emissions module. These include ***Emission Scaling Rules***, ***Size Distributions***, ***Regions Registry***, ***Chemical Families***, ***Region Families***, and ***Area Adjustments***.\r\n\r\nTo determine its configuration, DESID makes use of input primarily from four files: the CMAQ runscript, the CMAQ Miscellaneous Control File ([CMAQ_Control_Misc.nml][link_B.1_misc]), the DESID Control file ([CMAQ_Control_DESID.nml][link_B.1_desis]), and the DESID Chemical Mapping File (e.g. [CMAQ_Control_DESID_cb6r5_ae7_aq.nml][link_B.1_desid]). \r\nA separate version of the chemical mapping control file exists for every mechanism because these namelists are preloaded with likely rules linking emissions of important CMAQ primary species to their typical emission species names as output by SMOKE. \r\nBy default, this namelist is stored in each chemical mechanism folder (e.g. MECHS/cb6r5_ae7_aq) and is copied into the user's build directory when bldit_cctm.csh is executed and a chemical mechanism is chosen. If the user modifies the name or location of the DESID control file or chemical mapping file, then the following commands in the RunScript should be updated as well:\r\n```\r\nsetenv DESID_CTRL_NML ${BLD}/CMAQ_Control_DESID.nml\r\nsetenv DESID_CHEM_CTRL_NML ${BLD}/CMAQ_Control_DESID_${MECH}.nml\r\n```\r\n\r\nIf the user does not provide a DESID Control Files or the path to the files in the RunScript are incorrect, then the model will abort and indicate the error. If the user would like all emissions set to 0, it is recommended that they use the syntax outlined here and in the DESID tutorial to do so. \r\n\r\n\r\n## B.2 Chemical Mapping Control\r\nThe chemical mapping file contains emission scaling rules that allow the user to exert sophisticated, precise control over the emissions from specific streams, in specific geographic areas, and/or for specific compounds. \r\nThe set of rules used by CMAQ to interpret emissions shall be provided in one array called DESID_Rules_nml. It is necessary that every field (i.e. column) be populated for every rule. The fields are given and defined here:\r\n```\r\n! Region | Stream Label |Emission | CMAQ- |Phase/|Scale |Basis |Op \r\n! Label | |Surrogate| Species |Mode |Factor| |\r\n```\r\n- 'Region Label' - Apply scaling for specific regions of the domain. Set this field to \"EVERYWHERE\" to apply the rule to the entire domain.\r\n- 'Stream Label' - Short Name from Run Script (e.g. the value of GR_EMIS_01_LAB or STK_EMIS_01_LAB). There are a few reserved names that apply to online emissions streams. These are:\r\n - BIOG - Biogenic VOC emissions computed by BEIS\r\n - MIOG - Biogenic VOC emissions computed by MEGAN\r\n - MGEM - Marine Gas Emissions\r\n - LTNG - Lightning NO Emissions\r\n - WBDUST - Wind-Blown Dust Emissions\r\n - SeaSpray - Sea Spray Aerosol Emissions \r\n\r\n Set this field to 'ALL' to apply the rule to all emission streams. \r\n- 'Emission Species' - The character string identifying the species on the emission file or in the online calculation that the CMAQ species should be mapped to. \r\nFor gases, usually this name is the same as the CMAQ species. For aerosols, it is usually slightly different (e.g ANO3 vs. PNO3). Set this field to 'ALL' to apply the rule to all emission species. \r\n- 'CMAQ-Species' - Internal Species Name. Set this field to 'ALL' to apply the rule to all CMAQ internal species.\r\n- 'Phase/Mode' - If the CMAQ-Species is a Gas, this field should equal 'Gas'. If the CMAQ-Species is an aerosol, this field should indicate one of the possible emission aerosol modes. Every stream by default is given a 'COARSE' and 'FINE' mode. The user may refer to these or define others above and refer to them as well. This level of specificity is needed so that aerosol number and surface area are calculated correctly, and so that any unit conversions between gases and aerosols can be handled correctly. \r\n- 'Scale Factor' - Numerical adjustment factor to be applied to the mapping.\r\n- 'Basis' - Specifies whether the scaling option should apply with consideration of mass/mole conversions, or if the operation should ignore the units of the incoming variable and target CMAQ species. This parameter is ignored for multiply rules (i.e. the 'm' operator is specified) because unit conversion will have already been considered in the preceding add ('a') and/or overwrite ('o') rules. CMAQ includes a lookup table of molecular weights for known emission species (in desid_vars.F) and can use these to translate molar and mass emission rates from the input file to rates in units corresponding to the CMAQ internal species. CMAQ determines the units of the emission species by reading the file header (i.e. it is important the units are accurate). Options for input are:\r\n - 'MASS' - Conserve Mass. For example, if emissions of an aerosol are to be scaled to emissions of a gas species, it is common to want to conserve mass.\r\n - 'MOLE' - Conserve Moles. For example, if emissions of a gas-phase species are to be scaled to another gas, it is sometimes desired to conserve moles since gas emissions are provided on a mole basis.\r\n - 'UNIT' - Ignore molecular weight conversions and apply emission rate directly regardless of units.\r\n - Example 1: Particle-phase variable Y (units in g/s) on the emission file is mapped to CMAQ gas-phase species X with a scale factor of B. Emissions for X are needed in mol/s.\r\n - If Basis is set to UNIT, then EMIS(X) = EMIS(Y) * B\r\n - If Basis is set to MASS, then EMIS(X) = EMIS(Y) * B * MW(X) \r\n - If Basis is set to MOLE, then EMIS(X) = EMIS(Y) * B / MW(Y) \r\n - Example 2: Gas-phase variable Y (units in mol/s) on the emission file is mapped to CMAQ gas-phase species X with a scale factor of B. Emissions for X are needed in mol/s.\r\n - If Basis is set to UNIT, then EMIS(X) = EMIS(Y) * B\r\n - If Basis is set to MASS, then EMIS(X) = EMIS(Y) * B * MW(Y) / MW(X) \r\n - If Basis is set to MOLE, then EMIS(X) = EMIS(Y) * B \r\n - Example 3: Particle-phase variable Y (units in g/s) on the emission file is mapped to CMAQ particle-phase species X with a scale factor of B. Emissions for X are needed in g/s.\r\n - If Basis is set to UNIT, then EMIS(X) = EMIS(Y) * B \r\n - If Basis is set to MASS, then EMIS(X) = EMIS(Y) * B\r\n - If Basis is set to MOLE, then EMIS(X) = EMIS(Y) * B / MW(Y) * MW(X)\r\n\r\n- 'Operation' - Specifies the kind of rule to be carried out. Options are:\r\n - 'a' - add the rule to existing instructions. This operation should be used for new entries, too.\r\n - 'm' - find existing scaling instructions matching this rule's features (ie. species, streams, etc) and multiply them by the factor in this particular rule. This operator ignores the 'BASIS' input parameter regardless of its value (UNIT, MASS or MOLES). \r\n - 'o' - find existing scaling instructions matching this rule and overwrite them. \r\n\r\n### B.2.1 Default Rules\r\nThe Chemical Mapping Control Namelists provided with the CMAQ repo have default rules included that correspond to each chemical mechanism. Here is an example default rule that links NO in CMAQ to NO from every emission stream in every model grid cell with a scale factor of 1.0.\r\n```\r\n! Region | Stream Label |Emission | CMAQ- |Phase/|Scale |Basis |Op \r\n! Label | |Species | Species |Mode |Factor| |\r\n'EVERYWHERE' , 'All' ,'NO' ,'NO' ,'GAS' ,1.0 ,'UNIT','a',\r\n```\r\nMany rules are needed in order to properly link every emitted pollutant to a CMAQ species. Rules are needed for gas- and aerosol-phase species. Additional rules also exist for online aerosol modules like wind-blown dust and sea spray because the names of aerosol emission species from these modules are different than those typically used for SMOKE output. For example, fine-mode aerosol sulfate is commonly called PSO4 in SMOKE, but is PMFINE_SO4 from dust and sea spray.\r\n\r\n### B.2.2 Modifying Default rules\r\nThe user can modify any default rule to change the scale factor applied, the spatial area to be considered, or the streams to be applied to. Alternatively, the user can add new rules after the default rules to customize the emissions. Typical modifications may include multiplying the emissions of a particular species from a particular stream by a factor of 2, zeroing out emissions of all species from a particular stream, etc. Please see the tutorial on [Prescribing Emissions with DESID](../Tutorials/CMAQ_UG_tutorial_emissions.md) for specific examples of modifications and the syntax used to invoke them.\r\n\r\n#### B.2.2.1 Supporting the Volatility Basis Set\r\nThe *Volatility Basis Set* for treating the semivolatile partitioning of primary organic emissions is an example of a model feature that is well-supported by DESID. The approach involves distributing the emissions of total primary organic aerosol (carbon and noncarbon mass, or POC and PNCOM) among a series of aerosol and gas species of varying volatility.\r\n\r\nIf the user would like to invoke the nonvolatile partitioning assumption, it can be accomplished by directing all POC and PNCOM emissions to the POC and PNCOM species in CMAQ.\r\n```\r\n ! --> Nonvolatile POA\r\n 'EVERYWHERE', 'ALL' ,'POC' ,'APOC' ,'FINE',1. ,'MASS','a',\r\n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'APNCOM' ,'FINE',1. ,'MASS','a',\r\n```\r\nIf the user would like to apply a uniform volatility distribution to the POA emissions, it can be accomplished with the following rules.\r\n```\r\n ! --> Semivolatile POA\r\n 'EVERYWHERE', 'ALL' ,'POC' ,'VLVPO1' ,'GAS' ,0. ,'MASS','a',\r\n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'VLVPO1' ,'GAS' ,0. ,'MASS','a',\r\n 'EVERYWHERE', 'ALL' ,'POC' ,'VSVPO1' ,'GAS' ,0.045,'MASS','a',\r\n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'VSVPO1' ,'GAS' ,0.045,'MASS','a',\r\n 'EVERYWHERE', 'ALL' ,'POC' ,'VSVPO2' ,'GAS' ,0.14 ,'MASS','a',\r\n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'VSVPO2' ,'GAS' ,0.14 ,'MASS','a',\r\n 'EVERYWHERE', 'ALL' ,'POC' ,'VSVPO3' ,'GAS' ,0.18 ,'MASS','a',\r\n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'VSVPO3' ,'GAS' ,0.18 ,'MASS','a',\r\n 'EVERYWHERE', 'ALL' ,'POC' ,'VIVPO1' ,'GAS' ,0.50 ,'MASS','a',\r\n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'VIVPO1' ,'GAS' ,0.50 ,'MASS','a',\r\n 'EVERYWHERE', 'ALL' ,'POC' ,'ALVPO1' ,'FINE',0.09 ,'MASS','a',\r\n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'ALVPO1' ,'FINE',0.09 ,'MASS','a',\r\n 'EVERYWHERE', 'ALL' ,'POC' ,'ASVPO1' ,'FINE',0.045,'MASS','a',\r\n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'ASVPO1' ,'FINE',0.045,'MASS','a',\r\n 'EVERYWHERE', 'ALL' ,'POC' ,'ASVPO2' ,'FINE',0. ,'MASS','a',\r\n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'ASVPO2' ,'FINE',0. ,'MASS','a',\r\n 'EVERYWHERE', 'ALL' ,'POC' ,'ASVPO3' ,'FINE',0. ,'MASS','a',\r\n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'ASVPO3' ,'FINE',0. ,'MASS','a',\r\n 'EVERYWHERE', 'ALL' ,'POC' ,'AIVPO1' ,'FINE',0. ,'MASS','a',\r\n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'AIVPO1' ,'FINE',0. ,'MASS','a',\r\n```\r\nNotice that for each species (e.g. ALVPO1) a rule is needed to link the species to the emissions of POC and another rule is needed to add PNCOM. This is because current mechanisms both carbon and noncarbon mass are part of the emissions of every semivolatile species. To change the volatility distribution for all streams, the user may modify the scaling factors in the default rules above. To introduce specialized volatility distributions for specific stream (e.g. residential wood burning, forest fires, diesel vehicles, etc), rules may be added which explicitly identify a stream in the \"Stream Label\" field.\r\nAlternatively, emitted species may be added on the offline file that correspond to individual emission sectors, and sector-specific volatility distributions may then be applied to those species. \r\n\r\nTo avoid large swings in repartitioning after emission, it is a good idea to split mass between gas and particle phases, with all mass going to the particle in the C* = 0.1-1 range and all gas for C* = 100-1000. Species with C*=10 can generally have mass split between gas and particle or be put in all gas if conditions are very clean. If too much mass evaporates or condenses upon emission, the aerosol size distribution will be affected. \r\n\r\n#### B.2.2.2 Supporting Potential Combustion SOA\r\n\r\nPotential Combustion SOA (pcSOA) is a CMAQ species introduced to account for missing pathways for SOA formation from combustion sources. It includes IVOC oxidation as well as other phenomena (Murphy et al., ACP, 2017). It was parameterized primarily in LA, where vehicle exhaust continues to dominate. The following emission rulese add the gas-phase precursor to pcSOA to the model scaled to POA.\r\n 'EVERYWHERE', 'ALL' ,'POC' ,'PCVOC' ,'GAS' ,6.579,'MASS','a', \r\n 'EVERYWHERE', 'ALL' ,'PNCOM' ,'PCVOC' ,'GAS' ,6.579,'MASS','a', \r\n\r\nHowever, the added pcSOA is probably inappropriate for Fire sources, especially in its current configuration. This pathway should be zeroed out for all fire and wood-burning related sources. The default emission control interfaces include a number of emission rules with the most common stream names for fire emission inputs in order to maximize the likelihood of zeroing out pcSOA from fires. The user should confirm that pcVOC emissions from fire sources are zero for all simulations. \r\n 'EVERYWHERE', 'PT_FIRES' ,'ALL' ,'PCVOC' ,'GAS' ,0.0 ,'MASS','o',\r\n 'EVERYWHERE', 'PT_RXFIRES' ,'ALL' ,'PCVOC' ,'GAS' ,0.0 ,'MASS','o',\r\n 'EVERYWHERE', 'PT_AGFIRES' ,'ALL' ,'PCVOC' ,'GAS' ,0.0 ,'MASS','o',\r\n 'EVERYWHERE', 'PT_OTHFIRES' ,'ALL' ,'PCVOC' ,'GAS' ,0.0 ,'MASS','o',\r\n 'EVERYWHERE', 'PT_FIRES_MXCA','ALL' ,'PCVOC' ,'GAS' ,0.0 ,'MASS','o',\r\n 'EVERYWHERE', 'GR_RES_FIRES' ,'ALL' ,'PCVOC' ,'GAS' ,0.0 ,'MASS','o',\r\n\r\nThe CRACMM mechanism (introduced in CMAQv5.4) does not use PCSOA or PCVOC because it provides a mechanistic estimate of OA production. If those species are present, they should be removed. The only exception is if they are coming from the boundary conditions (i.e. if boundary conditions are being supplied by a non-CRACMM model run). \r\n\r\n## B.3 DESID Control\r\nThe DESID control file (CMAQ_Control_DESID.nml) provides chemical mechanism-independent user inputs to DESID. Important variable sections are the General Options, Area Normalization, Size Distribution Parameters, Region Definitions, and Diagnostic Output Configuration. \r\n\r\n### B.3.1 General Options\r\nThe maximum number of DEISD layers can be set with\r\n```\r\n&Desid_Options\r\n Desid_MaxLays = 0 \r\n/\r\n```\r\nThis variable can limit the impact of vertical mixing (plume-rise) algorithms in CMAQ. If Desid_MaxLays = 0, then all model layers are available for emissions.\r\n\r\n\r\n### B.3.2 Area Normalization and Projection Adjustment\r\nSpecify area-normalized emission fluxes from input streams. If emission inputs are provided to CMAQ in area-normalized fluxes for any stream, this component may be used to convert them correctly to emission rates appropriate for the model simulation grid projection. \r\nFor example, if biogenic emissions are provided in units of moles/m2/s, then that stream may be identified here and DESID can be instructed to adjust each flux to moles/s and adjust the rates using the map scale factor that converts emissions in real geographic space into projected grid space. \r\n\r\nDefinition of Fields: \r\n 'Stream Label' - Declare a stream. If the label is 'ALL', then the instruction will be expanded to all OFFLINE streams. \r\n 'Area Normalization' - If TRUE, then this stream's emissions will be multiplied by grid cell area. If AUTO, then DESID will deduce from the units string whether or not each variable on the stream input file should be multiplied by the area scale factor. \r\n 'Projection Adjustment' - If TRUE, then this stream's emissions will be multiplied by the area Map Scale Factor. If AUTO, then DESID will inherit the per-stream value from Area Normalization. If Area Normalization is TRUE, the Projection Adjustment is True. \r\n\r\nExample:\r\n```\r\n&AreaNorm\r\n AREA_NML =\r\n ! | Stream Label | Area Normalization | Projection Adjustment\r\n 'ALL' ,'AUTO' ,'AUTO',\r\n 'GRIDDED' ,'TRUE' ,'TRUE',\r\n 'FIRES' ,'TRUE' ,'FALSE',\r\n 'VCP' ,'FALSE' ,'TRUE',\r\n/\r\n```\r\nIf emissions have been prepared by SMOKE or a similar emissions processing tool that computes emissions on a model grid, it is not expected that an area normalization or projection adjustment will be needed. \r\nThis feature was developed primarily for applications where an offline emission model produces area-normalized emission fluxes, not emission rates. \r\n\r\n### B.3.3 Aerosol Size Distributions \r\nThe treatment of aerosol size distributions in CMAQv5.3 has been updated to be more consistent with the way particle sizes and modes are treated by the National Emission Inventory and in emissions processing tools like SMOKE, MOVES, SPECIATE, and Speciation Tool. Specifically, in these tools, aerosol emissions are typically parameterized into two main modes, Fine and Coarse. Although the size distribution parameters (i.e. total number, diameter, standard deviation, etc.) for these modes will vary among emission sources, previous versions of CMAQ assumed that all primary fine particles had the same size distribution upon emission. Coarse-mode particles were assumed to exhibit a larger diameter but were also uniform across all sources (excluding wind-blown dust and sea spray).\r\n\r\nIn CMAQv5.3 and beyond, users link particle emission species to CMAQ particle species via the DESID_Scaling section of the Chemical Mapping Control Namelist. Examples of default mapping rules can be found in any of the Chemical Mapping Control Namelists in the CMAQ repository. The three lines below assign emissions for all streams for particulate-phase sulfate, ammonium, and nitrate.\r\n```\r\n! Region | Stream Label |Emission | CMAQ- |Phase/|Scale |Basis |Op \r\n! Label | |Species | Species |Mode |Factor| |\r\n'EVERYWHERE' , 'ALL' ,'PSO4' ,'ASO4' ,'FINE',1.0 ,'UNIT','a',\r\n'EVERYWHERE' , 'ALL' ,'PNH4' ,'ANH4' ,'FINE',1.0 ,'UNIT','a',\r\n'EVERYWHERE' , 'ALL' ,'PNO3' ,'ANO3' ,'FINE',1.0 ,'UNIT','a',\r\n```\r\nThe CMAQ-Species field should be populated with bulk chemical names (e.g. ASO4, AEC, AK, ACA, etc). In other words, the 'i','j', or 'k' which usually designates the mode of the aerosol species name should be omitted. A list of the valid aerosol bulknames exists in the source file \"[AERO_DATA.F][link_B.3_aero]\" in the array named \"aerolist\". The user should also identify the aerosol mode to be populated using the \"Phase/Mode\" field. In the example above, all of the rules identify the \"FINE\" mode as the destination mode. CMAQ uses this value to look up the size distribution parameters (diameter and standard deviation) to apply for this particular emission.\r\n\r\nAerosol mode keywords from the DESID_Scaling section are linked to reference mode labels in the Desid_SizeDist section of the DESID Control Namelist. These assignments can be made for all streams at once, as demonstrated by the first two default entries initializing the 'FINE' and 'COARSE' modes, or they can be made on a stream-by-stream basis as shown below for Wind-Blown Dust and Sea Spray aerosol.\r\n```\r\n&Desid_SizeDist\r\n Desid_Sd_nml =\r\n ! | Stream Label | Emiss. Mode | Ref. Mode\r\n ! 'ALL' ,'FINE' ,'FINE_REF',\r\n ! 'ALL' ,'COARSE' ,'COARSE_REF',\r\n 'WBDUST' ,'FINE' ,'FINE_WBDUST',\r\n 'WBDUST' ,'COARSE' ,'COARSE_WBDUST',\r\n 'SEASPRAY' ,'FINE' ,'FINE_SEASPRAY',\r\n 'SEASPRAY' ,'COARSE' ,'COARSE_SEASPRAY',\r\n ! 'AIRCRAFT' ,'FINE' ,'AIR_FINE', !To use these examples, you\r\n ! 'AIRCRAFT' ,'COARSE' ,'AIR_COARSE', ! must add entries for AIR_FINE\r\n ! and AIR_COARSE to the data structure\r\n ! em_aero_ref in AERO_DATA.\r\n```\r\nThe 'Ref. Mode Labels' are used to lookup size distribution parameters in [AERO_DATA.F][link_B.3_aero]. The following reference modes are defined in this file:\r\n```\r\nTYPE em_aero\r\n Character( 20 ) :: name\r\n Real :: split( n_mode ) ! dimensionless\r\n Real :: dgvem( n_mode ) ! meters\r\n Real :: sgem ( n_mode ) ! dimensionless\r\nEND TYPE em_aero\r\nINTEGER, PARAMETER :: desid_n_aero_ref = 9\r\n\r\nTYPE( em_aero ), Parameter :: desid_aero_ref( desid_n_aero_ref ) = (/\r\n\r\n! ----Name---- -----Split----- ---Geo. Mean Diameter--- ---Stnd Dev.---\r\n& em_aero('FINE_REF ',(/0.1,0.9,0.0/),(/0.06E-6,0.28E-6 ,6.0E-6 /),(/1.7,1.7,2.2/)), ! Default Accum and Aitken Mode\r\n& em_aero('ACC_REF ',(/0.0,1.0,0.0/),(/0.06E-6,0.28E-6 ,6.0E-6 /),(/1.7,1.7,2.2/)), ! Just Accumulation Mode\r\n& em_aero('COARSE_REF ',(/0.0,0.0,1.0/),(/0.06E-6,0.28E-6 ,6.0E-6 /),(/1.7,1.7,2.2/)), ! Just Coarse Mode\r\n& em_aero('UNITY_REF ',(/1.0,1.0,1.0/),(/0.06E-6,0.28E-6 ,6.0E-6 /),(/1.7,1.7,2.2/)), ! Used for online sectors (e.g. SeaSpray)\r\n& em_aero('ZERO_REF ',(/0.0,0.0,0.0/),(/0.06E-6,0.28E-6 ,6.0E-6 /),(/1.7,1.7,2.2/)), ! Zero out the emissions\r\n& em_aero('FINE_WBDUST ',(/0.0,1.0,0.0/),(/0.06E-6,1.391E-6,5.26E-6/),(/1.7,2.0,2.0/)), ! Default Fine Wind-Blown Dust Parameterization\r\n& em_aero('COARSE_WBDUST ',(/0.0,0.0,1.0/),(/0.06E-6,1.391E-6,5.26E-6/),(/1.7,2.0,2.0/)), ! Default Coarse Wind-Blown Dust Param.\r\n& em_aero('FINE_SEASPRAY ',(/0.0,1.0,0.0/),(/0.06E-6,1.391E-6,5.26E-6/),(/1.7,2.0,2.0/)), ! Fine Sea Spray Parameterization is Dynamic.\r\n& em_aero('COARSE_SEASPRAY',(/0.0,0.0,1.0/),(/0.06E-6,1.391E-6,5.26E-6/),(/1.7,2.0,2.0/)) ! Coarse Sea Spray Parameterization is Dynamic.\r\n ! The values here are not actually used but\r\n ! are replaced in SSEMIS when FACNUM and FACSRF\r\n ! are calculated online.\r\n& /)\r\n````\r\nUsers can add as many new size distributions as they want, as long as they increment the variable n_em_aero_ref to always equal the number of size distributions in the lookup array (desid_aero_ref).\r\n\r\nCMAQ will use the size distribution reference value linked to each emissions scaling rule via the phase/mode keyword to calculate the fraction of each aerosol primary emission that should go into the 'i', 'j', and 'k' modes in the internal aerosol module. \r\nAt first, it may seem that the linking step between phase/mode keywords in the DESID_Scaling section, the corresponding mode keywords in the Desid_SizeDist section, and the reference mode labels is redundant, but it serves an important function. As stated earlier, it is common that modes of similar size from a variety of sources will be referred to by common names like 'FINE' and 'COARSE', even though the size distribution parameters may differ considerably. \r\nWith the linking step provided in the DESID_SizeDist section, parameters for several streams can be specified individually, but all be labeled 'FINE' and applied with one rule in the DESID_Scaling section.\r\n\r\nIn the example above, fine mode Wind-Blown Dust are linked to 'FINE_WBDUST', sea spray aerosols are linked to 'FINE_SEASPRAY' and all other sources are linked to 'FINE_REF'. Thus, different size distributions will be calculated for each of these streams. However, if the user wants to scale the mass of all fine mode aerosol by a factor of 2, the following emission rule is valid:\r\n```\r\n! Region | Stream Label |Emission | CMAQ- |Phase/|Scale |Basis |Op \r\n! Label | |Species | Species |Mode |Factor| |\r\n'EVERYWHERE' , 'ALL' ,'ALL' ,'ALL' ,'FINE',1.0 ,'UNIT','m',\r\n```\r\n \r\n### B.3.4 Defining and Using Regions and Region Families\r\n#### B.3.4.1 Using Defined Regions\r\nGridded masks are used to apply rules to specific areas of the domain. For example, the following rule:\r\n```\r\n! Region | Stream Label |Emission | CMAQ- |Phase/|Scale |Basis |Op \r\n! Label | |Species | Species |Mode |Factor| |\r\n'KENTUCKY' , 'All' ,'All' ,'All' ,'All' ,1.50 ,'UNIT','m',\r\n```\r\nwill scale emissions of all species from all streams by +50% but only in grid cells in the state of Kentucky. One or more I/O API formatted input files containing geographic region definitions are required to take advantage of this option. Such files should contain a separate variable for each spatial region of interest. Each variable is a gridded field of real numbers from 0.0 to 1.0, with 0.0 outside of the region of interest and 1.0 completely inside the region. Region border grid cells should have the geographic fraction attributed to the region (for example, a grid cell that 35% in Kentucky and 65% in Tennessee would have have the number 0.35 for the variable representing the Kentucky mask.\r\n\r\n#### B.3.4.2 Defining Regions \r\n\r\nThe Desid_RegionDef section of the DESID Control Namelist maps each \"Region Label\" to specific variables on specific files. Here is the Desid_RegionDef section in the default namelist:\r\n```\r\n&Desid_RegionDef\r\n Desid_Reg_nml = \r\n ! | Region Label | File_Label | Variable on File\r\n ! 'EVERYWHERE' ,'N/A' ,'N/A',\r\n 'WATER' ,'CMAQ_MASKS' ,'OPEN',\r\n/\r\n```\r\nAs indicated, the Region Label \"EVERYWHERE\" is active by default and returns a mask that operates uniformly across the entire domain. \r\nThe \"File_Label\" field identifies the environment variable in the RunScript that stores the location and name of the file containing the mask. \r\nThe user may modify this to any name they wish as long as it is consistent with the variable name on the RunScript. \r\nThe \"Variable on File\" field identifies the variable on the input file that stores the gridded field to be used for this region. \r\nExamples are provided for two cases. \r\nThe variable Desid_Max_Reg in the Desid_RegionDefVars section must be greater than the number of regions that will be defined.\r\n\r\nIn this case, a region with label \"WATER\" is defined and referenced to the variable \"OPEN\" (which is short for *open water*) in the file 'CMAQ_MASKS' which needs to be defined in the RunScript. Using this \"WATER\" region will apply a scaling rule only for open water grid cells and fractionally along coastlines. \r\n\r\nAs an additional example, let's assume file us_states.nc is defined in the runscript as US_STATES as follows:\r\n```\r\nsetenv US_STATES /home/${CMAQ_HOME}/CCTM/scripts/us_states.nc\r\n```\r\nand contains two variables called NC and SC, representing the fraction of each grid cell that is located in North Carolina and South Carolina, respectively.\" These two variables in the file can be assigned to region labels NC and SC using either of the following methods:\r\n```\r\n&Desid_RegionDef\r\n Desid_Reg_nml = \r\n ! | Region Label | File_Label | Variable on File\r\n ! 'EVERYWHERE' ,'N/A' ,'N/A',\r\n 'NC' ,'US_STATES' ,'NC',\r\n 'SC' ,'US_STATES' ,'SC',\r\n/\r\n```\r\n\r\nAlternatively, all the variables on the US_STATES file may be enabled at once:\r\n```\r\n&Desid_RegionDef\r\n Desid_Reg_nml = \r\n ! | Region Label | File_Label | Variable on File\r\n ! 'EVERYWHERE' ,'N/A' ,'N/A',\r\n 'ALL' ,'US_STATES' ,'ALL',\r\n/\r\n```\r\nRather than listing out all variables on the file and explicitly linking them to \"Region Labels\", the user can invoke the \"ALL\" keyword in both the 'Region Label' and 'Variable on File' fields and all variables will be read and stored. Once either of these definitions are included in the &Desid_RegionDef section, region labels NC and SC can be used in emission scaling instructions as in the Kentucky example above. \r\n\r\nThese gridded mask files are read by CMAQ through environmental variables, which are identified in the RunScript. If variables from multiple mask files are used, each of these mask files needs to be defined in the RunScript. Two example mask files are available on the CMAS Data Warehouse: US states grid mask file and NOAA climate regions grid mask file. These mask files can be used with the 12US1 modeling grid domain (grid origin x = -2556000 m, y = -1728000 m; N columns = 459, N rows = 299).\r\n\r\n* [Link to grid mask files on CMAS Data Warehouse Google Drive](https://drive.google.com/drive/folders/1x9mJUbKjJaMDFawgy2PUbETwEUopAQDl)\r\n* [Link to metadata for the grid mask files is posted on the CMAS Center Dataverse site](https://doi.org/10.15139/S3/XDYYB9)\r\n\r\nCustom mask files may also be made using the [shp2cmaq][link_B.3] tool, which provides instructions for obtaining geospatial data via shape files and converting them to CMAQ gridded input files. One may also populate a CMAQ gridded input file with arbitrary geometric shapes (e.g. squares, diamonds, or other polygons) using the IOAPI library of tools and any common coding language (e.g. Fortran, R, or Python).\r\n\r\n#### B.3.4.3 Region Families\r\nUsers can define families of regions to reduce the number emission rules needed to operate on a group of regions. \r\nFor example, a user could group regions defined in the RegionsRegistry together. For example, if there are already regions that represent North Carolina (let's call it NC) and South Carolina (let's call it SC), then the user could group NC and SC together and call them \"CAROLINAS\". Then when \"CAROLINAS\" is used as the region in a scaling rule, the rule will be distributed and applied to grid cells in both NC and SC. \r\nThe Desid_RegionFam section contains variables for this purpose.\r\n```\r\n&Desid_RegionFam\r\n ! Region Family Definitions\r\n RegionFamiliyName(1) = 'SOUTH'\r\n RegionFamilyMembers(1,:) = 'TEXAS','LOUISIANA','MISSISSIPPI','ALABAMA'\r\n\r\n RegionFamiliyName(2) = 'WEST'\r\n RegionFamilyMembers(2,:) = 'CALIFORNIA','OREGON'\r\n/\r\n```\r\nThe variable Desid_N_Reg_Fams in the Desid_RegionDefVars section must equal the number of region families the user would like to read. \r\nThe variable Desid_Max_Reg_Fam_Members must be greater than the number of regions on any list of region family members. \r\n\r\n\r\n### B.3.5 Stream Families \r\nThe DESID Control File provides an interface for defining stream families that can be used to dramatically simplify the rules a user wishes to apply to their emissions inputs. \r\nThis could be especially useful when defining, for example, a group emission streams relevant for electric power generation or mobile sources. \r\nExample 1 (set Desid_N_Steam_Fams=1 in Desid_StreamFamVars):\r\n```\r\n&Desid_StreamFam\r\n ! For emission streams available in several run scripts under CCTM/scripts\r\n StreamFamilyName(1) = 'PT_SOURCES'\r\n StreamFamilyMembers(1,1:3)= 'PT_NONEGU','PT_EGU','PT_OTHER'\r\n/\r\n```\r\nExample 2 (set Desid_N_Steam_Fams=3 in Desid_StreamFamVars): \r\n```\r\n&Desid_StreamFam\r\n ! For emission streams unique in CCTM/src/run_cctm_cracmm_4LISTOS1.csh script\r\n ! Sources that do not have a source-specific POA treatment\r\n StreamFamilyName(1) = 'GENERAL_POA'\r\n StreamFamilyMembers(1,1:5)= 'GRIDDED_OTHER','GRIDDED_SOLVENTS','PT_CANADA_SOLVENTS','PT_OTHER','PT_US_SOLVENTS'\r\n \r\n ! Diesel-Like Sources\r\n StreamFamilyName(2) = 'DIESEL'\r\n StreamFamilyMembers(2,1:2)= 'GRIDDED_DIESEL','PT_CMV'\r\n \r\n ! US and Canada Aircraft\r\n StreamFamilyName(3) = 'AIRCRAFT'\r\n StreamFamilyMembers(3,1:2)= 'GRIDDED_US_AIRCRAFT','PT_CANADA_AIRPORTS'\r\n/\r\n```\r\nThe variable Desid_Max_Stream_Fam_Members should be set higher than the maximum number of stream members for any stream family.\r\n\r\n### B.3.6 Chemical Families\r\nChemical families are defined analogously to stream and region families but in the CMAQ Miscellaneous Control file. This is because they are useful to modules beyond DESID, including [ELMO](CMAQ_UG_appendixF_elmo_output.md) and the [Budget Tool](../CMAQ_UG_ch09_process_analysis.md). \r\nSee the [Miscellaneous Control File Description](../CMAQ_UG_ch04_model_inputs.md#miscctrl) in Chapter 4 for details. \r\n\r\nOne additional note: if a chemical familiy is defined for use in an emission scaling rule, the user should be careful about confirming that the members of that family are present on the emission input file or the CMAQ model species list, depending on which the user is trying to modify. Since the names on the input files are often different than those on the CMAQ model species list, care is advised. DESID will print warnings to the CMAQ log file when it cannot find species that it is looking for from a chemical family on an input file or in the list of CMAQ model species. Please confirm that the model is operating as you expect. \r\n \r\n## B.3.7 Emissions Diagnostics \r\n### B.3.7.1 Summary Output to Processor-Specific Logfiles \r\nDiagnostic output is an important feature of the new emissions module, DESID. Because the impact of emissions is so critical for CMAQ predictions and because the features available for scaling emissions are now quite complex, a comprehensive text-based output has been added to the CMAQ logfiles to enhance transparency.\r\n\r\nThe logfiles now provide several lists of information to support users from unexpected behaviors or conflicts like inconsistent naming between emissions and CMAQ speciation. First, CMAQ reports for each stream the number and names of all the emission species that were not used. Second, it prints the names of emission species that the user told it to look for but that it could not find on any of the emission streams. If the environment variable:\r\n```\r\nsetenv CTM_EMISCHK Y #> Abort CMAQ if missing emission species from emissions Input files\r\n```\r\nis set to 'Y' or 'True', then the model will abort if it cannot find any individual emission species. If the variable is set to 'N' or 'False' then CMAQ will print a warning and proceed.\r\n\r\nFinally, CMAQ loops through streams and outputs the size distribution modes available for each stream and the full list of every emission instructions applied to each stream. These are ordered by CMAQ species (with 'i', 'j', and 'k' modes listed separately) and emission species name so that a full understanding of the scaling rules applied to each CMAQ species'' emissions can be grasped quickly. Columns are printed for the applicable region(s) of the grid, the phase/mode applied, the input scale factor, the scaling basis, the operation, and the final scale factor applied taking into account any molecular weight conversions, if needed, and size distribution fractions.\r\n\r\n### B.3.7.2 Diagnostic Gridded Output Files\r\nThis component allows users to specify individual species for output on emissions diagnostic output files. In this way, users are able to probe emissions magnitudes and scaling changes for species of interest while not sacrificing the hard disk space needed to save the emission rates of all species for every emission stream. \r\nIt is also possible to combine components of chemical families or stream families as the user''s interest dictates. \r\n\r\nThe Desid_Diag section of the DESID Control File contains variables for configuring this diagnostic output. \r\nUsers may specify any number of rules that, when processed, will result in one or more diagnostic files to be output. This example:\r\n```\r\n&Desid_Diag\r\n Desid_Diag_Streams_Nml(1,:)= 'ALL'\r\n Desid_Diag_Fmt_Nml(1) = 'COLSUM' ! Options: LAYER1, COLSUM, 3D\r\n Desid_Diag_Spec_Nml(1,:) = 'NO','NO2','NOX','ASO4','CO'\r\n/\r\n``` \r\nprints a diagnostic file for every offline and online stream separately. This is specified by the variable Desid_Diag_Streams_Nml. \r\nThe Desid_Diag_Fmt_Nml variable indicates that the data are to be summed throughout each vertical column and only a surface should be written. \r\nOther options include just layer 1 data (LAYER1) and all vertical levels (3D). \r\nThe Desid_Diag_Spec_Nml variable specifies the variables to include on each file. These may refer to CMAQ model species, chemical families, or bulk aerosol species names (all modes would be summed). \r\nThe chemical species can not refer to variables on the emissions files themselves, unless they are equal to the CMAQ species name. \r\nIf any stream does not include emissions for one or more of the species (e.g. windlown dust will not have NO or NO2), then they are omitted from that file automatically. \r\nFor this example, the variable Desid_N_Diag_Rules in the Desid_DiagVars section should be set to 1. \r\n\r\nThe keyword TOTAL may be used in place of ALL in the Streams variable to indicate a sum across all streams rather than an individual file for each. The '*' may also be prepended to any chemical or stream family to instruct DESID to break that family up into its members. For example:\r\n```\r\n&Desid_Diag\r\n EmissDiagStreams(1,:)= 'ALL'\r\n EmissDiagFmt(1) = 'COLSUM' ! Options: LAYER1, COLSUM, 3D\r\n EmissDiagSpec(1,:) = 'NO','NO2','NOX','ASO4','CO'\r\n\r\n EmissDiagStreams(2,:)= 'TOTAL'\r\n EmissDiagFmt(2) = '3D'\r\n EmissDiagSpec(2,:) = 'AEC','AECI','NO2','ACLK','AMG','TERP'\r\n\r\n EmissDiagStreams(3,:)= 'PT_SOURCES'\r\n EmissDiagFmt(3) = 'COLSUM'\r\n EmissDiagSpec(3,:) = 'ALL'\r\n/\r\n```\r\nWe have already described the first example. The second exmaple will sum up all streams using the keyword with the '*' expansion and create one 3D gridded file with six variables: 'AEC' = AECI + AECJ + AECK; 'AECI'; 'NO2'; 'ACLK'; 'AMG' and 'TERP'. \r\nThe third example will create a diagnostic of the sum of the components of the PT_SOURCES family (defined in the stream family section). This file will be column sums and will include all the emitted species appearing on at least one of the streams within PT_SOURCES. \r\nFor this set of example, Desid_N_Diag_Rules in the Desid_DiagVars section should be set to 3. Desid_Max_Diag_Streams and Desid_Max_Diag_Spec should be greater than the maximum number of streams or species on any diagnostic rule list. \r\n\r\n\r\n\r\n\r\n[<< Previous Appendix](CMAQ_UG_appendixA_model_options.md) - [Home](../README.md) - [Next Appendix >>](CMAQ_UG_appendixC_spatial_data.md)
\r\nCMAQv5.5 User's Guide
\r\n\r\n\r\n\r\n \r\n\r\n[link_B.3]: ../../../PYTOOLS/shp2cmaq/\r\n[link_B.1_misc]: ../../../CCTM/src/util/util/CMAQ_Control_Misc.nml\r\n[link_B.1_desis]: ../../../CCTM/src/emis/emis/CMAQ_Control_DESID.nml\r\n[link_B.1_desid]: ../../../CCTM/src/MECHS/cb6r5_ae7_aq/CMAQ_Control_DESID_cb6r5_ae7_aq.nml\r\n[link_B.3_aero]: ../../../CCTM/src/aero/aero6/AERO_DATA.F\r\n\r\n\r\n\r\n[link_B.3]: https://github.com/USEPA/CMAQ/blob/main/PYTOOLS/shp2cmaq/ \r\n[link_B.1_misc]: https://github.com/USEPA/CMAQ/blob/main/CCTM/src/util/util/CMAQ_Control_Misc.nml\r\n[link_B.1_desis]: https://github.com/USEPA/CMAQ/blob/main/CCTM/src/emis/emis/CMAQ_Control_DESID.nml\r\n[link_B.1_desid]: https://github.com/USEPA/CMAQ/blob/main/CCTM/src/MECHS/cb6r5_ae7_aq/CMAQ_Control_DESID_cb6r5_ae7_aq.nml\r\n[link_B.3_aero]: https://github.com/USEPA/CMAQ/blob/main/CCTM/src/aero/aero6/AERO_DATA.F\r\n" }, { "path": "DOCS/Users_Guide/Appendix/CMAQ_UG_appendixC_spatial_data.md", "content": "\r\n\r\n[<< Previous Appendix](CMAQ_UG_appendixB_emissions_control.md) - [Home](../README.md) - [Next Appendix >>](CMAQ_UG_appendixD_parallel_implementation.md)\r\n\r\n\r\n\r\n# Appendix C: Processing Spatial Data for CMAQ Inputs\r\n\r\n## C.1 Geospatial Data\r\n\r\nAir quality modeling requires many spatial data to generate anthropogenic,\r\nbiogenic, fire, sea salt, dust, and NH3 emissions. In addition, land surface characteristics such as\r\nland cover types with vegetation leaf area index (LAI) and fraction, albedo, and soil types are required in\r\nmodeling the exchanges of heat, moisture, and momentum between the land and atmosphere and dry deposition\r\nof trace chemicals (e.g. O3 and NH3). It is important to use a consistent coordinate system for all the geospatial data used in emission, meteorology, and air quality modeling. Most of the geospatial data\r\nrequired for the Sparse Matrix Operator Kernel Emissions (SMOKE), Weather Research and Forecasting\r\n(WRF), and CMAQ modeling can be generated using the [Spatial Allocator (SA)](https://www.cmascenter.org/sa-tools/) or the [Surrogate Tool](https://github.com/CEMPD/SurrogateToolsDB).\r\n\r\nIn using the spatial data, it is important to know the datum, which is a spheroidal surface that represents the surface of the earth, and the projection, which is a mathematic transformation that converts a location on the datum to the location on a flat plane. The following sections briefly describe the appropriate datum and projections to use with the CMAQ system and the methods for generating the needed spatial data in the correct form.\r\n\r\n## C.2 Geodetic datum\r\n\r\n A geodetic datum is a coordinate system used to define a location on the Earth.\r\n There are many datums used in spatial datasets depending on what geographic regions they are and\r\n how the Earth’s surface is approximated as a spheroid. Most of U.S. geospatial data are defined in\r\n North American Datum of 1983 (NAD83) and the global data sets are often defined in World Geodetic System\r\n1984 (WGS84).\r\n\r\nWRF datasets are in WGS84. All latitude-longitude geographic data sets used in a CMAQ simulation,\r\nsuch as emissions shapefiles, land use or biogenic data files, and the ocean file, should be in WGS84\r\nso that they are spatially aligned with the WRF files. For simulations over North America, NAD83 is only\r\nslightly different from the WGS84 datum. As a result, NAD83 can be used for North America domains without\r\nintroducing spatial misalignment issues in the model datasets.\r\n\r\n## C.3 Spatial Data Projection\r\n\r\nCCTM can use any of the [four map projections defined for WRF.](https://www2.mmm.ucar.edu/wrf/users/docs/user_guide_v4/v4.4/users_guide_chap3.html)\r\nThe four map projection coordinate systems are regular latitude-longitude geographic, Lambert conformal conic, Mercator, and Polar\r\nstereographic. However, users should note that several of the PREP and POST tools that are part of the CMAQ system do not currently support the Mercator projection. These include ICON, BCON, sitecmp, sitecmp_dailyo3, bldoverlay, hr2day and writesite.\r\n\r\nIt is important to know that in projecting spatial data that is in WGS84 to the CMAQ projection or projecting CMAQ data to another map projection, users SHOULD NOT do any datum transformation. This is consistent with the WRF preprocessing system (WPS). Datum transformation will result in geographic location shifting.\r\n\r\nThe CMAQ domain projection is defined through the [PROJ](https://proj.org) coordinate transformation software library using a spherical surface with an earth radius of 6370000 m to match the WRF domain projection definition. Once an input dataset is in WGS84 the following examples can be used to define the projection transformation needed to match the WRF data:\r\n\r\nLambert Conformal Conic: \"+proj=lcc +a=6370000.0 +b=6370000.0 +lat_1=33 +lat_2=45 +lat_0=40 +lon_0=-97\"\r\n\r\nPolar stereographic: \"+proj=stere +a=6370000.0 +b=6370000.0 +lat_ts=33 +lat_0=90 +lon_0=-97 +k_0=1.0\"\r\n\r\nMercator: \"+proj=merc +a=6370000.0 +b=6370000.0 +lat_ts=33 +lon_0=0\"\r\n\r\nGeographic: \"+proj=latlong +a=6370000.0 +b=6370000.0\"\r\n\r\n## C.4 Spatial Data Generation\r\n\r\nEmission spatial allocation surrogates are required for generating anthropogenic emissions by SMOKE to\r\nspatially allocate county-based emission inventories to model grid cells. Emission surrogates can be based\r\non population, roads, airports, railroads, and land use spatial data sets. The [Surrogate Tool](https://github.com/CEMPD/SurrogateToolsDB) can be used for to generate spatial surrogates for SMOKE.\r\n\r\n**Regional masks** are used to specify regions such as states, counties, or countries within a gridded spatial domain. These regions are applied to regionally scale emissions as specified in section B.3.4 of the [DESID Appendix](CMAQ_UG_appendixB_emissions_control.md) and to track emissions by region in [ISAM](../Users_Guide/CMAQ_UG_ch11_ISAM.md) Masks can be created from a geospatial file of regions, such as county shapefile, with the [shp2cmaq][link_C.4] tool.\r\n\r\n**Biogenic emissions** requires land use input including coverage of different tree species. The Biogenic Emissions Landcover Dataset version 5 (BELD5) consists of 257 different landuse types at 1km horizontal resolution that covers all the contiguous United States, Mexico, most of Canada, parts of southern Alaska, and other Caribbean and\r\nCentral American countries. BELDv5 data is available from the 2017 emissions modeling platform ftp site: [https://gaftp.epa.gov/Air/emismod/2017/biogenics/](https://gaftp.epa.gov/Air/emismod/2017/biogenics/). For more information on BELD5 landuse types see:\r\n[https://www.cmascenter.org/smoke/documentation/4.8/html/ch08s09.html#sect_input_source_beld5](https://www.cmascenter.org/smoke/documentation/4.8/html/ch08s09.html#sect_input_source_beld5)\r\nand see the EPA 2017 NEI Technical Support Documentation (section 4.6): [https://www.epa.gov/sites/production/files/2020-04/documents/nei2017_tsd_full_30apr2020.pdf](https://www.epa.gov/sites/production/files/2020-04/documents/nei2017_tsd_full_30apr2020.pdf). To aggregate the BELD5 to a coarser modeling domain with the same map projection use the SMOKE Utility Tool called AGGWNDW. The SMOKE User’s Manual has information on this tool here:\r\n[https://www.cmascenter.org/smoke/documentation/4.8/html/ch05s03s02.html](https://www.cmascenter.org/smoke/documentation/4.8/html/ch05s03s02.html).\r\n\r\n**Sea spray emissions** require open ocean and surf zone (50m) buffer fractions for the modeling grid\r\n cells in an I/O API file. For most of North American domain, a SA Vector allocation tool can be used\r\n to generate the surf zone and open ocean file from a polygon shapefile with land, surf zone buffer,\r\n and open ocean in SA data directory. For areas outside U.S., users have to generate a surf zone polygon\r\n shapefile with has the same attribute as the file in the SA to use the tool. See the [CMAQ Tutorial on creating an ocean file](../Tutorials/CMAQ_UG_tutorial_oceanfile.md) for step by step instructions on creating this CMAQ input file. [Chapter 6](../CMAQ_UG_ch06_model_configuration_options.md#sea-spray) has additional information on sea spray module in CMAQ.\r\n \r\n**DMS and halocarbon emissions** are calculated in-line and require the presence of DMS and CHLO in the ocean file. \r\n A Python note book can be used to add DMS and CHLO to an existing ocean file. See the [CMAQ Tutorial on creating an ocean file](Appendix/CMAQ_UG_tutorial_oceanfile.md) for step by step instructions on creating an ocean file and for adding DMS and CHLO to the ocean file. \r\n \r\n**NH3 emissions** from agricultural lands can be estimated using the CMAQ bi-directional NH3 model. The\r\ninput for the CMAQ bi-directional NH3 model is generated by the Fertilizer Emission Scenario Tool for\r\nCMAQ (FEST-C) system. FEST-C contains three main components: Java interface, Environmental Policy\r\nIntegrated Climate (EPIC) model, and SA Raster Tools. The interface guides users through generating\r\nrequired land user and crop data and EPIC input files and simulating EPIC, and extracting EPIC output\r\nfor CMAQ. The generated BELD4 land use data by FEST-C needs to be converted into an I/O API format\r\nusing a utility program in FEST-C for CMAQ input. Note that the BELD4 data used for FEST-C is generated by the 2nd approach described above in Biogenic emission generation approaches. \r\n\r\n- [Fertilizer Emission Scenario Tool for CMAQ (FEST-C)](https://www.cmascenter.org/fest-c/) \r\n- FEST-C reference: Ran, L., Yuan, Y., Cooter, E., Benson, V., Yang, D., Pleim, J., Wang, R. and Williams, J. (2019). An integrated agriculture, atmosphere, and hydrology modeling system for ecosystem assessments. Journal of Advances in Modeling Earth Systems, 11(12), 4645-4668. DOI: [https://doi.org/10.1029/2019MS001708](https://doi.org/10.1029/2019MS001708)\r\n\r\n**Land use and land cover data for surface flux modeling** in meteorology and air quality can be\r\ngenerated using WPS or the SA Raster Tools. It is important to use consistent land use data in both\r\nmeteorology and air quality modeling. For the U.S., WPS contains re-gridded 9-arc\r\nsecond (around 250 m resolution) 2011 NLCD land cover, imperviousness, and canopy data while 2011 MODIS\r\nland cover is used for areas outside the U.S. In addition, users can use the land use re-gridding tool in the\r\nSA Raster Tools system to generate land cover data for any domain directly using NLCD (at 30 m resolution)\r\nor/and MODIS land cover data (at 1 km or 500 m resolution). Users can use a provided R utility in SA to\r\nupdate their geogrid land cover data using the more accurate land cover data generating using SA.\r\n\r\n\r\n\r\n[<< Previous Appendix](CMAQ_UG_appendixB_emissions_control.md) - [Home](../README.md) - [Next Appendix >>](CMAQ_UG_appendixD_parallel_implementation.md)
\r\nCMAQv5.5 User's Guide
\r\n\r\n\r\n\r\n\r\n\r\n[link_C.4]: ../../../PYTOOLS/shp2cmaq/\r\n\r\n\r\n\r\n[link_C.4]: https://github.com/USEPA/CMAQ/blob/main/PYTOOLS/shp2cmaq/ \r\n" }, { "path": "DOCS/Users_Guide/Appendix/CMAQ_UG_appendixD_parallel_implementation.md", "content": "\r\n\r\n[<< Previous Appendix](CMAQ_UG_appendixC_spatial_data.md) - [Home](../README.md) - [Next Appendix >>](CMAQ_UG_appendixE_configuring_WRF.md)\r\n\r\n\r\n\r\n\r\n# Appendix D: Parallel Implementation of CMAQ\r\n\r\n## D.1 General Structure of data\r\n\r\nThere are a few approaches to parallelize an application, such as data-parallelism. Data-parallelism is a paradigm which decomposes data into \"equal\" sections and distributes them among allocated processors. Each processor works on the portion it owns. CMAQ parallel implementation is based on this methodology.\r\n\r\nThe CMAQ model operates on a 4D space (ncols, nrows, nlays, nspcs) and only the spatial domain is decomposed. When NPROCS processors are used to run CMAQ, NPCOL number of processors are assigned to the column dimension and NPROCS/NPCOL processors are assigned to the row dimension (NPROCS = NPCOL x NPROW). In the case that the column dimension is not divisible by NPCOL, the remainder is distributed equally to NPCOL processors. The same approach is applied to the row dimension. For example (illustrated in Figure D-1), given a 100 by 75 (column x row) data grid and six processors with three processors along the column dimension and two processors along the row dimension, the following subdomain sizes (NCOLS x NROWS) are assigned to each processor: 34 x 38 (processor 0), 33 x 38 (processors 1 and 2), 34 x 37 (processor 3), and 33 x 37 (processors 4 and 5).\r\n\r\n![Figure D-1](../images/FigureD-1.png)\r\n\r\n**Figure D-1. Domain decomposition illustration**\r\n\r\n## D.2 Interprocessor Communication\r\n\r\nIn some science processes such as advection, a processor requires data from neighboring processors (interprocessor communication) when the model runs on a distributed memory system. An interprocessor communication library, STENEX, was developed to provide a simple and robust interface to handle various kinds of near neighbor communication. Near neighbor is defined as processors which are adjacent to a given processor (blue block) in the eight major geographical directions: N, NE, E, SE. S, SW, W, and NW (Fig. D-2).\r\n\r\n![Figure D-2](../images/FigureD-2.png)\r\n\r\n**Figure D-2. A depiction of near neighbor processors**\r\n\r\nAs an illustration of interprocessor data access (Fig. D-3), consider the following piece of code being executed on Processor 2 with a 2x2, 4-processor domain decomposition. It is clear that the calculation at the grid cell denoted by \"X\" requires data denoted by red dots which reside in near neighbor processors 0 and 3.\r\n\r\n DIMENSION DATA( NCOLS, NROWS )
\r\n\r\n DO J = 1, NROWS
\r\n DO I = 1, NCOLS
\r\n DATA(I,J) = A(I+2,J) * A(I, J-1)
\r\n END DO
\r\n END DO\r\n\r\n ![Figure D-3](../images/FigureD-3.png)\r\n\r\n **Figure D-3. An example to show interprocessor data access is needed**\r\n\r\n To facilitate interprocessor communication as shown in the example above, \"ghost\" regions are used (extra space in the data structure), i.e. DIMENSION DATA (NCOLS+2, NROWS+1). The thickness of the ghost region depends of the amount of overlap that is required by the algorithm.\r\n\r\n The Stencil Exchange (SE) Library is designed in Fortran 90 using Object Oriented-base technology to handle various types of communication with the objective of hiding the management of the low-level data movement. SE addresses four types of communication and a brief description of each type is provided below.\r\n\r\n * interior to ghost region, which is indicated in light blue in Figure D-4. This particular type of communication is being used in various places such as HADV and HDIFF.\r\n\r\n![Figure D-4](../images/FigureD-4.png)\r\n\r\n**Figure D-4. Interior to ghost region communication**\r\n\r\n* sub-section data redistribution (Fig. D-5). This particular type of communication is being used in Process Analysis.\r\n\r\n![Figure D-5](../images/FigureD-5.png)\r\n\r\n**Figure D-5. Sub-section data redistribution communication**\r\n\r\n\r\n## D.3 Parallel I/O\r\n\r\nAll I/O operations in CMAQ are handled by the I/O API library. Furthermore, the I/O API library was designed for serial code. As a result, CMAQ cannot utilize any I/O functions contained in the in I/O API library (such as READ3 and WRITE3) directly in any parallel computing platform. \r\n\r\nCMAQv4.7.1 and later releases include a directory called 'PARIO' which was developed to bridge this gap. PARIO contains a smaller set of functions which are counterparts to equivalent functions in IOAPI but capable to run in parallel. The following I/O API routines have PARIO equivalents: READ3, INTERP3, WRITE3, CHECK3, OPEN3, CLOSE3, DESC3, M3ERR, M3EXIT, M3WARN. Each file name in the PARIO library has a \"P\" prefix to distinguish it from its counterpart in the I/O API library, e.g. POPEN3 and PINTERP3. Substitution with the PARIO subroutines is done at compilation through CPP flags. Note that the subroutine argument lists in any PARIO routine are identical to those in the I/O API counterpart routine.\r\n\r\nOn the output side, all processors are required to send their portion of data to processor 0, which will stitch together each sub-part and then output it to the file (Fig. D-8). This is considered a “pseudo” parallel I/O approach and this approach is being using in PARIO.\r\n\r\n![Figure D-8](../images/FigureD-8.png)\r\n\r\n**Figure D-8. Combine all sub-domain data from each processor in an I/O processor**\r\n\r\nIn CMAQv5.2 and later versions, we have developed a true parallel I/O approach, referred to as PIO (Wong et. al.). PIO allows each processor to write their portion to the output file simultaneously (Fig. D-9).\r\n\r\n![Figure D-9](../images/FigureD-9.png)\r\n\r\n**Figure D-9. True parallel I/O approach**\r\n\r\nTo invoke this feature users have to re-build CMAQ after building additional libraries not used with CMAQ traditionally as well as retaining the traditional libraries with the exception of the non-\"mpi\" IOAPI library downloaded in [Chapter 3](../CMAQ_UG_ch03_preparing_compute_environment.md). The additional libraries required by invoking this option include the PnetCDF library and the \"mpi\" version of the IOAPI library. It also requires installation of parallel file system, e.g. Lustre or BeeGFS, with sufficient I/O hardware such as disk drive and I/O sub-system to support parallel file system software.\r\n\r\n**PnetCDF library**\r\n\r\nThe PnetCDF library is the parallel I/O implementation to complement the classic netCDF library. The PnetCDF library is available for download at https://parallel-netcdf.github.io/ users should find and follow the instructions for proper installation given on the website. Users should install a stand alone PnetCDF library using MPI Fortran 90 and C compilers. After successful installation, check the environment PATH & LD_LIBRARY_PATH to ensure that the paths have been updated to include the path of the PnetCDF libraries and bin. Note that users may have to set these paths manually if not set, and that these paths must be loaded every time a new shell is started. Note: users should not re-build their netCDF library at this point, within CMAQ the classic netCDF library and PnetCDF library interact as two stand alone libraries. \r\n\r\n**IOAPI library**\r\n\r\nThe I/O API library provides an interface between the netCDF libraries and CMAQ to handle input and output (I/O) calls throughout the CMAQ code. The latest version of the IOAPI library (version 3.2) is available for download at https://www.cmascenter.org/download/software/ioapi/ioapi_3-2.cfm?DB=TRUE **Version Supported: IOAPI 3.2 tagged 20200828**\r\n\r\nThe general steps for installation of IOAPI libraries on a Linux system (with C-shell and GNU compilers) are below. These instructions are an example and we recommend using the latest release available at the time of your CMAQ installation.\r\n\r\nThis approach also requires installation of \"mpi\" I/O API libraries as shown below (note these steps should be followed after completing the steps in Chapter 3 section 3.2.3): \r\n\r\n```\r\nsetenv BIN Linux2_x86_64gfortmpi\r\n```\r\n\r\nEdit the file in the ioapi folder called Makeinclude.Linux2_x86_64gfortmpi to comment out all openMP options as CMAQ does not support openMP. Note: If users are using the ifort compiler you also need to remove -Bstatic flag within the ioapi/Makeinclude.Linux2_x86_64ifortmpi file as well.\r\n\r\n```\r\nOMPFLAGS = # -fopenmp \r\nOMPLIBS = # -fopenmp\r\n```\r\n\r\nIn the top level IOAPI_3.2 directory run: \r\n```\r\nmake configure\r\nmake\r\n```\r\n\r\nAfter building the reqiured libraries, users must build CCTM. Before compilation of CCTM, users must turn on this feature by uncommenting the following line in bldit_cctm.csh at the model build step and link with I/O API 3.2.\r\n\r\n```\r\n#set MakefileOnly #> uncomment to build a Makefile, but do not compile;\r\n#set build_parallel_io #> uncomment to build with parallel I/O (pnetcdf);\r\n```\r\n\r\nAfter building the BLD directory (where the Makefile lives), change to this directory and edit the Makefile to include PNETCDF and the correct I/O API BIN before compiling the code. An example of these edits are shown below: \r\n\r\n```\r\nLIB = /home/CMAQ_PIO/CMAQ_libs\r\ninclude_path = -I /home/CMAQ_PIO/CMAQ_libs/ioapi_3.2/Linux2_x86_64ifortmpi \\\r\n -I /home/CMAQ_PIO/CMAQ_libs/ioapi_3.2/ioapi/fixed_src \\\r\n -I $(LIB)/mpi/include -I.\r\n\r\n IOAPI = -L/home/CMAQ_PIO/CMAQ_libs/ioapi_3.2/Linux2_x86_64ifortmpi -lioapi\r\n NETCDF = -L$(LIB)/netcdf/lib -lnetcdf -lnetcdff\r\n PNETCDF = -L$(LIB)/pnetcdf/lib -lpnetcdf\r\n LIBRARIES = $(IOAPI) $(NETCDF) $(PNETCDF)\r\n```\r\n \r\nLastly, users must also edit the CCTM run script by inserting MPI: in front of the output file path as shown below:\r\n\r\n setenv CTM_CONC_1 \"MPI:\\$OUTDIR/CCTM_CONC_\\${CTM_APPL}.nc -v\" #> On-Hour Concentrations\r\n \r\nFor further directions on installation of PIO or if you encounter difficulties using the PIO feature, please contact David Wong at wong.david-c@epa.gov\r\n\r\n## D.4 Reference:\r\n\r\nWong, D.C., Yang, C.E., Fu, J.S., Wong, K., & Gao, Y. (2015). An approach to enhance pnetCDF performance in environmental modeling applications. Geosci. Model Dev., 8, 1033-1046.\r\n\r\n\r\n\r\n[<< Previous Appendix](CMAQ_UG_appendixC_spatial_data.md) - [Home](../README.md) - [Next Appendix >>](CMAQ_UG_appendixE_configuring_WRF.md)
\r\nCMAQv5.5 User's Guide
\r\n\r\n\r\n" }, { "path": "DOCS/Users_Guide/Appendix/CMAQ_UG_appendixE_configuring_WRF.md", "content": "\n\n[<< Previous Appendix](CMAQ_UG_appendixD_parallel_implementation.md) - [Home](../README.md) - [Next Appendix >>](CMAQ_UG_appendixF_elmo_output.md)\n\n\n\n# Appendix E: Configuring the Weather Research and Forecasting Model (WRF) for Use with Air Quality Models \n\n## E.1 WRF for CMAQ & Output\n\n* **[WRF configuration guide for CMAQ applications][link_E_pdf]**\n* CMAQ is best connected to WRF that uses the P-X LSM with key variables in the output (see WRF configuration guide above).\n* Variable names: RS, RA, ZNT_PX, VEGF_PX, LAI_PX, LANDUSEF, WFC_PX, WSAT_PX, WWLT_PX, CSAND_PX, FMSAND_PX, CLAY_PX\n* Method 1: Compiled into executable with directives in the Registry file.\n* Method 2: At run-time using a simple text file and namelist option.\n\n\n## E.2 WRF version 4.6\n\n* UPDATE: P-X LSM compatible with 61 class MODIS Local Climate Zone (LCZ) landuse option\n* UPDATE: Latent heat effect on ground temperature from the vegetated fraction of the grid cell and from wet canopy was added to P-X LSM.\n* UPDATE: NaN fix from a divide by zero because of a zero-value soil parameter when a water cell turns to sea ice.\n\n## E.3 WRF version 4.3+\n\n* UPDATE: Modified the ACM2 PBL height algorithm for stable conditions so that the Richardson number is computed using windspeed\nin layer k rather than wind speed difference between layer k and ksrc.\n* UPDATE: Added new pathway for evaporation from the ground in the vegetated fraction of the grid cell in P-X LSM module.\n* UPDATE: Consolidated WRF P-X LSM code with MPAS versions. The P-X LSM code in WRFv4.3 is the exact same code as that for MPASv7.2+\n\n\n## E.4 WRF version 4.0\n\n* WRF4.0 has updates to the ACM2 PBL model to account for the new default hybrid coordinate system. Our internal model runs suggest that the hybrid option (hybrid_opt =2) improves the model in areas where topographical variations are more extreme like the Rocky Mountains. As such, it is suggested, but not a requirement, to use this option in WRF that became the default in WRF4.0.\n\n* UPDATE: Added vegetation and leaf-area index option for Pleim-Xiu land-surface runs. Until this version, the P-X LSM uses VEGFRA and LAI computed from the module_sf_pxlsm_data.F PX data table. This uses fractional landuse and these lookup values to compute the LAI and VEGFRA for each grid cell. The new option (pxlsm_modis_veg = 1) is activated using this option in the physics section of the namelist.input file. It uses the time-varying VEGFRA and LAI from the wrflowinp_d01 file instead of the look-up values in the P-X data table. This allows use of more accurate high resolution MODIS that is now available in WPS in WRFv4+. Alternatively, users can process their own MODIS data for specific years and put in this same input file.\n* UPDATE: Also, the soil calculation in the P-X LSM were modified to use analytical functions from Noilhan and Mahfouf (1996) for field capacity, saturation and wilting point based on fractional soil data. Also, variables for fractional clay, fine and coarse sand were added in P-X for output to the CMAQ air quality model. This is an important update because these data are used for dust emissions in the air quality model along with the new soil properties (wilting, saturation and field capacity). SOILTYP was also updated in P-X LSM so soil classes are consistent with the standard 16 soil types in the WRF system. Prior, P-X only had 12 classes and classes 4-12 were not the same as those classes used by other LSMs.\n\n\n## E.5 WRF version 3.7 \n* **[Section from WRFv3.7 Technical Documentation related to air quality modeling](http://www2.mmm.ucar.edu/wrf/users/docs/PX-ACM.pdf):** This 8 page pdf provides description and procedures for using the Pleim-Xiu LSM, ACM2 PBL and Pleim Surface Layer Scheme in WRF including best practices and namelist options.\n\n\n## E.6 Reference:\n\nNoilhan, J., & Mahfouf, J. F. (1996). The ISBA land surface parameterization scheme. Global and planetary Change, 13(1-4), 145-159.\n\nNoilan, J., and S. Planton, 1989: A simple parameterization of land surface processes for meteorological models. Mon. Wea. Rev., 117, 536-549.\n\nPleim, J. E., and A. Xiu, 1995: Development and testing of a surface flux and planetary boundary layer model for application in mesoscale models. J. Appl. Meteor., 34, 16-32.\n\nXiu, Aijun, and J. E. Pleim, 2001: Development of a Land Surface Model. Part I: Application in a Mesoscale Meteorological Model. J. Appl. Meteor., 40, 192–209. \n\nPleim, J. E., and A. Xiu, 2003: Development of a land surface model. Part II: Data assimilation. J. Appl. Meteor., 42, 1811-1822.\n\nPleim, J. E., 2006: A simple, efficient solution of flux-profile relationships in the atmospheric surface layer, J. Appl. Meteor. and Clim., 45, 341–347.\n\nPleim, Jonathan E., 2007: A Combined Local and Nonlocal Closure Model for the Atmospheric Boundary Layer. Part I: Model Description and Testing. J. Appl. Meteor. Climatol.,46, 1383–1395.\n\nPleim, J. E., and R. Gilliam, 2009: An indirect data assimilation scheme for deep soil temperature in the Pleim-Xiu land surface model. J. Appl. Meteor. Climatol., 48, 1362-1376.\n\nGilliam, R. C., and J. E. Pleim, 2010: Performance assessment of new land-surface and planetary boundary layer physics in the WRF-ARW. J. App. Meteor. Climatol., 49(4), 760-774.\n\nHeath, N. K., J. E. Pleim, R. C. Gilliam, & D. Kang (2016). A simple lightning assimilation technique for improving retrospective WRF simulations, J. Adv. Model. Earth Syst., 8, 1806 – 1824, http://dx.doi.org/10.1002/2016MS000735.\n\nGilliam, R. C., Herwehe, J. A., Bullock, Jr, O. R., Pleim, J. E., Ran, L., Campbell, P. C., & Foroutan, H. (2021). Establishing the suitability of the model for prediction across scales for global retrospective air quality modeling. Journal of Geophysical Research: Atmospheres, 126, e2020JD033588. https://doi.org/10.1029/2020JD033588\n\nKang, D., H. K. Heath, R. C. Gilliam, T. L. Spero, and J. E. Pleim (2022), Lightning assimilation in the WRF model (Version 4.1. 1): technique updates and assessment of the applications from regional to hemispheric scales, Geosci. Model Dev., 15, 8561–8579, https://doi.org/10.5194/gmd-15-8561-2022, 2022.\n\n\n\n\n\n[<< Previous Appendix](CMAQ_UG_appendixD_parallel_implementation.md) - [Home](../README.md) - [Next Appendix >>](CMAQ_UG_appendixF_elmo_output.md)
\nCMAQv5.5 User's Guide
\n\n\n\n\n\n[link_E_pdf]: ../PDF/PX-ACM-WRFV4.6-MPAS.pdf\n\n \n\n[link_E_pdf]: https://github.com/USEPA/CMAQ/blob/main/DOCS/Users_Guide/PDF/PX-ACM-WRFV4.6-MPAS.pdf \n" }, { "path": "DOCS/Users_Guide/Appendix/CMAQ_UG_appendixF_elmo_output.md", "content": "\r\n\r\n[<< Previous Appendix](CMAQ_UG_appendixE_configuring_WRF.md) - [Home](../README.md) \r\n\r\n\r\n\r\n* * *\r\n\r\n# Appendix F: Explicit and Lumped Model Output (ELMO) \r\nThe ELMO module makes aerosol diagnostic parameters as well as aggregated and highly processed aerosol metrics available directly in CMAQ output files rather than requiring follow-up post-processing steps. \r\n\r\n### F.1 Output concentration and diagnostic variables\r\nThe ELMO Module streamlines the definition, calculation, and maintenance of gas and particulate concentrations, as well as over 200 aggregate and diagnostic variables, listed in Fig. 1. \r\nWith ELMO, aggregate and diagnostic variables are registered in the [ELMO_DATA.F][link_F_Data], their calculations are prescribed in [ELMO_PROC.F][link_F_Proc], and CMAQ calculates them online. \r\nThus, CMAQ can output higher-level parameters without needing to run any particular post-processing tool. \r\nAs a result, users may choose to limit their output to just the variables they are most interested in (perhaps just O3 and PM2.5, for example). Or they may elect to output a more complex selection of scalar and aggregate variables. \r\nPost-processing is still needed to concatenate days of output together onto monthly, seasonal, or annual files. \r\n\r\n ![Figure F-1](../images/FigureF-1.png)\r\n**Figure F-1. Comprehensive list of diagnostic and aggregate variables currently available in ELMO. The table headings are just for presentation. They are not equivalent to ELMO Keywords, which are discussed in section F.4**\r\n\r\n\r\nConcentrations of scalar variables like NO, NO2, O3, ASO4J, and others are available for output to ELMO files as well. An aggregate variable for total VOC has not been provided for CMAQv5.4 or v5.5 because differences among chemical mechanisms are so significant. This capabality will be added in a future CMAQ version.\r\n\r\n### F.2 Relationship to previous CMAQ versions\r\nPreviously, aggregate parameters like PM2.5 and Fine-mode Sulfate (ASO4I + ASO4J) were calculated offline through the COMBINE post-processing utility and documented via the species definition (SpecDef) input file for COMBINE, as depcited in Fig. F-2. \r\nCMAQ versions 5.4 and later, maintain the CONC and ACONC files - they are available for use identically to CMAQv5.3.3. However, PMDIAG and APMDIAG files have been eliminated. \r\n\r\nIf a user would like to continue using the COMBINE workflow to aggregate PM variables, they may output necessary variables like FPM25ACC to ELMO files and use those with CONC output. \r\nAlternatively, a user may elect to rely exclusively on ELMO output files alone and set the CONC_SPCS and AVG_CONC_SPCS variables in the CMAQ runscript to just one variable (e.g. O3) to minimize their I/O time and storage space footprint. \r\n\r\n ![Figure F-2](../images/FigureF-2b.png) \r\n**Figure F-2. Schematic of data workflow in v5.3 and v5.4 with ELMO. (Note that v5.5 workflow is idential to v5.4.)**\r\n\r\nThere are several distinct advantages to using ELMO over post-processing CONC and ACONC output with COMBINE:\r\n\r\n- Definitions of products like PM25 mass, PMF (Fine PM mass), and PM10 mass automatically adjust as PM species are activated or deactivated by CMAQ users or chemical mechanisms are switched. There is no need to modify a SpecDef file to account for a new or eliminated species. \r\n - Note that some of the diagnostic species defined in FINE_ORG, specifically those meant to provide an approximate distinction between primary and secondary or anthropogenic and biogenic organic aerosols, should generally only be used in a qualitative manner. \r\nA number of emitted compounds forming organic aerosols in the atmosphere can have both anthropogenic and biogenic sources so a quantitative attribution of organic aerosols to specific sources cannot be based on an analysis of concentrations alone and should use ISAM instead. \r\nMoreover, their interpretation may not be consistent across mechanisms (e.g. cb6r5_aero7 vs. cracmm1) depending on the assumptions made during emissions processing and the mapping of emitted species to CMAQ mechanism species in DESID.\r\n\r\n- Complex properties like O:C, OM:OC, particle acidity, etc. can be calculated using species properties available within CMAQ. \r\nThis resolves a potential vulnerability where, for example, the OM:OC of organic species may become out of sync between the SpecDef and the SOA_DEFN table within the model. This could have potentially led to errors in the calculation of OC (organic carbon). With ELMO, there is no such risk. \r\n\r\n- If a user is only interested in aggregate parameters like PM25 mass, they can avoid the I/O time and storage required saving the raw output of every PM variable and then post-processing with COMBINE. This can be particularly helpful when processing 3D data.\r\n\r\n- New parameters are available that were not before like N10, N20, N40 and N100, the number of particles above 10, 20, 40 and 100 nm in diameter. AOD and extinction at 550 nm have also been supported as options; these were previously only available on the photolysis diagnostic file. \r\n\r\n- Keywords are available (see section F.4) to select groups of variables of interest. \r\n\r\n- Variables may be added to the ELMO_LIST table in ELMO_DATA.F and then prescribed in ELMO_PROC.F with greater ease.\r\n \r\nELMO has no significant quantitative impact on results, but there will be a noticeable positive impact on the time invested in post-processing aggregate PM components and storage volumes required for standard runs. \r\nThere can be some slight numerical differences realized when one compares quantities averaged directly online with ELMO vs. calculated offline using averages. \r\nFor example, total PM2.5 have some small deviations when it is calculated as the hourly average of the sum of species (online) versus the sum of hourly averaged species (offline).\r\n\r\n\r\n### F.3 Prescribing features of ELMO output files\r\nThe interface for prescribing ELMO file properties is located in the [CMAQ Miscellaneous Control File](../CMAQ_UG_ch04_model_inputs.md#miscctrl). The following lines activate or deactivate instantaneous (CCTM_ELMO) and average (CCTM_AELMO) files, respectively:\r\n```\r\n&elmo_activate\r\n instant = .FALSE.\r\n average = .TRUE.\r\n/\r\n```\r\nThe layers to output for the instantaneous ELMO file can be modified with the Inst_Layer_Top and Inst_Layer_Bot variables:\r\n```\r\n&elmo_inst\r\n Inst_Layer_Top = 1\r\n Inst_Layer_Bot = 1\r\n Inst_Vars_Nml = 'DEFAULT' (See section G.4)\r\n/\r\n```\r\nLikewise, the average ELMO file output layers are set in the elmo_avrg variable section:\r\n```\r\n&elmo_avrg\r\n Avrg_Layer_Top = 1\r\n Avrg_Layer_Bot = 1\r\n Avrg_Vars_Nml = 'DEFAULT' (See section G.4)\r\n/\r\n```\r\nInst_Layer_Top and Avrg_Layer_Top may not exceed the total number of model layers. \r\n\r\nIt is recommended to output all model layers if you are outputting variables for comparison to satellite column data like NO2. Aerosol Optical Depth (AOD_550) may be output as a surface (i.e. just layer 1) or for multiple layers (layer-dependent extinction multiplied by layer thickness). \r\nWhen 2D variables are output on a 3D ELMO file, ELMO will put real data in layer 1, and I/O-API missing values above layer 1. \r\n\r\n\r\n### F.4 Selecting ELMO output variables\r\nAll CMAQ scalar variables and all variables in Fig. F-1 are available for output on ELMO files. \r\nThe [CMAQ Miscellaneous Control File](../CMAQ_UG_ch04_model_inputs.md#miscctrl) variables Inst_Vars_Nml and Avrg_Vars_Nml (shown in section F.3) control the variables output to the instantaneous and average ELMO files, respectively. \r\nUp to 1000 strings may be specified here. \r\nTo avoid relying on intimidatingly long lists of variable names, ELMO uses Keywords that expand to groups of variables (often particularly meaningful or useful ones). \r\nIn this way, ELMO improves transparency and reduces the risk of needing to rerun simulations to produce mistakenly omitted variables. \r\nThe ELMO Keyword \"DEFAULT\" loads all scalar and aggregate variables that would have been generated by using the default COMBINE approach for CMAQv5.3.3 and previous. \r\nThis and other ELMO keywords are defined in Table F-1. \r\n\r\n**Table F-1. Map of all ELMO Keywords to CMAQ species, ELMO variables, or other Keywords. \r\n\r\n|**ELMO Keyword** |Variables and/or **Keywords**| \r\n|------------------|----------------------------------|\r\n| **DEFAULT** | **AMET**, **CUTOFF_FRACTIONS**, **MASS**, PM_NUM, PMF_NUM, PMC_NUM, **MET**, **CHEM**, **FINE_SPECIES**, **COARSE_SPECIES**, **PM25_SPECIES**, **SIZE**, **AMS**, **PM25TO10_SPECIES** | \r\n| **AMET** | PMF_MASS, PMF_FRM, PMC_MASS, PMF_OC, PMF_EC, PMF_NA, PMF_CL, PMF_SO4, PMF_NO3, PMF_NH4, PM25, PM25_FRM, PM25_SO4, PM25_NO3, PM25_NH4, PM25_OC, PM25_EC, PMF_FE, PMF_AL, PMF_SI, PMF_TI, PMF_CA, PMF_MG, PMF_K, PMF_MN, PMF_SOILIMPV, PMF_UN_IMPV1, PMF_NCOM, PMF_UN_IMPV2, TNO3, PM_MASS, PMC_MASS, **MET**, Tsurf, AOD_550 | \r\n| **MASS** | PMF_MASS, PMC_MASS, PM01, PM1, PM25, PM10, PM25TO10, PMU_MASS, PMAMS, PMAIT_MASS, PMACC_MASS | \r\n| **NUMBER** | PM_NUM, PMF_NUM, PMC_NUM, N10, N20, N40, N100 | \r\n| **SIZE** | **NUMBER**, DRY_DG#, WET_DG, STDEV, DRY_M3, WET_M3, WET_M2, DRY_DENS, WET_DENS | \r\n| **SURFACE** | PM_SRF, PMU_SRF, PMF_SRF, PMC_SRF, WET_M2 | \r\n| **ORGANIC** | **FINE_ORG**, PM1_OC, PM1_OA, PMAMS_OA, PMAMS_OTOC, PM25_OA | \r\n| **MET** | TA, PRES, RH | \r\n| **CHEM** | GAMMA_N2O5, GAMMA_N2O5K, YIELD_CLNO2, YIELD_CLNO2K, GAMMA_IEPOX, K_IEPOX, GAMMA_IMAE | \r\n| **FINE_SPECIES** | PMF_SO4, PMF_NO3, PMF_NH4, PMF_CL, PMF_NA, PMF_EC, PMF_OC, PMF_OA, PMF_H2O, PMF_SOILIMPV, PMF_UN_IMPV1, PMF_UN_IMPV2, PMF_HP, PMF_HPMOLAL, PMF_PH, **FINE_ORG**, PMF_MASS | \r\n| **COARSE_SPECIES** | PMC_MASS, PMC_SO4, PMC_NO3, PMC_NH4, PMC_NA, PMC_MG, PMC_K, PMC_CA | \r\n| **AMS_SPECIES** | PMAMS, PMAMS_SO4, PMAMS_NO3, PMAMS_NH4, PMAMS_CL, PMAMS_OA, PMAMS_OTOC | \r\n| **PM1_SPECIES** | PM1, PM1_SO4, PM1_NO3, PM1_NH4, PM1_CL, PM1_NA, PM1_EC, PM1_OC, PM1_OA, PM1_MG, PM1_K, PM1_CA, PM1_OTHER, PM1_FE, PM1_SI, PM1_TI, PM1_MN, PM1_AL, PM1_SOIL, PM1_UNSP1, PM1_UNSPCRS | \r\n| **PM25_SPECIES** | PM25, PM25_SO4, PM25_No3, PM25_NH4, PM25_CL, PM25_NA, PM25_EC, PM25_OC, PM25_OA, PM25_MG, PM25_K, PM25_CA, PM25_OTHER, PM25_FE, PM25_SI, PM25_TI, PM25_MN, PM25_AL, PM25_SOIL, PM25_UNSP1, PM25_UNSPCRS, PM25_HP | \r\n| **PM25TO10_SPECIES** | PM25TO10, PM25TO10_SO4, PM25TO10_NO3, PM25TO10_NH4, PM25TO10_CL, PM25TO10_NA | \r\n| **OPTICAL** | AOD_550, PM_EXT_550 | \r\n| **FINE_ORG** | PMF_POC, PMF_SOC, PMF_POA, PMF_SOA, PMF_NCOM, PMF_OMOC, PMF_OTOC, PMF_ASOA, PMF_BSOA, PMF_CLDGLY, PMF_ISOPSOA, PMF_IEPOXSOA, PMF_MTNSOA, PMF_MTSOA, PMF_OC, PMF_OA | \r\n| **CUTOFF_FRACTIONS** | FPM01, FPM1, FPM25, FPM10, FPM25TO10, FAMS | \r\n| **TOXICS** | PM25_HDIESEL, PM25_HBE, PM25_HCD, PM25_HCR3, PM25_HCR6, PM25_HCR, PM25_HPB, PM25_HMN, PM25_HNI, PM25_HAS, PM25_HG, PM10_HDIESEL, PM10_HBE, PM10_HCD, PM10_HCR3, PM10_HCR6, PM10_HCR, PM10_HPB, PM10_HMN, PM10_HNI, PM10_HAS, PM10_HG | \r\n| **SIMPLE** | PM25, PM10 | \r\n| **AMS** | PMAMS_CL, PMAMS_NH4, PMAMS_NO3, PMAMS_OA, PMAMS_SO4 | \r\n| **SAT** | **SATMET**, **SATCONC** | \r\n| **SATMET** | DENS, DZ, ZH, CFRAC, PV, PRES, TA | \r\n| **SATCONC** | NO2, SO2, O3, CO, FORM, NH3, AOD_550 | \r\n| **ALLCONC** | All CMAQ Internal Species | \r\n\r\n#As noted for red variables in Fig. F-1, several variables are populated for each aerosol mode including diameters, standard deviation, and density, etc.\r\n\r\nThe ELMO variables are defined in [ELMO_DATA.F][link_F_Data]. \r\nBefore ELMO maps output variables to internal model species or meteorological inputs, ELMO recursively expands all Keywords to their members and then filters out duplicates. There is no disadvantage to specifying a variable twice in the CMAQ Control namelist. \r\n\r\n\r\n### F.5 ELMO Implementation in CMAQ\r\nELMO works by putting all of the diagnostic parameters first on the ELMO_LIST table in ELMO_DATA.F. There is also a list of ID numbers (integers) above that table which allow for a comprehensive order to be preserved while the order of the parameters in the table and their calculations in ELMO_PROC.F are allowed to move in sequence. The subroutine LOAD_ELMO (ELMO_PROC.F) is called from DRIVER and cycles through the list of selected variables as defined by the interface in the CMAQ Miscellaneous Control file.\r\n\r\nFor each variable, the recursive subroutine CALC_ELMO is called to execute the calculation. For many of the calculations, all that is required is an assignment from an already existing diagnostic variable (e.g. RH, STDEV_ACC). \r\nFor the parameters which are linear combinations of CMAQ species or other parameters (e.g. fine-mode nitrate PMF_NO3 = ANO3I + ANO3J), they may be defined in the subroutine MAP_ELMO_COEFFS (in ELMO_PROC.F). \r\nFollow the example of existing variables to prescribe the species to be added, the inlet type to assume for collection, etc. New PM inlet types can be added via the ELMO_INLET table in ELMO_DATA.F. For more complicated variables like fine-mode acidity (PMF_PH) or the PM25 mass collected by a Federal Reference Method sampler (PM25_FRM), calculations appear directly in CALC_ELMO. For example, PMF_MASS is computed by referencing the information in AERO_DATA to identify all variables that are included in fine-mode particulates (excluding 'tracer' species, which by definition, don't contribute to the bulk particle mass in CMAQ). The following algorithm shows how the return variable, outval, is summed across all modes while neglecting aerosol inorganic and organic water.\r\n\r\n```\r\n DO IMODE = 1,N_MODE\r\n IF ( AEROMODE( IMODE )%FINE_MASK ) THEN\r\n OUTVAL = OUTVAL + SUM( AEROSPC_CONC( :,IMODE ),\r\n MASK=.NOT.AEROSPC(:)%TRACER) - AEROSPC_CONC( AH2O_IDX,IMODE )\r\n IF ( AORGH2O_IDX .GT. 0 ) OUTVAL = OUTVAL\r\n& - AEROSPC_CONC( AORGH2O_IDX,IMODE ) ! ug m-3\r\n END IF\r\n END DO\r\n```\r\n \r\n\r\n\r\n\r\n[<< Previous Appendix](CMAQ_UG_appendixE_configuring_WRF.md) - [Home](../README.md)
\r\nCMAQv5.5 User's Guide
\r\n\r\n\r\n\r\n \r\n\r\n[link_F_Data]: ../../../CCTM/src/driver/ELMO_DATA.F\r\n[link_F_Proc]: ../../../CCTM/src/driver/ELMO_PROC.F\r\n\r\n\r\n\r\n\r\n[link_F_Data]: https://github.com/USEPA/CMAQ/blob/main/CCTM/src/driver/ELMO_DATA.F\r\n[link_F_Proc]: https://github.com/USEPA/CMAQ/blob/main/CCTM/src/driver/ELMO_PROC.F\r\n" }, { "path": "DOCS/Users_Guide/Appendix/README.md", "content": "# User's Guide Appendix\n\n- [Appendix A](./CMAQ_UG_appendixA_model_options.md) : List of model options in configuration, compilation and run scripts\n- [Appendix B](./CMAQ_UG_appendixB_emissions_control.md) : How to use the Emissions Control Namelist for customization of emissions processing. \n- [Appendix C](./CMAQ_UG_appendixC_spatial_data.md) : Information on how to create consistent geospatial data for CMAQ inputs. \n- [Appendix D](./CMAQ_UG_appendixD_parallel_implementation.md) : An introduction to how data-parallelism can be applied in the CMAQ system to increase computational efficiency. \n- [Appendix E](./CMAQ_UG_appendixE_configuring_WRF.md) : Configuring the Weather Research and Forecasting Model (WRF) for use with CMAQ.\n- [Appendix F](./CMAQ_UG_appendixF_elmo_outputs.md) : Description of the Explicit and Lumped CMAQ Model Output Module \n" }, { "path": "DOCS/Users_Guide/CMAQ_UG_ch01_overview.md", "content": "\r\n\r\n\r\n[Home](README.md) - [Next Chapter >>](CMAQ_UG_ch02_program_structure.md)\r\n\r\n\r\n\r\n# 1. Overview\r\n\r\n## Disclaimer\r\n\r\nThe information in this operational guidance document has been funded wholly or in part by the United States Environmental Protection Agency (EPA). The draft version of this document has not been subjected to the Agency’s peer and administrative review, nor has it been approved for publication as an EPA document. The draft document has been subjected to review by the Community Modeling and Analysis System Center only; this content has not yet been approved by the EPA. Mention of trade names or commercial products does not constitute endorsement or recommendation for use.\r\n\r\n## 1.1 Introduction\r\n\r\nUnder the authority of the Clean Air Act, the U.S. Environmental Protection Agency (EPA) has established National Ambient Air Quality Standards (NAAQS). These standards are designed to protect human health and the environment from high levels of criteria pollutants, such as ozone and particulate matter. Meeting the NAAQS often requires the use of controls on sources of air pollutants. The complex nature of air pollution scenarios requires control strategies to be effective for a variety of air pollutants, geographic regions, and scales. The design of these control strategies is guided by comprehensive air pollution modeling systems which are applied to assess the ability of various control strategies to improve air quality in a cost-effective manner.\r\n\r\nBecause some emission sources contribute to the ambient levels of more than one pollutant and can affect an entire region on various time scales, an integrated modeling approach capable of handling multiple air pollutants and spatiotemporal scales is needed to identify cost-effective control strategies that improve overall air quality. The [EPA Community Multiscale Air Quality (CMAQ) modeling system](http://www.epa.gov/cmaq) was formulated and designed to facilitate extensions needed to examine emerging linked multi-pollutants air pollution issues. The source code for CMAQ is available through a publicly-accessible, version-controlled repository on [GitHub](www.github.com/usepa/cmaq) where interested parties may obtain the open-source software and contribute to enhancements of the model. CMAQ is designed for applications ranging from regulatory and policy analysis to probing and understanding the complex interactions of atmospheric chemistry and physics. It is a three\\-dimensional Eulerian (i.e., gridded) atmospheric chemistry and transport modeling system that simulates ozone, particulate matter (PM), toxic airborne pollutants, visibility, and acidic and nutrient pollutant species throughout the troposphere. Designed as a “one-atmosphere” model, CMAQ can address the complex couplings among several air quality issues simultaneously across spatial scales ranging from urban to hemispheric.\r\n\r\nAir quality models integrate our understandings of the complex processes that affect the concentrations of pollutants in the atmosphere. Establishing the relationships among meteorology, emissions of chemical species, chemical transformations, and removal processes in the context of atmospheric pollutants is the fundamental goal of an air quality model (Seinfeld and Pandis, 1998). CMAQ uses detailed mathematical representations of coupled atmospheric dynamical, chemical, and physical processes to describe the fate of airborne pollutants. The model is formulated to conserve mass in the 3-D atmosphere within the modeled domain. The resultant partial differential governing equations are numerically solved over a 3-D grid discretizing the geographic domain of interest. A model grid is an *x\\-y\\-z* array that is fixed in space and covers a prescribed domain (i.e., a geographic area of interest). CMAQ therefore belongs to the Eulerian class of mathematical models that calculate a mass balance over each discrete grid volume by accounting for transport across the boundaries of the grid volume and relevant source and sink terms within the grid volume over a given time period. As a mathematical framework for simulating the interactions of multiple complex atmospheric processes, CMAQ thus requires two primary types of inputs: meteorological information, and rates of emissions from a variety of anthropogenic and natural sources of primary pollutant species of interest or those that serve as precursors for formation of other pollutants of interest.\r\n\r\nWith weather conditions contributing the primary physical driving forces in the atmosphere (such as the changes in temperature, winds, cloud formation, and precipitation rates), representative gridded meteorology forms the basis of all 3\\-D air quality model simulations. The Weather Research and Forecasting (WRF) model \\- Advanced Research WRF (WRF\\-ARW) (Skamarock et al., 2005) is compatible with CMAQ in that both systems can be configured to use identical horizontal and vertical coordinate and grid structures and is commonly used to drive CMAQ. The meteorology inputs dictate the following CMAQ configuration parameters:\r\n\r\n- Horizontal grid coordinate system (e.g., latitude-longitude, Lambert Conformal)\r\n- Horizontal grid resolution (i.e., the size of the cells composing the grid)\r\n- Maximum spatial coverage (horizontal geographic extent, i.e., *the domain*) of the grid\r\n- Maximum vertical extends (model top) and vertical grid resolution\r\n- Temporal extent (the starting and ending dates and times, and the meteorology update frequency)\r\n\r\nTo obtain inputs on emissions, CMAQ relies on an emissions processor to estimate the magnitude, location, and temporal variability of pollution sources. Open\\-source processors such as the Sparse Matrix Operator Kernel Emissions ([SMOKE](https://www.cmascenter.org/smoke/)) processor (IE, 2008) are available for computing emissions inputs to CMAQ from emissions inventories. These emissions inputs must be specified on CMAQ's horizontal and vertical grid structure and cover at least the time period of the air quality model simulation. The emission inputs must also represent chemical species that conform with the gas and aerosol chemical mechanism employed in the CMAQ configuration; currently supported gas-phase mechanisms include recent versions of the Carbon Bond mechanism, the Statewide Air Pollution Research Center (SAPRC) mechanism, the Regional Atmospheric Chemistry Mechanism (RACM), and the Community Regional Atmospheric Chemistry Multiphase Mechanism (CRACMM). Additional details about the gas- and aerosol-phase chemistry in CMAQ are provided in [Chapter 6](CMAQ_UG_ch06_model_configuration_options.md).\r\n\r\n## 1.2 Features\r\n\r\nFrom inception, CMAQ was designed to facilitate community modeling. “Community modeling” is the concept that air quality model development should be a collective effort by a broad community of developers, thereby leveraging the cross-disciplinary expertise needed to keep the physical, numerical, and computational components of the modeling system at the state-of-the-science. By adopting a standardized modeling architecture, the air quality modeling community can focus its efforts on creating software enhancements and new science modules. CMAQ is designed to meet the needs of the multiple groups contained within the air quality modeling community: research and regulatory modelers, algorithm and science module developers, air quality forecasters, and planners and policy makers. While each of these groups has distinct individual requirements for CMAQ, they also share a common need for an efficient, transparent, and scientifically credible tool to simulate the air pollution phenomena. To address these individual and common needs, CMAQ development and maintenance have the following goals:\r\n\r\n1. *Scientific Integrity*. Ensure that the model remains state-of-the-science through subjecting it to [regular peer reviews](https://www.epa.gov/cmaq/cmaq-publications-and-peer-review)\r\n2. *Community Development*. Utilize a design that encourages innovations and enhancements by all members of the air quality modeling community\r\n3. *Multiscale Modeling*. Provide adequate technical formulations to address air quality issues on multiple spatial scales, from urban to hemispheric\r\n4. *Multi-pollutant Design*. Provide robust and integrated science for modeling multiple, coupled air quality issues in a single simulation\r\n5. *Modularity*. Maintain flexibility to add new, or select from existing, science modules to optimize model performance for specific applications\r\n6. *Transparency*. Utilize programming practices that promote understanding of the model formulation at the source-code level\r\n7. *Computational Efficiency*. Provide scientifically acceptable results without compromising the speed at which the results are generated\r\n8. *Open-Source Design*. Enable no-cost distribution and application by the modeling community\r\n\r\nDesigned under a community-modeling paradigm, CMAQ is distributed as open-source software engineered with a modular code design to facilitate decentralized development. Built around a layered [I/O API](https://www.cmascenter.org/ioapi) and [netCDF](http://www.unidata.ucar.edu/software/netcdf) code framework, CMAQ provides a flexible platform for testing new science algorithms, chemistry representations, and optimization techniques. CMAQ provides the following features to scientists interested in developing new algorithms or adding science to the model:\r\n\r\n- All CMAQ source code is available through [GitHub](https://github.com/USEPA/CMAQ).\r\n- Developed and distributed following open-source software conventions, CMAQ source code is easily accessible and free to obtain.\r\n- Designed for modularity, CMAQ uses standardized input/output (I/O) routines to facilitate extensibility.\r\n- The diverse and continually growing community of CMAQ developers provides an excellent forum for discussing development-related topics of all kinds.\r\n\r\nThe CMAQ modeling system is being developed and maintained under the leadership of the [EPA Office of Research and Development](https://www.epa.gov/aboutepa/about-office-research-and-development-ord) in Research Triangle Park, NC. CMAQ represents nearly three decades of research in atmospheric modeling and has been in active development since the early 1990s. The first public release of CMAQ was in 1998 to enable use by air quality scientists, policy makers, and stakeholder groups to address multiscale, multipollutant air quality concerns. Since then, through a series of phased development activities, new versions of the CMAQ modeling system are periodically released for use by the growing user community.\r\n\r\n## 1.3 Diagnostics, Tools, and Instrumented Models\r\nIn addition to the air pollutant concentration and deposition fields output by CMAQ, the modeling system can also be instrumented to compute and output additional diagnostic information that can be used to probe the workings of the atmosphere as well as inform and guide policy inferences. These instrumented configurations include:\r\n\r\n1. *[Integrated Source Apportionment Method (ISAM)](CMAQ_UG_ch11_ISAM.md)*: Estimates source attribution information for user specified ozone and particulate matter precursors modeled in CMAQ. Such apportionment information could be used to gain insight on, for example, how much of the ozone in an urban area was formed due to nitrogen oxides emitted from motor vehicles in a neighboring state?\r\n2. *[Decoupled Direct Method in Three Dimensions (DDM-3D)](CMAQ_UG_ch10_HDDM-3D.md)*: A formal mathematical formulation that propagates sensitivity of CMAQ estimated concentrations and/or deposition to specified parameters (e.g., emissions) through the science modules in CMAQ. CMAQ-DDM-3D can be used for sensitivity to emission rates, boundary conditions, initial conditions, reaction rates, potential vorticity, or any combination of these parameters. Second order sensitivity calculations, or sensitivity of sensitivity, are also available.\r\n3. *[Sulfur Tracking Method (STM)](CMAQ_UG_ch12_sulfur_tracking.md)*: Tracks sulfate production from gas- and aqueous-phase chemical reactions, as well as contributions from emissions and initial and boundary conditions. The additional diagnostic information enables users to better understand the relative contribution of various pathways for airborne sulfate, a dominant contributor to fine particulate matter.\r\n4. *[Integrated Process Rates (IPR)](CMAQ_UG_ch09_process_analysis.md)*: CMAQ can be configured to output the process rates for each of the modeled processes impacting change in ambient concentrations of modeled species. This essentially provides a breakdown of the various terms contributing to the overall species mass-balance and thus helps with species mass-budget analysis.\r\n5. *[Integrated Reaction Rates (IRR)](CMAQ_UG_ch09_process_analysis.md)*: This technique involves integrating the rates of individual chemical reactions represented in the gas-phase chemical mechanism employed by CMAQ. As an example, this information can then be used to infer the relative importance of various precursor species contributing to ozone production in a grid cell or region.\r\n6. *[Budget Tool](CMAQ_UG_ch09_process_analysis.md)*: This tool outputs domain-wide burden and specific process rates for user-selected variables in a summarized ascii file. This data can be useful in understanding broad features of the lifecycle of trace pollutants and in diagnosing potential model inconsistencies.\r\n7. *[Explicit and Lumped CMAQ Model Output (ELMO) Module](Appendix/CMAQ_UG_appendixF_elmo_output.md)*: The ELMO Module allows users to request direct output of aggregate variables like PM2.5 mass, total organic aerosol, and aerosol properties like mode-specific diameter and standard deviation. Users can also select scalar CMAQ variables and meteorological variables be added to ELMO output files.\r\n\r\n## 1.4 New Features in CMAQv5.5\r\nBuilding on previous versions of the modeling system, numerous updates to the process science and model structure have been implemented in CMAQv5.5 including: \r\n\r\n1. Gas and aerosol chemistry mechanisms have been updated to include more recent scientific understanding. CMAQv5.5 introduces version 2 of the Community Regional Atmospheric Chemistry Multiphase Mechanism (CRACMM2). CRACMM2 includes several updates to CRACMM1. Many updates are intended to improve the representation of secondary formaldehyde (HCHO) in CRACMM. These include the incorporation of the AMORE v1.2 isoprene condensation into the primary CRACMM mechanism, updates to HCHO yields from monoterpenes, and the addition of styrene as a new explicit species. Additional updates include changes to monoterpene nitrates that affect SOA formation and NOx recycling, the inclusion of emitted methane (ECH4), heterogeneous uptake of HO2 and NO3 radicals, and changes in how emissions of certain aromatic species are mapped to CRACMM species.\r\n \r\n2. CMAQv5.5 is the first public release that allows coupling of CMAQ with the Model for Prediction Across Scales (MPAS). MPAS-CMAQ supports global domains with seamless regional resolution refinement over areas of interest.\r\n\r\n3. The CMAQ-ISAM and CMAQ-DDM systems have been enhanced to support additional applications. CMAQ-ISAM now (1) includes the capability to quantify the contributions from anthropogenic and biogenic sources to total secondary organic aerosol (SOA) and individual species; (2) accounts for loss of aerosol mass from gravitational settling, thereby enabling the sum of K-mode tags to better match the bulk K-mode concentrations; (3) fixes a bug from v5.4 to allow for proper attribution of O3 from “stratospheric origin”. CMAQ-DDM was also corrected to properly estimate sensitivity of O3 to the PV-scaled O3 in the model top layers.\r\n\r\n4. A new option for estimation of photolysis rates was included. This option includes a new approach to estimate the effects of aerosol optical properties on photolysis rates. The approach provides a better match to optical properties determined by solving Mie scattering theory for spherical particles than the default method (FastOptics) but at comparable runtimes.\r\n \r\nSee the [CMAQv5.5 Series FAQ](https://github.com/USEPA/CMAQ/wiki/CMAQv5.5-Series-FAQ) for more information on model updates in the new release. \r\n\r\n## 1.5 System Recommendations\r\nCMAQ is a comprehensive air pollution modeling system whose source code is written mostly in Fortran. CMAQ execution is typically performed on Linux based systems. The hardware configuration of such a system depends on the domain size, grid resolution and simulation duration. Since typical input and output data sets for CMAQ entail three dimensional descriptions of the dynamical and chemical state of the simulated atmosphere, these data sets could require upwards of several gigabytes of disk storage per simulation day.\r\n\r\n## 1.6 CMAQ Support Resources\r\n\r\nExtensive information on the model's scientific basis, applications, publications, peer-review, and instructions to download the CMAQ modeling system are available at https://www.epa.gov/cmaq. To support the CMAQ user community, EPA currently funds the University of North Carolina at Chapel Hill to host the [Community Modeling and Analysis System (CMAS) Center](http://www.cmascenter.org/), which maintains a user help desk, provides new user training, and promotes the dissemination and use of the modeling system through exploration of new technologies and platforms (e.g., cloud-based). The CMAS Center offers an e-mail help desk and an [online forum](https://forum.cmascenter.org/) to allow users to connect with model developers and other model users around the world.\r\n\r\n\r\n___\r\n\r\n\r\n\r\n[CMAQ User's Guide List of Tables and Figures](CMAQ_UG_tables_figures.md)\r\n\r\n\r\n\r\n___\r\n\r\n\r\n\r\n[Home](README.md) - [Next Chapter >>](CMAQ_UG_ch02_program_structure.md)
\r\nCMAQv5.5 User's Guide
\r\n\r\n\r\n" }, { "path": "DOCS/Users_Guide/CMAQ_UG_ch02_program_structure.md", "content": "\n\n\n[<< Previous Chapter](CMAQ_UG_ch01_overview.md) - [Home](README.md) - [Next Chapter >>](CMAQ_UG_ch03_preparing_compute_environment.md)\n\n\n\n# 2. Program Structure\n## 2.1 Introduction\nThe CMAQ system is a suite of software programs that work in concert to estimate ozone, particulate matter, toxic compounds, and acid deposition in addition to other atmospheric pollutants of interest. As a framework for simulating the interactions of multiple complex atmospheric processes, CMAQ requires many types of inputs including meteorological information, primary pollutant emission rates, chemical properties and reactions, and land properties that are influential for exchange of pollutants with the atmosphere. \n\n## 2.2 CMAQ Core Programs\nWeather conditions such as the changes in temperature, winds, cloud formation, and precipitation rates are the primary physical driving forces for transport in the atmosphere. These conditions are represented in CMAQ using output from the [Weather Research and Forecasting (WRF) Model](https://www.mmm.ucar.edu/weather-research-and-forecasting-model) for regional- and hemispheric-scale simulations and from the [Model for Prediction Across Scales (MPAS)](https://www.mmm.ucar.edu/models/mpas) for global simulations. To obtain inputs on emissions, CMAQ relies on the open-source Sparse Matrix Operator Kernel Emissions [(SMOKE)](http://www.smoke-model.org) model to estimate the magnitude and location of pollution sources. Another open-source system, the \n[Fertilizer Emission Scenario Tool for CMAQ (FEST-C)](https://www.cmascenter.org/fest-c/) is used to run the Environmental Policy Integrated Climate (EPIC) model to generate agricultural land nitrogen and soil information needed for CMAQ bi-directional NH3 modeling.\n\nThe structure of the CMAQ system is illustrated in Fig. 2-1. The main CMAQ program, the CMAQ Chemistry Transport Model (CCTM), which is often referred to simply as CMAQ, contains the principal equations used for predicting pollutant concentrations given the inputs discussed above. These partial differential equations are designed for mass conservation and consider a myriad of important processes such as emissions, chemical reaction, uptake to clouds and precipitation, and dry deposition. An overview of the science configuration options in CMAQ can be found in [Chapter 6](CMAQ_UG_ch06_model_configuration_options.md). Instructions for compiling and running the CCTM are covered in Chapters 3 ([Preparing Compute Environment](CMAQ_UG_ch03_preparing_compute_environment.md)), 4 ([Model Inputs](CMAQ_UG_ch04_model_inputs.md)) and 5 ([Running a CMAQ Simulation](CMAQ_UG_ch05_running_a_simulation.md)). \n\n ![Figure 2-1](./images/Figure2-1.jpg)\n\n**Figure 2‑1. Overview of the CMAQ System**\n\nSeveral important tools are provided with the CMAQ system to handle the preparation of important input data. The meteorology data provided by the upstream meteorological model (e.g., WRF) is prepared for input to the CCTM by the Meteorology-Chemistry Interface Processor (MCIP). The CCTM also requires inputs for specifying the initial and boundary conditions of each chemical species treated by the model. These data may be processed and prepared for use by the ICON and BCON tools, respectively. Documentation on compiling and running MCIP, ICON, and BCON is available under the [PREP][link_2.2] folder. \n\n## 2.3 Online Emissions Options\nCMAQ includes several \"online\" emissions options to support coupling between meteorology and chemistry processes, and to facilitate operational air quality forecast modeling. The emissions streams available for running online in CMAQ are: biogenics, wind-blown dust, sea spray, marine gas emissions, and nitrogen oxides from lightning. One important advantage of incorporating these processes directly in a CCTM simulation is that emissions are meteorologically modulated at the synchronization (chemistry) time step rather than being linearly time-interpolated within each simulation hour. In addition, disk space may be saved, because a 3‑D emissions file is no longer needed for elevated point sources.\n\n## 2.4 Post-processing Tools\nThe CMAQ release includes a set of Fortran programs for manipulating CMAQ input and output files including matching model output to observed air quality data. Information on these post-processing tools is available under the [POST][link_2.4] folder. There are many additional resources available for visualizing and evaluating CMAQ input and output which are described in [Chapter 8](CMAQ_UG_ch08_analysis_tools.md). \n\n## 2.5 Utilities for Developers\nThe CMAQ release includes several optional utilities for model developers. These tools may be useful for advanced users who wish to use other chemical mechanisms and/or a different set of photolysis reaction input data. Chemical reaction data is processed by the Chemical Mechanism Compiler (*chemmech*) for all chemical reaction solver approaches. This tool needs chemical namelists (e.g. GC_NAMELIST, AE_NAMELIST, etc) in order to run, and these namelists can be modified directly with a text editor or converted to CSV with the namelist converter *nml*. After running chemmech, to then generate files specifically for the Euler Backward Iterative (EBI) solver approach, the *create_ebi* is provided. Finally the Photolysis Preprocessor (*inline_phot_preproc*) provides support for generating photolysis rate input to customize chemical mechanisms. In addition, the CMAQ repository includes software for generating Makefiles necessary for compiling the CCTM and other components. This *bldmake* utility is designed to account for user options, diagnose dependencies in source code and produce a Makefile ready to build executable files. Documentation for each utilitiy program is provided under the [UTIL][link_2.5] folder. \n\n\n\n[<< Previous Chapter](CMAQ_UG_ch01_overview.md) - [Home](README.md) - [Next Chapter >>](CMAQ_UG_ch03_preparing_compute_environment.md)\nCMAQv5.5 User's Guide
\n\n\n\n\n\n\n[link_2.2]: ../../PREP/\n[link_2.4]: ../../POST/\n[link_2.5]: ../../UTIL/\n\n\n\n[link_2.2]: https://github.com/USEPA/CMAQ/blob/main/PREP/\n[link_2.4]: https://github.com/USEPA/CMAQ/blob/main/POST/ \n[link_2.5]: https://github.com/USEPA/CMAQ/blob/main/UTIL/" }, { "path": "DOCS/Users_Guide/CMAQ_UG_ch03_preparing_compute_environment.md", "content": "\r\n\r\n\r\n [<< Previous Chapter](CMAQ_UG_ch02_program_structure.md)- [Home](README.md) - [Next Chapter >>](CMAQ_UG_ch04_model_inputs.md)\r\n\r\n\r\n\r\n# 3. Preparing Compute Environment for CMAQ Simulations\r\n\r\n## 3.1 Introduction\r\n\r\nIn this chapter the user will learn basic hardware and software requirements to run CMAQ. In addition, if the user does not have the required software, this chapter provides links to download the required software. \r\n\r\n## 3.2 Hardware Requirements\r\n\r\nThe suggested hardware requirements for running the CMAQ Northeast Benchmark case on a Linux workstation are:\r\n\r\n- 8 processors\r\n- 4 GB RAM\r\n- 400 GB hard drive storage\r\n\r\nHowever, to use CMAQ in a production environment where multiple iterations of the model will be executed for different spatial domains and/or emissions control strategies, either a cluster of multiprocessor PCs on a high-end network or an expandable rack-mounted Linux server is recommended.\r\n\r\nFor example, the CMAQ team at the EPA uses a Dell cluster. The cluster consists 128 nodes and each node contain two Intel Xeon E5-2697A v4 16-core processors (with a total of 4096 processors), 256 GB memory (8 GB/core), EDR InfiniBand interconnect and runs on Red Hat Enterprise Linux 8 operating system.\r\n\r\nTable 3-1 provides a general snapshot of three different CMAQ setups for a day of simulation conducted at the EPA. The output only included: the concentration file (CONC), the average concentration file (ACONC), 3-D average concentration file (CGRID), hourly dry deposition file (DRYDEP), and wet deposition from the clouds file (WETDEP1). The run time and domain size are dictated by the system hardware. Furthermore, the run time may vary due to compiler choice and system load.\r\n\r\n\r\n\r\n**Table 3‑1. Example of job scenarios at EPA for a single day simulation**\r\n\r\n|**Domain**|**Domain size**|**Species Tracked**|**Input files size**|**Output files size**| **Run time (# cores)** | \r\n|:--------------:|:----:|:-:|:-:|:-:|:--------:|\r\n| 2016 Southeast US | 100 X 80 X 35| 218 |6.7GB |6.3GB |8 min/day (32); 47 min/day (4) |\r\n| 2016 CONUS | 459 X 299 X 35 | 219 |18GB| 107GB | 50 min/day (128); 90 min/day (32) |\r\n| 2016 N. Hemisphere | 187 X 187 X 44 | 255 |15GB| 40GB | 25 min/day (128) |\r\n| 2018 North East US | 100 X 105 X 35 | 225 |26GB| 2GB | 15 min/day (32) |\r\n\r\n\r\n## 3.3 Software Requirements\r\n\r\nTo build the CMAQ program suite, users must install these libraries in the order listed: MPI, netCDF and IOAPI. As always, we recommend using the latest release available at the time of your CMAQ installation. A table of the software versions CMAQ has been developed and tested with is shown below: \r\n\r\n\r\n\r\n**Table 3‑2. CMAQ Development and Testing software versions**\r\n\r\n|**Software**|**Versions**|\r\n|:--------------:|:----:|\r\n| Intel Compiler | 18.0, 21.4 | \r\n| GNU Compiler | 6.1.0, 9.1, 12.2 | \r\n| PGI Compiler | 17.4, 21.9, 22.11 |\r\n\r\n**NOTE: The CMAQ team recommends using a single compiler suite when building these libraries. Mixing compiler suites when building these libraries can cause unexpected behavior (e.g., mixing intel 18.0 to build netCDF C libraries and gcc 6.1.0 to build netCDF fortran libraries may lead to compile time errors).** \r\n\r\n### 3.3.1 Message Passing Interface (MPI) library\r\n\r\nCMAQ is primarily a MPI based programming system that runs on parallel programming platforms. Many programs within the CMAQ system require a flavor of MPI installed on your machine. CMAQ has been tested with the [OpenMPI](https://www.open-mpi.org), [MPICH](https://www.mpich.org/downloads), [MVAPICH2](http://mvapich.cse.ohio-state.edu), and the [Intel MPI](https://software.intel.com/en-us/intel-mpi-library) libraries. The choice of MPI library may affect model run time. For example, if you have the Intel compiler suite available on your system, you may want to choose Intel MPI or if your system is using InfiniBand (IB) interconnects, choose MVAPICH2 which is tailored for IB.\r\n\r\nUsers can download the MPI library source code from one of these sites and follow provided procedures for proper installation. **Versions Tested: IntelMPI 2017.0, 21.4 | MPICH 3.3.1 | MVAPICH2 2.3.1 | OpenMPI 2.1.0, 4.1.4**\r\n\r\n### 3.3.2 netCDF library\r\n\r\nMost of the CMAQ input files and all output files are in netCDF format (the rest are in ASCII format). Hence the netCDF library is an essential component of the CMAQ model. The netCDF library is available for download at http://www.unidata.ucar.edu/software/netcdf/; users should follow the instructions for proper installation of **both** netCDF-C and netCDF-Fortran libraries. After successful installation, check the environment PATH & LD_LIBRARY_PATH to ensure that the paths have been updated to include the path of the netCDF C and Fortran libraries and bin. Note you may have to set these paths manually if not set, and these paths must be loaded every time you start a new shell. For additional installation resources plesae see the [CMAQ Tutorial Page](./Tutorials/README.md). **Versions Tested: NetCDF-C 4.2, 4.8.1 | NetCDF-Fortran 4.4.2, 4.5.3**\r\n\r\n### 3.3.3 I/O API library\r\n\r\nThe I/O API library provides an interface between the netCDF libraries and CMAQ, as well as WRF-CMAQ, to handle input and output (I/O) calls throughout the CMAQ code. The version of the I/O API library supported with CMAQv5.3.2+ (version 3.2 tagged 20200828) is available for download at https://github.com/cjcoats/ioapi-3.2/releases/tag/20200828. Users should note that the I/O API library requires netCDF files to be adhere to a strict formatting guidelines that can be found in the I/O API documentation. For simplicity, files following the IOAPI-netCDF formatting guidelines will be called \"IOAPI FILES\" from now on. **Versions Tested: IOAPI 3.2 tagged 20200828**\r\n\r\nThe general steps for installation of I/O API libraries on a Linux system (with C-shell and GNU compilers) are below. These instructions are an example. \r\n\r\nThe following is a procedure to install \"basic\" I/O API libraries (this is based on gfortran compiler, for other compilers, look for corresponding Linux2_x86_64*):\r\n\r\n```\r\nmkdir ioapi_3.2\r\ncd ioapi_3.2\r\n\r\n## Download IOAPI Libraries and untar downloaded source code in this directory\r\nwget http://github.com/cjcoats/ioapi-3.2/archive/20200828.tar.gz\r\ntar -xzvf 20200828.tar.gz\r\ncd ioapi-3.2-20200828\r\n\r\n### Set up your Linux system environment\r\nsetenv BIN Linux2_x86_64gfort\r\nsetenv BASEDIR $cwd\r\nsetenv CPLMODE nocpl\r\ncp Makefile.template Makefile\r\ntouch ioapi/Makefile\r\ntouch m3tools/Makefile\r\n```\r\n\r\nEdit the top level Makefile with the following steps:\r\n\r\n1. comment out the line with NCFLIBS=\r\n2. Add explicit netCDF C and Fortran library paths in front of -lnetcdf -lnetcdff, respectively, the following is an example:\r\n\r\n```\r\nNCFLIBS = -L/usr/local/apps/netcdf-c-4.7.0/gcc-9.1.0/lib -lnetcdf -L/usr/local/apps/netcdf-fortran-4.4.5/gcc-9.1.0/lib -lnetcdff\r\n```\r\n\r\nEdit the file in the ioapi folder called Makeinclude.Linux2_x86_64gfort to comment out all openMP options as CMAQ does not support openMP. Note: If users are using the ifort compiler you also need to remove -Bstatic flag within the ioapi/Makeinclude.Linux2_x86_64ifort file as well.\r\n\r\n```\r\nOMPFLAGS = # -fopenmp \r\nOMPLIBS = # -fopenmp\r\n```\r\n\r\nIn the top level IOAPI_3.2 directory run: \r\n\r\n```\r\nmake configure\r\nmake\r\n```\r\n\r\nOther I/O API library configuration options are available, and users can see a list of these options within the I/O API documentation. For example, I/O API can be configured in a manner that allows the CMAQ model to be run with the parallel I/O (PIO) feature turned on called the \"mpi\" I/O API libraries (Wong et al. 2015). More information about how to enable PIO within CMAQ can be found in [Appendix D.3](Appendix/CMAQ_UG_appendixD_parallel_implementation.md#d3-parallel-io). \r\n\r\nThere is also an I/O API version 3.2 \"large\" that is designed for applications with a large number of model output files (e.g. utilizing all of CMAQv5.3+ optional diagnostic output files) and/or a large number of model variables (e.g. CMAQ-HDDM or CMAQ-ISAM applications). I/O API v3.2-large increases the MXFILE3 variable from 256 to 512 and increases the MXVARS3 variable from 2048 to 16384, both found in PARAMS3.EXT, as noted in the [I/O API documentation](https://www.cmascenter.org/ioapi/documentation/all_versions/html/AVAIL.html#build). Users can [build](https://www.cmascenter.org/ioapi/documentation/all_versions/html/AVAIL.html#build) a copy of the large version by using: \r\n\r\n```\r\ncp -r ioapi-3.2-20200828 ioapi-3.2-20200828_large\r\ncd ioapi-3.2-20200828_large/ioapi/fixed_src\r\ncp ../PARMS3-LARGE.EXT ./PARMS3.EXT\r\nmv ../PARMS3-LARGE.EXT ../PARMS3.EXT\r\n```\r\n\r\nThis version is also available as a zip file from the following address:\r\n\r\nhttps://www.cmascenter.org/ioapi/download/ioapi-3.2-large-20200828.tar.gz\r\n\r\nInstallation instructions for I/O API v3.2-large are provided in README.txt in the .tar.gz file. \r\n\r\n**Note: Users using the I/O API v3.2-large will require additional computional resources during compile and runtime to account for the increase in memory footprint. Additionally, users may encounter upward and backwards compatability issues using different versions of I/O API, if the files are produced with this version of I/O API.**\r\n\r\n\r\n## 3.4 Optional Software\r\n\r\n\r\n\r\n**Table 3‑3. Optional support software for CMAQ**\r\n\r\n|**Software**|**Description**| **Source** |\r\n|------------|-------------------------------|---------------------------------------------|\r\n|***Evaluation and visualization tools***| | |\r\n|VERDI|Visualization Environment for Rich Data Interpretation for graphical analysis of netCDF gridded data|[](https://www.cmascenter.org/verdi/)|\r\n|PAVE|Package for Analysis and Visualization of Environmental data for graphical analysis of netCDF gridded data|[](http://www.cmascenter.org/)|\r\n|IDV|Integrated Data Viewer for 3-D graphical analysis of netCDF gridded data|[](http://www.unidata.ucar.edu/software/idv/)|\r\n|I/O API Tools|Postprocessing tools for manipulating data in the I/O API/netCDF format|[](https://www.cmascenter.org/ioapi/)|\r\n|netCDF Tools|Postprocessing tools for manipulating data in the netCDF format|[](http://my.unidata.ucar.edu/content/software/netcdf/index.html)|\r\n| ***Source code diagnostics*** |\r\n|GDB|Gnu Fortran debugger|[](https://www.sourceware.org/gdb/)|\r\n|PGDBG|Portland Group Fortran debugger|[](http://www.pgroup.com/)|\r\n|PGPROF|Portland Group Fortran code profiler|[](http://www.pgroup.com/)|\r\n|IDB|Intel Fortran debugger|[](https://software.intel.com/en-us/articles/idb-linux)|\r\n\r\n## 3.5 References:\r\n\r\nWong, D. C., Yang, C. E., Fu, J. S., Wong, K., and Gao, Y., “An approach to enhance pnetCDF performance in environmental modeling applications”, Geosci. Model Dev., 8, 1033-1046, 2015.\r\n\r\n\r\n\r\n [<< Previous Chapter](CMAQ_UG_ch02_program_structure.md)- [Home](README.md) - [Next Chapter >>](CMAQ_UG_ch04_model_inputs.md)
\r\nCMAQv5.5 User's Guide
\r\n\r\n\r\n" }, { "path": "DOCS/Users_Guide/CMAQ_UG_ch04_model_inputs.md", "content": "\r\n\r\n\r\n [<< Previous Chapter](CMAQ_UG_ch03_preparing_compute_environment.md) - [Home](README.md) - [Next Chapter >>](CMAQ_UG_ch05_running_a_simulation.md)\r\n\r\n\r\n\r\n# 4. Model Input Files\r\n\r\n## 4.1 Introduction\r\nThis chapter provides basic information on the format and content of CMAQ input files. It also provides information on using the pre-processing tools provided in the repository for preparing initial and boundary conditions and meteorology inputs. Links are provided for the emissions processing tools that are released through their own repository or website. A list of CMAQ input files can be found in [Table 4-1](#Input_Table). Some CMAQ input files are in ASCII format while the majority of them are in the [Network Common Data Form (netCDF) format](http://www.unidata.ucar.edu/software/netcdf). CMAQ input and output files are self-describing netCDF-format files in which the file headers have all the dimensioning and descriptive information needed to define the resident data. Users should download the latest code for the NetCDF from the [NetCDF website](http://www.unidata.ucar.edu/software/netcdf). Compilation and configuration information for the NetCDF is available through the Unidata website.\r\n\r\nAll CMAQ input and output files are conformed to I/O API netCDF file format. Please refer to the [I/O API User's Manual](https://www.cmascenter.org/ioapi/documentation/all_versions/html) for details.\r\n\r\nFull input datasets for 2016 over two domains are publically available to download from the CMAS Data Warehouse. The input files are stored on Google Drive with metadata organized through Dataverse. \r\n\r\n|**Domain**|**Simulation Dates**|**Dataverse DOI**| \r\n|:--------------:|:----:|:--------:|\r\n| Southeast US | July 1 - 14, 2016| https://doi.org/10.15139/S3/IQVABD |\r\n| Conterminous U.S. (CONUS) | Jan 1 - Dec 31, 2016 | https://doi.org/10.15139/S3/MHNUNE |\r\n\r\n\r\n## 4.2 CMAQ Pre-processors \r\n[Figure 2-1][link_4.2_fig2] shows the relationship between CMAQ pre-processors and the main CMAQ program, the CMAQ Chemistry Transport Model (CCTM). MCIP, ICON and BCON are included in the CMAQ repository and are used to create meteorological, initial conditions and boundary conditions inputs. SMOKE, FEST-C and Spatial Allocator Tools are external software packages used for creating emissions inputs for CMAQ. The following subsections provide more information on these tools and point the user to additional sources of documentation. \r\n\r\n### 4.2.1 Meteorology-Chemistry Interface Processor (MCIP)\r\n\r\nMCIP processes meteorological fields output by the WRF model into files that are compatible with the CCTM and SMOKE (an emissions processor that computes emissions inputs for CMAQ). The output files generated by MCIP are used by ICON and BCON and various other programs in CMAQ, so MCIP must be the first program run after installing the CMAQ source codes and initializing CMAQ environment variables. Configuration options for MCIP include the time periods over which to extract data from the meteorological model output files, horizontal grid definitions for output, and control for optional 3D output variables. MCIP can either process the full horizontal domain from WRF or a user-defined subset of that domain (that is, a \"window\"). Most of the fields that are simulated by WRF are not modified by MCIP for the CCTM or emissions model and are simply \"passed through\" to the output. Where needed, MCIP transforms data from the WRF projection and coordinate system to be consistent with that being used for CMAQ simulations. \r\n\r\nUnlike many of the tools distributed with CMAQ, MCIP is compiled with a Makefile and then run with a run script. Instructions on how to compile and run MCIP are provided in the [README.md][link_4.2.1] file in the PREP/mcip folder.\r\n\r\n### 4.2.2 Initial Conditions Processor (ICON)\r\n\r\nICON generates a gridded netCDF file of the chemical conditions for all grid cells in the modeling domain for the initial time of a simulation. It can generate these initial conditions from either an existing CCTM output file or one of four ASCII files of vertically resolved concentration profiles distributed with CMAQ. Running ICON requires that the user already generated MCIP files for their target modeling domain. For both input file options, ICON will interpolate the data to the horizontal and vertical structure of the target domain as defined in the MCIP files. The species in the ICON output file are identical to those in the input (either CCTM output or ASCII profile) file.\r\n\r\nUsing an existing CCTM output file to generate initial conditions is applicable when interpolating initial conditions from a coarse to a fine grid domain, as may occur when setting up nested simulations (simulations with finer-resolution grids that cover part of coarser-resolution grids). This is the preferred mode of specifying initial conditions since the spatial concentration patterns derived from the coarser-resolution simulation can be considered a first approximation of the concentration fields over the finer-resolution subdomain at the beginning of the simulation.\r\n\r\nThe four ASCII files of vertically resolved concentration profiles [distributed with CMAQ][link_4.2.2_I] represent annual average concentrations at a grid cell over the Pacific derived from a simulation with the hemispheric version of CMAQv5.3 beta2 for the year 2016. As such, these concentration profiles are reflective of conditions in a remote marine environment. The simulation was performed with the cb6r3m_ae7_kmtbr chemical mechanism and profiles for racm_ae6_aq, saprc07tc_ae6_aq, and saprc07tic_ae7i_aq were derived using the species mapping approach described in Step 3 of the [CMAQ Tutorial on creating Initial and Boundary Conditions from Seasonal Average Hemispheric CMAQ Output](./Tutorials/CMAQ_UG_tutorial_HCMAQ_IC_BC.md). If one of these ASCII profile files is used to generate initial conditions, the resulting concentration fields will be uniform over the modeling domain and will not be a realistic representation of conditions over the modeling domain. As a result, simulations initialized with profile-derived rather than CCTM-derived concentration fields may require longer spin-up periods before conditions simulated within the domain no longer are influenced by these unrealistic initial concentration fields. \r\n\r\nThe configuration options for ICON include choosing whether the initial conditions are generated from an existing CCTM output file or from an ASCII profile, and defining the horizontal and vertical grids and time for which initial conditions are to be generated. Information on configuring ICON for the different kinds of input data, environment variables, input and output files, compiling and running ICON are provided in the [README.md][link_4.2.2_II] file in the PREP/icon folder.\r\n\r\n### 4.2.3 Boundary Conditions Processor (BCON)\r\n\r\nBCON generates a netCDF file of the chemical conditions along the lateral boundaries of the modeling domain. BCON will generate an output file with chemical concentrations for all grid cells along the modeling domain's horizontal boundaries. It can generate these boundary conditions from either an existing CCTM output file or one of four ASCII files of vertically resolved concentration profiles distributed with CMAQ. Running BCON requires that the user already generated MCIP files for their target modeling domain. For both input file options, BCON will interpolate the data to the horizontal and vertical structure of the target domain as defined in the MCIP files. The species in the BCON output file are identical to those in the input (either CCTM output or ASCII profile) file. Depending on user specified options and/or input datasets, the boundary conditions generated by BCON can be time varying, time independent, and either spatially uniform or variable across the model boundaries.\r\n\r\nUsing an existing CCTM output file to generate boundary conditions is applicable when setting up windowed simulations (simulations with the same resolution that cover only a part of the outer domain) or nested simulations (simulations with finer-resolution grids that cover part of coarser-resolution grids). This is the preferred mode of specifying boundary conditions since the spatial concentration patterns derived from the coarser-resolution simulation will be spatially varying along the boundaries of the finer-resolution domain. Boundary conditions generated from CCTM output files will be either time varying or time independent.\r\n\r\nThe four ASCII files of vertically resolved concentration profiles [distributed with CMAQ][link_4.2.2_I] represent annual average concentrations at a grid cell over the Pacific derived from a simulation with the hemispheric version of CMAQv5.3 beta2 for the year 2016. As such, these concentration profiles are reflective of conditions in a remote marine environment. The simulation was performed with the cb6r3m_ae7_kmtbr chemical mechanism and profiles for racm_ae6_aq, saprc07tc_ae6_aq, and saprc07tic_ae7i_aq were derived using the species mapping approach described in Step 3 of the [CMAQ Tutorial on creating Initial and Boundary Conditions from Seasonal Average Hemispheric CMAQ Output](./Tutorials/CMAQ_UG_tutorial_HCMAQ_IC_BC.md). If one of these ASCII profile files is used to generate boundary conditions, the resulting concentration fields will be uniform along the boundaries of the modeling domain and will not vary in time. Therefore, they are not a realistic representation of conditions along the domain boundaries and should only be used in cases where boundary conditions are not expected to affect the interpretation of model results. \r\n\r\nCMAQ can use boundary conditions derived from global chemistry models (GCMs). While BCON does not directly support processing of datasets from GCMs (other than the hemispheric version of CMAQ) in their native formats, users could develop their own custom codes to transform their GCM datasets into I/O API format, which would then allow these datasets to be input into BCON in the same way as an existing CCTM output file. \r\n\r\nThe configuration options for BCON include choosing whether the boundary conditions are generated from an existing CCTM output file or from an ASCII profile, and defining the horizontal and vertical grids and time period for which boundary conditions are to be generated. Information on configuring BCON for the different kinds of input data, environment variables, input and output files, compiling and running BCON are provided in the [README.md][link_4.2.3] file in the PREP/bcon folder.\r\n\r\n### 4.2.4 External Software Programs for Preparing CMAQ Inputs\r\nThe SMOKE and FEST-C modeling systems and the Spatial Allocator tools are used to create CMAQ emissions and land surface inputs. These systems are maintained by EPA and CMAS developers and are hosted and supported by the CMAS Center. Links to documentation and software download for each system are provided below. \r\n\r\n**Emissions Processor (SMOKE)** \r\n[Sparse Matrix Operator Kerner Emissions (SMOKE) Modeling System](https://www.cmascenter.org/smoke/) is designed to create gridded, speciated, hourly emissions for input into CMAQ and other air quality models. SMOKE supports area, biogenic, mobile (both onroad and nonroad), and point source emissions processing for criteria, particulate, and toxic pollutants. For biogenic emissions modeling, SMOKE uses the Biogenic Emission Inventory System. \r\n\r\n**Fertilizer Emissions Processor (FEST-C)**\r\nThe [Fertilizer Emission Scenario Tool for CMAQ (FEST-C)](https://www.cmascenter.org/fest-c/) system is used to generate agricultural-land nitrogen and soil information for CMAQ bi-directional NH3 modeling. FEST-C contains three main components: Java interface, Environmental Policy Integrated Climate (EPIC) model, and SA Raster Tools. The interface guides users through generating required land use and crop data and EPIC input files and simulating EPIC, and extracting EPIC output for CMAQ. \r\n\r\nFEST-C is used to create the [E2C_LU](#e2c_lu), [E2C_SOIL](#e2c_soil), and [E2C_CHEM](#e2c_chem) files discussed later in this chapter. \r\n\r\n**Processing Spatial Data with the Spatial Allocator (SA)**\r\nThe [Spatial Allocator](https://www.cmascenter.org/sa-tools/) is a set of tools that helps users manipulate and generate data files related to emissions and air quality modeling. The tools perform functions similar to Geographic Information Systems (GIS), but are provided to the modeling community free of charge. In addition, the tools are designed to support some of the unique aspects of the file formats used for CMAQ, SMOKE and WRF modeling.\r\n\r\nSA is used to generate the surf zone and open ocean file that is a required input for utilizing marine emissions and chemistry in CMAQ. Some chemical mechanisms require the presence of additional variables in the ocean file which can be added by using a Python based tool. This file is discussed later in this chapter under the [OCEAN_1: Sea spray mask](#ocean_1) section.\r\n\r\n**Python tool for adding DMS and CHLO in the OCEAN file** \r\nAn ocean mask file (OCEAN) containing OPEN (open ocean) and SURF (surf zone) is needed for sea spray emissions module in CMAQ. Some chemical mechanisms (e.g., CB6r5m_ae7_aq) in CMAQ include halogen and DMS chemistry which requires additional parameters in the OCEAN file: DMS (DMS concentrations in seawater) and CHLO (monthly climatological chl-a concentration from MODIS). A Python based tool has been developed for adding DMS and CHLO to the OCEAN file (PYTOOLS/dmschlo/CMAQ_DMS_ChlorA_Plot.ipynb). Not all chemical mechanisms need DMS and CHLO and some (CB6r5_ae7_aq) only need DMS.\r\n\r\nAdditional information on processing data for CMAQ inputs is provided in [Appendix C](Appendix/CMAQ_UG_appendixC_spatial_data.md).\r\n\r\n\r\n\r\n## 4.3 CMAQ Input Files\r\n\r\n[Jump to Table of Input Files](#Input_Table)
\r\n[Jump to CCTM Output Files in Chapter 7](CMAQ_UG_ch07_model_outputs.md)\r\n\r\nCMAQ requires a basic set of input files: initial condition file, which is created by ICON process or previous day output; boundary condition file, which is created by BCON process; emission files; and meteorological data created by MCIP using WRF and terrain data. Additional input files may be required based on specific run time options. CMAQ output files include a basic set of files with aerosol and gas-phase species concentrations, wet and dry deposition estimates, and visibility metrics, and an auxiliary set of output files for diagnosing model performance and in-line-calculated emissions. Model outputs are discussed in [Chapter 7](CMAQ_UG_ch07_model_outputs.md).\r\n\r\nRather than forcing the user to deal with hard-coded file names or hard-coded unit numbers, the I/O API netCDF file format utilizes the concept of logical file names. The modelers can define the logical names as properties of a program, and then at run-time the logical names can be linked to the actual file name using environment variables. For programming purposes, the only limitations are that logical file names cannot contain blank spaces and must be at most 16 characters long. When a modeler runs a program that uses the I/O API format, environment variables must be used to set the values for the program’s logical file names. A complete list of CMAQ input is provided in [Table 4-1](#Input_Table).\r\n\r\nThis section describes each of the input files required by the various CMAQ programs. The section begins with a description of the grid definition file, GRIDDESC, which is used by several CMAQ programs, and then goes through a program-by-program listing of the CMAQ input file requirements. [Table 4-1](#Input_Table) lists the source, file type (e.g. ASCII, [GRDDED3](https://www.cmascenter.org/ioapi/documentation/all_versions/html/DATATYPES.html), [BNDARY3](https://www.cmascenter.org/ioapi/documentation/all_versions/html/DATATYPES.html), etc.), and temporal and spatial dimensions of each CMAQ input file. Typical time step is 1 hour; however a user can specify a finer one, e.g. 20 minutes. In addition, typical thickness of a boundary file is 1, i.e. NTHIK = 1 but it can be any positive integer.\r\n\r\n\r\n\r\n**Table 4-1. CMAQ input files.** Note that when \"Time-Dependence\" is listed as \"Hourly\", it is shorthand for a time-varying file. It is recommended that CMAQ use a time increment that is no longer than one hour. However, CMAQ can be run with a Time Dependence that is shorter than hourly.\r\n\r\n|**Environment Variable Name for File**|**File Type**|**Time-Dependence**|**Spatial Dimensions**|**Source**|**Required**|\r\n|----------------------|-----------|-----------|----------|----------|---------|\r\n|**General**| | | |||\r\n|[GRIDDESC](#griddesc) |ASCII|n/a|n/a|MCIP|required|\r\n|[gc_matrix_nml](#matrix_nml) |ASCII|n/a|n/a|CMAQ repo|required|\r\n|[ae_matrix_nml](#matrix_nml) |ASCII|n/a|n/a|CMAQ repo|required|\r\n|[nr_matrix_nml](#matrix_nml) |ASCII|n/a|n/a|CMAQ repo|required|\r\n|[tr_matrix_nml](#matrix_nml) |ASCII|n/a|n/a|CMAQ repo|required|\r\n|[MISC_CTRL_NML](#miscctrl) |ASCII|n/a|n/a|CMAQ repo|required|\r\n|**Initial Conditions Inputs**| | | ||\r\n|[INIT_CONC_1](#init_conc_1) |GRDDED3|Time-invariant | XYZ | ICON or CCTM |required|\r\n|**Boundary Conditions Inputs**| | | | ||\r\n|[BNDY_CONC_1](#bndy_conc_1) |BNDARY3| Hourly |PERIM\\*Z|BCON|required|\r\n|**MCIP**| | | | |||\r\n|[GRID_CRO_2D](#grid_cro_2d) | GRDDED3 | Time-invariant | XY | MCIP|required|\r\n|[GRID_BDY_2D](#grid_bdy_2d) | BNDARY3 | Time-invariant | PERIM\\*Z | MCIP|required|\r\n|[GRID_DOT_2D](#grid_dot_2d) | GRDDED3 | Time-invariant | (X+1)\\*(Y+1) | MCIP|required|\r\n|[MET_BDY_3D](#met_bdy_3d) | BNDARY3 | Hourly | PERIM\\*Z | MCIP|required|\r\n|[MET_CRO_2D](#met_cro_2d) | GRDDED3 | Hourly | XY | MCIP|required|\r\n|[MET_CRO_3D](#met_cro_3d) | GRDDED3 | Hourly | XYZ | MCIP|required|\r\n|[MET_DOT_3D](#met_dot_3d) | GRDDED3 | Hourly | (X+1)\\*(Y+1)Z | MCIP|required|\r\n|[LUFRAC_CRO](#lufrac_cro) | GRDDED3 | Time-invariant | XYL | MCIP|required|\r\n|[SOI_CRO](#soi_cro) | GRDDED3 | Hourly | XYS | MCIP | optional (Contains soil moisture and soil temperature in layers. A two-layer representation of those fields is currently mirrored in MET_CRO_2D.)|\r\n|[MOSAIC_CRO](#mosaic_cro) | GRDDED3| Hourly| XYM | MCIP|optional (Contains surface fields in mosaic land use categories if Noah Mosaic LSM was run in WRF. Can work with STAGE deposition in CCTM.)|\r\n|[mcip.nc](#mcip) | netCDF | varies by field | varies by field | MCIP|required if IOFORM=2 (Currently not compatible with rest of CMAQ system.)|\r\n|[mcip_bdy.nc](#mcip_bdy) | netCDF | varies by field | varies by field | MCIP|required if IOFORM=2 (Currently not compatible with rest of CMAQ system.)|\r\n|**Emissions Inputs**||||||\r\n|[DESID_CTRL_NML](#desidctrl) |ASCII|n/a|n/a|CMAQ repo|required|\r\n|[DESID_CHEM_CTRL_NML](#desidchemctrl) |ASCII|n/a|n/a|CMAQ repo|required|\r\n|[GR_EMIS_XXX*](#emis_xxx) | GRDDED3 | Hourly | XYZ | SMOKE|required|\r\n|[STK_GRPS_XXX](#stk_grps) | GRDDED3 |Time-invariant|XY | SMOKE|required|\r\n|[STK_EMIS_XXX](#stk_emis) | GRDDED3 | Hourly | XY | SMOKE|required|\r\n|[NLDN_STRIKES](#nldn_strikes) | GRDDED3 | Hourly | XY |Must purchase data|optional for including NO from lightning|\r\n|[LTNGPARMS_FILE](#ltngparm_file) | GRDDED3 | Time-invariant | XY |CMAS|required for including NO from lightning|\r\n|**Biogenic and Land Surface Inputs**||||||\r\n|[OCEAN_1](#ocean_1) | GRDDED3 | Time-invariant | XY |Spatial Allocator and a Python-based tool|required for running CMAQ with sea-spray aerosol, halogen or DMS chemistry|\r\n|[GSPRO](#gspro) | ASCII | Time-invariant | N/a | CMAQ repo|required for running CMAQ with online BEIS biogenics|\r\n|[BEIS_NORM_EMIS](#beis_norm_emis) | GRDDED3 | Time-invariant | XY | SMOKE|required for running CMAQ with online BEIS biogenics|\r\n|[MEGAN_CTS](#megan_cts) | GRDDED3 | Time-invariant | XYZ | MEGAN preprocessor|required for running CMAQ with online MEGAN biogenics|\r\n|[MEGAN_LDF](#megan_ldf) | GRDDED3 | Time-invariant | XY | MEGAN preprocessor|required for running CMAQ with online MEGAN biogenics|\r\n|[MEGAN_EFS](#megan_efs) | GRDDED3 | Time-invariant | XY | MEGAN preprocessor|required for running CMAQ with online MEGAN biogenics|\r\n|[MEGAN_LAI](#megan_lai) | GRDDED3 | Time-invariant | XY | MEGAN preprocessor|optional for running CMAQ with online MEGAN biogenics|\r\n|[BDSNP_AFILE](#megan_arid) | GRDDED3 | Time-invariant | XY | MEGAN preprocessor|required for BDSNP soil NO|\r\n|[BDSNP_NAFILE](#megan_nonarid) | GRDDED3 | Time-invariant | XY | MEGAN preprocessor|required for BDSNP soil NO model |\r\n|[BDSNP_LFILE](#megan_landtype) | GRDDED3 | Time-invariant | XY | MEGAN preprocessor|required for BDSNP soil NO model |\r\n|[BDSNP_FFILE](#megan_fert) | GRDDED3 | Time-invariant | XY | MEGAN preprocessor|required for BDSNP soil NO model |\r\n|[BDSNP_NFILE](#megan_ndf) | GRDDED3 | Time-invariant | XY | MEGAN preprocessor|required for BDSNP soil NO model |\r\n|[E2C_LU](#e2c_lu) | GRDDED3 | Time-invariant |XY|EPIC|required for running CMAQ with bidirectional NH3|\r\n|[E2C_SOIL](#e2c_soil) | GRDDED3 | Time-invariant | XY|EPIC|required for running CMAQ with bidirectional NH3|\r\n|[E2C_CHEM](#e2c_chem) | GRDDED3 | Daily |XY|EPIC|required for running CMAQ with bidirectional NH3|\r\n|**STAGE Deposition Option**||||||\r\n|[STAGECTRL_NML](#stagectrl_nml) |ASCII|n/a|n/a|CMAQ repo|required|\r\n|**Photolysis** | | | |||\r\n|[OMI](#omi) | ASCII | Daily | n/a |CMAQ repo or create_omi|required|\r\n|[OPTICS_DATA](#omi) | ASCII | n/a | n/a |CMAQ repo|required|\r\n|[CSQY_DATA](#omi) | ASCII | n/a | n/a |CMAQ repo|required|\r\n\r\n*XXX - three-digit variable indicating emission stream number. Gridded and Inline Point emissions are numbered independently.\r\n\r\n### 4.3.1 Windowing Capability\r\nUnder the assumption that all inputs utilize the same projection and grid resolution, CMAQ allows users to provide a gridded input files which covers a different geographic extent but are a proper super set of the simulation domain. Proper super set means that the simulated domain must be at least one grid cell smaller at all sides than the gridded input (see Figure 4-3-1 below). This capability excludes the chemical boundary condition file (BCFILE) which must be created for the simulated domain using the BCON program. This capability applies to meteorological data files, however, METBDY3D won't be used, and the meteorological boundary information will be extracted from METCRO3D directly. For point source files, CMAQ already can discern if a particular point source is within the simulation domain or not as long as the files also use the same projection.\r\n\r\n ![Figure 4-3-1](./images/Figure4-3-1.png)\r\n\r\n**Figure 4-3-1. Appropriate Windowing Domain illustration**\r\n## 4.4 GRIDDESC and Species Namelist Files\r\n\r\n \r\n**GRIDDESC: Horizontal domain definition**\r\n\r\n\r\n\r\n[Return to Table 4-1](#griddesc_t)\r\n\r\n\r\n\r\nUsed by: ICON, BCON, CCTM\r\n\r\nThe CMAQ grid description file (**GRIDDESC**) is an ASCII file that contains two sections: a horizontal coordinate section, and domain description section. The GRIDDESC file is generated automatically by MCIP; alternatively, GRIDDESC can be created using a text editor.\r\n\r\nThe horizontal coordinate section consists of text records that provide the coordinate-system name, the map projection, and descriptive parameters that define the projection. This section is used to provide projection information that is used by a family of nested domains, where the coordinate-system name is shared by each of the domains. \r\n\r\nThe grid description section consists of text records that indicate the grid name, related coordinate-system name (i.e., which GRIDDESC horizontal coordinate name that is defined in the previous section that is applied to this grid), and descriptive parameters for the coordinates of the lower-left corner of the grid, grid cell size, number of columns, and rows. There are at most 32 coordinate systems and 256 grids that can be listed in one of these files. These files are small enough to be archived easily with a study and have a sufficiently simple format that can easily be constructed \"by hand.\" The elements of the GRIDDESC files are typically included with the metadata for the output files in the CMAQ system.\r\n\r\nAn example of a GRIDDESC file is shown below:\r\n\r\n```\r\n' '\r\n'LAM_40N100W' \r\n2 30.0 60.0 -100.0 -100.0 40.0\r\n' ' \r\n'M_32_99TUT02'\r\n'LAM_40N100W' 544000.0 -992000.0 32000.0 32000.0 38 38 1\r\n' '\r\n```\r\n\r\nThe horizontal coordinate section (first section) in this example GRIDDESC file defines a horizontal coordinate named “LAM_40N100W”. The coordinate definition is for a Lambert conformal grid, keyed by the first column of the coordinate description line, which corresponds to the numeric code for the various I/O API-supported grid types (2 = Lambert). The next three parameters (P_ALP, P_BET, and P_GAM) have different definitions for different map projections. For Lambert conformal, P_ALP and P_BET are the true latitudes of the projection cone (30°N and 60°N in the example), and P_GAM (100°W in the example) is the central meridian of the projection. The last two parameters, XCENT and YCENT, are the reference longitude and latitude for the domain, which are 100°W and 40°N in the example.\r\n\r\nThe second section in the example describes a domain named “M_32_99TUT02”. In this example, the coordinate named “LAM_40N100W” is referenced in the domain definition. The next two parameters in the domain definition (XORIG and YORIG) are the east-west and north-south offsets from XCENT and YCENT in meters. The next two parameters (XCELL and YCELL) are the horizontal grid spacing in meters for the X and Y directions (i.e., Δx and Δy). The next two parameters (NCOLS and NROWS) are the numbers of grid cells in the X and Y directions. The grid definition concludes with the number of boundary cells, NTHIK, which is typically set to 1. Note that the number of boundary cells for CMAQ differs from that used by WRF.\r\n\r\nAdditional information about the parameters in the GRIDDESC file can be found in the [I/O API Documentation](https://www.cmascenter.org/ioapi/documentation/all_versions/html/GRIDS.html).\r\n\r\n\r\n\r\n**{gc|ae|nr|tr}_matrix.nml: Species namelist files**\r\n\r\n[Return to Table 4-1](#matrix_nml_t)\r\n\r\n\r\nUsed by: CCTM, CHEMMECH\r\n\r\nNamelist look-up tables for different classes of simulated pollutants are used to define the parameters of different model species during the execution of the CMAQ programs. Gas-phase (gc), aerosol (ae), non-reactive (nr), and tracer (tr) species namelist files contain parameters for the model species that are included in these different classifications. The species namelist files are used to control how the different CMAQ programs and processes handle the model species. The namelist files define the following processes for each model species:\r\n\r\n\r\n- Initial conditions which initial condition species is the pollutant mapped to; if not specified, this will default to the species name.\r\n- IC Factor if the pollutant is mapped to an initial condition species, uniformly apply a scaling factor to the concentrations.\r\n- Boundary conditions which boundary condition species is the pollutant mapped to; if not specified, this will default to the species name.\r\n- BC Factor if the pollutant is mapped to a boundary condition species, uniformly apply a scaling factor to the concentrations.\r\n- Deposition velocity which (if any) deposition velocity is the deposition velocity for the pollutant mapped to; allowed velocities are specified within the model source code.\r\n- Deposition velocity factor if the pollutant is mapped to a deposition velocity, uniformly apply a scaling factor to this velocity.\r\n- Scavenging - which (if any) species is the pollutant mapped to; Allowed scavenging surrogates are specified within the model source code (\"[hlconst.F][link_4.4_hlconst]\").\r\n- Scavenging factor - if the pollutant is mapped to a species for scavenging, uniformly apply a scaling factor to the scavenging rate.\r\n- Gas-to-aerosol conversion which (if any) aerosol chemistry species does the gas phase pollutant concentration go into for transformation from the gas-phase to the aerosol-phase. Allowed gas-to-aerosol surrogates are specified within the model source code (\"[PRECURSOR_DATA.F][link_4.4_precursor]\" and \"[SOA_DEFN.F][link_4.4_soa]\")\r\n- Gas-to-aqueous Surrogate which (if any) cloud chemistry species does the gas pollutant concentration go into for simulating chemistry within cloud water. Allowed gas-to-aqueous surrogates are specified within the model source code and depends on the cloud model/aqueous chemistry being used (for example, for the acm_ae6, see \"[AQ_DATA.F][link_4.4_aq]\").\r\n- Aerosol-to-aqueous Surrogate which (if any) cloud chemistry species does the aerosol pollutant concentration go into for simulating chemistry within cloud water. Allowed aerosol-to-aqueous surrogates are specified within the model source code and depends on the cloud model/aqueous chemistry being used (for example, for the acm_ae6, see \"[AQ_DATA.F][link_4.4_aq]\").\r\n- Transport is the pollutant transported by advection and diffusion in the model?\r\n- Dry deposition Write the pollutant to the dry deposition output file?\r\n- Wet deposition Write the pollutant to the wet deposition output file?\r\n- Concentration Write the pollutant to the instantaneous concentration output file?\r\n\r\nThe namelist files contain header information that describe which class of species are contained in the file, the number of parameters contained in the file, headers describing the parameter fields, and then a series of rows with configuration parameters for every model species. [Table 4-2](#Table4-2) contains the namelist file format for the gas-phase (GC) species namelist file. The namelist files for the other species classifications (AE, NR, TR) are similar to the format shown in [Table 4-2](#Table4-2).\r\n\r\n\r\n\r\n**Table 4-2. GC species namelist file format**\r\n\r\n| **Line**| **Column** |**Name** | **Type**| **Description** |**Options for Syntax**:|\r\n|-----|-----|----------------------|----------|--------------------------------------------|----------------------------|\r\n| 1 || File Type |String|String to delineate Gas Phase (GC), Aerosol (AE), Non-reactive (NR) and Tracer (TR) species namelist|{&GC_nml, &AE_nml, &NR_nml, &TR_nml}|\r\n| 3 || Header ID | String |String to define data structure relating to namelist|{GC_SPECIES_DATA=, AE_SPECIES DATA= , NR_SPECIES_DATA= ,TR_SPECIES_DATA = }|\r\n| 5 |1| SPECIES | String |CMAQ Species name, i.e. NO, HNO3, PAR; dependent on chemical mechanism|-|\r\n||2| MOLWT| Integer |Species Molecular Weight|-|\r\n| |3| IC | String |IC surrogate species name for the CMAQ Species|{'Species name', ' '}|\r\n| |4| FAC | Integer |Scaling factor for the IC concentration|{Any real: default = -1 if IC is not specified}|\r\n| |5| BC | String |BC surrogate species name for the CMAQ Species|{'Species name', ' '}|\r\n| |6| FAC | Integer |Scaling factor for the BC concentration|{Any real: default = -1 if BC is not specified}|\r\n| |7| DRYDEP SURR | String |Deposition velocity variable name for the CMAQ Species|{'Species name', ' '}|\r\n| |8| FAC | Integer |Scaling factor for the deposition velocity|{Any real: default = -1 if SURR is not specified}|\r\n| |9| WET-SCAV SURR | String |Wet Deposition Scavenging surrogate species|{'Species name', ' '}|\r\n| | 10 | FAC | Integer |Scaling factor for Scavenging|{Any real: default = -1 if SURR is not specified}|\r\n|| 11 | GC2AE SURR | String |Gas-to-aerosol transformation species|{'Species name', ' '}|\r\n|| 12 | GC2AQ SURR | String |Gas-to-aqueous transformation species|{'Species name', ' '}|\r\n|| 13 | TRNS | String |Transport Switch. _NOTE_: Instead of using one column labeled \"TRNS\" to turn/off both advection and diffusion for a pollutant, two separate columns labeled \"ADV\" and \"DIFF\" can be used to switch on/off advection and diffusion separately.|{YES/NO}|\r\n|| 14 | DDEP | String |Dry deposition output file switch|{YES/NO}|\r\n|| 15 | WDEP | Real |Wet deposition output file switch|{YES/NO}|\r\n|| 16 | CONC | String |Concentration output file switch|{YES/NO}|\r\n\r\n\r\n\r\nThe namelist files for the other pollutant classes have similar configurations as the gas-phase species configuration shown in [Table 4-2](#Table4-2). For an example see this [link][link_4.4_nml] to the GC namelist species file for the cb06r3_ae7_aq mechanism.\r\n\r\n\r\n\r\n**CMAQ_Control_Misc.nml: Miscellaneous Control Variables**\r\n\r\n[Return to Table 4-1](#miscctrl_t)\r\n\r\n\r\nUsed by: ELMO, Budget Tool, DESID\r\n \r\nThis control file provides an interface to activate/deactivate and set parameters for the operation of the Explicit and Lumped CMAQ Model Output module (ELMO; [Appendix F](Appendix/CMAQ_UG_appendixF_elmo_output.md)), the Budget Tool (Chapter 9), and an aspect of the DESID emissions interface. The variables for the ELMO and Budget Tool modules should be chosen in this file in the &elmo_activate, &elmo_inst, &elmo_avrg, and &Budget_Options sections. \r\n\r\nThe final sections (&Chemical_FamVars and &ChemicalFamilies) allow users to define chemical families for output that can be referred to by ELMO, The Budget Tool or DESID. For example, 'NOX' may be defined as a chemical family containing 'NO' and 'NO2'. \r\nThe &Chemical_FamVars section should be used to define the total number of chemical families that will be specified (N_Chem_Fams) and the maximum number of chemical species among all defined chemical families (Max_Chem_Fam_Members). For example, if a user defined three chemical families including 'NOX','AROMATICS', and 'BSOA', then a chemical family entry could be written as follows:\r\n\r\n```\r\n&Chem_FamVars \r\n N_Chem_Fams = 3 \r\n Max_Chem_Fam_Members = 10 \r\n / \r\n &ChemicalFamilies \r\n ChemFamilyName(1) = 'NOX'\r\n ChemFamilyMembers(1,:) = 'NO','NO2' \r\n \r\n ChemFamilyName(2) = 'AROMATICS'\r\n ChemFamilyMembers(2,:) = 'TOL','XYL','BENZ','NAPH' \r\n \r\n ChemFamilyName(3) = 'DUST'\r\n ChemFamilyMembers(3,:) = 'ACORS','ASOIL','AECI','AECJ','AFEJ','AALJ','ATIJ','ASIJ','ACAJ','AMGJ','AKJ','AMNJ' \r\n / \r\n```\r\n\r\n\r\n\r\n## 4.5 Initial Conditions Input\r\n\r\n**INIT_CONC_1: Initial conditions**\r\n\r\n\r\n \r\n[Return to Table 4-1](#init_conc_1_t)\r\n\r\n\r\n\r\nUsed by: CCTM\r\n\r\nThe initial concentrations of each species being modeled must be input to CMAQ. The initial conditions input file type is GRDDED3 and does not vary with time. The actual file data are organized in this manner: by column, by row, by layer, by variable. Initial conditions files have the same structure as concentration files, so the predicted concentrations from the last hour of day 1 can be used to initialize the following day’s simulation. This gives CMAQ users the flexibility to segment simulations in any way they choose.\r\n\r\n\r\n\r\n## 4.6 Boundary Conditions Input\r\n\r\n**BNDY_CONC_1: Boundary conditions**\r\n\r\n\r\n\r\n[Return to Table 4-1](#bndy_conc_1_t)\r\n\r\n\r\n\r\nUsed by: CCTM\r\n\r\nCMAQ boundary condition data are of the BNDARY3 file type. Produced by the boundary condition processor, BCON, CCTM reads these data and correlates them with the interior data using a pointer system. This pointer system designates the beginning location of the data in memory that start a new side of the domain (i.e., south, east, north, or west). Consult I/O API User Guide for a pictorial description.\r\n\r\nEach species being modeled should be in the BNDY_CONC_1 file. If some modeled species are not contained in this file, the boundary condition for these species will default to the value 1 × 10e-30. The perimeter of the CMAQ domain is NTHIK cell wide (typically NTHIK = 1), where the number of boundary cells = NTHIK\\*(2\\*NCOLS + 2\\*NROWS +4\\*NTHIK).\r\n\r\n## 4.7 Meteorological Inputs (Processed for the CMAQ System using MCIP)\r\n\r\n\r\n\r\n\r\n\r\n\r\n\r\n\r\n\r\n\r\n\r\n\r\n\r\n\r\n```\r\n**_MCIP output files generated when IOFORM=1 (Models-3 I/O API)_**\r\n- GRIDDESC: Grid description used throughout the CMAQ System\r\n- GRID_CRO_2D: Time-invariant 2D fields (XY) at cell centers (cross points)\r\n- GRID_BDY_2D: Time-invariant fields from GRID_CRO_2D, but along domain lateral boundaries\r\n- GRID_DOT_2D: Time-invariant 2D fields (XY) at cell corners (dot points) and cell faces\r\n- MET_CRO_2D: Time-varying 2D fields (XY) at cell centers (cross points)\r\n- MET_CRO_3D: Time-varying 3D fields (XYZ) at cell centers (cross points)\r\n- MET_BDY_3D: Time-varying fields from MET_CRO_3D, but along domain lateral boundaries\r\n- MET_DOT_3D: Time-varying 3D fields (XYZ) at cell corners (dot points) and cell faces\r\n- LUFRAC_CRO: Time-invariant 3D fractional land use (XYL) at cell corners (cross points)\r\n- SOI_CRO: Time-varying 3D soil moisture and temperature (XYS) in model soil layers at cell centers\r\n- MOSAIC_CRO: Time-varying 3D surface fields by mosaic land use category (XYM) at cell centers\r\n\r\n**_MCIP output files generated when IOFORM=2 (netCDF)_**\r\n- GRIDDESC: Grid description used throughout the CMAQ System\r\n- mcip.nc: All time-invariant and time-varying 2D and 3D fields (all dimensions)\r\n- mcip_bdy.nc: All required time-invariant and time-varying 2D and 3D fields along lateral boundaries\r\n```\r\n\r\n\r\n\r\n[Return to Table 4-1](#grid_cro_2d_t)\r\n\r\n\r\n\r\nUsed by: ICON, BCON, CCTM, and some optional programs\r\n\r\n\r\n\r\n**Table 4-3** MCIP output variables used within the CMAQ system. All fields are located at cell centers, except where noted in the Description. The Dimensions are: XY=horizontal, T=time-varying, Z=layers above ground, S=layers below ground, L=land use categories, M=mosaic land use categories.\r\n\r\n|**Variable Name**|**Description**|**Units**|**Dimensions**|**File**|**Required**|\r\n|--------|---------------|--------------|----------|------------|----------|\r\n|LAT|latitude|degrees, where Northern Hemisphere is positive|XY|GRIDCRO2D and GRIDBDY2D, or mcip.nc and mcip_bdy.nc|yes|\r\n|LON|longitude|degrees, where Western Hemisphere is negative|XY|GRIDCRO2D and GRIDBDY2D, or mcip.nc and mcip_bdy.nc|yes|\r\n|MSFX2|squared map-scale factor|m2 m-2|XY|GRIDCRO2D and GRIDBDY2D, or mcip.nc and mcip_bdy.nc|yes|\r\n|HT|terrain elevation|m|XY|GRIDCRO2D and GRIDBDY2D, or mcip.nc and mcip_bdy.nc|yes|\r\n|DLUSE|dominant land use|category|XY|GRIDCRO2D and GRIDBDY2D, or mcip.nc and mcip_bdy.nc|yes|\r\n|LWMASK|land-water mask|1=land, 0=water|XY|GRIDCRO2D and GRIDBDY2D, or mcip.nc and mcip_bdy.nc|yes|\r\n|PURB|urban percent of cell based on land coverage|percent|XY|GRIDCRO2D and GRIDBDY2D, or mcip.nc and mcip_bdy.nc|no, but refines vertical mixing in urban areas|\r\n|LUFRAC|fraction of land use by category|1|XYL|LUFRACCRO or mcip.nc|yes|\r\n|LATD|latitude|degrees, where Northern Hemisphere is positive (at cell corners)|XY|GRIDDOT2D or mcip.nc|no|\r\n|LOND|longitude|degrees, where Western Hemisphere is negative (at cell corners)|XY|GRIDDOT2D or mcip.nc|no|\r\n|MSFD2|squared map scale factor|m2 m-2 (at cell corners)|XY|GRIDDOT2D or mcip.nc|no|\r\n|LATU|latitude|degrees, where Northern Hemisphere is positive (at cell west-east faces)|XY|GRIDDOT2D or mcip.nc|no|\r\n|LONU|longitude|degrees, where Western Hemisphere is negative (at cell west-east faces)|XY|GRIDDOT2D or mcip.nc|no|\r\n|MSFU2|squared map scale factor|m2 m-2 (at cell west-east faces)|XY|GRIDDOT2D or mcip.nc|yes|\r\n|LATV|latitude|degrees, where Northern Hemisphere is positive (at cell south-north faces)|XY|GRIDDOT2D or mcip.nc|no|\r\n|LONV|longitude|degrees, where Western Hemisphere is negative (at cell south-north faces)|XY|GRIDDOT2D or mcip.nc|no|\r\n|MSFV2|squared map scale factor|m2 m-2 (at cell south-north faces)|XY|GRIDDOT2D or mcip.nc|yes|\r\n|PRSFC|surface pressure|Pa|XYT|METCRO2D or mcip.nc|yes|\r\n|USTAR|cell-averaged horizontal friction velocity|m s-1|XYT|METCRO2D or mcip.nc|yes|\r\n|WSTAR|convective velocity scale|m s-1|XYT|METCRO2D or mcip.nc|yes|\r\n|PBL|planetary boundary layer height|m|XYT|METCRO2D or mcip.nc|yes|\r\n|ZRUF|surface roughness length|m|XYT|METCRO2D or mcip.nc|yes|\r\n|MOLI|inverse Monin-Obukhov length|m-1|XYT|METCRO2D or mcip.nc|yes|\r\n|HFX|sensible heat flux|W m-2|XYT|METCRO2D or mcip.nc|yes|\r\n|LH|latent heat flux|W m-2|XYT|METCRO2D or mcip.nc|yes|\r\n|RADYNI|inverse aerodynamic resistance|m s-1|XYT|METCRO2D or mcip.nc|yes|\r\n|RSTOMI|inverse bulk stomatal resistance|m s-1|XYT|METCRO2D or mcip.nc|yes|\r\n|TEMPG|skin temperature at ground|K|XYT|METCRO2D or mcip.nc|yes|\r\n|TEMP2|2-m temperature|K|XYT|METCRO2D or mcip.nc|yes|\r\n|Q2|2-m water vapor mixing ratio|kg kg-1|XYT|METCRO2D or mcip.nc|yes|\r\n|WSPD10|10-m wind speed|m s-1|XYT|METCRO2D or mcip.nc|yes|\r\n|WDIR10|10-m wind direction|degrees|XYT|METCRO2D or mcip.nc|no|\r\n|GLW|longwave radiation at ground|W m-2|XYT|METCRO2D or mcip.nc|yes|\r\n|GSW|solar radiation absorbed at ground|W m-2|XYT|METCRO2D or mcip.nc|yes|\r\n|RGRND|solar radiation reaching the surface|W m-2|XYT|METCRO2D or mcip.nc|yes|\r\n|RN|incremental (per output time step) nonconvective precipitation|cm|XYT|METCRO2D or mcip.nc|yes|\r\n|RC|incremental (per output time step) convective precipitation|cm|XYT|METCRO2D or mcip.nc|yes|\r\n|CFRAC|total column integrated cloud fraction|1|XYT|METCRO2D or mcip.nc|yes, if photolysis uses the table option in CCTM|\r\n|CLDT|cloud layer top height|m|XYT|METCRO2D or mcip.nc|yes, if photolysis uses the table option in CCTM|\r\n|CLDB|cloud layer bottom height|m|XYT|METCRO2D or mcip.nc|yes, if photolysis uses the table option in CCTM|\r\n|WBAR|average liquid water content of cloud|g m-3|XYT|METCRO2D or mcip.nc|yes, if photolysis uses the table option in CCTM|\r\n|SNOCOV|snow cover|1=yes, 0=no|XYT|METCRO2D or mcip.nc|yes|\r\n|VEG|vegetation coverage|1|XYT|METCRO2D or mcip.nc|yes|\r\n|LAI|leaf-area index|m2 m-2|XYT|METCRO2D or mcip.nc|yes|\r\n|WR|canopy moisture content|m|XYT|METCRO2D or mcip.nc|yes|\r\n|SEAICE|sea ice|1|XYT|METCRO2D or mcip.nc|yes|\r\n|SNOWH|snow height|m|XYT|METCRO2D or mcip.nc|yes|\r\n|SOIM1|volumetric soil moisture in top cm|m3 m-3|XYT|METCRO2D or mcip.nc|yes, but preferred to use from SOIM3D|\r\n|SOIM2|volumetric soil moisture in top m|m3 m-3|XYT|METCRO2D or mcip.nc|yes, but preferred to use from SOIM3D|\r\n|SOIT1|soil temperature in top cm|K|XYT|METCRO2D or mcip.nc|yes, but preferred to use from SOIT3D|\r\n|SOIT2|soil temperature in top m|K|XYT|METCRO2D or mcip.nc|yes, but preferred to use from SOIT3D|\r\n|SLTYP|soil texture type|1|XYT|METCRO2D or mcip.nc|yes|\r\n|WWLT_PX|soil wilting point from PX LSM|m3 m-3|XYT|METCRO2D or mcip.nc|no, but used if available|\r\n|WFC_PX|soil field capacity from PX LSM|m3 m-3|XYT|METCRO2D or mcip.nc|no, but used if available|\r\n|WSAT_PX|soil saturation from PX LSM|m3 m-3|XYT|METCRO2D or mcip.nc|no, but used if available|\r\n|CLAY_PX|clay from PX LSM|1|XYT|METCRO2D or mcip.nc|no, but used if available|\r\n|CSAND_PX|coarse sand from PX LSM|1|XYT|METCRO2D or mcip.nc|no, but used if available|\r\n|FMSAND_PX|fine-medium sand from PX LSM|1|XYT|METCRO2D or mcip.nc|no, but used if available|\r\n|JACOBF|total Jacobian at layer face|m|XYZT|METCRO3D and METBDY3D, or mcip.nc and mcip_bdy.nc|yes|\r\n|JACOBM|total Jacobian at layer middle|m|XYZT|METCRO3D and METBDY3D, or mcip.nc and mcip_bdy.nc|yes|\r\n|DENSA_J|Jacobian-weighted total air density|kg m-2|XYZT|METCRO3D and METBDY3D, or mcip.nc and mcip_bdy.nc|yes|\r\n|WHAT_JD|Jacobian- and density-weighted vertical contravariant velocity|kg m-1 s-1|XYZT|METCRO3D and METBDY3D, or mcip.nc and mcip_bdy.nc|yes|\r\n|TA| air temperature|K|XYZT|METCRO3D and METBDY3D, or mcip.nc and mcip_bdy.nc|yes|\r\n|QV| water vapor mixing ratio|kg kg-1|XYZT|METCRO3D and METBDY3D, or mcip.nc and mcip_bdy.nc|yes|\r\n|PRES| air pressure|Pa|XYZT|METCRO3D and METBDY3D, or mcip.nc and mcip_bdy.nc|yes|\r\n|DENS| air density|kg m-3|XYZT|METCRO3D and METBDY3D, or mcip.nc and mcip_bdy.nc|yes|\r\n|WWIND| vertical velocity|m s-1|XYZT|METCRO3D and METBDY3D, or mcip.nc and mcip_bdy.nc|yes|\r\n|ZH|mid-layer height above ground|m|XYZT|METCRO3D and METBDY3D, or mcip.nc and mcip_bdy.nc|yes|\r\n|ZF|full layer height above ground|m|XYZT|METCRO3D and METBDY3D, or mcip.nc and mcip_bdy.nc|yes|\r\n|TKE|turbulent kinetic energy|J kg-1|XYZT|METCRO3D and METBDY3D, or mcip.nc and met_bdy.nc|no|\r\n|PV|potential vorticity|m2 K kg-1 s-1 x 10-6|XYZT|METCRO3D and METBDY3D, or mcip.nc and mcip_bdy.nc|no, but required for PV scaling|\r\n|WWIND|vertical velocity|m s-1|XYZT|METCRO3D and METBDY3D, or mcip.nc and mcip_bdy.nc|no|\r\n|CFRAC_3D|3D resolved cloud fraction|1|XYZT|METCRO3D and METBDY3D, or mcip.nc and mcip_bdy.nc|no, but used if available|\r\n|QC|cloud water mixing ratio|kg kg-1|XYZT|METCRO3D and METBDY3D, or mcip.nc and mcip_bdy.nc|yes|\r\n|QR|rain water mixing ratio|kg kg-1|XYZT|METCRO3D and METBDY3D, or mcip.nc and mcip_bdy.nc|yes|\r\n|QI|ice mixing ratio|kg kg-1|XYZT|METCRO3D and METBDY3D, or mcip.nc and mcip_bdy.nc|no, but used if available|\r\n|QS|snow mixing ratio|kg kg-1|XYZT|METCRO3D and METBDY3D, or mcip.nc and mcip_bdy.nc|no, but used if available|\r\n|QG|graupel mixing ratio|kg kg-1|XYZT|METCRO3D and METBDY3D, or mcip.nc and mcip_bdy.nc|no, but used if available|\r\n|QC_CU|subgrid cloud water mixing ratio from KF|kg kg-1|XYZT|METCRO3D and METBDY3D, or mcip.nc and mcip_bdy.nc|no; only output if available from WRF; for future development|\r\n|QI_CU|subgrid cloud ice mixing ratio from KF|kg kg-1|XYZT|METCRO3D and METBDY3D, or mcip.nc and mcip_bdy.nc|no; only output if available from WRF; for future development|\r\n|CLDFRA_DP|subgrid deep cloud fraction|1|XYZT|METCRO3D and METBDY3D, or mcip.nc and mcip_bdy.nc|no; only output if available from WRF; for future development|\r\n|CLDFRA_SH|subgrid shallow cloud fraction|1|XYZT|METCRO3D and METBDY3D, or mcip.nc and mcip_bdy.nc|no; only output if available from WRF; for future development|\r\n|UWIND|u-component of horizontal wind (cell corners)|m s-1|XYZT|METDOT3D or mcip.nc|no|\r\n|VWIND|v-component of horizontal wind (cell corners)|m s-1|XYZT|METDOT3D or mcip.nc|no|\r\n|UHAT_JD|contravariant-U x Jacobian x density|kg m-1 s-1 [cell faces; Arakawa-C grid]|XYZT|METDOT3D or mcip.nc|yes|\r\n|VHAT_JD|contravariant-V x Jacobian x density|kg m-1 s-1 [cell faces; Arakawa-C grid]|XYZT|METDOT3D or mcip.nc|yes|\r\n|UWINDC|u-component of horizontal wind (west-east cell faces)|m s-1|XYZT|METDOT3D or mcip.nc|yes|\r\n|VWINDC|v-component of horizontal wind (south-north cell faces)|m s-1|XYZT|METDOT3D or mcip.nc|yes|\r\n|SOIT3D|soil temperature|K|XYST|SOICRO or mcip.nc|yes|\r\n|SOIM3D|soil moisture|kg kg-1|XYST|SOICRO or mcip.nc|yes|\r\n|LUFRAC2|fractional land use in mosaic categories|1|XYM|MOSAICCRO or mcip.nc|no, but can be used with STAGE deposition|\r\n|MOSCAT|mosaic land use categories|1|XYM|MOSAICCRO or mcip.nc|no, but can be used with STAGE deposition|\r\n|LAI_MOS|leaf area index (by mosaic categories)|m2 m-2|XYMT|MOSAICCRO or mcip.nc|no, but can be used with STAGE deposition|\r\n|RAI_MOS|inverse of aerodynamic resistance (by mosaic categories)|m s-1|XYMT|MOSAICCRO or mcip.nc|no, but can be used with STAGE deposition|\r\n|RSI_MOS|inverse of stomatal resistance (by mosaic categories)|m s-1|XYMT|MOSAICCRO or mcip.nc|no, but can be used with STAGE deposition|\r\n|TSK_MOS|skin temperature (by mosaic categories)|K|XYMT|MOSCRO or mcip.nc|no, but can be used with STAGE deposition|\r\n|ZNT_MOS|roughness length (by mosaic categories)|m|XYMT|MOSCRO or mcip.nc|no, but can be used with STAGE deposition|\r\n\r\n\r\n\r\n## 4.8 Emissions Inputs\r\n\r\n\r\n\r\n**DESID_Ctrl_nml: DESID Control Namelist**\r\n\r\n\r\n\r\n[Return to Table 4-1](#desidctrl_t)\r\n\r\n\r\n\r\nIn addition to the options available in the RunScript, CMAQ now reads dedicated namelists in order to apply comprehensive rules for reading and scaling emissions. The first of these namelists, called the DESID Control Namelist is named \"CMAQ_Control_DESID.nml\" by default. This namelist is stored in the repo in the emissions source code folder and is copied into the user's build directory when bldit_cctm.csh is executed. If the user modifies the name or location of this namelist, then the following command in the RunScript should be updated as well:\r\n```\r\nsetenv DESID_CTRL_NML ${BLD}/CMAQ_DESID_Ctrl.nml\r\n```\r\n\r\nThe Detailed Emissions Scaling, Isolation and Diagnostics (DESID) module included with CMAQv5.3 and beyond provides comprehensive customization and transparency of emissions manipulation to the user. The customization of emissions is accomplished via two namelist files, the first of which is the DESID Control Namelist. This namelist contains several sections of distinct options that modify the behavior of the emissions module. These include ***Desid_Options***, ***Area Normalization***, ***Size Distributions***, ***Region Definitions***, ***Stream Family Definitions***, and ***Diagnostic Output Options***.\r\n\r\n* [Jump to DESID Tutorial](Tutorials/CMAQ_UG_tutorial_emissions.md) for step by step instructions on performing some basic manipulation of emission streams.\r\n* [Jump to Emissions overview](CMAQ_UG_ch06_model_configuration_options.md) in Chapter 6 of this User's Guide.\r\n \r\n\r\n**DESID_Chem_Ctrl_nml: DESID Chemical Mapping Control Namelist**\r\n\r\n\r\n\r\n\r\n[Return to Table 4-1](#desidchemctrl_t)\r\n\r\n\r\n\r\nThe second namelist used for specifying DESID operations is the DESID Chemical Mapping Control namelist, named \"CMAQ_Control_DESID_[mech]\". By default, every mechanism has its own version of this namelist because each is preloaded with likely rules linking emissions of important CMAQ primary species to their typical surrogate names as output by SMOKE. By default, this namelist is stored in each chemical mechanism folder (e.g. MECHS/cb6r3_ae7_aq) and is copied into the user's build directory when bldit_cctm.csh is executed. If the user modifies the name or location of this namelist, then the following command in the RunScript should be updated as well:\r\n```\r\nsetenv DESID_CHEM_CTRL_NML ${BLD}/CMAQ_Control_DESID_[mech].nml\r\n```\r\n\r\nThis file contains only one section, the chemical mapping table, which link chemical variables on the emissions streams (external files or online processes) to CMAQ species, and offers scaling capabilities, geographic specicficity with the regions functionalities, size distribution customization, and the use of chemical families.\r\n\r\n* [Jump to DESID Tutorial](Tutorials/CMAQ_UG_tutorial_emissions.md) for step by step instructions on performing some basic manipulation of emission streams.\r\n* [Jump to Emissions overview](CMAQ_UG_ch06_model_configuration_options.md) in Chapter 6 of this User's Guide.\r\n\r\n\r\n**GR_EMIS_XXX: Emissions**\r\n\r\n\r\n\r\n[Return to Table 4-1](#emis_xxx_t)\r\n\r\n\r\n\r\nUsed by: CCTM\r\n\r\nCMAQ may accept emissions inputs from a variety of emissions models and preprocessors, as long as the input files created are compatible with I/O API format. The most commonly used software for preparing emissions inputs is the Sparse Matrix Operator Kernel Emissions (SMOKE) modeling system, which is a collection of programs that separately process and merge emissions data for each emissions stream for input to air quality models.\r\n\r\nThe emissions file provides primary pollutant emission rates by model grid cell and time. The file type is GRDDED3, and the units are in moles per second (moles s-1) for gas-phase species and grams per second (g s-1) for aerosol species. The file data are looped as follows: by column, by row, by layer, by variable, and by input time step. Elevated source emission rates may be provided to CCTM as vertically resolved emissions if the GR_EMIS_XXX file is 3D. The gridded emissions files should be assigned three-digit numeric suffixes to identify them. This suffix is used to link the emission filename to user-defined stream labels and other options (e.g. GR_EMIS_LAB_XXX, GR_EM_DTOVRD_XXX). Linking and modifying emissions streams is discussed further in [Chapter 6](CMAQ_UG_ch06_model_configuration_options.md).\r\n\r\nStarting in CMAQv5.3, users can run with as many gridded emission files as desired, including zero files. Make sure the N_EMIS_GR runtime variable is set to reflect the number of gridded emission files.\r\n\r\n\r\n\r\n**STK_GRPS_XXX: Stack groups**\r\n\r\n\r\n\r\n[Return to Table 4-1](#stk_grps_t)\r\n\r\n\r\n\r\nUsed by: CCTM inline emissions version only\r\n\r\nThe XXX mark is unique and represents the stream identification. Make sure the N_EMIS_PT runtime variable is set to reflect the total number of inline emission streams.\r\n\r\nThe stack groups file is an I/O API file containing stack parameters for elevated sources. This file can be created using the SMOKE program ELEVPOINT. For additional information about creating the stack groups file, see the [ELEVPOINT documentation](https://www.cmascenter.org/smoke/documentation/4.0/html/ch06s03.html) in the SMOKE user’s manual.\r\n\r\n\r\n\r\n**STK_EMIS_XXX: Point source emissions**\r\n\r\n\r\n\r\n[Return to Table 4-1](#stk_emis_t)\r\n\r\n\r\n\r\nUsed by: CCTM inline emissions version only\r\n\r\nThe XXX mark is unique and represents the stream identification. Make sure the N_EMIS_PT runtime variable is set to reflect the total number of inline emission streams.\r\n\r\nThe elevated-point-source emissions file is an I/O API GRDDED3 file with emissions for point sources to be treated as elevated sources by CCTM. The emissions in this file are distributed through the vertical model layers using a plume-rise algorithm contained in CCTM. The elevated-point-source emissions file can be creating using SMOKE. For additional information about preparing point-source emissions for using the CMAQ inline plume rise calculation, see the [ELEVPOINT documentation](https://www.cmascenter.org/smoke/documentation/4.0/html/ch06s03.html) in the SMOKE user’s manual.\r\n\r\n\r\n\r\n**NLDN_STRIKES: Hourly observed lightning strikes**\r\n\r\n\r\n\r\n[Return to Table 4-1](#nldn_strikes_t)\r\n\r\n\r\n\r\nUsed by: CCTM lightning NOx version only\r\n\r\nThe NLDN lightning strikes file is used for calculating online NO emissions from hourly observed strike counts. (Hourly NLDN lightning strike data can be purchased from a private vendor.) This file contains the following variables interpolated to the modeling grid:\r\n\r\n\r\n\r\n **Table 4-4** Variables in hourly observed lightning strike file.\r\n\r\n|**Variable Name**|**Description**|**Units**|**Required**|\r\n |--------|-------------------|--------------|-----------|\r\n |LNT|hourly flash counts per sq. km.|km-2|yes|\r\n\r\n\r\n\r\nUse of lightning strike data in CMAQ simulations is discussed further in [Chapter 6](CMAQ_UG_ch06_model_configuration_options.md).\r\n\r\n**LTNGPARMS_FILE: Lightning parameters file**\r\n\r\n\r\n\r\n[Return to Table 4-1](#ltngparm_file_t)\r\n\r\n\r\n\r\nUsed by: CCTM lightning NOx version only\r\n\r\nThe lightning parameters file is used for calculating online NO emissions from hourly observed strike counts. \r\nThis file can be downloaded from the [CMAS Data Warehouse](https://drive.google.com/drive/folders/1R8ENVSpQiv4Bt4S0LFuUZWFzr3-jPEeY). \r\n\r\nThis file contains the following variables interpolated to the modeling grid:\r\n\r\n\r\n\r\n**Table 4-5** Variables in lightning parameters file.\r\n\r\n|**Variable Name**|**Description**|**Units**|**Required**|\r\n|--------|---------------|--------------|-----------|\r\n| SLOPE|linear equation parameter for estimating lightning flash count from hourly convective precipitation|unitless|yes|\r\n|INTERCEPT| linear equation parameter for lightning flash count from hourly convective precipitation|km-2*|yes|\r\n|SLOPE_lg| logarithmic equation parameter for estimating lightning flash count from hourly convective precipitation|unitless|yes|\r\n|INTERCEPT_lg| logarithmic equation parameter for estimating lightning flash count from hourly convective precipitation|km-2*|yes|\r\n|ICCG_SUM| Ratio of intercloud to cloud-to-ground flashes during the summer season|unitless|yes|\r\n|ICCG_WIN| Ratio of intercloud to cloud-to-ground flashes during the winter season|unitless|yes|\r\n|OCNMASK| Land/water mask to remove spurious flashes over the ocean|unitless|yes|\r\n\r\n*Regression equation generates flash counts (or log flash counts) per square km per cm convectic precipitation.\r\n\r\nUse of lightning strike data in CMAQ simulations is discussed further in [Chapter 6](CMAQ_UG_ch06_model_configuration_options.md).\r\n\r\n## 4.9 Biogenic and Land Surface Inputs\r\n\r\n\r\n\r\n**OCEAN_1: Sea spray mask**\r\n\r\n\r\n\r\n[Return to Table 4-1](#ocean_1_t)\r\n\r\n\r\n\r\nUsed by: CCTM\r\n\r\nThe CMAQ sea spray emissions module requires the input of an ocean mask file (OCEAN). OCEAN is a time-independent I/O API file that identifies the fractional [0-1] coverage in each model grid cell allocated to open ocean (OPEN) or surf zone (SURF). The CCTM uses this coverage information to calculate sea spray emission fluxes from the model grid cells online during a CCTM run. \r\n\r\nAdditionally, CMAQ's gas-phase chemical mechanisms except cb6r5m_ae7_aq contain an effective first order halogen mediated ozone loss over the ocean (where OPEN + SURF > 0.0). The OCEAN file is also required for this process. The cb6r5m_ae7_aq mechanism contains bromine, iodine and DMS chemistry and requires the OCEAN file with two additional variables: DMS (monthly mean climatological DMS concentrations in seawater) and CHLO (monthly mean climatological chlorophyll concentration). The cb6r5_ae7_aq mechanism contains DMS chemistry and requires the OCEAN file with DMS (monthly mean climatological DMS concentration in seawater).\r\n\r\n\r\nSee the [CMAQ Ocean File Tutorial](Tutorials/CMAQ_UG_tutorial_oceanfile.md) for step by step instructions on creating this file and for adding DMS and CHLO to the ocean files. \r\n\r\n\r\n**GSPRO: Speciation profiles**\r\n\r\n[Return to Table 4-1](#gspro_t)\r\n\r\n\r\nUsed by: CCTM online BEIS biogenics emissions version only\r\n\r\nThe speciation profile file, GSPRO, contains the factors that are used to separate aggregated inventory pollutant emissions totals into emissions of model species in the form required by CMAQ. If only biogenic emissions are being calculated online in CMAQ, the GSPRO file used by CCTM needs to contain split factors only for the biogenic VOC emissions that are input in the B3GRD file. If other emissions sources are being calculated by CCTM, VOC split factors for these other sources must be included in the GSPRO file. The GSPRO file format is listed in the SMOKE user’s manual, see: [GSPRO documentation](https://www.cmascenter.org/smoke/documentation/4.0/html/ch08s05s02.html).\r\n\r\n\r\n**BEIS_NORM_EMIS: Gridded, normalized biogenic emissions**\r\n\r\n[Return to Table 4-1](#beis_norm_emis)\r\n\r\n\r\nUsed by: CCTM online BEIS biogenics emissions version only\r\n\r\nAn I/O API GRDDED3 file of gridded, normalized biogenic emissions (in grams of carbon or nitrogen per hour, depending on the species) and leaf area index. The BEIS_NORM_EMIS file contains normalized emissions calculated with both summer and winter emissions factors. The B3GRD file is generated with the SMOKE program NORMBEIS4 using gridded land use data. For additional information about creating the BEIS_NORM_EMIS file, see the [NORMBEIS4 documentation](https://www.cmascenter.org/smoke/documentation/4.9/html/ch07s11.html) in the SMOKE users’ manual.\r\n\r\n\r\n**MEGAN_CTS: canopy types**\r\n\r\n[Return to Table 4-1](#megan_cts_t)\r\n\r\n\r\nUsed by: CCTM online MEGAN biogenics emissions version only\r\n\r\nThe MEGAN_CTS file is an I/O API GRDDED3 file that is created using the MEGAN preprocessor. It contains canopy fraction information for six canopy types in one variable, CTS, which is nondimensional and ranges from 0-100. The vegetation types are needleleaf trees, tropical forest trees, temperate broadleaf trees, shrubs, herbaceous plants, and crops. \r\n\r\n\r\n**MEGAN_LDF: light dependence**\r\n\r\n[Return to Table 4-1](#megan_ldf_t)\r\n\r\n\r\nUsed by: CCTM online MEGAN biogenics emissions version only\r\n\r\nThe MEGAN_LDF file is an I/O API GRDDED3 file that is created using the MEGAN preprocessor. It contains nondimensional light dependence fractions for 4 of the 19 MEGAN chemical species. \r\n\r\n\r\n**MEGAN_EFS: emission factors**\r\n\r\n[Return to Table 4-1](#megan_efs_t)\r\n\r\n\r\nUsed by: CCTM online MEGAN biogenics emissions version only\r\n\r\nThe MEGAN_EFS file is an I/O API GRDDED3 file that is created using the MEGAN preprocessor. It contains emission factors for the 19 MEGAN chemical species. \r\n\r\n\r\n**MEGAN_LAI: leaf area index**\r\n\r\n[Return to Table 4-1](#megan_lai_t)\r\n\r\n\r\nUsed by: CCTM online MEGAN biogenics emissions version only\r\n\r\nThe MEGAN_LAI file is an I/O API GRDDED3 file that is created using the MEGAN preprocessor. It contains leaf area index that is separate from LAI values used in the rest of CMAQ. By default MEGAN will use this file for LAI, but users can choose to use the LAI values that are read in from MCIP files by setting the environmental variable USE_MEGAN_LAI to N in their run script. \r\n\r\n\r\n**BDSNP_AFILE: arid flag**\r\n\r\n[Return to Table 4-1](#megan_arid_t)\r\n\r\n\r\nUsed by: CCTM online MEGAN biogenics emissions' BDSNP soil nitrogen model option\r\n\r\nThe BDSNP_AFILE file is an I/O API GRDDED3 file that is created using the MEGAN preprocessor for use with the BDSNP soil nitrogen option. It identifies climatically arid grid cells with 1s and 0s. \r\n\r\n\r\n\r\n**BDSNP_NAFILE: nonarid flag**\r\n\r\n[Return to Table 4-1](#megan_nonarid_t)\r\n\r\n\r\nUsed by: CCTM online MEGAN biogenics emissions' BDSNP soil nitrogen model option\r\n\r\nThe BDSNP_NAFILE file is an I/O API GRDDED3 file that is created using the MEGAN preprocessor for use with the BDSNP soil nitrogen option. It identifies climatically non-arid grid cells with 1s and 0s. \r\n\r\n\r\n\r\n**BDSNP_LFILE: landfile type**\r\n\r\n[Return to Table 4-1](#megan_landtype_t)\r\n\r\n\r\nUsed by: CCTM online MEGAN biogenics emissions' BDSNP soil nitrogen model option\r\n\r\nThe BDSNP_LFILE file is an I/O API GRDDED3 file that is created using the MEGAN preprocessor for use with the BDSNP soil nitrogen option. It assigns each grid cell to one of 24 land types.\r\n\r\n\r\n**BDSNP_FFILE: fertilizer reservoir**\r\n\r\n[Return to Table 4-1](#megan_fert_t)\r\n\r\n\r\nUsed by: CCTM online MEGAN biogenics emissions' BDSNP soil nitrogen model option\r\n\r\nThe BDSNP_FFILE file is an I/O API GRDDED3 file that is created using the MEGAN preprocessor for use with the BDSNP soil nitrogen option. It contains daily fertilizer information in ng N/m2 using 366 variables. \r\n\r\n\r\n\r\n**BDSNP_NFILE: nitrogen deposition**\r\n\r\n[Return to Table 4-1](#megan_ndf_t)\r\n\r\n\r\nUsed by: CCTM online MEGAN biogenics emissions' BDSNP soil nitrogen model option\r\n\r\nThe BDSNP_NFILE file is an I/O API GRDDED3 file that is created using the MEGAN preprocessor for use with the BDSNP soil nitrogen option. It contains monthly average nitrogen deposition values in ng/m2/s using 12 variables. \r\n\r\n\r\n\r\n**E2C_LU Fractional crop distributions**\r\n\r\n[Return to Table 4-1](#e2c_lu_t)\r\n\r\n\r\nUsed by: CCTM bidirectional NH3 flux version only\r\n\r\nLand use data including fractional crop and tree distributions gridded to the modeling domain. This data set is created when generating the land use data for EPIC simulations over the conterminous U.S. domain by the BELD4 Data Generation tool in the FEST-C interface. Detailed information on the tool and FEST-C interface are available at https://www.cmascenter.org/fest-c/. \r\n\r\n\r\n\r\n**E2C_SOIL EPIC soil properties**\r\n\r\n[Return to Table 4-1](#e2c_soil_t)\r\n\r\n\r\nUsed by: CCTM bidirectional NH3 flux version only\r\n\r\nThis 3-D file is created by the EPIC to CMAQ tool via the FEST-C interface. It contains soil properties for Layer 1 (0 to 1 cm depth) and Layer 2 (1 cm to 100 cm depth) and for each crop in grid cells with agricultural land. Additional information on the EPIC simulation and the FEST-C interface are available at https://www.cmascenter.org/fest-c/. \r\n\r\n\r\n**E2C_CHEM EPIC crop types and fertilizer application**\r\n\r\n[Return to Table 4-1](#e2c_chem_t)\r\n\r\n\r\nUsed by: CCTM bidirectional NH3 flux version only\r\n\r\nThis is a 3-D daily file created by the EPIC to CMAQ tool via the FEST-C interface. The tool extracts EPIC simulated soil chemistry information including fertilization for the Layer 1 and Layer 2 soil profiles along with plant growth information in each grid cell with agricultural land. The FEST-C interface facilitates EPIC simulations for any CMAQ modeling domain over the conterminous U.S. area. Additional information on the EPIC simulation and the FEST-C interface are available at https://www.cmascenter.org/fest-c/. \r\n\r\n## STAGE Deposition Option\r\n\r\n\r\n\r\n**STAGECTRL_NML: STAGE Control Namelist**\r\n\r\n\r\n[Return to Table 4-1](#stagectrl_nml)\r\n\r\n\r\n**Table 4-6** Variables in the STAGE_DATA section of STAGECTRL_NML.\r\n\r\n|**Variable Name**|**Description**|**Units**|\r\n|--------|---------------|--------------|\r\n|Species Name | Deposited species name from the GR, NR, or TR namelists|unitless|\r\n|rel_rx| Relative reactivity for resistance estimates for cuticular and soil surfaces | unitless |\r\n|f0| Wesely (1989) mesophyll resistance parameter | unitless |\r\n|Molar Vol| The LeBas molar volume of the trace gas |L mol-1|\r\n|Mass accommodation coef| The probability that a trace gas molecule is incorporated into a wet surface |unitless|\r\n\r\nThe STAGE_DATA section allows for the user to add species that exist in GC,TR, or NR namelists to dry deposition estiamtes without the need to recompile CMAQ. \r\n\r\n**Table 4-7** Variables in the STAGE_LU section of STAGECTRL_NML.\r\n|**Variable Name**|**Description**|**Units**|\r\n|--------|---------------|--------------|\r\n| Land Use Name | Name of the sub-grid land use | unitless |\r\n| Land Use Tag | Name of the land use tag for aggrigating data1 | unitless |\r\n| RSMIN | Minimum stomatal resistance of the land use2 | s m-1 |\r\n| Z0 | Momentum roughness lenght of the land use | m |\r\n| Max VEG | Maximum vegetation coverage of the land use taken from the MODIS MCD12Q1 documentation | % |\r\n| Min VEG | Minimum vegetation coverage of the land use taken from the MODIS MCD12Q1 documentation | % |\r\n| Max VEG | Maximum single sided leaf area index of the vegetated fraction of the land use | ratio |\r\n| Min VEG | Minimum single sided leaf area index of the vegetated fraction of the land use | ratio |\r\n| Ground NH3 Gam | NH3 emissions potential of the non-vegetated surface, e.g. leaf litter, soil, etc.3 | mol NH3 (mol H)-1 |\r\n| Veg NH3 Gam | NH3 emissions potential of the leaf mesophyll3 | mol NH3 (mol H)-1 |\r\n| Soil Hg | Soil Hg content of the land use4 | micro mol Hg (g soil)-1 |\r\n| Leaf Width | Aerodynamic leaf width | m |\r\n| Alpha | Zhang et al. 2001 land use parameter for aerosol dry deposition | unitless |\r\n| BAI | Building area index | ratio |\r\n| Ahair | Leaf hair width | m |\r\n| Fhair | Ratio of leaf covered in hair | ratio |\r\n| Aleaf | Pleim et al. 2022 aerodynamic leaf width | m |\r\n| LU Index | STAGE land use index for mapping | unitless |\r\n\r\n1 Available land use tags are WATER, AG, AGMOS, HAY, URBAN, DECFORB, DECFORN, EVEFORB, EVEFORN, MIXFOR, HERB, SHRUB, GRASS, and WETLAND\r\n2 This is used relatively preserving the area averaged stomatal resistance from the meteorological model\r\n3 Used in NH3 the bidirectional exchange option.\r\n4 Used in Hg the bidirectional exchange option.\r\n\r\nSTAGE is a tiled surface exchange option that estimates deposition and emissions by land use and area weights them to the grid cell. There is the option to develop custom land use mappings to reduce the redundancy in model calculations and allow the user to customize land use specific deposition for their specific ecosystem exposure or deposition needs. The MET_TO_STAGE_LU section of CMAQ_Control_STAGE namelist allows for the mapping of the meteorological model’s land use data to the user defined STAGE land use categories. These tables have been populated for WRF implimentations of MODIS, NLCD and USGS land use types and require no further modification for the default land use mapping. \r\n\r\n**Table 4-8** Variables in the MET_TO_STAGE_LU section of STAGECTRL_NML.\r\n|**Variable Name**|**Description**|\r\n|---------------|-----------------------------|\r\n| Met_LU_Name | Name of the meteorological land use variable in LUFRAC_CRO (for documentation only) |\r\n| Met_Index | Layer of the meteorological land use variable in LUFRAC_CRO |\r\n| STAGE_LU_name | Name of the STAGE land use variable in the Land Use Name column of the STAGE_LU section of STAGECTRL_NML|\r\n| STAGE_Index | Layer of the STAGE land use variable in the LU Index column of the STAGE_LU section of STAGECTRL_NML |\r\n| Factor | Land use factor for the mapping. This must sum up to 1 for each unique element of the Met_Index |\r\n| Description | Description of the meteorological model's land use (for documentation only) |\r\n\r\n## 4.10 Photolysis Inputs\r\n\r\n\r\n\r\n**OMI: Ozone Monitoring Instrument Column Data**\r\n\r\n\r\n\r\n[Return to Table 4-1](#omi_t)\r\n\r\n\r\n\r\nUsed by: CCTM\r\n\r\nOMI ozone column data by latitude and longitude for use in the photolysis calculations. CMAQ is distributed with ozone columns from 1978 to 2019 (CCTM/src/phot/inline/OMI_1979_to_2019.dat). The data are 22.5°x10° gridded ozone columns in Dobson units. The [create_omi](../../PREP/create_omi/README.md) tool under the PREP folder can be used to create a data file to support simulations after 2019 or a data file with a finer spatial resolution.\r\n\r\n**PHOT_OPTICS: Optical and related parameters** \r\n\r\nUsed by: CCTM\r\n\r\nWavelength, optical and surface albedo parameters for CMAQ in-line photolysis calculation. The values are determined by averaging technique over the above number of wavelength bins. This file is distributed with the CMAQ code. \r\n\r\n**CSQY: Absorption cross sections & quantum yields**\r\n\r\nUsed by: CCTM\r\n\r\nWavelength and photolysis rate parameters for CMAQ in-line photolysis calculation. This file is distributed with the CMAQ code and is chemical mechanism specific. \r\n\r\n\r\n\r\n [<< Previous Chapter](CMAQ_UG_ch03_preparing_compute_environment.md) - [Home](README.md) - [Next Chapter >>](CMAQ_UG_ch05_running_a_simulation.md)\r\n CMAQv5.5 User's Guide
\r\n\r\n\r\n\r\n\r\n\r\n\r\n[link_4.2.1]: ../../PREP/mcip/\r\n[link_4.2.2_I]: ../../PREP/bcon/src/profile\r\n[link_4.2.2_II]: ../../PREP/icon/\r\n[link_4.2.3]: ../../PREP/bcon/\r\n[link_4.4_hlconst]: ../../CCTM/src/cloud/acm_ae6/hlconst.F\r\n[link_4.4_precursor]: ../../CCTM/src/aero/aero6/PRECURSOR_DATA.F\r\n[link_4.4_soa]: ../../CCTM/src/aero/aero6/SOA_DEFN.F\r\n[link_4.4_aq]: ../../CCTM/src/cloud/acm_ae6/AQ_DATA.F\r\n[link_4.4_nml]: ../../CCTM/src/MECHS/cb6r3_ae7_aq/GC_cb6r3_ae7_aq.nml\r\n[link_4.2_fig2]: ./images/Figure2-1.jpg\r\n\r\n\r\n\r\n[link_4.2.1]: https://github.com/USEPA/CMAQ/blob/main/PREP/mcip/ \r\n[link_4.2.2_I]: https://github.com/USEPA/CMAQ/blob/main/PREP/bcon/src/profile\r\n[link_4.2.2_II]: https://github.com/USEPA/CMAQ/blob/main/PREP/icon/\r\n[link_4.2.3]: https://github.com/USEPA/CMAQ/blob/main/PREP/bcon/\r\n[link_4.4_hlconst]: https://github.com/USEPA/CMAQ/blob/main/CCTM/src/cloud/acm_ae6/hlconst.F\r\n[link_4.4_precursor]: https://github.com/USEPA/CMAQ/blob/main/CCTM/src/aero/aero6/PRECURSOR_DATA.F\r\n[link_4.4_soa]: https://github.com/USEPA/CMAQ/blob/main/CCTM/src/aero/aero6/SOA_DEFN.F\r\n[link_4.4_aq]: https://github.com/USEPA/CMAQ/blob/main/CCTM/src/cloud/acm_ae6/AQ_DATA.F\r\n[link_4.4_nml]: https://github.com/USEPA/CMAQ/blob/main/CCTM/src/MECHS/cb6r3_ae7_aq/GC_cb6r3_ae7_aq.nml\r\n[link_4.2_fig2]: https://github.com/USEPA/CMAQ/blob/main/DOCS/Users_Guide/images/Figure2-1.jpg\r\n" }, { "path": "DOCS/Users_Guide/CMAQ_UG_ch05_running_a_simulation.md", "content": "\r\n\r\n\r\n[<< Previous Chapter](CMAQ_UG_ch04_model_inputs.md) - [Home](README.md) - [Next Chapter >>](CMAQ_UG_ch06_model_configuration_options.md)\r\n\r\n\r\n\r\n# 5. Running a CMAQ Simulation\r\n\r\n## 5.1 Introduction\r\n\r\nDuring this chapter the user will learn about how to obtain the CMAQ source codes and how to set-up their CMAQ environment to complete a CMAQ simulation. It should be noted that before you can configure your CMAQ Environment, consult the chapter \"Preparing to run\" to see you have the minimum requirement of hardware and software on your system.\r\n\r\n## 5.2 Getting the CMAQ Source Code\r\n\r\nCMAQ source code can be installed either using git or from tarballs downloaded from the git repository hosted by GitHub. Both options are described here.\r\n\r\n### 5.2.1 Git Installation\r\n\r\nIn the directory where you would like to install CMAQ, issue the following command to clone the official EPA GitHub repository for CMAQv5.5:\r\n\r\n`git clone -b main https://github.com/USEPA/CMAQ CMAQ_REPO`\r\n\r\nUsing the git clone option, CMAQ will install into the following directories:\r\n\r\n```\r\nCMAQ_REPO/CCTM\r\nCMAQ_REPO/PREP\r\nCMAQ_REPO/POST\r\nCMAQ_REPO/UTIL\r\nCMAQ_REPO/PYTOOLS\r\nCMAQ_REPO/DOCS\r\n\r\n```\r\n\r\n### 5.2.2 Zip file Installation\r\n\r\nZip files of the CMAQ source code are available from the public GitHub repository. Click the button \"Clone or download\" from https://github.com/USEPA/CMAQ and select \"Download ZIP\" to download a Zip file of the CMAQ repository. Alternatively, you may download the Zip file from the [EPA CMAQ website](https://www.epa.gov/cmaq/access-cmaq-source-code).\r\n\r\nReference input/output data for testing the installation of the software are available from the CMAS Center; *data are not available through GitHub*. You must register/login to access the source codes and data from the CMAS Center.\r\n\r\nIn the directory where you would like to install CMAQ, unzip the model distribution file:\r\n\r\n`unzip CMAQ-main.zip`\r\n\r\nThe following directories will be created:\r\n\r\n```\r\nCMAQ-main/CCTM\r\nCMAQ-main/PREP\r\nCMAQ-main/POST\r\nCMAQ-main/UTIL\r\nCMAQ-main/PYTOOLS\r\nCMAQ-main/DOCS\r\n```\r\n\r\nThe Git and Zip file installation options will produce slightly different subdirectories on your Linux system. The base installation directory using the git clone command will be `CMAQ_REPO`; the directory from the Zip file will be `CMAQ-main`. The subsequent instructions in this guide will be based on the git clone installation. For Zip file installations, replace `CMAQ_REPO` with `CMAQ-main` in the instructions that follow. The differences in the directory names highlights the difference in functionality between the two options. Cloning the repository gives the user access to the full repository and its history, while downloading the Zip file will only give access to version 5.4.\r\n\r\n## 5.3 The CMAQ Repository Structure\r\n\r\nAfter downloading the source codes the user is encouraged to look through the repository to familiarize themselves with the structure. A summarized image of the repository is shown below:\r\n\r\n\r\n\r\n![image](https://user-images.githubusercontent.com/47453034/193078832-ca2369c8-f86a-4b81-8dbb-3bfcfc711e09.png)\r\n\r\n**Figure 5‑1. CMAQ repository structure**\r\n\r\nIn this image it can be seen that there are six main sub folders within the CMAQ repository. The first folder, CCTM, houses all the source codes (i.e. Fortran/C programs) and scripts that drive the CMAQ Chemistry Transport Model (CCTM). \r\n\r\nThe second folder, DOCS, contains the CMAQ User's Guide and a Developers Guide for a general description of CMAQ's open-source collaboration workflow and step-by-step instructions for how to make code contributions through GitHub.\r\n\r\nThe third folder in the repository is the POST folder which contains several very useful tools for post-processing of the input/output data files. Each tool within the folder comes wth the source code, scripts and a README used to run the tool. A technical description of the tools within this folder can be found in [Chapter 8](CMAQ_UG_ch08_analysis_tools.md).\r\n\r\nThe fourth folder in the repository is the PREP folder which contains several pre-processing programs that can be run before the CCTM to prepare meteorology, initial conditions and boundary conditions inputs. Similar to the POST tools, documentation on compiling and running the programs is provided within each subfolder under PREP.\r\n\r\nThe fifth folder in the repository is the PYTOOLS folder. This folder holds python tools relating to OCEAN file augmentation and tools relating to PREP and POST processing of inputs for CMAQ. Similar to the PREP and POST tools, documentation on how to run these tools is provided within each subfolder under PYTOOLS.\r\n\r\nThe last folder within the repository is the UTIL folder which contains useful utilities relating to the CMAQ program suite. An example is the bldmake utility which is used to compile the source code into executables when you use any of the build scripts in the CMAQ repository. Also included in this repository is a top-level README file with an overview of the contents of the release and two additional C-Shell scripts, `bldit_project.csh` and `config_cmaq.csh`. `bldit_project.csh` allows the user to extract the build and run scripts and compile the model outside of the repository, while `config_cmaq.csh` helps enforce consistent environment setting for the CMAQ project. Both these scripts will be discussed in the following sections.\r\n\r\n## 5.4 Building CMAQ Outside of the Repository in a User-Specified Directory\r\n\r\nWhen cloning the repository or unpacking the tar file of the CMAQ distribution, the top-level directory is recognized by the default build and run scripts as `CMAQ_HOME` (formerly M3HOME prior to CMAQv5.2). This directory is an arbitrary base location of the CMAQ installation on your Linux system for a specific application. If the user will build and run CMAQ within the repository folder structure, then `CMAQ_HOME` does not need to be set explicitly in the `bldit_project.csh` script. If, on the other hand, the user wishes to extract the build and run scripts and compile the model outside of the repository, then `CMAQ_HOME` will need to be specified in `bldit_project.csh`. Executing `bldit_project.csh` will automatically perform this extraction and create a CMAQ folder structure under the location now specified by `CMAQ_HOME`. To perform this operation, modify the variable `CMAQ_HOME` in the `bldit_project.csh ` script to identify the folder that you would like to install the CMAQ package under. For example:\r\n\r\n```\r\nset CMAQ_HOME = /home/username/CMAQ_v5.5\r\n```\r\n\r\nNow execute the script:\r\n\r\n```\r\n./bldit_project.csh\r\n```\r\n\r\nIt should be noted that from now on, the other CMAQ directories are referenced relative to CMAQ_HOME and it is where your CMAQ project will be run from. While this directory structure is convenient for the benchmark case and most CMAQ applications, other configurations are possible.\r\n\r\n## 5.5 Initialization of CMAQ Environment\r\n\r\nConsistency of configuration variables is critical for building CMAQ itself, not just its libraries. Accordingly CMAQ includes the configuration script `config_cmaq.csh` to help enforce consistent environment settings for CMAQ and its associated libraries. [Appendix A](Appendix/CMAQ_UG_appendixA_model_options.md) lists the `config_cmaq.csh` variables defined for the build process and suggests values to which to set those variables.\r\n\r\nNote that for multiprocessor applications it is recommended that the Fortran MPI wrapper script mpiifort (for Intel compiler; for GNU and PGI fortran compiler, use mpifort) be specified for the Fortran compiler (myFC). Using this script, instead of a direct call to the Fortran compiler, will ensure that the full suite of MPI components (libraries and include files) for the compiler are included in the parallel build without anything provided by the user explicitly.\r\n\r\nUse the following steps to initialize your CMAQ environment:\r\n\r\n```\r\nsource config_cmaq.csh [compiler]\r\n```\r\n\r\nAfter running the above command, it should be noticed now under CMAQ_HOME, the data file directory has been created and serves as a container for the input and output data for the model, and the lib directory contains links to the compiled binary library files required to build the CMAQ executables. The CMAQ scripts use the following environment variables to alias the locations of these directories:\r\n\r\n\r\n`CMAQ_LIB = $CMAQ_HOME/lib` (M3LIB before CMAQv5.2)
\r\n`CMAQ_DATA = $CMAQ_HOME/data` (M3DATA before CMAQv5.2)\r\n\r\nIf you encounter errors about libraries not being found, check the settings of the `config_cmaq.csh` script variables IOAPI, NETCDF, or MPI to ensure that they correctly point to the locations of these libraries on your Linux system.\r\n\r\nSourcing the `config_cmaq.csh` script only needs to be invoked during a new installation of CMAQ to make sure the links to these libraries are working correctly. For every successive session, links to these libraries will automatically be created when you run any of the build or run scripts.\r\n\r\n## 5.6 Compiling CMAQ Chemistry-Transport Model (CCTM)\r\n\r\nAfter all required CMAQ inputs are generated using the preprocessors mentioned above the user is now ready to compile CCTM. CMAQ’s current coding structure is based on a modular design principle that seperates CCTM’s main driver, science modules, data estimation modules, and control/utility subroutines. Also distinguished from each other are the science models (including submodels for meteorology, emissions, chemistry-transport modeling) and the analysis and visualization subsystems.\r\n\r\nIn CCTM, the process modules that affect the pollutant concentration fields are classified as listed below. Each bullet contains a description of the process followed by module name in parentheses. These modules are discussed further in [Chapter 6](CMAQ_UG_ch06_model_configuration_options.md).\r\n\r\nScience Modules:\r\n\r\n- Horizontal advection (hadv)\r\n- Vertical advection (vadv)\r\n- Horizontal diffusion (hdiff)\r\n- Vertical diffusion (vdiff)\r\n- Emissions (offline and online emissions sources) (emis) \r\n- Dry Deposition/Air Surface Exchange (depv)\r\n- Gas-phase chemical reaction solver (gas)\r\n- Aqueous-phase reactions and cloud mixing (cloud)\r\n- Aerosol dynamics and size distributions (aero)\r\n- Potential vorticity scaling for stratosphere/troposphere exchange (pv_o3)\r\n\r\nThe user has the ability to configure the model in a multitude of ways by selecting from different options for each scientific process. Model configuration is split into build time options and run time options. To modify any science options during build time, edit the `bldit_cctm.csh` script. The `bldit_cctm.csh` script also contains other information, such as the option to run in single or multiprocessor mode as well as debug mode. It should be noted default build time options are alrady set within the `bldit_cctm.csh`. To modify any run time options, such as turning on in-line biogenic emission calculation or using in-line windblown dust emission, edit the run script, `run_cctm.csh`, and set the corresponding environment variable. To read more about build and run time configurations for specific scientific processes, see the next chapter [(Chapter 6)](CMAQ_UG_ch06_model_configuration_options.md). To see a complete list configuration options reference [Appendix A](Appendix/CMAQ_UG_appendixA_model_options.md). \r\n\r\nOnce the `bldit_cctm.csh` script is configured to the user's preference, the user is ready to run the script to build the CCTM executable. To do this run the following commands:\r\n\r\n```\r\ncd $CMAQ_HOME/CCTM/scripts\r\nsource bldit_cctm.csh [compiler] [version] |& tee build_cctm.log\r\n```\r\n\r\nThe bldit script invokes the CMAQ utility program [bldmake][link_5_bldmake], which extracts source code from your CMAQ GIT repository, constructs a Makefile based on your selected options, and compiles the executable automatically. Following normal termination of the script with the default configuration, the user will notice a BLD directory created. This is the location of the CCTM executable along with the relevant source codes and the Makefile needed to build the model. In this directory a few useful commands can be used to update the executable if any changes are made to the Fortran source codes via the MakeFile. For example, if the user wants to recompile the source codes in debug mode _instead_ of re-running the `bldit_cctm.csh` script the user can use the following commands:\r\n\r\n```\r\ncd BLD_CCTM_v54_[compiler][version]\r\nmake clean\r\nmake DEBUG=TRUE\r\n```\r\n\r\nIn another example, if the user has made any changes to the source codes in the BLD directory and wanted to update the CCTM executable to reflect these changes the user can use the following commands:\r\n\r\n```\r\ncd BLD_CCTM_v54_[compiler][version]\r\nmake\r\n```\r\n\r\nThe Make utility only compiles the modified files and all associated file which are defined by the dependency of each source file in the Makefile.\r\n\r\n## 5.7 Running CCTM\r\n\r\nAfter setting up the CCTM executable the model is ready to be run. Much like the `bldit_cctm.csh` script, to modify any run time options edit the `run_cctm.csh` script referencing [Appendix A](Appendix/CMAQ_UG_appendixA_model_options.md) for a complete list of optional settings. After these settings have been configured use the following commands to run the script:\r\n\r\n\r\n```\r\ncd $CMAQ_HOME/CCTM/scripts\r\nrun_cctm.csh |& tee run_cctm.log\r\n```\r\n\r\n### 5.7.1 CCTM Logfiles\r\n\r\nThe CCTM simulation will write two types of logfile, a main logfile (e.g. run_cctm.log) and processor-specific logfiles that have the name convention: \r\n```\r\nCTM_LOG_[ProcessorID].v54_[compiler]_[data_name]/_[RUNDATE].log\r\n```\r\n\r\nThe main logfile contains extensive metadata and useful information about the details of your simulation. The following examples describe some of this information: \r\n```\r\nStart Model Run At Tue Sep 13 14:55:26 EDT 2022\r\nCompiler is set to intel\r\nNo compiler version given. Atmos system Detected. Assume Intel 21.0\r\n\r\nWorking Directory is ...\r\nBuild Directory is ...\r\nOutput Directory is ...\r\nLog Directory is ...\r\nExecutable Name is CCTM_v54.exe\r\n\r\n---CMAQ EXECUTION ID: CMAQ_CCTMv54_sha=[git-SHA]_[userID]_YYYYMMDD_hhmmss_nanosecs ---\r\n\r\nSet up input and output files for Day YYYY-MM-DD.\r\n\r\nExisting Logs and Output Files for Day YYYY-MM-DD Will Be Deleted\r\n/bin/rm: No match.\r\n\r\nCMAQ Processing of Day 20170722 Began at Tue Sep 13 14:55:26 EDT 2022\r\n```\r\nThis section documents the folder structure, username, and run date for the simulation, and is meant to aid in maintaining transparency of simulation results after runs have been completed. This section is followed by the CMAQ and I/O API headers, and a record of all environment variables and their values for this simulation.\r\n\r\nNext, the program outputs a table describing the domain decomposition breakdown for the run. \r\n```\r\n -=- MPP Processor-to-Subdomain Map -=-\r\n Number of Processors = 128\r\n ____________________________________________________\r\n | |\r\n | PE #Cols Col_Range #Rows Row_Range |\r\n |__________________________________________________|\r\n | |\r\n | 0 12 1: 12 24 1: 24 |\r\n | 1 12 13: 24 24 1: 24 |\r\n | 2 12 25: 36 24 1: 24 |\r\n | 3 12 37: 48 24 1: 24 |\r\n | 4 12 49: 60 24 1: 24 |\r\n | 5 12 61: 72 24 1: 24 |\r\n | 6 12 73: 84 24 1: 24 |\r\n | 7 12 85: 96 24 1: 24 |\r\n | 8 12 97: 108 24 1: 24 |\r\n | 9 12 109: 120 24 1: 24 |\r\n | 10 12 121: 132 24 1: 24 |\r\n | 11 11 133: 143 24 1: 24 |\r\n | 12 11 144: 154 24 1: 24 |\r\n | 13 11 155: 165 24 1: 24 |\r\n | 14 11 166: 176 24 1: 24 |\r\n | 15 11 177: 187 24 1: 24 |\r\n | 16 12 1: 12 24 25: 48 |\r\n | 17 12 13: 24 24 25: 48 |\r\n | 18 12 25: 36 24 25: 48 |\r\n | 19 12 37: 48 24 25: 48 |\r\n | 20 12 49: 60 24 25: 48 |\r\n | 21 12 61: 72 24 25: 48 |\r\n | 22 12 73: 84 24 25: 48 |\r\n | 23 12 85: 96 24 25: 48 |\r\n | 24 12 97: 108 24 25: 48 |\r\n | 25 12 109: 120 24 25: 48 |\r\n | 26 12 121: 132 24 25: 48 |\r\n | 27 11 133: 143 24 25: 48 |\r\n | 28 11 144: 154 24 25: 48 |\r\n | 29 11 155: 165 24 25: 48 |\r\n | 30 11 166: 176 24 25: 48 |\r\n | 31 11 177: 187 24 25: 48 |\r\n | 32 12 1: 12 24 49: 72 |\r\n | 33 12 13: 24 24 49: 72 |\r\n | 34 12 25: 36 24 49: 72 |\r\n | 35 12 37: 48 24 49: 72 |\r\n | 36 12 49: 60 24 49: 72 |\r\n | 37 12 61: 72 24 49: 72 |\r\n | 38 12 73: 84 24 49: 72 |\r\n | 39 12 85: 96 24 49: 72 |\r\n | 40 12 97: 108 24 49: 72 |\r\n | 41 12 109: 120 24 49: 72 |\r\n | 42 12 121: 132 24 49: 72 |\r\n | 43 11 133: 143 24 49: 72 |\r\n | 44 11 144: 154 24 49: 72 |\r\n | 45 11 155: 165 24 49: 72 |\r\n | 46 11 166: 176 24 49: 72 |\r\n | 47 11 177: 187 24 49: 72 |\r\n | 48 12 1: 12 23 73: 95 |\r\n | 49 12 13: 24 23 73: 95 |\r\n | 50 12 25: 36 23 73: 95 |\r\n | 51 12 37: 48 23 73: 95 |\r\n | 52 12 49: 60 23 73: 95 |\r\n | 53 12 61: 72 23 73: 95 |\r\n | 54 12 73: 84 23 73: 95 |\r\n | 55 12 85: 96 23 73: 95 |\r\n | 56 12 97: 108 23 73: 95 |\r\n | 57 12 109: 120 23 73: 95 |\r\n | 58 12 121: 132 23 73: 95 |\r\n | 59 11 133: 143 23 73: 95 |\r\n | 60 11 144: 154 23 73: 95 |\r\n | 61 11 155: 165 23 73: 95 |\r\n | 62 11 166: 176 23 73: 95 |\r\n | 63 11 177: 187 23 73: 95 |\r\n | 64 12 1: 12 23 96: 118 |\r\n | 65 12 13: 24 23 96: 118 |\r\n | 66 12 25: 36 23 96: 118 |\r\n | 67 12 37: 48 23 96: 118 |\r\n | 68 12 49: 60 23 96: 118 |\r\n | 69 12 61: 72 23 96: 118 |\r\n | 70 12 73: 84 23 96: 118 |\r\n | 71 12 85: 96 23 96: 118 |\r\n | 72 12 97: 108 23 96: 118 |\r\n | 73 12 109: 120 23 96: 118 |\r\n | 74 12 121: 132 23 96: 118 |\r\n | 75 11 133: 143 23 96: 118 |\r\n | 76 11 144: 154 23 96: 118 |\r\n | 77 11 155: 165 23 96: 118 |\r\n | 78 11 166: 176 23 96: 118 |\r\n | 79 11 177: 187 23 96: 118 |\r\n | 80 12 1: 12 23 119: 141 |\r\n | 81 12 13: 24 23 119: 141 |\r\n | 82 12 25: 36 23 119: 141 |\r\n | 83 12 37: 48 23 119: 141 |\r\n | 84 12 49: 60 23 119: 141 |\r\n | 85 12 61: 72 23 119: 141 |\r\n | 86 12 73: 84 23 119: 141 |\r\n | 87 12 85: 96 23 119: 141 |\r\n | 88 12 97: 108 23 119: 141 |\r\n | 89 12 109: 120 23 119: 141 |\r\n | 90 12 121: 132 23 119: 141 |\r\n | 91 11 133: 143 23 119: 141 |\r\n | 92 11 144: 154 23 119: 141 |\r\n | 93 11 155: 165 23 119: 141 |\r\n | 94 11 166: 176 23 119: 141 |\r\n | 95 11 177: 187 23 119: 141 |\r\n | 96 12 1: 12 23 142: 164 |\r\n | 97 12 13: 24 23 142: 164 |\r\n | 98 12 25: 36 23 142: 164 |\r\n | 99 12 37: 48 23 142: 164 |\r\n |100 12 49: 60 23 142: 164 |\r\n |101 12 61: 72 23 142: 164 |\r\n |102 12 73: 84 23 142: 164 |\r\n |103 12 85: 96 23 142: 164 |\r\n |104 12 97: 108 23 142: 164 |\r\n |105 12 109: 120 23 142: 164 |\r\n |106 12 121: 132 23 142: 164 |\r\n |107 11 133: 143 23 142: 164 |\r\n |108 11 144: 154 23 142: 164 |\r\n |109 11 155: 165 23 142: 164 |\r\n |110 11 166: 176 23 142: 164 |\r\n |111 11 177: 187 23 142: 164 |\r\n |112 12 1: 12 23 165: 187 |\r\n |113 12 13: 24 23 165: 187 |\r\n |114 12 25: 36 23 165: 187 |\r\n |115 12 37: 48 23 165: 187 |\r\n |116 12 49: 60 23 165: 187 |\r\n |117 12 61: 72 23 165: 187 |\r\n |118 12 73: 84 23 165: 187 |\r\n |119 12 85: 96 23 165: 187 |\r\n |120 12 97: 108 23 165: 187 |\r\n |121 12 109: 120 23 165: 187 |\r\n |122 12 121: 132 23 165: 187 |\r\n |123 11 133: 143 23 165: 187 |\r\n |124 11 144: 154 23 165: 187 |\r\n |125 11 155: 165 23 165: 187 |\r\n |126 11 166: 176 23 165: 187 |\r\n |127 11 177: 187 23 165: 187 |\r\n |__________________________________________________|\r\n```\r\nWith this output, users will be able to trace issues that occur on specific processors to geographic regions of the model domain.\r\n\r\nThen, as the time-dependent portion of the model begins, output is provided for every timestep with the following form:\r\n```\r\n Processing Day/Time [YYYYDDD:HHMMSS]: 2017356:000000\r\n Which is Equivalent to (UTC): 0:00:00 Friday, Dec. 22, 2017\r\n Time-Step Length (HHMMSS): 000500\r\n VDIFF completed... 3.7 seconds\r\n COUPLE completed... 0.1 seconds\r\n HADV completed... 8.4 seconds\r\n ZADV completed... 0.3 seconds\r\n HDIFF completed... 0.3 seconds\r\n DECOUPLE completed... 0.0 seconds\r\n PHOT completed... 1.4 seconds\r\n CLDPROC completed... 0.3 seconds\r\n CHEM completed... 1.5 seconds\r\n AERO completed... 2.5 seconds\r\n Master Time Step\r\n Processing completed... 18.7 seconds\r\n```\r\nThis section documents the date and time the model is currently processing along with the time spent calculating every major sub-process. At the end of each simulation hour, the calculation time is also printed for the output process.\r\n```\r\n Processing Day/Time [YYYYDDD:HHMMSS]: 2017356:005500\r\n Which is Equivalent to (UTC): 0:55:00 Thursday, Dec. 22, 2017\r\n Time-Step Length (HHMMSS): 000500\r\n VDIFF completed... 31.7 seconds\r\n COUPLE completed... 0.2 seconds\r\n HADV completed... 2.3 seconds\r\n ZADV completed... 0.4 seconds\r\n HDIFF completed... 0.5 seconds\r\n DECOUPLE completed... 0.0 seconds\r\n PHOT completed... 0.6 seconds\r\n CLDPROC completed... 19.1 seconds\r\n CHEM completed... 1.5 seconds\r\n AERO completed... 2.5 seconds\r\n Master Time Step\r\n Processing completed... 58.9 seconds\r\n \r\n =--> Data Output completed... 52.2 seconds\r\n```\r\nThis procedure repeats for every hour of the output day until completion of that day.\r\n```\r\n ==============================================\r\n |>--- PROGRAM COMPLETED SUCCESSFULLY ---<|\r\n ==============================================\r\n Date and time 0:00:00 Dec. 23, 2017 (2017357:000000)\r\n \r\n The elapsed time for this simulation was 6390.3 seconds.\r\n \r\nreal 6394.83\r\nuser 2000938.03\r\nsys 827.71\r\n\r\nCMAQ Processing of Day 20171222 Finished at Tue Sep 13 16:42:02 EDT 2022\r\n\r\n\\\\\\\\\\=====\\\\\\\\\\=====\\\\\\\\\\=====\\\\\\\\\\=====/////=====/////=====/////=====/////\r\n```\r\n\r\nAfter the final day has been completed, summary information is printed for the computation time of every executed day.\r\n```\r\n==================================\r\n ***** CMAQ TIMING REPORT *****\r\n==================================\r\nStart Day: 2017-12-22\r\nEnd Day: 2018-01-01\r\nNumber of Simulation Days: 8\r\nDomain Name: 12US1\r\nNumber of Grid Cells: 1538636 (ROW x COL x LAY)\r\nNumber of Layers: 44\r\nNumber of Processes: 128\r\n All times are in seconds.\r\n\r\nNum Day Wall Time\r\n01 2017-12-22 6394.83\r\n02 2017-12-23 6137.89\r\n03 2017-12-24 6039.40\r\n04 2017-12-25 6201.84\r\n05 2017-12-26 6403.34\r\n06 2017-12-27 6108.96\r\n07 2017-12-28 6308.07\r\n08 2017-12-29 6207.25\r\n09 2017-12-30 6306.42\r\n10 2017-12-31 6303.56\r\n11 2018-01-01 6107.77\r\n Total Time = 68519.33\r\n Avg. Time = 6229.03 \r\n``` \r\n\r\nThe processor-specific logfiles provide detailed information on the operation of hundreds of model tasks from mapping variables to opening and reading input files. Warnings that may be important for users to be aware of are printed to these files. To confirm that the model ran to completion view the run.[data].log file. For MPI runs, you may check any of the CTM_LOG_[ProcessorID]*.log files. A successful run will contain the following line at the bottom of the log(s):\r\n\r\n```\r\n>>----> Program completed successfully <----<<\r\n```\r\n\r\nNote: The log file for each processor is also moved from the $CMAQ_HOME/CCTM/scripts directory to the data output directory:\r\n\r\n```\r\n$CMAQ_DATA/output_CCTM_v54_[compiler]/[data_name]\r\n```\r\n\r\n### 5.7.2 CCTM Output files\r\n\r\nThe output results will have been placed in the directory:\r\n\r\n```\r\n$CMAQ_DATA/output_CCTM_v54_[compiler]_[data_name]\r\n```\r\n\r\nand can include the following netCDF-type files: ACONC, AELMO, B3GTS_S, CGRID, CONC, DEPV, DRYDEP, DUSTEMIS, LTNGDIAG1, LTNGDIAG2, MEDIA_CONC, ELMO, RJ_1, RJ_2, RJ_3, SOILOUT, SSEMIS, VDIFF, VSED, WETDEP1, WETDEP2 and VEXT_1. The in-depth description about each of these files is described in [Chapter 7](CMAQ_UG_ch07_model_outputs.md).\r\n\r\n\r\n### 5.7.3 Common errors causing the CCTM simulation to crash\r\n\r\nCommon errors in a CCTM simulation include the following:\r\n\r\n- Incorrect paths to input files. Look in the CCTM screen output (captured in your log file) for an Error message about an input file not being found.\r\n- Incorrect MPI implementation. A series of MPI errors at the end of the log file often indicate that the MPI job was not submitted correctly.\r\n\r\nCheck the last few lines of the CCTM output log for messages to help diagnose why the simulation did not complete.\r\n\r\n## 5.8 CMAQ Benchmark Test Case\r\nSee the [CMAQ Installation and Benchmarking Tutorial](Tutorials/CMAQ_UG_tutorial_benchmark.md) for step-by-step instructions for running the 2 day benchmark case and links to reference input and output data. \r\n\r\n\r\n\r\n\r\n[<< Previous Chapter](CMAQ_UG_ch04_model_inputs.md) - [Home](README.md) - [Next Chapter >>](CMAQ_UG_ch06_model_configuration_options.md)
\r\nCMAQv5.5 User's Guide
\r\n\r\n\r\n\r\n\r\n\r\n[link_5_bldmake]: ../../UTIL/bldmake/README.md\r\n\r\n\r\n\r\n[link_5_bldmake]: https://github.com/USEPA/CMAQ/blob/main/UTIL/bldmake/README.md" }, { "path": "DOCS/Users_Guide/CMAQ_UG_ch06_model_configuration_options.md", "content": "\n\n[<< Previous Chapter](CMAQ_UG_ch05_running_a_simulation.md) - [Home](README.md) - [Next Chapter >>](CMAQ_UG_ch07_model_outputs.md)\n\n\n\n# 6. Model Configuration Options\n\n\n\n\n\n## Table of Contents:\n\n* [6.1 Introduction](#6.1_Introduction)\n* [6.2 Numerical Approach](#6.2_Numerical_Approach)\n* [6.3 Grid Configuration](#6.3_Grid_Config)\n\t* [6.3.1 Horizontal Domains and Lateral Boundaries](#6.3.1_Horizontal_Domains)\n\t* [6.3.2 Vertical Domains](#6.3.2_Vertical_Domains)\n* [6.4 Science Configurations](#6.4_Science_Config)\n* [6.5 Advection](#6.5_Advection)\n* [6.6 Horizontal Diffusion](#6.6_Horizontal_Diff)\n* [6.7 Vertical Diffusion](#6.7_Vertical_Diff)\n* [6.8 Dry Deposition/Air-surface exchange](#6.8_Dry_Dep/Air)\n\t* [6.8.1 Dry Deposition - M3Dry](#6.8.1_Dry_Depm3dry)\n\t* [6.8.2 Dry Deposition - STAGE](#6.8.2_Dry_STAGE)\n\t* [6.8.3 Enhanced Ozone Deposition](#6.8.3_Enhanced_Ozone_Deposition)\n* [6.9 Emissions](#6.9_Emissions)\n\t* [6.9.1 Emission Streams](#6.9.1_Emission_Streams)\n\t* [6.9.2 Online Emission Streams](#6.9.2_Online_Emission)\n\t* [6.9.3 Emission Compatibility](#6.9.3_Emission_Compatibility)\n* [6.10 Gas Phase Chemistry](#6.10_Gas_Phase_Chem)\n\t* [6.10.1 Gas Phase Chemical Mechanisms](#6.10.1_Gas_Phase_Mech)\n\t* [6.10.2 Solvers](#6.10.2_Solver)\n\t* [6.10.3 Photolysis](#6.10.3_Photolysis)\n\t* [6.10.4 Nitrous Acid (HONO)](#6.10.4_HONO)\n\t* [6.10.5 CRACMM](#6.10.5_CRACMM)\n* [6.11 Aerosol Dynamics and Chemistry](#6.11_Aerosol_Dynamics)\n * [6.11.1 Aerosol Boundary and Initial Conditions](#6.11.1_Aero_BC)\n* [6.12 Aqueous Chemistry, Scavenging and Wet Deposition](#6.12_Aqueous_Chemistry)\n* [6.13 Potential Vorticity Scaling](#6.13_Potential_Vort)\n* [6.14 References](#6.14_References)\n\n\n\n\n\n## 6.1 Introduction\n\n\n\n[Return to Top](#Return_to_Top)\n\n\n\nAs discussed in [Chapter 1](CMAQ_UG_ch01_overview.md), CMAQ is a multipollutant, multiscale air quality modeling system that estimates the transport and chemistry of ozone, PM, toxic airborne pollutants, and acidic and nutrient pollutant species, as well as visibility degradation and deposition totals. CMAQ includes state-of-the-art technical and computational techniques to simulate air quality from urban to global scales. It can model complex atmospheric processes affecting transformation, transport, and deposition of air pollutants using a system architecture that is designed for fast and efficient computing. (See [Appendix D](Appendix/CMAQ_UG_appendixD_parallel_implementation.md) for an introduction on how data-parallelism can be applied in the CMAQ system to increase computational efficiency.) This chapter presents a brief overview of the conceptual formulation of Eulerian air quality modeling and the science features in various components of the Chemistry-Transport Model (CTM) component of CMAQ, CCTM. \n\n\n\n## 6.2 Numerical Approach\n\n\n\n[Return to Top](#Return_to_Top)\n\n\n\nThe theoretical basis for CMAQ’s formulation is the conservation of mass for atmospheric trace species. The general form of a chemical species equation derives from this conservation, so that changes in atmospheric concentrations of a species, Ci, can mathematically be represented as\n\n![Equation 6-1](images/Figure6-1.JPG) \n\nwhere the terms on the right-hand side of the equation represent the rate of change in Ci due to advection, diffusion, cloud processes (mixing, scavenging, and aqueous-phase chemistry), dry deposition, and aerosol processes (phase partitioning, and aerosol dynamics). Rgi represents the rate of change due to gas and heterogeneous chemical reactions, while Ei is the emission rate for that species. The mass conservation for trace species and the aerosol dynamic equations for the various modes of the particulate size distribution in CMAQ are further formulated in generalized coordinates, where in the same formulation allows the model to accommodate the commonly used horizontal map projections (i.e., Lambert Conformal, Polar Stereographic, and Mercator) as well as different vertical coordinates (see Chapters 5 and 6 in Byun and Ching, 1999). The governing equation for CMAQ is numerically solved using the time-splitting or process splitting approach wherein each process equation is solved sequentially, typically with the process with the largest time-scale solved first. \n\n\n\n## 6.3 Grid Configuration\n\n\n\n[Return to Top](#Return_to_Top)\n\n\n\nCMAQ is a three-dimensional Eulerian air quality model. To solve the governing partial differential equations, the modeling domain (that is, the volume of the atmosphere over a geographic region of interest) is discretized with three-dimensional cells. The grid cells and lateral boundaries of the domain must be rigorously and consistently defined across the scientific components of the model, including chemistry, emissions, meteorology, and other peripheral scientific processors. In other words, all components of the CMAQ system must use the same map projections and horizontal grid spacing to maintain scientific consistency across the modeling domain. The number of grid cells in the west-east dimension is typically counted in \"columns\" or \"NCOLS\", and the number of grid cells in the south-north dimension is typically counted in \"rows\" or \"NROWS\". The vertical discretization is typically counted in \"layers\" or \"NLAYS\".\n\nCMAQ uses a generalized coordinate system to map the physical space to the computational space; see Chapter 6 of Byun and Ching (1999). The generalized coordinates enable CMAQ to maintain mass consistency under different horizontal map projections (such as Lambert Conformal, Polar Stereographic, and Mercator) and under different vertical coordinate systems (such as terrain-following \"sigma\", height, and hybrid sigma-pressure). CMAQ supports modeling domains comprised of rectilinear cells, where the length of each _side_ of the cells in projected space is the same (such as Δx = Δy = 12 km). By contrast, the vertical grid is generally irregular, such that the modeling layers are thinnest near the ground. The absolute dimensions of the horizontal grid (that is, the west-east and south-north extents of the computational domain) can differ.\n\nIn general, the characteristics of the CMAQ modeling domain (including the map projection, horizontal grid spacing, vertical grid type, and maximum areal coverage) are inherited from the meteorological model. Beginning with CMAQv5.3 and MCIPv5.0, the public release of CMAQ is only configured for meteorological data from the Weather Research and Forecasting (WRF) model. However, MCIP (which translates and prepares meteorological model data for CMAQ) can be expanded to process data from other meteorological models to be used within the CCTM.\n\n\n\n### 6.3.1 Horizontal Domains and Lateral Boundaries\n\n\n\n[Return to Top](#Return_to_Top)\n\n\n\nAfter determining the horizontal and vertical extent of the domain of interest, the meteorological model must be run for a horizontal domain slightly larger than the CMAQ domain. A larger meteorology domain is required so the boundary conditions in the WRF simulation will fall outside the CMAQ simulation domain. Because there is a blend of larger-scale driving data and scale-specific physics within the WRF lateral boundaries, these data are inappropriate to use in the CCTM, so they are usually removed in MCIP. The lateral boundaries for WRF are typically a \"picture frame\" of the outermost 5 cells of the WRF domain. These lateral boundaries are used to blend the influence of larger-scale meteorological driving data with the WRF simulation. In WRF, the lateral boundaries are calculated and included as part of the modeling domain. By contrast, the lateral boundaries for the CCTM are external to the modeling domain.\n\nMCIP can be used to extract a subset of the WRF modeling domain (that is, a \"window\") to be used for the CCTM modeling domain. The window can be any rectangular area within the meteorological model's lateral boundaries, provided it contains a nominally large enough areal coverage.\n\nHorizontal grids specifications for CMAQ are contained in the grid definition file (GRIDDESC), which is output by MCIP and can be edited by the user. Further details on grid configuration are available in the [README.md][link_6.1] file in the PREP/mcip folder. If several domains have been used within a group, the horizontal domain for a given CMAQ run can be defined at runtime by setting the GRIDDESC and GRID_NAME environment variables to point to an existing grid definition file and to one of the grids defined in the file, respectively. \n\n\n\n### 6.3.2 Vertical Domains\n\n\n\n[Return to Top](#Return_to_Top)\n\n\n\nCMAQ can support multiple vertical coordinate systems via the generalized coordinate. Most of the grid transformation to maintain mass consistency in CMAQ occurs through the mathematical term, Jacobian; see Chapter 6 of Byun and Ching (1999) and Otte and Pleim (2010). In the CMAQ system, the Jacobian is calculated in MCIP. The vertical processes in the CCTM (such as mixing within the planetary boundary layer and convective mixing) must also be cast in a flexible coordinate system.\n\nThere are two options for vertical coordinates in the WRF model: terrain-following (\"sigma\"), and hybrid sigma-pressure. In both vertical coordinate systems, there is a \"model top\" employed (often called PTOP, or pressure at the top of the model) to limit the vertical extent of the modeling domain. The model top is usually set within the lower stratosphere (for example, 50 hPa), but can be higher for some modeling applications. The sigma coordinate system allows the influence of the terrain to gradually diminish with height toward the model top. The sigma coordinate (technically called \"eta\" in the WRF system) has been used since WRF was initially released to the public in the late 1990s. The hybrid sigma-pressure coordinate was introduced in WRFv3.9 (released in 2017), and it uses a terrain-following coordinate in the lower part of the atmosphere which transitions to a constant pressure coordinate in the upper part of the atmosphere. The hybrid sigma-pressure coordinate is often used to reduce the presence of gravity waves in the model in steep and complex terrain, and to enable a higher model top to be used.\n\nBeginning with CMAQv5.3 and MCIPv5.0, both the sigma and the hybrid sigma-pressure coordinates are supported. MCIPv5.0 was modified to calculate the Jacobian from the hybrid coordinate, and CMAQv5.3 has some scientific processes recast more generically so that both the sigma coordinate and the hybrid coordinate can be properly represented. CMAQ prior to v5.3 (and MCIP prior to v5.0) is not compatible with the hybrid coordinate system introduced in WRF 3.9. If the hybrid coordinate is used in WRF (versions 3.9 or later), MCIPv5.0 must be used with CMAQv5.3. See [Appendix E](Appendix/CMAQ_UG_appendixE_configuring_WRF.md) for notes on configuring WRF4.0 and later for use with CMAQv5.3. \n\n\n\n## 6.4 Science Configurations\n\n\n\n[Return to Top](#Return_to_Top)\n\n\n\nCCTM contains several science configurations for simulating transport, chemistry, and deposition. All the science configuration options in CCTM, such as the chemical mechanism to be used, are set when building the executable. The model grid and vertical layer structure for CCTM are set at execution. The important distinction between selecting the science configuration and the model grid/layer configuration is that CCTM does not need to be recompiled when changing model grids/layers but does need to be recompiled when new science options are invoked. The following sections describe how these science options can be utilized by configuring the `bldit_cctm.csh` and `run_cctm.csh` scripts. For the remainder of this chapter these files will be referred to as simply BuildScript and RunScript.\n\n\n\n## 6.5 Advection\n\n\n\n[Return to Top](#Return_to_Top)\n\n\n\nIn CCTM, the 3-dimensional transport by mean winds (or advection) is numerically represented by sequentially solving locally-one dimensional equations for the two horizontal and vertical components. CMAQ uses the piecewise parabolic method (PPM) (Colella and Woodward, 1984) for representing tracer advection in each of the three directions. This algorithm is based on the finite-volume sub-grid definition of the advected scalar. In PPM, the sub-grid distribution is described by a parabola in each grid interval. PPM is a monotonic and positive-definite scheme. Positive-definite schemes maintain the sign of input values, which in this case means that positive concentrations will remain positive and cannot become negative.\n\nMass consistency is a key desired attribute in tracer advection. Data consistency is maintained for air quality simulations by using dynamically and thermodynamically consistent meteorology data from WRF/MCIP. Mass inconsistencies can nevertheless arise either using different grid configurations (horizontal or vertical) or due to differing numerical advection schemes between the driving meteorological model and the CCTM. While inconsistencies due to the former can be eliminated through use of the same grid configurations (thus, layer collapsing is not recommended), some inconsistencies can still remain due to differing numerical representations for satisfying the mass-continuity equation between the driving meteorological model and the CCTM. These mass-inconsistencies manifest as first order terms (whose magnitude can often be comparable to tracer lifetimes if continuity is not satisfied with high accuracy) that can artificially produce or destroy mass during 3D tracer advection (e.g., Mathur and Peters, 1990).\n\nCMAQ has two options that minimize mass consistency errors in tracer advection. In one scheme (designated “local_cons” in the BuildScript), first implemented in CMAQv4.5 and later improved for CMAQv4.7.1, CMAQ advects air density and re-diagnoses the vertical velocity field according to the layer-by-layer mass continuity equation which guarantees that the CCTM advected density matches that derived from the driving meteorological inputs (e.g., Odman and Russell, 2000). Briefly, x- and y-advection are first performed (the order of these is reversed every step to minimize aliasing errors) to yield intermediate tracer and density fields. The intermediate density field is then subject to vertical advection with the PPM scheme such that it yields the WRF-derived density field at the end of the advection time-step. This scheme results in an estimated vertical velocity field that is minimally adjusted relative to the WRF derived field in the lower model layers but yields strict mass-consistent tracer advection in CMAQ. A drawback to this approach is that erroneous noise in the diagnosed vertical velocity field accumulates toward the top of the model with non-zero velocity and mass flux across the top boundary. The noise in the vertical velocity field causes excessive diffusion in upper layers. Therefore, since CMAQv5.0, a scheme designated “wrf_cons”, that closely follows the vertical velocity calculation in WRF has been available. This scheme solves the vertically integrated mass continuity equation such that the column integrated horizontal mass divergence is balanced by the net change in column mass (Skamarock et al, 2019). An advantage of this scheme is that the diagnosed vertical velocity agrees more closely with the WRF vertical velocity field with zero velocity and mass flux across the upper model boundary. Thus, the spurious velocity noise and excessive diffusion in the upper layer are eliminated. The main drawback of this scheme is that mass conservation is not guaranteed so density must be updated from the meteorology inputs every timestep. \n\nThe **“WRF_CONS”** option is the recommended configuration starting CMAQv5.3.\n\nTo invoke the \"WRF_CONS\" option in 3-D advection, set the following in the BuildScript within the CCTM Science Modules section:\n\n```\nset ModAdv = wrf_cons\n```\nTo invoke the \"LOCAL_CONS\" option in 3-D advection, set the following in the BuildScript within the CCTM Science Modules section: \n```\nset ModAdv = local_cons\n```\n***Note: The local_cons option is a legacy extension and can cause unexpected results when used.***\n\n\n\n## 6.6 Horizontal Diffusion\n\n\n\n[Return to Top](#Return_to_Top)\n\n\n\nThe lack of adequate turbulence measurements has limited the development of robust model parameterizations for horizontal turbulent diffusion, a scale and resolution dependent problem. With the advent of very accurate minimally diffusive numerical advection schemes and need for high resolution modeling, horizontal diffusion algorithms are needed to balance the numerical diffusion inherent in advection schemes relative to the physical horizontal diffusion in the atmosphere. Currently in CMAQ, horizontal diffusion fluxes for transported pollutants are parameterized using eddy diffusion theory. The horizontal diffusivity coefficients are in turn formulated using the approach of Smagorinsky (1963) which accounts for local horizontal wind deformation and are also scaled to the horizontal grid size.\n\n\n\n## 6.7 Vertical Diffusion\n\n\n\n[Return to Top](#Return_to_Top)\n\n\n\nThe vertical diffusion model in CMAQ is the Asymmetrical Convective Model Version 2 (ACM2) (Pleim 2007a,b). The ACM2 is a combined local and non-local closure PBL scheme that is implemented in CMAQ and WRF for consistent PBL transport of meteorology and chemistry. Thus, it is recommended that the ACM2 option in WRF or MPAS also be used when preparing meteorology for CMAQ. \n\nThere are two options for the ACM2 model in the BuildScript that are compatible with either the M3Dry or STAGE dry deposition options. \n\nWhen running m3dry dry deposition:\n\n```\nSet ModVdiff = acm2_m3dry\n```\n\nWhen running STAGE dry deposition:\n\n```\nSet ModVdiff = acm2_stage\n```\n\n\n## 6.8 Dry Deposition/Air-surface exchange\n\n\n\n[Return to Top](#Return_to_Top)\n\n\n\nExchange of pollutants between the atmosphere and Earth's surface can be modeled as unidirectional exchange, commonly referred to as dry deposition, or bidirectional exchange where the direction of the flux depends on the relative concentration of the pollutant in the atmosphere and the surface (e.g. soil, plant stomata). If the concentration in the atmosphere is greater than the concentration at the surface, then deposition occurs. If the concentration in the atmosphere is lower than the concentration at the surface, emission occurs. CMAQ contains algorithms for modeling either of these situations. The rate of exchange is controlled by surface characteristics such as vegetation type, leaf area index, and surface roughness as well as meteorological influences such as temperature, radiation, and surface wetness which are provided to CMAQ from the land surface model (LSM) in the driving meteorological model.\n\nCurrently, most chemicals in CMAQ are modeled as depositing only. However, ammonia and mercury can be both emitted from the surface and deposited and are therefore modeled as bidirectional. Estimates of the soil and stomatal compensation concentrations needed to compute the bidirectional ammonia flux in CMAQ are derived from input provided by the Environmental Policy Integrated Climate (EPIC) agricultural ecosystem model that is executed using the Fertilizer Emission Scenario Tool for CMAQ (FEST-C, https://www.cmascenter.org/fest-c ) (Ran et al., 2011; Cooter et al., 2012). Information for surface concentrations of mercury are initially specified using land use specific tabular data and then by modeling the accumulation, transformation and evasion of mercury in the surface media (Bash 2010).\n\nStarting with CMAQ v5.3, there are two options for calculating dry deposition/surface exchange which are invoked in the BuildScript as:\n\n```\nSet DepMod = m3dry\n```\n\nor:\n\n```\nSet DepMod = stage\n```\nDeetails of each module are provided in the sections below.\n\n\n\n\n### 6.8.1 Dry Deposition - M3Dry\n\n\n\n[Return to Top](#Return_to_Top)\n\n\n\nThe M3Dry option for dry deposition and ammonia bidirectional surface flux in CMAQv5.5 is the latest update of the dry deposition model that has been in CMAQ since its initial release and was originally based on the dry deposition model developed for the Acid Deposition and Oxidant Model (ADOM) (Pleim et al., 1984). Changes from CMAQv5.4 involve only minor bug fixes. Dry deposition is computed by electrical resistance analogy where concentration gradients are analogous to voltage, flux is analogous to current, and deposition resistance is analogous to electrical resistance (Pleim and Ran, 2011). In M3Dry, several key resistances, such as aerodynamic resistance and bulk stomatal resistance, and other related parameters, such as LAI, vegetation fraction, roughness length, friction velocity etc., are expected to be provided from the meteorological inputs. Use of common model elements and parameters with the land surface model in the meteorology model ensures consistency between chemical surface fluxes and meteorological surface fluxes (moisture, heat, momentum). While the M3Dry dry deposition model was designed to be used with the PX LSM option in WRF, any LSM can be used if the necessary parameters are output and then provided for input into CMAQ. It features consideration of subgrid land-use fractions through aggregation of key model parameters, such as LAI, veg fraction, roughness length and minimum stomatal conductance, to the grid cell level. Dry deposition velocities and fluxes by landuse category for each grid cell can be computed and output for 13 major gas phase species by a postprocessor available on request.\n\nUpgrades for version 5.3 include larger surface resistances for deposition to snow and ice and reduced resistance for deposition to bare ground for ozone with dependence on surface soil moisture content. The aerosol deposition has also been revised including a new dependence on LAI. The ammonia bidirectional surface flux from croplands has been substantially revised from earlier versions. The new version has close linkages with the EPIC agricultural ecosystem model. Daily values of all soil parameters needed to compute the available soil ammonia concentrations (soil ammonia content, soil moisture, soil texture parameters, soil pH, and Cation Exchange Capacity (CEC)) for each of 21 agricultural production types that are either rainfed or irrigated (42 types total) are input to CMAQ. Soil ammonia concentrations and soil pH are combined to derive the soil compensation concentration for the bidirectional flux calculation (Pleim et al., 2019).\n\nThe main upgrade for version 5.4 is the replacement of the aerosol dry deposition model with a new version that compares better to size-resolved observations, especially in forests, than the previous version and other models used in AQ modeling (Pleim et al 2022). The key innovations are dependence on leaf area index (LAI) for the vegetated part of the grid cell and two terms for inertial impaction for both macroscale obstacles (e.g., leaves and needles) and microscale obstacles (e.g., leaf hairs and microscale ridges). When the modally integrated form is applied in CMAQ, the accumulation mode deposition velocities increase by more than an order of magnitude in highly forested areas resulting in lower concentrations of PM2.5.\n\n\n\n\n### 6.8.2 Dry Depostion - STAGE\n\n\n\n[Return to Top](#Return_to_Top)\n\n\n\nIn CMAQ v5.3., a new tiled, land use specific, dry deposition scheme, the Surface Tiled Aerosol and Gaseous Exchange (STAGE), option has been developed to better estimate atmospheric deposition for terrestrial and aquatic ecosystem health and applications to evaluate the impact of dry deposition on ambient air quality. This new scheme explicitly supports Weather Research and Forecasting (WRF) simulations with a variety of land surface schemes (Noah, Pleim-Xiu, etc). The model resistance framework, [Figure 6-1](#Figure6-1), parameterizes air-surface exchange as a gradient process and is used for both bidirectional exchange and dry deposition following the widely used resistance model of Nemitz et al. (2001). Grid scale fluxes are estimated from sub-grid cell land use specific fluxes and are area weighted to the grid cell totals which are then output in the standard dry deposition file with positive values indicating deposition and negative values indicating evasion. \nThe model resistances are largely estimated following Massad et al. (2010) with the following exceptions. Deposition to wetted surfaces considers the bulk accommodation coefficient, following Fahey et al. (2017), and can be a limiting factor for highly soluble compounds. The in-canopy resistance is derived using the canopy momentum attenuation parameterization from Yi (2008). Aerosol dry deposition includes parameterizations for deposition to water or bare ground surfaces (Giorgi 1986), and vegetated surfaces (Slinn 1982), using the characteristic leaf radius parameterization of Zhang et al. (2001). \nThe ammonia bidirectional option follows the ammonia specific parameterizations of Massad et al. (2010). Mercury bidirectional exchange is also available and follows the parameterization of Bash (2010). In this modeling framework, it is possible to consider bidirectional exchange for any species by providing a parametrization or constant that sets the stomatal, cuticular, soil and/or water compensation point as a value greater than 0. The ammonia bidirectional exchange model has been found to capture the seasonality of satellite and in-situ observations ([Wang et al., 2020](https://doi.org/10.1029/2020GL090579)). In CMAQv5.4, the non-agriculture NH3 emission potentials have been revised following recent observations ([Walker et al., 2022](https://doi.org/10.5194/bg-2022-133)).\n\nSTAGE ammonia bidirectional calculations rely on input files generated by EPIC and, except on the first simulation day, the results of the previous day's STAGE soil NH4 chemistry calculations that are stored in the previous day's `CCTM_MEDIA_CONC` output file. The following considerations apply when using the STAGE ammonia bidirectional module:\n\n1.\tAmmonia bidirectional exchange in STAGE was developed to track the mass balance of the soil NH4 because the CMAQ-STAGE estimate of NH3 evasion differs from EPIC. The discrepancy between CMAQ-STAGE simulations of the soil NH4 in the MEDIA_CONC and EPIC input files will diverge over time due to the differences that the parameterization of model evasion have on the soil mass balance. \n2.\tInitialization of the bidirectional exchange soil NH4 on different dates will likely result in persistent model differences that can persist for months depending on the time of the initialization and environmental conditions. \n3.\tWhen performing multiyear CMAQ simulations using the ammonia bidirectional flux module, Jan. 1st of each simulation year should be initialized solely from EPIC files (i.e. not use the December 31 `CCTM_MEDIA_CONC` file from the previous year) as current versions of EPIC used in FEST-C do not reasonably simulate multiyear runs and simulations are conducted for the calendar year. \n\n\n\n\n\n![Figure 6-1](images/Figure6_8_2.png) \n**Figure 6-1. STAGE resistance diagram (modified from Nemitz et al., 2001) with a table of variables descriptions.**\n\nSTAGE options in the RunScript:\n```\nsetenv CTM_MOSAIC Y\n```\nSets output for land use specific dry deposition and dry deposition velocities. Note: To retrieve the grid cell average from these files it should be area weighted by the land use fraction by summing the product of the land use fraction and the dry deposition/deposition velocity for each grid cell. \n\n```\nsetenv PX_VERSION Y\nsetenv CLM_VERSION Y\nsetenv NOAH_VERSION Y \n```\nSets the correct soil hydrological properties and soil layer information needed to calculate soil NO emissions, NH3 bidirectional exchange and O3 deposition. These options are currently based on WRF 3.8.1 and earlier values for PX and CLM and WRF 4.0 for NOAH. If the land surface model is run with another look up table or parameterization, soil moisture will be constrained between saturation and residual water content from the parameterization in CMAQ. This is also the case for the m3dry deposition option, soil NO emissions, and windblown dust. \n\nIn CMAQ v5.4 and beyond, the user can select one of three different aerosol deposition parameters within the STAGE deposition option. \n\n```\nsetenv CTM_STAGE_P22 N \nsetenv CTM_STAGE_E20 Y \nsetenv CTM_STAGE_S22 N \n```\nCTM_STAGE_P22 is a tiled/land use specific [Pleim et al. (2022)](https://doi.org/10.1002/essoar.10510541.1) aerosol deposition option. CTM_STAGE_E20 is the tiled implementation of the [Emerson et al. (2020)](https://doi.org/10.1073/pnas.2014761117) aerosol deposition model. CTM_STAGE_S22 is the tiled version of [Shu et al. (2022)](https://doi.org/10.1016/j.atmosenv.2022.119343) aerosol deposition model (the same as the STAGE parameterization in CMAQ v5.3 STAGE). CTM_STAGE_E20 is the default option and will be used in model simulation unless one of the other options is specified. In v5.4, the user can modify land use and chemical species dependent variables used by STAGE by editing the [STAGE Control Namelist](CMAQ_UG_ch04_model_inputs.md#stagectrl_nml) to update model parameters without the need to recompile.\n\n\n\n### 6.8.3 Enhanced Ozone Deposition\n\nThe interaction of iodide in seawater with atmospheric ozone can enhance ozone deposition over seawater. CMAQ contains a scheme for enhanced ozone deposition over seawater ([Sarwar et al,. 2016](https://doi.org/10.1016/j.atmosenv.2016.06.072)). If the CTM_OCEAN_CHEM flag is set to N, then the model will not calculate the enhanced ozone deposition over seawater. \n\n\n## 6.9 Emissions\n\n\n\n[Return to Top](#Return_to_Top)\n\n\n\nCMAQ introduces emissions of trace gases and aerosols from a variety of important sources (e.g. electric generating utilities, vehicles, fires, trees, dust storms, farms, etc.). Some emissions are applied in the surface layer of the model grid, while others are applied at higher altitudes if, for example, they originate from point source like an elevated stack, or a large forest fire. Many sources that are related to local meteorology may be calculated online in CMAQ. However, most sources, especially anthropogenic ones, are preprocessed using software like the Sparse Matrix Operator Kerner Emissions (SMOKE) Modeling System. Once these external tools have calculated the offline emissions, they may merge them into larger aggregated files. We refer to emissions that are either calculated online or read into CMAQ from a file as emission \"streams\".\n\nBecause CMAQ represents both primary and secondary pollutants, emissions are processed for a subset of the species CMAQ treats. The emissions chemical speciation must be compatible with the chemical mechanism chosen for CMAQ (e.g. cb6r5_ae7_aq) because different mechanisms represent large compounds like functionalized hydrocarbons with different surrogates. The emissions mapping is carried out via the Detailed Emission Scaling, Isolation, and Diagnostic (DESID) Module. \n[Figure 6-2](#Figure6-2) illustrates the combination of data flowing from multiple types of emission streams into the CMAQ model system through the DESID interface. \nMapping rules are prescribed in the DESID Chemical Mapping Control File, and default versions of this namelist file are provided for every chemical mechanism. \nIf the user does not provide a Chemical Mapping Control File or the path to the file in the RunScript is incorrect, then zero emissions will be assumed for every stream. However, the configuration of various other scientific options in the RunScript (e.g. correcting for biderectional emission of fertilizer emissions) may conspire to create non-physical values for the emission rates. If the user would like all emissions set to 0, it is recommended that they use the syntax outlined in Appendix B and the DESID tutorial to do so. \n\n \n![Figure 6-2](images/Figure6-2.png) \n**Figure 6-2. Offline and online emission streams pass pollutant emission rates to the core CMAQ model through the DESID interface.**\n\nCMAQv5.3 introduced DESID so that the process of mapping emissions species to CMAQ species would be more transparent and flexible (see [Appendix B: Emission Control with DESID](Appendix/CMAQ_UG_appendixB_emissions_control.md)). In fact, users can now toggle, modify, and augment emissions from all available streams in order to confidently customize their simulations to the science or policy questions they are asking CMAQ to help answer. For tutorials covering specific tasks, please see the [DESID tutorial page](Tutorials/CMAQ_UG_tutorial_emissions.md). \n\n\n\n\n\n### 6.9.1 Emission Streams\n\n\n\n[Return to Top](#Return_to_Top)\n\n\n\nDepending on the nature of any stream and the information used to quantify its emissions, it may be treated as one of three types:\n\n#### Online Streams:\nCMAQ will calculate the emission rates from this source using information about local meteorology, land characteristics, etc. The streams that can be run online in CMAQ are: [biogenics (BEIS/MEGAN)](#BEIS/MEGAN),[ windblown dust](#Wind_Blown_Dust), [sea spray](#Sea_Spray), marine gas, and [lightning NO](#Lightning_NO).\n\n#### Gridded Stream (offline):\nCMAQ will read emission rates from an input file, which is organized into an array that is identical in shape to the CMAQ model grid. Typically, these rates are stored at hourly time points and are then interpolated within CMAQ to each time step. These files may be 2D to represent just the surface layer emissions or they may be 3D. If 3D, the file may have the same number or fewer number of layers as the CMAQ grid. Gridded emissions may be merged into a single stream or kept as separate types. Some common examples of Gridded emissions include:\n\n- Mobile sources such as passenger vehicles, trains, ships, scooters, etc.\n- Low-level point source emissions that are not large enough to be treated individually\n- Residential heating\n- Consumer product use (e.g. adhesives, personal care products, pesticides, etc.)\n- Agricultural (e.g. burning, dust, animal waste, etc.)\n- Road, Construction and mechanically generated dust\n- Biogenic VOCs (if not calculated online with BEIS or MEGAN)\n\nUsers add Gridded emissions to a simulation via the RunScript. First the variable N_EMIS_GR must be set to the number of Gridded Streams to be used:\n\n```\nsetenv N_EMIS_GR 3\n```\n\nThe RunScript must also specify the location of the input files using three-digit suffixes for the stream number:\n\n```\nsetenv GR_EMIS_001 /home/user/path-to-file/emiss_stream_1_${DATE}.nc\n```\n\n\nthe short-name label to be used to refer to the Stream in logfiles:\n\n```\nsetenv GR_EMIS_LAB_001 MOBILE\n```\n\nand if the stream contains data in a representative day fashion (i.e. data from 2016 maybe used to model emissions in 2019 since the diurnal pattern maybe the same for that stream): \n\n```\nsetenv GR_EM_SYM_DATE_001 F\n```\n\nNote: if GR_EM_SYM_DATE_XXX is not set, the default value for this variable is false. However, this default value can be changed using the environment variable EM_SYM_DATE like so: \n```\nsetenv EM_SYM_DATE T #This changes the internal default of GR_EM_SYM_DATE, if not set, to true. [Default value: F]\n```\nUsers should be careful with this variable, as it changes the default value for all gridded streams. If both EM_SYM_DATE and GR_EM_SYM_DATE_XXX are present, GR_EM_SYM_DATE_XXX takes precedent for that individual stream. Example: if GR_EM_SYM_DATE_001 is F and EM_SYM_DATE is T, the emissions module will see that stream 001 is not a symbolic data type, however, stream 002, if not set, will indicate that stream 002 is of symblic data type.\n\nIf N_EMIS_GR is set 0, then CMAQ will run with no Gridded emissions even if the values for GR_EMIS_XXX and GR_EMIS_LAB_XXX are all set.\n\n#### Point Stream (offline):\nFor these streams, emission rates and stack characteristics are provided for many individual sources on the same offline file. CMAQ uses the stack information to calculate important quantities online like the injection height which is influenced by local meteorology. A specific latitude/longitude pair is given for each source to locate it in the CMAQ grid. Sources outside the CMAQ grid domain are ignored by CMAQ; thus the same files may be used for a large domain and a nest within that domain. Some common examples of Point emissions include:\n\n- Stacks (electric generation units, industrial sources, manufacturing, etc.)\n- Forest fires\n- Large prescribed fire events \n\nUsers add Point emission streams to a simulation via the RunScript. First the variable N_EMIS_PT must be set to the number of Point Streams to be used:\n\n```\nsetenv N_EMIS_PT 3\n```\nThe RunScript must also specify the location of the input files using three-digit suffixes for the stream number:\n\n```\nsetenv STK_EMIS_002 /home/user/path-to-file/point_emiss_stream_2_${DATE}.nc\n```\n\nThe location to the \"stack file\" with static information about the properties of each source on the stream:\n\n```\nsetenv STK_GRPS_002 /home/user/path-to-file/point_stack_groups_2.nc\n```\n\n\nthe short-name label to be used to refer to the Stream in logfiles:\n\n```\nsetenv STK_EMIS_LAB_002 POINT_FIRES\n```\n\nand if the stream contains data in a representative day fashion (i.e. data from 2016 maybe used to model emissions in 2019 since the diurnal pattern maybe the same for that stream): \n\n```\nsetenv STK_EM_SYM_DATE_002 F\n```\n\nNote: if STK_EM_SYM_DATE_XXX is not set, the default value for this variable is false. However, this default value can be changed using the environment variable EM_SYM_DATE like so: \n```\nsetenv EM_SYM_DATE T #This changes the internal default of STK_EM_SYM_DATE, if not set, to true. [Default value: F]\n```\nUsers should be careful with this variable, as it changes the default value for all stack streams. If both EM_SYM_DATE and STK_EM_SYM_DATE_XXX are present, STK_EM_SYM_DATE_XXX takes precedent for that individual stream. Example: if STK_EM_SYM_DATE_001 is F and EM_SYM_DATE is T, the emissions module will see that stream 001 is not a symbolic data type, however, stream 002, if not set, will indicate that stream 002 is of symblic data type.\n\nIf N_EMIS_PT is set 0, then CMAQ will run with no Point emission streams even if the values for STK_EMIS_XXX, STK_GRPS_XXX and STK_EMIS_LAB_XXX are all set.\n\n*Plume Rise* - Plume rise can be calculated online within CMAQ using the Briggs solution as it is implemented in SMOKE and documented in the SMOKE user guide [Chapter 4.3](https://www.cmascenter.org/smoke/documentation/5.0/html/ch04s03.html#sect_programs_elevpoint_briggs). It is required that emission files have been processed to include the necessary stack parameters (e.g. exit velocity, diameter, stack gas temperature, stack height, etc.) for anthropogenic point sources. Wildland fires require heat flux and are to estimate plume rise with Briggs using [the Pouliot-Godowitch method](https://www.cmascenter.org/smoke/documentation/5.0/html/ch04s06.html#sect_programs_laypoint_plume_rise_fires).\n\n\n\n### 6.9.2 Online Emission Streams\n\n\n\n[Return to Top](#Return_to_Top)\n\n\n\n\n#### Biogenics\nTo calculate online biogenic emissions, CMAQ uses the [Biogenic Emission Inventory System (BEIS)](https://www.epa.gov/air-emissions-modeling/biogenic-emission-inventory-system-beis) and the [Model of Emissions of Gases and Aerosols from Nature (MEGAN)](https://bai.ess.uci.edu/megan). Before using the CMAQ online version of BEIS or MEGAN users should confirm that biogenic emissions are not already included in their emissions files from SMOKE to avoid double counting biogenic emissions.\n\n#### BEIS\n\nBEIS calculates emissions resulting from biological activity from land-based vegetative species as well as nitric oxide emissions produced by microbial activity from certain soil types. This biogenic model is based on the same model that is included in SMOKE. User documentation for BEIS can be found in [Chapter 4.19 of the SMOKE manual](https://www.cmascenter.org/smoke/documentation/5.0/html/). \n\nSpeciation of biogenic emissions for BEIS is controlled by gspro_biogenics.txt under CCTM/src/biog/beis.\n\nRunning CMAQ with BEIS is controlled by the following RunScript flag:\n\n\n```\nsetenv CTM_BIOGEMIS_BE Y\n```\n\nRunning CMAQ with online BEIS requires a user-supplied, gridded normalized biogenic emissions input netCDF file, B3GRD. This file is created with the [normbeis4](https://www.cmascenter.org/smoke/documentation/5.0/html/ch04s13.html) program in SMOKE prior to running the online biogenic option in CMAQ and contains winter and summer normalized emissions and Leaf Area Indices. [Starting with CMAQ v54](../Release_Notes/CMAQ-Release-Notes:-Emissions-Updates:-BEIS-Biogenic-Emissions.md#beis-updates), the selection of summer vs. winter normalized emission factors when using the BEIS online biogenic emission option in CMAQ is based on the 1 meter soil temperature following the WRF PX LSM representation of seasonality. The location of the B3GRD file is set in the RunScript:\n\n```\nsetenv B3GRD /home/user/path-to-file/b3grd.nc\n```\n\nAdditionally, when using the online biogenic option, the user must point to the SOILOUT file from one day’s simulation as the SOILINP file for the next day. The user must also decide whether to write over SOILOUT files from previous days or create a uniquely named SOILOUT file for each day. The latter approach is recommended if the user wishes to retain the capability to restart simulations in the middle of a sequence of simulations.\n\nSet the NEW_START variable in the RunScript to TRUE if this is the first time that biogenic NO soil emissions will be calculated. If there is a previously created file, set to FALSE. When NEW_START is set to FALSE, the directory path and file name of biogenic NO soil emissions file must be set in the RunScript:\n\n```\nsetenv NEW_START FALSE\n```\n\n```\nsetenv BEIS_SOILINP /home/user/path-to-file/cctm_soilout.nc\n```\n\n#### MEGAN\n\nMEGAN also calculates emissions resulting from biological activity from land-based vegetative species as well as nitric oxide emissions produced by microbial activity from certain soil types. \n\nSpeciation of biogenic emissions for MEGAN is controlled by mechanism specific *.EXT files under CCTM/src/biog/megan3.\n\nRunning CMAQ with MEGAN is controlled by the following RunScript flag:\n\n\n```\nsetenv CTM_BIOGEMIS_MG Y\n```\n\nRunning CMAQ with online MEGAN requires user-supplied input netCDF files that can be created with the [MEGAN preprocessor](https://bai.ess.uci.edu/megan/data-and-code). Three files are required:\n\n\n```\nsetenv MEGAN_CTS /home/user/path-to-file/CTS.nc\n```\n\n```\nsetenv MEGAN_EFS /home/user/path-to-file/EFS.nc\n```\n\n```\nsetenv MEGAN_LDF /home/user/path-to-file/LDF.nc\n```\n\nThese files describe the canopy type, the emission factors for each MEGAN species, and the light dependent fraction of each grid cell. The user may also choose to set MEGAN_LAI to use a MEGAN-formatted leaf area index dataset that they might prefer. \n\n\nThe MEGAN_SOILINP and MEGAN_SOILOUT functionality is the same as for BEIS (see above), with the addition of shortwave radiation and surface temperature values to the buffer files. \n\n\n\n\n#### Windblown Dust\nThe amount of dust emitted from an arid surface depends on wind speed, surface roughness, moisture content of the soil, vegetation coverage, soil type and texture, and air density. The main mechanism behind strong dust storms is called “saltation bombardment” or “sandblasting.” The physics of saltation include the movement of sand particles due to wind, the impact of these particles to the surface that removes part of the soil volume, and the release of smaller dust particles. Following the approach described in Foroutan et al. (2017) to represent these processes, CMAQ first calculates friction velocity at the surface of the Earth. Once this friction velocity exceeds a threshold value, saltation, or horizontal movement, flux is obtained. Finally, the vertical flux of the dust is calculated based on a sandblasting efficiency formulation - a vertical-to-horizontal dust flux ratio.\n\nIn its windblown dust emission calculations, CMAQ uses time-varying vegetation coverage, soil moisture and wind speed from the meteorological model, WRF. The vegetation coverage is used to adjust the erodible portion of “desert land” grid cells (discussed in the next paragraph) and its representation in WRF can vary depending on the configuration. In WRFv4.1+, the Pleim-Xiu land-surface model (PX LSM) was modified to provide CMAQ vegetation fraction (VEGF_PX in WRF renamed VEG in MCIP) from either the old fractional land use weighting table lookup method (pxlsm_modis_veg = 0), or a new option where vegetation fraction is directly read from monthly MODIS satellite-derived vegetation coverage found in the wrflowinp_d0* file(s) (pxlsm_modis_veg = 1). This was done because in recent years WRF has provided high resolution (~1 km) monthly vegetation coverage that is more accurate than tables. Updates are backward compatible with older version of MCIP or WRF as long as VEG and VEGF_PX/VEGFRA are in those files. Using the MODIS data in WRF via the new PX vegetation option provides the dust model a more accurate representation of vegetation in regions where windblown dust most occurs. \n\nCMAQ windblown dust emissions are only computed for certain land use types defined as “desert” land, i.e. erodible, arid land. During the initial development of the CMAQ windblown dust module, three such “desert” land use types were defined and information about their fractional coverage was based on the Biogenic Emissions Landuse Database (BELD) and was provided to CMAQ through a separate input file. Later developments added the option to alternatively obtain land use information directly from MCIP (which in turn reflects the land use option selected for the WRF LSM, such as NCLD40 or MODIS), internally mapping “desert” types defined for the different WRF land use options to the three different BELD “desert” categories used in the CMAQ windblown dust algorithm. This supported the calculation of windblown dust emissions for areas outside North America where BELD is not available. As of version CMAQ version 5.4, the windblown dust module no longer supports reading a separate file with BELD land use data and always uses land use information contained in the MCIP files.\n\nUsers are strongly encouraged to enable the windblown dust module only for configurations using WRF version 4+. Windblown dust may only be enabled when using PX LSM input (setenv PX_VERSION Y), since other LSMs calculate soil properties at depths that are not consistent with assumptions in the windblown dust module.\n\nThe CMAQ windblown dust module is controlled by the following RunScript flag:\n\n```\nsetenv PX_VERSION Y\nsetenv CTM_WB_DUST Y\n```\n\nNote that if this flag is set to N to indicate zero windblown dust emissions, users should set the CTM_EMISCHK variable in the RunScript to FALSE to avoid crashing CMAQ when it cannot find species it is looking for from dust emissions.\n\nAlternatively, users can also edit the emission control file by commenting out the coarse and fine species expected for the windblown dust module. The following species are emitted by the Dust module and may be referenced in the emission control file [Table 6-1](#Table6-1):\n\n\n**Table 6-1. Aerosol Species Predicted by the Windblown Dust Module** \n\n|**Dust Surrogate Name** | **Default CMAQ Species** | **Description** |\n| --------------- | ---------|--------------------------------------- |\n| PMFINE_SO4 | ASO4 | Fine-mode Sulfate | \n| PMCOARSE_SO4 | ASO4 | Coarse-mode Sulfate | \n| PMFINE_NO3 | ANO3 | Fine-mode Nitrate | \n| PMCOARSE_NO3 | ANO3 | Coarse-mode Nitrate | \n| PMFINE_CL | ACL | Fine-mode Chlorine | \n| PMCOARSE_CL | ACL | Coarse-mode Chlorine | \n| PMFINE_NH4 | ANH4 | Fine-mode Ammonium | \n| PMFINE_NA | ANA | Fine-mode Sodium | \n| PMFINE_CA | ACA | Fine-mode Calcium | \n| PMFINE_MG | AMG | Fine-mode Magnesium | \n| PMFINE_K | AK | Fine-mode Potassium | \n| PMFINE_POC | APOC | Fine-mode Organic Carbon | \n| PMFINE_PNCOM | APNCOM | Fine-mode Non-Carbon Organic Matter | \n| PMFINE_LVPO1 | ALVPO1 | Fine-mode Low-Volatility hydrocarbon-like OA | \n| PMFINE_LVOO1 | ALVOO1 | Fine-mode Low-Volatility Oxygenated OA | \n| PMFINE_EC | AEC | Fine-mode Black or Elemental Carbon | \n| PMFINE_FE | AFE | Fine-mode Iron | \n| PMFINE_AL | AAL | Fine-mode Aluminum | \n| PMFINE_SI | ASI | Fine-mode Silicon | \n| PMFINE_TI | ATI | Fine-mode Titanium | \n| PMFINE_MN | AMN | Fine-mode Manganese | \n| PMFINE_H2O | AH2O | Fine-mode Water | \n| PMCOARSE_H2O | AH2O | Coarse-mode Water | \n| PMFINE_OTHR | AOTHR | Fine-mode Other | \n| PMCOARSE_SOIL | ASOIL | Coarse-mode Non-Anion Dust | \n| PMFINE_MN_HAPS | AMN_HAPS | Fine-mode Air toxics Manganese | \n| PMCOARSE_MN_HAPS| AMN_HAPS | Coarse-mode Air toxics Manganese | \n| PMFINE_NI | ANI | Fine-mode Nickel | \n| PMCOARSE_NI | ANI | Coarse-mode Nickel | \n| PMFINE_CR_III | ACR_III | Fine-mode Trivalent Chromium | \n| PMCOARSE_CR_III | ACR_III | Coarse-mode Trivalent Chromium | \n| PMFINE_AS | AAS | Fine-mode Arsenic | \n| PMCOARSE_AS | AAS | Coarse-mode Arsenic | \n| PMFINE_PB | APB | Fine-mode Lead | \n| PMCOARSE_PB | APB | Coarse-mode Lead | \n| PMFINE_CD | ACD | Fine-mode Cadmium | \n| PMCOARSE_CD | ACD | Coarse-mode Cadmium | \n| PMFINE_PHG | APHG | Fine-mode Mercury |\n| PMCOARSE_PHG | APHG | Coarse-mode Mercury |\n \n\n#### Sea Spray\nBecause sea spray particles are emitted during wave breaking and bubble bursting at the ocean surface, the main factor affecting the emission rate is the wind speed. The temperature of the ocean also affects bubble bursting and subsequent emission rate of sea spray particles. Wave breaking is enhanced near the surf zone just offshore, and CMAQ accounts for this by increasing sea spray particle emission rates in the surf zone.\n\nThe current open ocean sea spray particle emission rate in CMAQ, as described in Gantt et al. (2015), is based on Gong (2003) with a temperature dependence derived from Jaeglé et al. (2011) and Ovadnevaite et al. (2014) and an adjustment of Θ from 30 to eight to account for higher accumulation mode emissions. The current surf zone sea spray particle emission rate in CMAQ as described in Gantt et al. (2015) is based on Kelly et al. (2010) with a reduction of the assumed surf zone width from 50 to 25 meters.\nThe CMAQ sea spray emissions module is controlled by the following RunScript flag:\n\n```\nsetenv CTM_OCEAN_CHEM Y\n```\n\nSpeciation of sea spray emissions is controlled by AERO_DATA.F under CCTM/src/aero. \nNote that CMAQ employing Carbon Bond 6 version r5 with DMS and marine halogen chemistry (cb6r5m_ae7_aq) slightly modifies the speciation of Sea Spray emissions by including bromide from Sea Spray emissions.\n\nNote that if the CTM_OCEAN_CHEM flag is set to N to indicate zero sea spray emissions, users should set the CTM_EMISCHK variable in the RunScript to FALSE to avoid crashing CMAQ when it cannot find species it is looking for from sea spray. \n\nAlternatively, users can also edit the emission control file by commenting out the coarse and fine species expected for the sea spray module. The following species are emitted by the Sea Spray module and may be referenced in the emission control file [Table 6-2](#Table6-2):\n\n\n**Table 6-2. Aerosol Species Predicted by the Sea-Spray Aerosol Module** \n\n|**Sea Spray Surrogate Name** | **Default CMAQ Species** | **Description** |\n| --------------- | ---------|--------------------------------------- |\n| PMFINE_SO4 | ASO4 | Fine-mode Sulfate | \n| PMCOARSE_SO4 | ASO4 | Coarse-mode Sulfate | \n| PMFINE_CL | ACL | Fine-mode Chlorine | \n| PMCOARSE_CL | ACL | Coarse-mode Chlorine | \n| PMFINE_NA | ANA | Fine-mode Sodium | \n| PMFINE_CA | ACA | Fine-mode Calcium | \n| PMFINE_MG | AMG | Fine-mode Magnesium | \n| PMFINE_K | AK | Fine-mode Potassium | \n| PMCOARSE_SEACAT | ASEACAT | Coarse-mode Sea Spray Cations | \n| PMFINE_CR_VI | ACR_VI | Fine-mode Hexavalent Chromium | \n| PMFINE_NI | ANI | Fine-mode Nickel | \n| PMCOARSE_NI | ANI | Coarse-mode Nickel | \n| PMFINE_AS | AAS | Fine-mode Arsenic | \n| PMCOARSE_AS | AAS | Coarse-mode Arsenic | \n| PMFINE_BE | ABE | Fine-mode Beryllium | \n| PMCOARSE_BE | ABE | Coarse-mode Beryllium | \n| PMFINE_PHG | APHG | Fine-mode Mercury |\n| PMCOARSE_PHG | APHG | Coarse-mode Mercury |\n| PMFINE_PB | APB | Fine-mode Lead | \n| PMCOARSE_PB | APB | Coarse-mode Lead | \n| PMFINE_CD | ACD | Fine-mode Cadmium | \n| PMCOARSE_CD | ACD | Coarse-mode Cadmium | \n| PMFINE_MN_HAPS | AMN_HAPS | Fine-mode Manganese (air toxic) | \n| PMCOARSE_MN_HAPS| AMN_HAPS | Coarse-mode Manganese (air toxic) | \n| PMFINE_BR | ABR | Fine-mode Bromine | \n| PMCOARSE_BR | ABR | Coarse-mode Bromine | \n| PMFINE_H2O | AH2O | Fine-mode Water | \n| PMCOARSE_H2O | AH2O | Coarse-mode Water | \n\n\n#### Dimethyl sulfide (DMS) and Halocarbon emissions\n\nDMS and halocarbon emissions are needed for cb6r5m_ae7_aq. DMS emissions are also needed for cb6r5_ae7_aq and. DMS emissions are calculated using the monthly mean climatological DMS concentrations in seawater and halocarbon emissions are calculated using the monthly-average climatological chl-a concentrations derived from the Moderate Resolution Imaging Spectroradiometer (MODIS). Ocean file needs to include DMS and CHLO concentrations in seawater for cb6r5m_ae7_aq and DMS for cb6r5_ae7_aq. CTM_OCEAN_CHEM should be set to Y to include DMS and halocarbon emissions; otherwise CMAQ will not include any DMS or halocarbon emissions. The details of DMS emissions estimations method in CMAQ are described in Zhao et al. (2021) while the details of halocarbon emissions are described in Sarwar et al. (2015) and Sarwar et al. (2019). \n\n\n\n#### Lightning NO\nIn retrospective applications over the continental U.S., National Lightning Detection Network (NLDN) lightning data or the scaled World Wide Lightning Location Network (WWLLNs) lightning data (Kang et al., 2022) can be used directly to generate NO produced by lightning in CMAQ. For real-time forecasts or other applications where lightning data are not available, lightning NO is produced based on statistical relationships with the simulated convective rainfall rate (Kang et al., 2019).\n\nThere are two options for including NO from lighting. Both options require setting the CTM_LTNG_NO flag to Y in the RunScript.\n```\nsetenv CTM_LTNG_NO Y\n```\n\n\n\n##### Option 1 - Inline NO with NLDN or WWLLNs Data -- user uses hourly NLDN or WWLLNs lightning strike netCDF file. \n\nHourly NLDN lightning strike data can be purchased, and WWLLNs data is available at (https://dataverse.unc.edu/dataset.xhtml?persistentId=doi:10.15139/S3/NK3NCM (instructions and metadata) and https://cmas-wwlln-lightning.s3.amazonaws.com/index.html#cmas-wwlln-lightning/ (Data folders)).\n\n\nIn addition to the hourly lightning strike netCDF file, this option requires a lightning parameters netCDF file. This file contains the intercloud to cloud-to-ground flash ratios, which are the scaling factors for calculating flashes using the convective precipitation rate, land-ocean masks, and the moles of NO per flash (cloud-to-ground and intercloud). The lightning parameters file for a domain over the continental US at 12km horizontal resolution (12US1) can be downloaded from the [CMAS Data Warehouse](https://drive.google.com/drive/folders/1R8ENVSpQiv4Bt4S0LFuUZWFzr3-jPEeY). This file can be regridded to support other domains within the continental US. \n\n\nFor this option, set the following environment variables in the RunScript:\n\n```\nsetenv LTNGNO INLINE\n```\n```\nsetenv USE_NLDN Y\n```\n```\nsetenv NLDN_STRIKES /home/user/path-to-file/nldn(or WWLLNs)_hourly_ltng_strikes.nc\n```\n```\nsetenv LTNGPARMS_FILE /home/user/path-to-file/LTNG_AllParms_12US1.nc\n```\n\n##### Option 2 - Inline NO without NLDN Data -- lightning NO is calculated within CCTM based on statistical relationships with the simulated convective rainfall rate.\n\nThis option also requires a lightning parameters netCDF file which contains the linear regression parameters for generating lightning NO. The lightning parameters file for the continental US at 12km horizontal resolution can be downloaded from the [CMAS Data Warehouse](https://drive.google.com/drive/folders/1R8ENVSpQiv4Bt4S0LFuUZWFzr3-jPEeY). This file can be regridded to support other domains within the continental US. \n\nFor this option, set the following environment variables in the RunScript:\n\n```\nsetenv LTNGNO INLINE\n```\n```\nsetenv USE_NLDN N\n```\n```\nsetenv LTNGPARMS_FILE /home/user/path-to-file/LTNG_AllParms_12US1.nc\n```\n\n\n\n### 6.9.3 Emission Compatibility for CMAQv5.3+\n\n\n\n[Return to Top](#Return_to_Top)\n\n\n\n\n#### Potential Combustion SOA\nPotential Combustion SOA (PCSOA) was added to CMAQv5.2 to account for missing PM2.5 from fossil-fuel combustion sources (Murphy et al., 2017). PCSOA is not intended to be applied to non-fossil-fuel combustion sources such as residential wood combustion (RWC). The new DESID option introduced in CMAQv5.3 introduces the ability to read multiple gridded emissions files, allowing RWC to be treated as an entirely separate emissions source from the rest of the gridded emissions. Using DESID, PCSOA can be applied to the other gridded combustion sources, but should not be used for RWC. The CRACMM mechanism does not use PCSOA. \n\n[Jump to DESID Appendix](Appendix/CMAQ_UG_appendixB_emissions_control.md) for an introduction to using the Emissions Control Namelist for customization of emissions processing.\n\n[Jump to DESID Tutorial](Tutorials/CMAQ_UG_tutorial_emissions.md) for step by step instructions on performing some basic manipulation of emission streams.\n\n\n#### α-Pinene separated from other monoterpenes\nIf using chemical mechanism CB6r3 or CB6r5 and aerosol module AERO7 (cb6r3_ae7_aq or cb6r5_ae7_aq) with offline biogenic emissions, α-pinene should be separated from all other monoterpenes. This will prevent overestimation in PM2.5 SOA as α-pinene should not make SOA through nitrate radical reaction. Users can use biogenic emission files created for older model versions by updating the emission control file to separate α-pinene. No action is required for aerosol module AERO6 (any mechanism), in-line biogenics (any mechanism, any aerosol module), or aero7 with SAPRC mechanisms. See the [AERO7 overview release notes](https://github.com/USEPA/CMAQ/blob/5.3/DOCS/Release_Notes/aero7_overview.md) for further details. \n\n\n\n## 6.10 Gas Phase Chemistry\n\n\n\n### 6.10.1 Gas Phase Chemical Mechanisms\n\n\n\n[Return to Top](#Return_to_Top)\n\n\n\nThe CMAQ modeling system accounts for chemistry in three phases: a gas, particulate (solid or liquid), and aqueous-cloud phase. Refer to the release notes to find the gas‑phase chemistry mechanisms available in each version of CMAQ. Several variations of the base gas-phase mechanisms, with and without chlorine, DMS, mercury, and toxic species chemistry, are distributed with CMAQ. The modularity of CMAQ makes it possible to create or modify the gas-phase chemical mechanism.\n\nGas-phase chemical mechanisms are defined in CMAQ based on Fortran source files. Located in subdirectories of the CCTM/src/MECHS directory (each corresponding to a mechanism name), these files define the source, reaction parameters, and atmospheric processes (e.g., diffusion, deposition, advection) of the various mechanism species. The species definitions for each mechanism are contained in namelist files that are read in during execution of the CMAQ programs. The CMAQ mechanism configuration is more similar to the science module configuration than to the horizontal grid or vertical layer configuration in that the mechanism is defined at build time, resulting in executables that are hard-wired to a specific gas-phase mechanism. To change chemical mechanisms between simulations, a new executable that includes the desired mechanism configuration must be compiled.\n\n#### Using predefined chemical mechanisms\nTo select a predefined mechanism configuration in CMAQ, set the *Mechanism* variable in the BuildScript to one of the mechanism names listed in [Table 6-3](#Table6-3). \n\n```\n set Mechanism = MECHANISM_NAME\n```\n\nRefer to the [README.md](../../CCTM/src/MECHS/README.md) under CCTM/src/MECHS for detailed information reactions and on model species names for each mechanism. \n\nChemical mechanisms available with CMAQv5.5 can be found in [Table 6-3](#Table6-3). Atmospheric chemistry mechanisms of varying complexity are available to support diverse applications across scales and explore extensions for emerging problems and contaminants.\n\n\n**Table 6-3. Chemical Mechanisms Available with CMAQv5.5** \n\n|**Mechanism Name** | **Comment** |\n| ----------------- | ---------------------------------------------------- |\n| cb6r3_ae7_aq | Carbon Bond 6 version r3 with aero7 treatment of SOA set up for standard cloud chemistry |\n| cb6r5_ae7_aq | Carbon Bond 6 version r5 with aero7 treatment of SOA set up for standard cloud chemistry |\n| cb6r5_ae7_aqkmt2 | Carbon Bond 6 version r5 with aero7 treatment of SOA set up for expanded organic cloud chemistry version 2 |\n| cb6r5m_ae7_aq | Carbon Bond 6 version r5 with aero7 treatment of SOA and DMS and marine halogen chemistry set up for standard cloud chemistry | \n| cb6r5hap_ae7_aq | Carbon Bond 6 version r5 with air toxics and aero7 treatment of SOA set up for standard cloud chemistry | \n| racm2_ae6_aq | Regional Atmospheric Chemistry Mechanism version 2 with aero6 treatment of SOA set up for with standard cloud chemistry |\n| saprc07tic_ae7i_aq | State Air Pollution Research Center version 07tc with extended isoprene chemistry and aero7i treatment of SOA set up for with standard cloud chemistry | \n| saprc07tic_ae7i_aqkmt2 | State Air Pollution Research Center version 07tc with extended isoprene chemistry and aero7i treatment of SOA for expanded organic cloud chemistry version 2 |\n| saprc07tc_ae6_aq | State Air Pollution Research Center version 07tc with aero6 treatment of SOA set up for with standard cloud chemistry | \n| cracmm1_aq | Community Regional Atmospheric Chemistry Multiphase Mechanism version 1.0 | \n| cracmm1amore_aq | Community Regional Atmospheric Chemistry Multiphase Mechanism version 1.0 with AMORE isoprene chemistry | \n| cracmm2 | Community Regional Atmospheric Chemistry Multiphase Mechanism version 2.0 | \n| 2DVBS | The 2D-VBS mechanism is contributed by collaborators at Tsinghua University. It is built on top of SAPRC07 mechanism. This mechanism is available in a separate research branch of the CMAQ repo. Please contact Professor Bin Zhao (bzhao@mail.tsinghua.edu.cn) for more details. |\n\n\n\n### 6.10.2 Solvers\n\n\n\n[Return to Top](#Return_to_Top)\n\n\n\nTo solve the photochemistry, the model uses one of three numerical methods or solvers. They differ by accuracy, generalization, and computational efficiency, i.e. model run times. Options include Euler Backward Iterative (EBI) solver (Hertel et al., 1993), Rosenbrock (ROS3) solver (Sandu et al., 1997), and Sparse Matrix Vectorized GEAR (SMVGEAR) solver (Jacobson and Turco, 1994). The EBI solver is the default method for all chemical mechanisms except cb6r5m_ae7_aq because it is the fastest but is less accurate and must be _tailored_ for each mechanism. The dafault solver for cb6r5m_ae7_aq is ROS3 since it is faster than the EBI solver. The BuildScript defines which EBI solver to use as below. \n\n```\n set ModGas = gas/ebi_${Mechanism} \n``` \n \nIf a user creates new FORTRAN modules representing the photochemical mechanism or modifies the existing modules, they must create a new EBI solver by using the create_ebi utility. Documentation on compiling and running create_ebi is available under the [UTIL/create_ebi][link_6.10.1] folder. To examine if the newly created EBI solver is working properly, CMAQ results with the EBI solver can be compared to those obtained with the SMVGEAR or ROS3 solver for a few days. The remaining two solvers, SMVGEAR and ROS3, are more accurate and less prone to convergence errors. Both methods are labeled as “generalized” because they only require the mechanism’s namelist and FORTRAN modules representing the photochemical mechanism. Rosenbrock is preferred over SMVGEAR because it several times fasterr. To use either SMVGEAR and ROS3, the BuildScript defines ModGas as below. \n\n```\n set ModGas = gas/smvgear\n``` \n\nor\n\n```\n set ModGas = gas/ros3\n``` \n\n\n \n### 6.10.3 Photolysis\n\n\n\n[Return to Top](#Return_to_Top)\n\n\n\nAll the mechanisms include photolysis rates. The BuildScript has two options for calculating the rates.\n\n```\n set ModPhot = phot/inline\n``` \n\nor\n\n```\n set ModPhot = phot/table\n``` \n\nThe in-line method (Binkowski et al., 2007) is the preferred option because it includes feedbacks from meteorology in addition to predicted ozone and aerosol concentrations. Starting CMAQv5.5, the in-line methods includes options for calculating the aerosol optical properties used to calculated photolysis frequencies. The model RunScript toggles between the options using the environmental variable \"AEROSOL_OPTICS\". The table below summarizes these options: \n\n| **AEROSOL_OPTICS value**|**In-line Photolysis Method**|**Description**|\n|:--------------:|:----:|:--------:|\n| 1 | Tabular Mie | Adapts a look-up table and interpolation method for aerosol optical properteis described by Fast et al. (2006). The table is created in-line and saved to an ASCII file when NEW_START equals true or when the ASCII file is missing. The model run-script controls the location of the table by the line, \"setenv MIE_TABLE ${SOMELOCATION}\"\". | \n| 2 | MieCalc | Solution to Mie Scattering Theory for a uniformly mixed sphere whose refractive index is a volume weighted average of the aerosol modal component's refractive indicies (Bohren et al., 1998). | \n| 3 | Fast Optics | The default option employed in Binkowski et al. (2007) uses case approximations of Mie Scattering Theory for a uniformly mixed sphere. |\n| 4 | Core-shell + Tabular Mie | Option where the internal structure of an aerosol is represented as a by a black carbon core surrounded by a shell with a volume-averaged refractive index. If the black carbon component of the aerosol modal volume makes up more than one billionth of the modal volume the Coreshell method is used, otherwise an aerosol mode's optical properties are determined by Tabular Mie. |\n| 5 | Core-shell + MieCalc | Option where the internal structure of an aerosol is represented as a by a black carbon core surrounded by a shell with a volume-averaged refractive index. If the black carbon component of the aerosol modal volume makes up more than one billionth of the modal volume the Coreshell method is used, otherwise an aerosol mode's optical properties are determined by MieCalc.|\n| 6 | Core-shell + Fast Optics | Option where the internal structure of an aerosol is represented as a by a black carbon core surrounded by a shell with a volume-averaged refractive index. If the black carbon component of the aerosol modal volume makes up more than one billionth of the modal volume the Coreshell method is used, otherwise an aerosol mode's optical properties are determined by Fast Optics. |\n\n**Selecting the value of AEROSOL_OPTICS is based on several factors**. _How important is light extinction by aerosols in determining photolysis frequencies_ and _how should the model represent the internal structure of aerosols for computing optical properties of aerosol?_ Aerosol concentrations may have large effects on photolysis where they are expected to be high such as fire episodes or polluted urban areas with large emissions of elemental carbon. To compute aerosol optical properties, the model may use an internal aerosol structure assuming a sphere with carbon core surrounded by a uniformly mixed shell. AEROSOL_OPTICS then has a value set to 4 through 6 where Core-shell (Bohren at al., 1998) is used. If such scenarios lack high emissions of elemental carbon, AEROSOL_OPTICS can equal 1 or 2 for more accurately calculating light absorption and scattering by aerosols. Tabular Mie and MieCalc options assume a uniformly mixed sphere to calculate aerosol optical properties. _How accurate do the computed properties need to be?_ If predicted optical properties are going to be compared to observations with large variability or small values such as aerosol scattering coefficient, asymmetry parameter, and absorption aerosol optical depth, the AEROSOL_OPTICS value should equal 2 or 4 that use exact solutions to Mie Scattering Theory. _What is the acceptable run-time of daily simulations?_ Exact solutions of Mie Scattering Theory increase model run-time. Option 2, MieCalc, can increase run-time between 50% to 100% while Core-shell options, 4 through 6, can increase run-time between 100% to 400%. The increase is measured against the oldest and default option, the Fast Optics. Tests indicate that the newest option, Tabular Mie, has similar run-times to Fast Optics but produces results closer to MieCal.\n\n\nThree other ASCII files support the in-line method. **PHOT_OPTICS** describes the optical properties of clouds, aerosols, and the earth’s surface. The **OMI** file is used to determine how much light is absorbed by ozone above the model domain. Both files are included in the released version of CMAQ. Calculating photolysis rates uses one more file, the \n**CSQY_DATA_${Mechanism}** \nfile, that depends on the mechanism used. It contains the cross sections and quantum yields of photolysis rates used by the mechanism. The files are provided for each mechanism in a released version of CMAQ. If a user creates a mechanism using new or additional photolysis rates, they have to create a new **CSQY_DATA_${Mechanism}** file. The [inline_phot_preproc utility][link_6.10.2_II] produces this file based on the Fortran modules describing the mechanism and data files describing the absorption cross-section and quantum yields described for each photolysis reaction. The CCTM RunScript sets values for each file's path through the environment variables OPTICS_DATA, OMI, and CSQY_DATA.\n\nThe phot/table build option uses look-up tables that contain photolysis rates under cloud free conditions based on a fixed meridional cross-section of atmospheric composition, temperature, density and aerosols. The values represent rates as a function of altitude, latitude and the hour angle of the sun on a specified Julian date. In model simulations, the method interpolates rates in the table for the date and corrects them to account for clouds described by the meteorology. Tables are dependent on the photochemical mechanism used. The [jproc utility][link_6.10.2] creates them based on the photochemical mechanism's FORTRAN modules. The CCTM RunScript sets the value for a table's path with the environment variable XJ_DATA.\n\n\n\n \n### 6.10.4 Nitrous Acid (HONO)\n\n\n\n[Return to Top](#Return_to_Top)\n\n\n\nIn CMAQ, HONO is produced from emissions, gas-phase chemical reactions, and a heterogenous reaction on aerosol and ground surfaces. The contribution of emissions to HONO production is accounted for by including HONO emissions estimates from certain combustion sources. Each gas-phase chemical mechanism contains several gas-phase chemical reactions which also contributes to the HONO production. The heterogeneous production of HONO from the interaction of NO2 on aerosol surface is accounted for by including a heterogeneous reaction in the chemical mechanism. The heterogeneous production of HONO from the interaction of NO2 on ground surface is included in the air-surface exchange calculation and is controlled by the following RunScript flag:\n\n```\nsetenv CTM_SFC_HONO Y \n```\n\nCMAQ uses a default setting of Y to include the production of HONO from the heterogeneous reaction on ground surface. Ground surface areas for buildings and other structures for urban environments is assumed to be proportional to the percent urban area in any grid cell. This data is usually available via MCIP represented by the variable PURB, however, in some instances this data may not be available. If the data is not available, the model assumes the percent urban area to be 0.0 which will inhibit the heterogeneous reaction on buildings and other structures for urban environments causing lower predicted HONO.\n\nThe user can set it to N to exclude the heterogeneous production from the reaction. Note that the default setting for the inline deposition calculation (CTM_ILDEPV) flag is Y. If the flag is changed to N, then the production of HONO from the heterogeneous reaction on ground surface will not work properly. Additional description of the HONO chemistry in CMAQ can be found in Sarwar et al. (2008).\n\n\n### 6.10.5 CRACMM Version 1.0-2.0\n\n\n\n[Return to Top](#Return_to_Top)\n\n\n\nThe Community Regional Atmospheric Chemistry Multiphase Mechanism (CRACMM) builds on the history of the Regional Atmospheric Chemistry Mechanism, Version 2 (RACM2) and aims to couple gas- and particle-phase chemistry by treating the entire pool of atmospheric reactive organic carbon (ROC) relevant to present-day emissions. CRACMM species were developed to represent the total emissions of ROC, considering the OH reactivity, ability to form ozone and secondary organic aerosol (SOA), and other properties of individual emitted compounds. The chemistry of CRACMM, which includes autoxidation, multigenerational oxidation, and the treatment of semivolatile and intermediate volatility compounds, was built using a variety of sources including literature and other mechanisms (RACM2, MCM, GECKO, and SAPRC18/mechgen). \n\nCRACMM is available in three versions: CRACMMv1 and CRACMMv1AMORE originally implemented in CMAQv5.4 and CRACMMv2 introduced in CMAQv5.5. The development of CRACMMv1 is described by Pye et al. (2023) and the application of CRACMMv1 within CMAQ to the northeast U.S. in summer 2018 as well as comparison with other mechanisms is presented by Place et al. (2023). CRACMMv1AMORE replaces the base isoprene chemistry of CRACMMv1 (which was ported from RACM2) with a graph theory-based condensation of a detailed isoprene mechanism developed by Prof. Faye McNeill's team at Columbia University (Wiser et al., 2023). CRACMMv2 is an update to both CRACMMv1 and CRACMMv1AMORE. Developments in CRACMMv2 targeted improvements to formaldehyde and resulted in updates in other systems as well (Skipper et al., 2024).\n\nWhen selected as the gas-phase mechanism, use of CRACMM fully specifies CMAQ's aerosol treatment. CRACMM was designed as a multiphase mechanism and thus includes pathways to SOA and precursors to inorganic aerosol. The aero versioned by number no longer applies, and potential combustion SOA (pcSOA) is deprecated in CRACMM. Methane reaction with OH is considered and background methane is set to a fixed concentration of 1.85 ppm by default, roughly mathching global conditions in the later part of the 2010s. Year or location specific [methane concentrations](https://gml.noaa.gov/ccgg/trends_ch4/) could be used (see the end of the mechanism definition file to make the update). Emissions of methane on top of background levels can also be considered in CRACMMv2.\n\nOne feature of CRACMM is the specification of representative structures for all species in the mechanism. This information is available as metadata describing all gas, particulate, and nonreactive species. Metadata exists in (csv-separated) columns appended to the species namelist files and in a new species description file. The information is not used at runtime by the CMAQ simulation, but should be updated if CRACMM species are updated to facilitate communication of how mechanism species are conceptualized. The metadata is leveraged to determine conservation of mass across chemical reactions (see the CHEMMECH README in the UTIL directory), determination of species properties such as solubility, and to communicate how species are conceptualized. Supplemental code automatically processes the metadata into markdown files for the CMAQ code repository.\n\n#### CRACMM Species Description File\nCRACMM mechanisms have a species description file (located in MECHS/cracmm1_aq/cracmm1_speciesdescription.csv and MECHS/cracmm2/cracmm2_speciesdescription.csv) where the species in the mechanism are described. This file is a simple csv file with two values per line: \n\n- Species name (string): All the GC.nml, AE.nml, and NR.nml species excluding phase (V,A) and particle size mode (I,J,K) identifiers\n- Description (string): string describing the species\n\nThe description should reflect the lumped nature of the category if the species is lumped. For example, the entry for HC10 is:\n\n- HC10,Alkanes and other species with HO rate constant greater than 6.8x10-12 cm3 s-1\n\nIn the case of emitted species, the actual emitted individual species mapped to a mechanism species is based on a hierarchy of rules as described by Pye et al. (2023) with supporting code available on github at [USEPA/CRACMM](https://usepa.github.io/CRACMM/). For example, HC10 is one of the last species to be mapped to in the hierarchy and all semi and intermediate volatility compounds (S/IVOCs) as well as those with aromaticity or double bonds have already been mapped to other mechanism species. Consult the official hierarchy of emission mapping to get the full definition for emitted species.\n\nNote that CRACMM mechanisms include some species that can partition between the gas and aerosol phase and thus have both a gas-phase component (in the GC.nml) and particulate component (in the AE.nml). Rather than entering the same description for each phase, species that have multiphase components should be entered once and the phase identifier (V prepended on a gas species in GC.nml (if used) or A prepended on a particulate species in AE.nml) should not be included. In addition, separate entries are not needed for a species existing in multiple size modes. For example, this is the entry describing the species OP3 which exists in the GC.nml as OP3 and in the particle as AOP3J:\n\n- OP3,Semivolatile organic peroxide\n\nAs another example, this describes a species, that exists in the gas phase as VROCP3OXY2 and in the particle as AROCP3OXY2J: \n\n- ROCP3OXY2,Oxygenated ROC species with C* of 10+3 ug/m3 and O:C of 0.2\n\nSee information below about the python code to create markdown files and what characters will be recognized and autoformatted. In general, species that exist in two phases with the gas phase species identified as 'VROCname' and the particle as 'AROCname' will be automatically matched. Exceptions (currently AHOM-HOM, AELHOM-ELHOM, AOP3-OP3) can be manually added in the python code.\n\n#### CRACMM Metadata in Species nml\nAll mechanisms in CMAQ use namelists to specify the gas-phase (GC.nml), particle phase (AE.nml), and nonreactive (NR.nml) species. In cracmm mechanisms, the namelists are appended with the following information:\n\n- RepCmp (string): Representative compound following IUPAC or other common nomenclature.\n- ExplicitorLumped (E or L): indication if the species represents an individual, explicit compound (E) or aggregation of several structures and is thus lumped (L).\n- DTXSID (string): if available, an identifier from the [EPA Chemicals Dashboard](https://comptox.epa.gov/dashboard/) for the RepCMP. If unavailable, use NA.\n- SMILES (string): A [SMILES string](https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system) string for the RepCmp.\n\nFor example, here is the metadata for HC10:\n\n- Decane,L,DTXSID6024913,CCCCCCCCCC\n\nIn general, molecular weights (MOLWT) in the namelists should match the representative compound (RepCmp) structure. If a species is highly aggregated and the representative structure is a very poor representation of the class, the molecular weight may be set independently of the RepCmp. When properties of mechanism species such as Henry's law coefficients or vapor pressures are needed, we recommend using OPERA algorithms (Mansouri et al.) which can be accessed in the EPA Chemicals Dashboard for a curated set of compounds or via the Chemical Transformation Simulator (CTS) (https://qed.epa.gov/cts/pchemprop/) for any SMILES string.\n\nFor species that exist in multiple phases, the metadata should only be specified in the GC.nml.\n\n#### CRACMM supporting code archive\nA supporting code archive is distributed at [USEPA/CRACMM](https://usepa.github.io/CRACMM/) to provide information that can be used by other models to implement CRACMM. This information includes documentation on how individual species map to the mechanism (available schematically and in python code), inputs to models such as Speciation Tool and SMOKE, and mapping of the SPECIATE database to CRACMM.\n\nOne of the python routines available in the archive combines the CRACMM species information from the CMAQ namelists and species description file to create the species markdown files in (MECHS/mechanism_information). The processor will automatically format the following strings in markdown if used in the species description file:\n\n| Species Description File String | Converted String in Github Markdown Rendering |\n| --- | ---|\n| 'ug/m3' | 'μg m-3' |\n| 'log10C' | 'log10C' |\n| 'kOH' | 'kOH' |\n| 'cm3' | 'cm3' |\n| 's-1' | 's-1' |\n| '10-10' | '10-10' |\n| '10-11' | '10-11' |\n| '10-12' | '10-12' |\n| '10-13' | '10-13' |\n| '10-14' | '10-14' |\n| '10-2' | '10-2' |\n| '10-1' | '10-1' |\n| '10+1' | '10+1' |\n| '10+2' | '10+2' |\n| '10+3' | '10+3' |\n| '10+4' | '10+4' |\n| '10+5' | '10+5' |\n| '10+6' | '10+6' |\n\nThe python code creates the mechanism specific species markdown file based on the intersection of what exists in the namelists and species description file which is why the two CRACMM flavors share the same species description file.\n\nIn cases where a species exists in the gas and particle phase (e.g., AOP3J and OP3) the python code also checks that the molecular weights match across the phases and will print a warning (\">>gas and particle molecular weights have an inconsistency<<\") if they are not an exact match and will print \">>gas and particle molecular weights match<<\" if they do match.\n\n\n\n\n## 6.11 Aerosol Dynamics and Chemistry\n\n\n\n[Return to Top](#Return_to_Top)\n\n\n\nParticulate Matter (PM) can be either primary (directly emitted) or secondary (formed in the atmosphere) and from natural or anthropogenic (man-made) sources. Secondary sources include gas-phase oxidation of SO2 to sulfate, condensation of ammonia and nitrate, and oxidation of gas-phase VOCs such as isoprene, monoterpenes, aromatics, and alkanes. Cloud processes also contribute to the formation of PM; for example, aqueous oxidation of sulfur dioxide in cloud droplets is a significant pathway for production of particulate sulfate. CCTM represents PM size using three interacting lognormal distributions, or modes. Two modes (Aitken and accumulation) are generally less than 2.5 μm in diameter while the coarse mode contains significant amounts of mass above 2.5 μm. PM2.5 and PM10, species aggregate metrics within the NAAQS, can be obtained from the model-predicted mass concentration and size distribution information.\n\nThe 6th generation CMAQ aerosol module (AERO6) was introduced in CMAQv5.0.2 and expanded the chemical speciation of PM. Eight new PM species were added to CMAQ in AERO6: Al, Ca, Fe, Si, Ti, Mg, K, and Mn. Four species that were explicitly treated in previous versions of CMAQ but were not modeled can now be treated as primary anthropogenic species: H2O, Na, Cl, and NH4. The PM emissions mass that remains after speciation into the new components is now input to the model as PMOTHER. AERO6 requires 18 PM emissions species: OC, EC, sulfate, nitrate, H2O, Na, Cl, NH4, NCOM, Al, Ca, Fe, Si, Ti, Mg, K, Mn, and Other (Reff et al., 2009). AERO6 continued to be incrementally updated in CMAQ v5.1-5.2.1 (see https://www.epa.gov/cmaq/how-cite-cmaq or release notes for when specific updates occured).\n\nThe 7th generation aerosol module (AERO7) was introduced in CMAQv5.3 with modifications and updates to the speciation and prediction of organic aerosols. For computational efficiency, the 2-product style speciation for SOA species from traditional aromatic VOC precursors (alkanes, toluene, xylenes, and benzene) was replaced with four surrogate species with specific vapor pressures, following a VBS-style approaches used widely in models. In addition, the yield of organic aerosol from monoterpene reactions with OH and ozone was increased, and monoterpene organic nitrates were explicitly treated as a SOA source. The treatment of alpha-pinene was been made explicit in AERO7 in order to exclude alpha-pinene reactions with nitrate as a source of SOA. If users are employing online biogenic VOC emissions (via BEIS), then the alpha-pinene emissions will be treated correctly. If however, users are providing biogenic emissions to CMAQ from offline and only TERP is specified, we recommend scaling the alpha-pinene emissions to 30% of the total TERP emisisons and treating the remaining 70% of emitted TERP as TERP in CMAQ. This can be accomplished with the DESID emissions interface. AERO7 also includes consideration of water uptake to the organic particle phase (ORGH2O).\n\nThe CRACMM aerosol module is introduced in CMAQv5.4. Since CRACMM is a fully coupled gas and particle mechanism, the use of CRACMM for the gas phase automatically specifies the use of a specific aerosol treatment. See the chemistry section for more information on [CRACMM](#6.10.5_CRACMM).\n\nSelection of the aerosol module (CRACMM, AERO7, or AERO6) is accomplished through selection of the chemical mechanism in the build script as described in section 6.10 and [Table 6-3](#Table6-3). Starting in CMAQv5.4, the bldit script will select the aerosol module by parsing the gas-phase mechanism string name. The aerosol microphysics (i.e. coagulation, condensation, new particle formation, deposition, etc.) are consistent for the three modules. The modules differ by the chemical species used to treat the PM constituents.\n\nAll aerosol mechanisms available in CMAQv5.5 are compatible with semivolatile primary organic aerosol (POA). For the nonvolatile POA configuration, mass is tracked separately in terms of its carbon (OC) and non-carbon (NCOM) content. With this approach in AERO6 and AERO7, mass can be added to the non-carbon species to simulate the aging of POA in response to atmospheric oxidants. Simon and Bhave (2012) document the implementation of the second-order reaction between primary organic carbon and OH radicals. The semivolatile POA configuration segregates POA into several model species based on a combination of volatility and oxidation state. In AERO6/7, there are five POA species at low oxidation state representing low volatility, semivolatile and intermediate volatility compounds (LVPO1, SVPO1, SVPO2, SVPO3, IVPO1). As the gas-phase species (e.g. VLVPO1) oxidize with OH they form species with higher oxidation state (i.e. LVOO1, LVOO2, SVOO1, SVOO2, SVOO3). The multigenerational aging chemistry for the semivolatile POA configuration is derived from the approach of Donahue et al. (2012) which takes into account the functionalization and fragmentation of organic vapors upon oxidation. The semivolatile POA configuration also includes the option (on by default) of potential secondary organic aerosol from combustion sources (pcSOA). This species is emitted as a VOC (pcVOC) and forms SOA after reaction with OH. The emissions of pcVOC may be zeroed out by the user for specific sources using the DESID emissions control file; zeroing out pcVOC emissions is recommended for biomass and wood burning sources.\n\nCRACMM includes a series of semivolate and intermediate volatility compounds with alkane-like and oxygenated functionality that can represent semivolatile POA emissions as well as oxidation products (ROCALK and ROCOXY species). By default, volatility profiles are applied to POA emissions in CRACMM using the DESID module as in AERO6/7. In the future, semivolatile emissions will be directly propagated to the mechanism via the emissions processing infrastructure. CRACMM does not include heterogenous aging of nonvolatile POA, but POC and NCOM are available as tracer species that can be advected. pcSOA is not available in CRACMM and has been replaced by other SOA systems.\n\nAll aerosol modules use ISORROPIA v2.2 in the reverse mode to calculate the condensation/evaporation of volatile inorganic gases to/from the gas-phase concentrations of known coarse particle surfaces. ISORROPIA is also used in the forward mode to calculate instantaneous thermodynamic equilibrium between the gas and fine-particle modes. The mass transfer of all semivolatile organic species is calculated assuming equilibrium absorptive partitioning, although some nonvolatile species do exist (e.g. cloud-processed organic aerosol, oligomers, nonvolatile POA (if selected)).\n\nCMAQ can output the reduction in visual range caused by the presence of PM, perceived as haze. CCTM integrates Mie scattering (a generalized particulate light-scattering mechanism that follows from the laws of electromagnetism applied to particulate matter) over the entire range of particle sizes to obtain a single visibility value for each model grid cell at each time step. More detailed descriptions of the PM calculation techniques used in CCTM can be found in Binkowski and Shankar (1995), Binkowski and Roselle (2003), and Byun and Schere (2006).\n\nFor easier comparison of CMAQ's output PM values with measurements, time-dependent cutoff fractions may be output by the model (e.g. Jiang et al., 2006). These include quantities for describing the fraction of each mode that would be categorized as PM2.5 (i.e. PM25AT, PM25AC, and PM25CO) and PM1.0 (i.e. PM1AT, PM1AC, and PM1CO) as well as the fraction of particles from each mode that would be detected by an AMS (i.e AMSAT, AMSAC, and AMSCO). There is also a surface interaction module in the multipollutant version of CMAQ that calculates the flux of mercury to and from the surface (rather than just depositing mercury).\n\nFurther discussion on the scientific improvements to the CMAQ PM treatment is available in the release notes.\n \n\n\n### 6.11.1 Aerosol Boundary and Initial Conditions\n\n\n\n[Return to Top](#Return_to_Top)\n\n\n\nThe Modal Aerosol approach in CMAQ uses three parameters to describe the population density of particles in size space (i.e. to parameterize the log-normal size distirbutions). These parameters are the zeroth moment (M0), which is also the Number concentration (N), the second moment (M2), which is proportional to bulk particle surface area (S), and the third moment (M3), which is proportional to bulk particle volume (V) and thus mass (M). The third moment is specified in the initial and boundary condition files in terms of the individual mass concentrations of each particle species in each mode. These mass concentrations are summed up to get M and then converted to M3. The values for M0 and M2 from the boundary and initial conditions are then used to calculate the mean diamter and standard deviation of all three log-normal modes. Each moment, M0, M2, and the speciated mass concentrations, are then transported throughout the model domain.\n\nIf number concentration is missing or zero from the boundary or initial conditions, then the mean diameter and standard deviation for that mode are set to a default and M0 and M2 are calculated based on these assumptions. \n\nIf number concentration is present and nonzero, but M2 is missing or zero, then the modal standard deviation is set to a default and the diameter is calculated to be consistent with the total mass and number concentrations. The user may explicitly direct CMAQ to ignore the M2 concentration from the boundary conditions by setting an environment variable to false:\n```\nsetenv BC_AERO_M2USE F #(default: T)\nsetenv IC_AERO_M2USE F #(default: T)\n```\nThis may be an attractive option if the values of M2 have become corrupted or unstable to due to interpolation of boundary or initial conditions in space and time. The impact of this option on fine and coarse mode particle mass concentrations is shown below. There is a substantially larger impact on coarse particles than on fine particles, especially near the boundaries.\n\n\n![image](./images/Figure_6-11_1.png) \nDeviation in total fine particle mass concentration in $\\mu g \\ m^{-3}$.\n\n![image](./images/Figure_6-11_2.png) \nDeviation in total coarse particle mass concentration in $\\mu g \\ m^{-3}$.\n\nThe initial conditions are not expected to have such large impact on model results because model output data are used to begin every model restart (e.g. at the end of a day). It is expected that the user will give ample model spin-up time so that the impact of initial conditions issues is unlikely. \n\nIt is recommended to set BC_AERO_M2USE to True if boundary conditions were created with CMAQv5.4 or later. If boundary or initial conditions were made with CMAQv5.3 or before, then the definition of M2 did not include semivolatile organic compounds and should not be trusted to be compatible with CMAQv5.5 and beyond. In this case, set BC_AERO_M2USE to False. \n\nUsers may also specify if the boundary or initial conditions provided are applicable to wet or dry particle size distributions (i.e. is water included in the calculation of M2?). The following environment variable toggles this selection:\n```\nsetenv BC_AERO_M2WET F #(default: F, consistent with dry particle size distribution)\nsetenv IC_AERO_M2WET F #(default: F, consistent with dry particle size distribution)\n```\nUnless specifically known otherwise, it is most often the case that M2 or particle surface area is calculated in terms of the dry particle size distribution.\n\n\n\n## 6.12 Aqueous Chemistry, Scavenging and Wet Deposition\n\n\n\n[Return to Top](#Return_to_Top)\n\n\n\nClouds are an important component of air quality modeling and play a key role in aqueous chemical reactions, vertical mixing of pollutants, and removal of pollutants by wet deposition. Clouds also indirectly affect pollutant concentrations by altering the solar radiation, which in turn affects photochemical pollutants (such as ozone) and the flux of biogenic emissions. The cloud module in CMAQ performs several functions related to cloud physics and chemistry. Three types of clouds are modeled in CMAQ: sub-grid convective precipitating clouds, sub-grid nonprecipitating clouds, and grid-resolved clouds. Grid-resolved clouds are provided by the meteorological model and no additional diagnosis is performed by CMAQ for those clouds. For the two types of sub-grid clouds, the cloud module in CCTM vertically redistributes pollutants, calculates in-cloud and precipitation scavenging, performs aqueous chemistry calculations, and accumulates wet deposition amounts. Aqueous chemistry and scavenging is calculated for resolved clouds as well, using the cell liquid water content and precipitation from the meteorological model.\n\nWhen liquid water content (LWC), represented as the sum of cloud water, rain water, and graupel, in a cell (or column average in the case of sub-grid clouds) exceeds a critical threshold of 0.01 gm-3, a call is made to the cloud chemistry module where in-cloud scavenging and wet deposition are calculated in addition to aqueous phase chemistry. Accumulation and coarse mode aerosols are assumed to be instantaneously activated (i.e., nucleation scavenging), and Aitken mode particles (i.e., interstitial aerosol) are scavenged by the cloud droplets for the duration of cloud processing (Binkowski and Roselle, 2003). Gas phase species that participate in aqueous chemistry are taken up into the cloud water according to their Henry’s Law coefficient, dissociation constants, and droplet pH. For each cloud chemistry time step, dissolved gas and aerosol species and associated ions are deposited out of the system according to a scavenging rate that is based on precipitation rate, cloud/layer thickness, and total water content (i.e., the sum of cloud water, rain water, graupel, ice, and snow). When the liquid water content does not exceed the threshold to call the cloud chemistry module (or for all species that do not participate in cloud chemistry), the wet deposition is calculated in a similar way in the “scavwdep” subroutine. Using the same expression for the washout coefficient as in the aqueous chemistry module, aerosol species are subject to wet removal assuming they are incorporated into cloud/rain water as above; while the fraction of gas phase species’ concentrations subject to wet removal is a function of their effective Henry’s Law coefficients at a prescribed droplet pH of 4. Essentially what is represented in CMAQ is in-cloud scavenging (or “rainout”); though arguably some effects of below-cloud scavenging (or “washout”) may also be represented by including rain water in the LWC considered in calling/calculating cloud chemistry, as well as calculating aqueous chemistry and scavenging for the column (extending from the cloud top to the ground) in the case of sub-grid raining clouds. Explicit treatment of below-cloud scavenging (e.g., impaction scavenging of below-cloud aerosols by rain drops and snow) is not implemented at this time. \n\nCMAQ’s standard cloud chemistry treatment (AQCHEM) estimates sulfate production from five sulfur oxidation pathways and also includes a simple parameterization to estimate secondary organic aerosol formation from the reactions of glyoxal and methylglyoxal with the hydroxyl radical. The distribution between gas and aqueous phases is determined by instantaneous Henry’s law equilibrium, and the bisection method is used to estimate pH (and the distribution of ionic species) assuming electroneutrality. Beginning with CMAQv5.1 a new set of options for cloud chemistry (currently, KMT version 2 or \"KMT2\") was introduced that relies on the Kinetic PreProcessor (KPP), version 2.2.3 (Damian et al., 2002) to generate a Rosenbrock integrator to solve the chemical kinetics, ionic dissociation, wet deposition, and kinetic mass transfer (Schwartz, 1986) between the gas and aqueous phases in CMAQ clouds (Fahey et al., 2017). In addition to the five sulfur reactions in the standard cloud chemistry module, KMT2 replaces the simple in-cloud yield parameterization of SOA from glyoxal and methylglyoxal with a more mechanistic representation of the multi-step formation of oxalic acid/oxalate and other organic acids (assumed here to remain in the aerosol phase after cloud droplet evaporation) from the reactions of hydroxyl radical with glyoxal, methylglyoxal, glycolaldehyde, and acetic acid (Lim et al., 2005; Tan et al., 2009; Lim et al., 2013). KMT2 also includes in-cloud SOA formation from biogenic-derived epoxides (Pye et al., 2013) as well additional reactions for S, N, O-H, and C species (Leriche et al., 2013; Warneck, 1999; Lee and Schwartz, 1983). \n\nKMT2 can be significantly more computationally demanding than standard AQCHEM and may be thus better suited for research applications, particularly those investigating cloud/fog events or the evolution of species whose concentrations are potentially heavily influenced by cloud processing and not explicitly represented in the standard AQCHEM mechanism (e.g., oxalate). For simulations where the primary focus is on simulating ozone or total PM2.5 concentrations, especially for longer-term averages, standard AQCHEM would likely capture the most important cloud chemistry impacts (i.e., sulfate formation from the main aqueous oxidation pathways) and is significantly more computationally efficient.\n\nTo invoke the default AQCHEM cloud chemistry option, the BuildScript under the CCTM Science Modules section should be set as follows: \n\n```\nset ModCloud = cloud/acm_ae7\n```\n\nFor the AQCHEM-KMT2 cloud chemistry option, use the following option in the BuildScript: \n```\nset ModCloud = cloud/acm_ae7_kmt2\n```\n\nAQCHEM-KMT2 should only be used in conjunction with the cb6r5_ae7 or saprc07tic_ae7i gas phase chemical mechanisms; i.e., in the BuildScript:\n\n```\nset Mechanism = cb6r5_ae7_aqkmt2\n```\nOR\n\n```\nset Mechanism = saprc07tic_ae7i_aqkmt2\n```\n\nFor toxics/Hg simulations (using the gas phase “cb6mp_ae6_aq” mechanism), one may also invoke the complementary cloud chemistry routine that includes aqueous phase chemistry for some toxic species in addition to the default chemistry:\n\n```\nset ModCloud = cloud/acm_ae6_mp\n```\n\n\n\n## 6.13 Potential Vorticity Scaling\n\n\n\n[Return to Top](#Return_to_Top)\n\n\n\nSince cross-tropopause transport of O3 can be a significant contributor to the tropospheric O3 budget, accurately characterizing the fraction of O3 in the troposphere, especially at the surface, that is of stratospheric origin is of interest in many model applications. This fraction varies spatially and seasonally in response to the tropopause height, and perhaps even more episodically, from deep intrusion events associated with weather patterns and frontal movement (e.g., Mathur et al., 2017). Potential vorticity (PV; 1 PV unit = 106 m2 K kg-1 s-1) has been shown to be a robust indicator of air mass exchange between the stratosphere and the troposphere with strong positive correlation with O3 and other trace species transported from the stratosphere to the upper troposphere (Danielsen, 1968). This correlation can be used to develop scaling factors that specify O3 in the modelled upper troposphere/lower stratosphere (UTLS) based on estimated PV. CMAQ uses a dynamical PV-scaling parameterization developed by correlating model potential vorticity fields and measured O3 (from World Ozone and Ultraviolet Radiation Data Centre) between 100-50mb over a 21-year period. This generalized parameterization, detailed in Xing et al. (2016), can dynamically represent O3 in the UTLS across the Northern Hemisphere. The implementation of the new function significantly improves CMAQ's simulation of UTLS O3 in both magnitude and seasonality compared to observations, which results in a more accurate simulation of the vertical distribution of O3 across the Northern Hemisphere (Xing et al., 2016; Mathur et al., 2017). It should be noted that to represent stratosphere-troposphere exchange of O3, appropriate vertical grid resolution near the tropopause should also be used with the PV scaling scheme.\n\nTo invoke the potential vorticity scaling of modeled O3 in the upper layers (100-50mb), \n```\nsetenv CTM_PVO3 Y\n```\nshould be specified in the RunScript. Also, potential vorticity fields must be available in the METCRO3D files generated by MCIP. This is enabled by setting LPV = 1 in the MCIP runscript.\n\n\n\n## 6.14 References\nBash, J.O. (2010). 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Peckham (2006), Evolution of ozone, particulates, and aerosol direct radiative forcing in the vicinity of Houston using a fully coupledmeteorology-chemistry-aerosol model,J. Geophys. Res.,111, D21305, doi:10.1029/2005JD006721\n\nForoutan, H., J. Young, S. Napelenok, L. Ran, K. W. Appel, R. C. Gilliam, and J. E. Pleim (2017), Development and evaluation of a physics-based windblown dust emission scheme implemented in the CMAQ modeling system, J. Adv. Model. Earth Syst., 9, 585–608, doi:10.1002/2016MS000823\n\nGantt, B., Kelly, J.T., & Bash, J.O. (2015). Updating sea spray aerosol emissions in the Community Multiscale Air Quality (CMAQ) model version 5.0.2. Geosci. Model Dev., 8, 3733-3746. [doi:10.5194/gmd-8-3733-2015](https://doi.org/10.5194/gmd-8-3733-2015).\n\nGiorgi, F. (1986). A particle dry-deposition parameterization scheme for use in tracer transport models. J. Geophys. Res., 91(D9), 9794-9806.\n\nGong, S.L. (2003). 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Differences between CMAQ fine mode particle and PM2.5concentrations and their impact on model performance evaluation in the lower Fraser valley. Atmos. Environ., 40, 4973–4985.\n\nKang, D., Hogrefe, C., Sarwar, G., East, J.D., Madden, J.M., Mathur, R., & Henderson, B.H. (2022). Assessing the Impact of Lightning NOx Emissions in CMAQ\nUsing Lightning Flash Data from WWLLN over the Contiguous United States. Atmosphere 2022, 13, 1248. [doi:10.3390/atmos13081248](https://doi.org/10.3390/atmos13081248).\n\nKang, D., Pickering, K., Allen, D., Foley, K., Wong, D., Mathur, R., & Roselle, S. (2019). Simulating lightning NOX production in CMAQv5.2: Evolution of scientific updates. Geosci. Model Dev. Discuss.,1-23. [doi:10.5194/gmd-2019-33](https://doi.org/10.5194/gmd-2019-33).\n\nKelly, J.T., Bhave, P.V., Nolte, C.G., Shankar, U., & Foley, K.M. (2010).Simulating emission and chemical evolution of coarse sea-salt particles in the Community Multiscale Air Quality (CMAQ) model. Geosci. Model Dev., 3, 257-273. [doi: 10.5194/gmd-3-257-2010](https://doi.org/10.5194/gmd-3-257-2010).\n\nLee, Y.N. & Schwartz, S.E. (1983). Kinetics of oxidation of aqueous sulfur(IV) by nitrogen dioxide. In H.R. Pruppacher et al. (eds.), precipitation scavenging, dry deposition, and resuspension, version 1. Elsevier.\n\nLeriche, M., Pinty, J.P., Mari, C., & Gazen, D. (2013). A cloud chemistry module for the 3-D cloud-resolving mesoscale model Meso-NH with application to idealized cases. Geosci. Mod. Dev., 6, 1275-1298.\n\nLim, H., Carlton, A.G., & Turpin, B.J. (2005). Isoprene forms secondary organic aerosol through cloud processing: model simulations. Environ. Sci. Technol., 39, 4441–4446.\n\nLim, Y.B., Tan, Y., & Turpin, B.J. (2013). Chemical insights, explicit chemistry, and yields of secondary organic aerosol from OH radical oxidation of methylglyoxal and glyoxal in the aqueous phase, Atmos. Chem. Phys., 13, 8651–8667.\n\nMassad, R.S., Nemitz, E., Sutton, M.A. (2010). Review and parameterization of bi-directional ammonia exchange between vegetation and the atmosphere. Atmos. Chem. Phys., 10, 10359-10386.\n\nMathur, R. & Peters, L.K. (1990). Adjustment of wind fields for application in air pollution modeling, Atmos. Environ., 24(5), 1095-1106.\n\nMathur, R., Xing, J., Gilliam, R., Sarwar, G., Hogrefe, C., Pleim, J., Pouliot, G., Roselle, S., Spero, T. L., Wong, D. C., and Young, J. (2017) Extending the Community Multiscale Air Quality (CMAQ) modeling system to hemispheric scales: overview of process considerations and initial applications, Atmos. Chem. Phys., 17, 12449-12474, [doi: 10.5194/acp-17-12449-2017](https://doi.org/10.5194/acp-17-12449-2017).\n\nMurphy, B.N., Woody, M.C., Jimenez, J.L., Carlton, A.M.G., Hayes, P.L., Liu, S., Ng, N.L., Russell, L.M., Setyan, A., Xu, L., Young, J., Zaveri, R.A., Zhang, Q., & Pye, H.O.T. (2017). Semivolatile POA and parameterized total combustion SOA in CMAQv5.2: impacts on source strength and partitioning. Atmospheric Chemistry and Physics, 17 (18), 11107-11133, [doi:10.5194/acp-17-11107-2017](https://doi.org/10.5194/acp-17-11107-2017).\n\nNemitz, E., Milford, C., Sutton, M.A. (2001). A two-layer canopy compensation point model for describing bi-directional biosphere-atmosphere exchange of ammonia. Q. J. Roy. Meteor. Soc.,127, 815-833.\n\nOdman, M.T., & Russell, A.G. (2000). Mass conservative coupling of non-hydrostatic meteorological models with air quality models, in Air Pollution Modelling and Its Application XIII, edited by S.-E. Gryning and E. Batchvarova. Kluwer Academic/Plenum Publishers, New York, 651-660.\n\nOvadnevaite, J., Manders, A., de Leeuw, G., Ceburnis, D., Monahan, C., Partanen, A.I., Korhonen, H., & O'Dowd, C. D. (2014). A sea spray aerosol flux parameterization encapsulating wave state. Atmos. Chem. Phys., 14, 1837-1852. [doi: 10.5194/acp-14-1837-2014](https://doi.org/10.5194/acp-14-1837-2014).\n\nPlace, B. K., Hutzell, W. T., Appel, K. W., Farrell, S., Valin, L., Murphy, B. N., Seltzer, K. M., Sarwar, G., Allen, C., Piletic, I. R., D'Ambro, E. L., Saunders, E., Simon, H., Torres-Vasquez, A., Pleim, J., Schwantes, R. H., Coggon, M. M., Xu, L., Stockwell, W. R., and Pye, H. O. T. (2023). Sensitivity of northeastern US surface ozone predictions to the representation of atmospheric chemistry in the Community Regional Atmospheric Chemistry Multiphase Mechanism (CRACMMv1.0), Atmospheric Chemistry and Physics, 23, 9173-9190, [doi:10.5194/acp-23-9173-2023](https://doi.org/10.5194/acp-23-9173-2023).\n\nPleim, J., Venkatram, A., Yamartino, R. (1984). ADOM/TADAP Model development program: The dry deposition module. Ontario Ministry of the Environment, 4.\n\nPleim, J.E. (2007a). A combined local and nonlocal closure model for the atmospheric boundary layer. Part I: Model description and testing. Journal of Applied Meteorology and Climatology, 46(9), 1383-1395.\n\nPleim, J.E. (2007b). A combined local and nonlocal closure model for the atmospheric boundary layer. Part II: Application and evaluation in a mesoscale meteorological model. Journal of Applied Meteorology and Climatology, 46(9), 1396-1409.\n\nPleim, J., & Ran, L. (2011). Surface flux modeling for air quality applications. Atmosphere, 2(3), 271-302.\n\nPleim, J. E., Ran, L., Appel, W., Shephard, M.W., & Cady-Pereira K. (2019). New bidirectional ammonia flux model in an air quality model coupled with an agricultural model. Journal of Advances in Modeling Earth Systems, 11, 2934-2957, [doi: 10.1029/2019MS001728](https://doi.org/10.1029/2019MS001728).\n\nPleim, J.E., Ran, L., Saylor, R.D., Willison, J. and Binkowski, F.S. (2022). A new aerosol dry deposition model for air quality and climate modeling. Journal of Advances in Modeling Earth Systems, 14(11), p.e2022MS003050, [doi: 10.1029/2022MS003050]( https://doi.org/10.1029/2022MS003050).\n\nPye, H.O.T., Pinder, R.W., Piletic, I.R., Xie, Y., Capps, S.L., Lin, Y.H., Surratt, J.D., Zhang, Z.F., Gold, A., Luecken, D.J., Hutzell W.T., Jaoui, M., Offenberg, J.H., Kleindienst, T.E., Lewandowski, M., & Edney, E.O. (2013). Epoxide pathways improve model predictions of isoprene markers and reveal key role of acidity in aerosol formation. Environ. Sci. Technol., 47(19), 11056-11064.\n\nPye, H. O. T., Place, B. K., Murphy, B. N., Seltzer, K. M., D'Ambro, E. L., Allen, C., Piletic, I. R., Farrell, S., Schwantes, R. H., Coggon, M. M., Saunders, E., Xu, L., Sarwar, G., Hutzell, W. T., Foley, K. M., Pouliot, G., Bash, J., & Stockwell, W. R. (2023). Linking gas, particulate, and toxic endpoints to air emissions in the Community Regional Atmospheric Chemistry Multiphase Mechanism (CRACMM), Atmospheric Chemistry and Physics, 23, 5043-5099, [doi:10.5194/acp-23-5043-2023](https://doi.org/10.5194/acp-23-5043-2023).\n\nRan, L., Cooter, E., Benson, V., & He, Q. (2011). Chapter 36: Development of an agricultural fertilizer modeling system for bi-directional ammonia fluxes in the CMAQ model. In D. G. Steyn, & S. Trini Castelli (Eds.), air pollution modeling and its application XXI. Springer, 213-219.\n\nReff, A., Bhave, P.V., Simon, H., Pace, T.G., Pouliot, G.A., Mobley, J.D., & Houyoux, M. (2009). Emissions inventory of PM2.5 trace elements across the United States. Env. Sci. & Technol. 43, 5790-5796.\n\nSandu, A., Verwer, J.G., Blom, J.G., Spee, E.J., Carmichael, G.R., & Potra, F.A. (1997). Benchmarking stiff ODE solvers for atmospheric chemistry problems. II: Rosenbrock solvers. Atmos. Environ., 31, 3459–3472.\n\nSarwar, G., Gantt, B.; Schwede, D.; Foley, K.; Mathur, R.; Saiz-Lopez, A. 2015. Impact of enhanced ozone deposition and halogen chemistry on tropospheric ozone over the Northern Hemisphere. Environmental Science & Technology, 49(15): 9203-9211.\n\nSarwar, G., Gantt, B., Foley, K., Fahey, K., Spero, T.L., Kang, D., Mathur, R., Foroutan, H., Xing, J., Sherwen, T., Saiz-Lopez, A. 2019. Influence of bromine and iodine chemistry on annual, seasonal, diurnal, and background ozone: CMAQ simulations over the Northern Hemisphere. Atmospheric Environment, 213: 395-404.\n\nSarwar, G., Roselle, R., Mathur, R., Appel, W., Dennis, R. L., & Vogel, B. (2008). A Comparison of CMAQ HONO Predictions with Observations from the Northeast Oxidant and Particle Study, Atmospheric Environment, 42, 5760-5770.\n\nSchwartz, S.E. (1986). Mass transport considerations pertinent to aqueous-phase reactions of gases in liquid water clouds. In chemistry of multiphase atmospheric systems, NATO ASI Series, G6, 415-471.\n\nSimon, H., & Bhave, P.V. (2012). Simulating the degree of oxidation in atmospheric organic particles. Environ. Sci. Technol., 46(1), 331-339.\n\nSkamarock, W.C., Klemp, J.B., Dudhia, J., Gill, D.O., Liu, Z., Berner, J., Wang, W., Powers, J.G., Duda, M.G., Barker, D.M., & Huang, X.Y. (2019). A description of the advanced research WRF version 4. NCAR Technical Note, NCAR/TN–556+STR.\n\nSkipper, T. N., D’Ambro, E. L., Wiser, F. C., McNeill, V. F., Schwantes, R. H., Henderson, B. H., Piletic, I. R., Baublitz, C. B., Bash, J. O., Whitehill, A. R., Valin, L. C., Mouat, A. P., Kaiser, J., Wolfe, G. M., St. Clair, J. M., Hanisco, T. F., Fried, A., Place, B. K., and Pye, H. O. T. (2024). Role of chemical production and depositional losses on formaldehyde in the Community Regional Atmospheric Chemistry Multiphase Mechanism (CRACMM), EGUsphere [preprint], [doi:10.5194/egusphere-2024-1680](https://doi.org/10.5194/egusphere-2024-1680).\n\nSlinn, W.G.N. (1982). Predictions for particle deposition to vegetative canopies, Atmos. Environ., 16, 1785-1794.\n\nSmagorinsky, J. (1963). General circulation experiments with the primitive equations. Mon. Wea. Rev., 91/3, 99-164.\n\nTan, Y., Perri, M.J., Seitzinger, S.P., & Turpin, B.J. (2009). Effects of precursor concentration and acidic sulfate in aqueous glyoxal-OH radical oxidation and implications for secondary organic aerosol. Env. Sci. Technol., 43, 8105–8112.\n\nWarneck, P. (1999). The relative importance of various pathways for the oxidation of sulfur dioxide and nitrogen dioxide in sunlit continental fair weather clouds. Phys. Chem. Chem. Phys., 1, 5471-5483.\n\nWiser, F., Place, B. K., Sen, S., Pye, H. O. T., Yang, B., Westervelt, D. M., Henze, D. K., Fiore, A. M., and McNeill, V. F. (2023). AMORE-Isoprene v1.0: a new reduced mechanism for gas-phase isoprene oxidation, Geosci. Model Dev., 16, 1801-1821, [doi:https://doi.org/10.5194/gmd-16-1801-2023](https://doi.org/10.5194/gmd-16-1801-2023).\n\nXing, J., Mathur, R., Pleim, J., Hogrefe, C., Wang, J., Gan, C.M., Sarwar, G., Wong, D., & McKeen, S. (2016). Representing the effects of stratosphere-troposphere exchange on 3D O3 distributions in chemistry transport models using a potential vorticity based parameterization, Atmos. Chem. Phys., 16, 10865-10877, [doi:10.5194/acp-16-10865-2016](https://doi.org/10.5194/acp-16-10865-2016).\n\nYi, C. (2008). Momentum transfer within canopies. J. App. Meteor. Clim., 47, 262-275.\n\nZhao, J., Sarwar, G., Gantt, B., Foley, K., Kang, D., Fahey, K., Mathur, R., Henderson, B. H., Pye, H. O. T., Zhang, Y., Saiz-Lopez, A. 2021. Impact of dimethylsulfide chemistry on air quality over the Northern Hemisphere, Atmospheric Environment, 244: 117961, 1-10.\n\n\n\n[<< Previous Chapter](CMAQ_UG_ch05_running_a_simulation.md) - [Home](README.md) - [Next Chapter >>](CMAQ_UG_ch07_model_outputs.md)\n
\nCMAQv5.5 User's Guide
\n\n\n\n\n\n[link_6.1]: ../../PREP/mcip/\n[link_6.10.1]: ../../UTIL/create_ebi/\n[link_6.10.2]: ../../UTIL/jproc/\n[link_6.10.2_II]: ../../UTIL/inline_phot_preproc/\n\n \n\n[link_6.1]: https://github.com/USEPA/CMAQ/blob/main/PREP/mcip/\n[link_6.10.1]: https://github.com/USEPA/CMAQ/blob/main/UTIL/create_ebi/\n[link_6.10.2]: https://github.com/USEPA/CMAQ/blob/main/UTIL/jproc/\n[link_6.10.2_II]: https://github.com/USEPA/CMAQ/blob/main/UTIL/inline_phot_preproc/\n" }, { "path": "DOCS/Users_Guide/CMAQ_UG_ch07_model_outputs.md", "content": "\n\n\n[<< Previous Chapter](CMAQ_UG_ch06_model_configuration_options.md) - [Home](README.md) - [Next Chapter >>](CMAQ_UG_ch08_analysis_tools.md)\n\n\n\n# 7. Model Output Files\n\n## 7.1 Introduction\nIn this section, details on the routine CCTM output files are provided. All CMAQ programs produce model output files that adhere to the netCDF format. In addition to model data output, CMAQ can optionally produce ASCII log files that contain intermediate model execution information from the various CMAQ processes and captured with respect to processor number. If the log file option is not selected by the user and the simulation is run interactively, CMAQ will write all of the log information to the screen along with the standard error, which can be captured to a text file using basic UNIX syntax. Additional output files are created when using the Process Analysis (PA), Integrated Source Apportionment Method (ISAM) and Detailed Emissions Scaling, Isolation and Diagnostics Module (DESID) options. The files associated with these options are discussed in [Chapter 9](CMAQ_UG_ch09_process_analysis.md), [Chapter 11](CMAQ_UG_ch11_ISAM.md), and [Appendix B](Appendix/CMAQ_UG_appendixB_emissions_control.md), respectively.\n\n\n\n\n**Table 7-1. CMAQ Output files**\n\n|**File Name1**|**File Type**|**Time-Dependence2**|**Spatial Dimensions3** |\n|----------------------------|------|----|-----------------------------------|\n|**Standard**| | | |\n|[Output Log](#cmaq_output_log) |ASCII|n/a|n/a\n|[CCTM_CONC](#conc)|GRDDED3|Hourly Instantaneous|XYZ'\n|[CCTM_ACONC](#aconc) |GRDDED3|Hourly Averaged|XYZ'\n|[CCTM_ELMO](#ELMO) |GRDDED3|Hourly Instantaneous|XYZ'\n|[CCTM_AELMO](#aELMO) |GRDDED3|Hourly Averaged|XYZ'\n|[CCTM_DRYDEP](#drydep) |GRDDED3|Hourly Cumulative|XY\n|[CCTM_WETDEP1](#wetdep) |GRDDED3|Hourly Cumulative|XY\n|**Restart**| | | |\n|[CCTM_CGRID](#cgrid) |GRDDED3|Hourly Instantaneous|XYZ\n|[CCTM_MEDIA_CONC](#media)|GRDDED3|Hourly Instantaneous|XY\n|[CCTM_BSOILOUT](#soilout) |GRDDED3|n/a (see detailed file description below)|XY\n|[CCTM_MSOILOUT](#soilout) |GRDDED3|n/a (see detailed file description below)|XY\n|[CCTM_BDSNPOUT](#bdsnpout) |GRDDED3|n/a (see detailed file description below)|XY\n|**Diagnostic and Advanced**| | | |\n|[CCTM_B3GTS_S](#b3gts) |GRDDED3|Hourly Instantaneous| XY\n|[CCTM_BUDGET](#budget) |ASCII|Hourly Instantaneous| Domain-Wide\n|[CCTM_DEPV](#depv) |GRDDED3|Hourly Instantaneous|XY\n|[CCTM_DUSTEMIS](#dust) |GRDDED3|Hourly Instantaneous|XY\n|[CCTM_DESIDX](#desid) |GRDDED3|Hourly Instantaneous|XYZ\n|[CCTM_DEPVMOS](#depv_mos) |GRDDED3|Hourly Instantaneous|XYW\n|[CCTM_DDEP_MOS](#dry_dep_mos) |GRDDED3|Hourly Cumulative|XYW\n|[CCTM_LTNGHRLY](#ltngdiag1) |GRDDED3|Hourly Instantaneous|XYZ\n|[CCTM_LTNGCOL](#ltngdiag2) |GRDDED3|Hourly Instantaneous|XY\n|[CCTM_PHOTDIAG1](#ctm_rj1) |GRDDED3|Hourly Instantaneous|XY\n|[CCTM_PHOTDIAG2](#ctm_rj2) |GRDDED3|Hourly Instantaneous|XYZ'\n|[CCTM_PHOTDIAG3](#ctm_rj3) |GRDDED3|Hourly Instantaneous|XYZ'\n|[CCTM_SSEMIS](#ssemis) |GRDDED3|Hourly Instantaneous|XY\n|[CCTM_WETDEP2](#wetdep2) |GRDDED3|Hourly Cumulative|XY\n|[CCTM_VEXT](#vext) |GRDDED3|Hourly Instantaneous|WZ\n\n1By default, output files are named CCTM_XXX_${CTM_APPL}.nc where XXX is the file identifier and ${CTM_APPL} is a user defined string that identifies the model run. \n2While \"Hourly\" is indicated, users may define a different time step (e.g., 30 minutes) for model output by changing the TSTEP variable in the runscript. Hourly Instantaneous represents the model value at the exact model output time step. Hourly Averaged values represent the average model values for the 60 minutes beginning with the model output time step. Hourly Cumulative represent the cumulative (summed) model values for the 60 minutes ending at the model output time step. \n3X is the dimension along the x-axis, Y is the dimension along the y-axis, Z is the vertical dimension, Z' is the user pre-defined size of the vertical dimension controlled by the environment variables CONC_BLEV_ELEV, ACONC_BLEV_ELEV, AELMO_BLEV_ELEV, and NLAYS_PHOTDIAG (range from 1 to all layers) and W is a non-layer dimension, e.g. number of LU fractions, number of sites for vertical extraction. \n4A special ASCII output file, FLOOR_xxx with xxx being the processor number, contains information when a simulation results in negative concentrations. \n\n## 7.2 CCTM Output Files\n\nSome output files created by the CCTM are considered standard output as these contain hourly concentration and deposition values and information to document the run. Options for these files are controlled by their corresponding environment variable in the CCTM RunScript (e.g. run_cctm.csh).\n\n\n**CMAQ output log**\n\n[Return to Table 7-1](#cmaq_output_log_t)\n\nAll of the CMAQ processors generate standard output and standard error during execution. When you run the CMAQ executable interactively, diagnostic output information can be captured to a log file using a UNIX redirect command:\n\n```\nrun.cctm >& tee cctm.log\n```\n\n\nThe LOGFILE environment variable allows users to specify the name of a log file for capturing the standard output from the program. If this variable is not set, the standard output is written to the terminal and can be captured using the UNIX redirect command (“>”), as shown in the example above.\n\n\n\n**CCTM_CONC: CCTM hourly instantaneous concentration file**\n\n[Return to Table 7-1](#conc_t)\n\n\nThe 2-D or 3-D CCTM hourly concentration file (CONC) contains instantaneous gas-phase species mixing ratios (ppmV) and aerosol species concentrations (µg m-3) at the end of each model output time step. The number and type of species contained in the CONC files depends on the chemical mechanism and aerosol model configurations that are selected when the CCTM is compiled. The [Species NameLists files](CMAQ_UG_ch04_model_inputs.md#matrix_nml) within the mechanism directories list the modeled species, and contain a column that specifies which species are written to the CONC files (e.g. [AE_cb6r3_ae7_aq.nml][link_7_nml]). The GC_*mechname*.nml file lists the gas-phase species, the AE_*mechname*.nml file lists the aerosol species, and the NR_*mechname*.nml lists the nonreactive (inert) species. Species can be removed from the CONC file by editing the CONC column in the NameList file(s) to reduce the number of species that are written to, and thus the size of the CONC file. Users can also specify the output species list (including temperature, pressure & relative humidity) by modifying the environment variable CONC_SPCS in the RunScript which overrides the setting of the CONC column in the NameList file(s). By default, concentrations for all model layers are output to the CONC file. Users may specify the layers to output using the CONC_BLEV_ELEV environment variable in the RunScript where BLEV corresponds to the bottom layer number and ELEV corresponds to the top layer number.\n\n\n\n\n**CCTM_ACONC: hourly average concentration file**\n\n[Return to Table 7-1](#aconc_t)\n\n\nThe 2-D or 3-D CCTM integral average concentration file contains average model species concentrations for each model hour, as opposed to instantaneous concentrations at the end of each output time step. The species written to the ACONC file are set by the user in the CCTM RunScript using the environment variable AVG_CONC_SPCS. The model layers for which hourly average concentrations are calculated are also set in the CCTM RunScript using the environment variable ACONC_BLEV_ELEV, where BLEV corresponds to the bottom layer number and ELEV corresponds to the top layer number. An example setting for the ACONC_BLEV_ELEV variable is “1 6”, which defines layers 1 through 6 as the vertical extent for which hourly average concentrations are calculated and written to the ACONC file.\n \n\n\n**CCTM_ELMO: instantaneous hourly ELMO output file**\n\n[Return to Table 7-1](#ELMO_t)\n\n\nThis optional 2-D or 3-D CCTM output file contains instantaneous information at the end of the output time step for user-specified variables including concentrations that would appear on CONC and ACONC files as well as aggregate variables like total mass of PM2.5 and PM10. \nDiagnostic parameters that were found on the PMDIAG file in previous CMAQ versions are also available for output on the ELMO file. \nThease include particle geometric mean diameters, geometric standard deviations, bulk densities, 2nd moments and 3rd moments for the lognormal modes. \nIt also includes the fraction of each mode that contributes to PM1, PM2.5, and PM10 and the AMS transmission factor for each mode. \nMany diagnostics relating to heterogenous chemistry are provided including the N2O5 reaction probability, the ClNO2 reaction yield, and the IEPOX uptake coefficient. \nUnits for all variables are specified in the output file. \n\nThe namelist input file CMAQ_Control_Misc.nml allows users to omit this file (set instant = .FALSE. under &elmo_activate), to set the top and bottom layers to be output (Inst_Layer_Top and Inst_Layer_Bot under &elmo_inst) and which variables to output (Inst_Vars_Nml under &elmo_inst).\nSee [Appendix F (ELMO Output):](Appendix/CMAQ_UG_appendixF_elmo_output.md) for more details.\n\n\n\n**CCTM_AELMO: average hourly ELMO output file**\n\n[Return to Table 7-1](#aELMO_t)\n\n\nThis optional 2-D or 3-D CCTM output file contains average information integrated from the previous output time step for user-specified variables including concentrations that would appear on CONC and ACONC files as well as aggregate variables like total mass of PM2.5 and PM10. \nDiagnostic parameters that were found on the PMDIAG file in previous CMAQ versions are also available for output on the ELMO file. \nThease include particle geometric mean diameters, geometric standard deviations, bulk densities, 2nd moments and 3rd moments for the lognormal modes. \nIt also includes the fraction of each mode that contributes to PM1, PM2.5, and PM10 and the AMS transmission factor for each mode. \nMany diagnostics relating to heterogenous chemistry are provided including the N2O5 reaction probability, the ClNO2 reaction yield, and the IEPOX uptake coefficient. \nUnits for all variables are specified in the output file. \n\nThe namelist input file CMAQ_Control_Misc.nml allows users to omit this file (set instant = .FALSE. under &elmo_activate), to set the top and bottom layers to be output (Inst_Layer_Top and Inst_Layer_Bot under &elmo_inst) and which variables to output (Inst_Vars_Nml under &elmo_inst).\nSee [Appendix F (ELMO Output):](Appendix/CMAQ_UG_appendixF_elmo_output.md) for more details. \n \n\n\n**CCTM_DRYDEP: hourly cumulative dry deposition file**\n\n[Return to Table 7-1](#drydep_t)\n\n\nThe 2-D CCTM dry deposition file contains cumulative hourly dry deposition fluxes (kg hectare-1) for selected model species. CCTM calculates dry deposition for all of the species listed in the dry deposition column of the [Species NameLists files](CMAQ_UG_ch04_model_inputs.md#matrix_nml) within the mechanism directories. The GC_*mechname*.nml file lists the gas-phase species, the AE_*mechname*.nml file lists the aerosol species, and the NR_*mechname*.nml lists the nonreactive (inert) species. Species can be removed from the dry deposition file by editing the DDEP column in the NameList file(s).\n\n##### NH3 flux components in CCTM_DRYDEP\nCMAQ v5.3 and later contains two build-time options for calculating dry deposition/surface exchange: M3DRY and STAGE. (See [Section 6.8 ](CMAQ_UG_ch06_model_configuration_options.md#68-dry-depositionair-surface-exchange) for further information). Both M3DRY and STAGE support modeling ammonia bidirectional surface flux. The definition of the NH3 flux components in the CCTM_DRYDEP file will depend on whether or not bidirectional NH3 flux option has been enabled (a run-time option controlled by setting CTM_ABFLUX to Y or N). When the model is run without the bidirectional NH3 flux option enabled (CTM_ABFLUX set to N), the variable NH3 in the CCTM_DRYDEP file represents the unidirectional ammonia dry deposition flux in both STAGE and M3DRY.\n\nWhen the model is run with CTM_ABFLUX set to Y, the CCTM_DRYDEP file will contain additional NH3 flux components. The variable names and definitions are defined in Table 7-2. Note that these variables definitions may not agree with the definitions used in CMAQ versions prior to version 5.3.2. \n\n\n**Table 7-2. NH3 Flux components in CCTM_DRYDEP Output files when ammonia bidirectional surface flux is enabled**\n\n|**Variable Name**|**Variable Description**|\n|:----:|:----------------------------:|\n|NH3|Downward Deposition Flux (always positive) |\t\n|NH3_Emis|Upward Emissions Flux (always positive)\t | \n|NH3_Flux|Net Flux (positive if downward and negative if upward) | \n\n\n\n\n**CCTM_WETDEP1: hourly cumulative wet deposition file**\n\n[Return to Table 7-1](#wetdep_t)\n\n\nThe 2-D CCTM wet deposition file contains cumulative hourly wet deposition fluxes (kg hectare-1) for selected model species. CCTM calculates wet deposition for all of the species listed in the wet deposition column of the [Species NameLists files](CMAQ_UG_ch04_model_inputs.md#matrix_nml) within the mechanism directories. The GC_*mechname*.nml file lists the gas-phase species, the AE_*mechname*.nml file lists the aerosol species, and the NR_*mechname*.nml lists the nonreactive (inert) species. Species can be removed from the wet deposition file by editing the WDEP column in the NameList file(s).\n\n## 7.3 Restart Files\n\nThere are several files created by the CCTM that are used to enable a restart of the run for any specific day. The files contain values for parameters at the end of the day which are used to initialize the values for the start of calculations for the next day.\n\n\n\n**CCTM_CGRID: gridded concentration restart file**\n\n[Return to Table 7-1](#cgrid_t)\n\n\nThe 3-D CCTM ending concentration file contains gas-phase species mixing ratios (ppmV) and aerosol species concentrations (µg m-3) at the end of each simulation period. The number and types of species contained in the output CGRID files depend on the chemical mechanism and aerosol model configurations that are selected when CCTM is compiled. This file can be used to initialize CCTM from a simulation period that the model completed. For example, if the CCTM is configuring to produce daily output files, a CGRID file will be written out at the end of each simulation day. These concentrations then become the initial conditions for the next simulation period.\n\n\n\n**CCTM_MEDIA_CONC: Bidirectional modeling media concentration file**\n\n[Return to Table 7-1](#media_conc_t)\n\n\nThis 2-D CCTM file contains the soil NH4+ and pH concentrations and/or the soil, vegetation and water Hg concentrations. This file is only created when the CTM_ABFLUX environment variable or the CTM_HGBIDI variable in the RunScript is set to Y (Default is N) for either the M3Dry or STAGE dry deposition option. For STAGE, it is used to initialize the next day of the model simulation for either the CTM_ABFLUX == Y or CTM_HGBIDI == Y case. For M3Dry, it is only used to initialize the next day of the model simulation for the CTM_HGBDIDI == Y case while the the soil NH4+ and pH concentrations written to this file for the CTM_ABFLUX == Y case are purely diagnostic. As described in [Chapter 6](CMAQ_UG_ch06_model_configuration_options.md#6.8.1_Dry_Depm3dry), M3Dry relies exclusively on input files generated by EPIC to derive the soil compensation concentration for the bidirectional NH3+ flux calculation. \n\n\n\n**CCTM_BSOILOUT and CCTM_MSOILOUT**\n\n[Return to Table 7-1](#soilout_t)\n\n\n*BEIS*\n \nThe 2-D \"soilout\" file contains hourly total rainfall information for subsequent use by the CCTM in-line biogenics module. It is written out at the end of each simulation day and is only created if the CTM_BIOGEMIS_BE environment variable in the RunScript is set to Y (Default is N). The file name is defined in the runscript by setting the environmental variable BEIS_SOILOUT. With the exception of the first day of the simulation when the environment variable NEW_START is set to TRUE, the previous day's rainfall information contained in the file is used in the calculation of soil NO emissions by the CCTM in-line biogenics module. This is accomplished by setting the BEIS_SOILINP environment variable in the RunScript for a given day to the CCTM_BSOILOUT file created at the end of the previous day's simulation. Note that even though this file contains 24 hourly gridded rainfall fields, it has a time-independent file structure and stores these 24 values as 24 separate time-independent variables (RAINFALL01, ... RAINFALL24). However, while the structure of the file is time-independent, each day's CCTM_BSOILOUT file is unique due to the daily variations in meteorology. Therefore, care must be taken to ensure that the BEIS_SOILINP file specified for a given day is indeed the CCTM_BSOILOUT file for the previous day rather than that for a different day. \n\n *MEGAN*\n \nAs with BEIS, the file set by the environmental variable MEGAN_SOILOUT contains rainfall information that is needed for the calculation of soil NO emissions when CTM_BIOGEMIS_MG is set to Y (Default is N). When enabling in-line MEGAN this file will also contains LAI, temperature, and radiation information that is used to calculate biogenic emissions. The input file from the previous day is identified by the environmental variable MEGAN_SOILINP in the run script.\n \n**CCTM_BDSNPOUT**\n\n[Return to Table 7-1](#bdsnpout_t)\n\n \nThis file is required when setting both CTM_BIOGEMIS_MG to Y and BDSNP_MEGAN to Y, since the BDSNP soil NO model requires information about the previous day's meteorology and nitrogen deposition reservoir. The output file is created at the end of the simulation day and its name is defined by setting the environmental variable BDSNPOUT. The input file for the previous day is defined by setting the environmental variable BDSNPINP. \n\n## 7.4 Diagnostic and Advanced CMAQ Output Files\n\nAlong with the standard output files detailed in the previous section, CCTM can be configured to output several auxiliary files for diagnostic model purposes. Each option is controlled by its corresponding environment variable in the CCTM RunScript (e.g. run_cctm.csh). For logical values, TRUE/T is equivalent to Y and FALSE/F is equivalent to N.\n\nNote that I/O APIv3.2 supports up to MXFILE3=64 open files, each with up to MXVARS3=2048. Turning on all of the diagnostic and advanced CMAQ output files can exceed this upper limit of open files, leading to a model crash. To avoid this issue, users may use I/O API version 3.2 \"large\" that increases MXFILE3 to 512 and MXVARS3 to 16384. This version is available as a zip file from the following address:\n\nhttps://www.cmascenter.org/ioapi/download/ioapi-3.2-large.tar.gz\n\nInstallation instructions for I/O API v5.3-large are provided in README.txt in the .tar.gz file. \n\n\n\n**FLOOR: concentration-reset diagnostics file**\n\n[Return to Table 7-1](#floor_t)\n\n\nThis optional ASCII file contains specific gridcells/timesteps in which species with negative concentrations are reset to zero. The location and name of the file is set by the FLOOR_FILE environment variable.\n\n\n\n**CCTM_BUDGET: Budget Tool Output File**\n\n[Return to Table 7-1](#budget_t)\n\n\nThis optional ascii file outputs domain-wide changes for user-specified species every output time step in units of kg for gases and aerosols, number for particle number, and m2 for particle surface area. See [Chapter 9 (Process Analysis and Budget):](CMAQ_UG_ch09_process_analysis.md) for a description of the Budget Tool methods, interface, and potential applications.\n\nThe destination folder of this output file must be specified with the $OUTDIR environment variable in the RunScript. If this variable is not specified, the destination will be the root directory. \n\n\n\n**CCTM_B3GTS_S: biogenic emissions diagnostic file**\n\n[Return to Table 7-1](#b3gts_t)\n\n\nThis optional 2-D CCTM hourly output file contains total hourly biogenic emissions in mass units calculated in-line by the CCTM when the CTM_BIOGEMIS environment variable is set to Y. This file is only created if the B3GTS_DIAG environment variable in the RunScript is set to Y (Default is Y) and only if BEIS is the selected biogenic emisisons model. \n\n\n\n**CCTM_DEPV: inline deposition diagnostics file**\n\n[Return to Table 7-1](#depv_t)\n\n\nThis optional 2-D CCTM file contains the deposition velocity (m/s) for each chemical species calculated for the final time step for the hour. CCTM calculates the deposition velocity for all of the species listed in the deposition velocity column of the [Species NameLists files](CMAQ_UG_ch04_model_inputs.md#matrix_nml) files within the mechanism directories. The GC_*mechname*.nml file lists the gas-phase species, the AE_*mechname*.nml file lists the aerosol species, and the NR_*mechname*.nml lists the nonreactive (inert) species. Species can be removed from the deposition velocity file by editing the DDEP column in the NameList file(s). This file is only created if the CTM_DEPV_FILE environment variable in the RunScript is set to Y (Default is N). \n\n\n\n\n**CCTM_DUSTEMIS: dust emissions diagnostic file**\n\n[Return to Table 7-1](#dust_t)\n\n\nThis optional 2-D CCTM hourly output file contains dust emissions in mass units calculated in-line by the CCTM when the CTM_WB_DUST environment variable is set to Y. This file is only created if the CTM_DUSTEM_DIAG environment variable in the RunScript is set to Y (Default is N).\n \n\n\n**CCTM_DESIDX: DESID diagnostic output file**\n\n[Return to Table 7-1](#desid_t)\n\n\nThis optional 2-D or 3-D CCTM hourly output file contains emission rates equal to those calculated by DESID after all user-specified rules have been implemented and input emissions data applied. \nUse the CMAQ_Control_DESID.nml file to specify the number and contents of these emissions diagnostic files. \nThey may contain information about one stream or many, and the variable list for each is customizable. \nSee [Appendix B (Emissions Control):](Appendix/CMAQ_UG_appendixB_emissions_control.md) for more information. \n\n\n\n**CCTM_DEPVMOS: land use specific deposition velocity file**\n\n[Return to Table 7-1](#depv_mos_t)\n\n\nThis optional 3-D CCTM file contains the deposition velocity (m s-1) for the final time step of the hour for each land use type within a grid cell. This output file is structured with the land use category being the 3rd dimension (i.e. equivalent to the layers in a concentration file). So, for model runs using the NLCD land use category system, the files will have 40 \"layers\". This file is only created if the DepMod environment variable in the BuildScript is set to stage (rather than m3dry) and if the CTM_MOSAIC environment variable in the RunScript is set to Y (Default is N).\n\n\n\n\n**CCTM_DDMOS: land use specific deposition flux file**\n\n[Return to Table 7-1](#dry_dep_mos_t)\n\n\nThis optional 3-D CCTM file contains the total deposition (kg hectare-1) for the hour for each land use type within each grid cell. This output file is structured with the land use category being the 3rd dimension (i.e. equivalent to the layers in a concentration file). So, for model runs using the NLCD land use category system, the files will have 40 \"layers\". This file is only created if the ModDepv environment variable in the BuildScript is set to stage (rather than m3dry) and if the CTM_MOSAIC environment variable in the RunScript is set to Y (Default is N).\n\n\n\n**CCTM_LTNGHRLY: hourly lightning emissions file**\n\n[Return to Table 7-1](#ltngdiag1_t)\n\n\nThis optional 3-D CCTM file contains hourly lightning NO emissions (mol/s) calculated in-line by the CCTM when setting the CTM_LTNG_NO environment variable to Y. This file is only created if the CTM_LTNGDIAG_1 environment variable in the RunScript is set to Y (Default is N).\n\n\n\n**CCTM_LTNGCOL: hourly column total lightning emissions**\n\n[Return to Table 7-1](#ltngdiag2_t)\n\n\nThis optional 2-D CCTM file contains hourly column-total lightning NO emissions (mol/s) calculated in-line by the CCTM when setting the CTM_LTNG_NO environment variable to Y. This file is only created if the CTM_LTNGDIAG_2 environment variable in the RunScript is set to Y (Default is N).\n\n\n\n**CCTM_PHOTDIAG1: In-line photolysis inputs and outputs - summary file**\n\n[Return to Table 7-1](#ctm_rj1_t)\n\n\nThis optional 2-D CCTM file contains general summary information for the photolysis calculation including the surface albedo, \nselect photolysis rates and flux values. This file is only created if the CTM_PHOTDIAG environment variable in the RunScript is set to Y (Default is N).\n\n\n\n**CCTM_PHOTDIAG2_2: In-line photolysis output – gridded photolysis rates**\n\n[Return to Table 7-1](#ctm_rj2_t)\n\n\nThis optional 3-D CCTM file contains the photolysis rates calculated in-line by the CCTM. The number of layers is set by the NLAYS_PHOTDIAG environment variable (Default is all layers). This file is only created if the CTM_PHOTDIAG environment variable in the RunScript is set to T (Default is N).\n\n\n\n**CCTM_PHOTDIAG3: In-line photolysis inputs and outputs – detailed**\n\n[Return to Table 7-1](#ctm_rj3_t)\n\n\nThis optional 3-D CCTM file contains detailed inputs and results from the photolysis rate calculation done in-line by the CCTM. The number of layers is set by the NLAYS_PHOTDIAG environment variable (Default is all layers). The number of wavelengths included in the file is set by the NWAVE_PHOTDIAG environment variable (Default is all wavelengths). This file is only created if the CTM_PHOTDIAG environment variable in the RunScript is set to T (Default is N).\n\n\n\n**CCTM_SSEMIS: Sea salt emissions diagnostic file**\n\n[Return to Table 7-1](#ssemis_t)\n\n\nThis optional 2-D CCTM hourly output file contains calculated sea salt emissions (g/s). This file is only created if the CTM_SSEMDIAG environment variable in the RunScript is set to Y (Default is N).\n\n\n\n**CCTM_WETDEP2: CCTM cloud diagnostics file**\n\n[Return to Table 7-1](#wetdep2_t)\n\n\nIn CMAQ, wet deposition is calculated separately for resolved (grid-scale) clouds and for convective (subgrid) clouds. The WETDEP1 file contains the total wet deposition, i.e., the sum of both resolved-scale and subgrid-scale deposition. The WETDEP2 file contains only subgrid-scale deposition, plus some cloud diagnostic variables. The 2-D CCTM wet deposition file (WETDEP2) includes cumulative hourly wet deposition fluxes (kg hectare-1) for selected model species. CCTM calculates wet deposition for all of the species listed in the wet deposition column of the [Species NameLists files](CMAQ_UG_ch04_model_inputs.md#matrix_nml) files within the mechanism directories. The GC_*mechname*.nml file lists the gas-phase species, the AE_*mechname*.nml file lists the aerosol species, and the NR_*mechname*.nml lists the nonreactive (inert) species. Species can be removed from the wet deposition file by editing the WDEP column in the NameList file(s). This file is only created if the CLD_DIAG environment variable in the RunScript is set to Y (Default is N).\n\n\n\n**CCTM_VEXT: file of vertical profiles of concentration at selected sites**\n\n[Return to Table 7-1](#vext_t)\n\n\nThis optional 3-D CCTM file contains vertical profiles of the concentration of multiple chemical species for latitude / longitude coordinates specified in the VERTEXT_COORD_PATH file. The species written to this output file are identical to those written to the 3D CONC file which in turn are controlled either by the setting of CONC_SPCS in the RunScript or the last column in the GC, AE, NR, and TR namelist files. There is one row for each location specified. The coordinates for each location are echoed in the file metadata in the \"history\" field. This file is only created if the VERTEXT environment variable in the RunScript is set to Y (Default is N).\n\n\n\n[<< Previous Chapter](CMAQ_UG_ch06_model_configuration_options.md) - [Home](README.md) - [Next Chapter >>](CMAQ_UG_ch08_analysis_tools.md)
\nCMAQv5.5 User's Guide
\n\n\n\n\n\n[link_7_nml]: ../../CCTM/src/MECHS/cb6r3_ae7_aq/AE_cb6r3_ae7_aq.nml \n\n\n\n[link_7_nml]: https://github.com/USEPA/CMAQ/blob/main/CCTM/src/MECHS/cb6r3_ae7_aq/AE_cb6r3_ae7_aq.nml \n" }, { "path": "DOCS/Users_Guide/CMAQ_UG_ch08_analysis_tools.md", "content": "\r\n\r\n\r\n[<< Previous Chapter](CMAQ_UG_ch07_model_outputs.md) - [Home](README.md) - [Next Chapter >>](CMAQ_UG_ch09_process_analysis.md)\r\n\r\n\r\n\r\n# 8. Analysis Tools for CMAQ output\r\n\r\n## 8.1 Introduction\r\nMany software programs are freely available for pre- and post-processing, evaluating and visualizing CMAQ outputs. Examples of such freeware are provided in [Table 8-1](#Analysis_Software_Table). Several other commercial packages, including MATLAB and IDL, also support the analysis and visualization of CMAQ inputs and outputs. Most visualization and analysis software that support netCDF file formats, such as R and Python, will work with CMAQ outputs. \r\n\r\n\r\n\r\n\r\n**Table 8-1. Software Programs for Evaluating and Visualizing CMAQ Data**\r\n\r\n|**Software**|**Description**| **Source** |\r\n|------------|-------------------------------|---------------------------------------------|\r\n|***Post-processing***|||\r\n|CMAQ POST Tools|Programs released with CMAQ source code to prepare output data for model evaluation|[https://github.com/USEPA/CMAQ/blob/main/POST/README.md](https://github.com/USEPA/CMAQ/blob/main/POST/README.md)|\r\n|I/O API Tools|Postprocessing tools for manipulating data in the I/O API/netCDF format|[https://www.cmascenter.org/ioapi](https://www.cmascenter.org/ioapi)|\r\n|NCO|netCDF Operators: Postprocessing tools for manipulating data in the netCDF format|[http://nco.sourceforge.net](http://nco.sourceforge.net)\r\n|***Evaluation/Visualization***| | |\r\n|AMET|Atmospheric Model Evaluation Tool for analysis and evaluation of meteorological and air quality models|[https://www.epa.gov/cmaq/atmospheric-model-evaluation-tool](https://www.epa.gov/cmaq/atmospheric-model-evaluation-tool)|\r\n|VERDI|Visualization Environment for Rich Data Interpretation for graphical analysis of netCDF gridded data|[https://www.cmascenter.org/verdi](https://www.cmascenter.org/verdi)|\r\n|PseudoNetCDF|Reading, plotting, and sometimes writing capabilities for atmospheric science data formats including CMAQ files|[https://github.com/barronh/pseudonetcdf/wiki](https://github.com/barronh/pseudonetcdf/wiki)|\r\n|RSIG|2D and 3D visualization of satellite and modeled data|[https://www.epa.gov/hesc/remote-sensing-information-gateway](https://www.epa.gov/hesc/remote-sensing-information-gateway)|\r\n|NCL|NCAR Command Language for scientific data processing and visualization|[http://www.ncl.ucar.edu](http://www.ncl.ucar.edu)|\r\n|IDV|Integrated Data Viewer for 3-D graphical analysis of netCDF gridded data|[http://www.unidata.ucar.edu/software/idv/](http://www.unidata.ucar.edu/software/idv/)|\r\n\r\nThis chapter briefly describes how to use some of the software tools supported by the EPA and CMAS to aggregate CMAQ output, pair aggregated CMAQ output in space and time to air quality observations, create various evaluation plots, and visualize model fields.\r\n\r\n## 8.2 Aggregating and Transforming Model Species Concentrations\r\n\r\nThe *combine* Fortran program, released as part of the CMAQ POST tools, can combine variables from CMAQ output, emissions, or meteorology files into a new I/O API file. Model species can be aggregated or transformed into variables of interest, e.g., to change units from ppmV to ppbV or match observed quantities from a specific monitoring network. Model output files can be concatenated to create files for longer time periods, e.g., files with hourly data for individual days can be combined into a single file for an entire month. More information on the *combine* utility and its use can be found in this [README file.][Link_8.2]\r\n\r\nThe *combine* utility relies on a chemical mechanism-specific \"Species Definition\" files that prescribe how CMAQ output variables should be mapped and/or combined to become comparable to different measured gas, particle, and deposition species. When you download the CMAQ code, the Species Definition files corresponding to default model output variables are automatically included under the subdirectory \"CCTM/src/MECHS\". Within each of the listed mechanism folders, you will find files \"SpecDef_MECH_NAME.txt\" (for gas and aerosol species) and \"SpecDef_dep_MECH_NAME.txt\" (for deposition species) that contain a long list of species definitions and corresponding documentation. For example, the calculation of NOX in ppbV is given as\r\n```\r\nNOX ,ppbV ,1000.0*(NO[1] + NO2[1])\r\n```\r\nwhere NO and NO2 are pulled from an hourly instantaneous [CCTM_CONC](CMAQ_UG_ch07_model_outputs.md#conc) or hourly average [CCTM_ACONC](CMAQ_UG_ch07_model_outputs.md#aconc) model output file in units of ppmV. \r\n\r\nNote that some species aggregation is already happening within the CMAQ model. The CMAQ aerosol module explicitly represents a number of individual aerosol species that need to be combined for comparisons to measured total PM2.5 mass. The Explicit and Lumped Model Output (ELMO) capability introduced in CMAQv5.4 prescribes the calculation of aggregated aerosol species (e.g., PM1, PM2.5, and PM10), as well as diagnostic values (e.g., aerosol surface area and number) and CMAQ calculates them online. The species are then written to the [CCTM_ELMO](CMAQ_UG_ch07_model_outputs.md#ELMO) or [CCTM_AELMO](CMAQ_UG_ch07_model_outputs.md#AELMO) output files. \r\n\r\nThe \"SpecDef_MECH_NAME.txt\" file relies on output from the CCTM_CONC (or CCTM_ACONC) and the CCTM_ELMO (or CCTM_AELMO) files in addition to meteorological variables for completing all of its calculations. Generally, gas-phase species coming from the direct CCTM_CONC output and aerosol species from CCTM_ELMO. For reference and transparency, each mechanism folder also includes a file named \"SpecDef_Conc_MECH_NAME.txt\", which processes both gas- and aerosol species from the CCTM_CONC file (CCTM_ELMO variables is still needed for applying hard bounds on particle size, like 2.5 um). These \"SpecDef_Conc_MECH_NAME.txt\" files are provided for all Carbon Bond 6-based mechanisms and all CRACMM-based mechanisms. Either of these two approaches should yield highly similar or exactly equal results. \r\n\r\nFinally, the SpecDef_Dep_MECH_NAME.txt files are provided to processes deposition variable output from CMAQ. \r\n\r\nSee [Appendix F](Appendix/CMAQ_UG_appendixF_elmo_output.md) for more information about the calculation of ELMO output variables and how this relates to use of the *combine* tool.\r\n\r\n## 8.3 Model-Observation Pairing for Model Evaluation \r\n Once model output has been processed using *combine*, the *sitecmp* and *sitecmp_dailyo3* utilities can be used to match air pollutant measurements with the appropriate model predicted variables. This pairing of model and observed variables is specified in the run scripts for *sitecmp* and *sitecmp_dailyo3*. In *sitecmp_dailyo3* this step is controlled by the definition of environment variables OBS_SPECIES and OZONE. See the [README.md][link_8.3] and the sample run script in the [*sitecmp_dailyo3* scripts][link_8.3_II] folder for more information on setting these environment variables. The run script for the *sitecmp* utility can be customized for many different types of chemical and meteorological quantities as described in the [README.md][link_8.3_III] for sitecmp. Sample run scripts for the AQS, CSN, IMPROVE, NADP and SEARCH networks based on the 2016 CMAQ test case are provided in the [*sitecmp* scripts][link_8.3_IV] folder. In addition, the [README.md][link_8.3_IV] file within the *sitecmp* scripts folder provides the configuration options for monitoring networks. Note that there are multiple formats for CSN and SEARCH observed data files depending on the year. The README.txt file is broken into different sections to reflect the change in species names in the observation files for these two networks. (For example, elemental carbon measurements from the CSN network are labeled as “ec_niosh” in 2009 and earlier, “ec_tor” in 2010, and “88380_val” starting in 2011.)\r\n\r\n### 8.3.1 Spatial matching in sitecmp and sitecmp_dailyo3\r\nIn *sitecmp*, model values are extracted for the grid cell containing the monitor location. In *sitecmp_dailyo3* the model value of the grid cell containing the observation is provided, as well as the maximum model value of the 9 grid cells centered on the monitor location. These variables in the output file contain the character string \"9cell\" in the variable name.\r\n\r\n### 8.3.2 Temporal matching in sitecmp and sitecmp_dailyo3\r\n* **AQS_HOURLY, CASTNET_HOURLY, SEARCH_HOURLY, NAPS_HOURLY, AERONET**: Air quality observations are assumed to be hourly averages time stamped at the beginning of the hour with local standard time (LST). The *sitecmp* utility will use the time stamp from the observations to determine the matching model time step, accounting for the time zone of the monitor. Therefore, best practice would be for the model time step to also represent hourly average time stamped at the beginning of the hour. This can be accomplished by running the *combine* utility on the CMAQ [CCTM_ACONC](CMAQ_UG_ch07_model_outputs.md#ACONC) or [CCTM_AELMO](CMAQ_UG_ch07_model_outputs.md#AELMO) output files which follow this convention (rather than the instantaneous model ouput files [CCTM_CONC](CMAQ_UG_ch07_model_outputs.md#CONC) and [CCTM_ELMO](CMAQ_UG_ch07_model_outputs.md#AELMO)). These networks also include meteorological measurements. Since meteorological observations are near instantaneous measurements (e.g. 1- or 5-minute averages), using meteorological fields from MCIP or wrfout in *combine* results in the correct matching since these fields are also instantaneous. One exception is the calculation of modeled relative humidity (RH). This variable is not available from MCIP or wrfout files but is stored in the CMAQ CCTM_AELMO output file which represents hourly average values. This creates a slight inconsistency between observed and modeled values for this variable in the sitecmp output files. Note that modeled and observed precipitation for a given hour represents the hourly total rather than the hourly average. \r\n* **AQS_DAILY_O3, CASTNET_DAILY_O3, NAPS_DAILY_O3**: *sitecmp_dailyo3* computes various daily metrics from observed and modeled hourly ozone values. The temporal matching of the hourly observed and modeled values used in these computations follows the same approach described above for AQS_HOURLY. Therefore, it is best practice to use output from CMAQ CCTM_ACONC files for modeled ozone predictions (rather than CCTM_CONC). Details on the computation of the various daily metrics is provided in the *sitecmp_dailyo3* documentation.\r\n* **AQS_DAILY, CSN, IMPROVE, SEARCH_DAILY**: Air quality observations are daily averages time stamped with the date in local standard time. The *sitecmp* utility will use the date from the observations to compute daily averages using 24 hourly modeled values, accounting for the time zone of the monitor. Therefore, it is best practice to use output from CMAQ CCTM_ACONC and CCTM_AELMO files for modeled air quality predictions which represent hourly average concentrations (rather than CCTM_CONC and CCTM_ELMO).\r\n* **CASTNET**: Air quality observations are weekly averages time stamped with beginning and end date and time of the weekly interval in local standard time. The *sitecmp* utility will use the start and end date and time from the observations to compute weekly averages using hourly modeled values, accounting for the time zone of the monitor. Therefore, it is best practice to use output from CMAQ CMAQ CCTM_ACONC and CCTM_AELMO files for modeled air quality predictions which represent hourly average concentrations (rather than CCTM_CONC and CCTM_ELMO).\r\n* **NADP**: Air quality observations are weekly sums time stamped with beginning and end date of the weekly interval in local standard time. The *sitecmp* utility will use the start and end date from the observations to compute weekly sums using hourly modeled values, accounting for the time zone of the monitor. Observations are matched to output from CMAQ [CCTM_WETDEP1](CMAQ_UG_ch07_model_outputs.md#wetdep) files which represent hourly totals.\r\n* **TOAR**: Air quality observations are daily average values of O3, MDA8 O3, O3 daytime average and O3 nighttime average. The *sitecmp* utility must be given daily average values computed from hourly values using the *hr2day* utility.\r\n\r\n## 8.4 The Atmospheric Model Evaluation Tool (AMET)\r\n\r\nThe Atmospheric Model Evaluation Tool (AMET) was developed to aid in the evaluation of the meteorological and air quality models within the CMAQ modeling system (i.e. WRF, MPAS, CMAQ-CTM). AMET organizes, provides consistency and speeds-up the evaluation process for operational meteorological and air quality model simulations. The AMET software is written primarily in R, with support from several fortran programs and cshell scripts. The tool also requires the presence of a MySQL database for analysis of meteorological data and full functional analysis of air quality (CMAQ) data (analysis of CMAQ output can be done without a database present). Although it was developed specifically to aid in the evaluation of the CMAQ modeling system, the AMET software can be adapted to work with other modeling systems. \r\n\r\nThere are separate modules in AMET for evaluating meteorological and air quality model output. This separation is necessary because both the observed and predicted meteorological and air quality data are quite different, utilizing different file formats for both the observed and model data. In addition, the observed meteorological and air quality data are often obtained from networks that use different sampling protocols, which can make pairing meteorological and air quality data together difficult. One advantage of separate meteorological and air quality modules in AMET is that the modules can be installed individually, allowing a user to reduce installation time and complexity if only meteorological or air quality analysis is required.\r\n\r\nA more detailed description of AMET can be found at https://www.epa.gov/cmaq/atmospheric-model-evaluation-tool, including a flow diagram of the AMET system and example output plots from the tool. The AMET github repository resides at https://github.com/USEPA/AMET. The repository includes the latest version of AMET, along with a complete description of the tool, a User's Guide, an Installation Guide, and a Quick Start Guide. \r\n\r\n#### Observation data for model evaluation\r\nAMET requires observation data to be in a specific format. AMET-ready observation data files going back to 2000 are available on the CMAS Data Warehouse Google Drive: \r\n[North America Air Quaility Observation Files](https://drive.google.com/drive/folders/1QUlUXnHXvXz9qwePi5APzzHkiH5GWACw?usp=drive_link)\r\n\r\nThe network data available include: AERONET, AMON, AQS, CASTNET, CSN, FLUXNET, IMPROVE, NADP, NAPS, NOAA ESRL, SEARCH, and TOAR.\r\n\r\n## 8.5 Visualization Environment for Rich Data Interpretation (VERDI)\r\n\r\nThe Visualization Environment for Rich Data Interpretation (VERDI) is a visual analysis tool for evaluating and plotting multivariate gridded results from meteorological and air quality models. VERDI is written in Java, so it can be run on a variety of computer operating systems; VERDI packages are currently released for Linux, Windows, and Mac. In addition to supporting the CMAQ modeling system, VERDI also currently supports analysis and visualization of model results from the regional [Weather Research and Forecasting (WRF) model](https://ncar.ucar.edu/what-we-offer/models/weather-research-and-forecasting-model-wrf), the global [Model for Prediction Across Scales (MPAS)](https://ncar.ucar.edu/what-we-offer/models/model-prediction-across-scales-mpas), the [Meteorology-Chemistry Interface Processor (MCIP)][link_8.5], and the [Comprehensive Air Quality Model with Extensions (CAMx)](http://www.camx.com). In addition, VERDI can read and overlay observational data at monitoring site locations to visually compare model results to observations, both spatially and temporally.\r\n\r\nVERDI’s interactive graphical user interface (GUI) allows for quick examination of model results, while the command line scripting capability in VERDI can be used for more routine analysis and plot production. Supported input data formats include I/O API, netCDF (both WRF-style and MPAS-style), and UAM-IV from models and ASCII text, and netCDF for observational data sets. Supported map projections include Lambert conformal conic, Mercator, Universal Transverse Mercator, and polar stereographic. \r\n\r\nOnce data are loaded into VERDI, individual selected variables can be plotted or utilized as inputs to mathematical formulas which can then be plotted. Available plot types include spatial tile, areal interpolation based on shapefiles, vertical cross section, time series, time series bar, scatter, and 3-D contour plots. Plots can then be enhanced with overlays of observations from monitoring sites, wind vectors, grid lines/cell boundaries, and additional GIS layers, such as boundaries for states, counties, HUCs (hydrologic unit codes), rivers, roads, and user-defined shapefiles. Plotting of variables can be limited to specified spatial and/or temporal ranges, with minimum/maximum values for the variable for the displayed area and time automatically shown at the bottom of each plot frame. \r\n\r\nPlots can be saved as raster images (BMP, JPEG, PNG, TIFF) of a chosen pixel size, vector images (EPS), or animated GIF “movies.” Areal ESRI-compatible shapefiles and ASCII text or comma-separated-values can also be exported. Interactive analysis is aided with the ability to quickly zoom into areas of interest and to probe data values within a grid cell. To facilitate plot reproducibility, VERDI can save the session as a project file and the customization of each plot (e.g., data range, color palette, font characteristics, titles, and labels) as a plot configuration file. Plus, quick statistical analysis of the displayed data is easily accomplished by using VERDI’s built-in algorithms for minimum/maximum, mean, geometric mean, median, first and third quartiles, variance, standard deviation, coefficient of variance, range, interquartile range, sum, timesteps of minimum and maximum, hours of non-compliance, maximum 8-h mean, count, fourth max, and custom percentiles.\r\n\r\nThe CMAS Center currently hosts VERDI at https://www.cmascenter.org/verdi, providing a brief description with links to download VERDI and its documentation. The main code repository for VERDI resides at https://github.com/CEMPD/VERDI where users can download the latest release, peruse the documentation, and note the latest known issues and bugs.\r\n\r\n\r\n\r\n\r\n[<< Previous Chapter](CMAQ_UG_ch07_model_outputs.md) - [Home](README.md) - [Next Chapter >>](CMAQ_UG_ch09_process_analysis.md)
\r\nCMAQv5.5 User's Guide
\r\n\r\n\r\n\r\n \r\n\r\n[link_8.2]: ../../POST/combine/\r\n[link_8.3]: ../../POST/sitecmp_dailyo3/\r\n[link_8.3_II]: ../../POST/sitecmp_dailyo3/scripts/\r\n[link_8.3_III]: ../../POST/sitecmp/\r\n[link_8.3_IV]: ../../POST/sitecmp/scripts/\r\n[link_8.5]: ../../PREP/mcip/\r\n\r\n\r\n\r\n[link_8.2]: https://github.com/USEPA/CMAQ/blob/main/POST/combine/\r\n[link_8.3]: https://github.com/USEPA/CMAQ/blob/main/POST/sitecmp_dailyo3/\r\n[link_8.3_II]: https://github.com/USEPA/CMAQ/blob/main/POST/sitecmp_dailyo3/scripts/\r\n[link_8.3_III]: https://github.com/USEPA/CMAQ/blob/main/POST/sitecmp/\r\n[link_8.3_IV]: https://github.com/USEPA/CMAQ/blob/main/POST/sitecmp/scripts/\r\n[link_8.5]: https://github.com/USEPA/CMAQ/blob/main/PREP/mcip/\r\n" }, { "path": "DOCS/Users_Guide/CMAQ_UG_ch09_process_analysis.md", "content": "\r\n\r\n\r\n[<< Previous Chapter](CMAQ_UG_ch08_analysis_tools.md) - [Home](README.md) - [Next Chapter >>](CMAQ_UG_ch10_HDDM-3D.md)\r\n\r\n\r\n\r\n# 9. Process Analysis and Budget\r\n\r\n## 9.1 Introduction\r\nMost applications of CMAQ, as well as other 3-D grid models, output concentration fields of chemical species of interest at selected time steps that reflect the cumulative effect of all processes (emissions, chemical reaction, transport, etc.) that act on the chemical species over the time period. Several features in CMAQ allow the user to better understand which processes impacted model predicted concentrations. These options provide information about specific chemical and physical processes to provide insight about contribution and uncertainty. Process Analysis (PA) is a technique for separating out and quantifying the contributions of individual physical and chemical processes to the changes in the predicted concentrations of a pollutant. PA does *not* have to be activated in a CMAQ simulation but including PA in a simulation during runtime provides additional information that can be useful in interpreting CMAQ results. PA has two components: Integrated Process Rate (IPR) analysis and Integrated Reaction Rate (IRR) analysis. IPR analysis quantifies the net change in species through physical processes of advection, diffusion, emissions, dry deposition, aerosol processes, and cloud processes. It also provides an estimate of the overall impact of chemical processes. IRR analysis allows the output of individual chemical reaction rates or user-specified combinations of chemical reactions and species cycling. The Budget Tool (section 9.7) is an optional ascii output that summarizes the domain-wide process changes gathered by the IPR analysis. \r\n\r\nAs a tool for identifying the relative importance of individual chemical and physical processes, PA has many applications, including:\r\n\r\n- Quantifying major contributors to the concentration of a chemical species at a grid cell. PA can be used to split out the contributions of multiple, complex processes that control species concentrations. PA is useful for species that have both production and decay processes occurring in the same time step, including cases where the final concentration may show little change, but individual decay and production rates may be large.\r\n\r\n- Characterizing the chemical state of a particular grid cell. PA with IRR can be used to calculate quantities such as the production of odd oxygen, the production of new radicals, the ozone production efficiency and the termination of radicals. (For example, see Tonnesen and Dennis, 2000.)\r\n\r\n- Aiding model development. PA can help predict and evaluate the effect of modifications made to a model or process module.\r\n\r\n- Identifying compensating or unresolved errors in the model or input data which may not be reflected in the total change in concentration. For example, if an error in the emissions input data causes the model to calculate negative concentration values in an intermediate step, this could be masked in the final predicted concentrations if compensated for by larger positive values resulting from the chemistry calculations.\r\n\r\nPA variables are computed by saving the differential operators associated with each process or reaction, integrated over the model synchronization time step for the same variables that are used in solving the continuity equations within the model. For processes that are solved simultaneously in the same operator, PA uses mass balance to compute the contribution of each process.\r\n\r\nA user activates PA during CMAQ runtime and includes a PA input file to specify whether IPR, IRR or both analyses are performed, and defining what variables are required for each analysis. The IRR parameters are highly customizable and can be easily modified but must be checked carefully before running the model to ensure that they correspond to the mechanism being used. A control file is distributed with CMAQ that corresponds to each chemical mechanism supported by that version of the model. This file can be used as distributed or modified to meet program specific objectives. The derivation of PA and format of input files specific to CMAQ incorporation is detailed in Gipson et al., (1999), and a further description of the science behind PA is provided in Tonnesen (1994) and Jeffries and Tonnesen (1994).\r\n\r\n## 9.2 Use of Process Analysis\r\n\r\n**Step 1: Activate Process Analysis and specify control files**\r\n\r\n- setenv CTM_PROCAN Y:N\r\n\r\nSet this variable to Y to indicate that you want process analysis to be activated. The default is N. If this is set to Y, then you must also specify the following two files:\r\n\r\n - setenv PACM_INFILE [filename]\r\n - setenv PACM_REPORT [filename]\r\n\r\nPACM_INFILE is the input file that specifies the desired output information (read by pa_read.F). Gipson et al., (1999), details the types of equations and operators that can be used, with a brief summary here in Table 1. A standard input file is distributed with CMAQ for each chemical mechanism supported by that version of the model. PACM_REPORT is the output file that displays how CMAQ translates the variables listed in PACM_INFILE, and lists the reactions (including reactants, products and yields) that will be used in calculating the IPR and IRR values. Users should check this file on the first iteration of a new PA simulation to ensure that CMAQ is interpreting the variables as the user intended.\r\n\r\nThe user can also specify an optional subdomain for the IPR/IRR output. If these variables are not specified, the default domain is the entire CMAQ domain, however, the user may want to limit the portion of the domain where output is written because the files can get large. This is done using the variables:\r\n\r\n- setenv PA_BCOL_ECOL \"[start] [end]\"\r\n- setenv PA_BROW_EROW \"[start] [end]\"\r\n- setenv PA_BLEV_ELEV \"[start] [end]\"\r\n\r\nwhere integers [start] and [end] are the starting and ending grid columns, rows, or vertical levels. These optional variables are used to specify the modeling grid domain column range, row range, and layer range for the process analysis calculations. Set to the two digits representing the start and end columns, rows and layer numbers bounding the process analysis domain. The user must be careful that the columns, rows, and levels are not outside of the current CMAQ domain.\r\n\r\n**Step 2: Ensure that output files are being written and that the output variables have been correctly specified**\r\n\r\nA PACM_REPORT file, with the name specified in Step 1, is output for every day of simulation, along with daily IRR or IPR files, depending on whether IRR or IPR was specified. If there is a formatting error in the PACM_INPUT file, CMAQ will not run and the CMAQ log files must be checked to determine where the error occurred. The PACM_REPORT file will list the reactions that are used to interpret each of the reactions/families/cycles/operators specified by the user in the PACM_INPUT file. For complex operations (such as those including families or cycles), the user must ensure that the output appropriately reflects the information provided in the process analysis input control file.\r\n\r\nThe output files are specified in the CMAQ runscript by:\r\n\r\n- setenv CTM_IPR_1 [filename] (....similarly for CTM_IPR_2 and CTM_IPR_3)\r\n\r\n- setenv CTM_IRR_1 [filename] (....similarly for CTM_IRR_2 and CTM_IRR_3)\r\n\r\nIPR files are only created if IPR is turned on in the PACM_INFILE (IPR_OUTPUT specified), and IRR files are only created if IRR is specified (IRRTYPE = PARTIAL or FULL). The number of output files created (whether 1,2 or 3) depends on the number of variables specified; for example, only one will be created for the sample input file delivered as part of the CMAQ release.\r\n\r\n**Step 3: Post process output files**\r\n\r\nThe output files are in the same units as the concentration files and can be post-processed using the same utilities used to post-process the CMAQ concentration files. In particular the following utilities may be helpful:\r\n\r\n- combine (to combine multiple days in one file, to match density or layer height with IPR or IRR variables)\r\n- m3tproc (to sum up throughput over multiple days)\r\n- vertot (to sum up throughput over several layers, such as the PBL)\r\n- verdi (to view spatial heterogeneity in process throughput)\r\n\r\n## 9.3 Description of the PACM_INFILE\r\n\r\nThe PA input file (PACM_INFILE) is the user-tailored file that controls the parameters that are calculated and output at each time step. Depending on the specificity of the output, the file will need to be tailored to the chemical mechanism used in the simulation, because species names and reaction numbers vary among different mechanisms. For example, components of oxidized nitrogen, such as organic nitrates, are represented by species NTR1 + NTR2 + INTR in CB6, but by RNO3 in SAPRC07. In addition, if IRR outputs are specified by label, the user must ensure that the labels are appropriate for the mechanism being used.\r\n\r\nThe user can define families of similar pollutants, specify cycles, and reaction sums that can be used in subsequent IPR and IRR equations, which can simplify the specification of quantities. DEFINE FAMILY is useful when the user wants to follow the sum of several different species, for example:\r\n\r\n- DEFINE FAMILY NOX = NO + NO2\r\n\r\nThis will allow the user to specify operations of both NO and NO2 by using the user-specified family name NOX. Cycles are important because many species have reactions in which they decay and reform quickly. In some cases, the production and loss terms may both be large and obscure the information that is desired.\r\n\r\n- DEFINE FAMILY PANcyc = PAN\r\n\r\nA user-specified name, PANcyc, can be used in place of PAN in further operations, to remove the effect of rapid reactions that recycle PAN rapidly. Cycles (as well as other quantities) can also be defined with the RXNSUM statement:\r\n\r\n- DEFINE RXNSUM CLNO3cyc = - \r\n\r\nThis will store the net throughput of the reaction labeled CL28 minus reaction labeled CL30 (i.e. in CMAQ-CB6, the net production of species CLNO3) in a user-specified variable named CLNO3cyc.\r\n\r\n\r\n\r\n**Table 9-1. Parameters used in PACM_INFILE**\r\n\r\n|**First string**| **Second string** |**Third string**|**Remainder of line**|\r\n|:-------------|:----------------------------|:-----|:-----------------------------|\r\n|DEFINE FAMILY|[descriptor]|=|list of chemicals separated by + |\r\n|DEFINE CYCLE|[descriptor]|=|chemical name|\r\n|DEFINE RXNSUM|[descriptor]|=|list of reactions separated by +|\r\n|IPR_OUTPUT|[chemical/family name]| = |physical process names and/or CHEM |\r\n|IRR_OUTPUT| FULL:PARTIAL:NONE |\r\n|IRR_OUTPUT|[descriptor]| = |reaction label, combination of species reactions, etc.|\r\n\r\n\r\n## 9.4 Parameters for IPR\r\n\r\nEach line for IPR output begins with IPR_OUTPUT, followed by the chemical species or the species family for which output is desired and the processes to be output. If the processes are omitted, then the default is all processes. The available processes are listed in Table 9-2. In the sample file, for example:\r\n\r\nIPR_OUTPUT O3 = CHEM+DDEP+CLDS+AERO+TRNM;\r\n\r\nspecifies that the output includes the change in species O3 over the time step for the net sum of\r\nall chemistry processes, the net dry deposition, the net change in concentration due to clouds, aerosol\r\nprocesses, and total transport. If the species is a family name instead of a species name, the outputs\r\nwill be calculated for the sum of each species in the family.\r\n\r\n\r\n\r\n**Table 9-2. Allowable parameters for process outputs**\r\n\r\n|**LPROC**|**process**| **Description**|\r\n|:-------|:-----|:---------|\r\n|1|XADV| X-direction horizontal advection|\r\n|2|YADV| Y-direction horizontal advection|\r\n|3|ZADV| vertical advection|\r\n|4|HDIF| horizontal diffusion|\r\n|5|VDIF| vertical diffusion|\r\n|6|EMIS| emissions contribution to concentration|\r\n|7|DDEP| dry deposition of species|\r\n|8|CLDS| change due to cloud processes; includes aqueous reaction and removal by clouds and rain|\r\n|9|PVO3| potential vorticity contribution to O3 mixing between the upper troposphere and stratosphere|\r\n|10|CHEM| net sum of all chemical processes for species over output step|\r\n|11|COND| change in aerosol species due to condensation|\r\n|12|COAG| change in aerosol species due to coagulation|\r\n|13|NPF| change in aerosol species due to new particle formation|\r\n|14|GROW| change in aerosol species due to aerosol growth|\r\n|1+2|HADV| total horizontal advection|\r\n|1+2+3|MADV| Horizontal and vertical advection|\r\n|4+5|TDIF| Total diffusion of species|\r\n|1+2+3+4+5| TRNM|Total mass-conserving transport of species|\r\n|11+12+13+14|AERO| change due to aerosol processes|\r\n\r\n## 9.5 Parameters for IRR\r\n\r\nThe specification for parameters in IRR output begins with IRR_OUTPUT followed by a user-defined name for the quantity and an equation specifying how it is to be calculated. The operators used in constructing these equations are explained in more detail in Gipson et al. (1999), and a brief summary of the allowable operators is included in Table 9-3. The equation could include a reaction label or an operator for a chemical species or family. For example:\r\n\r\nIRR_OUTPUT NewClrad = 2.0* + + + \r\n\r\nwould sum the throughput of reactions labeled CL2, CL8, and CL25 and 2 times the throughput of reaction labeled CL1. The sum for each time step and each grid would be in the variable NewCLrad defined by the user.\r\n\r\n\r\n\r\n**Table 9-3. Allowable operators for Integrated Reaction Rate outputs**\r\n\r\n|**Operator** | **Description**|\r\n|:------|:----|\r\n|PROD[x] {FROM [y] {AND/OR [z]}} | sum of throughput from all reactions where species (or family) x is a product. Optional qualifiers limit to reactions were species y or z are reactants|\r\n|NETP[x] {FROM [y] {AND/OR [z]}} | similar to PROD but only uses reactions where net production is greater than zero|\r\n|LOSS[x] {AND/OR[y]}| All loss of species/family x; could be limited to only reactions where both x and y or x or y are lost|\r\n|NETL[x] {AND/OR [y]} | similar to LOSS but only uses reactions where net loss of x {and/or y} is greater than zero|\r\n|NET[x]| the net of the production and loss for all reactions in which x is a product or reactant|\r\n|cyclename[POSONLY:NEGONLY]| calculates the net impact of a cycle defined earlier. Using optional qualifiers will output values only if the net is positive or negative.\r\n\r\n## 9.6 Example IRR applications\r\n\r\nIRR can be endlessly customized to examine many different processes and combinations of processes. Below are two examples of how IRR can be used.\r\n\r\n**Example 1: Examine fate of VOC reactions**. In this example, we have defined a family \"aVOC\" to be the sum of all (mostly) anthropogenic VOCs used in CMAQ-CB6 (Luecken et al., 2019), and then quantified the loss of the family through reaction with the oxidants OH, O3 and NO3:\r\n\r\n- DEFINE FAMILY aVOC = FORM +ALD2 +ALDX +PAR +ETHA +PRPA +MEOH +ETOH +ETH +OLE\r\n +IOLE +ACET +TOL +XYLMN +GLYD +GLY +MGLY +KET +CRON +NTR1 +OPEN +CAT1 +CRES\r\n +XOPN +NAPH + TO2 + BZO2 + XLO2 + ROR + XPRP + ROOH;\r\n- IRR_OUTPUT aVOCwithOH = LOSS[aVOC] AND [OH];\r\n- IRR_OUTPUT aVOCwithO3 = LOSS[aVOC] AND [O3];\r\n- IRR_OUTPUT aVOCwithNO3 = LOSS[aVOC] AND [NO3];\r\n\r\nWe have summed the throughputs over 2 weeks (July 1-14, 2011), within the first level of the model, and compared these three output pathways at four locations throughout the U.S. Figure 9-1 shows the sum through each of these processes at 6 different grid areas, including 4 urban areas and 2 rural areas. This figure also includes the corresponding fate for the largely biogenic VOCs, although note that some VOCs, such as formaldehyde and ethanol can be both anthropogenic and biogenic.\r\n\r\n\r\n\r\n![Figure 9-1: Relative contribution of oxidation pathways for VOCs](./images/Figure10-1.png)\r\n\r\n**Figure 9-1. Relative contribution of oxidation pathways for VOCs using Process Analysis**\r\n\r\n**Example 2: Quantify the major contributors to the production of HNO3**. In this example, we develop output variables to represent the total production of HNO3 in CMAQ-CB6 and the individual reactions which contribute to this total production:\r\n\r\n- IRR_OUTPUT HNO3prod = PROD[HNO3];\r\n- IRR_OUTPUT HNO3fromOHNO2 = ;\r\n- IRR_OUTPUT HNO3fromhetNTR = ;\r\n- IRR_OUTPUT HNO3fromN2O5 = + +\r\n +;\r\n- IRR_OUTPUT HNO3fromNO3 = PROD[HNO3] FROM [NO3];\r\n- IRR_OUTPUT HNO3frCLNO3= ;\r\n\r\nIn this case, we have summed up all throughput over the first 15 levels of the model (approximating the PBL) and over the same 14-day time period. Figure 9-2 shows the relative contribution of processes to the total HNO3 formation at three grids. In this case, at the two more urban grids, the reaction of OH+NO2 dominates the formation of HNO3 in summer, while at the rural grid cell (Missouri), the heterogeneous hydrolysis of alkyl nitrates is predominant.\r\n\r\n\r\n\r\n![Figure 9-2: Relative contribution of HNO3 formation pathways at three grid locations](./images/Figure10-2.png)\r\n\r\n**Figure 9-2. Relative contribution of HNO3 formation pathways at three grid locations**\r\n\r\n## 9.7 Budget Tool\r\n\r\nThe existing Process Analysis module outputs process rates for variables or families of variables on a gridded domain. \r\nThe Budget Tool outputs as a text file (CCTM_BUDGET_xxx.txt), the domain-wide process rates and total abundance change for every variable or family requested by the user in the CMAQ_Control_Misc.nml file. \r\nOutput is produced for every output time step (generally hourly). Units for both gases and particles are in kilograms per output time step.\r\n\r\nThe output produced by the Budget Tool is quite powerful when applying or developing CMAQ. It can be used to better understand the large-scale source and loss pathways of individual trace species or families of species. For example, the fraction of a species that is transported out of the domain versus lost by dry or wet deposition is immediately accessible as a function of output time step. Additionally, one can use this output to diagnose potential errors if, for example, the Budget Tool reports emissions or chemical production of a species and the developer knows it should not be possible. Figure 9-3 illustrates process rates for O3 for an annual simulation of 2016. The top bar of each pair dileneates the rates by season of the year, while the bottom bar shows the contribution split between day and night.\r\n\r\nTo activate (or deactivate) the Budget Tool calculation and output, set the variable Budget_Diag to .TRUE. (or .FALSE.) in the &Budget_Options section of the CMAQ_Control_Misc.nml namelist. Here the user may also choose the variables they would like to output data for. The default is 'ALL' CMAQ species, including transported, non-transported, reactive, and non-reactive species. \r\nAlternatively or additionally, a list of species may be given, including names of chemical families, defined by the user in the &Chemical_FamVars section of the CMAQ_Control_Misc.nml file. \r\nLastly, if an aerosol species name is provided (e.g. 'ASO4', 'AEC') without the suffix denoting an aerosol mode, the Budget Tool will provide the sum of the process changes across all modes.\r\n\r\n![Figure 9-3: Contribution of model processes to O3 production and loss during a CMAQ simulation of the U.S. for 2016](./images/Figure9-3.png)\r\n\r\n**Figure 9-3. Contribution of model processes to O3 production and loss during a CMAQ simulation of the U.S. for 2016**\r\n\r\n\r\n## 9.8 References\r\n\r\nGipson, G.L. (1999). Chapter 16: Process analysis. In science algorithms of the EPA models-3 Community Multiscale Air Quality (CMAQ) Modeling System. EPA/600/R-99/030.\r\n\r\nJeffries, H. E., & Tonnesen, S. (1994). A comparison of two photochemical reaction mechanisms using mass balance and process analysis. Atmos. Env., 28(18), 2991-3003.\r\n\r\nLuecken, D.J., Yarwood, G., & Hutzell, W.H. (2019). Multipollutant modeling of ozone, reactive nitrogen and HAPs across the continental US with CMAQ-CB6. Atmospheric Environment, 201, 62-72.\r\n\r\nTonnesen, S., & Jeffries, H.E. (1994). Inhibition of odd oxygen production in the carbon bond four and generic reaction set mechanisms. Atmospheric Environment, 28(7), 1339-1349.\r\n\r\n\r\n\r\n\r\n[<< Previous Chapter](CMAQ_UG_ch08_analysis_tools.md) - [Home](README.md) - [Next Chapter >>](CMAQ_UG_ch10_HDDM-3D.md)
\r\nCMAQv5.5 User's Guide
\r\n\r\n\r\n" }, { "path": "DOCS/Users_Guide/CMAQ_UG_ch10_HDDM-3D.md", "content": "\r\n\r\n\r\n[<< Previous Chapter](CMAQ_UG_ch09_process_analysis.md) - [Home](README.md) - [Next Chapter >>](CMAQ_UG_ch11_ISAM.md)\r\n\r\n\r\n\r\n# 10. Decoupled Direct Method in Three Dimensions (CMAQ-DDM-3D)\r\n\r\n## 10.1 Introduction\r\n\r\nThe Decoupled Direct Method in Three Dimensions (DDM-3D) provides CMAQ concentration and deposition sensitivity information for user specified model parameters.\r\n\r\nIn air quality modeling, sensitivities measure the response of a model output to a change in one or several predefined model parameters. In policy applications, the parameters of interest are usually emissions and the output of interest is pollutant concentrations. We may be interested in emissions from a particular geographical region, like an urban area, a group of states, or a country, and/or emissions from a particular source, such as wildfires, electricity generating units (EGUs), or light duty diesel trucks.\r\n\r\nEmissions sensitivities can be calculated by simply running the air quality model twice – once with standard emissions inputs, and once with the emissions of interest adjusted in some way. The difference in outputs between the two runs in relation to the size of the adjustment then becomes the model sensitivity. While this process is fairly easy to implement and interpret, it quickly becomes computationally complex as the number of desired sensitivities increases. For example, calculating sensitivity to EGU emissions from 10 southeastern states in the U.S. would require 11 separate air quality model simulations.\r\n\r\nAlternatively, model sensitivities can be calculated with CMAQ-DDM-3D. This is done by altering the existing model algorithms to allow for sensitivity propagation through every science module in CMAQ. While this process does require more computational resources than standard CMAQ, it scales favorably with the number of desired parameters.\r\n\r\nBesides emissions, sensitivities to other model parameters can also be calculated. Currently, CMAQ-DDM-3D can be used for sensitivity to emission rates, boundary conditions, initial conditions, reaction rates, potential vorticity, or any combination of these parameters. Second order sensitivity calculations, or sensitivity of sensitivity, sometimes known as higher-order DDM-3D (HDDM-3D) are also available. Note: second order sensitivity output for particulate matter species are still in development. \r\n\r\n## 10.2 CMAQ-DDM-3D Releases and Build Instructions\r\n\r\nStarting from CMAQv5.4, DDM-3D has been fully integrated into the base model and is accessed through a flag in the standard build script.\r\n\r\nTo use CMAQ-DDM-3D, follow the normal build process for CMAQ described in [Chapter 5](CMAQ_UG_ch05_running_a_simulation.md), but make sure to uncomment the following line in bldit_cctm.csh: \r\n\r\n```\r\n set DDM3D_CCTM #> uncomment to compile CCTM with DDM-3D activated\r\n```\r\n\r\n**Note that DDM-3D is not compatible with the STAGE deposition model in CMAQv5.5.** \r\nSimulations with DDM-3D should use ``` set DepMod = m3dry``` in bldit_cctm.csh.\r\n\r\n**A note about I/O API installation for DDM applications**\r\n\r\nI/O APIv3.2 supports up to MXFILE3=64 open files, each with up to MXVARS3=2048. DDM-3D applications configured to calculate sensitivity to a large number of parameters may exceed this upper limit of model variables, leading to a model crash. To avoid this issue, users may use I/O API version 3.2 \"large\" that increases MXFILE3 to 512 and MXVARS3 to 16384. Instructions to build this version are found in [Chapter 3](CMAQ_UG_ch03_preparing_compute_environment.md#333-io-api-library).\r\n\r\n# 10.3 CMAQ-DDM-3D Run Instructions\r\n\r\nThe included model run scripts each have a section that enables CMAQ-DDM-3D options. The DDM-3D configuration options shown in the table below. Additinally, a separate DDM-3D control input file is also required. Details on this file are included below.\r\n\r\nThe CMAQ-DDM-3D benchmark simulation uses the same input data as the base model. \r\n\r\n# 10.3.1 DDM run script settings\r\n\r\n|Option | Settings | Description|\r\n|:-------------:|:-------------:|-----|\r\n|CTM_DDM3D|Y/N|Sets up requisite script settings for DDM-3D; requires that the CCTM was compiled for DDM simulations|\r\n|CTM_NPMAX|#|Number of sensitivity parameters defined in SEN_INPUT|\r\n|SEN_INPUT||Path and name of the sensitivity control file|\r\n|DDM3D_HIGH|Y/N|Allow higher order sensitivity parameters in SEN_INPUT|\r\n|DDM3D_RST|Y/N|Begin sensitivities from a restart file|\r\n|S_ICpath||Path of the restart file; Analogous to ICpath\r\n|S_ICfile||Name of the restart file; Analogous to ICfile\r\n\r\n\r\n# 10.3.2 CMAQ-DDM-3D Control File (SEN_INPUT)\r\n\r\nUsers must define the DDM-3D sensitivity parameters in the DDM-3D Control File `SEN_INPUT` linked in the runscript. \r\n\r\nThe DDM-3D Control File accommodates various types of sensitivity configuration parameters for CMAQ-DDM-3D simulations, including the tagging of multiple emission sources and/or species. As proper formatting of this file is required, users are referred to the sample control file provided with the release for formatting examples. Sample definitions of sensitivity parameters are shown below.\r\n\r\nExample 1\r\nCalculate the sensitivity to total emissions of SO2. The keyphrase 'TOTA' indicates all model emissions:\r\n\r\n ES2 \r\n EMIS\r\n TOTA\r\n SPECIES\r\n SO2\r\n\r\n END\r\n \r\nExample 2\r\nCalculate the sensitivity to NOx emissions from point source EGU and gridded emissions at the same time: (gridded sources, point sources, and/or inline sources are all allowed). \r\n\r\nThese environment variables, with the full path to the files, must be defined in the run script:\r\n\r\n ENX \r\n EMIS\r\n GRIDDEDEMIS, PT_EGU\r\n SPECIES\r\n NO, NO2\r\n\r\n END\r\nThe variables 'GRIDDEDEMIS' and 'PT_EGU' are comma-delimited in the control file and are both defined in the runscript. The list of species is also comma-delimited in the control file.\r\n\r\nExample 3\r\nIt is also possible to calculate sensitivity to inline emissions streams. The following example calculates sensitivity to inline BEIS emissions of isprene:\r\n\r\n EBI \r\n EMIS\r\n BEIS\r\n SPECIES\r\n ISOP\r\n\r\n END\r\n\r\nExample 4 \r\nSeveral sensitivities can be calculated in one simulation. In the example below, there are four sensitivities defined in this control file. In the first (ES2), DDM-3D sensitivities would be calculated to emissions of SO2 from one gridded emissions file and two point source emissions files together. In the second (ENX), DDM-3D sensitivities would be calculated to total emissions of NOx (NO+NO2). In the third (2NX), higher order DDM-3D sensitivities would be calculated to NOx emissions. In the fourth (RT1), DDM-3D sensitivities would be calculated to the rate of reaction 1 in the photochemical mechanism.\r\n\r\n ES2 \r\n EMIS\r\n EGRIDFILE1, PT3DFILE1, PT3DFILE2\r\n SPECIES\r\n SO2\r\n\r\n ENX\r\n EMIS\r\n TOTA\r\n SPECIES\r\n NO, NO2\r\n\r\n 2NX\r\n HIGH\r\n ENX\r\n ENX\r\n\r\n RT1\r\n RATE\r\n REACTION\r\n 1\r\n\r\n END\r\n \r\nExample 5\r\nIt is possible to calculate the sensitivity to ozone incursions at the top of the simulated volume if the base model is compiled with potential vorticity module enabled.\r\n\r\n PO3\r\n PVO3\r\n SPECIES\r\n O3 \r\n \r\nCMAQ-DDM-3D is flexible in the number of files that the code can handle and also allows for inline emissions streams as well. Depending on the application and model settings, the following inline streams may be available for sensitivity calculation:\r\n\r\n|Stream Keyword | Description|\r\n|:-------------:|-----|\r\n|BIOG|BEIS biogenic emissions|\r\n|MIOG|MEGAN biogenic emissions|\r\n|MGEM|Marine Gas Emissions|\r\n|LTNG|Lightning NO Emissions|\r\n|ASEA|Sea Spray Aerosol Emissions|\r\n|DUST|Wind-Blown Dust Emissions|\r\n\r\n\r\n## 10.3.2.1 DDM-3D Control File Format\r\n\r\nFor each sensitivity:\r\n1. (mandatory) The first line is the name of the sensitivity parameter; any 3-character name of the user's choosing, no leading spaces\r\n2. (mandatory) The next line specifies the type of sensitivity (One leading space followed by 4 capitalized characters)\r\n * EMIS: Emissions \r\n * ICON: Initial Conditions\r\n * BCON: Boundary Conditions\r\n * RATE: Reaction rate\r\n * HIGH: Higher-order sensitivity.\r\n * PVO3: Potential vorticity\r\n3. (mandatory) For EMIS, the next line specifies the emissions streams to be used for this parameter. The comma-delimited list must have two leading spaces. The stream names must be defined in the run script. Alternatively, the key word 'TOTA' will use all model emissions for this parameter. \r\n4. (mandatory)\r\n * For EMIS, ICON, BCON, or PVO3 sensitivity: The term ' SPECIES' (all-cap, one leading space) must appear next.\r\n * For RATE sensitivity: The term ' REACTION' (all-cap, one leading space) must appear next.\r\n * For HIGH sensitivity: The next 2 lines must each be one leading space followed by the name of the sensitivity to which we're taking higher order sensitivity. That name must have already been defined as the name of a sensitivity parameter. No further information should be defined for a higher-order sensitivity parameter.\r\n5. (mandatory)\r\n * EMIS, ICON, BCON, or PVO3 sensitivity: Specify one or more species. The comma-delimited species list must have two leading spaces and then exactly match a species from model species list. The keyword 'ALL' here allows for all model species instead. Note that only the species \"O3\" will result in a signal for PVO3 sensitivity.\r\n * For RATE sensitivity: Specify one or more reactions. Names must have two leading spaces and then exactly match the _label_ from mech.def (also in RXDT.EXT).\r\n6. (optional) \r\n * The term ' REGION' (all-cap, one leading space). If this term is used, the next line must be a comma-delimited list of region variables.\r\n \r\n * NOTE1: This list must be consistent with the max # of sens parameters (NPMAX) set in the runscript.\r\n * NOTE2: For better understanding of how this file is read, or to modify/add features, look at sinput.F in the code.\r\n\r\n\r\n## 10.4 DDM-3D Input/Output Files\r\n\r\nWith the exception of the control file, CMAQ-DDM-3D requires the same input files as a normal CMAQ run. Additional input files may be required depending on the choice of calculated sensitivity parameters. The following table includes a list of all possible files specific to sensitivity calculations.\r\n\r\nOutput Files Specific to DDM-3D Simulations\r\n\r\n|File|Type|Contains|Base model analog|\r\n|----|----|--------|-----------------|\r\n| ASENS|Output| Averaged hourly sensitivities. List defined by 'AVG_CONC_SPCS' variable in the run script.|ACONC|\r\n| SENGRID| Output| Last hour's sensitivity fields to be used as initial conditions for the following time period| CGRID|\r\n| SENWDEP| Output| Sensitivities of wet deposited species| WETDEP1|\r\n| SENDDEP| Output| Sensitivities of dry deposited species| DRYDEP|\r\n\r\n\r\n## 11.5 DDM-3D Benchmark Test Case\r\nSee the [CMAQ-DDM-3D Benchmark Tutorial](Tutorials/CMAQ_UG_tutorial_DDM3D.md) for step-by-step instructions for running the 2 day benchmark case. The input files for the DDM-3D benchmark case are the same as the benchmark inputs for the base model. Output DDM files associated with the sample DDM control file `sensinput.2018_12NE3.dat` provided in this release package are included in the benchmark outputs for the base model. \r\n\r\n# 10.6 Summary\r\n\r\nCMAQ-DDM-3D has proven to be a very effective tool for air quality studies. This implementation in CMAQ has been done with the intent to provide flexibility and computational efficiency, and also maintain the base CMAQ code structure. CMAQ-DDM-3D has been found to accurately simulate sensitivity of ozone and PM species to initial conditions, boundary conditions, and emissions of precursor species. However, CMAQ-DDM-3D remains a work in progress with known shortcomings and its accuracy has not been tested for all conceivable applications. Any errors should be reported to the provided contacts.\r\n\r\n\r\n## 10.6 References\r\n\r\nCohan, D.S., & Napelenok, S.L. (2011). Air Quality Response Modeling for Decision Support. Atmosphere, 2(3), 407-425. [doi: 10.3390/atmos2030407](https://www.mdpi.com/2073-4433/2/3/407)\r\n\r\nNapelenok, S.L., Cohan, D.S., Odman, M.T., & Tonse, S. (2008). Extension and evaluation of sensitivity analysis capabilities in a photochemical model. Environmental Modelling & Software, 23(8), 994-999. [doi: 10.1016/j.envsoft.2007.11.004](https://www.sciencedirect.com/science/article/pii/S1364815207002186)\r\n\r\nNapelenok, S.L., Cohan, D.S., Hu, Y.T., & Russell, A.G. (2006). Decoupled direct 3D sensitivity analysis for particulate matter (DDM-3D/PM). Atmospheric Environment, 40(32), 6112-6121. [doi: 10.1016/j.atmosenv.2006.05.039](https://www.sciencedirect.com/science/article/pii/S1352231006005012)\r\n\r\nCohan, D., Y. Hu, A. Hakami, A. Russell, 2005: Nonlinear response of ozone to emissions: source apportionment and sensitivity analysis. Environ. Sci. Technol., 39, 6739-6748.\r\n\r\nDunker, A., G. Yarwood, J. Ortmann, and G. Wilson, 2002: The decoupled direct method for sensitivity analysis in a three-dimensional air quality model 'Implementation, accuracy, and efficiency. Environ. Sci. Technol., 36, 2965-2976.\r\n\r\nDunker, A. 1984: The decoupled direct method for calculating sensitivity coefficients in chemical kinetics. J. Chem. Phys., 81, 2385-2393.\r\n\r\n**Contact**\r\n\r\n[Sergey L. Napelenok](mailto:napelenok.sergey@epa.gov), Computational Exposure Division, U.S. EPA\r\n\r\n\r\n\r\n[<< Previous Chapter](CMAQ_UG_ch09_process_analysis.md) - [Home](README.md) - [Next Chapter >>](CMAQ_UG_ch11_ISAM.md)
\r\nCMAQv5.5 User's Guide
\r\n\r\n\r\n" }, { "path": "DOCS/Users_Guide/CMAQ_UG_ch11_ISAM.md", "content": "\r\n\r\n\r\n\r\n[<< Previous Chapter](CMAQ_UG_ch10_HDDM-3D.md) - [Home](README.md) - [Next Chapter >>](CMAQ_UG_ch12_sulfur_tracking.md)\r\n\r\n\r\n\r\n# 11. Integrated Source Apportionment Method (CMAQ-ISAM)\r\n## 11.1 Introduction\r\n\r\nThe Integrated Source Apportionment Method (ISAM) calculates source attribution information for user specified ozone and particulate matter precursors within the CMAQ model. CMAQ-ISAM has been substantially updated starting with the CMAQv5.3 release, and now differs significantly from previous releases. The major changes to the ISAM chemistry solver are detailed in the [ISAM Chemistry Supplement][link_11_pdf]. In addition, signifcant updates and multiple minor fixes were included in the subsequent releases including substantial updates to the gas-phase chemistry apportionment algorithms that improve both physical and numerical aspects of the method. Users of CMAQ-ISAM are strongly encouraged to update to the latest available release of the model.\r\n\r\nThe base CMAQ model provides users the concentration and deposition fields of many pollutant species. These species are usually combinations of different types of primary emissions and secondary formation that have been physically and chemically transformed in the model. However, sometimes it is desirable to know specific source attribution information for the model outputs. For example, how much of the ozone in an urban area was formed due to nitrogen oxides emitted from motor vehicles in a neighboring state?\r\n\r\nAnswering this type of question often requires running an air quality model twice, once with the standard emissions scenario and once with the source of interest completely removed. The difference between the two runs is then assumed to be attributed to the removed source. While this approach is reasonably straightforward to implement, it has some drawbacks. For example, removing a large source from the system in a highly nonlinear chemical mixture can lead to some errors. Also, calculating source attribution of many sources can be logistically and computationally prohibitive.\r\n\r\nAlternatively, running CMAQ with ISAM enabled allows the user the ability to calculate source attribution of a large number of sources directly by the model in one simulation.\r\n\r\nCMAQ-ISAM supports source apportionment for all modeled gas and aerosol species (depending on base model configuration). The selection of species for which source apportionment should be performed in a given simulation can be controlled through the following `TAG CLASSES`:\r\n\r\n```\r\nSULFATE - ASO4J, ASO4I, SO2, SULF, SULRXN \r\nNITRATE - ANO3J, ANO3I, HNO3, ANO3J, ANO3I, HNO3, NO, NO2, NO3, HONO, N2O5, PNA, PAN, PANX, NTR1, NTR2, INTR \r\nAMMONIUM - ANH4J, ANH4I, NH3 \r\nEC - AECJ, AECI \r\nOA_TOT - Organic aerosol species\r\nVOC - Various species depending on mechanism. Now includes CO. (see CCTM/src/isam/SA_DEFN.F for complete list) \r\nPM_IONS - ANAI, ANAJ, AMGJ, AKJ, ACAJ, AFEJ, AALJ, ASIJ, ATIJ, AMNJ, AOTHRI, AOTHRJ \r\nOZONE - all NITRATE species + all VOC species \r\nCHLORINE - ACLI, ACLJ, HCL\r\nNVPOA - Non-Volatile Primary Organic Aerosol (APOC, APNCOM)\r\nPM_TOT - all PM species\r\nHAP_GAS - Gaseous Hazardous Air Pollutants\r\nHAP_AERO - Aerosol Hazardous Air Pollutants\r\nHAP_TOT - HAP_GAS and HAP_AERO\r\nURBAN_TOXICS - Classic Urban Air Toxics \r\nPAH_TEQ - NonReactive PAH tracers\r\nBENAPYRENE - Gaseous and aerosol Benzo[a]Pyrene\r\nMERCURY - Gaseous and aeroosl Mercury species\r\nALL - All model species\r\n\r\n \r\n```\r\n\r\n## 11.2 Build Instructions\r\n\r\nStarting with CMAQv5.3 model release, ISAM is provided directly with the source code of the base model. To use ISAM, follow the normal build process for CMAQ described in [Chapter 5](CMAQ_UG_ch05_running_a_simulation.md), but make sure to uncomment the following line in bldit_cctm.csh: \r\n\r\n```\r\nset ISAM_CCTM\r\n```\r\n\r\n**A note about I/O API installation for ISAM applications**\r\n\r\nI/O APIv3.2 supports up to MXFILE3=256 open files, each with up to MXVARS3=2048. ISAM applications configured to calculate source attribution of a large number of sources may exceed this upper limit of model variables, leading to a model crash. To avoid this issue, users may use I/O API version 3.2 \"large\" that increases MXFILE3 to 512 and MXVARS3 to 16384. Instructions to build this version are found in [Chapter 3](CMAQ_UG_ch03_preparing_compute_environment.md#333-io-api-library).\r\nNote, using this ioapi-large version is not required for the CMAQ-ISAM Benchmark Case. \r\nIf a user needs to use larger setting for MXFILE3 and MXVAR3 to support their application, note that the memory requirements will be increased.\r\nThis version is available as a zip file from the following address:\r\n\r\nhttps://www.cmascenter.org/ioapi/download/ioapi-3.2-large-20200828.tar.gz\r\n\r\n**A note about solver configuration**\r\n\r\nISAM is currently only implemented for the EBI solver. For some CMAQ applications, the Rosenbrock solver is desirable and is set as the default in the sample runscripts. For example, this is the case when using the CB6R5M chemical mechanism for hemispheric simulations. In such cases, the bldit script needs to be modified to not select the Rosenbrock solver. While this may incur a performance penalty in terms of CPU time and increase the likelyhood of convergence warnings, it will allow the ISAM simulation to proceed in most cases.\r\n\r\n## 11.3 Run Instructions\r\n\r\nTo begin a CMAQ simulation with source apportionment enabled, the ISAM section of the runscript must be configured. The additional necessary environment variables are listed in Table 11-1.\r\n\r\n\r\n\r\n**Table 11-1. ISAM run script variables**\r\n\r\n|**Variable** | **Settings** | **Description**|\r\n|-------|----------|------------|\r\n|CTM_ISAM|Y/N|Set this to Y to enable ISAM|\r\n|SA_IOLIST|path/filename|Provide the location of the ISAM control file (discussed below)|\r\n|ISAM_BLEV_ELEV|\" MINVALUE MAX VALUE \"|LAYER range for the instantaneous ISAM output concentrations|\r\n|AISAM_BLEV_ELEV|\" MINVALUE MAX VALUE \"|LAYER range for the average ISAM output concentrations|\r\n|ISAM_NEW_START|Y/N|set Y for a new simulation and N for continuing from a previous day's outputs|\r\n|ISAM_PREVDAY|path/filename|Provide the location of the previous day's ISAM restart file|\r\n|SA_ACONC_1|path/filename|ISAM output for average apportioned concentrations|\r\n|SA_CONC_1|path/filename|ISAM output for instanteneous apportioned concentrations|\r\n|SA_DD_1|path/filename|ISAM output for apportioned dry deposition|\r\n|SA_WD_1|path/filename|ISAM output for apportioned wet deposition|\r\n|SA_CGRID_1|path/filename|ISAM output for a restart file to continue the simulation further in time|\r\n|ISAM_O3_WEIGHTS| 1,2,3,4,5 (default is 5) | sets what tracked species are favored or _weighted_ when determining apportionment in gas phase chemistry |\r\n|ISAM_NOX_CASE| 1,2,3,4 (default is 2) | what tracked species are weighted when grid cell NOx limited ozone production. Only used if ISAM_O3_WEIGHT equal 5. | \r\n|ISAM_VOC_CASE| 1,2,3,4 (default is 4) | what tracked species are weighted when grid cell VOC limited ozone production. Only used if ISAM_O3_WEIGHT equal 5. | \r\n|VOC_NOX_TRANS | >= 0.0 (default is 0.35)| value of Prod H2O2 over Prod HNO3 less than where ISAM_VOC_CASE weights are used. Otherwise, ISAM_NOX_CASE weights are used. VOC_NOX_TRANS only used if ISAM_O3_WEIGHT equal 5.|\r\n\r\nAdditionally, ISAM can track emissions confined to geographic regions. This functionality can be enabled through CMAQ's `RegionsRegistry` set in the `CMAQ_Control_DESID` namelist (Appendix B.4) and is discussed further below.\r\n\r\n\r\n\r\n#### ISAM and bidirectional NH3 exchange\r\n\r\nISAM in CMAQ v5.3 supports bidirectional NH3 exchange using both M3Dry and STAGE deposition options. To run with this option the AMMONIUM species class must be set in the ISAM control file \r\n\r\n```\r\nTAG CLASSES |AMMONIUM\r\n```\r\n\r\nand the ABFLUX must be set in the run script.\r\n\r\n```\r\nsetenv CTM_ABFLUX Y #> ammonia bi-directional flux for in-line deposition\r\n\r\n```\r\n\r\nSetting these options will automatically set the BID tag for model output. Modeled species output with the BID tag represent the influence of NH3 emissions from fertilizer and biogenic NH3 emission sources. Biogenic NH3 emissions include the evasion of NH3 from non-agricultural vegetation and soil NH4 pools as parameterized in the STAGE or M3Dry models. \r\n\r\n#### ISAM run-time options for gas chemistry and ozone production\r\n\r\nIn the runtime table, the last four rows deal with ISAM's method for apportioning source contributions from gas chemistry. They weight specific species that are chemical reactants so a reaction's product are totally apportioned to the weighted reactant. If both reactants are weighted, products are equally apportioned between reactants. Note that the unmodified method always equally apportions products. The changes seek to isolate sources that emit or secondary produce the weighted reactants because their sources are controllable or deemed responsible for deteriorating air quality. \r\n\r\nThe weighting schemes focus on apportioning NOx and ozone concentrations so weighted species include several reactive nitrogen compounds, oxygenated VOCs, organic peroxy radicals and operators. A new runtime option, ISAM_O3_WEIGHTS, determines what species are weighted. The below two tables define what different values set for ISAM_O3_WEIGHTS. The first define option values 1 thru 4. Option 1 reproduces results from the unmodified code. The second table describes option 5 that toggles between two weight settings listed in the first table.\r\n\r\n| **Species** |\t **Option 1** |\t**Option 2** |\t **Option 3** |\t **Option 4** |\r\n|:-----------:|:-------------:|:------------:|:--------------:|:--------------|\r\n| NO\t | NO\t | YES\t | YES\t | NO |\r\n|NO2\t |NO\t |YES\t |YES\t |NO |\r\n|NO3\t |NO\t |YES\t |YES\t |NO |\r\n|HONO\t |NO\t |YES\t |YES\t |NO |\r\n|ANO3(I or J)\t| NO\t | YES\t | YES\t |NO |\r\n|HCHO\t | NO\t | NO\t |YES\t |YES |\r\n|CH3CHO\t | NO\t | NO\t |YES\t |YES |\r\n|Higher Aldehydes | NO\t | NO\t |YES\t |YES |\r\n|Acetone\t | NO\t | NO\t |YES\t |YES |\r\n|Lumped Ketones\t | NO\t | NO\t |YES\t |YES |\r\n|Isoprene peroxy radical\t |NO\t |NO\t | YES\t |YES |\r\n|Acetyl peroxy radicals\t |NO\t |NO\t | YES\t |YES |\r\n|peroxy operators(such as cb6's XO2 and XO2H)|NO\t|NO |\tYES\t |YES |\r\n\r\n| **Option 5 Algorithm** | \r\n|:----------------------:| \r\n| IF( (H2O2 production)/(HNO3 Production) > VOC_NOX_TRANS){ISAM_NOX_CASE}else{ISAM_VOC_CASE} |\r\n\t\r\nThe runtime options, ISAM_NOX_CASE and ISAM_VOC_CASE, determine the two settings. Toggling is determined by whether the cell grid's ozone production has NOx or VOC limiting conditions. Option 5 uses H2O2 production over HNO3 production (see appendix A in Sillman (1995)) whether former or latter condition exists. Sillman (1995) states that VOC limiting exist when the ratio is less than 0.35 but the ratio's transition value is uncertain (Tonnesen and Dennis, 2000a and 2000b) so a final runtime option sets the transition value, VOC_NOX_TRANS. Note that all the repositories run-scripts include the below commands setting the new ISAM options using their default values.\r\n\r\n #> Options used to favor tracked species in reaction for Ozone-NOx chemistry\r\n setenv ISAM_O3_WEIGHTS 5 # weights for tracked species Default is 5\r\n # OPTIONS\r\n # 1 does not weight any species\r\n # 2 weights NOx and subset of NOz species\r\n # 3 uses with from option 2 plus weight OVOC species, organic radicals and operators\r\n # 4 weight OVOC species, organic radicals and operators\r\n # 5 toggles between two wieghting set based on VOC and NOx limiting ozone production\r\n # Below options only used if ISAM_O3_WEIGHTS set to 5\r\n setenv ISAM_NOX_CASE 2 # weights for tracked species when ozone production is NOx limiting. Default is 2\r\n setenv ISAM_VOC_CASE 4 # weights for tracked species when ozone production is VOC limiting. Default is 4\r\n setenv VOC_NOX_TRANS 0.35 # value of Prod H2O2 over Prod HNO3 less than where\r\n # ISAM_VOC_CASE weights are used. Otherwise, ISAM_NOX_CASE\r\n # weights are used. Default is 0.35\r\n\t\r\n### 11.3.1 ISAM control file (SA_IOLIST)\r\n\r\nThe ISAM `SA_IOLIST` is a text file used to configure which tag classes, emissions streams, and source regions the model will track. An example of this file, `isam_control.txt`, is provided in $CMAQ_HOME/CCTM/scripts. The order and formating of this file must be kept intact, but it does allow for insertion of comment lines. \r\n\r\nEach ISAM simulation requires the specification of the `TAG CLASSES` that the user desires to apportion. The full list of available tag classes (e.g. `SULFATE`, `NITRATE`, `AMMONIUM`, `EC`, `OC`, `VOC`, `PM25_IONS`, `OZONE`, `OA_TOT`, or `PM_TOT`) and the species associated with each of these are provided in section 11.1. One or more of these tag classes must be specified in `SA_IOLIST`. Multiple tag classes are comma delimited. Incorrectly specified choices for this field will cause a model crash.\r\n\r\n```\r\nTAG CLASSES |OZONE, SULFATE\r\n```\r\n\r\nAfter setting tag classes for the simulation, information for one or more tags is required. Each individual tag will track the species from the specified `TAG CLASSES` and has its own set of three options in the control file. The first option is the name:\r\n\r\n```\r\nTAG NAME |EGU\r\n```\r\n\r\nIt is recommended that the text string for the tag name be kept short (three characters or less) in order to accommodate the longer species names from some chemical mechanisms in the ISAM output files. When a 'TAG NAME' is specified that is too long to accomodate every tagged CMAQ species name and the appended tag name, the resulting ISAM species name may not be able to be written to output files correctly, due to 16 character limit for variable names in IOAPI. For example, 'BUTADIENE13_EGU' would work, because it is 15 characters, but 'BUTADIENE13_EGUT1' would fail at 17 characters.\r\n\r\nThe second option is the comma delimited list of regions to track with this tag. The keyword 'EVERYWHERE' is used to track domain-wide emissions. To track region-constrained emissions, variable names from the regions file specified in the `CMAQ_Control_DESID` namelist are used instead of the \"EVERYWHERE' keyword. The regions file requirements are identical to the optional file used to scale emissions in predetermined geographical areas. See [Appendix B.4](Appendix/CMAQ_UG_appendixB_emissions_control.md#b4-applying-masks-for-spatial-dependence) for further details on the regions file, including how to download an example file.\r\n\r\n```\r\nREGION(S) |EVERYWHERE\r\n```\r\n\r\nor\r\n\r\n```\r\nREGION(S) |NC, SC, GA\r\n```\r\n\r\nFinally, the emissions streams labels are required as the third option in the control file. Labels correspond to emissions and other input streams set in build and run scripts for the base CMAQ simulation. Additionally, it is possible to specify 'PVO3' as a stream label in order to track contribution to concentrations from upper layer injections due to potential vorticity calculations. This option also requires enabling the corresponding run script variable to support these calculations. \r\n\r\n```\r\nEMIS STREAM(S) |PT_EGU, PT_NONEGU\r\n```\r\n\r\nThe final line in the control file needs to be kept unchanged in order to aid the file parser in reading this file.\r\n\r\n```\r\nENDLIST eof\r\n```\r\n\r\nIn addition to the user-specified list, ISAM will alway track and output three additional default tags with every simulation and the BID tag if the simulation includes both bidirectional NH3 and the 'AMMONIUM' species class (note, that at least one valid user-specified tag must be defined, so a minimum of 4 tags are required):\r\n\r\n```\r\nICO - contribution from initial conditions specified for the first day of the simulation\r\nBCO - contribution from boundary conditions throughout the simulation\r\nOTH - contribution from all non-tagged emissions streams and other processes in the model.\r\nBID - contribution from bidirectional NH3 exchange \r\n```\r\n\r\nPlease, note that, currently, ISAM results for the same user defined tag may differ depending on the overall configuration and content of the ISAM control file. This weakness of the method is detailed in the last section of the [ISAM Chemistry Supplement](Supplement/CMAQ_ISAM_Chemistry_Supplemental_Equations.pdf). Generally, tracking a larger number of tags produces more consistent apportionment results. \r\n\r\n#### Defining ISAM Tags for In-line Sources.\r\n \r\nThe CMAQ model allows several types of emissions that are calculated in-line or during a model simulation instead of provided by the user as inputs. A simulation can use all of these inline emissions and ISAM can calculate apportionment from these sources. The former is done by setting appropriate emissions options in the CMAQ runscript. For ISAM to calculate apportionment for an in-line source, the isam control file needs to define a tagname using the correct stream name. The below table lists currently supported inline emissions streams in CMAQ:\r\n \r\n|**Emission Stream Name**|**Inline Emissions Source**|\r\n|-----------|------------------------|\r\n| BIOG | Biogenic Emissions (BEIS) |\r\n| MIOG | Biogenic Emission (MEGAN) |\r\n| MGEGM | Marine Gas Emissions |\r\n| LTNG | Lightning NO Emissions |\r\n| ASEA | Sea Spray Aerosol Emissions |\r\n| DUST | Wind-Blown Dust Emissions |\r\n| PVO3 | Potential Vorticity Incursion* |\r\n\r\n*Although it is not an emission stream, it is possible to tag the ozone incursions at the top of the simulated volume if the potential vorticity option `CTM_PVO3` is activated in the run script.\r\n\r\n#### Interpretation of 'OTH' tag\r\nThe OTH tag (e.g.“O3_OTH” in the ISAM benchmark) represents concentrations for that species attributed to 1) all other emissions streams, 2) precursor species not included in the specified tag class(es), and 3) other processes in the model.\r\n\r\nFor item 1), this includes internally calculated emissions that a user decides to exclude from the control file (perhaps to reduce computational cost of running with tags that are not of interest to a particular application). These are things like online biogenics, online lightning, dust, etc.\r\n\r\nFor item 2), these are some secondarily produced intermediate species that have minor impact on ozone production.\r\n\r\nFor item 3), these are processes in the model that create a given species but not from the emissions streams that can be specified with the control file. For example, 'O3_OTH' includes ozone that is produced from background methane that is specified in the model as a constant.\r\n\r\nFinally, ISAM is an approximation for attribution. In the formulation, assumptions are made about which species are most important in the chemical formuation of the species being studied. For example in cb6r3 based mechanisms, peroxyl radicals from aromatic compounds affect ozone production by a small amount so ISAM neglects their contribution. The contribution to ozone from species not included in the ISAM formulation will go into 'O3_OTH', even if the emission source of these species is included in the control file. \r\n\r\n## 11.4 ISAM Benchmark \r\nSee the [CMAQ-ISAM Benchmark Tutorial](Tutorials/CMAQ_UG_tutorial_ISAM.md) for step-by-step instructions for running the 2 day benchmark case. The input files for the CMAQv5.5 ISAM benchmark case are the same as the benchmark inputs for the base model. Output source apportionment files associated with the sample `isam_control.txt` provided in this release package are included in the benchmark outputs for the base model. The tutorial also provides example instructions for post-processing ISAM output for individual species contained in the SA_ACONC_1 output file into aggregate species like NOx or PM2.5 using the [`combine`](../../POST/combine/README.md) utility and customized `SPECIES_DEF` species definition files. Note that the [Explicit and Lumped Model Output (ELMO) module](./Appendix/CMAQ_UG_appendixF_elmo_output.md) available for aggregating base model concentrations does not currently support the aggregation of ISAM species within CMAQ, necessitating a customized post-processing workflow. \r\n\r\n## 11.5 References\r\n\r\nKwok, R.H.F, Napelenok, S.L., & Baker, K.R. (2013). Implementation and evaluation of PM2.5 source contribution analysis in a photochemical model. Atmospheric Environment, 80, 398–407 [doi:10.1016/j.atmosenv.2013.08.017](https://doi.org/10.1016/j.atmosenv.2013.08.017).\r\n\r\nKwok, R.H.F, Baker, K.R., Napelenok, S.L., & Tonnesen, G.S. (2015). Photochemical grid model implementation of VOC, NOx, and O3 source apportionment. Geosci. Model Dev., 8, 99-114. [doi:10.5194/gmd-8-99-2015](https://doi.org/10.5194/gmd-8-99-2015). \r\n\r\nSillman, Sanford. (1995). The use of NOy, H2O2, and HNO3 as indicators for ozone-NOx-hydrocarbon sensitivity in urban locations. Journal of Geophysical Research. 1001. 14175-14188.\r\n\r\nTonnesen, G.S. & Dennis, R.L. (2000a). Analysis of radical propagation efficiency to assess ozone sensitivity to hydrocarbons and NOx. 1. Long-lived species as indicators of ozone concentration sensitivity. Journal of Geophysical Research. 105. 9213-9225.\r\n\r\nTonnesen, G.S. & Dennis, R.L. (2000b). Analysis of radical propagation efficiency to assess ozone sensitivity to hydrocarbons and NOx. 2. Long-lived species as indicators of ozone concentration sensitivity. Journal of Geophysical Research. 105. 9227-9241.\r\n\r\n**Contact**\r\n\r\n[Sergey L. Napelenok](mailto:napelenok.sergey@epa.gov), Computational Exposure Division, U.S. EPA\r\n\r\n\r\n\r\n\r\n[<< Previous Chapter](CMAQ_UG_ch10_HDDM-3D.md) - [Home](README.md) - [Next Chapter >>](CMAQ_UG_ch12_sulfur_tracking.md)
\r\nCMAQv5.5 User's Guide
\r\n\r\n\r\n\r\n\r\n\r\n[link_11_pdf]: ./Supplement/CMAQ_ISAM_Chemistry_Supplemental_Equations.pdf \r\n\r\n\r\n\r\n[link_11_pdf]: https://github.com/USEPA/CMAQ/blob/main/DOCS/Users_Guide/Supplement/CMAQ_ISAM_Chemistry_Supplemental_Equations.pdf\r\n" }, { "path": "DOCS/Users_Guide/CMAQ_UG_ch12_sulfur_tracking.md", "content": "\r\n\r\n\r\n[<< Previous Chapter](CMAQ_UG_ch11_ISAM.md) - [Home](README.md) - [Next Chapter >>](CMAQ_UG_ch13_WRF-CMAQ.md)\r\n\r\n\r\n\r\n# 12. Sulfur Tracking Method\r\n## 12.1 Introduction\r\nStarting with CMAQv5.3, a runtime diagnostic model option that provides detailed information on the modeled sulfur budget. This option, referred to as the \"Sulfur Tracking Method (STM)\", tracks sulfate production from gas- and aqueous-phase chemical reactions, as well as contributions from emissions and initial and boundary conditions. Each tracked species is treated as other modeled species, undergoing transport (advection, diffusion, cloud-mixing) and removal by deposition (both wet and dry). Several notable features in the CMAQv5.3 release of STM include:\r\n\r\n- The STM is now a runtime option enabled by an environment variable.\r\n- Additional species (Table 12-2) are included to track the loss of inorganic sulfate to organosulfate for chemical mechanisms that include this loss pathway.\r\n\r\n## 12.2 Usage\r\n\r\nTo activate the STM option, edit the CCTM runscript and set the following environment variable to \"Y\" (the default is \"N\"):\r\n\r\n- setenv STM_SO4TRACK Y\r\n\r\nThe STM option does not require any additional input files, and uses the initial conditions, boundary conditions, and emissions files available for with the standard, non-instrumented CCTM.\r\n\r\nNext, run the CMAQ CTM following the instructions described in Chapter 5, section 5.7.\r\n\r\nNote that several of the standard CMAQ output files (ACONC, CONC, CGRID, DDEP, and WDEP) will include additional species beyond the standard base model species list. A list of the additional species output by the STM option are provided in Table 12-1 and Table 12-2. These data can be post-processed using standard utilities, such as:\r\n\r\n- combine (to combine multiple days into one file or to aggregate various tracking species)\r\n- m3tproc (to sum/average over multiple days)\r\n- verdi (for data visualization)\r\n\r\n\r\n\r\n**Table 12-1. Sulfur Tracking Species List**\r\n\r\n|Species Group|Species Name| MW | Description |\r\n|:------------|:-----------|:-----|:------------|\r\n|AE |ASO4AQH2O2J | 96.0 |Accumulation mode sulfate (ASO4J) produced by aqueous-phase hydrogen peroxide oxidation reaction: H2O2 + S(IV) -> S(VI) + H2O |\r\n|AE |ASO4AQO3J | 96.0 |ASO4J produced by aqueous-phase ozone oxidation reaction: O3 + S(IV) -> S(VI) + O2 |\r\n|AE |ASO4AQFEMNJ | 96.0 |ASO4J produced by aqueous-phase oxygen catalyzed by Fe3+ and Mn2+ oxidation reaction: O2 + S(IV) -> S(VI) |\r\n|AE |ASO4AQMHPJ | 96.0 |ASO4J produced by aqueous-phase methyl hydrogen peroxide oxidation reaction: MHP + S(IV) -> S(VI) |\r\n|AE |ASO4AQPAAJ | 96.0 |ASO4J produced by aqueous-phase peroxyacetic acid oxidation reaction: PAA + S(IV) -> S(VI) |\r\n|AE |ASO4GASJ | 96.0 |ASO4J condensation following gas-phase reaction: OH + SO2 -> SULF + HO2 |\r\n|AE |ASO4EMISJ | 96.0 |ASO4J from source emissions |\r\n|AE |ASO4ICBCJ | 96.0 |ASO4J from boundary and initial conditions |\r\n|AE |ASO4GASI | 96.0 |Aitken mode sulfate (ASO4I) nucleation and/or condensation following gas-phase reaction: OH + SO2 -> SULF + HO2 |\r\n|AE |ASO4EMISI | 96.0 |ASO4I from source emissions |\r\n|AE |ASO4ICBCI | 96.0 |ASO4I from boundary and initial conditions |\r\n|AE |ASO4GASK | 96.0 |Coarse mode sulfate (ASO4K) condensation following gas-phase reaction: OH + SO2 -> SULF + HO2 |\r\n|AE |ASO4EMISK | 96.0 |ASO4K from source emissions |\r\n|AE |ASO4ICBCK | 96.0 |ASO4K from boundary and initial conditions |\r\n|NR |SULF_ICBC | 98.0 |Sulfuric acid vapor (SULF) from boundary and initial conditions |\r\n\r\n\r\n\r\n**Table 12-2. Additional Tracking Species Representing Loss of Inorganic Sulfate to Organosulfate (only included if using SAPRC07TIC_AE7I, CB6R3_AE7, CB6R5_AE7,CB6R5M_AE7, CRACMM1 or CRACMM1AMORE based mechanisms)**\r\n\r\n|Species Group|Species Name| MW | Description |\r\n|:------------|:-----------|:-----|:------------|\r\n|AE |OSO4J | 96.0 |Loss of ASO4J to organosulfate |\r\n|AE |OSO4AQH2O2J | 96.0 |Loss of ASO4AQH2O2J to organosulfate |\r\n|AE |OSO4AQO3J | 96.0 |Loss of ASO4AQO3J to organosulfate |\r\n|AE |OSO4AQFEMNJ | 96.0 |Loss of ASO4AQFEMNJ to organosulfate |\r\n|AE |OSO4AQMHPJ | 96.0 |Loss of ASO4AQMHPJ to organosulfate |\r\n|AE |OSO4AQPAAJ | 96.0 |Loss of ASO4AQPAAJ to organosulfate |\r\n|AE |OSO4GASJ | 96.0 |Loss of ASO4GASJ to organosulfate |\r\n|AE |OSO4EMISJ | 96.0 |Loss of ASO4EMISJ to organosulfate |\r\n|AE |OSO4ICBCJ | 96.0 |Loss of ASO4ICBCJ to organosulfate |\r\n\r\n**Contact**\r\n\r\n [William T. Hutzell](mailto:hutzell.bill@epa.gov), U.S. EPA\r\n \r\n\r\n\r\n[<< Previous Chapter](CMAQ_UG_ch11_ISAM.md) - [Home](README.md) - [Next Chapter >>](CMAQ_UG_ch13_WRF-CMAQ.md)
\r\nCMAQv5.5 User's Guide
\r\n\r\n\r\n" }, { "path": "DOCS/Users_Guide/CMAQ_UG_ch13_WRF-CMAQ.md", "content": "\n\n[<< Previous Chapter](CMAQ_UG_ch12_sulfur_tracking.md) - [Home](README.md) - [Next Chapter >>](CMAQ_UG_ch14_MPAS-CMAQ.md)\n\n\n\n# 13. WRF-CMAQ Model\n\n## 13.1 Introduction\nAir Quality Models (AQMs) such as CMAQ are typically run in retrospective mode using archived meteorological data to drive the chemistry-transport calculations. Here the model producing the meteorological data is run first producing inputs that are synthesized into AQM model-ready inputs via pre-processors, such as MCIP. \n \nBut this one-way coupling process interpolates simulated dynamics and does not consider the effects of atmospheric pollutants on the energy budget of the atmosphere, both of which can change the driving meteorology. For example, aerosols can affect the amount of sunlight that reaches the surface, thus impacting temperature (aerosol direct effect). \n\nTo address these shortcomings, a coupled WRF-CMAQ model was developed (Wong et al., 2012). A single source code principle was used to construct this two-way coupling system so that CMAQ can be executed either as a stand-alone model or part of the coupled system without any code changes, by treating CMAQ as a subroutine in the WRF structure; this approach eliminates maintenance of separate code versions for the coupled and uncoupled systems. \n \nThe design also provides the flexibility to permit users: (1) to adjust the call frequency of WRF and CMAQ to balance the accuracy of the simulation versus computational intensity of the system, and (2) to execute the two-way coupling system with feedbacks to study the effect of gases and aerosols on short wave radiation and subsequent simulated dynamics. \n\n## 13.2 Aerosol Direct Radiative Feedback Effects\nThe presence of aerosols impacts the amount of radiation reaching the surface, in turn altering the energy budget of the atmosphere (manifesting itself as changes to temperature and the planetary boundary layer height). This is called the shortwave aerosol direct radiative effect. This has been implemented in the shortwave Rapid Radiative Transfer Model for General Circulation Models (RRTMG) radiation scheme in WRF, where aerosol optical properties such as extinction, single scattering albedo, and asymmetry factor are calculated for 14 wavelength bands (Clough et al. 2005) using aerosol composition and size information simulated by CMAQ. Specifically, data representing seven aerosol quantities (water soluble mass, water insoluble mass, elemental carbon, sea salt, water, geometric mean diameters, and standard deviations) for all three aerosol modes (Aitken, accumulation, and coarse) is transferred from CMAQ to WRF. The implementation utilizes the core-shell model where black carbon is treated as the center and the other substances comprise the shell. The aerosol optics calculations are based on Bohren and Huffman (1983). RRTMG is the only radiation scheme in WRF that is supported by the coupled WRF-CMAQ model.\n\n## 13.3 Application and Evaluation \nThe aerosol optics calculations in the WRF-CMAQ model were assessed through comparison to measured optical properties of ambient aerosols made during the Carbonaceous Aerosol and Radiation Effects Study (CARES) as detailed by Gan et al. (2015a).\n\nThe ability of the WRF-CMAQ system to reproduce historical trends in the tropospheric aerosol burden, aerosol optical depth, and clear-sky short wave radiation across the northern hemisphere and the U.S., was assessed through extensive comparisons of long-term simulations of these quantities with observation-derived records from 1990 to 2010 (Xing et al. 2015a,b; Gan et al., 2015b). The model captured declining Aerosol Optical Depth (AOD) trends along with the corresponding decreased top-of-atmosphere (TOA) short-wave radiation (SWR), or upwelling, and increased surface SWR, or downwelling, in the eastern US, Europe and the northern Atlantic for the 2000–2010 period. Estimates of the aerosol direct radiative effects (ADE) at TOA were comparable with those derived from measurements and, compared to general circulation models, the model exhibited better estimates of surface-aerosol direct radiative efficiency (Eτ) (Xing et al., 2015b).\n\nAdditionally, top-of-atmosphere clear-sky shortwave radiation during 2000-2010, inferred from the NASA Cloud and Earth’s Radiant Energy System (CERES) satellite retrievals, showed decreasing trends in the eastern U.S. and increasing trends in eastern China. The inclusion of ADE in WRF-CMAQ yielded better agreement with these contrasting trends suggesting that the trends in clear-sky radiation are influenced by trends in the tropospheric aerosol burden (Xing et al., 2015ab; Mathur et al., 2017).\n \nImpacts of aerosol cooling are not limited to changes in surface temperature, since variation in atmospheric dynamics caused by the increased stability can worsen local air quality and impact human health (Xing et al., 2016).\n \nHemispheric WRF-CMAQ model simulation over two decades (1990−2010) shows enhanced surface PM2.5 concentrations in the most polluted regions of the world due to the aerosol direct effect (Xing et al., 2016).\n\n\n## 13.4 Latest WRF-CMAQ Release\n\nCoupled WRF-CMAQv5.5 is compatible with WRF versions 4.4 to 4.5.1. EPA's testing of WRF-CMAQ has included chemical mechanisms CB6r5 and CRACMMv1 with the M3DRY dry deposition scheme. Other model options can be used with the WRF-CMAQ model but will have limited user support for issues that are encountered.\n\nA complete step by step build process and run instructions are provided in the [WRF-CMAQ Tutorial](Tutorials/CMAQ_UG_tutorial_WRF-CMAQ_Benchmark.md).\n\n#### WRF-CMAQ bug in v5.3 series\nA bug was identified within the CMAQ to WRF coupling routine (twoway_feedback.F90) where aerosol feedback information is transferred from CMAQ to WRF. In doing so, it was found that WRF was not receiving the correct aerosol feedback information in some cases due to a looping error relating to the number of layers. The bug impacts the WRF-CMAQ coupled system in the CMAQv5.3 release series (v5.3, v5.3.1, v5.3.2, v5.3.3) when running with short wave radiative feedback. The bug was not present in prior WRF-CMAQ versions. The bugfix in CMAQv5.4 (and all subsequent versions) correctly captures the variations in the aerosol optical properties and consequently the direct feedback effects through all layers. **Users of WRF-CMAQv5.3 are strongly encouraged to update to CMAQv5.4 or later. See the [WRF-CMAQ Bugfix Release Note](../Release_Notes/CMAQ-Release-Notes:-WRF-CMAQ-Coupled-Model) for more information.** \n\n## 13.5 WRF-CMAQ Benchmark Test Case\nSee the [WRF-CMAQ Benchmark Tutorial](Tutorials/CMAQ_UG_tutorial_WRF-CMAQ_Benchmark.md) for step-by-step instructions for running the 2 day benchmark case. The input files for the WRF-CMAQ benchmark case are provided in the base model benchmark inputs .tar file. Output WRF-CMAQ files associated with the sample run script for the coupled WRF-CMAQ model in this release package are provided in the base model benchmark outputs .tar file. \n\n## 13.6 WRF Namelist Options\n\nAs with the previous version of the coupled model (WRFv4.4-CMAQv5.4), all related runtime options are controlled via the WRF namelist under the &wrf_cmaq section. For convenience these options are set as runscript variables (look for the section labeled &wrf_cmaq in the [sample runscript][link_13.6]) and automatically duplicated when creating the WRF namelist. There are five parameters with varying options (see below): \n \n \n| Name | Value | Description | \n|------|-------|-------------|\n|wrf_cmaq_option| 2 |Dictates how the coupled model should be executed
0 = run WRF only
1 = run WRF only producing MCIP like GRID and MET files
2 = run WRF-CMAQ coupled model w/o producing MCIP like GRID and MET files
3 = run WRF-CMAQ coupled model producing MCIP like GRID and MET files |\n|wrf_cmaq_freq| 5 |Indicates how often WRF and CMAQ interact;
For example if set to 5, this means for every 5 WRF steps there will be 1 CMAQ step|\n|met_file_tstep| 10000 |Time step size of MCIP like intermediate output files (HHMMSS)|\n|direct_sw_feedback| .true. |Logical; whether to turn on/off aerosol shortwave direct effects|\n|feedback_restart| .false. |Logical; whether aerosol shortwave direct effect information is available in the WRF restart file|\n \nIf you have any questions, please contact David Wong at wong.david-c@epa.gov\n\n\n## 13.7 References\n\nBohren, C. F. and Huffman, D. R. (1983). Absorption and Scattering of Light by Small Particles, Wiley-Interscience, New York, USA, 530 pp.\n\nClough, S.A., Shephard, M. W., Mlawer, E. J., Delamere, J. S., Iacono, M. J., Cady-Pereira, K., Boukabara, S., & Brown, P. D. (2005). Atmospheric radiative transfer modeling: a summary of the AER codes. J. Quant. Spectrosc. Ra., 91, 233–244.\n\nGan, C., Binkowski, F., Pleim, J., Xing, J., Wong, D-C., Mathur, R., Gilliam, R. (2015a). Assessment of the Aerosol Optics Component of the Coupled WRF-CMAQ Model using CARES Field Campaign data and a Single Column Model. Atmospheric Environment, 115, 670-682. https://doi.org/10.1016/j.atmosenv.2014.11.028 \n\nGan, C., Pleim, J., Mathur, R., Hogrefe, C., Long, C., Xing, J., Wong, D-C., Gilliam, R., Wei, C. (2015b). Assessment of long-term WRF–CMAQ simulations for understanding direct aerosol effects on radiation \"brightening\" in the United States. Atmospheric Chemistry and Physics, 15, 12193-12209. https://doi.org/10.5194/acp-15-12193-2015 \n\nMathur, R., Pleim, J., Wong, D., Otte, T., Gilliam, R., Roselle, S., Young, J. (2011). Overview of the Two-way Coupled WRF-CMAQ Modeling System. 2011 CMAS Conference, Chapel Hill, NC. Presentation available from the CMAS conference website. \n\nMathur, R., Xing, J., Gilliam, R., Sarwar, G., Hogrefe, C., Pleim, J., Pouliot, G., Roselle, S., Spero, T. L., Wong, D. C., Young, J. (2017). Extending the Community Multiscale Air Quality (CMAQ) modeling system to hemispheric scales: overview of process considerations and initial applications, Atmos. Chem. Phys., 17, 12449–12474, https://doi.org/10.5194/acp-17-12449-2017\n\nWong, D.C., Pleim, J., Mathur, R., Binkowski, F., Otte, T., Gilliam, R., Pouliot, G., Xiu, A., Kang, D. (2012). WRF-CMAQ two-way coupled system with aerosol feedback: software development and preliminary results. Geosci. Model Dev., 5, 299-312. https://doi.org/10.5194/gmd-5-299-2012\n\nXing, J., Mathur, R., Pleim, J., Hogrefe, C., Gan, C.-M., Wong, D. C., Wei, C. (2015a). Can a coupled meteorology–chemistry model reproduce the historical trend in aerosol direct radiative effects over the Northern Hemisphere?, Atmos. Chem. Phys., 15, 9997–10018, https://doi.org/10.5194/acp-15-9997-2015\n\nXing, J., Mathur, R., Pleim, J., Hogrefe, C., Gan, C.-M., Wong, D., Wei, C., Wang, J. (2015b). Air pollution and climate response to aerosol direct radiative effects: a modeling study of decadal trends across the Northern Hemisphere, J. Geophys. Res.-Atmos., 120, 12221–12236, https://doi.org/10.1002/2015JD023933\n\nXing, J., Wang, J., Mathur, R., Pleim, J., Wang, S., Hogrefe, C., Gan, C.-M., Wong, D., Hao, J. (2016). Unexpected benefits of reducing aerosol cooling effects, Environ. Sci. Technol., 50, 7527– 7534, https://doi.org/10.1021/acs.est.6b00767\n\nFor an overview of the 2-way Coupled WRF-CMAQ see: http://www.cmascenter.org/conference/2011/slides/mathur_overview_two-way_2011.pptx\n\nand for more details on the 2-way Coupled WRF-CMAQ system see: http://www.cmascenter.org/conference/2011/slides/wong_wrf-cmaq_two-way_2011.pptx\n\n\n\n[<< Previous Chapter](CMAQ_UG_ch12_sulfur_tracking.md) - [Home](README.md) - [Next Chapter >>](CMAQ_UG_ch14_MPAS-CMAQ.md)
\nCMAQv5.5 User's Guide
\n\n\n\n\n\n[link_13.6]: ../../CCTM/scripts/run_cctm_Bench_2018_12NE3.WRFCMAQ.csh \n\n \n\n[link_13.6]: https://github.com/USEPA/CMAQ/blob/main/CCTM/scripts/run_cctm_Bench_2018_12NE3.WRFCMAQ.csh \n\n" }, { "path": "DOCS/Users_Guide/CMAQ_UG_ch14_MPAS-CMAQ.md", "content": "\n\n[<< Previous Chapter](CMAQ_UG_ch13_WRF-CMAQ.md) - [Home](README.md) - [Tables and Figures >>](CMAQ_UG_tables_figures.md)\n\n\n\n# 14. MPAS-CMAQ Model\n\n## 14.1 Introduction\n\nThe atmospheric component of the Model for Prediction Across Scales (MPAS) is developed by the National Center for Atmospheric Research (NCAR). This meteorlogical model can be coupled with CMAQ starting with the release of CMAQ version 5.5. MPAS-CMAQ is currently available in a pre-configured simulation that uses a globally-uniform 120 km resolution mesh and the CRACMM2 chemical mechanism. Additional configurations may be made available on request, and tools for the creation of custom configurations will be included in future versions of CMAQ.\n\nThe MPAS-CMAQ model described here cannot be run in a stand-alone mode, with meteorological fields generated by MPAS used as input to CMAQ. This capability is planned for a future release.\n\n## 14.2 Documentation\n\nMPAS and CMAQ code are available on the [EPA's MPAS GitHub repository](https://github.com/USEPA/MPAS) and as a branch on the [CMAQ GitHub repository](https://github.com/USEPA/CMAQ/tree/MPAS_CMAQ) respecitively. The MPAS-CMAQ User's Guide is available in the [documentation directory](https://github.com/USEPA/CMAQ/blob/MPAS_CMAQ/DOCS/Users_Guide/PDF/MPAS_CMAQ_guide.pdf) of the MPAS-CMAQ branch. The MPAS-CMAQ User's Guide provides detailed information on downloading, compiling, configuring, and running the model. \n\n## 14.3 References of Interest\n\nBullock Jr., O. R., Foroutan, H., Gilliam, R. C., and Herwehe, J. A.: Adding four-dimensional data assimilation by analysis nudging to the Model for Prediction Across Scales – Atmosphere (version 4.0), Geosci. Model Dev., 11, 2897–2922, https://doi.org/10.5194/gmd-11-2897-2018, 2018.\n\nGilliam, R. C., Herwehe, J. A., Bullock, Jr, O. R., Pleim, J. E., Ran, L., Campbell, P. C., & Foroutan, H.: Establishing the suitability of the model for prediction across scales for global retrospective air quality modeling. Journal of Geophysical Research: Atmospheres, 126, e2020JD033588. https://doi.org/10.1029/2020JD033588, 2021.\n\nWong, D. C., Willison, J., Pleim, J. E., Sarwar, G., Beidler, J., Bullock, R., Herwehe, J. A., Gilliam, R., Kang, D., Hogrefe, C., Pouliot, G., and Foroutan, H.: Development of the MPAS-CMAQ Coupled System (V1.0) for Multiscale Global Air Quality Modeling, Geosci. Model Dev. Discuss. [preprint], https://doi.org/10.5194/gmd-2024-52, in review, 2024.\n\n\n[<< Previous Chapter](CMAQ_UG_ch13_WRF-CMAQ.md) - [Home](README.md) - [Tables and Figures >>](CMAQ_UG_tables_figures.md)
\nCMAQv5.5 User's Guide
\n\n\n\n" }, { "path": "DOCS/Users_Guide/CMAQ_UG_tables_figures.md", "content": "\r\n\r\n[<< Previous Chapter](CMAQ_UG_ch13_WRF-CMAQ.md) - [Home](README.md) - [Appendix >>](Appendix/CMAQ_UG_appendixA_model_options.md) \r\n\r\n\r\n\r\n# CMAQ User's Guide\r\n\r\n## List of Figures\r\n\r\n[Figure 2-1. Overview of the CMAQ System](CMAQ_UG_ch02_program_structure.md#Figure2-1)\r\n\r\n[Figure 5-1. CMAQ repository structure](CMAQ_UG_ch05_running_a_simulation.md#Figure5-1) \r\n\r\n[Figure 6-1. STAGE resistance diagram (modified from Nemitz et al., 2001) with table of variables descriptions](CMAQ_UG_ch06_model_configuration_options.md#Figure6-1)\r\n\r\n[Figure 9-1. Relative contribution of oxidation pathways for VOCs using Process Analysis](CMAQ_UG_ch09_process_analysis.md#Figure9-1) \r\n\r\n[Figure 9-2. Relative contribution of HNO3 formation pathways at three grid locations](CMAQ_UG_ch09_process_analysis.md#Figure9-2) \r\n\r\n## List of Tables\r\n\r\n[Table 3-1. Example of job scenarios at EPA for a single day simulation](CMAQ_UG_ch03_preparing_compute_environment.md#Table3-1)\r\n\r\n[Table 3-2. Minimum required software versions](CMAQ_UG_ch03_preparing_compute_environment.md#Table3-2)\r\n\r\n[Table 3-3. Optional support software for CMAQ](CMAQ_UG_ch03_preparing_compute_environment.md#Table3-3)\r\n\r\n[Table 4-1. CMAQ input files](CMAQ_UG_ch04_model_inputs.md#Table4-1) \r\n\r\n[Table 4-2. GC species namelist file format](CMAQ_UG_ch04_model_inputs.md#Table4-2) \r\n\r\n[Table 4-3. MCIP output variables used within the CMAQ system](CMAQ_UG_ch04_model_inputs.md#Table4-3) \r\n\r\n[Table 4-4. Variables in hourly observed lightning strike file.](CMAQ_UG_ch04_model_inputs.md#Table4-4) \r\n\r\n[Table 4-5. Variables in lightning parameters file.](CMAQ_UG_ch04_model_inputs.md#Table4-5) \r\n\r\n[Table 6-1. Aerosol Species Predicted by the Wind-Blown Dust Module](CMAQ_UG_ch06_model_configuration_options.md#Table6-1)\r\n\r\n[Table 6-2. Aerosol Species Predicted by the Sea-Spray Aerosol Module](CMAQ_UG_ch06_model_configuration_options.md#Table6-2)\r\n\r\n[Table 6-3. Chemical mechanisms available with CMAQv5.4](CMAQ_UG_ch06_model_configuration_options.md#Table6-3)\r\n\r\n[Table 7-1. CMAQ output files](CMAQ_UG_ch07_model_outputs.md#Table7-1)\r\n\r\n[Table 8-1. Software programs for evaluating and visualizing CMAQ data](CMAQ_UG_ch08_analysis_tools.md#Table8-1)\r\n\r\n[Table 9-1. Parameters used in PACM_INFILE](CMAQ_UG_ch09_process_analysis.md#Table9-1)\r\n\r\n[Table 9-2. Allowable parameters for Process Analysis outputs](CMAQ_UG_ch09_process_analysis.md#Table9-2)\r\n\r\n[Table 9-3. Allowable operators for Integrated Reaction Rate outputs](CMAQ_UG_ch09_process_analysis.md#Table9-3)\r\n\r\n[Table 11-1. ISAM run script variables](CMAQ_UG_ch11_ISAM.md#Table11-1)\r\n\r\n[Table 12-1. Sulfur Tracking species list](CMAQ_UG_ch12_sulfur_tracking.md#Table12-1)\r\n\r\n[Table 12-2. Additional Tracking Species Representing Loss of Inorganic Sulfate to Organosulfate](CMAQ_UG_ch12_sulfur_tracking.md#Table12-2)\r\n\r\n\r\n\r\n\r\n\r\n[<< Previous Chapter](CMAQ_UG_ch13_WRF-CMAQ.md) - [Home](README.md) - [Appendix >>](Appendix/CMAQ_UG_appendixA_model_options.md)
\r\nCMAQv5.5 User's Guide
\r\n\r\n\r\n" }, { "path": "DOCS/Users_Guide/README.md", "content": "# CMAQ User's Guide\n\n\nThe CMAQ User's Guide is designed to support the installation, configuration, and execution of the [Community Multiscale Air Quality (CMAQ)](http://www.epa.gov/cmaq) model on Linux systems. CMAQ users should be comfortable with Linux scripting conventions and have some familiarity with the Fortran programming language. Users should also have some familiarity with atmospheric structure, and the physical and chemical processes that occur in the atmosphere. \n\nNote: While this User's Guide is packaged with the code when it is downloaded or cloned, users are encouraged to go [online](https://github.com/USEPA/CMAQ/blob/main/DOCS/Users_Guide/README.md) for the latest version.\n\n## Table of Contents\n\n[Chapter 1 (Overview):](CMAQ_UG_ch01_overview.md) CMAQ background, features, requirements and support resources.\n\n[Chapter 2 (Program Structure):](CMAQ_UG_ch02_program_structure.md) Overview of the programs included with the CMAQ system.\n\n[Chapter 3 (Preparing Compute Environment):](CMAQ_UG_ch03_preparing_compute_environment.md) Hardware/software requirements for CMAQ default configuration.\n\n[Chapter 4 (Model Inputs):](CMAQ_UG_ch04_model_inputs.md) Preprocessing tools included with the base code and descriptions of the CMAQ input files. \n\n[Chapter 5 (Running CMAQ):](CMAQ_UG_ch05_running_a_simulation.md) Obtain the CMAQ source codes, set-up your environment, run a simulation.\n\n[Chapter 6 (Model Configuration Options):](CMAQ_UG_ch06_model_configuration_options.md) Configuration options for different CMAQ science modules.\n\n[Chapter 7 (Model Outputs):](CMAQ_UG_ch07_model_outputs.md) Descriptions of the CMAQ output files.\n\n[Chapter 8 (Analysis Tools):](CMAQ_UG_ch08_analysis_tools.md) Post-processing, visualization and evaluation tools for CMAQ.\n\n[Chapter 9 (Process Analysis and Budget):](CMAQ_UG_ch09_process_analysis.md) Instrumented Models - Integrated Process Rates (IPR), Integrated Reaction Rates (IRR), and Budget Tool.\n\n[Chapter 10 (HDDM-3D):](CMAQ_UG_ch10_HDDM-3D.md) Instrumented Models - Decoupled Direct Method in Three Dimensions (DDM-3D).\n\n[Chapter 11 (ISAM):](CMAQ_UG_ch11_ISAM.md) Instrumented Models - Integrated Source Apportionment Method (ISAM).\n\n[Chapter 12 (Sulfur Tracking):](CMAQ_UG_ch12_sulfur_tracking.md) Instrumented Models - Sulfur Tracking Method (STM).\n\n[Chapter 13 (WRF-CMAQ):](CMAQ_UG_ch13_WRF-CMAQ.md) WRF-CMAQ model for simulating interactions between chemistry and weather.\n\n[Chapter 14 (MPAS-CMAQ):](CMAQ_UG_ch14_MPAS-CMAQ.md) CMAQ is coulpled with the global Model for Prediction Across Scales (MPAS) allowing for seamless mesh refinement from global to local scales.\n\n[Tables and Figures:](CMAQ_UG_tables_figures.md) List of Tables and Figures.\n\n[Appendix A (Model Options):](Appendix/CMAQ_UG_appendixA_model_options.md) List of model options in configuration, compilation and run scripts.\n\n[Appendix B (Emissions Control):](Appendix/CMAQ_UG_appendixB_emissions_control.md) How to use the Emissions Control Namelist for customization of emissions processing.\n\n[Appendix C (Spatial Data):](Appendix/CMAQ_UG_appendixC_spatial_data.md) Information on how to create consistent geospatial data for CMAQ inputs.\n\n[Appendix D (Parallel Implementation):](Appendix/CMAQ_UG_appendixD_parallel_implementation.md) An introduction to how data-parallelism can be applied in the CMAQ system to increase computational efficiency. \n\n[Appendix E (Configuring WRF):](Appendix/CMAQ_UG_appendixE_configuring_WRF.md) Configuring the Weather Research and Forecasting Model (WRF) for use with CMAQ\n\n[Appendix F (ELMO Module):](Appendix/CMAQ_UG_appendixF_elmo_output.md) Description of the Explicit and Lumped CMAQ Model Output Module\n\n***\n\nCMAQv5.5 User's Guide
\n\n\n" }, { "path": "DOCS/Users_Guide/Tutorials/CMAQ_UG_tutorial_CRACMM.md", "content": "# Getting started with CRACMM\n\nAuthor: Havala Pye (pye.havala@epa.gov) | v5.4\n\nUpdate: Havala Pye (pye.havala@epa.gov) | v5.5\n\nCRACMM was first introduced in CMAQv5.4 as two versions: CRACMM1 and CRACMM1AMORE. Those versions are retained in v5.5 and an updated version, CRACMM2, is released for the first time. CRACMM2 merges the CRACMM and CRACMM-AMORE lines of development into one path going forward. Thus, CRACMM2 is an update to both CRACMM1 and CRACMM1AMORE. CRACMM has a separate supporting repository at https://www.github.com/USEPA/CRACMM which contains additional information to facilitate use of CRACMM in CMAQ. This tutorial provides an overview of how to get starting running CRACMM in CMAQ.\n\n## How is running CRACMM different than running other chemical mechanisms in CMAQ?\n\nRunning CRACMM is just like running other mechanisms in CMAQ. No matter what mechanism you choose, CMAQ will require several inputs that are mechanism specific (including the gas and aerosol species lists, initial conditions, boundary conditions, and emissions) as well as other inputs that are mechanism independent (meteorology, land use files, grid description file). Some of these inputs are distributed with CMAQ while others are generated from separate tools. See [Chapter 4 of the CMAQ Users' Guide](../CMAQ_UG_ch04_model_inputs.md) for a complete list of CMAQ inputs.\n\n## How do I select CRACMM?\n\nOnce you have obtained CMAQv5.5 and set up your project directory, CRACMM2 can be selected in the CCTM build script (CCTM/scripts/bldit_cctm.csh) by indicating \"CRACMM2\" as the Mechanism. The \"_aq\" extension is no longer part of the mechanism name starting with CRACMM2. The selection of the corresponding aerosol module, cloud module, and default gas-phase chemical solver will occur automatically in the build script based on the mechanism name. \n\nCurrently, CRACMM cannot be built with the gfortran compiler version 9.1 and later since CMAQ-CRACMM has trailing comments in the gas, aerosol, and non-reactive species namelists. If you want to pursue that compiler now, delete the comments (starting with \"!\" ) in the GC, AE, and NR namelists. Look for an upcoming bug fix on the v5.5+ branch that will address this issue.\n\n## What deposition and biogenic emission modules work with CRACMM? \n\nCRACMM is compatible and has been tested with both STAGE and M3DRY deposition modules. CRACMM is compatible with both BEIS and MEGAN in-line biogenic emissions.\n\n## How do I prepare emission inputs for CRACMM?\n\nCRACMM1 and CRACMM1AMORE use the same emissions since the two versions differ only in the representation of isoprene chemistry. \nCRACMM2 emissions are slightly different than CRACMM1 as ethylbenzene and styrene are now explicit. CRACMM2 emissions may be used in CRACMM1/CRACMM1AMORE (and vice versa) using approximations (see the work of Skipper et al. and https://github.com/USEPA/CRACMM/tree/main/emissions).\nCRACMM includes a set of rules for how individual organic species map to the mechanism species. \nThese rules are distributed in python code in the supporting repository. \nIn addition, the repository contains the mapping of individual organic species from the SPECIATE database, BEIS, and MEGAN to CRACMM species.\nCMAQ-ready emissions are generally prepared using the SMOKE model. \n\n## How do I obtain initial and boundary conditions?\n \nInitial and boundary conditions can be mapped from other mechanisms including Carbon Bond. The CMAQ repository bcon PREP tools (available in the PREP/bcon/map2mech folder) contain mappings from Carbon Bond to CRACMM. Initial conditions may be obtained in a similar manner. Because Carbon Bond species are not a good match to CRACMM species when emissions are fresh, the initial conditions should be followed by sufficient spin-up time to remove their influence. See the work by [Hogrefe et al.](\nhttps://doi.org/10.1016/j.atmosenv.2017.04.009) for the impact of initial conditions on CMAQ predictions as a function of spin-up time. The larger the domain (e.g., hemisphere vs a country) and the more remote the study area (e.g., free troposphere vs surface), the longer the spin-up time will need to be. Adequate spin-up time can always be checked by adding more spin-up days and verifying the model predictions have not significantly changed.\n\n## What does CRACMM assume about the volatility of primary organic aerosol and how to I prepare those emissions?\n\nThe majority of speciation profiles in SPECIATE assume POA is nonvolatile. A few volatility resolved profiles are in SPECIATE starting with v5.1, and work is underway to build volatility information for all relevant sources into future versions of SPECIATE. \n\n[S2S-Tool](https://github.com/USEPA/S2S-Tool) workflows in place for CRACMM supplement the POA information in SPECIATE by implementing semivolatile POA profiles in the emission files. \nPrior to S2S-Tool, workflows in place for CRACMM in v5.4 implemented semivoltile POA in the DESID control files by adding together PMOCN2 and PMNOCMN2 on the emission files to create a \ntotal POA equivalent that is then distributed to different volatility species in the model based on the expected volatility of POA emissions. Your specific configuration will depend on when and how your emissions were prepared.\n\nFor emissions to be properly ingested by CMAQ, three files need to be customized and synchronized for your simulation: \n* The run script. This is where the model is told what files to read in and each file (stream) is given a string label.\n* The DESID mechanism-specific namelist. This is where species on the emission files are mapped to model species. For older workflows, PMOCN2 and PMNCOMN2 can be mapped to species of different volatility.\n* The DESID mechanism-independent control file. This is where emission files can be grouped so that multiple sources can be treated the same (e.g., wildland fires, prescribed burning, and residential wood burning can have the same volatility profile).\n\n**The main CMAQ log file and the log file for at least one processor should be checked for any initial run.** Warnings about potential emission problems will be displayed in those logs. More guidance on using DESID is available in a [CMAQ emissions tutorial](CMAQ_UG_tutorial_emissions.md).\n\nCRACMM mechanisms currently allow traditional nonvolatile 'APOC' and 'ANCOM' as legacy species in the model. The species can be transported and removed but do not undergo any heterogeneous or other chemistry. This species will be removed in a future version. To use the model species 'APOC' and 'ANCOM', the DESID control file would need to include their mappings.\n\nIf your emission preparation workflow is custom, you can create semivolatle POA species directly in your inputs. CRACMM contains low volatility through semivolatile organic species with either alkane-like or oxygenated functionality that can represent semivolatile POA emissions. You can use the CRACMM python emission mapper to map emissions to representative CRACMM species. In CMAQ, check that the DESID files include your species names.\n\nFuture releases of CRACMM, CMAQ, and emission tools should be checked for cross compatibility.\n\n## Additional resources\n\n[SPECIATE Database](https://www.epa.gov/air-emissions-modeling/speciate): A database of PM2.5 and VOC emissions composition by individual species.\n\n[S2S-Tool](https://github.com/USEPA/S2S-Tool): A tool to convert SPECIATE profiles with individual species to profiles of mechanism species for use in SMOKE. Replaces Speciation Tool.\n\n[SMOKE](https://github.com/CEMPD/SMOKE/): A tool that combines emission magnitudes with speciation profiles as well as temporal and spatial proxies to create CMAQ-ready emission files.\n\n[CRAMM Repository](https://github.com/USEPA/CRACMM/): A repository containing additional information on how emissions map to CRACMM as well as metadata for CRACMM.\n" }, { "path": "DOCS/Users_Guide/Tutorials/CMAQ_UG_tutorial_DDM3D.md", "content": "## CMAQ-DDM3D Benchmark Tutorial ## \n\n### Procedure to build and run the CMAQ-DDM3D model using cb6r5 mechanism and m3dry dry deposition scheme using gnu compiler: ###\n\n### Step 1: Download and run the CMAQv5.5 cb6r5 benchmark case (without DDM3D) to confirm that your model run is consistent with the provided benchmark output.\n- [CMAQ Benchmark Tutorial](CMAQ_UG_tutorial_benchmark.md)\n\nIf you encounter any errors, try running the model in debug mode and refer to the CMAS User Forum to determine if any issues have been reported.\n\nhttps://forum.cmascenter.org/\n\n### Step 2: Read the User Guide Chapter on the Decoupled Direct Method in Three Dimensions\n- [CMAQ User's Guide Chapter on DDM-3D](../CMAQ_UG_ch10_HDDM-3D.md)\n\nNote: This benchmark is intended to demonstrate how to build and run CMAQ-DDM-3D with the provided input files:\n\nThe following control file is provided in the CCTM/scripts directory when you obtain the CMAQv5.5 code from github (step 5 below):\n\n```\nsensinput.2018_12NE3.dat\n```\n\nThe above file contains the following sensitivity definition block:\n\n```\nPPA\n EMIS\n PT_EGU\n SPECIES\n SO2\n REGION\n PA\n\nGNJ\n EMIS\n GRIDDED_EMIS\n SPECIES\n NO2, NO\n REGION\n NJ\n\nEND\n```\n\nThe following gridmask file is provided with the [5.5 benchmark inputs](https://cmaq-release-benchmark-data-for-easy-download.s3.amazonaws.com/index.html#v5_5/) tar file CMAQv5.4_2018_12NE3_Benchmark_2Day_Input.tar.gz. (See step 10 below.)\n\n```\nGRIDMASK_STATES_12NE3.nc\n```\n\nThe instructions require the user to edit the DESID emissions control namelist file and the DESID chemical control namelist file in the BLD directory. If you want to use emission scaling (independently from ISAM or DDM3D) you will also need to edit these files.\n\n```\nCMAQ_Control_DESID.nml\nCMAQ_Control_DESID_${MECH}.nml\n```\n\n\n### Step 3 (optional): choose your compiler, and load it using the module command if it is available on your system\n\n```\nmodule avail\n```\n\n```\nmodule load openmpi_4.0.1/gcc_9.1.0 \n```\n\n### Step 4 (optional): Install I/O API (note, this assumes you have already installed netCDF C and Fortran Libraries)\n\nI/O APIv3.2 supports up to MXFILE3=256 open files, each with up to MXVARS3=2048. DDM-3D applications configured to calculate sensitivities to a large number of parameters may exceed this upper limit of model variables, leading to a model crash. To avoid this issue, users may use I/O API version 3.2 \"large\" that increases MXFILE3 to 512 and MXVARS3 to 16384. Instructions to build this version are found in Chapter 3. Note, using this ioapi-large version is NOT REQUIRED for the CMAQ-DDM Benchmark Case. If a user needs to use these larger setting for MXFILE3 and MXVAR3 to support their application, the memory requirements will be increased. If needed, this version is available as a zip file from the following address:\n\nhttps://www.cmascenter.org/ioapi/download/ioapi-3.2-large-20200828.tar.gz\n\nOtherwise, use the I/O API version available here:\nhttps://www.cmascenter.org/ioapi/download/ioapi-3.2-20200828.tar.gz\n\n### Step 5: Install CMAQ with DDM-3D\n\n```\ngit clone -b main https://github.com/USEPA/CMAQ.git CMAQ_REPO\n```\n\nBuild and run in a user-specified directory outside of the repository\n\nIn the top level of CMAQ_REPO, the bldit_project.csh script will automatically replicate the CMAQ folder structure and copy every build and run script out of the repository so that you may modify them freely without version control.\n\nEdit bldit_project.csh, to modify the variable $CMAQ_HOME to identify the folder that you would like to install the CMAQ package under. For example:\n\n```\nset CMAQ_HOME = [your_install_path]/CMAQ_v5.5\n```\n\nNow execute the script.\n\n```\n./bldit_project.csh\n```\n\nChange directories to the CMAQ_HOME directory\n\n```\ncd [your_install_path]/CMAQ_v5.5\n```\n\n\n### Step 6. Edit the config_cmaq.csh to specify the paths of the ioapi and netCDF libraries\n\n### Step 7: Copy the bldit_cctm.csh script to a new bldit_cctm_cb6r5_m3dry_ddm.csh bldit script, and make the following edits:\n\nChange directory to CCTM/scripts\n\n```\ncd CCTM/scripts\ncp bldit_cctm.csh bldit_cctm_cb6r5_m3dry_ddm.csh\n```\n\nModify the following option to compile CCTM with DDM3D:\n\n```\nset DDM3D_CCTM #> uncomment to compile CCTM with DD3D activated\n```\n\n### Step 8: Run the bldit_cctm.csh script\n```\n./bldit_cctm_cb6r5_m3dry_ddm.csh gcc |& tee bldit_cctm_cb6r5_m3dry_ddm.log\n```\n\n### Step 9: Edit the Emission Control Namelist to recognize the CMAQ_REGIONS file \n\nChange directories to the build directory\n```\ncd BLD_CCTM_v55_DDM3D_gcc_cb6r5_ae7_aq_m3dry\n```\n\nedit the Control_DESID namelist file\n\n```\ngedit CMAQ_Control_DESID.nml\n```\n\nAdd the Regions to the &Desid_RegionDef section of the control DESID namelist.\n\n```\n&Desid_RegionDef\n Desid_Reg_nml =\n ! Region Label | File_Label | Variable on File\n 'EVERYWHERE' ,'N/A' ,'N/A',\n 'PA' ,'CMAQ_MASKS' , 'PA',\n 'NJ' ,'CMAQ_MASKS' , 'NJ',\n/\n```\n\n### Step 10: Example of emissions scaling (Reduce the PT_EGU emissions in PA by 25%) (Optional step)\n\nedit the DESID chemical control namelist file, note please specify the mechanism or define the MECH environment variable.\n\n\n```\n#gedit CMAQ_Control_DESID_${MECH}.nml\ngedit CMAQ_Control_DESID_cb6r5_ae7_aq.nml\n```\n\nAdd the following line at the bottom of the the namelist file (before the /)\n\n```\n ! PT_EGU Emissions Scaling reduce PT_EGU emissions in Pennsylvania by 25%. Note, to reduce the emissions by 25% we use DESID to multiply what had been 100% emissions by .75, so that the resulting emissions is reduced by 25%.\n 'PA' , 'PT_EGU' ,'All' ,'All' ,'All' ,.75 ,'UNIT','o',\n\n```\n\n\n### Step 11: Install the CMAQ-DDM-3D reference input and output benchmark data\n\nDownload the CMAQ two day reference input and output data from the [CMAS Center Data Warehouse Amazon Web Services S3 Bucket](https://cmaq-release-benchmark-data-for-easy-download.s3.amazonaws.com/index.html#v5_5/): CMAQv5.4_2018_12NE3_Benchmark_2Day_Input.tar.gz\tand output_CCTM_v55_DDM3D_gcc_Bench_2018_12NE3_cb6r5_ae7_aq_m3dry.tar.gz. The CMAQ benchmark test case is a two day simulation for July 1-2 2018 on a 100 column x 105 row x 35 layer 12-km resolution domain over the northeast U.S that uses the cb6r5_ae7_aq mechanism and the m3dry dry deposition scheme. \n\nDownload and copy the data to `$CMAQ_DATA`. Navigate to the `$CMAQ_DATA` directory, unzip and untar the two day benchmark input and output files:\n\n```\ncd $CMAQ_DATA\nwget https://cmaq-release-benchmark-data-for-easy-download.s3.amazonaws.com/v5_5/CMAQv5.4_2018_12NE3_Benchmark_2Day_Input.tar.gz\ntar xvzf CMAQv5.4_2018_12NE3_Benchmark_2Day_Input.tar.gz\nmkdir ref_output\ncd ref_output\nwget https://cmaq-release-benchmark-data-for-easy-download.s3.amazonaws.com/v5_5/output_CCTM_v55_DDM3D_gcc_Bench_2018_12NE3_cb6r5_ae7_aq_m3dry.tar.gz\ntar xvzf output_CCTM_v55_DDM3D_gcc_Bench_2018_12NE3_cb6r5_ae7_aq_m3dry.tar.gz\n```\n\n \n### Step 12: Review the CMAQ-DDM3D runscript\n\n```\ngedit run_cctm_Bench_2018_12NE3_cb6r5_m3dry_ddm.csh\n```\n\nVerify General Parameters for Configuring the Simulation\n\n```\n set VRSN = v55_DDM3D\n```\n\n\nVerify that script turns on DDM3D, uncomments SEN_INPUT file and sets the number of sensitivity parameter to match the SEN_INPUT\n\n```\n setenv CTM_DDM3D Y \n setenv SEN_INPUT ${WORKDIR}/sensinput.2018_12NE3.dat\n set NPMAX = 2 # Number of sensitivity parameters defined in SEN_INPUT\n```\n \nRun or Submit the script to the batch queueing system\n\n```\n./run_cctm_Bench_2018_12NE3_cb6r5_m3dry_ddm.csh\n```\n\nOR (If using SLRUM)\n\n```\nsbatch run_cctm_Bench_2018_12NE3_cb6r5_m3dry_ddm.csh\n```\n\n### Step 13: Verify that the run was successful\n - look for the output directory\n \n ```\n cd ../../data/2018_12NE3_BENCH/output_CCTM_v55_DDM3D_gcc_Bench_2018_12NE3_cb6r5_ae7_aq_m3dry\n ```\n If the run was successful you will see the following output\n \n ```\n tail ./LOGS/CTM_LOG_000.v55_DDM3D_gcc_Bench_2018_12NE3_cracmm2_20180702\n ```\n |>--- PROGRAM COMPLETED SUCCESSFULLY ---<|\n\n### Step 14: Compare output with the 2 day benchmark outputs provided on the CMAS Center AWS Open Data Program\n\nNote, the following DDM-3D output files are generated in addition to the standard CMAQ output files.\n\n```\n CCTM_SENWDEP_v55_DDM3D_gcc_Bench_2018_12NE3_cb6r5_ae7_aq_m3dry_20180701.nc\n CCTM_SENDDEP_v55_DDM3D_gcc_Bench_2018_12NE3_cb6r5_ae7_aq_m3dry_20180701.nc\n CCTM_SENGRID_v55_DDM3D_gcc_Bench_2018_12NE3_cb6r5_ae7_aq_m3dry_20180701.nc\n```\n\n### Step 15: Compare sensitivities\n\nFirst order sensitivities should not be larger than bulk, second order should not be larger than first order.\n" }, { "path": "DOCS/Users_Guide/Tutorials/CMAQ_UG_tutorial_HCMAQ_IC_BC.md", "content": "## CMAQ Tutorial ##\n### Create Initial and Boundary Conditions from Seasonal or Daily Average Hemispheric CMAQ Output ###\nPurpose: This tutorial will step the user through the process of creating initial and boundary conditions from seasonal or daily average hemispheric CMAQ output files distributed through the CMAS Data Warehouse. It assumes that the user already generated MCIP files for their target modeling domain.\n\nDownload seasonal average H-CMAQ output: https://drive.google.com/file/d/15Vt6f5WuyN8RiLRjTlKeQUHjYbZ6QCrA/view?usp=sharing\n\nDownload monthly files with daily average H-CMAQ output: https://drive.google.com/drive/folders/1A1ZzJE1t7OgwSezQNvy3rt9aATnXA0k2\n\n\n------------\n\n\n### STEP 1: Obtain the seasonal or daily average hemispheric CMAQ output files from the CMAS data warehouse\n\n**Seasonal average hemispheric CMAQ output**\n\nEPA distributes a file containing seasonal average 3D species concentrations from a hemispheric CMAQ simulation performed for 2016 over the northern hemisphere. These simulations were performed with a pre-release version of CMAQv5.3 using the following configuration: \n\n- Model version: CMAQv5.3 beta2 (February 2018), including full halogen and DMS chemistry \n- Grid spacing: 108 x 108 km on a polar stereographic grid covering the northern hemisphere \n- Vertical layers: 44 \n- Meteorological fields: WRF3.8 \n- Chemical mechanism: CB6R3M_AE7_KMTBR \n- Dry Deposition: M3DRY \n\nThis file is named CCTM_CONC_v53beta2_intel17.0_HEMIS_cb6r3m_ae7_kmtbr_m3dry_2016_quarterly_av.nc and can be downloaded here\n\nhttps://drive.google.com/file/d/15Vt6f5WuyN8RiLRjTlKeQUHjYbZ6QCrA/view?usp=sharing\n\n**Daily average hemispheric CMAQ output**\n\nEPA distributes a series of monthly files containing daily average 3D species concentrations from a hemispheric CMAQ simulation performed for 2002 - 2019 over the northern hemisphere as part of the EPA's Air Quality Time Series (EQUATES) Project. These simulations were performed with a modified version of CMAQv5.3.2 using the following configuration: \n\n- Model version: CMAQv5.3.2 with modifications to halogen chemistry and O3-PV scaling \n- Grid spacing: 108 x 108 km on a polar stereographic grid covering the northern hemisphere \n- Vertical layers: 44 \n- Meteorological fields: WRF4.1.1 \n- Chemical mechanism: CB6R3M_AE7_KMTBR \n- Dry Deposition: M3DRY \n\nThese files are named CCTM_CONC_v532_intel18.0_CMAQv53_TS_108NHEMI_${YYYY}${MM}_dailyav.nc and can be downloaded here https://drive.google.com/drive/folders/1A1ZzJE1t7OgwSezQNvy3rt9aATnXA0k2\n\nMetadata and DOI for EQUATES data: https://doi.org/10.15139/S3/F2KJSK\n\n### STEP 2 (optional): Time shift the downloaded seasonal or daily average hemispheric CMAQ output files \n\nIf the time period for which initial and boundary conditions are to be generated does not fall between October 16, 2015 12:00 GMT and January 16, 2017 0:00 GMT when using the seasonal average file or between January 1, 2002 00:00 GMT and December 31, 2019 00:00 GMT when using the daily average files, the time stamps in the downloaded file(s) need to be adjusted to encompass the desired time period. This can be accomplished using a tool like `m3tshift` that is part of the `m3tools` utilities released with [I/O API](https://www.cmascenter.org/ioapi/). \n\nThe seasonal average concentration file contains six-time stamps (10/16/2015 12:00, 1/16/2016 0:00, 4/16/2016 12:00, 7/17/2016 0:00, 10/16/2016 12:00, and 1/16/2017 0:00) that represent fall, winter, spring, summer, fall, and winter seasonal average values, respectively. Fall was defined as September 1 - November 30, 2016, winter was defined as January 1 - February 29 and December 1 - December 31, 2016, spring was defined as March 1 - May 31, 2016, and summer was defined as June 1- August 31, 2016. Note that the concentration values associated with the first-time stamp are identical to those associated with the fifth time stamp since both represent fall, and the concentration values associated with the second time stamp are identical to those associated with the sixth time stamp since both represent winter.\n\nThe monthly files with daily average concentrations contain daily (i.e. 24:00 hour) time stamps from 00:00 GMT on the first day of the month to 00:00 GMT on the first day of the following month. For example, the file `CCTM_CONC_v532_intel18.0_CMAQv53_TS_108NHEMI_201006_dailyav.nc` contains 31 time stamps from 6/1/2010 00:00 GMT to 7/1/2010 00:00 GMT with a time step of 24:00 hours. Note that the file for December 2019 only contains 31 time stamps, i.e. it does not contain values for 1/1/2020 00:00 GMT.\n\n\nA sample script using `m3tshift` to shift all of the six-time stamps from the seasonal average concentration file back by two years to support the generation of initial and boundary conditions with ICON and BCON for a modeling period between October 16, 2013 12:00 GMT and January 17, 2015 0:00 GMT is shown below. Analogous scripts could be created to shift the time stamps in one or more of the monthly files with daily average concentrations to the desired time period outside the range covered by these files.\n\n```\n#!/bin/csh -f\n\nset EXEC = /path/to/m3tshift\n\n#> Year to be entirely encompassed by the time stamps in the time-shifted output file\nset TARGET_YEAR = 2014\n\n#> Path to the seasonal average H-CMAQ file downloaded from the CMAS data warehouse\n#> This path will also be used to store the time-shifted output file\nset DATADIR = /path/to/downloaded_data\n\n#> Name of the seasonal average H-CMAQ file downloaded from the CMAS data warehouse\nset AV_CONC_INFILE = CCTM_CONC_v53beta2_intel17.0_HEMIS_cb6r3m_ae7_kmtbr_m3dry_2016_quarterly_av.nc\n\n#> Name of the time-shifted seasonal average H-CMAQ file \nset AV_CONC_OUTFILE = CCTM_CONC_v53beta2_intel17.0_HEMIS_cb6r3m_ae7_kmtbr_m3dry_${TARGET_YEAR}_quarterly_av.nc\n\nsetenv INFILE ${DATADIR}/${AV_CONC_INFILE}\nsetenv OUTFILE ${DATADIR}/${AV_CONC_OUTFILE}\n\n#> Invoke m3shift to shift the time stamps to the target year\n#> Note that the first time stamp represents the fall of the previous year\n\n@ TARGET_YEAR = ${TARGET_YEAR} - 1\n\n${EXEC} << EOF\nINFILE\n2015289\n120000\n${TARGET_YEAR}289\n120000\n21960000\n131760000\nOUTFILE\nEOF\n```\n\n### STEP 3: (optional): Map to a different chemical mechanism \n\nIf a chemical mechanism other than cb6r3_ae7_aq, cb6r5_ae7_aq, cb6r5_ae7_aqkmt2, or cb6r5m_ae7_aq will be used for the regional-scale CMAQ simulations, the species in the downloaded file need to be mapped to that other chemical mechanism. An example script for using the `combine` program to map from cb6r3m_ae7_kmtbr to racm_ae6_aq, racm2_ae6_aq, saprc07tc_ae6_aq, saprc07tic_ae7i_aq, craccm1_aq, or craccm2 is provided in a directory alongside the BCON and ICON [source code][link_1]. Species definition files used for the mechanism mapping are also provided in that directory.\n\n### STEP 4: Compile the ICON and BCON executables\n\nTo compile the ICON and BCON executables, run the following commands from the CMAQ home directory: \n\n```\ncd $CMAQ_HOME/PREP/icon/scripts\n./bldit_icon.csh [compiler] [version] |& tee build_icon.log\n```\n\n```\ncd $CMAQ_HOME/PREP/bcon/scripts\n./bldit_bcon.csh [compiler] [version] |& tee build_bcon.log\n```\n\n### STEP 5: Run ICON to create initial conditions\n\nThe run script below uses the [`ICON`][link_2] program to create initial conditions for the user's target domain based on the seasonal average hemispheric CMAQ output obtained in Step 1, optionally time-shifted in Step 2, and optionally mapped to a different mechanism in Step 3. The same script can be used for the monthly files with daily average hemispheric CMAQ output by changing the CTM_CONC_1 and MET_CRO_3D_CRS environment variables to use one of those files instead of the file with the seasonal average output. By setting ICTYPE to regrid, the run script invokes ICON in _regrid_ mode because initial conditions are derived from a CONC file. In the example below, the settings for APPL, GRID_NAME, GRIDDESC, MET_CRO_3D_FIN, and DATE reflect the CMAQ Southeast benchmark case and will need to be modified by the user to point to the corresponding files for their domain and reflect the intended simulation start date. The environment variables CTM_CONC_1 and MET_CRO_3D_CRS should both point to the full path of the file downloaded in Step 1 and optionally time-shifted in Step 2 and/or species-mapped in Step 3.\n\n```\n#!/bin/csh -f\n\n# ======================= ICONv5.3 Run Script ========================\n# Usage: run.icon.csh >&! icon_v53.log & \n#\n# To report problems or request help with this script/program: \n# http://www.cmascenter.org\n# ==================================================================== \n\n# ==================================================================\n#> Runtime Environment Options\n# ==================================================================\n\n#> Choose compiler and set up CMAQ environment with correct \n#> libraries using config.cmaq. Options: intel | gcc | pgi\n setenv compiler intel \n\n#> Source the config_cmaq file to set the run environment\n pushd ../../../\n source ./config_cmaq.csh $compiler\n popd\n\n#> Check that CMAQ_DATA is set:\n if ( ! -e $CMAQ_DATA ) then\n echo \" $CMAQ_DATA path does not exist\"\n exit 1\n endif\n echo \" \"; echo \" Input data path, CMAQ_DATA set to $CMAQ_DATA\"; echo \" \"\n\n#> Set General Parameters for Configuring the Simulation\n set VRSN = v53 #> Code Version\n set APPL = SE53BENCH #> Application Name\n set ICTYPE = regrid #> Initial conditions type [profile|regrid]\n\n#> Set the working directory:\n set BLD = ${CMAQ_HOME}/PREP/icon/scripts/BLD_ICON_${VRSN}_${compilerString}\n set EXEC = ICON_${VRSN}.exe \n cat $BLD/ICON_${VRSN}.cfg; echo \" \"; set echo\n\n#> Horizontal grid definition \n setenv GRID_NAME SE53BENCH #> check GRIDDESC file for GRID_NAME options\n#setenv GRIDDESC ${CMAQ_DATA}/$APPL/met/mcip/GRIDDESC #> grid description file \n setenv GRIDDESC ${CMAQ_DATA}/SE53BENCH/met/mcip/GRIDDESC\n setenv IOAPI_ISPH 20 #> GCTP spheroid, use 20 for WRF-based modeling\n\n#> I/O Controls\n setenv IOAPI_LOG_WRITE F #> turn on excess WRITE3 logging [ options: T | F ]\n setenv IOAPI_OFFSET_64 YES #> support large timestep records (>2GB/timestep record) [ options: YES | NO ]\n setenv EXECUTION_ID $EXEC #> define the model execution id\n\n# =====================================================================\n# ICON Configuration Options\n#\n# ICON can be run in one of two modes: \n# 1) use default profile inputs (IC = profile)\n# 2) regrids CMAQ CTM concentration files (IC = regrid) \n# =====================================================================\n\n setenv ICON_TYPE ` echo $ICTYPE | tr \"[A-Z]\" \"[a-z]\" ` \n\n# =====================================================================\n#> Input/Output Directories\n# =====================================================================\n\n set OUTDIR = $CMAQ_HOME/data/icon #> output file directory\n\n# =====================================================================\n#> Input Files\n# \n# Profile Mode (IC = profile)\n# IC_PROFILE = static/default IC profiles \n# MET_CRO_3D_FIN = the MET_CRO_3D met file for the target domain \n# Regrid mode (IC = regrid) (includes nested domains, windowed domains,\n# or general regridded domains)\n# CTM_CONC_1 = the CTM concentration file for the coarse domain \n# MET_CRO_3D_CRS = the MET_CRO_3D met file for the coarse domain\n# MET_CRO_3D_FIN = the MET_CRO_3D met file for the target nested domain \n# \n# NOTE: SDATE (yyyyddd) and STIME (hhmmss) are only relevant to the\n# regrid mode and if they are not set, these variables will \n# be set from the input MET_CRO_3D_FIN file\n# =====================================================================\n#> Output File\n# INIT_CONC_1 = gridded IC file for target domain\n# =====================================================================\n\n if ( $ICON_TYPE == profile ) then\n setenv IC_PROFILE $BLD/avprofile_cb6r3m_ae7_kmtbr_hemi2016_v53beta2_m3dry_col051_row068.csv\n setenv MET_CRO_3D_FIN ${CMAQ_DATA}/SE53BENCH/met/mcip/METCRO3D_160701.nc\n setenv INIT_CONC_1 \"$OUTDIR/ICON_${VRSN}_${APPL}_${ICON_TYPE} -v\"\n endif\n \n if ( $ICON_TYPE == regrid ) then\n setenv CTM_CONC_1 ${DATADIR}/CCTM_CONC_v53beta2_intel17.0_HEMIS_cb6r3m_ae7_kmtbr_m3dry_2016_quarterly_av.nc\n setenv MET_CRO_3D_CRS ${DATADIR}/CCTM_CONC_v53beta2_intel17.0_HEMIS_cb6r3m_ae7_kmtbr_m3dry_2016_quarterly_av.nc\n setenv MET_CRO_3D_FIN ${CMAQ_DATA}/SE53BENCH/met/mcip/METCRO3D_160701.nc\n set DATE = `date -ud \"2016-07-01\" +%Y%j` #> Convert YYYY-MM-DD to YYYYJJJ\n# setenv SDATE ${DATE}\n# setenv STIME 000000\n setenv INIT_CONC_1 \"$OUTDIR/ICON_${VRSN}_${APPL}_${ICON_TYPE}_${DATE} -v\"\n endif\n\n \n#>- - - - - - - - - - - - - - - - - - - - - - - - - - - - - -\n\n if ( ! -d \"$OUTDIR\" ) mkdir -p $OUTDIR\n\n ls -l $BLD/$EXEC; size $BLD/$EXEC\n unlimit\n limit\n\n#> Executable call:\n time $BLD/$EXEC\n\n exit() \n ```\n \n### STEP 6: Run BCON to create boundary conditions\n\nThe run script below uses the [`BCON`][link_3] program to create boundary conditions for the user's target domain based on the seasonal average hemispheric CMAQ output obtained in Step 1, optionally time-shifted in Step 2, and optionally mapped to a different mechanism in Step 3. The same script can be used for the monthly files with daily average hemispheric CMAQ output by changing the CTM_CONC_1 and MET_CRO_3D_CRS environment variables to use one of those files instead of the file with the seasonal average output. By setting BCTYPE to regrid, the run script invokes BCON in _regrid_ mode because boundary conditions are derived from a CONC file. In the example below, the settings for APPL, GRID_NAME, GRIDDESC, MET_CRO_3D_FIN, and DATE reflect the CMAQ Southeast benchmark case and will need to be modified by the user to point to the corresponding files for their domain and reflect the intended simulation start date. The environment variables CTM_CONC_1 and MET_CRO_3D_CRS should both point to the full path of the file downloaded in Step 1 and optionally time-shifted in Step 2 and/or species-mapped in Step 3.\n\n```\n#!/bin/csh -f\n\n# ======================= BCONv5.3 Run Script ======================== \n# Usage: run.bcon.csh >&! bcon_v53.log & \n#\n# To report problems or request help with this script/program: \n# http://www.cmascenter.org\n# ==================================================================== \n\n# ==================================================================\n#> Runtime Environment Options\n# ==================================================================\n\n#> Choose compiler and set up CMAQ environment with correct \n#> libraries using config.cmaq. Options: intel | gcc | pgi\n setenv compiler intel \n\n#> Source the config_cmaq file to set the run environment\n pushd ../../../\n source ./config_cmaq.csh $compiler\n popd\n\n#> Check that CMAQ_DATA is set:\n if ( ! -e $CMAQ_DATA ) then\n echo \" $CMAQ_DATA path does not exist\"\n exit 1\n endif\n echo \" \"; echo \" Input data path, CMAQ_DATA set to $CMAQ_DATA\"; echo \" \"\n\n#> Set General Parameters for Configuring the Simulation\n set VRSN = v53 #> Code Version\n set APPL = SE53BENCH #> Application Name\n set BCTYPE = regrid #> Boundary condition type [profile|regrid]\n\n#> Set the build directory:\n set BLD = ${CMAQ_HOME}/PREP/bcon/scripts/BLD_BCON_${VRSN}_${compilerString}\n set EXEC = BCON_${VRSN}.exe \n cat $BLD/BCON_${VRSN}.cfg; echo \" \"; set echo\n\n#> Horizontal grid definition \n setenv GRID_NAME SE53BENCH #> check GRIDDESC file for GRID_NAME options\n#setenv GRIDDESC $CMAQ_DATA/$APPL/met/mcip/GRIDDESC #> grid description file \n setenv GRIDDESC /SE53BENCH/met/mcip/GRIDDESC\n setenv IOAPI_ISPH 20 #> GCTP spheroid, use 20 for WRF-based modeling\n\n#> I/O Controls\n setenv IOAPI_LOG_WRITE F #> turn on excess WRITE3 logging [ options: T | F ]\n setenv IOAPI_OFFSET_64 YES #> support large timestep records (>2GB/timestep record) [ options: YES | NO ]\n setenv EXECUTION_ID $EXEC #> define the model execution id\n\n# =====================================================================\n#> BCON Configuration Options\n#\n# BCON can be run in one of two modes: \n# 1) use default profile inputs (BC type = profile)\n# 2) regrids CMAQ CTM concentration files (BC = regrid) \n# =====================================================================\n\n setenv BCON_TYPE ` echo $BCTYPE | tr \"[A-Z]\" \"[a-z]\" `\n\n# =====================================================================\n#> Input/Output Directories\n# =====================================================================\n\n set OUTDIR = $CMAQ_HOME/data/bcon #> output file directory\n\n# =====================================================================\n#> Input Files\n# \n# Profile mode (BC type = profile)\n# BC_PROFILE = static/default BC profiles \n# MET_BDY_3D_FIN = the MET_BDY_3D met file for the target domain \n# Regrid mode (BC = regrid) (includes nested domains, windowed domains,\n# or general regridded domains)\n# CTM_CONC_1 = the CTM concentration file for the coarse domain \n# MET_CRO_3D_CRS = the MET_CRO_3D met file for the coarse domain\n# MET_BDY_3D_FIN = the MET_BDY_3D met file for the target nested domain\n# \n# NOTE: SDATE (yyyyddd), STIME (hhmmss) and RUNLEN (hhmmss) are only \n# relevant to the regrid mode and if they are not set, \n# these variables will be set from the input MET_BDY_3D_FIN file\n# =====================================================================\n#> Output File\n# BNDY_CONC_1 = gridded BC file for target domain\n# =====================================================================\n \n if ( $BCON_TYPE == profile ) then\n setenv BC_PROFILE $BLD/avprofile_cb6r3m_ae7_kmtbr_hemi2016_v53beta2_m3dry_col051_row068.csv\n setenv MET_BDY_3D_FIN ${CMAQ_DATA}/SE53BENCH/met/mcip/METBDY3D_160701.nc\n setenv BNDY_CONC_1 \"$OUTDIR/BCON_${VRSN}_${APPL}_${BCON_TYPE} -v\"\n endif\n\n if ( $BCON_TYPE == regrid ) then \n setenv CTM_CONC_1 ${DATADIR}/CCTM_CONC_v53beta2_intel17.0_HEMIS_cb6r3m_ae7_kmtbr_m3dry_2016_quarterly_av.nc\n setenv MET_CRO_3D_CRS ${DATADIR}/CCTM_CONC_v53beta2_intel17.0_HEMIS_cb6r3m_ae7_kmtbr_m3dry_2016_quarterly_av.nc\n setenv MET_BDY_3D_FIN ${CMAQ_DATA}/SE53BENCH/met/mcip/METBDY3D_160701.nc\n set DATE = `date -ud \"2016-07-01\" +%Y%j` #> Convert YYYY-MM-DD to YYYYJJJ\n# setenv SDATE ${DATE}\n# setenv STIME 000000\n# setenv RUNLEN 240000\n setenv BNDY_CONC_1 \"$OUTDIR/BCON_${VRSN}_${APPL}_${BCON_TYPE}_${DATE} -v\"\n endif\n\n\n# =====================================================================\n#> Output File\n# =====================================================================\n \n#>- - - - - - - - - - - - - - - - - - - - - - - - - - - - - -\n\n if ( ! -d \"$OUTDIR\" ) mkdir -p $OUTDIR\n\n ls -l $BLD/$EXEC; size $BLD/$EXEC\n unlimit\n limit\n\n#> Executable call:\n time $BLD/$EXEC\n\n exit() \n```\n\n\n \n\n[link_1]: ../../../PREP/bcon/map2mech/\n[link_2]: ../../../PREP/icon/\n[link_3]: ../../../PREP/bcon\n\n \n\n[link_1]: https://github.com/USEPA/CMAQ/blob/main/PREP/bcon/map2mech/\n[link_2]: https://github.com/USEPA/CMAQ/blob/main/PREP/icon/ \n[link_3]: https://github.com/USEPA/CMAQ/blob/main/PREP/bcon/" }, { "path": "DOCS/Users_Guide/Tutorials/CMAQ_UG_tutorial_ISAM.md", "content": "## CMAQ-ISAM Benchmark Tutorial ## \n\nProcedure to build and run the CMAQ-ISAM model using gnu compiler for the cb6r5_ae7_aq mechanism with the m3dry dry deposition scheme:\n\n### Step 1: Download and run the CMAQv5.5 benchmark case (without ISAM) to confirm that your model run is consistent with the provided benchmark output.\n- [CMAQ Benchmark Tutorial](CMAQ_UG_tutorial_benchmark.md)\n\nIf you encounter any errors, try running the model in debug mode and refer to the CMAS User Forum to determine if any issues have been reported.\n\nhttps://forum.cmascenter.org/\n\n### Step 2: Read the User Guide Chapter on Integrated Source Apportionment Method.\n- [CMAQ User Guide Chapter on ISAM](../CMAQ_UG_ch11_ISAM.md)\n\nNote: This benchmark is intended to demonstrate how to build and run CMAQ-ISAM with the provided input files\n\nThe following isam control file is provided in the CCTM/scripts directory when you obtain the CMAQv5.5 code from github (step 5 below):\n\n```\ncat isam_control.2018_12NE3.txt\n```\n\nThis file contains the following tag classes\n\n```\nTAG NAME |EGU\nREGION(S) |EVERYWHERE\nEMIS STREAM(S) |PT_EGU\n\nTAG NAME |BIO\nREGION(S) |NY\nEMIS STREAM(S) |BIOG\n```\n\nThe following gridmask file is provided with the benchmark inputs in the 2018_12NE3_BENCH/2018_12NE3 directory (see step 11 below)\n\n```\nGRIDMASK_STATES_12NE3.nc\n```\n\nNote, all states are listed in the variable list in the header of the file, but the data only contains valid entries for the states in the 12NE3 domain. \n\nThe instructions require the user to edit the DESID emissions control namelist file and the DESID chemical control namelist file in the BLD directory. If you want to use emission scaling (independently from ISAM or DDM3D) you will also need to edit these files. (see step 10 below).\n\n```\nCMAQ_Control_DESID.nml\nCMAQ_Control_DESID_${MECH}.nml\n```\n\n\n### Step 3 (optional): choose your compiler, and load it using the module command if it is available on your system\n\n```\nmodule avail\n```\n\n```\nmodule load openmpi_4.0.1/gcc_9.1.0 \n```\n\n### Step 4 (optional): Install I/O API (note, this assumes you have already installed netCDF C and Fortran Libraries)\n\nI/O APIv3.2 supports up to MXFILE3=256 open files, each with up to MXVARS3=2048. ISAM applications configured to calculate source attribution of a large number of sources may exceed this upper limit of model variables, leading to a model crash. To avoid this issue, users may use I/O API version 3.2 \"large\" that increases MXFILE3 to 512 and MXVARS3 to 16384. Instructions to build this version are found in Chapter 3. Note, using this ioapi-large version is NOT REQUIRED for the CMAQ-ISAM Benchmark Case. If a user needs to use these larger setting for MXFILE3 and MXVAR3 to support their application, the memory requirements will be increased. If needed, this version is available as a zip file from the following address:\n\nhttps://www.cmascenter.org/ioapi/download/ioapi-3.2-large-20200828.tar.gz\n\nOtherwise, use the I/O API version available here:\nhttps://www.cmascenter.org/ioapi/download/ioapi-3.2-20200828.tar.gz\n\n### Step 5: Install CMAQ with ISAM\n\n```\ngit clone -b main https://github.com/USEPA/CMAQ.git CMAQ_REPO\n```\n\nBuild and run in a user-specified directory outside of the repository\n\nIn the top level of CMAQ_REPO, the bldit_project.csh script will automatically replicate the CMAQ folder structure and copy every build and run script out of the repository so that you may modify them freely without version control.\n\nEdit bldit_project.csh, to modify the variable $CMAQ_HOME to identify the folder that you would like to install the CMAQ package under. For example:\n\n```\nset CMAQ_HOME = [your_install_path]/CMAQ_v5.5\n```\n\nNow execute the script.\n\n```\n./bldit_project.csh\n```\n\nChange directories to the CMAQ_HOME directory\n\n```\ncd [your_install_path]/CMAQ_v5.5\n```\n\n\n### Step 6. Edit the config_cmaq.csh to specify the paths of the ioapi and netCDF libraries\n\n### Step 7: Modify the bldit_cctm.csh to activate ISAM\n\nChange directory to CCTM/scripts\n\n```\ncd CCTM/scripts\ncp bldit_cctm.csh bldit_cctm_isam.csh\n```\n\nUncomment the following option to compile CCTM with ISAM (remove the # before set ISAM_CCTM):\n\n```\n#> Integrated Source Apportionment Method (ISAM)\nset ISAM_CCTM #> uncomment to compile CCTM with ISAM activated\n```\n### Step 8: Modify the bldit_cctm.csh to specify the cb6r5_ae7_aq mechanism and the m3dry dry deposition scheme and update the BLD directory name.\n\n```\nset DepMod = m3dry #> dry deposition scheme (m3dry or stage)\nsetenv Mechanism cb6r5_ae7_aq #> chemical mechanism (see $CMAQ_MODEL/CCTM/src/MECHS) \n```\n\nVerify that the bldit_cctm_isam.csh script contains the following lines: (the mechanism and the dry deposition scheme have been added to the BLD directory name):\n\n#> Set and create the \"BLD\" directory for checking out and compiling \n#> source code. Move current directory to that build directory.\n\n```\n if ( $?Debug_CCTM ) then\n set Bld = $CMAQ_HOME/CCTM/scripts/BLD_CCTM_${VRSN}_${compilerString}_${Mechanism}_${DepMod}_debug\n else\n set Bld = $CMAQ_HOME/CCTM/scripts/BLD_CCTM_${VRSN}_${compilerString}_${Mechanism}_${DepMod}\n endif\n```\n\n### Step 9: Run the bldit_cctm_isam.csh script\n\n```\n./bldit_cctm_isam.csh gcc |& tee bldit_cctm_isam.log\n```\n\n### Step 10: Edit the Emission Control Namelist to recognize the CMAQ_REGIONS file \n\nChange directories to the build directory\n```\ncd BLD_CCTM_v55_ISAM_gcc_cb6r5_ae7_aq_m3dry\n```\n\nedit the DESID emissions namelist file\n\n```\ngedit CMAQ_Control_DESID.nml\n```\n\nUncomment the line that contains ISAM_REGIONS as the File Label\n\n```\n&Desid_RegionDef\n Desid_Reg_nml =\n ! Region Label | File_Label | Variable on File\n 'EVERYWHERE' ,'N/A' ,'N/A',\n ! 'NY' ,'CMAQ_MASKS', 'NY',\n ! 'WATER' ,'CMAQ_MASKS' ,'OPEN',\n ! 'ALL' ,'CMAQ_MASKS' ,'ALL',\n 'ALL' ,'ISAM_REGIONS','ALL',\n/\n```\n\n\n### Step 11: Example of emissions scaling (Reduce the PT_EGU emissions in NY by 25%) (Optional step, described here, but not used)\n\nedit the DESID chemical control namelist file, note please specify the mechanism or define the MECH environment variable.\n\n```\ngedit CMAQ_Control_DESID_${MECH}.nml\n```\n\nAdd the following line at the bottom of the the namelist file (before the /)\n\n```\n ! PT_EGU Emissions Scaling reduce PT_EGU emissions in NY by 25%. Note, to reduce the emissions by 25% we use DESID to multiply what had been 100% emissions by .75, so that the resulting emissions is reduced by 25%.\n 'NY' , 'PT_EGU' ,'All' ,'All' ,'All' ,.75 ,'UNIT','o',\n\n```\n\n### Step 12: Install the CMAQ-ISAM reference input and output benchmark data\n\nDownload the CMAQ two day reference input and output data from the [CMAS Center Data Warehouse Amazon Web Services S3 Bucket](https://cmaq-release-benchmark-data-for-easy-download.s3.amazonaws.com/index.html#v5_5/): CMAQv5.4_2018_12NE3_Benchmark_2Day_Input.tar.gz and output_CCTM_v55_ISAM_gcc_Bench_2018_12NE3_cracmm2_stage.tar.gz.\n\nDownload and copy the data to `$CMAQ_DATA`. Navigate to the `$CMAQ_DATA` directory, unzip and untar the two day benchmark input and output files:\n\n```\ncd $CMAQ_DATA\nwget https://cmaq-release-benchmark-data-for-easy-download.s3.amazonaws.com/v5_5/CMAQv5.4_2018_12NE3_Benchmark_2Day_Input.tar.gz\ntar xvzf CMAQv5.4_2018_12NE3_Benchmark_2Day_Input.tar.gz\nmkdir ref_output\ncd ref_output\nwget https://cmaq-release-benchmark-data-for-easy-download.s3.amazonaws.com/v5_5/output_CCTM_v55_ISAM_gcc_Bench_2018_12NE3_cb6r5_ae7_aq_m3dry.tar.gz\ntar xzvf output_CCTM_v55_ISAM_gcc_Bench_2018_12NE3_cb6r5_ae7_aq_m3dry.tar.gz\n```\n\nThe input files for the CMAQv5.4 ISAM benchmark case are the same as the benchmark inputs for the base model. Output source apportionment files associated with the sample isam_control.txt provided in this release package are included in the benchmark outputs for the base model.\n \n### Step 13: Edit the CMAQ-ISAM runscript\n\nNote: there is an example of the run script on the AWS S3 bucket.\n\n```\ncd CMAQ_v5.5/CCTM/scripts\nwget https://cmaq-release-benchmark-data-for-easy-download.s3.amazonaws.com/v5_5/ISAM_Benchmark/CCTM/scripts/run_cctm_Bench_2018_12NE3_cb6r5_m3dry_ISAM.csh\ncat run_cctm_Bench_2018_12NE3_cb6r5_m3dry_ISAM.csh\n```\n\nVerify the following settings in the run script for this ISAM benchmark.\n\nVerify the General Parameters for Configuring the Simulation\n\n```\n set VRSN = v55_ISAM\n set PROC = mpi #> serial or mpi\n set MECH = cb6r5_ae7_aq #> Mechanism ID\n set APPL = Bench_2018_12NE3_${MECH}_m3dry #> Application Name (e.g. Gridname)\n```\n\nVerify the Build directory to include the dry deposition mechanism in the name\n\n```\n#> Set the build directory (this is where the CMAQ executable\n#> is located by default).\n set BLD = ${CMAQ_HOME}/CCTM/scripts/BLD_CCTM_${VRSN}_${compilerString}_${MECH}_m3dry\n```\n\nVerify the input data directory\n\n```\n#> Set Working, Input, and Output Directories\n setenv WORKDIR ${CMAQ_HOME}/CCTM/scripts #> Working Directory. Where the runscript is.\n setenv OUTDIR ${CMAQ_DATA}/output_CCTM_${RUNID} #> Output Directory\n setenv INPDIR ${CMAQ_DATA}/CMAQv5.4_2018_12NE3_Benchmark_2Day_Input/2018_12NE3 #> Input Directory\n```\n\nVerify the start and end dates to match the input data for this benchmark.\n\n```\n#> Set Start and End Days for looping\n setenv NEW_START TRUE #> Set to FALSE for model restart\n set START_DATE = \"2018-07-01\" #> beginning date (July 1, 2016)\n set END_DATE = \"2018-07-02\" #> ending date (July 2, 2016)\n```\n\n\nVerify that ISAM is turned on and that the SA_IOLIST file and ISAM regions file definitions are uncommented.\n\n```\nsetenv CTM_ISAM Y\nsetenv SA_IOLIST ${WORKDIR}/isam_control.2018_12NE3.txt\nsetenv ISAM_REGIONS $INPDIR/GRIDMASK_STATES_12NE3.nc\n```\n\n \nRun or Submit the script to the batch queueing system\n\n```\n./run_cctm_Bench_2018_12NE3_cb6r5_m3dry_ISAM.csh\n```\n\nOR (If using SLRUM) edit the #SBATCH commands at the top of the script for your machine, then run using\n\n```\nsbatch run_cctm_Bench_2018_12NE3_cb6r5_m3dry_ISAM.csh\n```\n\n### Step 14: Verify that the run was successful\n - look for the output directory\n \n ```\n cd ../../data/output_CCTM_v55_ISAM_gcc_Bench_2018_12NE3_cb6r5_ae7_aq_m3dry\n ```\n If the run was successful you will see the following output\n \n ```\n tail ./LOGS/CTM_LOG_000.v55_ISAM_gcc_Bench_2018_12NE3_cb6r5_ae7_aq_m3dry_20180702\n ```\n |>--- PROGRAM COMPLETED SUCCESSFULLY ---<|\n\n### Step 15: Compare output with the 2 day benchmark outputs provided on the google drive\n\nThe following ISAM output files are generated in addition to the standard CMAQ output files. Note, the ACONC files created for the benchmark case without ISAM and this run will not be comparible if emission scaling is used (Step 11 - optional), but if emission scaling was not used, the files should be identical.\n\n```\nCCTM_SA_CONC_v55_ISAM_gcc_Bench_2018_12NE3_cb6r5_ae7_aq_m3dry_20180702.nc\nCCTM_SA_WETDEP_v55_ISAM_gcc_Bench_2018_12NE3_cb6r5_ae7_aq_m3dry_20180702.nc\nCCTM_SA_DRYDEP_v55_ISAM_gcc_Bench_2018_12NE3_cb6r5_ae7_aq_m3dry_20180702.nc\nCCTM_SA_ACONC_v55_ISAM_gcc_Bench_2018_12NE3_cb6r5_ae7_aq_m3dry_20180702.nc\nCCTM_SA_CGRID_v55_ISAM_gcc_Bench_2018_12NE3_cb6r5_ae7_aq_m3dry_20180702.nc\n```\n\n### Step 16: Compare the tagged species in `CCTM_SA_ACONC` output file to the species in `CCTM_ACONC` output file\n\n```\nncdump -h CCTM_SA_ACONC_v55_ISAM_gcc_Bench_2018_12NE3_cb6r5_ae7_aq_m3dry_20180701.nc | grep SO2_\n```\n\n\nThe following tagged species should add up to the total SO2 in the CONC file.\n\n```\n\tfloat SO2_EGU(TSTEP, LAY, ROW, COL) ;\n\t\tSO2_EGU:long_name = \"SO2_EGU \" ;\n\t\tSO2_EGU:units = \"ppmV \" ;\n\t\tSO2_EGU:var_desc = \"tracer conc. \" ;\n\tfloat SO2_BIO(TSTEP, LAY, ROW, COL) ;\n\t\tSO2_BIO:long_name = \"SO2_BIO \" ;\n\t\tSO2_BIO:units = \"ppmV \" ;\n\t\tSO2_BIO:var_desc = \"tracer conc. \" ;\n\tfloat SO2_BCO(TSTEP, LAY, ROW, COL) ;\n\t\tSO2_BCO:long_name = \"SO2_BCO \" ;\n\t\tSO2_BCO:units = \"ppmV \" ;\n\t\tSO2_BCO:var_desc = \"tracer conc. \" ;\n\tfloat SO2_OTH(TSTEP, LAY, ROW, COL) ;\n\t\tSO2_OTH:long_name = \"SO2_OTH \" ;\n\t\tSO2_OTH:units = \"ppmV \" ;\n\t\tSO2_OTH:var_desc = \"tracer conc. \" ;\n\tfloat SO2_ICO(TSTEP, LAY, ROW, COL) ;\n\t\tSO2_ICO:long_name = \"SO2_ICO \" ;\n\t\tSO2_ICO:units = \"ppmV \" ;\n\t\tSO2_ICO:var_desc = \"tracer conc. \n```\n\nThe sum of the tagged species in the SA_ACONC file is equal to the species in the ACONC file.\n\n```\nSO2_EGU[1] + SO2_BIO[1] + SO2_BCO[1] + SO2_OTH[1] + SO2_ICO[1] = SO2[2]\n\n[1] = SA_ACONC\n[2] = ACONC\n```\n\nBoth tagged species EGU and BIO contribute to the bulk concentration, therefore the sum of all tagged species including boundary conditions (BCO) and initial conditions (ICO) and other (all untagged emissions) (OTH)\n\n### Step 17: Obtain scripts and species definition files to post process CMAQ-ISAM \n\nNote: we will be running each post processing routine twice, once for the tagged species found in the SA_ACONC, SA_DRYDEP, and SA_WETDEP output files, and again for the untagged species found in ACONC and the DRYDEP, WETDEP files. This will allow us to confirm that the sum of the tagged species is equal to the untagged species.\n\nExample species definition file and combine run script are provided to help users post-process the CMAQ-ISAM output to aggregate output from the SA_ACONC, SA_DRYDEP, and SA_WETDEP files.\n\nDownload the run script and species definition files for this case from the AWS S3 Bucket.\n\n```\ncd CMAQ_v5.5/POST/combine/scripts\nwget https://cmaq-release-benchmark-data-for-easy-download.s3.amazonaws.com/v5_5/ISAM_Benchmark/POST/combine/scripts/run_combine_ISAM_aconc+dep_example_cb6r5_ae7_aq_12ne3_benchmark.csh\nwget https://cmaq-release-benchmark-data-for-easy-download.s3.amazonaws.com/v5_5/ISAM_Benchmark/POST/combine/scripts/run_combine_ISAM_sa_aconc+sa_dep_example_cb6r5_ae7_aq_12ne3_benchmark.csh\nwget https://cmaq-release-benchmark-data-for-easy-download.s3.amazonaws.com/v5_5/ISAM_Benchmark/POST/combine/scripts/SpecDef_ISAM_Conc_benchmark_cb6r5_ae7_aq.txt\nwget https://cmaq-release-benchmark-data-for-easy-download.s3.amazonaws.com/v5_5/ISAM_Benchmark/POST/combine/scripts/SpecDef_ISAM_Dep_benchmark_cb6r5_ae7_aq.txt\n```\n\nList the files after they have been downloaded\n\n```\nls -lrt\n```\n\nOutput\n\n```\nSpecDef_ISAM_Conc_benchmark_cb6r5_ae7_aq.txt\nSpecDef_ISAM_Dep_benchmark_cb6r5_ae7_aq.txt\nrun_combine_ISAM_sa_aconc+sa_dep_example_cb6r5_ae7_aq_12ne3_benchmark.csh\nrun_combine_ISAM_aconc+dep_example_cb6r5_ae7_aq_12ne3_benchmark.csh\n```\n\n\n### Step 18: Build and run combine\n\nBuild the combine executable\n\n```\ncd CMAQ_v5.5/POST/combine/scripts\n./bldit_combine.csh gcc |& tee ./bldit_combine.log\n```\n\nRun combine to create a file with all hours for the time period of your ISAM simulation for each tagged aggregate species in the SA_ACONC output file and for another file with all hours of the time period in your ISAM simulation for the SA_DRYDEP and SA_WETDEP output files.\n\n```\n./run_combine_ISAM_sa_aconc+sa_dep_example_cb6r5_ae7_aq_12ne3_benchmark.csh gcc |& tee ./run_combine_ISAM_sa_aconc+sa_dep_example_cb6r5_ae7_aq_12ne3_benchmark.log\n```\n\nRun combine to create a file with all hours for the time period of your ISAM simulation for each aggregate species in the ACONC output file and for another file with all hours of the time period in your ISAM simulation for the DRYDEP and WETDEP output files.\n\n```\n./run_combine_ISAM_aconc+dep_example_cb6r5_ae7_aq_12ne3_benchmark.csh |& tee ./run_combine_ISAM_aconc+dep_example_cb6r5_ae7_aq_12ne3_benchmark.log\n```\n\nExamine the output files\n\n```\nls -lrt ../../../data/output_CCTM_v55_ISAM_gcc_Bench_2018_12NE3_cb6r5_ae7_aq_m3dry/POST\n```\n\nYou should see that four output files were created:\n\n```\n-rw-rw-r-- 1 lizadams rc_cep-emc_psx 223856976 Sep 26 15:32 COMBINE_ACONC_v55_ISAM_gcc_Bench_2018_12NE3_cb6r5_ae7_aq_m3dry_201807.nc\n-rw-rw-r-- 1 lizadams rc_cep-emc_psx 223857340 Sep 26 15:33 COMBINE_DEP_v55_ISAM_gcc_Bench_2018_12NE3_cb6r5_ae7_aq_m3dry_201807.nc\n-rw-rw-r-- 1 lizadams rc_cep-emc_psx 393254448 Sep 26 15:33 COMBINE_SA_ACONC_v55_ISAM_gcc_Bench_2018_12NE3_cb6r5_ae7_aq_m3dry_201807.nc\n-rw-rw-r-- 1 lizadams rc_cep-emc_psx 526353656 Sep 26 15:34 COMBINE_SA_DEP_v55_ISAM_gcc_Bench_2018_12NE3_cb6r5_ae7_aq_m3dry_201807.nc\n```\n\n### Step 19: Review the species definition files for the ISAM run.\n\nThe species definition file calculates each of the tagged aggregate species. To see each tagged species definition for NOX, where NOX = NO + NO2, use the following grep command:.\n\n```\ngrep NOX_ SpecDef_ISAM_Conc_benchmark_cb6r5_ae7_aq.txt\n```\n\nOutput:\n\n```\nNOX_EGU ,ppbV ,1000.0*(NO_EGU[1] + NO2_EGU[1])\nNOX_BIO ,ppbV ,1000.0*(NO_BIO[1] + NO2_BIO[1])\nNOX_BCO ,ppbV ,1000.0*(NO_BCO[1] + NO2_BCO[1])\nNOX_ICO ,ppbV ,1000.0*(NO_ICO[1] + NO2_ICO[1])\nNOX_OTH ,ppbV ,1000.0*(NO_OTH[1] + NO2_OTH[1])\n```\n \n\n### Step 20: Build and run calc_tmetric to calculate the average of all tagged species, and the average of all species for your ISAM run.\n\n\nBuild the calc_tmetric executable\n\n```\ncd CMAQ_v5.5/POST/calc_tmetric/scripts\n./bldit_calc_tmetric.csh gcc |& tee ./bldit_calc_tmetric.log\n```\n\nDownload the run scripts for calc_tmetric for the ISAM run and copy them to the calc_tmetric/scripts directory..\n\n```\ncd CMAQ_v5.5/POST/calc_tmetric/scripts\nwget https://cmaq-release-benchmark-data-for-easy-download.s3.amazonaws.com/v5_5/ISAM_Benchmark/POST/calc_tmetric/scripts/run_calc_tmetric_ISAM_aconc.csh\nwget https://cmaq-release-benchmark-data-for-easy-download.s3.amazonaws.com/v5_5/ISAM_Benchmark/POST/calc_tmetric/scripts/run_calc_tmetric_ISAM_sa_aconc.csh\n```\n\nRun the calc_tmetric scripts\n\n```\n./run_calc_tmetric_ISAM_sa_aconc.csh gcc |& tee ./run_calc_tmetric_ISAM_sa_aconc.log\n./run_calc_tmetric_ISAM_aconc.csh gcc |& tee ./run_calc_tmetric_ISAM_aconc.log\n``` \n\n### Step 21: Build and run hr2day to calculate the daily average concentration for each tagged and aggregated species.\n\nBuild the hr2day executable\n\n```\ncd CMAQ_v5.5/POST/hr2day/scripts\n./bldit_hr2day.csh gcc |& tee ./bldit_hr2day.log\n```\n\nDownload the run scripts for hr2day for the ISAM run\n\n```\ncd CMAQ_v5.5/POST/hr2day/scripts\nwget https://cmaq-release-benchmark-data-for-easy-download.s3.amazonaws.com/v5_5/ISAM_Benchmark/POST/hr2day/scripts/run_hr2day_ISAM_aconc.csh\nwget https://cmaq-release-benchmark-data-for-easy-download.s3.amazonaws.com/v5_5/ISAM_Benchmark/POST/hr2day/scripts/run_hr2day_ISAM_sa_aconc.csh\n```\n\n\nRun hr2day for both the SA_ACONC and ACONC file\n\n```\n./run_hr2day_ISAM_sa_aconc.csh gcc |& tee ./run_hr2day_ISAM_sa_aconc.log\n./run_hr2day_ISAM_aconc.csh gcc |& tee ./run_hr2day_ISAM_aconc.log\n```\n\nNote, there are HR2DAY configuration options that were modified from the default settings, as this ISAM benchmark contains only two days of output, so it does not make sense to use the option to change from GMT time to local time, which is typically done to compare to observational data.\n\nThe output data is set to be saved under the ISAM output directory.\n\n```\ncd CMAQ_v5.5/data/output_CCTM_v55_ISAM_gcc_Bench_2018_12NE3_cb6r5_ae7_aq_m3dry/POST\nls -lrt\n```\n\nList of POST Output files:\n\n```\n-rw-rw-r-- 1 lizadams rc_cep-emc_psx 223856976 Sep 26 15:32 COMBINE_ACONC_v55_ISAM_gcc_Bench_2018_12NE3_cb6r5_ae7_aq_m3dry_201807.nc\n-rw-rw-r-- 1 lizadams rc_cep-emc_psx 223857340 Sep 26 15:33 COMBINE_DEP_v55_ISAM_gcc_Bench_2018_12NE3_cb6r5_ae7_aq_m3dry_201807.nc\n-rw-rw-r-- 1 lizadams rc_cep-emc_psx 393254448 Sep 26 15:33 COMBINE_SA_ACONC_v55_ISAM_gcc_Bench_2018_12NE3_cb6r5_ae7_aq_m3dry_201807.nc\n-rw-rw-r-- 1 lizadams rc_cep-emc_psx 526353656 Sep 26 15:34 COMBINE_SA_DEP_v55_ISAM_gcc_Bench_2018_12NE3_cb6r5_ae7_aq_m3dry_201807.nc\n-rw-rw-r-- 1 lizadams rc_cep-emc_psx 8251888 Sep 27 14:07 AVG_COMBINE_SA_ACONC_v55_ISAM_gcc_Bench_2018_12NE3_cb6r5_ae7_aq_m3dry.nc\n-rw-rw-r-- 1 lizadams rc_cep-emc_psx 432268 Sep 27 14:13 dailyavg_SA_ACONC_v55_ISAM_gcc_Bench_2018_12NE3_cb6r5_ae7_aq_m3dry_201807.nc\n-rw-rw-r-- 1 lizadams rc_cep-emc_psx 95208 Sep 27 14:14 dailyavg_ACONC_v55_ISAM_gcc_Bench_2018_12NE3_cb6r5_ae7_aq_m3dry.nc\n```\n\nVERDI can be used to compare the aggregated species in ACONC to the sum of the tagged aggregated species in the SA_ACONC file.\n\n```\ncd CMAQ_v5.5/data/output_CCTM_v55_ISAM_gcc_Bench_2018_12NE3_cb6r5_ae7_aq_m3dry/POST\nverdi -f $cwd/COMBINE_ACONC_v55_ISAM_gcc_Bench_2018_12NE3_cb6r5_ae7_aq_m3dry_201807.nc -f $cwd/COMBINE_SA_ACONC_v55_ISAM_gcc_Bench_2018_12NE3_cb6r5_ae7_aq_m3dry_201807.nc -s \"NOX[1]\" -g tile -s \"NOX_EGU[2]+NOX_BIO[2]+NOX_BCO[2]+NOX_ICO[2]+NOX_OTH[2]\" -g tile \n```\nNote, the min and max of the two tile plots should be identical. The difference can also be calculated to verify that they are only different by numerical roundoff.\n\n```\nverdi -f $cwd/COMBINE_ACONC_v55_ISAM_gcc_Bench_2018_12NE3_cb6r5_ae7_aq_m3dry_201807.nc -f $cwd/COMBINE_SA_ACONC_v55_ISAM_gcc_Bench_2018_12NE3_cb6r5_ae7_aq_m3dry_201807.nc -s \"NOX[1] - (NOX_EGU[2]+NOX_BIO[2]+NOX_BCO[2]+NOX_ICO[2]+NOX_OTH[2])\" -g tile\n```\n\nVERDI can also be used to confirm that the average concentration of the aggregated species is equal to the sum of the tagged aggregated species, please note that this average is taken over two days, as the ISAM benchmark ran for two days, and two days were available in the combine output file.\n\n```\nverdi -f $cwd/AVG_COMBINE_ACONC_v55_ISAM_gcc_Bench_2018_12NE3_cb6r5_ae7_aq_m3dry.nc -f $cwd/AVG_COMBINE_SA_ACONC_v55_ISAM_gcc_Bench_2018_12NE3_cb6r5_ae7_aq_m3dry.nc -s \"NOX[1]\" -g tile -s \"NOX_EGU_AVG[2]+NOX_BIO_AVG[2]+NOX_BCO_AVG[2]+NOX_ICO_AVG[2]+NOX_OTH_AVG[2]\" -g tile\n```\n\nVERDI can also be used to confirm that the daily average concentration of the aggregated species is equal to the sum of the tagged aggregated species. Note, that there are two timesteps in each daily average file, one containing the average for day 1 and one containing the average for day 2\n\n```\nverdi -f $cwd/dailyavg_ACONC_v55_ISAM_gcc_Bench_2018_12NE3_cb6r5_ae7_aq_m3dry_201807.nc -f $cwd/dailyavg_SA_ACONC_v55_ISAM_gcc_Bench_2018_12NE3_cb6r5_ae7_aq_m3dry_201807.nc -s \"NOX[1]\" -g tile -s \"NOX_EGU[2]+NOX_BIO[2]+NOX_BCO[2]+NOX_ICO[2]+NOX_OTH[2]\" -g tile \n```\n\n\n\n\n\n\n\n" }, { "path": "DOCS/Users_Guide/Tutorials/CMAQ_UG_tutorial_MPAS-CMAQ_Benchmark_gcc.md", "content": "# MPAS-CMAQ Benchmarking Tutorial # \n\n**Purpose**: This guide describes how to install and run the MPAS-CMAQ test case, which serves two different purposes. The first being to familiarize the user with the MPAS-CMAQ suite of programs and how they work together, and secondly to verify the installation of the software on your system via benchmarking. \n\nUsers are highly encouraged to work through the [MPAS-CMAQ User Guide][link_MPAS_PDF] and the [MPAS-CMAQ Chapter within the CMAQ User Guide](../CMAQ_UG_ch14_MPAS-CMAQ.md) to familiarize themselves with the individuals program components.\n\nThe following support software are required for compiling and running MPAS-CMAQ.\n\n1. Fortran and C compilers, e.g., [Intel](https://software.intel.com/en-us/fortran-compilers), [Portland Group](http://www.pgroup.com), [Gnu](https://gcc.gnu.org/wiki/GFortran)\n2. [Git](https://git-scm.com/book/en/v2/Getting-Started-Installing-Git)\n3. Message Passing Interface (MPI), e.g., [OpenMPI](https://www.open-mpi.org) or [MVAPICH2](http://www.mcs.anl.gov/research/projects/mpich2).\n4. Zlib, Curl, HDF5, 3. Parallel-netCDF, netCDF (C library), netCDF (Fortran interface library), sources for these libraries are obtained from http://www2.mmm.ucar.edu/people/duda/files/mpas/sources/ \n5. Information about latest release of [netCDF-C](https://docs.unidata.ucar.edu/netcdf-c/current/) and [netCDF-Fortran](https://docs.unidata.ucar.edu/netcdf-fortran/current/)\n6. Parallel I/O Library (PIO) https://github.com/NCAR/ParallelIO\n7. [C-Shell](https://github.com/tcsh-org/tcsh) \n8. Environment Modules https://modules.sourceforge.net/\n\n**Note: To install the above libraries, please edit and use the following install scripts, depending on what compiler type and version you have on your system.** \n\nLibrary install scripts are available for the following compiler versions, but this tutorial uses the compiler version gcc-11.4.1:\n\n```\ngcc-9.1\ngcc-11.4.1\nifort-18.0.2\nifort-2024\n```\n\nUsing environment modules, it is possible to use multiple compilers and compiler versions to compile the libraries and then MPAS-CMAQ.\n\nThe suggested hardware requirements for running the CMAQ-MPAS 120km Uniform Grid Benchmark case on a Linux workstation are:\n\n\n1. Linux environment with a 32 processors\n2. 16 GB RAM\n3. 400 GB hard drive storage\n\n\n## Install the MPAS-CMAQ I/O Libraries using the GCC 11.4.1 compiler\n\nLoad the environment modules for gcc and openmpi\n\n```\nmodule load openmpi_5.0.5/gcc_11.4.1\n```\n\n**Create directory for libraries**\n\n```\n#change directories to the location where you would like to install MPAS-CMAQ\nmkdir -p $cwd/MPAS-CMAQ/build/LIBRARIES_gcc11.4.1\ncd $cwd/MPAS-CMAQ/build/LIBRARIES_gcc11.4.1\n```\n\n**Obtain and run libraries install script**\n\n```\nwget https://github.com/USEPA/CMAQ/blob/main/DOCS/Users_Guide/Tutorials/scripts/mpas-cmaq_libraries/iolib_installation_gcc11.4.1.sh\n# change permission of the script so that it can be executed\nchmod 755 iolib_installation_gcc11.4.1.sh\n# run the library installation script\n./iolib_installation_gcc11.4.1.sh |& tee ./iolib_installation_gcc11.4.1.log\n```\n\n**Review the log file to verify that the libraries were installed successfully**\n\n```\ngrep -i error iolib_installation_gcc11.4.1.log\n```\n\n**Verify the libraries are installed**\n\n```\nls lib/*\nlib/libcurl.a lib/libcurl.so.4 lib/libhdf5_hl.a lib/libhdf5.settings lib/libnetcdff.la lib/libpioc.a lib/libpnetcdf.a lib/libpnetcdf.so.6\nlib/libcurl.la lib/libcurl.so.4.8.0 lib/libhdf5_hl.la lib/libnetcdf.a lib/libnetcdf.la lib/libpiof.a lib/libpnetcdf.la lib/libpnetcdf.so.6.0.0\nlib/libcurl.so lib/libhdf5.a lib/libhdf5.la lib/libnetcdff.a lib/libnetcdf.settings lib/libpio.settings lib/libpnetcdf.so lib/libz.a\n\n```\n\n## Configure Private Environment Modules\n\n```\nmkdir -p $cwd/Modules/modulefiles/mpas-cmaq-iolib\n```\n\nEdit the module name file to specify the PATH and LD_LIBARY_PATH.\n\nNext, create the module file and save it to the mpas-cmaq-iolib directory\n\nExample:\n```\nvi gcc-11.4.1\n# add the following contents to the gcc-11.4.1 file, and edit the basedir to specify your local directory path\n#%Module\n\nproc ModulesHelp { } {\n puts stderr \"This module adds mpas-cmaq-iolib/gcc-11.4.1 to your path\"\n}\n\nmodule-whatis \"This module adds mpas-cmaq-iolib/gcc-11.4.1 to your path\\n\"\n\nset basedir \"/work/users/l/i/lizadams/MPAS-CMAQ/build/LIBRARIES_gcc11.4.1/\"\nprepend-path PATH \"${basedir}/bin\"\nprepend-path LD_LIBRARY_PATH \"${basedir}/lib\"\nmodule load openmpi_5.0.5/gcc_11.4.1\n```\n\n\nAdd the following command to your .cshrc, then logout and log back in.\n\n```\nmodule use --append /work/users/l/i/lizadams/MPAS-CMAQ/build/Modules/modulefiles\n```\n\n**Load Private Environment Modules**\n\n```\n## check that your private module can be found\nmodule list\n## load the private module\nmodule load mpas-cmaq-iolib/gcc-11.4.1\n## verify the module was loaded\nmodule list\n```\n\n## Build MPAS-CMAQ\n\nThese instructions follow the [MPAS-CMAQ User Manual](https://github.com/USEPA/CMAQ/blob/MPAS-CMAQ/DOCS/Users_Guide/PDF/MPAS-CMAQ.pdf)\n\n### Clone the MPAS-CMAQ Branch\n\n```\nmkdir MPAS-CMAQ\ncd MPAS-CMAQ\ngit clone -b MPAS_CMAQ https://github.com/USEPA/CMAQ.git CMAQ_REPO\n```\n\n**Building and running in a user-specified directory outside of the repository**\n\nIn the top level of CMAQ_REPO, the bldit_project.csh script will automatically replicate the CMAQ folder structure and copy every build and run script out of the repository so that you may modify them freely without version control.\n\nIn bldit_project.csh, modify the variable $CMAQ_HOME to identify the folder that you would like to install the CMAQ package under. For example:\n\n```\nset CMAQ_HOME = [your_install_path]/MPAS-CMAQ/CMAQ_5.5\n```\nNow execute the script.\n```\n./bldit_project.csh\n```\n\n\n### Configure the MPAS-CMAQ Build Environment\n\n```\ncd [your_install_path]/MPAS-CMAQ/CMAQ_5.5/CCTM/scripts\n# note that the following environment variable has been uncommented in the bldit_cctm.csh: set build_mpas_cmaq\n./bldit_cctm.csh gcc |& tee ./bldit_cctm.log\n```\n\n**Review Makefile created for MPAS-CMAQ**\n\nNote that the config_cmaq.csh compiler settings are not utilized in the Makefile that is created by running the bldit_cctm.csh script.\n\n```\ncd BLD_CCTM_v55_gcc_cracmm2_m3dry\nvi Makefile.mpas_cmaq\n```\n\nSuccessful execution of this script creates a BLD* directory with CMAQ code and a Makefile. The CMAQ code is now ready to be compiled as part of the MPAS model.\n\nIf this step fails, please reach post on the [CMAS Forum](https://forum.cmascenter.org/c/wrf-cmaq).\n\n**Change directories to the top level MPAS-CMAQ directory**\n\n```\ncd /your-path/MPAS-CMAQ\n```\n\n### Download MPAS\n\n```\ngit clone -b MPAS7.0 git@github.com:USEPA/MPAS.git MPAS\ncd MPAS\n```\n\n**Copy the CMAQ build directory from the previous section to the MPAS src/core atmosphere directory and re-name it \"cmaq.\"**\n\n```\ncp -rp ../CMAQ_5.5/CCTM/scripts/BLD_CCTM_v55_gcc_cracmm2_m3dry/ ./src/core_atmosphere/cmaq\n```\n\n### Compile MPAS-CMAQ\n\n```\n# return to the top level MPAS directory\ncd ../MPAS\n# compile MPAS with CMAQ code\nmake gfortran CORE=atmosphere USE_PIO2=true\n```\n\n### Examine the error message\n\n```\n************ ERROR ************\nFailed to compile a PIO test program\nPlease ensure the PIO environment variable is set to the PIO installation directory\n************ ERROR ************\nmake[1]: *** [Makefile:747: pio_test] Error 1\nmake[1]: Leaving directory '/work/users/l/i/lizadams/MPAS-CMAQ/MPAS'\nmake: *** [Makefile:214: gfortran] Error 2\n```\n\n**Recommend commending out -lpio from the Makefile at line 462 and setting the PIO environment variable**\n\n\n```\nvi Makfile\n# comment out -lpio, as we only have -lpiof and -lpioc\n# LIBS += -lpio\n```\n\nSet the following environment variable to allow the pio libraries to be found \n\n```\n setenv PIO /work/users/l/i/lizadams/MPAS-CMAQ/build/LIBRARIES_gcc11.4.1/\n```\n\n\n**Recompile MPAS**\n\n```\nmake gfortran CORE=atmosphere USE_PIO2=true\n```\n\n**Examine the log for additional errors**\n\n\n```\n*** No compatible version of WRF physics tables found; attempting to download compatible tables ***\n/usr/bin/git\n*** Trying git to obtain WRF physics tables ***\nCloning into 'MPAS-Data'...\nfatal: unable to connect to github.com:\n```\n\nNeed to use ssh instead of https, follow these instructions to obtain the required files:\n\n```\ncd MPAS/src/core_atmosphere/physics/physics_wrf/files\ngit clone --branch v7.0 -n --depth=1 --filter=tree:0 ssh://github.com/MPAS-Dev/MPAS-Data\ncd MPAS-Data\ngit sparse-checkout set --no-cone /atmosphere/physics_wrf/files\ngit checkout\nmv atmosphere/physics_wrf/files/* ../\n```\n\nNow the files should be available and the using VERSION number 7.0, so recompile MPAS-CMAQ\n\n```\nmake gfortran CORE=atmosphere USE_PIO2=true\n```\n\n## next error\n\n\ngfortran: error: unrecognized command-line option ‘-traceback’\n\n\n```\n#Edit the Makefile in the physics directory\nvi /work/users/l/i/lizadams/MPAS-CMAQ/MPAS/src/core_atmosphere/physics/Makefile\n#replace -traceback with -fbacktrace\n```\n\n**Recompile**\n\n```\nmake gfortran CORE=atmosphere USE_PIO2=true\n```\n\n\n**Another error**\n\n\n```\nError: BOZ literal constant at (1) is neither a data-stmt-constant nor an actual argument to INT, REAL, DBLE, or CMPLX intrinsic function [see ‘-fno-allow-invalid-boz’]\n```\n\nEdit the Makefile to add the option -fallow-invalid-boz\n```\nvi MPAS/Makefile\n#add the following option\n-fallow-invalid-boz\n\"FFLAGS_OPT = -O3 -m64 -ffree-line-length-none -fconvert=big-endian -ffree-form -fallow-invalid-boz -fallow-argument-mismatch\"\n```\n\n**Another error**\n\n```\nmodule_sf_pxlsm.F:430:34:\n\n 430 | READ(ANAL_INTERVALC(1:2),'(i)') HH\n | 1\nError: Nonnegative width required in format string at (1)\nmodule_sf_pxlsm.F:431:34:\n\n 431 | READ(ANAL_INTERVALC(4:5),'(i)') MM\n | 1\nError: Nonnegative width required in format string at (1)\nmodule_sf_pxlsm.F:432:34:\n\n 432 | READ(ANAL_INTERVALC(7:8),'(i)') SS\n | 1\nError: Nonnegative width required in format string at (1)\n```\n\n\n**change the format i to i2:**\n\n```\n\n ! New MPAS Code. Convert MPAS Char string of soilndg interval to\n READ(ANAL_INTERVALC(1:2),'(i2)') HH\n READ(ANAL_INTERVALC(4:5),'(i2)') MM\n READ(ANAL_INTERVALC(7:8),'(i2)') SS\n ANAL_INTERVAL = (HH * 3600) + (MM * 60) + (SS)\n```\n\nsee https://stackoverflow.com/questions/11037954/error-nonnegative-width-required-in-format-string-at-1\n\n**Error**\n\n```\nmio_gather_data_mod.F90:1100:34:\n\n 1080 | call mpi_recv (who, 1, mpi_integer, mpi_any_source, &\n | 2\n......\n 1100 | call mpi_recv (recv_buf, recv_size, mpi_int, who, &\n | 1\nError: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1)\n```\n\n\n```\n# add the following option to the makefile\n-fallow-argument-mismatch\ncd ./src/core_atmosphere/cmaq/\nvi Makefile\n\n FSTD = -O3 -funroll-loops -finit-character=32 -Wtabs -Wsurprising -ftree-vectorize -ftree-loop-if-convert -finline-limit=512 -fallow-argument-mismatch\n DBG = -Wall -O0 -g -fcheck=all -ffpe-trap=invalid,zero,overflow -fbacktrace -fallow-argument-mismatch\n```\n\n**Error**\n\n```\nmpif90 -O3 -m64 -o atmosphere_model driver/*.o -L. -ldycore -lops -lframework -L/work/users/l/i/lizadams/MPAS-CMAQ/build/LIBRARIES_gcc11.4.1//lib -lpiof -lpioc -I./external/esmf_time_f90 -L./external/esmf_time_f90 -lesmf_time\n/usr/bin/ld: ./libdycore.a(mio_fcreate_mod.o): in function `__mio_fcreate_module_MOD_mio_fcreate':\nmio_fcreate_mod.F90:(.text+0x240d): undefined reference to `__netcdf_MOD_nf90_create'\n/usr/bin/ld: mio_fcreate_mod.F90:(.text+0x2549): undefined reference to `__netcdf_MOD_nf90_strerror'\n```\n\nAdd the missing libraries to the end of the link statement:\n\n```\ncd MPAS/src\nvi Makefile\nadd the following libraries to the end of the compile command (need to figure out where to add these options to the Makefile)\n-lnetcdf -lnetcdff -lhdf5_hl -lhdf5 -ll:libz.a -lpnetcdf -lnetcdf\n```\n\n\n### Verify that you have created the executable\n\n```\nls -rlt atmosphere_model\n-rwxrwxr-x 1 lizadams rc_cep-emc_psx 157259272 Jan 30 18:37 atmosphere_model\n```\n\n\n### Install the MPAS-CMAQ input data\n\nUse the AWS command line to download data from the following s3 bucket:\nMPAS-CMAQ S3 Bucket\n\n\n```\ncd /your-path/MPAS-CMAQ\n# note remove the --dryrun command from the following line after you have tested the following script\naws s3 --no-sign-request cp --recursive --region=us-east-1 --dryrun s3://mpas-cmaq/120_uniform ./120_uniform\n# This will obtain both the mpas_inputs and cmas_inputs folders\n\n```\n\nThe input files for the MPAS-CMAQ benchmark case are provided in the 120_uniform directory . Output MPAS-CMAQ files associated with the sample run script for the coupled MPAS-CMAQ model in this release package are also available.\n\n### Link input files\n\nIt may be helpful aggregate all input  les into a common directory by linking to their full paths. mkdir links\n\n```\ncd links\nln -s [full/path/to/mpas_inputs/*] .\nln -s [full/path/to/cmaq_inputs/emissions/one_day/*] .\nln -s [full/path/to//cmaq_inputs/other/*] .\n```\n\n### Run MPAS-CMAQ\n\nOne sample run scripts is provided (MPAS/run/run.csh)\n\nEdit the slurm optins for your machine\n\n\nEdit the run script\n\n```\n cd MPAS/run/\n vi run.csh\n```\n\nChange end date to run for two days\n\n\n```\n set START_DATE = \"2017-01-01\" #> beginning date (Jan 1, 2017)\n set END_DATE = \"2017-01-02\" #> ending date (Jan 2, 2017)\n```\n\nModify the following section to specify your local paths:\n\n```\n set input_path = /your-path/MPAS-CMAQ/MPAS/links\n set MPAS_path_output = /your-path/MPAS-CMAQ/MPAS/output_retest\n```\n\nSet the number of processors to run MPAS-CMAQ\n\n```\n setenv NPROCS 24\n```\n\nLoad the environment modules\n\n```\n module load openmpi_5.0.5/gcc_11.4.1 mpas-cmaq-iolib/gcc-11.4.1\n```\n\nSubmit the job to the slurm queue\n\n```\n sbatch run.csh\n```\n\n### Verify that the run was successful\n - look for the output directory\n\n ```\n cd ../output\n ```\n If the run was successful you will see the following output, with the log files saved in the 20170101 directory\n\n ```\n-rw-rw-r-- 1 lizadams rc_cep-emc_psx 2917 Nov 20 04:33 namelist.atmosphere\n-rw-rw-r-- 1 lizadams rc_cep-emc_psx 87014088 Nov 20 05:00 diag.2017-01-01.nc\n-rw-rw-r-- 1 lizadams rc_cep-emc_psx 56977988792 Nov 20 05:07 history.2017-01-01.nc\n-rw-rw-r-- 1 lizadams rc_cep-emc_psx 554322016 Nov 20 05:07 CCTM_EMIS_DIAG_20170101.nc\n-rw-rw-r-- 1 lizadams rc_cep-emc_psx 527939604 Nov 20 05:07 CCTM_OUT20170101.nc\n-rw-rw-r-- 1 lizadams rc_cep-emc_psx 40311788 Nov 20 05:07 CCTM_SOILOUT_20170101.nc\n-rw-rw-r-- 1 lizadams rc_cep-emc_psx 31299892 Nov 20 05:07 CCTM_BDSNPOUT_20170101.nc\n-rw-rw-r-- 1 lizadams rc_cep-emc_psx 199418764 Nov 20 05:08 CCTM_BDSNPDIAG_20170101.nc\n-rw-rw-r-- 1 lizadams rc_cep-emc_psx 6613956148 Nov 20 05:09 restart.2017-01-02_00.00.00.nc\n-rw-rw-r-- 1 lizadams rc_cep-emc_psx 2529702504 Nov 20 05:09 history.2017-01-02.nc\n-rw-rw-r-- 1 lizadams rc_cep-emc_psx 29011864 Nov 20 05:09 diag.2017-01-02.nc\n-rw-rw-r-- 1 lizadams rc_cep-emc_psx 21 Nov 20 05:09 restart_timestamp\n-rw-rw-r-- 1 lizadams rc_cep-emc_psx 2385 Nov 20 05:09 CCTM_BUDGET_APPL.txt\ndrwxrwxr-x 2 lizadams rc_cep-emc_psx 8393 Nov 20 05:09 20170101\n\n ```\n\n```\ncd MPAS-CMAQ/MPAS/output_288_36x8/20170101\ntail -n 5 CTM_LOG_000\n\n After NEXTIME: returned JDATE, JTIME 2017001 235230\n Master Time Step\n Processing completed... 3.8486 seconds\n\n```\n\n```\ntail -n 8 log.atmosphere.0000.out\n\n -----------------------------------------\n Total log messages printed:\n Output messages = 57411\n Warning messages = 197\n Error messages = 0\n Critical error messages = 0\n -----------------------------------------\n Logging complete. Closing file at 2024/11/20 05:09:20\n```\n\n\n### Compare the output \n\nDownload data from s3 bucket to and compare to your results.\n\n ```\n cd $CMAQ_DATA\n wget https://mpas-cmaq.s3.amazonaws.com/output/MPAS-CMAQ.120km_uniform_grid_gcc_output_288_36x8.tar.gz\n tar xvzf MPAS-CMAQ.120km_uniform_grid_gcc_output_288_36x8.tar.gz\n ```\n\n\n\n\n[link_MPAS_PDF]: https://github.com/USEPA/CMAQ/blob/MPAS_CMAQ/DOCS/Users_Guide/PDF/MPAS_CMAQ_guide.pdf\n\n\n\n\n[link_MPAS_PDF]: https://github.com/USEPA/CMAQ/blob/MPAS_CMAQ/DOCS/Users_Guide/PDF/MPAS_CMAQ_guide.pdf\n" }, { "path": "DOCS/Users_Guide/Tutorials/CMAQ_UG_tutorial_MPAS-CMAQ_Benchmark_intel.md", "content": "# MPAS-CMAQ Benchmarking Tutorial # \n\n**Purpose**: This guide describes how to install and run the MPAS-CMAQ test case, which serves two different purposes. The first being to familiarize the user with the MPAS-CMAQ suite of programs and how they work together, and secondly to verify the installation of the software on your system via benchmarking. \n\nUsers are highly encouraged to work through the [MPAS-CMAQ User Guide][link_MPAS_PDF] and the [MPAS-CMAQ Chapter within the CMAQ User Guide](../CMAQ_UG_ch14_MPAS-CMAQ.md) to familiarize themselves with the individuals program components.\n\nThe following support software are required for compiling and running MPAS-CMAQ.\n\n1. Fortran and C compilers, e.g., [Intel](https://software.intel.com/en-us/fortran-compilers), [Portland Group](http://www.pgroup.com), [Gnu](https://gcc.gnu.org/wiki/GFortran)\n2. [Git](https://git-scm.com/book/en/v2/Getting-Started-Installing-Git)\n3. Message Passing Interface (MPI), e.g., [OpenMPI](https://www.open-mpi.org) or [MVAPICH2](http://www.mcs.anl.gov/research/projects/mpich2).\n4. Zlib, Curl, HDF5, 3. Parallel-netCDF, netCDF (C library), netCDF (Fortran interface library), sources for these libraries are obtained from http://www2.mmm.ucar.edu/people/duda/files/mpas/sources/ \n5. Information about latest release of [netCDF-C](https://docs.unidata.ucar.edu/netcdf-c/current/) and [netCDF-Fortran](https://docs.unidata.ucar.edu/netcdf-fortran/current/)\n6. Parallel I/O Library (PIO) https://github.com/NCAR/ParallelIO\n7. [C-Shell](https://github.com/tcsh-org/tcsh) \n8. Environment Modules https://modules.sourceforge.net/\n\n**Note: To install the above libraries, please edit and use the following install scripts, depending on what compiler type and version you have on your system.** \n\nLibrary install scripts are available for the following compiler versions, but this tutorial uses the compiler version : ifort-20.2\n\n```\ngcc-9.1\ngcc-11.4.1\nifort-20.2\nifort-2024\n```\n\nUsing environment modules, it is possible to use multiple compilers and compiler versions to compile the libraries and then MPAS-CMAQ.\n\nThe suggested hardware requirements for running the CMAQ-MPAS 120km Uniform Grid Benchmark case on a Linux workstation are:\n\n\n1. Linux environment with a 32 processors\n2. 16 GB RAM\n3. 400 GB hard drive storage\n\n\n## Install MPAS-CMAQ I/O Libraries \n\nThis tutorial uses scripts developed with the intel/20.2 compiler.\n\nLoad the environment modules for intel\n\n```\nmodule load intel/20.2 openmpi/4.1.4-intel_20.2\n```\n\n**Create directory for libraries**\n\n```\n#change directories to the location where you would like to install MPAS-CMAQ\nmkdir -p $cwd/MPAS-CMAQ/build/LIBRARIES_intel/20.2\ncd $cwd/MPAS-CMAQ/build/LIBRARIES_intel/20.2\n```\n\n**Obtain and run libraries install script**\n\n```\nwget https://github.com/USEPA/CMAQ/blob/main/DOCS/Users_Guide/Tutorials/scripts/mpas-cmaq_libraries/iolib_installation_intel_20.2.sh\n# change permission of the script so that it can be executed\nchmod 755 iolib_installation_intel_20.2.sh \n# run the library installation script\n./iolib_installation_intel_20.2.sh |& tee ./iolib_installation_intel_20.2.log\n```\n\nReview the log file to verify that the libraries were installed successfully\n\n```\ngrep -i error iolib_installation_intel_20.2.log\n```\n\n**Verify the libraries are installed**\n\n```\nls lib/*\nlib/libcurl.a lib/libcurl.so.4 lib/libhdf5_hl.a lib/libhdf5.settings lib/libnetcdff.la lib/libpioc.a lib/libpnetcdf.a lib/libpnetcdf.so.6\nlib/libcurl.la lib/libcurl.so.4.8.0 lib/libhdf5_hl.la lib/libnetcdf.a lib/libnetcdf.la lib/libpiof.a lib/libpnetcdf.la lib/libpnetcdf.so.6.0.0\nlib/libcurl.so lib/libhdf5.a lib/libhdf5.la lib/libnetcdff.a lib/libnetcdf.settings lib/libpio.settings lib/libpnetcdf.so lib/libz.a\n\n```\n\n## Configure Private Environment Modules\n\n```\nmkdir -p $cwd/Modules/modulefiles/mpas-cmaq-iolib\n```\n\nEdit the module name file to specify the PATH and LD_LIBARY_PATH.\n\nNext, create the module file and save it to the mpas-cmaq-iolib directory\n\nExample:\n```\nvi intel-20.2\n# add the following contents to the intel-20.2 file, and edit the basedir to specify your local directory path\n#%Module\n\nproc ModulesHelp { } {\n puts stderr \"This module adds mpas-cmaq-iolib/intel-20.2 to your path\"\n}\n\nmodule-whatis \"This module adds mpas-cmaq-iolib/intel-20.2 to your path\\n\"\n\nset basedir \"/work/users/l/i/lizadams/MPAS-CMAQ/build/LIBRARIES_intel/20.2\"\nprepend-path PATH \"${basedir}/bin\"\nprepend-path LD_LIBRARY_PATH \"${basedir}/lib\"\nmodule load openmpi/4.1.4-intel_20.2\n```\n\n\nAdd the following command to your .cshrc, then logout and log back in.\n\n```\nmodule use --append /work/users/l/i/lizadams/MPAS-CMAQ/build/Modules/modulefiles\n```\n\nLoad Private Environment Modules\n\n```\n## check that your private module can be found\nmodule list\n## load the private module\nmodule load mpas-cmaq-iolib/intel-20.2\n## verify the module was loaded\nmodule list\n```\n\n\n## Build MPAS-CMAQ\n\nThese instructions follow the [MPAS-CMAQ User Manual](https://github.com/USEPA/CMAQ/blob/MPAS-CMAQ/DOCS/Users_Guide/PDF/MPAS-CMAQ.pdf)\n\n### Clone the MPAS-CMAQ Branch\n\n```\nmkdir MPAS-CMAQ\ncd MPAS-CMAQ\ngit clone -b MPAS_CMAQ https://github.com/USEPA/CMAQ.git CMAQ_REPO\n```\n\nBuilding and running in a user-specified directory outside of the repository\n\nIn the top level of CMAQ_REPO, the bldit_project.csh script will automatically replicate the CMAQ folder structure and copy every build and run script out of the repository so that you may modify them freely without version control.\n\nIn bldit_project.csh, modify the variable $CMAQ_HOME to identify the folder that you would like to install the CMAQ package under. For example:\n\n```\nset CMAQ_HOME = [your_install_path]/MPAS-CMAQ/CMAQ_5.5\n```\nNow execute the script.\n```\n./bldit_project.csh\n```\n\n\n**Configuring the MPAS-CMAQ Build Environment**\n\nEdit the config_cmaq.csh to change mpiifort to mpifort\n\n```\ncd [your_install_path]/MPAS-CMAQ/CMAQ_5.5\nvi config_cmaq.csh\n#change line 99\nsetenv myFC mpiifort\n#to\nsetenv myFC mpifort\n```\n\n**Run the build script to generate the Makefile and CMAQ scource code**\n\n```\ncd [your_install_path]/MPAS-CMAQ/CMAQ_5.5/CCTM/scripts\n# note that the following environment variable has been uncommented in the bldit_cctm.csh: set build_mpas_cmaq\n# edit the config_cmaq.csh to change mpiifort to mpifort\n# setenv myFC mpifort\n./bldit_cctm.csh intel |& tee ./bldit_cctm.log\n# note that this will not create an executable file, see next steps\n```\n\n**Review Makefile created for MPAS-CMAQ**\n\nNote that the config_cmaq.csh compiler settings are not utilized in the Makefile that is created by running the bldit_cctm.csh script.\n\n```\ncd BLD_CCTM_v55_intel_cracmm2_m3dry\nvi Makefile.mpas_cmaq\n```\n\nSuccessful execution of this script creates a BLD* directory with CMAQ code and a Makefile. The CMAQ code is now ready to be compiled as part of the MPAS model.\n\nIf this step fails, please reach post on the [CMAS Forum](https://forum.cmascenter.org/c/wrf-cmaq).\n\n**Change directories to the top level MPAS-CMAQ directory**\n\n```\ncd /your-path/MPAS-CMAQ\n```\n\n## Download MPAS model\n\n```\ngit clone -b MPAS7.0 git@github.com:USEPA/MPAS.git MPAS\ncd MPAS\n```\n\nCopy the CMAQ build directory from the previous section to the MPAS src/core atmosphere directory and re-name it \"cmaq.\"\n\n```\ncp -rp ../CMAQ_5.5/CCTM/scripts/BLD_CCTM_v55_intel_cracmm2_m3dry/ ./src/core_atmosphere/cmaq\n```\n\n## Compile MPAS-CMAQ\n\nEdit Makefile\n```\n#change mpiifort to mpifort in lines 140-142\n \"FC_PARALLEL = mpifort\" \\\n \"CC_PARALLEL = mpicc\" \\\n \"CXX_PARALLEL = mpicpc\" \\\n```\n\n```\n# return to the top level MPAS directory\ncd ../MPAS\n# compile MPAS with CMAQ code\nmake ifort CORE=atmosphere USE_PIO2=true\n```\n\nExamine the error message\n\n```\n************ ERROR ************\nFailed to compile a PIO test program\nPlease ensure the PIO environment variable is set to the PIO installation directory\n************ ERROR ************\nmake[1]: *** [Makefile:747: pio_test] Error 1\nmake[1]: Leaving directory '/work/users/l/i/lizadams/MPAS-CMAQ/MPAS'\nmake: *** [Makefile:214: gfortran] Error 2\n```\n\nRecommend commending out -lpio from the Makefile at line 462 and setting the PIO environment variable\n\n\n```\nvi Makefile\n# comment out -lpio, as we only have -lpiof and -lpioc\n# LIBS += -lpio\n```\n\nSet the following environment variable to allow the pio libraries to be found \n\n```\n setenv PIO /work/users/l/i/lizadams/MPAS-CMAQ/build/LIBRARIES_intel/20.2/\n```\n\n\nRecompile MPAS\n\n```\nmake ifort CORE=atmosphere USE_PIO2=true\n```\n\nExamine the log for additional errors\n\n\n```\n*** No compatible version of WRF physics tables found; attempting to download compatible tables ***\n/usr/bin/git\n*** Trying git to obtain WRF physics tables ***\nCloning into 'MPAS-Data'...\nfatal: unable to connect to github.com:\n```\n\nNeed to use ssh instead of https, follow these instructions to obtain the required files:\n\n```\ncd ./src/core_atmosphere/physics/physics_wrf/files\ngit clone --branch v7.0 -n --depth=1 --filter=tree:0 ssh://github.com/MPAS-Dev/MPAS-Data\ncd MPAS-Data\ngit sparse-checkout set --no-cone /atmosphere/physics_wrf/files\ngit checkout\nmv atmosphere/physics_wrf/files/* ../\n```\n\nNow the files should be available and the using VERSION number 7.0, so recompile MPAS-CMAQ\n\n```\n#change directories back to the MPAS directory \ncd ../../../../../..\nmake ifort CORE=atmosphere USE_PIO2=true\n```\n\nReview error\n\n```\nmpif90 -O3 -m64 -o atmosphere_model driver/*.o -L. -ldycore -lops -lframework -L/work/users/l/i/lizadams/MPAS-CMAQ/build/LIBRARIES_gcc11.4.1//lib -lpiof -lpioc -I./external/esmf_time_f90 -L./external/esmf_time_f90 -lesmf_time\n/usr/bin/ld: ./libdycore.a(mio_fcreate_mod.o): in function `__mio_fcreate_module_MOD_mio_fcreate':\nmio_fcreate_mod.F90:(.text+0x240d): undefined reference to `__netcdf_MOD_nf90_create'\n/usr/bin/ld: mio_fcreate_mod.F90:(.text+0x2549): undefined reference to `__netcdf_MOD_nf90_strerror'\n```\n\nAdd the missing libraries to the end of the link statement:\n\n```\ncd MPAS/src\nvi Makefile\nadd the following libraries to the end of the compile command (need to figure out where to add these options to the Makefile)\n-lnetcdf -lnetcdff -lhdf5_hl -lhdf5 -lz -lpnetcdf -lnetcdf\ncd src`\nmpifort -O3 -o atmosphere_model driver/*.o -L. -ldycore -lops -lframework -L/21dayscratch/scr/l/i/lizadams/MPAS-CMAQ/build/LIBRARIES_intel/18.2//lib -lpiof -lpioc -lnetcdf -lnetcdff -lhdf5_hl -lhdf5 -lz -lpnetcdf -lnetcdf -I./external/esmf_time_f90 -L./external/esmf_time_f90 -lesmf_time\n```\n\n\n**Verify that you have created the executable**\n\n```\nls -rlt atmosphere_model\n-rwxrwxr-x 1 lizadams rc_cep-emc_psx 157259272 Jan 30 18:37 atmosphere_model\n```\n\n\n## Install MPAS-CMAQ input data \n\nUse the aws command line\n\nMPAS-CMAQ S3 Bucket\n\n\n```\ncd /your-path/MPAS-CMAQ\n# note remove the --dryrun command from the following line after you have tested the following script\naws s3 --no-sign-request cp --recursive --region=us-east-1 --dryrun s3://mpas-cmaq/120_uniform ./120_uniform\n# This will obtain both the mpas_inputs and cmas_inputs folders\n# extract the *.tar.gz files\ncd 120_uniform/cmaq_inputs/emissions\n# to extract data for a one day run\ntar -xvjf one_day.tar.bz2\n# to extract enough data for an annual run\n# this may take 8 hours\ntar -xvjf 2017_120km.tar.bz2\n```\n\nThe input files for the MPAS-CMAQ benchmark case are provided in the 120_uniform directory . Output MPAS-CMAQ files associated with the sample run script for the coupled MPAS-CMAQ model in this release package are also available.\n\nLink the input data to a directory\n\n```\nsetenv local_dir /work/users/l/i/lizadams/MPAS-CMAQ//120_uniform\nln -s ${local_dir}/cmaq_inputs/other/* .\nln -s ${local_dir}//mpas_inputs/* .\n# for a one day run\nln -s ${local_dir}/cmaq_inputs/emissions/one_day/* .\n# for up to a year long run\n# be sure that the extraction is complete before linking the files\nln -s ${local_dir}/cmaq_inputs/emissions/2017_120km/* .\n```\n\n## Run the MPAS-CMAQ model\n\nOne sample run scripts is provided (MPAS/run/run.csh)\n\nEdit the slurm optins for your machine\n\n\nEdit the run script\n\n```\n cd MPAS/run/\n vi run.csh\n```\n\nChange end date to run for two days\n\n\n```\n set START_DATE = \"2017-01-01\" #> beginning date (Jan 1, 2017)\n set END_DATE = \"2017-01-02\" #> ending date (Jan 2, 2017)\n```\n\nModify the following section to specify your local paths:\n\n```\n set input_path = /your-path/MPAS-CMAQ/MPAS/links\n set MPAS_path_output = /your-path/MPAS-CMAQ/MPAS/output_retest\n```\n\nEdit the location of the executable\n\n```\nset MPASEXE=${MPAS_root}/src/atmosphere_model\n```\n\nSet the number of processors to run MPAS-CMAQ\n\n```\n setenv NPROCS 64\n```\n\nLoad the environment modules\n\n```\n module load openmpi/4.1.4-intel_20.2 mpas-cmaq-iolib/intel-20.2\n```\n\nSubmit the job to the slurm queue\n\n```\n sbatch run.csh\n```\n\nVerify that the run was successful\n - look for the output directory\n\n ```\n cd ../output\n ```\n If the run was successful you will see the following output, with the log files saved in the 20170101 directory\n\n ```\n-rw-rw-r-- 1 lizadams rc_cep-emc_psx 2917 Nov 20 04:33 namelist.atmosphere\n-rw-rw-r-- 1 lizadams rc_cep-emc_psx 87014088 Nov 20 05:00 diag.2017-01-01.nc\n-rw-rw-r-- 1 lizadams rc_cep-emc_psx 56977988792 Nov 20 05:07 history.2017-01-01.nc\n-rw-rw-r-- 1 lizadams rc_cep-emc_psx 554322016 Nov 20 05:07 CCTM_EMIS_DIAG_20170101.nc\n-rw-rw-r-- 1 lizadams rc_cep-emc_psx 527939604 Nov 20 05:07 CCTM_OUT20170101.nc\n-rw-rw-r-- 1 lizadams rc_cep-emc_psx 40311788 Nov 20 05:07 CCTM_SOILOUT_20170101.nc\n-rw-rw-r-- 1 lizadams rc_cep-emc_psx 31299892 Nov 20 05:07 CCTM_BDSNPOUT_20170101.nc\n-rw-rw-r-- 1 lizadams rc_cep-emc_psx 199418764 Nov 20 05:08 CCTM_BDSNPDIAG_20170101.nc\n-rw-rw-r-- 1 lizadams rc_cep-emc_psx 6613956148 Nov 20 05:09 restart.2017-01-02_00.00.00.nc\n-rw-rw-r-- 1 lizadams rc_cep-emc_psx 2529702504 Nov 20 05:09 history.2017-01-02.nc\n-rw-rw-r-- 1 lizadams rc_cep-emc_psx 29011864 Nov 20 05:09 diag.2017-01-02.nc\n-rw-rw-r-- 1 lizadams rc_cep-emc_psx 21 Nov 20 05:09 restart_timestamp\n-rw-rw-r-- 1 lizadams rc_cep-emc_psx 2385 Nov 20 05:09 CCTM_BUDGET_APPL.txt\ndrwxrwxr-x 2 lizadams rc_cep-emc_psx 8393 Nov 20 05:09 20170101\n\n ```\n\n```\ncd MPAS-CMAQ/MPAS/output_288_36x8/20170101\ntail -n 5 CTM_LOG_000\n\n After NEXTIME: returned JDATE, JTIME 2017001 235230\n Master Time Step\n Processing completed... 3.8486 seconds\n\n```\n\n```\ntail -n 8 log.atmosphere.0000.out\n\n -----------------------------------------\n Total log messages printed:\n Output messages = 57411\n Warning messages = 197\n Error messages = 0\n Critical error messages = 0\n -----------------------------------------\n Logging complete. Closing file at 2024/11/20 05:09:20\n```\n\n\n## Compare the output \n\nDownload data available on the S3 bucket\n\n ```\n cd $CMAQ_DATA\n wget https://mpas-cmaq.s3.amazonaws.com/output/MPAS-CMAQ.120km_uniform_grid_gcc_output_288_36x8.tar.gz\n tar xvzf MPAS-CMAQ.120km_uniform_grid_gcc_output_288_36x8.tar.gz\n ```\n\n\n \n\n[link_MPAS_PDF]: https://github.com/USEPA/CMAQ/blob/MPAS_CMAQ/DOCS/Users_Guide/PDF/MPAS_CMAQ_guide.pdf\n\n\n\n\n[link_MPAS_PDF]: https://github.com/USEPA/CMAQ/blob/MPAS_CMAQ/DOCS/Users_Guide/PDF/MPAS_CMAQ_guide.pdf\n" }, { "path": "DOCS/Users_Guide/Tutorials/CMAQ_UG_tutorial_WRF-CMAQ_Benchmark.md", "content": "# WRF-CMAQ Benchmarking Tutorial # \n\n**Purpose**: This guide describes how to install and run the WRF-CMAQ test case, which serves two different purposes. The first being to familiarize the user with the WRF-CMAQ suite of programs and how they work together, and secondly to verify the installation of the software on your system via benchmarking. \n\nUsers are highly encouraged to work through the [CMAQ Benchmark Tutorial](CMAQ_UG_tutorial_benchmark.md) and [WRF Installation Guide](https://www2.mmm.ucar.edu/wrf/users/) to familiarize themselves with the individuals program components.\n\n## System Checks \n\nCMAQ requires a specific hardware and software configuration. To learn about these requirements, please refer to the tutorial on [preparing your compute environment for CMAQ simulations](CMAQ_UG_tutorial_configure_linux_environment.md).\n\n## Installing WRF-CMAQ ##\n\nIf you followed the [CMAQ_UG_tutorial_build_library_gcc_support_nc4.md](CMAQ_UG_tutorial_build_library_gcc_support_nc4.md) tutorial then you have installed the required netCDF-C and netCDF-Fortran libraries in to a combined folder, and you can skip to the section Configuring the WRF-CMAQ environment.\n\nIn the directory where you would like to install WRF-CMAQ, create the directory issuing the following command to clone the EPA GitHub repository for CMAQv5.5:\n\n```\ngit clone -b main https://github.com/USEPA/CMAQ.git CMAQ_REPO\n```\n\n## Check Out a new Branch in the CMAQ Repository \n\nChecking out a new branch is a good idea even if you are not doing code development, per se. It is likely that you will want to retrieve new updates in the future, and an easy way to do this is through the main branch in the git repo. Thus, it is beneficial to leave it unperturbed if possible.\n```\ncd CMAQ_REPO\ngit checkout -b my_branch\n```\n\n## Building and running in a user-specified directory outside of the repository\n\nIn the top level of CMAQ_REPO, the bldit_project.csh script will automatically replicate the CMAQ folder structure and copy every build and run script out of the repository so that you may modify them freely without version control.\n\nIn bldit_project.csh, modify the variable $CMAQ_HOME to identify the folder that you would like to install the CMAQ package under. For example:\n```\nset CMAQ_HOME = [your_install_path]/CMAQv5.5\n```\nNow execute the script.\n```\n./bldit_project.csh\n```\n\nCMAQ_HOME will be the location of your newly created WRF_CMAQ project directory (where you will compile and run WRF-CMAQ).\n\n## Combining the netCDF-C and netCDF-Fortran libraries\n\nCompiling WRF-CMAQ requires several libraries and include files to be made avialable. Because these libraries and include files are not expected to be in standard locations, users need to explicitly provide the path to this via environmental variables. \n\nThe environmental variables that need to be set are located in the config_cmaq.csh script, located at the root of the WRF-CMAQ project directory. \n\nNote: WRF source code expects that you have already collated the netCDF-C and netCDF-Fortran libraires into one directory. If you have not done so, please follow the example instructions: \n\n```\n cd /[your_install_path]/LIBRARIES_gcc\n mkdir netcdf_combined\n cp -rp ./netcdf-fortran-4.4.5-gcc9.1.0/* ./netcdf_combined/\n cp -rp ./netcdf-c-4.7.0-gcc9.1.0/* ./netcdf_combined/\n```\n\n### Configuring the WRF-CMAQ Environment\n\nNavigate to the compiler of your choice to compile WRF-CMAQ using distributed memory parallel (dmpar). \nFor example, for GNU based compilers go to line 148 of the config_cmaq.csh. Then set the paths for NETCDF and IOAPI and the WRF_ARCH to 34. \n\n```\n#> I/O API and netCDF for WRF-CMAQ \nsetenv NETCDF [your_install_path]/LIBRARIES_gcc\nsetenv IOAPI [your_install_path]/LIBRARIES_gcc/ioapi-3.2 \nsetenv WRF_ARCH 34 # [1-75] WRF 64 Bit Linux_x86 Compiler/Architecture options\n```\n\n*Note: WRF_ARCH environment variable is used to configure WRF and is based on the following options:*\n\n```Please select from among the following Linux x86_64 options:\n\n 1. (serial) 2. (smpar) 3. (dmpar) 4. (dm+sm) PGI (pgf90/gcc)\n 5. (serial) 6. (smpar) 7. (dmpar) 8. (dm+sm) PGI (pgf90/pgcc): SGI MPT\n 9. (serial) 10. (smpar) 11. (dmpar) 12. (dm+sm) PGI (pgf90/gcc): PGI accelerator\n 13. (serial) 14. (smpar) 15. (dmpar) 16. (dm+sm) INTEL (ifort/icc)\n 17. (dm+sm) INTEL (ifort/icc): Xeon Phi (MIC architecture)\n 18. (serial) 19. (smpar) 20. (dmpar) 21. (dm+sm) INTEL (ifort/icc): Xeon (SNB with AVX mods)\n 22. (serial) 23. (smpar) 24. (dmpar) 25. (dm+sm) INTEL (ifort/icc): SGI MPT\n 26. (serial) 27. (smpar) 28. (dmpar) 29. (dm+sm) INTEL (ifort/icc): IBM POE\n 30. (serial) 31. (dmpar) PATHSCALE (pathf90/pathcc)\n 32. (serial) 33. (smpar) 34. (dmpar) 35. (dm+sm) GNU (gfortran/gcc)\n 36. (serial) 37. (smpar) 38. (dmpar) 39. (dm+sm) IBM (xlf90_r/cc_r)\n 40. (serial) 41. (smpar) 42. (dmpar) 43. (dm+sm) PGI (ftn/gcc): Cray XC CLE\n 44. (serial) 45. (smpar) 46. (dmpar) 47. (dm+sm) CRAY CCE (ftn $(NOOMP)/cc): Cray XE and XC\n 48. (serial) 49. (smpar) 50. (dmpar) 51. (dm+sm) INTEL (ftn/icc): Cray XC\n 52. (serial) 53. (smpar) 54. (dmpar) 55. (dm+sm) PGI (pgf90/pgcc)\n 56. (serial) 57. (smpar) 58. (dmpar) 59. (dm+sm) PGI (pgf90/gcc): -f90=pgf90\n 60. (serial) 61. (smpar) 62. (dmpar) 63. (dm+sm) PGI (pgf90/pgcc): -f90=pgf90\n 64. (serial) 65. (smpar) 66. (dmpar) 67. (dm+sm) INTEL (ifort/icc): HSW/BDW\n 68. (serial) 69. (smpar) 70. (dmpar) 71. (dm+sm) INTEL (ifort/icc): KNL MIC\n 72. (serial) 73. (smpar) 74. (dmpar) 75. (dm+sm) FUJITSU (frtpx/fccpx): FX10/FX100 SPARC64 IXfx/Xlfx\n\nEnter selection [1-75] : ------------------------------------------------------------------------\n```\n\nIf you have never configured WRF before, here are some guidelines:\n\n - Choose the appropriate compiler platform and hardware architecture if applicable\n - Choose the dmpar (Distributed Memory Parallelization -- MPI) option only. The serial, Single Memory Parallelization (smpar), and (dm+sm) are out of scope of this tutorial, configuration with those options require [additional support](https://forum.cmascenter.org/). \n - For more information refer to the [WRF User Guide](https://www2.mmm.ucar.edu/wrf/users/docs/user_guide_v4/v4.0/contents.html)\n\n## Compiling WRF-CMAQ\n*Before proceeding, it should be noted that building the ICON and BCON executables are optional steps when working specifically with the benchmark data. This is because the initial condition and boundary condition files have been provided for you within the benchmark data set. For further information on these preprocessors please reference [Chapter 4](../CMAQ_UG_ch04_model_inputs.md).* \n\n### Modify the bldit_cctm.csh \n\nNavigate to the WRF-CMAQ project directory and from there navigate to the CCTM/scripts directory.\n\n```\ncd CCTM/scripts\ncp bldit_cctm.csh bldit_wrf4.5.1_cctmv55.csh\n```\n\nEdit bldit_wrf4.5.1_cctmv55.csh and uncomment the option to build WRF-CMAQ twoway: \n \n```\n#> Two-way WRF-CMAQ \nset build_twoway #> uncomment to build WRF-CMAQ twoway; \n```\n\nVerify that WRF_CMAQ environment variable is set to 1:\n\n```\ngrep WRF_CMAQ bldit_wrf4.5.1_cctmv55.csh\n```\n\nOutput:\n\n```\n setenv WRF_CMAQ 1\n```\n\nSet the WRF version to release-v4.5.1\n\n```\n if ( $?build_twoway ) then # WRF Version used for WRF-CMAQ Model (must be v4.4+)\n set WRF_VRSN = release-v4.5.1\n endif\n```\n\nSet the BLD directory name to add wrf to it, so that when the script copies the BLD directory, that it does not copy an existing direectory.\n\n```\n#> Set and create the \"BLD\" directory for checking out and compiling \n#> source code. Move current directory to that build directory.\n if ( $?Debug_CCTM ) then\n set Bld = $CMAQ_HOME/CCTM/scripts/BLD_CCTM_${VRSN}_${compilerString}_${Mechanism}_${DepMod}_wrfcmaq_debug\n else\n set Bld = $CMAQ_HOME/CCTM/scripts/BLD_CCTM_${VRSN}_${compilerString}_${Mechanism}_${DepMod}_wrfcmaq\n endif\n```\n\n\nConfigure CMAQ benchmark Science Modules:\n\nThe build directory parameters for the benchmark test case include the following:\n\n- Multiprocessor simulation \n- 3-D Advection Scheme: wrf_cons\n- Horizontal diffusion: Multiscale\n- Vertical diffusion: ACM2_M3Dry\n- Deposition: M3Dry\n- Chemistry solver: EBI\n- Aerosol module: AERO7\n- Cloud module: ACM_AE7\n- Mechanism: cb6r3_ae7_aq\n- Online biogenic emissions\n- Inline plume rise\n\nTo configure these parameters, the CCTM Science Modules within the bldit_cctm.csh need to be modified from set defaults. The comments within the script itself should help guide the user on the options for each variable and how to set them. Further information on variable names can be found in \n[Appendix A](../Appendix/CMAQ_UG_appendixA_model_options.md).\n\n### Run the build script\n\nIf you have set up environment modules for your libraries, then load them\n\n```\nmodule load netcdf-4.5.3-for_nc4/gcc-11.2 ioapi-3.2/gcc-11.2 openmpi_5.0.5/gcc\n```\n\nRun the bldit script to compile wrf-cmaq\n\n```\n./bldit_wrf4.5.1_cctmv55.csh gcc |& tee bldit_wrf4.5.1_cctmv55.log\n```\nUsers should look for the following message at the end of their bldit_wrf4.5.1_cctmv55.log: \n\n```\n---> Executables successfully built <---\n\n-rwxr-xr-x. 1 user home 51139232 Jun 7 19:03 main/ndown.exe\n-rwxr-xr-x. 1 user home 51187088 Jun 7 19:03 main/real.exe\n-rwxr-xr-x. 1 user home 50445512 Jun 7 19:03 main/tc.exe\n-rwxr-xr-x. 1 user home 81349320 Jun 7 19:02 main/wrf.exe\n\n==========================================================================\n\n```\n\nIf the User sees this, the WRF-CMAQ model has been successfully compiled and built. If not, the User should double check the library paths above and try again. \n\nIf you get this error:\n\n```\nError NoahMP submodule files not populating WRF directories\nmake: *** [wrf] Error 31\n```\n\nThis is because of a conflict between git clone and the environment modules.\n\nTry the following commands:\n\n```\ncd ./BLD_WRF_release-v4.5.1_CCTM_v55_gcc/phys\ngit clone ssh://github.com/NCAR/noahmp/\ncd ..\n./compile em_real |& tee compile.again.log\n```\n\nIf the git clone ssh command doesn't work, try \n\n```\ngit clone https://github.com/NCAR/noahmp/\n```\n\nIf you get this error:\n\ngfortran: error: libcmaqlib.a: No such file or directory\n\nThen try the following commands to recompile the cmaq executable, and then retry building WRF-CMAQ\n\n```\ncd cmaq\nmake -f Makefile.twoway\ncd ..\n./compile em_real |& compile.again.log\n```\n\nIf you get this error \n\n```\nname2fid.f:(.text+0x17): undefined reference to `GOMP_critical_name_start'\n```\n\nEdit the configure.wrf to remove the commented out -fopenmp flags.\n\nChange\n\n```\nOMP = # -fopenmp\nOMPCC = # -fopenmp\n```\n\nto\n\n```\nOMP = -fopenmp\nOMPCC = -fopenmp\n```\n\nRecompile\n\n```\n./compile em_real | & tee ./compile.again.3rd.log\n```\n\nAn additional error can occur if time is not found on your system.\nIf this is the case, edit the configure.wrf to remove the time command from the F90 definition.\n\n```\ncd BLD_WRF_release-v4.5.1_CCTM_v55_gcc\nvi configure.wrf\n```\n\nedit line 138\n\nchange\n\n```\nFC = time $(DM_FC)\n```\n\nto\n\n```\nFC = $(DM_FC)\n```\n\nIf the build fails due to not finding the mpi.h include file, then edit the configure.wrf file to add the following:\n\nAdd the following to the list of the INCLUDE_MODULES = \n\n```\n-I$(MPIPATH)/include \\\n```\n\nThen define MPIPATH (add under the NETCDFPATH settings) to your local path\nExample: \n\n```\nMPIPATH = /nas/sycamore/apps/openmpi/5.0.5/\n```\n\nExample:\n\n```\nINCLUDE_MODULES = $(MODULE_SRCH_FLAG) \\\n $(ESMF_MOD_INC) $(ESMF_LIB_FLAGS) \\\n -I$(WRF_SRC_ROOT_DIR)/main \\\n -I$(WRF_SRC_ROOT_DIR)/external/io_netcdf \\\n -I$(WRF_SRC_ROOT_DIR)/external/io_int \\\n -I$(WRF_SRC_ROOT_DIR)/frame \\\n -I$(WRF_SRC_ROOT_DIR)/share \\\n -I$(WRF_SRC_ROOT_DIR)/phys \\\n -I$(WRF_SRC_ROOT_DIR)/wrftladj \\\n -I$(WRF_SRC_ROOT_DIR)/chem -I$(WRF_SRC_ROOT_DIR)/inc \\\n -I$(NETCDFPATH)/include \\\n -I$(MPIPATH)/include \\\n\nREGISTRY = Registry\nCC_TOOLS_CFLAGS = -DNMM_CORE=$(WRF_NMM_CORE)\n\nLIB = $(LIB_BUNDLED) $(LIB_EXTERNAL) $(LIB_LOCAL) $(LIB_WRF_HYDRO) $(NETCDF4_DEP_LIB)\nLDFLAGS = $(OMP) $(FCFLAGS) $(LDFLAGS_LOCAL)\nENVCOMPDEFS = -DWRF_CMAQ\nWRF_CHEM = 0\nCPPFLAGS = $(ARCHFLAGS) $(ENVCOMPDEFS) -I$(LIBINCLUDE) $(TRADFLAG)\nNETCDFPATH = /proj/ie/proj/CMAS/CMAQ/WRF-CMAQv5.5/build/LIBRARIES_gcc11.2\nMPIPATH = /nas/sycamore/apps/openmpi/5.0.5/\nHDF5PATH =\nWRFPLUSPATH =\nRTTOVPATH =\nPNETCDFPATH =\nADIOS2PATH =\n```\n\nAlso edit the configure.wrf to add the -fallow-argument-mismatch option \n\n```\nFCOPTIM = -O2 -ftree-vectorize -funroll-loops -fallow-argument-mismatch\nFCCOMPAT = -fallow-argument-mismatch -fallow-invalid-boz -fallow-argument-mismatch\n```\n\nRerun the bldit script\n\n```\n./bldit_wrf4.5.1_cctmv55.csh gcc | & tee ./bldit_wrf4.5.1_cctmv55.log\n```\n\n\n\nIf it still fails, please reach post on the [CMAS Forum](https://forum.cmascenter.org/c/wrf-cmaq).\n\n\n\n### Install the WRF-CMAQ reference input benchmark data\n\n\nDownload the CMAQ two day reference input data from the [CMAS Center Data Warehouse Google Drive](https://drive.google.com/drive/folders/1AFUB-4kzIXXoZr4hOHNBqRvy9JQ9_MDp?usp=sharing) or from the [CMAS Center Data Warehouse Amazon Web Services S3 Bucket](https://cmaq-release-benchmark-data-for-easy-download.s3.amazonaws.com/index.html#v5_5/\n), file CMAQv5.4_2018_12NE3_Benchmark_2Day_Input.tar.gz. The CMAQ benchmark test case is a two day simulation for July 1-2 2018 on a 100 column x 105 row x 35 layer 12-km resolution domain over the northeast U.S. \n\n - Use the gdrive command if you are downloading the dataset from Google Drive.\n - If this is the first time that you are using gdrive, or if you have an issue with your token, please read the following instructions\n - [Tips to download data from CMAS Data Warehouse](https://docs.google.com/document/d/1e7B94zFkbKygVWfrhGwEZL51jF4fGXGXZbvi6KzXYQ4)\n - Text files are included that provide a list of the files in the benchmark input datasets.\n - wget can be used to download data from the CMAS Open Data Folder on AWS\n - Reference output files for WRF-CMAQv5.5 will be provided at a later date.\n\n\nCopy the data to `$CMAQ_DATA`. Navigate to the `$CMAQ_DATA` directory, unzip and untar the two day benchmark input files:\n\n```\ncd $CMAQ_DATA\nwget https://cmaq-release-benchmark-data-for-easy-download.s3.amazonaws.com/v5_5/CMAQv5.4_2018_12NE3_Benchmark_2Day_Input.tar.gz\ntar xvzf CMAQv5.4_2018_12NE3_Benchmark_2Day_Input.tar.gz\n```\n\nThe input files for the WRF-CMAQ benchmark case are provided in the base model benchmark inputs .tar file. Output WRF-CMAQ files associated with the sample run script for the coupled WRF-CMAQ model in this release package are also available. \n \n## Running the WRF-CMAQ model\n\nNote, in this new coupled model design, the namelist is used to modify settings for WRF.\nEnvironment variables such as WRF_CMAQ_FREQ are no longer used. \nThe following commonly modified namelist options for WRF-CMAQ are specified in the run script.\n\n 1. wrf_cmaq_option (dictates how the coupled model execute)\n\n 0 = run WRF only\n 1 = run WRF only w producing MCIP like GRID and MET files\n 2 = run WRF-CMAQ coupled model w/o producing MCIP like GRID and MET files\n 3 = run WRF-CMAQ coupled model w producing MCIP like GRID and MET files\n\n 2. wrf_cmaq_freq (indicate how often WRF and CMAQ interact)\n\n 3. met_file_tstep (time step size of MCIP like intermediate output files)\n\n 4. direct_sw_feedback (indicate to turn on aerosol short wave direct effect)\n\n 5. feedback_restart (indicate aerosol short wave direct effect information is\n available in the WRF restart file or not)\n \n* One sample run scripts is provided (run_cctm_Bench_2018_12NE3.WRFCMAQ.csh) for running the coupled\n model with short wave radiation feedback turned on. Reference benchmark output will be provided for a test simulations with short wave radiation feedback turned on (\"sf\") and turned off (\"nf\"). \n\n\n - Start with the run_cctm_Bench_2018_12NE3.WRFCMAQ.csh that specifies direct_sw_feedback = .true.\n - and the CMAQv5.4 input benchmark dataset to run CMAQ-WRF with feedback\n - It is configured to run on 32 processors and for 1 day of model simulation\n - Edit the script to specify the paths, modify the number of processors and batch queue commands\n - Fix VEGPARM.TBL, since Benchmark runs with PX LSM with NLCD40 Data\n \n**\\* Users using PX Land Surface Model option with NLCD40 dataset are required to fix their VEGPARM.TBL before running WRF-CMAQ, due to a bug in the WRF released VEGPARM.TBL. Please see the [WRF Repository](https://github.com/wrf-model/WRF/pull/1733) for more information on the bug.***\n\n - For example, one option may include manually editing the existing VEGPARM.TBL (found in WRF-CMAQ Build Directory) with the fix seen on the [WRF Repository](https://github.com/wrf-model/WRF/pull/1733/files). \n\n\n Edit the run script\n\n ```\n vi run_cctm_Bench_2018_12NE3.WRFCMAQ.csh\n ```\n\n Change end date to run for two days\n\n\n ```\n set START_DATE = \"2018-07-01\" # beginning date (July 1, 2016)\n set END_DATE = \"2018-07-02\" # ending date (July 14, 2016)\n ```\n\n Set the WRF version number\n\n ```\n set wrfv = release_v4.5.1\n ```\n\n Now, modify the following section to specify your local paths: \n\n ```\n set WORKDIR = ${PWD}\n set WRF_DIR = $WORKDIR/BLD_WRF_release-v4.5.1_CCTM_v55_gcc # WRF source code directory\n set INPDIR = ${CMAQ_DATA}/CMAQv5.4_2018_12NE3_Benchmark_2Day_Input/2018_12NE3\n set OUTPUT_ROOT = $WORKDIR # output root directory\n set output_direct_name = WRFCMAQ-output-${version} # Output Directory Name\n setenv OUTDIR $OUTPUT_ROOT/$output_direct_name # output files and directories\n set NMLpath = $WRF_DIR/cmaq # path with *.nml file mechanism dependent\n\n ```\n\n - Set the number of processors to run WRF-CMAQ \n\n ```\n set NPROCS = 32\n ```\n\n - Load the environment modules \n\n ```\n module load netcdf-4.5.3-for_nc4/gcc-11.2 ioapi-3.2/gcc-11.2 openmpi_5.0.5/gcc\n ```\n \n - Run the job (if you have a batch queuing system such as SLURM use sbatch after adding the sbatch commands to the top of the run script): \n\n ```\n ./run_cctm_Bench_2018_12NE3.WRFCMAQ.csh\n ```\n \n### Verify that the run was successful\n - look for the output directory\n \n ```\n cd WRFCMAQ-output-sf_feedback\n ```\n If the run was successful you will see the following output\n \n ```\n tail ./2018182/rsl.out.0000\n ```\n\n |>--- PROGRAM COMPLETED SUCCESSFULLY ---<|\n\n### Compare the output to what is available on the S3 bucket\n\n ```\n cd $CMAQ_DATA\n wget https://cmaq-release-benchmark-data-for-easy-download.s3.amazonaws.com/v5_5/WRF-CMAQ/WRFv4.5.1-CMAQv55-output-sw_feedback_gcc.tar.gz\n tar xvzf WRFv4.5.1-CMAQv55-output-sw_feedback_gcc.tar.gz\n ```\n\n" }, { "path": "DOCS/Users_Guide/Tutorials/CMAQ_UG_tutorial_benchmark.md", "content": "# CMAQ Installation & Benchmarking Tutorial for CB6R5 \n\nPurpose: This guide describes how to run the CMAQ test case for the CB6R5 mechanism with the M3DRY dry deposition scheme, which serves two different purposes. The first being to familiarize the user with the CMAQ suite of programs and how they work together, and secondly to verify the installation of the software on your system via benchmarking. \n\nBenchmarking refers to a simulation that is used to verify that the software is installed correctly. Benchmarking CMAQ is recommended in the following circumstances:\n- Installation by a new user\n- Installation on a new server \n- Following kernel upgrades\n- Following compiler or system library updates\n \n## System Checks \n\nCMAQ requires a specific hardware and software configuration. To learn about these requirements, please refer to the tutorial on [preparing your compute environment for CMAQ simulations](CMAQ_UG_tutorial_configure_linux_environment.md).\n\n## Install CMAQ \n\nIn the directory where you would like to install CMAQ, create the directory issue the following command to clone the EPA GitHub repository for CMAQv5.5:\n\n```\ngit clone -b main https://github.com/USEPA/CMAQ.git CMAQ_REPO\n```\n\nFor instructions on installing CMAQ from Zip files, see [Chapter 5](../CMAQ_UG_ch05_running_a_simulation.md).\n\n## Check Out a new Branch in the CMAQ Repository \n\nChecking out a new branch is a good idea even if you are not doing code development, per se. It is likely that you will want to retrieve new updates in the future, and an easy way to do this is through the main branch in the git repo. Thus, it is beneficial to leave it unperturbed if possible.\n```\ncd CMAQ_REPO\ngit checkout -b my_branch\n```\n\n## Configure the CMAQ build environment\n\nThe user has two options for building an environment. She or he may build and run CMAQ components directly in the repository structure (object files and executables will be ignored with .gitignore), or they may extract the build and run scripts out of the repository and work in a separate location. If you would like to build directly in the repository, skip to \"Link the CMAQ Libraries\" below.\n\n### Build and run in a user-specified directory outside of the repository\nIn the top level of CMAQ_REPO, the bldit_project.csh script will automatically replicate the CMAQ folder structure and copy every build and run script out of the repository so that you may modify them freely without version control.\n\nIn bldit_project.csh, modify the variable $CMAQ_HOME to identify the folder that you would like to install the CMAQ package under. For example:\n```\nset CMAQ_HOME = [your_install_path]/CMAQ_v5.5\n```\n\nNow execute the script.\n```\n./bldit_project.csh\n```\n\n## Link the CMAQ Libraries\nThe CMAQ build scripts require the following libraries and INCLUDE files to be available in the CMAQ_LIB directory (Note: the CMAQ_LIB gets set automatically by the config_cmaq.csh script, where `CMAQ_LIB = $CMAQ_HOME/lib`): \n\n- netCDF C library files are located in the `$CMAQ_LIB/netcdf/lib` directory\n- netCDF Fortran library files are located in the `$CMAQ_LIB/netcdff/lib` directory\n- I/O API library, include files and module files are located in the `$CMAQ_LIB/ioapi` directory\n- MPI library and INCLUDE files are located in the `$CMAQ_LIB/mpi` directory\n\nThe config_cmaq.csh script will automatically link the required libraries into the CMAQ_LIB directory. Set the locations of the netCDF, I/O API, and MPI installations on your Linux system with the following config_cmaq.csh environment variables:\n\n- `setenv IOAPI_INCL_DIR`: the location of the I/O API include header files on your system.\n- `setenv IOAPI_LIB_DIR`: the location of compiled I/O API libraries on your system.\n- `setenv NETCDF_LIB_DIR`: the location of the netCDF C library installation on your system.\n- `setenv NETCDF_INCL_DIR`: the location of the netCDF C include files on your system.\n- `setenv NETCDFF_LIB_DIR`: the location of the netCDF Fortran library installation on your system.\n- `setenv NETCDFF_INCL_DIR`: the location of the netCDF Fortran include files on your system.\n- `setenv MPI_LIB_DIR`: the location of the MPI (OpenMPI or MVAPICH) on your system.\n\nFor example, if your netCDF C libraries are installed in /usr/local/netcdf/lib, set `NETCDF_LIB_DIR` to /usr/local/netcdf/lib. Similarly, if your I/O API library is installed in /home/cmaq/ioapi/Linux2_x86_64gfort, set `IOAPI_LIB_DIR` to /home/cmaq/ioapi/Linux2_x86_64gfort. \n\n*1.* Check the names of the I/O API and netCDF libraries using the `ioapi_lib` and `netcdf_lib` script variables.\n\n*2.* Check the name of the MPI library using the `mpi_lib` script variable. For MVAPICH use `-lmpich`; for openMPI use `-lmpi`.\n\nLinks to these libraries will automatically be created when you run any of the build or run scripts. To manually create these libraries (this is optional), execute the config_cmaq.csh script, identifying the compiler in the command line [intel | gcc | pgi]:\n```\nsource config_cmaq.csh [compiler] \n```\nYou may also identify the version of the compiler if you wish it to be identified in build directory and executable names. This is optional. For example:\n```\nsource config_cmaq.csh gcc 9.5\n```\n\n\n## Install the CMAQ reference input and output benchmark data\n\nDownload the CMAQ two day reference input and output data for the cb6r5_ae7 mechanism (using inputs from CMAQv5.4 Benchmark release) from the [CMAS Center Data Warehouse Amazon Web Services S3 Bucket](https://cmaq-release-benchmark-data-for-easy-download.s3.amazonaws.com/index.html#v5_5/): CMAQv5.4_2018_12NE3_Benchmark_2Day_Input.tar.gz\tand output_CCTM_v55_gcc_Bench_2018_12NE3_cb6r5_ae7_aq_m3dry.tar.gz. The CMAQ benchmark test case is a two day simulation for July 1-2 2018 on a 100 column x 105 row x 35 layer 12-km resolution domain over the northeast U.S. \n\nDownload and copy the data to `$CMAQ_DATA`. Navigate to the `$CMAQ_DATA` directory, unzip and untar the two day benchmark input and output files:\n\n```\ncd $CMAQ_DATA\nwget https://cmaq-release-benchmark-data-for-easy-download.s3.amazonaws.com/v5_5/CMAQv5.4_2018_12NE3_Benchmark_2Day_Input.tar.gz\ntar -xzvf CMAQv5.4_2018_12NE3_Benchmark_2Day_Input.tar.gz\nmkdir ref_output\ncd ref_output\nwget https://cmaq-release-benchmark-data-for-easy-download.s3.amazonaws.com/v5_5/output_CCTM_v55_gcc_Bench_2018_12NE3_cb6r5_ae7_aq_m3dry.tar.gz\ntar -xzvf output_CCTM_v55_gcc_Bench_2018_12NE3_cb6r5_ae7_aq_m3dry.tar.gz\n```\n\n*Note that there is also benchmark output data for CMAQv5.5 with CB6r5 and the STAGE dry deposition module. Look for output_CCTM_v55_gcc_Bench_2018_12NE3_cb6r5_ae7_aq_stage.tar.gz in the AWS link above.* \n\n## Compiling CMAQ \n\n*Before proceeding, it should be noted that building the ICON and BCON executables are optional steps when working specifically with the benchmark data. This is because the initial condition and boundary condition files have been provided for you within the benchmark data set. For further information on these preprocessors please reference [Chapter 4](../CMAQ_UG_ch04_model_inputs.md).* \n\nCreate the model executables for CCTM using the steps shown below. \n\nCreate a bldit_cctm script for this benchmark and verify or modify the settings listed below.\n\n```\ncp bldit_cctm.csh bldit_cctm_cb6r5_m3dry.csh\nvi bldit_cctm_cb6r5_m3dry.csh\n```\n\n##### Configuration for multi-processor runs (default):\n\n```\ncd $CMAQ_HOME/CCTM/scripts\ncp bldit_cctm.csh bldit_cctm_cb6r5_ae7_aq_m3dry.csh\n```\n\nEdit the bldit_cctm_cb6r5_ae7_aq_m3dry.csh script to use the following settings:\n\n\n```\nset ParOpt #> Option for MPI Runs\n````\n\n##### Configuration for single-processor runs (optional):\n\nFor single-processor computing, edit the CCTM build script (bldit_cctm.csh) to indicate a single-processor run by commenting out set ParOpt as shown below. \n\n```\n#set ParOpt #> Option for Single Processor Runs\n````\n\n#### Configure CMAQ benchmark Science Modules:\n\nThe build directory parameters for the benchmark test case include the following:\n\n- Multiprocessor simulation \n- 3-D Advection Scheme: wrf_cons\n- Horizontal diffusion: Multiscale\n- Vertical diffusion: ACM2_M3Dry\n- Deposition: M3Dry\n- Chemistry solver: EBI\n- Aerosol module: AERO7 \n- Cloud module: ACM_AE7\n- Mechanism: cb6r5_ae7_aq\n- Inline biogenic emissions\n- Inline plume rise\n\nTo configure these parameters, the CCTM Science Modules within the bldit_cctm.csh need to be set. The comments within the script itself should help guide the user on the options for each variable and how to set them. Further information on variable names can be found in \n[Appendix A](../Appendix/CMAQ_UG_appendixA_model_options.md).\n\nVerify that the dry deposition scheme to use M3DRY\n```\n#> Set Dry Deposition Scheme to m3dry \n\n set DepMod = m3dry\n```\n\n*Note that there is reference benchmark output for both the M3DRY and STAGE dry deposition schemes. To try a simulation using STAGE simply change this model setting to set DepMod =stage.*\n\nFollowing the requisite changes to the CCTM build script, use the following command to create the CCTM executable: \n\n```\ncd $CMAQ_HOME/CCTM/scripts\n./bldit_cctm_cb6r5_ae7_aq_m3dry [compiler] [version] |& tee bldit_cctm_cb6r5_ae7_aq_m3dry.log\n```\n\nVerify that the BLD directory contains a namelist called\n\n```\ncd BLD_CCTM_v55_gcc_cb6r5_ae7_aq_m3dry\nls CMAQ_Control_DESID_cb6r5_ae7_aq.nml\n```\n\n\n## Configure the CCTM script \n\nFor an MPI configuration with 32 processors,\n\n```\ncd $CMAQ_HOME/CCTM/scripts\n```\n\nEdit the CCTM run script (run_cctm_Bench_2018_12NE3_CB6R5.csh) for the MPI configuration and compiler that you will use:\n\n```\nsetenv compiler gcc\nsetenv compilerVrsn 9.5\nsetenv INPDIR ${CMAQ_DATA}/2018_12NE3\n@ NPCOL 8 ; @ NPROW = 4\n```\n\nMost clustered multiprocessor systems require a command to start the MPI run-time environment. The default CCTM run script uses the *mpirun* command. Consult your system administrator to find out how to invoke MPI when running multiprocessor applications.\n\nFor single-processor computing, set PROC to serial:\n\n```\nset PROC = serial\n```\n\nCCTM Science Configuration Options set to **Y** in the RunScript for the benchmark case include the following: \n\n- ```CTM_OCEAN_CHEM``` - use ocean halgoen chemistry and sea spray aerosol emissions\n- ```KZMIN``` - minimum eddy diffusivity in each grid cell determined by land use fraction\n- ```PX_VERSION``` - WRF PX land surface model \n- ```CTM_ABFLUX``` - bidirectional ammonia flux for online deposition velocities\n- ```CTM_BIDI_FERT_NH3``` - subtract fertilizer NH3 from emissions because it will be handled by the BiDi calculation\n- ```CTM_SFC_HONO``` - surface HONO interaction\n- ```CTM_GRAV_SETL``` - vdiff aerosol gravitational sedmentation\n- ```CTM_BIOGEMIS``` - online biogenic emissions\n\nTo configure these parameters, the Science Options within the $CMAQ_HOME/CCTM/scripts/run_cctm_Bench_2018_12NE3_CB6R5.csh need to be set. The comments within the script itself should help guide the user on the options for each variable and how to set them. Further information on variable names can be found in \n[Appendix A](../Appendix/CMAQ_UG_appendixA_model_options.md).\n\nAfter configuring the MPI settings for your Linux system, check the rest of the script to ensure the correct path, date and names are used for the input data files. Per the note above, different Linux systems have different requirements for submitting MPI jobs. The command below is an example of how to submit the CCTM run script and may differ depending on the MPI requirements of your Linux system. \n\n```\n./run_cctm_Bench_2018_12NE3_CB6R5.csh |& tee cctm.log\n```\n\n## Confirm that the Benchmark Simulation Completed\n\nTo confirm that the benchmark case ran to completion view the run.benchmark.log file. For MPI runs, check each of the CTM_LOG_[ProcessorID]*.log files. A successful run will contain the following line at the bottom of the log(s):\n\n``>>----> Program completed successfully <----<<``\n\nNote: If you are running on multiple processors the log file for each processor is also moved from the $CMAQ_HOME/CCTM/scripts directory to the benchmark output directory: \n\n```\n$CMAQ_DATA/output_CCTM_v55_[compiler]_Bench_2018_12NE3_cb6r5_ae7_aq_m3dry\n```\nand these log files have the name convention: \n\n```\nCTM_LOG_[ProcessorID].v55_[compiler]_[APPL]_[YYYYMMDD]\nCTM_LOG_[ProcessorID].v55_gcc_Bench_2018_12NE3_cb6r5_ae7_aq_m3dry_20180702\n```\n\nThe benchmark output results will have been placed in the directory: \n\n```\n$CMAQ_DATA/output_CCTM_v55_[compiler]_Bench_2018_12NE3_cb6r5_ae7_aq_m3dry\n```\n\nand can include upto 23 netCDF-type files: ACONC, AELMO, B3GTS_S, BSOILOUT, BUDGET, CGRID, CONC, DEPV, DRYDEP, DUSTEMIS, LTNGCOL, LTNGHRLY, MEDIA_CONC, PHOTDIAG1, PHOTDIAG2, ELMO, SOILOUT, SSEMIS, VDIFF, VSED, WETDEP1, and WETDEP2.\n\n\nCommon errors in a CCTM simulation include the following:\n- Incorrect paths to input files. Look in the CCTM screen output (capture in your log file) for an Error message about an input file not being found. \n- Incorrect MPI implementation. A series of MPI errors at the end of the log file often indicate that the MPI job was not submitted correctly. \n\nCheck the last few lines of the CCTM output log for messages to help diagnose why the simulation did not complete.\n\n## Check the CMAQ Benchmark Results\n\nTo determine if CMAQ is correctly installed on your Linux system compare the results from your benchmark simulation to the reference output data downloaded from the CMAS Center. This data was generated on a Linux system with the following specifications:\n- Linux Kernel 3.10.0-514.el7.x86_64\n- Red Hat Enterprise Linux Server 7.3 (Maipo) (use command: cat /etc/os-release)\n- GNU GCC compiler version 9.1.0, 16 processors with OpenMPIv4.0.1 and I/O APIv3.2 tagged version 20200828\n- Debug mode turned off (```set Debug_CCTM``` commented out in $CMAQ_HOME/CCTM/scripts/bldit_cctm.csh)\n- CMAQv5.5\n\nThe CMAQv5.5 reference output data includes a set of CCTM_ACONC_\\*.nc files with layer 1 average model species concentrations for each model hour for 226 variables and a set of CCTM_WETDEP1_\\*.nc files with cumulative hourly wet deposition fluxes for an additional 136 variables. \n\nUse your netCDF evaluation tool of choice to evaluate your benchmark results. For example, [VERDI](https://www.verdi-tool.org/) is a visualization tool to view CCTM results as tile plots. Statistical comparison of the results can be made with the I/O API Tools or R. \n\nNote, even with a successful installation and run of the benchmark case, some differences between your simulation and the reference data can occur due to differences in domain decomposition for multi-processor simulations as well as differences in compiler. These differences tend to manifest in upper layers of the model and are mostly found in predicting aerosol water (AH2O) and aerosol acidity (AH3OP), while differences are smaller for other key species like ASO4, ANO3, ACL, ALOO1, etc. These species have short atmospheric lifetimes with large changes in time and space derivatives or have model physics sensitive to small changes in concentration. Predicting these species is more sensitive to small changes in machine precision and accuracy.\n\n" }, { "path": "DOCS/Users_Guide/Tutorials/CMAQ_UG_tutorial_benchmark_cracmm2_stage.md", "content": "# CMAQ Installation & Benchmarking Tutorial for CRACMM2\n\nPurpose: This guide describes how to install and run the CMAQ test case for the CRACMM2 mechanism with the STAGE dry deposition scheme, which serves two different purposes. The first being to familiarize the user with the CMAQ suite of programs and how they work together, and secondly to verify the installation of the software on your system via benchmarking. \n\nBenchmarking refers to a simulation that is used to verify that the software is installed correctly. Benchmarking CMAQ is recommended in the following circumstances:\n- Installation by a new user\n- Installation on a new server \n- Following kernel upgrades\n- Following compiler or system library updates\n \n## System Checks \n\nCMAQ requires a specific hardware and software configuration. To learn about these requirements, please refer to the tutorial on [preparing your compute environment for CMAQ simulations](CMAQ_UG_tutorial_configure_linux_environment.md).\n\n## Install CMAQ \n\nIn the directory where you would like to install CMAQ, create the directory issue the following command to clone the EPA GitHub repository for CMAQv5.5:\n\n```\ngit clone -b main https://github.com/USEPA/CMAQ.git CMAQ_REPO\n```\n\nFor instructions on installing CMAQ from Zip files, see [Chapter 5](../CMAQ_UG_ch05_running_a_simulation.md).\n\n## Check Out a new Branch in the CMAQ Repository \n\nChecking out a new branch is a good idea even if you are not doing code development, per se. It is likely that you will want to retrieve new updates in the future, and an easy way to do this is through the main branch in the git repo. Thus, it is beneficial to leave it unperturbed if possible.\n```\ncd CMAQ_REPO\ngit checkout -b my_branch\n```\n\n## Configure the CMAQ build environment\n\nThe user has two options for building an environment. She or he may build and run CMAQ components directly in the repository structure (object files and executables will be ignored with .gitignore), or they may extract the build and run scripts out of the repository and work in a separate location. If you would like to build directly in the repository, skip to \"Link the CMAQ Libraries\" below.\n\n### Build and run in a user-specified directory outside of the repository\nIn the top level of CMAQ_REPO, the bldit_project.csh script will automatically replicate the CMAQ folder structure and copy every build and run script out of the repository so that you may modify them freely without version control.\n\nIn bldit_project.csh, modify the variable $CMAQ_HOME to identify the folder that you would like to install the CMAQ package under. For example:\n```\nset CMAQ_HOME = [your_install_path]/CMAQ_v5.5\n```\n\nNow execute the script.\n```\n./bldit_project.csh\n```\n\n## Link the CMAQ Libraries\nThe CMAQ build scripts require the following libraries and INCLUDE files to be available in the CMAQ_LIB directory (Note: the CMAQ_LIB gets set automatically by the config_cmaq.csh script, where `CMAQ_LIB = $CMAQ_HOME/lib`): \n\n- netCDF C library files are located in the `$CMAQ_LIB/netcdf/lib` directory\n- netCDF Fortran library files are located in the `$CMAQ_LIB/netcdff/lib` directory\n- I/O API library, include files and module files are located in the `$CMAQ_LIB/ioapi` directory\n- MPI library and INCLUDE files are located in the `$CMAQ_LIB/mpi` directory\n\nThe config_cmaq.csh script will automatically link the required libraries into the CMAQ_LIB directory. Set the locations of the netCDF, I/O API, and MPI installations on your Linux system with the following config_cmaq.csh environment variables:\n\n- `setenv IOAPI_INCL_DIR`: the location of the I/O API include header files on your system.\n- `setenv IOAPI_LIB_DIR`: the location of compiled I/O API libraries on your system.\n- `setenv NETCDF_LIB_DIR`: the location of the netCDF C library installation on your system.\n- `setenv NETCDF_INCL_DIR`: the location of the netCDF C include files on your system.\n- `setenv NETCDFF_LIB_DIR`: the location of the netCDF Fortran library installation on your system.\n- `setenv NETCDFF_INCL_DIR`: the location of the netCDF Fortran include files on your system.\n- `setenv MPI_LIB_DIR`: the location of the MPI (OpenMPI or MVAPICH) on your system.\n\nFor example, if your netCDF C libraries are installed in /usr/local/netcdf/lib, set `NETCDF_LIB_DIR` to /usr/local/netcdf/lib. Similarly, if your I/O API library is installed in /home/cmaq/ioapi/Linux2_x86_64gfort, set `IOAPI_LIB_DIR` to /home/cmaq/ioapi/Linux2_x86_64gfort. \n\n*1.* Check the names of the I/O API and netCDF libraries using the `ioapi_lib` and `netcdf_lib` script variables.\n\n*2.* Check the name of the MPI library using the `mpi_lib` script variable. For MVAPICH use `-lmpich`; for openMPI use `-lmpi`.\n\nLinks to these libraries will automatically be created when you run any of the build or run scripts. To manually create these libraries (this is optional), execute the config_cmaq.csh script, identifying the compiler in the command line [intel | gcc | pgi]:\n```\nsource config_cmaq.csh [compiler] \n```\nYou may also identify the version of the compiler if you wish it to be identified in build directory and executable names. This is optional. For example:\n```\nsource config_cmaq.csh gcc 9.5\n```\n\n## Install the CMAQ reference input and output benchmark data\n\nDownload the CMAQ two day reference input and output data for the CRACMM2 mechanism from the [AWS CMAS Data Warehouse](https://cmaq-release-benchmark-data-for-easy-download.s3.amazonaws.com/v5_5/CMAQv5.5_2018_12NE3_Benchmark_cracmm2_stage_2Day_Input.tar.gz). The CMAQ benchmark test case is a two day simulation for July 1-2 2018 on a 100 column x 105 row x 35 layer 12-km resolution domain over the northeast U.S. \nCopy the data to `$CMAQ_DATA`. Navigate to the `$CMAQ_DATA` directory, unzip and untar the two day benchmark input files:\n\n```\ncd $CMAQ_DATA\nwget https://cmaq-release-benchmark-data-for-easy-download.s3.amazonaws.com/v5_5/CMAQv5.5_2018_12NE3_Benchmark_cracmm2_stage_2Day_Input.tar.gz\ntar xvzf CMAQv5.4_2018_12NE3_Benchmark_2Day_Input_CRACCM2.tar.gz\nmkdir ref_output\ncd ref_output\nwget https://cmaq-release-benchmark-data-for-easy-download.s3.amazonaws.com/v5_5/output_CCTM_v55_gcc_Bench_2018_12NE3_cracmm2_stage.tar.gz\ntar -xzvf output_CCTM_v55_gcc_Bench_2018_12NE3_cracmm2_stage.tar.gz\n\n```\n\n## Compiling CMAQ\n\n*Before proceeding, it should be noted that building the ICON and BCON executables are optional steps when working specifically with the benchmark data. This is because the initial condition and boundary condition files have been provided for you within the benchmark data set. For further information on these preprocessors please reference [Chapter 4](../CMAQ_UG_ch04_model_inputs.md).* \n\nCreate the model executables for CCTM using the steps shown below. \n\nCreate a bldit_cctm script for this benchmark and verify or modify the settings listed below.\n\n```\ncp bldit_cctm.csh bldit_cctm_cracmm2_stage.csh\nvi bldit_cctm_cracmm2_stage.csh\n```\n\n\n##### Configuration for multi-processor runs (default):\n\n```\nset ParOpt #> Option for MPI Runs\n````\n\n##### Configuration for single-processor runs (optional):\n\nFor single-processor computing, edit the CCTM build script (bldit_cctm.csh) to indicate a single-processor run by commenting out set ParOpt as shown below. \n\n```\n#set ParOpt #> Option for Single Processor Runs\n````\n\n#### Configure CMAQ benchmark Science Modules:\n\nThe build directory parameters for the benchmark test case include the following:\n\n- Multiprocessor simulation \n- 3-D Advection Scheme: wrf_cons\n- Horizontal diffusion: Multiscale\n- Vertical diffusion: ACM2_Stage\n- Deposition: STAGE\n- Chemistry solver: EBI\n- Aerosol module: cracmm\n- Cloud module: acm_craccm\n- Mechanism: cracmm2\n- Inline biogenic emissions\n- Inline plume rise\n\nTo configure these parameters, the CCTM Science Modules within the bldit_cctm.csh need to be set. The comments within the script itself should help guide the user on the options for each variable and how to set them. Further information on variable names can be found in \n[Appendix A](../Appendix/CMAQ_UG_appendixA_model_options.md).\n\n\n\nModify the dry deposition scheme to use STAGE instead of M3DRY\n```\n#> Set Dry Deposition Scheme to Stage\n\n set DepMod = stage\n```\n\nModify the Mechanism to use craccm2 instead of cb6r5\n\n```\n setenv Mechanism cracmm2 #> chemical mechanism (see $CMAQ_MODEL/CCTM/src/MECHS)\n```\n\n\nFollowing the requisite changes to the CCTM build script, use the following command to create the CCTM executable: \n\n```\ncd $CMAQ_HOME/CCTM/scripts\n./bldit_cctm_cracmm2_stage.csh [compiler] [version] |& tee bldit_cctm_cracmm2_stage.log\n```\n\nVerify that the BLD directory contains a namelist called\n\n```\nCMAQ_Control_STAGE.nml\n```\n\n## Configure the CCTM script \n\nFor an MPI configuration with 16 processors,\n\n```\ncd $CMAQ_HOME/CCTM/scripts\n```\n\nEdit the CCTM run script (run_cctm_Bench_2018_12NE3_CRACMM2.csh) for the MPI configuration and compiler that you will use:\n\n```\nsetenv compiler gcc\nsetenv compilerVrsn 9.5\nsetenv INPDIR ${CMAQ_DATA}/2018_12NE3\n@ NPCOL 8 ; @ NPROW = 4\n```\n\nMost clustered multiprocessor systems require a command to start the MPI run-time environment. The default CCTM run script uses the *mpirun* command. Consult your system administrator to find out how to invoke MPI when running multiprocessor applications.\n\nFor single-processor computing, set PROC to serial:\n\n```\nset PROC = serial\n```\n\nCCTM Science Configuration Options set to **Y** in the RunScript for the benchmark case include the following: \n\n- ```CTM_OCEAN_CHEM``` - use ocean halgoen chemistry and sea spray aerosol emissions\n- ```KZMIN``` - minimum eddy diffusivity in each grid cell determined by land use fraction\n- ```PX_VERSION``` - WRF PX land surface model \n- ```CTM_ABFLUX``` - bidirectional ammonia flux for online deposition velocities\n- ```CTM_BIDI_FERT_NH3``` - subtract fertilizer NH3 from emissions because it will be handled by the BiDi calculation\n- ```CTM_SFC_HONO``` - surface HONO interaction\n- ```CTM_GRAV_SETL``` - vdiff aerosol gravitational sedmentation\n- ```CTM_BIOGEMIS``` - online biogenic emissions\n\nTo configure these parameters, the Science Options within the $CMAQ_HOME/CCTM/scripts/run_cctm_Bench_2018_12NE3_CRACMM2.csh need to be set. The comments within the script itself should help guide the user on the options for each variable and how to set them. Further information on variable names can be found in \n[Appendix A](../Appendix/CMAQ_UG_appendixA_model_options.md).\n\nAfter configuring the MPI settings for your Linux system, check the rest of the script to ensure the correct path, date and names are used for the input data files. Per the note above, different Linux systems have different requirements for submitting MPI jobs. The command below is an example of how to submit the CCTM run script and may differ depending on the MPI requirements of your Linux system. \n\n```\n./run_cctm_Bench_2018_12NE3_CRACMM2.csh |& tee run_cctm_Bench_2018_12NE3_CRACMM2.log \n```\n\n## Confirm that the Benchmark Simulation Completed\n\nTo confirm that the benchmark case ran to completion view the run log file. For MPI runs, check each of the CTM_LOG_[ProcessorID]*.log files. A successful run will contain the following line at the bottom of the log(s):\n\n``>>----> Program completed successfully <----<<``\n\nNote: If you are running on multiple processors the log file for each processor is also moved from the $CMAQ_HOME/CCTM/scripts directory to the benchmark output directory: \n\n```\n$CMAQ_DATA/output_CCTM_v55_gcc_Bench_2018_12NE3_cracmm2_stage\n```\nand these log files have the name convention: \n\n```\nCTM_LOG_[ProcessorID].v55_[compiler]_[APPL]_[YYYYMMDD]\nCTM_LOG_[ProcessorID].v55_gcc_Bench_2018_12NE3_2day_20180702\n```\n\nThe benchmark output results will have been placed in the directory: \n\n```\n$CMAQ_DATA/output_CCTM_v55_gcc_Bench_2018_12NE3_cracmm2_stage\n```\n\nand can include upto 23 netCDF-type files: ACONC, AOD_DIAG, AELMO, APMVIS, B3GTS_S, BSOILOUT, BUDGET, CGRID, CONC, DEPV, DRYDEP, DUSTEMIS, LTNGCOL, LTNGHRLY, MEDIA_CONC, PHOTDIAG1, PHOTDIAG2, ELMO, PMVIS, SOILOUT, SSEMIS, VDIFF, VSED, WETDEP1, and WETDEP2.\n\n\nCommon errors in a CCTM simulation include the following:\n- Incorrect paths to input files. Look in the CCTM screen output (capture in your log file) for an Error message about an input file not being found. \n- Incorrect MPI implementation. A series of MPI errors at the end of the log file often indicate that the MPI job was not submitted correctly. \n\nCheck the last few lines of the CCTM output log for messages to help diagnose why the simulation did not complete.\n\n## Check the CMAQ Benchmark Results\n\nTo determine if CMAQ is correctly installed on your Linux system compare the results from your benchmark simulation to the reference output data downloaded from the CMAS Center. This data was generated on a Linux system with the following specifications:\n- Linux Kernel 3.10.0-514.el7.x86_64\n- Red Hat Enterprise Linux Server 7.3 (Maipo) (use command: cat /etc/os-release)\n- GNU GCC compiler version 9.1.0, 16 processors with OpenMPIv4.0.1 and I/O APIv3.2 tagged version 20200828\n- Debug mode turned off (```set Debug_CCTM``` commented out in $CMAQ_HOME/CCTM/scripts/bldit_cctm.csh)\n- CMAQv5.5\n\nThe CMAQv5.5 reference output data includes a set of CCTM_ACONC_\\*.nc files with layer 1 average model species concentrations for each model hour for 226 variables and a set of CCTM_WETDEP1_\\*.nc files with cumulative hourly wet deposition fluxes for an additional 136 variables. \n\nUse your netCDF evaluation tool of choice to evaluate your benchmark results. For example, [VERDI](https://www.cmascenter.org/verdi/) is a visualization tool to view CCTM results as tile plots. Statistical comparison of the results can be made with the I/O API Tools or R. \n\nNote, even with a successful installation and run of the benchmark case, some differences between your simulation and the reference data can occur due to differences in domain decomposition for multi-processor simulations as well as differences in compiler. These differences tend to manifest in upper layers of the model and are mostly found in predicting aerosol water (AH2O) and aerosol acidity (AH3OP), while differences are smaller for other key species like ASO4, ANO3, ACL, ALOO1, etc. These species have short atmospheric lifetimes with large changes in time and space derivatives or have model physics sensitive to small changes in concentration. Predicting these species is more sensitive to small changes in machine precision and accuracy.\n\n" }, { "path": "DOCS/Users_Guide/Tutorials/CMAQ_UG_tutorial_build_library_gcc.md", "content": "## Install netCDF-C\n\n### This tutorial assumes that you are using the C-shell, (csh or tcsh), GCC version 9.1.0, and OpenMPI 4.0.1\n\n1. To enter the csh shell you can type the following at the command line:\n\n```\ncsh\n```\n\n2. To verify what shell you are in\n\n```\necho $SHELL\n```\n\n3. If your compute server uses modules use the following command to see what packages are available\n\n```\nmodule avail\n```\n\n4. Load module environment for a compiler (Intel|GCC|PGI) and mpi package corresponding to that compiler (e.g. openmpi).\n\n```\nmodule load gcc9.1.0\nmodule load openmpi_4.0.1/gcc_9.1.0\n```\n\n5. Create a LIBRARY directory where you would like to install the libraries required for CMAQ\n\n```\n/[your_install_path]/LIBRARIES\n\n```\n\n6. Change directories to the new LIBRARIES Directory\n\n```\ncd /[your_install_path]/LIBRARIES\n```\n\n7. Download netCDF-C from the following website https://www.unidata.ucar.edu/downloads/netcdf/index.jsp\n\n```\nwget https://github.com/Unidata/netcdf-c/archive/refs/tags/v4.8.1.tar.gz\n```\n\n8. Untar the netCDF-C tar.gz file\n\n```\ntar -xzvf v4.8.1.tar.gz\n```\n\n9. Change directories into the extracted directory\n```\ncd netcdf-c-4.8.1\n```\n\n10. Review the installation instructions for netcdf-c-4.7.0 for building netCDF\n\n```\nmore INSTALL.md\n```\n\n11. Create a target installation directory that includes the loaded module environment name\n\n```\nmkdir ../netcdf\n```\n\n\n12. Run the configure --help command to see what settings can be used for the build.\n```\n./configure --help\n```\n\n13. Set the Compiler environment variables\n\nMake sure these compilers can be found.\n```\nwhich gfortran\nwhich gcc\nwhich g++\n```\nIf they are found, proceed to set the environment variables.\nThe paths will be dependent on your compute environment\nIf they are not found, reload your module (see above), or ask your system administrator for the paths to a compiler\n```\n\nsetenv FC gfortran\nsetenv CC gcc\nsetenv CXX g++\n```\n\n14. Run the configure command\n\n```\n./configure --prefix=$cwd/../netcdf --disable-dap\n```\nBuilding netCDF without the compression capabilities of netCDF4 can be done using the command\n\n```\n./configure --prefix=$cwd/../netcdf --disable-netcdf-4 --disable-dap\n```\n\nThis simpler installation can work for some applications, but the CMAQ ecosystem increasingly includes netCDF4 compression. For example, the cracmm1_aq 2018 benchmark and the MEGAN 3.2 preprocessor both require netCDF4. The error \"Attempt to use feature that was not turned on when netCDF was built\" suggests that your workflow requires netCDF4. If you need to build libraries that support netCDF4 please see tutorials for building netCDF4 in [Configuring your Environment](CMAQ_UG_tutorial_configure_linux_environment.md) \n\n15. Check that the configure command worked correctly, then run the install command\n\n```\nmake check install\n```\n\n16. Verify that the following message is obtained\n\n```\n| Congratulations! You have successfully installed netCDF! |\n```\n\n17. Change directories to one level up from your current directory\n```\ncd ..\n```\n\n## Install netCDF-Fortran\n\n1. Download netCDF-Fortran from the following website https://www.unidata.ucar.edu/downloads/netcdf/index.jsp\n\n```\nwget https://github.com/Unidata/netcdf-fortran/archive/refs/tags/v4.5.4.tar.gz\n```\n\n2. Untar the tar.gz file\n\n```\ntar -xzvf v4.5.4.tar.gz\n```\n\n3. Change directories to netcdf-fortran-4.5.4\n\n```\ncd netcdf-fortran-4.5.4\n```\n\n4. Review the installation document http://www.unidata.ucar.edu/software/netcdf/docs/building_netcdf_fortran.html\n\n\n5. Set the CC environment variable to use the gcc and gfortran compilers\n\n```\nwhich gfortran\nwhich gcc\nwhich g++\n\nsetenv FC gfortran\nsetenv CC gcc\nsetenv CXX g++\n```\n\n6. Set your LD_LIBRARY_PATH to include the netcdf-C library path for netCDF build\n\n```\nsetenv NCDIR $cwd/../netcdf\nsetenv LD_LIBRARY_PATH ${NCDIR}/lib:${LD_LIBRARY_PATH}\n```\n\n7. Check your LD_LIBRARY_PATH\n\n```\necho $LD_LIBRARY_PATH\n```\n\n8. Set the install directory for netCDF fortran (note it will be the same location as the install directory for netCDF C libraries)\n\n```\nsetenv NFDIR $cwd/../netcdf\n\nsetenv CPPFLAGS -I${NCDIR}/include\nsetenv LDFLAGS -L${NCDIR}/lib\nsetenv LIBS \"-lnetcdf\"\n```\n\n9. Run the configure command\n\n```\n./configure --disable-shared --prefix=${NFDIR}\n```\n\n10. Run the make check command\n\n```\nmake check\n```\n\nOutput if successful:\n\n```\nTestsuite summary for netCDF-Fortran 4.4.5\n==========================================\n# TOTAL: 6\n# PASS: 6\n```\n\nNote, this often fails, even if the library is ok.\n\n11. Run the make install command\n\n```\nmake install\n```\n\nOutput successful if you see Libraries have been installed in the install directory\n\n```\nls $cwd/../netcdf\n```\n\nIf you ever happen to want to link against installed libraries\nin a given directory, LIBDIR, you must either use libtool, and\nspecify the full pathname of the library, or use the '-LLIBDIR'\nflag during linking and do at least one of the following:\n - add LIBDIR to the 'LD_LIBRARY_PATH' environment variable\n during execution\n - add LIBDIR to the 'LD_RUN_PATH' environment variable\n during linking\n - use the '-Wl,-rpath -Wl,LIBDIR' linker flag\n - have your system administrator add LIBDIR to '/etc/ld.so.conf'\n\n\n12. set your LD_LIBRARY_PATH to include the netcdf-Fortran library path for netCDF build\n\n```\nsetenv NFDIR $cwd/../netcdf\nsetenv LD_LIBRARY_PATH ${NFDIR}/lib:${LD_LIBRARY_PATH}\n```\n\n13. Update the library bin directory path and LD_LIBRARY_PATH to use $NCDIR and $NFDIR to in your .cshrc.\n\nVerify the paths for $NCDIR and $NFDIR\n\n```\necho $NCDIR\necho $NFDIR\n```\n\n14. Edit the .cshrc file in your home directory to add the paths to the libraries.\nNote, in this case we installed both NetCDF C and NetCDF Fortran into the same location.\n\nvi ~/.cshrc\n\n```\n# start .cshrc\nset $NCDIR /your_path/netcdf\nset $NFDIR /your_path/netcdf\nset path = ($path $NCDIR\\bin $NFDIR\\bin )\nsetenv LD_LIBRARY_PATH ${NCDIR}/lib:${NFDIR}/lib:${LD_LIBRARY_PATH}\n```\n\n15. Source your updated .cshrc file by restarting the c-shell\n\n```\ncsh\n```\n\n\n## Install I/O API\nNote\nThe complete I/O API installation guide can be found at either of the following:\n\nhttps://www.cmascenter.org/ioapi/documentation/all_versions/html/AVAIL.html\n\nor\n\nhttps://cjcoats.github.io/ioapi/AVAIL.html\n\n1. Change directories to one level up from your current location\n```\ncd ../\n```\n\n2. Download I/O API\n\n```\ngit clone https://github.com/cjcoats/ioapi-3.2\n```\n\n3. change directories to the ioapi-3.2 directory\n```\ncd ioapi-3.2\n```\n\n2. Change branches to 20200828 for a tagged stable version\n\n```\ngit checkout -b 20200828\n```\n\n3. Change directories to the ioapi directory\n\n```\ncd ioapi\n```\n\n4. copy the Makefile.nocpl file to create a Makefile\n\n```\ncp Makefile.nocpl Makefile\n```\n\n\n5. Set the BIN environment variable to specify the compiler version used.\nThis will help future users identify what compiler version is compatible with this library.\n\n```\nsetenv BIN Linux2_x86_64gfort_gcc_9.1.0\n```\n\n6. Copy an existing Makeinclude file to have this BIN name at the end\n\n```\ncp Makeinclude.Linux2_x86_64gfort Makeinclude.Linux2_x86_64gfort_gcc_9.1.0\n\n```\n\n7. Edit the Makeinclude.Linux2_x86_64gfort_gcc_9.1.0 to comment out OMPFLAG and OMPLIBS \nsettings. This will remove the need to link the shared memory OPENMP libraries when compiling CMAQ and WRF-CMAQ.\n\n```\nOMPFLAGS = # -fopenmp\nOMPLIBS = # -fopenmp\n```\n\n8. Create a BIN directory where the library and m3tools executables will be installed\n\n```\nmkdir ../$BIN\n```\n\n9. Link the BIN directory to a the gfort BIN directory - this step is needed for WRF-CMAQ.\n\n```\ncd ../\nln -s Linux2_x86_64gfort_gcc_9.1.0 Linux2_x86_64gfort\n```\n\n10. Set the HOME environment variable to be your LIBRARY install directory and run the make command to compile and link the ioapi library\n\n```\ncd ioapi\nmake 'HOME=[your_install_path]/LIBRARIES' |& tee make.log\n```\n\n11. Change directories to the $BIN dir and verify that both the libioapi.a library was successfully built\n\n```\ncd ../$BIN\nls -lrt libioapi.a\n```\n\n12. If you need to do a make clean, to rebuild the I/O API Library, specify the HOME directory at the command line as follows\n\n```\ncd ../ioapi\nmake 'HOME=[your_install_path]/LIBRARIES' clean \n```\n\n12. Change directories to the m3tools directory\n```\ncd ../m3tools\n```\n\n13. Copy the Makefile.nocpl to create a Makefile\n```\ncp Makefile.nocpl Makefile\n```\n\n14. Edit line 65 of the Makefile to use the NCDIR and NFDIR environment variables that you have set in the above steps to locate the netcdf C and netcdf Fortran libraries\n\n```\n LIBS = -L${OBJDIR} -lioapi -L${NFDIR}/lib -lnetcdff -L${NCDIR}/lib -lnetcdf $(OMPLIBS) $(ARCHLIB) $(ARCHLIBS)\n ```\n\n15. Run make to compile the m3tools\n```\nmake 'HOME=[your_install_path]/LIBRARIES' |& tee make.log\n```\n\n16. Check to see that the m3tools have been installed successfully\n```\ncd ../$BIN\nls -rlt m3xtract\n```\n\n## Configure the CMAQ build environment\n\nThe user has two options for building an environment. She or he may build and run CMAQ components directly in the repository structure (object files and executables will be ignored with .gitignore), or they may extract the build and run scripts out of the repository and work in a separate location. If you would like to build directly in the repository, skip to \"Link the CMAQ Libraries\" below.\n\n### Build and run in a user-specified directory outside of the repository\nIn the top level of CMAQ_REPO, the bldit_project.csh script will automatically replicate the CMAQ folder structure and copy every build and run script out of the repository so that you may modify them freely without version control.\n\nIn bldit_project.csh, modify the variable $CMAQ_HOME to identify the folder that you would like to install the CMAQ package under. For example:\n```\nset CMAQ_HOME = [your_install_path]/CMAQ_v5.5\n```\n\nNow execute the script.\n```\n./bldit_project.csh\n```\n\n## Link the CMAQ Libraries\nThe CMAQ build scripts require the following libraries and INCLUDE files to be available in the CMAQ_LIB directory (Note: the CMAQ_LIB gets set automatically by the config_cmaq.csh script, where `CMAQ_LIB = $CMAQ_HOME/lib`):\n\n- netCDF C library files are located in the `$CMAQ_LIB/netcdf/lib` directory\n- netCDF Fortran library files are located in the `$CMAQ_LIB/netcdff/lib` directory\n- I/O API library, include files and module files are located in the `$CMAQ_LIB/ioapi` directory\n- MPI library and INCLUDE files are located in the `$CMAQ_LIB/mpi` directory\n\nThe config_cmaq.csh script will automatically link the required libraries into the CMAQ_LIB directory. Set the locations of the netCDF, I/O API, and MPI installations on your Linux system with the following config_cmaq.csh environment variables:\n\n- `setenv IOAPI_INCL_DIR`: the location of the I/O API include header files on your system.\n- `setenv IOAPI_LIB_DIR`: the location of compiled I/O API libraries on your system.\n- `setenv NETCDF_LIB_DIR`: the location of the netCDF C library installation on your system.\n- `setenv NETCDF_INCL_DIR`: the location of the netCDF C include files on your system.\n- `setenv NETCDFF_LIB_DIR`: the location of the netCDF Fortran library installation on your system.\n- `setenv NETCDFF_INCL_DIR`: the location of the netCDF Fortran include files on your system.\n- `setenv MPI_LIB_DIR`: the location of the MPI (OpenMPI or MVAPICH) on your system.\n\nFor example, if your netCDF C libraries are installed in /usr/local/netcdf/lib, set `NETCDF_LIB_DIR` to /usr/local/netcdf/lib. Similarly, if your I/O API library is installed in /home/cmaq/ioapi/Linux2_x86_64gfort, set `IOAPI_LIB_DIR` to /home/cmaq/ioapi/Linux2_x86_64gfort.\n\n*1.* Check the names of the I/O API and netCDF libraries using the `ioapi_lib` and `netcdf_lib` script variables.\n\n*2.* Check the name of the MPI library using the `mpi_lib` script variable. For MVAPICH use `-lmpich`; for openMPI use `-lmpi`.\n\nLinks to these libraries will automatically be created when you run any of the build or run scripts. To manually create these libraries (this is optional), execute the config_cmaq.csh script, identifying the compiler in the command line [intel | gcc | pgi]:\n```\nsource config_cmaq.csh [compiler]\n```\nYou may also identify the version of the compiler if you wish it to be identified in build directory and executable names. This is optional. For example:\n```\nsource config_cmaq.csh gcc 9.5\n```\n\n17. After successfull completion of this tutorial, the user is now ready to proceed to the [CMAQ Installation & Benchmarking Tutorial](./CMAQ_UG_tutorial_benchmark.md)\n\n\n" }, { "path": "DOCS/Users_Guide/Tutorials/CMAQ_UG_tutorial_build_library_gcc_support_nc4.md", "content": "## Follow these instructions to build the netCDF libraries for compressed netCDF-4, I/O API, and CMAQv5.5 \n\nThis tutorial is based on these instructions: [Installing netCDF](https://www.unidata.ucar.edu/software/netcdf/documentation/NUG/getting_and_building_netcdf.html)\n\n* netCDF requires the HDF5, zlib, and curl libraries. \n* This Tutorial is for the gcc 11.4.1 compiler. \n* For gcc 10 and above, use the -fallow-argument-mismatch argument (see alternative script and instructions for gcc 10 and above) \n\n## netCDF requires the HDF5, zlib, and curl libraries, these instructions use HDF5 1.10.5, zlib 1.3, and curl 8.11.0. \n\nThis Tutorial uses libarary install scripts that were created for the gcc 11.4 compiler, there are also scripts for intel 18.2 and intel 2024. These install scripts assume that you have environment modules available on your system, and that you can use a module load command to load the compiler and openmpi version. Different scripts are provided, as different options are required, such as for gcc 10 and above, requires using the -fallow-argument-mismatch argument
\n\nWhen building I/O API, as of Aug. 28, 2020, there are now new BIN=Linux\\*gfort10\\* types and corresponding Makeinclude.Linux\\*gfort10\\* that incorporate this flag for the I/O API and M3Tools. Please see the I/O API documentation: https://www.cmascenter.org/ioapi/documentation/all_versions/html/AVAIL.html
\n\nThe libraries can be installed using install scripts that are provided.\n\nInstall the netCDF libraries and their prerequisites for the compiler version that is available on your machine.\n\n\n### Create install directory\n\n```\nmkdir -p $cwd/CMAQv5.5/build\n```\n\n### Download the install scripts for the gcc version 11.4 compiler.\n\n```\ncd $cwd/CMAQv5.5/build\nwget https://github.com/USEPA/CMAQ/blob/main/DOCS/Users_Guide/Tutorials/scripts/cmaq_libraries/gcc_11.4_install_netcdf_for_nc4_compression.csh\nwget https://github.com/USEPA/CMAQ/blob/main/DOCS/Users_Guide/Tutorials/scripts/cmaq_libraries/gcc_11.4_install_ioapi_for_nc4_compression.csh\n```\n\nLoad the modules for your compiler and openmpi version and then run the library install script for the netcdf libraries.\n\n```\nmodule load openmpi_5.0.5/gcc_11.4.1 \n```\n\n### Run script to install the netcdf libraries:\n\n```\n./gcc_11.4_install_netcdf_for_nc4_compression.csh\n```\n\n### Run script to install the I/O API Library\n\n```\n./gcc_11.4_install_ioapi_for_nc4_compression.csh\n```\n\nNote, if you obtain the following error:\n\n```\ngit clone https://github.com/cjcoats/ioapi-3.2\nCloning into 'ioapi-3.2'...\nfatal: unable to access 'https://github.com/cjcoats/ioapi-3.2/': Protocol \"https\" not supported\n```\n\nThen use module purge as there is a conflict with the modules being loaded.\n\n```\nmodule purge\n```\n\nRe-run the git clone\n```\ncd LIBRARIES_gcc\ngit clone https://github.com/cjcoats/ioapi-3.2\ncd ../\n```\n\nThen re-run the install script above.\n\n```\n./gcc_install_ioapi_for_nc4_compression.csh\n```\n\nIf this is successful, you will see a stream of log messages including the m3tools program wrfwndw being compiled.\n\nOutput\n```\ncd /21dayscratch/scr/l/i/lizadams/WRF-CMAQ/CMAQv5.5/build/LIBRARIES_gcc/ioapi-3.2/Linux2_x86_64gfort; gfortran -I/21dayscratch/scr/l/i/lizadams/WRF-CMAQ/CMAQv5.5/build/LIBRARIES_gcc/ioapi-3.2/ioapi -I/21dayscratch/scr/l/i/lizadams/WRF-CMAQ/CMAQv5.5/build/LIBRARIES_gcc/ioapi-3.2/Linux2_x86_64gfort -DAUTO_ARRAYS=1 -DF90=1 -DFLDMN=1 -DFSTR_L=int -DIOAPI_NO_STDOUT=1 -DNEED_ARGS=1 -O3 -ffast-math -funroll-loops -m64 -DAUTO_ARRAYS=1 -DF90=1 -DFLDMN=1 -DFSTR_L=int -DIOAPI_NO_STDOUT=1 -DNEED_ARGS=1 -c /21dayscratch/scr/l/i/lizadams/WRF-CMAQ/CMAQv5.5/build/LIBRARIES_gcc/ioapi-3.2/m3tools/wrfwndw.f90\ncd /21dayscratch/scr/l/i/lizadams/WRF-CMAQ/CMAQv5.5/build/LIBRARIES_gcc/ioapi-3.2/Linux2_x86_64gfort; gfortran wrfwndw.o -L/21dayscratch/scr/l/i/lizadams/WRF-CMAQ/CMAQv5.5/build/LIBRARIES_gcc/ioapi-3.2/Linux2_x86_64gfort -lioapi -L/21dayscratch/scr/l/i/lizadams/WRF-CMAQ/CMAQv5.5/build/LIBRARIES_gcc/lib -lnetcdff -lnetcdf -lhdf5_hl -lhdf5 -lm -ldl -lz -lcurl -lnetcdf -fopenmp -dynamic -L/usr/lib64 -lm -lpthread -lc -o wrfwndw\n```\n\n\n### Create a private modules\nAdd the netCDF and I/O API modules following these instructions: [Custom Modules](https://researchcomputing.princeton.edu/support/knowledge-base/custom-modules)\n\nExample module files are available here:\n\n[Example Modules](https://cmaq-release-benchmark-data-for-easy-download.s3.amazonaws.com/index.html#v5_5/scripts/Modules/)\nYou would need to create the same directory structure, and edit the basedir in each module file to use your local directory. \n\nCreate a directory with the directory structure Modules/modulefiles/ [module name]\n\n### Create a module for ioapi-3.2\n\n```\nmkdir -p $cwd/Modules/modulefiles/ioapi-3.2\n```\n\nEdit the module name file to specify the PATH and LD_LIBARY_PATH.\n\nNext, create the module file and save it to the ioapi-3.2 directory \n\nExample:\n```\ncat gcc-11.4\n#%Module\n \nproc ModulesHelp { } {\n puts stderr \"This module adds ioapi-3.2/gcc-11.4 to your path\"\n}\n\nmodule-whatis \"This module adds ioapi-3.2/gcc-11.4 to your path\\n\"\n\nset basedir \"/proj/ie/proj/CMAS/CMAQ/CMAQv5.5/build/LIBRARIES_gcc/ioapi-3.2\"\nprepend-path PATH \"${basedir}/Linux2_x86_64gfort\"\nprepend-path LD_LIBRARY_PATH \"${basedir}/ioapi/fixed_src\"\n```\n\n### Create a module for netcdf\n\n```\nmkdir -p $cwd/Modules/modulefiles/netcdf-4.5.3-for_nc4 \n```\n\nNext, create the module file and save it to the netcdf-4.5.3-for_nc4 directory\n\n```\ncat gcc-11.4\n#%Module\n \nproc ModulesHelp { } {\n puts stderr \"This module adds netcdf-4.5.3-for_nc4/gcc-11.4 to your path\"\n}\n\nmodule-whatis \"This module adds netcdf-4.5.3-for_nc4/gcc-11.4 to your path\\n\"\n\nset basedir \"/proj/ie/proj/CMAS/CMAQ/WRF-CMAQv5.5/build/LIBRARIES_gcc\"\nprepend-path PATH \"${basedir}/bin\"\nprepend-path LD_LIBRARY_PATH \"${basedir}/lib\"\n```\n\n\n### Add module to .cshrc\nNow that the module files have been created, add the following line to your .cshrc\n\n```\nmodule use --append /proj/ie/proj/CMAS/CMAQ/CMAQv5.5/build/Modules/modulefiles\n```\n\n### Use module avail to see private modules\n\n```\nmodule avail\nmodule load netcdf-4.5.3-for_nc4/gcc-11.4 ioapi-3.2/gcc-11.4\n```\n\nNow you should see 4 modules loaded.\n\nmodule list\n\nOutput:\n```\nCurrently Loaded Modules:\n 1) openmpi_5.0.5/gcc_11.4.1 2) netcdf-4.5.3-for_nc4/gcc-11.4 3) ioapi-3.2/gcc-11.4\n```\n\n### To build and run for the CRACMM2 mechanism and stage dry deposition scheme see the following tutorial\n\n[CRACMM2 and Stage Tutorial](./CMAQ_UG_tutorial_benchmark_cracmm2_stage.md)\n\n### To build and run for the CB6r5 mechanism and m3dry deposition scheme see the following tutorial:\n\n[CMAQ Installation Tutorial for CRACMM2](./CMAQ_UG_tutorial_benchmark.md)\n\n### To build and run WRF-CMAQ see the following tutorial\n\n[WRF-CMAQ Tutorial](./CMAQ_UG_tutorial_WRF-CMAQ_Benchmark.md)\n\n\n\n### Note - for review only.\n\nIf you have successfully installed the netCDF, I/O API libraries and CMAQ, then YOU CAN STOP HERE, otherwise, you can go over the steps manually to see where an error has occurred in the above install scripts.\n\n\nThe following instructions go over the steps that were performed in the scripts above:\n\n\n###\n### unset environment variables that would conflict with this installation\n###\n\n```\n unsetenv LDFLAGS\n unsetenv CPPFLAGS\n```\n\n1. If your compute server uses modules use the following command to see what packages are available\n\n```\nmodule avail\n```\n2. Load module environment for a compiler (Intel|GCC|PGI) and mpi package corresponding to that compiler (e.g. openmpi).\n\n```\nmodule load openmpi_5.0.5/gcc_11.4.1\n```\n\n\n## Install zlib\n\n```\nsetenv INSTDIR $cwd/LIBRARIES_gcc\ncd $INSTDIR\n```\n\n```\nwget https://github.com/madler/zlib/releases/download/v1.3/zlib-1.3.tar.gz\n```\n\n```\n tar -xzvf zlib-1.3.tar.gz\n```\n\n```\ncd zlib-1.3\n```\n\n```\n./configure --prefix=${INSTDIR}\nmake -j 4\nmake install |& tee make.install.log\n```\n\n\n## Install curl (check first to determine if it is already installed)\n\n1. check to see if which is installed using\n\n```\ncurl --version\n```\n\n\n###IF it is not installed use the following steps to install it.\n\n```\ncd ${INSTDIR}\nwget https://github.com/curl/curl/releases/download/curl-8_11_0/curl-8.11.0.tar.gz\n```\n```\ntar -xzvf curl-8.11.0.tar.gz\n cd curl-8.11.0\n ./configure --prefix=${INSTDIR} --without-ssl --without-libpsl\n make |& tee make.curl.log\n make install |& tee make.install.curl.log\n```\n\n## Install HDF5\n\n```\n cd ${INSTDIR}\n wget https://support.hdfgroup.org/ftp/HDF5/releases/hdf5-1.10/hdf5-1.10.5/src/hdf5-1.10.5.tar.gz\n tar xvf hdf5-1.10.5.tar.gz\n rm -f hdf5-1.10.5.tar.gz\n cd hdf5-1.10.5\n setenv LDFLAGS \"-L${INSTDIR}/lib\"\n setenv CPPFLAGS \"-I${INSTDIR}/include\"\n setenv CFLAGS \"-O3\"\n setenv FFLAGS \"-O3\"\n setenv CXXFLAGS \"-O3\"\n setenv FCFLAGS \"-O3\"\n ./configure --prefix=${INSTDIR} --enable-fortran --enable-cxx --with-zlib=${INSTDIR}/include,${INSTDIR}/lib -enable-shared --enable-hl\n make -j 4 |& tee make.gcc.log\n# make check > make.gcc.check\n make install |& tee make.gcc.log\n```\n\n## Install netCDF-C\n\n\n1. cd ${INSTDIR}\n\n2. Download netCDF-C from the following website https://www.unidata.ucar.edu/downloads/netcdf/index.jsp\n\n```\nwget ftp://ftp.unidata.ucar.edu/pub/netcdf/netcdf-c-4.8.1.tar.gz\n```\n\n3. Untar the netCDF-C tar.gz file\n\n```\ntar -xzvf netcdf-c-4.8.1.tar.gz\n```\n\n4. Change directories into the extracted directory\n```\ncd netcdf-c-4.8.1\n```\n\n5. Review the installation instructions for netcdf-c-4.8.1 for building netCDF to support nc4 compression \n\n```\nmore INSTALL.md\n```\n\n\n6. Run the configure --help command to see what settings can be used for the build.\n```\n./configure --help\n```\n\n7. Set the Compiler environment variables\n\nMake sure these compilers can be found.\n```\nwhich gfortran\nwhich gcc\nwhich g++\n```\n\nIf they are found, proceed to set the environment variables.\nThe paths will be dependent on your compute environment\nIf they are not found, reload your module (see above), or ask your system administrator for the paths to a compiler\n\n```\nsetenv FC gfortran\nsetenv CC gcc\nsetenv CXX g++\n```\n\n8. Specify the CPPFLAGS and LDFLAGS to tell netCDF where to obtain the underlying libraries, without this, netCDF may be built with a different version of the underlying libraries, leading to an error when using netCDF. \n\n```\n setenv LDFLAGS \"-L${INSTDIR}/lib\"\n setenv CPPFLAGS \"-I${INSTDIR}/include\"\n```\n\n8. Run the configure command\n\n```\n./configure --with-pic --enable-netcdf-4 --enable-shared --prefix=${INSTALL_DIR}\n```\n\n9. Check that the configure command worked correctly, then run the install command\n\n```\nmake |& tee make.gcc9.log\nmake install\n```\n\n10. Verify that the following message is obtained\n\n```\n| Congratulations! You have successfully installed netCDF! |\n```\n\n## Install netCDF-Fortran\n\n1. Change directories\n\n```\ncd $INSTDIR\n```\n\n\n2. Download netCDF-Fortran from the following website https://www.unidata.ucar.edu/downloads/netcdf/index.jsp\n\n```\nwget ftp://ftp.unidata.ucar.edu/pub/netcdf/netcdf-fortran-4.5.3.tar.gz \n```\n\n3. Untar the tar.gz file\n\n```\ntar -xzvf netcdf-fortran-4.5.3.tar.gz\n```\n\n4. Change directories to netcdf-fortran-4.5.3\n\n```\ncd netcdf-fortran-4.5.3\n```\n\n5. Review the installation document http://www.unidata.ucar.edu/software/netcdf/docs/building_netcdf_fortran.html\n\n\n6. Set the CC environment variable to use the gcc and gfortran compilers\n\n```\nwhich gfortran\nwhich gcc\nwhich g++\n\nsetenv FC gfortran\nsetenv CC gcc\nsetenv CXX g++\n```\n\n7. Set your LD_LIBRARY_PATH to include the netcdf-C library path for netCDF build\n\n```\n setenv LIBS \"-L${INSTDIR}/lib -lnetcdf -lhdf5_hl -lhdf5 libhdf5_fortran libhdf5_fortran_hl -lm -ldl -lz -lcurl \"\n setenv NCDIR ${INSTDIR}\n setenv CPPFLAGS \"-I${INSTDIR}/include\"\n setenv LDFLAGS \"-L${INSTDIR}/lib\"\n setenv LD_LIBRARY_PATH ${INSTDIR}/lib:${LD_LIBRARY_PATH}\n```\n\n8. Check your LD_LIBRARY_PATH\n\n```\necho $LD_LIBRARY_PATH\n```\n\n9. Run the configure command\n\n```\n./configure --with-pic --enable-shared --prefix=${INSTDIR}\n```\n\n10. Run the make check command\n\n```\nmake check\n```\n\nOutput if successful:\n\n```\nTestsuite summary for netCDF-Fortran 4.4.5\n==========================================\n# TOTAL: 6\n# PASS: 6\n```\n\n11. Run the make install command\n\n```\nmake install\n```\n\nOutput successful if you see Libraries have been installed in the install directory\n\n```\nls ${INSTALL_DIR}/lib\n```\n\nIf you ever happen to want to link against installed libraries\nin a given directory, LIBDIR, you must either use libtool, and\nspecify the full pathname of the library, or use the '-LLIBDIR'\nflag during linking and do at least one of the following:\n - add LIBDIR to the 'LD_LIBRARY_PATH' environment variable\n during execution\n - add LIBDIR to the 'LD_RUN_PATH' environment variable\n during linking\n - use the '-Wl,-rpath -Wl,LIBDIR' linker flag\n - have your system administrator add LIBDIR to '/etc/ld.so.conf'\n\n\n12. set your LD_LIBRARY_PATH to include the netcdf-Fortran library path for netCDF build\n\n```\nsetenv NFDIR ${INSTALL_DIR}\nsetenv LD_LIBRARY_PATH ${NFDIR}/lib:${LD_LIBRARY_PATH}\n```\n(may need to add the NCDIR and NFDIR to .cshrc)\n\n## Install I/O API\nNote\nThe complete I/O API installation guide can be found at either of the following:\n\nhttps://www.cmascenter.org/ioapi/documentation/all_versions/html/AVAIL.html\n\nor\n\nhttps://cjcoats.github.io/ioapi/AVAIL.html\n\n1. Change directories to one level up from your current location\n\n```\ncd ../\n```\n\n2. Download I/O API\n\n```\ngit clone https://github.com/cjcoats/ioapi-3.2\n```\n\n3. change directories to the ioapi-3.2 directory\n\n```\ncd ioapi-3.2\n```\n\n4. Change branches to 20200828 for a tagged stable version\n\n```\ngit checkout -b 20200828\n```\n\n5. Change directories to the ioapi directory\n\n```\ncd ioapi\n```\n\n6. copy the Makefile.nocpl file to create a Makefile\n\n```\ncp Makefile.nocpl Makefile\n```\n\n7. Set the BIN environment variable \n\n```\nsetenv BIN Linux2_x86_64gfort\n```\n\n8. Edit the Makeinclude.Linux2_x86_64gfort to comment out OMPFLAG and OMPLIBS \nsettings. This will remove the need to link the shared memory OPENMP libraries when compiling CMAQ and WRF-CMAQ.\n\n```\nOMPFLAGS = #-fopenmp\nOMPLIBS = # -fopenmp\n```\n\n10. Create a BIN directory where the library and m3tools executables will be installed\n\n```\nmkdir ../$BIN\n```\n\n11. Set the HOME environment variable to be your LIBRARY install directory and run the make command to compile and link the ioapi library\n\n```\ncd ioapi\nmake 'HOME=[your_install_path]/LIBRARIES' |& tee make.log\n```\n\n12. Change directories to the $BIN dir and verify that both the libioapi.a library was successfully built\n\n```\ncd ../$BIN\nls -lrt libioapi.a\n```\n\n13. If you need to do a make clean, to rebuild the I/O API Library, specify the HOME directory at the command line as follows\n\n```\ncd ../ioapi\nmake 'HOME=[your_install_path]/LIBRARIES' clean \n```\n\n14. Change directories to the m3tools directory\n\n```\ncd ../m3tools\n```\n\n15. Copy the Makefile.nocpl to create a Makefile\n\n```\ncp Makefile.nocpl Makefile\n```\n\n16. Edit line 65 of the Makefile to use the NCDIR and NFDIR environment variables that you have set in the above steps to locate the netcdf C and netcdf Fortran libraries\n\n```\n LIBS = -L${OBJDIR} -lioapi -L${NFDIR}/lib -lnetcdff -L${NCDIR}/lib -lnetcdf $(OMPLIBS) $(ARCHLIB) $(ARCHLIBS)\n ```\n\n17. Run make to compile the m3tools\n\n```\nmake |& tee make.log\n```\n\n18. Check to see that the m3tools have been installed successfully\n\n```\ncd ../$BIN\nls -rlt m3xtract\n```\n\n20. Use test script to verify that the executables are working\n\n```\nmake test\n```\n\n## Install CMAQv55\n\n1. Download the CMAQv55 code using the following\n\n```\ngit clone -b 55 https://github.com/USEPA/CMAQ/cmaq.git CMAQ_REPO\n```\n\n2. Build and run in a user-specified directory outside of the repository\nIn the top level of CMAQ_REPO, the bldit_project.csh script will automatically replicate the CMAQ folder structure and copy every build and run script out of the repository so that you may modify them freely without version control.\n\nIn bldit_project.csh, modify the variable $CMAQ_HOME to identify the folder that you would like to install the CMAQ package under. For example:\n\nset CMAQ_HOME = [your_work_location]/CMAQv55\nNow execute the script.\n\n```\n./bldit_project.csh\n```\n\n\n3. Edit the config_cmaq.csh to specify the netCDF C, netCDF Fortran, and I/O API Library locations\n\n```\ncd [your_work_location]/CMAQv55\nvi config_cmaq.csh\n```\n\nEdit the case gcc section \nnote, the paths need to be edited to match the location for your installation\n\n```\n#> gfortran compiler............................................................\n case gcc:\n\n #> I/O API and netCDF for WRF-CMAQ \n setenv NCDIR /your_local_path/LIBRARIES/ # C netCDF install path\n setenv NFDIR /your_local_path/LIBRARIES/ # Fortran netCDF install path for CMAQ\n setenv NETCDF /your_local_path/LIBRARIES/ # Note only for WRF-CMAQ as it requires combining the netcdf C and netcdf F into a single directory. CMAQ users - dont change this setting\n setenv IOAPI /your_local_path/LIBRARIES/ioapi-3.2/ # I/O API \n setenv WRF_ARCH 34 # [1-75] Optional, ONLY for WRF-CMAQ \n\n #> I/O API, netCDF, and MPI library locations\n setenv IOAPI_INCL_DIR ${IOAPI}/ioapi/fixed_src #> I/O API include header files\n setenv IOAPI_LIB_DIR ${IOAPI}/Linux2_x86_64gfort #> I/O API libraries\n if ( $NETCDF == \"netcdf_combined_directory_path\" ) then\n setenv NETCDF_LIB_DIR ${NCDIR}/lib #> netCDF C directory path\n setenv NETCDF_INCL_DIR ${NCDIR}/include #> netCDF C directory path\n setenv NETCDFF_LIB_DIR ${NFDIR}/lib #> netCDF Fortran directory path\n setenv NETCDFF_INCL_DIR ${NFDIR}/include #> netCDF Fortran directory path\n endif\n\n setenv MPI_INCL_DIR /nas/sycamore/apps/openmpi/5.0.5/include #> MPI Include directory path\n setenv MPI_LIB_DIR /nas/sycamore/apps/openmpi/5.0.5/lib #> MPI Lib directory path\n```\n\n4. Source the config_cmaq.csh to create the lib directory\n\n```\nsource config_cmaq.csh\n```\n\n5. Copy the buildit script\n\n```\ncp bldit_cctm.csh bldit_cctmv55_cb6r5_m3dry/\n```\n\n6. Build CMAQv55 to support the cb6r5 and m3dry dry deposition option \n\n```\n./bldit_cctmv55_cb6r5_m3dry.csh gcc | & tee ./bldit_cctmv55_cb6r5_m3dry.log\n```\n\n7. Build the POST processing routines\n\n```\ncd POST/combine/\n./bldit_combine.csh gcc |& tee ./bldit_combine.gcc.log\n```\n\n```\ncd POST/calc_tmetric/scripts\n./bldit_calc_tmetric.csh gcc |& tee ./bldit_calc_tmetric.gcc.log\n```\n\n```\ncd POST/hr2day/scripts\n./bldit_hr2day.csh gcc |& tee ./bldit_hr2day.gcc.log\n```\n\n```\ncd POST/bldoverlay/scripts\n./bldit_bldoverlay.csh gcc |& tee ./bldit_bldoverlay.gcc.log\n```\n\n## Modify Benchmark Post-processing Scripts for your installation\n\n1. The POST/combine directory is available under the CMAQv55 directory. \nThese scripts will need to be edited \n\n```\nrun_combine.csh\n```\n\n2. Edit the scripts under to specify the APPL for this benchmark\n\n```\n set APPL = Bench_2018_12NE3 #> Application Name (e.g. Gridname)\n\n```\n\n3. Edit the start and end date.\n\n```\n set START_DATE = \"2016-07-01\" #> beginning date (July 1, 2016)\n set END_DATE = \"2016-07-14\" #> ending date (July 14, 2016)\n```\n\n\nAfter successfull completion of this tutorial, the user is now ready to proceed to the [CMAQ Installation & Benchmarking Tutorial](./CMAQ_UG_tutorial_benchmark.md).\n" }, { "path": "DOCS/Users_Guide/Tutorials/CMAQ_UG_tutorial_build_library_intel.md", "content": "## Install netCDF-C\n\n1. Download netCDF-C from the following website https://www.unidata.ucar.edu/downloads/netcdf/index.jsp\n\n```\nwget ftp://ftp.unidata.ucar.edu/pub/netcdf/netcdf-c-4.7.0.tar.gz\n```\n\n2. Untar the file \n\n```\ntar -xzvf netcdf-c-4.7.0.tar.gz\n```\n\n3. Change directories into the package\n```\ncd netcdf-c-4.7.0\n```\n\n3. Verify that no modules are currently loaded using module commands. \n\n```\nmodule list\n```\n\n4. See what modules are available on your compute server use the command: \n\n```\nmodule avail\n```\n\n5. Load module environment for a compiler (Intel|GCC|PGI) and mpi package corresponding to that compiler (e.g. openmpi).\n\n```\nmodule load intel18.2\nmodule load openmpi_3.1.4/intel_18.2\n```\n\n6. Review the installation instructions for netcdf-c-4.7.0 for building netCDF\n\n```\nmore INSTALL.md\n```\n\n7. Create a target installation directory that includes the loaded module environment name. \n\n```\nmkdir $cwd/netcdf-c-4.7.0-intel18.2\n```\n\n8. Run the configure --help command to see what settings can be used for the build.\n```\n./configure --help\n```\n\n9. Set the Compiler environment variables\n\nFirst find the path to the CC compiler on your system using the which command\n```\nwhich icc\n```\nNext, replace the following path in the setenv command below to use the path to your CC compiler\n\n```\nsetenv CC /urs/local/apps/intel/18.2/bin/icc\n```\n\nFind the path to the Fortran compiler on your ssystem using the which command\n```\nwhich ifort\n```\nNext, replace the following path in the setenv command below to use the path to the Fortran compiler on your system\n```\nsetenv FC /urs/local/apps/intel/18.2/bin/ifort\n```\n\nFind the path to the CXX compiler on your system using the which command\n```\nwhich icpc\n```\nNext, replace the following path in the setenv command below to use the path to the CXX compiler on your system:\n```\nsetenv CXX /urs/local/apps/intel/18.2/bin/icpc\n```\n\n10. Run the configure command\n\n```\n./configure --prefix=$cwd/../netcdf --disable-dap\n```\nBuilding netCDF without the compression capabilities of netCDF4 can be done using the command\n\n```\n./configure --prefix=$cwd/../netcdf --disable-netcdf-4 --disable-dap\n```\n\nThis simpler installation can work for some applications, but the CMAQ ecosystem increasingly includes netCDF4 compression. For example, the cracmm1_aq 2018 benchmark and the MEGAN 3.2 preprocessor both require netCDF4. The error \"Attempt to use feature that was not turned on when netCDF was built\" suggests that your workflow requires netCDF4. If you need to build libraries that support netCDF4 please see tutorials for building netCDF4 in [Configuring your Environment](CMAQ_UG_tutorial_configure_linux_environment.md)\n\n11. Check that the configure command worked correctly\n\n```\nmake check install |& tee make.install.log.txt\n```\n\n12. Verify that the following message is obtained at the end of your make.install.log.txt file\n\n```\n| Congratulations! You have successfully installed netCDF! |\n```\n\n## Install netCDF-Fortran\n\n1. Download netCDF-Fortran from the following website https://www.unidata.ucar.edu/downloads/netcdf/index.jsp\n\n```\nwget ftp://ftp.unidata.ucar.edu/pub/netcdf/netcdf-fortran-4.4.5.tar.gz \n```\n\n2. Untar the tar.gz file\n\n```\ntar -xzvf netcdf-fortran-4.4.5.tar.gz\n```\n\n3. Change directories to netcdf-fortran-4.4.5\n\n```\ncd netcdf-fortran-4.4.5\n```\n\n4. Make an install directory that matches the name of your loaded module environment\n\n```\nmkdir $cwd/netcdf-fortran-4.4.5-intel18.2\n```\n\n5. Review the installation document http://www.unidata.ucar.edu/software/netcdf/docs/building_netcdf_fortran.html\n\n6. Set the environment variable NCDIR\n\n```\nsetenv NCDIR $cwd/netcdf-c-4.7.0-intel18.2\n```\n\n7. Set the CC environment variable to use the intel compilers\n\nFirst find the path to the CC compiler on your system using the which command\n```\nwhich icc\n```\nNext, replace the following path in the setenv command below to use the path to your CC compiler\n```\nsetenv CC /urs/local/apps/intel/18.2/bin/icc\n```\nFind the path to the Fortran compiler on your ssystem using the which command\n```\nwhich ifort\n```\nNext, replace the following path in the setenv command below to use the path to the Fortran compiler on your system\n```\nsetenv FC /urs/local/apps/intel/18.2/bin/ifort\n```\nFind the path to the CXX compiler on your system using the which command\n```\nwhich icpc\n```\nNext, replace the following path in the setenv command below to use the path to the CXX compiler on your system:\n```\nsetenv CXX /urs/local/apps/intel/18.2/bin/icpc\n```\n\n8. Set your LD_LIBRARY_PATH to include the netcdf-C library path for netCDF build\n\n```\nsetenv NCDIR /home/netcdf-c-4.7.0-intel18.2\nsetenv LD_LIBRARY_PATH ${NCDIR}/lib:${LD_LIBRARY_PATH}\n```\n\n9. Check your LD_LIBRARY_PATH\n\n```\necho $LD_LIBRARY_PATH\n```\n\n10. Set the install directory for netCDF fortran\n\n```\nsetenv NFDIR /home/netcdf-fortran-4.4.5-intel18.2\nsetenv CPPFLAGS -I${NCDIR}/include\nsetenv LDFLAGS -L${NCDIR}/lib\n```\n\n11. check your LD_LIBRARY_PATH environment variable\n\n```\necho $LD_LIBRARY_PATH\n```\n\n12. Run the configure command\n\n```\n./configure --prefix=${NFDIR}\n```\n\n13. Run the make check command\n\n```\nmake check |& tee make.check.log.txt\n```\n\nOutput if successful:\n\n```\nTestsuite summary for netCDF-Fortran 4.4.5\n==========================================\n# TOTAL: 6\n# PASS: 6\n```\n\n14. Run the make install command\n\n```\nmake install |& tee ./make.install.log.txt\n```\n\nOutput successful if you see:\n\n```\nLibraries have been installed in:\n \n /home/netcdf-fortran-4.4.5-intel18.2\n\nIf you ever happen to want to link against installed libraries\nin a given directory, LIBDIR, you must either use libtool, and\nspecify the full pathname of the library, or use the '-LLIBDIR'\nflag during linking and do at least one of the following:\n - add LIBDIR to the 'LD_LIBRARY_PATH' environment variable\n during execution\n - add LIBDIR to the 'LD_RUN_PATH' environment variable\n during linking\n - use the '-Wl,-rpath -Wl,LIBDIR' linker flag\n - have your system administrator add LIBDIR to '/etc/ld.so.conf'\n```\n\n15. set your LD_LIBRARY_PATH to include the netcdf-Fortran library path for netCDF build\n\n```\nsetenv NFDIR /home/netcdf-fortran-4.4.5-intel18.2\nsetenv LD_LIBRARY_PATH ${NFDIR}/lib:${LD_LIBRARY_PATH}\n```\n(may need to add the NCDIR and NFDIR to .cshrc)\n\n## Install I/O API\n\nNote The complete I/O API installation guide can be found at either of the following:\n\nhttps://www.cmascenter.org/ioapi/documentation/all_versions/html/AVAIL.html\n\nor\n\nhttps://cjcoats.github.io/ioapi/AVAIL.html\n\n1. Download I/O API\n\n```\ngit clone https://github.com/cjcoats/ioapi-3.2\ncd ioapi-3.2 ! change directory to ioapi-3.2\ngit checkout -b 20200828 ! change branch to 20200828 for a tagged release version\n```\n\n2. Change the BIN setting on line 133 of the Makefile to include the loaded module name\n\ncd ioapi\ngedit Makefile\n\n```\nBIN = Linux2_x86_64ifort_openmpi_3.1.4_intel18.2\n```\n\n3. Change the NCFLIBS setting on line 141 of the Makefile to be\n\n```\nNCFLIBS = -lnetcdff -lnetcdf\n```\n\n4. Copy an existing Makeinclude file to have this BIN name at the end\n\n```\ncd ioapi\ncp Makeinclude.Linux2_x86_64ifort Makeinclude.Linux2_x86_64ifort_openmpi_3.1.4_intel18.2\n```\n\n5. Edit the Makeinclude file, lines 27 and 28 to comment out the openmmp flag\n\n```\nOMPFLAGS = # -qopenmp\nOMPLIBS = # -qopenmp\n```\n\n6. Set the environment variable BIN\n\n```\nsetenv BIN Linux2_x86_64ifort_openmpi_3.1.4_intel18.2\n```\n\n7. Create a BIN directory under the ioapi-3.2 directory\n```\ncd ..\nmkdir $BIN\n```\n\n8. Create a link to this $BIN directory for WRF-CMAQ\n\n```\nln -s Linux2_x86_64ifort_openmpi_3.1.4_intel18.2 Linux2_x86_64ifort\n```\n\n9. Link the netcdf-C and netcdf-Fortran library in the $BIN directory\n\n```\ncd $BIN\nln -s /home/netcdf-c-4.7.0-intel18.2/libnetcdff.a\nln -s /home/netcdf-fortran-4.4.5-intel18.2/libnetcdf.a\n```\n\n10. Run the make command, specifying the location of the ioapi-3.2 directory path to compile and link the ioapi library\n\n```\ncd ioapi\nmake 'HOME=[your_install_path]/LIBRARIES' |& tee make.log\n```\n\n11. Change directories to the $BIN dir and verify that both the libioapi.a and the m3tools were successfully built\n\n```\ncd $BIN\nls -lrt libioapi.a\nls -rlt m3xtract\n```\n\n12. If you need to do a make clean, to rebuild the I/O API Library, specify the HOME directory at the command line as follows\n\n```\ncd ../ioapi\nmake 'HOME=[your_install_path]/LIBRARIES' clean\n```\n\n13. After successfull completion of this tutorial, the user is now ready to proceed to the [CMAQ Installation & Benchmarking Tutorial](./CMAQ_UG_tutorial_benchmark.md). \n\n" }, { "path": "DOCS/Users_Guide/Tutorials/CMAQ_UG_tutorial_build_library_intel_support_nc4.md", "content": "## Follow these instructions to build the netCDF libraries for compressed netCDF-4, I/O API, and CMAQv5.5 \n\nThis tutorial is based on these instructions: [Installing NetCDF](https://www.unidata.ucar.edu/software/netcdf/documentation/NUG/getting_and_building_netcdf.html)\n\n* netCDF requires the HDF5, zlib, and curl libraries. \n* This Tutorial is for the intel 2024.2.1 compiler. \n\n## netCDF requires the HDF5, zlib, and curl libraries, these instructions use HDF5 1.14.3, zlib 1.3, and curl 8.11.1. \n\nThis Tutorial uses library install scripts that were created for the intel 2024.2.1 compiler that uses ifx instead of ifort, there are also scripts for gcc 11.2. These install scripts assume that you have environment modules available on your system, and that you can use a module load command to load the compiler and openmpi version. Different scripts are provided, as different options are required, such as for gcc 10 and above, requires using the -fallow-argument-mismatch argument
\n\nThe libraries can be installed using install scripts that are provided.\n\nInstall the netCDF libraries and their prerequisites for the compiler version that is available on your machine.\n\n\n### Create install directory\n\n```\nmkdir -p $cwd/CMAQv5.5/build\n```\n\n### Download the install scripts for the intel 2024 compiler.\n\n```\ncd $cwd/CMAQv5.5/build\nwget https://github.com/USEPA/CMAQ/blob/main/DOCS/Users_Guide/Tutorials/scripts/cmaq_libraries/intel_2024_install_netcdf_for_nc4_compression.csh\nwget https://github.com/USEPA/CMAQ/blob/main/DOCS/Users_Guide/Tutorials/scripts/cmaq_libraries/intel_2024_install_ioapi_for_nc4_compression.csh\n```\n\n\nLoad the modules for your compiler then run the library install script for the netcdf libraries.\n\n```\nmodule load intel/2024.2.1 \n```\n\n### Run script to install the netcdf libraries:\n\n```\n./intel_2024_install_netcdf_for_nc4_compression.csh\n```\n\n### Run script to install the I/O API Library\n\n```\n./intel_2024_install_ioapi_for_nc4_compression.csh\n```\n\nNote, if you obtain the following error:\n\n```\ngit clone https://github.com/cjcoats/ioapi-3.2\nCloning into 'ioapi-3.2'...\nfatal: unable to access 'https://github.com/cjcoats/ioapi-3.2/': Protocol \"https\" not supported\n```\n\nThen you will unload any modules using module purge. Then the git clone command should work.
\n\n```\nmodule purge\ncd LIBRARIES_intel\ngit clone https://github.com/cjcoats/ioapi-3.2\ncd ..\n```\n\nAfter the git clone has been successful then reload the modules\n\n```\nmodule load intel/2024.2.1 \n```\n\nThen re-run the install script above.\n\n```\n./intel_2024_install_ioapi_for_nc4_compression.csh\n```\n\nIf this is successful, you will see a stream of log messages including the m3tools program wrfwndw being compiled.\n\nOutput\n```\ncd /proj/ie/proj/CMAS/CMAQ/CMAQv5.5/build_sycamore/LIBRARIES_intel/ioapi-3.2/Linux2_x86_64ifx; ifx -auto -warn notruncated_source -Bstatic -static-intel -I/proj/ie/proj/CMAS/CMAQ/CMAQv5.5/build_sycamore/LIBRARIES_intel/ioapi-3.2/ioapi -I/proj/ie/proj/CMAS/CMAQ/CMAQv5.5/build_sycamore/LIBRARIES_intel/ioapi-3.2/Linux2_x86_64ifx -DIOAPI_NCF4=1 -DAUTO_ARRAYS=1 -DF90=1 -DFLDMN=1 -DFSTR_L=int -DIOAPI_NO_STDOUT=1 -DAVOID_FLUSH=1 -DBIT32=1 -O3 -unroll -stack-temps -safe-cray-ptr -convert big_endian -assume byterecl -traceback -DIOAPI_NCF4=1 -DAUTO_ARRAYS=1 -DF90=1 -DFLDMN=1 -DFSTR_L=int -DIOAPI_NO_STDOUT=1 -DAVOID_FLUSH=1 -DBIT32=1 -c /proj/ie/proj/CMAS/CMAQ/CMAQv5.5/build_sycamore/LIBRARIES_intel/ioapi-3.2/m3tools/wrfwndw.f90\ncd /proj/ie/proj/CMAS/CMAQ/CMAQv5.5/build_sycamore/LIBRARIES_intel/ioapi-3.2/Linux2_x86_64ifx; ifx -auto -warn notruncated_source -Bstatic -static-intel wrfwndw.o -L/proj/ie/proj/CMAS/CMAQ/CMAQv5.5/build_sycamore/LIBRARIES_intel/ioapi-3.2/Linux2_x86_64ifx -lioapi -L/proj/ie/proj/CMAS/CMAQ/CMAQv5.5/build_sycamore/LIBRARIES_intel/lib -lnetcdff -lnetcdf -lhdf5_hl -lhdf5 -lm -lcurl -lz -lsz -ldl -lm -lnetcdf -qopenmp -shared-intel -o wrfwndw\nifx: command line warning #10121: overriding '-static-intel' with '-shared-intel'\n\n```\n\n\n### Create a custom module\nAdd the netCDF and I/O API modules following these instructions: [Custom Modules](https://researchcomputing.princeton.edu/support/knowledge-base/custom-modules)\n\nExample module files are available here:\n\n[Example Modules](https://cmaq-release-benchmark-data-for-easy-download.s3.amazonaws.com/index.html#v5_5/scripts/Modules/)\nYou would need to create the same directory structure, and edit the basedir in each module file to use your local directory. \n\nCreate a directory with the directory structure Modules/modulefiles/ [module name]\n\n### Create a module for ioapi-3.2\n\n```\nmkdir -p $cwd/Modules/modulefiles/ioapi-3.2\n```\n\nEdit the module name file to specify the PATH and LD_LIBARY_PATH.\n\nNext, create the module file named intel-2024 and save it to the ioapi-3.2 directory \n\nExample:\n\n```\ncat intel-2024\n```\noutput:\n```\n#%Module\n \nproc ModulesHelp { } {\n puts stderr \"This module adds ioapi-3.2/intel-2024 to your path\"\n}\n\nmodule-whatis \"This module adds ioapi-3.2/intel-2024 to your path\\n\"\n\nset basedir \"/proj/ie/proj/CMAS/CMAQ/CMAQv5.5/build_sycamore/LIBRARIES_intel/ioapi-3.2\"\nprepend-path PATH \"${basedir}/Linux2_x86_64ifx\"\nprepend-path LD_LIBRARY_PATH \"${basedir}/ioapi/fixed_src\"\n```\n\n### Create a module for netcdf\n\n```\nmkdir -p $cwd/Modules/modulefiles/netcdf-4.5.3-for_nc4 \n```\n\nNext, create the module file and save it to the netcdf-4.5.3-for_nc4 directory\n\n```\ncat ifort-2024.2.1\n```\noutput:\n```\n#%Module\nproc ModulesHelp { } {\n puts stderr \"This module adds netcdf-4.5.3-for_nc4/ifort-2024.2.1 to your path\"\n}\n\nmodule-whatis \"This module adds netcdf-4.5.3-for_nc4/ifort-2024.2.1 to your path\\n\"\n\nset basedir \"/proj/ie/proj/CMAS/CMAQ/CMAQv5.5/build_sycamore/LIBRARIES_intel/\"\nprepend-path PATH \"${basedir}/bin\"\nprepend-path LD_LIBRARY_PATH \"${basedir}/lib\"\nmodule load intel/2024.2.1\n\n```\n\n\n### Add module to .cshrc\nNow that the module files have been created, add the following line to your .cshrc\n\n```\nmodule use --append /proj/ie/proj/CMAS/CMAQ/CMAQv5.5/build/Modules/modulefiles\n```\n\n### Use module avail to see custom modules, and then load them\n\n```\nmodule avail\nmodule load netcdf-4.5.3-for_nc4/ifort-2024.2.1 ioapi-3.2/intel-2024\n```\n\nNow you should see 3 modules loaded.\n\n```\nmodule list\n```\n\nOutput:\n```\nCurrently Loaded Modules:\n 1) intel/2024.2.1 2) netcdf-4.5.3-for_nc4/ifort-2024.2.1 3) ioapi-3.2/intel-2024\n\n```\n\n### To build and run for the CRACMM2 mechanism and stage dry deposition scheme see the following tutorial:\n\n[CMAQ Installation Tutorial for CRACMM2](CMAQ_UG_tutorial_benchmark_cracmm2_stage.md)\n\n### To build and run for the CB6r5 mechanism and m3dry deposition scheme see the following tutorial:\n\n[CMAQ Installation Tutorial for CRACMM2](CMAQ_UG_tutorial_benchmark.md)\n\n### To build and run WRF-CMAQ see the following tutorial\n\n[WRF-CMAQ Installation Tutorial](CMAQ_UG_tutorial_WRF-CMAQ_Benchmark.md)\n\n\n\n### Note - for review only.\nIf you have successfully installed the netCDF, I/O API libraries and CMAQ, then YOU CAN STOP HERE, otherwise, you can go over the steps manually to see where an error has occurred in the above install scripts.\n\n\nThe following instructions go over the steps that were performed in the scripts above:\n\n\n###\n### unset environment variables that would conflict with this installation\n###\n\n```\n unsetenv LDFLAGS\n unsetenv CPPFLAGS\n```\n\n1. If your compute server uses modules use the following command to see what packages are available\n\n```\nmodule avail\n```\n2. Load module environment for a compiler (Intel|GCC|PGI) and mpi package corresponding to that compiler (e.g. openmpi).\nNote, that mpirun is available with the intel 2024 compiler, so there isn't another module that needs to be loaded.\n\n```\nmodule load intel/2024.2.1 \n```\n\n\n## Install zlib\n\n```\nsetenv INSTDIR $cwd/LIBRARIES_intel\ncd $INSTDIR\n```\n\n```\nwget https://github.com/madler/zlib/releases/download/v1.3/zlib-1.3.tar.gz\n```\n\n```\n tar -xzvf zlib-1.3.tar.gz\n```\n\n```\ncd zlib-1.3\n```\n\n```\n./configure --prefix=${INSTDIR}\nmake -j 4\nmake install |& tee make.install.log\n```\n\n\n## Install curl (check first to determine if it is already installed)\n\n1. check to see if which is installed using\n\n```\ncurl --version\n```\n\n\n###IF it is not installed use the following steps to install it.\n\n```\ncd ${INSTDIR}\nwget https://github.com/curl/curl/releases/download/curl-8_11_0/curl-8.11.0.tar.gz\n```\n```\ntar -xzvf curl-8.11.0.tar.gz\n cd curl-8.11.0\n ./configure --prefix=${INSTDIR} --without-ssl --without-libpsl\n make |& tee make.curl.log\n make install |& tee make.install.curl.log\n```\n\n## Install HDF5\n\n```\n cd ${INSTDIR}\n wget https://support.hdfgroup.org/ftp/HDF5/releases/hdf5-1.10/hdf5-1.10.5/src/hdf5-1.10.5.tar.gz\n tar xvf hdf5-1.10.5.tar.gz\n rm -f hdf5-1.10.5.tar.gz\n cd hdf5-1.10.5\n setenv LDFLAGS \"-L${INSTDIR}/lib\"\n setenv CPPFLAGS \"-I${INSTDIR}/include\"\n setenv CFLAGS \"-O3\"\n setenv FFLAGS \"-O3\"\n setenv CXXFLAGS \"-O3\"\n setenv FCFLAGS \"-O3\"\n ./configure --prefix=${INSTDIR} --enable-fortran --enable-cxx --with-zlib=${INSTDIR}/include,${INSTDIR}/lib -enable-shared --enable-hl\n make -j 4 |& tee make.intel.log\n# make check > make.intel.check\n make install |& tee make.intel.log\n```\n\n## Install netCDF-C\n\n\n1. cd ${INSTDIR}\n\n2. Download netCDF-C from the following website https://www.unidata.ucar.edu/downloads/netcdf/index.jsp\n\n```\nwget ftp://ftp.unidata.ucar.edu/pub/netcdf/netcdf-c-4.8.1.tar.gz\n```\n\n3. Untar the netCDF-C tar.gz file\n\n```\ntar -xzvf netcdf-c-4.8.1.tar.gz\n```\n\n4. Change directories into the extracted directory\n```\ncd netcdf-c-4.8.1\n```\n\n5. Review the installation instructions for netcdf-c-4.8.1 for building netCDF to support nc4 compression \n\n```\nmore INSTALL.md\n```\n\n\n6. Run the configure --help command to see what settings can be used for the build.\n```\n./configure --help\n```\n\n7. Set the Compiler environment variables\n\nMake sure these compilers can be found.\n```\nwhich icx\nwhich ifx\nwhich icpx\n```\n\nIf they are found, proceed to set the environment variables.\nThe paths will be dependent on your compute environment\nIf they are not found, reload your module (see above), or ask your system administrator for the paths to a compiler\n\n```\nsetenv FC ifx\nsetenv CC icx\nsetenv CXX icpx\n```\n\n8. Specify the CPPFLAGS and LDFLAGS to tell netCDF where to obtain the underlying libraries, without this, netCDF may be built with a different version of the underlying libraries, leading to an error when using netCDF. \n\n```\n setenv LDFLAGS \"-L${INSTDIR}/lib\"\n setenv CPPFLAGS \"-I${INSTDIR}/include\"\n```\n\n8. Run the configure command\n\n```\n./configure --with-pic --enable-netcdf-4 --enable-shared --prefix=${INSTALL_DIR}\n```\n\n9. Check that the configure command worked correctly, then run the install command\n\n```\nmake |& tee make.intel.log\nmake install\n```\n\n10. Verify that the following message is obtained\n\n```\n| Congratulations! You have successfully installed netCDF! |\n```\n\n## Install netCDF-Fortran\n\n1. Change directories\n\n```\ncd $INSTDIR\n```\n\n\n2. Download netCDF-Fortran from the following website https://www.unidata.ucar.edu/downloads/netcdf/index.jsp\n\n```\nwget ftp://ftp.unidata.ucar.edu/pub/netcdf/netcdf-fortran-4.5.3.tar.gz \n```\n\n3. Untar the tar.gz file\n\n```\ntar -xzvf netcdf-fortran-4.5.3.tar.gz\n```\n\n4. Change directories to netcdf-fortran-4.5.3\n\n```\ncd netcdf-fortran-4.5.3\n```\n\n5. Review the installation document http://www.unidata.ucar.edu/software/netcdf/docs/building_netcdf_fortran.html\n\n\n6. Set the CC environment variable to use the ifx and icx (intel 2024) compilers\n\n```\nwhich ifx\nwhich icx\nwhich icpx\n\nsetenv FC ifx\nsetenv CC icx\nsetenv CXX icpx\n```\n\n7. Set your LD_LIBRARY_PATH to include the netcdf-C library path for netCDF build\n\n```\n setenv LIBS \"-L${INSTDIR}/lib -lnetcdf -lhdf5_hl -lhdf5 libhdf5_fortran libhdf5_fortran_hl -lm -ldl -lz -lcurl \"\n setenv NCDIR ${INSTDIR}\n setenv CPPFLAGS \"-I${INSTDIR}/include\"\n setenv LDFLAGS \"-L${INSTDIR}/lib\"\n setenv LD_LIBRARY_PATH ${INSTDIR}/lib:${LD_LIBRARY_PATH}\n```\n\n8. Check your LD_LIBRARY_PATH\n\n```\necho $LD_LIBRARY_PATH\n```\n\n9. Run the configure command\n\n```\n./configure --with-pic --enable-shared --prefix=${INSTDIR}\n```\n\n10. Run the make check command\n\n```\nmake check\n```\n\nOutput if successful:\n\n```\nTestsuite summary for netCDF-Fortran 4.4.5\n==========================================\n# TOTAL: 6\n# PASS: 6\n```\n\n11. Run the make install command\n\n```\nmake install\n```\n\nOutput successful if you see Libraries have been installed in the install directory\n\n```\nls ${INSTALL_DIR}/lib\n```\n\nIf you ever happen to want to link against installed libraries\nin a given directory, LIBDIR, you must either use libtool, and\nspecify the full pathname of the library, or use the '-LLIBDIR'\nflag during linking and do at least one of the following:\n - add LIBDIR to the 'LD_LIBRARY_PATH' environment variable\n during execution\n - add LIBDIR to the 'LD_RUN_PATH' environment variable\n during linking\n - use the '-Wl,-rpath -Wl,LIBDIR' linker flag\n - have your system administrator add LIBDIR to '/etc/ld.so.conf'\n\n\n12. set your LD_LIBRARY_PATH to include the netcdf-Fortran library path for netCDF build\n\n```\nsetenv NFDIR ${INSTALL_DIR}\nsetenv LD_LIBRARY_PATH ${NFDIR}/lib:${LD_LIBRARY_PATH}\n```\n(may need to add the NCDIR and NFDIR to .cshrc)\n\n## Install I/O API\nNote\nThe complete I/O API installation guide can be found at either of the following:\n\nhttps://www.cmascenter.org/ioapi/documentation/all_versions/html/AVAIL.html\n\nor\n\nhttps://cjcoats.github.io/ioapi/AVAIL.html\n\n1. Change directories to one level up from your current location\n\n```\ncd ../\n```\n\n2. Download I/O API\n\n```\ngit clone https://github.com/cjcoats/ioapi-3.2\n```\n\n3. change directories to the ioapi-3.2 directory\n\n```\ncd ioapi-3.2\n```\n\n4. Change branches to 20200828 for a tagged stable version\n\n```\ngit checkout -b 20200828\n```\n\n5. Change directories to the ioapi directory\n\n```\ncd ioapi\n```\n\n6. copy the Makefile.nocpl file to create a Makefile\n\n```\ncp Makefile.nocpl Makefile\n```\n\n7. Set the BIN environment variable \n\n```\nsetenv BIN Linux2_x86_64ifort\n```\n\n8. Edit the Makeinclude.Linux2_x86_64ifort to comment out OMPFLAG and OMPLIBS \nsettings. This will remove the need to link the shared memory OPENMP libraries when compiling CMAQ and WRF-CMAQ.\n\n```\nOMPFLAGS = #-fopenmp\nOMPLIBS = # -fopenmp\n```\n\n10. Create a BIN directory where the library and m3tools executables will be installed\n\n```\nmkdir ../$BIN\n```\n\n11. Set the HOME environment variable to be your LIBRARY install directory and run the make command to compile and link the ioapi library\n\n```\ncd ioapi\nmake 'HOME=[your_install_path]/LIBRARIES' |& tee make.log\n```\n\n12. Change directories to the $BIN dir and verify that both the libioapi.a library was successfully built\n\n```\ncd ../$BIN\nls -lrt libioapi.a\n```\n\n13. If you need to do a make clean, to rebuild the I/O API Library, specify the HOME directory at the command line as follows\n\n```\ncd ../ioapi\nmake 'HOME=[your_install_path]/LIBRARIES' clean \n```\n\n14. Change directories to the m3tools directory\n\n```\ncd ../m3tools\n```\n\n15. Copy the Makefile.nocpl to create a Makefile\n\n```\ncp Makefile.nocpl Makefile\n```\n\n16. Edit line 65 of the Makefile to use the NCDIR and NFDIR environment variables that you have set in the above steps to locate the netcdf C and netcdf Fortran libraries\n\n```\n LIBS = -L${OBJDIR} -lioapi -L${NFDIR}/lib -lnetcdff -L${NCDIR}/lib -lnetcdf $(OMPLIBS) $(ARCHLIB) $(ARCHLIBS)\n ```\n\n17. Run make to compile the m3tools\n\n```\nmake |& tee make.log\n```\n\n18. Check to see that the m3tools have been installed successfully\n\n```\ncd ../$BIN\nls -rlt m3xtract\n```\n\n20. Use test script to verify that the executables are working\n\n```\nmake test\n```\n\n## Install CMAQv55\n\n1. Download the CMAQv55 code using the following\n\n```\ngit clone -b 55 https://github.com/USEPA/CMAQ/cmaq.git CMAQ_REPO\n```\n\n2. Build and run in a user-specified directory outside of the repository\nIn the top level of CMAQ_REPO, the bldit_project.csh script will automatically replicate the CMAQ folder structure and copy every build and run script out of the repository so that you may modify them freely without version control.\n\nIn bldit_project.csh, modify the variable $CMAQ_HOME to identify the folder that you would like to install the CMAQ package under. For example:\n\nset CMAQ_HOME = [your_work_location]/CMAQv55\nNow execute the script.\n\n```\n./bldit_project.csh\n```\n\n\n3. Edit the config_cmaq.csh to specify the netCDF C, netCDF Fortran, and I/O API Library locations\n\n```\ncd [your_work_location]/CMAQv55\nvi config_cmaq.csh\n```\n\nEdit the case intel section \nnote, the paths need to be edited to match the location for your installation\n\n```\n#> Intel fortran compiler......................................................\n case intel:\n setenv BUILD /proj/ie/proj/CMAS/CMAQ/CMAQv5.5/build_sycamore/LIBRARIES_intel\n setenv MPI /nas/sycamore/apps/intel/2024.2.1/intel/oneapi/mpi/latest\n\n\n #> I/O API, netCDF Library Locations -- used in WRF-CMAQ\n setenv NETCDF netcdf_root_intel # Note please combine netCDF-C & Fortran Libraries \n setenv IOAPI ioapi_root_intel\n setenv WRF_ARCH # [1-75] \n\n #> I/O API, netCDF, and MPI Library Locations -- used in CMAQ\n setenv IOAPI_INCL_DIR $BUILD/ioapi-3.2/ioapi/fixed_src #> I/O API include header files\n setenv IOAPI_LIB_DIR $BUILD/ioapi-3.2/Linux2_x86_64ifx #> I/O API libraries\n setenv NETCDF_LIB_DIR $BUILD/lib #> netCDF C directory path\n setenv NETCDF_INCL_DIR $BUILD/include #> netCDF C directory path\n setenv NETCDFF_LIB_DIR $BUILD/lib #> netCDF Fortran directory path\n setenv NETCDFF_INCL_DIR $BUILD/include #> netCDF Fortran directory path\n setenv MPI_INCL_DIR $MPI/include #> MPI Include directory path\n setenv MPI_LIB_DIR $MPI/lib #> MPI Lib directory path\n\n #> Compiler Aliases and Flags\n #> set the compiler flag -qopt-report=5 to get a model optimization report in the build directory with the optrpt extension\n setenv myFC mpiifx\n setenv myCC icx\n #setenv myFSTD \"-O3 -fno-alias -mp1 -fp-model source -ftz -simd -align all -xHost -vec-guard-write -unroll-aggressive\"\n setenv myFSTD \"-O3 -fno-strict-aliasing\"\n setenv myDBG \"-O0 -g -check bounds -check uninit -fpe0 -fno-alias -ftrapuv -traceback\"\n setenv myLINK_FLAG #\"-qopenmp-simd\" openMP not supported w/ CMAQ\n setenv myFFLAGS \"-fixed -132\"\n setenv myFRFLAGS \"-free\"\n setenv myCFLAGS \"-O2\"\n setenv extra_lib \"-lhdf5_hl -lhdf5 -lm -lzip -lcurl -lz -lsz -ldl -lm -fpp -auto -qopenmp\"\n\n breaksw\n```\n\n4. Source the config_cmaq.csh to create the lib directory\n\n```\nsource config_cmaq.csh\n```\n\n5. Copy the buildit script\n\n```\ncp bldit_cctm.csh bldit_cctmv55_cb6r5_m3dry/\n```\n\n6. Build CMAQv55 to support the cb6r5 and m3dry dry deposition option \n\n```\n./bldit_cctmv55_cb6r5_m3dry.csh intel | & tee ./bldit_cctmv55_cb6r5_m3dry.log\n```\n\n7. Build the POST processing routines\n\n```\ncd POST/combine/\n./bldit_combine.csh intel |& tee ./bldit_combine.intel.log\n```\n\n```\ncd POST/calc_tmetric/scripts\n./bldit_calc_tmetric.csh intel |& tee ./bldit_calc_tmetric.intel.log\n```\n\n```\ncd POST/hr2day/scripts\n./bldit_hr2day.csh intel |& tee ./bldit_hr2day.intel.log\n```\n\n```\ncd POST/bldoverlay/scripts\n./bldit_bldoverlay.csh intel |& tee ./bldit_bldoverlay.intel.log\n```\n\n## Modify Benchmark Post-processing Scripts for your installation\n\n1. The POST/combine directory is available under the CMAQv55 directory. \nThese scripts will need to be edited \n\n```\nrun_combine.csh\n```\n\n2. Edit the scripts under to specify the APPL for this benchmark\n\n```\n set APPL = Bench_2018_12NE3 #> Application Name (e.g. Gridname)\n\n```\n\n3. Edit the start and end date.\n\n```\n set START_DATE = \"2016-07-01\" #> beginning date (July 1, 2016)\n set END_DATE = \"2016-07-14\" #> ending date (July 14, 2016)\n```\n\nAfter successfull completion of this tutorial, the user is now ready to proceed to the [CMAQ Installation & Benchmarking Tutorial](./CMAQ_UG_tutorial_benchmark.md).\n" }, { "path": "DOCS/Users_Guide/Tutorials/CMAQ_UG_tutorial_chemicalmechanism.md", "content": "## CMAQ Tutorial ##\n\nAuthor: Elyse Pennington (epenning@caltech.edu) | v5.3 \nUpdate: Ben Murphy | v5.4 \n\n### Modifying a Chemical Mechanism in CMAQ ###\n\n\nGoal: Modify the gas- and aerosol-phase chemical mechanisms in CMAQ, create new solver source code files, and propagate all the changes in Github. This tutorial includes examples with expected impacts on SOA precursors and products, and is not expected to have substantial impacts on ozone or other radical chemistry. Caution: If significant modifications are made to the gas-phase mechanism that alter the radical balance, the ebi implementation of the modified mechanism should be checked against an alternative solver such as ros3 or smvgear. This example does not include extensive modifications of that nature. \n\n### Files to generate or edit ##\n1. mech_*.def\n2. GC namelist\n3. AE namelist\n4. NR namelist\n5. CMAQ_Control_DESID_*.nml namelist\n6. AERO_DATA.F\n7. SOA_DEFN.F\n8. hlconst.F\n9. BIOG_EMIS.F\n10. SpecDef_*.txt (if not using ELMO-supported variables)\n11. SpecDef_Dep_*.txt\n12. ELMO_PROC.F\n\n### Key Utilities \n1. chemmech (see [documentation][link_1])\n2. create_ebi (see [documentation][link_2])\n*Note that these utilities are automatically run by the Autochem feature of the bldit_cctm.csh script, if it is activated.\n\n\n## 1. Modifying the chemical mechanism inputs ##\n### 1.1 See the [git instructions](#github) below if you would like to propagate the chemical mechanism changes in your Github repository. If you are assigning a new name to your mechanism, create a new folder under /$CMAQ_REPO/CCTM/src/MECHS and copy and update the names of all chemical namelist files, the mech_*.def file, the CMAQ_Control_DESID_*.nml namelist, and the SpecDef_*.txt file, if desired. \n\n\n\n### 1.2 Edit mech_*.def.\nThe mech_*.def file lists all of CMAQ chemical reactions and is located at /$CMAQ_REPO/CCTM/src/MECHS/${mechanism}/mech_/${mechanism}.def. The [chemmech documentation][link_1] describes formats for reaction rate constants dependent on temperature, atmospheric number density, water vapor, sunlight, model species and constants such as oxygen and methane mixing ratios. The documentation also gives a more detailed explanation of the mech.def (mechanism definitions) sections and formatting rules.\n- All reactions must begin with a name in < > brackets.\n- All reactions must end with # followed by a reaction rate constant with units of cm3/(molecules s)\n- In this tutorial, all reactions regenerate the oxidant.\n\nIn this example, we add an Odum 2-product model to the **cb6r5_ae7_aq** chemical mechanism by reacting a gas-phase precursor (TPROD) with OH to form two semivolatile gas-phase species (SVTPROD1, SVTPROD2) with alpha values of 0.15 and 0.8 by mole and a rate constant of 4.5 x 10^-11 cm3/(molecules s):\n```\n TPROD + OH = OH + 0.15 * SVTPROD1 + 0.80 * SVTPROD2 #4.50E-11;\n```\nTo form a nonvolatile, accumulation mode SOA species (ANONVJ) from a gas-phase IVOC species (NONVG) with an SOA yield of 5% by mole and a rate constant of 2 x 10-11 cm3/(molecules s):\n```\n NONVG + OH = OH + 0.05 * ANONVJ #2.00E-11;\n```\n\n\n\n### 1.3 Edit GC namelist.\nThe GC namelist defines gas-phase species and their physical and chemical properties. It is located at /$CMAQ_REPO/CCTM/src/MECHS/${mechanism}/GC_${mechanism}.nml.\nYou must add a new row for every gas-phase species that was added to [mech.def](#mech_def). See [Chapter 4](../CMAQ_UG_ch04_model_inputs.md) for more information.\nTPROD, SVTPROD1, SVTPROD2, and NONVG from the examples above must be added to the GC namelist because they are gas-phase species. Column descriptions can be found in [Chapter 4](../CMAQ_UG_ch04_model_inputs.md). In this example, TPROD does not participate in dry deposition - similar to many other VOCs in CMAQ - so 'DRYDEP SURR' and 'DDEP' are empty and FAC is -1. NONVG (an IVOC as defined above), SVTPROD1, and SVTPROD2 do participate in dry deposition because of their low volatilities. This tutorial does not explain the process of creating new dry deposition surrogates, but it is possible to do so and replace 'VD_GEN_ALD'. The WET-SCAV SURR are described in the [hlconst.F](#hlconst) section below. 'GC2AE SURR' lists the species that partition between gas and aerosol phases in [SOA_DEFN.F](#SOA_DEFN).\n```\n!SPECIES ,MOLWT ,IC ,IC_FAC ,BC ,BC_FAC ,DRYDEP SURR ,FAC ,WET-SCAV SURR ,FAC ,GC2AE SURR ,GC2AQ SURR,TRNS ,DDEP ,WDEP ,CONC\n'SVTPROD1' ,216.66 ,'' ,-1 ,'' ,-1 ,'VD_GEN_ALD' , 1 ,'SVTPROD1' , 1 ,'SVTPROD1' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'SVTPROD2' ,182.66 ,'' ,-1 ,'' ,-1 ,'VD_GEN_ALD' , 1 ,'SVTPROD2' , 1 ,'SVTPROD2' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'TPROD' ,168.66 ,'' ,-1 ,'' ,-1 ,'' ,-1 ,'TPROD' , 1 ,'' ,'' ,'Yes' ,'' ,'Yes' ,'Yes',\n'NONVG' ,119.54 ,'' ,-1 ,'' ,-1 ,'VD_GEN_ALD' , 1 ,'NONVG' , 1 ,'' ,'' ,'Yes' ,'Yes' ,'Yes' ,'Yes'\n```\n\n\n\n\n### 1.4 Edit AE namelist.\nThe AE namelist defines all aerosol-phase species and their physical and chemical properties and is located at /$CMAQ_REPO/CCTM/src/MECHS/${mechanism}/AE_${mechanism}.nml\nYou must add a new row for every aerosol-phase species added to [AERO_DATA.F](#AERO_DATA). See [Chapter 4](../CMAQ_UG_ch04_model_inputs.md) for more information.\nANONV and the aerosol products from the Odum 2-product model must be added to the AE namelist. The semivolatile Odum 2-product species (SVTPROD1 and SVTPROD2) partition between the gas and accumulation mode aerosol phase with ATPROD1 and ATPROD2. Column descriptions can be found in [Chapter 4](../CMAQ_UG_ch04_model_inputs.md). The aerosol species names should omit any suffix indicating the particle mode of the species (e.g. i, j, or k). Instead, users should indicate which modes the species is in using the 'Aitken', 'Accum', and 'Coarse' columns. \n```\n!SPECIES ,MOLWT ,Aitken ,Accum ,Coarse ,IC ,IC_FAC ,BC ,BC_FAC ,DRYDEP SURR ,FAC ,WET-SCAV SURR ,FAC ,AE2AQ SURR ,TRNS ,DDEP ,WDEP ,CONC\n'ATPROD1' ,216.66 ,F ,T ,F ,'' ,-1 ,'' ,-1 ,'VMASSJ' , 1 ,'ORG_ACCUM' , 1 ,'SOA_ACCUM' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ATPROD2' ,182.66 ,F ,T ,F ,'' ,-1 ,'' ,-1 ,'VMASSJ' , 1 ,'ORG_ACCUM' , 1 ,'SOA_ACCUM' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n'ANONV' ,135.54 ,F ,T ,F ,'' ,-1 ,'' ,-1 ,'VMASSJ' , 1 ,'ORG_ACCUM' , 1 ,'SOA_ACCUM' ,'Yes' ,'Yes' ,'Yes' ,'Yes',\n```\n\n\n### 1.5 Edit NR namelist.\nThe NR namelist defines gas-phase species that are not in the mech.def file, and their physical and chemical properties. Species in this file are typically the semivolatile gases that partition between the gas- and aerosol-phases. It is located at /$CMAQ_REPO/CCTM/src/MECHS/${mechanism}/NR_${mechanism}.nml.\nYou must add a new row for every nonreactive species, if any, added to the chemical mechanism that is not explicitly modeled in [mech.def](#mech_def). See [Chapter 4](../CMAQ_UG_ch04_model_inputs.md) for descriptions of the information in each column.\nThe examples used in this tutorial do not include species that need to be added to the NR namelist. Follow the sesquiterpene SOA formation mechanism as an example of NR species (e.g. follow SESQRXN, SVSQT, and ASQTJ in /$CMAQ_REPO/CCTM/src/MECHS/${mechanism}/ and /$CMAQ_REPO/CCTM/src/aero/aero6/). If an aerosol species is added via the NR namelist, its name must (for now) include the suffix denoting the size of the mode the species is active in (i.e. i, j, or k).\n\n\n\n\n### 1.6 Edit DESID Chemical Mapping Control file.\nThe DESID Chemical Mapping Control file describes how to input emissions and is located at /$CMAQ_REPO/CCTM/src/MECHS/${mechanism}/CMAQ_Control_DESID_${mechanism}.nml. Any new species included in the mech_*.def or GC, AE, and NR namelists that is directly emitted should be included in this file. Examples of adding new species are given in the [DESID tutorial](CMAQ_UG_tutorial_emissions.md).\n\n\n\n\n### 1.7 Edit SpecDef file.\nThe SpecDef file is used to aggregate CMAQ output species (e.g. into PM2.5) and convert units. It is used to run the post-processing tool [combine](../../../POST/combine/README.md) and is located at /$CMAQ_REPO/CCTM/src/MECHS/${mechanism}/SpecDef_{mechanism}.txt.\nTo convert the units of a gas-phase species to ppb, add the following line:\n```\nNEWGAS ,ppbV ,1000.*NEWGAS[1]\n```\nTo add a new species to OA mass, add it to the appropriate POA or SOA variables. For example, to add a new SOA accumulation-mode aerosol species ANEWJ, include '+ANEWJ[1]' in ASOMJ. This change will be reflected in subsequent variable definitions that use ASOMJ.\n\nIf your simulation domain is an urban area, move AGLYJ from AORGB (biogenic VOC-derived aerosol) to AORGA (anthropogenic VOC-derived SOA).\n\nIn some cases you may want to remove pcSOA from your SOA. In this case, you must create new variables with APCSOJ subtracted. For example, to calculate PM1 SOA without pcSOA, update the following variables:\n```\nAOMJ_MP ,ug m-3 ,APOMJ[0] + ASOMJ[0] - APCSOJ[1]\nATOTJ_MP ,ug m-3 ,ASO4J[1]+ANO3J[1]+ANH4J[1]+ANAJ[1]+ACLJ[1] \\\n +AECJ[1]+AOMJ_MP[0]+AOTHRJ[1]+AFEJ[1]+ASIJ[1] \\\n +ATIJ[1]+ACAJ[1]+AMGJ[1]+AMNJ[1]+AALJ[1]+AKJ[1]\nPM1_TOT_MP ,ug m-3 ,ATOTI[0]*PM1AT[3]+ATOTJ_MP[0]*PM1AC[3]+ATOTK[0]*PM1CO[3]\n```\nTo update the OC variables or the deposition of OC variables in the SpecDef_Dep_{mechanism}.txt file, you must know the OM:OC ratios of the new organic aerosol species.\n\nIn CMAQv5.5, the new Explicit and Lumped CMAQ Model Output (ELMO) module performs all of the aerosol processing online in CMAQ, so that variables like organic aerosol mass and PM2.5 mass are output directly from the model to files with prefixes CCTM_ELMO_ and CCTM_AELMO_, for instantaneous and averaged values respectively. FOr more information, see the [ELMO documentation](../Appendix/CMAQ_UG_appendixF_elmo_output.md).\n\n\n\n\n### 1.8 Edit SOA_DEFN.F\nSOA_DEFN.F describes SOA precursors, SOA species and their properties dealing with gas to particle partitioning. It is located at /$CMAQ_REPO/CCTM/src/aero/aero6/SOA_DEFN.F. Note that the aero7 and cracmm directories are linked to the aero6 directory.\n\nYou must add a row for every new SOA species and increase **n_oa_list** by the number of species added to the list (in this tutorial you would add 3).\n\nTo add semivolatile species that partition between the gas and aerosol phases (with a gas-phase species defined in the [GC namelist](#GCnml)), include their effective saturation concentrations (C*) and enthalpies of vaporization. In this example, ATPROD1 (nominally biogenic) has the corresponding gas-phase species SVTPROD1 and has C* = 0.95 ug/m3 and enthalpy of vaporization = 131 J/mol. ATPROD2 has the corresponding gas-phase species SVTPROD2 and has C* = 485 ug/m3 and enthalpy of vaporization = 101 J/mol:\n```\n& oa_type('ATPROD1', 'SVTPROD1', ' ', 0.0000, 0.95, 131.0E3, 0.400, 1.67, F, F, T, F ),\n& oa_type('ATPROD2', 'SVTPROD2', ' ', 0.0000, 485.00, 101.0E3, 0.333, 1.57, F, F, T, F )\n```\nTo add a nonvolatile aerosol species (assumed anthropogenic):\n```\n& oa_type('ANONV ', ' ', ' ', 0.0000, 1.E-10, 1.0E0, 0.667, 2.00, F, F, F, T )\n```\nNote that these aerosol definitions do not include a specification of the size bin they fall into. That is added automatically within CMAQ. The last four true/false fields identify the species as POA, anthropogenic, biogenic, and nonvolatile. These fields are used in ELMO calculations of aggregate values like BSOA and ASOA.\n\n\n\n\n### 1.9 Edit AERO_DATA.F\nAERO_DATA.F defines all aerosol species and some of their properties. It is located at /$CMAQ_REPO/CCTM/src/aero/aero6/AERO_DATA.F. Note that the aero7 and cracmm directories are linked to the aero6 directory.\n\nYou must add a row for every new aerosol species and increase **n_aerolist** to reflect additional species added to the list (in this tutorial add 3). For all species except particulate water and hydronium ion (a tracer), CMAQ now sets no_M2Wet to F.\n\nTo add a semivolatile (Vol=REV) organic aerosol species in the Accumulation mode (T,A,C=F,T,F), set OM to T, calculate korg from e.g. Pye et al. (ACP, 2017) or another source, and use properties that match other organic species:\n```\n& spcs_list_type('ATPROD1 ', F,T,F, cm_set, 1400.0, 'VTRPOD1',' ',0.00,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.09),\n& spcs_list_type('ATPROD2 ', F,T,F, cm_set, 1400.0, 'VTRPOD2',' ',0.00,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.05),\n```\nTo add a nonvolatile (Vol=NVL) organic aerosol species, set no_M2Wet to F:\n```\n& spcs_list_type('ANONV ', T,T,F, cm_set, 1400.0, ' ',' ',0.00,'NVL',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.07),\n```\nNote that these aerosol names do not include a specification of the size bin they fall into. That is instead indicated by the first three T/F fields (i.e. Aitken, Accumulation and Coarse). When CMAQ expands the variables from the AE namelist to the aerosol modes, it checks this table to make sure that mode is allowed for the species being considered. The condensable vapor in equilribium with the aerosol species should also be specified (e.g. VTRPOD1), as well as the reaction counter (e.g. ALKRXN), if it exists , and the kind of mass-transfer category the species fits (e.g. REV = reversible; IRV = Irreversible; NVL = nonvolatile; H2O = water).\nAfter this category, the user must choose whether the species is to be treated as wet (almost none are now except water species).\n\n\n\n\n\n### 1.10 Edit hlconst.F\nhlconst.F calculates Henry's Law constants for species that participate in wet deposition. It's located in the relevant cloud directory at /$CMAQ_REPO/CCTM/src/cloud/*/hlconst.F.\n\nEach new row corresponds to a name used in the 'WET-SCAV SURR' column of the [GC namelist](#GCnml). Increase **MXSPCS** by the number of species added to the list.\n\nBased on the additions to the [GC namelist](#GCnml) in these examples, wet deposition surrogates must be added for TPROD, SVTPROD1, SVTPROD2, and NONVG. The first 3 columns are row numbers in the data matrix. Column 4 is the name of the wet deposition surrogate used in the [GC namelist](#GCnml) and will often be the same as the species name. Column 5 is the Henry's law constant at 298.15 K (M/atm). Column 6 is the enthalpy; for organic semivolatile species with unknown enthalpy, 6.0E+03 may be used. See references listed in hlconst.F for models to calculate Henry's Law constants where experimental data is unavailable.\n```\n DATA SUBNAME(217), A(217), E(217) / 'TPROD ', 3.87E+02, 6.0E+03 /\n DATA SUBNAME(218), A(218), E(218) / 'SVTPROD1 ', 2.97E+06, 6.0E+03 /\n DATA SUBNAME(219), A(219), E(219) / 'SVTPROD2 ', 7.99E+05, 6.0E+03 /\n DATA SUBNAME(220), A(220), E(220) / 'NONVG ', 2.22E+03, 6.0E+03 /\n\n```\nDry deposition surrogates may also be added, but are not covered in this tutorial.\n\n\n### 1.11 Check ELMO Processing\nThe [Explicit and Lumped CMAQ Model Output (ELMO)](../Appendix/CMAQ_UG_appendixF_elmo_output.md) module outputs comprehensive aggregate variables directly from CMAQ. One major goal of ELMO is to lower the barrier to making minor mechanism changes/updates like changing the names of organic aerosol (OA) species and needing to then update offline OA calculations. Users should feel confident that most ELMO variables like PM25 mass and OA mass will be handled correctly regardless of the changes they make, but it is recommended to check CCTM/src/driver/ELMO_PROC.F if large changes are made to the species names in the mechanism, especially gas-phase species liken HNO3.\n\n\n## 2. Build CMAQ Code with New Mechanism\n\n### 2.1 Build CMAQ_PROJECT.\nSee [Chapter 5](../CMAQ_UG_ch05_running_a_simulation.md) or the [Tutorials](README.md) for more information.\n\n\n\n### 2.2 Build New Mechanism\nTwo options are possible for this step. There are several utilities that must be executed to translate the mechanism inputs into CMAQ souce code. The user may run these manually, or utilize features in the bldit_cctm.csh build script that automatically executes each step without detailed work by the user. This automated workflow is called CMAQ Autochem.\n\n\n\n### 2.2.a Manual Mechanism Build Process\n\n#### 2.2.a1 Build chemmech.\nCopy the source code from CMAQ_REPO to CMAQ_PROJECT.\n```\ncp -r /$CMAQ_REPO/UTIL/chemmech/ $CMAQ_PROJECT/UTIL/\n```\nEdit /$CMAQ_PROJECT/UTIL/chemmech/scripts/bldit_chemmech.csh to make sure the correct compiler is set. Then run the build script.\n```\n./bldit_chemmech.csh\n```\n\n\n#### 2.2.a2 Run chemmech.\nEdit run_chemmech.csh\n- COMPILER\n- Update correct Mechanism\n- Set CHEMMECH_INPUT to the location of the [mech.def](#mech_def) file you modified above.\n- Change the location of the tracer namelist file\n```\nset TRAC_NML = /$CMAQ_REPO/CCTM/src/MECHS/trac0/Species_Table_TR_0.nml\n```\nRun:\n```\n./run_chemmech.csh\n```\nIf successful, it will output, for example:\n```\nNormal Completion of CHEMMECH\nAuthor is NAME\noutput written to ../output/cb6r5_ae7_aq\n```\nand will write RXNS_DATA_MODULE.F90 and RXNS_FUNC_MODULE.F90 to the output path. Check the output mechanism csv, html, and markdown files to confirm that chemmech ran correctly. Copy the two Fortran files to /$CMAQ_REPO/CCTM/src/MECHS/${Mechanism}/.\n\n\n\n#### 2.2.a3 Build+run create_ebi.\nCopy the source code from CMAQ_REPO to CMAQ_PROJECT.\n```\ncp -r /$CMAQ_REPO/UTIL/create_ebi/ /$CMAQ_PROJECT/UTIL/\n```\nMove bldrun_create_ebi.csh up one directory (from /$CMAQ_PROJECT/UTIL/create_ebi/scripts/ to /$CMAQ_PROJECT/UTIL/create_ebi/). Edit bldrun_create_ebi.csh:\n- COMPILER\n- Update MECH for your mechanism.\n- Set RXNS_DATA_SRC to the location of your chemmech output files.\n- Set PAR_NEG_FLAG, DEGRADE_SUBS, SOLVER_DELT, and all MECH_*(species) variables to the setting that matches your mechanism. E.g. for cb6r5_ae7_aq:\n```\n setenv PAR_NEG_FLAG T \n setenv DEGRADE_SUBS F \n setenv SOLVER_DELT 2.5 \n```\nThe reactions added in this tutorial do not affect radical species in ozone chemistry. If it did, we recommend checking predictions using the EBI solver against an alternative gas solver listed in the cctm build script such as ros3 and smvgear. Check Table 1 in the [create_ebi documentation](../../../UTIL/create_ebi/README.md) as an initial list of radical species that may require such benchmarking. The list grows if new radical cycles are added to a mechanism such as radicals from halogen compounds.\nRun:\n```\n./bldrun_create_ebi.csh\n```\nIf successful, it will output:\n```\nThe following 10 output files were created:\n hrdriver.F\n hrsolver.F\n hrdata_mod.F\n hrinit.F\n hrg1.F\n hrg2.F\n hrg3.F\n hrg4.F\n hrprodloss.F\n hrrates.F\nProgram CR_EBI_SOLVER completed successfully\nif ( F == T ) then\nexit ( )\n```\nand will write the hr*.F files to /${CMAQ_HOME}/CMAQv533/UTIL/create_ebi/output/ebi_${Mechanism}/. Copy the hr*.F files to /${CMAQ_REPO}/CCTM/src/gas/ebi_${Mechanism}/.\n\n\n\n\n#### 2.2.a4 Build the CCTM executable.\nSee [Chapter 5](../CMAQ_UG_ch05_running_a_simulation.md) or the [Tutorials](README.md) for more information. This will include all of the new files from /${CMAQ_REPO}/CCTM/src/ in /$CMAQ_PROJECT/CCTM/BLD.\n\n\n\n#### 2.2.a5 Run CCTM and post-processing tools.\nSee [Chapter 5](../CMAQ_UG_ch05_running_a_simulation.md) for more information about running the CCTM. See [Chapter 8](../CMAQ_UG_ch08_analysis_tools.md) for more information about running AMET, combine, sitecmp, etc. While running these post-processing tools, be sure to set file paths to the new files created in /$CMAQ_REPO or /$CMAQ_PROJECT/CCTM/BLD.\n\n\n\n### 2.2.b CMAQ Autochem Mechanism Build Process\nThe CMAQ build script (bldit_cctm.csh) contains code that allows the user to automatically generate new chemical mechanism source code with minimal intervention. Uncomment the following line:\n```\n#set build_mech \n```\nand bldit_cctm.csh will gather the metadata it needs to run the bldit_mech.csh, a wrapper for all of the mechanism generation scripts. \nIf you have implemented a new mechanism with a new name, make sure to update that in the 'Mechanism' environment variable, and potentially in the 'ModAero' and 'ModCloud' variables, if applicable.\n\nBecause the mechanism files are generated before CMAQ source files are retreived for the model build process, the Autochem tool will always seek to propagate the new mechanism files back to the CMAQ repo. If the mechanism already exists in the repo (e.g. cb6r5_ae7_aq), the script will halt. To allow the Autochem tool to overwrite any existing mechanisms with the new files, uncomment the following line:\n```\n#set clobber_mech\n```\nIf the mechanism does not already exist, then clobber_mech will have no effect, and new mechanism folder will appear in the repo consistent with the new files.\n\n\n\n## 3. Reflecting the changes in Github ##\n### 3.1 Fork from USEPA CMAQ.\nOn the [CMAQ Github page](https://github.com/USEPA/CMAQ), fork the main branch to your personal repository using the Fork button in the upper right.\n\n### 3.2 Clone.\nClone your repository to your remote account. For example:\n```\ngit clone https://username@github.com/username/CMAQ.git CMAQ_REPO_v533\n```\nThis will request your Github password. You will now see the entire CMAQ repository in the directory you cloned it into. If you enter the top directory (e.g. CMAQ_REPO_v533/), there should now exist a file named .git.\n\n### 3.3 Rename remote.\nRename the remote link. For example:\n```\ngit remote rename origin dev_push_repo\n```\n\n### 3.4 Link to USEPA CMAQ.\nLink the cloned repo to the USEPA Github repo.\n```\ngit remote add dev_repo https://username@github.com/USEPA/CMAQ.git\n```\n\n### 3.5 Branching.\nWhen modifying your repository, it is a good idea to check out a new branch. To create the branch:\n```\ngit branch newchem\n```\nTo move to that branch:\n```\ngit checkout newchem\n```\nTo look at all of your branches:\n```\ngit branch\n```\nThe branch you are currently working from will have an asterisk.\n\n### 3.6 Modify the mechanism according to the [instructions](#modifychem) above.\nIf the USEPA repository is updated by EPA, you will see a statement such as \"This branch is X commits behind USEPA:main\" in Github online. You will likely want to keep your CMAQ up-to-date and will want to pull the updates to your repo. Make sure the files you have edited are backed up.\nCheck the names of your remotes using:\n```\ngit remote -v\n```\nIf you have followed these instructions, your repository should be named dev_push_repo and the USEPA's repository should be named dev_repo. To pull in the updates from USEPA's main branch:\n```\ngit pull dev_repo main\n```\nTo view a summary of the changes you have made to your repo since your last commit, type \"git status\" from anywhere in the repo. If you have followed the instructions above, you should see:\n```\n# On branch newchem\n# Changes not staged for commit:\n# (use \"git add ...\" to update what will be committed)\n# (use \"git checkout -- ...\" to discard changes in working directory)\n#\n# modified: CCTM/src/MECHS/saprc07tic_ae7i_aq/AE_saprc07tic_ae7i_aq.nml\n# modified: CCTM/src/MECHS/saprc07tic_ae7i_aq/CMAQ_Control_DESID_saprc07tic_ae7i_aq.nml\n# modified: CCTM/src/MECHS/saprc07tic_ae7i_aq/GC_saprc07tic_ae7i_aq.nml\n# modified: CCTM/src/MECHS/saprc07tic_ae7i_aq/RXNS_DATA_MODULE.F90\n# modified: CCTM/src/MECHS/saprc07tic_ae7i_aq/RXNS_FUNC_MODULE.F90\n# modified: CCTM/src/MECHS/saprc07tic_ae7i_aq/SpecDef_saprc07tic_ae7i_aq.txt\n# modified: CCTM/src/MECHS/saprc07tic_ae7i_aq/mech_saprc07tic_ae7i_aq.def\n# modified: CCTM/src/aero/aero6/AERO_DATA.F\n# modified: CCTM/src/aero/aero6/SOA_DEFN.F\n# modified: CCTM/src/cloud/acm_ae6/hlconst.F\n# modified: CCTM/src/gas/ebi_saprc07tic_ae7i_aq/hrdata_mod.F\n# modified: CCTM/src/gas/ebi_saprc07tic_ae7i_aq/hrdriver.F\n# modified: CCTM/src/gas/ebi_saprc07tic_ae7i_aq/hrg1.F\n# modified: CCTM/src/gas/ebi_saprc07tic_ae7i_aq/hrg2.F\n# modified: CCTM/src/gas/ebi_saprc07tic_ae7i_aq/hrg3.F\n# modified: CCTM/src/gas/ebi_saprc07tic_ae7i_aq/hrg4.F\n# modified: CCTM/src/gas/ebi_saprc07tic_ae7i_aq/hrinit.F\n# modified: CCTM/src/gas/ebi_saprc07tic_ae7i_aq/hrprodloss.F\n# modified: CCTM/src/gas/ebi_saprc07tic_ae7i_aq/hrrates.F\n# modified: CCTM/src/gas/ebi_saprc07tic_ae7i_aq/hrsolver.F\n# modified: bldit_project.csh\n```\nTo see a list of all lines that have been modified in those files, type \"git diff\".\n\n### 3.7 Commit the changes.\nTo stage all modified files in current directory for commit:\n```\ngit add -u\n```\nTo stage specific files for commit:\n```\ngit add [filename1] [filename2]\n```\nTo commit:\n```\ngit commit\n```\nA page indicating all changes in the commit will be displayed. Enter a description at the top and close the page using :x and Enter.\n\n### 3.8 Push the changes to your Github respository.\nMake sure you do not push the changes to the USEPA CMAQ Github!\n\nTo push your changes from your newchem branch to your Github repository:\n```\ngit push dev_push_repo newchem\n```\nYou should now be able to see these changes in Github online.\n\n\n \n\n[link_1]: ../../../UTIL/chemmech/\n[link_2]: ../../../UTIL/create_ebi/\n\n\n\n[link_1]: https://github.com/USEPA/CMAQ/blob/main/UTIL/chemmech/\n[link_2]: https://github.com/USEPA/CMAQ/blob/main/UTIL/create_ebi/ \n" }, { "path": "DOCS/Users_Guide/Tutorials/CMAQ_UG_tutorial_configure_linux_environment.md", "content": "# Configuring your compute environment for CMAQ simulations\n\nCMAQ is a comprehensive air quality model that requires a multiprocessor computing system and a number of software packages to produce sound estimates of ozone, particulate matter and a number of species. If you are interested in using CMAQ please make sure your computing system meets the following hardware and software requirements. \n\n## Hardware Requirements\n\n### Operating System\n\nThe CMAQ system will require that you have access to a Unix-based or Unix-like computer system. Common distrbutions include Liunx (e.g., Red-Hat, Ubuntu, CentOs, Debian, Fedora, etc) and BSD variations (MacOS, FreeBSD, OpenBSD, etc). \n\n### Memory Requirements \n\nThe memory requirements needed to perform a CMAQ simulation will vary with what you are trying to simulate. Benchmark simulations require 16 GB RAM along with 200 GB of disk space, where as typical simulations may require several hundred GB of RAM along with multiple TB of disk space, depending on domain and output specification. \n\n### Compatibility with Cloud Service Providers\n\nDepending on the ability to access resources with considerable computing power, users should consider running CMAQ on a cloud service provider (CSP). There are several advantages of migrating a users workflow to CSPs, a few include access to on-demand HPC computing resources and availability of canned versions of CMAQ on the cloud with all necessary software pre-built. \n\nMore information on how to use CMAQ on the cloud can be found on the [CMAQ on AWS webpage](https://pcluster-cmaq.readthedocs.io/en/latest/).\n\n## Software Requirements\n\nThe following support software are required for compiling and running CMAQ.\n\n1. Fortran and C compilers, e.g., [Intel](https://software.intel.com/en-us/fortran-compilers), [Portland Group](http://www.pgroup.com), [Gnu](https://gcc.gnu.org/wiki/GFortran)\n2. [Git](https://git-scm.com/book/en/v2/Getting-Started-Installing-Git)\n3. Message Passing Interface (MPI), e.g., [OpenMPI](https://www.open-mpi.org) or [MVAPICH2](http://www.mcs.anl.gov/research/projects/mpich2).\n4. Latest release of [netCDF-C](https://docs.unidata.ucar.edu/nug/current/getting_and_building_netcdf.html).\n5. Latest release of [netCDF-Fortran](https://www.unidata.ucar.edu/software/netcdf/docs/building_netcdf_fortran.html). \n6. [I/O API version 3.2 **tagged 20200828**](https://github.com/cjcoats/ioapi-3.2/releases/tag/20200828).\n\n## Tutorials and scripts for building netCDF and I/O API libraries for CMAQ\n\nThe following set of tutorials provide step by step instructions on how to install netCDF and I/O API software using various compilers. We also provide shell scripts that include commands to install the libraires from source. The scripts will require edits to specify where the libraries should be installed. We recommend looking at the tutorials before using the shell scripts.\n\nWe recommend using the intel compiler to build netCDF with compression (bullet 1 or 2). If this is not possible on your system, we provide other options (bullets 3 - 5). \n\n - Building netCDF4 and I/O API libraries that enable compression with Intel - 20.2 compiler ([Tutorial](CMAQ_UG_tutorial_build_library_intel_support_nc4.md) | [netCDF Script](./scripts/cmaq_libraries/intel_20.2_install_netcdf_for_nc4_compression.csh) | [I/O API Script](./scripts/cmaq_libraries/intel_20.2_install_ioapi_for_nc4_compression.csh))\n \n - Building netCDF4 and I/O API libraries that enable compression with Intel - 2024 compiler ([Tutorial](CMAQ_UG_tutorial_build_library_intel_support_nc4.md) | [netCDF Script](./scripts/cmaq_libraries/intel_2024_install_netcdf_for_nc4_compression.csh) | [I/O API Script](./scripts/cmaq_libraries/intel_2024_install_ioapi_for_nc4_compression.csh))\n\n - Building netCDF4 and I/O API libraries that enable compression with GNU compiler ([Tutorial](CMAQ_UG_tutorial_build_library_gcc_support_nc4.md) | [netCDF Script](./scripts/cmaq_libraries/gcc_11.4_install_netcdf_for_nc4_compression.csh) | [I/O API Script](./scripts/cmaq_libraries/gcc_11.4_install_ioapi_for_nc4_compression.csh))\n \n - Building netCDF and I/O API libraries that disable nc4 compression with Intel - 18.2 compiler ([Tutorial](CMAQ_UG_tutorial_build_library_intel.md) | [netCDF Script](./scripts/cmaq_libraries/intel_18.2_install_netcdf_classic.csh) | [I/O API Script](./scripts/cmaq_libraries/intel_18.2_install_ioapi_classic.csh))\n \n - Building netCDF and I/O API libraries that disable nc4 compression with GNU compiler ([Tutorial](CMAQ_UG_tutorial_build_library_gcc.md) | [netCDF Script](./scripts/cmaq_libraries/gcc_11.4_install_netcdf_classic.csh) | [I/O API Script](./scripts/cmaq_libraries/gcc_11.4_install_ioapi_classic.csh)) \n\n\n## Use custom environment modules or LMOD to manage the different library versions.
\n\nAdding the libraries locations to the LD_LIBRARY_PATH, PATH, MANPATH and other environment variables can be managed using custom modules.\n
\n[Custom Modules using environment modules](https://researchcomputing.princeton.edu/support/knowledge-base/custom-modules)\n
\n[Custom Modules using Lmod](https://lmod.readthedocs.io/en/latest/)\n" }, { "path": "DOCS/Users_Guide/Tutorials/CMAQ_UG_tutorial_debug.md", "content": "# CMAQ Debugging Tips\n\nPurpose: This guide describes how to examine log files and debug issues encountered when installing and running the CMAQ test case.\nThis guide helps you to find and report errors to the CMAS Center Forum and follows the [best practices for posting new issues to the forum](https://forum.cmascenter.org/t/please-read-before-posting/1321).\n\n## Building CMAQ\n### Prerequisite: Build Libraries and CMAQ using gcc or intel compilers\nFollow the CMAQ Build Tutorials for the appropriate compiler: \n\n### Uncompressed netCDF library builds:
\n\n* [Building CMAQ classic libraries for GNU](CMAQ_UG_tutorial_build_library_gcc.md)\n* [Building CMAQ classic libraries for Intel](CMAQ_UG_tutorial_build_library_intel.md)\n\n### Compressed netCDF-4 Library builds:
\n\n* [Building CMAQ libraries netCDF-4 compression for GNU](CMAQ_UG_tutorial_build_library_gcc_support_nc4.md)\n* [Building CMAQ using netCDF-4 compression for Intel](CMAQ_UG_tutorial_build_library_intel_support_nc4.md)\n\n### Verify that an executable was created\n```\ncd $CMAQ_HOME/CCTM/scripts\nls */*.exe\n```\n\n### Inspecting CMAQ Build log files\n```\ngrep -i error bldit_cctm.log\ntail bldit_cctm.log\n```\n\n### If you encounter an error building CMAQ\n* [Search the CMAS Forum](https://forum.cmascenter.org/search?expanded=true) for an error similar to the one that you are seeing in your bldit_cctm.log file.\n* [Review the CMAQ FAQ](https://www.epa.gov/cmaq/frequent-cmaq-questions)\n\nIf you don’t find an answer that solves the issue that you are having, create a new topic on the CMAS Center Forum.\nPlease create a new topic in describing your issue, even if your issue is similar to that of another user.\n\n**See the instructions at the bottom of this tutorial for creating a new topic on the CMAS User Forum.**\n\n## Running CMAQ\n### Prerequisite: Run the CMAQ Benchmark case\n[Follow Benchmark Tutorial instructions](CMAQ_UG_tutorial_benchmark.md)\n(does not require running ICON/BCON as inputs are provided in the Benchmark Input Data).\n\n\n### Inspect the CMAQ run log files\n\nCheck the output log file in the run directory to see if it has completed successfully. \n```\ncd $CMAQ_HOME/CCTM/scripts\n```\n\n**The type of output log file that is created depends on how you submit the job.** If you use slurm, with the sbatch command to submit the job, the standard error and output is logged to a slurm-\\*.out file.\n \nUse grep to verify how many processors were used to run cmaq. \n```\ngrep -i ‘Number of Processors’ slurm-*.out\n```\n\nUse grep to determine if CMAQ completed successfully. \n\n```\ngrep -i 'PROGRAM COMPLETED SUCCESSFULLY' slurm-*.out\n```\n\nUse grep to check for any errors in the slurm log files. \n```\ngrep -i 'error' slurm-*.out\n```\n\n### If your run error contains the following message: \n\n```\nerror while loading shared libraries … cannot open shared object file …\n```\n\nThis error indicates that the `LD_LIBRARY_PATH` environment variable is not properly set to include the path to all the required shared library object files. If this occurs, one solution is to edit the CCTM run script to add the path to the netCDF C (libnetcdf.so) and Fortran (libnetcdff.so) libraries to the `LD_LIBRARY_PATH` variable. For example:\n```\nsetenv NCDIR ${CMAQ_HOME}/lib/x86_64/intel/netcdf\nsetenv NCFDIR ${CMAQ_HOME}/lib/x86_64/intel/netcdff\nsetenv LD_LIBRARY_PATH ${NCDIR}/lib:${NCFDIR}/lib:${LD_LIBRARY_PATH}\n```\nNote this path is dependent on what compiler you used, replace intel with gcc if you used gnu rather than the intel compiler. \nIf this does not work, then cd to the build directory and use the command:\n```\nldd CCTM*.exe\n```\nThis will show the absolute path to the libraries used in compiling the model. Edit the `LD_LIBRARY_PATH` environment variable to include the *directories* where the libnetcdf.so and libnetcdff.so files are located.\n\n### If the program did not complete successfully for another reason\nIf the program did not complete successfully for another reason, you will need to check the per processor log files which begin with the name: CTM_LOG_\\*.\n* These files may either be located in the run directory, if the run script was aborted.\n* Or they may have been moved by the run script to a LOGS directory under the output directory. \n\nLook in the following locations for the CTM_LOG* log files: \n```\ncd $CMAQ_HOME/CCTM/scripts\n```\nor\n```\ncd $CMAQ_HOME/data/LOGS\n```\n\nDetermine the number of log files that exist using the ls command and word count command. \n```\nls CTM_LOG* | wc\n```\n\nThere should be 1 log command for each processor used to run CMAQ for each day. \n\nUse the grep command to determine if the message “PROGRAM COMPLETED SUCCESSFULLY” is at the bottom of all of the log files. \n```\ngrep -i 'PROGRAM COMPLETED SUCCESSFULLY' CTM_LOG* | wc\n```\n\n* If you ran the program on 16 processors, you should see a word count of 16 files that contain this message for each day that you run the model.\n* If there were fewer findings of the successful run command message than the number of processors that were used to run CMAQ:\nUse the grep command to find an error in any of the files\n```\ngrep -i error CTM_LOG*\n```\n\n## If you encounter an error running CMAQ\n* [Search the CMAS Forum](https://forum.cmascenter.org/search?expanded=true) for an error similar to the one that you are seeing in your CTM_LOG file.\n* [Review the CMAQ FAQ](https://www.epa.gov/cmaq/frequent-cmaq-questions)\n\n* If you don’t see a similar error reported in an issue or in a FAQ that provides enough information for you to troubleshoot and solve the issue then submit a new topic.\n\n## If the program crashed\n* If the program crashed (as opposed to aborting with an error message), you may get a stack trace similar to the following:\n```\nforrtl: severe (174): SIGSEGV, segmentation fault occurred\nImage PC Routine Line Source\nCCTM_s07tic_noche 00000000009AF90D Unknown Unknown Unknown\nlibpthread-2.18.s 00002AF0F5B4B6D0 Unknown Unknown Unknown\nCCTM_s07tic_noche 00000000006F3A8A Unknown Unknown Unknown\nCCTM_s07tic_noche 0000000000605EF2 Unknown Unknown Unknown\nCCTM_s07tic_noche 00000000005FEC8C Unknown Unknown Unknown\nCCTM_s07tic_noche 00000000005FD619 Unknown Unknown Unknown\nCCTM_s07tic_noche 0000000000406D9E Unknown Unknown Unknown\nlibc-2.18.so 00002AF0F6464D65 __libc_start_main Unknown Unknown\nCCTM_s07tic_noche 0000000000406CA9 Unknown Unknown Unknown\n```\nPlease do not post an unreadable stack trace to the user forum! Instead, recompile the model in debug mode (uncomment \"set Debug_CCTM\" in bldit_cctm.csh) and rerun. The model will run much more slowly, but when a crash occurs, the stack trace will provide information which should help with debugging. For example:\n```\nforrtl: severe (174): SIGSEGV, segmentation fault occurred\nImage PC Routine Line Source\nCCTM_s07tic_noche 0000000001A61C1D Unknown Unknown Unknown\nlibpthread-2.18.s 00002B8D9E0FC6D0 Unknown Unknown Unknown\nCCTM_s07tic_noche 0000000001551229 aero_ 503 aero_driver.F\nCCTM_s07tic_noche 0000000000E617C1 sciproc_ 298 sciproc.F\nCCTM_s07tic_noche 0000000000E48385 cmaq_driver_ 679 driver.F\nCCTM_s07tic_noche 0000000000E40B84 MAIN__ 96 cmaq_main.F\nCCTM_s07tic_noche 0000000000406D9E Unknown Unknown Unknown\nlibc-2.18.so 00002B8D9EA15D65 __libc_start_main Unknown Unknown\nCCTM_s07tic_noche 0000000000406CA9 Unknown Unknown Unknown\n```\nThis stack trace indicates that the error occurred on line 503 of the file aero_driver.F.\n\nTo rebuild a debug version\n\n```\ncp bldit_cctm.csh bldit_cctmv55_debug.csh\nvi bldit_cctmv55_debug.csh\n```\n\nuncomment the following line \n\n```\n#set Debug_CCTM \n```\n\nchange to \n\n```\nset Debug_CCTM \n```\n\nRerun the build script\n\n```\n./bldit_cctmv55_debug.csh gcc |& tee ./bldit_cctmv55_debug.log\n```\n\nEdit your run script to use the newly compiled debug version that is in a BLD directory with the following extension `_debug`\n\nRe-run using the debug version\n\n\n## Submit a new topic issue on the CMAS User Forum\n\n\n* [Visit the category](https://forum.cmascenter.org/categories) that best describes your issue.\n\n* For example, if you are having an issue running CMAQ [choose the category cmaq runtime issues](https://forum.cmascenter.org/c/cmaq/run-time-errors-and-issues/14)\n\n* Or choose the [parent CMAQ category](https://forum.cmascenter.org/c/cmaq/7) \n\n* Click on + New Topic in the upper right corner.\nThe Category will be pre-selected if you start a new topic request from within a category. If the category is “Uncategorized”, then use the pull-down menu to select the category for your topic.\n\n\n### Selecting a category for your issue\nSelecting a category is important, as the CMAS Center and EPA staff are only monitoring topics submitted within a category that matches their expertise.\n\n \n* Type in a title for your topic that describes your CMAQ compiler environment\nExample Title: \n```\nCMAQv5.4 segmentation fault using gcc and openmpi\n```\n\n### Template for what to include in your new issue.\n**Please include the following information when creating a new issue.** This will make it much faster and easier for others to understand your issue and respond with an appropriate suggestion.\n\n1. Report the **compiler and version used to run CMAQ**\n```\nmpif90 --version\n```\n2. Report the **version of CMAQ** that you are using.\n```\nls */*.exe\n```\n3. Report the name of the run script if it is a benchmark case, or **report the Domain and resolution**\n4. Report a limited amount of the **error message contents** in the body of the issue with output obtained by using the following commands:\n```\ncd $CMAQ_HOME/data/{YOUR_OUTPUT_DIR}/LOGS/\n```\n* The grep argument -B NUM prints NUM lines before the matching text is found. For example, this command will print out the 10 lines prior to each occurrence of the word \"error\" (case insensitive):\n```\ngrep -B 10 -i error CTM_LOG_000*\n```\n\n#### Example of information to include in a new issue post:\n\n| | |\n|:--------:|:----------------:|\n| Compiler Version | ifort version 18.0.1 |\n|CMAQ Version | BLD_CCTM_v54_intel/CCTM_v54.exe |\n| Run Script | run_cctm_Bench_2018_12NE3.csh |\n\nError message encountered: \n```\nerror while loading shared libraries … cannot open shared object file …\n\n```\n\n### Upload additional files \n\nClick on the up arrow icon in the menu underneath the Create New Topic Title including:\n* your run script\n* standard out log file\n* per-processor log file that contains the error message.\n* Note You will need to rename any files to match one of the following extensions (jpg, jpeg, png, gif, csh, txt, csv), for instance, copy cmaq.log to cmaq.log.txt\n\n```\nCTM_LOG_000.v54_gcc_Bench_2018_12NE3_2day_20180701 CTM_LOG_000.v54_gcc_Bench_2018_12NE3_2day_20180702 \n```\n\n* When someone replies to your topic, you will receive an e-mail notification. \n* Please click on the “VISIT TOPIC” button in your e-mail to return to your CMAS Center Forum Issue and reply to any follow-up questions or suggestions. \n" }, { "path": "DOCS/Users_Guide/Tutorials/CMAQ_UG_tutorial_emissions.md", "content": "## CMAQ Tutorial ##\n### Prescribing Emissions Using DESID (Detailed Emissions Scaling, Isolation and Diagnostics) Module ###\nPurpose: This tutorial will guide users to utilizing the DESID Control namelists to perform some basic manipulation\nof their emission streams. For additional questions, contact Ben Murphy (murphy.ben@epa.gov) or visit the CMAS Forum.\n\n------------\n\n### Definitions of Terms\n- Stream: An Online emission source or a group of sources processed offline and read into CMAQ from one file. Common\nexamples of streams include biogenic VOCs, mobile sources, wind-blown dust, prescribed fires, electric-generating units,\nresidential heating, etc. \n- Species: A variable representing a chemical compound or group of compounds in CMAQ. \n- Surrogate: A variable representing a chemical compound or group of compounds on an emission Stream. \n\n### Important Notes to Remember\n- Rules are applied in the order they are provided.\n\n### Example Use Cases\n- [1. Zero out emissions](#zero_out) \n- [2. Add emissions for a new tracer species](#add_emissions) \n- [3. Scale emissions from one stream by a common factor](#scale_stream) \n- [4. Scale emissions for one species on all streams](#scale_species) \n- [5. Scale all gas phase emissions but leave aerosols alone](#scale_gases) \n- [6. Scale all aerosols](#scale_aerosols) \n- [7. Add or subtract emissions from one surrogate to existing emissions](#scale_surrogate) \n- [8. Overwrite the scale factor for a single stream or species](#overwrite) \n- [9. Scale all species except one by a common factor](#scale_all_but_one) \n- [10. Apply scaling while conserving moles or mass](#scale_moles_mass) \n- [11. Apply scaling with spatial dependence](#apply_mask) \n- [12. Define families of streams, regions, or chemical species](#define_families) \n- [13. Use a family of streams to scale emissions for a group of sources](#fam_stream) \n- [14. Use a family of regions to scale emissions in a new location](#fam_region) \n- [15. Use a family of species to scale emissions for a custom group of pollutants](#fam_chem)\n- [16. Miscellaneous Notes](#misc_notes)\n- [Example DESID Control File](../../../CCTM/src/emis/emis/CMAQ_Control_DESID.nml) \n- [Example DESID Scaling Rules File](../../../CCTM/src/MECHS/cracmm2/CMAQ_Control_DESID_cracmm2.nml) \n- [Example Emissions Section of CCTM RunScript File](../../../CCTM/scripts/run_cctm_Bench_2018_12NE3_CRACMM2.csh#L327) \n\n\n\n\n### 1. Zero Out Emissions\nEmission streams can be zeroed using the options for individual streams in the CMAQ RunScript or creating rules in the DESID Chemical Mapping Control Namelist.\n\n##### a. Using Options in the CMAQ RunScript\nFor gridded or inline emissions, reduce the value of N_EMIS_GR or N_EMIS_PT, respectively and adjust the values of the file paths and stream labels accordingly, if necessary.\n\nNote that if you zero out the sea-spray or wind-blown dust emissions, you should also edit the emission control file by commenting out the coarse and fine species expected from those modules. Some of these species are used by both emission streams, so if you only want to zero out the sea-spray or dust stream but not the other stream, you will need to determine which species to comment out. Please check the AERO_DATA module for the list of species produced by each stream. \n\nAlternatively, you may set the CTM_EMISCHK variable to FALSE in the runscript to avoid crashing CMAQ if it cannot find species it is looking for from emissions streams that have been disabled. \n\nTo zero Sea Spray aerosol emissions,\n```\nsetenv CTM_OCEAN_CHEM N\n```\nTo zero Wind-Blown Dust aerosol emissions,\n```\nsetenv CTM_WB_DUST N\n```\nTo zero online Biogenic VOC emissions calculated by BEIS,\n```\nsetenv CTM_BIOGEMIS N\n```\nTo zero Lightning NO emissions,\n```\nsetenv CTM_LTNG_NO N\n```\n\n##### b. Creating Rules in the Chemical Mapping Control Namelist (CMAQ_Control_DESID_${MECH}.nml)\nAll streams can be zeroed by creating a rule that refers to 'All' streams. For example,\n```\n! Region | Stream Label |Emission | CMAQ- |Phase/|Scale |Basis |Op \n! Label | |Surrogate| Species |Mode |Factor| |\n'EVERYWHERE' , 'All' ,'All' ,'All' ,'All' ,0. ,'UNIT','o',\n```\nHere, the 'o' operator regers to *overwrite* and will instruct DESID to change existing instructions that emission variables and CMAQ-species to the new Scale Factor. Additionally, individual streams can be zeroed by creating rules that refer to specific streams.\n```\n! Region | Stream Label |Emission | CMAQ- |Phase/|Scale |Basis |Op \n! Label | |Surrogate| Species |Mode |Factor| |\n'EVERYWHERE' , 'SEASPRAY' ,'All' ,'All' ,'All' ,0. ,'UNIT','o',\n'EVERYWHERE' , 'WBDUST' ,'All' ,'All' ,'All' ,0. ,'UNIT','o',\n'EVERYWHERE' , 'BIOG' ,'All' ,'All' ,'All' ,0. ,'UNIT','o',\n'EVERYWHERE' , 'LTNG' ,'All' ,'All' ,'All' ,0. ,'UNIT','o',\n'EVERYWHERE' , 'MOBILE' ,'All' ,'All' ,'All' ,0. ,'UNIT','o',\n```\nThe last rule assumes that one of the emissions streams has been labeled 'MOBILE' in the RunScript. For example,\n```\nsetenv GR_EMIS_LAB_001 MOBILE\n```\n\n\n### 2. Add Emissions For a New Chemical Species\nIf a species is named \"CHEMX\" on the gas, aerosol, or nonreactive namelist, then a rule can be created on the Chemical Maping Control Namelist that will link that new species to any existing surrogate from the emission streams. In this example, CHEMX is scaled to 25% of NO emissions.\n```\n! Region | Stream Label |Emission | CMAQ- |Phase/|Scale |Basis |Op \n! Label | |Surrogate| Species |Mode |Factor| |\n'EVERYWHERE' , 'All' ,'NO' ,'CHEMX' ,'All' ,0.25 ,'UNIT','a',\n```\nNote that the 'a' operator is important here to create the new link from 'CHEMX' to NO. If we want to scale to 25% of total NOx concentrations, we can add a line to include NO2.\n```\n! Region | Stream Label |Emission | CMAQ- |Phase/|Scale |Basis |Op \n! Label | |Surrogate| Species |Mode |Factor| |\n'EVERYWHERE' , 'All' ,'NO' ,'CHEMX' ,'All' ,0.25 ,'UNIT','a',\n'EVERYWHERE' , 'All' ,'NO2' ,'CHEMX' ,'All' ,0.25 ,'UNIT','a',\n```\n\n\n### 3. Scale emissions from one stream by a common factor\nThe following rule in the Chemical Maping Control Namelist will scale all emissions from one example stream (\"MOBILE\") by a factor of 2. The operator 'm' will multiply the cumulative value of all scale factors that have been applied for the \"MOBILE\" stream to that point.\n```\n! Region | Stream Label |Emission | CMAQ- |Phase/|Scale |Basis |Op \n! Label | |Surrogate| Species |Mode |Factor| |\n'EVERYWHERE' , 'MOBILE' ,'All' ,'All' ,'All' ,2.0 ,'UNIT','m',\n```\n\n\n### 4. Scale emissions for one species on all streams\nTo scale emissions for one species, in this case elemental (or black) carbon, on all streams by a factor of 0.5 (50%), use the following rule:\n```\n! Region | Stream Label |Emission | CMAQ- |Phase/|Scale |Basis |Op \n! Label | |Surrogate| Species |Mode |Factor| |\n'EVERYWHERE' , 'All' ,'All' ,'AEC' ,'All' ,0.5 ,'UNIT','m',\n```\n\n\n### 5. Scale all gas phase emissions but leave aerosols alone\nIf the user wants to target all gas-phase emissions broadly, but leave aerosol emissions alone, the \"Phase/Mode\" field may be used. The following rule scales all gas-phase emissions by 66%.\n```\n! Region | Stream Label |Emission | CMAQ- |Phase/|Scale |Basis |Op \n! Label | |Surrogate| Species |Mode |Factor| |\n'EVERYWHERE' , 'All' ,'All' ,'All' ,'GAS' ,0.66 ,'UNIT','m',\n```\nAnd this rule is just for one stream, for example, the hypothetical \"MOBILE\" stream:\n```\n! Region | Stream Label |Emission | CMAQ- |Phase/|Scale |Basis |Op \n! Label | |Surrogate| Species |Mode |Factor| |\n'EVERYWHERE' , 'MOBILE' ,'All' ,'All' ,'GAS' ,0.66 ,'UNIT','m',\n```\n\n\n### 6. Scale all aerosols\nIf instead, the user is interested in scaling all aerosol species by a factor of 3.0 and leaving gas-phase emissions alone, a rule of this form may be used:\n```\n! Region | Stream Label |Emission | CMAQ- |Phase/|Scale |Basis |Op \n! Label | |Surrogate| Species |Mode |Factor| |\n'EVERYWHERE' , 'All' ,'All' ,'All' ,'AERO',3.0 ,'UNIT','m',\n```\n\n\n### 7. Add or subtract emissions from one surrogate to existing emissions\nIf the following rule is already present on the default emission control namelist. It maps, for all streams, the emission variable TOL (for toluene and possibly toluene-like compounds) to the CMAQ Species TOL.\n```\n! Region | Stream Label |Emission | CMAQ- |Phase/|Scale |Basis |Op \n! Label | |Surrogate| Species |Mode |Factor| |\n'EVERYWHERE' , 'All' ,'TOL' ,'TOL' ,'GAS' ,1.0 ,'UNIT','a',\n```\nThe user wants to add or subtract toluene emissions based on the value of a different emission surrogate, CO for example, then this rule could be used:\n```\n! Region | Stream Label |Emission | CMAQ- |Phase/|Scale |Basis |Op \n! Label | |Surrogate| Species |Mode |Factor| |\n'EVERYWHERE' , 'All' ,'CO' ,'TOL' ,'GAS' ,0.1 ,'UNIT','a',\n```\nThis rule adds more toluene emissions at the rate of 10% of CO emissions to every stream that has CO emissions. If the user wants to subtract 10% of CO emissions instead:\n```\n! Region | Stream Label |Emission | CMAQ- |Phase/|Scale |Basis |Op \n! Label | |Surrogate| Species |Mode |Factor| |\n'EVERYWHERE' , 'All' ,'CO' ,'TOL' ,'GAS' ,-0.1 ,'UNIT','a',\n```\nNote it is important to use the 'a' operator for these rules since the effects of these rules should be added to existing scale factors.\n\n\n### 8. Overwrite the scale factor for a single stream or species\nIf the following rule is already present on the default emission control namelist. It maps, for all streams, the emission variable TOL (for toluene and possibly toluene-like compounds) to the CMAQ Species TOL. \n```\n! Region | Stream Label |Emission | CMAQ- |Phase/|Scale |Basis |Op \n! Label | |Surrogate| Species |Mode |Factor| |\n'EVERYWHERE' , 'All' ,'TOL' ,'TOL' ,'GAS' ,1.0 ,'UNIT','a',\n```\nThe user wants to overwrite the scale factor with a different one, 30% for example, use a rule of this form:\n```\n! Region | Stream Label |Emission | CMAQ- |Phase/|Scale |Basis |Op \n! Label | |Surrogate| Species |Mode |Factor| |\n'EVERYWHERE' , 'All' ,'TOL' ,'TOL' ,'GAS' ,0.3 ,'UNIT','o',\n```\n\n\n### 9. Scale all species except one by a common factor\nPutting examples 3 and 8 together then can give us this desired result. If the Chemical Mapping Control Namelist already has unity scaling for all emissions by default, then the user may scale all emissions from all streams by a factor of 2.0. Then the user can reset the scale factor of one species, NO for example.\n```\n! Region | Stream Label |Emission | CMAQ- |Phase/|Scale |Basis |Op \n! Label | |Surrogate| Species |Mode |Factor| |\n'EVERYWHERE' , 'All' ,'All' ,'All' ,'GAS' ,2.0 ,'UNIT','m',\n'EVERYWHERE' , 'All' ,'NO' ,'NO' ,'GAS' ,1.0 ,'UNIT','o',\n```\n\n\n### 10. Apply scaling while conserving moles or mass\nThe user may elect to conserve moles or mass instead of applying factors directly using the \"Basis\" field. For example, the rule\n```\n! Region | Stream Label |Emission | CMAQ- |Phase/|Scale |Basis |Op \n! Label | |Surrogate| Species |Mode |Factor| |\n'EVERYWHERE' , 'All' ,'CO' ,'ANO3' ,'FINE' ,0.15 ,'MASS','a',\n```\nwill add 15% of CO emissions to the emissions of fine-mode particulate nitrate, but the scale factor will also be adjusted by multiplying by the molecular weight of CO to conserve mass.\n\nReminder: gas-phase emission rates are usually provided to CMAQ in molar units while particle emissions are usually provided in mass. Note that if the user scales a particle species to a gas emission variable, or vice-versa, then there will likely be a mass to mole unit conversion necessary. It is important in most cases to choose either \"MASS\" or \"MOLE\" for the Basis to ensure that conservation of mass or conservation of moles is preserved, depending on user preference. \n\nIf the user is scaling one gas species to another gas emission variable, both will likely have molar emissions units. In this case, selecting \"MOLE\" as the basis will be equivalent to selecting \"UNIT\". In other words, there will be no modification of the user-defined scale factor due to unit conversion concerns. If, however, \"MASS\" is selected, then DESID will adjust the scale factor by first multiplying by the molecular weight of the emission variable and then dividing by the molecular weight of the CMAQ species. These tasks do not need to be completed by the user. \n```\n! Region | Stream Label |Emission | CMAQ- |Phase/|Scale |Basis |Op \n! Label | |Surrogate| Species |Mode |Factor| |\n'EVERYWHERE' , 'All' ,'CO' ,'ETHYLBENZ' ,'GAS' ,0.003 ,'MASS','a',\n```\n\n\n### 11. Apply scaling with spatial dependence\nThe user may apply a scale factor to a specific area of the domain by identifying the name of the mask to be used in the emission rule. For example, this rule increases all emissions in \"KENTUCKY\" by 50%:\n```\n! Region | Stream Label |Emission | CMAQ- |Phase/|Scale |Basis |Op \n! Label | |Surrogate| Species |Mode |Factor| |\n'KENTUCKY' , 'All' ,'All' ,'All' ,'All' ,1.50 ,'UNIT','m',\n```\nThe label for \"KENTUCKY\" should be linked to a specific gridded variable mask (of real numbers) using the \"Desid_RegionDef\" section on the [DESID Control Namelist](../../../CCTM/src/emis/emis/CMAQ_Control_DESID.nml#L137).\n```\n&Desid_RegionDef\n RGN_NML = \n ! | Region Label | File_Label | Variable on File\n ! 'EVERYWHERE' ,'N/A' ,'N/A',\n ! 'WATER' ,'CMAQ_MASKS' ,'OPEN',\n ! 'ALL' ,'CMAQ_MASKS' ,'ALL',\n 'KENTUCKY' ,'CMAQ_STATES','KY',\n/\n```\nThis is just an example of defining one mask named \"KENTUCKY\". For a complete explanation of the spatial-dependent scaling feature, see the CMAQ Appendix [B.3.4 \"Defining and Using Regions and Region Families\"](../Appendix/CMAQ_UG_appendixB_emissions_control.md).\n\nTwo example mask files are available on the CMAS Data Warehouse: US states grid mask file and NOAA climate regions grid mask file. These mask files can be used with the 12US1 modeling grid domain (grid origin x = -2556000 m, y = -1728000 m; N columns = 459, N rows = 299).\n\n* [Link to grid mask files on CMAS Data Warehouse Google Drive](https://drive.google.com/drive/folders/1x9mJUbKjJaMDFawgy2PUbETwEUopAQDl)\n* [Link to metadata for the grid mask files is posted on the CMAS Center Dataverse site](https://doi.org/10.15139/S3/XDYYB9)\n\nCustom mask files may also be made using the [shp2cmaq](../../../PYTOOLS/shp2cmaq/README.md) tool, which provides instructions for obtaining geospatial data via shape files and converting them to CMAQ gridded input files. One may also populate a CMAQ gridded input file with arbitrary geometric shapes (e.g. squares, diamonds, or other polygons) using the IOAPI library of tools and any common coding language (e.g. Fortran, R, or Python)\n\n\n### 12. Define families of streams, regions, or chemical species\nUsers can define any number of custom groups or \"families\" of emission streams, regions or chemical species to be used to streamline (i.e. enhance) prescribed emissions rules. For example, if a user would like to scale NOx by 50% from 4 different emission streams (e.g. PT_EGU, GRIDDED, MOBILE and PT_NONEGU) without using famlies, they would need 8 rules, one for NO and NO2 for each of 4 streams. However, by defining a family of 4 streams and another family of two chemical species (i.e. NOx), 1 rule can be used to achieve the same result. \n\nChemical families are defined by prescribing, via the [CMAQ Miscellaneous Control File](../../../CCTM/src/util/util/CMAQ_Control_Misc.nml), the total number of chemical families to be used, the name of each, the number of members of each family, and the name of each family member. For example, \n```\n&Chemical_FamVars\n N_Chem_Fams = 2\n Max_Chem_Fam_Members = 20\n/\n\n&ChemicalFamilies\n ChemFamilyName(1) = 'NOX' \n ChemFamilyMembers(1,:)= 'NO','NO2' \n ChemFamilyName(2) = 'POA' \n ChemFamilyMembers(2,:)= 'POC','PNCOM' \n/\n``` \nIn this example, 2 chemical families, \"NOX\" and \"POA\", are defined with 2 members, \"NO\" and \"NO2\", and \"POC\" and \"PNCOM\". Note that CMAQv5.3 required the variable ChemFamilyNum to be specified and this value is internally calculated in CMAQv5.4. If the variable is provided, the model will crash. Also, it is required to ensure that no Chemical Family Name is identical to any emission species or CMAQ species. Currently, CMAQ will not detect a name conflict but results will be compromised. A future version of CMAQ will check for duplicative names, trigger an error, and stop the model.\n\nStream families are defined analogously in the DESID Control File (CMAQ_Control_DESID.nml): \n```\n&Desid_StreamFamVars\n Desid_N_Stream_Fams = 3\n Desid_Max_Stream_Fam_Members = 20\n/\n\n&Desid_StreamFam \n ! General sources of POA\n StreamFamilyName(1) = 'GENERAL_POA'\n StreamFamilyMembers(1,1:5)= 'GRIDDED_OTHER','GRIDDED_SOLVENTS','PT_CANADA_SOLVENTS','PT_OTHER','PT_US_SOLVENTS'\n\n ! Diesel-Like Sources\n StreamFamilyName(2) = 'DIESEL'\n StreamFamilyMembers(2,1:2)= 'GRIDDED_DIESEL','PT_CMV'\n\n ! US and Canada Aircraft\n StreamFamilyName(3) = 'AIRCRAFT'\n StreamFamilyMembers(3,1:2)= 'GRIDDED_US_AIRCRAFT','PT_CANADA_AIRPORTS'\n/ \n```\n\nAs are region families: \n```\n&Desid_RegionDefVars\n Desid_Max_Reg = 60 \n Desid_N_Reg_Fams = 0 \n Desid_Max_Reg_Fam_Members = 100 \n/\n\n&Desid_RegionFam\n RegionFamilyName(1) = 'SouthEastUS'\n RegionFamilyMembers(1,:)= 'KY','VA','TN','NC','MS','AL','GA','SC','FL'\n/\n```\n\n\n### 13. Use a family of streams to scale emissions for a group of sources\nTo then use a stream family to apply a rule to multiple streams, just use the family name in the Stream Label column. \n```\n! Region | Stream Label |Emission | CMAQ- |Phase/|Scale |Basis |Op \n! Label | |Surrogate| Species |Mode |Factor| |\n'EVERYWHERE' , 'DIESEL' ,'NO2' ,'NO2' ,'GAS' ,0.50 ,'UNIT','m',\n```\n\n\n### 14. Use a family of regions to scale emissions in a new location\nTo use a region family, use the family name in the Region Label column. \n```\n! Region | Stream Label |Emission | CMAQ- |Phase/|Scale |Basis |Op \n! Label | |Surrogate| Species |Mode |Factor| |\n'SouthEastUS' , 'ALL' ,'NO2' ,'NO2' ,'GAS' ,0.50 ,'UNIT','m',\n```\n\n\n### 15. Use a family of species to scale emissions for a custom group of pollutants\nChemical families may be applied in the CMAQ-species column: \n```\n! Region | Stream Label |Emission | CMAQ- |Phase/|Scale |Basis |Op \n! Label | |Surrogate| Species |Mode |Factor| |\n'EVERYWHERE' , 'AIRCRAFT' ,'ALL' ,'NOX' ,'GAS' ,0.50 ,'UNIT','m',\n``` \nor in the Emission Surrogate column: \n```\n! Region | Stream Label |Emission | CMAQ- |Phase/|Scale |Basis |Op \n! Label | |Surrogate| Species |Mode |Factor| |\n'EVERYWHERE' , 'AIRCRAFT' ,'NOX' ,'ALL' ,'GAS' ,0.50 ,'UNIT','m',\n``` \nIn both of these cases, both NO and NO2 (as NOx is defined above) are multiplied by 50%. The same is accomplished by using NOX in both columns. \n```\n! Region | Stream Label |Emission | CMAQ- |Phase/|Scale |Basis |Op \n! Label | |Surrogate| Species |Mode |Factor| |\n'EVERYWHERE' , 'AIRCRAFT' ,'NOX' ,'NOX' ,'GAS' ,0.50 ,'UNIT','m',\n``` \nBecause the 'm' operator is used, CMAQ will look for pre-existing relationships between the members of 'NOX' in order to apply the scaling rule, which 'multiplies' the existing scaling by 50%. So this example assumes that the following two rules, or something similar, preceed the instructions in this section: \n```\n! Region | Stream Label |Emission | CMAQ- |Phase/|Scale |Basis |Op \n! Label | |Surrogate| Species |Mode |Factor| |\n'EVERYWHERE' , 'AIRCRAFT' ,'NO' ,'NO' ,'GAS' ,1.00 ,'UNIT','a',\n'EVERYWHERE' , 'AIRCRAFT' ,'NO2' ,'NO2' ,'GAS' ,1.00 ,'UNIT','a',\n``` \nIn this case, CMAQ is adding a relationship between NO and NO2 surrogates and model species. Thus families are most useful when using the 'm' or 'o' operators. \n\nHowever, sometimes the 'a' operator is useful with chemical families. In the example below, a relationship is added between POA surrogates (defined in section 12 above) and CMAQ model species: \n```\n! Region | Stream Label |Emission | CMAQ- |Phase/|Scale |Basis |Op \n! Label | |Surrogate| Species |Mode |Factor| |\n'EVERYWHERE' , 'AIRCRAFT' ,'POA' ,'ALVPO1' ,'FINE',0.09 ,'UNIT','a',\n``` \nCMAQ will use this rule to add POC and PNCOM surrogates together, multiply by 0.09 and assign their emissions to ALVPO1, a semivolatile POA species. \nThe way CMAQ uses chemical families for adding relationships with the 'a' is nuanced. The following logic is applied: \n- If a chemical family is used for either the emission variable or the CMAQ-Species but not both, then connections are made between each member of the family and the prescribed single-species in the other column. \n- If both columns include chemical families or the 'ALL' keyword, then each pair of members will be compared. If the names match exactly or a relationship already exists, then the 'a' operation will be applied. If not, then the pair will be ignored. This precaution is in place to protect against the case where a user prescribes an addition (i.e. 'a') rule with the keyword 'ALL' or very large chemical families in both the emission variable and CMAQ-Species columns. \nWithout the precaution in place, adding relationships for ALL surrogates to ALL model species would be an extremely large data structure and almost certainly not an intended use of CMAQ.\n\n\n### 16. Miscellaneous Notes\nIn the default emissions mapping configuration, sulfuric acid (SULF) mass is mapped to ASO4 (particulate sulfate). If these emissions are perturbed directly or as part of a broader sector- or region-wide scaling, it is recommended to confirm specifically that these emissions have been scaled as desired. For example, if a family named 'SOX' is defined that includes 'SO2' and 'SULF' and then 'SOX' is specified as the CMAQ species in a scaling rule, then the 'SULF' to 'ASO4' mapping would not be detected.\n\n\n[link_emtut_1]: ../../../CCTM/src/emis/emis/CMAQ_Control_DESID.nml\n[link_emtut_2]: ../../../CCTM/src/MECHS/cracmm2/CMAQ_Control_DESID_cracmm2.nml\n[link_emtut_3]: ../../../CCTM/scripts/run_cctm_cracmm_2019_12US1_CRACMM2_EPA2019.csh#L420\n[link_emtut_4]: ../../../CCTM/src/emis/emis/CMAQ_Control_DESID.nml#L137\n[link_emtut_5]: ../../../PREP/shp2cmaq/README.md\n[link_emtut_6]: ../../../CCTM/src/util/util/CMAQ_Control_Misc.nml\n\n\n\n[link_emtut_1]: https://github.com/USEPA/CMAQ/blob/main/CCTM/src/emis/emis/CMAQ_Control_DESID.nml\n[link_emtut_2]: https://github.com/USEPA/CMAQ/blob/main/CCTM/src/MECHS/cracmm2/CMAQ_Control_DESID_cracmm2.nml\n[link_emtut_3]: https://github.com/USEPA/CMAQ/blob/main/CCTM/scripts/run_cctm_cracmm_2019_12US1_CRACMM2_EPA2019.csh#L420\n[link_emtut_4]: https://github.com/USEPA/CMAQ/blob/main/CCTM/src/emis/emis/CMAQ_Control_DESID.nml#L137\n[link_emtut_5]: https://github.com/USEPA/CMAQ/blob/main/PREP/shp2cmaq/README.md\n[link_emtut_6]: https://github.com/USEPA/CMAQ/blob/main/CCTM/src/util/util/CMAQ_Control_Misc.nml\n" }, { "path": "DOCS/Users_Guide/Tutorials/CMAQ_UG_tutorial_oceanfile.md", "content": "## CMAQ Tutorial ##\r\n### Creating an OCEAN file for input to CMAQ ###\r\nPurpose: This tutorial describes how to create an ocean mask file that defines the fraction of each grid cell covered by open ocean or surf zone in the CMAQ modeling domain and for adding the variables DMS and CHLO to the ocean file.\r\n\r\n------------\r\n\r\nThe CMAQ sea spray emissions module requires the input of an ocean mask file (OCEAN). OCEAN is a time-independent I/O API file that identifies the fractional [0-1] coverage in each model grid cell allocated to open ocean (OPEN) or surf zone (SURF). The CCTM uses this coverage information to calculate sea spray emission fluxes from the model grid cells online during a CCTM run.\r\n\r\nAdditionally, CMAQ's gas-phase chemical mechanisms except cb6r5m_ae7_aq contain an effective first order halogen mediated ozone loss over the ocean (where OPEN + SURF > 0.0) and also require the OCEAN file. The cb6r5m_ae7_aq mechanism contains bromine, iodine and DMS chemistry, and also requires the OCEAN file with two additional variables: DMS (monthly mean climatological DMS concentrations in seawater) and CHLO (monthly mean climatological chlorophyll concentration). The cb6r5_ae7_aq mechanism contains DMS chemistry and requires the OCEAN file with DMS (monthly mean climatological DMS concentration in seawater). \r\n\r\n```mermaid\r\ngraph TD\r\n A[CTM_OCEAN_CHEM = N] --> D(No monthly ocean files required); \r\n T[CB6R5M] --> |requires| B\r\n B[CTM_OCEAN_CHEM = Y] --> |requires ocean file with| Y\r\n L[CB6R5, CRACMM, CB6R3, SAPRC, RACM] --> |optional| B \r\n Y[OPEN, SURF] --> |CB6R5 | G(DMS)\r\n Y-->|CB6R5M| H(DMS,CHLO)\r\n```\r\n\r\nIf your domain includes ocean, OPTION 1 is recommended. However, if your modeling domain does not contain any ocean, or you wish to bypass the CMAQ sea spray module and the reaction of ozone with oceanic halogens, follow OPTION 2 or 3.\r\n\r\n## OPTION 1: Create OCEAN file from shapefile of domain\r\n\r\n### STEP 1: Download the Spatial Allocator\r\n\r\nThe Spatial Allocator (SA) tool can be downloaded from the CMAS Center at the following link: https://www.cmascenter.org/sa-tools/. Login and follow the download and installation instructions.\r\n\r\n### STEP 2: Create the OCEAN file\r\n\r\nIf your domain is in the U.S., there is a shapefile included with the SA tool in the data directory (surfzone_poly_st.shp). If your domain is outside the U.S., you will need a shapefile of your domain. See the surfzone_poly_st.shp for a template of the attributes required by the Spatial Allocator for generating an OCEAN file.\r\n\r\nUsing the sample script `alloc_srf_zone_to_oceanfile.csh` (located in the **scripts** directory of the SA tool) as a guide, customize a script to run the SA executable on your machine.\r\n\r\nThe default alloc_srf_zone_to_oceanfile.csh script is shown below. To customize this script for a new domain, set the `GRIDDESC` variable to point to an I/O API grid description file that includes the new domain definition. Set `OUTPUT_GRID_NAME` to the name of the new grid as defined in the GRIDDESC file. If needed, change the `OUTPUT_FILE_MAP_PRJN` variable to the projection definition for the new domain.\r\n\r\n```\r\n#! /bin/csh -f\r\n#******************* Allocate Shapefiles Run Script **************************\r\n# Allocates a polygon shapefile's data to an I/O API gridded file\r\n#*****************************************************************************\r\n\r\nsetenv DEBUG_OUTPUT Y\r\n\r\n# Set executable\r\nsetenv EXE \"$SA_HOME/bin/32bits/allocator.exe\" #change this to 64bits instead of 32bits if you have a 64bit machine\r\n\r\n# Set Input Directory\r\nsetenv DATADIR $SA_HOME/data\r\nsetenv OUTPUT $SA_HOME/output\r\n\r\n# Select method of spatial analysis\r\n\r\nsetenv MIMS_PROCESSING ALLOCATE\r\n\r\nsetenv TIME time\r\n\r\n#set \"data\" shapefile parameters\r\nsetenv GRIDDESC $DATADIR/GRIDDESC.txt\r\n\r\n#set parameters for file being allocated\r\nsetenv INPUT_FILE_NAME $DATADIR/surfzone/surfzone_NC_SC\r\nsetenv INPUT_FILE_TYPE ShapeFile\r\nsetenv INPUT_FILE_MAP_PRJN \"+proj=lcc,+lat_1=33,+lat_2=45,+lat_0=40,+lon_0=-97\"\r\nsetenv INPUT_FILE_ELLIPSOID \"+a=6370000.0,+b=6370000.0\"\r\nsetenv ALLOCATE_ATTRS TYPE\r\nsetenv ALLOC_MODE_FILE ALL_AREAPERCENT\r\n\r\n#Set this to SURF_ZONE to create the variables needed for CMAQ OCEANfile\r\nsetenv ALLOC_ATTR_TYPE SURF_ZONE\r\n\r\n# Set name and path of resulting shapefile\r\nsetenv OUTPUT_FILE_TYPE IoapiFile\r\nsetenv OUTPUT_GRID_NAME NC4KM\r\nsetenv OUTPUT_FILE_MAP_PRJN \"+proj=lcc,+lat_1=33,+lat_2=45,+lat_0=40,+lon_0=-97\"\r\nsetenv OUTPUT_FILE_ELLIPSOID \"+a=6370000.0,+b=6370000.0\"\r\nsetenv OUTPUT_FILE_NAME $OUTPUT/ocean_file_${OUTPUT_GRID_NAME}.ncf\r\n\r\n#echo \"Allocating surf zone data to CMAQ OCEANfile\"\r\n$TIME $EXE\r\n```\r\n\r\nRun the script and check the output directory designated in the run script for the new OCEAN file.\r\n\r\n### STEP 3: Add DMS and CHLO to the OCEAN file\r\n\r\nThis section uses a Jupyter Notebook. Jupyter Notebooks can be run on cloud-based systems like SageMaker, Binder, Google Colab, or any linux system with Jupyter installed (https://jupyter.org/install).\r\n\r\nThe Jupyter notebook CMAQ_DMS_ChlorA.ipynb (located in the [PYTOOLS][link_1] directory) can be used to add DMS and CHLO to the existing OCEAN file. See the tool’s [README][link_2] for instructions on how to configure an environment for this notebook. The notebook requires setting the following 6 variables: dom, ocnintmpl, ocnouttmpl, gdpath, overwrite, getlatestchlo.\r\n\r\nVariable “dom” is the output domain which can be defined as follows (12US1 is the output domain name):\r\ndom = '12US1'\r\n\r\nVariable “ocnintmpl” is the location of the existing OCEAN file containing OPEN and SURF. The notebook will add DMS and CHLO to this file:\r\nocnintmpl = f’/work/MOD3DATA/2016_12US1/surface/12US1_surf.ncf’\r\n\r\nVariable “ocnouttmpl” is the location of the new OCEAN files to be created by the notebook:\r\nocnouttmpl = f'output/{dom}/OCEAN_%m_L3m_MC_CHL_chlor_a_{dom}.nc'\r\n\r\nVariable “gdpath” is the path of an IOAPI file using the domain. For most cases, the path of the existing ocean file (ocnintmpl) can be used. \r\ngdpath = ocnintmpl\r\n\r\nThe notebook creates many intermediates files. Variable “overwrite” is used to control the intermediate files. Assigning it “False” will keep the existing intermediate files which is faster when re-processing files for a domain. Otherwise, assign it “True”. In most cases, users can keep it as “False”.\r\noverwrite = False\r\n\r\nThe notebook obtains monthly mean climatology from NASA which is controlled by a variable “getlatestchlo”. If it is set to “False”, then it uses a previously downloaded climatology from NASA. If it is set to “True”, then it downloads the latest climatology from NASA. In most cases, users can keep it as “False”.\r\ngetlatestchlo = False\r\n\r\nOnce these variables are set, then users can execute the script to generate ocean files for the domain. It will create 12 monthly ocean files; each file will contain OPEN, SURF, DMS and CHLO. Check the output directory (ocnouttmpl) designated in the script. Month-specific ocean file needs to be used in the CMAQ model for DMS and halogen chemistry.\r\n\r\n## OPTION 2: Run without an OCEAN input file in CMAQv5.3 and later\r\nIf your modeling domain does not contain any coastal area, you can run CMAQ without an OCEAN input file. This will turn off both sea-spray emissions and the first-order decay of ozone over the ocean. To do this, set the run script option \"CTM_OCEAN_CHEM\" to \"N\" or \"F\". \r\n\r\nIf using cb6r5_ae7_aq and you prefer not to use DMS chemistry, the m3fake approach below can be adapted to create a DMS variable with zero values.\r\n\r\n## OPTION 3: Zero Out Sea-Spray Emissions in CMAQv5.2 or earlier\r\n\r\nEven if your modeling domain does not contain areas of sea spray emissions, you need to provide an OCEAN file to the CCTM. You can create a dummy OCEAN file for domains with no sea spray sources or if you prefer to set sea spray emissions to zero. Copy and run the following I/O API Tool m3fake script to create an OCEAN file containing zeros for the open ocean and surf zone coverage fractions. Using this file will effectively configure a CCTM simulation with zero sea spray emissions. \r\n\r\nNote that you will need the [I/O API Tools](www.cmascenter.org/ioapi) installed and compiled on your Linux system to use this script.\r\n\r\n```\r\n#!/bin/csh -f\r\n\r\n# m3fake script to create a dummy ocean file\r\n\r\nsetenv GRIDDESC $CMAQ_HOME/data/mcip/GRIDDESC\r\nsetenv GRID_NAME SE52BENCH\r\nsetenv OUTFILE $CMAQ_HOME/data/ocean/ocean_file.dummy.$GRID_NAME.ncf\r\nm3fake << EOF\r\nY\r\n2\r\nSE52BENCH\r\n1\r\n0\r\n2\r\nOPEN\r\n1\r\nopen ocean fraction \r\n1\r\n5\r\n0.\r\nSURF\r\n1\r\nsurf zone fraction\r\n1\r\n5\r\n0.\r\n\r\nOUTFILE\r\nEOF\r\n```\r\n\r\nAfter running the script, check for the output file designated in the above script and use it in place of the OCEAN file in the CCTM.\r\n\r\n\r\n\r\n \r\n\r\n[link_1]: ../../../PYTOOLS/\r\n[link_2]: ../../../PYTOOLS/dmschlo/\r\n\r\n\r\n\r\n[link_1]: https://github.com/USEPA/CMAQ/blob/main/PYTOOLS/\r\n[link_2]: https://github.com/USEPA/CMAQ/blob/main/PYTOOLS/dmschlo/" }, { "path": "DOCS/Users_Guide/Tutorials/CMAQ_UG_tutorial_run_time.md", "content": "## CMAQ Tutorial \n### Strategies to Improve CMAQ Model Runtime \nPurpose: This tutorial shares common options and strategies that CMAQ developers recommend for improving model runtimes on common systems.\n\n\n------------\n#### 1. Linux Environment Settings\n\n```\nlimit stacksize unlimited \n```\n\n#### 2. HPC Queue Manager Options\n\nOne consideration is to reserve the entire node that CMAQ is running on so that the simulation can make use of maximum resources. In the SLURM queue manager, you can use the following option.\n```\n#SBATCH --exclusive\n```\n\n#### 3. Run time Processor Configuration Settings\n\nWhen a job is running on a distributed system, you need to provide values for this pair of variables:\n\n```\n@ NPCOL = m; @ NPROW = n\n```\n\nwhere m should be <= n and m and n should be as close to SQRT(m*n) as possible.\n\n\n#### 4. True Parallel IO Operation in CMAQ\n\nThe CMAQ model to be run with the parallel I/O (PIO) feature turned on called the \"mpi\" I/O API libraries (Wong et al. 2015). More information about how to enable PIO within CMAQ can be found in [Appendix D](../Appendix/CMAQ_UG_appendixD_parallel_implementation.md). \n \nTo utilize this option, please go through this check list:\n\n* Have PnetCDF installed and the underlying computing system should have parallel file system, e.g. Lustre or Beefs\n* Have \"set build_parallel_io\" this line uncommented inside bldit_cctm.csh when you are ready to build CMAQ\n* Have an appropriate version of IOAPI 3.2 installed (please contact David Wong at wong.david-c@epa.gov for additional information)\n* Have \"MPI:\" prefix inserted in all output file In the run script, e.g. setenv S_CGRID \"MPI: $OUTDIR/CCTM_CGRID_${CTM_APPL}.nc\"\n\nHere are some example of CMAQ Parallel IO performance on various systems with different parallel file system. In each figure, rnetCDF denotes the I/O methodology current CMAQ is using, PnetCDF denotes the application of straight PnetCDF parallel I/O scheme, and PnetCDFcr denotes the new scheme we have developed based upon PnetCDF (reference below) \n\n* with Lustre parallel file system (Edison and Kraken were among the world fastest supercomputers a few year ago):\n\n![IO performance on Edison](edison.png)\n\n![IO performance on Kraken](kraken.png)\n\n* with BeeGFS parallel file system which is available for free:\n\n![IO performance on a Dell system with outputting 6 standard files](dell_small.png)\n\n![IO performance on a Dell system with outputting 6 standard files plus all diagnostic files](dell_big.png)\n\nWong, D.C., Yang, C.E., Fu, J.S., Wong, K., & Gao, Y. (2015). An approach to enhance pnetCDF performance in environmental modeling applications. Geosci. Model Dev., 8, 1033-1046.\n\n" }, { "path": "DOCS/Users_Guide/Tutorials/CMAQ_UG_tutorial_running_benchmarks.md", "content": "# CMAQ Benchmark Tutorials \n\nThe following tutorials describe how to install and run the CMAQ test cases for the CMAQ base model, instrumented models, and coupled meteorology-chemistry models. \nThese tutorials are designed to familiarize the user with the CMAQ suite of programs and to verify the installation of the software on your system via benchmarking.\n\nBenchmarking CMAQ is recommended in the following circumstances: installation by a new user; installation on a new server; following a new CMAQ release;\nfollowing upgrades to your system kernel, Fortran/C compiler, netCDF library, or I/O API library.\n\n - [Running the CMAQ Base Model with CRACMM2 and STAGE](CMAQ_UG_tutorial_benchmark_cracmm2_stage.md)\n - [Running the CMAQ Base Model with CB6r5 and M3DRY or STAGE](CMAQ_UG_tutorial_benchmark.md)\n - [Running the CMAQ-ISAM Test Case](CMAQ_UG_tutorial_ISAM.md)\n - [Running the CMAQ-DDM-3D Test Case](CMAQ_UG_tutorial_DDM3D.md)\n - [Running the WRF-CMAQ Test Case](CMAQ_UG_tutorial_WRF-CMAQ_Benchmark.md)\n - [Build and run the MPAS-CMAQ Test Case using gcc](CMAQ_UG_tutorial_MPAS-CMAQ_Benchmark_gcc.md)\n - [Build and run the MPAS-CMAQ Test Case using intel](CMAQ_UG_tutorial_MPAS-CMAQ_Benchmark_intel.md)\n" }, { "path": "DOCS/Users_Guide/Tutorials/CMAQ_UG_tutorial_tracers.md", "content": "## CMAQ Tutorial ##\r\n### Add Chemically Inert Gas Phase Tracer Species to CMAQ ###\r\nPurpose: This tutorial will step you through the process of adding chemically inert gas phase tracers to the CMAQ model. Inert tracers can be used as a development tool to test mass conservation when modifying processes in CMAQ. They can also be used for exploratory analysis such as studying the persistence or impact of initial and/or boundary conditions on air quality model estimates, e.g., [Hogrefe et al. (2017)](https://doi.org/10.1016/j.atmosenv.2017.04.009), [Liu et al. (2018)](https://doi.org/10.5194/acp-18-17157-2018). Note that inert tracers are not a replacement for source contribution analysis (e.g., [CMAQ ISAM](../CMAQ_UG_ch11_ISAM.md)) that provides an estimate of how much of a chemically reactive modeled pollutant came from specific sources or processes ([Baker et al. (2015)](https://doi.org/10.1016/j.atmosenv.2015.10.055)).\r\n\r\n------------\r\nThis tutorial will cover 5 different examples to illustrate how adding tracers to the ICBC and emissions input files are similar and highlight important differences to consider when developing a new application.\r\n\r\n**The first tracer species O3_BC**\r\n * is defined to have the same molecular weight as ozone\r\n * uses the ozone dry deposition velocity (VD_O3) scaled with a factor of 1 as its surrogate for dry deposition\r\n * uses ozone as its scavenging surrogate scaled with a factor of 1\r\n * will try to obtain its boundary conditions from a CMAQ species named 'O3' in the boundary condition files with a scaling factor of 1 \r\n * is not mapped to any initial condition, therefore uses default scaling factor of -1\r\n * does not participate in gas-to-aerosol or gas-to-aqueous transformations\r\n * will undergo advection and diffusion\r\n * will be written to the DDEP, WDEP, and CONC output files\r\n \r\n**The second tracer species CO_BC**\r\n * is defined to have the same molecular weight as CO\r\n * uses the CO dry deposition velocity (VD_CO) scaled with a factor of 1 as its surrogate for dry deposition\r\n * uses CO as its scavenging surrogate scaled with a factor of 1\r\n * will try to obtain its boundary conditions from a species named 'CO' in the boundary condition files with a scaling factor of 1\r\n * is not mapped to any initial condition, therefore uses default scaling factor of -1\r\n * does not participate in gas-to-aerosol or gas-to-aqueous transformations\r\n * will undergo advection and diffusion\r\n * will be written to the DDEP, WDEP, and CONC output files \r\n \r\n **The third tracer species O3_IC**\r\n * is defined to have the same molecular weight as ozone\r\n * uses the ozone dry deposition velocity (VD_O3) scaled with a factor of 1 as its surrogate for dry deposition\r\n * uses ozone as its scavenging surrogate scaled with a factor of 1\r\n * will try to obtain its initial conditions from a species named 'O3' in the initial condition files with scaling factor of -1\r\n * has no boundary condition specified, therefore uses default scaling factor of -1\r\n * does not participate in gas-to-aerosol or gas-to-aqueous transformations\r\n * will undergo advection and diffusion\r\n * will be written to the DDEP, WDEP, and CONC output files \r\n \r\n**The fourth tracer species O3_BC_50PC**\r\n * is defined to have the same molecular weight as ozone\r\n * uses the ozone dry deposition velocity (VD_O3) scaled with a factor of 1 as its surrogate for dry deposition\r\n * uses ozone as its scavenging surrogate scaled with a factor of 1\r\n * will try to obtain its boundary conditions from a species named 'O3' in the boundary condition files with a scaling factor of 0.5\r\n * is not mapped to any boundary condition, therefore uses default scaling factor of -1\r\n * does not participate in gas-to-aerosol or gas-to-aqueous transformations\r\n * will undergo advection and diffusion\r\n * will be written to the DDEP, WDEP, and CONC output files\r\n \r\n**The fifth tracer species CO_EMIS**\r\n * is defined to have the same molecular weight as CO\r\n * uses the CO dry deposition velocity (VD_CO) scaled with a factor of 1 as its surrogate for dry deposition\r\n * uses CO as its scavenging surrogate scaled with a factor of 1\r\n * is not mapped to any initial/boundary condition surrogate, therefore uses default scaling factor of -1\r\n * does not participate in gas-to-aerosol or gas-to-aqueous transformations\r\n * will undergo advection and diffusion\r\n * will be written to the DDEP, WDEP, and CONC output files \r\n * see the instructions below for how to map emissions to this tracer species using DESID.\r\n \r\n**The last tracer species ICT_50PPB**\r\n * is defined to have a molecular weight of 1 g/mole\r\n * is not mapped to any dry deposition velocity surrogate, i.e. does not undergo dry deposition, therefore uses default scaling factor of -1\r\n * is not mapped to any scavenging surrogate, i.e. does not undergo scavenging , therfore uses default scaling factor of -1\r\n * will try to obtain its initial from a species named ICT_50PPB in the initial condition files\r\n * is not mapped to any boundary condition therefore uses default scaling factor of -1\r\n * does not participate in gas-to-aerosol or gas-to-aqueous transformations\r\n * will undergo advection and diffusion\r\n * will not be written to the DDEP and WDEP output files\r\n * will be written to the CONC output file \r\n\r\n------------\r\n\r\n### STEP 1: Create tracer namelist\r\n\r\nCreate namelist according to Table 4-2 in the [CMAQ User's Guide](../CMAQ_UG_ch04_model_inputs.md#Table4-2). Include one line for each tracer species with the following format (refer to the table below for more information on the abbreviations):\r\n\r\n\r\n\r\n**Amended from Table 4-2 in the CMAQ User's Guide** \r\n\r\n| **Line**| **Column** |**Name** | **Type**| **Description** |**Comments/Options for Syntax**:|\r\n|-----|-----|----------------------|----------|--------------------------------------------|----------------------------|\r\n| 1 || File Type |String|String to delineate Gas Phase (GC), Aerosol (AE), Non-reactive (NR) and Tracer (TR) species namelist. This section is only applicable for \"TR\" format files.|{TR_nml}|\r\n| 3 || Header ID | String |String to define data structure relating to namelist|{TR_SPECIES_DATA = }|\r\n| 5 |1| SPECIES | String |CMAQ Species name, i.e. NO, HNO3, PAR; dependent on chemical mechanism|-|\r\n||2| MOLWT| Integer |Species Molecular Weight|-|\r\n| |3| IC | String |Initial conditions surrogate species name|{'Species name', ' '}|\r\n| |4| FAC | Integer |Scaling factor for the inital conditions concentration|{Any integer: default = -1 if IC is not specified}|\r\n| |5| BC | String |Boundary conditions surrogate species name|{'Species name', ' '}|\r\n| |6| FAC | Integer |Scaling factor for the boundary concentration|{Any integer: default = -1 if BC is not specified}|\r\n| |7| DRYDEP SURR | String |Surrogate specie name for dry deposition|-|\r\n| |8| FAC | Integer |Scaling factor for dry deposition velocity|{Any integer: default = -1 if SURR is not specified}|\r\n| |9| WET-SCAV SURR | String |Surrograte specie name for wet deposition|-|\r\n| | 10 | FAC | Integer |Scaling factor for wet scavenging|{Any integer: default = -1 if SURR is not specified}|\r\n|| 11 | TR2AE SURR | String |Surrogate species name for gas-to-aerosol transformation species|Not currently functional in CMAQ|\r\n|| 12 | TR2AQ SURR | String |Surrogate species name for aqueous phase reactions|Allows the tracer to participate in aqueous phase chemical reactions|\r\n|| 13 | TRNS | String |Transport Switch. *NOTE: Instead of using one column labeled \"TRNS\" to turn/off both advection and diffusion for a pollutant, two separate columns labeled \"ADV\" and \"DIFF\" can be used to switch on/off advection and diffusion separately.|{YES/NO}|\r\n|| 14 | DDEP | String |Dry deposition output file switch|{YES/NO}|\r\n|| 15 | WDEP | Real |Wet deposition output file switch|{YES/NO}|\r\n|| 16 | CONC | String |Concentration output file switch|{YES/NO}|\r\n\r\nThe example namelist file shown below defines six tracer species.\r\n\r\n\r\n```\r\n&TR_nml\r\n\r\nTR_SPECIES_DATA =\r\n\r\n!SPECIES ,MOLWT ,IC ,IC_FAC ,BC ,BC_FAC ,DEPV ,DEPV_FAC ,SCAV ,SCAV_FAC ,TR2AE ,TR2AQ ,ADVC ,DIFF ,DDEP ,WDEP ,CONC \r\n'O3_BC' ,48.0 ,'' ,-1 ,'O3' , 1 ,'VD_O3' ,1 ,'O3' , 1 ,'' ,'' ,'YES' ,'YES' ,'YES' ,'YES' ,'YES',\r\n'CO_BC' ,28.0 ,'' ,-1 ,'CO' , 1 ,'VD_CO' ,1 ,'CO' , 1 ,'' ,'' ,'YES' ,'YES' ,'YES' ,'YES' ,'YES', \r\n'O3_IC' ,48.0 ,'O3' , 1 ,'' ,-1 ,'VD_O3' ,1 ,'O3' , 1 ,'' ,'' ,'YES' ,'YES' ,'YES' ,'YES' ,'YES', \r\n'O3_BC_50PC' ,48.0 ,'' ,-1 ,'O3' ,0.5 ,'VD_O3' ,1 ,'O3' , 1 ,'' ,'' ,'YES' ,'YES' ,'YES' ,'YES' ,'YES',\r\n'CO_EMIS' ,28.0 ,'' ,-1 ,'' ,-1 ,'VD_CO' ,1 ,'CO' , 1 ,'' ,'' ,'YES' ,'YES' ,'YES' ,'YES' ,'YES', \r\n'ICT_50PPB' , 1.0 ,'ICT_50PPB' , 1 ,'' ,-1 ,'' ,-1 , ,-1 ,'' ,'' ,'YES' ,'YES' ,'' ,'' ,'YES'\r\n/\r\n\r\n``` \r\n\r\n### STEP 2: Add tracers to DESID configuration files\r\n\r\nIf the tracer has emissions then it must be included as part of the DESID configuration for CMAQ. If the tracers are only being added to the initial or boundary conditions file then this step is not necessary. \r\n\r\nThe CO_EMIS tracer is designed to track the fate of CO emissions without any influence from initial or boundary conditions and therefore no IC/BC surrogate was specified and no additional species needs to be added to the initial condition file for this tracer. However, it must be specified in the mechanism-specific CMAQ_Control_DESID file found under CCTM/src/MECHS/*{mechanism name}* in the CMAQ repository. For example if running the cb6r3_ae7_aq mechanism, edit the CMAQ_Control_DESID_cb6r3_ae7_aq.nml file to include the following line after the Custom Mapping Examples in the Emissions Scaling Rules section: \r\n\r\n```\r\n ! Region | Stream Label |Emission | CMAQ- |Phase/|Scale |Basis |Op\r\n ! Label | |Species | Species |Mode |Factor| |\r\n !Tracer\r\n 'EVERYWHERE' , 'ALL' ,'CO' ,'CO_EMIS' ,'GAS',1. ,'UNIT','a',\r\n```\r\n\r\n### STEP 3: Add tracers to initial condition, boundary condition, and/or emission files\r\n\r\nDepending on the desired application, the emission surrogate and IC/BC surrogate defined in the tracer namelist for each tracer need to be added to the corresponding CMAQ input files, i.e. the emissions, initial condition, and/or boundary condition files.\r\n\r\nThe CO_EMIS tracer defined in STEP1 has an emission surrogate that needs to be mapped in a standard emission file (the first four tracers do not have any emission surrogate while the fifth tracer uses CO as its emission surrogate). The first four tracers have a IC/BC surrogates that are contained in standard initial or boundary condition files, while the last tracer, ICT_50PPB, does not have an IC that is contained in a standard IC file. This section provides the necessary steps to add an emissions surrogate to the emissions file and a sample scripts that add the necessary species to an existing initial condition file.\r\n\r\nNote that adding species (if any) to the initial condition file is only necessary for the first day of the simulation while boundary condition and/or emission species (if any) need to be added to the boundary condition and/or emission files for all days of the simulation. Since all tracers defined above will be written to the CGRID file using their names as defined in column 1 of the namelist file, and since the CGRID file will be used to provide initial conditions to CMAQ after the first day of simulation, the tracer species names defined in column 1 were also used as the names of the IC/BC surrogate in column 9 in the sample tracer namelist file for those tracers that use an IC/BC surrogate. \r\n\r\n\r\n#### Script to add O3_IC and ICT_50PPB to an existing initial condition file ####\r\n\r\nThe run script below uses the [`combine`][link_1] program to add species ICT_50PB to an existing initial condition file. The ICT_50PPB specie is set to a constant mixing ratio of 0.05 ppm for all grid cells. From the CMAQ Home directory run the following commands to build the combine executable: \r\n\r\n```\r\ncd $CMAQ_HOME/POST/combine/scripts\r\n./bldit_combine.csh [compiler] [version] |& tee build_combine.log\r\n```\r\n\r\nAfter the combine executable is successfully built, create the following run script in the same folder: \r\n\r\n```\r\n#!/bin/csh\r\n\r\n#> Location of CMAQv5.2 benchmark case\r\n set CMAQ_DATA = $CMAQ_HOME/data\r\n set OUTDIR = $CMAQ_DATA/SE52BENCH\r\n\r\n#> Set the working directory\r\n set BASE = $cwd \r\n\r\n cd $BASE; date; set timestamp; echo \" \"; set echo\r\n\r\n#> Timestep run parameters.\r\n set YEAR = 2011\r\n set MONTH = 07\r\n set DAY = 01 \r\n set MET_YEAR = 11\r\n\r\n#> Use GENSPEC switch to generate a new specdef file (does not generate output file).\r\n\r\n setenv GENSPEC Y\r\n\r\n#> Define name of new species definition file to be created\r\n\r\n setenv SPECIES_DEF ${OUTDIR}/SpecDef_CGRID_SE52BENCH.txt\r\n\r\n if (-e ${SPECIES_DEF}) 'rm' ${SPECIES_DEF}\r\n\r\n\r\n#> Define name of input and output files needed for combine program.\r\n\r\n setenv INFILE1 ${CMAQ_DATA}/SE52BENCH/ref_output/cctm/CCTM_CGRID_v52_intel_SE52BENCH_$YEAR$MONTH$DAY.nc\r\n\r\n setenv OUTFILE ${OUTDIR}/SE52BENCH/CCTM_CGRID_v52_intel_SE52BENCH_added_tracer_$YEAR$MONTH$DAY.nc\r\n\r\n\r\n#> Executable call:\r\n#>\r\n#> In this first call, we only generate the specdef file that contains all the\r\n#> species contained in the existing boundary condition file. OUTFILE is not\r\n#> created\r\n\r\n /usr/bin/time $BINDIR/combine.${VRSN}.exe\r\n\r\n#>\r\n#> define the tracer species to be added to the boundary condition file using the\r\n#> \"combine\" specdef syntax\r\n#>\r\n\r\n echo \"O3_IC ,ppmV ,O3[1], Variable O3_IC\" >! ${OUTDIR}/species_def_tracer.txt\r\n echo \"ICT_50PPB ,ppmV ,0.05, Variable ICT_50PPB\" >> ${OUTDIR}/species_def_tracer.txt\r\n\r\n#>\r\n#> concatenate the specdep file containing the existing species and the file\r\n#> containing the additional tracer species\r\n#>\r\n\r\ncat ${SPECIES_DEF} ${OUTDIR}/species_def_tracer.txt >! ${OUTDIR}/species_CGRID_D51a_12CalnexBench_added_tracer.txt\r\n\r\n#> Redefine the name of specdef file\r\n setenv SPECIES_DEF ${OUTDIR}/species_CGRID_D51a_12CalnexBench_added_tracer.txt\r\n\r\n#> Reset the GENSPEC switch to not generate a new specdef file but to generate an output file\r\n setenv GENSPEC N\r\n\r\n#> Executable call:\r\n#>\r\n#> In this second call, the modified specdef file is used\r\n#> and an output file containing all the original species\r\n#> as well as the added tracer species is created\r\n\r\n /usr/bin/time $BINDIR/combine.${VRSN}.exe\r\n\r\n#>\r\n#> Remove the temporary file with the tracer definitions\r\n#>\r\n\r\n'rm' ${OUTDIR}/SpecDef_tracer.txt\r\n\r\n date\r\n exit()\r\n\r\n```\r\n\r\nOnce the script is made, execute the run script with the following commands:\r\n\r\n```\r\n./run.{script_name}.csh |& tee run.combine.log\r\n```\r\n\r\nFurther details on how to change and customize the emissions control file to the users specification outside the scope of this tutorial can be found in the [emissions tutorial](CMAQ_UG_tutorial_emissions.md). \r\n\r\n\r\n### STEP 4: Modify CMAQ run script\r\n\r\nIn the CMAQ run script, replace the default tracer namelist file `Species_Table_TR_0.nml` with the custom tracer namelist file created in STEP 1 and new DESID namelist file created in STEP 2 (if needed). Also replace the original input files (initial conditions, boundary conditions, and/or emissions) with the modified input files created in Step 3.\r\n\r\n\r\n\r\n[link_1]: ../../../POST/combine/\r\n\r\n\r\n\r\n[link_1]: https://github.com/USEPA/CMAQ/blob/main/POST/combine/ " }, { "path": "DOCS/Users_Guide/Tutorials/README.md", "content": "CMAQ Tutorials\n==============\n\nA series of short tutorials provide practical examples of how to set up and run CMAQ, exercise different features in the software, and better understand the software system. Community members are encouraged to both suggest ideas for new tutorials and to contribute tutorials directly to this repository. [Contact the CMAS Center](mailto:cmas@unc.edu) with new tutorial ideas.\n\n- **[Directions for building libraries and configuring your linux environment for CMAQ](CMAQ_UG_tutorial_configure_linux_environment.md)**\n\n- **[Directions for running CMAQ test cases](CMAQ_UG_tutorial_running_benchmarks.md)**\n \n- **Other Tutorials**\n - [Debugging Tips](CMAQ_UG_tutorial_debug.md)\n - [Using the Community Regional Atmospheric Chemistry Multiphase Mechanism (CRACMM)](CMAQ_UG_tutorial_CRACMM.md) \n - [Manipulate Emissions Inputs with the DESID Module](CMAQ_UG_tutorial_emissions.md)\n - [Creating an OCEAN file](CMAQ_UG_tutorial_oceanfile.md)\n - [Adding an Inert Tracer Species to CMAQ](CMAQ_UG_tutorial_tracers.md) \n - [Create Initial and Boundary Conditions from Seasonal Average Hemispheric CMAQ Output](CMAQ_UG_tutorial_HCMAQ_IC_BC.md)\n - [Modifying a CMAQ Chemical Mechanism](CMAQ_UG_tutorial_chemicalmechanism.md)\n\n\n" }, { "path": "DOCS/Users_Guide/Tutorials/scripts/cmaq_libraries/gcc9.1_install_cmaq55_cb6r5_m3dry_for_nc4_compression.csh", "content": "#!/bin/csh -f\n\n# -----------------------\n# Download and build CMAQ\n# -----------------------\n# NOTE - please change the BUILD, CMAQ_HOME and OPENMPI directory to your local paths\n# To find the openmpi path, search for mpirun, and then look for the include and lib directories\n# > which mpirun\nsetenv BUILD $cwd/LIBRARIES_gcc\nsetenv IOAPI_DIR $BUILD/ioapi-3.2/Linux2_x86_64gfort\nsetenv NETCDF_DIR $BUILD/lib\nsetenv NETCDFF_DIR $BUILD/lib\nsetenv OPENMPI /nas/longleaf/apps-dogwood/mpi/gcc_9.1/openmpi-4.0.1\ncd $BUILD/..\n#git clone -b 55 https://github.com/USEPA/CMAQ/CMAQ.git CMAQ_REPO_v55\ngit clone -b main ssh://github.com/USEPA/CMAQ.git CMAQ_REPO_v55\n\necho \"downloaded CMAQv55\"\ncd CMAQ_REPO_v55\ncd $BUILD/../CMAQ_REPO_v55/\n# Change CMAQ_HOME to a local directory\n #This will remove # from the start of line 102 or add it if it wasn't already there:\n sed -i '19s/^#/\\n/; 19s/^[^\\n]/#&/; 19s/^\\n//' bldit_project.csh\n sed -i '20i set CMAQ_HOME = /proj/ie/proj/CMAS/CMAQ/WRF-CMAQv5.5/build/openmpi_gcc_9.1' bldit_project.csh\n\nset CMAQ_HOME = $BUILD/../openmpi_gcc_9.1\nmkdir $BUILD/../openmpi_gcc_9.1\n./bldit_project.csh\n# Load the Openmpi module \n# Edit this name to match what is available on your local machine\n\nmodule load openmpi_4.0.1/gcc_9.1\n # edit config_cmaq.csh to specify the library locations\n cd $BUILD/../openmpi_gcc_9.1/\n sed -i '144i \\ setenv BUILD /proj/ie/proj/CMAS/CMAQ/WRF-CMAQv5.5/build/LIBRARIES_gcc' config_cmaq.csh\n sed -i '145i \\ setenv OPENMPI /nas/longleaf/apps-dogwood/mpi/gcc_9.1/openmpi-4.0.1' config_cmaq.csh\n sed -i 's@ioapi_inc_gcc@$BUILD\\/ioapi-3.2\\/ioapi\\/fixed_src@g' config_cmaq.csh\n sed -i 's@ioapi_lib_gcc@$BUILD\\/ioapi-3.2\\/Linux2_x86_64gfort@g' config_cmaq.csh\n sed -i 's@netcdf_lib_gcc@$BUILD\\/lib@g' config_cmaq.csh\n sed -i 's@netcdf_inc_gcc@$BUILD\\/include@g' config_cmaq.csh\n sed -i 's@netcdff_lib_gcc@$BUILD\\/lib@g' config_cmaq.csh\n sed -i 's@netcdff_inc_gcc@$BUILD\\/include@g' config_cmaq.csh\n sed -i 's@mpi_incl_gcc@$OPENMPI\\/include@g' config_cmaq.csh\n sed -i 's@mpi_lib_gcc@$OPENMPI\\/lib@g' config_cmaq.csh\n #edit the config_cmaq.csh to use -fopenmp due to it being used by default for I/O API Library\n sed -i '172i \\ setenv myLINK_FLAG -fopenmp' config_cmaq.csh\n #edit the config_cmaq.csh to add extra libraries\n sed -i 's@-lnetcdf\\\" #@-lnetcdf -lcurl -lhdf5 -lhdf5_hl \\\" #@g' config_cmaq.csh\ncd $BUILD/../openmpi_gcc_9.1/CCTM/scripts/\n cp bldit_cctm.csh bldit_cctmv55_cb6r5_m3dry.csh\n # Add extra libs to support nc4 compression in config_cmaq.csh\n # -lnetcdf -lhdf5_hl -lhdf5 -lm -ldl -lz -lcurl\n setenv extra_lib \"-lnetcdf -lhdf5_hl -lhdf5 -lm -ldl -lz -lcurl\"\n # Add openmp flag to match what was used in I/O API in config_cmaq.csh\n # setenv myLINK_FLAG \"-fopenmp\" # openMP not supported w/ CMAQ\n\n./bldit_cctmv55_cb6r5_m3dry.csh gcc |& tee ./bldit_cctmv55_cb6r5_m3dry.log\n# Verify that the executable was created.\nls -rlt BLD_CCTM_v55_gcc_cb6r5_ae7_aq_m3dry/*.exe\n\n\n#Note, to run CMAQ, please create modules or set the LD_LIBRARY_PATH to include the directories for $BUILD/lib at run time.\n\n##see this tutorial for instructions to install modules: \n##https://pcluster-cmaq.readthedocs.io/en/latest/user_guide_pcluster/developers_guide/cmaq-vm/install.html#install-environment-modules\n## If you have modules on your machine, you can create custom modules\n## https://pcluster-cmaq.readthedocs.io/en/latest/user_guide_pcluster/developers_guide/cmaq-vm/install.html#create-custom-environment-module-for-libraries\n\n\n" }, { "path": "DOCS/Users_Guide/Tutorials/scripts/cmaq_libraries/gcc9.1_install_ioapi_for_nc4_compression.csh", "content": "#!/bin/csh -f\n# Build I/O API version that supports NCF4 \n# Note - this script works for gcc 9.1, to use gcc 10 and above, use the -fallow-argument-mismatch argument\n# As of Aug. 28, 2020, there are now new BIN=Linux*gfort10* types and corresponding Makeinclude.Linux*gfort10* that incorporate this flag for the I/O API and M3Tools. \n# The above information is from the I/O API documentation: https://www.cmascenter.org/ioapi/documentation/all_versions/html/AVAIL.html\nset echo\n\n\n setenv INSTDIR $cwd/LIBRARIES_gcc\n cd $INSTDIR\n\n# --------------------------------------\n# Add to the library path\n# --------------------------------------\n if (! $?LD_LIBRARY_PATH) then\n setenv LD_LIBRARY_PATH $INSTDIR/lib\n else\n setenv LD_LIBRARY_PATH ${LD_LIBRARY_PATH}:$INSTDIR/lib\n endif\n# ----------------------\n# Unpack and build IOAPI\n# ----------------------\n git clone https://github.com/cjcoats/ioapi-3.2\n cd ioapi-3.2\n git checkout -b 20200828\n setenv BASEDIR $INSTDIR/ioapi-3.2\n setenv BIN Linux2_x86_64gfort\n mkdir $BASEDIR/$BIN\n setenv CPLMODE nocpl\n # Edit Makefile or use syntax: make BIN=Linux2_x86_64pg CPLMODE=nocpl INSTALL=$INSTDIR\n cd $BASEDIR/ioapi\n # Copy the Makefile template\n cp $BASEDIR/ioapi/Makefile.$CPLMODE ${BASEDIR}/ioapi/Makefile\n cp ${BASEDIR}/m3tools/Makefile.$CPLMODE ${BASEDIR}/m3tools/Makefile\n # Modify to specify the path of the netcdf libraries\n sed -i 's/\\-lnetcdff/\\-L\\$\\{HOME\\}\\/lib \\-lnetcdff \\-lnetcdf \\-lhdf5_hl \\-lhdf5 \\-lm \\-ldl \\-lz \\-lcurl/g' ${BASEDIR}/m3tools/Makefile\n # need updated Makefile to include ‘-DIOAPI_NCF4=1’ to the MFLAGS make-variable to avoid multiple definition of `nf_get_vara_int64_’\n # Makefile can be edited to use these options instead of the default options\n # VFLAG = -DVERSION='3.2-nocpl-ncf4'\n # DEFINEFLAGS = -DIOAPI_NCF4=1 $(ARCHFLAGS) $(PARFLAGS)\n #This will remove # from the start of line 102 or add it if it wasn't already there:\n sed -i '102s/^#/\\n/; 102s/^[^\\n]/#&/; 102s/^\\n//' Makefile\n sed -i '100s/^#/\\n/; 100s/^[^\\n]/#&/; 100s/^\\n//' Makefile\n sed -i '109s/^#/\\n/; 109s/^[^\\n]/#&/; 109s/^\\n//' Makefile\n sed -i '111s/^#/\\n/; 111s/^[^\\n]/#&/; 111s/^\\n//' Makefile\n sed -i -e 's/-m64/-DIOAPI_NCF4=1/g' Makeinclude.Linux2_x86_64gfort \n sed -i -e 's/-openmp/#-openmp/g' Makeinclude.Linux2_x86_64gfort\n make HOME=$INSTDIR | & tee make.ioapi.log\n cd $INSTDIR/ioapi-3.2/m3tools\n make HOME=$INSTDIR | & tee make.m3tools.log\n" }, { "path": "DOCS/Users_Guide/Tutorials/scripts/cmaq_libraries/gcc9.1_install_netcdf_for_nc4_compression.csh", "content": "#!/bin/csh -f\nset echo\n\n#\n# Install used tcsh and gcc/gfortran version 9.1.0 and openmpi\n#\n\n module load openmpi_4.0.1/gcc_9.1.0\n /bin/tcsh --version\n gcc --version\n gfortran --version\n module list | grep openmpi\n which mpirun\n \n# compilers\nsetenv SERIAL_FC gfortran\nsetenv SERIAL_F77 gfortran\nsetenv SERIAL_CC gcc\nsetenv SERIAL_CXX g++\nsetenv MPI_FC mpifort\nsetenv MPI_F77 mpifort\nsetenv MPI_CC mpicc\nsetenv MPI_CXX mpic++\nsetenv CC $SERIAL_CC\nsetenv CXX $SERIAL_CXX\nsetenv F77 $SERIAL_F77\nsetenv FC $SERIAL_FC\nunsetenv F90 # This seems to be set by default on NCAR's Cheyenne and is problematic\nunsetenv F90FLAGS\n\n\n#\n# unset envioronment variables that would conflict with this installation\n#\n\n unsetenv LDFLAGS\n unsetenv CPPFLAGS\n\n# --------------------\n# Set directory for CMAQ Libraries \n# -------------------\n\n mkdir -p $cwd/LIBRARIES_gcc\n setenv INSTDIR $cwd/LIBRARIES_gcc\n\n# ----------------------\n# Build and install curl\n# ---------------------\n\n cd ${INSTDIR}\n wget https://github.com/curl/curl/releases/download/curl-8_11_0/curl-8.11.0.tar.gz\n tar -xzvf curl-8.11.0.tar.gz\n cd curl-8.11.0\n ./configure --prefix=${INSTDIR} --without-ssl --without-libpsl\n make |& tee make.curl.log\n make install |& tee make.install.curl.log\n\n# ----------------------\n# Build and install zlib\n# ---------------------\n\n cd ${INSTDIR}\n wget https://github.com/madler/zlib/releases/download/v1.3/zlib-1.3.tar.gz \n tar -xzvf zlib-1.3.tar.gz\n cd zlib-1.3\n ./configure --prefix=${INSTDIR}\n make -j 4\n #make test |& tee make.test.log\n make install |& tee make.install.log\n\n# -----------------------\n# Download and build HDF5\n# -----------------------\n cd ${INSTDIR}\n wget https://support.hdfgroup.org/ftp/HDF5/releases/hdf5-1.10/hdf5-1.10.5/src/hdf5-1.10.5.tar.gz\n tar xvf hdf5-1.10.5.tar.gz\n rm -f hdf5-1.10.5.tar.gz\n cd hdf5-1.10.5\n setenv LDFLAGS \"-L${INSTDIR}/lib\"\n setenv CPPFLAGS \"-I${INSTDIR}/include\"\n setenv CFLAGS \"-O3\"\n setenv FFLAGS \"-O3\"\n setenv CXXFLAGS \"-O3\"\n setenv FCFLAGS \"-O3\"\n ./configure --prefix=${INSTDIR} --enable-fortran --enable-cxx --with-zlib=${INSTDIR}/include,${INSTDIR}/lib -enable-shared --enable-hl\n make -j 4 |& tee make.gcc9.log\n# make check > make.gcc9.check\n make install |& tee make.gcc9.log\n# ---------------------------\n# Download and build netCDF-C\n# ---------------------------\n cd ${INSTDIR}\n wget https://github.com/Unidata/netcdf-c/archive/refs/tags/v4.8.1.tar.gz\n tar xvf v4.8.1.tar.gz\n cd netcdf-c-4.8.1\n setenv LDFLAGS \"-L${INSTDIR}/lib\"\n setenv CPPFLAGS \"-I${INSTDIR}/include\"\n ./configure --with-pic --enable-netcdf-4 --enable-shared --prefix=${INSTDIR}\n make -j 4 |& tee make.gcc9.log\n make install\n# ---------------------------------\n# Download and build netCDF-Fortran\n# ---------------------------------\n cd ${INSTDIR}\n wget https://github.com/Unidata/netcdf-fortran/archive/refs/tags/v4.5.3.tar.gz\n # installation instructions\n tar xvf v4.5.3.tar.gz\n #tar xzvf v4.4.5.tar.gz\n cd netcdf-fortran-4.5.3\n #cd netcdf-fortran-4.4.5\n ## Note, if non-standard locaions are used for the following compilers, you may need to specify their locations here: \n setenv LIBS \"-L${INSTDIR}/lib -lnetcdf -lhdf5_hl -lhdf5 -lhdf5_fortran -lhdf5hl_fortran -lm -ldl -lz -lcurl \"\n setenv NCDIR ${INSTDIR}\n setenv CPPFLAGS \"-I${INSTDIR}/include\"\n setenv LDFLAGS \"-L${INSTDIR}/lib\"\n setenv LD_LIBRARY_PATH ${INSTDIR}/lib:${LD_LIBRARY_PATH}\n ./configure --with-pic --enable-shared --prefix=${INSTDIR}\n make |& tee make.gcc9.log \n make install |& tee make.gcc9.log\n# -----------------------------\n# Download and build netCDF-CXX\n# -----------------------------\n# cd $INSTDIR\n# wget https://github.com/Unidata/netcdf-cxx4/archive/refs/tags/v4.3.1.tar.gz\n# tar xvf v4.3.1.tar.gz\n# cd netcdf-cxx4-4.3.1\n# ./configure --enable-shared --prefix=$INSTDIR\n# make |& tee make.gcc9.log\n# make install\n# --------------------------\n# Download and build OpenMPI\n# --------------------------\n# cd $INSTDIR\n# wget https://download.open-mpi.org/release/open-mpi/v3.1/openmpi-3.1.4.tar.gz\n# tar xvf openmpi-3.1.4.tar.gz\n# rm -f openmpi-3.1.4.tar.gz\n# cd openmpi-3.1.4\n# export CFLAGS=\"-O3\"\n# export FFLAGS=\"-O3\"\n# export CXXFLAGS=\"-O3\"\n# export FCFLAGS=\"-O3\"\n# ./configure --prefix=$INSTDIR --enable-mpi-cxx\n# make |& tee make.gcc9.log\n## make check > make.gcc9.check\n# make install\n# ----------------------------------\n# Download and build Parallel netCDF\n# ----------------------------------\n# NOTE: the openmpi directory path is hard coded on this script and needs to be updated for your local machine\n##\n#cd $INSTDIR\n# wget https://parallel-netcdf.github.io/Release/pnetcdf-1.12.1.tar.gz\n# tar xvf pnetcdf-1.12.1.tar.gz\n# rm -f pnetcdf-1.12.1.tar.gz\n# cd pnetcdf-1.12.1\n# #export CFLAGS=\"-O3 -fPIC\"\n# #export FFLAGS=\"-O3 -fPIC\"\n# #export CXXFLAGS=\"-O3 -fPIC\"\n# #export FCFLAGS=\"-O3 -fPIC\"\n# #./configure --prefix=$INSTDIR MPIF77=mpif90 MPIF90=mpif90 MPICC=mpicc MPICXX=mpicxx --with-mpi=/nas/longleaf/apps/r/4.1.3/openmpi\n# ./configure --prefix=$INSTDIR MPIF77=mpif90 MPIF90=mpif90 MPICC=mpicc MPICXX=mpicxx --with-mpi=/nas/longleaf/apps-dogwood/mpi/gcc_9.1.0/openmpi_4.0.1\n# make |& tee make.gcc9.log\n# make install\n# ----------------------------------------\n# Use tcsh 6.20 instead of the broken 6.21\n# ----------------------------------------\n# cd /shared/build-hdf5\n# wget http://ftp.funet.fi/pub/mirrors/ftp.astron.com/pub/tcsh/old/tcsh-6.20.00.tar.gz\n# tar xvf tcsh-6.20.00.tar.gz\n# rm -f tcsh-6.20.00.tar.gz\n# cd tcsh-6.20.00\n# ./configure --disable-nls\n# make > make.gcc9.log 2>&1\n# make install\n# ln -s /usr/local/bin/tcsh /bin/csh\n# ----------------------\n# Download and build vim\n# ----------------------\n# cd /usr/local/src\n# git clone https://github.com/vim/vim.git vim\n# cd vim\n# ./configure\n# make > make.gcc9.log 2>&1\n# make install\n# cd /usr/local/bin\n# ln -s vim vi\n\n# install test\n cd $INSTDIR/bin\n ls h5diff\n whereis h5diff\n ./nc-config --version\n ./nf-config --version\n # ncxx4-config --version\n" }, { "path": "DOCS/Users_Guide/Tutorials/scripts/cmaq_libraries/gcc_11.4_install_cmaq55_cb6r5_m3dry_classic.csh", "content": "#!/bin/csh -f\n# for gcc 11.4.1\n# using classic netCDF and I/O API libraries\n\n# -----------------------\n# Download and build CMAQ\n# -----------------------\n# NOTE - please change the BUILD, CMAQ_HOME and OPENMPI directory to your local paths\n# To find the openmpi path, search for mpirun, and then look for the include and lib directories\n# > which mpirun\nsetenv BUILD $cwd/LIBRARIES_gcc_disable-dap\nsetenv IOAPI_DIR $BUILD/ioapi-3.2/Linux2_x86_64gfort10\nsetenv NETCDF_DIR $BUILD/lib\nsetenv NETCDFF_DIR $BUILD/lib\nsetenv OPENMPI /nas/sycamore/apps/openmpi/5.0.5/\ncd $BUILD/..\n#git clone -b 55 https://github.com/USEPA/CMAQ/CMAQ.git CMAQ_REPO_v55\ngit clone -b main ssh://github.com/USEPA/CMAQ.git CMAQ_REPO_v55\n\necho \"downloaded CMAQv55\"\ncd CMAQ_REPO_v55\ncd $BUILD/../CMAQ_REPO_v55/\n# Change CMAQ_HOME to a local directory\n #This will remove # from the start of line 102 or add it if it wasn't already there:\n sed -i '19s/^#/\\n/; 19s/^[^\\n]/#&/; 19s/^\\n//' bldit_project.csh\n sed -i '20i set CMAQ_HOME = /proj/ie/proj/CMAS/CMAQ/CMAQv5.5/build_sycamore/openmpi_gcc_disable_dap' bldit_project.csh\n\nset CMAQ_HOME = $BUILD/../openmpi_gcc_disable_dap\nmkdir $BUILD/../openmpi_gcc_disable_dap\n./bldit_project.csh\n# Load the Openmpi module \n# Edit this name to match what is available on your local machine\n\nmodule load openmpi_5.0.5/gcc_11.4.1\n # edit config_cmaq.csh to specify the library locations\n cd $BUILD/../openmpi_gcc_disable_dap/\n sed -i '144i \\ setenv BUILD /proj/ie/proj/CMAS/CMAQ/CMAQv5.5/build/LIBRARIES_gcc_disable-dap' config_cmaq.csh\n sed -i '145i \\ setenv OPENMPI /nas/sycamore/apps/openmpi/5.0.5/' config_cmaq.csh\n sed -i 's@ioapi_inc_gcc@$BUILD\\/ioapi-3.2\\/ioapi\\/fixed_src@g' config_cmaq.csh\n sed -i 's@ioapi_lib_gcc@$BUILD\\/ioapi-3.2\\/Linux2_x86_64gfort10@g' config_cmaq.csh\n sed -i 's@netcdf_lib_gcc@$BUILD\\/lib@g' config_cmaq.csh\n sed -i 's@netcdf_inc_gcc@$BUILD\\/include@g' config_cmaq.csh\n sed -i 's@netcdff_lib_gcc@$BUILD\\/lib@g' config_cmaq.csh\n sed -i 's@netcdff_inc_gcc@$BUILD\\/include@g' config_cmaq.csh\n sed -i 's@mpi_incl_gcc@$OPENMPI\\/include@g' config_cmaq.csh\n sed -i 's@mpi_lib_gcc@$OPENMPI\\/lib@g' config_cmaq.csh\n #edit the config_cmaq.csh to use -fopenmp due to it being used by default for I/O API Library\n sed -i '172i \\ setenv myLINK_FLAG -fopenmp' config_cmaq.csh\n #edit the config_cmaq.csh to add extra libraries\n sed -i 's@-lnetcdf\\\" #@-lnetcdf -lcurl -lm -lzip \\\" #@g' config_cmaq.csh\ncd $BUILD/../openmpi_gcc_disable_dap/CCTM/scripts/\n cp bldit_cctm.csh bldit_cctmv55_cb6r5_m3dry.csh\n # Add extra libs to support nc4 compression in config_cmaq.csh\n # -lnetcdf -lhdf5_hl -lhdf5 -lm -ldl -lz -lcurl\n setenv extra_lib \"-lnetcdf -lm -lzip -lcurl\"\n # Add openmp flag to match what was used in I/O API in config_cmaq.csh\n # setenv myLINK_FLAG \"-fopenmp\" # openMP not supported w/ CMAQ\n\n./bldit_cctmv55_cb6r5_m3dry.csh gcc |& tee ./bldit_cctmv55_cb6r5_m3dry.log\n# Verify that the executable was created.\nls -rlt BLD_CCTM_v55_gcc_cb6r5_ae7_aq_m3dry/*.exe\n\n\n#Note, to run CMAQ, please create modules or set the LD_LIBRARY_PATH to include the directories for $BUILD/lib at run time.\n\n\n\n" }, { "path": "DOCS/Users_Guide/Tutorials/scripts/cmaq_libraries/gcc_11.4_install_cmaq55_cb6r5_m3dry_for_nc4_compression.csh", "content": "#!/bin/csh -f\n# for gcc version 11.4.1\n\n# -----------------------\n# Download and build CMAQ\n# -----------------------\n# NOTE - please change the BUILD, CMAQ_HOME and OPENMPI directory to your local paths\n# To find the openmpi path, search for mpirun, and then look for the include and lib directories\n# > which mpirun\nsetenv BUILD $cwd/LIBRARIES_gcc\nsetenv IOAPI_DIR $BUILD/ioapi-3.2/Linux2_x86_64gfort10\nsetenv NETCDF_DIR $BUILD/lib\nsetenv NETCDFF_DIR $BUILD/lib\nsetenv OPENMPI /nas/sycamore/apps/openmpi/5.0.5/\ncd $BUILD/..\n#git clone -b 55 https://github.com/USEPA/CMAQ/CMAQ.git CMAQ_REPO_v55\ngit clone -b main ssh://github.com/USEPA/CMAQ.git CMAQ_REPO_v55\n\necho \"downloaded CMAQv55\"\ncd CMAQ_REPO_v55\ncd $BUILD/../CMAQ_REPO_v55/\n# Change CMAQ_HOME to a local directory\n #This will remove # from the start of line 102 or add it if it wasn't already there:\n sed -i '19s/^#/\\n/; 19s/^[^\\n]/#&/; 19s/^\\n//' bldit_project.csh\n sed -i '20i set CMAQ_HOME = /proj/ie/proj/CMAS/CMAQ/CMAQv5.5/build_sycamore/openmpi_gcc' bldit_project.csh\n\nset CMAQ_HOME = $BUILD/../openmpi_gcc\nmkdir $BUILD/../openmpi_gcc\n./bldit_project.csh\n# Load the Openmpi module \n# Edit this name to match what is available on your local machine\n\nmodule load openmpi_5.0.5/gcc_11.4.1\n # edit config_cmaq.csh to specify the library locations\n cd $BUILD/../openmpi_gcc/\n sed -i '144i \\ setenv BUILD /proj/ie/proj/CMAS/CMAQ/CMAQv5.5/build/LIBRARIES_gcc' config_cmaq.csh\n sed -i '145i \\ setenv OPENMPI /nas/sycamore/apps/openmpi/5.0.5/' config_cmaq.csh\n sed -i 's@ioapi_inc_gcc@$BUILD\\/ioapi-3.2\\/ioapi\\/fixed_src@g' config_cmaq.csh\n sed -i 's@ioapi_lib_gcc@$BUILD\\/ioapi-3.2\\/Linux2_x86_64gfort10@g' config_cmaq.csh\n sed -i 's@netcdf_lib_gcc@$BUILD\\/lib@g' config_cmaq.csh\n sed -i 's@netcdf_inc_gcc@$BUILD\\/include@g' config_cmaq.csh\n sed -i 's@netcdff_lib_gcc@$BUILD\\/lib@g' config_cmaq.csh\n sed -i 's@netcdff_inc_gcc@$BUILD\\/include@g' config_cmaq.csh\n sed -i 's@mpi_incl_gcc@$OPENMPI\\/include@g' config_cmaq.csh\n sed -i 's@mpi_lib_gcc@$OPENMPI\\/lib@g' config_cmaq.csh\n #edit the config_cmaq.csh to use -fopenmp due to it being used by default for I/O API Library\n sed -i '172i \\ setenv myLINK_FLAG -fopenmp' config_cmaq.csh\n #edit the config_cmaq.csh to add extra libraries\n sed -i 's@-lnetcdf\\\" #@-lnetcdf -lcurl -lhdf5 -lhdf5_hl \\\" #@g' config_cmaq.csh\ncd $BUILD/../openmpi_gcc/CCTM/scripts/\n cp bldit_cctm.csh bldit_cctmv55_cb6r5_m3dry.csh\n # Add extra libs to support nc4 compression in config_cmaq.csh\n # -lnetcdf -lhdf5_hl -lhdf5 -lm -ldl -lz -lcurl\n setenv extra_lib \"-lnetcdf -lhdf5_hl -lhdf5 -lm -ldl -lz -lcurl\"\n # Add openmp flag to match what was used in I/O API in config_cmaq.csh\n # setenv myLINK_FLAG \"-fopenmp\" # openMP not supported w/ CMAQ\n\n./bldit_cctmv55_cb6r5_m3dry.csh gcc |& tee ./bldit_cctmv55_cb6r5_m3dry.log\n# Verify that the executable was created.\nls -rlt BLD_CCTM_v55_gcc_cb6r5_ae7_aq_m3dry/*.exe\n\n\n#Note, to run CMAQ, please create modules or set the LD_LIBRARY_PATH to include the directories for $BUILD/lib at run time.\n\n##see this tutorial for instructions to install modules: \n##https://pcluster-cmaq.readthedocs.io/en/latest/user_guide_pcluster/developers_guide/cmaq-vm/install.html#install-environment-modules\n## If you have modules on your machine, you can create custom modules\n## https://pcluster-cmaq.readthedocs.io/en/latest/user_guide_pcluster/developers_guide/cmaq-vm/install.html#create-custom-environment-module-for-libraries\n\n\n" }, { "path": "DOCS/Users_Guide/Tutorials/scripts/cmaq_libraries/gcc_11.4_install_ioapi_classic.csh", "content": "#!/bin/csh -f\n# Build I/O API version that supports classic netCDF \n# Note - this script works for gcc 11.4.1 \n# using gcc 10 and above, use the -fallow-argument-mismatch argument\n# As of Aug. 28, 2020, there are now new BIN=Linux*gfort10* types and corresponding Makeinclude.Linux*gfort10* that incorporate this flag for the I/O API and M3Tools. \n# The above information is from the I/O API documentation: https://www.cmascenter.org/ioapi/documentation/all_versions/html/AVAIL.html\nset echo\n\n\n setenv INSTDIR $cwd/LIBRARIES_gcc_disable-dap\n cd $INSTDIR\n\n# --------------------------------------\n# Add to the library path\n# --------------------------------------\n if (! $?LD_LIBRARY_PATH) then\n setenv LD_LIBRARY_PATH $INSTDIR/lib\n else\n setenv LD_LIBRARY_PATH ${LD_LIBRARY_PATH}:$INSTDIR/lib\n endif\n# ----------------------\n# Unpack and build IOAPI\n# ----------------------\n git clone ssh://github.com/cjcoats/ioapi-3.2\n cd ioapi-3.2\n git checkout -b 20200828\n setenv BASEDIR $INSTDIR/ioapi-3.2\n setenv BIN Linux2_x86_64gfort10\n mkdir $BASEDIR/$BIN\n setenv CPLMODE nocpl\n # Edit Makefile or use syntax: make BIN=Linux2_x86_64pg CPLMODE=nocpl INSTALL=$INSTDIR\n cd $BASEDIR/ioapi\n # Copy the Makefile template\n cp $BASEDIR/ioapi/Makefile.$CPLMODE ${BASEDIR}/ioapi/Makefile\n cp ${BASEDIR}/m3tools/Makefile.$CPLMODE ${BASEDIR}/m3tools/Makefile\n # Modify to specify the path of the netcdf libraries\n sed -i 's/\\-lnetcdff/\\-L\\$\\{HOME\\}\\/lib \\-lnetcdff \\-lnetcdf \\-lm \\-lzip \\-lcurl /g' ${BASEDIR}/m3tools/Makefile\n # need updated Makefile to include ‘-DIOAPI_NCF4=1’ to the MFLAGS make-variable to avoid multiple definition of `nf_get_vara_int64_’\n # Makefile can be edited to use these options instead of the default options\n # VFLAG = -DVERSION='3.2-nocpl-ncf4'\n # DEFINEFLAGS = -DIOAPI_NCF4=1 $(ARCHFLAGS) $(PARFLAGS)\n #This will remove # from the start of line 102 or add it if it wasn't already there:\n sed -i '102s/^#/\\n/; 102s/^[^\\n]/#&/; 102s/^\\n//' Makefile\n sed -i '100s/^#/\\n/; 100s/^[^\\n]/#&/; 100s/^\\n//' Makefile\n sed -i '109s/^#/\\n/; 109s/^[^\\n]/#&/; 109s/^\\n//' Makefile\n sed -i '111s/^#/\\n/; 111s/^[^\\n]/#&/; 111s/^\\n//' Makefile\n #sed -i -e 's/m64/m64 -DIOAPI_NCF4=1/g' Makeinclude.Linux2_x86_64gfort \n sed -i -e 's/-openmp/#-openmp/g' Makeinclude.Linux2_x86_64gfort10\n make HOME=$INSTDIR | & tee make.ioapi.log\n cd $INSTDIR/ioapi-3.2/m3tools\n make HOME=$INSTDIR | & tee make.m3tools.log\n" }, { "path": "DOCS/Users_Guide/Tutorials/scripts/cmaq_libraries/gcc_11.4_install_ioapi_for_nc4_compression.csh", "content": "#!/bin/csh -f\n# Build I/O API version that supports NCF4 \n# Note - this script works for gcc 11.4 \n# with gcc 10 and above, use the -fallow-argument-mismatch argument\n# As of Aug. 28, 2020, there are now new BIN=Linux*gfort10* types and corresponding Makeinclude.Linux*gfort10* that incorporate this flag for the I/O API and M3Tools. \n# The above information is from the I/O API documentation: https://www.cmascenter.org/ioapi/documentation/all_versions/html/AVAIL.html\nset echo\n\n\n setenv INSTDIR $cwd/LIBRARIES_gcc\n cd $INSTDIR\n\n# --------------------------------------\n# Add to the library path\n# --------------------------------------\n if (! $?LD_LIBRARY_PATH) then\n setenv LD_LIBRARY_PATH $INSTDIR/lib\n else\n setenv LD_LIBRARY_PATH ${LD_LIBRARY_PATH}:$INSTDIR/lib\n endif\n# ----------------------\n# Unpack and build IOAPI\n# ----------------------\n git clone ssh://github.com/cjcoats/ioapi-3.2\n cd ioapi-3.2\n git checkout -b 20200828\n setenv BASEDIR $INSTDIR/ioapi-3.2\n setenv BIN Linux2_x86_64gfort10\n mkdir $BASEDIR/$BIN\n setenv CPLMODE nocpl\n # Edit Makefile or use syntax: make BIN=Linux2_x86_64pg CPLMODE=nocpl INSTALL=$INSTDIR\n cd $BASEDIR/ioapi\n # Copy the Makefile template\n cp $BASEDIR/ioapi/Makefile.$CPLMODE ${BASEDIR}/ioapi/Makefile\n cp ${BASEDIR}/m3tools/Makefile.$CPLMODE ${BASEDIR}/m3tools/Makefile\n # Modify to specify the path of the netcdf libraries\n sed -i 's/\\-lnetcdff/\\-L\\$\\{HOME\\}\\/lib \\-lnetcdff \\-lnetcdf \\-lhdf5_hl \\-lhdf5 \\-lm \\-ldl \\-lz \\-lcurl/g' ${BASEDIR}/m3tools/Makefile\n # need updated Makefile to include ‘-DIOAPI_NCF4=1’ to the MFLAGS make-variable to avoid multiple definition of `nf_get_vara_int64_’\n # Makefile can be edited to use these options instead of the default options\n # VFLAG = -DVERSION='3.2-nocpl-ncf4'\n # DEFINEFLAGS = -DIOAPI_NCF4=1 $(ARCHFLAGS) $(PARFLAGS)\n #This will remove # from the start of line 102 or add it if it wasn't already there:\n sed -i '102s/^#/\\n/; 102s/^[^\\n]/#&/; 102s/^\\n//' Makefile\n sed -i '100s/^#/\\n/; 100s/^[^\\n]/#&/; 100s/^\\n//' Makefile\n sed -i '109s/^#/\\n/; 109s/^[^\\n]/#&/; 109s/^\\n//' Makefile\n sed -i '111s/^#/\\n/; 111s/^[^\\n]/#&/; 111s/^\\n//' Makefile\n #sed -i -e 's/m64/m64 -DIOAPI_NCF4=1/g' Makeinclude.Linux2_x86_64gfort \n sed -i -e 's/-openmp/#-openmp/g' Makeinclude.Linux2_x86_64gfort\n make HOME=$INSTDIR | & tee make.ioapi.log\n cd $INSTDIR/ioapi-3.2/m3tools\n make HOME=$INSTDIR | & tee make.m3tools.log\n" }, { "path": "DOCS/Users_Guide/Tutorials/scripts/cmaq_libraries/gcc_11.4_install_netcdf_classic.csh", "content": "#!/bin/csh -f\nset echo\n\n#\n# Install used tcsh and gcc/gfortran version 11.4.1 and openmpi\n#\n\nmodule load openmpi_5.0.5/gcc_11.4.1\n /bin/tcsh --version\n gcc --version\n gfortran --version\n module list | grep openmpi\n which mpirun\n \n# compilers\nsetenv SERIAL_FC gfortran\nsetenv SERIAL_F77 gfortran\nsetenv SERIAL_CC gcc\nsetenv SERIAL_CXX g++\nsetenv MPI_FC mpifort\nsetenv MPI_F77 mpifort\nsetenv MPI_CC mpicc\nsetenv MPI_CXX mpic++\nsetenv CC $SERIAL_CC\nsetenv CXX $SERIAL_CXX\nsetenv F77 $SERIAL_F77\nsetenv FC $SERIAL_FC\nunsetenv F90 # This seems to be set by default on NCAR's Cheyenne and is problematic\nunsetenv F90FLAGS\n\n\n#\n# unset envioronment variables that would conflict with this installation\n#\n\n unsetenv LDFLAGS\n unsetenv CPPFLAGS\n\n# --------------------\n# Set directory for CMAQ Libraries \n# -------------------\n\n mkdir -p $cwd/LIBRARIES_gcc_disable-dap\n setenv INSTDIR $cwd/LIBRARIES_gcc_disable-dap\n\n# ---------------------------\n# Download and build netCDF-C\n# ---------------------------\n cd ${INSTDIR}\n wget https://github.com/Unidata/netcdf-c/archive/refs/tags/v4.8.1.tar.gz\n tar xvf v4.8.1.tar.gz\n cd netcdf-c-4.8.1\n setenv LDFLAGS \"-L${INSTDIR}/lib\"\n setenv CPPFLAGS \"-I${INSTDIR}/include\"\n ./configure --disable-netcdf-4 --disable-shared --disable-dap --prefix=$INSTDIR\n make -j 4 |& tee make.gcc.log\n make install\n# ---------------------------------\n# Download and build netCDF-Fortran\n# ---------------------------------\n cd ${INSTDIR}\n wget https://github.com/Unidata/netcdf-fortran/archive/refs/tags/v4.5.3.tar.gz\n # installation instructions\n tar xvf v4.5.3.tar.gz\n cd netcdf-fortran-4.5.3\n #cd netcdf-fortran-4.4.5\n ## Note, if non-standard locaions are used for the following compilers, you may need to specify their locations here: \n setenv LDFLAGS \"-L${INSTDIR}/lib\"\n setenv CPPFLAGS \"-I${INSTDIR}/include\"\n setenv LIBS \"-L${INSTDIR}/lib -lnetcdf\"\n setenv NCDIR ${INSTDIR}\n setenv CPPFLAGS \"-I${INSTDIR}/include\"\n setenv LDFLAGS \"-L${INSTDIR}/lib\"\n setenv LD_LIBRARY_PATH ${INSTDIR}/lib:${LD_LIBRARY_PATH}\n ./configure --disable-shared --disable-zstandard-plugin --disable-netcdf-4 -prefix=$INSTDIR\n make |& tee make.gcc.log \n make install |& tee make.gcc.log\n\n# check version that has been installed\n cd $INSTDIR/bin\n ./nc-config --version\n ./nf-config --version\n # ncxx4-config --version\n" }, { "path": "DOCS/Users_Guide/Tutorials/scripts/cmaq_libraries/gcc_11.4_install_netcdf_for_nc4_compression.csh", "content": "#!/bin/csh -f\nset echo\n\n#\n# Install used tcsh and gcc/gfortran version 11.4.1 and openmpi\n#\n\nmodule load openmpi_5.0.5/gcc_11.4.1\n /bin/tcsh --version\n gcc --version\n gfortran --version\n module list | grep openmpi\n which mpirun\n \n# compilers\nsetenv SERIAL_FC gfortran\nsetenv SERIAL_F77 gfortran\nsetenv SERIAL_CC gcc\nsetenv SERIAL_CXX g++\nsetenv MPI_FC mpifort\nsetenv MPI_F77 mpifort\nsetenv MPI_CC mpicc\nsetenv MPI_CXX mpic++\nsetenv CC $SERIAL_CC\nsetenv CXX $SERIAL_CXX\nsetenv F77 $SERIAL_F77\nsetenv FC $SERIAL_FC\nunsetenv F90 # This seems to be set by default on NCAR's Cheyenne and is problematic\nunsetenv F90FLAGS\n\n\n#\n# unset envioronment variables that would conflict with this installation\n#\n\n unsetenv LDFLAGS\n unsetenv CPPFLAGS\n\n# --------------------\n# Set directory for CMAQ Libraries \n# -------------------\n\n mkdir -p $cwd/LIBRARIES_gcc\n setenv INSTDIR $cwd/LIBRARIES_gcc\n\n# ----------------------\n# Build and install curl\n# ---------------------\n\n cd ${INSTDIR}\n wget https://github.com/curl/curl/releases/download/curl-8_11_0/curl-8.11.0.tar.gz\n tar -xzvf curl-8.11.0.tar.gz\n cd curl-8.11.0\n ./configure --prefix=${INSTDIR} --without-ssl --without-libpsl\n make |& tee make.curl.log\n make install |& tee make.install.curl.log\n\n# ----------------------\n# Build and install zlib\n# ---------------------\n\n cd ${INSTDIR}\n wget https://github.com/madler/zlib/releases/download/v1.3/zlib-1.3.tar.gz \n tar -xzvf zlib-1.3.tar.gz\n cd zlib-1.3\n ./configure --prefix=${INSTDIR}\n make -j 4\n #make test |& tee make.test.log\n make install |& tee make.install.log\n\n# -----------------------\n# Download and build HDF5\n# -----------------------\n cd ${INSTDIR}\n wget https://support.hdfgroup.org/ftp/HDF5/releases/hdf5-1.10/hdf5-1.10.5/src/hdf5-1.10.5.tar.gz\n tar xvf hdf5-1.10.5.tar.gz\n rm -f hdf5-1.10.5.tar.gz\n cd hdf5-1.10.5\n setenv LDFLAGS \"-L${INSTDIR}/lib\"\n setenv CPPFLAGS \"-I${INSTDIR}/include\"\n setenv CFLAGS \"-O3\"\n setenv FFLAGS \"-O3\"\n setenv CXXFLAGS \"-O3\"\n setenv FCFLAGS \"-O3\"\n ./configure --prefix=${INSTDIR} --enable-fortran --enable-cxx --with-zlib=${INSTDIR}/include,${INSTDIR}/lib -enable-shared --enable-hl\n make -j 4 |& tee make.gcc9.log\n# make check > make.gcc9.check\n make install |& tee make.gcc9.log\n# ---------------------------\n# Download and build netCDF-C\n# ---------------------------\n cd ${INSTDIR}\n wget https://github.com/Unidata/netcdf-c/archive/refs/tags/v4.8.1.tar.gz\n tar xvf v4.8.1.tar.gz\n cd netcdf-c-4.8.1\n setenv LDFLAGS \"-L${INSTDIR}/lib\"\n setenv CPPFLAGS \"-I${INSTDIR}/include\"\n ./configure --with-pic --enable-netcdf-4 --enable-shared --prefix=${INSTDIR}\n make -j 4 |& tee make.gcc9.log\n make install\n# ---------------------------------\n# Download and build netCDF-Fortran\n# ---------------------------------\n cd ${INSTDIR}\n wget https://github.com/Unidata/netcdf-fortran/archive/refs/tags/v4.5.3.tar.gz\n # installation instructions\n tar xvf v4.5.3.tar.gz\n #tar xzvf v4.4.5.tar.gz\n cd netcdf-fortran-4.5.3\n #cd netcdf-fortran-4.4.5\n ## Note, if non-standard locaions are used for the following compilers, you may need to specify their locations here: \n setenv LIBS \"-L${INSTDIR}/lib -lnetcdf -lhdf5_hl -lhdf5 -lhdf5_fortran -lhdf5hl_fortran -lm -ldl -lz -lcurl \"\n setenv NCDIR ${INSTDIR}\n setenv CPPFLAGS \"-I${INSTDIR}/include\"\n setenv LDFLAGS \"-L${INSTDIR}/lib\"\n setenv LD_LIBRARY_PATH ${INSTDIR}/lib:${LD_LIBRARY_PATH}\n ./configure --with-pic --enable-shared --prefix=${INSTDIR}\n make |& tee make.gcc9.log \n make install |& tee make.gcc9.log\n\n# check version that has been installed\n cd $INSTDIR/bin\n ls h5diff\n whereis h5diff\n ./nc-config --version\n ./nf-config --version\n # ncxx4-config --version\n" }, { "path": "DOCS/Users_Guide/Tutorials/scripts/cmaq_libraries/intel_18.2_install_cmaq55_cb6r5_m3dry_classic.csh", "content": "#!/bin/csh -f\n# for intel 18.2 and using netCDF classic and I/O API \n\n# -----------------------\n# Download and build CMAQ\n# -----------------------\n# NOTE - please change the BUILD, CMAQ_HOME and OPENMPI directory to your local paths\n# To find the openmpi path, search for mpirun, and then look for the include and lib directories\n# > which mpirun\nsetenv BUILD $cwd/LIBRARIES_intel_classic\nsetenv IOAPI_DIR $BUILD/ioapi-3.2/Linux2_x86_64ifort\nsetenv NETCDF_DIR $BUILD/lib\nsetenv NETCDFF_DIR $BUILD/lib\nsetenv OPENMPI /nas/longleaf/apps-dogwood/mpi/intel_18.2/openmpi_3.1.4\ncd $BUILD/..\n#git clone -b 55 https://github.com/USEPA/CMAQ/CMAQ.git CMAQ_REPO_v55\ngit clone -b main ssh://github.com/USEPA/CMAQ.git CMAQ_REPO_v55\n\necho \"downloaded CMAQv55\"\ncd CMAQ_REPO_v55\ncd $BUILD/../CMAQ_REPO_v55/\n# Change CMAQ_HOME to a local directory\n #This will remove # from the start of line 102 or add it if it wasn't already there:\n sed -i '19s/^#/\\n/; 19s/^[^\\n]/#&/; 19s/^\\n//' bldit_project.csh\n # EDIT this path to specify the BUILD directory set above \n sed -i '20i set CMAQ_HOME = /21dayscratch/scr/l/i/lizadams/test/openmpi_intel_classic' bldit_project.csh\n\nset CMAQ_HOME = $BUILD/../openmpi_intel_classic\nmkdir $BUILD/../openmpi_intel_classic\n./bldit_project.csh\n# Load the Openmpi module \n# Edit this name to match what is available on your local machine\n\nmodule load openmpi_3.1.4/intel_18.2\n # edit config_cmaq.csh to specify the library locations\n cd $BUILD/../openmpi_intel_classic/\n # EDIT this path to specify the location of the BUILD directory set above\n sed -i '81i \\ setenv BUILD /21dayscratch/scr/l/i/lizadams/test/LIBRARIES_intel_classic' config_cmaq.csh\n # EDIT this path to specify the location of the mpirun path, find using which mpirun after loading the openmpi module \n sed -i '82i \\ setenv OPENMPI /nas/longleaf/apps-dogwood/mpi/intel_18.2/openmpi_3.1.4/' config_cmaq.csh\n sed -i 's@ioapi_inc_intel@$BUILD\\/ioapi-3.2\\/ioapi\\/fixed_src@g' config_cmaq.csh\n sed -i 's@ioapi_lib_intel@$BUILD\\/ioapi-3.2\\/Linux2_x86_64ifort@g' config_cmaq.csh\n sed -i 's@netcdf_lib_intel@$BUILD\\/lib@g' config_cmaq.csh\n sed -i 's@netcdf_inc_intel@$BUILD\\/include@g' config_cmaq.csh\n sed -i 's@netcdff_lib_intel@$BUILD\\/lib@g' config_cmaq.csh\n sed -i 's@netcdff_inc_intel@$BUILD\\/include@g' config_cmaq.csh\n sed -i 's@mpi_incl_intel@$OPENMPI\\/include@g' config_cmaq.csh\n sed -i 's@mpi_lib_intel@$OPENMPI\\/lib@g' config_cmaq.csh\n #edit the config_cmaq.csh to use -fopenmp due to it being used by default for I/O API Library\n sed -i '172i \\ setenv myLINK_FLAG -fopenmp' config_cmaq.csh\n #edit the config_cmaq.csh to add extra libraries\n sed -i 's@-lnetcdf\\\" #@-lnetcdf \\\" #@g' config_cmaq.csh\n sed -i -e 's/mpiifort/mpifort/g' config_cmaq.csh\ncd ${CMAQ_HOME}/CCTM/scripts/\n cp bldit_cctm.csh bldit_cctmv55_cb6r5_m3dry.csh\n # Add extra libs to support nc4 compression in config_cmaq.csh\n # -lnetcdf -lhdf5_hl -lhdf5 -lm -ldl -lz -lcurl\n setenv extra_lib \"-lnetcdf -lm\"\n # Add openmp flag to match what was used in I/O API in config_cmaq.csh\n # setenv myLINK_FLAG \"-fopenmp\" # openMP not supported w/ CMAQ\n\n./bldit_cctmv55_cb6r5_m3dry.csh intel |& tee ./bldit_cctmv55_cb6r5_m3dry.log\n# Verify that the executable was created.\nls -rlt BLD_CCTM_v55_intel_cb6r5_ae7_aq_m3dry/*.exe\n\n\n#Note, to run CMAQ, please create modules or set the LD_LIBRARY_PATH to include the directories for $BUILD/lib at run time.\n" }, { "path": "DOCS/Users_Guide/Tutorials/scripts/cmaq_libraries/intel_18.2_install_cmaq55_cb6r5_m3dry_for_nc4_compression.csh", "content": "#!/bin/csh -f\n\n# -----------------------\n# Download and build CMAQ\n# -----------------------\n# NOTE - please change the BUILD, CMAQ_HOME and OPENMPI directory to your local paths\n# To find the openmpi path, search for mpirun, and then look for the include and lib directories\n# > which mpirun\nsetenv BUILD $cwd/LIBRARIES_intel\nsetenv IOAPI_DIR $BUILD/ioapi-3.2/Linux2_x86_64ifort\nsetenv NETCDF_DIR $BUILD/lib\nsetenv NETCDFF_DIR $BUILD/lib\n# Load the OPENMPI module \n# EDIT this module load command to match the module available on your machine\nmodule load openmpi_3.1.4/intel_18.2\n# EDIT this path to specify the location of the mpirun path, find using which mpirun after loading the openmpi module \nsetenv OPENMPI /nas/longleaf/apps-dogwood/mpi/intel_18.2/openmpi_3.1.4/\ncd $BUILD/..\n#git clone -b 55 https://github.com/USEPA/CMAQ/CMAQ.git CMAQ_REPO_v55\ngit clone -b main ssh://github.com/USEPA/CMAQ.git CMAQ_REPO_v55\n\necho \"downloaded CMAQv55\"\ncd CMAQ_REPO_v55\ncd $BUILD/../CMAQ_REPO_v55/\n# Change CMAQ_HOME to a local directory\n #This will remove # from the start of line 102 or add it if it wasn't already there:\n sed -i '19s/^#/\\n/; 19s/^[^\\n]/#&/; 19s/^\\n//' bldit_project.csh\n # EDIT this path to specify the BUILD directory set above \n sed -i '20i set CMAQ_HOME = /21dayscratch/scr/l/i/lizadams/test_nc4/openmpi_intel' bldit_project.csh\n\nset CMAQ_HOME = $BUILD/../openmpi_intel\nmkdir $BUILD/../openmpi_intel\n./bldit_project.csh\n\n # edit config_cmaq.csh to specify the library locations\n cd $BUILD/../openmpi_intel/\n # EDIT this path to specify the location of the BUILD directory set above\n sed -i '81i \\ setenv BUILD /21dayscratch/scr/l/i/lizadams/test_nc4/LIBRARIES_intel' config_cmaq.csh\n # EDIT this path to specify the location of the mpirun path, find using which mpirun after loading the openmpi module \n sed -i '82i \\ setenv OPENMPI /nas/longleaf/apps-dogwood/mpi/intel_18.2/openmpi_3.1.4/' config_cmaq.csh\n sed -i 's@ioapi_inc_intel@$BUILD\\/ioapi-3.2\\/ioapi\\/fixed_src@g' config_cmaq.csh\n sed -i 's@ioapi_lib_intel@$BUILD\\/ioapi-3.2\\/Linux2_x86_64ifort@g' config_cmaq.csh\n sed -i 's@netcdf_lib_intel@$BUILD\\/lib@g' config_cmaq.csh\n sed -i 's@netcdf_inc_intel@$BUILD\\/include@g' config_cmaq.csh\n sed -i 's@netcdff_lib_intel@$BUILD\\/lib@g' config_cmaq.csh\n sed -i 's@netcdff_inc_intel@$BUILD\\/include@g' config_cmaq.csh\n sed -i 's@mpi_incl_intel@$OPENMPI\\/include@g' config_cmaq.csh\n sed -i 's@mpi_lib_intel@$OPENMPI\\/lib@g' config_cmaq.csh\n #edit the config_cmaq.csh to use -fopenmp due to it being used by default for I/O API Library\n sed -i '172i \\ setenv myLINK_FLAG -qopenmp' config_cmaq.csh\n #edit the config_cmaq.csh to add extra libraries\n sed -i 's@-lnetcdf\\\" #@-lnetcdf -lcurl -lhdf5 -lhdf5_hl \\\" #@g' config_cmaq.csh\n sed -i -e 's/mpiifort/mpifort/g' config_cmaq.csh\ncd $CMAQ_HOME/CCTM/scripts/\n cp bldit_cctm.csh bldit_cctmv55_cb6r5_m3dry.csh\n # Add extra libs to support nc4 compression in config_cmaq.csh\n # -lnetcdf -lhdf5_hl -lhdf5 -lm -ldl -lz -lcurl\n setenv extra_lib \"-lnetcdf -lhdf5_hl -lhdf5 -lm -ldl -lz -lcurl\"\n # Add openmp flag to match what was used in I/O API in config_cmaq.csh\n # setenv myLINK_FLAG \"-fopenmp\" # openMP not supported w/ CMAQ\n\n./bldit_cctmv55_cb6r5_m3dry.csh intel |& tee ./bldit_cctmv55_cb6r5_m3dry_intel.log\n# Verify that the executable was created.\nls -rlt BLD_CCTM_v55_intel_cb6r5_ae7_aq_m3dry/*.exe\n\n\n#Note, to run CMAQ, please create modules or set the LD_LIBRARY_PATH to include the directories for $BUILD/lib at run time.\n\n##see this tutorial for instructions to install modules: \n##https://pcluster-cmaq.readthedocs.io/en/latest/user_guide_pcluster/developers_guide/cmaq-vm/install.html#install-environment-modules\n## If you have modules on your machine, you can create custom modules\n## https://pcluster-cmaq.readthedocs.io/en/latest/user_guide_pcluster/developers_guide/cmaq-vm/install.html#create-custom-environment-module-for-libraries\n\n\n" }, { "path": "DOCS/Users_Guide/Tutorials/scripts/cmaq_libraries/intel_18.2_install_ioapi_classic.csh", "content": "#!/bin/csh -f\n# Build I/O API version using classic version of netCDF \n# Note - this script works for ifort 18.2, and depends on intel_18.2_install_netcdf_classic.csh\n# The above information is from the I/O API documentation: https://www.cmascenter.org/ioapi/documentation/all_versions/html/AVAIL.html\nset echo\nmodule load openmpi_3.1.4/intel_18.2\n\n\n setenv INSTDIR $cwd/LIBRARIES_intel_classic\n cd $INSTDIR\n\n# --------------------------------------\n# Add to the library path\n# --------------------------------------\n if (! $?LD_LIBRARY_PATH) then\n setenv LD_LIBRARY_PATH $INSTDIR/lib\n else\n setenv LD_LIBRARY_PATH ${LD_LIBRARY_PATH}:$INSTDIR/lib\n endif\n# ----------------------\n# Unpack and build IOAPI\n# ----------------------\n git clone ssh://github.com/cjcoats/ioapi-3.2\n cd ioapi-3.2\n git checkout -b 20200828\n setenv BASEDIR $INSTDIR/ioapi-3.2\n setenv BIN Linux2_x86_64ifort\n mkdir $BASEDIR/$BIN\n setenv CPLMODE nocpl\n # Edit Makefile or use syntax: make BIN=Linux2_x86_64pg CPLMODE=nocpl INSTALL=$INSTDIR\n cd $BASEDIR/ioapi\n # Copy the Makefile template\n cp $BASEDIR/ioapi/Makefile.$CPLMODE ${BASEDIR}/ioapi/Makefile\n cp ${BASEDIR}/m3tools/Makefile.$CPLMODE ${BASEDIR}/m3tools/Makefile\n # Modify to specify the path of the netcdf libraries\n sed -i 's/\\-lnetcdff/\\-L\\$\\{HOME\\}\\/lib \\-lnetcdff \\-lnetcdf \\-lm /g' ${BASEDIR}/m3tools/Makefile\n # need updated Makefile to include ‘-DIOAPI_NCF4=1’ to the MFLAGS make-variable to avoid multiple definition of `nf_get_vara_int64_’\n # Makefile can be edited to use these options instead of the default options\n # VFLAG = -DVERSION='3.2-nocpl-ncf4'\n # DEFINEFLAGS = -DIOAPI_NCF4=1 $(ARCHFLAGS) $(PARFLAGS)\n #This will remove # from the start of line 102 or add it if it wasn't already there:\n sed -i '102s/^#/\\n/; 102s/^[^\\n]/#&/; 102s/^\\n//' Makefile\n sed -i '100s/^#/\\n/; 100s/^[^\\n]/#&/; 100s/^\\n//' Makefile\n sed -i '109s/^#/\\n/; 109s/^[^\\n]/#&/; 109s/^\\n//' Makefile\n sed -i '111s/^#/\\n/; 111s/^[^\\n]/#&/; 111s/^\\n//' Makefile\n #sed -i -e 's/m64/m64 -DIOAPI_NCF4=1/g' Makeinclude.Linux2_x86_64ifort\n sed -i -e 's/-openmp/#-openmp/g' Makeinclude.Linux2_x86_64ifort\n make HOME=$INSTDIR | & tee make.ioapi.log\n cd $INSTDIR/ioapi-3.2/m3tools\n make HOME=$INSTDIR | & tee make.m3tools.log\n" }, { "path": "DOCS/Users_Guide/Tutorials/scripts/cmaq_libraries/intel_18.2_install_ioapi_for_nc4_compression.csh", "content": "#!/bin/csh -f\n# Build I/O API version that supports NCF4 \n# Note - this script works for intel 18.2\nset echo\n\n# Install used tcsh and intel and openmpi\n# module load intel/18.2 openmpi_3.1.4/intel_18.2\n\n setenv INSTDIR $cwd/LIBRARIES_intel\n cd $INSTDIR\n\n# --------------------------------------\n# Add to the library path\n# --------------------------------------\n if (! $?LD_LIBRARY_PATH) then\n setenv LD_LIBRARY_PATH $INSTDIR/lib\n else\n setenv LD_LIBRARY_PATH ${LD_LIBRARY_PATH}:$INSTDIR/lib\n endif\n# ----------------------\n# Unpack and build IOAPI\n# ----------------------\n git clone https://github.com/cjcoats/ioapi-3.2\n cd ioapi-3.2\n git checkout -b 20200828\n setenv BASEDIR $INSTDIR/ioapi-3.2\n setenv BIN Linux2_x86_64ifort\n mkdir $BASEDIR/$BIN\n setenv CPLMODE nocpl\n # Edit Makefile or use syntax: make BIN=Linux2_x86_64pg CPLMODE=nocpl INSTALL=$INSTDIR\n cd $BASEDIR/ioapi\n # Copy the Makefile template\n cp $BASEDIR/ioapi/Makefile.$CPLMODE ${BASEDIR}/ioapi/Makefile\n cp ${BASEDIR}/m3tools/Makefile.$CPLMODE ${BASEDIR}/m3tools/Makefile\n # Modify to specify the path of the netcdf libraries\n sed -i 's/\\-lnetcdff/\\-L\\$\\{HOME\\}\\/lib \\-lnetcdff \\-lnetcdf \\-lhdf5_hl \\-lhdf5 \\-lm \\-lz \\-lsz /g' ${BASEDIR}/m3tools/Makefile\n # need updated Makefile to include ‘-DIOAPI_NCF4=1’ to the MFLAGS make-variable to avoid multiple definition of `nf_get_vara_int64_’\n # Makefile can be edited to use these options instead of the default options\n # VFLAG = -DVERSION='3.2-nocpl-ncf4'\n # DEFINEFLAGS = -DIOAPI_NCF4=1 $(ARCHFLAGS) $(PARFLAGS)\n #This will remove # from the start of line 102 or add it if it wasn't already there:\n sed -i '102s/^#/\\n/; 102s/^[^\\n]/#&/; 102s/^\\n//' Makefile\n sed -i '100s/^#/\\n/; 100s/^[^\\n]/#&/; 100s/^\\n//' Makefile\n sed -i '109s/^#/\\n/; 109s/^[^\\n]/#&/; 109s/^\\n//' Makefile\n sed -i '111s/^#/\\n/; 111s/^[^\\n]/#&/; 111s/^\\n//' Makefile\n #sed -i -e 's/m64/m64 -DIOAPI_NCF4=1/g' Makeinclude.Linux2_x86_64ifort \n sed -i -e 's/-openmp/#-openmp/g' Makeinclude.Linux2_x86_64ifort\n make HOME=$INSTDIR | & tee make.ioapi.log\n cd $INSTDIR/ioapi-3.2/m3tools\n make HOME=$INSTDIR | & tee make.m3tools.log\n" }, { "path": "DOCS/Users_Guide/Tutorials/scripts/cmaq_libraries/intel_18.2_install_netcdf_classic.csh", "content": "#!/bin/csh -f\nset echo\n\n#\n# Install used tcsh and intel version 18.2 and openmpi\n# for classic version of netCDF library \n#\n\nmodule load openmpi_3.1.4/intel_18.2\n /bin/tcsh --version\n ifort --version\n icc --version\n module list | grep openmpi\n which mpirun\n \n# compilers\nsetenv SERIAL_FC ifort\nsetenv SERIAL_F77 ifort\nsetenv SERIAL_CC icc\nsetenv SERIAL_CXX icpc\nsetenv MPI_FC mpifort\nsetenv MPI_F77 mpifort\nsetenv MPI_CC mpicc\nsetenv MPI_CXX mpic++\nsetenv CC $SERIAL_CC\nsetenv CXX $SERIAL_CXX\nsetenv F77 $SERIAL_F77\nsetenv FC $SERIAL_FC\nunsetenv F90 # This seems to be set by default on NCAR's Cheyenne and is problematic\nunsetenv F90FLAGS\n\n\n#\n# unset envioronment variables that would conflict with this installation\n#\n\n unsetenv LDFLAGS\n unsetenv CPPFLAGS\n\n# --------------------\n# Set directory for CMAQ Libraries \n# -------------------\n\n mkdir -p $cwd/LIBRARIES_intel_classic\n setenv INSTDIR $cwd/LIBRARIES_intel_classic\n\n# ---------------------------\n# Download and build netCDF-C\n# ---------------------------\n cd ${INSTDIR}\n wget https://github.com/Unidata/netcdf-c/archive/refs/tags/v4.8.1.tar.gz\n tar xvf v4.8.1.tar.gz\n cd netcdf-c-4.8.1\n setenv LDFLAGS \"-L${INSTDIR}/lib\"\n setenv CPPFLAGS \"-I${INSTDIR}/include\"\n ./configure --disable-netcdf-4 --disable-shared --disable-dap --prefix=$INSTDIR\n make -j 4 |& tee make.intel.log\n make install\n# ---------------------------------\n# Download and build netCDF-Fortran\n# ---------------------------------\n cd ${INSTDIR}\n wget https://github.com/Unidata/netcdf-fortran/archive/refs/tags/v4.5.3.tar.gz\n # installation instructions\n tar xvf v4.5.3.tar.gz\n cd netcdf-fortran-4.5.3\n #cd netcdf-fortran-4.4.5\n # Edit configure to remove -qversion\n sed -i -e 's/-qversion//g'\n ## Note, if non-standard locaions are used for the following compilers, you may need to specify their locations here: \n setenv LDFLAGS \"-L${INSTDIR}/lib\"\n setenv CPPFLAGS \"-I${INSTDIR}/include\"\n setenv LIBS \"-L${INSTDIR}/lib -lnetcdf\"\n setenv NCDIR ${INSTDIR}\n setenv CPPFLAGS \"-I${INSTDIR}/include\"\n setenv LDFLAGS \"-L${INSTDIR}/lib\"\n setenv LD_LIBRARY_PATH ${INSTDIR}/lib:${LD_LIBRARY_PATH}\n ./configure --disable-shared --disable-zstandard-plugin --disable-netcdf-4 -prefix=$INSTDIR\n make |& tee make.intel.log \n make install |& tee make.intel.log\n\n# check version that has been installed\n cd $INSTDIR/bin\n ./nc-config --version\n ./nf-config --version\n # ncxx4-config --version\n" }, { "path": "DOCS/Users_Guide/Tutorials/scripts/cmaq_libraries/intel_18.2_install_netcdf_for_nc4_compression.csh", "content": "#!/bin/csh -f\nset echo\n\n#\n# Install used tcsh and intel and openmpi\nmoudule load openmpi_3.1.4/intel_18.2\n#\n\n /bin/tcsh --version\n ifort --version\n icc --version\n module list | grep openmpi\n which mpirun\n\n# compilers\n setenv SERIAL_FC ifort\n setenv SERIAL_F77 ifort\n setenv SERIAL_CC icc\n setenv SERIAL_CXX icpc\n setenv MPI_FC mpifort\n setenv MPI_F77 mpifort\n setenv MPI_CC mpicc\n setenv MPI_CXX mpic++\n setenv CC $SERIAL_CC\n setenv CXX $SERIAL_CXX\n setenv F77 $SERIAL_F77\n setenv FC $SERIAL_FC\n unsetenv F90 # This seems to be set by default on NCAR's Cheyenne and is problematic\n unsetenv F90FLAGS\n#\n\n#\n# unset envioronment variables that would conflict with this installation\n#\n\n unsetenv LDFLAGS\n unsetenv CPPFLAGS\n\n# --------------------\n# Set directory for CMAQ Libraries \n# -------------------\n\n mkdir -p $cwd/LIBRARIES_intel\n setenv INSTDIR $cwd/LIBRARIES_intel\n\n# ---------\n# Build Zlib\n# ----------\n cd ${INSTDIR}\n wget https://github.com/madler/zlib/releases/download/v1.3/zlib-1.3.tar.gz\n tar -xzvf zlib-1.3.tar.gz\n cd zlib-1.3\n ./configure --prefix=${INSTDIR}\n make install |& tee make.install.zlib.log\n\n\n# ---------\n# Build libzip\n# ----------\n#cd ${INSTDIR}\n#wget https://libzip.org/download/libzip-1.11.3.tar.gz\n#tar -xzvf libzip-1.11.3.tar.gz\n#cd libzip-1.11.3\n#mkdir build\n#cd build\n#cmake -DBUILD_SHARED_LIBS=OFF -DCMAKE_INSTALL_PREFIX=$INSTDIR -DCMAKE_C_COMPILER=icc ..\n##setenv ZIP_STATIC TRUE\n#cmake -DBUILD_SHARED_LIBS=ON -DCMAKE_INSTALL_PREFIX=$INSTDIR -DCMAKE_C_COMPILER=icc ..\n#make\n#make install\n### copy the libraries from lib64 to lib\n#cd $INSTDIR/lib64\n#mkdir ../lib\n#cp * ../lib\n\n#-----\n# Build szip\n# -------\ncd $INSTDIR\nwget https://docs.hdfgroup.org/archive/support/ftp/lib-external/szip/2.1.1/src/szip-2.1.1.tar.gz\ntar -xzvf szip-2.1.1.tar.gz\ncd szip-2.1.1\n./configure --prefix=${INSTDIR}\nmake install |& tee make.install.szip.log\n\n\n\n# ----------------------\n# Build and install curl\n# ---------------------\n\n cd ${INSTDIR}\n wget https://curl.se/download/curl-8.11.1.tar.gz\n tar -xzvf curl-8.11.1.tar.gz\n cd curl-8.11.1\n ./configure --prefix=${INSTDIR} --without-ssl --without-libpsl --with-zlib=${INSTDIR}/\n make |& tee make.curl.log\n make install |& tee make.install.curl.log\n\n\n# -----------------------\n# Download and build HDF5\n# -----------------------\n cd ${INSTDIR}\n wget https://support.hdfgroup.org/ftp/HDF5/releases/hdf5-1.10/hdf5-1.10.5/src/hdf5-1.10.5.tar.gz\n tar xvf hdf5-1.10.5.tar.gz\n rm -f hdf5-1.10.5.tar.gz\n cd hdf5-1.10.5\n setenv CFLAGS \"-O3\"\n setenv FFLAGS \"-O3\"\n setenv CXXFLAGS \"-O3\"\n setenv FCFLAGS \"-O3\"\n setenv LDFLAGS \"-L${INSTDIR}/lib\"\n setenv CPPFLAGS \"-I${INSTDIR}/include\"\n setenv LIBS \"-lz -ldl -lm\"\n ./configure --prefix=${INSTDIR} --enable-fortran --enable-cxx --with-zlib=${INSTDIR}/include,${INSTDIR}/lib -enable-shared --enable-hl -Wno-implicit-function-declaration -Wno-implicit-int\n make -j 4 |& tee make.intel.log \n# make check > make.intel.check\n make install |& tee make.intel.log\n# ---------------------------\n# Download and build netCDF-C\n# ---------------------------\n cd ${INSTDIR}\n wget https://github.com/Unidata/netcdf-c/archive/refs/tags/v4.8.1.tar.gz\n tar xvf v4.8.1.tar.gz\n cd netcdf-c-4.8.1\n setenv CPPFLAGS \"-I${INSTDIR}/include\"\n setenv LDFLAGS \"-L${INSTDIR}/lib\"\n ./configure --with-pic --enable-netcdf-4 --disable-nczarr --disable-dap --enable-shared --prefix=${INSTDIR} --with-zlib=${INSTDIR}/include,${INSTDIR}/lib\n make -j 4 |& tee make.intel.log\n make install\n# ---------------------------------\n# Download and build netCDF-Fortran\n# ---------------------------------\n cd ${INSTDIR}\n wget https://github.com/Unidata/netcdf-fortran/archive/refs/tags/v4.5.3.tar.gz\n # installation instructions\n tar xvf v4.5.3.tar.gz\n cd netcdf-fortran-4.5.3\n ## Note, if non-standard locaions are used for the following compilers, you may need to specify their locations here: \n setenv LIBS \"-L${INSTDIR}/lib -lnetcdf -lhdf5_hl -lhdf5 -lm -ldl -lz -lcurl \"\n setenv NCDIR ${INSTDIR}\n # setenv LIBS \"-lnetcdf\"\n setenv CPPFLAGS \"-I${INSTDIR}/include\"\n setenv LDFLAGS \"-L${INSTDIR}/lib\"\n setenv LD_LIBRARY_PATH ${INSTDIR}/lib:${LD_LIBRARY_PATH}\n ./configure --with-pic --enable-shared --prefix=${INSTDIR}\n make -j 4 |& tee make.intel.log \n make install\n# -----------------------------\n# Download and build netCDF-CXX\n# -----------------------------\n# cd $INSTDIR\n# wget https://github.com/Unidata/netcdf-cxx4/archive/refs/tags/v4.3.1.tar.gz\n# tar xvf v4.3.1.tar.gz\n# cd netcdf-cxx4-4.3.1\n# ./configure --with-pic --enable-shared --prefix=$INSTDIR\n# make |& tee make.intel.log\n# make install\n# --------------------------\n# Download and build OpenMPI\n# --------------------------\n# cd $INSTDIR\n# wget https://download.open-mpi.org/release/open-mpi/v3.1/openmpi-3.1.4.tar.gz\n# tar xvf openmpi-3.1.4.tar.gz\n# rm -f openmpi-3.1.4.tar.gz\n# cd openmpi-3.1.4\n# export CFLAGS=\"-O3\"\n# export FFLAGS=\"-O3\"\n# export CXXFLAGS=\"-O3\"\n# export FCFLAGS=\"-O3\"\n# ./configure --prefix=$INSTDIR --enable-mpi-cxx\n# make |& tee make.intel.log\n## make check > make.intel.check\n# make install\n# ----------------------------------\n# Download and build Parallel netCDF\n# ----------------------------------\n# NOTE: the openmpi directory path is hard coded on this script and needs to be updated for your local machine\n##\n#cd $INSTDIR\n# wget https://parallel-netcdf.github.io/Release/pnetcdf-1.12.1.tar.gz\n# tar xvf pnetcdf-1.12.1.tar.gz\n# rm -f pnetcdf-1.12.1.tar.gz\n# cd pnetcdf-1.12.1\n# #export CFLAGS=\"-O3 -fPIC\"\n# #export FFLAGS=\"-O3 -fPIC\"\n# #export CXXFLAGS=\"-O3 -fPIC\"\n# #export FCFLAGS=\"-O3 -fPIC\"\n# #./configure --prefix=$INSTDIR MPIF77=mpif90 MPIF90=mpif90 MPICC=mpicc MPICXX=mpicxx --with-mpi=/nas/longleaf/rhel8/apps/openmpi/4.1.4\n# ./configure --prefix=$INSTDIR MPIF77=mpif90 MPIF90=mpif90 MPICC=mpicc MPICXX=mpicxx --with-mpi=/nas/longleaf/rhel8/apps/openmpi/4.1.4\n# make |& tee make.intel.log\n# make install\n# ----------------------------------------\n# Use tcsh 6.20 instead of the broken 6.21\n# ----------------------------------------\n# cd /shared/build-hdf5\n# wget http://ftp.funet.fi/pub/mirrors/ftp.astron.com/pub/tcsh/old/tcsh-6.20.00.tar.gz\n# tar xvf tcsh-6.20.00.tar.gz\n# rm -f tcsh-6.20.00.tar.gz\n# cd tcsh-6.20.00\n# ./configure --disable-nls\n# make > make.intel.log 2>&1\n# make install\n# ln -s /usr/local/bin/tcsh /bin/csh\n# ----------------------\n# Download and build vim\n# ----------------------\n# cd /usr/local/src\n# git clone https://github.com/vim/vim.git vim\n# cd vim\n# ./configure\n# make > make.intel.log 2>&1\n# make install\n# cd /usr/local/bin\n# ln -s vim vi\n\n# install test\n cd $INSTDIR/bin\n ls h5diff\n whereis h5diff\n ./nc-config --version\n ./nf-config --version\n #ncxx4-config --version\n" }, { "path": "DOCS/Users_Guide/Tutorials/scripts/cmaq_libraries/intel_20.2_install_cmaq55_cb6r5_m3dry_for_nc4_compression.csh", "content": "#!/bin/csh -f\n\n# -----------------------\n# Download and build CMAQ\n# -----------------------\n# NOTE - please change the BUILD, CMAQ_HOME and OPENMPI directory to your local paths\n# To find the openmpi path, search for mpirun, and then look for the include and lib directories\n# > which mpirun\nsetenv BUILD $cwd/LIBRARIES_intel\nsetenv IOAPI_DIR $BUILD/ioapi-3.2/Linux2_x86_64ifort\nsetenv NETCDF_DIR $BUILD/lib\nsetenv NETCDFF_DIR $BUILD/lib\n# Load the OPENMPI module \n# EDIT this module load command to match the module available on your machine\nmodule load openmpi/4.1.4-intel_20.2\n# EDIT this path to specify the location of the mpirun path, find using which mpirun after loading the openmpi module \nsetenv OPENMPI /nas/longleaf/rhel8/apps/openmpi/4.1.4 \ncd $BUILD/..\n#git clone -b 55 https://github.com/USEPA/CMAQ/CMAQ.git CMAQ_REPO_v55\ngit clone -b main ssh://github.com/USEPA/CMAQ.git CMAQ_REPO_v55\n\necho \"downloaded CMAQv55\"\ncd CMAQ_REPO_v55\ncd $BUILD/../CMAQ_REPO_v55/\n# Change CMAQ_HOME to a local directory\n #This will remove # from the start of line 102 or add it if it wasn't already there:\n sed -i '19s/^#/\\n/; 19s/^[^\\n]/#&/; 19s/^\\n//' bldit_project.csh\n # EDIT this path to specify the BUILD directory set above \n sed -i '20i set CMAQ_HOME = /work/users/l/i/lizadams/test_nc4/openmpi_intel' bldit_project.csh\n\nset CMAQ_HOME = $BUILD/../openmpi_intel\nmkdir $BUILD/../openmpi_intel\n./bldit_project.csh\n\n # edit config_cmaq.csh to specify the library locations\n cd $BUILD/../openmpi_intel/\n # EDIT this path to specify the location of the BUILD directory set above\n sed -i '81i \\ setenv BUILD /work/users/l/i/lizadams/test_nc4/LIBRARIES_intel' config_cmaq.csh\n # EDIT this path to specify the location of the mpirun path, find using which mpirun after loading the openmpi module \n sed -i '82i \\ setenv OPENMPI /nas/longleaf/rhel8/apps/openmpi/4.1.4' config_cmaq.csh\n sed -i 's@ioapi_inc_intel@$BUILD\\/ioapi-3.2\\/ioapi\\/fixed_src@g' config_cmaq.csh\n sed -i 's@ioapi_lib_intel@$BUILD\\/ioapi-3.2\\/Linux2_x86_64ifort@g' config_cmaq.csh\n sed -i 's@netcdf_lib_intel@$BUILD\\/lib@g' config_cmaq.csh\n sed -i 's@netcdf_inc_intel@$BUILD\\/include@g' config_cmaq.csh\n sed -i 's@netcdff_lib_intel@$BUILD\\/lib@g' config_cmaq.csh\n sed -i 's@netcdff_inc_intel@$BUILD\\/include@g' config_cmaq.csh\n sed -i 's@mpi_incl_intel@$OPENMPI\\/include@g' config_cmaq.csh\n sed -i 's@mpi_lib_intel@$OPENMPI\\/lib@g' config_cmaq.csh\n #edit the config_cmaq.csh to use -fopenmp due to it being used by default for I/O API Library\n sed -i '172i \\ setenv myLINK_FLAG -qopenmp' config_cmaq.csh\n #edit the config_cmaq.csh to add extra libraries\n sed -i 's@-lnetcdf\\\" #@-lnetcdf -lcurl -lhdf5 -lhdf5_hl \\\" #@g' config_cmaq.csh\n #edit the config_cmaq.csh to change mpiifort to mpifort\n sed -i -e 's/mpiifort/mpifort/g' config_cmaq.csh\ncd $CMAQ_HOME/CCTM/scripts/\n cp bldit_cctm.csh bldit_cctmv55_cb6r5_m3dry.csh\n # Add extra libs to support nc4 compression in config_cmaq.csh\n # -lnetcdf -lhdf5_hl -lhdf5 -lm -ldl -lz -lcurl\n setenv extra_lib \"-lnetcdf -lhdf5_hl -lhdf5 -lm -ldl -lz -lsz -lcurl\"\n # Add openmp flag to match what was used in I/O API in config_cmaq.csh\n # setenv myLINK_FLAG \"-fopenmp\" # openMP not supported w/ CMAQ\n\n./bldit_cctmv55_cb6r5_m3dry.csh intel |& tee ./bldit_cctmv55_cb6r5_m3dry_intel.log\n# Verify that the executable was created.\nls -rlt BLD_CCTM_v55_intel_cb6r5_ae7_aq_m3dry/*.exe\n\n\n#Note, to run CMAQ, please create modules or set the LD_LIBRARY_PATH to include the directories for $BUILD/lib at run time.\n\n##see this tutorial for instructions to install modules: \n##https://pcluster-cmaq.readthedocs.io/en/latest/user_guide_pcluster/developers_guide/cmaq-vm/install.html#install-environment-modules\n## If you have modules on your machine, you can create custom modules\n## https://pcluster-cmaq.readthedocs.io/en/latest/user_guide_pcluster/developers_guide/cmaq-vm/install.html#create-custom-environment-module-for-libraries\n\n\n" }, { "path": "DOCS/Users_Guide/Tutorials/scripts/cmaq_libraries/intel_20.2_install_ioapi_for_nc4_compression.csh", "content": "#!/bin/csh -f\n# Build I/O API version that supports NCF4 \n# Note - this script works for intel 20.2\nset echo\n\n# Install used tcsh and intel and openmpi\n# module load intel/20.2 openmpi/4.1.4-intel_20.2\n\n setenv INSTDIR $cwd/LIBRARIES_intel\n cd $INSTDIR\n\n# --------------------------------------\n# Add to the library path\n# --------------------------------------\n if (! $?LD_LIBRARY_PATH) then\n setenv LD_LIBRARY_PATH $INSTDIR/lib\n else\n setenv LD_LIBRARY_PATH ${LD_LIBRARY_PATH}:$INSTDIR/lib\n endif\n# ----------------------\n# Unpack and build IOAPI\n# ----------------------\n git clone ssh://github.com/cjcoats/ioapi-3.2\n #git clone https://github.com/cjcoats/ioapi-3.2\n cd ioapi-3.2\n git checkout -b 20200828\n setenv BASEDIR $INSTDIR/ioapi-3.2\n setenv BIN Linux2_x86_64ifort\n mkdir $BASEDIR/$BIN\n setenv CPLMODE nocpl\n # Edit Makefile or use syntax: make BIN=Linux2_x86_64pg CPLMODE=nocpl INSTALL=$INSTDIR\n cd $BASEDIR/ioapi\n # Copy the Makefile template\n cp $BASEDIR/ioapi/Makefile.$CPLMODE ${BASEDIR}/ioapi/Makefile\n cp ${BASEDIR}/m3tools/Makefile.$CPLMODE ${BASEDIR}/m3tools/Makefile\n # Modify to specify the path of the netcdf libraries\n sed -i 's/\\-lnetcdff/\\-L\\$\\{HOME\\}\\/lib \\-lnetcdff \\-lnetcdf \\-lhdf5_hl \\-lhdf5 \\-lm \\-lz \\-lsz \\-lcurl/g' ${BASEDIR}/m3tools/Makefile\n # need updated Makefile to include ‘-DIOAPI_NCF4=1’ to the MFLAGS make-variable to avoid multiple definition of `nf_get_vara_int64_’\n # Makefile can be edited to use these options instead of the default options\n # VFLAG = -DVERSION='3.2-nocpl-ncf4'\n # DEFINEFLAGS = -DIOAPI_NCF4=1 $(ARCHFLAGS) $(PARFLAGS)\n #This will remove # from the start of line 102 or add it if it wasn't already there:\n sed -i '102s/^#/\\n/; 102s/^[^\\n]/#&/; 102s/^\\n//' Makefile\n sed -i '100s/^#/\\n/; 100s/^[^\\n]/#&/; 100s/^\\n//' Makefile\n sed -i '109s/^#/\\n/; 109s/^[^\\n]/#&/; 109s/^\\n//' Makefile\n sed -i '111s/^#/\\n/; 111s/^[^\\n]/#&/; 111s/^\\n//' Makefile\n #sed -i -e 's/m64/m64 -DIOAPI_NCF4=1/g' Makeinclude.Linux2_x86_64ifort \n sed -i -e 's/-openmp/#-openmp/g' Makeinclude.Linux2_x86_64ifort\n make HOME=$INSTDIR | & tee make.ioapi.log\n cd $INSTDIR/ioapi-3.2/m3tools\n make HOME=$INSTDIR | & tee make.m3tools.log\n" }, { "path": "DOCS/Users_Guide/Tutorials/scripts/cmaq_libraries/intel_20.2_install_netcdf_for_nc4_compression.csh", "content": "#!/bin/csh -f\nset echo\n\n#\n# Install used tcsh and intel and openmpi\nmoudule load openmpi/4.1.4-intel_20.2\n#\n\n /bin/tcsh --version\n ifort --version\n icc --version\n module list | grep openmpi\n which mpirun\n\n# compilers\n setenv SERIAL_FC ifort\n setenv SERIAL_F77 ifort\n setenv SERIAL_CC icc\n setenv SERIAL_CXX icpc\n setenv MPI_FC mpifort\n setenv MPI_F77 mpifort\n setenv MPI_CC mpicc\n setenv MPI_CXX mpic++\n setenv CC $SERIAL_CC\n setenv CXX $SERIAL_CXX\n setenv F77 $SERIAL_F77\n setenv FC $SERIAL_FC\n unsetenv F90 # This seems to be set by default on NCAR's Cheyenne and is problematic\n unsetenv F90FLAGS\n#\n\n#\n# unset envioronment variables that would conflict with this installation\n#\n\n unsetenv LDFLAGS\n unsetenv CPPFLAGS\n\n# --------------------\n# Set directory for CMAQ Libraries \n# -------------------\n\n mkdir -p $cwd/LIBRARIES_intel\n setenv INSTDIR $cwd/LIBRARIES_intel\n\n# ---------\n# Build Zlib\n# ----------\n cd ${INSTDIR}\n wget https://github.com/madler/zlib/releases/download/v1.3/zlib-1.3.tar.gz\n tar -xzvf zlib-1.3.tar.gz\n cd zlib-1.3\n ./configure --prefix=${INSTDIR}\n make install |& tee make.install.zlib.log\n\n\n# ---------\n# Build libzip\n# ----------\ncd ${INSTDIR}\nwget https://libzip.org/download/libzip-1.11.3.tar.gz\ntar -xzvf libzip-1.11.3.tar.gz\ncd libzip-1.11.3\nmkdir build\ncd build\ncmake -DBUILD_SHARED_LIBS=OFF -DCMAKE_INSTALL_PREFIX=$INSTDIR -DCMAKE_C_COMPILER=icc ..\n#setenv ZIP_STATIC TRUE\ncmake -DBUILD_SHARED_LIBS=ON -DCMAKE_INSTALL_PREFIX=$INSTDIR -DCMAKE_C_COMPILER=icc ..\nmake\nmake install\n## copy the libraries from lib64 to lib\ncd $INSTDIR/lib64\nmkdir ../lib\ncp * ../lib\n\n#-----\n# Build szip\n# -------\ncd $INSTDIR\nwget https://docs.hdfgroup.org/archive/support/ftp/lib-external/szip/2.1.1/src/szip-2.1.1.tar.gz\ntar -xzvf szip-2.1.1.tar.gz\ncd szip-2.1.1\n./configure --prefix=${INSTDIR}\nmake install |& tee make.install.szip.log\n\n\n\n# ----------------------\n# Build and install curl\n# ---------------------\n\n cd ${INSTDIR}\n wget https://curl.se/download/curl-8.11.1.tar.gz\n tar -xzvf curl-8.11.1.tar.gz\n cd curl-8.11.1\n ./configure --prefix=${INSTDIR} --without-ssl --without-libpsl --with-zlib=${INSTDIR}/\n make |& tee make.curl.log\n make install |& tee make.install.curl.log\n\n\n# -----------------------\n# Download and build HDF5\n# -----------------------\n cd ${INSTDIR}\n wget https://support.hdfgroup.org/ftp/HDF5/releases/hdf5-1.10/hdf5-1.10.5/src/hdf5-1.10.5.tar.gz\n tar xvf hdf5-1.10.5.tar.gz\n rm -f hdf5-1.10.5.tar.gz\n cd hdf5-1.10.5\n setenv CFLAGS \"-O3\"\n setenv FFLAGS \"-O3\"\n setenv CXXFLAGS \"-O3\"\n setenv FCFLAGS \"-O3\"\n setenv LDFLAGS \"-L${INSTDIR}/lib\"\n setenv CPPFLAGS \"-I${INSTDIR}/include\"\n setenv LIBS \"-lz -ldl -lm\"\n ./configure --prefix=${INSTDIR} --enable-fortran --enable-cxx --with-zlib=${INSTDIR}/include,${INSTDIR}/lib -enable-shared --enable-hl -Wno-implicit-function-declaration -Wno-implicit-int\n make -j 4 |& tee make.intel.log \n# make check > make.intel.check\n make install |& tee make.intel.log\n# ---------------------------\n# Download and build netCDF-C\n# ---------------------------\n cd ${INSTDIR}\n wget https://github.com/Unidata/netcdf-c/archive/refs/tags/v4.8.1.tar.gz\n tar xvf v4.8.1.tar.gz\n cd netcdf-c-4.8.1\n setenv CPPFLAGS \"-I${INSTDIR}/include\"\n setenv LDFLAGS \"-L${INSTDIR}/lib\"\n ./configure --with-pic --enable-netcdf-4 --disable-nczarr --disable-dap --enable-shared --prefix=${INSTDIR} --with-zlib=${INSTDIR}/include,${INSTDIR}/lib\n make -j 4 |& tee make.intel.log\n make install\n# ---------------------------------\n# Download and build netCDF-Fortran\n# ---------------------------------\n cd ${INSTDIR}\n wget https://github.com/Unidata/netcdf-fortran/archive/refs/tags/v4.5.3.tar.gz\n # installation instructions\n tar xvf v4.5.3.tar.gz\n cd netcdf-fortran-4.5.3\n ## Note, if non-standard locaions are used for the following compilers, you may need to specify their locations here: \n setenv LIBS \"-L${INSTDIR}/lib -lnetcdf -lhdf5_hl -lhdf5 -lm -ldl -lz -lcurl \"\n setenv NCDIR ${INSTDIR}\n # setenv LIBS \"-lnetcdf\"\n setenv CPPFLAGS \"-I${INSTDIR}/include\"\n setenv LDFLAGS \"-L${INSTDIR}/lib\"\n setenv LD_LIBRARY_PATH ${INSTDIR}/lib:${LD_LIBRARY_PATH}\n ./configure --with-pic --enable-shared --prefix=${INSTDIR}\n make -j 4 |& tee make.intel.log \n make install\n# -----------------------------\n# Download and build netCDF-CXX\n# -----------------------------\n# cd $INSTDIR\n# wget https://github.com/Unidata/netcdf-cxx4/archive/refs/tags/v4.3.1.tar.gz\n# tar xvf v4.3.1.tar.gz\n# cd netcdf-cxx4-4.3.1\n# ./configure --with-pic --enable-shared --prefix=$INSTDIR\n# make |& tee make.intel.log\n# make install\n# --------------------------\n# Download and build OpenMPI\n# --------------------------\n# cd $INSTDIR\n# wget https://download.open-mpi.org/release/open-mpi/v3.1/openmpi-3.1.4.tar.gz\n# tar xvf openmpi-3.1.4.tar.gz\n# rm -f openmpi-3.1.4.tar.gz\n# cd openmpi-3.1.4\n# export CFLAGS=\"-O3\"\n# export FFLAGS=\"-O3\"\n# export CXXFLAGS=\"-O3\"\n# export FCFLAGS=\"-O3\"\n# ./configure --prefix=$INSTDIR --enable-mpi-cxx\n# make |& tee make.intel.log\n## make check > make.intel.check\n# make install\n# ----------------------------------\n# Download and build Parallel netCDF\n# ----------------------------------\n# NOTE: the openmpi directory path is hard coded on this script and needs to be updated for your local machine\n##\n#cd $INSTDIR\n# wget https://parallel-netcdf.github.io/Release/pnetcdf-1.12.1.tar.gz\n# tar xvf pnetcdf-1.12.1.tar.gz\n# rm -f pnetcdf-1.12.1.tar.gz\n# cd pnetcdf-1.12.1\n# #export CFLAGS=\"-O3 -fPIC\"\n# #export FFLAGS=\"-O3 -fPIC\"\n# #export CXXFLAGS=\"-O3 -fPIC\"\n# #export FCFLAGS=\"-O3 -fPIC\"\n# #./configure --prefix=$INSTDIR MPIF77=mpif90 MPIF90=mpif90 MPICC=mpicc MPICXX=mpicxx --with-mpi=/nas/longleaf/rhel8/apps/openmpi/4.1.4\n# ./configure --prefix=$INSTDIR MPIF77=mpif90 MPIF90=mpif90 MPICC=mpicc MPICXX=mpicxx --with-mpi=/nas/longleaf/rhel8/apps/openmpi/4.1.4\n# make |& tee make.intel.log\n# make install\n# ----------------------------------------\n# Use tcsh 6.20 instead of the broken 6.21\n# ----------------------------------------\n# cd /shared/build-hdf5\n# wget http://ftp.funet.fi/pub/mirrors/ftp.astron.com/pub/tcsh/old/tcsh-6.20.00.tar.gz\n# tar xvf tcsh-6.20.00.tar.gz\n# rm -f tcsh-6.20.00.tar.gz\n# cd tcsh-6.20.00\n# ./configure --disable-nls\n# make > make.intel.log 2>&1\n# make install\n# ln -s /usr/local/bin/tcsh /bin/csh\n# ----------------------\n# Download and build vim\n# ----------------------\n# cd /usr/local/src\n# git clone https://github.com/vim/vim.git vim\n# cd vim\n# ./configure\n# make > make.intel.log 2>&1\n# make install\n# cd /usr/local/bin\n# ln -s vim vi\n\n# install test\n cd $INSTDIR/bin\n ls h5diff\n whereis h5diff\n ./nc-config --version\n ./nf-config --version\n #ncxx4-config --version\n" }, { "path": "DOCS/Users_Guide/Tutorials/scripts/cmaq_libraries/intel_2024_install_cmaq55_cb6r5_m3dry_for_nc4_compression.csh", "content": "#!/bin/csh -f\n\n# -----------------------\n# Download and build CMAQ\n# -----------------------\n# NOTE - please change the BUILD, CMAQ_HOME and OPENMPI directory to your local paths\n# To find the openmpi path, search for mpirun, and then look for the include and lib directories\n# > which mpirun\nsetenv BUILD $cwd/LIBRARIES_intel\nsetenv IOAPI_DIR $BUILD/ioapi-3.2/Linux2_x86_64ifort\nsetenv NETCDF_DIR $BUILD/lib\nsetenv NETCDFF_DIR $BUILD/lib\nsetenv OPENMPI /nas/sycamore/apps/openmpi/5.0.5-intel/\ncd $BUILD/..\n#git clone -b 55 https://github.com/USEPA/CMAQ/CMAQ.git CMAQ_REPO_v55\ngit clone -b main ssh://github.com/USEPA/CMAQ.git CMAQ_REPO_v55\n\necho \"downloaded CMAQv55\"\ncd CMAQ_REPO_v55\ncd $BUILD/../CMAQ_REPO_v55/\n# Change CMAQ_HOME to a local directory\n #This will remove # from the start of line 102 or add it if it wasn't already there:\n sed -i '19s/^#/\\n/; 19s/^[^\\n]/#&/; 19s/^\\n//' bldit_project.csh\n sed -i '20i set CMAQ_HOME = /proj/ie/proj/CMAS/CMAQ/CMAQv5.5/build_sycamore/openmpi_intel' bldit_project.csh\n\nset CMAQ_HOME = $BUILD/../openmpi_intel\nmkdir $BUILD/../openmpi_intel\n./bldit_project.csh\n# Load the Openmpi module \n# Edit this name to match what is available on your local machine\n\nmodule load openmpi_5.0.5/intel_2024.2.1 \n\n # edit config_cmaq.csh to specify the library locations\n cd $BUILD/../openmpi_intel/\n sed -i '81i \\ setenv BUILD /proj/ie/proj/CMAS/CMAQ/CMAQv5.5/build_sycamore/LIBRARIES_intel' config_cmaq.csh\n sed -i '82i \\ setenv OPENMPI /nas/sycamore/apps/openmpi/5.0.5-intel/' config_cmaq.csh\n sed -i 's@ioapi_inc_intel@$BUILD\\/ioapi-3.2\\/ioapi\\/fixed_src@g' config_cmaq.csh\n sed -i 's@ioapi_lib_intel@$BUILD\\/ioapi-3.2\\/Linux2_x86_64ifx@g' config_cmaq.csh\n sed -i 's@netcdf_lib_intel@$BUILD\\/lib@g' config_cmaq.csh\n sed -i 's@netcdf_inc_intel@$BUILD\\/include@g' config_cmaq.csh\n sed -i 's@netcdff_lib_intel@$BUILD\\/lib@g' config_cmaq.csh\n sed -i 's@netcdff_inc_intel@$BUILD\\/include@g' config_cmaq.csh\n sed -i 's@mpi_incl_intel@$OPENMPI\\/include@g' config_cmaq.csh\n sed -i 's@mpi_lib_intel@$OPENMPI\\/lib@g' config_cmaq.csh\n #edit the config_cmaq.csh to use -fopenmp due to it being used by default for I/O API Library\n sed -i '172i \\ setenv myLINK_FLAG -qopenmp' config_cmaq.csh\n #edit the config_cmaq.csh to add extra libraries\n sed -i 's@-lnetcdf\\\" #@-lnetcdf -lcurl -lhdf5 -lhdf5_hl \\\" #@g' config_cmaq.csh\ncd $BUILD/../openmpi_intel/CCTM/scripts/\n cp bldit_cctm.csh bldit_cctmv55_cb6r5_m3dry.csh\n # Add extra libs to support nc4 compression in config_cmaq.csh\n # -lnetcdf -lhdf5_hl -lhdf5 -lm -ldl -lz -lcurl\n setenv extra_lib \"-lnetcdf -lhdf5_hl -lhdf5 -lm -ldl -lz -lsz -lcurl\"\n # Add openmp flag to match what was used in I/O API in config_cmaq.csh\n # setenv myLINK_FLAG \"-fopenmp\" # openMP not supported w/ CMAQ\n\n./bldit_cctmv55_cb6r5_m3dry.csh intel |& tee ./bldit_cctmv55_cb6r5_m3dry_intel.log\n# Verify that the executable was created.\nls -rlt BLD_CCTM_v55_intel_cb6r5_ae7_aq_m3dry/*.exe\n\n\n#Note, to run CMAQ, please create modules or set the LD_LIBRARY_PATH to include the directories for $BUILD/lib at run time.\n\n##see this tutorial for instructions to install modules: \n##https://pcluster-cmaq.readthedocs.io/en/latest/user_guide_pcluster/developers_guide/cmaq-vm/install.html#install-environment-modules\n## If you have modules on your machine, you can create custom modules\n## https://pcluster-cmaq.readthedocs.io/en/latest/user_guide_pcluster/developers_guide/cmaq-vm/install.html#create-custom-environment-module-for-libraries\n\n\n" }, { "path": "DOCS/Users_Guide/Tutorials/scripts/cmaq_libraries/intel_2024_install_ioapi_for_nc4_compression.csh", "content": "#!/bin/csh -f\n# Build I/O API version that supports NCF4 \n# Note - this script works for intel 2024 \nset echo\n\n\n setenv INSTDIR $cwd/LIBRARIES_intel\n cd $INSTDIR\n\n# --------------------------------------\n# Add to the library path\n# --------------------------------------\n if (! $?LD_LIBRARY_PATH) then\n setenv LD_LIBRARY_PATH $INSTDIR/lib\n else\n setenv LD_LIBRARY_PATH ${LD_LIBRARY_PATH}:$INSTDIR/lib\n endif\n# ----------------------\n# Unpack and build IOAPI\n# ----------------------\n git clone ssh://github.com/cjcoats/ioapi-3.2\n cd ioapi-3.2\n git checkout -b 20200828\n setenv BASEDIR $INSTDIR/ioapi-3.2\n setenv BIN Linux2_x86_64ifx\n mkdir $BASEDIR/$BIN\n setenv CPLMODE nocpl\n # Edit Makefile or use syntax: make BIN=Linux2_x86_64pg CPLMODE=nocpl INSTALL=$INSTDIR\n cd $BASEDIR/ioapi\n # Copy the Makefile template\n cp $BASEDIR/ioapi/Makefile.$CPLMODE ${BASEDIR}/ioapi/Makefile\n cp ${BASEDIR}/m3tools/Makefile.$CPLMODE ${BASEDIR}/m3tools/Makefile\n # Modify to specify the path of the netcdf libraries\n sed -i 's/\\-lnetcdff/\\-L\\$\\{HOME\\}\\/lib \\-lnetcdff \\-lnetcdf \\-lhdf5_hl \\-lhdf5 \\-lm \\-lcurl \\-lz \\-lsz \\-ldl \\-lm /g' ${BASEDIR}/m3tools/Makefile\n # need updated Makefile to include ‘-DIOAPI_NCF4=1’ to the MFLAGS make-variable to avoid multiple definition of `nf_get_vara_int64_’\n # Makefile can be edited to use these options instead of the default options\n # VFLAG = -DVERSION='3.2-nocpl-ncf4'\n # DEFINEFLAGS = -DIOAPI_NCF4=1 $(ARCHFLAGS) $(PARFLAGS)\n #This will remove # from the start of line 102 or add it if it wasn't already there:\n sed -i '102s/^#/\\n/; 102s/^[^\\n]/#&/; 102s/^\\n//' Makefile\n sed -i '100s/^#/\\n/; 100s/^[^\\n]/#&/; 100s/^\\n//' Makefile\n sed -i '109s/^#/\\n/; 109s/^[^\\n]/#&/; 109s/^\\n//' Makefile\n sed -i '111s/^#/\\n/; 111s/^[^\\n]/#&/; 111s/^\\n//' Makefile\n #sed -i -e 's/m64/m64 -DIOAPI_NCF4=1/g' Makeinclude.Linux2_x86_64ifort \n # need to comment line 21 and uncomment line 17 in Makeinclude.Linux2_x86_64ifx to use generic\n # MFLAGS = -traceback (this is not currently implemented)\n sed -i -e 's/-openmp/#-openmp/g' Makeinclude.$BIN\n make HOME=$INSTDIR | & tee make.ioapi.log\n cd $INSTDIR/ioapi-3.2/m3tools\n make HOME=$INSTDIR | & tee make.m3tools.log\n" }, { "path": "DOCS/Users_Guide/Tutorials/scripts/cmaq_libraries/intel_2024_install_netcdf_for_nc4_compression.csh", "content": "#!/bin/csh -f\nset echo\n\n#\n# Install used tcsh and intel and openmpi\n# intel/2024.2.1\n#\n\n /bin/tcsh --version\n ifx --version\n icx --version\n module list | grep openmpi\n which mpirun\n\n# compilers\n setenv SERIAL_FC ifx\n setenv SERIAL_F77 ifx\n setenv SERIAL_CC icx\n setenv SERIAL_CXX icpx \n setenv MPI_FC mpif90\n setenv MPI_F77 mpif77\n setenv MPI_CC mpicc\n setenv MPI_CXX mpic++\n setenv CC $SERIAL_CC\n setenv CXX $SERIAL_CXX\n setenv F77 $SERIAL_F77\n setenv FC $SERIAL_FC\n unsetenv F90 # This seems to be set by default on NCAR's Cheyenne and is problematic\n unsetenv F90FLAGS\n#\n\n#\n# unset envioronment variables that would conflict with this installation\n#\n\n unsetenv LDFLAGS\n unsetenv CPPFLAGS\n\n# --------------------\n# Set directory for CMAQ Libraries \n# -------------------\n\n mkdir -p $cwd/LIBRARIES_intel\n setenv INSTDIR $cwd/LIBRARIES_intel\n\n # ---------\n # Build Zlib\n # ----------\n cd ${INSTDIR}\n wget https://github.com/madler/zlib/releases/download/v1.3/zlib-1.3.tar.gz\n tar -xzvf zlib-1.3.tar.gz\n cd zlib-1.3\n ./configure --prefix=${INSTDIR}\n make install |& tee make.install.zlib.log\n\n # ---------\n # Build libzip \n # ----------\ncd ${INSTDIR}\nwget https://libzip.org/download/libzip-1.11.3.tar.gz\ntar -xzvf libzip-1.11.3.tar.gz\ncd libzip-1.11.3\nmkdir build\ncd build\ncmake -DBUILD_SHARED_LIBS=OFF -DCMAKE_INSTALL_PREFIX=$cwd/LIBRARIES_intel -DCMAKE_C_COMPILER=icx ..\nsetenv ZIP_STATIC TRUE \ncmake -DBUILD_SHARED_LIBS=ON -DCMAKE_INSTALL_PREFIX=$cwd/LIBRARIES_intel -DCMAKE_C_COMPILER=icx ..\nmake\nmake install\n## copy the libraries from lib64 to lib\ncd $INSTDIR/lib64\ncp * ../lib\n\n #-----\n # Build szip\n # -------\n cd $INSTDIR\n wget https://docs.hdfgroup.org/archive/support/ftp/lib-external/szip/2.1.1/src/szip-2.1.1.tar.gz\n tar -xzvf szip-2.1.1.tar.gz\n cd szip-2.1.1\n ./configure --prefix=${INSTDIR}\n make install |& tee make.install.szip.log\n\n\n# ----------------------\n# Build and install curl\n# ---------------------\n\ncd ${INSTDIR}\n wget https://curl.se/download/curl-8.11.1.tar.gz\n tar -xzvf curl-8.11.1.tar.gz\n cd curl-8.11.1\n ./configure --prefix=${INSTDIR} --without-ssl --without-libpsl --with-zlib=${INSTDIR}/\n make |& tee make.curl.log\n make install |& tee make.install.curl.log\n\n\n# -----------------------\n# Download and install autoconf\n# due to issue building HDF5 https://www.intel.com/content/www/us/en/developer/articles/release-notes/oneapi-fortran-compiler-release-notes.html#solution-for-package-maintainers\n cd ${INSTDIR}\n wget https://ftp.gnu.org/gnu/autoconf/autoconf-2.71.tar.xz\n tar -xf autoconf-2.71.tar.xz\n cd autoconf-2.71/\n ./configure --prefix=${INSTDIR}\n time make\n make install\n\n# -----------------------\n# Download and build HDF5\n# -----------------------\n cd ${INSTDIR}\n #wget https://support.hdfgroup.org/ftp/HDF5/releases/hdf5-1.10/hdf5-1.10.5/src/hdf5-1.10.5.tar.gz\n wget https://support.hdfgroup.org/ftp/HDF5/releases/hdf5-1.14/hdf5-1.14.3/src/hdf5-1.14.3.tar.gz\n tar xvf hdf5-1.14.3.tar.gz \n cd hdf5-1.14.3\n setenv CFLAGS \"-O3\"\n setenv FFLAGS \"-O3\"\n setenv CXXFLAGS \"-O3\"\n setenv FCFLAGS \"-O3\"\n setenv LDFLAGS \"-L${INSTDIR}/lib\"\n setenv CPPFLAGS \"-I${INSTDIR}/include\"\n setenv LIBS \"-lz -ldl -lm\"\n $INSTDIR/bin/autoreconf -if\n ./configure --prefix=${INSTDIR} --enable-fortran --enable-cxx --with-zlib=${INSTDIR}/include,${INSTDIR}/lib -enable-shared --enable-hl -Wno-implicit-function-declaration -Wno-implicit-int\n make -j 4 |& tee make.intel.log \n #make check > make.intel.check\n make install |& tee make.intel.log\n# # this is putting the libraries in a different location, need to copy them\n cd hdf5\n cp -rp * $INSTDIR\n\n\n# ---------------------------\n# Download and build netCDF-C\n# ---------------------------\ncd ${INSTDIR}\n wget https://github.com/Unidata/netcdf-c/archive/refs/tags/v4.8.1.tar.gz\n tar xvf v4.8.1.tar.gz\n cd netcdf-c-4.8.1\n setenv CPPFLAGS \"-I${INSTDIR}/include\"\n setenv LDFLAGS \"-L${INSTDIR}/lib\"\n ./configure --with-pic --enable-netcdf-4 --enable-shared --disable-dap --disable-nczarr --prefix=${INSTDIR} --with-zlib=${INSTDIR}/include,${INSTDIR}/lib\n #./configure --with-pic --enable-netcdf-4 --enable-shared --disable-dap --prefix=${INSTDIR} --with-zlib=${INSTDIR}/include,${INSTDIR}/lib\n make -j 4 |& tee make.intel.log\n make install\n# ---------------------------------\n# Download and build netCDF-Fortran\n# ---------------------------------\n cd ${INSTDIR}\n wget https://github.com/Unidata/netcdf-fortran/archive/refs/tags/v4.5.3.tar.gz\n # installation instructions\n tar xvf v4.5.3.tar.gz\n cd netcdf-fortran-4.5.3\n ## Note, if non-standard locaions are used for the following compilers, you may need to specify their locations here: \n setenv LIBS \"-L${INSTDIR}/lib -lnetcdf -lhdf5_hl -lhdf5 -lm -ldl -lz -lcurl \"\n setenv NCDIR ${INSTDIR}\n # setenv LIBS \"-lnetcdf\"\n setenv CPPFLAGS \"-I${INSTDIR}/include\"\n setenv LDFLAGS \"-L${INSTDIR}/lib\"\n setenv LD_LIBRARY_PATH ${INSTDIR}/lib:${LD_LIBRARY_PATH}\n ./configure --with-pic --enable-shared --prefix=${INSTDIR}\n make -j 4 |& tee make.intel.log \n make install\n# -----------------------------\n# Download and build netCDF-CXX\n# -----------------------------\n# cd $INSTDIR\n# wget https://github.com/Unidata/netcdf-cxx4/archive/refs/tags/v4.3.1.tar.gz\n# tar xvf v4.3.1.tar.gz\n# cd netcdf-cxx4-4.3.1\n# ./configure --with-pic --enable-shared --prefix=$INSTDIR\n# make |& tee make.intel.log\n# make install\n# --------------------------\n# Download and build OpenMPI\n# --------------------------\n# cd $INSTDIR\n# wget https://download.open-mpi.org/release/open-mpi/v3.1/openmpi-3.1.4.tar.gz\n# tar xvf openmpi-3.1.4.tar.gz\n# #rm -f openmpi-3.1.4.tar.gz\n# cd openmpi-3.1.4\n# setenv CFLAGS \"-O3 -Wno-implicit-function-declaration\"\n# setenv FFLAGS \"-O3\"\n# setenv CXXFLAGS \"-O3\"\n# setenv FCFLAGS \"-O3\"\n# ./configure --prefix=$INSTDIR\n# make |& tee make.intel.log\n# # make check > make.intel.check\n# make install\n# ----------------------------------\n# Download and build Parallel netCDF\n# ----------------------------------\n# NOTE: the openmpi directory path is hard coded on this script and needs to be updated for your local machine\n##\n#cd $INSTDIR\n# wget https://parallel-netcdf.github.io/Release/pnetcdf-1.12.1.tar.gz\n# tar xvf pnetcdf-1.12.1.tar.gz\n# rm -f pnetcdf-1.12.1.tar.gz\n# cd pnetcdf-1.12.1\n# #export CFLAGS=\"-O3 -fPIC\"\n# #export FFLAGS=\"-O3 -fPIC\"\n# #export CXXFLAGS=\"-O3 -fPIC\"\n# #export FCFLAGS=\"-O3 -fPIC\"\n# #./configure --prefix=$INSTDIR MPIF77=mpif90 MPIF90=mpif90 MPICC=mpicc MPICXX=mpicxx --with-mpi=/nas/longleaf/apps/r/4.1.3/openmpi\n# ./configure --prefix=$INSTDIR MPIF77=mpif90 MPIF90=mpif90 MPICC=mpicc MPICXX=mpicxx --with-mpi=/nas/longleaf/apps-dogwood/mpi/intel_18.2/openmpi_3.1.4\n# make |& tee make.intel.log\n# make install\n# ----------------------------------------\n# Use tcsh 6.20 instead of the broken 6.21\n# ----------------------------------------\n# cd /shared/build-hdf5\n# wget http://ftp.funet.fi/pub/mirrors/ftp.astron.com/pub/tcsh/old/tcsh-6.20.00.tar.gz\n# tar xvf tcsh-6.20.00.tar.gz\n# rm -f tcsh-6.20.00.tar.gz\n# cd tcsh-6.20.00\n# ./configure --disable-nls\n# make > make.intel.log 2>&1\n# make install\n# ln -s /usr/local/bin/tcsh /bin/csh\n# ----------------------\n# Download and build vim\n# ----------------------\n# cd /usr/local/src\n# git clone https://github.com/vim/vim.git vim\n# cd vim\n# ./configure\n# make > make.intel.log 2>&1\n# make install\n# cd /usr/local/bin\n# ln -s vim vi\n\n# install test\n cd $INSTDIR/bin\n ./nc-config --version\n ./nf-config --version\n #ncxx4-config --version\n" }, { "path": "DOCS/Users_Guide/Tutorials/scripts/mpas-cmaq_libraries/iolib_installation_gcc11.4.1.sh", "content": "#!/usr/bin/env bash\n## Installation script that works with module load openmpi_5.0.5/gcc_11.4.1\n\nset -e\n\n#\n# Sources for all libraries used in this script can be found at\n# http://www2.mmm.ucar.edu/people/duda/files/mpas/sources/ \n#\n\n# Where to find sources for libraries\nexport LIBSRC=${PWD}\n\n# Where to install libraries\nexport LIBBASE=${PWD}\n\n# Compilers\nexport SERIAL_FC=gfortran\nexport SERIAL_F77=gfortran\nexport SERIAL_CC=gcc\nexport SERIAL_CXX=g++\nexport MPI_FC=mpifort\nexport MPI_F77=mpifort\nexport MPI_CC=mpicc\nexport MPI_CXX=mpicxx\n\n\nexport CC=$SERIAL_CC\nexport CXX=$SERIAL_CXX\nexport F77=$SERIAL_F77\nexport FC=$SERIAL_FC\nunset F90 # This seems to be set by default on NCAR's Cheyenne and is problematic\nunset F90FLAGS\nexport CFLAGS=\"-g\"\nexport FFLAGS=\"-g -fbacktrace -fallow-argument-mismatch\"\nexport FCFLAGS=\"-g -fbacktrace -fallow-argument-mismatch\"\nexport F77FLAGS=\"-g -fbacktrace\"\n\n\n########################################\n# MPICH\n########################################\n#tar xzvf ${LIBSRC}/mpich-3.3.1.tar.gz \n#cd mpich-3.3.1\n#./configure --prefix=${LIBBASE}\n#make -j 4\n##make check\n#make install\n##make testing\n#export PATH=${LIBBASE}/bin:$PATH\n#export LD_LIBRARY_PATH=${LIBBASE}/lib:$LD_LIBRARY_PATH\n#cd ..\n#rm -rf mpich-3.3.1\n\n########################################\n# zlib\n########################################\nwget https://www2.mmm.ucar.edu/people/duda/files/mpas/sources/zlib-1.2.11.tar.gz\ntar xzvf ${LIBSRC}/zlib-1.2.11.tar.gz\ncd zlib-1.2.11\n./configure --prefix=${LIBBASE} --static\nmake -j 24\nmake install\ncd ..\n#rm -rf zlib-1.2.11\n\n# ----------------------\n# Build and install curl\n# ---------------------\nwget https://curl.se/download/curl-8.10.1.tar.gz\ntar -xzvf curl-8.10.1.tar.gz\ncd curl-8.10.1\n./configure --prefix=${LIBBASE} --without-ssl --without-libpsl\nmake |& tee make.curl.log\nmake install |& tee make.install.curl.log\ncd ..\n\n########################################\n# HDF5\n########################################\nwget https://support.hdfgroup.org/ftp/HDF5/releases/hdf5-1.10/hdf5-1.10.5/src/hdf5-1.10.5.tar.gz\ntar xvf ${LIBSRC}/hdf5-1.10.5.tar.gz\ncd hdf5-1.10.5\nexport FC=$MPI_FC\nexport CC=$MPI_CC\nexport CXX=$MPI_CXX\n./configure --prefix=${LIBBASE} --enable-parallel --with-zlib=${LIBBASE} --disable-shared\nmake -j 4\n#make check\nmake install\ncd ..\n#rm -rf hdf5-1.10.5\n\n########################################\n# Parallel-netCDF\n########################################\nwget https://parallel-netcdf.github.io/Release/pnetcdf-1.14.0.tar.gz\ntar xzvf ${LIBSRC}/pnetcdf-1.14.0.tar.gz\ncd pnetcdf-1.14.0\nexport CC=$SERIAL_CC\nexport CXX=$SERIAL_CXX\nexport F77=$SERIAL_F77\nexport FC=$SERIAL_FC\nexport MPICC=$MPI_CC\nexport MPICXX=$MPI_CXX\nexport MPIF77=$MPI_F77\nexport MPIF90=$MPI_FC\n#### Will also need gcc in path\n./configure --prefix=${LIBBASE}\nmake -j 4\n##make check\n##make ptest\n##make testing\nmake install\nexport PNETCDF=${LIBBASE}\ncd ..\n##rm -rf pnetcdf-1.11.2\n\n########################################\n# netCDF (C library)\n########################################\nwget https://github.com/Unidata/netcdf-c/archive/refs/tags/v4.7.0.tar.gz\ntar xzvf ${LIBSRC}/v4.7.0.tar.gz\ncd netcdf-c-4.7.0\nexport CPPFLAGS=\"-I${LIBBASE}/include\"\nexport LDFLAGS=\"-L${LIBBASE}/lib\"\nexport LIBS=\"-lhdf5_hl -lhdf5 -lz -ldl\"\nexport CC=$MPI_CC\n./configure --prefix=${LIBBASE} --disable-dap --enable-netcdf4 --enable-pnetcdf --enable-cdf5 --enable-parallel-tests --disable-shared\nmake -j 4 \n#make check\nmake install\nexport NETCDF=${LIBBASE}\ncd ..\n#rm -rf netcdf-c-4.7.0\n\n########################################\n# netCDF (Fortran interface library)\n########################################\nwget https://www2.mmm.ucar.edu/people/duda/files/mpas/sources/netcdf-fortran-4.4.5.tar.gz\ntar xzvf ${LIBSRC}/netcdf-fortran-4.4.5.tar.gz\ncd netcdf-fortran-4.4.5\nexport FC=$MPI_FC\nexport F77=$MPI_F77\nexport LIBS=\"-lnetcdf -lzip -lcurl -lpnetcdf ${LIBS}\"\nLD_LIBRARY_PATH_old=\"$LD_LIBRARY_PATH\"\nexport LD_LIBRARY_PATH=\"${LIBBASE}/lib:${LD_LIBRARY_PATH}\"\n./configure --prefix=${LIBBASE} --enable-parallel-tests --disable-shared\nmake -j 4\n#make check\nmake install\ncd ..\n#rm -rf netcdf-fortran-4.4.5\n\n########################################\n# PIO\n########################################\n#rm -rf ParallelIO\ngit clone ssh://github.com/NCAR/ParallelIO\ncd ParallelIO\ngit checkout -b pio-2.5.10 pio2_5_10\nexport PIOSRC=`pwd`\ncd ..\nmkdir pio\ncd pio\nexport CC=$MPI_CC\nexport FC=$MPI_FC\nexport LIBS=\"-lnetcdf\"\nexport LD_LIBRARY_PATH=\"$LD_LIBRARY_PATH_old\"\ncmake -DNetCDF_C_PATH=$NETCDF -DNetCDF_Fortran_PATH=$NETCDF -DPnetCDF_PATH=$PNETCDF -DHDF5_PATH=$NETCDF -DCMAKE_INSTALL_PREFIX=$LIBBASE -DPIO_USE_MALLOC=ON -DCMAKE_VERBOSE_MAKEFILE=1 -DPIO_ENABLE_TIMING=OFF $PIOSRC\nmake\n#make check\nmake install\ncd ..\n#rm -rf pio ParallelIO\nexport PIO=$LIBBASE\n\n########################################\n# Other environment vars needed by MPAS\n########################################\nexport MPAS_EXTERNAL_LIBS=\"-L${LIBBASE}/lib -lhdf5_hl -lhdf5 -ldl -lz\"\nexport MPAS_EXTERNAL_INCLUDES=\"-I${LIBBASE}/include\"\n" }, { "path": "DOCS/Users_Guide/Tutorials/scripts/mpas-cmaq_libraries/iolib_installation_gcc9.1.sh", "content": "#!/usr/bin/env bash\n## Installation script that works with gcc version 9.1 and openmpi version openmpi_4.0.1\n\n#\n# Sources for all libraries used in this script can be found at\n# http://www2.mmm.ucar.edu/people/duda/files/mpas/sources/ \n#\n\n# Where to find sources for libraries\nexport LIBSRC=$PWD\n\n# Where to install libraries\nexport LIBBASE=$PWD\n\n# Compilers\nexport SERIAL_FC=gfortran\nexport SERIAL_F77=gfortran\nexport SERIAL_CC=gcc\nexport SERIAL_CXX=g++\nexport MPI_FC=mpifort\nexport MPI_F77=mpifort\nexport MPI_CC=mpicc\nexport MPI_CXX=mpic++\n\n\nexport CC=$SERIAL_CC\nexport CXX=$SERIAL_CXX\nexport F77=$SERIAL_F77\nexport FC=$SERIAL_FC\nunset F90 # This seems to be set by default on NCAR's Cheyenne and is problematic\nunset F90FLAGS\nexport CFLAGS=\"-g\"\nexport FFLAGS=\"-g -fbacktrace\"\nexport FCFLAGS=\"-g -fbacktrace\"\nexport F77FLAGS=\"-g -fbacktrace\"\n\n# commented out to use openmpi that is pre-installed\n########################################\n# MPICH\n########################################\n#tar xzvf ${LIBSRC}/mpich-3.3.1.tar.gz \n#cd mpich-3.3.1\n#./configure --prefix=${LIBBASE}\n#make -j 4\n##make check\n#make install\n##make testing\n#export PATH=${LIBBASE}/bin:$PATH\n#export LD_LIBRARY_PATH=${LIBBASE}/lib:$LD_LIBRARY_PATH\n#cd ..\n#rm -rf mpich-3.3.1\n\n########################################\n# zlib\n########################################\nwget https://www2.mmm.ucar.edu/people/duda/files/mpas/sources/zlib-1.2.11.tar.gz\ntar xzvf ${LIBSRC}/zlib-1.2.11.tar.gz\ncd zlib-1.2.11\n./configure --prefix=${LIBBASE} --static\nmake -j 4\nmake install\ncd ..\nrm -rf zlib-1.2.11\n\n########################################\n# HDF5\n########################################\nwget https://www2.mmm.ucar.edu/people/duda/files/mpas/sources/hdf5-1.10.5.tar.bz2\ntar xjvf ${LIBSRC}/hdf5-1.10.5.tar.bz2\ncd hdf5-1.10.5\nexport FC=$MPI_FC\nexport CC=$MPI_CC\nexport CXX=$MPI_CXX\n./configure --prefix=${LIBBASE} --enable-parallel --with-zlib=${LIBBASE} --disable-shared\nmake -j 4\n#make check\nmake install\ncd ..\nrm -rf hdf5-1.10.5\n\n########################################\n# Parallel-netCDF\n########################################\nwget https://www2.mmm.ucar.edu/people/duda/files/mpas/sources/pnetcdf-1.11.2.tar.gz\ntar xzvf ${LIBSRC}/pnetcdf-1.11.2.tar.gz\ncd pnetcdf-1.11.2\nexport CC=$SERIAL_CC\nexport CXX=$SERIAL_CXX\nexport F77=$SERIAL_F77\nexport FC=$SERIAL_FC\nexport MPICC=$MPI_CC\nexport MPICXX=$MPI_CXX\nexport MPIF77=$MPI_F77\nexport MPIF90=$MPI_FC\n### Will also need gcc in path\n./configure --prefix=${LIBBASE}\nmake -j 4\n#make check\n#make ptest\n#make testing\nmake install\nexport PNETCDF=${LIBBASE}\ncd ..\nrm -rf pnetcdf-1.11.2\n\n########################################\n# netCDF (C library)\n########################################\nwget https://www2.mmm.ucar.edu/people/duda/files/mpas/sources/netcdf-c-4.7.0.tar.gz\ntar xzvf ${LIBSRC}/netcdf-c-4.7.0.tar.gz\ncd netcdf-c-4.7.0\nexport CPPFLAGS=\"-I${LIBBASE}/include\"\nexport LDFLAGS=\"-L${LIBBASE}/lib\"\nexport LIBS=\"-lhdf5_hl -lhdf5 -lz -ldl\"\nexport CC=$MPI_CC\n./configure --prefix=${LIBBASE} --disable-dap --enable-netcdf4 --enable-pnetcdf --enable-cdf5 --enable-parallel-tests --disable-shared\nmake -j 4 \n#make check\nmake install\nexport NETCDF=${LIBBASE}\ncd ..\nrm -rf netcdf-c-4.7.0\n\n########################################\n# netCDF (Fortran interface library)\n########################################\nwget https://www2.mmm.ucar.edu/people/duda/files/mpas/sources/netcdf-fortran-4.4.5.tar.gz\ntar xzvf ${LIBSRC}/netcdf-fortran-4.4.5.tar.gz\ncd netcdf-fortran-4.4.5\nexport FC=$MPI_FC\nexport F77=$MPI_F77\nexport LIBS=\"-lnetcdf ${LIBS}\"\n./configure --prefix=${LIBBASE} --enable-parallel-tests --disable-shared\nmake -j 4\n#make check\nmake install\ncd ..\nrm -rf netcdf-fortran-4.4.5\n\n########################################\n# PIO\n########################################\ngit clone https://github.com/NCAR/ParallelIO\ncd ParallelIO\ngit checkout -b pio-2.4.4 pio2_4_4\nexport PIOSRC=`pwd`\ncd ..\nmkdir pio\ncd pio\nexport CC=$MPI_CC\nexport FC=$MPI_FC\ncmake -DNetCDF_C_PATH=$NETCDF -DNetCDF_Fortran_PATH=$NETCDF -DPnetCDF_PATH=$PNETCDF -DHDF5_PATH=$NETCDF -DCMAKE_INSTALL_PREFIX=$LIBBASE -DPIO_USE_MALLOC=ON -DCMAKE_VERBOSE_MAKEFILE=1 -DPIO_ENABLE_TIMING=OFF $PIOSRC\nmake\n#make check\nmake install\ncd ..\nrm -rf pio ParallelIO\nexport PIO=$LIBBASE\n\n########################################\n# Other environment vars needed by MPAS\n########################################\nexport MPAS_EXTERNAL_LIBS=\"-L${LIBBASE}/lib -lhdf5_hl -lhdf5 -ldl -lz\"\nexport MPAS_EXTERNAL_INCLUDES=\"-I${LIBBASE}/include\"\n" }, { "path": "DOCS/Users_Guide/Tutorials/scripts/mpas-cmaq_libraries/iolib_installation_intel_18.2.sh", "content": "#!/usr/bin/env bash\n# Script works for module load intel/18.2 and openmpi_3.1.4/intel_18.2 modules\n\n#\n# Sources for all libraries used in this script can be found at\n# http://www2.mmm.ucar.edu/people/duda/files/mpas/sources/ \n#\n\n# Where to find sources for libraries\nexport LIBSRC=$PWD\n\n# Where to install libraries\nexport LIBBASE=$PWD\n\n# Compilers\nexport SERIAL_FC=ifort\nexport SERIAL_F77=ifort\nexport SERIAL_CC=icc\nexport SERIAL_CXX=icpc\nexport MPI_FC=mpif90\nexport MPI_F77=mpif77\nexport MPI_CC=mpicc\nexport MPI_CXX=mpic++\n\n\nexport CC=$SERIAL_CC\nexport CXX=$SERIAL_CXX\nexport F77=$SERIAL_F77\nexport FC=$SERIAL_FC\nunset F90 # This seems to be set by default on NCAR's Cheyenne and is problematic\nunset F90FLAGS\n#export CFLAGS=\"-g\"\n#export FFLAGS=\"-g -fbacktrace\"\n#export FCFLAGS=\"-g -fbacktrace\"\n#export F77FLAGS=\"-g -fbacktrace\"\n\n\n########################################\n# MPICH\n########################################\n#tar xzvf ${LIBSRC}/mpich-3.3.1.tar.gz \n#cd mpich-3.3.1\n#./configure --prefix=${LIBBASE}\n#make -j 4\n##make check\n#make install\n##make testing\n#export PATH=${LIBBASE}/bin:$PATH\n#export LD_LIBRARY_PATH=${LIBBASE}/lib:$LD_LIBRARY_PATH\n#cd ..\n#rm -rf mpich-3.3.1\n\n########################################\n# zlib\n########################################\nwget https://www2.mmm.ucar.edu/people/duda/files/mpas/sources/zlib-1.2.11.tar.gz\ntar xzvf ${LIBSRC}/zlib-1.2.11.tar.gz\ncd zlib-1.2.11\n./configure --prefix=${LIBBASE} --static\nmake -j 4\nmake install\ncd ..\nrm -rf zlib-1.2.11\n\n# ----------------------\n# Build and install curl\n# ---------------------\n\nwget https://curl.se/download/curl-8.10.1.tar.gz\ntar -xzvf curl-8.10.1.tar.gz\ncd curl-8.10.1\n./configure --prefix=${LIBBASE} --without-ssl --without-libpsl\nmake |& tee make.curl.log\nmake install |& tee make.install.curl.log\n\n\n########################################\n# HDF5\n########################################\nwget https://support.hdfgroup.org/ftp/HDF5/releases/hdf5-1.10/hdf5-1.10.5/src/hdf5-1.10.5.tar.bz2\ntar xjvf ${LIBSRC}/hdf5-1.10.5.tar.bz2\ncd hdf5-1.10.5\nexport FC=$MPI_FC\nexport CC=$MPI_CC\nexport CXX=$MPI_CXX\n./configure --prefix=${LIBBASE} --enable-parallel --with-zlib=${LIBBASE} --disable-shared\nmake -j 4\n#make check\nmake install\ncd ..\nrm -rf hdf5-1.10.5\n\n########################################\n# Parallel-netCDF\n########################################\nwget https://parallel-netcdf.github.io/Release/pnetcdf-1.11.2.tar.gz\ntar xzvf ${LIBSRC}/pnetcdf-1.11.2.tar.gz\ncd pnetcdf-1.11.2\nexport CC=$SERIAL_CC\nexport CXX=$SERIAL_CXX\nexport F77=$SERIAL_F77\nexport FC=$SERIAL_FC\nexport MPICC=$MPI_CC\nexport MPICXX=$MPI_CXX\nexport MPIF77=$MPI_F77\nexport MPIF90=$MPI_FC\n### Will also need gcc in path\n./configure --prefix=${LIBBASE}\nmake -j 4\n#make check\n#make ptest\n#make testing\nmake install\nexport PNETCDF=${LIBBASE}\ncd ..\nrm -rf pnetcdf-1.11.2\n\n########################################\n# netCDF (C library)\n########################################\nwget https://github.com/Unidata/netcdf-c/archive/refs/tags/v4.7.0.tar.gz\ntar xzvf ${LIBSRC}/v4.7.0.tar.gz\ncd netcdf-c-4.7.0\nexport CPPFLAGS=\"-I${LIBBASE}/include\"\nexport LDFLAGS=\"-L${LIBBASE}/lib\"\nexport LIBS=\"-lhdf5_hl -lhdf5 -lz -ldl\"\nexport CC=$MPI_CC\n./configure --prefix=${LIBBASE} --disable-dap --enable-netcdf4 --enable-pnetcdf --enable-cdf5 --enable-parallel-tests --disable-shared\nmake -j 4 \n#make check\nmake install\nexport NETCDF=${LIBBASE}\ncd ..\nrm -rf netcdf-c-4.7.0\n\n########################################\n# netCDF (Fortran interface library)\n########################################\nwget https://www2.mmm.ucar.edu/people/duda/files/mpas/sources/netcdf-fortran-4.4.5.tar.gz\ntar xzvf ${LIBSRC}/netcdf-fortran-4.4.5.tar.gz\ncd netcdf-fortran-4.4.5\nexport FC=$MPI_FC\nexport F77=$MPI_F77\nexport LIBS=\"-lnetcdf ${LIBS}\"\n./configure --prefix=${LIBBASE} --enable-parallel-tests --disable-shared\nmake -j 4\n#make check\nmake install\ncd ..\nrm -rf netcdf-fortran-4.4.5\n\n########################################\n# PIO\n########################################\ngit clone ssh://github.com/NCAR/ParallelIO\ncd ParallelIO\ngit checkout -b pio-2.4.4 pio2_4_4\nexport PIOSRC=`pwd`\ncd ..\nmkdir pio\ncd pio\nexport CC=$MPI_CC\nexport FC=$MPI_FC\ncmake -DNetCDF_C_PATH=$NETCDF -DNetCDF_Fortran_PATH=$NETCDF -DPnetCDF_PATH=$PNETCDF -DHDF5_PATH=$NETCDF -DCMAKE_INSTALL_PREFIX=$LIBBASE -DPIO_USE_MALLOC=ON -DCMAKE_VERBOSE_MAKEFILE=1 -DPIO_ENABLE_TIMING=OFF $PIOSRC\nmake\n#make check\nmake install\ncd ..\n#rm -rf pio ParallelIO\nexport PIO=$LIBBASE\n\n########################################\n# Other environment vars needed by MPAS\n########################################\nexport MPAS_EXTERNAL_LIBS=\"-L${LIBBASE}/lib -lhdf5_hl -lhdf5 -ldl -lz\"\nexport MPAS_EXTERNAL_INCLUDES=\"-I${LIBBASE}/include\"\n" }, { "path": "DOCS/Users_Guide/Tutorials/scripts/mpas-cmaq_libraries/iolib_installation_intel_20.2.sh", "content": "#!/usr/bin/env bash\n# Script works for module load intel/18.2 and openmpi_3.1.4/intel_18.2 modules and openmpi/4.1.4-intel_20.2 modules\n\n#\n# Sources for all libraries used in this script can be found at\n# http://www2.mmm.ucar.edu/people/duda/files/mpas/sources/ \n#\n\n# Where to find sources for libraries\nexport LIBSRC=$PWD\n\n# Where to install libraries\nexport LIBBASE=$PWD\n\n# Compilers\nexport SERIAL_FC=ifort\nexport SERIAL_F77=ifort\nexport SERIAL_CC=icc\nexport SERIAL_CXX=icpc\nexport MPI_FC=mpif90\nexport MPI_F77=mpif77\nexport MPI_CC=mpicc\nexport MPI_CXX=mpic++\n\n\nexport CC=$SERIAL_CC\nexport CXX=$SERIAL_CXX\nexport F77=$SERIAL_F77\nexport FC=$SERIAL_FC\nunset F90 # This seems to be set by default on NCAR's Cheyenne and is problematic\nunset F90FLAGS\n#export CFLAGS=\"-g\"\n#export FFLAGS=\"-g -fbacktrace\"\n#export FCFLAGS=\"-g -fbacktrace\"\n#export F77FLAGS=\"-g -fbacktrace\"\n\n\n########################################\n# MPICH\n########################################\n#tar xzvf ${LIBSRC}/mpich-3.3.1.tar.gz \n#cd mpich-3.3.1\n#./configure --prefix=${LIBBASE}\n#make -j 4\n##make check\n#make install\n##make testing\n#export PATH=${LIBBASE}/bin:$PATH\n#export LD_LIBRARY_PATH=${LIBBASE}/lib:$LD_LIBRARY_PATH\n#cd ..\n#rm -rf mpich-3.3.1\n\n########################################\n# zlib\n########################################\nwget https://www2.mmm.ucar.edu/people/duda/files/mpas/sources/zlib-1.2.11.tar.gz\ntar xzvf ${LIBSRC}/zlib-1.2.11.tar.gz\ncd zlib-1.2.11\n./configure --prefix=${LIBBASE} --static\nmake -j 4\nmake install\ncd ..\n#rm -rf zlib-1.2.11\n#\n# ----------------------\n# Build and install curl\n# ---------------------\n\nwget https://curl.se/download/curl-8.10.1.tar.gz\ntar -xzvf curl-8.10.1.tar.gz\ncd curl-8.10.1\n./configure --prefix=${LIBBASE} --without-ssl --without-libpsl\nmake |& tee make.curl.log\nmake install |& tee make.install.curl.log\ncd ..\n\n#\n########################################\n# HDF5\n########################################\nwget https://support.hdfgroup.org/ftp/HDF5/releases/hdf5-1.10/hdf5-1.10.5/src/hdf5-1.10.5.tar.bz2\ntar xjvf ${LIBSRC}/hdf5-1.10.5.tar.bz2\ncd hdf5-1.10.5\nexport FC=$MPI_FC\nexport CC=$MPI_CC\nexport CXX=$MPI_CXX\n./configure --prefix=${LIBBASE} --enable-parallel --with-zlib=${LIBBASE} --disable-shared\nmake -j 4\n#make check\nmake install\ncd ..\n##rm -rf hdf5-1.10.5\n\n########################################\n# Parallel-netCDF\n########################################\nwget https://parallel-netcdf.github.io/Release/pnetcdf-1.14.0.tar.gz\ntar xzvf ${LIBSRC}/pnetcdf-1.14.0.tar.gz\ncd pnetcdf-1.14.0\nexport CC=$SERIAL_CC\nexport CXX=$SERIAL_CXX\nexport F77=$SERIAL_F77\nexport FC=$SERIAL_FC\nexport MPICC=$MPI_CC\nexport MPICXX=$MPI_CXX\nexport MPIF77=$MPI_F77\nexport MPIF90=$MPI_FC\n### Will also need gcc in path\n./configure --prefix=${LIBBASE}\nmake -j 4\n#make check\n#make ptest\n#make testing\nmake install\nexport PNETCDF=${LIBBASE}\ncd ..\n#rm -rf pnetcdf-1.11.2\n\n########################################\n# netCDF (C library)\n########################################\nwget https://github.com/Unidata/netcdf-c/archive/refs/tags/v4.7.0.tar.gz\ntar xzvf ${LIBSRC}/v4.7.0.tar.gz\ncd netcdf-c-4.7.0\nexport CPPFLAGS=\"-I${LIBBASE}/include\"\nexport LDFLAGS=\"-L${LIBBASE}/lib\"\nexport LIBS=\"-lhdf5_hl -lhdf5 -lz -ldl\"\nexport CC=$MPI_CC\n./configure --prefix=${LIBBASE} --disable-dap --enable-netcdf4 --enable-pnetcdf --enable-cdf5 --enable-parallel-tests --disable-shared\nmake -j 4 \n#make check\nmake install\nexport NETCDF=${LIBBASE}\ncd ..\n#rm -rf netcdf-c-4.7.0\n\n########################################\n# netCDF (Fortran interface library)\n########################################\nwget https://www2.mmm.ucar.edu/people/duda/files/mpas/sources/netcdf-fortran-4.4.5.tar.gz\ntar xzvf ${LIBSRC}/netcdf-fortran-4.4.5.tar.gz\ncd netcdf-fortran-4.4.5\nexport FC=$MPI_FC\nexport F77=$MPI_F77\nexport LIBS=\"-lnetcdf ${LIBS}\"\n./configure --prefix=${LIBBASE} --enable-parallel-tests --disable-shared\nmake -j 4\n#make check\nmake install\ncd ..\n#rm -rf netcdf-fortran-4.4.5\n\n########################################\n# PIO\n########################################\ngit clone ssh://github.com/NCAR/ParallelIO\ncd ParallelIO\ngit checkout -b pio-2.4.4 pio2_4_4\nexport PIOSRC=`pwd`\ncd ..\nmkdir pio\ncd pio\nexport CC=$MPI_CC\nexport FC=$MPI_FC\ncmake -DNetCDF_C_PATH=$NETCDF -DNetCDF_Fortran_PATH=$NETCDF -DPnetCDF_PATH=$PNETCDF -DHDF5_PATH=$NETCDF -DCMAKE_INSTALL_PREFIX=$LIBBASE -DPIO_USE_MALLOC=ON -DCMAKE_VERBOSE_MAKEFILE=1 -DPIO_ENABLE_TIMING=OFF $PIOSRC\nmake\n#make check\nmake install\ncd ..\n#rm -rf pio ParallelIO\nexport PIO=$LIBBASE\n\n########################################\n# Other environment vars needed by MPAS\n########################################\nexport MPAS_EXTERNAL_LIBS=\"-L${LIBBASE}/lib -lhdf5_hl -lhdf5 -ldl -lz\"\nexport MPAS_EXTERNAL_INCLUDES=\"-I${LIBBASE}/include\"\n" }, { "path": "DOCS/Users_Guide/Tutorials/scripts/mpas-cmaq_libraries/iolib_installation_intel_2024.2.1.sh", "content": "#!/usr/bin/env bash\n# Script works for module load intel/2024.2.1\n\n#\n# Sources for all libraries used in this script can be found at\n# http://www2.mmm.ucar.edu/people/duda/files/mpas/sources/ \n#\n\n# Where to find sources for libraries\nexport LIBSRC=$PWD\n\n# Where to install libraries\nexport LIBBASE=$PWD\n\n# Compilers\nexport SERIAL_FC=ifx\nexport SERIAL_F77=ifx\nexport SERIAL_CC=icx\nexport SERIAL_CXX=icpx\nexport MPI_FC=mpif90\nexport MPI_F77=mpif77\nexport MPI_CC=mpicc\nexport MPI_CXX=mpic++\n\n\nexport CC=$SERIAL_CC\nexport CXX=$SERIAL_CXX\nexport F77=$SERIAL_F77\nexport FC=$SERIAL_FC\nunset F90 # This seems to be set by default on NCAR's Cheyenne and is problematic\nunset F90FLAGS\n#export CFLAGS=\"-g\"\n#export FFLAGS=\"-g -fbacktrace\"\n#export FCFLAGS=\"-g -fbacktrace\"\n#export F77FLAGS=\"-g -fbacktrace\"\n\n\n########################################\n# MPICH\n########################################\n#tar xzvf ${LIBSRC}/mpich-3.3.1.tar.gz \n#cd mpich-3.3.1\n#./configure --prefix=${LIBBASE}\n#make -j 4\n##make check\n#make install\n##make testing\n#export PATH=${LIBBASE}/bin:$PATH\n#export LD_LIBRARY_PATH=${LIBBASE}/lib:$LD_LIBRARY_PATH\n#cd ..\n#rm -rf mpich-3.3.1\n\n########################################\n# zlib\n########################################\nwget https://www2.mmm.ucar.edu/people/duda/files/mpas/sources/zlib-1.2.11.tar.gz\ntar xzvf ${LIBSRC}/zlib-1.2.11.tar.gz\ncd zlib-1.2.11\n./configure --prefix=${LIBBASE} --static\nmake -j 4\nmake install\ncd ..\nrm -rf zlib-1.2.11\n\n# ----------------------\n# Build and install curl\n# ---------------------\n\nwget https://curl.se/download/curl-8.10.1.tar.gz\ntar -xzvf curl-8.10.1.tar.gz\ncd curl-8.10.1\n./configure --prefix=${LIBBASE} --without-ssl --without-libpsl\nmake |& tee make.curl.log\nmake install |& tee make.install.curl.log\n\n\n########################################\n# HDF5\n########################################\nwget https://support.hdfgroup.org/ftp/HDF5/releases/hdf5-1.10/hdf5-1.10.5/src/hdf5-1.10.5.tar.bz2\ntar xjvf ${LIBSRC}/hdf5-1.10.5.tar.bz2\ncd hdf5-1.10.5\nexport FC=$MPI_FC\nexport CC=$MPI_CC\nexport CXX=$MPI_CXX\n./configure --prefix=${LIBBASE} --enable-parallel --with-zlib=${LIBBASE} --disable-shared\nmake -j 4\n#make check\nmake install\ncd ..\nrm -rf hdf5-1.10.5\n\n########################################\n# Parallel-netCDF\n########################################\nwget https://parallel-netcdf.github.io/Release/pnetcdf-1.11.2.tar.gz\ntar xzvf ${LIBSRC}/pnetcdf-1.11.2.tar.gz\ncd pnetcdf-1.11.2\nexport CC=$SERIAL_CC\nexport CXX=$SERIAL_CXX\nexport F77=$SERIAL_F77\nexport FC=$SERIAL_FC\nexport MPICC=$MPI_CC\nexport MPICXX=$MPI_CXX\nexport MPIF77=$MPI_F77\nexport MPIF90=$MPI_FC\n### Will also need gcc in path\n./configure --prefix=${LIBBASE}\nmake -j 4\n#make check\n#make ptest\n#make testing\nmake install\nexport PNETCDF=${LIBBASE}\ncd ..\nrm -rf pnetcdf-1.11.2\n\n########################################\n# netCDF (C library)\n########################################\nwget https://github.com/Unidata/netcdf-c/archive/refs/tags/v4.7.0.tar.gz\ntar xzvf ${LIBSRC}/v4.7.0.tar.gz\ncd netcdf-c-4.7.0\nexport CPPFLAGS=\"-I${LIBBASE}/include\"\nexport LDFLAGS=\"-L${LIBBASE}/lib\"\nexport LIBS=\"-lhdf5_hl -lhdf5 -lz -ldl\"\nexport CC=$MPI_CC\n./configure --prefix=${LIBBASE} --disable-dap --enable-netcdf4 --enable-pnetcdf --enable-cdf5 --enable-parallel-tests --disable-shared\nmake -j 4 \n#make check\nmake install\nexport NETCDF=${LIBBASE}\ncd ..\nrm -rf netcdf-c-4.7.0\n\n########################################\n# netCDF (Fortran interface library)\n########################################\nwget https://www2.mmm.ucar.edu/people/duda/files/mpas/sources/netcdf-fortran-4.4.5.tar.gz\ntar xzvf ${LIBSRC}/netcdf-fortran-4.4.5.tar.gz\ncd netcdf-fortran-4.4.5\nexport FC=$MPI_FC\nexport F77=$MPI_F77\nexport LIBS=\"-lnetcdf ${LIBS}\"\n./configure --prefix=${LIBBASE} --enable-parallel-tests --disable-shared\nmake -j 4\n#make check\nmake install\ncd ..\nrm -rf netcdf-fortran-4.4.5\n\n########################################\n# PIO\n########################################\ngit clone ssh://github.com/NCAR/ParallelIO\ncd ParallelIO\ngit checkout -b pio-2.4.4 pio2_4_4\nexport PIOSRC=`pwd`\ncd ..\nmkdir pio\ncd pio\nexport CC=$MPI_CC\nexport FC=$MPI_FC\ncmake -DNetCDF_C_PATH=$NETCDF -DNetCDF_Fortran_PATH=$NETCDF -DPnetCDF_PATH=$PNETCDF -DHDF5_PATH=$NETCDF -DCMAKE_INSTALL_PREFIX=$LIBBASE -DPIO_USE_MALLOC=ON -DCMAKE_VERBOSE_MAKEFILE=1 -DPIO_ENABLE_TIMING=OFF $PIOSRC\nmake\n#make check\nmake install\ncd ..\n#rm -rf pio ParallelIO\nexport PIO=$LIBBASE\n\n########################################\n# Other environment vars needed by MPAS\n########################################\nexport MPAS_EXTERNAL_LIBS=\"-L${LIBBASE}/lib -lhdf5_hl -lhdf5 -ldl -lz\"\nexport MPAS_EXTERNAL_INCLUDES=\"-I${LIBBASE}/include\"\n" }, { "path": "DOCS/Users_Guide/filter/comments.py", "content": "#!/usr/bin/env python\nfrom pandocfilters import toJSONFilter\nimport re\n\n\"\"\"\nPandoc filter that causes everything between\n'' and ''\nto be ignored. The comment lines must appear on\nlines by themselves, with blank lines surrounding\nthem.\n\"\"\"\n\nincomment = False\n\n\ndef comment(k, v, fmt, meta):\n global incomment\n if k == 'RawBlock':\n fmt, s = v\n if fmt == \"html\":\n if re.search(\"\", s):\n incomment = True\n return []\n elif re.search(\"\", s):\n incomment = False \n return []\n if incomment:\n return [] # suppress anything in a comment\n\nif __name__ == \"__main__\":\n toJSONFilter(comment)\n" }, { "path": "DOCS/Users_Guide/readme.pandoc", "content": "Command to build PDF using pandoc on Liz's mac\n\npandoc -s -N --template=./templates/mytemplate.tex --filter ./filter/comments.py --variable mainfont=\"Times New Roman\" --variable sansfont=\"Helvetica\" --variable monofont=\"Menlo\" --variable fontsize=12pt --variable version=5.4 -fmarkdown-implicit_figures --variable title=\"CMAQv5.4 User Manual\" --variable subtitle=\"10/10/2022\" --toc --variable geometry:margin=1in --pdf-engine=xelatex -s -o ./PDF/CMAQ_UG_10_2022.pdf CMAQ_UG_ch01_overview.md CMAQ_UG_ch02_program_structure.md CMAQ_UG_ch03_preparing_compute_environment.md CMAQ_UG_ch04_model_inputs.md CMAQ_UG_ch05_running_a_simulation.md CMAQ_UG_ch06_model_configuration_options.md CMAQ_UG_ch07_model_outputs.md CMAQ_UG_ch08_analysis_tools.md CMAQ_UG_ch09_process_analysis.md CMAQ_UG_ch10_HDDM-3D.md CMAQ_UG_ch11_ISAM.md CMAQ_UG_ch12_sulfur_tracking.md CMAQ_UG_ch13_WRF-CMAQ.md ./Appendix/CMAQ_UG_appendixA_model_options.md ./Appendix/CMAQ_UG_appendixB_emissions_control.md ./Appendix/CMAQ_UG_appendixC_spatial_data.md ./Appendix/CMAQ_UG_appendixD_parallel_implementation.md ./Appendix/CMAQ_UG_appendixE_configuring_WRF.md\n" }, { "path": "DOCS/Users_Guide/templates/mytemplate.tex", "content": "\\documentclass[$if(fontsize)$$fontsize$,$endif$$if(lang)$$lang$,$endif$$if(papersize)$$papersize$,$endif$$for(classoption)$$classoption$$sep$,$endfor$]{$documentclass$}\n\\setcounter{section}{1}\n$if(fontfamily)$\n\\usepackage{$fontfamily$}\n$else$\n\\usepackage{lmodern}\n$endif$\n$if(linestretch)$\n\\usepackage{setspace}\n\\setstretch{$linestretch$}\n$endif$\n\\usepackage{amssymb,amsmath}\n\\usepackage{ifxetex,ifluatex}\n\\usepackage{fixltx2e} % provides \\textsubscript\n\\ifnum 0\\ifxetex 1\\fi\\ifluatex 1\\fi=0 % if pdftex\n \\usepackage[T1]{fontenc}\n \\usepackage[utf8]{inputenc}\n$if(euro)$\n \\usepackage{eurosym}\n$endif$\n\\else % if luatex or xelatex\n \\ifxetex\n \\usepackage{mathspec}\n \\usepackage{xltxtra,xunicode}\n \\else\n \\usepackage{fontspec}\n \\fi\n \\defaultfontfeatures{Mapping=tex-text,Scale=MatchLowercase}\n \\newcommand{\\euro}{€}\n$if(mainfont)$\n \\setmainfont{$mainfont$}\n$endif$\n$if(sansfont)$\n \\setsansfont{$sansfont$}\n$endif$\n$if(monofont)$\n \\setmonofont[Mapping=tex-ansi]{$monofont$}\n$endif$\n$if(mathfont)$\n \\setmathfont(Digits,Latin,Greek){$mathfont$}\n$endif$\n\\fi\n% use upquote if available, for straight quotes in verbatim environments\n\\IfFileExists{upquote.sty}{\\usepackage{upquote}}{}\n% use microtype if available\n\\IfFileExists{microtype.sty}{%\n\\usepackage{microtype}\n\\UseMicrotypeSet[protrusion]{basicmath} % disable protrusion for tt fonts\n}{}\n$if(geometry)$\n\\usepackage[$for(geometry)$$geometry$$sep$,$endfor$]{geometry}\n$endif$\n\\ifxetex\n \\usepackage[setpagesize=false, % page size defined by xetex\n unicode=false, % unicode breaks when used with xetex\n xetex]{hyperref}\n\\else\n \\usepackage[unicode=true]{hyperref}\n\\fi\n\\hypersetup{breaklinks=true,\n bookmarks=true,\n pdfauthor={$author-meta$},\n pdftitle={$title-meta$},\n colorlinks=true,\n citecolor=$if(citecolor)$$citecolor$$else$blue$endif$,\n urlcolor=$if(urlcolor)$$urlcolor$$else$blue$endif$,\n linkcolor=$if(linkcolor)$$linkcolor$$else$magenta$endif$,\n pdfborder={0 0 0}}\n\\urlstyle{same} % don't use monospace font for urls\n\\usepackage{fancyhdr}\n\\pagestyle{fancy}\n\\pagenumbering{arabic}\n\\lhead{\\itshape $title$}\n\\chead{}\n\\rhead{\\itshape{\\nouppercase{\\leftmark}}}\n\\lfoot{v $version$}\n\\cfoot{}\n\\rfoot{\\thepage}\n$if(lang)$\n\\ifxetex\n \\usepackage{polyglossia}\n \\setmainlanguage{$mainlang$}\n \\setotherlanguages{$for(otherlang)$$otherlang$$sep$,$endfor$}\n\\else\n \\usepackage[shorthands=off,$lang$]{babel}\n\\fi\n$endif$\n$if(natbib)$\n\\usepackage{natbib}\n\\bibliographystyle{$if(biblio-style)$$biblio-style$$else$plainnat$endif$}\n$endif$\n$if(biblatex)$\n\\usepackage{biblatex}\n$for(bibliography)$\n\\addbibresource{$bibliography$}\n$endfor$\n$endif$\n$if(listings)$\n\\usepackage{listings}\n$endif$\n$if(lhs)$\n\\lstnewenvironment{code}{\\lstset{language=Haskell,basicstyle=\\small\\ttfamily}}{}\n$endif$\n$if(highlighting-macros)$\n$highlighting-macros$\n$endif$\n$if(verbatim-in-note)$\n\\usepackage{fancyvrb}\n\\VerbatimFootnotes\n$endif$\n$if(tables)$\n\\usepackage{longtable,booktabs}\n$endif$\n$if(graphics)$\n\\usepackage{graphicx,grffile}\n\\makeatletter\n\\def\\maxwidth{\\ifdim\\Gin@nat@width>\\linewidth\\linewidth\\else\\Gin@nat@width\\fi}\n\\def\\maxheight{\\ifdim\\Gin@nat@height>\\textheight\\textheight\\else\\Gin@nat@height\\fi}\n\\makeatother\n% Scale images if necessary, so that they will not overflow the page\n% margins by default, and it is still possible to overwrite the defaults\n% using explicit options in \\includegraphics[width, height, ...]{}\n\\setkeys{Gin}{width=\\maxwidth,height=\\maxheight,keepaspectratio}\n$endif$\n$if(links-as-notes)$\n% Make links footnotes instead of hotlinks:\n\\renewcommand{\\href}[2]{#2\\footnote{\\url{#1}}}\n$endif$\n$if(strikeout)$\n\\usepackage[normalem]{ulem}\n% avoid problems with \\sout in headers with hyperref:\n\\pdfstringdefDisableCommands{\\renewcommand{\\sout}{}}\n$endif$\n\\setlength{\\parindent}{0pt}\n\\setlength{\\parskip}{6pt plus 2pt minus 1pt}\n\\setlength{\\emergencystretch}{3em} % prevent overfull lines\n\\providecommand{\\tightlist}{%\n \\setlength{\\itemsep}{0pt}\\setlength{\\parskip}{0pt}}\n$if(numbersections)$\n\\setcounter{secnumdepth}{5}\n$else$\n\\setcounter{secnumdepth}{0}\n$endif$\n$if(verbatim-in-note)$\n\\VerbatimFootnotes % allows verbatim text in footnotes\n$endif$\n\n$if(title)$\n\\title{$title$$if(subtitle)$\\\\\\vspace{0.5em}{\\large $subtitle$}$endif$}\n$endif$\n$if(author)$\n\\author{$for(author)$$author$$sep$ \\and $endfor$}\n$endif$\n\\date{$date$}\n$for(header-includes)$\n$header-includes$\n$endfor$\n\n% Redefines (sub)paragraphs to behave more like sections\n\\ifx\\paragraph\\undefined\\else\n\\let\\oldparagraph\\paragraph\n\\renewcommand{\\paragraph}[1]{\\oldparagraph{#1}\\mbox{}}\n\\fi\n\\ifx\\subparagraph\\undefined\\else\n\\let\\oldsubparagraph\\subparagraph\n\\renewcommand{\\subparagraph}[1]{\\oldsubparagraph{#1}\\mbox{}}\n\\fi\n\n\\begin{document}\n$if(title)$\n\\maketitle\n$endif$\n$if(abstract)$\n\\begin{abstract}\n$abstract$\n\\end{abstract}\n$endif$\n\n$for(include-before)$\n$include-before$\n\n$endfor$\n$if(toc)$\n{\n\\hypersetup{linkcolor=$if(toccolor)$$toccolor$$else$black$endif$}\n\\setcounter{secnumdepth}{0}\n\\tableofcontents\n\\newpage\n}\n$endif$\n$if(lot)$\n\\listoftables\n$endif$\n$if(lof)$\n\\listoffigures\n$endif$\n$body$\n\n$if(natbib)$\n$if(bibliography)$\n$if(biblio-title)$\n$if(book-class)$\n\\renewcommand\\bibname{$biblio-title$}\n$else$\n\\renewcommand\\refname{$biblio-title$}\n$endif$\n$endif$\n\\bibliography{$for(bibliography)$$bibliography$$sep$,$endfor$}\n\n$endif$\n$endif$\n$if(biblatex)$\n\\printbibliography$if(biblio-title)$[title=$biblio-title$]$endif$\n\n$endif$\n$for(include-after)$\n$include-after$\n\n$endfor$\n\\end{document}\n" }, { "path": "DOCS/Users_Guide/templates/mytemplate.tex.sv", "content": "\\documentclass[$if(fontsize)$$fontsize$,$endif$$if(lang)$$lang$,$endif$$if(papersize)$$papersize$,$endif$$for(classoption)$$classoption$$sep$,$endfor$]{$documentclass$}\n\\setcounter{section}{1}\n$if(fontfamily)$\n\\usepackage{$fontfamily$}\n$else$\n\\usepackage{lmodern}\n$endif$\n$if(linestretch)$\n\\usepackage{setspace}\n\\setstretch{$linestretch$}\n$endif$\n\\usepackage{amssymb,amsmath}\n\\usepackage{ifxetex,ifluatex}\n\\usepackage{fixltx2e} % provides \\textsubscript\n\\ifnum 0\\ifxetex 1\\fi\\ifluatex 1\\fi=0 % if pdftex\n \\usepackage[T1]{fontenc}\n \\usepackage[utf8]{inputenc}\n$if(euro)$\n \\usepackage{eurosym}\n$endif$\n\\else % if luatex or xelatex\n \\ifxetex\n \\usepackage{mathspec}\n \\usepackage{xltxtra,xunicode}\n \\else\n \\usepackage{fontspec}\n \\fi\n \\defaultfontfeatures{Mapping=tex-text,Scale=MatchLowercase}\n \\newcommand{\\euro}{€}\n$if(mainfont)$\n \\setmainfont{$mainfont$}\n$endif$\n$if(sansfont)$\n \\setsansfont{$sansfont$}\n$endif$\n$if(monofont)$\n \\setmonofont[Mapping=tex-ansi]{$monofont$}\n$endif$\n$if(mathfont)$\n \\setmathfont(Digits,Latin,Greek){$mathfont$}\n$endif$\n\\fi\n% use upquote if available, for straight quotes in verbatim environments\n\\IfFileExists{upquote.sty}{\\usepackage{upquote}}{}\n% use microtype if available\n\\IfFileExists{microtype.sty}{%\n\\usepackage{microtype}\n\\UseMicrotypeSet[protrusion]{basicmath} % disable protrusion for tt fonts\n}{}\n$if(geometry)$\n\\usepackage[$for(geometry)$$geometry$$sep$,$endfor$]{geometry}\n$endif$\n\\ifxetex\n \\usepackage[setpagesize=false, % page size defined by xetex\n unicode=false, % unicode breaks when used with xetex\n xetex]{hyperref}\n\\else\n \\usepackage[unicode=true]{hyperref}\n\\fi\n\\hypersetup{breaklinks=true,\n bookmarks=true,\n pdfauthor={$author-meta$},\n pdftitle={$title-meta$},\n colorlinks=true,\n citecolor=$if(citecolor)$$citecolor$$else$blue$endif$,\n urlcolor=$if(urlcolor)$$urlcolor$$else$blue$endif$,\n linkcolor=$if(linkcolor)$$linkcolor$$else$magenta$endif$,\n pdfborder={0 0 0}}\n\\urlstyle{same} % don't use monospace font for urls\n\\usepackage{fancyhdr}\n\\pagestyle{fancy}\n\\pagenumbering{arabic}\n\\lhead{\\itshape $title$}\n\\chead{}\n\\rhead{\\itshape{\\nouppercase{\\leftmark}}}\n\\lfoot{v $version$}\n\\cfoot{}\n\\rfoot{\\thepage}\n$if(lang)$\n\\ifxetex\n \\usepackage{polyglossia}\n \\setmainlanguage{$mainlang$}\n \\setotherlanguages{$for(otherlang)$$otherlang$$sep$,$endfor$}\n\\else\n \\usepackage[shorthands=off,$lang$]{babel}\n\\fi\n$endif$\n$if(natbib)$\n\\usepackage{natbib}\n\\bibliographystyle{$if(biblio-style)$$biblio-style$$else$plainnat$endif$}\n$endif$\n$if(biblatex)$\n\\usepackage{biblatex}\n$for(bibliography)$\n\\addbibresource{$bibliography$}\n$endfor$\n$endif$\n$if(listings)$\n\\usepackage{listings}\n$endif$\n$if(lhs)$\n\\lstnewenvironment{code}{\\lstset{language=Haskell,basicstyle=\\small\\ttfamily}}{}\n$endif$\n$if(highlighting-macros)$\n$highlighting-macros$\n$endif$\n$if(verbatim-in-note)$\n\\usepackage{fancyvrb}\n\\VerbatimFootnotes\n$endif$\n$if(tables)$\n\\usepackage{longtable,booktabs}\n$endif$\n$if(graphics)$\n\\usepackage{graphicx,grffile}\n\\makeatletter\n\\def\\maxwidth{\\ifdim\\Gin@nat@width>\\linewidth\\linewidth\\else\\Gin@nat@width\\fi}\n\\def\\maxheight{\\ifdim\\Gin@nat@height>\\textheight\\textheight\\else\\Gin@nat@height\\fi}\n\\makeatother\n% Scale images if necessary, so that they will not overflow the page\n% margins by default, and it is still possible to overwrite the defaults\n% using explicit options in \\includegraphics[width, height, ...]{}\n\\setkeys{Gin}{width=\\maxwidth,height=\\maxheight,keepaspectratio}\n$endif$\n$if(links-as-notes)$\n% Make links footnotes instead of hotlinks:\n\\renewcommand{\\href}[2]{#2\\footnote{\\url{#1}}}\n$endif$\n$if(strikeout)$\n\\usepackage[normalem]{ulem}\n% avoid problems with \\sout in headers with hyperref:\n\\pdfstringdefDisableCommands{\\renewcommand{\\sout}{}}\n$endif$\n\\setlength{\\parindent}{0pt}\n\\setlength{\\parskip}{6pt plus 2pt minus 1pt}\n\\setlength{\\emergencystretch}{3em} % prevent overfull lines\n\\providecommand{\\tightlist}{%\n \\setlength{\\itemsep}{0pt}\\setlength{\\parskip}{0pt}}\n$if(numbersections)$\n\\setcounter{secnumdepth}{5}\n$else$\n\\setcounter{secnumdepth}{0}\n$endif$\n$if(verbatim-in-note)$\n\\VerbatimFootnotes % allows verbatim text in footnotes\n$endif$\n\n$if(title)$\n\\title{$title$$if(subtitle)$\\\\\\vspace{0.5em}{\\large $subtitle$}$endif$}\n$endif$\n$if(author)$\n\\author{$for(author)$$author$$sep$ \\and $endfor$}\n$endif$\n\\date{$date$}\n$for(header-includes)$\n$header-includes$\n$endfor$\n\n% Redefines (sub)paragraphs to behave more like sections\n\\ifx\\paragraph\\undefined\\else\n\\let\\oldparagraph\\paragraph\n\\renewcommand{\\paragraph}[1]{\\oldparagraph{#1}\\mbox{}}\n\\fi\n\\ifx\\subparagraph\\undefined\\else\n\\let\\oldsubparagraph\\subparagraph\n\\renewcommand{\\subparagraph}[1]{\\oldsubparagraph{#1}\\mbox{}}\n\\fi\n\n\\begin{document}\n$if(title)$\n\\maketitle\n$endif$\n$if(abstract)$\n\\begin{abstract}\n$abstract$\n\\end{abstract}\n$endif$\n\n$for(include-before)$\n$include-before$\n\n$endfor$\n$if(toc)$\n{\n\\hypersetup{linkcolor=$if(toccolor)$$toccolor$$else$black$endif$}\n\\setcounter{tocdepth}{$toc-depth$}\n\\tableofcontents\n\\newpage\n}\n$endif$\n$if(lot)$\n\\listoftables\n$endif$\n$if(lof)$\n\\listoffigures\n$endif$\n$body$\n\n$if(natbib)$\n$if(bibliography)$\n$if(biblio-title)$\n$if(book-class)$\n\\renewcommand\\bibname{$biblio-title$}\n$else$\n\\renewcommand\\refname{$biblio-title$}\n$endif$\n$endif$\n\\bibliography{$for(bibliography)$$bibliography$$sep$,$endfor$}\n\n$endif$\n$endif$\n$if(biblatex)$\n\\printbibliography$if(biblio-title)$[title=$biblio-title$]$endif$\n\n$endif$\n$for(include-after)$\n$include-after$\n\n$endfor$\n\\end{document}\n" }, { "path": "DOCS/Users_Guide/templates/template.markdown", "content": "$if(titleblock)$\n$titleblock$\n\n$endif$\n$for(header-includes)$\n$header-includes$\n\n$endfor$\n$for(include-before)$\n$include-before$\n\n$endfor$\n$if(toc)$\n$if(toc-title)$\n#$toc-title$\n$endif$\n$toc$\n\n$endif$\n$body$\n$for(include-after)$\n\n$include-after$\n$endfor$\n" }, { "path": "POST/README.md", "content": "Post-processing Tools\n========\n\n## Overview\nThe following utility programs are provided to process and prepare data for model evaluation. Documentation for each utility is provided in the README files within each subdirectory.\n\n\n## Utility Programs\n* **[calc_tmetric](calc_tmetric/README.md)**: user can create gridded IOAPI files with temporally averaged or summed values that were calculated from one or more gridded time-dependent IOAPI files.\n* **[combine](combine/README.md)**: user can combine species from raw CMAQ output files or wrfout input files into a new IOAPI output file. Species can be aggregated or transformed into variables of interest (i.e. to match observed quantities from a specific monitoring network).\n* **[hr2day](hr2day/README.md)**: user can create gridded IOAPI files with daily values (e.g. daily sum, daily max 8hr average, etc.) from gridded IOAPI files containing hourly values. Daily values can be computed using GMT or LST.\n* **[sitecmp](sitecmp/README.md)**: user can generate a csv (comma separated values) file that compares CMAQ generated concentrations with an observed dataset.\n* **[sitecmp_dailyo3](sitecmp_dailyo3/README.md)**: user can generate a csv (comma separated values) file that compares various daily ozone metrics computed from hourly CMAQ generated and observed ozone concentrations.\n* **[writesite](writesite/README.md)**: user can generate a csv file from an IOAPI data file for a set of species at defined site locations.\n\n## Observed data for model evaluation\nThe formatted observation data files needed for running the sitecmp and sitecmp_dailyo3 utilities are available for 2000 through 2020 from the CMAS Center Data Warehouse Google Drive.\n* [Link to Google Drive folder with observation files](https://drive.google.com/drive/folders/1QUlUXnHXvXz9qwePi5APzzHkiH5GWACw?usp=sharing)\n* [Link to README text file with metadata on observation files](https://drive.google.com/file/d/1QVTDxGMXoNNnl8IXhz5pcIO0x45q2IS1/view?usp=drive_link)\n\n## A note on model-observation pairing for model evaluation\nThe task of matching model simulations to observations is performed by the sitecmp and sitecmp_dailyo3 utility programs. Documentation on how these programs handle matching model and observed species in space and time is provided in [Chapter 8 of the CMAQ User's Guide](../DOCS/Users_Guide/CMAQ_UG_ch08_analysis_tools.md).\n\n" }, { "path": "POST/calc_tmetric/README.md", "content": "calc_tmetric\n========\n\nThis Fortran program creates gridded IOAPI files with temporally averaged or summed values that were calculated from one or more gridded time-dependent IOAPI files.\n\n## Run Time Environment variables used:\n\n```\n OPERATION operation to perform - SUM for summation and AVG for averaging (default SUM)\n SPECIES_# list of species to output (e.g. setenv SPECIES_1 O3). \n To extract all species use: setenv SPECIES_1 ALL\n M3_FILE_# List of input IOAPI file names with time-dependent values.\n The program will concatenate time steps from all input files to construct the\n\t longest possible time record which can be processed. Duplicate time steps are\n\t eliminated. The program will then sum or average variable values across these \n\t non-duplicate time steps.\n\t The maximum number of IOAPI files is set to be one less than the global IOAPI parameter MXFILE3.\n\t Since this parameter is currently set to 64 (https://www.cmascenter.org/ioapi/documentation/all_versions/html/TUTORIAL.html),\n\t the maximum number of IOAPI input files is 63.\n OUTFILE output IOAPI file name with gridded summed or averaged values\n```\n\n## Compile calc_tmetric source code:\n\nExecute the build script to compile calc_tmetric:\n\n```\ncd $CMAQ_HOME/POST/calc_tmetric/scripts\n./bldit_calc_tmetric.csh [compiler] [version] |& tee build_calc_tmetric.log\n```\n\n## Run calc_tmetric:\nEdit the sample run script (run.calc_tmetric.csh), then run:\n```\n ./run.calc_tmetric.csh |& tee calc_tmetric.log\n```\nCheck the log file to ensure complete and correct execution without errors.\n\n" }, { "path": "POST/calc_tmetric/scripts/bldit_calc_tmetric.csh", "content": "#! /bin/csh -f\n\n# ==================== CALC_TMETRICv5.5.X Build Script ============== #\n# Usage: bldit_calc_tmetric.csh >&! bldit_calc_tmetric.log #\n# Requirements: I/O API & netCDF libraries; a Fortran compiler #\n# #\n# To report problems or request help with this script/program: #\n# http://www.cmascenter.org #\n# =================================================================== #\n\n# =======================================================================\n#> Preliminary error checking and environment configuration\n# =======================================================================\n\n#> Check that the host system is Linux-based\n set BLD_OS = `uname -s` \n if ($BLD_OS != 'Linux') then\n echo \" $BLD_OS -> wrong bldit script for host!\"\n exit 1\n endif\n\n#> Set Compiler Identity by User Input: Options -> intel | pgi | gcc\n if ( $#argv == 1 ) then\n setenv compiler $argv[1]\n setenv compilerVrsn Empty\n else if ( $#argv == 2 ) then\n #> Compiler Name and Version have been provided\n setenv compiler $1\n setenv compilerVrsn $2\n else\n echo \"usage: $0 \"\n echo \" where is intel, pgi or gcc\"\n exit(2)\n endif\n\n#> Source the config.cmaq file to set the build environment\n cd ../../..\n source ./config_cmaq.csh\n\n#> Source Code Repository\n setenv REPOROOT ${CMAQ_REPO}/POST/calc_tmetric #> location of the source code for CALC_TMETRIC\n\n#===============================================================================\n#> Begin User Input Section \n#===============================================================================\n\n#> User choices: working directory and application ID\n set VRSN = v55 #> model version\n set EXEC = calc_tmetric_${VRSN}.exe #> executable name for this application\n set CFG = calc_tmetric_${VRSN}.cfg #> BLDMAKE configuration file name\n setenv BLDER ${CMAQ_HOME}/UTIL/bldmake/bldmake_${compilerString}.exe #> location of makefile builder executable \n\n#> user choice: copy source files\n set CopySrc #> copy the source files into the BLD directory\n\n #set MakeFileOnly # builds a Makefile to make the model, but does not compile -\n # comment out to also compile the model (default if not set)\n\n# set CompileBLDMAKE #> Recompile the BLDMAKE utility from source\n #> comment out to use an existing BLDMAKE executable\n set ModDriver = src #> CALC_TMETRIC Modules\n\n\n#============================================================================================\n#> Computing System Configuration:\n#> Most of these settings are done in config.cmaq\n#============================================================================================\n\n#> Set full path of Fortran 90 compiler\n setenv FC ${myFC}\n set FP = $FC\n\n#> Set IO/API version\n set IOAPI = ioapi_3.1\n\n#> Set compiler flags\n set FSTD = \"${myFSTD}\"\n set DBG = \"${myDBG}\"\n setenv F_FLAGS \"${myFFLAGS}\"\n set F90_FLAGS = \"${myFRFLAGS}\"\n set CPP_FLAGS = \"\" #> Fortran Preprocessor Flags\n set LINK_FLAGS = \"${myLINK_FLAG}\" #> Link Flags\n\n set LIB2 = \"${ioapi_lib}\"\n\n\n#============================================================================================\n#> Set up the calc_tmetric build directory under the Tools directory\n#> for checking out and compiling source code\n#============================================================================================\n set Bld = ${CMAQ_HOME}/POST/calc_tmetric/scripts/BLD_calc_tmetric_${VRSN}_${compilerString}\n\n if ( ! -e \"$Bld\" ) then\n mkdir -pv $Bld\n else\n if ( ! -d \"$Bld\" ) then\n echo \" *** target exists, but not a directory ***\"\n exit 1\n endif\n endif\n\n cd $Bld\n\n#> Check for previous run\n if ( -e \"$Bld/${CFG}\" ) then\n echo \" >>> previous ${CFG} exists, re-naming to ${CFG}.old <<<\"\n mv $Bld/${CFG} $Bld/${CFG}.old\n endif\n\n#============================================================================================\n#> Make the config file\n#============================================================================================\n set Cfile = ${Bld}/$CFG\n set quote = '\"'\n\n echo > $Cfile\n echo \"model $EXEC;\" >> $Cfile\n echo >> $Cfile\n echo \"repo $REPOROOT;\" >> $Cfile\n echo >> $Cfile\n echo \"lib_base ${CMAQ_LIB};\" >> $Cfile\n echo >> $Cfile\n echo \"lib_1 ioapi/lib;\" >> $Cfile\n echo >> $Cfile\n echo \"lib_2 ioapi/include_files;\" >> $Cfile\n echo >> $Cfile\n echo \"lib_3 netcdf/include;\" >> $Cfile\n echo >> $Cfile\n echo \"lib_4 ioapi/lib;\" >> $Cfile\n echo >> $Cfile\n echo \"lib_5 netcdff/include;\" >> $Cfile\n echo >> $Cfile\n set text = \"$quote$CPP_FLAGS$quote;\"\n echo \"cpp_flags $text\" >> $Cfile\n echo >> $Cfile\n echo \"f_compiler $FC;\" >> $Cfile\n echo >> $Cfile\n echo \"fstd $quote$FSTD$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"dbg $quote$DBG$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"f_flags $quote$F_FLAGS$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"f90_flags $quote$F90_FLAGS$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"link_flags $quote$LINK_FLAGS$quote;\" >> $Cfile\n echo >> $Cfile\n#echo \"libraries $quote$LIBS$quote;\" >> $Cfile\n echo \"ioapi $quote$LIB2$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"netcdf $quote$netcdf_lib$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"netcdff $quote$netcdff_lib$quote;\" >> $Cfile\n \n set text = \"calc_tmetric\"\n echo \"// options are\" $text >> $Cfile\n echo \"Module ${ModDriver};\" >> $Cfile\n echo >> $Cfile\n\n#============================================================================================\n#> Use BLDMAKE to create the Makefile and model executable if desired\n#============================================================================================\n\n unalias mv rm\n\n#> Recompile BLDMAKE from source if requested or if it does not exist\n if ( $?CompileBLDMAKE || ! -f $BLDER ) then\n cd ${CMAQ_REPO}/UTIL/bldmake/scripts\n ./bldit_bldmake.csh\n endif\n \n#> Relocate to the BLD_* directory\n cd $Bld \n\n#> Set serial options for BLDMAKE execution\n set Blder = \"$BLDER -serial -verbose\"\n\n#> Run BLDMAKE Utility\n if ( $?MakeFileOnly ) then\n #> Just create the Makefile\n if ( $?CopySrc ) then\n $Blder -makefo $Cfile\n else\n $Blder -makefo -git_local $Cfile \n endif\n else \n # Also compile the model\n if ( $?CopySrc ) then\n $Blder $Cfile\n else\n $Blder -git_local $Cfile\n endif\n endif\n\n#> Save Makefile with Compiler-dependent name and create symbolic\n#> link back to generic name.\n mv Makefile Makefile.$compilerString\n if ( -e Makefile.$compilerString && -e Makefile ) rm Makefile\n ln -s Makefile.$compilerString Makefile\n\n#> Check for error during makefile generation\n if ( $status != 0 ) then\n echo \" *** failure in $Blder ***\"\n exit 1\n endif\n\n exit\n" }, { "path": "POST/calc_tmetric/scripts/run_calc_tmetric.csh", "content": "#! /bin/csh -f\n\n# ===================== CALC_TMETRIC_v5.5.X Run Script =============\n# Usage: run_calc_tmetric.csh >&! calc_tmetric.log &\n#\n# To report problems or request help with this script/program:\n# http://www.epa.gov/cmaq (EPA CMAQ Website)\n# http://www.cmascenter.org\n# ===================================================================\n\n# ==================================================================\n#> Runtime Environment Options\n# ==================================================================\n\n#> Choose compiler and set up CMAQ environment with correct \n#> libraries using config.cmaq. Options: intel | gcc | pgi\n setenv compiler intel \n\n cd ../../..\n source ./config_cmaq.csh\n\n#> Set General Parameters for Configuring the Simulation\n set VRSN = v55 #> Code Version\n set PROC = mpi #> serial or mpi\n set MECH = cb6r5_ae7_aq #> Mechanism ID\n set APPL = Bench_2016_12SE1 #> Application Name (e.g. Gridname)\n \n#> Define RUNID as any combination of parameters above or others. By default,\n#> this information will be collected into this one string, $RUNID, for easy\n#> referencing in output binaries and log files as well as in other scripts.\n set RUNID = ${VRSN}_${compilerString}_${APPL}\n\n#> Set the build directory if this was not set above \n#> (this is where the executable is located by default).\n if ( ! $?BINDIR ) then\n set BINDIR = ${CMAQ_HOME}/POST/calc_tmetric/scripts/BLD_calc_tmetric_${VRSN}_${compilerString}\n endif\n\n#> Set the name of the executable.\n set EXEC = calc_tmetric_${VRSN}.exe\n\n\n#> Set output directory\n set POSTDIR = ${CMAQ_DATA}/POST #> Location where output file will be written\n\n if ( ! -e $POSTDIR ) then\n\t mkdir $POSTDIR\n endif\n\n\n# =====================================================================\n#> CALC_TMETRIC Configuration Options\n# =====================================================================\n\n#> operation to perform - SUM (default) or AVG\n setenv OPERATION AVG\n# setenv OPERATION SUM\n\n#> list of species to output - set to \"ALL\" to process all species from INFILE, or list species to process\n#> the output variable names will have the ${OPERATION} value (SUM or AVG) appended to the input variable names\n# setenv SPECIES_1 ALL\n setenv SPECIES_1 O3\n setenv SPECIES_2 CO\n setenv SPECIES_3 PM25_TOT\n\n#############################################################\n# Input files\n#############################################################\n\n#> ioapi input files containing SPECIES_{N} (max of 366)\n setenv M3_FILE_1 ${CMAQ_DATA}/POST/COMBINE_ACONC_${RUNID}_201607.nc\n# setenv M3_FILE_2 ${CMAQ_DATA}/POST/COMBINE_ACONC_${RUNID}_201608.nc\n #[Add location of input file, e.g. COMBINE_ACONC file.]\n\n#############################################################\n# Output files\n#############################################################\n\n#> ioapi output file\n setenv OUTFILE ${POSTDIR}/average_concentrations_${RUNID}.nc\n\n#> Executable call:\n ${BINDIR}/${EXEC}\n\n set progstat = ${status}\n if ( ${progstat} ) then\n echo \"ERROR ${progstat} in $BINDIR/$EXEC\"\n exit( ${progstat} )\n endif\n\n exit()\n" }, { "path": "POST/calc_tmetric/src/calc_tmetric.F", "content": "!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC****************************************************************************************\nc PROGRAM timeagg \nc\nC*****************************************************************************************\n USE M3FILES\n USE SPECIES\n USE GRID_DATA\n USE TIME_STEP\n\n USE M3UTILIO\n\n IMPLICIT NONE\n\nC external functions\n character*(16) int2Str\n character*(16) real2Str\n character*(16) date2Str\n character*(16) time2Str\n\nC local variables\n integer status\n logical lstatus\n integer logdev\n INTEGER NVARS_IN, KSWIT\n character*(3) c_proc\n character*(16) field\n character*(256) infile\n character*(256) outfile\n character*(256) MSG\n character*(16) VNAME_IN(MXVARS3)\n character*(16) VUNITS_IN(MXVARS3)\n character*(16) PNAME\n character*(16) VERSION\n real, allocatable :: in_data(:,:,:) \n real, allocatable :: proc_data(:,:,:) \n integer lfn\n integer i, s, t, idx, K, N\n integer column, row\n real x, y, lon, lat\nC**********************************************************************\n DATA PNAME / 'CALC_TMETRIC' /\n DATA Version / '1.0' /\n\nC... write program name and version number\n WRITE( *, '(a)' )\n & '>>----> Program ' // TRIM(PNAME) // ' (Version ' // TRIM(Version) // ') <----<<' \n\n lfn = 10\n\nC... start program\n logdev = init3 ()\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get the Models-3 file(s) to process and the other environment \nc variables\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n CALL OPEN_M3FILES\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Check the file(s) for consistency and make sure the requested \nc species is on the file(s)\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n CALL CK_M3FLS()\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get the grid definition and the tsteps from the M3 files\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n CALL GET_M3GRID\n\n CALL GET_TSTEPS\n\n\nC... get operation (SUM or AVG)\n CALL ENVSTR( 'OPERATION', 'Operation to be peformed - SUM or AVG', 'SUM', c_proc, status)\n\n IF ( ( C_PROC .NE. 'SUM') .AND. ( C_PROC .NE. 'AVG') )THEN\n CALL M3ERR(PNAME, 0, 0, 'Must set OPERATION to SUM or AVG', .TRUE.) \n ENDIF\n\nC... get species definitions from system variables\n Call loadSpecies()\n write(*,'(i5,'' species defined'')') NSPECVAR\n\n\n\nC... get name of output file \nC CALL ENVSTR( 'OUTFILE', 'Name of output file', 'OUTFILE', outfile, status)\n\nC... set up metadata for output file \n\n IF( .NOT. DESC3 ( M3_FLNAME( 1 ) ) ) THEN\n MSG = 'Could not read DESC of ' // M3_FLNAME( 1 ) \n & // ' file'\n CALL M3ERR( PNAME, 0, 0, MSG, .TRUE. )\n ENDIF\n \n NVARS_IN = NVARS3D\n DO S = 1, NVARS_IN !obtain units for all species from first input file\n VNAME_IN(S) = VNAME3D(S)\n VUNITS_IN(S) = UNITS3D(S)\n ENDDO !S\n\n TSTEP3D = 0 !make output file time independent\n NVARS3D = NSPECVAR !number of output species from module_spec \n DO S = 1, NSPECVAR\n VNAME3D(S) = TRIM(SPECVARS(S))//\"_\"//C_PROC \n VTYPE3D(S) = M3REAL \n VDESC3D(S) = C_PROC//\" OF \"//TRIM(SPECVARS(S))\n UNITS3D(S) = VUNITS_IN(INDEX1(SPECVARS(S),NVARS_IN,VNAME_IN))\n ENDDO !S\n\n\nC... open output file as new \n if( .NOT. OPEN3( 'OUTFILE', FSCREA3, TRIM(PNAME) ) ) THEN\n WRITE( *, '(''**ERROR** while openning OUTFILE'')' )\n stop \n endif \n\n\nC... start process loop\n\n ! allocate data array for 1 species\n allocate( in_data(NCOLS3D, NROWS3D, M3GRID % NLAYS), stat=status )\n IF ( status .NE. 0 ) THEN\n MSG = 'Failure allocating in_data'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n\n allocate( proc_data(NCOLS3D, NROWS3D, M3GRID % NLAYS), stat=status )\n IF ( status .NE. 0 ) THEN\n MSG = 'Failure allocating proc_data'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n\n DO S = 1, NSPECVAR\n write(*,'(''Processing species:'',a)') TRIM(SPECVARS(s))\n\n PROC_DATA = 0.\n \n \n DO N = 1, NSTEPS !number of time steps across all model files from module_tstep\n\n \n IF( .NOT. READ3( M3_FLNAME(STEP_FILE(N)), SPECVARS(s), \n & ALLAYS3, STEP_DATE(N), \n & STEP_TIME(N), IN_DATA ) ) THEN\n \n MSG = 'Could not read input Models-3 file ' // M3_FLNAME(STEP_FILE(N))\n CALL M3ERR( PNAME, STEP_DATE(N), STEP_TIME(N), MSG, .FALSE. )\n \n ELSE\n \n PROC_DATA = PROC_DATA + IN_DATA\n \n ENDIF\n \n \n enddo !N\n \n Write(*,'(''Done reading for species '',a)') \n & VNAME3D(S)\n \n\nc compute average if desired, write out the result for this variable\n\n IF ( C_PROC .EQ. 'AVG' ) PROC_DATA = PROC_DATA * (1. / FLOAT (NSTEPS) )\n \n IF ( .NOT. WRITE3('OUTFILE', VNAME3D(S), STEP_DATE(1),\n & STEP_TIME(1), PROC_DATA) ) THEN\n MSG = ' Cannot write to OUTFILE for species ' // VNAME3D(S)\n CALL M3EXIT( PNAME, STEP_DATE(1), STEP_TIME(1), MSG, 1 ) \n ENDIF\n\n ENDDO !S\n \n Write(*,'(''finished reading model values'')')\n\n DEALLOCATE(IN_DATA)\n DEALLOCATE(PROC_DATA)\n\nC... shut down ioapi\n KSWIT = SHUT3()\n WRITE(*,'('' IOAPI Shut down'')')\n STOP\n END\n\n\n\n\nC****************************************************************************\nC routine to convert integer to string\nC****************************************************************************\n Character*16 Function int2Str( value, fmt ) result(intStr)\n\n IMPLICIT NONE\n\n ! argument\n Integer value\n Character*(*) fmt\n\n Write(intStr,fmt) value\n Call LeftTrim(intStr)\n return\n End Function int2Str \n\n\nC****************************************************************************\nC routine to convert real to string\nC****************************************************************************\n Character*16 Function real2Str( value, fmt ) result(realStr)\n\n IMPLICIT NONE\n\n ! argument\n Real value\n Character*(*) fmt\n\n Write(realStr,fmt) value\n Call LeftTrim(realStr)\n return\n End Function real2Str \n \n\nC****************************************************************************\nC routine to convert date and time to string as \"yyyy-mm-dd\"\nC****************************************************************************\n Character*16 Function date2Str( date ) result(dateStr)\n \n Implicit None\n\n Integer date\n \nC.. local variables\n Integer month, day, year\n \n call DayMon( date, month, day )\n year = date/1000\n \n write(dateStr,'(i4.4,''-'',i2.2,''-'',i2.2)') year, month, day\n\n return\n End Function date2Str\n\n\nC****************************************************************************\nC routine to convert time to string as \"HH:MM:SS\" \nC****************************************************************************\n Character*16 Function time2Str( time ) result(timeStr)\n \n Implicit None\n\n Integer time \n \nC.. local variables \n Integer hour, minutes, secs\n \n hour = time/10000 \n minutes = (time - 10000*hour)/100 \n secs = mod(time,100) \n \n write(timeStr,'(i2.2,'':'',i2.2,'':'',i2.2)') \n & hour,minutes,secs\n return \n End Function time2Str \n \n" }, { "path": "POST/calc_tmetric/src/ck_ctms.F", "content": "\n!-----------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies!\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!-----------------------------------------------------------------------!\n\n! RCS file, release, date & time of last delta, author, state, [and locker]\n! $Header: /home/sjr/cvs2git/TOOLS/src/sitecmp/ck_ctms.F,v 1.4 2011/10/21 14:41:31 sjr Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC*************************************************************************\nC\nC FUNCTION: To check multiple input CTM conc files for consistent\nC header data\nC \nC \nC*************************************************************************\n SUBROUTINE CK_M3FLS()\n\n USE M3FILES\n USE M3UTILIO\n\n IMPLICIT NONE \n\n\nC..ARGUMENTS:\n\nC..PARAMETERS: None\n\nC..SAVED LOCAL VARIABLES: None\n\nC..SCRATCH LOCAL VARIABLES:\n CHARACTER*80 MSG ! Log message\n CHARACTER*16 PNAME ! Program Name\n CHARACTER*15 VAL1 ! Character value of real\n CHARACTER*15 VAL2 ! Character value of real\n\n INTEGER L, N ! Loop indices\n INTEGER FTYPE1 ! File 1 file type\n INTEGER NCOLS1 ! File 1 number of columns\n INTEGER NROWS1 ! File 1 number of rows\n INTEGER NLAYS1 ! File 1 number of levels\n INTEGER SDATE1 ! File 1 start date\n INTEGER STIME1 ! File 1 start time\n INTEGER TSTEP1 ! File 1 time step\n INTEGER MXREC1 ! File 1 number of time steps\n INTEGER NTHIK1 ! File 1 boundary thickness\n INTEGER GDTYP1 ! File 1 horizontal grid type\n INTEGER VGTYP1 ! File 1 Vertical coordinate type\n\n LOGICAL LERROR ! Error Flag\n LOGICAL LSTOP ! Exit Flag\n\n REAL P_ALP1 ! File 1 map projection parameter \n REAL P_BET1 ! File 1 map projection parameter \n REAL P_GAM1 ! File 1 map projection parameter\n REAL XORIG1 ! File 1 X-origin\n REAL YORIG1 ! File 1 Y-origin\n REAL XCELL1 ! File 1 X-dimension of cells\n REAL YCELL1 ! File 1 Y-dimension of cells\n REAL XCENT1 ! File 1 X-center of coordinate system\n REAL YCENT1 ! File 1 Y-center of coordinate system\n REAL VGTOP1 ! File 1 model top\n\n REAL VGLVS1( MXLAYS3 + 1 ) ! File vertical layer heights\n \nC**********************************************************************\n DATA PNAME / 'CK_M3FLS' /\n\n LSTOP = .FALSE.\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get header data for CTM file 1\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF( .NOT. DESC3 ( M3_FLNAME( 1 ) ) ) THEN\n MSG = 'Could not read DESC of ' // M3_FLNAME( 1 ) \n & // ' file'\n CALL M3ERR( PNAME, 0, 0, MSG, .TRUE. )\n ENDIF\n\n FTYPE1 = FTYPE3D\n NCOLS1 = NCOLS3D\n NROWS1 = NROWS3D\n NLAYS1 = NLAYS3D\n SDATE1 = SDATE3D\n STIME1 = STIME3D\n TSTEP1 = TSTEP3D\n MXREC1 = MXREC3D\n NTHIK1 = NTHIK3D\n GDTYP1 = GDTYP3D\n P_ALP1 = P_ALP3D\n P_BET1 = P_BET3D\n P_GAM1 = P_GAM3D\n XORIG1 = XORIG3D\n YORIG1 = YORIG3D\n XCELL1 = XCELL3D\n YCELL1 = YCELL3D\n XCENT1 = XCENT3D\n YCENT1 = YCENT3D\n VGTYP1 = VGTYP3D\n VGTOP1 = VGTOP3D\n DO N = 1 , NLAYS3D + 1\n VGLVS1( N ) = VGLVS3D( N )\n ENDDO\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Check to see that requested variable is on all files\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n DO N = 1, N_M3FILES\n\n IF( .NOT. DESC3 ( M3_FLNAME( N ) ) ) THEN\n MSG = 'Could not read DESC of ' // M3_FLNAME( N ) \n & // ' file'\n CALL M3ERR( PNAME, 0, 0, MSG, .TRUE. )\n ENDIF\n\n ENDDO\n\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Write out report data\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF( N_M3FILES .GT. 1 ) THEN \n MSG = 'Multiple Models-3 files being used' \n CALL M3MESG( MSG )\n MSG = 'Files being checked for consistent header data' \n CALL M3MESG( MSG )\n ENDIF\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Compare header data on file 1 with header data on other CTM files\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n DO N = 2, N_M3FILES\n\n WRITE( MSG, '( ''Differences found between files '', A, \n & '' and '', A )' ) \n & TRIM( M3_FLNAME( 1 ) ), \n & TRIM( M3_FLNAME( N ) )\n\n CALL M3MESG( MSG )\n\n LERROR = .FALSE.\n\n\n IF( .NOT. DESC3 ( M3_FLNAME( N ) ) ) THEN\n MSG = 'Could not read DESC of ' // M3_FLNAME( N ) \n & // ' file'\n CALL M3ERR( PNAME, 0, 0, MSG, .TRUE. )\n ENDIF\n \n IF( FTYPE1 .NE. FTYPE3D ) THEN\n WRITE( LOGUNIT, 94020 ) FTYPE1, N, FTYPE3D\n LERROR = .TRUE.\n ENDIF\n\n IF( NCOLS1 .NE. NCOLS3D ) THEN\n WRITE( LOGUNIT, 94040 ) NCOLS1, N, NCOLS3D\n LERROR = .TRUE.\n ENDIF\n\n IF( NROWS1 .NE. NROWS3D ) THEN\n WRITE( LOGUNIT, 94060 ) NROWS1, N, NROWS3D\n LERROR = .TRUE.\n ENDIF\n\n IF( NLAYS1 .NE. NLAYS3D ) THEN\n WRITE( LOGUNIT, 94080 ) NLAYS1, N, NLAYS3D\n LERROR = .TRUE.\n ENDIF\n\n IF( TSTEP1 .NE. TSTEP3D ) THEN\n WRITE( LOGUNIT, 94140 ) TSTEP1, N, TSTEP3D\n LERROR = .TRUE.\n ENDIF\n\n IF( NTHIK1 .NE. NTHIK3D ) THEN\n WRITE( LOGUNIT, 94180 ) NTHIK1, N, NTHIK3D\n LERROR = .TRUE.\n ENDIF\n\n IF( GDTYP1 .NE. GDTYP3D ) THEN\n WRITE( LOGUNIT, 94200 ) GDTYP1, N, GDTYP3D\n LERROR = .TRUE.\n ENDIF\n\n WRITE( VAL1, 94000 ) P_ALP1\n WRITE( VAL2, 94000 ) P_ALP3D\n IF( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94220 ) P_ALP1, N, P_ALP3D\n LERROR = .TRUE.\n ENDIF\n\n WRITE( VAL1, 94000 ) P_BET1\n WRITE( VAL2, 94000 ) P_BET3D\n IF( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94240 ) P_BET1, N, P_BET3D\n LERROR = .TRUE.\n ENDIF\n\n WRITE( VAL1, 94000 ) P_GAM1\n WRITE( VAL2, 94000 ) P_GAM3D\n IF( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94260 ) P_GAM1, N, P_GAM3D\n LERROR = .TRUE.\n ENDIF\n\n WRITE( VAL1, 94000 ) XORIG1\n WRITE( VAL2, 94000 ) XORIG3D\n IF( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94280 ) XORIG1, N, XORIG3D\n LERROR = .TRUE.\n ENDIF\n\n WRITE( VAL1, 94000 ) YORIG1\n WRITE( VAL2, 94000 ) YORIG3D\n IF( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94300 ) YORIG1, N, YORIG3D\n LERROR = .TRUE.\n ENDIF\n\n WRITE( VAL1, 94000 ) XCELL1\n WRITE( VAL2, 94000 ) XCELL3D\n IF( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94320 ) XCELL1, N, XCELL3D\n LERROR = .TRUE.\n ENDIF\n\n WRITE( VAL1, 94000 ) YCELL1\n WRITE( VAL2, 94000 ) YCELL3D\n IF( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94340 ) YCELL1, N, YCELL3D\n LERROR = .TRUE.\n ENDIF\n\n WRITE( VAL1, 94000 ) XCENT1\n WRITE( VAL2, 94000 ) XCENT3D\n IF( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94360 ) XCENT1, N, XCENT3D\n LERROR = .TRUE.\n ENDIF\n\n WRITE( VAL1, 94000 ) YCENT1\n WRITE( VAL2, 94000 ) YCENT3D\n IF( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94380 ) YCENT1, N, YCENT3D\n LERROR = .TRUE.\n ENDIF\n\n WRITE( VAL1, 94000 ) VGTOP1\n WRITE( VAL2, 94000 ) VGTOP3D\n IF( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94420 ) VGTOP1, N, VGTOP3D\n LERROR = .TRUE.\n ENDIF\n\n DO L = 1 , NLAYS1 + 1\n WRITE( VAL1, 94000 ) VGLVS1( L )\n WRITE( VAL2, 94000 ) VGLVS3D( L )\n IF( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94440 ) L, VGLVS1( L ), N, L,\n & VGLVS3D( L ) \n LERROR = .TRUE.\n ENDIF\n ENDDO\n \n IF( .NOT. LERROR ) THEN\n WRITE( LOGUNIT, 94460 )\n ELSE\n LSTOP = .TRUE.\n ENDIF\n\n\n ENDDO\n\n IF( LSTOP ) THEN\n MSG = 'Missing variable or file inconsistencies detected: stopping' \n CALL M3ERR( PNAME, 0, 0, MSG, .TRUE. )\n ENDIF\n \n RETURN\n\nC************************* FORMAT STATEMENTS ***************************\n\n94000 FORMAT( E15.5 )\n94020 FORMAT(10X, 'FTYPE1 = ', I3, ' FTYPE', I1, ' = ', I3 )\n94040 FORMAT(10X, 'NCOLS1 = ', I3, ' NCOLS', I1, ' = ', I3 )\n94060 FORMAT(10X, 'NROWS1 = ', I3, ' NROWS', I1, ' = ', I3 )\n94080 FORMAT(10X, 'NLAYS1 = ', I3, ' NLAYS', I1, ' = ', I3 )\n94100 FORMAT(10X, 'SDATE1 = ', I3, ' SDATE', I1, ' = ', I3 )\n94120 FORMAT(10X, 'STIME1 = ', I3, ' STIME', I1, ' = ', I3 )\n94140 FORMAT(10X, 'TSTEP1 = ', I3, ' TSTEP', I1, ' = ', I3 )\n94160 FORMAT(10X, 'MXREC1 = ', I3, ' MXREC', I1, ' = ', I3 )\n94180 FORMAT(10X, 'NTHIK1 = ', I3, ' NTHIK', I1, ' = ', I3 )\n94200 FORMAT(10X, 'GDTYP1 = ', I3, ' GDTYP', I1, ' = ', I3 )\n94220 FORMAT(10X, 'P_ALP1 = ', 1PE12.5, ' P_ALP', I1, ' = ', 1PE12.5 )\n94240 FORMAT(10X, 'P_BET1 = ', 1PE12.5, ' P_BET', I1, ' = ', 1PE12.5 )\n94260 FORMAT(10X, 'P_GAM1 = ', 1PE12.5, ' P_GAM', I1, ' = ', 1PE12.5 )\n94280 FORMAT(10X, 'XORIG1 = ', 1PE12.5, ' XORIG', I1, ' = ', 1PE12.5 )\n94300 FORMAT(10X, 'YORIG1 = ', 1PE12.5, ' YORIG', I1, ' = ', 1PE12.5 )\n94320 FORMAT(10X, 'XCELL1 = ', 1PE12.5, ' XCELL', I1, ' = ', 1PE12.5 )\n94340 FORMAT(10X, 'YCELL1 = ', 1PE12.5, ' YCELL', I1, ' = ', 1PE12.5 )\n94360 FORMAT(10X, 'XCENT1 = ', 1PE12.5, ' XCENT', I1, ' = ', 1PE12.5 )\n94380 FORMAT(10X, 'YCENT1 = ', 1PE12.5, ' YCENT', I1, ' = ', 1PE12.5 )\n94420 FORMAT(10X, 'VGTOP1 = ', 1PE12.5, ' VGTOP', I1, ' = ', 1PE12.5 )\n94440 FORMAT(10X, 'VGLVS1(', I2, ' ) = ', 1PE12.5, ' VGLVS', I1,\n & '(', I2, ' ) = ', 1PE12.5 )\n94445 FORMAT(10X, 'Variable ', A, ' not on file ', A )\n94460 FORMAT(10X, 'NONE' )\n\n END\n" }, { "path": "POST/calc_tmetric/src/module_file.F", "content": "\n!-----------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies!\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!-----------------------------------------------------------------------!\n\n! RCS file, release, date & time of last delta, author, state, [and locker]\n! $Header: /home/sjr/cvs2git/TOOLS/src/sitecmp/module_file.F,v 1.4 2011/10/21 14:41:32 sjr Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC*************************************************************************\nC\nC MODULE: sets up file data\nC \nC*************************************************************************\n MODULE M3FILES\n\n USE M3UTILIO\n\n INTEGER LOGUNIT ! Logdevice\n\n INTEGER N_M3FILES ! No. of input Models-3 files\n\n INTEGER, PARAMETER :: MXM3FLS = MXFILE3 - 1 ! Max no. of input files - use IOAPI parameter \n ! MXFILE3 - 1 to also allow one output file\n\n CHARACTER*16 M3_FLNAME( MXM3FLS ) ! Names of Models-3 file\n\n CHARACTER*256 M3FILE ! first filename\n\n CONTAINS\n\n\n SUBROUTINE OPEN_M3FILES\nC*************************************************************************\nC\nC FUNCTION: To provide site data\nC \nC*************************************************************************\n\n USE M3UTILIO\n\n IMPLICIT NONE \n\n \nC..ARGUMENTS: None\n\nC..PARAMETERS: None\n\nC..EXTERNAL FUNCTIONS: None\n\nC..SAVED LOCAL VARIABLES: None\n\nC..SCRATCH LOCAL VARIABLES:\n CHARACTER*16 ENV_DFLT ! Environment variable default value\n CHARACTER*16 FL_NAME ! Input Models-3 file name\n CHARACTER*16 PNAME ! Program Name\n CHARACTER*80 ENV_DESC ! Environment variable description\n CHARACTER*80 MSG ! Error message\n CHARACTER*256 RET_VAL ! Returned value of environment variable\n\n INTEGER N ! Loop index\n INTEGER STATUS ! Status code\n\nC**********************************************************************\n DATA PNAME / 'OPEN_M3FILES' /\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Determine the number of input CTM conc files that need to be read\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n LOGUNIT = INIT3()\n\n N_M3FILES = 0\n\n WRITE( LOGUNIT, 92020 )\n\n DO N = 1, MXM3FLS\n\n IF( N .LT. 10 ) THEN\n WRITE( FL_NAME, '( ''M3_FILE_'', I1 )' ) N\n WRITE( ENV_DESC, '( ''CTM Concentration file no. '', I1 )' ) N \n ELSEIF( N .LT. 100 ) THEN\n WRITE( FL_NAME, '( ''M3_FILE_'', I2 )' ) N\n WRITE( ENV_DESC, '( ''CTM Concentration file no. '', I2 )' ) N \n ELSE\n WRITE( FL_NAME, '( ''M3_FILE_'', I3 )' ) N\n WRITE( ENV_DESC, '( ''CTM Concentration file no. '', I3 )' ) N \n ENDIF\n\n ENV_DFLT = ' ' \n CALL ENVSTR( FL_NAME, ENV_DESC, ENV_DFLT, RET_VAL, STATUS)\n\n IF( STATUS .EQ. 0 ) THEN\n If( N_M3FILES .eq. 0) M3FILE = RET_VAL\n N_M3FILES = N_M3FILES + 1\n M3_FLNAME( N_M3FILES ) = FL_NAME\n Else\n Exit\n ENDIF\n \n ENDDO\n\n IF( N_M3FILES .EQ. 0 ) THEN\n MSG = 'No CTM CONC files found'\n CALL M3ERR( PNAME, 0, 0, MSG, .TRUE. )\n ENDIF\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Open the files ccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n DO N = 1, N_M3FILES\n IF( .NOT. OPEN3( M3_FLNAME( N ), 1, PNAME) )THEN\n CALL M3EXIT( PNAME, 0 , 0,\n & 'Could not open input file ' // M3_FLNAME( N ),\n & XSTAT1 )\n ENDIF\n ENDDO \n\n RETURN\n\nC****************** FORMAT STATEMENTS ******************************\n\n92020 FORMAT( //5X, A, // )\n\n END SUBROUTINE OPEN_M3FILES\n\n \n END MODULE M3FILES\n" }, { "path": "POST/calc_tmetric/src/module_grid.F", "content": "\n!-----------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies!\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!-----------------------------------------------------------------------!\n\n! RCS file, release, date & time of last delta, author, state, [and locker]\n! $Header: /home/sjr/cvs2git/TOOLS/src/sitecmp/module_grid.F,v 1.4 2011/10/21 14:41:32 sjr Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC*************************************************************************\nC\nC MODULE: defines a grid class\nC \nC*************************************************************************\n MODULE GRID_DATA\n\n TYPE GRID\n\n INTEGER :: NCOLS\n INTEGER :: NROWS\n INTEGER :: NLAYS\n INTEGER :: GDTYP\n\n REAL*8 :: P_ALP\n REAL*8 :: P_BET\n REAL*8 :: P_GAM\n REAL*8 :: XCENT\n REAL*8 :: YCENT\n REAL*8 :: XORIG\n REAL*8 :: YORIG\n REAL*8 :: XCELL\n REAL*8 :: YCELL\n\n END TYPE GRID\n\n TYPE ( GRID ) M3GRID\n\n CONTAINS\n\n SUBROUTINE GET_M3GRID\nC*************************************************************************\nC\nC FUNCTION: To set grid data\nC \nC*************************************************************************\n USE M3FILES\n USE M3UTILIO\n\n IMPLICIT NONE \n\nC..ARGUMENTS: None\n\nC..PARAMETERS: None\n\nC..EXTERNAL FUNCTIONS: None\n\nC..SAVED LOCAL VARIABLES: None\n\nC..SCRATCH LOCAL VARIABLES:\n CHARACTER*16 PNAME ! Program Name\n\n INTEGER N ! Loop index\n INTEGER STATUS ! Status code\n\nC**********************************************************************\n DATA PNAME / 'GET_GRID' /\n\n IF ( .NOT. DESC3( M3_FLNAME( 1 ) ) ) THEN\n CALL M3EXIT( PNAME, 0, 0,\n & 'Could not get ' // M3_FLNAME( 1 ) //\n & ' file description', XSTAT1 )\n ENDIF\n\n M3GRID % NCOLS = NCOLS3D\n M3GRID % NROWS = NROWS3D\n M3GRID % NLAYS = NLAYS3D\n M3GRID % GDTYP = GDTYP3D\n\n M3GRID % P_ALP = P_ALP3D\n M3GRID % P_BET = P_BET3D\n M3GRID % P_GAM = P_GAM3D\n M3GRID % XCENT = XCENT3D\n M3GRID % YCENT = YCENT3D\n M3GRID % XORIG = XORIG3D\n M3GRID % YORIG = YORIG3D\n M3GRID % XCELL = XCELL3D\n M3GRID % YCELL = YCELL3D\n\n RETURN\n\n END SUBROUTINE GET_M3GRID\n\n END MODULE GRID_DATA\n" }, { "path": "POST/calc_tmetric/src/module_spec.F", "content": "!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC*************************************************************************\nC\nC MODULE: defines a set of species variables\nC\nC*************************************************************************\n MODULE SPECIES\n\n Character*(16) :: SPECVARS(2048)\n INTEGER NSPECVAR\n \n CONTAINS\n \n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC ROUTINE TO GET SPECIES DEFINITIONS FROM ENVIRONMENT VARIABLES\nCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC\n SUBROUTINE LoadSpecies\n\n USE M3UTILIO\n \n IMPLICIT NONE\n\n ! local variables\n Integer k, n\n Integer status\n Character*(16) varname\n Character*(16) field \n\n NSPECVAR = 0\n do k=1,2048\n \n ! build VARNAME\n write(field,'(i5)') k\n Call leftTrim(field)\n varname = 'SPECIES_' // TRIM(field)\n \n ! get environment variable varname\n CALL ENVSTR( varname, 'Species Variable definition', 'Not Used', field, status)\n IF( status .ne. 0 ) EXIT\n\n ! check for SPECIES_1 = 'ALL\" for all species\n if( k.eq.1 .and. TRIM(field).eq.'ALL' ) then\n \n NSPECVAR = NVARS3D\n\t \n if( NSPECVAR.gt.SIZE(SPECVARS) ) then\n NSPECVAR = SIZE(SPECVARS)\n write(*,'(//,''**Warning** the number of species exceed maximum'')')\n write(*,'('' Only the first'',i4,'' species will be processed'')') NSPECVAR\n endif \n\n ! copy all species\n do n=1,NVARS3D\n SPECVARS(n) = VNAME3D(n)\n enddo \n\n EXIT !using all species\n endif\n \n NSPECVAR = NSPECVAR + 1\n SPECVARS( NSPECVAR ) = field\n\n enddo\n \n end Subroutine LoadSpecies\n \n END MODULE SPECIES\n\n" }, { "path": "POST/calc_tmetric/src/module_tstep.F", "content": "\n!-----------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies!\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!-----------------------------------------------------------------------!\n\n! RCS file, release, date & time of last delta, author, state, [and locker]\n! $Header: /home/sjr/cvs2git/TOOLS/src/sitecmp/module_tstep.F,v 1.4 2011/10/21 14:41:33 sjr Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC*************************************************************************\nC\nC MODULE TIME_STEP: defines a time class\nC \nC*************************************************************************\n MODULE TIME_STEP\n\n INTEGER :: NSTEPS\n\n INTEGER , ALLOCATABLE :: STEP_DATE( : )\n INTEGER , ALLOCATABLE :: STEP_TIME( : )\n INTEGER , ALLOCATABLE :: STEP_FILE( : )\n\n INTEGER :: TIMESTEP\n\n CONTAINS\n\n SUBROUTINE GET_TSTEPS\nC*************************************************************************\nC\nC FUNCTION: Set-up time step sequence for reading files and writing\nC output records\nC \nC*************************************************************************\n USE M3FILES\n USE M3UTILIO\n\n IMPLICIT NONE \n\nC..ARGUMENTS: None\n\nC..PARAMETERS: None\n\nC..SAVED LOCAL VARIABLES: None\n\nC..SCRATCH LOCAL VARIABLES:\n CHARACTER*80 MSG ! Log message\n CHARACTER*16 PNAME ! Program Name\n\n INTEGER D0, D1 ! Differences betwwen two times, seconds\n INTEGER INDX ! Array location to insert new index\n INTEGER MXSTEPS ! max possible no. of time steps\n INTEGER N, NFL, NS, N2 ! Loop indices\n INTEGER JDATE ! Current date\n INTEGER JTIME ! Current time\n INTEGER STATUS\n\n \nC**********************************************************************\n DATA PNAME / 'GET_TSTEPS' /\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get the maximum number of time steps\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n MXSTEPS = 0\n DO N = 1, N_M3FILES\n\n IF( .NOT. DESC3( M3_FLNAME( N ) ) ) THEN\n CALL M3EXIT( PNAME, 0, 0, 'Could not get ' //\n & M3_FLNAME( N ) // ' file description',\n & XSTAT1 )\n ENDIF\n\n MXSTEPS = MXSTEPS + MXREC3D\n ENDDO\n\n ALLOCATE( STEP_DATE( MXSTEPS ), STEP_TIME( MXSTEPS ), \n & STEP_FILE( MXSTEPS ), stat=status )\n\n IF ( status .NE. 0 ) THEN\n MSG = 'Failure allocating step_date, step_time, or step_file'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Load all steps from first file\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF( .NOT. DESC3( M3_FLNAME( 1 ) ) ) THEN\n CALL M3EXIT( PNAME, 0, 0, 'Could not get ' // \n & M3_FLNAME( 1 ) // ' file description',\n & XSTAT1 )\n ENDIF\n\n JDATE = SDATE3D\n JTIME = STIME3D\n TIMESTEP = TSTEP3D\n\n NSTEPS = MXREC3D\n\n DO NS = 1, NSTEPS\n STEP_DATE( NS ) = JDATE\n STEP_TIME( NS ) = JTIME\n STEP_FILE( NS ) = 1\n CALL NEXTIME( JDATE, JTIME, TSTEP3D )\n ENDDO\n\n IF( N_M3FILES .EQ. 1 ) RETURN\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Insert non-duplicative time steps from remaining files in the array\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n MSG = 'Multiple CTM Concentration files being used' \n CALL M3MESG( MSG )\n MSG = 'Duplicate time steps will be eliminated' \n CALL M3MESG( MSG )\n\n DO NFL = 2, N_M3FILES\n\n IF ( .NOT. DESC3( M3_FLNAME( NFL ) ) ) THEN\n CALL M3EXIT( PNAME, 0, 0,\n & 'Could not get ' // M3_FLNAME( NFL ) //\n & ' file description', XSTAT1 )\n ENDIF\n\n JDATE = SDATE3D\n JTIME = STIME3D\n\n DO NS = 1, MXREC3D\n\n DO N = 1, NSTEPS\n\n INDX = 0\n D1 = SECSDIFF( STEP_DATE( N ), STEP_TIME( N ),\n & JDATE, JTIME )\n\n IF( N .EQ. 1 .AND. D1 .LT. 0 ) THEN\n INDX = 1\n ELSEIF( N .EQ. NSTEPS .AND. D1 .GT. 0 ) THEN\n INDX = NSTEPS + 1\n ELSEIF( N .GT. 1 ) THEN\n D0 = SECSDIFF( STEP_DATE( N - 1 ), STEP_TIME( N - 1 ),\n & JDATE, JTIME )\n IF( D0 .GT. 0 .AND. D1 .LT. 0 ) INDX = N\n ENDIF\n \n IF( INDX .GT. 0 ) THEN\n DO N2 = NSTEPS, INDX, -1\n STEP_DATE( N2 + 1 ) = STEP_DATE( N2 )\n STEP_TIME( N2 + 1 ) = STEP_TIME( N2 )\n ENDDO\n \n STEP_DATE( INDX ) = JDATE\n STEP_TIME( INDX ) = JTIME\n STEP_FILE( INDX ) = NFL\n NSTEPS = NSTEPS + 1\n ENDIF\n\n ENDDO\n\n IF( INDX .EQ. 0 ) WRITE( LOGUNIT, 93000) JDATE, JTIME,\n & M3_FLNAME( NFL )\n CALL NEXTIME( JDATE, JTIME, TSTEP3D )\n\n ENDDO\n\n ENDDO\n\n RETURN\n\n\n93000 FORMAT( 10X, 'Duplicate time step ignored: ', I7, 1X, I6, 1X, A )\n\n END SUBROUTINE GET_TSTEPS\n\n END MODULE TIME_STEP\n\n\n\n\n\n\n\n\n" }, { "path": "POST/calc_tmetric/src/parser.F", "content": "!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC***********************************************************************\n\nC***********************************************************************\nC routines for parsing a delimited text record\nC***********************************************************************\n\nC Return the number of fields in record\n INTEGER FUNCTION getNumberOfFields( record, delimiter ) result( nfields )\n\n CHARACTER*(*) record\n CHARACTER*(1) delimiter\n Integer getFieldCount\n\n Integer i\n\n ! if delimiter is space, use getFieldCount function\n if( delimiter.eq.' ') then\n nfields = getFieldCount(record, delimiter)\n return\n endif\n\n nfields = 1\n Do i=1, LEN(record)\n if( record(i:i) .eq. delimiter ) nfields = nfields+1\n EndDo\n\n Return\n End\n\nC Return the number of parsed fields in record\nC this method considers duplicate delimiters as one\n INTEGER FUNCTION getFieldCount(record, delimiter)\n & result(nfields)\n\n CHARACTER*(*) record\n CHARACTER*(*) delimiter\n\n Integer i\n Logical infield\n Logical isDel\n\n nfields = 0\n infield = .false.\n Do i=1,LEN(record)\n isDel = (record(i:i).eq.delimiter)\n\n ! check for start of field\n if( .NOT.infield .and. .NOT.isDel ) then\n nfields = nfields+1\n infield = .true.\n cycle\n endif\n\n ! check for end of field\n if( infield .and. isDel ) then\n infield = .false.\n cycle\n endif\n enddo \n \n Return\n end\n\n\nC Return the nth field of record\n Subroutine getField( record, delimiter, nth, field )\n\n CHARACTER*(*) record\n CHARACTER*(1) delimiter\n Integer nth\n CHARACTER*(*) field\n\n Integer nfields\n Integer i, pos1\n\n ! if delimiter is space, use method 2\n if( delimiter.eq.' ' ) then\n call getField2( record, delimiter, nth, field )\n call RightTrim(field)\n return\n endif\n \n pos1 = 1\n nfields = 0\n field = ''\n Do i=1, LEN(record)\n if( record(i:i) .eq. delimiter ) then\n nfields = nfields+1 \n if( nfields .eq. nth ) then\n if(pos1.lt.i) field = record(pos1:i-1)\n call RightTrim(field)\n return\n Endif\n pos1 = i+1\n Endif\n Enddo\n\n nfields = nfields+1 \n\n ! check if last field\n if( nfields .eq. nth ) then\n field = record(pos1:)\n Endif\n\n Call RightTrim(field)\n Return\n End\n \nC Return the nth field in record (method 2)\nC this method considers duplicate delimiters as one\nC\n Subroutine getField2( record, delimiter, nth, field )\n \n CHARACTER*(*) record\n CHARACTER*(*) delimiter\n Integer nth\n CHARACTER*(*) field\n \n Integer nfields\n Integer i, pos1\n Logical infield\n Logical isDel\n \n nfields = 0\n field = ''\n infield = .false.\n Do i=1,LEN(record)\n isDel = (record(i:i).eq.delimiter)\n \n ! check for start of field\n if( .NOT.infield .and. .NOT.isDel ) then \n nfields = nfields+1\n pos1 = i\n infield = .true.\n endif\n \n ! check for end of field\n if( infield .and. isDel ) then\n infield = .false.\n endif\n \n ! if end of nth field, return\n if( nfields.eq.nth .and. .not.infield ) then\n if(pos1.lt.i) field = record(pos1:i-1)\n return\n endif\n enddo\n \n ! check for last field\n if( nfields.eq.nth ) field = record(pos1:)\n \n Return\n End\n\n \nC Return the number of parsed fields in record\n INTEGER FUNCTION getParsedNumber( record, delimiter ) result( nfields )\n\n CHARACTER*(*) record\n CHARACTER*(*) delimiter\n\n Integer i\n\n nfields = 1\n Do i=1, LEN(record)\n if( index(delimiter,record(i:i)) .gt. 0 ) nfields = nfields+1\n EndDo\n\n Return\n End\n \nC Return the nth field of record\n Subroutine getParsedField( record, delimiter, nth, field, includeDel )\n\n CHARACTER*(*) record\n CHARACTER*(*) delimiter\n Integer nth\n CHARACTER*(*) field\n Logical includeDel \n\n Integer nfields\n Integer i, pos1\n \n pos1 = 1\n nfields = 0\n field = ''\n Do i=1, LEN(record)\n if( index(delimiter,record(i:i)) .gt. 0 ) then\n nfields = nfields+1 \n if( nfields .eq. nth ) then\n if( pos1.lt.i ) field = record(pos1:i-1)\n return\n Endif\n\n ! define starting point of next field\n pos1 = i+1\n if( includeDel ) pos1 = i\n \n Endif\n Enddo\n\n nfields = nfields+1 \n\n ! check if last field\n if( nfields .eq. nth ) then\n field = record(pos1:)\n Endif\n\n Return\n End\n \nC***********************************************************************\nC Returns the nth field of record\nC***********************************************************************\n Subroutine getFld( record, delimiter, nth, del, field )\n \n IMPLICIT NONE\n \n CHARACTER*(*) record\n CHARACTER*(*) delimiter\n CHARACTER del\n Integer nth\n CHARACTER*(*) field\n \n Integer nfields\n Integer i, pos1\n \n pos1 = 1\n nfields = 0\n del = delimiter(1:1)\n field = ''\n Do i=1, LEN(record)\n if( index( delimiter,record(i:i) ) .gt. 0 ) then\n nfields = nfields+1\n if( nfields .eq. nth ) then\n if(pos1.le.i) field = record(pos1:i-1)\n call LeftTrim(field)\n call RightTrim(field)\n return \n Endif \n del = record(i:i) \n pos1 = i+1 \n Endif \n Enddo \n \n nfields = nfields+1 \n \n ! check if last field \n if( nfields .eq. nth ) then \n field = record(pos1:) \n Endif \n \n Call LeftTrim(field) \n Call RightTrim(field) \n Return \n End\n\n\nC***********************************************************************\nC Returns the number of parsed fields in record\nC***********************************************************************\n INTEGER FUNCTION getFldCount(record, delimiter)\n & result(nfields)\n \n IMPLICIT NONE\n \n CHARACTER*(*) record\n CHARACTER*(*) delimiter\n \n Integer i\n Logical isDel\n \n nfields = 0\n if( LEN_TRIM(record).gt.0 ) nfields = 1\n \n Do i=1,LEN(record)\n isDel = ( index(delimiter, record(i:i)) .gt. 0 ) \n if( isDel ) then \n nfields = nfields+1 \n cycle \n endif \n enddo \n \n Return \n end \n \nC****************************************************************************\nC routine to remove leading blank spaces from Character String\nC****************************************************************************\n Subroutine LeftTrim( STRING )\n\n CHARACTER*(*) STRING\n Integer I\n\n Do I=1,LEN(STRING)\n if(STRING(I:I) .ne. CHAR(32)) Then\n STRING = STRING(I:)\n RETURN\n EndIf \n EndDo\n\n Return\n End Subroutine LeftTrim\n\nC****************************************************************************\nC routine to remove trailing white spaces from Character String\nC****************************************************************************\n Subroutine RightTrim( STRING )\n \n CHARACTER*(*) STRING\n Integer I\n \n Do I=LEN(STRING),1,-1\n if(STRING(I:I) .lt. CHAR(32)) STRING(I:I) = CHAR(32)\n if(STRING(I:I) .gt. CHAR(32)) Exit\n EndDo\n\n Return\n End Subroutine RightTrim\n\n\nC****************************************************************************\nC routine to remove quotation marks from character field\nC****************************************************************************\n Subroutine rmQuots( string )\n \n Implicit none\n \n ! arguments \n Character*(*) string\n \n Integer last, i\n \n \n call LeftTrim(string)\n last = LEN_TRIM(string)\n \n ! if no quot marks, return\n if( string(1:1).ne.'\"' .and. string(last:last).ne.'\"') return\n \n ! remove last quot mark\n string(last:last) = ' '\n \n do i=1,last-1\n string(i:i) = string(i+1:i+1)\n enddo \n \n Return \n End Subroutine rmQuots \n\nC***********************************************************************\nC Routine to change character string to upper characters\nC***********************************************************************\n SUBROUTINE UCASE ( STR )\n \n IMPLICIT NONE\n \n CHARACTER STR*( * )\n INTEGER I\n INTEGER K\n \n DO I = 1, LEN(STR)\n K = ICHAR(STR(I:I))\n IF ( ( K .GE. 97 ) .AND. ( K .LE. 122 ) )\n & STR( I:I ) = CHAR( K - 32 )\n END DO\n \n RETURN\n END SUBROUTINE UCASE\n\n" }, { "path": "POST/combine/README.md", "content": "Combine\n========\n\nThis Fortran program combines fields from a set of IOAPI or wrfout input files to an output file. The file assigned to environmental variable SPECIES_DEF defines the new species variables and how they are constructed. This means that all the species listed in the SPECIES_DEF files need to be output when CMAQ is being run. One option is to set the ACONC (or CONC) output to be all species. \n\n## Run Time Environment variables used:\n\n```\n GENSPEC Indicates to generate a new SPECIES_DEF file (does not generate OUTFILE)\n Choices are: Y, N. (e.g. setenv GENSPEC N)\n SPECIES_DEF Set location of species definition files.\n INFILE1 input file number 1\n The maximum number of IOAPI files is set to be one less than the global IOAPI parameter MXFILE3.\n\t Since this parameter is currently set to 64 (https://www.cmascenter.org/ioapi/documentation/all_versions/html/TUTORIAL.html),\n\t the maximum number of IOAPI input files is 63.\n OUTFILE IOAPI output file name, opened as read/write if it does not exist and \n read/write/update if it already exists\n```\n\n## Run Time Environment Variables (not required):\n```\n IOAPI_ISPH projection sphere type (use type #20 to match WRF/CMAQ)\n (the default for this program is 20, overriding the ioapi default of 8) \n```\nRecord type descriptions in SPECIES_DEF file\n\n```\n / records are comment lines\n ! records are comment lines\n # records can be used to define parameters\n #start YYYYDDD HHMMSS\n #end YYYYDDD HHMMSS\n #layer KLAY (default is all layers)\n```\nAll other records are read as variable definition records\n```\n format of variable definition records (comma seperated fields)\n field 1: variable name (maximum of 16 characters)\n field 2: units (maximum of 10 characters)\n field 3: formular expression (maximum of 512 characters)\n ```\n\nFormular expressions support operators ^+-\\*/ and are evaluated based on mathematical order of operations, i.e., powers first, multiplication/division next and addition/subtraction last. Order of evaluation can be forced by use of parentheses. When part of an expression is enclosed in parentheses, that part is evaluated first. Table 1. lists supported functions evalutated for each grid cell per each file time step. In addition, formular expressions can use conditional statements of the form \"expression_for_condition ? expresssion_if_true : expression_if_false\". Conditional statements have the highest rank in the order of formular operations.\n\nTable 1. Grid Cell Functions per Output Time Step \n\n| Name |Result | \n|:-------------|:---------------------------:| \n| LOG(X[n]) |Natural Logarithm of X[n] | \n| LOG10(X[n]) |Logarithm Base 10 of X[n] | \n| EXP(X[n]) |Exponential of X[n] | \n| SIN(X[n]) |Sine of X[n] | \n| COS(X[n]) |Cosine of X[n] | \n| TAN(X[n]) |Tangent of X[n] | \n| ASIN(X[n]) |Arcsine of X[n] | \n| ACOS(X[n]) |Arccosine of X[n] | \n| ATAN(X[n]) |Acrtangent of X[n] | \n| ABS(X[n]) |Absolute Value of X[n] | \n| SINH(X[n]) |Hyperbolic Sine of X[n] | \n| COSH(X[n]) |Hyperbolic Cosine of X[n] | \n| TANH(X[n]) |Hyperbolic Tangent of X[n] | \n| INT(X[n]) |Integer Truncation of X[n] | \n| SQRT(X[n]) |Square Root of X[n] | \n| SIGN(X[n]) |Sign of X[n] | \n| ERF(X[n]) |Gauss Error Function of X[n] | \n \n 0 Value of n equals an input file number or zero if X is a derived variable.\n\nFormular expresssions can also use functions (Table 2.) computed for a variable *common* to all input files so each input file *must* contain a variable named X at the timestep.\n\nTable 2. Functions over all Input Files per Output Time Step \n\n| Name |Result | \n|:-----------|:---------------------------------:| \n| FMAX[X] |Maximum of X over files | \n| FMIN[X] |Minumum of X over files | \n| FAVG[X] |Average of X over files | \n| FSDEV[X] |Standard Deviation of X over files | \n\nVariables from input files are defined by their name followed by its file number enclosed in brackets. Once defined in a species definition file, variables can subsequently be referred to by their name and the number zero enclosed in brackets. Adding a + or - sign before the file number within the bracket instructs combine to use the variable value for the next or previous timestep instead of the current time step when evaluating the expression. This can be used to define variables that are computed as difference between the current and previous time step, for example to compute hourly precipitation as the difference in WRF cumulative precipitation values between successive timesteps.\n\nExamples of possible post-processing expressions are shown in the sample SPECIES_DEF files under the scripts/spec_def_files folder in this directory. Species definitions are used to specify how the concentrations of raw output species from CMAQ should be aggregated or transformed into variables of interest. For example, the concentrations of NO and NO2 from CMAQ can be added together to yield the concentration of NOx. Because each chemical mechanism being used in CMAQ differs in the number and kind of species it treats, each example file is specific to a certain chemical mechanism. The sample SpecDef files provided have been labeled according to the mechanism each corresponds to. In version 5.5, we have added SpecDef_Conc files which explicitly map output from the CCTM_CONC and CCTM_ACONC variables to post-processed variables consistent with output from the ELMO module. See [User Guide section 8.2](../../DOCS/Users_Guide/CMAQ_UG_ch08_analysis_tools.md).\n\nIn addition to each SpecDef file, a SpecDef_Dep file exists for each chemical mechanism that demonstrates how deposition rates can be aggregated to useful quantities (these are indicated with the \"Dep\" label in the file name). Users wanting to apply `combine` to other post-processing tasks (e.g. aggregating raw DDM3D or ISAM output species, aggregating individual aerosol species from DESID diagnostic emission files into total PM emissions) can use these sample files as a starting point for creating their own SPECIES_DEF files supporting such applications.\n\n**If you have questions about the sample species definition files or find something that does not seem correct please discuss it with us by creating an \"Issue\" through GitHub or contacting the CMAS Help Desk: http://www.cmascenter.org.**\n\n## Compile combine source code:\n\nExecute the build script to compile combine:\n\n```\ncd $CMAQ_HOME/POST/combine/scripts\n./bldit_combine.csh [compiler] [version] |& tee build_combine.log\n```\n\n## Run combine:\nEdit the sample run script (run.combine.aconc), then run:\n```\n ./run.combine |& tee combine.aconc.log\n```\nA sample run script for creating combine files for evaluating deposition and hourly average concentrations is also provided (run_combine.csh). In addition to aggregating CCTM output variables, this script also illustrates the use of looping to combine day-specific CCTM files with hourly values into a single output file with hourly values that spans the entire analysis period. Note that this sample run script contains two time loops over days, one for creating the combine file for hourly average concentrations (using inputs from CCTM_ACONC, CCTM_AELMO, METCRO2D, and METCRO3D) and a second one for creating the combine file for deposition (using inputs from CCTM_DRYDEP, CCTM_WETDEP1, and METCRO2D). Within each time loop, specific definitions of SPECIES_DEF, INFILEx and OUTFILE are being set up before calling the `combine` executable for each day. If users wish to adapt this run script for their own application (e.g. for aggregating diagnostic emission files), only a single time loop may be required.\n\nCheck the log file to ensure complete and correct execution without errors.\n\n## Note on the use of wrfout files as input to combine:\nMeteorological variables used as part of the SPECIES_DEF file typically are obtained from wrfout files that have been processed through MCIP and follow IOAPI-netCDF formatting guidelines. However, `combine` also allows reading variables directly from wrfout files to support post-processing of outputs from the two-way model when MCIP files may not be available. To make use of this capability, several requirements need to be met:\n * When using a combination of IOAPI and (netcdf) wrfout files as input files, the first input file (i.e. INFILE1) **must** be an IOAPI file and its grid description information will be used to define the grid for OUTFILE.\n * Only wrfout variables defined with dimensions \"west_east\", \"south_north\", and optionally \"bottom_top\" can be utilized by `combine` and referenced in the SPECIES_DEF file.\n * The projection used in the WRF simulation that generated the wrfout files must be the same as the projection defined in the IOAPI files, specifically INFILE1. \n\nIf necessary, combine will window the variables from the wrfout file to the domain specified in INFILE1, this often is the case when the CMAQ domain was a subset of the WRF domain. To support such windowing, the following conditions need to be met [(also see the MCIP release notes for CMAQv5.5)](https://github.com/USEPA/CMAQ/wiki/CMAQ-Release-Notes:-Preprocessors#mcip):\n * The domains defined in the wrfout and INFILE1 files need to be concentric.\n * The horizontal grid spacing defined in the wrfout and INFILE1 files needs to be greater than 400 meters because the rigor of the windowing algorithm has not been tested below that scale. \n\n## Note on time steps:\nUnless \"start\" and \"end\" are defined in the SPECIES_DEF file, combine will determine the longest time period that is common to all input files and will produce outputs for that time period.\n\n" }, { "path": "POST/combine/scripts/bldit_combine.csh", "content": "#! /bin/csh -f\n\n# ==================== COMBINEv5.5.X Build Script ===================== #\n# Usage: bldit_combine.csh >&! bldit_combine.log #\n# Requirements: I/O API & netCDF libraries; a Fortran compiler #\n# #\n# To report problems or request help with this script/program: #\n# http://www.cmascenter.org #\n# =================================================================== #\n\n# =======================================================================\n#> Preliminary error checking and environment configuration\n# =======================================================================\n\n#> Check that the host system is Linux-based\n set BLD_OS = `uname -s` \n if ($BLD_OS != 'Linux') then\n echo \" $BLD_OS -> wrong bldit script for host!\"\n exit 1\n endif\n\n#> Set Compiler Identity by User Input: Options -> intel | pgi | gcc\n if ( $#argv == 1 ) then\n setenv compiler $argv[1]\n setenv compilerVrsn Empty\n else if ( $#argv == 2 ) then\n #> Compiler Name and Version have been provided\n setenv compiler $1\n setenv compilerVrsn $2\n else\n echo \"usage: $0 \"\n echo \" where is intel, pgi or gcc\"\n exit(2)\n endif\n\n#> Source the config.cmaq file to set the build environment\n cd ../../..\n source ./config_cmaq.csh\n\n#> Source Code Repository\n setenv REPOROOT ${CMAQ_REPO}/POST/combine #> location of the source code for COMBINE\n\n#===============================================================================\n#> Begin User Input Section \n#===============================================================================\n\n#> User choices: working directory and application ID\n set VRSN = v55 #> model version\n set EXEC = combine_${VRSN}.exe #> executable name for this application\n set CFG = combine_${VRSN}.cfg #> BLDMAKE configuration file name\n setenv BLDER ${CMAQ_HOME}/UTIL/bldmake/bldmake_${compilerString}.exe #> location of makefile builder executable \n\n#> user choice: copy source files\n set CopySrc #> copy the source files into the BLD directory\n\n #set MakeFileOnly # builds a Makefile to make the model, but does not compile -\n # comment out to also compile the model (default if not set)\n\n# set CompileBLDMAKE #> Recompile the BLDMAKE utility from source\n #> comment out to use an existing BLDMAKE executable\n set ModDriver = src #> COMBINE Modules\n\n\n#============================================================================================\n#> Computing System Configuration:\n#> Most of these settings are done in config.cmaq\n#============================================================================================\n\n#> Set full path of Fortran 90 compiler\n setenv FC ${myFC}\n set FP = $FC\n\n#> Set IO/API version\n set IOAPI = ioapi_3.1\n\n#> Set compiler flags\n set FSTD = \"${myFSTD}\"\n set DBG = \"${myDBG}\"\n setenv F_FLAGS \"${myFFLAGS}\"\n set F90_FLAGS = \"${myFRFLAGS}\"\n set CPP_FLAGS = \"\" #> Fortran Preprocessor Flags\n set LINK_FLAGS = \"${myLINK_FLAG}\" #> Link Flags\n\n set LIB2 = \"${ioapi_lib}\"\n\n\n#============================================================================================\n#> Set up the combine build directory under the POST directory\n#> for checking out and compiling source code\n#============================================================================================\n set Bld = ${CMAQ_HOME}/POST/combine/scripts/BLD_combine_${VRSN}_${compilerString}\n\n if ( ! -e \"$Bld\" ) then\n mkdir -pv $Bld\n else\n if ( ! -d \"$Bld\" ) then\n echo \" *** target exists, but not a directory ***\"\n exit 1\n endif\n endif\n\n cd $Bld\n\n#> Check for previous run\n if ( -e \"$Bld/${CFG}\" ) then\n echo \" >>> previous ${CFG} exists, re-naming to ${CFG}.old <<<\"\n mv $Bld/${CFG} $Bld/${CFG}.old\n endif\n\n#============================================================================================\n#> Make the config file\n#============================================================================================\n set Cfile = ${Bld}/$CFG\n set quote = '\"'\n\n echo > $Cfile\n echo \"model $EXEC;\" >> $Cfile\n echo >> $Cfile\n echo \"repo $REPOROOT;\" >> $Cfile\n echo >> $Cfile\n echo \"lib_base ${CMAQ_LIB};\" >> $Cfile\n echo >> $Cfile\n echo \"lib_1 ioapi/lib;\" >> $Cfile\n echo >> $Cfile\n echo \"lib_2 ioapi/include_files;\" >> $Cfile\n echo >> $Cfile\n echo \"lib_3 netcdf/include;\" >> $Cfile\n echo >> $Cfile\n echo \"lib_4 ioapi/lib;\" >> $Cfile\n echo >> $Cfile\n echo \"lib_5 netcdff/include;\" >> $Cfile\n echo \n set text = \"$quote$CPP_FLAGS$quote;\"\n echo \"cpp_flags $text\" >> $Cfile\n echo >> $Cfile\n echo \"f_compiler $FC;\" >> $Cfile\n echo >> $Cfile\n echo \"fstd $quote$FSTD$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"dbg $quote$DBG$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"f_flags $quote$F_FLAGS$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"f90_flags $quote$F90_FLAGS$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"link_flags $quote$LINK_FLAGS$quote;\" >> $Cfile\n echo >> $Cfile\n#echo \"libraries $quote$LIBS$quote;\" >> $Cfile\n echo \"ioapi $quote$LIB2$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"netcdf $quote$netcdf_lib$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"netcdff $quote$netcdff_lib$quote;\" >> $Cfile\n \n set text = \"combine\"\n echo \"// options are\" $text >> $Cfile\n echo \"Module ${ModDriver};\" >> $Cfile\n echo >> $Cfile\n\n#============================================================================================\n#> Use BLDMAKE to create the Makefile and model executable if desired\n#============================================================================================\n\n unalias mv rm\n\n#> Recompile BLDMAKE from source if requested or if it does not exist\n if ( $?CompileBLDMAKE || ! -f $BLDER ) then\n cd ${CMAQ_REPO}/UTIL/bldmake/scripts\n ./bldit_bldmake.csh\n endif\n \n#> Relocate to the BLD_* directory\n cd $Bld \n\n#> Set serial options for BLDMAKE execution\n set Blder = \"$BLDER -serial -verbose\"\n\n#> Run BLDMAKE Utility\n if ( $?MakeFileOnly ) then\n #> Just create the Makefile\n if ( $?CopySrc ) then\n $Blder -makefo $Cfile\n else\n $Blder -makefo -git_local $Cfile \n endif\n else \n # Also compile the model\n if ( $?CopySrc ) then\n $Blder $Cfile\n else\n $Blder -git_local $Cfile\n endif\n endif\n\n#> Save Makefile with Compiler-dependent name and create symbolic\n#> link back to generic name.\n mv Makefile Makefile.$compilerString\n if ( -e Makefile.$compilerString && -e Makefile ) rm Makefile\n ln -s Makefile.$compilerString Makefile\n\n#> Check for error during makefile generation\n if ( $status != 0 ) then\n echo \" *** failure in $Blder ***\"\n exit 1\n endif\n\n exit\n" }, { "path": "POST/combine/scripts/run_combine.csh", "content": "#! /bin/csh -f\n\n# ====================== COMBINE_v5.5.X Run Script =================== \n# Usage: run_combine.csh >&! combine.log & \n#\n# To report problems or request help with this script/program: \n# http://www.epa.gov/cmaq (EPA CMAQ Website)\n# http://www.cmascenter.org (CMAS Website)\n# =================================================================== \n\n# ==================================================================\n#> Runtime Environment Options\n# ==================================================================\n\n#> Choose compiler and set up CMAQ environment with correct\n#> libraries using config.cmaq. Options: intel | gcc | pgi\n setenv compiler intel\n\n #> Source the config.cmaq file to set the build environment\n cd ../../..\n source ./config_cmaq.csh\n \n#> Set General Parameters for Configuring the Simulation\n set VRSN = v55 #> Code Version\n set PROC = mpi #> serial or mpi\n set MECH = cb6r5_ae7_aq #> Mechanism ID\n set APPL = Bench_2016_12SE1 #> Application Name (e.g. Gridname)\n \n#> Define RUNID as any combination of parameters above or others. By default,\n#> this information will be collected into this one string, $RUNID, for easy\n#> referencing in output binaries and log files as well as in other scripts.\n set RUNID = ${VRSN}_${compilerString}_${APPL}\n\n#> Set the build directory if this was not set above \n#> (this is where the CMAQ executable is located by default).\n if ( ! $?BINDIR ) then\n set BINDIR = $CMAQ_HOME/POST/combine/scripts/BLD_combine_${VRSN}_${compilerString}\n endif\n\n#> Set the name of the executable.\n set EXEC = combine_${VRSN}.exe\n\n#> Set location of CMAQ repo. This will be used to point to the correct species definition files.\n set REPO_HOME = ${CMAQ_REPO}\n\n#> Set working, input and output directories\n set METDIR = ${CMAQ_DATA}/$APPL/met/mcip #> Met Output Directory\n set CCTMOUTDIR = ${CMAQ_DATA}/output_CCTM_${RUNID} #> CCTM Output Directory\n set POSTDIR = ${CMAQ_DATA}/POST #> Location where combine file will be written\n\n if ( ! -e $POSTDIR ) then\n\t mkdir $POSTDIR\n endif\n\n\n\n# =====================================================================\n#> COMBINE Configuration Options\n#> The purpose of this example run script is to create two output files\n#> (COMBINE_ACONC and COMBINE_DEP) often used for model evaluation \n#> purposes. This is accomplished by setting up two loops, each with\n#> its own definitions of SPECIES_DEF and day-specific input files before \n#> calling the COMBINE executable. \n# =====================================================================\n\n#> Set Start and End Days for looping\n set START_DATE = \"2016-07-01\" #> beginning date (July 1, 2016)\n set END_DATE = \"2016-07-14\" #> ending date (July 14, 2016)\n \n#> Set location of species definition files for concentration and deposition species.\n setenv SPEC_CONC $CMAQ_HOME/POST/combine/scripts/spec_def_files/SpecDef_${MECH}.txt\n setenv SPEC_DEP $CMAQ_HOME/POST/combine/scripts/spec_def_files/SpecDef_Dep_${MECH}.txt\n\n#> Use GENSPEC switch to generate a new specdef file (does not generate output file).\n setenv GENSPEC N\n\n\n# =====================================================================\n#> Begin First Loop Through Simulation Days to Create COMBINE_ACONC File\n#> Set up the SPECIES_DEF, INFILEx, and OUTFILE environment variables\n#> for COMBINE_ACONC processing\n# =====================================================================\n\n#> Set the species definition file for concentration species.\n setenv SPECIES_DEF $SPEC_CONC\n \n#> Loop through all days between START_DAY and END_DAY\n set TODAYG = ${START_DATE}\n set TODAYJ = `date -ud \"${START_DATE}\" +%Y%j` #> Convert YYYY-MM-DD to YYYYJJJ\n set STOP_DAY = `date -ud \"${END_DATE}\" +%Y%j` #> Convert YYYY-MM-DD to YYYYJJJ\n\n while ($TODAYJ <= $STOP_DAY ) #>Compare dates in terms of YYYYJJJ\n \n #> Retrieve Calendar day Information\n set YYYY = `date -ud \"${TODAYG}\" +%Y`\n set YY = `date -ud \"${TODAYG}\" +%y`\n set MM = `date -ud \"${TODAYG}\" +%m`\n set DD = `date -ud \"${TODAYG}\" +%d`\n #> for files that are indexed with Julian day:\n # set YYYYJJJ = `date -ud \"${TODAYG}\" +%Y%j` \n\n #> Define name of combine output file to save hourly average concentration.\n #> A new file will be created for each month/year.\n setenv OUTFILE ${POSTDIR}/COMBINE_ACONC_${RUNID}_$YYYY$MM.nc\n\n #> Define name of input files needed for combine program.\n #> File [1]: CMAQ conc/aconc file\n #> File [2]: MCIP METCRO3D file\n #> File [3]: CMAQ AELMO file\n #> File [4]: MCIP METCRO2D file\n setenv INFILE1 $CCTMOUTDIR/CCTM_ACONC_${RUNID}_$YYYY$MM$DD.nc\n setenv INFILE2 $METDIR/METCRO3D_$YY$MM$DD.nc\n setenv INFILE3 $CCTMOUTDIR/CCTM_AELMO_${RUNID}_$YYYY$MM$DD.nc\n setenv INFILE4 $METDIR/METCRO2D_$YY$MM$DD.nc\n\n #> Executable call:\n ${BINDIR}/${EXEC}\n\n #> Increment both Gregorian and Julian Days\n set TODAYG = `date -ud \"${TODAYG}+1days\" +%Y-%m-%d` #> Add a day for tomorrow\n set TODAYJ = `date -ud \"${TODAYG}\" +%Y%j` #> Convert YYYY-MM-DD to YYYYJJJ\n\n end #Loop to the next Simulation Day\n\n\n# =====================================================================\n#> Begin Second Loop Through Simulation Days to Create COMBINE_DEP File\n#> Set up the SPECIES_DEF, INFILEx, and OUTFILE environment variables\n#> for COMBINE_DEP processing\n# =====================================================================\n\n#> Set the species definition file for concentration species.\n setenv SPECIES_DEF $SPEC_DEP\n \n#> Loop through all days between START_DAY and END_DAY\n set TODAYG = ${START_DATE}\n set TODAYJ = `date -ud \"${START_DATE}\" +%Y%j` #> Convert YYYY-MM-DD to YYYYJJJ\n set STOP_DAY = `date -ud \"${END_DATE}\" +%Y%j` #> Convert YYYY-MM-DD to YYYYJJJ\n\n while ($TODAYJ <= $STOP_DAY ) #>Compare dates in terms of YYYYJJJ\n \n #> Retrieve Calendar day Information\n set YYYY = `date -ud \"${TODAYG}\" +%Y`\n set YY = `date -ud \"${TODAYG}\" +%y`\n set MM = `date -ud \"${TODAYG}\" +%m`\n set DD = `date -ud \"${TODAYG}\" +%d`\n #> for files that are indexed with Julian day:\n # set YYYYJJJ = `date -ud \"${TODAYG}\" +%Y%j` \n\n #> Define name of combine output file to save hourly total deposition.\n #> A new file will be created for each month/year.\n setenv OUTFILE ${POSTDIR}/COMBINE_DEP_${RUNID}_$YYYY$MM\n\n #> Define name of input files needed for combine program.\n #> File [1]: CMAQ DRYDEP file\n #> File [2]: CMAQ WETDEP file\n #> File [3]: MCIP METCRO2D\n #> File [4]: {empty}\n setenv INFILE1 $CCTMOUTDIR/CCTM_DRYDEP_${RUNID}_$YYYY$MM$DD.nc\n setenv INFILE2 $CCTMOUTDIR/CCTM_WETDEP1_${RUNID}_$YYYY$MM$DD.nc\n setenv INFILE3 $METDIR/METCRO2D_$YY$MM$DD.nc\n setenv INFILE4\n\n #> Executable call:\n ${BINDIR}/${EXEC}\n\n set progstat = ${status}\n if ( ${progstat} ) then\n echo \"ERROR ${progstat} in $BINDIR/$EXEC\"\n exit( ${progstat} )\n endif\n\n #> Increment both Gregorian and Julian Days\n set TODAYG = `date -ud \"${TODAYG}+1days\" +%Y-%m-%d` #> Add a day for tomorrow\n set TODAYJ = `date -ud \"${TODAYG}\" +%Y%j` #> Convert YYYY-MM-DD to YYYYJJJ\n\n end #Loop to the next Simulation Day\n\n \n exit()\n" }, { "path": "POST/combine/scripts/spec_def_files/linkem", "content": "#!/bin/csh -f\n#> symlink the v5.2.1 Species Definition files\n\n set CMD = '/bin/ln -s'\n set src = ../../../../CCTM/src/MECHS\n\n $CMD $src/saprc07tic_ae6invPOA_aq/SpecDef_Dep_saprc07tic_ae6invPOA_aq.txt\n $CMD $src/saprc07tic_ae6invPOA_aq/SpecDef_saprc07tic_ae6invPOA_aq.txt\n $CMD $src/cb05e51_ae6nvPOA_aq/SpecDef_cb05e51_ae6nvPOA_aq.txt\n $CMD $src/cb05e51_ae6nvPOA_aq/SpecDef_Dep_cb05e51_ae6nvPOA_aq.txt\n $CMD $src/cb05e51_ae6_aq/SpecDef_cb05e51_ae6_aq.txt\n $CMD $src/cb05e51_ae6_aq/SpecDef_Dep_cb05e51_ae6_aq.txt\n $CMD $src/saprc07tic_ae6i_aqkmti/SpecDef_Dep_saprc07tic_ae6i_aqkmti.txt\n $CMD $src/saprc07tic_ae6i_aqkmti/SpecDef_saprc07tic_ae6i_aqkmti.txt\n $CMD $src/racm2_ae6_aq/SpecDef_racm2_ae6_aq.txt\n $CMD $src/racm2_ae6_aq/SpecDef_Dep_racm2_ae6_aq.txt\n $CMD $src/saprc07tc_ae6nvPOA_aq/SpecDef_saprc07tc_ae6nvPOA_aq.txt\n $CMD $src/saprc07tc_ae6nvPOA_aq/SpecDef_Dep_saprc07tc_ae6nvPOA_aq.txt\n $CMD $src/cb05tucl_ae6_aq/SpecDef_cb05tucl_ae6_aq.txt\n $CMD $src/cb05tucl_ae6_aq/SpecDef_Dep_cb05tucl_ae6_aq.txt\n $CMD $src/cb6r3_ae6_aq/SpecDef_cb6r3_ae6_aq.txt\n $CMD $src/cb6r3_ae6_aq/SpecDef_Dep_cb6r3_ae6_aq.txt\n $CMD $src/cb6r3_ae7_aq/SpecDef_cb6r3_ae7_aq.txt\n $CMD $src/cb6r3_ae7_aq/SpecDef_Dep_cb6r3_ae7_aq.txt\n $CMD $src/cb6r3_ae6nvPOA_aq/SpecDef_Dep_cb6r3_ae6nvPOA_aq.txt\n $CMD $src/cb6r3_ae6nvPOA_aq/SpecDef_cb6r3_ae6nvPOA_aq.txt\n $CMD $src/cb05eh51_ae6_aq/SpecDef_Dep_cb05eh51_ae6_aq.txt\n $CMD $src/cb05eh51_ae6_aq/SpecDef_cb05eh51_ae6_aq.txt\n $CMD $src/saprc07tc_ae6_aq/SpecDef_saprc07tc_ae6_aq.txt\n $CMD $src/saprc07tc_ae6_aq/SpecDef_Dep_saprc07tc_ae6_aq.txt\n $CMD $src/saprc07tb_ae6_aq/SpecDef_Dep_saprc07tb_ae6_aq.txt\n $CMD $src/saprc07tb_ae6_aq/SpecDef_saprc07tb_ae6_aq.txt\n $CMD $src/saprc07tic_ae6i_aq/SpecDef_saprc07tic_ae6i_aq.txt\n $CMD $src/saprc07tic_ae6i_aq/SpecDef_Dep_saprc07tic_ae6i_aq.txt\n $CMD $src/cb05mp51_ae6_aq/SpecDef_Dep_cb05mp51_ae6_aq.txt\n $CMD $src/cb05mp51_ae6_aq/SpecDef_cb05mp51_ae6_aq.txt\n" }, { "path": "POST/combine/src/combine.F", "content": "!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/work/rep/TOOLS/src/combine/combine.F,v 1.1.1.1 2005/07/27 12:55:20 sjr Exp $\n \n PROGRAM COMBINE\nC***********************************************************************\nC This program combines variables from a set of IOAPI input files\nC to an output file. wrfout files are also accepted as input files\nC as long as an IOAPI file is specified as the first input file.\nC If using wrfout files, only variables using the \"west_east\", \nC \"south_north\", and (optionally) \"bottom_top\" dimensions can\nC be used. \nC The file assigned to environmental variable\nC SPECIES_DEF defines the new species variables and how they\nC are constructed.\nC\nC Environmental variables used\nC SPECIES_DEF --> Species definition file defining the new\nC variables of the output file\nC INFILE1 --> input file number 1, (max of 9)\nC OUTFILE --> IOAPI output file name\nC GENSPEC --> Indicates to generate a species definition file\nC from INFILE1 \nC\nC record type descriptions in SPECIES_DEF file\nC / records are comment lines\nC # records can be used to define parameters\nC #start YYYYDDD HHMMSS (default is start of INFILE1)\nC #end YYYYDDD HHMMSS (default is end of dataset)\nC #layer KLAY (default is all layers)\nC\nC All other records are read as variable definition records \nC \nC format of variable definition records (comma seperated fields) \nC field 1: variable name (maximun of 16 characters)\nC field 2: units (maximum of 16 characters)\nC field 3: formular expression (maximun of 512 characters)\nC\nC\nC Note: Formular expressions supports operators +-*/ and are\nC evaluated from left to right using precedence order of */+-. \nC Order of evaluation can be forced by use of parentheses.\nC When part of an experssion is enclosed in parentheses, that\nC part is evaluated first. Variables from input file are\nC defined by their name followed by it's file number enclosed\nC in brackets.\nC\nC \nC***********************************************************************\n\n USE SPEC_DEF\n USE M3FILES\n USE EVALUATOR\n\n USE M3UTILIO\n\n IMPLICIT NONE \n\n\nC...External functions\n LOGICAL FLUSH3 \n\nC...Local Variables\n Integer status\n Character*(256) specFile, csphere\n Integer logdev, istat\n Integer n, isize, isph\n Logical kswit\n\n Real, Allocatable :: buffer(:)\n\n Interface \n Subroutine getFld( record, delimiter, nth, del, field, exception )\n CHARACTER*(*), Intent( In ) :: record\n CHARACTER*(*), Intent( In ) :: delimiter\n CHARACTER, Intent( Out ) :: del\n Integer, Intent( In ) :: nth\n CHARACTER*(*), Intent( Out ) :: field\n CHARACTER*(*), Optional, Intent( In ) :: exception\n End Subroutine getFld\n INTEGER FUNCTION getFldCount(record, delimiter, exception) Result(nfields)\n CHARACTER*(*), Intent( In ) :: record\n CHARACTER*(*), Intent( In ) :: delimiter\n CHARACTER*(*), Optional, Intent( In ) :: exception\n End FUNCTION getFldCount\n Subroutine LeftTrim( STRING )\n CHARACTER*(*), INTENT( INOUT ) :: STRING\n End Subroutine LeftTrim\n Subroutine RightTrim( STRING )\n CHARACTER*(*), INTENT( INOUT ) :: STRING\n End Subroutine RightTrim\n SUBROUTINE UCASE ( STR )\n CHARACTER, INTENT( INOUT ) :: STR*( * )\n END SUBROUTINE UCASE\n Subroutine replace( string, old, new )\n Character*(*), Intent( InOut ) :: string\n Character*(1), Intent( In ) :: old \n Character*(1), Intent( In ) :: new \n End Subroutine replace \n SUBROUTINE Remove_WhiteSpaces (text)\n CHARACTER*(*), Intent( InOut ) :: text\n END SUBROUTINE Remove_WhiteSpaces\n End Interface\n\n\nC...start IOAPI\n LOGDEV = INIT3()\n WRITE( *, '('' API Started'')' )\n\nC...check if IOAPI_ISPH is set, if not, set to 20\n \n call ENVSTR( 'IOAPI_ISPH','IOAPI_ISPH spheroid setting', '20', csphere, istat)\n if( istat .ne. 0 ) then\n if ( .not. SETENVVAR ('IOAPI_ISPH',csphere)) then !WRF-ARW sphere\n Write(*,'(''*WARNING* SETENVVAR for IOAPI_ISPH failed, using default'')')\n else\n Write(*,'(''*WARNING* IOAPI_ISPH not set in script, using 20 (WRF-ARW sphere)'')')\n endif\n endif\n\nC...open FILES\n Call OPEN_FILES()\n if( N_M3FILES.eq.0 ) then\n Write(*,'(''**ERROR** Cannot open all input files'')')\n Stop\n endif\n\nC...get environment variables for input file names \n Call NAMEVAL( 'SPECIES_DEF', specFile )\n\nC...check GENSPEC to generate new species definition file\n if( ENVYN('GENSPEC', 'Generate new species definition file',\n & .FALSE., status) ) then\n Call GENSPEC( specFile )\n Stop\n Endif\n\n\nC...read and load species definition file\n Call readSpec( specFile, status )\n if( status.ne.0 ) then\n Write(*,'(''**ERROR** Cannot open or read SPECIES_DEF file:'',a)')\n & TRIM(specFile)\n Stop\n endif\n\nC...check ALLOW_BADVALUES in output \n Allow_BadValues = ENVYN('ALLOW_BADVALUES', 'Allow Calculations to have bad results but set to -99999.9',\n & .FALSE., istat )\n \nC... build description of output file\n TSTEP3D = TSTEP\n SDATE3D = startDate\n STIME3D = startTime\n NVARS3D = numSpec\n if( Klayer .gt. 0) then\n NLAYS3D = 1\n NLAYS = 1\n endif\n\n do n = 1, numSpec\n VNAME3D( n ) = specName( n )\n UNITS3D( n ) = specUnits( n )\n VDESC3D( n ) = specDesc( n )\n VTYPE3D( n ) = M3REAL\n enddo\n\nC...try to create new file. if error, open file as old \n if( .NOT. OPEN3( 'OUTFILE', 3, 'COMBINE' ) ) THEN\n if( .NOT. OPEN3( 'OUTFILE', 2, 'COMBINE' ) ) THEN\n WRITE( *, '(''**ERROR** while openning OUTFILE'')' )\n KSWIT = SHUT3()\n stop \n endif\n endif \n\nC...fill Description Common Block\n if( .NOT. DESC3( 'OUTFILE' ) ) THEN\n WRITE( *, '(''**ERROR** WHILE RUNNING DESC3 ON OUTFILE'')' )\n KSWIT = SHUT3()\n stop \n endif\n\nC...compare grid values with input file\n KSWIT = .true.\n IF ( NROWS .NE. NROWS3D ) KSWIT = .false.\n IF ( NCOLS .NE. NCOLS3D ) KSWIT = .false.\n IF ( NLAYS .NE. NLAYS3D ) KSWIT = .false.\n IF ( TSTEP .NE. TSTEP3D ) KSWIT = .false.\n IF ( XCELL .NE. XCELL3D ) KSWIT = .false.\n IF ( YCELL .NE. YCELL3D ) KSWIT = .false.\n!!! IF ( ABS(XORIG-XORIG3D) .gt. 0.1 ) KSWIT = .false.\n!!! IF ( ABS(YORIG-YORIG3D) .gt. 0.1 ) KSWIT = .false.\n IF ( DABS(XORIG-XORIG3D) > smallnum ) KSWIT = .false.\n IF ( DABS(YORIG-YORIG3D) > smallnum ) KSWIT = .false.\n\n if( .NOT.KSWIT ) then\n WRITE( *, '(''**ERROR** Inconsistenece file parameters'',\n & '' for OUTFILE'')' )\n write(*,'(''NROWS='',2i8)') NROWS, NROWS3D\n write(*,'(''NCOLS='',2i8)') NCOLS, NCOLS3D\n write(*,'(''NLAYS='',2i8)') NLAYS, NLAYS3D\n write(*,'(''TSTEP='',2i8)') TSTEP, TSTEP3D\n write(*,'(''XCELL='',2f16.2)') XCELL, XCELL3D\n write(*,'(''YCELL='',2f16.2)') YCELL, YCELL3D\n write(*,'(''XORIG='',2f16.2)') XORIG, XORIG3D\n write(*,'(''YORIG='',2f16.2)') YORIG, YORIG3D\n KSWIT = SHUT3()\n stop \n endif\n\nc...allocate memory for buffer array\n isize = NCOLS3D * NROWS3D * NLAYS3D\n Allocate( buffer( isize ), stat=istat )\n if( istat.ne.0 ) then\n write(*,'(''**ERROR** Cannot allocate array of size'',i12)') isize\n stop\n endif\n\nC...compare startDate with endDate\n if( SECSDIFF(startDate, startTime, endDate, endTime) .lt. 0 ) then\n write(*,'(/''**ERROR** Starting Date > Ending Date, No records generated'',/)')\n KSWIT = SHUT3()\n WRITE(*,'('' API Shut down'')')\n Stop\n endif\n\n Write(*,'(/,''Processing starting at:'',2i8)') startDate, startTime\n Write(*,'(13x,''ending at:'',2i8,/)') endDate, endTime\n\nC...start time loop \n Do\n write(*, '('' Copying Variables at time:'',i7,'':'',i6)' )\n & startDate, startTime\n\n DO n = 1, numSpec\n\n Call evaluate(specName(n),specExpression(n), startDate, startTime,\n & Klayer, isize, buffer)\n\n ! write species record to outfile\n if(.NOT.WRITE3('OUTFILE', specName(n), startDate,\n & startTime, buffer) ) THEN\n write( *, '('' **Error** Cannot write to OUTFILE at'',2i8)')\n & startDate, startTime\n KSWIT = SHUT3()\n stop \n endif\n\n KSWIT = flush3('OUTFILE')\n enddo\n\n ! if no time step, exit after one step\n if( TSTEP.le.0 ) exit\n\n ! advance to next step\n call NEXTIME ( startDate, startTime, TSTEP )\n if( SECSDIFF(startDate, startTime, endDate, endTime) .lt. 0 )\n & exit\n\n enddo \n\nC... shut down netcdf\n KSWIT = SHUT3()\n WRITE(*,'('' API Shut down'')')\n STOP\n END\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc subroutine to generate new SPECFILE from ioapi file\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n Subroutine genSpec( SpecFile )\n \n USE M3UTILIO\n USE M3FILES\n \n IMPLICIT NONE\n\nC... arguments\n Character*(*) SpecFile\n\nC... local variables\n INTEGER STATUS\n INTEGER lfn\n INTEGER I\n LOGICAL KSWIT\n CHARACTER*1 REPLACE\n CHARACTER*16 FNAME\n\nC...open variable definition file\n lfn = 20\n\n OPEN( UNIT=lfn, FILE=SpecFile, STATUS='NEW', IOSTAT=status )\n If(status.ne.0) then\n\n Write(*,'(/''SPECDEF file: ['',a,\n & ''] cannot be opened as \"NEW\"'')') TRIM(SpecFile)\n Write(*,'(''Do you want to replace existing? (Y/N) '',$)')\n Read(*,'(a)') replace\n if( replace.ne.'Y' .and. replace.ne.'y' ) return\n\n OPEN( UNIT=lfn, FILE=SpecFile, IOSTAT=status )\n if( status.ne.0 ) then\n Write(*,'(/''**ERROR** cannot open SPECDEF file: ['',a,\n & '']'')') TRIM(SpecFile)\n return\n endif\n endif\n\nC...fill Description Common Block\n IF ( .NOT. getDESC( 1 ) ) THEN\n WRITE( *, '(''**Error** While running getDESC on '',A)' ) 'INFILE1'\n GO TO 999\n END IF\n\n write(lfn,'(''/#start YYYYDDD HHMMSS'')')\n write(lfn,'(''/#end YYYYDDD HHMMSS'')')\n write(lfn,'(''/#layer KLAY (default is all layers)'')')\n write(lfn,'(''/'')')\n write(lfn,'(''/new species, units, expression, description'')')\n\n DO I = 1, NVARS3D\n Write(lfn,'(/a16,'','',a16,'','',a,''[1]'','', '',a)')\n & VNAME3D(I), UNITS3D(I), TRIM(VNAME3D(I)),TRIM(VDESC3D(I))\n END DO\n\n\n Write(*,'(/''SpecDef file: ['',a,''] Generated''/)')TRIM(SpecFile)\n\nC... shut down netcdf and return\n999 CONTINUE\n CLOSE( unit=lfn )\n KSWIT = SHUT3()\n Return\n END Subroutine genSpec\n\n\n\n\n\n\n" }, { "path": "POST/combine/src/module_evaluator.F", "content": "!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/work/rep/TOOLS/src/combine/module_evaluator.F,v 1.1.1.1 2005/07/27 12:55:20 sjr Exp $\n\nC***********************************************************************\nC\nC MODULE: evaluates species expressions\nC \nC***********************************************************************\n MODULE evaluator\n \n Public :: evaluate\n \n Logical, Public :: Allow_BadValues = .False.\n \n Private\n\n Real, Private, Allocatable :: parseBuffer(:,:)\n Integer, Parameter, Private :: EXP_LEN = 1024 \n\n Integer, Private :: idate\n Integer, Private :: itime \n Integer, Private :: ilayer\n Integer, Private :: isize\n \n Logical, Allocatable, Private :: eflag( : )\n\n Character( 256 ), Private :: emsg\n Character*(EXP_LEN), Private :: formula\n Character( 16 ), Private :: out_species\n\n Interface \n Subroutine getFld( record, delimiter, nth, del, field, exception )\n CHARACTER*(*), Intent( In ) :: record\n CHARACTER*(*), Intent( In ) :: delimiter\n CHARACTER, Intent( Out ) :: del\n Integer, Intent( In ) :: nth\n CHARACTER*(*), Intent( Out ) :: field\n CHARACTER*(*), Optional, Intent( In ) :: exception\n End Subroutine getFld\n INTEGER FUNCTION getFldCount(record, delimiter, exception) Result(nfields)\n CHARACTER*(*), Intent( In ) :: record\n CHARACTER*(*), Intent( In ) :: delimiter\n CHARACTER*(*), Optional, Intent( In ) :: exception\n End FUNCTION getFldCount\n Subroutine LeftTrim( STRING )\n CHARACTER*(*), INTENT( INOUT ) :: STRING\n End Subroutine LeftTrim\n Subroutine RightTrim( STRING )\n CHARACTER*(*), INTENT( INOUT ) :: STRING\n End Subroutine RightTrim\n SUBROUTINE UCASE ( STR )\n CHARACTER, INTENT( INOUT ) :: STR*( * )\n END SUBROUTINE UCASE\n Subroutine replace( string, old, new )\n Character*(*), Intent( InOut ) :: string\n Character*(1), Intent( In ) :: old \n Character*(1), Intent( In ) :: new \n End Subroutine replace \n SUBROUTINE Remove_WhiteSpaces (text)\n CHARACTER*(*), Intent( InOut ) :: text\n END SUBROUTINE Remove_WhiteSpaces\n End Interface\n\n\n CONTAINS\n\n\nC subroutine to evaluate species expression at date\nC returns buffer array values\n Subroutine evaluate(species,expression,jdate,jtime,jlayer,jsize,buffer)\n\n IMPLICIT NONE\n\n ! arguments\n Character*(*) species\n Character*(*) expression\n Integer jdate, jtime\n Integer jlayer\n Integer jsize\n Real buffer(jsize)\n\n ! local variables\n Character*(EXP_LEN) expresscp\n Character*(EXP_LEN) express\n Integer nparen\n Integer depth, maxdepth\n Integer i, n, pos1, pos2\n Character*(5) nstring\n Logical KSWIT\n Logical SHUT3\n\n ! set module variables\n idate = jdate\n itime = jtime\n ilayer = jlayer\n isize = jsize\n \n ! copy output species name\n out_species = Trim( Adjustl(species) )\n ! make copy of expression to modify\n formula = expression\n expresscp = expression\n express = expression\n Call Remove_WhiteSpaces(expresscp)\n! print*,Trim(expresscp),' ',Trim(expression)\n! expresscp = expression\n\n ! check for scientific notation (E+,E-,e+,e-) and replace with 10.0^\n call rmSciNot( expresscp )\n\n ! replace '+' characters inside [] brackets with '!' characters\n Call replace( expresscp, '+', '!' )\n\n ! replace '-' characters inside [] brackets with '#' characters\n Call replace( expresscp, '-', '#' )\n\n ! find number of parentheses and depth\n nparen = 0 \n depth = 0\n maxdepth = 0\n Do i=1,len_trim(expresscp)\n if( expresscp(i:i).eq.'(' ) then\n nparen = nparen + 1\n depth = depth + 1\n endif\n\n if( expresscp(i:i).eq.')' ) then\n depth = depth - 1\n endif\n \n if( depth.gt.maxdepth ) maxdepth = depth\n enddo\n\n ! check for unbalanced parentheses\n if( depth.ne.0 ) then\n write(*,'(/'' unbalanced parentheses in expression''/a)') trim(expresscp)\n stop\n endif\n\n ! allocate memory for parseBuffer if needed\n if( nparen.gt.0 ) then\n if( Allocated(parseBuffer) .and.\n & SIZE(parseBuffer,DIM=2).lt.nparen ) then\n deAllocate(parseBuffer)\n endif\n\n if( .NOT.Allocated(parseBuffer) ) then\n Allocate( parseBuffer(isize,nparen) )\n endif\n\n parseBuffer = 0.0\n endif\n\n ! find depth of parentheses\n depth = maxDepth \n Do n=1,nparen\n\n ! build buffer number as string\n write(nstring, '(i5)') n\n Call leftTrim(nstring)\n\n ! try to find parentheses at depth\n Call findDepth( expresscp, depth, pos1, pos2 )\n \n if( pos1.eq.0 ) then\n depth = depth - 1\n Call findDepth( expresscp, depth, pos1, pos2 )\n endif\n\n ! if parentheses found, evaluate sub expression\n if( pos1.gt.0 ) then\n\n ! extract expression within parentheses and\n ! evaluate to parsebuffer(1:isize,n)\n express = expresscp(pos1+1:pos2-1)\n call eval1(express, parsebuffer(1:isize,n) )\n\n ! replace expression within parentheses with \"buffer[n]\"\n express = ''\n if( pos1.gt.1 ) express = expresscp(1:pos1-1)\n express = TRIM(express) // 'buffer[' // TRIM(nstring) //\n & ']' // TRIM(expresscp(pos2+1:))\n expresscp = express \n endif \n enddo\n\n call eval1(expresscp, buffer)\n \n end Subroutine evaluate\n\n\nC subroutine to replace scientific notation strings\n Subroutine rmSciNot(expression)\n\n IMPLICIT NONE\n\n Character*(*) expression\n\n Character*(2) estring(4)\n Character*(7) pstring(4)\n\n Integer n, i, pos, pos1, pos2\n\n Data estring/'E+','e+','E-','e-'/\n Data pstring/'*(10.0^', '*(10.0^', '/(10.0^', '/(10.0^'/\n\n do n=1,4\n do while( index(expression, estring(n)) .gt. 0 )\n pos = index(expression, estring(n))\n\n ! search for start of number starting at pos-1 and working back\n pos1 = pos-1\n do i=pos-1,1,-1\n if( index('0123456789.',expression(i:i)) .eq. 0 ) then\n EXIT\n endif\n pos1 = i\n enddo\n\n ! search for end of number starting at pos+2\n do i=pos+2,pos+12\n if( index('0123456789.',expression(i:i)) .eq. 0 ) then\n pos2=i\n EXIT\n endif\n enddo\n\n if( pos1 .eq. 1 ) then\n expression = '(' // expression(1:pos-1) // pstring(n) // expression(pos+2:pos2-1)\n & // '))' // expression(pos2:)\n endif\n\n if( pos1 .gt. 1 ) then\n expression = expression(1:pos1-1) // '(' // expression(pos1:pos-1) //\n & pstring(n) // expression(pos+2:pos2-1) // '))' // expression(pos2:)\n endif\n\n enddo\n enddo\n\n return\n end Subroutine rmSciNot\n\n\n\nC subroutine to find location of parentheses depth\n Subroutine findDepth(expression, depth, pos1, pos2)\n\n IMPLICIT NONE\n\n Character*(*) expression\n Integer depth, pos1, pos2\n\n Integer i, dep\n\n pos1 = 0\n pos2 = 0\n dep = 0\n\n ! try to find parentheses at depth\n Do i = 1, len_trim(expression) \n if( expression(i:i).eq.'(' ) then\n dep = dep+1\n if(dep.eq.depth) pos1 = i\n endif\n\n if( expression(i:i).eq.')' ) then\n if(dep.eq.depth) then\n pos2 = i\n return\n endif\n dep = dep-1\n endif \n enddo\n\n return\n end Subroutine findDepth\n\n\nC subroutine to return buffer array value\n Subroutine getBuffer(field, buffer)\n \n USE M3UTILIO, ONLY: BADVAL3\n\n IMPLICIT NONE\n\n Character*(*), Intent( InOut ) :: field\n Real, Intent( InOut ) :: buffer(isize)\n \n Real, Parameter :: Max_Exponential = 82.8931\n \n Integer pos1, pos2, nbuf, status\n Character*(10) string\n Character*(10) func\n Logical KSWIT\n Logical SHUT3\n\n Call leftTrim(field)\n\n ! parse field to find buffer number\n pos1 = index(field, '[') \n pos2 = index(field, ']',.true.) \n\n if(pos1.le.0 .or. pos1.ge.pos2) then\n write(*,'(/''**ERROR** Invalid syntax in field: '',a)') trim(field)\n KSWIT = SHUT3()\n stop\n endif\n\n if(field(pos2+1:) .ne. ' ') then\n write(*,'(/''**ERROR** Invalid syntax in field: '',a)') trim(field)\n KSWIT = SHUT3()\n stop\n endif\n\n string = field(pos1+1:pos2-1)\n read(string,'(i10)',iostat=status) nbuf \n if(status .ne. 0) then\n write(*,'(/''**ERROR** Invalid syntax in field: '',a)') trim(field)\n KSWIT = SHUT3()\n stop\n endif\n\n buffer = parsebuffer(1:isize,nbuf) \n\n ! check for function\n pos1 = index(field, 'buffer[') \n Call UCASE(field)\n\n if( pos1.gt.1 ) then \n func = field(1:pos1-1)\n If( func.eq.'LOG' ) Then\n Where( buffer .Gt. 0.0 .And. buffer .Lt. 1.0E36 )\n buffer = LOG(buffer)\n eflag = .False.\n Else Where\n buffer = BADVAL3\n eflag = .True.\n End Where \n If( Any( eflag ) )Then\n write(emsg,99950)\"LOG\",MinVal(buffer),MaxVal(buffer)\n End If\n return\n End If\n If( func.eq.'LOG10' ) Then\n Where( buffer .Gt. 0.0 .And. buffer .Lt. 1.0E36 )\n buffer = LOG10(buffer)\n eflag = .False.\n Else Where\n buffer = BADVAL3\n eflag = .True.\n End Where \n If( Any( eflag ) )Then\n write(emsg,99950)\"LOG10\",MinVal(parsebuffer(1:isize,nbuf) ),MaxVal(parsebuffer(1:isize,nbuf) )\n End If\n return\n End If\n If( func.eq.'EXP' ) Then\n Where( buffer .gt. -Max_Exponential .And. buffer .lt. Max_Exponential )\n buffer = EXP(buffer)\n eflag = .False.\n Else Where( buffer .Le. -Max_Exponential )\n buffer = 0.0\n eflag = .False.\n Else Where\n buffer = BADVAL3\n eflag = .True.\n End Where\n If( Any( eflag ) )Then\n write(emsg,99951)\"EXP\",MaxVal(parsebuffer(1:isize,nbuf) )\n End If\n return\n End If\n If( func.eq.'SIN' ) Then\n buffer = SIN(buffer)\n return\n End If\n If( func.eq.'COS' ) Then\n buffer = COS(buffer)\n return\n End If\n If( func.eq.'TAN' ) Then\n buffer = TAN(buffer)\n return\n End If\n If( func.eq.'ASIN' ) Then\n Where( buffer .Ge. -1.0 .And. buffer .Le. 1.0 )\n buffer = ASIN(buffer)\n eflag = .False.\n Else Where\n buffer = BADVAL3\n eflag = .True.\n End Where \n If( Any( eflag ) )Then\n write(emsg,99950)\"ASIN\",MinVal(parsebuffer(1:isize,nbuf) ),MaxVal(parsebuffer(1:isize,nbuf) )\n End If\n return\n End If\n If( func.eq.'ACOS' ) Then\n Where( buffer .Ge. -1.0 .And. buffer .Le. 1.0 )\n buffer = ACOS(buffer)\n eflag = .False.\n Else Where\n buffer = BADVAL3\n eflag = .True.\n End Where \n If( Any( eflag ) )Then\n write(emsg,99950)\"ACOS\",MinVal(parsebuffer(1:isize,nbuf) ),MaxVal(parsebuffer(1:isize,nbuf) )\n End If\n return\n End If\n If( func.eq.'ATAN' ) Then\n buffer = ATAN(buffer)\n return\n End If\n If( func.eq.'SINH' ) Then\n Where( buffer .gt. -Max_Exponential .And. buffer .lt. Max_Exponential )\n buffer = SINH(buffer)\n eflag = .False.\n Else Where\n buffer = BADVAL3\n eflag = .True.\n End Where\n If( Any( eflag ) )Then\n write(emsg,99950)\"SINH\",MinVal(parsebuffer(1:isize,nbuf) ),MaxVal(parsebuffer(1:isize,nbuf) )\n End If\n return\n End If\n If( func.eq.'COSH' ) Then\n Where( buffer .gt. -Max_Exponential .And. buffer .lt. Max_Exponential )\n buffer = COSH(buffer)\n eflag = .False.\n Else Where\n buffer = BADVAL3\n eflag = .True.\n End Where\n If( Any( eflag ) )Then\n write(emsg,99950)\"SINH\",MinVal(parsebuffer(1:isize,nbuf) ),MaxVal(parsebuffer(1:isize,nbuf) )\n End If\n return\n End If\n If( func.eq.'TANH' ) Then\n Where( buffer .gt. -Max_Exponential .And. buffer .lt. Max_Exponential )\n buffer = TANH(buffer)\n eflag = .False.\n Else Where\n buffer = BADVAL3\n eflag = .True.\n End Where\n If( Any( eflag ) )Then\n write(emsg,99950)\"TANH\",MinVal(parsebuffer(1:isize,nbuf) ),MaxVal(parsebuffer(1:isize,nbuf) )\n End If\n return\n End If\n If( func.eq.'SQRT' ) Then\n Where( buffer .Ge. 0.0 )\n buffer = SQRT(buffer)\n eflag = .False.\n Else Where\n buffer = BADVAL3\n eflag = .True.\n End Where\n If( Any( eflag ) )Then\n write(emsg,99951)\"SQRT\",MinVal(parsebuffer(1:isize,nbuf) )\n End If\n return\n End If\n If( func.eq.'AINT' .Or. func.eq.'INT') Then\n buffer = AINT(buffer)\n return\n End If\n If( func.eq.'ABS' ) Then\n buffer = ABS(buffer)\n return\n End If\n\n If( func.eq.'SIGN' ) Then\n buffer = SIGN(1.0,buffer)\n return\n End If\n If( func.eq.'ERF' ) Then\n Where( buffer .gt. -Max_Exponential .And. buffer .lt. Max_Exponential )\n buffer = ERF(buffer)\n eflag = .False.\n Else Where\n buffer = BADVAL3\n eflag = .True.\n End Where\n If( Any( eflag ) )Then\n write(emsg,99950)\"ERF\",MinVal(parsebuffer(1:isize,nbuf) ),MaxVal(parsebuffer(1:isize,nbuf) )\n End If\n return\n End If\n\n write(*,'(/''**ERROR** Invalid function name: '',a)') trim(func)\n KSWIT = SHUT3()\n stop\n endif\n\n return\n\n99950 Format(\"**ERROR** evaluating \",a,\" equal to \",es16.7,\" or \",es16.7)\n99951 Format(\"**ERROR** evaluating \",a,\" equal to \",es16.7)\n\n end Subroutine getBuffer\n\n\nC subroutine to evaluate species expression (parses conditional statment if needed)\nC X = (y[1]>10) ? 10 : y[1]\nC\n Subroutine eval1(expression, buffer)\n\n USE M3UTILIO\n\n IMPLICIT NONE\n\n ! arguments\n Character*(*) expression\n Real buffer(isize)\n\n ! functions\n! Integer getFldCount\n \n ! local variables\n Logical, Allocatable :: flags(:)\n Real, Allocatable :: value1(:)\n Real, Allocatable :: value2(:)\n Character*(EXP_LEN) field, field1, field2\n Character*(EXP_LEN) emsg1, emsg2\n Character operator\n Integer nmajor\n Integer i\n Logical badopr\n Logical KSWIT\n Logical, Allocatable :: eflag1( : ), eflag2( : )\n \n Logical, Save :: FirstTime = .True.\n \n \n If( FirstTime )Then\n \n Allocate( eflag( isize ) )\n eflag(:) = .False.\n FirstTime = .False.\n \n EndIf\n\n\n ! parse major fields (?:)\n nmajor = getFldCount(expression, '?:')\n\n emsg = ' '\n eflag = .False.\n \n ! if conditional \n if( nmajor.eq.3 ) then \n Allocate( flags(isize), value1(isize), value2(isize) )\n Allocate( eflag1( isize ) )\n Allocate( eflag2( isize ) )\n badopr = .false.\n\n call getFld( expression, '?:', 1, operator, field ) \n if(operator.ne.'?') badopr = .true.\n call eval1b( field, flags)\n\n eflag = .False.\n emsg = ''\n call getFld( expression, '?:', 2, operator, field1 ) \n if(operator.ne.'?') badopr = .true.\n call eval2( field1, value1)\n eflag1 = eflag\n emsg1 = emsg\n\n eflag = .False.\n emsg = ''\n call getFld( expression, '?:', 3, operator, field2 ) \n if(operator.ne.':') badopr = .true.\n call eval2( field2, value2)\n eflag2 = eflag\n emsg2 = emsg\n eflag = .False.\n\n if( badopr ) then\n Write(*,'(/''**Error** Syntax error encountered in conditional expression in: '',a)') trim(formula)\n stop\n End if\n\n ! set buffer values \n do i=1,isize\n If( flags(i) ) Then\n buffer(i) = value1(i)\n eflag(i) = eflag1(i)\n field = field1\n Else\n buffer(i) = value2(i)\n eflag(i) = eflag2(i)\n field = field2\n End If \n End Do \n \n\n If( Any( eflag ) ) then\n Write(*,'(//a)')\"Problem evaluating: \"\n & // Trim( formula )\n If( Any( eflag .And. eflag1 ) )Then\n Write(*,'(a//)')Trim(emsg1)\n endif\n If( Any( eflag .And. eflag2 ) )Then\n Write(*,'(a//)')Trim(emsg2)\n endif\n If( .Not. Allow_BadValues )Then\n KSWIT = SHUT3()\n STOP\n End IF\n End IF\n\n Deallocate (flags, value1, value2)\n Deallocate (eflag1,eflag2)\n return\n End if ! conditional\n\n ! if no conditional\n if( nmajor.eq.1 ) then\n call eval2( trim(expression), buffer )\n If( Any( eflag ) ) then\n Write(*,'(//a)')\"Problem evaluating: \" \n & // Trim( formula )\n Write(*,'(a//)')Trim(emsg)\n If( .Not. Allow_BadValues )Then\n KSWIT = SHUT3()\n STOP\n End IF \n endif\n return\n endif\n\n ! syntax error\n Write(*,'(/''**Error** Syntax error encountered at: '',a)') trim(formula)\n stop \n end Subroutine eval1\n\n\nC subroutine to evaluate condition expression (called from eval1) \n Subroutine eval1b(expression, flags)\n\n USE M3FILES\n\n IMPLICIT NONE\n\n ! arguments\n Character*(*) expression\n Logical flags(isize)\n\n ! functions\n! Integer getFldCount\n \n ! local variables\n Real, Allocatable :: value1(:)\n Real, Allocatable :: value2(:)\n Character*(EXP_LEN) field\n Character operator\n Integer nflds\n Integer i\n Logical KSWIT\n Logical SHUT3\n\n\n ! verify that expression contains a parse major fields (<=>)\n nflds = getFldCount(expression, '<=>')\n if( nflds.eq.0 ) then\n Write(*,'(/''**Error** Syntax error encountered in conditional: '',a)') trim(expression)\n stop\n endif\n\n ! parse conditional expression\n Allocate( value1(isize), value2(isize) )\n\n ! determine conditional operator is <=\n if( index(expression,'<=').gt.0 ) then\n call getFld( expression, '<=', 1, operator, field ) \n call eval2( field, value1)\n If( Any( eflag ) )Then\n Write(*,'(//a)')\"Problem evaluating: \" \n & // Trim( formula )\n Write(*,*)Trim(emsg)\n KSWIT = SHUT3()\n STOP\n endif\n call getFld( expression, '<=', 3, operator, field ) \n call eval2( field, value2)\n If( Any( eflag ) )Then\n Write(*,'(//a)')\"Problem evaluating: \" \n & // Trim( formula )\n Write(*,*)Trim(emsg)\n KSWIT = SHUT3()\n STOP\n endif\n flags = ( value1 .le. value2 )\n Deallocate (value1, value2)\n return\n endif\n\n ! determine conditional operator is >=\n if( index(expression,'>=').gt.0 ) then\n call getFld( expression, '>=', 1, operator, field ) \n call eval2( field, value1)\n If( Any( eflag ) )Then\n Write(*,'(//a)')\"Problem evaluating: \" \n & // Trim( formula )\n Write(*,*)Trim(emsg)\n KSWIT = SHUT3()\n STOP\n endif\n call getFld( expression, '>=', 3, operator, field ) \n call eval2( field, value2)\n If( Any( eflag ) )Then\n Write(*,'(//a)')\"Problem evaluating: \" \n & // Trim( formula )\n Write(*,*)Trim(emsg)\n KSWIT = SHUT3()\n STOP\n endif\n flags = ( value1 .ge. value2 )\n Deallocate (value1, value2)\n return\n endif \n\n ! determine conditional operator is >\n if( index(expression,'>').gt.0 ) then\n call getFld( expression, '>', 1, operator, field ) \n call eval2( field, value1)\n If( Any( eflag ) )Then\n Write(*,'(//a)')\"Problem evaluating: \" \n & // Trim( formula )\n Write(*,*)Trim(emsg)\n KSWIT = SHUT3()\n STOP\n endif\n call getFld( expression, '>', 2, operator, field ) \n call eval2( field, value2)\n If( Any( eflag ) ) then\n Write(*,'(//a)')\"Problem evaluating:\" \n & // Trim( formula )\n Write(*,*)Trim(emsg)\n KSWIT = SHUT3()\n STOP\n endif\n flags = ( value1 .gt. value2 )\n Deallocate (value1, value2)\n return\n endif \n\n ! determine conditional operator is <\n if( index(expression,'<').gt.0 ) then\n call getFld( expression, '<', 1, operator, field ) \n call eval2( field, value1)\n If( Any( eflag ) )Then\n Write(*,'(/''**Error** Syntax error encountered: '',a)') trim(expression)\n Write(*,'(//a)')\"Problem evaluating: \" \n & // Trim( formula )\n KSWIT = SHUT3()\n STOP\n endif\n call getFld( expression, '<', 2, operator, field ) \n call eval2( field, value2)\n If( Any( eflag ) )Then\n Write(*,'(//a)')\"Problem evaluating: \" \n & // Trim( formula )\n Write(*,*)Trim(emsg)\n KSWIT = SHUT3()\n STOP\n endif\n flags = ( value1 .lt. value2 )\n Deallocate (value1, value2)\n return\n endif \n\n ! determine conditional operator is =\n if( index(expression,'=').gt.0 ) then\n call getFld( expression, '=', 1, operator, field ) \n call eval2( field, value1)\n If( Any( eflag ) )Then\n Write(*,'(//a)')\"Problem evaluating: \" \n & // Trim( formula )\n Write(*,*)Trim(emsg)\n KSWIT = SHUT3()\n STOP\n endif\n call getFld( expression, '=', 2, operator, field ) \n call eval2( field, value2)\n If( Any( eflag ) )Then\n Write(*,'(//a)')\"Problem evaluating:\" \n & // Trim( formula )\n Write(*,*)Trim(emsg)\n KSWIT = SHUT3()\n STOP\n endif\n flags = ( value1 .eq. value2 )\n Deallocate (value1, value2)\n return\n endif \n\n ! syntax error\n Write(*,'(/''**Error** conditional contains unknown operator in formula'',a)')\n & trim(formula)\n stop\n \n end Subroutine eval1b\n\n\nC subroutine to evaluate species expression (parses major fields (+-))\n Subroutine eval2(expression, buffer)\n\n IMPLICIT NONE\n\n ! arguments\n Character*(*), Intent( In ) :: expression\n Real, Intent( InOut ) :: buffer(isize)\n\n ! local variables\n Real, Allocatable :: value(:)\n Character*(EXP_LEN) :: field\n Character operator\n Integer nmajor\n Integer n\n\n buffer = 0.0D0\n Allocate ( value(isize) )\n\n ! parse major fields (+-)\n nmajor = getFldCount(expression, '+-', '*/^')\n\n ! loop thru and parse each major field and evaluate\n Do n=1,nmajor\n\n call getFld( expression, '+-', n, operator, field, '*/^' ) \n \n If( field.eq.' ' ) Then\n value = 0.0D0\n If ( n .gt. 1 ) Then\n Write(6,'(2a)')'eval2 Error: Empty Field in expression,',Trim(expression),\n & 'of the formula, ',Trim(Formula)\n Stop\n End IF\n else\n call eval3b( field, value)\n End If\n\n If( operator.eq.'+' ) Then\n buffer = buffer + value\n else If( operator.eq.'-' ) Then\n buffer = buffer - value\n else\n Write(6,'(2a)')'eval2 Error: Unknown Operator, ' // Trim(operator) \n & // ' in expression,',Trim(Formula) // ' for output species ' // Trim( out_species )\n & // '. Allowed operators are +, -, *, /, and ^.'\n Stop\n End If\n\n End Do\n\n Deallocate (value)\n return\n end Subroutine eval2\n\n\nC routine to compute a field of the expression (parses minor fields (*/^))\n Subroutine eval3(expression, value)\n \n IMPLICIT NONE\n\n ! arguments\n \n CHARACTER*(*), Intent( In ) :: expression\n Real, Intent( InOut ) :: value(isize)\n\n Logical SHUT3\n\n ! local variables\n Real, allocatable :: specValue(:)\n Character*(EXP_LEN) field\n Character operator \n Integer n, m, nflds, status\n Integer pos1, pos2, fnum\n Character*(16) funcName\n Character*(16) specName\n Real constant\n Logical KSWIT\n\n Allocate ( specValue(isize) )\n nflds = getFldCount(trim(expression), '*/^')\n value = 1.0\n \n Do n=1,nflds\n call getFld( trim(expression), '*/^', n, operator, field ) \n\n ! check for buffer array\n If( index(field,'buffer[') .gt.0 ) Then\n Call getBuffer(field, specValue)\n If( operator.eq.'*' ) value = value * specValue\n If( operator.eq.'/' ) value = value / specValue\n If( operator.eq.'^' ) value = value ** specValue\n cycle\n End If\n \n ! check for species argument (special functions)\n If( index(field,'[') .gt.0 ) Then\n \n ! switch ! and # characters within [] brackets back to + and - characters\n Call replace(field, '!', '+')\n Call replace(field, '#', '-')\n\n ! parse field between [ ] and check If number or species name\n pos1 = index(field, '[')\n pos2 = index(field, ']',.true.)\n specName = field(pos1+1:pos2-1)\n \n read(specName,'(i16)',iostat=status) fnum\n\n If( status.eq.0 ) Then !! number found\n Call readSpecies(field, specValue)\n If( operator.eq.'*' ) value = value * specValue\n If( operator.eq.'/' ) value = value / specValue\n If( operator.eq.'^' ) value = value ** specValue\n cycle\n End If !! contains '['\n End If\n !try to read field as number\n read(field,'(f20.0)',iostat=status) constant\n\n If( status.eq.0 ) Then\n If( operator.eq.'*' ) value = value * constant\n If( operator.eq.'/' ) value = value / constant\n If( operator.eq.'^' ) value = value ** constant\n Else\n Write(*,'(''**Error** Invalid field encountered:'',a)') field\n stop \n End If\n End Do\n\n Deallocate (specValue)\n return\n end Subroutine eval3\n\nC routine to compute a field of the expression (parses minor fields (*/^))\n Subroutine eval3b(expression, value)\n \n USE M3UTILIO, ONLY: BADVAL3\n\n IMPLICIT NONE\n\n ! arguments\n \n CHARACTER*(*), Intent( In ) :: expression\n Real, Intent( InOut ) :: value(isize)\n\n Logical SHUT3\n\n ! local variables\n Real, allocatable :: specValue(:)\n Character*(EXP_LEN) field\n Character operator \n Integer n, nflds\n\n Allocate ( specValue(isize) )\n nflds = getFldCount(trim(expression), '*/')\n! print*,Trim(expression)\n value = 1.0\n \n\n SpecValue = 0.0D0\n Do n=1,nflds\n call getFld( trim(expression), '*/', n, operator, field ) \n call eval4(field, specValue)\n\n If( operator.eq.'*' )Then\n value = value * specValue\n Else If( operator.eq.'/' )Then\n Where( specValue .Ne. 0.0 )\n value = value / specValue\n eflag = .false.\n Else Where\n value = BADVAL3\n eflag = .true.\n End Where\n If( Any( eflag ) )Then\n write(emsg,*) \"Denominator, \"\n & // Trim( field ) // \", equals zero.\"\n End If\n Else\n Write(6,'(2a)')'eval3b Error: Unknown Operator, ' // Trim(operator) \n & // ' in expression,',Trim(Formula) // ' for output species ' // Trim( out_species )\n & // '. Allowed operators are +, -, *, /, and ^.'\n Stop\n End If\n\n End Do\n\n Deallocate (specValue)\n return\n end Subroutine eval3b\n Subroutine eval4(expression, value)\n \n IMPLICIT NONE\n\n ! arguments\n \n CHARACTER*(*), Intent( In ) :: expression\n Real, Intent( InOut ) :: value(:)\n\n Real, allocatable :: specValue(:)\n Real, allocatable :: specPower(:)\n Character*(EXP_LEN) :: field\n Character(1) :: operator \n Integer :: n, pos1, nflds\n Real Factor\n\n \n \n\n nflds = getFldCount(trim(expression), '^')\n! value = 1.0\n!...No exponents found\n Allocate ( specValue(isize) )\n If( nflds .Eq. 1 )Then\n field = expression\n call GetValue(field, specValue)\n value = specValue\n Deallocate (specValue)\n Return\n End If\n!...check if correct number of exponents found \n! If( mod(nflds,2) .Ne. 0 )Then\n! eflag = .True.\n! Write(6,*)'Incorrect number of exponents in Formula: ', Trim(formula)\n! Return\n! End If\n!...compute fields with \n Allocate ( specPower(isize) )\n Value = 1.0D0\n n = nflds \n call getFld( trim(expression), '^', n, operator, field ) \n n = n - 1\n call GetValue(field, specPower)\n Do \n call getFld( trim(expression), '^', n, operator, field )\n\n n = n - 1\n If( field(1:1) .Eq. '-' )Then\n field = field(2:)\n Factor = -1.0D0\n Else\n Factor = 1.0D0\n End If \n call GetValue(field, specValue)\n Value = Factor * specValue**SpecPower\n If( n .Lt. 1)EXIT\n SpecPower = Value\n End Do\n\n Deallocate (specValue)\n Deallocate (specPower)\n\n end Subroutine eval4\n\nC routine to compute a field of the expression (parses minor fields (*/^))\n Subroutine GetValue(expression, value)\n \n IMPLICIT NONE\n\n ! arguments\n \n CHARACTER*(*), Intent( In ) :: expression\n Real, Intent( InOut ) :: value(isize)\n\n Logical SHUT3\n\n ! local variables\n Real, allocatable :: specValue(:)\n Character*(EXP_LEN) field\n Character operator \n Integer n, m, nflds, status\n Integer pos1, pos2, fnum\n Character*(16) funcName\n Character*(16) specName\n Real constant\n Real Factor\n\n \n If( expression(1:1) .Eq. '-' )Then\n field = expression(2:)\n Factor = -1.0D0\n Else If( expression .Eq. '+' )Then\n field = expression(2:)\n Factor = 1.0D0\n Else \n field = expression\n Factor = 1.0D0\n End If \n\n If( Len_Trim(field) .Le. 0 )Then \n Write(6,'(3a)')\n & 'GetValue Error: Empty Field or Missing Input Species Name in expression,',Trim(Formula),\n & ' for output species ' // Trim( out_species ) // '.'\n Stop\n End If\n\n!...check for buffer array\n If( index(field,'buffer[') .gt.0 ) Then\n Call getBuffer(field, Value)\n Value = Factor * Value\n Return\n End If\n \n!...check for species argument (special functions)\n If( index(field,'[') .gt.0 ) Then\n \n ! switch ! and # characters within [] brackets back to + and - characters\n Call replace(field, '!', '+')\n Call replace(field, '#', '-')\n\n ! parse field between [ ] and check If number or species name\n pos1 = index(field, '[')\n pos2 = index(field, ']',.true.)\n specName = field(pos1+1:pos2-1)\n if( pos2 .lt. Len_Trim(Field) )Then\n Write(6,'(5(a,1x))')'GetValue Error: Unknown operator or input species ',Trim(Field(pos2+1:)),\n & ' in formula,',Trim(Formula) // ' for output species ' // Trim( out_species )\n & // '. Allowed operators are +, -, *, /, and ^.'\n Stop\n end if\n \n! Write(6,'(2a)')'specName = ',Trim(specName)\n read(specName,'(i16)',iostat=status) fnum\n\n If( status.eq.0 ) Then !! number found\n Call readSpecies(field, Value)\n Value = Factor * Value\n Return\n Else\n funcName = field(1:pos1-1)\n Call UCASE(funcName)\n status = -1\n If( funcName .eq. 'FAVG' ) Call avgSpecies( specName , Value, status )\n If( funcName .eq. 'FSDEV' ) Call sdevSpecies( specName , Value, status )\n If( funcName .eq. 'FMAX' ) Call maxSpecies( specName , Value, status )\n If( funcName .eq. 'FMIN' ) Call minSpecies( specName , Value, status )\n If( status.eq.0 ) Then \n Value = Factor * Value\n Return \n End If\n! Write(6,*)'**GetValue Error** Unknown Function: ',Trim(funcName)\n End If !! contains '['\n End If\n!...try to read field as number\n read(field,'(f20.0)',iostat=status) constant\n\n If( status.eq.0 ) Then\n value = Factor * constant\n Return\n Else\n Write(*,1099)\n & Trim( field ),Trim( Formula ) // ' for output species ' \n & // Trim( out_species ) // '. An operator may be missing.'\n stop \n End If\n\n1099 Format('**GetValue Error** Invalid field encountered:',a,\n & \" in formula \",a)\n return\n end Subroutine GetValue\n\n\nC Routine to read species value array for given date and time\n Subroutine readSpecies( field, specValue)\n\n USE M3FILES\n USE M3UTILIO\n\n IMPLICIT NONE\n\n ! arguments\n Character*(*) field\n Real specValue(isize)\n\n ! local variables\n Integer pos1, pos2, status\n Character*(16) specName\n Character*(16) fileName \n Character*(10) numfld\n Integer fnum\n Integer kdate, ktime\n Integer edate, etime, m\n Logical KSWIT\n\n\n ! parse field into species name and file number\n pos1 = index(field, '[') \n pos2 = index(field, ']',.true.) \n specName = field(1:pos1-1)\n\n if(pos1.le.0 .and. pos1.ge.pos2) then\n Write(*,'(''**ERROR** Invalid file number for species '',a)') trim(specName)\n KSWIT = SHUT3()\n stop \n endif\n\n ! parse file number\n numfld = field(pos1+1:pos2-1)\n\n ! read file number from numfld\n read(numfld,*,iostat=status) fnum\n if( status.ne.0 ) then\n Write(*,'(/''**ERROR** Invalid file number for species: '',a)') trim(specName) \n Write(*,'('' file number:'',a)') trim(numfld) \n KSWIT = SHUT3()\n stop \n endif\n\n kdate = idate\n ktime = itime\n\n !! Check numfld for +- sign, to read values of next or previous time step\n if( INDEX(numfld,'-').gt.0 .or. INDEX(numfld,'+').gt.0 ) then\n fnum = ABS( fnum )\n if( .NOT. getDESC( fnum ) ) then\n Write( *, '(''**Error** While running getDESC on file '',i5)') fnum\n stop \n endif\n\n !! adjust date/time to read previous timestep\n if( INDEX(numfld,'-') .gt. 0 ) then\n if( SECSDIFF (kDate, ktime, SDATE3D, STIME3D) .lt. 0 ) then\n Call NEXTIME( kdate, ktime, -TSTEP )\n endif\n endif\n\n !! adjust date/time to read next timestep\n if( INDEX(numfld,'+') .gt. 0 ) then\n\n ! compute ending time of file\n edate = SDATE3D\n etime = STIME3D\n do m = 1, MXREC3D-1\n Call Nextime(edate, etime, TSTEP3D)\n enddo\n\n if( SECSDIFF (kDate, ktime, edate, etime) .gt. 0 ) then\n Call NEXTIME( kdate, ktime, TSTEP )\n endif\n endif\n endif !! condition to adjust timestep for read\n\n !! call routine to read species values from file fnum\n status = 0\n Call ReadValues( fnum, specName, ilayer, kdate, ktime, isize, \n & specValue, status)\n\n !! check read status\n if( status.ne.0 ) then\n if( fnum.eq.0 ) filename = 'OUTFILE'\n if( fnum.gt.0 ) filename = M3FILENAME(fnum)\n\n Write(*,'(/''**ERROR** Invalid syntax for field: '',a)') trim(field) \n Write(*,'(/''**ERROR** Cannot read '',a,'' from '',a)')\n & trim(specName), trim(fileName)\n KSWIT = SHUT3()\n stop \n endif \n\n return\n end Subroutine readSpecies \n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC Routine to compute average species value at each cell from all input files\n Subroutine avgSpecies( specName, specValue, status)\n\n USE M3FILES\n USE M3UTILIO\n\n IMPLICIT NONE\n\n ! arguments\n Character*(*) specname\n Real specValue(isize)\n Integer status\n\n ! local variables\n Integer n, i \n Real, Allocatable :: values(:,:)\n Logical KSWIT\n\n ! allocate arrays\n Allocate( values(isize, N_M3FILES) )\n\n ! read species values from all input files\n do n = 1, N_M3FILES\n\n status = 0 \n Call ReadValues( n, specName, ilayer, idate, itime, isize, \n & values(:,n), status)\n\n !! check read status\n if( status.ne.0 ) then\n Write(*,'(/''**ERROR** Cannot read '',a,'' from '',a)')\n & trim(specName), trim(M3FILENAME(n))\n KSWIT = SHUT3()\n stop\n endif\n\n enddo !! read loop\n\n !! compute averages\n do i = 1, isize\n specValue(i) = 0.0\n do n = 1, N_M3FILES\n specValue(i) = specValue(i) + values(i,n)\n enddo\n specValue(i) = specValue(i) / N_M3FILES \n enddo \n\n ! deallocate arrays\n DeAllocate( values )\n\n status = 0\n return\n End Subroutine avgSpecies \n\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC Routine to find minimum species value at each cell from all input files\n Subroutine minSpecies( specName, specValue, status)\n\n USE M3FILES\n USE M3UTILIO\n\n IMPLICIT NONE\n\n ! arguments\n Character*(*) specname\n Real specValue(isize)\n Integer status\n\n ! local variables\n Integer n, i \n Real, Allocatable :: values(:,:)\n Logical KSWIT\n\n ! allocate arrays\n Allocate( values(isize, N_M3FILES) )\n\n ! read species values from all input files\n do n = 1, N_M3FILES\n\n status = 0 \n Call ReadValues( n, specName, ilayer, idate, itime, isize, \n & values(:,n), status)\n\n !! check read status\n if( status.ne.0 ) then\n Write(*,'(/''**ERROR** Cannot read '',a,'' from '',a)')\n & trim(specName), trim(M3FILENAME(n))\n KSWIT = SHUT3()\n stop\n endif\n\n enddo !! read loop\n\n !! find minimums\n do i = 1, isize\n specValue(i) = values(i,1)\n do n = 2, N_M3FILES\n if(values(i,n) .lt. specValue(i)) specValue(i) = values(i,n)\n enddo\n enddo \n\n ! deallocate arrays\n DeAllocate( values )\n\n status = 0\n return\n End Subroutine minSpecies \n\n\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC Routine to find maximum species value at each cell from all input files\n Subroutine maxSpecies( specName, specValue, status)\n\n USE M3FILES\n USE M3UTILIO\n\n IMPLICIT NONE\n\n ! arguments\n Character*(*) specname\n Real specValue(isize)\n Integer status\n\n ! local variables\n Integer n, i \n Real, Allocatable :: values(:,:)\n Logical KSWIT\n\n ! allocate arrays\n Allocate( values(isize, N_M3FILES) )\n\n ! read species values from all input files\n do n = 1, N_M3FILES\n\n status = 0 \n Call ReadValues( n, specName, ilayer, idate, itime, isize, \n & values(:,n), status)\n\n !! check read status\n if( status.ne.0 ) then\n Write(*,'(/''**ERROR** Cannot read '',a,'' from '',a)')\n & trim(specName), trim(M3FILENAME(n))\n KSWIT = SHUT3()\n stop\n endif\n\n enddo !! read loop\n\n !! find minimums\n do i = 1, isize\n specValue(i) = values(i,1)\n do n = 2, N_M3FILES\n if(values(i,n) .gt. specValue(i)) specValue(i) = values(i,n)\n enddo\n enddo \n\n ! deallocate arrays\n DeAllocate( values )\n\n status = 0\n return\n End Subroutine maxSpecies \n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC Routine to compute the standard deviation value at each cell from all input files\n Subroutine sdevSpecies( specName, specValue, status)\n\n USE M3FILES\n USE M3UTILIO\n\n IMPLICIT NONE\n\n ! arguments\n Character*(*) specname\n Real specValue(isize)\n Integer status\n\n ! local variables\n Integer n, i \n Real xtotal, x2total , var\n Real, Allocatable :: values(:,:)\n Logical KSWIT\n\n !! if the number of files == 1, then set standard deviation values to zero\n if( N_M3FILES .le. 0 ) then\n specValue = 0.0\n status = 0\n return\n endif\n\n ! allocate arrays\n Allocate( values(isize, N_M3FILES) )\n\n ! read species values from all input files\n do n = 1, N_M3FILES\n\n status = 0 \n Call ReadValues( n, specName, ilayer, idate, itime, isize, \n & values(:,n), status)\n\n !! check read status\n if( status.ne.0 ) then\n Write(*,'(/''**ERROR** Cannot read '',a,'' from '',a)')\n & trim(specName), trim(M3FILENAME(n))\n KSWIT = SHUT3()\n stop\n endif\n\n enddo !! read loop\n\n !! find minimums\n do i = 1, isize\n xtotal = 0.0\n x2total = 0.0\n do n = 1, N_M3FILES\n xtotal = xtotal + values(i,n) \n x2total = x2total + values(i,n)**2 \n enddo\n\n var = (N_M3FILES*x2total - xtotal**2) / (N_M3FILES * (N_M3FILES-1))\n specValue(i) = SQRT(var)\n\n enddo \n\n ! deallocate arrays\n DeAllocate( values )\n\n status = 0\n return\n End Subroutine sdevSpecies \n\n END MODULE evaluator\n" }, { "path": "POST/combine/src/module_file.F", "content": "!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/work/rep/TOOLS/src/combine/module_file.F,v 1.1.1.1 2005/07/27 12:55:20 sjr Exp $\n\nC***********************************************************************\nC\nC MODULE: sets up file data\nC \nC***********************************************************************\n MODULE M3FILES\n\n USE M3UTILIO\n\n INTEGER, Public :: N_M3FILES ! No. of input Models-3 files\n\n INTEGER, PARAMETER, Public :: MXM3FLS = MXFILE3 - 1 ! Max no. of input files - use IOAPI parameter \n ! MXFILE3 - 1 to also allow one output file\n \n CHARACTER*16, Public :: M3FILENAME( MXM3FLS ) ! filenames\n CHARACTER*10, Public :: FILETYPE( MXM3FLS ) ! filetypes\n Integer, Public :: WRFid( MXM3FLS ) ! NCIDs for WRF files\n\n Logical, Public :: convert(MXM3FLS) ! convert flags\n\n INTEGER, Public :: startDate, startTime\n INTEGER, Public :: endDate, endTime\n INTEGER, Public :: TSTEP\n INTEGER, Public :: NROWS\n INTEGER, Public :: NCOLS\n INTEGER, Public :: NLAYS\n REAL*8, Public :: XCELL\n REAL*8, Public :: YCELL\n REAL*8, Public :: XORIG\n REAL*8, Public :: YORIG \n REAL*8, Public :: YCENT \n\n REAL*8, Public, PARAMETER :: smallnum = 0.001d0\n\n Public :: canConvert, OPENFILE, getDESC, WRF_DESC, OPEN_FILES, ReadValues,\n & Rd_ioapi, Rd_wrf, SetMapProj, ToProj, ToLL\n \n Private \n\n Interface \n Subroutine getFld( record, delimiter, nth, del, field, exception )\n CHARACTER*(*), Intent( In ) :: record\n CHARACTER*(*), Intent( In ) :: delimiter\n CHARACTER, Intent( Out ) :: del\n Integer, Intent( In ) :: nth\n CHARACTER*(*), Intent( Out ) :: field\n CHARACTER*(*), Optional, Intent( In ) :: exception\n End Subroutine getFld\n INTEGER FUNCTION getFldCount(record, delimiter, exception) Result(nfields)\n CHARACTER*(*), Intent( In ) :: record\n CHARACTER*(*), Intent( In ) :: delimiter\n CHARACTER*(*), Optional, Intent( In ) :: exception\n End FUNCTION getFldCount\n Subroutine LeftTrim( STRING )\n CHARACTER*(*), INTENT( INOUT ) :: STRING\n End Subroutine LeftTrim\n Subroutine RightTrim( STRING )\n CHARACTER*(*), INTENT( INOUT ) :: STRING\n End Subroutine RightTrim\n SUBROUTINE UCASE ( STR )\n CHARACTER, INTENT( INOUT ) :: STR*( * )\n END SUBROUTINE UCASE\n Subroutine replace( string, old, new )\n Character*(*), Intent( InOut ) :: string\n Character*(1), Intent( In ) :: old \n Character*(1), Intent( In ) :: new \n End Subroutine replace \n SUBROUTINE Remove_WhiteSpaces (text)\n CHARACTER*(*), Intent( InOut ) :: text\n END SUBROUTINE Remove_WhiteSpaces\n End Interface\n \n CONTAINS\n\nC***********************************************************************\nC open input ioapi files\nC***********************************************************************\n SUBROUTINE OPEN_FILES\n\n USE M3UTILIO\n \n IMPLICIT NONE \n\n ! LOCAL VARIABLES:\n INTEGER n, m ! Loop index\n INTEGER status ! Status code\n INTEGER EDATE, ETIME, runlen\n Character*(256) fname\n\n LOGICAL valid\n LOGICAL function canConvert\n\n\n !cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n ! Determine the number of input CTM conc files that need to be read\n !cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n N_M3FILES = 0\n if( .NOT. OPENFILE( 1 ) ) then\n Write(*,'(''**Error** Could not open input file'',\n & '' for \"INFILE1\"'')')\n return\n endif\n\n if( .NOT. getDESC( 1 ) ) then\n Write( *, '(''**Error** While running getDESC on '',\n & A)' ) M3FILENAME(1)\n return\n endif\n\n N_M3FILES = 1\n\n ! save file parameters\n TSTEP = TSTEP3D\n NROWS = NROWS3D\n NCOLS = NCOLS3D\n NLAYS = NLAYS3D\n XCELL = XCELL3D\n YCELL = YCELL3D\n XORIG = XORIG3D\n YORIG = YORIG3D\n YCENT = YCENT3D\n \n ! set startDate and startTime from first file \n startDate = SDATE3D\n startTime = STIME3D\n\n ! compute ending time of file \n endDate = SDATE3D\n endTime = STIME3D\n DO m = 1, MXREC3D-1\n Call Nextime(endDate, endTime, TSTEP3D)\n enddo\n\n ! try to open files (2-MXM3FLS) \n DO n = 2, MXM3FLS\n\n if( .NOT. OPENFILE( n ) ) exit\n\n if( .NOT. getDESC( n ) ) then\n Write( *, '(''**Error** While running getDESC on '',A)' )\n & M3FILENAME(n)\n N_M3FILES = 0\n return \n endif\n \n valid = .true.\n\n !! if file is time dependent, adjust start and end dates\n if( TSTEP3D.gt. 0 ) then\n\n if( TSTEP.lt.TSTEP3D ) valid = .false. ! time step\n\n ! reset startDate and startTime if file starts after\n if( SECSDIFF (startDate, startTime, SDATE3D, STIME3D) .gt. 0 ) then\n startDate = SDATE3D\n startTime = STIME3D\n endif\n \n ! compute ending time of file\n EDATE = SDATE3D\n ETIME = STIME3D\n DO m = 1, MXREC3D-1\n Call Nextime(EDATE, ETIME, TSTEP3D)\n enddo\n\n ! reset endDate and endTime if file ends before\n if( SECSDIFF (endDate, endTime, EDATE, ETIME) .lt. 0 ) then\n endDate = EDATE\n endTime = ETIME\n endif\n endif ! time independent file\n\n ! verify domain parameters\n\n if( DABS(XCELL-XCELL3D) > smallnum ) valid = .false. ! delta-X\n if( DABS(YCELL-YCELL3D) > smallnum ) valid = .false. ! delta-Y\n if( .NOT.valid ) then\n Write( *, '(''**Error** Inconsistent file domain for ''\n & ,A)' ) M3FILENAME(n)\n N_M3FILES = 0\n return\n endif \n\n ! check if file needs to be converted\n convert(N) = .false.\n if( NROWS.ne.NROWS3D ) convert(N) = .true.\n if( NCOLS.ne.NCOLS3D ) convert(N) = .true.\n if( DABS(XORIG-XORIG3D) > smallnum ) convert(N) = .true.\n if( DABS(YORIG-YORIG3D) > smallnum ) convert(N) = .true.\n\n ! check if file can be converted\n if( convert(N) .and. (.NOT.canConvert()) ) then\n Write( *, '(''**Error** Inconsistent file domain for ''\n & ,A)' ) M3FILENAME(n)\n write(*,'('' NROWS='',2i8)') NROWS, NROWS3D\n write(*,'('' NCOLS='',2i8)') NCOLS, NCOLS3D\n write(*,'('' XORIG='',2f12.2)') REAL(XORIG), REAL(XORIG3D)\n write(*,'('' YORIG='',2f12.2)') REAL(YORIG), REAL(YORIG3D)\n N_M3FILES = 0\n return\n endif\n \n N_M3FILES = N_M3FILES +1\n enddo !! end file open loop\n \n ! get file description for M3FILENAME(1)\n if( .NOT. getDESC( 1 ) ) then\n Write( *, '(''**Error** While running getDESC on '',A)' )\n & M3FILENAME(1)\n N_M3FILES = 0\n return\n endif\n \n return\n\n END SUBROUTINE OPEN_FILES\n\n\nC***********************************************************************\nC Determine file type and open file for given type\nC***********************************************************************\n Logical Function OPENFILE(fileNo) result( rstatus )\n\n USE M3UTILIO\n\n IMPLICIT NONE\n\n !! Include netcdf header file\n INCLUDE 'netcdf.inc'\n\n !! arguments\n Integer fileNo\n\n !! local variables\n Character*(256) fname\n Integer status\n Logical valid\n Integer ncid\n Integer dimid\n Integer attlen\n\n \n !! check for invalid file number \n if( fileNo.le.0 .or. fileNo.gt.MXM3FLS ) then\n Write( *, '(''**Error** Invalid file number in OPENFILE routine'')' )\n rstatus = .false.\n return\n endif\n\n\n !! build envName for file\n if( fileNo.lt.10 ) then\n write(M3FILENAME(fileNo), '( ''INFILE'', I1 )' ) fileNo\n elseif(fileNo.lt.100) then\n write(M3FILENAME(fileNo), '( ''INFILE'', I2 )' ) fileNo\n else\n write(M3FILENAME(fileNo), '( ''INFILE'', I3 )' ) fileNo\n endif\n\n !! get filename from ENV variable\n Call NAMEVAL( M3FILENAME(fileNo), fname )\n\n !! check if file exist\n INQUIRE(file=fname, exist=valid)\n if( .not.valid ) then\n write(*,'(''**WARNING** File does not exist:'',a)') TRIM(fname)\n rstatus = .false.\n return\n endif\n\n !! open file as a netcdf file and determine type\n status = NF_OPEN(fname, NF_NOWRITE, ncid) \n if( status.ne.0 ) then\n write(*,'(''**ERROR** Cannot open input file:'',a)') TRIM(fname)\n rstatus = .false.\n return\n endif\n\n !! check for IOAPI file, verify attribute \"IOAPI_VERSION\" \n status = NF_INQ_ATTLEN(ncid, NF_GLOBAL, 'IOAPI_VERSION', attlen)\n if( status.eq.0 ) then\n filetype(fileNo) = 'IOAPI'\n status = NF_CLOSE(ncid)\n rstatus = OPEN3( M3FILENAME(fileNo), 1, 'combine') \n return\n endif\n\n !! check for WRF file, verify dimension \"west_east\" \n status = NF_INQ_DIMID(ncid, 'west_east', dimid)\n if( status.eq.0 ) then\n filetype(fileNo) = 'WRF'\n WRFid(fileNo) = ncid\n\n if( .NOT.WRF_DESC( fileNo ) ) then\n rstatus = .false.\n return\n endif\n\n !! write file description\n write(*,'(/,5x,''\"'',a,''\" opened as OLD:READ-ONLY'')') TRIM(M3FILENAME(fileNo))\n write(*,'(5x,''File name \"'',a,''\"'')') TRIM(fname) \n write(*,'(5x,''File type netcdf'')') \n write(*,'(5x,''Execution ID \"'',a,''\"'')') TRIM(EXECN3D) \n write(*,'(5x,''Dimension:'',i5,'' rows, '',i5,'' cols, '',i5,'' lays, '',i5,'' vbles'')')\n & NROWS3D, NCOLS3D, NLAYS3D, NVARS3D\n write(*,'(5x,''NetCDF ID:'',i10)') ncid \n write(*,'(5x,''Starting date and time '',i8,'':'',i6.6,'' ('',a,'')'')')\n & SDATE3D, STIME3D, DT2STR(SDATE3D, STIME3D)\n write(*,'(5x,''Time step '',i8,'' ('',a,'' hh:mm:ss)'' )') TSTEP3D, TRIM(HHMMSS(TSTEP3D))\n write(*,'(5x,''Maximun current record number'',i10,/)') MXREC3D\n\n rstatus = .true. \n return\n endif\n\n !! Unknown file type, return error status\n write(*,'(''**ERROR** Unknown file type:'',a)') TRIM(fname)\n rstatus = .false.\n\n return \n end Function OPENFILE\n\n\nC*****************************************************************************\nC set the file variables defining map projection, grid, and time parameters\nC*****************************************************************************\n Logical Function getDESC(fileNo) result( rstatus )\n\n USE M3UTILIO\n\n IMPLICIT NONE\n\n !! arguments\n Integer fileNo\n\n !! local variables\n Character*(256) fname\n Integer status\n Logical valid\n\n !! OUTPUT file type\n if( fileNo .eq. 0 ) then\n rstatus = DESC3( 'OUTFILE' )\n return\n endif \n\n !! IOAPI file type\n if( FILETYPE( fileNo ) .eq. 'IOAPI' ) then\n rstatus = DESC3( M3FILENAME(fileNo) )\n return\n endif \n\n !! WRF file type\n if( FILETYPE( fileNo ) .eq. 'WRF' ) then\n rstatus = WRF_DESC( fileNo )\n return\n endif \n\n return\n end Function getDESC\n\n\n\nC***********************************************************************\nC check if domain grid is a subgrid of current file description\nC***********************************************************************\n Logical Function canConvert() result( pass )\n\n USE M3UTILIO\n\n IMPLICIT NONE \n\n Real xdiff, ydiff\n Integer xoffset, yoffset \n\n\n pass = .false.\n \n ! find origin different\n xdiff = XORIG - XORIG3D\n ydiff = YORIG - YORIG3D\n \n ! check lower limits\n if( xdiff.lt.0.0 ) return \n if( ydiff.lt.0.0 ) return\n\n ! check upper limits\n if( (XORIG + NCOLS*XCELL) .gt. (XORIG3D + NCOLS3D*XCELL3D) ) return\n if( (YORIG + NROWS*YCELL) .gt. (YORIG3D + NROWS3D*YCELL3D) ) return\n\n ! compute row and column offsets that grid lies on grid line\n xoffset = xdiff / XCELL3D\n yoffset = ydiff / YCELL3D\n \n ! check that offsets lies on grid line\n if( int(xoffset*XCELL3D) .ne. int(xdiff) ) return\n if( int(yoffset*YCELL3D) .ne. int(ydiff) ) return\n\n pass = .true.\n return \n\n END FUNCTION canConvert \n\n\nC***********************************************************************\nC routine to read species values from file\nC***********************************************************************\n SUBROUTINE ReadValues( fileNo, specName, ilayer, idate, itime,\n & isize, specValue, status)\n\n USE M3UTILIO\n\n IMPLICIT NONE\n\n ! argument variables\n Integer fileNo\n Character*(*) specName\n Integer ilayer, idate, itime, isize, status\n Real specValue(isize)\n\n status = 0\n\n !! check to read OUTPUT file\n if( fileNo .eq. 0 ) then\n if(.NOT.SYNC3( 'OUTFILE' )) Write(*,'(''**ERROR** on SYNC3 call'')')\n \n if(.NOT.READ3( 'OUTFILE', specName, ilayer, idate,\n & itime, specValue)) status = -1\n \n return\n endif\n\n !! check file type and call read it's read routine\n if( FILETYPE(fileNo) .eq. 'IOAPI' ) then\n Call Rd_ioapi( M3FILENAME(fileNo), specName, ilayer, idate, itime,\n & isize, specValue, status)\n return\n endif\n\n if( FILETYPE(fileNo) .eq. 'WRF' ) then\n Call Rd_wrf( fileNo, specName, ilayer, idate, itime,\n & isize, specValue, status)\n return\n endif\n\n Write(*,'(/,''**ERROR** Unknown file type for file number:'',i3)') fileNo\n stop\n \n end SUBROUTINE ReadValues \n\n\n\nC***********************************************************************\nC routine to read species values from IOAPI file\nC***********************************************************************\n SUBROUTINE Rd_ioapi( fileName, specName, ilayer, idate, itime,\n & isize, specValue, status)\n\n USE M3UTILIO\n\n IMPLICIT NONE \n\n ! argument variables\n Character*(*) fileName\n Character*(*) specName\n Integer ilayer, idate, itime, isize, status\n Real specValue(isize)\n\n ! local variables\n Integer fileNo\n Integer jdate, jtime\n Integer colOffset, rowOffset\n Real, Allocatable :: values(:,:,:)\n Integer lay1, lay2\n Integer k, c, r, l\n\n ! read file number from fileName\n read(fileName,'(6x,i2)', iostat=status) fileNo\n\n ! get file description\n if( .NOT.getDESC( fileNo ) ) then\n status = -1\n return\n endif\n\n ! set time and date to read, if TSTEP3D==0, then set date/time to SDATE3D/STIME3D\n jdate = idate\n jtime = itime\n if( TSTEP3D.eq.0 ) then\n jdate = SDATE3D\n jtime = STIME3D\n endif\n\n ! if no conversion needed, read the values directly\n if( .NOT.convert(fileNo) ) then\n\n if(.NOT.READ3( fileName, specName, ilayer, jdate,\n & jtime, specValue)) status = -1 \n return\n endif\n\n\n !!!! read values from file and convert to specValue \n \n ! determine number of layers to read \n lay1 = NLAYS3D\n if(ilayer.gt.0) lay1 = 1\n\n ! allocate values array \n Allocate ( values(NCOLS3D, NROWS3D, lay1) )\n \n ! read values from super file\n if(.NOT.READ3( fileName, specName, ilayer, jdate,\n & jtime, values)) then \n status = -1\n return\n endif \n\n ! compute column and row offsets\n colOffset = (XORIG - XORIG3D) / XCELL3D\n rowOffset = (YORIG - YORIG3D) / YCELL3D\n\n ! compute starting and ending layers to copy\n lay1 = 1\n lay2 = NLAYS\n if( ilayer.gt.0 ) then\n lay1 = 1\n lay2 = 1\n endif \n\n ! copy values array to specValue array\n k = 0\n do l=lay1,lay2\n do r=1,NROWS\n do c=1,NCOLS\n k = k+1\n specValue(k) = values( c+colOffset, r+rowOffset, l)\n enddo\n enddo\n enddo\n\n Deallocate( values )\n Return \n\n END SUBROUTINE Rd_ioapi\n\n\nC***********************************************************************\nC routine to read species values from WRF file\nC***********************************************************************\n SUBROUTINE Rd_wrf( fileNo, specName, ilayer, idate, itime,\n & isize, specValue, status)\n\n USE M3UTILIO\n\n IMPLICIT NONE\n\n !! Include netcdf header file\n INCLUDE 'netcdf.inc'\n\n ! argument variables\n Integer fileNo \n Character*(*) specName\n Integer ilayer, idate, itime, isize, status\n Real specValue(isize)\n\n ! local variables\n Integer varid\n Integer curDate, curTime, n, step\n Integer dimids( NF_MAX_VAR_DIMS )\n Character*64 name\n Integer xtype, ndims, natts\n Integer start(4), count(4)\n Integer size2d \n Integer colOffset, rowOffset\n Integer l, i, j\n\n ! get file description\n if( .NOT.getDESC( fileNo ) ) then\n status = -1\n return\n endif\n\n !! get varid for variable\n status = NF_INQ_VARID( WRFid(fileNo), specName, varid)\n status = status + NF_INQ_VAR( WRFid(fileNo), varid, name, xtype, ndims, dimids, natts )\n if( status.ne. 0 ) then\n write(*,'(''**ERROR** Reading species ['',a,'']'')') TRIM(specName)\n return \n endif\n\n !! determine time step to read\n curDate = SDATE3D\n curTime = STIME3D\n step = -1\n do n = 1, MXREC3D\n if( SECSDIFF (curDate, curTime, idate, itime) .eq. 0 ) then\n step = n\n EXIT\n endif\n Call NEXTIME(curDate, curTime, TSTEP3D)\n enddo\n\n !! check for date/time out of range\n if( step.le.0 ) then\n status = -1\n return\n endif\n\n !! read 2-D \n if( ndims.eq.3 ) then\n\n !! check if conversion needed\n if( convert(fileNo) ) then \n colOffset = (XORIG - XORIG3D) / XCELL3D\n rowOffset = (YORIG - YORIG3D) / YCELL3D\n start = (/ 1+colOffset, 1+rowOffset, step, 0 /)\n count = (/ NCOLS, NROWS, 1, 0 /)\n else \n start = (/ 1, 1, step, 0 /)\n count = (/ NCOLS3D, NROWS3D, 1, 0 /)\n endif\n \n !! read variable \n status = NF_GET_VARA_REAL( WRFid(fileNo), varid, start, count, specValue)\n if( status.ne. 0 ) then\n write(*,'(''**ERROR** Reading species ['',a,'']'')') TRIM(specName)\n return \n endif\n\n !! if more then 1 layer, duplicate layer 1 to rest of layers\n if(ilayer.lt.0) then\n size2d = NCOLS * NROWS\n\n do l = 2, NLAYS\n do i = 1, size2d\n j = size2d * (l-1) + i\n specValue(j) = specValue(i) \n enddo\n enddo\n\n endif \n\n return\n endif !! read 2-D\n\n !! read 3-D\n if( ndims.eq.4 ) then\n\n !! check if conversion needed\n if( convert(fileNo) ) then\n colOffset = (XORIG - XORIG3D) / XCELL3D\n rowOffset = (YORIG - YORIG3D) / YCELL3D\n start = (/ 1+colOffset, 1+rowOffset, 1, step /)\n count = (/ NCOLS, NROWS, 1, 1 /)\n else\n start = (/ 1, 1, 1, step /)\n count = (/ NCOLS3D, NROWS3D, 1, 1 /)\n endif\n\n !! determine which layer(s) to read\n if(ilayer.gt.0) then\n start(3) = ilayer\n count(3) = 1\n else\n start(3) = 1\n count(3) = NLAYS\n endif\n\n !! read variable\n status = NF_GET_VARA_REAL( WRFid(fileNo), varid, start, count, specValue)\n if( status.ne. 0 ) then\n write(*,'(''**ERROR** Reading species ['',a,'']'')') TRIM(specName)\n return\n endif\n \n return\n endif !! 3-D read\n\n Return\n\n END SUBROUTINE Rd_wrf \n\n\n\n \nC******************************************************************************\nC set the WRF file variables defining map projection, grid, and time parameters\nC******************************************************************************\n Logical Function WRF_DESC(fileNo) result( rstatus )\n\n USE M3UTILIO\n\n IMPLICIT NONE\n\n !! Include netcdf header file\n INCLUDE 'netcdf.inc'\n\n !! arguments\n Integer fileNo\n\n !! local variables\n Integer status\n Logical valid\n Integer dimid\n Integer varid\n Integer map_proj\n Integer year, month, day, jday\n Integer hour, minute, second\n Integer jdate1,jtime1,jdate2,jtime2\n Real tstep\n Real cen_lat, cen_lon\n Real truelat1, truelat2, stand_lon, moad_cen_lat\n Real dx, dy\n Real x, y\n Real Xoffset, Yoffset\n Real xtemp, ytemp\n Integer start(4), count(4)\n Integer nvars, n, i\n Integer dimids( NF_MAX_VAR_DIMS )\n Integer NCHARDATE\n Character*64 name\n Character*24 dateStr\n Integer xtype, ndims, natts\n Logical match\n Integer ncdif, nrdif, mycelloff\n Real col_cent_cmaq, row_cent_cmaq, diflat, diflon\n Real, Parameter :: centol = 0.0001\n Real*8 xe_cent_cmaq, yn_cent_cmaq\n Real cen_lat_cmaq, cen_lon_cmaq\n\n Character*16 :: reqDimNa3D(4)=(/'west_east ', \n & 'south_north',\n & 'bottom_top ',\n & 'Time ' /)\n Integer :: reqDimid3D(4)\n Character*16 :: reqDimNa2D(3)=(/'west_east ', \n & 'south_north',\n & 'Time ' /)\n Integer :: reqDimid2D(3)\n \n character*19, allocatable :: timestamp(:)\n\n !! Check for very fine grid spacing. Tolerance and testing is\n !! not set up to trap error conditions as grid spacing becomes\n !! very small.\n\n IF ( xcell3d <= 444.0 .OR. ycell3d <= 444.0 ) THEN\n WRITE(*,'(''**ERROR** Error traps not tested for '',\n & '' domains with smaller DX than 444-km'')')\n rstatus = .false.\n RETURN\n ENDIF\n\n\n !! set FTYPE3D to gridded\n FTYPE3D = 1\n\n status = NF_GET_ATT_TEXT( WRFid(fileNo), NF_GLOBAL, 'TITLE', EXECN3D )\n if( status.ne. 0 .or. ICHAR(EXECN3D(1:1)).eq.0 ) then\n EXECN3D = 'WRF V3.3'\n endif\n\n !! set NCOLS3D, NROWS3D, and NLAYS3D variables\n status = NF_INQ_DIMID( WRFid(fileNo), 'west_east', dimid )\n status = status + NF_INQ_DIMLEN( WRFid(fileNo), dimid, NCOLS3D )\n\n status = status + NF_INQ_DIMID( WRFid(fileNo), 'south_north', dimid )\n status = status + NF_INQ_DIMLEN( WRFid(fileNo), dimid, NROWS3D )\n\n status = status + NF_INQ_DIMID( WRFid(fileNo), 'bottom_top', dimid )\n status = status + NF_INQ_DIMLEN( WRFid(fileNo), dimid, NLAYS3D )\n\n status = status + NF_INQ_DIMID( WRFid(fileNo), 'Time', dimid )\n status = status + NF_INQ_DIMLEN( WRFid(fileNo), dimid, MXREC3D )\n\n\n status = status + NF_INQ_DIMID( WRFid(fileNo), 'DateStrLen', dimid )\n status = status + NF_INQ_DIMLEN( WRFid(fileNo), dimid, NCHARDATE )\n\n if( status.ne. 0 ) then\n write(*,'(''**ERROR** Reading required WRF dimensions'')')\n rstatus = .false.\n return\n endif\n\n !! set map projection variables\n status = NF_GET_ATT_INT( WRFid(fileNo), NF_GLOBAL, 'MAP_PROJ', map_proj)\n status = status + NF_GET_ATT_REAL( WRFid(fileNo), NF_GLOBAL, 'TRUELAT1', truelat1)\n status = status + NF_GET_ATT_REAL( WRFid(fileNo), NF_GLOBAL, 'TRUELAT2', truelat2)\n status = status + NF_GET_ATT_REAL( WRFid(fileNo), NF_GLOBAL, 'STAND_LON', stand_lon)\n status = status + NF_GET_ATT_REAL( WRFid(fileNo), NF_GLOBAL, 'MOAD_CEN_LAT', moad_cen_lat)\n status = status + NF_GET_ATT_REAL( WRFid(fileNo), NF_GLOBAL, 'CEN_LAT', cen_lat)\n status = status + NF_GET_ATT_REAL( WRFid(fileNo), NF_GLOBAL, 'CEN_LON', cen_lon)\n if( status.ne. 0 ) then\n write(*,'(''**ERROR** Reading required map projection variables'')')\n rstatus = .false.\n return\n endif\n \n !! set horizontal grid variables\n NTHIK3D = 1\n write(GDNAM3D, '(''WRF_'',i3.3,''X'',I3.3)') NCOLS3D, NROWS3D\n\n status = NF_GET_ATT_REAL( WRFid(fileNo), NF_GLOBAL, 'DX', dx)\n status = status + NF_GET_ATT_REAL( WRFid(fileNo), NF_GLOBAL, 'DY', dy)\n if( status.ne. 0 ) then\n write(*,'(''**ERROR** Reading required map projection variables'')')\n rstatus = .false.\n return\n endif\n\n if( map_proj .eq. 1 ) then !! Lambert\n \n GDTYP3D = 2 !! lambert\n P_ALP3D = DBLE(min(truelat1,truelat2))\n P_BET3D = DBLE(max(truelat1,truelat2))\n P_GAM3D = DBLE(stand_lon)\n XCENT3D = DBLE(stand_lon) \n YCENT3D = YCENT ! assign reference latitude from first IOAPI file\n \n XCELL3D = DBLE(dx)\n YCELL3D = DBLE(dy)\n\n else if( map_proj .eq. 2 ) then !! Polste\n \n GDTYP3D = 6 !! polste\n P_ALP3D = SIGN(1.0, cen_lat)\n P_BET3D = truelat1\n P_GAM3D = stand_lon\n XCENT3D = stand_lon \n\n YCENT3D = DBLE( moad_cen_lat)\n \n XCELL3D = DBLE(dx)\n YCELL3D = DBLE(dy)\n\n else\n write(*,*) map_proj\n write(*,'(''**ERROR** Unsupported map projection type for wrfout'')')\n rstatus = .false.\n return\n endif\n\n\n ! Find latitude and longitude coordinates of center of the\n ! CMAQ domain. Use these for comparison against the WRF\n ! domain. It is expected that these coordinates are the same\n ! as in the WRF domain because it is expected that the CMAQ\n ! domain is a subset of the WRF domain with a symmetrical\n ! perimeter removed. The latitude and longitude of the center\n ! of the CMAQ domain are in CEN_LAT_CMAQ and CEN_LON_CMAQ.\n\n col_cent_cmaq = FLOAT(ncols+1) * 0.5\n row_cent_cmaq = FLOAT(nrows+1) * 0.5\n\n xe_cent_cmaq = xorig + DBLE(col_cent_cmaq - 0.5) * xcell\n yn_cent_cmaq = yorig + DBLE(row_cent_cmaq - 0.5) * ycell\n\n Call SetMapProj(GDTYP3D, real(P_ALP3D), real(P_BET3D), \n & real(P_GAM3D), real(XCENT3D), real(YCENT3D))\n\n Call ToLL(GDTYP3D, real(xe_cent_cmaq), real(yn_cent_cmaq),\n & cen_lon_cmaq, cen_lat_cmaq)\n\n\n diflat = ABS(cen_lat - cen_lat_cmaq)\n diflon = ABS(cen_lon - cen_lon_cmaq)\n\n ! For polar stereographic grids that are centered at a pole,\n ! the center longitude is irrelevant for this comparison.\n\n IF ( ( gdtyp3d == 6 ) .AND. \n & ( ( diflat == 0 ) .AND. ( ABS(NINT(cen_lat)) == 90 ) ) ) THEN\n diflon = 0.0\n ENDIF\n\n\n ! Assume that the only time we are coming into this section\n ! of code is for WRF files generated by the two-way model\n ! when MCIP files are not handy for processing by Combine. In\n ! that case, the \"trim\" perimeter for WRF should be\n ! symmetrical.\n\n ncdif = ncols3d - ncols\n nrdif = nrows3d - nrows\n IF ( ( ncdif == nrdif ) .AND. ( MOD (nrdif, 2) == 0 ) .AND.\n & ( nrdif > 0 ) .AND. \n & ( diflat < centol ) .AND. ( diflon < centol ) ) THEN\n mycelloff = nrdif / 2\n ELSE\n write(*,'(''**ERROR** Expecting centered WRF and ''\n & ''CMAQ domains'')')\n rstatus = .false.\n return\n ENDIF\n\n xorig3d = xorig - mycelloff * xcell3d\n yorig3d = yorig - mycelloff * ycell3d\n\n\n\n !! set vertical grid variables\n VGTYP3D = 7\n\n !! read V_TOP variable for VGTOP3D\n start = (/ 1, 0, 0, 0 /)\n count = (/ 1, 0, 0, 0 /)\n status = NF_INQ_VARID( WRFid(fileNo), 'P_TOP', varid)\n status = status + NF_GET_VARA_REAL( WRFid(fileNo), varid, start, count, VGTOP3D)\n if( status.ne. 0 ) then\n write(*,'(''**ERROR** Reading VGTOP3D value from P_TOP variable'')')\n rstatus = .false.\n return\n endif\n\n\n !! read ZNW values for VGLVS3D values\n start = (/ 1, 1, 1, 1 /)\n count = (/ NLAYS3D+1, 1, 0, 0 /) \n status = NF_INQ_VARID( WRFid(fileNo), 'ZNW', varid)\n status = status + NF_GET_VARA_REAL( WRFid(fileNo), varid, start, count, VGLVS3D)\n if( status.ne. 0 ) then\n write(*,'(''**ERROR** Reading vertical sigma values from ZNW variable'')')\n rstatus = .false.\n return\n endif\n\n !! set time and date variables\n status = NF_GET_ATT_TEXT( WRFid(fileNo), NF_GLOBAL, 'START_DATE', dateStr )\n status = status + NF_GET_ATT_REAL( WRFid(fileNo), NF_GLOBAL, 'DT', tstep)\n if( status.ne. 0 ) then\n write(*,'(''**ERROR** Reading required map projection variables'')')\n rstatus = .false.\n return\n endif\n \n read(dateStr,'(i4,1x,i2,1x,i2,1x,i2,1x,i2,1x,i2)',iostat=status) year,month,day,hour,minute,second\n if( status.ne.0 ) then\n write(*,'(''**ERROR** Reading starting date string:'',a)') TRIM(dateStr)\n rstatus = .false.\n return\n endif\n \n if (MXREC3D.eq.1) then !only one time step, set TSTEP3D to a nominal value of 10000\n\n TSTEP3D = 10000\n jday = JULIAN(year, month, day)\n SDATE3D = 1000*year + jday\n STIME3D = 10000*hour + 100*minute + second\n \n else !determine TSTEP3D from the first two values of the \"Times\" character variable\n\n\n status = NF_INQ_VARID( WRFid(fileNo), 'Times', varid)\n if( status.ne. 0 ) then\n write(*,'(a)') '**ERROR** Reading variable Times'\n rstatus = .false.\n return \n endif\n\n start = (/ 1, 1, 0, 0 /)\n count = (/ NCHARDATE, MXREC3D, 0, 0 /)\n\n allocate(timestamp(MXREC3D))\n \n status = NF_GET_VARA_TEXT( WRFid(fileNo), varid, start, count, timestamp)\n if( status.ne. 0 ) then\n write(*,'(a)') '**ERROR** Reading variable Times'\n deallocate(timestamp)\n rstatus = .false.\n return \n endif\n\n read(timestamp(1),'(i4,1x,i2,1x,i2,1x,i2,1x,i2,1x,i2)',iostat=status) year,month,day,hour,minute,second\n if( status.ne.0 ) then\n write(*,'(''**ERROR** Reading first timestamp string:'',a)') TRIM(timestamp(1))\n rstatus = .false.\n return\n endif\n\n jday = JULIAN(year, month, day)\n jdate1 = 1000*year + jday\n jtime1 = 10000*hour + 100*minute + second\n\n SDATE3D = jdate1 !use the first time step in the file, rather than the simulation start stored in START_DATE\n STIME3D = jtime1\n\n read(timestamp(2),'(i4,1x,i2,1x,i2,1x,i2,1x,i2,1x,i2)',iostat=status) year,month,day,hour,minute,second\n if( status.ne.0 ) then\n write(*,'(''**ERROR** Reading second timestamp string:'',a)') TRIM(timestamp(2))\n rstatus = .false.\n return\n endif\n\n jday = JULIAN(year, month, day)\n jdate2 = 1000*year + jday\n jtime2 = 10000*hour + 100*minute + second\n \n TSTEP3D = SEC2TIME( INT(SECSDIFF(jdate1,jtime1,jdate2,jtime2)) )\n \n deallocate(timestamp)\n \n endif\n\n !! set array of variables\n NVARS3D = 0\n VNAME3D = ' '\n UNITS3D = ' '\n VDESC3D = ' '\n\n ! build array of required dimensions for variable match\n do n = 1, SIZE(reqDimNa3D)\n status = status + NF_INQ_DIMID( WRFid(fileNo), reqDimNa3D(n), reqDimid3D(n) )\n enddo\n do n = 1, SIZE(reqDimNa2D)\n status = status + NF_INQ_DIMID( WRFid(fileNo), reqDimNa2D(n), reqDimid2D(n) )\n enddo\n\n if( status.ne. 0 ) then\n write(*,'(''**ERROR** Reading WRF required dimensions'')')\n rstatus = .false.\n return\n endif\n\n\n ! get number of variables in WRF file\n status = NF_INQ_NVARS( WRFid(fileNo), nvars )\n\n !! loop thru variables and record variables with dimensions\n !! (Time, bottom_top, south_north, west_east)\n do n = 1, nvars\n status = NF_INQ_VAR( WRFid(fileNo), n, name, xtype, ndims, dimids, natts )\n\n match = .false.\n\n !! check 3D variables for match\n if( ndims.eq.SIZE(reqDimid3D) ) then \n match = .true.\n do i = 1, SIZE(reqDimid3D)\n if( reqDimId3D(i) .ne. dimids(i) ) match = .false.\n enddo\n endif\n\n !! check 2D variables for match\n if( ndims.eq.SIZE(reqDimid2D) ) then \n match = .true.\n do i = 1, SIZE(reqDimid2D)\n if( reqDimId2D(i) .ne. dimids(i) ) match = .false.\n enddo\n endif\n\n !! if match add variable to list\n if( match ) then\n NVARS3D = NVARS3D + 1\n if( NVARS3D .gt. MXVARS3 ) then\n write(*,'(''**ERROR** Number of variables exceed maximum'')')\n rstatus = .false.\n return\n endif\n\n VNAME3D( NVARS3D ) = name\n VTYPE3D( NVARS3D ) = M3REAL\n status = status + NF_GET_ATT_TEXT( WRFid(fileNo), n, 'units', UNITS3D(NVARS3D) )\n status = status + NF_GET_ATT_TEXT( WRFid(fileNo), n, 'description', VDESC3D(NVARS3D) )\n\n !! replace null with spaces\n if( ICHAR(UNITS3D(NVARS3D)(1:1)) .eq. 0 ) UNITS3D(NVARS3D) = ' '\n if( ICHAR(VDESC3D(NVARS3D)(1:1)) .eq. 0 ) VDESC3D(NVARS3D) = ' '\n\n endif\n\n if( status.ne. 0 ) then\n write(*,'(''**ERROR** Reading WRF variable units and descriptions'')')\n rstatus = .false.\n return\n endif\n\n enddo ! variables loop\n\n rstatus = .true. \n \n return\n end Function WRF_DESC\n\n\n \n\n !****************************************************************************\n ! routine to set map projection\n !****************************************************************************\n Subroutine SetMapProj(gdtype, alpha, beta, gamma, xcent, ycent)\n \n USE M3UTILIO\n\n IMPLICIT NONE\n\n ! arguments\n Integer gdtype\n Real alpha, beta, gamma, xcent, ycent\n\n\n ! check for LAT/LON projection\n if( gdtype .eq. 1 ) then\n return\n endif\n\n ! check for lambert projection\n if( gdtype .eq. 2 ) then\n if( .NOT. SETLAM( alpha, beta, gamma, xcent, ycent) ) then\n Call m3exit ('combine', 0, 0, 'Lambert projection setup error', xstat2)\n endif\n return\n endif\n\n ! check for polste projection\n if( gdtype .eq. 6 ) then\n if( .NOT. SETPOL( alpha, beta, gamma, xcent, ycent) ) then\n Call m3exit ('combine', 0, 0, 'polar stereographic projection setup error', xstat2)\n endif\n return\n endif\n\n ! check for equatorial secant mercator projection\n if( gdtype .eq. 7 ) then\n if( .NOT. SETEQM( alpha, beta, gamma, xcent, ycent) ) then\n Call m3exit ('combine', 0, 0, 'equatorial mercator projection setup error', xstat2)\n endif\n return\n endif\n\n Call m3exit ('combine', 0, 0, 'Map projection setup error', xstat2)\n\n end Subroutine SetMapProj\n\n\n !****************************************************************************\n ! routine to compute map projection from LAT/LON\n !****************************************************************************\n Subroutine ToProj(gdtype, longitude, latitude, x, y)\n\n USE M3UTILIO\n\n IMPLICIT NONE\n\n ! arguments\n Integer gdtype\n Real longitude, latitude, x, y\n\n ! check for LAT/LON projection\n if( gdtype .eq. 1 ) then\n x = longitude\n y = latitude\n return\n endif\n\n ! check for lambert projection\n if( gdtype .eq. 2 ) then\n if(.NOT.LL2LAM(longitude, latitude, x, y) ) then\n Call m3exit('combine', 0, 0, 'Lat/Lon to Lambert error', xstat2)\n endif\n return\n endif\n\n ! check for polste projection\n if( gdtype .eq. 6 ) then\n if(.NOT.LL2POL(longitude, latitude, x, y) ) then\n Call m3exit('combine', 0, 0, 'Lat/Lon to polar stereographic error', xstat2)\n endif\n return\n endif\n\n ! check for equatorial mercator projection\n if( gdtype .eq. 7 ) then\n if(.NOT.LL2EQM(longitude, latitude, x, y) ) then\n Call m3exit('combine', 0, 0, 'Lat/Lon to equatorial mercator error', xstat2)\n endif\n return\n endif\n\n Call m3exit ('combine', 0, 0, 'Map projection setup error', xstat2)\n\n end Subroutine ToProj\n\n\n\n !****************************************************************************\n ! routine to compute LAT/LON from map projection\n !****************************************************************************\n Subroutine ToLL(gdtype, x, y, longitude, latitude)\n\n USE M3UTILIO\n\n IMPLICIT NONE\n\n ! arguments\n Integer gdtype\n Real longitude, latitude, x, y\n\n ! check for LAT/LON projection\n if( gdtype .eq. 1 ) then\n longitude = x\n latitude = y\n return\n endif\n\n ! check for lambert projection\n if( gdtype .eq. 2 ) then\n if(.NOT.LAM2LL(x, y, longitude, latitude) ) then\n Call m3exit('combine', 0, 0, 'Lat/Lon to Lambert error', xstat2)\n endif\n return\n endif\n\n ! check for polste projection\n if( gdtype .eq. 6 ) then\n if(.NOT.POL2LL(x, y, longitude, latitude) ) then\n Call m3exit('combine', 0, 0, 'Lat/Lon to polar stereographic error', xstat2)\n endif\n return\n endif\n\n ! check for equatorial mercator projection\n if( gdtype .eq. 7 ) then\n if(.NOT.EQM2LL(x, y, longitude, latitude) ) then\n Call m3exit('combine', 0, 0, 'Lat/Lon to equatorial mercator error', xstat2)\n endif\n return\n endif\n\n Call m3exit ('combine', 0, 0, 'Map projection setup error', xstat2)\n\n end Subroutine ToLL\n\n END MODULE M3FILES\n" }, { "path": "POST/combine/src/module_specdef.F", "content": "!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/work/rep/TOOLS/src/combine/module_specdef.F,v 1.1.1.1 2005/07/27 12:55:20 sjr Exp $\n\nC***********************************************************************\nC module to read, process and store the species definitions\nC***********************************************************************\n\n Module spec_def\n\n Integer, Parameter, Private :: EXP_LEN = 1024\n Integer, Parameter, Private :: REC_LEN = EXP_LEN * 2\n \n Integer, Public :: numSpec\n Integer, Public :: maxSpec\n\n Integer, Public :: Klayer\n \n CHARACTER*(16), Allocatable, Public :: specName(:)\n CHARACTER*(16), Allocatable, Public :: specUnits(:)\n CHARACTER*(EXP_LEN), Allocatable, Public :: specExpression(:)\n CHARACTER*(EXP_LEN), Allocatable, Public :: specDesc(:)\n\n Public :: ReadSpec\n\n Private\n Interface \n Subroutine getFld( record, delimiter, nth, del, field, exception )\n CHARACTER*(*), Intent( In ) :: record\n CHARACTER*(*), Intent( In ) :: delimiter\n CHARACTER, Intent( Out ) :: del\n Integer, Intent( In ) :: nth\n CHARACTER*(*), Intent( Out ) :: field\n CHARACTER*(*), Optional, Intent( In ) :: exception\n End Subroutine getFld\n INTEGER FUNCTION getFldCount(record, delimiter, exception) Result(nfields)\n CHARACTER*(*), Intent( In ) :: record\n CHARACTER*(*), Intent( In ) :: delimiter\n CHARACTER*(*), Optional, Intent( In ) :: exception\n End FUNCTION getFldCount\n Subroutine LeftTrim( STRING )\n CHARACTER*(*), INTENT( INOUT ) :: STRING\n End Subroutine LeftTrim\n Subroutine RightTrim( STRING )\n CHARACTER*(*), INTENT( INOUT ) :: STRING\n End Subroutine RightTrim\n SUBROUTINE UCASE ( STR )\n CHARACTER, INTENT( INOUT ) :: STR*( * )\n END SUBROUTINE UCASE\n Subroutine replace( string, old, new )\n Character*(*), Intent( InOut ) :: string\n Character*(1), Intent( In ) :: old \n Character*(1), Intent( In ) :: new \n End Subroutine replace \n SUBROUTINE Remove_WhiteSpaces (text)\n CHARACTER*(*), Intent( InOut ) :: text\n END SUBROUTINE Remove_WhiteSpaces\n End Interface\n \n Contains\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc subroutine to read and load SPECFILE\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n Subroutine readSpec( specFile, status )\n\n USE M3UTILIO\n USE M3FILES\n\n IMPLICIT NONE\n\n ! arguments\n CHARACTER*(*) specFile\n Integer status\n\n ! define external functions\n! Integer getFldCount\n\n ! local variables\n Integer lfn\n Integer iostatus\n Character*(REC_LEN) record\n Character*(REC_LEN) NextRecord\n Character*(REC_LEN) field\n Character*(1) del\n Integer nflds\n Integer lenRec\n Integer sDate, sTime\n Integer eDate, eTime\n\n lfn = 20\n sDate = 0\n sTime = 0\n eDate = 0\n eTime = 0\n Klayer = -1\n numSpec = 0\n maxSpec = MXVARS3\n\n ! allocate species arrays\n if( .not. Allocated(specName) ) then\n Allocate( specName(maxSpec) )\n Allocate( specUnits(maxSpec) )\n Allocate( specExpression(maxSpec) )\n Allocate( specDesc(maxSpec) )\n endif\n \n ! open species definition file and fill arrays\n OPEN( UNIT=lfn, FILE=specFile, STATUS='OLD', IOSTAT=status)\n if( status.ne.0 ) return\n\n ! start read loop\n Do\n\n READ( lfn, '(a)', IOSTAT=iostatus ) RECORD\n IF( iostatus.ne.0 ) EXIT\n \n ! check for blank line\n IF ( ( LEN_TRIM(record) .eq. 0 ) .or. ( RECORD .eq. ' ' ) ) CYCLE\n\n ! check for cr character at end of line, and remove it if found\n lenRec = LEN_TRIM(record) \n if( record(lenRec:lenRec) .eq. char(13) ) record(lenRec:lenRec) = ' '\n\n ! check for comment line\n IF ( index( '!/', RECORD(1:1) ) .gt. 0 ) CYCLE\n\n ! Check for parameter values\n IF ( RECORD( 1:1 ) .EQ. '#' ) THEN\n field = RECORD(2:8)\n CALL UCASE(field)\n IF ( field( 1:5 ) .EQ. 'START' )\n & READ( RECORD(7:), *, IOSTAT=status ) sDate, sTime\n IF ( field( 1:3 ) .EQ. 'END' )\n & READ( RECORD(5:), *, IOSTAT=status ) eDate, eTime\n IF ( field( 1:5 ) .EQ. 'LAYER' )\n & READ( RECORD(7:), *, IOSTAT=status ) Klayer\n\n if( status.ne.0 ) then\n Write(*,'(''Invalid parameter record:'',a)') trim(record)\n return \n endif\n\n CYCLE\n ENDIF\n\nC...check if starting or ending dates where defined\n if( sDate .ne. 0 ) then\n if( SECSDIFF (startDate, startTime, sDate, sTime) .gt. 0 ) then\n startDate = sDate \n startTime = sTime \n endif\n endif\n\n if( eDate .ne. 0 ) then\n if( SECSDIFF (endDate, endTime, eDate, eTime) .lt. 0 ) then\n endDate = eDate \n endTime = eTime \n endif\n endif\n\nC...check for old specdef format\n if( index(record, ',').eq.0 .and. index(record, '=').eq.30) then\n Write(*,'(/''**Warning** Invalid Record,'',\n & '' Trying old Format''/)')\n Call readOld(lfn, status)\n return\n endif\n\nC...append any continuation records \n DO\n ! check for '\\' character at end of line\n lenRec = LEN_TRIM(record) \n if( record(lenRec:lenRec) .eq. char(92) ) then\n READ( lfn, '(a)', IOSTAT=iostatus ) NEXTRECORD\n if( iostatus.ne.0 ) then\n Write(*,'(''**ERROR** EOF reading continuation record'')')\n EXIT\n endif\n Call LeftTrim( NEXTRECORD )\n \n ! check for record length exceeded\n if( (lenRec + LEN_TRIM(NEXTRECORD)) .ge. REC_LEN ) then\n Write(*,'(//,''**ERROR** The maximum record length exceeded'')')\n Write(*,'(/,'' Species name ='',a)') record(1:16)\n Write(*,'('' Maximum length ='',i8)') REC_LEN\n Write(*,'('' Record length = '',i8)') lenRec + LEN_TRIM(NEXTRECORD)\n Stop\n endif\n\n ! append NEXTRECORD to record\n record = record(1:lenRec-1) // ' ' // TRIM(NEXTRECORD)\n\n ! check for cr character at end of line, and remove it if found\n lenRec = LEN_TRIM(record) \n if( record(lenRec:lenRec) .eq. char(13) ) record(lenRec:lenRec) = ' ' \n\n else\n EXIT\n endif\n Enddo \n if( iostatus.ne.0 ) EXIT \n\n\nC...check for species line\n nflds = getFldCount(record, ',')\n if( nflds.lt.3 ) then\n Write(*,'(''Invalid record found:'',a)') trim(record)\n Stop\n endif\n\n ! check for maximum species count\n if(numSpec.eq.maxSpec) then\n Write(*,'(''**ERROR** the number of species exceeds maximum'')')\n Stop \n endif\n \n ! save species line in arrays\n numSpec = numSpec+1 \n\n call getFld( record, ',', 1, del, specName(numSpec) ) \n call getFld( record, ',', 2, del, specUnits(numSpec) ) \n call getFld( record, ',', 3, del, field ) \n specExpression(numSpec) = field\n call getFld( record, ',', 4, del, specDesc(numSpec) ) \n if( specDesc(numSpec).eq.' ' ) specDesc(numSpec) = specExpression(numSpec)\n \n ! check if expression field is too long\n if( LEN_TRIM( field) .gt. EXP_LEN ) then \n Write(*,'(//,''**ERROR** The maximum expression length exceeded'')')\n Write(*,'(/,'' Species name ='',a)') TRIM( specName(numSpec) )\n Write(*,'('' Maximum length ='',i8)') EXP_LEN\n Write(*,'('' Expression length = '',i8)') LEN_TRIM(field)\n Stop\n endif \n \n enddo \n\n ! close file and return\n close(unit=lfn)\n return\n End Subroutine readSpec \n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc subroutine to read using old SPECFILE format\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n Subroutine readOld( lfn, status )\n \n IMPLICIT NONE\n\n ! arguments\n Integer lfn\n Integer status\n\n ! local variables \n character*(256) record\n Integer iostatus, reclen\n character*(16) field1 ! new variable name\n character*(16) field2 ! variable units\n character*(1) field3 ! operator symbol\n character*(8) field4 ! muliply factor\n character*(1) field5 ! input file number\n character*(16) field6 ! input variable\n character*(70) field7 ! description\n Logical isnew\n character*(EXP_LEN) express\n\n\n backspace lfn\n\n ! start read loop\n Do\n\n READ( lfn, '(a)', IOSTAT=iostatus ) RECORD\n IF( iostatus.ne.0 ) EXIT\n\n ! check for comment line\n IF ( index( '!/#', RECORD(1:1) ) .gt. 0 ) CYCLE\n\n ! check for blank line\n reclen = LEN_TRIM( RECORD)\n if( reclen .le. 2 ) CYCLE\n\n if( RECORD(reclen:reclen).lt.' ') then\n RECORD(reclen:reclen) = ' '\n if( LEN_TRIM( RECORD) .eq. 0 ) CYCLE\n endif\n\n Call readRec(record, field1, field2, field3, field4,\n & field5, field6, field7, status)\n if(status .ne. 0) then\n write(*,'(''<<---- Invalid species record ---->>'')')\n write(*,'(''>>'',a,''<<'',//)') trim(record)\n return\n endif\n\n Call LeftTrim( field4 ) ! left trim number field\n\n !determine if record has new variable \n ISNEW = (LEN_TRIM(field1) .gt. 0)\n\n if( ISNEW ) then\n IF ( numSpec .EQ. maxSpec ) return\n numSpec = numSpec + 1\n\n specName(numSpec) = field1\n specUnits(numSpec) = field2\n specExpression(numSpec) = '(' // TRIM(field4) // '*'\n & // TRIM(field6) // '[' // field5 // '])'\n specDesc(numSpec) = field7\n cycle\n endif\n\n ! if no specName defined cycle\n if( numSpec .EQ. 0 ) cycle\n\n ! add to previous species expression\n express = field3 // '(' // TRIM(field4) // '*'\n & // TRIM(field6) // '[' // field5 // ']))'\n specExpression(numSpec) = '(' // TRIM(specExpression(numSpec))\n & // TRIM(express)\n\n enddo \n\n ! generate new specfile using new format\n Call genNewFile()\n\n return\n end Subroutine readOld\n\n\nC***********************************************************************\nC routine to read variable record, (formated or unformatted)\nC***********************************************************************\n Subroutine readRec(record, field1, field2, field3, field4,\n & field5, field6, field7, status)\n\n ! arguments\n character*(*) record\n character*(*) field1 ! new variable name\n character*(*) field2 ! variable units\n character*(*) field3 ! operator symbol\n character*(*) field4 ! muliply factor\n character*(*) field5 ! input file number\n character*(*) field6 ! input variable\n character*(*) field7 ! description\n integer status\n\n ! local variables\n logical ISFMT\n Real factor\n Integer stat, kfile\n character*(1) del\n\n\n status = 0\n\n !determine if record is formatted or unformatted\n ISFMT = .TRUE. \n if( index('=+-*/',record(30:30)).eq.0 ) ISFMT = .FALSE.\n if( index(record(1:58),',').gt. 0 ) ISFMT = .FALSE.\n\n ! get input files from record\n if( ISFMT ) then \n field1 = record(2:17)\n field2 = record(19:28)\n field3 = record(30:30)\n field4 = record(32:39)\n field5 = record(41:41)\n field6 = record(43:58)\n field7 = record(60:129)\n else\n Call getFld( record, ',', 1, del, field1 )\n Call getFld( record, ',', 2, del, field2 )\n Call getFld( record, ',', 3, del, field3 )\n Call getFld( record, ',', 4, del, field4 )\n Call getFld( record, ',', 5, del, field5 )\n Call getFld( record, ',', 6, del, field6 )\n Call getFld( record, ',', 7, del, field7 )\n endif\n\n ! verify fields\n if( index('=+*/',field3) .eq. 0 ) status = 3\n read(field4,'(f8.0)',iostat=stat) factor\n if( stat.ne.0 ) status = 4\n read(field5,'(I1)',iostat=stat) kfile\n if( stat.ne.0 ) status = 5\n if( LEN_TRIM(field6) .eq. 0 ) status = 6\n\n return\n end Subroutine readRec\n \n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc subroutine to generate new SPECFILE from array data\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n Subroutine genNewFile()\n \n USE M3UTILIO\n \n IMPLICIT NONE\n\nC... local variables\n Character*(256) specFile\n INTEGER STATUS\n INTEGER lfn\n INTEGER n\n CHARACTER*1 REPLACE \n\nC...open variable definition file\n lfn = 21\n specFile = 'specdef.new'\n \n OPEN( UNIT=lfn, FILE=SpecFile, STATUS='NEW', IOSTAT=status )\n If(status.ne.0) then\n\n Write(*,'(/''New SPECDEF file: ['',a,\n & ''] cannot be opened as \"NEW\"'')') TRIM(SpecFile)\n Write(*,'(''Do you want to replace existing? (Y/N) '',$)')\n Read(*,'(a)') replace\n if( replace.ne.'Y' .and. replace.ne.'y' ) return\n\n OPEN( UNIT=lfn, FILE=SpecFile, IOSTAT=status )\n if( status.ne.0 ) then\n Write(*,'(/''**ERROR** cannot open new SPECDEF file: ['',\n & a,'']'')') TRIM(SpecFile)\n return\n endif\n endif\n\n ! write header records\n write(lfn,'(''/#start YYYYDDD HHMMSS'')')\n write(lfn,'(''/#end YYYYDDD HHMMSS'')')\n write(lfn,'(''/#layer KLAY (default is all layers)'')')\n write(lfn,'(''/'')')\n write(lfn,'(''/new species ,units ,expression'')')\n\n do n = 1, numSpec\n Write(lfn,'(/a16,'', '',a16,'', '',a,'', '',a)')\n & specName(n), specUnits(n), TRIM(specExpression(n)), TRIM(specDesc(n))\n enddo\n\n close(unit=lfn)\n\n write(*,'(/''-->New specdef file:['',a,\n & ''] generated from old format''/)') trim(specFile)\n\n return \n END Subroutine genNewFile\n\n End Module spec_def\n" }, { "path": "POST/combine/src/utils.F", "content": "!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/work/rep/TOOLS/src/combine/utils.F,v 1.1.1.1 2005/07/27 12:55:20 sjr Exp $\n\n\nC***********************************************************************\nC Returns the nth field of record\nC***********************************************************************\n Subroutine getFld( record, delimiter, nth, del, field, exception )\n\n IMPLICIT NONE\n\n CHARACTER*(*), Intent( In ) :: record\n CHARACTER*(*), Intent( In ) :: delimiter\n CHARACTER, Intent( Out ) :: del\n Integer, Intent( In ) :: nth\n CHARACTER*(*), Intent( Out ) :: field\n CHARACTER*(*), Optional, Intent( In ) :: exception\n\n Integer nfields\n Integer i, j, pos1\n Integer nrec, nskip\n\n pos1 = 1\n nfields = 0\n del = delimiter(1:1)\n field = ''\n nrec = LEN(record)\n\n If( Present( exception ) )Then\n nskip = Len_Trim( exception )\n Else\n nskip = 0\n End If\n\n Loop_record: Do i=1, nrec\n If( index( delimiter,record(i:i) ) .gt. 0 )Then\n If( i .gt. 1 .And. nskip .Gt. 0 )Then\n Do j = 1, nskip\n If(record(i-1:i-1) .Eq. exception(j:j))Cycle Loop_record\n End Do\n End If\n nfields = nfields+1 \n If( nfields .eq. nth )Then\n If(pos1.le.i) field = record(pos1:i-1)\n call LeftTrim(field)\n call RightTrim(field)\n return\n End If\n del = record(i:i)\n pos1 = i+1\n End If\n End Do Loop_record\n\n nfields = nfields+1 \n\n ! check If last field\n If( nfields .eq. nth ) Then\n field = record(pos1:)\n End If\n\n Call LeftTrim(field)\n Call RightTrim(field)\n Return\n End Subroutine getFld\n \n\n \nC***********************************************************************\nC Returns the number of parsed fields in record\nC***********************************************************************\n INTEGER FUNCTION getFldCount(record, delimiter, exception)\n & result(nfields)\n\n IMPLICIT NONE\n \n CHARACTER*(*), Intent( In ) :: record\n CHARACTER*(*), Intent( In ) :: delimiter\n CHARACTER*(*), Optional, Intent( In ) :: exception\n\n Integer i, j\n Integer nskip, nrec\n Logical isDel\n\n nfields = 0\n\n If( Present( exception ) )Then\n nskip = Len_Trim( exception )\n Else\n nskip = 0\n End If\n\n nrec = LEN_TRIM(record)\n If( nrec.gt.0 ) nfields = 1\n\n Loop_record: Do i=1,nrec\n isDel = ( index(delimiter, record(i:i)) .gt. 0 ) \n If( isDel ) Then\n If( i .gt. 1 .And. nskip .Gt. 0 )Then\n Do j = 1, nskip\n If( record(i-1:i-1) .Eq. exception(j:j))Then\n Cycle Loop_record \n End If \n End Do\n End If\n nfields = nfields+1\n cycle\n End If\n End Do Loop_record\n\n Return\n End FUNCTION getFldCount\n\nC***********************************************************************\nC routine to remove leading blank spaces from Character String\nC***********************************************************************\n Subroutine LeftTrim( STRING )\n\n IMPLICIT NONE\n\n CHARACTER*(*), INTENT( INOUT ) :: STRING\n Integer I\n\n Do I=1,LEN(STRING)\n If(STRING(I:I) .ne. CHAR(32)) Then\n STRING = STRING(I:)\n RETURN\n EndIf \n EndDo\n\n Return\n End Subroutine LeftTrim\n\n\nC***********************************************************************\nC routine to remove trailing white spaces from Character String\nC***********************************************************************\n Subroutine RightTrim( STRING )\n \n IMPLICIT NONE\n \n CHARACTER*(*), INTENT( INOUT ) :: STRING\n Integer I\n \n Do I=LEN(STRING),1,-1\n If(STRING(I:I) .lt. CHAR(32)) STRING(I:I) = CHAR(32)\n If(STRING(I:I) .gt. CHAR(32)) Exit\n EndDo\n\n Return\n End Subroutine RightTrim\n \n\nC***********************************************************************\nC Routine to change character string to upper characters\nC***********************************************************************\n SUBROUTINE UCASE ( STR )\n\n IMPLICIT NONE\n\n CHARACTER, INTENT( INOUT ) :: STR*( * )\n INTEGER I\n INTEGER K\n\n DO I = 1, LEN(STR)\n K = ICHAR(STR(I:I))\n IF ( ( K .GE. 97 ) .AND. ( K .LE. 122 ) )\n & STR( I:I ) = CHAR( K - 32 )\n END DO\n\n RETURN\n END SUBROUTINE UCASE\n\nC****************************************************************************\nC routine to replace characters within []\nC****************************************************************************\n Subroutine replace( string, old, new )\n\n Implicit none\n\n ! arguments\n Character*(*), Intent( InOut ) :: string\n Character*(1), Intent( In ) :: old \n Character*(1), Intent( In ) :: new \n\n ! local variables\n Integer last, i\n Logical infield\n\n ! If no bracket marks, return\n If( index(string, '[').le.0 ) return\n\n call LeftTrim(string)\n last = LEN_TRIM(string)\n\n ! check for blank string\n If( last.le.0 ) return\n\n infield = .false.\n\n Do i=1,last\n If( string(i:i).eq.'[' ) infield = .true.\n If( string(i:i).eq.']' ) infield = .false.\n\n If( infield .and. string(i:i).eq.old) string(i:i) = new\n\n End Do\n\n Return\n End Subroutine replace \n SUBROUTINE Remove_WhiteSpaces (text)\n Implicit None\n\n CHARACTER*(*), Intent( InOut ) :: text\n CHARACTER(Len(text)) :: outs ! provide outs with extra 100 char len\n INTEGER :: i, nt\n\n nt = LEN_TRIM(text)\n If( text(1:1) .Eq. ' ' )Then\n outs = text(2:nt)\n nt = nt-1\n Else\n outs = text(1:nt)\n End If\n i = 2\n DO \n nt = LEN_TRIM(outs)\n IF (i .Eq. nt ) EXIT\n IF( outs(i:i) .Eq. ' ' )THEN\n outs = outs(1:i-1) // outs(i+1:nt)\n ELSE\n i = i + 1\n END IF\n END DO\n text = outs\n END SUBROUTINE Remove_WhiteSpaces\n" }, { "path": "POST/hr2day/README.md", "content": "hr2day\n========\n\nThis Fortran program creates gridded IOAPI files with daily values from gridded IOAPI files containing hourly values.\n\n## Environment Run Time Variables:\n\n```\n USELOCAL use local time when computing daily values (default N)\n USEDST use daylight savings time when computing daily values (default N)\n TZFILE location of time zone data file, tz.csv (this is a required input file)\n The time zone file has a header record for each time zone followed by\n the points in longitude/latitude that define its boundary polygon.\n * Header record (%d,%d,%s): n points in polygon,hour offset,description\n * Point records (%.4f,%.4f): longitude,latitude\n Two time zone files are provided with hr2day:\n * tz_legacy.csv: Old file with unknown source and some known issues.\n * tz.csv was created 2023-06-09 by Barron H. Henderson from the\n the Natural Earth time zone shapefile (v4.1.0) at 10m resolution.\n Shapefil available from https://www.naturalearthdata.com/\n PARTIAL_DAY allow use of partial days when computing daily values. If this is set to N, \n the program will require at least 18 out of 24 values to be present in the \n time zone of interest to compute a daily value (default N)\n START_HOUR starting hour to use when computing daily values (default 0)\n END_HOUR ending hour to use when computing daily values (default 23)\n HOURS_8HRMAX Number of 8hr values to use when computing daily maximum 8hr ozone.\n Allowed values are 24 (use all 8-hr averages with starting hours \n from 0 - 23 hr local time) and 17 (use only the 17 8-hr averages\n with starting hours from 7 - 23 hr local time) (default is 24)\n M3_FILE_# List of input IOAPI file names with hourly values.\n If only a single input file is provided, INFILE can be used instead of\n\t M3_FILE_1.\n The program will concatenate time steps from all input files to construct the\n\t longest possible time record which can be processed. Duplicate time steps are\n\t eliminated.\n\t The maximum number of IOAPI files is set to be one less than the global IOAPI parameter MXFILE3.\n\t Since this parameter is currently set to 64 (https://www.cmascenter.org/ioapi/documentation/all_versions/html/TUTORIAL.html),\n\t the maximum number of IOAPI input files is 63.\n\t Supported map projections are Lambert conformal, polar\n\t stereographic, and lat/lon\n OUTFILE output IOAPI file name with computed daily values\n SPECIES_# Defines the name, units, expression and daily operation for each variable in OUTFILE. For configuration options see below. \n```\n\n## Environment Run Time Variables (not required):\n```\n IOAPI_ISPH projection sphere type (use type #20 to match WRF/CMAQ)\n (ioapi default is 8)\n START_DATE Optional desired first and last processing date.\n END_DATE The program will adjust the requested dates if the desired range is not covered\n by the input file(s). If these dates are not specified, the processing will be\n\t performed for the longest possible time record that can be derived from the\n\t model input file(s). \n```\n\n## Species and operator definitions: \nDefines the name, units, expression and daily operation for each variable in OUTFILE. These definitions are specified by environment variables SPECIES_[n]\n\n```\n format: SPECIES_1 = \"[variable1_name], [variable1_units], [model_expression1], [operation1]\"\n SPECIES_2 = \"[variable2_name], [variable2_units], [model_expression2], [operation2]\"\n \n variable[n]_name: desired name of the daily output variable, maximum 16 characters\n \n variable[n]_units: units of the daily output variable, maximum 16 characters\n \n model_expression[n]: Formular expressions supports operators +-*/ and are evaluated from \n left to right using precedence order of */+-. Order of evaluation can \n be forced by use of parentheses. When part of an expression is enclosed \n in parentheses, that part is evaluated first. Other supported functions \n include \"LOG\", \"EXP\", \"SQRT\", and \"ABS\". In addition, expresssions can be \n combined to create conditional statements of the form: \n \"expression_for_condition ? expresssion_if_true : expression_if_false\". \n \n operation[n]: daily operation to perform. Options are\n \n SUM - sums the 24 hour values\n AVG- sums the 24 values and divides by 24\n MIN- uses the minimum hourly value\n MAX- uses the maximum hourly value\n HR@MIN - hour of the minimum hourly value\n HR@MAX - hour of the maximum hourly value\n @MAXT - uses the hourly value at maximum temperature\n MAXDIF - uses the maximum hourly change\n 8HRMAX - uses the maximum 8 hour period\n W126 - computes the W126 daily index value as a weighted average of ozone concentrations between 8am & 7pm. These daily index values can then be used to calculate annual W126 values for the secondary ozone standard by first computing 3-month sums of daily W126 index values and then determining the consecutive three month period with the largest 3-month sum of daily W126 values.\n @8HRMAXO3 - averages the value within the 8-hr-max ozone period\n HR@8HRMAX - Starting hour of the 8-hr-max period \n SUM06 - computes the SUM06 ozone value\n TZ - outputs the time zone offset used by hr2day. For example, a cell in Eastern Standard Time (UTC-0500) would output -5.\n \n examples:\n \n setenv SPECIES_1 \"O3,ppbV,1000*O3,8HRMAX\" (computes the 8-hr daily maximum value of 1000 * O3 from INFILE \n (assumed to be in ppmV) and writes the result to OUTFILE as O3 \n with units ppbV)\n setenv SPECIES_2 \"ASO4J_AVG,ug/m3,ASO4J,AVG\" (computes the 24-hr average value of ASO4J from INFILE \n (assumed to be in ug/m3) and writes the result to OUTFILE as \n ASO4J_AVG with units ug/m3)\n setenv SPECIES_3 \"ASO4J_MAX,ug/m3,ASO4J,MAX\" (computes the daily maximum value of ASO4J from INFILE \n (assumed to be in ug/m3) and writes the result to OUTFILE as \n ASO4J_MAX with units ug/m3)\n setenv SPECIES_4 \"UTCOFFSET,hours since UTC,O3,TZ\" (hr2day assigns each grid cell a time zone offset in hours\n since UTC from TZFILE. This writes the result to OUTFILE as\n UTCOFFSET with units hours since UTC. Although TZ does not\n use the expression (here O3), it must be a valid field to pass\n input checking.)\n```\n\n## Compile hr2day source code:\n\nExecute the build script to compile hr2day:\n\n```\ncd $CMAQ_HOME/POST/hr2day/scripts\n./bldit_hr2day.csh [compiler] [version] |& tee build_hr2day.log\n```\n\n## Run hr2day:\nEdit the sample run script (run.hr2day.make8hrmax), then run:\n\n```\n ./run.hr2day |& tee hr2day.log\n```\n\nCheck the log file to ensure complete and correct execution without errors.\n\n" }, { "path": "POST/hr2day/inputs/tz.csv", "content": "210,-10.0,Arctic 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Ocean\n-178.0515,-2.5094\n-178.5421,-2.5094\n-179.0177,-2.5094\n-179.5198,-2.5094\n-180.0000,-2.5094\n-180.0000,-2.1092\n-180.0000,-1.7472\n-180.0000,-1.3470\n-180.0000,-0.9993\n-180.0000,-0.5008\n-180.0000,-0.0008\n-180.0000,0.4992\n-180.0000,0.9992\n-180.0000,1.4992\n-180.0000,1.9992\n-180.0000,2.4992\n-180.0000,2.9992\n-180.0000,3.4991\n-180.0000,3.9991\n-180.0000,4.4991\n-180.0000,4.9991\n-180.0000,5.4991\n-180.0000,5.9991\n-180.0000,6.4991\n-180.0000,6.9991\n-180.0000,7.4991\n-180.0000,7.9991\n-180.0000,8.4991\n-180.0000,8.9991\n-180.0000,9.4991\n-180.0000,9.9991\n-180.0000,10.4991\n-180.0000,10.9991\n-180.0000,11.4991\n-180.0000,11.9991\n-180.0000,12.4991\n-180.0000,12.9991\n-180.0000,13.4991\n-180.0000,13.9991\n-180.0000,14.4991\n-180.0000,14.9991\n-180.0000,15.4991\n-180.0000,15.9991\n-180.0000,16.4991\n-180.0000,16.9991\n-180.0000,17.4990\n-180.0000,17.9990\n-180.0000,18.4990\n-180.0000,18.9990\n-180.0000,19.4990\n-180.0000,19.9990\n-180.0000,20.4990\n-180.0000,20.9990\n-180.0000,21.4990\n-180.0000,21.9990\n-180.0000,22.4990\n-180.0000,22.9990\n-180.0000,23.4990\n-180.0000,23.9990\n-180.0000,24.4990\n-180.0000,24.9990\n-180.0000,24.9990\n-179.9374,24.9990\n-179.4405,24.9990\n-178.9435,24.9990\n-178.4466,24.9990\n-177.9497,24.9990\n-177.4527,24.9990\n-176.9558,24.9990\n-176.4589,24.9990\n-175.9619,24.9990\n-175.4650,24.9990\n-174.9681,24.9990\n-174.4711,24.9990\n-173.9742,24.9990\n-173.4773,24.9990\n-172.9803,24.9990\n-172.4834,24.9990\n-172.4834,24.5094\n-172.4834,24.0197\n-172.4834,23.5301\n-172.4834,23.0404\n-172.4834,22.5508\n-172.4834,22.0508\n-172.4833,21.5508\n-172.4833,21.0509\n-172.4832,20.5509\n-172.4832,20.0509\n-172.4832,19.5509\n-172.4831,19.0509\n-172.4831,18.5510\n-172.4830,18.0510\n-172.4830,17.5510\n-172.4830,17.1293\n-172.4830,16.7075\n-172.4830,16.2858\n-172.4830,15.8640\n-172.4830,15.4423\n-172.4830,15.0205\n-172.5000,14.9991\n-172.5000,14.4991\n-172.5000,13.9991\n-172.5000,13.4991\n-172.5000,12.9991\n-172.5000,12.4991\n-172.5000,11.9991\n-172.5000,11.4991\n-172.5000,10.9991\n-172.5000,10.4991\n-172.5000,9.9991\n-172.5000,9.4991\n-172.5000,8.9991\n-172.5000,8.4991\n-172.5000,7.9991\n-172.5000,7.4991\n-172.5000,6.9991\n-172.5000,6.4991\n-172.5000,5.9991\n-172.5000,5.4991\n-172.5000,4.9991\n-172.5000,4.4991\n-172.5000,3.9992\n-172.5000,3.4992\n-172.5000,2.9992\n-172.5000,2.4992\n-172.5000,1.9992\n-172.5000,1.4992\n-172.5000,0.9992\n-172.5000,0.4992\n-172.5000,-0.0008\n-172.5000,-0.5008\n-172.5000,-1.0008\n-172.4955,-1.4321\n-172.4905,-1.9077\n-172.4842,-2.5094\n-173.0830,-2.5094\n-173.6095,-2.5094\n-174.1051,-2.5094\n-174.6213,-2.5094\n-175.0755,-2.5094\n-175.6123,-2.5094\n-176.1079,-2.5094\n-176.6447,-2.5094\n-177.1196,-2.5094\n-177.6358,-2.5094\n-178.0515,-2.5094\n87,-12.0,Baker Island, Howland Island (both 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2,47.8268\n47.3888,47.8119\n47.3894,47.7516\n47.3829,47.7054\n47.3742,47.6858\n47.3597,47.6833\n47.1745,47.7705\n47.1406,47.7927\n47.1238,47.8080\n47.1195,47.8198\n47.1252,47.8321\n47.1383,47.8496\n47.1452,47.8558\n47.1517,47.8591\n47.1567,47.8632\n47.1587,47.8715\n47.1553,47.8774\n47.1217,47.9154\n47.0512,47.9746\n47.0442,47.9862\n47.0584,47.9945\n47.1371,48.0273\n47.1782,48.0518\n47.1920,48.0718\n47.1739,48.0842\n47.1195,48.0883\n47.1036,48.1012\n47.1041,48.1192\n47.1116,48.1362\n47.1165,48.1539\n47.1088,48.1740\n47.1026,48.1803\n47.0803,48.1960\n47.0752,48.2051\n47.0815,48.2118\n47.0920,48.2173\n47.0986,48.2226\n47.1121,48.2416\n47.1121,48.2422\n47.1118,48.2510\n47.0989,48.2654\n47.0783,48.2753\n46.9792,48.2940\n46.7293,48.3521\n46.4793,48.4102\n46.4786,48.4102\n46.4783,48.4106\n46.4786,48.4112\n46.4793,48.4119\n46.6166,48.6630\n46.7538,48.9141\n46.7780,48.9360\n46.8129,48.9538\n46.8881,48.9805\n46.9110,48.9928\n46.9300,49.0040\n46.9792,49.0473\n47.0209,49.0968\n47.0400,49.1503\n47.0286,49.2015\n46.9792,49.2443\n46.8307,49.3183\n46.7751,49.3325\n46.8375,49.5764\n46.8999,49.8203\n46.9226,49.8614\n46.9586,49.8841\n47.1774,49.9472\n47.2456,49.9924\n47.3087,50.0448\n47.3286,50.0730\n47.3276,50.1093\n47.2731,50.1584\n47.2651,50.1863\n47.2763,50.1999\n47.3126,50.2224\n47.3223,50.2374\n47.3170,50.2529\n47.3032,50.2635\n47.2948,50.2754\n47.3057,50.2949\n47.3229,50.3045\n47.3922,50.3232\n47.4063,50.3342\n47.4389,50.3832\n47.4698,50.4118\n47.5115,50.4369\n47.5569,50.4526\n47.5993,50.4527\n47.6247,50.4408\n47.6900,50.3863\n47.7349,50.3701\n47.7491,50.3602\n47.7603,50.3472\n47.7669,50.3372\n47.7765,50.3298\n47.7960,50.3248\n47.8082,50.3199\n47.8545,50.2850\n47.8741,50.2664\n47.9134,50.2439\n47.9536,50.2049\n47.9932,50.1818\n48.0004,50.1697\n48.0051,50.1560\n48.0122,50.1421\n48.0247,50.1313\n48.0746,50.1053\n48.0964,50.0785\n48.1060,50.0506\n48.1125,50.0220\n48.1253,49.9930\n48.1322,49.9837\n48.1424,49.9638\n48.1493,49.9549\n48.1609,49.9465\n48.2004,49.9250\n48.2199,49.9015\n48.2271,49.8795\n48.2393,49.8648\n48.2740,49.8631\n48.3029,49.8667\n48.3122,49.8636\n48.3595,49.8340\n48.4176,49.8117\n48.4299,49.8097\n48.4428,49.8150\n48.4659,49.8358\n48.4791,49.8432\n48.6835,49.8955\n48.7846,49.9334\n48.8620,49.9929\n48.8782,50.0100\n48.8857,50.0199\n48.8859,50.0304\n48.8741,50.0698\n48.8655,50.0862\n48.8518,50.0973\n48.7828,50.1115\n48.7810,50.1376\n48.7890,50.1730\n48.7710,50.2110\n48.7289,50.2654\n48.7013,50.3346\n48.6744,50.4785\n48.6787,50.5485\n48.6734,50.5795\n48.6485,50.6016\n48.5974,50.6080\n48.5729,50.6169\n48.5683,50.6365\n48.5840,50.6496\n48.6088,50.6479\n48.7396,50.5975\n48.7863,50.5906\n48.8304,50.5960\n49.0127,50.6834\n49.1024,50.7580\n49.1441,50.7817\n49.2837,50.8037\n49.3694,50.8268\n49.4084,50.8483\n49.4237,50.8821\n49.4055,50.9135\n49.3715,50.9394\n49.3474,50.9643\n49.3591,50.9927\n49.3833,51.0194\n49.3927,51.0342\n49.4010,51.0671\n49.4106,51.0855\n49.4231,51.1020\n49.4365,51.1123\n49.4601,51.1162\n49.5397,51.1008\n49.7791,51.1022\n49.7959,51.1096\n49.8428,51.1507\n49.9869,51.2298\n50.0288,51.2430\n50.2075,51.2659\n50.3254,51.3035\n50.3423,51.3127\n50.3489,51.3226\n50.3474,51.3352\n50.3404,51.3529\n50.3376,51.3720\n50.3467,51.3812\n50.3619,51.3874\n50.3762,51.3970\n50.3729,51.4010\n50.3644,51.4069\n50.3596,51.4133\n50.3674,51.4190\n50.3796,51.4212\n50.4392,51.4230\n50.4575,51.4269\n50.4711,51.4361\n50.4790,51.4537\n50.5027,51.4561\n50.5183,51.4598\n50.5272,51.4701\n50.5314,51.4927\n50.5222,51.5508\n50.5254,51.5656\n50.5428,51.5774\n50.5619,51.5807\n50.5757,51.5884\n50.5776,51.6134\n50.5817,51.6353\n50.5998,51.6347\n50.6393,51.6162\n50.6858,51.6156\n50.6942,51.6112\n50.6750,51.5944\n50.6587,51.5762\n50.6709,51.5675\n50.6965,51.5656\n50.7200,51.5674\n50.7643,51.5787\n50.7907,51.5973\n50.7945,51.6260\n50.7474,51.7090\n50.7442,51.7424\n50.8393,51.7455\n50.8578,51.7353\n50.8737,51.7219\n50.8843,51.7056\n50.9007,51.6871\n50.9254,51.6797\n51.1698,51.6695\n51.1902,51.6741\n51.2126,51.6818\n51.2339,51.6855\n51.2518,51.6785\n51.2762,51.6516\n51.2884,51.6429\n51.3085,51.6371\n51.3525,51.6362\n51.3719,51.6296\n51.3820,51.6098\n51.3811,51.5871\n51.3732,51.5716\n51.3590,51.5615\n51.3392,51.5550\n51.2417,51.5437\n51.2365,51.5359\n51.2478,51.5211\n51.2638,51.5049\n51.2730,51.4929\n51.2730,51.4926\n51.3042,51.4716\n51.3795,51.4671\n51.4619,51.4753\n51.5150,51.4927\n51.5321,51.5084\n51.5447,51.5241\n51.5598,51.5346\n51.5843,51.5349\n51.6100,51.5277\n51.6205,51.5187\n51.6230,51.5042\n51.6244,51.4810\n51.6474,51.4512\n51.6933,51.4541\n51.7443,51.4734\n51.7823,51.4929\n51.7830,51.5298\n51.7678,51.5630\n51.7647,51.5933\n51.8202,51.6330\n51.8509,51.6617\n51.8692,51.6731\n51.8968,51.6797\n51.9248,51.6783\n51.9525,51.6710\n51.9786,51.6604\n52.0046,51.6549\n52.0353,51.6524\n52.0659,51.6534\n52.0918,51.6587\n52.1110,51.6703\n52.1333,51.7020\n52.1480,51.7161\n52.1741,51.7252\n52.2302,51.7225\n52.2582,51.7242\n52.2796,51.7353\n52.2922,51.7656\n52.3078,51.7745\n52.3349,51.7637\n52.3521,51.7302\n19,-3.0,Esperanza, Vicecomodoro Marambio Stations\n-56.4109,-64.4177\n-56.8896,-64.4177\n-57.3683,-64.4177\n-57.3664,-63.9940\n-57.3646,-63.5702\n-57.3628,-63.1465\n-56.8841,-63.1465\n-56.4054,-63.1465\n-56.4068,-63.4764\n-56.4083,-63.8062\n-56.6091,-63.8372\n-56.6381,-63.9069\n-56.7310,-63.9761\n-56.7313,-63.9993\n-56.6960,-64.0099\n-56.5584,-64.0141\n-56.4529,-64.0273\n-56.4093,-64.0374\n-56.4109,-64.4177\n98,7.0,Arctic 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9\n-109.3561,-74.4492\n-109.3246,-74.5253\n-109.3400,-74.6003\n-109.3628,-74.6293\n-109.4532,-74.7017\n-109.4628,-74.7646\n-109.4890,-74.8075\n-109.5429,-74.8512\n-109.6411,-74.9017\n-109.6465,-74.9143\n-109.6305,-74.9249\n-109.5744,-74.9369\n-109.4695,-74.9475\n-109.0628,-74.9759\n-108.6560,-75.0044\n-108.2492,-75.0328\n-107.8425,-75.0613\n-107.6983,-75.0777\n-107.5335,-75.1075\n-107.2725,-75.1073\n-107.0810,-75.1020\n-106.8380,-75.1039\n-106.6496,-75.1119\n-106.5663,-75.1084\n-106.2532,-75.0803\n-106.0560,-75.0396\n-105.9417,-75.0260\n-105.7917,-75.0142\n-105.6311,-74.9674\n-105.4921,-74.9379\n-105.3193,-74.9145\n-105.1449,-74.9027\n-104.7907,-74.9000\n-104.6497,-74.9050\n-104.4736,-74.9211\n-104.0853,-74.9141\n-103.8390,-74.9238\n-103.5730,-74.8910\n-103.3599,-74.8785\n-103.1477,-74.8821\n-102.7108,-74.9079\n-102.3965,-74.9023\n-102.2278,-74.9095\n-102.0557,-74.8884\n-101.8942,-74.8779\n-101.7491,-74.8755\n-101.5320,-74.8825\n-101.4612,-74.8802\n-101.3779,-74.8628\n-101.3266,-74.8290\n-101.3178,-74.7936\n-101.3605,-74.7598\n-101.4119,-74.7410\n-101.4821,-74.7245\n-101.7834,-74.6837\n-101.9435,-74.6512\n-102.1148,-74.5913\n-102.2125,-74.5300\n-102.2397,-74.4730\n-102.1852,-74.3278\n-102.1885,-74.2634\n-102.1706,-74.2199\n-102.1851,-74.1920\n-102.3133,-74.1709\n-102.4632,-74.1561\n-102.6252,-74.1467\n-102.9238,-74.1399\n-103.0452,-74.1298\n-103.1585,-74.1150\n-103.2876,-74.0906\n-103.4217,-74.0539\n-103.5141,-74.0183\n-103.5989,-73.9709\n-103.6459,-73.9287\n-103.6667,-73.8939\n-103.6686,-73.8435\n-103.6339,-73.7863\n-103.7121,-73.7111\n-103.7232,-73.5999\n-103.6991,-73.5569\n-103.6505,-73.5164\n-103.5835,-73.4819\n-103.4582,-73.4345\n-103.5917,-73.3615\n-103.8325,-73.2967\n-103.8541,-73.2947\n-103.9217,-73.3056\n-104.2468,-73.3830\n-104.3850,-73.4040\n-104.5108,-73.4165\n-104.6858,-73.4248\n-104.8427,-73.4238\n-105.0223,-73.4128\n-105.1766,-73.3940\n-105.3413,-73.3623\n-105.4706,-73.3266\n-105.5818,-73.2851\n-105.6885,-73.2311\n-105.7705,-73.1728\n-105.8274,-73.1120\n-105.8593,-73.0508\n-105.8634,-72.9878\n-105.8328,-72.9434\n-105.7692,-72.8959\n-105.6747,-72.8484\n-105.5611,-72.8068\n-105.4460,-72.7767\n-105.3173,-72.7537\n-105.1761,-72.7386\n-105.0377,-72.7327\n-104.8988,-72.7344\n-104.7545,-72.7439\n-104.6203,-72.7609\n-104.5096,-72.7829\n-104.3630,-72.8294\n-104.1654,-72.9362\n-104.1164,-72.9556\n-104.0834,-72.9607\n-104.0784,-72.9516\n-104.1319,-72.8695\n-104.1242,-72.8148\n-104.0220,-72.7212\n-103.9029,-72.6510\n-103.7533,-72.5991\n-103.4923,-72.5454\n-103.2827,-72.5135\n-103.0853,-72.4998\n-102.8989,-72.5022\n-102.7006,-72.5105\n-102.6335,-72.3163\n-102.7146,-72.2952\n-102.8356,-72.2502\n-102.9269,-72.1956\n-102.9772,-72.1439\n-103.0005,-72.0897\n-102.9955,-72.0349\n-102.9613,-71.9815\n-102.8967,-71.9316\n-102.8188,-71.8940\n-102.7201,-71.8617\n-102.5620,-71.8216\n-102.3777,-71.7876\n-102.2001,-71.7683\n-101.7309,-71.7423\n-101.2617,-71.7163\n-100.7925,-71.6903\n-100.7362,-71.6828\n-100.5264,-71.6376\n-100.3135,-71.6168\n-100.1266,-71.6135\n-99.9473,-71.6235\n-99.7876,-71.6440\n-99.7807,-71.6454\n-99.6007,-71.6823\n-99.5746,-71.6838\n-99.4918,-71.6691\n-99.2449,-71.5959\n-99.0828,-71.5670\n-98.8832,-71.5519\n-98.5202,-71.5481\n-98.3729,-71.5537\n-98.2461,-71.5675\n-97.9644,-71.6196\n-97.6827,-71.6717\n-97.6235,-71.6774\n-97.5371,-71.6801\n7,-3.0,Teniente Jubany Station\n-58.7148,-62.3788\n-58.7148,-62.1199\n-58.7148,-61.8611\n-58.2909,-61.8611\n-58.2909,-62.1199\n-58.2909,-62.3788\n-58.7148,-62.3788\n48,-3.0,Rothera, San Martn Stations\n-68.3115,-66.5034\n-68.1439,-66.5034\n-67.6562,-66.5034\n-67.1686,-66.5034\n-66.6809,-66.5034\n-66.1933,-66.5034\n-66.1933,-66.9280\n-66.1933,-67.3525\n-66.1933,-67.7770\n-66.1933,-68.2016\n-66.1933,-68.6261\n-66.5791,-68.6261\n-66.9650,-68.6261\n-67.3508,-68.6261\n-67.7367,-68.6261\n-67.7358,-68.6259\n-67.7148,-68.6104\n-67.7423,-68.5571\n-67.7475,-68.5158\n-67.6992,-68.3992\n-67.7244,-68.3516\n-67.7373,-68.2792\n-67.8190,-68.1682\n-67.8184,-68.1217\n-67.7761,-68.0632\n-67.8377,-67.9797\n-68.0636,-67.9249\n-68.1400,-67.9167\n-68.2449,-67.9215\n-68.4552,-67.9504\n-68.8225,-67.9727\n-68.9953,-67.9697\n-69.1549,-67.9487\n-69.2726,-67.9181\n-69.3592,-67.8780\n-69.6312,-67.6985\n-69.7172,-67.6067\n-69.7326,-67.5542\n-69.7262,-67.4950\n-69.6953,-67.4307\n-69.6437,-67.3685\n-69.5405,-67.2864\n-69.3249,-67.1609\n-69.1515,-66.9723\n-68.8544,-66.7246\n-68.7766,-66.6760\n-68.6685,-66.6271\n-68.3115,-66.5034\n29,0.0,Halley Station\n-28.0000,-76.8000\n-28.0000,-76.4272\n-28.0000,-76.2500\n-28.0000,-76.0233\n-27.9499,-76.0202\n-27.6983,-75.9808\n-27.4938,-75.9620\n-27.2769,-75.9171\n-27.0242,-75.8869\n-26.8341,-75.8335\n-26.6088,-75.7947\n-26.4544,-75.7633\n-26.3460,-75.7467\n-25.9685,-75.7109\n-25.5910,-75.6750\n-25.2135,-75.6391\n-25.0000,-75.6188\n-25.0000,-75.8436\n-25.0000,-76.0000\n-25.0000,-76.3600\n-25.0000,-76.7572\n-25.0000,-77.1531\n-25.5090,-77.1536\n-25.9916,-77.1536\n-26.4742,-77.1536\n-26.9567,-77.1536\n-27.4393,-77.1536\n-28.0000,-77.1547\n-28.0000,-76.8000\n31,-1.0,Neumayer 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States (Aleutian 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(Laccadive Is.)\n74.0000,10.0000\n74.0006,9.5484\n74.0012,9.0967\n74.0017,8.6451\n74.0023,8.1934\n74.0029,7.7418\n73.6651,7.6962\n73.3272,7.6506\n73.0233,7.6823\n72.7194,7.7140\n72.3136,7.7771\n71.9079,7.8403\n71.5021,7.9034\n71.5017,8.3227\n71.5013,8.7421\n71.5009,9.1614\n71.5004,9.5807\n71.5000,10.0000\n71.5000,10.4167\n71.5000,10.8333\n71.5000,11.2500\n71.5000,11.6667\n71.5000,12.0833\n71.5000,12.5000\n71.9167,12.5000\n72.3333,12.5000\n72.7500,12.5000\n73.1667,12.5000\n73.5833,12.5000\n74.0000,12.5000\n74.0000,12.0833\n74.0000,11.6667\n74.0000,11.2500\n74.0000,10.8333\n74.0000,10.4167\n74.0000,10.0000\n110,9.0,Arctic 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4.2817\n108.4969,64.2558\n108.5081,64.2492\n33,6.0,Indian/Chagos\n73.0000,-8.0000\n72.5812,-8.0000\n72.1624,-8.0000\n71.7436,-8.0000\n71.3249,-8.0000\n70.9061,-8.0000\n70.9058,-7.5254\n70.9055,-7.0509\n70.9052,-6.5763\n70.9049,-6.1018\n70.9046,-5.6272\n70.9043,-5.1526\n70.9040,-4.6781\n70.9037,-4.2035\n70.9034,-3.7290\n70.9031,-3.2544\n70.9028,-2.7798\n71.3690,-2.7794\n71.8351,-2.7790\n72.2169,-2.8805\n72.5987,-2.9820\n73.0001,-3.0609\n73.0001,-3.5046\n73.0000,-3.9483\n73.0000,-4.3985\n73.0000,-4.8487\n73.0000,-5.2989\n73.0000,-5.7491\n73.0000,-6.1993\n73.0000,-6.6494\n73.0000,-7.0996\n73.0000,-7.5498\n73.0000,-8.0000\n25,5.0,French Southern and Antarctic 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Rico\r\n-65.7568,18.0359\r\n-65.7602,18.0245\r\n-65.7771,17.9987\r\n-65.8068,17.9677\r\n-65.818,17.9621\r\n-65.8477,17.9502\r\n-65.8574,17.9466\r\n-66.1242,17.9022\r\n-66.1576,17.9082\r\n-66.2101,17.9234\r\n-66.2671,17.9474\r\n-66.2949,17.941\r\n-66.3737,17.9623\r\n-66.493,17.9443\r\n-66.5066,17.9412\r\n-66.5903,17.9447\r\n-66.6036,17.9471\r\n-66.6336,17.9612\r\n-66.7083,17.9505\r\n-66.7265,17.9404\r\n-66.7408,17.9338\r\n-66.7607,17.927\r\n-66.8461,17.9091\r\n-66.8585,17.9079\r\n-66.872,17.9104\r\n-66.9863,17.9396\r\n-67.0147,17.9299\r\n-67.1033,17.9126\r\n-67.1233,17.9334\r\n-67.1126,18.0151\r\n-67.0938,18.0858\r\n-67.0749,18.168\r\n-67.076,18.1946\r\n-67.0875,18.2174\r\n-67.091,18.227\r\n-67.1113,18.2596\r\n-67.1331,18.2665\r\n-67.1454,18.2698\r\n-67.1593,18.2811\r\n-67.1685,18.2925\r\n-67.1802,18.321\r\n-67.1848,18.3448\r\n-67.0888,18.4665\r\n-67.0728,18.4826\r\n-67.0627,18.4898\r\n-67.0203,18.4975\r\n-67.0018,18.4988\r\n-66.9821,18.4986\r\n-66.9583,18.4954\r\n-66.9446,18.493\r\n-66.9152,18.4845\r\n-66.6877,18.4672\r\n-66.6146,18.4689\r\n-66.4697,18.4618\r\n-66.3857,18.4536\r\n-66.2249,18.4465\r\n-66.1279,18.4436\r\n-66.1144,18.4433\r\n-66.056,18.445\r\n-66.0224,18.3959\r\n-66.0352,18.4513\r\n-65.9507,18.4249\r\n-65.9341,18.4358\r\n-65.9241,18.4399\r\n-65.9107,18.4395\r\n-65.8242,18.4339\r\n-65.8103,18.4317\r\n-65.7214,18.4099\r\n-65.5635,18.3548\r\n-65.5473,18.3446\r\n-65.5504,18.255\r\n-65.5525,18.2449\r\n-65.523,18.2143\r\n-65.5338,18.2011\r\n-65.6129,18.1735\r\n-65.744,18.0439\r\n-65.7568,18.0359\r\n-65.7568,18.0359\r\n86,-6.0,Belize\r\n-89.034,17.7992\r\n-89.035,17.931\r\n-89.0135,17.9509\r\n-88.9639,17.975\r\n-88.9148,17.9846\r\n-88.889,17.9673\r\n-88.8754,17.9457\r\n-88.7642,17.8874\r\n-88.7338,17.8841\r\n-88.6664,17.9688\r\n-88.6206,18.0346\r\n-88.5967,18.0897\r\n-88.5735,18.1651\r\n-88.4925,18.2157\r\n-88.4816,18.2705\r\n-88.4096,18.4096\r\n-88.3988,18.4268\r\n-88.3665,18.4633\r\n-88.2981,18.4694\r\n-88.2641,18.4613\r\n-88.2366,18.4606\r\n-88.1923,18.4622\r\n-88.1826,18.4303\r\n-88.2062,18.4041\r\n-88.2083,18.3436\r\n-88.1017,18.3325\r\n-87.9906,18.3529\r\n-87.975,18.2512\r\n-87.9709,18.1954\r\n-87.9804,18.102\r\n-88.0164,18.0092\r\n-88.044,17.9461\r\n-88.0563,17.9313\r\n-88.0797,17.9039\r\n-88.0955,17.8673\r\n-88.102,17.7826\r\n-88.1051,17.7558\r\n-88.1191,17.6962\r\n-88.1268,17.6765\r\n-88.1451,17.6461\r\n-88.1666,17.6253\r\n-88.1757,17.6042\r\n-88.1717,17.5612\r\n-88.1422,17.4459\r\n-88.1539,17.4028\r\n-88.1782,17.304\r\n-88.1879,17.2575\r\n-88.192,17.2193\r\n-88.1927,17.1666\r\n-88.1825,17.1033\r\n-88.1736,17.0788\r\n-88.1593,17.0613\r\n-88.1285,17.0458\r\n-88.1071,16.943\r\n-88.1277,16.9269\r\n-88.1566,16.9071\r\n-88.1717,16.8707\r\n-88.1735,16.7819\r\n-88.1963,16.6249\r\n-88.2549,16.4833\r\n-88.2409,16.5842\r\n-88.2725,16.5434\r\n-88.2877,16.5231\r\n-88.279,16.5087\r\n-88.2818,16.4721\r\n-88.4236,16.2798\r\n-88.5444,16.2617\r\n-88.6205,16.2136\r\n-88.6382,16.1897\r\n-88.6855,16.1011\r\n-88.747,16.0364\r\n-88.8165,15.9693\r\n-88.8205,15.9295\r\n-88.8043,15.8761\r\n-88.8743,15.8805\r\n-88.9405,15.8887\r\n-89.0628,15.8925\r\n-89.1095,15.8722\r\n-89.1097,15.8976\r\n-89.0972,16.0861\r\n-89.077,16.3961\r\n-89.0376,16.9948\r\n-89.0358,17.3225\r\n-89.0342,17.6996\r\n-89.034,17.7992\r\n-89.034,17.7992\r\n20,-4.0,Dominican Republic\r\n-68.4903,18.0815\r\n-68.5067,18.0934\r\n-68.5372,18.1014\r\n-68.5568,18.1049\r\n-68.569,18.1035\r\n-68.5789,18.0995\r\n-68.6079,18.0911\r\n-68.6183,18.0919\r\n-68.6487,18.0998\r\n-68.6721,18.1096\r\n-68.6981,18.1497\r\n-68.7014,18.1594\r\n-68.6966,18.1773\r\n-68.5266,18.1444\r\n-68.5145,18.1411\r\n-68.5038,18.1338\r\n-68.4913,18.1094\r\n-68.4852,18.0877\r\n-68.4903,18.0815\r\n-68.4903,18.0815\r\n16,-6.0,Belize\r\n-87.8019,18.0013\r\n-87.8138,17.9506\r\n-87.8222,17.9315\r\n-87.8299,17.9187\r\n-87.8465,17.8946\r\n-87.8547,17.884\r\n-87.8668,17.8783\r\n-87.8843,17.8777\r\n-87.8993,17.8819\r\n-87.7946,18.1306\r\n-87.7498,18.1444\r\n-87.7409,18.1383\r\n-87.74,18.1207\r\n-87.7835,18.0259\r\n-87.8019,18.0013\r\n-87.8019,18.0013\r\n15,-4.0,Puerto 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and Caicos\r\n-71.4272,21.6615\r\n-71.4272,21.6556\r\n-71.4292,21.6503\r\n-71.433,21.6471\r\n-71.4357,21.6424\r\n-71.4377,21.6371\r\n-71.4404,21.6325\r\n-71.4424,21.6272\r\n-71.4415,21.6216\r\n-71.4398,21.6163\r\n-71.4389,21.6107\r\n-71.438,21.6052\r\n-71.4377,21.599\r\n-71.4398,21.5934\r\n-71.4448,21.5914\r\n-71.4498,21.5896\r\n-71.4556,21.5917\r\n-71.458,21.5958\r\n-71.4591,21.6016\r\n-71.4591,21.6078\r\n-71.4559,21.6116\r\n-71.453,21.616\r\n-71.4509,21.6216\r\n-71.4509,21.6286\r\n-71.4512,21.6342\r\n-71.4524,21.6398\r\n-71.4518,21.6465\r\n-71.4492,21.6509\r\n-71.4451,21.6545\r\n-71.4398,21.6559\r\n-71.4351,21.6583\r\n-71.4298,21.66\r\n-71.4272,21.6615\r\n-71.4272,21.6615\r\n14,-5.0,Turks and Caicos\r\n-71.5334,21.7542\r\n-71.5281,21.753\r\n-71.526,21.7495\r\n-71.5257,21.7439\r\n-71.5272,21.7392\r\n-71.5339,21.7389\r\n-71.5389,21.7398\r\n-71.5425,21.743\r\n-71.5457,21.7469\r\n-71.546,21.7501\r\n-71.5407,21.7518\r\n-71.5378,21.7545\r\n-71.5334,21.7542\r\n-71.5334,21.7542\r\n132,-5.0,Turks and Caicos\r\n-71.7777,21.8396\r\n-71.7716,21.8378\r\n-71.7669,21.8352\r\n-71.7616,21.8328\r\n-71.7569,21.8302\r\n-71.7519,21.8281\r\n-71.746,21.8261\r\n-71.7411,21.8234\r\n-71.7355,21.8217\r\n-71.7287,21.8205\r\n-71.7214,21.8199\r\n-71.7147,21.8199\r\n-71.7085,21.8211\r\n-71.7026,21.822\r\n-71.6968,21.8228\r\n-71.6897,21.8228\r\n-71.6824,21.8223\r\n-71.6765,21.8205\r\n-71.6706,21.8184\r\n-71.6645,21.8176\r\n-71.6577,21.8161\r\n-71.651,21.8149\r\n-71.6445,21.8149\r\n-71.6396,21.8176\r\n-71.6369,21.822\r\n-71.6316,21.8234\r\n-71.6249,21.8237\r\n-71.6184,21.8228\r\n-71.6117,21.8214\r\n-71.6061,21.8193\r\n-71.6002,21.8179\r\n-71.5953,21.8152\r\n-71.5911,21.8123\r\n-71.5876,21.8082\r\n-71.5862,21.8032\r\n-71.5841,21.7982\r\n-71.5821,21.7932\r\n-71.58,21.7891\r\n-71.5771,21.7847\r\n-71.5756,21.7797\r\n-71.5727,21.7753\r\n-71.5703,21.7712\r\n-71.5677,21.7665\r\n-71.5659,21.7615\r\n-71.5636,21.7571\r\n-71.5686,21.7568\r\n-71.5744,21.7589\r\n-71.5785,21.7618\r\n-71.5812,21.7662\r\n-71.5838,21.7709\r\n-71.5856,21.7759\r\n-71.5879,21.78\r\n-71.5914,21.7838\r\n-71.5947,21.7873\r\n-71.5958,21.7929\r\n-71.5973,21.7979\r\n-71.6008,21.802\r\n-71.6055,21.8008\r\n-71.6067,21.7961\r\n-71.6046,21.7912\r\n-71.6026,21.7868\r\n-71.6005,21.7815\r\n-71.5988,21.7768\r\n-71.597,21.7718\r\n-71.597,21.7656\r\n-71.5953,21.7606\r\n-71.5932,21.7554\r\n-71.5891,21.7524\r\n-71.585,21.7495\r\n-71.5809,21.7463\r\n-71.5774,21.7425\r\n-71.575,21.7384\r\n-71.573,21.7334\r\n-71.5735,21.7293\r\n-71.5788,21.7275\r\n-71.5835,21.7249\r\n-71.5888,21.7246\r\n-71.5929,21.7281\r\n-71.5964,21.7316\r\n-71.5988,21.736\r\n-71.6017,21.7401\r\n-71.6041,21.7448\r\n-71.6076,21.7486\r\n-71.6108,21.7521\r\n-71.6161,21.7533\r\n-71.619,21.7495\r\n-71.6219,21.7448\r\n-71.6243,21.7401\r\n-71.6287,21.7419\r\n-71.6305,21.7454\r\n-71.6319,21.7498\r\n-71.6343,21.7542\r\n-71.6369,21.7583\r\n-71.6381,21.7642\r\n-71.6396,21.7692\r\n-71.6431,21.7727\r\n-71.6489,21.7747\r\n-71.6548,21.7738\r\n-71.6616,21.7736\r\n-71.6683,21.7733\r\n-71.6742,21.7753\r\n-71.68,21.7771\r\n-71.6871,21.7777\r\n-71.6932,21.7768\r\n-71.6994,21.7759\r\n-71.705,21.7744\r\n-71.71,21.7727\r\n-71.7152,21.7712\r\n-71.7214,21.7703\r\n-71.727,21.7686\r\n-71.7323,21.7668\r\n-71.7369,21.7645\r\n-71.7411,21.7612\r\n-71.7463,21.7598\r\n-71.7531,21.7595\r\n-71.7575,21.7612\r\n-71.7598,21.7656\r\n-71.7625,21.77\r\n-71.7651,21.7744\r\n-71.7677,21.7785\r\n-71.771,21.7824\r\n-71.7727,21.7873\r\n-71.7739,21.7929\r\n-71.7739,21.7991\r\n-71.7727,21.8052\r\n-71.7739,21.8111\r\n-71.7754,21.8158\r\n-71.7777,21.8202\r\n-71.7804,21.8246\r\n-71.7804,21.8308\r\n-71.7777,21.8396\r\n-71.7777,21.8396\r\n116,-5.0,Turks and 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Islands\r\n-80.0415,19.647\r\n-80.04,19.6523\r\n-80.0368,19.6567\r\n-80.033,19.6599\r\n-80.0286,19.6626\r\n-80.0242,19.6652\r\n-80.0198,19.6679\r\n-80.0157,19.6711\r\n-80.0128,19.6752\r\n-80.0104,19.6799\r\n-80.0057,19.6825\r\n-79.9993,19.6831\r\n-79.9937,19.684\r\n-79.987,19.6846\r\n-79.9793,19.6843\r\n-79.9729,19.6849\r\n-79.9664,19.6855\r\n-79.9597,19.686\r\n-79.9547,19.6878\r\n-79.9488,19.689\r\n-79.9429,19.6902\r\n-79.9374,19.6922\r\n-79.9324,19.6943\r\n-79.9265,19.6951\r\n-79.9207,19.6963\r\n-79.9142,19.6969\r\n-79.9069,19.6966\r\n-79.9007,19.6951\r\n-79.8966,19.6922\r\n-79.8951,19.6881\r\n-79.8992,19.6846\r\n-79.9045,19.6828\r\n-79.9107,19.6837\r\n-79.9174,19.6846\r\n-79.9242,19.6855\r\n-79.9292,19.6837\r\n-79.9336,19.6811\r\n-79.938,19.6784\r\n-79.9432,19.6764\r\n-79.9485,19.6746\r\n-79.9529,19.672\r\n-79.9582,19.6699\r\n-79.9632,19.6681\r\n-79.9685,19.6661\r\n-79.9735,19.6643\r\n-79.9793,19.6629\r\n-79.9855,19.662\r\n-79.9914,19.6608\r\n-79.9952,19.6576\r\n-79.9993,19.6541\r\n-80.0037,19.6508\r\n-80.0072,19.6473\r\n-80.0116,19.645\r\n-80.0169,19.6429\r\n-80.0219,19.6412\r\n-80.0274,19.6391\r\n-80.0339,19.6385\r\n-80.0398,19.6403\r\n-80.0415,19.647\r\n-80.0415,19.647\r\n96,-4.0,Anguilla\r\n-63.0977,18.1495\r\n-63.0944,18.1518\r\n-63.0915,18.1562\r\n-63.0886,18.1609\r\n-63.0853,18.1644\r\n-63.0809,18.1673\r\n-63.0777,18.1712\r\n-63.0748,18.1756\r\n-63.0713,18.1791\r\n-63.0671,18.1823\r\n-63.0619,18.1835\r\n-63.056,18.1841\r\n-63.0504,18.1852\r\n-63.0446,18.1861\r\n-63.0399,18.1879\r\n-63.0346,18.1893\r\n-63.0305,18.1926\r\n-63.0264,18.1952\r\n-63.0217,18.1976\r\n-63.0164,18.1987\r\n-63.0123,18.2017\r\n-63.0088,18.2052\r\n-63.0055,18.209\r\n-63.0044,18.2158\r\n-63.0035,18.2213\r\n-63.0006,18.2257\r\n-62.997,18.2295\r\n-62.9935,18.2331\r\n-62.9903,18.2369\r\n-62.9874,18.2413\r\n-62.9832,18.2442\r\n-62.9786,18.2463\r\n-62.9733,18.2477\r\n-62.9677,18.2492\r\n-62.9633,18.251\r\n-62.9577,18.2524\r\n-62.9524,18.2539\r\n-62.9466,18.2545\r\n-62.9395,18.2536\r\n-62.9322,18.2524\r\n-62.9266,18.2515\r\n-62.9216,18.2539\r\n-62.9184,18.2574\r\n-62.9134,18.2598\r\n-62.9087,18.2615\r\n-62.9026,18.2615\r\n-62.8999,18.2571\r\n-62.8994,18.2512\r\n-62.9026,18.2468\r\n-62.9067,18.2442\r\n-62.9111,18.2419\r\n-62.9146,18.2383\r\n-62.914,18.2325\r\n-62.9143,18.2263\r\n-62.9167,18.2204\r\n-62.9193,18.216\r\n-62.9231,18.2122\r\n-62.9278,18.2102\r\n-62.9331,18.2087\r\n-62.9392,18.2084\r\n-62.9431,18.2052\r\n-62.9466,18.2017\r\n-62.951,18.1993\r\n-62.956,18.1976\r\n-62.9607,18.1952\r\n-62.9659,18.1938\r\n-62.9712,18.1926\r\n-62.9765,18.1914\r\n-62.9803,18.1876\r\n-62.985,18.1852\r\n-62.9903,18.1841\r\n-62.9956,18.1826\r\n-62.9994,18.1797\r\n-63.0041,18.1776\r\n-63.0073,18.1732\r\n-63.0105,18.1694\r\n-63.0155,18.1673\r\n-63.0199,18.1653\r\n-63.0246,18.1629\r\n-63.0287,18.1603\r\n-63.0319,18.1641\r\n-63.0352,18.1671\r\n-63.039,18.1706\r\n-63.0449,18.17\r\n-63.0493,18.1671\r\n-63.0534,18.1641\r\n-63.0572,18.1615\r\n-63.0613,18.1583\r\n-63.066,18.1562\r\n-63.0701,18.1533\r\n-63.0754,18.1518\r\n-63.0806,18.1506\r\n-63.0865,18.15\r\n-63.0915,18.1512\r\n-63.0977,18.1495\r\n-63.0977,18.1495\r\n62,-4.0,Nevis\r\n-62.5297,17.1823\r\n-62.5227,17.1811\r\n-62.5174,17.1826\r\n-62.5127,17.1846\r\n-62.506,17.1843\r\n-62.5007,17.1823\r\n-62.496,17.1793\r\n-62.4913,17.1767\r\n-62.4851,17.1752\r\n-62.4787,17.1749\r\n-62.4746,17.1717\r\n-62.4725,17.1673\r\n-62.4713,17.162\r\n-62.4705,17.1564\r\n-62.4699,17.1509\r\n-62.4693,17.1453\r\n-62.4681,17.14\r\n-62.4667,17.135\r\n-62.4652,17.13\r\n-62.4646,17.1245\r\n-62.464,17.1186\r\n-62.4643,17.1124\r\n-62.4652,17.1057\r\n-62.4672,17.0995\r\n-62.4687,17.0937\r\n-62.4713,17.089\r\n-62.4743,17.0846\r\n-62.4778,17.0811\r\n-62.4828,17.079\r\n-62.4884,17.0796\r\n-62.4936,17.0819\r\n-62.5001,17.0822\r\n-62.5054,17.0808\r\n-62.5104,17.0787\r\n-62.5151,17.0767\r\n-62.5212,17.0769\r\n-62.5271,17.0778\r\n-62.5332,17.079\r\n-62.5406,17.0802\r\n-62.5441,17.0837\r\n-62.547,17.0875\r\n-62.5497,17.0919\r\n-62.552,17.0963\r\n-62.5538,17.1007\r\n-62.5552,17.1057\r\n-62.5561,17.1116\r\n-62.5558,17.1177\r\n-62.5555,17.1242\r\n-62.5544,17.1309\r\n-62.5535,17.1362\r\n-62.552,17.1421\r\n-62.5503,17.1482\r\n-62.5479,17.1535\r\n-62.5459,17.1588\r\n-62.5435,17.1638\r\n-62.5415,17.1691\r\n-62.54,17.1761\r\n-62.54,17.1823\r\n-62.5371,17.1867\r\n-62.5315,17.1858\r\n-62.5297,17.1823\r\n-62.5297,17.1823\r\n151,-4.0,Antigua and 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and 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}, { "path": "POST/hr2day/scripts/bldit_hr2day.csh", "content": "#! /bin/csh -f\n\n# ==================== HR2DAYv5.5.X Build Script =====================#\n# Usage: bldit_hr2day.csh >&! bldit_hr2day.log #\n# Requirements: I/O API & netCDF libraries; a Fortran compiler #\n# #\n# To report problems or request help with this script/program: #\n# http://www.cmascenter.org #\n# =================================================================== #\n\n# =======================================================================\n#> Preliminary error checking and environment configuration\n# =======================================================================\n\n#> Check that the host system is Linux-based\n set BLD_OS = `uname -s` \n if ($BLD_OS != 'Linux') then\n echo \" $BLD_OS -> wrong bldit script for host!\"\n exit 1\n endif\n\n#> Set Compiler Identity by User Input: Options -> intel | pgi | gcc\n if ( $#argv == 1 ) then\n setenv compiler $argv[1]\n setenv compilerVrsn Empty\n else if ( $#argv == 2 ) then\n #> Compiler Name and Version have been provided\n setenv compiler $1\n setenv compilerVrsn $2\n else\n echo \"usage: $0 \"\n echo \" where is intel, pgi or gcc\"\n exit(2)\n endif\n\n#> Source the config.cmaq file to set the build environment\n cd ../../..\n source ./config_cmaq.csh\n\n#> Source Code Repository\n setenv REPOROOT ${CMAQ_REPO}/POST/hr2day #> location of the source code for HR2DAY\n\n#===============================================================================\n#> Begin User Input Section \n#===============================================================================\n\n#> User choices: working directory and application ID\n set VRSN = v55 #> model version\n set EXEC = hr2day_${VRSN}.exe #> executable name for this application\n set CFG = hr2day_${VRSN}.cfg #> BLDMAKE configuration file name\n setenv BLDER ${CMAQ_HOME}/UTIL/bldmake/bldmake_${compilerString}.exe #> location of makefile builder executable \n\n#> user choice: copy source files\n set CopySrc #> copy the source files into the BLD directory\n\n #set MakeFileOnly # builds a Makefile to make the model, but does not compile -\n # comment out to also compile the model (default if not set)\n\n# set CompileBLDMAKE #> Recompile the BLDMAKE utility from source\n #> comment out to use an existing BLDMAKE executable\n set ModDriver = src #> HR2DAY Modules\n\n\n#============================================================================================\n#> Computing System Configuration:\n#> Most of these settings are done in config.cmaq\n#============================================================================================\n\n#> Set full path of Fortran 90 compiler\n setenv FC ${myFC}\n set FP = $FC\n\n#> Set IO/API version\n set IOAPI = ioapi_3.1\n\n#> Set compiler flags\n set FSTD = \"${myFSTD}\"\n set DBG = \"${myDBG}\"\n setenv F_FLAGS \"${myFFLAGS}\"\n set F90_FLAGS = \"${myFRFLAGS}\"\n set CPP_FLAGS = \"\" #> Fortran Preprocessor Flags\n set LINK_FLAGS = \"${myLINK_FLAG}\" #> Link Flags\n\n set LIB2 = \"${ioapi_lib}\"\n\n\n#============================================================================================\n#> Set up the hr2day build directory under the Tools directory\n#> for checking out and compiling source code\n#============================================================================================\n set Bld = ${CMAQ_HOME}/POST/hr2day/scripts/BLD_hr2day_${VRSN}_${compilerString}\n\n if ( ! -e \"$Bld\" ) then\n mkdir -pv $Bld\n else\n if ( ! -d \"$Bld\" ) then\n echo \" *** target exists, but not a directory ***\"\n exit 1\n endif\n endif\n\n cd $Bld\n\n#> Check for previous run\n if ( -e \"$Bld/${CFG}\" ) then\n echo \" >>> previous ${CFG} exists, re-naming to ${CFG}.old <<<\"\n mv $Bld/${CFG} $Bld/${CFG}.old\n endif\n\n#============================================================================================\n#> Make the config file\n#============================================================================================\n set Cfile = ${Bld}/$CFG\n set quote = '\"'\n\n echo > $Cfile\n echo \"model $EXEC;\" >> $Cfile\n echo >> $Cfile\n echo \"repo $REPOROOT;\" >> $Cfile\n echo >> $Cfile\n echo \"lib_base ${CMAQ_LIB};\" >> $Cfile\n echo >> $Cfile\n echo \"lib_1 ioapi/lib;\" >> $Cfile\n echo >> $Cfile\n echo \"lib_2 ioapi/include_files;\" >> $Cfile\n echo >> $Cfile\n echo \"lib_3 netcdf/include;\" >> $Cfile\n echo >> $Cfile\n echo \"lib_4 ioapi/lib;\" >> $Cfile\n echo >> $Cfile\n echo \"lib_5 netcdff/include;\" >> $Cfile\n echo >> $Cfile\n set text = \"$quote$CPP_FLAGS$quote;\"\n echo \"cpp_flags $text\" >> $Cfile\n echo >> $Cfile\n echo \"f_compiler $FC;\" >> $Cfile\n echo >> $Cfile\n echo \"fstd $quote$FSTD$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"dbg $quote$DBG$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"f_flags $quote$F_FLAGS$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"f90_flags $quote$F90_FLAGS$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"link_flags $quote$LINK_FLAGS$quote;\" >> $Cfile\n echo >> $Cfile\n#echo \"libraries $quote$LIBS$quote;\" >> $Cfile\n echo \"ioapi $quote$LIB2$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"netcdf $quote$netcdf_lib$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"netcdff $quote$netcdff_lib$quote;\" >> $Cfile\n\n set text = \"hr2day\"\n echo \"// options are\" $text >> $Cfile\n echo \"Module ${ModDriver};\" >> $Cfile\n echo >> $Cfile\n\n#============================================================================================\n#> Use BLDMAKE to create the Makefile and model executable if desired\n#============================================================================================\n\n unalias mv rm\n\n#> Recompile BLDMAKE from source if requested or if it does not exist\n if ( $?CompileBLDMAKE || ! -f $BLDER ) then\n cd ${CMAQ_REPO}/UTIL/bldmake/scripts\n ./bldit_bldmake.csh\n endif\n \n#> Relocate to the BLD_* directory\n cd $Bld \n\n#> Set serial options for BLDMAKE execution\n set Blder = \"$BLDER -serial -verbose\"\n\n#> Run BLDMAKE Utility\n if ( $?MakeFileOnly ) then\n #> Just create the Makefile\n if ( $?CopySrc ) then\n $Blder -makefo $Cfile\n else\n $Blder -makefo -git_local $Cfile \n endif\n else \n # Also compile the model\n if ( $?CopySrc ) then\n $Blder $Cfile\n else\n $Blder -git_local $Cfile\n endif\n endif\n\n#> Save Makefile with Compiler-dependent name and create symbolic\n#> link back to generic name.\n mv Makefile Makefile.$compilerString\n if ( -e Makefile.$compilerString && -e Makefile ) rm Makefile\n ln -s Makefile.$compilerString Makefile\n\n#> Check for error during makefile generation\n if ( $status != 0 ) then\n echo \" *** failure in $Blder ***\"\n exit 1\n endif\n\n exit\n" }, { "path": "POST/hr2day/scripts/run_hr2day.csh", "content": "#! /bin/csh -f\n\n# ====================== HR2DAYv5.5.X Run Script ======================\n# Usage: run.hr2day.csh >&! hr2day.log &\n#\n# To report problems or request help with this script/program:\n# http://www.epa.gov/cmaq (EPA CMAQ Website)\n# http://www.cmascenter.org\n# ===================================================================\n\n# ==================================================================\n#> Runtime Environment Options\n# ==================================================================\n\n#> Choose compiler and set up CMAQ environment with correct \n#> libraries using config.cmaq. Options: intel | gcc | pgi\n setenv compiler intel \n\n cd ../../..\n source ./config_cmaq.csh\n\n#> Set General Parameters for Configuring the Simulation\n set VRSN = v55 #> Code Version\n set PROC = mpi #> serial or mpi\n set MECH = cb6r5_ae7_aq #> Mechanism ID\n set APPL = Bench_2016_12SE1 #> Application Name (e.g. Gridname)\n \n#> Define RUNID as any combination of parameters above or others. By default,\n#> this information will be collected into this one string, $RUNID, for easy\n#> referencing in output binaries and log files as well as in other scripts.\n set RUNID = ${VRSN}_${compilerString}_${APPL}\n \n#> Set the build directory if this was not set above \n#> (this is where the executable is located by default).\n if ( ! $?BINDIR ) then\n set BINDIR = ${CMAQ_HOME}/POST/hr2day/scripts/BLD_hr2day_${VRSN}_${compilerString}\n endif\n\n#> Set the name of the executable.\n set EXEC = hr2day_${VRSN}.exe\n\n#> Set location of CMAQ repo. This will be used to point to the time zone file\n#> needed to run bldoverlay. \n set REPO_HOME = ${CMAQ_REPO}\n\n#> Set output directory\n set POSTDIR = ${CMAQ_DATA}/POST #> Location where hr2day file will be written\n\n if ( ! -e $POSTDIR ) then\n\t mkdir $POSTDIR\n endif\n\n\n# =====================================================================\n#> HR2DAY Configuration Options\n# =====================================================================\n\n#> set to use local time (default is GMT)\n setenv USELOCAL Y\n\n#> set to use daylight savings time (default is N)\n setenv USEDST N\n\n#> location of time zone data file, tz.csv (this is a required input file\n#> when using USELOCAL Y to shift from GMT to local time)\n setenv TZFILE ${REPO_HOME}/POST/hr2day/inputs/tz.csv\n\n # You can use the old tz.csv file by uncommenting out this line\n # setenv TZFILE ${REPO_HOME}/POST/hr2day/inputs/tz_legacy.csv\n\n#> partial day calculation (computes value for last day)\n setenv PARTIAL_DAY Y\n\n#> starting hour for daily metrics (default is 0)\n setenv START_HOUR 0\n\n#> ending hour for daily metrics (default is 23)\n setenv END_HOUR 23\n\n#> Number of 8hr values to use when computing daily maximum 8hr ozone.\n#> Allowed values are 24 (use all 8-hr averages with starting hours \n#> from 0 - 23 hr local time) and 17 (use only the 17 8-hr averages\n#> with starting hours from 7 - 23 hr local time)\n setenv HOURS_8HRMAX 24\n# setenv HOURS_8HRMAX 17\n\n#> define species (format: \"Name, units, From_species, Operation\")\n#> operations : {SUM, AVG, MIN, MAX, HR@MIN, HR@MAX, @MAXT, MAXDIF, \n#> 8HRMAX, W126, @8HRMAXO3, HR@8HRMAX, SUM06}\n setenv SPECIES_1 \"O3,ppbV,O3,8HRMAX\"\n \n#> Optional desired first and last processing date. The program will\n#> adjust the requested dates if the desired range is not covered by\n#> the input file(s). If these dates are not specified, the processing\n#> will be performed for the longest possible time record that can be\n#> derived from the model input file(s)\n setenv START_DATE 2016182\n setenv END_DATE 2016195\n\n#> set input and output files\n setenv M3_FILE_1 ${CMAQ_DATA}/POST/COMBINE_ACONC_${RUNID}_201607.nc\n# setenv M3_FILE_2 ${CMAQ_DATA}/POST/COMBINE_ACONC_${RUNID}_201608.nc\n #[Add location of one or more (up to 366) input files, e.g. COMBINE_ACONC file.]\n setenv OUTFILE ${POSTDIR}/dailymaxozone_${RUNID}.nc\n\n#> Executable call:\n ${BINDIR}/${EXEC}\n\n set progstat = ${status}\n if ( ${progstat} ) then\n echo \"ERROR ${progstat} in $BINDIR/$EXEC\"\n exit( ${progstat} )\n endif\n\n exit()\n\n\n" }, { "path": "POST/hr2day/src/ck_ctms.F", "content": "\n!-----------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies!\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!-----------------------------------------------------------------------!\n\n! RCS file, release, date & time of last delta, author, state, [and locker]\n! $Header: /home/sjr/cvs2git/TOOLS/src/sitecmp/ck_ctms.F,v 1.4 2011/10/21 14:41:31 sjr Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC*************************************************************************\nC\nC FUNCTION: To check multiple input CTM conc files for consistent\nC header data\nC \nC \nC*************************************************************************\n SUBROUTINE CK_M3FLS()\n\n USE M3FILES\n USE M3UTILIO\n\n IMPLICIT NONE \n\n\nC..ARGUMENTS:\n\nC..PARAMETERS: None\n\nC..SAVED LOCAL VARIABLES: None\n\nC..SCRATCH LOCAL VARIABLES:\n CHARACTER*80 MSG ! Log message\n CHARACTER*16 PNAME ! Program Name\n CHARACTER*15 VAL1 ! Character value of real\n CHARACTER*15 VAL2 ! Character value of real\n\n INTEGER L, N ! Loop indices\n INTEGER FTYPE1 ! File 1 file type\n INTEGER NCOLS1 ! File 1 number of columns\n INTEGER NROWS1 ! File 1 number of rows\n INTEGER NLAYS1 ! File 1 number of levels\n INTEGER SDATE1 ! File 1 start date\n INTEGER STIME1 ! File 1 start time\n INTEGER TSTEP1 ! File 1 time step\n INTEGER MXREC1 ! File 1 number of time steps\n INTEGER NTHIK1 ! File 1 boundary thickness\n INTEGER GDTYP1 ! File 1 horizontal grid type\n INTEGER VGTYP1 ! File 1 Vertical coordinate type\n\n LOGICAL LERROR ! Error Flag\n LOGICAL LSTOP ! Exit Flag\n\n REAL P_ALP1 ! File 1 map projection parameter \n REAL P_BET1 ! File 1 map projection parameter \n REAL P_GAM1 ! File 1 map projection parameter\n REAL XORIG1 ! File 1 X-origin\n REAL YORIG1 ! File 1 Y-origin\n REAL XCELL1 ! File 1 X-dimension of cells\n REAL YCELL1 ! File 1 Y-dimension of cells\n REAL XCENT1 ! File 1 X-center of coordinate system\n REAL YCENT1 ! File 1 Y-center of coordinate system\n REAL VGTOP1 ! File 1 model top\n\n REAL VGLVS1( MXLAYS3 + 1 ) ! File vertical layer heights\n \nC**********************************************************************\n DATA PNAME / 'CK_M3FLS' /\n\n LSTOP = .FALSE.\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get header data for CTM file 1\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF( .NOT. DESC3 ( M3_FLNAME( 1 ) ) ) THEN\n MSG = 'Could not read DESC of ' // M3_FLNAME( 1 ) \n & // ' file'\n CALL M3ERR( PNAME, 0, 0, MSG, .TRUE. )\n ENDIF\n\n FTYPE1 = FTYPE3D\n NCOLS1 = NCOLS3D\n NROWS1 = NROWS3D\n NLAYS1 = NLAYS3D\n SDATE1 = SDATE3D\n STIME1 = STIME3D\n TSTEP1 = TSTEP3D\n MXREC1 = MXREC3D\n NTHIK1 = NTHIK3D\n GDTYP1 = GDTYP3D\n P_ALP1 = P_ALP3D\n P_BET1 = P_BET3D\n P_GAM1 = P_GAM3D\n XORIG1 = XORIG3D\n YORIG1 = YORIG3D\n XCELL1 = XCELL3D\n YCELL1 = YCELL3D\n XCENT1 = XCENT3D\n YCENT1 = YCENT3D\n VGTYP1 = VGTYP3D\n VGTOP1 = VGTOP3D\n DO N = 1 , NLAYS3D + 1\n VGLVS1( N ) = VGLVS3D( N )\n ENDDO\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Check to see that requested variable is on all files\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n DO N = 1, N_M3FILES\n\n IF( .NOT. DESC3 ( M3_FLNAME( N ) ) ) THEN\n MSG = 'Could not read DESC of ' // M3_FLNAME( N ) \n & // ' file'\n CALL M3ERR( PNAME, 0, 0, MSG, .TRUE. )\n ENDIF\n\n ENDDO\n\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Write out report data\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF( N_M3FILES .GT. 1 ) THEN \n MSG = 'Multiple Models-3 files being used' \n CALL M3MESG( MSG )\n MSG = 'Files being checked for consistent header data' \n CALL M3MESG( MSG )\n ENDIF\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Compare header data on file 1 with header data on other CTM files\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n DO N = 2, N_M3FILES\n\n WRITE( MSG, '( ''Differences found between files '', A, \n & '' and '', A )' ) \n & TRIM( M3_FLNAME( 1 ) ), \n & TRIM( M3_FLNAME( N ) )\n\n CALL M3MESG( MSG )\n\n LERROR = .FALSE.\n\n\n IF( .NOT. DESC3 ( M3_FLNAME( N ) ) ) THEN\n MSG = 'Could not read DESC of ' // M3_FLNAME( N ) \n & // ' file'\n CALL M3ERR( PNAME, 0, 0, MSG, .TRUE. )\n ENDIF\n \n IF( FTYPE1 .NE. FTYPE3D ) THEN\n WRITE( LOGUNIT, 94020 ) FTYPE1, N, FTYPE3D\n LERROR = .TRUE.\n ENDIF\n\n IF( NCOLS1 .NE. NCOLS3D ) THEN\n WRITE( LOGUNIT, 94040 ) NCOLS1, N, NCOLS3D\n LERROR = .TRUE.\n ENDIF\n\n IF( NROWS1 .NE. NROWS3D ) THEN\n WRITE( LOGUNIT, 94060 ) NROWS1, N, NROWS3D\n LERROR = .TRUE.\n ENDIF\n\n IF( NLAYS1 .NE. NLAYS3D ) THEN\n WRITE( LOGUNIT, 94080 ) NLAYS1, N, NLAYS3D\n LERROR = .TRUE.\n ENDIF\n\n IF( TSTEP1 .NE. TSTEP3D ) THEN\n WRITE( LOGUNIT, 94140 ) TSTEP1, N, TSTEP3D\n LERROR = .TRUE.\n ENDIF\n\n IF( NTHIK1 .NE. NTHIK3D ) THEN\n WRITE( LOGUNIT, 94180 ) NTHIK1, N, NTHIK3D\n LERROR = .TRUE.\n ENDIF\n\n IF( GDTYP1 .NE. GDTYP3D ) THEN\n WRITE( LOGUNIT, 94200 ) GDTYP1, N, GDTYP3D\n LERROR = .TRUE.\n ENDIF\n\n WRITE( VAL1, 94000 ) P_ALP1\n WRITE( VAL2, 94000 ) P_ALP3D\n IF( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94220 ) P_ALP1, N, P_ALP3D\n LERROR = .TRUE.\n ENDIF\n\n WRITE( VAL1, 94000 ) P_BET1\n WRITE( VAL2, 94000 ) P_BET3D\n IF( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94240 ) P_BET1, N, P_BET3D\n LERROR = .TRUE.\n ENDIF\n\n WRITE( VAL1, 94000 ) P_GAM1\n WRITE( VAL2, 94000 ) P_GAM3D\n IF( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94260 ) P_GAM1, N, P_GAM3D\n LERROR = .TRUE.\n ENDIF\n\n WRITE( VAL1, 94000 ) XORIG1\n WRITE( VAL2, 94000 ) XORIG3D\n IF( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94280 ) XORIG1, N, XORIG3D\n LERROR = .TRUE.\n ENDIF\n\n WRITE( VAL1, 94000 ) YORIG1\n WRITE( VAL2, 94000 ) YORIG3D\n IF( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94300 ) YORIG1, N, YORIG3D\n LERROR = .TRUE.\n ENDIF\n\n WRITE( VAL1, 94000 ) XCELL1\n WRITE( VAL2, 94000 ) XCELL3D\n IF( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94320 ) XCELL1, N, XCELL3D\n LERROR = .TRUE.\n ENDIF\n\n WRITE( VAL1, 94000 ) YCELL1\n WRITE( VAL2, 94000 ) YCELL3D\n IF( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94340 ) YCELL1, N, YCELL3D\n LERROR = .TRUE.\n ENDIF\n\n WRITE( VAL1, 94000 ) XCENT1\n WRITE( VAL2, 94000 ) XCENT3D\n IF( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94360 ) XCENT1, N, XCENT3D\n LERROR = .TRUE.\n ENDIF\n\n WRITE( VAL1, 94000 ) YCENT1\n WRITE( VAL2, 94000 ) YCENT3D\n IF( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94380 ) YCENT1, N, YCENT3D\n LERROR = .TRUE.\n ENDIF\n\n WRITE( VAL1, 94000 ) VGTOP1\n WRITE( VAL2, 94000 ) VGTOP3D\n IF( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94420 ) VGTOP1, N, VGTOP3D\n LERROR = .TRUE.\n ENDIF\n\n DO L = 1 , NLAYS1 + 1\n WRITE( VAL1, 94000 ) VGLVS1( L )\n WRITE( VAL2, 94000 ) VGLVS3D( L )\n IF( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94440 ) L, VGLVS1( L ), N, L,\n & VGLVS3D( L ) \n LERROR = .TRUE.\n ENDIF\n ENDDO\n \n IF( .NOT. LERROR ) THEN\n WRITE( LOGUNIT, 94460 )\n ELSE\n LSTOP = .TRUE.\n ENDIF\n\n\n ENDDO\n\n IF( LSTOP ) THEN\n MSG = 'Missing variable or file inconsistencies detected: stopping' \n CALL M3ERR( PNAME, 0, 0, MSG, .TRUE. )\n ENDIF\n \n RETURN\n\nC************************* FORMAT STATEMENTS ***************************\n\n94000 FORMAT( E15.5 )\n94020 FORMAT(10X, 'FTYPE1 = ', I3, ' FTYPE', I1, ' = ', I3 )\n94040 FORMAT(10X, 'NCOLS1 = ', I3, ' NCOLS', I1, ' = ', I3 )\n94060 FORMAT(10X, 'NROWS1 = ', I3, ' NROWS', I1, ' = ', I3 )\n94080 FORMAT(10X, 'NLAYS1 = ', I3, ' NLAYS', I1, ' = ', I3 )\n94100 FORMAT(10X, 'SDATE1 = ', I3, ' SDATE', I1, ' = ', I3 )\n94120 FORMAT(10X, 'STIME1 = ', I3, ' STIME', I1, ' = ', I3 )\n94140 FORMAT(10X, 'TSTEP1 = ', I3, ' TSTEP', I1, ' = ', I3 )\n94160 FORMAT(10X, 'MXREC1 = ', I3, ' MXREC', I1, ' = ', I3 )\n94180 FORMAT(10X, 'NTHIK1 = ', I3, ' NTHIK', I1, ' = ', I3 )\n94200 FORMAT(10X, 'GDTYP1 = ', I3, ' GDTYP', I1, ' = ', I3 )\n94220 FORMAT(10X, 'P_ALP1 = ', 1PE12.5, ' P_ALP', I1, ' = ', 1PE12.5 )\n94240 FORMAT(10X, 'P_BET1 = ', 1PE12.5, ' P_BET', I1, ' = ', 1PE12.5 )\n94260 FORMAT(10X, 'P_GAM1 = ', 1PE12.5, ' P_GAM', I1, ' = ', 1PE12.5 )\n94280 FORMAT(10X, 'XORIG1 = ', 1PE12.5, ' XORIG', I1, ' = ', 1PE12.5 )\n94300 FORMAT(10X, 'YORIG1 = ', 1PE12.5, ' YORIG', I1, ' = ', 1PE12.5 )\n94320 FORMAT(10X, 'XCELL1 = ', 1PE12.5, ' XCELL', I1, ' = ', 1PE12.5 )\n94340 FORMAT(10X, 'YCELL1 = ', 1PE12.5, ' YCELL', I1, ' = ', 1PE12.5 )\n94360 FORMAT(10X, 'XCENT1 = ', 1PE12.5, ' XCENT', I1, ' = ', 1PE12.5 )\n94380 FORMAT(10X, 'YCENT1 = ', 1PE12.5, ' YCENT', I1, ' = ', 1PE12.5 )\n94420 FORMAT(10X, 'VGTOP1 = ', 1PE12.5, ' VGTOP', I1, ' = ', 1PE12.5 )\n94440 FORMAT(10X, 'VGLVS1(', I2, ' ) = ', 1PE12.5, ' VGLVS', I1,\n & '(', I2, ' ) = ', 1PE12.5 )\n94445 FORMAT(10X, 'Variable ', A, ' not on file ', A )\n94460 FORMAT(10X, 'NONE' )\n\n END\n" }, { "path": "POST/hr2day/src/getTZ.F", "content": "!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC\nC function to compute time zone offset from lat/lon \nC\nC The routine requires file \"tz.csv\" for timezone data\nC \nCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC\n Real Function getTZ(longitude, latitude) result(tzoffset)\n\n Implicit None\n\n ! defined type for line curve\n TYPE LINE\n Integer npts\n Character*(20) name\n Real offset\n Real xmin, xmax, ymin, ymax\n Real, Pointer :: x(:) \n Real, Pointer :: y(:)\n End TYPE LINE \n\n ! defined type for array points used for different size arrays\n TYPE POINTS\n Real, Pointer :: x(:,:)\n Real, Pointer :: y(:,:)\n End TYPE POINTS\n\n\n ! arguments\n Real latitude, longitude\n\n ! function\n Real getValue\n Logical inArea\n\n ! default Timezone data file\n Character*(256), Parameter :: defaultTZ = 'tz.csv' \n\n ! saved variables\n Logical, save :: firstime=.true.\n Integer, save :: nlines\n TYPE (LINE),allocatable,save :: lines(:)\n TYPE (POINTS),allocatable,save :: pts(:) !pointer used for differsize arrays\n\n ! create different size arrays for storing line points\n Real,target,allocatable,save :: lon1(:,:)\n Real,target,allocatable,save :: lat1(:,:)\n\n Real,target,allocatable,save :: lon2(:,:)\n Real,target,allocatable,save :: lat2(:,:)\n\n Real,target,allocatable,save :: lon3(:,:)\n Real,target,allocatable,save :: lat3(:,:)\n\n Real,target,allocatable,save :: lon4(:,:)\n Real,target,allocatable,save :: lat4(:,:)\n\n Real,target,allocatable,save :: lon5(:,:)\n Real,target,allocatable,save :: lat5(:,:)\n\n Real,target,allocatable,save :: lon6(:,:)\n Real,target,allocatable,save :: lat6(:,:)\n\n Real,target,allocatable,save :: lon7(:,:)\n Real,target,allocatable,save :: lat7(:,:)\n\n Real,target,allocatable,save :: lon8(:,:)\n Real,target,allocatable,save :: lat8(:,:)\n\n Real,target,allocatable,save :: lon9(:,:)\n Real,target,allocatable,save :: lat9(:,:)\n\n\n ! local variables\n Character*(256) tzfile\n Character*(120) record\n Character*(32) field\n Integer npts\n Integer i, j, status\n Real lat(20000), lon(20000), long \n Integer count(9), sizes(9)\n Integer nx, nfound, nsort\n Real xsec(1000), ysec(1000), temp\n\n Integer :: lfn=15\n\n Data sizes/50,100,200,500,1000,2000,5000,10000,20000/\n\n if( firstime ) then\n\n firstime = .false.\n\n ! get tz file name\n CALL ENVSTR('TZFILE','Time zone data file',defaultTZ,tzFile,status)\n\n ! open tz boundary file\n open(unit=lfn,file=tzFile,status='OLD',iostat=status)\n if(status.ne.0) then\n write(*,'(//''**ERROR** Cannot open time zone data file:'',a,//)') TRIM(tzFile)\n Stop\n endif\n\n count = 0\n nlines = 0\n \n ! read tz data file and count number of lines needed\n do \n read(lfn,'(a)',iostat=status) record\n if(status.ne.0) exit\n if ( ADJUSTL(record(1:1)).eq.'#' ) then\n write(*,*) '# Comments are not used', record\n cycle\n endif\n\n Call getField( record, ',', 1, field ) \n read(field,'(i16)') npts \n \n nlines = nlines+1\n\n ! update count\n do i=1,SIZE(count)\n if(npts.le.sizes(i)) then\n count(i) = count(i) + 1\n EXIT\n endif \n enddo\n\n ! read point records\n do i=1,npts\n read(lfn,'(a)',iostat=status) record\n if(status.ne.0) then\n write(*,'(''Read error on record:'',a)') trim(record)\n stop\n endif \n enddo\n enddo\n rewind(lfn)\n\n ! allocate lines and pointers\n Allocate( lines(nlines) )\n Allocate( pts(SIZE(count)) )\n\n ! asign pointers to size arrays\n pts(1)%x => lon1\n pts(1)%y => lat1\n pts(2)%x => lon2\n pts(2)%y => lat2\n pts(3)%x => lon3\n pts(3)%y => lat3\n pts(4)%x => lon4\n pts(4)%y => lat4\n pts(5)%x => lon5\n pts(5)%y => lat5\n pts(6)%x => lon6\n pts(6)%y => lat6\n pts(7)%x => lon7\n pts(7)%y => lat7\n pts(8)%x => lon8\n pts(8)%y => lat8\n pts(9)%x => lon9\n pts(9)%y => lat9\n\n ! allocate point arrays for each size using pointers\n do i=1,SIZE(count)\n Allocate( pts(i)%x(sizes(i),count(i)) )\n Allocate( pts(i)%y(sizes(i),count(i)) )\n enddo\n\n ! read each line and set pointers\n nlines = 0 \n count = 0\n do \n read(lfn,'(a)',iostat=status) record\n if(status.ne.0) exit\n if ( ADJUSTL(record(1:1)).eq.'#' ) then\n ! write(*,*) '# Comments are not used', record\n cycle\n endif\n nlines = nlines+1\n\n Call getField( record, ',', 1, field ) \n read(field,'(i16)') lines(nlines)%npts \n Call getField( record, ',', 2, field ) \n read(field,'(f16.0)') lines(nlines)%offset \n Call getField( record, ',', 3, field ) \n lines(nlines)%name = field\n \n ! read points into lat and lon arrays \n do i=1,lines(nlines)%npts\n read(lfn,'(a)',iostat=status) record\n if(status.ne.0) then\n write(*,'(''Read error on record:'',a)') trim(record)\n stop\n endif \n Call getField( record, ',', 1, field ) \n read(field,'(f32.0)') lon(i)\n Call getField( record, ',', 2, field ) \n read(field,'(f32.0)') lat(i)\n enddo\n\n ! compute min and max for each line\n lines(nlines)%xmin = lon(1)\n lines(nlines)%xmax = lon(1) \n lines(nlines)%ymin = lat(1)\n lines(nlines)%ymax = lat(1) \n do i=1,lines(nlines)%npts\n if(lon(i) .lt. lines(nlines)%xmin) lines(nlines)%xmin = lon(i)\n if(lon(i) .gt. lines(nlines)%xmax) lines(nlines)%xmax = lon(i)\n if(lat(i) .lt. lines(nlines)%ymin) lines(nlines)%ymin = lat(i)\n if(lat(i) .gt. lines(nlines)%ymax) lines(nlines)%ymax = lat(i)\n enddo\n\n ! copy arrays to correct size array using pointers\n do i=1,SIZE(count)\n if(lines(nlines)%npts.le.sizes(i)) then\n count(i) = count(i) + 1\n pts(i)%x(1:lines(nlines)%npts,count(i)) = lon(1:lines(nlines)%npts)\n pts(i)%y(1:lines(nlines)%npts,count(i)) = lat(1:lines(nlines)%npts)\n lines(nlines)%x => pts(i)%x(:,count(i))\n lines(nlines)%y => pts(i)%y(:,count(i))\n EXIT\n endif\n enddo\n\n enddo\n close(lfn)\n endif ! firstime\n \n\n ! find all intersecting points at longitude\n nx = 0\n do i = 1, nlines\n if(lines(i)%xmin.le.longitude .and. longitude.le.lines(i)%xmax) then\n Call getValues(longitude, lines(i)%npts, lines(i)%x, lines(i)%y, nfound, lat) \n\n ! check if point lies in line area\n if( nfound.ge.2 .and. lines(i)%ymin.le.latitude .and. latitude.le.lines(i)%ymax ) then\n if( inArea( latitude, nfound, lat) ) then\n !write(*,'(''point lies in area'',i5)') i\n tzoffset = -lines(i)%offset\n return \n endif\n endif\n\n ! add lat values to array\n do j=1,nfound\n nx = nx+1\n xsec(nx) = lat(j) \n ysec(nx) = lines(i)%offset\n enddo \n endif\n enddo \n\n\n ! if more than 1 intersecting point found, sort them\n if( nx.gt.1 ) then\n nsort = nx\n do\n nfound=0\n nsort = nsort-1\n do i=1,nsort\n if( xsec(i).gt.xsec(i+1) ) then\n temp = xsec(i)\n xsec(i) = xsec(i+1)\n xsec(i+1) = temp\n temp = ysec(i)\n ysec(i) = ysec(i+1)\n ysec(i+1) = temp\n nfound=1\n endif\n enddo\n if(nfound.eq.0) EXIT\n enddo \n\n ! check for within 1.0 degrees\n!\t commented out by chogrefe; this part does not seem to work for hemispheric grids\n\n! if( latitude+1.0 .ge. xsec(1) ) then\n! tzoffset = -ysec(i)\n! return\n! endif\n \n! if( latitude-1.0 .le. xsec(nx) ) then\n! tzoffset = -ysec(nx)\n! return\n! endif\n\n if( latitude .ge. xsec(i) .and. latitude .le. xsec(nx) ) then\n do i=1,nx-1\n if(latitude.ge.xsec(i) .and. latitude.le.xsec(i+1)) then \n if( ysec(i).eq.ysec(i+1) .and. xsec(i+1)-xsec(i).lt.2.0 ) then\n tzoffset = -ysec(i)\n !write(*,'(''point lies between areas'')')\n return\n endif\n endif\n enddo \n endif\n\n endif\n \n ! compute tzoffset from longitude\n long = abs(longitude)\n tzoffset = (long+7.5) / 15\n if(longitude.gt.0) tzoffset = -tzoffset\n !write(*,'(''offset computed by longitude'',F16.6,F6.2)') longitude,tzoffset\n return\n end Function getTZ \n \n\nCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC\nC Subroutine to get intersecting values from array\nCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC\n Subroutine getValues(xx, npts, x, y, nfound, yy)\n \n Implicit None\n \n ! arguments\n Real xx\n Integer npts\n Real x(*)\n Real y(*)\n Integer nfound\n Real yy(*)\n\n Real slope\n Integer i\n nfound = 0\n\n do i=1,npts-1\n ! BHH: Using same ordering exclusion to prevent double counting\n ! For example, if a target point (xx, yy) shares an x position\n ! with a vertex of the polygon, the old code would intersect\n ! both the line segment coming to and going away from the\n ! vertex. This violates the assumptions in inArea and leads\n ! to an odd number of intersections (one is a complete\n ! duplicate). Because inArea does not check for duplicates,\n ! double counting can potentially result in a incorrect\n ! result.\n if( (xx.ge.x(i) .and. xx.lt.x(i+1)) .or.\n & (xx.ge.x(i+1) .and. xx.lt.x(i)) ) then \n nfound = nfound+1\n slope = 1.0\n if( x(i).ne.x(i+1) ) slope = (y(i)-y(i+1)) / (x(i)-x(i+1))\n yy(nfound) = y(i) + slope * (xx - x(i))\n \n endif\n enddo\n\n return\n end Subroutine getValues\n\nCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC\nC function to get value from array table\nCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC\n Real Function getValue(xx, npts, x, y) result(yy)\n \n Implicit None\n \n Real xx\n Integer npts\n Real x(*)\n Real y(*)\n\n Real slope\n\n Integer i\n\n do i=1,npts-1\n\n if( (xx.ge.x(i) .and. xx.lt.x(i+1)) .or.\n & (xx.le.x(i) .and. xx.gt.x(i+1)) ) then \n\n slope = 1.0\n if( x(i).ne.x(i+1) ) slope = (y(i)-y(i+1)) / (x(i)-x(i+1))\n yy = y(i) + slope * (xx - x(i))\n return\n endif\n enddo\n\n yy = 0.0\n return\n end Function getValue\n \n\nCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC\nC function to check if latitude is in line area\nCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC\n Logical Function inArea( x, nval, values) result(result)\n \n Implicit None\n \n ! arguments\n Real x\n Integer nval\n Real values(*)\n\n ! local variables\n Integer nsort\n Integer i, ltv, gtv, eqv\n logical sorted\n Real temp\n\n result = .false.\n ! sort the values\n nsort = nval\n do\n sorted = .true.\n nsort = nsort-1\n do i=1,nsort\n if( values(i).gt.values(i+1) ) then\n temp = values(i)\n values(i) = values(i+1)\n values(i+1) = temp\n sorted=.false.\n endif\n enddo\n if(sorted) EXIT\n enddo \n ! check if x is between values\n do i=1,nval-1,2\n if( x.ge.values(i) .and. x.le.values(i+1) ) result = .true.\n enddo\n\n ! BHH: alternative method is to check for odd/even intersections\n ! does not require sorting, but also requires only unique\n ! vertices. Put in for posterity. Future revisions may choose\n ! this method\n !\n !ltv = 0\n !gtv = 0 \n !do i=1,nval\n ! if ( x.gt.values(i) ) gtv = gtv + 1\n ! if ( x.lt.values(i) ) ltv = ltv + 1\n ! if ( x.eq.values(i) ) eqv = ltv + 1\n !enddo\n !\n ! odd intersections in both directions means inside.\n ! even intersections in both directions means outside.\n !if ( (MOD(gtv, 2).eq.1).and.(MOD(ltv, 2).eq.1) ) result = .true.\n !\n ! if on an exteror linearring abutting another, it could be assigned\n ! to either polygon. This would assign true to both.\n !if ( eqv.gt.0 ) result = .true.\n\n return\n end Function inArea\n" }, { "path": "POST/hr2day/src/hr2day.F", "content": "!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n PROGRAM HR2DAY\nC****************************************************************************************\nC Converts hourly data values to daily\nC \nC Using 11 different operations\nC [sum, avg, min, max, hr@min, hr@max, @maxT, maxdif, 8hrmax, w126,\nC @8hrmaxO3, hr@8hrmax, sum06]\nC\nC sum - sums the 24 hour values\nC avg - sums the 24 values and divides by 24\nC min - uses the minimum hourly value\nC max - uses the maximum hourly value\nC hr@min - hour at the minimum hourly value\nC hr@max - hour at the maximum hourly value\nC @maxT - uses the hourly value at maximum temperature\nC maxdif - uses the maximum hourly change\nC 8hrmax - uses the maximum 8 hour period \nC w126 - calculates daily w126 index values for use in secondary\nC ozone standard calculations \nC @8hrmaxO3 - averages the value within the 8-hr-max ozone period\nC hr@8hrmax - Starting hour of the 8-hr-max period\nC sum06 - sums all values>=0.06ppm between 8am & 8pm\nC\nC A daily value is marked as missing when fewer then 18 hourly values\nC are valid. For 8-hr-max calculations, each 8-hour period must have\nC six or more valid hourly values.\nC \nC USELOCAL using local time, else uses GMT\nC\nc PROGRAM hr2day.exe\nc\nC*******************************************************************************\n USE M3UTILIO\n USE species_def\n USE evaluator\n USE ENV_VARS\n USE M3FILES\n USE GRID_DATA\n USE TIME_STEP\n\n IMPLICIT NONE\n\nC External functions\n real getTZ\n\nC local variables\n integer status\n logical rstatus\n integer logdev\n integer c, r, n, h, i \n integer tzadj, hr1\n integer curdate, curtime, cdate, ctime\n integer first_date, first_time, last_date, last_time, runlen\n real x,y,longitude,latitude\n\n character*(256) MSG\n character*(16) PNAME\n DATA PNAME / 'hr2day' /\n\nC Array to store hourly input values\n real, allocatable :: hrValues (:, :, :)\n real, allocatable :: dayValues (:, :)\n integer, allocatable :: tzoffset(:,:)\n real, allocatable :: ftzoffset(:,:)\n integer, allocatable :: offset(:,:)\n\n\nC... start program\n logdev = init3 ()\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get the Models-3 file(s) to process and the other environment \nc variables\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n CALL OPEN_M3FILES\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Check the file(s) for consistency and make sure the requested \nc species is on the file(s)\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n CALL CK_M3FLS()\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get the grid definition and the tsteps from the M3 files\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n CALL GET_M3GRID\n\n CALL GET_TSTEPS\n\n\nC... load file description from first INFILE\n IF( .NOT. DESC3 ( M3_FLNAME( 1 ) ) ) THEN\n MSG = 'Could not read DESC of ' // M3_FLNAME( 1 ) \n & // ' file'\n CALL M3ERR( PNAME, 0, 0, MSG, .TRUE. )\n ENDIF\n\nC... check for 1 hour time step\n if( TSTEP3D.ne.10000 ) then\n Call m3err(PNAME, 0, 0, 'Input file must have One hour time step', .TRUE.)\n endif\n\nC... get environment variables\n call GET_ENVS \nc\nc... set up the correct projection\nc \n if (GDTYP3D.eq.1) then !lat/lon, nothing to initialize\n continue\n elseif (GDTYP3D.eq.2) then !initialize Lambert projection\n if( .NOT. SETLAM( Real(P_ALP3D), Real(P_BET3D), Real(P_GAM3D), \n & Real(XCENT3D), Real(YCENT3D) )) then \n Call m3exit (PNAME, 0, 0, 'Lambert projection setup error', xstat2)\n endif \n elseif (GDTYP3D.eq.6) then !initialize polar stereographic projection\n if( .NOT. SETPOL( Real(P_ALP3D), Real(P_BET3D), Real(P_GAM3D), \n & Real(XCENT3D), Real(YCENT3D) )) then \n Call m3exit (PNAME, 0, 0, 'Polar Stereographic projection setup error', xstat2)\n endif \n elseif (GDTYP3D.eq.7) then !initialize equatorial mercator projection\n if( .NOT. SETEQM( Real(P_ALP3D), Real(P_BET3D), Real(P_GAM3D), \n & Real(XCENT3D), Real(YCENT3D) )) then \n Call m3exit (PNAME, 0, 0, 'Equatorial mercator projection setup error', xstat2)\n endif \n else\n Call m3exit (PNAME, 0, 0, 'Grid projection not supported', xstat2) \n endif\n\nC... store first and last day/time to process from module_tstep (across all input files) \n first_date = STEP_DATE(1)\n first_time = STEP_TIME(1) \n last_date = STEP_DATE(NSTEPS)\n last_time = STEP_TIME(NSTEPS) \n\nc... adjust first and last date based on START_DATE and END_DATE envvars\n\n first_date = MAX( first_date, START_DATE)\n last_date = MIN( last_date, END_DATE)\n \nC... get species definitions from system variables\n Call loadSpecies()\n\nC... create output file\n NLAYS3D = 1\n SDATE3D = first_date \n STIME3D = 000000 \n TSTEP3D = 240000\n NVARS3D = NSPECVAR\n do n = 1, NSPECVAR\n VNAME3D(n) = SPECVARS(n)%NAME\n VDESC3D(n) = SPECVARS(n)%DESCRIPTION\n UNITS3D(n) = SPECVARS(n)%UNITS\n VTYPE3D(n) = M3REAL\n enddo\n\n if(.not. open3('OUTFILE',3,PNAME)) then\n if(.not. open3('OUTFILE',2,PNAME)) then\n Call m3err('average', 0, 0, 'Could not open OUTFILE file',.TRUE.)\n endif\n endif\n\nC... Allocate memory for data arrays\n Allocate( tzoffset(NCOLS3D, NROWS3D) )\n Allocate( ftzoffset(NCOLS3D, NROWS3D) )\n Allocate( offset(NCOLS3D, NROWS3D) )\n Allocate( hrValues (-36:66, NCOLS3D, NROWS3D) )\n Allocate( dayValues (NCOLS3D, NROWS3D) )\n\n ! set tzoffset array values \n ftzoffset = 0\n tzoffset = 0\n if( useLocal ) then\n write(*,'(/,''Computing timezone offsets for grid cells'',/)')\n do r=1,NROWS3D\n do c=1,NCOLS3D\n x = XORIG3D + (c-0.5) * XCELL3D\n y = YORIG3D + (r-0.5) * YCELL3D\n \n if (GDTYP3D.eq.1) then !lat/lon grid, x/y already lon/lat\n longitude=x\n latitude=y\n elseif (GDTYP3D.eq.2) then ! convert Lambert coordinates to lat/lon\n if( .NOT. LAM2LL(x, y, longitude, latitude) ) then\n Call m3exit (PNAME, 0, 0, 'Lat/Lon conversion error', xstat2)\n endif\n elseif (GDTYP3D.eq.6) then !convert polar stereographic coordinates to lat/lon\n if( .NOT. POL2LL(x, y, longitude, latitude) ) then\n Call m3exit (PNAME, 0, 0, 'Lat/Lon conversion error', xstat2)\n endif\n elseif (GDTYP3D.eq.7) then !convert equatorial mercator coordinates to lat/lon\n if( .NOT. EQM2LL(x, y, longitude, latitude) ) then\n Call m3exit (PNAME, 0, 0, 'Lat/Lon conversion error', xstat2)\n endif\n else\n Call m3exit (PNAME, 0, 0, 'Grid projection not supported', xstat2) \n endif\n\n ftzoffset(c,r) = getTZ(longitude, latitude)\n tzoffset(c,r) = ftzoffset(c,r)\n enddo\n enddo\n endif\n\nC... reload file description from INFILE\n IF( .NOT. DESC3 ( M3_FLNAME( 1 ) ) ) THEN\n MSG = 'Could not read DESC of ' // M3_FLNAME( 1 ) \n & // ' file'\n CALL M3ERR( PNAME, 0, 0, MSG, .TRUE. )\n ENDIF\n\nC... start loop to read and process each variable\n do n = 1, NSPECVAR\n hr1 = -36\n curDate = first_date\n curTime = first_time\n hrValues = BADVAL3\n dayValues = BADVAL3\n\n ! start loops to read hourly values for each day \n Do\n cDate = curDate\n cTime = hr1 * 10000\n offset = tzoffset\n if(useDST .and. isDSTime(cDate)) offset = offset - 1 ! adjustment for daylight savings time\n call NEXTIME(cDate,cTime,0) !reformat to make sure hours are between 0 and 23\n Do h=hr1,66\n rstatus = .false.\n hrValues(h,:,:) = BADVAL3\n if( (SECSDIFF(STEP_DATE(1), STEP_TIME(1), cdate, ctime) .ge. 0)\n & .and. (SECSDIFF(cdate, ctime, STEP_DATE(NSTEPS), STEP_TIME(NSTEPS)) .ge. 0) ) then\n Call evaluate(SPECVARS(n)%EXPRESSION, cdate, ctime, 1, NCOLS3D*NROWS3D, hrValues(h,:,:))\n endif\n Call NEXTIME(cDate, cTime, 10000)\n enddo\n\n ! compute daily values\n if( SPECVARS(n)%OPERATION .eq. 'SUM' ) then\n Call sumValues(hrValues, dayValues, offset)\n endif\n\n if( SPECVARS(n)%OPERATION .eq. 'AVG' ) then\n Call avgValues(hrValues, dayValues, offset)\n endif\n\n if( SPECVARS(n)%OPERATION .eq. 'MIN' ) then\n Call minValues(hrValues, dayValues, offset)\n endif\n\n if( SPECVARS(n)%OPERATION .eq. 'MAX' ) then\n Call maxValues(hrValues, dayValues, offset)\n endif\n\n if( SPECVARS(n)%OPERATION .eq. 'HR@MIN' ) then\n Call minHrValues(hrValues, dayValues, offset)\n endif\n\n if( SPECVARS(n)%OPERATION .eq. 'HR@MAX' ) then\n Call maxHrValues(hrValues, dayValues, offset)\n endif\n\n if( SPECVARS(n)%OPERATION .eq. '@MAXT' ) then\n Call maxTValues(hrValues, dayValues, offset, curDate)\n endif\n\n if( SPECVARS(n)%OPERATION .eq. 'MAXDIF' ) then\n Call maxDifValues(hrValues, dayValues, offset)\n endif\n\n if( SPECVARS(n)%OPERATION .eq. '8HRMAX' ) then\n Call max8hr(hrValues, dayValues, offset)\n endif\n\n if( SPECVARS(n)%OPERATION .eq. 'W126' ) then\n Call w126_daily(hrValues, dayValues, offset, SPECVARS(n)%UNITS)\n endif\n\n if( SPECVARS(n)%OPERATION .eq. '@8HRMAXO3' ) then\n Call maxO3Values(hrValues, dayValues, offset, curDate)\n endif\n\n if( SPECVARS(n)%OPERATION .eq. 'HR@8HRMAX' ) then\n Call max8hrHour(hrValues, dayValues, offset)\n endif\n\n if( SPECVARS(n)%OPERATION .eq. 'SUM06' ) then\n Call sum06(hrValues, dayValues, offset, SPECVARS(n)%UNITS)\n endif\n\n if( SPECVARS(n)%OPERATION .eq. 'TZ' ) then\n dayValues(:,:) = -REAL(ftzoffset(:,:))\n endif\n\n ! write daily values to output\n if(.not.write3('OUTFILE',SPECVARS(n)%NAME,curDate,000000,dayValues)) then\n Call m3err (PNAME, curDate, 0, 'Write Error for ' // SPECVARS(n)%NAME, .TRUE.)\n endif\n\n ! copy current day's values to next day\n do h = -36, 42\n hrValues( h,:,:) = hrvalues(h+24,:,:) \n enddo\n\n ! go to next time step\n Call NEXTIME(curdate, curtime, 240000) \n\n ! if current date at noon is past last date and time, then exit loop\n if(SECSDIFF(curDate, 120000, last_date, last_time) .le. 0) EXIT\n\n hr1 = 43\n endDo ! end (time-step-loop)\n\n enddo ! var loop\n\n rstatus = SHUT3 ()\n stop\n END Program HR2DAY\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc\nc Routine to sum hourly values at each cell\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n Subroutine sumValues(hrValues, dayValues, tzoffset) \n\n USE M3UTILIO\n USE ENV_VARS\n\n IMPLICIT NONE\n\nC... arguments\n Real hrValues(-36:66, NCOLS3D, NROWS3D)\n Real dayValues(NCOLS3D, NROWS3D)\n Integer tzoffset(NCOLS3D, NROWS3D)\n\nC... local variables\n Integer c, r, h, count\n Real sum\n \nC... start loops to find daily sum\n Do r = 1, NROWS3D\n Do c = 1, NCOLS3D\n dayValues(c,r) = BADVAL3\n sum = 0.0\n count = 0\n Do h = tzoffset(c,r)+startHr ,tzoffset(c,r)+endHr\n if( hrValues(h,c,r) .gt. BADVAL3 ) then\n count = count+1\n sum = sum + hrValues(h,c,r)\n endif\n endDo ! end hour loop\n if(partDay .or. count.ge.18) dayValues(c,r) = sum\n endDo ! end column loop\n endDo ! end row loop\n\n return\n end Subroutine sumValues\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc\nc Routine to average hourly values at each cell\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n Subroutine avgValues(hrValues, dayValues, tzoffset) \n\n USE M3UTILIO\n USE ENV_VARS\n\n IMPLICIT NONE\n\nC... arguments\n Real hrValues(-36:66, NCOLS3D, NROWS3D)\n Real dayValues(NCOLS3D, NROWS3D)\n Integer tzoffset(NCOLS3D, NROWS3D)\n\nC... local variables\n Integer c, r, h, count\n Real sum\n \nC... start loops to find daily sum\n Do r = 1, NROWS3D\n Do c = 1, NCOLS3D\n dayValues(c,r) = BADVAL3\n sum = 0.0\n count = 0\n Do h = tzoffset(c,r)+startHr ,tzoffset(c,r)+endHr\n if( hrValues(h,c,r) .gt. BADVAL3 ) then\n count = count+1\n sum = sum + hrValues(h,c,r)\n endif\n endDo ! end hour loop\n if( count.ge.18 ) dayValues(c,r) = sum/count\n if(partDay .and. count.ge.1) dayValues(c,r) = sum/count\n endDo ! end column loop\n endDo ! end row loop\n\n return\n end Subroutine avgValues\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc\nc Routine to find the minimum hourly value at each cell\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n Subroutine minValues(hrValues, dayValues, tzoffset)\n\n USE M3UTILIO\n USE ENV_VARS\n\n IMPLICIT NONE\n\nC... arguments\n Real hrValues(-36:66, NCOLS3D, NROWS3D)\n Real dayValues(NCOLS3D, NROWS3D)\n Integer tzoffset(NCOLS3D, NROWS3D)\n\nC... local variables\n Integer c, r, h, count\n Real minValue\n\nC... start loops to find daily sum\n Do r = 1, NROWS3D\n Do c = 1, NCOLS3D\n count = 0\n dayValues(c,r) = BADVAL3\n minValue = 1.0E32 \n Do h = tzoffset(c,r)+startHr ,tzoffset(c,r)+endHr\n if( hrValues(h,c,r) .gt. BADVAL3 ) then\n count = count+1\n if( hrValues(h,c,r).lt.minValue ) minValue = hrValues(h,c,r)\n endif\n endDo ! end hour loop\n if(partDay .or. count.ge.18) dayValues(c,r) = minValue\n endDo ! end column loop\n endDo ! end row loop\n\n return\n end Subroutine minValues\n \n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc\nc Routine to find the hour at the minimum hourly value at each cell\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n Subroutine minHrValues(hrValues, dayValues, tzoffset)\n\n USE M3UTILIO\n USE ENV_VARS\n\n IMPLICIT NONE\n\nC... arguments\n Real hrValues(-36:66, NCOLS3D, NROWS3D)\n Real dayValues(NCOLS3D, NROWS3D)\n Integer tzoffset(NCOLS3D, NROWS3D)\n\nC... local variables\n Integer c, r, h, count\n Real minValue\n Real minHour \n\nC... start loops to find daily sum\n Do r = 1, NROWS3D\n Do c = 1, NCOLS3D\n count = 0 \n dayValues(c,r) = BADVAL3\n minValue = 1.0E32\n minHour = BADVAL3\n Do h = tzoffset(c,r)+startHr ,tzoffset(c,r)+endHr\n if( hrValues(h,c,r) .gt. BADVAL3 ) then\n count = count+1\n if( hrValues(h,c,r).lt.minValue ) then\n minValue = hrValues(h,c,r)\n minHour = h - tzoffset(c,r)\n endif\n endif\n endDo ! end hour loop\n if(partDay .or. count.ge.18) dayValues(c,r) = minHour \n endDo ! end column loop\n endDo ! end row loop\n\n return\n end Subroutine minHrValues\n\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc\nc Routine to find the maximum hourly value at each cell\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n Subroutine maxValues(hrValues, dayValues, tzoffset)\n\n USE M3UTILIO\n USE ENV_VARS\n\n IMPLICIT NONE\n\nC... arguments\n Real hrValues(-36:66, NCOLS3D, NROWS3D)\n Real dayValues(NCOLS3D, NROWS3D)\n Integer tzoffset(NCOLS3D, NROWS3D)\n\nC... local variables\n Integer c, r, h, count\n Real maxValue\n\nC... start loops to find daily sum\n Do r = 1, NROWS3D\n Do c = 1, NCOLS3D\n maxValue = BADVAL3\n dayValues(c,r) = BADVAL3\n count = 0\n Do h = tzoffset(c,r)+startHr ,tzoffset(c,r)+endHr\n if( hrValues(h,c,r) .gt. BADVAL3 ) then\n count = count+1\n if( hrValues(h,c,r) .gt. maxValue ) maxValue = hrValues(h,c,r)\n endif\n endDo ! end hour loop\n if(partDay .or. count.ge.18) dayValues(c,r) = maxValue\n endDo ! end column loop\n endDo ! end row loop\n\n return\n end Subroutine maxValues\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc\nc Routine to find the hour at the maximum hourly value at each cell\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n Subroutine maxHrValues(hrValues, dayValues, tzoffset)\n\n USE M3UTILIO\n USE ENV_VARS\n\n IMPLICIT NONE\n\nC... arguments\n Real hrValues(-36:66, NCOLS3D, NROWS3D)\n Real dayValues(NCOLS3D, NROWS3D)\n Integer tzoffset(NCOLS3D, NROWS3D)\n\nC... local variables\n Integer c, r, h, count\n Real maxValue\n Real maxHour \n\nC... start loops to find daily sum\n Do r = 1, NROWS3D\n Do c = 1, NCOLS3D\n maxValue = BADVAL3\n maxHour = BADVAL3\n dayValues(c,r) = BADVAL3\n count = 0\n Do h = tzoffset(c,r)+startHr ,tzoffset(c,r)+endHr\n if( hrValues(h,c,r) .gt. BADVAL3 ) then\n count = count+1\n if( hrValues(h,c,r) .gt. maxValue ) then\n maxValue = hrValues(h,c,r)\n maxHour = h - tzoffset(c,r)\n endif\n endif\n endDo ! end hour loop\n if(partDay .or. count.ge.18) dayValues(c,r) = maxHour \n endDo ! end column loop\n endDo ! end row loop\n\n return\n end Subroutine maxHrValues\n\n \n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc\nc Routine to find the value when at maximum temperature\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n Subroutine maxTValues(hrValues, dayValues, tzoffset, curDate)\n\n USE M3UTILIO\n USE ENV_VARS\n USE M3FILES\n USE TIME_STEP\n\n IMPLICIT NONE\n\nC... arguments\n Real hrValues(-36:66, NCOLS3D, NROWS3D)\n Real dayValues(NCOLS3D, NROWS3D)\n Integer tzoffset(NCOLS3D, NROWS3D)\n Integer curDate\n\nC... local variables\n Integer status\n Logical, save :: first=.true. \n Integer, save :: first_date\n Integer, save :: first_time\n Integer, save :: last_date\n Integer, save :: last_time\n\n Real, save,allocatable :: tvalues(:,:,:)\n Integer runlen\n INTEGER ISTEP\n Integer c, r, h, count\n Integer cdate, ctime\n Real maxTemp, value\n\n\nC... first pass\n if( first ) then\n first = .false.\n Allocate ( tvalues(-36:66, NCOLS3D, NROWS3D) )\n\nC... store first and last day/time to process from module_tstep (across all input files) \n first_date = STEP_DATE(1)\n first_time = STEP_TIME(1) \n last_date = STEP_DATE(NSTEPS)\n last_time = STEP_TIME(NSTEPS) \n\nc... adjust first and last date based on START_DATE and END_DATE envvars\n\n first_date = MAX( first_date, START_DATE)\n last_date = MIN( last_date, END_DATE)\n endif ! first pass\n \nC... read temperature values and fill tvalues array\n cdate = curDate\n ctime = -36 * 10000\n call NEXTIME(cDate,cTime,0) !reformat to make sure hours are between 0 and 23\n tvalues = BADVAL3\n do h=-36,66\n\n if( (SECSDIFF(STEP_DATE(1), STEP_TIME(1), cdate, ctime) .ge. 0)\n & .and. (SECSDIFF(cdate, ctime, STEP_DATE(NSTEPS), STEP_TIME(NSTEPS)) .ge. 0) ) then\n\n ISTEP = FIND2( CDATE, CTIME, NSTEPS, STEP_DATE, STEP_TIME)\n\n if(.not.READ3(M3_FLNAME(STEP_FILE(ISTEP)), tempvar, 1, cdate, ctime, tvalues(h,:,:)) ) then\n Write(*,'(''Cannot read temperature data for @MAXT operation'')')\n endif\n endif\n\n Call NEXTIME(cDate, cTime, 10000)\n enddo\n \nC... start loops to find maximum temperature for each cell\n Do r = 1, NROWS3D\n Do c = 1, NCOLS3D\n dayValues(c,r) = BADVAL3\n maxTemp = BADVAL3\n value = BADVAL3\n count = 0\n Do h = tzoffset(c,r)+startHr ,tzoffset(c,r)+endHr\n if( hrValues(h,c,r) .gt. BADVAL3 ) then\n count = count+1\n if( tvalues(h,c,r) .gt. maxTemp ) then\n maxTemp = tvalues(h,c,r)\n value = hrValues(h,c,r)\n endif\n endif\n endDo ! end hour loop\n if(partDay .or. count.ge.18) dayValues(c,r) = value\n endDo ! end column loop\n endDo ! end row loop\n\n return\n end Subroutine maxTValues\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc\nc Routine to find the value in 8-hour-max ozone period\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n Subroutine maxO3Values(hrValues, dayValues, tzoffset, curDate)\n\n USE M3UTILIO\n USE ENV_VARS\n USE M3FILES\n USE TIME_STEP\n\n IMPLICIT NONE\n\nC... arguments\n Real hrValues(-36:66, NCOLS3D, NROWS3D)\n Real dayValues(NCOLS3D, NROWS3D)\n Integer tzoffset(NCOLS3D, NROWS3D)\n Integer curDate\n INTEGER ISTEP\n\nC... local variables\n Logical, save :: first=.true. \n Integer, save :: first_date\n Integer, save :: first_time\n Integer, save :: last_date\n Integer, save :: last_time\n\nc Character*(16) ozonevar\n Real, save,allocatable :: O3values(:,:,:)\n Integer runlen\n Integer c, r, h, i\n Integer cdate, ctime\n Integer count, nperiods\n Real o3sum, sum, maxValue, sumValue, avg\n INTEGER STATUS ! Status code\nc INTEGER HOURS_8HRMAX ! number of 8hr values to compute 8hr max \n CHARACTER*16 ENV_DESC ! message string\n CHARACTER*16 PNAME ! Program Name\n CHARACTER*80 MSG ! Error message\n DATA PNAME / 'HR2DAY' /\n\n\n\nC... first pass\n if( first ) then\n first = .false.\n Allocate ( O3values(-36:66, NCOLS3D, NROWS3D) )\nC... store first and last day/time to process from module_tstep (across all input files) \n first_date = STEP_DATE(1)\n first_time = STEP_TIME(1) \n last_date = STEP_DATE(NSTEPS)\n last_time = STEP_TIME(NSTEPS) \n\nc... adjust first and last date based on START_DATE and END_DATE envvars\n\n first_date = MAX( first_date, START_DATE)\n last_date = MIN( last_date, END_DATE)\n endif ! first pass\n \nC... read ozone values and fill tvalues array\n cdate = curDate\n ctime = -36 * 10000\n call NEXTIME(cDate,cTime,0) !reformat to make sure hours are between 0 and 23\n O3values = BADVAL3\n do h=-36,66\n if( (SECSDIFF(STEP_DATE(1), STEP_TIME(1), cdate, ctime) .ge. 0)\n & .and. (SECSDIFF(cdate, ctime, STEP_DATE(NSTEPS), STEP_TIME(NSTEPS)) .ge. 0) ) then\n\n ISTEP = FIND2( CDATE, CTIME, NSTEPS, STEP_DATE, STEP_TIME)\n\n if(.not.READ3(M3_FLNAME(STEP_FILE(ISTEP)), ozonevar, 1, cdate, ctime, O3values(h,:,:)) ) then\n Write(*,'(''Cannot read Ozone data for @8HRMAXO3 operation'')')\n endif\n\n endif\n Call NEXTIME(cDate, cTime, 10000)\n enddo\n \nC... start loops to find max 8-hr and save sum of hrValues\n Do r = 1, NROWS3D\n Do c = 1, NCOLS3D\n dayValues(c,r) = BADVAL3\n maxValue = BADVAL3\n sumValue = BADVAL3\n nperiods = 0\n \n if ( HOURS_8HRMAX .eq. 24 ) then ! use 24 8hr values\n \n Do h = tzoffset(c,r),tzoffset(c,r)+23\n o3sum = 0\n sum = 0\n count = 0\n Do i = 0,7\n if(( O3values(h+i,c,r) .gt. BADVAL3 ) .and.\n * ( hrValues(h+i,c,r) .gt. BADVAL3 )) then\n o3sum = o3sum + O3values(h+i,c,r)\n sum = sum + hrValues(h+i,c,r)\n count = count + 1\n endif\n enddo ! end 8 hour loop\n if(count.ge.6) then\n nperiods = nperiods + 1\n avg = o3sum / count\n if( avg.gt.maxValue) then\n maxvalue = avg \n sumvalue = sum/count\n endif\n endif\n endDo ! end hour loop\n if(partDay .or. nperiods.ge.18) dayValues(c,r) = sumValue !require 18/24\n \n else !use only 17 8hr values, from 7 am to 11 pm LT\n\n Do h = tzoffset(c,r)+7,tzoffset(c,r)+23\n o3sum = 0\n sum = 0\n count = 0\n Do i = 0,7\n if(( O3values(h+i,c,r) .gt. BADVAL3 ) .and.\n * ( hrValues(h+i,c,r) .gt. BADVAL3 )) then\n o3sum = o3sum + O3values(h+i,c,r)\n sum = sum + hrValues(h+i,c,r)\n count = count + 1\n endif\n enddo ! end 8 hour loop\n if(count.ge.6) then\n nperiods = nperiods + 1\n avg = o3sum / count\n if( avg.gt.maxValue) then\n maxvalue = avg \n sumvalue = sum/count\n endif\n endif\n endDo ! end hour loop\n if(partDay .or. nperiods.ge.13) dayValues(c,r) = sumValue !require 13/17\n\n endif \n \n endDo ! end column loop\n endDo ! end row loop\n\n return\n end Subroutine maxO3Values\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc\nc Routine to find the maximum hourly change\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n Subroutine maxDifValues(hrValues, dayValues, tzoffset)\n\n USE M3UTILIO\n USE ENV_VARS\n\n IMPLICIT NONE\n\nC... arguments\n Real hrValues(-36:66, NCOLS3D, NROWS3D)\n Real dayValues(NCOLS3D, NROWS3D)\n Integer tzoffset(NCOLS3D, NROWS3D)\n\nC... local variables\n Integer c, r, h, count\n Real diff \n Real maxValue\n\nC... start loops to find daily sum\n Do r = 1, NROWS3D\n Do c = 1, NCOLS3D\n count = 0\n dayValues(c,r) = BADVAL3\n maxValue = BADVAL3\n Do h = tzoffset(c,r)+startHr ,tzoffset(c,r)+endHr-1\n if( hrValues(h,c,r).gt.BADVAL3 .and. hrValues(h+1,c,r).gt.BADVAL3) then\n count = count + 1\n diff = ABS( hrValues(h+1,c,r) - hrValues(h,c,r) )\n if( diff .gt. maxValue ) then\n maxValue = diff\n endif\n endif\n endDo ! end hour loop\n if(partDay .or. count.ge.18) dayValues(c,r) = maxValue\n endDo ! end column loop\n endDo ! end row loop\n\n return\n end Subroutine maxDifValues\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc\nc Routine to find the 8-hour maximum value at each cell\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n Subroutine max8hr(hrValues, dayValues, tzoffset)\n\n USE M3UTILIO\n USE ENV_VARS\n \n IMPLICIT NONE\n\nC... arguments\n Real hrValues(-36:66, NCOLS3D, NROWS3D)\n Real dayValues(NCOLS3D, NROWS3D)\n Integer tzoffset(NCOLS3D, NROWS3D)\n\nC... local variables\n Integer c, r, h, i, count, nperiods\n Real sum, maxValue, avg\n INTEGER STATUS ! Status code\nc INTEGER HOURS_8HRMAX ! number of 8hr values to compute 8hr max \n CHARACTER*16 ENV_DESC ! message string\n CHARACTER*16 PNAME ! Program Name\n CHARACTER*80 MSG ! Error message\n DATA PNAME / 'HR2DAY' /\n\nC... Get the HOURS_8HRMAX environment variable (default is 24) \nc ENV_DESC = 'Number of 8hr values to use when computing DM8HR' \nc HOURS_8HRMAX= ENVINT( 'HOURS_8HRMAX', ENV_DESC, 24, STATUS) \n\nc if ( ( HOURS_8HRMAX .NE. 24) .AND. ( HOURS_8HRMAX .NE. 17) ) THEN \n\nc MSG = '**Error** Invalid value for HOURS_8HRMAX, use 24 or 17'\nc CALL M3ERR( PNAME, 0, 0, MSG, .TRUE. ) \nc Stop\nc Endif\n\nC... start loops to find max 8-hr \n Do r = 1, NROWS3D\n Do c = 1, NCOLS3D\n dayValues(c,r) = BADVAL3\n maxValue = BADVAL3\n nperiods = 0\n \n if ( HOURS_8HRMAX .eq. 24 ) then ! use 24 8hr values\n \n Do h = tzoffset(c,r),tzoffset(c,r)+23\n sum = 0\n count = 0\n Do i = 0,7\n if( hrValues(h+i,c,r) .gt. BADVAL3 ) then\n sum = sum + hrValues(h+i,c,r)\n count = count + 1\n endif\n enddo ! end 8 hour loop\n if(count.ge.6) then\n nperiods = nperiods + 1\n avg = sum/count\n if( avg .gt. maxValue ) maxValue = avg\n endif\n endDo ! end hour loop\n if(partDay .or. nperiods.ge.18) dayValues(c,r) = maxValue !require 18/24\n \n else !use only 17 8hr values, from 7 am to 11 pm LT\n\n Do h = tzoffset(c,r)+7,tzoffset(c,r)+23\n sum = 0\n count = 0\n Do i = 0,7\n if( hrValues(h+i,c,r) .gt. BADVAL3 ) then\n sum = sum + hrValues(h+i,c,r)\n count = count + 1\n endif\n enddo ! end 8 hour loop\n if(count.ge.6) then\n nperiods = nperiods + 1\n avg = sum/count\n if( avg .gt. maxValue ) maxValue = avg\n endif\n endDo ! end hour loop\n if(partDay .or. nperiods.ge.13) dayValues(c,r) = maxValue !require 13/17\n \n endif\n \n endDo ! end column loop\n endDo ! end row loop\n\n return\n end Subroutine max8hr\n \n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc\nc Routine to find the starting hour of the 8-hour maximum period\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n Subroutine max8hrHour(hrValues, dayValues, tzoffset)\n\n USE M3UTILIO\n USE ENV_VARS\n\n IMPLICIT NONE\n\nC... arguments\n Real hrValues(-36:66, NCOLS3D, NROWS3D)\n Real dayValues(NCOLS3D, NROWS3D)\n Integer tzoffset(NCOLS3D, NROWS3D)\n\nC... local variables\n Integer c, r, h, i, count, nperiods\n Real sum, maxValue, avg\n Integer maxHour\n INTEGER STATUS ! Status code\nc INTEGER HOURS_8HRMAX ! number of 8hr values to compute 8hr max \n CHARACTER*16 ENV_DESC ! message string\n CHARACTER*16 PNAME ! Program Name\n CHARACTER*80 MSG ! Error message\n DATA PNAME / 'HR2DAY' /\n\nC... Get the HOURS_8HRMAX environment variable (default is 24) \nc ENV_DESC = 'Number of 8hr values to use when computing DM8HR' \nc HOURS_8HRMAX= ENVINT( 'HOURS_8HRMAX', ENV_DESC, 24, STATUS) \n\nc if ( ( HOURS_8HRMAX .NE. 24) .AND. ( HOURS_8HRMAX .NE. 17) ) THEN \n\nc MSG = '**Error** Invalid value for HOURS_8HRMAX, use 24 or 17'\nc CALL M3ERR( PNAME, 0, 0, MSG, .TRUE. ) \nc Stop\nc Endif\n\nC... start loops to find max 8-hr \n Do r = 1, NROWS3D\n Do c = 1, NCOLS3D\n dayValues(c,r) = BADVAL3\n maxValue = BADVAL3\n maxHour = 0\n nperiods = 0\n\n if ( HOURS_8HRMAX .eq. 24 ) then ! use 24 8hr values\n\n Do h = tzoffset(c,r),tzoffset(c,r)+23\n sum = 0\n count = 0\n Do i = 0,7\n if( hrValues(h+i,c,r) .gt. BADVAL3 ) then\n sum = sum + hrValues(h+i,c,r)\n count = count + 1\n endif\n enddo ! end 8 hour loop\n if(count.ge.6) then\n nperiods = nperiods + 1\n avg = sum/count\n if( avg .gt. maxValue ) then\n maxValue = avg\n maxHour = h - tzoffset(c,r) !! maxHour is in local time (0-23)\n endif\n endif\n endDo ! end hour loop\n\n if(partDay .or. nperiods.ge.18) dayValues(c,r) = 1.0 * maxHour !require 18/24\n\n else !use only 17 8hr values, from 7 am to 11 pm LT\n \n Do h = tzoffset(c,r)+7,tzoffset(c,r)+23\n sum = 0\n count = 0\n Do i = 0,7\n if( hrValues(h+i,c,r) .gt. BADVAL3 ) then\n sum = sum + hrValues(h+i,c,r)\n count = count + 1\n endif\n enddo ! end 8 hour loop\n if(count.ge.6) then\n nperiods = nperiods + 1\n avg = sum/count\n if( avg .gt. maxValue ) then\n maxValue = avg\n maxHour = h - tzoffset(c,r) !! maxHour is in local time (0-23)\n endif\n endif\n endDo ! end hour loop\n\n if(partDay .or. nperiods.ge.13) dayValues(c,r) = 1.0 * maxHour !require 13/17\n \n endif\n\n endDo ! end column loop\n endDo ! end row loop\n\n return\n end Subroutine max8hrHour\n\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc\nc Routine to compute to daily W126 values, sums the weighted concentrations\nc in ppm between 8am & 8pm at each cell\nc These daily W126 index values can then be used in subsequent calculations\nc for the secondary ozone standard by summing the daily index values over \nc consecutive 3 month periods and determining the maximum of these 3 months\nc sums.\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n Subroutine w126_daily(hrValues, dayValues, tzoffset, units)\n\n USE M3UTILIO\n USE ENV_VARS\n\n IMPLICIT NONE\n\nC... arguments\n Real hrValues(-36:66, NCOLS3D, NROWS3D)\n Real dayValues(NCOLS3D, NROWS3D)\n Integer tzoffset(NCOLS3D, NROWS3D)\n Character*(*) units\n\nC... local variables\n Integer c, r, h, count\n Real ozone\n Real sum\n Real factor\n\nC... set factor value to covert to ppm\n factor = 1.0\n if( INDEX(units,'ppb') .gt.0 ) factor = 0.001 ! to convert from ppb to ppm\n\nC... start loops to find daily sum\n Do r = 1, NROWS3D\n Do c = 1, NCOLS3D\n sum = 0.0\n count = 0\n Do h = tzoffset(c,r)+8,tzoffset(c,r)+19 ! go from 8am to 7pm local time\n if( hrValues(h,c,r) .ge. 0.0 ) then\n count = count+1\n ozone = factor * hrValues(h,c,r)\n sum = sum + ozone / (1.0 + 4403.0 * EXP( -126.0 * ozone ))\n endif \n endDo ! end hour loop \n\n if( partDay .or. count.ge.9 ) then\n dayValues(c,r) = sum / factor\n endif\n endDo ! end column loop\n endDo ! end row loop\n \n return \n end Subroutine w126_daily \n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc\nc Routine to sum hourly values >= 0.06ppm between 8am & 8pm at each cell\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n Subroutine sum06(hrValues, dayValues, tzoffset, units)\n\n USE M3UTILIO\n USE ENV_VARS\n\n IMPLICIT NONE\n\nC... arguments\n Real hrValues(-36:66, NCOLS3D, NROWS3D)\n Real dayValues(NCOLS3D, NROWS3D)\n Integer tzoffset(NCOLS3D, NROWS3D)\n Character*(*) units\n\nC... local variables\n Integer c, r, h, count\n Real sum\n Real minValue\n\nC... set minimum cutoff value\n minValue = 0.06 ! default is 0.06 ppm\n if( INDEX(units,'ppb') .gt.0 ) minValue = 1000.0 * minValue\n \nC... start loops to find daily sum\n Do r = 1, NROWS3D\n Do c = 1, NCOLS3D\n sum = 0.0\n count = 0\n Do h = tzoffset(c,r)+8,tzoffset(c,r)+20\n if( hrValues(h,c,r) .ge. minValue ) then\n count = count+1\n sum = sum + hrValues(h,c,r)\n endif\n endDo ! end hour loop\n dayValues(c,r) = sum\n endDo ! end column loop\n endDo ! end row loop\n\n return \n end Subroutine sum06\n\n \n" }, { "path": "POST/hr2day/src/module_envvar.F", "content": "\n!-----------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies!\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!-----------------------------------------------------------------------!\n\n\nC*************************************************************************\nC\nC MODULE: defines and gets environment variables\nC \nC*************************************************************************\n MODULE ENV_VARS\n\n INTEGER START_DATE ! starting date of period to process\n INTEGER END_DATE ! ending date of period to process\n INTEGER STARTHR ! starting hour of the daily time period to process\n INTEGER ENDHR ! ending hour of the daily time period to process\n INTEGER HOURS_8HRMAX ! Number of hours to use for 8HR Max\n\n LOGICAL PARTDAY ! Compute partial day for last day\n LOGICAL USELOCAL ! Use local time\n LOGICAL USEDST ! Daylight Savings flag\n\n CHARACTER*(16) OZONEVAR ! Ozone variable\n CHARACTER*(16) TEMPVAR ! Temperature variable\n\n CONTAINS\n\n SUBROUTINE GET_ENVS\nC*************************************************************************\nC\nC FUNCTION: To get environment variables\nC \nC \nC*************************************************************************\n USE M3UTILIO\n USE TIME_STEP\n\n IMPLICIT NONE \n\nC..SAVED LOCAL VARIABLES: None\n\nC..SCRATCH LOCAL VARIABLES:\n CHARACTER*16 PNAME ! Program Name\n\n CHARACTER*80 MSG ! Error message\n INTEGER STATUS ! Status code\n\n INTEGER I\n\nC**********************************************************************\n DATA PNAME / 'GET_ENVS' /\n \n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get the starting and ending dates and times\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\nC...get starting date and time\n start_date = ENVINT('START_DATE','Start date for output period', STEP_DATE(1), STATUS)\n\nC...get ending date and time\n end_date = ENVINT('END_DATE','End date for output period', STEP_DATE(NSTEPS), STATUS)\n\n\n if( start_date .gt. end_date ) then\n MSG = '**Error** Invalid time window defined, START_DATE > END_DATE'\n CALL M3ERR( PNAME, 0, 0, MSG, .TRUE. ) \n Stop\n Endif\n\nC... get starting and ending hours for time window\n startHr = ENVINT('START_HOUR',\"Starting Hour of daily time window\", 0, status)\n endHr = ENVINT('END_HOUR',\"Ending Hour of daily time window\", 23, status)\n\n if( startHr .gt. endHr ) then\n MSG = '**Error** Invalid time window defined, START_HOUR > END_HOUR'\n CALL M3ERR( PNAME, 0, 0, MSG, .TRUE. ) \n Stop\n Endif\n\n\nC... get compute partial day switch\n partDay = ENVYN('PARTIAL_DAY',\"Compute partial day values\", .FALSE., status)\n\nC... get use local time switch\n useLocal = ENVYN('USELOCAL',\"Use local time\", .FALSE., status)\n\nC... get use daylight savings time switch id uselocal\n useDST = .false.\n if( useLocal ) then\n useDST = ENVYN('USEDST',\"Use Daylight Savings time\", .FALSE., status)\n endif\n\nC... Get the HOURS_8HRMAX environment variable (default is 24) \n HOURS_8HRMAX = ENVINT( 'HOURS_8HRMAX', \n & 'Number of 8hr values to use when computing DM8HR', 24, STATUS) \n\n if ( ( HOURS_8HRMAX .NE. 24) .AND. ( HOURS_8HRMAX .NE. 17) ) THEN \n\n MSG = '**Error** Invalid value for HOURS_8HRMAX, use 24 or 17'\n CALL M3ERR( PNAME, 0, 0, MSG, .TRUE. ) \n Stop\n Endif\n\n\nC... get temperature variable\n\n Call ENVSTR('TEMPERATURE','Temperature species used in @MAXT operation',\n & 'TEMP2', tempvar, status) \n\nC... get ozone variable\n\n Call ENVSTR('OZONE','Ozone species used in @8HRMAXO3 operation',\n & 'O3', ozonevar, status) \n\n\n RETURN\n\n END SUBROUTINE GET_ENVS\n\n END MODULE ENV_VARS\n" }, { "path": "POST/hr2day/src/module_evaluator.F", "content": "!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/work/rep/TOOLS/src/combine/module_evaluator.F,v 1.1.1.1 2005/07/27 12:55:20 sjr Exp $\n\nC***********************************************************************\nC\nC MODULE: evaluates species expressions\nC \nC***********************************************************************\n MODULE evaluator\n\n Real, Private, Allocatable :: parseBuffer(:,:)\n\n Integer, Private :: idate\n Integer, Private :: itime \n Integer, Private :: ilayer\n Integer, Private :: isize \n\n CONTAINS\n\n\nC subroutine to evaluate species expression at date\nC returns buffer array values\n Subroutine evaluate(expression,jdate,jtime,jlayer,jsize,buffer)\n\n IMPLICIT NONE\n\n ! arguments\n Character*(*) expression\n Integer jdate, jtime\n Integer jlayer\n Integer jsize\n Real buffer(jsize)\n\n ! local variables\n Character*(512) expresscp\n Character*(512) express\n Integer nparen\n Integer depth, maxdepth\n Integer i, n, pos1, pos2\n Character*(5) nstring\n Logical KSWIT\n\n ! set module variables\n idate = jdate\n itime = jtime\n ilayer = jlayer\n isize = jsize\n \n ! find number of parentheses and depth\n nparen = 0 \n depth = 0\n maxdepth = 0\n Do i=1,len_trim(expression)\n if( expression(i:i).eq.'(' ) then\n nparen = nparen + 1\n depth = depth + 1\n endif\n\n if( expression(i:i).eq.')' ) then\n depth = depth - 1\n endif\n \n if( depth.gt.maxdepth ) maxdepth = depth\n enddo\n\n ! allocate memory for parseBuffer if needed\n if( nparen.gt.0 ) then\n if( Allocated(parseBuffer) .and.\n & SIZE(parseBuffer,DIM=2).lt.nparen ) then\n deAllocate(parseBuffer)\n endif\n\n if( .NOT.Allocated(parseBuffer) ) then\n Allocate( parseBuffer(isize,nparen) )\n endif\n\n parseBuffer = 0.0\n endif\n\n ! make copy of expression to modify\n expresscp = expression\n\n depth = maxDepth \n Do n=1,nparen\n\n ! build buffer number as string\n write(nstring, '(i5)') n\n Call leftTrim(nstring)\n\n ! try to find parentheses at depth\n Call findDepth( expresscp, depth, pos1, pos2 )\n \n if( pos1.eq.0 ) then\n depth = depth - 1\n Call findDepth( expresscp, depth, pos1, pos2 )\n endif\n\n ! if parentheses found, evaluate sub expression\n if( pos1.gt.0 ) then\n\n ! extract expression within parentheses and\n ! evaluate to parsebuffer(1:isize,n)\n express = expresscp(pos1+1:pos2-1)\n call eval1(express, parsebuffer(1:isize,n) )\n\n ! replace expression within parentheses with \"buffer[n]\"\n express = ''\n if( pos1.gt.1 ) express = expresscp(1:pos1-1)\n express = TRIM(express) // 'buffer[' // TRIM(nstring) //\n & ']' // TRIM(expresscp(pos2+1:))\n expresscp = express \n endif \n enddo\n\n call eval1(expresscp, buffer)\n \n end Subroutine evaluate\n\n\nC subroutine to find location of parentheses depth\n Subroutine findDepth(expression, depth, pos1, pos2)\n\n IMPLICIT NONE\n\n Character*(*) expression\n Integer depth, pos1, pos2\n\n Integer i, dep\n\n pos1 = 0\n pos2 = 0\n dep = 0\n\n ! try to find parentheses at depth\n Do i = 1, len_trim(expression) \n if( expression(i:i).eq.'(' ) then\n dep = dep+1\n if(dep.eq.depth) pos1 = i\n endif\n\n if( expression(i:i).eq.')' ) then\n if(dep.eq.depth) then\n pos2 = i\n return\n endif\n dep = dep-1\n endif \n enddo\n\n return\n end Subroutine findDepth\n\n\nC subroutine to return buffer array value\n Subroutine getBuffer(field, buffer)\n IMPLICIT NONE\n\n Character*(*) field\n Real buffer(isize)\n Integer pos1, pos2, nbuf\n Character*(10) string\n Character*(10) func\n Logical KSWIT\n Logical SHUT3\n\n Call leftTrim(field)\n\n ! parse field to find buffer number\n pos1 = index(field, '[') \n pos2 = index(field, ']') \n\n string = field(pos1+1:pos2-1)\n read(string,'(i10)') nbuf \n\n buffer = parsebuffer(1:isize,nbuf) \n\n ! check for function\n pos1 = index(field, 'buffer[') \n Call UCASE(field)\n\n if( pos1.gt.1 ) then \n func = field(1:pos1-1)\n\n if( func.eq.'LOG' ) then\n buffer = LOG(buffer)\n return\n endif\n if( func.eq.'EXP' ) then\n buffer = EXP(buffer)\n return\n endif\n if( func.eq.'SQRT' ) then\n buffer = SQRT(buffer)\n return\n endif\n if( func.eq.'ABS' ) then\n buffer = ABS(buffer)\n return\n endif\n\n write(*,'(/''**ERROR** Invalid function name: '',a)') trim(func)\n KSWIT = SHUT3()\n stop\n endif\n\n return\n end Subroutine getBuffer\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC subroutine to evaluate species expression\nC parses conditional and three argument function statments if found \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n Subroutine eval1(expression, buffer)\n\n IMPLICIT NONE\n\n ! arguments\n Character*(*) expression\n Real buffer(isize)\n\n ! functions\n Integer getFldCount\n \n ! local variables\n Logical, Allocatable :: flags(:)\n Real, Allocatable :: value1(:)\n Real, Allocatable :: value2(:)\n Real, Allocatable :: value3(:)\n Character*(512) field\n Character*(16) func\n Character operator\n Integer nmajor\n Integer i\n Logical badopr\n\n\n ! parse major fields (?:)\n nmajor = getFldCount(expression, '?:')\n\n ! if function or conditional statement \n if( nmajor.ge.3 ) then \n Allocate( flags(isize), value1(isize), value2(isize), value3(isize) )\n\n ! if conditional statement\n if( nmajor.eq.3 .and. index(expression,'?') .gt. 0 ) then\n badopr = .false. \n call getFld( expression, '?:', 1, operator, field ) \n if(operator.ne.'?') badopr = .true.\n call eval1b( field, flags)\n\n call getFld( expression, '?:', 2, operator, field ) \n if(operator.ne.'?') badopr = .true.\n call eval2( field, value1)\n\n call getFld( expression, '?:', 3, operator, field ) \n if(operator.ne.':') badopr = .true.\n call eval2( field, value2)\n\n if( badopr ) then\n Write(*,'(/''**Error** Syntax error encountered at: '',a)') trim(expression)\n stop\n endif\n\n ! set buffer values by logical flags \n do i=1,isize\n if( flags(i) ) then\n buffer(i) = value1(i)\n else\n buffer(i) = value2(i)\n endif \n enddo\n endif\n\n ! if function statement ( FunctionName:arg1:arg2:arg3 ) \n if( nmajor.eq.4 .and. index(expression,'?') .le. 0 ) then\n badopr = .false.\n call getFld( expression, ':', 1, operator, func ) \n call UCASE(func)\n if( func.ne.'CALCRH' .and. func.ne.'CALCHI' ) badopr = .true.\n\n call getFld( expression, ':', 2, operator, field ) \n call eval2( field, value1)\n\n call getFld( expression, ':', 3, operator, field ) \n call eval2( field, value2)\n\n call getFld( expression, ':', 4, operator, field ) \n call eval2( field, value3)\n\n if( badopr ) then\n Write(*,'(/''**Error** Syntax error encountered at: '',a)') trim(expression)\n stop\n endif\n\n ! set buffer values by logical flags \n do i=1,isize\n if( func.eq.'CALCRH' ) buffer(i) = CALCRH( value1(i), value2(i), value3(i) )\n if( func.eq.'CALCHI' ) buffer(i) = CALCHI( value1(i), value2(i), value3(i) )\n enddo\n\n endif\n\n Deallocate (flags, value1, value2, value3)\n return\n endif\n\n ! if no conditional\n if( nmajor.eq.1 ) then\n call eval2( trim(expression), buffer )\n return\n endif\n\n ! syntax error\n Write(*,'(/''**Error** Syntax error encountered at: '',a)') trim(expression)\n stop \n end Subroutine eval1\n\n\nC subroutine to evaluate condition expression (called from eval1) \n Subroutine eval1b(expression, flags)\n\n IMPLICIT NONE\n\n ! arguments\n Character*(*) expression\n Logical flags(isize)\n\n ! functions\n Integer getFldCount\n \n ! local variables\n Real, Allocatable :: value1(:)\n Real, Allocatable :: value2(:)\n Character*(512) field\n Character operator\n Integer nflds\n Integer i\n\n\n ! verify that expression contains a parse major fields (<=>)\n nflds = getFldCount(expression, '<=>')\n if( nflds.eq.0 ) then\n Write(*,'(/''**Error** Syntax error encountered at: '',a)') trim(expression)\n stop\n endif\n\n ! parse conditional expression\n Allocate( value1(isize), value2(isize) )\n\n ! determine conditional operator is <=\n if( index(expression,'<=').gt.0 ) then\n call getFld( expression, '<=', 1, operator, field ) \n call eval2( field, value1)\n call getFld( expression, '<=', 3, operator, field ) \n call eval2( field, value2)\n flags = ( value1 .le. value2 )\n Deallocate (value1, value2)\n return\n endif\n\n ! determine conditional operator is >=\n if( index(expression,'>=').gt.0 ) then\n call getFld( expression, '>=', 1, operator, field ) \n call eval2( field, value1)\n call getFld( expression, '>=', 3, operator, field ) \n call eval2( field, value2)\n flags = ( value1 .ge. value2 )\n Deallocate (value1, value2)\n return\n endif \n\n ! determine conditional operator is >\n if( index(expression,'>').gt.0 ) then\n call getFld( expression, '>', 1, operator, field ) \n call eval2( field, value1)\n call getFld( expression, '>', 2, operator, field ) \n call eval2( field, value2)\n flags = ( value1 .gt. value2 )\n Deallocate (value1, value2)\n return\n endif \n\n ! determine conditional operator is <\n if( index(expression,'<').gt.0 ) then\n call getFld( expression, '<', 1, operator, field ) \n call eval2( field, value1)\n call getFld( expression, '<', 2, operator, field ) \n call eval2( field, value2)\n flags = ( value1 .lt. value2 )\n Deallocate (value1, value2)\n return\n endif \n\n ! determine conditional operator is =\n if( index(expression,'=').gt.0 ) then\n call getFld( expression, '=', 1, operator, field ) \n call eval2( field, value1)\n call getFld( expression, '=', 2, operator, field ) \n call eval2( field, value2)\n flags = ( value1 .eq. value2 )\n Deallocate (value1, value2)\n return\n endif \n\n ! syntax error\n Write(*,'(/''**Error** Syntax error encountered at: '',a)') trim(expression)\n stop\n \n end Subroutine eval1b\n\n\n\nC subroutine to evaluate species expression (parses major fields (+-))\n Subroutine eval2(expression, buffer)\n\n USE M3UTILIO\n\n IMPLICIT NONE\n\n ! arguments\n Character*(*) expression\n Real buffer(isize)\n\n ! functions\n Integer getFldCount\n\n ! local variables\n Real, Allocatable :: value(:)\n Character*(512) field\n Character operator\n Integer nmajor\n Integer n\n\n buffer = 0.0\n Allocate ( value(isize) )\n\n ! parse major fields (+-)\n nmajor = getFldCount(expression, '+-')\n\n ! loop thru and parse each major field and evaluate\n do n=1,nmajor\n\n call getFld( expression, '+-', n, operator, field ) \n !write(*,'(''major field:'',a)') TRIM(field)\n call eval3( field, value)\n\n if( value(1).eq.AMISS3 ) then\n buffer = AMISS3\n EXIT \n endif\n if( operator.eq.'+' ) then\n buffer = buffer + value\n else\n buffer = buffer - value\n endif\n\n enddo\n\n Deallocate (value)\n return\n end Subroutine eval2\n\n\nC routine to compute a field of the expression (parses minor fields (*/))\n Subroutine eval3(expression, value)\n \n USE M3UTILIO\n \n IMPLICIT NONE\n\n ! arguments\n CHARACTER*(*) expression\n Real value(isize)\n\n ! local variables\n Real, allocatable :: specValue(:)\n Integer getFldCount\n Character*(512) field\n Character operator \n Integer n, nflds, status\n real constant\n Logical KSWIT\n\n Allocate ( specValue(isize) )\n nflds = getFldCount(trim(expression), '*/')\n value = 1.0\n \n do n=1,nflds\n call getFld( trim(expression), '*/', n, operator, field ) \n\n ! check for buffer array\n if( index(field,'buffer[') .gt.0 ) then\n Call getBuffer(field, specValue)\n if( operator.eq.'*' ) then\n value = value * specValue\n else\n value = value / specValue\n endif \n cycle\n endif\n \n ! check for species variable\n if( INDEX1(TRIM(field), NVARS3D, VNAME3D) .gt.0 ) then\n Call readSpecies(field, specValue)\n if(specValue(1).eq.AMISS3) then\n value = specValue\n EXIT \n endif\n if( operator.eq.'*' ) then\n value = value * specValue\n else\n value = value / specValue\n endif\n cycle\n endif\n\n !try to read field as number\n read(field,'(f20.0)',iostat=status) constant\n if( status.eq.0 ) then\n if( operator.eq.'*' ) then\n value = value * constant\n else\n value = value / constant\n endif\n else\n Write(*,'(''**Error** Invalid field encountered:'',a)') field\n KSWIT = SHUT3()\n stop \n endif \n\n enddo\n\n Deallocate (specValue)\n return\n end Subroutine eval3\n\n\nC Routine to read species value array for given date and time\n Subroutine readSpecies( field, specValue)\n\n USE M3UTILIO\n USE M3FILES\n USE TIME_STEP\n\n IMPLICIT NONE\n\n ! arguments\n Character*(*) field\n Real specValue(isize)\n\n ! local variables\n Logical KSWIT\n INTEGER ISTEP\n \n ISTEP = FIND2( IDATE, ITIME, NSTEPS, STEP_DATE, STEP_TIME)\n\n KSWIT = READ3(M3_FLNAME(STEP_FILE(ISTEP)), field, ilayer, idate, itime, specValue)\n\n !! check read status\n if( .NOT.KSWIT ) then\n Write(*,'(/''**ERROR** Cannot read variable '',a,'' from input file.'')')\n & trim(field)\n specValue = AMISS3\n !KSWIT = SHUT3()\n !stop \n endif \n\n return\n end Subroutine readSpecies \n\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc\nc function to compute relative humidity\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n Real Function CALCRH(ta, psa, qva) result(rh)\n Implicit None\n\n ! arguments\n Real ta ! surface temperature (K)\n Real psa ! surface pressure (pascal)\n Real qva ! water vapor mixing ratio (kg/kg)\n\n ! local variables\n Real es, w\n\n ! compute es\n if( ta .le. 273.15 ) es = 611.29 * EXP(22.514 - (6150.0 / ta))\n if( ta .gt. 273.15 ) es = 611.29 * EXP(17.67 * (ta-273.15) / (ta-29.65))\n\n ! compute rh\n w = 0.622 * es / (psa - es)\n rh = 100.0 * qva / w\n\n if( rh.gt.100.0 ) rh = 100.0\n\n return\n end Function CALCRH\n\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc\nc function to compute heat index \nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n Real Function CALCHI(ta, psa, qva) result(hi)\n Implicit None\n\n ! arguments\n Real ta ! surface temperature (K)\n Real psa ! surface pressure (pascal)\n Real qva ! water vapor mixing ratio (kg/kg)\n\n ! local variables\n Real rh, tempF\n\n ! compute temperature to F\n tempF = 1.8*(ta-273.15) + 32.0\n\n ! compute RH\n rh = CALCRH(ta, psa, qva)\n\n ! check lower rh limit\n if( rh .lt. 40.0 ) then\n hi = tempF\n return\n endif \n\n ! check lower tempF limit\n if( tempF .lt. 80.0 ) then\n hi = tempF\n return\n endif \n\n ! compute HI\n hi = -42.379 + 2.04901523*tempF + 10.14333127*rh\n hi = hi - 0.22475541*tempF*rh - 6.83783E-3 * tempF**2\n hi = hi - 5.481717E-2 * rh**2 + 1.22874E-3 * tempF**2 * rh\n hi = hi + 8.5282E-4 * tempF * rh**2 - 1.99E-6 * tempF**2 * rh**2\n\n return\n end Function CALCHI\n\n \n END MODULE evaluator\n" }, { "path": "POST/hr2day/src/module_file.F", "content": "\n!-----------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies!\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!-----------------------------------------------------------------------!\n\n! RCS file, release, date & time of last delta, author, state, [and locker]\n! $Header: /home/sjr/cvs2git/TOOLS/src/sitecmp/module_file.F,v 1.4 2011/10/21 14:41:32 sjr Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC*************************************************************************\nC\nC MODULE: sets up file data\nC \nC*************************************************************************\n MODULE M3FILES\n\n USE M3UTILIO\n\n INTEGER LOGUNIT ! Logdevice\n\n INTEGER N_M3FILES ! No. of input Models-3 files\n\n INTEGER, PARAMETER :: MXM3FLS = MXFILE3 - 1 ! Max no. of input files - use IOAPI parameter \n ! MXFILE3 - 1 to also allow one output file\n\n CHARACTER*16 M3_FLNAME( MXM3FLS ) ! Names of Models-3 file\n\n CHARACTER*256 M3FILE ! first filename\n\n CONTAINS\n\n\n SUBROUTINE OPEN_M3FILES\nC*************************************************************************\nC\nC FUNCTION: To provide site data\nC \nC*************************************************************************\n\n USE M3UTILIO\n\n IMPLICIT NONE \n\n \nC..ARGUMENTS: None\n\nC..PARAMETERS: None\n\nC..EXTERNAL FUNCTIONS: None\n\nC..SAVED LOCAL VARIABLES: None\n\nC..SCRATCH LOCAL VARIABLES:\n CHARACTER*16 ENV_DFLT ! Environment variable default value\n CHARACTER*16 FL_NAME ! Input Models-3 file name\n CHARACTER*16 PNAME ! Program Name\n CHARACTER*80 ENV_DESC ! Environment variable description\n CHARACTER*80 MSG ! Error message\n CHARACTER*256 RET_VAL ! Returned value of environment variable\n\n INTEGER N ! Loop index\n INTEGER STATUS ! Status code\n\nC**********************************************************************\n DATA PNAME / 'OPEN_M3FILES' /\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Determine the number of input CTM conc files that need to be read\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n LOGUNIT = INIT3()\n\n N_M3FILES = 0\n\n WRITE( LOGUNIT, 92020 )\n\n DO N = 1, MXM3FLS\n\n IF( N .LT. 10 ) THEN\n WRITE( FL_NAME, '( ''M3_FILE_'', I1 )' ) N\n WRITE( ENV_DESC, '( ''CTM Concentration file no. '', I1 )' ) N \n ELSEIF( N .LT. 100 ) THEN\n WRITE( FL_NAME, '( ''M3_FILE_'', I2 )' ) N\n WRITE( ENV_DESC, '( ''CTM Concentration file no. '', I2 )' ) N \n ELSE\n WRITE( FL_NAME, '( ''M3_FILE_'', I3 )' ) N\n WRITE( ENV_DESC, '( ''CTM Concentration file no. '', I3 )' ) N \n ENDIF\n\n ENV_DFLT = ' ' \n CALL ENVSTR( FL_NAME, ENV_DESC, ENV_DFLT, RET_VAL, STATUS)\n\n IF( STATUS .EQ. 0 ) THEN\n If( N_M3FILES .eq. 0) M3FILE = RET_VAL\n N_M3FILES = N_M3FILES + 1\n M3_FLNAME( N_M3FILES ) = FL_NAME\n ELSE\n IF ( N_M3FILES .eq. 0) THEN !TRY CHECKING FOR 'INFILE' INSTEAD - BACKWARD COMPATIBILITY\n ENV_DFLT = ' ' \n CALL ENVSTR( 'INFILE', ENV_DESC, ENV_DFLT, RET_VAL, STATUS)\n IF( STATUS .EQ. 0 ) THEN\n N_M3FILES = N_M3FILES + 1\n M3_FLNAME( N_M3FILES ) = 'INFILE'\n ELSE\n EXIT\n ENDIF\n ELSE !NOT FIRST FILE, EXIT LOOP\n EXIT\n ENDIF \n ENDIF\n \n ENDDO\n\n IF( N_M3FILES .EQ. 0 ) THEN\n MSG = 'No CTM CONC files found'\n CALL M3ERR( PNAME, 0, 0, MSG, .TRUE. )\n ENDIF\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Open the files ccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n DO N = 1, N_M3FILES\n IF( .NOT. OPEN3( M3_FLNAME( N ), 1, PNAME) )THEN\n CALL M3EXIT( PNAME, 0 , 0,\n & 'Could not open input file ' // M3_FLNAME( N ),\n & XSTAT1 )\n ENDIF\n ENDDO \n\n RETURN\n\nC****************** FORMAT STATEMENTS ******************************\n\n92020 FORMAT( //5X, A, // )\n\n END SUBROUTINE OPEN_M3FILES\n\n \n END MODULE M3FILES\n" }, { "path": "POST/hr2day/src/module_grid.F", "content": "\n!-----------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies!\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!-----------------------------------------------------------------------!\n\n! RCS file, release, date & time of last delta, author, state, [and locker]\n! $Header: /home/sjr/cvs2git/TOOLS/src/sitecmp/module_grid.F,v 1.4 2011/10/21 14:41:32 sjr Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC*************************************************************************\nC\nC MODULE: defines a grid class\nC \nC*************************************************************************\n MODULE GRID_DATA\n\n TYPE GRID\n\n INTEGER :: NCOLS\n INTEGER :: NROWS\n INTEGER :: NLAYS\n INTEGER :: GDTYP\n\n REAL*8 :: P_ALP\n REAL*8 :: P_BET\n REAL*8 :: P_GAM\n REAL*8 :: XCENT\n REAL*8 :: YCENT\n REAL*8 :: XORIG\n REAL*8 :: YORIG\n REAL*8 :: XCELL\n REAL*8 :: YCELL\n\n END TYPE GRID\n\n TYPE ( GRID ) M3GRID\n\n CONTAINS\n\n SUBROUTINE GET_M3GRID\nC*************************************************************************\nC\nC FUNCTION: To set grid data\nC \nC*************************************************************************\n USE M3FILES\n USE M3UTILIO\n\n IMPLICIT NONE \n\nC..ARGUMENTS: None\n\nC..PARAMETERS: None\n\nC..EXTERNAL FUNCTIONS: None\n\nC..SAVED LOCAL VARIABLES: None\n\nC..SCRATCH LOCAL VARIABLES:\n CHARACTER*16 PNAME ! Program Name\n\n INTEGER N ! Loop index\n INTEGER STATUS ! Status code\n\nC**********************************************************************\n DATA PNAME / 'GET_GRID' /\n\n IF ( .NOT. DESC3( M3_FLNAME( 1 ) ) ) THEN\n CALL M3EXIT( PNAME, 0, 0,\n & 'Could not get ' // M3_FLNAME( 1 ) //\n & ' file description', XSTAT1 )\n ENDIF\n\n M3GRID % NCOLS = NCOLS3D\n M3GRID % NROWS = NROWS3D\n M3GRID % NLAYS = NLAYS3D\n M3GRID % GDTYP = GDTYP3D\n\n M3GRID % P_ALP = P_ALP3D\n M3GRID % P_BET = P_BET3D\n M3GRID % P_GAM = P_GAM3D\n M3GRID % XCENT = XCENT3D\n M3GRID % YCENT = YCENT3D\n M3GRID % XORIG = XORIG3D\n M3GRID % YORIG = YORIG3D\n M3GRID % XCELL = XCELL3D\n M3GRID % YCELL = YCELL3D\n\n RETURN\n\n END SUBROUTINE GET_M3GRID\n\n END MODULE GRID_DATA\n" }, { "path": "POST/hr2day/src/module_spec.F", "content": "!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC*************************************************************************\nC\nC MODULE: defines a set of species variables for daily output\nC\nC*************************************************************************\n MODULE SPECIES_DEF\n\n TYPE SPECIES\n CHARACTER(len=16) NAME\n CHARACTER(len=512) EXPRESSION\n CHARACTER(len=16) UNITS\n CHARACTER(len=16) DESCRIPTION\n CHARACTER(len=10) OPERATION\n END TYPE SPECIES \n \n TYPE ( SPECIES ), Allocatable :: SPECVARS(:)\n INTEGER NSPECVAR\n \n CONTAINS\n \n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC ROUTINE TO GET SPECIES DEFINITIONS FROM ENVIRONMENT VARIABLES\nC\nC VARIABLE FORMAT name, expression, operation\nC\nCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC\n SUBROUTINE LoadSpecies\n\n USE M3UTILIO\n \n IMPLICIT NONE\n\n !Extrenal functions\n Integer getNumberOfFields\n \n ! local variables\n Integer k, i\n Integer status\n Integer nflds, idx\n CHARACTER(LEN=16) VARNAME\n CHARACTER(LEN=512) RECORD\n CHARACTER(LEN=5) FIELD\n CHARACTER(LEN=10) opcode(14)\n CHARACTER(LEN=16) opname(14)\n\n data opcode/'SUM', 'AVG', 'MIN', 'MAX', 'HR@MIN', 'HR@MAX', '@MAXT',\n & 'MAXDIF', '8HRMAX', 'W126', '@8HRMAXO3', 'HR@8HRMAX',\n & 'SUM06', 'TZ'/ \n data opname/'Daily-total', 'Daily-average', 'Min-hour', 'Max-hour',\n & 'Hour of Minimum', 'Hour of Maximum',\n & 'Value@Max-Temp', 'Max-hour-change',\n & 'Max-8-hour', 'W126', 'Value@8HrMax', 'Hour@8HrMax',\n & 'Sum-06', 'TIMEZONE'/ \n\n ! allocate memory for SPECVARS array\n Allocate( SPECVARS( MXVARS3 ) )\n\n NSPECVAR = 0\n do k=1,MXVARS3\n \n ! build VARNAME\n write(field,'(i5)') k\n Call leftTrim(field)\n varname = 'SPECIES_' // TRIM(field)\n \n ! GET DEFINITION RECORD\n CALL ENVSTR( varname, 'Species Variable definition', 'Not Used', record, status)\n IF( status .ne. 0 ) EXIT\n NSPECVAR = NSPECVAR + 1\n\n nflds = getNumberOfFields( record, ',' )\n\n if( nflds.ne.4 ) then\n write(*,'(//,''**ERROR** Wrong number of fields in '',a,'' = '',a)') TRIM(varname),TRIM(record)\n write(*,'(''4 fields required for species definition'')')\n write(*,'(''Required fields are: \"name, units, from_species, operation\"'')')\n stop\n endif\n\n Call getField( record, ',', 1, SPECVARS(k)%NAME ) \n Call getField( record, ',', 2, SPECVARS(k)%UNITS ) \n Call getField( record, ',', 3, SPECVARS(k)%EXPRESSION )\n Call getField( record, ',', 4, SPECVARS(k)%OPERATION )\n Call UCASE( SPECVARS(k)%OPERATION ) \n\n ! check for duplicate name\n do i=1,NSPECVAR-1\n if( SPECVARS(k)%NAME .eq. SPECVARS(i)%NAME ) then\n Write(*,'(''**ERROR** Duplicate Species name:'',a)') TRIM(SPECVARS(k)%NAME)\n stop\n endif\n enddo\n\n ! verify operation\n idx = INDEX1(SPECVARS(k)%OPERATION, SIZE(opcode), opcode)\n if( idx.gt.0 ) then\n SPECVARS(k)%DESCRIPTION = opname(idx)\n else\n Write(*,'(''INVALID Operation code:'',a)') TRIM(SPECVARS(k)%OPERATION) \n stop \n endif\n\n enddo\n \n end Subroutine LoadSpecies\n \n END MODULE SPECIES_DEF\n\n" }, { "path": "POST/hr2day/src/module_tstep.F", "content": "\n!-----------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies!\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!-----------------------------------------------------------------------!\n\n! RCS file, release, date & time of last delta, author, state, [and locker]\n! $Header: /home/sjr/cvs2git/TOOLS/src/sitecmp/module_tstep.F,v 1.4 2011/10/21 14:41:33 sjr Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC*************************************************************************\nC\nC MODULE TIME_STEP: defines a time class\nC \nC*************************************************************************\n MODULE TIME_STEP\n\n INTEGER :: NSTEPS\n\n INTEGER , ALLOCATABLE :: STEP_DATE( : )\n INTEGER , ALLOCATABLE :: STEP_TIME( : )\n INTEGER , ALLOCATABLE :: STEP_FILE( : )\n\n INTEGER :: TIMESTEP\n\n CONTAINS\n\n SUBROUTINE GET_TSTEPS\nC*************************************************************************\nC\nC FUNCTION: Set-up time step sequence for reading files and writing\nC output records\nC \nC*************************************************************************\n USE M3FILES\n USE M3UTILIO\n\n IMPLICIT NONE \n\nC..ARGUMENTS: None\n\nC..PARAMETERS: None\n\nC..SAVED LOCAL VARIABLES: None\n\nC..SCRATCH LOCAL VARIABLES:\n CHARACTER*80 MSG ! Log message\n CHARACTER*16 PNAME ! Program Name\n\n INTEGER D0, D1 ! Differences betwwen two times, seconds\n INTEGER INDX ! Array location to insert new index\n INTEGER MXSTEPS ! max possible no. of time steps\n INTEGER N, NFL, NS, N2 ! Loop indices\n INTEGER JDATE ! Current date\n INTEGER JTIME ! Current time\n\n \nC**********************************************************************\n DATA PNAME / 'GET_TSTEPS' /\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get the maximum number of time steps\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n MXSTEPS = 0\n DO N = 1, N_M3FILES\n\n IF( .NOT. DESC3( M3_FLNAME( N ) ) ) THEN\n CALL M3EXIT( PNAME, 0, 0, 'Could not get ' //\n & M3_FLNAME( N ) // ' file description',\n & XSTAT1 )\n ENDIF\n\n MXSTEPS = MXSTEPS + MXREC3D\n ENDDO\n\n ALLOCATE( STEP_DATE( MXSTEPS ), STEP_TIME( MXSTEPS ), \n & STEP_FILE( MXSTEPS ) )\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Load all steps from first file\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF( .NOT. DESC3( M3_FLNAME( 1 ) ) ) THEN\n CALL M3EXIT( PNAME, 0, 0, 'Could not get ' // \n & M3_FLNAME( 1 ) // ' file description',\n & XSTAT1 )\n ENDIF\n\n JDATE = SDATE3D\n JTIME = STIME3D\n TIMESTEP = TSTEP3D\n\n NSTEPS = MXREC3D\n\n DO NS = 1, NSTEPS\n STEP_DATE( NS ) = JDATE\n STEP_TIME( NS ) = JTIME\n STEP_FILE( NS ) = 1\n CALL NEXTIME( JDATE, JTIME, TSTEP3D )\n ENDDO\n\n IF( N_M3FILES .EQ. 1 ) RETURN\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Insert non-duplicative time steps from remaining files in the array\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n MSG = 'Multiple CTM Concentration files being used' \n CALL M3MESG( MSG )\n MSG = 'Duplicate time steps will be eliminated' \n CALL M3MESG( MSG )\n\n DO NFL = 2, N_M3FILES\n\n IF ( .NOT. DESC3( M3_FLNAME( NFL ) ) ) THEN\n CALL M3EXIT( PNAME, 0, 0,\n & 'Could not get ' // M3_FLNAME( NFL ) //\n & ' file description', XSTAT1 )\n ENDIF\n\n JDATE = SDATE3D\n JTIME = STIME3D\n\n DO NS = 1, MXREC3D\n\n DO N = 1, NSTEPS\n\n INDX = 0\n D1 = SECSDIFF( STEP_DATE( N ), STEP_TIME( N ),\n & JDATE, JTIME )\n\n IF( N .EQ. 1 .AND. D1 .LT. 0 ) THEN\n INDX = 1\n ELSEIF( N .EQ. NSTEPS .AND. D1 .GT. 0 ) THEN\n INDX = NSTEPS + 1\n ELSEIF( N .GT. 1 ) THEN\n D0 = SECSDIFF( STEP_DATE( N - 1 ), STEP_TIME( N - 1 ),\n & JDATE, JTIME )\n IF( D0 .GT. 0 .AND. D1 .LT. 0 ) INDX = N\n ENDIF\n \n IF( INDX .GT. 0 ) THEN\n DO N2 = NSTEPS, INDX, -1\n STEP_DATE( N2 + 1 ) = STEP_DATE( N2 )\n STEP_TIME( N2 + 1 ) = STEP_TIME( N2 )\n ENDDO\n \n STEP_DATE( INDX ) = JDATE\n STEP_TIME( INDX ) = JTIME\n STEP_FILE( INDX ) = NFL\n NSTEPS = NSTEPS + 1\n ENDIF\n\n ENDDO\n\n IF( INDX .EQ. 0 ) WRITE( LOGUNIT, 93000) JDATE, JTIME,\n & M3_FLNAME( NFL )\n CALL NEXTIME( JDATE, JTIME, TSTEP3D )\n\n ENDDO\n\n ENDDO\n\n RETURN\n\n\n93000 FORMAT( 10X, 'Duplicate time step ignored: ', I7, 1X, I6, 1X, A )\n\n END SUBROUTINE GET_TSTEPS\n\n END MODULE TIME_STEP\n\n\n\n\n\n\n\n\n" }, { "path": "POST/hr2day/src/parser.F", "content": "!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC***********************************************************************\nC routines for parsing a delimited text record\nC***********************************************************************\n\nC Return the number of fields in record\n INTEGER FUNCTION getNumberOfFields( record, delimiter ) result( nfields )\n\n CHARACTER*(*) record\n CHARACTER*(1) delimiter\n Integer getFieldCount\n\n Integer i\n\n ! if delimiter is space, use getFieldCount function\n if( delimiter.eq.' ') then\n nfields = getFieldCount(record, delimiter)\n return\n endif\n\n nfields = 1\n Do i=1, LEN(record)\n if( record(i:i) .eq. delimiter ) nfields = nfields+1\n EndDo\n\n Return\n End\n\nC Return the number of parsed fields in record\nC this method considers duplicate delimiters as one\n INTEGER FUNCTION getFieldCount(record, delimiter)\n & result(nfields)\n\n CHARACTER*(*) record\n CHARACTER*(*) delimiter\n\n Integer i\n Logical infield\n Logical isDel\n\n nfields = 0\n infield = .false.\n Do i=1,LEN(record)\n isDel = (record(i:i).eq.delimiter)\n\n ! check for start of field\n if( .NOT.infield .and. .NOT.isDel ) then\n nfields = nfields+1\n infield = .true.\n cycle\n endif\n\n ! check for end of field\n if( infield .and. isDel ) then\n infield = .false.\n cycle\n endif\n enddo \n \n Return\n end\n\n\nC Return the nth field of record\n Subroutine getField( record, delimiter, nth, field )\n\n CHARACTER*(*) record\n CHARACTER*(1) delimiter\n Integer nth\n CHARACTER*(*) field\n\n Integer nfields\n Integer i, pos1\n\n ! if delimiter is space, use method 2\n if( delimiter.eq.' ' ) then\n call getField2( record, delimiter, nth, field )\n call RightTrim(field)\n return\n endif\n \n pos1 = 1\n nfields = 0\n field = ''\n Do i=1, LEN(record)\n if( record(i:i) .eq. delimiter ) then\n nfields = nfields+1 \n if( nfields .eq. nth ) then\n if(pos1.lt.i) field = record(pos1:i-1)\n call RightTrim(field)\n return\n Endif\n pos1 = i+1\n Endif\n Enddo\n\n nfields = nfields+1 \n\n ! check if last field\n if( nfields .eq. nth ) then\n field = record(pos1:)\n Endif\n\n Call RightTrim(field)\n Return\n End\n \nC Return the nth field in record (method 2)\nC this method considers duplicate delimiters as one\nC\n Subroutine getField2( record, delimiter, nth, field )\n \n CHARACTER*(*) record\n CHARACTER*(*) delimiter\n Integer nth\n CHARACTER*(*) field\n \n Integer nfields\n Integer i, pos1\n Logical infield\n Logical isDel\n \n nfields = 0\n field = ''\n infield = .false.\n Do i=1,LEN(record)\n isDel = (record(i:i).eq.delimiter)\n \n ! check for start of field\n if( .NOT.infield .and. .NOT.isDel ) then \n nfields = nfields+1\n pos1 = i\n infield = .true.\n endif\n \n ! check for end of field\n if( infield .and. isDel ) then\n infield = .false.\n endif\n \n ! if end of nth field, return\n if( nfields.eq.nth .and. .not.infield ) then\n if(pos1.lt.i) field = record(pos1:i-1)\n return\n endif\n enddo\n \n ! check for last field\n if( nfields.eq.nth ) field = record(pos1:)\n \n Return\n End\n\n \nC Return the number of parsed fields in record\n INTEGER FUNCTION getParsedNumber( record, delimiter ) result( nfields )\n\n CHARACTER*(*) record\n CHARACTER*(*) delimiter\n\n Integer i\n\n nfields = 1\n Do i=1, LEN(record)\n if( index(delimiter,record(i:i)) .gt. 0 ) nfields = nfields+1\n EndDo\n\n Return\n End\n \nC Return the nth field of record\n Subroutine getParsedField( record, delimiter, nth, field, includeDel )\n\n CHARACTER*(*) record\n CHARACTER*(*) delimiter\n Integer nth\n CHARACTER*(*) field\n Logical includeDel \n\n Integer nfields\n Integer i, pos1\n \n pos1 = 1\n nfields = 0\n field = ''\n Do i=1, LEN(record)\n if( index(delimiter,record(i:i)) .gt. 0 ) then\n nfields = nfields+1 \n if( nfields .eq. nth ) then\n if( pos1.lt.i ) field = record(pos1:i-1)\n return\n Endif\n\n ! define starting point of next field\n pos1 = i+1\n if( includeDel ) pos1 = i\n \n Endif\n Enddo\n\n nfields = nfields+1 \n\n ! check if last field\n if( nfields .eq. nth ) then\n field = record(pos1:)\n Endif\n\n Return\n End\n \nC***********************************************************************\nC Returns the nth field of record\nC***********************************************************************\n Subroutine getFld( record, delimiter, nth, del, field )\n \n IMPLICIT NONE\n \n CHARACTER*(*) record\n CHARACTER*(*) delimiter\n CHARACTER del\n Integer nth\n CHARACTER*(*) field\n \n Integer nfields\n Integer i, pos1\n \n pos1 = 1\n nfields = 0\n del = delimiter(1:1)\n field = ''\n Do i=1, LEN(record)\n if( index( delimiter,record(i:i) ) .gt. 0 ) then\n nfields = nfields+1\n if( nfields .eq. nth ) then\n if(pos1.le.i) field = record(pos1:i-1)\n call LeftTrim(field)\n call RightTrim(field)\n return \n Endif \n del = record(i:i) \n pos1 = i+1 \n Endif \n Enddo \n \n nfields = nfields+1 \n \n ! check if last field \n if( nfields .eq. nth ) then \n field = record(pos1:) \n Endif \n \n Call LeftTrim(field) \n Call RightTrim(field) \n Return \n End\n\n\nC***********************************************************************\nC Returns the number of parsed fields in record\nC***********************************************************************\n INTEGER FUNCTION getFldCount(record, delimiter)\n & result(nfields)\n \n IMPLICIT NONE\n \n CHARACTER*(*) record\n CHARACTER*(*) delimiter\n \n Integer i\n Logical isDel\n \n nfields = 0\n if( LEN_TRIM(record).gt.0 ) nfields = 1\n \n Do i=1,LEN(record)\n isDel = ( index(delimiter, record(i:i)) .gt. 0 ) \n if( isDel ) then \n nfields = nfields+1 \n cycle \n endif \n enddo \n \n Return \n end \n \nC****************************************************************************\nC routine to remove leading blank spaces from Character String\nC****************************************************************************\n Subroutine LeftTrim( STRING )\n\n CHARACTER*(*) STRING\n Integer I\n\n Do I=1,LEN(STRING)\n if(STRING(I:I) .ne. CHAR(32)) Then\n STRING = STRING(I:)\n RETURN\n EndIf \n EndDo\n\n Return\n End Subroutine LeftTrim\n\nC****************************************************************************\nC routine to remove trailing white spaces from Character String\nC****************************************************************************\n Subroutine RightTrim( STRING )\n \n CHARACTER*(*) STRING\n Integer I\n \n Do I=LEN(STRING),1,-1\n if(STRING(I:I) .lt. CHAR(32)) STRING(I:I) = CHAR(32)\n if(STRING(I:I) .gt. CHAR(32)) Exit\n EndDo\n\n Return\n End Subroutine RightTrim\n\n\nC****************************************************************************\nC routine to remove quotation marks from character field\nC****************************************************************************\n Subroutine rmQuots( string )\n \n Implicit none\n \n ! arguments \n Character*(*) string\n \n Integer last, i\n \n \n call LeftTrim(string)\n last = LEN_TRIM(string)\n \n ! if no quot marks, return\n if( string(1:1).ne.'\"' .and. string(last:last).ne.'\"') return\n \n ! remove last quot mark\n string(last:last) = ' '\n \n do i=1,last-1\n string(i:i) = string(i+1:i+1)\n enddo \n \n Return \n End Subroutine rmQuots \n\nC***********************************************************************\nC Routine to change character string to upper characters\nC***********************************************************************\n SUBROUTINE UCASE ( STR )\n \n IMPLICIT NONE\n \n CHARACTER STR*( * )\n INTEGER I\n INTEGER K\n \n DO I = 1, LEN(STR)\n K = ICHAR(STR(I:I))\n IF ( ( K .GE. 97 ) .AND. ( K .LE. 122 ) )\n & STR( I:I ) = CHAR( K - 32 )\n END DO\n \n RETURN\n END SUBROUTINE UCASE\n\n" }, { "path": "POST/sitecmp/README.md", "content": "sitecmp\n========\n\nThis Fortran program generates a csv (comma separated values) file that compares CMAQ generated concentrations with an observed dataset.\n\n\n## Environment Run Time Variables:\n\n```\n TABLE_TYPE dataset type {IMPROVE, CASTNET, STN, NADP, MDN, SEARCH,\n DEARS, AIRMON, OUT_TABLE}\n M3_FILE_# ioapi input files containing modeled species data. \n\t The maximum number of IOAPI files is set to be one less than the global IOAPI parameter MXFILE3.\n\t Since this parameter is currently set to 64 (https://www.cmascenter.org/ioapi/documentation/all_versions/html/TUTORIAL.html),\n\t the maximum number of IOAPI input files is 63.\n [Note: Supported map projections are Lambert conformal, polar stereographic, and lat/lon.\n If an ioapi file is supplied that has a projection not in this list the program will \n stop with an error message.]\n SITE_FILE csv-formatted input file containing the station ID, latitude, longitude, and optionally \n GMT offset, state, county, and elevation for each monitor. \n The column headings for the required variables need to be stat_id, lat, and lon.\n The column headings for the optional variables (if present) need to be gmt_offset, state, county, \n\t and elevation.\n\t The column headings are case insensitve and the order of the columns does not matter.\n For legacy purposes, SITE_FILE can also be a tab delimited file with no header and three \n\t or four columns that contains site information for each monitor in the following fixed order:\n\t site-id, longitude, latitude, and optionally time zone offset between local time and GMT\n IN_TABLE input file with observed data (comma delimited with header)\n OUT_TABLE file for output data with columns of paired observed and modeled\n values\n```\n\n## Environment Variables (not required):\n```\n PRECIP defines the precipitation field used in WETDEP and\n WETCON calculations (default=\"Precip\")\n IOAPI_ISPH projection sphere type (use type #20 to match WRF/CMAQ)\n (ioapi default is 8)\n MISSING string to indicate missing output data values\n (default=\"-999\")\n START_DATE starting date of time period to process (YYYYJJJ)\n START_TIME starting time of time period to process (HHMMSS)\n END_DATE ending date of time period to process (YYYYJJJ)\n END_TIME ending time of time period to process (HHMMSS)\n APPLY_DLS apply daylight savings time (default N)\n TIME_SHIFT number of hours to add when retrieving time steps from M3_FILE_n files \n during processing. This should only be non-zero if the M3_FILE_n files\n were pre-processed with a utility like m3tshift (default 0)\n```\n\n## Species definitions: \nDefines the data columns for your output file. Each can specify the observed and modeled variables of the species you are analyzing. These definitions are specified by environment variables [species-type]_[1-50], where species type is one of the following {AERO, GAS, WETCON, WETDEP, PREC}. See the sample run scripts for additional examples beyond those listed below.\n```\n format: [Obs_expression], [Obs_units], [Mod_expression], [Mod_unit], [Variable_name]\n \n expression format: [factor1]*Obs_name1 [+][-] [factor2]*Obs_name2 ...\n \n types: AERO_n (AEROSOL Variables (1-50) - compute average over time)\n GAS_n (GAS Variables (1-50) - compute average over time)\n WETCON_n (Wet Concentration Variables (1-50) - compute\n volume-weighted average)\n WETDEP_n (Wet Deposition Variables (1-50) - compute\n accumulated wet deposition)\n PREC_n (Precipitation Variables (1-50) - compute\n accumulated precipitation)\n CHAR_n (Character fields (1-50), copies from Obs file)\n \n examples:\n AERO_1=\"SO4f_val,ug/m3, ASO4T,,sulfate\"\n (this defines an aerosol species where the observed values\n are obtained from the \"SO4f_val\" column setting its units\n to ug/m3, the modeled values are obtained from the \"ASO4T\"\n variable using its predefined units, both columns will be\n named \"sulfate\")\n \n PREC_1=\"Sub Ppt,mm,10*RT,mm,Precip\"\n (this defines a precipitation species where the observed\n values are obtained from the \"Sub Ppt\" column setting its\n units to mm, the modeled values are obtained by multiplying\n 10 times the \"RT\" variable and setting its units to mm,\n both columns will be named \"Precip\")\n \n AERO_2=\"NH4f_val,ug/m3,,,ammonium\"\n (this defines an aerosol species where the observed values\n are obtained from the \"NH4f_val\" column setting its units\n to ug/m3, there is no modeled values column, the column\n will be named ammonium)\n \n CHAR_1=\"NH4f_flag\"\n (this defines a character field to copy only from the observed field,\n no units or modeled species are used)\n```\n## File formats:\n```\n SITE_FILE - csv-formatted input file containing the station ID, latitude, longitude, and optionally \n GMT offset, state, county, and elevation for each monitor. \n The column headings for the required variables need to be stat_id, lat, and lon.\n The column headings for the optional variables (if present) need to be gmt_offset, state, county, \n\t and elevation.\n\t The column headings are case insensitve and the order of the columns does not matter.\n For legacy purposes, SITE_FILE can also be a tab delimited file with no header and three \n\t or four columns that contains site information for each monitor in the following fixed order:\n\t site-id, longitude, latitude, and optionally time zone offset between local time and GMT\n \n M3_FILE_n - IOAPI file containing modeled species data (n=1->12)\n \n IN_TABLE - text (csv) file containing observed data values\n Each type of dataset requires a site field and fields that define\n the data record's time period. These are the required fields for\n each type.\n \n IMPROVE - site field: \"site_code\"\n date field: \"obs_date\" (YYYYMMDD)\n The time period is 24 hours (midnight to midnight)\n \n NADP - site field: \"Site\"\n starting date: \"DateOn\" (MM/DD/YYYY)\n ending date: \"DateOff\" (MM/DD/YYYY)\n The time period is 9:00am to 8:59am\n \n STN - (Use with CSN data)\n site field: \"airs_site_code\"\n date field: \"DATETIME\" (MM/DD/YYYY)\n The time period is 24 hours (9:00am to 8:59am)\n \n MDN - site field: \"SITE\"\n starting date: \"START\" (MM/DD/YYYY)\n ending date: \"STOP\" (MM/DD/YYYY)\n The time period is 9:00am to 8:59am\n \n CASTNET - site field: \"Site_id\"\n starting date: \"DateOn\" (\"YYYY-MM-DD hh:mm:ss\")\n ending date: \"DateOff\" (\"YYYY-MM-DD hh:mm:ss\")\n \n MET - site field\" \"site_id\"\n starting date: \"date_time\" (\"YYYY-MM-DD hh:mm:ss\")\n ending date: 59 minutes added to starting time\n \n \n SEARCH - site field: \"Site_id\"\n starting date: \"DateOn\" (MM/DD/YYYY hh:mm)\n ending date: \"DateOff\" (MM/DD/YYYY hh:mm)\n \n DEARS - site field: \"PID\"\n starting date: \"StartDate\" (MM/DD/YY)\n The time period is 24 hours (9:00am to 8:59am)\n \n AIRMON - site field: \"Site\"\n starting date: \"Date/Time On\" (MM/DD/YYYY hh:mm)\n ending date: \"Date/Time Off\" (MM/DD/YYYY hh:mm)\n \n \n OUT_TABLE - output (csv) text file containing columns of paired observed and\n modeled values\n```\n\n## Compile sitecmp source code:\n\nExecute the build script to compile sitecmp:\n\n```\ncd $CMAQ_HOME/POST/sitecmp/scripts\n./bldit_sitecmp.csh [compiler] [version] |& tee build_sitecmp.log\n```\n\n## Run sitecmp:\nEdit the sample run script (run_sitecmp_AQS_Hourly.csh*), then run:\n\n```\n ./run_sitecmp_AQS_Hourly.csh |& tee sitecmp.log\n```\n\nCheck the log file to ensure complete and correct execution without errors.\n\n\n*A sample run scripts has been provided for matching model data to hourly observations from AQS. The README.txt file in the scripts folder shows the changes need to adapt this run script to one of the following networks: AERONET, AMON, CASTNET (hourly and weekly data), CSN, IMPROVE, NADP, and SEARCH (hourly and daily data). The formatted observation data files needed for running the sitecmp utility are available starting in 2000 from the CMAS Data Warehouse Google Drive: [North America Air Quaility Observation Files](https://drive.google.com/drive/folders/1QUlUXnHXvXz9qwePi5APzzHkiH5GWACw?usp=drive_link)\n\nNote that the run scripts rely on model output that has already been processed using the combine utility. The user should first run combine on ACONC and DEP output files to create the necessary COMBINE_ACONC and COMBINE_DEP files that contain the model species that can be matched to available observations. See the sample run scripts for the combine utility for examples on creating COMBINE_ACONC and COMBINE_DEP.\n" }, { "path": "POST/sitecmp/scripts/README.md", "content": "# Species List for sitecmp: Matching model and observed variables\n\nThe environment variables that control how CMAQ and observed values are matched using sitecmp will change depending on the observation network. Sitecmp requires observation data to be in a specific format. Sitecmp-ready observation data files going back to 2000 are available on the CMAS Data Warehouse Google Drive: [North America Air Quaility Observation Files](https://drive.google.com/drive/folders/1QUlUXnHXvXz9qwePi5APzzHkiH5GWACw?usp=drive_link). Data files are provided in AMET_OBSDATA_YYYY.tar.gz for year YYYY. These should be used when setting environment variable IN_TABLE. A site meta data file (SITE_FILE) is also needed for sitecmp. These can be found within the .tar.gz files under the *site_metadata_files* folder. \n\nThe variable names in these observation files can change over time. This README file provides the environment variables needed for the species list in the sitecmp run script for different networks and years. \n\nThis species information was generated using the [Atmospheric Model Evaluation Tool (AMET)](https://github.com/USEPA/AMET) which is also available github.com/USEPA. For further information on the mapping of observation species from each network to CMAQ model species, please see the section **AQ Species List Input File** of the [AMETv1.4 User's Guide](https://github.com/USEPA/AMET/blob/1.4b/docs/AMET_Users_Guide_v14.md).\n\nNote that the configuration options below are just for the species definition part of the sitecmp run script. See the run scripts within this folder for AQS, CSN, IMPROVE, NADP and SEARCH for examples of complete run scripts for sitecmp that include all necessary environment variables. \n\n### SITECMP Configuration Options for AERONET\n```\n# =====================================================================\n#> SITECMP Species List Configuration Options for AERONET\n# =====================================================================\n\n#> Set TABLE TYPE\n setenv TABLE_TYPE CASTNET\n\n#> Specify the variable names used in your observation inputs\n#> and model output files for each of the species you are analyzing below.\n#>\n#> variable format:\n#> Obs_expression, Obs_units, [Mod_expression], [Mod_unit], [Variable_name]\n#>\n#> The expression is in the form:\n#> [factor1]*Obs_name1 [+][-] [factor2]*Obs_name2 ...\n \n setenv AERO_1 \"AOT_340,none,SW_AOD_340,none,AOD_340\" \n setenv AERO_2 \"AOT_380,none,SW_AOD_380,none,AOD_380\"\n setenv AERO_3 \"AOT_440,none,SW_AOD_440,none,AOD_440\"\n setenv AERO_4 \"AOT_500,none,SW_AOD_500,none,AOD_500\"\n setenv AERO_5 \"AOT_555,none,SW_AOD_555,none,AOD_555\"\n setenv AERO_6 \"AOT_675,none,SW_AOD_675,none,AOD_675\"\n setenv AERO_7 \"AOT_870,none,SW_AOD_870,none,AOD_870\"\n setenv AERO_8 \"AOT_1020,none,SW_AOD_1020,none,AOD_1020\"\n setenv AERO_9 \"AOT_1640,none,SW_AOD_1640,none,AOD_1640\"\n\n#>> End Species List <<#\n\n#> file containing meta data (e.g., site-id, longitude, latitude, time zone) about each site.\n setenv SITE_FILE AERONET_sites.txt\n\n#> input table containing site-id, time-period, and data fields\n setenv IN_TABLE AERONET_hourly_data_2011.csv\n\n# =====================================================================\n#> END Options for AERONET\n# =====================================================================\n```\n\n### SITECMP Configuration Options for AMON\n```\n# =====================================================================\n#> SITECMP Species List Configuration Options for AMON\n# =====================================================================\n\n#> Set TABLE TYPE\n setenv TABLE_TYPE CASTNET\n\n#> Specify the variable names used in your observation inputs\n#> and model output files for each of the species you are analyzing below.\n#>\n#> variable format:\n#> Obs_expression, Obs_units, [Mod_expression], [Mod_unit], [Variable_name]\n#>\n#> The expression is in the form:\n#> [factor1]*Obs_name1 [+][-] [factor2]*Obs_name2 ...\n setenv AERO_1 \"NH3,ug/m3,NH3_UGM3,ug/m3,NH3\" # Ammonia\n \n#>> End Species List <<#\n\n#> file containing site-id, longitude, latitude, time zone (tab delimited)\n setenv SITE_FILE AMON_sites.txt\n\n#> input table containing site-id, time-period, and data fields\n setenv IN_TABLE AMON_data.csv\n\n# =====================================================================\n#> END Options for AMON\n# =====================================================================\n```\n\n### SITECMP Configuration Options for Hourly CASTNET data\n```\n# =====================================================================\n#> SITECMP Species List Configuration Options for Hourly CASTNET data\n# =====================================================================\n\n#> Set TABLE TYPE\n setenv TABLE_TYPE MET\n\n#> Specify the variable names used in your observation inputs\n#> and model output files for each of the species you are analyzing below.\n#>\n#> variable format:\n#> Obs_expression, Obs_units, [Mod_expression], [Mod_unit], [Variable_name]\n#>\n#> The expression is in the form:\n#> [factor1]*Obs_name1 [+][-] [factor2]*Obs_name2 ...\n setenv GAS_1 \"ozone,ppb,O3,ppb,O3\"\n setenv GAS_2 \"temperature,C,SFC_TMP,C,SFC_TMP\"\n setenv GAS_3 \"relative_humidity,%,RH,%,RH\"\n setenv GAS_4 \"solar_radiation,watts/m2,SOL_RAD,watts/m2,Solar_Rad\"\n setenv GAS_5 \"precipitation,mm/hr,precip,mm/hr,precip\"\n setenv GAS_6 \"windspeed,m/s,WSPD10,m/s,WSPD10\"\n# setenv GAS_7 \"wind_direction,deg,WDIR10,deg,WDIR10\"\n#>> End Species List <<#\n\n#> file containing site-id, longitude, latitude, time zone (tab delimited)\n setenv SITE_FILE CASTNET_sites.txt\n\n#> input table containing site-id, time-period, and data fields\n setenv IN_TABLE CASTNET_hourly_data_2011.csv\n\n# =====================================================================\n#> END Options for Hourly CASTNET\n# =====================================================================\n```\n### SITECMP Configuration Options for Weekly CASTNET data\n```\n# =====================================================================\n#> SITECMP Species List Configuration Options for Weekly CASTNET data\n# =====================================================================\n\n#> Set TABLE TYPE\n setenv TABLE_TYPE CASTNET\n\n#> Specify the variable names used in your observation inputs\n#> and model output files for each of the species you are analyzing below.\n#>\n#> variable format:\n#> Obs_expression, Obs_units, [Mod_expression], [Mod_unit], [Variable_name]\n#>\n#> The expression is in the form:\n#> [factor1]*Obs_name1 [+][-] [factor2]*Obs_name2 ...\n \n#> GAS Variables (1-10) - compute average over time\n#> Model output was originally in ppm, but conversions were already\n#> made in the combine extract to convert to ug/m3.\n setenv GAS_1 \"nhno3,ug/m3,HNO3_UGM3,,HNO3\" # nitric acid\n setenv GAS_2 \"total_so2,ug/m3,SO2_UGM3,,SO2\" # sulfur dioxide (total SO2 = Whatman Filter + 0.667*Nylon Filter)\n setenv GAS_3 \"1.15*total_so2,ug/m3,SO2_UGM3,,SO2_adj\" # adjusted SO2 value to account for observation bias (experimental)\n\n#> AEROSOL Variables - compute average over time\n setenv AERO_1 \"tso4,ug/m3,ASO4IJ,ug/m3,SO4\" # sulfate\n setenv AERO_2 \"tno3,ug/m3,ANO3IJ,ug/m3,NO3\" # nitrate\n setenv AERO_3 \"tnh4,ug/m3,ANH4IJ,ug/m3,NH4\" # ammonium\n setenv AERO_4 \"tno3+nhno3,ug/m3,ANO3IJ+HNO3_UGM3,ug/m3,TNO3\" # total nitrate\n\n#> PM2.5 Sharp Cutoff Species\n#> Requires preprocessing using AERODIAM file\n setenv AERO_5 \"tso4,ug/m3,PM25_SO4,ug/m3,PM25_SO4\" # sulfate using sharp cutoff\n setenv AERO_6 \"tno3,ug/m3,PM25_NO3,ug/m3,PM25_NO3\" # nitrate using sharp cutoff\n setenv AERO_7 \"tnh4,ug/m3,PM25_NH4,ug/m3,PM25_NH4\" # ammonium using sharp cutoff\n setenv AERO_8 \"tno3+nhno3,ug/m3,PM25_NO3+HNO3_UGM3,ug/m3,PM25_TNO3\" # total nitrate using sharp cutoff\n\n#> AERO6 species\n setenv AERO_9 \"MG,ug/m3,AMGJ,ug/m3,MG\" # ammonium using sharp cutoff\n setenv AERO_10 \"CA,ug/m3,ACAJ,ug/m3,CA\" # calcium using sharp cutoff\n setenv AERO_11 \"K,ug/m3,AKJ,ug/m3,K\" # potassium using sharp cutoff\n setenv AERO_12 \"NA,ug/m3,ANAIJ,ug/m3,NA\" # sodium using sharp cutoff\n setenv AERO_13 \"CL,ug/m3,ACLIJ,ug/m3,CL\" # chloride using sharp cutoff\n \n#>> End Species List <<#\n\n#> file containing site-id, longitude, latitude, time zone (tab delimited)\n setenv SITE_FILE CASTNET_sites.txt\n\n#> input table containing site-id, time-period, and data fields\n setenv IN_TABLE CASTNET_weekly_data_2011.csv\n\n# =====================================================================\n#> END Options for Weekly CASTNET\n# =====================================================================\n```\n### Runtime Environment Options for CSN (formally STN) \n#### CSN for 2009 and earlier\n```\n# ==================================================================\n#> Runtime Species List Environment Options for CSN (formally STN) \n#\n#> There are three formats of the CSN observed data .csv files. \n#> The number of columns and the column names changes across the \n#> time series provided (2001-2009, 2010, 2011-2013, 2014 and later).\n#> As a result the species defintions with the run script for the \n#> sitecmp program need to be changed accordingly.\n# ==================================================================\n\n# ==================================================================\n#> CSN for 2009 and earlier\n# ==================================================================\n\n#> Set TABLE TYPE\n setenv TABLE_TYPE STN\n\n#> Specify the variable names used in your observation inputs\n#> and model output files for each of the species you are analyzing below.\n#>\n#> variable format:\n#> Obs_expression, Obs_units, [Mod_expression], [Mod_unit], [Variable_name]\n#>\n#> The expression is in the form:\n#> [factor1]*Obs_name1 [+][-] [factor2]*Obs_name2 ...\n setenv AERO_1 \"m_so4,ug/m3, ASO4IJ,,SO4\"\n setenv AERO_2 \"m_no3,ug/m3, ANO3IJ,,NO3\"\n setenv AERO_3 \"m_nh4,ug/m3, ANH4IJ,,NH4\"\n setenv AERO_4 \"FRM PM2.5 Mass,ug/m3,ATOTIJ,,PM_TOT\"\n setenv AERO_5 \"FRM PM2.5 Mass,ug/m3,PMIJ_FRM,,PM_FRM\"\n setenv AERO_6 \"oc_adj,ug/m3, AOCIJ,,OC\"\n setenv AERO_7 \"ec_niosh,ug/m3, AECIJ,,EC\"\n setenv AERO_8 \"oc_adj+ec_niosh,ug/m3,AOCIJ+AECIJ,,TC\"\n\n## PM2.5 Sharp Cutoff Species\n## Requires preprocessing using AERODIAM file\n setenv AERO_9 \"m_so4,ug/m3, PM25_SO4,,PM25_SO4\"\n setenv AERO_10 \"m_no3,ug/m3, PM25_NO3,,PM25_NO3\"\n setenv AERO_11 \"m_nh4,ug/m3, PM25_NH4,,PM25_NH4\"\n setenv AERO_12 \"oc_adj,ug/m3, PM25_OC,,PM25_OC\"\n setenv AERO_13 \"ec_niosh,ug/m3, PM25_EC,,PM25_EC\"\n setenv AERO_14 \"oc_adj+ec_niosh,ug/m3,PM25_OC+PM25_EC,,PM25_TC\"\n setenv AERO_15 \"FRM PM2.5 Mass,ug/m3,PM25_TOT,ug/m3,PM25_TOT\"\n setenv AERO_16 \"FRM PM2.5 Mass,ug/m3,PM25_FRM,ug/m3,PM25_FRM\"\n\n# AERO6 species\n## note we use Sodium Ion instead of sodium (XRF) becasue XRF is not reliable for sodium\n## all other elemental concentrations (including Cl and K) come from XRF\n setenv AERO_17 \"Sodium Ion,ug/m3, ANAIJ,,Na\"\n setenv AERO_18 \"chlorine,ug/m3, ACLIJ,,Cl\"\n setenv AERO_19 \"iron,ug/m3, AFEJ,,Fe\"\n setenv AERO_20 \"aluminum,ug/m3,AALJ,,Al\"\n setenv AERO_21 \"silicon,ug/m3, ASIJ,,Si\"\n setenv AERO_22 \"titanium,ug/m3, ATIJ,,Ti\"\n setenv AERO_23 \"calcium,ug/m3,ACAJ,,Ca\"\n setenv AERO_24 \"magnesium,ug/m3,AMGJ,,Mg\"\n setenv AERO_25 \"potassium,ug/m3,AKJ,,K\"\n setenv AERO_26 \"manganese,ug/m3,AMNJ,,Mn\"\n setenv AERO_27 \"2.2*aluminum+2.49*silicon+1.63*calcium+2.42*iron+1.94*titanium,ug/m3,ASOILJ,,soil\"\n setenv AERO_28 \"Sodium Ion + chlorine, ug/m3, ANAIJ+ACLIJ,,NaCl\"\n setenv AERO_29 \"FRM PM2.5 Mass - m_so4 - m_no3 - m_nh4 - oc_adj - ec_niosh - [Sodium Ion] - [chlorine] - 2.2*aluminum - 2.49*silicon - 1.63*calcium - 2.42*iron - 1.94*titanium , ug/m3, AUNSPEC1IJ,,OTHER\"\n setenv AERO_30 \"0.8*oc_adj, ug/m3, ANCOMIJ,,NCOM\"\n setenv AERO_31 \"FRM PM2.5 Mass - m_so4 - m_no3 - m_nh4 - oc_adj - ec_niosh - [Sodium Ion] - [chlorine] - 2.2*aluminum - 2.49*silicon - 1.63*calcium - 2.42*iron - 1.94*titanium - 0.8*oc_adj, ug/m3, AUNSPEC2IJ,,OTHER_REM\"\n \n#>> End Species List <<#\n\n\n#> file containing site-id, longitude, latitude, time zone (tab delimited)\n setenv SITE_FILE AQS_sites.txt\n\n#> input table containing site-id, time-period, and data fields\n setenv IN_TABLE CSN_hourly_data_2009.csv\n```\n\n#### CSN for 2010\n```\n# ==================================================================\n#> Runtime Species List Environment Options for CSN (formally STN) \n#\n#> There are three formats of the CSN observed data .csv files. \n#> The number of columns and the column names changes across the \n#> time series provided (2001-2009, 2010, 2011-2013, 2014 and later).\n#> As a result the species defintions with the run script for the \n#> sitecmp program need to be changed accordingly.\n# ==================================================================\n\n# ==================================================================\n#> CSN for 2010\n# ==================================================================\n\n#> Set TABLE TYPE\n setenv TABLE_TYPE STN\n\n#> Specify the variable names used in your observation inputs\n#> and model output files for each of the species you are analyzing below.\n#>\n#> variable format:\n#> Obs_expression, Obs_units, [Mod_expression], [Mod_unit], [Variable_name]\n#>\n#> The expression is in the form:\n#> [factor1]*Obs_name1 [+][-] [factor2]*Obs_name2 ...\n setenv AERO_1 \"m_so4,ug/m3, ASO4IJ,,SO4\"\n setenv AERO_2 \"m_no3,ug/m3, ANO3IJ,,NO3\"\n setenv AERO_3 \"m_nh4,ug/m3, ANH4IJ,,NH4\"\n setenv AERO_4 \"PM2.5 Mass,ug/m3,ATOTIJ,,PM_TOT\"\n setenv AERO_5 \"PM2.5 Mass,ug/m3,PMIJ_FRM,,PM_FRM\"\n setenv AERO_6 \"oc_adj,ug/m3, AOCIJ,,OC\"\n setenv AERO_7 \"ec_tor,ug/m3, AECIJ,,EC\"\n setenv AERO_8 \"oc_adj+ec_tor,ug/m3,AOCIJ+AECIJ,,TC\"\n\n## PM2.5 Sharp Cutoff Species\n## Requires preprocessing using AERODIAM file\n setenv AERO_9 \"m_so4,ug/m3, PM25_SO4,,PM25_SO4\"\n setenv AERO_10 \"m_no3,ug/m3, PM25_NO3,,PM25_NO3\"\n setenv AERO_11 \"m_nh4,ug/m3, PM25_NH4,,PM25_NH4\"\n setenv AERO_12 \"oc_adj,ug/m3, PM25_OC,,PM25_OC\"\n setenv AERO_13 \"ec_tor,ug/m3, PM25_EC,,PM25_EC\"\n setenv AERO_14 \"oc_adj+ec_tor,ug/m3,PM25_OC+PM25_EC,,PM25_TC\"\n setenv AERO_15 \"PM2.5 Mass,ug/m3,PM25_TOT,ug/m3,PM25_TOT\"\n setenv AERO_16 \"PM2.5 Mass,ug/m3,PM25_FRM,ug/m3,PM25_FRM\"\n\n# AERO6 species\n## note we use Sodium Ion instead of sodium (XRF) becasue XRF is not reliable for sodium\n## all other elemental concentrations (including Cl and K) come from XRF\n setenv AERO_17 \"Sodium Ion,ug/m3, ANAIJ,,Na\"\n setenv AERO_18 \"chlorine,ug/m3, ACLIJ,,Cl\"\n setenv AERO_19 \"iron,ug/m3, AFEJ,,Fe\"\n setenv AERO_20 \"aluminum,ug/m3,AALJ,,Al\"\n setenv AERO_21 \"silicon,ug/m3, ASIJ,,Si\"\n setenv AERO_22 \"titanium,ug/m3, ATIJ,,Ti\"\n setenv AERO_23 \"calcium,ug/m3,ACAJ,,Ca\"\n setenv AERO_24 \"magnesium,ug/m3,AMGJ,,Mg\"\n setenv AERO_25 \"potassium,ug/m3,AKJ,,K\"\n setenv AERO_26 \"manganese,ug/m3,AMNJ,,Mn\"\n setenv AERO_27 \"2.2*aluminum+2.49*silicon+1.63*calcium+2.42*iron+1.94*titanium,ug/m3,ASOILJ,,soil\"\n setenv AERO_28 \"Sodium Ion + chlorine, ug/m3, ANAIJ+ACLIJ,,NaCl\"\n setenv AERO_29 \"PM2.5 Mass - m_so4 - m_no3 - m_nh4 - oc_adj - ec_tor - [Sodium Ion] - [chlorine] - 2.2*aluminum - 2.49*silicon - 1.63*calcium - 2.42*iron - 1.94*titanium , ug/m3, AUNSPEC1IJ,,OTHER\"\n setenv AERO_30 \"0.8*oc_adj, ug/m3, ANCOMIJ,,NCOM\"\n setenv AERO_31 \"PM2.5 Mass - m_so4 - m_no3 - m_nh4 - oc_adj - ec_niosh - [Sodium Ion] - [chlorine] - 2.2*aluminum - 2.49*silicon - 1.63*calcium - 2.42*iron - 1.94*titanium - 0.8*oc_adj, ug/m3, AUNSPEC2IJ,,OTHER_REM\"\n \n#>> End Species List <<#\n\n#> file containing site-id, longitude, latitude, time zone (tab delimited)\n setenv SITE_FILE AQS_sites.txt\n\n#> input table containing site-id, time-period, and data fields\n setenv IN_TABLE CSN_hourly_data_2010.csv\n```\n\n#### CSN for 2011-2013\n```\n# ==================================================================\n#> Runtime Species List Environment Options for CSN (formally STN) \n#\n#> There are three formats of the CSN observed data .csv files. \n#> The number of columns and the column names changes across the \n#> time series provided (2001-2009, 2010, 2011-2013, 2014 and later).\n#> As a result the species defintions with the run script for the \n#> sitecmp program need to be changed accordingly.\n# ==================================================================\n\n# ==================================================================\n#> CSN for 2011-2013\n# ==================================================================\n\n#> Set TABLE TYPE\n setenv TABLE_TYPE STN\n\n#> Specify the variable names used in your observation inputs\n#> and model output files for each of the species you are analyzing below.\n#>\n#> variable format:\n#> Obs_expression, Obs_units, [Mod_expression], [Mod_unit], [Variable_name]\n#>\n#> The expression is in the form:\n#> [factor1]*Obs_name1 [+][-] [factor2]*Obs_name2 ...\n setenv AERO_1 \"SO4f_val,ug/m3, ASO4IJ,,SO4\"\n setenv AERO_2 \"NO3f_val,ug/m3, ANO3IJ,,NO3\"\n setenv AERO_3 \"NH4f_val,ug/m3, ANH4IJ,,NH4\"\n setenv AERO_4 \"88502_val,ug/m3,ATOTIJ,,PM_TOT\"\n setenv AERO_5 \"88502_val,ug/m3,PMIJ_FRM,,PM_FRM\"\n setenv AERO_6 \"88370_val-blank,ug/m3, AOCIJ,,OC\"\n setenv AERO_7 \"88380_val,ug/m3, AECIJ,,EC\"\n setenv AERO_8 \"88370_val-blank+88380_val,ug/m3,AOCIJ+AECIJ,,TC\"\n \n#> PM2.5 Sharp Cutoff Species\n#> Requires preprocessing using AERODIAM file\n setenv AERO_9 \"SO4f_val,ug/m3, PM25_SO4,,PM25_SO4\"\n setenv AERO_10 \"NO3f_val,ug/m3, PM25_NO3,,PM25_NO3\"\n setenv AERO_11 \"NH4f_val,ug/m3, PM25_NH4,,PM25_NH4\"\n setenv AERO_12 \"88370_val-blank,ug/m3, PM25_OC,,PM25_OC\"\n setenv AERO_13 \"88380_val,ug/m3, PM25_EC,,PM25_EC\"\n setenv AERO_14 \"88370_val-blank+88380_val,ug/m3,PM25_OC+PM25_EC,,PM25_TC\"\n setenv AERO_15 \"88502_val,ug/m3,PM25_TOT,ug/m3,PM25_TOT\"\n setenv AERO_16 \"88502_val,ug/m3,PM25_FRM,ug/m3,PM25_FRM\"\n \n#> AERO6 species\n#> note we use Sodium Ion instead of sodium (XRF) becasue XRF is not reliable for sodium\n#> all other elemental concentrations (including Cl and K) come from XRF\n setenv AERO_17 \"NAf_val,ug/m3, ANAIJ,,Na\"\n setenv AERO_18 \"CLf_val,ug/m3, ACLIJ,,Cl\"\n setenv AERO_19 \"FEf_val,ug/m3, AFEJ,,Fe\"\n setenv AERO_20 \"ALf_val,ug/m3,AALJ,,Al\"\n setenv AERO_21 \"SIf_val,ug/m3, ASIJ,,Si\"\n setenv AERO_22 \"TIf_val,ug/m3, ATIJ,,Ti\"\n setenv AERO_23 \"CAf_val,ug/m3,ACAJ,,Ca\"\n setenv AERO_24 \"MGf_val,ug/m3,AMGJ,,Mg\"\n setenv AERO_25 \"Kf_val,ug/m3,AKJ,,K\"\n setenv AERO_26 \"MNf_val,ug/m3,AMNJ,,Mn\"\n setenv AERO_27 \"2.2*ALf_val+2.49*SIf_val+1.63*CAf_val+2.42*FEf_val+1.94*TIf_val,ug/m3,ASOILJ,,soil\"\n setenv AERO_28 \"NAf_val + CLf_val, ug/m3, ANAIJ+ACLIJ,,NaCl\"\n setenv AERO_29 \"88502_val-SO4f_val-NO3f_val-NH4f_val-88370_val-blank-88380_val-[NAf_val]-[CLf_val]-2.2*ALf_val-2.49*SIf_val-1.63*CAf_val-2.42*FEf_val-1.94*TIf_val , ug/m3, AUNSPEC1IJ,,OTHER\"\n setenv AERO_30 \"0.8*88370_val-blank,ug/m3, ANCOMIJ,,NCOM\"\n setenv AERO_31 \"88502_val-SO4f_val-NO3f_val-NH4f_val-88370_val-blank-88380_val-[NAf_val]-[CLf_val]-2.2*ALf_val-2.49*SIf_val-1.63*CAf_val-2.42*FEf_val-1.94*TIf_val-0.8*88370_val-blank,ug/m3, AUNSPEC2IJ,,OTHER_REM\"\n \n#>> End Species List <<#\n\n#> file containing site-id, longitude, latitude, time zone (tab delimited)\n setenv SITE_FILE AQS_sites.txt\n\n#> input table containing site-id, time-period, and data fields\n setenv IN_TABLE CSN_data_2011_VIEWS.csv\n```\n\n#### CSN for 2014 and later\n```\n# ==================================================================\n#> Runtime Species List Environment Options for CSN (formally STN) \n#\n#> There are three formats of the CSN observed data .csv files. \n#> The number of columns and the column names changes across the \n#> time series provided (2001-2009, 2010, 2011-2013, 2014 and later).\n#> As a result the species defintions with the run script for the \n#> sitecmp program need to be changed accordingly.\n# ==================================================================\n\n# ==================================================================\n#> CSN for 2014 and later\n# ==================================================================\n\n#> Set TABLE TYPE\n setenv TABLE_TYPE STN\n\n#> Specify the variable names used in your observation inputs\n#> and model output files for each of the species you are analyzing below.\n#>\n#> variable format:\n#> Obs_expression, Obs_units, [Mod_expression], [Mod_unit], [Variable_name]\n#>\n#> The expression is in the form:\n#> [factor1]*Obs_name1 [+][-] [factor2]*Obs_name2 ...\n setenv AERO_1 \"SO4f_val,ug/m3, ASO4IJ,,SO4\"\n setenv AERO_2 \"NO3f_val,ug/m3, ANO3IJ,,NO3\"\n setenv AERO_3 \"NH4f_val,ug/m3, ANH4IJ,,NH4\"\n setenv AERO_4 \"PM25,ug/m3,ATOTIJ,,PM_TOT\"\n setenv AERO_5 \"PM25,ug/m3,PMIJ_FRM,,PM_FRM\"\n setenv AERO_6 \"88370_val-blank,ug/m3, AOCIJ,,OC\"\n setenv AERO_7 \"88380_val,ug/m3, AECIJ,,EC\"\n setenv AERO_8 \"88370_val-blank+88380_val,ug/m3,AOCIJ+AECIJ,,TC\"\n \n#> PM2.5 Sharp Cutoff Species\n#> Requires preprocessing using AERODIAM file\n setenv AERO_9 \"SO4f_val,ug/m3, PM25_SO4,,PM25_SO4\"\n setenv AERO_10 \"NO3f_val,ug/m3, PM25_NO3,,PM25_NO3\"\n setenv AERO_11 \"NH4f_val,ug/m3, PM25_NH4,,PM25_NH4\"\n setenv AERO_12 \"88370_val-blank,ug/m3, PM25_OC,,PM25_OC\"\n setenv AERO_13 \"88380_val,ug/m3, PM25_EC,,PM25_EC\"\n setenv AERO_14 \"88370_val-blank+88380_val,ug/m3,PM25_OC+PM25_EC,,PM25_TC\"\n setenv AERO_15 \"PM25,ug/m3,PM25_TOT,ug/m3,PM25_TOT\"\n setenv AERO_16 \"PM25,ug/m3,PM25_FRM,ug/m3,PM25_FRM\"\n \n#> AERO6 species\n#> note we use Sodium Ion instead of sodium (XRF) becasue XRF is not reliable for sodium\n#> all other elemental concentrations (including Cl and K) come from XRF\n setenv AERO_17 \"NAf_val,ug/m3, ANAIJ,,Na\"\n setenv AERO_18 \"CLf_val,ug/m3, ACLIJ,,Cl\"\n setenv AERO_19 \"FEf_val,ug/m3, AFEJ,,Fe\"\n setenv AERO_20 \"ALf_val,ug/m3,AALJ,,Al\"\n setenv AERO_21 \"SIf_val,ug/m3, ASIJ,,Si\"\n setenv AERO_22 \"TIf_val,ug/m3, ATIJ,,Ti\"\n setenv AERO_23 \"CAf_val,ug/m3,ACAJ,,Ca\"\n setenv AERO_24 \"MGf_val,ug/m3,AMGJ,,Mg\"\n setenv AERO_25 \"Kf_val,ug/m3,AKJ,,K\"\n setenv AERO_26 \"MNf_val,ug/m3,AMNJ,,Mn\"\n setenv AERO_27 \"2.2*ALf_val+2.49*SIf_val+1.63*CAf_val+2.42*FEf_val+1.94*TIf_val,ug/m3,ASOILJ,,soil\"\n setenv AERO_28 \"NAf_val + CLf_val, ug/m3, ANAIJ+ACLIJ,,NaCl\"\n setenv AERO_29 \"PM25-SO4f_val-NO3f_val-NH4f_val-88370_val-blank-88380_val-[NAf_val]-[CLf_val]-2.2*ALf_val-2.49*SIf_val-1.63*CAf_val-2.42*FEf_val-1.94*TIf_val , ug/m3, AUNSPEC1IJ,,OTHER\"\n setenv AERO_30 \"0.8*88370_val-blank,ug/m3, ANCOMIJ,,NCOM\"\n setenv AERO_31 \"PM25-SO4f_val-NO3f_val-NH4f_val-88370_val-blank-88380_val-[NAf_val]-[CLf_val]-2.2*ALf_val-2.49*SIf_val-1.63*CAf_val-2.42*FEf_val-1.94*TIf_val-0.8*88370_val-blank,ug/m3, AUNSPEC2IJ,,OTHER_REM\"\n \n#>> End Species List <<#\n\n#> file containing site-id, longitude, latitude, time zone (tab delimited)\n setenv SITE_FILE AQS_sites.txt\n\n#> input table containing site-id, time-period, and data fields\n setenv IN_TABLE CSN_data_2011_VIEWS.csv\n\n# =====================================================================\n#> END Options for CSN\n# =====================================================================\n```\n\n### SITECMP Configuration Options for IMPROVE\n```\n# =====================================================================\n#> SITECMP Species List Configuration Options for IMPROVE\n# =====================================================================\n#> Set TABLE TYPE\n setenv TABLE_TYPE IMPROVE\n\n#> Specify the variable names used in your observation inputs\n#> and model output files for each of the species you are analyzing below.\n#>\n#> variable format:\n#> Obs_expression, Obs_units, [Mod_expression], [Mod_unit], [Variable_name]\n#>\n#> The expression is in the form:\n#> [factor1]*Obs_name1 [+][-] [factor2]*Obs_name2 ...\n setenv AERO_1 \"SO4f_val,ug/m3,ASO4IJ,,SO4\" # sulfate\n setenv AERO_2 \"NO3f_val,ug/m3,ANO3IJ,,NO3\" # nitrate\n setenv AERO_3 \"0.2903*NO3f_val+0.375*SO4f_val,ug/m3,ANH4IJ,,NH4\" # ammonium (estimated assuming fully neutralized SO4 and NO3)\n setenv AERO_4 \"MF_val,ug/m3,ATOTIJ,ug/m3,PM_TOT\" # Total PM2.5 mass \n setenv AERO_5 \"OCf_val,ug/m3,AOCIJ,,OC\" # Organic Carbon\n setenv AERO_6 \"ECf_val,ug/m3,AECIJ,,EC\" # Elemental Carbon\n setenv AERO_7 \"OCf_val+ECf_val,ug/m3,AOCIJ+AECIJ,,TC\" # Total Carbon\n setenv AERO_8 \"CHLf_val,ug/m3,ACLIJ,ug/m3,Cl\" # CL Ion\n setenv AERO_9 \"MT_val,ug/m3,PM10,ug/m3,PM10\" # PM10\n setenv AERO_10 \"CM_calculated_val,ug/m3,PMC_TOT,ug/m3,PMC_TOT\" # PM Course\n\n#> PM2.5 Sharp Cutoff Species\n#> Requires preprocessing using AERODIAM file\n setenv AERO_11 \"SO4f_val,ug/m3,PM25_SO4,,PM25_SO4\" # sulfate (< 2.5um)\n setenv AERO_12 \"NO3f_val,ug/m3,PM25_NO3,,PM25_NO3\" \t # nitrate (< 2.5um)\n setenv AERO_13 \"0.2903*NO3f_val+0.375*SO4f_val,ug/m3,PM25_NH4,,PM25_NH4\" # ammonium (< 2.5um)\n setenv AERO_14 \"OCf_val,ug/m3,PM25_OC,,PM25_OC\" \t # Organic Carbon (< 2.5um)\n setenv AERO_15 \"ECf_val,ug/m3,PM25_EC,,PM25_EC\" \t # Elemental Carbon (< 2.5um)\n setenv AERO_16 \"OCf_val+ECf_val,ug/m3,PM25_OC+PM25_EC,,PM25_TC\" \t # Total Carbon (< 2.5um)\n setenv AERO_17 \"MF_val,ug/m3,PM25_TOT,ug/m3,PM25_TOT\" # Total PM2.5 mass (< 2.5um)\n setenv AERO_18 \"CHLf_val,ug/m3,PM25_CL,ug/m3,PM25_Cl\" # CL Ion (< 2.5um)\n\n#> New AE6 species\n#> note: we use XRF sodium because there is not IC sodium mesaurement\n#> we use IC measurement for chlorid (CHLf_val) instead of XRF chlroine (CLf_Val)\n setenv AERO_19 \"NAf_val,ug/m3, ANAIJ,,Na\" # sodium\n setenv AERO_20 \"NAf_val + CHLf_val,ug/m3,ACLIJ + ANAIJ,,NaCl\" # sodium chloride\n setenv AERO_21 \"FEf_val,ug/m3, AFEJ,,Fe\" # iron\n setenv AERO_22 \"ALf_val,ug/m3,AALJ,,Al\" # aluminum \n setenv AERO_23 \"SIf_val,ug/m3, ASIJ,,Si\" # silicon\n setenv AERO_24 \"TIf_val,ug/m3, ATIJ,,Ti\" # titanium\n setenv AERO_25 \"CAf_val,ug/m3,ACAJ,,Ca\" # calcium\n setenv AERO_26 \"MGf_val,ug/m3,AMGJ,,Mg\" # magnesium\n setenv AERO_27 \"Kf_val,ug/m3,AKJ,,K\" # potassium\n setenv AERO_28 \"MNf_val,ug/m3,AMNJ,,Mn\" # manganese\n setenv AERO_29 \"2.20*ALf_val+2.49*SIf_val+1.63*CAf_val+2.42*FEf_val+1.94*TIf_val,ug/m3,ASOILJ,,soil\" # IMPROVE soil eqn.\n setenv AERO_30 \"MF_val-SO4f_val-NO3f_val-0.2903*NO3f_val-0.375*SO4f_val-OCf_val-ECf_val-NAf_val-CHLf_val-2.2*ALf_val-2.49*SIf_val-1.63*CAf_val-2.42*FEf_val-1.94*TIf_val,ug/m3,AUNSPEC1IJ,,OTHER\" # PM Other\n setenv AERO_31 \",ug/m3, ANCOMIJ,,NCOM\" # PM Other\n setenv AERO_32 \",ug/m3, AUNSPEC2IJ,,OTHER_REM\" # PM Other\n\n#>> End Species List <<#\n\n\n#> file containing site-id, longitude, latitude, time zone (tab delimited)\n setenv SITE_FILE IMPROVE_sites.txt\n\n#> input table containing site-id, time-period, and data fields\n setenv IN_TABLE IMPROVE_data_2011.csv\n\n# =====================================================================\n#> END Options for IMPROVE\n# =====================================================================\n```\n\n### SITECMP Configuration Options for NADP\n```\n# =====================================================================\n#> SITECMP Species List Configuration Options for NADP\n# =====================================================================\n#> Set TABLE TYPE\n setenv TABLE_TYPE NADP\n\n#> Specify the variable names used in your observation inputs\n#> and model output files for each of the species you are analyzing below.\n#>\n#> variable format:\n#> Obs_expression, Obs_units, [Mod_expression], [Mod_unit], [Variable_name]\n#>\n#> The expression is in the form:\n#> [factor1]*Obs_name1 [+][-] [factor2]*Obs_name2 ...\n\n setenv CHAR_1 \"Valcode\"\n setenv CHAR_2 \"Invalcode\"\n\n#> Wet Concentration Variables (1-10) - compute volume-weighted average (VWAVG) in mg/l\n#> Observed values are already volume-weighted averages for the collection\n#> period. Original model output is hourly wet deposition. To calculate\n#> VWAVG, the modeled wet deposition is accumulated for the collection time\n#> period, divided by the total precipitation (mm), and * 100. Resultingi\n#> units are mg/l.\n\n setenv WETCON_1 \"NH4,mg/l,WDEP_NHX,mg/l,NH4_conc\"\n setenv WETCON_2 \"NO3,mg/l,WDEP_TNO3,mg/l,NO3_conc\"\n setenv WETCON_3 \"SO4,mg/l,WDEP_TSO4,mg/l,SO4_conc\"\n setenv WETCON_4 \"Cl,mg/l,WDEP_TCL,mg/l,Cl_conc\"\n setenv WETCON_5 \"Na,mg/l,WDEP_ANAJK,mg/l,Na_conc\"\n\n#> Wet Deposition Variables (1-10) - compute accumulated wet deposition in kg/ha\n#> Observed values are volume-weighted average wet concentrations for thei\n#> collection period (mg/l). To convert to wet deposition, multiply the wet\n#> concentration values by the total observed precip (Sub Ppt in mm), and then\n#> divide by 100. Original model output is hourly wet deposition. The modeled\n#> wet deposition is accumulated for the collection time period.\n\n setenv WETDEP_1 \"NH4,kg/ha,WDEP_NHX,kg/ha,NH4_dep\" # Ammonium wet deposition\n setenv WETDEP_2 \"NO3,kg/ha,WDEP_TNO3,kg/ha,NO3_dep\" # Nitrate wet deposition\n setenv WETDEP_3 \"SO4,kg/ha,WDEP_TSO4,kg/ha,SO4_dep\" # Sulfate wet deposition \n setenv WETDEP_4 \"Cl,kg/ha,WDEP_TCL,kg/ha,Cl_dep\" # Chloride wet deposition \n setenv WETDEP_5 \"Na,kg/ha,WDEP_ANAJK,kg/ha,Na_dep\" # Sodium wet deposition\n\n#> Precipitation Variables (1-10) - compute accumulated precipitation\n\n setenv PREC_1 \"Sub Ppt,mm,10*RT,mm,Precip\"\n\n\n#> AERO6 species\n setenv WETCON_6 \"Ca,mg/l,WDEP_CAJK,mg/l,CA_conc\"\n setenv WETCON_7 \"Mg,mg/l,WDEP_MGJK,mg/l,MG_conc\"\n setenv WETCON_8 \"K,mg/l,WDEP_KJK,mg/l,K_conc\"\n\n setenv WETDEP_6 \"Ca,kg/ha,WDEP_CAJK,kg/ha,CA_dep\"\n setenv WETDEP_7 \"Mg,kg/ha,WDEP_MGJK,kg/ha,MG_dep\"\n setenv WETDEP_8 \"K,kg/ha,WDEP_KJK,kg/ha,K_dep\"\n \n#>> End Species List <<#\n\n#> site containing site-id, longitude, latitude, time zone (tab delimited)\n setenv SITE_FILE NADP_sites.txt\n\n#> input table containing site-id, time-period, and data fields\n setenv IN_TABLE NADP_data_2011.csv\n\n\n# =====================================================================\n#> END Options for NADP\n# =====================================================================\n```\n\n### Runtime Environment Options for Hourly SEARCH \n#### Hourly SEARCH for 2004 and earlier\n```\n# ==================================================================\n#> Runtime Species List Environment Options for Hourly SEARCH \n#\n#> There are four formats of the SEARCH observed hourly data .csv files. \n#> The number of columns and the column names changes across the time \n#> series provided (2001-2004, 2005, 2006-2010, 2011-2014).\n#> As a result the species defintions with the run script for the \n#> sitecmp program need to be changed accordingly.\n# ==================================================================\n\n# ==================================================================\n#> Hourly SEARCH for 2004 and earlier\n# ==================================================================\n#> Set TABLE TYPE\n setenv TABLE_TYPE CASTNET\n\n#> Specify the variable names used in your observation inputs\n#> and model output files for each of the species you are analyzing below.\n#>\n#> variable format:\n#> Obs_expression, Obs_units, [Mod_expression], [Mod_unit], [Variable_name]\n#>\n#> The expression is in the form:\n#> [factor1]*Obs_name1 [+][-] [factor2]*Obs_name2 ...\n setenv AERO_1 \"o3,ppb,O3,,O3\"\n setenv AERO_2 \"co,ppb,CO,,CO\"\n setenv AERO_3 \"so2,ppb,SO2,,SO2\"\n setenv AERO_4 \"no,ppb,NO,,NO\"\n setenv AERO_5 \"no2,ppb,NO2,,NO2\"\n setenv AERO_6 \"noy,ppb,NOY,ppb,NOY\"\n setenv AERO_7 \"wsp,m/s,WSPD10,m/s,WSPD10\"\n setenv AERO_8 \"wdr,m/s,WDIR10,m/s,WDIR10\"\n setenv AERO_9 \"rh,%,RH,%,RH\"\n setenv AERO_10 \"temp,C,SFC_TMP,C,SFC_TMP\"\n setenv AERO_12 \"sr,w/m2,SOL_RAD,watts/m2,Solar_Rad\"\n \n#>> End Species List <<#\n\n#> file containing site-id, longitude, latitude, time zone (tab delimited)\n setenv SITE_FILE SEARCH_sites.txt\n\n#> input table containing site-id, time-period, and data fields\n setenv IN_TABLE SEARCH_hourly_data_2004.csv\n\n```\n#### Hourly SEARCH for 2005\n```\n# ==================================================================\n#> Runtime Environment Options for Hourly SEARCH \n#\n#> There are four formats of the SEARCH observed hourly data .csv files. \n#> The number of columns and the column names changes across the time \n#> series provided (2001-2004, 2005, 2006-2010, 2011-2014).\n#> As a result the species defintions with the run script for the \n#> sitecmp program need to be changed accordingly.\n# ==================================================================\n\n\n# ==================================================================\n#> Hourly Species List SEARCH for 2005 \n# ==================================================================\n#> Set TABLE TYPE\n setenv TABLE_TYPE CASTNET\n\n#> Specify the variable names used in your observation inputs\n#> and model output files for each of the species you are analyzing below.\n#>\n#> variable format:\n#> Obs_expression, Obs_units, [Mod_expression], [Mod_unit], [Variable_name]\n#>\n#> The expression is in the form:\n#> [factor1]*Obs_name1 [+][-] [factor2]*Obs_name2 ...\n setenv AERO_1 \"average o3[ppb],ppb,O3,,O3\"\n setenv AERO_2 \"average co[ppb],ppb,CO,,CO\"\n setenv AERO_3 \"average so2[ppb],ppb,SO2,,SO2\"\n setenv AERO_4 \"average no[ppb],ppb,NO,,NO\"\n setenv AERO_5 \"average no2[ppb],ppb,NO2,,NO2\"\n setenv AERO_6 \"average noy[ppb],ppb,NOY,ppb,NOY\"\n setenv AERO_7 \"average wsp[m/s],m/s,WSPD10,m/s,WSPD10\"\n setenv AERO_8 \"average wdr[deg],m/s,WDIR10,m/s,WDIR10\"\n setenv AERO_9 \"average rh[%],%,RH,%,RH\"\n setenv AERO_10 \"average temp[deg c],C,SFC_TMP,C,SFC_TMP\"\n setenv AERO_11 \"25.4*average rainfall[inches],mm,precip,mm,precip\"\n setenv AERO_12 \"average sr[w/m2],w/m2,SOL_RAD,watts/m2,Solar_Rad\"\n \n#>> End Species List <<#\n\n#> file containing site-id, longitude, latitude, time zone (tab delimited)\n setenv SITE_FILE SEARCH_sites.txt\n\n#> input table containing site-id, time-period, and data fields\n setenv IN_TABLE SEARCH_hourly_data_2005.csv\n```\n\n#### Hourly SEARCH for 2006 to 2010\n```\n# ==================================================================\n#> Runtime Environment Options for Hourly SEARCH \n#\n#> There are four formats of the SEARCH observed hourly data .csv files. \n#> The number of columns and the column names changes across the time \n#> series provided (2001-2004, 2005, 2006-2010, 2011-2014).\n#> As a result the species defintions with the run script for the \n#> sitecmp program need to be changed accordingly.\n# ==================================================================\n\n# ==================================================================\n#> Hourly Species List SEARCH for 2006 to 2010\n# ==================================================================\n\n#> Set TABLE TYPE\n setenv TABLE_TYPE CASTNET\n\n#> Specify the variable names used in your observation inputs\n#> and model output files for each of the species you are analyzing below.\n#>\n#> variable format:\n#> Obs_expression, Obs_units, [Mod_expression], [Mod_unit], [Variable_name]\n#>\n#> The expression is in the form:\n#> [factor1]*Obs_name1 [+][-] [factor2]*Obs_name2 ...\n\n setenv AERO_1 \"Average O3[ppb],ppb,O3,,O3\"\n setenv AERO_2 \"Average CO[ppb],ppb,CO,,CO\"\n setenv AERO_3 \"Average SO2[ppb],ppb,SO2,,SO2\"\n setenv AERO_4 \"Average NO[ppb],ppb,NO,,NO\"\n setenv AERO_5 \"Average NO2[ppb],ppb,NO2,,NO2\"\n setenv AERO_6 \"Average NOy[ppb],ppb,NOY,ppb,NOY\"\n setenv AERO_7 \"Average HNO3[ppb],ppb,HNO3,ppb,HNO3\"\n setenv AERO_8 \"Average NH3[ppb],ug/m3,NH3,,NH3\"\n setenv AERO_9 \"Average OptEC[ug/m3],ug/m3,AECIJ,ug/m3,EC\"\n setenv AERO_10 \"Average OC[ug/m3],ug/m3,AOCIJ,ug/m3,OC\"\n setenv AERO_11 \"Average TC[ug/m3],ug/m3,AECIJ+AOCIJ,ug/m3,TC\"\n setenv AERO_12 \"Average WSP[m/s],m/s,WSPD10,m/s,WSPD10\"\n setenv AERO_13 \"Average WDR[Deg],m/s,WDIR10,m/s,WDIR10\"\n setenv AERO_14 \"Average RH[%],%,RH,%,RH\"\n setenv AERO_15 \"Average TEMP[Deg C],C,SFC_TMP,C,SFC_TMP\"\n setenv AERO_16 \"25.4*Average RAINFALL[Inches],mm,precip,mm,precip\"\n setenv AERO_17 \"Average SR[W/m2],w/m2,SOL_RAD,watts/m2,Solar_Rad\"\n setenv AERO_18 \"Average TEOM[ug/m3],ug/m3,ATOTIJ,,PM_TOT\"\n setenv AERO_19 \"Average NH4[ug/m3],ug/m3,ANH4IJ,,NH4\"\n setenv AERO_20 \"Average SO4[ug/m3],ug/m3,ASO4IJ,,SO4\"\n \n setenv AERO_21 \"Average OptEC[ug/m3],ug/m3,PM25_EC,ug/m3,PM25_EC\"\n setenv AERO_22 \"Average OC[ug/m3],ug/m3,PM25_OC,ug/m3,PM25_OC\"\n setenv AERO_23 \"Average TC[ug/m3],ug/m3,PM25_EC+PM25_OC,ug/m3,PM25_TC\"\n setenv AERO_24 \"Average NH4[ug/m3],ug/m3,PM25_NH4,,PM25_NH4\"\n setenv AERO_25 \"Average NO3[ug/m3],ug/m3,PM25_NO3,,PM25_NO3\"\n setenv AERO_26 \"Average SO4[ug/m3],ug/m3,PM25_SO4,,PM25_SO4\"\n \n#>> End Species List <<#\n\n#> SITE FILE containing site-id, longitude, latitude, time zone (tab delimited)\n#> This file can be downloaded from the CMAS Center Data clearinghouse \n#> under the heading \"2000-2014 North American Air Quality Observation Data\":\n#> https://www.cmascenter.org/download/data.cfm\n#> AQS site file is located in AMET12_SITE_FILES.tar.gz\n setenv SITE_FILE SEARCH_sites.txt\n\n#> input table containing site-id, time-period, and data fields\n setenv IN_TABLE SEARCH_hourly_data_2011.csv\n\n```\n\n#### Hourly SEARCH for 2011 and later\n```\n# ==================================================================\n#> Runtime Environment Options for Hourly SEARCH \n#\n#> There are four formats of the SEARCH observed hourly data .csv files. \n#> The number of columns and the column names changes across the time \n#> series provided (2001-2004, 2005, 2006-2010, 2011-2014).\n#> As a result the species defintions with the run script for the \n#> sitecmp program need to be changed accordingly.\n# ==================================================================\n\n# ==================================================================\n#> Hourly Species List SEARCH for 2011 and later\n# ==================================================================\n\n#> Set TABLE TYPE\n setenv TABLE_TYPE CASTNET\n\n#> Specify the variable names used in your observation inputs\n#> and model output files for each of the species you are analyzing below.\n#>\n#> variable format:\n#> Obs_expression, Obs_units, [Mod_expression], [Mod_unit], [Variable_name]\n#>\n#> The expression is in the form:\n#> [factor1]*Obs_name1 [+][-] [factor2]*Obs_name2 ...\n setenv AERO_1 \"Average O3[ppb],ppb,O3,,O3\"\n setenv AERO_2 \"Average CO[ppb],ppb,CO,,CO\"\n setenv AERO_3 \"Average SO2[ppb],ppb,SO2,,SO2\"\n setenv AERO_4 \"Average NO[ppb],ppb,NO,,NO\"\n setenv AERO_5 \"Average NO2[ppb],ppb,NO2,,NO2\"\n setenv AERO_6 \"Average NOy[ppb],ppb,NOY,ppb,NOY\"\n setenv AERO_7 \"Average HNO3[ppb],ppb,HNO3,ppb,HNO3\"\n setenv AERO_8 \"Average NH3[ppb],ug/m3,NH3,,NH3\"\n setenv AERO_9 \"Average WSP[m/s],m/s,WSPD10,m/s,WSPD10\"\n setenv AERO_10 \"Average WDR[Deg],m/s,WDIR10,m/s,WDIR10\";\n setenv AERO_11 \"Average RH[%],%,RH,%,RH\"\n setenv AERO_12 \"Average TEMP[Deg C],C,SFC_TMP,C,SFC_TMP\"\n setenv AERO_13 \"25.4*Average RAINFALL[Inches],mm,precip,mm,precip\"\n setenv AERO_14 \"Average SR[W/m2],w/m2,SOL_RAD,watts/m2,Solar_Rad\"\n \n#>> End Species List <<#\n\n#> site file containing site-id, longitude, latitude, time zone (tab delimited)\n setenv SITE_FILE SEARCH_sites.txt\n\n#> input table containing site-id, time-period, and data fields\n setenv IN_TABLE SEARCH_hourly_data_2013.csv\n\n\n# =====================================================================\n#> END Options for Hourly SEARCH\n# =====================================================================\n```\n\n### Runtime Environment Options for Daily SEARCH \n#### Daily SEARCH for 2007 and earlier\n```\n# ==================================================================\n#> Runtime Species List Environment Options for Daily SEARCH \n#\n#> There are two formats of the SEARCH observed daily data .csv files. \n#> The number of columns and the column names changes across the time \n#> series provided (2001-2007, 2008-2014).\n#> As a result the species defintions with the run script for the sitecmp \n#> program need to be changed accordingly.\n# ==================================================================\n\n# ==================================================================\n#> Daily SEARCH for 2007 and earlier\n# ==================================================================\n\n#> Set TABLE TYPE\n setenv TABLE_TYPE CASTNET\n\n#> Specify the variable names used in your observation inputs\n#> and model output files for each of the species you are analyzing below.\n#>\n#> variable format:\n#> Obs_expression, Obs_units, [Mod_expression], [Mod_unit], [Variable_name]\n#>\n#> The expression is in the form:\n#> [factor1]*Obs_name1 [+][-] [factor2]*Obs_name2 ...\n setenv AERO_1 \"pcm1 so4,ug/m3,ASO4IJ,ug/m3,SO4\"\n setenv AERO_2 \"pcm1 no3+pcm1 teflon no3,ug/m3,ANO3IJ,ug/m3,NO3\"\n setenv AERO_3 \"pcm1 teflon nh4+pcm1 vol nh4,ug/m3,ANH4IJ,ug/m3,NH4\"\n setenv AERO_4 \"pcm3 ec,ug/m3,AECIJ,ug/m3,EC\"\n setenv AERO_5 \"pcm3 oc,ug/m3,AOCIJ,ug/m3,OC\"\n setenv AERO_6 \"pcm1 mass,ug/m3,ATOTIJ,ug/m3,PM_TOT\"\n \n#>> End Species List <<#\n\n#> file containing site-id, longitude, latitude, time zone (tab delimited)\n setenv SITE_FILE SEARCH_sites.txt\n\n#> input table containing site-id, time-period, and data fields\n#> AQS obs data in the format needed for sitecmp are available \n#> from the CMAS Center Data clearinghouse under the heading \"2000-2014 North American Air Quality Observation Data\":\n#> https://www.cmascenter.org/download/data.cfm\n#> Hourly AQS observations are located in AMET12_OBSDATA_YYYY.tar.gz for year YYYY.\n setenv IN_TABLE SEARCH_daily_data_2007.csv\n```\n\n### Runtime Environment Options for Daily SEARCH \n#### Daily SEARCH for 2008 and later\n```\n# ==================================================================\n#> Runtime Environment Options for Daily SEARCH \n#\n#> There are two formats of the SEARCH observed daily data .csv files. \n#> The number of columns and the column names changes across the time \n#> series provided (2001-2007, 2008-2014).\n#> As a result the species defintions with the run script for the sitecmp \n#> program need to be changed accordingly.\n# ==================================================================\n# ==================================================================\n#> Daily Species List SEARCH for 2008 and later\n# ==================================================================\n\n#> Set TABLE TYPE\n setenv TABLE_TYPE CASTNET\n\n#> Specify the variable names used in your observation inputs\n#> and model output files for each of the species you are analyzing below.\n#>\n#> variable format:\n#> Obs_expression, Obs_units, [Mod_expression], [Mod_unit], [Variable_name]\n#>\n#> The expression is in the form:\n#> [factor1]*Obs_name1 [+][-] [factor2]*Obs_name2 ...\n\n setenv AERO_1 \"PM25_Tef_Sulfate [ug/m3],ug/m3,ASO4IJ,ug/m3,SO4\"\n setenv AERO_2 \"PM25_Tef_Nitrate [ug/m3],ug/m3,ANO3IJ,ug/m3,NO3\"\n setenv AERO_3 \"PM25_Tef_Ammonium [ug/m3],ug/m3,ANH4IJ,ug/m3,NH4\"\n setenv AERO_4 \"PM25_Total_Nitrate [ug/m3],ug/m3,ANO3IJ+HNO3_UGM3,ug/m3,TNO3\"\n setenv AERO_5 \"PM25_Tef_Sodium [ug/m3],ug/m3,ANAIJ,ug/m3,Na\"\n setenv AERO_6 \"OCTC [ug/m3],ug/m3,AOCIJ,ug/m3,OC\"\n setenv AERO_7 \"ECTC [ug/m3],ug/m3,AECIJ,ug/m3,EC\"\n setenv AERO_8 \"FRM PM2.5 Mass [ug/m3],ug/m3,ATOTIJ,ug/m3,PM_TOT\"\n \n setenv AERO_9 \"XRF Al [ug/m3],ug/m3,AALJ,ug/m3,Al\"\n setenv AERO_10 \"XRF Si [ug/m3],ug/m3,ASIJ,ug/m3,Si\"\n setenv AERO_11 \"XRF K [ug/m3],ug/m3,AKJ,ug/m3,K\"\n setenv AERO_12 \"XRF Ca [ug/m3],ug/m3,ACAJ,ug/m3,Ca\"\n setenv AERO_13 \"XRF Ti [ug/m3],ug/m3,ATIJ,ug/m3,Ti\"\n setenv AERO_14 \"XRF Mn [ug/m3],ug/m3,AMNJ,ug/m3,Mn\"\n setenv AERO_15 \"XRF Fe [ug/m3],ug/m3,AFEJ,ug/m3,Fe\"\n \n#>> End Species List <<#\n\n#> file containing site-id, longitude, latitude, time zone (tab delimited)\n setenv SITE_FILE SEARCH_sites.txt\n\n#> input table containing site-id, time-period, and data fields\n setenv IN_TABLE SEARCH_daily_data_2011.csv\n\n\n# =====================================================================\n#> END Options for Daily SEARCH\n# =====================================================================\n```\n \n" }, { "path": "POST/sitecmp/scripts/bldit_sitecmp.csh", "content": "#! /bin/csh -f\n\n# ==================== SITECMPv5.5.X Build Script ===================== #\n# Usage: bldit_sitecmp.csh >&! bldit_sitecmp.log #\n# Requirements: I/O API & netCDF libraries; a Fortran compiler #\n# #\n# To report problems or request help with this script/program: #\n# http://www.cmascenter.org #\n# =================================================================== #\n\n# =======================================================================\n#> Preliminary error checking and environment configuration\n# =======================================================================\n\n#> Check that the host system is Linux-based\n set BLD_OS = `uname -s` \n if ($BLD_OS != 'Linux') then\n echo \" $BLD_OS -> wrong bldit script for host!\"\n exit 1\n endif\n\n#> Set Compiler Identity by User Input: Options -> intel | pgi | gcc\n if ( $#argv == 1 ) then\n setenv compiler $argv[1]\n setenv compilerVrsn Empty\n else if ( $#argv == 2 ) then\n #> Compiler Name and Version have been provided\n setenv compiler $1\n setenv compilerVrsn $2\n\n else\n echo \"usage: $0 \"\n echo \" where is intel, pgi or gcc\"\n exit(2)\n endif\n\n#> Source the config.cmaq file to set the build environment\n cd ../../..\n source ./config_cmaq.csh\n\n#> Source Code Repository\n setenv REPOROOT ${CMAQ_REPO}/POST/sitecmp #> location of the source code for SITECMP\n\n#===============================================================================\n#> Begin User Input Section \n#===============================================================================\n\n#> User choices: working directory and application ID\n set VRSN = v55 #> model version\n set EXEC = sitecmp_${VRSN}.exe #> executable name for this application\n set CFG = sitecmp_${VRSN}.cfg #> BLDMAKE configuration file name\n setenv BLDER ${CMAQ_HOME}/UTIL/bldmake/bldmake_${compilerString}.exe #> location of makefile builder executable \n\n#> user choice: copy source files\n set CopySrc #> copy the source files into the BLD directory\n\n #set MakeFileOnly # builds a Makefile to make the model, but does not compile -\n # comment out to also compile the model (default if not set)\n\n# set CompileBLDMAKE #> Recompile the BLDMAKE utility from source\n #> comment out to use an existing BLDMAKE executable\n set ModDriver = src #> SITECMP Modules\n\n\n#============================================================================================\n#> Computing System Configuration:\n#> Most of these settings are done in config.cmaq\n#============================================================================================\n\n#> Set full path of Fortran 90 compiler\n setenv FC ${myFC}\n set FP = $FC\n\n#> Set IO/API version\n set IOAPI = ioapi_3.1\n\n#> Set compiler flags\n set FSTD = \"${myFSTD}\"\n set DBG = \"${myDBG}\"\n setenv F_FLAGS \"${myFFLAGS}\"\n set F90_FLAGS = \"${myFRFLAGS}\"\n set CPP_FLAGS = \"\" #> Fortran Preprocessor Flags\n set LINK_FLAGS = \"${myLINK_FLAG}\" #> Link Flags\n\n set LIB2 = \"${ioapi_lib}\"\n\n\n#============================================================================================\n#> Set up the sitecmp build directory under the Tools directory\n#> for checking out and compiling source code\n#============================================================================================\n set Bld = ${CMAQ_HOME}/POST/sitecmp/scripts/BLD_sitecmp_${VRSN}_${compilerString}\n\n if ( ! -e \"$Bld\" ) then\n mkdir -pv $Bld\n else\n if ( ! -d \"$Bld\" ) then\n echo \" *** target exists, but not a directory ***\"\n exit 1\n endif\n endif\n\n cd $Bld\n\n#> Check for previous run\n if ( -e \"$Bld/${CFG}\" ) then\n echo \" >>> previous ${CFG} exists, re-naming to ${CFG}.old <<<\"\n mv $Bld/${CFG} $Bld/${CFG}.old\n endif\n\n#============================================================================================\n#> Make the config file\n#============================================================================================\n set Cfile = ${Bld}/$CFG\n set quote = '\"'\n\n echo > $Cfile\n echo \"model $EXEC;\" >> $Cfile\n echo >> $Cfile\n echo \"repo $REPOROOT;\" >> $Cfile\n echo >> $Cfile\n echo \"lib_base ${CMAQ_LIB};\" >> $Cfile\n echo >> $Cfile\n echo \"lib_1 ioapi/lib;\" >> $Cfile\n echo >> $Cfile\n echo \"lib_2 ioapi/include_files;\" >> $Cfile\n echo >> $Cfile\n echo \"lib_3 netcdf/include;\" >> $Cfile\n echo >> $Cfile\n echo \"lib_4 ioapi/lib;\" >> $Cfile\n echo >> $Cfile\n echo \"lib_5 netcdff/include;\" >> $Cfile\n echo >> $Cfile\n set text = \"$quote$CPP_FLAGS$quote;\"\n echo \"cpp_flags $text\" >> $Cfile\n echo >> $Cfile\n echo \"f_compiler $FC;\" >> $Cfile\n echo >> $Cfile\n echo \"fstd $quote$FSTD$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"dbg $quote$DBG$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"f_flags $quote$F_FLAGS$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"f90_flags $quote$F90_FLAGS$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"link_flags $quote$LINK_FLAGS$quote;\" >> $Cfile\n echo >> $Cfile\n#echo \"libraries $quote$LIBS$quote;\" >> $Cfile\n echo \"ioapi $quote$LIB2$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"netcdf $quote$netcdf_lib$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"netcdff $quote$netcdff_lib$quote;\" >> $Cfile\n\n set text = \"sitecmp\"\n echo \"// options are\" $text >> $Cfile\n echo \"Module ${ModDriver};\" >> $Cfile\n echo >> $Cfile\n\n#============================================================================================\n#> Use BLDMAKE to create the Makefile and model executable if desired\n#============================================================================================\n\n unalias mv rm\n\n#> Recompile BLDMAKE from source if requested or if it does not exist\n if ( $?CompileBLDMAKE || ! -f $BLDER ) then\n cd ${CMAQ_REPO}/UTIL/bldmake/scripts\n ./bldit_bldmake.csh\n endif\n \n#> Relocate to the BLD_* directory\n cd $Bld \n\n#> Set serial options for BLDMAKE execution\n set Blder = \"$BLDER -serial -verbose\"\n\n#> Run BLDMAKE Utility\n if ( $?MakeFileOnly ) then\n #> Just create the Makefile\n if ( $?CopySrc ) then\n $Blder -makefo $Cfile\n else\n $Blder -makefo -git_local $Cfile \n endif\n else \n # Also compile the model\n if ( $?CopySrc ) then\n $Blder $Cfile\n else\n $Blder -git_local $Cfile\n endif\n endif\n\n#> Save Makefile with Compiler-dependent name and create symbolic\n#> link back to generic name.\n mv Makefile Makefile.$compilerString\n if ( -e Makefile.$compilerString && -e Makefile ) rm Makefile\n ln -s Makefile.$compilerString Makefile\n\n#> Check for error during makefile generation\n if ( $status != 0 ) then\n echo \" *** failure in $Blder ***\"\n exit 1\n endif\n\n exit\n" }, { "path": "POST/sitecmp/scripts/run_sitecmp_AQS_Daily.csh", "content": "#! /bin/csh -f\n\n# ===================== SITECMP_v5.5.X Run Script =====================\n# Usage: run_sitecmp_AQS_Daily.csh >&! sitecmp_AQS_Daily.log &\n#\n# To report problems or request help with this script/program:\n# http://www.epa.gov/cmaq (EPA CMAQ Website)\n# http://www.cmascenter.org\n# ===================================================================\n\n# ==================================================================\n#> Runtime Environment Options\n# ==================================================================\n\n#> Choose compiler and set up CMAQ environment with correct \n#> libraries using config.cmaq. Options: intel | gcc | pgi\n setenv compiler intel \n\n cd ../../..\n source ./config_cmaq.csh\n\n#> Set General Parameters for Configuring the Simulation\n set VRSN = v55 #> Code Version\n set PROC = mpi #> serial or mpi\n set MECH = cb6r3_ae7_aq #> Mechanism ID\n set APPL = Bench_2016_12SE1 #> Application Name (e.g. Gridname)\n \n#> Define RUNID as any combination of parameters above or others. By default,\n#> this information will be collected into this one string, $RUNID, for easy\n#> referencing in output binaries and log files as well as in other scripts.\n set RUNID = ${VRSN}_${compilerString}_${APPL}\n\n#> Set the build directory if this was not set above \n#> (this is where the executable is located by default).\n if ( ! $?BINDIR ) then\n set BINDIR = ${CMAQ_HOME}/POST/sitecmp/scripts/BLD_sitecmp_${VRSN}_${compilerString}\n endif\n\n#> Set the name of the executable.\n set EXEC = sitecmp_${VRSN}.exe\n\n#> Set output directory\n set POSTDIR = ${CMAQ_DATA}/POST #> Location where sitecmp file will be written\n\n if ( ! -e $POSTDIR ) then\n\t mkdir $POSTDIR\n endif\n\n# =====================================================================\n#> SITECMP Configuration Options\n# =====================================================================\n\n# ~~~~~~~~~~~~ START NETWORK SPECIFIC SECTION ~~~~~~~~~~~~~~~~~~~~~~~~~\n#> The following environment variables will change depending on what \n#> observation network is being matched with CMAQ output.\n#> See the README.md file in this folder for the settings to use for \n#> the following networks: IMPROVE, CASTNET, CSN (formally STN), NADP\n#> SEARCH, AIRMON\n\n#> Set TABLE TYPE\n setenv TABLE_TYPE CASTNET\n\n#> Specify the variable names used in your observation inputs\n#> and model output files for each of the species you are analyzing below.\n#>\n#> variable format:\n#> Obs_expression, Obs_units, [Mod_expression], [Mod_unit], [Variable_name]\n#>\n#> The expression is in the form:\n#> [factor1]*Obs_name1 [+][-] [factor2]*Obs_name2 ...\n setenv AERO_1 \"PM25,ug/m3,ATOTIJ,ug/m3,PM_TOT\" # PM2.5 Total Mass\n setenv AERO_2 \"PM25,ug/m3,PMIJ_FRM,ug/m3,PM_FRM\" # PM2.5 Total Mass (I+J with FRM adjustment)\n setenv AERO_3 \"PM10,ug/m3,ATOTIJK,ug/m3,PM10\" # PM10 Total Mass\n setenv AERO_4 \"Isoprene,ppb,ISOP,ppb,Isoprene\" # Isoprene\n setenv AERO_5 \"Ethylene,ppb,ETH,ppb,Ethylene\" # Ethene (Ethylene)\n setenv AERO_6 \"Ethane,ppb,ETHA,ppb,Ethane\" # Ethane\n setenv AERO_7 \"Toluene,ppb,TOL,ppb,Toluene\" # Toluene\n setenv AERO_8 \"Acetaldehyde,ppb,ALD2,ppb,Acetaldehyde\" # Acetaldehyde\n setenv AERO_9 \"Formaldehyde,ppb,FORM,ppb,Formaldehyde\" # Formaldehyde\n setenv AERO_10 \"OC+OC_Blank,ug/m3,AOCIJ,ug/m3,OC\" # OC blank adjusted Mass\n setenv AERO_11 \"EC,ug/m3,AECIJ,ug/m3,EC\" # EC Mass\n setenv AERO_12 \"OC+OC_Blank+EC,ug/m3,AOCIJ+AECIJ,,TC\" # Total Carbon\n setenv AERO_13 \"Na,ug/m3, ANAIJ,,Na\" # sodium\n setenv AERO_14 \"Cl,ug/m3, ACLIJ,,Cl\" # chlorine\n setenv AERO_15 \"Na+Cl,ug/m3,ACLIJ+ANAIJ,,NaCl\" # sodium chloride\n setenv AERO_16 \"SO4,ug/m3,ASO4IJ,ug/m3,SO4\" # PM2.5 Total Mass \n setenv AERO_17 \"NO3,ug/m3,ANO3IJ,ug/m3,NO3\" # PM2.5 Total Mass\n setenv AERO_18 \"NH4,ug/m3,ANH4IJ,ug/m3,NH4\" # PM2.5 Total Mass\n \n#> PM2.5 Sharp Cutoff Species\n#> Requires preprocessing using setenv CCTM_AELMO file\n setenv AERO_19 \"PM25,ug/m3,PM25_TOT,ug/m3,PM25_TOT\" # PM2.5 Total Mass with sharp cutoff\n setenv AERO_20 \"PM25,ug/m3,PM25_FRM,,PM25_FRM\" # PM2.5 Total Mass (cutoff with FRM adjustment)\n setenv AERO_21 \"SO4,ug/m3, PM25_SO4,,PM25_SO4\" # sulfate (sharp cutoff)\n setenv AERO_22 \"NO3,ug/m3, PM25_NO3,,PM25_NO3\" # nitrate (sharp cutoff)\n setenv AERO_23 \"NH4,ug/m3, PM25_NH4,,PM25_NH4\" # ammonium (sharp cutoff)\n setenv AERO_24 \"OC+OC_Blank,ug/m3, PM25_OC,,PM25_OC\" # Organic Carbon (sharp cutoff)\n setenv AERO_25 \"EC,ug/m3, PM25_EC,,PM25_EC\" # Elemental Carbon (sharp cutoff)\n setenv AERO_26 \"OC+OC_Blank+EC,ug/m3,PM25_OC+PM25_EC,,PM25_TC\" # Total Carbon (sharp cutoff)\n \n #> setenv AERO6 species\n #> note we use Sodium Ion instead of sodium (XRF) becasue XRF is not reliable for sodium\n #> all other elemental concentrations (including Cl and K) come from XRF\n setenv AERO_27 \"Fe,ug/m3, AFEJ,,Fe\" # iron\n setenv AERO_28 \"Al,ug/m3,AALJ,,Al\" # aluminum \n setenv AERO_29 \"Si,ug/m3, ASIJ,,Si\" # silicon\n setenv AERO_30 \"Ti,ug/m3, ATIJ,,Ti\" # titanium\n setenv AERO_31 \"Ca,ug/m3,ACAJ,,Ca\" # calcium\n setenv AERO_32 \"Mg,ug/m3,AMGJ,,Mg\" # magnesium\n setenv AERO_33 \"K,ug/m3,AKJ,,K\" # potassium\n setenv AERO_34 \"Mg,ug/m3,AMNJ,,Mn\" # manganese\n setenv AERO_35 \"2.2*Al+2.49*Si+1.63*Ca+2.42*Fe+1.94*Ti,ug/m3,ASOILJ,,soil\" \n setenv AERO_36 \"PM25-SO4-NO3-NH4-OC-EC-[Na]-[Cl]-2.2*Al-2.49*Si-1.63*Ca-2.42*Fe-1.94*Ti , ug/m3, AUNSPEC1IJ,,OTHER\" # PM Other\n setenv AERO_37 \"0.8*OC,ug/m3, ANCOMIJ,,NCOM\" # PM Other\n setenv AERO_38 \"PM25-SO4-NO3-NH4-OC-EC-[Na]-[Cl]-2.2*Al-2.49*Si-1.63*Ca-2.42*Fe-1.94*Ti-0.8*OC,ug/m3, AUNSPEC2IJ,,OTHER_REM\" # PM Other no NCOM\n\n#>> End Species List <<#\n\n# ~~~~~~~~~~~~ END NETWORK SPECIFIC SECTION ~~~~~~~~~~~~~~~~~~~~~~~~~\n\n#> define time window\n set SDATE = \"2016-07-01\" #> beginning date (July 1, 2016)\n set EDATE = \"2016-07-14\" #> ending date (July 14, 2016)\n setenv START_TIME 0 \n setenv END_TIME 230000 \n\n#> Convert SDATE and EDATE to Julian day.\n#> (required format for sitecmp START_DATE and END_DATE environment variables)\n setenv START_DATE `date -ud \"${SDATE}\" +%Y%j`\n setenv END_DATE `date -ud \"${EDATE}\" +%Y%j` \n\n#> define the PRECIP variable\n setenv PRECIP RT\n\n#> adjust for daylight savings\n setenv APPLY_DLS N\n\n#> set missing value string\n setenv MISSING '-999'\n\n#> Projection sphere type (use type 20 to match WRF/CMAQ)\n setenv IOAPI_ISPH 20\n\n#> Number of hours to add when retrieving time steps from M3_FILE_n files during processing.\n#> This should only be non-zero if the M3_FILE_n files were pre-processed with a utility like m3tshift (default 0).\n setenv TIME_SHIFT 0\n\n#############################################################\n# Input files\n#############################################################\n\n#> ioapi input files containing VNAMES (max of 10)\n setenv M3_FILE_1 ${CMAQ_DATA}/POST/COMBINE_ACONC_${RUNID}_201607.nc\n #[Add location of input file, e.g. COMBINE_ACONC file.]\n\n#> SITE FILE containing site-id, longitude, latitude, and optionally \n#> GMT offset, state, county, and elevation (csv format)\n#> The column headings for the required variables need to be \n#> stat_id, lon, and lat (case insensitive)\n#> The column headings for the optional variables need to be\n#> gmt_offset, state, county, and elevation (case insensitive)\n#> See the README.md file in this folder for the information on \n#> where to download this file.\n setenv SITE_FILE AQS_full_site_list.csv\n#> On EPA system:\n# setenv SITE_FILE /work/MOD3EVAL/aq_obs/routine/site_metadata_files/AQS_full_site_list.csv\n\n#> input table containing site-id, time-period, and data fields\n#> AQS obs data in the format needed for sitecmp are available online. \n#> See the README.md file in this folder for the information on \n#> where to download this file.\n#> Hourly AQS observations are located in AMET12_OBSDATA_YYYY.tar.gz for year YYYY.\n setenv IN_TABLE AQS_daily_data_2016.csv\n#> One EPA system:\n# setenv IN_TABLE /work/MOD3EVAL/aq_obs/routine/2016/AQS_daily_data_2016.csv\n\n#############################################################\n# Output files\n#############################################################\n\n#> output table (comma delimited text file importable to Excel)\n setenv OUT_TABLE ${POSTDIR}/AQS_Daily_CMAQ_${RUNID}_201607.csv\n\n#> Executable call:\n ${BINDIR}/${EXEC}\n\n set progstat = ${status}\n if ( ${progstat} ) then\n echo \"ERROR ${progstat} in $BINDIR/$EXEC\"\n exit( ${progstat} )\n endif\n \n exit()\n" }, { "path": "POST/sitecmp/scripts/run_sitecmp_AQS_Hourly.csh", "content": "#! /bin/csh -f\n\n# ===================== SITECMP_v5.5.X Run Script =====================\n# Usage: run_sitecmp_AQS_Hourly.csh >&! sitecmp_AQS_Hourly.log &\n#\n# To report problems or request help with this script/program:\n# http://www.epa.gov/cmaq (EPA CMAQ Website)\n# http://www.cmascenter.org\n# ===================================================================\n\n# ==================================================================\n#> Runtime Environment Options\n# ==================================================================\n\n#> Choose compiler and set up CMAQ environment with correct \n#> libraries using config.cmaq. Options: intel | gcc | pgi\n setenv compiler intel \n\n cd ../../..\n source ./config_cmaq.csh\n\n#> Set General Parameters for Configuring the Simulation\n set VRSN = v55 #> Code Version\n set PROC = mpi #> serial or mpi\n set MECH = cb6r3_ae7_aq #> Mechanism ID\n set APPL = Bench_2016_12SE1 #> Application Name (e.g. Gridname)\n \n#> Define RUNID as any combination of parameters above or others. By default,\n#> this information will be collected into this one string, $RUNID, for easy\n#> referencing in output binaries and log files as well as in other scripts.\n set RUNID = ${VRSN}_${compilerString}_${APPL}\n\n#> Set the build directory if this was not set above \n#> (this is where the executable is located by default).\n if ( ! $?BINDIR ) then\n set BINDIR = ${CMAQ_HOME}/POST/sitecmp/scripts/BLD_sitecmp_${VRSN}_${compilerString}\n endif\n\n#> Set the name of the executable.\n set EXEC = sitecmp_${VRSN}.exe\n\n#> Set output directory\n set POSTDIR = ${CMAQ_DATA}/POST #> Location where sitecmp file will be written\n\n if ( ! -e $POSTDIR ) then\n\t mkdir $POSTDIR\n endif\n\n# =====================================================================\n#> SITECMP Configuration Options\n# =====================================================================\n\n# ~~~~~~~~~~~~ START NETWORK SPECIFIC SECTION ~~~~~~~~~~~~~~~~~~~~~~~~~\n#> The following environment variables will change depending on what \n#> observation network is being matched with CMAQ output.\n#> This sample run script is set up for hourly data from AQS.\n#> See the README.md file in this folder for the settings to use for \n#> the following networks: IMPROVE, CASTNET, CSN (formally STN), NADP\n#> SEARCH, AIRMON\n\n#> Set TABLE TYPE\n setenv TABLE_TYPE CASTNET\n\n#> Specify the variable names used in your observation inputs\n#> and model output files for each of the species you are analyzing below.\n#>\n#> variable format:\n#> Obs_expression, Obs_units, [Mod_expression], [Mod_unit], [Variable_name]\n#>\n#> The expression is in the form:\n#> [factor1]*Obs_name1 [+][-] [factor2]*Obs_name2 ...\n setenv GAS_1 \"O3,ppb,O3,ppb,O3\" \n setenv GAS_2 \"NO,ppb,NO,ppb,NO\" \n setenv GAS_3 \"NOY,ppb,NOY,ppb,NOY\" \n setenv GAS_4 \"NO2,ppb,NO2,ppb,NO2\" \n setenv GAS_5 \"NOX,ppb,NO+NO2,ppb,NOX\" \n setenv GAS_6 \"CO,ppb,CO,ppb,CO\" \n setenv GAS_7 \"SO2,ppb,SO2,ppb,SO2\" \n setenv GAS_8 \"PM25,ug/m3,ATOTIJ,ug/m3,PM_TOT\" \n setenv GAS_9 \"PM25,ug/m3,PMIJ_FRM,ug/m3,PM_FRM\" \n setenv GAS_10 \"PM10,ug/m3,PM10,ug/m3,PM10\" \n setenv GAS_11 \"Isoprene,ppb,ISOP,ppb,Isoprene\" \n setenv GAS_12 \"Ethylene,ppb,ETH,ppb,Ethylene\" \n setenv GAS_13 \"Ethane,ppb,ETHA,ppb,Ethane\" \n setenv GAS_14 \"Toluene,ppb,TOL,ppb,Toluene\" \n setenv GAS_15 \"Temperature,C,SFC_TMP,C,SFC_TMP\" \n setenv GAS_16 \"RH,%,RH,%,RH\" \n setenv GAS_17 \"Wind_Speed,m/s,WSPD10,m/s,WSPD10\"\n setenv GAS_18 \",,PBLH,m,PBLH\" \n setenv GAS_19 \",,SOL_RAD,watts/m2,Solar_Rad\" \n setenv GAS_20 \",,10*precip,mm/hr,precip\" \n \n#> PM2.5 Sharp Cutoff Species\n#> Requires preprocessing using CCTM_AELMO file\n setenv GAS_21 \"PM25,ug/m3,PM25_TOT,ug/m3,PM25_TOT\"\n setenv GAS_22 \"PM25,ug/m3,PM25_FRM,,PM25_FRM\" \n#>> End Species List <<#\n\n# ~~~~~~~~~~~~ END NETWORK SPECIFIC SECTION ~~~~~~~~~~~~~~~~~~~~~~~~~\n\n#> define time window\n set SDATE = \"2016-07-01\" #> beginning date (July 1, 2016)\n set EDATE = \"2016-07-14\" #> ending date (July 14, 2016)\n setenv START_TIME 0 \n setenv END_TIME 230000 \n\n#> Convert SDATE and EDATE to Julian day.\n#> (required format for sitecmp START_DATE and END_DATE environment variables)\n setenv START_DATE `date -ud \"${SDATE}\" +%Y%j`\n setenv END_DATE `date -ud \"${EDATE}\" +%Y%j` \n\n#> define the PRECIP variable\n setenv PRECIP RT\n\n#> adjust for daylight savings\n setenv APPLY_DLS N\n\n#> set missing value string\n setenv MISSING '-999'\n\n#> Projection sphere type (use type 20 to match WRF/CMAQ)\n setenv IOAPI_ISPH 20\n\n#> Number of hours to add when retrieving time steps from M3_FILE_n files during processing.\n#> This should only be non-zero if the M3_FILE_n files were pre-processed with a utility like m3tshift (default 0).\n setenv TIME_SHIFT 0\n\n#############################################################\n# Input files\n#############################################################\n\n#> ioapi input files containing VNAMES (max of 10)\n setenv M3_FILE_1 ${CMAQ_DATA}/POST/COMBINE_ACONC_${RUNID}_201607.nc\n #[Add location of input file, e.g. COMBINE_ACONC file.]\n\n#> SITE FILE containing site-id, longitude, latitude, and optionally \n#> GMT offset, state, county, and elevation (csv format)\n#> The column headings for the required variables need to be \n#> stat_id, lon, and lat (case insensitive)\n#> The column headings for the optional variables need to be\n#> gmt_offset, state, county, and elevation (case insensitive)\n#> See the README.md file in this folder for the information on \n#> where to download this file.\n setenv SITE_FILE AQS_full_site_list.csv\n#> On EPA system:\n# setenv SITE_FILE /work/MOD3EVAL/aq_obs/routine/site_metadata_files/AQS_full_site_list.csv\n\n#> input table containing site-id, time-period, and data fields\n#> AQS obs data in the format needed for sitecmp are available online.\n#> See the README.md file in this folder for the information on \n#> where to download this file.\n setenv IN_TABLE AQS_hourly_data_2016.csv\n#> One EPA system:\n# setenv IN_TABLE /work/MOD3EVAL/aq_obs/routine/2016/AQS_hourly_data_2016.csv\n\n\n#############################################################\n# Output files\n#############################################################\n\n#> output table (comma delimited text file importable to Excel)\n setenv OUT_TABLE ${POSTDIR}/AQS_Hourly_CMAQ_${RUNID}_201607.csv\n\n#> Executable call:\n ${BINDIR}/${EXEC}\n\n set progstat = ${status}\n if ( ${progstat} ) then\n echo \"ERROR ${progstat} in $BINDIR/$EXEC\"\n exit( ${progstat} )\n endif\n \n exit()\n" }, { "path": "POST/sitecmp/scripts/run_sitecmp_CSN.csh", "content": "#! /bin/csh -f\n\n# ===================== SITECMP_v5.5.X Run Script =====================\n# Usage: run_sitecmp_CSN.csh >&! sitecmp_CSN.log &\n#\n# To report problems or request help with this script/program:\n# http://www.epa.gov/cmaq (EPA CMAQ Website)\n# http://www.cmascenter.org\n# ===================================================================\n\n# ==================================================================\n#> Runtime Environment Options\n# ==================================================================\n\n#> Choose compiler and set up CMAQ environment with correct \n#> libraries using config.cmaq. Options: intel | gcc | pgi\n setenv compiler intel \n\n cd ../../..\n source ./config_cmaq.csh\n\n#> Set General Parameters for Configuring the Simulation\n set VRSN = v55 #> Code Version\n set PROC = mpi #> serial or mpi\n set MECH = cb6r3_ae7_aq #> Mechanism ID\n set APPL = Bench_2016_12SE1 #> Application Name (e.g. Gridname)\n \n#> Define RUNID as any combination of parameters above or others. By default,\n#> this information will be collected into this one string, $RUNID, for easy\n#> referencing in output binaries and log files as well as in other scripts.\n set RUNID = ${VRSN}_${compilerString}_${APPL}\n\n#> Set the build directory if this was not set above \n#> (this is where the executable is located by default).\n if ( ! $?BINDIR ) then\n set BINDIR = ${CMAQ_HOME}/POST/sitecmp/scripts/BLD_sitecmp_${VRSN}_${compilerString}\n endif\n\n#> Set the name of the executable.\n set EXEC = sitecmp_${VRSN}.exe\n\n#> Set output directory\n set POSTDIR = ${CMAQ_DATA}/POST #> Location where sitecmp file will be written\n\n if ( ! -e $POSTDIR ) then\n\t mkdir $POSTDIR\n endif\n\n# =====================================================================\n#> SITECMP Configuration Options\n# =====================================================================\n\n# ~~~~~~~~~~~~ START NETWORK SPECIFIC SECTION ~~~~~~~~~~~~~~~~~~~~~~~~~\n#> The following environment variables will change depending on what \n#> observation network is being matched with CMAQ output.\n#> See the README.md file in this folder for the settings to use for \n#> the following networks: IMPROVE, CASTNET, CSN (formally STN), NADP\n#> SEARCH, AIRMON\n\n#> Set TABLE TYPE\n setenv TABLE_TYPE CASTNET\n\n#> Specify the variable names used in your observation inputs\n#> and model output files for each of the species you are analyzing below.\n#>\n#> variable format:\n#> Obs_expression, Obs_units, [Mod_expression], [Mod_unit], [Variable_name]\n#>\n#> The expression is in the form:\n#> [factor1]*Obs_name1 [+][-] [factor2]*Obs_name2 ...\n setenv AERO_1 \"SO4,ug/m3, ASO4IJ,,SO4\" # sulfate\n setenv AERO_2 \"NO3,ug/m3, ANO3IJ,,NO3\" # nitrate\n setenv AERO_3 \"NH4,ug/m3, ANH4IJ,,NH4\" # ammonium\n setenv AERO_4 \"PM25,ug/m3,ATOTIJ,,PM_TOT\" # PM2.5\n setenv AERO_5 \"PM25,ug/m3,PMIJ_FRM,,PM_FRM\" # FRM Equivalent PM2.5\n setenv AERO_6 \"88320,ug/m3, AOCIJ,,OC\" # Organic Carbon\n setenv AERO_7 \"88321,ug/m3, AECIJ,,EC\" # Elemental Carbon\n setenv AERO_8 \"88320+88321,ug/m3,AOCIJ+AECIJ,,TC\" # Total Carbon\n \n #> PM2.5 Sharp Cutoff Species\n #> Requires preprocessing using setenv CCTM_AELMO file\n setenv AERO_9 \"SO4,ug/m3, PM25_SO4,,PM25_SO4\" # sulfate (sharp cutoff)\n setenv AERO_10 \"NO3,ug/m3, PM25_NO3,,PM25_NO3\" # nitrate (sharp cutoff)\n setenv AERO_11 \"NH4,ug/m3, PM25_NH4,,PM25_NH4\" # ammonium (sharp cutoff)\n setenv AERO_12 \"88320,ug/m3, PM25_OC,,PM25_OC\" # Organic Carbon (sharp cutoff)\n setenv AERO_13 \"88321,ug/m3, PM25_EC,,PM25_EC\" # Elemental Carbon (sharp cutoff)\n setenv AERO_14 \"88320+88321,ug/m3,PM25_OC+PM25_EC,,PM25_TC\" # Total Carbon (sharp cutoff)\n setenv AERO_15 \"PM25,ug/m3,PM25_TOT,ug/m3,PM25_TOT\" # Total PM2.5 (sharp cutoff)\n setenv AERO_16 \"PM25,ug/m3,PM25_FRM,ug/m3,PM25_FRM\" # FRM Equivalent PM2.5 (sharp cutoff)\n\n#> setenv AERO6 species\n#> note we use Sodium Ion instead of sodium (XRF) becasue XRF is not reliable for sodium\n#> all other elemental concentrations (including Cl and K) come from XRF\n setenv AERO_17 \"Na,ug/m3, ANAIJ,,Na\" # sodium\n setenv AERO_18 \"Cl,ug/m3, ACLIJ,,Cl\" # chlorine\n setenv AERO_19 \"Fe,ug/m3, AFEJ,,Fe\" # iron\n setenv AERO_20 \"Al,ug/m3,AALJ,,Al\" # aluminum\n setenv AERO_21 \"Si,ug/m3, ASIJ,,Si\" # silicon\n setenv AERO_22 \"Ti,ug/m3, ATIJ,,Ti\" # titanium\n setenv AERO_23 \"Ca,ug/m3,ACAJ,,Ca\" # calcium\n setenv AERO_24 \"Mg,ug/m3,AMGJ,,Mg\" # magnesium\n setenv AERO_25 \"K,ug/m3,AKJ,,K\" # potassium\n setenv AERO_26 \"Mn,ug/m3,AMNJ,,Mn\" # manganese\n setenv AERO_27 \"2.2*Al+2.49*Si+1.63*Ca+2.42*Fe+1.94*Ti,ug/m3,ASOILJ,,soil\" # SOIL_OLD\n setenv AERO_28 \"Na + Cl, ug/m3, ANAIJ+ACLIJ,,NaCl\" # NaCl\n setenv AERO_29 \"PM25-SO4-NO3-NH4-88320-88321-[Na]-[Cl]-2.2*Al-2.49*Si-1.63*Ca-2.42*Fe-1.94*Ti , ug/m3, AUNSPEC1IJ,,OTHER\" # PM Other\n setenv AERO_30 \"0.8*88320,ug/m3, ANCOMIJ,,NCOM\" # PM Other\n setenv AERO_31 \"PM25-SO4-NO3-NH4-88320-88321-[Na]-[Cl]-2.2*Al-2.49*Si-1.63*Ca-2.42*Fe-1.94*Ti-0.8*88320,ug/m3, AUNSPEC2IJ,,OTHER_REM\" # PM Other no NCOM\n \n#>> End Species List <<#\n\n# ~~~~~~~~~~~~ END NETWORK SPECIFIC SECTION ~~~~~~~~~~~~~~~~~~~~~~~~~\n\n#> define time window\n set SDATE = \"2016-07-01\" #> beginning date (July 1, 2016)\n set EDATE = \"2016-07-14\" #> ending date (July 14, 2016)\n setenv START_TIME 0 \n setenv END_TIME 230000 \n\n#> Convert SDATE and EDATE to Julian day.\n#> (required format for sitecmp START_DATE and END_DATE environment variables)\n setenv START_DATE `date -ud \"${SDATE}\" +%Y%j`\n setenv END_DATE `date -ud \"${EDATE}\" +%Y%j` \n\n#> define the PRECIP variable\n setenv PRECIP RT\n\n#> adjust for daylight savings\n setenv APPLY_DLS N\n\n#> set missing value string\n setenv MISSING '-999'\n\n#> Projection sphere type (use type 20 to match WRF/CMAQ)\n setenv IOAPI_ISPH 20\n\n#> Number of hours to add when retrieving time steps from M3_FILE_n files during processing.\n#> This should only be non-zero if the M3_FILE_n files were pre-processed with a utility like m3tshift (default 0).\n setenv TIME_SHIFT 0\n\n#############################################################\n# Input files\n#############################################################\n\n#> ioapi input files containing VNAMES (max of 10)\n setenv M3_FILE_1 ${CMAQ_DATA}/POST/COMBINE_ACONC_${RUNID}_201607.nc\n #[Add location of input file, e.g. COMBINE_ACONC file.]\n\n#> SITE FILE containing site-id, longitude, latitude, and optionally \n#> GMT offset, state, county, and elevation (csv format)\n#> The column headings for the required variables need to be \n#> stat_id, lon, and lat (case insensitive)\n#> The column headings for the optional variables need to be\n#> gmt_offset, state, county, and elevation (case insensitive)\n#> See the README.md file in this folder for the information on \n#> where to download this file.\n setenv SITE_FILE AQS_full_site_list.csv\n#> On EPA system:\n# setenv SITE_FILE /work/MOD3EVAL/aq_obs/routine/site_metadata_files/AQS_full_site_list.csv\n\n#> input table containing site-id, time-period, and data fields\n#> AQS obs data in the format needed for sitecmp are available online.\n#> See the README.md file in this folder for the information on \n#> where to download this file.\n setenv IN_TABLE AQS_CSN_data_2016.csv\n#> One EPA system:\n# setenv IN_TABLE /work/MOD3EVAL/aq_obs/routine/2016/AQS_CSN_data_2016.csv\n\n#############################################################\n# Output files\n#############################################################\n\n#> output table (comma delimited text file importable to Excel)\n setenv OUT_TABLE ${POSTDIR}/CSN_CMAQ_${RUNID}_201607.csv\n\n#> Executable call:\n ${BINDIR}/${EXEC}\n\n set progstat = ${status}\n if ( ${progstat} ) then\n echo \"ERROR ${progstat} in $BINDIR/$EXEC\"\n exit( ${progstat} )\n endif\n \n exit()\n" }, { "path": "POST/sitecmp/scripts/run_sitecmp_IMPROVE.csh", "content": "#! /bin/csh -f\n\n# ===================== SITECMP_v5.5.X Run Script =====================\n# Usage: run_sitecmp_IMPROVE.csh >&! sitecmp_IMPROVE.log &\n#\n# To report problems or request help with this script/program:\n# http://www.epa.gov/cmaq (EPA CMAQ Website)\n# http://www.cmascenter.org\n# ===================================================================\n\n# ==================================================================\n#> Runtime Environment Options\n# ==================================================================\n\n#> Choose compiler and set up CMAQ environment with correct \n#> libraries using config.cmaq. Options: intel | gcc | pgi\n setenv compiler intel \n\n cd ../../..\n source ./config_cmaq.csh\n\n#> Set General Parameters for Configuring the Simulation\n set VRSN = v55 #> Code Version\n set PROC = mpi #> serial or mpi\n set MECH = cb6r3_ae7_aq #> Mechanism ID\n set APPL = Bench_2016_12SE1 #> Application Name (e.g. Gridname)\n \n#> Define RUNID as any combination of parameters above or others. By default,\n#> this information will be collected into this one string, $RUNID, for easy\n#> referencing in output binaries and log files as well as in other scripts.\n set RUNID = ${VRSN}_${compilerString}_${APPL}\n\n#> Set the build directory if this was not set above \n#> (this is where the executable is located by default).\n if ( ! $?BINDIR ) then\n set BINDIR = ${CMAQ_HOME}/POST/sitecmp/scripts/BLD_sitecmp_${VRSN}_${compilerString}\n endif\n\n#> Set the name of the executable.\n set EXEC = sitecmp_${VRSN}.exe\n\n#> Set output directory\n set POSTDIR = ${CMAQ_DATA}/POST #> Location where sitecmp file will be written\n\n if ( ! -e $POSTDIR ) then\n\t mkdir $POSTDIR\n endif\n\n# =====================================================================\n#> SITECMP Configuration Options\n# =====================================================================\n\n# ~~~~~~~~~~~~ START NETWORK SPECIFIC SECTION ~~~~~~~~~~~~~~~~~~~~~~~~~\n#> The following environment variables will change depending on what \n#> observation network is being matched with CMAQ output.\n#> See the README.md file in this folder for the settings to use for \n#> the following networks: IMPROVE, CASTNET, CSN (formally STN), NADP\n#> SEARCH, AIRMON\n\n#> Set TABLE TYPE\n setenv TABLE_TYPE IMPROVE\n\n#> Specify the variable names used in your observation inputs\n#> and model output files for each of the species you are analyzing below.\n#>\n#> variable format:\n#> Obs_expression, Obs_units, [Mod_expression], [Mod_unit], [Variable_name]\n#>\n#> The expression is in the form:\n#> [factor1]*Obs_name1 [+][-] [factor2]*Obs_name2 ...\n setenv AERO_1 \"SO4f_val,ug/m3,ASO4IJ,,SO4\" # sulfate\n setenv AERO_2 \"NO3f_val,ug/m3,ANO3IJ,,NO3\" # nitrate\n setenv AERO_3 \"0.2903*NO3f_val+0.375*SO4f_val,ug/m3,ANH4IJ,,NH4\" # ammonium (estimated assuming fully neutralized SO4 and NO3)\n setenv AERO_4 \"MF_val,ug/m3,ATOTIJ,ug/m3,PM_TOT\" # Total PM2.5 mass \n setenv AERO_5 \"OCf_val,ug/m3,AOCIJ,,OC\" # Organic Carbon\n setenv AERO_6 \"ECf_val,ug/m3,AECIJ,,EC\" # Elemental Carbon\n setenv AERO_7 \"OCf_val+ECf_val,ug/m3,AOCIJ+AECIJ,,TC\" # Total Carbon\n setenv AERO_8 \"CHLf_val,ug/m3,ACLIJ,ug/m3,Cl\" # CL Ion\n setenv AERO_9 \"MT_val,ug/m3,ATOTIJK,ug/m3,PM10\" # PM10\n setenv AERO_10 \"CM_calculated_val,ug/m3,ATOTK,ug/m3,PMC_TOT\" # PM Course\n\n#> PM2.5 Sharp Cutoff Species\n#> Requires preprocessing using setenv CCTM_AELMO file\n setenv AERO_11 \"SO4f_val,ug/m3,PM25_SO4,,PM25_SO4\" \t# sulfate (< 2.5um)\n setenv AERO_12 \"NO3f_val,ug/m3,PM25_NO3,,PM25_NO3\" \t# nitrate (< 2.5um)\n setenv AERO_13 \"0.2903*NO3f_val+0.375*SO4f_val,ug/m3,PM25_NH4,,PM25_NH4\"\t# ammonium (< 2.5um)\n setenv AERO_14 \"OCf_val,ug/m3,PM25_OC,,PM25_OC\" \t# Organic Carbon (< 2.5um)\n setenv AERO_15 \"ECf_val,ug/m3,PM25_EC,,PM25_EC\" \t# Elemental Carbon (< 2.5um)\n setenv AERO_16 \"OCf_val+ECf_val,ug/m3,PM25_OC+PM25_EC,,PM25_TC\" \t# Total Carbon (< 2.5um)\n setenv AERO_17 \"MF_val,ug/m3,PM25_TOT,ug/m3,PM25_TOT\" \t# Total PM2.5 mass (< 2.5um)\n setenv AERO_18 \"CHLf_val,ug/m3,PM25_CL,ug/m3,PM25_Cl\" \t# CL Ion (< 2.5um)\n setenv AERO_19 \"CM_calculated_val,ug/m3,PMC_TOT,ug/m3,PMC_TOT_CUT\" # PM Course\n\n#> new AE6 species\n#> note: we use XRF sodium because there is not IC sodium mesaurement\n#> we use IC measurement for chlorid (CHLf_val) instead of XRF chlroine (CLf_Val)\n setenv AERO_20 \"NAf_val,ug/m3, ANAIJ,,Na\" # sodium\n setenv AERO_21 \"NAf_val + CHLf_val,ug/m3,ACLIJ + ANAIJ,,NaCl\" # sodium chloride\n setenv AERO_22 \"FEf_val,ug/m3, AFEJ,,Fe\" # iron\n setenv AERO_23 \"ALf_val,ug/m3,AALJ,,Al\" # aluminum \n setenv AERO_24 \"SIf_val,ug/m3, ASIJ,,Si\" # silicon\n setenv AERO_25 \"TIf_val,ug/m3, ATIJ,,Ti\" # titanium\n setenv AERO_26 \"CAf_val,ug/m3,ACAJ,,Ca\" # calcium\n setenv AERO_27 \"MGf_val,ug/m3,AMGJ,,Mg\" # magnesium\n setenv AERO_28 \"Kf_val,ug/m3,AKJ,,K\" # potassium\n setenv AERO_29 \"MNf_val,ug/m3,AMNJ,,Mn\" # manganese\n setenv AERO_30 \"2.20*ALf_val+2.49*SIf_val+1.63*CAf_val+2.42*FEf_val+1.94*TIf_val,ug/m3,ASOILJ,,soil\" # IMPROVE soil eqn.\n setenv AERO_31 \"MF_val-SO4f_val-NO3f_val-0.2903*NO3f_val-0.375*SO4f_val-OCf_val-ECf_val-NAf_val-CHLf_val-2.2*ALf_val-2.49*SIf_val-1.63*CAf_val-2.42*FEf_val-1.94*TIf_val,ug/m3,AUNSPEC1IJ,,OTHER\" # PM Other\n setenv AERO_32 \"0.8*OCf_val,ug/m3, ANCOMIJ,,NCOM\" # NCOM\n setenv AERO_33 \"MF_val-SO4f_val-NO3f_val-0.2903*NO3f_val-0.375*SO4f_val-OCf_val-ECf_val-NAf_val-CHLf_val-2.2*ALf_val-2.49*SIf_val-1.63*CAf_val-2.42*FEf_val-1.94*TIf_val,ug/m3, AUNSPEC2IJ,,OTHER_REM\" # PM Other remaining\n \n#>> End Species List <<#\n\n# ~~~~~~~~~~~~ END NETWORK SPECIFIC SECTION ~~~~~~~~~~~~~~~~~~~~~~~~~\n\n#> define time window\n set SDATE = \"2016-07-01\" #> beginning date (July 1, 2016)\n set EDATE = \"2016-07-14\" #> ending date (July 14, 2016)\n setenv START_TIME 0 \n setenv END_TIME 230000 \n\n#> Convert SDATE and EDATE to Julian day.\n#> (required format for sitecmp START_DATE and END_DATE environment variables)\n setenv START_DATE `date -ud \"${SDATE}\" +%Y%j`\n setenv END_DATE `date -ud \"${EDATE}\" +%Y%j` \n\n#> define the PRECIP variable\n setenv PRECIP RT\n\n#> adjust for daylight savings\n setenv APPLY_DLS N\n\n#> set missing value string\n setenv MISSING '-999'\n\n#> Projection sphere type (use type 20 to match WRF/CMAQ)\n setenv IOAPI_ISPH 20\n\n#> Number of hours to add when retrieving time steps from M3_FILE_n files during processing.\n#> This should only be non-zero if the M3_FILE_n files were pre-processed with a utility like m3tshift (default 0).\n setenv TIME_SHIFT 0\n\n#############################################################\n# Input files\n#############################################################\n\n#> ioapi input files containing VNAMES (max of 10)\n setenv M3_FILE_1 ${CMAQ_DATA}/POST/COMBINE_ACONC_${RUNID}_201607.nc\n #[Add location of input file, e.g. COMBINE_ACONC file.]\n\n#> SITE FILE containing site-id, longitude, latitude, and optionally \n#> GMT offset, state, county, and elevation (csv format)\n#> The column headings for the required variables need to be \n#> stat_id, lon, and lat (case insensitive)\n#> The column headings for the optional variables need to be\n#> gmt_offset, state, county, and elevation (case insensitive)\n#> See the README.md file in this folder for the information on \n#> where to download this file.\n setenv SITE_FILE IMPROVE_full_site_list.csv\n#> On EPA system:\n# setenv SITE_FILE /work/MOD3EVAL/aq_obs/routine/site_metadata_files/IMPROVE_full_site_list.csv\n\n\n#> input table containing site-id, time-period, and data fields\n#> AQS obs data in the format needed for sitecmp are available online.\n#> See the README.md file in this folder for the information on \n#> where to download this file.\n setenv IN_TABLE IMPROVE_data_2016.csv\n#> One EPA system:\n# setenv IN_TABLE /work/MOD3EVAL/aq_obs/routine/2016/IMPROVE_data_2016.csv\n\n\n#############################################################\n# Output files\n#############################################################\n\n#> output table (comma delimited text file importable to Excel)\n setenv OUT_TABLE ${POSTDIR}/IMPROVE_CMAQ_${RUNID}_201607.csv\n\n#> Executable call:\n ${BINDIR}/${EXEC}\n\n set progstat = ${status}\n if ( ${progstat} ) then\n echo \"ERROR ${progstat} in $BINDIR/$EXEC\"\n exit( ${progstat} )\n endif\n \n exit()\n" }, { "path": "POST/sitecmp/scripts/run_sitecmp_NADP.csh", "content": "#! /bin/csh -f\n\n# ===================== SITECMP_v5.5.X Run Script ===================\n# Usage: run_sitecmp_NADP.csh >&! sitecmp_NADP.log &\n#\n# To report problems or request help with this script/program:\n# http://www.epa.gov/cmaq (EPA CMAQ Website)\n# http://www.cmascenter.org\n# ===================================================================\n\n# ==================================================================\n#> Runtime Environment Options\n# ==================================================================\n\n#> Choose compiler and set up CMAQ environment with correct \n#> libraries using config.cmaq. Options: intel | gcc | pgi\n setenv compiler intel \n\n cd ../../..\n source ./config_cmaq.csh\n\n#> Set General Parameters for Configuring the Simulation\n set VRSN = v55 #> Code Version\n set PROC = mpi #> serial or mpi\n set MECH = cb6r3_ae7_aq #> Mechanism ID\n set APPL = Bench_2016_12SE1 #> Application Name (e.g. Gridname)\n \n#> Define RUNID as any combination of parameters above or others. By default,\n#> this information will be collected into this one string, $RUNID, for easy\n#> referencing in output binaries and log files as well as in other scripts.\n set RUNID = ${VRSN}_${compilerString}_${APPL}\n\n#> Set the build directory if this was not set above \n#> (this is where the executable is located by default).\n if ( ! $?BINDIR ) then\n set BINDIR = ${CMAQ_HOME}/POST/sitecmp/scripts/BLD_sitecmp_${VRSN}_${compilerString}\n endif\n\n#> Set the name of the executable.\n set EXEC = sitecmp_${VRSN}.exe\n\n#> Set output directory\n set POSTDIR = ${CMAQ_DATA}/POST #> Location where sitecmp file will be written\n\n if ( ! -e $POSTDIR ) then\n\t mkdir $POSTDIR\n endif\n\n# =====================================================================\n#> SITECMP Configuration Options\n# =====================================================================\n\n# ~~~~~~~~~~~~ START NETWORK SPECIFIC SECTION ~~~~~~~~~~~~~~~~~~~~~~~~~\n#> The following environment variables will change depending on what \n#> observation network is being matched with CMAQ output.\n#> See the README.md file in this folder for the settings to use for \n#> the following networks: IMPROVE, CASTNET, CSN (formally STN), NADP\n#> SEARCH, AIRMON\n\n#> Set TABLE TYPE\n setenv TABLE_TYPE NADP\n\n#> Specify the variable names used in your observation inputs\n#> and model output files for each of the species you are analyzing below.\n#>\n#> variable format:\n#> Obs_expression, Obs_units, [Mod_expression], [Mod_unit], [Variable_name]\n#>\n#> The expression is in the form:\n#> [factor1]*Obs_name1 [+][-] [factor2]*Obs_name2 ...\n setenv CHAR_1 \"Valcode\" \n setenv CHAR_2 \"Invalcode\" \n\n# Wet Concentration Variables (1-10) - compute volume-weighted average (VWAVG) in mg/l\n# Observed values are already volume-weighted averages for the collection\n# period. Original model output is hourly wet deposition. To calculate\n# VWAVG, the modeled wet deposition is accumulated for the collection time\n# period, divided by the total precipitation (mm), and * 100. Resultingi\n# units are mg/l.\n\n setenv WETCON_1 \"NH4,mg/l,WDEP_NHX,mg/l,NH4_conc\" \n setenv WETCON_2 \"NO3,mg/l,WDEP_TNO3,mg/l,NO3_conc\" \n setenv WETCON_3 \"SO4,mg/l,WDEP_TSO4,mg/l,SO4_conc\" \n setenv WETCON_4 \"Cl,mg/l,WDEP_TCL,mg/l,Cl_conc\" \n setenv WETCON_5 \"Na,mg/l,WDEP_ANAJK,mg/l,Na_conc\" \n\n# Wet Deposition Variables (1-10) - compute accumulated wet deposition in kg/ha\n# Observed values are volume-weighted average wet concentrations for thei\n# collection period (mg/l). To convert to wet deposition, multiply the wet\n# concentration values by the total observed precip (Sub Ppt in mm), and then\n# divide by 100. Original model output is hourly wet deposition. The modeled\n# wet deposition is accumulated for the collection time period.\n\n setenv WETDEP_1 \"NH4,kg/ha,WDEP_NHX,kg/ha,NH4_dep\" # Ammonium wet deposition\n setenv WETDEP_2 \"NO3,kg/ha,WDEP_TNO3,kg/ha,NO3_dep\" # Nitrate wet deposition\n setenv WETDEP_3 \"SO4,kg/ha,WDEP_TSO4,kg/ha,SO4_dep\" # Sulfate wet deposition \n setenv WETDEP_4 \"Cl,kg/ha,WDEP_TCL,kg/ha,Cl_dep\" # Chloride wet deposition \n setenv WETDEP_5 \"Na,kg/ha,WDEP_ANAJK,kg/ha,Na_dep\" # Sodium wet deposition\n\n# Precipitation Variables (1-10) - compute accumulated precipitation\n\n setenv PREC_1 \"Sub Ppt,mm,10*RT,mm,Precip\"\n\n# setenv AERO6 species\n setenv WETCON_6 \"Ca,mg/l,WDEP_CAJK,mg/l,CA_conc\" \n setenv WETCON_7 \"Mg,mg/l,WDEP_MGJK,mg/l,MG_conc\" \n setenv WETCON_8 \"K,mg/l,WDEP_KJK,mg/l,K_conc\"\n\n setenv WETDEP_6 \"Ca,kg/ha,WDEP_CAJK,kg/ha,CA_dep\" \n setenv WETDEP_7 \"Mg,kg/ha,WDEP_MGJK,kg/ha,MG_dep\" \n setenv WETDEP_8 \"K,kg/ha,WDEP_KJK,kg/ha,K_dep\"\n \n#>> End Species List <<#\n\n# ~~~~~~~~~~~~ END NETWORK SPECIFIC SECTION ~~~~~~~~~~~~~~~~~~~~~~~~~\n\n#> define time window\n set SDATE = \"2016-07-01\" #> beginning date (July 1, 2016)\n set EDATE = \"2016-07-14\" #> ending date (July 14, 2016)\n setenv START_TIME 0 \n setenv END_TIME 230000 \n\n#> Convert SDATE and EDATE to Julian day.\n#> (required format for sitecmp START_DATE and END_DATE environment variables)\n setenv START_DATE `date -ud \"${SDATE}\" +%Y%j`\n setenv END_DATE `date -ud \"${EDATE}\" +%Y%j` \n\n#> define the PRECIP variable\n setenv PRECIP RT\n\n#> adjust for daylight savings\n setenv APPLY_DLS N\n\n#> set missing value string\n setenv MISSING '-999'\n\n#> Projection sphere type (use type 20 to match WRF/CMAQ)\n setenv IOAPI_ISPH 20\n\n#> Number of hours to add when retrieving time steps from M3_FILE_n files during processing.\n#> This should only be non-zero if the M3_FILE_n files were pre-processed with a utility like m3tshift (default 0).\n setenv TIME_SHIFT 0\n\n#############################################################\n# Input files\n#############################################################\n\n#> ioapi input files containing VNAMES (max of 10)\n setenv M3_FILE_1 ${CMAQ_DATA}/POST/COMBINE_DEP_${RUNID}_201607.nc\n #[Add location of input file, e.g. COMBINE_DEP file.]\n\n#> SITE FILE containing site-id, longitude, latitude, and optionally \n#> GMT offset, state, county, and elevation (csv format)\n#> The column headings for the required variables need to be \n#> stat_id, lon, and lat (case insensitive)\n#> The column headings for the optional variables need to be\n#> gmt_offset, state, county, and elevation (case insensitive)\n#> See the README.md file in this folder for the information on \n#> where to download this file.\n setenv SITE_FILE NADP_full_site_list.csv\n#> On EPA system:\n# setenv SITE_FILE /work/MOD3EVAL/aq_obs/routine/site_metadata_files/NADP_full_site_list.csv\n\n#> input table containing site-id, time-period, and data fields\n#> AQS obs data in the format needed for sitecmp are available online.\n#> See the README.md file in this folder for the information on \n#> where to download this file.\n setenv IN_TABLE NADP_data_2016.csv\n#> One EPA system:\n# setenv IN_TABLE /work/MOD3EVAL/aq_obs/routine/2016/NADP_data_2016.csv\n#############################################################\n# Output files\n#############################################################\n\n#> output table (comma delimited text file importable to Excel)\n setenv OUT_TABLE ${POSTDIR}/NADP_CMAQ_${RUNID}_201607.csv\n\n#> Executable call:\n ${BINDIR}/${EXEC}\n\n set progstat = ${status}\n if ( ${progstat} ) then\n echo \"ERROR ${progstat} in $BINDIR/$EXEC\"\n exit( ${progstat} )\n endif\n \n exit()\n" }, { "path": "POST/sitecmp/scripts/run_sitecmp_SEARCH_Hourly.csh", "content": "#! /bin/csh -f\n\n# ===================== SITECMP_v5.5.X Run Script ==================\n# Usage: run_sitecmp_SEARCH.csh >&! sitecmp_SEARCH.log &\n#\n# To report problems or request help with this script/program:\n# http://www.epa.gov/cmaq (EPA CMAQ Website)\n# http://www.cmascenter.org\n# ===================================================================\n\n# ==================================================================\n#> Runtime Environment Options\n# ==================================================================\n\n#> Choose compiler and set up CMAQ environment with correct \n#> libraries using config.cmaq. Options: intel | gcc | pgi\n setenv compiler intel \n\n cd ../../..\n source ./config_cmaq.csh\n\n#> Set General Parameters for Configuring the Simulation\n set VRSN = v55 #> Code Version\n set PROC = mpi #> serial or mpi\n set MECH = cb6r3_ae7_aq #> Mechanism ID\n set APPL = Bench_2016_12SE1 #> Application Name (e.g. Gridname)\n \n#> Define RUNID as any combination of parameters above or others. By default,\n#> this information will be collected into this one string, $RUNID, for easy\n#> referencing in output binaries and log files as well as in other scripts.\n set RUNID = ${VRSN}_${compilerString}_${APPL}\n\n#> Set the build directory if this was not set above \n#> (this is where the executable is located by default).\n if ( ! $?BINDIR ) then\n set BINDIR = ${CMAQ_HOME}/POST/sitecmp/scripts/BLD_sitecmp_${VRSN}_${compilerString}\n endif\n\n#> Set the name of the executable.\n set EXEC = sitecmp_${VRSN}.exe\n\n#> Set output directory\n set POSTDIR = ${CMAQ_DATA}/POST #> Location where sitecmp file will be written\n\n if ( ! -e $POSTDIR ) then\n\t mkdir $POSTDIR\n endif\n\n# =====================================================================\n#> SITECMP Configuration Options\n# =====================================================================\n\n# ~~~~~~~~~~~~ START NETWORK SPECIFIC SECTION ~~~~~~~~~~~~~~~~~~~~~~~~~\n#> The following environment variables will change depending on what \n#> observation network is being matched with CMAQ output.\n#> See the README.md file in this folder for the settings to use for \n#> the following networks: IMPROVE, CASTNET, CSN (formally STN), NADP\n#> SEARCH, AIRMON\n\n#> Set TABLE TYPE\n setenv TABLE_TYPE CASTNET\n\n#> Specify the variable names used in your observation inputs\n#> and model output files for each of the species you are analyzing below.\n#>\n#> variable format:\n#> Obs_expression, Obs_units, [Mod_expression], [Mod_unit], [Variable_name]\n#>\n#> The expression is in the form:\n#> [factor1]*Obs_name1 [+][-] [factor2]*Obs_name2 ...\n setenv AERO_1 \"Average O3[ppb],ppb,O3,,O3\" \n setenv AERO_2 \"Average CO[ppb],ppb,CO,,CO\" \n setenv AERO_3 \"Average SO2[ppb],ppb,SO2,,SO2\" \n setenv AERO_4 \"Average NO[ppb],ppb,NO,,NO\" \n setenv AERO_5 \"Average NO2[ppb],ppb,NO2,,NO2\" \n setenv AERO_6 \"Average NOy[ppb],ppb,NOY,ppb,NOY\" \n setenv AERO_7 \"Average HNO3[ppb],ppb,HNO3,ppb,HNO3\" \n setenv AERO_8 \"Average NH3[ppb],ug/m3,NH3,,NH3\" \n setenv AERO_9 \"Average WSP[m/s],m/s,WSPD10,m/s,WSPD10\" \n setenv AERO_10 \"Average WDR[Deg],m/s,WDIR10,m/s,WDIR10\" \n setenv AERO_11 \"Average RH[%],%,RH,%,RH\" \n setenv AERO_12 \"Average TEMP[Deg C],C,SFC_TMP,C,SFC_TMP\" \n setenv AERO_13 \"25.4*Average RAINFALL[Inches],mm,precip,mm,precip\" \n setenv AERO_14 \"Average SR[W/m2],w/m2,SOL_RAD,watts/m2,Solar_Rad\" \n setenv AERO_15 \"Average OptEC[ug/m3],ug/m3,PM25_EC,ug/m3,PM25_EC\"\n setenv AERO_16 \"Average OC[ug/m3],ug/m3,PM25_OC,ug/m3,PM25_OC\"\n setenv AERO_17 \"Average TC[ug/m3],ug/m3,PM25_EC+PM25_OC,ug/m3,PM25_TC\"\n setenv AERO_18 \"Average NH4[ug/m3],ug/m3,PM25_NH4,,PM25_NH4\"\n setenv AERO_19 \"Average NO3[ug/m3],ug/m3,PM25_NO3,,PM25_NO3\"\n setenv AERO_20 \"Average SO4[ug/m3],ug/m3,PM25_SO4,,PM25_SO4\"\n\n#> End Species List ###\n\n\n# ~~~~~~~~~~~~ END NETWORK SPECIFIC SECTION ~~~~~~~~~~~~~~~~~~~~~~~~~\n\n#> define time window\n set SDATE = \"2016-07-01\" #> beginning date (July 1, 2016)\n set EDATE = \"2016-07-14\" #> ending date (July 14, 2016)\n setenv START_TIME 0 \n setenv END_TIME 230000 \n\n#> Convert SDATE and EDATE to Julian day.\n#> (required format for sitecmp START_DATE and END_DATE environment variables)\n setenv START_DATE `date -ud \"${SDATE}\" +%Y%j`\n setenv END_DATE `date -ud \"${EDATE}\" +%Y%j` \n\n#> define the PRECIP variable\n setenv PRECIP RT\n\n#> adjust for daylight savings\n setenv APPLY_DLS N\n\n#> set missing value string\n setenv MISSING '-999'\n\n#> Projection sphere type (use type 20 to match WRF/CMAQ)\n setenv IOAPI_ISPH 20\n\n#> Number of hours to add when retrieving time steps from M3_FILE_n files during processing.\n#> This should only be non-zero if the M3_FILE_n files were pre-processed with a utility like m3tshift (default 0).\n setenv TIME_SHIFT 0\n\n#############################################################\n# Input files\n#############################################################\n\n#> ioapi input files containing VNAMES (max of 10)\n setenv M3_FILE_1 ${CMAQ_DATA}/POST/COMBINE_ACONC_${RUNID}_201607.nc\n #[Add location of input file, e.g. COMBINE_ACONC file.]\n\n#> SITE FILE containing site-id, longitude, latitude, and optionally \n#> GMT offset, state, county, and elevation (csv format)\n#> The column headings for the required variables need to be \n#> stat_id, lon, and lat (case insensitive)\n#> The column headings for the optional variables need to be\n#> gmt_offset, state, county, and elevation (case insensitive)\n#> See the README.md file in this folder for the information on \n#> where to download this file.\n setenv SITE_FILE SEARCH_full_site_list.csv\n#> On EPA system:\n# setenv SITE_FILE /work/MOD3EVAL/aq_obs/routine/site_metadata_files/SEARCH_full_site_list.csv\n\n\n#> input table containing site-id, time-period, and data fields\n#> AQS obs data in the format needed for sitecmp are available online.\n#> See the README.md file in this folder for the information on \n#> where to download this file.\n setenv IN_TABLE SEARCH_hourly_data_2016.csv\n#> One EPA system:\n# setenv IN_TABLE /work/MOD3EVAL/aq_obs/routine/2016/SEARCH_hourly_data_2016.csv\n\n\n#############################################################\n# Output files\n#############################################################\n\n#> output table (comma delimited text file importable to Excel)\n setenv OUT_TABLE ${POSTDIR}/SEARCH_Hourly_CMAQ_${RUNID}_201607.csv\n\n#> Executable call:\n ${BINDIR}/${EXEC}\n\n set progstat = ${status}\n if ( ${progstat} ) then\n echo \"ERROR ${progstat} in $BINDIR/$EXEC\"\n exit( ${progstat} )\n endif\n \n exit()\n" }, { "path": "POST/sitecmp/src/ck_ctms.F", "content": "\n!-----------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies!\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!-----------------------------------------------------------------------!\n\n! RCS file, release, date & time of last delta, author, state, [and locker]\n! $Header: /home/sjr/cvs2git/TOOLS/src/sitecmp/ck_ctms.F,v 1.4 2011/10/21 14:41:31 sjr Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC*************************************************************************\nC\nC FUNCTION: To check multiple input CTM conc files for consistent\nC header data\nC \nC \nC*************************************************************************\n SUBROUTINE CK_M3FLS()\n\n USE M3FILES\n USE M3UTILIO\n\n IMPLICIT NONE \n\n\nC..ARGUMENTS:\n\nC..PARAMETERS: None\n\nC..SAVED LOCAL VARIABLES: None\n\nC..SCRATCH LOCAL VARIABLES:\n CHARACTER*80 MSG ! Log message\n CHARACTER*16 PNAME ! Program Name\n CHARACTER*15 VAL1 ! Character value of real\n CHARACTER*15 VAL2 ! Character value of real\n\n INTEGER L, N ! Loop indices\n INTEGER FTYPE1 ! File 1 file type\n INTEGER NCOLS1 ! File 1 number of columns\n INTEGER NROWS1 ! File 1 number of rows\n INTEGER NLAYS1 ! File 1 number of levels\n INTEGER SDATE1 ! File 1 start date\n INTEGER STIME1 ! File 1 start time\n INTEGER TSTEP1 ! File 1 time step\n INTEGER MXREC1 ! File 1 number of time steps\n INTEGER NTHIK1 ! File 1 boundary thickness\n INTEGER GDTYP1 ! File 1 horizontal grid type\n INTEGER VGTYP1 ! File 1 Vertical coordinate type\n\n LOGICAL LERROR ! Error Flag\n LOGICAL LSTOP ! Exit Flag\n\n REAL P_ALP1 ! File 1 map projection parameter \n REAL P_BET1 ! File 1 map projection parameter \n REAL P_GAM1 ! File 1 map projection parameter\n REAL XORIG1 ! File 1 X-origin\n REAL YORIG1 ! File 1 Y-origin\n REAL XCELL1 ! File 1 X-dimension of cells\n REAL YCELL1 ! File 1 Y-dimension of cells\n REAL XCENT1 ! File 1 X-center of coordinate system\n REAL YCENT1 ! File 1 Y-center of coordinate system\n REAL VGTOP1 ! File 1 model top\n\n REAL VGLVS1( MXLAYS3 + 1 ) ! File vertical layer heights\n \nC**********************************************************************\n DATA PNAME / 'CK_M3FLS' /\n\n LSTOP = .FALSE.\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get header data for CTM file 1\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF( .NOT. DESC3 ( M3_FLNAME( 1 ) ) ) THEN\n MSG = 'Could not read DESC of ' // M3_FLNAME( 1 ) \n & // ' file'\n CALL M3ERR( PNAME, 0, 0, MSG, .TRUE. )\n ENDIF\n\n FTYPE1 = FTYPE3D\n NCOLS1 = NCOLS3D\n NROWS1 = NROWS3D\n NLAYS1 = NLAYS3D\n SDATE1 = SDATE3D\n STIME1 = STIME3D\n TSTEP1 = TSTEP3D\n MXREC1 = MXREC3D\n NTHIK1 = NTHIK3D\n GDTYP1 = GDTYP3D\n P_ALP1 = P_ALP3D\n P_BET1 = P_BET3D\n P_GAM1 = P_GAM3D\n XORIG1 = XORIG3D\n YORIG1 = YORIG3D\n XCELL1 = XCELL3D\n YCELL1 = YCELL3D\n XCENT1 = XCENT3D\n YCENT1 = YCENT3D\n VGTYP1 = VGTYP3D\n VGTOP1 = VGTOP3D\n DO N = 1 , NLAYS3D + 1\n VGLVS1( N ) = VGLVS3D( N )\n ENDDO\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Check to see that requested variable is on all files\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n DO N = 1, N_M3FILES\n\n IF( .NOT. DESC3 ( M3_FLNAME( N ) ) ) THEN\n MSG = 'Could not read DESC of ' // M3_FLNAME( N ) \n & // ' file'\n CALL M3ERR( PNAME, 0, 0, MSG, .TRUE. )\n ENDIF\n\n ENDDO\n\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Write out report data\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF( N_M3FILES .GT. 1 ) THEN \n MSG = 'Multiple Models-3 files being used' \n CALL M3MESG( MSG )\n MSG = 'Files being checked for consistent header data' \n CALL M3MESG( MSG )\n ENDIF\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Compare header data on file 1 with header data on other CTM files\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n DO N = 2, N_M3FILES\n\n WRITE( MSG, '( ''Differences found between files '', A, \n & '' and '', A )' ) \n & TRIM( M3_FLNAME( 1 ) ), \n & TRIM( M3_FLNAME( N ) )\n\n CALL M3MESG( MSG )\n\n LERROR = .FALSE.\n\n\n IF( .NOT. DESC3 ( M3_FLNAME( N ) ) ) THEN\n MSG = 'Could not read DESC of ' // M3_FLNAME( N ) \n & // ' file'\n CALL M3ERR( PNAME, 0, 0, MSG, .TRUE. )\n ENDIF\n \n IF( FTYPE1 .NE. FTYPE3D ) THEN\n WRITE( LOGUNIT, 94020 ) FTYPE1, N, FTYPE3D\n LERROR = .TRUE.\n ENDIF\n\n IF( NCOLS1 .NE. NCOLS3D ) THEN\n WRITE( LOGUNIT, 94040 ) NCOLS1, N, NCOLS3D\n LERROR = .TRUE.\n ENDIF\n\n IF( NROWS1 .NE. NROWS3D ) THEN\n WRITE( LOGUNIT, 94060 ) NROWS1, N, NROWS3D\n LERROR = .TRUE.\n ENDIF\n\n IF( NLAYS1 .NE. NLAYS3D ) THEN\n WRITE( LOGUNIT, 94080 ) NLAYS1, N, NLAYS3D\n LERROR = .TRUE.\n ENDIF\n\n IF( TSTEP1 .NE. TSTEP3D ) THEN\n WRITE( LOGUNIT, 94140 ) TSTEP1, N, TSTEP3D\n LERROR = .TRUE.\n ENDIF\n\n IF( NTHIK1 .NE. NTHIK3D ) THEN\n WRITE( LOGUNIT, 94180 ) NTHIK1, N, NTHIK3D\n LERROR = .TRUE.\n ENDIF\n\n IF( GDTYP1 .NE. GDTYP3D ) THEN\n WRITE( LOGUNIT, 94200 ) GDTYP1, N, GDTYP3D\n LERROR = .TRUE.\n ENDIF\n\n WRITE( VAL1, 94000 ) P_ALP1\n WRITE( VAL2, 94000 ) P_ALP3D\n IF( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94220 ) P_ALP1, N, P_ALP3D\n LERROR = .TRUE.\n ENDIF\n\n WRITE( VAL1, 94000 ) P_BET1\n WRITE( VAL2, 94000 ) P_BET3D\n IF( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94240 ) P_BET1, N, P_BET3D\n LERROR = .TRUE.\n ENDIF\n\n WRITE( VAL1, 94000 ) P_GAM1\n WRITE( VAL2, 94000 ) P_GAM3D\n IF( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94260 ) P_GAM1, N, P_GAM3D\n LERROR = .TRUE.\n ENDIF\n\n WRITE( VAL1, 94000 ) XORIG1\n WRITE( VAL2, 94000 ) XORIG3D\n IF( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94280 ) XORIG1, N, XORIG3D\n LERROR = .TRUE.\n ENDIF\n\n WRITE( VAL1, 94000 ) YORIG1\n WRITE( VAL2, 94000 ) YORIG3D\n IF( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94300 ) YORIG1, N, YORIG3D\n LERROR = .TRUE.\n ENDIF\n\n WRITE( VAL1, 94000 ) XCELL1\n WRITE( VAL2, 94000 ) XCELL3D\n IF( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94320 ) XCELL1, N, XCELL3D\n LERROR = .TRUE.\n ENDIF\n\n WRITE( VAL1, 94000 ) YCELL1\n WRITE( VAL2, 94000 ) YCELL3D\n IF( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94340 ) YCELL1, N, YCELL3D\n LERROR = .TRUE.\n ENDIF\n\n WRITE( VAL1, 94000 ) XCENT1\n WRITE( VAL2, 94000 ) XCENT3D\n IF( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94360 ) XCENT1, N, XCENT3D\n LERROR = .TRUE.\n ENDIF\n\n WRITE( VAL1, 94000 ) YCENT1\n WRITE( VAL2, 94000 ) YCENT3D\n IF( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94380 ) YCENT1, N, YCENT3D\n LERROR = .TRUE.\n ENDIF\n\n WRITE( VAL1, 94000 ) VGTOP1\n WRITE( VAL2, 94000 ) VGTOP3D\n IF( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94420 ) VGTOP1, N, VGTOP3D\n LERROR = .TRUE.\n ENDIF\n\n DO L = 1 , NLAYS1 + 1\n WRITE( VAL1, 94000 ) VGLVS1( L )\n WRITE( VAL2, 94000 ) VGLVS3D( L )\n IF( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94440 ) L, VGLVS1( L ), N, L,\n & VGLVS3D( L ) \n LERROR = .TRUE.\n ENDIF\n ENDDO\n \n IF( .NOT. LERROR ) THEN\n WRITE( LOGUNIT, 94460 )\n ELSE\n LSTOP = .TRUE.\n ENDIF\n\n\n ENDDO\n\n IF( LSTOP ) THEN\n MSG = 'Missing variable or file inconsistencies detected: stopping' \n CALL M3ERR( PNAME, 0, 0, MSG, .TRUE. )\n ENDIF\n \n RETURN\n\nC************************* FORMAT STATEMENTS ***************************\n\n94000 FORMAT( E15.5 )\n94020 FORMAT(10X, 'FTYPE1 = ', I3, ' FTYPE', I1, ' = ', I3 )\n94040 FORMAT(10X, 'NCOLS1 = ', I3, ' NCOLS', I1, ' = ', I3 )\n94060 FORMAT(10X, 'NROWS1 = ', I3, ' NROWS', I1, ' = ', I3 )\n94080 FORMAT(10X, 'NLAYS1 = ', I3, ' NLAYS', I1, ' = ', I3 )\n94100 FORMAT(10X, 'SDATE1 = ', I3, ' SDATE', I1, ' = ', I3 )\n94120 FORMAT(10X, 'STIME1 = ', I3, ' STIME', I1, ' = ', I3 )\n94140 FORMAT(10X, 'TSTEP1 = ', I3, ' TSTEP', I1, ' = ', I3 )\n94160 FORMAT(10X, 'MXREC1 = ', I3, ' MXREC', I1, ' = ', I3 )\n94180 FORMAT(10X, 'NTHIK1 = ', I3, ' NTHIK', I1, ' = ', I3 )\n94200 FORMAT(10X, 'GDTYP1 = ', I3, ' GDTYP', I1, ' = ', I3 )\n94220 FORMAT(10X, 'P_ALP1 = ', 1PE12.5, ' P_ALP', I1, ' = ', 1PE12.5 )\n94240 FORMAT(10X, 'P_BET1 = ', 1PE12.5, ' P_BET', I1, ' = ', 1PE12.5 )\n94260 FORMAT(10X, 'P_GAM1 = ', 1PE12.5, ' P_GAM', I1, ' = ', 1PE12.5 )\n94280 FORMAT(10X, 'XORIG1 = ', 1PE12.5, ' XORIG', I1, ' = ', 1PE12.5 )\n94300 FORMAT(10X, 'YORIG1 = ', 1PE12.5, ' YORIG', I1, ' = ', 1PE12.5 )\n94320 FORMAT(10X, 'XCELL1 = ', 1PE12.5, ' XCELL', I1, ' = ', 1PE12.5 )\n94340 FORMAT(10X, 'YCELL1 = ', 1PE12.5, ' YCELL', I1, ' = ', 1PE12.5 )\n94360 FORMAT(10X, 'XCENT1 = ', 1PE12.5, ' XCENT', I1, ' = ', 1PE12.5 )\n94380 FORMAT(10X, 'YCENT1 = ', 1PE12.5, ' YCENT', I1, ' = ', 1PE12.5 )\n94420 FORMAT(10X, 'VGTOP1 = ', 1PE12.5, ' VGTOP', I1, ' = ', 1PE12.5 )\n94440 FORMAT(10X, 'VGLVS1(', I2, ' ) = ', 1PE12.5, ' VGLVS', I1,\n & '(', I2, ' ) = ', 1PE12.5 )\n94445 FORMAT(10X, 'Variable ', A, ' not on file ', A )\n94460 FORMAT(10X, 'NONE' )\n\n END\n" }, { "path": "POST/sitecmp/src/get_gridval.F", "content": "\n!-----------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies!\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!-----------------------------------------------------------------------!\n\n! RCS file, release, date & time of last delta, author, state, [and locker]\n! $Header: /home/sjr/cvs2git/TOOLS/src/sitecmp/get_gridval.F,v 1.4 2011/10/21 14:41:32 sjr Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC*************************************************************************\nC\nC FUNCTION: Gets avg concentration for each grid cell\nC \nC \nC*************************************************************************\n SUBROUTINE GET_GRIDVAL( GRIDVAL,VNAME, N )\n\n USE M3FILES\n USE ENV_VARS\n USE GRID_DATA\n USE TIME_STEP\n\n USE M3UTILIO \n\n IMPLICIT NONE \n\nC..ARGUMENTS:\n INTEGER N\n CHARACTER*16 VNAME\n\n REAL GRIDVAL( M3GRID % NCOLS, M3GRID % NROWS )\n\n\nC..PARAMETERS: None\n \n\nC..EXTERNAL FUNCTIONS:\n\nC..SAVED LOCAL VARIABLES: None\n\nC..SCRATCH LOCAL VARIABLES:\n CHARACTER*16 PNAME ! Program Name\n CHARACTER*80 MSG ! Error message\n\n INTEGER ESTEP ! Last time step for averaging\n INTEGER JDATE ! Time step date, coded YYYYDDD\n INTEGER JTIME ! Time step time, coded HHMMSS\n INTEGER JFILE ! No. of file containing jdate & jtime \n INTEGER AVG_TIME\n INTEGER NAVG ! Loop index \n\nC..SAVED LOCAL VARIABLES:\n LOGICAL LFIRST\n SAVE LFIRST\n\n REAL, SAVE, ALLOCATABLE :: CHOUR( : , :, : )\n\n \nC**********************************************************************\n DATA PNAME / 'GET_GRIDVAL' /\n DATA LFIRST / .TRUE. /\n DATA AVG_TIME / 1 /\n\n\n IF( AVG_TIME .EQ. 1 ) THEN\n\n JDATE = STEP_DATE( N )\n JTIME = STEP_TIME( N )\n JFILE = STEP_FILE( N )\n\n\n IF( .NOT. READ3( M3_FLNAME( JFILE ) , VNAME, 1, JDATE, \n & JTIME, GRIDVAL( 1, 1 ) ) ) THEN\n MSG = 'Could not read input Models-3 file ' //\n & M3_FLNAME( JFILE ) \n CALL M3ERR( PNAME, JDATE, JTIME, MSG, .TRUE. )\n ENDIF\n\n RETURN\n\n ELSE\n\n IF( LFIRST ) THEN\n\nc..allocate array and read first n values\n ALLOCATE( CHOUR( M3GRID % NCOLS, M3GRID % NROWS, AVG_TIME ) )\n\n DO NAVG = 1, AVG_TIME\n\n JDATE = STEP_DATE( NAVG )\n JTIME = STEP_TIME( NAVG )\n JFILE = STEP_FILE( NAVG )\n\n IF( .NOT. READ3( M3_FLNAME( JFILE ) , VNAME, 1, JDATE, \n & JTIME, CHOUR( 1, 1, NAVG ) ) ) THEN\n MSG = 'Could not read input Models-3 file ' //\n & M3_FLNAME( JFILE ) \n CALL M3ERR( PNAME, JDATE, JTIME, MSG, .TRUE. )\n ENDIF\n\n\n ENDDO\n\n LFIRST = .FALSE.\n\n ELSE\n\n\nc..drop the first hour and add an hour at the end\n DO NAVG = 2, AVG_TIME\n CHOUR( : , : , NAVG - 1 ) = CHOUR( : , : , NAVG ) \n ENDDO\n\n ESTEP = N + AVG_TIME - 1\n\n JDATE = STEP_DATE( ESTEP )\n JTIME = STEP_TIME( ESTEP )\n JFILE = STEP_FILE( ESTEP )\n\n IF( .NOT. READ3( M3_FLNAME( JFILE ) , VNAME, 1, JDATE, \n & JTIME, CHOUR( 1, 1, AVG_TIME ) ) ) THEN\n MSG = 'Could not read input Models-3 file ' //\n & M3_FLNAME( JFILE ) \n CALL M3ERR( PNAME, JDATE, JTIME, MSG, .TRUE. )\n ENDIF\n\n ENDIF\n\n\nc..comput the n-hour average\n GRIDVAL = ( SUM ( CHOUR( : , : , 1 : AVG_TIME ) , DIM = 3 ) ) /\n & FLOAT( AVG_TIME )\n\n\n ENDIF\n\n RETURN\n \n END\n" }, { "path": "POST/sitecmp/src/get_units.F", "content": "\n!-----------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies!\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!-----------------------------------------------------------------------!\n\n! RCS file, release, date & time of last delta, author, state, [and locker]\n! $Header: /home/sjr/cvs2git/TOOLS/src/sitecmp/get_units.F,v 1.4 2011/10/21 14:41:32 sjr Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC\nC\nC Routine to return the units of a variable for file M3_FLNAME(1)\nC\nCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC\n\n SUBROUTINE GET_UNITS( VARNAME, UNITS )\n\n USE M3FILES\n USE ENV_VARS\n USE M3UTILIO\n\n IMPLICIT NONE \n\nC..ARGUMENTS:\n CHARACTER*(*) VARNAME\n CHARACTER*(*) UNITS\n\nC..SCRATCH LOCAL VARIABLES:\n CHARACTER*16 PNAME ! Program Name\n CHARACTER*256 MSG\n INTEGER I\n\n\n DATA PNAME / 'CK_M3FLS' /\n UNITS = 'na'\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get header data for CTM file 1\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF( .NOT. DESC3 ( M3_FLNAME( 1 ) ) ) THEN\n MSG = 'Could not read DESC of ' // M3_FLNAME( 1 ) \n & // ' file'\n CALL M3ERR( PNAME, 0, 0, MSG, .TRUE. )\n RETURN\n ENDIF\n\n\n ! find matching variable, and return it's units\n DO I=1,MXVARS3\n if( VNAME3D(i) .eq. VARNAME ) UNITS = UNITS3D(I)\n EndDo\n\n RETURN\n \n END\n" }, { "path": "POST/sitecmp/src/module_envvar.F", "content": "\n!-----------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies!\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!-----------------------------------------------------------------------!\n\n! RCS file, release, date & time of last delta, author, state, [and locker]\n! $Header: /home/sjr/cvs2git/TOOLS/src/sitecmp/module_envvar.F,v 1.5 2011/10/21 14:41:32 sjr Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC*************************************************************************\nC\nC MODULE: defines and gets environment variables\nC \nC*************************************************************************\n MODULE ENV_VARS\n\n CHARACTER*256 SITE_FILE ! Site info file\n\n CHARACTER*16 TABLE_TYPE ! Table type on input (IMPROVE, CASTNET, MDN, NADP, STN)\n\n CHARACTER*256 IN_TABLE ! Input table of actual values \n\n CHARACTER*256 OUT_TABLE ! Output table containing both actual and modeled values \n\n INTEGER START_DATE ! starting date of period to process\n INTEGER START_TIME ! starting time of period to process\n INTEGER END_DATE ! ending date of period to process\n INTEGER END_TIME ! ending time of period to process\n INTEGER TIME_SHIFT ! hours to adjust model data\n\n LOGICAL APPLYDLS ! Daylight Savings flag\n\n CHARACTER*16 PRECIP_FIELD ! name of precip species in wet concentration calculations\n\n CHARACTER*10 MISSING_VALUE ! indicates missing value in output\n\n CONTAINS\n\n SUBROUTINE GET_ENVS\nC*************************************************************************\nC\nC FUNCTION: To get environment variables\nC \nC \nC*************************************************************************\n USE M3UTILIO\n\n IMPLICIT NONE \n\nC..SAVED LOCAL VARIABLES: None\n\nC..SCRATCH LOCAL VARIABLES:\n CHARACTER*16 PNAME ! Program Name\n CHARACTER*16 TABLETYPE ! Env var for table type\n CHARACTER*16 INTABLE ! Env var for input table file name\n CHARACTER*16 OUTTABLE ! Env var for output table file name\n CHARACTER*16 APPLY_DLS ! Env var that indicates if DLS should apply\n CHARACTER*16 MISSING ! Env var to use to indicate missing values \n\n CHARACTER*80 MSG ! Error message\n CHARACTER*256 RET_VAL ! Returned value of env var\n CHARACTER*16 ENV_DFLT ! default env value \n CHARACTER*16 ENV_DESC ! message string\n INTEGER STATUS ! Status code\n LOGICAL LERROR ! Error flag\n\n CHARACTER*16 VARS(20) ! Env var for list of variables\n INTEGER I\n\nC**********************************************************************\n DATA PNAME / 'GET_ENVS' /\n DATA TABLETYPE / 'TABLE_TYPE' /\n DATA INTABLE / 'IN_TABLE' /\n DATA OUTTABLE / 'OUT_TABLE' / \n DATA APPLY_DLS / 'APPLY_DLS' / \n DATA MISSING / 'MISSING' / \n\n LERROR = .FALSE.\n \n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get the table type\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n ENV_DFLT = ''\n ENV_DESC = 'Table type (AVG_DAILY or AVG_PERIOD)' \n CALL ENVSTR( TABLETYPE, ENV_DESC, ENV_DFLT, TABLE_TYPE, STATUS)\n\n IF( STATUS .NE. 0 ) THEN\n MSG = 'WARNING: No table type assigned'\n CALL M3MESG( MSG )\n ENDIF\n\n IF( TABLE_TYPE.ne.'IMPROVE' .and.\n & TABLE_TYPE.ne.'CASTNET' .and.\n & TABLE_TYPE.ne.'SEARCH' .and.\n & TABLE_TYPE.ne.'STN' .and.\n & TABLE_TYPE.ne.'MDN' .and.\n & TABLE_TYPE.ne.'MET' .and.\n & TABLE_TYPE.ne.'OUTPUT' .and.\n & TABLE_TYPE.ne.'AIRMON' .and.\n & TABLE_TYPE.ne.'DEARS' .and.\n & TABLE_TYPE.ne.'NADP') THEN\n MSG = 'ERROR: Invalid table type defined, must be '//\n & '(IMPROVE, CASTNET, SEARCH, STN, MDN, MET, NADP, DEARS, AIRMON, OUTPUT)'\n CALL M3MESG( MSG )\n LERROR = .TRUE.\n ENDIF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get the name of the input table file\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n ENV_DFLT = 'INTABLE'\n ENV_DESC = 'Input Table name' \n CALL ENVSTR( INTABLE, ENV_DESC, ENV_DFLT, IN_TABLE, STATUS)\n\n IF( STATUS .NE. 0 ) THEN\n MSG = 'ERROR: no file name assigned to '//INTABLE\n CALL M3MESG( MSG )\n LERROR = .TRUE.\n ENDIF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get the name of the site file\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n ENV_DFLT = 'SITEFILE'\n ENV_DESC = 'Site file name' \n CALL ENVSTR( 'SITE_FILE', ENV_DESC, ENV_DFLT, SITE_FILE, STATUS)\n\n IF( STATUS .NE. 0 ) THEN\n MSG = 'ERROR: no file name assigned to SITEFILE '\n CALL M3MESG( MSG )\n LERROR = .TRUE.\n ENDIF\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get the name of the output table file\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n ENV_DFLT = 'OUTTABLE'\n ENV_DESC = 'Output Table name' \n CALL ENVSTR( OUTTABLE, ENV_DESC, ENV_DFLT, OUT_TABLE, STATUS)\n\n IF( STATUS .NE. 0 ) THEN\n MSG = 'ERROR: no file name assigned to '//OUTTABLE\n CALL M3MESG( MSG )\n LERROR = .TRUE.\n ENDIF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get the starting and ending dates and times\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\nC...get starting date and time\n start_date = ENVINT('START_DATE','Start date for average period', 0, STATUS)\n start_time = ENVINT('START_TIME','Start time for average period', 0, STATUS)\n\nC...get ending date and time\n end_date = ENVINT('END_DATE','End date for average period', 0, STATUS)\n end_time = ENVINT('END_TIME','End time for average period', 0, STATUS)\n\n\n if(( start_date .gt. end_date ) .or.\n & ( start_date .eq. end_date .and. start_time .gt. end_time )) then\n MSG = '**Error** Invalid time window defined, start_time > end_time'\n CALL M3ERR( PNAME, 0, 0, MSG, .TRUE. ) \n Stop\n Endif\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get the TIME Shift adjustment in hours \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc \n ENV_DESC = 'Hours added to model data read' \n TIME_SHIFT= ENVINT( 'TIME_SHIFT', ENV_DESC, 0, STATUS)\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get the DLS apply flag (default is false)\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc \n ENV_DESC = 'Flag to apply Daylight Saving adjustment' \n APPLYDLS = ENVYN( APPLY_DLS, ENV_DESC, .FALSE., STATUS)\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get the Precip species to use in Volume_Weight calculations \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n ENV_DESC = 'Precip species used in wet concentrations' \n CALL ENVSTR('PRECIP', ENV_DESC, 'Precip', PRECIP_FIELD, STATUS)\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get the Character string to use for missing values\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc \n ENV_DESC = 'String to indicate missing values' \n CALL ENVSTR( MISSING, ENV_DESC, '-999', MISSING_VALUE, STATUS)\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Stop if errors detected\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n IF( LERROR ) THEN\n MSG = 'Error in assigning environment variables -- stopping'\n CALL M3ERR( PNAME, 0, 0, MSG, .TRUE. ) \n ENDIF\n\n\n RETURN\n\n END SUBROUTINE GET_ENVS\n\n END MODULE ENV_VARS\n" }, { "path": "POST/sitecmp/src/module_file.F", "content": "\n!-----------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies!\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!-----------------------------------------------------------------------!\n\n! RCS file, release, date & time of last delta, author, state, [and locker]\n! $Header: /home/sjr/cvs2git/TOOLS/src/sitecmp/module_file.F,v 1.4 2011/10/21 14:41:32 sjr Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC*************************************************************************\nC\nC MODULE: sets up file data\nC \nC*************************************************************************\n MODULE M3FILES\n\n USE M3UTILIO\n\n INTEGER LOGUNIT ! Logdevice\n\n INTEGER N_M3FILES ! No. of input Models-3 files\n\n INTEGER, PARAMETER :: MXM3FLS = MXFILE3 - 1 ! Max no. of input files - use IOAPI parameter \n ! MXFILE3 - 1 to also allow one output file\n\n CHARACTER*16 M3_FLNAME( MXM3FLS ) ! Names of Models-3 file\n\n CHARACTER*256 M3FILE ! first filename\n\n CONTAINS\n\n\n SUBROUTINE OPEN_M3FILES\nC*************************************************************************\nC\nC FUNCTION: To provide site data\nC \nC*************************************************************************\n\n USE M3UTILIO\n\n IMPLICIT NONE \n\n \nC..ARGUMENTS: None\n\nC..PARAMETERS: None\n\nC..EXTERNAL FUNCTIONS: None\n\nC..SAVED LOCAL VARIABLES: None\n\nC..SCRATCH LOCAL VARIABLES:\n CHARACTER*16 ENV_DFLT ! Environment variable default value\n CHARACTER*16 FL_NAME ! Input Models-3 file name\n CHARACTER*16 PNAME ! Program Name\n CHARACTER*80 ENV_DESC ! Environment variable description\n CHARACTER*80 MSG ! Error message\n CHARACTER*256 RET_VAL ! Returned value of environment variable\n\n INTEGER N ! Loop index\n INTEGER STATUS ! Status code\n\nC**********************************************************************\n DATA PNAME / 'OPEN_M3FILES' /\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Determine the number of input CTM conc files that need to be read\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n LOGUNIT = INIT3()\n\n N_M3FILES = 0\n\n WRITE( LOGUNIT, 92020 )\n\n DO N = 1, MXM3FLS\n\n IF( N .LT. 10 ) THEN\n WRITE( FL_NAME, '( ''M3_FILE_'', I1 )' ) N\n WRITE( ENV_DESC, '( ''CTM Concentration file no. '', I1 )' ) N \n ELSEIF( N .LT. 100 ) THEN\n WRITE( FL_NAME, '( ''M3_FILE_'', I2 )' ) N\n WRITE( ENV_DESC, '( ''CTM Concentration file no. '', I2 )' ) N \n ELSE\n WRITE( FL_NAME, '( ''M3_FILE_'', I3 )' ) N\n WRITE( ENV_DESC, '( ''CTM Concentration file no. '', I3 )' ) N \n ENDIF\n\n ENV_DFLT = ' ' \n CALL ENVSTR( FL_NAME, ENV_DESC, ENV_DFLT, RET_VAL, STATUS)\n\n IF( STATUS .EQ. 0 ) THEN\n If( N_M3FILES .eq. 0) M3FILE = RET_VAL\n N_M3FILES = N_M3FILES + 1\n M3_FLNAME( N_M3FILES ) = FL_NAME\n Else\n Exit\n ENDIF\n \n ENDDO\n\n IF( N_M3FILES .EQ. 0 ) THEN\n MSG = 'No CTM CONC files found'\n CALL M3ERR( PNAME, 0, 0, MSG, .TRUE. )\n ENDIF\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Open the files ccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n DO N = 1, N_M3FILES\n IF( .NOT. OPEN3( M3_FLNAME( N ), 1, PNAME) )THEN\n CALL M3EXIT( PNAME, 0 , 0,\n & 'Could not open input file ' // M3_FLNAME( N ),\n & XSTAT1 )\n ENDIF\n ENDDO \n\n RETURN\n\nC****************** FORMAT STATEMENTS ******************************\n\n92020 FORMAT( //5X, A, // )\n\n END SUBROUTINE OPEN_M3FILES\n\n \n END MODULE M3FILES\n" }, { "path": "POST/sitecmp/src/module_grid.F", "content": "\n!-----------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies!\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!-----------------------------------------------------------------------!\n\n! RCS file, release, date & time of last delta, author, state, [and locker]\n! $Header: /home/sjr/cvs2git/TOOLS/src/sitecmp/module_grid.F,v 1.4 2011/10/21 14:41:32 sjr Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC*************************************************************************\nC\nC MODULE: defines a grid class\nC \nC*************************************************************************\n MODULE GRID_DATA\n\n TYPE GRID\n\n INTEGER :: NCOLS\n INTEGER :: NROWS\n INTEGER :: GDTYP\n\n REAL*8 :: P_ALP\n REAL*8 :: P_BET\n REAL*8 :: P_GAM\n REAL*8 :: XCENT\n REAL*8 :: YCENT\n REAL*8 :: XORIG\n REAL*8 :: YORIG\n REAL*8 :: XCELL\n REAL*8 :: YCELL\n\n END TYPE GRID\n\n TYPE ( GRID ) M3GRID\n\n CONTAINS\n\n SUBROUTINE GET_M3GRID\nC*************************************************************************\nC\nC FUNCTION: To set grid data\nC \nC*************************************************************************\n USE M3FILES\n USE M3UTILIO\n\n IMPLICIT NONE \n\nC..ARGUMENTS: None\n\nC..PARAMETERS: None\n\nC..EXTERNAL FUNCTIONS: None\n\nC..SAVED LOCAL VARIABLES: None\n\nC..SCRATCH LOCAL VARIABLES:\n CHARACTER*16 PNAME ! Program Name\n\n INTEGER N ! Loop index\n INTEGER STATUS ! Status code\n\nC**********************************************************************\n DATA PNAME / 'GET_GRID' /\n\n IF ( .NOT. DESC3( M3_FLNAME( 1 ) ) ) THEN\n CALL M3EXIT( PNAME, 0, 0,\n & 'Could not get ' // M3_FLNAME( 1 ) //\n & ' file description', XSTAT1 )\n ENDIF\n\n M3GRID % NCOLS = NCOLS3D\nc M3GRID % NROWS = NCOLS3D\n M3GRID % NROWS = NROWS3D\n M3GRID % GDTYP = GDTYP3D\n\n M3GRID % P_ALP = P_ALP3D\n M3GRID % P_BET = P_BET3D\n M3GRID % P_GAM = P_GAM3D\n M3GRID % XCENT = XCENT3D\n M3GRID % YCENT = YCENT3D\n M3GRID % XORIG = XORIG3D\n M3GRID % YORIG = YORIG3D\n M3GRID % XCELL = XCELL3D\n M3GRID % YCELL = YCELL3D\n\n RETURN\n\n END SUBROUTINE GET_M3GRID\n\n END MODULE GRID_DATA\n" }, { "path": "POST/sitecmp/src/module_sites.F", "content": "C***********************************************************************\nC Portions of Models-3/CMAQ software were developed or based on *\nC information from various groups: Federal Government employees, *\nC contractors working on a United States Government contract, and *\nC non-Federal sources (including research institutions). These *\nC research institutions have given the Government permission to *\nC use, prepare derivative works, and distribute copies of their *\nC work in Models-3/CMAQ to the public and to permit others to do *\nC so. EPA therefore grants similar permissions for use of the *\nC Models-3/CMAQ software, but users are requested to provide copies *\nC of derivative works to the Government without restrictions as to *\nC use by others. Users are responsible for acquiring their own *\nC copies of commercial software associated with Models-3/CMAQ and *\nC for complying with vendor requirements. Software copyrights by *\nC the MCNC Environmental Modeling Center are used with their *\nC permissions subject to the above restrictions. *\nC***********************************************************************\n\nC*************************************************************************\nC\nC MODULE: defines site data\nC \nC*************************************************************************\n MODULE SITE_DATA\n\n INTEGER NSITES\n\n CHARACTER*256 SITE_FNAME \n\n CHARACTER*20, ALLOCATABLE :: SITE( : )\n CHARACTER*25, ALLOCATABLE :: STATE( : )\n CHARACTER*25, ALLOCATABLE :: COUNTY( : )\n INTEGER, ALLOCATABLE :: POC( : )\n\n INTEGER, ALLOCATABLE :: TZ( : ) \n INTEGER, ALLOCATABLE :: COL( : )\n INTEGER, ALLOCATABLE :: ROW( : )\n\n REAL, ALLOCATABLE :: LAT( : ) \n REAL, ALLOCATABLE :: LON( : ) \n REAL, ALLOCATABLE :: SX( : ) \n REAL, ALLOCATABLE :: SY( : ) \n REAL, ALLOCATABLE :: ELEV( : ) \n\n\n CONTAINS\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Subroutine to get data from file type 1\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n SUBROUTINE FL_TYP1\nC*************************************************************************\nC\nC FUNCTION: To provide site data\nC \nC*************************************************************************\n USE ENV_VARS\n USE M3UTILIO\n\n IMPLICIT NONE \n\n \nC..ARGUMENTS: None\n\nC..PARAMETERS: None\n\nC..EXTERNAL FUNCTIONS:\n INTEGER getNumberOfFields\n\nC..SAVED LOCAL VARIABLES: None\n\nC..SCRATCH LOCAL VARIABLES:\n CHARACTER*300 RECORD ! input record buffer\n CHARACTER*80 FIELD ! input field\n CHARACTER*80 FIELD1 \n CHARACTER*80 FIELD2 \n CHARACTER*16 ENV_DFLT ! Environment variable default value\n CHARACTER*16 PNAME ! Program Name\n CHARACTER*80 ENV_DESC ! Environment variable description\n CHARACTER*80 MSG ! Error message\n CHARACTER*256 RET_VAL ! Returned value of environment variable\n\n INTEGER NFIELDS\n INTEGER LFN \n INTEGER N, J \n INTEGER NN \n INTEGER STATUS \n INTEGER TZONE \n\n Integer numsites\n Character*(20) :: prevSite\n Integer :: prevPOC\n Character*(20), allocatable :: idfld(:)\n Character*(25), allocatable :: statefld(:)\n Character*(25), allocatable :: countyfld(:)\n Integer , allocatable :: pocfld(:,:)\n Real, allocatable :: lonfld(:)\n Real, allocatable :: latfld(:)\n Real, allocatable :: elevfld(:)\n Integer, allocatable :: npoc(:)\n Integer, allocatable :: tzfld(:)\n Logical, allocatable :: active(:) \n LOGICAL IS_CSV \n\n Integer :: siteField\n Integer :: latField\n Integer :: lonField\n Integer :: stateField\n Integer :: countyField\n Integer :: elevField\n Integer :: tzField\n Integer :: pocField\n Integer :: iPOC\n Integer :: t\n Character*(10) :: ftypes(10)\n Character*(10) :: sitehdrs(10)\n\n Data ftypes /'CASTNET', 'SEARCH', 'IMPROVE', 'NADP', 'AIRMON', 'STN', \n & 'MDN', 'MET', 'DEARS', 'OUTPUT'/\n\n Data sitehdrs /'SITE_ID', 'SITE_ID', 'SITE_CODE', 'SITEID', 'SITE', 'SITE',\n & 'SITEID', 'SITE_ID', 'PID', 'SITEID'/\n\nC**********************************************************************\n DATA PNAME / 'FL_TYP1' /\n LFN = JUNIT()\n SITE_FNAME = SITE_FILE\n\n OPEN(unit=lfn, file=SITE_FNAME, status='old', iostat=status)\n if(status.ne.0) then\n MSG = 'Cannot open site file:' // trim(SITE_FNAME)\n CALL M3ERR( PNAME, 0, 0, MSG, .TRUE. )\n endif\n\n ! read the first line to determine whether this site file\n ! is using tab-delimited (no header line) or csv format\n \n READ( LFN, '(A)', iostat=status ) RECORD\n if(status.ne.0) then\n MSG = 'Cannot read first line of site file:' // trim(SITE_FNAME)\n CALL M3ERR( PNAME, 0, 0, MSG, .TRUE. )\n endif\n nfields = getNumberOfFields(record, \",\")\n if (nfields .le. 1) then\n IS_CSV = .FALSE. !assume tab delimited site file, no comma in first line\n else\n IS_CSV = .TRUE. !assume csv site file, commas in first line.\n !find columns for stat_id, lat, lon, \n !timezone, elevation, state, county\n \n endif\n REWIND( LFN )\n\n\n ! read file to determine number of sites and metadata\n \n IF (.NOT.IS_CSV) THEN \n write(*,'(''ASSUMING TAB-DELIMITED SITE FILE: '',a)') trim(SITE_FNAME)\n numsites = 0\n DO\n READ( LFN, '(A)', iostat=status ) RECORD\n if(status.ne.0) EXIT\n Call getField(record, char(9), 1, field)\n nfields = getNumberOfFields(record, char(9))\n IF(nfields.ge.3 .and. LEN_TRIM(field).ge.2) numsites = numsites + 1\n ENDDO\n \n if( numsites.eq.0 ) then\n write(*,'(''**ERROR**, No sites found in site file:'',a)') trim(SITE_FNAME)\n Stop\n endif\n\n \n ALLOCATE( idfld( numsites ), lonfld( numsites ), latfld( numsites ) )\n ALLOCATE( tzfld( numsites ), active( numsites), pocfld( numsites , 99) )\n ALLOCATE( npoc( numsites ) , elevfld (numsites), statefld (numsites) )\n ALLOCATE( countyfld( numsites ) )\n \n npoc = 0\n active = .false.\n pocfld = 1 !default POC is 1\n elevfld = -999. !default elevation is missing\n statefld = \"NotAvailable\" !default state name\n countyfld = \"NotAvailable\" !default state name\n\n REWIND( LFN )\n ! read all site data from LFN\n N = 0\n DO\n READ( LFN, '(A)', iostat=status ) RECORD\n if( status.ne.0 ) EXIT\n\n nfields = getNumberOfFields(record, char(9))\n Call getField(record, char(9), 1, field)\n IF(nfields.ge.3 .and. LEN_TRIM(field).ge.2) THEN\n N = N + 1\n idfld( N ) = field\n Call getField(record, char(9), 2, field)\n read(field,'(f16.0)',iostat=status) lonfld(n)\n if( status.ne.0 ) then\n write(*,'(''**WARNING** Invalid site record:'',a)') TRIM(record)\n CYCLE\n endif\n\n Call getField(record, char(9), 3, field)\n read(field,'(f16.0)',iostat=status) latfld(n)\n if( status.ne.0 ) then\n write(*,'(''**WARNING** Invalid site record:'',a)') TRIM(record)\n CYCLE\n endif\n\n ! compute Time zone offset from longitude\n tzfld(n) = -(lonfld(n)+7.5) / 15\n\n ! try to read Time zone offset from field 4\n if(nfields.eq.4) then\n Call getField(record, char(9), 4, field)\n READ(field, '(BN,i10)', iostat=status) tzone\n if(status.eq.0 .and. field.ne.' ') tzfld(n) = tzone\n endif\n\n endif\n enddo\n\n close(unit=LFN)\n \n ELSE !csv-formatted site file\n \n write(*,'(''ASSUMING CSV SITE FILE: '',a)') trim(SITE_FNAME)\n \n numsites = 0\n \n ! read header line first to find the position of the \n ! lat, lon, time zone, state,county, and elevation fields\n \n\n siteField = 0\n stateField = 0\n countyField = 0\n latField = 0\n lonField = 0\n elevField = 0\n tzField = 0\n\n read(lfn,'(a)',iostat=status) record\n if( status.ne.0 ) then\n write(*,'(''**ERROR** Invalid table header in table file'')')\n Stop\n endif\n\n call UCASE( record )\n call rmCommas(record)\n nfields = getNumberOfFields(record, ',')\n \n Do n=1,nfields\n call getField(record, ',', n, field)\n call rmQuots( field )\n call LeftTrim(field)\n if( INDEX(field,'STAT_ID').gt.0 ) then\n siteField = n\n exit\n endif\n EndDo\n\n Do n=1,nfields\n call getField(record, ',', n, field)\n call rmQuots( field )\n call LeftTrim(field)\n if( INDEX(field,'LAT').gt.0 ) then\n latField = n\n exit\n endif\n EndDo\n\n Do n=1,nfields\n call getField(record, ',', n, field)\n call rmQuots( field )\n call LeftTrim(field)\n if( INDEX(field,'LON').gt.0 ) then\n lonField = n\n exit\n endif\n EndDo\n\n\n Do n=1,nfields\n call getField(record, ',', n, field)\n call rmQuots( field )\n call LeftTrim(field)\n if( INDEX(field,'ELEVATION').gt.0 ) then\n elevField = n\n exit\n endif\n EndDo\n\n\n Do n=1,nfields\n call getField(record, ',', n, field)\n call rmQuots( field )\n call LeftTrim(field)\n if( INDEX(field,'STATE').gt.0 ) then\n stateField = n\n exit\n endif\n EndDo\n\n\n Do n=1,nfields\n call getField(record, ',', n, field)\n call rmQuots( field )\n call LeftTrim(field)\n if( INDEX(field,'COUNTY').gt.0 ) then\n countyField = n\n exit\n endif\n EndDo\n\n\n Do n=1,nfields\n call getField(record, ',', n, field)\n call rmQuots( field )\n call LeftTrim(field)\n if( INDEX(field,'GMT_OFFSET').gt.0 ) then\n tzField = n\n exit\n endif\n EndDo\n\n if( ( siteField .eq. 0 ) .or. ( latField .eq. 0 ) .or. \n * ( lonField .eq. 0 ) ) then\n write(*,'(''**ERROR**, stat_id, lat, and/or lon column ''//''\n * missing in:'',a)') trim(SITE_FNAME)\n Stop\n endif\n \n ! done reading and processing header line, now read station data\n \n DO\n READ( LFN, '(A)', iostat=status ) RECORD\n if(status.ne.0) EXIT\n Call getField(record, ',' , siteField, field)\n nfields = getNumberOfFields(record, ',' )\n IF(nfields.ge.3 .and. LEN_TRIM(field).ge.2) numsites = numsites + 1\n ENDDO\n \n if( numsites.eq.0 ) then\n write(*,'(''**ERROR**, No sites found in site file:'',a)') trim(SITE_FNAME)\n Stop\n endif\n\n \n ALLOCATE( idfld( numsites ), lonfld( numsites ), latfld( numsites ) )\n ALLOCATE( tzfld( numsites ), active( numsites), pocfld( numsites , 99) )\n ALLOCATE( npoc( numsites ) , elevfld (numsites), statefld (numsites) )\n ALLOCATE( countyfld( numsites ) )\n \n npoc = 0\n active = .false.\n pocfld = 1 !default POC is 1\n elevfld = -999. !default elevation is missing\n statefld = \"NotAvailable\" !default state name\n countyfld = \"NotAvailable\" !default state name\n\n REWIND( LFN )\n \n ! read header line\n read(lfn,'(a)',iostat=status) record\n if( status.ne.0 ) then\n write(*,'(''**ERROR** Invalid table header in table file'')')\n Stop\n endif\n\n ! read all site data from LFN\n N = 0\n DO\n READ( LFN, '(A)', iostat=status ) RECORD\n if( status.ne.0 ) EXIT\n \n Call getField(record, ',', siteField, field)\n call rmQuots( field )\n \n IF(LEN_TRIM(field).ge.2) THEN\n N = N + 1\n idfld( N ) = field\n\n Call getField(record, ',', lonField, field)\n call rmQuots( field )\n read(field,'(f16.0)',iostat=status) lonfld(n)\n if( status.ne.0 ) then\n write(*,'(''**WARNING** Invalid site record for lon:'',a)') TRIM(record)\n write(*,'(''**WARNING** field = '',a)') TRIM(field)\n CYCLE\n endif\n\n Call getField(record, ',', latField, field)\n call rmQuots( field )\n read(field,'(f16.0)',iostat=status) latfld(n)\n if( status.ne.0 ) then\n write(*,'(''**WARNING** Invalid site record for lat:'',a)') TRIM(record)\n write(*,'(''**WARNING** field = '',a)') TRIM(field)\n CYCLE\n endif\n\n if (stateField .gt. 0) then\n Call getField(record, ',', stateField, field)\n call rmQuots( field )\n statefld( N ) = field\n endif\n \n if (countyField .gt. 0) then\n Call getField(record, ',', countyField, field)\n call rmQuots( field )\n countyfld( N ) = field\n endif\n \n\n if (elevField .gt. 0) then\n Call getField(record, ',', elevField, field)\n call rmQuots( field )\n read(field,'(f16.0)',iostat=status) elevfld(n)\n if( status.ne.0 ) then\n write(*,'(''**WARNING** Invalid site record for elev:'',a)') TRIM(record)\n write(*,'(''**WARNING** field = '',a)') TRIM(field)\n CYCLE\n endif\n endif\n\n ! compute Time zone offset from longitude\n tzfld(n) = -(lonfld(n)+7.5) / 15\n\n ! try to read Time zone offset from field 4\n if (tzField .gt. 0) then\n Call getField(record, ',', tzField, field)\n call rmQuots( field )\n READ(field, '(BN,i10)', iostat=status) tzone\n if(status.eq.0 .and. field.ne.' ') tzfld(n) = tzone\n endif\n\n endif\n enddo\n\n close(unit=LFN)\n \n ENDIF !tab-delimited or csv site file\n \n write(*,'(i6,'' total sites read'')') numsites\n\n OPEN(unit=lfn, file=IN_TABLE, status='old', iostat=status)\n if(status.ne.0) then\n MSG = 'Cannot open IN_TABLE:' // trim(IN_TABLE)\n CALL M3ERR( PNAME, 0, 0, MSG, .TRUE. )\n endif\n\n ! find table type index t\n do n=1,SIZE(ftypes)\n if( TABLE_TYPE.eq.ftypes(n) ) t = n\n enddo\n\n ! determine location of site field in table file\n siteField = 0\n pocField = 0\n\n do\n read(lfn,'(a)',iostat=status) record\n if( status.ne.0 ) then\n write(*,'(''**ERROR** Invalid table header in table file'')')\n Stop\n endif\n\n call UCASE( record )\n call rmCommas(record)\n nfields = getNumberOfFields(record, ',')\n\n if( nfields.lt.3 ) CYCLE\n\n if( INDEX(record,TRIM(sitehdrs(t))).gt.0 ) then\n Do n=1,nfields\n call getField(record, ',', n, field)\n call rmQuots( field )\n call LeftTrim(field)\n if( INDEX(field,TRIM(sitehdrs(t))).gt.0 ) siteField = n\n if( INDEX(field,'POCODE').gt.0 ) pocField = n\n EndDo\n EndIf\n if( siteField.gt.0 ) EXIT\n enddo\n \n ! read table file and check for active sites\n prevSite = ' '\n prevPOC = 0\n do\n read(lfn,'(a)',iostat=status) record\n if( status.ne.0 ) EXIT\n call rmCommas(record)\n\n Call getField(record, ',', siteField, field1 )\n if ( pocField .gt. 0 ) then\n Call getField(record, ',', pocField, field2 )\n else\n field2 = '1' !use 1 as default parameter occurrence code\n endif\n \n call rmQuots( field1 )\n call rmQuots( field2 )\n read(field2,*) iPOC\n \n if (( TRIM(field1) .eq. TRIM(prevSite) ) .and. ( iPOC .eq. prevPOC )) CYCLE\n\n do n=1,numsites\n if( TRIM(field1) .eq. TRIM(idfld(n)) ) then\n active(n) = .true.\n npoc(n) = npoc(n) + 1\n pocfld(n,npoc(n)) = iPOC\n EXIT\n endif\n enddo\n prevSite = field1\n prevPOC = iPOC\n enddo\n\n ! count number of active sites\n nsites = 0\n do n=1,numsites\n if( active(n) ) then\n do j = 1, npoc(n)\n nsites = nsites + 1\n enddo !nn\n endif\n enddo\n\n\n ! build list of active sites\n ALLOCATE( SITE( nsites ), POC( nsites ), TZ( nsites ), LON( nsites ), LAT( nsites ) )\n ALLOCATE( STATE( nsites ), COUNTY( nsites ), ELEV( nsites ) )\n\n nn = 0\n do n=1,numsites\n if( active(n) ) then\n do j = 1, npoc(n)\n nn = nn + 1\n SITE(nn) = idfld(n)\n STATE(nn) = statefld(n)\n COUNTY(nn) = countyfld(n)\n POC(nn) = pocfld(n,j)\n TZ(nn) = tzfld(n)\n LON(nn) = lonfld(n)\n LAT(nn) = latfld(n)\n ELEV(nn) = elevfld(n)\n enddo !j\n endif\n enddo !n\n\n\n write(*,'(i6,'' active sites loaded'')') NSITES\n\n close(lfn)\n RETURN\n\n END SUBROUTINE FL_TYP1\n\n\n SUBROUTINE SET_SITE_LOC\n\nC*************************************************************************\nC\nC FUNCTION: Finds the col and row location of each site\nC \nC*************************************************************************\n USE ENV_VARS\n USE M3FILES\n USE M3UTILIO\n USE GRID_DATA\n IMPLICIT NONE \n\nC..ARGUMENTS: None\n\nC..PARAMETERS: None\n\nC..SAVED LOCAL VARIABLES: None\n\nC..SCRATCH LOCAL VARIABLES:\n CHARACTER*24 CRDATE ! Create date\n CHARACTER*80 MSG ! Log message\n CHARACTER*16 PNAME ! Program Name\n CHARACTER*256 RET_VAL ! Returned value of environment variable\n\n INTEGER C, R, N ! Loop indices\n INTEGER IOUT ! Output file unit number\n INTEGER JDATE ! Create date YYYYDDD\n INTEGER JTIME ! Create timeHHMMSS\n\n REAL LATIN ! Input lat\n REAL LONIN ! Input lon\n REAL X ! x-coordinate for lambert projection\n REAL Y ! y-coordinate for lambert projection\n REAL XW, XE ! X-coordinates of grid cell edges \n REAL YS, YN ! Y-coordinates of grid cell edges \n LOGICAL PROJ ! projection is supported\n \nC**********************************************************************\n DATA PNAME / 'SET_SITE_LOC' /\n DATA PROJ / .FALSE. /\n\n ALLOCATE( COL( NSITES ), ROW( NSITES ), SX( NSITES ), SY( NSITES ) )\n\n Call SETPROJ( GDTYP3D, Real(M3GRID%P_ALP),Real(M3GRID%P_BET),\n & Real(M3GRID%P_GAM),Real(M3GRID%XCENT),Real(M3GRID%YCENT) )\n\nC process each site\n DO N = 1, NSITES\n\nc..for now make sure longitude is negative\n LONIN = LON( N )\n LATIN = LAT( N )\n \nc..get the x,y coordinates \n Call ToProj(GDTYP3D, LONIN, LATIN, X, Y)\n\nc..save x,y cooridinates\n SX( N ) = X\n SY( N ) = Y\n\nc..find the column location \n COL( N ) = 0\n DO C = 1, NCOLS3D\n XW = M3GRID % XORIG + FLOAT( C - 1 ) * M3GRID % XCELL \n XE = XW + M3GRID % XCELL\n IF( X .GE. XW .AND. X .LT. XE ) COL( N ) = C\n ENDDO\n\nc..find the row location \n ROW( N ) = 0\n DO R = 1, NROWS3D\n YS = M3GRID % YORIG + FLOAT( R - 1 ) * M3GRID % YCELL \n YN = YS + M3GRID % YCELL\n IF( Y .GE. YS .AND. Y .LT. YN ) ROW( N ) = R\n ENDDO\n\n ! Write(*,'(a,2f10.4,2i5)') SITE(N),LON(N),LAT(N), COL(N), ROW(N)\n ENDDO\n\n RETURN\n\n92000 FORMAT( '! INPUT M3 FILE ', I2, ': ', A )\n92020 FORMAT( '! INPUT SITE FILE: ', A )\n92040 FORMAT( '! SITEID STATE REGION LON LAT COL ROW X Y ' )\n92060 FORMAT( A9, 1X, A2, 1X, A2, F8.3, 1X, F8.3, 1X, I3, 1X, I3, 2F15.2 )\n\n END SUBROUTINE SET_SITE_LOC\n\nC function to find the index number of a site\n Integer Function getSiteNumber( id1, id2 ) result (siteNo)\n\n CHARACTER*(*) :: id1, id2\n Integer :: i\n\n ! local variables\n Character*(20), save :: prevId1\n Integer, save :: prevId2\n Integer, save :: prevNo\n Integer :: iPOC\n\n siteNo = -1\n read(id2,*) iPOC \n \n ! check for repeat\n if (( id1 .eq. prevId1 ) .and. ( iPOC .eq. prevId2 )) then\n siteNo = prevNo\n return\n endif\n\n ! search list for match \n do i=1,NSITES\n if (( TRIM(id1) .eq. TRIM(SITE(I)) ) .and. \n * ( iPOC .eq. POC(I) )) then\n siteNo = i\n\n ! save for next lookup\n prevId1 = id1\n prevId2 = iPOC\n prevNo = siteNo\n return\n endif\n Enddo \n \n !Write(*,'('' cannot find match for site '',a)') id1\n Return\n End Function getSiteNumber\n\n\nC function to return latitude value for site n\n Real Function getLatitude( id ) result (latitude)\n\n if(id .le. size(LAT)) Then\n latitude = lat(id)\n else\n latitude = -999\n endif\n\n Return\n End Function getLatitude\n \n\nC function to return longitude value for site n\n Real Function getLongitude( id ) result (longitude)\n\n if(id .le. size(LON)) Then\n longitude = lon(id)\n else\n longitude = -999\n endif\n\n Return\n End Function getLongitude\n\n\n !****************************************************************************\n ! routine to set map projection\n !****************************************************************************\n Subroutine SetProj(gdtype, alpha, beta, gamma, xcent, ycent)\n\n USE M3UTILIO\n\n IMPLICIT NONE\n\n ! arguments\n Integer gdtype\n Real alpha, beta, gamma, xcent, ycent\n\n ! check for LAT/LON projection\n if( gdtype .eq. 1 ) then\n return\n endif\n\n ! check for lambert projection\n if( gdtype .eq. 2 ) then\n if( .NOT. SETLAM( alpha, beta, gamma, xcent, ycent) ) then\n Call m3exit ('sitecmp', 0, 0, 'Lambert projection setup error', xstat2)\n endif\n return\n endif\n\n ! check for Polar projection\n if( gdtype .eq. 6 ) then\n if( .NOT. SETPOL( alpha, beta, gamma, xcent, ycent) ) then\n Call m3exit ('sitecmp', 0, 0, 'Polar projection setup error', xstat2)\n endif\n return\n endif\n\n ! check for equatorial mercator projection\n if( gdtype .eq. 7 ) then\n if( .NOT. SETEQM( alpha, beta, gamma, xcent, ycent) ) then\n Call m3exit ('sitecmp', 0, 0, 'Equatorial mercator projection setup error', xstat2)\n endif\n return\n endif\n\n\n Call m3exit ('sitecmp', 0, 0, 'Unsupported map projection', xstat2)\n\n end Subroutine SetProj\n\n\n !C****************************************************************************\n !C routine to compute map projection from LAT/LON\n !C****************************************************************************\n Subroutine ToProj(gdtype, longitude, latitude, x, y)\n\n USE M3UTILIO\n\n IMPLICIT NONE\n\n ! arguments\n Integer gdtype\n Real longitude, latitude, x, y\n\n ! check for LAT/LON projection\n if( gdtype .eq. 1 ) then\n x = longitude\n y = latitude\n return\n endif\n\n ! check for lambert projection\n if( gdtype .eq. 2 ) then\n if(.NOT.LL2LAM(longitude, latitude, x, y) ) then\n Call m3exit('sitecmp', 0, 0, 'Lat/Lon to Lambert error', xstat2)\n endif\n return\n endif\n\n ! check for polar projection\n if( gdtype .eq. 6 ) then\n if(.NOT.LL2POL(longitude, latitude, x, y) ) then\n Call m3exit('sitecmp', 0, 0, 'Lat/Lon to Polar error', xstat2)\n endif\n return\n endif\n\n ! check for polar projection\n if( gdtype .eq. 7 ) then\n if(.NOT.LL2EQM(longitude, latitude, x, y) ) then\n Call m3exit('sitecmp', 0, 0, 'Lat/Lon to equatorial mercator error', xstat2)\n endif\n return\n endif\n\n Call m3exit ('sitecmp', 0, 0, 'Unsupported map projection', xstat2)\n\n end Subroutine ToProj\n\n\n !C****************************************************************************\n !C routine to compute LAT/LON from map projection\n !C****************************************************************************\n Subroutine ToLL(gdtype, x, y, longitude, latitude)\n\n USE M3UTILIO\n\n IMPLICIT NONE\n\n ! arguments\n Integer gdtype\n Real longitude, latitude, x, y\n\n ! check for LAT/LON projection\n if( gdtype .eq. 1 ) then\n longitude = x\n latitude = y\n return\n endif\n\n ! check for lambert projection\n if( gdtype .eq. 2 ) then\n if(.NOT.LAM2LL(x, y, longitude, latitude) ) then\n Call m3exit('sitecmp', 0, 0, 'Lat/Lon to Lambert error', xstat2)\n endif\n return\n endif\n\n ! check for polar projection\n if( gdtype .eq. 6 ) then\n if(.NOT.POL2LL(x, y, longitude, latitude) ) then\n Call m3exit('sitecmp', 0, 0, 'Lat/Lon to Polar error', xstat2)\n endif\n return\n endif\n\n ! check for equatorial mercator projection\n if( gdtype .eq. 7 ) then\n if(.NOT.EQM2LL(x, y, longitude, latitude) ) then\n Call m3exit('sitecmp', 0, 0, 'Lat/Lon to equatorial mercator error', xstat2)\n endif\n return\n endif\n\n Call m3exit ('sitecmp', 0, 0, 'Unsupported map projection', xstat2)\n\n end Subroutine ToLL\n\n END MODULE SITE_DATA\n" }, { "path": "POST/sitecmp/src/module_spec.F", "content": "\n!-----------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies!\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!-----------------------------------------------------------------------!\n\n! RCS file, release, date & time of last delta, author, state, [and locker]\n! $Header: /home/sjr/cvs2git/TOOLS/src/sitecmp/module_spec.F,v 1.4 2011/10/21 14:41:32 sjr Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC*************************************************************************\nC\nC MODULE: defines a set of species variables for output\nC \nC*************************************************************************\n MODULE SPECIES_DEF\n\n TYPE SPEC_VAR\n\n CHARACTER(len=512) OBS_EXPRESSION\n CHARACTER(len=16) OBS_UNITS\n INTEGER OBS_NUMSPEC\n CHARACTER(len=36) OBS_NAME(20)\n REAL OBS_FACTOR(20)\n INTEGER OBS_FIELD(20)\n LOGICAL OBS_OPTNAL(20)\n\n CHARACTER(len=512) MOD_EXPRESSION\n CHARACTER(len=16) MOD_UNITS\n INTEGER MOD_NUMSPEC\n CHARACTER(len=36) MOD_NAME(20)\n REAL MOD_FACTOR(20)\n\n CHARACTER(len=2) OP_CODE\n\n END TYPE SPEC_VAR\n\n TYPE ( SPEC_VAR ) SPECVARS(300)\n INTEGER NSPECVAR\n\n CONTAINS\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC ROUTINE TO GET SPECIES DEFINITIONS FROM ENVIRONMENT VARIABLES\nC\nC VARIABLE FORMAT obs_expression, obs_units, mod_expression, mod_units, [output name]\nC\nC expressions are in the format (f1*s1 + f2*s2 +...+f10*s10)\nCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC\n SUBROUTINE GET_SPECS\n\n IMPLICIT NONE \n \n !Extrenal functions\n INTEGER getParsedNumber\n\n ! local variables\n INTEGER N, I, K\n INTEGER STATUS, split \n CHARACTER(LEN=32) VARNAME\n CHARACTER(LEN=1024) RECORD\n CHARACTER(LEN=1024) FIELD \n CHARACTER(LEN=2) operation(6)\n CHARACTER(LEN=6) varType(6)\n\n\n ! OPERATION codes\n ! AV - average\n ! AC - accumulate\n ! WD - wet deposition\n ! WC - wet concentration\n DATA OPERATION/'CH','AV','AV','WD','WC','AC'/\n DATA varType/'CHAR','AERO','GAS','WETDEP','WETCON','PREC'/\n\n NSPECVAR = 0\n DO k=1,SIZE(varType)\n DO N=1,300\n\n ! build VARNAME\n IF( N.le.9 ) THEN\n WRITE(VARNAME,'(A,''_'',I1)') TRIM(varType(k)), N\n ELSE\n WRITE(VARNAME,'(A,''_'',I2)') TRIM(varType(k)), N\n ENDIF\n \n ! GET DEFINITION RECORD\n CALL ENVSTR( VARNAME, 'Species Variable definition', 'Not Used', RECORD, STATUS)\n IF( STATUS .NE. 0 ) EXIT \n NSPECVAR = NSPECVAR + 1\n\n ! truncate record at ! character\n split = index(record, '!')\n if( split.gt.0 ) then\n record = record(1:split-1)\n endif\n\n !PARSE RECORD \n if( getParsedNumber(record, ',') .eq. 0 ) Then\n CALL M3ERR( 'GET_SPECS', 0, 0,'Syntax error on variable definition '//\n & TRIM(varname), .TRUE. )\n Endif\n\n ! parse field 1 of record to get obs_name\n Call getParsedField( record, ',', 1, field, .false. ) \n SPECVARS(NSPECVAR)%OBS_EXPRESSION = TRIM(field)\n\n ! check for Character species\n if( varType(k).eq.'CHAR' ) then\n SPECVARS(NSPECVAR)%OBS_UNITS = ' ' \n SPECVARS(NSPECVAR)%OBS_NUMSPEC = 1\n SPECVARS(NSPECVAR)%OBS_NAME(1) = field\n SPECVARS(NSPECVAR)%OBS_FACTOR(1) = 1.0 \n SPECVARS(NSPECVAR)%OBS_OPTNAL(1) = .FALSE.\n SPECVARS(NSPECVAR)%MOD_EXPRESSION = ' '\n SPECVARS(NSPECVAR)%MOD_UNITS = ' '\n SPECVARS(NSPECVAR)%OP_CODE = OPERATION(K)\n CYCLE\n endif \n\n Call parseObsSpecies(SPECVARS(NSPECVAR), status)\n if( status .ne. 0 ) Then\n CALL M3ERR( 'GET_SPECS', 0, 0,'Syntax error on variable definition '//\n & TRIM(varname), .TRUE. )\n Endif \n \n ! parse field 2 of record to get obs_units\n Call getParsedField( record, ',', 2, field, .false. ) \n if( LEN_TRIM(field) .gt. 0 ) then\n SPECVARS(NSPECVAR)%OBS_UNITS = field\n Else\n SPECVARS(NSPECVAR)%OBS_UNITS = ' '\n Endif\n\n ! parse field 3 of record to model species\n Call getParsedField( record, ',', 3, field, .false. ) \n SPECVARS(NSPECVAR)%MOD_EXPRESSION = field\n Call parseModSpecies(SPECVARS(NSPECVAR), status)\n if( status .ne. 0 ) Then\n CALL M3ERR( 'GET_SPECS', 0, 0,'Syntax error on variable definition '//\n & TRIM(varname), .TRUE. )\n Endif \n \n ! parse field 4 of record to get model_units\n Call getParsedField( record, ',', 4, field, .false. ) \n if( LEN_TRIM(field) .gt. 0 ) then\n SPECVARS(NSPECVAR)%MOD_UNITS = field\n Else\n SPECVARS(NSPECVAR)%MOD_UNITS = ' '\n Endif\n\n ! parse field 5 of record to get output name\n Call getParsedField( record, ',', 5, field, .false. ) \n if( LEN_TRIM(field) .gt. 0 ) then\n SPECVARS(NSPECVAR)%MOD_EXPRESSION = field\n SPECVARS(NSPECVAR)%OBS_EXPRESSION = field\n endif\n\n ! set operation code\n SPECVARS(NSPECVAR)%OP_CODE = OPERATION(K)\n\n ENDDO\n ENDDO\n\n END SUBROUTINE GET_SPECS\n\n\nC*************************************************************************\nC routine to parse observed species from character record\nC*************************************************************************\n SUBROUTINE parseObsSpecies(VAR, status)\n\n IMPLICIT NONE \n \n !Extrenal functions\n INTEGER getParsedNumber\n\n !arguments\n TYPE (SPEC_VAR) VAR\n INTEGER STATUS \n\n ! local variables\n INTEGER N \n INTEGER I \n CHARACTER(LEN=36) VARNAME \n CHARACTER(LEN=256) FIELD \n CHARACTER(LEN=36) factorFld\n CHARACTER(LEN=36) speciesFld \n\n ! set status flag to zero\n status = 0\n\n ! if record is blank, set NUMSPEC to zero and return\n if( VAR%OBS_EXPRESSION.eq.' ' ) Then\n VAR%OBS_NUMSPEC = 0\n return\n Endif\n\n ! find number of model species for variable NSPECVAR\n VAR%OBS_NUMSPEC = getParsedNumber(VAR%OBS_EXPRESSION, '+-')\n\n ! check if maximum number of species execeeded\n if( VAR%OBS_NUMSPEC .gt. SIZE(VAR%OBS_NAME) ) Then\n Write(*,'(/''**ERROR** The maximum number of species in an expression exceeded'')')\n Write(*,'(a)') TRIM(VAR%OBS_EXPRESSION)\n Stop\n endif\n\n ! if no model species defined, return with error status\n if( VAR%OBS_NUMSPEC .eq. 0 ) goto 50\n \n Do N=1,VAR%OBS_NUMSPEC\n Call getParsedField( VAR%OBS_EXPRESSION, '+-', N, field, .true. ) \n\n ! determine if spec field has a factor\n if( getParsedNumber(field, '*') .gt. 1 ) then\n Call getParsedField( field, '*', 1, factorFld, .true. ) \n Call getParsedField( field, '*', 2, speciesFld, .false. ) \n Else\n ! check first character for sign \n if( Index('+-',field(1:1)) .gt.0 ) then\n factorFld = field(1:1) // '1.0'\n speciesFld = field(2:)\n Else\n factorFld = '1.0'\n speciesFld = field\n Endif\n Endif\n\n\n ! check for Optional species ( in brackets [] )\n VAR%OBS_OPTNAL(N) = .FALSE.\n Call leftTrim(speciesFld)\n if( speciesFld(1:1) .eq. '[' ) then\n VAR%OBS_OPTNAL(N) = .TRUE.\n ! remove brackets\n do i=1,LEN_TRIM( speciesFld )\n if( speciesFld(i:i).eq.'[' .or. speciesFld(i:i).eq.']' ) speciesFld(i:i) = ' '\n enddo\n endif \n\n ! speciesFld and factorFld should be defined at this point\n Call leftTrim(speciesFld)\n VAR%OBS_NAME(N) = TRIM(speciesFld)\n Read(factorFld,'(BN,f16.0)', err=50) VAR%OBS_FACTOR(N) \n EndDo\n\n Return\n\n 50 status = 1\n return\n\n END SUBROUTINE parseObsSpecies\n\n\nC*************************************************************************\nC routine to parse model species from character record\nC*************************************************************************\n SUBROUTINE parseModSpecies(VAR, status)\n\n IMPLICIT NONE \n \n !Extrenal functions\n INTEGER getParsedNumber\n\n !arguments\n TYPE (SPEC_VAR) VAR\n INTEGER STATUS \n\n ! local variables\n INTEGER N \n CHARACTER(LEN=36) VARNAME \n CHARACTER(LEN=256) FIELD \n CHARACTER(LEN=36) factorFld\n CHARACTER(LEN=36) speciesFld \n\n ! set status flag to zero\n status = 0\n\n ! if record is blank, set NUMSPEC to zero and return\n if( VAR%MOD_EXPRESSION.eq.' ' ) Then\n VAR%MOD_NUMSPEC = 0\n return\n Endif\n\n ! find number of model species for variable NSPECVAR\n VAR%MOD_NUMSPEC = getParsedNumber(VAR%MOD_EXPRESSION, '+-')\n\n ! if no model species defined, return with error status\n if( VAR%MOD_NUMSPEC .eq. 0 ) goto 50\n \n ! check if number of species exceed max\n if( VAR%MOD_NUMSPEC .gt. SIZE( VAR%MOD_NAME ) ) Then\n Write(*,'(/''**ERROR** The maximum number of species in an expression exceeded'')')\n Write(*,'(a)') TRIM(VAR%MOD_EXPRESSION)\n Stop\n endif\n \n Do N=1,VAR%MOD_NUMSPEC\n Call getParsedField( VAR%MOD_EXPRESSION, '+-', N, field, .true. ) \n\n ! determine if spec field has a factor\n if( getParsedNumber(field, '*') .gt. 1 ) then\n Call getParsedField( field, '*', 1, factorFld, .true. ) \n Call getParsedField( field, '*', 2, speciesFld, .false. ) \n Else\n ! check first character for sign \n if( Index('+-',field(1:1)) .gt.0 ) then\n factorFld = field(1:1) // '1.0'\n speciesFld = field(2:)\n Else\n factorFld = '1.0'\n speciesFld = field\n Endif\n Endif\n\n ! speciesFld and factorFld should be defined at this point\n\n Call leftTrim(speciesFld)\n VAR%MOD_NAME(N) = TRIM(speciesFld)\n Read(factorFld,'(BN,f16.0)', err=50) VAR%MOD_FACTOR(N) \n\n EndDo\n\n Return\n\n 50 status = 1\n return\n\n END SUBROUTINE parseModSpecies\n\n END MODULE SPECIES_DEF\n" }, { "path": "POST/sitecmp/src/module_tstep.F", "content": "\n!-----------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies!\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!-----------------------------------------------------------------------!\n\n! RCS file, release, date & time of last delta, author, state, [and locker]\n! $Header: /home/sjr/cvs2git/TOOLS/src/sitecmp/module_tstep.F,v 1.4 2011/10/21 14:41:33 sjr Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC*************************************************************************\nC\nC MODULE TIME_STEP: defines a time class\nC \nC*************************************************************************\n MODULE TIME_STEP\n\n INTEGER :: NSTEPS\n\n INTEGER , ALLOCATABLE :: STEP_DATE( : )\n INTEGER , ALLOCATABLE :: STEP_TIME( : )\n INTEGER , ALLOCATABLE :: STEP_FILE( : )\n\n INTEGER :: TIMESTEP\n\n CONTAINS\n\n SUBROUTINE GET_TSTEPS\nC*************************************************************************\nC\nC FUNCTION: Set-up time step sequence for reading files and writing\nC output records\nC \nC*************************************************************************\n USE M3FILES\n USE M3UTILIO\n\n IMPLICIT NONE \n\nC..ARGUMENTS: None\n\nC..PARAMETERS: None\n\nC..SAVED LOCAL VARIABLES: None\n\nC..SCRATCH LOCAL VARIABLES:\n CHARACTER*80 MSG ! Log message\n CHARACTER*16 PNAME ! Program Name\n\n INTEGER D0, D1 ! Differences betwwen two times, seconds\n INTEGER INDX ! Array location to insert new index\n INTEGER MXSTEPS ! max possible no. of time steps\n INTEGER N, NFL, NS, N2 ! Loop indices\n INTEGER JDATE ! Current date\n INTEGER JTIME ! Current time\n\n \nC**********************************************************************\n DATA PNAME / 'GET_TSTEPS' /\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get the maximum number of time steps\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n MXSTEPS = 0\n DO N = 1, N_M3FILES\n\n IF( .NOT. DESC3( M3_FLNAME( N ) ) ) THEN\n CALL M3EXIT( PNAME, 0, 0, 'Could not get ' //\n & M3_FLNAME( N ) // ' file description',\n & XSTAT1 )\n ENDIF\n\n MXSTEPS = MXSTEPS + MXREC3D\n ENDDO\n\n ALLOCATE( STEP_DATE( MXSTEPS ), STEP_TIME( MXSTEPS ), \n & STEP_FILE( MXSTEPS ) )\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Load all steps from first file\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF( .NOT. DESC3( M3_FLNAME( 1 ) ) ) THEN\n CALL M3EXIT( PNAME, 0, 0, 'Could not get ' // \n & M3_FLNAME( 1 ) // ' file description',\n & XSTAT1 )\n ENDIF\n\n JDATE = SDATE3D\n JTIME = STIME3D\n TIMESTEP = TSTEP3D\n\n NSTEPS = MXREC3D\n\n DO NS = 1, NSTEPS\n STEP_DATE( NS ) = JDATE\n STEP_TIME( NS ) = JTIME\n STEP_FILE( NS ) = 1\n CALL NEXTIME( JDATE, JTIME, TSTEP3D )\n ENDDO\n\n IF( N_M3FILES .EQ. 1 ) RETURN\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Insert non-duplicative time steps from remaining files in the array\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n MSG = 'Multiple CTM Concentration files being used' \n CALL M3MESG( MSG )\n MSG = 'Duplicate time steps will be eliminated' \n CALL M3MESG( MSG )\n\n DO NFL = 2, N_M3FILES\n\n IF ( .NOT. DESC3( M3_FLNAME( NFL ) ) ) THEN\n CALL M3EXIT( PNAME, 0, 0,\n & 'Could not get ' // M3_FLNAME( NFL ) //\n & ' file description', XSTAT1 )\n ENDIF\n\n JDATE = SDATE3D\n JTIME = STIME3D\n\n DO NS = 1, MXREC3D\n\n DO N = 1, NSTEPS\n\n INDX = 0\n D1 = SECSDIFF( STEP_DATE( N ), STEP_TIME( N ),\n & JDATE, JTIME )\n\n IF( N .EQ. 1 .AND. D1 .LT. 0 ) THEN\n INDX = 1\n ELSEIF( N .EQ. NSTEPS .AND. D1 .GT. 0 ) THEN\n INDX = NSTEPS + 1\n ELSEIF( N .GT. 1 ) THEN\n D0 = SECSDIFF( STEP_DATE( N - 1 ), STEP_TIME( N - 1 ),\n & JDATE, JTIME )\n IF( D0 .GT. 0 .AND. D1 .LT. 0 ) INDX = N\n ENDIF\n \n IF( INDX .GT. 0 ) THEN\n DO N2 = NSTEPS, INDX, -1\n STEP_DATE( N2 + 1 ) = STEP_DATE( N2 )\n STEP_TIME( N2 + 1 ) = STEP_TIME( N2 )\n ENDDO\n \n STEP_DATE( INDX ) = JDATE\n STEP_TIME( INDX ) = JTIME\n STEP_FILE( INDX ) = NFL\n NSTEPS = NSTEPS + 1\n ENDIF\n\n ENDDO\n\n IF( INDX .EQ. 0 ) WRITE( LOGUNIT, 93000) JDATE, JTIME,\n & M3_FLNAME( NFL )\n CALL NEXTIME( JDATE, JTIME, TSTEP3D )\n\n ENDDO\n\n ENDDO\n\n RETURN\n\n\n93000 FORMAT( 10X, 'Duplicate time step ignored: ', I7, 1X, I6, 1X, A )\n\n END SUBROUTINE GET_TSTEPS\n\n END MODULE TIME_STEP\n\n\n\n\n\n\n\n\n" }, { "path": "POST/sitecmp/src/parser.F", "content": "\n!-----------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies!\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!-----------------------------------------------------------------------!\n\n! RCS file, release, date & time of last delta, author, state, [and locker]\n! $Header: /home/sjr/cvs2git/TOOLS/src/sitecmp/parser.F,v 1.5 2011/10/21 14:41:33 sjr Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC***********************************************************************\nC routines for parsing a delimited text record\nC***********************************************************************\n\nC Return the number of fields in record\n INTEGER FUNCTION getNumberOfFields( record, delimiter ) result( nfields )\n\n CHARACTER*(*) record\n CHARACTER*(1) delimiter\n Integer getFieldCount\n\n Integer i\n\n ! if delimiter is space, use getFieldCount function\n if( delimiter.eq.' ') then\n nfields = getFieldCount(record, delimiter)\n return\n endif\n\n nfields = 1\n Do i=1, LEN(record)\n if( record(i:i) .eq. delimiter ) nfields = nfields+1\n EndDo\n\n Return\n End\n\nC Return the number of parsed fields in record\nC this method considers duplicate delimiters as one\n INTEGER FUNCTION getFieldCount(record, delimiter)\n & result(nfields)\n\n CHARACTER*(*) record\n CHARACTER*(*) delimiter\n\n Integer i\n Logical infield\n Logical isDel\n\n nfields = 0\n infield = .false.\n Do i=1,LEN(record)\n isDel = (record(i:i).eq.delimiter)\n\n ! check for start of field\n if( .NOT.infield .and. .NOT.isDel ) then\n nfields = nfields+1\n infield = .true.\n cycle\n endif\n\n ! check for end of field\n if( infield .and. isDel ) then\n infield = .false.\n cycle\n endif\n enddo \n \n Return\n end\n\n\nC Return the nth field of record\n Subroutine getField( record, delimiter, nth, field )\n\n CHARACTER*(*) record\n CHARACTER*(1) delimiter\n Integer nth\n CHARACTER*(*) field\n\n Integer nfields\n Integer i, pos1\n\n ! if delimiter is space, use method 2\n if( delimiter.eq.' ' ) then\n call getField2( record, delimiter, nth, field )\n call RightTrim(field)\n return\n endif\n \n pos1 = 1\n nfields = 0\n field = ''\n Do i=1, LEN(record)\n if( record(i:i) .eq. delimiter ) then\n nfields = nfields+1 \n if( nfields .eq. nth ) then\n if(pos1.lt.i) field = record(pos1:i-1)\n call RightTrim(field)\n return\n Endif\n pos1 = i+1\n Endif\n Enddo\n\n nfields = nfields+1 \n\n ! check if last field\n if( nfields .eq. nth ) then\n field = record(pos1:)\n Endif\n\n Call RightTrim(field)\n Return\n End\n \nC Return the nth field in record (method 2)\nC this method considers duplicate delimiters as one\nC\n Subroutine getField2( record, delimiter, nth, field )\n \n CHARACTER*(*) record\n CHARACTER*(*) delimiter\n Integer nth\n CHARACTER*(*) field\n \n Integer nfields\n Integer i, pos1\n Logical infield\n Logical isDel\n \n nfields = 0\n field = ''\n infield = .false.\n Do i=1,LEN(record)\n isDel = (record(i:i).eq.delimiter)\n \n ! check for start of field\n if( .NOT.infield .and. .NOT.isDel ) then \n nfields = nfields+1\n pos1 = i\n infield = .true.\n endif\n \n ! check for end of field\n if( infield .and. isDel ) then\n infield = .false.\n endif\n \n ! if end of nth field, return\n if( nfields.eq.nth .and. .not.infield ) then\n if(pos1.lt.i) field = record(pos1:i-1)\n return\n endif\n enddo\n \n ! check for last field\n if( nfields.eq.nth ) field = record(pos1:)\n \n Return\n End\n\n \nC Return the number of parsed fields in record\n INTEGER FUNCTION getParsedNumber( record, delimiter ) result( nfields )\n\n CHARACTER*(*) record\n CHARACTER*(*) delimiter\n\n Integer i\n\n nfields = 1\n Do i=1, LEN(record)\n if( index(delimiter,record(i:i)) .gt. 0 ) nfields = nfields+1\n EndDo\n\n Return\n End\n \nC Return the nth field of record\n Subroutine getParsedField( record, delimiter, nth, field, includeDel )\n\n CHARACTER*(*) record\n CHARACTER*(*) delimiter\n Integer nth\n CHARACTER*(*) field\n Logical includeDel \n\n Integer nfields\n Integer i, pos1\n \n pos1 = 1\n nfields = 0\n field = ''\n Do i=1, LEN(record)\n if( index(delimiter,record(i:i)) .gt. 0 ) then\n nfields = nfields+1 \n if( nfields .eq. nth ) then\n if( pos1.lt.i ) field = record(pos1:i-1)\n return\n Endif\n\n ! define starting point of next field\n pos1 = i+1\n if( includeDel ) pos1 = i\n \n Endif\n Enddo\n\n nfields = nfields+1 \n\n ! check if last field\n if( nfields .eq. nth ) then\n field = record(pos1:)\n Endif\n\n Return\n End\n \nC****************************************************************************\nC routine to remove leading blank spaces from Character String\nC****************************************************************************\n Subroutine LeftTrim( STRING )\n\n CHARACTER*(*) STRING\n Integer I\n\n Do I=1,LEN(STRING)\n if(STRING(I:I) .ne. CHAR(32)) Then\n STRING = STRING(I:)\n RETURN\n EndIf \n EndDo\n\n Return\n End Subroutine LeftTrim\n\nC****************************************************************************\nC routine to remove trailing white spaces from Character String\nC****************************************************************************\n Subroutine RightTrim( STRING )\n \n CHARACTER*(*) STRING\n Integer I\n \n Do I=LEN(STRING),1,-1\n if(STRING(I:I) .lt. CHAR(32)) STRING(I:I) = CHAR(32)\n if(STRING(I:I) .gt. CHAR(32)) Exit\n EndDo\n\n Return\n End Subroutine RightTrim\n\n\nC****************************************************************************\nC routine to remove quotation marks from character field\nC****************************************************************************\n Subroutine rmQuots( string )\n \n Implicit none\n \n ! arguments \n Character*(*) string\n \n Integer last, i\n \n \n call LeftTrim(string)\n last = LEN_TRIM(string)\n\n ! check for blank string\n if( last.le.0 ) return\n \n ! if no quot marks, return\n if( string(1:1).ne.'\"' .and. string(last:last).ne.'\"') return\n \n ! remove last quot mark\n string(last:last) = ' '\n \n do i=1,last-1\n string(i:i) = string(i+1:i+1)\n enddo \n \n Return \n End Subroutine rmQuots \n\nC****************************************************************************\nC routine to remove commas within quotation marks\nC****************************************************************************\n Subroutine rmCommas( string )\n\n Implicit none\n\n ! arguments\n Character*(*) string\n\n Integer last, i\n Logical infield\n\n ! if no quot marks, return\n if( index(string, '\"').le.0 ) return\n\n call LeftTrim(string)\n last = LEN_TRIM(string)\n\n ! check for blank string\n if( last.le.0 ) return\n \n infield = .false.\n\n do i=1,last\n if(string(i:i).eq.'\"') infield = .NOT.infield \n\n if( infield .and. string(i:i).eq.',') string(i:i) = ' '\n\n enddo\n\n Return\n End Subroutine rmCommas\n\n\nC***********************************************************************\nC Routine to change character string to upper characters\nC***********************************************************************\n SUBROUTINE UCASE ( STR )\n\n IMPLICIT NONE\n\n CHARACTER STR*( * )\n INTEGER I\n INTEGER K\n\n DO I = 1, LEN(STR)\n K = ICHAR(STR(I:I))\n IF ( ( K .GE. 97 ) .AND. ( K .LE. 122 ) )\n & STR( I:I ) = CHAR( K - 32 )\n END DO\n\n RETURN\n END SUBROUTINE UCASE\n\n" }, { "path": "POST/sitecmp/src/process.F", "content": "\n!-----------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies!\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!-----------------------------------------------------------------------!\n\n! RCS file, release, date & time of last delta, author, state, [and locker]\n! $Header: /home/sjr/cvs2git/TOOLS/src/sitecmp/process.F,v 1.5 2011/10/21 14:41:33 sjr Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC*************************************************************************\nC\nC code for running the site compare process\nC\nC*************************************************************************\n SUBROUTINE PROCESS\n\n\n USE M3FILES\n USE ENV_VARS\n USE GRID_DATA\n USE TIME_STEP\n USE SITE_DATA\n USE SPECIES_DEF\n\n USE M3UTILIO\n\n IMPLICIT NONE \n\nC..ARGUMENTS: None\n\nC..PARAMETERS: None\n\nC..EXTERNAL FUNCTIONS:\n INTEGER getNumberOfFields\n INTEGER str2Date\n INTEGER str2Time\n LOGICAL ISLOCAL\n Character*16 date2Str\n Character*16 date2Str_csv\n Real getSpeciesValue\n Character*16 real2Str\n\nC..SAVED LOCAL VARIABLES: None\n\nC..SCRATCH LOCAL VARIABLES:\n CHARACTER*16 PNAME ! Program Name\n CHARACTER*80 MSG ! Error message\n CHARACTER*3200 RECORD ! input buffer\n CHARACTER*3200 OUTRECORD ! output buffer\n CHARACTER*3200 FIELD ! field buffer \n CHARACTER*3200 FIELD1 ! field buffer \n CHARACTER*3200 FIELD2 ! field buffer \n CHARACTER*16 FLAG ! field code \n CHARACTER*1 delimiter ! field delimiter \n\n\n INTEGER n, i, j, k, index, in, out, siteNo, status\n CHARACTER*16 UNITS ! variable units\n CHARACTER*20 DATESTR ! date string \n CHARACTER*16 dfield, tfield\n CHARACTER*36 obsName \n\n INTEGER startDate\n INTEGER startTime\n INTEGER endDate\n INTEGER endTime\n INTEGER siteField, pocField, sDateField, eDateField\n INTEGER istep1, istep2, TIMEZONE\n INTEGER stepsec, periodsec, neededSteps, nfields\n INTEGER SubPptFld\n Real fieldValue\n Real ppValue\n LOGICAL zeroPrecip\n LOGICAL WET_DEP\n\n REAL, ALLOCATABLE :: VARDATA( : )\n\n LOGICAL DATACHECK\n LOGICAL DATECHECK\n \nC**********************************************************************\n DATA PNAME / 'PROCESS' /\n\nC****************************************************************\nC open input and output table files\nC****************************************************************\n in = 10\n out = 11 \n open(unit=in, file=IN_TABLE, status='old', err=900)\n open(unit=out, file=OUT_TABLE, err=901)\n\nC****************************************************************\nC read input table file and search for header line\nC****************************************************************\n delimiter = ','\n ISLOCAL = .TRUE. \n siteField = -1\n pocField = -1\n sDateField = -1\n eDateField = -1\n\n ! read until record contains \"site_id\"\n Do \n Read(in,'(a)', iostat=status) record\n call rmCommas(record)\n call ucase(record)\n if(status.ne.0) then\n Write(*,'(''Total data file read without finding a matching site_id'')')\n CALL M3ERR( PNAME, 0, 0,'No matching site records found in data file:'//IN_TABLE, .TRUE. ) \n endif\n\n nfields = getNumberOfFields(record, delimiter)\n\n if( TABLE_TYPE .eq. 'CASTNET' ) then\n if( INDEX(record,'SITE_ID').gt.0 .AND. nfields.gt.3 ) then\n Do i=1,nfields\n call getField(record, delimiter, i, field)\n call rmQuots( field )\n call LeftTrim(field)\n if( Trim(field) .eq. 'SITE_ID') siteField = i\n if( Trim(field) .eq. 'POCODE') pocField = i\n if( Trim(field) .eq. 'DATEON') sdateField = i\n if( Trim(field) .eq. 'DATEOFF') edateField = i\n EndDo \n EXIT\n EndIf\n\n else if( TABLE_TYPE .eq. 'SEARCH' ) then\n if( INDEX(record,'SITE_ID').gt.0 .AND. nfields.gt.3 ) then\n Do i=1,nfields\n call getField(record, delimiter, i, field)\n call rmQuots( field )\n call LeftTrim(field)\n if( Trim(field) .eq. 'SITE_ID') siteField = i\n if( Trim(field) .eq. 'POCODE') pocField = i\n if( Trim(field) .eq. 'DATEON') sdateField = i\n if( Trim(field) .eq. 'DATEOFF') edateField = i\n EndDo \n EXIT\n EndIf\n\n else if( TABLE_TYPE .eq. 'IMPROVE' ) then\n if( INDEX(record,'SITE_CODE').gt.0 .AND. nfields.gt.2 ) then\n Do i=1,nfields\n call getField(record, delimiter, i, field)\n call rmQuots( field )\n call LeftTrim(field)\n if( Trim(field) .eq. 'SITE_CODE') siteField = i\n if( Trim(field) .eq. 'POCODE') pocField = i\n if( Trim(field) .eq. 'OBS_DATE') sdateField = i\n EndDo \n Exit\n EndIf\n\n\n else if( TABLE_TYPE .eq. 'NADP' ) then\n if( INDEX(record,'SITEID').gt.0 .AND. nfields.gt.2 ) then\n Do i=1,nfields\n call getField(record, delimiter, i, field)\n call rmQuots( field )\n call LeftTrim(field)\n if( Trim(field) .eq. 'SITEID') siteField = i\n if( Trim(field) .eq. 'POCODE') pocField = i\n if( Trim(field).eq.'DATEON' .or. Trim(field).eq.'DATE ON') sdateField = i\n if( Trim(field).eq.'DATEOFF' .or. Trim(field).eq.'DATE OFF') edateField = i\n EndDo \n Exit \n EndIf \n\n else if( TABLE_TYPE .eq. 'AIRMON' ) then\n if( INDEX(record,'SITE').gt.0 .AND. nfields.gt.4 ) then\n Do i=1,nfields\n call getField(record, delimiter, i, field)\n call rmQuots( field )\n call LeftTrim(field)\n if( Trim(field) .eq. 'SITE') siteField = i\n if( Trim(field) .eq. 'POCODE') pocField = i\n if( Trim(field) .eq. 'DATE/TIME ON') sdateField = i\n if( Trim(field) .eq. 'DATE/TIME OFF') edateField = i\n EndDo\n Exit\n EndIf\n\n else if( TABLE_TYPE .eq. 'STN' ) then\n if( INDEX(record,'SITE').gt.0 .AND. nfields.gt.2 ) then\n Do i=1,nfields \n call getField(record, delimiter, i, field) \n call rmQuots( field )\n call LeftTrim(field)\n if( Trim(field) .eq. 'SITE') siteField = i \n if( Trim(field) .eq. 'POCODE') pocField = i\n if( Trim(field) .eq. 'DATE') sdateField = i \n EndDo \n Exit \n EndIf \n\n else if( TABLE_TYPE .eq. 'MDN' ) then \n if( INDEX(record,'SITEID').gt.0 ) then\n delimiter = ','\n ISLOCAL = .FALSE.\n Do i=1,nfields \n call getField(record, delimiter, i, field) \n call rmQuots( field )\n call LeftTrim(field)\n if( Trim(field) .eq. 'SITEID') siteField = i \n if( Trim(field) .eq. 'POCODE') pocField = i\n if( Trim(field) .eq. 'DATEON') sdateField = i \n if( Trim(field) .eq. 'DATEOFF') edateField = i\n EndDo \n Exit \n EndIf \n\n else if( TABLE_TYPE .eq. 'MET' ) then\n if( INDEX(record,'SITE_ID').gt.0 ) then\n delimiter = ','\n ISLOCAL = .TRUE.\n Do i=1,nfields\n call getField(record, delimiter, i, field)\n call rmQuots( field )\n call LeftTrim(field)\n if( Trim(field) .eq. 'SITE_ID') siteField = i\n if( Trim(field) .eq. 'POCODE') pocField = i\n if( Trim(field) .eq. 'DATE_TIME') sdateField = i\n EndDo\n Exit\n EndIf\n \n else if( TABLE_TYPE .eq. 'DEARS' ) then\n if( INDEX(record,'PID').gt.0 ) then\n delimiter = ','\n ISLOCAL = .TRUE.\n Do i=1,nfields\n call getField(record, delimiter, i, field)\n call rmQuots( field )\n call LeftTrim(field)\n if( Trim(field) .eq. 'PID') siteField = i\n if( Trim(field) .eq. 'POCODE') pocField = i\n if( Trim(field) .eq. 'STARTDATE') sdateField = i\n EndDo\n Exit\n EndIf\n \n else if( TABLE_TYPE .eq. 'OUTPUT' ) then \n if( INDEX(record,'SITEID').gt.0 .AND. nfields.gt.3 ) then\n Do i=1,nfields\n call getField(record, delimiter, i, field)\n call rmQuots( field )\n call LeftTrim(field)\n if( Trim(field) .eq. 'SITEID') siteField = i\n if( Trim(field) .eq. 'POCODE') pocField = i\n if( Trim(field) .eq. 'TIME ON') sdateField = i\n if( Trim(field) .eq. 'TIME OFF') edateField = i\n EndDo \n EXIT\n EndIf\n \n else\n CALL M3ERR( PNAME, 0, 0,'Invalid Table type', .TRUE. ) \n Exit\n EndIf \n EndDo\n \n\n ! check for missing site and date fields\n if( siteField.le.0 ) then\n CALL M3ERR( PNAME, 0, 0,'Cannot find Site field in header record', .TRUE. )\n endif\n \n if( sdateField.le.0 ) then\n CALL M3ERR( PNAME, 0, 0,'Cannot find Date fields in header record', .TRUE. )\n endif\n \n\nC*********************************************************************\nC* determine field numbers for species variables from header record\nC********************************************************************* \n SubPptFld = 0\n WET_DEP = .FALSE.\n\n Do i=1,NSPECVAR\n\n ! use units of first model species for model units \n if( SPECVARS(i)%MOD_UNITS .eq. '' ) then\n Call get_units( SPECVARS(i)%MOD_NAME(1), SPECVARS(i)%MOD_UNITS )\n Endif\n\n ! check for wet deposition operation\n if( SPECVARS(i)%OP_CODE .eq. 'WD' ) WET_DEP = .TRUE.\n\n ! check for null obs_name\n If(SPECVARS(i)%OBS_NAME(1).eq.'null' .or. SPECVARS(i)%OBS_NAME(1).eq.' ') then\n SPECVARS(i)%OBS_NUMSPEC = 0\n cycle\n Endif\n\n ! match OBS_NAME with header field\n Do j=nfields,1,-1\n call getField(record, delimiter, j, field)\n call rmQuots( field )\n call LeftTrim(field)\n Do k=1, SPECVARS(i)%OBS_NUMSPEC\n obsName = SPECVARS(i)%OBS_NAME(k)\n Call ucase( obsName )\n if( Trim(field) .eq. Trim(obsname) ) then\n SPECVARS(i)%OBS_FIELD(k) = j\n endif\n enddo \n \n ! if field = \"Sub Ppt\", set SubPptFld value\n if( Trim(field) .eq. 'SUB PPT' ) SubPptFld = j\n Enddo \n\n ! verify that all observered names exists \n Do k=1, SPECVARS(i)%OBS_NUMSPEC\n if( SPECVARS(i)%OBS_FIELD(k) .eq. 0) then\n Write(*,'('' Observed Species ['',a,''] not found in header ['',a,'']'')')\n & Trim(SPECVARS(i)%OBS_NAME(k)), Trim(record)\n CALL M3ERR( PNAME, 0, 0, 'Observed Speices ['//Trim(SPECVARS(i)%OBS_NAME(k))//'] not found', .TRUE. ) \n Endif\n EndDo \n EndDo\n\n if(WET_DEP .and. SubPptFld.eq.0) Then\n Write(*,'(''Error, WET_DEP requires precip field \"Sub Ppt\" which was not found'')')\n CALL M3ERR( PNAME, 0, 0, 'Observed Speices [Sub Ppt] not found', .TRUE. ) \n Endif\n\n\nC*********************************************************************\nC* build headers with variable names and units and write to output\nC*********************************************************************\n if( TABLE_TYPE .eq. 'OUTPUT' ) then\n Call bldOPheader(in,out,record)\n else\n Call bldRegHeader(out)\n endif\n\n\nC**********************************************************************\nC* Allocate memory to store data values for Variables\nC**********************************************************************\n Allocate( VARDATA( NSPECVAR ) )\n\nC**********************************************************************\nC* read each record, get site and time period\nC**********************************************************************\n Do While(.true.)\n Read(in,'(a)', end=200) record\n if(LEN_TRIM(record).eq.0) CYCLE\n call rmCommas(record)\n call getField(record, delimiter, siteField, field1)\n if ( pocField .gt. 0 ) then\n call getField(record, delimiter, pocField, field2)\n else\n field2 = '1' !use 1 as default parameter occurrence code\n endif\n call rmQuots( field1 )\n call rmQuots( field2 )\n\n\n outRecord = trim(field1)//\",\"//trim(field2)\n siteNo = getSiteNumber( field1, field2 )\n if( siteNo .gt. 0 ) Then\n\n if( TABLE_TYPE .eq. 'IMPROVE' ) then\n call getField(record, delimiter, sDateField, DateStr)\n call rmQuots( DateStr )\n startDate = str2Date( DateStr )\n startTime = 0\n endDate = startDate\n endTime = 235959\n else if( TABLE_TYPE .eq. 'CASTNET' ) then\n call getField(record, delimiter, sDateField, DateStr)\n call rmQuots( DateStr )\n call getField(DateStr, ' ', 1, dfield)\n call getField(DateStr, ' ', 2, tfield)\n startDate = str2Date(dfield)\n startTime = str2Time(tfield)\n call getField(record, delimiter, eDateField, DateStr)\n call rmQuots( DateStr )\n call getField(DateStr, ' ', 1, dfield)\n call getField(DateStr, ' ', 2, tfield)\n endDate = str2Date(dfield)\n endTime = str2Time(tfield)\n else if( TABLE_TYPE .eq. 'SEARCH' ) then\n call getField(record, delimiter, sDateField, DateStr)\n call rmQuots( DateStr )\n call getField(DateStr, ' ', 1, dfield)\n call getField(DateStr, ' ', 2, tfield)\n startDate = str2Date(dfield)\n startTime = str2Time(tfield)\n call getField(record, delimiter, eDateField, DateStr)\n call rmQuots( DateStr )\n call getField(DateStr, ' ', 1, dfield)\n call getField(DateStr, ' ', 2, tfield)\n endDate = str2Date(dfield)\n endTime = str2Time(tfield)\n else if( TABLE_TYPE .eq. 'STN' ) then\n call getField(record, delimiter, sDateField, DateStr)\n call rmQuots( DateStr )\n startDate = str2Date( DateStr ) \n startTime = 000000 ! changed from 090000 on 02/24/2006\n endDate = startDate\n endTime = 235959 \n else if( TABLE_TYPE .eq. 'NADP' ) then\n call getField(record, delimiter, sDateField, DateStr)\n call rmQuots( DateStr )\n if(index(DateStr, ' ').gt.1 .and. index(DateStr, ':').gt.1) then\n call getField(DateStr, ' ', 1, dfield)\n call getField(DateStr, ' ', 2, tfield)\n startDate = str2Date(dfield)\n startTime = str2Time(tfield)\n else\n startDate = str2Date( DateStr )\n startTime = 90001\n endif\n\n call getField(record, delimiter, eDateField, DateStr)\n call rmQuots( DateStr )\n if(index(DateStr, ' ').gt.1 .and. index(DateStr, ':').gt.1) then\n call getField(DateStr, ' ', 1, dfield)\n call getField(DateStr, ' ', 2, tfield)\n endDate = str2Date(dfield)\n endTime = str2Time(tfield)\n else\n endDate = str2Date( DateStr )\n endTime = 90000\n endif\n else if( TABLE_TYPE .eq. 'AIRMON' ) then\n call getField(record, delimiter, sDateField, DateStr)\n call rmQuots( DateStr )\n if(index(DateStr, ' ').gt.1 .and. index(DateStr, ':').gt.1) then\n call getField(DateStr, ' ', 1, dfield)\n call getField(DateStr, ' ', 2, tfield)\n startDate = str2Date(dfield)\n startTime = str2Time(tfield)\n else\n startDate = str2Date( DateStr )\n startTime = 90000\n endif\n \n call getField(record, delimiter, eDateField, DateStr)\n call rmQuots( DateStr )\n if(index(DateStr, ' ').gt.1 .and. index(DateStr, ':').gt.1) then\n call getField(DateStr, ' ', 1, dfield)\n call getField(DateStr, ' ', 2, tfield)\n endDate = str2Date(dfield)\n endTime = str2Time(tfield)\n else\n endDate = str2Date( DateStr )\n endTime = 90000\n endif\n Call Nextime( endDate, endTime, -1 )\n else if( TABLE_TYPE .eq. 'MDN' ) then \n call getField(record, delimiter, sDateField, DateStr) \n call rmQuots( DateStr )\n call getField(DateStr, ' ', 1, dfield)\n call getField(DateStr, ' ', 2, tfield)\n startDate = str2Date(dfield)\n startTime = str2Time(tfield)\n call getField(record, delimiter, eDateField, DateStr) \n call rmQuots( DateStr )\n call getField(DateStr, ' ', 1, dfield)\n call getField(DateStr, ' ', 2, tfield)\n endDate = str2Date(dfield)\n endTime = str2Time(tfield)\n else if( TABLE_TYPE .eq. 'MET' ) then\n call getField(record, delimiter, sDateField, DateStr)\n call rmQuots( DateStr )\n call getField(DateStr, ' ', 1, dfield)\n call getField(DateStr, ' ', 2, tfield)\n startDate = str2Date(dfield)\n startTime = str2Time(tfield)\n endDate = startDate\n endTime = startTime\n CALL NEXTIME( endDate, endTime, 5900 )\n else if( TABLE_TYPE .eq. 'DEARS' ) then\n call getField(record, delimiter, sDateField, DateStr)\n call rmQuots( DateStr )\n startDate = str2Date(DateStr)\n startTime = 090000\n endDate = startDate\n endTime = startTime\n CALL NEXTIME( endDate, endTime, 235900 )\n else if( TABLE_TYPE .eq. 'OUTPUT' ) then\n call getField(record, delimiter, sDateField, DateStr)\n call rmQuots( DateStr )\n call getField(DateStr, ' ', 1, dfield)\n call getField(DateStr, ' ', 2, tfield)\n startDate = str2Date(dfield)\n startTime = str2Time(tfield)\n \n call getField(record, delimiter, eDateField, DateStr)\n call rmQuots( DateStr )\n call getField(DateStr, ' ', 1, dfield) \n call getField(DateStr, ' ', 2, tfield) \n endDate = str2Date(dfield)\n endTime = str2Time(tfield) \n else\n Write(*,'(''Error, Invalid table type:'', a)') TRIM(TABLE_TYPE)\n Stop\n Endif\n\n ! add state to outRecord\n field = STATE(siteno)\n Call LeftTrim(field)\n outRecord = Trim(outRecord) // ',\"' // trim(field) // '\"'\n\n ! add county to outRecord\n field = COUNTY(siteno)\n Call LeftTrim(field)\n outRecord = Trim(outRecord) // ',\"' // trim(field) // '\"'\n\n ! add elevation to outRecord\n Write(field,'(f7.0)') ELEV(siteno)\n Call LeftTrim(field)\n outRecord = Trim(outRecord) // ',' // trim(field)\n\n ! add lat and long fields to outRecord\n Write(field,'(f12.4)') getLatitude(siteno)\n Call LeftTrim(field)\n outRecord = Trim(outRecord) // ',' // trim(field)\n\n Write(field,'(f12.4)') getLongitude(siteno) \n Call LeftTrim(field) \n outRecord = Trim(outRecord) // ',' // trim(field)\n\n ! add cell column and row to outRecord\n Write(field,'(i5)') COL(siteno)\n Call LeftTrim(field)\n outRecord = Trim(outRecord) // ',' // trim(field)\n\n Write(field,'(i5)') ROW(siteno)\n Call LeftTrim(field)\n outRecord = Trim(outRecord) // ',' // trim(field)\n\n\n ! add date/time fields to outRecord\n outRecord = Trim(outRecord) // ',' // date2Str(startDate,startTime)\n outRecord = Trim(outRecord) // ',' // date2Str(endDate,endTime)\n\n ! add date/time fields to outRecord in MM,DD,YYYY,HH,SS format\n outRecord = Trim(outRecord) // ',' // date2Str_csv(startDate,startTime)\n outRecord = Trim(outRecord) // ',' // date2Str_csv(endDate,endTime)\n\n ! adjust time to GMT if ISLOCAL\n if( ISLOCAL ) then\n ! adjust timezone for day light saving only if APPLYDLS is true\n TIMEZONE = TZ(siteNo)\n if( APPLYDLS .AND. ISDSTIME( startDate ) ) TIMEZONE = TIMEZONE-1\n\n ! adjust time by TIME_SHIFT (default is no shift)\n TIMEZONE = TIMEZONE + TIME_SHIFT\n\n ! adjust starting date and time for timezone\n CALL NEXTIME( startDate, startTime, 10000*TIMEZONE )\n CALL NEXTIME( endDate, endTime, 10000*TIMEZONE )\n endif\n\n DATACHECK = .TRUE.\n\n ! check if site is outside of grid domain\n if( COL(siteno).eq.0 .or. ROW(siteno).eq.0 ) DATACHECK = .FALSE.\n\n ! check if dates are within time window\n if( START_DATE .gt. 0 ) Then\n if(SECSDIFF(START_DATE, START_TIME, startDate, startTime).lt.0)\n & DATACHECK = .FALSE.\n Endif\n\n if( END_DATE .gt. 0 ) Then\n if(SECSDIFF(END_DATE, END_TIME, startDate, startTime).gt.0)\n & DATACHECK = .FALSE.\n Endif\n\n if( DATACHECK ) then \n Call startEndSteps(startDate, startTime, endDate, endTime, istep1, istep2) \n DATECHECK = .TRUE.\n if( istep1.lt.0 .or.istep2.lt.0 ) DATECHECK = .FALSE.\n Endif\n\n if( DATACHECK .and. DATECHECK ) then\n stepsec = TIME2SEC( TIMESTEP )\n periodsec = SECSDIFF( startDate, startTime, endDate, endTime )\n neededSteps = periodsec / stepsec\n if( neededSteps .gt. istep2-istep1+1 ) DATACHECK = .FALSE.\n EndIF\n \n ! Read values for each variable and compute it's period value\n if( DATACHECK ) then\n VARDATA = -999.0 ! init to missing\n if( DATECHECK ) then \n Do i=1,NSPECVAR\n VARDATA(i) = getSpeciesValue(siteNo, SPECVARS(i), istep1, istep2)\n EndDo \n EndIf\n Endif\n\n ! build output record and write to out Table\n if( DATACHECK ) then\n \n ! set flag for zero precip\n zeroPrecip = .false.\n if( SubPptFld.gt.0 ) then\n call getField(record, delimiter, SubPptFld, field)\n call rmQuots( field )\n zeroPrecip = ( Trim(field) .eq. '0' ) \n Endif\n \n Do i=1,NSPECVAR\n if( SPECVARS(i)%OBS_NUMSPEC .gt. 0 ) Then\n\n if( SPECVARS(i)%OP_CODE.eq.'CH' ) Then\n Call getField(record, delimiter, SPECVARS(i)%OBS_FIELD(1), field)\n Call rmQuots( field )\n Endif\n\n if( SPECVARS(i)%OP_CODE.ne.'CH' ) Then\n Call getObsField(record, delimiter, TABLE_TYPE, SPECVARS(i), fieldvalue)\n if(fieldvalue.le.-999.0) then\n field = MISSING_VALUE\n else\n field = Real2Str(fieldValue) \n Endif\n Endif \n\n ! check for WET_DEP operation\n if(SPECVARS(i)%OP_CODE.eq.'WD') then\n if( fieldvalue.lt.0.0 ) field = MISSING_VALUE\n if( fieldvalue.ge.0.0 ) then\n Call getField(record, delimiter, SubPptFld, field)\n read(field,'(g16.0)',iostat=status) ppvalue\n if( status.ne.0 .or. ppvalue.lt.0 ) ppvalue = 0.0\n fieldvalue = fieldvalue * ppvalue / 100.0\n field = Real2Str(fieldValue)\n Endif\n Endif \n\n outRecord = Trim(outRecord) // ',' // Trim(field)\n Endif\n\n if( SPECVARS(i)%Mod_NUMSPEC .gt. 0 ) Then \n field = Real2Str(VARDATA(i))\n outRecord = Trim(outRecord) // ',' // Trim(field)\n Endif\n EndDo\n\n ! print status line to screen\n Write(*,'(''Writing values for site '',a,'' starting at '',a,'' GMT'')') \n & TRIM(SITE(siteNo)), DT2STR(startDate, startTime)\n\n ! write output record to out table\n Write(out,'(a)') TRIM(outRecord)\n EndIf \n Else\n Write(*,'(''No site found for site = '',a)') TRIM(field1)\n !!Write(*,'('' field'',i3,'' in record = '',a)') siteField,TRIM(record)\n EndIf \n\n EndDo\n 200 continue\n\n RETURN\n\n 900 write(*,'('' Cannot open input table file ['',a,'']'')') TRIM(IN_TABLE)\n return\n\n 901 write(*,'('' Cannot open output table file ['',a,'']'')') TRIM(OUT_TABLE)\n return\n END\n\n\n\n\nC****************************************************************************\nC routine to build and write header lines for all TABLE_TYPEs != OUTPUT\nC****************************************************************************\n Subroutine bldRegheader(out)\n\n USE M3FILES\n USE SPECIES_DEF \n USE ENV_VARS\n\n ! arguments\n Integer out\n\n ! local variables\n CHARACTER*(80) obsTitle\n CHARACTER*(80) modTitle\n Character*(3200) header1\n Character*(3200) header2\n Character*(3200) header3\n\n header1 = 'SiteId,POCode,State,County,Elevation,Latitude,Longitude'\n header1 = Trim(header1) // ',Column,Row,Time On,Time Off'\n header1 = Trim(header1) // ',SMM,SDD,SYYYY,Shh,Smm,EMM,EDD,EYYYY,Ehh,Emm'\n header2 = ',,,,(m),(deg),(deg)'\n header2 = Trim(header2) // ',,,(MM/DD/YYYY hh:mm),(MM/DD/YYYY hh:mm)'\n header2 = Trim(header2) // ',MM,DD,YYYY,hh,mm,MM,DD,YYYY,hh,mm'\n header3 = ',,,,,,'\n header3 = Trim(header3) // ',,,,'\n header3 = Trim(header3) // ',,,,,,,,,,'\n \n Do i=1,NSPECVAR\n if( SPECVARS(i)%OBS_NUMSPEC .gt. 0 ) Then\n obsTitle = SPECVARS(i)%OBS_Expression\n header1 = Trim(header1) // ',' // TRIM(obsTitle) // '_ob'\n header2 = Trim(header2) // ',' // TRIM(SPECVARS(i)%OBS_UNITS)\n header3 = Trim(header3) // ',' // 'Observed'\n Endif\n \n if( SPECVARS(i)%Mod_NUMSPEC .gt. 0 ) Then\n modTitle = SPECVARS(i)%MOD_EXPRESSION\n header1 = Trim(header1) // ',' // TRIM(modTitle) // '_mod'\n header2 = Trim(header2) // ',' // TRIM(SPECVARS(i)%MOD_UNITS)\n header3 = Trim(header3) // ',' // 'Modeled'\n Endif\n \n EndDo\n \n Write(out,'(''Observed values read from file:'',a)') TRIM(IN_TABLE)\n Write(out,'(''Modeled values read from file:'',a,/)') TRIM(M3FILE)\n Write(out,'(a)') TRIM(header2)\n Write(out,'(a)') TRIM(header3)\n Write(out,'(a)') TRIM(header1)\n \n\n return\n end\n\n \nC****************************************************************************\nC routine to build and write header lines for TABLE_TYPE OUTPUT\nC**************************************************************************** \n Subroutine bldOPheader(in,out,record) \n \n USE M3FILES\n USE SPECIES_DEF \n USE ENV_VARS\n \n ! arguments \n Integer in, out \n Character*(*) record\n \n ! local variables\n CHARACTER*(80) obsTitle\n CHARACTER*(80) modTitle\n Character*(3200) header1\n Character*(3200) header2\n Character*(3200) header3\n Character*(3200) unitsRec \n Character*(3200) sourceRec \n Character*(80) field\n\n TYPE ( SPEC_VAR ) newSpecs(50)\n INTEGER nspecs \n\n\n header1 = 'SiteId,POCode,Latitude,Longitude,Column,Row,Time On,Time Off' \n header1 = Trim(header1) // ',SMM,SDD,SYYYY,Shh,Smm,EMM,EDD,EYYYY,Ehh,Emm'\n header2 = ',,(deg),(deg),,,(MM/DD/YYYY hh:mm),(MM/DD/YYYY hh:mm)' \n header2 = Trim(header2) // ',MM,DD,YYYY,hh,mm,MM,DD,YYYY,hh,mm'\n header3 = ',,,,,,,' \n header3 = Trim(header3) // ',,,,,,,,,,'\n \n ! read units header line\n read(in,'(a)') unitsRec\n\n ! read observed, modeled line\n read(in,'(a)') sourceRec\n\n\n ! build new set of species variables\n nspecs = 0\n Do i=1,NSPECVAR\n nspecs = nspecs + 1\n newSpecs(nspecs) = SPECVARS(i)\n\n ! check for no old modeled field\n call getField(sourceRec, ',', SPECVARS(i)%OBS_FIELD(1)+1, field)\n if( field.ne.'Modeled' ) CYCLE\n\n ! remove mod field from spec and add new spec using old modeled and new modeled\n newSpecs(nspecs)%MOD_NUMSPEC = 0\n\n nspecs = nspecs + 1\n call getField(record, ',', SPECVARS(i)%OBS_FIELD(1)+1, field)\n newSpecs(nspecs) = SPECVARS(i)\n newSpecs(nspecs)%OBS_NUMSPEC = 1\n newSpecs(nspecs)%OBS_EXPRESSION = field\n newSpecs(nspecs)%OBS_NAME(1) = field\n newSpecs(nspecs)%OBS_FIELD(1) = SPECVARS(i)%OBS_FIELD(1)+1\n newSpecs(nspecs)%OBS_FACTOR = 1.0\n call getField(unitsRec, ',', SPECVARS(i)%OBS_FIELD(1)+1, field)\n newSpecs(nspecs)%OBS_UNITS = field \n\n enddo\n\n ! replace SPECVARS with new specs\n NSPECVAR = nspecs\n Do i=1,nspecs\n SPECVARS(i) = newSpecs(i)\n enddo\n\n ! build header records with new species\n Do i=1,NSPECVAR \n if( SPECVARS(i)%OBS_NUMSPEC .gt. 0 ) Then\n obsTitle = SPECVARS(i)%OBS_Expression\n call getField(sourceRec, ',', SPECVARS(i)%OBS_FIELD(1), field)\n if( field.eq.'Modeled' ) field = trim(field) // '(A)'\n header1 = Trim(header1) // ',' // TRIM(obsTitle) // '_ob'\n header2 = Trim(header2) // ',' // TRIM(SPECVARS(i)%OBS_UNITS)\n header3 = Trim(header3) // ',' // trim(field)\n Endif\n \n if( SPECVARS(i)%Mod_NUMSPEC .gt. 0 ) Then \n modTitle = SPECVARS(i)%MOD_EXPRESSION \n header1 = Trim(header1) // ',' // TRIM(modTitle) // '_mod' \n header2 = Trim(header2) // ',' // TRIM(SPECVARS(i)%MOD_UNITS) \n header3 = Trim(header3) // ',' // 'Modeled(B)'\n Endif\n \n EndDo\n \n Write(out,'(''Observed values read from file:'',a)') TRIM(IN_TABLE)\n Write(out,'(''Modeled values read from file:'',a,/)') TRIM(M3FILE)\n Write(out,'(a)') TRIM(header2)\n Write(out,'(a)') TRIM(header3) \n Write(out,'(a)') TRIM(header1)\n \n return \n end \n \n \nC****************************************************************************\nC routine to read and compute observed values from input record\nC****************************************************************************\n Subroutine getObsField(record, delimiter, TABLE_TYPE, VAR, resultValue)\n\n USE SPECIES_DEF \n\n ! arguments\n Character*(*) record\n Character*(*) delimiter\n Character*(*) TABLE_TYPE\n TYPE (SPEC_VAR) VAR\n Real resultValue\n\n ! local variables\n Integer n, status \n Real fieldValue\n Character*(32) field\n Character*(32) flag\n\n\n resultValue = 0\n\n Do n=1,VAR%OBS_NUMSPEC\n \n Call getField(record, delimiter, VAR%OBS_FIELD(n), field)\n Call rmQuots( field )\n\n ! check for a code flag field following data field \n if(TABLE_TYPE .eq. 'CASTNET' .or. TABLE_TYPE .eq. 'SEARCH') then\n Call getField(record, delimiter, VAR%OBS_FIELD(n)+1, flag)\n Call rmQuots( flag )\n if( INDEX('#IJKLMNBCDFP', flag(1:1)) .gt. 0 ) field = ' '\n endif\n\n ! check for a code flag field following data field\n if(TABLE_TYPE .eq. 'MET') then\n Call getField(record, delimiter, VAR%OBS_FIELD(n)+1, flag)\n Call rmQuots( flag )\n if( LEN_TRIM(flag).eq.1 .and. INDEX('BCDFIMP',flag(1:1)).gt.0 ) field = ' '\n endif\n\n ! read fieldValue and check if missing\n read(field,'(g16.0)',iostat=status) fieldValue\n if(status.ne.0.or.TRIM(field).eq.' '.or.TRIM(field).eq.'.'.or.fieldvalue.le.-999.0) then\n if( .NOT.VAR%OBS_OPTNAL(n) ) then\n resultValue = -999.0\n Return\n endif \n fieldValue = 0.0 ! if missing and optional, set to zero\n Endif ! missing condition\n\n ! update resultValue \n resultValue = resultValue + VAR%OBS_FACTOR(n) * fieldValue\n Enddo\n\n return\n End Subroutine getObsField\n\n\n\nC****************************************************************************\nC routine to convert date string \"yyyy-mm-dd\" to an Integer value yyyyDDD\nC****************************************************************************\n Integer Function str2Date( dString ) result(IDATE)\n\n Character*(*) dString\n\nC..EXTERNAL FUNCTIONS:\n INTEGER JULIAN\n\n Character*10 monStr\n Character*10 dayStr\n Character*10 yrStr\n\n Integer mo, dy, yr, jday\n Integer i,nchar\n\n ! remove quote marks\n Call rmQuots( dString )\n\n if( index(dString,'-') .gt. 0 ) then ! yyyy-mm-dd\n Call getField(dString,'-',1,yrStr)\n Call getField(dString,'-',2,monStr)\n Call getField(dString,'-',3,dayStr)\n elseif( index(dString,'/') .gt. 0 ) then ! mm/dd/yyyy\n Call getField(dString,'/',3,yrStr)\n Call getField(dString,'/',1,monStr)\n Call getField(dString,'/',2,dayStr)\n else !yyyymmdd\n yrStr = dString(1:4)\n monStr = dString(5:6)\n dayStr = dString(7:8)\n Endif\n\n Read(monStr,'(i10)',err=500) mo\n Read(dayStr,'(i10)',err=500) dy\n Read(yrStr,'(i10)',err=500) yr\n\n ! check for 2 digit year\n if( yr.gt.0 .and. yr.lt.100 ) Then\n if( yr.ge.50 ) yr = yr + 1900\n if( yr.lt.50 ) yr = yr + 2000\n Endif\n\n jday = JULIAN( yr, mo, dy )\n\n IDATE = 1000*yr + jday\n Return\n\n 500 Write(*,'(''Error converting date string '',a)') TRIM(dString)\n IDATE = 9999999\n Return\n End Function str2Date\n\n\nC****************************************************************************\nC routine to convert time string \"HH:MM\" or \"HH:MM:SS\" to an Integer value HHMMSS\nC****************************************************************************\n Integer Function str2Time( timeStr ) result(ITIME)\n\n Character*(*) timeStr\n Character*10 tString\n\n Character*10 hhStr\n Character*10 mmStr\n Character*10 ssStr\n\n Integer hh, mm, ss\n Integer i,nchar\n\n nchar = min(LEN(timeStr), 10 )\n \n Do i=1,nchar\n tString(i:i) = timeStr(i:i)\n EndDo\n \n Call getField(tString,':',1,hhStr)\n Call getField(tString,':',2,mmStr)\n Call getField(tString,':',3,ssStr)\n\n Read(hhStr,'(i10)',err=500) hh\n if( hh.gt.24 ) go to 500\n\n Read(mmStr,'(i2)',err=501) mm\n if( mm.lt.0 .or. mm.gt.59 ) go to 501\n\n Read(ssStr,'(i2)',err=502) ss\n if( ss.lt.0 .or. ss.gt.59 ) go to 502\n\n ITIME = 10000 * hh + 100 * mm + ss\n Return\n\n 500 Write(*,'(''Error converting hour string '',a)') hhStr\n ITIME = 0\n Return\n 501 Write(*,'(''Error converting minute string '',a)') mmStr\n ITIME = 0\n Return\n 502 Write(*,'(''Error converting seconds string '',a)') ssStr\n ITIME = 0\n Return\n\n End Function str2Time\n\n\nC****************************************************************************\nC routine to convert date and time to string as \"mm/dd/yyyy HH:MM\"\nC****************************************************************************\n Character*16 Function date2Str( date, time ) result(dateStr)\n\n Integer date, time\n\nC.. local variables\n Integer month, day, year, hour, minutes\n\n call DayMon( date, month, day )\n year = date/1000\n \n hour = time/10000\n minutes = (time - 10000*hour)/100\n\n write(dateStr,'(i2.2,''/'',i2.2,''/'',i4.4,'' '',i2.2,'':'',i2.2)') \n & month,day,year,hour,minutes\n return\n End Function date2Str\n\nC****************************************************************************\nC routine to convert date and time to string as \"MM,DD,YYYY,HH,MM\"\nC****************************************************************************\n Character*16 Function date2Str_csv( date, time ) result(dateStr)\n\n Integer date, time\n\nC.. local variables\n Integer month, day, year, hour, minutes\n\n call DayMon( date, month, day )\n year = date/1000\n \n hour = time/10000\n minutes = (time - 10000*hour)/100\n\n write(dateStr,'(i2.2,'','',i2.2,'','',i4.4,'','',i2.2,'','',i2.2)')\n & month,day,year,hour,minutes\n return\n End Function date2Str_csv\n\n\nC****************************************************************************\nC routine to find the starting and ending time steps\nC****************************************************************************\n Subroutine startEndSteps(startDate, startTime, endDate, endTime, istep1, istep2)\n\n USE TIME_STEP\n\n INTEGER startDate, startTime, endDate, endTime, istep1, istep2\n\n INTEGER I\n\n istep1 = -1\n istep2 = -1\n \n ! find starting step\n Do I=1,NSTEPS\n if( STEP_DATE(I).gt.startDate ) istep1=I \n if( STEP_DATE(I).eq.startDate .AND. STEP_TIME(I).ge.startTime ) istep1=I\n if(istep1.gt.0) EXIT\n EndDo\n\n ! if starting point not found return -1's\n if(istep1.lt.0) return \n\n ! find ending step\n Do I=istep1,NSTEPS\n if( STEP_DATE(I).gt.endDate ) EXIT\n if( STEP_DATE(I).eq.endDate .AND. STEP_TIME(I).gt.endTime ) EXIT\n istep2=I\n EndDo\n\n Return\n End Subroutine startEndSteps\n\n\nC****************************************************************************\nC routine to get values for species from ioapi files for time period\nC****************************************************************************\n Real Function getSpeciesValue(siteNo, Species, istep1, istep2)\n & result(value)\n\n USE ENV_VARS\n USE SITE_DATA\n USE SPECIES_DEF\n\n IMPLICIT NONE \n\nC..ARGUMENTS:\n INTEGER siteNo\n TYPE ( SPEC_VAR ) Species\n INTEGER istep1, istep2\n\nC..Local variables\n Real, Allocatable :: specValues(:)\n Real, Allocatable :: RTValues(:)\n Real*8 :: RTtotal\n Real*8 specValue1\n Real*8 specValue2\n Character*16 :: PrecipUnits\n Integer nvalues\n Integer n, i, nm, ns\n\nC.. allocate array to store values read from ioapi files\n nvalues = istep2 - istep1 + 1\n Allocate( specValues(nvalues) )\n\nC.. if OP_CODE.eq.'WC', then read RT values for volumn-weighted calculations\n if( Species%OP_CODE.eq.'WC' ) then\n Allocate( RTValues(nvalues) )\n Call getValues(siteNo, PRECIP_FIELD, istep1, istep2, RTValues)\n\n RTtotal = 0.0\n Do i=1,nvalues \n if (RTValues(i) .ge. 0.) then\n RTtotal = RTtotal + RTValues(i)\n endif\n EndDo \n\n ! if units of Precip == mm, adjust total to cm\n Call get_units( PRECIP_FIELD, PrecipUnits )\n if( PrecipUnits .eq. 'mm' ) then\n RTtotal = RTtotal /10.0\n EndIf\n Endif\n\n\nC.. initialize specValue1 (sum over time) and specValue2 (sum over specs) to zero\n specValue1 = 0.0\n specValue2 = 0.0\n ns = 0\n\nC.. read each model species from file and update values\n Do n=1,species%Mod_NUMSPEC\n Call getValues(siteNo, species%MOD_NAME(n), istep1, istep2, specValues)\n \n nm = 0\n specValue1 = 0.0\n\n ! update values array\n Do i=1,nvalues \n \n if ( specValues(i) .ne. -999. ) then\n \n nm = nm + 1\n \n ! adjust value by factor\n specValues(i) = specValues(i) * species%MOD_FACTOR(n)\n\n ! perform operation defined by Species%OP_CODE \n if( Species%OP_CODE .eq. 'AV' ) then\n specValues(i) = specValues(i)\n\n ElseIf( Species%OP_CODE .eq. 'AC' ) then\n specValues(i) = specValues(i)\n\n ElseIf( Species%OP_CODE .eq. 'WD' ) then\n specValues(i) = specValues(i)\n\n ElseIf( Species%OP_CODE .eq. 'WC' ) then\n if( RTtotal.gt.0.001 ) Then\n specValues(i) = specValues(i) * 10.0 / RTtotal\n Else\n specValues(i) = 0.0\n Endif\n\n Endif\n\n specValue1 = specValue1 + specValues(i) \n \n endif !specValues(i) not missing\n \n EndDo !loop over time steps\n \n if ( nm .ge. 1 ) then\n \n if( Species%OP_CODE .eq. 'AV' ) then\n specValue1 = specValue1 / float(nm)\n endif \n \n else\n \n specValue1 = -999.\n \n endif\n \n if (specValue1 .ne. -999.) then\n \n specValue2 = specValue2 + specValue1\n ns = ns + 1\n \n endif\n \n EndDo !loop over species\n\n if (ns .eq. 0 ) specValue2 = -999. !no non-missing values found for any species\n \n value = specValue2\n \n Return\n End Function getSpeciesValue \n\n\n\nC****************************************************************************\nC routine to read values from files at site for variable for time period\nC****************************************************************************\n SUBROUTINE getValues(siteNo, VARNAME, istep1, istep2, VALUES)\n\n USE M3FILES\n USE ENV_VARS\n USE GRID_DATA\n USE TIME_STEP\n USE SITE_DATA\n USE SPECIES_DEF\n\n USE M3UTILIO\n\n IMPLICIT NONE \n\nC..ARGUMENTS:\n INTEGER siteNo\n Character*(*) VARNAME\n INTEGER istep1, istep2\n REAL VALUES(*)\n\nC..SCRATCH LOCAL VARIABLES:\n INTEGER N, I, K, KK, S, ALLOCSTAT\n CHARACTER*16 PNAME ! Program Name\n CHARACTER*80 MSG ! Error message\n REAL, Allocatable, Save :: GRIDVAL(:,:)\n REAL, Allocatable, Save :: SITESPECVAL(:,:,:)\n INTEGER, Save :: NMODSPEC_ALL\n CHARACTER(len=16), Save :: MODSPEC_ALL(100)\n LOGICAL, Save :: LFIRST \n LOGICAL, Save :: LFAST \n\n DATA LFIRST / .true. /\n DATA PNAME / 'SITE_EXTRACT' /\n\n\n ! on first time called, allocate memory for GRIDVAL array\n if ( LFIRST ) then\n\n Allocate ( GRIDVAL( M3GRID % NCOLS, M3GRID % NROWS ) )\n LFIRST = .false.\n \n ! first, need to build a masterlist of all needed model species\n ! the master list is stored in MODSPEC_ALL\n ! these species are then read in for each site and time step\n ! and stored in SITESPECVAL\n \n NMODSPEC_ALL = 0\n do n = 1, 100 !initialize the array of model species to blank\n MODSPEC_ALL(n) = ' '\n enddo !n\n \n do n = 1, NSPECVAR !total number of species expressions from module SPECIES_DEF\n do k = 1, SPECVARS(n)%MOD_NUMSPEC !number of model species for this expression\n \n if (NMODSPEC_ALL .eq. 0) then !no elements in master list yet\n \n NMODSPEC_ALL = NMODSPEC_ALL + 1\n MODSPEC_ALL(NMODSPEC_ALL) = SPECVARS(n)%MOD_NAME(k)(1:16)\n \n else\n \n if (INDEX1 (SPECVARS(n)%MOD_NAME(k)(1:16), NMODSPEC_ALL,\n & MODSPEC_ALL) .eq. 0) then !species not found, add to master list\n \n\n\n NMODSPEC_ALL = NMODSPEC_ALL + 1\n MODSPEC_ALL(NMODSPEC_ALL) = SPECVARS(n)%MOD_NAME(k)(1:16)\n \n endif\n \n endif \n \n enddo !k\n \n enddo !n\n \nc try to add the precipitation variable to the list if available\nc in file and not already part of the master list\n\n IF ( INDEX1 (PRECIP_FIELD(1:16), NMODSPEC_ALL,\n & MODSPEC_ALL) .eq. 0) THEN !precip variable not found, check in file \n\n IF ( DESC3( M3_FLNAME( 1 ) ) ) THEN\n\n IF (INDEX1 (PRECIP_FIELD(1:16), NVARS3D,\n & VNAME3D) .ne. 0) THEN !precip variable found, add to master list\n NMODSPEC_ALL = NMODSPEC_ALL + 1\n MODSPEC_ALL(NMODSPEC_ALL) = PRECIP_FIELD(1:16)\n \n ENDIF\n \n ENDIF\n \n ENDIF\n \n Write(*,'(''master list of required model species:'')')\n do k = 1, NMODSPEC_ALL\n Write(*,'(i0,1x,a)') k,MODSPEC_ALL(k)\n enddo !k\n \n Allocate ( SITESPECVAL( NSITES, NSTEPS , NMODSPEC_ALL ), \n * STAT = ALLOCSTAT)\n \n if ( ALLOCSTAT .eq. 0 ) then !enough memory for fast approach\n \n lfast = .true.\n Write(*,'(''enough memory, using data prefetch approach'')')\n Write(*,'(''reading model values for all sites and time steps'')')\n \n SITESPECVAL = -999. \n\n do N = 1, NSTEPS !number of time steps across all model files from module_tstep\n\n Write(*,'(''Reading model data for '',i0,1x,i0)') \n & STEP_DATE(N), STEP_TIME(N)\n\n do K = 1, NMODSPEC_ALL\n \n \n \n IF( .NOT. READ3( M3_FLNAME(STEP_FILE(N)), MODSPEC_ALL (k), \n & 1, STEP_DATE(N), \n & STEP_TIME(N), GRIDVAL ) ) THEN\n \n MSG = 'Could not read input Models-3 file ' // M3_FLNAME(STEP_FILE(N)) \n CALL M3ERR( PNAME, STEP_DATE(N), STEP_TIME(N), MSG, .FALSE. )\n \n ELSE\n \n do S = 1, NSITES\n\n if ( ( ROW(S) .ne. 0 ) .and. ( COL(S) .ne. 0 ) ) then\n \n SITESPECVAL(S,N,K) = GRIDVAL( COL(S), ROW(S) )\n \n endif ! site within domain\n\n enddo !S\n \n ENDIF\n \n enddo !K\n \n enddo !N\n \n Write(*,'(''finished reading model values'')')\n\n else ! not enough memory for fast approach\n \n lfast = .false.\n Write(*,'(''not enough memory, not using data prefetch approach'')')\n \n endif\n\n EndIf !Lfirst\n\nc return the values for argument VARNAME at site siteno\nc between istep1 and istep2\nc use fast or slow approach depending on memory\n\n if (lfast) then !enough memory for fast approach\n\n k = INDEX1 (VARNAME(1:16), NMODSPEC_ALL, MODSPEC_ALL)\n\n ! loop to read each value in time period\n I = 0\n Do N=istep1, istep2\n I = I + 1\n \n VALUES(I) = SITESPECVAL(siteno,n,k)\n\n enddo ! N\n\n else !not enough memory for fast approach, use old approach\n \n ! loop to read each value in time period\n I = 0\n Do N=istep1, istep2\n I = I + 1\n \n IF( .NOT. READ3( M3_FLNAME(STEP_FILE(N)), VARNAME, 1, STEP_DATE(N), \n & STEP_TIME(N), GRIDVAL ) ) THEN\n MSG = 'Could not read input Models-3 file ' // M3_FLNAME(STEP_FILE(N)) \n CALL M3ERR( PNAME, STEP_DATE(N), STEP_TIME(N), MSG, .FALSE. )\n GRIDVAL = -999. \n ENDIF\n \n VALUES(I) = GRIDVAL( COL(siteNo), ROW(siteNo) ) \n\n EndDo\n \n \n endif\n\n Return\n End SUBROUTINE getValues \n\n\n \nC****************************************************************************\nC routine to convert real to string\nC****************************************************************************\n Character*16 Function real2Str( value ) result(realStr)\n \n IMPLICIT NONE\n \n ! argument\n Real value\n \n ! local variables\n Character*16 MISSING_VALUE\n Character*80 record\n Integer status\n \n MISSING_VALUE = '-999'\n \n if( value.gt.-999.001 .AND. value.lt.-998.999 ) then\n realStr = MISSING_VALUE\n Call LeftTrim(realStr)\n return\n endif\n \n Write(record,'(E16.5)',iostat=status) value\n Call LeftTrim(record)\n realStr = record\n return\n End Function real2Str\n \n \n" }, { "path": "POST/sitecmp/src/sitecmp.F", "content": "\n!-----------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies!\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!-----------------------------------------------------------------------!\n\n! RCS file, release, date & time of last delta, author, state, [and locker]\n! $Header: /home/sjr/cvs2git/TOOLS/src/sitecmp/sitecmp.F,v 1.4 2011/10/21 14:41:34 sjr Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\n PROGRAM sitecmp\n\nC**********************************************************************\nC\nC PROGRAM: To compare model concentrations at an observed site\nC\nC\nC**********************************************************************\n USE M3FILES\n USE ENV_VARS\n USE GRID_DATA\n USE TIME_STEP\n USE SITE_DATA\n USE SPECIES_DEF\n\n USE M3UTILIO\n\n IMPLICIT NONE \n\nC..ARGUMENTS:\n\nC..PARAMETERS: None\n\nC..EXTERNAL FUNCTIONS: None\n \nC..SAVED LOCAL VARIABLES: None\n\nC..SCRATCH LOCAL VARIABLES:\n CHARACTER*16 PNAME ! Program Name\n CHARACTER*80 MSG ! Error message\n CHARACTER*5 Version ! Version number\n INTEGER N ! Loop index\n\nC**********************************************************************\n DATA PNAME / 'sitecmp' /\n DATA Version / '1.0' /\n\nC... write program name and version number\n WRITE( LOGUNIT, 92020 )\n & '>>----> Program ' // TRIM(PNAME) // ' (Version ' // TRIM(Version) // ') <----<<' \n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get the Models-3 file(s) to process and the other environment \nc variables\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n CALL OPEN_M3FILES\n\n Call GET_SPECS\n CALL GET_ENVS\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Check the file(s) for consistency and make sure the requested \nc species is on the file(s)\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n CALL CK_M3FLS()\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get the grid definition and the tsteps from the M3 files\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n CALL GET_M3GRID\n\n CALL GET_TSTEPS\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get the site data \nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n CALL FL_TYP1\n\n CALL SET_SITE_LOC\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Call the routine to extract the data and generate the output file \nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n CALL PROCESS\n\n WRITE( LOGUNIT, 92020 )\n & '>>----> Program ' // TRIM(PNAME) // ' completed successfully <----<<' \n\n\n CALL EXIT( 0 )\n\nC****************** FORMAT STATEMENTS ******************************\n\n\n92020 FORMAT( //5X, A, // )\n\n END\n \n \n" }, { "path": "POST/sitecmp_dailyo3/README.md", "content": "sitecmp_dailyo3\n========\n\nThis Fortran program generates a csv (comma separated values) file that compares various daily ozone metrics computed from hourly CMAQ generated and observed ozone concentrations. The metrics included in the output file are daily maximum 1-hr ozone concentrations, daily maximum 1-hr ozone concentrations in the nine cells surrounding a monitor, time of occurrence of daily maximum 1-hr ozone concentrations, daily maximum 8-hr ozone concentrations, daily maximum 8-hr ozone concentrations in the nine cells surrounding a monitor, time of occurrence of daily maximum 8-hr ozone concentrations, the daily W126 ozone value, and the daily SUM06 ozone value. \n\n\n## Run Time Environment variables used:\n```\n M3_FILE_# IOAPI input file(s) containing hourly modeled ozone values.\n The maximum number of IOAPI files is set to be one less than the global IOAPI parameter MXFILE3.\n\t\tSince this parameter is currently set to 64 (https://www.cmascenter.org/ioapi/documentation/all_versions/html/TUTORIAL.html),\n\t\tthe maximum number of IOAPI input files is 63.\n [Note: Supported map projections are Lambert conformal, polar stereographic, and lat/lon.\n If an ioapi file is supplied that has a projection not in this list the program will \n stop with an error message.]\n SITE_FILE csv-formatted input file containing the station ID, latitude, longitude, and optionally \n GMT offset, state, county, and elevation for each monitor. \n The column headings for the required variables need to be stat_id, lat, and lon.\n The column headings for the optional variables (if present) need to be gmt_offset, state, county, and elevation.\n\t The column headings are case insensitve and the order of the columns does not matter.\n For legacy purposes, SITE_FILE can also be a tab delimited file with no header and three \n or four columns that contains site information for each monitor in the following fixed order:\n\t site-id, longitude, latitude, and optionally time zone offset between local time and GMT\n IN_TABLE input file containing hourly observed ozone data (comma delimited with header). The file can \n contain columns with species other than ozone, these will be ignored by sitecmp_dailyo3\n OBS_SPECIES name of the ozone species in the header line of IN_TABLE \n (default \"O3\" for AQS; use \"OZONE\" for CASTNET)\n OZONE comma separated string with expression and units for model ozone in M3_FILE_n,\n i.e. \"[Mod_expression], [Mod_unit]\"\n [Mod_expression] format: [factor1]*Mod_name1 [+][-] [factor2]*Mod_name2 ...\n [Mod_unit] is used in OUT_TABLE for the daily maximum 1-hr and 8-hr ozone metrics\n Example: setenv OZONE \"1000*O3,ppbV\"\n OBS_FACTOR conversion factor needed to convert OBS_SPECIES from IN_TABLE to [Mod_unit] specified in OZONE \n (default 1)\n OUT_TABLE file for output data with columns of paired observed and modeled daily ozone metrics\n```\n\n## Run Time Environment Variables (not required):\n```\n START_DATE starting date of time period to process (YYYYJJJ)\n START_TIME starting time of time period to process (HHMMSS)\n END_DATE ending date of time period to process (YYYYJJJ)\n END_TIME ending time of time period to process (HHMMSS)\n PARTIAL_DAY start and end hours for partial day calculations (HH,HH). \n Leave unset/blank for full day calculations. (default '')\n Example: setenv PARTIAL_DAY \"10,17\" \n APPLY_DLS apply daylight savings time (default N)\n HOURS_8HRMAX Number of 8hr values to use when computing daily maximum 8hr ozone.\n Allowed values are 24 (use all 8-hr averages with starting hours \n from 0 - 23 hr local time) and 17 (use only the 17 8-hr averages\n with starting hours from 7 - 23 hr local time) (default is 24)\n TIME_SHIFT number of hours to add when retrieving time steps from M3_FILE_n files \n during processing. This should only be non-zero if the M3_FILE_n files\n were pre-processed with a utility like m3tshift (default 0)\n QA_FLAG_CHECK does IN_TABLE include a QA flag for ozone values, and should it be used? \n (Default N because not present in AQS data. Should set to Y for CASTNET) \n QA_FLAG_HEADER if QA_FLAG_CHECK is Y, name of the ozone QA flag in the header line of IN_TABLE \n (default \"OZONE_F\" to correspond to CASTNET data)\n QA_FLAG_VALUES if QA_FLAG_CHECK is Y, string composed of single-character QA flags that \n should be treated as missing values (default \"BCDFIMP\" to correspond to CASTNET data)\n MISSING string to indicate missing output data values (default \"m\")\n IOAPI_ISPH projection sphere type (use type #20 to match WRF/CMAQ)(IOAPI default 8)\n LAMBXY include x/y projection values for each site in OUT_TABLE (default N)\n\n```\n\n## Run Time File formats:\n```\n SITE_FILE - csv-formatted input file containing the station ID, latitude, longitude, and optionally \n GMT offset, state, county, and elevation for each monitor. \n The column headings for the required variables need to be stat_id, lat, and lon.\n The column headings for the optional variables (if present) need to be gmt_offset, state, county, and elevation.\n\t The column headings are case insensitve and the order of the columns does not matter.\n For legacy purposes, SITE_FILE can also be a tab delimited file with no header and three \n or four columns that contains site information for each monitor in the following fixed order:\n\t site-id, longitude, latitude, and optionally time zone offset between local time and GMT\n \n M3_FILE_n - IOAPI file containing hourly modeled ozone data (n=1->12)\n \n IN_TABLE - text (csv) file containing observed hourly ozone values in CASTNET table type format\n \n CASTNET - site field: \"Site_id\"\n starting date: \"DateOn\" (\"YYYY-MM-DD hh:mm:ss\")\n ending date: \"DateOff\" (\"YYYY-MM-DD hh:mm:ss\")\n \n OUT_TABLE - output (csv) text file containing columns of paired observed and\n modeled values\n```\n\n## Compile sitecmp_dailyo3 source code:\n\nExecute the build script to compile sitecmp_dailyo3:\n\n```\ncd $CMAQ_HOME/POST/sitecmp_dailyo3/scripts\n./bldit_sitecmp_dailyo3.csh [compiler] [version] |& tee build_sitecmp_dailyo3.log\n```\n\n## Run sitecmp_dailyo3:\nEdit the sample run script (run.sitecmp_dailyo3), then run:\n```\n ./run.sitecmp_dailyo3|& tee sitecmp_dailyo3.log\n```\nCheck the log file to ensure complete and correct execution without errors.\n\nSample run scripts has been provided for matching model data to ozone observations from AQS and CASTNET. The formatted observation data files needed for running the sitecmp_dailyo3 utility are available starting in 2000 from the CMAS Data Warehouse Google Drive: [North America Air Quaility Observation Files](https://drive.google.com/drive/folders/1QUlUXnHXvXz9qwePi5APzzHkiH5GWACw?usp=drive_link)\n\n" }, { "path": "POST/sitecmp_dailyo3/scripts/bldit_sitecmp_dailyo3.csh", "content": "#! /bin/csh -f\n\n# ==================== SITECMP_DAILYO3v5.5.X Build Script ============#\n# Usage: bldit_sitecmp_dailyo3.csh >&! bldit_sitecmp_dailyo3.log #\n# Requirements: I/O API & netCDF libraries; a Fortran compiler #\n# #\n# To report problems or request help with this script/program: #\n# http://www.cmascenter.org #\n# =================================================================== #\n\n# =======================================================================\n#> Preliminary error checking and environment configuration\n# =======================================================================\n\n#> Check that the host system is Linux-based\n set BLD_OS = `uname -s` \n if ($BLD_OS != 'Linux') then\n echo \" $BLD_OS -> wrong bldit script for host!\"\n exit 1\n endif\n\n#> Set Compiler Identity by User Input: Options -> intel | pgi | gcc\n if ( $#argv == 1 ) then\n setenv compiler $argv[1]\n setenv compilerVrsn Empty\n else if ( $#argv == 2 ) then\n #> Compiler Name and Version have been provided\n setenv compiler $1\n setenv compilerVrsn $2\n else\n echo \"usage: $0 \"\n echo \" where is intel, pgi or gcc\"\n exit(2)\n endif\n\n#> Source the config.cmaq file to set the build environment\n cd ../../..\n source ./config_cmaq.csh\n\n#> Source Code Repository\n setenv REPOROOT ${CMAQ_REPO}/POST/sitecmp_dailyo3 #> location of the source code for SITECMP_DAILYO3\n\n#===============================================================================\n#> Begin User Input Section \n#===============================================================================\n\n#> User choices: working directory and application ID\n set VRSN = v55 #> model version\n set EXEC = sitecmp_dailyo3_${VRSN}.exe #> executable name for this application\n set CFG = sitecmp_dailyo3_${VRSN}.cfg #> BLDMAKE configuration file name\n setenv BLDER ${CMAQ_HOME}/UTIL/bldmake/bldmake_${compilerString}.exe #> location of makefile builder executable \n\n#> user choice: copy source files\n set CopySrc #> copy the source files into the BLD directory\n\n #set MakeFileOnly # builds a Makefile to make the model, but does not compile -\n # comment out to also compile the model (default if not set)\n\n# set CompileBLDMAKE #> Recompile the BLDMAKE utility from source\n #> comment out to use an existing BLDMAKE executable\n set ModDriver = src #> SITECMP_DAILYO3 Modules\n\n\n#============================================================================================\n#> Computing System Configuration:\n#> Most of these settings are done in config.cmaq\n#============================================================================================\n\n#> Set full path of Fortran 90 compiler\n setenv FC ${myFC}\n set FP = $FC\n\n#> Set IO/API version\n set IOAPI = ioapi_3.1\n\n#> Set compiler flags\n set FSTD = \"${myFSTD}\"\n set DBG = \"${myDBG}\"\n setenv F_FLAGS \"${myFFLAGS}\"\n set F90_FLAGS = \"${myFRFLAGS}\"\n set CPP_FLAGS = \"\" #> Fortran Preprocessor Flags\n set LINK_FLAGS = \"${myLINK_FLAG}\" #> Link Flags\n\n set LIB2 = \"${ioapi_lib}\"\n\n\n#============================================================================================\n#> Set up the sitecmp_dailyo3 build directory under the Tools directory\n#> for checking out and compiling source code\n#============================================================================================\n set Bld = ${CMAQ_HOME}/POST/sitecmp_dailyo3/scripts/BLD_sitecmp_dailyo3_${VRSN}_${compilerString}\n\n if ( ! -e \"$Bld\" ) then\n mkdir -pv $Bld\n else\n if ( ! -d \"$Bld\" ) then\n echo \" *** target exists, but not a directory ***\"\n exit 1\n endif\n endif\n\n cd $Bld\n\n#> Check for previous run\n if ( -e \"$Bld/${CFG}\" ) then\n echo \" >>> previous ${CFG} exists, re-naming to ${CFG}.old <<<\"\n mv $Bld/${CFG} $Bld/${CFG}.old\n endif\n\n#============================================================================================\n#> Make the config file\n#============================================================================================\n set Cfile = ${Bld}/$CFG\n set quote = '\"'\n\n echo > $Cfile\n echo \"model $EXEC;\" >> $Cfile\n echo >> $Cfile\n echo \"repo $REPOROOT;\" >> $Cfile\n echo >> $Cfile\n echo \"lib_base ${CMAQ_LIB};\" >> $Cfile\n echo >> $Cfile\n echo \"lib_1 ioapi/lib;\" >> $Cfile\n echo >> $Cfile\n echo \"lib_2 ioapi/include_files;\" >> $Cfile\n echo >> $Cfile\n echo \"lib_3 netcdf/include;\" >> $Cfile\n echo >> $Cfile\n echo \"lib_4 ioapi/lib;\" >> $Cfile\n echo >> $Cfile\n echo \"lib_5 netcdff/include;\" >> $Cfile\n echo >> $Cfile\n set text = \"$quote$CPP_FLAGS$quote;\"\n echo \"cpp_flags $text\" >> $Cfile\n echo >> $Cfile\n echo \"f_compiler $FC;\" >> $Cfile\n echo >> $Cfile\n echo \"fstd $quote$FSTD$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"dbg $quote$DBG$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"f_flags $quote$F_FLAGS$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"f90_flags $quote$F90_FLAGS$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"link_flags $quote$LINK_FLAGS$quote;\" >> $Cfile\n echo >> $Cfile\n#echo \"libraries $quote$LIBS$quote;\" >> $Cfile\n echo \"ioapi $quote$LIB2$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"netcdf $quote$netcdf_lib$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"netcdff $quote$netcdff_lib$quote;\" >> $Cfile\n\n set text = \"sitecmp_dailyo3\"\n echo \"// options are\" $text >> $Cfile\n echo \"Module ${ModDriver};\" >> $Cfile\n echo >> $Cfile\n\n#============================================================================================\n#> Use BLDMAKE to create the Makefile and model executable if desired\n#============================================================================================\n\n unalias mv rm\n\n#> Recompile BLDMAKE from source if requested or if it does not exist\n if ( $?CompileBLDMAKE || ! -f $BLDER ) then\n cd ${CMAQ_REPO}/UTIL/bldmake/scripts\n ./bldit_bldmake.csh\n endif\n \n#> Relocate to the BLD_* directory\n cd $Bld \n\n#> Set serial options for BLDMAKE execution\n set Blder = \"$BLDER -serial -verbose\"\n\n#> Run BLDMAKE Utility\n if ( $?MakeFileOnly ) then\n #> Just create the Makefile\n if ( $?CopySrc ) then\n $Blder -makefo $Cfile\n else\n $Blder -makefo -git_local $Cfile \n endif\n else \n # Also compile the model\n if ( $?CopySrc ) then\n $Blder $Cfile\n else\n $Blder -git_local $Cfile\n endif\n endif\n\n#> Save Makefile with Compiler-dependent name and create symbolic\n#> link back to generic name.\n mv Makefile Makefile.$compilerString\n if ( -e Makefile.$compilerString && -e Makefile ) rm Makefile\n ln -s Makefile.$compilerString Makefile\n\n#> Check for error during makefile generation\n if ( $status != 0 ) then\n echo \" *** failure in $Blder ***\"\n exit 1\n endif\n\n exit\n" }, { "path": "POST/sitecmp_dailyo3/scripts/run_sitecmp_dailyo3_AQS.csh", "content": "#! /bin/csh -f\n\n# ===================== SITECMP_DAILYO3_v5.5.X Run Script ===========\n# Usage: run_sitecmp_dailyo3_AQS.csh >&! sitecmp_dailyo3_AQS.log &\n#\n# To report problems or request help with this script/program:\n# http://www.epa.gov/cmaq (EPA CMAQ Website)\n# http://www.cmascenter.org\n# ===================================================================\n\n# ==================================================================\n#> Runtime Environment Options\n# ==================================================================\n\n#> Choose compiler and set up CMAQ environment with correct \n#> libraries using config.cmaq. Options: intel | gcc | pgi\n setenv compiler intel \n\n cd ../../..\n source ./config_cmaq.csh\n\n#> Set General Parameters for Configuring the Simulation\n set VRSN = v55 #> Code Version\n set PROC = mpi #> serial or mpi\n set MECH = cb6r3_ae7_aq #> Mechanism ID\n set APPL = Bench_2016_12SE1 #> Application Name (e.g. Gridname)\n \n#> Define RUNID as any combination of parameters above or others. By default,\n#> this information will be collected into this one string, $RUNID, for easy\n#> referencing in output binaries and log files as well as in other scripts.\n set RUNID = ${VRSN}_${compilerString}_${APPL}\n\n#> Set the build directory if this was not set above \n#> (this is where the executable is located by default).\n if ( ! $?BINDIR ) then\n set BINDIR = ${CMAQ_HOME}/POST/sitecmp_dailyo3/scripts/BLD_sitecmp_dailyo3_${VRSN}_${compilerString}\n endif\n\n#> Set the name of the executable.\n set EXEC = sitecmp_dailyo3_${VRSN}.exe\n\n#> Set output directory\n set POSTDIR = ${CMAQ_DATA}/POST #> Location where sitecmp_dailyo3 file will be written\n\n if ( ! -e $POSTDIR ) then\n\t mkdir $POSTDIR\n endif\n \n# =====================================================================\n#> SITECMP_DAILYO3 Configuration Options\n# =====================================================================\n\n#> Projection sphere type used by I/OAPI (use type #20 to match WRF/CMAQ)\n setenv IOAPI_ISPH 20\n\n#> define obs species \n setenv OBS_SPECIES O3\n\n#> define model species\n setenv OZONE \"1*O3,ppb\"\n\n#> Ozone convert factor (ppm to ppb)\n setenv OBS_FACTOR \"1\" # Multiply by 1000 to convert ppm to ppb\n\n#> define time window\n set SDATE = \"2016-07-01\" #> beginning date (July 1, 2011)\n set EDATE = \"2016-07-14\" #> ending date (July 14, 2011)\n setenv START_TIME 0 \n setenv END_TIME 230000 \n\n#> Convert SDATE and EDATE to Julian day.\n#> (required format for sitecmp START_DATE and END_DATE environment variables)\n setenv START_DATE `date -ud \"${SDATE}\" +%Y%j`\n setenv END_DATE `date -ud \"${EDATE}\" +%Y%j` \n\n#> Number of 8hr values to use when computing daily maximum 8hr ozone.\n#> Allowed values are 24 (use all 8-hr averages with starting hours \n#> from 0 - 23 hr local time) and 17 (use only the 17 8-hr averages\n#> with starting hours from 7 - 23 hr local time)\n setenv HOURS_8HRMAX 24\n# setenv HOURS_8HRMAX 17\n\n#> Start and end hours for partial days. (do not use for full day calculations)\n# setenv PARTIAL_DAY \"10,17\" \n\n#> adjust for daylight savings\n setenv APPLY_DLS N\n\n#> Number of hours to add when retrieving time steps from M3_FILE_n files during processing.\n#> This should only be non-zero if the M3_FILE_n files were pre-processed with a utility like m3tshift (default 0).\n setenv TIME_SHIFT 0\n\n#> indicate whether or not to check QA flag \n setenv QA_FLAG_CHECK N \n\n#> set missing value string\n setenv MISSING '-999'\n\n#> Indicates whether the Lambert x/y information should be included in the output file\n setenv LAMBXY N\n\n\n#############################################################\n# Input files\n#############################################################\n\n#> ioapi input files containing VNAMES (max of 10)\n setenv M3_FILE_1 ${CMAQ_DATA}/POST/COMBINE_ACONC_${RUNID}_201607.nc\n #[Add location of input file, e.g. COMBINE_ACONC file.]\n\n#> SITE FILE containing site-id, longitude, latitude, and optionally \n#> GMT offset, state, county, and elevation (csv format)\n#> The column headings for the required variables need to be \n#> stat_id, lon, and lat (case insensitive)\n#> The column headings for the optional variables need to be\n#> gmt_offset, state, county, and elevation (case insensitive)\n#> This file can be downloaded from\n#> https://github.com/USEPA/AMET/tree/master/obs/AQ/site_metadata_files\n setenv SITE_FILE AQS_full_site_list.csv\n#> On EPA system:\n# setenv SITE_FILE /work/MOD3EVAL/aq_obs/routine/site_metadata_files/AQS_full_site_list.csv\n\n#> input table containing site-id, time-period, and data fields\n#> AQS obs data in the format needed for sitecmp_dailyo3 are \n#> available starting in 2000 from the CMAS Data Warehouse Google Drive: \n#> https://drive.google.com/drive/folders/1QUlUXnHXvXz9qwePi5APzzHkiH5GWACw?usp=drive_link\n#> Hourly AQS observations are located in AMET_OBSDATA_YYYY.tar.gz for year YYYY.\n setenv IN_TABLE AQS_hourly_data_2016.csv\n#> One EPA system:\n# setenv IN_TABLE /work/MOD3EVAL/aq_obs/routine/2016/AQS_hourly_data_2016.csv\n\n#############################################################\n# Output files\n#############################################################\n\n#> output table (comma delimited text file importable to Excel)\n setenv OUT_TABLE ${POSTDIR}/AQS_Daily_CMAQ_${RUNID}_201607.csv\n\n\n#> Executable call:\n ${BINDIR}/${EXEC}\n\n set progstat = ${status}\n if ( ${progstat} ) then\n echo \"ERROR ${progstat} in $BINDIR/$EXEC\"\n exit( ${progstat} )\n endif\n\n exit()\n" }, { "path": "POST/sitecmp_dailyo3/scripts/run_sitecmp_dailyo3_CASTNET.csh", "content": "#! /bin/csh -f\n\n# ===================== SITECMP_DAILYO3_v5.5.X Run Script ===========\n# Usage: run_sitecmp_dailyo3_CASTNET.csh >&! sitecmp_dailyo3_CASTNET.log &\n#\n# To report problems or request help with this script/program:\n# http://www.epa.gov/cmaq (EPA CMAQ Website)\n# http://www.cmascenter.org\n# ===================================================================\n\n# ==================================================================\n#> Runtime Environment Options\n# ==================================================================\n\n#> Choose compiler and set up CMAQ environment with correct \n#> libraries using config.cmaq. Options: intel | gcc | pgi\n setenv compiler intel \n\n cd ../../..\n source ./config_cmaq.csh\n\n#> Set General Parameters for Configuring the Simulation\n set VRSN = v55 #> Code Version\n set PROC = mpi #> serial or mpi\n set MECH = cb6r3_ae7_aq #> Mechanism ID\n set APPL = Bench_2016_12SE1 #> Application Name (e.g. Gridname)\n \n#> Define RUNID as any combination of parameters above or others. By default,\n#> this information will be collected into this one string, $RUNID, for easy\n#> referencing in output binaries and log files as well as in other scripts.\n set RUNID = ${VRSN}_${compilerString}_${APPL}\n\n#> Set the build directory if this was not set above \n#> (this is where the executable is located by default).\n if ( ! $?BINDIR ) then\n set BINDIR = ${CMAQ_HOME}/POST/sitecmp_dailyo3/scripts/BLD_sitecmp_dailyo3_${VRSN}_${compilerString}\n endif\n\n#> Set the name of the executable.\n set EXEC = sitecmp_dailyo3_${VRSN}.exe\n\n#> Set output directory\n set POSTDIR = ${CMAQ_DATA}/POST #> Location where sitecmp_dailyo3 file will be written\n\n if ( ! -e $POSTDIR ) then\n\t mkdir $POSTDIR\n endif\n\n# =====================================================================\n#> SITECMP_DAILYO3 Configuration Options\n# =====================================================================\n\n#> Projection sphere type used by I/OAPI (use type #20 to match WRF/CMAQ)\n setenv IOAPI_ISPH 20\n\n#> define obs species \n setenv OBS_SPECIES OZONE\n\n#> define model species\n setenv OZONE \"1*O3,ppb\"\n\n#> Ozone convert factor (ppm to ppb)\n setenv OBS_FACTOR \"1\" # Multiply by 1000 to convert ppm to ppb\n\n#> define time window\n set SDATE = \"2016-07-01\" #> beginning date (July 1, 2016)\n set EDATE = \"2016-07-14\" #> ending date (July 14, 2016)\n setenv START_TIME 0 \n setenv END_TIME 230000 \n\n#> Convert SDATE and EDATE to Julian day.\n#> (required format for sitecmp START_DATE and END_DATE environment variables)\n setenv START_DATE `date -ud \"${SDATE}\" +%Y%j`\n setenv END_DATE `date -ud \"${EDATE}\" +%Y%j` \n\n#> Number of 8hr values to use when computing daily maximum 8hr ozone.\n#> Allowed values are 24 (use all 8-hr averages with starting hours \n#> from 0 - 23 hr local time) and 17 (use only the 17 8-hr averages\n#> with starting hours from 7 - 23 hr local time)\n setenv HOURS_8HRMAX 24\n# setenv HOURS_8HRMAX 17\n\n#> Start and end hours for partial days. (do not use for full day calculations)\n# setenv PARTIAL_DAY \"10,17\" \n\n#> adjust for daylight savings\n setenv APPLY_DLS N\n\n#> Number of hours to add when retrieving time steps from M3_FILE_n files during processing.\n#> This should only be non-zero if the M3_FILE_n files were pre-processed with a utility like m3tshift (default 0).\n setenv TIME_SHIFT 0\n\n#> indicate whether or not to check QA flag\n setenv QA_FLAG_CHECK Y \n setenv QA_FLAG_HEADER \"OZONE_F\" \n setenv QA_FLAG_VALUES \"BCDFIMP\" \n\n#> set missing value string\n setenv MISSING '-999'\n\n#> Indicates whether the Lambert x/y information should be included in the output file\n setenv LAMBXY N\n\n\n#############################################################\n# Input files\n#############################################################\n\n#> ioapi input files containing VNAMES (max of 10)\n setenv M3_FILE_1 ${CMAQ_DATA}/POST/COMBINE_ACONC_${RUNID}_201607.nc\n #[Add location of input file, e.g. COMBINE_ACONC file.]\n\n#> SITE FILE containing site-id, longitude, latitude, and optionally \n#> GMT offset, state, county, and elevation (csv format)\n#> The column headings for the required variables need to be \n#> stat_id, lon, and lat (case insensitive)\n#> The column headings for the optional variables need to be\n#> gmt_offset, state, county, and elevation (case insensitive)\n#> This file can be downloaded from\n#> https://github.com/USEPA/AMET/tree/master/obs/AQ/site_metadata_files\n setenv SITE_FILE CASTNET_full_site_list.csv\n#> On EPA system:\n# setenv SITE_FILE /work/MOD3EVAL/aq_obs/routine/site_metadata_files/CASTNET_full_site_list.csv\n\n#> input table containing site-id, time-period, and data fields\n#> CASTNET obs data in the format needed for sitecmp_dailyo3 are \n#> available starting in 2000 from the CMAS Data Warehouse Google Drive: \n#> https://drive.google.com/drive/folders/1QUlUXnHXvXz9qwePi5APzzHkiH5GWACw?usp=drive_link\n#> Hourly CASTNET observations are located in AMET_OBSDATA_YYYY.tar.gz for year YYYY.\n setenv IN_TABLE CASTNET_hourly_data_2016.csv\n#> One EPA system:\n# setenv IN_TABLE /work/MOD3EVAL/aq_obs/routine/2016/CASTNET_hourly_data_2016.csv\n\n\n#############################################################\n# Output files\n#############################################################\n\n#> output table (comma delimited text file importable to Excel)\n setenv OUT_TABLE ${POSTDIR}/CASTNET_Daily_CMAQ_${RUNID}_201607.csv\n\n#> Executable call:\n ${BINDIR}/${EXEC}\n\n set progstat = ${status}\n if ( ${progstat} ) then\n echo \"ERROR ${progstat} in $BINDIR/$EXEC\"\n exit( ${progstat} )\n endif\n \n exit()\n" }, { "path": "POST/sitecmp_dailyo3/src/ck_ctms.F", "content": "!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE CK_M3FLS()\n\nC*************************************************************************\nC\nC FUNCTION: To check multiple input CTM conc files for consistent\nC header data\nC \nC PRECONDITIONS: None\nC \nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Prototype created by Jerry Gipson, January, 1998\nC Modified by JG May, 1999 to change way reals are\nC checked\nC \nC*************************************************************************\n USE M3FILES\n USE M3UTILIO\n\n IMPLICIT NONE \n\nC..INCLUDE FILES:\nC INCLUDE SUBST_IOPARMS ! IOAPI parameters\nC INCLUDE SUBST_IOFDESC ! IOAPI file description\nC INCLUDE SUBST_IODECL ! IOAPI declarations\n\n\nC..ARGUMENTS:\n\nC..PARAMETERS: None\n\nC..EXTERNAL FUNCTIONS:\nC INTEGER INDEX1 ! Get index on string in a list of strings\n INTEGER TRIMLEN ! Get last non-blank character pos in string\n\nC..SAVED LOCAL VARIABLES: None\n\nC..SCRATCH LOCAL VARIABLES:\n CHARACTER*80 MSG ! Log message\n CHARACTER*16 PNAME ! Program Name\n CHARACTER*15 VAL1 ! Character value of real\n CHARACTER*15 VAL2 ! Character value of real\n\n INTEGER L, N ! Loop indices\n INTEGER FTYPE1 ! File 1 file type\n INTEGER NCOLS1 ! File 1 number of columns\n INTEGER NROWS1 ! File 1 number of rows\n INTEGER NLAYS1 ! File 1 number of levels\n INTEGER SDATE1 ! File 1 start date\n INTEGER STIME1 ! File 1 start time\n INTEGER TSTEP1 ! File 1 time step\n INTEGER MXREC1 ! File 1 number of time steps\n INTEGER NTHIK1 ! File 1 boundary thickness\n INTEGER GDTYP1 ! File 1 horizontal grid type\n INTEGER VGTYP1 ! File 1 Vertical coordinate type\n\n LOGICAL LERROR ! Error Flag\n LOGICAL LSTOP ! Exit Flag\n\n REAL P_ALP1 ! File 1 map projection parameter \n REAL P_BET1 ! File 1 map projection parameter \n REAL P_GAM1 ! File 1 map projection parameter\n REAL XORIG1 ! File 1 X-origin\n REAL YORIG1 ! File 1 Y-origin\n REAL XCELL1 ! File 1 X-dimension of cells\n REAL YCELL1 ! File 1 Y-dimension of cells\n REAL XCENT1 ! File 1 X-center of coordinate system\n REAL YCENT1 ! File 1 Y-center of coordinate system\n REAL VGTOP1 ! File 1 model top\n\n REAL VGLVS1( MXLAYS3 + 1 ) ! File vertical layer heights\n \nC**********************************************************************\n DATA PNAME / 'CK_M3FLS' /\n\n LSTOP = .FALSE.\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get header data for CTM file 1\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF( .NOT. DESC3 ( M3_FLNAME( 1 ) ) ) THEN\n MSG = 'Could not read DESC of ' // M3_FLNAME( 1 ) \n & // ' file'\n CALL M3ERR( PNAME, 0, 0, MSG, .TRUE. )\n ENDIF\n\n FTYPE1 = FTYPE3D\n NCOLS1 = NCOLS3D\n NROWS1 = NROWS3D\n NLAYS1 = NLAYS3D\n SDATE1 = SDATE3D\n STIME1 = STIME3D\n TSTEP1 = TSTEP3D\n MXREC1 = MXREC3D\n NTHIK1 = NTHIK3D\n GDTYP1 = GDTYP3D\n P_ALP1 = P_ALP3D\n P_BET1 = P_BET3D\n P_GAM1 = P_GAM3D\n XORIG1 = XORIG3D\n YORIG1 = YORIG3D\n XCELL1 = XCELL3D\n YCELL1 = YCELL3D\n XCENT1 = XCENT3D\n YCENT1 = YCENT3D\n VGTYP1 = VGTYP3D\n VGTOP1 = VGTOP3D\n DO N = 1 , NLAYS3D + 1\n VGLVS1( N ) = VGLVS3D( N )\n ENDDO\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Check to see that requested variable is on all files\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n DO N = 1, N_M3FILES\n\n IF( .NOT. DESC3 ( M3_FLNAME( N ) ) ) THEN\n MSG = 'Could not read DESC of ' // M3_FLNAME( N ) \n & // ' file'\n CALL M3ERR( PNAME, 0, 0, MSG, .TRUE. )\n ENDIF\n\n ENDDO\n\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Write out report data\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF( N_M3FILES .GT. 1 ) THEN \n MSG = 'Multiple Models-3 files being used' \n CALL M3MESG( MSG )\n MSG = 'Files being checked for consistent header data' \n CALL M3MESG( MSG )\n ENDIF\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Compare header data on file 1 with header data on other CTM files\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n DO N = 2, N_M3FILES\n\n WRITE( MSG, '( ''Differences found between files '', A, \n & '' and '', A )' ) \n & M3_FLNAME( 1 ) ( 1 : TRIMLEN( M3_FLNAME( 1 ) ) ), \n & M3_FLNAME( N ) ( 1 : TRIMLEN( M3_FLNAME( N ) ) )\n\n CALL M3MESG( MSG )\n\n LERROR = .FALSE.\n\n\n IF( .NOT. DESC3 ( M3_FLNAME( N ) ) ) THEN\n MSG = 'Could not read DESC of ' // M3_FLNAME( N ) \n & // ' file'\n CALL M3ERR( PNAME, 0, 0, MSG, .TRUE. )\n ENDIF\n \n IF( FTYPE1 .NE. FTYPE3D ) THEN\n WRITE( LOGUNIT, 94020 ) FTYPE1, N, FTYPE3D\n LERROR = .TRUE.\n ENDIF\n\n IF( NCOLS1 .NE. NCOLS3D ) THEN\n WRITE( LOGUNIT, 94040 ) NCOLS1, N, NCOLS3D\n LERROR = .TRUE.\n ENDIF\n\n IF( NROWS1 .NE. NROWS3D ) THEN\n WRITE( LOGUNIT, 94060 ) NROWS1, N, NROWS3D\n LERROR = .TRUE.\n ENDIF\n\n IF( NLAYS1 .NE. NLAYS3D ) THEN\n WRITE( LOGUNIT, 94080 ) NLAYS1, N, NLAYS3D\n LERROR = .TRUE.\n ENDIF\n\n IF( TSTEP1 .NE. TSTEP3D ) THEN\n WRITE( LOGUNIT, 94140 ) TSTEP1, N, TSTEP3D\n LERROR = .TRUE.\n ENDIF\n\n IF( NTHIK1 .NE. NTHIK3D ) THEN\n WRITE( LOGUNIT, 94180 ) NTHIK1, N, NTHIK3D\n LERROR = .TRUE.\n ENDIF\n\n IF( GDTYP1 .NE. GDTYP3D ) THEN\n WRITE( LOGUNIT, 94200 ) GDTYP1, N, GDTYP3D\n LERROR = .TRUE.\n ENDIF\n\n WRITE( VAL1, 94000 ) P_ALP1\n WRITE( VAL2, 94000 ) P_ALP3D\n IF( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94220 ) P_ALP1, N, P_ALP3D\n LERROR = .TRUE.\n ENDIF\n\n WRITE( VAL1, 94000 ) P_BET1\n WRITE( VAL2, 94000 ) P_BET3D\n IF( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94240 ) P_BET1, N, P_BET3D\n LERROR = .TRUE.\n ENDIF\n\n WRITE( VAL1, 94000 ) P_GAM1\n WRITE( VAL2, 94000 ) P_GAM3D\n IF( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94260 ) P_GAM1, N, P_GAM3D\n LERROR = .TRUE.\n ENDIF\n\n WRITE( VAL1, 94000 ) XORIG1\n WRITE( VAL2, 94000 ) XORIG3D\n IF( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94280 ) XORIG1, N, XORIG3D\n LERROR = .TRUE.\n ENDIF\n\n WRITE( VAL1, 94000 ) YORIG1\n WRITE( VAL2, 94000 ) YORIG3D\n IF( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94300 ) YORIG1, N, YORIG3D\n LERROR = .TRUE.\n ENDIF\n\n WRITE( VAL1, 94000 ) XCELL1\n WRITE( VAL2, 94000 ) XCELL3D\n IF( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94320 ) XCELL1, N, XCELL3D\n LERROR = .TRUE.\n ENDIF\n\n WRITE( VAL1, 94000 ) YCELL1\n WRITE( VAL2, 94000 ) YCELL3D\n IF( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94340 ) YCELL1, N, YCELL3D\n LERROR = .TRUE.\n ENDIF\n\n WRITE( VAL1, 94000 ) XCENT1\n WRITE( VAL2, 94000 ) XCENT3D\n IF( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94360 ) XCENT1, N, XCENT3D\n LERROR = .TRUE.\n ENDIF\n\n WRITE( VAL1, 94000 ) YCENT1\n WRITE( VAL2, 94000 ) YCENT3D\n IF( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94380 ) YCENT1, N, YCENT3D\n LERROR = .TRUE.\n ENDIF\n\n WRITE( VAL1, 94000 ) VGTOP1\n WRITE( VAL2, 94000 ) VGTOP3D\n IF( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94420 ) VGTOP1, N, VGTOP3D\n LERROR = .TRUE.\n ENDIF\n\n DO L = 1 , NLAYS1 + 1\n WRITE( VAL1, 94000 ) VGLVS1( L )\n WRITE( VAL2, 94000 ) VGLVS3D( L )\n IF( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94440 ) L, VGLVS1( L ), N, L,\n & VGLVS3D( L ) \n LERROR = .TRUE.\n ENDIF\n ENDDO\n \n IF( .NOT. LERROR ) THEN\n WRITE( LOGUNIT, 94460 )\n ELSE\n LSTOP = .TRUE.\n ENDIF\n\n\n ENDDO\n\n IF( LSTOP ) THEN\n MSG = 'Missing variable or file inconsistencies detected: stopping' \n CALL M3ERR( PNAME, 0, 0, MSG, .TRUE. )\n ENDIF\n \n RETURN\n\nC************************* FORMAT STATEMENTS ***************************\n\n94000 FORMAT( E15.5 )\n94020 FORMAT(10X, 'FTYPE1 = ', I3, ' FTYPE', I1, ' = ', I3 )\n94040 FORMAT(10X, 'NCOLS1 = ', I3, ' NCOLS', I1, ' = ', I3 )\n94060 FORMAT(10X, 'NROWS1 = ', I3, ' NROWS', I1, ' = ', I3 )\n94080 FORMAT(10X, 'NLAYS1 = ', I3, ' NLAYS', I1, ' = ', I3 )\n94100 FORMAT(10X, 'SDATE1 = ', I3, ' SDATE', I1, ' = ', I3 )\n94120 FORMAT(10X, 'STIME1 = ', I3, ' STIME', I1, ' = ', I3 )\n94140 FORMAT(10X, 'TSTEP1 = ', I3, ' TSTEP', I1, ' = ', I3 )\n94160 FORMAT(10X, 'MXREC1 = ', I3, ' MXREC', I1, ' = ', I3 )\n94180 FORMAT(10X, 'NTHIK1 = ', I3, ' NTHIK', I1, ' = ', I3 )\n94200 FORMAT(10X, 'GDTYP1 = ', I3, ' GDTYP', I1, ' = ', I3 )\n94220 FORMAT(10X, 'P_ALP1 = ', 1PE12.5, ' P_ALP', I1, ' = ', 1PE12.5 )\n94240 FORMAT(10X, 'P_BET1 = ', 1PE12.5, ' P_BET', I1, ' = ', 1PE12.5 )\n94260 FORMAT(10X, 'P_GAM1 = ', 1PE12.5, ' P_GAM', I1, ' = ', 1PE12.5 )\n94280 FORMAT(10X, 'XORIG1 = ', 1PE12.5, ' XORIG', I1, ' = ', 1PE12.5 )\n94300 FORMAT(10X, 'YORIG1 = ', 1PE12.5, ' YORIG', I1, ' = ', 1PE12.5 )\n94320 FORMAT(10X, 'XCELL1 = ', 1PE12.5, ' XCELL', I1, ' = ', 1PE12.5 )\n94340 FORMAT(10X, 'YCELL1 = ', 1PE12.5, ' YCELL', I1, ' = ', 1PE12.5 )\n94360 FORMAT(10X, 'XCENT1 = ', 1PE12.5, ' XCENT', I1, ' = ', 1PE12.5 )\n94380 FORMAT(10X, 'YCENT1 = ', 1PE12.5, ' YCENT', I1, ' = ', 1PE12.5 )\n94420 FORMAT(10X, 'VGTOP1 = ', 1PE12.5, ' VGTOP', I1, ' = ', 1PE12.5 )\n94440 FORMAT(10X, 'VGLVS1(', I2, ' ) = ', 1PE12.5, ' VGLVS', I1,\n & '(', I2, ' ) = ', 1PE12.5 )\n94445 FORMAT(10X, 'Variable ', A, ' not on file ', A )\n94460 FORMAT(10X, 'NONE' )\n\n END\n" }, { "path": "POST/sitecmp_dailyo3/src/get_units.F", "content": "!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC Routine to return the units of a variable for file M3_FLNAME(1)\n\n SUBROUTINE GET_UNITS( VARNAME, UNITS )\n\n USE M3FILES\n USE ENV_VARS\n USE M3UTILIO\n\n IMPLICIT NONE \n\nC..INCLUDE FILES:\nC INCLUDE SUBST_IOPARMS ! IOAPI parameters\nC INCLUDE SUBST_IOFDESC ! IOAPI file description\nC INCLUDE SUBST_IODECL ! IOAPI declarations\n\n\nC..ARGUMENTS:\n CHARACTER*(*) VARNAME\n CHARACTER*(*) UNITS\n\nC..SCRATCH LOCAL VARIABLES:\n CHARACTER*16 PNAME ! Program Name\n CHARACTER*256 MSG\n INTEGER I\n\n\n DATA PNAME / 'CK_M3FLS' /\n UNITS = 'na'\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get header data for CTM file 1\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF( .NOT. DESC3 ( M3_FLNAME( 1 ) ) ) THEN\n MSG = 'Could not read DESC of ' // M3_FLNAME( 1 ) \n & // ' file'\n CALL M3ERR( PNAME, 0, 0, MSG, .TRUE. )\n RETURN\n ENDIF\n\n\n ! find matching variable, and return it's units\n DO I=1,MXVARS3\n if( VNAME3D(i) .eq. VARNAME ) UNITS = UNITS3D(I)\n EndDo\n\n RETURN\n \n END\n" }, { "path": "POST/sitecmp_dailyo3/src/module_envvar.F", "content": "!------------------------------------------------------------------------!\r\n! The Community Multiscale Air Quality (CMAQ) system software is in !\r\n! continuous development by various groups and is based on information !\r\n! from these groups: Federal Government employees, contractors working !\r\n! within a United States Government contract, and non-Federal sources !\r\n! including research institutions. These groups give the Government !\r\n! permission to use, prepare derivative works of, and distribute copies !\r\n! of their work in the CMAQ system to the public and to permit others !\r\n! to do so. The United States Environmental Protection Agency !\r\n! therefore grants similar permission to use the CMAQ system software, !\r\n! but users are requested to provide copies of derivative works or !\r\n! products designed to operate in the CMAQ system to the United States !\r\n! Government without restrictions as to use by others. Software !\r\n! that is used with the CMAQ system but distributed under the GNU !\r\n! General Public License or the GNU Lesser General Public License is !\r\n! subject to their copyright restrictions. !\r\n!------------------------------------------------------------------------!\r\n\r\n MODULE ENV_VARS\r\n\r\nC*************************************************************************\r\nC\r\nC FUNCTION: To get environment variables\r\nC \r\nC PRECONDITIONS: None\r\nC \r\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\r\nC\r\nC REVISION HISTORY: Prototype created by Jerry Gipson, July, 1999\r\nC \r\nC*************************************************************************\r\n\r\n CHARACTER*256 IN_TABLE ! Input table of actual values \r\n\r\n CHARACTER*256 OUT_TABLE ! Output table containing both actual and modeled values \r\n CHARACTER*256 AVG_TABLE ! Output table containing averages over time period\r\n\r\n INTEGER START_DATE ! starting date of period to process\r\n INTEGER START_TIME ! starting time of period to process\r\n INTEGER END_DATE ! ending date of period to process\r\n INTEGER END_TIME ! ending time of period to process\r\n\r\n INTEGER HOUR_START ! starting hour for partial day\r\n INTEGER HOUR_END ! ending hour for partial day \r\n\r\n INTEGER HOURS_8HRMAX ! number of 8hr values to compute 8hr max \r\n\r\n INTEGER TIME_SHIFT ! hours to adjust model data \r\n \r\n LOGICAL APPLYDLS ! Daylight Savings flag\r\n\r\n! LOGICAL COMPUTE_MAX ! Output maximun hourly values flag\r\n! LOGICAL COMPUTE_SUM06 ! Output SUM06 values flag\r\n\r\n LOGICAL LAMBXY ! Output Lambert x,y flag\r\n\r\n CHARACTER*16 MISSING_VALUE ! indicates missing value in output\r\n\r\n! CHARACTER*16 NETWORK_OBS ! indicates observational network (AQS or CASTNET)\r\n\r\n CHARACTER*16 OBS_SPECIES_NAME! name of the observed species in the header line\r\n\r\n CHARACTER*16 QA_FLAG_NAME ! name of the qa flag field in the header line\r\n\r\n CHARACTER*16 QA_FLAG_STRING ! string of QA flags indicating invalid obs\r\n\r\n LOGICAL FILL_MISSING ! Fill total period even if observed data is missing \r\n\r\n LOGICAL MISS_CHECK ! check for incomplete number of values in day \r\n\r\n LOGICAL QAFLAG_CHECK ! does the observation file include a QA flag? \r\n\r\n CONTAINS\r\n\r\n SUBROUTINE GET_ENVS\r\nC*************************************************************************\r\nC\r\nC FUNCTION: To get environment variables\r\nC \r\nC \r\nC*************************************************************************\r\n USE M3UTILIO\r\n\r\n IMPLICIT NONE \r\n\r\nC..INCLUDES: \r\nC INCLUDE SUBST_IOPARMS ! IOAPI parameters\r\nC INCLUDE SUBST_IOFDESC ! IOAPI file description\r\nC INCLUDE SUBST_IODECL ! IOAPI declarations\r\n \r\n\r\nC..EXTERNAL FUNCTIONS:\r\nC INTEGER INDEX1\r\nC INTEGER ENVINT\r\nC LOGICAL ENVYN\r\nC LOGICAL STRLIST\r\n INTEGER getParsedNumber\r\n\r\nC..SAVED LOCAL VARIABLES: None\r\n\r\nC..SCRATCH LOCAL VARIABLES:\r\n CHARACTER*16 PNAME ! Program Name\r\n CHARACTER*16 INTABLE ! Env var for input table file name\r\n CHARACTER*16 OUTTABLE ! Env var for output table file name\r\n CHARACTER*16 APPLY_DLS ! Env var that indicates if DLS should apply\r\n CHARACTER*16 MISSING ! Env var to use to indicate missing values \r\n CHARACTER*16 NETWORK ! Env var to use to indicate network \r\n CHARACTER*16 PARTIAL_DAY ! Env var to use to define hours for partial day\r\n \r\n CHARACTER*16 OBS_SPECIES ! name of the observed species in the header line\r\n CHARACTER*16 QA_FLAG_CHECK ! name of the qa flag field in the header line\r\n CHARACTER*16 QA_FLAG_HEADER ! name of the qa flag field in the header line\r\n CHARACTER*16 QA_FLAG_VALUES ! string of QA flags indicating invalid obs\r\n\r\n CHARACTER*80 MSG ! Error message\r\n CHARACTER*256 RET_VAL ! Returned value of env var\r\n CHARACTER*16 ENV_DFLT ! default env value \r\n CHARACTER*16 ENV_DESC ! message string\r\n INTEGER STATUS ! Status code\r\n LOGICAL LERROR ! Error flag\r\n\r\n CHARACTER*80 RECORD \r\n CHARACTER*16 FIELD \r\n\r\n CHARACTER*16 VARS(20) ! Env var for list of variables\r\n INTEGER I\r\n\r\nC**********************************************************************\r\n DATA PNAME / 'GET_ENVS' /\r\n DATA INTABLE / 'IN_TABLE' /\r\n DATA OUTTABLE / 'OUT_TABLE' / \r\n DATA APPLY_DLS / 'APPLY_DLS' / \r\n DATA MISSING / 'MISSING' / \r\n DATA NETWORK / 'NETWORK' / \r\n DATA PARTIAL_DAY / 'PARTIAL_DAY' / \r\n DATA OBS_SPECIES / 'OBS_SPECIES' / \r\n DATA QA_FLAG_HEADER / 'QA_FLAG_HEADER' / \r\n DATA QA_FLAG_VALUES / 'QA_FLAG_VALUES' / \r\n DATA QA_FLAG_CHECK / 'QA_FLAG_CHECK' / \r\n\r\n LERROR = .FALSE.\r\n \r\n\r\n\r\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\r\nc Get the name of the input table file\r\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\r\n ENV_DFLT = 'INTABLE'\r\n ENV_DESC = 'Input Table name' \r\n CALL ENVSTR( INTABLE, ENV_DESC, ENV_DFLT, IN_TABLE, STATUS)\r\n\r\n IF( STATUS .NE. 0 ) THEN\r\n MSG = 'ERROR: no file name assigned to '//INTABLE\r\n CALL M3MESG( MSG )\r\n LERROR = .TRUE.\r\n ENDIF\r\n\r\n\r\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\r\nc Get the name of the output table file\r\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\r\n ENV_DFLT = 'out.csv'\r\n ENV_DESC = 'Output Table name' \r\n CALL ENVSTR( OUTTABLE, ENV_DESC, ENV_DFLT, OUT_TABLE, STATUS)\r\n\r\n\r\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\r\nc Get the Character string to indicate the name of the obs variable\r\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc \r\n ENV_DFLT = 'O3'\r\n ENV_DESC = 'String to indicate observed species name' \r\n CALL ENVSTR( OBS_SPECIES, ENV_DESC, ENV_DFLT, OBS_SPECIES_NAME, STATUS)\r\n\r\n IF( STATUS .NE. 0 ) THEN\r\n MSG = 'WARNING: no value assigned to '//OBS_SPECIES\r\n CALL M3MESG( MSG )\r\n MSG = 'USING DEFAULT '//ENV_DFLT\r\n CALL M3MESG( MSG )\r\n ENDIF\r\n\r\n\r\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\r\nc Get the starting and ending dates and times\r\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\r\n\r\nC...get starting date and time\r\n start_date = ENVINT('START_DATE','Start date for average period', 0, STATUS)\r\n start_time = ENVINT('START_TIME','Start time for average period', 0, STATUS)\r\n\r\nC...get ending date and time\r\n end_date = ENVINT('END_DATE','End date for average period', 0, STATUS)\r\n end_time = ENVINT('END_TIME','End time for average period', 0, STATUS)\r\n\r\n\r\n if(( start_date .gt. end_date ) .or.\r\n & ( start_date .eq. end_date .and. start_time .gt. end_time )) then\r\n MSG = '**Error** Invalid time window defined, start_time > end_time'\r\n CALL M3ERR( PNAME, 0, 0, MSG, .TRUE. ) \r\n Stop\r\n Endif\r\n\r\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc \r\nc Get the TIME Shift adjustment in hours \r\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc \r\n ENV_DESC = 'Hours added to model data read' \r\n TIME_SHIFT= ENVINT( 'TIME_SHIFT', ENV_DESC, 0, STATUS) \r\n\r\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc \r\nc Get the HOURS_8HRMAX environment variable (default is 24) \r\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc \r\n ENV_DESC = 'Number of 8hr values to use when computing DM8HR' \r\n HOURS_8HRMAX= ENVINT( 'HOURS_8HRMAX', ENV_DESC, 24, STATUS) \r\n\t \r\n if ( ( HOURS_8HRMAX .NE. 24) .AND. ( HOURS_8HRMAX .NE. 17) ) THEN \r\n\r\n MSG = '**Error** Invalid value for HOURS_8HRMAX, use 24 or 17'\r\n CALL M3ERR( PNAME, 0, 0, MSG, .TRUE. ) \r\n Stop\r\n Endif\r\n\r\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\r\nc Get the DLS apply flag (default is false)\r\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc \r\n ENV_DESC = 'Flag to apply Daylight Saving adjustment' \r\n APPLYDLS = ENVYN( APPLY_DLS, ENV_DESC, .FALSE., STATUS)\r\n\r\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\r\nc Get the COMPUTE_MAX flag (default is false)\r\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc \r\nc ENV_DESC = 'Flag to output maximun hourly values' \r\nc COMPUTE_MAX = ENVYN( 'COMPUTE_MAX', ENV_DESC, .FALSE., STATUS)\r\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc \r\nc Get the HOUR_VALUES flag (default is false) \r\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc \r\nc ENV_DESC = 'Flag to output SUM06 values' \r\nc COMPUTE_SUM06 = ENVYN( 'COMPUTE_SUM06', ENV_DESC, .FALSE., STATUS) \r\n\r\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\r\nc Get the LAMBXY flag (default is false)\r\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc \r\n ENV_DESC = 'Flag to output Lambert X,Y values' \r\n LAMBXY = ENVYN( 'LAMBXY', ENV_DESC, .FALSE., STATUS)\r\n\r\n\r\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\r\nc Get the Character string to use for missing values\r\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc \r\n ENV_DESC = 'String to indicate missing values' \r\n CALL ENVSTR( MISSING, ENV_DESC, 'm', MISSING_VALUE, STATUS)\r\n\r\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\r\nc Get the Character string to indicate CASTNET or AQS observations (default AQS)\r\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc \r\nc ENV_DFLT = 'AQS'\r\nc ENV_DESC = 'String to indicate network (AQS or CASTNET)' \r\nc CALL ENVSTR( NETWORK, ENV_DESC, ENV_DFLT, NETWORK_OBS, STATUS)\r\n\r\nc if(( TRIM(NETWORK_OBS) .ne. 'AQS' ) .and.\r\nc & ( TRIM(NETWORK_OBS) .ne. 'CASTNET' )) then\r\nc MSG = '**Error** NETWORK MUST BE SET TO AQS OR CASTNET'\r\nc CALL M3ERR( PNAME, 0, 0, MSG, .TRUE. ) \r\nc Stop\r\nc Endif\r\n\r\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\r\nc Get the flag to see if a QA field is present in obs file (default is false)\r\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc \r\n ENV_DESC = 'Flag to indicate whether QA flag field is present' \r\n QAFLAG_CHECK = ENVYN( QA_FLAG_CHECK, ENV_DESC, .FALSE., STATUS)\r\n\r\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\r\nc Get the Character strings for the QA flag header and QA flag strings\r\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc \r\n IF (QAFLAG_CHECK) THEN\r\n \r\n ENV_DFLT = 'OZONE_F'\r\n ENV_DESC = 'Header string to indicate QA flag' \r\n CALL ENVSTR( QA_FLAG_HEADER, ENV_DESC, ENV_DFLT, QA_FLAG_NAME, STATUS)\r\n\r\n IF( STATUS .NE. 0 ) THEN\r\n MSG = 'WARNING: no value assigned to '//QA_FLAG_HEADER\r\n CALL M3MESG( MSG )\r\n MSG = 'USING DEFAULT '//ENV_DFLT\r\n CALL M3MESG( MSG )\r\n ENDIF\r\n\r\n ENV_DFLT = 'BCDFIMP'\r\n ENV_DESC = 'String containing the QA flag values to indicate bad data' \r\n CALL ENVSTR( QA_FLAG_VALUES, ENV_DESC, ENV_DFLT, QA_FLAG_STRING, STATUS)\r\n\r\n IF( STATUS .NE. 0 ) THEN\r\n MSG = 'WARNING: no value assigned to '//QA_FLAG_VALUES\r\n CALL M3MESG( MSG )\r\n MSG = 'USING DEFAULT '//ENV_DFLT\r\n CALL M3MESG( MSG )\r\n ENDIF\r\n\r\n ENDIF\r\n\r\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\r\nc Get the switch for filling total time period\r\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc \r\n ENV_DESC = 'Flag to indicate to fill missing data records' \r\n FILL_MISSING = ENVYN('FILL_MISSING', ENV_DESC, .FALSE., STATUS)\r\n MISS_CHECK = ENVYN('MISS_CHECK', 'Set Incomplete days to missing', .TRUE., STATUS)\r\n\r\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc \r\nc Get the partial day hours\r\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc \r\n ENV_DFLT = '' \r\n ENV_DESC = 'partial day start and end hours' \r\n CALL ENVSTR( PARTIAL_DAY, ENV_DESC, ENV_DFLT, RECORD, STATUS) \r\n \r\n HOUR_START = -1\r\n HOUR_END = -1 \r\n \r\n if( getParsedNumber(record, ',') .eq. 2 ) Then\r\n Call getParsedField( record, ',', 1, field, .false. )\r\n read(field,*,iostat=status) hour_start\r\n if(status.ne.0) hour_start = -1\r\n\r\n Call getParsedField( record, ',', 2, field, .false. ) \r\n read(field,*,iostat=status) hour_end \r\n if(status.ne.0) hour_end = -1 \r\n\r\n IF( hour_end .lt. hour_start ) THEN\r\n MSG = 'Error invalid partial day hours -- stopping' \r\n CALL M3ERR( PNAME, 0, 0, MSG, .TRUE. ) \r\n ENDIF \r\n endif\r\n \r\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\r\nc Stop if errors detected\r\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\r\n\r\n IF( LERROR ) THEN\r\n MSG = 'Error in assigning environment variables -- stopping'\r\n CALL M3ERR( PNAME, 0, 0, MSG, .TRUE. ) \r\n ENDIF\r\n\r\n\r\n RETURN\r\n\r\n END SUBROUTINE GET_ENVS\r\n\r\n END MODULE ENV_VARS\r\n" }, { "path": "POST/sitecmp_dailyo3/src/module_file.F", "content": "!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n MODULE M3FILES\n\nC*************************************************************************\nC\nC FUNCTION: To set-up file data\nC \nC PRECONDITIONS: None\nC \nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Prototype created by Jerry Gipson, July, 1999\nC \nC*************************************************************************\n\n USE M3UTILIO\n\n INTEGER LOGUNIT ! Logdevice\n\n INTEGER N_M3FILES ! No. of input Models-3 files\n\n INTEGER, PARAMETER :: MXM3FLS = MXFILE3 - 1 ! Max no. of input files - use IOAPI parameter \n ! MXFILE3 - 1 to also allow one output file\n\n CHARACTER*16 M3_FLNAME( MXM3FLS ) ! Names of Models-3 file\n\n CHARACTER*256 M3FILE ! first filename\n\n CONTAINS\n\n\n SUBROUTINE OPEN_M3FILES\nC*************************************************************************\nC\nC FUNCTION: To provide site data\nC \nC PRECONDITIONS: None\nC \nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Prototype created by Jerry Gipson, July, 1999\nC \nC*************************************************************************\n USE M3UTILIO\n \n IMPLICIT NONE \n\nC..INCLUDES: \nC INCLUDE SUBST_IOPARMS ! IOAPI parameters\nC INCLUDE SUBST_IOFDESC ! IOAPI file description\nC INCLUDE SUBST_IODECL ! IOAPI declarations\n \nC..ARGUMENTS: None\n\nC..PARAMETERS: None\n\nC..EXTERNAL FUNCTIONS: None\n\nC..SAVED LOCAL VARIABLES: None\n\nC..SCRATCH LOCAL VARIABLES:\n CHARACTER*16 ENV_DFLT ! Environment variable default value\n CHARACTER*16 FL_NAME ! Input Models-3 file name\n CHARACTER*16 PNAME ! Program Name\n CHARACTER*80 ENV_DESC ! Environment variable description\n CHARACTER*80 MSG ! Error message\n CHARACTER*256 RET_VAL ! Returned value of environment variable\n\n INTEGER N ! Loop index\n INTEGER STATUS ! Status code\n\nC**********************************************************************\n DATA PNAME / 'OPEN_M3FILES' /\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Determine the number of input CTM conc files that need to be read\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n LOGUNIT = INIT3()\n\n N_M3FILES = 0\n\n WRITE( LOGUNIT, 92020 )\n\n DO N = 1, MXM3FLS\n\n IF( N .LT. 10 ) THEN\n WRITE( FL_NAME, '( ''M3_FILE_'', I1 )' ) N\n WRITE( ENV_DESC, '( ''CTM Concentration file no. '', I1 )' ) N \n ELSEIF( N .LT. 100 ) THEN\n WRITE( FL_NAME, '( ''M3_FILE_'', I2 )' ) N\n WRITE( ENV_DESC, '( ''CTM Concentration file no. '', I2 )' ) N \n ELSE\n WRITE( FL_NAME, '( ''M3_FILE_'', I3 )' ) N\n WRITE( ENV_DESC, '( ''CTM Concentration file no. '', I3 )' ) N \n ENDIF\n\n ENV_DFLT = ' ' \n CALL ENVSTR( FL_NAME, ENV_DESC, ENV_DFLT, RET_VAL, STATUS)\n\n IF( STATUS .EQ. 0 ) THEN\n If( N_M3FILES .eq. 0) M3FILE = RET_VAL\n N_M3FILES = N_M3FILES + 1\n M3_FLNAME( N_M3FILES ) = FL_NAME\n Else\n Exit\n ENDIF\n \n ENDDO\n\n IF( N_M3FILES .EQ. 0 ) THEN\n MSG = 'No CTM CONC files found'\n CALL M3ERR( PNAME, 0, 0, MSG, .TRUE. )\n ENDIF\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Open the files ccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n DO N = 1, N_M3FILES\n IF( .NOT. OPEN3( M3_FLNAME( N ), FSREAD3, PNAME) )THEN\n CALL M3EXIT( PNAME, 0 , 0,\n & 'Could not open input file ' // M3_FLNAME( N ),\n & XSTAT1 )\n ENDIF\n ENDDO \n\n RETURN\n\nC****************** FORMAT STATEMENTS ******************************\n\n92020 FORMAT( //5X, A, // )\n\n END SUBROUTINE OPEN_M3FILES\n\n \n END MODULE M3FILES\n" }, { "path": "POST/sitecmp_dailyo3/src/module_grid.F", "content": "!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n MODULE GRID_DATA\n\nC*************************************************************************\nC\nC FUNCTION: To define a grid class\nC \nC PRECONDITIONS: None\nC \nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Prototype created by Jerry Gipson, July, 1999\nC \nC*************************************************************************\n\n TYPE GRID\n\n INTEGER :: NCOLS\n INTEGER :: NROWS\n INTEGER :: GDTYP\n\n REAL*8 :: P_ALP\n REAL*8 :: P_BET\n REAL*8 :: P_GAM\n REAL*8 :: XCENT\n REAL*8 :: YCENT\n REAL*8 :: XORIG\n REAL*8 :: YORIG\n REAL*8 :: XCELL\n REAL*8 :: YCELL\n\n END TYPE GRID\n\n TYPE ( GRID ) M3GRID\n\n CONTAINS\n\n SUBROUTINE GET_M3GRID\nC*************************************************************************\nC\nC FUNCTION: To set grid data\nC \nC PRECONDITIONS: None\nC \nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Prototype created by Jerry Gipson, July, 1999\nC JG corrected setting of M3GRID % NROWS 02/02/00\nC C*************************************************************************\n USE M3FILES\n USE M3UTILIO\n\n IMPLICIT NONE \n\nC..INCLUDES: \nC INCLUDE SUBST_IOPARMS ! IOAPI parameters\nC INCLUDE SUBST_IOFDESC ! IOAPI file description\nC INCLUDE SUBST_IODECL ! IOAPI declarations\n \nC..ARGUMENTS: None\n\nC..PARAMETERS: None\n\nC..EXTERNAL FUNCTIONS: None\n\nC..SAVED LOCAL VARIABLES: None\n\nC..SCRATCH LOCAL VARIABLES:\n CHARACTER*16 PNAME ! Program Name\n\n INTEGER N ! Loop index\n INTEGER STATUS ! Status code\n\nC**********************************************************************\n DATA PNAME / 'GET_GRID' /\n\n IF ( .NOT. DESC3( M3_FLNAME( 1 ) ) ) THEN\n CALL M3EXIT( PNAME, 0, 0,\n & 'Could not get ' // M3_FLNAME( 1 ) //\n & ' file description', XSTAT1 )\n ENDIF\n\n M3GRID % NCOLS = NCOLS3D\nc M3GRID % NROWS = NCOLS3D\n M3GRID % NROWS = NROWS3D\n M3GRID % GDTYP = GDTYP3D\n\n M3GRID % P_ALP = P_ALP3D\n M3GRID % P_BET = P_BET3D\n M3GRID % P_GAM = P_GAM3D\n M3GRID % XCENT = XCENT3D\n M3GRID % YCENT = YCENT3D\n M3GRID % XORIG = XORIG3D\n M3GRID % YORIG = YORIG3D\n M3GRID % XCELL = XCELL3D\n M3GRID % YCELL = YCELL3D\n\n RETURN\n\n END SUBROUTINE GET_M3GRID\n\n END MODULE GRID_DATA\n" }, { "path": "POST/sitecmp_dailyo3/src/module_sites.F", "content": "!------------------------------------------------------------------------!\r\n! The Community Multiscale Air Quality (CMAQ) system software is in !\r\n! continuous development by various groups and is based on information !\r\n! from these groups: Federal Government employees, contractors working !\r\n! within a United States Government contract, and non-Federal sources !\r\n! including research institutions. These groups give the Government !\r\n! permission to use, prepare derivative works of, and distribute copies !\r\n! of their work in the CMAQ system to the public and to permit others !\r\n! to do so. The United States Environmental Protection Agency !\r\n! therefore grants similar permission to use the CMAQ system software, !\r\n! but users are requested to provide copies of derivative works or !\r\n! products designed to operate in the CMAQ system to the United States !\r\n! Government without restrictions as to use by others. Software !\r\n! that is used with the CMAQ system but distributed under the GNU !\r\n! General Public License or the GNU Lesser General Public License is !\r\n! subject to their copyright restrictions. !\r\n!------------------------------------------------------------------------!\r\n\r\n MODULE SITE_DATA\r\n\r\n TYPE SITE\r\n character*20 :: site_id\r\n CHARACTER*25 :: STATE\r\n CHARACTER*25 :: COUNTY\r\n REAL :: LAT\r\n REAL :: LON\r\n REAL :: LAMBX\r\n REAL :: LAMBY\r\n REAL :: ELEV\r\n Integer :: TZ\r\n Integer :: row\r\n Integer :: column \r\n END TYPE SITE\r\n\r\nc TYPE ( SITE ), PRIVATE, ALLOCATABLE :: SITES(:)\r\n TYPE ( SITE ), ALLOCATABLE :: SITES(:)\r\n\r\n CONTAINS\r\n\r\n\r\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\r\nc Subroutine to get data from file type 1\r\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\r\n\r\n SUBROUTINE LOAD_SITES\r\n \r\n USE M3UTILIO\r\n\r\n IMPLICIT NONE \r\n\r\nC..INCLUDES: \r\nC INCLUDE SUBST_IOPARMS ! IOAPI parameters\r\nC INCLUDE SUBST_IOFDESC ! IOAPI file description\r\nC INCLUDE SUBST_IODECL ! IOAPI declarations\r\n\r\n \r\nC..ARGUMENTS: None\r\n\r\nC..PARAMETERS: None\r\n\r\nC..EXTERNAL FUNCTIONS:\r\nC INTEGER JUNIT ! Get a Fortran unit number\r\n INTEGER getNumberOfFields\r\n\r\nC..SAVED LOCAL VARIABLES: None\r\n\r\nC..SCRATCH LOCAL VARIABLES:\r\n CHARACTER*256 SITE_FNAME \r\n CHARACTER*300 RECORD ! input record buffer\r\n CHARACTER*80 FIELD ! input field\r\n CHARACTER*16 ENV_DFLT ! Environment variable default value\r\n CHARACTER*16 PNAME ! Program Name\r\n CHARACTER*16 SITEFILE ! Env var for site file name\r\n CHARACTER*80 ENV_DESC ! Environment variable description\r\n CHARACTER*80 MSG ! Error message\r\n CHARACTER*256 RET_VAL ! Returned value of environment variable\r\n\r\n INTEGER nsites ! number of sites\r\n INTEGER NFIELDS ! number of fields in record\r\n INTEGER lfn ! Unit no. of input site file\r\n INTEGER tzone ! time zone offset number read from field 4\r\n INTEGER N ! Loop index\r\n INTEGER STATUS ! Status code\r\n\r\n Integer :: siteField\r\n Integer :: latField\r\n Integer :: lonField\r\n Integer :: stateField\r\n Integer :: countyField\r\n Integer :: elevField\r\n Integer :: tzField\r\n\r\n LOGICAL IS_CSV \r\n\r\n! CHARACTER*16 site,lonfld,latfld,tzfld\r\n\r\nC**********************************************************************\r\n DATA PNAME / 'LOAD_SITES'/\r\n DATA SITEFILE / 'SITE_FILE' /\r\n\r\n ENV_DFLT = ' '\r\n ENV_DESC = 'Input site file' \r\n CALL ENVSTR( SITEFILE, ENV_DESC, ENV_DFLT, SITE_FNAME, STATUS)\r\n\r\n IF( STATUS .NE. 0 ) THEN\r\n MSG = 'No input site file assigned to SITEFILE'\r\n CALL M3ERR( PNAME, 0, 0, MSG, .TRUE. )\r\n ENDIF\r\n\r\n \r\n ! open file\r\n lfn = 10\r\n OPEN(unit=lfn, file=SITE_FNAME, status='old', iostat=status)\r\n if(status.ne.0) then\r\n MSG = 'Cannot open site file:' // trim(SITE_FNAME)\r\n CALL M3ERR( PNAME, 0, 0, MSG, .TRUE. )\r\n endif\r\n\r\n\r\n ! read the first line to determine whether this site file\r\n ! is using tab-delimited (no header line) or csv format\r\n \r\n READ( LFN, '(A)', iostat=status ) RECORD\r\n if(status.ne.0) then\r\n MSG = 'Cannot read first line of site file:' // trim(SITE_FNAME)\r\n CALL M3ERR( PNAME, 0, 0, MSG, .TRUE. )\r\n endif\r\n nfields = getNumberOfFields(record, \",\")\r\n if (nfields .le. 1) then\r\n IS_CSV = .FALSE. !assume tab delimited site file, no comma in first line\r\n else\r\n IS_CSV = .TRUE. !assume csv site file, commas in first line.\r\n !find columns for stat_id, lat, lon, \r\n !timezone, elevation, state, county\r\n \r\n endif\r\n REWIND( LFN )\r\n\r\n\r\n ! read file to determine number of sites\r\n\r\n IF (.NOT.IS_CSV) THEN \r\n write(*,'(''ASSUMING TAB-DELIMITED SITE FILE: '',a)') trim(SITE_FNAME)\r\n\r\n NSITES = 0\r\n DO\r\n read(lfn, '(a)', iostat=status ) RECORD\r\n if(status.ne.0) EXIT\r\n Call getField(record, char(9), 1, field)\r\n nfields = getNumberOfFields(record, char(9))\r\n IF(nfields.ge.3 .and. LEN_TRIM(field).ge.4) NSITES = NSITES + 1\r\n ENDDO\r\n \r\n if( NSITES.eq.0 ) then\r\n write(*,'(''**ERROR**, No sites found in site file:'',a)') trim(SITE_FNAME)\r\n Stop\r\n endif\r\n \r\n \r\n ALLOCATE( SITES( nsites ) )\r\n\r\n SITES%ELEV = -999. !default elevation is missing\r\n SITES%STATE = \"NotAvailable\" !default state name\r\n SITES%COUNTY = \"NotAvailable\" !default state name\r\n\r\n REWIND( lfn )\r\n\r\n ! read in site data\r\n N = 0\r\n DO \r\n READ( LFN, '(A)', iostat=status ) RECORD\r\n if( status.ne.0 ) EXIT\r\n \r\n nfields = getNumberOfFields(record, char(9))\r\n Call getField(record, char(9), 1, field)\r\n IF(nfields.ge.3 ) THEN \r\n N = N + 1 \r\n SITES(N)%site_id = field \r\n \r\n Call getField(record, char(9), 2, field) \r\n READ(field, '(BN,f15.0)', iostat=status) SITES(N)%LON\r\n if( status.ne.0 ) then \r\n write(*,'(''**ERROR** Cannot read longitude from record:'',a)') trim(record) \r\n stop \r\n endif \r\n \r\n Call getField(record, char(9), 3, field) \r\n READ(field, '(BN,f15.0)', iostat=status) SITES(N)%LAT\r\n if( status.ne.0 ) then \r\n write(*,'(''**ERROR** Cannot read latitude from record:'',a)') trim(record)\r\n stop \r\n endif \r\n \r\n ! compute Time zone offset from longitude \r\n SITES(N)%TZ = -(SITES(N)%LON) / 15 \r\n \r\n ! try to read Time zone offset from field 4 \r\n if(nfields.eq.4) then \r\n Call getField(record, char(9), 4, field) \r\n READ(field, '(BN,i10)', iostat=status) tzone \r\n if(status.eq.0 .and. tzone.gt.0) SITES(N)%TZ = tzone \r\n endif \r\n \r\n ENDIF\r\n ENDDO\r\n \r\n close(lfn)\r\n \r\n ELSE !csv-formatted site file\r\n \r\n write(*,'(''ASSUMING CSV SITE FILE: '',a)') trim(SITE_FNAME)\r\n \r\n nsites = 0\r\n \r\n ! read header line first to find the position of the \r\n ! lat, lon, time zone, state,county, and elevation fields\r\n \r\n\r\n siteField = 0\r\n stateField = 0\r\n countyField = 0\r\n latField = 0\r\n lonField = 0\r\n elevField = 0\r\n tzField = 0\r\n\r\n read(lfn,'(a)',iostat=status) record\r\n if( status.ne.0 ) then\r\n write(*,'(''**ERROR** Invalid table header in table file'')')\r\n Stop\r\n endif\r\n\r\n call UCASE( record )\r\n call rmCommas(record)\r\n nfields = getNumberOfFields(record, ',')\r\n \r\n Do n=1,nfields\r\n call getField(record, ',', n, field)\r\n call rmQuots( field )\r\n call LeftTrim(field)\r\n if( INDEX(field,'STAT_ID').gt.0 ) then\r\n siteField = n\r\n exit\r\n endif\r\n EndDo\r\n\r\n Do n=1,nfields\r\n call getField(record, ',', n, field)\r\n call rmQuots( field )\r\n call LeftTrim(field)\r\n if( INDEX(field,'LAT').gt.0 ) then\r\n latField = n\r\n exit\r\n endif\r\n EndDo\r\n\r\n Do n=1,nfields\r\n call getField(record, ',', n, field)\r\n call rmQuots( field )\r\n call LeftTrim(field)\r\n if( INDEX(field,'LON').gt.0 ) then\r\n lonField = n\r\n exit\r\n endif\r\n EndDo\r\n\r\n\r\n Do n=1,nfields\r\n call getField(record, ',', n, field)\r\n call rmQuots( field )\r\n call LeftTrim(field)\r\n if( INDEX(field,'ELEVATION').gt.0 ) then\r\n elevField = n\r\n exit\r\n endif\r\n EndDo\r\n\r\n\r\n Do n=1,nfields\r\n call getField(record, ',', n, field)\r\n call rmQuots( field )\r\n call LeftTrim(field)\r\n if( INDEX(field,'STATE').gt.0 ) then\r\n stateField = n\r\n exit\r\n endif\r\n EndDo\r\n\r\n\r\n Do n=1,nfields\r\n call getField(record, ',', n, field)\r\n call rmQuots( field )\r\n call LeftTrim(field)\r\n if( INDEX(field,'COUNTY').gt.0 ) then\r\n countyField = n\r\n exit\r\n endif\r\n EndDo\r\n\r\n\r\n Do n=1,nfields\r\n call getField(record, ',', n, field)\r\n call rmQuots( field )\r\n call LeftTrim(field)\r\n if( INDEX(field,'GMT_OFFSET').gt.0 ) then\r\n tzField = n\r\n exit\r\n endif\r\n EndDo\r\n\r\n if( ( siteField .eq. 0 ) .or. ( latField .eq. 0 ) .or. \r\n * ( lonField .eq. 0 ) ) then\r\n write(*,'(''**ERROR**, stat_id, lat, and/or lon column ''//''\r\n * missing in:'',a)') trim(SITE_FNAME)\r\n Stop\r\n endif\r\n \r\n ! done reading and processing header line, now read station data\r\n \r\n DO\r\n READ( LFN, '(A)', iostat=status ) RECORD\r\n if(status.ne.0) EXIT\r\n Call getField(record, ',' , siteField, field)\r\n nfields = getNumberOfFields(record, ',' )\r\n IF(nfields.ge.3 .and. LEN_TRIM(field).ge.3) nsites = nsites + 1\r\n ENDDO\r\n \r\n if( nsites.eq.0 ) then\r\n write(*,'(''**ERROR**, No sites found in site file:'',a)') trim(SITE_FNAME)\r\n Stop\r\n endif\r\n\r\n ALLOCATE( SITES( nsites ) )\r\n \r\n SITES%ELEV = -999. !default elevation is missing\r\n SITES%STATE = \"NotAvailable\" !default state name\r\n SITES%COUNTY = \"NotAvailable\" !default state name\r\n\r\n REWIND( LFN )\r\n \r\n ! read header line\r\n read(lfn,'(a)',iostat=status) record\r\n if( status.ne.0 ) then\r\n write(*,'(''**ERROR** Invalid table header in table file'')')\r\n Stop\r\n endif\r\n\r\n ! read all site data from LFN\r\n N = 0\r\n DO\r\n READ( LFN, '(A)', iostat=status ) RECORD\r\n if( status.ne.0 ) EXIT\r\n \r\n Call getField(record, ',', siteField, field)\r\n call rmQuots( field )\r\n \r\n IF(LEN_TRIM(field).ge.3) THEN\r\n N = N + 1\r\n SITES( N )%site_id = field\r\n\r\n Call getField(record, ',', lonField, field)\r\n call rmQuots( field )\r\n read(field,'(f16.0)',iostat=status) SITES( N )%LON\r\n if( status.ne.0 ) then\r\n write(*,'(''**WARNING** Invalid site record for lon:'',a)') TRIM(record)\r\n write(*,'(''**WARNING** field = '',a)') TRIM(field)\r\n CYCLE\r\n endif\r\n\r\n Call getField(record, ',', latField, field)\r\n call rmQuots( field )\r\n read(field,'(f16.0)',iostat=status) SITES( N )%LAT\r\n if( status.ne.0 ) then\r\n write(*,'(''**WARNING** Invalid site record for lat:'',a)') TRIM(record)\r\n write(*,'(''**WARNING** field = '',a)') TRIM(field)\r\n CYCLE\r\n endif\r\n\r\n if (stateField .gt. 0) then\r\n Call getField(record, ',', stateField, field)\r\n call rmQuots( field )\r\n SITES( N )%STATE = field\r\n endif\r\n \r\n if (countyField .gt. 0) then\r\n Call getField(record, ',', countyField, field)\r\n call rmQuots( field )\r\n SITES( N )%COUNTY = field\r\n endif\r\n \r\n\r\n if (elevField .gt. 0) then\r\n Call getField(record, ',', elevField, field)\r\n call rmQuots( field )\r\n read(field,'(f16.0)',iostat=status) SITES( N )%ELEV\r\n if( status.ne.0 ) then\r\n write(*,'(''**WARNING** Invalid site record for elev:'',a)') TRIM(record)\r\n write(*,'(''**WARNING** field = '',a)') TRIM(field)\r\n CYCLE\r\n endif\r\n endif\r\n\r\n ! compute Time zone offset from longitude\r\n SITES( N )%TZ = -( SITES( N )%LON + 7.5 ) / 15\r\n\r\n ! try to read Time zone offset from field 4\r\n if (tzField .gt. 0) then\r\n Call getField(record, ',', tzField, field)\r\n call rmQuots( field )\r\n READ(field, '(BN,i10)', iostat=status) tzone\r\n if(status.eq.0 .and. field.ne.' ') SITES( N )%TZ = tzone\r\n endif\r\n\r\n endif\r\n enddo\r\n\r\n close(unit=LFN)\r\n \r\n ENDIF !tab-delimited or csv site file\r\n \r\n \r\n RETURN\r\n\r\n END SUBROUTINE LOAD_SITES\r\n\r\n\r\n\r\nC*************************************************************************\r\n SUBROUTINE SET_SITE_LOC\r\nC*************************************************************************\r\n USE ENV_VARS\r\n USE M3FILES\r\n USE GRID_DATA\r\n USE M3UTILIO\r\n IMPLICIT NONE \r\n\r\nC..INCLUDE FILES:\r\nC INCLUDE SUBST_IOPARMS ! IOAPI parameters\r\nC INCLUDE SUBST_IOFDESC ! IOAPI file description\r\nC INCLUDE SUBST_IODECL ! IOAPI declarations\r\n\r\nC..ARGUMENTS: None\r\n\r\nC..PARAMETERS: None\r\n\r\nC..SAVED LOCAL VARIABLES: None\r\n\r\nC..SCRATCH LOCAL VARIABLES:\r\n CHARACTER*24 CRDATE ! Create date\r\n CHARACTER*80 MSG ! Log message\r\n CHARACTER*16 PNAME ! Program Name\r\n CHARACTER*256 RET_VAL ! Returned value of environment variable\r\n\r\n INTEGER C, R, N ! Loop indices\r\n INTEGER IOUT ! Output file unit number\r\n INTEGER JDATE ! Create date YYYYDDD\r\n INTEGER JTIME ! Create timeHHMMSS\r\n\r\n REAL LATIN ! Input lat\r\n REAL LONIN ! Input lon\r\n REAL X ! x-coordinate for lambert projection\r\n REAL Y ! y-coordinate for lambert projection\r\n REAL XW, XE ! X-coordinates of grid cell edges \r\n REAL YS, YN ! Y-coordinates of grid cell edges \r\n\r\n \r\nC**********************************************************************\r\n DATA PNAME / 'SET_SITE_LOC' /\r\n\r\n DO N = 1, size(SITES)\r\n\r\nc..for now make sure longitude is negative\r\nc LONIN = MIN( SITES(N)%LON, -1.0 * SITES(N)%LON )\r\n LONIN = SITES(N)%LON\r\n LATIN = SITES(N)%LAT\r\n \r\n IF ( M3GRID % GDTYP . eq . 2 ) THEN ! Lambert\r\n\r\n\r\n \r\n IF( .NOT. SETLAM( SNGL( M3GRID % P_ALP ), ! first, initialize\r\n & SNGL( M3GRID % P_BET ), ! for LL2LAM()\r\n & SNGL( M3GRID % P_GAM ),\r\n & SNGL( M3GRID % XCENT ), \r\n & SNGL( M3GRID % YCENT ) ) ) THEN\r\n MSG = 'Lambert projection setup error'\r\n CALL M3EXIT( PNAME, 0, 0, MSG, 2 )\r\n ENDIF\r\n \r\nc..get the x,y coordinates using lat/lon to lambert conversion\r\n IF( .NOT. LL2LAM( LONIN, LATIN, X, Y ) ) THEN\r\n MSG = 'Lat/Lon to Lambert to conversion error'\r\n CALL M3EXIT( PNAME, 0, 0, MSG, 2 )\r\n ENDIF \r\n\r\n SITES(N)%LAMBX = X\r\n SITES(N)%LAMBY = Y\r\n\r\nc..find the column location \r\n SITES(N)%column = 0\r\n DO C = 1, NCOLS3D\r\n XW = M3GRID % XORIG + FLOAT( C - 1 ) * M3GRID % XCELL \r\n XE = XW + M3GRID % XCELL\r\n IF( X .GE. XW .AND. X .LT. XE ) SITES(N)%column = C\r\n ENDDO\r\n\r\nc..find the row location \r\n SITES(N)%row = 0\r\n DO R = 1, NROWS3D\r\n YS = M3GRID % YORIG + FLOAT( R - 1 ) * M3GRID % YCELL \r\n YN = YS + M3GRID % YCELL\r\n IF( Y .GE. YS .AND. Y .LT. YN ) SITES(N)%row = R\r\n ENDDO\r\n \r\n ELSEIF ( M3GRID % GDTYP . eq . 6 ) THEN ! Polar Stereographic\r\n\r\n\r\n \r\n IF( .NOT. SETPOL( SNGL( M3GRID % P_ALP ), ! first, initialize\r\n & SNGL( M3GRID % P_BET ), ! for LL2POL()\r\n & SNGL( M3GRID % P_GAM ),\r\n & SNGL( M3GRID % XCENT ), \r\n & SNGL( M3GRID % YCENT ) ) ) THEN\r\n MSG = 'Polar stereographic projection setup error'\r\n CALL M3EXIT( PNAME, 0, 0, MSG, 2 )\r\n ENDIF\r\n \r\nc..get the x,y coordinates using lat/lon to lambert conversion\r\n IF( .NOT. LL2POL( LONIN, LATIN, X, Y ) ) THEN\r\n MSG = 'Lat/Lon to polar stereographic to conversion error'\r\n CALL M3EXIT( PNAME, 0, 0, MSG, 2 )\r\n ENDIF \r\n\r\n SITES(N)%LAMBX = X\r\n SITES(N)%LAMBY = Y\r\n\r\nc..find the column location \r\n SITES(N)%column = 0\r\n DO C = 1, NCOLS3D\r\n XW = M3GRID % XORIG + FLOAT( C - 1 ) * M3GRID % XCELL \r\n XE = XW + M3GRID % XCELL\r\n IF( X .GE. XW .AND. X .LT. XE ) SITES(N)%column = C\r\n ENDDO\r\n\r\nc..find the row location \r\n SITES(N)%row = 0\r\n DO R = 1, NROWS3D\r\n YS = M3GRID % YORIG + FLOAT( R - 1 ) * M3GRID % YCELL \r\n YN = YS + M3GRID % YCELL\r\n IF( Y .GE. YS .AND. Y .LT. YN ) SITES(N)%row = R\r\n ENDDO\r\n \r\n ELSEIF ( M3GRID % GDTYP . eq . 7 ) THEN ! Equatorial mercator\r\n\r\n\r\n \r\n IF( .NOT. SETEQM( SNGL( M3GRID % P_ALP ), ! first, initialize\r\n & SNGL( M3GRID % P_BET ), ! for LL2EQM()\r\n & SNGL( M3GRID % P_GAM ),\r\n & SNGL( M3GRID % XCENT ), \r\n & SNGL( M3GRID % YCENT ) ) ) THEN\r\n MSG = 'Equatorial mercator projection setup error'\r\n CALL M3EXIT( PNAME, 0, 0, MSG, 2 )\r\n ENDIF\r\n \r\nc..get the x,y coordinates using lat/lon to equatorial mercator conversion\r\n IF( .NOT. LL2EQM( LONIN, LATIN, X, Y ) ) THEN\r\n MSG = 'Lat/Lon to equatorial mercator to conversion error'\r\n CALL M3EXIT( PNAME, 0, 0, MSG, 2 )\r\n ENDIF \r\n\r\n SITES(N)%LAMBX = X\r\n SITES(N)%LAMBY = Y\r\n\r\nc..find the column location \r\n SITES(N)%column = 0\r\n DO C = 1, NCOLS3D\r\n XW = M3GRID % XORIG + FLOAT( C - 1 ) * M3GRID % XCELL \r\n XE = XW + M3GRID % XCELL\r\n IF( X .GE. XW .AND. X .LT. XE ) SITES(N)%column = C\r\n ENDDO\r\n\r\nc..find the row location \r\n SITES(N)%row = 0\r\n DO R = 1, NROWS3D\r\n YS = M3GRID % YORIG + FLOAT( R - 1 ) * M3GRID % YCELL \r\n YN = YS + M3GRID % YCELL\r\n IF( Y .GE. YS .AND. Y .LT. YN ) SITES(N)%row = R\r\n ENDDO\r\n \r\n ELSEIF ( M3GRID % GDTYP . eq . 1 ) THEN ! LAT/LON GRID\r\n \r\n X = LONIN\r\n Y = LATIN\r\n \r\n SITES(N)%LAMBX = X\r\n SITES(N)%LAMBY = Y\r\n\r\nc..find the column location \r\n SITES(N)%column = 0\r\n DO C = 1, NCOLS3D\r\n XW = M3GRID % XORIG + FLOAT( C - 1 ) * M3GRID % XCELL \r\n XE = XW + M3GRID % XCELL\r\n IF( X .GE. XW .AND. X .LT. XE ) SITES(N)%column = C\r\n ENDDO\r\n\r\nc..find the row location \r\n SITES(N)%row = 0\r\n DO R = 1, NROWS3D\r\n YS = M3GRID % YORIG + FLOAT( R - 1 ) * M3GRID % YCELL \r\n YN = YS + M3GRID % YCELL\r\n IF( Y .GE. YS .AND. Y .LT. YN ) SITES(N)%row = R\r\n ENDDO\r\n \r\n ELSE\r\n\r\n MSG = 'Unknown grid type'\r\n CALL M3EXIT( PNAME, 0, 0, MSG, 2 )\r\n \r\n ENDIF\r\n\r\n ENDDO\r\n\r\n RETURN\r\n\r\n92000 FORMAT( '! INPUT M3 FILE ', I2, ': ', A )\r\n92020 FORMAT( '! INPUT SITE FILE: ', A )\r\n92040 FORMAT( '! SITEID STATE REGION LON LAT COL ROW X Y ' )\r\n92060 FORMAT( A9, 1X, A2, 1X, A2, F8.3, 1X, F8.3, 1X, I3, 1X, I3, 2F15.2 )\r\n\r\n END SUBROUTINE SET_SITE_LOC\r\n\r\nC function to find the index number of a site\r\n Integer Function getSiteNumber( site ) result (siteNo)\r\n\r\n CHARACTER*(*) :: site\r\n\r\n Integer :: i\r\n\r\n siteNo = -1\r\n \r\n do i=1,size(SITES)\r\n if( TRIM(site) .eq. TRIM(SITES(I)%site_id) ) Then\r\n siteNo = i\r\n return\r\n endif\r\n Enddo \r\n \r\n Write(*,'('' cannot find match for site '',a)') site\r\n Return\r\n End Function getSiteNumber\r\n\r\n\r\nC function to return the site id from it's index number\r\n Character*(20) Function getSiteId( siteNo ) result (siteId)\r\n\r\n Integer siteNo\r\n\r\n siteId = '-999'\r\n\r\n if(siteNo.gt.0 .and. siteNo .le. size(SITES)) Then\r\n siteId = TRIM(SITES(siteNo)%site_id) \r\n endif\r\n\r\n Return\r\n End Function getSiteId\r\n\r\n\r\n\r\nC function to return latitude value for site n\r\n Real Function getLatitude( id ) result (latitude)\r\n\r\n Integer id\r\n\r\n if(id .le. size(SITES)) Then\r\n latitude = SITES(id)%LAT\r\n else\r\n latitude = -99\r\n endif\r\n\r\n Return\r\n End Function getLatitude\r\n \r\n\r\nC function to return longitude value for site n\r\n Real Function getLongitude( id ) result (longitude)\r\n\r\n Integer id\r\n \r\n if(id .le. size(SITES)) Then\r\n longitude = SITES(id)%LON\r\n else\r\n longitude = -99\r\n endif\r\n\r\n Return\r\n End Function getLongitude\r\n\r\nC function to return Lambert X value for site n\r\n Real Function getLambertX( id ) result (X)\r\n\r\n Integer id\r\n\r\n if(id .le. size(SITES)) Then\r\n X = SITES(id)%LAMBX\r\n else\r\n X = -99\r\n endif\r\n\r\n Return\r\n End Function getLambertX \r\n\r\nC function to return Lambert Y value for site n\r\n Real Function getLambertY( id ) result (Y)\r\n\r\n Integer id\r\n\r\n if(id .le. size(SITES)) Then\r\n Y = SITES(id)%LAMBY\r\n else\r\n Y = -99\r\n endif\r\n\r\n Return\r\n End Function getLambertY \r\n\r\n\r\n\r\n\r\nC function to return time zone value for site n\r\n Integer Function getTimeZone( id ) result (tz)\r\n\r\n Integer id\r\n \r\n if(id .le. size(SITES)) Then\r\n tz = SITES(id)%TZ\r\n else\r\n tz = 0\r\n endif\r\n\r\n Return\r\n End Function getTimeZone\r\n\r\n\r\nC function to return the grid column for site n\r\n Integer Function getColumn( id ) result (column)\r\n\r\n Integer id\r\n \r\n if(id.gt.0 .and. id.le.size(SITES)) Then\r\n column = SITES(id)%column\r\n else\r\n column = 0\r\n endif\r\n\r\n Return\r\n End Function getColumn\r\n\r\nC function to return the grid row for site n\r\n Integer Function getRow( id ) result (row)\r\n\r\n Integer id\r\n \r\n if(id.gt.0 .and. id.le.size(SITES)) Then\r\n row = SITES(id)%row\r\n else\r\n row = 0\r\n endif\r\n\r\n Return\r\n End Function getRow\r\n\r\nC function to return the number of sites \r\n Integer Function getNumSites() result (nsites)\r\n\r\n nsites = 0\r\n if( Allocated(SITES) ) nsites = size(SITES)\r\n\r\n Return\r\n End Function getNumSites\r\n\r\n END MODULE SITE_DATA\r\n" }, { "path": "POST/sitecmp_dailyo3/src/module_spec.F", "content": "!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n MODULE SPECIES_DEF\n\nC*************************************************************************\nC\nC FUNCTION: To define a ozone species variable\nC \nC PRECONDITIONS: Species read from environment variables OZONE\nC \nC KEY SUBROUTINES/FUNCTIONS CALLED: GET_SPECS\nC\nC \nC*************************************************************************\n\n TYPE SPEC_VAR\n\n CHARACTER(len=16) OBS_NAME\n CHARACTER(len=16) OBS_UNITS\n REAL OBS_FACTOR\n\n INTEGER NUMSPEC\n CHARACTER(len=80) MOD_EXPRESSION\n CHARACTER(len=16) MOD_UNITS\n CHARACTER(len=16) MOD_NAME(10)\n REAL MOD_FACTOR(10)\n\n END TYPE SPEC_VAR\n\n TYPE ( SPEC_VAR ) SPECIES\n\n CONTAINS\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC ROUTINE TO GET SPECIES DEFINITIONS FROM ENVIRONMENT VARIABLES\nC\nC VARIABLES NAMES OZONE\nC\nCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC\n SUBROUTINE GET_SPECS\n\n IMPLICIT NONE \n \n !Extrenal functions\n INTEGER getParsedNumber\n REAL ENVREAL\n\n ! local variables\n INTEGER N\n INTEGER STATUS \n CHARACTER(LEN=256) RECORD\n CHARACTER(LEN=256) FIELD \n\n \n SPECIES%OBS_NAME = 'OZONE' \n SPECIES%OBS_UNITS = ' '\n\n ! GET FACTOR FOR OBSERVED VALUES\n SPECIES%OBS_FACTOR = ENVREAL('OBS_FACTOR','Multiplier factor for observed ozone',\n & 1.0, STATUS)\n\n ! GET DEFINITION RECORD for OZONE\n CALL ENVSTR( 'OZONE', 'OZONE Variable definition', '', RECORD, STATUS)\n IF( STATUS .NE. 0 ) then\n SPECIES%NUMSPEC = 1\n SPECIES%MOD_NAME(1) = 'O3'\n SPECIES%MOD_FACTOR(1) = 1.00\n SPECIES%MOD_EXPRESSION = 'O3'\n Return\n Endif\n\n !PARSE RECORD \n if( getParsedNumber(record, ',') .eq. 0 ) Then\n CALL M3ERR( 'GET_SPECS', 0, 0,'Syntax error on variable definition [OZONE]', .TRUE. )\n Endif\n\n ! parse field 1 of record to model species\n Call getParsedField( record, ',', 1, field, .false. ) \n SPECIES%MOD_EXPRESSION = field\n Call parseModelSpecies(field, status)\n if( status .ne. 0 ) Then\n CALL M3ERR( 'GET_SPECS', 0, 0,'Syntax error on variable definition [OZONE]', .TRUE. )\n Endif \n \n ! parse field 4 of record to get model_units\n Call getParsedField( record, ',', 2, field, .false. ) \n if( LEN_TRIM(field) .gt. 0 ) then\n SPECIES%MOD_UNITS = field\n Else\n SPECIES%MOD_UNITS = ' '\n Endif\n\n END SUBROUTINE GET_SPECS\n\nC*************************************************************************\nC routine to parse model species from character record\nC*************************************************************************\n SUBROUTINE parseModelSpecies(record, status)\n\n IMPLICIT NONE \n \n !Extrenal functions\n INTEGER getParsedNumber\n\n !arguments\n CHARACTER(LEN=256) RECORD\n INTEGER STATUS \n\n ! local variables\n INTEGER N \n CHARACTER(LEN=16) VARNAME \n CHARACTER(LEN=256) FIELD \n CHARACTER(LEN=20) factorFld\n CHARACTER(LEN=20) speciesFld \n\n ! set status flag to zero\n status = 0\n\n ! if record is blank, set NUMSPEC to zero and return\n if( record.eq.' ' ) Then\n SPECIES%NUMSPEC = 0\n return\n Endif\n\n ! find number of model species for variable NSPECVAR\n SPECIES%NUMSPEC = getParsedNumber(record, '+-')\n\n ! if no model species defined, return with error status\n if( SPECIES%NUMSPEC .eq. 0 ) goto 50\n \n Do N=1,SPECIES%NUMSPEC\n Call getParsedField( record, '+-', N, field, .true. ) \n\n ! determine if spec field has a factor\n if( getParsedNumber(field, '*') .gt. 1 ) then\n Call getParsedField( field, '*', 1, factorFld, .true. ) \n Call getParsedField( field, '*', 2, speciesFld, .false. ) \n Else\n ! check first character for sign \n if( Index('+-',field(1:1)) .gt.0 ) then\n factorFld = field(1:1) // '1.0'\n speciesFld = field(2:)\n Else\n factorFld = '1.0'\n speciesFld = field\n Endif\n Endif\n\n ! speciesFld and factorFld should be defined at this point\n\n Call leftTrim(speciesFld)\n SPECIES%MOD_NAME(N) = TRIM(speciesFld)\n Read(factorFld,'(BN,f16.0)', err=50) SPECIES%MOD_FACTOR(N) \n\n EndDo\n\n Return\n\n 50 status = 1\n return\n\n END SUBROUTINE parseModelSpecies\n\n END MODULE SPECIES_DEF\n" }, { "path": "POST/sitecmp_dailyo3/src/module_tstep.F", "content": "!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n MODULE TIME_STEP\n\nC*************************************************************************\nC\nC FUNCTION: To define a time class\nC \nC PRECONDITIONS: None\nC \nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Prototype created by Jerry Gipson, July, 1999\nC \nC*************************************************************************\n\n INTEGER :: NSTEPS\n\n INTEGER , ALLOCATABLE :: STEP_DATE( : )\n INTEGER , ALLOCATABLE :: STEP_TIME( : )\n INTEGER , ALLOCATABLE :: STEP_FILE( : )\n\n INTEGER :: TIMESTEP\n\n CONTAINS\n\n SUBROUTINE GET_TSTEPS\nC*************************************************************************\nC\nC FUNCTION: Set-up time step sequence for reading files and writing\nC output records\nC \nC PRECONDITIONS: None\nC \nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Prototype created by Jerry Gipson, July, 1999\nC C*************************************************************************\n USE M3FILES\n USE M3UTILIO\n\n IMPLICIT NONE \n\nC..INCLUDE FILES:\nC INCLUDE SUBST_IOPARMS ! IOAPI parameters\nC INCLUDE SUBST_IOFDESC ! IOAPI file description\nC INCLUDE SUBST_IODECL ! IOAPI declarations\n\nC..ARGUMENTS: None\n\nC..PARAMETERS: None\n\nC..EXTERNAL FUNCTIONS:\nC INTEGER SECSDIFF ! Gets difference between two times in seconds\n\nC..SAVED LOCAL VARIABLES: None\n\nC..SCRATCH LOCAL VARIABLES:\n CHARACTER*80 MSG ! Log message\n CHARACTER*16 PNAME ! Program Name\n\n INTEGER D0, D1 ! Differences betwwen two times, seconds\n INTEGER INDX ! Array location to insert new index\n INTEGER MXSTEPS ! max possible no. of time steps\n INTEGER N, NFL, NS, N2 ! Loop indices\n INTEGER JDATE ! Current date\n INTEGER JTIME ! Current time\n\n \nC**********************************************************************\n DATA PNAME / 'GET_TSTEPS' /\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get the maximum number of time steps\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n MXSTEPS = 0\n DO N = 1, N_M3FILES\n\n IF( .NOT. DESC3( M3_FLNAME( N ) ) ) THEN\n CALL M3EXIT( PNAME, 0, 0, 'Could not get ' //\n & M3_FLNAME( N ) // ' file description',\n & XSTAT1 )\n ENDIF\n\n MXSTEPS = MXSTEPS + MXREC3D\n ENDDO\n\n ALLOCATE( STEP_DATE( MXSTEPS ), STEP_TIME( MXSTEPS ), \n & STEP_FILE( MXSTEPS ) )\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Load all steps from first file\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF( .NOT. DESC3( M3_FLNAME( 1 ) ) ) THEN\n CALL M3EXIT( PNAME, 0, 0, 'Could not get ' // \n & M3_FLNAME( 1 ) // ' file description',\n & XSTAT1 )\n ENDIF\n\n JDATE = SDATE3D\n JTIME = STIME3D\n TIMESTEP = TSTEP3D\n\n NSTEPS = MXREC3D\n\n DO NS = 1, NSTEPS\n STEP_DATE( NS ) = JDATE\n STEP_TIME( NS ) = JTIME\n STEP_FILE( NS ) = 1\n CALL NEXTIME( JDATE, JTIME, TSTEP3D )\n ENDDO\n\n IF( N_M3FILES .EQ. 1 ) RETURN\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Insert non-duplicative time steps from remaining files in the array\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n MSG = 'Multiple CTM Concentration files being used' \n CALL M3MESG( MSG )\n MSG = 'Duplicate time steps will be eliminated' \n CALL M3MESG( MSG )\n\n DO NFL = 2, N_M3FILES\n\n IF ( .NOT. DESC3( M3_FLNAME( NFL ) ) ) THEN\n CALL M3EXIT( PNAME, 0, 0,\n & 'Could not get ' // M3_FLNAME( NFL ) //\n & ' file description', XSTAT1 )\n ENDIF\n\n JDATE = SDATE3D\n JTIME = STIME3D\n\n DO NS = 1, MXREC3D\n\n DO N = 1, NSTEPS\n\n INDX = 0\n D1 = SECSDIFF( STEP_DATE( N ), STEP_TIME( N ),\n & JDATE, JTIME )\n\n IF( N .EQ. 1 .AND. D1 .LT. 0 ) THEN\n INDX = 1\n ELSEIF( N .EQ. NSTEPS .AND. D1 .GT. 0 ) THEN\n INDX = NSTEPS + 1\n ELSEIF( N .GT. 1 ) THEN\n D0 = SECSDIFF( STEP_DATE( N - 1 ), STEP_TIME( N - 1 ),\n & JDATE, JTIME )\n IF( D0 .GT. 0 .AND. D1 .LT. 0 ) INDX = N\n ENDIF\n \n IF( INDX .GT. 0 ) THEN\n DO N2 = NSTEPS, INDX, -1\n STEP_DATE( N2 + 1 ) = STEP_DATE( N2 )\n STEP_TIME( N2 + 1 ) = STEP_TIME( N2 )\n ENDDO\n \n STEP_DATE( INDX ) = JDATE\n STEP_TIME( INDX ) = JTIME\n STEP_FILE( INDX ) = NFL\n NSTEPS = NSTEPS + 1\n ENDIF\n\n ENDDO\n\n IF( INDX .EQ. 0 ) WRITE( LOGUNIT, 93000) JDATE, JTIME,\n & M3_FLNAME( NFL )\n CALL NEXTIME( JDATE, JTIME, TSTEP3D )\n\n ENDDO\n\n ENDDO\n\n RETURN\n\n\n93000 FORMAT( 10X, 'Duplicate time step ignored: ', I7, 1X, I6, 1X, A )\n\n END SUBROUTINE GET_TSTEPS\n\n END MODULE TIME_STEP\n\n\n\n\n\n\n\n\n" }, { "path": "POST/sitecmp_dailyo3/src/parser.F", "content": "!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC***********************************************************************\nC routines for parsing a delimited text record\nC***********************************************************************\n\nC Return the number of fields in record\n INTEGER FUNCTION getNumberOfFields( record, delimiter ) result( nfields )\n\n CHARACTER*(*) record\n CHARACTER*(1) delimiter\n Integer getFieldCount\n\n Integer i\n\n ! if delimiter is space, use getFieldCount function\n if( delimiter.eq.' ') then\n nfields = getFieldCount(record, delimiter)\n return\n endif\n\n nfields = 1\n Do i=1, LEN(record)\n if( record(i:i) .eq. delimiter ) nfields = nfields+1\n EndDo\n\n Return\n End\n\nC Return the number of parsed fields in record\nC this method considers duplicate delimiters as one\n INTEGER FUNCTION getFieldCount(record, delimiter)\n & result(nfields)\n\n CHARACTER*(*) record\n CHARACTER*(*) delimiter\n\n Integer i\n Logical infield\n Logical isDel\n\n nfields = 0\n infield = .false.\n Do i=1,LEN(record)\n isDel = (record(i:i).eq.delimiter)\n\n ! check for start of field\n if( .NOT.infield .and. .NOT.isDel ) then\n nfields = nfields+1\n infield = .true.\n cycle\n endif\n\n ! check for end of field\n if( infield .and. isDel ) then\n infield = .false.\n cycle\n endif\n enddo \n \n Return\n end\n\n\nC Return the nth field of record\n Subroutine getField( record, delimiter, nth, field )\n\n CHARACTER*(*) record\n CHARACTER*(1) delimiter\n Integer nth\n CHARACTER*(*) field\n\n Integer nfields\n Integer i, pos1\n\n ! if delimiter is space, use method 2\n if( delimiter.eq.' ' ) then\n call getField2( record, delimiter, nth, field )\n call RightTrim(field)\n return\n endif\n \n pos1 = 1\n nfields = 0\n field = ''\n Do i=1, LEN(record)\n if( record(i:i) .eq. delimiter ) then\n nfields = nfields+1 \n if( nfields .eq. nth ) then\n if(pos1.lt.i) field = record(pos1:i-1)\n call RightTrim(field)\n return\n Endif\n pos1 = i+1\n Endif\n Enddo\n\n nfields = nfields+1 \n\n ! check if last field\n if( nfields .eq. nth ) then\n field = record(pos1:)\n Endif\n\n Call RightTrim(field)\n Return\n End\n \nC Return the nth field in record (method 2)\nC this method considers duplicate delimiters as one\nC\n Subroutine getField2( record, delimiter, nth, field )\n \n CHARACTER*(*) record\n CHARACTER*(*) delimiter\n Integer nth\n CHARACTER*(*) field\n \n Integer nfields\n Integer i, pos1\n Logical infield\n Logical isDel\n \n nfields = 0\n field = ''\n infield = .false.\n Do i=1,LEN(record)\n isDel = (record(i:i).eq.delimiter)\n \n ! check for start of field\n if( .NOT.infield .and. .NOT.isDel ) then \n nfields = nfields+1\n pos1 = i\n infield = .true.\n endif\n \n ! check for end of field\n if( infield .and. isDel ) then\n infield = .false.\n endif\n \n ! if end of nth field, return\n if( nfields.eq.nth .and. .not.infield ) then\n if(pos1.lt.i) field = record(pos1:i-1)\n return\n endif\n enddo\n \n ! check for last field\n if( nfields.eq.nth ) field = record(pos1:)\n \n Return\n End\n\n \nC Return the number of parsed fields in record\n INTEGER FUNCTION getParsedNumber( record, delimiter ) result( nfields )\n\n CHARACTER*(*) record\n CHARACTER*(*) delimiter\n\n Integer i\n\n nfields = 1\n Do i=1, LEN(record)\n if( index(delimiter,record(i:i)) .gt. 0 ) nfields = nfields+1\n EndDo\n\n Return\n End\n \nC Return the nth field of record\n Subroutine getParsedField( record, delimiter, nth, field, includeDel )\n\n CHARACTER*(*) record\n CHARACTER*(*) delimiter\n Integer nth\n CHARACTER*(*) field\n Logical includeDel \n\n Integer nfields\n Integer i, pos1\n \n pos1 = 1\n nfields = 0\n field = ''\n Do i=1, LEN(record)\n if( index(delimiter,record(i:i)) .gt. 0 ) then\n nfields = nfields+1 \n if( nfields .eq. nth ) then\n if( pos1.lt.i ) field = record(pos1:i-1)\n return\n Endif\n\n ! define starting point of next field\n pos1 = i+1\n if( includeDel ) pos1 = i\n \n Endif\n Enddo\n\n nfields = nfields+1 \n\n ! check if last field\n if( nfields .eq. nth ) then\n field = record(pos1:)\n Endif\n\n Return\n End\n \nC****************************************************************************\nC routine to remove leading blank spaces from Character String\nC****************************************************************************\n Subroutine LeftTrim( STRING )\n\n CHARACTER*(*) STRING\n Integer I\n\n Do I=1,LEN(STRING)\n if(STRING(I:I) .ne. CHAR(32)) Then\n STRING = STRING(I:)\n RETURN\n EndIf \n EndDo\n\n Return\n End Subroutine LeftTrim\n\nC****************************************************************************\nC routine to remove trailing white spaces from Character String\nC****************************************************************************\n Subroutine RightTrim( STRING )\n \n CHARACTER*(*) STRING\n Integer I\n \n Do I=LEN(STRING),1,-1\n if(STRING(I:I) .lt. CHAR(32)) STRING(I:I) = CHAR(32)\n if(STRING(I:I) .gt. CHAR(32)) Exit\n EndDo\n\n Return\n End Subroutine RightTrim\n\n\nC****************************************************************************\nC routine to remove quotation marks from character field\nC****************************************************************************\n Subroutine rmQuots( string )\n \n Implicit none\n \n ! arguments \n Character*(*) string\n \n Integer last, i\n \n \n call LeftTrim(string)\n last = LEN_TRIM(string)\n\n ! check for blank string\n if( last.le.0 ) return\n \n ! if no quot marks, return\n if( string(1:1).ne.'\"' .and. string(last:last).ne.'\"') return\n \n ! remove last quot mark\n string(last:last) = ' '\n \n do i=1,last-1\n string(i:i) = string(i+1:i+1)\n enddo \n \n Return \n End Subroutine rmQuots \n\nC****************************************************************************\nC routine to remove commas within quotation marks\nC****************************************************************************\n Subroutine rmCommas( string )\n\n Implicit none\n\n ! arguments\n Character*(*) string\n\n Integer last, i\n Logical infield\n\n ! if no quot marks, return\n if( index(string, '\"').le.0 ) return\n\n call LeftTrim(string)\n last = LEN_TRIM(string)\n\n ! check for blank string\n if( last.le.0 ) return\n \n infield = .false.\n\n do i=1,last\n if(string(i:i).eq.'\"') infield = .NOT.infield \n\n if( infield .and. string(i:i).eq.',') string(i:i) = ' '\n\n enddo\n\n Return\n End Subroutine rmCommas\n\nC***********************************************************************\nC Routine to change character string to upper characters\nC***********************************************************************\n SUBROUTINE UCASE ( STR )\n\n IMPLICIT NONE\n\n CHARACTER STR*( * )\n INTEGER I\n INTEGER K\n\n DO I = 1, LEN(STR)\n K = ICHAR(STR(I:I))\n IF ( ( K .GE. 97 ) .AND. ( K .LE. 122 ) )\n & STR( I:I ) = CHAR( K - 32 )\n END DO\n\n RETURN\n END SUBROUTINE UCASE\n\n\n" }, { "path": "POST/sitecmp_dailyo3/src/process.F", "content": "\n SUBROUTINE PROCESS\n\nC*************************************************************************\nC\nC code for comparing CASTNET data with model data\nC \nC\nC#############################################################\nC# Input files\nC#############################################################\nC\nC ioapi input files containing VNAMES (Max of 10 files)\nC set M3_FILE_1=example1.ioapi\nC set M3_FILE_2=example2.ioapi\nC set M3_FILE_3\nC\nC\nC#############################################################\nC# Output files\nC#############################################################\nC\nC output table (delimited text file importable to Excel)\nC set OUT_TABLE=outTable.txt\nC \nC*************************************************************************\n\n\n USE M3FILES\n USE ENV_VARS\n USE GRID_DATA\n USE TIME_STEP\n USE SITE_DATA\n USE SPECIES_DEF\n USE M3UTILIO\n\n IMPLICIT NONE \n\nC..INCLUDE FILES:\nC INCLUDE SUBST_IOPARMS ! IOAPI parameters\nC INCLUDE SUBST_IOFDESC ! IOAPI file description\nC INCLUDE SUBST_IODECL ! IOAPI declarations\n\nC..ARGUMENTS: None\n\nC..PARAMETERS: None\n\nC..EXTERNAL FUNCTIONS:\nC LOGICAL ISDSTIME\nC INTEGER TIME2SEC\nC INTEGER SECSDIFF\nC INTEGER JULIAN \nC Character*10 HHMMSS\n Character*16 date2Str\n Character*16 date2Str_csv\n Character*16 real2Str\n Character*16 int2Str\n\nC..SAVED LOCAL VARIABLES: None\n\nC..SCRATCH LOCAL VARIABLES:\n CHARACTER*16 PNAME ! Program Name\n CHARACTER*80 MSG ! Error message\n CHARACTER*256 RECORD ! input buffer\n CHARACTER*256 OUTRECORD ! output buffer\n CHARACTER*256 FIELD ! field buffer \n CHARACTER*16 CELLCOLUMN ! field for cell column value\n CHARACTER*16 CELLROW ! field for cell row value\n CHARACTER*1 delimiter ! field delimiter \n\n INTEGER n, i, j, index, in, out, siteNo\n CHARACTER*2560 HEADER1 ! first header line (variable names)\n CHARACTER*2560 HEADER2 ! second header line\n CHARACTER*2560 HEADER3 ! third header line (units)\n CHARACTER*2560 tpRecord ! time period record\n\n Character*20 siteid, siteid2\n Character*2 cpoc\n Integer poc, poc2\n REAL values(32), values2(24)\n\n Integer iyear, imonth, iday, status, julian1\n Integer iyear2, imonth2, iday2, status2, julian2\n Integer stepsec, periodsec, neededsteps, istep1, istep2\n Integer startDate, startTime, endDate, endTime, tz\n Integer recDate\n Real lat, lon, lambX, lambY\n\n Real valmax, varmax, val8max, var8max\n Real valSum,varSum\n Real valmin,varmin\n Real varmax9, var8max9\n Real w126_mod, w126_obs\n Integer valcount, varcount\n Real vardata(32,9) ! species data (tsteps, cells)\n\n Integer hrMaxVal, hrMaxVar, hrMax9Var\n Integer hr8MaxVal, hr8MaxVar, hr8Max9Var\n\n Integer valcnt, varcnt\n Integer nfields\n\n Character*16 :: fields(28)\n LOGICAL DATACHECK\n \nC**********************************************************************\n DATA PNAME / 'PROCESS' /\n DATA delimiter / ',' /\n\nC****************************************************************\nC set units for model species\n\n if( SPECIES%MOD_UNITS .eq. '' ) then\n Call get_units( SPECIES%MOD_NAME(1), SPECIES%MOD_UNITS )\n Endif\n varMin = 0.06\n if( INDEX(SPECIES%MOD_UNITS,'ppb') .gt. 0 ) varMin = 1000.0 * varMin\n\n SPECIES%OBS_UNITS = SPECIES%MOD_UNITS\n valMin = varMin\n\nC****************************************************************\nC open input and output table files\nC****************************************************************\n in = 20\n out = 30 \n open(unit=in, file=IN_TABLE, status='old', err=900)\n open(unit=out, file=OUT_TABLE, err=901)\n\nC*********************************************************************\nC* build headers with variable names and units to headers and write to output\nC*********************************************************************\n ! build time period record\n if( START_DATE.gt.0 .and. END_DATE.gt.0 ) then\n tpRecord = ' Output generated for period ' // TRIM(date2Str(START_DATE))\n tpRecord = TRIM(tpRecord) // ' ' // HHMMSS(START_TIME)\n tpRecord = TRIM(tpRecord) // ' thru ' // TRIM(date2Str(END_DATE))\n tpRecord = TRIM(tpRecord) // ' ' // HHMMSS(END_TIME)\n else\n tpRecord = ' Output generated for all observed readings'\n Endif\n \n header1 = 'SiteId,POCode,State,County,Elevation,Latitude,Longitude,'\n if( LAMBXY ) header1 = TRIM(header1) // 'Lambert-X,LAMBERT-Y,'\n header1 = TRIM(header1) // 'Column,Row,Time On,Time Off,'\n header1 = TRIM(header1) // 'SMM,SDD,SYYYY,EMM,EDD,EYYYY,'\n header1 = TRIM(header1) // 'O3_1hrmax_ob,O3_1hrmax_mod,'\n header1 = TRIM(header1) // 'O3_1hrmax_9cell_ob,O3_1hrmax_9cell_mod,'\n header1 = TRIM(header1) // 'O3_1hrmax_time_ob,O3_1hrmax_time_mod,'\n header1 = TRIM(header1) // 'O3_8hrmax_ob,O3_8hrmax_mod,'\n header1 = TRIM(header1) // 'O3_8hrmax_9cell_ob,O3_8hrmax_9cell_mod,'\n header1 = TRIM(header1) // 'O3_8hrmax_time_ob,O3_8hrmax_time_mod,'\n header1 = TRIM(header1) // 'W126_ob,W126_mod,SUM06_ob,SUM06_mod'\n\n header2 = ',,,,(m),(deg),(deg),,,mm/dd/yyyy hh:mm,mm/dd/yyyy hh:mm' \n if( LAMBXY ) header2 = ',,,,(m),(deg),(deg),(meters),(meters),,,mm/dd/yyyy hh:mm,mm/dd/yyyy hh:mm' \n header2 = TRIM(header2) // ',MM,DD,YYYY,MM,DD,YYYY'\n header2 = TRIM(header2) // ',' // TRIM(SPECIES%OBS_UNITS) \n header2 = TRIM(header2) // ',' // SPECIES%MOD_UNITS \n header2 = TRIM(header2) // ',' // TRIM(SPECIES%OBS_UNITS) \n header2 = TRIM(header2) // ',' // SPECIES%MOD_UNITS \n header2 = TRIM(header2) // ',hour,hour' \n header2 = TRIM(header2) // ',' // TRIM(SPECIES%OBS_UNITS)\n header2 = TRIM(header2) // ',' // SPECIES%MOD_UNITS\n header2 = TRIM(header2) // ',' // TRIM(SPECIES%OBS_UNITS)\n header2 = TRIM(header2) // ',' // SPECIES%MOD_UNITS\n header2 = TRIM(header2) // ',hour,hour' \n header2 = TRIM(header2) // ',ppm-hours,ppm-hours'\n header2 = TRIM(header2) // ',ppm-hours,ppm-hours'\n\n\n header3 = 'id,,,,,,,,,,,,,,,,,observed,modeled,observed,modeled,observed,'//\n & 'modeled,observed,modeled,'//\n & 'observed,modeled,observed,modeled,observed,modeled,observed,modeled' \n \n if( LAMBXY ) header3 =\n & 'id,,,,,,,,,,,,,,,,,,,observed,modeled,observed,modeled,observed,'//\n & 'modeled,observed,modeled,'//\n & 'observed,modeled,observed,modeled,observed,modeled,observed,modeled' \n\n\n\nc Write(out,'(''Maximum Observed and Modeled Ozone Values'',/)')\nc Write(out,'(a,/)') TRIM(tpRecord)\nc Write(out,'(''Maximum Observed and Modeled Ozone Values'')')\nc Write(out,'(a)') TRIM(tpRecord)\n Write(out,'(''Modeled values read from file:'',a)') TRIM(M3FILE)\nc Write(out,'(''Observed values read from file:'',a,/)') TRIM(IN_TABLE)\n Write(out,'(''Observed values read from file:'',a)') TRIM(IN_TABLE)\n Write(out,'(a)') TRIM(tpRecord)\nc Write(out,'(a)') TRIM(header1)\n Write(out,'(a)') TRIM(header2)\n Write(out,'(a)') TRIM(header3)\n Write(out,'(a)') TRIM(header1)\n\n\nC**********************************************************************\nC* read each record, get site and time period\nC**********************************************************************\n ! read values for day 1 \n Call readInput(in, siteid, poc, iyear, imonth, iday, values, status)\n if(status.lt.0) goto 200 \n julian1 = JULIAN(iyear, imonth, iday)\n\n do i=1,24\n if (values(i).ge.0) then\n values(i) = SPECIES%OBS_FACTOR * values (i)\n endif\n enddo !i\n \n\n Do While(.true.)\n DATACHECK = (status.eq.0)\n \n ! read next day and append 8 hours to day 1\n Call readInput(in, siteid2, poc2, iyear2, imonth2, iday2, values2, status2)\n julian2 = JULIAN(iyear2, imonth2, iday2)\n do i=1,24\n if (values2(i).ge.0) then\n values2(i) = SPECIES%OBS_FACTOR * values2 (i)\n endif\n enddo !i\n if(status2.eq.0 .and. siteid2.eq.siteid .and. poc2.eq.poc .and. \n * julian1+1.eq.julian2 )then\n do i=1,8\n values(24+i) = values2(i)\n enddo\n else\n do i=1,8\n values(24+i) = -999 \n enddo\n endif\n\n valcnt = 0\n do i=1,24\n if (values(i).ge.0) then\n valcnt = valcnt + 1\n endif\n enddo !i\n \n if (valcnt .eq. 0) DATACHECK = .FALSE. \n\n siteno = getSiteNumber( siteid )\n \n ! check if site is located in grid domain\n if(getColumn(siteno).eq.0 .OR. getRow(siteno).eq.0) DATACHECK = .FALSE. \n \n if( DATACHECK .and. siteno.gt.0 ) then\n lat = getLatitude( siteno )\n lon = getLongitude( siteno ) \n lambX = getLambertX( siteno )\n lambY = getLambertY( siteno )\n tz = getTimeZone( siteno )\n\n Write(cellColumn,'(i5)') getColumn(siteno)\n Call LeftTrim(cellColumn) \n Write(cellRow,'(i5)') getRow(siteno)\n Call LeftTrim(cellRow) \n \n ! compute date of input record\n recDate = 1000*iyear + JULIAN( iyear, imonth, iday )\n \n ! find start and end dates and times\n startDate = recDate\n startTime = 0\n \n ! adjust timezone for day light saving only if APPLYDLS is true\n if( APPLYDLS .AND. ISDSTIME( startDate ) ) tz = tz-1\n\n ! adjust starting date and time for timezone\n CALL NEXTIME( startDate, startTime, 10000*tz )\n\n endDate = startDate\n endTime = startTime\n CALL NEXTIME( endDate, endTime, 235959 )\n\n ! check if dates are within time window\n if( START_DATE .gt. 0 ) Then\n if( startDate .lt. START_DATE ) DATACHECK = .FALSE. \n if( startDate .eq. START_DATE .and. startTime .lt. START_TIME) DATACHECK = .FALSE. \n Endif\n \n if( END_DATE .gt. 0 ) Then\n if( startDate .gt. END_DATE ) DATACHECK = .FALSE. \n Endif\n\n if( DATACHECK ) then \n Call startEndSteps(startDate, startTime, endDate, endTime, istep1, istep2) \n if( istep1.lt.0 .or.istep2.lt.0 ) DATACHECK = .FALSE.\n Endif\n\n if( DATACHECK ) then\n stepsec = TIME2SEC( TIMESTEP )\n periodsec = SECSDIFF( startDate, startTime, endDate, endTime )\n neededSteps = periodsec / stepsec\n if( neededSteps .gt. istep2-istep1+1 ) then\n Write(*,'(''**Warning** not all values found for day '',i8)') startDate\n endif\n EndIF\n \n ! Read values for SPECIES\n if( DATACHECK ) then\n vardata = 0\n Call getSpeciesValue(siteNo, Species, istep1, istep2+8, vardata )\n\n ! find max value over 24 hour period\n valmax = -99.0\n varmax = -99.0\n hrMaxVal = -99\n hrMaxVar = -99\n valcnt = 0\n varcnt = 0\n\n Do i=1,24\n if( values(i) .ge. 0 ) valcnt = valcnt+1\n if( values(i) .gt. valmax ) then\n valmax = values(i)\n hrMaxVal = i - 1\n endif\n if( vardata(i,5) .ge. 0 ) varcnt = varcnt+1\n if( vardata(i,5) .gt. varmax ) then\n varmax = VARDATA(i,5)\n hrMaxVar = i - 1\n endif \n Enddo\n\n ! check for incomplete days\n if( MISS_CHECK ) then\n if( valcnt.lt.18 ) valmax = -99.0\n if( valcnt.lt.18 ) hrMaxVal = -99\n if( varcnt.lt.18 ) varmax = -99.0\n if( varcnt.lt.18 ) hrMaxVar = -99\n endif\n\n Call get8hourMax(values, val8max, hr8MaxVal, MISS_CHECK)\n Call get8hourMax(vardata(:,5), var8max, hr8MaxVar, MISS_CHECK)\n Call getMax9(vardata, varmax9, hrMax9var)\n Call get8hrMax9(vardata, var8max9, hr8Max9var, MISS_CHECK)\n Call getW126(values, SPECIES%OBS_UNITS, w126_obs)\n Call getW126(vardata(:,5), SPECIES%MOD_UNITS, w126_mod)\n\n ! find sum06 value, sum over values (8am-8pm) \n valSum = 0.0\n varSum = 0.0\n valCnt = 0\n varCnt = 0\n\n Do i=8,20\n if( values(i) .ge. 0.0 ) valCnt = valCnt + 1\n if( vardata(i,5) .ge. 0.0 ) varCnt = varCnt + 1 \n if( values(i) .ge. valMin ) valSum = valSum + values(i)\n if( vardata(i,5) .ge. varMin ) varSum = varSum + vardata(i,5) \n Enddo\n\n ! check for missing values\n if( valCnt .lt. 8 ) valSum = -99.0\n if( varCnt .lt. 8 ) varSum = -99.0\n \n if( INDEX(SPECIES%MOD_UNITS,'ppb') .gt. 0 ) then !convert sum06 back to ppm-hours for output\n if (valSum.ge.0.) valSum = valSum / 1000.\n if (varSum.ge.0.) varSum = varSum / 1000.\n endif\n\n !build output fields\n if( LAMBXY ) then\n nfields = 26\n fields(1) = real2Str(lat, .false.)\n fields(2) = real2Str(lon, .false.)\n fields(3) = real2Str(lambX, .false.)\n fields(4) = real2Str(lambY, .false.)\n fields(5) = cellColumn\n fields(6) = cellRow\n write (fields(7),'(a,a)') Trim(date2Str(recDate)),' 00:00'\n write (fields(8),'(a,a)') Trim(date2Str(recDate)),' 23:59'\n write (fields(9),'(a)') Trim(date2Str_csv(recDate))\n write (fields(10),'(a)') Trim(date2Str_csv(recDate))\n fields(11) = real2Str(valmax, .true.)\n fields(12) = real2Str(varmax, .true.)\n fields(13) = real2Str(valmax, .true.)\n fields(14) = real2Str(varmax9, .true.)\n fields(15) = int2Str(hrMaxVal, .true.)\n fields(16) = int2Str(hrMaxVar, .true.)\n fields(17) = real2Str(val8max, .true.)\n fields(18) = real2Str(var8max, .true.)\n fields(19) = real2Str(val8max, .true.)\n fields(20) = real2Str(var8max9, .true.)\n fields(21) = int2Str(hr8MaxVal, .true.)\n fields(22) = int2Str(hr8MaxVar, .true.)\n fields(23) = real2Str(w126_obs, .true.)\n fields(24) = real2Str(w126_mod, .true.)\n fields(25) = real2Str(valSum, .true.)\n fields(26) = real2Str(varSum, .true.)\n else\n nfields = 24\n fields(1) = real2Str(lat, .false.)\n fields(2) = real2Str(lon, .false.)\n fields(3) = cellColumn\n fields(4) = cellRow\n write (fields(5),'(a,a)') Trim(date2Str(recDate)),' 00:00'\n write (fields(6),'(a,a)') Trim(date2Str(recDate)),' 23:59'\n write (fields(7),'(a)') Trim(date2Str_csv(recDate))\n write (fields(8),'(a)') Trim(date2Str_csv(recDate))\n fields(9) = real2Str(valmax, .true.)\n fields(10) = real2Str(varmax, .true.)\n fields(11) = real2Str(valmax, .true.)\n fields(12) = real2Str(varmax9, .true.)\n fields(13) = int2Str(hrMaxVal, .true.)\n fields(14) = int2Str(hrMaxVar, .true.)\n fields(15) = real2Str(val8max, .true.)\n fields(16) = real2Str(var8max, .true.)\n fields(17) = real2Str(val8max, .true.)\n fields(18) = real2Str(var8max9, .true.)\n fields(19) = int2Str(hr8MaxVal, .true.)\n fields(20) = int2Str(hr8MaxVar, .true.)\n fields(21) = real2Str(w126_obs, .true.)\n fields(22) = real2Str(w126_mod, .true.)\n fields(23) = real2Str(valSum, .true.)\n fields(24) = real2Str(varSum, .true.)\n endif\n\n write(cpoc,'(i0)') poc\n ! write output record to out table\n Write(out,'(70a)') Trim(siteid),delimiter,Trim(cpoc),\n & delimiter,trim(SITES(siteno)%state),\n & delimiter,trim(SITES(siteno)%county),\n & delimiter,trim(real2Str(SITES(siteno)%elev, .true.)),\n & (delimiter,Trim(fields(i)), i=1,nfields)\n\n Write(*,'(''values for site '',a,'' written for '',a)') \n & Trim(siteid), Trim(fields(5)) \n \n Endif\n \n Else\n If(siteno .le. 0 ) then\n Write(*,'(''Site not found in SITE_FILE: '',a)') Trim(siteid)\n endif\n EndIf \n\n ! exit loop at eof \n if( status2.lt.0 ) go to 200\n\n ! copy values from day2 to day1\n siteid = siteid2\n poc = poc2\n iyear = iyear2\n imonth = imonth2\n iday = iday2\n julian1 = julian2\n status = status2\n do i=1,24\n values(i) = values2(i)\n enddo\n \n EndDo\n 200 continue\n\n RETURN\n\n 900 write(*,'('' Cannot open input table file ['',a,'']'')') TRIM(IN_TABLE)\n return\n\n 901 write(*,'('' Cannot open output table file ['',a,'']'')') TRIM(OUT_TABLE)\n return\n END\n\n\nC****************************************************************************\nC routine to find the starting and ending time steps\nC****************************************************************************\n Subroutine startEndSteps(startDate, startTime, endDate, endTime, istep1, istep2)\n\n USE TIME_STEP\n\n INTEGER startDate, startTime, endDate, endTime, istep1, istep2\n\n INTEGER I\n\n istep1 = -1\n istep2 = -1\n \n ! find starting step\n Do I=1,NSTEPS\n if( STEP_DATE(I).gt.startDate ) istep1=I \n if( STEP_DATE(I).eq.startDate .AND. STEP_TIME(I).ge.startTime ) istep1=I\n if(istep1.gt.0) EXIT\n EndDo\n\n ! if starting point not found return -1's\n if(istep1.lt.0) return \n\n istep2 = NSTEPS\n\n ! find ending step\n Do I=istep1,NSTEPS\n if( STEP_DATE(I).gt.endDate ) EXIT\n if( STEP_DATE(I).eq.endDate .AND. STEP_TIME(I).gt.endTime ) EXIT\n istep2=I\n EndDo\n\n Return\n End Subroutine startEndSteps\n\n\nC****************************************************************************\nC routine to get values for species from ioapi files for time period\nC****************************************************************************\n Subroutine getSpeciesValue(siteNo, Spec, istep1, istep2, values)\n \n USE ENV_VARS\n USE SITE_DATA\n USE SPECIES_DEF\n USE TIME_STEP\n \n IMPLICIT NONE\n \nC..ARGUMENTS:\n INTEGER siteNo\n TYPE ( SPEC_VAR ) Spec\n INTEGER istep1, istep2\n Real values(32,9) \n \nC..Local variables\n Real specValues(32,9)\n Real*8 specValue\n Integer nvalues, nv\n Integer n, i, c\n Integer lastStep\n \nC.. allocate array to store values read from ioapi files\n nvalues = istep2 - istep1 + 1\n \n lastStep = istep2\n \nC.. check if last step is past end of data\n if(istep2.gt.NSTEPS) then\n\n ! initialize values past end of data to -99\n nv = NSTEPS - istep1 + 1\n if(nv.lt.0) nv=0 \n Do i=nv+1,nvalues\n values(i,:) = -99.0\n enddo\n\n ! set the number of values to read\n lastStep = NSTEPS\n nvalues = nv\n endif\n\nC.. initialize specValue to zero\n specValue = 0.0\n\nC.. read each model species from file and update values\n Do n=1,spec%NUMSPEC\n Call getValues(siteNo, spec%MOD_NAME(n), istep1, lastStep, specValues) \n \n ! update each cell 1-9\n do c = 1,9\n ! update values array\n Do i=1,nvalues\n \n ! adjust value by factor\n if ( (values(i,c) .ge. 0.) .and. (specValues(i,c) .ge. 0.) )then\n values(i,c) = values(i,c) + specValues(i,c) * spec%MOD_FACTOR(n)\n endif\n Enddo \n EndDo\n EndDo\n \n Return\n End Subroutine getSpeciesValue\n \n\nC****************************************************************************\nC routine to read values from files at site for variable for time period\nC****************************************************************************\n SUBROUTINE getValues(siteNo, VARNAME, istep1, istep2, VALUES)\n\n USE SITE_DATA\n USE M3FILES\n USE ENV_VARS\n USE GRID_DATA\n USE TIME_STEP\n USE M3UTILIO\n \n\n IMPLICIT NONE \n\nC..INCLUDE FILES:\nC INCLUDE SUBST_IOPARMS ! IOAPI parameters\nC INCLUDE SUBST_IOFDESC ! IOAPI file description\nC INCLUDE SUBST_IODECL ! IOAPI declarations\n\nC..ARGUMENTS:\n INTEGER siteNo\n Character*(*) VARNAME\n INTEGER istep1, istep2\n REAL VALUES(32,9)\n\nC..SCRATCH LOCAL VARIABLES:\n INTEGER N, I, J, C, R, C1, R1, S\n INTEGER row, col\n CHARACTER*16 PNAME ! Program Name\n CHARACTER*80 MSG ! Error message\n REAL, Allocatable, Save :: GRIDVAL(:,:)\n REAL, Allocatable, Save :: SITEVAL(:,:,:)\n LOGICAL, Save :: LFIRST \n\n DATA LFIRST / .true. /\n DATA PNAME / 'SITE_EXTRACT' /\n\n\n ! on first time called, allocate memory for GRIDVAL array\n if( LFIRST ) then\n Allocate ( GRIDVAL( M3GRID % NCOLS, M3GRID % NROWS ) )\n Allocate ( SITEVAL( size(SITES), NSTEPS , 9 ) )\n SITEVAL = -999.\n LFIRST = .false.\n \n do N = 1, NSTEPS !number of time steps across all model files from module_tstep\n\n IF( .NOT. READ3( M3_FLNAME(STEP_FILE(N)), VARNAME, 1, STEP_DATE(N), \n & STEP_TIME(N), GRIDVAL ) ) THEN\n \n MSG = 'Could not read input Models-3 file ' // M3_FLNAME(STEP_FILE(N)) \n CALL M3WARN( PNAME, STEP_DATE(N), STEP_TIME(N), MSG)\n \n ELSE\n \n do S = 1, size(SITES)\n\n row = getRow(S)\n col = getColumn(S)\n\n if ( ( row .ne. 0 ) .and. ( col .ne. 0 ) ) then\n\n j = 0\n Do c = col-1,col+1\n Do r = row-1, row+1\n j = j+1\n\n ! check for edge of grid\n c1 = c\n r1 = r\n if(c1.le.0 .or. c1.gt.NCOLS3D) c1 = col\n if(r1.le.0 .or. r1.gt.NROWS3D) r1 = row\n SITEVAL(S,N,J) = GRIDVAL( c1, r1 )\n endDo ! row loop\n enddo ! column loop\n \n endif ! site within domain\n\n enddo !S\n \n ENDIF\n \n enddo !N\n EndIf !first time\n\n\n\n ! loop to read each value in time period\n I = 0\n Do N=istep1, istep2\n I = I + 1\n \n do J = 1, 9\r\n VALUES(I,J) = SITEVAL(siteno,n,j)\n endDo ! J\n enddo ! N\n\n \n Return\n End SUBROUTINE getValues \n\n\nC****************************************************************************\nC routine to compute the 8 hour max from array of hourly values \nC****************************************************************************\n Subroutine get8hourMax(values,sumMax,hourMax,missChk) \n \n USE ENV_VARS\n\n Implicit None\n\n ! arguments\n Real values(*)\n Real sumMax\n Integer hourMax\n Logical missChk\n\n Integer i,j,count,tcount\n Real sum\n\n tcount = 0\n summax = -99.0\n hourMax = -99\n \n if ( HOURS_8HRMAX .eq. 24 ) then ! use 24 8hr values\n\n do i=1,24\n sum = 0\n count = 0\n do j=1,8\n if( values(i+j-1).ge.0.0 ) then\n count = count + 1\n sum = sum + values(i+j-1)\n endif\n enddo\n\n if( count .ge. 6 ) then\n tcount = tcount + 1\n sum = sum / count\n if( sum .gt. summax ) then\n summax = sum\n hourMax = i - 1\n endif\n Endif\n enddo\n\n if( missChk .and. tcount.lt.18 ) then !require 18/24\n summax = -99.0\n hourMax = -99\n endif\n\n else !use only 17 8hr values, from 7 am to 11 pm\n\n do i=8,24\n sum = 0\n count = 0\n do j=1,8\n if( values(i+j-1).ge.0.0 ) then\n count = count + 1\n sum = sum + values(i+j-1)\n endif\n enddo\n\n if( count .ge. 6 ) then\n tcount = tcount + 1\n sum = sum / count\n if( sum .gt. summax ) then\n summax = sum\n hourMax = i - 1\n endif\n Endif\n enddo\n\n if( missChk .and. tcount.lt.13 ) then !require 13/17\n summax = -99.0\n hourMax = -99\n endif\n \n \n endif\n\n return\n End Subroutine get8hourMax\n \n \nC****************************************************************************\nC routine to compute the W126 value from array of hourly values \nC****************************************************************************\n Subroutine getW126(values, units, w126) \n\n Implicit None\n\n ! arguments\n Real values(*)\n Character*(*) units\n Real w126 \n\n Integer i,count\n Real ozone\n Real sum\n Real factor\n Character*(10) lunits\n\n count = 0\n sum = 0.0\n w126 = -999.0\n factor = 1.0 ! units = ppm\n\n ! if units contain ppb, then set factor to 0.001\n lunits = TRIM(units)\n Call UCASE(lunits)\n if( INDEX(lunits,'PPB') .gt. 0 ) factor = 0.001\n\n do i=8,19 ! go from 8am to 7pm local time\n if( values(i).ge.0.0 ) then\n ozone = factor * values(i)\n count = count + 1\n sum = sum + ozone / (1.0 + 4403.0 * EXP( -126*ozone ))\n endif\n enddo\n\n if( count .ge. 9 ) then\n w126 = sum\n endif \n\n return\n End Subroutine getW126\n \n\nC****************************************************************************\n\nC****************************************************************************\nC routine to compute the max hourly of all 9 cells\nC****************************************************************************\n Subroutine getMax9(values, max9, hourMax)\n\n Implicit None\n\n ! arguments \n Real values(32,9)\n Real max9\n Integer hourMax\n\n ! local variables\n Integer i,j\n \n max9 = 0.0\n hourMax = 0\n do i=1,24\n do j=1,9\n if( values(i,j).ge.max9 ) then\n max9 = values(i,j)\n hourMax = i - 1\n endif\n enddo \n enddo\n\n if( max9.le.0 ) then\n max9 = -999.0\n hourMax = -99\n endif\n \n return \n\n End Subroutine getMax9\n\n\nC****************************************************************************\nC routine to compute the 8 hour max for each 9 cells\nC****************************************************************************\n Subroutine get8hrMax9(values, max9, hourMax, missChk)\n\n Implicit None\n\n ! arguments\n Real values(32,9)\n Real max9\n Integer hourMax\n Logical missChk\n\n ! local variables\n Integer i, hr\n Real cellMax\n\n max9 = -99.0\n do i=1,9\n Call get8hourMax(values(:,i), cellMax, hr, missChk)\n if( cellMax.ge.max9 ) then\n max9 = cellMax\n hourMax = hr\n endif\n enddo\n\n return\n End Subroutine get8hrMax9\n \n\nC****************************************************************************\nC routine to convert date to string as \"mm/dd/yyyy\"\nC****************************************************************************\n Character*16 Function date2Str( idate ) result(dateStr)\n\n Integer idate\n Integer status\n\nC.. local variables\n Integer month, day, year\n\n call DayMon( idate, month, day )\n year = idate/1000\n\n write(dateStr,'(i2.2,''/'',i2.2,''/'',i4.4)',iostat=status) month,day,year\n return\n End Function date2Str\n\nC****************************************************************************\nC routine to convert date and time to string as \"MM,DD,YYYY\"\nC****************************************************************************\n\n Character*16 Function date2Str_csv( idate ) result(dateStr)\n\n Integer idate\n Integer status\n\nC.. local variables\n Integer month, day, year\n\n call DayMon( idate, month, day )\n year = idate/1000\n\n write(dateStr,'(i2.2,'','',i2.2,'','',i4.4)',iostat=status) month,day,year\n return\n End Function date2Str_csv\n\n\nC****************************************************************************\nC routine to convert real to string \nC****************************************************************************\n Character*16 Function real2Str( value, chk4miss ) result(realStr)\n \n USE ENV_VARS\n\n Real value \n Logical chk4miss \n Character*80 record\n Integer status\n\n if( chk4miss .and. value.lt.0.0 ) then \n realStr = MISSING_VALUE\n Call LeftTrim(realStr)\n return\n endif\n\n Write(record,'(G14.5)',iostat=status) value\n Call LeftTrim(record)\n realStr = record\n return\n End Function real2Str\n \n \nC****************************************************************************\nC routine to convert integer to string \nC****************************************************************************\n Character*16 Function int2Str( value, chk4miss ) result(intStr)\n\n USE ENV_VARS\n\n Implicit None\n\n Integer value \n Logical chk4miss \n Character*80 record\n Integer status\n\n if( chk4miss .and. value.lt.0 ) then \n intStr = MISSING_VALUE\n Call LeftTrim(intStr)\n return\n endif\n\n Write(record,'(I15)',iostat=status) value\n Call LeftTrim(record)\n intStr = record\n return\n End Function int2Str\n \n \n" }, { "path": "POST/sitecmp_dailyo3/src/sitecmp_dailyo3.F", "content": "!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\n PROGRAM SITECMP_DAILYO3\n\nC**********************************************************************\nC\nC program to generate a table comparing AIRS and modeled ozone values\nC\nC**********************************************************************\n USE M3FILES\n USE ENV_VARS\n USE GRID_DATA\n USE TIME_STEP\n USE SITE_DATA\n USE SPECIES_DEF\n USE M3UTILIO\n\n\n IMPLICIT NONE \n\nC..INCLUDES: \nC INCLUDE SUBST_IOPARMS ! IOAPI parameters\nC INCLUDE SUBST_IOFDESC ! IOAPI file description\nC INCLUDE SUBST_IODECL ! IOAPI declarations\n \nC..ARGUMENTS:\n\nC..PARAMETERS: None\n\nC..EXTERNAL FUNCTIONS: None\n \nC..SAVED LOCAL VARIABLES: None\n\nC..SCRATCH LOCAL VARIABLES:\n CHARACTER*16 PNAME ! Program Name\n CHARACTER*80 MSG ! Error message\n\n INTEGER N ! Loop index\n\nC**********************************************************************\n DATA PNAME / 'SITECMP_DAILYO3' /\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get the Models-3 file(s) to process and the other environment \nc variables\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n CALL OPEN_M3FILES\n !Write(*,'('' M3FILES opened'')')\n\n Call GET_SPECS\n !Write(*,'('' Species defined'')')\n\n CALL GET_ENVS\n !Write(*,'('' Environment values defined'')')\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Check the file(s) for consistency and make sure the requested \nc species is on the file(s)\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n CALL CK_M3FLS()\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get the grid definition and the tsteps from the M3 files\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n CALL GET_M3GRID\n\n CALL GET_TSTEPS\n !Write(*,'('' M3FILE grid and time steps defined'')')\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get the site data \nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n CALL LOAD_SITES\n CALL SET_SITE_LOC\n !Write(*,'('' Sites read'')')\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Call the routine to extract the data and generate the output file \nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n! if( COMPUTE_SUM06 ) Then\n! Write(*,'('' extracting daily SUM06 values'')')\n! Call process3\n! CALL EXIT( 0 )\n! endif\n \n! if( COMPUTE_MAX ) Then\n Write(*,'('' extracting daily maximum values'')')\n Call process\n WRITE( LOGUNIT, 92020 )\n & '>>----> Program ' // PNAME // ' completed successfully <----<<' \n CALL EXIT( 0 )\n! endif\n\n! Write(*,'('' extracting hourly values'')')\n! Call process1\n! CALL EXIT( 0 )\n \n WRITE( LOGUNIT, 92020 )\n & '>>----> Program ' // PNAME // ' completed successfully <----<<' \n\n\n CALL EXIT( 0 )\n\nC****************** FORMAT STATEMENTS ******************************\n\n\n92020 FORMAT( //5X, A, // )\n\n END\n \n \n" }, { "path": "POST/sitecmp_dailyo3/src/utilities.F", "content": "!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC******************************************************************************\nC subroutine to read values for day from observed hourly hourly file\nC Assumptions: labels for species and optional QA flag label /strings are\nC defined by environment variables OBS_SPECIES, QA_FLAG_HEADER,\nC QA_FLAG_VALUES, and QA_FLAG_CHECK\nC******************************************************************************\n Subroutine readInput(in, site, poc, iyear, imonth, iday, values, status)\n\n USE ENV_VARS\n\n IMPLICIT NONE \n\n ! arguments\n Integer in, iyear, imonth, iday, status\n Character*(*) site\n Integer poc\n Real values(24)\n\n ! functions\n Integer getNumberOfFields\n\n ! saved\n Logical, save :: firstime=.TRUE.\n Integer, save :: ozoneFld\n Integer, save :: flagFld\n Integer, save :: pocFld\n Integer, save :: siteFld\n Integer, save :: sdateFld\n\n ! local\n Integer i, ihour, stat\n Character*256 record\n Character*256 field \n Character*256 field2 \n Integer poc2\n Character*16 flag \n Integer iyr, imon, idy, ihr\n Integer f, nflds\n\n\n status = 0\n values = -99.0\n\n !! first pass\n if( firstime ) then\n firstime = .false.\n \n Read(in,'(a)',iostat=status) record\n if(status.ne.0) then \n status = -1 \n return \n endif \n\n nflds = getNumberOfFields(record,',')\n siteFld = -1\n pocFld = -1\n sdateFld = -1\n ozoneFld = -1\n flagFld = -1\n Do f=1,nflds\n Call getField(record, ',', f, field)\n Call UCASE(field)\n Call LeftTrim(field)\n Call UCASE(OBS_SPECIES_NAME)\n Call UCASE(QA_FLAG_NAME)\n if ( TRIM(field) .eq. 'SITE_ID' ) siteFld = f\n if (( TRIM(field) .eq. 'DATEON' ) .or. \n * ( TRIM(field) .eq. 'DATE_TIME' )) sdateFld = f\n if( TRIM(field) .eq. 'POCODE' ) pocFld = f\n if( TRIM(field) .eq. 'POCODE' ) pocFld = f\n if( TRIM(field) .eq. TRIM(OBS_SPECIES_NAME) ) ozoneFld = f\n if (QAFLAG_CHECK) then \n if( TRIM(field) .eq. TRIM(QA_FLAG_NAME) ) flagFld = f \n endif\n enddo\n\n ! check if ozone field was found\n if( ozoneFld.lt.1 ) then\n write(*,'(''**ERROR** Cannot locate observed ozone field '',a)') OBS_SPECIES_NAME\n Stop\n endif\n\n endif\n\n !! read first record to get site and date\n Read(in,'(a)',iostat=status) record\n if(status.ne.0) then\n status = -1\n return\n endif\n\n Call getField(record, ',', siteFld, field) \n Call LeftTrim(field) \n Call rmQuots(field)\n site = field\n Call getField(record, ',', sdateFld, field)\n Call LeftTrim(field)\n Call rmQuots(field)\n Call str2Date(field, iyear, imonth, iday, ihour)\n if(iyear.le.0) then\n status = 1\n return\n endif\n\t\n if (pocFld .gt. 0) then\n\n Call getField(record, ',', pocFld, field) \n Call LeftTrim(field) \n Call rmQuots(field)\n read(field,*) poc\n\n else\n \n poc = 1 !default POC\n \n endif\n\n Call getField(record, ',', ozoneFld, field)\n Call LeftTrim(field)\n Call rmQuots(field)\n read(field,'(f16.0)',iostat=stat) values(ihour)\n flag = ' '\n if( flagFld.gt.0 ) Call getField(record, ',', flagFld, flag)\n Call LeftTrim(flag)\n Call rmQuots(flag)\n Call UCASE(QA_FLAG_STRING)\n\n if(stat.ne.0 .or. values(ihour).le.0 .or. INDEX(TRIM(QA_FLAG_STRING),flag(1:1)).gt.0) values(ihour)=-99.0\n\n ! read next 23 records to complete day\n Do i=1,23\n Read(in,'(a)',iostat=status) record\n if(status.ne.0) then\n status = -1\n return\n endif\n\n ! check for new year\n Call getField(record, ',', sdateFld, field)\n Call LeftTrim(field)\n Call rmQuots(field)\n Call str2Date(field, iyr, imon, idy, ihr) \n if(iyear.le.0) then\n status = 1\n return\n endif\n\n ! read site field\n Call getField(record, ',', siteFld, field) \n Call LeftTrim(field)\n Call rmQuots(field)\n\n ! attempt to read POC field\n if (pocFld .gt. 0) then\n\n Call getField(record, ',', pocFld, field2) \n Call LeftTrim(field2) \n Call rmQuots(field2)\n\t read(field2,*) poc2\n\t \n else\n \n poc2 = 1 !default POC\n \n endif\n\n ! check for new site or date\n if(iyr.ne.iyear .or. imon.ne.imonth .or.\n & idy.ne.iday .or. field.ne.site .or.\n & poc2.ne.poc ) Then\n backspace in\n endif\n\n Call getField(record, ',', ozoneFld, field) \n Call LeftTrim(field)\n Call rmQuots(field)\n read(field,'(f16.0)',iostat=stat) values(ihr)\n flag = ' '\n if(flagFld.gt.0) Call getField(record, ',', flagFld, flag) \n Call LeftTrim(flag)\n Call rmQuots(flag)\n Call UCASE(QA_FLAG_STRING)\n if(stat.ne.0 .or. values(ihr).le.0 .or. INDEX(TRIM(QA_FLAG_STRING),flag(1:1)).gt.0) values(ihr)=-99.0\n endDo\n\n return\n End \n \n\n****************************************************************************\nC routine to convert date string \"yyyy-mm-dd\" to an Integer value yyyyDDD\nC****************************************************************************\n Subroutine str2Date( dateStr, yr, mo, dy, hr )\n \n Character*(*) dateStr\n Integer yr, mo, dy, hr\n Character*22 cString\n Character*10 dString\n Character*10 tString\n \n Character*10 monStr\n Character*10 dayStr\n Character*10 yrStr\n Character*10 hhStr\n \n Integer i,j,nchar\n \n ! adjust for quote mark\n j = 0\n if(dateStr(1:1).eq.'\"') j=1\n \n nchar = min( LEN(dateStr), 20+j )\n \n Do i=1,nchar\n cString(i:i) = dateStr(i+j:i+j)\n EndDo\n\n Call getField(cString,' ',1,dstring) \n Call getField(cString,' ',2,tstring) \n \n if( index(dString,'-') .gt. 0 ) then ! yyyy-mm-dd\n Call getField(dString,'-',1,yrStr)\n Call getField(dString,'-',2,monStr)\n Call getField(dString,'-',3,dayStr)\n elseif( index(dString,'/') .gt. 0 ) then ! mm/dd/yyyy\n Call getField(dString,'/',3,yrStr)\n Call getField(dString,'/',1,monStr)\n Call getField(dString,'/',2,dayStr)\n else !yyyymmdd\n yrStr = dString(1:4)\n monStr = dString(5:6)\n dayStr = dString(7:8)\n Endif\n\n Read(monStr,'(i10)',err=500) mo\n Read(dayStr,'(i10)',err=500) dy\n Read(yrStr,'(i10)',err=500) yr\n \n ! check for 2 digit year\n if( yr.gt.0 .and. yr.lt.100 ) Then\n if( yr.ge.50 ) yr = yr + 1900\n if( yr.lt.50 ) yr = yr + 2000\n Endif\n\n Call getField(tString,':',1,hhStr)\n Read(hhStr,'(i10)',err=501) hr\n hr = hr+1\n return\n \n 500 Write(*,'(''Error converting date string '',a)') TRIM(dString)\n yr = -99\n Return\n\n 501 Write(*,'(''Error converting hour string '',a)') Trim(tString)\n yr = -99\n Return\n End Subroutine str2Date\n \n\n" }, { "path": "POST/writesite/README.md", "content": "writesite\n========\n\nThis Fortran program generates a csv file from an IOAPI data file for a set of species at defined site locations. \n\n## Options:\n
    \n
  1. Program can shift to local standard time for hourly data based on default time zone file
    2. \n
  2. Data at all cells or at defined site locations can be specified
    3. \n
  3. Date range can be specified
    4. \n
  4. Grid layer can be specified
    5. \n
\n\n## Run Time Environment variables used:\n```\n INFILE name of IOAPI input file. Supported map projections are Lambert conformal, polar stereographic, \n and lat/lon\n SITE_FILE name of input file containing sites to process (default is all cells)\n DELIMITER delimiter used in site file (default is )\n USECOLROW site file contains column/row values (default is N, meaning lon/lat values will be used)\n TZFILE location of time zone data file, tz.csv (this is a required input file)\n OUTFILE name of output file\n LAYER grid layer to output (default is 1)\n USELOCAL adjust to local standard time (default is N)\n TIMESHIFT shifts time of data (default is 0)\n PRTHEAD switch to output header records (default is Y)\n PRT_XY switch to output map projection coordinates (default is Y) \n STARTDATE first date to process (default is starting date of input file)\n ENDDATE last date to process (default is ending date of input file)\n SPECIES_# list of species to output (e.g. setenv SPECIES_1 O3). \n To extract all species use: setenv SPECIES_1 ALL\n```\n## Format of SITE_FILE:\n\nThe SITE_FILE file has one line per location with the following format:\n\n`LABEL` `DELIMITER` `X` `DELIMITER` `Y`\n\nwhere\n* `LABEL` is a user-defined text string used to label each location. The text string is then used in the 'sideid' column of OUTFILE. It can represent a station ID associated with a given pair of latitude and longitude values, a string consisting of column and row numbers if `USECOLROW` is T, or any other unique string with a length up to 10 characters.\n* `DELIMITER` is defined by the associated environment variable.\n* `X`/`Y` are:\n * By default, longitude/latitude in decimal degrees\n * If `USECOLROW` is T, then `X` should be between (1, `NCOLS`) and `Y` should be between (1, `NROWS`).\n\n## Run Time Environment variables (not required):\n```\n IOAPI_ISPH projection sphere type (use type #20 to match WRF/CMAQ)\n (ioapi default is 8)\n```\n\n## Compile writesite source code:\n\nExecute the build script to compile writesite:\n\n```\ncd $CMAQ_HOME/POST/writesite/scripts\n./bldit_writesite.csh [compiler] [version] |& tee build_writesite.log\n```\n\n## Run writesite:\nEdit the sample run script (run.writesite), then run:\n```\n ./run.writesite|& tee writesite.log\n```\n\nCheck the log file to ensure complete and correct execution without errors.\n\n" }, { "path": "POST/writesite/inputs/sites.txt", "content": "7440, -74.75, 40.75\n" }, { "path": "POST/writesite/inputs/tz.csv", "content": 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Rico\r\n-65.7568,18.0359\r\n-65.7602,18.0245\r\n-65.7771,17.9987\r\n-65.8068,17.9677\r\n-65.818,17.9621\r\n-65.8477,17.9502\r\n-65.8574,17.9466\r\n-66.1242,17.9022\r\n-66.1576,17.9082\r\n-66.2101,17.9234\r\n-66.2671,17.9474\r\n-66.2949,17.941\r\n-66.3737,17.9623\r\n-66.493,17.9443\r\n-66.5066,17.9412\r\n-66.5903,17.9447\r\n-66.6036,17.9471\r\n-66.6336,17.9612\r\n-66.7083,17.9505\r\n-66.7265,17.9404\r\n-66.7408,17.9338\r\n-66.7607,17.927\r\n-66.8461,17.9091\r\n-66.8585,17.9079\r\n-66.872,17.9104\r\n-66.9863,17.9396\r\n-67.0147,17.9299\r\n-67.1033,17.9126\r\n-67.1233,17.9334\r\n-67.1126,18.0151\r\n-67.0938,18.0858\r\n-67.0749,18.168\r\n-67.076,18.1946\r\n-67.0875,18.2174\r\n-67.091,18.227\r\n-67.1113,18.2596\r\n-67.1331,18.2665\r\n-67.1454,18.2698\r\n-67.1593,18.2811\r\n-67.1685,18.2925\r\n-67.1802,18.321\r\n-67.1848,18.3448\r\n-67.0888,18.4665\r\n-67.0728,18.4826\r\n-67.0627,18.4898\r\n-67.0203,18.4975\r\n-67.0018,18.4988\r\n-66.9821,18.4986\r\n-66.9583,18.4954\r\n-66.9446,18.493\r\n-66.9152,18.4845\r\n-66.6877,18.4672\r\n-66.6146,18.4689\r\n-66.4697,18.4618\r\n-66.3857,18.4536\r\n-66.2249,18.4465\r\n-66.1279,18.4436\r\n-66.1144,18.4433\r\n-66.056,18.445\r\n-66.0224,18.3959\r\n-66.0352,18.4513\r\n-65.9507,18.4249\r\n-65.9341,18.4358\r\n-65.9241,18.4399\r\n-65.9107,18.4395\r\n-65.8242,18.4339\r\n-65.8103,18.4317\r\n-65.7214,18.4099\r\n-65.5635,18.3548\r\n-65.5473,18.3446\r\n-65.5504,18.255\r\n-65.5525,18.2449\r\n-65.523,18.2143\r\n-65.5338,18.2011\r\n-65.6129,18.1735\r\n-65.744,18.0439\r\n-65.7568,18.0359\r\n-65.7568,18.0359\r\n86,-6.0,Belize\r\n-89.034,17.7992\r\n-89.035,17.931\r\n-89.0135,17.9509\r\n-88.9639,17.975\r\n-88.9148,17.9846\r\n-88.889,17.9673\r\n-88.8754,17.9457\r\n-88.7642,17.8874\r\n-88.7338,17.8841\r\n-88.6664,17.9688\r\n-88.6206,18.0346\r\n-88.5967,18.0897\r\n-88.5735,18.1651\r\n-88.4925,18.2157\r\n-88.4816,18.2705\r\n-88.4096,18.4096\r\n-88.3988,18.4268\r\n-88.3665,18.4633\r\n-88.2981,18.4694\r\n-88.2641,18.4613\r\n-88.2366,18.4606\r\n-88.1923,18.4622\r\n-88.1826,18.4303\r\n-88.2062,18.4041\r\n-88.2083,18.3436\r\n-88.1017,18.3325\r\n-87.9906,18.3529\r\n-87.975,18.2512\r\n-87.9709,18.1954\r\n-87.9804,18.102\r\n-88.0164,18.0092\r\n-88.044,17.9461\r\n-88.0563,17.9313\r\n-88.0797,17.9039\r\n-88.0955,17.8673\r\n-88.102,17.7826\r\n-88.1051,17.7558\r\n-88.1191,17.6962\r\n-88.1268,17.6765\r\n-88.1451,17.6461\r\n-88.1666,17.6253\r\n-88.1757,17.6042\r\n-88.1717,17.5612\r\n-88.1422,17.4459\r\n-88.1539,17.4028\r\n-88.1782,17.304\r\n-88.1879,17.2575\r\n-88.192,17.2193\r\n-88.1927,17.1666\r\n-88.1825,17.1033\r\n-88.1736,17.0788\r\n-88.1593,17.0613\r\n-88.1285,17.0458\r\n-88.1071,16.943\r\n-88.1277,16.9269\r\n-88.1566,16.9071\r\n-88.1717,16.8707\r\n-88.1735,16.7819\r\n-88.1963,16.6249\r\n-88.2549,16.4833\r\n-88.2409,16.5842\r\n-88.2725,16.5434\r\n-88.2877,16.5231\r\n-88.279,16.5087\r\n-88.2818,16.4721\r\n-88.4236,16.2798\r\n-88.5444,16.2617\r\n-88.6205,16.2136\r\n-88.6382,16.1897\r\n-88.6855,16.1011\r\n-88.747,16.0364\r\n-88.8165,15.9693\r\n-88.8205,15.9295\r\n-88.8043,15.8761\r\n-88.8743,15.8805\r\n-88.9405,15.8887\r\n-89.0628,15.8925\r\n-89.1095,15.8722\r\n-89.1097,15.8976\r\n-89.0972,16.0861\r\n-89.077,16.3961\r\n-89.0376,16.9948\r\n-89.0358,17.3225\r\n-89.0342,17.6996\r\n-89.034,17.7992\r\n-89.034,17.7992\r\n20,-4.0,Dominican Republic\r\n-68.4903,18.0815\r\n-68.5067,18.0934\r\n-68.5372,18.1014\r\n-68.5568,18.1049\r\n-68.569,18.1035\r\n-68.5789,18.0995\r\n-68.6079,18.0911\r\n-68.6183,18.0919\r\n-68.6487,18.0998\r\n-68.6721,18.1096\r\n-68.6981,18.1497\r\n-68.7014,18.1594\r\n-68.6966,18.1773\r\n-68.5266,18.1444\r\n-68.5145,18.1411\r\n-68.5038,18.1338\r\n-68.4913,18.1094\r\n-68.4852,18.0877\r\n-68.4903,18.0815\r\n-68.4903,18.0815\r\n16,-6.0,Belize\r\n-87.8019,18.0013\r\n-87.8138,17.9506\r\n-87.8222,17.9315\r\n-87.8299,17.9187\r\n-87.8465,17.8946\r\n-87.8547,17.884\r\n-87.8668,17.8783\r\n-87.8843,17.8777\r\n-87.8993,17.8819\r\n-87.7946,18.1306\r\n-87.7498,18.1444\r\n-87.7409,18.1383\r\n-87.74,18.1207\r\n-87.7835,18.0259\r\n-87.8019,18.0013\r\n-87.8019,18.0013\r\n15,-4.0,Puerto 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and Caicos\r\n-71.4272,21.6615\r\n-71.4272,21.6556\r\n-71.4292,21.6503\r\n-71.433,21.6471\r\n-71.4357,21.6424\r\n-71.4377,21.6371\r\n-71.4404,21.6325\r\n-71.4424,21.6272\r\n-71.4415,21.6216\r\n-71.4398,21.6163\r\n-71.4389,21.6107\r\n-71.438,21.6052\r\n-71.4377,21.599\r\n-71.4398,21.5934\r\n-71.4448,21.5914\r\n-71.4498,21.5896\r\n-71.4556,21.5917\r\n-71.458,21.5958\r\n-71.4591,21.6016\r\n-71.4591,21.6078\r\n-71.4559,21.6116\r\n-71.453,21.616\r\n-71.4509,21.6216\r\n-71.4509,21.6286\r\n-71.4512,21.6342\r\n-71.4524,21.6398\r\n-71.4518,21.6465\r\n-71.4492,21.6509\r\n-71.4451,21.6545\r\n-71.4398,21.6559\r\n-71.4351,21.6583\r\n-71.4298,21.66\r\n-71.4272,21.6615\r\n-71.4272,21.6615\r\n14,-5.0,Turks and Caicos\r\n-71.5334,21.7542\r\n-71.5281,21.753\r\n-71.526,21.7495\r\n-71.5257,21.7439\r\n-71.5272,21.7392\r\n-71.5339,21.7389\r\n-71.5389,21.7398\r\n-71.5425,21.743\r\n-71.5457,21.7469\r\n-71.546,21.7501\r\n-71.5407,21.7518\r\n-71.5378,21.7545\r\n-71.5334,21.7542\r\n-71.5334,21.7542\r\n132,-5.0,Turks and Caicos\r\n-71.7777,21.8396\r\n-71.7716,21.8378\r\n-71.7669,21.8352\r\n-71.7616,21.8328\r\n-71.7569,21.8302\r\n-71.7519,21.8281\r\n-71.746,21.8261\r\n-71.7411,21.8234\r\n-71.7355,21.8217\r\n-71.7287,21.8205\r\n-71.7214,21.8199\r\n-71.7147,21.8199\r\n-71.7085,21.8211\r\n-71.7026,21.822\r\n-71.6968,21.8228\r\n-71.6897,21.8228\r\n-71.6824,21.8223\r\n-71.6765,21.8205\r\n-71.6706,21.8184\r\n-71.6645,21.8176\r\n-71.6577,21.8161\r\n-71.651,21.8149\r\n-71.6445,21.8149\r\n-71.6396,21.8176\r\n-71.6369,21.822\r\n-71.6316,21.8234\r\n-71.6249,21.8237\r\n-71.6184,21.8228\r\n-71.6117,21.8214\r\n-71.6061,21.8193\r\n-71.6002,21.8179\r\n-71.5953,21.8152\r\n-71.5911,21.8123\r\n-71.5876,21.8082\r\n-71.5862,21.8032\r\n-71.5841,21.7982\r\n-71.5821,21.7932\r\n-71.58,21.7891\r\n-71.5771,21.7847\r\n-71.5756,21.7797\r\n-71.5727,21.7753\r\n-71.5703,21.7712\r\n-71.5677,21.7665\r\n-71.5659,21.7615\r\n-71.5636,21.7571\r\n-71.5686,21.7568\r\n-71.5744,21.7589\r\n-71.5785,21.7618\r\n-71.5812,21.7662\r\n-71.5838,21.7709\r\n-71.5856,21.7759\r\n-71.5879,21.78\r\n-71.5914,21.7838\r\n-71.5947,21.7873\r\n-71.5958,21.7929\r\n-71.5973,21.7979\r\n-71.6008,21.802\r\n-71.6055,21.8008\r\n-71.6067,21.7961\r\n-71.6046,21.7912\r\n-71.6026,21.7868\r\n-71.6005,21.7815\r\n-71.5988,21.7768\r\n-71.597,21.7718\r\n-71.597,21.7656\r\n-71.5953,21.7606\r\n-71.5932,21.7554\r\n-71.5891,21.7524\r\n-71.585,21.7495\r\n-71.5809,21.7463\r\n-71.5774,21.7425\r\n-71.575,21.7384\r\n-71.573,21.7334\r\n-71.5735,21.7293\r\n-71.5788,21.7275\r\n-71.5835,21.7249\r\n-71.5888,21.7246\r\n-71.5929,21.7281\r\n-71.5964,21.7316\r\n-71.5988,21.736\r\n-71.6017,21.7401\r\n-71.6041,21.7448\r\n-71.6076,21.7486\r\n-71.6108,21.7521\r\n-71.6161,21.7533\r\n-71.619,21.7495\r\n-71.6219,21.7448\r\n-71.6243,21.7401\r\n-71.6287,21.7419\r\n-71.6305,21.7454\r\n-71.6319,21.7498\r\n-71.6343,21.7542\r\n-71.6369,21.7583\r\n-71.6381,21.7642\r\n-71.6396,21.7692\r\n-71.6431,21.7727\r\n-71.6489,21.7747\r\n-71.6548,21.7738\r\n-71.6616,21.7736\r\n-71.6683,21.7733\r\n-71.6742,21.7753\r\n-71.68,21.7771\r\n-71.6871,21.7777\r\n-71.6932,21.7768\r\n-71.6994,21.7759\r\n-71.705,21.7744\r\n-71.71,21.7727\r\n-71.7152,21.7712\r\n-71.7214,21.7703\r\n-71.727,21.7686\r\n-71.7323,21.7668\r\n-71.7369,21.7645\r\n-71.7411,21.7612\r\n-71.7463,21.7598\r\n-71.7531,21.7595\r\n-71.7575,21.7612\r\n-71.7598,21.7656\r\n-71.7625,21.77\r\n-71.7651,21.7744\r\n-71.7677,21.7785\r\n-71.771,21.7824\r\n-71.7727,21.7873\r\n-71.7739,21.7929\r\n-71.7739,21.7991\r\n-71.7727,21.8052\r\n-71.7739,21.8111\r\n-71.7754,21.8158\r\n-71.7777,21.8202\r\n-71.7804,21.8246\r\n-71.7804,21.8308\r\n-71.7777,21.8396\r\n-71.7777,21.8396\r\n116,-5.0,Turks and 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Islands\r\n-80.0415,19.647\r\n-80.04,19.6523\r\n-80.0368,19.6567\r\n-80.033,19.6599\r\n-80.0286,19.6626\r\n-80.0242,19.6652\r\n-80.0198,19.6679\r\n-80.0157,19.6711\r\n-80.0128,19.6752\r\n-80.0104,19.6799\r\n-80.0057,19.6825\r\n-79.9993,19.6831\r\n-79.9937,19.684\r\n-79.987,19.6846\r\n-79.9793,19.6843\r\n-79.9729,19.6849\r\n-79.9664,19.6855\r\n-79.9597,19.686\r\n-79.9547,19.6878\r\n-79.9488,19.689\r\n-79.9429,19.6902\r\n-79.9374,19.6922\r\n-79.9324,19.6943\r\n-79.9265,19.6951\r\n-79.9207,19.6963\r\n-79.9142,19.6969\r\n-79.9069,19.6966\r\n-79.9007,19.6951\r\n-79.8966,19.6922\r\n-79.8951,19.6881\r\n-79.8992,19.6846\r\n-79.9045,19.6828\r\n-79.9107,19.6837\r\n-79.9174,19.6846\r\n-79.9242,19.6855\r\n-79.9292,19.6837\r\n-79.9336,19.6811\r\n-79.938,19.6784\r\n-79.9432,19.6764\r\n-79.9485,19.6746\r\n-79.9529,19.672\r\n-79.9582,19.6699\r\n-79.9632,19.6681\r\n-79.9685,19.6661\r\n-79.9735,19.6643\r\n-79.9793,19.6629\r\n-79.9855,19.662\r\n-79.9914,19.6608\r\n-79.9952,19.6576\r\n-79.9993,19.6541\r\n-80.0037,19.6508\r\n-80.0072,19.6473\r\n-80.0116,19.645\r\n-80.0169,19.6429\r\n-80.0219,19.6412\r\n-80.0274,19.6391\r\n-80.0339,19.6385\r\n-80.0398,19.6403\r\n-80.0415,19.647\r\n-80.0415,19.647\r\n96,-4.0,Anguilla\r\n-63.0977,18.1495\r\n-63.0944,18.1518\r\n-63.0915,18.1562\r\n-63.0886,18.1609\r\n-63.0853,18.1644\r\n-63.0809,18.1673\r\n-63.0777,18.1712\r\n-63.0748,18.1756\r\n-63.0713,18.1791\r\n-63.0671,18.1823\r\n-63.0619,18.1835\r\n-63.056,18.1841\r\n-63.0504,18.1852\r\n-63.0446,18.1861\r\n-63.0399,18.1879\r\n-63.0346,18.1893\r\n-63.0305,18.1926\r\n-63.0264,18.1952\r\n-63.0217,18.1976\r\n-63.0164,18.1987\r\n-63.0123,18.2017\r\n-63.0088,18.2052\r\n-63.0055,18.209\r\n-63.0044,18.2158\r\n-63.0035,18.2213\r\n-63.0006,18.2257\r\n-62.997,18.2295\r\n-62.9935,18.2331\r\n-62.9903,18.2369\r\n-62.9874,18.2413\r\n-62.9832,18.2442\r\n-62.9786,18.2463\r\n-62.9733,18.2477\r\n-62.9677,18.2492\r\n-62.9633,18.251\r\n-62.9577,18.2524\r\n-62.9524,18.2539\r\n-62.9466,18.2545\r\n-62.9395,18.2536\r\n-62.9322,18.2524\r\n-62.9266,18.2515\r\n-62.9216,18.2539\r\n-62.9184,18.2574\r\n-62.9134,18.2598\r\n-62.9087,18.2615\r\n-62.9026,18.2615\r\n-62.8999,18.2571\r\n-62.8994,18.2512\r\n-62.9026,18.2468\r\n-62.9067,18.2442\r\n-62.9111,18.2419\r\n-62.9146,18.2383\r\n-62.914,18.2325\r\n-62.9143,18.2263\r\n-62.9167,18.2204\r\n-62.9193,18.216\r\n-62.9231,18.2122\r\n-62.9278,18.2102\r\n-62.9331,18.2087\r\n-62.9392,18.2084\r\n-62.9431,18.2052\r\n-62.9466,18.2017\r\n-62.951,18.1993\r\n-62.956,18.1976\r\n-62.9607,18.1952\r\n-62.9659,18.1938\r\n-62.9712,18.1926\r\n-62.9765,18.1914\r\n-62.9803,18.1876\r\n-62.985,18.1852\r\n-62.9903,18.1841\r\n-62.9956,18.1826\r\n-62.9994,18.1797\r\n-63.0041,18.1776\r\n-63.0073,18.1732\r\n-63.0105,18.1694\r\n-63.0155,18.1673\r\n-63.0199,18.1653\r\n-63.0246,18.1629\r\n-63.0287,18.1603\r\n-63.0319,18.1641\r\n-63.0352,18.1671\r\n-63.039,18.1706\r\n-63.0449,18.17\r\n-63.0493,18.1671\r\n-63.0534,18.1641\r\n-63.0572,18.1615\r\n-63.0613,18.1583\r\n-63.066,18.1562\r\n-63.0701,18.1533\r\n-63.0754,18.1518\r\n-63.0806,18.1506\r\n-63.0865,18.15\r\n-63.0915,18.1512\r\n-63.0977,18.1495\r\n-63.0977,18.1495\r\n62,-4.0,Nevis\r\n-62.5297,17.1823\r\n-62.5227,17.1811\r\n-62.5174,17.1826\r\n-62.5127,17.1846\r\n-62.506,17.1843\r\n-62.5007,17.1823\r\n-62.496,17.1793\r\n-62.4913,17.1767\r\n-62.4851,17.1752\r\n-62.4787,17.1749\r\n-62.4746,17.1717\r\n-62.4725,17.1673\r\n-62.4713,17.162\r\n-62.4705,17.1564\r\n-62.4699,17.1509\r\n-62.4693,17.1453\r\n-62.4681,17.14\r\n-62.4667,17.135\r\n-62.4652,17.13\r\n-62.4646,17.1245\r\n-62.464,17.1186\r\n-62.4643,17.1124\r\n-62.4652,17.1057\r\n-62.4672,17.0995\r\n-62.4687,17.0937\r\n-62.4713,17.089\r\n-62.4743,17.0846\r\n-62.4778,17.0811\r\n-62.4828,17.079\r\n-62.4884,17.0796\r\n-62.4936,17.0819\r\n-62.5001,17.0822\r\n-62.5054,17.0808\r\n-62.5104,17.0787\r\n-62.5151,17.0767\r\n-62.5212,17.0769\r\n-62.5271,17.0778\r\n-62.5332,17.079\r\n-62.5406,17.0802\r\n-62.5441,17.0837\r\n-62.547,17.0875\r\n-62.5497,17.0919\r\n-62.552,17.0963\r\n-62.5538,17.1007\r\n-62.5552,17.1057\r\n-62.5561,17.1116\r\n-62.5558,17.1177\r\n-62.5555,17.1242\r\n-62.5544,17.1309\r\n-62.5535,17.1362\r\n-62.552,17.1421\r\n-62.5503,17.1482\r\n-62.5479,17.1535\r\n-62.5459,17.1588\r\n-62.5435,17.1638\r\n-62.5415,17.1691\r\n-62.54,17.1761\r\n-62.54,17.1823\r\n-62.5371,17.1867\r\n-62.5315,17.1858\r\n-62.5297,17.1823\r\n-62.5297,17.1823\r\n151,-4.0,Antigua and 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and 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6,80.36\r\n19.853,80.3582\r\n19.7612,80.3528\r\n19.7323,80.3464\r\n19.7244,80.3416\r\n19.7307,80.3392\r\n19.7761,80.3446\r\n19.7927,80.3443\r\n19.8286,80.3396\r\n19.8621,80.3385\r\n19.8591,80.3345\r\n19.8415,80.3325\r\n19.8078,80.3368\r\n19.7818,80.3349\r\n19.749,80.3325\r\n19.7151,80.3264\r\n19.7257,80.3182\r\n19.7476,80.3131\r\n19.7761,80.3143\r\n19.8246,80.3056\r\n19.7964,80.304\r\n19.7936,80.3008\r\n19.7454,80.2934\r\n19.7486,80.2903\r\n19.7903,80.2825\r\n19.7952,80.2795\r\n19.7673,80.2669\r\n19.7515,80.2689\r\n19.7297,80.2662\r\n19.6885,80.2547\r\n19.6898,80.2463\r\n19.6908,80.2395\r\n19.7065,80.2337\r\n19.7239,80.2318\r\n19.812,80.2277\r\n19.8204,80.2257\r\n19.8168,80.2228\r\n19.78,80.2151\r\n19.7576,80.2134\r\n19.7439,80.2189\r\n19.6538,80.2188\r\n19.6184,80.2196\r\n19.5871,80.2223\r\n19.4569,80.2557\r\n19.4506,80.2573\r\n19.4027,80.2669\r\n19.3855,80.2754\r\n19.3791,80.2962\r\n19.368,80.301\r\n19.2325,80.3379\r\n19.0556,80.3504\r\n19.0523,80.3506\r\n19.0194,80.3488\r\n18.9986,80.3444\r\n18.9968,80.3322\r\n19.0186,80.3169\r\n19.0473,80.3062\r\n19.0561,80.2989\r\n19.0711,80.2965\r\n19.0562,80.2856\r\n19.0695,80.2603\r\n19.092,80.2461\r\n19.1224,80.2363\r\n19.1416,80.23\r\n19.172,80.2129\r\n19.1781,80.1985\r\n19.1891,80.1937\r\n19.2218,80.1871\r\n19.2566,80.1827\r\n19.2815,80.1758\r\n19.3112,80.1718\r\n19.3333,80.1709\r\n19.3741,80.1727\r\n19.4448,80.1653\r\n19.4955,80.1646\r\n19.565,80.1539\r\n19.5837,80.151\r\n19.5911,80.1459\r\n19.5756,80.1439\r\n19.4424,80.1485\r\n19.3632,80.1564\r\n19.3425,80.1534\r\n19.3537,80.1481\r\n19.3838,80.1469\r\n19.3906,80.1409\r\n19.4022,80.1397\r\n19.4229,80.1427\r\n19.4433,80.1417\r\n19.4395,80.1373\r\n19.3846,80.1309\r\n19.375,80.1264\r\n19.3722,80.1178\r\n19.3828,80.1162\r\n19.4104,80.1178\r\n19.4214,80.1164\r\n19.4216,80.1146\r\n19.4217,80.1133\r\n19.3534,80.1011\r\n19.2845,80.0919\r\n19.2601,80.0838\r\n19.2489,80.0837\r\n19.2368,80.0939\r\n19.1329,80.1227\r\n19.0979,80.1374\r\n19.0852,80.1395\r\n19.0628,80.1389\r\n19.048,80.1405\r\n19.0115,80.1491\r\n18.9801,80.1566\r\n18.9525,80.167\r\n18.9153,80.1755\r\n18.9136,80.1815\r\n18.937,80.1892\r\n18.8619,80.1899\r\n18.8434,80.1966\r\n18.7228,80.2054\r\n18.7124,80.2031\r\n18.7165,80.1983\r\n18.7342,80.1945\r\n18.7673,80.192\r\n18.7754,80.1891\r\n18.7729,80.1859\r\n18.7441,80.185\r\n18.729,80.1818\r\n18.7288,80.1795\r\n18.7283,80.172\r\n18.7058,80.1632\r\n18.6858,80.161\r\n18.6581,80.1613\r\n18.6411,80.164\r\n18.6345,80.169\r\n18.5751,80.173\r\n18.5524,80.1874\r\n18.526,80.1842\r\n18.4922,80.1835\r\n18.4658,80.1858\r\n18.4344,80.1933\r\n18.3425,80.1884\r\n18.3249,80.1846\r\n18.2696,80.1831\r\n18.2232,80.1835\r\n18.155,80.1843\r\n18.1134,80.1874\r\n18.0955,80.1841\r\n18.0781,80.1734\r\n18.0612,80.1713\r\n18.0427,80.1726\r\n18.0613,80.1825\r\n18.0483,80.1831\r\n18.0139,80.1778\r\n17.9587,80.1777\r\n17.9468,80.1745\r\n17.9422,80.1616\r\n17.9206,80.1585\r\n17.898,80.1634\r\n17.846,80.1669\r\n17.8287,80.166\r\n17.7922,80.1551\r\n17.7539,80.1437\r\n17.7005,80.1357\r\n17.6993,80.1306\r\n17.6992,80.1301\r\n17.6992,80.1301\r\n65,1.0,Norway\r\n18.7671,74.4844\r\n18.7716,74.4809\r\n18.7883,74.4819\r\n18.7894,74.4724\r\n18.8104,74.4705\r\n18.808,74.4611\r\n18.84,74.4503\r\n18.8396,74.4472\r\n18.8363,74.4393\r\n18.8601,74.4332\r\n18.8916,74.421\r\n18.8913,74.416\r\n18.9172,74.4083\r\n18.9331,74.4089\r\n18.9608,74.3918\r\n18.9798,74.3936\r\n18.995,74.3843\r\n19.0415,74.369\r\n19.0353,74.3636\r\n19.0573,74.3574\r\n19.0621,74.3491\r\n19.0866,74.3457\r\n19.0931,74.3497\r\n19.1226,74.3498\r\n19.1185,74.3559\r\n19.1271,74.3615\r\n19.1737,74.3645\r\n19.168,74.3701\r\n19.1901,74.3808\r\n19.1942,74.3893\r\n19.2072,74.3961\r\n19.2114,74.3983\r\n19.2093,74.4062\r\n19.2077,74.4121\r\n19.239,74.4189\r\n19.2633,74.4298\r\n19.2937,74.4603\r\n19.2831,74.4651\r\n19.2934,74.468\r\n19.2808,74.4774\r\n19.2106,74.4952\r\n19.1951,74.499\r\n19.1813,74.5093\r\n19.1819,74.5136\r\n19.1718,74.5163\r\n19.1571,74.5168\r\n19.144,74.5243\r\n19.1054,74.5234\r\n19.0957,74.5232\r\n19.0732,74.5179\r\n19.0178,74.5208\r\n19.0147,74.5166\r\n18.9867,74.5161\r\n18.9731,74.5158\r\n18.9629,74.5217\r\n18.9412,74.514\r\n18.925,74.511\r\n18.8669,74.5111\r\n18.8537,74.5125\r\n18.8486,74.5094\r\n18.8301,74.5087\r\n18.8085,74.5036\r\n18.7802,74.4863\r\n18.7671,74.4844\r\n18.7671,74.4844\r\n" }, { "path": "POST/writesite/outputs/O3.csv", "content": "Data read from file:/proj/ie/apps/CMAQ/CMAQ_v5.2Beta_UNC_Testing/data/cctm/combine/CCTM_v52b_Linux2_x86_64pgi_COMBINE_ACONC.CMAQ52-BENCHMARK_201107 (layer 1)\n\n Note: All Times are in GMT\n\n\nsiteid,column,row,longitude,latitude,date,Time,O3\n,,,degrees,degrees,YYYY-MM-DD,hh:mm:ss,ppbV\nlos_angele,37,31,-118.24000,34.05000,2011-07-01,00:00:00,51.9119\nlos_angele,37,31,-118.24000,34.05000,2011-07-01,01:00:00,47.5323\nlos_angele,37,31,-118.24000,34.05000,2011-07-01,02:00:00,38.9272\nlos_angele,37,31,-118.24000,34.05000,2011-07-01,03:00:00,28.2640\nlos_angele,37,31,-118.24000,34.05000,2011-07-01,04:00:00,16.3866\nlos_angele,37,31,-118.24000,34.05000,2011-07-01,05:00:00,3.44505\nlos_angele,37,31,-118.24000,34.05000,2011-07-01,06:00:00,0.510382\nlos_angele,37,31,-118.24000,34.05000,2011-07-01,07:00:00,0.430275\nlos_angele,37,31,-118.24000,34.05000,2011-07-01,08:00:00,0.587782\nlos_angele,37,31,-118.24000,34.05000,2011-07-01,09:00:00,0.755119\nlos_angele,37,31,-118.24000,34.05000,2011-07-01,10:00:00,0.384662\nlos_angele,37,31,-118.24000,34.05000,2011-07-01,11:00:00,0.643682E-01\nlos_angele,37,31,-118.24000,34.05000,2011-07-01,12:00:00,0.147264E-01\nlos_angele,37,31,-118.24000,34.05000,2011-07-01,13:00:00,1.47907\nlos_angele,37,31,-118.24000,34.05000,2011-07-01,14:00:00,7.31918\nlos_angele,37,31,-118.24000,34.05000,2011-07-01,15:00:00,14.2494\nlos_angele,37,31,-118.24000,34.05000,2011-07-01,16:00:00,19.7030\nlos_angele,37,31,-118.24000,34.05000,2011-07-01,17:00:00,24.7163\nlos_angele,37,31,-118.24000,34.05000,2011-07-01,18:00:00,32.1027\nlos_angele,37,31,-118.24000,34.05000,2011-07-01,19:00:00,47.5530\nlos_angele,37,31,-118.24000,34.05000,2011-07-01,20:00:00,67.9642\nlos_angele,37,31,-118.24000,34.05000,2011-07-01,21:00:00,80.0136\nlos_angele,37,31,-118.24000,34.05000,2011-07-01,22:00:00,83.7430\nlos_angele,37,31,-118.24000,34.05000,2011-07-01,23:00:00,74.8174\n" }, { "path": "POST/writesite/scripts/bldit_writesite.csh", "content": "#! /bin/csh -f\n\n# ==================== WRITESITEv5.5.X Build Script ================= #\n# Usage: bldit_writesite.csh >&! bldit_writesite.log #\n# Requirements: I/O API & netCDF libraries; a Fortran compiler #\n# #\n# To report problems or request help with this script/program: #\n# http://www.cmascenter.org #\n# =================================================================== #\n\n# =======================================================================\n#> Preliminary error checking and environment configuration\n# =======================================================================\n\n#> Check that the host system is Linux-based\n set BLD_OS = `uname -s` \n if ($BLD_OS != 'Linux') then\n echo \" $BLD_OS -> wrong bldit script for host!\"\n exit 1\n endif\n\n#> Set Compiler Identity by User Input: Options -> intel | pgi | gcc\n if ( $#argv == 1 ) then\n setenv compiler $argv[1]\n setenv compilerVrsn Empty\n else if ( $#argv == 2 ) then\n #> Compiler Name and Version have been provided\n setenv compiler $1\n setenv compilerVrsn $2\n else\n echo \"usage: $0 \"\n echo \" where is intel, pgi or gcc\"\n exit(2)\n endif\n\n#> Source the config.cmaq file to set the build environment\n cd ../../..\n source ./config_cmaq.csh\n\n#> Source Code Repository\n setenv REPOROOT ${CMAQ_REPO}/POST/writesite #> location of the source code for WRITESITE\n\n#===============================================================================\n#> Begin User Input Section \n#===============================================================================\n\n#> User choices: working directory and application ID\n set VRSN = v55 #> model version\n set EXEC = writesite_${VRSN}.exe #> executable name for this application\n set CFG = writesite_${VRSN}.cfg #> BLDMAKE configuration file name\n setenv BLDER ${CMAQ_HOME}/UTIL/bldmake/bldmake_${compilerString}.exe #> location of makefile builder executable \n\n#> user choice: copy source files\n set CopySrc #> copy the source files into the BLD directory\n\n #set MakeFileOnly # builds a Makefile to make the model, but does not compile -\n # comment out to also compile the model (default if not set)\n\n# set CompileBLDMAKE #> Recompile the BLDMAKE utility from source\n #> comment out to use an existing BLDMAKE executable\n set ModDriver = src #> WRITESITE Modules\n\n\n#============================================================================================\n#> Computing System Configuration:\n#> Most of these settings are done in config.cmaq\n#============================================================================================\n\n#> Set full path of Fortran 90 compiler\n setenv FC ${myFC}\n set FP = $FC\n\n#> Set IO/API version\n set IOAPI = ioapi_3.1\n\n#> Set compiler flags\n set FSTD = \"${myFSTD}\"\n set DBG = \"${myDBG}\"\n setenv F_FLAGS \"${myFFLAGS}\"\n set F90_FLAGS = \"${myFRFLAGS}\"\n set CPP_FLAGS = \"\" #> Fortran Preprocessor Flags\n set LINK_FLAGS = \"${myLINK_FLAG}\" #> Link Flags\n\n set LIB2 = \"${ioapi_lib}\"\n\n\n#============================================================================================\n#> Set up the writesite build directory under the Tools directory\n#> for checking out and compiling source code\n#============================================================================================\n set Bld = ${CMAQ_HOME}/POST/writesite/scripts/BLD_writesite_${VRSN}_${compilerString}\n\n if ( ! -e \"$Bld\" ) then\n mkdir -pv $Bld\n else\n if ( ! -d \"$Bld\" ) then\n echo \" *** target exists, but not a directory ***\"\n exit 1\n endif\n endif\n\n cd $Bld\n\n#> Check for previous run\n if ( -e \"$Bld/${CFG}\" ) then\n echo \" >>> previous ${CFG} exists, re-naming to ${CFG}.old <<<\"\n mv $Bld/${CFG} $Bld/${CFG}.old\n endif\n\n#============================================================================================\n#> Make the config file\n#============================================================================================\n set Cfile = ${Bld}/$CFG\n set quote = '\"'\n\n echo > $Cfile\n echo \"model $EXEC;\" >> $Cfile\n echo >> $Cfile\n echo \"repo $REPOROOT;\" >> $Cfile\n echo >> $Cfile\n echo \"lib_base ${CMAQ_LIB};\" >> $Cfile\n echo >> $Cfile\n echo \"lib_1 ioapi/lib;\" >> $Cfile\n echo >> $Cfile\n echo \"lib_2 ioapi/include_files;\" >> $Cfile\n echo >> $Cfile\n echo \"lib_3 netcdf/include;\" >> $Cfile\n echo >> $Cfile\n echo \"lib_4 ioapi/lib;\" >> $Cfile\n echo >> $Cfile\n echo \"lib_5 netcdff/include;\" >> $Cfile\n echo >> $Cfile\n set text = \"$quote$CPP_FLAGS$quote;\"\n echo \"cpp_flags $text\" >> $Cfile\n echo >> $Cfile\n echo \"f_compiler $FC;\" >> $Cfile\n echo >> $Cfile\n echo \"fstd $quote$FSTD$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"dbg $quote$DBG$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"f_flags $quote$F_FLAGS$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"f90_flags $quote$F90_FLAGS$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"link_flags $quote$LINK_FLAGS$quote;\" >> $Cfile\n echo >> $Cfile\n#echo \"libraries $quote$LIBS$quote;\" >> $Cfile\n echo \"ioapi $quote$LIB2$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"netcdf $quote$netcdf_lib$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"netcdff $quote$netcdff_lib$quote;\" >> $Cfile\n\n set text = \"writesite\"\n echo \"// options are\" $text >> $Cfile\n echo \"Module ${ModDriver};\" >> $Cfile\n echo >> $Cfile\n\n#============================================================================================\n#> Use BLDMAKE to create the Makefile and model executable if desired\n#============================================================================================\n\n unalias mv rm\n\n#> Recompile BLDMAKE from source if requested or if it does not exist\n if ( $?CompileBLDMAKE || ! -f $BLDER ) then\n cd ${CMAQ_REPO}/UTIL/bldmake/scripts\n ./bldit_bldmake.csh\n endif\n \n#> Relocate to the BLD_* directory\n cd $Bld \n\n#> Set serial options for BLDMAKE execution\n set Blder = \"$BLDER -serial -verbose\"\n\n#> Run BLDMAKE Utility\n if ( $?MakeFileOnly ) then\n #> Just create the Makefile\n if ( $?CopySrc ) then\n $Blder -makefo $Cfile\n else\n $Blder -makefo -git_local $Cfile \n endif\n else \n # Also compile the model\n if ( $?CopySrc ) then\n $Blder $Cfile\n else\n $Blder -git_local $Cfile\n endif\n endif\n\n#> Save Makefile with Compiler-dependent name and create symbolic\n#> link back to generic name.\n mv Makefile Makefile.$compilerString\n if ( -e Makefile.$compilerString && -e Makefile ) rm Makefile\n ln -s Makefile.$compilerString Makefile\n\n#> Check for error during makefile generation\n if ( $status != 0 ) then\n echo \" *** failure in $Blder ***\"\n exit 1\n endif\n\n exit\n" }, { "path": "POST/writesite/scripts/run_writesite.csh", "content": "#! /bin/csh -f\n\n# ==================== WRITESITE_v5.5.X Run Script ====================\n# Usage: run_writesite.csh >&! writesite.log &\n#\n# To report problems or request help with this script/program:\n# http://www.epa.gov/cmaq (EPA CMAQ Website)\n# http://www.cmascenter.org\n# ===================================================================\n\n# ==================================================================\n#> Runtime Environment Options\n# ==================================================================\n\n#> Choose compiler and set up CMAQ environment with correct \n#> libraries using config.cmaq. Options: intel | gcc | pgi\n setenv compiler intel \n\n cd ../../..\n source ./config_cmaq.csh\n\n#> Set General Parameters for Configuring the Simulation\n set VRSN = v55 #> Code Version\n set PROC = mpi #> serial or mpi\n set MECH = cb6r3_ae7_aq #> Mechanism ID\n set APPL = Bench_2016_12SE1 #> Application Name (e.g. Gridname)\n \n#> Define RUNID as any combination of parameters above or others. By default,\n#> this information will be collected into this one string, $RUNID, for easy\n#> referencing in output binaries and log files as well as in other scripts.\n set RUNID = ${VRSN}_${compilerString}_${APPL}\n\n#> Set the build directory if this was not set above \n#> (this is where the executable is located by default).\n if ( ! $?BINDIR ) then\n set BINDIR = ${CMAQ_HOME}/POST/writesite/scripts/BLD_writesite_${VRSN}_${compilerString}\n endif\n\n#> Set the name of the executable.\n set EXEC = writesite_${VRSN}.exe\n\n#> Set location of CMAQ repo. This will be used to point to the optional time zone file\n#> used by writesite. \n set REPO_HOME = ${CMAQ_REPO}\n\n#> Set output directory\n set POSTDIR = ${CMAQ_DATA}/POST #> Location where writesite file will be written\n\n if ( ! -e $POSTDIR ) then\n\t mkdir $POSTDIR\n endif\n\n# =====================================================================\n#> WRITESITE Configuration Options\n# =====================================================================\n\n#> Projection sphere type used by I/OAPI (use type #20 to match WRF/CMAQ)\n setenv IOAPI_ISPH 20\n\n#> name of input file containing sites to process (default is all cells)\n setenv SITE_FILE ALL\n#> Sample SITE_FILE text file is available in the v5.2.1 repo.\n#setenv SITE_FILE ${REPO_HOME}/POST/writesite/inputs/sites.txt\n\n#> delimiter used in site file (default is )\n setenv DELIMITER ','\n\n#> site file contains column/row values (default is N, meaning lon/lat values will be used)\n setenv USECOLROW N\n\n#> location of time zone data file, tz.csv (this is a required input file)\n#> The tz.csv file is saved within the bldoverlay folder of the v5.2.1 repo which also uses this input.\n setenv TZFILE ${REPO_HOME}/POST/bldoverlay/inputs/tz.csv\n\n#> grid layer to output (default is 1)\n setenv LAYER 1\n\n#> adjust to local standard time (default is N)\n setenv USELOCAL N\n\n#> shifts time of data (default is 0)\n#setenv TIME_SHIFT 1\n\n#> output header records (default is Yes)\n setenv PRTHEAD Y\n\n#> output map projection coordinates x and y (default is Yes)\n setenv PRT_XY N \n\n#> define time window\n set START_DATE = \"2016-07-01\" #> first date to process (default is starting date of input file)\n set END_DATE = \"2016-07-01\" #> last date to process (default is ending date of input file)\n\n#> Convert START_DATE and END_DATE to Julian day.\n#> (required format for writesite STARTDATE and ENDDATE environment variables)\n setenv STARTDATE `date -ud \"${START_DATE}\" +%Y%j`\n setenv ENDDATE `date -ud \"${END_DATE}\" +%Y%j`\n\n#> list of species to output\n setenv SPECIES_1 O3\n\n#> set input and output files\n setenv INFILE ${CMAQ_DATA}/POST/COMBINE_ACONC_${RUNID}_201607.nc\n #[Add location of input file, e.g. COMBINE_ACONC file.]\n setenv OUTFILE ${POSTDIR}/O3_${RUNID}.csv\n\n#> Executable call:\n ${BINDIR}/${EXEC}\n\n set progstat = ${status}\n if ( ${progstat} ) then\n echo \"ERROR ${progstat} in $BINDIR/$EXEC\"\n exit( ${progstat} )\n endif\n\n date\n exit()\n\n\n\n" }, { "path": "POST/writesite/src/getTZ.F", "content": "!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC\nC function to compute time zone offset from lat/lon \nC\nC The routine requires file \"tz.csv\" for timezone data\nC \nCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC\n Integer Function getTZ(longitude, latitude) result(tzoffset)\n\n Implicit None\n\n ! defined type for line curve\n TYPE LINE\n Integer npts\n Character*(20) name\n Real offset\n Real xmin, xmax, ymin, ymax\n Real, Pointer :: x(:) \n Real, Pointer :: y(:)\n End TYPE LINE \n\n ! defined type for array points used for different size arrays\n TYPE POINTS\n Real, Pointer :: x(:,:)\n Real, Pointer :: y(:,:)\n End TYPE POINTS\n\n\n ! arguments\n Real latitude, longitude\n\n ! function\n Real getValue\n Logical inArea\n\n ! default Timezone data file\n Character*(256), Parameter :: defaultTZ = '/home/shq/src/writesite/tz.csv' \n\n ! saved variables\n Logical, save :: firstime=.true.\n Integer, save :: nlines\n TYPE (LINE),allocatable,save :: lines(:)\n TYPE (POINTS),allocatable,save :: pts(:) !pointer used for differsize arrays\n\n ! create different size arrays for storing line points\n Real,target,allocatable,save :: lon1(:,:)\n Real,target,allocatable,save :: lat1(:,:)\n\n Real,target,allocatable,save :: lon2(:,:)\n Real,target,allocatable,save :: lat2(:,:)\n\n Real,target,allocatable,save :: lon3(:,:)\n Real,target,allocatable,save :: lat3(:,:)\n\n Real,target,allocatable,save :: lon4(:,:)\n Real,target,allocatable,save :: lat4(:,:)\n\n Real,target,allocatable,save :: lon5(:,:)\n Real,target,allocatable,save :: lat5(:,:)\n\n Real,target,allocatable,save :: lon6(:,:)\n Real,target,allocatable,save :: lat6(:,:)\n\n Real,target,allocatable,save :: lon7(:,:)\n Real,target,allocatable,save :: lat7(:,:)\n\n Real,target,allocatable,save :: lon8(:,:)\n Real,target,allocatable,save :: lat8(:,:)\n\n Real,target,allocatable,save :: lon9(:,:)\n Real,target,allocatable,save :: lat9(:,:)\n\n\n ! local variables\n Character*(256) tzfile\n Character*(120) record\n Character*(32) field\n Integer npts\n Integer i, j, status\n Real lat(15000), lon(15000), long \n Integer count(9), sizes(9)\n Integer nx, nfound, nsort\n Real xsec(500), ysec(500), temp\n\n Integer :: lfn=15\n\n Data sizes/50,100,200,500,1000,2000,5000,10000,15000/\n\n if( firstime ) then\n\n firstime = .false.\n\n ! get tz file name\n CALL ENVSTR('TZFILE','Time zone data file',defaultTZ,tzFile,status)\n\n ! open tz boundary file\n open(unit=lfn,file=tzFile,status='OLD',iostat=status)\n if(status.ne.0) then\n write(*,'(//''**ERROR** Cannot open time zone data file:'',a,//)') TRIM(tzFile)\n Stop\n endif\n\n count = 0\n nlines = 0\n \n ! read tz data file and count number of lines needed\n do \n read(lfn,'(a)',iostat=status) record\n if(status.ne.0) exit\n\n Call getField( record, ',', 1, field ) \n read(field,'(i16)') npts \n \n nlines = nlines+1\n\n ! update count\n do i=1,SIZE(count)\n if(npts.le.sizes(i)) then\n count(i) = count(i) + 1\n EXIT\n endif \n enddo\n\n ! read point records\n do i=1,npts\n read(lfn,'(a)',iostat=status) record\n if(status.ne.0) then\n write(*,'(''Read error on record:'',a)') trim(record)\n stop\n endif \n enddo\n enddo\n rewind(lfn)\n\n ! allocate lines and pointers\n Allocate( lines(nlines) )\n Allocate( pts(SIZE(count)) )\n\n ! asign pointers to size arrays\n pts(1)%x => lon1\n pts(1)%y => lat1\n pts(2)%x => lon2\n pts(2)%y => lat2\n pts(3)%x => lon3\n pts(3)%y => lat3\n pts(4)%x => lon4\n pts(4)%y => lat4\n pts(5)%x => lon5\n pts(5)%y => lat5\n pts(6)%x => lon6\n pts(6)%y => lat6\n pts(7)%x => lon7\n pts(7)%y => lat7\n pts(8)%x => lon8\n pts(8)%y => lat8\n pts(9)%x => lon9\n pts(9)%y => lat9\n\n ! allocate point arrays for each size using pointers\n do i=1,SIZE(count)\n Allocate( pts(i)%x(sizes(i),count(i)) )\n Allocate( pts(i)%y(sizes(i),count(i)) )\n enddo\n\n ! read each line and set pointers\n nlines = 0 \n count = 0\n do \n read(lfn,'(a)',iostat=status) record\n if(status.ne.0) exit\n nlines = nlines+1\n\n Call getField( record, ',', 1, field ) \n read(field,'(i16)') lines(nlines)%npts \n Call getField( record, ',', 2, field ) \n read(field,'(f16.0)') lines(nlines)%offset \n Call getField( record, ',', 3, field ) \n lines(nlines)%name = field\n \n ! read points into lat and lon arrays \n do i=1,lines(nlines)%npts\n read(lfn,'(a)',iostat=status) record\n if(status.ne.0) then\n write(*,'(''Read error on record:'',a)') trim(record)\n stop\n endif \n Call getField( record, ',', 1, field ) \n read(field,'(f32.0)') lon(i)\n Call getField( record, ',', 2, field ) \n read(field,'(f32.0)') lat(i)\n enddo\n\n ! compute min and max for each line\n lines(nlines)%xmin = lon(1)\n lines(nlines)%xmax = lon(1) \n lines(nlines)%ymin = lat(1)\n lines(nlines)%ymax = lat(1) \n do i=1,lines(nlines)%npts\n if(lon(i) .lt. lines(nlines)%xmin) lines(nlines)%xmin = lon(i)\n if(lon(i) .gt. lines(nlines)%xmax) lines(nlines)%xmax = lon(i)\n if(lat(i) .lt. lines(nlines)%ymin) lines(nlines)%ymin = lat(i)\n if(lat(i) .gt. lines(nlines)%ymax) lines(nlines)%ymax = lat(i)\n enddo\n\n ! copy arrays to correct size array using pointers\n do i=1,SIZE(count)\n if(lines(nlines)%npts.le.sizes(i)) then\n count(i) = count(i) + 1\n pts(i)%x(:,count(i)) = lon(1:lines(nlines)%npts)\n pts(i)%y(:,count(i)) = lat(1:lines(nlines)%npts)\n lines(nlines)%x => pts(i)%x(:,count(i))\n lines(nlines)%y => pts(i)%y(:,count(i))\n EXIT\n endif\n enddo\n\n enddo\n close(lfn)\n endif ! firstime\n \n\n ! find all intersecting points at longitude\n nx = 0\n do i = 1, nlines\n if(lines(i)%xmin.le.longitude .and. longitude.le.lines(i)%xmax) then\n Call getValues(longitude, lines(i)%npts, lines(i)%x, lines(i)%y, nfound, lat) \n\n ! check if point lies in line area\n if( nfound.ge.2 .and. lines(i)%ymin.le.latitude .and. latitude.le.lines(i)%ymax ) then\n if( inArea( latitude, nfound, lat) ) then\n !write(*,'(''point lies in area'',i5)') i\n tzoffset = -lines(i)%offset\n return \n endif\n endif\n\n ! add lat values to array\n do j=1,nfound\n nx = nx+1\n xsec(nx) = lat(j) \n ysec(nx) = lines(i)%offset\n enddo \n endif\n enddo \n\n ! if more than 1 intersecting point found, sort them\n if( nx.gt.1 ) then\n nsort = nx\n do\n nfound=0\n nsort = nsort-1\n do i=1,nsort\n if( xsec(i).gt.xsec(i+1) ) then\n temp = xsec(i)\n xsec(i) = xsec(i+1)\n xsec(i+1) = temp\n temp = ysec(i)\n ysec(i) = ysec(i+1)\n ysec(i+1) = temp\n nfound=1\n endif\n enddo\n if(nfound.eq.0) EXIT\n enddo \n\n ! find offset for latitude\n do i=1,nx-1\n if(latitude.ge.xsec(i) .and. latitude.le.xsec(i+1)) then \n if( ysec(i).eq.ysec(i+1) .and. xsec(i+1)-xsec(i).lt.4.0 ) then\n tzoffset = -ysec(i)\n !write(*,'(''point lies between areas'')')\n return\n endif\n endif\n enddo \n\n endif\n \n ! compute tzoffset from longitude\n long = abs(longitude)\n tzoffset = (long+7.5) / 15\n if(longitude.gt.0) tzoffset = -tzoffset\n !write(*,'(''offset computed by longitude'')')\n return\n end Function getTZ \n \n\nCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC\nC Subroutine to get intersecting values from array\nCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC\n Subroutine getValues(xx, npts, x, y, nfound, yy)\n \n Implicit None\n \n ! arguments\n Real xx\n Integer npts\n Real x(*)\n Real y(*)\n Integer nfound\n Real yy(*)\n\n Real slope\n Integer i\n nfound = 0\n\n do i=1,npts-1\n\n if( (xx.ge.x(i) .and. xx.lt.x(i+1)) .or.\n & (xx.le.x(i) .and. xx.gt.x(i+1)) ) then \n nfound = nfound+1\n slope = 1.0\n if( x(i).ne.x(i+1) ) slope = (y(i)-y(i+1)) / (x(i)-x(i+1))\n yy(nfound) = y(i) + slope * (xx - x(i))\n \n endif\n enddo\n\n return\n end Subroutine getValues\n\nCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC\nC function to get value from array table\nCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC\n Real Function getValue(xx, npts, x, y) result(yy)\n \n Implicit None\n \n Real xx\n Integer npts\n Real x(*)\n Real y(*)\n\n Real slope\n\n Integer i\n\n do i=1,npts-1\n\n if( (xx.ge.x(i) .and. xx.lt.x(i+1)) .or.\n & (xx.le.x(i) .and. xx.gt.x(i+1)) ) then \n\n slope = 1.0\n if( x(i).ne.x(i+1) ) slope = (y(i)-y(i+1)) / (x(i)-x(i+1))\n yy = y(i) + slope * (xx - x(i))\n return\n endif\n enddo\n\n yy = 0.0\n return\n end Function getValue\n \n\nCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC\nC function to check if latitude is in line area\nCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC\n Logical Function inArea( x, nval, values) result(result)\n \n Implicit None\n \n ! arguments\n Real x\n Integer nval\n Real values(*)\n\n ! local variables\n Real nsort\n Integer i\n logical sorted\n Real temp\n\n result = .false.\n \n ! sort the values\n nsort = nval\n do\n sorted = .true.\n nsort = nsort-1\n do i=1,nsort\n if( values(i).gt.values(i+1) ) then\n temp = values(i)\n values(i) = values(i+1)\n values(i+1) = temp\n sorted=.false.\n endif\n enddo\n if(sorted) EXIT\n enddo \n\n ! check if x is between values\n do i=1,nval-1,2\n if( x.ge.values(i) .and. x.le.values(i+1) ) result = .true.\n enddo\n\n return\n end Function inArea\n" }, { "path": "POST/writesite/src/module_site.F", "content": "!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC***********************************************************************\nC\nC MODULE: site ids and location \nC \nC***********************************************************************\n MODULE SITES \n\n Logical ALLCELLS\n Integer nsites\n Character*(10) siteid(2000)\n Real longitude(2000)\n Real latitude(2000)\n Integer siteCol(2000)\n Integer siteRow(2000)\n\n contains\n\nC subroutine to open site file and load arrays \n Subroutine loadSites()\n\n USE M3UTILIO\n\n IMPLICIT NONE\n\n ! functions\n Integer getNumberOfFields\n\n ! local variables\n Integer status\n Integer lfn\n Integer nflds\n Character*(512) sitefile\n Character*(512) record \n Character*(16) field \n Character*(1) delimiter\n Logical useColRow\n Real value\n Real x, y \n\n lfn = 20\n ALLCELLS = .false.\n\n CALL ENVSTR( 'SITE_FILE', 'Name of site definition file', 'ALL', sitefile, status)\n if( sitefile.eq.'ALL') then\n ALLCELLS = .true.\n return\n endif\n\n CALL ENVSTR( 'DELIMITER', 'Delimiter character in site file', char(9), delimiter, status)\n\n useColRow = ENVYN( 'USECOLROW', 'Column/row in site file', .false., status)\n\n OPEN(unit=lfn, file=sitefile, status='old', iostat=status)\n IF( status .ne. 0 ) then\n write(*,'(''**ERROR** Cannot open SITE_FILE:'',a)') TRIM(sitefile)\n Stop\n endif\n\n ! read until site record found\n do\n read(lfn,'(a)',iostat=status) record\n if(status.ne.0) then\n write(*,'(''**ERROR** Cannot find site records in SITE_FILE:'',a)') TRIM(sitefile) \n Stop \n endif \n\n nflds = getNumberOfFields( record, delimiter ) \n if( nflds.lt.3 ) CYCLE\n\n Call getField( record, delimiter, 2, field ) \n read(field,'(f16.0)',iostat=status) value\n if( status.ne.0 ) CYCLE\n \n Call getField( record, delimiter, 3, field ) \n read(field,'(f16.0)',iostat=status) value\n if( status.ne.0 ) CYCLE\n\n !! site record found, backspace and exit loop \n Backspace(lfn)\n EXIT \n\n enddo\n\n ! read and load sites\n nsites = 0\n do \n read(lfn,'(a)',iostat=status) record \n if(status.ne.0) EXIT \n\n nflds = getNumberOfFields( record, delimiter ) \n if( nflds.lt.3 ) EXIT\n\n nsites = nsites + 1\n if( nsites.gt.SIZE(siteid) ) then\n write(*,'(''**ERROR** The number of sites exceed maximum'')')\n Stop \n endif\n\n Call getField( record, delimiter, 1, siteid(nsites) ) \n\n if( useColRow ) then ! read col/row and compute lon/lat\n\n Call getField( record, delimiter, 2, field ) \n read(field,'(i16)') siteCol(nsites)\n\n Call getField( record, delimiter, 3, field ) \n read(field,'(i16)') siteRow(nsites)\n\n ! compute longitude and latitude for site\n x = XORIG3D + (siteCol(nsites)-0.5) * XCELL3D\n y = YORIG3D + (siteRow(nsites)-0.5) * YCELL3D\n\n Call toLL( GDTYP3D, x, y, longitude(nsites), latitude(nsites) )\n\n else ! read lon/lat and compute col/row\n\n Call getField( record, delimiter, 2, field ) \n read(field,'(f16.0)') longitude(nsites)\n \n Call getField( record, delimiter, 3, field ) \n read(field,'(f16.0)') latitude(nsites)\n\n ! compute row and column for site\n Call toProj( GDTYP3D, longitude(nsites), latitude(nsites), x, y )\n\n siteCol(nsites) = INT( (x-XORIG3D)/XCELL3D ) + 1\n siteRow(nsites) = INT( (y-YORIG3D)/YCELL3D ) + 1\n endif\n\n enddo\n\n write(*,'(i5,'' sites loaded'')') nsites\n close(unit=lfn)\n\n return\n end Subroutine loadSites\n\n END MODULE SITES \n" }, { "path": "POST/writesite/src/module_spec.F", "content": "!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC*************************************************************************\nC\nC MODULE: defines a set of species variables\nC\nC*************************************************************************\n MODULE SPECIES\n\n Character*(16) :: SPECVARS(2048)\n INTEGER NSPECVAR\n \n CONTAINS\n \n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC ROUTINE TO GET SPECIES DEFINITIONS FROM ENVIRONMENT VARIABLES\nCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC\n SUBROUTINE LoadSpecies\n\n USE M3UTILIO\n \n IMPLICIT NONE\n\n ! local variables\n Integer k, n\n Integer status\n Character*(16) varname\n Character*(16) field \n\n NSPECVAR = 0\n do k=1,2048\n \n ! build VARNAME\n write(field,'(i5)') k\n Call leftTrim(field)\n varname = 'SPECIES_' // TRIM(field)\n \n ! get environment variable varname\n CALL ENVSTR( varname, 'Species Variable definition', 'Not Used', field, status)\n IF( status .ne. 0 ) EXIT\n\n ! check for SPECIES_1 = 'ALL\" for all species\n if( k.eq.1 .and. TRIM(field).eq.'ALL' ) then\n \n NSPECVAR = NVARS3D\n if( NSPECVAR.gt.SIZE(SPECVARS) ) then\n NSPECVAR = SIZE(SPECVARS)\n write(*,'(//,''**Warning** the number of species exceed maximum'')')\n write(*,'('' Only the first'',i4,'' species will be processed'')') NSPECVAR\n endif \n\n ! copy all species\n do n=1,NVARS3D\n SPECVARS(n) = VNAME3D(n)\n enddo \n\n EXIT\n endif\n \n NSPECVAR = NSPECVAR + 1\n SPECVARS( NSPECVAR ) = field\n\n enddo\n \n end Subroutine LoadSpecies\n \n END MODULE SPECIES\n\n" }, { "path": "POST/writesite/src/parser.F", "content": "!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC***********************************************************************\n\nC***********************************************************************\nC routines for parsing a delimited text record\nC***********************************************************************\n\nC Return the number of fields in record\n INTEGER FUNCTION getNumberOfFields( record, delimiter ) result( nfields )\n\n CHARACTER*(*) record\n CHARACTER*(1) delimiter\n Integer getFieldCount\n\n Integer i\n\n ! if delimiter is space, use getFieldCount function\n if( delimiter.eq.' ') then\n nfields = getFieldCount(record, delimiter)\n return\n endif\n\n nfields = 1\n Do i=1, LEN(record)\n if( record(i:i) .eq. delimiter ) nfields = nfields+1\n EndDo\n\n Return\n End\n\nC Return the number of parsed fields in record\nC this method considers duplicate delimiters as one\n INTEGER FUNCTION getFieldCount(record, delimiter)\n & result(nfields)\n\n CHARACTER*(*) record\n CHARACTER*(*) delimiter\n\n Integer i\n Logical infield\n Logical isDel\n\n nfields = 0\n infield = .false.\n Do i=1,LEN(record)\n isDel = (record(i:i).eq.delimiter)\n\n ! check for start of field\n if( .NOT.infield .and. .NOT.isDel ) then\n nfields = nfields+1\n infield = .true.\n cycle\n endif\n\n ! check for end of field\n if( infield .and. isDel ) then\n infield = .false.\n cycle\n endif\n enddo \n \n Return\n end\n\n\nC Return the nth field of record\n Subroutine getField( record, delimiter, nth, field )\n\n CHARACTER*(*) record\n CHARACTER*(1) delimiter\n Integer nth\n CHARACTER*(*) field\n\n Integer nfields\n Integer i, pos1\n\n ! if delimiter is space, use method 2\n if( delimiter.eq.' ' ) then\n call getField2( record, delimiter, nth, field )\n call RightTrim(field)\n return\n endif\n \n pos1 = 1\n nfields = 0\n field = ''\n Do i=1, LEN(record)\n if( record(i:i) .eq. delimiter ) then\n nfields = nfields+1 \n if( nfields .eq. nth ) then\n if(pos1.lt.i) field = record(pos1:i-1)\n call RightTrim(field)\n return\n Endif\n pos1 = i+1\n Endif\n Enddo\n\n nfields = nfields+1 \n\n ! check if last field\n if( nfields .eq. nth ) then\n field = record(pos1:)\n Endif\n\n Call RightTrim(field)\n Return\n End\n \nC Return the nth field in record (method 2)\nC this method considers duplicate delimiters as one\nC\n Subroutine getField2( record, delimiter, nth, field )\n \n CHARACTER*(*) record\n CHARACTER*(*) delimiter\n Integer nth\n CHARACTER*(*) field\n \n Integer nfields\n Integer i, pos1\n Logical infield\n Logical isDel\n \n nfields = 0\n field = ''\n infield = .false.\n Do i=1,LEN(record)\n isDel = (record(i:i).eq.delimiter)\n \n ! check for start of field\n if( .NOT.infield .and. .NOT.isDel ) then \n nfields = nfields+1\n pos1 = i\n infield = .true.\n endif\n \n ! check for end of field\n if( infield .and. isDel ) then\n infield = .false.\n endif\n \n ! if end of nth field, return\n if( nfields.eq.nth .and. .not.infield ) then\n if(pos1.lt.i) field = record(pos1:i-1)\n return\n endif\n enddo\n \n ! check for last field\n if( nfields.eq.nth ) field = record(pos1:)\n \n Return\n End\n\n \nC Return the number of parsed fields in record\n INTEGER FUNCTION getParsedNumber( record, delimiter ) result( nfields )\n\n CHARACTER*(*) record\n CHARACTER*(*) delimiter\n\n Integer i\n\n nfields = 1\n Do i=1, LEN(record)\n if( index(delimiter,record(i:i)) .gt. 0 ) nfields = nfields+1\n EndDo\n\n Return\n End\n \nC Return the nth field of record\n Subroutine getParsedField( record, delimiter, nth, field, includeDel )\n\n CHARACTER*(*) record\n CHARACTER*(*) delimiter\n Integer nth\n CHARACTER*(*) field\n Logical includeDel \n\n Integer nfields\n Integer i, pos1\n \n pos1 = 1\n nfields = 0\n field = ''\n Do i=1, LEN(record)\n if( index(delimiter,record(i:i)) .gt. 0 ) then\n nfields = nfields+1 \n if( nfields .eq. nth ) then\n if( pos1.lt.i ) field = record(pos1:i-1)\n return\n Endif\n\n ! define starting point of next field\n pos1 = i+1\n if( includeDel ) pos1 = i\n \n Endif\n Enddo\n\n nfields = nfields+1 \n\n ! check if last field\n if( nfields .eq. nth ) then\n field = record(pos1:)\n Endif\n\n Return\n End\n \nC***********************************************************************\nC Returns the nth field of record\nC***********************************************************************\n Subroutine getFld( record, delimiter, nth, del, field )\n \n IMPLICIT NONE\n \n CHARACTER*(*) record\n CHARACTER*(*) delimiter\n CHARACTER del\n Integer nth\n CHARACTER*(*) field\n \n Integer nfields\n Integer i, pos1\n \n pos1 = 1\n nfields = 0\n del = delimiter(1:1)\n field = ''\n Do i=1, LEN(record)\n if( index( delimiter,record(i:i) ) .gt. 0 ) then\n nfields = nfields+1\n if( nfields .eq. nth ) then\n if(pos1.le.i) field = record(pos1:i-1)\n call LeftTrim(field)\n call RightTrim(field)\n return \n Endif \n del = record(i:i) \n pos1 = i+1 \n Endif \n Enddo \n \n nfields = nfields+1 \n \n ! check if last field \n if( nfields .eq. nth ) then \n field = record(pos1:) \n Endif \n \n Call LeftTrim(field) \n Call RightTrim(field) \n Return \n End\n\n\nC***********************************************************************\nC Returns the number of parsed fields in record\nC***********************************************************************\n INTEGER FUNCTION getFldCount(record, delimiter)\n & result(nfields)\n \n IMPLICIT NONE\n \n CHARACTER*(*) record\n CHARACTER*(*) delimiter\n \n Integer i\n Logical isDel\n \n nfields = 0\n if( LEN_TRIM(record).gt.0 ) nfields = 1\n \n Do i=1,LEN(record)\n isDel = ( index(delimiter, record(i:i)) .gt. 0 ) \n if( isDel ) then \n nfields = nfields+1 \n cycle \n endif \n enddo \n \n Return \n end \n \nC****************************************************************************\nC routine to remove leading blank spaces from Character String\nC****************************************************************************\n Subroutine LeftTrim( STRING )\n\n CHARACTER*(*) STRING\n Integer I\n\n Do I=1,LEN(STRING)\n if(STRING(I:I) .ne. CHAR(32)) Then\n STRING = STRING(I:)\n RETURN\n EndIf \n EndDo\n\n Return\n End Subroutine LeftTrim\n\nC****************************************************************************\nC routine to remove trailing white spaces from Character String\nC****************************************************************************\n Subroutine RightTrim( STRING )\n \n CHARACTER*(*) STRING\n Integer I\n \n Do I=LEN(STRING),1,-1\n if(STRING(I:I) .lt. CHAR(32)) STRING(I:I) = CHAR(32)\n if(STRING(I:I) .gt. CHAR(32)) Exit\n EndDo\n\n Return\n End Subroutine RightTrim\n\n\nC****************************************************************************\nC routine to remove quotation marks from character field\nC****************************************************************************\n Subroutine rmQuots( string )\n \n Implicit none\n \n ! arguments \n Character*(*) string\n \n Integer last, i\n \n \n call LeftTrim(string)\n last = LEN_TRIM(string)\n \n ! if no quot marks, return\n if( string(1:1).ne.'\"' .and. string(last:last).ne.'\"') return\n \n ! remove last quot mark\n string(last:last) = ' '\n \n do i=1,last-1\n string(i:i) = string(i+1:i+1)\n enddo \n \n Return \n End Subroutine rmQuots \n\nC***********************************************************************\nC Routine to change character string to upper characters\nC***********************************************************************\n SUBROUTINE UCASE ( STR )\n \n IMPLICIT NONE\n \n CHARACTER STR*( * )\n INTEGER I\n INTEGER K\n \n DO I = 1, LEN(STR)\n K = ICHAR(STR(I:I))\n IF ( ( K .GE. 97 ) .AND. ( K .LE. 122 ) )\n & STR( I:I ) = CHAR( K - 32 )\n END DO\n \n RETURN\n END SUBROUTINE UCASE\n\n" }, { "path": "POST/writesite/src/writesite.F", "content": "!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC****************************************************************************************\nc PROGRAM writeSite \nc\nC*****************************************************************************************\n USE SITES\n USE SPECIES\n\n USE M3UTILIO\n\n IMPLICIT NONE\n\nC external functions\n integer getTZ\n character*(16) int2Str\n character*(16) real2Str\n character*(16) date2Str\n character*(16) time2Str\n\nC local variables\n integer status\n logical lstatus\n logical prtXY\n logical uselocal\n logical prthead\n integer timeShift\n integer layer \n integer startDate, endDate\n integer logdev\n integer cdate, ctime\n integer ldate, ltime, tzoff\n integer runlen\n character*(4096) header1\n character*(4096) header2\n character*(4096) record\n character*(16) field\n character*(256) infile\n character*(256) outfile\n real, allocatable :: data(:,:,:) \n integer, allocatable :: tzoffset(:,:) \n integer lfn\n integer i, s, t, idx\n integer column, row\n real x, y, lon, lat\n\n\n lfn = 10\n\nC... start program\n logdev = init3 ()\n\nC... get print headings switch\n prthead = ENVYN('PRTHEAD',\"Print heading switch\", .TRUE., status)\n\nC... get print XY switch\n prtXY = ENVYN('PRT_XY',\"Print Map Projected XY switch\", .FALSE., status)\n\nC... get USELOCAL switch\n uselocal = ENVYN('USELOCAL',\"Adjust to local time\", .FALSE., status)\n\nC... get for Time shift\n timeShift = ENVINT('TIME_SHIFT','Hours to shift', 0, status)\n\nC... get layer to process\n layer = ENVINT('LAYER','Layer to process', 1, status)\n\nC... open input file\n if( .not. open3('INFILE',fsread3, 'writeSite')) then\n Call m3err('writeSite', 0, 0, 'Could not open INFILE', .TRUE.)\n endif\n\nC... load file description from INFILE\n if( .not. desc3('INFILE')) then\n Call m3err ('writeSite', 0, 0, 'Could not load file description from IN_FILE', .TRUE.)\n endif\n\nC... check for invalid layer\n if( layer.lt.1 .or. layer.gt.NLAYS3D ) then\n Call m3err ('writeSite', 0, 0, 'Invalid Layer number to process', .TRUE.)\n endif\n\nC... check for start and end dates\n startDate = ENVINT('STARTDATE','Starting Date', SDATE3D, status)\n endDate = ENVINT('ENDDATE','Ending Date', 9999366, status)\n\nC... set map projection\n Call SETPROJ( GDTYP3D, Real(P_ALP3D),Real(P_BET3D),Real(P_GAM3D),Real(XCENT3D),Real(YCENT3D) )\n\nC... load sites\n Call loadSites()\n\nC... get species definitions from system variables\n Call loadSpecies()\n write(*,'(i5,'' species defined'')') NSPECVAR\n\nC... get name of output file and try to open\n CALL ENVSTR( 'OUTFILE', 'Name of output file', 'out.csv', outfile, status)\n OPEN(unit=lfn, file=outfile, iostat=status)\n IF( status .ne. 0 ) then\n write(*,'(''**ERROR** Cannot open OUTFILE:'',a)') TRIM(outfile)\n Stop\n endif\n\nC... create header record\n header1 = 'column,row,longitude,latitude'\n header2 = ',,degrees,degrees'\n \n ! add lambert XY headers\n if(prtXY) then\n header1 = TRIM(header1) // ',Lambert_X,LAMBERT_Y'\n header2 = TRIM(header2) // ',meters,meters'\n endif\n\n header1 = TRIM(header1) // ',date' \n header2 = TRIM(header2) // ',YYYY-MM-DD'\n\n ! add time field if time step < 24 hours\n if( TSTEP3D .lt. 240000 ) then\n header1 = TRIM(header1) // ',Time'\n header2 = TRIM(header2) // ',hh:mm:ss'\n endif\n\n ! add siteid if using site file\n if( .not.ALLCELLS ) then\n header1 = 'siteid,' // header1\n header2 = ',' // header2\n endif\n\n do i=1,NSPECVAR\n idx = index1(TRIM(SPECVARS(i)), NVARS3D, VNAME3D)\n if( idx.le.0 ) then\n write(*,'(''**ERROR** Invalid Species Variable:'',a)') TRIM(SPECVARS(i))\n Stop\n endif\n header1 = TRIM(header1) // ',' // SPECVARS(i)\n header2 = TRIM(header2) // ',' // UNITS3D(idx)\n enddo\n\n if( prthead ) then\n CALL ENVSTR( 'INFILE', 'Name of input file', 'INFILE', infile, status)\n write(lfn,'(''Data read from file:'',a,'' (layer'',i3,'')'',/)') TRIM(infile),layer\n\n if( TSTEP3D .lt. 240000 ) then \n if( USELOCAL ) then\n write(lfn,'('' Note: Times have been converted to local standard'')')\n else\n write(lfn,'('' Note: All Times are in GMT'')')\n endif\n\n if( timeShift.ne.0 ) write(lfn,'(9x,''Data shifted'',i2,'' (hours)'')') timeShift\n\n Write(lfn,'(/)')\n endif\n\n\n write(lfn,'(a)') TRIM(header1)\n write(lfn,'(a)') TRIM(header2)\n endif\n\nC... start process loops for sites\n if( .not.ALLCELLS ) then\n\n ! allocate data array for 1 species\n allocate( data(NCOLS3D, NROWS3D, 1) )\n\n do s = 1,NSITES\n write(*,'(''Processing site:'',a)') TRIM(siteid(s))\n\n ! set first date and time\n cdate = SDATE3D\n ctime = STIME3D\n\n ! compute x,y for cell\n x = (siteCol(s)-0.5)*XCELL3D + XORIG3D\n y = (siteRow(s)-0.5)*YCELL3D + YORIG3D\n\n tzoff = 0\n if( USELOCAL .and. TSTEP3D.lt.240000 ) then\n tzoff = getTZ(longitude(s), latitude(s))\n endif\n\n do t = 1,MXREC3D\n if( cdate.ge.startDate .and. cdate.le.endDate ) then\n record = TRIM(siteid(s))\n record = TRIM(record) // ',' // int2Str(siteCol(s), '(i5)')\n record = TRIM(record) // ',' // int2Str(siteRow(s), '(i5)')\n record = TRIM(record) // ',' // real2Str(longitude(s), '(f16.5)')\n record = TRIM(record) // ',' // real2Str(latitude(s), '(f16.5)')\n if( prtXY ) then\n record = TRIM(record) // ',' // real2Str(x, '(f16.1)')\n record = TRIM(record) // ',' // real2Str(y, '(f16.1)')\n endif\n\n ldate = cdate\n ltime = ctime\n Call NEXTIME(ldate, ltime, -tzoff * 10000)\n \n if( TSTEP3D .lt. 240000 ) then\n Call NEXTIME(ldate, ltime, timeShift * 10000)\n endif\n \n record = TRIM(record) // ',' // date2Str(ldate)\n\n if( TSTEP3D .lt. 240000 ) then\n record = TRIM(record) // ',' // time2Str(ltime)\n endif\n\n do i = 1, NSPECVAR\n if(.not.READ3( 'INFILE', SPECVARS(i), layer, cdate, ctime, data )) then\n call M3ERR( 'writesite', cdate, ctime, 'Read Error', .TRUE. )\n endif\n\n field = 'm'\n if( siteCol(s).gt.0 .and. siteCol(s).le.NCOLS3D .and.\n & siteRow(s).gt.0 .and. siteRow(s).le.NROWS3D ) then\n field = real2Str( data(siteCol(s),siteRow(s),1), '(g16.6)' ) \n endif\n\n record = TRIM(record) // ',' // field\n enddo ! end species loop\n\n write(lfn,'(a)') TRIM(record)\n endif ! time window \n\n call NEXTIME( cdate, ctime, TSTEP3D )\n enddo ! end time record loop\n enddo ! end site loop \n\n lstatus = SHUT3 ()\n stop\n endif ! sites condition\n\nC... start process loops for all cells\n if( ALLCELLS ) then\n\n ! allocate data array for NSPECVAR species\n allocate( data(NSPECVAR, NCOLS3D, NROWS3D) )\n\n ! allocate data array for timezone offsets \n allocate( tzoffset(NCOLS3D, NROWS3D) )\n tzoffset = 0\n if( USELOCAL .and. TSTEP3D.lt.240000 ) then\n write(*,'(/'' Computing timezone offset for each cell''/)')\n\n do column = 1,NCOLS3D\n do row = 1,NROWS3D\n ! compute lon and lat for cell\n x = (column-0.5)*XCELL3D + XORIG3D\n y = (row-0.5)*YCELL3D + YORIG3D\n\n Call ToLL( GDTYP3D, x, y, lon, lat )\n \n tzoffset(column,row) = getTZ(lon,lat)\n enddo\n enddo\n endif ! loop for computing tz offsets\n\n ! set first date and time\n cdate = SDATE3D\n ctime = STIME3D\n\n do t = 1,MXREC3D\n\n if( cdate.ge.startDate .and. cdate.le.endDate ) then\n write(*,'(''processing data for '',2i8)') cdate,ctime\n\n ! read data for record\n do i = 1, NSPECVAR\n if(.not.READ3( 'INFILE', SPECVARS(i), layer, cdate, ctime, data(i,:,:) )) then\n call M3ERR( 'writesite', cdate, ctime, 'Read Error', .TRUE. )\n endif\n enddo\n\n ! print record for each cell\n do column = 1,NCOLS3D\n do row = 1,NROWS3D\n\n ! compute lon and lat for cell\n x = (column-0.5)*XCELL3D + XORIG3D\n y = (row-0.5)*YCELL3D + YORIG3D\n\n Call ToLL( GDTYP3D, x, y, lon, lat )\n\n ! build output record\n record = int2Str(column, '(i5)')\n record = TRIM(record) // ',' // int2Str(row, '(i5)')\n record = TRIM(record) // ',' // real2Str(lon, '(f16.5)')\n record = TRIM(record) // ',' // real2Str(lat, '(f16.5)')\n if( prtXY ) then\n record = TRIM(record) // ',' // real2Str(x, '(f16.1)')\n record = TRIM(record) // ',' // real2Str(y, '(f16.1)')\n endif\n\n ! adjust time\n ldate = cdate\n ltime = ctime\n Call NEXTIME(ldate, ltime, -tzoffset(column,row) * 10000)\n call NEXTIME(ldate, ltime, timeShift*10000)\n record = TRIM(record) // ',' // date2Str(ldate)\n\n if( TSTEP3D .lt. 240000 ) then\n record = TRIM(record) // ',' // time2Str(ltime)\n endif\n\n do i = 1, NSPECVAR\n field = real2Str( data(i,column,row), '(g16.6)' ) \n record = TRIM(record) // ',' // field\n enddo \n\n write(lfn,'(a)') TRIM(record)\n enddo ! end row loop \n enddo ! end column loop \n endif ! time window\n call NEXTIME( cdate, ctime, TSTEP3D ) \n enddo ! end time record loop\n\n lstatus = SHUT3 ()\n stop\n endif ! all cells condition\n\n end\n\n\n\nC****************************************************************************\nC routine to set map projection\nC****************************************************************************\n Subroutine SetProj(gdtype, alpha, beta, gamma, xcent, ycent) \n\n USE M3UTILIO\n\n IMPLICIT NONE\n\n ! arguments\n Integer gdtype\n Real alpha, beta, gamma, xcent, ycent\n\n ! check for LAT/LON projection\n if( gdtype .eq. 1 ) then\n return\n endif\n\n ! check for lambert projection\n if( gdtype .eq. 2 ) then\n if( .NOT. SETLAM( alpha, beta, gamma, xcent, ycent) ) then\n Call m3exit ('writeSite', 0, 0, 'Lambert projection setup error', xstat2)\n endif\n return\n endif\n\n ! check for polar stereographic projection\n if( gdtype .eq. 6 ) then\n if( .NOT. SETPOL( alpha, beta, gamma, xcent, ycent) ) then\n Call m3exit ('writeSite', 0, 0, 'Polar stereographic projection setup error', xstat2)\n endif\n return\n endif\n\n ! check for equatorial mercator projection\n if( gdtype .eq. 7 ) then\n if( .NOT. SETEQM( alpha, beta, gamma, xcent, ycent) ) then\n Call m3exit ('writeSite', 0, 0, 'Equatorial mercator projection setup error', xstat2)\n endif\n return\n endif\n\n Call m3exit ('writeSite', 0, 0, 'Unsupported map projection', xstat2)\n\n end Subroutine SetProj\n\n\nC****************************************************************************\nC routine to compute map projection from LAT/LON\nC****************************************************************************\n Subroutine ToProj(gdtype, longitude, latitude, x, y) \n\n USE M3UTILIO\n\n IMPLICIT NONE\n\n ! arguments\n Integer gdtype\n Real longitude, latitude, x, y\n\n ! check for LAT/LON projection\n if( gdtype .eq. 1 ) then\n x = longitude\n y = latitude\n return\n endif\n\n ! check for lambert projection\n if( gdtype .eq. 2 ) then\n if(.NOT.LL2LAM(longitude, latitude, x, y) ) then\n Call m3exit('writesite', 0, 0, 'Lat/Lon to Lambert error', xstat2)\n endif\n return\n endif\n\n ! check for polar stereographic projection\n if( gdtype .eq. 6 ) then\n if(.NOT.LL2POL(longitude, latitude, x, y) ) then\n Call m3exit('writesite', 0, 0, 'Lat/Lon to polar stereographic error', xstat2)\n endif\n return\n endif\n\n ! check for polar stereographic projection\n if( gdtype .eq. 7 ) then\n if(.NOT.LL2EQM(longitude, latitude, x, y) ) then\n Call m3exit('writesite', 0, 0, 'Lat/Lon to equatorial mercator error', xstat2)\n endif\n return\n endif\n\n Call m3exit ('writeSite', 0, 0, 'Unsupported map projection', xstat2)\n\n end Subroutine ToProj\n\n\nC****************************************************************************\nC routine to compute LAT/LON from map projection\nC****************************************************************************\n Subroutine ToLL(gdtype, x, y, longitude, latitude)\n\n USE M3UTILIO\n\n IMPLICIT NONE\n\n ! arguments\n Integer gdtype\n Real longitude, latitude, x, y\n\n ! check for LAT/LON projection\n if( gdtype .eq. 1 ) then\n longitude = x\n latitude = y\n return\n endif\n\n ! check for lambert projection\n if( gdtype .eq. 2 ) then\n if(.NOT.LAM2LL(x, y, longitude, latitude) ) then\n Call m3exit('writesite', 0, 0, 'Lat/Lon to Lambert error', xstat2)\n endif\n return\n endif\n\n ! check for polar stereographic projection\n if( gdtype .eq. 6 ) then\n if(.NOT.POL2LL(x, y, longitude, latitude) ) then\n Call m3exit('writesite', 0, 0, 'Lat/Lon to polar stereographic error', xstat2)\n endif\n return\n endif\n\n ! check for equatorial mercator projection\n if( gdtype .eq. 7 ) then\n if(.NOT.EQM2LL(x, y, longitude, latitude) ) then\n Call m3exit('writesite', 0, 0, 'Lat/Lon to equatorial mercator error', xstat2)\n endif\n return\n endif\n\n Call m3exit ('writeSite', 0, 0, 'Unsupported map projection', xstat2)\n\n end Subroutine ToLL \n\n\n\nC****************************************************************************\nC routine to convert integer to string\nC****************************************************************************\n Character*16 Function int2Str( value, fmt ) result(intStr)\n\n IMPLICIT NONE\n\n ! argument\n Integer value\n Character*(*) fmt\n\n Write(intStr,fmt) value\n Call LeftTrim(intStr)\n return\n End Function int2Str \n\n\nC****************************************************************************\nC routine to convert real to string\nC****************************************************************************\n Character*16 Function real2Str( value, fmt ) result(realStr)\n\n IMPLICIT NONE\n\n ! argument\n Real value\n Character*(*) fmt\n\n Write(realStr,fmt) value\n Call LeftTrim(realStr)\n return\n End Function real2Str \n \n\nC****************************************************************************\nC routine to convert date and time to string as \"yyyy-mm-dd\"\nC****************************************************************************\n Character*16 Function date2Str( date ) result(dateStr)\n \n Implicit None\n\n Integer date\n \nC.. local variables\n Integer month, day, year\n \n call DayMon( date, month, day )\n year = date/1000\n \n write(dateStr,'(i4.4,''-'',i2.2,''-'',i2.2)') year, month, day\n\n return\n End Function date2Str\n\n\nC****************************************************************************\nC routine to convert time to string as \"HH:MM:SS\" \nC****************************************************************************\n Character*16 Function time2Str( time ) result(timeStr)\n \n Implicit None\n\n Integer time \n \nC.. local variables \n Integer hour, minutes, secs\n \n hour = time/10000 \n minutes = (time - 10000*hour)/100 \n secs = mod(time,100) \n \n write(timeStr,'(i2.2,'':'',i2.2,'':'',i2.2)') \n & hour,minutes,secs\n return \n End Function time2Str \n \n" }, { "path": "PREP/README.md", "content": "Pre-processing Tools\n========\n\n## Overview\nThe following programs are provided to process and prepare input data for the CMAQ Chemistry Transport Model. Documentation for these programs is provided in README files within each foler. \n\n## Pre-processing Programs\n* **[bcon](bcon/README.md)**: Prepares lateral chemical boundary conditions (BCs) for CCTM from either ASCII vertical profiles or from an existing CCTM output concentration (CONC) file\n* **[icon](icon/README.md)**: Prepares chemical initial conditions (ICs) for CCTM from either ASCII vertical profiles or from an existing CCTM output concentration (CONC) file\ndata\n* **[mcip](mcip/README.md)**: Processes meteorological model output from either MM5 or WRF-ARW model into I/O API-formatted files that are compatible with CMAQ and SMOKE\n* **[create_omi](create_omi/README.md)**: Produces an OMI input file that supports CMAQ CCTM's in-line calculation of photolysis rates.\n* **[dmschlo](../PYTOOLS/dmschlo/README.md)**: Prepares OCEAN file with DMS and CHLO variables required by DMS and halogen chemistry.\n* **[shp2cmaq](../PYTOOLS/shp2cmaq/README.md)**: Creates a CMAQ-ready grid mask from a shape file that can be used for defining regions and region families with DESID and using geographic source regions when running CMAQ-ISAM. \n" }, { "path": "PREP/bcon/README.md", "content": "BCON\n========\n\nThe program BCON prepares chemical boundary conditions (BCs) for the CMAQ\nChemistry Transport Model (CCTM). BCON will generate an output file with\nchemical concentrations for all grid cells along the modeling domain's\nhorizontal boundaries. Depending on user specified options and/or input\ndatasets, the BCs generated by BCON can be time varying, time independent, and\neither spatially uniform or variable across the model boundaries. If deriving\nBCs from the ASCII vertical profiles, BCON creates spatially uniform, time\nindependent BCs. From concentration (CONC) files, BCON extracts spatially\nvarying BCs, either on the same grid cell resolution (windowed modeling domain),\nor for a finer grid resolution modeling domain (nested modeling domain). BCs\ngenerated from CONC files are time dependent if the input CONC file is time\nstepped, or time independent if the CONC file time step is zero.\n\nThere are two distinct modes of operation for BCON. When running BCON, the\nuser must specify whether to generate BCs from: (1) an existing CONC file\n(*regrid*); or (2) an ASCII file of vertical profiles (*profile*).\n\nThe User's Guide contains a [tutorial on how to use BCON to create boundary conditions from seasonal or daily average hemispheric CMAQ output files](../../DOCS/Users_Guide/Tutorials/CMAQ_UG_tutorial_HCMAQ_IC_BC.md) distributed through the CMAS data warehouse.\n\nCMAQ can also use boundary conditions derived from global chemistry models\n(GCMs). While BCON does not directly support processing of datasets from GCMs\n(in their native formats), users could develop their own custom codes to\ntransform their GCM datasets into I/O API format, which would then allow these\ndatasets to be input into BCON to generate BCs for the CCTM. In addition, other\ntools exist in the community to generate BCs from GCMs. For example, the CAMx\ndevelopers (Ramboll Environ) have codes available for extracting regional model\nBCs from both GEOS- Chem and MOZART. Visit the [Support Software section of\nwww.CAMx.com](https://www.camx.com/download/support-software/) to download\nthese utilities.\n\n## Runtime Environment Variables:\n\n**Table 1. Runtime Environment Variables**\n\n|**Variable Name**|**Example in Runscript**|**Description**|\n|---------------------|-------------|-----------------------------------------------------------------------|\n|VRSN|v53|Identifies version for the BCON run. Its value should be consistent between BCON build and run scripts for an individual application.|\n|APPL|SE53BENCH|Identifies the intent of the BCON run such as the model domain and chemical mechanism used. Value is the user's preference.|\n|BCTYPE|regrid, profile|Specifies which BC type to generate.|\n|EXEC|BCON_${VRSN}.exe|Executable to use for the BCON run. |\n|GRIDDESC|$CMAQ_HOME/scripts/GRIDDESC1|Grid description file for setting the horizontal grid definition for the target domain.|\n|GRID_NAME|SE53BENCH|Name of the grid definition contained in the GRIDDESC file that specifies the horizontal grid for the target domain.|\n|OUTDIR|$CMAQ_HOME/data/bcon|Output data directory|\n|DATE|2016183|Sets the Julian date to use in naming the BCON output file for the regrid BC type|\n|SDATE|0|Julian start date for extracting boundary conditions from a CCTM CONC file. If SDATE is not set, it will be set automatically from the MET_BDY_3D_FIN file.|\n|STIME|0|Start time for extracting boundary conditions from a CCTM CONC file. If STIME is not set, it will be set automatically from the MET_BDY_3D_FIN file.|\n|RUNLEN|0|Run length for extracting boundary conditions from a CCTM CONC file. If RUNLEN is not set, it will be set automatically from the MET_BDY_3D_FIN file.\n|IOAPI_ISPH|20|I/O API setting for spheroid type. See I/O API documentation for [setsphere](https://www.cmascenter.org/ioapi/documentation/all_versions/html/SETSPHERE.html) for more information.|\n|IOAPI_OFFSET_64|YES|I/O API setting for large time-step records. If your output time step is going to produce data that are >2GB per time step, then this needs to be set to YES.|\n\n## BCON input files\n\n**Table 2. BCON input files for BCTYPE equals \"regrid\"**\n\n|**File Name**|**Format**|**Description**|\n|---------------------|-------------|-----------------------------------------------------------------------|\n|GRIDDESC|ASCII|Horizontal grid description file for defining the model grid for the target domain; this file is output by MCIP or can be created by the user|\n|CTM_CONC_1|IOAPI/GRDDED3|Name and location of the CMAQ concentration file from which to derive boundary conditions|\n|MET_CRO_3D_CRS|IOAPI/GRDDED3|Name and location of the coarse-grid (or source modeling domain) MET_CRO_3D file|\n|MET_BDY_3D_FIN|IOAPI/BNDARY3|Name and location of the fine-grid (or target modeling domain) MET_BDY_3D file|\n\n**Table 3. BCON input files for BCTYPE equals \"profile\"**\n\n|**File Name**|**Format**|**Description**|\n|---------------------|-------------|-----------------------------------------------------------------------|\n|GRIDDESC|ASCII|Horizontal grid description file for defining the model grid for the target domain; this file is output by MCIP or can be created by the user|\n|BC_PROFILE|ASCII|Vertical chemical profiles from which to derive boundary conditions; this file is created by the user|\n|MET_BDY_3D_FIN|IOAPI/BNDARY3|Name and location of the fine-grid (or target modeling domain) MET_BDY_3D file|\n\n## BCON output files\n\n**Table 3. BCON output files**\n\n**>>Comment<<** File name needs to be changed to variable name. \n\n|**File Name**|**Format**|**Description**|\n|------------|-----------|---------------------------------------------------------------|\n|BNDY_CONC_1|BNDARY3|Name and location of the gridded boundary conditions data output on the model grid defined VRSN, BCTYPE, APPL, and DATE |\n\nThe default location of the BCON output files is the `$CMAQ_DATA/bcon`\ndirectory, controlled by the `OUTDIR` variable in the run script. The default\nnaming convention for all BCON output files uses the `APPL` and `GRID_NAME`\nenvironment variables in the file name. For boundary conditions created from\nexisting `CCTM CONC` files, the Julian date is also used in the file name\nthrough the `DATE` environment variable. All of the file-naming variables for\n`BCON` outputs are set in the run script.\n\n## Compile BCON source code\n\nExecute the build script to compile BCON:\n\n```\ncd $CMAQ_HOME/PREP/bcon/scripts\n./bldit_bcon.csh [compiler] [version] |& tee build_bcon.log\n```\n\n## Run BCON\n\nSet the run script settings according to the execution configuration variables\ndescribed above. Run BCON to produce boundary conditions for the CCTM:\n\n```\ncd $CMAQ_HOME/PREP/bcon/scripts\n./run_bcon.csh |& tee run_bcon.log\n```\n\nCheck the log file to ensure complete and correct execution without errors.\n\n" }, { "path": "PREP/bcon/map2mech/SpecDef_cracmm1_aq_derived_from_cb6r5m_ae7_aq.txt", "content": "/#start YYYYDDD HHMMSS\n/#end YYYYDDD HHMMSS\n/#layer KLAY (default is all layers)\n/\n\n! This Specices Definition File was generated for mapping \n! from CB6 to cracmm1_aq for LISTOS_cracmmv1 2018 testing\n! and 12US1 2018 CMAQv5.4 CRACMM1 testing.\n! Any split factors were based on a 2017 emissions inventory analysis.\n\n\n/ File [1]: cb6r5m_ae7_aq BCON or ICON file to be mapped to cracmm1\n\n/new species, units, expression, description\n\nPRES ,Pa ,PRES[1], CRACMM mapping of PRES\n\nTA ,K ,TA[1], CRACMM mapping of TA\n\nRH ,1 ,RH[1], CRACMM mapping of RH\n\nW_VEL ,m s-1 ,W_VEL[1], CRACMM mapping of W_VEL\n\nNO2 ,ppmV ,NO2[1], CRACMM mapping of NO2\n\nNO ,ppmV ,NO[1], CRACMM mapping of NO\n\nO3P ,ppmV ,O[1], CRACMM mapping of O\n\nO3 ,ppmV ,O3[1], CRACMM mapping of O3\n\nNO3 ,ppmV ,NO3[1], CRACMM mapping of NO3\n\nO1D ,ppmV ,O1D[1], CRACMM mapping of O1D\n\nHO ,ppmV ,OH[1], CRACMM mapping of OH\n\nHO2 ,ppmV ,HO2[1], CRACMM mapping of HO2\n\nH2O2 ,ppmV ,H2O2[1], CRACMM mapping of H2O2\n\nN2O5 ,ppmV ,N2O5[1], CRACMM mapping of N2O5\n\nHNO3 ,ppmV ,HNO3[1], CRACMM mapping of HNO3\n\nHONO ,ppmV ,HONO[1], CRACMM mapping of HONO\n\nHNO4 ,ppmV ,PNA[1], CRACMM mapping of PNA\n\nSO2 ,ppmV ,SO2[1], CRACMM mapping of SO2\n\nSULF ,ppmV ,SULF[1], CRACMM mapping of SULF\n\nACO3 ,ppmV ,C2O3[1], CRACMM mapping of C2O3\n\nMO2 ,ppmV ,MEO2[1], CRACMM mapping of MEO2\n\nPAN ,ppmV ,PAN[1], CRACMM mapping of PAN\n\nPPN ,ppmV ,PANX[1], CRACMM mapping of PANX\n\nPAA ,ppmV ,PACD[1], CRACMM mapping of PACD\n\nORA2 ,ppmV ,AACD[1], CRACMM mapping of AACD\n\nRCO3 ,ppmV ,CXO3[1], CRACMM mapping of CXO3\n\nHCHO ,ppmV ,FORM[1], CRACMM mapping of FORM \n\nOP1 ,ppmV ,MEPX[1], CRACMM mapping of MEPX\n\nMOH ,ppmV ,MEOH[1], CRACMM mapping of MEOH\n\nOP2 ,ppmV ,ROOH[1], CRACMM mapping of ROOH\n\nONIT ,ppmV ,NTR1[1] + NTR2[1], CRACMM mapping of NTR1 and NTR2\n\nORA1 ,ppmV ,FACD[1], CRACMM mapping of FACD\n\nCO ,ppmV ,CO[1], CRACMM mapping of CO\n\nALD ,ppmV ,ALDX[1] + GLYD[1], CRACMM mapping of ALDX and GLYD\n\nUALD ,ppmV ,HPLD[1], CRACMM mapping of HPLD\n\nACD ,ppmV ,ALD2[1], CRACMM mapping of ALD2 \n\nGLY ,ppmV ,GLY[1], CRACMM mapping of GLY\n\nMGLY ,ppmV ,MGLY[1], CRACMM mapping of MGLY\n\nETH ,ppmV ,ETHA[1], CRACMM mapping of ETHA\n\nEOH ,ppmV ,ETOH[1], CRACMM mapping of ETOH\n\nMEK ,ppmV ,KET[1]*0.5, CRACMM splitting of KET (assumed equal)\n\nKET ,ppmV ,KET[1]*0.5, CRACMM splitting of KET (assumed equal)\n\nHC5 ,ppmV ,PAR[1]*0.33/5.0, CRACMM splitting of PAR based on emissions\n\nHC10 ,ppmV ,PAR[1]*0.67/10.0, CRACMM splitting of PAR based on emissions\n\nACT ,ppmV ,ACET[1], CRACMM mapping of ACET\n\nHC3 ,ppmV ,PRPA[1], CRACMM mapping of PRPA\n\nACE ,ppmV ,ETHY[1], CRACMM mapping of ETHY\n\nETE ,ppmV ,ETH[1], CRACMM mapping of ETH\n\nOLT ,ppmV ,OLE[1], CRACMM mapping of OLE\n\nOLI ,ppmV ,IOLE[1], CRACMM mapping of IOLE\n\nISO ,ppmV ,ISOP[1], CRACMM mapping of ISOP\n\nISOP ,ppmV ,ISO2[1], CRACMM mapping of ISO2\n\nACR ,ppmV ,ACROLEIN[1], CRACMM mapping of ACROLEIN \n\nMACR ,ppmV ,ISPD[1]*0.26, CRACMM mapping of ISPD\n\nMVK ,ppmV ,ISPD[1]*0.35, CRACMM mapping of ISPD\n\nHKET ,ppmV ,ISPD[1]*0.39, CRACMM mapping of ISPD\n\nISON ,ppmV ,INTR[1], CRACMM mapping of INTR\n\nISHP ,ppmV ,ISPX[1], CRACMM mapping of ISPX\n\nMACP ,ppmV ,OPO3[1], CRACMM mapping of OPO3\n\nIEPOX ,ppmV ,EPOX[1], CRACMM mapping of EPOX\n\nLIM ,ppmV ,TERP[1], CRACMM mapping of TERP\n\nAPI ,ppmV ,APIN[1], CRACMM mapping of APIN\n\nBEN ,ppmV ,BENZENE[1], CRACMM mapping of BENZENE\n\nCSL ,ppmV ,CRES[1] + CRON[1], CRACMM mapping of CRES and CRON\n\nBENP ,ppmV ,BZO2[1], CRACMM mapping of BZO2\n\nDCB2 ,ppmV ,OPEN[1], CRACMM mapping of OPEN (no direct match but OPEN is close)\n\nTOL ,ppmV ,TOL[1], CRACMM mapping of TOL\n\nTOLP ,ppmV ,TO2[1], CRACMM mapping of TO2\n\nXYM ,ppmV ,XYLMN[1]*0.70, CRACMM splitting of XYLMN based on emissions\n\nXYE ,ppmV ,XYLMN[1]*0.30, CRACMM splitting of XYLMN based on emissions\n\nXYMP ,ppmV ,XLO2[1]*0.50, CRACMM mapping of XLO2\n\nXYEP ,ppmV ,XLO2[1]*0.50, CRACMM mapping of XLO2\n\nXO2 ,ppmV ,XO2[1], CRACMM mapping of XO2\n\nNAPH ,ppmV ,NAPH[1], CRACMM mapping of NAPH\n\nMCT ,ppmV ,CAT1[1], CRACMM mapping of CAT1\n\nMPAN ,ppmV ,OPAN[1], CRACMM mapping of OPAN\n\nSESQ ,ppmV ,SESQ[1], CRACMM mapping of SESQ\n\nVROCN1ALK ,ppmV ,VLVPO1[1], CRACMM mapping of VLVPO1\n\nVROCP0ALK ,ppmV ,VSVPO1[1], CRACMM mapping of VSVPO1\n\nVROCP1ALK ,ppmV ,VSVPO2[1], CRACMM mapping of VSVPO2\n\nVROCP2ALK ,ppmV ,VSVPO3[1], CRACMM mapping of VSVPO3\n\nVROCP3ALK ,ppmV ,VIVPO1[1], CRACMM mapping of VIVPO1\n\nVROCN2OXY8 ,ppmV ,VLVOO1[1] + SVAVB1[1], CRACMM mapping of VLVOO1 and SVAVB1\n\nVROCN1OXY6 ,ppmV ,VLVOO2[1], CRACMM mapping of VLVOO2\n\nVROCP0OXY4 ,ppmV ,VSVOO1[1] + SVAVB2[1], CRACMM mapping of VSVOO1 and SVAVB2\n\nVROCP1OXY3 ,ppmV ,VSVOO2[1] + SVAVB3[1] + SVSQT[1], CRACMM mapping of VSVOO2, SVAVB3, SVSQT\n\nVROCP2OXY2 ,ppmV ,VSVOO3[1] + SVAVB4[1], CRACMM mapping of VSVOO3 and SVAVB4\n\nBDE13 ,ppmV ,BUTADIENE13[1], CRACMM mapping of BUTADIENE13\n\nASO4J ,ug m-3 ,ASO4J[1], CRACMM mapping of ASO4J\n\nASO4I ,ug m-3 ,ASO4I[1], CRACMM mapping of ASO4I\n\nANH4J ,ug m-3 ,ANH4J[1], CRACMM mapping of ANH4J\n\nANH4I ,ug m-3 ,ANH4I[1], CRACMM mapping of ANH4I\n\nANO3J ,ug m-3 ,ANO3J[1], CRACMM mapping of ANO3J\n\nANO3I ,ug m-3 ,ANO3I[1], CRACMM mapping of ANO3I\n\nAROCP1OXY1J ,ug m-3 ,ASQTJ[1], CRACMM mapping of ASQTJ\n\nAORGCJ ,ug m-3 ,AORGCJ[1], CRACMM mapping of AORGCJ\n\nAECJ ,ug m-3 ,AECJ[1], CRACMM mapping of AECJ\n\nAECI ,ug m-3 ,AECI[1], CRACMM mapping of AECI\n\nAOTHRJ ,ug m-3 ,AOTHRJ[1], CRACMM mapping of AOTHRJ\n\nAOTHRI ,ug m-3 ,AOTHRI[1], CRACMM mapping of AOTHRI\n\nAFEJ ,ug m-3 ,AFEJ[1], CRACMM mapping of AFEJ\n\nAALJ ,ug m-3 ,AALJ[1], CRACMM mapping of AALJ\n\nASIJ ,ug m-3 ,ASIJ[1], CRACMM mapping of ASIJ\n\nATIJ ,ug m-3 ,ATIJ[1], CRACMM mapping of ATIJ\n\nACAJ ,ug m-3 ,ACAJ[1], CRACMM mapping of ACAJ\n\nAMGJ ,ug m-3 ,AMGJ[1], CRACMM mapping of AMGJ\n\nAKJ ,ug m-3 ,AKJ[1], CRACMM mapping of AKJ\n\nAMNJ ,ug m-3 ,AMNJ[1], CRACMM mapping of AMNJ\n\nACORS ,ug m-3 ,ACORS[1], CRACMM mapping of ACORS\n\nASOIL ,ug m-3 ,ASOIL[1], CRACMM mapping of ASOIL\n\nNUMATKN ,m-3 ,NUMATKN[1], CRACMM mapping of NUMATKN\n\nNUMACC ,m-3 ,NUMACC[1], CRACMM mapping of NUMACC\n\nNUMCOR ,m-3 ,NUMCOR[1], CRACMM mapping of NUMCOR\n\nSRFATKN ,m2 m-3 ,SRFATKN[1], CRACMM mapping of SRFATKN\n\nSRFACC ,m2 m-3 ,SRFACC[1], CRACMM mapping of SRFACC\n\nSRFCOR ,m2 m-3 ,SRFCOR[1], CRACMM mapping of SRFCOR\n\nAORGH2OJ ,ug m-3 ,AORGH2OJ[1], CRACMM mapping of AORGH2OJ\n\nAH2OJ ,ug m-3 ,AH2OJ[1], CRACMM mapping of AH2OJ\n\nAH2OI ,ug m-3 ,AH2OI[1], CRACMM mapping of AH2OI\n\nANAJ ,ug m-3 ,ANAJ[1], CRACMM mapping of ANAJ\n\nANAI ,ug m-3 ,ANAI[1], CRACMM mapping of ANAI\n\nACLJ ,ug m-3 ,ACLJ[1], CRACMM mapping of ACLJ\n\nACLI ,ug m-3 ,ACLI[1], CRACMM mapping of ACLI\n\nASEACAT ,ug m-3 ,ASEACAT[1], CRACMM mapping of ASEACAT\n\nACLK ,ug m-3 ,ACLK[1], CRACMM mapping of ACLK\n\nASO4K ,ug m-3 ,ASO4K[1], CRACMM mapping of ASO4K\n\nANH4K ,ug m-3 ,ANH4K[1], CRACMM mapping of ANH4K\n\nANO3K ,ug m-3 ,ANO3K[1], CRACMM mapping of ANO3K\n\nAH2OK ,ug m-3 ,AH2OK[1], CRACMM mapping of AH2OK\n\nAISO3OSJ ,ug m-3 ,AISO3J[1], CRACMM mapping of AISO3J\n\nAROCN2OXY2J ,ug m-3 ,AOLGAJ[1] + APCSOJ[1], CRACMM mapping of AOLGAJ and APCSOJ\n\nAISO3NOSJ ,ug m-3 ,AISO1J[1] + AISO2J[1] + AOLGBJ[1], CRACMM mapping of AISO1J and AISO2J and AOLGBJ\n\nAGLYJ ,ug m-3 ,AGLYJ[1], CRACMM mapping of AGLYJ\n\nAPOCI ,ug m-3 ,APOCI[1], CRACMM mapping of APOCI\n\nAPOCJ ,ug m-3 ,APOCJ[1], CRACMM mapping of APOCJ\n\nAPNCOMI ,ug m-3 ,APNCOMI[1], CRACMM mapping of APNCOMI\n\nAPNCOMJ ,ug m-3 ,APNCOMJ[1], CRACMM mapping of APNCOMJ\n\nAROCN1ALKI ,ug m-3 ,ALVPO1I[1], CRACMM mapping of ALVPO1I\n\nAROCP0ALKI ,ug m-3 ,ASVPO1I[1], CRACMM mapping of ASVPO1I\n\nAROCP1ALKI ,ug m-3 ,ASVPO2I[1], CRACMM mapping of ASVPO2I\n\nAROCN1ALKJ ,ug m-3 ,ALVPO1J[1], CRACMM mapping of ALVPO1J\n\nAROCP0ALKJ ,ug m-3 ,ASVPO1J[1], CRACMM mapping of ASVPO1J\n\nAROCP1ALKJ ,ug m-3 ,ASVPO2J[1], CRACMM mapping of ASVPO2J\n\nAROCP2ALKJ ,ug m-3 ,ASVPO3J[1], CRACMM mapping of ASVPO3J\n\nAROCP3ALKJ ,ug m-3 ,AIVPO1J[1], CRACMM mapping of AIVPO1J\n\nAROCN2OXY8I ,ug m-3 ,ALVOO1I[1], CRACMM mapping of ALVOO1I\n\nAROCN1OXY6I ,ug m-3 ,ALVOO2I[1], CRACMM mapping of ALVOO2I\n\nAROCP0OXY4I ,ug m-3 ,ASVOO1I[1], CRACMM mapping of ASVOO1I\n\nAROCP1OXY3I ,ug m-3 ,ASVOO2I[1], CRACMM mapping of ASVOO2I\n\nAROCN2OXY8J ,ug m-3 ,ALVOO1J[1] + AAVB1J[1], CRACMM mapping of ALVOO1J and AAVB1J\n\nAROCN1OXY6J ,ug m-3 ,ALVOO2J[1], CRACMM mapping of ALVOO2J\n\nAROCP0OXY4J ,ug m-3 ,ASVOO1J[1] + AAVB2J[1], CRACMM mapping of ASVOO1J and AAVB2J\n\nAROCP1OXY3J ,ug m-3 ,ASVOO2J[1] + AAVB3J[1], CRACMM mapping of ASVOO2J and AAVB3J\n\nAROCP2OXY2J ,ug m-3 ,ASVOO3J[1] + AAVB4J[1], CRACMM mapping of ASVOO3J and AAVB4J\n\nAHOMJ ,ug m-3 ,AMTNO3J[1] + AMTHYDJ[1]+ AMT1J[1] + AMT2J[1] + AMT3J[1], CRACMM mapping of all lower volatility terpene SOA \n\nNH3 ,ppmV ,NH3[1], CRACMM mapping of NH3\n\nHCL ,ppmV ,HCL[1], CRACMM mapping of HCL\n" }, { "path": "PREP/bcon/map2mech/SpecDef_cracmm2_derived_from_cb6r5m_ae7_aq.txt", "content": "/#start YYYYDDD HHMMSS\n/#end YYYYDDD HHMMSS\n/#layer KLAY (default is all layers)\n/\n\n! This Specices Definition File was generated for mapping \n! from CB6 to cracmm2\n! Any split factors were based on a 2017 emissions inventory analysis.\n\n\n/ File [1]: cb6r5m_ae7_aq BCON or ICON file to be mapped to cracmm1\n\n/new species, units, expression, description\n\nPRES ,Pa ,PRES[1], CRACMM mapping of PRES\n\nTA ,K ,TA[1], CRACMM mapping of TA\n\nRH ,1 ,RH[1], CRACMM mapping of RH\n\nW_VEL ,m s-1 ,W_VEL[1], CRACMM mapping of W_VEL\n\nNO2 ,ppmV ,NO2[1], CRACMM mapping of NO2\n\nNO ,ppmV ,NO[1], CRACMM mapping of NO\n\nO3P ,ppmV ,O[1], CRACMM mapping of O\n\nO3 ,ppmV ,O3[1], CRACMM mapping of O3\n\nNO3 ,ppmV ,NO3[1], CRACMM mapping of NO3\n\nO1D ,ppmV ,O1D[1], CRACMM mapping of O1D\n\nHO ,ppmV ,OH[1], CRACMM mapping of OH\n\nHO2 ,ppmV ,HO2[1], CRACMM mapping of HO2\n\nH2O2 ,ppmV ,H2O2[1], CRACMM mapping of H2O2\n\nN2O5 ,ppmV ,N2O5[1], CRACMM mapping of N2O5\n\nHNO3 ,ppmV ,HNO3[1], CRACMM mapping of HNO3\n\nHONO ,ppmV ,HONO[1], CRACMM mapping of HONO\n\nHNO4 ,ppmV ,PNA[1], CRACMM mapping of PNA\n\nSO2 ,ppmV ,SO2[1], CRACMM mapping of SO2\n\nSULF ,ppmV ,SULF[1], CRACMM mapping of SULF\n\nACO3 ,ppmV ,C2O3[1], CRACMM mapping of C2O3\n\nMO2 ,ppmV ,MEO2[1], CRACMM mapping of MEO2\n\nPAN ,ppmV ,PAN[1], CRACMM mapping of PAN\n\nPPN ,ppmV ,PANX[1], CRACMM mapping of PANX\n\nPAA ,ppmV ,PACD[1], CRACMM mapping of PACD\n\nORA2 ,ppmV ,AACD[1], CRACMM mapping of AACD\n\nRCO3 ,ppmV ,CXO3[1], CRACMM mapping of CXO3\n\nHCHO ,ppmV ,FORM[1], CRACMM mapping of FORM \n\nOP1 ,ppmV ,MEPX[1], CRACMM mapping of MEPX\n\nMOH ,ppmV ,MEOH[1], CRACMM mapping of MEOH\n\nOP2 ,ppmV ,ROOH[1], CRACMM mapping of ROOH\n\nONIT ,ppmV ,NTR1[1] + NTR2[1], CRACMM mapping of NTR1 and NTR2\n\nORA1 ,ppmV ,FACD[1], CRACMM mapping of FACD\n\nCO ,ppmV ,CO[1], CRACMM mapping of CO\n\nALD ,ppmV ,ALDX[1] + GLYD[1], CRACMM mapping of ALDX and GLYD\n\nUALD ,ppmV ,HPLD[1], CRACMM mapping of HPLD\n\nACD ,ppmV ,ALD2[1], CRACMM mapping of ALD2 \n\nGLY ,ppmV ,GLY[1], CRACMM mapping of GLY\n\nMGLY ,ppmV ,MGLY[1], CRACMM mapping of MGLY\n\nETH ,ppmV ,ETHA[1], CRACMM mapping of ETHA\n\nEOH ,ppmV ,ETOH[1], CRACMM mapping of ETOH\n\nMEK ,ppmV ,KET[1]*0.5, CRACMM splitting of KET (assumed equal)\n\nKET ,ppmV ,KET[1]*0.5, CRACMM splitting of KET (assumed equal)\n\nHC5 ,ppmV ,PAR[1]*0.33/5.0, CRACMM splitting of PAR based on emissions\n\nHC10 ,ppmV ,PAR[1]*0.67/10.0, CRACMM splitting of PAR based on emissions\n\nACT ,ppmV ,ACET[1], CRACMM mapping of ACET\n\nHC3 ,ppmV ,PRPA[1], CRACMM mapping of PRPA\n\nACE ,ppmV ,ETHY[1], CRACMM mapping of ETHY\n\nETE ,ppmV ,ETH[1], CRACMM mapping of ETH\n\nOLT ,ppmV ,OLE[1], CRACMM mapping of OLE\n\nOLI ,ppmV ,IOLE[1], CRACMM mapping of IOLE\n\nISO ,ppmV ,ISOP[1], CRACMM mapping of ISOP\n\nISOP ,ppmV ,ISO2[1], CRACMM mapping of ISO2\n\nACR ,ppmV ,ACROLEIN[1], CRACMM mapping of ACROLEIN \n\nMACR ,ppmV ,ISPD[1]*0.26, CRACMM mapping of ISPD\n\nMVK ,ppmV ,ISPD[1]*0.35, CRACMM mapping of ISPD\n\nHKET ,ppmV ,ISPD[1]*0.39, CRACMM mapping of ISPD\n\nISON ,ppmV ,INTR[1], CRACMM mapping of INTR\n\nISHP ,ppmV ,ISPX[1], CRACMM mapping of ISPX\n\nMACP ,ppmV ,OPO3[1], CRACMM mapping of OPO3\n\nIEPOX ,ppmV ,EPOX[1], CRACMM mapping of EPOX\n\nLIM ,ppmV ,TERP[1], CRACMM mapping of TERP\n\nAPI ,ppmV ,APIN[1], CRACMM mapping of APIN\n\nBEN ,ppmV ,BENZENE[1], CRACMM mapping of BENZENE\n\nCSL ,ppmV ,CRES[1] + CRON[1], CRACMM mapping of CRES and CRON\n\nBENP ,ppmV ,BZO2[1], CRACMM mapping of BZO2\n\nDCB2 ,ppmV ,OPEN[1], CRACMM mapping of OPEN (no direct match but OPEN is close)\n\nTOL ,ppmV ,TOL[1], CRACMM mapping of TOL\n\nTOLP ,ppmV ,TO2[1], CRACMM mapping of TO2\n\nXYL ,ppmV ,XYLMN[1]*0.85, CRACMM splitting of XYLMN based on emissions\n\nEBZ ,ppmV ,XYLMN[1]*0.10, CRACMM splitting of XYLMN based on emissions\n\nSTY ,ppmV ,XYLMN[1]*0.05, CRACMM splitting of XYLMN based on emissions\n\nXYLP ,ppmV ,XLO2[1]*0.85, CRACMM mapping of XLO2\n\nEBZP ,ppmV ,XLO2[1]*0.10, CRACMM mapping of XLO2\n\nSTYP ,ppmV ,XLO2[1]*0.05, CRACMM mapping of XLO2\n\nXO2 ,ppmV ,XO2[1], CRACMM mapping of XO2\n\nNAPH ,ppmV ,NAPH[1], CRACMM mapping of NAPH\n\nMCT ,ppmV ,CAT1[1], CRACMM mapping of CAT1\n\nMPAN ,ppmV ,OPAN[1], CRACMM mapping of OPAN\n\nSESQ ,ppmV ,SESQ[1], CRACMM mapping of SESQ\n\nVROCN1ALK ,ppmV ,VLVPO1[1], CRACMM mapping of VLVPO1\n\nVROCP0ALK ,ppmV ,VSVPO1[1], CRACMM mapping of VSVPO1\n\nVROCP1ALK ,ppmV ,VSVPO2[1], CRACMM mapping of VSVPO2\n\nVROCP2ALK ,ppmV ,VSVPO3[1], CRACMM mapping of VSVPO3\n\nVROCP3ALK ,ppmV ,VIVPO1[1], CRACMM mapping of VIVPO1\n\nVROCN2OXY8 ,ppmV ,VLVOO1[1] + SVAVB1[1], CRACMM mapping of VLVOO1 and SVAVB1\n\nVROCN1OXY6 ,ppmV ,VLVOO2[1], CRACMM mapping of VLVOO2\n\nVROCP0OXY4 ,ppmV ,VSVOO1[1] + SVAVB2[1], CRACMM mapping of VSVOO1 and SVAVB2\n\nVROCP1OXY3 ,ppmV ,VSVOO2[1] + SVAVB3[1] + SVSQT[1], CRACMM mapping of VSVOO2, SVAVB3, SVSQT\n\nVROCP2OXY2 ,ppmV ,VSVOO3[1] + SVAVB4[1], CRACMM mapping of VSVOO3 and SVAVB4\n\nBDE13 ,ppmV ,BUTADIENE13[1], CRACMM mapping of BUTADIENE13\n\nASO4J ,ug m-3 ,ASO4J[1], CRACMM mapping of ASO4J\n\nASO4I ,ug m-3 ,ASO4I[1], CRACMM mapping of ASO4I\n\nANH4J ,ug m-3 ,ANH4J[1], CRACMM mapping of ANH4J\n\nANH4I ,ug m-3 ,ANH4I[1], CRACMM mapping of ANH4I\n\nANO3J ,ug m-3 ,ANO3J[1], CRACMM mapping of ANO3J\n\nANO3I ,ug m-3 ,ANO3I[1], CRACMM mapping of ANO3I\n\nAROCP1OXY1J ,ug m-3 ,ASQTJ[1], CRACMM mapping of ASQTJ\n\nAORGCJ ,ug m-3 ,AORGCJ[1], CRACMM mapping of AORGCJ\n\nAECJ ,ug m-3 ,AECJ[1], CRACMM mapping of AECJ\n\nAECI ,ug m-3 ,AECI[1], CRACMM mapping of AECI\n\nAOTHRJ ,ug m-3 ,AOTHRJ[1], CRACMM mapping of AOTHRJ\n\nAOTHRI ,ug m-3 ,AOTHRI[1], CRACMM mapping of AOTHRI\n\nAFEJ ,ug m-3 ,AFEJ[1], CRACMM mapping of AFEJ\n\nAALJ ,ug m-3 ,AALJ[1], CRACMM mapping of AALJ\n\nASIJ ,ug m-3 ,ASIJ[1], CRACMM mapping of ASIJ\n\nATIJ ,ug m-3 ,ATIJ[1], CRACMM mapping of ATIJ\n\nACAJ ,ug m-3 ,ACAJ[1], CRACMM mapping of ACAJ\n\nAMGJ ,ug m-3 ,AMGJ[1], CRACMM mapping of AMGJ\n\nAKJ ,ug m-3 ,AKJ[1], CRACMM mapping of AKJ\n\nAMNJ ,ug m-3 ,AMNJ[1], CRACMM mapping of AMNJ\n\nACORS ,ug m-3 ,ACORS[1], CRACMM mapping of ACORS\n\nASOIL ,ug m-3 ,ASOIL[1], CRACMM mapping of ASOIL\n\nNUMATKN ,m-3 ,NUMATKN[1], CRACMM mapping of NUMATKN\n\nNUMACC ,m-3 ,NUMACC[1], CRACMM mapping of NUMACC\n\nNUMCOR ,m-3 ,NUMCOR[1], CRACMM mapping of NUMCOR\n\nSRFATKN ,m2 m-3 ,SRFATKN[1], CRACMM mapping of SRFATKN\n\nSRFACC ,m2 m-3 ,SRFACC[1], CRACMM mapping of SRFACC\n\nSRFCOR ,m2 m-3 ,SRFCOR[1], CRACMM mapping of SRFCOR\n\nAORGH2OJ ,ug m-3 ,AORGH2OJ[1], CRACMM mapping of AORGH2OJ\n\nAH2OJ ,ug m-3 ,AH2OJ[1], CRACMM mapping of AH2OJ\n\nAH2OI ,ug m-3 ,AH2OI[1], CRACMM mapping of AH2OI\n\nANAJ ,ug m-3 ,ANAJ[1], CRACMM mapping of ANAJ\n\nANAI ,ug m-3 ,ANAI[1], CRACMM mapping of ANAI\n\nACLJ ,ug m-3 ,ACLJ[1], CRACMM mapping of ACLJ\n\nACLI ,ug m-3 ,ACLI[1], CRACMM mapping of ACLI\n\nASEACAT ,ug m-3 ,ASEACAT[1], CRACMM mapping of ASEACAT\n\nACLK ,ug m-3 ,ACLK[1], CRACMM mapping of ACLK\n\nASO4K ,ug m-3 ,ASO4K[1], CRACMM mapping of ASO4K\n\nANH4K ,ug m-3 ,ANH4K[1], CRACMM mapping of ANH4K\n\nANO3K ,ug m-3 ,ANO3K[1], CRACMM mapping of ANO3K\n\nAH2OK ,ug m-3 ,AH2OK[1], CRACMM mapping of AH2OK\n\nAISO3OSJ ,ug m-3 ,AISO3J[1], CRACMM mapping of AISO3J\n\nAROCN2OXY2J ,ug m-3 ,AOLGAJ[1] + APCSOJ[1], CRACMM mapping of AOLGAJ and APCSOJ\n\nAISO3NOSJ ,ug m-3 ,AISO1J[1] + AISO2J[1] + AOLGBJ[1], CRACMM mapping of AISO1J and AISO2J and AOLGBJ\n\nAGLYJ ,ug m-3 ,AGLYJ[1], CRACMM mapping of AGLYJ\n\nAPOCI ,ug m-3 ,APOCI[1], CRACMM mapping of APOCI\n\nAPOCJ ,ug m-3 ,APOCJ[1], CRACMM mapping of APOCJ\n\nAPNCOMI ,ug m-3 ,APNCOMI[1], CRACMM mapping of APNCOMI\n\nAPNCOMJ ,ug m-3 ,APNCOMJ[1], CRACMM mapping of APNCOMJ\n\nAROCN1ALKI ,ug m-3 ,ALVPO1I[1], CRACMM mapping of ALVPO1I\n\nAROCP0ALKI ,ug m-3 ,ASVPO1I[1], CRACMM mapping of ASVPO1I\n\nAROCP1ALKI ,ug m-3 ,ASVPO2I[1], CRACMM mapping of ASVPO2I\n\nAROCN1ALKJ ,ug m-3 ,ALVPO1J[1], CRACMM mapping of ALVPO1J\n\nAROCP0ALKJ ,ug m-3 ,ASVPO1J[1], CRACMM mapping of ASVPO1J\n\nAROCP1ALKJ ,ug m-3 ,ASVPO2J[1], CRACMM mapping of ASVPO2J\n\nAROCP2ALKJ ,ug m-3 ,ASVPO3J[1], CRACMM mapping of ASVPO3J\n\nAROCP3ALKJ ,ug m-3 ,AIVPO1J[1], CRACMM mapping of AIVPO1J\n\nAROCN2OXY8I ,ug m-3 ,ALVOO1I[1], CRACMM mapping of ALVOO1I\n\nAROCN1OXY6I ,ug m-3 ,ALVOO2I[1], CRACMM mapping of ALVOO2I\n\nAROCP0OXY4I ,ug m-3 ,ASVOO1I[1], CRACMM mapping of ASVOO1I\n\nAROCP1OXY3I ,ug m-3 ,ASVOO2I[1], CRACMM mapping of ASVOO2I\n\nAROCN2OXY8J ,ug m-3 ,ALVOO1J[1] + AAVB1J[1], CRACMM mapping of ALVOO1J and AAVB1J\n\nAROCN1OXY6J ,ug m-3 ,ALVOO2J[1], CRACMM mapping of ALVOO2J\n\nAROCP0OXY4J ,ug m-3 ,ASVOO1J[1] + AAVB2J[1], CRACMM mapping of ASVOO1J and AAVB2J\n\nAROCP1OXY3J ,ug m-3 ,ASVOO2J[1] + AAVB3J[1], CRACMM mapping of ASVOO2J and AAVB3J\n\nAROCP2OXY2J ,ug m-3 ,ASVOO3J[1] + AAVB4J[1], CRACMM mapping of ASVOO3J and AAVB4J\n\nAHOMJ ,ug m-3 ,AMTNO3J[1] + AMTHYDJ[1]+ AMT1J[1] + AMT2J[1] + AMT3J[1], CRACMM mapping of all lower volatility terpene SOA \n\nNH3 ,ppmV ,NH3[1], CRACMM mapping of NH3\n\nHCL ,ppmV ,HCL[1], CRACMM mapping of HCL\n\nECH4 ,ppmV ,ECH4[1], CRACMM mapping of ECH4\n" }, { "path": "PREP/bcon/map2mech/SpecDef_racm2_ae6_aq_derived_from_cb6r3m_ae7_kmtbr.txt", "content": "/#start YYYYDDD HHMMSS\n/#end YYYYDDD HHMMSS\n/#layer KLAY (default is all layers)\n/\n\n! This Specices Definition File was generated for mapping \n! from CB6 to RACM2_ae6 for LISTOS_cracmmv1 testing.\n\n\n/ File [1]: CMAQ conc/aconc file\n\n/new species, units, expression, description\n\nPRES ,Pa ,PRES[1], RACM2 mapping of PRES\n\nZH ,m ,ZH[1], AVERAGE OF ZH\n\nTA ,m ,TA[1], RACM2 mapping of TA\n\nZF ,m ,ZF[1], AVERAGE OF ZF\n\nRH ,m ,RH[1], RACM2 mapping of RH\n\nW_VEL ,m ,W_VEL[1], RACM2 mapping of W_VEL\n\nNO2 ,ppmV ,NO2[1], RACM2 mapping of NO2\n\nNO ,ppmV ,NO[1], RACM2 mapping of NO\n\nO3P ,ppmV ,O[1], RACM2 mapping of O\n\nO3 ,ppmV ,O3[1], RACM2 mapping of O3\n\nNO3 ,ppmV ,NO3[1], RACM2 mapping of NO3\n\nO1D ,ppmV ,O1D[1], RACM2 mapping of O1D\n\nHO ,ppmV ,OH[1], RACM2 mapping of OH\n\nHO2 ,ppmV ,HO2[1], RACM2 mapping of HO2\n\nH2O2 ,ppmV ,H2O2[1], RACM2 mapping of H2O2\n\nN2O5 ,ppmV ,N2O5[1], RACM2 mapping of N2O5\n\nHNO3 ,ppmV ,HNO3[1], RACM2 mapping of HNO3\n\nHONO ,ppmV ,HONO[1], RACM2 mapping of HONO\n\nHNO4 ,ppmV ,PNA[1], RACM2 mapping of PNA\n\nSO2 ,ppmV ,SO2[1], RACM2 mapping of SO2\n\nSULF ,ppmV ,SULF[1], RACM2 mapping of SULF\n\nACO3 ,ppmV ,C2O3[1], RACM2 mapping of C2O3\n\nMO2 ,ppmV ,MEO2[1], RACM2 mapping of MEO2\n\nPAN ,ppmV ,PAN[1] + PANX[1], RACM2 mapping of PAN and PANX\n\nPAA ,ppmV ,PACD[1], RACM2 mapping of PACD\n\nORA2 ,ppmV ,AACD[1], RACM2 mapping of AACD\n\nRCO3 ,ppmV ,CXO3[1], RACM2 mapping of CXO3\n\nHCHO ,ppmV ,FORM[1], RACM2 mapping of FORM\n\nOP1 ,ppmV ,MEPX[1], RACM2 mapping of MEPX\n\nMOH ,ppmV ,MEOH[1], RACM2 mapping of MEOH\n\nOP2 ,ppmV ,ROOH[1], RACM2 mapping of ROOH\n\nETHP ,ppmV ,XPAR[1], RACM2 mapping of XPAR\n\nHC3P ,ppmV ,XPRP[1], RACM2 mapping of XPRP\n\nONIT ,ppmV ,NTR1[1] + NTR2[1], RACM2 mapping of NTR1 and NTR2\n\nORA1 ,ppmV ,FACD[1], RACM2 mapping of FACD\n\nCO ,ppmV ,CO[1], RACM2 mapping of CO\n\nALD ,ppmV ,ALDX[1] + GLYD[1], RACM2 mapping of ALDX and GLYD\n\nUALD ,ppmV ,HPLD[1], RACM2 mapping of HPLD\n\nACD ,ppmV ,ALD2[1], RACM2 mapping of ALD2 and ALD2_PRIMARY\n\nGLY ,ppmV ,GLY[1], RACM2 mapping of GLY\n\nMGLY ,ppmV ,MGLY[1], RACM2 mapping of MGLY\n\nETH ,ppmV ,ETHA[1], RACM2 mapping of ETHA\n\nEOH ,ppmV ,ETOH[1], RACM2 mapping of ETOH\n\nMEK ,ppmV ,KET[1]*0.5, RACM2 mapping of KET\n\nKET ,ppmV ,KET[1]*0.5, RACM2 mapping of KET\n\nHC5 ,ppmV ,PAR[1]*0.33, RACM2 splitting of PAR based on 2017 US emissions\n\nHC8 ,ppmV ,PAR[1]*0.67, RACM2 splitting of PAR based on 2017 US emissions\n\nACT ,ppmV ,ACET[1], RACM2 mapping of ACET\n\nHC3 ,ppmV ,PRPA[1], RACM2 mapping of PRPA\n\nACE ,ppmV ,ETHY[1], RACM2 mapping of ETHY\n\nETE ,ppmV ,ETH[1], RACM2 mapping of ETH\n\nOLT ,ppmV ,OLE[1], RACM2 mapping of OLE\n\nOLI ,ppmV ,IOLE[1], RACM2 mapping of IOLE\n\nISO ,ppmV ,ISOP[1], RACM2 mapping of ISOP\n\nISOP ,ppmV ,ISO2[1], RACM2 mapping of ISO2\n\nMACR ,ppmV ,ISPD[1]*0.26, RACM2 mapping of ISPD\n\nMVK ,ppmV ,ISPD[1]*0.35, RACM2 mapping of ISPD\n\nHKET ,ppmV ,ISPD[1]*0.39, RACM2 mapping of ISPD\n\nISON ,ppmV ,INTR[1], RACM2 mapping of INTR\n\nISHP ,ppmV ,ISPX[1], RACM2 mapping of ISPX\n\nMACP ,ppmV ,OPO3[1], RACM2 mapping of OPO3\n\nIEPOX ,ppmV ,EPOX[1], RACM2 mapping of EPOX\n\nLIM ,ppmV ,TERP[1], RACM2 mapping of TERP\n\nAPI ,ppmV ,APIN[1], RACM2 mapping of APIN\n\nBENZENE ,ppmV ,BENZENE[1], RACM2 mapping of BENZENE\n\nCSL ,ppmV ,CRES[1] + CRON[1], RACM2 mapping of CRES and CRON\n\nBENP ,ppmV ,BZO2[1], RACM2 mapping of BZO2\n\nDCB2 ,ppmV ,OPEN[1], RACM2 mapping of OPEN (no direct match but OPEN is close)\n\nBENZRO2 ,ppmV ,BENZRO2[1], RACM2 mapping of BENZRO2\n\nTOL ,ppmV ,TOL[1], RACM2 mapping of TOL\n\nTLP1 ,ppmV ,TO2[1], RACM2 mapping of TO2\n\nTOLRO2 ,ppmV ,TOLRO2[1], RACM2 mapping of TOLRO2\n\nXYM ,ppmV ,XYLMN[1]*0.35, RACM2 mapping of XYLMN\n\nXYO ,ppmV ,XYLMN[1]*0.30, RACM2 mapping of XYLMN \n\nXYP ,ppmV ,XYLMN[1]*0.35, RACM2 mapping of XYLMN\n\nXYLRO2 ,ppmV ,XYLRO2[1], RACM2 mapping of XYLRO2\n\nNAPH ,ppmV ,NAPH[1], RACM2 mapping of NAPH\n\nPAHRO2 ,ppmV ,PAHRO2[1], RACM2 mapping of PAHRO2\n\nMCT ,ppmV ,CAT1[1], RACM2 mapping of CAT1\n\nMPAN ,ppmV ,OPAN[1], RACM2 mapping of OPAN\n\nSESQ ,ppmV ,SESQ[1], RACM2 mapping of SESQ\n\nSOAALK ,ppmV ,SOAALK[1], RACM2 mapping of SOAALK\n\nVLVPO1 ,ppmV ,VLVPO1[1], RACM2 mapping of VLVPO1\n\nVSVPO1 ,ppmV ,VSVPO1[1], RACM2 mapping of VSVPO1\n\nVSVPO2 ,ppmV ,VSVPO2[1], RACM2 mapping of VSVPO2\n\nVSVPO3 ,ppmV ,VSVPO3[1], RACM2 mapping of VSVPO3\n\nVIVPO1 ,ppmV ,VIVPO1[1], RACM2 mapping of VIVPO1\n\nVLVOO1 ,ppmV ,VLVOO1[1], RACM2 mapping of VLVOO1\n\nVLVOO2 ,ppmV ,VLVOO2[1], RACM2 mapping of VLVOO2\n\nVSVOO1 ,ppmV ,VSVOO1[1], RACM2 mapping of VSVOO1\n\nVSVOO2 ,ppmV ,VSVOO2[1], RACM2 mapping of VSVOO2\n\nVSVOO3 ,ppmV ,VSVOO3[1], RACM2 mapping of VSVOO3\n\nPCVOC ,ppmV ,PCVOC[1], RACM2 mapping of PCVOC\n\nDIEN ,ppmV ,BUTADIENE13[1], RACM2 mapping of BUTADIENE13\n\nASO4J ,ug m-3 ,ASO4J[1], RACM2 mapping of ASO4J\n\nASO4I ,ug m-3 ,ASO4I[1], RACM2 mapping of ASO4I\n\nANH4J ,ug m-3 ,ANH4J[1], RACM2 mapping of ANH4J\n\nANH4I ,ug m-3 ,ANH4I[1], RACM2 mapping of ANH4I\n\nANO3J ,ug m-3 ,ANO3J[1], RACM2 mapping of ANO3J\n\nANO3I ,ug m-3 ,ANO3I[1], RACM2 mapping of ANO3I\n\nAISO1J ,ug m-3 ,AISO1J[1], RACM2 mapping of AISO1J\n\nAISO2J ,ug m-3 ,AISO2J[1], RACM2 mapping of AISO2J\n\nASQTJ ,ug m-3 ,ASQTJ[1], RACM2 mapping of ASQTJ\n\nAORGCJ ,ug m-3 ,AORGCJ[1], RACM2 mapping of AORGCJ\n\nAECJ ,ug m-3 ,AECJ[1], RACM2 mapping of AECJ\n\nAECI ,ug m-3 ,AECI[1], RACM2 mapping of AECI\n\nAOTHRJ ,ug m-3 ,AOTHRJ[1], RACM2 mapping of AOTHRJ\n\nAOTHRI ,ug m-3 ,AOTHRI[1], RACM2 mapping of AOTHRI\n\nAFEJ ,ug m-3 ,AFEJ[1], RACM2 mapping of AFEJ\n\nAALJ ,ug m-3 ,AALJ[1], RACM2 mapping of AALJ\n\nASIJ ,ug m-3 ,ASIJ[1], RACM2 mapping of ASIJ\n\nATIJ ,ug m-3 ,ATIJ[1], RACM2 mapping of ATIJ\n\nACAJ ,ug m-3 ,ACAJ[1], RACM2 mapping of ACAJ\n\nAMGJ ,ug m-3 ,AMGJ[1], RACM2 mapping of AMGJ\n\nAKJ ,ug m-3 ,AKJ[1], RACM2 mapping of AKJ\n\nAMNJ ,ug m-3 ,AMNJ[1], RACM2 mapping of AMNJ\n\nACORS ,ug m-3 ,ACORS[1], RACM2 mapping of ACORS\n\nASOIL ,ug m-3 ,ASOIL[1], RACM2 mapping of ASOIL\n\nNUMATKN ,m-3 ,NUMATKN[1], RACM2 mapping of NUMATKN\n\nNUMACC ,m-3 ,NUMACC[1], RACM2 mapping of NUMACC\n\nNUMCOR ,m-3 ,NUMCOR[1], RACM2 mapping of NUMCOR\n\nSRFATKN ,m2 m-3 ,SRFATKN[1], RACM2 mapping of SRFATKN\n\nSRFACC ,m2 m-3 ,SRFACC[1], RACM2 mapping of SRFACC\n\nSRFCOR ,m2 m-3 ,SRFCOR[1], RACM2 mapping of SRFCOR\n\nAH2OJ ,ug m-3 ,AH2OJ[1], RACM2 mapping of AH2OJ\n\nAH2OI ,ug m-3 ,AH2OI[1], RACM2 mapping of AH2OI\n\nAH3OPJ ,ug m-3 ,AH3OPJ[1], RACM2 mapping of AH3OPJ\n\nAH3OPI ,ug m-3 ,AH3OPI[1], RACM2 mapping of AH3OPI\n\nANAJ ,ug m-3 ,ANAJ[1], RACM2 mapping of ANAJ\n\nANAI ,ug m-3 ,ANAI[1], RACM2 mapping of ANAI\n\nACLJ ,ug m-3 ,ACLJ[1], RACM2 mapping of ACLJ\n\nACLI ,ug m-3 ,ACLI[1], RACM2 mapping of ACLI\n\nASEACAT ,ug m-3 ,ASEACAT[1], RACM2 mapping of ASEACAT\n\nACLK ,ug m-3 ,ACLK[1], RACM2 mapping of ACLK\n\nASO4K ,ug m-3 ,ASO4K[1], RACM2 mapping of ASO4K\n\nANH4K ,ug m-3 ,ANH4K[1], RACM2 mapping of ANH4K\n\nANO3K ,ug m-3 ,ANO3K[1], RACM2 mapping of ANO3K\n\nAH2OK ,ug m-3 ,AH2OK[1], RACM2 mapping of AH2OK\n\nAH3OPK ,ug m-3 ,AH3OPK[1], RACM2 mapping of AH3OPK\n\nAISO3J ,ug m-3 ,AISO3J[1], RACM2 mapping of AISO3J\n\nAOLGAJ ,ug m-3 ,AOLGAJ[1], RACM2 mapping of AOLGAJ\n\nAOLGBJ ,ug m-3 ,AOLGBJ[1], RACM2 mapping of AOLGBJ\n\nAPCSOJ ,ug m-3 ,APCSOJ[1], RACM2 mapping of APCSOJ\n\nAPOCI ,ug m-3 ,APOCI[1], RACM2 mapping of APOCI\n\nAPOCJ ,ug m-3 ,APOCJ[1], RACM2 mapping of APOCJ\n\nALVPO1I ,ug m-3 ,ALVPO1I[1], RACM2 mapping of ALVPO1I\n\nASVPO1I ,ug m-3 ,ASVPO1I[1], RACM2 mapping of ASVPO1I\n\nASVPO2I ,ug m-3 ,ASVPO2I[1], RACM2 mapping of ASVPO2I\n\nALVPO1J ,ug m-3 ,ALVPO1J[1], RACM2 mapping of ALVPO1J\n\nASVPO1J ,ug m-3 ,ASVPO1J[1], RACM2 mapping of ASVPO1J\n\nASVPO2J ,ug m-3 ,ASVPO2J[1], RACM2 mapping of ASVPO2J\n\nASVPO3J ,ug m-3 ,ASVPO3J[1], RACM2 mapping of ASVPO3J\n\nAIVPO1J ,ug m-3 ,AIVPO1J[1], RACM2 mapping of AIVPO1J\n\nALVOO1I ,ug m-3 ,ALVOO1I[1], RACM2 mapping of ALVOO1I\n\nALVOO2I ,ug m-3 ,ALVOO2I[1], RACM2 mapping of ALVOO2I\n\nASVOO1I ,ug m-3 ,ASVOO1I[1], RACM2 mapping of ASVOO1I\n\nASVOO2I ,ug m-3 ,ASVOO2I[1], RACM2 mapping of ASVOO2I\n\nALVOO1J ,ug m-3 ,ALVOO1J[1], RACM2 mapping of ALVOO1J\n\nALVOO2J ,ug m-3 ,ALVOO2J[1], RACM2 mapping of ALVOO2J\n\nASVOO1J ,ug m-3 ,ASVOO1J[1], RACM2 mapping of ASVOO1J\n\nASVOO2J ,ug m-3 ,ASVOO2J[1], RACM2 mapping of ASVOO2J\n\nASVOO3J ,ug m-3 ,ASVOO3J[1], RACM2 mapping of ASVOO3J\n\nAALK1J ,ug m-3 ,AAVB1J[1]*0.16, AE7 to AE6 Mapping \n\nABNZ1J ,ug m-3 ,AAVB1J[1]*0.16, AE7 to AE6 Mapping\n\nABNZ3J ,ug m-3 ,AAVB1J[1]*0.17, AE7 to AE6 Mapping\n\nATOL3J ,ug m-3 ,AAVB1J[1]*0.17, AE7 to AE6 Mapping\n\nAXYL3J ,ug m-3 ,AAVB1J[1]*0.17, AE7 to AE6 Mapping\n\nAPAH3J ,ug m-3 ,AAVB1J[1]*0.17, AE7 to AE6 Mapping\n\nAXYL1J ,ug m-3 ,AAVB2J[1]*0.33, AE7 to AE6 Mapping\n\nATOL1J ,ug m-3 ,AAVB2J[1]*0.33, AE7 to AE6 Mapping\n\nAPAH1J ,ug m-3 ,AAVB2J[1]*0.34, AE7 to AE6 Mapping\n\nATOL2J ,ug m-3 ,AAVB3J[1], RACM2 mapping of AAVB3J\n\nATRP1J ,ug m-3 ,AMT4J[1], RACM2 mapping of AMT4J\n\nATRP2J ,ug m-3 ,AMT5J[1], RACM2 mapping of AMT5J\n\nNH3 ,ppmV ,NH3[1], RACM2 mapping of NH3\n\nHCL ,ppmV ,HCL[1], RACM2 mapping of HCL\n\nSVISO1 ,ppmV ,SVISO1[1], RACM2 mapping of SVISO1\n\nSVISO2 ,ppmV ,SVISO2[1], RACM2 mapping of SVISO2\n\nSVSQT ,ppmV ,SVSQT[1], RACM2 mapping of SVSQT\n\nLVPCSOG ,ppmV ,LVPCSOG[1], RACM2 mapping of LVPCSOG\n\nSVTRP1 ,ppmV ,SVMT4[1], RACM2 mapping of SVMT4\n\nSVTRP2 ,ppmV ,SVMT5[1], RACM2 mapping of SVMT5\n\n" }, { "path": "PREP/bcon/map2mech/SpecDef_racm_ae6_aq_derived_from_cb6r3m_ae7_kmtbr.txt", "content": "/#start YYYYDDD HHMMSS\n/#end YYYYDDD HHMMSS\n/#layer KLAY (default is all layers)\n/\n\n! This Specices Definition File was generated using mapping \n! from CB6 for RACM_ae6.\n\n\n/ File [1]: CMAQ conc/aconc file\n\n/new species, units, expression, description\n\nPRES ,Pa ,PRES[1], AVERAGE OF PRES\n\nZH ,m ,ZH[1], AVERAGE OF ZH\n\nZF ,m ,ZF[1], AVERAGE OF ZF\n\nNO2 ,ppmV ,NO2[1], AVERAGE OF NO2\n\nNO ,ppmV ,NO[1], AVERAGE OF NO\n\nO3P ,ppmV ,O[1], AVERAGE OF O\n\nO3 ,ppmV ,O3[1], AVERAGE OF O3\n\nNO3 ,ppmV ,NO3[1], AVERAGE OF NO3\n\nO1D ,ppmV ,O1D[1], AVERAGE OF O1D\n\nHO ,ppmV ,OH[1], RACM mapping OF OH\n\nHO2 ,ppmV ,HO2[1], AVERAGE OF HO2\n\nH2O2 ,ppmV ,H2O2[1], AVERAGE OF H2O2\n\nN2O5 ,ppmV ,N2O5[1], AVERAGE OF N2O5\n\nHNO3 ,ppmV ,HNO3[1], AVERAGE OF HNO3\n\nHONO ,ppmV ,HONO[1], AVERAGE OF HONO\n\nHNO4 ,ppmV ,PNA[1], RACM mapping OF PNA\n\nSO2 ,ppmV ,SO2[1], AVERAGE OF SO2\n\nSULF ,ppmV ,SULF[1], AVERAGE OF SULF\n\nACO3 ,ppmV ,C2O3[1], RACM mapping OF C2O3\n\nMO2 ,ppmV ,MEO2[1], RACM mapping OF MEO2\n\nPAN ,ppmV ,PAN[1], AVERAGE OF PAN\n\nPAA ,ppmV ,PACD[1], RACM mapping OF PACD\n\nORA2 ,ppmV ,AACD[1], RACM mapping OF AACD\n\nRCO3 ,ppmV ,CXO3[1], RACM mapping OF CXO3\n\nPPN ,ppmV ,PANX[1], RACM mapping OF PANX\n\nHCHO ,ppmV ,FORM[1], RACM mapping OF FORM\n\nOP1 ,ppmV ,MEPX[1], RACM mapping OF MEPX\n\nMOH ,ppmV ,MEOH[1], RACM mapping OF MEOH\n\nOP2 ,ppmV ,ROOH[1], RACM mapping OF ROOH\n\nETHP ,ppmV ,XPAR[1], RACM mapping OF XPAR\n\nHC3P ,ppmV ,XPRP[1], RACM mapping OF XPRP\n\nONIT ,ppmV ,NTR1[1] + NTR2[1], ONIT is sum of NTR1+NTR2 in RACM\n\nORA1 ,ppmV ,FACD[1], RACM mapping OF FACD\n\nCO ,ppmV ,CO[1], AVERAGE OF CO\n\nALD ,ppmV ,ALDX[1], RACM mapping OF ALDX\n\nACD ,ppmV ,GLYD[1] + ALD2[1], RACM mapping OF GLYD\n\nGLY ,ppmV ,GLY[1], AVERAGE OF GLY\n\nMGLY ,ppmV ,MGLY[1], AVERAGE OF MGLY\n\nETH ,ppmV ,ETHA[1], RACM mapping OF ETHA\n\nEOH ,ppmV ,ETOH[1], RACM OF ETOH\n\nMEK ,ppmV ,KET[1]*0.5, RACM mapping OF KET\n\nKET ,ppmV ,KET[1]*0.5, RACM mapping OF KET\n\nHC5 ,ppmV ,PAR[1]*0.5, PAR Split equally in RACM\n\nHC8 ,ppmV ,PAR[1]*0.5, PAR Split equally in RACM\n\nACT ,ppmV ,ACET[1], RACM mapping OF ACET\n\nHC3 ,ppmV ,PRPA[1], RACM mapping OF PRPA\n\nACE ,ppmV ,ETHY[1], RACM mapping OF ETHY\n\nETE ,ppmV ,ETH[1], RACM mapping OF ETH\n\nOLT ,ppmV ,OLE[1], RACM mapping of OLE\n\nOLI ,ppmV ,IOLE[1], RACM mapping OF IOLE\n\nISO ,ppmV ,ISOP[1], RACM mapping OF ISOP\n\nISOP ,ppmV ,ISO2[1], RACM mapping OF ISO2\n\nMACR ,ppmV ,ISPD[1]*0.26, RACM mapping OF ISPD\n\nMVK ,ppmV ,ISPD[1]*0.35, RACM mapping OF ISPD\n\nHKET ,ppmV ,ISPD[1]*0.39, RACM mapping OF ISPD\n\nISON ,ppmV ,INTR[1], RACM mapping of INTR\n\nISHP ,ppmV ,ISPX[1], RACM mapping OF ISPX\n\nMACP ,ppmV ,OPO3[1], RACM mapping OF OPO3\n\nIEPOX ,ppmV ,EPOX[1], RACM mapping OF EPOX\n\nLIM ,ppmV ,TERP[1], Terpene spcies other than apin in RACM\n\nAPI ,ppmV ,APIN[1], RACM mapping OF APIN\n\nBENZENE ,ppmV ,BENZENE[1], AVERAGE OF BENZENE\n\nCSL ,ppmV ,CRES[1], RACM mapping OF CRES\n\nBENP ,ppmV ,BZO2[1], RACM mapping OF BZO2\n\nDCB2 ,ppmV ,OPEN[1] + XOPN[1], No direct match but OPEN and XOPN are close in RACM\n\nBENZRO2 ,ppmV ,BENZRO2[1], AVERAGE OF BENZRO2\n\nTOL ,ppmV ,TOL[1], RACM mapping OF TOL\n\nTLP1 ,ppmV ,TO2[1], RACM mapping OF TO2\n\nTOLRO2 ,ppmV ,TOLRO2[1], AVERAGE OF TOLRO2\n\nXYM ,ppmV ,XYLMN[1]*0.35, RACM mapping OF XYLMN\n\nXYO ,ppmV ,XYLMN[1]*0.30, RACM mapping OF XYLMN \n\nXYP ,ppmV ,XYLMN[1]*0.35, RACM mapping of XYLMN\n\nXYLRO2 ,ppmV ,XYLRO2[1], AVERAGE OF XYLRO2\n\nNAPH ,ppmV ,NAPH[1], RACM mapping OF NAPH\n\nPAHRO2 ,ppmV ,PAHRO2[1], AVERAGE OF PAHRO2\n\nMCT ,ppmV ,CAT1[1], RACM mapping OF CAT1\n\nMPAN ,ppmV ,OPAN[1], RACM mapping OF OPAN\n\nSESQ ,ppmV ,SESQ[1], AVERAGE OF SESQ\n\nSOAALK ,ppmV ,SOAALK[1], AVERAGE OF SOAALK\n\nVLVPO1 ,ppmV ,VLVPO1[1], AVERAGE OF VLVPO1\n\nVSVPO1 ,ppmV ,VSVPO1[1], AVERAGE OF VSVPO1\n\nVSVPO2 ,ppmV ,VSVPO2[1], AVERAGE OF VSVPO2\n\nVSVPO3 ,ppmV ,VSVPO3[1], AVERAGE OF VSVPO3\n\nVIVPO1 ,ppmV ,VIVPO1[1], AVERAGE OF VIVPO1\n\nVLVOO1 ,ppmV ,VLVOO1[1], AVERAGE OF VLVOO1\n\nVLVOO2 ,ppmV ,VLVOO2[1], AVERAGE OF VLVOO2\n\nVSVOO1 ,ppmV ,VSVOO1[1], AVERAGE OF VSVOO1\n\nVSVOO2 ,ppmV ,VSVOO2[1], AVERAGE OF VSVOO2\n\nVSVOO3 ,ppmV ,VSVOO3[1], AVERAGE OF VSVOO3\n\nPCVOC ,ppmV ,PCVOC[1], AVERAGE OF PCVOC\n\nDIEN ,ppmV ,BUTADIENE13[1], RACM mapping OF BUTADIENE13\n\nASO4J ,ug m-3 ,ASO4J[1], AVERAGE OF ASO4J\n\nASO4I ,ug m-3 ,ASO4I[1], AVERAGE OF ASO4I\n\nANH4J ,ug m-3 ,ANH4J[1], AVERAGE OF ANH4J\n\nANH4I ,ug m-3 ,ANH4I[1], AVERAGE OF ANH4I\n\nANO3J ,ug m-3 ,ANO3J[1], AVERAGE OF ANO3J\n\nANO3I ,ug m-3 ,ANO3I[1], AVERAGE OF ANO3I\n\nAISO1J ,ug m-3 ,AISO1J[1], AVERAGE OF AISO1J\n\nAISO2J ,ug m-3 ,AISO2J[1], AVERAGE OF AISO2J\n\nASQTJ ,ug m-3 ,ASQTJ[1], AVERAGE OF ASQTJ\n\nAORGCJ ,ug m-3 ,AORGCJ[1], AVERAGE OF AORGCJ\n\nAECJ ,ug m-3 ,AECJ[1], AVERAGE OF AECJ\n\nAECI ,ug m-3 ,AECI[1], AVERAGE OF AECI\n\nAOTHRJ ,ug m-3 ,AOTHRJ[1], AVERAGE OF AOTHRJ\n\nAOTHRI ,ug m-3 ,AOTHRI[1], AVERAGE OF AOTHRI\n\nAFEJ ,ug m-3 ,AFEJ[1], AVERAGE OF AFEJ\n\nAALJ ,ug m-3 ,AALJ[1], AVERAGE OF AALJ\n\nASIJ ,ug m-3 ,ASIJ[1], AVERAGE OF ASIJ\n\nATIJ ,ug m-3 ,ATIJ[1], AVERAGE OF ATIJ\n\nACAJ ,ug m-3 ,ACAJ[1], AVERAGE OF ACAJ\n\nAMGJ ,ug m-3 ,AMGJ[1], AVERAGE OF AMGJ\n\nAKJ ,ug m-3 ,AKJ[1], AVERAGE OF AKJ\n\nAMNJ ,ug m-3 ,AMNJ[1], AVERAGE OF AMNJ\n\nACORS ,ug m-3 ,ACORS[1], AVERAGE OF ACORS\n\nASOIL ,ug m-3 ,ASOIL[1], AVERAGE OF ASOIL\n\nNUMATKN ,m-3 ,NUMATKN[1], AVERAGE OF NUMATKN\n\nNUMACC ,m-3 ,NUMACC[1], AVERAGE OF NUMACC\n\nNUMCOR ,m-3 ,NUMCOR[1], AVERAGE OF NUMCOR\n\nSRFATKN ,m2 m-3 ,SRFATKN[1], AVERAGE OF SRFATKN\n\nSRFACC ,m2 m-3 ,SRFACC[1], AVERAGE OF SRFACC\n\nSRFCOR ,m2 m-3 ,SRFCOR[1], AVERAGE OF SRFCOR\n\nAH2OJ ,ug m-3 ,AH2OJ[1], AVERAGE OF AH2OJ\n\nAH2OI ,ug m-3 ,AH2OI[1], AVERAGE OF AH2OI\n\nAH3OPJ ,ug m-3 ,AH3OPJ[1], AVERAGE OF AH3OPJ\n\nAH3OPI ,ug m-3 ,AH3OPI[1], AVERAGE OF AH3OPI\n\nANAJ ,ug m-3 ,ANAJ[1], AVERAGE OF ANAJ\n\nANAI ,ug m-3 ,ANAI[1], AVERAGE OF ANAI\n\nACLJ ,ug m-3 ,ACLJ[1], AVERAGE OF ACLJ\n\nACLI ,ug m-3 ,ACLI[1], AVERAGE OF ACLI\n\nASEACAT ,ug m-3 ,ASEACAT[1], AVERAGE OF ASEACAT\n\nACLK ,ug m-3 ,ACLK[1], AVERAGE OF ACLK\n\nASO4K ,ug m-3 ,ASO4K[1], AVERAGE OF ASO4K\n\nANH4K ,ug m-3 ,ANH4K[1], AVERAGE OF ANH4K\n\nANO3K ,ug m-3 ,ANO3K[1], AVERAGE OF ANO3K\n\nAH2OK ,ug m-3 ,AH2OK[1], AVERAGE OF AH2OK\n\nAH3OPK ,ug m-3 ,AH3OPK[1], AVERAGE OF AH3OPK\n\nAISO3J ,ug m-3 ,AISO3J[1], AVERAGE OF AISO3J\n\nAOLGAJ ,ug m-3 ,AOLGAJ[1], AVERAGE OF AOLGAJ\n\nAOLGBJ ,ug m-3 ,AOLGBJ[1], AVERAGE OF AOLGBJ\n\nAPCSOJ ,ug m-3 ,APCSOJ[1], AVERAGE OF APCSOJ\n\nALVPO1I ,ug m-3 ,ALVPO1I[1], AVERAGE OF ALVPO1I\n\nASVPO1I ,ug m-3 ,ASVPO1I[1], AVERAGE OF ASVPO1I\n\nASVPO2I ,ug m-3 ,ASVPO2I[1], AVERAGE OF ASVPO2I\n\nALVPO1J ,ug m-3 ,ALVPO1J[1], AVERAGE OF ALVPO1J\n\nASVPO1J ,ug m-3 ,ASVPO1J[1], AVERAGE OF ASVPO1J\n\nASVPO2J ,ug m-3 ,ASVPO2J[1], AVERAGE OF ASVPO2J\n\nASVPO3J ,ug m-3 ,ASVPO3J[1], AVERAGE OF ASVPO3J\n\nAIVPO1J ,ug m-3 ,AIVPO1J[1], AVERAGE OF AIVPO1J\n\nALVOO1I ,ug m-3 ,ALVOO1I[1], AVERAGE OF ALVOO1I\n\nALVOO2I ,ug m-3 ,ALVOO2I[1], AVERAGE OF ALVOO2I\n\nASVOO1I ,ug m-3 ,ASVOO1I[1], AVERAGE OF ASVOO1I\n\nASVOO2I ,ug m-3 ,ASVOO2I[1], AVERAGE OF ASVOO2I\n\nALVOO1J ,ug m-3 ,ALVOO1J[1], AVERAGE OF ALVOO1J\n\nALVOO2J ,ug m-3 ,ALVOO2J[1], AVERAGE OF ALVOO2J\n\nASVOO1J ,ug m-3 ,ASVOO1J[1], AVERAGE OF ASVOO1J\n\nASVOO2J ,ug m-3 ,ASVOO2J[1], AVERAGE OF ASVOO2J\n\nASVOO3J ,ug m-3 ,ASVOO3J[1], AVERAGE OF ASVOO3J\n\nAALK1J ,ug m-3 ,AAVB1J[1]*0.16, AE7 to AE6 Mapping \n\nABNZ1J ,ug m-3 ,AAVB1J[1]*0.16, AE7 to AE6 Mapping\n\nABNZ3J ,ug m-3 ,AAVB1J[1]*0.17, AE7 to AE6 Mapping\n\nATOL3J ,ug m-3 ,AAVB1J[1]*0.17, AE7 to AE6 Mapping\n\nAXYL3J ,ug m-3 ,AAVB1J[1]*0.17, AE7 to AE6 Mapping\n\nAPAH3J ,ug m-3 ,AAVB1J[1]*0.17, AE7 to AE6 Mapping\n\nAXYL1J ,ug m-3 ,AAVB2J[1]*0.33, AE7 to AE6 Mapping\n\nATOL1J ,ug m-3 ,AAVB2J[1]*0.33, AE7 to AE6 Mapping\n\nAPAH1J ,ug m-3 ,AAVB2J[1]*0.34, AE7 to AE6 Mapping\n\nATOL2J ,ug m-3 ,AAVB3J[1], RACM mapping OF AAVB3J\n\nATRP1J ,ug m-3 ,AMT4J[1], RACM mapping OF AMT4J\n\nATRP2J ,ug m-3 ,AMT5J[1], RACM mapping OF AMT5J\n\nNH3 ,ppmV ,NH3[1], AVERAGE OF NH3\n\nSVISO1 ,ppmV ,SVISO1[1], AVERAGE OF SVISO1\n\nSVISO2 ,ppmV ,SVISO2[1], AVERAGE OF SVISO2\n\nSVSQT ,ppmV ,SVSQT[1], AVERAGE OF SVSQT\n\nLVPCSOG ,ppmV ,LVPCSOG[1], AVERAGE OF LVPCSOG\n\nSVTRP1 ,ppmV ,SVMT4[1], RACM mapping OF SVMT4\n\nSVTRP2 ,ppmV ,SVMT5[1], RACM mapping OF SVMT5\n\n" }, { "path": "PREP/bcon/map2mech/SpecDef_saprc07tc_ae6_aq_derived_from_cb6r3m_ae7_kmtbr.txt", "content": "/#start YYYYDDD HHMMSS\n/#end YYYYDDD HHMMSS\n/#layer KLAY (default is all layers)\n/\n\n! This Specices Definition File was generated using mapping \n! from CB6 for SAPRC07tc_ae6.\n\n\n/ File [1]: CMAQ conc/aconc file\n/new species, units, expression, description\n\nPRES ,Pa ,PRES[1], AVERAGE OF PRES\n\nZH ,m ,ZH[1], AVERAGE OF ZH\n\nZF ,m ,ZF[1], AVERAGE OF ZF\n\nNO2 ,ppmV ,NO2[1], AVERAGE OF NO2\n\nNO ,ppmV ,NO[1], AVERAGE OF NO\n\nO3P ,ppmV ,O[1], AVERAGE OF O\n\nO3 ,ppmV ,O3[1], AVERAGE OF O3\n\nNO3 ,ppmV ,NO3[1], AVERAGE OF NO3\n\nO1D ,ppmV ,O1D[1], AVERAGE OF O1D\n\nOH ,ppmV ,OH[1], AVERAGE OF OH\n\nHO2 ,ppmV ,HO2[1], AVERAGE OF HO2\n\nHO2H ,ppmV ,H2O2[1], SAPRC07tc mapping OF H2O2\n\nN2O5 ,ppmV ,N2O5[1], AVERAGE OF N2O5\n\nHNO3 ,ppmV ,HNO3[1], AVERAGE OF HNO3\n\nHONO ,ppmV ,HONO[1], AVERAGE OF HONO\n\nHNO4 ,ppmV ,PNA[1], SAPRC07tc mapping OF PNA\n\nSO2 ,ppmV ,SO2[1], AVERAGE OF SO2\n\nSULF ,ppmV ,SULF[1], AVERAGE OF SULF\n\nMECO3 ,ppmV ,C2O3[1], SAPRC07tc mapping OF C2O3\n\nMEO2 ,ppmV ,MEO2[1], AVERAGE OF MEO2\n\nPAN ,ppmV ,PAN[1], AVERAGE OF PAN\n\nCCOOOH ,ppmV ,PACD[1], SAPRC07tc mapping OF PACD\n\nCCOOH ,ppmV ,AACD[1], SAPRC07tc mapping OF AACD\n\nRCO3 ,ppmV ,CXO3[1], SAPRC07tc mapping OF CXO3\n\nCCHO ,ppmV ,ALD2[1], SAPRC07tc mapping OF ALD2\n\nPAN2 ,ppmV ,PANX[1], SAPRC07tc mapping OF PANX\n\nHCHO ,ppmV ,FORM[1], SAPRC07tc mapping OF FORM\n\nCOOH ,ppmV ,MEPX[1], SAPRC07tc mapping OF MEPX\n\nMEOH ,ppmV ,MEOH[1], AVERAGE OF MEOH\n\nROOH ,ppmV ,ROOH[1], AVERAGE OF ROOH\n\nRNO3 ,ppmV ,NTR1[1] + NTR2[1] + INTR [1], RNO3 is sum of NTR1+NTR2 in SAPRC07tc\n\nHCOOH ,ppmV ,FACD[1], SAPRC07tc mapping OF FACD\n\nCO ,ppmV ,CO[1], AVERAGE OF CO\n\nRCHO ,ppmV ,ALDX[1], SAPRC07tc mapping OF ALDX\n\nHOCCHO ,ppmV ,GLYD[1], SAPRC07tc mapping OF GLYD\n\nGLY ,ppmV ,GLY[1], AVERAGE OF GLY\n\nMGLY ,ppmV ,MGLY[1], AVERAGE OF MGLY\n\nALK1 ,ppmV ,ETHA[1], SAPRC07tc mapping OF ETHA\n\nETOH ,ppmV ,ETOH[1], AVERAGE OF ETOH\n\nMEK ,ppmV ,KET[1], SAPRC07tc mapping OF KET\n\nALK3 ,ppmV ,PAR[1]*0.33, PAR Split equally into remaning alkanes in SAPRAC07\n\nALK4 ,ppmV ,PAR[1]*0.33, PAR Split equally into remaning alkanes in SAPRAC07\n\nALK5 ,ppmV ,PAR[1]*0.34, PAR Split equally into remaning alkanes in SAPRAC07\n\nACETONE ,ppmV ,ACET[1], SAPRC07tc mapping OF ACET\n\nALK2 ,ppmV ,PRPA[1], SAPRC07tc mapping OF PRPA\n\nACETYLENE ,ppmV ,ETHY[1], SAPRC07tc mapping OF ETHY\n\nETHENE ,ppmV ,ETH[1], SAPRC07tc mapping OF ETH\n\nOLE1 ,ppmV ,OLE[1]*0.71, 71% of OLE1 is non-propene in SAPRAC07\n\nPROPENE ,ppmV ,OLE[1]*0.29, 29% of OLE is propene in SAPRAC07\n\nOLE2 ,ppmV ,IOLE[1], SAPRC07tc mapping OF IOLE\n\nISOPRENE ,ppmV ,ISOP[1], SAPRC07tc mapping OF ISOP\n\nMACR ,ppmV ,ISPD[1]*0.26, SAPRC07tc mapping OF ISPD\n\nMVK ,ppmV ,ISPD[1]*0.35, SAPRC07tc mapping OF ISPD\n\nIPRD ,ppmV ,ISPD[1]*0.39, SAPRC07tc mapping OF ISPD\n\nISOPOOH ,ppmV ,ISPX[1], SAPRC07tc mapping OF ISPX\n\nMACO3 ,ppmV ,OPO3[1], SAPRC07tc mapping OF OPO3\n\nIEPOX ,ppmV ,EPOX[1], SAPRC07tc mapping OF EPOX\n\nIEPOXOO ,ppmV ,EPX2[1], SAPRC07tc mapping OF EPX2\n\nTERP ,ppmV ,TERP[1], AVERAGE OF TERP\n\nAPIN ,ppmV ,APIN[1], AVERAGE OF APIN\n\nBENZENE ,ppmV ,BENZENE[1], AVERAGE OF BENZENE\n\nCRES ,ppmV ,CRES[1], AVERAGE OF CRES\n\nAFG1 ,ppmV ,OPEN[1]*0.50, unsaturated aldehydes from aromatic of OPEN in SAPRAC07\n\nAFG2 ,ppmV ,OPEN[1]*0.50, unsaturated aldehydes from aromatic of OPEN in SAPRAC07\n\nBENZRO2 ,ppmV ,BENZRO2[1], AVERAGE OF BENZRO2\n\nARO1 ,ppmV ,TOL[1], 75% of TOL in SAPRAC07; rest not listed explicitly\n\nTOLRO2 ,ppmV ,TOLRO2[1], AVERAGE OF TOLRO2\n\nAFG3 ,ppmV ,XOPN[1], SAPRC07tc mapping OF XOPN\n\nARO2MN ,ppmV ,XYLMN[1]*0.58, SAPRC07tc mapping OF XYLMN\n\nMXYL ,ppmV ,XYLMN[1]*0.13, m-xylene is 13% of ARO2 in SAPRC07\n\nOXYL ,ppmV ,XYLMN[1]*0.11, o-xylene is 11% of ARO2 in SAPRC07\n\nPXYL ,ppmV ,XYLMN[1]*0.13, p-xylene is 13% of ARO2 in SAPRC07\n\nTMBENZ124 ,ppmV ,XYLMN[1]*0.05, 1,2,4-TMB is 5% of ARO2 in SAPRC07\n\nXYLRO2 ,ppmV ,XYLRO2[1], AVERAGE OF XYLRO2\n\nNAPHTHAL ,ppmV ,NAPH[1], SAPRC07tc mapping OF NAPH\n\nPAHRO2 ,ppmV ,PAHRO2[1], AVERAGE OF PAHRO2\n\nBZO ,ppmV ,CRO[1], SAPRC07tc mapping OF CRO\n\nNPHE ,ppmV ,CRON[1], SAPRC07tc mapping OF CRON\n\nMAPAN ,ppmV ,OPAN[1], SAPRC07tc mapping OF OPAN\n\nCL2 ,ppmV ,CL2[1], AVERAGE OF CL2\n\nCL ,ppmV ,CL[1], AVERAGE OF CL\n\nCLO ,ppmV ,CLO[1], AVERAGE OF CLO\n\nCLCHO ,ppmV ,FMCL[1], SAPRC07tc mapping OF FMCL\n\nHCL ,ppmV ,HCL[1], AVERAGE OF HCL\n\nCLNO2 ,ppmV ,CLNO2[1], AVERAGE OF CLNO2\n\nCLONO2 ,ppmV ,CLNO3[1], SAPRC07tc mapping OF CLNO3\n\nSESQ ,ppmV ,SESQ[1], AVERAGE OF SESQ\n\nSOAALK ,ppmV ,SOAALK[1], AVERAGE OF SOAALK\n\nH2NO3PIJ ,ppmV ,H2NO3PIJ[1], AVERAGE OF H2NO3PIJ\n\nH2NO3PK ,ppmV ,H2NO3PK[1], AVERAGE OF H2NO3PK\n\nVLVPO1 ,ppmV ,VLVPO1[1], AVERAGE OF VLVPO1\n\nVSVPO1 ,ppmV ,VSVPO1[1], AVERAGE OF VSVPO1\n\nVSVPO2 ,ppmV ,VSVPO2[1], AVERAGE OF VSVPO2\n\nVSVPO3 ,ppmV ,VSVPO3[1], AVERAGE OF VSVPO3\n\nVIVPO1 ,ppmV ,VIVPO1[1], AVERAGE OF VIVPO1\n\nVLVOO1 ,ppmV ,VLVOO1[1], AVERAGE OF VLVOO1\n\nVLVOO2 ,ppmV ,VLVOO2[1], AVERAGE OF VLVOO2\n\nVSVOO1 ,ppmV ,VSVOO1[1], AVERAGE OF VSVOO1\n\nVSVOO2 ,ppmV ,VSVOO2[1], AVERAGE OF VSVOO2\n\nVSVOO3 ,ppmV ,VSVOO3[1], AVERAGE OF VSVOO3\n\nPCVOC ,ppmV ,PCVOC[1], AVERAGE OF PCVOC\n\nHCHO_PRIMARY ,ppmV ,FORM_PRIMARY[1], SAPRC07tc mapping OF FORM_PRIMARY\n\nCCHO_PRIMARY ,ppmV ,ALD2_PRIMARY[1], SAPRC07tc mapping OF ALD2_PRIMARY\n\nBUTADIENE13 ,ppmV ,BUTADIENE13[1], AVERAGE OF BUTADIENE13\n\nACROLEIN ,ppmV ,ACROLEIN[1], AVERAGE OF ACROLEIN\n\nACRO_PRIMARY ,ppmV ,ACRO_PRIMARY[1], AVERAGE OF ACRO_PRIMARY\n\nTOLUENE ,ppmV ,TOLU[1], SAPRC07tc mapping OF TOLU\n\nASO4J ,ug m-3 ,ASO4J[1], AVERAGE OF ASO4J\n\nASO4I ,ug m-3 ,ASO4I[1], AVERAGE OF ASO4I\n\nANH4J ,ug m-3 ,ANH4J[1], AVERAGE OF ANH4J\n\nANH4I ,ug m-3 ,ANH4I[1], AVERAGE OF ANH4I\n\nANO3J ,ug m-3 ,ANO3J[1], AVERAGE OF ANO3J\n\nANO3I ,ug m-3 ,ANO3I[1], AVERAGE OF ANO3I\n\nAISO1J ,ug m-3 ,AISO1J[1], AVERAGE OF AISO1J\n\nAISO2J ,ug m-3 ,AISO2J[1], AVERAGE OF AISO2J\n\nASQTJ ,ug m-3 ,ASQTJ[1], AVERAGE OF ASQTJ\n\nAORGCJ ,ug m-3 ,AORGCJ[1], AVERAGE OF AORGCJ\n\nAECJ ,ug m-3 ,AECJ[1], AVERAGE OF AECJ\n\nAECI ,ug m-3 ,AECI[1], AVERAGE OF AECI\n\nAOTHRJ ,ug m-3 ,AOTHRJ[1], AVERAGE OF AOTHRJ\n\nAOTHRI ,ug m-3 ,AOTHRI[1], AVERAGE OF AOTHRI\n\nAFEJ ,ug m-3 ,AFEJ[1], AVERAGE OF AFEJ\n\nAALJ ,ug m-3 ,AALJ[1], AVERAGE OF AALJ\n\nASIJ ,ug m-3 ,ASIJ[1], AVERAGE OF ASIJ\n\nATIJ ,ug m-3 ,ATIJ[1], AVERAGE OF ATIJ\n\nACAJ ,ug m-3 ,ACAJ[1], AVERAGE OF ACAJ\n\nAMGJ ,ug m-3 ,AMGJ[1], AVERAGE OF AMGJ\n\nAKJ ,ug m-3 ,AKJ[1], AVERAGE OF AKJ\n\nAMNJ ,ug m-3 ,AMNJ[1], AVERAGE OF AMNJ\n\nACORS ,ug m-3 ,ACORS[1], AVERAGE OF ACORS\n\nASOIL ,ug m-3 ,ASOIL[1], AVERAGE OF ASOIL\n\nNUMATKN ,m-3 ,NUMATKN[1], AVERAGE OF NUMATKN\n\nNUMACC ,m-3 ,NUMACC[1], AVERAGE OF NUMACC\n\nNUMCOR ,m-3 ,NUMCOR[1], AVERAGE OF NUMCOR\n\nSRFATKN ,m2 m-3 ,SRFATKN[1], AVERAGE OF SRFATKN\n\nSRFACC ,m2 m-3 ,SRFACC[1], AVERAGE OF SRFACC\n\nSRFCOR ,m2 m-3 ,SRFCOR[1], AVERAGE OF SRFCOR\n\nAH2OJ ,ug m-3 ,AH2OJ[1], AVERAGE OF AH2OJ\n\nAH2OI ,ug m-3 ,AH2OI[1], AVERAGE OF AH2OI\n\nAH3OPJ ,ug m-3 ,AH3OPJ[1], AVERAGE OF AH3OPJ\n\nAH3OPI ,ug m-3 ,AH3OPI[1], AVERAGE OF AH3OPI\n\nANAJ ,ug m-3 ,ANAJ[1], AVERAGE OF ANAJ\n\nANAI ,ug m-3 ,ANAI[1], AVERAGE OF ANAI\n\nACLJ ,ug m-3 ,ACLJ[1], AVERAGE OF ACLJ\n\nACLI ,ug m-3 ,ACLI[1], AVERAGE OF ACLI\n\nASEACAT ,ug m-3 ,ASEACAT[1], AVERAGE OF ASEACAT\n\nACLK ,ug m-3 ,ACLK[1], AVERAGE OF ACLK\n\nASO4K ,ug m-3 ,ASO4K[1], AVERAGE OF ASO4K\n\nANH4K ,ug m-3 ,ANH4K[1], AVERAGE OF ANH4K\n\nANO3K ,ug m-3 ,ANO3K[1], AVERAGE OF ANO3K\n\nAH2OK ,ug m-3 ,AH2OK[1], AVERAGE OF AH2OK\n\nAH3OPK ,ug m-3 ,AH3OPK[1], AVERAGE OF AH3OPK\n\nAISO3J ,ug m-3 ,AISO3J[1], AVERAGE OF AISO3J\n\nAOLGAJ ,ug m-3 ,AOLGAJ[1], AVERAGE OF AOLGAJ\n\nAOLGBJ ,ug m-3 ,AOLGBJ[1], AVERAGE OF AOLGBJ\n\nAPCSOJ ,ug m-3 ,APCSOJ[1], AVERAGE OF APCSOJ\n\nALVPO1I ,ug m-3 ,ALVPO1I[1], AVERAGE OF ALVPO1I\n\nASVPO1I ,ug m-3 ,ASVPO1I[1], AVERAGE OF ASVPO1I\n\nASVPO2I ,ug m-3 ,ASVPO2I[1], AVERAGE OF ASVPO2I\n\nALVPO1J ,ug m-3 ,ALVPO1J[1], AVERAGE OF ALVPO1J\n\nASVPO1J ,ug m-3 ,ASVPO1J[1], AVERAGE OF ASVPO1J\n\nASVPO2J ,ug m-3 ,ASVPO2J[1], AVERAGE OF ASVPO2J\n\nASVPO3J ,ug m-3 ,ASVPO3J[1], AVERAGE OF ASVPO3J\n\nAIVPO1J ,ug m-3 ,AIVPO1J[1], AVERAGE OF AIVPO1J\n\nALVOO1I ,ug m-3 ,ALVOO1I[1], AVERAGE OF ALVOO1I\n\nALVOO2I ,ug m-3 ,ALVOO2I[1], AVERAGE OF ALVOO2I\n\nASVOO1I ,ug m-3 ,ASVOO1I[1], AVERAGE OF ASVOO1I\n\nASVOO2I ,ug m-3 ,ASVOO2I[1], AVERAGE OF ASVOO2I\n\nALVOO1J ,ug m-3 ,ALVOO1J[1], AVERAGE OF ALVOO1J\n\nALVOO2J ,ug m-3 ,ALVOO2J[1], AVERAGE OF ALVOO2J\n\nASVOO1J ,ug m-3 ,ASVOO1J[1], AVERAGE OF ASVOO1J\n\nASVOO2J ,ug m-3 ,ASVOO2J[1], AVERAGE OF ASVOO2J\n\nASVOO3J ,ug m-3 ,ASVOO3J[1], AVERAGE OF ASVOO3J\n\nAALK1J ,ug m-3 ,AAVB1J[1]*0.16, AE7 to AE6 Mapping \n\nABNZ1J ,ug m-3 ,AAVB1J[1]*0.16, AE7 to AE6 Mapping\n\nABNZ3J ,ug m-3 ,AAVB1J[1]*0.17, AE7 to AE6 Mapping\n\nATOL3J ,ug m-3 ,AAVB1J[1]*0.17, AE7 to AE6 Mapping\n\nAXYL3J ,ug m-3 ,AAVB1J[1]*0.17, AE7 to AE6 Mapping\n\nAPAH3J ,ug m-3 ,AAVB1J[1]*0.17, AE7 to AE6 Mapping\n\nAXYL1J ,ug m-3 ,AAVB2J[1]*0.33, AE7 to AE6 Mapping\n\nATOL1J ,ug m-3 ,AAVB2J[1]*0.33, AE7 to AE6 Mapping\n\nAPAH1J ,ug m-3 ,AAVB2J[1]*0.34, AE7 to AE6 Mapping\n\nATOL2J ,ug m-3 ,AAVB3J[1], SAPRC07tc mapping OF AAVB3J\n\nATRP1J ,ug m-3 ,AMT4J[1], SAPRC07tc mapping OF AMT4J\n\nATRP2J ,ug m-3 ,AMT5J[1], SAPRC07tc mapping OF AMT5J\n\nNH3 ,ppmV ,NH3[1], AVERAGE OF NH3\n\nSVISO1 ,ppmV ,SVISO1[1], AVERAGE OF SVISO1\n\nSVISO2 ,ppmV ,SVISO2[1], AVERAGE OF SVISO2\n\nSVSQT ,ppmV ,SVSQT[1], AVERAGE OF SVSQT\n\nLVPCSOG ,ppmV ,LVPCSOG[1], AVERAGE OF LVPCSOG\n\nSVTRP1 ,ppmV ,SVMT4[1], SAPRC07tc mapping OF SVMT4\n\nSVTRP2 ,ppmV ,SVMT5[1], SAPRC07tc mapping OF SVMT5\n\n" }, { "path": "PREP/bcon/map2mech/SpecDef_saprc07tic_ae7i_aq_derived_from_cb6r3m_ae7_kmtbr.txt", "content": "/#start YYYYDDD HHMMSS\n/#end YYYYDDD HHMMSS\n/#layer KLAY (default is all layers)\n/\n\n! This Specices Definition File was generated using mapping \n! from CB6 for SAPRC07tic_ae7i_aq.\n\n\n/ File [1]: CMAQ conc/aconc file\n\n/new species, units, expression, description\n\nPRES ,Pa ,PRES[1], AVERAGE OF PRES\n\nZH ,m ,ZH[1], AVERAGE OF ZH\n\nZF ,m ,ZF[1], AVERAGE OF ZF\n\nNO2 ,ppmV ,NO2[1], AVERAGE OF NO2\n\nNO ,ppmV ,NO[1], AVERAGE OF NO\n\nO3P ,ppmV ,O[1], AVERAGE OF O\n\nO3 ,ppmV ,O3[1], AVERAGE OF O3\n\nNO3 ,ppmV ,NO3[1], AVERAGE OF NO3\n\nO1D ,ppmV ,O1D[1], AVERAGE OF O1D\n\nOH ,ppmV ,OH[1], AVERAGE OF OH\n\nHO2 ,ppmV ,HO2[1], AVERAGE OF HO2\n\nHO2H ,ppmV ,H2O2[1], SAPRC07_ae7_tic mapping OF H2O2\n\nN2O5 ,ppmV ,N2O5[1], AVERAGE OF N2O5\n\nHNO3 ,ppmV ,HNO3[1], AVERAGE OF HNO3\n\nHONO ,ppmV ,HONO[1], AVERAGE OF HONO\n\nHNO4 ,ppmV ,PNA[1], SAPRC07_ae7_tic mapping OF PNA\n\nSO2 ,ppmV ,SO2[1], AVERAGE OF SO2\n\nSULF ,ppmV ,SULF[1], AVERAGE OF SULF\n\nMECO3 ,ppmV ,C2O3[1], SAPRC07_ae7_tic mapping OF C2O3\n\nMEO2 ,ppmV ,MEO2[1], AVERAGE OF MEO2\n\nPAN ,ppmV ,PAN[1], AVERAGE OF PAN\n\nCCOOOH ,ppmV ,PACD[1], SAPRC07_ae7_tic mapping OF PACD\n\nCCOOH ,ppmV ,AACD[1], SAPRC07_ae7_tic mapping OF AACD\n\nRCO3 ,ppmV ,CXO3[1], SAPRC07_ae7_tic mapping OF CXO3\n\nCCHO ,ppmV ,ALD2[1], SAPRC07_ae7_tic mapping OF ALD2\n\nPAN2 ,ppmV ,PANX[1], SAPRC07_ae7_tic mapping OF PANX\n\nHCHO ,ppmV ,FORM[1], SAPRC07_ae7_tic mapping OF FORM\n\nCOOH ,ppmV ,MEPX[1], SAPRC07_ae7_tic mapping OF MEPX\n\nMEOH ,ppmV ,MEOH[1], AVERAGE OF MEOH\n\nROOH ,ppmV ,ROOH[1], AVERAGE OF ROOH\n\nRNO3 ,ppmV ,NTR1[1] + NTR2[1], RNO3 is sum of NTR1+NTR2 in SAPRC07\n\nHCOOH ,ppmV ,FACD[1], SAPRC07_ae7_tic mapping OF FACD\n\nCO ,ppmV ,CO[1], AVERAGE OF CO\n\nRCHO ,ppmV ,ALDX[1], SAPRC07_ae7_tic mapping OF ALDX\n\nHOCCHO ,ppmV ,GLYD[1], SAPRC07_ae7_tic mapping OF GLYD\n\nGLY ,ppmV ,GLY[1], AVERAGE OF GLY\n\nMGLY ,ppmV ,MGLY[1], AVERAGE OF MGLY\n\nALK1 ,ppmV ,ETHA[1], SAPRC07_ae7_tic mapping OF ETHA\n\nETOH ,ppmV ,ETOH[1], AVERAGE OF ETOH\n\nMEK ,ppmV ,KET[1], SAPRC07_ae7_tic mapping OF KET\n\nALK3 ,ppmV ,PAR[1]*0.33, PAR Split equally into remaning alkanes in SAPRAC07\n\nALK4 ,ppmV ,PAR[1]*0.33, PAR Split equally into remaning alkanes in SAPRAC07\n\nALK5 ,ppmV ,PAR[1]*0.34, PAR Split equally into remaning alkanes in SAPRAC07\n\nACETONE ,ppmV ,ACET[1], SAPRC07_ae7_tic mapping OF ACET\n\nALK2 ,ppmV ,PRPA[1], SAPRC07_ae7_tic mapping OF PRPA\n\nACETYLENE ,ppmV ,ETHY[1], SAPRC07_ae7_tic mapping OF ETHY\n\nETHENE ,ppmV ,ETH[1], SAPRC07_ae7_tic mapping OF ETH\n\nOLE1 ,ppmV ,OLE[1]*0.71, 71% of OLE1 is non-propene in SAPRAC07\n\nPROPENE ,ppmV ,OLE[1]*0.29, 29% of OLE is propene in SAPRAC07\n\nOLE2 ,ppmV ,IOLE[1], SAPRC07_ae7_tic mapping OF IOLE\n\nISOPRENE ,ppmV ,ISOP[1], SAPRC07_ae7_tic mapping OF ISOP\n\nISOPO2 ,ppmV ,ISO2[1], SAPRC07_ae7_tic mapping OF ISO2\n\nMACR ,ppmV ,ISPD[1]*0.26, SAPRC07_ae7_tic mapping OF ISPD\n\nMVK ,ppmV ,ISPD[1]*0.35, SAPRC07_ae7_tic mapping OF ISPD\n\nIPRD ,ppmV ,ISPD[1]*0.39, SAPRC07_ae7_tic mapping OF ISPD\n\nISOPNB ,ppmV ,INTR[1]*0.40, B & D produced in 40/60 yields of INTR in SAPRAC07\n\nISOPND ,ppmV ,INTR[1]*0.60, B & D produced in 40/60 yields of INTR in SAPRAC07\n\nISOPOOH ,ppmV ,ISPX[1], SAPRC07_ae7_tic mapping OF ISPX\n\nHPALD ,ppmV ,HPLD[1], SAPRC07_ae7_tic mapping OF HPLD\n\nMACO3 ,ppmV ,OPO3[1], SAPRC07_ae7_tic mapping OF OPO3\n\nIEPOX ,ppmV ,EPOX[1], SAPRC07_ae7_tic mapping OF EPOX\n\nIEPOXOO ,ppmV ,EPX2[1], SAPRC07_ae7_tic mapping OF EPX2\n\nTERP ,ppmV ,TERP[1], AVERAGE OF TERP\n\nAPIN ,ppmV ,APIN[1], AVERAGE OF APIN\n\nTERPNRO2 ,ppmV ,TERPNRO2[1], AVERAGE OF TERPNRO2\n\nMTNO3 ,ppmV ,MTNO3[1], AVERAGE OF MTNO3\n\nBENZENE ,ppmV ,BENZENE[1], AVERAGE OF BENZENE\n\nCRES ,ppmV ,CRES[1], AVERAGE OF CRES\n\nAFG1 ,ppmV ,OPEN[1]*0.50, unsaturated aldehydes from aromatic of OPEN in SAPRAC07\n\nAFG2 ,ppmV ,OPEN[1]*0.50, unsaturated aldehydes from aromatic of OPEN in SAPRAC07\n\nBENZRO2 ,ppmV ,BENZRO2[1], AVERAGE OF BENZRO2\n\nARO1 ,ppmV ,TOL[1], 75% of TOL in SAPRAC07; rest not listed explicitly\n\nTOLRO2 ,ppmV ,TOLRO2[1], AVERAGE OF TOLRO2\n\nAFG3 ,ppmV ,XOPN[1], SAPRC07_ae7_tic mapping OF XOPN\n\nARO2MN ,ppmV ,XYLMN[1]*0.58, SAPRC07_ae7_tic mapping OF XYLMN\n\nMXYL ,ppmV ,XYLMN[1]*0.13, m-xylene is 13% of ARO2 in SAPRC07\n\nOXYL ,ppmV ,XYLMN[1]*0.11, o-xylene is 11% of ARO2 in SAPRC07\n\nPXYL ,ppmV ,XYLMN[1]*0.13, p-xylene is 13% of ARO2 in SAPRC07\n\nTMBENZ124 ,ppmV ,XYLMN[1]*0.05, 1,2,4-TMB is 5% of ARO2 in SAPRC07\n\nXYLRO2 ,ppmV ,XYLRO2[1], AVERAGE OF XYLRO2\n\nNAPHTHAL ,ppmV ,NAPH[1], SAPRC07_ae7_tic mapping OF NAPH\n\nPAHRO2 ,ppmV ,PAHRO2[1], AVERAGE OF PAHRO2\n\nBZO ,ppmV ,CRO[1], SAPRC07_ae7_tic mapping OF CRO\n\nNPHE ,ppmV ,CRON[1], SAPRC07_ae7_tic mapping OF CRON\n\nMAPAN ,ppmV ,OPAN[1], SAPRC07_ae7_tic mapping OF OPAN\n\nCL2 ,ppmV ,CL2[1], AVERAGE OF CL2\n\nCL ,ppmV ,CL[1], AVERAGE OF CL\n\nCLO ,ppmV ,CLO[1], AVERAGE OF CLO\n\nCLCHO ,ppmV ,FMCL[1], SAPRC07_ae7_tic mapping OF FMCL\n\nHCL ,ppmV ,HCL[1], AVERAGE OF HCL\n\nCLNO2 ,ppmV ,CLNO2[1], AVERAGE OF CLNO2\n\nCLONO2 ,ppmV ,CLNO3[1], SAPRC07_ae7_tic mapping OF CLNO3\n\nSESQ ,ppmV ,SESQ[1], AVERAGE OF SESQ\n\nSOAALK ,ppmV ,SOAALK[1], AVERAGE OF SOAALK\n\nH2NO3PIJ ,ppmV ,H2NO3PIJ[1], AVERAGE OF H2NO3PIJ\n\nH2NO3PK ,ppmV ,H2NO3PK[1], AVERAGE OF H2NO3PK\n\nVLVPO1 ,ppmV ,VLVPO1[1], AVERAGE OF VLVPO1\n\nVSVPO1 ,ppmV ,VSVPO1[1], AVERAGE OF VSVPO1\n\nVSVPO2 ,ppmV ,VSVPO2[1], AVERAGE OF VSVPO2\n\nVSVPO3 ,ppmV ,VSVPO3[1], AVERAGE OF VSVPO3\n\nVIVPO1 ,ppmV ,VIVPO1[1], AVERAGE OF VIVPO1\n\nVLVOO1 ,ppmV ,VLVOO1[1], AVERAGE OF VLVOO1\n\nVLVOO2 ,ppmV ,VLVOO2[1], AVERAGE OF VLVOO2\n\nVSVOO1 ,ppmV ,VSVOO1[1], AVERAGE OF VSVOO1\n\nVSVOO2 ,ppmV ,VSVOO2[1], AVERAGE OF VSVOO2\n\nVSVOO3 ,ppmV ,VSVOO3[1], AVERAGE OF VSVOO3\n\nPCVOC ,ppmV ,PCVOC[1], AVERAGE OF PCVOC\n\nHCHO_PRIMARY ,ppmV ,FORM_PRIMARY[1], SAPRC07_ae7_tic mapping OF FORM_PRIMARY\n\nCCHO_PRIMARY ,ppmV ,ALD2_PRIMARY[1], SAPRC07_ae7_tic mapping OF ALD2_PRIMARY\n\nBUTADIENE13 ,ppmV ,BUTADIENE13[1], AVERAGE OF BUTADIENE13\n\nACROLEIN ,ppmV ,ACROLEIN[1], AVERAGE OF ACROLEIN\n\nACRO_PRIMARY ,ppmV ,ACRO_PRIMARY[1], AVERAGE OF ACRO_PRIMARY\n\nTOLUENE ,ppmV ,TOLU[1], SAPRC07_ae7_tic mapping OF TOLU\n\nSVAVB1 ,ppmV ,SVAVB1[1], AVERAGE OF SVAVB1\n\nSVAVB2 ,ppmV ,SVAVB2[1], AVERAGE OF SVAVB2\n\nSVAVB3 ,ppmV ,SVAVB3[1], AVERAGE OF SVAVB3\n\nSVAVB4 ,ppmV ,SVAVB4[1], AVERAGE OF SVAVB4\n\nASO4J ,ug m-3 ,ASO4J[1], AVERAGE OF ASO4J\n\nASO4I ,ug m-3 ,ASO4I[1], AVERAGE OF ASO4I\n\nANH4J ,ug m-3 ,ANH4J[1], AVERAGE OF ANH4J\n\nANH4I ,ug m-3 ,ANH4I[1], AVERAGE OF ANH4I\n\nANO3J ,ug m-3 ,ANO3J[1], AVERAGE OF ANO3J\n\nANO3I ,ug m-3 ,ANO3I[1], AVERAGE OF ANO3I\n\nAISO1J ,ug m-3 ,AISO1J[1], AVERAGE OF AISO1J\n\nAISO2J ,ug m-3 ,AISO2J[1], AVERAGE OF AISO2J\n\nASQTJ ,ug m-3 ,ASQTJ[1], AVERAGE OF ASQTJ\n\nAORGCJ ,ug m-3 ,AORGCJ[1], AVERAGE OF AORGCJ\n\nAECJ ,ug m-3 ,AECJ[1], AVERAGE OF AECJ\n\nAECI ,ug m-3 ,AECI[1], AVERAGE OF AECI\n\nAOTHRJ ,ug m-3 ,AOTHRJ[1], AVERAGE OF AOTHRJ\n\nAOTHRI ,ug m-3 ,AOTHRI[1], AVERAGE OF AOTHRI\n\nAFEJ ,ug m-3 ,AFEJ[1], AVERAGE OF AFEJ\n\nAALJ ,ug m-3 ,AALJ[1], AVERAGE OF AALJ\n\nASIJ ,ug m-3 ,ASIJ[1], AVERAGE OF ASIJ\n\nATIJ ,ug m-3 ,ATIJ[1], AVERAGE OF ATIJ\n\nACAJ ,ug m-3 ,ACAJ[1], AVERAGE OF ACAJ\n\nAMGJ ,ug m-3 ,AMGJ[1], AVERAGE OF AMGJ\n\nAKJ ,ug m-3 ,AKJ[1], AVERAGE OF AKJ\n\nAMNJ ,ug m-3 ,AMNJ[1], AVERAGE OF AMNJ\n\nACORS ,ug m-3 ,ACORS[1], AVERAGE OF ACORS\n\nASOIL ,ug m-3 ,ASOIL[1], AVERAGE OF ASOIL\n\nNUMATKN ,m-3 ,NUMATKN[1], AVERAGE OF NUMATKN\n\nNUMACC ,m-3 ,NUMACC[1], AVERAGE OF NUMACC\n\nNUMCOR ,m-3 ,NUMCOR[1], AVERAGE OF NUMCOR\n\nSRFATKN ,m2 m-3 ,SRFATKN[1], AVERAGE OF SRFATKN\n\nSRFACC ,m2 m-3 ,SRFACC[1], AVERAGE OF SRFACC\n\nSRFCOR ,m2 m-3 ,SRFCOR[1], AVERAGE OF SRFCOR\n\nAORGH2OJ ,ug m-3 ,AORGH2OJ[1], AVERAGE OF AORGH2OJ\n\nAH2OJ ,ug m-3 ,AH2OJ[1], AVERAGE OF AH2OJ\n\nAH2OI ,ug m-3 ,AH2OI[1], AVERAGE OF AH2OI\n\nAH3OPJ ,ug m-3 ,AH3OPJ[1], AVERAGE OF AH3OPJ\n\nAH3OPI ,ug m-3 ,AH3OPI[1], AVERAGE OF AH3OPI\n\nANAJ ,ug m-3 ,ANAJ[1], AVERAGE OF ANAJ\n\nANAI ,ug m-3 ,ANAI[1], AVERAGE OF ANAI\n\nACLJ ,ug m-3 ,ACLJ[1], AVERAGE OF ACLJ\n\nACLI ,ug m-3 ,ACLI[1], AVERAGE OF ACLI\n\nASEACAT ,ug m-3 ,ASEACAT[1], AVERAGE OF ASEACAT\n\nACLK ,ug m-3 ,ACLK[1], AVERAGE OF ACLK\n\nASO4K ,ug m-3 ,ASO4K[1], AVERAGE OF ASO4K\n\nANH4K ,ug m-3 ,ANH4K[1], AVERAGE OF ANH4K\n\nANO3K ,ug m-3 ,ANO3K[1], AVERAGE OF ANO3K\n\nAH2OK ,ug m-3 ,AH2OK[1], AVERAGE OF AH2OK\n\nAH3OPK ,ug m-3 ,AH3OPK[1], AVERAGE OF AH3OPK\n\nAISO3J ,ug m-3 ,AISO3J[1], AVERAGE OF AISO3J\n\nAOLGAJ ,ug m-3 ,AOLGAJ[1], AVERAGE OF AOLGAJ\n\nAOLGBJ ,ug m-3 ,AOLGBJ[1], AVERAGE OF AOLGBJ\n\nAGLYJ ,ug m-3 ,AGLYJ[1], AVERAGE OF AGLYJ\n\nAMTNO3J ,ug m-3 ,AMTNO3J[1], AVERAGE OF AMTNO3J\n\nAMTHYDJ ,ug m-3 ,AMTHYDJ[1], AVERAGE OF AMTHYDJ\n\nAPCSOJ ,ug m-3 ,APCSOJ[1], AVERAGE OF APCSOJ\n\nALVPO1I ,ug m-3 ,ALVPO1I[1], AVERAGE OF ALVPO1I\n\nASVPO1I ,ug m-3 ,ASVPO1I[1], AVERAGE OF ASVPO1I\n\nASVPO2I ,ug m-3 ,ASVPO2I[1], AVERAGE OF ASVPO2I\n\nALVPO1J ,ug m-3 ,ALVPO1J[1], AVERAGE OF ALVPO1J\n\nASVPO1J ,ug m-3 ,ASVPO1J[1], AVERAGE OF ASVPO1J\n\nASVPO2J ,ug m-3 ,ASVPO2J[1], AVERAGE OF ASVPO2J\n\nASVPO3J ,ug m-3 ,ASVPO3J[1], AVERAGE OF ASVPO3J\n\nAIVPO1J ,ug m-3 ,AIVPO1J[1], AVERAGE OF AIVPO1J\n\nALVOO1I ,ug m-3 ,ALVOO1I[1], AVERAGE OF ALVOO1I\n\nALVOO2I ,ug m-3 ,ALVOO2I[1], AVERAGE OF ALVOO2I\n\nASVOO1I ,ug m-3 ,ASVOO1I[1], AVERAGE OF ASVOO1I\n\nASVOO2I ,ug m-3 ,ASVOO2I[1], AVERAGE OF ASVOO2I\n\nALVOO1J ,ug m-3 ,ALVOO1J[1], AVERAGE OF ALVOO1J\n\nALVOO2J ,ug m-3 ,ALVOO2J[1], AVERAGE OF ALVOO2J\n\nASVOO1J ,ug m-3 ,ASVOO1J[1], AVERAGE OF ASVOO1J\n\nASVOO2J ,ug m-3 ,ASVOO2J[1], AVERAGE OF ASVOO2J\n\nASVOO3J ,ug m-3 ,ASVOO3J[1], AVERAGE OF ASVOO3J\n\nAAVB1J ,ug m-3 ,AAVB1J[1], AVERAGE OF AAVB1J\n\nAAVB2J ,ug m-3 ,AAVB2J[1], AVERAGE OF AAVB2J\n\nAAVB3J ,ug m-3 ,AAVB3J[1], AVERAGE OF AAVB3J\n\nAAVB4J ,ug m-3 ,AAVB4J[1], AVERAGE OF AAVB4J\n\nAMT1J ,ug m-3 ,AMT1J[1], AVERAGE OF AMT1J\n\nAMT2J ,ug m-3 ,AMT2J[1], AVERAGE OF AMT2J\n\nAMT3J ,ug m-3 ,AMT3J[1], AVERAGE OF AMT3J\n\nAMT4J ,ug m-3 ,AMT4J[1], AVERAGE OF AMT4J\n\nAMT5J ,ug m-3 ,AMT5J[1], AVERAGE OF AMT5J\n\nAMT6J ,ug m-3 ,AMT6J[1], AVERAGE OF AMT6J\n\nNH3 ,ppmV ,NH3[1], AVERAGE OF NH3\n\nSVISO1 ,ppmV ,SVISO1[1], AVERAGE OF SVISO1\n\nSVISO2 ,ppmV ,SVISO2[1], AVERAGE OF SVISO2\n\nSVSQT ,ppmV ,SVSQT[1], AVERAGE OF SVSQT\n\nLVPCSOG ,ppmV ,LVPCSOG[1], AVERAGE OF LVPCSOG\n\nSVMT1 ,ppmV ,SVMT1[1], AVERAGE OF SVMT1\n\nSVMT2 ,ppmV ,SVMT2[1], AVERAGE OF SVMT2\n\nSVMT3 ,ppmV ,SVMT3[1], AVERAGE OF SVMT3\n\nSVMT4 ,ppmV ,SVMT4[1], AVERAGE OF SVMT4\n\nSVMT5 ,ppmV ,SVMT5[1], AVERAGE OF SVMT5\n\nSVMT6 ,ppmV ,SVMT6[1], AVERAGE OF SVMT6\n" }, { "path": "PREP/bcon/map2mech/run_combine_mechanism_mapping.csh", "content": "#! /bin/csh -f\n\n# ====================== COMBINE_v5.4 Run Script ======================== \n# Usage: run.combine.uncoupled.csh >&! combine_v53_uncoupled.log & \n#\n# To report problems or request help with this script/program: \n# http://www.epa.gov/cmaq (EPA CMAQ Website)\n# http://www.cmascenter.org (CMAS Website)\n# =================================================================== \n\nset CMAQ_HOME = /home/user/CMAQ_Project\nset CMAQ_DATA = /home/user/CMAQ_Project/data\n\nset compiler = intel\nset compilerVrsn = 18.0\nset compilerString = ${compiler}${compilerVrsn}\n\nset VRSN = v54\n\nset BINDIR = $CMAQ_HOME/POST/combine/scripts/BLD_combine_${VRSN}_${compilerString}\n\nset EXEC = combine_${VRSN}.exe\n\nsetenv GENSPEC N\n\n#> Set the species definition file used for mechanism mapping\n\nsetenv SPECIES_DEF SpecDef_racm_ae6_aq_derived_from_cb6r3m_ae7_kmtbr.txt\n#setenv SPECIES_DEF SpecDef_racm2_ae6_aq_derived_from_cb6r3m_ae7_kmtbr.txt\n#setenv SPECIES_DEF SpecDef_saprc07tc_ae6_aq_derived_from_cb6r3m_ae7_kmtbr.txt\n#setenv SPECIES_DEF SpecDef_saprc07tic_ae7i_aq_derived_from_cb6r3m_ae7_kmtbr.txt\n#setenv SPECIES_DEF SpecDef_cracmm1_aq_derived_from_cb6r5m_ae7_aq.txt\n#setenv SPECIES_DEF SpecDef_cracmm2_derived_from_cb6r5m_ae7_aq.txt\n\n#> Set the input file, e.g. the seasonal average H-CMAQ file \n#> CCTM_CONC_v53beta2_intel17.0_HEMIS_cb6r3m_ae7_kmtbr_m3dry_2016_quarterly_av.nc\n#> available for download from the CMAS data warehouse \n\nsetenv INFILE1 ${CMAQ_DATA}/CCTM_CONC_v53beta2_intel17.0_HEMIS_cb6r3m_ae7_kmtbr_m3dry_2016_quarterly_av.nc\n\n#> Set the output file containing the mapped species\n\nsetenv OUTFILE ${CMAQ_DATA}/CCTM_CONC_v53beta2_intel17.0_HEMIS_racm_ae6_aq_derived_from_cb6r3m_ae7_kmtbr_m3dry_2016_quarterly_av.nc\n#setenv OUTFILE ${CMAQ_DATA}/CCTM_CONC_v53beta2_intel17.0_HEMIS_racm2_ae6_aq_derived_from_cb6r3m_ae7_kmtbr_m3dry_2016_quarterly_av.nc\n#setenv OUTFILE ${CMAQ_DATA}/CCTM_CONC_v53beta2_intel17.0_HEMIS_saprc07tc_ae6_aq_derived_from_cb6r3m_ae7_kmtbr_m3dry_2016_quarterly_av.nc\n#setenv OUTFILE ${CMAQ_DATA}/CCTM_CONC_v53beta2_intel17.0_HEMIS_saprc07tic_ae7i_aq_derived_from_cb6r3m_ae7_kmtbr_m3dry_2016_quarterly_av.nc\n#setenv OUTFILE ${CMAQ_DATA}/CCTM_CONC_v53beta2_intel17.0_HEMIS_cracmm1_aq_derived_from_cb6r3m_ae7_kmtbr_m3dry_2016_quarterly_av.nc\n#setenv OUTFILE ${CMAQ_DATA}/CCTM_CONC_v53beta2_intel17.0_HEMIS_cracmm2_derived_from_cb6r3m_ae7_kmtbr_m3dry_2016_quarterly_av.nc\n\n#> Executable call:\n${BINDIR}/${EXEC}\n\n\nexit()\n" }, { "path": "PREP/bcon/scripts/bldit_bcon.csh", "content": "#!/bin/csh -f\n\n# ====================== BCONv5.5.X Build Script ====================== \n# Usage: bldit_bcon.csh >&! bldit_bcon.log \n# Requirements: I/O API & netCDF libs and a Fortran compiler \n# Note that this script is configured/tested for Red Hat Linux O/S \n#\n# To report problems or request help with this script/program: \n# http://www.cmascenter.org\n# ===================================================================\n\n#> Set Compiler Identity by User Input: Options -> intel | pgi | gcc\n if ( $#argv == 1 ) then\n setenv compiler $argv[1]\n setenv compilerVrsn Empty\n else if ( $#argv == 2 ) then\n #> Compiler Name and Version have been provided\n setenv compiler $1\n setenv compilerVrsn $2\n else\n echo \"usage: $0 \"\n echo \" where is intel, pgi or gcc\"\n exit(2)\n endif\n\n#> Source the config.cmaq file to set the build environment\n cd ../../../\n source ./config_cmaq.csh\n\n set echo\n\n# =======================================================================\n#> Begin User Input Section\n# =======================================================================\n\n#> Source Code Locations\n set BCON_SRC = ${CMAQ_REPO}/PREP/bcon/src #> location of the BCON source code\n setenv REPOROOT $BCON_SRC\n\n#> Working directory and Version IDs\n set VRSN = v55 #> Code Version\n set EXEC = BCON_${VRSN}.exe #> executable name for this application\n set CFG = BCON_${VRSN}.cfg #> BLDMAKE configuration file name\n\n#> Controls for managing the source code and MPI compilation\n set CompileBLDMAKE #> Recompile the BLDMAKE utility from source\n #> comment out to use an existing BLDMAKE executable\n set CopySrc #> copy the source files into the BLD directory\n#set CopySrcTree #> copy the source files and directory tree into the build directory\n#set Opt = verbose #> show requested commands as they are executed\n#set MakeFileOnly #> uncomment to build a Makefile, but do not compile; \n #> comment out to compile the model (default if not set)\n#set Debug_BCON #> uncomment to compile BCON with debug option equal to TRUE\n #> comment out to use standard, optimized compile process\n\n#>==============================================================================\n#> BCON Science Modules\n#>\n#> NOTE: BC type is now a runtime option. All BC types are included at\n#> compile time\n#>==============================================================================\n\n set ModCommon = common\n\n set ModM3conc = m3conc\n\n set ModProfile = profile\n\n#>#>#>#>#>#>#>#>#>#>#>#>#>#> End User Input Section #<#<#<#<#<#<#<#<#<#<#<#<#<#\n#>#>#>#>#>#>#>#>#>#>#>#>#>#>#>#>#>#>#>#<#<#<#<#<#<#<#<#<#<#<#<#<#<#<#<#<#<#<#<#\n\n#> Set full path of Fortran 90 compiler\n set FC = ${myFC}\n set FP = $FC\n setenv BLDER ${CMAQ_HOME}/UTIL/bldmake/bldmake_${compilerString}.exe #> name of model builder executable\n\n#> Set compiler flags\n set xLib_Base = ${CMAQ_LIB}\n set xLib_1 = ioapi/lib\n set xLib_2 = ioapi/include_files\n set xLib_4 = ioapi/lib\n set FSTD = \"${myFSTD}\"\n set DBG = \"${myDBG}\"\n set F_FLAGS = \"${myFFLAGS}\"\n set F90_FLAGS = \"${myFRFLAGS}\"\n set CPP_FLAGS = \"\"\n set LINK_FLAGS = \"${myLINK_FLAG}\"\n\n set LIB1 = \"$ioapi_lib\"\n set LIB2 = \"$netcdf_lib $extra_lib\"\n set LIB3 = \"$netcdff_lib\"\n\n#============================================================================================\n#> Implement User Input\n#============================================================================================\n\n#> Check for CMAQ_REPO and CMAQ_LIB settings:\n if ( ! -e $CMAQ_REPO || ! -e $CMAQ_LIB ) then\n echo \" $CMAQ_REPO or $CMAQ_LIB directory not found\"\n exit 1\n endif\n echo \" Model repository base path: $CMAQ_REPO\"\n echo \" library path: $CMAQ_LIB\"\n\n#> If $CMAQ_MODEL is not set, default to $CMAQ_REPO\n if ( $?CMAQ_MODEL ) then\n echo \" Model repository path: $CMAQ_MODEL\"\n else\n\n#> This script was written for Linux hosts only. If\n#> the host system is not Linux, produce an error and stop\n set BLD_OS = `uname -s` \n if ($BLD_OS != 'Linux') then\n echo \" $BLD_OS -> wrong bldit script for host!\"\n exit 1\n endif\n\n#> Set and create the \"BLD\" directory for checking out and compiling \n#> source code. Move current directory to that build directory.\n set Bld = $CMAQ_HOME/PREP/bcon/scripts/BLD_BCON_${VRSN}_${compilerString}\n if ( ! -e \"$Bld\" ) then\n mkdir $Bld\n else\n if ( ! -d \"$Bld\" ) then\n echo \" *** target exists, but not a directory ***\"\n exit 1\n endif\n endif\n cd $Bld\n\n#> make the config file\n\n set Cfile = $CFG.bld\n set quote = '\"'\n\n echo > $Cfile\n echo \"model $EXEC;\" >> $Cfile\n echo >> $Cfile\n echo \"repo $BCON_SRC;\" >> $Cfile\n echo >> $Cfile\n echo \"lib_base $xLib_Base;\" >> $Cfile\n echo >> $Cfile\n echo \"lib_1 $xLib_1;\" >> $Cfile\n echo >> $Cfile\n echo \"lib_2 $xLib_2;\" >> $Cfile\n echo >> $Cfile\n echo \"lib_4 $xLib_4;\" >> $Cfile\n echo >> $Cfile\n set text = \"$quote$CPP_FLAGS$quote;\"\n echo \"cpp_flags $text\" >> $Cfile\n echo >> $Cfile\n echo \"f_compiler $FC;\" >> $Cfile\n echo >> $Cfile\n echo \"fstd $quote$FSTD$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"dbg $quote$DBG$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"f_flags $quote$F_FLAGS$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"f90_flags $quote$F90_FLAGS$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"link_flags $quote$LINK_FLAGS$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"ioapi $quote$LIB1$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"netcdf $quote$LIB2$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"netcdff $quote$LIB3$quote;\" >> $Cfile\n echo >> $Cfile\n\n echo \"// project repository location: ${BCON_SRC}\" >> $Cfile\n echo >> $Cfile\n\n set text = \"common\"\n echo \"// required\" $text >> $Cfile\n echo \"Module ${ModCommon};\" >> $Cfile\n echo >> $Cfile\n\n set text = \"m3conc\"\n echo \"// options are\" $text >> $Cfile\n echo \"Module ${ModM3conc};\" >> $Cfile\n echo >> $Cfile\n\n set text = \"profile\"\n echo \"// options are\" $text >> $Cfile\n echo \"Module ${ModProfile};\" >> $Cfile\n echo >> $Cfile\n\n if ( $?ModMisc ) then\n echo \"Module ${ModMisc};\" >> $Cfile\n echo >> $Cfile\n endif\n\n# ============================================================================\n#> Create Makefile and Model Executable\n# ============================================================================\n\n unalias mv rm\n\n#> Recompile BLDMAKE from source if requested or if it does not exist\n if ( $?CompileBLDMAKE || ! -f $BLDER ) then\n cd ${CMAQ_REPO}/UTIL/bldmake/scripts\n ./bldit_bldmake.csh\n endif\n set Blder = \"$BLDER -serial -verbose\"\n\n#> Relocate to the BLD_* directory \n cd $Bld\n\n# Set BCON debug flags if true\n if ( $?Debug_BCON ) then\n set Blder = \"${Blder} -debug_cctm\"\n endif\n\n#> Run BLDMAKE Utility\n if ( $?MakeFileOnly ) then\n if ( $?CopySrc ) then\n $Blder -makefo $Cfile\n else\n $Blder -makefo -git_local $Cfile # $Cfile = ${CFG}\n # totalview -a $Blder -makefo $Cfile\n endif\n else # also compile the model\n if ( $?CopySrc ) then\n $Blder $Cfile\n else\n $Blder -git_local $Cfile\n endif\n endif\n\n#> Rename Makefile to specify compiler option and link back to Makefile\n mv Makefile Makefile.$compilerString\n if ( -e Makefile.$compilerString && -e Makefile ) rm Makefile\n ln -s Makefile.$compilerString Makefile\n\n#> Alert user of error in BLDMAKE if it ocurred\n if ( $status != 0 ) then\n echo \" *** failure in $Blder ***\"\n exit 1\n endif\n\n#> Preserve old Config file, if it exists, before moving new one to \n#> build directory.\n if ( -e \"$Bld/${CFG}\" ) then\n echo \" >>> previous ${CFG} exists, re-naming to ${CFG}.old <<<\"\n unalias mv\n mv $Bld/${CFG} $Bld/${CFG}.old\n endif\n mv ${CFG}.bld $Bld/${CFG}\n\n exit\n" }, { "path": "PREP/bcon/scripts/run_bcon.csh", "content": "#!/bin/csh -f\n\n# ======================= BCONv5.5.X Run Script ======================== \n# Usage: run_bcon.csh >&! bcon.log & \n#\n# To report problems or request help with this script/program: \n# http://www.cmascenter.org\n# ==================================================================== \n\n# ==================================================================\n#> Runtime Environment Options\n# ==================================================================\n\n#> Choose compiler and set up CMAQ environment with correct \n#> libraries using config.cmaq. Options: intel | gcc | pgi\n setenv compiler intel \n\n#> Source the config_cmaq file to set the run environment\n pushd ../../../\n source ./config_cmaq.csh $compiler\n popd\n\n#> Check that CMAQ_DATA is set:\n if ( ! -e $CMAQ_DATA ) then\n echo \" $CMAQ_DATA path does not exist\"\n exit 1\n endif\n echo \" \"; echo \" Input data path, CMAQ_DATA set to $CMAQ_DATA\"; echo \" \"\n\n#> Set General Parameters for Configuring the Simulation\n set VRSN = v55 #> Code Version\n set APPL = 2016_12SE1 #> Application Name\n set BCTYPE = regrid #> Boundary condition type [profile|regrid]\n\n#> Set the build directory:\n set BLD = ${CMAQ_HOME}/PREP/bcon/scripts/BLD_BCON_${VRSN}_${compilerString}\n set EXEC = BCON_${VRSN}.exe \n cat $BLD/BCON_${VRSN}.cfg; echo \" \"; set echo\n\n#> Horizontal grid definition \n setenv GRID_NAME SE53BENCH #> check GRIDDESC file for GRID_NAME options\n#setenv GRIDDESC $CMAQ_DATA/$APPL/met/mcip/GRIDDESC #> grid description file \n setenv GRIDDESC /work/MOD3DATA/SE53BENCH/met/mcipv4.5/GRIDDESC\n setenv IOAPI_ISPH 20 #> GCTP spheroid, use 20 for WRF-based modeling\n\n#> I/O Controls\n setenv IOAPI_LOG_WRITE F #> turn on excess WRITE3 logging [ options: T | F ]\n setenv IOAPI_OFFSET_64 YES #> support large timestep records (>2GB/timestep record) [ options: YES | NO ]\n setenv EXECUTION_ID $EXEC #> define the model execution id\n\n# =====================================================================\n#> BCON Configuration Options\n#\n# BCON can be run in one of two modes: \n# 1) regrids CMAQ CTM concentration files (BC type = regrid) \n# 2) use default profile inputs (BC type = profile)\n# =====================================================================\n\n setenv BCON_TYPE ` echo $BCTYPE | tr \"[A-Z]\" \"[a-z]\" `\n\n# =====================================================================\n#> Input/Output Directories\n# =====================================================================\n\n set OUTDIR = $CMAQ_HOME/data/bcon #> output file directory\n\n# =====================================================================\n#> Input Files\n# \n# Regrid mode (BC = regrid) (includes nested domains, windowed domains,\n# or general regridded domains)\n# CTM_CONC_1 = the CTM concentration file for the coarse domain \n# MET_CRO_3D_CRS = the MET_CRO_3D met file for the coarse domain\n# MET_BDY_3D_FIN = the MET_BDY_3D met file for the target nested domain\n# \n# Profile mode (BC type = profile)\n# BC_PROFILE = static/default BC profiles \n# MET_BDY_3D_FIN = the MET_BDY_3D met file for the target domain \n#\n# NOTE: SDATE (yyyyddd), STIME (hhmmss) and RUNLEN (hhmmss) are only \n# relevant to the regrid mode and if they are not set, \n# these variables will be set from the input MET_BDY_3D_FIN file\n# =====================================================================\n#> Output File\n# BNDY_CONC_1 = gridded BC file for target domain\n# =====================================================================\n \n set DATE = \"2016-07-01\"\n set YYYYJJJ = `date -ud \"${DATE}\" +%Y%j` #> Convert YYYY-MM-DD to YYYYJJJ\n set YYMMDD = `date -ud \"${DATE}\" +%y%m%d` #> Convert YYYY-MM-DD to YYMMDD\n set YYYYMMDD = `date -ud \"${DATE}\" +%Y%m%d` #> Convert YYYY-MM-DD to YYYYMMDD\n# setenv SDATE ${YYYYJJJ}\n# setenv STIME 000000\n# setenv RUNLEN 240000\n\n if ( $BCON_TYPE == regrid ) then \n setenv CTM_CONC_1 /work/MOD3EVAL/sjr/CCTM_CONC_v53beta2_intel17.0_HEMIS_cb6r3m_ae7_kmtbr_m3dry_2016_quarterly_av.nc\n setenv MET_CRO_3D_CRS /work/MOD3DATA/2016_12US1/met/mcip_v43_wrf_v381_ltng/METCRO3D.12US1.35L.${YYMMDD}\n setenv MET_BDY_3D_FIN /work/MOD3DATA/SE53BENCH/met/mcipv4.5/METBDY3D_${YYMMDD}.nc\n setenv BNDY_CONC_1 \"$OUTDIR/BCON_${APPL}_${BCON_TYPE}_${YYYYMMDD} -v\"\n endif\n\n if ( $BCON_TYPE == profile ) then\n setenv BC_PROFILE $BLD/avprofile_cb6r3m_ae7_kmtbr_hemi2016_v53beta2_m3dry_col051_row068.csv\n setenv MET_BDY_3D_FIN /work/MOD3DATA/SE53BENCH/met/mcipv4.5/METBDY3D_${YYMMDD}.nc\n setenv BNDY_CONC_1 \"$OUTDIR/BCON_${APPL}_${BCON_TYPE}_${YYYYMMDD} -v\"\n endif\n\n# =====================================================================\n#> Output File\n# =====================================================================\n \n#>- - - - - - - - - - - - - - - - - - - - - - - - - - - - - -\n\n if ( ! -d \"$OUTDIR\" ) mkdir -p $OUTDIR\n\n ls -l $BLD/$EXEC; size $BLD/$EXEC\n unlimit\n limit\n\n#> Executable call:\n time $BLD/$EXEC\n\n set progstat = ${status}\n if ( ${progstat} ) then\n echo \"ERROR ${progstat} in $BLD/$EXEC\"\n exit( ${progstat} )\n endif\n\n exit() \n" }, { "path": "PREP/bcon/src/common/BC_PARMS.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n MODULE BC_PARMS\n\nC......................................................................\nC From INCLUDE FILE: BC_PARMS.EXT\n\nC CONTAINS: Dimensioning parameters and data for BCON\n\nC DEPENDENT UPON: None\n\nC REVISION HISTORY: Prototype created by Jerry Gipson, January, 1998\nC Modified by JG May, 1999 to treat PinG concs\nC Remove PING by J.Young July, 2011\nC......................................................................\n\n\n!terra5:/home/yoj/src/arc/BCON-git> find /home/yoj/src/arc/BCON-git -name '*.[fF]' -exec grep -i BC_PARMS.EXT {} \\; -print\n! INCLUDE 'BC_PARMS.EXT' ! BCON paramters\n!/home/yoj/src/arc/BCON-git/common/bcon.F\n! INCLUDE 'BC_PARMS.EXT' ! BCON parameters\n!/home/yoj/src/arc/BCON-git/common/lst_spc_map.F\n! INCLUDE 'BC_PARMS.EXT' ! BCON parameters\n!/home/yoj/src/arc/BCON-git/common/ngc_spc_map.F\n! INCLUDE 'BC_PARMS.EXT' ! BCON parameters\n!/home/yoj/src/arc/BCON-git/common/opn_bc_file.F\n! INCLUDE 'BC_PARMS.EXT' ! BCON paramters\n!/home/yoj/src/arc/BCON-git/m3conc/m3_bcout.F\n! INCLUDE 'BC_PARMS.EXT' ! BCON paramters\n!/home/yoj/src/arc/BCON-git/m3conc/m3_ck_bdy.F\n! INCLUDE 'BC_PARMS.EXT' ! ICON parameters\n!/home/yoj/src/arc/BCON-git/m3conc/m3_ck_ctms.F\n! INCLUDE 'BC_PARMS.EXT' ! BCON paramters\n!/home/yoj/src/arc/BCON-git/m3conc/m3_ck_met.F\n! INCLUDE 'BC_PARMS.EXT' ! BCON paramters\n!/home/yoj/src/arc/BCON-git/m3conc/m3_driver.F\n! INCLUDE 'BC_PARMS.EXT' ! BCON paramters\n!/home/yoj/src/arc/BCON-git/m3conc/m3_vinterp.F\n! INCLUDE 'BC_PARMS.EXT' ! BCON paramters\n!/home/yoj/src/arc/BCON-git/profile/prof_bcout.F\n! INCLUDE 'BC_PARMS.EXT' ! BCON paramters\n!/home/yoj/src/arc/BCON-git/profile/prof_driver.F\n! INCLUDE 'BC_PARMS.EXT' ! BCON paramters\n!/home/yoj/src/arc/BCON-git/profile/prof_vinterp.F\n! INCLUDE 'BC_PARMS.EXT' ! BCON paramters\n!/home/yoj/src/arc/BCON-git/tracer/trac_bc.F\n! INCLUDE 'BC_PARMS.EXT' ! BCON paramters\n!/home/yoj/src/arc/BCON-git/tracer/trac_driver.F\n\nC Dimensioning parameters\n\n INTEGER, PARAMETER :: MX_MECHFL_BC = 500 ! Max no. of species\n\n INTEGER, PARAMETER :: MX_INFL_SP = 500 ! Max no. of species in an input file\n\n INTEGER, PARAMETER :: MXCTMS = 3 ! Max no. of input CTM files\n\nC Type declarations\n\nC Root names of possible output files\n INTEGER, PARAMETER :: NROOTS = 5\n CHARACTER( 16 ) :: BCFL_ROOT( NROOTS ) = (/ ! Output file root names\n & 'BNDY_CONC_',\n & 'BNDY_GASC_',\n & 'BNDY_AERO_',\n & 'BNDY_NONR_',\n & 'BNDY_TRAC_' /)\n\nC Catalogued tracer species names\n INTEGER, PARAMETER :: NTRACERS = 8 ! No. of catalogued tracers\n CHARACTER( 16 ) :: TRAC_NAME( NTRACERS ) = (/ ! Catalogued tracer names\n & 'IC1_BC0',\n & 'IC1_BC1',\n & 'IC0_BC1',\n & 'STREET ',\n & 'CHKBRD ',\n & 'SPOS_A ',\n & 'SPOS_B ',\n & 'SPOS_C ' /)\n\nC Descriptions of tracers species\n CHARACTER( 80 ) :: TRAC_DESC( NTRACERS ) = (/ ! Description of catalogued tracers\n & 'Uniform IC/BC with IC = 1.0 and BC 0.0 ',\n & 'Uniform IC/BC with IC = 1.0 and BC 1.0 ',\n & 'Uniform IC/BC with IC = 0.0 and BC 0.0 ',\n & 'Checkerboard pattern of IC/BC = 1.0 & 0.0',\n & 'Street pattern of IC/BC = 1.0 & 0.0 ',\n & 'Signal A for superposition test, A-B-C=0 ',\n & 'Signal B for superposition test, A-B-C=0 ',\n & 'Signal C for superposition test, A-B-C=0 ' /)\n\nC Descriptions of catalogued vertical coordinate systems\n CHARACTER( 23 ) :: VGDESC( 8 ) = (/ ! Description of vertical grid type\n & 'Hydrostatic sigma-p ',\n & 'Non-hydrostatic sigma-p',\n & 'Sigma-z ',\n & 'Pressure (mb) ',\n & 'Z (m above sea level) ',\n & 'H (m above ground ',\n & 'WRF mass-core sigma ',\n & 'WRF NMM ' /)\n\nC When generating \"fine grid\" bcon output from a \"coarse grid\" concentration file...\nC If the vertical grid type is different between the input concentration file and\nC the targeted, output bcon file, the mid-layer height fields (ZH) for both the\nC \"coarse\" input and the \"fine\" output are required from appropriate MET_CRO_3D files.\n CHARACTER( 16 ) :: MET_CRO_3D_CRS = 'MET_CRO_3D_CRS' ! coarse grid\n CHARACTER( 16 ) :: MET_BDY_3D_FIN = 'MET_BDY_3D_FIN' ! fine grid\n\n END MODULE BC_PARMS\n\n" }, { "path": "PREP/bcon/src/common/HGRD_DEFN.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/BCON/src/common/HGRD_DEFN.F,v 1.2 2011/10/21 16:52:31 yoj Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n MODULE HGRD_DEFN\n\nC Define the horizontal domain, globally and for each processor, if parallel\nC Revision History: David Wong 18 Feb 01: created\nC Jeff Young 23 Feb 01: generalize\nC 31 Mar 01: add BLKPRM.EXT\nC 10 Nov 01: change to use GRIDDESC, env vars\nC J Gipson 01 Sep 04: change block size to 50\nC J Young 07 Dec 04: remove layer dependency (for MXCELLS,\nC MXBLKS) to implement vertical layer\nC dyn alloc appropriately\nC J Young 22 Dec 05: move proc. anayl. stuff to PAGRD_DEFN\nC J.Young 13 Jul 11: Replaced I/O API include files\nC with M3UTILIO; simplified for no parallel\nC.......................................................................\n\n IMPLICIT NONE\n\nC grid name selected from GRIDDESC\n CHARACTER( 16 ), SAVE :: GRID_NAME\n\nC returned coordinate system (projection)\n CHARACTER( 16 ), SAVE :: COORD_SYS_NAME\n\nC map projection type (should be named PRTYP_GD!)\n INTEGER, SAVE :: GDTYP_GD = 2 ! LAMGRD3\n\nC first map projection parameter (degrees)\n REAL( 8 ), SAVE :: P_ALP_GD = 30.0\n\nC second map projection parameter (degrees)\n REAL( 8 ), SAVE :: P_BET_GD = 60.0\n\nC third map projection parameter (degrees)\n REAL( 8 ), SAVE :: P_GAM_GD = -90.0\n\nC longitude for coord-system center (degrees)\n REAL( 8 ), SAVE :: XCENT_GD = -90.0\n\nC latitude for coord-system center (degrees)\n REAL( 8 ), SAVE :: YCENT_GD = 40.0\n\n REAL( 8 ), SAVE :: XORIG_GD ! X-coordinate origin of computational grid\n REAL( 8 ), SAVE :: YORIG_GD ! Y-coordinate origin of computational grid\n\n REAL( 8 ), SAVE :: XCELL_GD ! X-coordinate cell width (M)\n REAL( 8 ), SAVE :: YCELL_GD ! Y-coordinate cell width (M)\n\n INTEGER, SAVE :: NCOLS ! grid columns array dimension\n INTEGER, SAVE :: NROWS ! grid rows array dimension\n INTEGER, SAVE :: NBNDY ! no. of cells in one layer of local boundary\n \n INTEGER, SAVE :: NTHIK ! boundary thickness (cells)\n \n CONTAINS\n\n FUNCTION HGRD_INIT () RESULT ( SUCCESS )\n\n USE M3UTILIO ! IOAPI module\n\n LOGICAL :: SUCCESS\n\n INTEGER, SAVE :: LOGDEV\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n CHARACTER( 96 ) :: XMSG = ' '\n\nC environment variable grid name to select from GRIDDESC\n CHARACTER( 16 ) :: HGRD_NAME = 'GRID_NAME'\n INTEGER, EXTERNAL :: SETUP_LOGDEV\n INTEGER :: STATUS\n\n CHARACTER( 48 ) :: VARDESC\n\nC-----------------------------------------------------------------------\n\nC This function is expected to be called only once - at startup\n\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n! LOGDEV = SETUP_LOGDEV()\n LOGDEV = INIT3()\n SUCCESS = .TRUE.\n\n VARDESC = 'Horizontal Domain Definition '\n CALL ENVSTR( HGRD_NAME, VARDESC, 'GRID_NAME', GRID_NAME, STATUS )\n IF ( STATUS .NE. 0 ) WRITE( LOGDEV, '(5X, A)' ) VARDESC\n IF ( STATUS .EQ. 1 ) THEN\n XMSG = 'Environment variable improperly formatted'\n CALL M3WARN ( 'HGRD_INIT', 0, 0, XMSG )\n SUCCESS = .FALSE.; RETURN\n ELSE IF ( STATUS .EQ. -1 ) THEN\n XMSG = 'Environment variable set, but empty ... Using default'\n WRITE( LOGDEV, '(5X, A)' ) XMSG\n ELSE IF ( STATUS .EQ. -2 ) THEN\n XMSG = 'Environment variable not set ... Using default'\n WRITE( LOGDEV, '(5X, A)' ) XMSG\n END IF\n\nC With GRID_NAME (only input) retrieve all horizontal grid parameters from\nC the grid description file pointed to by the GRIDDESC env var:\n\n IF ( .NOT. DSCGRID ( GRID_NAME,\n & COORD_SYS_NAME, GDTYP_GD, \n & P_ALP_GD, P_BET_GD, P_GAM_GD,\n & XCENT_GD, YCENT_GD,\n & XORIG_GD, YORIG_GD, XCELL_GD, YCELL_GD,\n & NCOLS, NROWS, NTHIK ) ) THEN\n XMSG = 'Failure retrieving horizontal grid parameters'\n CALL M3WARN ( 'HGRD_INIT', 0, 0, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\n NBNDY = 2*NTHIK * ( NCOLS + NROWS + 2*NTHIK )\n\n ELSE\n XMSG = 'Horizontal domain decomposition already defined'\n CALL M3WARN ( 'HGRD_INIT', 0, 0, XMSG )\n SUCCESS = .FALSE.; RETURN\n\n END IF ! FIRSTIME\n\n RETURN\n END FUNCTION HGRD_INIT\n \n END MODULE HGRD_DEFN\n" }, { "path": "PREP/bcon/src/common/VGRD_DEFN.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/BCON/src/common/VGRD_DEFN.F,v 1.2 2011/10/21 16:52:32 yoj Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n MODULE VGRD_DEFN\n\nC Define the vertical layer structure (replaces COORD.EXT and VGRD.EXT)\nC Revision History: Jeff Young: 6 Dec 04: created\nC 26 Jul 06: comments in line with PARMS3.EXT\nC J.Young 13 Jul 11: Replaced I/O API include files\nC with M3UTILIO\nC S.Roselle 21 Sep 18: Use MET_BDY_3D_FIN to get layer\nC structure instead of requiring\nC a separate LAYER_FILE\nC.......................................................................\n\n IMPLICIT NONE\n\n INTEGER, SAVE :: NLAYS = 0\n\n REAL, ALLOCATABLE, SAVE :: VGLVS_GD( : ) ! vert layer surface values\n REAL, ALLOCATABLE, SAVE :: X3FACE_GD( : ) ! mono. incr. vert coord values\n ! = 1 - VGLVS_GD\n CHARACTER( 16 ), SAVE :: GDNAME_GD\n\nC The definitions and declarations in this F90 Module follow those\nC given in the I/O-API include file FDESC3C.EXT and replace similar\nC definitions. This F90 Module is compatible with FDESC3C.EXT.\n\nC VGTYP_GD:\nC The vertical grid type:\nC 1: VGSGPH3 : hydrostatic sigma-P\nC 2: VGSGPN3 : non-h sigma-P\nC 3: VGSIGZ3 : sigma-Z\nC 4: VGPRES3 : pressure (mb)\nC 5: VGZVAL3 : Z (m) (above sea lvl)\nC 6: VGHVAL3 : H (m) (above ground)\nC 7: VGWRFEM : WRF mass-core sigma\nC 8: VGWRFNM : WRF NMM\nC 9: IMISS3 for vertical coordinates not stored in VGLVSD\nC (e.g., temporally or spatially changing vertical coordinates)\n\n INTEGER, SAVE :: VGTYP_GD\n\nC VGTPUN_GD:\nC The units of the vertical coordinate top.\n\n CHARACTER( 16 ), SAVE :: VGTPUN_GD\n\nC VGTOP_GD:\nC The value for the model top used in the definition of the sigma coordinate\nC systems in the VGTPUN_GD units.\n\n REAL, SAVE :: VGTOP_GD\n\nC For sigma-P, the relationship between pressure levels P and sigma-P is\nC given by:\nC sigma-P = ( P - VGTOP_GD ) / (P_srf - VGTOP_GD ),\nC where P_srf is the surface pressure.\n\nC VGLVUN_GD:\nC The units of the vertical coordinate surface values,\n\n CHARACTER( 16 ) :: VGLVUN_GD\n\nC-----------------------------------------------------------------------\n\n CONTAINS\n\n FUNCTION VGRD_INIT ( ) RESULT ( SUCCESS )\n\n USE M3UTILIO ! IOAPI module\n\n IMPLICIT NONE\n\n LOGICAL :: SUCCESS\n\n! integer, save :: logdev\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n CHARACTER( 96 ) :: XMSG = ' '\n CHARACTER( 16 ) :: LAYER_FILE = 'MET_BDY_3D_FIN'\n\n INTEGER L, ALLOCSTAT\n\nC This function is expected to be called only once - at startup\n\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n! logdev = init3()\n SUCCESS = .TRUE.\n\nC get vert layer definition from LAYER_FILE\n\n IF ( .NOT. OPEN3( LAYER_FILE, FSREAD3, 'VGRD_INIT' ) ) THEN\n XMSG = 'Could not open '// LAYER_FILE\n CALL M3WARN ( 'VGRD_INIT', 0, 0, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\n IF ( .NOT. DESC3( LAYER_FILE ) ) THEN\n XMSG = 'Could not get ' // LAYER_FILE // ' file description'\n CALL M3WARN ( 'VGRD_INIT', 0, 0, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\n GDNAME_GD = GDNAM3D\n\n NLAYS = NLAYS3D\n\n VGTYP_GD = VGTYP3D\n VGTOP_GD = VGTOP3D\n VGTPUN_GD = 'Pa'\n VGLVUN_GD = 'none'\n\n ALLOCATE ( VGLVS_GD( NLAYS + 1 ), STAT = ALLOCSTAT )\n ALLOCATE ( X3FACE_GD( 0:NLAYS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating VGLVS_GD, X3FACE_GD'\n CALL M3WARN ( 'VGRD_INIT', 0, 0, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\n DO L = 1, NLAYS + 1\n VGLVS_GD( L ) = VGLVS3D( L )\n END DO\n\nC set layer layer thickenesses\n\n DO L = 0, NLAYS\n X3FACE_GD( L ) = 1.0 - VGLVS_GD( L + 1 )\n END DO\n\n ELSE\n XMSG = 'Vertical layer structure already defined'\n CALL M3WARN ( 'VGRD_INIT', 0, 0, XMSG )\n SUCCESS = .FALSE.; RETURN\n\n END IF ! FIRSTIME\n\n RETURN\n END FUNCTION VGRD_INIT\n\n END MODULE VGRD_DEFN\n\nC 21 VGLVS_GD X3FACE_GD\nC \nC 1 1.0 0.0\nC 2 0.995 0.005\nC 3 0.99 0.01\nC 4 0.985 0.015\nC 5 0.98 0.02\nC 6 0.97 0.03\nC 7 0.96 0.04\nC 8 0.945 0.055\nC 9 0.93 0.07\nC 10 0.91 0.09\nC 11 0.89 0.11\nC 12 0.865 0.135\nC 13 0.84 0.16\nC 14 0.78 0.22\nC 15 0.7 0.3\nC 16 0.6 0.4\nC 17 0.5 0.5\nC 18 0.4 0.6\nC 19 0.3 0.7\nC 20 0.2 0.8\nC 21 0.1 0.9\nC 22 0.0 1.0\n" }, { "path": "PREP/bcon/src/common/bcon.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/BCON/src/common/bcon.F,v 1.2 2011/10/21 16:52:32 yoj Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\n PROGRAM BCON \n\nC***********************************************************************\n \nC Function: To produce a Models-3 CTM Boundary Concentration file.\nC Valid input options include: \nC 1) a user specified ASCII file of vertical profiles,\nC 2) a CMAQ CTM output file,\nC 3) subroutines that produce catalogued test pattern species concs.\n \nC Preconditions: None\n \nC Key Subroutines/Functions Called: INBNDY\n \nC Revision History:\nC Created by Jerry Gipson, January, 1998; based on the original Models-3\nC prototype.\nC Modified 4/22/99 by JG to provide default treatment for missing RUNLEN,\nC SDATE, and STIME\nC 02/25/02 Steve Howard (Jeff Young) - dynamic allocation\nC 01/05/05 J.Young: vert dyn alloc - Use VGRD_DEFN\nC 06 Jul 11 J.Young: Replaced I/O API include files with M3UTILIO\nC 13 Jul 11 J.Young: Convert for Namelist redesign\nC 23 May 12 J.Young: Replaced BC_PARMS include file with an F90 module\nC 14 Sep 18 S.Roselle: Removed species mapping; updates to enable runtime\nC option for profile, regrid, or test pattern BCs\n \nC***********************************************************************\n\n USE HGRD_DEFN ! Module to store and load the horizontal grid variables\n USE VGRD_DEFN ! vertical layer specifications\n USE M3UTILIO ! IOAPI module\n USE BC_PARMS ! BCON parameters\n\n IMPLICIT NONE \n\nC Include Files: None\n\nC Arguments: None\n\nC Parameters: None\n\nC External Procedures: None\n\nC Local Variables:\n CHARACTER( 16 ) :: PNAME = 'BCON' ! Procedure name\n CHARACTER( 16 ) :: BCON_TYPE = 'BCON_TYPE' ! BCON type environment variable\n CHARACTER( 16 ) :: BC_MODULE = 'regrid' ! selected module\n\n CHARACTER( 80 ) :: MSG ! Log message \n CHARACTER( 80 ) :: VARDESC ! variable description\n\n INTEGER LOGUNIT ! Unit number for output log\n INTEGER STATUS ! Status code\n\n INTERFACE\n\n SUBROUTINE M3_INBNDY ( LOGUNIT )\n INTEGER, INTENT( IN ) :: LOGUNIT\n END SUBROUTINE M3_INBNDY\n\n SUBROUTINE PROF_INBNDY ( LOGUNIT )\n INTEGER, INTENT( IN ) :: LOGUNIT\n END SUBROUTINE PROF_INBNDY\n\n! SUBROUTINE TRAC_INBNDY ( LOGUNIT )\n! INTEGER, INTENT( IN ) :: LOGUNIT\n! END SUBROUTINE TRAC_INBNDY\n\n END INTERFACE\nC***********************************************************************\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Initialize IO/API and get environment variables\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n LOGUNIT = INIT3( )\n\n VARDESC = 'Boundary condition type: (regrid or profile)'\n CALL ENVSTR( BCON_TYPE, VARDESC, BC_MODULE, BC_MODULE, STATUS )\n IF ( STATUS .NE. 0 ) WRITE( LOGUNIT, '(5X, A)' ) VARDESC\n IF ( STATUS .EQ. 1 ) THEN\n MSG = 'Environment variable improperly formatted'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT2 )\n ELSE IF ( STATUS .EQ. -1 ) THEN\n MSG = 'Environment variable set, but empty ... Using default:'\n WRITE( LOGUNIT, '(5X, A, A)' ) MSG, BC_MODULE\n ELSE IF ( STATUS .EQ. -2 ) THEN\n MSG = 'Environment variable not set ... Using default:'\n WRITE( LOGUNIT, '(5X, A, A)' ) MSG, BC_MODULE\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Load horizontal grid variables calling GRID_DEF->HGRD_INIT function\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( .NOT. HGRD_INIT() ) then\n MSG = '*** Failure defining horizontal domain'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc define vertical layer structure\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( .NOT. VGRD_INIT() ) THEN\n MSG = '*** Failure defining vertical structure'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Generate the BC output file and quit\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( BC_MODULE .EQ. 'regrid' ) THEN\n CALL M3_INBNDY ( LOGUNIT )\n ELSE IF ( BC_MODULE .EQ. 'profile' ) THEN\n CALL PROF_INBNDY ( LOGUNIT )\n! ELSE IF ( BC_MODULE .EQ. 'patterns' ) THEN\n! CALL TRAC_INBNDY ( LOGUNIT )\n ELSE\n MSG = '*** Unknown BCON type requested: ' // BC_MODULE\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n\n IF ( SHUT3() ) THEN\n WRITE( LOGUNIT,92999 )\n & '>>----> Program BCON completed successfully <----<< '\n ELSE\n WRITE( LOGUNIT,91000 )\n & 'FATAL ERROR shutting down Models-3 I/O'\n END IF\n\n STOP\n\nC************************* FORMAT STATEMENTS ***************************\n\n92999 FORMAT ( //5X, A, // )\n\n91000 FORMAT ( //5X , '*** ERROR ABORT in program BCON ***',\n & /5X , A , // ) ! generic error message format\n\n END\n" }, { "path": "PREP/bcon/src/common/findex.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/BCON/src/common/findex.F,v 1.2 2011/10/21 16:52:32 yoj Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n INTEGER FUNCTION FINDEX (INDX, N, NLIST)\n\nC Searches for INDX in list NLIST and returns the subscript\nC (1...N) at which it is found, or returns 0 when NAME not\nC found in NLIST\n\n IMPLICIT NONE\n \n INTEGER INDX ! index being searched for\n INTEGER N ! Length of array to be searched\n INTEGER NLIST(*) ! array to be searched\n\n INTEGER I\n\n DO I = 1, N\n IF ( INDX .EQ. NLIST( I ) ) THEN ! found\n FINDEX = I\n RETURN\n END IF\n END DO\n FINDEX = 0 ! not found\n RETURN\n\n END\n\n" }, { "path": "PREP/bcon/src/common/lat_lon.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/BCON/src/common/lat_lon.F,v 1.2 2011/10/21 16:52:32 yoj Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\n SUBROUTINE LAT_LON ( COL, ROW, GDTYP, XORIG, YORIG, XCELL, YCELL,\n & XCENT, YCENT, P_ALP, P_BET, P_GAM, LAT, LON )\n \nC***********************************************************************\n \nC Function: Computes latitude and longitude of center of grid cells \n \nC Preconditions: None\n \nC Key Subroutines/Functions Called: SETLAM\nC SETPOL\nC SETEQM\nC LAM2LL\nC POL2LL\nC EQM2LL\nC UTM2LL\n \nC Revision History: Modified form of LAT_LON program originally created\nC by C. J. Coats -- Jerry Gipson, January 1998 \nC 06 Jun 11 J.Young: Replaced I/O API include files with M3UTILIO\nC 28 Aug 18 R.Mathur/S.Roselle: Added polar stereographic projection\nC grid type option \nC 21 Apr 21 C. Hogrefe: Added equatorial mercator projection\nC grid type option \n \nC***********************************************************************\n\n USE M3UTILIO ! IOAPI module\n\n IMPLICIT NONE \n\nC Arguments:\n INTEGER, INTENT( IN ) :: GDTYP ! Grid type\n INTEGER, INTENT( IN ) :: COL ! column\n INTEGER, INTENT( IN ) :: ROW ! row\n\n REAL( 8 ), INTENT( IN ) :: P_ALP ! 1st map projection parameter\n REAL( 8 ), INTENT( IN ) :: P_BET ! 2nd map projection parameter\n REAL( 8 ), INTENT( IN ) :: P_GAM ! 3rd map projection parameter\n\n REAL( 8 ), INTENT( IN ) :: XCELL ! X-dimension of cell (m)\n REAL( 8 ), INTENT( IN ) :: XCENT ! Longitude of coordinate system center\n REAL( 8 ), INTENT( IN ) :: XORIG ! X-origin of grid\n REAL( 8 ), INTENT( IN ) :: YCELL ! Y-dimension of cell (m)\n REAL( 8 ), INTENT( IN ) :: YCENT ! Latitude of coordinate system center\n REAL( 8 ), INTENT( IN ) :: YORIG ! Y-origin of grid\n\n REAL, INTENT( OUT ) :: LAT ! Output latitude\n REAL, INTENT( OUT ) :: LON ! Output longitude\n\nC Parameters: None\n\nC Local Variables:\n CHARACTER( 16 ) :: PNAME = 'LAT_LON'\n CHARACTER( 80 ) :: MSG = ' '\n\n INTEGER ZONE ! UTM zone\n\n REAL X, X0 ! X-dimension origin\n REAL Y, Y0 ! Y-dimension origin\n\nC***********************************************************************\n\n X0 = SNGL( XORIG - 0.5D+00 * XCELL )\n Y0 = SNGL( YORIG - 0.5D+00 * YCELL )\n\n IF ( GDTYP .EQ. LATGRD3 ) THEN ! LAT_LON Coordinates\n\n LAT = Y0 + FLOAT( ROW ) * SNGL( YCELL )\n LON = X0 + FLOAT( COL ) * SNGL( XCELL )\n \n ELSE IF ( GDTYP .EQ. LAMGRD3 ) THEN ! Lambert Coordinates\n\n IF ( .NOT. SETLAM( SNGL( P_ALP ), ! first, initialize\n & SNGL( P_BET ), ! for LAM2LL()\n & SNGL( P_GAM ),\n & SNGL( XCENT ), \n & SNGL( YCENT ) ) ) THEN\n MSG = 'Lambert projection setup error for CTM CONC file'\n CALL M3EXIT( PNAME, 0, 0, MSG, 2 )\n END IF\n \n X = X0 + FLOAT( COL ) * SNGL( XCELL )\n Y = Y0 + FLOAT( ROW ) * SNGL( YCELL )\n IF ( .NOT. LAM2LL( X, Y, LON, LAT ) ) THEN\n MSG = 'Lambert conversion error for CTM CONC file'\n CALL M3EXIT ( PNAME, 0, 0, MSG, 2 )\n END IF \n\n ELSE IF ( GDTYP .EQ. POLGRD3 ) THEN ! Polar Stereographic Projection\n\n IF ( .NOT. SETPOL( SNGL( P_ALP ), ! first, initialize\n & SNGL( P_BET ), ! for POL2LL()\n & SNGL( P_GAM ),\n & SNGL( XCENT ),\n & SNGL( YCENT ) ) ) THEN\n MSG='Polar stereographic projection setup error for CTM CONC file'\n CALL M3EXIT ( PNAME, 0, 0, MSG, 2 )\n END IF\n\n X = X0 + FLOAT( COL ) * SNGL( XCELL )\n Y = Y0 + FLOAT( ROW ) * SNGL( YCELL )\n IF ( .NOT. POL2LL( X, Y, LON, LAT ) ) THEN\n MSG = 'Polar stereographic conversion error for CTM CONC file'\n CALL M3EXIT ( PNAME, 0, 0, MSG, 2 )\n END IF\n\n ELSE IF ( GDTYP .EQ. EQMGRD3 ) THEN ! Equatorial Mercator Projection\n\n IF ( .NOT. SETEQM( SNGL( P_ALP ), ! first, initialize\n & SNGL( P_BET ), ! for EQM2LL()\n & SNGL( P_GAM ),\n & SNGL( XCENT ),\n & SNGL( YCENT ) ) ) THEN\n MSG='Equatorial mercator projection setup error for CTM CONC file'\n CALL M3EXIT ( PNAME, 0, 0, MSG, 2 )\n END IF\n\n X = X0 + FLOAT( COL ) * SNGL( XCELL )\n Y = Y0 + FLOAT( ROW ) * SNGL( YCELL )\n IF ( .NOT. EQM2LL( X, Y, LON, LAT ) ) THEN\n MSG = 'Equatorial mercator conversion error for CTM CONC file'\n CALL M3EXIT ( PNAME, 0, 0, MSG, 2 )\n END IF\n\n ELSE IF ( GDTYP .EQ. UTMGRD3 ) THEN ! UTM Coordinates\n\n ZONE = NINT( P_ALP )\n X = X0 + FLOAT( COL ) * SNGL( XCELL )\n Y = Y0 + FLOAT( ROW ) * SNGL( YCELL )\n CALL UTM2LL ( X, Y, ZONE, LON, LAT )\n\n ELSE ! Unsupported Coordinates\n\n WRITE( MSG, 94000) GDTYP\n CALL M3EXIT ( PNAME, 0, 0, MSG, 2 )\n\n END IF \n\n RETURN \n\nC************************* FORMAT Statements ***************************\n\n94000 FORMAT( 'LAT/LON calculations for GDTYP3D ',I1, ' not supported' )\n \n END\n" }, { "path": "PREP/bcon/src/common/lr_interp.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/BCON/src/common/lr_interp.F,v 1.2 2011/10/21 16:52:33 yoj Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\n \n SUBROUTINE LR_INTERP( L_RATINT, XA, YA, N, X, Y, DELY )\n\nC***********************************************************************\n \nC Function: Interpolates a value Y for a given X from the arrays XA and\nC YA. The flag L_RATINT determines whether linear or rational\nC function interpolation is done.\n \nC Preconditions: Extrapolation will be performed unless controlled by \nC the calling routine\n \nC Key Subroutines/Functions Called: None\n \nC Revision History:\nC Prototype created by Jerry Gipson, January, 1998\nC Rational Function Interpolation is from Numerical Recipes\nC (Press et al., 19??)\nC Linear interpolation equation modified by JG 6/1/99 to better treat\nC large conc gradients\nC Improved Linear interpolation algorithm by JG 4/18/00 for interpolants\nC close to interval end points\nC M3UTILIO for M3EXIT by J.Young 7/13/11\n \nC***********************************************************************\n\n USE M3UTILIO ! IOAPI module\n\n IMPLICIT NONE \n\nC Includes: None\n \nC Arguments:\n LOGICAL, INTENT( IN ) :: L_RATINT ! Flag for rational function interpolation\n\n REAL, INTENT( IN ) :: XA( : ) ! Independent variable array\n REAL, INTENT( IN ) :: YA( : ) ! Dependent variable array\n REAL, INTENT( IN ) :: X ! Value of independent variable to be interpolated\n REAL, INTENT( OUT ) :: Y ! Interpolated value of dependent variable\n REAL, INTENT( OUT ) :: DELY ! Error estimate for rational function interpolation\n\n INTEGER, INTENT( IN ) :: N ! Number of values in arrays XA and YA\n\nC Parameters:\n INTEGER, PARAMETER :: NMAX = 100 ! Maximum number of points in arrays AX and YA\n REAL, PARAMETER :: TINY = 1.0E-35 ! Tiny number\n REAL, PARAMETER :: EPS = 1.0E-05 ! Small number\n\nC External Functions: None\n\nC Local Variables:\n CHARACTER( 16 ) :: PNAME = 'LR_INTERP' ! Procedure Name\n CHARACTER( 80 ) :: MSG ! Log message\n\n INTEGER I, M ! Loop indices\n INTEGER NS ! Rat Func temporary variable\n\n REAL DX ! Incremental delta of independent variable\n! REAL DY ! Incremental delta of dependent variable\n REAL SX ! Incremental independent value for interpolation \n REAL SLP ! Slope for linear interpolation\n\n REAL H, HH, T, DD, W ! Rat Func temporary variables\n\n REAL :: C( NMAX ) ! Rat Func temporary variable\n REAL :: D( NMAX ) ! Rat Func temporary variable\n\nC***********************************************************************\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Linear interpolation section\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( .NOT. L_RATINT ) THEN\n\n DELY = 0.0\n\n IF ( ( XA( 1 ) .LT. XA( 2 ) .AND. X .LE. XA( 1 ) ) .OR.\n & ( XA( 1 ) .GT. XA( 2 ) .AND. X .GE. XA( 1 ) ) ) THEN \n\n DX = XA( 2 ) - XA( 1 )\n\n IF ( DX .EQ. 0.0 ) THEN\n MSG = 'Invalid Independent variables for interpolation'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n\n Y = YA( 1 ) + ( ( X - XA( 1 ) ) / DX ) * YA( 1 )\n\n RETURN\n\n END IF\n\n IF ( ( XA( N ) .GT. XA( N - 1 ) .AND. X .GE. XA( N ) ) .OR.\n & ( XA( N ) .LT. XA( N - 1 ) .AND. X .LE. XA( N ) ) ) THEN \n\n DX = XA( N ) - XA( N - 1 )\n\n IF ( DX .EQ. 0.0 ) THEN\n MSG = 'Invalid Independent variables for interpolation'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n\n Y = YA( N ) + ( ( X - XA( N ) ) / DX ) * YA( N - 1 )\n\n RETURN\n\n END IF\n\n DO I = 1, N - 1\n\n DX = ABS( XA( I + 1 ) - XA( I ) )\n IF ( DX .EQ. 0.0 ) THEN\n MSG = 'Invalid Independent variables for interpolation'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n! DY = YA( I + 1 ) - YA( I )\n SX = ABS( X - XA( I ) )\n\n IF ( SX - DX .LT. EPS ) THEN\n\n! Y = YA( I ) + ( ( X - XA( I ) ) / \n! & ( XA( I + 1 ) - XA( I ) ) ) * DY\n\n SLP = ( X - XA( I ) ) / ( XA( I + 1 ) - XA( I ) )\n IF ( SLP .GT. 0.99999 ) SLP = 1.0\n IF ( SLP .LT. 0.00001 ) SLP = 0.0\n\n Y = ( 1.0 - SLP ) * YA( I ) + SLP * YA( I+1 )\n\n RETURN\n\n END IF\n\n END DO\n\n MSG = 'No interval found for linear interpolation'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT2 )\n\n END IF\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Rational function interpolation section\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n NS = 1\n HH = ABS( X - XA( 1 ) )\n\n DO I = 1, N\n H = ABS( X -XA( I ) )\n IF ( H .EQ. 0.0 ) THEN\n Y = YA( I )\n DELY = 0.0\n RETURN\n ELSE IF ( H .LT. HH ) THEN\n NS = I\n HH = H\n END IF\n C( I ) = YA( I )\n D( I ) = YA( I ) + TINY\n END DO\n\n Y = YA( NS )\n NS = NS - 1\n\n DO M = 1, N - 1\n DO I = 1, N - M\n W = C( I + 1 ) - D( I )\n H = XA( I + M ) - X\n T = ( XA( I ) - X ) * D( I ) / H\n DD = T - C( I + 1 )\n\n IF ( DD .EQ. 0.0 ) THEN\n MSG = 'Rational function interpolation error'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n DD = W / DD\n D( I ) = C( I + 1 ) * DD\n C( I ) = T * DD\n END DO\n\n IF ( 2 * NS .LT. N - M ) THEN\n DELY = C( NS + 1 )\n ELSE\n DELY = D( NS )\n NS = NS - 1\n END IF\n\n Y = Y + DELY\n\n END DO\n\n RETURN\n\n END\n" }, { "path": "PREP/bcon/src/common/opn_bc_file.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/BCON/src/common/opn_bc_file.F,v 1.2 2011/10/21 16:52:33 yoj Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\n\n SUBROUTINE OPN_BC_FILE ( LOGUNIT, SDATE, STIME, TSTEP, NSPCS_OUT,\n & SPNAME_OUT, VTYPE_OUT, UNITS_OUT,\n & VDESC_OUT, BC_FNAME, RINDX )\n\nC***********************************************************************\n \nC Function: Sets most of the Models-3 file description parameters for \nC the BC output file and opens it.\n \nC Preconditions: None\n \nC Key Subroutines/Functions Called: None \n \nC Revision History:\nC Prototype created by Jerry Gipson, January, 1998 \nC Output format modified by JG 4/24/98 \nC Added units for aerosol surface area JG 4/22/99 \nC 02/25/02 Steve Howard (Jeff Young) - dynamic allocation\nC 01/05/05 J.Young: vert dyn alloc - Use VGRD_DEFN\nC 13 Jul 11 J.Young: Replaced I/O API include files with M3UTILIO and\nC Namelist for species definitions\nC 23 May 12 J.Young: Replaced BC_PARMS include file with an F90 module\n \nC***********************************************************************\n USE HGRD_DEFN ! Module to store and load the horizontal grid variables\n USE VGRD_DEFN ! vertical layer specifications\n USE M3UTILIO ! IOAPI module\n USE BC_PARMS ! BCON parameters\n\n IMPLICIT NONE \n\nC Include Files: None\n\nC Arguments: \n CHARACTER( 16 ), INTENT( OUT ) :: BC_FNAME( : ) ! Logical names of BC Output file(s)\n CHARACTER( 16 ), INTENT( IN ) :: SPNAME_OUT( : ) ! Ouput file species names\n CHARACTER( 16 ), INTENT( IN ) :: UNITS_OUT( : )\n CHARACTER( 80 ), INTENT( IN ) :: VDESC_OUT( : )\n\n INTEGER, INTENT( IN ) :: LOGUNIT ! Unit number for output log\n INTEGER, INTENT( IN ) :: NSPCS_OUT ! Number of IC species on output file(s)\n INTEGER, INTENT( IN ) :: RINDX ! Index of root file name\n INTEGER, INTENT( IN ) :: SDATE ! Date for IC Output\n INTEGER, INTENT( IN ) :: STIME ! Time for IC output\n INTEGER, INTENT( IN ) :: TSTEP ! Time step\n INTEGER, INTENT( IN ) :: VTYPE_OUT( : ) ! Variable type (e.g. integer, real, ...)\n\nC Parameters: None\n\nC External Functions: None\n\nC Local Variables:\n CHARACTER( 16 ) :: BUF16 ! 16 character buffer\n CHARACTER( 3 ) :: CHRDAT ! 3 character buffer\n CHARACTER( 16 ) :: ENV_DFLT ! Default value for env variable\n CHARACTER( 80 ) :: ENV_DESC ! Description of env variable \n CHARACTER( 80 ) :: MSG ! Log message\n CHARACTER( 16 ) :: PNAME = 'OPN_BC_FILE' ! Procedure Name\n CHARACTER( 256 ) :: RET_VAL ! Return value of an env variable\n\n INTEGER L, N, V ! Loop indices\n INTEGER NUMFLS ! Number of output IC files\n INTEGER SPOS1, EPOS1 ! Start and end position of char string\n INTEGER SPOS2, EPOS2 ! Start and end position of char string\n INTEGER STATUS ! Status code\n INTEGER VARINDX ! Variable index\n\nC***********************************************************************\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Write log information\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n WRITE( LOGUNIT, 92000 )\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get the value of environment variable EXECUTION_ID\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n ENV_DESC = 'Value of environment variable EXECUTION_ID' \n ENV_DFLT = '-----------' \n CALL ENVSTR ( 'EXECUTION_ID', ENV_DESC, ENV_DFLT, RET_VAL, STATUS )\n EXECN3D = RET_VAL\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Set start date, start time, and time step\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n SDATE3D = SDATE\n STIME3D = STIME\n TSTEP3D = TSTEP\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Set start date, start time, and time step\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n FTYPE3D = BNDARY3\n NVARS3D = NSPCS_OUT\n NCOLS3D = NCOLS\n NROWS3D = NROWS\n NLAYS3D = NLAYS\n NTHIK3D = NTHIK\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Set coordinate data\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n! GDNAM3D = GDNAME_GD ! e.g. / 'EAST_US' /\n GDNAM3D = GRID_NAME ! from HGRD_DEFN\n GDTYP3D = GDTYP_GD ! / LAMGRD3 /\n P_ALP3D = P_ALP_GD ! / 30.0 / ! degrees\n P_BET3D = P_BET_GD ! / 60.0 / ! degrees\n P_GAM3D = P_GAM_GD ! / -90.0 / ! degrees\n\n XCENT3D = XCENT_GD ! / -90.0 / ! degrees longitude\n YCENT3D = YCENT_GD ! / 40.0 / ! degrees latitude\n XORIG3D = XORIG_GD ! / -880000.0 / ! m, for cross grid here\n YORIG3D = YORIG_GD ! / -1720000.0 / ! m, for cross grid here\n XCELL3D = XCELL_GD ! / 80000.0 / ! m\n YCELL3D = YCELL_GD ! / 80000.0 / ! m\n\n VGTYP3D = VGTYP_GD ! / VGSGPN3 / ! 2: Sigma-P0\n VGTOP3D = VGTOP_GD ! / 10000.0 / ! Pa\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Set vertical levels\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n DO L = 1, NLAYS + 1\n VGLVS3D ( L ) = VGLVS_GD ( L )\n END DO \n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Set character descriptors\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n DO N = 1, MXDESC3\n FDESC3D( N ) = ' '\n UPDSC3D( N ) = ' '\n END DO\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Set-up output file header data, compute the number of output\nc files needed, and open each one\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( MOD( NSPCS_OUT, MXVARS3 ) .EQ. 0 ) THEN\n NUMFLS = NSPCS_OUT / MXVARS3\n ELSE\n NUMFLS = ( NSPCS_OUT / MXVARS3 ) + 1\n END IF\n \n WRITE( LOGUNIT, 92020 ) NUMFLS\n\n DO N = 1, NUMFLS\n\n WRITE( CHRDAT, '( I3 )' ) N\n SPOS1 = LBLANK( CHRDAT ) + 1\n EPOS1 = LEN_TRIM( CHRDAT )\n\n SPOS2 = LBLANK( BCFL_ROOT( RINDX ) ) + 1\n EPOS2 = LEN_TRIM( BCFL_ROOT( RINDX ) )\n\n BUF16 = BCFL_ROOT( RINDX )\n\n BC_FNAME( N ) = BUF16( SPOS2:EPOS2 ) // CHRDAT( SPOS1:EPOS1 )\n\n ENV_DESC = 'BC Output file ' // BC_FNAME( N ) \n ENV_DFLT = ' ' \n CALL ENVSTR ( BC_FNAME( N ), ENV_DESC, ENV_DFLT, RET_VAL, STATUS)\n\n IF ( STATUS .NE. 0 ) THEN\n MSG = 'BC output file ' // BC_FNAME( N ) // ' not assigned'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n FDESC3D( 1 ) = 'BCON output file ' // BC_FNAME( N )\n NVARS3D = MIN( MXVARS3,\n & ( NSPCS_OUT - ( N - 1 ) * MXVARS3 ) )\n \n DO V = 1, NVARS3D\n\n VARINDX = ( N - 1 ) * MXVARS3 + V\n VTYPE3D( V ) = VTYPE_OUT( VARINDX )\n VNAME3D( V ) = SPNAME_OUT( VARINDX )\n UNITS3D( V ) = UNITS_OUT( VARINDX )\n VDESC3D( V ) = VDESC_OUT( VARINDX )\n \n END DO\n \n WRITE( LOGUNIT, 92040 ) N, BC_FNAME( N )\n\n WRITE( LOGUNIT, 92060 ) EXECN3D, FTYPE3D, SDATE3D, STIME3D,\n & TSTEP3D, NCOLS3D, NROWS3D, NLAYS3D,\n & NTHIK3D, NVARS3D, GDTYP3D, P_ALP3D,\n & P_BET3D, P_GAM3D, XCENT3D, YCENT3D,\n & XORIG3D, YORIG3D, XCELL3D, YCELL3D,\n & VGTYP3D, VGTOP3D, GDNAM3D \n\n WRITE( LOGUNIT, 92080 ) ( VGLVS3D( L ), L = 1, NLAYS + 1 )\n\n WRITE( LOGUNIT, 92100 )\n\n DO V = 1, NVARS3D\n WRITE( LOGUNIT, 92120 ) VNAME3D( V ), VTYPE3D( V ), UNITS3D( V )\n END DO\n\n IF ( .NOT. OPEN3( BC_FNAME( N ), FSUNKN3, PNAME ) ) THEN\n MSG = 'Could not open nor create ' // BC_FNAME( N ) //\n & ' file ' \n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n END DO\n\n RETURN\n\nC************************* FORMAT STATEMENTS ***************************\n\n92000 FORMAT( // 1X, 79( '#' ) \n & / 1X, '# Output File Section '\n & / 1X, 79( '#' ) )\n\n92020 FORMAT( // 5X, 'Total number of ouput files created: ', I1 )\n\n92040 FORMAT( // 5X, 'IO/API Header data for BC file ', I1, ': ', A )\n92060 FORMAT( /10X, 'EXEC_ID: ', A \n & /10X, 'FTYPE = ', I4 \n & /10X, 'SDATE = ', I7\n & /10X, 'STIME = ', I7\n & /10X, 'TSTEP = ', I7\n & /10X, 'NCOLS = ', I4\n & /10X, 'NROWS = ', I4\n & /10X, 'NLAYS = ', I4\n & /10X, 'NTHIK = ', I4\n & /10X, 'NVARS = ', I4\n & /10X, 'GDTYP = ', I4\n & /10X, 'P_ALP = ', 1PE14.5\n & /10X, 'P_BET = ', 1PE14.5\n & /10X, 'P_GAM = ', 1PE14.5\n & /10X, 'XCENT = ', 1PE14.5\n & /10X, 'YCENT = ', 1PE14.5\n & /10X, 'XORIG = ', 1PE14.5\n & /10X, 'YORIG = ', 1PE14.5\n & /10X, 'XCELL = ', 1PE14.5\n & /10X, 'YCELL = ', 1PE14.5\n & /10X, 'VGTYP = ', I4\n & /10X, 'VGTOP = ', 1PE14.5 \n & /10X, 'GDNAM = ', A ) \n92080 FORMAT( /10X, 'VGLVS = ', 5 ( 1PE14.5 ) /\n & ( 11X, ' ', 5 ( 1PE14.5 ) ) )\n92100 FORMAT( //10X, 'Output Variables:'\n & /10X, 'Variable name Variable type Variable units ' )\n92120 FORMAT( 10X, A16, 8X, I1, 10X, A ) \n\n END\n" }, { "path": "PREP/bcon/src/m3conc/m3_bcout.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/BCON/src/m3conc/m3_bcout.F,v 1.2 2011/10/21 16:52:34 yoj Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\n\n SUBROUTINE M3_BCOUT( LOGUNIT,\n & N_CTM_FLS,\n & SDATE, STIME, NSTEPS,\n & NCOLS_IN, NROWS_IN, NLAYS_IN, NSPCS_IN,\n & CTM_FL_NAME, INFL_SP_NAME,\n & VTYPE_IN, UNITS_IN, VDESC_IN )\n\nC*************************************************************************\n \nC Function: Reads the input models-3 concentration file(s) and opens and\nC writes the output BC file\n \nC Preconditions: None\n \nC Key Subroutines/Functions Called: \n \nC Revision History:\nC Prototype created by Jerry Gipson, January, 1998\nC Modified by JG May, 1999 to treat PinG concs\nC 02/25/02 Steve Howard (Jeff Young) - dynamic allocation\nC 01/05/05 J.Young: vert dyn alloc - Use VGRD_DEFN eliminate malloc calls\nC 13 Jul 11 J.Young: Replaced I/O API include files with M3UTILIO and\nC Namelist for species definitions\nC 23 May 12 J.Young: Replaced BC_PARMS include file with an F90 module\nC 14 Sep 18 S.Roselle: Removed species mapping\n \nC*************************************************************************\n\n USE HGRD_DEFN ! Module to store and load the horizontal grid variables\n USE VGRD_DEFN ! vertical layer specifications\n USE M3UTILIO ! IOAPI module\n USE BC_PARMS ! BCON parameters\n\n IMPLICIT NONE \n\nC Arguments: \n INTEGER, INTENT( IN ) :: LOGUNIT ! Unit number for output log\n INTEGER, INTENT( IN ) :: N_CTM_FLS ! Number of input CTM files\n INTEGER, INTENT( IN ) :: SDATE ! Date for BC Output\n INTEGER, INTENT( IN ) :: STIME ! Time for BC output\n INTEGER, INTENT( IN ) :: NSTEPS ! Run duration, as number of output time steps\n INTEGER, INTENT( IN ) :: NCOLS_IN ! No. of columns in input conc file\n INTEGER, INTENT( IN ) :: NLAYS_IN ! No. of layers in input conc file\n INTEGER, INTENT( IN ) :: NROWS_IN ! No. of rows in input conc file\n INTEGER, INTENT( IN ) :: NSPCS_IN ! Total No. of species in input conc file(s)\n CHARACTER( 16 ), INTENT( IN ) :: CTM_FL_NAME( : ) ! Name of CTM_CONC file\n CHARACTER( 16 ), INTENT( IN ) :: INFL_SP_NAME( : ) ! Name of input CTM species\n CHARACTER( 16 ), INTENT( IN ) :: UNITS_IN( : ) ! Units for CTM species\n CHARACTER( 80 ), INTENT( IN ) :: VDESC_IN( : ) ! Variable description for CTM species\n\n INTEGER, INTENT( IN ) :: VTYPE_IN( : ) ! variable type for CTM species\n\nC Parameters:\n REAL, PARAMETER :: CMIN = 1.0E-30 ! Minimum output concentration\n\nC External Functions: None\n \nC Local Variables:\n CHARACTER( 16 ) :: PNAME = 'M3_BCOUT' ! Procedure Name\n CHARACTER( 80 ) :: MSG ! Log message\n CHARACTER( 16 ) :: VNAME ! Species name on CTM conc file\n CHARACTER( 16 ), ALLOCATABLE :: BC_FNAME( : ) ! Logical names of BC Output file(s)\n\n INTEGER C ! Column loop indices\n INTEGER FLN ! BC output file number\n INTEGER ISP ! Array indices for species\n INTEGER JDATE ! Current date\n INTEGER JTIME ! Current time\n INTEGER L ! Layer loop index\n INTEGER N ! Loop indices for species\n INTEGER NBND ! Bndry cell loop index\n INTEGER NCELL ! Boundary cell index\n INTEGER R ! Row loop indices\n INTEGER STEP ! Time step loop index\n INTEGER TSTEP ! Time step on CTM file, hhmmss\n INTEGER ALLOCSTAT ! Status returned from array allocation\n\n INTEGER, ALLOCATABLE :: COL_LOC( : ) ! Output BC col corresponding to\n ! a cell in the input CTM file\n INTEGER, ALLOCATABLE :: ROW_LOC( : ) ! Output BC row corresponding to\n ! a cell in the input CTM file\n\n LOGICAL LNEG ! Flag for negative concentration\n\n REAL DMIN ! Smallest distance between cell centers\n REAL LAT ! Latitude of center of cell for the BC output file\n REAL LON ! Longitude of center of cell for the BC output file\n REAL X1 ! longitudenal distance between cell centers\n REAL Y1 ! latitudinal distance between cell centers\n\n REAL, ALLOCATABLE :: LAT_OUT( : ) ! Lat of cells in BC output file\n REAL, ALLOCATABLE :: LON_OUT( : ) ! Lon of cells in BC output file\n\n REAL, ALLOCATABLE :: LAT_IN( :,: ) ! Lat of cells in CTM conc file\n REAL, ALLOCATABLE :: LON_IN( :,: ) ! Lon of cells in CTM conc file\n\n REAL, ALLOCATABLE :: COUT( :,: ) ! Substituted output BC conc\n REAL, ALLOCATABLE :: CONCIN( :,:,: ) ! Input concs\n REAL, ALLOCATABLE :: BCIN( :,:,: ) ! Horizontally set BCs\n REAL, ALLOCATABLE :: BCVI( :,:,: ) ! Vertically interpolated BCs\n\n INTERFACE\n\n SUBROUTINE LAT_LON ( COL, ROW, GDTYP, XORIG, YORIG, XCELL, YCELL,\n & XCENT, YCENT, P_ALP, P_BET, P_GAM, LAT, LON )\n INTEGER, INTENT( IN ) :: GDTYP\n INTEGER, INTENT( IN ) :: COL\n INTEGER, INTENT( IN ) :: ROW\n REAL( 8 ), INTENT( IN ) :: P_ALP\n REAL( 8 ), INTENT( IN ) :: P_BET\n REAL( 8 ), INTENT( IN ) :: P_GAM\n REAL( 8 ), INTENT( IN ) :: XCELL\n REAL( 8 ), INTENT( IN ) :: XCENT\n REAL( 8 ), INTENT( IN ) :: XORIG\n REAL( 8 ), INTENT( IN ) :: YCELL\n REAL( 8 ), INTENT( IN ) :: YCENT\n REAL( 8 ), INTENT( IN ) :: YORIG\n REAL, INTENT( OUT ) :: LAT\n REAL, INTENT( OUT ) :: LON\n END SUBROUTINE LAT_LON\n\n SUBROUTINE M3_VINTERP ( LOGUNIT, JDATE, JTIME,\n & NCOLS_IN, NROWS_IN, NLAYS_IN, NSPCS_IN,\n & COL_LOC, ROW_LOC,\n & BCIN, BCVI, CTM_FL_NAME )\n INTEGER, INTENT( IN ) :: LOGUNIT\n INTEGER, INTENT( IN ) :: JDATE\n INTEGER, INTENT( IN ) :: JTIME\n INTEGER, INTENT( IN ) :: NCOLS_IN\n INTEGER, INTENT( IN ) :: NROWS_IN\n INTEGER, INTENT( IN ) :: NLAYS_IN\n INTEGER, INTENT( IN ) :: NSPCS_IN\n INTEGER, INTENT( IN ) :: COL_LOC( : )\n INTEGER, INTENT( IN ) :: ROW_LOC( : )\n REAL, INTENT( IN ) :: BCIN( :,:,: )\n REAL, INTENT( OUT ) :: BCVI( :,:,: )\n CHARACTER( 16 ), INTENT( IN ) :: CTM_FL_NAME( : )\n END SUBROUTINE M3_VINTERP\n\n SUBROUTINE OPN_BC_FILE ( LOGUNIT, SDATE, STIME, TSTEP, NSPCS_OUT,\n & SPNAME_OUT, VTYPE_OUT, UNITS_OUT,\n & VDESC_OUT, BC_FNAME, RINDX )\n CHARACTER( 16 ), INTENT( OUT ) :: BC_FNAME( : )\n CHARACTER( 16 ), INTENT( IN ) :: SPNAME_OUT( : )\n CHARACTER( 16 ), INTENT( IN ) :: UNITS_OUT( : )\n CHARACTER( 80 ), INTENT( IN ) :: VDESC_OUT( : )\n INTEGER, INTENT( IN ) :: LOGUNIT\n INTEGER, INTENT( IN ) :: NSPCS_OUT\n INTEGER, INTENT( IN ) :: RINDX\n INTEGER, INTENT( IN ) :: SDATE\n INTEGER, INTENT( IN ) :: STIME\n INTEGER, INTENT( IN ) :: TSTEP\n INTEGER, INTENT( IN ) :: VTYPE_OUT( : )\n END SUBROUTINE OPN_BC_FILE\n\n END INTERFACE\n\nC***********************************************************************\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc allocate arrays\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n ALLOCATE( BC_FNAME( MXCTMS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n MSG = 'Failure allocating BC_FNAME'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n ALLOCATE( COL_LOC( NBNDY ), ROW_LOC( NBNDY ),\n & STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n MSG = 'Failure allocating COL_LOC, ROW_LOC'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n ALLOCATE( LAT_OUT( NBNDY ), LON_OUT( NBNDY ),\n & STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n MSG = 'Failure allocating LAT_OUT, LON_OUT'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n ALLOCATE( LAT_IN( NCOLS_IN,NROWS_IN ), LON_IN( NCOLS_IN,NROWS_IN ),\n & STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n MSG = 'Failure allocating LAT_IN, LON_IN'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n ALLOCATE( COUT( NBNDY,NLAYS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n MSG = 'Failure allocating COUT'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n ALLOCATE( CONCIN( NCOLS_IN,NROWS_IN,NLAYS_IN ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n MSG = 'Failure allocating CONCIN'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n ALLOCATE( BCIN( NBNDY,NLAYS_IN,NSPCS_IN ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n MSG = 'Failure allocating BCIN'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n ALLOCATE( BCVI( NBNDY,NLAYS,NSPCS_IN ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n MSG = 'Failure allocating BCVI'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n write( logunit,* ) ' '\n write( logunit,* ) ' NCOLS_IN: ', NCOLS_IN\n write( logunit,* ) ' NROWS_IN: ', NROWS_IN\n write( logunit,* ) ' NLAYS_IN: ', NLAYS_IN\n write( logunit,* ) ' NSPCS_IN: ', NSPCS_IN\n write( logunit,* ) ' NBNDY: ', NBNDY\n write( logunit,* ) ' NLAYS: ', NLAYS\n write( logunit,* ) ' '\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Compute the lat and lon of the center of each input cell\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( .NOT. DESC3( CTM_FL_NAME( 1 ) ) ) THEN\n MSG = 'Could not read DESC of ' // CTM_FL_NAME( 1 )\n & // ' file'\n CALL M3EXIT ( PNAME, SDATE, STIME, MSG, XSTAT2 )\n END IF\n\n DO C = 1, NCOLS_IN\n DO R = 1, NROWS_IN\n CALL LAT_LON ( C, R, GDTYP3D, XORIG3D, YORIG3D,\n & XCELL3D, YCELL3D, XCENT3D, YCENT3D,\n & P_ALP3D, P_BET3D, P_GAM3D,\n & LAT_IN( C,R ), LON_IN( C,R ) )\n END DO\n END DO\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Compute the lat and lon of the center of each output BC cell\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC South border\n NCELL = 0\n DO C = 1, NCOLS + 1\n R = 0\n NCELL = NCELL + 1\n CALL LAT_LON ( C, R, GDTYP_GD, XORIG_GD, YORIG_GD,\n & XCELL_GD, YCELL_GD, XCENT_GD, YCENT_GD,\n & P_ALP_GD, P_BET_GD, P_GAM_GD,\n & LAT_OUT( NCELL ), LON_OUT( NCELL ) )\n END DO\n\nC East border\n DO R = 1, NROWS + 1\n C = NCOLS + 1\n NCELL = NCELL + 1\n CALL LAT_LON ( C, R, GDTYP_GD, XORIG_GD, YORIG_GD,\n & XCELL_GD, YCELL_GD, XCENT_GD, YCENT_GD,\n & P_ALP_GD, P_BET_GD, P_GAM_GD,\n & LAT_OUT( NCELL ), LON_OUT( NCELL ) )\n END DO\n\nC North border\n DO C = 0, NCOLS\n R = NROWS + 1\n NCELL = NCELL + 1\n CALL LAT_LON ( C, R, GDTYP_GD, XORIG_GD, YORIG_GD,\n & XCELL_GD, YCELL_GD, XCENT_GD, YCENT_GD,\n & P_ALP_GD, P_BET_GD, P_GAM_GD,\n & LAT_OUT( NCELL ), LON_OUT( NCELL ) )\n END DO\n\nC West border\n DO R = 0, NROWS\n C = 0\n NCELL = NCELL + 1\n CALL LAT_LON ( C, R, GDTYP_GD, XORIG_GD, YORIG_GD,\n & XCELL_GD, YCELL_GD, XCENT_GD, YCENT_GD,\n & P_ALP_GD, P_BET_GD, P_GAM_GD,\n & LAT_OUT( NCELL ), LON_OUT( NCELL ) )\n END DO\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Map the CTM file LAT/LONs to the BC file LAT/LONs\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n DO N = 1, NBNDY\n LAT = LAT_OUT( N )\n LON = LON_OUT( N )\n DMIN = 1.0E+30\n DO C = 1, NCOLS_IN\n DO R = 1, NROWS_IN\n Y1 = ( LAT - LAT_IN( C,R ) ) ** 2\n X1 = ( LON - LON_IN( C,R ) ) ** 2\n IF ( ( X1 + Y1 ) .LT. DMIN ) THEN \n DMIN = X1 + Y1\n COL_LOC( N ) = C\n ROW_LOC( N ) = R\n END IF\n END DO\n END DO\n END DO\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Call the spatial interpolation routine to log info only \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n CALL M3_VINTERP ( LOGUNIT, SDATE, STIME, NCOLS_IN, NROWS_IN, NLAYS_IN,\n & NSPCS_IN, COL_LOC, ROW_LOC, BCIN, BCVI, CTM_FL_NAME )\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Call the routine to open the Models3 BC output file\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( .NOT. DESC3( CTM_FL_NAME( 1 ) ) ) THEN\n MSG = 'Could not read DESC of ' // CTM_FL_NAME( 1 ) // ' file'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n\nC...if the input conc file in time independent, then make the BC file\nC... time independent as well\n\n IF ( TSTEP3D .EQ. 0 ) THEN\n TSTEP = 0\n\nC...if the input conc file is time dependent, then set the timestep to be same\nC... as the target domain's met input file\n\n ELSE\n IF ( .NOT. DESC3( MET_BDY_3D_FIN ) ) THEN\n MSG = 'Could not read DESC of ' // MET_BDY_3D_FIN // ' file'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n\n TSTEP = TSTEP3D\n END IF\n\n CALL OPN_BC_FILE ( LOGUNIT, SDATE, STIME, TSTEP, NSPCS_IN,\n & INFL_SP_NAME, VTYPE_IN, UNITS_IN, VDESC_IN,\n & BC_FNAME, 1 )\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Top of loop over output time steps \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n JDATE = SDATE\n JTIME = STIME\n\n DO STEP = 1, NSTEPS\n\nC Read the concentration file(s)\n LNEG = .FALSE.\n ISP = 0\n\n DO N = 1, N_CTM_FLS\n\n IF ( .NOT. DESC3( CTM_FL_NAME( N ) ) ) THEN\n MSG = 'Could not read DESC of ' // CTM_FL_NAME( N ) \n & // ' file'\n CALL M3EXIT ( PNAME, JDATE, JTIME, MSG, XSTAT2 )\n END IF\n\n DO ISP = 1, NSPCS_IN\n\n VNAME = INFL_SP_NAME( ISP )\n\n IF ( .NOT. INTERP3( CTM_FL_NAME( N ), VNAME, PNAME, JDATE, JTIME,\n & NCOLS_IN*NROWS_IN*NLAYS_IN, CONCIN ) ) THEN\n MSG = 'Could not read input CTM Conc file ' //\n & CTM_FL_NAME( N ) \n CALL M3EXIT ( PNAME, JDATE, JTIME, MSG, XSTAT2 )\n END IF\n\n\n DO NBND = 1, NBNDY\n C = COL_LOC( NBND )\n R = ROW_LOC( NBND )\n DO L = 1, NLAYS_IN\n BCIN( NBND,L,ISP ) = CONCIN( C,R,L )\n END DO\n END DO\n\n END DO \n\n END DO\n\nC Do the spatial interpolation\n CALL M3_VINTERP ( LOGUNIT, JDATE, JTIME, NCOLS_IN, NROWS_IN,\n & NLAYS_IN, NSPCS_IN, COL_LOC, ROW_LOC, BCIN,\n & BCVI, CTM_FL_NAME )\n \nC Write the output BC concentrations \n DO ISP = 1, NSPCS_IN\n\n FLN = ( ISP - 1 ) / MXVARS3 + 1\n VNAME = INFL_SP_NAME( ISP )\n\n DO L = 1, NLAYS\n DO NBND = 1, NBNDY\n COUT( NBND,L ) = BCVI( NBND,L,ISP )\n! IF ( COUT( NBND,L ) .LT. 0.0 ) THEN\n! LNEG = .TRUE.\n! ELSE IF ( COUT( NBND,L ) .LT. CMIN ) THEN\n! COUT( NBND,L ) = CMIN \n! END IF\n END DO\n END DO\n\n IF ( .NOT. WRITE3( BC_FNAME( FLN ), VNAME, JDATE, JTIME,\n & COUT( 1,1 ) ) ) THEN\n MSG = 'Could not WRITE species ' // VNAME // \n & 'to file ' // BC_FNAME( FLN ) \n CALL M3EXIT ( PNAME, JDATE, JTIME, MSG, XSTAT2 )\n END IF\n\n END DO\n\n! IF ( LNEG ) THEN\n! MSG = 'Negative BCs output'\n! CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT2 ) \n! END IF\n\n WRITE( LOGUNIT, '( /5X, 3( A, :, 1X ), I8, \":\", I6.6 )' )\n & 'Timestep written to', BC_FNAME( FLN ),\n & 'for date and time', JDATE, JTIME\n\n CALL NEXTIME ( JDATE, JTIME, TSTEP )\n\n END DO\n\n RETURN\n\n END\n" }, { "path": "PREP/bcon/src/m3conc/m3_ck_bdy.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/BCON/src/m3conc/m3_ck_bdy.F,v 1.2 2011/10/21 16:52:34 yoj Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\n\n SUBROUTINE CK_BDY_FL ( LOGUNIT, SDATE, STIME, TSTEP, NSTEPS )\n\nC***********************************************************************\n \nC Function: To check input MET_BDY_3D file for consistency with\nC the LAYER_FILE/VGRD_DEFN data\n \nC Preconditions: None\n \nC Key Subroutines/Functions Called: None\n \nC Revision History:\nC Prototype created by Jerry Gipson, May, 1999\nC 02/25/02 Steve Howard (Jeff Young) - dynamic allocation\nC 01/05/05 J.Young: vert dyn alloc - Use VGRD_DEFN\nC 13 JuL 11 J.Young: Replaced I/O API include files with M3UTILIO\nC 23 May 12 J.Young: Replaced BC_PARMS include file with an F90 module\nC 10 June 19 F. Sidi : Commented Out LOGICAL LFIRST & INTEGER N because it is unused\n \nC***********************************************************************\n\n USE HGRD_DEFN ! Module to store and load the horizontal grid variables\n USE VGRD_DEFN ! vertical layer specifications\n USE M3UTILIO ! IOAPI module\n USE BC_PARMS ! BCON parameters\n\n IMPLICIT NONE \n\nC Include Files: None\n\nC Arguments:\n INTEGER, INTENT( IN ) :: LOGUNIT ! Unit number for output log\n INTEGER, INTENT( IN ) :: SDATE ! Start date\n INTEGER, INTENT( IN ) :: STIME ! Start time\n INTEGER, INTENT( IN ) :: TSTEP ! Time step\n INTEGER, INTENT( IN ) :: NSTEPS ! No. of time steps\n\nC Parameters: None\n\nC External Functions: None\n\nC Local Variables:\n CHARACTER( 80 ) :: MSG = ' ' ! Log message\n CHARACTER( 16 ) :: PNAME = 'CK_BDY_FL' ! Procedure Name\n CHARACTER( 15 ) :: VAL1 ! Character value of real\n CHARACTER( 15 ) :: VAL2 ! Character value of real\n\n INTEGER JDATE ! Current date\n INTEGER JTIME ! Current time\n! INTEGER N\n INTEGER L ! Loop indices\n\n LOGICAL LERROR ! Error Flag\n! LOGICAL LFIRST ! First time flag\n \nC***********************************************************************\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Write out report data\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n MSG = 'Checking MET_BDY_3D_FIN File for consistent ' //\n & 'header data'\n CALL M3MESG ( MSG )\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get header data for MET_BDY_3D_FIN file\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( .NOT. OPEN3 ( MET_BDY_3D_FIN, FSREAD3, PNAME ) ) THEN\n MSG = 'Could not open ' // MET_BDY_3D_FIN // ' file'\n CALL M3EXIT ( PNAME, JDATE , JTIME, MSG, XSTAT1 )\n END IF\n\n IF ( .NOT. DESC3 ( MET_BDY_3D_FIN ) ) THEN\n MSG = 'Could not read DESC of ' // MET_BDY_3D_FIN \n & // ' file'\n CALL M3EXIT ( PNAME, JDATE, JTIME, MSG, XSTAT2 )\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Check MET_BDY_3D_FIN file for consistency with GRIDDESC\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n LERROR = .FALSE.\n \n IF ( FTYPE3D .NE. BNDARY3 ) THEN\n WRITE( LOGUNIT, 94020 ) FTYPE3D, BNDARY3\n LERROR = .TRUE.\n END IF\n\n IF ( GDTYP3D .NE. GDTYP_GD ) THEN\n WRITE( LOGUNIT, 94200 ) GDTYP3D, GDTYP_GD\n LERROR = .TRUE.\n END IF\n\n IF ( NCOLS3D .NE. NCOLS ) THEN\n WRITE( LOGUNIT, 94040 ) NCOLS3D, NCOLS\n LERROR = .TRUE.\n END IF\n\n IF ( NROWS3D .NE. NROWS ) THEN\n WRITE( LOGUNIT, 94060 ) NROWS3D, NROWS\n LERROR = .TRUE.\n END IF\n\n IF ( NLAYS3D .NE. NLAYS ) THEN\n WRITE( LOGUNIT, 94080 ) NLAYS3D, NLAYS\n LERROR = .TRUE.\n END IF\n\n WRITE( VAL1, 94000 ) P_ALP3D\n WRITE( VAL2, 94000 ) P_ALP_GD\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94220 ) P_ALP3D, P_ALP_GD\n LERROR = .TRUE.\n END IF\n\n WRITE( VAL1, 94000 ) P_BET3D\n WRITE( VAL2, 94000 ) P_BET_GD\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94240 ) P_BET3D, P_BET_GD\n LERROR = .TRUE.\n END IF\n\n WRITE( VAL1, 94000 ) P_GAM3D\n WRITE( VAL2, 94000 ) P_GAM_GD\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94260 ) P_GAM3D, P_GAM_GD\n LERROR = .TRUE.\n END IF\n\n WRITE( VAL1, 94000 ) XORIG3D\n WRITE( VAL2, 94000 ) XORIG_GD\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94280 ) XORIG3D, XORIG_GD\n LERROR = .TRUE.\n END IF\n\n WRITE( VAL1, 94000 ) YORIG3D\n WRITE( VAL2, 94000 ) YORIG_GD\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94300 ) YORIG3D, YORIG_GD\n LERROR = .TRUE.\n END IF\n\n WRITE( VAL1, 94000 ) XCELL3D\n WRITE( VAL2, 94000 ) XCELL_GD\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94320 ) XCELL3D, XCELL_GD\n LERROR = .TRUE.\n END IF\n\n WRITE( VAL1, 94000 ) YCELL3D\n WRITE( VAL2, 94000 ) YCELL_GD\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94340 ) YCELL3D, YCELL_GD\n LERROR = .TRUE.\n END IF\n\n WRITE( VAL1, 94000 ) XCENT3D\n WRITE( VAL2, 94000 ) XCENT_GD\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94360 ) XCENT3D, XCENT_GD\n LERROR = .TRUE.\n END IF\n\n WRITE( VAL1, 94000 ) YCENT3D\n WRITE( VAL2, 94000 ) YCENT_GD\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94380 ) YCENT3D, YCENT_GD\n LERROR = .TRUE.\n END IF\n \n WRITE( VAL1, 94000 ) VGTOP3D\n WRITE( VAL2, 94000 ) VGTOP_GD\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94420 ) VGTOP3D, VGTOP_GD\n LERROR = .TRUE.\n END IF\n\n DO L = 1 , NLAYS3D + 1\n WRITE( VAL1, 94000 ) VGLVS3D( L )\n WRITE( VAL2, 94000 ) VGLVS_GD( L )\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94440 ) L, VGLVS3D( L ), L,\n & VGLVS_GD( L ) \n LERROR = .TRUE.\n END IF\n END DO\n \n JDATE = SDATE\n JTIME = STIME\n!\n! LFIRST = .TRUE.\n! DO N = 1, NSTEPS\n! IF ( .NOT. CHECK3( MET_BDY_3D_FIN, 'ALL',\n! & JDATE, JTIME ) ) THEN\n! LERROR = .TRUE.\n! IF ( LFIRST ) THEN\n! MSG = 'The following time steps are not on '\n! & // MET_BDY_3D_FIN\n! WRITE( LOGUNIT, 94480 ) MSG\n! LFIRST = .FALSE.\n! END IF\n! WRITE( LOGUNIT,'( I7, \":\", I6.7 )' ) JDATE, JTIME\n! END IF\n! CALL NEXTIME ( JDATE, JTIME, TSTEP )\n! END DO\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc If inconsistency found, then stop, else return\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( .NOT. LERROR ) THEN\n WRITE( LOGUNIT, 94460 )\n ELSE\n MSG = 'MET_BDY_3D_FIN file inconsistent: stopping' \n CALL M3EXIT ( PNAME, JDATE , JTIME, MSG, XSTAT2 )\n END IF\n \n RETURN\n\nC************************* FORMAT STATEMENTS ***************************\n\n94000 FORMAT( E15.5 )\n94020 FORMAT( 10X, 'MET_BDY_3D_FIN FTYPE = ', I3, ' COORD FTYPE', ' = ', I3 )\n94040 FORMAT( 10X, 'MET_BDY_3D_FIN NCOLS = ', I3, ' COORD NCOLS', ' = ', I3 )\n94060 FORMAT( 10X, 'MET_BDY_3D_FIN NROWS = ', I3, ' COORD NROWS', ' = ', I3 )\n94080 FORMAT( 10X, 'MET_BDY_3D_FIN NLAYS = ', I3, ' COORD NLAYS', ' = ', I3 )\n94200 FORMAT( 10X, 'MET_BDY_3D_FIN GDTYP = ', I3, ' COORD GDTYP', ' = ', I3 )\n94220 FORMAT( 10X, 'MET_BDY_3D_FIN P_ALP = ', 1PE12.5, ' COORD P_ALP', ' = ', 1PE12.5 )\n94240 FORMAT( 10X, 'MET_BDY_3D_FIN P_BET = ', 1PE12.5, ' COORD P_BET', ' = ', 1PE12.5 )\n94260 FORMAT( 10X, 'MET_BDY_3D_FIN P_GAM = ', 1PE12.5, ' COORD P_GAM', ' = ', 1PE12.5 )\n94280 FORMAT( 10X, 'MET_BDY_3D_FIN XORIG = ', 1PE12.5, ' COORD XORIG', ' = ', 1PE12.5 )\n94300 FORMAT( 10X, 'MET_BDY_3D_FIN YORIG = ', 1PE12.5, ' COORD YORIG', ' = ', 1PE12.5 )\n94320 FORMAT( 10X, 'MET_BDY_3D_FIN XCELL = ', 1PE12.5, ' COORD XCELL', ' = ', 1PE12.5 )\n94340 FORMAT( 10X, 'MET_BDY_3D_FIN YCELL = ', 1PE12.5, ' COORD YCELL', ' = ', 1PE12.5 )\n94360 FORMAT( 10X, 'MET_BDY_3D_FIN XCENT = ', 1PE12.5, ' COORD XCENT', ' = ', 1PE12.5 )\n94380 FORMAT( 10X, 'MET_BDY_3D_FIN YCENT = ', 1PE12.5, ' COORD YCENT', ' = ', 1PE12.5 )\n94420 FORMAT( 10X, 'MET_BDY_3D_FIN VGTOP = ', 1PE12.5, ' COORD VGTOP', ' = ', 1PE12.5 )\n94440 FORMAT( 10X, 'MET_BDY_3D_FIN VGLVS(', I2, ' ) = ', 1PE12.5, ' COORD VGLVS',\n & '(', I2, ' ) = ', 1PE12.5 )\n94460 FORMAT( 10X, 'No file header inconsistencies for MET_BDY_3D_FIN' )\n94480 FORMAT( A )\n\n END\n" }, { "path": "PREP/bcon/src/m3conc/m3_ck_ctms.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/BCON/src/m3conc/m3_ck_ctms.F,v 1.2 2011/10/21 16:52:35 yoj Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\n SUBROUTINE CK_CTM_FLS ( LOGUNIT, N_CTM_FLS, CTM_FL_NAME )\n\nC***********************************************************************\n \nC Function: To check multiple input CTM conc files for consistent\nC header data\n \nC Preconditions: None\n \nC Key Subroutines/Functions Called: None\n \nC Revision History: Prototype created by Jerry Gipson, January, 1998\nC Modified by JG May, 1999 to change way reals are\nC checked\nC 13 Jul 11 J.Young: Replaced I/O API include files with M3UTILIO\nC 23 May 12 J.Young: Replaced BC_PARMS include file with an F90 module\nC 10 June 19 F.Sidi: Corrected data byte mistmatch between IOAPI and BCON \n \nC***********************************************************************\n\n USE M3UTILIO ! IOAPI module\n USE BC_PARMS ! BCON parameters\n\n IMPLICIT NONE \n\nC Arguments:\n INTEGER, INTENT( IN ) :: LOGUNIT ! Unit number for output log\n INTEGER, INTENT( IN ) :: N_CTM_FLS ! Number of input CTM files\n CHARACTER( 16 ), INTENT( IN ) :: CTM_FL_NAME( : ) ! Name of CTM file\n\nC Parameters: None\n\nC External Functions: None\n\nC Local Variables:\n CHARACTER( 80 ) :: MSG ! Log message\n CHARACTER( 16 ) :: PNAME = 'CK_CTM_FLS' ! Procedure Name\n CHARACTER( 15 ) :: VAL1 ! Character value of real\n CHARACTER( 15 ) :: VAL2 ! Character value of real\n\n INTEGER L, N ! Loop indices\n INTEGER FTYPE1 ! File 1 file type\n INTEGER NCOLS1 ! File 1 number of columns\n INTEGER NROWS1 ! File 1 number of rows\n INTEGER NLAYS1 ! File 1 number of levels\n INTEGER SDATE1 ! File 1 start date\n INTEGER STIME1 ! File 1 start time\n INTEGER TSTEP1 ! File 1 time step\n INTEGER MXREC1 ! File 1 number of time steps\n INTEGER NTHIK1 ! File 1 boundary thickness\n INTEGER GDTYP1 ! File 1 horizontal grid type\n INTEGER VGTYP1 ! File 1 Vertical coordinate type\n INTEGER ALLOCSTAT ! Status returned from array allocation\n\n LOGICAL LERROR ! Error Flag\n LOGICAL LSTOP ! Exit Flag\n\n REAL*8 :: P_ALP1 ! File 1 map projection parameter \n REAL*8 :: P_BET1 ! File 1 map projection parameter \n REAL*8 :: P_GAM1 ! File 1 map projection parameter\n REAL*8 :: XORIG1 ! File 1 X-origin\n REAL*8 :: YORIG1 ! File 1 Y-origin\n REAL*8 :: XCELL1 ! File 1 X-dimension of cells\n REAL*8 :: YCELL1 ! File 1 Y-dimension of cells\n REAL*8 :: XCENT1 ! File 1 X-center of coordinate system\n REAL*8 :: YCENT1 ! File 1 Y-center of coordinate system\n REAL VGTOP1 ! File 1 model top\n\n REAL, ALLOCATABLE :: VGLVS1( : ) ! File vertical layer heights\n\nC***********************************************************************\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Write out report data\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n MSG = 'Multiple CTM Concentration files being used for ICs' \n CALL M3WARN ( PNAME, 0, 0, MSG )\n MSG = ' Files being checked for consistent header data' \n CALL M3MESG ( MSG )\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get header data for CTM file 1\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( .NOT. DESC3( CTM_FL_NAME( 1 ) ) ) THEN\n MSG = 'Could not read DESC of ' // CTM_FL_NAME( 1 ) \n & // ' file'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n\n FTYPE1 = FTYPE3D\n NCOLS1 = NCOLS3D\n NROWS1 = NROWS3D\n NLAYS1 = NLAYS3D\n SDATE1 = SDATE3D\n STIME1 = STIME3D\n TSTEP1 = TSTEP3D\n MXREC1 = MXREC3D\n NTHIK1 = NTHIK3D\n GDTYP1 = GDTYP3D\n P_ALP1 = P_ALP3D\n P_BET1 = P_BET3D\n P_GAM1 = P_GAM3D\n XORIG1 = XORIG3D\n YORIG1 = YORIG3D\n XCELL1 = XCELL3D\n YCELL1 = YCELL3D\n XCENT1 = XCENT3D\n YCENT1 = YCENT3D\n VGTYP1 = VGTYP3D\n VGTOP1 = VGTOP3D\n\n ALLOCATE( VGLVS1( NLAYS1+1 ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n MSG = 'Failure allocating VGLVS1'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n DO N = 1 , NLAYS1 + 1\n VGLVS1( N ) = VGLVS3D( N )\n END DO\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Compare header data on file 1 with header data on other CTM files\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n LSTOP = .FALSE.\n\n DO N = 2, N_CTM_FLS\n\n WRITE( MSG, '( '' Differences found between files '', A, \n & '' and '', A, '':'' )' ) CTM_FL_NAME( 1 ), \n & CTM_FL_NAME( N )\n\n LERROR = .FALSE.\n\n IF ( .NOT. DESC3 ( CTM_FL_NAME( N ) ) ) THEN\n MSG = 'Could not read DESC of ' // CTM_FL_NAME( N ) \n & // ' file'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n \n IF ( FTYPE1 .NE. FTYPE3D ) THEN\n WRITE( LOGUNIT, 94020 ) FTYPE1, N, FTYPE3D\n LERROR = .TRUE.\n END IF\n\n IF ( NCOLS1 .NE. NCOLS3D ) THEN\n WRITE( LOGUNIT, 94040 ) NCOLS1, N, NCOLS3D\n LERROR = .TRUE.\n END IF\n\n IF ( NROWS1 .NE. NROWS3D ) THEN\n WRITE( LOGUNIT, 94060 ) NROWS1, N, NROWS3D\n LERROR = .TRUE.\n END IF\n\n IF ( NLAYS1 .NE. NLAYS3D ) THEN\n WRITE( LOGUNIT, 94080 ) NLAYS1, N, NLAYS3D\n LERROR = .TRUE.\n END IF\n\n IF ( SDATE1 .NE. SDATE3D ) THEN\n WRITE( LOGUNIT, 94100 ) SDATE1, N, SDATE3D\n LERROR = .TRUE.\n END IF\n\n IF ( STIME1 .NE. STIME3D ) THEN\n WRITE( LOGUNIT, 94120 ) STIME1, N, STIME3D\n LERROR = .TRUE.\n END IF\n\n IF ( TSTEP1 .NE. TSTEP3D ) THEN\n WRITE( LOGUNIT, 94140 ) TSTEP1, N, TSTEP3D\n LERROR = .TRUE.\n END IF\n\n IF ( MXREC1 .NE. MXREC3D ) THEN\n WRITE( LOGUNIT, 94160 ) MXREC1, N, MXREC3D\n LERROR = .TRUE.\n END IF\n\n IF ( NTHIK1 .NE. NTHIK3D ) THEN\n WRITE( LOGUNIT, 94180 ) NTHIK1, N, NTHIK3D\n LERROR = .TRUE.\n END IF\n\n IF ( GDTYP1 .NE. GDTYP3D ) THEN\n WRITE( LOGUNIT, 94200 ) GDTYP1, N, GDTYP3D\n LERROR = .TRUE.\n END IF\n\n WRITE( VAL1, 94000 ) P_ALP1\n WRITE( VAL2, 94000 ) P_ALP3D\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94220 ) P_ALP1, N, P_ALP3D\n LERROR = .TRUE.\n END IF\n\n WRITE( VAL1, 94000 ) P_BET1\n WRITE( VAL2, 94000 ) P_BET3D\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94240 ) P_BET1, N, P_BET3D\n LERROR = .TRUE.\n END IF\n\n WRITE( VAL1, 94000 ) P_GAM1\n WRITE( VAL2, 94000 ) P_GAM3D\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94260 ) P_GAM1, N, P_GAM3D\n LERROR = .TRUE.\n END IF\n\n WRITE( VAL1, 94000 ) XORIG1\n WRITE( VAL2, 94000 ) XORIG3D\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94280 ) XORIG1, N, XORIG3D\n LERROR = .TRUE.\n END IF\n\n WRITE( VAL1, 94000 ) YORIG1\n WRITE( VAL2, 94000 ) YORIG3D\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94300 ) YORIG1, N, YORIG3D\n LERROR = .TRUE.\n END IF\n\n WRITE( VAL1, 94000 ) XCELL1\n WRITE( VAL2, 94000 ) XCELL3D\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94320 ) XCELL1, N, XCELL3D\n LERROR = .TRUE.\n END IF\n\n WRITE( VAL1, 94000 ) YCELL1\n WRITE( VAL2, 94000 ) YCELL3D\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94340 ) YCELL1, N, YCELL3D\n LERROR = .TRUE.\n END IF\n\n WRITE( VAL1, 94000 ) XCENT1\n WRITE( VAL2, 94000 ) XCENT3D\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94360 ) XCENT1, N, XCENT3D\n LERROR = .TRUE.\n END IF\n\n WRITE( VAL1, 94000 ) YCENT1\n WRITE( VAL2, 94000 ) YCENT3D\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94380 ) YCENT1, N, YCENT3D\n LERROR = .TRUE.\n END IF\n\n WRITE( VAL1, 94000 ) VGTOP1\n WRITE( VAL2, 94000 ) VGTOP3D\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94420 ) VGTOP1, N, VGTOP3D\n LERROR = .TRUE.\n END IF\n\n DO L = 1 , NLAYS1 + 1\n WRITE( VAL1, 94000 ) VGLVS1( L )\n WRITE( VAL2, 94000 ) VGLVS3D( L )\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94440 ) L, VGLVS1( L ), N, L,\n & VGLVS3D( L ) \n LERROR = .TRUE.\n END IF\n END DO\n \n IF ( .NOT. LERROR ) THEN\n WRITE( LOGUNIT, 94460 )\n ELSE\n LSTOP = .TRUE.\n END IF\n\n END DO\n\n IF ( LSTOP ) THEN\n MSG = 'CTM File inconsistencies detected: stopping' \n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n \n RETURN\n\nC************************* FORMAT STATEMENTS ***************************\n\n94000 FORMAT( E15.5 )\n94020 FORMAT( 10X, 'FTYPE1 = ', I3, ' FTYPE', I1, ' = ', I3 )\n94040 FORMAT( 10X, 'NCOLS1 = ', I3, ' NCOLS', I1, ' = ', I3 )\n94060 FORMAT( 10X, 'NROWS1 = ', I3, ' NROWS', I1, ' = ', I3 )\n94080 FORMAT( 10X, 'NLAYS1 = ', I3, ' NLAYS', I1, ' = ', I3 )\n94100 FORMAT( 10X, 'SDATE1 = ', I3, ' SDATE', I1, ' = ', I3 )\n94120 FORMAT( 10X, 'STIME1 = ', I3, ' STIME', I1, ' = ', I3 )\n94140 FORMAT( 10X, 'TSTEP1 = ', I3, ' TSTEP', I1, ' = ', I3 )\n94160 FORMAT( 10X, 'MXREC1 = ', I3, ' MXREC', I1, ' = ', I3 )\n94180 FORMAT( 10X, 'NTHIK1 = ', I3, ' NTHIK', I1, ' = ', I3 )\n94200 FORMAT( 10X, 'GDTYP1 = ', I3, ' GDTYP', I1, ' = ', I3 )\n94220 FORMAT( 10X, 'P_ALP1 = ', 1PE12.5, ' P_ALP', I1, ' = ', 1PE12.5 )\n94240 FORMAT( 10X, 'P_BET1 = ', 1PE12.5, ' P_BET', I1, ' = ', 1PE12.5 )\n94260 FORMAT( 10X, 'P_GAM1 = ', 1PE12.5, ' P_GAM', I1, ' = ', 1PE12.5 )\n94280 FORMAT( 10X, 'XORIG1 = ', 1PE12.5, ' XORIG', I1, ' = ', 1PE12.5 )\n94300 FORMAT( 10X, 'YORIG1 = ', 1PE12.5, ' YORIG', I1, ' = ', 1PE12.5 )\n94320 FORMAT( 10X, 'XCELL1 = ', 1PE12.5, ' XCELL', I1, ' = ', 1PE12.5 )\n94340 FORMAT( 10X, 'YCELL1 = ', 1PE12.5, ' YCELL', I1, ' = ', 1PE12.5 )\n94360 FORMAT( 10X, 'XCENT1 = ', 1PE12.5, ' XCENT', I1, ' = ', 1PE12.5 )\n94380 FORMAT( 10X, 'YCENT1 = ', 1PE12.5, ' YCENT', I1, ' = ', 1PE12.5 )\n94420 FORMAT( 10X, 'VGTOP1 = ', 1PE12.5, ' VGTOP', I1, ' = ', 1PE12.5 )\n94440 FORMAT( 10X, 'VGLVS1(', I2, ' ) = ', 1PE12.5, ' VGLVS', I1,\n & '(', I2, ' ) = ', 1PE12.5 )\n94460 FORMAT( 10X, 'NONE' )\n\n END\n" }, { "path": "PREP/bcon/src/m3conc/m3_ck_met.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/BCON/src/m3conc/m3_ck_met.F,v 1.2 2011/10/21 16:52:35 yoj Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\n\n SUBROUTINE CK_MET_FL ( LOGUNIT, SDATE, STIME, TSTEP, NSTEPS, CTM_FL_NAME )\n\nC***********************************************************************\n \nC Function: To check input MET_CRO_3D_CRS file for consistency with\nC the CTM_CONC file\n \nC Preconditions: None\n \nC Key Subroutines/Functions Called: None\n \nC Revision History: Prototype created by Jerry Gipson, May, 1999\nC 08 Jun 11 J.Young: Replaced I/O API include files with M3UTILIO\nC 23 May 12 J.Young: Replaced BC_PARMS include file with an F90 module\nC 10 June 19 F. Sidi: Corrected data byte mismatch between IOAPI and BCON\nC & commented out unused variables (LFIRST & N)\n\nC***********************************************************************\n USE M3UTILIO ! IOAPI module\n USE BC_PARMS ! BCON parameters\n\n IMPLICIT NONE \n\nC Arguments:\n INTEGER, INTENT( IN ) :: LOGUNIT ! Unit number for output log\n INTEGER, INTENT( IN ) :: SDATE ! Start date\n INTEGER, INTENT( IN ) :: STIME ! Start time\n INTEGER, INTENT( IN ) :: TSTEP ! Time step\n INTEGER, INTENT( IN ) :: NSTEPS ! No. of time steps\n CHARACTER( 16 ), INTENT( IN ) :: CTM_FL_NAME( : ) ! Names of CTM files\n\nC Parameters: None\n\nC External Functions: None\n\nC Local Variables:\n CHARACTER( 80 ) :: MSG = ' ' ! Log message\n CHARACTER( 16 ) :: PNAME = 'CK_MET_FL' ! Procedure Name\n CHARACTER( 15 ) :: VAL1 ! Character value of real\n CHARACTER( 15 ) :: VAL2 ! Character value of real\n\n INTEGER JDATE ! Current date\n INTEGER JTIME ! Current time\n! INTEGER N\n INTEGER L ! Loop indices\n INTEGER FTYPE1 ! File 1 file type\n INTEGER NCOLS1 ! File 1 number of columns\n INTEGER NROWS1 ! File 1 number of rows\n INTEGER NLAYS1 ! File 1 number of levels\n INTEGER NTHIK1 ! File 1 boundary thickness\n INTEGER GDTYP1 ! File 1 horizontal grid type\n INTEGER VGTYP1 ! File 1 Vertical coordinate type\n INTEGER ALLOCSTAT ! Status returned from array allocation\n\n LOGICAL LERROR ! Error Flag\n! LOGICAL LFIRST ! First time flag\n \n REAL*8 :: P_ALP1 ! File 1 map projection parameter \n REAL*8 :: P_BET1 ! File 1 map projection parameter \n REAL*8 :: P_GAM1 ! File 1 map projection parameter\n REAL*8 :: XORIG1 ! File 1 X-origin\n REAL*8 :: YORIG1 ! File 1 Y-origin\n REAL*8 :: XCELL1 ! File 1 X-dimension of cells\n REAL*8 :: YCELL1 ! File 1 Y-dimension of cells\n REAL*8 :: XCENT1 ! File 1 X-center of coordinate system\n REAL*8 :: YCENT1 ! File 1 Y-center of coordinate system\n REAL VGTOP1 ! File 1 model top\n\n REAL, ALLOCATABLE :: VGLVS1( : ) ! File vertical layer heights\n\nC***********************************************************************\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Write out report data\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n MSG = 'Checking MET_CRO_3D_CRS File checked for consistent ' //\n & 'header data' \n CALL M3MESG ( MSG )\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get header data for CTM file 1 and create a list of species in the\nc CTM files\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( .NOT. DESC3 ( CTM_FL_NAME( 1 ) ) ) THEN\n MSG = 'Could not read DESC of ' // CTM_FL_NAME( 1 ) \n & // ' file'\n CALL M3ERR ( PNAME, 0, 0, MSG, .TRUE. )\n END IF\n\n FTYPE1 = FTYPE3D\n NCOLS1 = NCOLS3D\n NROWS1 = NROWS3D\n NLAYS1 = NLAYS3D\n NTHIK1 = NTHIK3D\n GDTYP1 = GDTYP3D\n P_ALP1 = P_ALP3D\n P_BET1 = P_BET3D\n P_GAM1 = P_GAM3D\n XORIG1 = XORIG3D\n YORIG1 = YORIG3D\n XCELL1 = XCELL3D\n YCELL1 = YCELL3D\n XCENT1 = XCENT3D\n YCENT1 = YCENT3D\n VGTYP1 = VGTYP3D\n VGTOP1 = VGTOP3D\n\n ALLOCATE( VGLVS1( NLAYS1+1 ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n MSG = 'Failure allocating VGLVS1'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n DO L = 1 , NLAYS1 + 1\n VGLVS1( L ) = VGLVS3D( L )\n END DO\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Open the MET_CRO_3D_CRS file\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( .NOT. OPEN3( MET_CRO_3D_CRS, FSREAD3, PNAME ) ) THEN\n MSG = 'Could not open ' // MET_CRO_3D_CRS // ' file'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n IF ( .NOT. DESC3( MET_CRO_3D_CRS ) ) THEN\n MSG = 'Could not read DESC of ' // MET_CRO_3D_CRS \n & // ' file'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Check MET_CRO_3D_CRS file\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n WRITE( MSG, '( '' Differences found between files '', A, \n & '' and '', A, '':'' )' ) CTM_FL_NAME( 1 ), \n & MET_CRO_3D_CRS\n\n CALL M3MESG ( MSG )\n\n LERROR = .FALSE.\n \n IF ( FTYPE1 .NE. FTYPE3D ) THEN\n WRITE( LOGUNIT, 94020 ) FTYPE1, FTYPE3D\n LERROR = .TRUE.\n END IF\n\n IF ( GDTYP1 .NE. GDTYP3D ) THEN\n WRITE( LOGUNIT, 94200 ) GDTYP1, GDTYP3D\n LERROR = .TRUE.\n END IF\n\n WRITE( VAL1, 94000 ) P_ALP1\n WRITE( VAL2, 94000 ) P_ALP3D\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94220 ) P_ALP1, P_ALP3D\n LERROR = .TRUE.\n END IF\n\n WRITE( VAL1, 94000 ) P_BET1\n WRITE( VAL2, 94000 ) P_BET3D\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94240 ) P_BET1, P_BET3D\n LERROR = .TRUE.\n END IF\n\n WRITE( VAL1, 94000 ) P_GAM1\n WRITE( VAL2, 94000 ) P_GAM3D\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94260 ) P_GAM1, P_GAM3D\n LERROR = .TRUE.\n END IF\n\n WRITE( VAL1, 94000 ) XORIG1\n WRITE( VAL2, 94000 ) XORIG3D\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94280 ) XORIG1, XORIG3D\n LERROR = .TRUE.\n END IF\n\n WRITE( VAL1, 94000 ) YORIG1\n WRITE( VAL2, 94000 ) YORIG3D\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94300 ) YORIG1, YORIG3D\n LERROR = .TRUE.\n END IF\n\n WRITE( VAL1, 94000 ) XCELL1\n WRITE( VAL2, 94000 ) XCELL3D\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94320 ) XCELL1, XCELL3D\n LERROR = .TRUE.\n END IF\n\n WRITE( VAL1, 94000 ) YCELL1\n WRITE( VAL2, 94000 ) YCELL3D\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94340 ) YCELL1, YCELL3D\n LERROR = .TRUE.\n END IF\n\n WRITE( VAL1, 94000 ) XCENT1\n WRITE( VAL2, 94000 ) XCENT3D\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94360 ) XCENT1, XCENT3D\n LERROR = .TRUE.\n END IF\n\n WRITE( VAL1, 94000 ) YCENT1\n WRITE( VAL2, 94000 ) YCENT3D\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94380 ) YCENT1, YCENT3D\n LERROR = .TRUE.\n END IF\n\n WRITE( VAL1, 94000 ) VGTOP1\n WRITE( VAL2, 94000 ) VGTOP3D\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94420 ) VGTOP1, VGTOP3D\n LERROR = .TRUE.\n END IF\n\n DO L = 1 , NLAYS1 + 1\n WRITE( VAL1, 94000 ) VGLVS1( L )\n WRITE( VAL2, 94000 ) VGLVS3D( L )\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94440 ) L, VGLVS1( L ), L,\n & VGLVS3D( L ) \n LERROR = .TRUE.\n END IF\n END DO\n \n JDATE = SDATE\n JTIME = STIME\n\n! LFIRST = .TRUE.\n! DO N = 1, NSTEPS\n! IF ( .NOT. CHECK3( MET_CRO_3D_CRS, 'ALL', \n! & JDATE, JTIME ) ) THEN\n! LERROR = .TRUE.\n! IF ( LFIRST ) THEN\n! MSG = 'The following time steps are not on ' //\n! & MET_CRO_3D_CRS\n! WRITE( LOGUNIT, '( A )' ) MSG\n! LFIRST = .FALSE.\n! END IF\n! WRITE( LOGUNIT, '( I7, 1X, I6 )' ) JDATE, JTIME\n! END IF\n! CALL NEXTIME ( JDATE, JTIME, TSTEP )\n! END DO\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc If inconsistency found, then stop, else return\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( .NOT. LERROR ) THEN\n WRITE( LOGUNIT, 94460 )\n ELSE\n MSG = 'MET_CRO_3D_CRS file inconsistent: stopping' \n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n RETURN\n\nC************************* FORMAT STATEMENTS ***************************\n\n94000 FORMAT( E15.5 )\n\n94020 FORMAT(10X, 'CTM_CONC_1 FTYPE = ', I3, 3X,\n & 'MET_CRO_3D_CRS FTYPE = ', I3 )\n\n94200 FORMAT(10X, 'CTM_CONC_1 GDTYP = ', I3, 3X,\n & 'MET_CRO_3D_CRS GDTYP = ', I3 )\n\n94220 FORMAT(10X, 'CTM_CONC_1 P_ALP = ', 1PE12.5, 3X,\n & 'MET_CRO_3D_CRS P_ALP = ', 1PE12.5 )\n\n94240 FORMAT(10X, 'CTM_CONC_1 P_BET = ', 1PE12.5, 3X,\n & 'MET_CRO_3D_CRS P_BET = ', 1PE12.5 )\n\n94260 FORMAT(10X, 'CTM_CONC_1 P_GAM = ', 1PE12.5, 3X,\n & 'MET_CRO_3D_CRS P_GAM = ', 1PE12.5 )\n\n94280 FORMAT(10X, 'CTM_CONC_1 XORIG = ', 1PE12.5, 3X,\n & 'MET_CRO_3D_CRS XORIG = ', 1PE12.5 )\n\n94300 FORMAT(10X, 'CTM_CONC_1 YORIG = ', 1PE12.5, 3X,\n & 'MET_CRO_3D_CRS YORIG = ', 1PE12.5 )\n\n94320 FORMAT(10X, 'CTM_CONC_1 XCELL = ', 1PE12.5, 3X,\n & 'MET_CRO_3D_CRS XCELL = ', 1PE12.5 )\n\n94340 FORMAT(10X, 'CTM_CONC_1 YCELL = ', 1PE12.5, 3X,\n & 'MET_CRO_3D_CRS YCELL = ', 1PE12.5 )\n\n94360 FORMAT(10X, 'CTM_CONC_1 XCENT = ', 1PE12.5, 3X,\n & 'MET_CRO_3D_CRS XCENT = ', 1PE12.5 )\n\n94380 FORMAT(10X, 'CTM_CONC_1 YCENT = ', 1PE12.5, 3X,\n & 'MET_CRO_3D_CRS YCENT = ', 1PE12.5 )\n\n94420 FORMAT(10X, 'CTM_CONC_1 VGTOP = ', 1PE12.5, 3X,\n & 'MET_CRO_3D_CRS VGTOP = ', 1PE12.5 )\n\n94440 FORMAT(10X, 'CTM_CONC_1 VGLVS(', I2, ' ) = ', 1PE12.5,\n & 'MET_CRO_3D_CRS VGLVS(', I2, ' ) = ', 1PE12.5 )\n\n94460 FORMAT(10X, 'NONE' )\n\n END\n" }, { "path": "PREP/bcon/src/m3conc/m3_driver.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/BCON/src/m3conc/m3_driver.F,v 1.2 2011/10/21 16:52:35 yoj Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\n\n SUBROUTINE M3_INBNDY ( LOGUNIT )\n\nC***********************************************************************\n \nC Function: Opens the Models-3 CTM conc file(s) and checks for \nC data consistency, and calls the routine to \nC compute the BCs and write the output BC file \n \nC Preconditions: None\n \nC Key Subroutines/Functions Called: CK_CTM_FLS\nC M3_BCOUT \n \nC Revision History:\nC Prototype created by Jerry Gipson, January, 1998 \nC Modified 4/22/99 by JG to provide default treatment for missing RUNLEN\nC Modified by JG May, 1999 to treat PinG concs\nC 02/25/02 Steve Howard (Jeff Young) - dynamic allocation\nC 01/05/05 J.Young: vert dyn alloc - Use VGRD_DEFN\nC 13 Jul 11 J.Young: Replaced I/O API include files with M3UTILIO and\nC Namelist for species definitions\nC 23 May 12 J.Young: Replaced BC_PARMS include file with an F90 module\nC 14 Sep 18 S.Roselle: Removed species mapping\nC 10 June 19 F.Sidi : Corrected data type mismatch between IOAPI and BCON\nC 20 April 21 C. Hogrefe: Force height or pressure interpolation if either \nC grid uses hybrid vertical coordinates. This\nC requires checking for MET_CRO_3D and MET_BDY_3 \n \nC***********************************************************************\n\n USE HGRD_DEFN ! Module to store and load the horizontal grid variables\n USE VGRD_DEFN ! vertical layer specifications\n USE M3UTILIO ! IOAPI module\n USE BC_PARMS ! BCON parameters\n\n IMPLICIT NONE \n\nC Arguments:\n INTEGER, INTENT( IN ) :: LOGUNIT ! Unit number for output log\n\nC Parameters: None\n\nC External Functions: None\n\nC Local Variables:\n CHARACTER( 16 ) :: ENV_DFLT ! Environment variable default value\n CHARACTER( 80 ) :: ENV_DESC ! Environment variable description\n CHARACTER( 16 ) :: FL_NAME ! Input CTM file name\n CHARACTER( 80 ) :: MSG ! Log message\n CHARACTER( 16 ) :: PNAME = 'M3_INBNDY' ! Procedure name\n CHARACTER( 256 ) :: RET_VAL ! Returned value of environment variable\n\n CHARACTER( 16 ), ALLOCATABLE :: CTM_FL_NAME( : ) ! Names of CTM files\n CHARACTER( 16 ), ALLOCATABLE :: INFL_SP_NAME( : ) ! Names of CTM species\n CHARACTER( 16 ), ALLOCATABLE :: UNITS_IN( : ) ! Units for CTM species\n CHARACTER( 80 ), ALLOCATABLE :: VDESC_IN( : ) ! Variable description for CTM species\n\n INTEGER, ALLOCATABLE :: VTYPE_IN( : ) ! variable type for CTM species\n\n INTEGER :: RUNLEN = 0 ! Time duration for BC output (HHMMSS)\n INTEGER :: SDATE = 0 ! Date for BC output (YYYYJJJ)\n INTEGER :: STIME = 0 ! Time for BC output (HHMMSS)\n INTEGER :: JDATE ! Current date\n INTEGER :: JTIME ! Current time\n INTEGER :: N ! File loop index\n INTEGER :: N_CTM_FLS ! Number of input CTM files\n INTEGER :: NCOLS_IN ! No. of columns in input conc file\n INTEGER :: NLAYS_IN ! No. of layers in input conc file\n INTEGER :: NROWS_IN ! No. of rows in input conc file\n INTEGER :: NSPCS_IN ! CTM files species counter\n INTEGER :: VGTYP_IN ! input conc file VGTYP\n INTEGER :: SDATE_IN ! input conc file start date\n INTEGER :: STIME_IN ! input conc file start time\n INTEGER :: EDATE_IN ! input conc file end date\n INTEGER :: ETIME_IN ! input conc file end time\n INTEGER :: TSTEP_IN ! input conc file timestep\n INTEGER :: NSTEPS_IN ! Number time steps in input conc file\n INTEGER :: SECS ! time variable (sec)\n INTEGER :: SECS_STRT ! time variable (sec)\n INTEGER :: SECS_END ! time variable (sec)\n INTEGER :: NSTINC ! No. of steps on file before start of output\n INTEGER :: STATUS ! Status code\n INTEGER :: ALLOCSTAT ! Status returned from array allocation\n INTEGER :: STRTINC ! No. of sec. on file before start of output\n INTEGER :: STEPSECS ! Seconds per time step\n INTEGER :: TOTSECS ! Time duration for BC file (seconds)\n INTEGER :: NSTEPS ! Number time steps in BC output file\n INTEGER :: TSTEP ! Time step BC output file (HHMMSS)\n INTEGER :: V ! Variable loop index\n\n REAL :: VGTOP_IN ! input conc file VGTOP\n\n INTERFACE\n\n SUBROUTINE CK_CTM_FLS ( LOGUNIT, N_CTM_FLS, CTM_FL_NAME )\n INTEGER, INTENT( IN ) :: LOGUNIT\n INTEGER, INTENT( IN ) :: N_CTM_FLS\n CHARACTER( 16 ), INTENT( IN ) :: CTM_FL_NAME( : )\n END SUBROUTINE CK_CTM_FLS\n\n SUBROUTINE CK_MET_FL ( LOGUNIT, SDATE, STIME, TSTEP, NSTEPS, CTM_FL_NAME )\n INTEGER, INTENT( IN ) :: LOGUNIT\n INTEGER, INTENT( IN ) :: SDATE\n INTEGER, INTENT( IN ) :: STIME\n INTEGER, INTENT( IN ) :: TSTEP\n INTEGER, INTENT( IN ) :: NSTEPS\n CHARACTER( 16 ), INTENT( IN ) :: CTM_FL_NAME( : )\n END SUBROUTINE CK_MET_FL\n\n SUBROUTINE CK_BDY_FL ( LOGUNIT, SDATE, STIME, TSTEP, NSTEPS )\n INTEGER, INTENT( IN ) :: LOGUNIT\n INTEGER, INTENT( IN ) :: SDATE\n INTEGER, INTENT( IN ) :: STIME\n INTEGER, INTENT( IN ) :: TSTEP\n INTEGER, INTENT( IN ) :: NSTEPS\n END SUBROUTINE CK_BDY_FL\n\n SUBROUTINE M3_BCOUT ( LOGUNIT,\n & N_CTM_FLS,\n & SDATE, STIME, NSTEPS,\n & NCOLS_IN, NROWS_IN, NLAYS_IN, NSPCS_IN,\n & CTM_FL_NAME, INFL_SP_NAME,\n & VTYPE_IN, UNITS_IN, VDESC_IN )\n INTEGER, INTENT( IN ) :: LOGUNIT\n INTEGER, INTENT( IN ) :: N_CTM_FLS\n INTEGER, INTENT( IN ) :: SDATE\n INTEGER, INTENT( IN ) :: STIME\n INTEGER, INTENT( IN ) :: NSTEPS\n INTEGER, INTENT( IN ) :: NCOLS_IN\n INTEGER, INTENT( IN ) :: NLAYS_IN\n INTEGER, INTENT( IN ) :: NROWS_IN\n INTEGER, INTENT( IN ) :: NSPCS_IN\n CHARACTER( 16 ), INTENT( IN ) :: CTM_FL_NAME( : )\n CHARACTER( 16 ), INTENT( IN ) :: INFL_SP_NAME( : )\n CHARACTER( 16 ), INTENT( IN ) :: UNITS_IN( : )\n CHARACTER( 80 ), INTENT( IN ) :: VDESC_IN( : )\n INTEGER, INTENT( IN ) :: VTYPE_IN( : )\n END SUBROUTINE M3_BCOUT\n\n END INTERFACE\n\nC***********************************************************************\n\n WRITE( LOGUNIT, 92000 )\n\n SDATE = ENVINT( 'SDATE', 'START DATE', 0, STATUS )\n IF ( STATUS .NE. 0 ) SDATE = 0\n\n STIME = ENVINT( 'STIME', 'START TIME', 0, STATUS )\n IF ( STATUS .NE. 0 ) STIME = 0\n\n RUNLEN = ENVINT( 'RUNLEN', 'RUN LENGTH', 0, STATUS )\n IF ( STATUS .NE. 0 ) RUNLEN = 0\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Determine the number of input CTM conc files that need to be read\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n ALLOCATE( CTM_FL_NAME( MXCTMS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n MSG = 'Failure allocating CTM_FL_NAME'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n N_CTM_FLS = 0\n\n WRITE( LOGUNIT, 92020 )\n\n DO N = 1, MXCTMS\n\n WRITE( FL_NAME, '( ''CTM_CONC_'', I1 )' ) N\n WRITE( ENV_DESC, '( ''CTM Concentration file no. '', I1 )' ) N \n ENV_DFLT = ' ' \n CALL ENVSTR ( FL_NAME, ENV_DESC, ENV_DFLT, RET_VAL, STATUS)\n\n IF ( STATUS .EQ. 0 ) THEN\n N_CTM_FLS = N_CTM_FLS + 1\n CTM_FL_NAME( N_CTM_FLS ) = FL_NAME\n END IF\n \n END DO\n\n IF ( N_CTM_FLS .EQ. 0 ) THEN\n MSG = 'No CTM CONC files found'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Open the input Models-3 CTM concentration file(s) and put the species \nc names on each file in one contiguous array\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n ALLOCATE( INFL_SP_NAME( N_CTM_FLS*MXVARS3 ),\n & UNITS_IN( N_CTM_FLS*MXVARS3 ),\n & VDESC_IN( N_CTM_FLS*MXVARS3 ),\n & VTYPE_IN( N_CTM_FLS*MXVARS3 ),\n & STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n MSG = 'Failure allocating UNITS_IN, VDESC_IN, VTYPE_IN'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n NSPCS_IN = 0\n\n DO N = 1, N_CTM_FLS\n\n IF ( .NOT. OPEN3( CTM_FL_NAME( N ), FSREAD3, PNAME ) ) THEN\n MSG = 'Could not open ' // CTM_FL_NAME( N ) // ' file'\n CALL M3EXIT ( PNAME, SDATE, STIME, MSG, XSTAT2 )\n END IF\n\n IF ( .NOT. DESC3( CTM_FL_NAME( N ) ) ) THEN\n MSG = 'Could not read DESC of ' // CTM_FL_NAME( N ) \n & // ' file'\n CALL M3EXIT ( PNAME, SDATE, STIME, MSG, XSTAT2 )\n END IF\n\n NCOLS_IN = NCOLS3D\n NROWS_IN = NROWS3D\n NLAYS_IN = NLAYS3D\n VGTYP_IN = VGTYP3D\n VGTOP_IN = VGTOP3D\n SDATE_IN = SDATE3D\n STIME_IN = STIME3D\n TSTEP_IN = TSTEP3D\n NSTEPS_IN = MXREC3D\n\n DO V = 1, NVARS3D\n NSPCS_IN = NSPCS_IN + 1\n INFL_SP_NAME( NSPCS_IN ) = VNAME3D( V )\n VTYPE_IN( NSPCS_IN ) = VTYPE3D( V )\n UNITS_IN( NSPCS_IN ) = UNITS3D( V )\n VDESC_IN( NSPCS_IN ) = VDESC3D( V )\n END DO\n\n END DO\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Check multiple input CTM files for consistency\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( N_CTM_FLS .GT. 1 ) CALL CK_CTM_FLS( LOGUNIT, N_CTM_FLS, CTM_FL_NAME )\n\n TSTEP = TSTEP_IN\n NSTEPS = NSTEPS_IN\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Check MET_CRO_3D and MET_BDY_3 if necessary\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( VGTYP_GD .NE. VGTYP_IN .OR. VGTOP_GD .NE. VGTOP_IN .OR. \n & VGTYP_GD .EQ. -9999 .OR. VGTYP_IN .EQ. -9999) THEN \n CALL CK_MET_FL ( LOGUNIT, SDATE, STIME, TSTEP, NSTEPS, CTM_FL_NAME )\n CALL CK_BDY_FL ( LOGUNIT, SDATE, STIME, TSTEP, NSTEPS )\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Reset start and runlen times if necessary\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n EDATE_IN = SDATE_IN\n ETIME_IN = STIME_IN\n CALL NEXTIME ( EDATE_IN, ETIME_IN,\n & SEC2TIME( ( NSTEPS_IN - 1 ) * TIME2SEC( TSTEP_IN ) ) )\n\nC for time-dependent concentration file\n IF ( TSTEP_IN .GT. 0 ) THEN\n\nC inherit timestep from MET_BDY_3D_FIN\n IF ( .NOT. DESC3( MET_BDY_3D_FIN ) ) THEN\n MSG = 'Could not read DESC of ' // MET_BDY_3D_FIN // ' file'\n CALL M3EXIT ( PNAME, SDATE, STIME, MSG, XSTAT2 )\n END IF\n TSTEP = TSTEP3D\n\nC if user did not specify SDATE, then inherit the SDATE from MET_BDY_3D_FIN\n IF ( SDATE .EQ. 0 ) THEN\n MSG = 'Input SDATE equals zero; SDATE ' //\n & 'reset to MET_BDY_3D_FIN file start date'\n CALL M3MESG ( MSG )\n SDATE = SDATE3D\n END IF\n\nC if user did not specify STIME, then inherit the STIME from MET_BDY_3D_FIN\n IF ( STIME .EQ. 0 ) THEN\n MSG = 'Input STIME equals zero; STIME ' //\n & 'reset to MET_BDY_3D_FIN file start time'\n CALL M3MESG ( MSG )\n STIME = STIME3D\n END IF\n\n SECS_STRT = SECSDIFF( SDATE_IN, STIME_IN, SDATE, STIME )\n SECS_END = SECSDIFF( EDATE_IN, ETIME_IN, SDATE, STIME )\n IF ( ( SECS_STRT .LT. 0 ) .OR. ( SECS_END .GT. 0 ) ) THEN\n MSG = 'Requested starting time is not in the ' //\n & CTM_FL_NAME( 1 ) // ' file'\n CALL M3EXIT ( PNAME, SDATE, STIME, MSG, XSTAT2 )\n END IF\n \nc Find number of steps on file from starting point\n STEPSECS = TIME2SEC( TSTEP )\n STRTINC = SECSDIFF( SDATE3D, STIME3D, SDATE, STIME )\n NSTINC = STRTINC / STEPSECS\n\nc Check and reset RUNLEN if necessary\n IF ( RUNLEN .NE. 0 ) THEN\n\n IF ( RUNLEN .LT. 1000000 ) THEN\n TOTSECS = TIME2SEC( RUNLEN )\n ELSE ! HH > 99\n RUNLEN = RUNLEN - 1000000\n TOTSECS = TIME2SEC( RUNLEN )\n TOTSECS = TOTSECS + 360000\n END IF\n\n IF ( MOD( TOTSECS, STEPSECS ) .EQ. 0 ) THEN\n NSTEPS = TOTSECS / STEPSECS + 1\n ELSE\n MSG = 'Output time step ' // HHMMSS( TSTEP3D ) //\n & ' does not divide duration ' // HHMMSS( RUNLEN )\n CALL M3EXIT ( PNAME, SDATE, STIME, MSG, XSTAT2 )\n END IF\n\n IF ( NSTEPS .GT. MXREC3D - NSTINC ) THEN\n MSG = 'Input RUNLEN exceeds time steps on input file. '\n WRITE( LOGUNIT, '( /5X, A )' ) MSG\n MSG = 'Resetting RUNLEN to correspond to CTM file ending ' //\n & 'date & time.'\n WRITE( LOGUNIT, '( 5X, A )' ) MSG\n NSTEPS = MXREC3D - NSTINC\n RUNLEN = SEC2TIME( ( NSTEPS - 1 ) * STEPSECS )\n END IF\n\n ELSE\n\n MSG = 'Input RUNLEN not set or equal to zero. '\n WRITE( LOGUNIT, '( /5X, A )' ) MSG\n MSG = 'Resetting RUNLEN to correspond to MET_BDY_3D_FIN file ' //\n & 'ending date & time.'\n WRITE( LOGUNIT, '( 5X, A )' ) MSG\n NSTEPS = MXREC3D - NSTINC\n\n END IF\n\nc Check to make sure end date is on CTM file\n JDATE = SDATE\n JTIME = STIME\n CALL NEXTIME ( JDATE, JTIME, RUNLEN )\n\n SECS = SECSDIFF( JDATE, JTIME, EDATE_IN, ETIME_IN )\n IF ( SECS .LT. 0 ) THEN\n MSG = 'Requested ending time is not in the ' //\n & CTM_FL_NAME( 1 ) // ' file'\n CALL M3EXIT ( PNAME, JDATE, JTIME, MSG, XSTAT2 )\n END IF\n\n ELSE\n\n MSG = 'Input CTM file is time independent. ' //\n & 'Output BCON file will be time independent.'\n CALL M3MESG ( MSG )\n SDATE = 0\n STIME = 0\n TSTEP = 0\n NSTEPS = 1\n\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc compute and outputs BCs from the input CTM conc file(s)\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n CALL M3_BCOUT ( LOGUNIT,\n & N_CTM_FLS,\n & SDATE, STIME, NSTEPS,\n & NCOLS_IN, NROWS_IN, NLAYS_IN,\n & NSPCS_IN, CTM_FL_NAME,\n & INFL_SP_NAME, VTYPE_IN, UNITS_IN, VDESC_IN )\n\n RETURN\n\nC************************* FORMAT Statements ***************************\n\n92000 FORMAT( // 1X, 79( '#' ) \n & / 1X, '# Input section '\n & / 1X, 79( '#' )\n & // 5X, 'Boundary Concentrations from a CMAQ CTM ',\n & 'concentration file.' )\n\n92020 FORMAT( // 5X, 'Input Models3 CTM file names: ' )\n\n END\n" }, { "path": "PREP/bcon/src/m3conc/m3_vinterp.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/BCON/src/m3conc/m3_vinterp.F,v 1.2 2011/10/21 16:52:35 yoj Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\n\n SUBROUTINE M3_VINTERP ( LOGUNIT, JDATE, JTIME,\n & NCOLS_IN, NROWS_IN, NLAYS_IN, NSPCS_IN,\n & COL_LOC, ROW_LOC,\n & BCIN, BCVI, CTM_FL_NAME )\n\nC*************************************************************************\n \nC Function: Interpolates/Extrapolates concentrations in vertical.\nC The number of layers in CONCIN is collapsed or expanded\nC according to the number of layers in COORD.EXT.\nC Interpolation is done using rational function interpolation\nC ( Numerical Recipes, Press et al.) or linear \nC interpolation. When extapolation is required, the \nC concentration of the outside layer is used. If the input \nC file has only one layer, the concentrtaions in that layer\nC are used for all output layers.\n \nC Preconditions: None\n \nC Key Subroutines/Functions Called: LR_INTERP \n \nC Revision History:\nC Prototype created by Jerry Gipson, January, 1998\nC Modified by JG 4/26/99 to change variables SDATE and STIME to JDATE and\nC JTIME for consistency\nC Modified by JG 5/26/99 to treat PinG plumes \nC 02/25/02 Steve Howard (Jeff Young) - dynamic allocation\nC 01/05/05 J.Young: vert dyn alloc - Use VGRD_DEFN\nC eliminate malloc calls\nC 13 Jul 11 J.Young: Replaced I/O API include files with M3UTILIO\nC 23 May 12 J.Young: Replaced BC_PARMS include file with an F90 module\nC 10 June 19 F. Sidi: Commented out INTEGER STATUS unused variable\nC 20 April 21 C. Hogrefe: Force height or pressure interpolation if either \nC grid uses hybrid vertical coordinates \n \nC*************************************************************************\n\n USE HGRD_DEFN ! Module to store and load the horizontal grid variables\n USE VGRD_DEFN ! vertical layer specifications\n USE M3UTILIO ! IOAPI module\n USE BC_PARMS ! BCON parameters\n\n IMPLICIT NONE \n\nC Arguments:\n INTEGER, INTENT( IN ) :: LOGUNIT ! Unit number for output log\n INTEGER, INTENT( IN ) :: JDATE ! Date for IC Output\n INTEGER, INTENT( IN ) :: JTIME ! Time for IC output\n INTEGER, INTENT( IN ) :: NCOLS_IN ! No. of columns in input conc file\n INTEGER, INTENT( IN ) :: NROWS_IN ! No. of rows in input conc file\n INTEGER, INTENT( IN ) :: NLAYS_IN ! No. of layers in input conc file\n INTEGER, INTENT( IN ) :: NSPCS_IN ! No. of species in input conc file\n INTEGER, INTENT( IN ) :: COL_LOC( : ) ! Output IC col corresponding to\n ! a cell in the input CTM file\n INTEGER, INTENT( IN ) :: ROW_LOC( : ) ! Output IC row corresponding to\n ! a cell in the input CTM file\n REAL, INTENT( IN ) :: BCIN( :,:,: ) ! Input conc array\n REAL, INTENT( OUT ) :: BCVI( :,:,: ) ! Output IC array\n CHARACTER( 16 ), INTENT( IN ) :: CTM_FL_NAME( : ) ! CTM_CONC file name(s)\n\nC Parameters: None\n\nC External Functions: None\n\nC Local Variables:\n LOGICAL, SAVE :: LFIRST = .TRUE. ! Flag for first call\n LOGICAL, SAVE :: LDEC ! Flag for monotonic decreasing layer levels\n LOGICAL, SAVE :: LINC ! Flag for monotonic increasing layer levels\n LOGICAL, SAVE :: L_IDENTICAL ! Flag for identical vert coord systems \n LOGICAL, SAVE :: L_RATINT ! Flag to use rational function interpolation\n LOGICAL, SAVE :: L_SAME_SCALE ! Flag for same vert coord systems but\n ! different resolutions \n CHARACTER( 20 ) :: CHR1 ! Value of variable 1 in character data\n CHARACTER( 20 ) :: CHR2 ! Value of variable 1 in character data\n CHARACTER( 80 ) :: MSG ! Log message\n CHARACTER( 16 ) :: PNAME = 'M3_VINTERP' ! Procedure Name\n CHARACTER( 16 ), SAVE :: ZP_VNAME ! ZH or PRES Variable Name\n\n INTEGER C ! Loop indices for columns\n INTEGER L ! Loop index for vertical layers\n INTEGER MXLEV ! Largest no. of levels\n INTEGER N ! Loop index for boundary cells\n INTEGER R ! Loop indices for rows\n! INTEGER STATUS ! Status code\n INTEGER V ! Loop index for variables\n INTEGER ALLOCSTAT ! Status returned from array allocation\n\n REAL DELY ! Error estimate for conc interpolated by rational func\n REAL X3 ! Vertical coordinate used in interpolation\n REAL Y ! Interpolated concentration\n\n REAL, ALLOCATABLE, SAVE :: WORKA( : ) ! Work array for conc input\n REAL, ALLOCATABLE, SAVE :: X3_OLD( : ) ! Old Vertical coordinate values\n REAL, ALLOCATABLE, SAVE :: HT_BNDY( :,: ) ! New mid-layer heights\n REAL, ALLOCATABLE, SAVE :: HT_CTM( :,:,: ) ! Old mid-layer heights\n \n INTERFACE\n\n SUBROUTINE LR_INTERP ( L_RATINT, XA, YA, N, X, Y, DELY )\n LOGICAL, INTENT( IN ) :: L_RATINT\n REAL, INTENT( IN ) :: XA( : )\n REAL, INTENT( IN ) :: YA( : )\n REAL, INTENT( IN ) :: X\n REAL, INTENT( OUT ) :: Y\n REAL, INTENT( OUT ) :: DELY\n INTEGER, INTENT( IN ) :: N\n END SUBROUTINE LR_INTERP\n\n END INTERFACE\n\nC***********************************************************************\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc On first call, write log info and set flags\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( LFIRST ) THEN\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc allocate arrays\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n ALLOCATE( WORKA( NLAYS_IN ), X3_OLD( NLAYS_IN ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n MSG = 'Failure allocating WORKA, X3_OLD'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n ALLOCATE( HT_BNDY( NBNDY,NLAYS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n MSG = 'Failure allocating HT_BNDY'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n ALLOCATE( HT_CTM( NCOLS_IN,NROWS_IN,NLAYS_IN ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n MSG = 'Failure allocating HT_CTM'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n IF ( .NOT. DESC3( CTM_FL_NAME( 1 ) ) ) THEN\n MSG = 'Could not read DESC of ' // CTM_FL_NAME( 1 ) \n & // ' file'\n CALL M3EXIT ( PNAME, JDATE, JTIME, MSG, XSTAT2 )\n END IF\n\nC Determine type of interpolation to use: linear or rational function\n WRITE( LOGUNIT, 92000 )\n\n L_RATINT = .FALSE.\n MSG = 'Flag for interpolation by rational function'\n! L_RATINT = ENVYN( 'RATIONAL_FUNC', MSG, L_RATINT, STATUS ) \n IF ( .NOT. L_RATINT ) THEN\n MSG = 'Vertical interpolation method: Linear'\n ELSE\n MSG = 'Vertical interpolation method: Rational Function.'\n END IF\n\nC Check if vertical grids are the same or different\n L_IDENTICAL = .TRUE.\n L_SAME_SCALE = .TRUE.\n\nC The following two lines are for testing only\n! L_IDENTICAL = .FALSE.\n! L_SAME_SCALE = .FALSE.\n\n IF ( VGTYP_GD .NE. VGTYP3D ) THEN \n L_IDENTICAL = .FALSE.\n L_SAME_SCALE = .FALSE.\n END IF\n\n IF ( VGTOP_GD .NE. VGTOP3D ) THEN \n L_IDENTICAL = .FALSE.\n L_SAME_SCALE = .FALSE.\n END IF \n\n IF ( NLAYS .EQ. NLAYS_IN ) THEN\n DO L = 1, NLAYS + 1\n WRITE( CHR1, 94000 ) VGLVS_GD( L )\n WRITE( CHR2, 94000 ) VGLVS3D( L )\n IF ( CHR1 .NE. CHR2 ) L_IDENTICAL = .FALSE.\n END DO\n ELSE\n L_IDENTICAL = .FALSE. \n END IF\n\t \nC If either grid uses hybrid vertical coordinates, force height\nC or pressure vertical interpolation\n\n IF ( ( VGTYP_GD . EQ. -9999 ) .OR. ( VGTYP3D . EQ. -9999 ) ) THEN\n L_IDENTICAL = .FALSE.\n L_SAME_SCALE = .FALSE.\n ENDIF\n \nC For same grids, simply report\n IF ( L_IDENTICAL ) THEN\n\n WRITE( LOGUNIT, 92020 ) \n\nC For same type but different resolution, list on output log\n ELSE IF ( L_SAME_SCALE ) THEN\n\n WRITE( LOGUNIT, 92040 )\n WRITE( LOGUNIT, 92060 ) VGDESC( VGTYP_GD )\n WRITE( LOGUNIT, 92080 )\n \n MXLEV = MAX( NLAYS + 1, NLAYS_IN + 1 )\n\n DO L = 1, MXLEV \n IF ( L .LE. NLAYS + 1 .AND. L .LE. NLAYS_IN + 1 ) THEN\n WRITE( LOGUNIT, 92100 ) L, VGLVS_GD( L ), VGLVS3D( L )\n ELSE IF ( L .LE. NLAYS + 1 .AND. L .GT. NLAYS_IN + 1 ) THEN\n WRITE( LOGUNIT, 92100 ) L, VGLVS_GD( L )\n ELSE IF ( L .GT. NLAYS + 1 .AND. L .LE. NLAYS_IN + 1 ) THEN\n WRITE( LOGUNIT, 92120 ) L, VGLVS3D( L )\n END IF\n END DO \n\n WRITE( LOGUNIT, 92140 ) MSG\n\n DO L = 1, NLAYS3D \n X3_OLD( L ) = 0.5 * ( VGLVS3D ( L ) + VGLVS3D ( L + 1 ) )\n END DO\n\n LINC = .FALSE.\n LDEC = .FALSE.\n IF ( VGLVS3D ( NLAYS_IN ) .GT. VGLVS3D ( 1 ) ) THEN\n LINC = .TRUE.\n ELSE\n LDEC = .TRUE.\n END IF\n \nC For different types, check for files\n ELSE\n\n IF ( .NOT. DESC3( MET_CRO_3D_CRS ) ) THEN\n MSG = 'Could not read DESC of ' // MET_CRO_3D_CRS \n & // ' file'\n CALL M3EXIT ( PNAME, JDATE, JTIME, MSG, XSTAT2 )\n END IF\n\n ZP_VNAME = 'ZH'\n V = INDEX1( ZP_VNAME, NVARS3D, VNAME3D )\n IF ( V .NE. 0 ) THEN\n WRITE( LOGUNIT, 92160 ) ZP_VNAME\n ELSE\n ZP_VNAME = 'PRES'\n V = INDEX1( ZP_VNAME, NVARS3D, VNAME3D )\n IF ( V .NE. 0 ) THEN\n WRITE( LOGUNIT, 92160 ) ZP_VNAME\n ELSE\n MSG = 'Could not find ZH or PRES in file ' // MET_CRO_3D_CRS \n CALL M3EXIT ( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n END IF\n END IF\n\n END IF\n\n LFIRST = .FALSE.\n\n RETURN\n\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc For identical vertical coordinates, copy the CTM concs to the output\nC IC array and return\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( L_IDENTICAL ) THEN\n\n DO N =1, NBNDY\n DO L = 1, NLAYS\n DO V = 1, NSPCS_IN\n BCVI( N,L,V ) = BCIN( N,L,V )\n END DO\n END DO\n END DO\n\n RETURN\n\n END IF\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Interpolate by VGLEVS for vertical coords of same type but different\nc resolution\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( L_SAME_SCALE ) THEN\n\n IF ( .NOT. DESC3( CTM_FL_NAME( 1 ) ) ) THEN\n MSG = 'Could not read DESC of ' // CTM_FL_NAME( 1 ) \n & // ' file'\n CALL M3EXIT ( PNAME, JDATE, JTIME, MSG, XSTAT2 )\n END IF\n\n DO V = 1, NSPCS_IN \n\n DO N = 1, NBNDY\n\n DO L = 1, NLAYS_IN\n WORKA( L ) = BCIN( N,L,V )\n END DO\n\n DO L = 1, NLAYS\n\n IF ( NLAYS_IN .EQ. 1 ) THEN\n BCVI( N,L,V ) = WORKA( 1 )\n ELSE\n X3 = 0.5 * ( VGLVS_GD ( L ) + VGLVS_GD ( L + 1 ) )\n IF ( LINC .AND. X3 .LE. X3_OLD( 1 ) ) THEN\n BCVI( N,L,V ) = WORKA( 1 )\n ELSE IF ( LDEC .AND. X3 .GE. X3_OLD( 1 ) ) THEN\n BCVI( N,L,V ) = WORKA( 1 )\n ELSE IF ( LINC .AND. X3 .GE. X3_OLD( NLAYS_IN ) ) THEN\n BCVI( N,L,V ) = WORKA( NLAYS_IN )\n ELSE IF ( LDEC .AND. X3 .LE. X3_OLD( NLAYS_IN ) ) THEN\n BCVI( N,L,V ) = WORKA( NLAYS_IN )\n ELSE\n CALL LR_INTERP ( L_RATINT, X3_OLD, WORKA, NLAYS_IN,\n & X3, Y, DELY )\n BCVI( N,L,V ) = Y\n END IF\n END IF\n\n END DO \n \n END DO\n\n END DO\n\n RETURN\n\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Interpolate by height or pressure for all other vertical grid types; \nc a dynamic array holding heights will need to be allocated\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\nC Get the layer mid-point heights or pressure\n IF ( .NOT. INTERP3( MET_CRO_3D_CRS, ZP_VNAME, PNAME, JDATE, JTIME,\n & NCOLS_IN*NROWS_IN*NLAYS_IN, HT_CTM ) ) THEN\n MSG = 'Could not read '// ZP_VNAME // ' from file ' // MET_CRO_3D_CRS \n CALL M3EXIT ( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n END IF\n\n IF ( .NOT. READ3( MET_BDY_3D_FIN, ZP_VNAME, ALLAYS3, JDATE, JTIME,\n & HT_BNDY ) ) THEN\n MSG = 'Could not read '// ZP_VNAME //' from file ' // MET_BDY_3D_FIN \n CALL M3EXIT ( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n END IF\n\nC Do the interpolation\n\nC... for height interpolation\n IF ( ZP_VNAME .EQ. 'ZH' ) THEN\n\n DO N = 1, NBNDY\n C = COL_LOC( N )\n R = ROW_LOC( N )\n \n DO V = 1, NSPCS_IN \n \n DO L = 1, NLAYS_IN\n WORKA( L ) = BCIN( N,L,V )\n X3_OLD( L ) = HT_CTM( C,R,L )\n END DO\n \n DO L = 1, NLAYS\n \n IF ( NLAYS_IN .EQ. 1 ) THEN\n BCVI( N,L,V ) = WORKA( 1 )\n ELSE\n X3 = HT_BNDY( N,L )\n IF ( X3 .LT. X3_OLD( 1 ) ) THEN\n BCVI( N,L,V ) = WORKA( 1 )\n ELSE IF ( X3 .GT. X3_OLD( NLAYS_IN ) ) THEN\n BCVI( N,L,V ) = WORKA( NLAYS_IN )\n ELSE\n CALL LR_INTERP ( L_RATINT, X3_OLD, WORKA, NLAYS_IN,\n & X3, Y, DELY )\n BCVI( N,L,V ) = Y\n END IF\n END IF\n \n END DO\n \n END DO\n \n END DO\n\nC... for pressure interpolation\n ELSE IF ( ZP_VNAME .EQ. 'PRES' ) THEN\n\n DO N = 1, NBNDY\n C = COL_LOC( N )\n R = ROW_LOC( N )\n \n DO V = 1, NSPCS_IN \n \n DO L = 1, NLAYS_IN\n WORKA( L ) = BCIN( N,L,V )\n X3_OLD( L ) = HT_CTM( C,R,L )\n END DO\n \n DO L = 1, NLAYS\n \n IF ( NLAYS_IN .EQ. 1 ) THEN\n BCVI( N,L,V ) = WORKA( 1 )\n ELSE\n X3 = HT_BNDY( N,L )\n IF ( X3 .GT. X3_OLD( 1 ) ) THEN\n BCVI( N,L,V ) = WORKA( 1 )\n ELSE IF ( X3 .LT. X3_OLD( NLAYS_IN ) ) THEN\n BCVI( N,L,V ) = WORKA( NLAYS_IN )\n ELSE\n CALL LR_INTERP ( L_RATINT, X3_OLD, WORKA, NLAYS_IN,\n & X3, Y, DELY )\n BCVI( N,L,V ) = Y\n END IF\n END IF\n \n END DO\n \n END DO\n \n END DO\n\n END IF\n\n RETURN\n\nC************************* FORMAT STATEMENTS ***************************\n\n92000 FORMAT( // 1X, 79( '#' ) \n & / 1X, '# Vertical Interpolation Section '\n & / 1X, 79( '#' ) ) \n\n92020 FORMAT( // 5X, 'The vertical structure in COORD.EXT is',\n & ' identical to that in the CTM input file. '\n & // 5X, 'No vertical interpolation necessary' )\n\n92040 FORMAT( // 5X, 'The COORD.EXT and CTM vertical grid types are',\n & ' the same, but the resolution is different.' /\n & 5X, 'Vertical interpolation using',\n & ' VGLVS (listed below). ' )\n\n92060 FORMAT( // 5X, 'Vertical grid type: ', A )\n\n92080 FORMAT( // 5X, 'Vertical layer surface values (VGLVS) : '\n & /10X, ' K COORD.EXT Input CTM' )\n\n92100 FORMAT( 10X, I2, 1X, F12.3, 1X, F12.3 )\n\n92120 FORMAT( 10X, I2, 13X, 1X, F12.3 )\n\n92140 FORMAT( //5X, A )\n\n92160 FORMAT( //5X, 'The COORD.EXT and CTM vertical grid types are ',\n & 'different. '\n & / 5X, 'Vertical interpolation using ', A16, 1X,\n & 'from the MET_CRO_3D files' )\n\n94000 FORMAT( 1PE20.4 )\n\n END\n" }, { "path": "PREP/bcon/src/profile/avprofile_cb6r3m_ae7_kmtbr_hemi2016_v53beta2_m3dry_col051_row068.csv", "content": "#\n#\n# The vertical profiles in this file were derived from a simulation with the\n# hemispheric version of CMAQv5.3 beta2 for the year 2016 and represent the annual\n# average values at the model grid cell closest to lat 37N, lon -157W. As such,\n# they are reflective of conditions in a remote marine environment.\n# Model version: CMAQv5.3 beta2 (February 2018), including full halogen and DMS chemistry\n# Grid spacing: 108 x 108 km on a polar stereographic grid covering the northern hemisphere\n# Vertical layers: 44\n# Meteorological fields: WRF3.8\n# Chemical mechanism: CB6R3M_AE7_KMTBR\n# Dry Deposition: M3DRY\n# Top level pressure: 50 hPa\n# The vertical sigma levels used in the simulations were 1.0, 0.9975, 0.9946, 0.9913, 0.9875, 0.9831, 0.9781, 0.9723, 0.9657, 0.958, 0.9492, 0.9391, 0.9275, 0.9141, 0.8987, 0.881, 0.8607, 0.8373, 0.8104, 0.7795, 0.7439, 0.7066, 0.6693, 0.632, 0.5946, 0.5573, 0.52, 0.4827, 0.4454, 0.4081, 0.3708, 0.3352, 0.3013, 0.269, 0.2383, 0.2089, 0.181, 0.1543, 0.1289, 0.1047, 0.0816, 0.0596, 0.0386, 0.0186, 0.\n# The hourly meteorological and air quality fields used to derive these profiles\n# are archived at\n# /asm/ROMO/met/MCIP/WRFv3.8_108NHEMI2_2016_44aL/v4.3\n# /asm/gsarwar/hemisphere/cmaqv53_beta_official/halogen/RUN_C\nVNAME,UNITS,LAYER01,LAYER02,LAYER03,LAYER04,LAYER05,LAYER06,LAYER07,LAYER08,LAYER09,LAYER10,LAYER11,LAYER12,LAYER13,LAYER14,LAYER15,LAYER16,LAYER17,LAYER18,LAYER19,LAYER20,LAYER21,LAYER22,LAYER23,LAYER24,LAYER25,LAYER26,LAYER27,LAYER28,LAYER29,LAYER30,LAYER31,LAYER32,LAYER33,LAYER34,LAYER35,LAYER36,LAYER37,LAYER38,LAYER39,LAYER40,LAYER41,LAYER42,LAYER43,LAYER44\n\"PRES\",\"Pa\",1.0181E+05,1.0155E+05,1.0124E+05,1.0090E+05,1.0050E+05,1.0004E+05,9.9512E+04,9.8907E+04,9.8209E+04,9.7405E+04,9.6483E+04,9.5425E+04,9.4205E+04,9.2802E+04,9.1189E+04,8.9338E+04,8.7211E+04,8.4764E+04,8.1955E+04,7.8726E+04,7.5189E+04,7.1571E+04,6.7955E+04,6.4335E+04,6.0716E+04,5.7103E+04,5.3491E+04,4.9880E+04,4.6270E+04,4.2660E+04,3.9134E+04,3.5772E+04,3.2571E+04,2.9525E+04,2.6619E+04,2.3849E+04,2.1210E+04,1.8691E+04,1.6294E+04,1.4007E+04,1.1827E+04,9.7480E+03,7.7658E+03,5.8994E+03\n\"ZH\",\"m\",1.0185E+01,3.2202E+01,5.7527E+01,8.6595E+01,1.2026E+02,1.5896E+02,2.0360E+02,2.5507E+02,3.1471E+02,3.8393E+02,4.6375E+02,5.5611E+02,6.6348E+02,7.8851E+02,9.3404E+02,1.1037E+03,1.3024E+03,1.5363E+03,1.8124E+03,2.1404E+03,2.5139E+03,2.9122E+03,3.3281E+03,3.7635E+03,4.2199E+03,4.6985E+03,5.2027E+03,5.7356E+03,6.3008E+03,6.9028E+03,7.5326E+03,8.1767E+03,8.8367E+03,9.5144E+03,1.0215E+04,1.0943E+04,1.1706E+04,1.2514E+04,1.3381E+04,1.4327E+04,1.5377E+04,1.6570E+04,1.7971E+04,1.9672E+04\n\"ZF\",\"m\",2.0376E+01,4.4049E+01,7.1042E+01,1.0220E+02,1.3839E+02,1.7965E+02,2.2770E+02,2.8262E+02,3.4704E+02,4.2112E+02,5.0675E+02,6.0593E+02,7.2163E+02,8.5616E+02,1.0129E+03,1.1958E+03,1.4108E+03,1.6642E+03,1.9639E+03,2.3215E+03,2.7113E+03,3.1178E+03,3.5425E+03,3.9882E+03,4.4545E+03,4.9450E+03,5.4623E+03,6.0101E+03,6.5922E+03,7.2137E+03,7.8492E+03,8.4992E+03,9.1663E+03,9.8517E+03,1.0565E+04,1.1305E+04,1.2088E+04,1.2920E+04,1.3820E+04,1.4811E+04,1.5922E+04,1.7203E+04,1.8737E+04,2.0630E+04\n\"NO2\",\"ppmV\",6.6340E-05,6.6796E-05,6.6922E-05,6.6177E-05,6.4715E-05,6.2867E-05,6.0041E-05,5.6255E-05,5.1951E-05,4.5938E-05,4.0521E-05,3.4780E-05,2.8720E-05,2.3493E-05,1.9597E-05,1.6787E-05,1.5173E-05,1.4585E-05,1.4266E-05,1.4116E-05,1.4251E-05,1.4319E-05,1.4233E-05,1.4064E-05,1.3687E-05,1.3181E-05,1.2740E-05,1.2514E-05,1.2451E-05,1.2474E-05,1.2502E-05,1.2353E-05,1.2808E-05,1.4997E-05,1.9617E-05,2.7260E-05,3.8994E-05,5.4639E-05,6.8561E-05,7.6627E-05,7.5617E-05,6.3001E-05,4.8090E-05,4.3083E-05\n\"NO\",\"ppmV\",7.2144E-06,7.3730E-06,7.4601E-06,7.4466E-06,7.3613E-06,7.2416E-06,7.0311E-06,6.6916E-06,6.3119E-06,5.6598E-06,5.0381E-06,4.2618E-06,3.4291E-06,2.7848E-06,2.3578E-06,2.1133E-06,2.1074E-06,2.2526E-06,2.4147E-06,2.6503E-06,2.8846E-06,3.1123E-06,3.2766E-06,3.4103E-06,3.4601E-06,3.4512E-06,3.4415E-06,3.4898E-06,3.5906E-06,3.8024E-06,4.2152E-06,4.8017E-06,5.6343E-06,7.1210E-06,9.8450E-06,1.4435E-05,2.1738E-05,3.2158E-05,4.3065E-05,5.0186E-05,4.8429E-05,3.3735E-05,2.1517E-05,1.6864E-05\n\"O\",\"ppmV\",3.8603E-11,3.8812E-11,3.9056E-11,3.9343E-11,3.9675E-11,4.0051E-11,4.0482E-11,4.0945E-11,4.1561E-11,4.2239E-11,4.3006E-11,4.3888E-11,4.5004E-11,4.7042E-11,5.0541E-11,5.6034E-11,6.3750E-11,7.4093E-11,8.6548E-11,1.0154E-10,1.1697E-10,1.3212E-10,1.5010E-10,1.7023E-10,1.9240E-10,2.1622E-10,2.4565E-10,2.7920E-10,3.1736E-10,3.6463E-10,4.2229E-10,4.8877E-10,5.6881E-10,6.8126E-10,8.5665E-10,1.1459E-09,1.6585E-09,2.5873E-09,4.2072E-09,6.8147E-09,1.2126E-08,3.5498E-08,1.0625E-07,3.1959E-07\n\"O3\",\"ppmV\",2.9161E-02,2.9199E-02,2.9224E-02,2.9248E-02,2.9269E-02,2.9281E-02,2.9272E-02,2.9255E-02,2.9223E-02,2.9169E-02,2.9080E-02,2.8937E-02,2.8799E-02,2.8765E-02,2.8893E-02,2.9350E-02,3.0209E-02,3.1435E-02,3.2929E-02,3.4513E-02,3.5984E-02,3.7178E-02,3.8616E-02,4.0045E-02,4.1376E-02,4.2611E-02,4.4088E-02,4.5630E-02,4.7194E-02,4.9188E-02,5.1548E-02,5.3966E-02,5.6724E-02,6.0943E-02,6.7715E-02,7.8145E-02,9.5154E-02,1.2077E-01,1.5412E-01,1.8935E-01,2.4817E-01,5.0322E-01,9.5965E-01,1.5979E+00\n\"NO3\",\"ppmV\",6.3187E-07,6.2968E-07,6.3097E-07,6.4506E-07,6.5590E-07,6.6183E-07,6.6537E-07,6.6536E-07,6.5320E-07,6.3312E-07,5.9775E-07,5.4907E-07,5.0193E-07,4.5953E-07,4.4594E-07,5.0130E-07,6.6699E-07,8.9583E-07,1.0496E-06,1.1350E-06,1.1663E-06,1.1349E-06,1.0802E-06,9.5796E-07,7.9399E-07,6.2079E-07,4.7188E-07,3.5158E-07,2.4900E-07,1.6760E-07,1.1428E-07,8.2820E-08,6.7278E-08,6.1577E-08,6.1982E-08,6.7476E-08,7.9045E-08,9.4692E-08,1.1180E-07,1.2675E-07,1.5191E-07,2.7289E-07,4.6452E-07,7.3013E-07\n\"O1D\",\"ppmV\",1.6712E-16,1.6856E-16,1.7001E-16,1.7172E-16,1.7370E-16,1.7596E-16,1.7855E-16,1.8149E-16,1.8528E-16,1.8930E-16,1.9392E-16,1.9881E-16,2.0464E-16,2.1488E-16,2.3064E-16,2.5434E-16,2.8871E-16,3.3485E-16,3.8979E-16,4.5629E-16,5.2276E-16,5.8630E-16,6.6095E-16,7.4259E-16,8.2816E-16,9.1799E-16,1.0293E-15,1.1509E-15,1.2832E-15,1.4393E-15,1.6216E-15,1.8179E-15,2.0308E-15,2.3090E-15,2.7256E-15,3.3877E-15,4.5082E-15,6.4284E-15,9.5939E-15,1.4124E-14,2.2220E-14,5.6737E-14,1.4352E-13,3.5638E-13\n\"OH\",\"ppmV\",6.0366E-08,6.0562E-08,6.1000E-08,6.1379E-08,6.1711E-08,6.2012E-08,6.2213E-08,6.2077E-08,6.1983E-08,6.0947E-08,5.9674E-08,5.7616E-08,5.4852E-08,5.3335E-08,5.3206E-08,5.3755E-08,5.4897E-08,5.6402E-08,5.7453E-08,5.8815E-08,6.0164E-08,6.1768E-08,6.4640E-08,6.7645E-08,7.0591E-08,7.2452E-08,7.3521E-08,7.3860E-08,7.3770E-08,7.4195E-08,7.5473E-08,7.6496E-08,7.7293E-08,8.1134E-08,9.0883E-08,1.0825E-07,1.3586E-07,1.7014E-07,2.0116E-07,2.1659E-07,2.1076E-07,1.7690E-07,2.0264E-07,3.2388E-07\n\"HO2\",\"ppmV\",4.5845E-06,4.6367E-06,4.6599E-06,4.6682E-06,4.6763E-06,4.6855E-06,4.6920E-06,4.6936E-06,4.6890E-06,4.6450E-06,4.6153E-06,4.5574E-06,4.4658E-06,4.3982E-06,4.3795E-06,4.4428E-06,4.5856E-06,4.7740E-06,4.9463E-06,5.1168E-06,5.2688E-06,5.3754E-06,5.5075E-06,5.6085E-06,5.6576E-06,5.6511E-06,5.6188E-06,5.5588E-06,5.4744E-06,5.3722E-06,5.2422E-06,5.0328E-06,4.7472E-06,4.4507E-06,4.1520E-06,3.7788E-06,3.2777E-06,2.6911E-06,2.1558E-06,1.7747E-06,1.6664E-06,1.8955E-06,2.7525E-06,4.7458E-06\n\"H2O2\",\"ppmV\",5.1257E-04,5.3974E-04,5.5367E-04,5.6530E-04,5.7909E-04,5.9503E-04,6.1439E-04,6.3715E-04,6.5573E-04,6.7416E-04,6.9756E-04,7.2662E-04,7.6540E-04,7.9608E-04,8.1564E-04,8.3223E-04,8.4987E-04,8.6162E-04,8.5832E-04,8.4836E-04,8.3580E-04,8.1652E-04,8.0261E-04,7.8072E-04,7.5124E-04,7.1392E-04,6.7334E-04,6.2979E-04,5.8658E-04,5.4045E-04,4.9797E-04,4.5967E-04,4.1796E-04,3.7263E-04,3.2313E-04,2.6285E-04,1.9031E-04,1.1705E-04,6.1154E-05,3.2212E-05,2.3841E-05,2.5087E-05,3.9882E-05,7.2126E-05\n\"N2O5\",\"ppmV\",1.4333E-07,1.4664E-07,1.5120E-07,1.5856E-07,1.6235E-07,1.6449E-07,1.6405E-07,1.5999E-07,1.5120E-07,1.3865E-07,1.2856E-07,1.1633E-07,1.0308E-07,8.9114E-08,7.8068E-08,7.9675E-08,9.9028E-08,1.2365E-07,1.4295E-07,1.5845E-07,1.7628E-07,1.9729E-07,2.2240E-07,2.5204E-07,2.8281E-07,3.1187E-07,3.4056E-07,3.9074E-07,4.5304E-07,5.0121E-07,5.2469E-07,5.2112E-07,5.5215E-07,6.8507E-07,9.4310E-07,1.3493E-06,1.9178E-06,2.5500E-06,2.9707E-06,3.0946E-06,3.1626E-06,3.5277E-06,3.4423E-06,3.3305E-06\n\"HNO3\",\"ppmV\",1.1296E-05,1.1928E-05,1.2155E-05,1.2261E-05,1.2317E-05,1.2156E-05,1.1883E-05,1.1545E-05,1.0987E-05,1.0227E-05,9.9711E-06,9.8638E-06,9.7907E-06,1.0530E-05,1.2512E-05,1.8034E-05,3.0055E-05,4.7423E-05,6.4056E-05,7.7291E-05,8.3831E-05,8.4526E-05,8.4486E-05,8.2895E-05,7.9090E-05,7.3036E-05,6.8584E-05,6.4736E-05,6.0816E-05,5.5745E-05,5.5408E-05,5.5273E-05,5.4269E-05,5.4872E-05,5.9484E-05,7.0880E-05,8.7866E-05,1.1265E-04,1.3038E-04,1.3988E-04,1.4946E-04,1.6838E-04,1.9535E-04,1.9161E-04\n\"HONO\",\"ppmV\",3.3461E-07,3.4992E-07,3.5849E-07,3.6089E-07,3.5785E-07,3.5096E-07,3.3763E-07,3.1712E-07,2.9543E-07,2.6255E-07,2.2851E-07,1.8698E-07,1.4365E-07,1.1021E-07,8.7631E-08,7.3264E-08,6.7000E-08,6.6187E-08,6.6166E-08,6.7586E-08,6.9295E-08,7.0745E-08,7.1913E-08,7.2734E-08,7.1550E-08,6.8123E-08,6.3899E-08,6.0527E-08,5.8392E-08,5.8271E-08,6.1562E-08,6.7752E-08,7.9215E-08,1.0376E-07,1.5176E-07,2.3865E-07,3.8720E-07,5.9753E-07,7.6866E-07,7.8259E-07,5.6568E-07,2.1496E-07,8.7024E-08,5.8805E-08\n\"PNA\",\"ppmV\",3.5926E-07,3.7866E-07,3.9289E-07,4.0122E-07,4.0689E-07,4.1210E-07,4.1277E-07,4.0766E-07,4.0073E-07,3.7959E-07,3.6451E-07,3.4780E-07,3.3236E-07,3.1830E-07,3.0581E-07,2.9388E-07,2.9239E-07,3.0023E-07,3.1293E-07,3.4970E-07,4.1849E-07,5.2656E-07,6.9418E-07,9.5067E-07,1.3167E-06,1.8429E-06,2.6609E-06,3.9784E-06,6.0713E-06,9.4273E-06,1.4684E-05,2.1413E-05,2.8096E-05,3.3592E-05,3.7718E-05,3.9703E-05,3.8755E-05,3.4763E-05,2.8636E-05,2.2626E-05,1.9823E-05,2.1231E-05,2.2125E-05,2.1899E-05\n\"SO2\",\"ppmV\",5.4419E-05,5.7190E-05,5.8218E-05,5.8532E-05,5.8427E-05,5.8076E-05,5.6737E-05,5.5279E-05,5.3316E-05,5.0380E-05,4.6993E-05,4.2074E-05,3.5639E-05,2.6521E-05,1.8388E-05,1.5800E-05,1.8716E-05,2.1264E-05,2.4586E-05,2.7278E-05,2.7665E-05,2.6659E-05,2.6705E-05,2.5772E-05,2.4252E-05,2.2407E-05,2.0919E-05,2.0136E-05,2.0123E-05,2.0101E-05,1.9046E-05,1.7068E-05,1.4982E-05,1.3413E-05,1.1794E-05,1.0069E-05,8.6617E-06,7.1621E-06,5.5823E-06,4.0001E-06,2.7499E-06,1.7931E-06,1.1180E-06,8.0612E-07\n\"SULF\",\"ppmV\",1.6720E-07,1.7569E-07,1.7756E-07,1.7711E-07,1.7452E-07,1.7050E-07,1.6153E-07,1.4987E-07,1.3738E-07,1.2117E-07,1.0734E-07,9.0002E-08,7.2717E-08,5.4227E-08,3.7109E-08,3.4845E-08,4.5294E-08,5.9706E-08,6.8169E-08,7.5562E-08,7.9035E-08,7.6465E-08,7.7757E-08,7.8088E-08,7.9160E-08,7.9157E-08,7.7910E-08,7.7103E-08,7.9267E-08,8.1962E-08,8.1817E-08,7.8580E-08,7.6504E-08,7.6451E-08,8.1206E-08,9.1340E-08,1.0115E-07,1.0350E-07,9.5225E-08,7.9370E-08,6.2000E-08,4.3847E-08,3.5556E-08,4.4403E-08\n\"C2O3\",\"ppmV\",1.0740E-07,1.0587E-07,1.0362E-07,1.0109E-07,9.8337E-08,9.5361E-08,9.2376E-08,8.9583E-08,8.7055E-08,8.5953E-08,8.4665E-08,8.3748E-08,8.3675E-08,8.5581E-08,8.9582E-08,9.5431E-08,1.0206E-07,1.1157E-07,1.1922E-07,1.2308E-07,1.2169E-07,1.1780E-07,1.1604E-07,1.1199E-07,1.0591E-07,9.9504E-08,9.3997E-08,8.9535E-08,8.7233E-08,8.6632E-08,8.7507E-08,8.8590E-08,8.8713E-08,8.6475E-08,8.0929E-08,7.0583E-08,5.5212E-08,3.8289E-08,2.3162E-08,1.3492E-08,9.4754E-09,8.3480E-09,8.3054E-09,8.9216E-09\n\"MEO2\",\"ppmV\",8.6950E-06,7.4164E-06,7.1217E-06,7.2174E-06,7.4109E-06,7.5912E-06,7.8079E-06,8.1088E-06,8.4741E-06,9.2250E-06,9.2637E-06,9.2144E-06,9.1643E-06,9.2011E-06,9.3374E-06,9.3564E-06,9.1005E-06,8.6430E-06,8.1513E-06,7.6227E-06,7.1320E-06,6.7055E-06,6.3626E-06,6.0667E-06,5.8294E-06,5.5861E-06,5.3286E-06,5.0016E-06,4.6250E-06,4.2031E-06,3.7424E-06,3.2692E-06,2.7966E-06,2.3210E-06,1.8463E-06,1.3901E-06,9.8067E-07,6.6300E-07,4.8593E-07,4.0717E-07,4.1041E-07,5.6420E-07,8.9855E-07,1.4853E-06\n\"RO2\",\"ppmV\",4.8040E-06,4.5835E-06,4.5255E-06,4.5414E-06,4.5828E-06,4.6327E-06,4.7096E-06,4.8215E-06,4.9711E-06,5.2587E-06,5.4700E-06,5.7475E-06,6.1064E-06,6.5047E-06,6.8925E-06,7.1045E-06,7.0667E-06,6.8932E-06,6.6447E-06,6.3227E-06,5.8774E-06,5.4995E-06,5.2431E-06,4.9954E-06,4.8154E-06,4.6312E-06,4.4406E-06,4.2059E-06,3.9391E-06,3.6312E-06,3.2884E-06,2.9246E-06,2.5517E-06,2.1723E-06,1.7882E-06,1.4007E-06,1.0239E-06,7.0986E-07,5.1157E-07,4.1569E-07,4.1154E-07,5.6985E-07,9.4184E-07,1.5876E-06\n\"PAN\",\"ppmV\",3.8228E-05,3.8791E-05,3.9043E-05,3.9227E-05,3.9389E-05,3.9543E-05,3.9684E-05,3.9811E-05,3.9918E-05,4.0036E-05,4.0216E-05,4.0523E-05,4.1038E-05,4.2223E-05,4.4178E-05,4.7079E-05,5.0918E-05,5.5600E-05,6.1500E-05,6.7600E-05,7.4255E-05,8.1609E-05,9.2134E-05,1.0609E-04,1.2281E-04,1.4176E-04,1.6092E-04,1.7639E-04,1.8724E-04,1.9373E-04,1.9772E-04,1.9960E-04,1.9884E-04,1.9764E-04,1.9792E-04,1.9448E-04,1.8477E-04,1.6810E-04,1.4118E-04,1.0645E-04,8.3040E-05,6.9616E-05,5.7734E-05,5.0252E-05\n\"PACD\",\"ppmV\",4.3599E-06,4.6107E-06,4.7292E-06,4.8228E-06,4.9199E-06,5.0252E-06,5.1536E-06,5.3307E-06,5.5331E-06,5.7839E-06,6.0698E-06,6.4127E-06,6.8619E-06,7.4201E-06,8.1324E-06,8.9817E-06,9.9755E-06,1.1024E-05,1.1961E-05,1.2618E-05,1.3016E-05,1.3252E-05,1.3788E-05,1.4331E-05,1.4797E-05,1.5381E-05,1.6157E-05,1.6967E-05,1.7759E-05,1.8309E-05,1.8617E-05,1.8737E-05,1.8578E-05,1.7921E-05,1.6449E-05,1.3392E-05,8.9485E-06,4.5288E-06,1.6749E-06,6.6387E-07,4.6299E-07,5.0874E-07,6.0506E-07,6.6155E-07\n\"AACD\",\"ppmV\",1.3635E-05,1.4400E-05,1.4810E-05,1.5170E-05,1.5584E-05,1.6102E-05,1.6793E-05,1.7777E-05,1.8794E-05,2.0004E-05,2.1448E-05,2.3253E-05,2.5807E-05,2.8847E-05,3.2327E-05,3.5629E-05,3.9726E-05,4.3926E-05,4.7200E-05,4.9149E-05,4.9389E-05,4.8503E-05,4.9518E-05,5.0880E-05,5.1731E-05,5.2761E-05,5.4347E-05,5.5398E-05,5.5720E-05,5.4681E-05,5.3445E-05,5.2223E-05,5.0406E-05,4.7519E-05,4.3293E-05,3.6407E-05,2.6559E-05,1.5847E-05,7.3009E-06,2.8542E-06,1.6666E-06,1.4577E-06,1.4987E-06,1.5232E-06\n\"CXO3\",\"ppmV\",2.3667E-08,2.3094E-08,2.2555E-08,2.2021E-08,2.1450E-08,2.0822E-08,2.0178E-08,1.9559E-08,1.8976E-08,1.8679E-08,1.8314E-08,1.7999E-08,1.7829E-08,1.7882E-08,1.8237E-08,1.8751E-08,1.9474E-08,2.0481E-08,2.1034E-08,2.0920E-08,2.0036E-08,1.8793E-08,1.8029E-08,1.7486E-08,1.6996E-08,1.6905E-08,1.7371E-08,1.8192E-08,1.9232E-08,2.0146E-08,2.1048E-08,2.1769E-08,2.2240E-08,2.2041E-08,2.0791E-08,1.8147E-08,1.4135E-08,9.8269E-09,6.0438E-09,3.5730E-09,2.5485E-09,2.3485E-09,2.1784E-09,2.0733E-09\n\"ALD2\",\"ppmV\",1.3729E-05,1.4251E-05,1.4493E-05,1.4678E-05,1.4854E-05,1.5021E-05,1.5209E-05,1.5427E-05,1.5658E-05,1.5940E-05,1.6240E-05,1.6560E-05,1.6947E-05,1.7425E-05,1.8003E-05,1.8666E-05,1.9455E-05,2.0285E-05,2.0915E-05,2.1127E-05,2.0928E-05,2.0652E-05,2.0737E-05,2.0831E-05,2.0824E-05,2.0962E-05,2.1223E-05,2.1535E-05,2.1812E-05,2.1853E-05,2.1652E-05,2.1319E-05,2.0844E-05,2.0170E-05,1.9037E-05,1.6793E-05,1.3403E-05,9.7396E-06,6.5811E-06,4.1835E-06,2.9332E-06,2.0810E-06,1.2495E-06,8.2145E-07\n\"XO2H\",\"ppmV\",2.3926E-07,2.2315E-07,2.1890E-07,2.1968E-07,2.2196E-07,2.2461E-07,2.2907E-07,2.3534E-07,2.4486E-07,2.6324E-07,2.7541E-07,2.8403E-07,2.9165E-07,3.0322E-07,3.1709E-07,3.2509E-07,3.2704E-07,3.2698E-07,3.2728E-07,3.2212E-07,2.8271E-07,2.4913E-07,2.3119E-07,2.1866E-07,2.1431E-07,2.1288E-07,2.1455E-07,2.1578E-07,2.1630E-07,2.1318E-07,2.0898E-07,2.0352E-07,1.9479E-07,1.8137E-07,1.6214E-07,1.3494E-07,9.9958E-08,6.5917E-08,3.9303E-08,2.3454E-08,1.7339E-08,1.7828E-08,2.0278E-08,2.2589E-08\n\"PANX\",\"ppmV\",7.8003E-06,7.8767E-06,7.9108E-06,7.9355E-06,7.9555E-06,7.9734E-06,7.9878E-06,8.0010E-06,8.0088E-06,8.0135E-06,8.0170E-06,8.0279E-06,8.0492E-06,8.1410E-06,8.2922E-06,8.5073E-06,8.8033E-06,9.1541E-06,9.5672E-06,9.8958E-06,1.0179E-05,1.0434E-05,1.0815E-05,1.1184E-05,1.1482E-05,1.1791E-05,1.2077E-05,1.2321E-05,1.2480E-05,1.2521E-05,1.2450E-05,1.2325E-05,1.2070E-05,1.1785E-05,1.1558E-05,1.0608E-05,8.6313E-06,5.9178E-06,3.5712E-06,1.9356E-06,1.3823E-06,1.2794E-06,1.0557E-06,8.0651E-07\n\"FORM\",\"ppmV\",2.5836E-04,2.7236E-04,2.7921E-04,2.8447E-04,2.8944E-04,2.9357E-04,2.9725E-04,2.9978E-04,3.0019E-04,2.9887E-04,2.9685E-04,2.9139E-04,2.8318E-04,2.7275E-04,2.6259E-04,2.5360E-04,2.4613E-04,2.3900E-04,2.2865E-04,2.1746E-04,2.0534E-04,1.9350E-04,1.8264E-04,1.7112E-04,1.5951E-04,1.4658E-04,1.3323E-04,1.1977E-04,1.0681E-04,9.4717E-05,8.4285E-05,7.5295E-05,6.7538E-05,6.1333E-05,5.6508E-05,5.1801E-05,4.6164E-05,3.9182E-05,3.1702E-05,2.4450E-05,1.8445E-05,1.2608E-05,1.0866E-05,1.2370E-05\n\"MEPX\",\"ppmV\",2.1311E-04,2.2453E-04,2.3031E-04,2.3524E-04,2.4083E-04,2.4706E-04,2.5552E-04,2.6718E-04,2.8019E-04,2.9805E-04,3.2061E-04,3.5282E-04,3.9566E-04,4.4014E-04,4.7738E-04,5.0446E-04,5.1777E-04,5.1550E-04,5.0540E-04,4.8642E-04,4.6199E-04,4.3882E-04,4.1937E-04,4.0049E-04,3.8410E-04,3.6863E-04,3.5379E-04,3.3555E-04,3.1454E-04,2.8879E-04,2.5992E-04,2.3146E-04,2.0315E-04,1.7231E-04,1.3861E-04,1.0031E-04,6.0143E-05,2.6971E-05,1.0247E-05,5.1865E-06,4.3496E-06,5.6339E-06,1.0194E-05,1.8864E-05\n\"MEOH\",\"ppmV\",4.3138E-05,4.5415E-05,4.6575E-05,4.7588E-05,4.8795E-05,5.0293E-05,5.2349E-05,5.5058E-05,5.7981E-05,6.2005E-05,6.7639E-05,7.5963E-05,8.7435E-05,1.0016E-04,1.1220E-04,1.2093E-04,1.2634E-04,1.2846E-04,1.2791E-04,1.2437E-04,1.1876E-04,1.1305E-04,1.1082E-04,1.1080E-04,1.1183E-04,1.1447E-04,1.1838E-04,1.2092E-04,1.2182E-04,1.2127E-04,1.2036E-04,1.2188E-04,1.2385E-04,1.2449E-04,1.2384E-04,1.1445E-04,9.3272E-05,6.5750E-05,4.0110E-05,2.0940E-05,1.2342E-05,8.3425E-06,6.2973E-06,5.2706E-06\n\"ROOH\",\"ppmV\",3.3657E-05,3.5798E-05,3.6811E-05,3.7612E-05,3.8413E-05,3.9210E-05,4.0097E-05,4.1213E-05,4.2471E-05,4.3987E-05,4.5730E-05,4.7745E-05,5.0220E-05,5.3131E-05,5.6368E-05,5.9076E-05,6.1312E-05,6.2988E-05,6.3429E-05,6.2735E-05,6.0835E-05,5.8832E-05,5.8990E-05,5.9574E-05,6.0287E-05,6.1470E-05,6.2809E-05,6.3592E-05,6.3558E-05,6.2391E-05,6.0235E-05,5.7316E-05,5.3624E-05,4.8687E-05,4.2202E-05,3.2541E-05,2.0369E-05,9.3571E-06,3.0873E-06,9.9121E-07,6.1240E-07,6.5096E-07,7.8079E-07,8.7692E-07\n\"XO2\",\"ppmV\",1.4572E-07,1.3855E-07,1.3696E-07,1.3781E-07,1.3956E-07,1.4165E-07,1.4475E-07,1.4886E-07,1.5481E-07,1.6400E-07,1.7076E-07,1.7488E-07,1.7819E-07,1.8392E-07,1.8938E-07,1.9041E-07,1.8871E-07,1.8629E-07,1.9007E-07,1.9365E-07,1.6154E-07,1.3668E-07,1.2222E-07,1.1260E-07,1.0986E-07,1.0748E-07,1.0374E-07,9.8293E-08,9.1672E-08,8.3810E-08,7.6704E-08,7.0801E-08,6.3937E-08,5.6566E-08,4.9115E-08,4.0563E-08,2.9242E-08,1.7864E-08,9.0280E-09,2.9480E-09,1.0093E-09,9.4003E-10,9.2327E-10,4.9433E-10\n\"XO2N\",\"ppmV\",3.6262E-08,3.4891E-08,3.4679E-08,3.5014E-08,3.5573E-08,3.6226E-08,3.7143E-08,3.8338E-08,4.0021E-08,4.2608E-08,4.4707E-08,4.6322E-08,4.7828E-08,4.9978E-08,5.2266E-08,5.3347E-08,5.3361E-08,5.3122E-08,5.4246E-08,5.5260E-08,4.6801E-08,3.9985E-08,3.6283E-08,3.3951E-08,3.3679E-08,3.3606E-08,3.3418E-08,3.2828E-08,3.1882E-08,3.0297E-08,2.8602E-08,2.6877E-08,2.4465E-08,2.1497E-08,1.8193E-08,1.4265E-08,9.5015E-09,5.1674E-09,2.2286E-09,6.7808E-10,2.8319E-10,3.4899E-10,5.3472E-10,7.1883E-10\n\"XPAR\",\"ppmV\",5.6690E-10,5.4615E-10,5.3991E-10,5.3643E-10,5.3405E-10,5.3248E-10,5.3116E-10,5.3077E-10,5.3164E-10,5.3045E-10,5.2869E-10,5.2420E-10,5.1976E-10,5.1676E-10,5.1283E-10,5.0212E-10,4.7470E-10,4.4922E-10,4.2190E-10,3.9046E-10,3.2247E-10,2.6721E-10,2.3923E-10,2.1911E-10,2.0523E-10,1.9305E-10,1.8463E-10,1.7870E-10,1.7492E-10,1.6566E-10,1.5670E-10,1.5219E-10,1.4756E-10,1.3902E-10,1.3381E-10,1.2697E-10,1.0985E-10,7.8729E-11,4.2407E-11,9.5692E-12,1.2656E-12,5.0777E-13,3.0763E-13,9.5374E-14\n\"XPRP\",\"ppmV\",3.7542E-11,3.7302E-11,3.7283E-11,3.7247E-11,3.7191E-11,3.7138E-11,3.7028E-11,3.6885E-11,3.6722E-11,3.6289E-11,3.5776E-11,3.5219E-11,3.4807E-11,3.4415E-11,3.3930E-11,3.3484E-11,3.2542E-11,3.1494E-11,2.9813E-11,2.7812E-11,2.5228E-11,2.2590E-11,2.1026E-11,2.0028E-11,1.9182E-11,1.8341E-11,1.7631E-11,1.6734E-11,1.5708E-11,1.4492E-11,1.3354E-11,1.2357E-11,1.1476E-11,1.0735E-11,1.0341E-11,1.0047E-11,9.5082E-12,8.1384E-12,5.8092E-12,2.8989E-12,1.2879E-12,5.8052E-13,3.4222E-13,3.0783E-13\n\"NTR1\",\"ppmV\",1.8156E-05,1.8218E-05,1.8245E-05,1.8263E-05,1.8273E-05,1.8279E-05,1.8273E-05,1.8264E-05,1.8242E-05,1.8206E-05,1.8134E-05,1.8035E-05,1.7894E-05,1.7747E-05,1.7569E-05,1.7359E-05,1.7131E-05,1.6963E-05,1.6710E-05,1.6341E-05,1.5906E-05,1.5554E-05,1.5420E-05,1.5271E-05,1.5061E-05,1.4916E-05,1.4752E-05,1.4562E-05,1.4345E-05,1.4073E-05,1.3703E-05,1.3311E-05,1.2833E-05,1.2299E-05,1.1685E-05,1.0637E-05,8.6778E-06,6.1104E-06,3.4635E-06,1.2812E-06,4.6934E-07,2.3638E-07,1.4932E-07,1.0455E-07\n\"NTR2\",\"ppmV\",5.4688E-06,5.7673E-06,5.9116E-06,6.0300E-06,6.1421E-06,6.2461E-06,6.3486E-06,6.4528E-06,6.5429E-06,6.6403E-06,6.7559E-06,6.8921E-06,7.0549E-06,7.2630E-06,7.5730E-06,8.0313E-06,8.7346E-06,9.6466E-06,1.0594E-05,1.1412E-05,1.2090E-05,1.2625E-05,1.3439E-05,1.4327E-05,1.4972E-05,1.5228E-05,1.5651E-05,1.6585E-05,1.7589E-05,1.8554E-05,1.9768E-05,2.1044E-05,2.2384E-05,2.4256E-05,2.7126E-05,3.0980E-05,3.5655E-05,4.0636E-05,4.3281E-05,4.3571E-05,4.2569E-05,4.1763E-05,4.1359E-05,4.1049E-05\n\"FACD\",\"ppmV\",2.5016E-06,2.6572E-06,2.7403E-06,2.8115E-06,2.8902E-06,2.9876E-06,3.1147E-06,3.2969E-06,3.4775E-06,3.6624E-06,3.8727E-06,4.1221E-06,4.4881E-06,4.9422E-06,5.5250E-06,6.1458E-06,7.0990E-06,8.0676E-06,8.9557E-06,9.6126E-06,1.0030E-05,1.0155E-05,1.0643E-05,1.1305E-05,1.1888E-05,1.2546E-05,1.3423E-05,1.4243E-05,1.5046E-05,1.5824E-05,1.6707E-05,1.7673E-05,1.8546E-05,1.9713E-05,2.1695E-05,2.4405E-05,2.7601E-05,3.0334E-05,3.0520E-05,2.7845E-05,2.4008E-05,2.0254E-05,1.7855E-05,1.6971E-05\n\"CO\",\"ppmV\",7.5943E-02,7.5946E-02,7.5950E-02,7.5953E-02,7.5958E-02,7.5976E-02,7.6006E-02,7.6047E-02,7.6090E-02,7.6135E-02,7.6189E-02,7.6255E-02,7.6342E-02,7.6419E-02,7.6513E-02,7.6674E-02,7.6836E-02,7.7084E-02,7.7237E-02,7.7334E-02,7.7411E-02,7.7441E-02,7.7775E-02,7.8171E-02,7.8480E-02,7.8959E-02,7.9522E-02,7.9935E-02,8.0032E-02,7.9805E-02,7.9285E-02,7.8616E-02,7.7637E-02,7.6295E-02,7.4371E-02,7.1103E-02,6.5700E-02,5.8552E-02,5.0365E-02,4.1961E-02,3.6315E-02,3.1794E-02,2.7971E-02,2.6139E-02\n\"HCO3\",\"ppmV\",4.1003E-11,4.4441E-11,4.6610E-11,4.8549E-11,5.0583E-11,5.2677E-11,5.4753E-11,5.6663E-11,5.8400E-11,5.9362E-11,6.0462E-11,6.0844E-11,6.0366E-11,6.0810E-11,6.2002E-11,6.3696E-11,6.5874E-11,6.9009E-11,7.0511E-11,7.3740E-11,7.9093E-11,8.6305E-11,9.7555E-11,1.1260E-10,1.3215E-10,1.5653E-10,1.8826E-10,2.3142E-10,2.9098E-10,3.7992E-10,5.1836E-10,7.3451E-10,1.0755E-09,1.6308E-09,2.5249E-09,3.6646E-09,4.4686E-09,4.1260E-09,2.9851E-09,1.9291E-09,1.3809E-09,1.0033E-09,9.7498E-10,1.1534E-09\n\"ALDX\",\"ppmV\",3.2950E-06,3.4916E-06,3.5771E-06,3.6377E-06,3.6893E-06,3.7329E-06,3.7737E-06,3.8162E-06,3.8595E-06,3.9059E-06,3.9527E-06,3.9899E-06,4.0202E-06,4.0580E-06,4.0851E-06,4.0850E-06,4.0558E-06,4.0126E-06,3.8986E-06,3.6984E-06,3.4292E-06,3.1951E-06,3.0767E-06,2.9608E-06,2.8477E-06,2.7497E-06,2.6330E-06,2.5032E-06,2.3613E-06,2.1939E-06,1.9963E-06,1.7892E-06,1.5734E-06,1.3594E-06,1.1493E-06,9.0847E-07,6.2337E-07,3.5398E-07,1.6210E-07,4.7574E-08,1.5523E-08,8.3044E-09,5.3354E-09,3.0377E-09\n\"GLYD\",\"ppmV\",2.1931E-07,2.3215E-07,2.3711E-07,2.4019E-07,2.4273E-07,2.4480E-07,2.4671E-07,2.4875E-07,2.5131E-07,2.5434E-07,2.5774E-07,2.6133E-07,2.6714E-07,2.7526E-07,2.9008E-07,3.1067E-07,3.3956E-07,3.6205E-07,3.7799E-07,3.8303E-07,3.7983E-07,3.7753E-07,3.8294E-07,3.8475E-07,3.9118E-07,4.0069E-07,4.1389E-07,4.4194E-07,4.7788E-07,5.1594E-07,5.4520E-07,5.5635E-07,5.4947E-07,5.3653E-07,5.1729E-07,4.5683E-07,3.4555E-07,1.9994E-07,8.7565E-08,2.0812E-08,3.4622E-09,9.9008E-10,2.4377E-10,5.7279E-11\n\"GLY\",\"ppmV\",2.5501E-07,2.6795E-07,2.7274E-07,2.7529E-07,2.7780E-07,2.7784E-07,2.7630E-07,2.7489E-07,2.7131E-07,2.6531E-07,2.5842E-07,2.5067E-07,2.4191E-07,2.3377E-07,2.2307E-07,2.2599E-07,2.4034E-07,2.5115E-07,2.6650E-07,2.7446E-07,2.6930E-07,2.6159E-07,2.6653E-07,2.6797E-07,2.6548E-07,2.6317E-07,2.6101E-07,2.5668E-07,2.4974E-07,2.3907E-07,2.2755E-07,2.1476E-07,2.0168E-07,1.9008E-07,1.8259E-07,1.7489E-07,1.5838E-07,1.2637E-07,8.1532E-08,3.5842E-08,1.4910E-08,6.2084E-09,3.0529E-09,2.3129E-09\n\"MGLY\",\"ppmV\",6.5543E-08,6.9104E-08,7.0531E-08,7.1388E-08,7.2070E-08,7.2247E-08,7.1892E-08,7.1634E-08,7.1180E-08,7.0133E-08,6.8545E-08,6.6166E-08,6.3470E-08,6.0029E-08,5.6082E-08,5.4045E-08,5.5183E-08,5.5284E-08,5.5434E-08,5.4075E-08,5.0779E-08,4.7614E-08,4.6746E-08,4.4505E-08,4.1768E-08,3.8478E-08,3.4660E-08,3.0907E-08,2.7385E-08,2.3566E-08,1.9957E-08,1.6790E-08,1.4303E-08,1.2491E-08,1.1234E-08,9.9421E-09,7.8749E-09,5.1087E-09,2.5175E-09,7.1912E-10,1.9477E-10,1.2091E-10,7.4241E-11,5.7995E-11\n\"ETHA\",\"ppmV\",4.5273E-04,4.5276E-04,4.5278E-04,4.5279E-04,4.5275E-04,4.5277E-04,4.5274E-04,4.5282E-04,4.5274E-04,4.5238E-04,4.5151E-04,4.5064E-04,4.4983E-04,4.4867E-04,4.4703E-04,4.4575E-04,4.4375E-04,4.4205E-04,4.3885E-04,4.3378E-04,4.2759E-04,4.2165E-04,4.1847E-04,4.1551E-04,4.1240E-04,4.1147E-04,4.1120E-04,4.0846E-04,4.0334E-04,3.9655E-04,3.8816E-04,3.7870E-04,3.6683E-04,3.5335E-04,3.3863E-04,3.1705E-04,2.8546E-04,2.4669E-04,2.0182E-04,1.5197E-04,1.1759E-04,9.8551E-05,8.3374E-05,7.4954E-05\n\"ETOH\",\"ppmV\",4.8722E-07,5.1485E-07,5.2589E-07,5.3319E-07,5.3964E-07,5.4558E-07,5.5200E-07,5.5969E-07,5.6906E-07,5.8074E-07,5.9479E-07,6.1425E-07,6.4585E-07,6.8946E-07,7.5777E-07,8.3680E-07,9.7426E-07,1.1545E-06,1.3045E-06,1.3898E-06,1.4027E-06,1.3758E-06,1.4129E-06,1.4558E-06,1.5002E-06,1.5477E-06,1.6205E-06,1.7195E-06,1.8406E-06,1.9582E-06,2.0654E-06,2.1625E-06,2.2482E-06,2.2911E-06,2.2691E-06,2.0557E-06,1.5905E-06,9.9904E-07,4.8326E-07,1.3370E-07,3.2239E-08,1.2867E-08,6.2065E-09,2.5082E-09\n\"KET\",\"ppmV\",3.4639E-04,3.5956E-04,3.6621E-04,3.7182E-04,3.7782E-04,3.8459E-04,3.9279E-04,4.0352E-04,4.1438E-04,4.2739E-04,4.4311E-04,4.6282E-04,4.9052E-04,5.2525E-04,5.6666E-04,6.1243E-04,6.6625E-04,7.2184E-04,7.6603E-04,7.9826E-04,8.1512E-04,8.1933E-04,8.3742E-04,8.5581E-04,8.6740E-04,8.8202E-04,9.0044E-04,9.1413E-04,9.2292E-04,9.2331E-04,9.2166E-04,9.1787E-04,9.0927E-04,8.9622E-04,8.7697E-04,8.3161E-04,7.4876E-04,6.2906E-04,4.7096E-04,2.9317E-04,1.8000E-04,1.0176E-04,5.4726E-05,3.7277E-05\n\"PAR\",\"ppmV\",9.5641E-04,9.5644E-04,9.5633E-04,9.5602E-04,9.5527E-04,9.5432E-04,9.5249E-04,9.5051E-04,9.4783E-04,9.4433E-04,9.3847E-04,9.3148E-04,9.2246E-04,9.1296E-04,9.0007E-04,8.8092E-04,8.5773E-04,8.3746E-04,8.1330E-04,7.8045E-04,7.4547E-04,7.1581E-04,7.0284E-04,6.8917E-04,6.7556E-04,6.6516E-04,6.5078E-04,6.3146E-04,6.0945E-04,5.8322E-04,5.5079E-04,5.1608E-04,4.7649E-04,4.3366E-04,3.8868E-04,3.2428E-04,2.2888E-04,1.2731E-04,5.3553E-05,1.1484E-05,2.2589E-06,1.4535E-06,1.2844E-06,3.6223E-07\n\"ACET\",\"ppmV\",5.9294E-05,6.1951E-05,6.3322E-05,6.4493E-05,6.5784E-05,6.7285E-05,6.9167E-05,7.1680E-05,7.4195E-05,7.7191E-05,8.0818E-05,8.5339E-05,9.1828E-05,9.9836E-05,1.0930E-04,1.1959E-04,1.3196E-04,1.4508E-04,1.5581E-04,1.6453E-04,1.7091E-04,1.7498E-04,1.8278E-04,1.9128E-04,1.9838E-04,2.0664E-04,2.1670E-04,2.2514E-04,2.3166E-04,2.3500E-04,2.3747E-04,2.4002E-04,2.4177E-04,2.4221E-04,2.3914E-04,2.2543E-04,1.9717E-04,1.5668E-04,1.0712E-04,5.6297E-05,2.9066E-05,1.3460E-05,5.3988E-06,2.9427E-06\n\"PRPA\",\"ppmV\",5.1565E-05,5.1568E-05,5.1566E-05,5.1560E-05,5.1538E-05,5.1513E-05,5.1457E-05,5.1406E-05,5.1329E-05,5.1215E-05,5.0992E-05,5.0733E-05,5.0409E-05,5.0119E-05,4.9787E-05,4.9368E-05,4.8751E-05,4.8043E-05,4.7214E-05,4.6045E-05,4.4916E-05,4.3945E-05,4.3273E-05,4.2566E-05,4.1826E-05,4.1300E-05,4.0781E-05,4.0028E-05,3.9048E-05,3.7845E-05,3.6441E-05,3.5044E-05,3.3427E-05,3.1694E-05,2.9819E-05,2.6886E-05,2.2314E-05,1.6775E-05,1.1186E-05,6.1216E-06,3.4244E-06,2.1629E-06,1.3612E-06,1.0019E-06\n\"ROR\",\"ppmV\",9.9755E-15,9.6608E-15,9.6023E-15,9.5988E-15,9.6233E-15,9.6718E-15,9.7362E-15,9.8302E-15,9.9623E-15,1.0074E-14,1.0195E-14,1.0289E-14,1.0406E-14,1.0582E-14,1.0771E-14,1.0836E-14,1.0544E-14,1.0308E-14,1.0056E-14,9.7458E-15,8.4849E-15,7.4401E-15,7.0633E-15,6.8700E-15,6.8635E-15,6.9095E-15,7.0986E-15,7.4117E-15,7.8583E-15,8.1062E-15,8.3873E-15,8.9302E-15,9.5166E-15,9.8870E-15,1.0542E-14,1.1147E-14,1.0822E-14,8.7883E-15,5.4259E-15,1.4252E-15,2.2407E-16,1.0942E-16,8.2970E-17,3.3728E-17\n\"ETHY\",\"ppmV\",6.2434E-05,6.2453E-05,6.2461E-05,6.2460E-05,6.2451E-05,6.2447E-05,6.2428E-05,6.2414E-05,6.2388E-05,6.2333E-05,6.2222E-05,6.2076E-05,6.1862E-05,6.1697E-05,6.1513E-05,6.1326E-05,6.0983E-05,6.0649E-05,6.0176E-05,5.9674E-05,5.9351E-05,5.9314E-05,6.0136E-05,6.1027E-05,6.1878E-05,6.3024E-05,6.4178E-05,6.4978E-05,6.5352E-05,6.5086E-05,6.4123E-05,6.2688E-05,6.0619E-05,5.7857E-05,5.4349E-05,4.8474E-05,3.9110E-05,2.7928E-05,1.7322E-05,8.6908E-06,4.8314E-06,3.0786E-06,1.9203E-06,1.4468E-06\n\"ETH\",\"ppmV\",3.1304E-06,3.1314E-06,3.1313E-06,3.1298E-06,3.1259E-06,3.1220E-06,3.1134E-06,3.1048E-06,3.0929E-06,3.0753E-06,3.0494E-06,3.0222E-06,2.9875E-06,2.9608E-06,2.9273E-06,2.8608E-06,2.7911E-06,2.7142E-06,2.6466E-06,2.5404E-06,2.4196E-06,2.3305E-06,2.2942E-06,2.2337E-06,2.1772E-06,2.1276E-06,2.0563E-06,1.9809E-06,1.9214E-06,1.8463E-06,1.7191E-06,1.5821E-06,1.4441E-06,1.3726E-06,1.3586E-06,1.1728E-06,8.1899E-07,3.8379E-07,1.2960E-07,2.7399E-08,6.3414E-09,2.4100E-09,6.6513E-10,1.3819E-10\n\"OLE\",\"ppmV\",1.3507E-07,1.3617E-07,1.3638E-07,1.3467E-07,1.3147E-07,1.2757E-07,1.2185E-07,1.1417E-07,1.0540E-07,9.3006E-08,8.2165E-08,7.1001E-08,5.9084E-08,4.8968E-08,4.0724E-08,3.3170E-08,2.6886E-08,2.2358E-08,1.9156E-08,1.6736E-08,1.5546E-08,1.4759E-08,1.4187E-08,1.4110E-08,1.4251E-08,1.4221E-08,1.4029E-08,1.4072E-08,1.4244E-08,1.4277E-08,1.3422E-08,1.2560E-08,1.1194E-08,9.8566E-09,7.7607E-09,5.1463E-09,3.1249E-09,1.4270E-09,5.0676E-10,1.2992E-10,3.6403E-11,1.2071E-11,2.1104E-12,1.5101E-13\n\"IOLE\",\"ppmV\",7.4453E-09,7.6713E-09,7.7127E-09,7.4729E-09,7.1005E-09,6.6932E-09,6.1497E-09,5.4641E-09,4.7418E-09,3.6794E-09,2.9298E-09,2.2627E-09,1.6360E-09,1.1800E-09,8.8081E-10,6.3538E-10,4.4879E-10,3.0829E-10,2.1227E-10,1.4519E-10,1.1588E-10,1.0036E-10,6.9314E-11,6.1223E-11,6.0537E-11,6.0290E-11,5.8576E-11,5.2957E-11,4.5681E-11,3.8262E-11,2.9664E-11,2.6242E-11,2.6762E-11,2.7995E-11,2.5746E-11,2.1334E-11,1.4424E-11,6.8339E-12,1.7461E-12,1.7764E-13,4.5487E-15,6.8648E-17,5.4028E-19,4.3941E-21\n\"ISOP\",\"ppmV\",9.1418E-09,9.2840E-09,9.3044E-09,9.1110E-09,8.8039E-09,8.4487E-09,7.9488E-09,7.2974E-09,6.5905E-09,5.5584E-09,4.7317E-09,3.9379E-09,3.0998E-09,2.4122E-09,1.8957E-09,1.4565E-09,1.0774E-09,7.7308E-10,5.5522E-10,3.8395E-10,3.0480E-10,2.5526E-10,1.9487E-10,1.7271E-10,1.6447E-10,1.5655E-10,1.4478E-10,1.2441E-10,1.0406E-10,8.5653E-11,6.6314E-11,5.3986E-11,4.5990E-11,3.4865E-11,2.2087E-11,1.2618E-11,5.6683E-12,7.0124E-13,7.6942E-14,1.4948E-15,9.2852E-18,2.4215E-19,9.6917E-21,1.1892E-22\n\"ISO2\",\"ppmV\",7.7054E-11,8.1351E-11,8.2381E-11,7.9994E-11,7.6411E-11,7.2703E-11,6.8109E-11,6.2279E-11,5.6075E-11,4.6102E-11,3.9567E-11,3.3907E-11,2.8327E-11,2.3270E-11,1.9157E-11,1.5330E-11,1.2142E-11,9.1327E-12,7.1524E-12,5.5817E-12,4.5314E-12,3.9486E-12,3.2799E-12,3.0306E-12,2.9691E-12,2.8586E-12,2.7011E-12,2.3897E-12,2.0259E-12,1.7268E-12,1.3887E-12,1.1722E-12,9.7059E-13,7.3438E-13,4.6475E-13,2.5672E-13,8.4041E-14,1.2214E-14,1.7074E-15,2.9028E-17,3.5638E-19,3.4964E-20,4.4740E-21,1.5333E-22\n\"ISPD\",\"ppmV\",4.6044E-09,4.6923E-09,4.7455E-09,4.7603E-09,4.7172E-09,4.6392E-09,4.4986E-09,4.2858E-09,4.0262E-09,3.6721E-09,3.3030E-09,2.8820E-09,2.4150E-09,2.0072E-09,1.6594E-09,1.3286E-09,1.0418E-09,8.1901E-10,6.7493E-10,5.5922E-10,5.0453E-10,4.9685E-10,4.7627E-10,4.7088E-10,4.7665E-10,4.6899E-10,4.4997E-10,4.5243E-10,4.8254E-10,5.2227E-10,5.5164E-10,5.6337E-10,5.1480E-10,4.1888E-10,2.7006E-10,1.3764E-10,6.4737E-11,1.6194E-11,2.7086E-12,1.8953E-13,9.8441E-15,6.1587E-16,3.7819E-17,1.0508E-18\n\"INTR\",\"ppmV\",2.7506E-10,2.9033E-10,2.9871E-10,3.0270E-10,3.0290E-10,3.0009E-10,2.9318E-10,2.8062E-10,2.6635E-10,2.4683E-10,2.2628E-10,2.0354E-10,1.8059E-10,1.6167E-10,1.4940E-10,1.4521E-10,1.5614E-10,1.7642E-10,2.0359E-10,2.2746E-10,2.5286E-10,2.8237E-10,3.2470E-10,3.5464E-10,4.0451E-10,4.6742E-10,5.4323E-10,7.0015E-10,9.4135E-10,1.1905E-09,1.3764E-09,1.4305E-09,1.3366E-09,1.2991E-09,1.1291E-09,7.4985E-10,4.3985E-10,1.8133E-10,5.5652E-11,8.4263E-12,1.3829E-12,4.7345E-13,5.0144E-14,7.1634E-15\n\"ISPX\",\"ppmV\",5.5691E-10,5.8722E-10,6.0062E-10,6.0673E-10,6.0794E-10,6.0535E-10,5.9648E-10,5.7897E-10,5.5141E-10,5.0415E-10,4.6138E-10,4.1473E-10,3.6036E-10,3.0865E-10,2.6101E-10,2.1274E-10,1.7163E-10,1.3703E-10,1.1303E-10,9.3595E-11,8.3424E-11,7.8245E-11,6.9949E-11,6.4226E-11,6.0844E-11,5.7686E-11,5.4879E-11,5.4419E-11,5.7355E-11,5.9587E-11,5.7654E-11,5.2075E-11,4.0308E-11,2.9092E-11,1.7938E-11,8.6712E-12,3.2807E-12,6.9349E-13,6.5239E-14,2.0577E-15,1.1058E-16,9.8946E-18,1.1949E-18,3.3213E-20\n\"HPLD\",\"ppmV\",6.3291E-10,6.3173E-10,6.2913E-10,6.2050E-10,6.0482E-10,5.8559E-10,5.5718E-10,5.2178E-10,4.8105E-10,4.2460E-10,3.6702E-10,3.0435E-10,2.3476E-10,1.7660E-10,1.3177E-10,9.4717E-11,6.7504E-11,4.5806E-11,3.1617E-11,2.1976E-11,1.6659E-11,1.3005E-11,8.5393E-12,6.6440E-12,5.9105E-12,5.3785E-12,4.8203E-12,4.1155E-12,3.4898E-12,2.9484E-12,2.3943E-12,1.9589E-12,1.6407E-12,1.3069E-12,8.9754E-13,5.3940E-13,2.6705E-13,3.7487E-14,6.3555E-15,1.3388E-16,2.0972E-19,3.6990E-22,1.5112E-23,1.4262E-24\n\"OPO3\",\"ppmV\",1.3702E-09,1.3599E-09,1.3447E-09,1.3303E-09,1.3152E-09,1.2979E-09,1.2803E-09,1.2666E-09,1.2560E-09,1.2729E-09,1.2799E-09,1.2794E-09,1.2783E-09,1.2907E-09,1.3052E-09,1.3132E-09,1.3081E-09,1.2993E-09,1.2868E-09,1.2690E-09,1.2290E-09,1.1977E-09,1.1919E-09,1.1822E-09,1.1723E-09,1.1653E-09,1.1534E-09,1.1196E-09,1.0751E-09,1.0280E-09,9.7022E-10,9.1805E-10,8.5229E-10,7.8607E-10,7.3236E-10,6.7945E-10,5.8720E-10,4.5443E-10,2.8946E-10,1.2023E-10,5.0018E-11,2.7814E-11,1.6304E-11,1.2478E-11\n\"EPOX\",\"ppmV\",1.5693E-09,1.6503E-09,1.6888E-09,1.7153E-09,1.7384E-09,1.7570E-09,1.7692E-09,1.7687E-09,1.7450E-09,1.6960E-09,1.6475E-09,1.5948E-09,1.5307E-09,1.4893E-09,1.5926E-09,1.8993E-09,2.2302E-09,2.6838E-09,3.1105E-09,3.5616E-09,4.0628E-09,4.3515E-09,4.5626E-09,5.2680E-09,6.7734E-09,9.3110E-09,1.3313E-08,1.9352E-08,2.9085E-08,4.3823E-08,6.7936E-08,9.5052E-08,1.2353E-07,1.5198E-07,1.6087E-07,1.4801E-07,1.1768E-07,8.1130E-08,4.0555E-08,9.1618E-09,8.6016E-10,1.8794E-10,3.6051E-11,7.2731E-12\n\"EPX2\",\"ppmV\",7.8408E-12,8.0388E-12,8.1716E-12,8.3215E-12,8.4753E-12,8.6119E-12,8.7452E-12,8.8393E-12,8.8634E-12,8.7626E-12,8.5681E-12,8.2575E-12,7.7820E-12,7.4422E-12,7.9151E-12,9.4751E-12,1.0611E-11,1.1106E-11,1.0843E-11,1.1881E-11,1.3995E-11,1.5076E-11,1.6148E-11,1.8192E-11,2.2316E-11,3.1490E-11,4.6974E-11,6.5761E-11,9.3157E-11,1.3682E-10,2.2066E-10,3.0977E-10,3.7462E-10,4.1589E-10,3.9398E-10,3.3117E-10,2.3297E-10,1.5288E-10,8.2211E-11,1.9327E-11,1.6743E-12,6.3710E-13,1.6287E-13,5.6612E-14\n\"TERP\",\"ppmV\",3.5782E-15,3.5974E-15,3.6134E-15,3.6290E-15,3.6454E-15,3.6628E-15,3.6820E-15,3.7038E-15,3.7309E-15,3.7646E-15,3.8068E-15,3.8607E-15,3.9315E-15,4.0307E-15,4.1648E-15,4.3665E-15,4.7005E-15,5.3148E-15,6.3965E-15,8.4697E-15,1.2544E-14,1.7725E-14,1.9743E-14,2.1044E-14,1.9209E-14,1.7473E-14,1.9743E-14,3.2192E-14,6.1332E-14,1.1026E-13,1.6284E-13,1.9340E-13,1.9921E-13,1.9435E-13,2.8065E-13,3.4074E-13,1.2451E-13,1.3184E-14,1.5236E-15,5.7238E-17,2.7476E-19,1.8826E-21,1.2677E-23,1.0009E-24\n\"APIN\",\"ppmV\",3.9026E-20,3.8953E-20,3.9086E-20,3.9232E-20,3.9270E-20,3.9423E-20,3.9454E-20,3.9667E-20,3.9902E-20,4.0193E-20,4.0811E-20,4.1567E-20,4.2677E-20,4.4227E-20,4.6391E-20,4.9904E-20,5.6712E-20,7.7722E-20,1.0133E-19,2.8146E-19,6.3849E-19,8.8484E-19,1.2072E-18,1.9654E-18,3.3731E-18,5.4756E-18,8.0760E-18,1.0913E-17,1.2848E-17,1.3790E-17,1.0977E-17,3.8723E-18,8.1160E-19,4.9883E-20,4.6747E-21,2.7767E-21,1.6492E-21,2.9267E-22,5.3200E-23,1.9798E-24,9.6010E-25,9.6215E-25,9.5566E-25,9.4299E-25\n\"TERPNRO2\",\"ppmV\",1.8295E-15,1.8487E-15,1.8735E-15,1.9037E-15,1.9352E-15,1.9677E-15,2.0021E-15,2.0401E-15,2.0842E-15,2.1355E-15,2.1927E-15,2.2579E-15,2.3346E-15,2.4269E-15,2.5441E-15,2.7070E-15,2.9629E-15,3.3726E-15,4.2001E-15,5.7412E-15,6.7527E-15,1.0175E-14,7.2511E-15,4.5980E-15,3.1448E-15,2.7306E-15,2.5646E-15,1.7349E-15,1.7567E-15,2.9812E-15,6.3705E-15,1.1652E-14,1.4557E-14,1.4631E-14,1.3346E-14,1.4095E-14,4.3736E-15,3.1628E-16,1.1040E-17,6.6869E-19,1.7275E-20,9.6153E-22,2.3615E-23,9.2240E-25\n\"MTNO3\",\"ppmV\",2.2564E-10,2.3605E-10,2.4005E-10,2.4254E-10,2.4523E-10,2.4708E-10,2.4888E-10,2.5065E-10,2.5228E-10,2.5393E-10,2.5662E-10,2.6255E-10,2.7198E-10,2.7985E-10,2.9087E-10,2.8164E-10,2.6404E-10,2.5491E-10,2.5818E-10,2.5486E-10,2.6839E-10,2.8342E-10,2.9815E-10,3.2452E-10,3.5083E-10,3.6209E-10,3.4989E-10,3.4086E-10,3.4747E-10,3.8298E-10,4.3369E-10,4.4921E-10,4.2961E-10,4.2096E-10,3.8760E-10,2.6470E-10,1.0409E-10,2.2474E-11,2.6153E-12,1.8936E-13,3.2469E-15,4.6115E-17,8.8352E-19,2.4908E-20\n\"BENZENE\",\"ppmV\",2.1639E-05,2.1661E-05,2.1670E-05,2.1675E-05,2.1676E-05,2.1678E-05,2.1671E-05,2.1669E-05,2.1665E-05,2.1651E-05,2.1615E-05,2.1564E-05,2.1461E-05,2.1403E-05,2.1321E-05,2.1248E-05,2.1096E-05,2.0955E-05,2.0808E-05,2.0610E-05,2.0487E-05,2.0467E-05,2.0834E-05,2.1161E-05,2.1455E-05,2.1857E-05,2.2141E-05,2.2221E-05,2.2140E-05,2.1842E-05,2.1212E-05,2.0434E-05,1.9444E-05,1.8252E-05,1.6904E-05,1.4755E-05,1.1370E-05,7.4831E-06,4.1327E-06,1.6811E-06,7.7080E-07,4.4100E-07,2.3587E-07,1.5503E-07\n\"CRES\",\"ppmV\",1.1148E-07,1.1803E-07,1.2083E-07,1.2270E-07,1.2427E-07,1.2567E-07,1.2695E-07,1.2838E-07,1.3003E-07,1.3244E-07,1.3498E-07,1.3799E-07,1.4116E-07,1.4460E-07,1.4791E-07,1.5098E-07,1.5074E-07,1.4971E-07,1.4621E-07,1.4229E-07,1.3920E-07,1.4208E-07,1.5063E-07,1.6114E-07,1.7345E-07,1.8981E-07,2.0680E-07,2.2137E-07,2.3150E-07,2.3708E-07,2.3543E-07,2.2794E-07,2.1442E-07,1.9502E-07,1.6837E-07,1.3123E-07,8.5752E-08,4.4980E-08,1.9027E-08,6.2625E-09,2.5301E-09,1.2349E-09,6.2959E-10,4.4094E-10\n\"BZO2\",\"ppmV\",1.2990E-09,1.2773E-09,1.2712E-09,1.2730E-09,1.2768E-09,1.2816E-09,1.2880E-09,1.2972E-09,1.3096E-09,1.3314E-09,1.3459E-09,1.3583E-09,1.3682E-09,1.3789E-09,1.3909E-09,1.3984E-09,1.3801E-09,1.3673E-09,1.3439E-09,1.2797E-09,1.1946E-09,1.1135E-09,1.0829E-09,1.0673E-09,1.0583E-09,1.0554E-09,1.0548E-09,1.0412E-09,1.0176E-09,9.7314E-10,9.1491E-10,8.5099E-10,7.7273E-10,6.9247E-10,6.1985E-10,5.4764E-10,4.5381E-10,3.3488E-10,2.1327E-10,9.9005E-11,5.0656E-11,3.8026E-11,2.8374E-11,2.3809E-11\n\"OPEN\",\"ppmV\",5.0198E-08,5.1171E-08,5.1573E-08,5.1759E-08,5.1762E-08,5.1708E-08,5.1456E-08,5.1123E-08,5.0681E-08,4.9998E-08,4.9141E-08,4.8197E-08,4.7164E-08,4.6092E-08,4.4591E-08,4.2654E-08,4.0027E-08,3.7598E-08,3.5092E-08,3.2478E-08,3.0143E-08,2.9021E-08,2.9033E-08,2.9313E-08,2.9825E-08,3.0639E-08,3.1095E-08,3.1151E-08,3.1005E-08,3.0523E-08,2.9762E-08,2.9278E-08,2.8644E-08,2.7862E-08,2.7465E-08,2.6696E-08,2.3987E-08,1.8419E-08,1.1318E-08,4.3206E-09,1.5270E-09,5.6480E-10,2.0578E-10,1.1792E-10\n\"BENZRO2\",\"ppmV\",4.1095E-09,3.9854E-09,3.9563E-09,3.9740E-09,4.0042E-09,4.0381E-09,4.0840E-09,4.1498E-09,4.2388E-09,4.4133E-09,4.5202E-09,4.5871E-09,4.6280E-09,4.6812E-09,4.7370E-09,4.7842E-09,4.7595E-09,4.7513E-09,4.6967E-09,4.4452E-09,4.0602E-09,3.7019E-09,3.5495E-09,3.4440E-09,3.3645E-09,3.3035E-09,3.2429E-09,3.1465E-09,3.0286E-09,2.8655E-09,2.6789E-09,2.4882E-09,2.2600E-09,2.0258E-09,1.8087E-09,1.5925E-09,1.3133E-09,9.6532E-10,6.1393E-10,2.8593E-10,1.4640E-10,1.1028E-10,8.2636E-11,6.9453E-11\n\"TOL\",\"ppmV\",4.0143E-06,4.0188E-06,4.0199E-06,4.0177E-06,4.0113E-06,4.0036E-06,3.9889E-06,3.9715E-06,3.9498E-06,3.9187E-06,3.8781E-06,3.8321E-06,3.7729E-06,3.7261E-06,3.6711E-06,3.5887E-06,3.4927E-06,3.4105E-06,3.3439E-06,3.2242E-06,3.0973E-06,3.0246E-06,3.0394E-06,3.0054E-06,2.9682E-06,2.9208E-06,2.8120E-06,2.6884E-06,2.5836E-06,2.4492E-06,2.2258E-06,1.9783E-06,1.7564E-06,1.5862E-06,1.4208E-06,1.1355E-06,7.4072E-07,3.3167E-07,1.0237E-07,1.6490E-08,1.9390E-09,4.7967E-10,1.3394E-10,3.7785E-11\n\"TO2\",\"ppmV\",2.1449E-09,2.1023E-09,2.0918E-09,2.0938E-09,2.0983E-09,2.1037E-09,2.1099E-09,2.1183E-09,2.1310E-09,2.1479E-09,2.1551E-09,2.1545E-09,2.1502E-09,2.1641E-09,2.2011E-09,2.1834E-09,2.1200E-09,2.0739E-09,2.0788E-09,2.0016E-09,1.7689E-09,1.5660E-09,1.4343E-09,1.3526E-09,1.3119E-09,1.2851E-09,1.2488E-09,1.2025E-09,1.1644E-09,1.1074E-09,1.0199E-09,9.2104E-10,7.9818E-10,6.9034E-10,5.8741E-10,4.7096E-10,3.2223E-10,1.8121E-10,7.9329E-11,1.7891E-11,2.4633E-12,7.4111E-13,2.9573E-13,1.0048E-13\n\"TOLRO2\",\"ppmV\",3.7347E-09,3.6116E-09,3.5851E-09,3.6017E-09,3.6285E-09,3.6582E-09,3.6969E-09,3.7498E-09,3.8270E-09,3.9559E-09,4.0346E-09,4.0664E-09,4.0677E-09,4.1293E-09,4.2301E-09,4.2141E-09,4.1728E-09,4.1398E-09,4.2118E-09,4.0697E-09,3.4594E-09,2.8885E-09,2.5658E-09,2.3626E-09,2.2538E-09,2.1705E-09,2.0654E-09,1.9584E-09,1.8765E-09,1.7719E-09,1.6219E-09,1.4642E-09,1.2703E-09,1.0994E-09,9.3143E-10,7.4417E-10,5.0656E-10,2.8358E-10,1.2356E-10,2.7884E-11,3.8681E-12,1.1694E-12,4.6894E-13,1.5992E-13\n\"XOPN\",\"ppmV\",7.5323E-09,7.7965E-09,7.9008E-09,7.9276E-09,7.8896E-09,7.8259E-09,7.6980E-09,7.5330E-09,7.3407E-09,7.0608E-09,6.7341E-09,6.3757E-09,6.0124E-09,5.6868E-09,5.3511E-09,4.9279E-09,4.4775E-09,4.0593E-09,3.7343E-09,3.3519E-09,2.9390E-09,2.6880E-09,2.5767E-09,2.4994E-09,2.4459E-09,2.3864E-09,2.2702E-09,2.1214E-09,1.9692E-09,1.7937E-09,1.5830E-09,1.4386E-09,1.3290E-09,1.2369E-09,1.1681E-09,1.0710E-09,8.8028E-10,5.3994E-10,2.3570E-10,4.9621E-11,4.5117E-12,7.7940E-13,1.4545E-13,2.3089E-14\n\"XYLMN\",\"ppmV\",4.1078E-07,4.1226E-07,4.1260E-07,4.1083E-07,4.0714E-07,4.0260E-07,3.9548E-07,3.8604E-07,3.7482E-07,3.5900E-07,3.4331E-07,3.2670E-07,3.0797E-07,2.9178E-07,2.7651E-07,2.5833E-07,2.4283E-07,2.3178E-07,2.2148E-07,2.0529E-07,1.8825E-07,1.7578E-07,1.7229E-07,1.6690E-07,1.6169E-07,1.5463E-07,1.4456E-07,1.3350E-07,1.2273E-07,1.1017E-07,9.2034E-08,7.5546E-08,6.2239E-08,5.2061E-08,4.2655E-08,3.1959E-08,2.0530E-08,8.7831E-09,2.5701E-09,4.3133E-10,7.2709E-11,2.5204E-11,6.4000E-12,9.6147E-13\n\"XLO2\",\"ppmV\",5.6476E-10,5.5626E-10,5.5296E-10,5.5018E-10,5.4578E-10,5.4038E-10,5.3262E-10,5.2220E-10,5.1026E-10,4.9171E-10,4.7233E-10,4.5031E-10,4.2615E-10,4.0624E-10,3.9154E-10,3.6724E-10,3.4119E-10,3.2046E-10,3.1316E-10,2.9554E-10,2.5629E-10,2.1612E-10,1.8144E-10,1.6172E-10,1.5279E-10,1.4469E-10,1.3431E-10,1.2207E-10,1.1071E-10,9.9326E-11,8.5215E-11,7.1842E-11,5.6755E-11,4.4688E-11,3.4557E-11,2.5234E-11,1.5843E-11,8.1081E-12,3.3345E-12,7.8445E-13,1.7002E-13,7.9320E-14,2.6838E-14,4.8018E-15\n\"XYLRO2\",\"ppmV\",1.1224E-09,1.0923E-09,1.0835E-09,1.0811E-09,1.0769E-09,1.0709E-09,1.0621E-09,1.0504E-09,1.0387E-09,1.0240E-09,9.9804E-10,9.6039E-10,9.1294E-10,8.7942E-10,8.5538E-10,8.0617E-10,7.6511E-10,7.3397E-10,7.3392E-10,7.0048E-10,5.8526E-10,4.5870E-10,3.6938E-10,3.2041E-10,2.9781E-10,2.7702E-10,2.5172E-10,2.2583E-10,2.0345E-10,1.8175E-10,1.5434E-10,1.3002E-10,1.0279E-10,8.0931E-11,6.2313E-11,4.5509E-11,2.8496E-11,1.4504E-11,5.8928E-12,1.3555E-12,2.7871E-13,1.2679E-13,4.2756E-14,7.6821E-15\n\"NAPH\",\"ppmV\",9.7854E-09,9.7964E-09,9.7994E-09,9.7998E-09,9.7964E-09,9.7934E-09,9.7764E-09,9.7643E-09,9.7365E-09,9.6884E-09,9.5961E-09,9.5076E-09,9.3918E-09,9.3102E-09,9.1861E-09,8.9043E-09,8.6539E-09,8.4687E-09,8.2724E-09,7.8737E-09,7.4603E-09,7.1210E-09,7.0917E-09,6.9592E-09,6.8716E-09,6.7586E-09,6.5358E-09,6.2324E-09,5.9003E-09,5.4492E-09,4.6539E-09,3.8342E-09,3.1271E-09,2.6652E-09,2.0369E-09,1.2671E-09,7.1805E-10,3.1490E-10,1.1222E-10,3.0882E-11,1.0629E-11,4.6443E-12,1.2151E-12,1.7927E-13\n\"PAHRO2\",\"ppmV\",2.5167E-11,2.4370E-11,2.4181E-11,2.4260E-11,2.4401E-11,2.4559E-11,2.4753E-11,2.5041E-11,2.5417E-11,2.6031E-11,2.6347E-11,2.6534E-11,2.6625E-11,2.7030E-11,2.7604E-11,2.7206E-11,2.6798E-11,2.6587E-11,2.7424E-11,2.6974E-11,2.3101E-11,1.8411E-11,1.4969E-11,1.3052E-11,1.2360E-11,1.1804E-11,1.1086E-11,1.0271E-11,9.5636E-12,8.8176E-12,7.6874E-12,6.5311E-12,5.1954E-12,4.1666E-12,3.1622E-12,2.1716E-12,1.3076E-12,6.9219E-13,3.2314E-13,1.0662E-13,4.0159E-14,2.3056E-14,8.1267E-15,1.4301E-15\n\"CRO\",\"ppmV\",4.6783E-09,4.9392E-09,5.0792E-09,5.2207E-09,5.3717E-09,5.5297E-09,5.7197E-09,5.9663E-09,6.2958E-09,6.9760E-09,7.6212E-09,8.2702E-09,9.0857E-09,1.0130E-08,1.1292E-08,1.2446E-08,1.3319E-08,1.4056E-08,1.4750E-08,1.5663E-08,1.5834E-08,1.6007E-08,1.6554E-08,1.7082E-08,1.7816E-08,1.8389E-08,1.8623E-08,1.8640E-08,1.8407E-08,1.8356E-08,1.8784E-08,1.9258E-08,1.8907E-08,1.7801E-08,1.6363E-08,1.4753E-08,1.2798E-08,1.0254E-08,6.8648E-09,3.0215E-09,1.0919E-09,4.4629E-10,2.9106E-10,2.8947E-10\n\"CAT1\",\"ppmV\",2.8957E-08,3.0740E-08,3.1560E-08,3.2162E-08,3.2734E-08,3.3299E-08,3.3911E-08,3.4616E-08,3.5471E-08,3.6624E-08,3.7772E-08,3.9079E-08,4.0503E-08,4.2222E-08,4.4598E-08,4.7083E-08,4.7757E-08,4.8290E-08,4.7449E-08,4.5971E-08,4.4902E-08,4.4872E-08,4.6731E-08,4.9570E-08,5.3216E-08,5.9530E-08,6.8178E-08,7.9080E-08,9.0517E-08,1.0180E-07,1.1539E-07,1.3254E-07,1.5229E-07,1.6618E-07,1.6927E-07,1.5514E-07,1.1835E-07,6.8368E-08,2.8876E-08,8.4053E-09,2.8231E-09,1.1102E-09,5.3852E-10,3.9799E-10\n\"CRON\",\"ppmV\",2.3456E-07,2.4389E-07,2.4825E-07,2.5137E-07,2.5398E-07,2.5649E-07,2.5856E-07,2.6074E-07,2.6287E-07,2.6464E-07,2.6673E-07,2.6936E-07,2.7186E-07,2.7587E-07,2.7850E-07,2.7961E-07,2.7898E-07,2.7997E-07,2.8314E-07,3.0063E-07,3.3353E-07,3.8331E-07,4.4323E-07,5.0549E-07,5.8330E-07,6.7980E-07,7.8429E-07,8.8411E-07,9.8674E-07,1.0966E-06,1.2039E-06,1.2993E-06,1.3480E-06,1.3515E-06,1.3435E-06,1.2993E-06,1.1575E-06,9.3285E-07,6.1411E-07,2.5806E-07,9.7364E-08,3.8145E-08,1.3380E-08,7.4802E-09\n\"OPAN\",\"ppmV\",3.0720E-07,3.0909E-07,3.0997E-07,3.1056E-07,3.1083E-07,3.1089E-07,3.1056E-07,3.0982E-07,3.0827E-07,3.0544E-07,3.0147E-07,2.9677E-07,2.9112E-07,2.8579E-07,2.7922E-07,2.7166E-07,2.6486E-07,2.6134E-07,2.5869E-07,2.5283E-07,2.4452E-07,2.3774E-07,2.3497E-07,2.2854E-07,2.1933E-07,2.0808E-07,1.9242E-07,1.7534E-07,1.5864E-07,1.3973E-07,1.1759E-07,9.7539E-08,8.0529E-08,6.8583E-08,5.9623E-08,4.9215E-08,3.6267E-08,2.3406E-08,1.3643E-08,6.0999E-09,3.0013E-09,2.0234E-09,1.0729E-09,5.9211E-10\n\"ECH4\",\"ppmV\",2.2647E-02,2.2647E-02,2.2646E-02,2.2645E-02,2.2642E-02,2.2639E-02,2.2631E-02,2.2619E-02,2.2601E-02,2.2569E-02,2.2512E-02,2.2436E-02,2.2350E-02,2.2234E-02,2.2087E-02,2.1929E-02,2.1727E-02,2.1524E-02,2.1256E-02,2.0886E-02,2.0440E-02,1.9999E-02,1.9576E-02,1.9161E-02,1.8755E-02,1.8448E-02,1.8155E-02,1.7773E-02,1.7390E-02,1.7012E-02,1.6590E-02,1.6142E-02,1.5645E-02,1.5144E-02,1.4597E-02,1.3898E-02,1.2998E-02,1.1924E-02,1.0712E-02,9.3659E-03,8.3465E-03,7.6810E-03,7.0105E-03,6.5811E-03\n\"CL2\",\"ppmV\",3.1869E-06,2.6690E-06,2.4111E-06,2.2174E-06,2.0494E-06,1.9077E-06,1.7601E-06,1.6090E-06,1.4824E-06,1.3401E-06,1.1862E-06,1.0101E-06,7.9042E-07,6.0288E-07,4.6536E-07,3.4800E-07,2.4776E-07,1.7224E-07,1.2009E-07,8.0288E-08,6.2260E-08,5.0659E-08,3.2996E-08,2.6741E-08,2.4951E-08,2.3757E-08,2.2099E-08,1.8786E-08,1.5595E-08,1.2596E-08,9.7914E-09,8.0500E-09,7.1319E-09,6.1466E-09,4.4600E-09,2.6388E-09,1.2993E-09,1.2031E-10,1.0906E-11,2.5055E-12,7.5385E-12,8.8371E-11,7.6581E-10,2.4222E-09\n\"CL\",\"ppmV\",1.8879E-10,1.3994E-10,1.2375E-10,1.1573E-10,1.1108E-10,1.0918E-10,1.0904E-10,1.0839E-10,1.0944E-10,1.0869E-10,1.0593E-10,1.0347E-10,9.2383E-11,9.0897E-11,9.4858E-11,9.1729E-11,7.8587E-11,6.9332E-11,6.3210E-11,6.0769E-11,4.8333E-11,4.1520E-11,3.7609E-11,3.2199E-11,3.1548E-11,3.1505E-11,3.2244E-11,3.3266E-11,3.4629E-11,3.6492E-11,4.1166E-11,4.6203E-11,4.7336E-11,4.9095E-11,5.6259E-11,7.1894E-11,9.8957E-11,1.4927E-10,2.2194E-10,3.1244E-10,3.6211E-10,3.0576E-10,3.1661E-10,3.0577E-10\n\"HOCL\",\"ppmV\",4.4651E-06,4.7205E-06,4.8483E-06,4.9474E-06,5.0306E-06,5.0809E-06,5.1339E-06,5.1668E-06,5.2049E-06,5.2394E-06,5.2308E-06,5.1157E-06,4.8895E-06,4.6915E-06,4.4885E-06,4.1103E-06,3.5687E-06,2.9764E-06,2.4288E-06,1.9993E-06,1.5876E-06,1.3353E-06,1.1644E-06,1.0395E-06,9.6279E-07,9.0358E-07,8.6708E-07,8.2160E-07,7.8295E-07,7.5413E-07,7.3288E-07,6.7680E-07,5.7070E-07,4.5300E-07,3.6765E-07,3.1978E-07,3.1465E-07,3.5993E-07,4.2359E-07,4.5842E-07,5.5044E-07,1.1805E-06,3.3019E-06,6.8609E-06\n\"CLO\",\"ppmV\",1.3309E-07,1.0486E-07,9.5763E-08,9.1856E-08,9.0397E-08,9.0868E-08,9.3592E-08,9.6830E-08,1.0312E-07,1.1168E-07,1.2074E-07,1.2646E-07,1.2753E-07,1.3491E-07,1.4747E-07,1.4820E-07,1.3360E-07,1.2244E-07,1.1047E-07,9.7094E-08,7.3611E-08,6.1089E-08,5.6297E-08,5.0129E-08,5.0138E-08,5.0825E-08,5.3558E-08,5.6797E-08,6.0329E-08,6.4222E-08,7.0800E-08,7.5510E-08,7.1365E-08,6.2602E-08,5.8092E-08,5.9186E-08,6.7309E-08,8.9866E-08,1.2591E-07,1.7781E-07,2.8112E-07,7.3161E-07,2.2532E-06,4.7060E-06\n\"FMCL\",\"ppmV\",4.9518E-06,4.9822E-06,4.9977E-06,5.0108E-06,5.0231E-06,5.0362E-06,5.0496E-06,5.0663E-06,5.0827E-06,5.0994E-06,5.1155E-06,5.1308E-06,5.1442E-06,5.1726E-06,5.2121E-06,5.2594E-06,5.2874E-06,5.2969E-06,5.2990E-06,5.2691E-06,5.2225E-06,5.1943E-06,5.2231E-06,5.2352E-06,5.2275E-06,5.2338E-06,5.2207E-06,5.1832E-06,5.1164E-06,4.9979E-06,4.8227E-06,4.6207E-06,4.3820E-06,4.1079E-06,3.7844E-06,3.3238E-06,2.6627E-06,1.9352E-06,1.2326E-06,6.4369E-07,3.6508E-07,2.2628E-07,1.3214E-07,9.1555E-08\n\"HCL\",\"ppmV\",1.4022E-04,1.4023E-04,1.3866E-04,1.3698E-04,1.3489E-04,1.3167E-04,1.2771E-04,1.2261E-04,1.1672E-04,1.1032E-04,1.0260E-04,9.4066E-05,8.6635E-05,8.2194E-05,8.1235E-05,7.8323E-05,7.5962E-05,8.1387E-05,8.5580E-05,8.5101E-05,8.1711E-05,7.6217E-05,7.2697E-05,6.6763E-05,6.2136E-05,5.8454E-05,5.6510E-05,5.5905E-05,5.5845E-05,5.6446E-05,5.9680E-05,6.3374E-05,6.1279E-05,5.8678E-05,5.7950E-05,6.2424E-05,6.7156E-05,7.7019E-05,9.0006E-05,1.0214E-04,1.0779E-04,1.0656E-04,9.4969E-05,8.1044E-05\n\"CLNO2\",\"ppmV\",1.3241E-06,1.3231E-06,1.3245E-06,1.3268E-06,1.3150E-06,1.2905E-06,1.2578E-06,1.2108E-06,1.1519E-06,1.0737E-06,9.9242E-07,8.9863E-07,7.9957E-07,6.8700E-07,5.7043E-07,4.5577E-07,3.6227E-07,2.8303E-07,2.1084E-07,1.5638E-07,1.3036E-07,1.1206E-07,1.0460E-07,1.0050E-07,9.5333E-08,8.9375E-08,8.4853E-08,7.8632E-08,7.0633E-08,6.0256E-08,4.7360E-08,3.6481E-08,3.0080E-08,2.4589E-08,1.7678E-08,1.1138E-08,5.8761E-09,1.4134E-09,1.7651E-10,5.6117E-12,2.1475E-14,1.5516E-16,2.4356E-18,4.1970E-20\n\"CLNO3\",\"ppmV\",1.6853E-06,1.7214E-06,1.7223E-06,1.7136E-06,1.6939E-06,1.6703E-06,1.6442E-06,1.6096E-06,1.5724E-06,1.5123E-06,1.4377E-06,1.3293E-06,1.2026E-06,1.0975E-06,1.0139E-06,8.8673E-07,7.8831E-07,7.3124E-07,7.0893E-07,6.7717E-07,6.1128E-07,5.6427E-07,5.3451E-07,5.0371E-07,4.7620E-07,4.4648E-07,4.3198E-07,4.1655E-07,3.9784E-07,3.8698E-07,4.0063E-07,4.0635E-07,3.8145E-07,3.5213E-07,3.5986E-07,4.1350E-07,5.4504E-07,7.7835E-07,1.0903E-06,1.3920E-06,1.9768E-06,4.4217E-06,9.9117E-06,1.3751E-05\n\"SESQ\",\"ppmV\",1.0320E-21,1.0533E-21,1.0578E-21,1.0517E-21,1.0201E-21,9.7991E-22,9.3841E-22,8.9658E-22,8.6262E-22,8.5679E-22,8.7055E-22,8.8382E-22,9.0484E-22,9.3503E-22,9.6012E-22,9.7255E-22,9.6924E-22,9.6719E-22,9.6047E-22,9.4813E-22,9.7896E-22,1.0029E-21,7.6966E-22,7.7054E-22,8.2178E-22,8.7781E-22,9.0639E-22,8.8357E-22,7.7390E-22,6.4207E-22,4.0814E-22,3.2223E-22,2.6952E-22,2.2684E-22,1.8060E-22,1.5272E-22,9.2037E-23,7.7620E-25,1.0375E-25,1.0223E-25,6.1657E-26,4.0638E-27,9.1831E-30,1.0108E-30\n\"SOAALK\",\"ppmV\",3.2485E-06,3.2510E-06,3.2507E-06,3.2445E-06,3.2315E-06,3.2162E-06,3.1902E-06,3.1578E-06,3.1169E-06,3.0587E-06,2.9881E-06,2.9126E-06,2.8218E-06,2.7395E-06,2.6437E-06,2.4979E-06,2.3501E-06,2.2050E-06,2.0673E-06,1.8713E-06,1.6997E-06,1.5557E-06,1.4515E-06,1.3524E-06,1.2545E-06,1.1470E-06,1.0319E-06,9.1039E-07,7.9308E-07,6.6609E-07,5.2391E-07,4.0596E-07,3.1617E-07,2.5752E-07,2.1149E-07,1.5376E-07,9.0797E-08,3.5893E-08,1.0286E-08,2.1390E-09,6.0387E-10,2.3553E-10,6.0793E-11,1.0405E-11\n\"H2NO3PIJ\",\"ppmV\",3.2085E-20,3.2167E-20,3.3367E-20,3.5356E-20,3.6278E-20,3.6739E-20,3.6532E-20,3.5382E-20,3.3620E-20,3.1241E-20,2.8783E-20,2.5754E-20,2.2872E-20,1.9190E-20,1.5902E-20,1.3470E-20,1.1578E-20,8.7571E-21,7.3576E-21,6.7552E-21,6.5149E-21,5.7835E-21,5.2187E-21,4.9782E-21,4.8314E-21,5.2882E-21,5.7073E-21,5.7736E-21,5.9748E-21,5.9627E-21,5.4498E-21,4.7011E-21,4.2830E-21,4.4086E-21,5.1929E-21,6.1301E-21,7.5898E-21,8.4409E-21,6.5663E-21,3.5674E-21,1.2490E-21,7.1590E-22,4.4913E-22,2.7078E-22\n\"H2NO3PK\",\"ppmV\",2.3783E-20,2.3959E-20,2.4669E-20,2.5768E-20,2.6314E-20,2.6573E-20,2.6461E-20,2.5782E-20,2.4850E-20,2.3331E-20,2.1736E-20,1.9730E-20,1.7571E-20,1.4570E-20,1.1548E-20,9.2888E-21,7.4035E-21,5.6651E-21,4.3709E-21,3.6553E-21,3.4004E-21,3.2268E-21,3.1889E-21,3.2227E-21,3.2363E-21,3.2231E-21,3.2093E-21,3.2239E-21,3.2009E-21,3.0642E-21,2.7624E-21,2.3632E-21,2.1843E-21,2.2264E-21,2.3837E-21,2.5634E-21,2.5901E-21,2.3135E-21,1.7901E-21,1.1888E-21,7.2863E-22,5.3573E-22,3.1047E-22,1.6107E-22\n\"VLVPO1\",\"ppmV\",2.7979E-07,2.7483E-07,2.6915E-07,2.6252E-07,2.5502E-07,2.4658E-07,2.3721E-07,2.2782E-07,2.1730E-07,2.0513E-07,1.9214E-07,1.7814E-07,1.6468E-07,1.5093E-07,1.3699E-07,1.2631E-07,1.2021E-07,1.1660E-07,1.0955E-07,9.8664E-08,8.4395E-08,6.9145E-08,5.5702E-08,4.3163E-08,3.2061E-08,2.3014E-08,1.5643E-08,9.9065E-09,5.7380E-09,3.0535E-09,1.4855E-09,6.5880E-10,2.6763E-10,1.0107E-10,3.7722E-11,1.5880E-11,8.6149E-12,5.5356E-12,3.6821E-12,2.4094E-12,1.5705E-12,1.2179E-12,1.2867E-12,2.1646E-12\n\"VSVPO1\",\"ppmV\",1.2377E-07,1.2543E-07,1.2542E-07,1.2446E-07,1.2285E-07,1.2065E-07,1.1776E-07,1.1437E-07,1.1079E-07,1.0611E-07,1.0150E-07,9.6578E-08,9.1192E-08,8.6724E-08,8.4056E-08,8.4267E-08,8.7740E-08,9.2508E-08,9.5159E-08,9.2815E-08,8.3854E-08,7.2385E-08,6.1580E-08,5.2975E-08,4.4693E-08,3.6191E-08,2.8082E-08,2.0271E-08,1.3863E-08,8.9640E-09,5.2924E-09,2.8249E-09,1.3761E-09,6.4045E-10,3.0434E-10,1.6437E-10,1.0638E-10,7.6558E-11,5.5945E-11,4.0176E-11,2.8675E-11,2.3857E-11,2.5872E-11,4.2347E-11\n\"VSVPO2\",\"ppmV\",5.6318E-08,5.9282E-08,6.0678E-08,6.0965E-08,6.0499E-08,5.9482E-08,5.7559E-08,5.4682E-08,5.1149E-08,4.5994E-08,4.1452E-08,3.6675E-08,3.1590E-08,2.7419E-08,2.4550E-08,2.2394E-08,2.2153E-08,2.1803E-08,2.3904E-08,2.4766E-08,2.5754E-08,2.7547E-08,2.8778E-08,3.0370E-08,3.1666E-08,3.1802E-08,3.0414E-08,2.6363E-08,2.1281E-08,1.6901E-08,1.2915E-08,8.7756E-09,5.4956E-09,3.4744E-09,2.3218E-09,1.6847E-09,1.3256E-09,1.0729E-09,8.3807E-10,6.1816E-10,4.3898E-10,3.3489E-10,3.1085E-10,4.3301E-10\n\"VSVPO3\",\"ppmV\",4.7026E-08,4.9912E-08,5.1276E-08,5.1428E-08,5.0766E-08,4.9631E-08,4.7569E-08,4.4525E-08,4.0761E-08,3.5204E-08,3.0574E-08,2.5833E-08,2.0786E-08,1.6443E-08,1.2960E-08,9.9142E-09,7.3894E-09,5.3721E-09,4.0473E-09,2.9878E-09,2.3987E-09,2.1081E-09,1.7874E-09,1.6737E-09,1.6820E-09,1.7715E-09,1.9416E-09,2.2027E-09,2.4031E-09,2.5067E-09,2.5169E-09,2.3840E-09,2.1293E-09,1.8625E-09,1.6496E-09,1.4422E-09,1.2444E-09,1.0438E-09,7.4579E-10,4.5738E-10,2.7055E-10,1.6475E-10,8.9739E-11,5.1403E-11\n\"VIVPO1\",\"ppmV\",1.1963E-07,1.2704E-07,1.3053E-07,1.3085E-07,1.2905E-07,1.2605E-07,1.2065E-07,1.1270E-07,1.0287E-07,8.8368E-08,7.6374E-08,6.4152E-08,5.1177E-08,4.0036E-08,3.1106E-08,2.3269E-08,1.6572E-08,1.1226E-08,7.6511E-09,4.9434E-09,3.5600E-09,2.8068E-09,1.7667E-09,1.3721E-09,1.2731E-09,1.2284E-09,1.2197E-09,1.2324E-09,1.2682E-09,1.3025E-09,1.2731E-09,1.2061E-09,1.1000E-09,1.0705E-09,1.0100E-09,7.9744E-10,6.0648E-10,4.4704E-10,2.3659E-10,8.6483E-11,3.0041E-11,1.1732E-11,2.6334E-12,2.8056E-13\n\"VLVOO1\",\"ppmV\",1.5099E-07,1.4628E-07,1.4163E-07,1.3661E-07,1.3117E-07,1.2516E-07,1.1866E-07,1.1172E-07,1.0423E-07,9.6325E-08,8.8304E-08,8.0126E-08,7.1984E-08,6.4015E-08,5.6530E-08,5.0645E-08,4.5857E-08,4.1465E-08,3.7108E-08,3.2236E-08,2.6039E-08,1.9786E-08,1.4131E-08,9.4984E-09,5.9774E-09,3.6061E-09,2.1047E-09,1.1753E-09,6.1950E-10,3.0018E-10,1.3250E-10,5.3416E-11,1.9526E-11,6.4512E-12,1.9576E-12,6.1570E-13,2.5705E-13,1.3929E-13,8.3964E-14,4.9916E-14,2.8554E-14,1.5063E-14,1.4710E-14,3.9122E-14\n\"VLVOO2\",\"ppmV\",1.6765E-07,1.6572E-07,1.6296E-07,1.5968E-07,1.5599E-07,1.5172E-07,1.4695E-07,1.4217E-07,1.3661E-07,1.3019E-07,1.2328E-07,1.1565E-07,1.0839E-07,1.0040E-07,9.1683E-08,8.4794E-08,8.0217E-08,7.6795E-08,7.1618E-08,6.3902E-08,5.3827E-08,4.3369E-08,3.3994E-08,2.5536E-08,1.8352E-08,1.2854E-08,8.5936E-09,5.4339E-09,3.1885E-09,1.7193E-09,8.4582E-10,3.7951E-10,1.5492E-10,5.8329E-11,2.1043E-11,8.2597E-12,4.2134E-12,2.6410E-12,1.7607E-12,1.1662E-12,7.7359E-13,6.0504E-13,6.4328E-13,1.0892E-12\n\"VSVOO1\",\"ppmV\",8.1910E-09,8.4163E-09,8.4998E-09,8.5460E-09,8.5926E-09,8.6175E-09,8.6297E-09,8.6418E-09,8.5952E-09,8.4954E-09,8.3486E-09,8.1112E-09,7.8156E-09,7.3389E-09,6.8100E-09,6.3786E-09,6.0770E-09,5.8154E-09,5.4363E-09,4.8870E-09,4.1575E-09,3.4011E-09,2.6446E-09,1.9901E-09,1.4502E-09,1.0301E-09,7.1646E-10,4.8474E-10,3.1825E-10,2.0311E-10,1.2380E-10,7.0704E-11,3.6923E-11,1.7674E-11,7.7862E-12,3.3626E-12,1.6511E-12,9.7102E-13,6.4473E-13,4.5443E-13,3.2738E-13,2.6909E-13,2.9309E-13,4.8983E-13\n\"VSVOO2\",\"ppmV\",2.5194E-08,2.6300E-08,2.6818E-08,2.7192E-08,2.7564E-08,2.7869E-08,2.8150E-08,2.8424E-08,2.8498E-08,2.8354E-08,2.7981E-08,2.7236E-08,2.6179E-08,2.4449E-08,2.2567E-08,2.1041E-08,1.9912E-08,1.8889E-08,1.7499E-08,1.5571E-08,1.3152E-08,1.0694E-08,8.2192E-09,6.1509E-09,4.5160E-09,3.2680E-09,2.3543E-09,1.6624E-09,1.1509E-09,7.9057E-10,5.4422E-10,3.7228E-10,2.5535E-10,1.7402E-10,1.1482E-10,7.2823E-11,4.6588E-11,3.2260E-11,2.3604E-11,1.8327E-11,1.4254E-11,1.1501E-11,1.1504E-11,1.6944E-11\n\"VSVOO3\",\"ppmV\",4.1852E-08,4.3798E-08,4.4734E-08,4.5428E-08,4.6124E-08,4.6718E-08,4.7294E-08,4.7891E-08,4.8133E-08,4.7996E-08,4.7455E-08,4.6300E-08,4.4651E-08,4.1818E-08,3.8656E-08,3.6127E-08,3.4257E-08,3.2578E-08,3.0200E-08,2.6823E-08,2.2658E-08,1.8412E-08,1.4138E-08,1.0549E-08,7.6704E-09,5.4970E-09,3.8995E-09,2.7197E-09,1.8962E-09,1.3371E-09,9.6919E-10,7.2372E-10,5.4547E-10,4.1146E-10,3.0232E-10,2.0964E-10,1.2652E-10,6.8588E-11,3.8898E-11,2.8188E-11,2.5192E-11,2.0058E-11,1.2607E-11,8.1269E-12\n\"PCVOC\",\"ppmV\",4.9946E-15,5.2969E-15,5.4040E-15,5.4640E-15,5.5057E-15,5.5381E-15,5.5665E-15,5.5936E-15,5.6214E-15,5.6512E-15,5.6848E-15,5.7254E-15,5.7755E-15,5.8503E-15,5.9705E-15,6.1711E-15,6.5730E-15,7.1142E-15,7.8469E-15,8.6181E-15,9.0351E-15,9.2301E-15,9.7245E-15,1.0186E-14,1.0774E-14,1.1254E-14,1.1707E-14,1.2165E-14,1.2921E-14,1.3195E-14,1.3978E-14,1.4324E-14,1.3949E-14,1.2827E-14,1.0874E-14,9.3388E-15,8.1852E-15,7.9448E-15,7.4914E-15,6.2073E-15,3.6507E-15,1.7962E-15,7.1873E-16,3.3282E-16\n\"FORM_PRIMARY\",\"ppmV\",2.4866E-10,2.6562E-10,2.7174E-10,2.7528E-10,2.7817E-10,2.8045E-10,2.8273E-10,2.8505E-10,2.8749E-10,2.9082E-10,2.9534E-10,3.0411E-10,3.2009E-10,3.3215E-10,3.2953E-10,2.9282E-10,2.8207E-10,2.5505E-10,2.1480E-10,1.9252E-10,1.6400E-10,1.6855E-10,1.4999E-10,1.2737E-10,1.0439E-10,8.1020E-11,6.6699E-11,6.4743E-11,6.6882E-11,7.0193E-11,7.2995E-11,7.2957E-11,6.2005E-11,4.5135E-11,3.1148E-11,2.4718E-11,1.4835E-11,2.9677E-12,4.5044E-13,4.2866E-14,1.7629E-15,5.9265E-17,1.7638E-18,8.2987E-20\n\"ALD2_PRIMARY\",\"ppmV\",2.3889E-08,2.4845E-08,2.5177E-08,2.5361E-08,2.5495E-08,2.5598E-08,2.5697E-08,2.5795E-08,2.5905E-08,2.6065E-08,2.6243E-08,2.6461E-08,2.6810E-08,2.7396E-08,2.8169E-08,2.8620E-08,2.9726E-08,3.0131E-08,3.0419E-08,2.8377E-08,2.6562E-08,2.4390E-08,2.2070E-08,1.8856E-08,1.5958E-08,1.3920E-08,1.2809E-08,1.2216E-08,1.1982E-08,1.1784E-08,1.0913E-08,9.4115E-09,7.3031E-09,6.5586E-09,6.9171E-09,5.5545E-09,2.9355E-09,7.9857E-10,1.5199E-10,1.4048E-11,1.0939E-12,1.4310E-13,2.7202E-14,2.6224E-15\n\"BUTADIENE13\",\"ppmV\",2.4146E-12,2.4171E-12,2.4185E-12,2.4195E-12,2.4202E-12,2.4208E-12,2.4192E-12,2.4180E-12,2.4134E-12,2.4107E-12,2.4026E-12,2.3916E-12,2.3833E-12,2.3732E-12,2.3615E-12,2.3294E-12,2.2720E-12,2.2280E-12,2.2730E-12,2.4708E-12,2.1932E-12,1.6427E-12,1.2769E-12,1.1324E-12,1.0552E-12,8.2478E-13,5.4556E-13,3.7789E-13,2.7881E-13,2.0225E-13,8.4202E-14,2.8864E-14,2.0669E-14,3.3859E-14,4.1584E-14,4.6181E-14,2.1242E-14,1.9426E-15,5.5818E-17,2.7612E-18,2.3625E-19,2.1061E-20,2.0105E-21,2.0210E-22\n\"ACROLEIN\",\"ppmV\",2.3625E-10,2.4186E-10,2.4397E-10,2.4521E-10,2.4621E-10,2.4703E-10,2.4765E-10,2.4850E-10,2.4924E-10,2.5033E-10,2.5206E-10,2.5577E-10,2.6309E-10,2.6529E-10,2.6345E-10,2.4912E-10,2.4030E-10,2.2834E-10,2.1107E-10,1.9726E-10,1.8180E-10,1.6177E-10,1.4854E-10,1.4131E-10,1.3313E-10,1.1685E-10,1.0005E-10,8.7087E-11,7.9169E-11,7.4437E-11,6.9651E-11,5.1556E-11,2.9326E-11,1.6979E-11,9.8428E-12,7.4427E-12,4.4848E-12,1.6250E-12,3.8215E-13,8.1570E-14,1.4770E-14,1.9203E-15,2.4224E-16,3.4762E-17\n\"ACRO_PRIMARY\",\"ppmV\",7.5691E-11,7.7501E-11,7.8186E-11,7.8585E-11,7.8910E-11,7.9176E-11,7.9373E-11,7.9647E-11,7.9880E-11,8.0227E-11,8.0759E-11,8.1938E-11,8.4279E-11,8.4998E-11,8.4438E-11,7.9845E-11,7.7495E-11,7.4123E-11,6.8713E-11,6.4334E-11,5.9108E-11,5.2728E-11,4.8745E-11,4.6641E-11,4.4117E-11,3.9042E-11,3.3633E-11,2.9182E-11,2.6348E-11,2.4689E-11,2.3466E-11,1.7945E-11,1.0150E-11,5.6797E-12,3.0601E-12,2.1037E-12,1.2081E-12,4.3292E-13,1.0924E-13,2.6131E-14,4.9997E-15,6.7805E-16,8.2838E-17,1.1280E-17\n\"TOLU\",\"ppmV\",4.0565E-20,4.0321E-20,4.0296E-20,4.0257E-20,4.0066E-20,3.9764E-20,3.9520E-20,3.9410E-20,3.9229E-20,3.9024E-20,3.9025E-20,3.9097E-20,3.9287E-20,3.9455E-20,3.9398E-20,3.9092E-20,3.8448E-20,3.7512E-20,3.6360E-20,3.4964E-20,3.3878E-20,3.3178E-20,3.0942E-20,3.0073E-20,3.0272E-20,3.0736E-20,3.1127E-20,3.1015E-20,3.0407E-20,2.9655E-20,2.8628E-20,2.7723E-20,2.6729E-20,2.5233E-20,2.2731E-20,1.8836E-20,1.3757E-20,7.1446E-21,2.4028E-21,2.9355E-22,3.1782E-23,8.5910E-24,2.7739E-24,1.3406E-24\n\"HG\",\"ppmV\",2.9380E-08,2.9381E-08,2.9382E-08,2.9384E-08,2.9389E-08,2.9397E-08,2.9416E-08,2.9445E-08,2.9486E-08,2.9548E-08,2.9644E-08,2.9777E-08,2.9942E-08,3.0155E-08,3.0421E-08,3.0738E-08,3.1147E-08,3.1620E-08,3.2240E-08,3.2994E-08,3.3876E-08,3.4750E-08,3.5682E-08,3.6700E-08,3.7728E-08,3.8640E-08,3.9575E-08,4.0678E-08,4.1760E-08,4.2797E-08,4.3927E-08,4.5187E-08,4.6577E-08,4.8015E-08,4.9436E-08,5.0760E-08,5.1676E-08,5.2118E-08,5.1876E-08,5.0860E-08,4.8409E-08,4.3917E-08,3.9423E-08,3.7333E-08\n\"HGIIGAS\",\"ppmV\",5.7755E-10,6.0781E-10,6.2412E-10,6.3808E-10,6.5524E-10,6.7665E-10,7.0593E-10,7.4421E-10,7.8214E-10,8.2703E-10,8.8914E-10,9.8141E-10,1.1195E-09,1.2773E-09,1.4443E-09,1.6113E-09,1.8033E-09,1.9836E-09,2.1924E-09,2.3942E-09,2.5645E-09,2.6727E-09,2.7745E-09,2.8838E-09,2.9610E-09,2.9683E-09,2.9927E-09,3.0491E-09,3.1336E-09,3.2609E-09,3.4305E-09,3.6720E-09,4.0146E-09,4.5440E-09,5.3457E-09,6.6317E-09,8.8579E-09,1.2454E-08,1.7648E-08,2.4273E-08,2.9829E-08,3.5549E-08,4.0993E-08,4.3694E-08\n\"SVAVB1\",\"ppmV\",1.3029E-07,1.3050E-07,1.3032E-07,1.3001E-07,1.2968E-07,1.2920E-07,1.2868E-07,1.2807E-07,1.2736E-07,1.2670E-07,1.2609E-07,1.2537E-07,1.2451E-07,1.2371E-07,1.2280E-07,1.2207E-07,1.2138E-07,1.2062E-07,1.1982E-07,1.1918E-07,1.1808E-07,1.1677E-07,1.1523E-07,1.1310E-07,1.1050E-07,1.0709E-07,1.0233E-07,9.7705E-08,9.2641E-08,8.6345E-08,7.9793E-08,7.2755E-08,6.5527E-08,5.7528E-08,4.9482E-08,4.1175E-08,3.2779E-08,2.6148E-08,2.2103E-08,2.0476E-08,2.0682E-08,2.3454E-08,2.8531E-08,3.9610E-08\n\"SVAVB2\",\"ppmV\",3.4319E-08,3.5833E-08,3.6530E-08,3.7040E-08,3.7484E-08,3.7821E-08,3.8076E-08,3.8240E-08,3.8308E-08,3.8296E-08,3.8202E-08,3.7990E-08,3.7854E-08,3.7716E-08,3.7917E-08,3.8734E-08,4.0132E-08,4.1804E-08,4.2674E-08,4.3346E-08,4.3391E-08,4.3329E-08,4.3561E-08,4.3621E-08,4.3547E-08,4.3371E-08,4.2818E-08,4.3096E-08,4.4121E-08,4.5065E-08,4.6300E-08,4.7170E-08,4.6803E-08,4.6616E-08,4.7126E-08,4.6878E-08,4.4086E-08,3.7485E-08,2.5395E-08,1.1787E-08,4.6930E-09,1.9048E-09,8.4260E-10,6.5236E-10\n\"SVAVB3\",\"ppmV\",2.1854E-07,2.2962E-07,2.3474E-07,2.3858E-07,2.4236E-07,2.4592E-07,2.4973E-07,2.5436E-07,2.5938E-07,2.6521E-07,2.7269E-07,2.8148E-07,2.9431E-07,3.1016E-07,3.3555E-07,3.7286E-07,4.3092E-07,4.8762E-07,5.3169E-07,5.6122E-07,5.7179E-07,5.6816E-07,5.6814E-07,5.6698E-07,5.6335E-07,5.5480E-07,5.4760E-07,5.4621E-07,5.5115E-07,5.5787E-07,5.5966E-07,5.4966E-07,5.2468E-07,4.9835E-07,4.7388E-07,4.4545E-07,4.0507E-07,3.5005E-07,2.5806E-07,1.4440E-07,7.9040E-08,4.5722E-08,2.7222E-08,2.2530E-08\n\"SVAVB4\",\"ppmV\",1.0490E-06,1.1053E-06,1.1341E-06,1.1575E-06,1.1825E-06,1.2110E-06,1.2467E-06,1.2969E-06,1.3478E-06,1.4032E-06,1.4723E-06,1.5528E-06,1.6686E-06,1.8124E-06,2.0158E-06,2.2680E-06,2.6725E-06,3.0471E-06,3.3690E-06,3.5800E-06,3.6760E-06,3.6456E-06,3.6460E-06,3.6654E-06,3.6564E-06,3.6306E-06,3.6350E-06,3.6555E-06,3.7072E-06,3.7656E-06,3.7943E-06,3.7669E-06,3.6626E-06,3.5718E-06,3.5379E-06,3.5496E-06,3.6372E-06,3.7616E-06,3.6852E-06,3.3100E-06,2.9018E-06,2.5943E-06,2.2930E-06,2.1385E-06\n\"BR\",\"ppmV\",1.1478E-08,1.1968E-08,1.2293E-08,1.2674E-08,1.3171E-08,1.3833E-08,1.4723E-08,1.5953E-08,1.6876E-08,1.7478E-08,1.6919E-08,1.8586E-08,1.8392E-08,2.0097E-08,2.2514E-08,2.3069E-08,2.1098E-08,1.9513E-08,2.0895E-08,2.3734E-08,2.0918E-08,1.5790E-08,1.2185E-08,8.0654E-09,7.8848E-09,8.1149E-09,8.4184E-09,8.6345E-09,8.5235E-09,8.3307E-09,8.2807E-09,8.3538E-09,8.4987E-09,8.7363E-09,8.8511E-09,1.0112E-08,1.5185E-08,2.1384E-08,1.4499E-08,8.1528E-09,9.6497E-09,1.1739E-08,1.3881E-08,1.2700E-08\n\"BRO\",\"ppmV\",2.5407E-07,2.6368E-07,2.6894E-07,2.7496E-07,2.8245E-07,2.9196E-07,3.0552E-07,3.2131E-07,3.3894E-07,3.6089E-07,3.7172E-07,3.9838E-07,4.0641E-07,4.3927E-07,4.7995E-07,4.8497E-07,4.5742E-07,4.4831E-07,4.6928E-07,4.7387E-07,3.8089E-07,2.6923E-07,1.9255E-07,1.3103E-07,1.1838E-07,1.1325E-07,1.0807E-07,1.0100E-07,9.0227E-08,7.8761E-08,6.9542E-08,6.2543E-08,5.5922E-08,4.9464E-08,4.4607E-08,4.7061E-08,6.6340E-08,8.4368E-08,7.1805E-08,5.8218E-08,7.8478E-08,1.5335E-07,2.6790E-07,3.2010E-07\n\"HOBR\",\"ppmV\",1.2220E-06,1.2951E-06,1.3369E-06,1.3748E-06,1.4227E-06,1.4738E-06,1.5405E-06,1.5904E-06,1.6389E-06,1.6942E-06,1.7547E-06,1.8343E-06,1.8856E-06,1.9963E-06,2.1031E-06,2.0687E-06,1.8759E-06,1.7151E-06,1.4969E-06,1.2505E-06,9.9240E-07,7.8971E-07,6.0047E-07,4.8381E-07,4.3580E-07,4.0595E-07,3.7392E-07,3.3868E-07,3.0339E-07,2.7081E-07,2.4070E-07,2.1496E-07,1.8559E-07,1.5170E-07,1.1985E-07,1.1408E-07,1.1914E-07,8.7714E-08,6.6123E-08,4.1623E-08,5.4214E-08,1.0835E-07,2.2615E-07,3.5184E-07\n\"HBR\",\"ppmV\",4.8215E-07,5.0798E-07,5.1859E-07,5.2524E-07,5.3103E-07,5.2843E-07,5.3152E-07,5.3761E-07,5.3417E-07,5.2674E-07,5.1406E-07,5.2127E-07,5.2347E-07,5.2256E-07,5.2048E-07,5.0918E-07,4.7032E-07,4.2463E-07,3.7504E-07,3.3522E-07,2.8712E-07,2.4098E-07,2.0575E-07,1.8335E-07,1.6100E-07,1.5286E-07,1.4470E-07,1.3446E-07,1.1751E-07,9.6825E-08,7.7252E-08,6.1540E-08,4.7832E-08,3.4903E-08,2.2505E-08,1.4458E-08,1.0771E-08,5.0703E-09,1.3374E-09,6.1884E-10,5.8719E-10,5.4747E-10,5.8129E-10,7.9238E-10\n\"BR2\",\"ppmV\",9.9668E-07,1.0024E-06,1.0054E-06,1.0083E-06,1.0116E-06,1.0164E-06,1.0205E-06,1.0228E-06,1.0281E-06,1.0428E-06,1.0621E-06,1.0822E-06,1.1023E-06,1.1403E-06,1.1506E-06,1.0809E-06,1.0035E-06,9.0534E-07,7.9354E-07,6.4817E-07,5.2336E-07,4.0697E-07,3.2542E-07,2.7142E-07,2.4808E-07,2.2738E-07,2.0240E-07,1.6931E-07,1.3649E-07,1.0484E-07,7.7666E-08,5.9076E-08,4.5695E-08,3.4877E-08,2.6780E-08,3.6717E-08,3.5344E-08,7.7983E-09,9.5030E-09,2.9752E-09,3.1030E-09,5.1234E-09,8.4385E-09,9.4968E-09\n\"BRNO3\",\"ppmV\",1.2903E-06,1.3584E-06,1.3890E-06,1.4097E-06,1.4201E-06,1.4234E-06,1.4219E-06,1.4033E-06,1.3751E-06,1.3218E-06,1.2617E-06,1.1887E-06,1.0911E-06,1.0194E-06,9.4639E-07,8.2472E-07,7.1454E-07,6.1774E-07,5.3463E-07,4.2705E-07,3.0603E-07,2.2100E-07,1.6789E-07,1.3589E-07,1.1805E-07,1.0594E-07,9.4701E-08,8.1266E-08,6.7652E-08,5.6991E-08,4.8315E-08,4.2587E-08,3.8867E-08,3.7182E-08,4.0776E-08,6.5425E-08,1.0179E-07,9.2488E-08,1.1087E-07,7.9716E-08,1.0196E-07,1.7121E-07,2.5086E-07,2.2447E-07\n\"BRNO2\",\"ppmV\",5.3970E-08,5.4718E-08,5.5312E-08,5.5670E-08,5.5487E-08,5.5167E-08,5.4646E-08,5.3459E-08,5.1785E-08,4.8268E-08,4.4499E-08,4.0909E-08,3.4936E-08,3.1491E-08,2.8316E-08,2.3965E-08,1.9710E-08,1.6279E-08,1.4149E-08,1.1731E-08,8.9693E-09,6.4931E-09,4.5945E-09,3.5558E-09,3.1591E-09,2.8933E-09,2.6053E-09,2.2602E-09,1.9014E-09,1.5551E-09,1.2462E-09,1.0635E-09,9.6643E-10,9.1919E-10,1.0294E-09,2.4457E-09,4.2013E-09,3.0482E-09,3.0856E-09,1.5471E-09,1.2916E-09,1.0202E-09,7.4643E-10,4.2938E-10\n\"FMBR\",\"ppmV\",1.5931E-08,1.6748E-08,1.7070E-08,1.7287E-08,1.7459E-08,1.7595E-08,1.7716E-08,1.7787E-08,1.7859E-08,1.7921E-08,1.7998E-08,1.8020E-08,1.7979E-08,1.8137E-08,1.8366E-08,1.8442E-08,1.8612E-08,1.8819E-08,1.8825E-08,1.8389E-08,1.7384E-08,1.6346E-08,1.5744E-08,1.5088E-08,1.4494E-08,1.3856E-08,1.2983E-08,1.2239E-08,1.1791E-08,1.1359E-08,1.0533E-08,9.4956E-09,8.3234E-09,7.1402E-09,5.9059E-09,4.4882E-09,2.8807E-09,1.3345E-09,5.4693E-10,1.5359E-10,4.4075E-11,1.4942E-11,2.9496E-12,5.0611E-13\n\"CH3BR\",\"ppmV\",8.1645E-20,8.1373E-20,8.1325E-20,8.1257E-20,8.1017E-20,8.0645E-20,8.0264E-20,7.9970E-20,7.9602E-20,7.9174E-20,7.8856E-20,7.8402E-20,7.8062E-20,7.7632E-20,7.7210E-20,7.6866E-20,7.6870E-20,7.7206E-20,7.7756E-20,7.8380E-20,7.9361E-20,8.0367E-20,8.1983E-20,8.3633E-20,8.4644E-20,8.5386E-20,8.5788E-20,8.6059E-20,8.6242E-20,8.6178E-20,8.5930E-20,8.5664E-20,8.5440E-20,8.5188E-20,8.4660E-20,8.3791E-20,8.2359E-20,7.9682E-20,7.5224E-20,6.9050E-20,6.2991E-20,5.6380E-20,5.0089E-20,4.7254E-20\n\"MB3\",\"ppmV\",1.8285E-06,1.8053E-06,1.7879E-06,1.7709E-06,1.7524E-06,1.7330E-06,1.7098E-06,1.6817E-06,1.6522E-06,1.6175E-06,1.5746E-06,1.5218E-06,1.4615E-06,1.3887E-06,1.3012E-06,1.1967E-06,1.0891E-06,9.8167E-07,8.7986E-07,7.9411E-07,7.2427E-07,6.7363E-07,6.3124E-07,5.9374E-07,5.6374E-07,5.4068E-07,5.1598E-07,4.8645E-07,4.5672E-07,4.2704E-07,3.9481E-07,3.6634E-07,3.3943E-07,3.1177E-07,2.8078E-07,2.4477E-07,1.9982E-07,1.4840E-07,9.7043E-08,5.5202E-08,3.0366E-08,1.3878E-08,5.7549E-09,3.3677E-09\n\"MB2\",\"ppmV\",1.0371E-06,1.0313E-06,1.0269E-06,1.0225E-06,1.0176E-06,1.0125E-06,1.0061E-06,9.9787E-07,9.8880E-07,9.7796E-07,9.6424E-07,9.4694E-07,9.2726E-07,9.0199E-07,8.7054E-07,8.3350E-07,7.9477E-07,7.5512E-07,7.1697E-07,6.8363E-07,6.5527E-07,6.3479E-07,6.1674E-07,6.0075E-07,5.8797E-07,5.7913E-07,5.7032E-07,5.5919E-07,5.4770E-07,5.3642E-07,5.2382E-07,5.1128E-07,4.9770E-07,4.8252E-07,4.6420E-07,4.4166E-07,4.1273E-07,3.7618E-07,3.3455E-07,2.8818E-07,2.4783E-07,2.0782E-07,1.7056E-07,1.5152E-07\n\"MB2C\",\"ppmV\",1.0351E-07,1.0256E-07,1.0180E-07,1.0104E-07,1.0023E-07,9.9370E-08,9.8348E-08,9.7080E-08,9.5739E-08,9.4173E-08,9.2240E-08,8.9822E-08,8.7075E-08,8.3772E-08,7.9810E-08,7.5159E-08,7.0279E-08,6.5354E-08,6.0628E-08,5.6655E-08,5.3346E-08,5.1003E-08,4.8978E-08,4.7234E-08,4.5889E-08,4.4933E-08,4.3937E-08,4.2731E-08,4.1501E-08,4.0252E-08,3.8867E-08,3.7576E-08,3.6284E-08,3.4838E-08,3.3124E-08,3.0957E-08,2.7964E-08,2.4074E-08,1.9555E-08,1.4801E-08,1.1001E-08,7.4877E-09,4.8950E-09,3.7578E-09\n\"MBC2\",\"ppmV\",1.0137E-07,1.0046E-07,9.9740E-08,9.9031E-08,9.8260E-08,9.7445E-08,9.6468E-08,9.5241E-08,9.3934E-08,9.2400E-08,9.0497E-08,8.8117E-08,8.5397E-08,8.2081E-08,7.8069E-08,7.3324E-08,6.8383E-08,6.3405E-08,5.8625E-08,5.4615E-08,5.1300E-08,4.8936E-08,4.6894E-08,4.5115E-08,4.3735E-08,4.2742E-08,4.1701E-08,4.0445E-08,3.9179E-08,3.7901E-08,3.6493E-08,3.5183E-08,3.3873E-08,3.2415E-08,3.0677E-08,2.8476E-08,2.5448E-08,2.1537E-08,1.7029E-08,1.2400E-08,8.8113E-09,5.5401E-09,3.3186E-09,2.4641E-09\n\"MBC\",\"ppmV\",8.4139E-08,8.3662E-08,8.3245E-08,8.2827E-08,8.2382E-08,8.1913E-08,8.1363E-08,8.0661E-08,7.9902E-08,7.9021E-08,7.7947E-08,7.6595E-08,7.5106E-08,7.3284E-08,7.1059E-08,6.8439E-08,6.5683E-08,6.2877E-08,6.0210E-08,5.7990E-08,5.6154E-08,5.4921E-08,5.3880E-08,5.2999E-08,5.2363E-08,5.1922E-08,5.1494E-08,5.0932E-08,5.0290E-08,4.9616E-08,4.8866E-08,4.8082E-08,4.7207E-08,4.6146E-08,4.4849E-08,4.3224E-08,4.1080E-08,3.8231E-08,3.4717E-08,3.0509E-08,2.6626E-08,2.2448E-08,1.8602E-08,1.6686E-08\n\"DMS\",\"ppmV\",6.4765E-05,5.7795E-05,5.4853E-05,5.2834E-05,5.0880E-05,4.9048E-05,4.7027E-05,4.4890E-05,4.2898E-05,4.0341E-05,3.7087E-05,3.2544E-05,2.5726E-05,1.9231E-05,1.4261E-05,1.0848E-05,8.4522E-06,6.3294E-06,4.7640E-06,3.6355E-06,3.0186E-06,2.6774E-06,2.3044E-06,2.1366E-06,2.0588E-06,2.0003E-06,1.9092E-06,1.7217E-06,1.5177E-06,1.3210E-06,1.1239E-06,1.0007E-06,8.9485E-07,7.6894E-07,6.0340E-07,4.4082E-07,2.6809E-07,9.6241E-08,2.0987E-08,7.2240E-10,1.3589E-11,1.9358E-12,5.6148E-13,4.4396E-14\n\"MSA\",\"ppmV\",7.1013E-06,7.4399E-06,7.5840E-06,7.6838E-06,7.7810E-06,7.8728E-06,7.9611E-06,8.0449E-06,8.1131E-06,8.1760E-06,8.2424E-06,8.3184E-06,8.3802E-06,8.2116E-06,7.7545E-06,7.1216E-06,6.4816E-06,5.7325E-06,5.0801E-06,4.5489E-06,4.0921E-06,3.8174E-06,3.5503E-06,3.4077E-06,3.3634E-06,3.3923E-06,3.4359E-06,3.5054E-06,3.5945E-06,3.6691E-06,3.7265E-06,3.7792E-06,3.8584E-06,3.9589E-06,4.0506E-06,4.1662E-06,4.2638E-06,4.3326E-06,4.4140E-06,4.4708E-06,4.3581E-06,4.0499E-06,3.7914E-06,3.6625E-06\n\"BRCL\",\"ppmV\",1.3958E-06,1.3990E-06,1.4020E-06,1.4065E-06,1.4107E-06,1.4028E-06,1.3933E-06,1.3967E-06,1.3978E-06,1.3857E-06,1.3529E-06,1.2995E-06,1.2070E-06,1.1016E-06,9.6509E-07,8.1410E-07,6.9555E-07,5.0950E-07,3.5587E-07,2.7398E-07,1.9931E-07,1.6131E-07,1.2298E-07,9.7191E-08,8.0537E-08,7.1197E-08,6.7547E-08,6.3948E-08,5.7722E-08,5.4424E-08,5.1729E-08,4.6343E-08,4.0239E-08,3.5189E-08,3.0618E-08,2.8892E-08,2.9081E-08,2.4197E-08,3.2102E-08,1.5057E-08,1.5763E-08,2.4752E-08,3.6955E-08,4.0972E-08\n\"I\",\"ppmV\",5.5721E-08,5.4713E-08,5.4534E-08,5.4466E-08,5.4411E-08,5.4353E-08,5.4781E-08,5.4794E-08,5.5070E-08,5.5246E-08,5.4327E-08,5.2533E-08,4.8122E-08,4.3976E-08,3.9860E-08,3.5877E-08,3.1829E-08,2.9315E-08,2.7154E-08,2.5449E-08,2.4403E-08,2.3284E-08,1.9944E-08,1.8057E-08,1.7712E-08,1.8636E-08,2.0090E-08,2.2141E-08,2.4953E-08,2.8361E-08,3.2665E-08,3.7875E-08,4.4436E-08,5.1866E-08,5.9079E-08,6.6516E-08,7.3136E-08,7.8185E-08,7.9523E-08,7.7095E-08,5.8828E-08,3.0115E-08,1.7712E-08,1.3311E-08\n\"IO\",\"ppmV\",2.2996E-07,2.2466E-07,2.2241E-07,2.2088E-07,2.1932E-07,2.1758E-07,2.1693E-07,2.1604E-07,2.1546E-07,2.1487E-07,2.0965E-07,2.0059E-07,1.8603E-07,1.7041E-07,1.5220E-07,1.3427E-07,1.1844E-07,1.0671E-07,9.7232E-08,8.8725E-08,8.2309E-08,7.6975E-08,6.6861E-08,6.0064E-08,5.7925E-08,5.8559E-08,5.9865E-08,6.1702E-08,6.3946E-08,6.6312E-08,6.9263E-08,7.2269E-08,7.5528E-08,7.8537E-08,8.1133E-08,8.4438E-08,8.9427E-08,9.4347E-08,9.6626E-08,9.3871E-08,8.8410E-08,8.5830E-08,8.3674E-08,8.3227E-08\n\"HI\",\"ppmV\",8.6587E-09,8.8676E-09,8.8991E-09,8.8789E-09,8.8333E-09,8.7650E-09,8.7197E-09,8.7150E-09,8.6153E-09,8.4720E-09,8.2594E-09,7.9187E-09,7.3918E-09,6.8963E-09,6.4492E-09,6.1986E-09,6.0856E-09,6.0304E-09,5.9574E-09,5.8535E-09,5.7641E-09,5.6758E-09,5.1037E-09,4.6861E-09,4.4739E-09,4.5082E-09,4.5769E-09,4.7178E-09,4.9392E-09,5.1048E-09,5.2511E-09,5.3737E-09,5.4278E-09,5.2252E-09,4.5987E-09,3.6371E-09,2.4438E-09,1.4314E-09,8.6173E-10,5.9851E-10,4.3269E-10,3.0457E-10,2.4551E-10,2.2767E-10\n\"I2\",\"ppmV\",1.2382E-08,1.0183E-08,9.0816E-09,8.3209E-09,7.7246E-09,7.2252E-09,6.7401E-09,6.2562E-09,5.8677E-09,5.3781E-09,4.7867E-09,3.9707E-09,2.7711E-09,1.8445E-09,1.2683E-09,8.4126E-10,5.6928E-10,3.7088E-10,2.5391E-10,1.8024E-10,1.5068E-10,1.3066E-10,6.4851E-11,4.9808E-11,4.7017E-11,4.6265E-11,4.5741E-11,4.4412E-11,4.3544E-11,4.1808E-11,4.0075E-11,4.0549E-11,4.3751E-11,4.7192E-11,4.6226E-11,4.5595E-11,5.2187E-11,6.7792E-11,9.5604E-11,1.0403E-10,5.4340E-11,4.9686E-12,4.1046E-13,1.2308E-13\n\"HOI\",\"ppmV\",1.7955E-06,1.7040E-06,1.6533E-06,1.6126E-06,1.5781E-06,1.5485E-06,1.5208E-06,1.4935E-06,1.4648E-06,1.4261E-06,1.3640E-06,1.2709E-06,1.1455E-06,1.0038E-06,8.5976E-07,7.3917E-07,6.3784E-07,5.7052E-07,5.1509E-07,4.6693E-07,4.3122E-07,3.9976E-07,3.4547E-07,3.0877E-07,2.9448E-07,2.9044E-07,2.8897E-07,2.8879E-07,2.9121E-07,2.9361E-07,2.9571E-07,2.9664E-07,2.9396E-07,2.8648E-07,2.7213E-07,2.5076E-07,2.1957E-07,1.8122E-07,1.4472E-07,1.1835E-07,1.0316E-07,9.7913E-08,1.0894E-07,1.2989E-07\n\"INO\",\"ppmV\",6.3781E-10,6.3976E-10,6.3953E-10,6.2690E-10,6.0726E-10,5.8174E-10,5.5519E-10,5.1465E-10,4.7867E-10,4.2037E-10,3.6019E-10,2.8327E-10,1.8982E-10,1.2238E-10,8.3091E-11,6.1151E-11,5.0441E-11,4.5502E-11,4.2038E-11,3.9360E-11,3.8064E-11,3.6566E-11,2.9652E-11,2.6750E-11,2.5749E-11,2.5718E-11,2.5955E-11,2.7009E-11,2.8987E-11,3.1884E-11,3.6282E-11,4.3011E-11,5.3995E-11,7.3370E-11,1.0765E-10,1.6819E-10,2.6704E-10,4.2067E-10,5.6604E-10,6.1649E-10,3.4084E-10,5.1069E-11,8.0829E-12,2.4986E-12\n\"INO2\",\"ppmV\",2.2374E-10,2.2932E-10,2.3576E-10,2.3790E-10,2.3806E-10,2.3543E-10,2.3385E-10,2.2163E-10,2.1409E-10,1.9569E-10,1.7921E-10,1.5836E-10,1.3019E-10,1.1097E-10,9.7400E-11,7.9772E-11,7.1109E-11,6.8232E-11,6.9292E-11,7.7258E-11,9.2647E-11,1.1446E-10,1.3692E-10,1.7845E-10,2.4478E-10,3.4159E-10,4.7748E-10,6.7110E-10,9.2926E-10,1.2736E-09,1.7446E-09,2.3670E-09,3.3112E-09,5.0668E-09,8.0516E-09,1.2319E-08,1.7044E-08,2.0660E-08,2.0399E-08,1.6255E-08,9.4280E-09,3.3769E-09,1.1451E-09,4.8865E-10\n\"INO3\",\"ppmV\",6.1263E-07,6.2900E-07,6.3265E-07,6.2489E-07,6.1112E-07,5.9396E-07,5.7029E-07,5.3919E-07,5.0119E-07,4.5424E-07,4.0680E-07,3.4827E-07,2.8338E-07,2.1488E-07,1.6390E-07,1.2678E-07,1.0367E-07,9.2702E-08,8.4508E-08,7.6955E-08,7.1033E-08,6.4962E-08,5.4789E-08,4.7620E-08,4.3082E-08,3.9425E-08,3.6087E-08,3.3399E-08,3.1394E-08,2.9906E-08,2.9519E-08,3.0807E-08,3.4516E-08,4.1368E-08,5.1428E-08,6.4916E-08,8.3174E-08,1.0312E-07,1.1400E-07,1.1249E-07,9.5378E-08,6.7758E-08,4.2913E-08,2.7119E-08\n\"OIO\",\"ppmV\",7.5679E-09,7.4519E-09,7.3588E-09,7.3494E-09,7.3899E-09,7.4693E-09,7.6726E-09,8.0686E-09,8.5856E-09,9.5415E-09,1.0196E-08,1.1002E-08,1.2151E-08,1.2785E-08,1.2293E-08,1.1249E-08,9.5958E-09,8.2559E-09,6.9337E-09,5.9557E-09,5.0721E-09,4.3734E-09,3.3042E-09,2.6815E-09,2.5203E-09,2.6042E-09,2.8369E-09,3.1481E-09,3.5926E-09,4.2079E-09,4.9655E-09,5.6732E-09,6.0355E-09,5.8495E-09,5.0976E-09,4.0403E-09,3.0303E-09,2.1562E-09,1.6099E-09,1.2341E-09,1.0283E-09,1.0469E-09,9.5817E-10,7.4951E-10\n\"I2O4\",\"ppmV\",1.9755E-11,1.7831E-11,1.6397E-11,1.6140E-11,1.6351E-11,1.6749E-11,1.7843E-11,1.9827E-11,2.2506E-11,2.8764E-11,3.3208E-11,3.8680E-11,4.8364E-11,5.7839E-11,5.6527E-11,5.0166E-11,3.9299E-11,3.0828E-11,2.2891E-11,1.8131E-11,1.4014E-11,1.0101E-11,5.1970E-12,3.0770E-12,2.1890E-12,1.9595E-12,2.0428E-12,2.2317E-12,2.5376E-12,3.0503E-12,3.9351E-12,4.6265E-12,4.6447E-12,3.8790E-12,2.6865E-12,1.6930E-12,9.6357E-13,4.4130E-13,2.0934E-13,1.0015E-13,5.1021E-14,3.1949E-14,1.9420E-14,8.8970E-15\n\"I2O2\",\"ppmV\",4.6038E-10,4.4320E-10,4.3766E-10,4.3672E-10,4.3843E-10,4.3825E-10,4.5090E-10,4.5374E-10,4.6581E-10,4.8449E-10,4.8991E-10,4.8730E-10,4.6403E-10,4.4478E-10,4.0279E-10,3.3442E-10,2.8948E-10,2.6305E-10,2.5573E-10,2.4381E-10,2.6204E-10,2.7360E-10,2.4194E-10,2.3720E-10,2.7175E-10,3.4033E-10,4.3359E-10,5.5568E-10,7.0558E-10,8.8059E-10,1.1013E-09,1.3500E-09,1.7431E-09,2.4264E-09,3.4573E-09,4.7858E-09,5.9652E-09,6.9093E-09,7.2406E-09,6.7253E-09,5.1060E-09,3.1852E-09,2.1444E-09,1.5258E-09\n\"I2O3\",\"ppmV\",8.0862E-09,7.8222E-09,7.4019E-09,7.1945E-09,7.0818E-09,6.9972E-09,7.0163E-09,7.1585E-09,7.3766E-09,7.9043E-09,8.1516E-09,8.3034E-09,8.3840E-09,8.0476E-09,7.0378E-09,5.9637E-09,4.6870E-09,3.7461E-09,2.7805E-09,2.1312E-09,1.6276E-09,1.1978E-09,6.5501E-10,3.8533E-10,2.8664E-10,2.4497E-10,2.3852E-10,2.3859E-10,2.4356E-10,2.6494E-10,3.0388E-10,3.3935E-10,3.4673E-10,3.0451E-10,2.4453E-10,2.1986E-10,1.8541E-10,1.3971E-10,1.2947E-10,1.0898E-10,7.7564E-11,5.1690E-11,3.9091E-11,2.4303E-11\n\"CH3I\",\"ppmV\",7.7237E-07,7.5475E-07,7.4159E-07,7.2881E-07,7.1516E-07,7.0119E-07,6.8485E-07,6.6621E-07,6.4750E-07,6.2595E-07,5.9987E-07,5.6823E-07,5.3265E-07,4.9235E-07,4.4751E-07,3.9632E-07,3.4531E-07,2.9689E-07,2.5357E-07,2.1846E-07,1.9169E-07,1.7276E-07,1.5703E-07,1.4406E-07,1.3401E-07,1.2594E-07,1.1749E-07,1.0689E-07,9.6309E-08,8.5878E-08,7.4601E-08,6.5401E-08,5.7147E-08,4.9289E-08,4.0600E-08,3.1378E-08,2.1640E-08,1.2598E-08,5.7507E-09,1.8744E-09,5.9446E-10,1.5232E-10,3.0436E-11,9.5487E-12\n\"ICL\",\"ppmV\",2.9915E-07,3.1320E-07,3.1814E-07,3.1708E-07,3.1312E-07,3.0949E-07,3.0531E-07,2.9882E-07,2.9220E-07,2.8282E-07,2.6643E-07,2.4476E-07,2.0247E-07,1.6541E-07,1.3748E-07,1.1342E-07,8.8409E-08,7.1976E-08,5.7821E-08,4.8311E-08,4.0186E-08,3.4509E-08,2.4829E-08,1.9981E-08,1.6920E-08,1.5284E-08,1.4495E-08,1.3921E-08,1.3506E-08,1.3223E-08,1.2857E-08,1.2096E-08,1.1321E-08,1.0790E-08,1.0370E-08,9.7375E-09,9.2098E-09,8.6824E-09,7.8413E-09,6.3884E-09,4.1894E-09,2.4151E-09,1.4073E-09,9.0763E-10\n\"IBR\",\"ppmV\",2.2746E-07,2.3459E-07,2.3760E-07,2.3978E-07,2.4165E-07,2.4240E-07,2.4128E-07,2.3973E-07,2.3622E-07,2.3303E-07,2.2705E-07,2.1607E-07,1.9792E-07,1.6492E-07,1.3455E-07,1.0955E-07,9.0057E-08,7.7060E-08,6.5648E-08,5.6192E-08,4.7992E-08,4.1523E-08,3.1671E-08,2.5481E-08,2.1970E-08,1.9875E-08,1.8618E-08,1.7495E-08,1.6696E-08,1.5907E-08,1.4954E-08,1.3761E-08,1.2729E-08,1.1888E-08,1.1232E-08,1.0433E-08,9.8406E-09,9.2648E-09,8.3202E-09,6.7846E-09,4.4714E-09,2.5860E-09,1.5619E-09,1.0461E-09\n\"MI2\",\"ppmV\",1.6940E-08,1.4240E-08,1.2687E-08,1.1498E-08,1.0426E-08,9.5480E-09,8.6463E-09,7.7189E-09,6.9374E-09,6.1871E-09,5.4565E-09,4.7275E-09,3.9523E-09,3.2110E-09,2.6029E-09,2.0279E-09,1.4769E-09,1.0552E-09,7.3436E-10,4.6418E-10,3.5483E-10,2.8225E-10,2.0660E-10,1.7607E-10,1.6565E-10,1.5777E-10,1.4585E-10,1.2075E-10,9.5783E-11,7.1341E-11,4.8476E-11,3.4307E-11,2.7517E-11,2.0424E-11,1.2930E-11,6.2969E-12,2.5170E-12,2.1117E-13,1.4089E-14,1.8773E-16,2.9747E-19,4.4512E-22,6.7018E-25,5.5357E-25\n\"MIB\",\"ppmV\",2.7923E-08,2.3909E-08,2.1523E-08,1.9582E-08,1.7779E-08,1.6263E-08,1.4739E-08,1.3221E-08,1.1907E-08,1.0605E-08,9.3224E-09,8.0149E-09,6.6848E-09,5.4243E-09,4.3556E-09,3.3352E-09,2.4186E-09,1.7173E-09,1.1823E-09,7.7115E-10,5.8511E-10,4.6503E-10,3.4607E-10,2.9583E-10,2.7659E-10,2.6128E-10,2.3980E-10,1.9967E-10,1.5850E-10,1.1985E-10,8.3506E-11,6.0594E-11,4.7808E-11,3.5552E-11,2.2620E-11,1.1410E-11,4.5985E-12,5.3052E-13,5.1769E-14,1.0517E-15,1.6775E-18,2.6419E-21,3.8536E-24,9.3197E-25\n\"MIC\",\"ppmV\",1.3780E-07,1.2357E-07,1.1427E-07,1.0615E-07,9.8261E-08,9.1331E-08,8.4212E-08,7.6917E-08,7.0397E-08,6.3767E-08,5.6922E-08,4.9779E-08,4.2387E-08,3.5251E-08,2.8861E-08,2.2478E-08,1.6628E-08,1.2061E-08,8.6387E-09,5.9638E-09,4.5882E-09,3.7114E-09,2.8833E-09,2.4742E-09,2.2987E-09,2.1457E-09,1.9556E-09,1.6511E-09,1.3336E-09,1.0305E-09,7.3888E-10,5.5793E-10,4.4130E-10,3.3393E-10,2.1440E-10,1.0730E-10,3.9590E-11,5.4368E-12,8.2913E-13,3.3170E-14,4.8952E-16,8.2191E-18,1.1781E-19,2.4306E-21\n\"ASO4J\",\"ug 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2E-09,4.6608E-09,7.4314E-09\n\"SVMT5\",\"ppmV\",4.8356E-07,5.0431E-07,5.1359E-07,5.2087E-07,5.2923E-07,5.3987E-07,5.5586E-07,5.8286E-07,6.1104E-07,6.4214E-07,6.8417E-07,7.4802E-07,8.7266E-07,1.0246E-06,1.1740E-06,1.2926E-06,1.5263E-06,1.7630E-06,1.8674E-06,1.8693E-06,1.7061E-06,1.4437E-06,1.3389E-06,1.2952E-06,1.2595E-06,1.2294E-06,1.2258E-06,1.2035E-06,1.1711E-06,1.1215E-06,1.0562E-06,9.6050E-07,8.3999E-07,7.3064E-07,6.2562E-07,5.2634E-07,4.4151E-07,3.8326E-07,3.4404E-07,3.1024E-07,2.7498E-07,2.6209E-07,2.8264E-07,3.7289E-07\n\"SVMT6\",\"ppmV\",9.7057E-07,1.0127E-06,1.0316E-06,1.0466E-06,1.0637E-06,1.0857E-06,1.1188E-06,1.1749E-06,1.2334E-06,1.2976E-06,1.3840E-06,1.5148E-06,1.7697E-06,2.0816E-06,2.3909E-06,2.6378E-06,3.1345E-06,3.6437E-06,3.8571E-06,3.8616E-06,3.5252E-06,2.9538E-06,2.7494E-06,2.6728E-06,2.6125E-06,2.5701E-06,2.5975E-06,2.5994E-06,2.6020E-06,2.5741E-06,2.5488E-06,2.5050E-06,2.4157E-06,2.3500E-06,2.3131E-06,2.2707E-06,2.2535E-06,2.3055E-06,2.3503E-06,2.2629E-06,2.1006E-06,1.9871E-06,1.8551E-06,1.7686E-06\n" }, { "path": "PREP/bcon/src/profile/avprofile_racm_ae6_aq_derived_from_cb6r3m_ae7_kmtbr_hemi2016_v53beta2_m3dry_col051_row068.csv", "content": "#\n#\n# The vertical profiles in this file were derived from a simulation with the\n# hemispheric version of CMAQv5.3 beta2 for the year 2016 and represent the annual\n# average values at the model grid cell closest to lat 37N, lon -157W. As such,\n# they are reflective of conditions in a remote marine environment.\n# The model simulations were performed with the CB6R3M_AE7_KMTBR chemical mechanism and\n# the annual average model outputs were mapped to the RACM_AE6_AQ chemical mechanism\n# Model version: CMAQv5.3 beta2 (February 2018), including full halogen and DMS chemistry\n# Grid spacing: 108 x 108 km on a polar stereographic grid covering the northern hemisphere\n# Vertical layers: 44\n# Meteorological fields: WRF3.8\n# Chemical mechanism: CB6R3M_AE7_KMTBR (mapped to RACM_AE6_AQ)\n# Dry Deposition: M3DRY\n# Top level pressure: 50 hPa\n# The vertical sigma levels used in the simulations were 1.0, 0.9975, 0.9946, 0.9913, 0.9875, 0.9831, 0.9781, 0.9723, 0.9657, 0.958, 0.9492, 0.9391, 0.9275, 0.9141, 0.8987, 0.881, 0.8607, 0.8373, 0.8104, 0.7795, 0.7439, 0.7066, 0.6693, 0.632, 0.5946, 0.5573, 0.52, 0.4827, 0.4454, 0.4081, 0.3708, 0.3352, 0.3013, 0.269, 0.2383, 0.2089, 0.181, 0.1543, 0.1289, 0.1047, 0.0816, 0.0596, 0.0386, 0.0186, 0.\n# The hourly meteorological and air quality fields used to derive these profiles\n# are archived at\n# /asm/ROMO/met/MCIP/WRFv3.8_108NHEMI2_2016_44aL/v4.3\n# /asm/gsarwar/hemisphere/cmaqv53_beta_official/halogen/RUN_C\nVNAME,UNITS,LAYER01,LAYER02,LAYER03,LAYER04,LAYER05,LAYER06,LAYER07,LAYER08,LAYER09,LAYER10,LAYER11,LAYER12,LAYER13,LAYER14,LAYER15,LAYER16,LAYER17,LAYER18,LAYER19,LAYER20,LAYER21,LAYER22,LAYER23,LAYER24,LAYER25,LAYER26,LAYER27,LAYER28,LAYER29,LAYER30,LAYER31,LAYER32,LAYER33,LAYER34,LAYER35,LAYER36,LAYER37,LAYER38,LAYER39,LAYER40,LAYER41,LAYER42,LAYER43,LAYER44\n\"PRES\",\"Pa\",1.0181E+05,1.0155E+05,1.0124E+05,1.0090E+05,1.0050E+05,1.0004E+05,9.9512E+04,9.8907E+04,9.8209E+04,9.7404E+04,9.6482E+04,9.5424E+04,9.4205E+04,9.2801E+04,9.1188E+04,8.9338E+04,8.7211E+04,8.4764E+04,8.1955E+04,7.8726E+04,7.5189E+04,7.1571E+04,6.7955E+04,6.4335E+04,6.0716E+04,5.7103E+04,5.3491E+04,4.9880E+04,4.6270E+04,4.2660E+04,3.9134E+04,3.5772E+04,3.2571E+04,2.9525E+04,2.6619E+04,2.3849E+04,2.1210E+04,1.8691E+04,1.6294E+04,1.4007E+04,1.1827E+04,9.7480E+03,7.7657E+03,5.8994E+03\n\"ZH\",\"m\",1.0185E+01,3.2201E+01,5.7525E+01,8.6591E+01,1.2025E+02,1.5896E+02,2.0359E+02,2.5506E+02,3.1470E+02,3.8391E+02,4.6373E+02,5.5608E+02,6.6344E+02,7.8847E+02,9.3399E+02,1.1036E+03,1.3023E+03,1.5362E+03,1.8123E+03,2.1402E+03,2.5137E+03,2.9121E+03,3.3279E+03,3.7633E+03,4.2196E+03,4.6982E+03,5.2024E+03,5.7352E+03,6.3003E+03,6.9023E+03,7.5321E+03,8.1761E+03,8.8360E+03,9.5136E+03,1.0214E+04,1.0942E+04,1.1705E+04,1.2513E+04,1.3380E+04,1.4326E+04,1.5376E+04,1.6570E+04,1.7970E+04,1.9672E+04\n\"ZF\",\"m\",2.0375E+01,4.4047E+01,7.1039E+01,1.0220E+02,1.3838E+02,1.7964E+02,2.2768E+02,2.8261E+02,3.4703E+02,4.2110E+02,5.0673E+02,6.0590E+02,7.2159E+02,8.5611E+02,1.0129E+03,1.1957E+03,1.4108E+03,1.6641E+03,1.9638E+03,2.3214E+03,2.7111E+03,3.1176E+03,3.5423E+03,3.9880E+03,4.4542E+03,4.9446E+03,5.4620E+03,6.0097E+03,6.5917E+03,7.2132E+03,7.8487E+03,8.4986E+03,9.1656E+03,9.8509E+03,1.0564E+04,1.1305E+04,1.2087E+04,1.2919E+04,1.3819E+04,1.4810E+04,1.5921E+04,1.7203E+04,1.8737E+04,2.0629E+04\n\"NO2\",\"ppmV\",6.6416E-05,6.6871E-05,6.6995E-05,6.6251E-05,6.4791E-05,6.2946E-05,6.0125E-05,5.6347E-05,5.2051E-05,4.6051E-05,4.0643E-05,3.4908E-05,2.8844E-05,2.3595E-05,1.9684E-05,1.6852E-05,1.5218E-05,1.4624E-05,1.4303E-05,1.4142E-05,1.4275E-05,1.4340E-05,1.4250E-05,1.4080E-05,1.3700E-05,1.3191E-05,1.2747E-05,1.2518E-05,1.2453E-05,1.2474E-05,1.2500E-05,1.2349E-05,1.2799E-05,1.4980E-05,1.9595E-05,2.7242E-05,3.8982E-05,5.4613E-05,6.8501E-05,7.6555E-05,7.5536E-05,6.2896E-05,4.7995E-05,4.3004E-05\n\"NO\",\"ppmV\",7.2125E-06,7.3708E-06,7.4578E-06,7.4445E-06,7.3594E-06,7.2401E-06,7.0303E-06,6.6917E-06,6.3132E-06,5.6629E-06,5.0430E-06,4.2686E-06,3.4368E-06,2.7868E-06,2.3603E-06,2.1141E-06,2.1080E-06,2.2536E-06,2.4169E-06,2.6511E-06,2.8859E-06,3.1132E-06,3.2768E-06,3.4103E-06,3.4596E-06,3.4505E-06,3.4404E-06,3.4880E-06,3.5884E-06,3.7997E-06,4.2118E-06,4.7966E-06,5.6269E-06,7.1106E-06,9.8309E-06,1.4418E-05,2.1712E-05,3.2106E-05,4.2984E-05,5.0088E-05,4.8329E-05,3.3660E-05,2.1467E-05,1.6828E-05\n\"O3P\",\"ppmV\",3.8565E-11,3.8774E-11,3.9017E-11,3.9304E-11,3.9635E-11,4.0010E-11,4.0440E-11,4.0903E-11,4.1518E-11,4.2195E-11,4.2961E-11,4.3842E-11,4.4956E-11,4.6991E-11,5.0488E-11,5.5970E-11,6.3681E-11,7.4011E-11,8.6481E-11,1.0145E-10,1.1685E-10,1.3198E-10,1.4992E-10,1.7002E-10,1.9215E-10,2.1593E-10,2.4530E-10,2.7879E-10,3.1688E-10,3.6406E-10,4.2162E-10,4.8799E-10,5.6794E-10,6.8038E-10,8.5598E-10,1.1456E-09,1.6585E-09,2.5890E-09,4.2102E-09,6.8171E-09,1.2136E-08,3.5512E-08,1.0624E-07,3.1938E-07\n\"O3\",\"ppmV\",2.9175E-02,2.9212E-02,2.9237E-02,2.9261E-02,2.9282E-02,2.9294E-02,2.9285E-02,2.9268E-02,2.9236E-02,2.9183E-02,2.9094E-02,2.8951E-02,2.8814E-02,2.8780E-02,2.8908E-02,2.9365E-02,3.0223E-02,3.1446E-02,3.2937E-02,3.4518E-02,3.5985E-02,3.7176E-02,3.8610E-02,4.0036E-02,4.1363E-02,4.2594E-02,4.4067E-02,4.5605E-02,4.7165E-02,4.9155E-02,5.1509E-02,5.3923E-02,5.6682E-02,6.0912E-02,6.7728E-02,7.8214E-02,9.5268E-02,1.2097E-01,1.5442E-01,1.8961E-01,2.4869E-01,5.0406E-01,9.6055E-01,1.5983E+00\n\"NO3\",\"ppmV\",6.3239E-07,6.3023E-07,6.3151E-07,6.4556E-07,6.5635E-07,6.6224E-07,6.6575E-07,6.6570E-07,6.5354E-07,6.3346E-07,5.9811E-07,5.4948E-07,5.0238E-07,4.5992E-07,4.4629E-07,5.0144E-07,6.6674E-07,8.9469E-07,1.0479E-06,1.1333E-06,1.1645E-06,1.1331E-06,1.0786E-06,9.5645E-07,7.9273E-07,6.1975E-07,4.7106E-07,3.5094E-07,2.4854E-07,1.6729E-07,1.1407E-07,8.2662E-08,6.7138E-08,6.1447E-08,6.1893E-08,6.7501E-08,7.9188E-08,9.4982E-08,1.1225E-07,1.2714E-07,1.5253E-07,2.7354E-07,4.6465E-07,7.2979E-07\n\"O1D\",\"ppmV\",1.6680E-16,1.6824E-16,1.6969E-16,1.7139E-16,1.7336E-16,1.7563E-16,1.7820E-16,1.8114E-16,1.8492E-16,1.8893E-16,1.9354E-16,1.9842E-16,2.0425E-16,2.1446E-16,2.3020E-16,2.5385E-16,2.8813E-16,3.3418E-16,3.8904E-16,4.5539E-16,5.2169E-16,5.8509E-16,6.5957E-16,7.4102E-16,8.2638E-16,9.1601E-16,1.0270E-15,1.1484E-15,1.2803E-15,1.4361E-15,1.6180E-15,1.8138E-15,2.0264E-15,2.3043E-15,2.7207E-15,3.3824E-15,4.5020E-15,6.4212E-15,9.5835E-15,1.4107E-14,2.2197E-14,5.6672E-14,1.4333E-13,3.5583E-13\n\"HO\",\"ppmV\",6.0257E-08,6.0452E-08,6.0890E-08,6.1268E-08,6.1599E-08,6.1899E-08,6.2101E-08,6.1966E-08,6.1872E-08,6.0840E-08,5.9571E-08,5.7520E-08,5.4761E-08,5.3234E-08,5.3107E-08,5.3649E-08,5.4789E-08,5.6292E-08,5.7351E-08,5.8706E-08,6.0053E-08,6.1655E-08,6.4520E-08,6.7518E-08,7.0455E-08,7.2308E-08,7.3371E-08,7.3707E-08,7.3616E-08,7.4039E-08,7.5315E-08,7.6337E-08,7.7136E-08,8.0977E-08,9.0723E-08,1.0808E-07,1.3565E-07,1.6986E-07,2.0080E-07,2.1621E-07,2.1041E-07,1.7666E-07,2.0241E-07,3.2347E-07\n\"HO2\",\"ppmV\",4.5776E-06,4.6298E-06,4.6529E-06,4.6612E-06,4.6692E-06,4.6783E-06,4.6847E-06,4.6863E-06,4.6817E-06,4.6378E-06,4.6082E-06,4.5504E-06,4.4590E-06,4.3915E-06,4.3729E-06,4.4360E-06,4.5784E-06,4.7666E-06,4.9391E-06,5.1092E-06,5.2609E-06,5.3674E-06,5.4993E-06,5.6002E-06,5.6491E-06,5.6427E-06,5.6104E-06,5.5505E-06,5.4659E-06,5.3639E-06,5.2341E-06,5.0251E-06,4.7401E-06,4.4441E-06,4.1458E-06,3.7731E-06,3.2729E-06,2.6874E-06,2.1534E-06,1.7736E-06,1.6658E-06,1.8948E-06,2.7505E-06,4.7410E-06\n\"H2O2\",\"ppmV\",5.1128E-04,5.3838E-04,5.5228E-04,5.6388E-04,5.7763E-04,5.9353E-04,6.1284E-04,6.3553E-04,6.5406E-04,6.7245E-04,6.9578E-04,7.2476E-04,7.6345E-04,7.9405E-04,8.1356E-04,8.3012E-04,8.4774E-04,8.5946E-04,8.5617E-04,8.4635E-04,8.3386E-04,8.1462E-04,8.0074E-04,7.7892E-04,7.4954E-04,7.1234E-04,6.7188E-04,6.2844E-04,5.8534E-04,5.3936E-04,4.9701E-04,4.5885E-04,4.1729E-04,3.7210E-04,3.2271E-04,2.6247E-04,1.9002E-04,1.1687E-04,6.1086E-05,3.2219E-05,2.3866E-05,2.5105E-05,3.9866E-05,7.2061E-05\n\"N2O5\",\"ppmV\",1.4375E-07,1.4709E-07,1.5167E-07,1.5903E-07,1.6283E-07,1.6500E-07,1.6458E-07,1.6057E-07,1.5183E-07,1.3934E-07,1.2930E-07,1.1708E-07,1.0381E-07,8.9736E-08,7.8628E-08,8.0162E-08,9.9393E-08,1.2383E-07,1.4304E-07,1.5891E-07,1.7690E-07,1.9811E-07,2.2334E-07,2.5308E-07,2.8381E-07,3.1261E-07,3.4115E-07,3.9116E-07,4.5317E-07,5.0107E-07,5.2425E-07,5.2036E-07,5.5098E-07,6.8349E-07,9.4135E-07,1.3491E-06,1.9204E-06,2.5556E-06,2.9779E-06,3.1016E-06,3.1708E-06,3.5271E-06,3.4359E-06,3.3245E-06\n\"HNO3\",\"ppmV\",1.1265E-05,1.1896E-05,1.2122E-05,1.2228E-05,1.2284E-05,1.2123E-05,1.1850E-05,1.1513E-05,1.0957E-05,1.0199E-05,9.9439E-06,9.8369E-06,9.7639E-06,1.0503E-05,1.2482E-05,1.7998E-05,2.9995E-05,4.7323E-05,6.3910E-05,7.7114E-05,8.3643E-05,8.4341E-05,8.4299E-05,8.2708E-05,7.8905E-05,7.2852E-05,6.8405E-05,6.4564E-05,6.0652E-05,5.5594E-05,5.5257E-05,5.5122E-05,5.4123E-05,5.4742E-05,5.9479E-05,7.0813E-05,8.7695E-05,1.1294E-04,1.3073E-04,1.4017E-04,1.4997E-04,1.6858E-04,1.9492E-04,1.9109E-04\n\"HONO\",\"ppmV\",3.3428E-07,3.4958E-07,3.5813E-07,3.6052E-07,3.5749E-07,3.5063E-07,3.3733E-07,3.1688E-07,2.9525E-07,2.6246E-07,2.2851E-07,1.8710E-07,1.4384E-07,1.1027E-07,8.7757E-08,7.3392E-08,6.7131E-08,6.6303E-08,6.6287E-08,6.7646E-08,6.9351E-08,7.0788E-08,7.1929E-08,7.2739E-08,7.1536E-08,6.8091E-08,6.3856E-08,6.0481E-08,5.8345E-08,5.8221E-08,6.1497E-08,6.7660E-08,7.9080E-08,1.0356E-07,1.5148E-07,2.3827E-07,3.8660E-07,5.9639E-07,7.6695E-07,7.8086E-07,5.6439E-07,2.1447E-07,8.6833E-08,5.8682E-08\n\"HNO4\",\"ppmV\",3.5945E-07,3.7887E-07,3.9310E-07,4.0144E-07,4.0714E-07,4.1237E-07,4.1309E-07,4.0806E-07,4.0122E-07,3.8022E-07,3.6528E-07,3.4873E-07,3.3335E-07,3.1873E-07,3.0628E-07,2.9419E-07,2.9272E-07,3.0072E-07,3.1366E-07,3.5039E-07,4.1949E-07,5.2770E-07,6.9530E-07,9.5198E-07,1.3183E-06,1.8456E-06,2.6647E-06,3.9817E-06,6.0712E-06,9.4194E-06,1.4663E-05,2.1378E-05,2.8056E-05,3.3560E-05,3.7713E-05,3.9710E-05,3.8768E-05,3.4780E-05,2.8660E-05,2.2662E-05,1.9871E-05,2.1243E-05,2.2100E-05,2.1869E-05\n\"SO2\",\"ppmV\",5.4355E-05,5.7123E-05,5.8149E-05,5.8463E-05,5.8357E-05,5.8007E-05,5.6671E-05,5.5215E-05,5.3257E-05,5.0326E-05,4.6945E-05,4.2034E-05,3.5603E-05,2.6485E-05,1.8360E-05,1.5769E-05,1.8670E-05,2.1209E-05,2.4521E-05,2.7210E-05,2.7597E-05,2.6593E-05,2.6638E-05,2.5707E-05,2.4190E-05,2.2350E-05,2.0865E-05,2.0084E-05,2.0071E-05,2.0049E-05,1.8998E-05,1.7031E-05,1.4960E-05,1.3414E-05,1.1827E-05,1.0114E-05,8.7051E-06,7.1918E-06,5.6031E-06,4.0243E-06,2.7778E-06,1.8096E-06,1.1213E-06,8.0725E-07\n\"SULF\",\"ppmV\",1.6687E-07,1.7535E-07,1.7721E-07,1.7677E-07,1.7418E-07,1.7016E-07,1.6121E-07,1.4958E-07,1.3712E-07,1.2094E-07,1.0714E-07,8.9856E-08,7.2616E-08,5.4124E-08,3.7047E-08,3.4783E-08,4.5198E-08,5.9581E-08,6.8019E-08,7.5408E-08,7.8893E-08,7.6362E-08,7.7664E-08,7.7982E-08,7.9026E-08,7.8998E-08,7.7740E-08,7.6924E-08,7.9078E-08,8.1761E-08,8.1616E-08,7.8394E-08,7.6351E-08,7.6352E-08,8.1190E-08,9.1297E-08,1.0113E-07,1.0351E-07,9.5228E-08,7.9420E-08,6.2146E-08,4.3982E-08,3.5559E-08,4.4326E-08\n\"ACO3\",\"ppmV\",1.0728E-07,1.0575E-07,1.0350E-07,1.0097E-07,9.8214E-08,9.5239E-08,9.2255E-08,8.9461E-08,8.6931E-08,8.5824E-08,8.4531E-08,8.3610E-08,8.3536E-08,8.5455E-08,8.9451E-08,9.5305E-08,1.0193E-07,1.1141E-07,1.1903E-07,1.2288E-07,1.2148E-07,1.1758E-07,1.1583E-07,1.1178E-07,1.0572E-07,9.9327E-08,9.3837E-08,8.9390E-08,8.7095E-08,8.6498E-08,8.7375E-08,8.8460E-08,8.8587E-08,8.6356E-08,8.0811E-08,7.0465E-08,5.5109E-08,3.8218E-08,2.3127E-08,1.3485E-08,9.4856E-09,8.3730E-09,8.3286E-09,8.9411E-09\n\"MO2\",\"ppmV\",8.6952E-06,7.4168E-06,7.1223E-06,7.2182E-06,7.4120E-06,7.5927E-06,7.8101E-06,8.1119E-06,8.4784E-06,9.2304E-06,9.2710E-06,9.2215E-06,9.1680E-06,9.2017E-06,9.3323E-06,9.3486E-06,9.0891E-06,8.6307E-06,8.1396E-06,7.6123E-06,7.1224E-06,6.6961E-06,6.3533E-06,6.0576E-06,5.8203E-06,5.5769E-06,5.3195E-06,4.9929E-06,4.6170E-06,4.1958E-06,3.7361E-06,3.2642E-06,2.7926E-06,2.3178E-06,1.8439E-06,1.3884E-06,9.7968E-07,6.6294E-07,4.8645E-07,4.0785E-07,4.1134E-07,5.6500E-07,8.9815E-07,1.4845E-06\n\"PAN\",\"ppmV\",3.8243E-05,3.8806E-05,3.9058E-05,3.9241E-05,3.9404E-05,3.9558E-05,3.9699E-05,3.9825E-05,3.9932E-05,4.0051E-05,4.0231E-05,4.0538E-05,4.1056E-05,4.2247E-05,4.4205E-05,4.7114E-05,5.0964E-05,5.5650E-05,6.1536E-05,6.7639E-05,7.4276E-05,8.1608E-05,9.2102E-05,1.0601E-04,1.2269E-04,1.4159E-04,1.6071E-04,1.7612E-04,1.8694E-04,1.9341E-04,1.9739E-04,1.9928E-04,1.9854E-04,1.9740E-04,1.9772E-04,1.9429E-04,1.8459E-04,1.6792E-04,1.4105E-04,1.0642E-04,8.3079E-05,6.9653E-05,5.7747E-05,5.0248E-05\n\"PAA\",\"ppmV\",4.3532E-06,4.6037E-06,4.7220E-06,4.8154E-06,4.9123E-06,5.0174E-06,5.1454E-06,5.3221E-06,5.5240E-06,5.7742E-06,6.0594E-06,6.4017E-06,6.8504E-06,7.4089E-06,8.1207E-06,8.9700E-06,9.9642E-06,1.1011E-05,1.1947E-05,1.2607E-05,1.3006E-05,1.3244E-05,1.3781E-05,1.4323E-05,1.4790E-05,1.5375E-05,1.6151E-05,1.6960E-05,1.7750E-05,1.8299E-05,1.8608E-05,1.8730E-05,1.8571E-05,1.7914E-05,1.6436E-05,1.3372E-05,8.9318E-06,4.5201E-06,1.6731E-06,6.6461E-07,4.6454E-07,5.1067E-07,6.0664E-07,6.6332E-07\n\"ORA2\",\"ppmV\",1.3605E-05,1.4369E-05,1.4778E-05,1.5136E-05,1.5550E-05,1.6066E-05,1.6756E-05,1.7737E-05,1.8752E-05,1.9958E-05,2.1399E-05,2.3199E-05,2.5746E-05,2.8780E-05,3.2251E-05,3.5546E-05,3.9636E-05,4.3827E-05,4.7092E-05,4.9042E-05,4.9284E-05,4.8403E-05,4.9417E-05,5.0776E-05,5.1628E-05,5.2657E-05,5.4240E-05,5.5289E-05,5.5611E-05,5.4577E-05,5.3349E-05,5.2136E-05,5.0333E-05,4.7461E-05,4.3246E-05,3.6361E-05,2.6518E-05,1.5820E-05,7.2913E-06,2.8562E-06,1.6716E-06,1.4615E-06,1.5007E-06,1.5252E-06\n\"RCO3\",\"ppmV\",2.3659E-08,2.3085E-08,2.2546E-08,2.2011E-08,2.1440E-08,2.0811E-08,2.0167E-08,1.9548E-08,1.8964E-08,1.8664E-08,1.8298E-08,1.7982E-08,1.7812E-08,1.7870E-08,1.8226E-08,1.8743E-08,1.9467E-08,2.0470E-08,2.1019E-08,2.0904E-08,2.0019E-08,1.8776E-08,1.8012E-08,1.7468E-08,1.6979E-08,1.6888E-08,1.7354E-08,1.8174E-08,1.9212E-08,2.0124E-08,2.1025E-08,2.1745E-08,2.2215E-08,2.2015E-08,2.0764E-08,1.8119E-08,1.4111E-08,9.8102E-09,6.0356E-09,3.5718E-09,2.5525E-09,2.3566E-09,2.1842E-09,2.0781E-09\n\"PPN\",\"ppmV\",7.8161E-06,7.8926E-06,7.9267E-06,7.9514E-06,7.9714E-06,7.9893E-06,8.0037E-06,8.0170E-06,8.0248E-06,8.0296E-06,8.0331E-06,8.0443E-06,8.0662E-06,8.1595E-06,8.3115E-06,8.5284E-06,8.8270E-06,9.1799E-06,9.5920E-06,9.9217E-06,1.0204E-05,1.0456E-05,1.0834E-05,1.1200E-05,1.1496E-05,1.1804E-05,1.2089E-05,1.2330E-05,1.2486E-05,1.2526E-05,1.2455E-05,1.2331E-05,1.2079E-05,1.1796E-05,1.1567E-05,1.0610E-05,8.6273E-06,5.9131E-06,3.5697E-06,1.9382E-06,1.3862E-06,1.2815E-06,1.0554E-06,8.0686E-07\n\"HCHO\",\"ppmV\",2.5795E-04,2.7193E-04,2.7877E-04,2.8402E-04,2.8898E-04,2.9310E-04,2.9677E-04,2.9930E-04,2.9971E-04,2.9839E-04,2.9638E-04,2.9094E-04,2.8277E-04,2.7236E-04,2.6224E-04,2.5327E-04,2.4583E-04,2.3869E-04,2.2838E-04,2.1720E-04,2.0510E-04,1.9329E-04,1.8246E-04,1.7096E-04,1.5938E-04,1.4647E-04,1.3313E-04,1.1970E-04,1.0676E-04,9.4700E-05,8.4285E-05,7.5296E-05,6.7521E-05,6.1294E-05,5.6442E-05,5.1736E-05,4.6112E-05,3.9140E-05,3.1669E-05,2.4434E-05,1.8438E-05,1.2607E-05,1.0869E-05,1.2368E-05\n\"OP1\",\"ppmV\",2.1265E-04,2.2404E-04,2.2981E-04,2.3473E-04,2.4031E-04,2.4652E-04,2.5496E-04,2.6659E-04,2.7956E-04,2.9738E-04,3.1988E-04,3.5201E-04,3.9474E-04,4.3913E-04,4.7629E-04,5.0333E-04,5.1665E-04,5.1440E-04,5.0434E-04,4.8549E-04,4.6116E-04,4.3809E-04,4.1876E-04,3.9998E-04,3.8369E-04,3.6829E-04,3.5349E-04,3.3531E-04,3.1436E-04,2.8869E-04,2.5990E-04,2.3151E-04,2.0323E-04,1.7232E-04,1.3846E-04,1.0012E-04,6.0030E-05,2.6926E-05,1.0243E-05,5.1951E-06,4.3639E-06,5.6536E-06,1.0213E-05,1.8874E-05\n\"MOH\",\"ppmV\",4.3044E-05,4.5316E-05,4.6473E-05,4.7484E-05,4.8688E-05,5.0181E-05,5.2232E-05,5.4935E-05,5.7849E-05,6.1863E-05,6.7482E-05,7.5785E-05,8.7228E-05,9.9928E-05,1.1194E-04,1.2064E-04,1.2606E-04,1.2818E-04,1.2763E-04,1.2412E-04,1.1854E-04,1.1284E-04,1.1063E-04,1.1062E-04,1.1165E-04,1.1429E-04,1.1819E-04,1.2073E-04,1.2163E-04,1.2109E-04,1.2019E-04,1.2172E-04,1.2370E-04,1.2435E-04,1.2369E-04,1.1429E-04,9.3141E-05,6.5659E-05,4.0061E-05,2.0939E-05,1.2361E-05,8.3582E-06,6.3053E-06,5.2752E-06\n\"OP2\",\"ppmV\",3.3632E-05,3.5771E-05,3.6782E-05,3.7583E-05,3.8381E-05,3.9177E-05,4.0063E-05,4.1176E-05,4.2431E-05,4.3944E-05,4.5684E-05,4.7697E-05,5.0173E-05,5.3095E-05,5.6338E-05,5.9061E-05,6.1315E-05,6.2998E-05,6.3443E-05,6.2780E-05,6.0895E-05,5.8909E-05,5.9074E-05,5.9659E-05,6.0377E-05,6.1569E-05,6.2910E-05,6.3691E-05,6.3653E-05,6.2489E-05,6.0339E-05,5.7425E-05,5.3731E-05,4.8765E-05,4.2221E-05,3.2513E-05,2.0341E-05,9.3402E-06,3.0839E-06,9.9336E-07,6.1620E-07,6.5461E-07,7.8324E-07,8.7889E-07\n\"ETHP\",\"ppmV\",5.6812E-10,5.4733E-10,5.4110E-10,5.3762E-10,5.3525E-10,5.3368E-10,5.3237E-10,5.3200E-10,5.3288E-10,5.3171E-10,5.2998E-10,5.2549E-10,5.2096E-10,5.1736E-10,5.1344E-10,5.0248E-10,4.7514E-10,4.4980E-10,4.2298E-10,3.9121E-10,3.2329E-10,2.6804E-10,2.3999E-10,2.1981E-10,2.0586E-10,1.9362E-10,1.8511E-10,1.7906E-10,1.7521E-10,1.6593E-10,1.5697E-10,1.5243E-10,1.4773E-10,1.3913E-10,1.3388E-10,1.2701E-10,1.0981E-10,7.8586E-11,4.2323E-11,9.5779E-12,1.2805E-12,5.0672E-13,3.0678E-13,9.5114E-14\n\"HC3P\",\"ppmV\",3.7600E-11,3.7360E-11,3.7342E-11,3.7305E-11,3.7250E-11,3.7197E-11,3.7087E-11,3.6945E-11,3.6782E-11,3.6351E-11,3.5839E-11,3.5283E-11,3.4865E-11,3.4439E-11,3.3954E-11,3.3495E-11,3.2554E-11,3.1511E-11,2.9856E-11,2.7840E-11,2.5257E-11,2.2616E-11,2.1047E-11,2.0044E-11,1.9194E-11,1.8348E-11,1.7632E-11,1.6730E-11,1.5702E-11,1.4485E-11,1.3347E-11,1.2349E-11,1.1467E-11,1.0725E-11,1.0333E-11,1.0041E-11,9.4996E-12,8.1251E-12,5.7989E-12,2.8960E-12,1.2877E-12,5.8053E-13,3.4181E-13,3.0759E-13\n\"ONIT\",\"ppmV\",2.3676E-05,2.4036E-05,2.4208E-05,2.4344E-05,2.4466E-05,2.4576E-05,2.4672E-05,2.4767E-05,2.4835E-05,2.4896E-05,2.4941E-05,2.4978E-05,2.5001E-05,2.5064E-05,2.5198E-05,2.5449E-05,2.5927E-05,2.6671E-05,2.7363E-05,2.7816E-05,2.8058E-05,2.8237E-05,2.8911E-05,2.9644E-05,3.0076E-05,3.0187E-05,3.0444E-05,3.1182E-05,3.1964E-05,3.2655E-05,3.3497E-05,3.4382E-05,3.5246E-05,3.6589E-05,3.8856E-05,4.1660E-05,4.4362E-05,4.6752E-05,4.6741E-05,4.4856E-05,4.3046E-05,4.2004E-05,4.1511E-05,4.1157E-05\n\"ORA1\",\"ppmV\",2.4966E-06,2.6518E-06,2.7347E-06,2.8058E-06,2.8843E-06,2.9814E-06,3.1082E-06,3.2898E-06,3.4700E-06,3.6544E-06,3.8641E-06,4.1128E-06,4.4779E-06,4.9307E-06,5.5120E-06,6.1311E-06,7.0820E-06,8.0481E-06,8.9337E-06,9.5902E-06,1.0006E-05,1.0131E-05,1.0618E-05,1.1279E-05,1.1861E-05,1.2517E-05,1.3392E-05,1.4210E-05,1.5011E-05,1.5788E-05,1.6670E-05,1.7636E-05,1.8513E-05,1.9692E-05,2.1685E-05,2.4394E-05,2.7583E-05,3.0310E-05,3.0495E-05,2.7826E-05,2.3997E-05,2.0253E-05,1.7856E-05,1.6978E-05\n\"CO\",\"ppmV\",7.5955E-02,7.5958E-02,7.5961E-02,7.5965E-02,7.5969E-02,7.5988E-02,7.6017E-02,7.6058E-02,7.6102E-02,7.6147E-02,7.6200E-02,7.6266E-02,7.6353E-02,7.6431E-02,7.6525E-02,7.6687E-02,7.6852E-02,7.7101E-02,7.7255E-02,7.7356E-02,7.7436E-02,7.7468E-02,7.7803E-02,7.8197E-02,7.8505E-02,7.8985E-02,7.9548E-02,7.9959E-02,8.0055E-02,7.9829E-02,7.9312E-02,7.8646E-02,7.7667E-02,7.6315E-02,7.4366E-02,7.1075E-02,6.5669E-02,5.8520E-02,5.0335E-02,4.1951E-02,3.6316E-02,3.1798E-02,2.7969E-02,2.6143E-02\n\"ALD\",\"ppmV\",3.2993E-06,3.4961E-06,3.5816E-06,3.6421E-06,3.6937E-06,3.7373E-06,3.7780E-06,3.8205E-06,3.8638E-06,3.9103E-06,3.9571E-06,3.9946E-06,4.0258E-06,4.0651E-06,4.0938E-06,4.0956E-06,4.0684E-06,4.0258E-06,3.9122E-06,3.7126E-06,3.4436E-06,3.2096E-06,3.0908E-06,2.9745E-06,2.8615E-06,2.7635E-06,2.6466E-06,2.5162E-06,2.3738E-06,2.2062E-06,2.0084E-06,1.8007E-06,1.5834E-06,1.3669E-06,1.1536E-06,9.1078E-07,6.2454E-07,3.5401E-07,1.6197E-07,4.7762E-08,1.5744E-08,8.3471E-09,5.3306E-09,3.0388E-09\n\"ACD\",\"ppmV\",1.3948E-05,1.4482E-05,1.4729E-05,1.4917E-05,1.5096E-05,1.5264E-05,1.5454E-05,1.5673E-05,1.5907E-05,1.6191E-05,1.6494E-05,1.6818E-05,1.7212E-05,1.7701E-05,1.8296E-05,1.8983E-05,1.9804E-05,2.0658E-05,2.1302E-05,2.1525E-05,2.1325E-05,2.1050E-05,2.1141E-05,2.1237E-05,2.1237E-05,2.1386E-05,2.1661E-05,2.1999E-05,2.2309E-05,2.2388E-05,2.2218E-05,2.1897E-05,2.1415E-05,2.0723E-05,1.9560E-05,1.7244E-05,1.3740E-05,9.9313E-06,6.6634E-06,4.2051E-06,2.9401E-06,2.0841E-06,1.2501E-06,8.2203E-07\n\"GLY\",\"ppmV\",2.5537E-07,2.6832E-07,2.7312E-07,2.7567E-07,2.7818E-07,2.7822E-07,2.7667E-07,2.7527E-07,2.7169E-07,2.6570E-07,2.5881E-07,2.5105E-07,2.4226E-07,2.3378E-07,2.2305E-07,2.2601E-07,2.4016E-07,2.5096E-07,2.6625E-07,2.7482E-07,2.7001E-07,2.6222E-07,2.6705E-07,2.6836E-07,2.6581E-07,2.6344E-07,2.6119E-07,2.5676E-07,2.4975E-07,2.3906E-07,2.2757E-07,2.1480E-07,2.0173E-07,1.9014E-07,1.8267E-07,1.7489E-07,1.5826E-07,1.2619E-07,8.1386E-08,3.5810E-08,1.4916E-08,6.2133E-09,3.0519E-09,2.3157E-09\n\"MGLY\",\"ppmV\",6.5773E-08,6.9345E-08,7.0775E-08,7.1633E-08,7.2315E-08,7.2493E-08,7.2139E-08,7.1882E-08,7.1429E-08,7.0383E-08,6.8797E-08,6.6420E-08,6.3719E-08,6.0198E-08,5.6251E-08,5.4195E-08,5.5289E-08,5.5414E-08,5.5552E-08,5.4325E-08,5.1054E-08,4.7860E-08,4.6957E-08,4.4676E-08,4.1922E-08,3.8618E-08,3.4784E-08,3.1015E-08,2.7478E-08,2.3657E-08,2.0046E-08,1.6866E-08,1.4357E-08,1.2528E-08,1.1268E-08,9.9664E-09,7.8799E-09,5.1047E-09,2.5147E-09,7.2007E-10,1.9692E-10,1.2191E-10,7.4357E-11,5.8247E-11\n\"ETH\",\"ppmV\",4.5334E-04,4.5337E-04,4.5339E-04,4.5340E-04,4.5336E-04,4.5338E-04,4.5335E-04,4.5343E-04,4.5335E-04,4.5298E-04,4.5212E-04,4.5125E-04,4.5044E-04,4.4929E-04,4.4765E-04,4.4637E-04,4.4436E-04,4.4266E-04,4.3946E-04,4.3437E-04,4.2818E-04,4.2223E-04,4.1901E-04,4.1602E-04,4.1290E-04,4.1197E-04,4.1169E-04,4.0892E-04,4.0380E-04,3.9702E-04,3.8862E-04,3.7915E-04,3.6724E-04,3.5368E-04,3.3886E-04,3.1718E-04,2.8553E-04,2.4667E-04,2.0175E-04,1.5201E-04,1.1769E-04,9.8593E-05,8.3365E-05,7.4939E-05\n\"EOH\",\"ppmV\",4.8736E-07,5.1500E-07,5.2604E-07,5.3333E-07,5.3977E-07,5.4571E-07,5.5212E-07,5.5981E-07,5.6917E-07,5.8084E-07,5.9488E-07,6.1435E-07,6.4601E-07,6.8986E-07,7.5830E-07,8.3772E-07,9.7557E-07,1.1558E-06,1.3056E-06,1.3915E-06,1.4046E-06,1.3780E-06,1.4153E-06,1.4580E-06,1.5025E-06,1.5503E-06,1.6233E-06,1.7221E-06,1.8429E-06,1.9604E-06,2.0679E-06,2.1654E-06,2.2518E-06,2.2951E-06,2.2723E-06,2.0567E-06,1.5895E-06,9.9747E-07,4.8242E-07,1.3382E-07,3.2627E-08,1.3080E-08,6.2428E-09,2.5258E-09\n\"MEK\",\"ppmV\",1.7301E-04,1.7958E-04,1.8290E-04,1.8571E-04,1.8870E-04,1.9207E-04,1.9616E-04,2.0152E-04,2.0694E-04,2.1342E-04,2.2127E-04,2.3111E-04,2.4494E-04,2.6231E-04,2.8300E-04,3.0590E-04,3.3282E-04,3.6061E-04,3.8266E-04,3.9887E-04,4.0734E-04,4.0949E-04,4.1856E-04,4.2774E-04,4.3355E-04,4.4088E-04,4.5008E-04,4.5691E-04,4.6129E-04,4.6150E-04,4.6071E-04,4.5885E-04,4.5460E-04,4.4811E-04,4.3848E-04,4.1574E-04,3.7429E-04,3.1437E-04,2.3532E-04,1.4665E-04,9.0187E-05,5.1031E-05,2.7422E-05,1.8680E-05\n\"KET\",\"ppmV\",1.7301E-04,1.7958E-04,1.8290E-04,1.8571E-04,1.8870E-04,1.9207E-04,1.9616E-04,2.0152E-04,2.0694E-04,2.1342E-04,2.2127E-04,2.3111E-04,2.4494E-04,2.6231E-04,2.8300E-04,3.0590E-04,3.3282E-04,3.6061E-04,3.8266E-04,3.9887E-04,4.0734E-04,4.0949E-04,4.1856E-04,4.2774E-04,4.3355E-04,4.4088E-04,4.5008E-04,4.5691E-04,4.6129E-04,4.6150E-04,4.6071E-04,4.5885E-04,4.5460E-04,4.4811E-04,4.3848E-04,4.1574E-04,3.7429E-04,3.1437E-04,2.3532E-04,1.4665E-04,9.0187E-05,5.1031E-05,2.7422E-05,1.8680E-05\n\"HC5\",\"ppmV\",4.8029E-04,4.8031E-04,4.8025E-04,4.8010E-04,4.7972E-04,4.7925E-04,4.7833E-04,4.7735E-04,4.7601E-04,4.7426E-04,4.7134E-04,4.6785E-04,4.6334E-04,4.5860E-04,4.5216E-04,4.4259E-04,4.3101E-04,4.2092E-04,4.0884E-04,3.9235E-04,3.7483E-04,3.5992E-04,3.5329E-04,3.4634E-04,3.3948E-04,3.3428E-04,3.2707E-04,3.1734E-04,3.0633E-04,2.9323E-04,2.7703E-04,2.5970E-04,2.3980E-04,2.1811E-04,1.9520E-04,1.6262E-04,1.1467E-04,6.3644E-05,2.6743E-05,5.7713E-06,1.1640E-06,7.2703E-07,6.4047E-07,1.8062E-07\n\"HC8\",\"ppmV\",4.8029E-04,4.8031E-04,4.8025E-04,4.8010E-04,4.7972E-04,4.7925E-04,4.7833E-04,4.7735E-04,4.7601E-04,4.7426E-04,4.7134E-04,4.6785E-04,4.6334E-04,4.5860E-04,4.5216E-04,4.4259E-04,4.3101E-04,4.2092E-04,4.0884E-04,3.9235E-04,3.7483E-04,3.5992E-04,3.5329E-04,3.4634E-04,3.3948E-04,3.3428E-04,3.2707E-04,3.1734E-04,3.0633E-04,2.9323E-04,2.7703E-04,2.5970E-04,2.3980E-04,2.1811E-04,1.9520E-04,1.6262E-04,1.1467E-04,6.3644E-05,2.6743E-05,5.7713E-06,1.1640E-06,7.2703E-07,6.4047E-07,1.8062E-07\n\"ACT\",\"ppmV\",5.9216E-05,6.1870E-05,6.3239E-05,6.4407E-05,6.5695E-05,6.7192E-05,6.9070E-05,7.1577E-05,7.4086E-05,7.7074E-05,8.0693E-05,8.5205E-05,9.1684E-05,9.9688E-05,1.0914E-04,1.1944E-04,1.3180E-04,1.4491E-04,1.5562E-04,1.6437E-04,1.7076E-04,1.7483E-04,1.8264E-04,1.9112E-04,1.9822E-04,2.0647E-04,2.1651E-04,2.2494E-04,2.3145E-04,2.3479E-04,2.3728E-04,2.3986E-04,2.4163E-04,2.4209E-04,2.3901E-04,2.2524E-04,1.9697E-04,1.5650E-04,1.0699E-04,5.6294E-05,2.9127E-05,1.3512E-05,5.4206E-06,2.9543E-06\n\"HC3\",\"ppmV\",5.1761E-05,5.1764E-05,5.1762E-05,5.1756E-05,5.1734E-05,5.1709E-05,5.1653E-05,5.1603E-05,5.1525E-05,5.1411E-05,5.1189E-05,5.0930E-05,5.0606E-05,5.0316E-05,4.9983E-05,4.9562E-05,4.8942E-05,4.8235E-05,4.7404E-05,4.6220E-05,4.5083E-05,4.4101E-05,4.3413E-05,4.2696E-05,4.1952E-05,4.1428E-05,4.0907E-05,4.0149E-05,3.9167E-05,3.7963E-05,3.6557E-05,3.5158E-05,3.3533E-05,3.1786E-05,2.9892E-05,2.6932E-05,2.2339E-05,1.6778E-05,1.1183E-05,6.1300E-06,3.4362E-06,2.1686E-06,1.3609E-06,1.0026E-06\n\"ACE\",\"ppmV\",6.2570E-05,6.2589E-05,6.2597E-05,6.2597E-05,6.2587E-05,6.2583E-05,6.2564E-05,6.2550E-05,6.2524E-05,6.2470E-05,6.2359E-05,6.2214E-05,6.2001E-05,6.1837E-05,6.1655E-05,6.1470E-05,6.1133E-05,6.0806E-05,6.0334E-05,5.9839E-05,5.9519E-05,5.9482E-05,6.0299E-05,6.1182E-05,6.2029E-05,6.3174E-05,6.4325E-05,6.5117E-05,6.5487E-05,6.5223E-05,6.4265E-05,6.2838E-05,6.0768E-05,5.7983E-05,5.4419E-05,4.8477E-05,3.9092E-05,2.7904E-05,1.7304E-05,8.6931E-06,4.8405E-06,3.0838E-06,1.9205E-06,1.4497E-06\n\"ETE\",\"ppmV\",3.1499E-06,3.1508E-06,3.1507E-06,3.1492E-06,3.1453E-06,3.1414E-06,3.1329E-06,3.1243E-06,3.1123E-06,3.0948E-06,3.0688E-06,3.0415E-06,3.0065E-06,2.9794E-06,2.9452E-06,2.8782E-06,2.8076E-06,2.7311E-06,2.6630E-06,2.5544E-06,2.4327E-06,2.3424E-06,2.3043E-06,2.2421E-06,2.1846E-06,2.1350E-06,2.0635E-06,1.9877E-06,1.9278E-06,1.8526E-06,1.7255E-06,1.5894E-06,1.4524E-06,1.3806E-06,1.3642E-06,1.1747E-06,8.1871E-07,3.8334E-07,1.2948E-07,2.7548E-08,6.5739E-09,2.5192E-09,6.7729E-10,1.3926E-10\n\"OLT\",\"ppmV\",1.3559E-07,1.3669E-07,1.3689E-07,1.3518E-07,1.3199E-07,1.2810E-07,1.2238E-07,1.1472E-07,1.0597E-07,9.3598E-08,8.2773E-08,7.1614E-08,5.9668E-08,4.9473E-08,4.1167E-08,3.3525E-08,2.7157E-08,2.2612E-08,1.9407E-08,1.6900E-08,1.5706E-08,1.4912E-08,1.4323E-08,1.4238E-08,1.4364E-08,1.4323E-08,1.4122E-08,1.4156E-08,1.4324E-08,1.4351E-08,1.3490E-08,1.2623E-08,1.1254E-08,9.9026E-09,7.7840E-09,5.1484E-09,3.1219E-09,1.4255E-09,5.0621E-10,1.3055E-10,3.7579E-11,1.2408E-11,2.1308E-12,1.5192E-13\n\"OLI\",\"ppmV\",7.4448E-09,7.6704E-09,7.7114E-09,7.4720E-09,7.1001E-09,6.6934E-09,6.1508E-09,5.4664E-09,4.7453E-09,3.6848E-09,2.9363E-09,2.2695E-09,1.6421E-09,1.1841E-09,8.8328E-10,6.3624E-10,4.4867E-10,3.0836E-10,2.1244E-10,1.4515E-10,1.1594E-10,1.0050E-10,6.9506E-11,6.1462E-11,6.0797E-11,6.0610E-11,5.8952E-11,5.3390E-11,4.6202E-11,3.8847E-11,3.0215E-11,2.6736E-11,2.7139E-11,2.8214E-11,2.5768E-11,2.1311E-11,1.4407E-11,6.8335E-12,1.7422E-12,1.7716E-13,4.5363E-15,6.8463E-17,5.3885E-19,4.3827E-21\n\"ISO\",\"ppmV\",9.1576E-09,9.2996E-09,9.3197E-09,9.1265E-09,8.8199E-09,8.4653E-09,7.9663E-09,7.3161E-09,6.6104E-09,5.5801E-09,4.7546E-09,3.9610E-09,3.1208E-09,2.4296E-09,1.9089E-09,1.4651E-09,1.0818E-09,7.7693E-10,5.5930E-10,3.8644E-10,3.0726E-10,2.5750E-10,1.9684E-10,1.7474E-10,1.6637E-10,1.5850E-10,1.4666E-10,1.2618E-10,1.0582E-10,8.7325E-11,6.7775E-11,5.5216E-11,4.6821E-11,3.5271E-11,2.2093E-11,1.2586E-11,5.6529E-12,6.9933E-13,7.6732E-14,1.4907E-15,9.2721E-18,2.4331E-19,9.6984E-21,1.1903E-22\n\"ISOP\",\"ppmV\",7.7054E-11,8.1346E-11,8.2374E-11,7.9991E-11,7.6413E-11,7.2710E-11,6.8124E-11,6.2302E-11,5.6108E-11,4.6150E-11,3.9625E-11,3.3972E-11,2.8394E-11,2.3312E-11,1.9199E-11,1.5348E-11,1.2156E-11,9.1534E-12,7.1782E-12,5.5981E-12,4.5468E-12,3.9636E-12,3.2952E-12,3.0479E-12,2.9881E-12,2.8836E-12,2.7315E-12,2.4200E-12,2.0555E-12,1.7525E-12,1.4062E-12,1.1821E-12,9.7574E-13,7.3569E-13,4.6393E-13,2.5604E-13,8.3812E-14,1.2181E-14,1.7028E-15,2.8962E-17,3.6540E-19,3.6930E-20,4.5241E-21,1.5416E-22\n\"MACR\",\"ppmV\",1.2026E-09,1.2255E-09,1.2393E-09,1.2432E-09,1.2321E-09,1.2118E-09,1.1754E-09,1.1202E-09,1.0529E-09,9.6099E-10,8.6524E-10,7.5597E-10,6.3451E-10,5.2772E-10,4.3704E-10,3.5024E-10,2.7477E-10,2.1661E-10,1.7911E-10,1.4757E-10,1.3322E-10,1.3098E-10,1.2534E-10,1.2378E-10,1.2503E-10,1.2284E-10,1.1778E-10,1.1832E-10,1.2606E-10,1.3628E-10,1.4380E-10,1.4673E-10,1.3400E-10,1.0895E-10,7.0142E-11,3.5707E-11,1.6789E-11,4.2000E-12,7.0294E-13,4.9412E-14,2.6367E-15,1.6618E-16,9.9292E-18,2.7414E-19\n\"MVK\",\"ppmV\",1.6189E-09,1.6498E-09,1.6684E-09,1.6736E-09,1.6585E-09,1.6313E-09,1.5822E-09,1.5079E-09,1.4173E-09,1.2936E-09,1.1648E-09,1.0176E-09,8.5414E-10,7.1040E-10,5.8832E-10,4.7147E-10,3.6988E-10,2.9159E-10,2.4112E-10,1.9865E-10,1.7934E-10,1.7632E-10,1.6872E-10,1.6663E-10,1.6831E-10,1.6536E-10,1.5854E-10,1.5927E-10,1.6969E-10,1.8346E-10,1.9357E-10,1.9752E-10,1.8039E-10,1.4666E-10,9.4422E-11,4.8067E-11,2.2601E-11,5.6539E-12,9.4626E-13,6.6516E-14,3.5494E-15,2.2371E-16,1.3366E-17,3.6903E-19\n\"HKET\",\"ppmV\",1.8039E-09,1.8383E-09,1.8590E-09,1.8648E-09,1.8481E-09,1.8177E-09,1.7631E-09,1.6802E-09,1.5793E-09,1.4415E-09,1.2979E-09,1.1339E-09,9.5176E-10,7.9158E-10,6.5556E-10,5.2536E-10,4.1215E-10,3.2492E-10,2.6867E-10,2.2136E-10,1.9983E-10,1.9647E-10,1.8801E-10,1.8568E-10,1.8755E-10,1.8426E-10,1.7666E-10,1.7747E-10,1.8908E-10,2.0442E-10,2.1569E-10,2.2009E-10,2.0100E-10,1.6342E-10,1.0521E-10,5.3560E-11,2.5184E-11,6.3000E-12,1.0544E-12,7.4118E-14,3.9550E-15,2.4928E-16,1.4894E-17,4.1121E-19\n\"ISON\",\"ppmV\",2.7569E-10,2.9100E-10,2.9938E-10,3.0336E-10,3.0357E-10,3.0078E-10,2.9389E-10,2.8136E-10,2.6713E-10,2.4767E-10,2.2718E-10,2.0449E-10,1.8156E-10,1.6249E-10,1.5024E-10,1.4596E-10,1.5678E-10,1.7701E-10,2.0405E-10,2.2771E-10,2.5300E-10,2.8243E-10,3.2460E-10,3.5441E-10,4.0413E-10,4.6691E-10,5.4254E-10,6.9906E-10,9.3968E-10,1.1883E-09,1.3740E-09,1.4286E-09,1.3367E-09,1.3019E-09,1.1331E-09,7.5247E-10,4.3975E-10,1.8113E-10,5.5602E-11,8.4463E-12,1.3901E-12,4.7342E-13,5.0055E-14,7.1452E-15\n\"ISHP\",\"ppmV\",5.5762E-10,5.8797E-10,6.0137E-10,6.0748E-10,6.0869E-10,6.0613E-10,5.9729E-10,5.7983E-10,5.5235E-10,5.0523E-10,4.6259E-10,4.1608E-10,3.6189E-10,3.1027E-10,2.6280E-10,2.1448E-10,1.7319E-10,1.3859E-10,1.1456E-10,9.4406E-11,8.4172E-11,7.8942E-11,7.0598E-11,6.4859E-11,6.1452E-11,5.8280E-11,5.5473E-11,5.4997E-11,5.7903E-11,6.0079E-11,5.8072E-11,5.2444E-11,4.0619E-11,2.9230E-11,1.7927E-11,8.6503E-12,3.2719E-12,6.9161E-13,6.5073E-14,2.0568E-15,1.1283E-16,1.0176E-17,1.1984E-18,3.3218E-20\n\"MACP\",\"ppmV\",1.3727E-09,1.3622E-09,1.3469E-09,1.3325E-09,1.3173E-09,1.2998E-09,1.2821E-09,1.2682E-09,1.2575E-09,1.2742E-09,1.2809E-09,1.2803E-09,1.2792E-09,1.2917E-09,1.3064E-09,1.3148E-09,1.3100E-09,1.3013E-09,1.2894E-09,1.2713E-09,1.2320E-09,1.2008E-09,1.1949E-09,1.1849E-09,1.1748E-09,1.1676E-09,1.1556E-09,1.1215E-09,1.0768E-09,1.0296E-09,9.7190E-10,9.1975E-10,8.5384E-10,7.8732E-10,7.3324E-10,6.7953E-10,5.8669E-10,4.5367E-10,2.8894E-10,1.2014E-10,5.0076E-11,2.7873E-11,1.6313E-11,1.2535E-11\n\"IEPOX\",\"ppmV\",1.5706E-09,1.6516E-09,1.6902E-09,1.7167E-09,1.7397E-09,1.7583E-09,1.7706E-09,1.7701E-09,1.7466E-09,1.6979E-09,1.6497E-09,1.5976E-09,1.5348E-09,1.4955E-09,1.6012E-09,1.9115E-09,2.2483E-09,2.7065E-09,3.1337E-09,3.5949E-09,4.1005E-09,4.3920E-09,4.6050E-09,5.3094E-09,6.8147E-09,9.3540E-09,1.3356E-08,1.9389E-08,2.9112E-08,4.3840E-08,6.7940E-08,9.5077E-08,1.2364E-07,1.5220E-07,1.6108E-07,1.4789E-07,1.1741E-07,8.0926E-08,4.0449E-08,9.1397E-09,8.5843E-10,1.8749E-10,3.5957E-11,7.2574E-12\n\"LIM\",\"ppmV\",3.5684E-15,3.5876E-15,3.6035E-15,3.6191E-15,3.6354E-15,3.6528E-15,3.6719E-15,3.6937E-15,3.7207E-15,3.7543E-15,3.7964E-15,3.8502E-15,3.9208E-15,4.0196E-15,4.1534E-15,4.3546E-15,4.6876E-15,5.3003E-15,6.3790E-15,8.4465E-15,1.2509E-14,1.7677E-14,1.9689E-14,2.0987E-14,1.9156E-14,1.7425E-14,1.9689E-14,3.2104E-14,6.1164E-14,1.0995E-13,1.6239E-13,1.9287E-13,1.9867E-13,1.9382E-13,2.7988E-13,3.3981E-13,1.2417E-13,1.3148E-14,1.5194E-15,5.7082E-17,2.7401E-19,1.8774E-21,1.2645E-23,1.0008E-24\n\"API\",\"ppmV\",3.8924E-20,3.8852E-20,3.8984E-20,3.9129E-20,3.9167E-20,3.9319E-20,3.9351E-20,3.9563E-20,3.9798E-20,4.0089E-20,4.0705E-20,4.1459E-20,4.2568E-20,4.4116E-20,4.6276E-20,4.9782E-20,5.6579E-20,7.7535E-20,1.0108E-19,2.8072E-19,6.3678E-19,8.8247E-19,1.2040E-18,1.9601E-18,3.3639E-18,5.4607E-18,8.0540E-18,1.0883E-17,1.2813E-17,1.3752E-17,1.0947E-17,3.8618E-18,8.0945E-19,4.9805E-20,4.6766E-21,2.7696E-21,1.6447E-21,2.9187E-22,5.3057E-23,1.9771E-24,9.6012E-25,9.6215E-25,9.5566E-25,9.4302E-25\n\"BENZENE\",\"ppmV\",2.1689E-05,2.1711E-05,2.1721E-05,2.1726E-05,2.1727E-05,2.1728E-05,2.1722E-05,2.1719E-05,2.1715E-05,2.1702E-05,2.1666E-05,2.1615E-05,2.1513E-05,2.1456E-05,2.1376E-05,2.1305E-05,2.1159E-05,2.1023E-05,2.0877E-05,2.0685E-05,2.0565E-05,2.0547E-05,2.0912E-05,2.1236E-05,2.1528E-05,2.1931E-05,2.2215E-05,2.2293E-05,2.2210E-05,2.1914E-05,2.1287E-05,2.0513E-05,1.9521E-05,1.8313E-05,1.6933E-05,1.4754E-05,1.1364E-05,7.4759E-06,4.1283E-06,1.6825E-06,7.7383E-07,4.4254E-07,2.3596E-07,1.5562E-07\n\"CSL\",\"ppmV\",1.1160E-07,1.1814E-07,1.2094E-07,1.2282E-07,1.2438E-07,1.2577E-07,1.2705E-07,1.2848E-07,1.3013E-07,1.3253E-07,1.3508E-07,1.3807E-07,1.4124E-07,1.4467E-07,1.4798E-07,1.5111E-07,1.5092E-07,1.4991E-07,1.4644E-07,1.4254E-07,1.3946E-07,1.4240E-07,1.5099E-07,1.6150E-07,1.7383E-07,1.9020E-07,2.0719E-07,2.2172E-07,2.3185E-07,2.3745E-07,2.3586E-07,2.2849E-07,2.1502E-07,1.9550E-07,1.6850E-07,1.3109E-07,8.5630E-08,4.4901E-08,1.8996E-08,6.2644E-09,2.5364E-09,1.2379E-09,6.2989E-10,4.4300E-10\n\"BENP\",\"ppmV\",1.3001E-09,1.2784E-09,1.2723E-09,1.2740E-09,1.2779E-09,1.2826E-09,1.2890E-09,1.2982E-09,1.3106E-09,1.3323E-09,1.3468E-09,1.3591E-09,1.3690E-09,1.3800E-09,1.3920E-09,1.3997E-09,1.3816E-09,1.3690E-09,1.3459E-09,1.2816E-09,1.1963E-09,1.1155E-09,1.0851E-09,1.0696E-09,1.0606E-09,1.0576E-09,1.0567E-09,1.0428E-09,1.0189E-09,9.7428E-10,9.1597E-10,8.5194E-10,7.7355E-10,6.9316E-10,6.2042E-10,5.4785E-10,4.5389E-10,3.3473E-10,2.1325E-10,9.9283E-11,5.1014E-11,3.8256E-11,2.8409E-11,2.3924E-11\n\"DCB2\",\"ppmV\",5.8021E-08,5.9264E-08,5.9771E-08,5.9985E-08,5.9951E-08,5.9834E-08,5.9456E-08,5.8960E-08,5.8328E-08,5.7367E-08,5.6187E-08,5.4888E-08,5.3486E-08,5.2037E-08,5.0205E-08,4.7821E-08,4.4754E-08,4.1920E-08,3.9085E-08,3.5995E-08,3.3250E-08,3.1879E-08,3.1771E-08,3.1964E-08,3.2411E-08,3.3157E-08,3.3487E-08,3.3382E-08,3.3078E-08,3.2421E-08,3.1450E-08,3.0821E-08,3.0069E-08,2.9170E-08,2.8671E-08,2.7771E-08,2.4845E-08,1.8926E-08,1.1531E-08,4.3655E-09,1.5318E-09,5.6551E-10,2.0567E-10,1.1809E-10\n\"BENZRO2\",\"ppmV\",4.1125E-09,3.9884E-09,3.9593E-09,3.9769E-09,4.0071E-09,4.0410E-09,4.0868E-09,4.1525E-09,4.2415E-09,4.4159E-09,4.5229E-09,4.5899E-09,4.6308E-09,4.6847E-09,4.7405E-09,4.7882E-09,4.7643E-09,4.7563E-09,4.7022E-09,4.4503E-09,4.0655E-09,3.7084E-09,3.5568E-09,3.4512E-09,3.3712E-09,3.3097E-09,3.2483E-09,3.1509E-09,3.0322E-09,2.8689E-09,2.6821E-09,2.4911E-09,2.2626E-09,2.0280E-09,1.8105E-09,1.5933E-09,1.3135E-09,9.6494E-10,6.1391E-10,2.8676E-10,1.4746E-10,1.1097E-10,8.2749E-11,6.9798E-11\n\"TOL\",\"ppmV\",4.0408E-06,4.0453E-06,4.0463E-06,4.0441E-06,4.0378E-06,4.0301E-06,4.0154E-06,3.9980E-06,3.9764E-06,3.9453E-06,3.9047E-06,3.8587E-06,3.7993E-06,3.7523E-06,3.6969E-06,3.6142E-06,3.5179E-06,3.4366E-06,3.3696E-06,3.2480E-06,3.1204E-06,3.0463E-06,3.0588E-06,3.0223E-06,2.9837E-06,2.9359E-06,2.8266E-06,2.7022E-06,2.5969E-06,2.4624E-06,2.2395E-06,1.9931E-06,1.7713E-06,1.5982E-06,1.4274E-06,1.1369E-06,7.4019E-07,3.3115E-07,1.0221E-07,1.6528E-08,1.9982E-09,5.0361E-10,1.3658E-10,3.8048E-11\n\"TLP1\",\"ppmV\",2.1535E-09,2.1108E-09,2.1003E-09,2.1023E-09,2.1068E-09,2.1122E-09,2.1184E-09,2.1268E-09,2.1395E-09,2.1566E-09,2.1638E-09,2.1633E-09,2.1590E-09,2.1734E-09,2.2104E-09,2.1927E-09,2.1299E-09,2.0843E-09,2.0900E-09,2.0098E-09,1.7758E-09,1.5729E-09,1.4416E-09,1.3600E-09,1.3191E-09,1.2920E-09,1.2550E-09,1.2080E-09,1.1695E-09,1.1123E-09,1.0248E-09,9.2592E-10,8.0286E-10,6.9429E-10,5.9063E-10,4.7251E-10,3.2247E-10,1.8107E-10,7.9273E-11,1.7987E-11,2.5713E-12,7.9088E-13,3.0230E-13,1.0126E-13\n\"TOLRO2\",\"ppmV\",3.7487E-09,3.6253E-09,3.5987E-09,3.6153E-09,3.6422E-09,3.6719E-09,3.7108E-09,3.7638E-09,3.8413E-09,3.9708E-09,4.0501E-09,4.0824E-09,4.0838E-09,4.1461E-09,4.2468E-09,4.2310E-09,4.1903E-09,4.1577E-09,4.2302E-09,4.0821E-09,3.4705E-09,2.9005E-09,2.5789E-09,2.3755E-09,2.2658E-09,2.1815E-09,2.0753E-09,1.9671E-09,1.8845E-09,1.7798E-09,1.6298E-09,1.4721E-09,1.2779E-09,1.1058E-09,9.3669E-10,7.4673E-10,5.0696E-10,2.8337E-10,1.2348E-10,2.8039E-11,4.0411E-12,1.2498E-12,4.7962E-13,1.6118E-13\n\"XYM\",\"ppmV\",1.4525E-07,1.4577E-07,1.4589E-07,1.4527E-07,1.4398E-07,1.4239E-07,1.3991E-07,1.3661E-07,1.3268E-07,1.2715E-07,1.2166E-07,1.1584E-07,1.0924E-07,1.0350E-07,9.8055E-08,9.1570E-08,8.5978E-08,8.2073E-08,7.8419E-08,7.2494E-08,6.6478E-08,6.2074E-08,6.0747E-08,5.8774E-08,5.6878E-08,5.4363E-08,5.0814E-08,4.6928E-08,4.3146E-08,3.8748E-08,3.2389E-08,2.6636E-08,2.1988E-08,1.8392E-08,1.5022E-08,1.1210E-08,7.1813E-09,3.0693E-09,8.9840E-10,1.5171E-10,2.6547E-11,9.2816E-12,2.2872E-12,3.3910E-13\n\"XYO\",\"ppmV\",1.2450E-07,1.2495E-07,1.2505E-07,1.2452E-07,1.2341E-07,1.2205E-07,1.1992E-07,1.1709E-07,1.1373E-07,1.0899E-07,1.0428E-07,9.9291E-08,9.3636E-08,8.8712E-08,8.4047E-08,7.8488E-08,7.3696E-08,7.0348E-08,6.7216E-08,6.2137E-08,5.6981E-08,5.3206E-08,5.2069E-08,5.0378E-08,4.8752E-08,4.6597E-08,4.3555E-08,4.0224E-08,3.6983E-08,3.3213E-08,2.7762E-08,2.2830E-08,1.8847E-08,1.5765E-08,1.2876E-08,9.6090E-09,6.1554E-09,2.6308E-09,7.7006E-10,1.3004E-10,2.2755E-11,7.9557E-12,1.9604E-12,2.9066E-13\n\"XYP\",\"ppmV\",1.4525E-07,1.4577E-07,1.4589E-07,1.4527E-07,1.4398E-07,1.4239E-07,1.3991E-07,1.3661E-07,1.3268E-07,1.2715E-07,1.2166E-07,1.1584E-07,1.0924E-07,1.0350E-07,9.8055E-08,9.1570E-08,8.5978E-08,8.2073E-08,7.8419E-08,7.2494E-08,6.6478E-08,6.2074E-08,6.0747E-08,5.8774E-08,5.6878E-08,5.4363E-08,5.0814E-08,4.6928E-08,4.3146E-08,3.8748E-08,3.2389E-08,2.6636E-08,2.1988E-08,1.8392E-08,1.5022E-08,1.1210E-08,7.1813E-09,3.0693E-09,8.9840E-10,1.5171E-10,2.6547E-11,9.2816E-12,2.2872E-12,3.3910E-13\n\"XYLRO2\",\"ppmV\",1.1294E-09,1.0991E-09,1.0902E-09,1.0878E-09,1.0837E-09,1.0778E-09,1.0690E-09,1.0574E-09,1.0459E-09,1.0315E-09,1.0059E-09,9.6841E-10,9.2084E-10,8.8704E-10,8.6275E-10,8.1295E-10,7.7155E-10,7.4046E-10,7.4040E-10,7.0368E-10,5.8769E-10,4.6118E-10,3.7188E-10,3.2278E-10,2.9974E-10,2.7854E-10,2.5297E-10,2.2691E-10,2.0443E-10,1.8268E-10,1.5512E-10,1.3077E-10,1.0349E-10,8.1503E-11,6.2751E-11,4.5749E-11,2.8515E-11,1.4498E-11,5.8948E-12,1.3711E-12,2.9833E-13,1.3654E-13,4.3844E-14,7.7603E-15\n\"NAPH\",\"ppmV\",9.8989E-09,9.9100E-09,9.9129E-09,9.9133E-09,9.9098E-09,9.9066E-09,9.8896E-09,9.8772E-09,9.8492E-09,9.8007E-09,9.7079E-09,9.6182E-09,9.4990E-09,9.4135E-09,9.2822E-09,8.9944E-09,8.7345E-09,8.5500E-09,8.3497E-09,7.9330E-09,7.5143E-09,7.1708E-09,7.1340E-09,6.9926E-09,6.8991E-09,6.7839E-09,6.5591E-09,6.2532E-09,5.9188E-09,5.4669E-09,4.6712E-09,3.8545E-09,3.1529E-09,2.6912E-09,2.0555E-09,1.2752E-09,7.1942E-10,3.1500E-10,1.1232E-10,3.1237E-11,1.1178E-11,4.9113E-12,1.2465E-12,1.8105E-13\n\"PAHRO2\",\"ppmV\",2.5360E-11,2.4556E-11,2.4365E-11,2.4445E-11,2.4587E-11,2.4746E-11,2.4942E-11,2.5232E-11,2.5613E-11,2.6236E-11,2.6561E-11,2.6752E-11,2.6840E-11,2.7247E-11,2.7813E-11,2.7407E-11,2.6991E-11,2.6785E-11,2.7622E-11,2.7066E-11,2.3166E-11,1.8481E-11,1.5050E-11,1.3134E-11,1.2432E-11,1.1863E-11,1.1135E-11,1.0312E-11,9.5998E-12,8.8519E-12,7.7178E-12,6.5620E-12,5.2289E-12,4.2005E-12,3.1950E-12,2.1917E-12,1.3115E-12,6.9355E-13,3.2417E-13,1.0887E-13,4.3598E-14,2.5072E-14,8.3808E-15,1.4486E-15\n\"MCT\",\"ppmV\",2.8949E-08,3.0731E-08,3.1550E-08,3.2151E-08,3.2722E-08,3.3286E-08,3.3896E-08,3.4600E-08,3.5454E-08,3.6604E-08,3.7750E-08,3.9054E-08,4.0475E-08,4.2180E-08,4.4552E-08,4.7050E-08,4.7749E-08,4.8282E-08,4.7457E-08,4.6036E-08,4.4960E-08,4.4934E-08,4.6802E-08,4.9649E-08,5.3296E-08,5.9603E-08,6.8244E-08,7.9125E-08,9.0548E-08,1.0183E-07,1.1543E-07,1.3259E-07,1.5233E-07,1.6616E-07,1.6908E-07,1.5482E-07,1.1809E-07,6.8201E-08,2.8808E-08,8.3940E-09,2.8220E-09,1.1101E-09,5.3810E-10,3.9876E-10\n\"MPAN\",\"ppmV\",3.0920E-07,3.1110E-07,3.1199E-07,3.1257E-07,3.1284E-07,3.1291E-07,3.1258E-07,3.1184E-07,3.1030E-07,3.0747E-07,3.0351E-07,2.9882E-07,2.9319E-07,2.8786E-07,2.8130E-07,2.7371E-07,2.6686E-07,2.6336E-07,2.6068E-07,2.5462E-07,2.4626E-07,2.3940E-07,2.3644E-07,2.2985E-07,2.2053E-07,2.0920E-07,1.9348E-07,1.7632E-07,1.5959E-07,1.4067E-07,1.1852E-07,9.8422E-08,8.1299E-08,6.9133E-08,5.9931E-08,4.9354E-08,3.6310E-08,2.3416E-08,1.3646E-08,6.1147E-09,3.0228E-09,2.0318E-09,1.0725E-09,5.9353E-10\n\"SESQ\",\"ppmV\",1.0291E-21,1.0505E-21,1.0549E-21,1.0488E-21,1.0173E-21,9.7724E-22,9.3585E-22,8.9413E-22,8.6027E-22,8.5445E-22,8.6817E-22,8.8141E-22,9.0237E-22,9.3247E-22,9.5750E-22,9.6989E-22,9.6659E-22,9.6455E-22,9.5785E-22,9.4554E-22,9.7628E-22,1.0001E-21,7.6756E-22,7.6844E-22,8.1954E-22,8.7543E-22,9.0393E-22,8.8117E-22,7.7182E-22,6.4036E-22,4.0706E-22,3.2135E-22,2.6878E-22,2.2622E-22,1.8010E-22,1.5230E-22,9.1786E-23,7.7408E-25,1.0346E-25,1.0195E-25,6.1488E-26,4.0527E-27,9.1608E-30,1.0107E-30\n\"SOAALK\",\"ppmV\",3.2902E-06,3.2927E-06,3.2923E-06,3.2862E-06,3.2731E-06,3.2579E-06,3.2318E-06,3.1995E-06,3.1586E-06,3.1004E-06,3.0298E-06,2.9540E-06,2.8624E-06,2.7787E-06,2.6807E-06,2.5322E-06,2.3802E-06,2.2331E-06,2.0941E-06,1.8898E-06,1.7153E-06,1.5687E-06,1.4614E-06,1.3605E-06,1.2615E-06,1.1535E-06,1.0381E-06,9.1650E-07,7.9913E-07,6.7184E-07,5.2908E-07,4.1095E-07,3.2078E-07,2.6131E-07,2.1400E-07,1.5492E-07,9.1077E-08,3.5906E-08,1.0296E-08,2.1715E-09,6.4111E-10,2.5073E-10,6.2314E-11,1.0491E-11\n\"VLVPO1\",\"ppmV\",2.7955E-07,2.7459E-07,2.6892E-07,2.6229E-07,2.5480E-07,2.4638E-07,2.3701E-07,2.2764E-07,2.1712E-07,2.0496E-07,1.9199E-07,1.7799E-07,1.6454E-07,1.5078E-07,1.3685E-07,1.2617E-07,1.2008E-07,1.1646E-07,1.0941E-07,9.8521E-08,8.4277E-08,6.9052E-08,5.5626E-08,4.3102E-08,3.2014E-08,2.2979E-08,1.5618E-08,9.8896E-09,5.7276E-09,3.0475E-09,1.4824E-09,6.5735E-10,2.6702E-10,1.0084E-10,3.7649E-11,1.5864E-11,8.6204E-12,5.5502E-12,3.6942E-12,2.4169E-12,1.5758E-12,1.2217E-12,1.2904E-12,2.1679E-12\n\"VSVPO1\",\"ppmV\",1.2367E-07,1.2534E-07,1.2533E-07,1.2437E-07,1.2276E-07,1.2056E-07,1.1769E-07,1.1430E-07,1.1072E-07,1.0605E-07,1.0145E-07,9.6525E-08,9.1134E-08,8.6646E-08,8.3962E-08,8.4156E-08,8.7618E-08,9.2388E-08,9.5026E-08,9.2721E-08,8.3785E-08,7.2349E-08,6.1564E-08,5.2963E-08,4.4686E-08,3.6185E-08,2.8072E-08,2.0257E-08,1.3849E-08,8.9516E-09,5.2835E-09,2.8196E-09,1.3735E-09,6.3929E-10,3.0394E-10,1.6432E-10,1.0651E-10,7.6755E-11,5.6105E-11,4.0281E-11,2.8753E-11,2.3911E-11,2.5923E-11,4.2383E-11\n\"VSVPO2\",\"ppmV\",5.6335E-08,5.9299E-08,6.0694E-08,6.0981E-08,6.0515E-08,5.9500E-08,5.7580E-08,5.4709E-08,5.1183E-08,4.6039E-08,4.1504E-08,3.6731E-08,3.1642E-08,2.7448E-08,2.4564E-08,2.2391E-08,2.2133E-08,2.1783E-08,2.3876E-08,2.4735E-08,2.5719E-08,2.7509E-08,2.8735E-08,3.0320E-08,3.1613E-08,3.1750E-08,3.0364E-08,2.6320E-08,2.1248E-08,1.6875E-08,1.2895E-08,8.7602E-09,5.4861E-09,3.4693E-09,2.3197E-09,1.6844E-09,1.3274E-09,1.0763E-09,8.4084E-10,6.2011E-10,4.4049E-10,3.3584E-10,3.1126E-10,4.3337E-10\n\"VSVPO3\",\"ppmV\",4.7055E-08,4.9941E-08,5.1304E-08,5.1455E-08,5.0794E-08,4.9661E-08,4.7603E-08,4.4565E-08,4.0809E-08,3.5263E-08,3.0639E-08,2.5902E-08,2.0850E-08,1.6487E-08,1.2990E-08,9.9280E-09,7.3907E-09,5.3751E-09,4.0517E-09,2.9879E-09,2.4000E-09,2.1093E-09,1.7883E-09,1.6747E-09,1.6830E-09,1.7728E-09,1.9425E-09,2.2029E-09,2.4028E-09,2.5062E-09,2.5161E-09,2.3831E-09,2.1281E-09,1.8614E-09,1.6502E-09,1.4452E-09,1.2499E-09,1.0501E-09,7.5075E-10,4.6197E-10,2.7494E-10,1.6689E-10,8.9911E-11,5.1560E-11\n\"VIVPO1\",\"ppmV\",1.1971E-07,1.2712E-07,1.3060E-07,1.3093E-07,1.2913E-07,1.2613E-07,1.2075E-07,1.1281E-07,1.0300E-07,8.8524E-08,7.6548E-08,6.4336E-08,5.1345E-08,4.0157E-08,3.1187E-08,2.3309E-08,1.6579E-08,1.1237E-08,7.6670E-09,4.9486E-09,3.5677E-09,2.8144E-09,1.7742E-09,1.3801E-09,1.2816E-09,1.2381E-09,1.2299E-09,1.2426E-09,1.2786E-09,1.3129E-09,1.2832E-09,1.2156E-09,1.1081E-09,1.0755E-09,1.0121E-09,7.9901E-10,6.0746E-10,4.4719E-10,2.3661E-10,8.7199E-11,3.1574E-11,1.2463E-11,2.7118E-12,2.8443E-13\n\"VLVOO1\",\"ppmV\",1.5069E-07,1.4599E-07,1.4135E-07,1.3634E-07,1.3091E-07,1.2492E-07,1.1843E-07,1.1150E-07,1.0403E-07,9.6136E-08,8.8130E-08,7.9968E-08,7.1840E-08,6.3883E-08,5.6413E-08,5.0539E-08,4.5756E-08,4.1372E-08,3.7022E-08,3.2158E-08,2.5976E-08,1.9739E-08,1.4098E-08,9.4759E-09,5.9634E-09,3.5977E-09,2.0997E-09,1.1725E-09,6.1800E-10,2.9943E-10,1.3217E-10,5.3279E-11,1.9475E-11,6.4347E-12,1.9529E-12,6.1486E-13,2.5708E-13,1.3974E-13,8.4263E-14,5.0222E-14,2.8937E-14,1.5022E-14,1.4670E-14,3.9369E-14\n\"VLVOO2\",\"ppmV\",1.6734E-07,1.6541E-07,1.6266E-07,1.5938E-07,1.5570E-07,1.5144E-07,1.4668E-07,1.4190E-07,1.3635E-07,1.2995E-07,1.2305E-07,1.1543E-07,1.0819E-07,1.0021E-07,9.1506E-08,8.4633E-08,8.0068E-08,7.6653E-08,7.1480E-08,6.3778E-08,5.3725E-08,4.3290E-08,3.3933E-08,2.5491E-08,1.8319E-08,1.2831E-08,8.5771E-09,5.4230E-09,3.1818E-09,1.7155E-09,8.4384E-10,3.7860E-10,1.5454E-10,5.8189E-11,2.0999E-11,8.2493E-12,4.2151E-12,2.6472E-12,1.7664E-12,1.1700E-12,7.7636E-13,6.0708E-13,6.4542E-13,1.0914E-12\n\"VSVOO1\",\"ppmV\",8.1698E-09,8.3944E-09,8.4778E-09,8.5238E-09,8.5703E-09,8.5952E-09,8.6074E-09,8.6194E-09,8.5729E-09,8.4733E-09,8.3269E-09,8.0902E-09,7.7953E-09,7.3198E-09,6.7923E-09,6.3620E-09,6.0613E-09,5.8005E-09,5.4223E-09,4.8747E-09,4.1473E-09,3.3928E-09,2.6384E-09,1.9856E-09,1.4470E-09,1.0280E-09,7.1506E-10,4.8382E-10,3.1764E-10,2.0269E-10,1.2352E-10,7.0534E-11,3.6831E-11,1.7630E-11,7.7682E-12,3.3566E-12,1.6507E-12,9.7324E-13,6.4727E-13,4.5635E-13,3.2885E-13,2.7032E-13,2.9452E-13,4.9153E-13\n\"VSVOO2\",\"ppmV\",2.5130E-08,2.6233E-08,2.6750E-08,2.7123E-08,2.7494E-08,2.7798E-08,2.8079E-08,2.8352E-08,2.8425E-08,2.8282E-08,2.7910E-08,2.7167E-08,2.6113E-08,2.4387E-08,2.2509E-08,2.0988E-08,1.9862E-08,1.8841E-08,1.7455E-08,1.5533E-08,1.3120E-08,1.0668E-08,8.1997E-09,6.1369E-09,4.5066E-09,3.2623E-09,2.3510E-09,1.6609E-09,1.1505E-09,7.9071E-10,5.4426E-10,3.7203E-10,2.5493E-10,1.7366E-10,1.1459E-10,7.2703E-11,4.6561E-11,3.2299E-11,2.3664E-11,1.8376E-11,1.4295E-11,1.1541E-11,1.1556E-11,1.7027E-11\n\"VSVOO3\",\"ppmV\",4.1746E-08,4.3688E-08,4.4622E-08,4.5314E-08,4.6007E-08,4.6600E-08,4.7175E-08,4.7770E-08,4.8011E-08,4.7875E-08,4.7335E-08,4.6183E-08,4.4537E-08,4.1711E-08,3.8558E-08,3.6035E-08,3.4169E-08,3.2495E-08,3.0124E-08,2.6757E-08,2.2602E-08,1.8367E-08,1.4104E-08,1.0525E-08,7.6546E-09,5.4877E-09,3.8946E-09,2.7178E-09,1.8964E-09,1.3388E-09,9.7168E-10,7.2623E-10,5.4705E-10,4.1172E-10,3.0211E-10,2.0931E-10,1.2633E-10,6.8487E-11,3.8847E-11,2.8151E-11,2.5152E-11,2.0025E-11,1.2591E-11,8.1505E-12\n\"PCVOC\",\"ppmV\",4.9809E-15,5.2824E-15,5.3892E-15,5.4491E-15,5.4907E-15,5.5230E-15,5.5512E-15,5.5783E-15,5.6060E-15,5.6358E-15,5.6692E-15,5.7098E-15,5.7597E-15,5.8344E-15,5.9542E-15,6.1542E-15,6.5551E-15,7.0948E-15,7.8255E-15,8.5945E-15,9.0104E-15,9.2048E-15,9.6979E-15,1.0158E-14,1.0744E-14,1.1224E-14,1.1675E-14,1.2132E-14,1.2885E-14,1.3159E-14,1.3940E-14,1.4285E-14,1.3911E-14,1.2792E-14,1.0844E-14,9.3133E-15,8.1628E-15,7.9231E-15,7.4709E-15,6.1903E-15,3.6407E-15,1.7913E-15,7.1677E-16,3.3191E-16\n\"DIEN\",\"ppmV\",2.5111E-12,2.5137E-12,2.5150E-12,2.5160E-12,2.5166E-12,2.5172E-12,2.5155E-12,2.5142E-12,2.5094E-12,2.5063E-12,2.4977E-12,2.4856E-12,2.4740E-12,2.4601E-12,2.4391E-12,2.3995E-12,2.3210E-12,2.2714E-12,2.3117E-12,2.4808E-12,2.1966E-12,1.6446E-12,1.2773E-12,1.1325E-12,1.0548E-12,8.2465E-13,5.4577E-13,3.7846E-13,2.7977E-13,2.0334E-13,8.4821E-14,2.9176E-14,2.0918E-14,3.4013E-14,4.1583E-14,4.6071E-14,2.1185E-14,1.9374E-15,5.5738E-17,2.7811E-18,2.5383E-19,2.3717E-20,2.0785E-21,2.0317E-22\n\"ASO4J\",\"ug 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}, { "path": "PREP/bcon/src/profile/avprofile_saprc07tc_ae6_aq_derived_from_cb6r3m_ae7_kmtbr_hemi2016_v53beta2_m3dry_col051_row068.csv", "content": "#\n#\n# The vertical profiles in this file were derived from a simulation with the\n# hemispheric version of CMAQv5.3 beta2 for the year 2016 and represent the annual\n# average values at the model grid cell closest to lat 37N, lon -157W. As such,\n# they are reflective of conditions in a remote marine environment.\n# The model simulations were performed with the CB6R3M_AE7_KMTBR chemical mechanism and\n# the annual average model outputs were mapped to the SAPRC07TC_AE6_AQ chemical mechanism\n# Model version: CMAQv5.3 beta2 (February 2018), including full halogen and DMS chemistry\n# Grid spacing: 108 x 108 km on a polar stereographic grid covering the northern hemisphere\n# Vertical layers: 44\n# Meteorological fields: WRF3.8\n# Chemical mechanism: CB6R3M_AE7_KMTBR (mapped to SAPRC07TC_AE6_AQ)\n# Dry Deposition: M3DRY\n# Top level pressure: 50 hPa\n# The vertical sigma levels used in the simulations were 1.0, 0.9975, 0.9946, 0.9913, 0.9875, 0.9831, 0.9781, 0.9723, 0.9657, 0.958, 0.9492, 0.9391, 0.9275, 0.9141, 0.8987, 0.881, 0.8607, 0.8373, 0.8104, 0.7795, 0.7439, 0.7066, 0.6693, 0.632, 0.5946, 0.5573, 0.52, 0.4827, 0.4454, 0.4081, 0.3708, 0.3352, 0.3013, 0.269, 0.2383, 0.2089, 0.181, 0.1543, 0.1289, 0.1047, 0.0816, 0.0596, 0.0386, 0.0186, 0.\n# The hourly meteorological and air quality fields used to derive these profiles\n# are archived at\n# /asm/ROMO/met/MCIP/WRFv3.8_108NHEMI2_2016_44aL/v4.3\n# /asm/gsarwar/hemisphere/cmaqv53_beta_official/halogen/RUN_C\nVNAME,UNITS,LAYER01,LAYER02,LAYER03,LAYER04,LAYER05,LAYER06,LAYER07,LAYER08,LAYER09,LAYER10,LAYER11,LAYER12,LAYER13,LAYER14,LAYER15,LAYER16,LAYER17,LAYER18,LAYER19,LAYER20,LAYER21,LAYER22,LAYER23,LAYER24,LAYER25,LAYER26,LAYER27,LAYER28,LAYER29,LAYER30,LAYER31,LAYER32,LAYER33,LAYER34,LAYER35,LAYER36,LAYER37,LAYER38,LAYER39,LAYER40,LAYER41,LAYER42,LAYER43,LAYER44\n\"PRES\",\"Pa\",1.0181E+05,1.0155E+05,1.0124E+05,1.0090E+05,1.0050E+05,1.0004E+05,9.9512E+04,9.8907E+04,9.8209E+04,9.7404E+04,9.6482E+04,9.5424E+04,9.4205E+04,9.2801E+04,9.1188E+04,8.9338E+04,8.7211E+04,8.4764E+04,8.1955E+04,7.8726E+04,7.5189E+04,7.1571E+04,6.7955E+04,6.4335E+04,6.0716E+04,5.7103E+04,5.3491E+04,4.9880E+04,4.6270E+04,4.2660E+04,3.9134E+04,3.5772E+04,3.2571E+04,2.9525E+04,2.6619E+04,2.3849E+04,2.1210E+04,1.8691E+04,1.6294E+04,1.4007E+04,1.1827E+04,9.7480E+03,7.7657E+03,5.8994E+03\n\"ZH\",\"m\",1.0185E+01,3.2201E+01,5.7525E+01,8.6591E+01,1.2025E+02,1.5896E+02,2.0359E+02,2.5506E+02,3.1470E+02,3.8391E+02,4.6373E+02,5.5608E+02,6.6344E+02,7.8847E+02,9.3399E+02,1.1036E+03,1.3023E+03,1.5362E+03,1.8123E+03,2.1402E+03,2.5137E+03,2.9121E+03,3.3279E+03,3.7633E+03,4.2196E+03,4.6982E+03,5.2024E+03,5.7352E+03,6.3003E+03,6.9023E+03,7.5321E+03,8.1761E+03,8.8360E+03,9.5136E+03,1.0214E+04,1.0942E+04,1.1705E+04,1.2513E+04,1.3380E+04,1.4326E+04,1.5376E+04,1.6570E+04,1.7970E+04,1.9672E+04\n\"ZF\",\"m\",2.0375E+01,4.4047E+01,7.1039E+01,1.0220E+02,1.3838E+02,1.7964E+02,2.2768E+02,2.8261E+02,3.4703E+02,4.2110E+02,5.0673E+02,6.0590E+02,7.2159E+02,8.5611E+02,1.0129E+03,1.1957E+03,1.4108E+03,1.6641E+03,1.9638E+03,2.3214E+03,2.7111E+03,3.1176E+03,3.5423E+03,3.9880E+03,4.4542E+03,4.9446E+03,5.4620E+03,6.0097E+03,6.5917E+03,7.2132E+03,7.8487E+03,8.4986E+03,9.1656E+03,9.8509E+03,1.0564E+04,1.1305E+04,1.2087E+04,1.2919E+04,1.3819E+04,1.4810E+04,1.5921E+04,1.7203E+04,1.8737E+04,2.0629E+04\n\"NO2\",\"ppmV\",6.6416E-05,6.6871E-05,6.6995E-05,6.6251E-05,6.4791E-05,6.2946E-05,6.0125E-05,5.6347E-05,5.2051E-05,4.6051E-05,4.0643E-05,3.4908E-05,2.8844E-05,2.3595E-05,1.9684E-05,1.6852E-05,1.5218E-05,1.4624E-05,1.4303E-05,1.4142E-05,1.4275E-05,1.4340E-05,1.4250E-05,1.4080E-05,1.3700E-05,1.3191E-05,1.2747E-05,1.2518E-05,1.2453E-05,1.2474E-05,1.2500E-05,1.2349E-05,1.2799E-05,1.4980E-05,1.9595E-05,2.7242E-05,3.8982E-05,5.4613E-05,6.8501E-05,7.6555E-05,7.5536E-05,6.2896E-05,4.7995E-05,4.3004E-05\n\"NO\",\"ppmV\",7.2125E-06,7.3708E-06,7.4578E-06,7.4445E-06,7.3594E-06,7.2401E-06,7.0303E-06,6.6917E-06,6.3132E-06,5.6629E-06,5.0430E-06,4.2686E-06,3.4368E-06,2.7868E-06,2.3603E-06,2.1141E-06,2.1080E-06,2.2536E-06,2.4169E-06,2.6511E-06,2.8859E-06,3.1132E-06,3.2768E-06,3.4103E-06,3.4596E-06,3.4505E-06,3.4404E-06,3.4880E-06,3.5884E-06,3.7997E-06,4.2118E-06,4.7966E-06,5.6269E-06,7.1106E-06,9.8309E-06,1.4418E-05,2.1712E-05,3.2106E-05,4.2984E-05,5.0088E-05,4.8329E-05,3.3660E-05,2.1467E-05,1.6828E-05\n\"O3P\",\"ppmV\",3.8565E-11,3.8774E-11,3.9017E-11,3.9304E-11,3.9635E-11,4.0010E-11,4.0440E-11,4.0903E-11,4.1518E-11,4.2195E-11,4.2961E-11,4.3842E-11,4.4956E-11,4.6991E-11,5.0488E-11,5.5970E-11,6.3681E-11,7.4011E-11,8.6481E-11,1.0145E-10,1.1685E-10,1.3198E-10,1.4992E-10,1.7002E-10,1.9215E-10,2.1593E-10,2.4530E-10,2.7879E-10,3.1688E-10,3.6406E-10,4.2162E-10,4.8799E-10,5.6794E-10,6.8038E-10,8.5598E-10,1.1456E-09,1.6585E-09,2.5890E-09,4.2102E-09,6.8171E-09,1.2136E-08,3.5512E-08,1.0624E-07,3.1938E-07\n\"O3\",\"ppmV\",2.9175E-02,2.9212E-02,2.9237E-02,2.9261E-02,2.9282E-02,2.9294E-02,2.9285E-02,2.9268E-02,2.9236E-02,2.9183E-02,2.9094E-02,2.8951E-02,2.8814E-02,2.8780E-02,2.8908E-02,2.9365E-02,3.0223E-02,3.1446E-02,3.2937E-02,3.4518E-02,3.5985E-02,3.7176E-02,3.8610E-02,4.0036E-02,4.1363E-02,4.2594E-02,4.4067E-02,4.5605E-02,4.7165E-02,4.9155E-02,5.1509E-02,5.3923E-02,5.6682E-02,6.0912E-02,6.7728E-02,7.8214E-02,9.5268E-02,1.2097E-01,1.5442E-01,1.8961E-01,2.4869E-01,5.0406E-01,9.6055E-01,1.5983E+00\n\"NO3\",\"ppmV\",6.3239E-07,6.3023E-07,6.3151E-07,6.4556E-07,6.5635E-07,6.6224E-07,6.6575E-07,6.6570E-07,6.5354E-07,6.3346E-07,5.9811E-07,5.4948E-07,5.0238E-07,4.5992E-07,4.4629E-07,5.0144E-07,6.6674E-07,8.9469E-07,1.0479E-06,1.1333E-06,1.1645E-06,1.1331E-06,1.0786E-06,9.5645E-07,7.9273E-07,6.1975E-07,4.7106E-07,3.5094E-07,2.4854E-07,1.6729E-07,1.1407E-07,8.2662E-08,6.7138E-08,6.1447E-08,6.1893E-08,6.7501E-08,7.9188E-08,9.4982E-08,1.1225E-07,1.2714E-07,1.5253E-07,2.7354E-07,4.6465E-07,7.2979E-07\n\"O1D\",\"ppmV\",1.6680E-16,1.6824E-16,1.6969E-16,1.7139E-16,1.7336E-16,1.7563E-16,1.7820E-16,1.8114E-16,1.8492E-16,1.8893E-16,1.9354E-16,1.9842E-16,2.0425E-16,2.1446E-16,2.3020E-16,2.5385E-16,2.8813E-16,3.3418E-16,3.8904E-16,4.5539E-16,5.2169E-16,5.8509E-16,6.5957E-16,7.4102E-16,8.2638E-16,9.1601E-16,1.0270E-15,1.1484E-15,1.2803E-15,1.4361E-15,1.6180E-15,1.8138E-15,2.0264E-15,2.3043E-15,2.7207E-15,3.3824E-15,4.5020E-15,6.4212E-15,9.5835E-15,1.4107E-14,2.2197E-14,5.6672E-14,1.4333E-13,3.5583E-13\n\"OH\",\"ppmV\",6.0257E-08,6.0452E-08,6.0890E-08,6.1268E-08,6.1599E-08,6.1899E-08,6.2101E-08,6.1966E-08,6.1872E-08,6.0840E-08,5.9571E-08,5.7520E-08,5.4761E-08,5.3234E-08,5.3107E-08,5.3649E-08,5.4789E-08,5.6292E-08,5.7351E-08,5.8706E-08,6.0053E-08,6.1655E-08,6.4520E-08,6.7518E-08,7.0455E-08,7.2308E-08,7.3371E-08,7.3707E-08,7.3616E-08,7.4039E-08,7.5315E-08,7.6337E-08,7.7136E-08,8.0977E-08,9.0723E-08,1.0808E-07,1.3565E-07,1.6986E-07,2.0080E-07,2.1621E-07,2.1041E-07,1.7666E-07,2.0241E-07,3.2347E-07\n\"HO2\",\"ppmV\",4.5776E-06,4.6298E-06,4.6529E-06,4.6612E-06,4.6692E-06,4.6783E-06,4.6847E-06,4.6863E-06,4.6817E-06,4.6378E-06,4.6082E-06,4.5504E-06,4.4590E-06,4.3915E-06,4.3729E-06,4.4360E-06,4.5784E-06,4.7666E-06,4.9391E-06,5.1092E-06,5.2609E-06,5.3674E-06,5.4993E-06,5.6002E-06,5.6491E-06,5.6427E-06,5.6104E-06,5.5505E-06,5.4659E-06,5.3639E-06,5.2341E-06,5.0251E-06,4.7401E-06,4.4441E-06,4.1458E-06,3.7731E-06,3.2729E-06,2.6874E-06,2.1534E-06,1.7736E-06,1.6658E-06,1.8948E-06,2.7505E-06,4.7410E-06\n\"HO2H\",\"ppmV\",5.1128E-04,5.3838E-04,5.5228E-04,5.6388E-04,5.7763E-04,5.9353E-04,6.1284E-04,6.3553E-04,6.5406E-04,6.7245E-04,6.9578E-04,7.2476E-04,7.6345E-04,7.9405E-04,8.1356E-04,8.3012E-04,8.4774E-04,8.5946E-04,8.5617E-04,8.4635E-04,8.3386E-04,8.1462E-04,8.0074E-04,7.7892E-04,7.4954E-04,7.1234E-04,6.7188E-04,6.2844E-04,5.8534E-04,5.3936E-04,4.9701E-04,4.5885E-04,4.1729E-04,3.7210E-04,3.2271E-04,2.6247E-04,1.9002E-04,1.1687E-04,6.1086E-05,3.2219E-05,2.3866E-05,2.5105E-05,3.9866E-05,7.2061E-05\n\"N2O5\",\"ppmV\",1.4375E-07,1.4709E-07,1.5167E-07,1.5903E-07,1.6283E-07,1.6500E-07,1.6458E-07,1.6057E-07,1.5183E-07,1.3934E-07,1.2930E-07,1.1708E-07,1.0381E-07,8.9736E-08,7.8628E-08,8.0162E-08,9.9393E-08,1.2383E-07,1.4304E-07,1.5891E-07,1.7690E-07,1.9811E-07,2.2334E-07,2.5308E-07,2.8381E-07,3.1261E-07,3.4115E-07,3.9116E-07,4.5317E-07,5.0107E-07,5.2425E-07,5.2036E-07,5.5098E-07,6.8349E-07,9.4135E-07,1.3491E-06,1.9204E-06,2.5556E-06,2.9779E-06,3.1016E-06,3.1708E-06,3.5271E-06,3.4359E-06,3.3245E-06\n\"HNO3\",\"ppmV\",1.1265E-05,1.1896E-05,1.2122E-05,1.2228E-05,1.2284E-05,1.2123E-05,1.1850E-05,1.1513E-05,1.0957E-05,1.0199E-05,9.9439E-06,9.8369E-06,9.7639E-06,1.0503E-05,1.2482E-05,1.7998E-05,2.9995E-05,4.7323E-05,6.3910E-05,7.7114E-05,8.3643E-05,8.4341E-05,8.4299E-05,8.2708E-05,7.8905E-05,7.2852E-05,6.8405E-05,6.4564E-05,6.0652E-05,5.5594E-05,5.5257E-05,5.5122E-05,5.4123E-05,5.4742E-05,5.9479E-05,7.0813E-05,8.7695E-05,1.1294E-04,1.3073E-04,1.4017E-04,1.4997E-04,1.6858E-04,1.9492E-04,1.9109E-04\n\"HONO\",\"ppmV\",3.3428E-07,3.4958E-07,3.5813E-07,3.6052E-07,3.5749E-07,3.5063E-07,3.3733E-07,3.1688E-07,2.9525E-07,2.6246E-07,2.2851E-07,1.8710E-07,1.4384E-07,1.1027E-07,8.7757E-08,7.3392E-08,6.7131E-08,6.6303E-08,6.6287E-08,6.7646E-08,6.9351E-08,7.0788E-08,7.1929E-08,7.2739E-08,7.1536E-08,6.8091E-08,6.3856E-08,6.0481E-08,5.8345E-08,5.8221E-08,6.1497E-08,6.7660E-08,7.9080E-08,1.0356E-07,1.5148E-07,2.3827E-07,3.8660E-07,5.9639E-07,7.6695E-07,7.8086E-07,5.6439E-07,2.1447E-07,8.6833E-08,5.8682E-08\n\"HNO4\",\"ppmV\",3.5945E-07,3.7887E-07,3.9310E-07,4.0144E-07,4.0714E-07,4.1237E-07,4.1309E-07,4.0806E-07,4.0122E-07,3.8022E-07,3.6528E-07,3.4873E-07,3.3335E-07,3.1873E-07,3.0628E-07,2.9419E-07,2.9272E-07,3.0072E-07,3.1366E-07,3.5039E-07,4.1949E-07,5.2770E-07,6.9530E-07,9.5198E-07,1.3183E-06,1.8456E-06,2.6647E-06,3.9817E-06,6.0712E-06,9.4194E-06,1.4663E-05,2.1378E-05,2.8056E-05,3.3560E-05,3.7713E-05,3.9710E-05,3.8768E-05,3.4780E-05,2.8660E-05,2.2662E-05,1.9871E-05,2.1243E-05,2.2100E-05,2.1869E-05\n\"SO2\",\"ppmV\",5.4355E-05,5.7123E-05,5.8149E-05,5.8463E-05,5.8357E-05,5.8007E-05,5.6671E-05,5.5215E-05,5.3257E-05,5.0326E-05,4.6945E-05,4.2034E-05,3.5603E-05,2.6485E-05,1.8360E-05,1.5769E-05,1.8670E-05,2.1209E-05,2.4521E-05,2.7210E-05,2.7597E-05,2.6593E-05,2.6638E-05,2.5707E-05,2.4190E-05,2.2350E-05,2.0865E-05,2.0084E-05,2.0071E-05,2.0049E-05,1.8998E-05,1.7031E-05,1.4960E-05,1.3414E-05,1.1827E-05,1.0114E-05,8.7051E-06,7.1918E-06,5.6031E-06,4.0243E-06,2.7778E-06,1.8096E-06,1.1213E-06,8.0725E-07\n\"SULF\",\"ppmV\",1.6687E-07,1.7535E-07,1.7721E-07,1.7677E-07,1.7418E-07,1.7016E-07,1.6121E-07,1.4958E-07,1.3712E-07,1.2094E-07,1.0714E-07,8.9856E-08,7.2616E-08,5.4124E-08,3.7047E-08,3.4783E-08,4.5198E-08,5.9581E-08,6.8019E-08,7.5408E-08,7.8893E-08,7.6362E-08,7.7664E-08,7.7982E-08,7.9026E-08,7.8998E-08,7.7740E-08,7.6924E-08,7.9078E-08,8.1761E-08,8.1616E-08,7.8394E-08,7.6351E-08,7.6352E-08,8.1190E-08,9.1297E-08,1.0113E-07,1.0351E-07,9.5228E-08,7.9420E-08,6.2146E-08,4.3982E-08,3.5559E-08,4.4326E-08\n\"MECO3\",\"ppmV\",1.0728E-07,1.0575E-07,1.0350E-07,1.0097E-07,9.8214E-08,9.5239E-08,9.2255E-08,8.9461E-08,8.6931E-08,8.5824E-08,8.4531E-08,8.3610E-08,8.3536E-08,8.5455E-08,8.9451E-08,9.5305E-08,1.0193E-07,1.1141E-07,1.1903E-07,1.2288E-07,1.2148E-07,1.1758E-07,1.1583E-07,1.1178E-07,1.0572E-07,9.9327E-08,9.3837E-08,8.9390E-08,8.7095E-08,8.6498E-08,8.7375E-08,8.8460E-08,8.8587E-08,8.6356E-08,8.0811E-08,7.0465E-08,5.5109E-08,3.8218E-08,2.3127E-08,1.3485E-08,9.4856E-09,8.3730E-09,8.3286E-09,8.9411E-09\n\"MEO2\",\"ppmV\",8.6952E-06,7.4168E-06,7.1223E-06,7.2182E-06,7.4120E-06,7.5927E-06,7.8101E-06,8.1119E-06,8.4784E-06,9.2304E-06,9.2710E-06,9.2215E-06,9.1680E-06,9.2017E-06,9.3323E-06,9.3486E-06,9.0891E-06,8.6307E-06,8.1396E-06,7.6123E-06,7.1224E-06,6.6961E-06,6.3533E-06,6.0576E-06,5.8203E-06,5.5769E-06,5.3195E-06,4.9929E-06,4.6170E-06,4.1958E-06,3.7361E-06,3.2642E-06,2.7926E-06,2.3178E-06,1.8439E-06,1.3884E-06,9.7968E-07,6.6294E-07,4.8645E-07,4.0785E-07,4.1134E-07,5.6500E-07,8.9815E-07,1.4845E-06\n\"PAN\",\"ppmV\",3.8243E-05,3.8806E-05,3.9058E-05,3.9241E-05,3.9404E-05,3.9558E-05,3.9699E-05,3.9825E-05,3.9932E-05,4.0051E-05,4.0231E-05,4.0538E-05,4.1056E-05,4.2247E-05,4.4205E-05,4.7114E-05,5.0964E-05,5.5650E-05,6.1536E-05,6.7639E-05,7.4276E-05,8.1608E-05,9.2102E-05,1.0601E-04,1.2269E-04,1.4159E-04,1.6071E-04,1.7612E-04,1.8694E-04,1.9341E-04,1.9739E-04,1.9928E-04,1.9854E-04,1.9740E-04,1.9772E-04,1.9429E-04,1.8459E-04,1.6792E-04,1.4105E-04,1.0642E-04,8.3079E-05,6.9653E-05,5.7747E-05,5.0248E-05\n\"CCOOOH\",\"ppmV\",4.3532E-06,4.6037E-06,4.7220E-06,4.8154E-06,4.9123E-06,5.0174E-06,5.1454E-06,5.3221E-06,5.5240E-06,5.7742E-06,6.0594E-06,6.4017E-06,6.8504E-06,7.4089E-06,8.1207E-06,8.9700E-06,9.9642E-06,1.1011E-05,1.1947E-05,1.2607E-05,1.3006E-05,1.3244E-05,1.3781E-05,1.4323E-05,1.4790E-05,1.5375E-05,1.6151E-05,1.6960E-05,1.7750E-05,1.8299E-05,1.8608E-05,1.8730E-05,1.8571E-05,1.7914E-05,1.6436E-05,1.3372E-05,8.9318E-06,4.5201E-06,1.6731E-06,6.6461E-07,4.6454E-07,5.1067E-07,6.0664E-07,6.6332E-07\n\"CCOOH\",\"ppmV\",1.3605E-05,1.4369E-05,1.4778E-05,1.5136E-05,1.5550E-05,1.6066E-05,1.6756E-05,1.7737E-05,1.8752E-05,1.9958E-05,2.1399E-05,2.3199E-05,2.5746E-05,2.8780E-05,3.2251E-05,3.5546E-05,3.9636E-05,4.3827E-05,4.7092E-05,4.9042E-05,4.9284E-05,4.8403E-05,4.9417E-05,5.0776E-05,5.1628E-05,5.2657E-05,5.4240E-05,5.5289E-05,5.5611E-05,5.4577E-05,5.3349E-05,5.2136E-05,5.0333E-05,4.7461E-05,4.3246E-05,3.6361E-05,2.6518E-05,1.5820E-05,7.2913E-06,2.8562E-06,1.6716E-06,1.4615E-06,1.5007E-06,1.5252E-06\n\"RCO3\",\"ppmV\",2.3659E-08,2.3085E-08,2.2546E-08,2.2011E-08,2.1440E-08,2.0811E-08,2.0167E-08,1.9548E-08,1.8964E-08,1.8664E-08,1.8298E-08,1.7982E-08,1.7812E-08,1.7870E-08,1.8226E-08,1.8743E-08,1.9467E-08,2.0470E-08,2.1019E-08,2.0904E-08,2.0019E-08,1.8776E-08,1.8012E-08,1.7468E-08,1.6979E-08,1.6888E-08,1.7354E-08,1.8174E-08,1.9212E-08,2.0124E-08,2.1025E-08,2.1745E-08,2.2215E-08,2.2015E-08,2.0764E-08,1.8119E-08,1.4111E-08,9.8102E-09,6.0356E-09,3.5718E-09,2.5525E-09,2.3566E-09,2.1842E-09,2.0781E-09\n\"CCHO\",\"ppmV\",1.3728E-05,1.4250E-05,1.4492E-05,1.4677E-05,1.4853E-05,1.5019E-05,1.5207E-05,1.5424E-05,1.5655E-05,1.5937E-05,1.6236E-05,1.6556E-05,1.6945E-05,1.7426E-05,1.8005E-05,1.8672E-05,1.9464E-05,2.0296E-05,2.0924E-05,2.1141E-05,2.0945E-05,2.0672E-05,2.0758E-05,2.0852E-05,2.0846E-05,2.0985E-05,2.1247E-05,2.1557E-05,2.1832E-05,2.1872E-05,2.1672E-05,2.1341E-05,2.0864E-05,2.0185E-05,1.9041E-05,1.6786E-05,1.3394E-05,9.7315E-06,6.5760E-06,4.1843E-06,2.9366E-06,2.0830E-06,1.2498E-06,8.2197E-07\n\"PAN2\",\"ppmV\",7.8161E-06,7.8926E-06,7.9267E-06,7.9514E-06,7.9714E-06,7.9893E-06,8.0037E-06,8.0170E-06,8.0248E-06,8.0296E-06,8.0331E-06,8.0443E-06,8.0662E-06,8.1595E-06,8.3115E-06,8.5284E-06,8.8270E-06,9.1799E-06,9.5920E-06,9.9217E-06,1.0204E-05,1.0456E-05,1.0834E-05,1.1200E-05,1.1496E-05,1.1804E-05,1.2089E-05,1.2330E-05,1.2486E-05,1.2526E-05,1.2455E-05,1.2331E-05,1.2079E-05,1.1796E-05,1.1567E-05,1.0610E-05,8.6273E-06,5.9131E-06,3.5697E-06,1.9382E-06,1.3862E-06,1.2815E-06,1.0554E-06,8.0686E-07\n\"HCHO\",\"ppmV\",2.5795E-04,2.7193E-04,2.7877E-04,2.8402E-04,2.8898E-04,2.9310E-04,2.9677E-04,2.9930E-04,2.9971E-04,2.9839E-04,2.9638E-04,2.9094E-04,2.8277E-04,2.7236E-04,2.6224E-04,2.5327E-04,2.4583E-04,2.3869E-04,2.2838E-04,2.1720E-04,2.0510E-04,1.9329E-04,1.8246E-04,1.7096E-04,1.5938E-04,1.4647E-04,1.3313E-04,1.1970E-04,1.0676E-04,9.4700E-05,8.4285E-05,7.5296E-05,6.7521E-05,6.1294E-05,5.6442E-05,5.1736E-05,4.6112E-05,3.9140E-05,3.1669E-05,2.4434E-05,1.8438E-05,1.2607E-05,1.0869E-05,1.2368E-05\n\"COOH\",\"ppmV\",2.1265E-04,2.2404E-04,2.2981E-04,2.3473E-04,2.4031E-04,2.4652E-04,2.5496E-04,2.6659E-04,2.7956E-04,2.9738E-04,3.1988E-04,3.5201E-04,3.9474E-04,4.3913E-04,4.7629E-04,5.0333E-04,5.1665E-04,5.1440E-04,5.0434E-04,4.8549E-04,4.6116E-04,4.3809E-04,4.1876E-04,3.9998E-04,3.8369E-04,3.6829E-04,3.5349E-04,3.3531E-04,3.1436E-04,2.8869E-04,2.5990E-04,2.3151E-04,2.0323E-04,1.7232E-04,1.3846E-04,1.0012E-04,6.0030E-05,2.6926E-05,1.0243E-05,5.1951E-06,4.3639E-06,5.6536E-06,1.0213E-05,1.8874E-05\n\"MEOH\",\"ppmV\",4.3044E-05,4.5316E-05,4.6473E-05,4.7484E-05,4.8688E-05,5.0181E-05,5.2232E-05,5.4935E-05,5.7849E-05,6.1863E-05,6.7482E-05,7.5785E-05,8.7228E-05,9.9928E-05,1.1194E-04,1.2064E-04,1.2606E-04,1.2818E-04,1.2763E-04,1.2412E-04,1.1854E-04,1.1284E-04,1.1063E-04,1.1062E-04,1.1165E-04,1.1429E-04,1.1819E-04,1.2073E-04,1.2163E-04,1.2109E-04,1.2019E-04,1.2172E-04,1.2370E-04,1.2435E-04,1.2369E-04,1.1429E-04,9.3141E-05,6.5659E-05,4.0061E-05,2.0939E-05,1.2361E-05,8.3582E-06,6.3053E-06,5.2752E-06\n\"ROOH\",\"ppmV\",3.3632E-05,3.5771E-05,3.6782E-05,3.7583E-05,3.8381E-05,3.9177E-05,4.0063E-05,4.1176E-05,4.2431E-05,4.3944E-05,4.5684E-05,4.7697E-05,5.0173E-05,5.3095E-05,5.6338E-05,5.9061E-05,6.1315E-05,6.2998E-05,6.3443E-05,6.2780E-05,6.0895E-05,5.8909E-05,5.9074E-05,5.9659E-05,6.0377E-05,6.1569E-05,6.2910E-05,6.3691E-05,6.3653E-05,6.2489E-05,6.0339E-05,5.7425E-05,5.3731E-05,4.8765E-05,4.2221E-05,3.2513E-05,2.0341E-05,9.3402E-06,3.0839E-06,9.9336E-07,6.1620E-07,6.5461E-07,7.8324E-07,8.7889E-07\n\"RNO3\",\"ppmV\",2.3676E-05,2.4037E-05,2.4208E-05,2.4344E-05,2.4466E-05,2.4576E-05,2.4672E-05,2.4767E-05,2.4835E-05,2.4897E-05,2.4941E-05,2.4978E-05,2.5001E-05,2.5064E-05,2.5198E-05,2.5449E-05,2.5927E-05,2.6671E-05,2.7363E-05,2.7816E-05,2.8058E-05,2.8238E-05,2.8911E-05,2.9645E-05,3.0077E-05,3.0188E-05,3.0445E-05,3.1183E-05,3.1965E-05,3.2657E-05,3.3498E-05,3.4384E-05,3.5247E-05,3.6590E-05,3.8857E-05,4.1661E-05,4.4362E-05,4.6752E-05,4.6741E-05,4.4856E-05,4.3046E-05,4.2004E-05,4.1511E-05,4.1157E-05\n\"HCOOH\",\"ppmV\",2.4966E-06,2.6518E-06,2.7347E-06,2.8058E-06,2.8843E-06,2.9814E-06,3.1082E-06,3.2898E-06,3.4700E-06,3.6544E-06,3.8641E-06,4.1128E-06,4.4779E-06,4.9307E-06,5.5120E-06,6.1311E-06,7.0820E-06,8.0481E-06,8.9337E-06,9.5902E-06,1.0006E-05,1.0131E-05,1.0618E-05,1.1279E-05,1.1861E-05,1.2517E-05,1.3392E-05,1.4210E-05,1.5011E-05,1.5788E-05,1.6670E-05,1.7636E-05,1.8513E-05,1.9692E-05,2.1685E-05,2.4394E-05,2.7583E-05,3.0310E-05,3.0495E-05,2.7826E-05,2.3997E-05,2.0253E-05,1.7856E-05,1.6978E-05\n\"CO\",\"ppmV\",7.5955E-02,7.5958E-02,7.5961E-02,7.5965E-02,7.5969E-02,7.5988E-02,7.6017E-02,7.6058E-02,7.6102E-02,7.6147E-02,7.6200E-02,7.6266E-02,7.6353E-02,7.6431E-02,7.6525E-02,7.6687E-02,7.6852E-02,7.7101E-02,7.7255E-02,7.7356E-02,7.7436E-02,7.7468E-02,7.7803E-02,7.8197E-02,7.8505E-02,7.8985E-02,7.9548E-02,7.9959E-02,8.0055E-02,7.9829E-02,7.9312E-02,7.8646E-02,7.7667E-02,7.6315E-02,7.4366E-02,7.1075E-02,6.5669E-02,5.8520E-02,5.0335E-02,4.1951E-02,3.6316E-02,3.1798E-02,2.7969E-02,2.6143E-02\n\"RCHO\",\"ppmV\",3.2993E-06,3.4961E-06,3.5816E-06,3.6421E-06,3.6937E-06,3.7373E-06,3.7780E-06,3.8205E-06,3.8638E-06,3.9103E-06,3.9571E-06,3.9946E-06,4.0258E-06,4.0651E-06,4.0938E-06,4.0956E-06,4.0684E-06,4.0258E-06,3.9122E-06,3.7126E-06,3.4436E-06,3.2096E-06,3.0908E-06,2.9745E-06,2.8615E-06,2.7635E-06,2.6466E-06,2.5162E-06,2.3738E-06,2.2062E-06,2.0084E-06,1.8007E-06,1.5834E-06,1.3669E-06,1.1536E-06,9.1078E-07,6.2454E-07,3.5401E-07,1.6197E-07,4.7762E-08,1.5744E-08,8.3471E-09,5.3306E-09,3.0388E-09\n\"HOCCHO\",\"ppmV\",2.1947E-07,2.3231E-07,2.3727E-07,2.4036E-07,2.4289E-07,2.4496E-07,2.4687E-07,2.4890E-07,2.5145E-07,2.5448E-07,2.5788E-07,2.6147E-07,2.6728E-07,2.7541E-07,2.9021E-07,3.1079E-07,3.3973E-07,3.6222E-07,3.7809E-07,3.8340E-07,3.8015E-07,3.7786E-07,3.8321E-07,3.8494E-07,3.9138E-07,4.0096E-07,4.1415E-07,4.4207E-07,4.7788E-07,5.1588E-07,5.4523E-07,5.5663E-07,5.5040E-07,5.3826E-07,5.1920E-07,4.5816E-07,3.4568E-07,1.9973E-07,8.7440E-08,2.0844E-08,3.5412E-09,1.0280E-09,2.4817E-10,5.7738E-11\n\"GLY\",\"ppmV\",2.5537E-07,2.6832E-07,2.7312E-07,2.7567E-07,2.7818E-07,2.7822E-07,2.7667E-07,2.7527E-07,2.7169E-07,2.6570E-07,2.5881E-07,2.5105E-07,2.4226E-07,2.3378E-07,2.2305E-07,2.2601E-07,2.4016E-07,2.5096E-07,2.6625E-07,2.7482E-07,2.7001E-07,2.6222E-07,2.6705E-07,2.6836E-07,2.6581E-07,2.6344E-07,2.6119E-07,2.5676E-07,2.4975E-07,2.3906E-07,2.2757E-07,2.1480E-07,2.0173E-07,1.9014E-07,1.8267E-07,1.7489E-07,1.5826E-07,1.2619E-07,8.1386E-08,3.5810E-08,1.4916E-08,6.2133E-09,3.0519E-09,2.3157E-09\n\"MGLY\",\"ppmV\",6.5773E-08,6.9345E-08,7.0775E-08,7.1633E-08,7.2315E-08,7.2493E-08,7.2139E-08,7.1882E-08,7.1429E-08,7.0383E-08,6.8797E-08,6.6420E-08,6.3719E-08,6.0198E-08,5.6251E-08,5.4195E-08,5.5289E-08,5.5414E-08,5.5552E-08,5.4325E-08,5.1054E-08,4.7860E-08,4.6957E-08,4.4676E-08,4.1922E-08,3.8618E-08,3.4784E-08,3.1015E-08,2.7478E-08,2.3657E-08,2.0046E-08,1.6866E-08,1.4357E-08,1.2528E-08,1.1268E-08,9.9664E-09,7.8799E-09,5.1047E-09,2.5147E-09,7.2007E-10,1.9692E-10,1.2191E-10,7.4357E-11,5.8247E-11\n\"ALK1\",\"ppmV\",4.5334E-04,4.5337E-04,4.5339E-04,4.5340E-04,4.5336E-04,4.5338E-04,4.5335E-04,4.5343E-04,4.5335E-04,4.5298E-04,4.5212E-04,4.5125E-04,4.5044E-04,4.4929E-04,4.4765E-04,4.4637E-04,4.4436E-04,4.4266E-04,4.3946E-04,4.3437E-04,4.2818E-04,4.2223E-04,4.1901E-04,4.1602E-04,4.1290E-04,4.1197E-04,4.1169E-04,4.0892E-04,4.0380E-04,3.9702E-04,3.8862E-04,3.7915E-04,3.6724E-04,3.5368E-04,3.3886E-04,3.1718E-04,2.8553E-04,2.4667E-04,2.0175E-04,1.5201E-04,1.1769E-04,9.8593E-05,8.3365E-05,7.4939E-05\n\"ETOH\",\"ppmV\",4.8736E-07,5.1500E-07,5.2604E-07,5.3333E-07,5.3977E-07,5.4571E-07,5.5212E-07,5.5981E-07,5.6917E-07,5.8084E-07,5.9488E-07,6.1435E-07,6.4601E-07,6.8986E-07,7.5830E-07,8.3772E-07,9.7557E-07,1.1558E-06,1.3056E-06,1.3915E-06,1.4046E-06,1.3780E-06,1.4153E-06,1.4580E-06,1.5025E-06,1.5503E-06,1.6233E-06,1.7221E-06,1.8429E-06,1.9604E-06,2.0679E-06,2.1654E-06,2.2518E-06,2.2951E-06,2.2723E-06,2.0567E-06,1.5895E-06,9.9747E-07,4.8242E-07,1.3382E-07,3.2627E-08,1.3080E-08,6.2428E-09,2.5258E-09\n\"MEK\",\"ppmV\",3.4601E-04,3.5917E-04,3.6581E-04,3.7141E-04,3.7740E-04,3.8415E-04,3.9233E-04,4.0303E-04,4.1387E-04,4.2685E-04,4.4254E-04,4.6221E-04,4.8988E-04,5.2461E-04,5.6601E-04,6.1180E-04,6.6565E-04,7.2121E-04,7.6532E-04,7.9774E-04,8.1469E-04,8.1898E-04,8.3711E-04,8.5548E-04,8.6709E-04,8.8176E-04,9.0017E-04,9.1383E-04,9.2258E-04,9.2300E-04,9.2141E-04,9.1771E-04,9.0921E-04,8.9623E-04,8.7696E-04,8.3148E-04,7.4857E-04,6.2875E-04,4.7065E-04,2.9329E-04,1.8037E-04,1.0206E-04,5.4843E-05,3.7359E-05\n\"ALK3\",\"ppmV\",3.1699E-04,3.1700E-04,3.1696E-04,3.1686E-04,3.1662E-04,3.1630E-04,3.1570E-04,3.1505E-04,3.1417E-04,3.1301E-04,3.1108E-04,3.0878E-04,3.0581E-04,3.0268E-04,2.9842E-04,2.9211E-04,2.8447E-04,2.7781E-04,2.6984E-04,2.5895E-04,2.4739E-04,2.3755E-04,2.3317E-04,2.2859E-04,2.2406E-04,2.2062E-04,2.1587E-04,2.0945E-04,2.0218E-04,1.9353E-04,1.8284E-04,1.7140E-04,1.5827E-04,1.4395E-04,1.2884E-04,1.0733E-04,7.5679E-05,4.2005E-05,1.7650E-05,3.8091E-06,7.6822E-07,4.7984E-07,4.2271E-07,1.1921E-07\n\"ALK4\",\"ppmV\",3.1699E-04,3.1700E-04,3.1696E-04,3.1686E-04,3.1662E-04,3.1630E-04,3.1570E-04,3.1505E-04,3.1417E-04,3.1301E-04,3.1108E-04,3.0878E-04,3.0581E-04,3.0268E-04,2.9842E-04,2.9211E-04,2.8447E-04,2.7781E-04,2.6984E-04,2.5895E-04,2.4739E-04,2.3755E-04,2.3317E-04,2.2859E-04,2.2406E-04,2.2062E-04,2.1587E-04,2.0945E-04,2.0218E-04,1.9353E-04,1.8284E-04,1.7140E-04,1.5827E-04,1.4395E-04,1.2884E-04,1.0733E-04,7.5679E-05,4.2005E-05,1.7650E-05,3.8091E-06,7.6822E-07,4.7984E-07,4.2271E-07,1.1921E-07\n\"ALK5\",\"ppmV\",3.2660E-04,3.2661E-04,3.2657E-04,3.2647E-04,3.2621E-04,3.2589E-04,3.2527E-04,3.2459E-04,3.2369E-04,3.2250E-04,3.2051E-04,3.1814E-04,3.1507E-04,3.1185E-04,3.0747E-04,3.0096E-04,2.9309E-04,2.8623E-04,2.7801E-04,2.6680E-04,2.5488E-04,2.4475E-04,2.4024E-04,2.3551E-04,2.3085E-04,2.2731E-04,2.2241E-04,2.1579E-04,2.0830E-04,1.9939E-04,1.8838E-04,1.7659E-04,1.6307E-04,1.4832E-04,1.3274E-04,1.1058E-04,7.7973E-05,4.3278E-05,1.8185E-05,3.9245E-06,7.9150E-07,4.9438E-07,4.3552E-07,1.2282E-07\n\"ACETONE\",\"ppmV\",5.9216E-05,6.1870E-05,6.3239E-05,6.4407E-05,6.5695E-05,6.7192E-05,6.9070E-05,7.1577E-05,7.4086E-05,7.7074E-05,8.0693E-05,8.5205E-05,9.1684E-05,9.9688E-05,1.0914E-04,1.1944E-04,1.3180E-04,1.4491E-04,1.5562E-04,1.6437E-04,1.7076E-04,1.7483E-04,1.8264E-04,1.9112E-04,1.9822E-04,2.0647E-04,2.1651E-04,2.2494E-04,2.3145E-04,2.3479E-04,2.3728E-04,2.3986E-04,2.4163E-04,2.4209E-04,2.3901E-04,2.2524E-04,1.9697E-04,1.5650E-04,1.0699E-04,5.6294E-05,2.9127E-05,1.3512E-05,5.4206E-06,2.9543E-06\n\"ALK2\",\"ppmV\",5.1761E-05,5.1764E-05,5.1762E-05,5.1756E-05,5.1734E-05,5.1709E-05,5.1653E-05,5.1603E-05,5.1525E-05,5.1411E-05,5.1189E-05,5.0930E-05,5.0606E-05,5.0316E-05,4.9983E-05,4.9562E-05,4.8942E-05,4.8235E-05,4.7404E-05,4.6220E-05,4.5083E-05,4.4101E-05,4.3413E-05,4.2696E-05,4.1952E-05,4.1428E-05,4.0907E-05,4.0149E-05,3.9167E-05,3.7963E-05,3.6557E-05,3.5158E-05,3.3533E-05,3.1786E-05,2.9892E-05,2.6932E-05,2.2339E-05,1.6778E-05,1.1183E-05,6.1300E-06,3.4362E-06,2.1686E-06,1.3609E-06,1.0026E-06\n\"ACETYLENE\",\"ppmV\",6.2570E-05,6.2589E-05,6.2597E-05,6.2597E-05,6.2587E-05,6.2583E-05,6.2564E-05,6.2550E-05,6.2524E-05,6.2470E-05,6.2359E-05,6.2214E-05,6.2001E-05,6.1837E-05,6.1655E-05,6.1470E-05,6.1133E-05,6.0806E-05,6.0334E-05,5.9839E-05,5.9519E-05,5.9482E-05,6.0299E-05,6.1182E-05,6.2029E-05,6.3174E-05,6.4325E-05,6.5117E-05,6.5487E-05,6.5223E-05,6.4265E-05,6.2838E-05,6.0768E-05,5.7983E-05,5.4419E-05,4.8477E-05,3.9092E-05,2.7904E-05,1.7304E-05,8.6931E-06,4.8405E-06,3.0838E-06,1.9205E-06,1.4497E-06\n\"ETHENE\",\"ppmV\",3.1499E-06,3.1508E-06,3.1507E-06,3.1492E-06,3.1453E-06,3.1414E-06,3.1329E-06,3.1243E-06,3.1123E-06,3.0948E-06,3.0688E-06,3.0415E-06,3.0065E-06,2.9794E-06,2.9452E-06,2.8782E-06,2.8076E-06,2.7311E-06,2.6630E-06,2.5544E-06,2.4327E-06,2.3424E-06,2.3043E-06,2.2421E-06,2.1846E-06,2.1350E-06,2.0635E-06,1.9877E-06,1.9278E-06,1.8526E-06,1.7255E-06,1.5894E-06,1.4524E-06,1.3806E-06,1.3642E-06,1.1747E-06,8.1871E-07,3.8334E-07,1.2948E-07,2.7548E-08,6.5739E-09,2.5192E-09,6.7729E-10,1.3926E-10\n\"OLE1\",\"ppmV\",9.6266E-08,9.7047E-08,9.7191E-08,9.5979E-08,9.3711E-08,9.0950E-08,8.6893E-08,8.1452E-08,7.5240E-08,6.6454E-08,5.8769E-08,5.0846E-08,4.2364E-08,3.5126E-08,2.9229E-08,2.3803E-08,1.9281E-08,1.6055E-08,1.3779E-08,1.1999E-08,1.1151E-08,1.0587E-08,1.0169E-08,1.0109E-08,1.0198E-08,1.0169E-08,1.0026E-08,1.0051E-08,1.0170E-08,1.0189E-08,9.5776E-09,8.9621E-09,7.9902E-09,7.0309E-09,5.5266E-09,3.6554E-09,2.2166E-09,1.0121E-09,3.5941E-10,9.2692E-11,2.6681E-11,8.8100E-12,1.5129E-12,1.0786E-13\n\"PROPENE\",\"ppmV\",3.9320E-08,3.9639E-08,3.9698E-08,3.9203E-08,3.8276E-08,3.7148E-08,3.5491E-08,3.3269E-08,3.0732E-08,2.7143E-08,2.4004E-08,2.0768E-08,1.7304E-08,1.4347E-08,1.1938E-08,9.7224E-09,7.8755E-09,6.5576E-09,5.6280E-09,4.9010E-09,4.5548E-09,4.3244E-09,4.1536E-09,4.1290E-09,4.1655E-09,4.1537E-09,4.0953E-09,4.1053E-09,4.1538E-09,4.1619E-09,3.9120E-09,3.6606E-09,3.2636E-09,2.8718E-09,2.2574E-09,1.4931E-09,9.0536E-10,4.1339E-10,1.4680E-10,3.7860E-11,1.0898E-11,3.5984E-12,6.1793E-13,4.4056E-14\n\"OLE2\",\"ppmV\",7.4448E-09,7.6704E-09,7.7114E-09,7.4720E-09,7.1001E-09,6.6934E-09,6.1508E-09,5.4664E-09,4.7453E-09,3.6848E-09,2.9363E-09,2.2695E-09,1.6421E-09,1.1841E-09,8.8328E-10,6.3624E-10,4.4867E-10,3.0836E-10,2.1244E-10,1.4515E-10,1.1594E-10,1.0050E-10,6.9506E-11,6.1462E-11,6.0797E-11,6.0610E-11,5.8952E-11,5.3390E-11,4.6202E-11,3.8847E-11,3.0215E-11,2.6736E-11,2.7139E-11,2.8214E-11,2.5768E-11,2.1311E-11,1.4407E-11,6.8335E-12,1.7422E-12,1.7716E-13,4.5363E-15,6.8463E-17,5.3885E-19,4.3827E-21\n\"ISOPRENE\",\"ppmV\",9.1576E-09,9.2996E-09,9.3197E-09,9.1265E-09,8.8199E-09,8.4653E-09,7.9663E-09,7.3161E-09,6.6104E-09,5.5801E-09,4.7546E-09,3.9610E-09,3.1208E-09,2.4296E-09,1.9089E-09,1.4651E-09,1.0818E-09,7.7693E-10,5.5930E-10,3.8644E-10,3.0726E-10,2.5750E-10,1.9684E-10,1.7474E-10,1.6637E-10,1.5850E-10,1.4666E-10,1.2618E-10,1.0582E-10,8.7325E-11,6.7775E-11,5.5216E-11,4.6821E-11,3.5271E-11,2.2093E-11,1.2586E-11,5.6529E-12,6.9933E-13,7.6732E-14,1.4907E-15,9.2721E-18,2.4331E-19,9.6984E-21,1.1903E-22\n\"MACR\",\"ppmV\",1.2026E-09,1.2255E-09,1.2393E-09,1.2432E-09,1.2321E-09,1.2118E-09,1.1754E-09,1.1202E-09,1.0529E-09,9.6099E-10,8.6524E-10,7.5597E-10,6.3451E-10,5.2772E-10,4.3704E-10,3.5024E-10,2.7477E-10,2.1661E-10,1.7911E-10,1.4757E-10,1.3322E-10,1.3098E-10,1.2534E-10,1.2378E-10,1.2503E-10,1.2284E-10,1.1778E-10,1.1832E-10,1.2606E-10,1.3628E-10,1.4380E-10,1.4673E-10,1.3400E-10,1.0895E-10,7.0142E-11,3.5707E-11,1.6789E-11,4.2000E-12,7.0294E-13,4.9412E-14,2.6367E-15,1.6618E-16,9.9292E-18,2.7414E-19\n\"MVK\",\"ppmV\",1.6189E-09,1.6498E-09,1.6684E-09,1.6736E-09,1.6585E-09,1.6313E-09,1.5822E-09,1.5079E-09,1.4173E-09,1.2936E-09,1.1648E-09,1.0176E-09,8.5414E-10,7.1040E-10,5.8832E-10,4.7147E-10,3.6988E-10,2.9159E-10,2.4112E-10,1.9865E-10,1.7934E-10,1.7632E-10,1.6872E-10,1.6663E-10,1.6831E-10,1.6536E-10,1.5854E-10,1.5927E-10,1.6969E-10,1.8346E-10,1.9357E-10,1.9752E-10,1.8039E-10,1.4666E-10,9.4422E-11,4.8067E-11,2.2601E-11,5.6539E-12,9.4626E-13,6.6516E-14,3.5494E-15,2.2371E-16,1.3366E-17,3.6903E-19\n\"IPRD\",\"ppmV\",1.8039E-09,1.8383E-09,1.8590E-09,1.8648E-09,1.8481E-09,1.8177E-09,1.7631E-09,1.6802E-09,1.5793E-09,1.4415E-09,1.2979E-09,1.1339E-09,9.5176E-10,7.9158E-10,6.5556E-10,5.2536E-10,4.1215E-10,3.2492E-10,2.6867E-10,2.2136E-10,1.9983E-10,1.9647E-10,1.8801E-10,1.8568E-10,1.8755E-10,1.8426E-10,1.7666E-10,1.7747E-10,1.8908E-10,2.0442E-10,2.1569E-10,2.2009E-10,2.0100E-10,1.6342E-10,1.0521E-10,5.3560E-11,2.5184E-11,6.3000E-12,1.0544E-12,7.4118E-14,3.9550E-15,2.4928E-16,1.4894E-17,4.1121E-19\n\"ISOPOOH\",\"ppmV\",5.5762E-10,5.8797E-10,6.0137E-10,6.0748E-10,6.0869E-10,6.0613E-10,5.9729E-10,5.7983E-10,5.5235E-10,5.0523E-10,4.6259E-10,4.1608E-10,3.6189E-10,3.1027E-10,2.6280E-10,2.1448E-10,1.7319E-10,1.3859E-10,1.1456E-10,9.4406E-11,8.4172E-11,7.8942E-11,7.0598E-11,6.4859E-11,6.1452E-11,5.8280E-11,5.5473E-11,5.4997E-11,5.7903E-11,6.0079E-11,5.8072E-11,5.2444E-11,4.0619E-11,2.9230E-11,1.7927E-11,8.6503E-12,3.2719E-12,6.9161E-13,6.5073E-14,2.0568E-15,1.1283E-16,1.0176E-17,1.1984E-18,3.3218E-20\n\"MACO3\",\"ppmV\",1.3727E-09,1.3622E-09,1.3469E-09,1.3325E-09,1.3173E-09,1.2998E-09,1.2821E-09,1.2682E-09,1.2575E-09,1.2742E-09,1.2809E-09,1.2803E-09,1.2792E-09,1.2917E-09,1.3064E-09,1.3148E-09,1.3100E-09,1.3013E-09,1.2894E-09,1.2713E-09,1.2320E-09,1.2008E-09,1.1949E-09,1.1849E-09,1.1748E-09,1.1676E-09,1.1556E-09,1.1215E-09,1.0768E-09,1.0296E-09,9.7190E-10,9.1975E-10,8.5384E-10,7.8732E-10,7.3324E-10,6.7953E-10,5.8669E-10,4.5367E-10,2.8894E-10,1.2014E-10,5.0076E-11,2.7873E-11,1.6313E-11,1.2535E-11\n\"IEPOX\",\"ppmV\",1.5706E-09,1.6516E-09,1.6902E-09,1.7167E-09,1.7397E-09,1.7583E-09,1.7706E-09,1.7701E-09,1.7466E-09,1.6979E-09,1.6497E-09,1.5976E-09,1.5348E-09,1.4955E-09,1.6012E-09,1.9115E-09,2.2483E-09,2.7065E-09,3.1337E-09,3.5949E-09,4.1005E-09,4.3920E-09,4.6050E-09,5.3094E-09,6.8147E-09,9.3540E-09,1.3356E-08,1.9389E-08,2.9112E-08,4.3840E-08,6.7940E-08,9.5077E-08,1.2364E-07,1.5220E-07,1.6108E-07,1.4789E-07,1.1741E-07,8.0926E-08,4.0449E-08,9.1397E-09,8.5843E-10,1.8749E-10,3.5957E-11,7.2574E-12\n\"IEPOXOO\",\"ppmV\",7.8325E-12,8.0303E-12,8.1629E-12,8.3125E-12,8.4660E-12,8.6023E-12,8.7355E-12,8.8295E-12,8.8536E-12,8.7534E-12,8.5598E-12,8.2506E-12,7.7778E-12,7.4469E-12,7.9220E-12,9.4917E-12,1.0632E-11,1.1134E-11,1.0875E-11,1.1922E-11,1.4028E-11,1.5119E-11,1.6215E-11,1.8276E-11,2.2412E-11,3.1585E-11,4.7053E-11,6.5808E-11,9.3161E-11,1.3676E-10,2.2047E-10,3.0956E-10,3.7457E-10,4.1613E-10,3.9450E-10,3.3083E-10,2.3247E-10,1.5252E-10,8.2003E-11,1.9282E-11,1.6726E-12,6.3584E-13,1.6247E-13,5.6506E-14\n\"TERP\",\"ppmV\",3.5684E-15,3.5876E-15,3.6035E-15,3.6191E-15,3.6354E-15,3.6528E-15,3.6719E-15,3.6937E-15,3.7207E-15,3.7543E-15,3.7964E-15,3.8502E-15,3.9208E-15,4.0196E-15,4.1534E-15,4.3546E-15,4.6876E-15,5.3003E-15,6.3790E-15,8.4465E-15,1.2509E-14,1.7677E-14,1.9689E-14,2.0987E-14,1.9156E-14,1.7425E-14,1.9689E-14,3.2104E-14,6.1164E-14,1.0995E-13,1.6239E-13,1.9287E-13,1.9867E-13,1.9382E-13,2.7988E-13,3.3981E-13,1.2417E-13,1.3148E-14,1.5194E-15,5.7082E-17,2.7401E-19,1.8774E-21,1.2645E-23,1.0008E-24\n\"APIN\",\"ppmV\",3.8924E-20,3.8852E-20,3.8984E-20,3.9129E-20,3.9167E-20,3.9319E-20,3.9351E-20,3.9563E-20,3.9798E-20,4.0089E-20,4.0705E-20,4.1459E-20,4.2568E-20,4.4116E-20,4.6276E-20,4.9782E-20,5.6579E-20,7.7535E-20,1.0108E-19,2.8072E-19,6.3678E-19,8.8247E-19,1.2040E-18,1.9601E-18,3.3639E-18,5.4607E-18,8.0540E-18,1.0883E-17,1.2813E-17,1.3752E-17,1.0947E-17,3.8618E-18,8.0945E-19,4.9805E-20,4.6766E-21,2.7696E-21,1.6447E-21,2.9187E-22,5.3057E-23,1.9771E-24,9.6012E-25,9.6215E-25,9.5566E-25,9.4302E-25\n\"BENZENE\",\"ppmV\",2.1689E-05,2.1711E-05,2.1721E-05,2.1726E-05,2.1727E-05,2.1728E-05,2.1722E-05,2.1719E-05,2.1715E-05,2.1702E-05,2.1666E-05,2.1615E-05,2.1513E-05,2.1456E-05,2.1376E-05,2.1305E-05,2.1159E-05,2.1023E-05,2.0877E-05,2.0685E-05,2.0565E-05,2.0547E-05,2.0912E-05,2.1236E-05,2.1528E-05,2.1931E-05,2.2215E-05,2.2293E-05,2.2210E-05,2.1914E-05,2.1287E-05,2.0513E-05,1.9521E-05,1.8313E-05,1.6933E-05,1.4754E-05,1.1364E-05,7.4759E-06,4.1283E-06,1.6825E-06,7.7383E-07,4.4254E-07,2.3596E-07,1.5562E-07\n\"CRES\",\"ppmV\",1.1160E-07,1.1814E-07,1.2094E-07,1.2282E-07,1.2438E-07,1.2577E-07,1.2705E-07,1.2848E-07,1.3013E-07,1.3253E-07,1.3508E-07,1.3807E-07,1.4124E-07,1.4467E-07,1.4798E-07,1.5111E-07,1.5092E-07,1.4991E-07,1.4644E-07,1.4254E-07,1.3946E-07,1.4240E-07,1.5099E-07,1.6150E-07,1.7383E-07,1.9020E-07,2.0719E-07,2.2172E-07,2.3185E-07,2.3745E-07,2.3586E-07,2.2849E-07,2.1502E-07,1.9550E-07,1.6850E-07,1.3109E-07,8.5630E-08,4.4901E-08,1.8996E-08,6.2644E-09,2.5364E-09,1.2379E-09,6.2989E-10,4.4300E-10\n\"AFG1\",\"ppmV\",2.5211E-08,2.5700E-08,2.5901E-08,2.5994E-08,2.5996E-08,2.5969E-08,2.5844E-08,2.5678E-08,2.5458E-08,2.5117E-08,2.4690E-08,2.4219E-08,2.3701E-08,2.3144E-08,2.2396E-08,2.1419E-08,2.0112E-08,1.8904E-08,1.7650E-08,1.6309E-08,1.5143E-08,1.4584E-08,1.4586E-08,1.4723E-08,1.4974E-08,1.5378E-08,1.5602E-08,1.5625E-08,1.5550E-08,1.5309E-08,1.4929E-08,1.4687E-08,1.4365E-08,1.3963E-08,1.3749E-08,1.3349E-08,1.1983E-08,9.1937E-09,5.6476E-09,2.1579E-09,7.6360E-10,2.8235E-10,1.0276E-10,5.9033E-11\n\"AFG2\",\"ppmV\",2.5211E-08,2.5700E-08,2.5901E-08,2.5994E-08,2.5996E-08,2.5969E-08,2.5844E-08,2.5678E-08,2.5458E-08,2.5117E-08,2.4690E-08,2.4219E-08,2.3701E-08,2.3144E-08,2.2396E-08,2.1419E-08,2.0112E-08,1.8904E-08,1.7650E-08,1.6309E-08,1.5143E-08,1.4584E-08,1.4586E-08,1.4723E-08,1.4974E-08,1.5378E-08,1.5602E-08,1.5625E-08,1.5550E-08,1.5309E-08,1.4929E-08,1.4687E-08,1.4365E-08,1.3963E-08,1.3749E-08,1.3349E-08,1.1983E-08,9.1937E-09,5.6476E-09,2.1579E-09,7.6360E-10,2.8235E-10,1.0276E-10,5.9033E-11\n\"BENZRO2\",\"ppmV\",4.1125E-09,3.9884E-09,3.9593E-09,3.9769E-09,4.0071E-09,4.0410E-09,4.0868E-09,4.1525E-09,4.2415E-09,4.4159E-09,4.5229E-09,4.5899E-09,4.6308E-09,4.6847E-09,4.7405E-09,4.7882E-09,4.7643E-09,4.7563E-09,4.7022E-09,4.4503E-09,4.0655E-09,3.7084E-09,3.5568E-09,3.4512E-09,3.3712E-09,3.3097E-09,3.2483E-09,3.1509E-09,3.0322E-09,2.8689E-09,2.6821E-09,2.4911E-09,2.2626E-09,2.0280E-09,1.8105E-09,1.5933E-09,1.3135E-09,9.6494E-10,6.1391E-10,2.8676E-10,1.4746E-10,1.1097E-10,8.2749E-11,6.9798E-11\n\"ARO1\",\"ppmV\",4.0408E-06,4.0453E-06,4.0463E-06,4.0441E-06,4.0378E-06,4.0301E-06,4.0154E-06,3.9980E-06,3.9764E-06,3.9453E-06,3.9047E-06,3.8587E-06,3.7993E-06,3.7523E-06,3.6969E-06,3.6142E-06,3.5179E-06,3.4366E-06,3.3696E-06,3.2480E-06,3.1204E-06,3.0463E-06,3.0588E-06,3.0223E-06,2.9837E-06,2.9359E-06,2.8266E-06,2.7022E-06,2.5969E-06,2.4624E-06,2.2395E-06,1.9931E-06,1.7713E-06,1.5982E-06,1.4274E-06,1.1369E-06,7.4019E-07,3.3115E-07,1.0221E-07,1.6528E-08,1.9982E-09,5.0361E-10,1.3658E-10,3.8048E-11\n\"TOLRO2\",\"ppmV\",3.7487E-09,3.6253E-09,3.5987E-09,3.6153E-09,3.6422E-09,3.6719E-09,3.7108E-09,3.7638E-09,3.8413E-09,3.9708E-09,4.0501E-09,4.0824E-09,4.0838E-09,4.1461E-09,4.2468E-09,4.2310E-09,4.1903E-09,4.1577E-09,4.2302E-09,4.0821E-09,3.4705E-09,2.9005E-09,2.5789E-09,2.3755E-09,2.2658E-09,2.1815E-09,2.0753E-09,1.9671E-09,1.8845E-09,1.7798E-09,1.6298E-09,1.4721E-09,1.2779E-09,1.1058E-09,9.3669E-10,7.4673E-10,5.0696E-10,2.8337E-10,1.2348E-10,2.8039E-11,4.0411E-12,1.2498E-12,4.7962E-13,1.6118E-13\n\"AFG3\",\"ppmV\",7.5984E-09,7.8647E-09,7.9695E-09,7.9967E-09,7.9590E-09,7.8957E-09,7.7683E-09,7.6038E-09,7.4121E-09,7.1329E-09,6.8070E-09,6.4492E-09,6.0846E-09,5.7482E-09,5.4125E-09,4.9824E-09,4.5295E-09,4.1125E-09,3.7842E-09,3.3778E-09,2.9629E-09,2.7114E-09,2.5978E-09,2.5184E-09,2.4623E-09,2.4009E-09,2.2830E-09,2.1323E-09,1.9792E-09,1.8035E-09,1.5922E-09,1.4477E-09,1.3377E-09,1.2441E-09,1.1735E-09,1.0737E-09,8.8018E-10,5.3905E-10,2.3523E-10,4.9634E-11,4.5887E-12,7.9870E-13,1.4668E-13,2.3167E-14\n\"ARO2MN\",\"ppmV\",2.4070E-07,2.4157E-07,2.4176E-07,2.4073E-07,2.3860E-07,2.3596E-07,2.3184E-07,2.2638E-07,2.1988E-07,2.1071E-07,2.0161E-07,1.9196E-07,1.8103E-07,1.7151E-07,1.6249E-07,1.5174E-07,1.4248E-07,1.3601E-07,1.2995E-07,1.2013E-07,1.1016E-07,1.0286E-07,1.0067E-07,9.7397E-08,9.4255E-08,9.0088E-08,8.4206E-08,7.7766E-08,7.1500E-08,6.4211E-08,5.3674E-08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1.7632E-07,1.5959E-07,1.4067E-07,1.1852E-07,9.8422E-08,8.1299E-08,6.9133E-08,5.9931E-08,4.9354E-08,3.6310E-08,2.3416E-08,1.3646E-08,6.1147E-09,3.0228E-09,2.0318E-09,1.0725E-09,5.9353E-10\n\"CL2\",\"ppmV\",3.1848E-06,2.6677E-06,2.4102E-06,2.2170E-06,2.0493E-06,1.9080E-06,1.7606E-06,1.6100E-06,1.4836E-06,1.3416E-06,1.1880E-06,1.0121E-06,7.9241E-07,6.0468E-07,4.6666E-07,3.4868E-07,2.4791E-07,1.7232E-07,1.2027E-07,8.0447E-08,6.2435E-08,5.0828E-08,3.3165E-08,2.6918E-08,2.5112E-08,2.3919E-08,2.2252E-08,1.8923E-08,1.5736E-08,1.2735E-08,9.9306E-09,8.1697E-09,7.2023E-09,6.1694E-09,4.4518E-09,2.6316E-09,1.2957E-09,1.1998E-10,1.0892E-11,2.5351E-12,7.7601E-12,9.1336E-11,7.9534E-10,2.4531E-09\n\"CL\",\"ppmV\",1.8843E-10,1.3969E-10,1.2353E-10,1.1553E-10,1.1089E-10,1.0899E-10,1.0886E-10,1.0821E-10,1.0926E-10,1.0852E-10,1.0576E-10,1.0332E-10,9.2251E-11,9.0735E-11,9.4689E-11,9.1533E-11,7.8429E-11,6.9207E-11,6.3123E-11,6.0639E-11,4.8241E-11,4.1446E-11,3.7541E-11,3.2142E-11,3.1487E-11,3.1442E-11,3.2179E-11,3.3198E-11,3.4556E-11,3.6412E-11,4.1071E-11,4.6090E-11,4.7219E-11,4.8981E-11,5.6154E-11,7.1786E-11,9.8825E-11,1.4906E-10,2.2160E-10,3.1198E-10,3.6166E-10,3.0542E-10,3.1625E-10,3.0533E-10\n\"CLO\",\"ppmV\",1.3283E-07,1.0466E-07,9.5584E-08,9.1686E-08,9.0230E-08,9.0699E-08,9.3417E-08,9.6647E-08,1.0292E-07,1.1146E-07,1.2050E-07,1.2621E-07,1.2727E-07,1.3464E-07,1.4718E-07,1.4788E-07,1.3334E-07,1.2221E-07,1.1028E-07,9.6880E-08,7.3462E-08,6.0973E-08,5.6190E-08,5.0036E-08,5.0038E-08,5.0721E-08,5.3447E-08,5.6678E-08,6.0198E-08,6.4076E-08,7.0631E-08,7.5324E-08,7.1191E-08,6.2469E-08,5.8027E-08,5.9170E-08,6.7326E-08,9.0000E-08,1.2622E-07,1.7831E-07,2.8273E-07,7.3665E-07,2.2681E-06,4.7181E-06\n\"CLCHO\",\"ppmV\",4.9595E-06,4.9899E-06,5.0055E-06,5.0185E-06,5.0308E-06,5.0438E-06,5.0573E-06,5.0739E-06,5.0903E-06,5.1070E-06,5.1230E-06,5.1384E-06,5.1520E-06,5.1809E-06,5.2207E-06,5.2687E-06,5.2977E-06,5.3080E-06,5.3103E-06,5.2814E-06,5.2354E-06,5.2077E-06,5.2365E-06,5.2482E-06,5.2406E-06,5.2472E-06,5.2341E-06,5.1959E-06,5.1289E-06,5.0105E-06,4.8358E-06,4.6341E-06,4.3949E-06,4.1178E-06,3.7891E-06,3.3244E-06,2.6625E-06,1.9341E-06,1.2317E-06,6.4416E-07,3.6598E-07,2.2677E-07,1.3216E-07,9.1725E-08\n\"HCL\",\"ppmV\",1.4001E-04,1.4003E-04,1.3847E-04,1.3679E-04,1.3471E-04,1.3149E-04,1.2755E-04,1.2246E-04,1.1658E-04,1.1020E-04,1.0249E-04,9.3975E-05,8.6557E-05,8.2115E-05,8.1151E-05,7.8217E-05,7.5829E-05,8.1217E-05,8.5392E-05,8.4884E-05,8.1505E-05,7.6030E-05,7.2529E-05,6.6630E-05,6.2027E-05,5.8353E-05,5.6403E-05,5.5783E-05,5.5710E-05,5.6300E-05,5.9520E-05,6.3201E-05,6.1118E-05,5.8580E-05,5.8015E-05,6.2532E-05,6.7257E-05,7.7093E-05,9.0043E-05,1.0216E-04,1.0779E-04,1.0657E-04,9.5006E-05,8.1132E-05\n\"CLNO2\",\"ppmV\",1.3426E-06,1.3416E-06,1.3430E-06,1.3453E-06,1.3335E-06,1.3090E-06,1.2764E-06,1.2294E-06,1.1706E-06,1.0923E-06,1.0109E-06,9.1656E-07,8.1551E-07,7.0072E-07,5.8106E-07,4.6328E-07,3.6665E-07,2.8670E-07,2.1487E-07,1.5927E-07,1.3327E-07,1.1483E-07,1.0672E-07,1.0226E-07,9.6559E-08,9.0085E-08,8.5294E-08,7.8934E-08,7.0885E-08,6.0477E-08,4.7539E-08,3.6601E-08,3.0116E-08,2.4578E-08,1.7645E-08,1.1109E-08,5.8601E-09,1.4096E-09,1.7603E-10,5.5964E-12,2.1417E-14,1.5474E-16,2.4290E-18,4.1856E-20\n\"CLONO2\",\"ppmV\",1.6844E-06,1.7206E-06,1.7215E-06,1.7129E-06,1.6932E-06,1.6697E-06,1.6437E-06,1.6092E-06,1.5720E-06,1.5121E-06,1.4376E-06,1.3294E-06,1.2029E-06,1.0975E-06,1.0140E-06,8.8663E-07,7.8837E-07,7.3137E-07,7.0911E-07,6.7685E-07,6.1126E-07,5.6417E-07,5.3424E-07,5.0338E-07,4.7581E-07,4.4606E-07,4.3150E-07,4.1606E-07,3.9734E-07,3.8646E-07,4.0000E-07,4.0564E-07,3.8071E-07,3.5143E-07,3.5931E-07,4.1341E-07,5.4534E-07,7.7984E-07,1.0939E-06,1.3964E-06,1.9877E-06,4.4431E-06,9.9405E-06,1.3753E-05\n\"SESQ\",\"ppmV\",1.0291E-21,1.0505E-21,1.0549E-21,1.0488E-21,1.0173E-21,9.7724E-22,9.3585E-22,8.9413E-22,8.6027E-22,8.5445E-22,8.6817E-22,8.8141E-22,9.0237E-22,9.3247E-22,9.5750E-22,9.6989E-22,9.6659E-22,9.6455E-22,9.5785E-22,9.4554E-22,9.7628E-22,1.0001E-21,7.6756E-22,7.6844E-22,8.1954E-22,8.7543E-22,9.0393E-22,8.8117E-22,7.7182E-22,6.4036E-22,4.0706E-22,3.2135E-22,2.6878E-22,2.2622E-22,1.8010E-22,1.5230E-22,9.1786E-23,7.7408E-25,1.0346E-25,1.0195E-25,6.1488E-26,4.0527E-27,9.1608E-30,1.0107E-30\n\"SOAALK\",\"ppmV\",3.2902E-06,3.2927E-06,3.2923E-06,3.2862E-06,3.2731E-06,3.2579E-06,3.2318E-06,3.1995E-06,3.1586E-06,3.1004E-06,3.0298E-06,2.9540E-06,2.8624E-06,2.7787E-06,2.6807E-06,2.5322E-06,2.3802E-06,2.2331E-06,2.0941E-06,1.8898E-06,1.7153E-06,1.5687E-06,1.4614E-06,1.3605E-06,1.2615E-06,1.1535E-06,1.0381E-06,9.1650E-07,7.9913E-07,6.7184E-07,5.2908E-07,4.1095E-07,3.2078E-07,2.6131E-07,2.1400E-07,1.5492E-07,9.1077E-08,3.5906E-08,1.0296E-08,2.1715E-09,6.4111E-10,2.5073E-10,6.2314E-11,1.0491E-11\n\"H2NO3PIJ\",\"ppmV\",3.2214E-20,3.2302E-20,3.3507E-20,3.5500E-20,3.6431E-20,3.6904E-20,3.6714E-20,3.5586E-20,3.3849E-20,3.1495E-20,2.9055E-20,2.6019E-20,2.3079E-20,1.9330E-20,1.5957E-20,1.3493E-20,1.1570E-20,8.7498E-21,7.3467E-21,6.7669E-21,6.5215E-21,5.7920E-21,5.2269E-21,4.9839E-21,4.8351E-21,5.2875E-21,5.7034E-21,5.7684E-21,5.9676E-21,5.9546E-21,5.4420E-21,4.6943E-21,4.2766E-21,4.4008E-21,5.1828E-21,6.1186E-21,7.5749E-21,8.4282E-21,6.5585E-21,3.5641E-21,1.2524E-21,7.1552E-22,4.4812E-22,2.7026E-22\n\"H2NO3PK\",\"ppmV\",2.3949E-20,2.4131E-20,2.4846E-20,2.5952E-20,2.6507E-20,2.6779E-20,2.6681E-20,2.6021E-20,2.5108E-20,2.3609E-20,2.2026E-20,2.0007E-20,1.7786E-20,1.4716E-20,1.1615E-20,9.3227E-21,7.4031E-21,5.6597E-21,4.3658E-21,3.6611E-21,3.4015E-21,3.2264E-21,3.1878E-21,3.2211E-21,3.2343E-21,3.2205E-21,3.2063E-21,3.2207E-21,3.1974E-21,3.0606E-21,2.7590E-21,2.3600E-21,2.1802E-21,2.2215E-21,2.3795E-21,2.5630E-21,2.5929E-21,2.3184E-21,1.7921E-21,1.1906E-21,7.3125E-22,5.3589E-22,3.0995E-22,1.6079E-22\n\"VLVPO1\",\"ppmV\",2.7955E-07,2.7459E-07,2.6892E-07,2.6229E-07,2.5480E-07,2.4638E-07,2.3701E-07,2.2764E-07,2.1712E-07,2.0496E-07,1.9199E-07,1.7799E-07,1.6454E-07,1.5078E-07,1.3685E-07,1.2617E-07,1.2008E-07,1.1646E-07,1.0941E-07,9.8521E-08,8.4277E-08,6.9052E-08,5.5626E-08,4.3102E-08,3.2014E-08,2.2979E-08,1.5618E-08,9.8896E-09,5.7276E-09,3.0475E-09,1.4824E-09,6.5735E-10,2.6702E-10,1.0084E-10,3.7649E-11,1.5864E-11,8.6204E-12,5.5502E-12,3.6942E-12,2.4169E-12,1.5758E-12,1.2217E-12,1.2904E-12,2.1679E-12\n\"VSVPO1\",\"ppmV\",1.2367E-07,1.2534E-07,1.2533E-07,1.2437E-07,1.2276E-07,1.2056E-07,1.1769E-07,1.1430E-07,1.1072E-07,1.0605E-07,1.0145E-07,9.6525E-08,9.1134E-08,8.6646E-08,8.3962E-08,8.4156E-08,8.7618E-08,9.2388E-08,9.5026E-08,9.2721E-08,8.3785E-08,7.2349E-08,6.1564E-08,5.2963E-08,4.4686E-08,3.6185E-08,2.8072E-08,2.0257E-08,1.3849E-08,8.9516E-09,5.2835E-09,2.8196E-09,1.3735E-09,6.3929E-10,3.0394E-10,1.6432E-10,1.0651E-10,7.6755E-11,5.6105E-11,4.0281E-11,2.8753E-11,2.3911E-11,2.5923E-11,4.2383E-11\n\"VSVPO2\",\"ppmV\",5.6335E-08,5.9299E-08,6.0694E-08,6.0981E-08,6.0515E-08,5.9500E-08,5.7580E-08,5.4709E-08,5.1183E-08,4.6039E-08,4.1504E-08,3.6731E-08,3.1642E-08,2.7448E-08,2.4564E-08,2.2391E-08,2.2133E-08,2.1783E-08,2.3876E-08,2.4735E-08,2.5719E-08,2.7509E-08,2.8735E-08,3.0320E-08,3.1613E-08,3.1750E-08,3.0364E-08,2.6320E-08,2.1248E-08,1.6875E-08,1.2895E-08,8.7602E-09,5.4861E-09,3.4693E-09,2.3197E-09,1.6844E-09,1.3274E-09,1.0763E-09,8.4084E-10,6.2011E-10,4.4049E-10,3.3584E-10,3.1126E-10,4.3337E-10\n\"VSVPO3\",\"ppmV\",4.7055E-08,4.9941E-08,5.1304E-08,5.1455E-08,5.0794E-08,4.9661E-08,4.7603E-08,4.4565E-08,4.0809E-08,3.5263E-08,3.0639E-08,2.5902E-08,2.0850E-08,1.6487E-08,1.2990E-08,9.9280E-09,7.3907E-09,5.3751E-09,4.0517E-09,2.9879E-09,2.4000E-09,2.1093E-09,1.7883E-09,1.6747E-09,1.6830E-09,1.7728E-09,1.9425E-09,2.2029E-09,2.4028E-09,2.5062E-09,2.5161E-09,2.3831E-09,2.1281E-09,1.8614E-09,1.6502E-09,1.4452E-09,1.2499E-09,1.0501E-09,7.5075E-10,4.6197E-10,2.7494E-10,1.6689E-10,8.9911E-11,5.1560E-11\n\"VIVPO1\",\"ppmV\",1.1971E-07,1.2712E-07,1.3060E-07,1.3093E-07,1.2913E-07,1.2613E-07,1.2075E-07,1.1281E-07,1.0300E-07,8.8524E-08,7.6548E-08,6.4336E-08,5.1345E-08,4.0157E-08,3.1187E-08,2.3309E-08,1.6579E-08,1.1237E-08,7.6670E-09,4.9486E-09,3.5677E-09,2.8144E-09,1.7742E-09,1.3801E-09,1.2816E-09,1.2381E-09,1.2299E-09,1.2426E-09,1.2786E-09,1.3129E-09,1.2832E-09,1.2156E-09,1.1081E-09,1.0755E-09,1.0121E-09,7.9901E-10,6.0746E-10,4.4719E-10,2.3661E-10,8.7199E-11,3.1574E-11,1.2463E-11,2.7118E-12,2.8443E-13\n\"VLVOO1\",\"ppmV\",1.5069E-07,1.4599E-07,1.4135E-07,1.3634E-07,1.3091E-07,1.2492E-07,1.1843E-07,1.1150E-07,1.0403E-07,9.6136E-08,8.8130E-08,7.9968E-08,7.1840E-08,6.3883E-08,5.6413E-08,5.0539E-08,4.5756E-08,4.1372E-08,3.7022E-08,3.2158E-08,2.5976E-08,1.9739E-08,1.4098E-08,9.4759E-09,5.9634E-09,3.5977E-09,2.0997E-09,1.1725E-09,6.1800E-10,2.9943E-10,1.3217E-10,5.3279E-11,1.9475E-11,6.4347E-12,1.9529E-12,6.1486E-13,2.5708E-13,1.3974E-13,8.4263E-14,5.0222E-14,2.8937E-14,1.5022E-14,1.4670E-14,3.9369E-14\n\"VLVOO2\",\"ppmV\",1.6734E-07,1.6541E-07,1.6266E-07,1.5938E-07,1.5570E-07,1.5144E-07,1.4668E-07,1.4190E-07,1.3635E-07,1.2995E-07,1.2305E-07,1.1543E-07,1.0819E-07,1.0021E-07,9.1506E-08,8.4633E-08,8.0068E-08,7.6653E-08,7.1480E-08,6.3778E-08,5.3725E-08,4.3290E-08,3.3933E-08,2.5491E-08,1.8319E-08,1.2831E-08,8.5771E-09,5.4230E-09,3.1818E-09,1.7155E-09,8.4384E-10,3.7860E-10,1.5454E-10,5.8189E-11,2.0999E-11,8.2493E-12,4.2151E-12,2.6472E-12,1.7664E-12,1.1700E-12,7.7636E-13,6.0708E-13,6.4542E-13,1.0914E-12\n\"VSVOO1\",\"ppmV\",8.1698E-09,8.3944E-09,8.4778E-09,8.5238E-09,8.5703E-09,8.5952E-09,8.6074E-09,8.6194E-09,8.5729E-09,8.4733E-09,8.3269E-09,8.0902E-09,7.7953E-09,7.3198E-09,6.7923E-09,6.3620E-09,6.0613E-09,5.8005E-09,5.4223E-09,4.8747E-09,4.1473E-09,3.3928E-09,2.6384E-09,1.9856E-09,1.4470E-09,1.0280E-09,7.1506E-10,4.8382E-10,3.1764E-10,2.0269E-10,1.2352E-10,7.0534E-11,3.6831E-11,1.7630E-11,7.7682E-12,3.3566E-12,1.6507E-12,9.7324E-13,6.4727E-13,4.5635E-13,3.2885E-13,2.7032E-13,2.9452E-13,4.9153E-13\n\"VSVOO2\",\"ppmV\",2.5130E-08,2.6233E-08,2.6750E-08,2.7123E-08,2.7494E-08,2.7798E-08,2.8079E-08,2.8352E-08,2.8425E-08,2.8282E-08,2.7910E-08,2.7167E-08,2.6113E-08,2.4387E-08,2.2509E-08,2.0988E-08,1.9862E-08,1.8841E-08,1.7455E-08,1.5533E-08,1.3120E-08,1.0668E-08,8.1997E-09,6.1369E-09,4.5066E-09,3.2623E-09,2.3510E-09,1.6609E-09,1.1505E-09,7.9071E-10,5.4426E-10,3.7203E-10,2.5493E-10,1.7366E-10,1.1459E-10,7.2703E-11,4.6561E-11,3.2299E-11,2.3664E-11,1.8376E-11,1.4295E-11,1.1541E-11,1.1556E-11,1.7027E-11\n\"VSVOO3\",\"ppmV\",4.1746E-08,4.3688E-08,4.4622E-08,4.5314E-08,4.6007E-08,4.6600E-08,4.7175E-08,4.7770E-08,4.8011E-08,4.7875E-08,4.7335E-08,4.6183E-08,4.4537E-08,4.1711E-08,3.8558E-08,3.6035E-08,3.4169E-08,3.2495E-08,3.0124E-08,2.6757E-08,2.2602E-08,1.8367E-08,1.4104E-08,1.0525E-08,7.6546E-09,5.4877E-09,3.8946E-09,2.7178E-09,1.8964E-09,1.3388E-09,9.7168E-10,7.2623E-10,5.4705E-10,4.1172E-10,3.0211E-10,2.0931E-10,1.2633E-10,6.8487E-11,3.8847E-11,2.8151E-11,2.5152E-11,2.0025E-11,1.2591E-11,8.1505E-12\n\"PCVOC\",\"ppmV\",4.9809E-15,5.2824E-15,5.3892E-15,5.4491E-15,5.4907E-15,5.5230E-15,5.5512E-15,5.5783E-15,5.6060E-15,5.6358E-15,5.6692E-15,5.7098E-15,5.7597E-15,5.8344E-15,5.9542E-15,6.1542E-15,6.5551E-15,7.0948E-15,7.8255E-15,8.5945E-15,9.0104E-15,9.2048E-15,9.6979E-15,1.0158E-14,1.0744E-14,1.1224E-14,1.1675E-14,1.2132E-14,1.2885E-14,1.3159E-14,1.3940E-14,1.4285E-14,1.3911E-14,1.2792E-14,1.0844E-14,9.3133E-15,8.1628E-15,7.9231E-15,7.4709E-15,6.1903E-15,3.6407E-15,1.7913E-15,7.1677E-16,3.3191E-16\n\"HCHO_PRIMARY\",\"ppmV\",2.5012E-10,2.6717E-10,2.7332E-10,2.7687E-10,2.7977E-10,2.8206E-10,2.8434E-10,2.8667E-10,2.8911E-10,2.9243E-10,2.9694E-10,3.0568E-10,3.2161E-10,3.3363E-10,3.3087E-10,2.9404E-10,2.8284E-10,2.5577E-10,2.1545E-10,1.9225E-10,1.6368E-10,1.6817E-10,1.4965E-10,1.2709E-10,1.0416E-10,8.0847E-11,6.6566E-11,6.4618E-11,6.6754E-11,7.0054E-11,7.2839E-11,7.2792E-11,6.1865E-11,4.5036E-11,3.1081E-11,2.4660E-11,1.4797E-11,2.9602E-12,4.4945E-13,4.2856E-14,1.7850E-15,6.0964E-17,1.7957E-18,8.3286E-20\n\"CCHO_PRIMARY\",\"ppmV\",2.3893E-08,2.4849E-08,2.5181E-08,2.5365E-08,2.5499E-08,2.5602E-08,2.5700E-08,2.5799E-08,2.5908E-08,2.6068E-08,2.6245E-08,2.6463E-08,2.6810E-08,2.7395E-08,2.8164E-08,2.8614E-08,2.9713E-08,3.0117E-08,3.0398E-08,2.8338E-08,2.6521E-08,2.4351E-08,2.2033E-08,1.8824E-08,1.5931E-08,1.3898E-08,1.2790E-08,1.2199E-08,1.1966E-08,1.1769E-08,1.0900E-08,9.4036E-09,7.3057E-09,6.5700E-09,6.9276E-09,5.5587E-09,2.9329E-09,7.9726E-10,1.5177E-10,1.4108E-11,1.1424E-12,1.5084E-13,2.7598E-14,2.6340E-15\n\"BUTADIENE13\",\"ppmV\",2.5111E-12,2.5137E-12,2.5150E-12,2.5160E-12,2.5166E-12,2.5172E-12,2.5155E-12,2.5142E-12,2.5094E-12,2.5063E-12,2.4977E-12,2.4856E-12,2.4740E-12,2.4601E-12,2.4391E-12,2.3995E-12,2.3210E-12,2.2714E-12,2.3117E-12,2.4808E-12,2.1966E-12,1.6446E-12,1.2773E-12,1.1325E-12,1.0548E-12,8.2465E-13,5.4577E-13,3.7846E-13,2.7977E-13,2.0334E-13,8.4821E-14,2.9176E-14,2.0918E-14,3.4013E-14,4.1583E-14,4.6071E-14,2.1185E-14,1.9374E-15,5.5738E-17,2.7811E-18,2.5383E-19,2.3717E-20,2.0785E-21,2.0317E-22\n\"ACROLEIN\",\"ppmV\",2.4148E-10,2.4720E-10,2.4935E-10,2.5060E-10,2.5162E-10,2.5245E-10,2.5307E-10,2.5392E-10,2.5466E-10,2.5575E-10,2.5747E-10,2.6114E-10,2.6836E-10,2.7051E-10,2.6836E-10,2.5378E-10,2.4414E-10,2.3186E-10,2.1428E-10,1.9860E-10,1.8256E-10,1.6221E-10,1.4876E-10,1.4142E-10,1.3317E-10,1.1689E-10,1.0011E-10,8.7193E-11,7.9313E-11,7.4571E-11,6.9720E-11,5.1645E-11,2.9515E-11,1.7369E-11,1.0350E-11,7.8364E-12,4.6182E-12,1.6456E-12,3.8900E-13,8.7551E-14,1.8023E-14,2.3809E-15,2.5981E-16,3.5263E-17\n\"ACRO_PRIMARY\",\"ppmV\",7.7055E-11,7.8894E-11,7.9588E-11,7.9992E-11,8.0320E-11,8.0588E-11,8.0786E-11,8.1061E-11,8.1293E-11,8.1638E-11,8.2166E-11,8.3334E-11,8.5648E-11,8.6353E-11,8.5708E-11,8.1054E-11,7.8490E-11,7.5032E-11,6.9540E-11,6.4665E-11,5.9293E-11,5.2833E-11,4.8792E-11,4.6659E-11,4.4117E-11,3.9043E-11,3.3641E-11,2.9203E-11,2.6380E-11,2.4718E-11,2.3478E-11,1.7964E-11,1.0200E-11,5.7855E-12,3.2005E-12,2.2150E-12,1.2472E-12,4.3914E-13,1.1129E-13,2.7957E-14,6.0052E-15,8.2158E-16,8.8303E-17,1.1434E-17\n\"TOLUENE\",\"ppmV\",4.0613E-20,4.0370E-20,4.0345E-20,4.0307E-20,4.0116E-20,3.9815E-20,3.9572E-20,3.9462E-20,3.9282E-20,3.9078E-20,3.9080E-20,3.9154E-20,3.9347E-20,3.9521E-20,3.9472E-20,3.9176E-20,3.8542E-20,3.7610E-20,3.6460E-20,3.5073E-20,3.3990E-20,3.3285E-20,3.1041E-20,3.0175E-20,3.0385E-20,3.0854E-20,3.1246E-20,3.1134E-20,3.0530E-20,2.9781E-20,2.8752E-20,2.7842E-20,2.6836E-20,2.5305E-20,2.2734E-20,1.8803E-20,1.3727E-20,7.1274E-21,2.3971E-21,2.9333E-22,3.2142E-23,8.7278E-24,2.7838E-24,1.3401E-24\n\"ASO4J\",\"ug m-3\",1.1382E+00,1.1327E+00,1.1287E+00,1.1242E+00,1.1190E+00,1.1120E+00,1.1033E+00,1.0912E+00,1.0782E+00,1.0585E+00,1.0330E+00,1.0041E+00,9.7205E-01,9.2947E-01,8.8373E-01,8.3808E-01,8.0560E-01,7.7749E-01,7.4420E-01,7.0397E-01,6.6340E-01,6.1484E-01,5.5662E-01,5.1088E-01,4.7249E-01,4.3772E-01,4.0770E-01,3.7737E-01,3.5330E-01,3.3039E-01,3.0285E-01,2.6988E-01,2.3432E-01,2.0173E-01,1.7256E-01,1.4670E-01,1.2626E-01,1.0900E-01,9.3371E-02,7.8086E-02,6.4168E-02,5.3016E-02,4.1057E-02,2.9179E-02\n\"ASO4I\",\"ug m-3\",1.1517E-02,1.1546E-02,1.1537E-02,1.1511E-02,1.1471E-02,1.1411E-02,1.1304E-02,1.1287E-02,1.1250E-02,1.1219E-02,1.1246E-02,1.1141E-02,1.1055E-02,1.0888E-02,1.0998E-02,1.1584E-02,1.2960E-02,1.4296E-02,1.4982E-02,1.4922E-02,1.4432E-02,1.3386E-02,1.2380E-02,1.1334E-02,1.0241E-02,9.4226E-03,8.8491E-03,8.1943E-03,7.6738E-03,7.0716E-03,6.2827E-03,5.3855E-03,4.4888E-03,3.7348E-03,2.9597E-03,2.1297E-03,1.3619E-03,7.9038E-04,4.5414E-04,2.5651E-04,1.4850E-04,7.7908E-05,3.9329E-05,2.4222E-05\n\"ANH4J\",\"ug 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m-3\",2.3270E-05,2.4780E-05,2.5728E-05,2.6691E-05,2.7785E-05,2.9669E-05,3.2767E-05,3.8210E-05,4.3564E-05,4.8181E-05,5.3590E-05,5.9837E-05,7.1573E-05,9.0513E-05,1.2137E-04,1.5184E-04,2.5045E-04,3.8795E-04,3.9427E-04,3.7041E-04,2.9461E-04,1.8486E-04,1.8919E-04,2.0966E-04,2.3193E-04,2.6360E-04,3.2787E-04,4.1609E-04,5.2743E-04,6.5229E-04,8.0898E-04,1.0044E-03,1.1860E-03,1.3444E-03,1.4788E-03,1.5988E-03,1.7059E-03,1.7869E-03,1.7800E-03,1.5784E-03,1.2571E-03,9.4570E-04,6.2623E-04,3.5305E-04\n\"NH3\",\"ppmV\",6.3263E-05,6.6580E-05,6.8574E-05,7.0703E-05,7.3038E-05,7.6230E-05,8.0828E-05,8.7571E-05,9.4572E-05,1.0086E-04,1.0390E-04,1.1232E-04,1.2387E-04,1.3873E-04,1.5841E-04,1.7360E-04,1.7863E-04,1.8452E-04,1.8097E-04,1.8334E-04,1.7686E-04,1.7454E-04,1.7335E-04,1.7198E-04,1.7212E-04,1.7178E-04,1.6850E-04,1.6090E-04,1.5128E-04,1.5115E-04,1.5462E-04,1.5421E-04,1.4792E-04,1.2817E-04,1.0395E-04,8.0931E-05,5.9276E-05,3.5743E-05,1.6509E-05,4.2976E-06,1.8763E-06,3.6471E-06,3.0765E-06,2.4276E-06\n\"SVISO1\",\"ppmV\",1.2016E-06,1.2560E-06,1.2819E-06,1.3031E-06,1.3281E-06,1.3583E-06,1.4027E-06,1.4751E-06,1.5501E-06,1.6444E-06,1.7842E-06,1.9861E-06,2.3630E-06,2.8100E-06,3.2225E-06,3.6073E-06,4.1782E-06,4.6644E-06,4.9148E-06,5.0160E-06,4.9570E-06,4.6989E-06,4.6166E-06,4.6299E-06,4.6166E-06,4.5820E-06,4.6430E-06,4.6546E-06,4.7034E-06,4.6979E-06,4.6088E-06,4.4071E-06,4.0559E-06,3.7230E-06,3.3679E-06,2.8757E-06,2.2839E-06,1.6765E-06,9.9237E-07,3.8356E-07,1.2052E-07,4.1587E-08,1.6035E-08,1.0905E-08\n\"SVISO2\",\"ppmV\",1.2549E-09,1.2985E-09,1.3167E-09,1.3288E-09,1.3386E-09,1.3462E-09,1.3586E-09,1.3723E-09,1.3846E-09,1.4100E-09,1.4551E-09,1.5724E-09,1.8248E-09,2.0124E-09,2.1213E-09,2.1094E-09,2.0198E-09,1.9077E-09,1.8872E-09,1.9506E-09,1.9940E-09,1.9882E-09,1.8858E-09,1.9489E-09,1.9836E-09,2.0837E-09,2.1980E-09,2.2817E-09,2.2476E-09,2.1767E-09,2.1109E-09,1.9697E-09,1.7720E-09,1.5459E-09,1.2636E-09,8.8227E-10,5.0756E-10,2.4008E-10,9.9037E-11,2.7708E-11,4.5496E-12,6.7860E-13,1.0581E-13,2.0166E-14\n\"SVSQT\",\"ppmV\",6.8254E-08,7.1065E-08,7.2346E-08,7.3351E-08,7.4543E-08,7.5872E-08,7.8027E-08,8.1569E-08,8.5277E-08,9.0604E-08,9.8994E-08,1.1162E-07,1.3082E-07,1.5135E-07,1.6978E-07,1.8405E-07,2.0417E-07,2.2090E-07,2.3008E-07,2.2823E-07,2.2136E-07,2.1034E-07,1.9724E-07,1.9489E-07,1.9331E-07,1.9102E-07,1.9310E-07,1.9066E-07,1.8391E-07,1.7371E-07,1.6337E-07,1.5030E-07,1.3288E-07,1.1671E-07,1.0045E-07,7.9075E-08,5.2376E-08,2.7605E-08,1.0541E-08,2.5259E-09,4.2353E-10,6.8631E-11,1.4371E-11,5.7109E-12\n\"LVPCSOG\",\"ppmV\",4.3898E-12,4.2678E-12,4.1860E-12,4.1094E-12,4.0289E-12,3.9434E-12,3.8487E-12,3.7458E-12,3.6286E-12,3.5035E-12,3.3669E-12,3.2223E-12,3.0604E-12,2.9039E-12,2.7549E-12,2.6216E-12,2.5114E-12,2.4102E-12,2.3278E-12,2.2697E-12,2.1758E-12,2.0803E-12,1.9798E-12,1.8483E-12,1.7078E-12,1.5754E-12,1.4650E-12,1.3548E-12,1.2324E-12,1.1227E-12,1.0307E-12,9.8832E-13,1.0302E-12,1.1657E-12,1.4332E-12,1.8659E-12,2.4589E-12,3.1130E-12,3.7597E-12,4.4119E-12,5.1149E-12,6.1600E-12,8.3718E-12,1.3062E-11\n\"SVTRP1\",\"ppmV\",3.5981E-07,3.7339E-07,3.7909E-07,3.8332E-07,3.8817E-07,3.9417E-07,4.0327E-07,4.1913E-07,4.3526E-07,4.5299E-07,4.7751E-07,5.1643E-07,5.9371E-07,6.8351E-07,7.6208E-07,8.2222E-07,9.1629E-07,1.0005E-06,1.0590E-06,1.0561E-06,9.6548E-07,8.5523E-07,7.6717E-07,7.1014E-07,6.5519E-07,5.9582E-07,5.4112E-07,4.7342E-07,4.0027E-07,3.2292E-07,2.4581E-07,1.7347E-07,1.1245E-07,6.9264E-08,4.0671E-08,2.3949E-08,1.5046E-08,1.0640E-08,8.1057E-09,6.3616E-09,4.9421E-09,4.2649E-09,4.6865E-09,7.4640E-09\n\"SVTRP2\",\"ppmV\",4.8227E-07,5.0297E-07,5.1222E-07,5.1948E-07,5.2782E-07,5.3843E-07,5.5437E-07,5.8130E-07,6.0940E-07,6.4042E-07,6.8234E-07,7.4601E-07,8.7030E-07,1.0218E-06,1.1708E-06,1.2891E-06,1.5222E-06,1.7583E-06,1.8623E-06,1.8643E-06,1.7015E-06,1.4399E-06,1.3353E-06,1.2917E-06,1.2562E-06,1.2263E-06,1.2227E-06,1.2004E-06,1.1681E-06,1.1188E-06,1.0537E-06,9.5839E-07,8.3844E-07,7.2962E-07,6.2509E-07,5.2627E-07,4.4195E-07,3.8410E-07,3.4509E-07,3.1134E-07,2.7608E-07,2.6315E-07,2.8366E-07,3.7405E-07\n" }, { "path": "PREP/bcon/src/profile/avprofile_saprc07tic_ae7i_aq_derived_from_cb6r3m_ae7_kmtbr_hemi2016_v53beta2_m3dry_col051_row068.csv", "content": "#\n#\n# The vertical profiles in this file were derived from a simulation with the\n# hemispheric version of CMAQv5.3 beta2 for the year 2016 and represent the annual\n# average values at the model grid cell closest to lat 37N, lon -157W. As such,\n# they are reflective of conditions in a remote marine environment.\n# The model simulations were performed with the CB6R3M_AE7_KMTBR chemical mechanism and\n# the annual average model outputs were mapped to the SAPRC07TIC_AE7I_AQ chemical mechanism\n# Model version: CMAQv5.3 beta2 (February 2018), including full halogen and DMS chemistry\n# Grid spacing: 108 x 108 km on a polar stereographic grid covering the northern hemisphere\n# Vertical layers: 44\n# Meteorological fields: WRF3.8\n# Chemical mechanism: CB6R3M_AE7_KMTBR (mapped to SAPRC07TIC_AE7I_AQ)\n# Dry Deposition: M3DRY\n# Top level pressure: 50 hPa\n# The vertical sigma levels used in the simulations were 1.0, 0.9975, 0.9946, 0.9913, 0.9875, 0.9831, 0.9781, 0.9723, 0.9657, 0.958, 0.9492, 0.9391, 0.9275, 0.9141, 0.8987, 0.881, 0.8607, 0.8373, 0.8104, 0.7795, 0.7439, 0.7066, 0.6693, 0.632, 0.5946, 0.5573, 0.52, 0.4827, 0.4454, 0.4081, 0.3708, 0.3352, 0.3013, 0.269, 0.2383, 0.2089, 0.181, 0.1543, 0.1289, 0.1047, 0.0816, 0.0596, 0.0386, 0.0186, 0.\n# The hourly meteorological and air quality fields used to derive these profiles\n# are archived at\n# /asm/ROMO/met/MCIP/WRFv3.8_108NHEMI2_2016_44aL/v4.3\n# /asm/gsarwar/hemisphere/cmaqv53_beta_official/halogen/RUN_C\nVNAME,UNITS,LAYER01,LAYER02,LAYER03,LAYER04,LAYER05,LAYER06,LAYER07,LAYER08,LAYER09,LAYER10,LAYER11,LAYER12,LAYER13,LAYER14,LAYER15,LAYER16,LAYER17,LAYER18,LAYER19,LAYER20,LAYER21,LAYER22,LAYER23,LAYER24,LAYER25,LAYER26,LAYER27,LAYER28,LAYER29,LAYER30,LAYER31,LAYER32,LAYER33,LAYER34,LAYER35,LAYER36,LAYER37,LAYER38,LAYER39,LAYER40,LAYER41,LAYER42,LAYER43,LAYER44\n\"PRES\",\"Pa\",1.0181E+05,1.0155E+05,1.0124E+05,1.0090E+05,1.0050E+05,1.0004E+05,9.9512E+04,9.8907E+04,9.8209E+04,9.7404E+04,9.6482E+04,9.5424E+04,9.4205E+04,9.2801E+04,9.1188E+04,8.9338E+04,8.7211E+04,8.4764E+04,8.1955E+04,7.8726E+04,7.5189E+04,7.1571E+04,6.7955E+04,6.4335E+04,6.0716E+04,5.7103E+04,5.3491E+04,4.9880E+04,4.6270E+04,4.2660E+04,3.9134E+04,3.5772E+04,3.2571E+04,2.9525E+04,2.6619E+04,2.3849E+04,2.1210E+04,1.8691E+04,1.6294E+04,1.4007E+04,1.1827E+04,9.7480E+03,7.7657E+03,5.8994E+03\n\"ZH\",\"m\",1.0185E+01,3.2201E+01,5.7525E+01,8.6591E+01,1.2025E+02,1.5896E+02,2.0359E+02,2.5506E+02,3.1470E+02,3.8391E+02,4.6373E+02,5.5608E+02,6.6344E+02,7.8847E+02,9.3399E+02,1.1036E+03,1.3023E+03,1.5362E+03,1.8123E+03,2.1402E+03,2.5137E+03,2.9121E+03,3.3279E+03,3.7633E+03,4.2196E+03,4.6982E+03,5.2024E+03,5.7352E+03,6.3003E+03,6.9023E+03,7.5321E+03,8.1761E+03,8.8360E+03,9.5136E+03,1.0214E+04,1.0942E+04,1.1705E+04,1.2513E+04,1.3380E+04,1.4326E+04,1.5376E+04,1.6570E+04,1.7970E+04,1.9672E+04\n\"ZF\",\"m\",2.0375E+01,4.4047E+01,7.1039E+01,1.0220E+02,1.3838E+02,1.7964E+02,2.2768E+02,2.8261E+02,3.4703E+02,4.2110E+02,5.0673E+02,6.0590E+02,7.2159E+02,8.5611E+02,1.0129E+03,1.1957E+03,1.4108E+03,1.6641E+03,1.9638E+03,2.3214E+03,2.7111E+03,3.1176E+03,3.5423E+03,3.9880E+03,4.4542E+03,4.9446E+03,5.4620E+03,6.0097E+03,6.5917E+03,7.2132E+03,7.8487E+03,8.4986E+03,9.1656E+03,9.8509E+03,1.0564E+04,1.1305E+04,1.2087E+04,1.2919E+04,1.3819E+04,1.4810E+04,1.5921E+04,1.7203E+04,1.8737E+04,2.0629E+04\n\"NO2\",\"ppmV\",6.6416E-05,6.6871E-05,6.6995E-05,6.6251E-05,6.4791E-05,6.2946E-05,6.0125E-05,5.6347E-05,5.2051E-05,4.6051E-05,4.0643E-05,3.4908E-05,2.8844E-05,2.3595E-05,1.9684E-05,1.6852E-05,1.5218E-05,1.4624E-05,1.4303E-05,1.4142E-05,1.4275E-05,1.4340E-05,1.4250E-05,1.4080E-05,1.3700E-05,1.3191E-05,1.2747E-05,1.2518E-05,1.2453E-05,1.2474E-05,1.2500E-05,1.2349E-05,1.2799E-05,1.4980E-05,1.9595E-05,2.7242E-05,3.8982E-05,5.4613E-05,6.8501E-05,7.6555E-05,7.5536E-05,6.2896E-05,4.7995E-05,4.3004E-05\n\"NO\",\"ppmV\",7.2125E-06,7.3708E-06,7.4578E-06,7.4445E-06,7.3594E-06,7.2401E-06,7.0303E-06,6.6917E-06,6.3132E-06,5.6629E-06,5.0430E-06,4.2686E-06,3.4368E-06,2.7868E-06,2.3603E-06,2.1141E-06,2.1080E-06,2.2536E-06,2.4169E-06,2.6511E-06,2.8859E-06,3.1132E-06,3.2768E-06,3.4103E-06,3.4596E-06,3.4505E-06,3.4404E-06,3.4880E-06,3.5884E-06,3.7997E-06,4.2118E-06,4.7966E-06,5.6269E-06,7.1106E-06,9.8309E-06,1.4418E-05,2.1712E-05,3.2106E-05,4.2984E-05,5.0088E-05,4.8329E-05,3.3660E-05,2.1467E-05,1.6828E-05\n\"O3P\",\"ppmV\",3.8565E-11,3.8774E-11,3.9017E-11,3.9304E-11,3.9635E-11,4.0010E-11,4.0440E-11,4.0903E-11,4.1518E-11,4.2195E-11,4.2961E-11,4.3842E-11,4.4956E-11,4.6991E-11,5.0488E-11,5.5970E-11,6.3681E-11,7.4011E-11,8.6481E-11,1.0145E-10,1.1685E-10,1.3198E-10,1.4992E-10,1.7002E-10,1.9215E-10,2.1593E-10,2.4530E-10,2.7879E-10,3.1688E-10,3.6406E-10,4.2162E-10,4.8799E-10,5.6794E-10,6.8038E-10,8.5598E-10,1.1456E-09,1.6585E-09,2.5890E-09,4.2102E-09,6.8171E-09,1.2136E-08,3.5512E-08,1.0624E-07,3.1938E-07\n\"O3\",\"ppmV\",2.9175E-02,2.9212E-02,2.9237E-02,2.9261E-02,2.9282E-02,2.9294E-02,2.9285E-02,2.9268E-02,2.9236E-02,2.9183E-02,2.9094E-02,2.8951E-02,2.8814E-02,2.8780E-02,2.8908E-02,2.9365E-02,3.0223E-02,3.1446E-02,3.2937E-02,3.4518E-02,3.5985E-02,3.7176E-02,3.8610E-02,4.0036E-02,4.1363E-02,4.2594E-02,4.4067E-02,4.5605E-02,4.7165E-02,4.9155E-02,5.1509E-02,5.3923E-02,5.6682E-02,6.0912E-02,6.7728E-02,7.8214E-02,9.5268E-02,1.2097E-01,1.5442E-01,1.8961E-01,2.4869E-01,5.0406E-01,9.6055E-01,1.5983E+00\n\"NO3\",\"ppmV\",6.3239E-07,6.3023E-07,6.3151E-07,6.4556E-07,6.5635E-07,6.6224E-07,6.6575E-07,6.6570E-07,6.5354E-07,6.3346E-07,5.9811E-07,5.4948E-07,5.0238E-07,4.5992E-07,4.4629E-07,5.0144E-07,6.6674E-07,8.9469E-07,1.0479E-06,1.1333E-06,1.1645E-06,1.1331E-06,1.0786E-06,9.5645E-07,7.9273E-07,6.1975E-07,4.7106E-07,3.5094E-07,2.4854E-07,1.6729E-07,1.1407E-07,8.2662E-08,6.7138E-08,6.1447E-08,6.1893E-08,6.7501E-08,7.9188E-08,9.4982E-08,1.1225E-07,1.2714E-07,1.5253E-07,2.7354E-07,4.6465E-07,7.2979E-07\n\"O1D\",\"ppmV\",1.6680E-16,1.6824E-16,1.6969E-16,1.7139E-16,1.7336E-16,1.7563E-16,1.7820E-16,1.8114E-16,1.8492E-16,1.8893E-16,1.9354E-16,1.9842E-16,2.0425E-16,2.1446E-16,2.3020E-16,2.5385E-16,2.8813E-16,3.3418E-16,3.8904E-16,4.5539E-16,5.2169E-16,5.8509E-16,6.5957E-16,7.4102E-16,8.2638E-16,9.1601E-16,1.0270E-15,1.1484E-15,1.2803E-15,1.4361E-15,1.6180E-15,1.8138E-15,2.0264E-15,2.3043E-15,2.7207E-15,3.3824E-15,4.5020E-15,6.4212E-15,9.5835E-15,1.4107E-14,2.2197E-14,5.6672E-14,1.4333E-13,3.5583E-13\n\"OH\",\"ppmV\",6.0257E-08,6.0452E-08,6.0890E-08,6.1268E-08,6.1599E-08,6.1899E-08,6.2101E-08,6.1966E-08,6.1872E-08,6.0840E-08,5.9571E-08,5.7520E-08,5.4761E-08,5.3234E-08,5.3107E-08,5.3649E-08,5.4789E-08,5.6292E-08,5.7351E-08,5.8706E-08,6.0053E-08,6.1655E-08,6.4520E-08,6.7518E-08,7.0455E-08,7.2308E-08,7.3371E-08,7.3707E-08,7.3616E-08,7.4039E-08,7.5315E-08,7.6337E-08,7.7136E-08,8.0977E-08,9.0723E-08,1.0808E-07,1.3565E-07,1.6986E-07,2.0080E-07,2.1621E-07,2.1041E-07,1.7666E-07,2.0241E-07,3.2347E-07\n\"HO2\",\"ppmV\",4.5776E-06,4.6298E-06,4.6529E-06,4.6612E-06,4.6692E-06,4.6783E-06,4.6847E-06,4.6863E-06,4.6817E-06,4.6378E-06,4.6082E-06,4.5504E-06,4.4590E-06,4.3915E-06,4.3729E-06,4.4360E-06,4.5784E-06,4.7666E-06,4.9391E-06,5.1092E-06,5.2609E-06,5.3674E-06,5.4993E-06,5.6002E-06,5.6491E-06,5.6427E-06,5.6104E-06,5.5505E-06,5.4659E-06,5.3639E-06,5.2341E-06,5.0251E-06,4.7401E-06,4.4441E-06,4.1458E-06,3.7731E-06,3.2729E-06,2.6874E-06,2.1534E-06,1.7736E-06,1.6658E-06,1.8948E-06,2.7505E-06,4.7410E-06\n\"HO2H\",\"ppmV\",5.1128E-04,5.3838E-04,5.5228E-04,5.6388E-04,5.7763E-04,5.9353E-04,6.1284E-04,6.3553E-04,6.5406E-04,6.7245E-04,6.9578E-04,7.2476E-04,7.6345E-04,7.9405E-04,8.1356E-04,8.3012E-04,8.4774E-04,8.5946E-04,8.5617E-04,8.4635E-04,8.3386E-04,8.1462E-04,8.0074E-04,7.7892E-04,7.4954E-04,7.1234E-04,6.7188E-04,6.2844E-04,5.8534E-04,5.3936E-04,4.9701E-04,4.5885E-04,4.1729E-04,3.7210E-04,3.2271E-04,2.6247E-04,1.9002E-04,1.1687E-04,6.1086E-05,3.2219E-05,2.3866E-05,2.5105E-05,3.9866E-05,7.2061E-05\n\"N2O5\",\"ppmV\",1.4375E-07,1.4709E-07,1.5167E-07,1.5903E-07,1.6283E-07,1.6500E-07,1.6458E-07,1.6057E-07,1.5183E-07,1.3934E-07,1.2930E-07,1.1708E-07,1.0381E-07,8.9736E-08,7.8628E-08,8.0162E-08,9.9393E-08,1.2383E-07,1.4304E-07,1.5891E-07,1.7690E-07,1.9811E-07,2.2334E-07,2.5308E-07,2.8381E-07,3.1261E-07,3.4115E-07,3.9116E-07,4.5317E-07,5.0107E-07,5.2425E-07,5.2036E-07,5.5098E-07,6.8349E-07,9.4135E-07,1.3491E-06,1.9204E-06,2.5556E-06,2.9779E-06,3.1016E-06,3.1708E-06,3.5271E-06,3.4359E-06,3.3245E-06\n\"HNO3\",\"ppmV\",1.1265E-05,1.1896E-05,1.2122E-05,1.2228E-05,1.2284E-05,1.2123E-05,1.1850E-05,1.1513E-05,1.0957E-05,1.0199E-05,9.9439E-06,9.8369E-06,9.7639E-06,1.0503E-05,1.2482E-05,1.7998E-05,2.9995E-05,4.7323E-05,6.3910E-05,7.7114E-05,8.3643E-05,8.4341E-05,8.4299E-05,8.2708E-05,7.8905E-05,7.2852E-05,6.8405E-05,6.4564E-05,6.0652E-05,5.5594E-05,5.5257E-05,5.5122E-05,5.4123E-05,5.4742E-05,5.9479E-05,7.0813E-05,8.7695E-05,1.1294E-04,1.3073E-04,1.4017E-04,1.4997E-04,1.6858E-04,1.9492E-04,1.9109E-04\n\"HONO\",\"ppmV\",3.3428E-07,3.4958E-07,3.5813E-07,3.6052E-07,3.5749E-07,3.5063E-07,3.3733E-07,3.1688E-07,2.9525E-07,2.6246E-07,2.2851E-07,1.8710E-07,1.4384E-07,1.1027E-07,8.7757E-08,7.3392E-08,6.7131E-08,6.6303E-08,6.6287E-08,6.7646E-08,6.9351E-08,7.0788E-08,7.1929E-08,7.2739E-08,7.1536E-08,6.8091E-08,6.3856E-08,6.0481E-08,5.8345E-08,5.8221E-08,6.1497E-08,6.7660E-08,7.9080E-08,1.0356E-07,1.5148E-07,2.3827E-07,3.8660E-07,5.9639E-07,7.6695E-07,7.8086E-07,5.6439E-07,2.1447E-07,8.6833E-08,5.8682E-08\n\"HNO4\",\"ppmV\",3.5945E-07,3.7887E-07,3.9310E-07,4.0144E-07,4.0714E-07,4.1237E-07,4.1309E-07,4.0806E-07,4.0122E-07,3.8022E-07,3.6528E-07,3.4873E-07,3.3335E-07,3.1873E-07,3.0628E-07,2.9419E-07,2.9272E-07,3.0072E-07,3.1366E-07,3.5039E-07,4.1949E-07,5.2770E-07,6.9530E-07,9.5198E-07,1.3183E-06,1.8456E-06,2.6647E-06,3.9817E-06,6.0712E-06,9.4194E-06,1.4663E-05,2.1378E-05,2.8056E-05,3.3560E-05,3.7713E-05,3.9710E-05,3.8768E-05,3.4780E-05,2.8660E-05,2.2662E-05,1.9871E-05,2.1243E-05,2.2100E-05,2.1869E-05\n\"SO2\",\"ppmV\",5.4355E-05,5.7123E-05,5.8149E-05,5.8463E-05,5.8357E-05,5.8007E-05,5.6671E-05,5.5215E-05,5.3257E-05,5.0326E-05,4.6945E-05,4.2034E-05,3.5603E-05,2.6485E-05,1.8360E-05,1.5769E-05,1.8670E-05,2.1209E-05,2.4521E-05,2.7210E-05,2.7597E-05,2.6593E-05,2.6638E-05,2.5707E-05,2.4190E-05,2.2350E-05,2.0865E-05,2.0084E-05,2.0071E-05,2.0049E-05,1.8998E-05,1.7031E-05,1.4960E-05,1.3414E-05,1.1827E-05,1.0114E-05,8.7051E-06,7.1918E-06,5.6031E-06,4.0243E-06,2.7778E-06,1.8096E-06,1.1213E-06,8.0725E-07\n\"SULF\",\"ppmV\",1.6687E-07,1.7535E-07,1.7721E-07,1.7677E-07,1.7418E-07,1.7016E-07,1.6121E-07,1.4958E-07,1.3712E-07,1.2094E-07,1.0714E-07,8.9856E-08,7.2616E-08,5.4124E-08,3.7047E-08,3.4783E-08,4.5198E-08,5.9581E-08,6.8019E-08,7.5408E-08,7.8893E-08,7.6362E-08,7.7664E-08,7.7982E-08,7.9026E-08,7.8998E-08,7.7740E-08,7.6924E-08,7.9078E-08,8.1761E-08,8.1616E-08,7.8394E-08,7.6351E-08,7.6352E-08,8.1190E-08,9.1297E-08,1.0113E-07,1.0351E-07,9.5228E-08,7.9420E-08,6.2146E-08,4.3982E-08,3.5559E-08,4.4326E-08\n\"MECO3\",\"ppmV\",1.0728E-07,1.0575E-07,1.0350E-07,1.0097E-07,9.8214E-08,9.5239E-08,9.2255E-08,8.9461E-08,8.6931E-08,8.5824E-08,8.4531E-08,8.3610E-08,8.3536E-08,8.5455E-08,8.9451E-08,9.5305E-08,1.0193E-07,1.1141E-07,1.1903E-07,1.2288E-07,1.2148E-07,1.1758E-07,1.1583E-07,1.1178E-07,1.0572E-07,9.9327E-08,9.3837E-08,8.9390E-08,8.7095E-08,8.6498E-08,8.7375E-08,8.8460E-08,8.8587E-08,8.6356E-08,8.0811E-08,7.0465E-08,5.5109E-08,3.8218E-08,2.3127E-08,1.3485E-08,9.4856E-09,8.3730E-09,8.3286E-09,8.9411E-09\n\"MEO2\",\"ppmV\",8.6952E-06,7.4168E-06,7.1223E-06,7.2182E-06,7.4120E-06,7.5927E-06,7.8101E-06,8.1119E-06,8.4784E-06,9.2304E-06,9.2710E-06,9.2215E-06,9.1680E-06,9.2017E-06,9.3323E-06,9.3486E-06,9.0891E-06,8.6307E-06,8.1396E-06,7.6123E-06,7.1224E-06,6.6961E-06,6.3533E-06,6.0576E-06,5.8203E-06,5.5769E-06,5.3195E-06,4.9929E-06,4.6170E-06,4.1958E-06,3.7361E-06,3.2642E-06,2.7926E-06,2.3178E-06,1.8439E-06,1.3884E-06,9.7968E-07,6.6294E-07,4.8645E-07,4.0785E-07,4.1134E-07,5.6500E-07,8.9815E-07,1.4845E-06\n\"PAN\",\"ppmV\",3.8243E-05,3.8806E-05,3.9058E-05,3.9241E-05,3.9404E-05,3.9558E-05,3.9699E-05,3.9825E-05,3.9932E-05,4.0051E-05,4.0231E-05,4.0538E-05,4.1056E-05,4.2247E-05,4.4205E-05,4.7114E-05,5.0964E-05,5.5650E-05,6.1536E-05,6.7639E-05,7.4276E-05,8.1608E-05,9.2102E-05,1.0601E-04,1.2269E-04,1.4159E-04,1.6071E-04,1.7612E-04,1.8694E-04,1.9341E-04,1.9739E-04,1.9928E-04,1.9854E-04,1.9740E-04,1.9772E-04,1.9429E-04,1.8459E-04,1.6792E-04,1.4105E-04,1.0642E-04,8.3079E-05,6.9653E-05,5.7747E-05,5.0248E-05\n\"CCOOOH\",\"ppmV\",4.3532E-06,4.6037E-06,4.7220E-06,4.8154E-06,4.9123E-06,5.0174E-06,5.1454E-06,5.3221E-06,5.5240E-06,5.7742E-06,6.0594E-06,6.4017E-06,6.8504E-06,7.4089E-06,8.1207E-06,8.9700E-06,9.9642E-06,1.1011E-05,1.1947E-05,1.2607E-05,1.3006E-05,1.3244E-05,1.3781E-05,1.4323E-05,1.4790E-05,1.5375E-05,1.6151E-05,1.6960E-05,1.7750E-05,1.8299E-05,1.8608E-05,1.8730E-05,1.8571E-05,1.7914E-05,1.6436E-05,1.3372E-05,8.9318E-06,4.5201E-06,1.6731E-06,6.6461E-07,4.6454E-07,5.1067E-07,6.0664E-07,6.6332E-07\n\"CCOOH\",\"ppmV\",1.3605E-05,1.4369E-05,1.4778E-05,1.5136E-05,1.5550E-05,1.6066E-05,1.6756E-05,1.7737E-05,1.8752E-05,1.9958E-05,2.1399E-05,2.3199E-05,2.5746E-05,2.8780E-05,3.2251E-05,3.5546E-05,3.9636E-05,4.3827E-05,4.7092E-05,4.9042E-05,4.9284E-05,4.8403E-05,4.9417E-05,5.0776E-05,5.1628E-05,5.2657E-05,5.4240E-05,5.5289E-05,5.5611E-05,5.4577E-05,5.3349E-05,5.2136E-05,5.0333E-05,4.7461E-05,4.3246E-05,3.6361E-05,2.6518E-05,1.5820E-05,7.2913E-06,2.8562E-06,1.6716E-06,1.4615E-06,1.5007E-06,1.5252E-06\n\"RCO3\",\"ppmV\",2.3659E-08,2.3085E-08,2.2546E-08,2.2011E-08,2.1440E-08,2.0811E-08,2.0167E-08,1.9548E-08,1.8964E-08,1.8664E-08,1.8298E-08,1.7982E-08,1.7812E-08,1.7870E-08,1.8226E-08,1.8743E-08,1.9467E-08,2.0470E-08,2.1019E-08,2.0904E-08,2.0019E-08,1.8776E-08,1.8012E-08,1.7468E-08,1.6979E-08,1.6888E-08,1.7354E-08,1.8174E-08,1.9212E-08,2.0124E-08,2.1025E-08,2.1745E-08,2.2215E-08,2.2015E-08,2.0764E-08,1.8119E-08,1.4111E-08,9.8102E-09,6.0356E-09,3.5718E-09,2.5525E-09,2.3566E-09,2.1842E-09,2.0781E-09\n\"CCHO\",\"ppmV\",1.3728E-05,1.4250E-05,1.4492E-05,1.4677E-05,1.4853E-05,1.5019E-05,1.5207E-05,1.5424E-05,1.5655E-05,1.5937E-05,1.6236E-05,1.6556E-05,1.6945E-05,1.7426E-05,1.8005E-05,1.8672E-05,1.9464E-05,2.0296E-05,2.0924E-05,2.1141E-05,2.0945E-05,2.0672E-05,2.0758E-05,2.0852E-05,2.0846E-05,2.0985E-05,2.1247E-05,2.1557E-05,2.1832E-05,2.1872E-05,2.1672E-05,2.1341E-05,2.0864E-05,2.0185E-05,1.9041E-05,1.6786E-05,1.3394E-05,9.7315E-06,6.5760E-06,4.1843E-06,2.9366E-06,2.0830E-06,1.2498E-06,8.2197E-07\n\"PAN2\",\"ppmV\",7.8161E-06,7.8926E-06,7.9267E-06,7.9514E-06,7.9714E-06,7.9893E-06,8.0037E-06,8.0170E-06,8.0248E-06,8.0296E-06,8.0331E-06,8.0443E-06,8.0662E-06,8.1595E-06,8.3115E-06,8.5284E-06,8.8270E-06,9.1799E-06,9.5920E-06,9.9217E-06,1.0204E-05,1.0456E-05,1.0834E-05,1.1200E-05,1.1496E-05,1.1804E-05,1.2089E-05,1.2330E-05,1.2486E-05,1.2526E-05,1.2455E-05,1.2331E-05,1.2079E-05,1.1796E-05,1.1567E-05,1.0610E-05,8.6273E-06,5.9131E-06,3.5697E-06,1.9382E-06,1.3862E-06,1.2815E-06,1.0554E-06,8.0686E-07\n\"HCHO\",\"ppmV\",2.5795E-04,2.7193E-04,2.7877E-04,2.8402E-04,2.8898E-04,2.9310E-04,2.9677E-04,2.9930E-04,2.9971E-04,2.9839E-04,2.9638E-04,2.9094E-04,2.8277E-04,2.7236E-04,2.6224E-04,2.5327E-04,2.4583E-04,2.3869E-04,2.2838E-04,2.1720E-04,2.0510E-04,1.9329E-04,1.8246E-04,1.7096E-04,1.5938E-04,1.4647E-04,1.3313E-04,1.1970E-04,1.0676E-04,9.4700E-05,8.4285E-05,7.5296E-05,6.7521E-05,6.1294E-05,5.6442E-05,5.1736E-05,4.6112E-05,3.9140E-05,3.1669E-05,2.4434E-05,1.8438E-05,1.2607E-05,1.0869E-05,1.2368E-05\n\"COOH\",\"ppmV\",2.1265E-04,2.2404E-04,2.2981E-04,2.3473E-04,2.4031E-04,2.4652E-04,2.5496E-04,2.6659E-04,2.7956E-04,2.9738E-04,3.1988E-04,3.5201E-04,3.9474E-04,4.3913E-04,4.7629E-04,5.0333E-04,5.1665E-04,5.1440E-04,5.0434E-04,4.8549E-04,4.6116E-04,4.3809E-04,4.1876E-04,3.9998E-04,3.8369E-04,3.6829E-04,3.5349E-04,3.3531E-04,3.1436E-04,2.8869E-04,2.5990E-04,2.3151E-04,2.0323E-04,1.7232E-04,1.3846E-04,1.0012E-04,6.0030E-05,2.6926E-05,1.0243E-05,5.1951E-06,4.3639E-06,5.6536E-06,1.0213E-05,1.8874E-05\n\"MEOH\",\"ppmV\",4.3044E-05,4.5316E-05,4.6473E-05,4.7484E-05,4.8688E-05,5.0181E-05,5.2232E-05,5.4935E-05,5.7849E-05,6.1863E-05,6.7482E-05,7.5785E-05,8.7228E-05,9.9928E-05,1.1194E-04,1.2064E-04,1.2606E-04,1.2818E-04,1.2763E-04,1.2412E-04,1.1854E-04,1.1284E-04,1.1063E-04,1.1062E-04,1.1165E-04,1.1429E-04,1.1819E-04,1.2073E-04,1.2163E-04,1.2109E-04,1.2019E-04,1.2172E-04,1.2370E-04,1.2435E-04,1.2369E-04,1.1429E-04,9.3141E-05,6.5659E-05,4.0061E-05,2.0939E-05,1.2361E-05,8.3582E-06,6.3053E-06,5.2752E-06\n\"ROOH\",\"ppmV\",3.3632E-05,3.5771E-05,3.6782E-05,3.7583E-05,3.8381E-05,3.9177E-05,4.0063E-05,4.1176E-05,4.2431E-05,4.3944E-05,4.5684E-05,4.7697E-05,5.0173E-05,5.3095E-05,5.6338E-05,5.9061E-05,6.1315E-05,6.2998E-05,6.3443E-05,6.2780E-05,6.0895E-05,5.8909E-05,5.9074E-05,5.9659E-05,6.0377E-05,6.1569E-05,6.2910E-05,6.3691E-05,6.3653E-05,6.2489E-05,6.0339E-05,5.7425E-05,5.3731E-05,4.8765E-05,4.2221E-05,3.2513E-05,2.0341E-05,9.3402E-06,3.0839E-06,9.9336E-07,6.1620E-07,6.5461E-07,7.8324E-07,8.7889E-07\n\"RNO3\",\"ppmV\",2.3676E-05,2.4036E-05,2.4208E-05,2.4344E-05,2.4466E-05,2.4576E-05,2.4672E-05,2.4767E-05,2.4835E-05,2.4896E-05,2.4941E-05,2.4978E-05,2.5001E-05,2.5064E-05,2.5198E-05,2.5449E-05,2.5927E-05,2.6671E-05,2.7363E-05,2.7816E-05,2.8058E-05,2.8237E-05,2.8911E-05,2.9644E-05,3.0076E-05,3.0187E-05,3.0444E-05,3.1182E-05,3.1964E-05,3.2655E-05,3.3497E-05,3.4382E-05,3.5246E-05,3.6589E-05,3.8856E-05,4.1660E-05,4.4362E-05,4.6752E-05,4.6741E-05,4.4856E-05,4.3046E-05,4.2004E-05,4.1511E-05,4.1157E-05\n\"HCOOH\",\"ppmV\",2.4966E-06,2.6518E-06,2.7347E-06,2.8058E-06,2.8843E-06,2.9814E-06,3.1082E-06,3.2898E-06,3.4700E-06,3.6544E-06,3.8641E-06,4.1128E-06,4.4779E-06,4.9307E-06,5.5120E-06,6.1311E-06,7.0820E-06,8.0481E-06,8.9337E-06,9.5902E-06,1.0006E-05,1.0131E-05,1.0618E-05,1.1279E-05,1.1861E-05,1.2517E-05,1.3392E-05,1.4210E-05,1.5011E-05,1.5788E-05,1.6670E-05,1.7636E-05,1.8513E-05,1.9692E-05,2.1685E-05,2.4394E-05,2.7583E-05,3.0310E-05,3.0495E-05,2.7826E-05,2.3997E-05,2.0253E-05,1.7856E-05,1.6978E-05\n\"CO\",\"ppmV\",7.5955E-02,7.5958E-02,7.5961E-02,7.5965E-02,7.5969E-02,7.5988E-02,7.6017E-02,7.6058E-02,7.6102E-02,7.6147E-02,7.6200E-02,7.6266E-02,7.6353E-02,7.6431E-02,7.6525E-02,7.6687E-02,7.6852E-02,7.7101E-02,7.7255E-02,7.7356E-02,7.7436E-02,7.7468E-02,7.7803E-02,7.8197E-02,7.8505E-02,7.8985E-02,7.9548E-02,7.9959E-02,8.0055E-02,7.9829E-02,7.9312E-02,7.8646E-02,7.7667E-02,7.6315E-02,7.4366E-02,7.1075E-02,6.5669E-02,5.8520E-02,5.0335E-02,4.1951E-02,3.6316E-02,3.1798E-02,2.7969E-02,2.6143E-02\n\"RCHO\",\"ppmV\",3.2993E-06,3.4961E-06,3.5816E-06,3.6421E-06,3.6937E-06,3.7373E-06,3.7780E-06,3.8205E-06,3.8638E-06,3.9103E-06,3.9571E-06,3.9946E-06,4.0258E-06,4.0651E-06,4.0938E-06,4.0956E-06,4.0684E-06,4.0258E-06,3.9122E-06,3.7126E-06,3.4436E-06,3.2096E-06,3.0908E-06,2.9745E-06,2.8615E-06,2.7635E-06,2.6466E-06,2.5162E-06,2.3738E-06,2.2062E-06,2.0084E-06,1.8007E-06,1.5834E-06,1.3669E-06,1.1536E-06,9.1078E-07,6.2454E-07,3.5401E-07,1.6197E-07,4.7762E-08,1.5744E-08,8.3471E-09,5.3306E-09,3.0388E-09\n\"HOCCHO\",\"ppmV\",2.1947E-07,2.3231E-07,2.3727E-07,2.4036E-07,2.4289E-07,2.4496E-07,2.4687E-07,2.4890E-07,2.5145E-07,2.5448E-07,2.5788E-07,2.6147E-07,2.6728E-07,2.7541E-07,2.9021E-07,3.1079E-07,3.3973E-07,3.6222E-07,3.7809E-07,3.8340E-07,3.8015E-07,3.7786E-07,3.8321E-07,3.8494E-07,3.9138E-07,4.0096E-07,4.1415E-07,4.4207E-07,4.7788E-07,5.1588E-07,5.4523E-07,5.5663E-07,5.5040E-07,5.3826E-07,5.1920E-07,4.5816E-07,3.4568E-07,1.9973E-07,8.7440E-08,2.0844E-08,3.5412E-09,1.0280E-09,2.4817E-10,5.7738E-11\n\"GLY\",\"ppmV\",2.5537E-07,2.6832E-07,2.7312E-07,2.7567E-07,2.7818E-07,2.7822E-07,2.7667E-07,2.7527E-07,2.7169E-07,2.6570E-07,2.5881E-07,2.5105E-07,2.4226E-07,2.3378E-07,2.2305E-07,2.2601E-07,2.4016E-07,2.5096E-07,2.6625E-07,2.7482E-07,2.7001E-07,2.6222E-07,2.6705E-07,2.6836E-07,2.6581E-07,2.6344E-07,2.6119E-07,2.5676E-07,2.4975E-07,2.3906E-07,2.2757E-07,2.1480E-07,2.0173E-07,1.9014E-07,1.8267E-07,1.7489E-07,1.5826E-07,1.2619E-07,8.1386E-08,3.5810E-08,1.4916E-08,6.2133E-09,3.0519E-09,2.3157E-09\n\"MGLY\",\"ppmV\",6.5773E-08,6.9345E-08,7.0775E-08,7.1633E-08,7.2315E-08,7.2493E-08,7.2139E-08,7.1882E-08,7.1429E-08,7.0383E-08,6.8797E-08,6.6420E-08,6.3719E-08,6.0198E-08,5.6251E-08,5.4195E-08,5.5289E-08,5.5414E-08,5.5552E-08,5.4325E-08,5.1054E-08,4.7860E-08,4.6957E-08,4.4676E-08,4.1922E-08,3.8618E-08,3.4784E-08,3.1015E-08,2.7478E-08,2.3657E-08,2.0046E-08,1.6866E-08,1.4357E-08,1.2528E-08,1.1268E-08,9.9664E-09,7.8799E-09,5.1047E-09,2.5147E-09,7.2007E-10,1.9692E-10,1.2191E-10,7.4357E-11,5.8247E-11\n\"ALK1\",\"ppmV\",4.5334E-04,4.5337E-04,4.5339E-04,4.5340E-04,4.5336E-04,4.5338E-04,4.5335E-04,4.5343E-04,4.5335E-04,4.5298E-04,4.5212E-04,4.5125E-04,4.5044E-04,4.4929E-04,4.4765E-04,4.4637E-04,4.4436E-04,4.4266E-04,4.3946E-04,4.3437E-04,4.2818E-04,4.2223E-04,4.1901E-04,4.1602E-04,4.1290E-04,4.1197E-04,4.1169E-04,4.0892E-04,4.0380E-04,3.9702E-04,3.8862E-04,3.7915E-04,3.6724E-04,3.5368E-04,3.3886E-04,3.1718E-04,2.8553E-04,2.4667E-04,2.0175E-04,1.5201E-04,1.1769E-04,9.8593E-05,8.3365E-05,7.4939E-05\n\"ETOH\",\"ppmV\",4.8736E-07,5.1500E-07,5.2604E-07,5.3333E-07,5.3977E-07,5.4571E-07,5.5212E-07,5.5981E-07,5.6917E-07,5.8084E-07,5.9488E-07,6.1435E-07,6.4601E-07,6.8986E-07,7.5830E-07,8.3772E-07,9.7557E-07,1.1558E-06,1.3056E-06,1.3915E-06,1.4046E-06,1.3780E-06,1.4153E-06,1.4580E-06,1.5025E-06,1.5503E-06,1.6233E-06,1.7221E-06,1.8429E-06,1.9604E-06,2.0679E-06,2.1654E-06,2.2518E-06,2.2951E-06,2.2723E-06,2.0567E-06,1.5895E-06,9.9747E-07,4.8242E-07,1.3382E-07,3.2627E-08,1.3080E-08,6.2428E-09,2.5258E-09\n\"MEK\",\"ppmV\",3.4601E-04,3.5917E-04,3.6581E-04,3.7141E-04,3.7740E-04,3.8415E-04,3.9233E-04,4.0303E-04,4.1387E-04,4.2685E-04,4.4254E-04,4.6221E-04,4.8988E-04,5.2461E-04,5.6601E-04,6.1180E-04,6.6565E-04,7.2121E-04,7.6532E-04,7.9774E-04,8.1469E-04,8.1898E-04,8.3711E-04,8.5548E-04,8.6709E-04,8.8176E-04,9.0017E-04,9.1383E-04,9.2258E-04,9.2300E-04,9.2141E-04,9.1771E-04,9.0921E-04,8.9623E-04,8.7696E-04,8.3148E-04,7.4857E-04,6.2875E-04,4.7065E-04,2.9329E-04,1.8037E-04,1.0206E-04,5.4843E-05,3.7359E-05\n\"ALK3\",\"ppmV\",3.1699E-04,3.1700E-04,3.1696E-04,3.1686E-04,3.1662E-04,3.1630E-04,3.1570E-04,3.1505E-04,3.1417E-04,3.1301E-04,3.1108E-04,3.0878E-04,3.0581E-04,3.0268E-04,2.9842E-04,2.9211E-04,2.8447E-04,2.7781E-04,2.6984E-04,2.5895E-04,2.4739E-04,2.3755E-04,2.3317E-04,2.2859E-04,2.2406E-04,2.2062E-04,2.1587E-04,2.0945E-04,2.0218E-04,1.9353E-04,1.8284E-04,1.7140E-04,1.5827E-04,1.4395E-04,1.2884E-04,1.0733E-04,7.5679E-05,4.2005E-05,1.7650E-05,3.8091E-06,7.6822E-07,4.7984E-07,4.2271E-07,1.1921E-07\n\"ALK4\",\"ppmV\",3.1699E-04,3.1700E-04,3.1696E-04,3.1686E-04,3.1662E-04,3.1630E-04,3.1570E-04,3.1505E-04,3.1417E-04,3.1301E-04,3.1108E-04,3.0878E-04,3.0581E-04,3.0268E-04,2.9842E-04,2.9211E-04,2.8447E-04,2.7781E-04,2.6984E-04,2.5895E-04,2.4739E-04,2.3755E-04,2.3317E-04,2.2859E-04,2.2406E-04,2.2062E-04,2.1587E-04,2.0945E-04,2.0218E-04,1.9353E-04,1.8284E-04,1.7140E-04,1.5827E-04,1.4395E-04,1.2884E-04,1.0733E-04,7.5679E-05,4.2005E-05,1.7650E-05,3.8091E-06,7.6822E-07,4.7984E-07,4.2271E-07,1.1921E-07\n\"ALK5\",\"ppmV\",3.2660E-04,3.2661E-04,3.2657E-04,3.2647E-04,3.2621E-04,3.2589E-04,3.2527E-04,3.2459E-04,3.2369E-04,3.2250E-04,3.2051E-04,3.1814E-04,3.1507E-04,3.1185E-04,3.0747E-04,3.0096E-04,2.9309E-04,2.8623E-04,2.7801E-04,2.6680E-04,2.5488E-04,2.4475E-04,2.4024E-04,2.3551E-04,2.3085E-04,2.2731E-04,2.2241E-04,2.1579E-04,2.0830E-04,1.9939E-04,1.8838E-04,1.7659E-04,1.6307E-04,1.4832E-04,1.3274E-04,1.1058E-04,7.7973E-05,4.3278E-05,1.8185E-05,3.9245E-06,7.9150E-07,4.9438E-07,4.3552E-07,1.2282E-07\n\"ACETONE\",\"ppmV\",5.9216E-05,6.1870E-05,6.3239E-05,6.4407E-05,6.5695E-05,6.7192E-05,6.9070E-05,7.1577E-05,7.4086E-05,7.7074E-05,8.0693E-05,8.5205E-05,9.1684E-05,9.9688E-05,1.0914E-04,1.1944E-04,1.3180E-04,1.4491E-04,1.5562E-04,1.6437E-04,1.7076E-04,1.7483E-04,1.8264E-04,1.9112E-04,1.9822E-04,2.0647E-04,2.1651E-04,2.2494E-04,2.3145E-04,2.3479E-04,2.3728E-04,2.3986E-04,2.4163E-04,2.4209E-04,2.3901E-04,2.2524E-04,1.9697E-04,1.5650E-04,1.0699E-04,5.6294E-05,2.9127E-05,1.3512E-05,5.4206E-06,2.9543E-06\n\"ALK2\",\"ppmV\",5.1761E-05,5.1764E-05,5.1762E-05,5.1756E-05,5.1734E-05,5.1709E-05,5.1653E-05,5.1603E-05,5.1525E-05,5.1411E-05,5.1189E-05,5.0930E-05,5.0606E-05,5.0316E-05,4.9983E-05,4.9562E-05,4.8942E-05,4.8235E-05,4.7404E-05,4.6220E-05,4.5083E-05,4.4101E-05,4.3413E-05,4.2696E-05,4.1952E-05,4.1428E-05,4.0907E-05,4.0149E-05,3.9167E-05,3.7963E-05,3.6557E-05,3.5158E-05,3.3533E-05,3.1786E-05,2.9892E-05,2.6932E-05,2.2339E-05,1.6778E-05,1.1183E-05,6.1300E-06,3.4362E-06,2.1686E-06,1.3609E-06,1.0026E-06\n\"ACETYLENE\",\"ppmV\",6.2570E-05,6.2589E-05,6.2597E-05,6.2597E-05,6.2587E-05,6.2583E-05,6.2564E-05,6.2550E-05,6.2524E-05,6.2470E-05,6.2359E-05,6.2214E-05,6.2001E-05,6.1837E-05,6.1655E-05,6.1470E-05,6.1133E-05,6.0806E-05,6.0334E-05,5.9839E-05,5.9519E-05,5.9482E-05,6.0299E-05,6.1182E-05,6.2029E-05,6.3174E-05,6.4325E-05,6.5117E-05,6.5487E-05,6.5223E-05,6.4265E-05,6.2838E-05,6.0768E-05,5.7983E-05,5.4419E-05,4.8477E-05,3.9092E-05,2.7904E-05,1.7304E-05,8.6931E-06,4.8405E-06,3.0838E-06,1.9205E-06,1.4497E-06\n\"ETHENE\",\"ppmV\",3.1499E-06,3.1508E-06,3.1507E-06,3.1492E-06,3.1453E-06,3.1414E-06,3.1329E-06,3.1243E-06,3.1123E-06,3.0948E-06,3.0688E-06,3.0415E-06,3.0065E-06,2.9794E-06,2.9452E-06,2.8782E-06,2.8076E-06,2.7311E-06,2.6630E-06,2.5544E-06,2.4327E-06,2.3424E-06,2.3043E-06,2.2421E-06,2.1846E-06,2.1350E-06,2.0635E-06,1.9877E-06,1.9278E-06,1.8526E-06,1.7255E-06,1.5894E-06,1.4524E-06,1.3806E-06,1.3642E-06,1.1747E-06,8.1871E-07,3.8334E-07,1.2948E-07,2.7548E-08,6.5739E-09,2.5192E-09,6.7729E-10,1.3926E-10\n\"OLE1\",\"ppmV\",9.6266E-08,9.7047E-08,9.7191E-08,9.5979E-08,9.3711E-08,9.0950E-08,8.6893E-08,8.1452E-08,7.5240E-08,6.6454E-08,5.8769E-08,5.0846E-08,4.2364E-08,3.5126E-08,2.9229E-08,2.3803E-08,1.9281E-08,1.6055E-08,1.3779E-08,1.1999E-08,1.1151E-08,1.0587E-08,1.0169E-08,1.0109E-08,1.0198E-08,1.0169E-08,1.0026E-08,1.0051E-08,1.0170E-08,1.0189E-08,9.5776E-09,8.9621E-09,7.9902E-09,7.0309E-09,5.5266E-09,3.6554E-09,2.2166E-09,1.0121E-09,3.5941E-10,9.2692E-11,2.6681E-11,8.8100E-12,1.5129E-12,1.0786E-13\n\"PROPENE\",\"ppmV\",3.9320E-08,3.9639E-08,3.9698E-08,3.9203E-08,3.8276E-08,3.7148E-08,3.5491E-08,3.3269E-08,3.0732E-08,2.7143E-08,2.4004E-08,2.0768E-08,1.7304E-08,1.4347E-08,1.1938E-08,9.7224E-09,7.8755E-09,6.5576E-09,5.6280E-09,4.9010E-09,4.5548E-09,4.3244E-09,4.1536E-09,4.1290E-09,4.1655E-09,4.1537E-09,4.0953E-09,4.1053E-09,4.1538E-09,4.1619E-09,3.9120E-09,3.6606E-09,3.2636E-09,2.8718E-09,2.2574E-09,1.4931E-09,9.0536E-10,4.1339E-10,1.4680E-10,3.7860E-11,1.0898E-11,3.5984E-12,6.1793E-13,4.4056E-14\n\"OLE2\",\"ppmV\",7.4448E-09,7.6704E-09,7.7114E-09,7.4720E-09,7.1001E-09,6.6934E-09,6.1508E-09,5.4664E-09,4.7453E-09,3.6848E-09,2.9363E-09,2.2695E-09,1.6421E-09,1.1841E-09,8.8328E-10,6.3624E-10,4.4867E-10,3.0836E-10,2.1244E-10,1.4515E-10,1.1594E-10,1.0050E-10,6.9506E-11,6.1462E-11,6.0797E-11,6.0610E-11,5.8952E-11,5.3390E-11,4.6202E-11,3.8847E-11,3.0215E-11,2.6736E-11,2.7139E-11,2.8214E-11,2.5768E-11,2.1311E-11,1.4407E-11,6.8335E-12,1.7422E-12,1.7716E-13,4.5363E-15,6.8463E-17,5.3885E-19,4.3827E-21\n\"ISOPRENE\",\"ppmV\",9.1576E-09,9.2996E-09,9.3197E-09,9.1265E-09,8.8199E-09,8.4653E-09,7.9663E-09,7.3161E-09,6.6104E-09,5.5801E-09,4.7546E-09,3.9610E-09,3.1208E-09,2.4296E-09,1.9089E-09,1.4651E-09,1.0818E-09,7.7693E-10,5.5930E-10,3.8644E-10,3.0726E-10,2.5750E-10,1.9684E-10,1.7474E-10,1.6637E-10,1.5850E-10,1.4666E-10,1.2618E-10,1.0582E-10,8.7325E-11,6.7775E-11,5.5216E-11,4.6821E-11,3.5271E-11,2.2093E-11,1.2586E-11,5.6529E-12,6.9933E-13,7.6732E-14,1.4907E-15,9.2721E-18,2.4331E-19,9.6984E-21,1.1903E-22\n\"ISOPO2\",\"ppmV\",7.7054E-11,8.1346E-11,8.2374E-11,7.9991E-11,7.6413E-11,7.2710E-11,6.8124E-11,6.2302E-11,5.6108E-11,4.6150E-11,3.9625E-11,3.3972E-11,2.8394E-11,2.3312E-11,1.9199E-11,1.5348E-11,1.2156E-11,9.1534E-12,7.1782E-12,5.5981E-12,4.5468E-12,3.9636E-12,3.2952E-12,3.0479E-12,2.9881E-12,2.8836E-12,2.7315E-12,2.4200E-12,2.0555E-12,1.7525E-12,1.4062E-12,1.1821E-12,9.7574E-13,7.3569E-13,4.6393E-13,2.5604E-13,8.3812E-14,1.2181E-14,1.7028E-15,2.8962E-17,3.6540E-19,3.6930E-20,4.5241E-21,1.5416E-22\n\"MACR\",\"ppmV\",1.2026E-09,1.2255E-09,1.2393E-09,1.2432E-09,1.2321E-09,1.2118E-09,1.1754E-09,1.1202E-09,1.0529E-09,9.6099E-10,8.6524E-10,7.5597E-10,6.3451E-10,5.2772E-10,4.3704E-10,3.5024E-10,2.7477E-10,2.1661E-10,1.7911E-10,1.4757E-10,1.3322E-10,1.3098E-10,1.2534E-10,1.2378E-10,1.2503E-10,1.2284E-10,1.1778E-10,1.1832E-10,1.2606E-10,1.3628E-10,1.4380E-10,1.4673E-10,1.3400E-10,1.0895E-10,7.0142E-11,3.5707E-11,1.6789E-11,4.2000E-12,7.0294E-13,4.9412E-14,2.6367E-15,1.6618E-16,9.9292E-18,2.7414E-19\n\"MVK\",\"ppmV\",1.6189E-09,1.6498E-09,1.6684E-09,1.6736E-09,1.6585E-09,1.6313E-09,1.5822E-09,1.5079E-09,1.4173E-09,1.2936E-09,1.1648E-09,1.0176E-09,8.5414E-10,7.1040E-10,5.8832E-10,4.7147E-10,3.6988E-10,2.9159E-10,2.4112E-10,1.9865E-10,1.7934E-10,1.7632E-10,1.6872E-10,1.6663E-10,1.6831E-10,1.6536E-10,1.5854E-10,1.5927E-10,1.6969E-10,1.8346E-10,1.9357E-10,1.9752E-10,1.8039E-10,1.4666E-10,9.4422E-11,4.8067E-11,2.2601E-11,5.6539E-12,9.4626E-13,6.6516E-14,3.5494E-15,2.2371E-16,1.3366E-17,3.6903E-19\n\"IPRD\",\"ppmV\",1.8039E-09,1.8383E-09,1.8590E-09,1.8648E-09,1.8481E-09,1.8177E-09,1.7631E-09,1.6802E-09,1.5793E-09,1.4415E-09,1.2979E-09,1.1339E-09,9.5176E-10,7.9158E-10,6.5556E-10,5.2536E-10,4.1215E-10,3.2492E-10,2.6867E-10,2.2136E-10,1.9983E-10,1.9647E-10,1.8801E-10,1.8568E-10,1.8755E-10,1.8426E-10,1.7666E-10,1.7747E-10,1.8908E-10,2.0442E-10,2.1569E-10,2.2009E-10,2.0100E-10,1.6342E-10,1.0521E-10,5.3560E-11,2.5184E-11,6.3000E-12,1.0544E-12,7.4118E-14,3.9550E-15,2.4928E-16,1.4894E-17,4.1121E-19\n\"ISOPNB\",\"ppmV\",1.1028E-10,1.1640E-10,1.1975E-10,1.2134E-10,1.2143E-10,1.2031E-10,1.1756E-10,1.1255E-10,1.0685E-10,9.9068E-11,9.0871E-11,8.1795E-11,7.2624E-11,6.4995E-11,6.0098E-11,5.8384E-11,6.2711E-11,7.0804E-11,8.1620E-11,9.1084E-11,1.0120E-10,1.1297E-10,1.2984E-10,1.4176E-10,1.6165E-10,1.8677E-10,2.1702E-10,2.7962E-10,3.7587E-10,4.7533E-10,5.4960E-10,5.7145E-10,5.3469E-10,5.2075E-10,4.5323E-10,3.0099E-10,1.7590E-10,7.2450E-11,2.2241E-11,3.3785E-12,5.5605E-13,1.8937E-13,2.0022E-14,2.8581E-15\n\"ISOPND\",\"ppmV\",1.6542E-10,1.7460E-10,1.7963E-10,1.8202E-10,1.8214E-10,1.8047E-10,1.7633E-10,1.6882E-10,1.6028E-10,1.4860E-10,1.3631E-10,1.2269E-10,1.0894E-10,9.7492E-11,9.0147E-11,8.7576E-11,9.4067E-11,1.0621E-10,1.2243E-10,1.3663E-10,1.5180E-10,1.6946E-10,1.9476E-10,2.1265E-10,2.4248E-10,2.8015E-10,3.2553E-10,4.1944E-10,5.6381E-10,7.1299E-10,8.2440E-10,8.5718E-10,8.0203E-10,7.8112E-10,6.7984E-10,4.5148E-10,2.6385E-10,1.0868E-10,3.3361E-11,5.0678E-12,8.3407E-13,2.8405E-13,3.0033E-14,4.2871E-15\n\"ISOPOOH\",\"ppmV\",5.5762E-10,5.8797E-10,6.0137E-10,6.0748E-10,6.0869E-10,6.0613E-10,5.9729E-10,5.7983E-10,5.5235E-10,5.0523E-10,4.6259E-10,4.1608E-10,3.6189E-10,3.1027E-10,2.6280E-10,2.1448E-10,1.7319E-10,1.3859E-10,1.1456E-10,9.4406E-11,8.4172E-11,7.8942E-11,7.0598E-11,6.4859E-11,6.1452E-11,5.8280E-11,5.5473E-11,5.4997E-11,5.7903E-11,6.0079E-11,5.8072E-11,5.2444E-11,4.0619E-11,2.9230E-11,1.7927E-11,8.6503E-12,3.2719E-12,6.9161E-13,6.5073E-14,2.0568E-15,1.1283E-16,1.0176E-17,1.1984E-18,3.3218E-20\n\"HPALD\",\"ppmV\",6.3427E-10,6.3310E-10,6.3050E-10,6.2188E-10,6.0624E-10,5.8704E-10,5.5870E-10,5.2338E-10,4.8274E-10,4.2640E-10,3.6894E-10,3.0635E-10,2.3673E-10,1.7838E-10,1.3337E-10,9.5972E-11,6.8365E-11,4.6540E-11,3.2348E-11,2.2380E-11,1.7051E-11,1.3349E-11,8.8178E-12,6.8985E-12,6.1146E-12,5.5355E-12,4.9366E-12,4.2051E-12,3.5717E-12,3.0224E-12,2.4571E-12,2.0082E-12,1.6690E-12,1.3196E-12,8.9693E-13,5.3797E-13,2.6632E-13,3.7385E-14,6.3382E-15,1.3352E-16,2.0916E-19,3.7162E-22,1.5148E-23,1.4261E-24\n\"MACO3\",\"ppmV\",1.3727E-09,1.3622E-09,1.3469E-09,1.3325E-09,1.3173E-09,1.2998E-09,1.2821E-09,1.2682E-09,1.2575E-09,1.2742E-09,1.2809E-09,1.2803E-09,1.2792E-09,1.2917E-09,1.3064E-09,1.3148E-09,1.3100E-09,1.3013E-09,1.2894E-09,1.2713E-09,1.2320E-09,1.2008E-09,1.1949E-09,1.1849E-09,1.1748E-09,1.1676E-09,1.1556E-09,1.1215E-09,1.0768E-09,1.0296E-09,9.7190E-10,9.1975E-10,8.5384E-10,7.8732E-10,7.3324E-10,6.7953E-10,5.8669E-10,4.5367E-10,2.8894E-10,1.2014E-10,5.0076E-11,2.7873E-11,1.6313E-11,1.2535E-11\n\"IEPOX\",\"ppmV\",1.5706E-09,1.6516E-09,1.6902E-09,1.7167E-09,1.7397E-09,1.7583E-09,1.7706E-09,1.7701E-09,1.7466E-09,1.6979E-09,1.6497E-09,1.5976E-09,1.5348E-09,1.4955E-09,1.6012E-09,1.9115E-09,2.2483E-09,2.7065E-09,3.1337E-09,3.5949E-09,4.1005E-09,4.3920E-09,4.6050E-09,5.3094E-09,6.8147E-09,9.3540E-09,1.3356E-08,1.9389E-08,2.9112E-08,4.3840E-08,6.7940E-08,9.5077E-08,1.2364E-07,1.5220E-07,1.6108E-07,1.4789E-07,1.1741E-07,8.0926E-08,4.0449E-08,9.1397E-09,8.5843E-10,1.8749E-10,3.5957E-11,7.2574E-12\n\"IEPOXOO\",\"ppmV\",7.8325E-12,8.0303E-12,8.1629E-12,8.3125E-12,8.4660E-12,8.6023E-12,8.7355E-12,8.8295E-12,8.8536E-12,8.7534E-12,8.5598E-12,8.2506E-12,7.7778E-12,7.4469E-12,7.9220E-12,9.4917E-12,1.0632E-11,1.1134E-11,1.0875E-11,1.1922E-11,1.4028E-11,1.5119E-11,1.6215E-11,1.8276E-11,2.2412E-11,3.1585E-11,4.7053E-11,6.5808E-11,9.3161E-11,1.3676E-10,2.2047E-10,3.0956E-10,3.7457E-10,4.1613E-10,3.9450E-10,3.3083E-10,2.3247E-10,1.5252E-10,8.2003E-11,1.9282E-11,1.6726E-12,6.3584E-13,1.6247E-13,5.6506E-14\n\"TERP\",\"ppmV\",3.5684E-15,3.5876E-15,3.6035E-15,3.6191E-15,3.6354E-15,3.6528E-15,3.6719E-15,3.6937E-15,3.7207E-15,3.7543E-15,3.7964E-15,3.8502E-15,3.9208E-15,4.0196E-15,4.1534E-15,4.3546E-15,4.6876E-15,5.3003E-15,6.3790E-15,8.4465E-15,1.2509E-14,1.7677E-14,1.9689E-14,2.0987E-14,1.9156E-14,1.7425E-14,1.9689E-14,3.2104E-14,6.1164E-14,1.0995E-13,1.6239E-13,1.9287E-13,1.9867E-13,1.9382E-13,2.7988E-13,3.3981E-13,1.2417E-13,1.3148E-14,1.5194E-15,5.7082E-17,2.7401E-19,1.8774E-21,1.2645E-23,1.0008E-24\n\"APIN\",\"ppmV\",3.8924E-20,3.8852E-20,3.8984E-20,3.9129E-20,3.9167E-20,3.9319E-20,3.9351E-20,3.9563E-20,3.9798E-20,4.0089E-20,4.0705E-20,4.1459E-20,4.2568E-20,4.4116E-20,4.6276E-20,4.9782E-20,5.6579E-20,7.7535E-20,1.0108E-19,2.8072E-19,6.3678E-19,8.8247E-19,1.2040E-18,1.9601E-18,3.3639E-18,5.4607E-18,8.0540E-18,1.0883E-17,1.2813E-17,1.3752E-17,1.0947E-17,3.8618E-18,8.0945E-19,4.9805E-20,4.6766E-21,2.7696E-21,1.6447E-21,2.9187E-22,5.3057E-23,1.9771E-24,9.6012E-25,9.6215E-25,9.5566E-25,9.4302E-25\n\"TERPNRO2\",\"ppmV\",1.8245E-15,1.8437E-15,1.8684E-15,1.8985E-15,1.9299E-15,1.9623E-15,1.9966E-15,2.0345E-15,2.0785E-15,2.1297E-15,2.1867E-15,2.2517E-15,2.3282E-15,2.4203E-15,2.5371E-15,2.6996E-15,2.9549E-15,3.3634E-15,4.1887E-15,5.7255E-15,6.7342E-15,1.0147E-14,7.2313E-15,4.5855E-15,3.1362E-15,2.7232E-15,2.5576E-15,1.7301E-15,1.7519E-15,2.9731E-15,6.3531E-15,1.1620E-14,1.4517E-14,1.4591E-14,1.3309E-14,1.4056E-14,4.3616E-15,3.1541E-16,1.1010E-17,6.6687E-19,1.7228E-20,9.5891E-22,2.3553E-23,9.2221E-25\n\"MTNO3\",\"ppmV\",2.2591E-10,2.3635E-10,2.4034E-10,2.4283E-10,2.4552E-10,2.4737E-10,2.4917E-10,2.5093E-10,2.5255E-10,2.5420E-10,2.5687E-10,2.6276E-10,2.7211E-10,2.7989E-10,2.9075E-10,2.8146E-10,2.6375E-10,2.5463E-10,2.5785E-10,2.5429E-10,2.6775E-10,2.8275E-10,2.9745E-10,3.2376E-10,3.5004E-10,3.6131E-10,3.4919E-10,3.4022E-10,3.4683E-10,3.8225E-10,4.3279E-10,4.4819E-10,4.2853E-10,4.1983E-10,3.8654E-10,2.6398E-10,1.0381E-10,2.2413E-11,2.6081E-12,1.8884E-13,3.2380E-15,4.5989E-17,8.8111E-19,2.4840E-20\n\"BENZENE\",\"ppmV\",2.1689E-05,2.1711E-05,2.1721E-05,2.1726E-05,2.1727E-05,2.1728E-05,2.1722E-05,2.1719E-05,2.1715E-05,2.1702E-05,2.1666E-05,2.1615E-05,2.1513E-05,2.1456E-05,2.1376E-05,2.1305E-05,2.1159E-05,2.1023E-05,2.0877E-05,2.0685E-05,2.0565E-05,2.0547E-05,2.0912E-05,2.1236E-05,2.1528E-05,2.1931E-05,2.2215E-05,2.2293E-05,2.2210E-05,2.1914E-05,2.1287E-05,2.0513E-05,1.9521E-05,1.8313E-05,1.6933E-05,1.4754E-05,1.1364E-05,7.4759E-06,4.1283E-06,1.6825E-06,7.7383E-07,4.4254E-07,2.3596E-07,1.5562E-07\n\"CRES\",\"ppmV\",1.1160E-07,1.1814E-07,1.2094E-07,1.2282E-07,1.2438E-07,1.2577E-07,1.2705E-07,1.2848E-07,1.3013E-07,1.3253E-07,1.3508E-07,1.3807E-07,1.4124E-07,1.4467E-07,1.4798E-07,1.5111E-07,1.5092E-07,1.4991E-07,1.4644E-07,1.4254E-07,1.3946E-07,1.4240E-07,1.5099E-07,1.6150E-07,1.7383E-07,1.9020E-07,2.0719E-07,2.2172E-07,2.3185E-07,2.3745E-07,2.3586E-07,2.2849E-07,2.1502E-07,1.9550E-07,1.6850E-07,1.3109E-07,8.5630E-08,4.4901E-08,1.8996E-08,6.2644E-09,2.5364E-09,1.2379E-09,6.2989E-10,4.4300E-10\n\"AFG1\",\"ppmV\",2.5211E-08,2.5700E-08,2.5901E-08,2.5994E-08,2.5996E-08,2.5969E-08,2.5844E-08,2.5678E-08,2.5458E-08,2.5117E-08,2.4690E-08,2.4219E-08,2.3701E-08,2.3144E-08,2.2396E-08,2.1419E-08,2.0112E-08,1.8904E-08,1.7650E-08,1.6309E-08,1.5143E-08,1.4584E-08,1.4586E-08,1.4723E-08,1.4974E-08,1.5378E-08,1.5602E-08,1.5625E-08,1.5550E-08,1.5309E-08,1.4929E-08,1.4687E-08,1.4365E-08,1.3963E-08,1.3749E-08,1.3349E-08,1.1983E-08,9.1937E-09,5.6476E-09,2.1579E-09,7.6360E-10,2.8235E-10,1.0276E-10,5.9033E-11\n\"AFG2\",\"ppmV\",2.5211E-08,2.5700E-08,2.5901E-08,2.5994E-08,2.5996E-08,2.5969E-08,2.5844E-08,2.5678E-08,2.5458E-08,2.5117E-08,2.4690E-08,2.4219E-08,2.3701E-08,2.3144E-08,2.2396E-08,2.1419E-08,2.0112E-08,1.8904E-08,1.7650E-08,1.6309E-08,1.5143E-08,1.4584E-08,1.4586E-08,1.4723E-08,1.4974E-08,1.5378E-08,1.5602E-08,1.5625E-08,1.5550E-08,1.5309E-08,1.4929E-08,1.4687E-08,1.4365E-08,1.3963E-08,1.3749E-08,1.3349E-08,1.1983E-08,9.1937E-09,5.6476E-09,2.1579E-09,7.6360E-10,2.8235E-10,1.0276E-10,5.9033E-11\n\"BENZRO2\",\"ppmV\",4.1125E-09,3.9884E-09,3.9593E-09,3.9769E-09,4.0071E-09,4.0410E-09,4.0868E-09,4.1525E-09,4.2415E-09,4.4159E-09,4.5229E-09,4.5899E-09,4.6308E-09,4.6847E-09,4.7405E-09,4.7882E-09,4.7643E-09,4.7563E-09,4.7022E-09,4.4503E-09,4.0655E-09,3.7084E-09,3.5568E-09,3.4512E-09,3.3712E-09,3.3097E-09,3.2483E-09,3.1509E-09,3.0322E-09,2.8689E-09,2.6821E-09,2.4911E-09,2.2626E-09,2.0280E-09,1.8105E-09,1.5933E-09,1.3135E-09,9.6494E-10,6.1391E-10,2.8676E-10,1.4746E-10,1.1097E-10,8.2749E-11,6.9798E-11\n\"ARO1\",\"ppmV\",4.0408E-06,4.0453E-06,4.0463E-06,4.0441E-06,4.0378E-06,4.0301E-06,4.0154E-06,3.9980E-06,3.9764E-06,3.9453E-06,3.9047E-06,3.8587E-06,3.7993E-06,3.7523E-06,3.6969E-06,3.6142E-06,3.5179E-06,3.4366E-06,3.3696E-06,3.2480E-06,3.1204E-06,3.0463E-06,3.0588E-06,3.0223E-06,2.9837E-06,2.9359E-06,2.8266E-06,2.7022E-06,2.5969E-06,2.4624E-06,2.2395E-06,1.9931E-06,1.7713E-06,1.5982E-06,1.4274E-06,1.1369E-06,7.4019E-07,3.3115E-07,1.0221E-07,1.6528E-08,1.9982E-09,5.0361E-10,1.3658E-10,3.8048E-11\n\"TOLRO2\",\"ppmV\",3.7487E-09,3.6253E-09,3.5987E-09,3.6153E-09,3.6422E-09,3.6719E-09,3.7108E-09,3.7638E-09,3.8413E-09,3.9708E-09,4.0501E-09,4.0824E-09,4.0838E-09,4.1461E-09,4.2468E-09,4.2310E-09,4.1903E-09,4.1577E-09,4.2302E-09,4.0821E-09,3.4705E-09,2.9005E-09,2.5789E-09,2.3755E-09,2.2658E-09,2.1815E-09,2.0753E-09,1.9671E-09,1.8845E-09,1.7798E-09,1.6298E-09,1.4721E-09,1.2779E-09,1.1058E-09,9.3669E-10,7.4673E-10,5.0696E-10,2.8337E-10,1.2348E-10,2.8039E-11,4.0411E-12,1.2498E-12,4.7962E-13,1.6118E-13\n\"AFG3\",\"ppmV\",7.5984E-09,7.8647E-09,7.9695E-09,7.9967E-09,7.9590E-09,7.8957E-09,7.7683E-09,7.6038E-09,7.4121E-09,7.1329E-09,6.8070E-09,6.4492E-09,6.0846E-09,5.7482E-09,5.4125E-09,4.9824E-09,4.5295E-09,4.1125E-09,3.7842E-09,3.3778E-09,2.9629E-09,2.7114E-09,2.5978E-09,2.5184E-09,2.4623E-09,2.4009E-09,2.2830E-09,2.1323E-09,1.9792E-09,1.8035E-09,1.5922E-09,1.4477E-09,1.3377E-09,1.2441E-09,1.1735E-09,1.0737E-09,8.8018E-10,5.3905E-10,2.3523E-10,4.9634E-11,4.5887E-12,7.9870E-13,1.4668E-13,2.3167E-14\n\"ARO2MN\",\"ppmV\",2.4070E-07,2.4157E-07,2.4176E-07,2.4073E-07,2.3860E-07,2.3596E-07,2.3184E-07,2.2638E-07,2.1988E-07,2.1071E-07,2.0161E-07,1.9196E-07,1.8103E-07,1.7151E-07,1.6249E-07,1.5174E-07,1.4248E-07,1.3601E-07,1.2995E-07,1.2013E-07,1.1016E-07,1.0286E-07,1.0067E-07,9.7397E-08,9.4255E-08,9.0088E-08,8.4206E-08,7.7766E-08,7.1500E-08,6.4211E-08,5.3674E-08,4.4139E-08,3.6438E-08,3.0478E-08,2.4893E-08,1.8577E-08,1.1900E-08,5.0862E-09,1.4888E-09,2.5141E-10,4.3992E-11,1.5381E-11,3.7902E-12,5.6194E-13\n\"MXYL\",\"ppmV\",5.3951E-08,5.4144E-08,5.4187E-08,5.3958E-08,5.3479E-08,5.2888E-08,5.1965E-08,5.0739E-08,4.9283E-08,4.7228E-08,4.5189E-08,4.3026E-08,4.0575E-08,3.8442E-08,3.6420E-08,3.4012E-08,3.1935E-08,3.0484E-08,2.9127E-08,2.6926E-08,2.4692E-08,2.3056E-08,2.2563E-08,2.1830E-08,2.1126E-08,2.0192E-08,1.8874E-08,1.7430E-08,1.6026E-08,1.4392E-08,1.2030E-08,9.8932E-09,8.1671E-09,6.8314E-09,5.5795E-09,4.1639E-09,2.6673E-09,1.1400E-09,3.3369E-10,5.6350E-11,9.8604E-12,3.4475E-12,8.4952E-13,1.2595E-13\n\"OXYL\",\"ppmV\",4.5651E-08,4.5814E-08,4.5851E-08,4.5657E-08,4.5251E-08,4.4752E-08,4.3970E-08,4.2933E-08,4.1701E-08,3.9962E-08,3.8237E-08,3.6407E-08,3.4333E-08,3.2528E-08,3.0817E-08,2.8779E-08,2.7022E-08,2.5794E-08,2.4646E-08,2.2784E-08,2.0893E-08,1.9509E-08,1.9092E-08,1.8472E-08,1.7876E-08,1.7086E-08,1.5970E-08,1.4749E-08,1.3560E-08,1.2178E-08,1.0179E-08,8.3712E-09,6.9106E-09,5.7804E-09,4.7211E-09,3.5233E-09,2.2570E-09,9.6462E-10,2.8236E-10,4.7680E-11,8.3434E-12,2.9171E-12,7.1882E-13,1.0658E-13\n\"PXYL\",\"ppmV\",5.3951E-08,5.4144E-08,5.4187E-08,5.3958E-08,5.3479E-08,5.2888E-08,5.1965E-08,5.0739E-08,4.9283E-08,4.7228E-08,4.5189E-08,4.3026E-08,4.0575E-08,3.8442E-08,3.6420E-08,3.4012E-08,3.1935E-08,3.0484E-08,2.9127E-08,2.6926E-08,2.4692E-08,2.3056E-08,2.2563E-08,2.1830E-08,2.1126E-08,2.0192E-08,1.8874E-08,1.7430E-08,1.6026E-08,1.4392E-08,1.2030E-08,9.8932E-09,8.1671E-09,6.8314E-09,5.5795E-09,4.1639E-09,2.6673E-09,1.1400E-09,3.3369E-10,5.6350E-11,9.8604E-12,3.4475E-12,8.4952E-13,1.2595E-13\n\"TMBENZ124\",\"ppmV\",2.0750E-08,2.0825E-08,2.0841E-08,2.0753E-08,2.0569E-08,2.0342E-08,1.9987E-08,1.9515E-08,1.8955E-08,1.8164E-08,1.7380E-08,1.6549E-08,1.5606E-08,1.4785E-08,1.4008E-08,1.3081E-08,1.2283E-08,1.1725E-08,1.1203E-08,1.0356E-08,9.4968E-09,8.8676E-09,8.6781E-09,8.3963E-09,8.1254E-09,7.7662E-09,7.2592E-09,6.7040E-09,6.1638E-09,5.5355E-09,4.6270E-09,3.8051E-09,3.1412E-09,2.6274E-09,2.1460E-09,1.6015E-09,1.0259E-09,4.3846E-10,1.2834E-10,2.1673E-11,3.7925E-12,1.3259E-12,3.2674E-13,4.8443E-14\n\"XYLRO2\",\"ppmV\",1.1294E-09,1.0991E-09,1.0902E-09,1.0878E-09,1.0837E-09,1.0778E-09,1.0690E-09,1.0574E-09,1.0459E-09,1.0315E-09,1.0059E-09,9.6841E-10,9.2084E-10,8.8704E-10,8.6275E-10,8.1295E-10,7.7155E-10,7.4046E-10,7.4040E-10,7.0368E-10,5.8769E-10,4.6118E-10,3.7188E-10,3.2278E-10,2.9974E-10,2.7854E-10,2.5297E-10,2.2691E-10,2.0443E-10,1.8268E-10,1.5512E-10,1.3077E-10,1.0349E-10,8.1503E-11,6.2751E-11,4.5749E-11,2.8515E-11,1.4498E-11,5.8948E-12,1.3711E-12,2.9833E-13,1.3654E-13,4.3844E-14,7.7603E-15\n\"NAPHTHAL\",\"ppmV\",9.8989E-09,9.9100E-09,9.9129E-09,9.9133E-09,9.9098E-09,9.9066E-09,9.8896E-09,9.8772E-09,9.8492E-09,9.8007E-09,9.7079E-09,9.6182E-09,9.4990E-09,9.4135E-09,9.2822E-09,8.9944E-09,8.7345E-09,8.5500E-09,8.3497E-09,7.9330E-09,7.5143E-09,7.1708E-09,7.1340E-09,6.9926E-09,6.8991E-09,6.7839E-09,6.5591E-09,6.2532E-09,5.9188E-09,5.4669E-09,4.6712E-09,3.8545E-09,3.1529E-09,2.6912E-09,2.0555E-09,1.2752E-09,7.1942E-10,3.1500E-10,1.1232E-10,3.1237E-11,1.1178E-11,4.9113E-12,1.2465E-12,1.8105E-13\n\"PAHRO2\",\"ppmV\",2.5360E-11,2.4556E-11,2.4365E-11,2.4445E-11,2.4587E-11,2.4746E-11,2.4942E-11,2.5232E-11,2.5613E-11,2.6236E-11,2.6561E-11,2.6752E-11,2.6840E-11,2.7247E-11,2.7813E-11,2.7407E-11,2.6991E-11,2.6785E-11,2.7622E-11,2.7066E-11,2.3166E-11,1.8481E-11,1.5050E-11,1.3134E-11,1.2432E-11,1.1863E-11,1.1135E-11,1.0312E-11,9.5998E-12,8.8519E-12,7.7178E-12,6.5620E-12,5.2289E-12,4.2005E-12,3.1950E-12,2.1917E-12,1.3115E-12,6.9355E-13,3.2417E-13,1.0887E-13,4.3598E-14,2.5072E-14,8.3808E-15,1.4486E-15\n\"BZO\",\"ppmV\",4.6734E-09,4.9340E-09,5.0738E-09,5.2150E-09,5.3657E-09,5.5233E-09,5.7128E-09,5.9589E-09,6.2876E-09,6.9660E-09,7.6097E-09,8.2571E-09,9.0709E-09,1.0112E-08,1.1274E-08,1.2431E-08,1.3310E-08,1.4046E-08,1.4741E-08,1.5674E-08,1.5856E-08,1.6031E-08,1.6578E-08,1.7099E-08,1.7826E-08,1.8394E-08,1.8627E-08,1.8642E-08,1.8408E-08,1.8356E-08,1.8784E-08,1.9258E-08,1.8911E-08,1.7810E-08,1.6377E-08,1.4743E-08,1.2780E-08,1.0233E-08,6.8502E-09,3.0170E-09,1.0917E-09,4.4765E-10,2.9191E-10,2.9203E-10\n\"NPHE\",\"ppmV\",2.3425E-07,2.4357E-07,2.4792E-07,2.5103E-07,2.5364E-07,2.5615E-07,2.5821E-07,2.6039E-07,2.6251E-07,2.6429E-07,2.6638E-07,2.6901E-07,2.7153E-07,2.7555E-07,2.7827E-07,2.7949E-07,2.7914E-07,2.8033E-07,2.8360E-07,3.0153E-07,3.3469E-07,3.8456E-07,4.4443E-07,5.0649E-07,5.8413E-07,6.8056E-07,7.8499E-07,8.8469E-07,9.8724E-07,1.0971E-06,1.2044E-06,1.2999E-06,1.3489E-06,1.3524E-06,1.3435E-06,1.2982E-06,1.1558E-06,9.3116E-07,6.1277E-07,2.5760E-07,9.7232E-08,3.8102E-08,1.3364E-08,7.4991E-09\n\"MAPAN\",\"ppmV\",3.0920E-07,3.1110E-07,3.1199E-07,3.1257E-07,3.1284E-07,3.1291E-07,3.1258E-07,3.1184E-07,3.1030E-07,3.0747E-07,3.0351E-07,2.9882E-07,2.9319E-07,2.8786E-07,2.8130E-07,2.7371E-07,2.6686E-07,2.6336E-07,2.6068E-07,2.5462E-07,2.4626E-07,2.3940E-07,2.3644E-07,2.2985E-07,2.2053E-07,2.0920E-07,1.9348E-07,1.7632E-07,1.5959E-07,1.4067E-07,1.1852E-07,9.8422E-08,8.1299E-08,6.9133E-08,5.9931E-08,4.9354E-08,3.6310E-08,2.3416E-08,1.3646E-08,6.1147E-09,3.0228E-09,2.0318E-09,1.0725E-09,5.9353E-10\n\"CL2\",\"ppmV\",3.1848E-06,2.6677E-06,2.4102E-06,2.2170E-06,2.0493E-06,1.9080E-06,1.7606E-06,1.6100E-06,1.4836E-06,1.3416E-06,1.1880E-06,1.0121E-06,7.9241E-07,6.0468E-07,4.6666E-07,3.4868E-07,2.4791E-07,1.7232E-07,1.2027E-07,8.0447E-08,6.2435E-08,5.0828E-08,3.3165E-08,2.6918E-08,2.5112E-08,2.3919E-08,2.2252E-08,1.8923E-08,1.5736E-08,1.2735E-08,9.9306E-09,8.1697E-09,7.2023E-09,6.1694E-09,4.4518E-09,2.6316E-09,1.2957E-09,1.1998E-10,1.0892E-11,2.5351E-12,7.7601E-12,9.1336E-11,7.9534E-10,2.4531E-09\n\"CL\",\"ppmV\",1.8843E-10,1.3969E-10,1.2353E-10,1.1553E-10,1.1089E-10,1.0899E-10,1.0886E-10,1.0821E-10,1.0926E-10,1.0852E-10,1.0576E-10,1.0332E-10,9.2251E-11,9.0735E-11,9.4689E-11,9.1533E-11,7.8429E-11,6.9207E-11,6.3123E-11,6.0639E-11,4.8241E-11,4.1446E-11,3.7541E-11,3.2142E-11,3.1487E-11,3.1442E-11,3.2179E-11,3.3198E-11,3.4556E-11,3.6412E-11,4.1071E-11,4.6090E-11,4.7219E-11,4.8981E-11,5.6154E-11,7.1786E-11,9.8825E-11,1.4906E-10,2.2160E-10,3.1198E-10,3.6166E-10,3.0542E-10,3.1625E-10,3.0533E-10\n\"CLO\",\"ppmV\",1.3283E-07,1.0466E-07,9.5584E-08,9.1686E-08,9.0230E-08,9.0699E-08,9.3417E-08,9.6647E-08,1.0292E-07,1.1146E-07,1.2050E-07,1.2621E-07,1.2727E-07,1.3464E-07,1.4718E-07,1.4788E-07,1.3334E-07,1.2221E-07,1.1028E-07,9.6880E-08,7.3462E-08,6.0973E-08,5.6190E-08,5.0036E-08,5.0038E-08,5.0721E-08,5.3447E-08,5.6678E-08,6.0198E-08,6.4076E-08,7.0631E-08,7.5324E-08,7.1191E-08,6.2469E-08,5.8027E-08,5.9170E-08,6.7326E-08,9.0000E-08,1.2622E-07,1.7831E-07,2.8273E-07,7.3665E-07,2.2681E-06,4.7181E-06\n\"CLCHO\",\"ppmV\",4.9595E-06,4.9899E-06,5.0055E-06,5.0185E-06,5.0308E-06,5.0438E-06,5.0573E-06,5.0739E-06,5.0903E-06,5.1070E-06,5.1230E-06,5.1384E-06,5.1520E-06,5.1809E-06,5.2207E-06,5.2687E-06,5.2977E-06,5.3080E-06,5.3103E-06,5.2814E-06,5.2354E-06,5.2077E-06,5.2365E-06,5.2482E-06,5.2406E-06,5.2472E-06,5.2341E-06,5.1959E-06,5.1289E-06,5.0105E-06,4.8358E-06,4.6341E-06,4.3949E-06,4.1178E-06,3.7891E-06,3.3244E-06,2.6625E-06,1.9341E-06,1.2317E-06,6.4416E-07,3.6598E-07,2.2677E-07,1.3216E-07,9.1725E-08\n\"HCL\",\"ppmV\",1.4001E-04,1.4003E-04,1.3847E-04,1.3679E-04,1.3471E-04,1.3149E-04,1.2755E-04,1.2246E-04,1.1658E-04,1.1020E-04,1.0249E-04,9.3975E-05,8.6557E-05,8.2115E-05,8.1151E-05,7.8217E-05,7.5829E-05,8.1217E-05,8.5392E-05,8.4884E-05,8.1505E-05,7.6030E-05,7.2529E-05,6.6630E-05,6.2027E-05,5.8353E-05,5.6403E-05,5.5783E-05,5.5710E-05,5.6300E-05,5.9520E-05,6.3201E-05,6.1118E-05,5.8580E-05,5.8015E-05,6.2532E-05,6.7257E-05,7.7093E-05,9.0043E-05,1.0216E-04,1.0779E-04,1.0657E-04,9.5006E-05,8.1132E-05\n\"CLNO2\",\"ppmV\",1.3426E-06,1.3416E-06,1.3430E-06,1.3453E-06,1.3335E-06,1.3090E-06,1.2764E-06,1.2294E-06,1.1706E-06,1.0923E-06,1.0109E-06,9.1656E-07,8.1551E-07,7.0072E-07,5.8106E-07,4.6328E-07,3.6665E-07,2.8670E-07,2.1487E-07,1.5927E-07,1.3327E-07,1.1483E-07,1.0672E-07,1.0226E-07,9.6559E-08,9.0085E-08,8.5294E-08,7.8934E-08,7.0885E-08,6.0477E-08,4.7539E-08,3.6601E-08,3.0116E-08,2.4578E-08,1.7645E-08,1.1109E-08,5.8601E-09,1.4096E-09,1.7603E-10,5.5964E-12,2.1417E-14,1.5474E-16,2.4290E-18,4.1856E-20\n\"CLONO2\",\"ppmV\",1.6844E-06,1.7206E-06,1.7215E-06,1.7129E-06,1.6932E-06,1.6697E-06,1.6437E-06,1.6092E-06,1.5720E-06,1.5121E-06,1.4376E-06,1.3294E-06,1.2029E-06,1.0975E-06,1.0140E-06,8.8663E-07,7.8837E-07,7.3137E-07,7.0911E-07,6.7685E-07,6.1126E-07,5.6417E-07,5.3424E-07,5.0338E-07,4.7581E-07,4.4606E-07,4.3150E-07,4.1606E-07,3.9734E-07,3.8646E-07,4.0000E-07,4.0564E-07,3.8071E-07,3.5143E-07,3.5931E-07,4.1341E-07,5.4534E-07,7.7984E-07,1.0939E-06,1.3964E-06,1.9877E-06,4.4431E-06,9.9405E-06,1.3753E-05\n\"SESQ\",\"ppmV\",1.0291E-21,1.0505E-21,1.0549E-21,1.0488E-21,1.0173E-21,9.7724E-22,9.3585E-22,8.9413E-22,8.6027E-22,8.5445E-22,8.6817E-22,8.8141E-22,9.0237E-22,9.3247E-22,9.5750E-22,9.6989E-22,9.6659E-22,9.6455E-22,9.5785E-22,9.4554E-22,9.7628E-22,1.0001E-21,7.6756E-22,7.6844E-22,8.1954E-22,8.7543E-22,9.0393E-22,8.8117E-22,7.7182E-22,6.4036E-22,4.0706E-22,3.2135E-22,2.6878E-22,2.2622E-22,1.8010E-22,1.5230E-22,9.1786E-23,7.7408E-25,1.0346E-25,1.0195E-25,6.1488E-26,4.0527E-27,9.1608E-30,1.0107E-30\n\"SOAALK\",\"ppmV\",3.2902E-06,3.2927E-06,3.2923E-06,3.2862E-06,3.2731E-06,3.2579E-06,3.2318E-06,3.1995E-06,3.1586E-06,3.1004E-06,3.0298E-06,2.9540E-06,2.8624E-06,2.7787E-06,2.6807E-06,2.5322E-06,2.3802E-06,2.2331E-06,2.0941E-06,1.8898E-06,1.7153E-06,1.5687E-06,1.4614E-06,1.3605E-06,1.2615E-06,1.1535E-06,1.0381E-06,9.1650E-07,7.9913E-07,6.7184E-07,5.2908E-07,4.1095E-07,3.2078E-07,2.6131E-07,2.1400E-07,1.5492E-07,9.1077E-08,3.5906E-08,1.0296E-08,2.1715E-09,6.4111E-10,2.5073E-10,6.2314E-11,1.0491E-11\n\"H2NO3PIJ\",\"ppmV\",3.2214E-20,3.2302E-20,3.3507E-20,3.5500E-20,3.6431E-20,3.6904E-20,3.6714E-20,3.5586E-20,3.3849E-20,3.1495E-20,2.9055E-20,2.6019E-20,2.3079E-20,1.9330E-20,1.5957E-20,1.3493E-20,1.1570E-20,8.7498E-21,7.3467E-21,6.7669E-21,6.5215E-21,5.7920E-21,5.2269E-21,4.9839E-21,4.8351E-21,5.2875E-21,5.7034E-21,5.7684E-21,5.9676E-21,5.9546E-21,5.4420E-21,4.6943E-21,4.2766E-21,4.4008E-21,5.1828E-21,6.1186E-21,7.5749E-21,8.4282E-21,6.5585E-21,3.5641E-21,1.2524E-21,7.1552E-22,4.4812E-22,2.7026E-22\n\"H2NO3PK\",\"ppmV\",2.3949E-20,2.4131E-20,2.4846E-20,2.5952E-20,2.6507E-20,2.6779E-20,2.6681E-20,2.6021E-20,2.5108E-20,2.3609E-20,2.2026E-20,2.0007E-20,1.7786E-20,1.4716E-20,1.1615E-20,9.3227E-21,7.4031E-21,5.6597E-21,4.3658E-21,3.6611E-21,3.4015E-21,3.2264E-21,3.1878E-21,3.2211E-21,3.2343E-21,3.2205E-21,3.2063E-21,3.2207E-21,3.1974E-21,3.0606E-21,2.7590E-21,2.3600E-21,2.1802E-21,2.2215E-21,2.3795E-21,2.5630E-21,2.5929E-21,2.3184E-21,1.7921E-21,1.1906E-21,7.3125E-22,5.3589E-22,3.0995E-22,1.6079E-22\n\"VLVPO1\",\"ppmV\",2.7955E-07,2.7459E-07,2.6892E-07,2.6229E-07,2.5480E-07,2.4638E-07,2.3701E-07,2.2764E-07,2.1712E-07,2.0496E-07,1.9199E-07,1.7799E-07,1.6454E-07,1.5078E-07,1.3685E-07,1.2617E-07,1.2008E-07,1.1646E-07,1.0941E-07,9.8521E-08,8.4277E-08,6.9052E-08,5.5626E-08,4.3102E-08,3.2014E-08,2.2979E-08,1.5618E-08,9.8896E-09,5.7276E-09,3.0475E-09,1.4824E-09,6.5735E-10,2.6702E-10,1.0084E-10,3.7649E-11,1.5864E-11,8.6204E-12,5.5502E-12,3.6942E-12,2.4169E-12,1.5758E-12,1.2217E-12,1.2904E-12,2.1679E-12\n\"VSVPO1\",\"ppmV\",1.2367E-07,1.2534E-07,1.2533E-07,1.2437E-07,1.2276E-07,1.2056E-07,1.1769E-07,1.1430E-07,1.1072E-07,1.0605E-07,1.0145E-07,9.6525E-08,9.1134E-08,8.6646E-08,8.3962E-08,8.4156E-08,8.7618E-08,9.2388E-08,9.5026E-08,9.2721E-08,8.3785E-08,7.2349E-08,6.1564E-08,5.2963E-08,4.4686E-08,3.6185E-08,2.8072E-08,2.0257E-08,1.3849E-08,8.9516E-09,5.2835E-09,2.8196E-09,1.3735E-09,6.3929E-10,3.0394E-10,1.6432E-10,1.0651E-10,7.6755E-11,5.6105E-11,4.0281E-11,2.8753E-11,2.3911E-11,2.5923E-11,4.2383E-11\n\"VSVPO2\",\"ppmV\",5.6335E-08,5.9299E-08,6.0694E-08,6.0981E-08,6.0515E-08,5.9500E-08,5.7580E-08,5.4709E-08,5.1183E-08,4.6039E-08,4.1504E-08,3.6731E-08,3.1642E-08,2.7448E-08,2.4564E-08,2.2391E-08,2.2133E-08,2.1783E-08,2.3876E-08,2.4735E-08,2.5719E-08,2.7509E-08,2.8735E-08,3.0320E-08,3.1613E-08,3.1750E-08,3.0364E-08,2.6320E-08,2.1248E-08,1.6875E-08,1.2895E-08,8.7602E-09,5.4861E-09,3.4693E-09,2.3197E-09,1.6844E-09,1.3274E-09,1.0763E-09,8.4084E-10,6.2011E-10,4.4049E-10,3.3584E-10,3.1126E-10,4.3337E-10\n\"VSVPO3\",\"ppmV\",4.7055E-08,4.9941E-08,5.1304E-08,5.1455E-08,5.0794E-08,4.9661E-08,4.7603E-08,4.4565E-08,4.0809E-08,3.5263E-08,3.0639E-08,2.5902E-08,2.0850E-08,1.6487E-08,1.2990E-08,9.9280E-09,7.3907E-09,5.3751E-09,4.0517E-09,2.9879E-09,2.4000E-09,2.1093E-09,1.7883E-09,1.6747E-09,1.6830E-09,1.7728E-09,1.9425E-09,2.2029E-09,2.4028E-09,2.5062E-09,2.5161E-09,2.3831E-09,2.1281E-09,1.8614E-09,1.6502E-09,1.4452E-09,1.2499E-09,1.0501E-09,7.5075E-10,4.6197E-10,2.7494E-10,1.6689E-10,8.9911E-11,5.1560E-11\n\"VIVPO1\",\"ppmV\",1.1971E-07,1.2712E-07,1.3060E-07,1.3093E-07,1.2913E-07,1.2613E-07,1.2075E-07,1.1281E-07,1.0300E-07,8.8524E-08,7.6548E-08,6.4336E-08,5.1345E-08,4.0157E-08,3.1187E-08,2.3309E-08,1.6579E-08,1.1237E-08,7.6670E-09,4.9486E-09,3.5677E-09,2.8144E-09,1.7742E-09,1.3801E-09,1.2816E-09,1.2381E-09,1.2299E-09,1.2426E-09,1.2786E-09,1.3129E-09,1.2832E-09,1.2156E-09,1.1081E-09,1.0755E-09,1.0121E-09,7.9901E-10,6.0746E-10,4.4719E-10,2.3661E-10,8.7199E-11,3.1574E-11,1.2463E-11,2.7118E-12,2.8443E-13\n\"VLVOO1\",\"ppmV\",1.5069E-07,1.4599E-07,1.4135E-07,1.3634E-07,1.3091E-07,1.2492E-07,1.1843E-07,1.1150E-07,1.0403E-07,9.6136E-08,8.8130E-08,7.9968E-08,7.1840E-08,6.3883E-08,5.6413E-08,5.0539E-08,4.5756E-08,4.1372E-08,3.7022E-08,3.2158E-08,2.5976E-08,1.9739E-08,1.4098E-08,9.4759E-09,5.9634E-09,3.5977E-09,2.0997E-09,1.1725E-09,6.1800E-10,2.9943E-10,1.3217E-10,5.3279E-11,1.9475E-11,6.4347E-12,1.9529E-12,6.1486E-13,2.5708E-13,1.3974E-13,8.4263E-14,5.0222E-14,2.8937E-14,1.5022E-14,1.4670E-14,3.9369E-14\n\"VLVOO2\",\"ppmV\",1.6734E-07,1.6541E-07,1.6266E-07,1.5938E-07,1.5570E-07,1.5144E-07,1.4668E-07,1.4190E-07,1.3635E-07,1.2995E-07,1.2305E-07,1.1543E-07,1.0819E-07,1.0021E-07,9.1506E-08,8.4633E-08,8.0068E-08,7.6653E-08,7.1480E-08,6.3778E-08,5.3725E-08,4.3290E-08,3.3933E-08,2.5491E-08,1.8319E-08,1.2831E-08,8.5771E-09,5.4230E-09,3.1818E-09,1.7155E-09,8.4384E-10,3.7860E-10,1.5454E-10,5.8189E-11,2.0999E-11,8.2493E-12,4.2151E-12,2.6472E-12,1.7664E-12,1.1700E-12,7.7636E-13,6.0708E-13,6.4542E-13,1.0914E-12\n\"VSVOO1\",\"ppmV\",8.1698E-09,8.3944E-09,8.4778E-09,8.5238E-09,8.5703E-09,8.5952E-09,8.6074E-09,8.6194E-09,8.5729E-09,8.4733E-09,8.3269E-09,8.0902E-09,7.7953E-09,7.3198E-09,6.7923E-09,6.3620E-09,6.0613E-09,5.8005E-09,5.4223E-09,4.8747E-09,4.1473E-09,3.3928E-09,2.6384E-09,1.9856E-09,1.4470E-09,1.0280E-09,7.1506E-10,4.8382E-10,3.1764E-10,2.0269E-10,1.2352E-10,7.0534E-11,3.6831E-11,1.7630E-11,7.7682E-12,3.3566E-12,1.6507E-12,9.7324E-13,6.4727E-13,4.5635E-13,3.2885E-13,2.7032E-13,2.9452E-13,4.9153E-13\n\"VSVOO2\",\"ppmV\",2.5130E-08,2.6233E-08,2.6750E-08,2.7123E-08,2.7494E-08,2.7798E-08,2.8079E-08,2.8352E-08,2.8425E-08,2.8282E-08,2.7910E-08,2.7167E-08,2.6113E-08,2.4387E-08,2.2509E-08,2.0988E-08,1.9862E-08,1.8841E-08,1.7455E-08,1.5533E-08,1.3120E-08,1.0668E-08,8.1997E-09,6.1369E-09,4.5066E-09,3.2623E-09,2.3510E-09,1.6609E-09,1.1505E-09,7.9071E-10,5.4426E-10,3.7203E-10,2.5493E-10,1.7366E-10,1.1459E-10,7.2703E-11,4.6561E-11,3.2299E-11,2.3664E-11,1.8376E-11,1.4295E-11,1.1541E-11,1.1556E-11,1.7027E-11\n\"VSVOO3\",\"ppmV\",4.1746E-08,4.3688E-08,4.4622E-08,4.5314E-08,4.6007E-08,4.6600E-08,4.7175E-08,4.7770E-08,4.8011E-08,4.7875E-08,4.7335E-08,4.6183E-08,4.4537E-08,4.1711E-08,3.8558E-08,3.6035E-08,3.4169E-08,3.2495E-08,3.0124E-08,2.6757E-08,2.2602E-08,1.8367E-08,1.4104E-08,1.0525E-08,7.6546E-09,5.4877E-09,3.8946E-09,2.7178E-09,1.8964E-09,1.3388E-09,9.7168E-10,7.2623E-10,5.4705E-10,4.1172E-10,3.0211E-10,2.0931E-10,1.2633E-10,6.8487E-11,3.8847E-11,2.8151E-11,2.5152E-11,2.0025E-11,1.2591E-11,8.1505E-12\n\"PCVOC\",\"ppmV\",4.9809E-15,5.2824E-15,5.3892E-15,5.4491E-15,5.4907E-15,5.5230E-15,5.5512E-15,5.5783E-15,5.6060E-15,5.6358E-15,5.6692E-15,5.7098E-15,5.7597E-15,5.8344E-15,5.9542E-15,6.1542E-15,6.5551E-15,7.0948E-15,7.8255E-15,8.5945E-15,9.0104E-15,9.2048E-15,9.6979E-15,1.0158E-14,1.0744E-14,1.1224E-14,1.1675E-14,1.2132E-14,1.2885E-14,1.3159E-14,1.3940E-14,1.4285E-14,1.3911E-14,1.2792E-14,1.0844E-14,9.3133E-15,8.1628E-15,7.9231E-15,7.4709E-15,6.1903E-15,3.6407E-15,1.7913E-15,7.1677E-16,3.3191E-16\n\"HCHO_PRIMARY\",\"ppmV\",2.5012E-10,2.6717E-10,2.7332E-10,2.7687E-10,2.7977E-10,2.8206E-10,2.8434E-10,2.8667E-10,2.8911E-10,2.9243E-10,2.9694E-10,3.0568E-10,3.2161E-10,3.3363E-10,3.3087E-10,2.9404E-10,2.8284E-10,2.5577E-10,2.1545E-10,1.9225E-10,1.6368E-10,1.6817E-10,1.4965E-10,1.2709E-10,1.0416E-10,8.0847E-11,6.6566E-11,6.4618E-11,6.6754E-11,7.0054E-11,7.2839E-11,7.2792E-11,6.1865E-11,4.5036E-11,3.1081E-11,2.4660E-11,1.4797E-11,2.9602E-12,4.4945E-13,4.2856E-14,1.7850E-15,6.0964E-17,1.7957E-18,8.3286E-20\n\"CCHO_PRIMARY\",\"ppmV\",2.3893E-08,2.4849E-08,2.5181E-08,2.5365E-08,2.5499E-08,2.5602E-08,2.5700E-08,2.5799E-08,2.5908E-08,2.6068E-08,2.6245E-08,2.6463E-08,2.6810E-08,2.7395E-08,2.8164E-08,2.8614E-08,2.9713E-08,3.0117E-08,3.0398E-08,2.8338E-08,2.6521E-08,2.4351E-08,2.2033E-08,1.8824E-08,1.5931E-08,1.3898E-08,1.2790E-08,1.2199E-08,1.1966E-08,1.1769E-08,1.0900E-08,9.4036E-09,7.3057E-09,6.5700E-09,6.9276E-09,5.5587E-09,2.9329E-09,7.9726E-10,1.5177E-10,1.4108E-11,1.1424E-12,1.5084E-13,2.7598E-14,2.6340E-15\n\"BUTADIENE13\",\"ppmV\",2.5111E-12,2.5137E-12,2.5150E-12,2.5160E-12,2.5166E-12,2.5172E-12,2.5155E-12,2.5142E-12,2.5094E-12,2.5063E-12,2.4977E-12,2.4856E-12,2.4740E-12,2.4601E-12,2.4391E-12,2.3995E-12,2.3210E-12,2.2714E-12,2.3117E-12,2.4808E-12,2.1966E-12,1.6446E-12,1.2773E-12,1.1325E-12,1.0548E-12,8.2465E-13,5.4577E-13,3.7846E-13,2.7977E-13,2.0334E-13,8.4821E-14,2.9176E-14,2.0918E-14,3.4013E-14,4.1583E-14,4.6071E-14,2.1185E-14,1.9374E-15,5.5738E-17,2.7811E-18,2.5383E-19,2.3717E-20,2.0785E-21,2.0317E-22\n\"ACROLEIN\",\"ppmV\",2.4148E-10,2.4720E-10,2.4935E-10,2.5060E-10,2.5162E-10,2.5245E-10,2.5307E-10,2.5392E-10,2.5466E-10,2.5575E-10,2.5747E-10,2.6114E-10,2.6836E-10,2.7051E-10,2.6836E-10,2.5378E-10,2.4414E-10,2.3186E-10,2.1428E-10,1.9860E-10,1.8256E-10,1.6221E-10,1.4876E-10,1.4142E-10,1.3317E-10,1.1689E-10,1.0011E-10,8.7193E-11,7.9313E-11,7.4571E-11,6.9720E-11,5.1645E-11,2.9515E-11,1.7369E-11,1.0350E-11,7.8364E-12,4.6182E-12,1.6456E-12,3.8900E-13,8.7551E-14,1.8023E-14,2.3809E-15,2.5981E-16,3.5263E-17\n\"ACRO_PRIMARY\",\"ppmV\",7.7055E-11,7.8894E-11,7.9588E-11,7.9992E-11,8.0320E-11,8.0588E-11,8.0786E-11,8.1061E-11,8.1293E-11,8.1638E-11,8.2166E-11,8.3334E-11,8.5648E-11,8.6353E-11,8.5708E-11,8.1054E-11,7.8490E-11,7.5032E-11,6.9540E-11,6.4665E-11,5.9293E-11,5.2833E-11,4.8792E-11,4.6659E-11,4.4117E-11,3.9043E-11,3.3641E-11,2.9203E-11,2.6380E-11,2.4718E-11,2.3478E-11,1.7964E-11,1.0200E-11,5.7855E-12,3.2005E-12,2.2150E-12,1.2472E-12,4.3914E-13,1.1129E-13,2.7957E-14,6.0052E-15,8.2158E-16,8.8303E-17,1.1434E-17\n\"TOLUENE\",\"ppmV\",4.0613E-20,4.0370E-20,4.0345E-20,4.0307E-20,4.0116E-20,3.9815E-20,3.9572E-20,3.9462E-20,3.9282E-20,3.9078E-20,3.9080E-20,3.9154E-20,3.9347E-20,3.9521E-20,3.9472E-20,3.9176E-20,3.8542E-20,3.7610E-20,3.6460E-20,3.5073E-20,3.3990E-20,3.3285E-20,3.1041E-20,3.0175E-20,3.0385E-20,3.0854E-20,3.1246E-20,3.1134E-20,3.0530E-20,2.9781E-20,2.8752E-20,2.7842E-20,2.6836E-20,2.5305E-20,2.2734E-20,1.8803E-20,1.3727E-20,7.1274E-21,2.3971E-21,2.9333E-22,3.2142E-23,8.7278E-24,2.7838E-24,1.3401E-24\n\"SVAVB1\",\"ppmV\",1.3030E-07,1.3052E-07,1.3034E-07,1.3003E-07,1.2970E-07,1.2922E-07,1.2870E-07,1.2808E-07,1.2738E-07,1.2671E-07,1.2610E-07,1.2538E-07,1.2454E-07,1.2376E-07,1.2286E-07,1.2214E-07,1.2148E-07,1.2071E-07,1.1991E-07,1.1933E-07,1.1827E-07,1.1693E-07,1.1537E-07,1.1322E-07,1.1061E-07,1.0719E-07,1.0242E-07,9.7780E-08,9.2701E-08,8.6392E-08,7.9820E-08,7.2757E-08,6.5499E-08,5.7488E-08,4.9446E-08,4.1159E-08,3.2789E-08,2.6179E-08,2.2139E-08,2.0516E-08,2.0727E-08,2.3493E-08,2.8570E-08,3.9647E-08\n\"SVAVB2\",\"ppmV\",3.4320E-08,3.5834E-08,3.6530E-08,3.7039E-08,3.7483E-08,3.7820E-08,3.8074E-08,3.8238E-08,3.8305E-08,3.8293E-08,3.8199E-08,3.7987E-08,3.7851E-08,3.7707E-08,3.7905E-08,3.8720E-08,4.0124E-08,4.1793E-08,4.2659E-08,4.3370E-08,4.3423E-08,4.3355E-08,4.3577E-08,4.3630E-08,4.3559E-08,4.3393E-08,4.2843E-08,4.3115E-08,4.4130E-08,4.5072E-08,4.6308E-08,4.7181E-08,4.6817E-08,4.6614E-08,4.7098E-08,4.6830E-08,4.4028E-08,3.7423E-08,2.5344E-08,1.1768E-08,4.6880E-09,1.9022E-09,8.4091E-10,6.5236E-10\n\"SVAVB3\",\"ppmV\",2.1844E-07,2.2951E-07,2.3462E-07,2.3846E-07,2.4223E-07,2.4578E-07,2.4959E-07,2.5420E-07,2.5921E-07,2.6503E-07,2.7248E-07,2.8124E-07,2.9403E-07,3.0981E-07,3.3512E-07,3.7233E-07,4.3026E-07,4.8682E-07,5.3076E-07,5.6040E-07,5.7093E-07,5.6729E-07,5.6725E-07,5.6606E-07,5.6247E-07,5.5401E-07,5.4685E-07,5.4543E-07,5.5034E-07,5.5706E-07,5.5893E-07,5.4909E-07,5.2450E-07,4.9871E-07,4.7445E-07,4.4586E-07,4.0508E-07,3.4976E-07,2.5770E-07,1.4428E-07,7.9035E-08,4.5718E-08,2.7208E-08,2.2529E-08\n\"SVAVB4\",\"ppmV\",1.0475E-06,1.1037E-06,1.1324E-06,1.1557E-06,1.1806E-06,1.2091E-06,1.2447E-06,1.2948E-06,1.3455E-06,1.4007E-06,1.4696E-06,1.5499E-06,1.6654E-06,1.8088E-06,2.0116E-06,2.2631E-06,2.6666E-06,3.0403E-06,3.3613E-06,3.5723E-06,3.6682E-06,3.6379E-06,3.6383E-06,3.6575E-06,3.6488E-06,3.6234E-06,3.6278E-06,3.6482E-06,3.6997E-06,3.7581E-06,3.7871E-06,3.7604E-06,3.6580E-06,3.5706E-06,3.5392E-06,3.5510E-06,3.6378E-06,3.7608E-06,3.6835E-06,3.3092E-06,2.9019E-06,2.5946E-06,2.2940E-06,2.1393E-06\n\"ASO4J\",\"ug m-3\",1.1382E+00,1.1327E+00,1.1287E+00,1.1242E+00,1.1190E+00,1.1120E+00,1.1033E+00,1.0912E+00,1.0782E+00,1.0585E+00,1.0330E+00,1.0041E+00,9.7205E-01,9.2947E-01,8.8373E-01,8.3808E-01,8.0560E-01,7.7749E-01,7.4420E-01,7.0397E-01,6.6340E-01,6.1484E-01,5.5662E-01,5.1088E-01,4.7249E-01,4.3772E-01,4.0770E-01,3.7737E-01,3.5330E-01,3.3039E-01,3.0285E-01,2.6988E-01,2.3432E-01,2.0173E-01,1.7256E-01,1.4670E-01,1.2626E-01,1.0900E-01,9.3371E-02,7.8086E-02,6.4168E-02,5.3016E-02,4.1057E-02,2.9179E-02\n\"ASO4I\",\"ug 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m-3\",2.2434E-04,2.3768E-04,2.4637E-04,2.5525E-04,2.6544E-04,2.8152E-04,3.0579E-04,3.4604E-04,3.8814E-04,4.2581E-04,4.6903E-04,5.2109E-04,6.1926E-04,7.6878E-04,9.9419E-04,1.2130E-03,1.7687E-03,2.4356E-03,2.5265E-03,2.3999E-03,1.9821E-03,1.4531E-03,1.4198E-03,1.4920E-03,1.5759E-03,1.6895E-03,1.8924E-03,2.0871E-03,2.2862E-03,2.4364E-03,2.5413E-03,2.5772E-03,2.5100E-03,2.4153E-03,2.3062E-03,2.1962E-03,2.1070E-03,2.0426E-03,1.9156E-03,1.6222E-03,1.2564E-03,9.4086E-04,6.5513E-04,4.3252E-04\n\"AMT5J\",\"ug 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m-3\",4.1847E-06,4.4415E-06,4.5938E-06,4.7447E-06,4.9147E-06,5.2162E-06,5.7272E-06,6.6616E-06,7.5751E-06,8.3412E-06,9.2290E-06,1.0216E-05,1.2101E-05,1.5183E-05,2.0180E-05,2.4871E-05,4.1332E-05,6.4559E-05,6.5779E-05,6.1321E-05,4.6574E-05,2.6524E-05,2.6423E-05,2.8449E-05,3.0363E-05,3.3080E-05,3.9898E-05,4.9268E-05,6.1125E-05,7.3679E-05,9.0907E-05,1.1973E-04,1.6255E-04,2.0391E-04,2.4709E-04,2.9745E-04,3.5015E-04,3.5865E-04,3.3565E-04,2.7677E-04,2.0213E-04,1.3689E-04,7.4042E-05,2.9350E-05\n\"NH3\",\"ppmV\",6.3263E-05,6.6580E-05,6.8574E-05,7.0703E-05,7.3038E-05,7.6230E-05,8.0828E-05,8.7571E-05,9.4572E-05,1.0086E-04,1.0390E-04,1.1232E-04,1.2387E-04,1.3873E-04,1.5841E-04,1.7360E-04,1.7863E-04,1.8452E-04,1.8097E-04,1.8334E-04,1.7686E-04,1.7454E-04,1.7335E-04,1.7198E-04,1.7212E-04,1.7178E-04,1.6850E-04,1.6090E-04,1.5128E-04,1.5115E-04,1.5462E-04,1.5421E-04,1.4792E-04,1.2817E-04,1.0395E-04,8.0931E-05,5.9276E-05,3.5743E-05,1.6509E-05,4.2976E-06,1.8763E-06,3.6471E-06,3.0765E-06,2.4276E-06\n\"SVISO1\",\"ppmV\",1.2016E-06,1.2560E-06,1.2819E-06,1.3031E-06,1.3281E-06,1.3583E-06,1.4027E-06,1.4751E-06,1.5501E-06,1.6444E-06,1.7842E-06,1.9861E-06,2.3630E-06,2.8100E-06,3.2225E-06,3.6073E-06,4.1782E-06,4.6644E-06,4.9148E-06,5.0160E-06,4.9570E-06,4.6989E-06,4.6166E-06,4.6299E-06,4.6166E-06,4.5820E-06,4.6430E-06,4.6546E-06,4.7034E-06,4.6979E-06,4.6088E-06,4.4071E-06,4.0559E-06,3.7230E-06,3.3679E-06,2.8757E-06,2.2839E-06,1.6765E-06,9.9237E-07,3.8356E-07,1.2052E-07,4.1587E-08,1.6035E-08,1.0905E-08\n\"SVISO2\",\"ppmV\",1.2549E-09,1.2985E-09,1.3167E-09,1.3288E-09,1.3386E-09,1.3462E-09,1.3586E-09,1.3723E-09,1.3846E-09,1.4100E-09,1.4551E-09,1.5724E-09,1.8248E-09,2.0124E-09,2.1213E-09,2.1094E-09,2.0198E-09,1.9077E-09,1.8872E-09,1.9506E-09,1.9940E-09,1.9882E-09,1.8858E-09,1.9489E-09,1.9836E-09,2.0837E-09,2.1980E-09,2.2817E-09,2.2476E-09,2.1767E-09,2.1109E-09,1.9697E-09,1.7720E-09,1.5459E-09,1.2636E-09,8.8227E-10,5.0756E-10,2.4008E-10,9.9037E-11,2.7708E-11,4.5496E-12,6.7860E-13,1.0581E-13,2.0166E-14\n\"SVSQT\",\"ppmV\",6.8254E-08,7.1065E-08,7.2346E-08,7.3351E-08,7.4543E-08,7.5872E-08,7.8027E-08,8.1569E-08,8.5277E-08,9.0604E-08,9.8994E-08,1.1162E-07,1.3082E-07,1.5135E-07,1.6978E-07,1.8405E-07,2.0417E-07,2.2090E-07,2.3008E-07,2.2823E-07,2.2136E-07,2.1034E-07,1.9724E-07,1.9489E-07,1.9331E-07,1.9102E-07,1.9310E-07,1.9066E-07,1.8391E-07,1.7371E-07,1.6337E-07,1.5030E-07,1.3288E-07,1.1671E-07,1.0045E-07,7.9075E-08,5.2376E-08,2.7605E-08,1.0541E-08,2.5259E-09,4.2353E-10,6.8631E-11,1.4371E-11,5.7109E-12\n\"LVPCSOG\",\"ppmV\",4.3898E-12,4.2678E-12,4.1860E-12,4.1094E-12,4.0289E-12,3.9434E-12,3.8487E-12,3.7458E-12,3.6286E-12,3.5035E-12,3.3669E-12,3.2223E-12,3.0604E-12,2.9039E-12,2.7549E-12,2.6216E-12,2.5114E-12,2.4102E-12,2.3278E-12,2.2697E-12,2.1758E-12,2.0803E-12,1.9798E-12,1.8483E-12,1.7078E-12,1.5754E-12,1.4650E-12,1.3548E-12,1.2324E-12,1.1227E-12,1.0307E-12,9.8832E-13,1.0302E-12,1.1657E-12,1.4332E-12,1.8659E-12,2.4589E-12,3.1130E-12,3.7597E-12,4.4119E-12,5.1149E-12,6.1600E-12,8.3718E-12,1.3062E-11\n\"SVMT1\",\"ppmV\",4.9814E-09,4.8163E-09,4.6573E-09,4.4864E-09,4.3002E-09,4.0991E-09,3.8840E-09,3.6578E-09,3.4141E-09,3.1610E-09,2.9116E-09,2.6790E-09,2.4516E-09,2.2114E-09,1.9743E-09,1.7745E-09,1.6145E-09,1.4887E-09,1.3829E-09,1.2432E-09,1.0268E-09,8.0390E-10,5.9161E-10,4.1952E-10,2.8538E-10,1.8557E-10,1.1546E-10,6.8528E-11,3.8280E-11,1.9817E-11,9.3811E-12,4.0556E-12,1.5904E-12,5.8078E-13,1.9773E-13,6.9597E-14,2.9913E-14,1.5995E-14,9.6987E-15,6.1497E-15,3.2909E-15,1.6518E-15,1.6809E-15,3.9178E-15\n\"SVMT2\",\"ppmV\",5.2970E-08,5.2188E-08,5.1162E-08,4.9970E-08,4.8633E-08,4.7152E-08,4.5561E-08,4.3859E-08,4.1928E-08,3.9902E-08,3.8004E-08,3.6542E-08,3.5497E-08,3.3935E-08,3.1892E-08,2.9886E-08,2.8215E-08,2.6977E-08,2.5829E-08,2.3839E-08,2.0376E-08,1.6625E-08,1.2922E-08,9.7237E-09,7.0715E-09,4.9043E-09,3.2721E-09,2.0892E-09,1.2578E-09,7.0875E-10,3.6987E-10,1.7812E-10,7.8673E-11,3.2567E-11,1.2669E-11,5.0353E-12,2.4080E-12,1.4265E-12,9.3142E-13,6.2605E-13,4.1562E-13,3.1616E-13,3.2756E-13,5.4590E-13\n\"SVMT3\",\"ppmV\",1.1953E-07,1.2146E-07,1.2162E-07,1.2131E-07,1.2094E-07,1.2057E-07,1.2049E-07,1.2112E-07,1.2116E-07,1.2127E-07,1.2249E-07,1.2686E-07,1.3723E-07,1.4626E-07,1.5062E-07,1.5294E-07,1.5581E-07,1.5870E-07,1.6086E-07,1.5490E-07,1.3899E-07,1.2041E-07,1.0138E-07,8.4621E-08,6.9144E-08,5.4070E-08,4.1051E-08,2.9746E-08,2.0274E-08,1.2952E-08,7.7199E-09,4.2562E-09,2.1663E-09,1.0341E-09,4.7218E-10,2.2133E-10,1.1818E-10,7.4981E-11,5.2146E-11,3.7527E-11,2.6792E-11,2.1672E-11,2.3123E-11,3.7852E-11\n\"SVMT4\",\"ppmV\",3.5981E-07,3.7339E-07,3.7909E-07,3.8332E-07,3.8817E-07,3.9417E-07,4.0327E-07,4.1913E-07,4.3526E-07,4.5299E-07,4.7751E-07,5.1643E-07,5.9371E-07,6.8351E-07,7.6208E-07,8.2222E-07,9.1629E-07,1.0005E-06,1.0590E-06,1.0561E-06,9.6548E-07,8.5523E-07,7.6717E-07,7.1014E-07,6.5519E-07,5.9582E-07,5.4112E-07,4.7342E-07,4.0027E-07,3.2292E-07,2.4581E-07,1.7347E-07,1.1245E-07,6.9264E-08,4.0671E-08,2.3949E-08,1.5046E-08,1.0640E-08,8.1057E-09,6.3616E-09,4.9421E-09,4.2649E-09,4.6865E-09,7.4640E-09\n\"SVMT5\",\"ppmV\",4.8227E-07,5.0297E-07,5.1222E-07,5.1948E-07,5.2782E-07,5.3843E-07,5.5437E-07,5.8130E-07,6.0940E-07,6.4042E-07,6.8234E-07,7.4601E-07,8.7030E-07,1.0218E-06,1.1708E-06,1.2891E-06,1.5222E-06,1.7583E-06,1.8623E-06,1.8643E-06,1.7015E-06,1.4399E-06,1.3353E-06,1.2917E-06,1.2562E-06,1.2263E-06,1.2227E-06,1.2004E-06,1.1681E-06,1.1188E-06,1.0537E-06,9.5839E-07,8.3844E-07,7.2962E-07,6.2509E-07,5.2627E-07,4.4195E-07,3.8410E-07,3.4509E-07,3.1134E-07,2.7608E-07,2.6315E-07,2.8366E-07,3.7405E-07\n\"SVMT6\",\"ppmV\",9.6798E-07,1.0100E-06,1.0289E-06,1.0438E-06,1.0609E-06,1.0828E-06,1.1158E-06,1.1717E-06,1.2301E-06,1.2941E-06,1.3803E-06,1.5107E-06,1.7650E-06,2.0760E-06,2.3844E-06,2.6307E-06,3.1260E-06,3.6338E-06,3.8467E-06,3.8512E-06,3.5157E-06,2.9460E-06,2.7421E-06,2.6658E-06,2.6056E-06,2.5634E-06,2.5908E-06,2.5927E-06,2.5953E-06,2.5676E-06,2.5426E-06,2.4993E-06,2.4111E-06,2.3471E-06,2.3118E-06,2.2701E-06,2.2530E-06,2.3049E-06,2.3500E-06,2.2633E-06,2.1018E-06,1.9887E-06,1.8570E-06,1.7707E-06\n" }, { "path": "PREP/bcon/src/profile/legacy_PM_toxics_profile.csv", "content": "#\n#\n# Aerosol toxics species for multipollutant mechanism, extracted from\n# legacy ICON profile\n# Profile Source: Bill Hutzell (hutzell.bill@epa.gov)\n# \n# Vertical layers: 6\n# Meteorological fields:\n# ZF taken from CMAQ science document, page 12-22 (EPA/600/R-99/030)\n# ZH calculated from ZF\n# Chemical mechanism: Multipollutant\n# Top level pressure: assumed to be 100mb\n# The vertical sigma levels: 1.00,0.98,0.93,0.84,0.60,0.30,0.00\nVNAME,UNITS,LAYER01,LAYER02,LAYER03,LAYER04,LAYER05,LAYER06\n\"ZF\",\"m\",152.0,544.0,1289.0,3600.0,7621.0,16069.0\n\"ZH\",\"m\",76.0,348.0,916.5,2444.5,5610.5,11845.0\n\"ANIJ\",\"ug m-3\",9.508E-05,8.090E-05,5.332E-05,2.387E-05,5.912E-06,5.912E-06\n\"ACR_IIIJ\",\"ug m-3\",7.500E-06,6.382E-06,4.206E-06,1.883E-06,4.663E-07,4.663E-07\n\"ACR_VIJ\",\"ug m-3\",7.500E-06,6.382E-06,4.206E-06,1.883E-06,4.663E-07,4.663E-07\n\"APBJ\",\"ug m-3\",1.409E-05,1.199E-05,7.899E-06,3.536E-06,8.758E-07,8.758E-07\n\"APBK\",\"ug m-3\",9.390E-06,7.990E-06,5.266E-06,2.357E-06,5.839E-07,5.839E-07\n\"ACDJ\",\"ug m-3\",1.761E-06,1.498E-06,9.874E-07,4.420E-07,1.095E-07,1.095E-07\n\"AMN_HAPSJ\",\"ug m-3\",9.390E-05,7.990E-05,5.266E-05,2.357E-05,5.839E-06,5.839E-06\n\"AMN_HAPSK\",\"ug m-3\",1.409E-04,1.199E-04,7.899E-05,3.536E-05,8.758E-06,8.758E-06\n" }, { "path": "PREP/bcon/src/profile/prof_bcout.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/BCON/src/profile/prof_bcout.F,v 1.2 2011/10/21 16:52:36 yoj Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\n\n SUBROUTINE PROF_BCOUT ( LOGUNIT, PROF_FL_NAME )\n \nC***********************************************************************\n \nC Function: Reads the input profile concentration file and opens and\nC writes the output BC file\n \nC Preconditions: None\n \nC Key Subroutines/Functions Called: OPN_BC_FILE\nC PROF_VINTERP \n \nC Revision History:\nC Prototype created by Jerry Gipson, January, 1998\nC Modified April 1998 by JG to remove ppb option for input profile file\nC 02/25/02 Steve Howard (Jeff Young) - dynamic allocation\nC 01/05/05 J.Young: vert dyn alloc - Use VGRD_DEFN\nC 13 Jul 11 J.Young: Replaced I/O API include files with M3UTILIO and\nC Namelist for species definitions\nC 23 May 12 J.Young: Replaced BC_PARMS include file with an F90 module\nC 19 Sep 18 C.Hogrefe and S.Roselle: Adapted to read new profile format;\nC removed species mapping\n\nC***********************************************************************\n\n USE HGRD_DEFN ! Module to store and load the horizontal grid variables\n USE VGRD_DEFN ! vertical layer specifications\n USE M3UTILIO ! IOAPI module\n USE BC_PARMS ! BCON parameters\n\n IMPLICIT NONE \n\nC Arguments: \n INTEGER LOGUNIT ! Unit number for output log\n CHARACTER( 256 ) :: PROF_FL_NAME ! Input profile file name\n\nC Parameters: none\n\nC Local Variables:\n CHARACTER( 80 ) :: MSG = ' ' ! Log message\n CHARACTER( 16 ) :: PNAME = 'PROF_BCOUT' ! Procedure Name\n CHARACTER( 16 ) :: VNAME ! Species name on CTM conc file\n CHARACTER( 16 ), ALLOCATABLE :: BC_FNAME( : ) ! Logical names of IC Output file(s)\n\n CHARACTER(1000) :: RECORD\n CHARACTER(16), ALLOCATABLE :: VNAME_PROF_TEMP(:)\n CHARACTER(16), ALLOCATABLE :: VUNIT_PROF_TEMP(:)\n CHARACTER(16), ALLOCATABLE :: PROF_SP_NAME( : ) ! Profile species names\n CHARACTER(16), ALLOCATABLE :: UNITS_IN( : ) ! Units for CTM species\n CHARACTER(80), ALLOCATABLE :: VDESC_IN( : ) ! Variable description for CTM species\n\n INTEGER NSPCS_IN ! Total No. of species in input file(s)\n INTEGER NLAYS_IN ! No. of layers in input file\n INTEGER C ! Cell loop index\n INTEGER FLN ! IC output file number\n INTEGER L ! Layer loop index\n INTEGER N ! Loop indices for species\n INTEGER PFILE ! Unit number of profile file \n INTEGER SDATE ! Date for IC Output\n INTEGER STIME ! Time for IC output\n INTEGER TSTEP ! Timestep for IC Output\n\n INTEGER I, K, NVARS, NFIELDS\n INTEGER IOSTATUS\n INTEGER ALLOCSTAT ! Status returned from array allocation\n\n INTEGER, ALLOCATABLE :: VTYPE_IN( : ) ! variable type for CTM species\n\n LOGICAL LNEG ! Flag for negative concentrations\n\n REAL, ALLOCATABLE :: ZH_IN( : ) ! Input layer heights\n REAL, ALLOCATABLE :: COUT( :,: ) ! Output BC conc\n REAL, ALLOCATABLE :: INPROF( :,: ) ! Input conc profiles\n REAL, ALLOCATABLE :: VIPROF( :,:,: ) ! Vertically interp profiles\n\n REAL, ALLOCATABLE :: VAR_PROF_TEMP( :,: )\n \n INTERFACE\n\n SUBROUTINE PROF_VINTERP( LOGUNIT, NSPCS_IN, NLAYS_IN, ZH_IN,\n & CONCIN, CONCOUT )\n INTEGER, INTENT( IN ) :: LOGUNIT\n INTEGER, INTENT( IN ) :: NSPCS_IN\n INTEGER, INTENT( IN ) :: NLAYS_IN\n REAL, INTENT( IN ) :: ZH_IN( : )\n REAL, INTENT( IN ) :: CONCIN( :,: )\n REAL, INTENT( OUT ) :: CONCOUT( :,:,: )\n END SUBROUTINE PROF_VINTERP\n\n SUBROUTINE OPN_BC_FILE ( LOGUNIT, SDATE, STIME, TSTEP, NSPCS_OUT,\n & SPNAME_OUT, VTYPE_OUT, UNITS_OUT,\n & VDESC_OUT, BC_FNAME, RINDX )\n CHARACTER( 16 ), INTENT( OUT ) :: BC_FNAME( : )\n CHARACTER( 16 ), INTENT( IN ) :: SPNAME_OUT( : )\n CHARACTER( 16 ), INTENT( IN ) :: UNITS_OUT( : )\n CHARACTER( 80 ), INTENT( IN ) :: VDESC_OUT( : )\n INTEGER, INTENT( IN ) :: LOGUNIT\n INTEGER, INTENT( IN ) :: NSPCS_OUT\n INTEGER, INTENT( IN ) :: RINDX\n INTEGER, INTENT( IN ) :: SDATE\n INTEGER, INTENT( IN ) :: STIME\n INTEGER, INTENT( IN ) :: TSTEP\n INTEGER, INTENT( IN ) :: VTYPE_OUT( : )\n END SUBROUTINE OPN_BC_FILE\n\n END INTERFACE\n\nC***********************************************************************\n\n IF ( NTHIK .NE. 1 ) THEN\n MSG = 'Only NTHIK = 1 currently allowed'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT2 )\n END IF \n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Read the input profile file data \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n PFILE = JUNIT()\n\n OPEN( UNIT = PFILE, FILE = PROF_FL_NAME, ERR = 999 )\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc read comment lines\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n DO \n READ( PFILE,'(A)',IOSTAT = IOSTATUS ) RECORD\n IF ( IOSTATUS .NE. 0 ) THEN\n MSG = 'Error reading profile file'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT2 ) \n END IF\n IF ( RECORD(1:1) .NE. '#' ) EXIT\n END DO\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc done reading comment lines, now parse column names\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n NFIELDS = 1\n DO I = 1, LEN( RECORD )\n IF ( RECORD(I:I) .EQ. ',' ) NFIELDS = NFIELDS + 1\n END DO\n NLAYS_IN = NFIELDS - 2 ! fields 1 and 2 are name and units\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc allocate arrays\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n ALLOCATE( VAR_PROF_TEMP( MX_INFL_SP, NLAYS_IN ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n MSG = 'Failure allocating VAR_PROF_TEMP'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n ALLOCATE( INPROF( NLAYS_IN, MX_INFL_SP ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n MSG = 'Failure allocating INPROF'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n ALLOCATE( ZH_IN( NLAYS_IN ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n MSG = 'Failure allocating ZH_IN'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n ALLOCATE( VNAME_PROF_TEMP( MX_INFL_SP ),\n & VUNIT_PROF_TEMP( MX_INFL_SP ),\n & PROF_SP_NAME( MX_INFL_SP ),\n & STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n MSG = 'Failure allocating VNAME_PROF_TEMP, VUNIT_PROF_TEMP, PROF_SP_NAME'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n ALLOCATE( UNITS_IN( MX_INFL_SP ),\n & VDESC_IN( MX_INFL_SP ),\n & VTYPE_IN( MX_INFL_SP ),\n & STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n MSG = 'Failure allocating UNITS_IN, VDESC_IN, VTYPE_IN'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n ALLOCATE( BC_FNAME( MXCTMS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n MSG = 'Failure allocating BC_FNAME'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc read data fields\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n NVARS = 1\n DO \n READ( PFILE,*,IOSTAT = IOSTATUS )\n & VNAME_PROF_TEMP( NVARS ),\n & VUNIT_PROF_TEMP( NVARS ),\n & ( VAR_PROF_TEMP( NVARS,K ), K=1,NLAYS_IN )\n\n IF ( IOSTATUS .NE. 0 ) THEN\n IF ( NVARS .EQ. 1 ) THEN ! error in first data line\n MSG = 'Error: no species data in profile file'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT2 ) \n ELSE\n EXIT\n END IF\n END IF\n NVARS = NVARS + 1\n END DO\n NVARS = NVARS - 1\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc load data into species arrays\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n NSPCS_IN = 0\n INPROF = 0.0\n DO N = 1, NVARS\n IF ( N .EQ. INDEX1( 'PRES', NVARS, VNAME_PROF_TEMP ) ) THEN\n \t CYCLE\n ELSE IF ( N .EQ. INDEX1( 'ZH', NVARS, VNAME_PROF_TEMP ) ) THEN\n DO L = 1, NLAYS_IN\n ZH_IN( L ) = VAR_PROF_TEMP( N,L )\n END DO\n ELSE IF ( N .EQ. INDEX1( 'ZF', NVARS, VNAME_PROF_TEMP ) ) THEN\n \t CYCLE\n ELSE IF ( N .EQ. INDEX1( 'WVEL', NVARS, VNAME_PROF_TEMP ) ) THEN\n \t CYCLE\n ELSE\n NSPCS_IN = NSPCS_IN + 1\n PROF_SP_NAME( NSPCS_IN ) = VNAME_PROF_TEMP( N )\n UNITS_IN( NSPCS_IN ) = VUNIT_PROF_TEMP( N )\n VTYPE_IN( NSPCS_IN ) = M3REAL\n VDESC_IN( NSPCS_IN ) = VNAME_PROF_TEMP( N )\n DO L = 1, NLAYS_IN\n INPROF( L,NSPCS_IN ) = VAR_PROF_TEMP( N,L )\n END DO\n END IF\n END DO\n \n ALLOCATE( VIPROF( NBNDY, NLAYS, NSPCS_IN ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n MSG = 'Failure allocating VIPROF'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc vertical interpolation\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n CALL PROF_VINTERP( LOGUNIT, NSPCS_IN, NLAYS_IN, ZH_IN, INPROF, VIPROF )\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Open BC output file\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n SDATE = 0\n STIME = 0\n TSTEP = 0\n CALL OPN_BC_FILE( LOGUNIT, SDATE, STIME, TSTEP, NSPCS_IN, \n & PROF_SP_NAME, VTYPE_IN, UNITS_IN, VDESC_IN,\n & BC_FNAME, 1 ) \n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Write the output BC concentrations\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n ALLOCATE( COUT( NBNDY, NLAYS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n MSG = 'Failure allocating COUT'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n LNEG = .FALSE.\n\n DO N = 1, NSPCS_IN\n\n FLN = ( N - 1 ) / MXVARS3 + 1\n VNAME = PROF_SP_NAME( N )\n\n DO L = 1, NLAYS\n\n DO C = 1, NBNDY\n COUT( C,L ) = VIPROF( C,L,N )\n END DO \n\n END DO\n\n IF ( .NOT. WRITE3( BC_FNAME( FLN ), VNAME, SDATE, STIME,\n & COUT ) ) THEN\n MSG = 'Could not WRITE species ' // VNAME // \n & 'to file ' // BC_FNAME( FLN ) \n CALL M3EXIT( PNAME, SDATE, STIME, MSG, XSTAT2 )\n END IF\n\n END DO\n\n IF ( LNEG ) THEN\n MSG = 'Negative ICs output'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT2 ) \n END IF\n\n RETURN\n\n999 CONTINUE \n\n MSG = 'Could not open file ' // PROF_FL_NAME\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT2 ) \n\n END\n" }, { "path": "PREP/bcon/src/profile/prof_driver.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/BCON/src/profile/prof_driver.F,v 1.2 2011/10/21 16:52:36 yoj Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\n\n SUBROUTINE PROF_INBNDY( LOGUNIT ) \n\nC***********************************************************************\n \nC Function: Opens the input profile data file, and calls the routine to \nC compute the BCs and write the output BC file \n \nC Preconditions: None\n \nC Key Subroutines/Functions Called: PROF_BCOUT\n \nC Revision History:\nC Prototype created by Jerry Gipson, January, 1998\nC Modified April 1998 by JG to remove ppb option for input profile file\nC 13 Jul 11 J.Young: Replaced I/O API include files with M3UTILIO\nC and Namelist for species definitions\nC 23 May 12 J.Young: Replaced BC_PARMS include file with an F90 module\nC 17 Sep 18 S.Roselle: Removed species mapping\n\nC***********************************************************************\n\n USE M3UTILIO ! IOAPI module\n USE BC_PARMS ! BCON parameters\n\n IMPLICIT NONE \n\nC Arguments: \n INTEGER, INTENT( IN ) :: LOGUNIT ! Unit number for output log\n\nC Parameters: None\n\nC Local Variables:\n CHARACTER( 16 ) :: ENV_DFLT = ' ' ! Environment variable default value\n CHARACTER( 80 ) :: ENV_DESC ! Environment variable description\n CHARACTER( 80 ) :: MSG ! Log message\n CHARACTER( 16 ) :: PNAME = 'PROF_INBNDY' ! Program name\n CHARACTER( 256 ) :: PROF_FL_NAME ! Input profile file name\n CHARACTER( 16 ) :: BC_PROFILE = 'BC_PROFILE' ! Logical name of input profile file\n\n INTEGER STATUS ! Status code\n\n INTERFACE\n\n SUBROUTINE PROF_BCOUT ( LOGUNIT, PROF_FL_NAME )\n INTEGER, INTENT( IN ) :: LOGUNIT\n CHARACTER( 256 ), INTENT( IN ) :: PROF_FL_NAME\n END SUBROUTINE PROF_BCOUT\n\n END INTERFACE\n\nC***********************************************************************\n\n WRITE( LOGUNIT, 92000 )\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Open the input profile file, read the number of species and their \nc names, and list the file on the output log\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n ENV_DESC = 'Input BC Profile file' \n CALL ENVSTR ( BC_PROFILE, ENV_DESC, ENV_DFLT, PROF_FL_NAME, STATUS )\n\n IF ( STATUS .NE. 0 ) THEN\n MSG = 'No BC profile file assigned to BC_PROFILE'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Compute BCs from the input PROFILE and output\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n CALL PROF_BCOUT( LOGUNIT, PROF_FL_NAME )\n\n RETURN\n\nC************************* FORMAT STATEMENTS ***************************\n\n92000 FORMAT( // 1X, 79( '#' ) \n & / 1X, '# Input file section '\n & / 1X, 79( '#' )\n & // 5X, 'Boundary Concentrations from an input BC profile ',\n & 'file.'\n & / 5X, 'BCs do not vary with time.' )\n\n END\n" }, { "path": "PREP/bcon/src/profile/prof_vinterp.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/BCON/src/profile/prof_vinterp.F,v 1.2 2011/10/21 16:52:36 yoj Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\n\n SUBROUTINE PROF_VINTERP ( LOGUNIT, NSPCS_IN, NLAYS_IN, ZH_IN,\n & CONCIN, CONCOUT )\n\nC***********************************************************************\n \nC Function: Interpolates/Extrapolates concentrations in vertical.\nC The number of layers in CONCIN is collapsed or expanded\nC according to the number of layers in COORD.EXT.\nC Interpolation is done using rational function interpolation\nC ( Numerical Recipes, Press et al.) or linear \nC interpolation. When extapolation is required, the \nC concentration of the outside layer is used. If the input \nC file has only one layer, the concentrations in that layer\nC are used for all output layers.\n \nC Preconditions: None\n \nC Key Subroutines/Functions Called: LR_INTERP \nC\nC Revision History:\nC Prototype created by Jerry Gipson, January, 1998 \nC 02/25/02 Steve Howard (Jeff Young) - dynamic allocation\nC 01/05/05 J.Young: vert dyn alloc - Use VGRD_DEFN\nC 13 Jul 11 J.Young: Replaced I/O API include files with M3UTILIO\nC 23 May 12 J.Young: Replaced BC_PARMS include file with an F90 module\nC 21 Sep 19 S.Roselle: Reconfigured to do vertical interpolation to\nC target boundary vertical layer heights (ZH)\nC 30 Nov 18 S.Roselle: To provide spatially uniform BCs, target boundary \nC average mid-layer heights are used for the vertical\nC interpolation\nC 10 June 19 F.Sidi : Commented out INTEGER STATUS unused variable \n \nC***********************************************************************\n\n USE HGRD_DEFN ! Module to store and load the horizontal grid variables\n USE VGRD_DEFN ! vertical layer specifications\n USE M3UTILIO ! IOAPI module\n USE BC_PARMS ! BCON parameters\n\n IMPLICIT NONE \n\nC Arguments: \n INTEGER, INTENT( IN ) :: LOGUNIT ! Unit number for output log\n INTEGER, INTENT( IN ) :: NSPCS_IN ! No. of species in input profile\n INTEGER, INTENT( IN ) :: NLAYS_IN ! No. of layers in input profile\n\n REAL, INTENT( IN ) :: ZH_IN( : ) ! Input layer heights\n REAL, INTENT( IN ) :: CONCIN( :,: ) ! Input conc array\n REAL, INTENT( OUT ) :: CONCOUT( :,:,: ) ! Output BC array\n\nC Parameters: None\n\nC External Functions: None\n\nC Local Variables:\n CHARACTER( 80 ) :: MSG ! Log message\n CHARACTER( 16 ) :: PNAME = 'PROF_VINTERP' ! Procedure Name\n CHARACTER( 16 ) :: VNAME ! Variable Name\n\n INTEGER L ! Loop index for vertical layers\n INTEGER N ! Loop index\n INTEGER C ! Loop index for boundary cells\n! INTEGER STATUS ! Status code\n INTEGER JDATE ! Date for first record on BDY file\n INTEGER JTIME ! Time for first record on BDY file\n INTEGER ALLOCSTAT ! Status returned from array allocation\n\n LOGICAL L_RATINT ! Flag to use rational function interpolation \n\n REAL DELY ! Error estimate for conc interpolated by rational func\n REAL X3 ! Vertical coordinate used in interpolation\n REAL Y ! Interpolated concentration\n\n REAL, ALLOCATABLE :: WORKA( : ) ! Work array for conc input\n REAL, ALLOCATABLE :: X3_OLD( : ) ! Old Vertical coordinate values\n REAL, ALLOCATABLE :: ZH_OUT( :,: ) ! mid-layer heights for target BDY file\n REAL, ALLOCATABLE :: ZH_OUT_AVG( : ) ! avg mid-layer hts for target BDY file\n\n INTERFACE\n\n SUBROUTINE LR_INTERP ( L_RATINT, XA, YA, N, X, Y, DELY )\n LOGICAL, INTENT( IN ) :: L_RATINT\n REAL, INTENT( IN ) :: XA( : )\n REAL, INTENT( IN ) :: YA( : )\n REAL, INTENT( IN ) :: X\n REAL, INTENT( OUT ) :: Y\n REAL, INTENT( OUT ) :: DELY\n INTEGER, INTENT( IN ) :: N\n END SUBROUTINE LR_INTERP\n\n END INTERFACE\n\nC***********************************************************************\n\n ALLOCATE( WORKA( NLAYS_IN ),\n & X3_OLD( NLAYS_IN ),\n & ZH_OUT( NBNDY,NLAYS ),\n & ZH_OUT_AVG( NLAYS ),\n & STAT = ALLOCSTAT )\n\n IF ( ALLOCSTAT .NE. 0 ) THEN\n MSG = 'Failure allocating WORKA, X3_OLD, ZH_OUT, ZH_OUT_AVG'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc open MET_BDY_3D_FIN file\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( .NOT. OPEN3 ( MET_BDY_3D_FIN, FSREAD3, PNAME ) ) THEN\n MSG = 'Could not open ' // MET_BDY_3D_FIN // ' file'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n JDATE = SDATE3D\n JTIME = STIME3D\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Determine type of interpolation to use: linear or rational function\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n L_RATINT = .FALSE.\n MSG = 'Flag for interpolation by rational function'\n! L_RATINT = ENVYN( 'RATIONAL_FUNC', MSG, L_RATINT, STATUS ) \n IF ( .NOT. L_RATINT ) THEN\n MSG = 'Linear vertical interpolation used'\n ELSE\n MSG = 'Vertical interpolation by rational function'\n END IF\n CALL M3MESG( MSG )\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Interpolate by ZH\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\nC Get the layer mid-point heights\n VNAME = 'ZH'\n IF ( .NOT. READ3( MET_BDY_3D_FIN, VNAME, ALLAYS3, JDATE, JTIME,\n & ZH_OUT ) ) THEN\n MSG = 'Could not read layer heights form file ' // MET_BDY_3D_FIN \n CALL M3ERR( PNAME, JDATE, JTIME, MSG, .TRUE. )\n END IF\n\nC Compute domain average layer mid-point heights\n\n ZH_OUT_AVG = 0.0\n DO L = 1, NLAYS\n DO C = 1, NBNDY\n ZH_OUT_AVG( L ) = ZH_OUT_AVG( L ) + ZH_OUT( C,L )\n END DO\n ZH_OUT_AVG( L ) = ZH_OUT_AVG( L ) / NBNDY\n END DO\n\n DO L = 1, NLAYS_IN \n X3_OLD( L ) = ZH_IN( L )\n END DO\n\n CONCOUT = 0.0\n DO N = 1, NSPCS_IN \n\n DO L = 1, NLAYS_IN\n WORKA( L ) = CONCIN( L,N )\n END DO\n\n\n IF ( NLAYS_IN .EQ. 1 ) THEN\n\n DO L = 1, NLAYS\n DO C = 1, NBNDY\n CONCOUT( C,L,N ) = WORKA( 1 )\n END DO\n END DO\n\n ELSE\n\n DO L = 1, NLAYS\n\n X3 = ZH_OUT_AVG( L )\n\n IF ( X3 .LT. X3_OLD( 1 ) ) THEN\n\n DO C = 1, NBNDY\n CONCOUT( C,L,N ) = WORKA( 1 )\n END DO\n\n ELSE IF ( X3 .GT. X3_OLD( NLAYS_IN ) ) THEN\n\n DO C = 1, NBNDY\n CONCOUT( C,L,N ) = WORKA( NLAYS_IN )\n END DO\n\n ELSE\n\n DO C = 1, NBNDY\n CALL LR_INTERP( L_RATINT, X3_OLD, WORKA, NLAYS_IN,\n & X3, Y, DELY )\n CONCOUT( C,L,N ) = Y\n END DO\n\n END IF\n\n END DO \n\n END IF\n\n END DO\n\n RETURN\n\n END\n" }, { "path": "PREP/bcon/src/tracer/trac_bc.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/BCON/src/tracer/trac_bc.F,v 1.2 2011/10/21 16:52:37 yoj Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\n\n SUBROUTINE TRAC_BC ( TRNAME, TCOUT )\n\nC***********************************************************************\n \nC Function: Compute BCs for special tracer tests\n \nC Preconditions: None\n \nC Key Subroutines/Functions Called: \n \nC Revision History:\nC Prototype created by Daewon Byun\nC Modified for implementation in Models-3 ICON by Jerry Gipson, January, 1998\nC 02/25/02 Steve Howard (Jeff Young) - dynamic allocation\nC 20 Jul 11 J.Young: Convert for Namelist redesign\nC 23 May 12 J.Young: Replaced BC_PARMS include file with an F90 module\n \nC***********************************************************************\n\n USE HGRD_DEFN ! Module to store and load the horizontal grid variables\n USE VGRD_DEFN ! vertical layer specifications\n USE M3UTILIO ! IOAPI module\n USE BC_PARMS ! BCON parameters\n\n IMPLICIT NONE \n\nC Include Files:\n\nC Arguments: \n CHARACTER( 16 ), INTENT( IN ) :: TRNAME ! Tracer name\n REAL, INTENT( OUT ) :: TCOUT( :,: )\n\nC Parameters:\n INTEGER, PARAMETER :: CELL_RAD = 3 ! Radius for superposition tracers\n! INTEGER, PARAMETER :: COL_PEAK = 10 ! Location of center of peak for superposition tracers\n! INTEGER, PARAMETER :: ROW_PEAK = 10 ! Location of center of peak for superposition tracers\n REAL, PARAMETER :: CMAX = 50.0 ! Max tracer conc for superposition tracers\n REAL, PARAMETER :: CMIN = 50.0 ! Min tracer conc for superposition tracers\n\nC External Functions: None\n\nC Saved Local Variables:\n LOGICAL, SAVE :: LFIRST = .TRUE. ! Flag for first call\n REAL, SAVE, ALLOCATABLE :: SHAPE( : ) ! Shape factor for superposition tracers\n\nC Local Variables:\n CHARACTER( 16 ) :: PNAME = 'TRAC_BC' ! Procedure name\n CHARACTER( 80 ) :: MSG ! Log message\n\n INTEGER COL_PEAK ! Location of center of peak for superposition tracers\n INTEGER ROW_PEAK ! Location of center of peak for superposition tracers\n\n INTEGER C, R, L ! Grid loop indices\n INTEGER N ! Boundary cell counter\n INTEGER ALLOCSTAT ! Status returned from array allocation\n\n INTEGER, SAVE, ALLOCATABLE :: BCOL( : ) ! Map from boundary cell no. to grid column\n INTEGER, SAVE, ALLOCATABLE :: BROW( : ) ! Map from boundary cell no. to grid row\n\n REAL DISTSQ ! Distance squared for for superposition tracers\n REAL RADSQ ! Hill radius squared for superposition tracers\n REAL XDIST ! x-distance for for superposition tracers\n REAL YDIST ! y-distance for for superposition tracers\n \nC***********************************************************************\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Compute shape factors for superposition tracers on first call\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( LFIRST ) THEN\n LFIRST = .FALSE.\n\nC Allocate memory for Saved array\n ALLOCATE( SHAPE( NBNDY ), BCOL( NBNDY ), BROW( NBNDY ),\n & STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n MSG = 'Failure allocating SHAPE, BCOL, BROW'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n N = 0\n\nC South edge\n DO C = 1, NCOLS\n N = N + 1\n BCOL( N ) = C\n BROW( N ) = 1\n END DO\n N = N + 1\n BCOL( N ) = NCOLS\n BROW( N ) = 1\n\nC East edge\n DO R = 1, NROWS\n N = N + 1\n BCOL( N ) = NCOLS\n BROW( N ) = R\n END DO\n N = N + 1\n BCOL( N ) = NCOLS\n BROW( N ) = NROWS\n\nC North edge\n N = N + 1\n BCOL( N ) = 1\n BROW( N ) = NROWS\n DO C = 1, NCOLS\n N = N + 1\n BCOL( N ) = C\n BROW( N ) = NROWS\n END DO\n\nC West edge\n N = N + 1\n BCOL( N ) = 1\n BROW( N ) = 1\n DO R = 1, NROWS\n N = N + 1\n BCOL( N ) = 1\n BROW( N ) = R\n END DO\n\n RADSQ = FLOAT( CELL_RAD ) ** 2\n\n COL_PEAK = NCOLS / 2\n ROW_PEAK = NROWS / 2\n\n DO N = 1, NBNDY\n SHAPE( N ) = 0.0\n XDIST = ABS( FLOAT( BCOL( N ) - COL_PEAK ) )\n YDIST = ABS( FLOAT( BROW( N ) - ROW_PEAK ) )\n DISTSQ = XDIST * XDIST + YDIST * YDIST + RADSQ\n SHAPE( N ) = RADSQ / DISTSQ\n END DO\n\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Compute the ICs\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( TRNAME .EQ. TRAC_NAME( 1 ) ) THEN ! UN_IC1_BC0\n\n DO L = 1, NLAYS\n DO N = 1, NBNDY\n TCOUT( N,L ) = 0.0\n END DO\n END DO\n\n ELSE IF ( TRNAME .EQ. TRAC_NAME( 2 ) ) THEN ! UN_IC1_BC1\n\n DO L = 1, NLAYS\n DO N = 1, NBNDY\n TCOUT( N,L ) = 1.0\n END DO\n END DO\n\n ELSE IF ( TRNAME .EQ. TRAC_NAME( 3 ) ) THEN ! UN_IC0_BC1\n\n DO L = 1, NLAYS\n DO N = 1, NBNDY\n TCOUT( N,L ) = 1.0\n END DO\n END DO\n\n ELSE IF ( TRNAME .EQ. TRAC_NAME( 4 ) ) THEN ! STREET\n\n DO L = 1, NLAYS\n DO N = 1, NBNDY\n TCOUT( N,L ) = 0.0\n END DO\n END DO\n\n ELSE IF ( TRNAME .EQ. TRAC_NAME( 5 ) ) THEN ! CHECKERBOARD\n\n DO L = 1, NLAYS\n DO N = 1, NBNDY\n TCOUT( N,L ) = 0.0\n END DO\n END DO\n\n ELSE IF ( TRNAME .EQ. TRAC_NAME( 6 ) ) THEN ! SPOS_SIG_A\n\n DO L = 1, NLAYS\n DO N = 1, NBNDY\n TCOUT( N,L ) = 1.0 * CMAX * ( 1.0 + SHAPE( N ) ) + CMIN\n END DO\n END DO\n\n\n ELSE IF ( TRNAME .EQ. TRAC_NAME( 7 ) ) THEN ! SPOS_SIG_B\n\n DO L = 1, NLAYS\n DO N = 1, NBNDY\n TCOUT( N,L ) = 2.0 * CMAX * ( 1.0 + SHAPE( N ) ) - CMIN\n END DO\n END DO\n\n ELSE IF ( TRNAME .EQ. TRAC_NAME( 8 ) ) THEN ! SPOS_SIG_C\n\n DO L = 1, NLAYS\n DO N = 1, NBNDY\n TCOUT( N,L ) = - 1.0 * CMAX * ( 1.0 + SHAPE( N ) ) + 2.0 * CMIN\n END DO\n END DO\n\n END IF\n\n RETURN\n\n END\n" }, { "path": "PREP/bcon/src/tracer/trac_driver.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/BCON/src/tracer/trac_driver.F,v 1.2 2011/10/21 16:52:37 yoj Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\n\n SUBROUTINE TRAC_INBNDY ( LOGUNIT )\n\nC***********************************************************************\n \nC Function: Call the routine to compute catalogued special tracer species\nC BCs and write the Models-3 output file\n \nC Preconditions: None\n \nC Key Subroutines/Functions Called:\n \nC Revision History:\nC Prototype created by Jerry Gipson, January, 1998 \nC 02/25/02 Steve Howard (Jeff Young) - dynamic allocation\nC 19 Jul 11 J.Young: Convert for Namelist redesign + M3UTILIO\nC 23 May 12 J.Young: Replaced BC_PARMS include file with an F90 module\n \nC***********************************************************************\n\n USE HGRD_DEFN ! Module to store and load the horizontal grid variables\n USE VGRD_DEFN ! vertical layer specifications\n USE M3UTILIO ! IOAPI\n USE BC_PARMS ! BCON parameters\n\n IMPLICIT NONE \n\nC Arguments: \n INTEGER, INTENT( IN ) :: LOGUNIT ! Unit number for output log\n\nC Parameters: None\n\nC External Functions: None\n \nC Local Variables:\n CHARACTER( 80 ) :: MSG ! Log message\n CHARACTER( 16 ) :: PNAME = 'TRAC_INBNDY' ! Procedure name\n CHARACTER( 16 ) :: VNAME ! Output variable name\n\n CHARACTER( 16 ), ALLOCATABLE :: SPNAME_OUT( : ) ! Output tracer names\n CHARACTER( 16 ), ALLOCATABLE :: UNITS_OUT( : ) ! Output tracer units\n\n CHARACTER( 16 ), ALLOCATABLE :: TR_FNAME( : ) ! Output file name\n \n INTEGER FLN ! Output file number\n INTEGER N ! Loop index\n INTEGER NSPCS_OUT ! Number of IC species on output file(s)\n INTEGER ALLOCSTAT ! Status returned from array allocation\n INTEGER SDATE ! Date for IC Output\n INTEGER STIME ! Time for IC output\n INTEGER TSTEP ! Time step for output file\n\n INTEGER, ALLOCATABLE :: VTYPE_OUT( : ) ! Output tracer variable type\n\n REAL, ALLOCATABLE :: TCOUT( :,: ) ! Output tracer concs\n\n INTERFACE\n\n SUBROUTINE OPN_BC_FILE ( LOGUNIT, SDATE, STIME, TSTEP, NSPCS_OUT,\n & SPNAME_OUT, VTYPE_OUT, UNITS_OUT,\n & VDESC_OUT, BC_FNAME, RINDX )\n CHARACTER( 16 ), INTENT( OUT ) :: BC_FNAME( : )\n CHARACTER( 16 ), INTENT( IN ) :: SPNAME_OUT( : )\n CHARACTER( 16 ), INTENT( IN ) :: UNITS_OUT( : )\n CHARACTER( 80 ), INTENT( IN ) :: VDESC_OUT( : )\n INTEGER, INTENT( IN ) :: LOGUNIT\n INTEGER, INTENT( IN ) :: NSPCS_OUT\n INTEGER, INTENT( IN ) :: RINDX\n INTEGER, INTENT( IN ) :: SDATE\n INTEGER, INTENT( IN ) :: STIME\n INTEGER, INTENT( IN ) :: TSTEP\n INTEGER, INTENT( IN ) :: VTYPE_OUT( : )\n END SUBROUTINE OPN_BC_FILE\n\n SUBROUTINE TRAC_BC ( TRNAME, TCOUT )\n CHARACTER( 16 ), INTENT( IN ) :: TRNAME\n REAL, INTENT( OUT ) :: TCOUT( :,: )\n END SUBROUTINE TRAC_BC\n\n END INTERFACE\n\nC***********************************************************************\n\n WRITE( LOGUNIT, 92000 )\n \n ALLOCATE( TR_FNAME( MXCTMS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n MSG = 'Failure allocating TR_FNAME'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n ALLOCATE( UNITS_OUT( NTRACERS ),\n & SPNAME_OUT( NTRACERS ),\n & VTYPE_OUT( NTRACERS ),\n & STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n MSG = 'Failure allocating UNITS_OUT, SPNAME_OUT, VTYPE_OUT'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n NSPCS_OUT = NTRACERS\n DO N = 1, NSPCS_OUT\n SPNAME_OUT( N ) = TRAC_NAME( N )\n VTYPE_OUT( N ) = M3REAL\n UNITS_OUT( N ) = \"N/A\"\n END DO\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc open the Models3 IC output file(s)\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n SDATE = 0\n STIME = 0\n TSTEP = 0\n CALL OPN_BC_FILE( LOGUNIT, SDATE, STIME, TSTEP,\n & NSPCS_OUT, SPNAME_OUT, VTYPE_OUT, UNITS_OUT, TRAC_DESC,\n & TR_FNAME, 1 ) \n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc compute the BCs and then write the ooutput file\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n ALLOCATE ( TCOUT( NBNDY,NLAYS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n MSG = 'Error allocating TCOUT'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n\n DO N = 1, NSPCS_OUT\n\n FLN = ( N - 1 ) / MXVARS3 + 1\n VNAME = SPNAME_OUT( N )\n\n CALL TRAC_BC( VNAME, TCOUT )\n\n IF ( .NOT. WRITE3( TR_FNAME( FLN ), VNAME, SDATE, STIME,\n & TCOUT ) ) THEN\n MSG = 'Could not WRITE species ' // VNAME // \n & 'to file ' // TR_FNAME( FLN ) \n CALL M3EXIT( PNAME, SDATE, STIME, MSG, XSTAT1 )\n END IF\n\n END DO\n\n RETURN\n\nC************************* FORMAT STATEMENTS ***************************\n\n92000 FORMAT( // 1X, 79( '#' ) \n & / 1X, '# TRACER species section '\n & / 1X, 79( '#' )\n & // 5X, 'The tracer species module has been invoked; ',\n & 'BCs will be generated for tracer species ONLY.' )\n\n END\n" }, { "path": "PREP/create_omi/README.md", "content": "# create_omi \n\nThis tool creates the OMI input file describing how total ozone column density varies over the globe and time.\nThe file supports CMAQ model's in-line calculation of photolysis rates. Creating the OMI file involves processing \nobservations from satellites, ASCII files for the latitude/longitude distribution of the ozone column for a calendar \nday. The tool also creates IOAPI files for visualizing observations and the OMI file's data. They can \ndiffer because the tool interpolates observations to horizontal resolution of the OMI file. The resolution is \nan option specified by the run-script.\n\n### Compiling create_omi\n\nCompiling requires a **FORTRAN** compiler, **netcdf** and **IOAPI**. \nIf the requirements are met, a user has the below options. \n\n 1. Option One: \n - Copy src directory.\n - Go into the new directory and modify create_omi.makefile, _the_Makefile_, to define the compiler, library and include paths for netcdf and\n IOAPI for the case(s) needed.\n - Set the environment variable _compiler_ to intel, pgi or gcc based on the user's \n preference. \n - Type \"make clean\" then type \"make -f create_omi.makefile\". \n \n 2. Option Two, _requires the bldmake utility for the CMAQ model_: \n - Execute $CMAQ_HOME/bldit_project.csh with EXT_create_omi option set to Y.\n - Change directory to $CMAQ_HOME/PREP/create_omi.\n - Type bldit_create_omi.csh _compiler_. \n - If you wish to recompile create_omi, go into the created build directory, type \"make.it clean\".\n \n### Using create_omi for creating an OMI file\n\n#### Satellite Inputs\n\nTo create an OMI file, data for total ozone column density is required. The create_omi tool can use daily ASCII files from two \nsources via the wget or curl command. \n\n \n 1. NASA TOMS ftp site: \n - https://acd-ext.gsfc.nasa.gov/anonftp/toms/omi/data/Level3e/ozone\n - Lat/Lon resolution determined from first data file read\n - expected filename structure, _L3e_ozone_omi_YYYYMMDD.txt_\n - expected data format\n a. (a) with descriptive information\n b. (12x,i6) in second and third lines giving the number of latitude and longitude points \n c. (1x,25i3) in remaining line sgiving total ozone total\n\n 2. NASA OPeNAP website: \n - http://acdisc.gsfc.nasa.gov/opendap/HDF-EOS5/Aura_OMI_Level3/OMTO3d.003\n - requires creating an account and local _cookies_ \n - Lat/Lon resolution is assumed to be 1 by 1 degree ot 180 latitude by 360 longitude points\n - expected filename structure, _OMI.full.YYYYMMDD.ascii_ or _OMI.ozone.YYYYMMDD.ascii_\n - expected data format, comma-space \n a. character string then total ozone column versus longitude at fixed latitude\n \n \nBoth sources were lasted accessed in May of 2020.\n\nThe scripts directory contains an example for getting data from the NASA TOMS website, _scripts/get_toms_data.q_.\nWhen obtaining data files, we recommend getting files bracketing the desire peroid by several days because \nobservations may not available within given latitude/longitude ranges. The omission can occur because of the \nsatillite's orbit, polar night, or equipment failure. To go around the problem, create_omi uses \nthe last available observation or the mean value for a location, in respective presidence. For robust and more useful\noutput files, several months of data are suggested.\n\nAfter downloading data, the get data script checks the downloaded files for \\*\\*\\* strings and replaces each with the string \" 0\" (two blanks) which denotes a missing value. Sometimes, the former string passes through quality control procedures. The script uses the below commands to make corrections.\n\n grep -l \"\\*\\*\\*\" L3e_ozone_omi_*.txt\n sed 's/\\*\\*\\*/ 0/g' L3e_ozone_omi_YYYYMMDD.txt > tmp.txt\n mv -f tmp.txt L3e_ozone_omi_YYYYMMDD.txt\n\nAlternatively, a user can search the downloaded files and use a text editor to replace the bad data strings. \n \n#### Running create_omi \n\nThe script subdirectory includes a run-script, _scripts/run_create_omi.csh_. \nA user should Copy and modify the script before running it. The script sets several environment \nvariables that are runtime options. The below table lists and describes these options. Note that\nthe Defaults values were used to create the OMI file the CMAQ repository under CCTM/src/phot/inline and that \nthe output data is centered and symmetric about the equator. The create_omi tool assumes that all the data files have the same\nLat/Lon resolution.\n\n##### Runtime Options\n\n|Option |Description | Default Value | \n|:--------------|:------------------------------------------------------|:----:|\n| OMI_FILE_LIST | List of data files to process, sorted by calendar date | omi_file.txt |\n| PREV_DATE | Replace missing observation with last previous observation | True |\n| NLAT_OMI | Number of latitude points in output. Value should be odd and equal or greater than 17 | 17 |\n| NLON_OMI | Number of longitude points in output. Value should be odd and equal or greater than 17 | 17 |\n| LAT_BORDER | Degrees between the first latitude point from adjacent pole. Value cannot be less than observation | 10 |\n| FULL_FILES | Produce ASCII and IOAPI files at full lat/lon resolution of observations. Not used by the CMAQ model. | False |\n| OMI_FULL_DAT | OMI data (ASCII) at Lat/Lon Resolution of Observations | omi_full.dat |\n| OMI_FULL_NCF | OMI data in IOAPI format for visualization at Lat/Lon Resolution of Observations | OMI_FULL_NCF |\n| OMI_CMAQ_DAT | Processed OMI file (ASCII) for the CMAQ model | omi_cmaq.dat |\n| OMI_CMAQ_NCF | Processed OMI file in IOAPI format for visualization | OMI_CMAQ_NCF |\n\n#### Example Images extracted from IOAPI files. \n\nThe following images show the ozone column at three different resolution for the same date. The images were created form output\nfiles by using eighteen months of data from the TOMS ftp site.\n\n1. 10 by 22.5 degree Lat/Lon Resolution (default values) currently used in OMI data file under **CCTM/src/phot/inline**.\n\n![Ozone Column at Current Resolution](image_files/omi_ozone_column_17X17_May_10_2018.png)\n\n2. 1 by 1 degree Lat/Lon Resolution as determined by the settings in _scripts/cmaq_omi_env.q_.\n\n![Ozone Column at Script Resolution](image_files/omi_ozone_column_179X361_May_10_2018.png)\n\n2. 0.25 by 0.25 degree Lat/Lon Resolution taken from the OMI_FULL_NCF file.\n\n![Ozone Column at Observation's Resolution](image_files/omi_ozone_column_720X1440_May_10_2018.png)\n" }, { "path": "PREP/create_omi/scripts/bldit_create_omi.csh", "content": "#! /bin/csh -f\n\n# ================== CREATE_OMIv5.5.X Build Script ================== #\n# Usage: bldit_create_omi.csh >&! bldit_create_omi.log #\n# Requirements: I/O API & netCDF libraries; a Fortran compiler #\n# #\n# To report problems or request help with this script/program: #\n# http://www.cmascenter.org #\n# =================================================================== #\n\n# =======================================================================\n#> Preliminary error checking and environment configuration\n# =======================================================================\n\n#> Check that the host system is Linux-based\n set BLD_OS = `uname -s` \n if ($BLD_OS != 'Linux') then\n echo \" $BLD_OS -> wrong bldit script for host!\"\n exit 1\n endif\n\n#> Set Compiler Identity by User Input: Options -> intel | pgi | gcc\n if ( $#argv == 1 ) then\n setenv compiler $argv[1]\n setenv compilerVrsn Empty\n else if ( $#argv == 2 ) then\n #> Compiler Name and Version have been provided\n setenv compiler $1\n setenv compilerVrsn $2\n else\n echo \"usage: $0 \"\n echo \" where is intel, pgi or gcc\"\n exit(2)\n endif\n\n#> Source the config.cmaq file to set the build environment\n cd ../../..\n source ./config_cmaq.csh\n\n#> Source Code Repository\n set CMAQ_REPO = \"/home/hwo/CCTM_git_repository\"\n setenv PREP_REPO ${CMAQ_REPO}/PREP\n setenv UTIL_REPO ${CMAQ_REPO}/UTIL\n setenv REPOROOT ${PREP_REPO}/create_omi #> location of the create_omi's repository\n\n#>Work directory\n set WORK_DIR = ${REPOROOT}\n\n#===============================================================================\n#> Begin User Input Section\n#===============================================================================\n\n#> User choices: working directory and application ID\n set VRSN = v55 #> version\n set EXEC = create_omi_${VRSN}.exe #> executable name for this application\n set CFG = create_omi.cfg #> bldmake configuration file name\n\n setenv BLDER ${CMAQ_HOME}/UTIL/bldmake/bldmake_${compilerString}.exe #> location of makefile builder executable \n\n#> user choice: copy source files\n set CopySrc #> copy the source files into the BLD directory\n\n #set MakeFileOnly # builds a Makefile to make the model, but does not compile -\n # comment out to also compile the model (default if not set)\n\n# set CompileBLDMAKE #> Recompile the BLDMAKE utility from source\n #> comment out to use an existing BLDMAKE executable\n set ModDriver = src #> COMBINE Modules\n\n\n#============================================================================================\n#> Computing System Configuration:\n#> Most of these settings are done in config.cmaq\n#============================================================================================\n\n#> Set full path of Fortran 90 compiler\n setenv FC ${myFC}\n set FP = $FC\n\n#> Set IO/API version\n set IOAPI = ioapi_3.1\n\n#> Set compiler flags\n set FSTD = \"${myFSTD}\"\n set DBG = \"${myDBG}\"\n setenv F_FLAGS \"${myFFLAGS}\"\n set F90_FLAGS = \"${myFRFLAGS}\"\n set CPP_FLAGS = \"\" #> Fortran Preprocessor Flags\n set LINK_FLAGS = \"${myLINK_FLAG}\" #> Link Flags\n\n set LIB2 = \"${ioapi_lib}\"\n\n\n#============================================================================================\n#> Set up the combine build directory under the POST directory\n#> for checking out and compiling source code\n#============================================================================================\n set Bld = ${CMAQ_HOME}/PREP/create_omi/scripts/BLD_create_omi_${VRSN}_${compilerString}\n\n if ( ! -e \"$Bld\" ) then\n mkdir -pv $Bld\n else\n if ( ! -d \"$Bld\" ) then\n echo \" *** target exists, but not a directory ***\"\n exit 1\n endif\n endif\n\n cd $Bld\n\n#> Check for previous run\n if ( -e \"$Bld/${CFG}\" ) then\n echo \" >>> previous ${CFG} exists, re-naming to ${CFG}.old <<<\"\n mv $Bld/${CFG} $Bld/${CFG}.old\n endif\n\n#============================================================================================\n#> Make the config file\n#============================================================================================\n set Cfile = ${Bld}/$CFG\n set quote = '\"'\n\n echo > $Cfile\n echo \"model $EXEC;\" >> $Cfile\n echo >> $Cfile\n echo \"repo $REPOROOT;\" >> $Cfile\n echo >> $Cfile\n echo \"lib_base ${CMAQ_LIB};\" >> $Cfile\n echo >> $Cfile\n echo \"lib_1 ioapi/lib;\" >> $Cfile\n echo >> $Cfile\n echo \"lib_2 ioapi/include_files;\" >> $Cfile\n echo >> $Cfile\n echo \"lib_3 netcdf/include;\" >> $Cfile\n echo >> $Cfile\n echo \"lib_4 ioapi/lib;\" >> $Cfile\n echo >> $Cfile\n echo \"lib_5 netcdff/include;\" >> $Cfile\n echo \n set text = \"$quote$CPP_FLAGS$quote;\"\n echo \"cpp_flags $text\" >> $Cfile\n echo >> $Cfile\n echo \"f_compiler $FC;\" >> $Cfile\n echo >> $Cfile\n echo \"fstd $quote$FSTD$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"dbg $quote$DBG$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"f_flags $quote$F_FLAGS$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"f90_flags $quote$F90_FLAGS$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"link_flags $quote$LINK_FLAGS$quote;\" >> $Cfile\n echo >> $Cfile\n#echo \"libraries $quote$LIBS$quote;\" >> $Cfile\n echo \"ioapi $quote$LIB2$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"netcdf $quote$netcdf_lib$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"netcdff $quote$netcdff_lib$quote;\" >> $Cfile\n \n set text = \"combine\"\n echo \"// options are\" $text >> $Cfile\n echo \"Module ${ModDriver};\" >> $Cfile\n echo >> $Cfile\n\n#============================================================================================\n#> Use BLDMAKE to create the Makefile and model executable if desired\n#============================================================================================\n\n unalias mv rm\n\n#> Recompile BLDMAKE from source if requested or if it does not exist\n if ( $?CompileBLDMAKE || ! -f $BLDER ) then\n cd ${CMAQ_REPO}/UTIL/bldmake/scripts\n ./bldit_bldmake.csh\n endif\n \n#> Relocate to the BLD_* directory\n cd $Bld \n\n#> Set serial options for BLDMAKE execution\n set Blder = \"$BLDER -serial -verbose\"\n\n#> Run BLDMAKE Utility\n if ( $?MakeFileOnly ) then\n #> Just create the Makefile\n if ( $?CopySrc ) then\n $Blder -makefo $Cfile\n else\n $Blder -makefo -git_local $Cfile \n endif\n else \n # Also compile the model\n if ( $?CopySrc ) then\n $Blder $Cfile\n else\n $Blder -git_local $Cfile\n endif\n endif\n\n#> Save Makefile with Compiler-dependent name and create symbolic\n#> link back to generic name.\n mv Makefile Makefile.$compilerString\n if ( -e Makefile.$compilerString && -e Makefile ) rm Makefile\n ln -s Makefile.$compilerString Makefile\n\n#create make.it script that compiles create_omi without having to source config_cmaq.csh\n\n set make_it = \"make.it\"\n echo \"#! /bin/csh -f\" >! ${make_it}\n echo \" \" >> ${make_it}\n echo \"source ../../../../config_cmaq.csh \"${compiler}\" \"${compilerVrsn} >> ${make_it}\n echo 'if ( $#argv == 1 )then' >> ${make_it}\n echo ' if ( $1 == \"clean\" )make clean' >> ${make_it}\n echo \"endif\" >> ${make_it}\n echo \"make\" >> ${make_it}\n echo \"unsetenv compiler\" >> ${make_it}\n echo \"unsetenv compilerVrsn\" >> ${make_it}\n echo 'exit()' >> ${make_it}\n chmod +x ${make_it}\n\n#> Check for error during makefile generation\n if ( $status != 0 ) then\n echo \" *** failure in $Blder ***\"\n exit 1\n endif\n\n exit\n" }, { "path": "PREP/create_omi/scripts/get_toms_data.q", "content": "#! /bin/csh -f\nset echo\n\n#parameters determing what raw data files to download for annual OMI file\n #RECOMMENDATION: Download data last four months before start of the year and\n #up to one month after the end of the year. The suggestion attempts to prevent \n #encountering polar night in northern hemisphere and other possible data gaps.\n set YEAR_STUDY = \"2020\" #> year to be covered by OMI file\n set START_DATE = \"2019-09-01\" #> beginning date ( Sept 1, 2020)\n set END_DATE = \"2021-02-01\" #> ending date ( Feb 1, 2021)\n\n#output directory for raw OMI data files\n set OUTDIR = TOMS_OMI_O3_column/$YEAR_STUDY\n\n#download raw data files \n set BASE = $cwd\n if( ! ( -e $OUTDIR ) )mkdir -p $OUTDIR\n cd $OUTDIR\n\n set TODAYG = `date -ud \"${START_DATE}\" +%Y%m%d` #> data string in data file \n set TODAYJ = `date -ud \"${START_DATE}\" +%Y%j` #> Convert YYYY-MM-DD to YYYYJJJ\n set START_DAY = ${TODAYJ} \n set STOP_DAY = `date -ud \"${END_DATE}\" +%Y%j` #> Convert YYYY-MM-DD to YYYYJJJ\n\n while ($TODAYJ <= $STOP_DAY ) #>Compare dates in terms of YYYYJJJ\n\n set year = `date -ud \"${TODAYG}\" +%Y`\n\n wget https://acd-ext.gsfc.nasa.gov/anonftp/toms/omi/data/Level3e/ozone/Y$year/L3e_ozone_omi_\"${TODAYG}\".txt\n\n #> Increment both File and Julian Dates\n set TODAYG = `date -ud \"${TODAYG}+1days\" +%Y%m%d` #> Add a day for tomorrow\n set TODAYJ = `date -ud \"${TODAYG}\" +%Y%j` #> Convert YYYY-MM-DD to YYYYJJJ\n\n end #Loop to the next file to download\n\n#search for bad data and implement fixes\n set bad_files = ` grep -l \"\\*\\*\\*\" L3e_ozone_omi_*.txt `\n foreach file ( $bad_files )\n echo \"found bad data in ${file} and replacing with missing value flag\"\n sed 's/\\*\\*\\*/ 0/g' $file > tmp.txt\n \\mv -f tmp.txt $file\n end\n\n cd $BASE\n\nexit()\n" }, { "path": "PREP/create_omi/scripts/run_create_omi.csh", "content": "#! /bin/csh -f\n\n# ======================= CREATE_OMI 5.5.X Run Script ========================\n# Usage: run_create_omi.csh >&! create_omi.log &\n#\n# To report problems or request help with this script/program:\n# http://www.cmascenter.org\n# ====================================================================\nset echo\n# ==================================================================\n#> Runtime Environment Options\n# ==================================================================\n\n#> Choose compiler and set up CMAQ environment with correct\n#> libraries using config.cmaq. Options: intel | gcc | pgi\n setenv compiler gcc\n\nset echo\n\n#> Source the config.cmaq file to set the build environment\n set BASE = $cwd\n if( ! ( -e ../src ) )then\n cd ../../..\n source ./config_cmaq.csh\n else\n#work offline from CMAQ repository and build environment\n setenv Offline \"Y\"\n echo ${Offline}\n setenv COMPILER $compiler\n setenv compilerString ${compiler}\n setenv CMAQ_HOME $cwd/..\n echo \"set offline is ${Offline}\"\n endif\n echo ${CMAQ_HOME}\n cd $BASE\n\n\necho $compilerString\n\n#define executable and its path\n set VRSN = v55 #> Code Version\n set EXEC = create_omi_${VRSN}.exe\n\n# uncomment if using executable compiled with debugging flags\nif( ! ( $?Offline ) )then\n#define paths and create data file list\n setenv Debugging \n if( $?Debugging )then\n set XBASE = ${BASE}/BLD_create_omi_${VRSN}_${compilerString}_debug\n else\n set XBASE = ${BASE}/BLD_create_omi_${VRSN}_${compilerString}\n endif\n echo \"working online\"\nelse\n set XBASE = ${BASE}/../src\n echo \"working offline\"\nendif\n\necho $XBASE\n\nif( ! ( -e ${XBASE}/${EXEC} ) )then\n \\ls ${XBASE}/${EXEC}\n exit()\nendif\n\nset input_dir = ${BASE}\n# The below commented out commands set raw data from NASA ASDISC\n#set YEAR = \"2015\"\n#set DATA_DIR = ${input_dir}\"/OZONE_asdisc/test_data_\"${YEAR}\n#set infile = acdisc_list.dat\n#\\ls -1 $DATA_DIR/*.ascii >&! ${input_dir}/${infile}\n\n# The below commands uses raw data from NASA TOMS\n set YEAR = \"2019\"\n set DATA_DIR = ${BASE}\"/TOMS_OMI_O3_column/\"${YEAR}\n#set DATA_DIR = ${BASE}\"/TOMS_OMI_O3_column/test_data_\"${YEAR}\n set infile = toms_list.dat\n \\ls -1 $DATA_DIR/*.txt >&! ${input_dir}/${infile}\n cat ${input_dir}/${infile}\n \n#root directory for output files; final output directory set latter.\n set OUT_ROOT = ${BASE}\"/output\"\n\n#check OMI data file list\n#optimal results with data for entire length of needed year, plus December of previous year and\n# at least January 1st of next year\n set numb_files = ` cat ${input_dir}/${infile} | wc -l `\n if( $numb_files < 2 )then\n echo \"Too few files to process\"\n exit()\n else\n echo \"${numb_files} to process\"\n endif\n\n#parameters for routine that creates CMAQ OMI.dat file\n#Flag to replace missing with previous date\nsetenv PREV_DATE T\n \n#Flag to output ASCII and IOAPI file at full lat/lon resolution\n#Only for visualization. Not used by the CMAQ model\nsetenv FULL_FILES F\n\n#Should be an odd number so output data in includes the equator\n#Minimum value and Default value is 17\n#Maximum value dependent on input satellite data\n setenv NLAT_OMI 17\n#setenv NLAT_OMI 719\n\n#Set number of longitude points of ASCII OMI.dat file\n#Should be an odd number so first and last longitude point equal\n#Minimum value and Default value is 17\n#Maximum value dependent on input satellite data\n setenv NLON_OMI 17\n#setenv NLON_OMI 1441\n\n#Set the degrees between the first latitude point from adjacent pole\n#Minimum value dependent on input satellite data but greater zero\n setenv LAT_BORDER 10.0\n#setenv LAT_BORDER 1.0\n\n#output directory\nset OUTDIR = ${OUT_ROOT}\"/omi_\"${compilerString}\"_\"${YEAR}\"_\"${NLAT_OMI}\"X\"${NLON_OMI}\n\n#set output directory, make if needed\n if( ! ( -d $OUTDIR ) )mkdir -p $OUTDIR\n#change to output directory\n if( -d $OUTDIR )then\n cd $OUTDIR\n else\n echo \"failure make and/or change output directory\"\n \\ls $OUTDIR\n exit()\n endif\n\npwd\n\nset INFILE = ${input_dir}/${infile} \nif( -e $INFILE )then \n setenv OMI_FILE_LIST ${INFILE}\nelse\n \\ls ${INFILE}\n exit()\nendif \n \n#full resolution OMI data in ascii format\nset omi_full_dat = omi_full_${YEAR}.dat\nsetenv OMI_FULL_DAT ${OUTDIR}/${omi_full_dat}\n\n#subset of OMI data for CMAQ in ascii format\nset omi_cmaq_dat = omi_cmaq_${YEAR}.dat\nsetenv OMI_CMAQ_DAT ${OUTDIR}/${omi_cmaq_dat}\n\n#full resolution OMI data in netcdf/IOAPI format\nset omi_full_ncf = omi_full_${YEAR}.ncf\nsetenv OMI_FULL_NCF ${OUTDIR}/${omi_full_ncf}\n\n#subset of OMI data for CMAQ in netcdf/IOAPI format\nset omi_cmaq_ncf = omi_cmaq_${YEAR}.ncf\nsetenv OMI_CMAQ_NCF ${OUTDIR}/${omi_cmaq_ncf}\n\n#exit()\n ${XBASE}/${EXEC}\n\n#remove fort.* files\n \\rm -f fort.*\n \ncd $BASE\n\n#report on output directories contents\n\\ls -h -l ${OUTDIR}/*\n\nexit()\n" }, { "path": "PREP/create_omi/src/create_CMAQ_OMI.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/work/rep/arc/CCTM/src/phot/phot_inline/opphot.F,v 1.3 2011/10/21 16:11:28 yoj Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE CREATE_CMAQ_OMI ( FILE_NAME, JDATE, LAT, LON )\n\nC-----------------------------------------------------------------------\nC\nC FUNCTION: ioapi for OMI ozone column observation\nC\nC PRECONDITIONS REQUIRED:\nC None\nC\nC REVISION HISTORY:\nC Date Who What\nC -------- ---------- -----------------------------------------\nC-----------------------------------------------------------------------\n\n USE M3UTILIO\n\n IMPLICIT NONE\n\n\nC...Arguments\n\n CHARACTER( 16 ), INTENT( IN ) :: FILE_NAME ! name of file \n INTEGER, INTENT( IN ) :: JDATE ! Start date of file, YYYYDDD\n REAL, INTENT( IN ) :: LAT( : ) ! center latitudes of file cells\n REAL, INTENT( IN ) :: LON( : ) ! center longtudes of file cells\n\nC...Local variables\n\n CHARACTER( 32 ), SAVE :: PNAME = 'CREATE_CMAQ_OMI'\n CHARACTER( 20 ) :: COMMAND\n CHARACTER( 96 ) :: XMSG = ' '\n INTEGER :: TSTEP ! output time step\n\n INTEGER :: N, L, JWL, INCR ! loop variables\n INTEGER :: SYSTEM ! exteral function for line commands\n LOGICAL :: EXISTS \nC-----------------------------------------------------------------------\n\nC...Set output file characteristics based on COORD.EXT and open\nC... the photolysis diagnostic file\n\n FTYPE3D = GRDDED3\n SDATE3D = JDATE\n STIME3D = 0\n TSTEP3D = 240000\n\n NCOLS3D = SIZE( LON ) - 1 \n NROWS3D = SIZE( LAT ) \n NLAYS3D = 1\n NTHIK3D = 1\n GDTYP3D = LATGRD3 \n P_ALP3D = 0\n P_BET3D = 0\n P_GAM3D = 0\n XCELL3D = REAL( 360.0 / REAL( NCOLS3D ),8 ) ! 22.5 if ncols3d = 16\n YCELL3D = REAL( ABS(LAT(1)-LAT(NROWS3D))/REAL(NROWS3D-1),8 ) ! 10.0 if nrows3d = 17\n XORIG3D = -180.0D0 \n YORIG3D = REAL( LAT( NROWS3D ),8 )\n VGTYP3D = 7\n VGTOP3D = 5000\n\n VGLVS3D( 1 ) = 1.0\n VGLVS3D( 2 ) = 0.9975\n \n\n GDNAM3D = 'OMI_CMAQ' \n\nC...CSA Variables, Units and Descriptions for FILE_NAME\n N = 1\n VNAME3D( N ) = 'OZONE_COLUMN'\n UNITS3D( N ) = 'DU'\n VDESC3D( N ) = 'OMI Ozone Column Density'\n VTYPE3D( N ) = M3REAL\n\n NVARS3D = N\n FDESC3D( 1 ) = 'CMAQ subset of OMI Satellite Obseravations'\n DO L = 2, MXDESC3\n FDESC3D( L ) = ' '\n END DO\n! Determine if file exists and delete if needed\n INQUIRE( FILE = FILE_NAME, EXIST = EXISTS )\n IF( EXISTS )THEN\n COMMAND = '\\rm ' // TRIM( FILE_NAME )\n XMSG = 'WARNING: ' // Trim( FILE_NAME ) \n & // ' exists and deleting '\n WRITE( 6, * )\n N = SYSTEM( COMMAND )\n IF( N .EQ. -1 )THEN\n XMSG = 'Cannot delete '// FILE_NAME // ' file'\n CALL M3EXIT ( PNAME, SDATE3D, STIME3D, XMSG, XSTAT1 )\n END IF \n ELSE\n XMSG = 'NOTE: ' // Trim( FILE_NAME ) \n & // ' does not exist. '\n END IF\n! create file\n IF ( .NOT. OPEN3( FILE_NAME, FSCREA3, PNAME ) ) THEN\n XMSG = 'Could not create '// FILE_NAME // ' file'\n CALL M3EXIT ( PNAME, SDATE3D, STIME3D, XMSG, XSTAT1 )\n END IF\n\n\n END SUBROUTINE CREATE_CMAQ_OMI\n" }, { "path": "PREP/create_omi/src/create_ioapi_OMI.f", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/work/rep/arc/CCTM/src/phot/phot_inline/opphot.F,v 1.3 2011/10/21 16:11:28 yoj Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE CREATE_IOAPI_OMI ( FILE_NAME, JDATE, NLAT, NLON )\n\nC-----------------------------------------------------------------------\nC\nC FUNCTION: ioapi for OMI ozone column observation\nC\nC PRECONDITIONS REQUIRED:\nC None\nC\nC REVISION HISTORY:\nC Date Who What\nC -------- ---------- -----------------------------------------\nC-----------------------------------------------------------------------\n\n USE M3UTILIO\n\n IMPLICIT NONE\n\n\nC...Arguments\n\n CHARACTER( 16 ), INTENT( IN ) :: FILE_NAME ! name of file \n INTEGER, INTENT( IN ) :: JDATE ! Start date of file, YYYYDDD\n INTEGER, INTENT( IN ) :: NLAT ! # of latitude points\n INTEGER, INTENT( IN ) :: NLON ! # of Longitude points\n\nC...Local variables\n\n CHARACTER( 32 ), SAVE :: PNAME = 'CREATE_IOAPI_OMI'\n CHARACTER( 20 ) :: COMMAND\n CHARACTER( 96 ) :: XMSG = ' '\n INTEGER :: TSTEP ! output time step\n\n INTEGER :: N, L, JWL, INCR ! loop variables\n INTEGER :: SYSTEM ! exteral function for line commands\n LOGICAL :: EXISTS \nC-----------------------------------------------------------------------\n\nC...Set output file characteristics based on COORD.EXT and open\nC... the photolysis diagnostic file\n\n FTYPE3D = GRDDED3\n SDATE3D = JDATE\n STIME3D = 0\n TSTEP3D = 240000\n\n NCOLS3D = NLON\n NROWS3D = NLAT\n NLAYS3D = 1\n NTHIK3D = 1\n GDTYP3D = LATGRD3 \n P_ALP3D = 0\n P_BET3D = 0\n P_GAM3D = 0\n XORIG3D = -180.0D0\n YORIG3D = -90.0D0\n YCELL3D = REAL( 180.0 / REAL( NLAT, 4 ),8 )\n XCELL3D = REAL( 360.0 / REAL( NLON, 4 ),8 )\n VGTYP3D = 7\n VGTOP3D = 5000\n\n VGLVS3D( 1 ) = 1.0\n VGLVS3D( 2 ) = 0.9975\n \n\n GDNAM3D = 'OMI_GLOBE' \n\nC...CSA Variables, Units and Descriptions for FILE_NAME\n N = 1\n VNAME3D( N ) = 'OZONE_COLUMN'\n UNITS3D( N ) = 'DU'\n VDESC3D( N ) = 'Total Ozone Column Density'\n VTYPE3D( N ) = M3REAL\n\n N = N + 1\n VNAME3D( N ) = 'CLOUD_FRACT'\n UNITS3D( N ) = 'None'\n VDESC3D( N ) = 'Radiative Cloud Fraction'\n VTYPE3D( N ) = M3REAL\n\n N = N + 1\n VNAME3D( N ) = 'O3_MISSING'\n UNITS3D( N ) = 'None'\n VDESC3D( N ) = 'Ozone Column Density Not Avialable'\n VTYPE3D( N ) = M3REAL\n\n N = N + 1\n VNAME3D( N ) = 'LATITUDE'\n UNITS3D( N ) = 'DEG'\n VDESC3D( N ) = 'Latitude Coordinate'\n VTYPE3D( N ) = M3REAL\n\n NVARS3D = N\n FDESC3D( 1 ) = 'OMI Satellite Obseravations'\n DO L = 2, MXDESC3\n FDESC3D( L ) = ' '\n END DO\n! Determine if file exists and delete if needed\n INQUIRE( FILE = FILE_NAME, EXIST = EXISTS )\n IF( EXISTS )THEN\n COMMAND = '\\rm ' // TRIM( FILE_NAME )\n XMSG = 'WARNING: ' // Trim( FILE_NAME ) \n & // ' exists and deleting '\n WRITE( 6, * )\n N = SYSTEM( COMMAND )\n IF( N .EQ. -1 )THEN\n XMSG = 'Cannot delete '// FILE_NAME // ' file'\n CALL M3EXIT ( PNAME, SDATE3D, STIME3D, XMSG, XSTAT1 )\n END IF \n END IF\n! create file\n IF ( .NOT. OPEN3( FILE_NAME, FSCREA3, PNAME ) ) THEN\n XMSG = 'Could not create '// FILE_NAME // ' file'\n CALL M3EXIT ( PNAME, SDATE3D, STIME3D, XMSG, XSTAT1 )\n END IF\n\n\n END SUBROUTINE CREATE_IOAPI_OMI\n" }, { "path": "PREP/create_omi/src/create_omi.makefile", "content": "# make file to build program\n\nPROGRAM = create_omi_v532.exe\n\nifndef compiler\n# compiler = intel\n# compiler = pgi\n compiler = gcc\nendif\n\n#Helps diagnose crashes if they occur\nDEBUG = TRUE\n\nifeq ($(compiler),intel)\n\n FC = ifort\n CC = icc\n\n ioapi = /usr/local/apps/ioapi-3.2_20181011/intel-19.0/Linux2_x86_64ifort\n netcdf = /usr/local/apps/netcdf-4.6.3/intel-19.0\n \n include_path = -I $(ioapi) -I $(netcdf)/include -I .\n\n\n WARN = \n FSTD = -O2 -traceback\n DBG = -O0 -g -check bounds -check uninit -fpe0 -fno-alias -ftrapuv -traceback\n\n ifneq (,$(filter $(DEBUG), TRUE true ))\n f_FLAGS = -fixed -132 $(DBG) $(include_path)\n f90_FLAGS = -free $(DBG) $(include_path)\n else\n f_FLAGS = -fixed -132 $(FSTD) $(include_path)\n f90_FLAGS = -free $(FSTD) $(include_path)\n endif\n \n LINK_FLAGS = -i-static\n\nelse ifeq ($(compiler),pgi)\n\n FC = pgf90\n CC = pgcc\n \n ioapi = /home/wdx/lib/x86_64/pgi-17.4/ioapi_3.1/Linux2_x86_64pg\n netcdf = /usr/local/apps/netcdf-4.4.1/pgi-17.4\n \n include_path = -I $(ioapi) -I $(netcdf)/include -I .\n\n WARN = \n FSTD = -O3 -Mextend\n DBG = -O0 -g -Mbounds -Mchkptr -traceback -Ktrap=fp -Mextend\n\n ifneq (,$(filter $(DEBUG), TRUE true ))\n f_FLAGS = -Mfixed $(DBG) $(include_path)\n f90_FLAGS = -Mfree $(DBG) $(include_path)\n else\n f_FLAGS = -Mfixed $(FSTD) $(include_path)\n f90_FLAGS = -Mfree $(FSTD) $(include_path)\n endif\n\nelse ifeq ($(compiler),gcc)\n\n FC = gfortran\n CC = cc\n\n ioapi = /home/wdx/lib/x86_64/gcc-6.1/ioapi_3.1/Linux2_x86_64gfort\n netcdf = /usr/local/apps/netcdf-4.6.1/gcc-6.1.0\n \n include_path = -I $(ioapi) -I $(netcdf)/include -I .\n\n WARN = \n FSTD = -O2 -funroll-loops -finit-character=32 -Wconversion-extra -Wtabs -Wsurprising\n DBG = -Wall -O0 -g -fcheck=all -ffpe-trap=invalid,zero,overflow -fbounds-check -fbacktrace -Wno-zerotrip -Wno-unused-function\n\n ifneq (,$(filter $(DEBUG), TRUE true ))\n f_FLAGS = -ffixed-form -ffixed-line-length-132 -funroll-loops -finit-character=32 $(DBG) $(include_path)\n f90_FLAGS = -ffree-form -ffree-line-length-none -funroll-loops -finit-character=32 $(DBG) $(include_path)\n else\n f_FLAGS = -ffixed-form -ffixed-line-length-132 -funroll-loops -finit-character=32 $(FSTD) $(include_path)\n f90_FLAGS = -ffree-form -ffree-line-length-none -funroll-loops -finit-character=32 $(FSTD) $(include_path)\n endif\n\nelse\n ERROR1 = \"Makefile not configured to support the specified compiler, $(compiler). USER MUST USE intel, pgi or gcc options or MODIFY Makefile\"\nendif\n\nifdef ERROR1\n $(error $(ERROR1))\nendif\n\nF_FLAGS = $(f_FLAGS)\nF90_FLAGS = $(f90_FLAGS)\nC_FLAGS = -I.\n\nLINKER = $(FC)\nLINK_FLAGS = \n\nCPP = $(FC)\nCPP_FLAGS = \n\nIOAPI = -L$(ioapi) -lioapi\nNETCDF = -L$(netcdf)/lib -lnetcdf -lnetcdff\nLIBRARIES = $(IOAPI) $(NETCDF)\n\n\nSRC = \\\n get_env_vars.o \\\n module_envvar.o \\\n module_utilities.o \\\n create_CMAQ_OMI.o \\\n create_ioapi_OMI.o \\\n driver.o \n\nOBJS = \\\n $() \\\n $(SRC)\n\n.SUFFIXES: .F .f .c .F90 .f90\n\n$(PROGRAM): $(OBJS)\n\t$(LINKER) $(LINK_FLAGS) $(OBJS) $(LIBRARIES) -o $@\n\n.F.o:\n\t$(FC) -c $(F_FLAGS) $(CPP_FLAGS) $(INCLUDES) $<\n\n.f.o:\n\t$(FC) -c $(F_FLAGS) $<\n\n.F90.o:\n\t$(FC) -c $(F90_FLAGS) $(CPP_FLAGS) $(INCLUDES) $<\n\n.f90.o:\n\t$(FC) -c $(F90_FLAGS) $<\n\n.c.o:\n\t$(CC) -c $(C_FLAGS) $<\n\nclean:\n\t\\rm -f $(OBJS) *.mod\n\n\n# dependencies\n\nmodule_envvar.o:\tget_env_vars.o\ndriver.o:\tmodule_envvar.o module_utilities.o\n" }, { "path": "PREP/create_omi/src/driver.f", "content": " program omi\n\n USE m3utilio\n USE ENV_VARS\n USE utilities_module\n\n implicit none\n \n character(18) :: rowheader\n character(256), allocatable :: OMI_filename( : )\n character(256) :: file_name\n character(256) :: file_line\n character(16) :: OMI_FILE_NCF = 'OMI_FULL_NCF'\n character(16) :: EXTEN_FILE_NCF = 'OMI_EXPAND_NCF'\n CHARACTER(80) :: XMSG = ' '\n\n integer nlatitude \n integer nlongitude\n integer year,month,day, julday\n integer icount, jcount\n integer i,j,k\n integer i_, j_\n integer ip1, kp1\n integer i_max, j_max\n integer nfiles\n integer unit_expand\n integer ipass\n integer io_files\n integer io_file_init\n integer io_full_dat\n integer jdate_init\n integer jdate_prev\n integer jdate_next\n integer ldate\n integer stat_allocate\n! integer delta_julian\n integer delta_date\n\n integer, allocatable :: jdate( : ) \n integer, allocatable :: idate( : )\n integer, allocatable :: oz_toms( : )\n\n Character(3), allocatable :: oz_string( : )\n \n real, parameter :: pi = 3.14159\n real, parameter :: pi180 = pi / 180.0\n real(8), parameter :: fill_limit = 3.14159d0 /36.0d0\n\n real(8), allocatable :: oz ( :,: )\n real(8), allocatable :: oz_( :,: )\n real(8), allocatable :: oz_mean( :,: ) \n real(8), allocatable :: oz_prev( :,: )\n real(8), allocatable :: oz_expand( :,: )\n real(8), allocatable :: gregdate( : ),yrfrac_( : )\n\n real, allocatable :: lat_omi( :), lon_omi( : ), lat_ioapi( :,: ) \n real(8), allocatable :: phi_omi( : ), theta_omi( : ) ! lat, lon [radians]\n real(8), allocatable :: lat_( : ),lon_( : )\n real(8), allocatable :: oz_extend( :,: )\n\n real, allocatable :: ioapi_buff( :,: )\n real, allocatable :: ioapi_prev( :,: )\n real, allocatable :: oz_adjust( :,: )\n real, allocatable :: oz_ioapi( :,: )\n real, allocatable :: cloud_fraction( :,: )\n real, allocatable :: o3_missing( :,: )\n real, allocatable :: lat_expand(:),lon_expand(:) \n\n real(8) :: yrfrac\n real :: latstepsize,lonstepsize\n real :: lat,lon\n real :: init_lat,init_lon\n real(8) :: w(2),v(4)\n\n logical :: eflag = .False.\n logical, save :: First_time = .True.\n logical, parameter :: near_neighbor = .False. ! replace missing using fill subroutine\n logical :: read_clouds = .False.\n logical :: TOMS_FORMAT = .False.\n\n interface\n SUBROUTINE CREATE_IOAPI_OMI ( FILE_NAME, JDATE, NLAT, NLON )\n CHARACTER( 16 ), INTENT( IN ) :: FILE_NAME ! name of file \n INTEGER, INTENT( IN ) :: JDATE ! Start date of file, YYYYDDD\n INTEGER, INTENT( IN ) :: NLAT ! # of latitude points\n INTEGER, INTENT( IN ) :: NLON ! # of Longitude points\n END SUBROUTINE CREATE_IOAPI_OMI\n SUBROUTINE CREATE_EXTEND_OMI ( FILE_NAME, JDATE )\n CHARACTER( 16 ), INTENT( IN ) :: FILE_NAME ! name of file \n INTEGER, INTENT( IN ) :: JDATE ! Start date of file, YYYYDDD\n END SUBROUTINE CREATE_EXTEND_OMI\n end interface\n\n\n Call GET_ENVS()\n\n nlatitude = 180\n nlongitude = 360\n\n if( CREATE_FULL_FILES )open(file=OMI_FULL_DAT,newunit=io_full_dat)\n\n file_name ='a' \n \n call get_OMI_listsize(OMI_FILE_LIST,nfiles)\n\n Allocate( OMI_filename( nfiles ), stat=stat_allocate )\n If ( stat_allocate .ne. 0 ) Then\n xmsg = 'error allocating OMI_filename'\n write(6,'(a)')xmsg\n Stop \n End If\n Allocate( jdate( nfiles ), idate(nfiles), stat=stat_allocate )\n If ( stat_allocate .ne. 0 ) Then\n xmsg = 'error allocating jdate,idate'\n write(6,'(a)')xmsg\n Stop \n End If\n Allocate( gregdate( nfiles ),yrfrac_(nfiles), stat=stat_allocate )\n If ( stat_allocate .ne. 0 ) Then\n xmsg = 'error allocating gregdate,yrfrac'\n write(6,'(a)')xmsg\n Stop \n End If\n \n Open(file=OMI_FILE_LIST,status='old',newunit=io_files)\n Do j = 1,nfiles \n read(io_files,'(a)')file_name\n! get starting position of date in file name\n k = index(file_name,'OMI.ozone.', back=.true. ) + 10\n If( k .eq. 10 )Then\n k = index(file_name,'OMI.full.', back=.true. ) + 9\n End If\n If( k .eq. 9 )Then\n k = index(file_name,'L3e_ozone_omi_', back=.true. ) + 14\n TOMS_FORMAT = .True.\n End If\n read(file_name(k:k+7),*)idate(j)\n End Do\n\n If( TOMS_FORMAT )Then ! reset nlatitude and nlongitude\n Open(file=file_name,status='old',newunit=io_file_init)\n Read(io_file_init,'(a)')file_line\n Read(io_file_init,'(12x,i6)')nlongitude\n Read(io_file_init,'(12x,i6)')nlatitude\n Allocate( oz_string( nlongitude ), stat=stat_allocate )\n Allocate( oz_toms( nlongitude ), stat=stat_allocate )\n If ( stat_allocate .ne. 0 ) Then\n xmsg = 'error allocating jdate,idate'\n write(6,'(a)')xmsg\n Stop \n End If\n Close( io_file_init )\n End If\n\n Call Init_Arrays() \n \n do j = 1,nfiles\n\n gregdate(j) = real(idate(j),8)\n \n year = int( gregdate(j) /10000.d0)\n month = int((gregdate(j) - (real(year,8))*10000.d0)/ 100.d0)\n day = int((gregdate(j) - (real(year,8))*10000.d0 \n & - (real(month,8))*100.d0 )/ 1.d0)\n\n call julian_date (year,month,day,julday,yrfrac)\n\n jdate( j ) = 1000 * year + julday\n If( j .Gt. 1 )Then ! check for continuous and ascending dates\n delta_date = Delta_Julian( jdate( j ),jdate( j-1 ) )\n If( delta_date .gt. 1 )Then\n Print*,'Data gap from ',jdate( j-1 ),' to ', jdate( j ) \n Else If( delta_date .eq. 0 )Then\n write(6,'(a,2(i1000,1x))')\n & 'Input file list has files with equal dates betweeen lines:', j-1,j\n eflag = .true.\n Else If( delta_date .lt. 0 )Then\n write(6,'(a,2(i1000,1x))')\n & 'Input file list has files with decreasing dates betweeen lines:', j-1,j\n eflag = .true.\n End If\n End If\n yrfrac_(j) = yrfrac+real(year,8)\n End Do\n \n If( eflag )Then\n write(6,'(a)')'Above errors found in OMI_FILE_LIST'\n Stop\n End If \n\n!set jdate_init\n if( mod(jdate( 1 ),1000) .gt. 1 )then\n jdate_init = jdate( 1 ) - 1\n else \n year = idate(1)/10000 - 1\n day = 31\n month = 12\n call julian_date (year,month,day,julday,yrfrac)\n jdate_init = 1000 * year + julday\n end if\n\n latstepsize = 180.0/real(nlatitude)\n lonstepsize = 360.0/real(nlongitude)\n \n init_lat = 0.5*real(latstepsize)\n init_lon = 0.5*real(lonstepsize)\n\n close(io_files)\n open(file=OMI_FILE_LIST,newunit=io_files)\n do i = 1, (nlatitude/2)\n lat_omi( i ) = ( 90.0 + init_lat ) - latstepsize*real(i)\n phi_omi( i ) = real(pi180*lat_omi(i), 8 )\n lat_omi( nlatitude - i + 1 ) = - lat_omi( i )\n phi_omi( nlatitude - i + 1 ) = - phi_omi( i )\n end do\n\n\n! do i = 1, nlatitude\n! print*,'lat_omi( i ), phi_omi( i ) = ',lat_omi( i ), phi_omi( i ) \n! end do \n! print*,'lat_omi( 1 ), phi_omi( 1 ) = ',lat_omi( 1 ), phi_omi( 1 ) \n\n\n\n do i = 1, nlongitude\n lon_omi( i ) = -180.0 - init_lon + lonstepsize*real(i)\n end do\n do i = 1, (nlongitude/2)\n theta_omi( i ) = real(pi180*(lon_omi( i ) + 360.0), 8)\n k = i + (nlongitude/2)\n theta_omi( k ) = real(pi180*lon_omi( k ), 8)\n end do\n \n! do i = 1, nlongitude\n! print*,'lon_omi( i ), theta_omi( i ) = ',lon_omi( i ), theta_omi( i ), lonstepsize\n! end do \n! print*,'lon_omi( 1 ), theta_omi( 1 ) = ',lon_omi( 1 ), theta_omi( 1 ), lonstepsize\n \n Do i = 1, nlatitude\n Do j = 1, nlongitude\n lat_ioapi( j,nlatitude-i+1) = lat_omi( i )\n End Do\n End Do\n\n call expand_init()\n! open( file = 'OMI_expand_14t16.dat', status = 'unknown', newunit = unit_expand )\n! write(unit_expand,'(a19,720f7.1)')' yeardate lat ',(lon_expand(j),j=1,720) \n\n\n call get_mean()\n \n do i = 1, nlatitude\n do k = 1, nlongitude\n if( oz_mean( i,k ) .ne. oz_mean( i,k ) )stop\n oz_ioapi( k, nlatitude - i + 1 ) = real( oz_mean( i,k ), 4 )\n end do\n end do\n\n! print*,'oz_ioapi:oz_mean max/min: ',maxval(oz_ioapi),'/',maxval(oz_mean),minval(oz_ioapi),\n! & '/',minval(oz_mean)\n\n if( CREATE_FULL_FILES )then\n call CREATE_IOAPI_OMI( OMI_FILE_NCF, jdate_init, nlatitude, nlongitude )\n! call CREATE_EXTEND_OMI( EXTEN_FILE_NCF, jdate( 1 ) )\n IF ( .NOT. WRITE3( OMI_FILE_NCF, 'OZONE_COLUMN', JDATE_INIT, 0,\n & OZ_IOAPI ) ) THEN\n XMSG = 'Error writing variable OZONE_COLUMN'\n CALL M3EXIT ( 'RO3', JDATE_INIT, 0, XMSG, XSTAT1 )\n END IF\n\n cloud_fraction = -1.0\n IF ( .NOT. WRITE3( OMI_FILE_NCF, 'CLOUD_FRACT', JDATE_INIT, 0,\n & CLOUD_FRACTION ) ) THEN\n XMSG = 'Error writing variable CLOUD_FRACT'\n CALL M3EXIT ( 'RO3', JDATE_INIT, 0, XMSG, XSTAT1 )\n END IF\n \n o3_missing = -1.0\n IF ( .NOT. WRITE3( OMI_FILE_NCF, 'O3_MISSING', JDATE_INIT, 0,\n & O3_MISSING ) ) THEN\n XMSG = 'Error writing variable O3_MISSING'\n CALL M3EXIT ( 'RO3', JDATE_INIT, 0, XMSG, XSTAT1 )\n END IF\n\n IF ( .NOT. WRITE3( OMI_FILE_NCF, 'LATITUDE', JDATE_INIT, 0,\n & LAT_IOAPI ) ) THEN\n XMSG = 'Error writing variable LATITUDE'\n CALL M3EXIT ( 'RO3', JDATE_INIT, 0, XMSG, XSTAT1 )\n END IF\n end if\n\n! set initial previous values to mean from all files \n oz_prev = oz_mean\n jdate_next = jdate_init\n Loop_Omi_Files: do j = 1,nfiles\n \n read(io_files,'(a)')OMI_filename(j)\n write(6,'(a)')OMI_filename(j)\n! determine whether to read cloud fraction\n if( index(OMI_filename(j),'OMI.full.', back=.true. ) .gt. 0 )then\n read_clouds = .True.\n else\n read_clouds = .False.\n end if \n\n open(file=OMI_filename(j),status = 'old', newunit=io_file_init)\n oz = 0.d0\n oz_ = 0.d0\n cloud_fraction = -1.0\n If( TOMS_FORMAT )Then\n Do i = 1, 3\n read(io_file_init,'(a)')file_line\n End Do\n Do i = nlatitude, 1, -1\n lat = init_lat*real( i ) - ( 90.0 + init_lat ) \n! read(io_file_init,'(1x,25a3)')(oz_string(k),k = 1, nlongitude)\n! Do k = 1, nlongitude\n! If( oz_string(k) .Eq. '***' )Then\n! oz_toms(k) = 0.0\n! Else\n! read(oz_string(k),'(i3)')oz_toms(k)\n! End If\n! End Do\n read(io_file_init,'(1x,25i3)')(oz_toms(k),k = 1, nlongitude)\n oz(i,1:nlongitude) = real( oz_toms(1:nlongitude),8)\n! write(6,'(25(i3,1x))')(int(oz(i,k)),k = 1, nlongitude)\n! if(i .ge. nlatitude -1 )write(6,555)yrfrac_(j),lat_omi(i),(( oz_toms(k) ),k=1,nlongitude) \n End Do\n Else\n read(io_file_init,*)\n do i = nlatitude,1,-1\n lat = 90.0 + init_lat - init_lat*real( i )\n read(io_file_init,*)rowheader,(oz(i,k),k=1,nlongitude)\n end do\n if( read_clouds )then\n do i = 1,nlatitude\n read(io_file_init,*)rowheader,(cloud_fraction(k,i),k=1,nlongitude)\n end do\n where( cloud_fraction .lt. -1.0 ) cloud_fraction = -1.0\n where( cloud_fraction .gt. 1.0 ) cloud_fraction = 1.0\n end if\n End If\n Close( io_file_init )\n! pause\n where( oz .lt. 1.0d-3 ) oz = -1.0d0\n\n\n! fill in missing values with nearest neighbors\n if( LUSE_NEIGHBORS ) then \n call fill(phi_omi, theta_omi, oz, fill_limit)\n end if\n\n! replace values still missing with previous values\n do i = 1, nlatitude\n do k = 1, nlongitude\n if( oz(i,k) .le. 0.0d0 )then\n if( LUSE_PREV_DATE )oz(i,k) = oz_prev(i,k)\n o3_missing( k, nlatitude - i + 1 ) = 1.0\n else \n o3_missing( k, nlatitude - i + 1 ) = -1.0\n end if\n end do\n end do\n\n do i = 1, nlatitude\n do k = 1, nlongitude\n oz_ioapi( k, nlatitude - i + 1 ) = real( oz( i,k ), 4 )\n end do\n end do\n\n write(6,'(5(a,f6.2,1x))') 'oz_ioapi:oz max:oz_ioapi:oz min/min ',\n & maxval(oz_ioapi),'/',maxval(oz),':',minval(oz_ioapi),'/',minval(oz)\n\n! Test whether Observation's date matches expected date\n Call Julian_plus_One( jdate_next )\n If( jdate_next .ne. JDATE( J ) )Then ! corrected expected date\n delta_date = Delta_julian( jdate_next, JDATE( J ) )\n OZ_ADJUST = ( OZ_IOAPI - IOAPI_PREV )/REAL( delta_date + 1 )\n If( CREATE_FULL_FILES )Then ! write out previous values \n Do ldate = 1, delta_date\n IOAPI_PREV = OZ_ADJUST + IOAPI_PREV\n IF ( .NOT. WRITE3( OMI_FILE_NCF, 'OZONE_COLUMN', jdate_next, 0,\n & IOAPI_PREV ) ) THEN\n XMSG = 'Error writing variable OZONE_COLUMN'\n CALL M3EXIT ( 'RO3', JDATE( J ), 0, XMSG, XSTAT1 )\n END IF\n IF ( .NOT. WRITE3( OMI_FILE_NCF, 'CLOUD_FRACT', jdate_next, 0,\n & IOAPI_BUFF ) ) THEN\n XMSG = 'Error writing variable CLOUD_FRACT'\n CALL M3EXIT ( 'RO3', JDATE_INIT, 0, XMSG, XSTAT1 )\n END IF\n IF ( .NOT. WRITE3( OMI_FILE_NCF, 'O3_MISSING', jdate_next, 0,\n & IOAPI_BUFF ) ) THEN\n XMSG = 'Error writing variable O3_MISSING'\n CALL M3EXIT ( 'RO3', JDATE_INIT, 0, XMSG, XSTAT1 )\n END IF\n IF ( .NOT. WRITE3( OMI_FILE_NCF, 'LATITUDE', jdate_next, 0,\n & LAT_IOAPI ) ) THEN\n XMSG = 'Error writing variable LATITUDE'\n CALL M3EXIT ( 'RO3', JDATE_INIT, 0, XMSG, XSTAT1 )\n END IF\n Call Julian_plus_One( jdate_next )\n End Do\n Else\n Do ldate = 1, delta_date\n Call Julian_plus_One( jdate_next )\n End Do\n End If\n End If\n\n If( CREATE_FULL_FILES )Then\n IF ( .NOT. WRITE3( OMI_FILE_NCF, 'OZONE_COLUMN', JDATE( J ), 0,\n & OZ_IOAPI ) ) THEN\n XMSG = 'Error writing variable OZONE_COLUMN'\n CALL M3EXIT ( 'RO3', JDATE( J ), 0, XMSG, XSTAT1 )\n END IF\n IF ( .NOT. WRITE3( OMI_FILE_NCF, 'CLOUD_FRACT', JDATE( J ), 0,\n & CLOUD_FRACTION ) ) THEN\n XMSG = 'Error writing variable CLOUD_FRACT'\n CALL M3EXIT ( 'RO3', JDATE_INIT, 0, XMSG, XSTAT1 )\n END IF\n IF ( .NOT. WRITE3( OMI_FILE_NCF, 'O3_MISSING', JDATE( J ), 0,\n & O3_MISSING ) ) THEN\n XMSG = 'Error writing variable O3_MISSING'\n CALL M3EXIT ( 'RO3', JDATE_INIT, 0, XMSG, XSTAT1 )\n END IF\n IF ( .NOT. WRITE3( OMI_FILE_NCF, 'LATITUDE', JDATE( J ), 0,\n & LAT_IOAPI ) ) THEN\n XMSG = 'Error writing variable LATITUDE'\n CALL M3EXIT ( 'RO3', JDATE_INIT, 0, XMSG, XSTAT1 )\n END IF\n End If\n\n IOAPI_PREV = OZ_IOAPI\n jdate_prev = jdate( j )\n\n i_ = 0\n lat_ = 0.0d0\n lon_ = 0.0d0\n oz_ = 0.0d0\n do 490 i = 1,nlatitude\n i_ = i_ + 1\n lat_(i_) = real( lat_omi( i ),8 ) ! lat \n j_ = 0\n do 470 k = 1,nlongitude\n j_ = j_ + 1\n lon_(j_) = real( lon_omi( k ),8 ) ! lon\n oz_(i_,j_) = max( -1.0d0, oz(i,k) )\n470 continue\n490 continue\n i_max = i_\n j_max = j_\n\n call expand_grid\n\n do i = 1, 2*nlatitude-1\n do k = 1, 2*nlongitude\n oz_extend( k, 2*nlatitude - i ) = oz_expand( i,k )\n end do\n end do\n\n! IF ( .NOT. WRITE3( EXTEN_FILE_NCF, 'OZONE_COLUMN', JDATE( J ), 0,\n! & OZ_EXTEND ) ) THEN\n! XMSG = 'Error writing variable OZONE_COLUMN'\n! CALL M3EXIT ( 'RO3', JDATE( J ), 0, XMSG, XSTAT1 )\n! END IF\n\n\n If( CREATE_FULL_FILES )Then\n do i_ = 1, i_max\n if((j.eq.1).and.(i_.eq.1))then\n write(io_full_dat,545)latstepsize,lonstepsize\n write(io_full_dat,550)' yeardate lat ',((lon_(j_)),j_=1,j_max) \n endif\n write(io_full_dat,555)yrfrac_(j),lat_(i_),(idnint( oz_(i_,j_) ),j_=1,j_max) \n end do\n End If\n\n\n call extract_o3_cmaq ( jdate(j), yrfrac_(j), lat_expand, lon_expand, oz_expand )\n! call viz_o3totcol ( jdate(j) )\n\n oz_prev = oz\n\n890 End Do Loop_Omi_Files \n\n\n\n545 format(2(f7.3,1x))\n!550 format(7x,360f7.1)\n550 format(a19,2880f9.3) \n!555 format(f6.1,1x,360f7.0) \n555 format(f10.4,f9.3,2880i7)\n! write(12,*)date(j)\n \n close(io_files) \n if( CREATE_FULL_FILES )close(io_full_dat)\n! close(unit_expand)\n999 stop\n CONTAINS\n Subroutine Init_Arrays()\n Implicit None\n\n\n Allocate( oz(nlatitude,nlongitude) ,oz_(nlatitude,nlongitude), stat=stat_allocate )\n If ( stat_allocate .ne. 0 ) Then\n xmsg = 'error allocating oz,oz_'\n write(6,'(a)')xmsg\n Stop \n End If\n Allocate( oz_mean(nlatitude,nlongitude), stat=stat_allocate )\n If ( stat_allocate .ne. 0 ) Then\n xmsg = 'error allocating oz_mean'\n write(6,'(a)')xmsg\n Stop \n End If\n Allocate( oz_prev(nlatitude,nlongitude), stat=stat_allocate )\n If ( stat_allocate .ne. 0 ) Then\n xmsg = 'error allocating oz_prev'\n write(6,'(a)')xmsg\n Stop \n End If \n Allocate( oz_expand(2*nlatitude-1,2*nlongitude), stat=stat_allocate )\n If ( stat_allocate .ne. 0 ) Then\n xmsg = 'error allocating oz_expand'\n write(6,'(a)')xmsg\n Stop \n End If\n Allocate( lat_omi(nlatitude),lon_omi(nlongitude) , stat=stat_allocate )\n If ( stat_allocate .ne. 0 ) Then\n xmsg = 'error allocating lat_omi,lon_omi'\n write(6,'(a)')xmsg\n Stop \n End If\n Allocate( phi_omi(nlatitude),theta_omi(nlongitude) , stat=stat_allocate )\n If ( stat_allocate .ne. 0 ) Then\n xmsg = 'error allocating phi_omi,theta_omi'\n write(6,'(a)')xmsg\n Stop \n End If\n Allocate( lat_(nlatitude),lon_(nlongitude), stat=stat_allocate )\n If ( stat_allocate .ne. 0 ) Then\n xmsg = 'error allocating lat_,lon_'\n write(6,'(a)')xmsg\n Stop \n End If\n Allocate( oz_extend(2*nlongitude,2*nlatitude-1), stat=stat_allocate )\n If ( stat_allocate .ne. 0 ) Then\n xmsg = 'error allocating oz_extend'\n write(6,'(a)')xmsg\n Stop \n End If\n Allocate( oz_ioapi(nlongitude,nlatitude), stat=stat_allocate )\n If ( stat_allocate .ne. 0 ) Then\n xmsg = 'error allocating oz_ioapi'\n write(6,'(a)')xmsg\n Stop \n End If\n Allocate( ioapi_prev(nlongitude,nlatitude), stat=stat_allocate )\n If ( stat_allocate .ne. 0 ) Then\n xmsg = 'error allocating ioapi_prev'\n write(6,'(a)')xmsg\n Stop \n End If\n ioapi_prev = 0.0\n Allocate( ioapi_buff(nlongitude,nlatitude), stat=stat_allocate )\n If ( stat_allocate .ne. 0 ) Then\n xmsg = 'error allocating ioapi_buff'\n write(6,'(a)')xmsg\n Stop \n End If\n ioapi_buff = -1.0\n Allocate( oz_adjust(nlongitude,nlatitude), stat=stat_allocate )\n If ( stat_allocate .ne. 0 ) Then\n xmsg = 'error allocating oz_adjust'\n write(6,'(a)')xmsg\n Stop \n End If\n oz_adjust = 0.0\n Allocate( cloud_fraction(nlongitude,nlatitude), stat=stat_allocate )\n If ( stat_allocate .ne. 0 ) Then\n xmsg = 'error allocating cloud_fraction'\n write(6,'(a)')xmsg\n Stop \n End If\n Allocate( o3_missing(nlongitude,nlatitude), stat=stat_allocate )\n If ( stat_allocate .ne. 0 ) Then\n xmsg = 'error allocating oz_missing'\n write(6,'(a)')xmsg\n Stop \n End If\n Allocate( lat_ioapi(nlongitude,nlatitude), stat=stat_allocate )\n If ( stat_allocate .ne. 0 ) Then\n xmsg = 'error allocating lat_ioapi'\n write(6,'(a)')xmsg\n Stop \n End If\n Allocate( lat_expand(2*nlatitude),lon_expand(2*nlongitude) , stat=stat_allocate )\n If ( stat_allocate .ne. 0 ) Then\n xmsg = 'error allocating lat_expand,lon_expand'\n write(6,'(a)')xmsg\n Stop \n End If\n\n End Subroutine Init_Arrays\n subroutine get_mean()\n Implicit None\n \n real(8), parameter :: zero_limit = 3.1416d0\n\n real(8), allocatable :: weigth(:,:)\n \n! local: \n integer :: nlat\n integer :: nlon\n integer :: n,iread\n integer :: iozone\n integer :: line_number\n integer :: ilon\n\n integer :: mod_read\n integer :: rem_read\n\n real( 8 ) :: oz_min\n\n nlat = size(lat_omi)\n nlon = size(lon_omi)\n\n allocate( weigth(nlat,nlon) )\n \n oz_mean = 0.0d0\n mod_read = nlongitude/25\n rem_read = mod(nlongitude, 25)\n If( TOMS_FORMAT )oz_toms = 0\n\n rewind(io_files)\n do n = 1,nfiles\n read(io_files,'(a)')OMI_filename(n)\n write(6,'(a)')OMI_filename(n)\n open(file=OMI_filename(n),newunit = iozone)\n line_number = 0\n If( TOMS_FORMAT )Then\n Do i = 1, 3\n line_number = line_number + 1\n read(iozone,'(a)',end=9503)file_line\n End Do\n Do i = nlat,1,-1\n line_number = line_number + 1\n ilon = 0\n do iread = 1, mod_read\n read(iozone,'(a)',err=9501,end=9503,advance='yes')file_line\n read(file_line,'(1x,25i3)',err=9502)(oz_toms(ilon+k),k = 1, 25)\n ilon = ilon + 25\n end do\n read(iozone,'(a)',err=9501,end=9503,advance='yes')file_line\n read(file_line,'(1x,25i3)',err=9502)(oz_toms(ilon+k),k = 1, rem_read)\n ilon = ilon + rem_read\n oz(i,1:nlongitude) = real( oz_toms(1:nlongitude),8)\n End Do\n Else\n read(iozone,*)\n oz = 0.d0\n do i = nlat,1,-1\n read(iozone,*)rowheader,(oz(i,k),k=1,nlon)\n end do\n End If\n \n close(iozone)\n print*,'maxval(oz) = ', maxval(oz)\n do i = 1, nlat\n do j = 1, nlon\n if( oz(i,j) .le. 1.0d-3 )cycle\n weigth(i,j) = 1.0d0 + weigth(i,j)\n oz_mean(i,j) = oz(i,j) + oz_mean(i,j)\n end do\n end do\n \n end do\n oz_min = 1.0d8\n do i = 1, nlat\n do j = 1, nlon\n if( weigth(i,j) .le. 0.0d0 )cycle\n oz_mean(i,j) = oz_mean(i,j) / weigth(i,j)\n if( oz_mean(i,j) .Gt. 1 .And. oz_mean(i,j) .Lt. oz_min )oz_min = oz_mean(i,j)\n end do\n end do\n\n where( oz_mean .lt. oz_min ) oz_mean = oz_min\n\n! do i = 1, nlat\n! write(6,'(25(i3,1x))')(int(oz_mean(i,j)),j = 1, nlon)\n! end do\n! print*,'For mean, sum(weigth):maxval(weigth) = ',sum(weigth),\":\",maxval(weigth)\n rewind(io_files)\n! fill in missing values with nearest neighbors\n if( near_neighbor ) then \n call fill(phi_omi, theta_omi, oz_mean, fill_limit)\n end if\n\n deallocate( weigth )\n return\n9501 write(6,'(2a)')'Error reading file: ',Trim( OMI_filename(n) )\n write(6,'(a,i7)')'at line number: ',line_number\n Stop\n9502 write(6,'(2a)')'Error reading file: ',Trim( OMI_filename(n) )\n write(6,'(a,i7)')'Cannot data at line number:',line_number\n write(6,'(a)')Trim(file_line)\n Stop\n9503 write(6,'(2a)')'Premature File End in ',Trim( OMI_filename(n) )\n write(6,'(a,i7)')'at line number: ',line_number-1\n print*,'Last line read: ',Trim(file_line)\n write(6,'(a,i7)')'Expected number of lines: ',\n & nlatitude*int(nlongitude/25)+nlatitude+3\n Stop\n end subroutine get_mean\n subroutine expand_init()\n Implicit None\n\n lat_expand = 0.0\n icount = 0\n do i = 1, ( (size( lat_expand ) + 1)/2 - 1 ) ! 179\n icount = icount + 1\n lat_expand( icount ) = lat_omi( i ) \n icount = icount + 1\n lat_expand( icount ) = 0.5*(lat_omi( i )+ lat_omi( i+1 ))\n end do\n icount = icount + 1\n lat_expand( icount ) = lat_omi( i ) \n lon_expand = 0.0\n icount = 0\n do i = 1, ( size( lon_expand )/2 - 1 ) ! 359\n icount = icount + 1\n lon_expand( icount ) = lon_omi( i ) \n icount = icount + 1\n lon_expand( icount ) = 0.5*(lon_omi( i )+ lon_omi( i+1 ))\n end do\n icount = icount + 1\n lon_expand( icount ) = lon_omi( nlongitude ) \n icount = icount + 1\n lon_expand( icount ) = 0.5*(lon_omi( nlongitude )+lon_omi( 1 ))+180.0\n\n end subroutine expand_init\n subroutine expand_grid()\n Implicit None\n icount = 0\n oz_expand = -1.0d0\n ipass = 1\n do i = 1,nlatitude\n ip1 = i + 1\n icount = icount + 1 \n jcount = 0\n do k = 1,nlongitude\n jcount = jcount + 1\n kp1 = max(mod(k+1,nlongitude), 1)\n oz_expand(icount,jcount) = oz(i,k)\n w = 0.5d0\n if( oz(i,k) .lt. 0.0d0 ) w(1) = 0.0d0\n if( oz(i,kp1) .lt. 0.0d0 ) w(2) = 0.0d0\n if( sum( w ) .gt. 1.0d-4 )then\n oz_expand(icount,jcount+1) = (w(1)*oz(i,k)+w(2)*oz(i,kp1))\n & / sum( w )\n end if\n if( ip1 .gt. nlatitude )cycle\n w = 0.5d0\n if( oz(ip1,k) .lt. 0.0d0 )w(1) = 0.0d0\n if( oz(i,k) .lt. 0.0d0 )w(2) = 0.0d0\n if( sum( w ) .gt. 1.0d-4 )then\n oz_expand(icount+1,jcount) = (w(1)*oz(ip1,k)+w(2)*oz(i,k))\n & / sum( w )\n end if \n v = 0.25d0\n if( oz(i ,k ) .lt. 0.0d0 ) v(1) = 0.0d0\n if( oz(ip1,k ) .lt. 0.0d0 ) v(2) = 0.0d0\n if( oz(i ,kp1) .lt. 0.0d0 ) v(3) = 0.0d0\n if( oz(i+1,kp1) .lt. 0.0d0 ) v(4) = 0.0d0\n if( sum( v ) .gt. 1.0d-4 )then\n oz_expand(icount+1,jcount+1) = (v(1)*oz(i,k)+v(2)*oz(ip1,k)\n & + v(3)*oz(i,kp1)+v(4)*oz(ip1,kp1))\n & / sum( v )\n end if \n jcount = jcount + 1\n end do\n icount = icount + 1 \n end do\n\n\n555 format(f10.4,f7.1,720i7)\n650 format(a19,720f7.1) \n end subroutine expand_grid\n End Program Omi \n" }, { "path": "PREP/create_omi/src/get_env_vars.F", "content": "\n MODULE GET_ENV_VARS\n\n IMPLICIT NONE\n PUBLIC :: GET_ENV_STRING, GET_ENV_FLAG, GET_ENV_INT, GET_ENV_REAL,\n & GET_ENVLIST, VALUE_NAME, GET_DDMONYY, NAME_INDEX\n \n INTEGER, PARAMETER, PRIVATE :: LOGDEV = 6\n INTEGER, PARAMETER, PRIVATE :: MAX_LEN_WORD = 16\n \n CONTAINS\n\n SUBROUTINE VALUE_NAME( VAR_NAME, VAR_VALUE )\n IMPLICIT NONE\n CHARACTER*(*), INTENT( IN ) :: VAR_NAME\n CHARACTER*(*), INTENT( OUT ) :: VAR_VALUE\n\n INTEGER :: STATUS\n \n CALL GET_ENV_STRING( VAR_NAME, \" \", VAR_NAME, VAR_VALUE, STATUS )\n\n END SUBROUTINE VALUE_NAME\n SUBROUTINE GET_ENV_STRING( VAR_NAME, VAR_DESC, VAR_DEFAULT, VAR_VALUE, STATUS )\n IMPLICIT NONE\n!arguments\n CHARACTER*(*), INTENT( IN ) :: VAR_NAME\n CHARACTER*(*), INTENT( IN ) :: VAR_DESC\n CHARACTER*(*), INTENT( IN ) :: VAR_DEFAULT\n CHARACTER*(*), INTENT( OUT ) :: VAR_VALUE\n INTEGER, INTENT( OUT ) :: STATUS \n!local\n CHARACTER( 586 ) :: MSG ! Message text\n\n CALL GET_ENVIRONMENT_VARIABLE( NAME=VAR_NAME, VALUE= VAR_VALUE, STATUS=STATUS, TRIM_NAME=.TRUE.)\n\n IF( STATUS .LT. 0 ) THEN\n MSG = 'ERROR in environment value for ' // TRIM( VAR_NAME )\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n ELSE IF( STATUS .EQ. 1 )THEN\n STATUS = -1\n VAR_VALUE = TRIM( VAR_DEFAULT ) \n ELSE IF( STATUS .GT. 1 )THEN\n STATUS = 1\n MSG = 'ERROR in environment value for ' // TRIM( VAR_NAME )\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n MSG = 'ERROR Processor does not support environment variables '\n WRITE(LOGDEV,'(a)')\n END IF\n IF( STATUS .EQ. 0 )THEN\n MSG = ' Value for ' // TRIM( VAR_NAME ) // ': ' // TRIM( VAR_VALUE )\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n END IF\n\n END SUBROUTINE GET_ENV_STRING\n LOGICAL FUNCTION GET_ENV_FLAG( VAR_NAME, VAR_DESC, VAR_DEFAULT, STATUS )\n IMPLICIT NONE\n!arguments\n CHARACTER*(*), INTENT( IN ) :: VAR_NAME\n CHARACTER*(*), INTENT( IN ) :: VAR_DESC\n LOGICAL, INTENT( IN ) :: VAR_DEFAULT\n INTEGER, INTENT( OUT ) :: STATUS \n!local\n CHARACTER( 586 ) :: MSG ! Message text\n CHARACTER( 1 ) :: VAR_VALUE\n CHARACTER( 5 ) :: REPLY\n\n CALL GET_ENVIRONMENT_VARIABLE( NAME=VAR_NAME, VALUE= VAR_VALUE, STATUS=STATUS, TRIM_NAME=.TRUE.)\n\n IF( STATUS .LT. 0 ) THEN\n MSG = 'ERROR in environment value for ' // TRIM( VAR_NAME )\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n STATUS = 1\n ELSE IF( STATUS .EQ. 1 )THEN\n STATUS = -1\n GET_ENV_FLAG = VAR_DEFAULT\n WRITE(LOGDEV,' (A,L)')'Environment Variable '\n & // TRIM( VAR_NAME ) // ' missing.'\n & // ' Using default value of ',VAR_DEFAULT\n STATUS = -1\n ELSE IF( STATUS .GT. 1 )THEN\n STATUS = 1\n MSG = 'ERROR in environment value for ' // TRIM( VAR_NAME )\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n MSG = 'ERROR Processor does not support environment variables '\n WRITE(LOGDEV,'(a)')\n ELSE\n STATUS = 0 \n IF( VAR_VALUE(1:1) .EQ. 'T' .OR. VAR_VALUE(1:1) .EQ. 'Y' )THEN\n GET_ENV_FLAG = .TRUE.\n ELSE IF( VAR_VALUE(1:1) .EQ. 't' .OR. VAR_VALUE(1:1) .EQ. 'y' )THEN\n GET_ENV_FLAG = .TRUE.\n ELSE IF( VAR_VALUE(1:1) .EQ. 'F' .OR. VAR_VALUE(1:1) .EQ. 'N' )THEN\n GET_ENV_FLAG = .FALSE.\n ELSE IF( VAR_VALUE(1:1) .EQ. 'f' .OR. VAR_VALUE(1:1) .EQ. 'n' )THEN\n GET_ENV_FLAG = .FALSE.\n ELSE \n WRITE(LOGDEV,' (A,L)')'Environment Variable '\n & // TRIM( VAR_NAME ) // ' must equal T, Y, F, or N.'\n & // ' Using default value of ',VAR_DEFAULT\n STATUS = -1\n GET_ENV_FLAG = VAR_DEFAULT\n END IF\n END IF\n IF( STATUS .EQ. 0 )THEN\n IF( GET_ENV_FLAG )THEN\n REPLY = 'TRUE '\n ELSE\n REPLY = 'FALSE'\n END IF\n WRITE(MSG,'(a,L1,a)')' Value for ' // TRIM( VAR_NAME ) // ': ',GET_ENV_FLAG,\n & ' returning ' // REPLY\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n END IF \n\n END FUNCTION GET_ENV_FLAG\n INTEGER FUNCTION GET_ENV_INT( VAR_NAME, VAR_DESC, VAR_DEFAULT, STATUS )\n IMPLICIT NONE\n!arguments\n CHARACTER*(*), INTENT( IN ) :: VAR_NAME\n CHARACTER*(*), INTENT( IN ) :: VAR_DESC\n INTEGER, INTENT( IN ) :: VAR_DEFAULT\n INTEGER, INTENT( OUT ) :: STATUS \n!local\n CHARACTER( 120 ) :: MSG ! Message text\n CHARACTER( 120 ) :: VAR_VALUE\n CHARACTER( 5 ) :: REPLY\n \n INTEGER :: READ_VALUE\n\n CALL GET_ENVIRONMENT_VARIABLE( NAME=VAR_NAME, VALUE= VAR_VALUE, STATUS=STATUS, TRIM_NAME=.TRUE.)\n\n IF( STATUS .LT. 0 ) THEN\n MSG = 'ERROR in environment value for ' // TRIM( VAR_NAME )\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n STATUS = 1\n ELSE IF( STATUS .EQ. 1 )THEN\n STATUS = -1\n GET_ENV_INT = VAR_DEFAULT\n WRITE(LOGDEV,' (A,I8)')'Environment Variable '\n & // TRIM( VAR_NAME ) // ' missing.'\n & // ' Using default value of ',VAR_DEFAULT\n ELSE IF( STATUS .GT. 1 )THEN\n STATUS = 1\n MSG = 'ERROR in environment value for ' // TRIM( VAR_NAME )\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n MSG = 'ERROR Processor does not support environment variables '\n WRITE(LOGDEV,'(a)')\n ELSE\n STATUS = 0 \n READ(VAR_VALUE , *)READ_VALUE\n GET_ENV_INT = READ_VALUE\n WRITE(MSG,'(a,I8)')' Value for ' // TRIM( VAR_NAME ) // ': ',\n & GET_ENV_INT\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n END IF\n\n END FUNCTION GET_ENV_INT\n REAL FUNCTION GET_ENV_REAL( VAR_NAME, VAR_DESC, VAR_DEFAULT, STATUS )\n IMPLICIT NONE\n!arguments\n CHARACTER*(*), INTENT( IN ) :: VAR_NAME\n CHARACTER*(*), INTENT( IN ) :: VAR_DESC\n REAL, INTENT( IN ) :: VAR_DEFAULT\n INTEGER, INTENT( OUT ) :: STATUS \n!local\n CHARACTER( 120 ) :: MSG ! Message text\n CHARACTER( 120 ) :: VAR_VALUE\n CHARACTER( 5 ) :: REPLY\n\n CALL GET_ENVIRONMENT_VARIABLE( NAME=VAR_NAME, VALUE= VAR_VALUE, STATUS=STATUS, TRIM_NAME=.TRUE.)\n\n IF( STATUS .LT. 0 ) THEN\n MSG = 'ERROR in environment value for ' // TRIM( VAR_NAME )\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n STATUS = 1\n ELSE IF( STATUS .EQ. 1 )THEN\n STATUS = -1\n GET_ENV_REAL = VAR_DEFAULT\n WRITE(LOGDEV,' (A,ES13.6)')'Environment Variable '\n & // TRIM( VAR_NAME ) // ' missing.'\n & // ' Using default value of ',VAR_DEFAULT\n ELSE IF( STATUS .GT. 1 )THEN\n STATUS = 1\n MSG = 'ERROR in environment value for ' // TRIM( VAR_NAME )\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n MSG = 'ERROR Processor does not support environment variables '\n WRITE(LOGDEV,'(a)')\n ELSE\n STATUS = 0 \n READ(VAR_VALUE,*)GET_ENV_REAL\n WRITE(MSG,'(a,ES12.4)')' Value for ' // TRIM( VAR_NAME ) // ': ',\n & GET_ENV_REAL\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n END IF\n\n END FUNCTION GET_ENV_REAL\n SUBROUTINE GET_DDMONYY(DATE)\n\n IMPLICIT NONE\n CHARACTER(*), INTENT(INOUT) :: DATE\n\n CHARACTER( 2 ) :: DD\n CHARACTER( 3 ) :: MONS(1:12)\n CHARACTER( 4 ) :: YYYY\n INTEGER :: STIME, VALUES(8)\n\n MONS = (/'Jan','Feb','Mar','Apr','May','Jun',\n & 'Jul','Aug','Sep','Oct','Nov','Dec' /)\n\n CALL DATE_AND_TIME(VALUES=VALUES)\n\n WRITE( DD,'(I2)') VALUES(3)\n! DD = '00' \n WRITE(YYYY,'(I4)') (0 + VALUES(1))\n\n PRINT*,MONS(VALUES(2)) // DD // YYYY(1:4) \n DATE = MONS(VALUES(2)) // ' ' // DD // ', ' // YYYY(1:4)\n\n END SUBROUTINE GET_DDMONYY\n INTEGER FUNCTION NAME_INDEX( NAME, N_NAMES, NAMES )\n IMPLICIT NONE\n \n CHARACTER(*), INTENT( IN ) :: NAME\n CHARACTER(*), INTENT( IN ) :: NAMES( : )\n INTEGER, INTENT( IN ) :: N_NAMES\n\n INTEGER :: N,M\n\n NAME_INDEX = 0\n\n M = SIZE( NAMES )\n IF( M .LT. 1 )RETURN\n\n DO N = 1, M\n IF( NAME .EQ. NAMES( N ) )THEN\n NAME_INDEX = N\n RETURN\n END IF\n END DO\n RETURN\n END FUNCTION NAME_INDEX\n SUBROUTINE GET_ENVLIST ( ENV_VAR, NVARS, VAL_LIST, STATUS )\n\nC get a list env var (quoted string of items delimited by white space,\nC commas or semi-colons) and parse out the items into variables. Two data\nC types: character strings and integers (still represented as strings in\nC the env var vaules).\nC Examples:\nC 1) setenv AVG_CONC_VARS \"O3 NO NO2\"\nC 2) setenv AVG_CONC_LAYS \"2 5\" < start at two, end at 5\nC 3) setenv NPCOLSXNPROWS \"4 3\"\nC 4) setenv BCOL_ECOL \"3 8\"\nC 5) setenv BROW_EROW \"2 10\"\nC 6) setenv BLAY_ELAY \"1 5\"\n\nC In example (1), not only parse out the named items \"O3\", \"NO\" and \"NO2\",\nC but also obtain the count on the number of itmes (=3).\n\n! Revision: 2013/02/11 David Wong: increased the max env var length from 256 to 1000\n! 13 Dec 2013 J.Young: 1000 breaks BUFLEN in IOAPI's envgets.c. Change to 512.\n! 17 Jun 2016 J.Young: IOAPI's envgets.c BUFLEN has been increased to 10000.\n! 20 Jun 2016 J.Young: Forget IOAPI's envgets.c: use Fortran GETENV\n! 16 Mar 2018 B.Hutzell: Removed IOAPI, changed from GOTO to Do loop, and \n! from GETENV to GET_ENVIRONMENT_VARIABLE intrinsic\n IMPLICIT NONE\n \n CHARACTER( * ), INTENT ( IN ) :: ENV_VAR\n INTEGER, INTENT ( OUT ) :: NVARS\n CHARACTER( * ), INTENT ( OUT ) :: VAL_LIST( : )\n INTEGER, INTENT ( OUT ) :: STATUS \n \n INTEGER :: MAX_LEN \n INTEGER :: LEN_EVAL\n CHARACTER( 16 ) :: PNAME = 'GET_ENVLIST'\n CHARACTER( 1 ) :: CHR\n CHARACTER( 132) :: XMSG\n\n CHARACTER( MAX_LEN_WORD*SIZE( VAL_LIST ) ) :: E_VAL\n \n INTEGER :: JP( MAX_LEN_WORD*SIZE( VAL_LIST ) )\n INTEGER :: KP( MAX_LEN_WORD*SIZE( VAL_LIST ) )\n INTEGER :: IP, V\n \n MAX_LEN = MAX_LEN_WORD * ( SIZE( VAL_LIST ) + 1 ) ! multiple by 17 to allow deliminator\nC env_var_name\nC | env_var_value\nC | |\n! CALL GETENV( ENV_VAR, E_VAL )\nC env_var_name\nC | env_var_value\nC | |\n CALL GET_ENVIRONMENT_VARIABLE( NAME=ENV_VAR, VALUE=E_VAL, STATUS=STATUS, TRIM_NAME=.TRUE.)\n IF( STATUS .LT. 0 ) THEN\n XMSG = 'ERROR in environment value for ' // TRIM( ENV_VAR )\n WRITE(LOGDEV,'(a)')TRIM( XMSG )\n STATUS = 1\n STOP \n ELSE IF( STATUS .EQ. 1 )THEN\n STATUS = -1\n RETURN\n ELSE IF( STATUS .GT. 1 )THEN\n STATUS = 1\n XMSG = 'ERROR in environment value for ' // TRIM( ENV_VAR )\n WRITE(LOGDEV,'(a)')TRIM( XMSG )\n XMSG = 'ERROR Processor does not support environment variables '\n WRITE(LOGDEV,'(a)')\n STOP\n END IF\n \n IF ( E_VAL .EQ. \" \" ) THEN\n STATUS = 1\n XMSG = 'Environment variable ' // ENV_VAR // ' not set'\n WRITE(LOGDEV,'(A,I8)')TRIM( XMSG ), SIZE( VAL_LIST )\n NVARS = 0\n RETURN\n END IF\n STATUS = 0\n\nC Parse:\n\n NVARS = 1\n\nC don't count until 1st char in string\n \n IP = 0\n LEN_EVAL = LEN_TRIM( E_VAL ) \n IF ( LEN_EVAL .GT. MAX_LEN ) THEN\n XMSG = TRIM( PNAME ) // ': The Environment variable, '\n & // TRIM( ENV_VAR ) // ', has too long, greater than ' \n WRITE(LOGDEV,'(A,I8)')TRIM( XMSG ), MAX_LEN\n STOP\n END IF\n101 LOOP_101: DO ! read list\n IP = IP + 1\n IF ( IP .GT. LEN_EVAL ) EXIT LOOP_101\n CHR = E_VAL( IP:IP )\n IF ( CHR .EQ. ' ' .OR. ICHAR ( CHR ) .EQ. 09 ) CYCLE LOOP_101\n IF( NVARS .GT. SIZE( VAL_LIST ) )THEN\n XMSG = TRIM( PNAME ) // ':ERROR: Number of values in List, ' \n & // TRIM( ENV_VAR ) \n & // ', greater than the size of its storage array, '\n WRITE(LOGDEV,'(A,I4)')TRIM( XMSG ), SIZE( VAL_LIST )\n STOP \n END IF\n JP( NVARS ) = IP ! 1st char \n201 LOOP_201: DO ! read word\n IP = IP + 1\n IF ( IP .GT. LEN_EVAL ) EXIT LOOP_101\n CHR = E_VAL( IP:IP )\n IF ( CHR .NE. ' ' .AND.\n & CHR .NE. ',' .AND.\n & CHR .NE. ';' .OR.\n & ICHAR ( CHR ) .EQ. 09 ) THEN ! 09 = horizontal tab\n CYCLE LOOP_201\n ELSE ! last char in word\n V = JP( NVARS ) - KP( NVARS ) + 1\n KP( NVARS ) = IP - 1 \n IF( V .GT. MAX_LEN_WORD )THEN\n XMSG = 'The word, ' // E_VAL( JP(NVARS):KP(NVARS) ) \n & // ', in environment list, ' // TRIM( ENV_VAR )\n & // ', is too long, greater than '\n WRITE(LOGDEV,'(A,I2)')TRIM( XMSG ), MAX_LEN_WORD\n STOP\n END IF\n NVARS = NVARS + 1\n EXIT LOOP_201\n END IF \n END DO LOOP_201\n END DO LOOP_101\n \n NVARS = NVARS - 1\n IF( NVARS .GT. SIZE( VAL_LIST ) )THEN\n XMSG = TRIM( PNAME ) // ':ERROR: Number of values in List, ' \n & // TRIM( ENV_VAR ) // ', greater than '\n WRITE(LOGDEV,'(A,I4)')TRIM( XMSG ), SIZE( VAL_LIST )\n STOP \n END IF\n \n DO V = 1, NVARS\n VAL_LIST( V ) = E_VAL( JP( V ):KP( V ) )\n END DO\n\n RETURN \n END SUBROUTINE GET_ENVLIST \n END MODULE GET_ENV_VARS\n" }, { "path": "PREP/create_omi/src/module_envvar.F", "content": "\n MODULE ENV_VARS\n\n IMPLICIT NONE\n \n CHARACTER( 15 ) :: CR_DATE ! Run date\n\n character(256) :: OMI_FILE_LIST \n character(256) :: OMI_FULL_DAT \n character(256) :: OMI_CMAQ_DAT \n\n CHARACTER( 256 ) :: OUTPATH ! Output directory\n \n INTEGER :: NPOINTS_LAT = 17\n INTEGER :: NPOINTS_LON = 17\n \n REAL :: LAT_BORDER = 10.0\n\n LOGICAL :: LUSE_PREV_DATE ! Flag to replace missing with previous date\n LOGICAL :: LUSE_NEIGHBORS ! Flag to use nearest neighbor average\n LOGICAL :: CREATE_FULL_FILES ! Flag to create ASCII and Netcdf files with \n ! Lat/Lon resolution of observations\n\n\n INTEGER, PARAMETER :: LOGDEV = 6\n \n CONTAINS\n\n SUBROUTINE GET_ENVS\nC*************************************************************************\nC\nC FUNCTION: Gets environment variables\nC \nC PRECONDITIONS: None\nC \nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by Jerry Gipson, February, 2004\nC Modified Nov 04 by JG to get group species names\nC vi environment variables\nC Modified Dec 09 by JG to remove reset of LERROR to\nC false for each species name retrieval\nC Modified Dec 09 by JG to allow for inclusion\nC of NO2EX cycle in Groups 1 and 2\nC \nC*************************************************************************\n\n\n USE GET_ENV_VARS ! IOAPI parameters and functions declarations\n\n IMPLICIT NONE\n\nC..INCLUDES: None\n \nC..ARGUMENTS: None\n \nC..PARAMETERS: None\n\nC..EXTERNAL FUNCTIONS: None\n\nC..SAVED LOCAL VARIABLES: None\n\nC..SCRATCH LOCAL VARIABLES:\n\n CHARACTER( 16 ) :: PNAME = 'GET_ENVS' ! Program Name\n\n CHARACTER( 5 ) :: TZ ! Time zone\n CHARACTER( 16 ) :: ENV_DFLT ! Environment variable default value\n CHARACTER( 24 ) :: TIMNDAT ! Wall clock time and date\n CHARACTER( 80 ) :: ENV_DESC ! Environment variable description\n CHARACTER( 80 ) :: MSG ! Message text\n CHARACTER( 256 ) :: RET_VAL ! Returned value of env var\n\nc........env var names \n! CHARACTER( 16 ) :: OUTDIR = 'OUTDIR'\n CHARACTER( 16 ) :: USE_PREV_DATE = 'PREV_DATE'\n CHARACTER( 16 ) :: USE_NEIGHBORS = 'NEIGHBORS'\n CHARACTER( 16 ) :: FULL_FILES = 'FULL_FILES'\n character( 16 ) :: OMI_FILE = 'OMI_FILE_LIST'\n character( 16 ) :: OMI_FULL = 'OMI_FULL_DAT'\n character( 16 ) :: OMI_CMAQ = 'OMI_CMAQ_DAT'\n\n character( 16 ) :: NLAT_OMI = 'NLAT_OMI'\n character( 16 ) :: NLON_OMI = 'NLON_OMI'\n character( 16 ) :: BORDER_LAT = 'LAT_BORDER'\n\n INTEGER :: EPOS ! String end position\n INTEGER :: IO_STATUS ! Status code\n INTEGER :: IDATE ! Wall-clock date\n INTEGER :: ITIME ! Wall clock time\n\n LOGICAL :: LERROR ! Error Flag\n\n\nC**********************************************************************\n\n LERROR = .FALSE.\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get the time and date to be used as the time stamp for all outputs;\nc Convert from GMT to EDT or EST\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n CALL GET_DDMONYY(CR_DATE)\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get the name of the output directory and template directory\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n! ENV_DFLT = './output'\n! ENV_DESC = 'Output directory' \n! CALL GET_ENV_STRING( OUTDIR, ENV_DESC, ENV_DFLT, OUTPATH, IO_STATUS)\n\n! IF( IO_STATUS .GT. 0 ) THEN\n! MSG = 'ERROR: no path assigned to OUTDIR'\n! WRITE(LOGDEV,'(a)')TRIM( MSG )\n! END IF\n\n ENV_DFLT = './omi_file.txt'\n ENV_DESC = 'file list OMI data file' \n CALL GET_ENV_STRING( OMI_FILE, ENV_DESC, ENV_DFLT, OMI_FILE_LIST, IO_STATUS)\n\n IF( IO_STATUS .NE. 0 ) THEN\n MSG = 'ERROR: no path assigned to file listing omi files'\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n LERROR = .TRUE.\n END IF\n\n CREATE_FULL_FILES = .FALSE.\n ENV_DESC = 'Output files include ASCII and IOAPI files at Observed Lat/Lon Resolution.'\n CREATE_FULL_FILES = GET_ENV_FLAG( FULL_FILES, ENV_DESC, CREATE_FULL_FILES, IO_STATUS )\n \n IF( CREATE_FULL_FILES )THEN\n ENV_DFLT = './omi_full.dat'\n ENV_DESC = 'full resolution OMI data in ascii format' \n CALL GET_ENV_STRING( OMI_FULL, ENV_DESC, ENV_DFLT, OMI_FULL_DAT, IO_STATUS)\n IF( IO_STATUS .NE. 0 ) THEN\n MSG = 'ERROR: no path assigned to full resolution OMI data file'\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n END IF\n END IF\n\n! ENV_DFLT = './omi_full.ncf'\n! ENV_DESC = 'full resolution OMI data in IOAPI format' \n! CALL GET_ENV_STRING( 'OMI_FULL_NCF', ENV_DESC, ENV_DFLT, OMI_FULL_NCF, IO_STATUS)\n\n! IF( IO_STATUS .NE. 0 ) THEN\n! MSG = 'ERROR: no path assigned to full resolution IOAPI OMI file'\n! WRITE(LOGDEV,'(a)')TRIM( MSG )\n! END IF\n\n ENV_DFLT = './omi_cmaq.dat'\n ENV_DESC = 'subset of OMI data for CMAQ' \n CALL GET_ENV_STRING( OMI_CMAQ, ENV_DESC, ENV_DFLT, OMI_CMAQ_DAT, IO_STATUS)\n\n IF( IO_STATUS .NE. 0 ) THEN\n MSG = 'ERROR: no path assigned to subset OMI data file'\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n END IF\n\n ENV_DESC = 'Number of latitude points in output file' \n NPOINTS_LAT = GET_ENV_INT( NLAT_OMI, ENV_DESC, NPOINTS_LAT, IO_STATUS )\n IF( IO_STATUS .NE. 0 ) THEN\n MSG = 'ERROR: in environment variable: ' // TRIM( NLAT_OMI )\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n END IF\n\n ENV_DESC = 'Number of longitude points in output file' \n NPOINTS_LON = GET_ENV_INT( NLON_OMI, ENV_DESC, NPOINTS_LON, IO_STATUS )\n IF( IO_STATUS .NE. 0 ) THEN\n MSG = 'ERROR: in environment variable: ' // TRIM( NLON_OMI )\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n END IF\n\n ENV_DESC = 'Distance of first and last latitude point from nearest pole (degrees)' \n LAT_BORDER = GET_ENV_REAL( BORDER_LAT, ENV_DESC, LAT_BORDER, IO_STATUS )\n IF( IO_STATUS .NE. 0 ) THEN\n MSG = 'ERROR: in environment variable: ' // TRIM( BORDER_LAT )\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get the flags for replacing missing values\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n LUSE_PREV_DATE = .TRUE.\n ENV_DESC = 'replace missing values with last available value'\n LUSE_PREV_DATE = GET_ENV_FLAG( USE_PREV_DATE, ENV_DESC, LUSE_PREV_DATE, IO_STATUS )\n\n LUSE_NEIGHBORS = .FALSE.\n ENV_DESC = 'replace missing values with weighted average of nearest neighbors'\n LUSE_NEIGHBORS = GET_ENV_FLAG( USE_NEIGHBORS, ENV_DESC, LUSE_NEIGHBORS, IO_STATUS )\n\n IF( LERROR )THEN\n WRITE(LOGDEV,'(a)')'See above error in environment variables'\n STOP\n END IF\n\n RETURN\n\n92000 FORMAT( /2X, 'The following mechanism versions will be created:' \n & / A / 1X )\n\n END SUBROUTINE GET_ENVS\n\n END MODULE ENV_VARS\n" }, { "path": "PREP/create_omi/src/module_utilities.f", "content": " Module utilities_module\n\n Implicit None\n\n Contains\n\n!*********************************************************************** \n subroutine get_OMI_listsize(rawfilename,nfiles)\n implicit none\n!arguments:\n character*(*), intent( in ) :: rawfilename\n integer, intent( out ) :: nfiles\n!local:\n character(1) a(256)\n character(8) date(10000)\n\n\n a(:)='a'\n write(6,'(a)')'OMI File List = ' // Trim( rawfilename )\n open(7,file=rawfilename,status='old')\n\n do 90 nfiles = 1,10000\n read(7,150,end=100)a(1:1)\n90 continue \n100 nfiles = nfiles-1\n print*,'Number of Raw data to be processed = ', nfiles\n if(nfiles .lt. 1 )STOP\n\n! rewind(7)\n! do 190 j = 1,nfiles \n! read(7,150)(a(i),i=1,18) \n! write(9,150)(a(i),i=11,18)\n150 format(18a1)\n!190 continue\n close(7)\n return\n end subroutine get_OMI_listsize\n!***********************************************************************\n!***********************************************************************\n subroutine julian_date (year,month,day,julday,yrfrac)\n\nc input year, month, day\nc returns julian_date day (julday), year fraction (yrfrac)\n\n implicit none\n integer, intent( in ) :: year, day, month\n integer, intent( out ) :: julday\n real(8), intent( out ) :: yrfrac\n\n integer yrlength,leap,m4,m100,m400,\n & i\n\n integer daytab(13,2)\n data daytab / 0,31,28,31,30,31,30,31,31,30,31,30,31,\n + 0,31,29,31,30,31,30,31,31,30,31,30,31 /\n\n real(8) pi\n\n pi = dacos(-1.d0)\n leap = 1\n yrlength = 365\n m4 = mod(year,4 )\n m100 = mod(year,100)\n m400 = mod(year,400)\n if(((m4.eq.0).and.(m100.ne.0)).or.(m400.eq.0))then\n leap = 2\n yrlength = 366\n endif\n \n julday = day\n do 190 i=1,month\n julday = julday + daytab(i,leap)\n190 continue\n\n! yrfrac = (julday - 1.d0)/(real(yrlength,8))\n yrfrac = (real(julday, 8)-0.5d0)/(real(yrlength,8))\n return\n end subroutine julian_date\n Subroutine Julian_Plus_One( Jdate )\n! increments date by one day\n Implicit None\n Integer, Intent( InOut ) :: Jdate ! YYYYDDD\n Integer :: day\n Integer :: year\n Integer :: days_per_year\n \n Jdate = Jdate + 1\n year = Jdate / 1000\n day = mod(jdate, 1000 )\n If( ( mod(year,4) .eq. 0 )\n & .And. ( mod(year,100) .ne. 0 )\n & .Or. ( mod(year,400) .eq. 0 ) )Then ! leap year\n days_per_year = 366\n Else\n days_per_year = 365\n Endif\n If( day .gt. days_per_year )Then\n Jdate = Jdate + 1000 - day + 1\n End If\n End Subroutine Julian_Plus_One\n Integer Function Delta_Julian( JDate1, Jdate2 )\n! returns JDate1 minus Jdate2 \n Implicit None\n Integer, Intent( In ) :: Jdate1\n Integer, Intent( In ) :: Jdate2\n!local\n Integer :: ldate1, ldate2 \n Integer :: year1, year2\n Integer :: day1, day2\n Integer :: iyear\n \n Delta_Julian = 0\n If( Jdate1 .Eq. Jdate2 )Return\n\n ldate2 = jdate1\n ldate1 = jdate2\n\n year1 = ldate1 / 1000\n year2 = ldate2 / 1000\n day1 = ldate1 - year1 * 1000\n day2 = ldate2 - year2 * 1000\n\n If( year1 .Eq. year2 )Then\n Delta_Julian = day2 - day1\n Return\n End If\n If( ( mod(year1,4) .eq. 0 )\n & .And. ( mod(year1,100) .ne. 0 )\n & .Or. ( mod(year1,400) .eq. 0 ) )Then ! leap year\n Delta_Julian = 366 - day1 + day2\n Else\n Delta_Julian = 365 - day1 + day2\n Endif\n\n If( year1 + 1 .Eq. year2 )Return\n Do iyear = (year1 + 1), (year2 - 1)\n If( ( mod(iyear,4) .eq. 0 )\n & .And. ( mod(iyear,100) .ne. 0 )\n & .Or. ( mod(iyear,400) .eq. 0 ) )Then ! leap year\n Delta_Julian = Delta_Julian + 366\n Else\n Delta_Julian = Delta_Julian + 365\n Endif\n End Do\n \n End Function Delta_Julian\n!***********************************************************************\n logical function is_leap_year( year )\n! Function: Determines whether function is a leap year\n Implicit None\n \n Integer, Intent( In ) :: year\n \n is_leap_year = ( ( mod(year,4) .eq. 0 )\n & .And. ( mod(year,100) .ne. 0 )\n & .Or. ( mod(year,400) .eq. 0 ) )\n \n end function is_leap_year\n subroutine extract_o3_cmaq ( jdate, date, latitude, longitude, ozone_omi )\n\n!----------------------------------------------------------------------\n! Function:\n! This subroutine returns total column ozone [DU] for any lat, lon, and date,\n! by interpolating spacially and temporally between OMI/TOMS data in file\n! OMI. The interpolation of ozone between lat, lon, and time is linear.\n! If missing data are encourntered (designated as -1.0 in OMI), the \n! interpolation proceeds with available contiguous and conterminous data.\n!\n! Revision history:\n! Aug 11 J.Streicher: initial version\n! Dec 2013 S.Roselle: time-records adjusted to input file provided;\n! improved logfile reporting\n! Jun 2015 J.Young: maintain code stnds\n!----------------------------------------------------------------------\n\n USE m3utilio\n USE ENV_VARS\n\n implicit none\n\n! arguments\n integer, intent( in ) :: jdate ! julian date yyyyddd\n real(8), intent( in ) :: date ! date year plus fraction of year elapsed\n real, intent( in ) :: latitude ( : ) ! latitude of point on earth's surface\n real, intent( in ) :: longitude( : ) ! longitude of point on earth's surface\n real(8), intent( in ) :: ozone_omi( :, : ) ! omi total column ozone [DU]\n\n! parameters\n\n integer, save :: nlat = 179 ! 161 ! 179 ! 17 \n integer, save :: nlon = 361 ! 361 ! 17\n real, parameter :: pi = 3.14159265\n real, parameter :: pi_180 = pi / 180.0\n real, save :: lat_window = 1.0 ! 10.0\n\n! local variables\n\n! character( 23 ), save :: tmfile = 'OMI_CMAQ_DAT\n character( 16 ), save :: OMI_CMAQ_NCF = 'OMI_CMAQ_NCF'\n character( 16 ), save :: pname = 'O3TOT_CMAQ'\n character( 96 ) :: xmsg = ' '\n character( 96 ) :: xmsgs( 3 )\n logical, save :: firsttime = .true.\n\n integer :: allocstat\n integer :: nlat_omi\n integer :: nlon_omi\n integer :: i, j\n integer :: icount\n integer :: ios\n integer :: nrecs\n integer :: jyear\n! integer :: delta_julian\n integer :: delta_date\n\n real :: flag( 4 )\n real :: Q11, Q21\n real :: Q12, Q22\n real :: x2\n real :: x3\n real :: np_oz\n real :: sp_oz\n real :: total\n real :: latitudem\n real :: max_lat_omi, min_lat_omi\n real :: tdate_temp, tdate\n real :: stdate, enddate\n\n integer, save :: jdate_expect = 0\n integer, save :: it\n integer, save :: io_unit\n integer, save :: ilat \n integer, save :: ilon \n\n integer, allocatable, save :: jlat( : ) ! ( nlat )\n integer, allocatable, save :: jlon( : ) ! ( nlon )\n\n real, save :: dx2\n real, save :: dy2\n\n real, allocatable, save :: lat( : ) ! ( nlat )\n real, allocatable, save :: lon( : ) ! ( nlon )\n real, allocatable, save :: lon_out( : ) ! ( nlon )\n real, allocatable, save :: ozone( :,: ) ! ( nlat, nlon ) = 0.0 ! ascii file interpolated total column ozone [DU]\n real, allocatable, save :: ozone_viz( :,: ) ! ( nlon-1, nlat ) = 0.0 ! ioapi file interpolated total column ozone [DU]\n real, allocatable, save :: viz_prev ( :,: ) ! ( nlon-1, nlat ) = 0.0 ! previous value of ozone_viz\n real, allocatable, save :: viz_adjust( :,: ) ! ( nlon-1, nlat ) = 0.0 ! correction to viz_prev if \n real, allocatable, save :: dx1( : ) ! ( nlon )\n real, allocatable, save :: dy1( : ) ! ( nlat ) \n real, allocatable, save :: lon_transformed( : )\n\n character(34) :: output_format \n interface\n SUBROUTINE CREATE_CMAQ_OMI ( FILE_NAME, JDATE, LAT, LON )\n CHARACTER( 16 ), INTENT( IN ) :: FILE_NAME ! name of file \n INTEGER, INTENT( IN ) :: JDATE ! Start date of file, YYYYDDD\n REAL, INTENT( IN ) :: LAT( : ) ! center latitudes of file cells\n REAL, INTENT( IN ) :: LON( : ) ! center longtudes of file cells\n END SUBROUTINE CREATE_CMAQ_OMI\n end interface\n\n!----------------------------------------------------------------------\n\n if ( firsttime ) then\n \n firsttime = .false.\n\n! set output dimenion based on environment settings\n \n nlat = npoints_lat\n nlon = npoints_lon\n lat_window = lat_border\n \n! allocate save arrays\n\n Allocate( jlat(nlat), jlon(nlon), stat=allocstat )\n If ( allocstat .ne. 0 ) Then\n xmsg = 'error allocating jlat,jlon'\n write(6,'(a)')xmsg\n Stop \n End If\n \n Allocate( ozone(nlat,nlon), stat=allocstat )\n If ( allocstat .ne. 0 ) Then\n xmsg = 'error allocating ozone'\n write(6,'(a)')xmsg\n Stop \n End If\n ozone = 0.0\n \n Allocate( ozone_viz ( nlon-1, nlat ), \n & viz_prev ( nlon-1, nlat ), \n & viz_adjust( nlon-1, nlat ), stat=allocstat )\n If ( allocstat .ne. 0 ) Then\n xmsg = 'error allocating ozone_viz, viz_prev, viz_adjust '\n write(6,'(a)')xmsg\n Stop \n End If\n ozone_viz = 0.0\n viz_prev = 0.0\n viz_adjust = 0.0\n\n Allocate( lat(nlat), lon(nlon), \n & dy1(nlat), dx1(nlon), \n & lon_out(nlon), stat=allocstat )\n If ( allocstat .ne. 0 ) Then\n xmsg = 'error allocating lat,lon,lon_out,dx1,dy1'\n write(6,'(a)')xmsg\n Stop \n End If\n \n! Assign values to array of longitudes: lon\n\n dx2 = 360.0 / real( nlon - 1 )\n do ilon = 1, nlon\n lon_out( ilon ) = -180.0 + dx2 * real( ilon-1 )\n end do\n\n lon = lon_out \n do j = 1, nlon\n if( lon( j ) .lt. 0.0 )then\n lon( j ) = lon( j ) + 360.0\n end if\n! print*,'j,lon( j ) = ',j,lon( j )\n end do\n\n dy2 = ( 180.0 - 2.0*lat_window )/ real( nlat - 1 )\n do ilat = 1, nlat\n lat( ilat ) = 90.0 - dy2 * real( ilat - 1 ) - lat_window\n end do\n\n open( file = OMI_CMAQ_DAT, status = 'unknown', newunit = io_unit )\n write(io_unit,549)'nlat',nlat\n write(io_unit,549)'nlon',nlon\n write(output_format,'(a,i8,a)')'(2(a,tr1),',(nlon+1),'(f7.2,tr1))'\n write(io_unit,output_format)'yeardate','latitude',(lon_out(j),j=1,nlon) \n\n nlat_omi = size( latitude )\n nlon_omi = size( longitude )\n if( .Not. allocated( lon_transformed ) )then\n! print*,\" allocating lon_transformed: nlon_omi = \",size( longitude ) \n allocate( lon_transformed ( nlon_omi ) )\n end if\n\n lon_transformed = longitude\n do j = 1, nlon_omi\n if( lon_transformed( j ) .lt. 0.0 )then\n lon_transformed( j ) = lon_transformed( j ) + 360.0\n end if\n! print*,'j,lon_transformed( j ) = ',j,lon_transformed( j )\n end do\n! find the nearest longitude point\n do j = 1, nlon\n dx1( j ) = lon( j ) - lon_transformed( 1 )\n jlon( j ) = 1\n x3loop: do ilon = 2,nlon_omi\n dx2 = lon( j ) - lon_transformed( ilon )\n if( abs( dx2 ) .lt. abs( dx1( j ) ) )then\n dx1( j ) = dx2\n jlon( j ) = ilon\n end if\n end do x3loop\n! print*,'lon_transformed( jlon ),lon( j ) = ', lon_transformed( jlon( j ) ),lon( j )\n! print*,'longitude( jlon ),lon( j ) = ', longitude( jlon( j ) ),lon_out( j )\n end do\n! find the nearest latitude point\n do i = 1, nlat\n dy1( i ) = lat( i ) - latitude( 1 )\n jlat( i ) = 1\n x2loop: do ilat = 2, nlat_omi\n dy2 = lat( i ) - latitude( ilat )\n if( abs( dy2 ) .lt. abs( dy1( i ) ) )then\n dy1( i ) = dy2\n jlat(i) = ilat\n end if\n end do x2loop\n! print*,'latitude( jlat ),lat( i ) = ', latitude( jlat( i ) ),lat( i )\n end do \n! create ioapi for visualization\n call CREATE_CMAQ_OMI ( OMI_CMAQ_NCF, jdate, lat, lon_out )\n jdate_expect = jdate\n else\n call Julian_plus_One( jdate_expect )\n open( file = OMI_CMAQ_DAT, status = 'unknown', position = 'append', newunit = io_unit )\n\n end if ! firsttime\n\n\n549 Format(a4,1x,i7)\n \n\n\n! Initialize\n\n\n flag = 0.0\n ozone = 0.0\n latitudem = 0.0\n x2 = 0.0\n x3 = 0.0\n ozone = -1.0\n! max_lat_omi = maxval( latitude )\n! min_lat_omi = minval( latitude )\n\n\n\n \n do j = 1, nlon\n do i = 1, nlat\n ozone( i , j) = real( ozone_omi( jlat( i ) , jlon( j ) ) ) \n if( j .gt. nlon-1 )cycle\n ozone_viz( j, nlat-i+1 ) = ozone( i , j)\n end do\n end do\n\n If( jdate_expect .ne. jdate )Then\n! write interpolated values up to current date\n delta_date = Delta_julian( jdate, jdate_expect )\n viz_adjust = ( ozone_viz - viz_prev )/real(delta_date + 1)\n\n Do j = 1, delta_date\n viz_prev = viz_prev + viz_adjust\n If ( .not. write3( OMI_CMAQ_NCF, 'OZONE_COLUMN', jdate_expect, 0,\n & viz_prev ) ) THEN\n xmsg = 'Error writing variable OZONE_COLUMN'\n call m3exit ( pname, jdate_expect, 0, xmsg, xstat1 )\n Else\n write(6,*)'observation missing on ', jdate_expect\n write(6,*)'writing to netcdf file inpolation between observations'\n End If\n call Julian_plus_One( jdate_expect )\n End Do\n End If\n\n If ( .not. write3( OMI_CMAQ_NCF, 'OZONE_COLUMN', jdate, 0,\n & ozone_viz ) ) THEN\n xmsg = 'Error writing variable OZONE_COLUMN'\n call m3exit ( pname, jdate, 0, xmsg, xstat1 )\n End If\n\n write(output_format,'(a,i8,a)')'(f9.4,tr1,f7.1,',(nlon+1),'(i7,tr1))'\n do i = 1,nlat \n write(io_unit,output_format)date,lat(i),(nint( ozone(i,j) ),j=1,nlon) \n590 end do\n \n jdate_expect = jdate\n viz_prev = ozone_viz\n\n close( io_unit )\n return\n\n end subroutine extract_o3_cmaq \n Subroutine fill( lat, lon, values, limit)\n Implicit None\n! arguments: \n real( 8 ), intent( in ) :: lat( : ) ! latitude, radians\n real( 8 ), intent( in ) :: lon( : ) ! longitude (0 to 2PI), radians\n real( 8 ), intent( inout ) :: values( :,: ) ! quantity in lat, lon dimensions\n real( 8 ), intent( in ) :: limit ! limit on weight for computing average\n! local: \n integer :: nlat\n integer :: nlon\n integer :: i, j, k, m, n\n integer :: icount\n \n real( 8 ) :: sum_weighted\n real( 8 ) :: sum_weights\n real( 8 ) :: weight\n real( 8 ) :: p5_delta_lat\n real( 8 ) :: p5_delta_lon\n real( 8 ) :: sin2_delta_lat\n real( 8 ) :: sin2_delta_lon\n real( 8 ) :: cos_dot_lat\n real( 8 ) :: arc_length\n\n real( 8 ) :: cut_off\n \n nlat = size( lat )\n nlon = size( lon )\n \n cut_off = sin( 0.5d0*limit ) * sin( 0.5d0*limit )\n\n do i = 1, nlat\n do j = 1, nlon\n if( values( i, j ) .gt. 0.0d0 )then\n! print*,'invalid at i,j = ',i,j\n cycle\n else\n! print*,'invalid at i,j = ',i,j\n end if\n! attempt to replace with average based on nearest neighbors \n sum_weights = 0.0d0\n sum_weighted = 0.0d0\n icount = 0\n do m = 1, nlat\n p5_delta_lat = abs(lat(i)-lat(m))\n! write(6,'(a,10(es12.4,1x))')'fill: p5_delta_lat = ', p5_delta_lat\n if( p5_delta_lat .gt. limit )cycle\n p5_delta_lat = 0.5d0*p5_delta_lat\n sin2_delta_lat = sin(p5_delta_lat)*sin(p5_delta_lat)\n cos_dot_lat = cos(lat(i))*cos(lat(m))\n! write(6,'(a,10(es12.4,1x))')'fill: p5_delta_lat,sin2_delta_lat,sin2_delta_lon,cos_dot_lat = ',\n! & p5_delta_lat,sin2_delta_lat,cos_dot_lat\n do n = 1, nlon\n if( i .eq. m .and. j .eq. n )cycle\n if( values( m,n ) .le. 0.0d0 )cycle\n! set up factors for geodesic arc length\n p5_delta_lon = 0.5d0*abs(lon(j)-lon(n))\n sin2_delta_lon = sin(p5_delta_lon)*sin(p5_delta_lon)\n arc_length = sin2_delta_lat+cos_dot_lat*sin2_delta_lon\n if( arc_length .gt. cut_off )cycle\n arc_length = 2.0d0 * asin( sqrt(arc_length) )\n icount = icount + 1\n! write(6,'(a,14(es12.4,1x))')'fill: p5_delta_lon,sin2_delta_lon,arc_length = ',\n! & lat(i),lon(j),lat(m),lon(n),p5_delta_lon,sin2_delta_lon,arc_length\n weight = exp( -arc_length*arc_length )\n sum_weights = sum_weights + weight\n sum_weighted = sum_weighted + weight*values(m,n)\n end do\n end do\n if( sum_weights .gt. 0.0d0 )then\n values(i,j) = sum_weighted / sum_weights\n end if\n end do\n end do\n return \n End Subroutine fill\n\n End Module utilities_module\n" }, { "path": "PREP/icon/README.md", "content": "ICON\n========\n\nThe program ICON prepares chemical initial conditions (ICs) for the CMAQ\nChemistry Transport Model (CCTM). ICON will generate an output file with\nchemical concentrations for all grid cells in the modeling domain. Depending on\nuser specified options and/or input datasets, the ICs generated by ICON can be\ntime dependent, time independent, and either spatially uniform or variable\nacross the modeling domain. If deriving ICs from the ASCII vertical profiles,\nICON creates spatially uniform, time independent ICs. From concentration (CONC)\nfiles, ICON extracts spatially varying ICs, either on the same grid cell\nresolution (windowed modeling domain), or for a finer grid resolution modeling\ndomain (nested modeling domain). ICs generated from CONC files are time\ndependent if the input CONC file is time stepped, or time independent if the\nCONC file time step is zero.\n\nThere are two distinct modes of operation for ICON. When running ICON, the\nuser must specify whether to generate ICs from: (1) an existing CONC file\n(*regrid*); or (2) an ASCII file of vertical profiles (*profile*).\n\nThe User's Guide contains a [tutorial on how to use ICON to create initial conditions from seasonal or daily average hemispheric CMAQ output files](../../DOCS/Users_Guide/Tutorials/CMAQ_UG_tutorial_HCMAQ_IC_BC.md) distributed through the CMAS data warehouse.\n\nCMAQ can also use initial conditions derived from global chemistry models\n(GCMs). While ICON does not directly support processing of datasets from GCMs\n(in their native formats), users could develop their own custom codes to\ntransform their GCM datasets into I/O API format, which would then allow these\ndatasets to be input into ICON to generate ICs for the CCTM.\n\n## Environment variables used:\n\n**Table 1. Runtime Environment Variables**\n\n|**Variable Name**|**Example in Runscript**|**Description**|\n|---------------------|-------------|-----------------------------------------------------------------------|\n|VRSN|v53|Identifies version for the ICON run. Its value should be consistent between BCON build and run scripts for an individual application.|\n|APPL|SE53BENCH|Identifies the intent of the ICON run such as the model domain and chemical mechanism used. Value is the user's preference.|\n|ICTYPE|regrid, profile|Specifies which IC type to generate.|\n|EXEC|ICON_${VRSN}.exe|Executable to use for the ICON run.|\n|GRIDDESC|$CMAQ_HOME/scripts/GRIDDESC1|Grid description file for setting the horizontal grid definition for the target domain.|\n|GRID_NAME|SE53BENCH|Name of the grid definition contained in the GRIDDESC file that specifies the horizontal grid for the target domain.|\n|OUTDIR|$CMAQ_HOME/data/icon|Output data directory|\n|SDATE|0|Julian start date for extracting initial conditions from a CCTM CONC file. If SDATE is not set, it will be set automatically from the MET_CRO_3D_FIN file.|\n|STIME|0|Start time for extracting initial conditions from a CCTM CONC file. If STIME is not set, it will be set automatically from the MET_CRO_3D_FIN file.|\n|IOAPI_ISPH|20|I/O API setting for spheroid type. See I/O API documentation for [setsphere](https://www.cmascenter.org/ioapi/documentation/all_versions/html/SETSPHERE.html) for more information.|\n|IOAPI_OFFSET_64|YES|I/O API setting for large time-step records. If your output time step is going to produce data that are >2GB per time step, then this needs to be set to YES.|\n\n## ICON input files\n\n**Table 2. ICON input files for ICTYPE equals \"regrid\"**\n\n|**File Name**|**Format**|**Description**|\n|---------------------|-------------|-----------------------------------------------------------------------|\n|GRIDDESC|ASCII|Horizontal grid description file for defining the model grid; this file is output by MCIP or can be created by the user|\n|CTM_CONC_1|IOAPI/GRDDED3|Name and location of the CMAQ concentration file from which to derive initial conditions; this file is output from CCTM|\n|MET_CRO_3D_CRS|IOAPI/GRDDED3|Name and location of the coarse-grid MET_CRO_3D file that is required for creating the vertical grid structure if this structure changes between nested simulations; this file is output by MCIP|\n|MET_CRO_3D_FIN|IOAPI/GRDDED3|Name and location of the fine grid MET_CRO_3D file that is required if the vertical grid structure changes between nested simulations; this file is output by MCIP|\n\n**Table 3. ICON input files for ICTYPE equals \"profile\"**\n\n|**File Name**|**Format**|**Description**|\n|-------------|----------|---------------|\n|GRIDDESC|ASCII|Horizontal grid description file for defining the model grid for the target domain; this file is output by MCIP or can be created by the user|\n|IC_PROFILE|ASCII|Vertical chemical profiles from which to derive initial conditions; this file can created by the user|\n|MET_CRO_3D_FIN|IOAPI/BNDARY3|Name and location of the fine-grid (or target modeling domain) MET_CRO_3D file|\n\n## ICON output files\n\n**Table 4. ICON output files**\n\n|**File Name**|**Format**|**Description**|\n|------------|-----------|---------------------------------------------------------------|\n|INIT_CONC_1|IOAPI/GRDDED3|Name and location of the gridded initial conditions data output on the model grid defined by values of VRSN, ICTYPE, APPL, and DATE |\n\nThe default location of the ICON output files is the `$CMAQ_DATA/icon` directory, controlled by the `OUTDIR` variable in the run script. The default naming convention for all ICON output files uses the `APPL` and `GRID_NAME` environment variables in the file name. For initial conditions created from existing `CCTM CONC` files, the Julian date is also used in the file name through the `DATE` environment variable. All of the file-naming variables for `ICON` outputs are set in the run script.\n\n## Compile ICON source code\n\nExecute the build script to compile ICON:\n\n```\ncd $CMAQ_HOME/PREP/icon/scripts\n./bldit_icon.csh [compiler] [version] |& tee build_icon.log\n```\n\n## Run ICON\n\nSet the run script settings according to the execution configuration variables\ndescribed above. Run ICON to produce initial conditions for the CCTM:\n\n```\ncd $CMAQ_HOME/PREP/icon/scripts\n./run_icon.csh |& tee run_icon.log\n```\n\nCheck the log file to ensure complete and correct execution without errors.\n\n\n" }, { "path": "PREP/icon/scripts/bldit_icon.csh", "content": "#! /bin/csh -f\n\n# ====================== ICONv5.5.X Build Script ==================== \n# Usage: bldit_icon.csh >&! bldit.icon.log \n# Requirements: I/O API & netCDF libs, and a Fortran compiler \n# Note that this script is configured/tested for Red Hat Linux O/S \n\n# To report problems or request help with this script/program: \n# http://www.cmascenter.org/html/help.html \n# =================================================================== \n\n#> Set Compiler Identity by User Input: Options -> intel | pgi | gcc\n if ( $#argv == 1 ) then\n setenv compiler $argv[1]\n setenv compilerVrsn Empty\n else if ( $#argv == 2 ) then\n #> Compiler Name and Version have been provided\n setenv compiler $1\n setenv compilerVrsn $2\n else\n echo \"usage: $0 \"\n echo \" where is intel, pgi or gcc\"\n exit(2)\n endif\n\n#> Source the config.cmaq file to set the build environment\n cd ../../../\n source ./config_cmaq.csh\n\n set echo\n\n# =======================================================================\n#> Begin User Input Section\n# =======================================================================\n\n#> Source Code Locations\n set ICON_SRC = ${CMAQ_REPO}/PREP/icon/src #> location of the ICON source code\n setenv REPOROOT $ICON_SRC\n\n#> Working directory and Version IDs\n set VRSN = v55 #> Code Version\n set EXEC = ICON_${VRSN}.exe #> executable name for this application\n set CFG = ICON_${VRSN}.cfg #> BLDMAKE configuration file name\n\n#> Controls for managing the source code and MPI compilation\n set CompileBLDMAKE #> Recompile the BLDMAKE utility from source\n #> comment out to use an existing BLDMAKE executable\n set CopySrc #> copy the source files into the BLD directory\n#set CopySrcTree #> copy the source files and directory tree into the build directory\n#set Opt = verbose #> show requested commands as they are executed\n#set MakeFileOnly #> uncomment to build a Makefile, but do not compile; \n #> comment out to compile the model (default if not set)\n#set Debug_ICON #> uncomment to compile ICON with debug option equal to TRUE\n #> comment out to use standard, optimized compile process\n\n#>==============================================================================\n#> ICON Science Modules\n#>\n#> NOTE: IC type is now a runtime option. All IC types are included at\n#> compile time\n#>==============================================================================\n\n set ModCommon = common\n\n set ModM3conc = m3conc\n\n set ModProfile = profile\n\n#>#>#>#>#>#>#>#>#>#>#>#>#>#> End User Input Section #<#<#<#<#<#<#<#<#<#<#<#<#<#\n#>#>#>#>#>#>#>#>#>#>#>#>#>#>#>#>#>#>#>#<#<#<#<#<#<#<#<#<#<#<#<#<#<#<#<#<#<#<#<#\n\n#> Set full path of Fortran 90 compiler\n set FC = ${myFC}\n set FP = $FC\n setenv BLDER ${CMAQ_HOME}/UTIL/bldmake/bldmake_${compilerString}.exe #> name of model builder executable\n\n#> Set compiler flags\n set xLib_Base = ${CMAQ_LIB}\n set xLib_1 = ioapi/lib\n set xLib_2 = ioapi/include_files\n set xLib_4 = ioapi/lib\n set FSTD = \"${myFSTD}\"\n set DBG = \"${myDBG}\"\n set F_FLAGS = \"${myFFLAGS}\"\n set F90_FLAGS = \"${myFRFLAGS}\"\n set CPP_FLAGS = \"\"\n set LINK_FLAGS = \"${myLINK_FLAG}\"\n \n set LIB1 = \"$ioapi_lib\"\n set LIB2 = \"$netcdf_lib $extra_lib\"\n set LIB3 = \"$netcdff_lib\"\n\n#============================================================================================\n#> Implement User Input\n#============================================================================================\n\n#> Check for CMAQ_REPO and CMAQ_LIB settings:\n if ( ! -e $CMAQ_REPO || ! -e $CMAQ_LIB ) then\n echo \" $CMAQ_REPO or $CMAQ_LIB directory not found\"\n exit 1\n endif\n echo \" Model repository base path: $CMAQ_REPO\"\n echo \" library path: $CMAQ_LIB\"\n\n#> If $CMAQ_MODEL is not set, default to $CMAQ_REPO\n if ( $?CMAQ_MODEL ) then\n echo \" Model repository path: $CMAQ_MODEL\"\n else\n\n#> This script was written for Linux hosts only. If\n#> the host system is not Linux, produce an error and stop\n set BLD_OS = `uname -s` \n if ($BLD_OS != 'Linux') then\n echo \" $BLD_OS -> wrong bldit script for host!\"\n exit 1\n endif\n\n#> Set and create the \"BLD\" directory for checking out and compiling \n#> source code. Move current directory to that build directory.\n set Bld = $CMAQ_HOME/PREP/icon/scripts/BLD_ICON_${VRSN}_${compilerString}\n if ( ! -e \"$Bld\" ) then\n mkdir $Bld\n else\n if ( ! -d \"$Bld\" ) then\n echo \" *** target exists, but not a directory ***\"\n exit 1\n endif\n endif\n cd $Bld\n\n#> make the config file\n\n set Cfile = ${CFG}.bld\n set quote = '\"'\n\n echo > $Cfile\n echo \"model $EXEC;\" >> $Cfile\n echo >> $Cfile\n echo \"repo $ICON_SRC;\" >> $Cfile\n echo >> $Cfile\n echo \"lib_base $xLib_Base;\" >> $Cfile\n echo >> $Cfile\n echo \"lib_1 $xLib_1;\" >> $Cfile\n echo >> $Cfile\n echo \"lib_2 $xLib_2;\" >> $Cfile\n echo >> $Cfile\n echo \"lib_4 $xLib_4;\" >> $Cfile\n echo >> $Cfile\n set text = \"$quote$CPP_FLAGS$quote;\"\n echo \"cpp_flags $text\" >> $Cfile\n echo >> $Cfile\n echo \"f_compiler $FC;\" >> $Cfile\n echo >> $Cfile\n echo \"fstd $quote$FSTD$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"dbg $quote$DBG$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"f_flags $quote$F_FLAGS$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"f90_flags $quote$F90_FLAGS$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"link_flags $quote$LINK_FLAGS$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"ioapi $quote$LIB1$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"netcdf $quote$LIB2$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"netcdff $quote$LIB3$quote;\" >> $Cfile\n echo >> $Cfile\n\n\n echo \"// project repository location: ${ICON_SRC}\" >> $Cfile\n echo >> $Cfile\n\n set text = \"common\"\n echo \"// required\" $text >> $Cfile\n echo \"Module ${ModCommon};\" >> $Cfile\n echo >> $Cfile\n\n set text = \"m3conc\"\n echo \"// options are\" $text >> $Cfile\n echo \"Module ${ModM3conc};\" >> $Cfile\n echo >> $Cfile\n\n set text = \"profile\"\n echo \"// options are\" $text >> $Cfile\n echo \"Module ${ModProfile};\" >> $Cfile\n echo >> $Cfile\n\n if ( $?ModMisc ) then\n echo \"Module ${ModMisc};\" >> $Cfile\n echo >> $Cfile\n endif\n\n# ============================================================================\n#> Create Makefile and Model Executable\n# ============================================================================\n\n unalias mv rm\n\n#> Recompile BLDMAKE from source if requested or if it does not exist\n if ( $?CompileBLDMAKE || ! -f $BLDER ) then\n cd ${CMAQ_REPO}/UTIL/bldmake/scripts\n ./bldit_bldmake.csh\n endif\n set Blder = \"$BLDER -serial -verbose\"\n\n#> Relocate to the BLD_* directory \n cd $Bld\n\n# Set ICON debug flags if true\n if ( $?Debug_ICON ) then\n set Blder = \"${Blder} -debug_cctm\"\n endif\n\n#> Run BLDMAKE Utility\n if ( $?MakeFileOnly ) then\n if ( $?CopySrc ) then\n $Blder -makefo $Cfile\n else\n $Blder -makefo -git_local $Cfile # $Cfile = ${CFG}\n # totalview -a $Blder -makefo $Cfile\n endif\n else # also compile the model\n if ( $?CopySrc ) then\n $Blder $Cfile\n else\n $Blder -git_local $Cfile\n endif\n endif\n\n#> Rename Makefile to specify compiler option and link back to Makefile\n mv Makefile Makefile.$compilerString\n if ( -e Makefile.$compilerString && -e Makefile ) rm Makefile\n ln -s Makefile.$compilerString Makefile\n \n#> Alert user of error in BLDMAKE if it ocurred\n if ( $status != 0 ) then\n echo \" *** failure in $Blder ***\"\n exit 1\n endif\n\n#> Preserve old Config file, if it exists, before moving new one to \n#> build directory.\n if ( -e \"$Bld/${CFG}\" ) then\n echo \" >>> previous ${CFG} exists, re-naming to ${CFG}.old <<<\"\n unalias mv\n mv $Bld/${CFG} $Bld/${CFG}.old\n endif\n mv ${CFG}.bld $Bld/${CFG}\n\n exit\n" }, { "path": "PREP/icon/scripts/run_icon.csh", "content": "#!/bin/csh -f\n\n# ======================= ICONv5.5.X Run Script ========================\n# Usage: run_icon.csh >&! icon.log & \n#\n# To report problems or request help with this script/program: \n# http://www.cmascenter.org\n# ==================================================================== \n\n# ==================================================================\n#> Runtime Environment Options\n# ==================================================================\n\n#> Choose compiler and set up CMAQ environment with correct \n#> libraries using config.cmaq. Options: intel | gcc | pgi\n setenv compiler intel \n\n#> Source the config_cmaq file to set the run environment\n pushd ../../../\n source ./config_cmaq.csh $compiler\n popd\n\n#> Check that CMAQ_DATA is set:\n if ( ! -e $CMAQ_DATA ) then\n echo \" $CMAQ_DATA path does not exist\"\n exit 1\n endif\n echo \" \"; echo \" Input data path, CMAQ_DATA set to $CMAQ_DATA\"; echo \" \"\n\n#> Set General Parameters for Configuring the Simulation\n set VRSN = v55 #> Code Version\n set APPL = 2016_12SE1 #> Application Name\n set ICTYPE = regrid #> Initial conditions type [profile|regrid]\n\n#> Set the working directory:\n set BLD = ${CMAQ_HOME}/PREP/icon/scripts/BLD_ICON_${VRSN}_${compilerString}\n set EXEC = ICON_${VRSN}.exe \n cat $BLD/ICON_${VRSN}.cfg; echo \" \"; set echo\n\n#> Horizontal grid definition \n setenv GRID_NAME SE53BENCH #> check GRIDDESC file for GRID_NAME options\n#setenv GRIDDESC $CMAQ_DATA/$APPL/met/mcip/GRIDDESC #> grid description file \n setenv GRIDDESC /work/MOD3DATA/SE53BENCH/met/mcipv4.5/GRIDDESC\n setenv IOAPI_ISPH 20 #> GCTP spheroid, use 20 for WRF-based modeling\n\n#> I/O Controls\n setenv IOAPI_LOG_WRITE F #> turn on excess WRITE3 logging [ options: T | F ]\n setenv IOAPI_OFFSET_64 YES #> support large timestep records (>2GB/timestep record) [ options: YES | NO ]\n setenv EXECUTION_ID $EXEC #> define the model execution id\n\n# =====================================================================\n#> ICON Configuration Options\n#\n# ICON can be run in one of two modes: \n# 1) regrids CMAQ CTM concentration files (IC type = regrid) \n# 2) use default profile inputs (IC type = profile)\n# =====================================================================\n\n setenv ICON_TYPE ` echo $ICTYPE | tr \"[A-Z]\" \"[a-z]\" ` \n\n# =====================================================================\n#> Input/Output Directories\n# =====================================================================\n\n set OUTDIR = $CMAQ_HOME/data/icon #> output file directory\n\n# =====================================================================\n#> Input Files\n# \n# Regrid mode (IC = regrid) (includes nested domains, windowed domains,\n# or general regridded domains)\n# CTM_CONC_1 = the CTM concentration file for the coarse domain \n# MET_CRO_3D_CRS = the MET_CRO_3D met file for the coarse domain\n# MET_CRO_3D_FIN = the MET_CRO_3D met file for the target nested domain \n# \n# Profile Mode (IC = profile)\n# IC_PROFILE = static/default IC profiles \n# MET_CRO_3D_FIN = the MET_CRO_3D met file for the target domain \n#\n# NOTE: SDATE (yyyyddd) and STIME (hhmmss) are only relevant to the\n# regrid mode and if they are not set, these variables will \n# be set from the input MET_CRO_3D_FIN file\n# =====================================================================\n#> Output File\n# INIT_CONC_1 = gridded IC file for target domain\n# =====================================================================\n\n set DATE = \"2016-07-01\"\n set YYYYJJJ = `date -ud \"${DATE}\" +%Y%j` #> Convert YYYY-MM-DD to YYYYJJJ\n set YYMMDD = `date -ud \"${DATE}\" +%y%m%d` #> Convert YYYY-MM-DD to YYMMDD\n set YYYYMMDD = `date -ud \"${DATE}\" +%Y%m%d` #> Convert YYYY-MM-DD to YYYYMMDD\n# setenv SDATE ${YYYYJJJ}\n# setenv STIME 000000\n\n if ( $ICON_TYPE == regrid ) then\n setenv CTM_CONC_1 /work/MOD3EVAL/sjr/CCTM_CONC_v53beta2_intel17.0_HEMIS_cb6r3m_ae7_kmtbr_m3dry_2016_quarterly_av.nc\n setenv MET_CRO_3D_CRS /work/MOD3DATA/2016_12US1/met/mcip_v43_wrf_v381_ltng/METCRO3D.12US1.35L.${YYMMDD}\n setenv MET_CRO_3D_FIN /work/MOD3DATA/SE53BENCH/met/mcipv4.5/METCRO3D_${YYMMDD}.nc\n setenv INIT_CONC_1 \"$OUTDIR/ICON_${VRSN}_${APPL}_${ICON_TYPE}_${YYYYMMDD} -v\"\n endif\n\n if ( $ICON_TYPE == profile ) then\n setenv IC_PROFILE $BLD/avprofile_cb6r3m_ae7_kmtbr_hemi2016_v53beta2_m3dry_col051_row068.csv\n setenv MET_CRO_3D_FIN /work/MOD3DATA/SE53BENCH/met/mcipv4.5/METCRO3D_${YYMMDD}.nc\n setenv INIT_CONC_1 \"$OUTDIR/ICON_${VRSN}_${APPL}_${ICON_TYPE}_${YYYYMMDD} -v\"\n endif\n \n#>- - - - - - - - - - - - - - - - - - - - - - - - - - - - - -\n\n if ( ! -d \"$OUTDIR\" ) mkdir -p $OUTDIR\n\n ls -l $BLD/$EXEC; size $BLD/$EXEC\n unlimit\n limit\n\n#> Executable call:\n time $BLD/$EXEC\n\n set progstat = ${status}\n if ( ${progstat} ) then\n echo \"ERROR ${progstat} in $BLD/$EXEC\"\n exit( ${progstat} )\n endif\n\n exit() \n" }, { "path": "PREP/icon/src/common/HGRD_DEFN.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/ICON/src/common/HGRD_DEFN.F,v 1.4 2011/11/02 16:34:03 sjr Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n MODULE HGRD_DEFN\n\nC Define the horizontal domain, globally and for each processor, if parallel\nC Revision History: David Wong 18 Feb 01: created\nC Jeff Young 23 Feb 01: generalize\nC 31 Mar 01: add BLKPRM.EXT\nC 10 Nov 01: change to use GRIDDESC, env vars\nC J Gipson 01 Sep 04: change block size to 50\nC J Young 07 Dec 04: remove layer dependency (for MXCELLS,\nC MXBLKS) to implement vertical layer\nC dyn alloc appropriately\nC J Young 22 Dec 05: move proc. anayl. stuff to PAGRD_DEFN\nC S. Roselle 29 Mar 11: Replaced I/O API include files\nC with UTILIO_DEFN\nC S.Roselle 07 Nov 18: Removed parallel processing code\nC.......................................................................\n\n IMPLICIT NONE\n\nC grid name selected from GRIDDESC\n CHARACTER( 16 ), SAVE :: GRID_NAME\n\nC returned coordinate system (projection)\n CHARACTER( 16 ), SAVE :: COORD_SYS_NAME\n\nC map projection type (should be named PRTYP_GD!)\n INTEGER, SAVE :: GDTYP_GD = 2 ! LAMGRD3\n\nC first map projection parameter (degrees)\n REAL( 8 ), SAVE :: P_ALP_GD = 30.0\n\nC second map projection parameter (degrees)\n REAL( 8 ), SAVE :: P_BET_GD = 60.0\n\nC third map projection parameter (degrees)\n REAL( 8 ), SAVE :: P_GAM_GD = -90.0\n\nC longitude for coord-system center (degrees)\n REAL( 8 ), SAVE :: XCENT_GD = -90.0\n\nC latitude for coord-system center (degrees)\n REAL( 8 ), SAVE :: YCENT_GD = 40.0\n\n REAL( 8 ), SAVE :: XORIG_GD ! X-coordinate origin of computational grid\n REAL( 8 ), SAVE :: YORIG_GD ! Y-coordinate origin of computational grid\n\n REAL( 8 ), SAVE :: XCELL_GD ! X-coordinate cell width (M)\n REAL( 8 ), SAVE :: YCELL_GD ! Y-coordinate cell width (M)\n\n INTEGER, SAVE :: NCOLS ! grid columns array dimension\n INTEGER, SAVE :: NROWS ! grid rows array dimension\n INTEGER, SAVE :: NBNDY ! no. of cells in one layer of local boundary\n \n INTEGER, SAVE :: NTHIK ! boundary thickness (cells)\n\n CONTAINS\n\n FUNCTION HGRD_INIT ( ) RESULT ( SUCCESS )\n\n USE M3UTILIO ! IOAPI module\n\n LOGICAL :: SUCCESS\n\n INTEGER, SAVE :: LOGDEV\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n CHARACTER( 96 ) :: XMSG = ' '\n\nC environment variable grid name to select from GRIDDESC\n CHARACTER( 16 ) :: HGRD_NAME = 'GRID_NAME'\n INTEGER, EXTERNAL :: SETUP_LOGDEV\n INTEGER :: STATUS\n\n CHARACTER( 48 ) :: VARDESC\n\nC-----------------------------------------------------------------------\n\nC This function is expected to be called only once - at startup\n\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n! LOGDEV = SETUP_LOGDEV()\n LOGDEV = INIT3()\n SUCCESS = .TRUE.\n\n VARDESC = 'Horizontal Domain Definition '\n CALL ENVSTR( HGRD_NAME, VARDESC, 'GRID_NAME', GRID_NAME, STATUS )\n IF ( STATUS .NE. 0 ) WRITE( LOGDEV, '(5X, A)' ) VARDESC\n IF ( STATUS .EQ. 1 ) THEN\n XMSG = 'Environment variable improperly formatted'\n CALL M3WARN ( 'HGRD_INIT', 0, 0, XMSG )\n SUCCESS = .FALSE.; RETURN\n ELSE IF ( STATUS .EQ. -1 ) THEN\n XMSG = 'Environment variable set, but empty ... Using default'\n WRITE( LOGDEV, '(5X, A)' ) XMSG\n ELSE IF ( STATUS .EQ. -2 ) THEN\n XMSG = 'Environment variable not set ... Using default'\n WRITE( LOGDEV, '(5X, A)' ) XMSG\n END IF\n\nC With GRID_NAME (only input) retrieve all horizontal grid parameters from\nC the grid description file pointed to by the GRIDDESC env var:\n\n IF ( .NOT. DSCGRID ( GRID_NAME,\n & COORD_SYS_NAME, GDTYP_GD, \n & P_ALP_GD, P_BET_GD, P_GAM_GD,\n & XCENT_GD, YCENT_GD,\n & XORIG_GD, YORIG_GD, XCELL_GD, YCELL_GD,\n & NCOLS, NROWS, NTHIK ) ) THEN\n XMSG = 'Failure retrieving horizontal grid parameters'\n CALL M3WARN ( 'HGRD_INIT', 0, 0, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\n NBNDY = 2*NTHIK * ( NCOLS + NROWS + 2*NTHIK )\n\n ELSE\n XMSG = 'Horizontal domain decomposition already defined'\n CALL M3WARN ( 'HGRD_INIT', 0, 0, XMSG )\n SUCCESS = .FALSE.; RETURN\n\n END IF ! FIRSTIME\n\n RETURN\n END FUNCTION HGRD_INIT\n \n END MODULE HGRD_DEFN\n" }, { "path": "PREP/icon/src/common/IC_PARMS.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n MODULE IC_PARMS\n\nC......................................................................\nC From INCLUDE FILE: IC_PARMS.EXT\n\nC CONTAINS: Dimensioning parameters and data for ICON\n\nC DEPENDENT UPON: None\n\nC REVISION HISTORY: Prototype created by Jerry Gipson, January, 1998\nC Modified by JG May, 1999 to treat PinG concs\nC Remove PING by J.Young June, 2011\nC Made into an F90 MODULE - J.Young, May 2012\nC......................................................................\n\n\n!terra5:/home/yoj/src/arc/test/CCTM-repo/hadv/yamo> find /home/yoj/src/arc/ICON-git -name '*.[fF]' -exec grep -i IC_PARMS.EXT {} \\; -print\n! INCLUDE 'IC_PARMS.EXT' ! ICON paramters\n!/home/yoj/src/arc/ICON-git/common/icon.F\n! INCLUDE 'IC_PARMS.EXT' ! ICON parameters\n!/home/yoj/src/arc/ICON-git/common/lst_spc_map.F\n! INCLUDE 'IC_PARMS.EXT' ! ICON parameters\n!/home/yoj/src/arc/ICON-git/common/ngc_spc_map.F\n! INCLUDE 'IC_PARMS.EXT' ! ICON parameters\n!/home/yoj/src/arc/ICON-git/common/opn_ic_file.F\n! INCLUDE 'IC_PARMS.EXT' ! BCON paramters\n!/home/yoj/src/arc/ICON-git/m3conc/m3_ck_ctmmet.F\n! INCLUDE 'IC_PARMS.EXT' ! ICON parameters\n!/home/yoj/src/arc/ICON-git/m3conc/m3_ck_ctms.F\n! INCLUDE 'IC_PARMS.EXT' ! BCON paramters\n!/home/yoj/src/arc/ICON-git/m3conc/m3_ck_icmet.F\n! INCLUDE 'IC_PARMS.EXT' ! ICON paramters\n!/home/yoj/src/arc/ICON-git/m3conc/m3_driver.F\n! INCLUDE 'IC_PARMS.EXT' ! ICON paramters\n!/home/yoj/src/arc/ICON-git/m3conc/m3_icout.F\n! INCLUDE 'IC_PARMS.EXT' ! ICON paramters\n!/home/yoj/src/arc/ICON-git/m3conc/m3_vinterp.F\n! INCLUDE 'IC_PARMS.EXT' ! ICON paramters\n!/home/yoj/src/arc/ICON-git/profile/prof_driver.F\n! INCLUDE 'IC_PARMS.EXT' ! ICON paramters\n!/home/yoj/src/arc/ICON-git/profile/prof_icout.F\n! INCLUDE 'IC_PARMS.EXT' ! ICON paramters\n!/home/yoj/src/arc/ICON-git/profile/prof_vinterp.F\n! INCLUDE 'IC_PARMS.EXT' ! ICON paramters\n!/home/yoj/src/arc/ICON-git/tracer/trac_driver.F\n! INCLUDE 'IC_PARMS.EXT' ! ICON paramters\n!/home/yoj/src/arc/ICON-git/tracer/trac_ic.F\n\n\nC Dimensioning parameters\n\n INTEGER, PARAMETER :: MX_MECHFL_IC = 500 ! Max no. of species\n\n INTEGER, PARAMETER :: MX_INFL_SP = 500 ! Max no. of species in an input file\n\n INTEGER, PARAMETER :: MXCTMS = 3 ! Max no. of input CTM files\n\nC Type declarations\n\nC Root names of possible output files\n INTEGER, PARAMETER :: NROOTS = 5\n CHARACTER( 16 ) :: ICFL_ROOT( NROOTS ) = (/ ! Output file root names\n & 'INIT_CONC_',\n & 'INIT_GASC_',\n & 'INIT_AERO_',\n & 'INIT_NONR_',\n & 'INIT_TRAC_' /)\n\nC Catalogued tracer species names\n INTEGER, PARAMETER :: NTRACERS = 8 ! No. of catalogued tracers\n CHARACTER( 16 ) :: TRAC_NAME( NTRACERS ) = (/ ! Catalogued tracer names\n & 'IC1_BC0',\n & 'IC1_BC1',\n & 'IC0_BC1',\n & 'STREET ',\n & 'CHKBRD ',\n & 'SPOS_A ',\n & 'SPOS_B ',\n & 'SPOS_C ' /)\n\nC Descriptions of tracers species\n CHARACTER( 80 ) :: TRAC_DESC( NTRACERS ) = (/ ! Description of catalogued tracers\n & 'Uniform IC/BC with IC = 1.0 and BC 0.0 ',\n & 'Uniform IC/BC with IC = 1.0 and BC 1.0 ',\n & 'Uniform IC/BC with IC = 0.0 and BC 0.0 ',\n & 'Checkerboard pattern of IC/BC = 1.0 & 0.0',\n & 'Street pattern of IC/BC = 1.0 & 0.0 ',\n & 'Signal A for superposition test, A-B-C=0 ',\n & 'Signal B for superposition test, A-B-C=0 ',\n & 'Signal C for superposition test, A-B-C=0 ' /)\n\nC Descriptions of catalogued vertical coordinate systems\n CHARACTER( 23 ) :: VGDESC( 8 ) = (/ ! Description of vertical grid type\n & 'Hydrostatic sigma-p ',\n & 'Non-hydrostatic sigma-p',\n & 'Sigma-z ',\n & 'Pressure (mb) ',\n & 'Z (m above sea level) ',\n & 'H (m above ground ',\n & 'WRF mass-core sigma ',\n & 'WRF NMM ' /)\n\nC When generating \"fine grid\" icon output from a \"coarse grid\" concentration file...\nC If the vertical grid type is different between the input concentration file and\nC the targeted, output icon file, the mid-layer height fields (ZH) for both the\nC \"coarse\" input and the \"fine\" output are required from appropriate MET_CRO_3D files.\n CHARACTER( 16 ) :: MET_CRO_3D_CRS = 'MET_CRO_3D_CRS' ! coarse grid\n CHARACTER( 16 ) :: MET_CRO_3D_FIN = 'MET_CRO_3D_FIN' ! fine grid\n\n END MODULE IC_PARMS\n\n" }, { "path": "PREP/icon/src/common/VGRD_DEFN.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/ICON/src/common/VGRD_DEFN.F,v 1.2 2011/10/21 16:41:51 yoj Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n MODULE VGRD_DEFN\n\nC Define the vertical layer structure (replaces COORD.EXT and VGRD.EXT)\nC Revision History: Jeff Young: 6 Dec 04: created\nC 26 Jul 06: comments in line with PARMS3.EXT\nC S. Roselle 29 Mar 11: Replaced I/O API include files\nC with UTILIO_DEFN\nC S.Roselle 02 Nov 18: Use MET_CRO_3D_FIN to get layer\nC structure instead of requiring\nC a separate LAYER_FILE\nC S.Roselle 06 Nov 18: Replaced UTILIO_DEFN with M3UTILIO\nC.......................................................................\n\n IMPLICIT NONE\n\n INTEGER, SAVE :: NLAYS = 0\n\n REAL, ALLOCATABLE, SAVE :: VGLVS_GD( : ) ! vert layer surface values\n REAL, ALLOCATABLE, SAVE :: X3FACE_GD( : ) ! mono. incr. vert coord values\n ! = 1 - VGLVS_GD\n CHARACTER( 16 ), SAVE :: GDNAME_GD\n\nC The definitions and declarations in this F90 Module follow those\nC given in the I/O-API include file FDESC3C.EXT and replace similar\nC definitions. This F90 Module is compatible with FDESC3C.EXT.\n\nC VGTYP_GD:\nC The vertical grid type:\nC 1: VGSGPH3 : hydrostatic sigma-P\nC 2: VGSGPN3 : non-h sigma-P\nC 3: VGSIGZ3 : sigma-Z\nC 4: VGPRES3 : pressure (mb)\nC 5: VGZVAL3 : Z (m) (above sea lvl)\nC 6: VGHVAL3 : H (m) (above ground)\nC 7: VGWRFEM : WRF mass-core sigma\nC 8: VGWRFNM : WRF NMM\nC 9: IMISS3 for vertical coordinates not stored in VGLVSD\nC (e.g., temporally or spatially changing vertical coordinates)\n\n INTEGER, SAVE :: VGTYP_GD\n\nC VGTPUN_GD:\nC The units of the vertical coordinate top.\n\n CHARACTER( 16 ), SAVE :: VGTPUN_GD\n\nC VGTOP_GD:\nC The value for the model top used in the definition of the sigma coordinate\nC systems in the VGTPUN_GD units.\n\n REAL, SAVE :: VGTOP_GD\n\nC For sigma-P, the relationship between pressure levels P and sigma-P is\nC given by:\nC sigma-P = ( P - VGTOP_GD ) / (P_srf - VGTOP_GD ),\nC where P_srf is the surface pressure.\n\nC VGLVUN_GD:\nC The units of the vertical coordinate surface values,\n\n CHARACTER( 16 ) :: VGLVUN_GD\n\nC-----------------------------------------------------------------------\n\n CONTAINS\n\n FUNCTION VGRD_INIT ( ) RESULT ( SUCCESS )\n\n USE M3UTILIO ! IOAPI module\n\n IMPLICIT NONE\n\n LOGICAL :: SUCCESS\n\n! integer, save :: logdev\n LOGICAL, SAVE :: FIRSTIME = .TRUE.\n CHARACTER( 96 ) :: XMSG = ' '\n CHARACTER( 16 ) :: LAYER_FILE = 'MET_CRO_3D_FIN'\n\n INTEGER L, ALLOCSTAT\n\nC This function is expected to be called only once - at startup\n\n IF ( FIRSTIME ) THEN\n FIRSTIME = .FALSE.\n! logdev = init3()\n SUCCESS = .TRUE.\n\nC get vert layer definition from LAYER_FILE\n\n IF ( .NOT. OPEN3( LAYER_FILE, FSREAD3, 'VGRD_INIT' ) ) THEN\n XMSG = 'Could not open '// LAYER_FILE\n CALL M3WARN ( 'VGRD_INIT', 0, 0, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\n IF ( .NOT. DESC3( LAYER_FILE ) ) THEN\n XMSG = 'Could not get ' // LAYER_FILE // ' file description'\n CALL M3WARN ( 'VGRD_INIT', 0, 0, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\n GDNAME_GD = GDNAM3D\n\n NLAYS = NLAYS3D\n\n VGTYP_GD = VGTYP3D\n VGTOP_GD = VGTOP3D\n VGTPUN_GD = 'Pa'\n VGLVUN_GD = 'none'\n\n ALLOCATE ( VGLVS_GD( NLAYS + 1 ), STAT = ALLOCSTAT )\n ALLOCATE ( X3FACE_GD( 0:NLAYS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n XMSG = 'Failure allocating VGLVS_GD, X3FACE_GD'\n CALL M3WARN ( 'VGRD_INIT', 0, 0, XMSG )\n SUCCESS = .FALSE.; RETURN\n END IF\n\n DO L = 1, NLAYS + 1\n VGLVS_GD( L ) = VGLVS3D( L )\n END DO\n\nC set layer layer thickenesses\n\n DO L = 0, NLAYS\n X3FACE_GD( L ) = 1.0 - VGLVS_GD( L + 1 )\n END DO\n\n ELSE\n XMSG = 'Vertical layer structure already defined'\n CALL M3WARN ( 'VGRD_INIT', 0, 0, XMSG )\n SUCCESS = .FALSE.; RETURN\n\n END IF ! FIRSTIME\n\n RETURN\n END FUNCTION VGRD_INIT\n\n END MODULE VGRD_DEFN\n\nC 21 VGLVS_GD X3FACE_GD\nC \nC 1 1.0 0.0\nC 2 0.995 0.005\nC 3 0.99 0.01\nC 4 0.985 0.015\nC 5 0.98 0.02\nC 6 0.97 0.03\nC 7 0.96 0.04\nC 8 0.945 0.055\nC 9 0.93 0.07\nC 10 0.91 0.09\nC 11 0.89 0.11\nC 12 0.865 0.135\nC 13 0.84 0.16\nC 14 0.78 0.22\nC 15 0.7 0.3\nC 16 0.6 0.4\nC 17 0.5 0.5\nC 18 0.4 0.6\nC 19 0.3 0.7\nC 20 0.2 0.8\nC 21 0.1 0.9\nC 22 0.0 1.0\n" }, { "path": "PREP/icon/src/common/findex.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/ICON/src/common/findex.F,v 1.2 2011/10/21 16:41:51 yoj Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n INTEGER FUNCTION FINDEX (INDX, N, NLIST)\n\nC Searches for INDX in list NLIST and returns the subscript\nC (1...N) at which it is found, or returns 0 when NAME not\nC found in NLIST\n\n IMPLICIT NONE\n \n INTEGER INDX ! index being searched for\n INTEGER N ! Length of array to be searched\n INTEGER NLIST(*) ! array to be searched\n\n INTEGER I\n\n DO I = 1, N\n IF ( INDX .EQ. NLIST( I ) ) THEN ! found\n FINDEX = I\n RETURN\n END IF\n END DO\n FINDEX = 0 ! not found\n RETURN\n\n END\n\n" }, { "path": "PREP/icon/src/common/icon.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/ICON/src/common/icon.F,v 1.3 2011/11/01 16:07:15 sjr Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\n PROGRAM ICON \n\nC***********************************************************************\n \nC Function: To produce a Models-3 CTM Initial Concentration file.\nC Valid input options include: \nC 1) a user specified ASCII file of vertical profiles,\nC 2) a CMAQ CTM output file,\nC 3) subroutines that produce catalogued test pattern species concs.\n \nC Preconditions: None\n \nC Key Subroutines/Functions Called: INIC\n \nC Revision History:\nC Created by Jerry Gipson, January, 1998; based on the original Models-3\nC prototype.\nC Modified 4/22/99 by JG to provide default treatment for missing SDATE\nC and STIME\nC 12/13/99 David Wong, LM -- parallelelized the code\nC 01/24/02 Steve Howard (Jeff Young) - dynamic allocation\nC 12/13/04 J.Young: vert dyn alloc - Use VGRD_DEFN\nC 24 May 06 J.Young: par_init/pio_init col/row order check\nC 06 Jun 11 J.Young: Replaced I/O API include files with UTILIO_DEFN\nC 13 Jun 11 J.Young: Convert for Namelist redesign\nC 21 May 12 J.Young: Replaced IC_PARMS include file with an F90 module\nC 02 Nov 18 S.Roselle: Removed species mapping; updates to enable runtime\nC option for profile, regrid, or test patterns BCs\nC 07 Nov 18 S.Roselle: Removed parallel processing code; \nC replaced UTILIO_DEFN with M3UTILIO\n \nC***********************************************************************\n\n USE HGRD_DEFN ! Module to store and load the horizontal grid variables\n USE VGRD_DEFN ! vertical layer specifications\n USE M3UTILIO ! IOAPI module\n USE IC_PARMS ! ICON parameters\n\n IMPLICIT NONE \n\nC Include Files: None\n\nC Arguments: None\n\nC Parameters: None\n\nC External Procedures: None\n\nC Local Variables:\n CHARACTER( 16 ) :: PNAME = 'ICON' ! Procedure name\n CHARACTER( 16 ) :: ICON_TYPE = 'ICON_TYPE' ! ICON type environment variable\n CHARACTER( 16 ) :: IC_MODULE = 'regrid' ! selected module\n\n CHARACTER( 80 ) :: MSG ! Log message \n CHARACTER( 80 ) :: VARDESC ! variable description\n\n INTEGER LOGUNIT ! Unit number for output log\n INTEGER STATUS ! Status code\n\n INTERFACE\n\n SUBROUTINE M3_INIC ( LOGUNIT )\n INTEGER, INTENT( IN ) :: LOGUNIT\n END SUBROUTINE M3_INIC\n\n SUBROUTINE PROF_INIC ( LOGUNIT )\n INTEGER, INTENT( IN ) :: LOGUNIT\n END SUBROUTINE PROF_INIC\n\n! SUBROUTINE TRAC_INIC ( LOGUNIT )\n! INTEGER, INTENT( IN ) :: LOGUNIT\n! END SUBROUTINE TRAC_INIC\n\n END INTERFACE\nC***********************************************************************\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Initialize IO/API and get environment variables\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n LOGUNIT = INIT3( )\n\n VARDESC = 'Initial condition type: (regrid, profile)'\n CALL ENVSTR ( ICON_TYPE, VARDESC, IC_MODULE, IC_MODULE, STATUS )\n IF ( STATUS .NE. 0 ) WRITE( LOGUNIT, '(5X, A)' ) VARDESC\n IF ( STATUS .EQ. 1 ) THEN\n MSG = 'Environment variable improperly formatted'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT2 )\n ELSE IF ( STATUS .EQ. -1 ) THEN\n MSG = 'Environment variable set, but empty ... Using default:'\n WRITE( LOGUNIT, '(5X, A, A)' ) MSG, IC_MODULE\n ELSE IF ( STATUS .EQ. -2 ) THEN\n MSG = 'Environment variable not set ... Using default:'\n WRITE( LOGUNIT, '(5X, A, A)' ) MSG, IC_MODULE\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Load horizontal grid variables calling GRID_DEF->HGRD_INIT function\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( .NOT. HGRD_INIT() ) THEN\n MSG = '*** Failure defining horizontal domain'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc define vertical layer structure\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( .NOT. VGRD_INIT() ) THEN\n MSG = '*** Failure defining vertical structure'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Generate the IC output file and quit\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( IC_MODULE .EQ. 'regrid' ) THEN\n CALL M3_INIC ( LOGUNIT )\n ELSE IF ( IC_MODULE .EQ. 'profile' ) THEN\n CALL PROF_INIC ( LOGUNIT )\n! ELSE IF ( IC_MODULE .EQ. 'patterns' ) THEN\n! CALL TRAC_INIC ( LOGUNIT )\n ELSE\n MSG = '*** Unknown ICON type requested: ' // IC_MODULE\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n\n IF ( SHUT3() ) THEN\n WRITE ( LOGUNIT,92999 )\n & '>>----> Program ICON completed successfully <----<< '\n ELSE\n WRITE ( LOGUNIT,91000 )\n & 'FATAL ERROR shutting down Models-3 I/O'\n END IF\n\n STOP\n\nC************************* FORMAT STATEMENTS ***************************\n\n92999 FORMAT ( //5X, A, // )\n\n91000 FORMAT ( //5X , '*** ERROR ABORT in program ICON ***',\n & /5X , A , // ) ! generic error message format\n\n END\n" }, { "path": "PREP/icon/src/common/lat_lon.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/ICON/src/common/lat_lon.F,v 1.2 2011/10/21 16:41:52 yoj Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\n SUBROUTINE LAT_LON ( COL, ROW, GDTYP, XORIG, YORIG, XCELL, YCELL,\n & XCENT, YCENT, P_ALP, P_BET, P_GAM, LAT, LON )\n \nC***********************************************************************\n \nC Function: Computes latitude and longitude of center of grid cells \n \nC Preconditions: None\n \nC Key Subroutines/Functions Called: SETLAM\nC SETPOL\nC SETEQM\nC LAM2LL\nC POL2LL\nC EQM2LL\nC UTM2LL\n \nC Revision History: Modified form of LAT_LON program originally created\nC by C. J. Coats -- Jerry Gipson, January 1998 \nC 06 Jun 11 J.Young: Replaced I/O API include files with UTILIO_DEFN\nC 28 Aug 18 R.Mathur/S.Roselle: Added polar stereographic projection\nC grid type option \nC 06 Nov 18 S.Roselle: Replaced UTILIO_DEFN with M3UTILIO\nC 21 Apr 21 C. Hogrefe: Added equatorial mercator projection\nC grid type option \n\nC***********************************************************************\n\n USE M3UTILIO ! IOAPI module\n\n IMPLICIT NONE \n\nC Arguments:\n INTEGER, INTENT( IN ) :: GDTYP ! Grid type\n INTEGER, INTENT( IN ) :: COL ! column\n INTEGER, INTENT( IN ) :: ROW ! row\n\n REAL( 8 ), INTENT( IN ) :: P_ALP ! 1st map projection parameter\n REAL( 8 ), INTENT( IN ) :: P_BET ! 2nd map projection parameter\n REAL( 8 ), INTENT( IN ) :: P_GAM ! 3rd map projection parameter\n\n REAL( 8 ), INTENT( IN ) :: XCELL ! X-dimension of cell (m)\n REAL( 8 ), INTENT( IN ) :: XCENT ! Longitude of coordinate system center\n REAL( 8 ), INTENT( IN ) :: XORIG ! X-origin of grid\n REAL( 8 ), INTENT( IN ) :: YCELL ! Y-dimension of cell (m)\n REAL( 8 ), INTENT( IN ) :: YCENT ! Latitude of coordinate system center\n REAL( 8 ), INTENT( IN ) :: YORIG ! Y-origin of grid\n\n REAL, INTENT( OUT ) :: LAT ! Output latitude\n REAL, INTENT( OUT ) :: LON ! Output longitude\n\nC Parameters: None\n\nC Local Variables:\n CHARACTER( 16 ) :: PNAME = 'LAT_LON'\n CHARACTER( 80 ) :: MSG = ' '\n\n INTEGER ZONE ! UTM zone\n\n REAL X, X0 ! X-dimension origin\n REAL Y, Y0 ! Y-dimension origin\n\nC***********************************************************************\n\n X0 = SNGL( XORIG - 0.5D+00 * XCELL )\n Y0 = SNGL( YORIG - 0.5D+00 * YCELL )\n\n IF ( GDTYP .EQ. LATGRD3 ) THEN ! LAT_LON Coordinates\n\n LAT = Y0 + FLOAT( ROW ) * SNGL( YCELL )\n LON = X0 + FLOAT( COL ) * SNGL( XCELL )\n \n ELSE IF ( GDTYP .EQ. LAMGRD3 ) THEN ! Lambert Coordinates\n\n IF ( .NOT. SETLAM( SNGL( P_ALP ), ! first, initialize\n & SNGL( P_BET ), ! for LAM2LL()\n & SNGL( P_GAM ),\n & SNGL( XCENT ), \n & SNGL( YCENT ) ) ) THEN\n MSG = 'Lambert projection setup error for CTM CONC file'\n CALL M3EXIT ( PNAME, 0, 0, MSG, 2 )\n END IF\n \n X = X0 + FLOAT( COL ) * SNGL( XCELL )\n Y = Y0 + FLOAT( ROW ) * SNGL( YCELL )\n IF ( .NOT. LAM2LL( X, Y, LON, LAT ) ) THEN\n MSG = 'Lambert conversion error for CTM CONC file'\n CALL M3EXIT ( PNAME, 0, 0, MSG, 2 )\n END IF \n\n ELSE IF ( GDTYP .EQ. POLGRD3 ) THEN ! Polar Stereographic Projection\n\n IF ( .NOT. SETPOL( SNGL( P_ALP ), ! first, initialize\n & SNGL( P_BET ), ! for POL2LL()\n & SNGL( P_GAM ),\n & SNGL( XCENT ),\n & SNGL( YCENT ) ) ) THEN\n MSG='Polar stereographic projection setup error for CTM CONC file'\n CALL M3EXIT ( PNAME, 0, 0, MSG, 2 )\n END IF\n\n X = X0 + FLOAT( COL ) * SNGL( XCELL )\n Y = Y0 + FLOAT( ROW ) * SNGL( YCELL )\n IF ( .NOT. POL2LL( X, Y, LON, LAT ) ) THEN\n MSG = 'Polar stereographic conversion error for CTM CONC file'\n CALL M3EXIT ( PNAME, 0, 0, MSG, 2 )\n END IF\n\n ELSE IF ( GDTYP .EQ. EQMGRD3 ) THEN ! Equatorial Mercator Projection\n\n IF ( .NOT. SETEQM( SNGL( P_ALP ), ! first, initialize\n & SNGL( P_BET ), ! for EQM2LL()\n & SNGL( P_GAM ),\n & SNGL( XCENT ),\n & SNGL( YCENT ) ) ) THEN\n MSG='Equatorial mercator projection setup error for CTM CONC file'\n CALL M3EXIT ( PNAME, 0, 0, MSG, 2 )\n END IF\n\n X = X0 + FLOAT( COL ) * SNGL( XCELL )\n Y = Y0 + FLOAT( ROW ) * SNGL( YCELL )\n IF ( .NOT. EQM2LL( X, Y, LON, LAT ) ) THEN\n MSG = 'Equatorial mercator conversion error for CTM CONC file'\n CALL M3EXIT ( PNAME, 0, 0, MSG, 2 )\n END IF\n\n ELSE IF ( GDTYP .EQ. UTMGRD3 ) THEN ! UTM Coordinates\n\n ZONE = NINT( P_ALP )\n X = X0 + FLOAT( COL ) * SNGL( XCELL )\n Y = Y0 + FLOAT( ROW ) * SNGL( YCELL )\n CALL UTM2LL ( X, Y, ZONE, LON, LAT )\n\n ELSE ! Unsupported Coordinates\n\n WRITE( MSG, 94000) GDTYP\n CALL M3EXIT ( PNAME, 0, 0, MSG, 2 )\n\n END IF \n\n RETURN \n\nC************************* FORMAT Statements ***************************\n\n94000 FORMAT( 'LAT/LON calculations for GDTYP3D ',I1, ' not supported' )\n \n END\n" }, { "path": "PREP/icon/src/common/lr_interp.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/ICON/src/common/lr_interp.F,v 1.2 2011/10/21 16:41:52 yoj Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\n \n SUBROUTINE LR_INTERP ( L_RATINT, XA, YA, N, X, Y, DELY )\n\nC***********************************************************************\n \nC Function: Interpolates a value Y for a given X from the arrays XA and\nC YA. The flag L_RATINT determines whether linear or rational\nC function interpolation is done.\n \nC Preconditions: Extrapolation will be performed unless controlled by \nC the calling routine\n \nC Key Subroutines/Functions Called: None\n \nC Revision History:\nC Prototype created by Jerry Gipson, January, 1998\nC Rational Function Interpolation is from Numerical Recipes\nC (Press et al., 19??)\nC Linear interpolation equation modified by JG 6/1/99 to better treat\nC large conc gradients\nC Improved Linear interpolation algorithm by JG 4/18/00 for interpolants\nC close to interval end points\nC UTILIO_DEFN for M3EXIT by J.Young 6/9/11\nC replaced UTILIO_DEFN with M3UTILIO\n\nC***********************************************************************\n\n USE M3UTILIO ! IOAPI module\n\n IMPLICIT NONE \n\n \nC Arguments:\n LOGICAL, INTENT( IN ) :: L_RATINT ! Flag for rational function interpolation\n\n REAL, INTENT( IN ) :: XA( : ) ! Independent variable array\n REAL, INTENT( IN ) :: YA( : ) ! Dependent variable array\n REAL, INTENT( IN ) :: X ! Value of independent variable to be interpolated\n REAL, INTENT( OUT ) :: Y ! Interpolated value of dependent variable\n REAL, INTENT( OUT ) :: DELY ! Error estimate for rational function interpolation\n\n INTEGER, INTENT( IN ) :: N ! Number of values in arrays XA and YA\n \nC Parameters:\n INTEGER, PARAMETER :: NMAX = 100 ! Maximum number of points in arrays AX and YA\n REAL, PARAMETER :: TINY = 1.0E-35 ! Tiny number\n REAL, PARAMETER :: EPS = 1.0E-05 ! Small number\n\nC External Functions: None\n\nC Local Variables:\n CHARACTER( 16 ) :: PNAME = 'LR_INTERP' ! Procedure Name\n CHARACTER( 80 ) :: MSG ! Log message\n\n INTEGER I, M ! Loop indices\n INTEGER NS ! Rat Func temporary variable\n\n REAL DX ! Incremental delta of independent variable\n! REAL DY ! Incremental delta of dependent variable\n REAL SX ! Incremental independent value for interpolation \n REAL SLP ! Slope for linear interpolation\n\n REAL H, HH, T, DD, W ! Rat Func temporary variables\n\n REAL :: C( NMAX ) ! Rat Func temporary variable\n REAL :: D( NMAX ) ! Rat Func temporary variable\n\nC***********************************************************************\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Linear interpolation section\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( .NOT. L_RATINT ) THEN\n\n DELY = 0.0\n\n IF ( ( XA( 1 ) .LT. XA( 2 ) .AND. X .LE. XA( 1 ) ) .OR.\n & ( XA( 1 ) .GT. XA( 2 ) .AND. X .GE. XA( 1 ) ) ) THEN \n\n DX = XA( 2 ) - XA( 1 )\n\n IF ( DX .EQ. 0.0 ) THEN\n MSG = 'Invalid Independent variables for interpolation'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n\n Y = YA( 1 ) + ( ( X - XA( 1 ) ) / DX ) * YA( 1 )\n\n RETURN\n\n END IF\n\n IF ( ( XA( N ) .GT. XA( N - 1 ) .AND. X .GE. XA( N ) ) .OR.\n & ( XA( N ) .LT. XA( N - 1 ) .AND. X .LE. XA( N ) ) ) THEN \n\n DX = XA( N ) - XA( N - 1 )\n\n IF ( DX .EQ. 0.0 ) THEN\n MSG = 'Invalid Independent variables for interpolation'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n\n Y = YA( N ) + ( ( X - XA( N ) ) / DX ) * YA( N - 1 )\n\n RETURN\n\n END IF\n\n DO I = 1, N - 1\n\n DX = ABS( XA( I + 1 ) - XA( I ) )\n IF ( DX .EQ. 0.0 ) THEN\n MSG = 'Invalid Independent variables for interpolation'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n! DY = YA( I + 1 ) - YA( I )\n SX = ABS( X - XA( I ) )\n\n IF ( SX - DX .LT. EPS ) THEN\n\n! Y = YA( I ) + ( ( X - XA( I ) ) / \n! & ( XA( I + 1 ) - XA( I ) ) ) * DY\n\n SLP = ( X - XA( I ) ) / ( XA( I + 1 ) - XA( I ) )\n IF ( SLP .GT. 0.99999 ) SLP = 1.0\n IF ( SLP .LT. 0.00001 ) SLP = 0.0\n\n Y = ( 1.0 - SLP ) * YA( I ) + SLP * YA( I+1 )\n\n RETURN\n\n END IF\n\n END DO\n\n MSG = 'No interval found for linear interpolation'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT2 )\n\n END IF\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Rational function interpolation section\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n NS = 1\n HH = ABS( X - XA( 1 ) )\n\n DO I = 1, N\n H = ABS( X -XA( I ) )\n IF ( H .EQ. 0.0 ) THEN\n Y = YA( I )\n DELY = 0.0\n RETURN\n ELSE IF ( H .LT. HH ) THEN\n NS = I\n HH = H\n END IF\n C( I ) = YA( I )\n D( I ) = YA( I ) + TINY\n END DO\n\n Y = YA( NS )\n NS = NS - 1\n\n DO M = 1, N - 1\n DO I = 1, N - M\n W = C( I + 1 ) - D( I )\n H = XA( I + M ) - X\n T = ( XA( I ) - X ) * D( I ) / H\n DD = T - C( I + 1 )\n\n IF ( DD .EQ. 0.0 ) THEN\n MSG = 'Rational function interpolation error'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n DD = W / DD\n D( I ) = C( I + 1 ) * DD\n C( I ) = T * DD\n END DO\n\n IF ( 2 * NS .LT. N - M ) THEN\n DELY = C( NS + 1 )\n ELSE\n DELY = D( NS )\n NS = NS - 1\n END IF\n\n Y = Y + DELY\n\n END DO\n\n RETURN\n\n END\n" }, { "path": "PREP/icon/src/common/opn_ic_file.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/ICON/src/common/opn_ic_file.F,v 1.2 2011/10/21 16:41:52 yoj Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\n\n SUBROUTINE OPN_IC_FILE ( LOGUNIT, SDATE, STIME, TSTEP, NSPCS_OUT,\n & SPNAME_OUT, VTYPE_OUT, UNITS_OUT,\n & VDESC_OUT, IC_FNAME, RINDX )\n\nC***********************************************************************\n \nC Function: Sets most of the Models-3 file description parameters for \nC the IC output file and opens it.\n \nC Preconditions: None\n \nC Key Subroutines/Functions Called: None \n \nC Revision History:\nC Prototype created by Jerry Gipson, January, 1998\nC Error message problem fixed by JG 3/31/98\nC Output format modified by JG 4/24/98\nC Added units for aerosol surface area JG 4/22/99 \n \nC 02/15/00 David Wong, LM\nC -- changed NROWS to GL_NROWS and same for NCOLS\nC 01/24/02 Steve Howard (Jeff Young, Dave Wong) \nC -- dynamic allocation\nC 12/13/04 J.Young: vert dyn alloc - Use VGRD_DEFN\nC 06 Jun 11 J.Young: Replaced I/O API include files with UTILIO_DEFN\nC 13 Jun 11 J.Young: Convert for Namelist redesign\nC 21 May 12 J.Young: Replaced IC_PARMS include file with an F90 module\nC 07 Nov 18 S.Roselle: Removed parallel processing code; \nC replaced UTILIO_DEFN with M3UTILIO\n\nC***********************************************************************\n\n USE HGRD_DEFN ! Module to store and load the horizontal grid variables\n USE VGRD_DEFN ! vertical layer specifications\n USE M3UTILIO ! IOAPI module\n USE IC_PARMS ! ICON parameters\n\n IMPLICIT NONE \n\nC Arguments: \n CHARACTER( 16 ), INTENT( OUT ) :: IC_FNAME( : ) ! Logical names of IC Output file(s)\n CHARACTER( 16 ), INTENT( IN ) :: SPNAME_OUT( : ) ! Output file species names\n CHARACTER( 16 ), INTENT( IN ) :: UNITS_OUT( : )\n CHARACTER( 80 ), INTENT( IN ) :: VDESC_OUT( : )\n\n INTEGER, INTENT( IN ) :: LOGUNIT ! Unit number for output log\n INTEGER, INTENT( IN ) :: NSPCS_OUT ! Number of IC species on output file(s)\n INTEGER, INTENT( IN ) :: RINDX ! Index of root file name\n INTEGER, INTENT( IN ) :: SDATE ! Date for IC Output\n INTEGER, INTENT( IN ) :: STIME ! Time for IC output\n INTEGER, INTENT( IN ) :: TSTEP ! Timestep for IC Output\n INTEGER, INTENT( IN ) :: VTYPE_OUT( : ) ! Variable type (e.g. integer, real, ...)\n\nC Parameters: None\n\nC External Functions: None\n\nC Local Variables:\n CHARACTER( 16 ) :: BUF16 ! 16 character buffer\n CHARACTER( 3 ) :: CHRDAT ! 3 character buffer\n CHARACTER( 16 ) :: ENV_DFLT ! Default value for env variable\n CHARACTER( 80 ) :: ENV_DESC ! Description of env variable \n CHARACTER( 80 ) :: MSG ! Log message\n CHARACTER( 16 ) :: PNAME = 'OPN_IC_FILE' ! Procedure Name\n CHARACTER( 256 ) :: RET_VAL ! Return value of an env variable\n\n INTEGER L, N, V ! Loop indices\n INTEGER NUMFLS ! Number of output IC files\n INTEGER SPOS1, EPOS1 ! Start and end position of char string\n INTEGER SPOS2, EPOS2 ! Start and end position of char string\n INTEGER STATUS ! Status code\n INTEGER VARINDX ! Variable index\n\nC***********************************************************************\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Write log information\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n WRITE( LOGUNIT, 92000 )\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get the value of environment variable EXECUTION_ID\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n ENV_DESC = 'Value of environment variable EXECUTION_ID' \n ENV_DFLT = '-----------' \n CALL ENVSTR ( 'EXECUTION_ID', ENV_DESC, ENV_DFLT, RET_VAL, STATUS )\n EXECN3D = RET_VAL\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Set start date, start time, and time step\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n SDATE3D = SDATE\n STIME3D = STIME\n TSTEP3D = TSTEP\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Set start date, start time, and time step\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n FTYPE3D = GRDDED3\n NVARS3D = NSPCS_OUT\n NCOLS3D = NCOLS\n NROWS3D = NROWS\n NLAYS3D = NLAYS\n NTHIK3D = NTHIK\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Set coordinate data\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n! GDNAM3D = GDNAME_GD ! e.g. / 'EAST_US' /\n GDNAM3D = GRID_NAME ! from HGRD_DEFN\n GDTYP3D = GDTYP_GD ! / LAMGRD3 /\n P_ALP3D = P_ALP_GD ! / 30.0 / ! degrees\n P_BET3D = P_BET_GD ! / 60.0 / ! degrees\n P_GAM3D = P_GAM_GD ! / -90.0 / ! degrees\n\n XCENT3D = XCENT_GD ! / -90.0 / ! degrees longitude\n YCENT3D = YCENT_GD ! / 40.0 / ! degrees latitude\n XORIG3D = XORIG_GD ! / -880000.0 / ! m, for cross grid here\n YORIG3D = YORIG_GD ! / -1720000.0 / ! m, for cross grid here\n XCELL3D = XCELL_GD ! / 80000.0 / ! m\n YCELL3D = YCELL_GD ! / 80000.0 / ! m\n\n VGTYP3D = VGTYP_GD ! / VGSGPN3 / ! 2: Sigma-P0\n VGTOP3D = VGTOP_GD ! / 10000.0 / ! Pa\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Set vertical levels\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n DO L = 1, NLAYS + 1\n VGLVS3D ( L ) = VGLVS_GD ( L )\n END DO \n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Set character descriptors\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n DO N = 1, MXDESC3\n FDESC3D( N ) = ' '\n UPDSC3D( N ) = ' '\n END DO\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Set-up output file header data, compute the number of output\nc files needed, and open each one\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( MOD( NSPCS_OUT, MXVARS3 ) .EQ. 0 ) THEN\n NUMFLS = NSPCS_OUT / MXVARS3\n ELSE\n NUMFLS = ( NSPCS_OUT / MXVARS3 ) + 1\n END IF\n \n WRITE( LOGUNIT, 92020 ) NUMFLS\n\n DO N = 1, NUMFLS\n\n WRITE( CHRDAT, '( I3 )' ) N\n SPOS1 = LBLANK ( CHRDAT ) + 1\n EPOS1 = LEN_TRIM( CHRDAT )\n\n SPOS2 = LBLANK ( ICFL_ROOT( RINDX ) ) + 1\n EPOS2 = LEN_TRIM( ICFL_ROOT( RINDX ) )\n\n BUF16 = ICFL_ROOT( RINDX )\n\n IC_FNAME( N ) = BUF16( SPOS2:EPOS2 ) // CHRDAT( SPOS1:EPOS1 )\n\n ENV_DESC = 'IC Output file ' // IC_FNAME( N ) \n ENV_DFLT = ' ' \n CALL ENVSTR ( IC_FNAME( N ), ENV_DESC, ENV_DFLT, RET_VAL, STATUS )\n\n IF ( STATUS .NE. 0 ) THEN\n MSG = 'IC output file ' // IC_FNAME( N ) // ' not assigned' \n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n\n FDESC3D( 1 ) = 'ICON output file ' // IC_FNAME( N )\n NVARS3D = MIN( MXVARS3,\n & ( NSPCS_OUT - ( N - 1 ) * MXVARS3 ) )\n \n DO V = 1, NVARS3D\n\n VARINDX = ( N - 1 ) * MXVARS3 + V\n VTYPE3D( V ) = VTYPE_OUT( VARINDX )\n VNAME3D( V ) = SPNAME_OUT( VARINDX )\n UNITS3D( V ) = UNITS_OUT( VARINDX )\n VDESC3D( V ) = VDESC_OUT( VARINDX )\n \n END DO\n \n WRITE( LOGUNIT, 92040 ) N, IC_FNAME( N )\n\n WRITE( LOGUNIT, 92060 ) EXECN3D, FTYPE3D, SDATE3D, STIME3D,\n & TSTEP3D, NCOLS3D, NROWS3D, NLAYS3D,\n & NTHIK3D, NVARS3D, GDTYP3D, P_ALP3D,\n & P_BET3D, P_GAM3D, XCENT3D, YCENT3D,\n & XORIG3D, YORIG3D, XCELL3D, YCELL3D,\n & VGTYP3D, VGTOP3D, GDNAM3D \n\n WRITE( LOGUNIT, 92080 ) ( VGLVS3D( L ), L = 1, NLAYS + 1 )\n\n WRITE( LOGUNIT, 92100 )\n\n DO V = 1, NVARS3D\n WRITE( LOGUNIT, 92120 ) VNAME3D( V ), VTYPE3D( V ),\n & UNITS3D( V ), TRIM( VDESC3D( V ) )\n END DO\n\n IF ( .NOT. OPEN3( IC_FNAME( N ), FSUNKN3, PNAME ) ) THEN\n MSG = 'Could not open nor create ' // IC_FNAME( N ) //\n & ' file '\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n END DO\n\n RETURN\n\nC************************* FORMAT STATEMENTS ***************************\n\n92000 FORMAT( // 1X, 79( '#' ) \n & / 1X, '# Output File Section '\n & / 1X, 79( '#' ) )\n\n92020 FORMAT( // 5X, 'Total number of ouput files created: ', I1 )\n\n92040 FORMAT( // 5X, 'IO/API Header data for IC file ', I1, ': ', A )\n92060 FORMAT( /10X, 'EXEC_ID: ', A \n & /10X, 'FTYPE = ', I4 \n & /10X, 'SDATE = ', I7\n & /10X, 'STIME = ', I7\n & /10X, 'TSTEP = ', I7\n & /10X, 'NCOLS = ', I4\n & /10X, 'NROWS = ', I4\n & /10X, 'NLAYS = ', I4\n & /10X, 'NTHIK = ', I4\n & /10X, 'NVARS = ', I4\n & /10X, 'GDTYP = ', I4\n & /10X, 'P_ALP = ', 1PE14.5\n & /10X, 'P_BET = ', 1PE14.5\n & /10X, 'P_GAM = ', 1PE14.5\n & /10X, 'XCENT = ', 1PE14.5\n & /10X, 'YCENT = ', 1PE14.5\n & /10X, 'XORIG = ', 1PE14.5\n & /10X, 'YORIG = ', 1PE14.5\n & /10X, 'XCELL = ', 1PE14.5\n & /10X, 'YCELL = ', 1PE14.5\n & /10X, 'VGTYP = ', I4\n & /10X, 'VGTOP = ', 1PE14.5 \n & /10X, 'GDNAM = ', A ) \n92080 FORMAT( /10X, 'VGLVS = ', 5 ( 1PE14.5 ) /\n & ( 10X, ' ', 5 ( 1PE14.5 ) ) )\n92100 FORMAT( //10X, 'Output Variables:'\n & /10X, 'Name', 15X, 'Type', 2X, 'Units', 13X, 'Description' )\n92120 FORMAT( 10X, A16, 5X, I1, 3X, A16, 2X, A ) \n\n END\n" }, { "path": "PREP/icon/src/m3conc/m3_ck_ctmmet.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/ICON/src/m3conc/m3_ck_ctmmet.F,v 1.2 2011/10/21 16:41:53 yoj Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\n\n SUBROUTINE CK_CTMMET_FL ( LOGUNIT, SDATE, STIME, CTM_FL_NAME )\n\nC***********************************************************************\n \nC Function: To check input MET_CRO_3D_CRS file for consistency with\nC the CTM_CONC file\n \nC Preconditions: None\n \nC Key Subroutines/Functions Called: None\n \nC Revision History: Prototype created by Jerry Gipson, May, 1999\nC 08 Jun 11 J.Young: Replaced I/O API include files with UTILIO_DEFN\nC 21 May 12 J.Young: Replaced IC_PARMS include file with an F90 module\nC 06 Nov 18 S.Roselle: Replaced UTILIO_DEFN with M3UTILIO\nC 10 June 19 F. Sidi : Corrected data byte mismatch between IOAPI and ICON\n\nC***********************************************************************\n\n USE M3UTILIO ! IOAPI module\n USE IC_PARMS ! ICON parameters\n\n IMPLICIT NONE \n\nC Arguments:\n CHARACTER( 16 ), INTENT( IN ) :: CTM_FL_NAME( : ) ! Names of CTM files\n\n INTEGER, INTENT( IN ) :: LOGUNIT ! Unit number for output log\n INTEGER, INTENT( IN ) :: SDATE ! Start date\n INTEGER, INTENT( IN ) :: STIME ! Start time\n\nC Parameters: None\n\nC External Functions: None\n\nC Local Variables:\n CHARACTER( 80 ) :: MSG = ' ' ! Log message\n CHARACTER( 16 ) :: PNAME = 'CK_CTMMET_FL' ! Procedure Name\n CHARACTER( 15 ) :: VAL1 ! Character value of real\n CHARACTER( 15 ) :: VAL2 ! Character value of real\n\n INTEGER L ! Loop index\n INTEGER FTYPE1 ! File 1 file type\n INTEGER NCOLS1 ! File 1 number of columns\n INTEGER NROWS1 ! File 1 number of rows\n INTEGER NLAYS1 ! File 1 number of levels\n INTEGER NTHIK1 ! File 1 boundary thickness\n INTEGER GDTYP1 ! File 1 horizontal grid type\n INTEGER VGTYP1 ! File 1 Vertical coordinate type\n INTEGER ALLOCSTAT ! Status returned from array allocation\n\n LOGICAL LERROR ! Error Flag\n \n REAL*8 :: P_ALP1 ! File 1 map projection parameter \n REAL*8 :: P_BET1 ! File 1 map projection parameter \n REAL*8 :: P_GAM1 ! File 1 map projection parameter\n REAL*8 :: XORIG1 ! File 1 X-origin\n REAL*8 :: YORIG1 ! File 1 Y-origin\n REAL*8 :: XCELL1 ! File 1 X-dimension of cells\n REAL*8 :: YCELL1 ! File 1 Y-dimension of cells\n REAL*8 :: XCENT1 ! File 1 X-center of coordinate system\n REAL*8 :: YCENT1 ! File 1 Y-center of coordinate system\n REAL :: VGTOP1 ! File 1 model top\n\n REAL, ALLOCATABLE :: VGLVS1( : ) ! File vertical layer heights\n\nC***********************************************************************\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Write out report data\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n MSG = 'MET_CRO_3D_CRS File being checked for ' //\n & 'consistent header data' \n CALL M3MESG( MSG )\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get header data for CTM file 1 and create a list of species in the\nc CTM files\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( .NOT. DESC3 ( CTM_FL_NAME( 1 ) ) ) THEN\n MSG = 'Could not read DESC of ' // CTM_FL_NAME( 1 ) \n & // ' file'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n\n FTYPE1 = FTYPE3D\n NCOLS1 = NCOLS3D\n NROWS1 = NROWS3D\n NLAYS1 = NLAYS3D\n NTHIK1 = NTHIK3D\n GDTYP1 = GDTYP3D\n P_ALP1 = P_ALP3D\n P_BET1 = P_BET3D\n P_GAM1 = P_GAM3D\n XORIG1 = XORIG3D\n YORIG1 = YORIG3D\n XCELL1 = XCELL3D\n YCELL1 = YCELL3D\n XCENT1 = XCENT3D\n YCENT1 = YCENT3D\n VGTYP1 = VGTYP3D\n VGTOP1 = VGTOP3D\n\n ALLOCATE( VGLVS1( NLAYS1+1 ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n MSG = 'Failure allocating VGLVS1'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n DO L = 1 , NLAYS1 + 1\n VGLVS1( L ) = VGLVS3D( L )\n END DO\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Open the MET_CRO_3D_CRS file\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( .NOT. OPEN3( MET_CRO_3D_CRS, FSREAD3, PNAME ) ) THEN\n MSG = 'Could not open ' // MET_CRO_3D_CRS // ' file'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n IF ( .NOT. DESC3( MET_CRO_3D_CRS ) ) THEN\n MSG = 'Could not read DESC of ' // MET_CRO_3D_CRS \n & // ' file'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Check MET_CRO_3D_CRS file\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n WRITE( MSG, '( '' Differences found between files '', A, \n & '' and '', A, '':'' )' ) CTM_FL_NAME( 1 ), \n & MET_CRO_3D_CRS\n\n CALL M3MESG( MSG )\n\n LERROR = .FALSE.\n \n IF ( FTYPE1 .NE. FTYPE3D ) THEN\n WRITE( LOGUNIT, 94020 ) FTYPE1, FTYPE3D\n LERROR = .TRUE.\n END IF\n\n IF ( GDTYP1 .NE. GDTYP3D ) THEN\n WRITE( LOGUNIT, 94200 ) GDTYP1, GDTYP3D\n LERROR = .TRUE.\n END IF\n\n WRITE( VAL1, 94000 ) P_ALP1\n WRITE( VAL2, 94000 ) P_ALP3D\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94220 ) P_ALP1, P_ALP3D\n LERROR = .TRUE.\n END IF\n\n WRITE( VAL1, 94000 ) P_BET1\n WRITE( VAL2, 94000 ) P_BET3D\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94240 ) P_BET1, P_BET3D\n LERROR = .TRUE.\n END IF\n\n WRITE( VAL1, 94000 ) P_GAM1\n WRITE( VAL2, 94000 ) P_GAM3D\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94260 ) P_GAM1, P_GAM3D\n LERROR = .TRUE.\n END IF\n\n WRITE( VAL1, 94000 ) XORIG1\n WRITE( VAL2, 94000 ) XORIG3D\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94280 ) XORIG1, XORIG3D\n LERROR = .TRUE.\n END IF\n\n WRITE( VAL1, 94000 ) YORIG1\n WRITE( VAL2, 94000 ) YORIG3D\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94300 ) YORIG1, YORIG3D\n LERROR = .TRUE.\n END IF\n\n WRITE( VAL1, 94000 ) XCELL1\n WRITE( VAL2, 94000 ) XCELL3D\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94320 ) XCELL1, XCELL3D\n LERROR = .TRUE.\n END IF\n\n WRITE( VAL1, 94000 ) YCELL1\n WRITE( VAL2, 94000 ) YCELL3D\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94340 ) YCELL1, YCELL3D\n LERROR = .TRUE.\n END IF\n\n WRITE( VAL1, 94000 ) XCENT1\n WRITE( VAL2, 94000 ) XCENT3D\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94360 ) XCENT1, XCENT3D\n LERROR = .TRUE.\n END IF\n\n WRITE( VAL1, 94000 ) YCENT1\n WRITE( VAL2, 94000 ) YCENT3D\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94380 ) YCENT1, YCENT3D\n LERROR = .TRUE.\n END IF\n\n WRITE( VAL1, 94000 ) VGTOP1\n WRITE( VAL2, 94000 ) VGTOP3D\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94420 ) VGTOP1, VGTOP3D\n LERROR = .TRUE.\n END IF\n\n DO L = 1 , NLAYS1 + 1\n WRITE( VAL1, 94000 ) VGLVS1( L )\n WRITE( VAL2, 94000 ) VGLVS3D( L )\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94440 ) L, VGLVS1( L ), L,\n & VGLVS3D( L ) \n LERROR = .TRUE.\n END IF\n END DO\n \n! IF ( .NOT. CHECK3( MET_CRO_3D_CRS, 'ALL', SDATE, STIME ) ) THEN\n! MSG = 'Requested time is not on the ' // MET_CRO_3D_CRS\n! & // ' file'\n! WRITE( LOGUNIT, 94480 ) MSG\n! LERROR = .TRUE.\n! END IF\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc If inconsistency found, then stop, else return\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( .NOT. LERROR ) THEN\n WRITE( LOGUNIT, 94460 )\n ELSE\n MSG = 'MET_CRO_3D_CRS file inconsistent: stopping' \n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n\n RETURN\n\nC************************* FORMAT STATEMENTS ***************************\n\n94000 FORMAT( E15.5 )\n94020 FORMAT( 10X, 'CTM_CONC_1 FTYPE = ', I3, 3X, 'MET_CRO_3D_CRS FTYPE = ', I3 )\n94200 FORMAT( 10X, 'CTM_CONC_1 GDTYP = ', I3, 3X, 'MET_CRO_3D_CRS GDTYP = ', I3 )\n94220 FORMAT( 10X, 'CTM_CONC_1 P_ALP = ', 1PE12.5, 3X, 'MET_CRO_3D_CRS P_ALP = ', 1PE12.5 )\n94240 FORMAT( 10X, 'CTM_CONC_1 P_BET = ', 1PE12.5, 3X, 'MET_CRO_3D_CRS P_BET = ', 1PE12.5 )\n94260 FORMAT( 10X, 'CTM_CONC_1 P_GAM = ', 1PE12.5, 3X, 'MET_CRO_3D_CRS P_GAM = ', 1PE12.5 )\n94280 FORMAT( 10X, 'CTM_CONC_1 XORIG = ', 1PE12.5, 3X, 'MET_CRO_3D_CRS XORIG = ', 1PE12.5 )\n94300 FORMAT( 10X, 'CTM_CONC_1 YORIG = ', 1PE12.5, 3X, 'MET_CRO_3D_CRS YORIG = ', 1PE12.5 )\n94320 FORMAT( 10X, 'CTM_CONC_1 XCELL = ', 1PE12.5, 3X, 'MET_CRO_3D_CRS XCELL = ', 1PE12.5 )\n94340 FORMAT( 10X, 'CTM_CONC_1 YCELL = ', 1PE12.5, 3X, 'MET_CRO_3D_CRS YCELL = ', 1PE12.5 )\n94360 FORMAT( 10X, 'CTM_CONC_1 XCENT = ', 1PE12.5, 3X, 'MET_CRO_3D_CRS XCENT = ', 1PE12.5 )\n94380 FORMAT( 10X, 'CTM_CONC_1 YCENT = ', 1PE12.5, 3X, 'MET_CRO_3D_CRS YCENT = ', 1PE12.5 )\n94420 FORMAT( 10X, 'CTM_CONC_1 VGTOP = ', 1PE12.5, 3X, 'MET_CRO_3D_CRS VGTOP = ', 1PE12.5 )\n94440 FORMAT( 10X, 'CTM_CONC_1 VGLVS(', I2, ' ) = ', 1PE12.5,\n & 'MET_CRO_3D_CRS VGLVS(', I2, ' ) = ', 1PE12.5 )\n94460 FORMAT( 10X, 'NONE' )\n94480 FORMAT( A )\n\n END\n" }, { "path": "PREP/icon/src/m3conc/m3_ck_ctms.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/ICON/src/m3conc/m3_ck_ctms.F,v 1.2 2011/10/21 16:41:54 yoj Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\n SUBROUTINE CK_CTM_FLS ( LOGUNIT, N_CTM_FLS, CTM_FL_NAME )\n\nC***********************************************************************\n \nC Function: To check multiple input CTM conc files for consistent\nC header data\n \nC Preconditions: None\n \nC Key Subroutines/Functions Called: None\n \nC Revision History: Prototype created by Jerry Gipson, January, 1998\nC Modified by JG May, 1999 to change way reals are\nC checked\nC 08 Jun 11 J.Young: Replaced I/O API include files with UTILIO_DEFN\nC 21 May 12 J.Young: Replaced IC_PARMS include file with an F90 module\nC 06 Nov 18 S.Roselle: Replaced UTILIO_DEFN with M3UTILIO\nC 10 June 19 F Sidi : Corrected data byte mismatch between IOAPI and ICON\nC***********************************************************************\n\n USE M3UTILIO ! IOAPI module\n USE IC_PARMS ! ICON parameters\n\n IMPLICIT NONE \n\nC Arguments:\n INTEGER, INTENT( IN ) :: LOGUNIT ! Unit number for output log\n INTEGER, INTENT( IN ) :: N_CTM_FLS ! Number of input CTM files\n CHARACTER( 16 ), INTENT( IN ) :: CTM_FL_NAME( : ) ! Name of CTM file\n\nC Parameters: None\n\nC External Functions: None\n\nC Local Variables:\n CHARACTER( 80 ) :: MSG ! Log message\n CHARACTER( 16 ) :: PNAME = 'CK_CTM_FLS' ! Procedure Name\n CHARACTER( 15 ) :: VAL1 ! Character value of real\n CHARACTER( 15 ) :: VAL2 ! Character value of real\n\n INTEGER L, N ! Loop indices\n INTEGER FTYPE1 ! File 1 file type\n INTEGER NCOLS1 ! File 1 number of columns\n INTEGER NROWS1 ! File 1 number of rows\n INTEGER NLAYS1 ! File 1 number of levels\n INTEGER SDATE1 ! File 1 start date\n INTEGER STIME1 ! File 1 start time\n INTEGER TSTEP1 ! File 1 time step\n INTEGER MXREC1 ! File 1 number of time steps\n INTEGER NTHIK1 ! File 1 boundary thickness\n INTEGER GDTYP1 ! File 1 horizontal grid type\n INTEGER VGTYP1 ! File 1 Vertical coordinate type\n INTEGER ALLOCSTAT ! Status returned from array allocation\n\n LOGICAL LERROR ! Error Flag\n LOGICAL LSTOP ! Exit Flag\n\n REAL*8 :: P_ALP1 ! File 1 map projection parameter \n REAL*8 :: P_BET1 ! File 1 map projection parameter \n REAL*8 :: P_GAM1 ! File 1 map projection parameter\n REAL*8 :: XORIG1 ! File 1 X-origin\n REAL*8 :: YORIG1 ! File 1 Y-origin\n REAL*8 :: XCELL1 ! File 1 X-dimension of cells\n REAL*8 :: YCELL1 ! File 1 Y-dimension of cells\n REAL*8 :: XCENT1 ! File 1 X-center of coordinate system\n REAL*8 :: YCENT1 ! File 1 Y-center of coordinate system\n REAL VGTOP1 ! File 1 model top\n\n REAL, ALLOCATABLE :: VGLVS1( : ) ! File vertical layer heights\n\nC***********************************************************************\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Write out report data\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n MSG = 'Multiple CTM Concentration files being used for ICs' \n CALL M3WARN ( PNAME, 0, 0, MSG )\n MSG = ' Files being checked for consistent header data' \n CALL M3MESG ( MSG )\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get header data for CTM file 1\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( .NOT. DESC3( CTM_FL_NAME( 1 ) ) ) THEN\n MSG = 'Could not read DESC of ' // CTM_FL_NAME( 1 ) \n & // ' file'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n\n FTYPE1 = FTYPE3D\n NCOLS1 = NCOLS3D\n NROWS1 = NROWS3D\n NLAYS1 = NLAYS3D\n SDATE1 = SDATE3D\n STIME1 = STIME3D\n TSTEP1 = TSTEP3D\n MXREC1 = MXREC3D\n NTHIK1 = NTHIK3D\n GDTYP1 = GDTYP3D\n P_ALP1 = P_ALP3D\n P_BET1 = P_BET3D\n P_GAM1 = P_GAM3D\n XORIG1 = XORIG3D\n YORIG1 = YORIG3D\n XCELL1 = XCELL3D\n YCELL1 = YCELL3D\n XCENT1 = XCENT3D\n YCENT1 = YCENT3D\n VGTYP1 = VGTYP3D\n VGTOP1 = VGTOP3D\n\n ALLOCATE( VGLVS1( NLAYS1+1 ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n MSG = 'Failure allocating VGLVS1'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n DO N = 1 , NLAYS1 + 1\n VGLVS1( N ) = VGLVS3D( N )\n END DO\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Compare header data on file 1 with header data on other CTM files\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n LSTOP = .FALSE.\n\n DO N = 2, N_CTM_FLS\n\n WRITE( MSG, '( '' Differences found between files '', A, \n & '' and '', A, '':'' )' ) CTM_FL_NAME( 1 ), \n & CTM_FL_NAME( N )\n\n LERROR = .FALSE.\n\n IF ( .NOT. DESC3 ( CTM_FL_NAME( N ) ) ) THEN\n MSG = 'Could not read DESC of ' // CTM_FL_NAME( N ) \n & // ' file'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n \n IF ( FTYPE1 .NE. FTYPE3D ) THEN\n WRITE( LOGUNIT, 94020 ) FTYPE1, N, FTYPE3D\n LERROR = .TRUE.\n END IF\n\n IF ( NCOLS1 .NE. NCOLS3D ) THEN\n WRITE( LOGUNIT, 94040 ) NCOLS1, N, NCOLS3D\n LERROR = .TRUE.\n END IF\n\n IF ( NROWS1 .NE. NROWS3D ) THEN\n WRITE( LOGUNIT, 94060 ) NROWS1, N, NROWS3D\n LERROR = .TRUE.\n END IF\n\n IF ( NLAYS1 .NE. NLAYS3D ) THEN\n WRITE( LOGUNIT, 94080 ) NLAYS1, N, NLAYS3D\n LERROR = .TRUE.\n END IF\n\n IF ( SDATE1 .NE. SDATE3D ) THEN\n WRITE( LOGUNIT, 94100 ) SDATE1, N, SDATE3D\n LERROR = .TRUE.\n END IF\n\n IF ( STIME1 .NE. STIME3D ) THEN\n WRITE( LOGUNIT, 94120 ) STIME1, N, STIME3D\n LERROR = .TRUE.\n END IF\n\n IF ( TSTEP1 .NE. TSTEP3D ) THEN\n WRITE( LOGUNIT, 94140 ) TSTEP1, N, TSTEP3D\n LERROR = .TRUE.\n END IF\n\n IF ( MXREC1 .NE. MXREC3D ) THEN\n WRITE( LOGUNIT, 94160 ) MXREC1, N, MXREC3D\n LERROR = .TRUE.\n END IF\n\n IF ( NTHIK1 .NE. NTHIK3D ) THEN\n WRITE( LOGUNIT, 94180 ) NTHIK1, N, NTHIK3D\n LERROR = .TRUE.\n END IF\n\n IF ( GDTYP1 .NE. GDTYP3D ) THEN\n WRITE( LOGUNIT, 94200 ) GDTYP1, N, GDTYP3D\n LERROR = .TRUE.\n END IF\n\n WRITE( VAL1, 94000 ) P_ALP1\n WRITE( VAL2, 94000 ) P_ALP3D\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94220 ) P_ALP1, N, P_ALP3D\n LERROR = .TRUE.\n END IF\n\n WRITE( VAL1, 94000 ) P_BET1\n WRITE( VAL2, 94000 ) P_BET3D\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94240 ) P_BET1, N, P_BET3D\n LERROR = .TRUE.\n END IF\n\n WRITE( VAL1, 94000 ) P_GAM1\n WRITE( VAL2, 94000 ) P_GAM3D\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94260 ) P_GAM1, N, P_GAM3D\n LERROR = .TRUE.\n END IF\n\n WRITE( VAL1, 94000 ) XORIG1\n WRITE( VAL2, 94000 ) XORIG3D\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94280 ) XORIG1, N, XORIG3D\n LERROR = .TRUE.\n END IF\n\n WRITE( VAL1, 94000 ) YORIG1\n WRITE( VAL2, 94000 ) YORIG3D\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94300 ) YORIG1, N, YORIG3D\n LERROR = .TRUE.\n END IF\n\n WRITE( VAL1, 94000 ) XCELL1\n WRITE( VAL2, 94000 ) XCELL3D\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94320 ) XCELL1, N, XCELL3D\n LERROR = .TRUE.\n END IF\n\n WRITE( VAL1, 94000 ) YCELL1\n WRITE( VAL2, 94000 ) YCELL3D\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94340 ) YCELL1, N, YCELL3D\n LERROR = .TRUE.\n END IF\n\n WRITE( VAL1, 94000 ) XCENT1\n WRITE( VAL2, 94000 ) XCENT3D\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94360 ) XCENT1, N, XCENT3D\n LERROR = .TRUE.\n END IF\n\n WRITE( VAL1, 94000 ) YCENT1\n WRITE( VAL2, 94000 ) YCENT3D\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94380 ) YCENT1, N, YCENT3D\n LERROR = .TRUE.\n END IF\n\n WRITE( VAL1, 94000 ) VGTOP1\n WRITE( VAL2, 94000 ) VGTOP3D\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94420 ) VGTOP1, N, VGTOP3D\n LERROR = .TRUE.\n END IF\n\n DO L = 1 , NLAYS1 + 1\n WRITE( VAL1, 94000 ) VGLVS1( L )\n WRITE( VAL2, 94000 ) VGLVS3D( L )\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94440 ) L, VGLVS1( L ), N, L,\n & VGLVS3D( L ) \n LERROR = .TRUE.\n END IF\n END DO\n \n IF ( .NOT. LERROR ) THEN\n WRITE( LOGUNIT, 94460 )\n ELSE\n LSTOP = .TRUE.\n END IF\n\n END DO\n\n IF ( LSTOP ) THEN\n MSG = 'CTM File inconsistencies detected: stopping' \n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n \n RETURN\n\nC************************* FORMAT STATEMENTS ***************************\n\n94000 FORMAT( E15.5 )\n94020 FORMAT( 10X, 'FTYPE1 = ', I3, ' FTYPE', I1, ' = ', I3 )\n94040 FORMAT( 10X, 'NCOLS1 = ', I3, ' NCOLS', I1, ' = ', I3 )\n94060 FORMAT( 10X, 'NROWS1 = ', I3, ' NROWS', I1, ' = ', I3 )\n94080 FORMAT( 10X, 'NLAYS1 = ', I3, ' NLAYS', I1, ' = ', I3 )\n94100 FORMAT( 10X, 'SDATE1 = ', I3, ' SDATE', I1, ' = ', I3 )\n94120 FORMAT( 10X, 'STIME1 = ', I3, ' STIME', I1, ' = ', I3 )\n94140 FORMAT( 10X, 'TSTEP1 = ', I3, ' TSTEP', I1, ' = ', I3 )\n94160 FORMAT( 10X, 'MXREC1 = ', I3, ' MXREC', I1, ' = ', I3 )\n94180 FORMAT( 10X, 'NTHIK1 = ', I3, ' NTHIK', I1, ' = ', I3 )\n94200 FORMAT( 10X, 'GDTYP1 = ', I3, ' GDTYP', I1, ' = ', I3 )\n94220 FORMAT( 10X, 'P_ALP1 = ', 1PE12.5, ' P_ALP', I1, ' = ', 1PE12.5 )\n94240 FORMAT( 10X, 'P_BET1 = ', 1PE12.5, ' P_BET', I1, ' = ', 1PE12.5 )\n94260 FORMAT( 10X, 'P_GAM1 = ', 1PE12.5, ' P_GAM', I1, ' = ', 1PE12.5 )\n94280 FORMAT( 10X, 'XORIG1 = ', 1PE12.5, ' XORIG', I1, ' = ', 1PE12.5 )\n94300 FORMAT( 10X, 'YORIG1 = ', 1PE12.5, ' YORIG', I1, ' = ', 1PE12.5 )\n94320 FORMAT( 10X, 'XCELL1 = ', 1PE12.5, ' XCELL', I1, ' = ', 1PE12.5 )\n94340 FORMAT( 10X, 'YCELL1 = ', 1PE12.5, ' YCELL', I1, ' = ', 1PE12.5 )\n94360 FORMAT( 10X, 'XCENT1 = ', 1PE12.5, ' XCENT', I1, ' = ', 1PE12.5 )\n94380 FORMAT( 10X, 'YCENT1 = ', 1PE12.5, ' YCENT', I1, ' = ', 1PE12.5 )\n94420 FORMAT( 10X, 'VGTOP1 = ', 1PE12.5, ' VGTOP', I1, ' = ', 1PE12.5 )\n94440 FORMAT( 10X, 'VGLVS1(', I2, ' ) = ', 1PE12.5, ' VGLVS', I1,\n & '(', I2, ' ) = ', 1PE12.5 )\n94460 FORMAT( 10X, 'NONE' )\n\n END\n" }, { "path": "PREP/icon/src/m3conc/m3_ck_icmet.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/ICON/src/m3conc/m3_ck_icmet.F,v 1.2 2011/10/21 16:41:54 yoj Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\n\n SUBROUTINE CK_ICMET_FL ( LOGUNIT, SDATE, STIME )\n\nC***********************************************************************\n \nC Function: To check input MET_CRO_3D_FIN file for consistency with\nC the LAYER_FILE/VGRD_DEFN data\n \nC Preconditions: None\n \nC Key Subroutines/Functions Called: None\n \nC Revision History:\nC Prototype created by Jerry Gipson, May, 1999\nC 01/24/02 Steve Howard (Jeff Young) - dynamic allocation\nC 12/13/04 J.Young: vert dyn alloc - Use VGRD_DEFN\nC 09 Jun 11 J.Young: Replaced I/O API include files with UTILIO_DEFN\nC 21 May 12 J.Young: Replaced IC_PARMS include file with an F90 module\nC 06 Nov 18 S.Roselle: Replaced UTILIO_DEFN with M3UTILIO\n \nC***********************************************************************\n\n USE HGRD_DEFN ! Module to store and load the horizontal grid variables\n USE VGRD_DEFN ! vertical layer specifications\n USE M3UTILIO ! IOAPI module\n USE IC_PARMS ! ICON parameters\n\n IMPLICIT NONE \n\nC Arguments:\n INTEGER, INTENT( IN ) :: LOGUNIT ! Unit number for output log\n INTEGER, INTENT( IN ) :: SDATE ! Start date\n INTEGER, INTENT( IN ) :: STIME ! Start time\n\nC Parameters: None\n\nC External Functions: None\n\nC Local Variables:\n CHARACTER( 80 ) :: MSG ! Log message\n CHARACTER( 16 ) :: PNAME = 'CK_ICMET_FL' ! Procedure Name\n CHARACTER( 15 ) :: VAL1 ! Character value of real\n CHARACTER( 15 ) :: VAL2 ! Character value of real\n\n INTEGER JDATE ! Current date\n INTEGER JTIME ! Current time\n INTEGER L ! Loop index\n\n LOGICAL LERROR ! Error Flag\n \nC***********************************************************************\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Write out report data\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n MSG = 'Checking MET_CRO_3D_FIN File for consistent ' //\n & 'header data' \n CALL M3MESG ( MSG )\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get header data for MET_CRO_3D_FIN file\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( .NOT. OPEN3 ( MET_CRO_3D_FIN, FSREAD3, PNAME ) ) THEN\n MSG = 'Could not open ' // MET_CRO_3D_FIN // ' file'\n CALL M3EXIT ( PNAME, JDATE , JTIME, MSG, XSTAT1 )\n END IF\n\n IF ( .NOT. DESC3 ( MET_CRO_3D_FIN ) ) THEN\n MSG = 'Could not read DESC of ' // MET_CRO_3D_FIN \n & // ' file'\n CALL M3EXIT ( PNAME, JDATE, JTIME, MSG, XSTAT2 )\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Check MET_CRO_3D_FIN file for consistency with GRIDDESC\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n LERROR = .FALSE.\n \n IF ( FTYPE3D .NE. GRDDED3 ) THEN\n WRITE( LOGUNIT, 94020 ) FTYPE3D, GRDDED3\n LERROR = .TRUE.\n END IF\n\n IF ( GDTYP3D .NE. GDTYP_GD ) THEN\n WRITE( LOGUNIT, 94200 ) GDTYP3D, GDTYP_GD\n LERROR = .TRUE.\n END IF\n\n IF ( NCOLS3D .NE. NCOLS ) THEN\n WRITE( LOGUNIT, 94040 ) NCOLS3D, NCOLS\n LERROR = .TRUE.\n END IF\n\n IF ( NROWS3D .NE. NROWS ) THEN\n WRITE( LOGUNIT, 94060 ) NROWS3D, NROWS\n LERROR = .TRUE.\n END IF\n\n IF ( NLAYS3D .NE. NLAYS ) THEN\n WRITE( LOGUNIT, 94080 ) NLAYS3D, NLAYS\n LERROR = .TRUE.\n END IF\n\n WRITE( VAL1, 94000 ) P_ALP3D\n WRITE( VAL2, 94000 ) P_ALP_GD\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94220 ) P_ALP3D, P_ALP_GD\n LERROR = .TRUE.\n END IF\n\n WRITE( VAL1, 94000 ) P_BET3D\n WRITE( VAL2, 94000 ) P_BET_GD\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94240 ) P_BET3D, P_BET_GD\n LERROR = .TRUE.\n END IF\n\n WRITE( VAL1, 94000 ) P_GAM3D\n WRITE( VAL2, 94000 ) P_GAM_GD\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94260 ) P_GAM3D, P_GAM_GD\n LERROR = .TRUE.\n END IF\n\n WRITE( VAL1, 94000 ) XORIG3D\n WRITE( VAL2, 94000 ) XORIG_GD\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94280 ) XORIG3D, XORIG_GD\n LERROR = .TRUE.\n END IF\n\n WRITE( VAL1, 94000 ) YORIG3D\n WRITE( VAL2, 94000 ) YORIG_GD\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94300 ) YORIG3D, YORIG_GD\n LERROR = .TRUE.\n END IF\n\n WRITE( VAL1, 94000 ) XCELL3D\n WRITE( VAL2, 94000 ) XCELL_GD\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94320 ) XCELL3D, XCELL_GD\n LERROR = .TRUE.\n END IF\n\n WRITE( VAL1, 94000 ) YCELL3D\n WRITE( VAL2, 94000 ) YCELL_GD\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94340 ) YCELL3D, YCELL_GD\n LERROR = .TRUE.\n END IF\n\n WRITE( VAL1, 94000 ) XCENT3D\n WRITE( VAL2, 94000 ) XCENT_GD\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94360 ) XCENT3D, XCENT_GD\n LERROR = .TRUE.\n END IF\n\n WRITE( VAL1, 94000 ) YCENT3D\n WRITE( VAL2, 94000 ) YCENT_GD\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94380 ) YCENT3D, YCENT_GD\n LERROR = .TRUE.\n END IF\n \n WRITE( VAL1, 94000 ) VGTOP3D\n WRITE( VAL2, 94000 ) VGTOP_GD\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94420 ) VGTOP3D, VGTOP_GD\n LERROR = .TRUE.\n END IF\n\n DO L = 1 , NLAYS3D + 1\n WRITE( VAL1, 94000 ) VGLVS3D( L )\n WRITE( VAL2, 94000 ) VGLVS_GD( L )\n IF ( VAL1 .NE. VAL2 ) THEN\n WRITE( LOGUNIT, 94440 ) L, VGLVS3D( L ), L,\n & VGLVS_GD( L ) \n LERROR = .TRUE.\n END IF\n END DO\n \n! IF ( .NOT. CHECK3( MET_CRO_3D_FIN, ALLVAR3, SDATE, STIME ) ) THEN\n! MSG = 'Requested time is not on the ' // MET_CRO_3D_FIN\n! & // ' file'\n! WRITE( LOGUNIT, 94480 ) MSG\n! LERROR = .TRUE.\n! END IF\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc If inconsistency found, then stop, else return\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( .NOT. LERROR ) THEN\n WRITE( LOGUNIT, 94460 )\n ELSE\n MSG = 'MET_CRO_3D_FIN file inconsistent: stopping' \n CALL M3EXIT ( PNAME, SDATE , STIME, MSG, XSTAT2 )\n END IF\n \n RETURN\n\nC************************* FORMAT STATEMENTS ***************************\n\n94000 FORMAT( E15.5 )\n94020 FORMAT( 10X, 'MET_CRO_3D_FIN FTYPE = ', I3, ' COORD FTYPE', ' = ', I3 )\n94040 FORMAT( 10X, 'MET_CRO_3D_FIN NCOLS = ', I3, ' COORD NCOLS', ' = ', I3 )\n94060 FORMAT( 10X, 'MET_CRO_3D_FIN NROWS = ', I3, ' COORD NROWS', ' = ', I3 )\n94080 FORMAT( 10X, 'MET_CRO_3D_FIN NLAYS = ', I3, ' COORD NLAYS', ' = ', I3 )\n94200 FORMAT( 10X, 'MET_CRO_3D_FIN GDTYP = ', I3, ' COORD GDTYP', ' = ', I3 )\n94220 FORMAT( 10X, 'MET_CRO_3D_FIN P_ALP = ', 1PE12.5, ' COORD P_ALP', ' = ', 1PE12.5 )\n94240 FORMAT( 10X, 'MET_CRO_3D_FIN P_BET = ', 1PE12.5, ' COORD P_BET', ' = ', 1PE12.5 )\n94260 FORMAT( 10X, 'MET_CRO_3D_FIN P_GAM = ', 1PE12.5, ' COORD P_GAM', ' = ', 1PE12.5 )\n94280 FORMAT( 10X, 'MET_CRO_3D_FIN XORIG = ', 1PE12.5, ' COORD XORIG', ' = ', 1PE12.5 )\n94300 FORMAT( 10X, 'MET_CRO_3D_FIN YORIG = ', 1PE12.5, ' COORD YORIG', ' = ', 1PE12.5 )\n94320 FORMAT( 10X, 'MET_CRO_3D_FIN XCELL = ', 1PE12.5, ' COORD XCELL', ' = ', 1PE12.5 )\n94340 FORMAT( 10X, 'MET_CRO_3D_FIN YCELL = ', 1PE12.5, ' COORD YCELL', ' = ', 1PE12.5 )\n94360 FORMAT( 10X, 'MET_CRO_3D_FIN XCENT = ', 1PE12.5, ' COORD XCENT', ' = ', 1PE12.5 )\n94380 FORMAT( 10X, 'MET_CRO_3D_FIN YCENT = ', 1PE12.5, ' COORD YCENT', ' = ', 1PE12.5 )\n94420 FORMAT( 10X, 'MET_CRO_3D_FIN VGTOP = ', 1PE12.5, ' COORD VGTOP', ' = ', 1PE12.5 )\n94440 FORMAT( 10X, 'MET_CRO_3D_FIN VGLVS(', I2, ' ) = ', 1PE12.5, ' COORD VGLVS',\n & '(', I2, ' ) = ', 1PE12.5 )\n\n94460 FORMAT( 10X, 'NONE' )\n94480 FORMAT( A )\n\n END\n" }, { "path": "PREP/icon/src/m3conc/m3_driver.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/ICON/src/m3conc/m3_driver.F,v 1.2 2011/10/21 16:41:54 yoj Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\n\n SUBROUTINE M3_INIC ( LOGUNIT )\n\nC***********************************************************************\n \nC Function: Opens the Models-3 CTM conc file(s) and checks for \nC data consistency, and calls the routine to \nC compute the ICs and write the output IC file \n \nC Preconditions: None\nC \nC Key Subroutines/Functions Called: CK_CTM_FLS\nC GC_SPC_MAP\nC NGC_SPC_MAP\nC LST_SPC_MAP\nC ICOUT \n \nC Revision History: Prototype created by Jerry Gipson, January, 1998 \nC 12/12/00 David Wong, LM\nC -- initialized N_PING_FLS = 0\nC 01/24/02 Steve Howard (Jeff Young) - dynamic allocation\nC 12/13/04 J.Young: vert dyn alloc - Use VGRD_DEFN\nC 06 Jun 11 J.Young: Replaced I/O API include files with UTILIO_DEFN\nC 07 Jun 11 J.Young: Removed RADM2<->CB4 mechanism conversion feature\nC 13 Jul 11 J.Young: Convert for Namelist redesign + UTILIO_DEFN\nC 21 May 12 J.Young: Replaced IC_PARMS include file with an F90 module\nC 02 Nov 18 S.Roselle: Removed species mapping\nC 06 Nov 18 S.Roselle: Replaced UTILIO_DEFN with M3UTILIO\nC 10 June 19 F. Sidi : Corrected data type mismatch between IOAPI and ICON\nC 20 April 21 C. Hogrefe: Force height or pressure interpolation if either \nC grid uses hybrid vertical coordinates. This\nC requires checking for MET_CRO_3D_CRS and \nC MET_CRO_3D_FIN \n\nC***********************************************************************\n\n USE HGRD_DEFN ! Module to store and load the horizontal grid variables\n USE VGRD_DEFN ! vertical layer specifications\n USE M3UTILIO ! IOAPI module\n USE IC_PARMS ! ICON parameters\n\n IMPLICIT NONE \n\nC Include Files:\n\nC Arguments:\n INTEGER, INTENT( IN ) :: LOGUNIT ! Unit number for output log\n\nC Parameters: None\n\nC External Functions: None\n\nC Local Variables:\n CHARACTER( 16 ) :: ENV_DFLT ! Environment variable default value\n CHARACTER( 80 ) :: ENV_DESC ! Environment variable description\n CHARACTER( 16 ) :: FL_NAME ! Input CTM file name\n CHARACTER( 256 ) :: MSG ! Log message\n CHARACTER( 16 ) :: PNAME = 'M3_INIC' ! Program name\n CHARACTER( 256 ) :: RET_VAL ! Returned value of environment variable\n\n CHARACTER( 16 ), ALLOCATABLE :: CTM_FL_NAME( : ) ! Name(s) of CTM file(s)\n CHARACTER( 16 ), ALLOCATABLE :: INFL_SP_NAME( : ) ! Names of CTM species\n CHARACTER( 16 ), ALLOCATABLE :: UNITS_IN( : ) ! Units for CTM species\n CHARACTER( 80 ), ALLOCATABLE :: VDESC_IN( : ) ! Variable description for CTM species\n\n INTEGER, ALLOCATABLE :: VTYPE_IN( : ) ! variable type for CTM species\n\n INTEGER :: SDATE = 0 ! Date for IC output \n INTEGER :: STIME = 0 ! Time for IC output\n INTEGER :: N ! File loop index\n INTEGER :: N_CTM_FLS ! Number of input CTM files\n INTEGER :: NCOLS_IN ! No. of columns in input conc file\n INTEGER :: NROWS_IN ! No. of rows in input conc file\n INTEGER :: NLAYS_IN ! No. of layers in input conc file\n INTEGER :: NSPCS_IN ! CTM files species counter\n INTEGER :: VGTYP_IN ! input conc file VGTYP\n INTEGER :: SDATE_IN ! input conc file start date\n INTEGER :: STIME_IN ! input conc file start time\n INTEGER :: EDATE_IN ! input conc file end date\n INTEGER :: ETIME_IN ! input conc file end time\n INTEGER :: TSTEP_IN ! input conc file timestep\n INTEGER :: NSTEPS_IN ! Number time steps in input conc file\n INTEGER :: SECS_STRT ! time variable (sec)\n INTEGER :: SECS_END ! time variable (sec)\n INTEGER :: STATUS ! Status code\n INTEGER :: ALLOCSTAT ! Status returned from array allocation\n INTEGER :: V ! Variable loop index\n\n REAL :: VGTOP_IN ! input conc file VGTOP\n\n INTERFACE\n\n SUBROUTINE CK_CTM_FLS ( LOGUNIT, N_CTM_FLS, CTM_FL_NAME )\n INTEGER, INTENT( IN ) :: LOGUNIT\n INTEGER, INTENT( IN ) :: N_CTM_FLS\n CHARACTER( 16 ), INTENT( IN ) :: CTM_FL_NAME( : )\n END SUBROUTINE CK_CTM_FLS\n\n SUBROUTINE CK_CTMMET_FL ( LOGUNIT, SDATE, STIME, CTM_FL_NAME )\n CHARACTER( 16 ), INTENT( IN ) :: CTM_FL_NAME( : )\n INTEGER, INTENT( IN ) :: LOGUNIT\n INTEGER, INTENT( IN ) :: SDATE\n INTEGER, INTENT( IN ) :: STIME\n END SUBROUTINE CK_CTMMET_FL\n\n SUBROUTINE CK_ICMET_FL ( LOGUNIT, SDATE, STIME )\n INTEGER, INTENT( IN ) :: LOGUNIT\n INTEGER, INTENT( IN ) :: SDATE\n INTEGER, INTENT( IN ) :: STIME\n END SUBROUTINE CK_ICMET_FL\n\n SUBROUTINE M3_ICOUT ( LOGUNIT, N_CTM_FLS, SDATE, STIME,\n & NCOLS_IN, NROWS_IN, NLAYS_IN, NSPCS_IN,\n & CTM_FL_NAME, INFL_SP_NAME,\n & VTYPE_IN, UNITS_IN, VDESC_IN )\n INTEGER, INTENT( IN ) :: LOGUNIT\n INTEGER, INTENT( IN ) :: N_CTM_FLS\n INTEGER, INTENT( IN ) :: SDATE\n INTEGER, INTENT( IN ) :: STIME\n INTEGER, INTENT( IN ) :: NCOLS_IN\n INTEGER, INTENT( IN ) :: NROWS_IN\n INTEGER, INTENT( IN ) :: NLAYS_IN\n INTEGER, INTENT( IN ) :: NSPCS_IN\n CHARACTER( 16 ), INTENT( IN ) :: CTM_FL_NAME( : )\n CHARACTER( 16 ), INTENT( IN ) :: INFL_SP_NAME( : )\n CHARACTER( 16 ), INTENT( IN ) :: UNITS_IN( : )\n CHARACTER( 80 ), INTENT( IN ) :: VDESC_IN( : )\n INTEGER, INTENT( IN ) :: VTYPE_IN( : )\n END SUBROUTINE M3_ICOUT\n\n END INTERFACE\n\nC***********************************************************************\n\n WRITE( LOGUNIT, 92000 )\n\n SDATE = ENVINT( 'SDATE', 'START DATE', 0, STATUS )\n IF ( STATUS .NE. 0 ) SDATE = 0\n\n STIME = ENVINT( 'STIME', 'START TIME', 0, STATUS )\n IF ( STATUS .NE. 0 ) STIME = 0\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Determine the number of input CTM conc files that need to be read\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n ALLOCATE( CTM_FL_NAME( MXCTMS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n MSG = 'Failure allocating CTM_FL_NAME'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n N_CTM_FLS = 0\n\n WRITE( LOGUNIT, 92020 )\n\n DO N = 1, MXCTMS\n\n WRITE( FL_NAME, '( ''CTM_CONC_'', I1 )' ) N\n WRITE( ENV_DESC, '( ''CTM Concentration file no. '', I1 )' ) N \n ENV_DFLT = ' ' \n CALL ENVSTR ( FL_NAME, ENV_DESC, ENV_DFLT, RET_VAL, STATUS )\n\n IF ( STATUS .EQ. 0 ) THEN\n N_CTM_FLS = N_CTM_FLS + 1\n CTM_FL_NAME( N_CTM_FLS ) = FL_NAME\n END IF\n \n END DO\n\n IF ( N_CTM_FLS .EQ. 0 ) THEN\n MSG = 'No CTM CONC files found'\n CALL M3EXIT ( PNAME, SDATE, STIME, MSG, XSTAT2 )\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Open the input Models-3 CTM concentration file(s) and check that the\nc required time step is available on each file; save the species \nc names on each file in one contiguous array\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n ALLOCATE( INFL_SP_NAME( N_CTM_FLS*MXVARS3 ),\n & UNITS_IN( N_CTM_FLS*MXVARS3 ),\n & VDESC_IN( N_CTM_FLS*MXVARS3 ),\n & VTYPE_IN( N_CTM_FLS*MXVARS3 ),\n & STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n MSG = 'Failure allocating UNITS_IN, VDESC_IN, VTYPE_IN'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n NSPCS_IN = 0\n\n DO N = 1, N_CTM_FLS\n\n IF ( .NOT. OPEN3( CTM_FL_NAME( N ), FSREAD3, PNAME ) ) THEN\n MSG = 'Could not open ' // CTM_FL_NAME( N ) // ' file'\n CALL M3EXIT ( PNAME, SDATE, STIME, MSG, XSTAT2 )\n END IF\n\n IF ( .NOT. DESC3( CTM_FL_NAME( N ) ) ) THEN\n MSG = 'Could not read DESC of ' // CTM_FL_NAME( N ) // ' file'\n CALL M3EXIT ( PNAME, SDATE, STIME, MSG, XSTAT2 )\n END IF\n\n NCOLS_IN = NCOLS3D\n NROWS_IN = NROWS3D\n NLAYS_IN = NLAYS3D\n VGTYP_IN = VGTYP3D\n VGTOP_IN = VGTOP3D\n SDATE_IN = SDATE3D\n STIME_IN = STIME3D\n TSTEP_IN = TSTEP3D\n NSTEPS_IN = MXREC3D\n\n DO V = 1, NVARS3D\n NSPCS_IN = NSPCS_IN + 1\n INFL_SP_NAME( NSPCS_IN ) = VNAME3D( V )\n VTYPE_IN( NSPCS_IN ) = VTYPE3D( V )\n UNITS_IN( NSPCS_IN ) = UNITS3D( V )\n VDESC_IN( NSPCS_IN ) = VDESC3D( V )\n END DO\n\n END DO\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Check multiple input CTM files for consistency & set input domain\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( N_CTM_FLS .GT. 1 ) CALL CK_CTM_FLS ( LOGUNIT, N_CTM_FLS,\n & CTM_FL_NAME )\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Check MET_CRO_3D_CRS (for input CCTM file) and MET_CRO_3D_FIN (for\nc output IC file) if vertical grid types are different or use\nc hybrid coordinates\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( VGTYP_GD .NE. VGTYP_IN .OR. VGTOP_GD .NE. VGTOP_IN .OR.\n & VGTYP_GD .EQ. -9999 .OR. VGTYP_IN .EQ. -9999 ) THEN \n CALL CK_CTMMET_FL ( LOGUNIT, SDATE, STIME, CTM_FL_NAME )\n CALL CK_ICMET_FL ( LOGUNIT, SDATE, STIME )\n END IF\n\n IF ( .NOT. DESC3( MET_CRO_3D_FIN ) ) THEN\n MSG = 'Could not read DESC of ' // MET_CRO_3D_FIN // ' file'\n CALL M3EXIT ( PNAME, SDATE, STIME, MSG, XSTAT2 )\n END IF\n\nC if user did not specify SDATE, inherit SDATE from MET_CRO_3D_FIN\n IF ( SDATE .EQ. 0 ) THEN\n MSG = 'Input SDATE equals zero; SDATE ' //\n & 'reset to MET_CRO_3D_FIN file start date: ' // MMDDYY( SDATE3D )\n CALL M3MESG ( MSG )\n SDATE = SDATE3D\n END IF\n\nC if user did not specify STIME, inherit STIME from MET_CRO_3D_FIN\n IF ( STIME .EQ. 0 ) THEN\n MSG = 'Input STIME equals zero; STIME ' //\n & 'reset to MET_CRO_3D_FIN file start time: ' // HHMMSS( STIME3D )\n CALL M3MESG ( MSG )\n STIME = STIME3D\n END IF\n\nC for time-dependent concentration file\n IF ( TSTEP_IN .GT. 0 ) THEN\n\nC calculate end date and time for concentration file\n EDATE_IN = SDATE_IN\n ETIME_IN = STIME_IN\n CALL NEXTIME ( EDATE_IN, ETIME_IN,\n & SEC2TIME( ( NSTEPS_IN - 1 ) * TIME2SEC( TSTEP_IN ) ) )\n\nC see if sdate and stime are availabe on concentration file\n SECS_STRT = SECSDIFF( SDATE_IN, STIME_IN, SDATE, STIME )\n SECS_END = SECSDIFF( EDATE_IN, ETIME_IN, SDATE, STIME )\n IF ( ( SECS_STRT .LT. 0 ) .OR. ( SECS_END .GT. 0 ) ) THEN\n MSG = 'Requested starting time is not in the ' //\n & CTM_FL_NAME( 1 ) // ' file'\n CALL M3EXIT ( PNAME, SDATE, STIME, MSG, XSTAT2 )\n END IF\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Compute and output ICs from the input CTM conc file(s)\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n CALL M3_ICOUT ( LOGUNIT,\n & N_CTM_FLS,\n & SDATE, STIME,\n & NCOLS_IN, NROWS_IN, NLAYS_IN, NSPCS_IN,\n & CTM_FL_NAME,\n & INFL_SP_NAME, VTYPE_IN, UNITS_IN, VDESC_IN )\n\n RETURN\n\nC************************* FORMAT Statements ***************************\n\n92000 FORMAT( // 1X, 79( '#' ) \n & / 1X, '# Input file section '\n & / 1X, 79( '#' )\n & // 5X, 'Initial Concentrations from a CMAQ CTM ',\n & 'concentration file.' )\n\n92020 FORMAT( // 5X, 'Input CMAQ CTM file names: ' )\n\n END\n" }, { "path": "PREP/icon/src/m3conc/m3_icout.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/ICON/src/m3conc/m3_icout.F,v 1.2 2011/10/21 16:41:54 yoj Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\n SUBROUTINE M3_ICOUT( LOGUNIT,\n & N_CTM_FLS,\n & SDATE, STIME,\n & NCOLS_IN, NROWS_IN, NLAYS_IN, NSPCS_IN,\n & CTM_FL_NAME, INFL_SP_NAME,\n & VTYPE_IN, UNITS_IN, VDESC_IN )\n\nC***********************************************************************\n \nC Function: Reads the input CMAQ concentration file(s) and opens and\nC writes the output IC file\n\nC Preconditions: None\n \nC Key Subroutines/Functions Called: \n \nC Revision History: Prototype created by Jerry Gipson, January, 1998\n \nC 02/09/00 David Wong, LM\nC -- block all HPALLOC or HPDALLOC calls by using a CPP\nC flag F90 when the code is running on T3E\nC -- renamed two original arguments NROWS_IN and NCOLS_IN\nC to GL_NROWS_IN and GL_NCOLS_IN, respectively\nC -- declared my_nrows_in, my_ncols_in, nrows_in, and\nC ncols_in\nC -- used MY_NROWS and MY_NCOLS in loops\nC -- developed a new algorithm to perform the mapping\nC -- introduced calls to new routines to aid \nC parallelization of this routine\n \nC 02/05/00 David Wong, LM\nC -- added two more arguments GL_NCOLS_IN, GL_ROWS_IN when \nC m3_ping is called\n \nC 01/24/02 Steve Howard (Jeff Young) - dynamic allocation\n \nC 02/20/02 David Wong, LM\nC -- modified the alogrithm to determine the row/column\nC position of fine grid relative to the coarse grid by\nC considering the case the fine and coarse grids have\nC the same resolution, i.e. TEMP1 = 0.0\nC -- used XTRACT3 to input data. With this new change, \nC variables STRTROW, ENDROW, STRTCOL, and ENDCOL are\nC computed from ROWSX_PE and COLSX_PE, respectively.\n \nC 04/10/02 David Wong, LM\nC -- XTRACT3, which is used to read in data for a PE, does\nC not allow any empty space in data structure. The data\nC declaration for the allocatable array CONCIN requires\nC MY_NCOLS_IN and MY_NROWS_IN for dimensioning.\nC -- Arguments NCOLS_IN and NROWS_IN are replaced by \nC MY_NCOLS_IN and MY_NROWS_IN in calling subroutines\nC SHIFT_MAP, M3_PING, and VINTERP, so array dimensions \nC of CONCIN are correct inside those routines.\n \nC 02/06/09 David Wong\nC -- declared CONCVI as an allocatable array to avoid stacksize\nC limit problem in some machine setup\nC -- applied deallocate statement to arrays CONCVI and CONCIN\n\nC Description of the new algorithm:\n \nC The new algorithm involves the following steps:\n \nC -- compute the lat and lon of the (1,1) cell of the fine domain, \nC lat_out_1 and lon_out_1, respectively\nC -- compute the lat and lon of the (1,1) cell of the coarse domain,\nC lat_in_1 and lon_in_1, respectively\nC -- locate the column and row position of the fine domain (1,1) cell with \nC respect to the coarse domain by using an iterative method\nC -- locate the column and row position of the fine domain (1,1) cell \nC within the coarse grid cell found from above step in terms of fine \nC grid scale. The following is an illustration; let the resolution of\nC the fine grid be 5 in the x and y directions, c denotes the center of\nC the coarse grid cell which coincides with the (1,1) cell of the fine\nC domain, x denotes the (1,1) cell`s position where the step is going to\nC determine.\n \nC * * * * *\nC * * * * *\nC * x c * *\nC * * * * *\nC * * * * *\n \nC In this example COL_DISP = 3 and ROW_DISP = 2\n \nC -- call mapping_init to determine the starting position of the fine\nC domain in each processor\nC -- perform the remapping in each processor\n \nC 12/13/04 J.Young: vert dyn alloc - Use VGRD_DEFN\nC eliminate malloc calls\nC 06 Jun 11 J.Young: Replaced I/O API include files with UTILIO_DEFN\n \nC 05 Jul 11 David Wong: added PRE_COL_LOC and PRE_ROW_LOC to hold\nC before normalized value of COL_LOC and ROW_LOC,\nC respectively\n\nC 21 May 12 J.Young: Replaced IC_PARMS include file with an F90 module\nC 02 Nov 18 S.Roselle: Removed species mapping\nC 06 Nov 18 S.Roselle: Removed parallel processing code;\nC Replaced UTILIO_DEFN with M3UTILIO\nC 11 June 19 F. Sidi : Resolved Memory Issue by changing loop structure to loop\nC over spcies instead of saving species\n\nC***********************************************************************\n\n USE HGRD_DEFN ! Module to store and load the horizontal grid variables\n USE VGRD_DEFN ! vertical layer specifications\n USE M3UTILIO ! IOAPI module\n USE IC_PARMS ! ICON parameters\n\n IMPLICIT NONE \n\nC Arguments:\n INTEGER, INTENT( IN ) :: LOGUNIT ! Unit number for output log\n INTEGER, INTENT( IN ) :: N_CTM_FLS ! Number of input CTM files\n INTEGER, INTENT( IN ) :: SDATE ! Date for IC Output\n INTEGER, INTENT( IN ) :: STIME ! Time for IC output\n INTEGER, INTENT( IN ) :: NCOLS_IN ! No. of columns in input conc file\n INTEGER, INTENT( IN ) :: NROWS_IN ! No. of rows in input conc file\n INTEGER, INTENT( IN ) :: NLAYS_IN ! No. of layers in input conc file\n INTEGER, INTENT( IN ) :: NSPCS_IN ! Total No. of species in input conc file(s)\n CHARACTER( 16 ), INTENT( IN ) :: CTM_FL_NAME( : ) ! Name of CTM file\n CHARACTER( 16 ), INTENT( IN ) :: INFL_SP_NAME( : ) ! Name of input CTM species\n CHARACTER( 16 ), INTENT( IN ) :: UNITS_IN( : ) ! Units for CTM species\n CHARACTER( 80 ), INTENT( IN ) :: VDESC_IN( : ) ! Variable description for CTM species\n\n INTEGER, INTENT( IN ) :: VTYPE_IN( : ) ! variable type for CTM species\n\nC Parameters:\n REAL, PARAMETER :: CMIN = 1.0E-30 ! Minimum output concentration\n\nC External Functions: None\n \nC Local Variables:\n CHARACTER( 16 ) :: PNAME = 'M3_ICOUT' ! Program Name\n CHARACTER( 80 ) :: MSG ! Log message\n CHARACTER( 16 ) :: VNAME ! Species name on CTM conc file\n CHARACTER( 16 ), ALLOCATABLE :: IC_FNAME( : ) ! Logical names of IC Output file(s)\n\n INTEGER C, CIN, CIC ! Column loop indices\n INTEGER FLN ! IC output file number\n INTEGER ISP ! Array indices for species\n INTEGER L ! Layer loop index\n INTEGER N ! Loop indices for species\n INTEGER R, RIN, RIC ! Row loop indices\n INTEGER TSTEP ! Timestep for IC Output (time dependent)\n INTEGER ALLOCSTAT ! Status returned from array allocation\n\n INTEGER, ALLOCATABLE :: COL_LOC( :,: ) ! Output IC col corresponding to\n ! a cell in the input CTM file\n INTEGER, ALLOCATABLE :: ROW_LOC( :,: ) ! Output IC row corresponding to\n ! a cell in the input CTM file\n\n LOGICAL LNEG ! Flag for negative concentrations\n\n REAL DMIN ! Smallest distance between cell centers\n REAL LAT ! Latitude of center of cell for the IC output file\n REAL LON ! Longitude of center of cell for the IC output file\n REAL X1 ! longitudenal distance between cell centers\n REAL Y1 ! latitudinal distance between cell centers\n\n REAL, ALLOCATABLE :: LAT_OUT( :,: ) ! Lat of cells in BC output file\n REAL, ALLOCATABLE :: LON_OUT( :,: ) ! Lon of cells in BC output file\n\n REAL, ALLOCATABLE :: LAT_IN( :,: ) ! Lat of cells in CTM conc file\n REAL, ALLOCATABLE :: LON_IN( :,: ) ! Lon of cells in CTM conc file\n\n REAL, ALLOCATABLE :: COUT( :,:,: ) ! Substituted output IC conc\n REAL, ALLOCATABLE :: CONCIN( :,:,: ) ! Input concs\n REAL, ALLOCATABLE :: ICIN( :,:,: ) ! Horizontally set ICs\n REAL, ALLOCATABLE :: ICVI( :,:,: ) ! Vertically interpolated ICs\n\n INTERFACE\n\n SUBROUTINE LAT_LON ( COL, ROW, GDTYP, XORIG, YORIG, XCELL, YCELL,\n & XCENT, YCENT, P_ALP, P_BET, P_GAM, LAT, LON )\n INTEGER, INTENT( IN ) :: GDTYP\n INTEGER, INTENT( IN ) :: COL\n INTEGER, INTENT( IN ) :: ROW\n REAL( 8 ), INTENT( IN ) :: P_ALP\n REAL( 8 ), INTENT( IN ) :: P_BET\n REAL( 8 ), INTENT( IN ) :: P_GAM\n REAL( 8 ), INTENT( IN ) :: XCELL\n REAL( 8 ), INTENT( IN ) :: XCENT\n REAL( 8 ), INTENT( IN ) :: XORIG\n REAL( 8 ), INTENT( IN ) :: YCELL\n REAL( 8 ), INTENT( IN ) :: YCENT\n REAL( 8 ), INTENT( IN ) :: YORIG\n REAL, INTENT( OUT ) :: LAT\n REAL, INTENT( OUT ) :: LON\n END SUBROUTINE LAT_LON\n\n SUBROUTINE OPN_IC_FILE ( LOGUNIT, SDATE, STIME, TSTEP, NSPCS_OUT,\n & SPNAME_OUT, VTYPE_OUT, UNITS_OUT,\n & VDESC_OUT, IC_FNAME, RINDX )\n CHARACTER( 16 ), INTENT( OUT ) :: IC_FNAME( : )\n CHARACTER( 16 ), INTENT( IN ) :: SPNAME_OUT( : )\n CHARACTER( 16 ), INTENT( IN ) :: UNITS_OUT( : )\n CHARACTER( 80 ), INTENT( IN ) :: VDESC_OUT( : )\n INTEGER, INTENT( IN ) :: LOGUNIT\n INTEGER, INTENT( IN ) :: NSPCS_OUT\n INTEGER, INTENT( IN ) :: RINDX\n INTEGER, INTENT( IN ) :: SDATE\n INTEGER, INTENT( IN ) :: STIME\n INTEGER, INTENT( IN ) :: TSTEP\n INTEGER, INTENT( IN ) :: VTYPE_OUT( : )\n END SUBROUTINE OPN_IC_FILE\n\n SUBROUTINE M3_VINTERP ( LOGUNIT, SDATE, STIME,\n & NCOLS_IN, NROWS_IN, NLAYS_IN, NSPCS_IN,\n & COL_LOC, ROW_LOC,\n & ICIN, ICVI, CTM_FL_NAME )\n INTEGER, INTENT( IN ) :: LOGUNIT\n INTEGER, INTENT( IN ) :: SDATE\n INTEGER, INTENT( IN ) :: STIME\n INTEGER, INTENT( IN ) :: NCOLS_IN\n INTEGER, INTENT( IN ) :: NROWS_IN\n INTEGER, INTENT( IN ) :: NLAYS_IN\n INTEGER, INTENT( IN ) :: NSPCS_IN\n INTEGER, INTENT( IN ) :: COL_LOC( :,: )\n INTEGER, INTENT( IN ) :: ROW_LOC( :,: )\n REAL, INTENT( IN ) :: ICIN( :,:,:)\n REAL, INTENT( OUT ) :: ICVI( :,:,:)\n CHARACTER( 16 ), INTENT( IN ) :: CTM_FL_NAME( : )\n END SUBROUTINE M3_VINTERP\n\n END INTERFACE\n\nC***********************************************************************\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc allocate arrays\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n ALLOCATE( IC_FNAME( MXCTMS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n MSG = 'Failure allocating IC_FNAME'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n ALLOCATE( COL_LOC( NCOLS,NROWS ), ROW_LOC( NCOLS,NROWS ),\n & STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n MSG = 'Failure allocating COL_LOC, ROW_LOC'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n ALLOCATE( LAT_OUT( NCOLS,NROWS ), LON_OUT( NCOLS,NROWS ),\n & STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n MSG = 'Failure allocating LAT_OUT, LON_OUT'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n ALLOCATE( LAT_IN( NCOLS_IN,NROWS_IN ), LON_IN( NCOLS_IN,NROWS_IN ),\n & STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n MSG = 'Failure allocating LAT_IN, LON_IN'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n ALLOCATE( COUT( NCOLS,NROWS,NLAYS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n MSG = 'Failure allocating COUT'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n ALLOCATE( CONCIN( NCOLS_IN,NROWS_IN,NLAYS_IN ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n MSG = 'Failure allocating CONCIN'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n ALLOCATE( ICIN( NCOLS,NROWS,NLAYS_IN ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n MSG = 'Failure allocating ICIN'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n ALLOCATE( ICVI( NCOLS,NROWS,NLAYS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n MSG = 'Failure allocating ICVI'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n write( logunit,* ) ' '\n write( logunit,* ) ' NCOLS_IN: ', NCOLS_IN\n write( logunit,* ) ' NROWS_IN: ', NROWS_IN\n write( logunit,* ) ' NLAYS_IN: ', NLAYS_IN\n write( logunit,* ) ' NSPCS_IN: ', NSPCS_IN\n write( logunit,* ) ' NLAYS: ', NLAYS\n write( logunit,* ) ' '\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Compute the lat and lon of the center of each input cell\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( .NOT. DESC3( CTM_FL_NAME( 1 ) ) ) THEN\n MSG = 'Could not read DESC of ' // CTM_FL_NAME( 1 )\n & // ' file'\n CALL M3EXIT ( PNAME, SDATE, STIME, MSG, XSTAT2 )\n END IF\n\n DO C = 1, NCOLS_IN\n DO R = 1, NROWS_IN\n CALL LAT_LON ( C, R, GDTYP3D, XORIG3D, YORIG3D,\n & XCELL3D, YCELL3D, XCENT3D, YCENT3D,\n & P_ALP3D, P_BET3D, P_GAM3D,\n & LAT_IN( C,R ), LON_IN( C,R ) )\n END DO\n END DO\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Compute the lat and lon of the center of the fine domain (1,1) cell\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n DO C = 1, NCOLS\n DO R = 1, NROWS\n CALL LAT_LON ( C, R, GDTYP_GD, XORIG_GD, YORIG_GD,\n & XCELL_GD, YCELL_GD, XCENT_GD, YCENT_GD,\n & P_ALP_GD, P_BET_GD, P_GAM_GD,\n & LAT_OUT( C,R ), LON_OUT( C,R ) )\n END DO\n END DO\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Map the CTM file LAT/LONs to the IC file LAT/LONs\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n DO CIC = 1, NCOLS\n DO RIC = 1, NROWS\n LAT = LAT_OUT( CIC,RIC )\n LON = LON_OUT( CIC,RIC )\n DMIN = 1.0E+30\n DO CIN = 1, NCOLS_IN\n DO RIN = 1, NROWS_IN\n Y1 = ( LAT - LAT_IN( CIN,RIN ) ) ** 2\n X1 = ( LON - LON_IN( CIN,RIN ) ) ** 2\n IF ( ( X1 + Y1 ) .LT. DMIN ) THEN \n DMIN = X1 + Y1\n COL_LOC( CIC,RIC ) = CIN\n ROW_LOC( CIC,RIC ) = RIN\n END IF\n END DO\n END DO\n END DO\n END DO\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Call the routine to open the Models3 IC output file\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( .NOT. DESC3( CTM_FL_NAME( 1 ) ) ) THEN\n MSG = 'Could not read DESC of ' // CTM_FL_NAME( 1 ) // ' file'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n\nC...if the input conc file in time independent, then make the IC file\nC... time independent as well\n\n IF ( TSTEP3D .EQ. 0 ) THEN\n TSTEP = 0\n\nC...if the input conc file is time dependent, then set the timestep to be same\nC... as the target domain's met input file\n\n ELSE\n IF ( .NOT. DESC3( MET_CRO_3D_FIN ) ) THEN\n MSG = 'Could not read DESC of ' // MET_CRO_3D_FIN // ' file'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n\n TSTEP = TSTEP3D\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Open the IC output file\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n CALL OPN_IC_FILE ( LOGUNIT, SDATE, STIME, TSTEP, NSPCS_IN,\n & INFL_SP_NAME, VTYPE_IN, UNITS_IN, VDESC_IN,\n & IC_FNAME, 1 )\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC Read the concentration file(s)\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n LNEG = .FALSE.\n ISP = 0\n\n DO N = 1, N_CTM_FLS\n\n IF ( .NOT. DESC3( CTM_FL_NAME( N ) ) ) THEN\n MSG = 'Could not read DESC of ' // CTM_FL_NAME( N ) \n & // ' file'\n CALL M3EXIT ( PNAME, SDATE, STIME, MSG, XSTAT2 )\n END IF\n\n DO ISP = 1, NSPCS_IN\n\n VNAME = INFL_SP_NAME( ISP )\n\n IF ( MXREC3D .EQ. 1 ) THEN\n IF ( .NOT. READ3( CTM_FL_NAME( N ), VNAME, ALLAYS3, SDATE,\n & STIME, CONCIN( 1,1,1 ) ) ) THEN\n MSG = 'Could not read input CTM Conc file ' //\n & CTM_FL_NAME( N )\n CALL M3EXIT( PNAME, SDATE, STIME, MSG, XSTAT2 )\n END IF\n ELSE\n IF ( .NOT. INTERP3( CTM_FL_NAME( N ), VNAME, PNAME, SDATE, STIME,\n & NCOLS_IN*NROWS_IN*NLAYS_IN, CONCIN ) ) THEN\n MSG = 'Could not read input CTM Conc file ' //\n & CTM_FL_NAME( N )\n CALL M3EXIT ( PNAME, SDATE, STIME, MSG, XSTAT2 )\n END IF\n END IF\n\n DO CIC = 1, NCOLS\n DO RIC = 1, NROWS\n CIN = COL_LOC( CIC,RIC )\n RIN = ROW_LOC( CIC,RIC )\n DO L = 1, NLAYS_IN\n ICIN( CIC,RIC,L ) = CONCIN( CIN,RIN,L )\n END DO\n END DO\n END DO\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC Do vertical interpolation/extrapolation\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n \n CALL M3_VINTERP ( LOGUNIT, SDATE, STIME,\n & NCOLS_IN, NROWS_IN, NLAYS_IN, NSPCS_IN,\n & COL_LOC, ROW_LOC,\n & ICIN, ICVI, CTM_FL_NAME )\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC Write the output IC concentrations\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n \n! LNEG = .FALSE.\n FLN = ( N - 1 ) / MXVARS3 + 1\n \n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n COUT( C,R,L ) = ICVI( C,R,L )\n! IF ( COUT( C,R,L ) .LT. 0.0 ) THEN\n! LNEG = .TRUE.\n! ELSE IF ( COUT( C,R,L ) .LT. CMIN ) THEN\n! COUT( C,R,L ) = CMIN\n! END IF \n END DO\n END DO\n END DO\n\n IF ( .NOT. WRITE3( IC_FNAME( FLN ), VNAME, SDATE, STIME,\n & COUT( 1,1,1 ) ) ) THEN\n MSG = 'Could not WRITE species ' // VNAME // \n & 'to file ' // IC_FNAME( FLN ) \n CALL M3EXIT ( PNAME, SDATE, STIME, MSG, XSTAT1 )\n END IF\n\n END DO\n\n END DO\n \n! IF ( LNEG ) THEN\n! MSG = 'Negative ICs output'\n! CALL M3EXIT ( PNAME, SDATE, STIME, MSG, XSTAT2 )\n! END IF\n\n WRITE( LOGUNIT, '( /5X, 3( A, :, 1X ), I8, \":\", I6.6 )' )\n & 'Timestep written to', IC_FNAME( FLN ),\n & 'for date and time', SDATE, STIME\n\n RETURN\n\n END\n\n\n" }, { "path": "PREP/icon/src/m3conc/m3_vinterp.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/ICON/src/m3conc/m3_vinterp.F,v 1.2 2011/10/21 16:41:54 yoj Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\n\n SUBROUTINE M3_VINTERP( LOGUNIT, SDATE, STIME, \n & NCOLS_IN, NROWS_IN, NLAYS_IN, NSPCS_IN,\n & COL_LOC, ROW_LOC,\n & ICIN, ICVI, CTM_FL_NAME )\n\nC***********************************************************************\n \nC Function: Interpolates/Extrapolates concentrations in vertical.\nC The number of layers in ICIN is collapsed or expanded\nC according to the number of layers in env var LAYER_FILE.\nC Interpolation is done using rational function interpolation\nC ( Numerical Recipes, Press et al.) or linear \nC interpolation. When extrapolation is required, the \nC concentration of the outside layer is used. If the input \nC file has only one layer, the concentrations in that layer\nC are used for all output layers.\n \nC Preconditions: None\n \nC Key Subroutines/Functions Called: LR_INTERP \n \nC Revision History:\nC Prototype created by Jerry Gipson, January, 1998 \nC Modified by JG 5/26/99 to treat PinG plumes\nC 02/09/00 David Wong, LM\nC -- replaced NROWS and NCOLS with MY_NROWS and MY_NCOLS,\nC respectively, in loops\nC -- blocked all HPALLOC or HPDALLOC calls by using a CPP flag F90\nC 01/24/02 Steve Howard (Jeff Young) - dynamic allocation\nC 12/13/04 J.Young: vert dyn alloc - Use VGRD_DEFN\nC 08 Jun 11 J.Young: Replaced I/O API include files with UTILIO_DEFN\nC 05 Jul 11 David Wong: - added PRE_COL_LOC and PRE_ROW_LOC to hold\nC pre normalized value of COL_LOC and ROW_LOC,\nC respectively\nC - used COLSX_PE and ROWSX_PE to determine the\nC beginning and ending column and row number for\nC calling INTERPX with MET_CRO_3D_FIN file\nC - used PRE_COL_LOC and PRE_ROW_LOC to determine the\nC beginning and ending column and row number for\nC calling INTERPX with MET_CRO_3D_CRS file\nC 21 May 12 J.Young: Replaced IC_PARMS include file with an F90 module\nC 06 Nov 18 S.Roselle: Removed parallel processing code;\nC Replaced UTILIO_DEFN with M3UTILIO\nC 10 June 19 F. Sidi : - Commented out Integer STATUS because it is unused\nC - Resolved Memory Issue by looping over species instead\nC - Added First_Time logical and save statements to \nC avoid re-printing of redundant write statements \nC 20 April 21 C. Hogrefe: Force height or pressure interpolation if either \nC grid uses hybrid vertical coordinates \n\n \nC***********************************************************************\n\n USE HGRD_DEFN ! Module to store and load the horizontal grid variables\n USE VGRD_DEFN ! vertical layer specifications\n USE M3UTILIO ! IOAPI module\n USE IC_PARMS ! ICON parameters\n\n IMPLICIT NONE \n\nC Arguments:\n INTEGER, INTENT( IN ) :: LOGUNIT ! Unit number for output log\n INTEGER, INTENT( IN ) :: SDATE ! Date for IC Output\n INTEGER, INTENT( IN ) :: STIME ! Time for IC output\n INTEGER, INTENT( IN ) :: NCOLS_IN ! No. of columns in input conc file\n INTEGER, INTENT( IN ) :: NROWS_IN ! No. of rows in input conc file\n INTEGER, INTENT( IN ) :: NLAYS_IN ! No. of layers in input conc file\n INTEGER, INTENT( IN ) :: NSPCS_IN ! No. of species in input conc file\n INTEGER, INTENT( IN ) :: COL_LOC( :,: ) ! Output IC col corresponding to &\n INTEGER, INTENT( IN ) :: ROW_LOC( :,: ) ! Output IC row corresponding to\n ! a cell in the input conc file\n REAL, INTENT( IN ) :: ICIN( :,:,: ) ! Input conc array\n REAL, INTENT( OUT ) :: ICVI( :,:,: ) ! Output IC array\n CHARACTER( 16 ), INTENT( IN ) :: CTM_FL_NAME( : ) ! Name of input conc file\n\nC Parameters: None\n\nC External Functions: None\n\nC Local Variables:\n\n LOGICAL, SAVE :: LDEC ! Flag for monotonic decreasing layer levels\n LOGICAL, SAVE :: LINC ! Flag for monotonic increasing layer levels\n LOGICAL, SAVE :: L_IDENTICAL ! Flag for identical vert coord systems \n LOGICAL, SAVE :: L_RATINT ! Flag to use rational function interpolation \n LOGICAL, SAVE :: L_SAME_SCALE ! Flag for same vert coord systems but \n ! different resolutions \n LOGICAL, SAVE :: FIRST_TIME = .TRUE. ! Flag for first call to subroutine\n \n CHARACTER( 20 ) :: CHR1 ! Value of variable 1 in character data\n CHARACTER( 20 ) :: CHR2 ! Value of variable 1 in character data\n CHARACTER( 80 ) :: MSG ! Log message\n CHARACTER( 16 ) :: PNAME = 'M3_VINTERP' ! Procedure Name\n CHARACTER( 16 ), SAVE :: ZP_VNAME ! ZH or PRES Variable Name\n\n INTEGER C, CIN ! Loop indices for columns\n INTEGER L ! Loop index for vertical layers\n INTEGER MXLEV ! Largest no. of levels\n INTEGER R, RIN ! Loop indices for rows\n! INTEGER STATUS ! Staus code\n INTEGER V ! Loop index for variables\n INTEGER ALLOCSTAT ! Status returned from array allocation\n\n REAL DELY ! Error estimate for conc interpolated by rational func\n REAL X3 ! Vertical coordinate used in interpolation\n REAL Y ! Interpolated concentration\n\n REAL, ALLOCATABLE, SAVE :: X3_OLD( : ) ! Old Vertical coordinate values\n REAL, ALLOCATABLE, SAVE :: WORKA( : ) ! Work array for conc input\n REAL, ALLOCATABLE, SAVE :: HT_IC( :,:,: ) ! New mid-layer heights\n REAL, ALLOCATABLE, SAVE :: HT_CTM( :,:,: ) ! Old mid-layer heights\n \n \n INTERFACE\n\n SUBROUTINE LR_INTERP ( L_RATINT, XA, YA, N, X, Y, DELY )\n LOGICAL, INTENT( IN ) :: L_RATINT\n REAL, INTENT( IN ) :: XA( : )\n REAL, INTENT( IN ) :: YA( : )\n REAL, INTENT( IN ) :: X\n REAL, INTENT( OUT ) :: Y\n REAL, INTENT( OUT ) :: DELY\n INTEGER, INTENT( IN ) :: N\n END SUBROUTINE LR_INTERP\n\n END INTERFACE\n\nC***********************************************************************\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc allocate arrays\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( FIRST_TIME ) THEN\n\n ALLOCATE( WORKA( NLAYS_IN ), X3_OLD( NLAYS_IN ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n MSG = 'Failure allocating WORKA, X3_OLD'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n ALLOCATE( HT_IC( NCOLS,NROWS,NLAYS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n MSG = 'Failure allocating HT_IC'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n ALLOCATE( HT_CTM( NCOLS_IN,NROWS_IN,NLAYS_IN ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n MSG = 'Failure allocating HT_CTM'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Determine type of interpolation to use: linear or rational function\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( .NOT. DESC3( CTM_FL_NAME( 1 ) ) ) THEN\n MSG = 'Could not read DESC of ' // CTM_FL_NAME( 1 ) \n & // ' file'\n CALL M3EXIT ( PNAME, SDATE, STIME, MSG, XSTAT2 )\n END IF\n \n WRITE( LOGUNIT, 92000 )\n\n L_RATINT = .FALSE.\n MSG = 'Flag for interpolation by rational function'\n! L_RATINT = ENVYN( 'RATIONAL_FUNC', MSG, L_RATINT, STATUS ) \n IF ( .NOT. L_RATINT ) THEN\n MSG = 'Vertical interpolation method: Linear'\n ELSE\n MSG = 'Vertical interpolation method: Rational Function.'\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Check for consistent vertical coordinates\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n L_IDENTICAL = .TRUE.\n L_SAME_SCALE = .TRUE.\n\nc..the following two lines are for testing only\n! L_IDENTICAL = .FALSE.\n! L_SAME_SCALE = .FALSE.\n\n IF ( VGTYP_GD .NE. VGTYP3D .OR. VGTOP_GD .NE. VGTOP3D) THEN \n L_IDENTICAL = .FALSE.\n L_SAME_SCALE = .FALSE.\n END IF\n\n IF ( NLAYS .EQ. NLAYS_IN ) THEN\n DO L = 1, NLAYS + 1\n WRITE( CHR1, 94000 ) VGLVS_GD( L )\n WRITE( CHR2, 94000 ) VGLVS3D ( L )\n IF ( CHR1 .NE. CHR2 ) L_IDENTICAL = .FALSE.\n END DO\n ELSE\n L_IDENTICAL = .FALSE. \n END IF\n\nC If either grid uses hybrid vertical coordinates, force height\nC or pressure interpolation\n\n IF ( ( VGTYP_GD . EQ. -9999 ) .OR. ( VGTYP3D . EQ. -9999 ) ) THEN\n L_IDENTICAL = .FALSE.\n L_SAME_SCALE = .FALSE.\n ENDIF\n\n\n END IF ! END OF FIRST_TIME block \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc For identical vertical coordinates, copy the CTM concs to the output\nc IC array and return\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( L_IDENTICAL ) THEN\n\n IF ( FIRST_TIME ) WRITE( LOGUNIT, 92020 ) \n\n DO C = 1, NCOLS\n DO R = 1, NROWS\n DO L = 1, NLAYS\n ICVI( C, R, L ) = ICIN( C, R, L)\n END DO\n END DO\n END DO\n FIRST_TIME = .FALSE.\n RETURN\n\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Interpolate by VGLEVS for vertical coords of same type but different\nc resolution\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( L_SAME_SCALE ) THEN\n\n IF ( FIRST_TIME) THEN \n\n IF ( .NOT. DESC3( CTM_FL_NAME( 1 ) ) ) THEN\n MSG = 'Could not read DESC of ' // CTM_FL_NAME( 1 )\n & // ' file'\n CALL M3EXIT ( PNAME, SDATE, STIME, MSG, XSTAT2 )\n END IF\n\n WRITE( LOGUNIT, 92040 )\n WRITE( LOGUNIT, 92060 ) VGDESC( VGTYP_GD )\n WRITE( LOGUNIT, 92080 )\n\n MXLEV = MAX( NLAYS + 1, NLAYS_IN + 1 )\n\n DO L = 1, MXLEV \n IF ( L .LE. NLAYS + 1 .AND. L .LE. NLAYS_IN + 1 ) THEN\n WRITE( LOGUNIT, 92100 ) L, VGLVS_GD( L ), VGLVS3D( L )\n ELSE IF ( L .LE. NLAYS + 1 .AND. L .GT. NLAYS_IN + 1 ) THEN\n WRITE( LOGUNIT, 92100 ) L, VGLVS_GD( L )\n ELSE IF ( L .GT. NLAYS + 1 .AND. L .LE. NLAYS_IN + 1 ) THEN\n WRITE( LOGUNIT, 92120 ) L, VGLVS3D( L )\n END IF\n END DO \n\n WRITE( LOGUNIT, 92140 ) MSG \n\n DO L = 1, NLAYS3D \n X3_OLD( L ) = 0.5 * ( VGLVS3D( L ) + VGLVS3D( L+1 ) )\n END DO\n\n LINC = .FALSE.\n LDEC = .FALSE.\n IF ( VGLVS3D ( NLAYS_IN ) .GT. VGLVS3D ( 1 ) ) THEN\n LINC = .TRUE.\n ELSE\n LDEC = .TRUE.\n END IF\n\n END IF ! End of FIRST_TIME Block \n\n DO C = 1, NCOLS\n DO R = 1, NROWS\n DO L = 1, NLAYS_IN\n WORKA( L ) = ICIN( C,R,L )\n END DO\n\n DO L = 1, NLAYS\n\n IF ( NLAYS_IN .EQ. 1 ) THEN\n ICVI( C,R,L ) = WORKA( 1 )\n ELSE\n X3 = 0.5 * ( VGLVS_GD( L ) + VGLVS_GD( L + 1 ) )\n IF ( LINC .AND. X3 .LE. X3_OLD( 1 ) ) THEN\n ICVI( C,R,L ) = WORKA( 1 )\n ELSE IF ( LDEC .AND. X3 .GE. X3_OLD( 1 ) ) THEN\n ICVI( C,R,L ) = WORKA( 1 )\n ELSE IF ( LINC .AND. X3 .GE. X3_OLD( NLAYS_IN ) ) THEN\n ICVI( C,R,L ) = WORKA( NLAYS_IN )\n ELSE IF ( LDEC .AND. X3 .LE. X3_OLD( NLAYS_IN ) ) THEN\n ICVI( C,R,L ) = WORKA( NLAYS_IN )\n ELSE\n CALL LR_INTERP ( L_RATINT, X3_OLD, WORKA, NLAYS_IN,\n & X3, Y, DELY )\n ICVI( C,R,L ) = Y\n END IF\n END IF\n END DO \n END DO\n END DO\n FIRST_TIME = .FALSE.\n RETURN\n\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Interpolate by height for all other vertical grid types; a dynamic\nc array holding heights will need to be allocated\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( FIRST_TIME ) THEN \n \n WRITE( LOGUNIT, 92140 ) MSG\n\n IF ( .NOT. DESC3( MET_CRO_3D_CRS ) ) THEN\n MSG = 'Could not read DESC of ' // MET_CRO_3D_CRS\n & // ' file'\n CALL M3EXIT ( PNAME, SDATE, STIME, MSG, XSTAT2 )\n END IF\n\n ZP_VNAME = 'ZH'\n V = INDEX1( ZP_VNAME, NVARS3D, VNAME3D )\n IF ( V .NE. 0 ) THEN\n WRITE( LOGUNIT, 92160 ) TRIM( ZP_VNAME )\n ELSE\n ZP_VNAME = 'PRES'\n V = INDEX1( ZP_VNAME, NVARS3D, VNAME3D )\n IF ( V .NE. 0 ) THEN\n WRITE( LOGUNIT, 92160 ) TRIM( ZP_VNAME )\n ELSE\n MSG = 'Could not find ZH or PRES in file ' // MET_CRO_3D_CRS \n CALL M3EXIT ( PNAME, SDATE, STIME, MSG, XSTAT1 )\n END IF\n END IF\n\nC Get the layer mid-point heights\n IF ( .NOT. READ3( MET_CRO_3D_FIN, ZP_VNAME, ALLAYS3, SDATE, STIME,\n & HT_IC ) ) THEN\n MSG = 'Could not read layer heights from file ' // MET_CRO_3D_FIN\n CALL M3EXIT ( PNAME, SDATE, STIME, MSG, XSTAT1 )\n END IF\n\n IF ( .NOT. INTERP3( MET_CRO_3D_CRS, ZP_VNAME, PNAME, SDATE, STIME,\n & NROWS_IN*NCOLS_IN*NLAYS_IN, HT_CTM ) ) THEN\n MSG = 'Could not read layer heights from file ' // MET_CRO_3D_CRS\n CALL M3EXIT ( PNAME, SDATE, STIME, MSG, XSTAT1 )\n END IF\n\n END IF ! End of FIRST_TIME block\nC Do the interpolation\n\nC... for height interpolation\n IF ( ZP_VNAME .EQ. 'ZH' ) THEN\n DO C = 1, NCOLS\n DO R = 1, NROWS\n CIN = COL_LOC( C,R )\n RIN = ROW_LOC( C,R )\n! DO V = 1, NSPCS_IN \n \n DO L = 1, NLAYS_IN\n WORKA( L ) = ICIN( C,R,L )\n X3_OLD( L ) = HT_CTM( CIN,RIN,L )\n END DO\n \n DO L = 1, NLAYS\n \n IF ( NLAYS_IN .EQ. 1 ) THEN\n ICVI( C,R,L ) = WORKA( 1 )\n ELSE\n X3 = HT_IC( C,R,L )\n IF ( X3 .LT. X3_OLD( 1 ) ) THEN\n ICVI( C,R,L ) = WORKA( 1 )\n ELSE IF ( X3 .GT. X3_OLD( NLAYS_IN ) ) THEN\n ICVI( C,R,L ) = WORKA( NLAYS_IN )\n ELSE\n CALL LR_INTERP ( L_RATINT, X3_OLD, WORKA, NLAYS_IN,\n & X3, Y, DELY )\n ICVI( C,R,L ) = Y\n END IF\n END IF\n \n END DO\n \n !END DO\n END DO\n END DO\n\nC... for pressure interpolation\n ELSE IF ( ZP_VNAME .EQ. 'PRES' ) THEN\n\n DO C = 1, NCOLS\n DO R = 1, NROWS\n CIN = COL_LOC( C,R )\n RIN = ROW_LOC( C,R )\n ! DO V = 1, NSPCS_IN \n \n DO L = 1, NLAYS_IN\n WORKA( L ) = ICIN( C,R,L )\n X3_OLD( L ) = HT_CTM( CIN,RIN,L )\n END DO\n \n DO L = 1, NLAYS\n \n IF ( NLAYS_IN .EQ. 1 ) THEN\n ICVI( C,R,L ) = WORKA( 1 )\n ELSE\n X3 = HT_IC( C,R,L )\n IF ( X3 .GT. X3_OLD( 1 ) ) THEN\n ICVI( C,R,L ) = WORKA( 1 )\n ELSE IF ( X3 .LT. X3_OLD( NLAYS_IN ) ) THEN\n ICVI( C,R,L ) = WORKA( NLAYS_IN )\n ELSE\n CALL LR_INTERP ( L_RATINT, X3_OLD, WORKA, NLAYS_IN,\n & X3, Y, DELY )\n ICVI( C,R,L ) = Y\n END IF\n END IF\n \n END DO\n \n !END DO\n END DO\n END DO\n\n END IF\n FIRST_TIME = .FALSE.\n RETURN\n\nC************************* FORMAT Statements ***************************\n\n92000 FORMAT( // 1X, 79( '#' ) \n & / 1X, '# Vertical Interpolation Section '\n & / 1X, 79( '#' ) ) \n\n92020 FORMAT( // 5X, 'The vertical structure in Layer Defn is identical'\n & ' to that in the CTM input file. '\n & // 5X, 'No vertical interpolation necessary' )\n\n92040 FORMAT( // 5X, 'The Layer Defn and CTM vertical grid types are the '\n & 'same, but the resolution is different.' /\n & 5X, 'Vertical interpolation using VGLVS '\n & '(listed below). ' )\n\n92060 FORMAT( // 5X, 'Vertical grid type: ', A )\n\n92080 FORMAT( // 5X, 'Vertical layer surface values (VGLVS) : '\n & /10X, ' K Layer Defn Input CTM' )\n\n92100 FORMAT( 10X, I2, 1X, F12.3, 1X, F12.3 )\n\n92120 FORMAT( 10X, I2, 13X, 1X, F12.3 )\n\n92140 FORMAT( //5X, A )\n\n92160 FORMAT( //5X, 'The COORD.EXT and CTM vertical grid types are ',\n & 'different. '\n & / 5X, 'Vertical interpolation using ', A, 1X,\n & 'from the MET_CRO_3D files' )\n\n94000 FORMAT( 1PE20.4 )\n\n END\n" }, { "path": "PREP/icon/src/profile/prof_driver.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/ICON/src/profile/prof_driver.F,v 1.2 2011/10/21 16:41:56 yoj Exp $\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\n\n SUBROUTINE PROF_INIC( LOGUNIT ) \n\nC***********************************************************************\n \nC Function: Opens the input profile data file, and calls the routine to \nC compute the ICs and write the output IC file \n \nC Preconditions: None\n \nC Key Subroutines/Functions Called: ICOUT\n \nC Revision History: Prototype created by Jerry Gipson, January, 1998\nC Modified April 1998 by JG to remove ppb option for \nC input profile file\nC 06 Jun 11 J.Young: Replaced I/O API include files with UTILIO_DEFN\nC 07 Jun 11 J.Young: Removed RADM2<->CB4 mechanism conversion feature\nC 13 Jun 11 J.Young: Convert for Namelist redesign\nC 21 May 12 J.Young: Replaced IC_PARMS include file with an F90 module\nC 02 Nov 18 S.Roselle: Removed species mapping\nC 06 Nov 18 S.Roselle: Replaced UTILIO_DEFN with M3UTILIO\n\nC***********************************************************************\n\n USE M3UTILIO ! IOAPI module\n USE IC_PARMS ! ICON parameters\n\n IMPLICIT NONE \n\nC Arguments: \n INTEGER, INTENT( IN ) :: LOGUNIT ! Unit number for output log\n\nC Parameters: None\n\nC Local Variables:\n CHARACTER( 16 ) :: ENV_DFLT = ' ' ! Environment variable default value\n CHARACTER( 80 ) :: ENV_DESC ! Environment variable description\n CHARACTER( 80 ) :: MSG ! Log message\n CHARACTER( 16 ) :: PNAME = 'PROF_INIC' ! Procedure name\n CHARACTER( 256 ) :: PROF_FL_NAME ! Input profile file name\n CHARACTER( 16 ) :: IC_PROFILE = 'IC_PROFILE' ! Logical name of input profile file\n \n INTEGER STATUS ! Status code\n\n INTERFACE\n\n SUBROUTINE PROF_ICOUT ( LOGUNIT, PROF_FL_NAME )\n INTEGER, INTENT( IN ) :: LOGUNIT\n CHARACTER( 256 ), INTENT( IN ) :: PROF_FL_NAME\n END SUBROUTINE PROF_ICOUT\n\n END INTERFACE\n\nC***********************************************************************\n\n WRITE( LOGUNIT, 92000 )\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Open the input profile file, read the number of species and their \nc names, and list the file on the output log\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n ENV_DESC = 'Input IC Profile file' \n CALL ENVSTR ( IC_PROFILE, ENV_DESC, ENV_DFLT, PROF_FL_NAME, STATUS )\n\n IF ( STATUS .NE. 0 ) THEN\n MSG = 'No IC profile file assigned to IC_PROFILE'\n CALL M3ERR ( PNAME, 0, 0, MSG, .TRUE. )\n END IF\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Compute ICs from the input PROFILE and output\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n CALL PROF_ICOUT ( LOGUNIT, PROF_FL_NAME )\n\n RETURN\n\nC************************* FORMAT STATEMENTS ***************************\n\n92000 FORMAT( // 1X, 79( '#' ) \n & / 1X, '# Input file section '\n & / 1X, 79( '#' )\n & // 5X, 'Initial Concentrations from an input IC profile ',\n & 'file.' )\n\n END\n" }, { "path": "PREP/icon/src/profile/prof_icout.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/ICON/src/profile/prof_icout.F,v 1.2 2011/10/21 16:41:56 yoj Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\n\n SUBROUTINE PROF_ICOUT ( LOGUNIT, PROF_FL_NAME )\n\nC***********************************************************************\n \nC Function: Reads the input profile concentration file and opens and\nC writes the output IC file\n \nC Preconditions: None\n \nC Key Subroutines/Functions Called: OPN_IC_FILE\nC PROF_VINTERP \n \nC Revision History:\nC Prototype created by Jerry Gipson, January, 1998\nC Modified April 1998 by JG to remove ppb option for \nC input profile file\nC Modified 4/22/99 by JG to provide default treatment\nC for missing SDATE and STIME\nC Modified 04/20/00 by David Wong, LM\nC -- enable parallelization\nC 01/24/02 Steve Howard (Jeff Young) - dynamic allocation\nC 12/13/04 J.Young: vert dyn alloc - Use VGRD_DEFN\nC 06 Jun 11 J.Young: Replaced I/O API include files with UTILIO_DEFN\nC 21 May 12 J.Young: Replaced IC_PARMS include file with an F90 module\nC 02 Sep 18 C.Hogrefe and S.Roselle: Adapted to read new profile format;\nC removed species mapping\nC 06 Nov 18 S.Roselle: Replaced UTILIO_DEFN with M3UTILIO\n \nC***********************************************************************\n\n USE HGRD_DEFN ! Module to store and load the horizontal grid variables\n USE VGRD_DEFN ! vertical layer specifications\n USE M3UTILIO ! IOAPI module\n USE IC_PARMS ! ICON parameters\n\n IMPLICIT NONE \n\n\nC Arguments: \n INTEGER, INTENT( IN ) :: LOGUNIT ! Unit number for output log\n CHARACTER( 256 ), INTENT( IN ):: PROF_FL_NAME ! Input profile file name\n\nC Parameters: none\n\nC Local Variables:\n CHARACTER( 80 ) :: MSG = ' ' ! Log message\n CHARACTER( 16 ) :: PNAME = 'PROF_ICOUT' ! Program Name\n CHARACTER( 16 ) :: VNAME ! Species name on CTM conc file\n CHARACTER( 16 ), ALLOCATABLE :: IC_FNAME( : ) ! Logical names of IC Output file(s)\n\n CHARACTER(1000) :: RECORD\n CHARACTER(16), ALLOCATABLE :: VNAME_PROF_TEMP(:)\n CHARACTER(16), ALLOCATABLE :: VUNIT_PROF_TEMP(:)\n CHARACTER(16), ALLOCATABLE :: PROF_SP_NAME( : ) ! Profile species names\n CHARACTER(16), ALLOCATABLE :: UNITS_IN( : ) ! Units for CTM species\n CHARACTER(80), ALLOCATABLE :: VDESC_IN( : ) ! Variable description for CTM species\n\n INTEGER NSPCS_IN ! Total No. of species in input file(s)\n INTEGER NLAYS_IN ! No. of layers in input file\n INTEGER C, R ! Column, Row loop indices\n INTEGER FLN ! IC output file number\n INTEGER L ! Layer loop index\n INTEGER N ! Loop indices for species\n INTEGER PFILE ! Unit number of profile file \n INTEGER SDATE ! Date for IC Output\n INTEGER STIME ! Time for IC output\n INTEGER TSTEP ! Timestep for IC Output\n\n INTEGER I, K, NVARS, NFIELDS\n INTEGER IOSTATUS ! Status code\n INTEGER ALLOCSTAT ! Status returned from array allocation\n\n INTEGER, ALLOCATABLE :: VTYPE_IN( : ) ! variable type for CTM species\n\n LOGICAL LNEG ! Flag for negative concentrations\n\n REAL, ALLOCATABLE :: ZH_IN( : ) ! Input layer heights\n REAL, ALLOCATABLE :: COUT( :,:,: ) ! Output IC conc\n REAL, ALLOCATABLE :: INPROF( :,: ) ! Input conc profiles\n REAL, ALLOCATABLE :: VIPROF( :,:,:,: ) ! Vert. interp. profiles\n \n REAL, ALLOCATABLE :: VAR_PROF_TEMP( :,: )\n\n INTERFACE\n\n SUBROUTINE PROF_VINTERP( LOGUNIT, NSPCS_IN, NLAYS_IN, ZH_IN,\n & CONCIN, CONCOUT )\n INTEGER, INTENT( IN ) :: LOGUNIT\n INTEGER, INTENT( IN ) :: NSPCS_IN\n INTEGER, INTENT( IN ) :: NLAYS_IN\n REAL, INTENT( IN ) :: ZH_IN( : )\n REAL, INTENT( IN ) :: CONCIN( :,: )\n REAL, INTENT( OUT ) :: CONCOUT( :,:,:,: )\n END SUBROUTINE PROF_VINTERP\n\n SUBROUTINE OPN_IC_FILE ( LOGUNIT, SDATE, STIME, TSTEP, NSPCS_OUT,\n & SPNAME_OUT, VTYPE_OUT, UNITS_OUT,\n & VDESC_OUT, IC_FNAME, RINDX )\n CHARACTER( 16 ), INTENT( OUT ) :: IC_FNAME( : )\n CHARACTER( 16 ), INTENT( IN ) :: SPNAME_OUT( : )\n CHARACTER( 16 ), INTENT( IN ) :: UNITS_OUT( : )\n CHARACTER( 80 ), INTENT( IN ) :: VDESC_OUT( : )\n INTEGER, INTENT( IN ) :: LOGUNIT\n INTEGER, INTENT( IN ) :: NSPCS_OUT\n INTEGER, INTENT( IN ) :: RINDX\n INTEGER, INTENT( IN ) :: SDATE\n INTEGER, INTENT( IN ) :: STIME\n INTEGER, INTENT( IN ) :: TSTEP\n INTEGER, INTENT( IN ) :: VTYPE_OUT( : )\n END SUBROUTINE OPN_IC_FILE\n\n END INTERFACE\n\nC***********************************************************************\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Read the input profile file data \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n PFILE = JUNIT()\n\n OPEN( UNIT = PFILE, FILE = PROF_FL_NAME, ERR = 999 )\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc read comment lines\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n DO \n READ( PFILE,'(A)',IOSTAT = IOSTATUS ) RECORD\n IF ( IOSTATUS .NE. 0 ) THEN\n MSG = 'Error reading profile file'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n IF ( RECORD(1:1) .NE. '#' ) EXIT\n END DO\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc done reading comment lines, now parse column names\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n NFIELDS = 1\n DO I = 1, LEN( RECORD )\n IF ( RECORD(I:I) .EQ. ',' ) NFIELDS = NFIELDS + 1\n END DO\n NLAYS_IN = NFIELDS - 2 ! FIELDS 1 AND 2 ARE NAME AND UNITS\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc allocate arrays\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n ALLOCATE( VAR_PROF_TEMP( MX_INFL_SP, NLAYS_IN ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n MSG = 'Failure allocating VAR_PROF_TEMP'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n ALLOCATE( INPROF( NLAYS_IN, MX_INFL_SP ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n MSG = 'Failure allocating INPROF'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n ALLOCATE( ZH_IN( NLAYS_IN ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n MSG = 'Failure allocating ZH_IN'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n ALLOCATE( VNAME_PROF_TEMP( MX_INFL_SP),\n & VUNIT_PROF_TEMP( MX_INFL_SP),\n & PROF_SP_NAME( MX_INFL_SP ),\n & STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n MSG = 'Failure allocating VNAME_PROF_TEMP, VUNIT_PROF_TEMP, PROF_SP_NAME'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n ALLOCATE( UNITS_IN( MX_INFL_SP ),\n & VDESC_IN( MX_INFL_SP ),\n & VTYPE_IN( MX_INFL_SP ),\n & STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n MSG = 'Failure allocating UNITS_IN, VDESC_IN, VTYPE_IN'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n ALLOCATE( IC_FNAME( MXCTMS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n MSG = 'Failure allocating IC_FNAME'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc read data fields\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n NVARS = 1\n DO \n READ( PFILE,*,IOSTAT = IOSTATUS )\n & VNAME_PROF_TEMP( NVARS ),\n & VUNIT_PROF_TEMP( NVARS ),\n & ( VAR_PROF_TEMP( NVARS,K ), K=1,NLAYS_IN )\n\n IF ( IOSTATUS .NE. 0 ) THEN\n IF ( NVARS .EQ. 1 ) THEN ! error in first data line\n MSG = 'Error: no species data in profile file'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT2 )\n ELSE\n EXIT\n END IF\n END IF\n NVARS = NVARS + 1\n END DO\n NVARS = NVARS - 1\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc load data into species arrays\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n NSPCS_IN = 0\n INPROF = 0.0\n DO N = 1, NVARS\n IF ( N .EQ. INDEX1( 'PRES', NVARS, VNAME_PROF_TEMP ) ) THEN\n \t CYCLE\n ELSE IF ( N .EQ. INDEX1( 'ZH', NVARS, VNAME_PROF_TEMP ) ) THEN\n DO L = 1, NLAYS_IN\n ZH_IN( L ) = VAR_PROF_TEMP( N,L )\n END DO\n ELSE IF ( N .EQ. INDEX1( 'ZF', NVARS, VNAME_PROF_TEMP ) ) THEN\n \t CYCLE\n ELSE IF ( N .EQ. INDEX1( 'WVEL', NVARS, VNAME_PROF_TEMP ) ) THEN\n \t CYCLE\n ELSE\n NSPCS_IN = NSPCS_IN + 1\n PROF_SP_NAME( NSPCS_IN ) = VNAME_PROF_TEMP( N )\n UNITS_IN( NSPCS_IN ) = VUNIT_PROF_TEMP( N )\n VTYPE_IN( NSPCS_IN ) = M3REAL\n VDESC_IN( NSPCS_IN ) = VNAME_PROF_TEMP( N )\n DO L = 1, NLAYS_IN\n INPROF( L,NSPCS_IN ) = VAR_PROF_TEMP( N,L )\n END DO\n END IF\n END DO\n\n ALLOCATE( VIPROF( NCOLS, NROWS, NLAYS, NSPCS_IN ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n MSG = 'Failure allocating VIPROF'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc vertical interpolation\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n CALL PROF_VINTERP ( LOGUNIT, NSPCS_IN, NLAYS_IN, ZH_IN, INPROF, VIPROF )\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Open IC output file\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n SDATE = 0\n STIME = 0\n TSTEP = 0\n CALL OPN_IC_FILE ( LOGUNIT, SDATE, STIME, TSTEP, NSPCS_IN,\n & PROF_SP_NAME, VTYPE_IN, UNITS_IN, VDESC_IN,\n & IC_FNAME, 1 )\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Write the output IC concentrations\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n ALLOCATE( COUT( NCOLS, NROWS, NLAYS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n MSG = 'Failure allocating COUT'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n LNEG = .FALSE.\n\n DO N = 1, NSPCS_IN\n\n FLN = ( N - 1 ) / MXVARS3 + 1\n VNAME = PROF_SP_NAME( N )\n \n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n COUT( C,R,L ) = VIPROF( C,R,L,N )\n END DO\n END DO\n END DO\n \n IF ( .NOT. WRITE3( IC_FNAME( FLN ), VNAME, SDATE, STIME,\n & COUT( 1,1,1 ) ) ) THEN\n MSG = 'Could not WRITE species ' // VNAME // \n & 'to file ' // IC_FNAME( FLN ) \n CALL M3EXIT ( PNAME, SDATE, STIME, MSG, XSTAT2 )\n END IF\n\n END DO\n\n IF ( LNEG ) THEN\n MSG = 'Negative ICs output'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n\n RETURN\n\n999 CONTINUE \n\n MSG = 'Could not open file ' // PROF_FL_NAME\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT2 )\n\nC************************* FORMAT STATEMENTS ***************************\n\n94000 FORMAT( 1X )\n\n END\n" }, { "path": "PREP/icon/src/profile/prof_vinterp.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/ICON/src/profile/prof_vinterp.F,v 1.2 2011/10/21 16:41:57 yoj Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\n\n SUBROUTINE PROF_VINTERP ( LOGUNIT, NSPCS_IN, NLAYS_IN, ZH_IN,\n & CONCIN, CONCOUT )\n\nC*************************************************************************\n \nC Function: Interpolates/Extrapolates concentrations in vertical.\nC The number of layers in CONCIN is collapsed or expanded\nC according to the number of layers in COORD.EXT.\nC Interpolation is done using rational function interpolation\nC ( Numerical Recipes, Press et al.) or linear \nC interpolation. When extapolation is required, the \nC concentration of the outside layer is used. If the input \nC file has only one layer, the concentrations in that layer\nC are used for all output layers.\n \nC Preconditions: None\n \nC Key Subroutines/Functions Called: LR_INTERP \n \nC Revision History: Prototype created by Jerry Gipson, January, 1998 \nC 01/24/02 Steve Howard (Jeff Young) - dynamic allocation\nC 12/13/04 J.Young: vert dyn alloc - Use VGRD_DEFN\nC 06 Jun 11 J.Young: Replaced I/O API include files with UTILIO_DEFN\nC 21 May 12 J.Young: Replaced IC_PARMS include file with an F90 module\nC 02 Nov 19 S.Roselle: Reconfigured to do vertical interpolation to\nC target vertical layer heights (ZH)\nC 06 Nov 18 S.Roselle: Replaced UTILIO_DEFN with M3UTILIO\nC 30 Nov 18 S.Roselle: To provide spatially uniform ICs, target domain \nC average mid-layer heights are used for the vertical\nC interpolation\nC 10 June 19 F. Sidi : Commented out INTEGER STATUS because it is unused\n \nC*************************************************************************\n\n USE HGRD_DEFN ! Module to store and load the horizontal grid variables\n USE VGRD_DEFN ! vertical layer specifications\n USE M3UTILIO ! IOAPI module\n USE IC_PARMS ! ICON parameters\n\n IMPLICIT NONE \n\nC Arguments: \n INTEGER, INTENT( IN ) :: LOGUNIT ! Unit number for output log\n INTEGER, INTENT( IN ) :: NSPCS_IN ! No. of species in input profile\n INTEGER, INTENT( IN ) :: NLAYS_IN ! No. of layers in input profile\n\n REAL, INTENT( IN ) :: ZH_IN( : ) ! Input layer heights\n REAL, INTENT( IN ) :: CONCIN( :,: ) ! Input conc array\n REAL, INTENT( OUT ) :: CONCOUT( :,:,:,: ) ! Output IC array\n\nC Parameters: None\n\nC External Functions: None\n\nC Local Variables:\n CHARACTER( 80 ) :: MSG ! Log message\n CHARACTER( 16 ) :: PNAME = 'PROF_VINTERP' ! Procedure Name\n CHARACTER( 16 ) :: VNAME ! Variable Name\n\n INTEGER L ! Loop index for vertical layers\n INTEGER N ! Loop index\n INTEGER C, R ! Loop indices for col, row\n! INTEGER STATUS ! Status code\n INTEGER JDATE ! Date for first record on CRO file\n INTEGER JTIME ! Time for first record on CRO file\n INTEGER ALLOCSTAT ! Status returned from array allocation\n\n LOGICAL L_RATINT ! Flag to use rational function interpolation \n\n REAL DELY ! Error estimate for conc interpolated by rational func\n REAL X3 ! Vertical coordinate used in interpolation\n REAL Y ! Interpolated concentration\n\n REAL, ALLOCATABLE :: WORKA( : ) ! Work array for conc input\n REAL, ALLOCATABLE :: X3_OLD( : ) ! Old Vertical coordinate values\n REAL, ALLOCATABLE :: ZH_OUT( :,:,: ) ! mid-layer heights for target file\n REAL, ALLOCATABLE :: ZH_OUT_AVG( : ) ! domain average mid-layer heights for target file\n \n INTERFACE\n\n SUBROUTINE LR_INTERP ( L_RATINT, XA, YA, N, X, Y, DELY )\n LOGICAL, INTENT( IN ) :: L_RATINT\n REAL, INTENT( IN ) :: XA( : )\n REAL, INTENT( IN ) :: YA( : )\n REAL, INTENT( IN ) :: X\n REAL, INTENT( OUT ) :: Y\n REAL, INTENT( OUT ) :: DELY\n INTEGER, INTENT( IN ) :: N\n END SUBROUTINE LR_INTERP\n\n END INTERFACE\n\nC**********************************************************************\n\n ALLOCATE( WORKA( NLAYS_IN ),\n & X3_OLD( NLAYS_IN ),\n & ZH_OUT( NCOLS,NROWS,NLAYS ),\n & ZH_OUT_AVG( NLAYS ),\n & STAT = ALLOCSTAT )\n\n IF ( ALLOCSTAT .NE. 0 ) THEN\n MSG = 'Failure allocating WORKA, X3_OLD, ZH_OUT, ZH_OUT_AVG'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc open MET_CRO_3D_FIN file\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( .NOT. OPEN3 ( MET_CRO_3D_FIN, FSREAD3, PNAME ) ) THEN\n MSG = 'Could not open ' // MET_CRO_3D_FIN // ' file'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n JDATE = SDATE3D\n JTIME = STIME3D\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Determine type of interpolation to use: linear or rational function\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n L_RATINT = .FALSE.\n MSG = 'Flag for interpolation by rational function'\n! L_RATINT = ENVYN( 'RATIONAL_FUNC', MSG, L_RATINT, STATUS ) \n IF ( .NOT. L_RATINT ) THEN\n MSG = 'Linear vertical interpolation used'\n ELSE\n MSG = 'Vertical interpolation by rational function'\n END IF\n CALL M3MESG ( MSG )\n \nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Interpolate by ZH\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\nC Get the layer mid-point heights\n VNAME = 'ZH'\n IF ( .NOT. READ3( MET_CRO_3D_FIN, VNAME, ALLAYS3, JDATE, JTIME,\n & ZH_OUT ) ) THEN\n MSG = 'Could not read layer heights form file ' // MET_CRO_3D_FIN \n CALL M3ERR ( PNAME, JDATE, JTIME, MSG, .TRUE. )\n END IF\n\nC Compute domain average layer mid-point heights\n\n ZH_OUT_AVG = 0.0\n DO L = 1, NLAYS\n DO C = 1, NCOLS\n DO R = 1, NROWS\n ZH_OUT_AVG( L ) = ZH_OUT_AVG( L ) + ZH_OUT( C,R,L )\n END DO\n END DO\n ZH_OUT_AVG( L ) = ZH_OUT_AVG( L ) / ( NCOLS * NROWS )\n END DO\n\n DO L = 1, NLAYS_IN \n X3_OLD( L ) = ZH_IN( L )\n END DO\n\n CONCOUT = 0.0\n DO N = 1, NSPCS_IN \n\n DO L = 1, NLAYS_IN\n WORKA( L ) = CONCIN( L,N )\n END DO\n\n IF ( NLAYS_IN .EQ. 1 ) THEN\n\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n CONCOUT( C,R,L,N ) = WORKA( 1 )\n END DO\n END DO\n END DO\n\n ELSE\n\n DO L = 1, NLAYS\n\n X3 = ZH_OUT_AVG( L )\n\n IF ( X3 .LT. X3_OLD( 1 ) ) THEN\n\n DO R = 1, NROWS\n DO C = 1, NCOLS\n CONCOUT( C,R,L,N ) = WORKA( 1 )\n END DO\n END DO\n\n ELSE IF ( X3 .GT. X3_OLD( NLAYS_IN ) ) THEN\n\n DO R = 1, NROWS\n DO C = 1, NCOLS\n CONCOUT( C,R,L,N ) = WORKA( NLAYS_IN )\n END DO\n END DO\n\n ELSE\n\n CALL LR_INTERP ( L_RATINT, X3_OLD, WORKA, NLAYS_IN,\n & X3, Y, DELY )\n DO R = 1, NROWS\n DO C = 1, NCOLS\n CONCOUT( C,R,L,N ) = Y\n END DO\n END DO\n\n END IF\n\n END DO\n\n END IF\n\n END DO\n\n RETURN\n\n END\n" }, { "path": "PREP/icon/src/tracer/trac_driver.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/ICON/src/tracer/trac_driver.F,v 1.2 2011/10/21 16:41:57 yoj Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\n\n SUBROUTINE TRAC_INIC ( LOGUNIT )\n\nC***********************************************************************\n \nC Function: Call the routine to compute catalogued special tracer species\nC ICs and write the Models-3 output file\n \nC Preconditions: None\n \nC Key Subroutines/Functions Called:\n \nC Revision History:\nC Prototype created by Jerry Gipson, January, 1998 \nC 01/24/02 Steve Howard (Jeff Young) - dynamic allocation\nC 19 Jul 11 J.Young: Convert for Namelist redesign + UTILIO_DEFN\nC 21 May 12 J.Young: Replaced IC_PARMS include file with an F90 module\nC 05 Nov 18 S.Roselle: UTILIO_DEFN replaced with M3UTILIO\n\nC***********************************************************************\n\n USE HGRD_DEFN ! Module to store and load the horizontal grid variables\n USE VGRD_DEFN ! vertical layer specifications\n USE M3UTILIO ! IOAPI\n USE IC_PARMS ! ICON parameters\n\n IMPLICIT NONE \n\nC Arguments: \n INTEGER, INTENT( IN ) :: LOGUNIT ! Unit number for output log\n\nC Parameters: None\n\nC External Functions: None\n \nC Local Variables:\n CHARACTER( 80 ) :: MSG ! Log message\n CHARACTER( 16 ) :: PNAME = 'TRAC_INIC' ! Procedure name\n CHARACTER( 16 ) :: VNAME ! Output variable name\n\n CHARACTER( 16 ), ALLOCATABLE :: SPNAME_OUT( : ) ! Output tracer names\n CHARACTER( 16 ), ALLOCATABLE :: UNITS_OUT( : ) ! Output tracer units\n\n CHARACTER( 16 ), ALLOCATABLE :: TR_FNAME( : ) ! Output file name\n \n INTEGER FLN ! Output file number\n INTEGER N ! Loop index\n INTEGER NSPCS_OUT ! Number of IC species on output file(s)\n INTEGER ALLOCSTAT ! Status returned from array allocation\n INTEGER SDATE ! Date for IC Output\n INTEGER STIME ! Time for IC output\n INTEGER TSTEP ! Timestep for IC Output\n\n INTEGER, ALLOCATABLE :: VTYPE_OUT( : ) ! Output tracer variable type\n\n REAL, ALLOCATABLE :: TCOUT( :,:,: ) ! Output tracer concs\n\n INTERFACE\n\n SUBROUTINE OPN_IC_FILE ( LOGUNIT, SDATE, STIME, TSTEP, NSPCS_OUT,\n & SPNAME_OUT, VTYPE_OUT, UNITS_OUT,\n & VDESC_OUT, IC_FNAME, RINDX )\n CHARACTER( 16 ), INTENT( OUT ) :: IC_FNAME( : )\n CHARACTER( 16 ), INTENT( IN ) :: SPNAME_OUT( : )\n CHARACTER( 16 ), INTENT( IN ) :: UNITS_OUT( : )\n CHARACTER( 80 ), INTENT( IN ) :: VDESC_OUT( : )\n INTEGER, INTENT( IN ) :: LOGUNIT\n INTEGER, INTENT( IN ) :: NSPCS_OUT\n INTEGER, INTENT( IN ) :: RINDX\n INTEGER, INTENT( IN ) :: SDATE\n INTEGER, INTENT( IN ) :: STIME\n INTEGER, INTENT( IN ) :: TSTEP\n INTEGER, INTENT( IN ) :: VTYPE_OUT( : )\n END SUBROUTINE OPN_IC_FILE\n\n SUBROUTINE TRAC_IC ( TRNAME, TCOUT )\n CHARACTER( 16 ), INTENT( IN ) :: TRNAME\n REAL, INTENT( OUT ) :: TCOUT( :,:,: )\n END SUBROUTINE TRAC_IC\n\n END INTERFACE\n\nC***********************************************************************\n\n WRITE( LOGUNIT, 92000 )\n \n ALLOCATE( TR_FNAME( MXCTMS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n MSG = 'Failure allocating TR_FNAME'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n ALLOCATE( UNITS_OUT( NTRACERS ),\n & SPNAME_OUT( NTRACERS ),\n & VTYPE_OUT( NTRACERS ),\n & STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n MSG = 'Failure allocating UNITS_OUT, SPNAME_OUT, VTYPE_OUT'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n NSPCS_OUT = NTRACERS\n DO N = 1, NSPCS_OUT\n SPNAME_OUT( N ) = TRAC_NAME( N )\n VTYPE_OUT( N ) = M3REAL\n UNITS_OUT( N ) = \"N/A\"\n END DO\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc open the Models3 IC output file(s)\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n SDATE = 0\n STIME = 0\n TSTEP = 0\n CALL OPN_IC_FILE( LOGUNIT, SDATE, STIME, TSTEP,\n & NSPCS_OUT, SPNAME_OUT, VTYPE_OUT, UNITS_OUT, TRAC_DESC,\n & TR_FNAME, 1 ) \n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc compute the ICs and write the ooutput file\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n ALLOCATE ( TCOUT( NCOLS,NROWS,NLAYS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n MSG = 'Error allocating TCOUT'\n CALL M3EXIT ( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n\n DO N = 1, NSPCS_OUT\n\n FLN = ( N - 1 ) / MXVARS3 + 1\n VNAME = SPNAME_OUT( N )\n\n CALL TRAC_IC ( VNAME, TCOUT )\n\n IF ( .NOT. WRITE3( TR_FNAME( FLN ), VNAME, SDATE, STIME,\n & TCOUT ) ) THEN\n MSG = 'Could not WRITE species ' // TRIM( VNAME )\n & // 'to file ' // TR_FNAME( FLN ) \n CALL M3EXIT( PNAME, SDATE, STIME, MSG, XSTAT1 )\n END IF\n\n END DO\n\n RETURN\n\nC************************* FORMAT STATEMENTS ***************************\n\n92000 FORMAT( // 1X, 79( '#' ) \n & / 1X, '# TRACER species section '\n & / 1X, 79( '#' )\n & // 5X, 'The tracer species module has been invoked; ',\n & 'ICs will be generated for tracer species ONLY.' )\n\n END\n" }, { "path": "PREP/icon/src/tracer/trac_ic.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/ICON/src/tracer/trac_ic.F,v 1.2 2011/10/21 16:41:58 yoj Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\n SUBROUTINE TRAC_IC ( TRNAME, TCOUT )\n\nC***********************************************************************\n \nC Function: Compute ICs for special tracer species\n \nC Preconditions: None\n \nC Key Subroutines/Functions Called: \n \nC Revision History:\nC Prototype created by Daewon Byun\nC Modified for implementation in Models-3 ICON by Jerry Gipson, January, 1998\nC 01/24/02 Steve Howard (Jeff Young) - dynamic allocation\nC 19 Jul 11 J.Young: Convert for Namelist redesign\nC 21 May 12 J.Young: Replaced IC_PARMS include file with an F90 module\n \nC***********************************************************************\n\n USE HGRD_DEFN ! Module to store and load the horizontal grid variables\n USE VGRD_DEFN ! vertical layer specifications\n USE M3UTILIO ! IOAPI module\n USE IC_PARMS ! ICON paramters\n\n IMPLICIT NONE \n\nC Include FILES:\n\nC Arguments: \n CHARACTER( 16 ), INTENT( IN ) :: TRNAME ! Tracer name\n\n REAL, INTENT( OUT ) :: TCOUT( :,:,: )\n\nC Parameters:\n INTEGER, PARAMETER :: CELL_RAD = 3 ! Radius for superposition tracers\n! INTEGER, PARAMETER :: COL_PEAK = 10 ! Location of center of peak for superposition tracers\n! INTEGER, PARAMETER :: ROW_PEAK = 10 ! Location of center of peak for superposition tracers\n REAL, PARAMETER :: CMAX = 50.0 ! Max tracer conc for superposition tracers\n REAL, PARAMETER :: CMIN = 50.0 ! Min tracer conc for superposition tracers\n\nC External Functions: None\n \nC Saved Local Variables:\n LOGICAL, SAVE :: LFIRST = .TRUE. ! Flag for first call\n REAL, SAVE, ALLOCATABLE :: SHAPE( :,: ) ! Shape factor for superposition tracers\n\nC Local Variables:\n CHARACTER( 16 ) :: PNAME = 'TRAC_IC' ! Procedure name\n CHARACTER( 80 ) :: MSG ! Log message\n\n INTEGER COL_PEAK ! Location of center of peak for superposition tracers\n INTEGER ROW_PEAK ! Location of center of peak for superposition tracers\n\n INTEGER C, R, L ! Grid loop indices\n INTEGER ALLOCSTAT ! Status returned from array allocation\n\n REAL DISTSQ ! Distance squared for for superposition tracers\n REAL RADSQ ! Hill radius squared for superposition tracers\n REAL XDIST ! x-distance for for superposition tracers\n REAL YDIST ! y-distance for for superposition tracers\n \nC***********************************************************************\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Compute shape factors for superposition tracers on first call\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( LFIRST ) THEN \n LFIRST = .FALSE.\n\n ALLOCATE( SHAPE( NCOLS,NROWS ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n MSG = 'Failure allocating SHAPE'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n DO R = 1, NROWS\n DO C = 1, NCOLS\n SHAPE( C,R ) = 0.0\n END DO\n END DO\n \n RADSQ = FLOAT( CELL_RAD ) ** 2\n\n COL_PEAK = NCOLS / 2\n ROW_PEAK = NROWS / 2\n\n DO R = 1, NROWS\n YDIST = ABS( FLOAT( R - ROW_PEAK ) )\n DO C = 1, NCOLS\n XDIST = ABS( FLOAT( C - COL_PEAK ) )\n DISTSQ = XDIST * XDIST + YDIST * YDIST + RADSQ\n SHAPE( C,R ) = RADSQ / DISTSQ\n END DO\n END DO\n\n END IF ! LFIRST\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Compute the ICs\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF ( TRNAME .EQ. TRAC_NAME( 1 ) ) THEN ! UN_IC1_BC0\n\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n TCOUT( C,R,L ) = 1.0\n END DO\n END DO\n END DO\n\n ELSE IF ( TRNAME .EQ. TRAC_NAME( 2 ) ) THEN ! UN_IC1_BC1\n\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n TCOUT( C,R,L ) = 1.0\n END DO\n END DO\n END DO\n\n ELSE IF ( TRNAME .EQ. TRAC_NAME( 3 ) ) THEN ! UN_IC0_BC1\n\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n TCOUT( C,R,L ) = 0.0\n END DO\n END DO\n END DO\n\n ELSE IF ( TRNAME .EQ. TRAC_NAME( 4 ) ) THEN ! STREET\n\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n IF ( MOD( C, 2 ) .EQ. 0 .AND. MOD( R, 2 ) .EQ. 0 ) THEN\n TCOUT( C,R,L ) = 1.0\n ELSE\n TCOUT( C,R,L ) = 0.0\n END IF\n END DO\n END DO\n END DO\n\n ELSE IF ( TRNAME .EQ. TRAC_NAME( 5 ) ) THEN ! CHECKERBOARD\n\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n IF ( MOD( C, 2 ) .EQ. MOD( R, 2 ) ) THEN\n TCOUT( C,R,L ) = 1.0\n ELSE\n TCOUT( C,R,L ) = 0.0\n END IF\n END DO\n END DO\n END DO\n\n ELSE IF ( TRNAME .EQ. TRAC_NAME( 6 ) ) THEN ! SPOS_SIG_A\n\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n TCOUT( C,R,L ) = 1.0 * CMAX * ( 1.0 + SHAPE( C,R ) ) + CMIN\n END DO\n END DO\n END DO\n\n ELSE IF ( TRNAME .EQ. TRAC_NAME( 7 ) ) THEN ! SPOS_SIG_B\n\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n TCOUT( C,R,L ) = 2.0 * CMAX * ( 1.0 + SHAPE( C,R ) ) - CMIN\n END DO\n END DO\n END DO\n\n ELSE IF ( TRNAME .EQ. TRAC_NAME( 8 ) ) THEN ! SPOS_SIG_C\n\n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n TCOUT( C,R,L ) = - 1.0 * CMAX * ( 1.0 + SHAPE( C,R ) ) + 2.0 * CMIN\n END DO\n END DO\n END DO\n\n END IF\n\n RETURN\n\n END\n" }, { "path": "PREP/mcip/README.md", "content": "# Meteorology-Chemistry Interface Processor (MCIP)\n\nThe Meteorology-Chemistry Interface Processor (MCIP) ingests output from the [Weather Research and Forecasting (WRF) Model](http://www.wrf-model.org) to prepare the meteorology files that are used within the CMAQ Modeling System. Where possible, MCIP uses data directly from the meteorological model to maximize consistency with the CMAQ Modeling System. When specific atmospheric fields are not explicitly output by WRF, MCIP uses scientific algorithms to create those fields for CMAQ. MCIP output is used by the emissions model (for example, to provide time-varying temperatures for mobile emissions) and by the CCTM to define the atmospheric conditions. A scientific overview of MCIP is in [Otte and Pleim (2010)](https://www.geosci-model-dev.net/3/243/2010/).\n\nMCIP performs the following functions using the output (history) file from WRF:\n\n- Defines the computational domain for the CCTM. The CCTM typically uses a smaller computational domain than the meteorological model, and the lateral boundary cells from the meteorological model generally are not used by CCTM.\n\n- Extracts meteorological model output on the computational domain that is prescribed for the CCTM.\n\n- Processes all required meteorological fields for the emissions model and the CCTM. Meteorological fields such as atmospheric temperature, pressure, humidity, and winds are acquired directly from the meteorological model (i.e., \"passed through\").\n\n- Uses the available meteorological fields to compute additional fields that are required by the CCTM but are not part of the meteorological model's output stream, such as the Jacobian which is used for coordinate transformations.\n\n- Outputs files that contain meteorological and geospatial information used by the emissions model and the CCTM. The output can be either in I/O API or netCDF.\n\nMCIP is written in FORTRAN, and it runs on a single processor in a Unix/Linux environment. MCIP is driven by a C-shell script with several run-time options that are defined through a FORTRAN namelist. It is typical to use MCIP to process hourly output fields from the meteorological model for each one-day period.\n\nMCIP is often updated concurrently with the CCTM. The changes to MCIP are documented with each update to the software, and a \"Frequently Asked Questions\" (FAQ) file exists that is specific to MCIP.\n\nAs of MCIPv5.0, WRF is the only meteorological model that can be processed with MCIP, but MCIP could be expanded to process data from other meteorological models.\n\nMCIP can be used to determine the spatial region that is processed by CMAQ. MCIP can process the full meteorological modeling domain, uniformly trim cells from that domain, or \"window\" a rectilinear subset of that domain. Configuration options for MCIP include the time periods over which to extract data from the meteorological model output files, horizontal and vertical grid definitions, and selections for integrating satellite cloud observations into MCIP output.\n\n## Files, configuration, and environment variables\n\nAll MCIP configurations are established at run-time (rather than at compile time) via Fortran namelist variables rather than environment variables, which is a distinction from the rest of the CMAQ programs. The user does not need to directly edit the MCIP namelist file. All configuration settings are contained in the MCIP run script (run_mcip.csh), which automatically creates a new namelist file each time the script is executed. The MCIP input files are listed in Table 1, and the MCIP output files are listed in Table 2.\n\n\n## Compilation Configuration\n\nAll model configuration options for MCIP are set during execution. System compiler options must be set in the provided Linux Makefile to build the program for different operating system/compiler combinations. Example compiler paths, flags, and library locations are provided in the default Makefile.\n\n\n## Execution Configuration Variables\n\nThe variables listed here are set by the user in the MCIP script (run_mcip.csh), and they are used during execution of the program.\n\n- `APPL [default: None]` \n Application name; scenario ID for file naming\n- `CoordName [default: None]` \n Coordinate system name of the MCIP output grid that is written to the GRIDDESC file. Additional information about the parameters in the GRIDDESC file can be found in the [I/O API Documentation](https://www.cmascenter.org/ioapi/documentation/all_versions/html/GRIDDESC.html).\n- `GridName [default: None]` \n Model grid name of the MCIP output grid that is written to the GRIDDESC file. \n- `DataPath [default: $CMAQ_DATA]` \n Input/output data directory path\n- `InMetDir [default: None]` \n Path of the input data directory containing the WRF‑ARW output data files\n- `InGeoDir [default: None]` \n Path of the input data directory containing the WRF Geogrid file\n- `OutDir [default: $CMAQ_HOME/data/mcip]` \n Path of the MCIP output data directory\n- `ProgDir [default: $CMAQ_HOME/PREP/mcip/src]` \n Working directory containing the MCIP executable\n- `WorkDir [default: $OutDir]` \n Temporary working directory for Fortran links and the namelist file\n- `InMetFiles [default: None]` \n List of input meteorology files, including the directory path for each file; without modifying MCIP, up to 300 meteorological model output files are allowed as input to a single MCIP execution\n- `IfGeo [default: F]` \n Binary flag indicating the availability of an input WRF Geogrid file; options include T (true) or F (false)\n- `InGeoFile [default: None]` \n Name and location of input WRF Geogrid file\n- `LPV: [default: 0]` \n Compute and output potential vorticity. This must be activated to support the [CCTM O3 potential vorticity scaling](../../CCTM/docs/ReleaseNotes/Potential_Vorticity_Scaling.md).\n - `0`: Do not compute and output potential vorticity\n - `1`: Compute and output potential vorticity\n- `LWOUT [default: 0]` \n Output vertical velocities.\n - `0`: Do not output vertical velocity\n - `1`: Output vertical velocity\n- `LUVBOUT [default: 0]` \n Output u- and v-component winds on B staggered grid.\n - `0`: Do not output u- and v-component winds on B-grid\n - `1`: Output u- and v-component winds on B-grid (in addition to the C-grid)\n- `MCIP_START [format: YYYY-MM-DD-HH:MM:SS.SSSS]` \n Beginning date and time (UTC) of data to output from MCIP. The start date and time must be contained within the input data from WRF.\n- `MCIP_END [format: YYYY-MM-DD-HH:MM:SS.SSSS]` \n End date and time (UTC) of data to output from MCIP. The end date and time must be contained within the input data from WRF.\n- `INTVL [default: 60]` \n Output interval in minutes. This setting determines the amount of model time contained in each output time step. The output interval for MCIP can be less frequent than the incoming meteorological model output (e.g., process 30-minute data for CCTM from 15-minute WRF output).\n- `MKGRID [default: T]` \n Determines whether to output static (GRID) meteorology files\n- `IOFORM [default: 1]` \n Choose output format.\n - `1`: Models-3 I/O API\n - `2`: netCDF\n- `BTRIM [default: 5]` \n The number of boundary points to remove on each of the four horizontal sides of the meteorology output to define the MCIP output domain. Setting BTRIM = 0 will specify the maximum extent of the input meteorology domain. To remove the WRF lateral boundaries, set BTRIM = 5 (recommended).\n This setting affects the output MCIP horizontal domain by reducing the input meteorology domain by 2*BTRIM + 2*NTHIK + 1, where NTHIK is the lateral boundary thickness (from the BDY files). The extra point reflects the conversion from the grid points (dot points) to grid cells (cross points).\n To crop a subset of the input meteorology (\"window\"), set BTRIM = -1; this setting causes BTRIM to be replaced by the information provided by X0, Y0, NCOLS, and NROWS (see below).\n- `X0 [used only if BTRIM = -1]` \n The *x*-coordinate of the lower-left corner of the full MCIP cross-point domain (including the MCIP lateral boundary) based on the input WRF‑ARW domain. X0 refers to the east-west direction.\n- `Y0 [used only if BTRIM = -1]` \n The *y*-coordinate of the lower-left corner of the full MCIP cross-point domain (including the MCIP lateral boundary) based on the input WRF‑ARW domain. Y0 refers to the north-south direction.\n- `NCOLS [used only if BTRIM = -1]` \n Number of columns in the output MCIP domain (excluding MCIP lateral boundaries)\n- `NROWS [used only if BTRIM = -1]` \n Number of rows in the output MCIP domain (excluding MCIP lateral boundaries)\n- `LPRT_COL [default: 0]` \n Column cell coordinate for diagnostic outputs on the MCIP modeling domain\n- `LPRT_ROW [default: 0]` \n Row cell coordinate for diagnostic outputs on the MCIP modeling domain\n- `WRF_LC_REF_LAT [optional; used only for Lambert conformal projections; default: -999.0]` \n WRF Lambert Conformal reference latitude. Use this setting to force the reference latitude in the output MCIP data. If not set, MCIP will use the average of the two true latitudes.\n\n\n## Compiling and Running\n\n**Compile MCIP**\n\nMCIP is compiled with a Makefile. The configuration options in the Makefile include the compiler and compiler flags to use for building the executable. Note that MCIP is not a parallelized code, so parallel versions of netCDF and I/O API are not required. The Makefile is located in the directory with the MCIP source code (`$CMAQ_HOME/PREP/mcip/src`). To compile MCIP, source the config_cmaq.csh file and invoke the Makefile at the command line:\n\n```\ncd $CMAQ_HOME/PREP/mcip/src/\nsource $CMAQ_HOME/config_cmaq.csh\n./make |& tee make.mcip.log\n```\n\nTo port MCIP to different compilers, change the compiler names, locations, and flags in the config_cmaq.csh script.\n\n**Run MCIP**\n\nSet the run script settings according to the execution configuration variables described above. Run MCIP to produce meteorology input data for the CCTM:\n\n```\ncd $CMAQ_HOME/PREP/mcip/scripts\n./run_mcip.csh |& tee run_mcip.log\n```\n\n\n**Table 1. MCIP input files**\n\n|**File Name**|**Format**|**Description**|**Required**|\n|------------|------------------------------|-----------------------------------------------------|---------------------|\n|InMetFiles|netCDF (WRF)|List of WRF output files for input to MCIP|required|\n|InGeoFile|netCDF (WRF)|Output from WRF Geogrid processor|optional; only required if fractional land use are not part of the WRF output|\n\n\n**Table 2. MCIP output files**\n\n|**File Name**|**Format**|**Description**|**Required**|\n|--------------------|-----------------|------------------------------------------------------------------|---------------------------|\n|GRIDDESC|ASCII|Grid description file with coordinate and grid definition information|required|\n|GRID_BDY_2D|I/O API|Time-independent 2-D boundary meteorology file|required|\n|GRID_CRO_2D|I/O API|Time-independent 2-D cross-point meteorology file|required|\n|GRID_CRO_3D|I/O API|Time-independent 3-D cross-point meteorology file|required|\n|GRID_DOT_2D|I/O API|Time-independent 2-D dot-point meteorology file|required|\n|LUFRAC_CRO|I/O API|Time-independent fractional land use by category|created if fractional land use was provided in WRF's output or in Geogrid output|\n|MET_BDY_3D|I/O API|Time-varying 3-D boundary meteorology file|required|\n|MET_CRO_2D|I/O API|Time-varying 2-D cross-point meteorology file|required|\n|MET_CRO_3D|I/O API|Time-varying 3-D cross-point meteorology file|required|\n|MET_DOT_3D|I/O API|Time-varying 3-D dot-point meteorology file|required|\n|MOSAIC_CRO|I/O API|Time-varying 3-D output from mosaic land use|created if the Noah Mosaic land-surface model was run in WRF|\n|SOI_CRO|I/O API|Time-varying soil properties in each soil layer|created if a land-surface model was run in WRF|\n|mcip.nc|netCDF|contains both time-independent and time-varying output variables that contain 2-D layers (either only in 2-D or in 3-D, where the third dimension could be atmospheric layers, soil layers, land use categories, mosaic categories, etc.)|required, if IOFORM=2|\n|mcip_bdy.nc|netCDF|contains time-independent and time-varying output along the domain perimeter|required, if IOFORM=2| \n\nThe default location of the MCIP output files is the `$CMAQ_HOME/data/mcip/$GridName` directory, but it can be changed in the MCIP script using the `$OutDir` variable. The names of the MCIP output files are generic and do not have any information about the model grid that they are simulating or the time period that is covered. These attributes can be controlled by the MCIP script. For example, the name of the grid can be used in the output directory path. In addition, the default naming convention for all MCIP output files appends the `APPL` environment variable to the file name to identify files by the time period that is represented by the file. All of the file naming variables for the MCIP outputs are set in the run script, and they can be easily tailored to fit each user's application or style.\n\n**Previous Versions of MCIP**\n\nMCIPv4.3 and MCIPv4.2 were released via the CMASCenter MCIP GitHub repository. Beginning with version 4.5, MCIP is released as part of the CMAQ repository. The MCIP version and CMAQ version are aligned beginning with version 5.3.3. \n* [MCIPv5.4 (October 2022)](https://github.com/USEPA/CMAQ/blob/5.4/PREP/mcip/docs/ReleaseNotes) - bundled under CMAQv5.4\n* [MCIPv5.3.3 (August 2021)](https://github.com/USEPA/CMAQ/blob/5.3.3/PREP/mcip/docs/ReleaseNotes) - bundled under CMAQv5.3.3\n* [MCIPv5.1 (December 2019)](https://github.com/USEPA/CMAQ/blob/5.3.1/PREP/mcip/docs/ReleaseNotes) - bundled under CMAQv5.3.1\n* [MCIP v5.0 (August 2019)](https://github.com/USEPA/CMAQ/blob/5.3/PREP/mcip/docs/ReleaseNotes) - bundled under CMAQv5.3 \n* [MCIP v4.5 (October 2018)](https://github.com/USEPA/CMAQ/blob/CMAQv5.3.b2_19Oct2018/PREP/mcip/docs/ReleaseNotes) - bundled under CMAQv5.3beta2 \n* [MCIP v4.3 (November 2015)](https://github.com/CMASCenter/MCIP/tree/4.3) - available on CMASCenter GitHub repository\n* [MCIP v4.2 (December 2013)](https://github.com/CMASCenter/MCIP/tree/4.2) - available on CMASCenter GitHub repository\n" }, { "path": "PREP/mcip/docs/CHANGES", "content": "CHANGES for MCIP\n\n\nMCIP Version 5.5 (19 September 2024)\n\n- Changed constraint on XORIG and YORIG for Lambert conformal projections\n with user-specified runtime reference latitude. Original constraint of\n 500 meters introduced an error in calculating the location of the\n lower-left corner (i.e., XORIG and YORIG) in domains with a horizontal\n grid spacing that is not a multiple of 1 km. Now using a constraint of\n 5 meters to allow for \"neater\" XORIG and YORIG values across compilers.\n\n Changed files: PREP/mcip/src/setgriddefs.f90\n\n\n- Updated WRF option translation for the MCIP metadata for new physics\n introduced between WRFv4.1 and WRFv4.6.\n\n Changed files: PREP/mcip/src/wrfemopts.f90\n\n\n- Removed redundant NF90_OPEN/NF90_CLOSE couplet to improve efficiency.\n\n Changed files: PREP/mcip/src/rdwrfem.f90\n\n\n- Updated version stamp.\n\n Changed files: PREP/mcip/src/mcipparm_mod.f90\n\n--------------------------------------------------------------------------------\n\nMCIP Version 5.4 (12 July 2022)\n\n- Updated version stamp.\n\n Changed files: PREP/mcip/src/mcipparm_mod.f90\n\n--------------------------------------------------------------------------------\n\nMCIP Version 5.3.3 (30 June 2021)\n\n- Removed reliance on reading F (Coriolis parameter) from WRF output for\n PV scaling in CMAQ. Instead, calculate F from latitude.\n\n Changed files: mcip5/rdwrfem.f90\n\n\n- Corrected error in logic for processing meteorology data at a time interval\n that is coarser than the available data in the file.\n\n Changed files: mcip5/setgriddefs.f90\n\n\n- Updated description and units for potential vorticity to adhere to\n constraints on character field in I/O API. Note that units do not conform\n to MKS, but full explanation is given in the description field.\n\n Changed files: mcip5/init_ctm.f90\n\n\n- Corrected minor bug in assigning bounds for XCLAY_PX, as identified in\n CMAS Center Forum.\n\n Changed files: mcip5/metvars2ctm.f90\n\n\n- Changed write statement for MCIP-generated GRIDDESC files to accommodate\n domains with more than 999 grid cells on a side.\n\n Changes files: mcip5/wrgdesc.f90\n\n\n- Updated Makefile to reflect newer options for PGI.\n\n Changed files: mcip5/Makefile\n\n\n- Updated version stamp. With this release, the versioning for MCIP will\n become consistent with the CMAQ system. The version skips from MCIPv5.1\n to MCIPv5.3.3. (There is no MCIPv5.2 or MCIPv5.3.)\n\n Changed files: mcip5/mcipparm_mod.f90\n\n--------------------------------------------------------------------------------\n\nMCIP Version 5.1 (25 November 2019)\n\n- Expanded options to allow for surface analysis nudging option 2 (FASDAS),\n which has been available since WRFv3.8.\n\n Changed files: mcip5/blddesc.f90\n mcip5/setup_wrfem.f90\n\n\n- Corrected setting for namelist variable file_geo in namelist generation\n part of the script.\n\n Changed files: mcip5/run_mcip.csh\n\n\n- Corrected error in setting the 3D fractional cloud coverage on one of the\n lateral boundaries.\n\n Changed files: mcip5/ctmproc.f90\n\n\n- Updated release stamp.\n\n Changed files: mcip5/mcipparm_mod.f90\n\n--------------------------------------------------------------------------------\n\nMCIP Version 5.0 (19 June 2019)\n\n- Updated units of output fields to conform to CF compliance. These units\n were formerly set in gridout.f90, groutcom_mod.f90, luoutcom_mod.f90,\n mcoutcom_mod.f90, mdoutcom_mod.f90, metcro.f90, mosoutcom_mod.f90, and\n soioutcom_mod.f90. They are now all contained in a new routine.\n\n New file: mcip5/init_ctm.f90\n\n\n- Renamed module with land use categories to avoid confusion.\n\n Changed file: mcip5/getluse.f90\n\n New file: mcip5/lucats_mod.f90\n\n Deleted file: mcip5/luvars_mod.f90\n\n\n- Renamed module with netCDF IO routines to broaden usage beyond WRF.\n\n Changed file: mcip5/rdwrfem.f90\n mcip5/setup_wrfem.f90\n\n New file: mcip5/netcdf_io_mod.f90\n\n Deleted file: mcip5/wrf_netcdf_mod.f90\n\n\n- Combined elements of MCIP output fields from several modules into a single\n Fortran module.\n\n Changed files: mcip5/alloc_ctm.f90\n mcip5/dealloc_ctm.f90\n mcip5/gridout.f90\n mcip5/lucro.f90\n mcip5/metcro.f90\n mcip5/metdot.f90\n mcip5/moscro.f90\n mcip5/soilcro.f90\n\n New file: mcip5/ctmvars_mod.f90\n\n Deleted files: mcip5/groutcom_mod.f90\n mcip5/luoutcom_mod.f90\n mcip5/mcoutcom_mod.f90\n mcip5/mdoutcom_mod.f90\n mcip5/mosoutcom_mod.f90\n mcip5/soioutcom_mod.f90\n\n\n- Created a missing value token for MCIP.\n\n Changed files: mcip5/gridout.f90\n mcip5/init_x.f90\n mcip5/mcipparm_mod.f90\n mcip5/metcro.f90\n mcip5/metvars2ctm.f90\n mcip5/pblsup.f90\n mcip5/resistcalc.f90\n mcip5/setup_wrfem.f90\n\n\n- Changed internal data formats for output variables to use data structures.\n\n Changed files: mcip5/alloc_ctm.f90\n mcip5/ctmvars_mod.f90\n mcip5/dealloc_ctm.f90\n mcip5/gridout.f90\n mcip5/init_ctm.f90\n mcip5/lucro.f90\n mcip5/mcipparm_mod.f90\n mcip5/metcro.f90\n mcip5/metdot.f90\n mcip5/moscro.f90\n mcip5/soicro.f90\n\n\n- Corrected bug in setting land use category names in MCIP for USGS24 + lakes.\n\n Changed files: mcip5/getluse.f90\n mcip5/lucats_mod.f90\n\n\n- Enabled hybrid option for vertical coordinate in WRF. Was already coded, but\n was commented out. Changed condition to enable processing for the hybrid\n vertical coordinate.\n\n Changed files: mcip5/alloc_met.f90\n mcip5/alloc_x.f90\n mcip5/init_met.f90\n mcip5/init_x.f90\n mcip5/metvars2ctm.f90\n mcip5/rdwrfem.f90\n\n\n- Removed support for MM5v3 input.\n\n Changed files: mcip5/alloc_ctm.f90\n mcip5/alloc_met.f90\n mcip5/alloc_x.f90\n mcip5/blddesc.f90\n mcip5/dealloc_ctm.f90\n mcip5/dealloc_met.f90\n mcip5/dealloc_x.f90\n mcip5/files_mod.f90\n mcip5/getmet.f90\n mcip5/gridout.f90\n mcip5/groutcom_mod.f90\n mcip5/init_met.f90\n mcip5/init_x.f90\n mcip5/metcro.f90\n mcip5/metinfo_mod.f90\n mcip5/metvars_mod.f90\n mcip5/metvars2ctm.f90\n mcip5/mcip.f90\n mcip5/pblsup.f90\n mcip5/rdwrfem.f90\n mcip5/readnml.f90\n mcip5/setgriddefs.f90\n mcip5/setup.f90\n mcip5/setup_wrfem.f90\n mcip5/statflds.f90\n mcip5/xvars_mod.f90\n mcip5/Makefile\n mcip5/run_mcip.csh\n\n Deleted files: mcip5/cori.f90\n mcip5/getgist.f90\n mcip5/getversion.f90\n mcip5/mm5v3opts.f90\n mcip5/rdmm5v3.f90\n mcip5/refstate.f90\n mcip5/sat2mcip_mod.f90\n mcip5/setup_mm5v3.f90\n mcip5/readter.f90\n mcip5/vertnhy.f90\n\n\n- Changed fill value for convective rainfall when \"no cumulus parameterization\"\n was used from -1 to a large negative number to prevent inadvertent use in\n CCTM and post-processing.\n\n Changed files: mcip5/metvars2ctm.f90\n\n\n- Corrected error in computing precipitation amounts when the tipping bucket\n is used and less than 0.5 mm of precipitation accumulated during the same\n hour that the bucket tips; corrects erroneous precipitation spikes.\n Corrected error in array mapping for precipitation on initial time step in\n the outermost row and column (dummy cells not used by CMAQ).\n\n Changed files: mcip5/rdwrfem.f90\n\n\n- Allowed WRFv4.0+ input to be used.\n\n Changed file: mcip5/setup.f90\n\n\n- Modified criteria to determine whether incremental precipitation is available\n in WRF output. WRFv4.0 allows header variable PREC_ACC_DT to appear even\n if the accompanying precipitation fields are not in the output.\n\n Changed file: mcip5/setup_wrfem.f90\n\n\n- Moved parsing and processing of output fields on the CCTM grid to routines\n separated from the output functions.\n\n Changed files: mcip5/Makefile\n mcip5/gridout.f90\n mcip5/mcip.f90\n\n Deleted files: mcip5/lucro.f90\n mcip5/metcro.f90\n mcip5/metdot.f90\n mcip5/moscro.f90\n mcip5/soilcro.f90\n\n New files: mcip5/ctmproc.f90\n mcip5/gridproc.f90\n mcip5/ctmout.f90\n mcip5/outcm3io.f90\n mcip5/outgm3io.f90\n mcip5/outncf.f90\n mcip5/outncfglobal.f90\n\n\n- Added flag (IFRCURB) to determine if fraction of urban area is obtained from\n an urban canopy model in WRF.\n\n Changed files: mcip5/gridproc.f90\n mcip5/mcipparm_mod.f90\n mcip5/setup_wrfem.f90\n\n\n- Added runtime option to choose output format.\n\n Changed files: mcip5/Makefile\n mcip5/close_files.f90\n mcip5/ctmout.f90\n mcip5/files_mod.f90\n mcip5/gridout.f90\n mcip5/mcipparm_mod.f90\n mcip5/readnml.f90\n\n New files: mcip5/outcm3io.f90\n mcip5/outgm3io.f90\n mcip5/outglog.f90\n mcip5/outclog.f90\n mcip5/outncf.f90\n mcip5/outncfglobal.f90\n\n\n- Updated to identify physics options from WRFv4.0 and WRFv4.1.\n\n Changed file: mcip5/wrfemopts.f90\n\n\n- Removed layer collapsing.\n\n Changed files: mcip5/ctmproc.f90\n mcip5/mcipparm_mod.f90\n mcip5/readnml.f90\n mcip5/setup_wrfem.f90\n mcip5/Makefile\n mcip5/run_mcip.csh\n\n Deleted files: mcip5/collapx.f90\n\n\n- Updated metadata descriptions for JACOBF, JACOBM, DENSA_J, and WWIND.\n\n Changed files: mcip5/init_ctm.f90\n\n\n- Added 7 new 2D variables to the output if the Pleim-Xiu land-surface model\n is run in WRFv4.1. These variables can be used to improve simulation of dust\n in CCTM. LAI_PX replaces LAI in the output, and the following 6 variables\n are added: WSAT_PX, WFC_PX, WWLT_PX, CSAND_PX, FMSAND_PX, and CLAY_PX.\n\n Added 4 optional 3D variables with Kain-Fritsch convective parameterization\n scheme with radiative feedbacks on. These variables can enhance cloud\n representation in CCTM. The variables include: QC_CU, QI_CU, CLDFRA_DP, and\n CLDFRA_SH.\n\n Changed files: mcip5/alloc_ctm.f90\n mcip5/alloc_met.f90\n mcip5/alloc_x.f90\n mcip5/ctmproc.f90\n mcip5/ctmvars_mod.f90\n mcip5/dealloc_ctm.f90\n mcip5/dealloc_met.f90\n mcip5/dealloc_x.f90\n mcip5/init_ctm.f90\n mcip5/init_met.f90\n mcip5/init_x.f90\n mcip5/mcipparm_mod.f90\n mcip5/metvars2ctm.f90\n mcip5/metvars_mod.f90\n mcip5/outcm3io.f90\n mcip5/rdwrfem.f90\n mcip5/setup_wrfem.f90\n mcip5/setgriddefs.f90\n mcip5/xvars_mod.f90\n\n\n- Modified calculations of the total Jacobian (Jacobian divided by the square\n of the map scale factors) to eliminate unnecessary multiplication and division\n by density.\n\n Changed files: mcip5/ctmproc.f90\n\n\n- Commensurate with removing support for MM5, changed default 3D winds output\n to be on the Arakawa-C staggering (like CCTM) instead of on the Arakawa-B\n staggering. In METDOT3D, now the default output will be UWINDC and VWINDC\n instead of UWIND and VWIND. Instead of allowing UWINDC and VWINDC to be\n optional via the runtime switch, LUVCOUT, the runtime switch is renamed\n LUVBOUT, and the optional variables are UWIND and VWIND. The switch remains\n \"on\" by default.\n\n Changed files: mcip5/alloc_ctm.f90\n mcip5/ctmproc.f90\n mcip5/init_ctm.f90\n mcip5/mcipparm_mod.f90\n mcip5/readnml.f90\n mcip5/setgriddefs.f90\n mcip5/run_mcip.csh\n\n\n- Updated release stamp.\n\n Changed files: mcip4/mcipparm_mod.f90\n\n--------------------------------------------------------------------------------\n\nMCIP Version 4.5 (16 March 2018)\n\n- Corrected error in calculation of dot-point latitude and longitude for polar\n steroegraphic WRF.\n\n Changed files: mcip4/rdwrfem.f90\n\n\n- Refined calculation of interval between WRF output times to account for\n small drifts when advection time steps do not fall exactly on the hour.\n\n Changed files: mcip4/mcipparm_mod.f90\n mcip4/rdwrfem.f90\n mcip4/setgriddefs.f90\n\n\n- Corrected error in print statement for CLDFRA in the log file.\n\n Changed files: mcip4/rdwrfem.f90\n\n\n- Corrected error in print statement and comment for Monin-Obukhov length from\n the Pleim-Xiu land-surface model in WRF. Print statement and comment\n erroneously attributed MOL to ACM2 PBL scheme.\n\n Changed files: mcip4/pblsup.f90\n mcip4/setgriddefs.f90\n\n\n- Updated options for compiling with Intel Fortran by eliminating the need for\n the IMF library. Reversed the order of loading netcdff and netcdf so\n the netCDF Fortran library is loaded first for all compilers.\n\n Changed files: mcip4/Makefile\n\n\n- Added snow height (SNOWH) to METCRO2D output.\n\n Changed files: mcip4/alloc_ctm.f90\n mcip4/alloc_met.f90\n mcip4/alloc_x.f90\n mcip4/dealloc_ctm.f90\n mcip4/dealloc_met.f90\n mcip4/dealloc_x.f90\n mcip4/init_met.f90\n mcip4/init_x.f90\n mcip4/mcoutcom_mod.f90\n mcip4/metcro.f90\n mcip4/metvars_mod.f90\n mcip4/metvars2ctm.f90\n mcip4/rdwrfem.f90\n mcip4/xvars_mod.f90\n\n\n- Changed initial value for MET_PCP_INCR from real to integer to align with\n type specified for the variable.\n\n Changed files: mcip4/setup_mm5v3.f90\n\n\n- Removed unused variables.\n\n Changed files: mcip4/sat2mcip_mod.f90\n\n\n- Added capability to properly process PURB when the 21-category MODIS land use\n is used in WRF. Corrected an internal list for the 21-category MODIS for\n the lake category.\n\n Changed files: mcip4/getluse.f90\n mcip4/luvars_mod.f90\n\n\n- Created a minumum value for rainfall in order to avoid underflow condition.\n\n Changed files: mcip4/rdwrfem.f90\n\n\n- Removed superfluous variables METROW and METCOL.\n\n Changed files: mcip4/mcipparm_mod.f90\n mcip4/sat2mcip_mod.f90\n mcip4/setgriddefs.f90\n\n\n- Added support for hybrid vertical coordinate in WRF output.\n Disabled the effects on the Jacobian pending additional testing and\n modifications within CMAQ.\n\n Changed files: mcip4/alloc_met.f90\n mcip4/alloc_x.f90\n mcip4/dealloc_met.f90\n mcip4/dealloc_x.f90\n mcip4/init_met.f90\n mcip4/init_x.f90\n mcip4/metvars_mod.f90\n mcip4/metvars2ctm.f90\n mcip4/rdwrfem.f90\n mcip4/setup_wrfem.f90\n mcip4/xvars_mod.f90\n\n\n- Added coefficient for spectral nudging of moisture to metadata.\n\n Changed file: mcip4/blddesc.f90\n\n\n- Changed print statement preceding the printing of metadata in the log file.\n\n Changed file: mcip4/mcip.f90\n\n\n- Added capability to read and process data from the NOAH Mosaic land-surface\n model in WRF via MCIP.\n\n Changed files: mcip4/alloc_ctm.f90\n mcip4/alloc_met.f90\n mcip4/alloc_x.f90\n mcip4/dealloc_ctm.f90\n mcip4/dealloc_met.f90\n mcip4/dealloc_x.f90\n mcip4/getluse.f90\n mcip4/files_mod.f90\n mcip4/init_met.f90\n mcip4/init_x.f90\n mcip4/mcip.f90\n mcip4/mcipparm_mod.f90\n mcip4/metgrid2ctm.f90\n mcip4/metvars_mod.f90\n mcip4/metvars2ctm.f90\n mcip4/pblsup.f90\n mcip4/rdwrfem.f90\n mcip4/run_mcip.csh\n mcip4/setgriddefs.f90\n mcip4/setup_mm5v3.f90\n mcip4/setup_wrfem.f90\n mcip4/wrf_netcdf_mod.f90\n mcip4/wrfemopts.f90\n mcip4/xvars_mod.f90\n\n New files: mcip4/comheader_mos.f90\n mcip4/getpsih.f90\n mcip4/moscro.f90\n mcip4/mosoutcom_mod.f90\n\n\n- Removed unnecessary variable MAXLUC and replaced it with existing variable\n NUMMETLU.\n\n Changed files: mcip4/alloc_x.f90\n mcip4/mcipparm_mod.f90\n\n\n- Created new M3 I/O API output file for data within soil layers.\n\n Changed files: mcip4/alloc_ctm.f90\n mcip4/alloc_met.f90\n mcip4/alloc_x.f90\n mcip4/comheader.f90\n mcip4/dealloc_ctm.f90\n mcip4/dealloc_met.f90\n mcip4/dealloc_x.f90\n mcip4/files_mod.f90\n mcip4/init_met.f90\n mcip4/init_x.f90\n mcip4/mcip.f90\n mcip4/metvars_mod.f90\n mcip4/metvars2ctm.f90\n mcip4/rdwrfem.f90\n mcip4/run_mcip.csh\n mcip4/xvars_mod.f90\n\n New files: mcip4/comheader_soi.f90\n mcip4/soicro.f90\n mcip4/soioutcom_mod.f90\n\n\n- Created new M3 I/O API output file for fractional land use data.\n\n Changed files: mcip4/alloc_ctm.f90\n mcip4/dealloc_ctm.f90\n mcip4/mcip.f90\n\n New files: mcip4/comheader_lufrac.f90\n mcip4/lucro.f90\n mcip4/luoutcom_mod.f90\n\n\n- Prevent MCIP from using meteorology initialization time period.\n\n Changed file: mcip4/setgriddefs.f90\n\n\n- Updated release stamp.\n\n Changed files: mcip4/mcipparm_mod.f90\n\n--------------------------------------------------------------------------------\n\nMCIP Version 4.4 (23 June 2017)\n\n- Changed name of run script to \"run_mcip.csh\" and changed names of MCIP output\n files referenced in the script to have the extension \".nc\" for consistency\n with other changes in the CMAQ system.\n\n New file: mcip4/run_mcip.csh\n\n Deleted file: mcip4/run.mcip\n\n\n- Made minor changes related to WRF implementation of MODIS land use with\n category 21 representing \"lake\".\n\n Changed files: mcip4/rdwrfem.f90\n mcip4/resistcalc.f90\n mcip4/setup_wrfem.f90\n\n\n- Corrected error in the calculation of 10-m wind speed from WRF simulations.\n Previous version inadvertently used longitude from center of the domain\n instead of the reference longitude for the projection. Should not affect\n CMAQ simulations because WDIR10 is not used.\n\n Changed files: mcip4/pblsup.f90\n\n\n- Refined coding to increase robustness under different compilers.\n\n Changed files: mcip4/gridout.f90\n\n\n- Changed reference to WRF variable for fraction of urban area from FRC_URB\n to FRC_URB2D to be consistent with its usage in WRF.\n\n Changed files: mcip4/rdwrfem.f90\n\n\n- Updated metadata for new physics options in WRFv3.8, WRFv3.8.1, and WRFv3.9.\n\n Changed files: mcip4/wrfemopts.f90\n\n\n- Now determine whether the hybrid vertical coordinate was used in WRF; the\n option is available as of WRFv3.9. Currently disable option to use MCIP\n and CMAQ with hybrid vertical coordinate until additional modifications\n and testing are performed.\n\n Changed files: mcip4/metinfo_mod.f90\n mcip4/setgriddefs.f90\n mcip4/setup_mm5v3.f90\n mcip4/setup_wrfem.f90\n\n\n- Updated release stamp.\n\n Changed files: mcip4/mcipparm_mod.f90\n\n--------------------------------------------------------------------------------\n\nMCIP Version 4.3 (6 November 2015)\n\n- Updated to accommodate optional lake category in WRF USGS and MODIS land use\n classifications. Moved definitions of land use indices from getluse.f90 to\n setup_wrfem.f90 and setup_mm5v3.f90 because indices for water, ice, lake, and\n urban are global variables in WRF output header.\n\n Changed files: mcip4/getluse.f90\n mcip4/setup_mm5v3.f90\n mcip4/setup_wrfem.f90\n\n\n- Corrected error-handling for format 9400 and in four places that of the code\n that would have still worked with the \"old\" error-handling format.\n\n Changed files: mcip4/rdwrfem.f90\n\n\n- Removed requirement that fractional land use field (FRC_URB) is part of\n WRF output when the urban canopy model is used.\n\n Changed files: mcip4/getluse.f90\n mcip4/gridout.f90\n mcip4/rdwrfem.f90\n\n\n- Added 3D cloud fraction to METCRO3D output. This field is only created when\n 3D cloud fraction from WRF is exclusively comprised of resolved cloud.\n\n Changed files: mcip4/alloc_ctm.f90\n mcip4/alloc_met.f90\n mcip4/alloc_x.f90\n mcip4/dealloc_ctm.f90\n mcip4/dealloc_met.f90\n mcip4/dealloc_x.f90\n mcip4/init_met.f90\n mcip4/init_x.f90\n mcip4/mcipparm_mod.f90\n mcip4/mcoutcom_mod.f90\n mcip4/metcro.f90\n mcip4/metvars_mod.f90\n mcip4/metvars2ctm.f90\n mcip4/rdwrfem.f90\n mcip4/setgriddefs.f90\n mcip4/setup_mm5v3.f90\n mcip4/setup_wrfem.f90\n mcip4/xvars_mod.f90\n\n\n- Updated metadata for new physics options in WRFv3.6, WRFv3.6.1, and WRFv3.7.\n\n Changed files: mcip4/wrfemopts.f90\n\n\n- Changed latent heat flux from QFX to LH to be consistent with variable name\n in WRF and WRF-CMAQ coupled model. Affects variable name in METCRO2D and\n all local variable names.\n\n Changed files: mcip4/alloc_ctm.f90\n mcip4/alloc_met.f90\n mcip4/alloc_x.f90\n mcip4/dealloc_ctm.f90\n mcip4/dealloc_met.f90\n mcip4/dealloc_x.f90\n mcip4/init_met.f90\n mcip4/init_x.f90\n mcip4/mcoutcom_mod.f90\n mcip4/metcro.f90\n mcip4/metvars_mod.f90\n mcip4/metvars2ctm.f90\n mcip4/pblsup.f90\n mcip4/rdmm5v3.f90\n mcip4/rdwrfem.f90\n mcip4/xvars_mod.f90\n\n\n- Recompute Monin-Obukhov length if PX is used in WRF because local MOL\n in ACM2 on the WRF time step is not actually passed to WRF output. Makes\n MOL usage in CMAQ consistent with other on-time-step calculations in WRF.\n This is done only when the Pleim-Xiu land-surface model is used in WRF.\n\n Changed files: mcip4/alloc_met.f90\n mcip4/alloc_x.f90\n mcip4/const_pbl_mod.f90\n mcip4/dealloc_met.f90\n mcip4/dealloc_x.f90\n mcip4/init_met.f90\n mcip4/init_x.f90\n mcip4/mcipparm_mod.f90\n mcip4/metvars_mod.f90\n mcip4/metvars2ctm.f90\n mcip4/pblsup.f90\n mcip4/rdwrfem.f90\n mcip4/setgriddefs.f90\n mcip4/setup_mm5v3.f90\n mcip4/setup_wrfem.f90\n mcip4/xvars_mod.f90\n\n\n- When Pleim-Xiu land-surface model is used in WRF, realign soil categories\n so they match WRF documentation and for consistency when used in the dust\n and bidi models in CMAQ. (This function has been commented out in MCIPv4.3,\n and is reserved for future use.)\n\n Changed files: mcip4/Makefile\n mcip4/rdwrfem.f90\n\n New file: mcip4/detangle_soil_px.f90\n\n\n- Changed IF/THEN conditional to remove segmentation fault triggered by some\n Fortran compilers.\n\n Changed file: mcip4/getluse.f90\n\n\n- Changed WRITE statements for printing sampled data to log file to eliminate\n warning messages.\n\n Changed files: mcip4/metcro.f90\n mcip4/metdot.f90\n mcip4/rdwrfem.f90\n\n\n- Updated suite of debug options associated with various compilers.\n\n Changed file: mcip4/Makefile\n\n\n- The following output variables in METCRO2D are now deprecated:\n\n cloud fraction (CFRAC)\n cloud top (CLDT)\n cloud bottom (CLDB)\n liquid water content (WBAR)\n\n The default CMAQ no longer uses these fields, and they will be removed\n from METCRO2D in the next release of MCIP.\n\n\n- Updated release stamp.\n\n Changed files: mcip4/mcipparm_mod.f90\n\n\n--------------------------------------------------------------------------------\n\nMCIP Version 4.2 (23 August 2013)\n\n- Increased maximum number of input files for MCIP in order to handle one\n year of daily output files at a time.\n\n Changed files: mcip4/files_mod.f90\n mcip4/run.mcip\n\n\n- Added option to process convective and non-convective precipitation if it\n is already incremental from WRF.\n\n Changed files: mcip4/metinfo_mod.f90\n mcip4/rdwrfem.f90\n mcip4/setup_mm5v3.f90\n mcip4/setup_wrfem.f90\n\n\n- Added handling for 40-category 2006 NLCD-MODIS land use classification as\n \"NLCD40\". Added alternate name for 50-category 2001 NLCD-MODIS land use\n classification as \"NLCD50\".\n\n Changed files: mcip4/getluse.f90\n mcip4/luvars_mod.f90\n mcip4/metvars2ctm.f90\n mcip4/rdwrfem.f90\n mcip4/resistcalc.f90\n mcip4/setup_wrfem.f90\n\n\n- Read land-water mask from WRF and use directly for WRF runs that used the\n Pleim-Xiu land-surface model (rather than reconstructing inside MCIP). For\n other LSMs in WRF, the land-water mask is dynamic and ice points toggle from\n water to land.\n\n Changed files: mcip4/alloc_met.f90\n mcip4/dealloc_met.f90\n mcip4/getluse.f90\n mcip4/init_met.f90\n mcip4/metvars_mod.f90\n mcip4/rdwrfem.f90\n\n\n- Updated metadata for new physics options in WRFv3.4.1 and WRFv3.5.\n\n Changed files: mcip4/wrfemopts.f90\n\n\n- Updated version stamp.\n\n Changed files: mcip4/mcipparm_mod.f90\n\n--------------------------------------------------------------------------------\n\nMCIP Version 4.1 (11 May 2012)\n\n- Updated code and made minor corrections to handle spectral nudging runs\n from WRF.\n\n Changed files: mcip4/blddesc.f90\n mcip4/metinfo_mod.f90\n mcip4/setup_wrfem.f90\n\n\n- Force 2-m water vapor mixing ratio from WRF with YSU PBL to be filled with\n layer 1 QVAPOR to avoid occasional Q2 < 0 in wintertime.\n\n Changed files: mcip4/setup_wrfem.f90\n\n\n- Corrected error in tipping bucket precipitation calculation.\n\n Changed files: mcip4/rdwrfem.f90\n\n\n- Added provision for calculating Monin-Obukhov length when the sensible heat\n flux is 0.\n\n Changed files: mcip4/pblsup.f90\n\n\n- Updated metadata for new physics options in WRFv3.4.\n\n Changed files: mcip4/wrfemopts.f90\n\n\n- Corrected alphabetization of files in Makefile.\n\n Changed files: mcip4/Makefile\n\n\n- Updated release stamp.\n\n Changed files: mcip4/mcipparm_mod.f90\n\n\n--------------------------------------------------------------------------------\n\nMCIP Version 4.0 (9 September 2011)\n\n- Removed option to compute dry deposition velocities in MCIP. Option is now\n exclusively available in CMAQ's CCTM.\n\n Changed files: mcip4/Makefile\n mcip4/dynflds.f90\n mcip4/mcip.f90\n mcip4/mcipparm_mod.f90\n mcip4/metcro.f90\n mcip4/readnml.f90\n mcip4/run.mcip\n mcip4/setgriddefs.f90\n\n Removed files: mcip4/alloc_depv.f90\n mcip4/dealloc_depv.f90\n mcip4/depvvars_mod.f90\n mcip4/hlconst.f90\n mcip4/init_depv.f90\n mcip4/m3dry.f90\n\n\n- Corrected error in calculating dot point map-scale factors for polar\n stereographic projections when true latitude is not at the pole.\n\n Changed files: mcip4/mapfac_ps.f90\n\n\n- Changed calculation of dot-point and face-point latitude and longitude\n for polar stereographic projection to interpolation to eliminate the\n error in the calculation. The approximation from interpolation is\n adequate for CMAQ.\n\n Changed files: mcip4/rdmm5v3.f90\n mcip4/rdwrfem.f90\n\n Removed file: mcip4/xy2ll_ps.f90\n\n\n- Improved support for long MCIP runs from long WRF runs.\n\n Changed files: mcip4/rdwrfem.f90\n mcip4/setup_wrfem.f90\n\n\n- Corrected error in propagating canopy wetness from WRF runs to MCIP\n output where scaling was over air density rather than water density.\n\n Changed files: mcip4/metvars2ctm.f90\n\n\n- Added sea ice to METCRO2D. Corrected land/water mask so that ice\n cells are considered water.\n\n Changed files: mcip4/alloc_ctm.f90\n mcip4/alloc_met.f90\n mcip4/alloc_x.f90\n mcip4/dealloc_ctm.f90\n mcip4/dealloc_met.f90\n mcip4/dealloc_x.f90\n mcip4/getluse.f90\n mcip4/init_met.f90\n mcip4/init_x.f90\n mcip4/mcipparm_mod.f90\n mcip4/mcoutcom_mod.f90\n mcip4/metcro.f90\n mcip4/metvars_mod.f90\n mcip4/metvars2ctm.f90\n mcip4/rdmm5v3.f90\n mcip4/rdwrfem.f90\n mcip4/xvars_mod.f90\n\n\n- Added option for precipitation tipping bucket to be used in WRF and\n processed correctly by MCIP.\n\n Changed files: mcip4/alloc_met.f90\n mcip4/dealloc_met.f90\n mcip4/init_met.f90\n mcip4/metinfo_mod.f90\n mcip4/metvars_mod.f90\n mcip4/rdwrfem.f90\n mcip4/setup_mm5v3.f90\n mcip4/setup_wrfem.f90\n\n\n- Changed values of output convective precipitation array to negative (i.e.,\n non-physical) values if a cumulus parameterization scheme was not used in\n the meteorological model. Works with a change to the sub-grid cloud scheme\n in CMAQv5.0.\n\n Changed files: mcip4/metvars2ctm.f90\n\n\n- Changed format of print statements to take Intel compiler's recommendations\n and eliminate warning messages.\n\n Changed files: mcip4/blddesc.f90\n mcip4/statflds.f90\n\n\n- Updated metadata with options from WRFv3.2 and WRFv3.3. Added shallow convection\n option to metadata.\n\n Changed files: mcip4/blddesc.f90\n mcip4/metinfo_mod.f90\n mcip4/mm5v3opts.f90\n mcip4/setup_mm5v3.f90\n mcip4/setup_wrfem.f90\n mcip4/wrfemopts.f90\n\n\n- Corrected variable type mismatch between double-precision and single-precision\n real.\n\n Changed files: mcip4/ll2xy_lam.f90\n mcip4/ll2xy_lam_tan.f90\n\n\n- Replaced Fortran 90 modules parms3_mod.f90, fdesc3_mod.f90, and\n iodecl3_mod.f90 and dependencies on PARMS3.EXT, FDESC3.EXT, and IODECL3.EXT\n with I/O API module M3UTILIO. Also removed I/O API internal parameter\n checking call to I/O API routine IOPARMS3 in init_io.f90.\n ** MCIP now has a dependency on I/O API v3.1 or higher.\n\n Removed files: mcip4/fdesc3_mod.f90\n mcip4/iodecl3_mod.f90\n mcip4/parms3_mod.f90\n\n Changed files: mcip4/alloc_ctm.f90\n mcip4/close_files.f90\n mcip4/comheader.f90\n mcip4/gridout.f90\n mcip4/init_io.f90\n mcip4/init_x.f90\n mcip4/mcipparm_mod.f90\n mcip4/metcro.f90\n mcip4/metdot.f90\n mcip4/metvars2ctm.f90\n mcip4/pblsup.f90\n mcip4/resistcalc.f90\n mcip4/sat2mcip_mod.f90\n mcip4/setgriddefs.f90\n mcip4/setup_mm5v3.f90\n mcip4/setup_wrfem.f90\n mcip4/Makefile\n\n\n- Changed name of module FILE to FILES to avoid conflict with F90 protected\n intrinsic.\n\n Removed file: mcip4/file_mod.f90\n\n New file: mcip4/files_mod.f90\n\n Changed files: mcip4/chkwpshdr.f90\n mcip4/chkwrfhdr.f90\n mcip4/getgist.f90\n mcip4/getversion.f90\n mcip4/gridout.f90\n mcip4/mcip.f90\n mcip4/metcro.f90\n mcip4/metdot.f90\n mcip4/rdmm5v3.f90\n mcip4/rdwrfem.f90\n mcip4/readnml.f90\n mcip4/readter.f90\n mcip4/setup.f90\n mcip4/setup_mm5v3.f90\n mcip4/setup_wrfem.f90\n mcip4/wrgdesc.f90\n mcip4/Makefile\n\n\n- Updated netCDF commands from F77 to F90, and improved error handling.\n\n Changed files: mcip4/chkwpshdr.f90\n mcip4/chkwrfhdr.f90\n mcip4/rdwrfem.f90\n mcip4/sat2mcip_mod.f90\n mcip4/setgriddefs.f90\n mcip4/setup.f90\n mcip4/setup_wrfem.f90\n mcip4/wrf_netcdf_mod.f90\n\n\n- Improved error handling by removing GOTO statements.\n\n Changed files: mcip4/collapx.f90\n mcip4/getgist.f90\n mcip4/getluse.f90\n mcip4/getmet.f90\n mcip4/getversion.f90\n mcip4/gridout.f90\n mcip4/layht.f90\n mcip4/ll2xy_lam.f90\n mcip4/metcro.f90\n mcip4/metdot.f90\n mcip4/metvars2ctm.f90\n mcip4/rdmm5v3.f90\n mcip4/readnml.f90\n mcip4/readter.f90\n mcip4/resistcalc.f90\n mcip4/setup_mm5v3.f90\n mcip4/statflds.f90\n\n\n- Consolidated land use definitions and removed unnecessary routines.\n\n Removed files: mcip4/alloc_lu.f90\n mcip4/dealloc_lu.f90\n mcip4/init_lu.f90\n\n Changed files: mcip4/luvars_mod.f90\n mcip4/mcip.f90\n mcip4/Makefile\n\n\n- Changed arguments for subroutine GETH_IDTS in module DATE_PACK so that\n the character strings are explicitly 19-characters long.\n\n Changed files: mcip4/date_pack_mod.f90\n mcip4/rdmm5v3.f90\n mcip4/rdwrfem.f90\n mcip4/sat2mcip_mod.f90\n mcip4/setup_wrfem.f90\n\n\n- Changed TOL on comparing data sets for MM5.\n\n Changed files: mcip4/setup_mm5v3.f90\n\n\n- Updated F77 constructs to F90, and replaced DATA statement declarations\n with PARAMETER statements.\n\n\n- Changed directory names from MCIP3 to MCIP4 and mcip3 to mcip4 to minimize\n confusion.\n\n\n- Updated disclaimer at top of codes.\n\n\n- Updated release stamp.\n\n Changed files: mcip4/mcipparm_mod.f90\n\n\n--------------------------------------------------------------------------------\n\nMCIP Version 3.5 beta (29 Oct 2009) and Version 3.6 (19 Mar 2010)\n\n- Added user option to define reference latitude for WRF domains with Lambert\n conformal projection. This option uses a new namelist variable, and this\n option is particularly useful when trying to match a WRF domain to an\n existing MM5 domain (to compare WRF vs. MM5 or to \"recycle\" emissions\n surrogates).\n\n Changed files: mcip3/mcipparm_mod.f90\n mcip3/readnml.f90\n mcip3/setgriddefs.f90\n mcip3/run.mcip\n\n\n- Corrected calculation of I/O API header variables for WRF polar stereographic\n projection.\n\n Changed files: mcip3/ll2xy_ps.f90\n mcip3/setgriddefs.f90\n\n\n- Corrected error in computing wind direction when U-component wind is\n effectively zero.\n\n Changed file: mcip3/wind.f90\n\n\n- Corrected error checking of surface-layer scheme for 2nd and subsequent WRF\n files.\n\n Changed files: mcip3/chkwrfhdr.f90\n\n\n- Corrected error in mapping TKE to DUMARAY1 and vice versa in the layer\n collapsing prior to outputting cross-point 3-D fields.\n\n Changed files: mcip3/metcro.f90\n\n\n- Added Modified IGBP MODIS NOAH and NLCD/MODIS as land-use classification\n options for WRF. Changed GRIDCRO2D to print land use category description\n (e.g., urban, deciduous forest) and classification source when fractional\n land use categories are available rather than \"land use category N\".\n\n New files: mcip3/alloc_lu.f90\n mcip3/dealloc_lu.f90\n mcip3/init_lu.f90\n mcip3/luvars_mod.f90\n\n Changed files: mcip3/alloc_x.f90\n mcip3/dealloc_x.f90\n mcip3/getluse.f90\n mcip3/gridout.f90\n mcip3/mcip.f90\n mcip3/mcippparm_mod.f90\n mcip3/metvars2ctm.f90\n mcip3/resistcalc.f90\n mcip3/rdwrfem.f90\n mcip3/setup_wrfem.f90\n mcip3/xvars_mod.f90\n mcip3/Makefile\n\n\n- Updated code to support changes in WRFv3.1+.\n\n Changed files: mcip3/alloc_met.f90\n mcip3/blddesc.f90\n mcip3/getluse.f90\n mcip3/metinfo_mod.f90\n mcip3/rdwrfem.f90\n mcip3/setgriddefs.f90\n mcip3/setup_mm5v3.f90\n mcip3/setup_wrfem.f90\n mcip3/wrfemopts.f90\n\n\n- Added urban model option to output metadata.\n\n Changed files: mcip3/blddesc.f90\n mcip3/mm5v3opts.f90\n mcip3/wrfemopts.f90\n\n\n- Added condition that vegetation fraction must be greater than zero to be\n considered a land point in M3Dry. This works around intermittent\n inconsistencies in surface fields in some WRF data sets.\n \n Changed files: mcip3/m3dry.f90\n\n\n- Added option to output 3D field of potential vorticity.\n\n New files: mcip3/pvs.f90\n\n Changed files: mcip3/alloc_ctm.f90\n mcip3/alloc_met.f90\n mcip3/alloc_x.f90\n mcip3/dealloc_ctm.f90\n mcip3/dealloc_met.f90\n mcip3/dealloc_x.f90\n mcip3/dynflds.f90\n mcip3/init_met.f90\n mcip3/init_x.f90\n mcip3/mcipparm_mod.f90\n mcip3/mcoutcom_mod.f90\n mcip3/metcro.f90\n mcip3/metvars_mod.f90\n mcip3/metvars2ctm.f90\n mcip3/rdmm5v3.f90\n mcip3/readnml.f90\n mcip3/xvars_mod.f90\n mcip3/Makefile\n mcip3/run.mcip\n\n\n- Added map-scale factors squared on cross points so the field does not need\n to be recalculated each MCIP time step.\n\n Changed files: mcip3/alloc_x.f90\n mcip3/dealloc_x.f90\n mcip3/gridout.f90\n mcip3/init_x.f90\n mcip3/metcro.f90\n mcip3/metgrid2ctm.f90\n mcip3/xvars_mod.f90\n\n\n- Improved and generalized gridding routines to include additional flexibility\n for WRF domains. Corrected errors in defining dot-point latitudes and\n longitudes for WRF nests.\n\n Deleted file: mcip3/gridgeometry.f90\n\n New files: mcip3/cori.f90\n mcip3/ll2xy_merc.f90\n mcip3/mapfac_lam.f90\n mcip3/mapfac_merc.f90\n mcip3/mapfac_ps.f90\n mcip3/xy2ll_lam.f90\n mcip3/xy2ll_merc.f90\n mcip3/xy2ll_ps.f90\n\n Changed files: mcip3/Makefile\n mcip3/ll2xy_lam_sec.f90\n mcip3/ll2xy_ps.f90\n mcip3/rdmm5v3.f90\n mcip3/rdwrfem.f90\n mcip3/setgriddefs.f90\n mcip3/setup_mm5v3.f90\n mcip3/setup_wrfem.f90\n\n\n- Allow output variable PURB to be generated without fractional land use but\n with the urban model in WRF.\n\n Changed files: mcip3/alloc_ctm.f90\n mcip3/alloc_x.f90\n mcip3/gridout.f90\n mcip3/init_x.f90\n\n\n- Remove vertical velocity (predicted by the meteorological model; WWIND) from\n output by default; retain user option to output 3D field. Add user option to\n output u- and v-component winds (UWINDC and VWINDC) on C-staggered grid used\n by WRF and CMAQ. (Note: UWIND and VWIND, which are on the B-staggered grid\n used by MM5, are still available in METDOT3D by default.)\n\n Changed files: mcip3/alloc_ctm.f90\n mcip3/dealloc_ctm.f90\n mcip3/mcipparm_mod.f90\n mcip3/mcoutcom_mod.f90\n mcip3/mdoutcom_mod.f90\n mcip3/metcro.f90\n mcip3/metdot.f90\n mcip3/readnml.f90\n mcip3/setgriddefs.f90\n mcip3/run.mcip\n\n\n- Allow output from WRF Preprocessing System (WPS) routine, GEOGRID, to provide\n fractional land use output if it is unavailable in WRF output (i.e., use\n file geogrid_d01 in addition to wrfout).\n\n New file: mcip3/chkwpshdr.f90\n\n Changed files: mcip3/mcipparm_mod.f90\n mcip3/rdwrfem.f90\n mcip3/setgriddefs.f90\n mcip3/setup_mm5v3.f90\n mcip3/setup_wrfem.f90\n mcip3/Makefile\n mcip3/run.mcip\n\n\n- Changed method for determining whether or not roughness length and fractional\n land use exist to avoid error condition with netCDF4.\n\n Changed files: mcip3/mcipparm_mod.f90\n mcip3/rdwrfem.f90\n mcip3/setup_wrfem.f90\n\n\n- Corrected error in checking WRF observation nudging coefficient for\n temperature.\n\n Changed files: mcip3/chkwrfhdr.f90\n\n\n- Changed representation of Mercator projection from MM5 and WRF in I/O API\n from \"general Mercator\" to \"equatorial Mercator\".\n\n Changed files: mcip3/setgriddefs.f90\n mcip3/setup_mm5v3.f90\n mcip3/setup_wrfem.f90\n\n\n- Changed code to allow leaf area index to be filled when a land-surface model\n is not used in WRF.\n\n Changed file: mcip3/rdwrfem.f90\n\n\n- Changed netCDF Fortran 90 calls to netCDF Fortran 77 calls in satellite\n routines to improve compatibility with netCDF4 and reduce compiler\n dependencies on the netCDF Fortran 90 interface.\n\n Changed file: mcip3/sat2mcip_mod.f90\n\n\n- Changed some real number comparisons from \"equivalences\" to \"less than\n tolerances\".\n\n Changed files: mcip3/m3dry.f90\n mcip3/metvars2ctm.f90\n mcip3/pblsup.f90\n mcip3/rdmm5v3.f90\n mcip3/rdwrfem.f90\n\n\n- Corrected typo in netCDF description of roughness length, ZRUF.\n\n Changed files: mcip3/mcoutcom_mod.f90\n\n\n- Improved WRF file handling and streamlined netCDF reads from WRF files.\n Reduced number of times files were opened and closed in netCDF. Changed\n all netCDF routines to use Fortran interfaces.\n\n Changed files: mcip3/chkwpshdr.f90\n mcip3/chkwrfhdr.f90\n mcip3/rdwrfem.f90\n mcip3/setup.f90\n mcip3/setup_wrfem.f90\n mcip3/wrf_netcdf_mod.f90\n\n\n- Added metadata summary to MCIP log file.\n\n Changed files: mcip3/mcip.f90\n\n\n- Added compiler options for gfortran.\n\n Changed files: mcip3/Makefile\n\n\n- Removed unused variables.\n\n Changed files: mcip3/chkwpshdr.f90\n mcip3/chkwrfhdr.f90\n mcip3/dynflds.f90\n mcip3/getluse.f90\n mcip3/getsdt.f90\n mcip3/ll2xy_merc.f90\n mcip3/mcip.f90\n mcip3/pblsup.f90\n mcip3/rdmm5v3.f90\n mcip3/rdwrfem.f90\n mcip3/readter.f90\n mcip3/setgriddefs.f90\n mcip3/setup_wrfem.f90\n mcip3/sfclayer.f90\n mcip3/wrf_netcdf_mod.f90\n\n\n- Changed all Fortran routines from *.F to *.f90 to better conform to\n standard naming conventions.\n\n Changed files: mcip3/Makefile\n mcip3/*.f90\n\n\n- Added compiler options for gfortran.\n\n Changed file: mcip3/Makefile\n\n\n- Changed directory names from MCIP2 to MCIP3 and mcip2 to mcip3 to minimize\n confusion.\n\n\n- Updated version stamp.\n\n Changed files: mcip3/mcipparm_mod.f90\n\n--------------------------------------------------------------------------------\n\nMCIP Version 3.4.1 (4 December 2008)\n\n- Changed setting for YCENT_GD (and, thus, XORIG_GD and YORIG_GD) for WRF\n for Lambert conformal projection so that the headers will not fail in the\n Spatial Allocator. Reference latitude is now set to the average of the\n true latitudes for the secant Lambert conformal case. (Still need to test\n settings for polar stereographic and Mercator for WRF.)\n\n Changed files: mcip2/ll2xy_lam.F\n mcip2/ll2xy_lam_sec.F\n mcip2/setgriddefs.F\n\n\n- Prevent users from having tangent Lambert conformal case until it can be\n tested with the Spatial Allocator. (Known problem is that the Spatial\n Allocator does not work properly when the reference latitude is equal to\n the first true latitude. Work-around is to set reference latitude to\n average of true latitudes for Lambert conformal. But average of true\n latitudes for tangent Lambert conformal case is the first true latitude,\n which will result in the same problem as solution used in MCIPv3.4.)\n\n Changed files: mcip2/ll2xy_lam.F\n\n\n- Updated version stamp.\n\n Changed files: mcip2/mcipparm_mod.F\n\n--------------------------------------------------------------------------------\n\nMCIP Version 3.4 (3 November 2008)\n\n- Corrected the scaling parameter used to estimate the friction velocity over\n water in surface waters (variable \"D3\"). Added an exception for elemental\n mercury deposition to wet soil surfaces as most measurements show evasion\n from recently wet soil surfaces. Also added trap for undefined dry\n deposition velocities (e.g., NaN).\n\n Changed files: mcip2/m3dry.F\n\n\n- Added dry deposition velocities for five air toxic species.\n\n Changed files: mcip2/hlconst.F\n mcip2/init_depv.F\n mcip2/m3dry.F\n mcip2/mcipparm_mod.F\n\n\n- Added sample print statements to log file for percentage of urban area and\n fractional land use when those fields are available.\n\n Changed files: mcip2/gridout.F\n\n\n- Changed code to use values for gravitational constant and dry gas constant\n that are consistent with MM5 system rather than CMAQ system for computing\n coordinate-based fields. Removed explicit recalculation of reference\n P-star and use field directly from MM5 output.\n\n Changed files: mcip2/metvars2ctm.F\n mcip2/refstate.F\n\n\n- Added preliminary support for urban canopy model in WRF.\n\n Changed file: mcip2/alloc_met.F\n mcip2/dealloc_met.F\n mcip2/getluse.F\n mcip2/init_met.F\n mcip2/metinfo_mod.F\n mcip2/metvars_mod.F\n mcip2/rdwrfem.F\n mcip2/setup_mm5v3.F\n mcip2/setup_wrfem.F\n\n\n- Corrected reading snow cover field for MM5 simulations with snow effects\n turned off (i.e., IFSNOW=0).\n\n Changed files: mcip2/rdmm5v3.F\n\n\n- Changed settings for WRF for XCENT_GD, YCENT_GD, XORIG_GD, and YORIG_GD in\n GRIDDESC and M3IO headers for Lambert conformal projection so that headers\n will be compatible with M3IO utility routines LL2LAM and LAM2LL. Still\n need to test with polar stereographic and Mercator projections.\n\n Changed files: mcip2/setgriddefs.F\n\n New files: mcip2/ll2xy_lam.F\n mcip2/ll2xy_lam_sec.F\n mcip2/ll2xy_lam_tan.F\n mcip2/ll2xy_ps.F\n\n\n- Changed read of vegetation fraction for WRF to preferentially use VEGF_PX\n rather than VEGFRA for Pleim-Xiu land-surface model.\n\n Changed files: mcip2/rdwrfem.F\n\n\n- Added processing option to include GOES-East satellite analyses to replace\n cloud top, cloud bottom, and cloud cover and to add cloud transmissivity for\n use in photolysis in CMAQ. Software components contributed by University of\n Alabama at Huntsville. Requires additional data sets and preprocessing\n package available from University of Alabama at Huntsville.\n\n Changed files: mcip2/Makefile\n mcip2/mcip.F\n mcip2/metcro.F\n mcip2/readnml.F\n mcip2/run.mcip\n mcip2/setgriddefs.F\n\n New file: mcip2/sat2mcip_mod.F\n\n\n- Added 2-m mixing ratio (Q2) to the METCRO2D output. Use Q2 directly from\n MM5 or WRF, if it is available; otherwise use layer-1 QV. Modified PBLSUP\n to use Q2 rather than layer-1 QV to diagnose near-surface variables. Added\n turbulent kinetic energy (TKE or TKEF) to the METCRO3D output, if it is\n available from MM5 or WRF.\n\n Changed files: mcip2/alloc_ctm.F\n mcip2/alloc_met.F\n mcip2/alloc_x.F\n mcip2/dealloc_ctm.F\n mcip2/dealloc_met.F\n mcip2/dealloc_x.F\n mcip2/init_met.F\n mcip2/init_x.F\n mcip2/mcipparm_mod.F\n mcip2/mcoutcom_mod.F\n mcip2/metcro.F\n mcip2/metvars_mod.F\n mcip2/metvars2ctm.F\n mcip2/pblsup.F\n mcip2/rdmm5v3.F\n mcip2/rdwrfem.F\n mcip2/setgriddefs.F\n mcip2/setup_mm5v3.F\n mcip2/setup_wrfem.F\n mcip2/xvars_mod.F\n\n\n- Allow skin temperature from WRF-based input to be filled by top-layer soil\n temperature, if skin temperature is unavailable in WRF output.\n\n Changed files: mcip2/rdwrfem.F\n\n\n- Expanded tables of roughness length values to include 33 USGS land use\n categories. Added error-checking when ZNT is set from the lookup table for\n WRF. Corrected season assignment for WRF lookup table for the Southern\n Hemisphere.\n\n Changed files: mcip2/metvars2ctm.F\n mcip2/rdwrfem.F\n mcip2/resistcalc.F\n\n\n- Added error checking to ensure that WRF files used in an MCIP run are\n from the same simulation so that incremental precipitation totals are\n processed correctly.\n\n Changed files: mcip2/rdwrfem.F\n\n New file: mcip2/chkwrfhdr.F\n\n\n- Updated list of WRF model options used in metadata to reflect changes in\n WRFv3.\n\n Changed files: mcip2/wrfemopts.F\n\n\n- Changed setting for LAI to a fixed value (4.0) if NOAH LSM was used with WRF\n and if LAI is not found in the meteorology input files. Check LAI, RA, and\n RSTOM to ensure that there are non-zero values in the fields, if they exist.\n If the values of RA and/or RSTOM are all 0.0, reset IFRESIST flag so that\n they will be calculated later. If LAI is in output but is 0.0, set LAI\n to a fixed value (4.0) for NOAH LSM.\n\n Changed files: mcip2/metvars2ctm.F\n mcip2/rdwrfem.F\n\n\n- Changed criteria for setting number of land use categories from WRF when\n netCDF dimension \"land_cat_stag\" does not exist (i.e., when fractional\n land use is not part of the output).\n\n Changed files: mcip2/getluse.F\n mcip2/setup_wrfem.F\n mcip2/rdwrfem.F\n\n\n- Added nudging coefficients to metadata.\n\n Changed files: mcip2/blddesc.F\n mcip2/metinfo_mod.F\n mcip2/setup_mm5v3.F\n mcip2/setup_wrfem.F\n\n\n- Added earth radius assumed in MCIP to user input and to metadata.\n\n Changed files: mcip2/blddesc.F\n mcip2/const_mod.F\n mcip2/mcipparm_mod.F\n mcip2/readnml.F\n mcip2/run.mcip\n mcip2/gridgeometry.F\n\n- Updated Henry's Law constants for O3, NO3, hexane, octane, nonane, and\n methanol, and updated isoprene reference following changes made to\n analogous routine in CMAQ.\n\n Changed files: mcip2/hlconst.F\n\n \n- Replaced NTHIKD with NTHIK and replaced NBNDYD with NBNDY. Removed option\n for NTHIK=0.\n\n Changed files: mcip2/alloc_ctm.F\n mcip2/gridout.F\n mcip2/mcipparm_mod.F\n mcip2/metcro.F\n mcip2/setgriddefs.F\n\n\n- Increased maximum number of meteorology input files to 300 to accommodate\n 5-minute input for one day (i.e., 289 files).\n\n Changed files: mcip2/file_mod.F\n\n\n- Changed code to explicitly read free-form F90-compliant \"include\" files\n from I/O API rather than duplicate their contents.\n\n Changed files: mcip2/fdesc3_mod.F\n mcip2/iodecl3_mod.F\n mcip2/parms3_mod.F\n mcip2/Makefile\n\n\n- Updated version stamp.\n\n Changed files: mcip2/mcipparm_mod.F\n\n--------------------------------------------------------------------------------\n\nMCIP Version 3.3 (1 Aug 2007)\n\n- Added a non-zero mesophyll resistance for NO, NO2, and CO in M3Dry\n following Pleim et al. (1984). Restored wet cuticle resistance for\n O3 based on field study measurements. Added wet ground resistance.\n Changed ground resistance to include partitioning of wet and dry ground.\n Updated pH of rain water for eastern United States and outside of North\n America. Changed reactivity for PAN. Corrected error in the calculation\n of surface resistance over water where (Sc/Pr)**(2/3) had inadvertently\n been omitted from the numerator. Surface resistance over water is now\n a function of species. Surface resistance over water now uses wet bulb\n temperature rather than ground (water) temperature in the calculation of\n the effective Henry's law constant, and algorithm has been updated.\n Changed (Sc/Pr)**(2/3) over water to a species-dependent, meteorologically\n dependent variable. Effective Henry's law constant over land now uses\n 2-m temperature rather than layer 1 temperature. Clarified usage of\n variables that store saturation vapor pressure and humidity.\n\n Changed files: mcip2/m3dry.F\n\n\n- Removed dry deposition velocity calculations for obsolete chlorine species\n ICL1 and ICL2.\n\n Changed files: mcip2/init_depv.F\n mcip2/m3dry.F\n\n\n- Corrected error in processing incremental precipitation (output fields\n RN and RC in METCRO2D) for first MCIP output time period when the first\n WRF output time is not used by MCIP.\n\n Changed files: mcip2/rdwrfem.F\n\n\n- Corrected error in calculation of contravariant vertical velocity (output\n field WHAT_JD in METCRO3D) for non-hydrostatic MM5 simulations where the\n total surface pressure from the first time period processed by MCIP was used\n rather than the reference surface pressure. [Has no impact on CMAQ\n simulations that use the (default) Yamartino scheme because contravariant\n vertical velocity is recalculated there.] Also eliminated calculation of\n reference surface pressure in METGRID2CTM because it was never referenced\n before being overwritten with total pressure and it is now captured in\n REFSTATE.\n\n Changed files: mcip2/alloc_x.F\n mcip2/dealloc_x.F\n mcip2/init_x.F\n mcip2/metgrid2ctm.F\n mcip2/refstate.F\n mcip2/vertnhy.F\n mcip2/xvars_mod.F\n\n\n- Added output fields to support calculating dry deposition velocities\n inline in the CCTM. Added option (LDDEP=0) to bypass calculating dry\n deposition velocities in MCIP. Added fractional land use to output.\n\n Changed files: mcip2/alloc_ctm.F\n mcip2/dealloc_ctm.F\n mcip2/gridout.F\n mcip2/groutcom_mod.F\n mcip2/mcip.F\n mcip2/mcoutcom_mod.F\n mcip2/metcro.F\n\n\n- Removed obsolescent routines for processing RADM dry deposition velocities,\n MM5 version 2-formatted data, and recalculating PBL and radiation fields.\n Changed code so that M3Dry with chlorine and mercury is the only option\n to compute dry deposition velocities in MCIP. Removed user options\n associated with these (former) MCIP functions (i.e., LPBL, LCLD, LRAD,\n LHYDOUT). Changed USTAR and RADYN to be 2D arrays without a dimension for\n fractional land use that was required for RADMdry. Removed RADMdry variable\n ISESN.\n\n Changed files: mcip2/Makefile\n mcip2/run.mcip\n mcip2/alloc_depv.F\n mcip2/alloc_x.F\n mcip2/dealloc_depv.F\n mcip2/depvvars_mod.F\n mcip2/dynflds.F\n mcip2/getluse.F\n mcip2/getmet.F\n mcip2/getversion.F\n mcip2/init_depv.F\n mcip2/init_x.F\n mcip2/m3dry.F\n mcip2/mcipparm_mod.F\n mcip2/metcro.F\n mcip2/metgrid2ctm.F\n mcip2/metinfo_mod.F\n mcip2/metvars2ctm.F\n mcip2/pblsup.F\n mcip2/readnml.F\n mcip2/resistcalc.F\n mcip2/setgriddefs.F\n mcip2/setup.F\n mcip2/setup_mm5v3.F\n mcip2/setup_wrfem.F\n mcip2/statflds.F\n mcip2/xvars_mod.F\n\n Deleted files: mcip2/const_mete_mod.F\n mcip2/crs2dot.F\n mcip2/cvmgp.F\n mcip2/cvmgz.F\n mcip2/lradmdat_mod.F\n mcip2/mdate2hdate.F\n mcip2/pblpkg.F\n mcip2/pblpwr.F\n mcip2/radmdry.F\n mcip2/rdmm5.F\n mcip2/rdmm5v2.F\n mcip2/setup_mm5v2.F\n mcip2/sfcflux.F\n mcip2/slflux.F\n mcip2/solar.F\n mcip2/transm.F\n mcip2/verthyd.F\n\n\n- Modified calculations to eliminate dependencies on functions CVMGP and CVMGZ.\n\n Changed files: mcip2/getpblht.F\n mcip2/pblsup.F\n\n\n- Eliminated dependencies on module CONST_METE.\n\n Changed files: mcip2/bcldprc_ak.F\n mcip2/wind.F\n\n\n- Removed RBNDYI and JACOBS from output.\n\n Changed files: mcip2/alloc_ctm.F\n mcip2/alloc_x.F\n mcip2/dealloc_ctm.F\n mcip2/dealloc_x.F\n mcip2/init_x.F\n mcip2/m3dry.F\n mcip2/mcoutcom_mod.F\n mcip2/metcro.F\n mcip2/xvars_mod.F\n\n\n- Removed calculations of low, middle, and high cloud amounts.\n\n Changed files: mcip2/alloc_x.F\n mcip2/bcldprc_ak.F\n mcip2/dealloc_x.F\n mcip2/init_x.F\n mcip2/xvars_mod.F\n\n\n- Removed calculations of 1.5-m and 10-m temperatures. Changed 2-m\n temperature to be output all of the time and to be calculated if it is\n unavailable in the input meteorology file(s). Changed 2-m temperature\n from \"XT2\" to \"XTEMP2\".\n\n Changed files: mcip2/alloc_ctm.F\n mcip2/alloc_x.F\n mcip2/dealloc_ctm.F\n mcip2/dealloc_x.F\n mcip2/init_x.F\n mcip2/m3dry.F\n mcip2/mcoutcom_mod.F\n mcip2/metcro.F\n mcip2/pblsup.F\n mcip2/xvars_mod.F\n\n\n- Simplfied calculation of layer-1 specific humidity to optimize code.\n (Exact same answer.)\n\n Changed file: mcip2/pblsup.F\n\n\n- Updated MCIP to account for new method of storing \"real\" scalars in\n WRF I/O API with WRFv2.2.\n\n Changed files: mcip2/setup_wrfem.F\n mcip2/wrf_netcdf_mod.F\n\n\n- Added reads for fractional land use, leaf area index, aerodynamic\n and stomatal resistances, vegetation fraction, and canopy wetness,\n if they are available, in WRF. Allowed for roughness length to be\n filled from a lookup table if it is not available in WRF output file.\n\n Changed files: mcip2/metinfo_mod.F\n mcip2/rdwrfem.F\n mcip2/setup_wrfem.F\n mcip2/wrf_netcdf_mod.F\n\n\n- Removed reads and internal variables for emissivity and net radiation.\n Changed P-X variables for soil moisture, soil temperature, and soil type\n to general optional variables associated with IFSOIL.\n\n Changed files: mcip2/alloc_ctm.F\n mcip2/alloc_met.F\n mcip2/alloc_x.F\n mcip2/dealloc_ctm.F\n mcip2/dealloc_met.F\n mcip2/dealloc_x.F\n mcip2/init_met.F\n mcip2/init_x.F\n mcip2/mcoutcom_mod.F\n mcip2/metcro.F\n mcip2/metvars_mod.F\n mcip2/metvars2ctm.F\n mcip2/rdmm5v3.F\n mcip2/rdwrfem.F\n mcip2/xvars_mod.F\n\n\n- Refined M3IO description of dominant land use categories to include\n land use source.\n\n Changed files: mcip2/getluse.F\n mcip2/gridout.F\n mcip2/groutcom_mod.F\n mcip2/resistcalc.F\n mcip2/setup_mm5v3.F\n mcip2/setup_wrfem.F\n mcip2/xvars_mod.F\n\n\n- Moved F2 and RSTMIN from metvars2ctm.F to resistcalc.F, and made them\n local variables.\n\n Changed files: mcip2/alloc_x.F\n mcip2/dealloc_x.F\n mcip2/init_x.F\n mcip2/metvars2ctm.F\n mcip2/resistcalc.F\n mcip2/xvars_mod.F\n\n\n- Eliminated logical variable \"PX\" to make code more general. Added\n several flags to indicate whether or not fields are available in input\n meteorology. Made changes to accommodate the NOAH LSM.\n\n Changed files: mcip2/alloc_ctm.F\n mcip2/alloc_met.F\n mcip2/dealloc_ctm.F\n mcip2/dealloc_met.F\n mcip2/init_met.F\n mcip2/m3dry.F\n mcip2/mcipparm_mod.F\n mcip2/mcoutcom_mod.F\n mcip2/metcro.F\n mcip2/metinfo_mod.F\n mcip2/pblsup.F\n mcip2/rdmm5v3.F\n mcip2/rdwrfem.F\n mcip2/setup_mm5v3.F\n mcip2/setup_wrfem.F\n\n\n- Changed setting of Schmidt number for water to be consistent in code.\n\n Changed files: mcip2/resistcalc.F\n\n\n- Corrected setting for number of microphysical species available when\n warm rain scheme is run in MM5.\n\n Changed files: mcip2/setup_mm5v3.F\n\n\n- Corrected sample prints in the log file for a one-cell domain.\n\n Changed file: mcip2/setgriddefs.F\n\n\n- Added \"IMPLICIT NONE\".\n\n Changed files: mcip2/alloc_x.F\n mcip2/const_mod.F\n mcip2/const_pbl_mod.F\n mcip2/coord_mod.F\n mcip2/date_time_mod.F\n mcip2/depvvars_mod.F\n mcip2/fdesc3_mod.F\n mcip2/file_mod.F\n mcip2/getpblht.F\n mcip2/groutcom_mod.F\n mcip2/iodecl3_mod.F\n mcip2/mcipparm_mod.F\n mcip2/mcoutcom_mod.F\n mcip2/mdoutcom_mod.F\n mcip2/metinfo_mod.F\n mcip2/metvars_mod.F\n mcip2/parms3_mod.F\n mcip2/setgriddefs.F\n mcip2/vertarys.F\n mcip2/vgrd_mod.F\n mcip2/xvars_mod.F\n\n\n- Reduced memory use in cloud postprocessing routine.\n\n Changed files: mcip2/bcldprc_ak.F\n\n\n- Added metadata to output files to describe MCIP version, input meteorology\n source, and options used in the meteorology model.\n\n Changed files: mcip2/Makefile\n mcip2/comheader.F\n mcip2/mcipparm_mod.F\n mcip2/metinfo_mod.F\n mcip2/setup_mm5v3.F\n mcip2/setup_wrfem.F\n mcip2/statflds.F\n mcip2/vstamp.F\n\n New files: mcip2/blddesc.F\n mcip2/mm5v3opts.F\n mcip2/wrfemopts.F\n\n\n- Updated version stamp.\n\n Changed files: mcip2/mcipparm_mod.F\n mcip2/vstamp.F\n\n--------------------------------------------------------------------------------\n\nMCIP Version 3.2 (20 September 2006)\n\n- Modified I/O API header variable settings for WRF-ARW (WRF-EM) to reflect\n additional capability to have center of coarse domain located elsewhere\n than the center of the projection. (Note that applications of CMAQ with\n WRF-ARW input will no longer adhere to the \"grid family\" paradigm for\n the Models-3 I/O API, and a separate GRIDDESC file will be required for\n each grid.)\n\n Changed files: mcip2/metinfo_mod.F\n mcip2/setgriddefs.F\n mcip2/setup_mm5v2.F\n mcip2/setup_mm5v3.F\n mcip2/setup_wrfem.F\n\n Deleted file: mcip2/xxyy.F\n\n\n- For non-PX runs only: Corrected error in bookkeeping \"last wet time\" in\n M3Dry dry deposition when Pleim-Xiu land-surface model is not run. Also\n now use ground temperature rather than 2-m air temperature to calculate\n ground-level relative humidity. Allow canopy to dry out gradually between\n 2 and 3 hours after \"last wet time\".\n\n Changed files: mcip2/dynflds.F\n mcip2/m3dry.F\n\n\n- Corrected checking and setting of I/O API header variables for\n Mercator and polar stereographic projections.\n\n Changed files: mcip2/rdmm5v2.F\n mcip2/rdmm5v3.F\n mcip2/setgriddefs.F\n mcip2/setup_mm5v2.F\n mcip2/setup_mm5v3.F\n mcip2/setup_wrfem.F\n\n\n- Added restriction that Eta/Ferrier microphysics scheme in WRF-ARW (WRF-EM)\n is currently incompatible with CMAQ.\n\n Changed file: mcip2/setup_wrfem.F\n\n\n- Added capability to fill land-use lookup table fields in MM5v3-formatted\n data that have been converted from MM5v2 format.\n\n Changed file: mcip2/rdmm5v3.F\n\n\n- Corrected filling of vertical velocity array for MM5v2-formatted data.\n\n Changed file: mcip2/rdmm5v2.F\n\n\n- Added land-water mask to output in GRIDCRO2D.\n\n Changed files: mcip2/alloc_ctm.F\n mcip2/alloc_x.F\n mcip2/dealloc_ctm.F\n mcip2/dealloc_x.F\n mcip2/getluse.F\n mcip2/gridout.F\n mcip2/groutcom_mod.F\n mcip2/init_x.F\n mcip2/xvars_mod.F\n\n\n- Corrected logic for processing MM5's TERRAIN file to account for\n expanded grid in domain 1.\n\n Changed file: mcip2/readter.F\n\n\n- Updated condition for GRIDCRO3D output to reflect new WRF-ARW (WRF-EM)\n vertical coordinate descriptor for I/O API.\n\n Changed files: mcip2/alloc_ctm.F\n mcip2/gridout.F\n\n\n- Optimized calculations of species-specific constants.\n\n Changed files: mcip2/alloc_depv.F\n mcip2/dealloc_depv.F\n mcip2/depvvars_mod.F\n mcip2/m3dry.F\n\n\n- Use land-water mask rather than dominant land use array to determine\n water points.\n\n Changed files: mcip2/m3dry.F\n mcip2/resistcalc.F\n\n\n- General code clean-up (remove unused variables, moved variables from\n global modules to local within subroutines, type mismatches, correcting\n or clarifying comments, etc.).\n\n Changed files: mcip2/alloc_x.F\n mcip2/collapx.F\n mcip2/const_mete_mod.F\n mcip2/const_mod.F\n mcip2/dealloc_x.F\n mcip2/getluse.F\n mcip2/getmet.F\n mcip2/gridout.F\n mcip2/init_met.F\n mcip2/init_x.F\n mcip2/layht.F\n mcip2/m3dry.F\n mcip2/metcro.F\n mcip2/metdot.F\n mcip2/metgrid2ctm.F\n mcip2/metvars2ctm.F\n mcip2/pblpkg.F\n mcip2/pblpwr.F\n mcip2/resistcalc.F\n mcip2/setgriddefs.F\n mcip2/setup_mm5v3.F\n mcip2/setup_wrfem.F\n mcip2/sfcflux.F\n mcip2/sfclayer.F\n mcip2/slflux.F\n mcip2/solar.F\n mcip2/vertnhy.F\n mcip2/vertnhy_wrf.F\n mcip2/wrf_netcdf_mod.F\n mcip2/xvars_mod.F\n\n\n- Added ASCII file that includes calling tree for MCIP.\n\n New file: doc/CODE_STRUCTURE\n\n\n- Updated frequently asked questions list.\n\n Changed file: doc/FAQ\n\n\n- Updated version stamp.\n\n Changed file: mcip2/vstamp.F\n\n--------------------------------------------------------------------------------\n\nMCIP Version 3.1 (27 February 2006)\n\n- Updated calculation of dry deposition velocities for elemental mercury (Hg0)\n in M3Dry.\n\n Changed files: mcip2/alloc_depv.F\n mcip2/dealloc_depv.F\n mcip2/depvvars_mod.F\n mcip2/m3dry.F\n\n\n- Changed tolerances on calculation of grid origin for WRF so that the grid\n center is not restricted to a cell corner.\n\n Changed file: mcip2/setgriddefs.F\n\n\n- Updated code for vertical coordinate definitions for WRF.\n\n Changed files: mcip2/parms3_mod.F\n mcip2/setgriddefs.F\n\n\n- Corrected setting of I/O API grid definition for Mercator projection.\n\n Changed file: mcip2/setgriddefs.F\n\n\n- Updated script to correctly set namelist end string for Mac running\n XLF compiler.\n\n Changed file: mcip2/run.mcip\n\n\n- Removed unused \"USE\" statement.\n\n Changed file: mcip2/dynflds.F\n\n\n- Updated frequently asked questions list.\n\n Changed file: doc/FAQ\n\n\n- Updated version stamp.\n\n Changed file: mcip2/vstamp.F\n\n--------------------------------------------------------------------------------\n\nMCIP Version 3.0 (19 August 2005)\n\n- Added processing of meteorological fields from WRF-EM (i.e., WRF-ARW or NCAR\n core).\n\n Changed files: mcip2/alloc_met.F\n mcip2/alloc_x.F\n mcip2/dealloc_met.F\n mcip2/dealloc_x.F\n mcip2/getmet.F\n mcip2/init_met.F\n mcip2/init_x.F\n mcip2/m3dry.F\n mcip2/mcip.F\n mcip2/mcoutcom_mod.F\n mcip2/metgrid2ctm.F\n mcip2/metinfo_mod.F\n mcip2/metvars_mod.F\n mcip2/metvars2ctm.F\n mcip2/pblpkg.F\n mcip2/pblsup.F\n mcip2/radmdry.F\n mcip2/setgriddefs.F\n mcip2/statflds.F\n\n New files: mcip2/rdwrfem.F\n mcip2/setup.F\n mcip2/setup_wrfem.F\n mcip2/vertnhy_wrf.F\n mcip2/wrf_netcdf_mod.F\n mcip2/xxyy.F\n\n Deleted files: mcip2/setupmm5.F\n\n\n- Renamed subroutines to make code more general.\n\n New files: mcip2/setup_mm5v2.F\n mcip2/setup_mm5v3.F\n\n Deleted files: mcip2/setupv2.F\n mcip2/setupv3.F\n\n\n- Added options to M3Dry for processing dry deposition species for chlorine\n and mercury. Moved setup of dry deposition arrays to separate routines.\n Removed pointers to dry deposition species names.\n\n Changed files: mcip2/alloc_x.F\n mcip2/dealloc_x.F\n mcip2/dynflds.F\n mcip2/hlconst.F\n mcip2/init_x.F\n mcip2/m3dry.F\n mcip2/mcip.F\n mcip2/mcipparm_mod.F\n mcip2/mcoutcom_mod.F\n mcip2/metcro.F\n mcip2/radmdry.F\n mcip2/readnml.F\n mcip2/setgriddefs.F\n mcip2/xvars_mod.F\n mcip2/run.mcip\n\n New files: mcip2/alloc_depv.F\n mcip2/dealloc_depv.F\n mcip2/depvvars_mod.F\n mcip2/init_depv.F\n\n\n- Added capability to process and use fractional land use fields from\n MM5v3, if they are available in separate input file. Allow fractional\n land use to be used in RADMDry. Added optional output field, percent\n urban area (PURB), to GRIDCRO2D.\n\n Changed files: mcip2/alloc_ctm.F\n mcip2/alloc_met.F\n mcip2/alloc_x.F\n mcip2/dealloc_ctm.F\n mcip2/dealloc_met.F\n mcip2/dealloc_x.F\n mcip2/file_mod.F\n mcip2/getluse.F\n mcip2/gridout.F\n mcip2/groutcom_mod.F\n mcip2/init_met.F\n mcip2/init_x.F\n mcip2/mcipparm_mod.F\n mcip2/rdmm5v3.F\n mcip2/readnml.F\n mcip2/setup_mm5v3.F\n mcip2/xvars_mod.F\n mcip2/run.mcip\n\n New files: mcip2/readter.F\n\n\n- Corrected settings for Southern Hemisphere seasons and other calculations\n for Southern Hemisphere domains.\n\n Changed files: mcip2/gridgeometry.F\n mcip2/mcipparm_mod.F\n mcip2/pblpkg.F\n mcip2/pblsup.F\n mcip2/radmdry.F\n mcip2/setup_mm5v2.F\n mcip2/setup_mm5v3.F\n mcip2/sfcflux.F\n\n\n- Added option to use all layers from input meteorology as MCIP output\n without specifying list a priori.\n\n Changed files: mcip2/mcipparm_mod.F\n mcip2/readnml.F\n mcip2/setup_mm5v2.F\n mcip2/setup_mm5v3.F\n mcip2/run.mcip\n\n\n- Added check to ensure settings in I/O API library are consistent with\n settings in modules in MCIP. Requires I/O API v3.0.\n\n Changed files: mcip2/init_io.F\n\n\n- Changed calculations of 3D transport winds (UHAT_JD, VHAT_JD, and WHAT_JD)\n and PBL variables to use winds and map-scale factors with fewer interpolation\n steps to better reflect fields from input meteorology model.\n\n Changed files: mcip2/alloc_x.F\n mcip2/dealloc_x.F\n mcip2/init_x.F\n mcip2/metdot.F\n mcip2/metvars2ctm.F\n mcip2/pblpkg.F\n mcip2/pblsup.F\n mcip2/verthyd.F\n mcip2/vertnhy.F\n mcip2/xvars_mod.F\n\n\n- Updated calculation of layer heights for non-hydrostatic MM5 to use formulae\n defined by NCAR for MM5 base state rather than subroutine LAYHT.\n\n Changed file: mcip2/refstate.F\n\n\n- Removed GRIDCRO3D for hydrostatic runs.\n\n Changed files: mcip2/alloc_ctm.F\n mcip2/dealloc_ctm.F\n mcip2/gridout.F\n\n\n- Added optimization to extracting fields from input meteorology onto\n internal MCIP \"X\" arrays.\n\n Changed files: mcip2/getluse.F\n mcip2/metgrid2ctm.F\n mcip2/metvars2ctm.F\n\n\n- Several minor adjustments to RADM dry deposition and variable\n filling, including a provision to prevent negative dry deposition\n velocities from occurring in output.\n\n Changed files: mcip2/radmdry.F\n\n\n- Changed index order on arrays read from meteorology files to be\n Cartesian (X,Y,Z) with origin at surface and southwest corner\n rather than use MM5 convention (Y,X,Z) to make code more general.\n Changed namelist variables I0 and J0 to Y0 and X0, respectively.\n\n Changed files: mcip2/alloc_met.F\n mcip2/getluse.F\n mcip2/gridgeometry.F\n mcip2/metgrid2ctm.F\n mcip2/metinfo_mod.F\n mcip2/metvars2ctm.F\n mcip2/rdmm5v2.F\n mcip2/rdmm5v3.F\n mcip2/readnml.F\n mcip2/setgriddefs.F\n mcip2/setup_mm5v2.F\n mcip2/setup_mm5v3.F\n mcip2/run.mcip.F\n\n\n- Changed maximum number of meteorology input files from 5 to 100.\n\n Changed files: mcip2/file_mod.F\n mcip2/readnmlF\n mcip2/run.mcip\n\n\n- Updated double-precision declarations to F90 standard.\n\n Changed files: mcip2/const_mod.F\n mcip2/coord_mod.F\n\n\n- Consolidated extracting state variables from input meteorology\n onto internal MCIP \"X\" grid.\n\n Changed file: mcip2/metvars2ctm.F\n\n Deleted file: mcip2/met3dsup.F\n\n\n- Removed option to use interpolation with rational functions for\n layer collapsing.\n\n Changed files: mcip2/collapx.F\n mcip2/gridout.F\n mcip2/metcro.F\n mcip2/metdot.F\n\n Deleted file: mcip2/ratint.F\n\n\n- Made minor correction to calculation of theta-v-star.\n\n Changed files: mcip2/pblsup.F\n\n\n- Added option to use 10-m wind components if they are available from\n input meteorology file to fill output fields for 10-m wind speed\n and 10-m wind direction.\n\n Changed files: mcip2/alloc_met.F\n mcip2/alloc_x.F\n mcip2/dealloc_met.F\n mcip2/dealloc_x.F\n mcip2/init_met.F\n mcip2/init_x.F\n mcip2/metinfo_mod.F\n mcip2/metvar2ctm.F\n mcip2/pblsup.F\n mcip2/rdmm5v3.F\n mcip2/setup_mm5v2.F\n mcip2/setup_mm5v3.F\n\n\n- Changed variable names to avoid confusion with F90 intrinsic functions.\n\n Changed files: mcip2/date_pack_mod.F\n mcip2/gridout.F\n mcip2/metcro.F\n mcip2/metdot.F\n mcip2/metvars2ctm.F\n mcip2/rdmm5v2.F\n mcip2/rdmm5v3.F\n mcip2/setup_mm5v2.F\n mcip2/setup_mm5v3.F\n mcip2/statflds.F\n\n\n- Removed option to interpolate input meteorology fields to finer\n horizontal grid spacing (in favor of adding code efficiencies).\n Modified output file names in environment variables by removing\n \"_G1\" to reflect this change.\n\n Changed files: mcip2/file_mod.F\n mcip2/getluse.F\n mcip2/gridout.F\n mcip2/mcipparm_mod.F\n mcip2/metcro.F\n mcip2/metdot.F\n mcip2/metgrid2ctm.F\n mcip2/metvars2ctm.F\n mcip2/readnml.F\n mcip2/setgriddefs.F\n mcip2/run.mcip\n\n Deleted files: mcip2/bilin2d.F\n mcip2/bilin3d.F\n\n\n- Removed several unused variables.\n\n Changed files: mcip2/alloc_met.F\n mcip2/alloc_x.F\n mcip2/dealloc_met.F\n mcip2/dealloc_x.F\n mcip2/file_mod.F\n mcip2/init_met.F\n mcip2/init_x.F\n mcip2/mcipparm_mod.F\n mcip2/metinfo_mod.F\n mcip2/metvars2ctm.F\n mcip2/metvars_mod.F\n mcip2/rdmm5v2.F\n mcip2/rdmm5v3.F\n mcip2/readnml.F\n mcip2/refstate.F\n mcip2/resistcalc.F\n mcip2/setgriddefs.F\n mcip2/sfcflux.F\n mcip2/slflux.F\n mcip2/xvars_mod.F\n\n\n- Updated compiler options for IBM and PGF90. Added compiler options\n for Intel. Removed compiler options for SGI and Sun.\n\n Changed file: mcip2/Makefile\n\n\n- Created list of frequently asked questions for user self-help.\n\n New file: doc/FAQ\n\n\n- Updated version stamp.\n\n Changed files: mcip2/vstamp.F\n\n--------------------------------------------------------------------------------\n\nMCIP Version 2.3 (18 August 2004)\n\n- Added processing of hydrometeor field, graupel.\n\n Changed files: mcip2/alloc_ctm.F\n mcip2/alloc_met.F\n mcip2/alloc_x.F\n mcip2/dealloc_ctm.F\n mcip2/dealloc_met.F\n mcip2/dealloc_x.F\n mcip2/init_met.F\n mcip2/init_x.F\n mcip2/mcoutcom_mod.F\n mcip2/metcro.F\n mcip2/metvars_mod.F\n mcip2/metvars2ctm.F\n mcip2/null_x.F\n mcip2/rdmm5v2.F\n mcip2/rdmm5v3.F\n mcip2/xvars_mod.F\n\n\n- Added work-around to account for NCAR bug in processing vegetation\n fraction for the Pleim-Xiu land-surface model. The bug was introduced\n in MM5 in MM5v3.5 and was corrected in MM5v3.6.2.\n\n Changed files: mcip2/alloc_met.F\n mcip2/dealloc_met.F\n mcip2/init_met.F\n mcip2/m3dry.F\n mcip2/metvars_mod.F\n mcip2/rdmm5v3.F\n\n\n- Corrected minor formatting bugs in GRIDDESC output file.\n\n Changed files: mcip2/wrgdesc.F\n\n\n- Added provision to set minimum PBL heights when Mellor-Yamada (Eta)\n PBL scheme is used in MM5.\n\n Changed files: mcip2/pblsup.F\n\n\n- Restored GRIDBDY2D file to output.\n\n Changed files: mcip2/alloc_ctm.F\n mcip2/dealloc_ctm.F\n mcip2/file_mod.F\n mcip2/gridout.F\n mcip2/groutcom_mod.F\n mcip2/run.mcip\n\n\n- Added initialization of I/O API.\n\n Changed files: mcip2/mcip.F\n mcip2/Makefile\n\n New files: mcip2/init_io.F\n\n\n- Restored full Jacobian (JACOBF and JACOBS) to output.\n\n Changed files: mcip2/alloc_ctm.F\n mcip2/dealloc_ctm.F\n mcip2/mcoutcom_mod.F\n mcip2/metcro.F\n\n\n- Added flag to create static output (GRID) files.\n\n Changed files: mcip2/file_mod.F\n mcip2/mcip.F\n mcip2/readnml.F\n mcip2/run.mcip\n\n\n- Modified error-checking for restart files to ensure that there\n is no physical discontinuity.\n\n Changed files: mcip2/rdmm5v3.F\n\n\n- Added Henry's Law constants for new species to be consistent with\n latest version in CMAQ.\n\n Changed files: mcip2/hlconst.F\n\n\n- Refined error-checking that prevents users from defining thinner\n top and/or bottom layers than available in MM5 output.\n\n Changed files: mcip2/statflds.F\n\n\n- Removed bookkeeping XFLAGS and associated variables XNAMES and XINDEX\n including pointers to XINDEX.\n\n Changed files: mcip2/alloc_x.F\n mcip2/bcldprc_ak.F\n mcip2/dealloc_x.F\n mcip2/getluse.F\n mcip2/init_x.F\n mcip2/m3dry.F\n mcip2/mcipparm_mod.F\n mcip2/met3dsup.F\n mcip2/metgrid2ctm.F\n mcip2/metvars2ctm.F\n mcip2/pblpkg.F\n mcip2/pblsup.F\n mcip2/radmdry.F\n mcip2/refstate.F\n mcip2/resistcalc.F\n mcip2/solar.F\n mcip2/xvars_mod.F\n\n Deleted files: mcip2/null_x.F\n\n\n- Eliminated type mismatches flagged by compiler in debug mode by\n adding interface block for obscure, unused routine.\n\n Changed files: mcip2/collapx.F\n\n\n- Eliminated support for NT version of MCIP.\n\n Deleted files: mcip2/Makefile.nt\n mcip2/run_mcip.bat\n\n\n- Updated modules that support I/O API.\n\n Changed files: mcip2/iodecl3_mod.F\n mcip2/parms3_mod.F\n\n\n- Changed local array allocation to occur only on initial call to subroutine\n to avoid memory fragmentation.\n\n Changed files: mcip2/bcldprc_ak.F\n mcip2/getpblht.F\n mcip2/gridout.F\n mcip2/met3dsup.F\n mcip2/metcro.F\n mcip2/metdot.F\n mcip2/pblpkg.F\n mcip2/pblsup.F\n mcip2/radmdry.F\n mcip2/rdmm5v2.F\n mcip2/rdmm5v3.F\n mcip2/verthyd.F\n\n\n- Corrected header settings for polar stereographic and Mercator projections.\n\n Changed files: mcip2/rdmm5v2.F\n mcip2/rdmm5v3.F\n mcip2/setgriddefs.F\n mcip2/setupv2.F\n mcip2/setupv3.F\n\n\n- Modified code so that arrays are made available in output only if user\n options in MM5 generate those data, e.g., hydrometeor species and variables\n from the Pleim-Xiu land-surface model.\n\n Changed files: mcip2/alloc_ctm.F\n mcip2/dealloc_ctm.F\n mcip2/mcipparm_mod.F\n mcip2/mcoutcom_mod.F\n mcip2/metcro.F\n mcip2/setgriddefs.F\n mcip2/setupv2.F\n mcip2/setupv3.F\n\n\n- Limited calculation of wind speed for initial time (in MM5 file) to the\n cross-point domain.\n\n Changed files: mcip2/pblsup.F\n\n\n- Added provision to define PBL height if bulk Richardson number suggests\n it should be the lowest model layer.\n\n Changed files: mcip2/getpblht.F\n\n\n- Modified code to handle MM5's IFSNOW=2 option which creates WEASD instead\n of SNOWCOVR.\n\n Changed files: mcip2/metinfo_mod.F\n mcip2/rdmm5v3.F\n mcip2/setupv2.F\n mcip2/setupv3.F\n\n\n- Clean up unused variables.\n\n Changed files: mcip2/metinfo_mod.F\n mcip2/pblsup.F\n mcip2/setupv2.F\n mcip2/setupv3.F\n mcip2/sfclayer.F\n\n\n- Added 10-m wind speed and direction to output. Changed XWIND10 to\n XWSPD10.\n\n Changed files: mcip2/Makefile\n mcip2/alloc_ctm.F\n mcip2/alloc_x.F\n mcip2/dealloc_ctm.F\n mcip2/dealloc_x.F\n mcip2/init_x.F\n mcip2/m3dry.F\n mcip2/mcoutcom_mod.F\n mcip2/metcro.F\n mcip2/metinfo_mod.F\n mcip2/pblpkg.F\n mcip2/pblsup.F\n mcip2/setupv2.F\n mcip2/setupv3.F\n mcip2/xvars_mod.F\n\n New files: mcip2/wind.F\n\n\n- Added explicit calculation of dot-point latitude, longitude, and\n map-scale factors based on grid geometry.\n\n Changed files: mcip2/metinfo_mod.F\n mcip2/rdmm5v2.F\n mcip2/rdmm5v3.F\n mcip2/setupv2.F\n mcip2/setupv3.F\n\n New files: mcip2/gridgeometry.F\n\n\n- Added 2-m temperature (TEMP2) to be passed through from MM5, if\n it is available there.\n\n Changed files: mcip2/alloc_ctm.F\n mcip2/alloc_met.F\n mcip2/alloc_x.F\n mcip2/dealloc_ctm.F\n mcip2/dealloc_met.F\n mcip2/dealloc_x.F\n mcip2/init_met.F\n mcip2/init_x.F\n mcip2/mcipparm_mod.F\n mcip2/mcoutcom_mod.F\n mcip2/metcro.F\n mcip2/metinfo_mod.F\n mcip2/metvars_mod.F\n mcip2/metvars2ctm.F\n mcip2/rdmm5v3.F\n mcip2/setgriddefs.F\n mcip2/setupv2.F\n mcip2/setupv3.F\n mcip2/xvars_mod.F\n\n\n- Added leaf-area index from the Pleim-Xiu LSM to output.\n\n Changed files: mcip2/alloc_ctm.F\n mcip2/dealloc_ctm.F\n mcip2/mcoutcom_mod.F\n mcip2/metcro.F\n\n\n- Removed obsolete land-use input options.\n\n Changed files: mcip2/alloc_x.F\n mcip2/dealloc_x.F\n mcip2/getluse.F\n mcip2/lradmdat_mod.F\n mcip2/mcipparm_mod.F\n mcip2/readnml.F\n mcip2/setgriddefs.F\n mcip2/xvars_mod.F\n\n Deleted files: mcip2/lutrans1.F\n mcip2/lutrans2.F\n mcip2/lutrans3.F\n mcip2/lutrans4.F\n mcip2/lutrans5.F\n mcip2/lutrans6.F\n\n\n- Updated version stamp.\n\n Changed files: mcip2/vstamp.F\n\n--------------------------------------------------------------------------------\n\nMCIP Version 2.2 (11 June 2003)\n\n- Improved dry deposition algorithms, particularly for winter cases.\n In M3DRY, added explicit resistance to snow and ice with dependence\n on temperature; modified cuticle resistance for NH3 as function of\n relative humidity; and added wet ground similarly to wet canopy.\n\n Changed files: mcip2/m3dry.F\n mcip2/radmdry.F\n mcip2/Makefile\n mcip2/Makefile.nt\n\n New file: mcip2/hlconst.F\n\n\n- Added three new dry deposition species: N2O5, NO3, and generic\n aldehyde.\n\n Changed files: mcip2/alloc_x.F\n mcip2/init_x.F\n mcip2/m3dry.F\n mcip2/mcipparm_mod.F\n mcip2/null_x.F\n mcip2/radmdry.F\n mcip2/xvars_mod.F\n\n\n- Added snow cover field to input and output to support winter dry\n deposition algorithms.\n\n Changed files: mcip2/alloc_ctm.F\n mcip2/alloc_met.F\n mcip2/alloc_x.F\n mcip2/dealloc_ctm.F\n mcip2/dealloc_met.F\n mcip2/dealloc_x.F\n mcip2/init_met.F\n mcip2/init_x.F\n mcip2/mcoutcom_mod.F\n mcip2/metcro.F\n mcip2/metvars_mod.F\n mcip2/metvars2ctm.F\n mcip2/null_x.F\n mcip2/rdmm5v2.F\n mcip2/rdmm5v3.F\n mcip2/xvars_mod.F\n\n\n- Changed definition of F2 (for resistance calculations) to be based\n on land use category to improve resistance calculations for M3DRY\n when Pleim-Xiu land-surface model is not run.\n\n Changed files: mcip2/alloc_x.F\n mcip2/dealloc_x.F\n mcip2/init_x.F\n mcip2/metinfo_mod.F\n mcip2/metvars2ctm.F\n mcip2/null_x.F\n mcip2/rdmm5v2.F\n mcip2/rdmm5v3.F\n mcip2/resistcalc.F\n mcip2/xvars_mod.F\n\n\n- Corrected algorithm to calculate W in the PSRATE calculation for\n hydrostatic vertical velocity.\n\n Changed files: mcip2/verthyd.F\n\n\n- Commented out the need for PBL variables on input if they are set\n to be rediagnosed (for compatibility with MM5v2.6 and prior\n releases.\n\n Changed files: mcip2/rdmm5v2.F\n\n\n- Restricted output vertical structure so that layer collapsing is\n not used to create a thinner lowest or top layer than input\n meteorology.\n\n Changed files: mcip2/statflds.F\n\n\n- Removed GRIDBDY2D, GRIDBDY3D, and METBDY2D from output. Removed\n dry deposition species, ATRA and ATRAP, from output. Removed\n several other extraneous variables from output.\n\n Changed files: mcip2/alloc_ctm.F\n mcip2/alloc_x.F\n mcip2/dealloc_ctm.F\n mcip2/file_mod.F\n mcip2/gridout.F\n mcip2/groutcom_mod.F\n mcip2/init_x.F\n mcip2/m3dry.F\n mcip2/mcipparm_mod.F\n mcip2/mcoutcom_mod.F\n mcip2/metcro.F\n mcip2/null_x.F\n mcip2/radmdry.F\n mcip2/run.mcip\n mcip2/run_mcip.bat\n mcip2/xvars_mod.F\n\n\n- Clarified instructions on setting BTRIM, I0, and J0 in script. Removed\n links to GRIDBDY2D, GRIDBDY3D, and METBDY2D.\n\n Changed files: mcip2/run.mcip\n mcip2/run_mcip.bat\n\n\n- Updated version stamp.\n\n Changed files: mcip2/vstamp.F\n\n--------------------------------------------------------------------------------\n\nMCIP Version 2.1 (27 March 2003)\n\n- Added calculation of mid-layer density using virtual temperature.\n\n Changed files: mcip2/met3dsup.F\n\n\n- Corrected bugs in calculations of UHAT_S and VHAT_T: added calls to\n COLLAPX for XUHAT and XVHAT, and fixed algorithm to translate from dot\n points to square and triangle points (Arakawa B grid to Arakawa C grid).\n Also changed COLLAPX calls for UHAT_S and VHAT_T to be on winds coupled\n with density and Jacobian for better mass conservation.\n\n Changed files: mcip2/metdot.F\n\n\n- Corrected calculation of WGHT_TOP and WGHT_BOT that is used to get\n WHAT_JD_C and WHAT_JD_B on full levels. Removed extraneous calculation\n of X3MIDL. Changed calls to COLLAPX to be on Jacobian coupled with\n density instead of just Jacobian for better mass conservation. Changed\n subsequent calculations of output variables based on Jacobian.\n\n Changed files: mcip2/metcro.F\n\n\n- Corrected calculation of weights used for vertical interpolation to\n full levels. Corrected algorithm to calculate XWHAT from XUHAT and\n XVHAT.\n\n Changed files: mcip2/vertnhy.F\n\n\n- Modified definitions of XORIG_GD and YORIG_GD to minimize real number\n round-off issues which can cause header mismatches in CMAQ. Added\n double precision attributes to variables assigned to I/O API header.\n\n Changed files: mcip2/setgriddefs.F\n\n\n- Removed unused variable JDRATE from code and from METCRO3D.\n\n Changed files: mcip2/alloc_ctm.F\n mcip2/alloc_x.F\n mcip2/dealloc_ctm.F\n mcip2/dealloc_x.F\n mcip2/init_x.F\n mcip2/mcoutcom_mod.F\n mcip2/metcro.F\n mcip2/null_x.F\n mcip2/verthyd.F\n mcip2/xvars_mod.F\n\n\n- Simplified algorithm to map input meteorology to MCIP_X domain.\n\n Changed files: mcip2/lutrans3.F\n mcip2/metgrid2ctm.F\n mcip2/metvars2ctm.F\n\n\n- Expanded MCIP_X domain dot-point arrays to (NCOLS_X+1, NROWS_X+1).\n Changed supporting code to reflect new dimensions.\n\n Changed files: mcip2/alloc_x.F\n mcip2/met3dsup.F\n mcip2/metdot.F\n mcip2/metgrid2ctm.F\n mcip2/metvars2ctm.F\n mcip2/pblpkg.F\n mcip2/pblsup.F\n mcip2/vertnhy.F\n\n\n- Constrained calculation of non-PBL parameters with user option LRAD\n in the PBL rediagnosis routine.\n\n Changed files: mcip2/pblpkg.F\n\n\n- Updated version stamp.\n\n Changed files: mcip2/vstamp.F\n\n--------------------------------------------------------------------------------\n\nMCIP Version 2.0 (19 March 2002)\n\n- Added temperature dependence to Henry's Law constants in Models-3\n dry deposition scheme. Added temperature and pressure dependence\n to diffusivity in Models-3 dry deposition scheme. Changed the\n reference wet cuticle resistance.\n\n Changed files: BLD/m3dry.F\n\n\n- Added dry deposition velocity for new species, methanol.\n\n Changed files: BLD/alloc_x.F\n BLD/init_x.F\n BLD/m3dry.F\n BLD/mcipparm_mod.F\n BLD/null_x.F\n BLD/radmdry.F\n BLD/xvars_mod.F\n\n\n- Corrected error in translation between input domain and MCIP \"X\"\n domain. (Error from MCIP Version 1.) This routine was over-looked\n in correction of this bug in second beta release.\n\n Changed files: BLD/lutrans3.F\n\n\n- Made minor changes to improve portability of code including re-ordering\n variable declarations and changing file access from Fortran unit numbers\n to explicit file names.\n\n Changed files: run.mcip\n BLD/bilin2d.F\n BLD/bilin3d.F\n BLD/file_mod.F\n BLD/getgist.F\n BLD/metgrid2ctm.F\n BLD/metvars2ctm.F\n BLD/rdmm5v2.F\n BLD/rdmm5v3.F\n BLD/readnml.F\n BLD/setupmm5.F\n BLD/wrgdesc.F\n\n\n- Added missing explicit variable declarations.\n\n Changed files: BLD/resistcalc.F\n\n\n- Allow MM5v2 output from 2000 and beyond to show up correctly in\n date/time stamps.\n\n Changed files: BLD/mdate2hdate.F\n\n\n- Replaced error-exit calls to \"abort\" and \"stop\" statments with calls\n to \"m3exit\" for graceful shut-down of I/O API files. Moved SDATE\n and STIME to new module DATE_TIME.\n\n Changed files: BLD/Makefile\n BLD/close_files.F\n BLD/collapx.F\n BLD/crs2dot.F\n BLD/dynflds.F\n BLD/getgist.F\n BLD/getversion.F\n BLD/getluse.F\n BLD/gridout.F\n BLD/layht.F\n BLD/lutrans1.F\n BLD/lutrans3.F\n BLD/lutrans5.F\n BLD/lutrans6.F\n BLD/mcip.F\n BLD/met3dsup.F\n BLD/metcro.F\n BLD/metdot.F\n BLD/metvars2ctm.F\n BLD/pblpkg.F\n BLD/rdmm5.F\n BLD/rdmm5v2.F\n BLD/rdmm5v3.F\n BLD/readnml.F\n BLD/setgriddefs.F\n BLD/setupmm5.F\n BLD/setupv2.F\n BLD/setupv3.F\n BLD/sfcflux.F\n\n New files: BLD/date_time_mod.F\n BLD/graceful_stop.F\n\n Deleted file: BLD/errmsg.F\n\n\n- Changed logic to define water points using dominant land use category.\n\n Changed files: BLD/m3dry.F\n BLD/resistcalc.F\n\n\n- Created script and Makefile for Windows NT.\n\n New files: run_mcip.bat\n BLD/Makefile.nt\n\n\n- Corrected calculation of PSIM variable.\n\n Changed files: BLD/sfclayer.F\n\n\n- Added basic compiler options for Sun, IBM, Linux, and SGI to Makefile.\n\n Changed files: BLD/Makefile\n\n\n- Generalized the end-of-namelist delimiter in the script.\n\n Changed files: run.mcip\n\n\n- Changed the creation of the GRIDDESC file from a list-directed\n write to a formatted write to improve portability.\n\n Changed files: BLD/wrgdesc.F\n\n\n- Adjusted minimum PBL height to be height of lowest mid-layer rather\n than height of lowest full layer for PBL pass-through option.\n\n Changed files: BLD/getpblht.F\n\n\n- Changed initialization of X-variables from 0.0 to BADVAL3 (a large\n negative number) and changed missing output variables to BADVAL3\n to avoid confusion.\n\n Changed files: BLD/gridout.F\n BLD/init_x.F\n BLD/m3dry.F\n BLD/metcro.F\n BLD/metdot.F\n BLD/metvars2ctm.F\n BLD/pblsup.F\n BLD/radmdry.F\n BLD/resistcalc.F\n BLD/setupv2.F\n BLD/setupv3.F\n\n\n- Removed RIB from output.\n\n Changed files: BLD/alloc_ctm.F\n BLD/dealloc_ctm.F\n BLD/mcoutcom_mod.F\n BLD/metcro.F\n\n\n- Corrected text definition of RSTOMI and SURF2 in MC2VDESC. Corrected units\n of SURF2 in MC2UNITS. Changed QICE and QSNOW to QI and QS to be consistent\n with CCTM.\n\n Changed files: BLD/mcoutcom_mod.F\n\n\n- Renamed SURF2 as WIND10, and SURF1 as TEMP1P5.\n\n Changed files: BLD/alloc_ctm.F\n BLD/alloc_x.F\n BLD/dealloc_ctm.F\n BLD/dealloc_x.F\n BLD/init_x.F\n BLD/mcoutcom_mod.F\n BLD/metcro.F\n BLD/null_x.F\n BLD/pblpkg.F\n BLD/pblsup.F\n BLD/xvars_mod.F\n\n\n- Changed PBL-rediagnosis routine to use constants that are common to the\n rest of the code. In some cases, definitions of constants were either\n made more precise or changed outright to be consistent with other PBL\n rediagnosis routines. This affects TEMP10, TEMP1P5, and WIND10 in the\n PBL rediagnosis options only.\n\n Changed files: BLD/pblpwr.F\n\n\n- Corrected bug that persisted cloud base arrays when clouds had dissipated.\n\n Changed files: BLD/bcldprc_ak.F\n\n\n- Replace GOTO/CONTINUE section of code with DO loop.\n\n Changed files: BLD/sfcflux.F\n\n\n- Removed minimum size for windows.\n\n Changed files: run.mcip\n BLD/readnml.F\n BLD/setgriddefs.F\n\n\n- Added updates to XFLAGS for variables filled in METVARS2CTM.\n\n Changed files: BLD/metvars2ctm.F\n\n\n- Corrected upper bound for DO loop.\n\n Changed files: BLD/locate.F\n\n\n- Changed file names for Fortran 90 modules from \"module_routine_name.F\"\n to \"routine_name_mod.F\".\n\n Changed files: BLD/Makefile (and physical names of all f90 modules)\n\n\n- Updated disclaimer.\n\n Changed files: BLD/*.F\n\n\n- Updated version stamp.\n\n Changed files: BLD/vstamp.F\n\n--------------------------------------------------------------------------------\n\nMCIP Version 2, Beta Release 3 (20 November 2001)\n\n- Corrected setting of XORIG_GD and YORIG_GD which was inadvertently\n changed in beta release 2.\n\n Changed files: BLD/setgriddefs.F\n\n\n- Allow use of MCIP in the absence of input cloud and rain mixing\n ratios, e.g., from MM5 \"warm rain\" scheme.\n\n Changed files: BLD/rdmm5v2.F\n BLD/rdmm5v3.F\n\n\n- Added time stamp for all input time periods read in MM5v2 file.\n\n Changed files: BLD/rdmm5v2.F\n\n\n- Removed \"sanity\" checks.\n\n Changed files: Makefile\n BLD/gridout.F\n BLD/metcro.F\n BLD/metdot.F\n\n Deleted files: BLD/sanity.F\n\n\n- Updated version stamp.\n\n Changed files: BLD/vstamp.F\n\n--------------------------------------------------------------------------------\n\nMCIP Version 2, Beta Release 2 (18 October 2001)\n\n- Corrected calculation of RNET in non-P-X applications to include\n emissivity. (Note that GLW represents a different quantity for\n \"pass-through\" and P-X versions than for recalculation. Variables\n RNET and GLW are not used in any downstream processor.)\n\n Changed files: BLD/metvars2ctm.F\n\n\n- Added ASCII output file GRIDDESC to contain grid description\n information. Added new variable COORDNAM to describe coordinate\n system used in GRIDDESC. GRIDDESC will be used by SMOKE and other\n programs within CMAQ system.\n\n Changed files: run.mcip\n BLD/Makefile\n BLD/mcip.F\n BLD/module_coord.F\n BLD/module_file.F\n BLD/module_mcipparm.F\n BLD/readnml.F\n BLD/setgriddefs.F\n\n New files: BLD/wrgdesc.F\n\n\n- Corrected setting of P_GAM_GD for Lambert conformal maps. Also\n set P_ALP_GD, P_BET_GD, and P_GAM_GD based on map projection.\n\n Changed files: BLD/setgriddefs.F\n BLD/setupv2.F\n BLD/setupv3.F\n\n\n- Added capability to process 24-category land use in MM5v2 files.\n\n Changed files: BLD/rdmm5v2.F\n\n\n- Corrected precipitation calculation in first hour of second, third,\n etc., MM5 input files. Added logic to use multiple output files when\n MM5 option for splitting output is used in MM5v3. Added error-checking\n on header variables for multiple input MM5 files.\n\n Changed files: BLD/rdmm5v2.F\n BLD/rdmm5v3.F\n\n \n- Added windowing capability for the MCIP output sub-domain. Corrected\n definition of grid dimensions based on BTRIM, I0, and J0. Corrected\n print statement regarding end location of window.\n\n Changed files: run.mcip\n BLD/readnml.F\n BLD/setgriddefs.F\n\n\n- Corrected restriction on variables in MET_CRO_3D related to\n epsilon. Added the same restriction to MET_BDY_3D.\n\n Changed files: BLD/metcro.F\n\n\n- Corrected error in translation between input domain and MCIP \"X\"\n domain. (Error from MCIP Version 1.)\n\n Changed files: BLD/metgrid2ctm.F\n BLD/metvars2ctm.F\n\n\n- Updated version stamp.\n\n Changed files: BLD/vstamp.F\n\n--------------------------------------------------------------------------------\n\nMCIP Version 2, Beta Release (21 September 2001)\n\nMCIP Version 2 contains the following new features:\n\n - Entirely re-engineered to be dynamically allocatable. That is,\n grid specifications and user options are run-time input rather\n than compile-time input. A single MCIP executable can be used\n for any input MM5 files without re-compiling. Run-time options\n are communicated via a Fortran namelist that is set from the\n run script.\n\n - Supports both MM5 Version 2 and MM5 Version 3 formatted files.\n The user does not need to specify the format type.\n\n - Includes \"pass-through\" options for PBL and radiation variables.\n\n - Processes output fields from the Pleim-Xiu land-surface model\n in MM5.\n\n - New option for Models-3 (Pleim) dry deposition routine.\n\n - New 3-D output fields for ice and snow mixing ratios.\n\n - New dry deposition velocity fields for atrazine (ATRA) and\n atrazine product (ATRAP).\n\n - New 2-D output fields for soil moisture, soil temperature, and\n soil texture when Pleim-Xiu land-surface model is run.\n\n - Ability to use multiple (e.g., restart) MM5 input files on the\n same execution of MCIP.\n\n - Ability to process MCIP at coarser granularity than input MM5.\n For example, MCIP can generate hourly output if MM5 input is\n every 30 minutes or 15 minutes.\n\n - MCIP calculations only occur for time period selected. (Input\n files must be read to find correct start time, but processing\n through MCIP only occurs on times of interest.)\n\n - Ability to print input and output variables in a user-defined cell.\n\n - Significant clean-up and re-organization of the code has also\n occurred.\n\nBecause of the extent of the revisions to MCIP, some of the features\nin the current release of MCIP were omitted from MCIP Version 2. Some\nof these features will be added at a later time if demand warrants it.\nSome of the features in the current release of MCIP that are NOT\nsupported in MCIP Version 2 at this time include:\n\n - Windowing of sub-domains. (Code is still in place, but has not\n been formally tested.) This capability will be available in\n the next release of the CCTM. {NOTE: Windowing was added back\n into MCIP in Beta Release 2.}\n\n - Input meteorology from existing MCIP files.\n\n - Creating MCIP output at finer horizontal grid spacing than input.\n\n - Use of common \".EXT\" include files consistent with other CMAQ\n programs.\n\n - Use of \"cfg\" file, \"m3bld\", and \"bldit\" script to compile MCIP.\n\n - Extensive use of environment variables to set user definitions.\n" }, { "path": "PREP/mcip/docs/FAQ", "content": "Frequently Asked Questions for MCIP\n\nMCIP Version 5.5 (19 September 2024)\n\nWhat are the changes in this release?\n\n There are only three changes in this release.\n\n 1. MCIP calculates XORIG and YORIG (projection parameters used by the CMAQ\n system) from the projection information used by WRF. Because the math\n calculations can get messy with real and double-precision trigonometry,\n the solutions are inexact. Prior versions of MCIP used a constraint to\n round the XORIG and YORIG to multiples of 500 meters. This constraint was\n introduced several years ago, when most groups were using horizontal grid\n spacings that were evenly divisible by 1 kilometer.\n\n This release changes the constraint on XORIG and YORIG to now be in\n multiples of 5 meters (rather than 500 meters). This change allows domains\n with horizontal grid spacings like 1.333 km and 4.25 km to be handled\n correctly. In addition, there is consistency in XORIG and YORIG values\n across compilers and optimizations.\n\n 2. The WRF physics option tokens were updated for the MCIP metadata to\n reflect new physics introduced between WRFv4.1 and WRFv4.6.\n\n 3. The routine that reads WRF data was updated to remove a redundant\n NF90_OPEN/NF90_CLOSE couplet that slightly slowed the MCIP processing.\n\n\nIs there an MCIPv5.4.1?\n\n No. There were no updates to MCIP in the release of CMAQv5.4.1. MCIP was\n not updated and remained at MCIPv5.4 for both CMAQv5.4 and CMAQv5.4.1.\n\n\nDo I need to update from MCIPv5.3.3 or MCIPv5.4 to work with CMAQv5.5?\n\n Not necessarily. If you are starting new runs with CMAQv5.5, and if you do\n not have MCIP files, then it is recommended that you use MCIPv5.5. However,\n if you have MCIP files processed already *AND* if you are *not* using a \n horizontal grid spacing that is not a multiple of 1 km (e.g., 1.333 km or\n 4.25 km), then you can probably use your older MCIP files.\n\n\nI already pointed out something that needs to be corrected in MCIP, but I\ndo not see the update here. What is going on?\n\n There are a few corrections to MCIP that did not get incorporated into this\n release due to timelines and competing priorities. They are in the queue for\n the next release. Thank you for your patience.\n\n\nMCIP crashed, and I don't understand my error. What should I do?\n\n Clean up the directory with your MCIP executable and compiled object (.o)\n files by using \"make clean\". Then recompile with the debug options turned\n on, ensuring that you have the \"traceback\" or equivalent directive for\n your compiler. Then rerun, and you should have a more meaningful error\n message that may point you to the subroutine and specific line of code\n that is causing your error.\n\n\nI think there is a bug in MCIP. How can I report it?\n\n You can use the CMAS Center Forum to report bugs, get help from the\n community, and communicate with developers. You can use the \"MCIP\"\n category (upper-left corner on the Forum) for issues that are strictly\n related to MCIP. Before opening a new thread on the Forum, please search\n the Forum to see if the issue has already been raised and addressed. If\n not, please open a new thread rather than amending an existing thread.\n https://forum.cmascenter.org \n\n\nWhere can I get more information on the CMAQ system?\n\n Please visit https://www.epa.gov/cmaq \n\n\nWhere can I get training on how to use the CMAQ system?\n\n The CMAS Center provides periodic training on the use and utility of the\n CMAQ system. Please visit https://www.cmascenter.org\n\n\nDo you take user suggestions?\n\n Yes! Please submit them via the CMAS Center Forum\n https://forum.cmascenter.org\n\n--------------------------------------------------------------------------------\n--------------------------------------------------------------------------------\n\nMCIP Version 5.4 (12 September 2022)\n\nWhat are the changes in this release?\n\n None. MCIPv5.4 has not been updated since the previous release (v5.3.3). Note\n that, beginning with version v5.3.3, the versioning of MCIP is aligned with\n the numbering used for CMAQ. Therefore, the MCIP version numbering is\n updated with the release of CMAQv5.4.\n\n--------------------------------------------------------------------------------\n--------------------------------------------------------------------------------\n\nMCIP Version 5.3.3 (16 June 2021)\n\nWhat are the changes in this release?\n\n The changes in MCIPv5.3.3 are summarized in the \"ReleaseNotes\" file and\n in greater detail in the \"CHANGES\" file. Note that the versioning is changed\n with this release to align versions of MCIP with the same numbering used\n for CMAQ.\n\n\nWhat happened to MCIP version 5.1?\n\n MCIP version 5.1 was released with CMAQv5.3, but the FAQ was not updated.\n\n\nWhat happened to MCIP versions 5.2 and 5.3?\n\n Those versions do not exist. After MCIPv5.1, we decided to keep the version\n numbering for MCIP consistent with the CMAQ system to minimize confusion.\n Accordingly, we skip from MCIPv5.1 to MCIPv5.3.3 in the public releases on\n GitHub.\n\n\nDo I need to update from MCIPv5.1 to MCIPv5.3.3?\n\n Maybe. There are very minor changes between these releases, but there are\n a handful of minor bug fixes that are addressed with this release. Please\n read the \"CHANGES\" file to determine if those bugs apply to your work.\n\n\nMCIP crashed, and I don't understand my error. What should I do?\n\n Clean up the directory with your MCIP executable and compiled object (.o)\n files by using \"make clean\". Then recompile with the debug options turned\n on, ensuring that you have the \"traceback\" or equivalent directive for\n your compiler. Then rerun, and you should have a more meaningful error\n message that may point you to the subroutine and specific line of code\n that is causing your error.\n\n\nI think there is a bug in MCIP. How can I report it?\n\n You can use the CMAS Center Forum to report bugs, get help from the\n community, and communicate with developers. You can use the \"MCIP\"\n category (upper-left corner on the Forum) for issues that are strictly\n related to MCIP. Before opening a new thread on the Forum, please search\n the Forum to see if the issue has already been raised and addressed. If\n not, please open a new thread rather than amending an existing thread.\n\n\nWhere can I get more information on the CMAQ system?\n\n Please visit www.epa.gov/cmaq.\n\n\nWhere can I get training on how to use the CMAQ system?\n\n The CMAS Center provides periodic training on the use and utility of the\n CMAQ system. Please visit www.cmascenter.org.\n\n\nDo you take user suggestions?\n\n Yes! Please submit them via the CMAS Center Forum.\n\n--------------------------------------------------------------------------------\n--------------------------------------------------------------------------------\n\nMCIP Version 5.0 (20 June 2019)\n\n\nWhat are the changes in MCIPv5.0?\n\n The changes in MCIPv5.0 are summarized in the \"ReleaseNotes\" file and in\n greater detail in the \"CHANGES\" file. You will need to use I/O API v3.1\n or v3.2 with this release, and you will use the netCDF F90 module rather\n than the netCDF F77 include.\n\n\nDo I need to update to MCIPv5.0?\n\n It is entirely up to you. Updating is required if you are using\n ANY of the following:\n - CMAQv5.3\n - WRFv4.0+\n - WRF with hybrid vertical coordinates\n\n\nDo I need to update my script from MCIPv4.5 to MCIPv5.0?\n\n Yes. If you want to use MCIPv5.0, you need to use the new script because the\n input namelist has changed.\n\n\nCan I use netCDF 4 with MCIP?\n\n Yes.\n\n\nWill MCIP work on a Mac?\n\n Yes. It has been tested with Intel Fortran and gfortran.\n\n\nCan I still use MM5v3 data in MCIPv5.0?\n\n No. It was eliminated in MCIPv5.0.\n\n\nDo I need to update to MCIPv5.0 to use CMAQv5.3?\n\n Yes.\n\n\nIf I run the two-way-coupled WRF-CMAQ system (available with CMAQv5.3), do\nI need to run MCIP?\n\n No. The functionality of MCIP is handled within the two-way-coupled WRF-CMAQ\n system in AQPREP.\n\n\nCan I run MCIP on multiple processors?\n\n No. MCIP is not a parallel code. Because there is so much time spent\n reading and writing data, MCIP probably would be I/O bound and would not\n scale well across multiple processors.\n\n\nWhy do I need I/O API v3.1 or v3.2 for MCIPv5.0?\n\n The I/O API include files PARMS3.EXT, FDESC3.EXT, and IODECL3.EXT have been\n encapsulated in the I/O API module M3UTILIO. Using this module will\n reduce user errors that had been associated with changes to I/O API parameters\n in I/O API but not in the CMAQ system codes themselves. It helps protect\n users like you!\n\n\nWhy do I need to use the netCDF F90 module instead of including the netCDF\nF77 include file?\n\n MCIP relies on the F90 netCDF functions and routines rather than the\n F77 versions. Reading netCDF files under F90 is greatly simplified.\n\n\nHow can I find out what model/version/options/MCIP I used for my MCIP output?\n\n Check out the metadata that is included in the I/O API headers of MCIP output\n files. Use the command \"ncdump -h \", and see the character field\n FILEDESC that is part of the I/O API header (near the end). That field has\n been filled for MCIP since MCIPv3.3. It is best viewed on a terminal of\n 80-character width. It is also echoed at the end of the MCIP log file.\n\n\nI'm publishing a paper and I want to cite MCIP. What reference should I use?\n\n In general, the citable reference for MCIP is Otte and Pleim (2010):\n\n Otte, T. L., and J. E. Pleim, 2010. The Meteorology-Chemistry Interface\n Processor (MCIP) for the CMAQ modeling system: updates through\n MCIPv3.4.1. Geoscientific Model Development, 3, 243-256.\n\n A DOI will also be available for CMAQv5.3 (which includes MCIPv5.0).\n\n\nCan I use the netCDF MCIP output with the rest of the CMAQ system?\n\n Not yet. However, you can visualize the file in Verdi 2.0 and use various\n netCDF tools to manipulate the file.\n\n\nMCIP is not compiling properly. Can you help?\n\n MCIP must be compiled to include the netCDF Fortran 90 module, as well as\n the I/O API library. All three of these elements (MCIP, netCDF, and I/O API)\n *MUST* be compiled with the same Fortran compiler. That is, you cannot mix\n and match libraries compiled with gfortran with source code compiled with\n the Intel compiler.\n\n The three elements must be compiled sequentially so that the same versions\n of the libraries are used consistently. Build netCDF first, then include\n that version of netCDF into the compile of I/O API, then use both to build\n MCIP.\n\n MCIP is not a parallel code; it only runs on a single processor. Errors in\n the compile that are related to \"mpi\" mean there is a mismatch in the version\n of the Fortran compiler used among netCDF, I/O API, and MCIP.\n\n\nWhere can I get help on MCIP-related issues?\n\n The CMAS Center hosts an online Forum to address issues related to software\n in the CMAQ system. The MCIP Category is dedicated to MCIP-related issues,\n and it can be found at: https://forum.cmascenter.org/c/mcip.\n\n Before creating a new Topic (thread) in the MCIP Category, users are strongly\n encouraged to search previous entries to determine if other users have\n reported similar issues, and if a solution has been posted.\n\n Prior to the launch of the Forum, users submitted discussion through the\n listserv \"m3user\". That listserv is deprecated in favor of the Forum.\n However, discussions in \"m3user\" can be accessed and searched from the\n archive at https://lists.unc.edu/read/?forum=m3user.\n\n\nDo you take user suggestions?\n\n All user suggestions are considered, but not all are accepted.\n\n--------------------------------------------------------------------------------\n--------------------------------------------------------------------------------\n\nMCIP Version 4.0 (9 September 2011)\n\n\nWhat are the changes in MCIPv4.0?\n\n The changes in MCIPv4.0 are summarized in the \"ReleaseNotes\" file and in\n greater detail in the \"CHANGES\" file. You will need to use I/O API v3.1\n with this release, and you will use the netCDF F90 module rather than the\n netCDF F77 include.\n\n\nDo I need to update to MCIPv4.0?\n\n It is entirely up to you. Updating is strongly recommended if you are using\n ANY of the following:\n - WRF\n - polar stereographic projection\n - horizontal grid spacing of 8 km or smaller\n - new option for albedo in CMAQv5.0 that depends on sea ice array\n\n\nDo I need to update my script from MCIPv3.6 to MCIPv4.0?\n\n If you want to use MCIPv4.0, you need to use the new script because the\n input namelist has changed. There have also been some minor bug fixes in the\n script.\n\n\nCan I use netCDF 4 with MCIP?\n\n Yes.\n\n\nWill MCIP work on a Mac?\n\n Yes. It has been tested with Intel Fortran and gfortran.\n\n\nCan I still use MM5v3 data in MCIPv4.0?\n\n Yes.\n\n\nDo I need to update to MCIPv4.0 to use CMAQv5.0?\n\n Probably not, but it's a good idea. See comments about v4.0 update, above.\n\n\nIf I run the two-way-coupled WRF-CMAQ system (available with CMAQv5.0), do\nI need to run MCIP?\n\n No. The functionality of MCIP is handled within the two-way-coupled WRF-CMAQ\n system in AQPREP.\n\n\nWhy do I need I/O API v3.1 for MCIPv4.0?\n\n The I/O API include files PARMS3.EXT, FDESC3.EXT, and IODECL3.EXT have been\n encapsulated in the I/O API v3.1 module M3UTILIO. Using this module will\n reduce user errors that had been associated with changes to I/O API parameters\n in I/O API but not in the CMAQ system codes themselves. It helps protect\n users like you!\n\n\nWhy do I need to use the netCDF F90 module instead of including the netCDF\nF77 include file?\n\n MCIP now relies on the F90 netCDF functions and routines rather than the\n F77 versions. Reading netCDF files under F90 is greatly simplified.\n\n\nWhy did you change all of the error handling?\n\n The error messages from netCDF-related errors have been made more explicit\n to parrot back the text version of the error rather than the integer error\n code. In addition, removing line numbers was part of compliance with the\n Fortran 2003 standard.\n\n\nHow can I find out what model/version/options/MCIP I used for my MCIP output?\n\n Check out the metadata that is included in the I/O API headers of MCIP output\n files. Use the command \"ncdump -h \", and see the character field\n FILEDESC that is part of the I/O API header (near the end). That field has\n been filled for MCIP since MCIPv3.3. It is best viewed on a terminal of\n 80-character width. It is also echoed at the end of the MCIP log file.\n\n\nDo you take user suggestions?\n\n All user suggestions are considered, but not all are accepted.\n\n--------------------------------------------------------------------------------\n--------------------------------------------------------------------------------\n\nMCIP Version 3.6 (19 March 2010) and Version 3.5 (29 October 2009)\n\n\nWhat are the changes in MCIPv3.6?\n\nThe changes in MCIPv3.6 are listed briefly in the \"ReleaseNotes\" file and in\ngreater detail in the \"CHANGES\" file. Please pay particular attention to the\nNOTEs in the \"ReleaseNotes\" file because they describe some of the future\nchanges that are anticipated for MCIP.\n\n\nDo I need to update to MCIPv3.6?\n\nIt is entirely up to you. If you are using WRFv3.1+, then updating to the\nnew release of MCIP is strongly encouraged. Also, if you are using WRF\nnests or a projection in WRF other than Lambert conformal, then you should\nuse the latest code.\n\n\nDo I need to update my script from MCIPv3.4 to MCIPv3.6?\n\nThere are some new user options related to toggling on/off output fields and\nfor choosing a reference latitude for WRF Lambert conformal grids. If those\nchanges do not interest you, then you probably are OK with your previous\nscript. Those new user options will just be assigned default values if you\nchoose not to set them via the script/namelist.\n\n\nCan I use netCDF 4 with MCIP?\n\nIt appears to be working with the version of I/O API 3 that was updated\n28 October 2009.\n\n\nI'm using MM5 fields. Did anything change that affects my runs?\n\nNot in any appreciable way, unless you want to take advantage of the additional\nchoices related to output fields. You may see small changes in rotated wind\ndirection under very unique circumstances.\n\n\nWhy did you make the C-staggered latitude, longitude, and map-scale factors\nshow up in GRIDDOT2D for my MM5 runs when MM5 uses the B-staggered grid?\n\nSix 2D fields is a small price to pay.\n\n\nCan anything in CMAQ use the new, optional u- and v-component wind fields yet?\n\nChanges to CMAQv4.7.1 are expected in eddyx.F and edyintb.F.\n\n\nDo I need to output the u- and v-component winds on the C-staggered grid if\nI'm using MM5?\n\nNo.\n\n\nWhy do you need two sets of wind components right now?\n\nIf you choose to output the C-staggered winds for your WRF domain, the\nB-staggered winds are still needed for plume rise. An update to use the\nC-staggered winds has not been reconciled in SMOKE or in the meteorologically\ndependent portion of the plume rise that has been included in CMAQ.\n\n\nCan anything in CMAQ use the new, optional potential vorticity field yet?\n\nNot in the released code.\n\n\nDoes anything in CMAQ use the vertical velocity field predicted by the\nmeteorological model (i.e., what happens if I turn it off)?\n\nNothing in CMAQ uses WWIND. Your METCRO3D files will be smaller if you\nturn off WWIND.\n\n\nWhat extra fields do I need to turn on in the \"wrfout\" (history) file with\nthe WRF Registry?\n\nMCIPv3.6 can make use of the following fields if they are available in the\nWRF output (and these fields are NOT part of the WRF output by default in\nWRFv3.1): fractional land use (LANDUSEF), aerodynamic resistance (RA),\nstomatal resistance (RS), vegetation fraction in the Pleim-Xiu LSM (VEGF_PX),\nroughness length (ZNT), and inverse Monin-Obukhov length (RMOL). \n\n\nI already have LANDUSEF in my \"wrfout\" (history) files. Do I need to also\nsupply the GEOGRID file?\n\nNo. The GEOGRID is a backup in case the user forgot to add LANDUSEF to the\nWRF history file via the WRF Registry. (This is handy for groups that are\ncollaborating on meteorological and air quality simulations, where the WRF\nsimulations have already been conducted.)\n\n\nDo I have to use the Pleim-Xiu land-surface model in MM5/WRF to run MCIP?\n\nNo. Some of the MCIP/CMAQ physics probably work better with the Pleim-Xiu (PX)\nLSM than other land-surface models, but changes have been made to improve\nthe use of MCIP and CMAQ for other LSMs. One thing to note is that the\nmixing within the planetary boudnary layer (PBL) can be more consistent\nbetween MM5/WRF and CMAQ if the Asymmetric Convective Model version 2 (ACM2),\nwhich is commonly used with the PX LSM, is used in MM5/WRF.\n\n\nWhy is there a variable to specify the reference latitude for the WRF Lambert\nconformal simulations?\n\nThe notion of a \"center latitude\" (which is required in the I/O API used by\nCMAQ) is not available in the WRF output. There is additional flexibility in\nhow one can define simulation domains in WRF beyond what was available in MM5.\nJust going on what's available in the WRF output headers, it is impossible to\n\"reconstruct\" an existing MM5 domain that covers the same area under certain\ncircumstances. Several users have inquired about matching MM5 and WRF domains\nand getting the I/O API headers consistent. (There are multiple ways of using\nthe fields in the I/O API headers to represent the same domains.) Thus, the\noption for users to hand-pick the center (or reference) latitude was created\nin MCIP. Several users had access to this change in an unreleased code,\nMCIPv3.4.1.1, which was initially made available in December 2008. This\nchange is formally released as part of MCIPv3.6.\n\n\nHow can I find out what model/version/options/MCIP I used for my MCIP output?\n\nCheck out the metadata that is included in the I/O API headers of MCIP output\nfiles. Use the command \"ncdump -h \", and see the character field\nFILEDESC that is part of the I/O API header (near the end). That field has\nbeen filled for MCIP since MCIPv3.3. It is best viewed on a terminal of\n80-character width. It is also echoed at the end of the MCIP log file.\n\n\nHow can I visualize Mercator output from MCIP? It's not working in PAVE or\nIDV,\n\nYou can try VERDI, IDL, R, or GoogleEarth.\n\n--------------------------------------------------------------------------------\n--------------------------------------------------------------------------------\n\nMCIP Version 3.4.1 (4 December 2008)\n\n\nWhat are the changes in MCIPv3.4.1?\n\nThe changes in MCIPv3.4.1 are listed briefly in the \"ReleaseNotes\" file and in\ngreater detail in the \"CHANGES\" file. Please pay particular attention to the\nNOTEs in the \"ReleaseNotes\" file because they describe some of the future\nchanges that are anticipated for MCIP.\n\n\nWhat was the problem with the Spatial Allocator that caused the change to\nGRIDDESC for WRF Lambert conformal between MCIPv3.4 and MCIPv3.4.1?\n\nIn MCIPv3.4, the reference latitude for the GRIDDESC and the I/O API headers\nwas selected arbitrarily (but conveniently) to be the first true latitude for\nLambert conformal projections. In the Spatial Allocator, the GIS utility\nroutine, PROJ4, gives the wrong result when the reference latitude is equal\nto the first true latitude; the details have not been thoroughly investigated.\nHowever, to work around this issue, the reference latitude for Lambert conformal\nwas arbitrarily changed to the average of the true latitudes, and the tangent\nLambert conformal case (which would have the average of the true latitudes\nequal to the true latitudes...because there is just one) was temporarily\nprevented in MCIP.\n\n\nWhy can't you just stop changing the GRIDDESC file???\n\nIf there were an easy solution to map the WRF headers into the CMAQ\nsystem via the I/O API, we would have done it already! (Thanks for your\npatience.)\n\n--------------------------------------------------------------------------------\n--------------------------------------------------------------------------------\n\nMCIP Version 3.4 (4 November 2008)\n\n\nWhat are the changes in MCIPv3.4?\n\nThe changes in MCIPv3.4 are listed briefly in the \"ReleaseNotes\" file and in\ngreater detail in the \"CHANGES\" file.\n\n\nDo I need MCIPv3.4 to run CMAQv4.7?\n\nYes, particularly for the dry deposition velocity calculations in CMAQ and\nfor the bi-direction flux option.\n\n\nDo I need MCIPv3.4 for WRFv3?\n\nYes. Some minor changes were introduced to adjust to WRFv3. In addition,\nthere are corrections in MCIP to the way the WRF grids are depicted in the\nMCIP output. There are also changes for new physics options in WRFv3 and\nadded support for the NOAH land surface model.\n\n\nMy GRIDDESC file for WRF data is different from my MM5 GRIDDESC for the same\ngrid. Why?\n\nThe WRF model offers additional flexibility in the way that grids are defined\nbeyond what was available in MM5. The \"center latitude\" in the I/O API header\nthat has commonly been associated with the center of the projection in MM5 is\nnot a standard input in WRF...so it is not a standard output for WRF. In\nMCIPv3.3, an attempt was made to accommodate the flexibility in WRF's domain\ndefinitions, but there was an oversight that affected the downstream programs,\nso the method used in MCIPv3.3 is not correct for the CMAQ system and the\nI/O API utility routines. Thus, in MCIPv3.4, a completely different method\nwas used for WRF grids such that the \"center latitude\" for Lambert conformal\nprojections was chosen to be the first true latitude. This will make the\nYCENT different, as well as the XORIG and YORIG which are computed relative\nto the point at XCENT, YCENT. [NOTE: This solution was updated in MCIPv3.4.1\nto use the average of the true latitudes rather than the first true latitude\nfor the reference point.]\n\n\nI want to use my emissions from my MM5-based project with WRF data on the same\ngrid, but SMOKE keeps crashing! What can I do?\n\nYou have three options. (1) Edit the SMOKE routines to comment out the error-\nchecking on the GRIDDESC variables YCENT, XORIG, and YORIG. (2) Use the\nI/O API utility \"m3edhdr\" to edit the headers of your MCIP output files to\nadjust YCENT, XORIG, and YORIG to the MM5-based projection's values. (3) Rerun\nthe emissions with the WRF-based output. These options should be exercised\n*VERY* carefully!\n\n\nDry deposition velocities can be computed in CMAQ. Do I need to compute them\nin MCIP anymore?\n\nNo. The dry deposition velocity calculations were left in MCIP for this\nrelease cycle so that users can convince themselves that the methodology was\nimplemented consistently in MCIP and CMAQ. Note: The dry deposition velocity\ncalculations will be removed from MCIP in the next major release.\n\n\n--------------------------------------------------------------------------------\n--------------------------------------------------------------------------------\n\nMCIP Version 3.3 (1 Aug 2007)\n\n\nWhat are the changes in MCIPv3.3?\n\nThere are several scientific updates in the M3Dry dry deposition routine. In\naddition, legacy user options (RADMdry dry deposition, recalculation of PBL\nfields, recalculation of radiation fields, input using MM5v2 format) have been\nremoved. A few minor bugs have been corrected, and some updates have been\nmade for WRFv2.2. A metadata section was added to the MCIP output files to\nimprove traceability of the MCIP version and the input data sets. Also, MCIP\nhas been made more flexible with regard to near-surface fields so that land-\nsurface models in addition to Pleim-Xiu (such as NOAH) can be better\naccommodated. A few new fields have been added to output (largely to support\nthe forthcoming inline dry deposition calculations in the CCTM), while some\nhave been removed (most notably the diagnosed 1.5-m and 10-m temperatures).\nConsult the ReleaseNotes and CHANGES files (and the code itself!) for more\ndetails.\n\n\n\nDo I need to update my script to run MCIPv3.3?\n\nYes. The user definitions for the PBL and radiation options have been\nremoved, and they are no longer valid namelist variables.\n\n\n\nWhat happened to the 1.5-m temperature and 10-m temperature fields? I need\nthem for emissions!\n\nThe diagnosed temperatures at 1.5 m and 10 m AGL were removed from the MCIP\noutput in MCIPv3.3. These temperatures were diagnosed in MCIP using an\nalgorithm that is unrelated to the PBL schemes used in the meteorological\nmodel, and differences between the 1.5-m temperature diagnosed in MCIP (with\nthat algorithm) and the 2-m temperature diagnosed in the PBL model within\nthe meteorological model can be very significant (e.g., ~5-6 deg C). In an\neffort to keep the meteorological and air quality models as consistent as\npossible, the MCIP-diagnosed temperatures were removed in favor of the 2-m\ntemperature. Internal processes in MCIP (e.g., in the dry deposition model)\nnow use 2-m temperature. While the 2-m temperature has become a somewhat\nstandard output field in the meteorological models over the past few years,\n2-m temperature is not available in \"older\" versions of some models; in that\ncase, 2-m temperature is diagnosed in MCIP and made available in METCRO2D.\nEmissions should now use \"TEMP2\" rather than \"TEMP1P5\" and/or \"TEMP10\".\n\n\n\nWere other fields removed with MCIPv3.3?\n\nIn addition to 1.5-m and 10-m temperature (TEMP1P5 and TEMP10, respectively),\nthe inverse of the laminar boundary resistance (RBNDYI) and the total\nJacobian at the surface have been removed because no downstream processes\nused those fields. Also, dry deposition velocities are no longer computed\nfor two chlorine species (VD_ICL1 and VD_ICL2) because they are not required\nfor CB05; those species are only used in CB-IV with chlorine extensions.\n\n\n\nAre there any new fields in the MCIPv3.3 output?\n\nYes. If fractional land use is available in the input to MCIP, then the\nfractional land use (by category) is added to GRIDCRO2D. In addition, \nvegetation fraction (VEG) and leaf-area index (LAI) are output in METCRO2D for\nall runs. Lastly, soil moisture (SOIM1 and SOIM2), soil temperature (SOIT1 and\nSOIT2), soil type (SLTYP), and canopy wetness (WR) are output if they are\navailable in the input meteorology (not just for PX runs); the five soil fields\nmust all be available (as a package) to appear in the output.\n\n\n\nI have sensitivity tests with different meteorological model options, and I'm\noverwriting my MCIP output files. My metadata isn't changing, though. What's\nwrong?\n\nThe metadata will appear in the first instance of an MCIP output file. It will\nnot be updated if the file is overwritten. The easy solution is to move or\ndelete the original files and just create new MCIP files with each run.\n\n\n\nI set LDDEP=0 to compute dry deposition velocities inline in CMAQ, but I can't\nfigure out how to make it work in CMAQ. What's wrong?\n\nThe option to compute dry deposition velocities inline in CMAQ is not released\nas of CMAQv4.6. It should be released in 2008. For now, set LDDEP=4, and\nrun MCIP and CMAQ as you've always done it.\n\n\n\nMy project really depends on {pick at least one of [RADMDry], [recalculated\nPBL parameters], [recalculated radiation parameters], [MM5v2-formatted data]},\nbut I want to use the latest MCIP. What can I do?\n\nThe Release Notes that accompanied MCIPv3.2 (the previous release) indicated\nthat these options had been targeted for removal in this release of MCIP. In\nthe time that elapsed, no users protested to keep the options available, so\nthe options were removed, as promised. You can either keep using the version\nof MCIP that you've been using, or transition to more recent science.\n\n\n\nI want to use the minimum Kz formulation in CMAQ that's been available since\nCMAQv4.5, and I'm using WRF input. Can I do it now?\n\nYes, as long as your WRF output file includes the field LANDUSEF (fractional\nland use), which has been made available in WRFv2.2.\n\n\n\nMy MM5 run used the NOAH LSM, and my MCIPv3.3 output is different from my\nMCIPv3.2 output. What's going on?\n\nSome new code has been added in MCIPv3.3 to better accommodate additional\nland-surface models, such as the NOAH LSM, for both MM5 and WRF. Some\nnear-surface fields that were only captured for the Pleim-Xiu land-surface\nmodel are now captured and used in MCIP as long as they are available in the\nmeteorological model output. Some of those fields are now in the MCIP output.\n\n\n\nIt looks like MCIPv3.3 can accommodate the Pleim-Xiu land-surface model in\nWRF, but PX doesn't seem to be in my release of WRF. What's going on?\n\nThe Pleim-Xiu land-surface model is being implemented in WRF, and it should\nbe available in NCAR's release of WRFv3, targeted for spring 2008.\n\n\n\nMy GRIDCRO2D file is MUCH bigger with MCIPv3.3 than it had been. Why?\n\nThe fractional land use (by category) is now included in the GRIDCRO2D file\nto support the forthcoming inline dry deposition in CMAQ.\n\n\n\nThe fractional land use for the urban area (LUFRAC_01) does not match the\npercent of urban area (PURB). Is there a bug?\n\nNo. This is intentional. The fields represent slightly different quantities.\nLUFRAC_01 is the fraction of urban area compared to all other land use\ncategories such that the sum of LUFRAC_{nn} is 1.0. PURB is the percentage\nof urban area related to the proportion of land within the cell.\n\n\n\nI'm not running CMAQ with chlorine or mercury, so I don't need those extra\ndry deposition species. Can I turn them off in the MCIP output to save some\ndisk space?\n\nNo. That option was eliminated in MCIPv3.3. You will just get six (it was\neight before this release) additional dry deposition species in METCRO2D. CMAQ\nwill ignore the extra fields. If conserving disk space is important. you can\nmodify MCIP so that those fields are not written to the output, \n\n\n\nIf we're already up to MCIP version 3 and beyond, then why are some of my\ndirectories (and other documentation) referencing \"MCIP2\"?\n\nThis is an artifact of the developmental software configuration management\narchive in RTP. The entry for MCIP in the archive is called \"MCIP2\". It\nreally does not have anything to do with the version number for the program.\n\n--------------------------------------------------------------------------------\n--------------------------------------------------------------------------------\n\nMCIP Version 3.2 (26 Sept 2006)\n\n\nWhat are the changes in MCIPv3.2?\n\nThere are several minor changes and updates for MCIPv3.2. Most notably, the\nI/O API header variable settings for meteorology fields from the WRF-ARW are\nmodified to reflect the additional capability to have the center of the coarse\ndomain located elsewhere than the center of the projection, which is an option\nthat is not possible with MM5. With this change, applications of CMAQ that use\nWRF-ARW fields as input will no longer adhere to the \"grid family\" paradigm\nfor the Models-3 I/O API, and a separate GRIDDESC file will be needed for each\nWRF-based domain. Another noteworthy change in MCIPv3.2 is a correction to the\n\"last wet time\" algorithm in the M3Dry dry deposition routine for applications\nthat do not use the Pleim-Xiu land-surface model in the input meteorology. In\naddition, the polar stereographic and Mercator projection settings in the I/O\nAPI are updated again. One new field, land-water mask (LWMASK), is added to\nthe GRIDCRO2D file to support future work. Finally, in MCIPv3.2, several\nlegacy user options are tagged as obsolescent, and they are targeted for\nremoval in the next release of MCIP. These obsolescent options include\nRADMDry dry deposition, PBL recalculation options, radiation recalculation\noptions, and processing data in MM5v2 format. Several other minor changes\nhave been made in MCIPv3.2; consult the ReleaseNotes and CHANGES files for\nadditional details.\n\n\n\nI'm running the same domain for WRF and for MM5, and the GRIDDESC file has\ndifferent numbers in it. What's wrong?\n\nNothing. The different numbers will project the same domain. In GRIDDESC\nfiles for MM5-based data, the XORIG and YORIG are the location of the\nlower-left corner of the domain with respect to XCENT and YCENT at the\ncenter of the projection (using the \"grid family\" paradigm). For WRF-ARW-based\ndata, XCENT and YCENT are the center of the *domain* (and not necessarily the\ncenter of the projection), and XORIG and YORIG are the lower-left corner with\nrespect to that point.\n\n\n\nCan WRF-NMM data be processed through MCIP?\n\nNot at this time.\n\n\n\nThere is no \"mmheader\" file with my WRF-based MCIP run. What's wrong?\n\nNothing. The \"mmheader\" file contains the contents of the MM5 header.\nBecause MM5 data are not in a \"standard\" format, \"mmheader\" is convenient.\nIt's easier to put it in a separate file rather than clutter the MCIP\nlog file. The contents of the WRF header can easily be viewed by\nusing \"ncdump -h \".\n\n\n\nAre there any options in WRF-ARW that are incompatible with CMAQ?\n\nSo far, just one. The Eta/Ferrier microphysics lumps all hydrometeors into\n\"total condensate\", and that field is output using the same variable that\nis otherwise assigned to cloud water mixing ratio. CMAQ currently needs a\nbreakdown of the hydrometeor components, so this scheme is currently blocked\nfrom being processed through MCIP.\n\n--------------------------------------------------------------------------------\n--------------------------------------------------------------------------------\n\nMCIP Version 3.1 (27 Feb 2006)\n\n\nWhat are the changes in MCIPv3.1?\n\nThere are several minor changes to the code for MCIPv3.1. The dry deposition\nvelocity for elemental mercury was updated. Also, the automated calculations\nof some grid parameters were modified for WRF so that the center of the\nprojection is not restricted to a cell corner. In addition, a minor correction\nwas made for the I/O API header for data sets with Mercator projection.\n\n\n\nIf I am using MCIPv3, do I need to upgrade to MCIPv3.1?\n\nUsers do not need to upgrade from MCIPv3.0 to MCIPv3.1 unless the mercury\noption in CMAQ is going to be used. Users who have WRF-ARW (formerly WRF-EM)\ndata should consider upgrading to MCIPv3.1 to take advantage of minor\ncorrections in the code, but this is not required if MCIPv3.0 already runs with\nthe user's WRF data set. Users who have data with Mercator projection (either\nMM5 or WRF) should upgrade to MCIPv3.1. New users should start with MCIPv3.1.\n\n\n\nIf I ran MM5 (or WRF) without the Pleim-Xiu land-surface model, can I use\nthe \"M3Dry\" dry deposition routine in MCIP?\n\nYes. While \"M3Dry\" was specifically written to take advantage of fields that\nare available in the output from the Pleim-Xiu land-surface model, there is\nsome code that creates those fields within MCIP for meteorology data sets\nthat do not already have them. This code probably could be improved, but it\nis not an impediment to using \"M3Dry\".\n\n--------------------------------------------------------------------------------\n--------------------------------------------------------------------------------\n\nMCIP Version 3.0 (19 Aug 2005)\n\n\nWhat were the major changes in MCIPv3.0?\n\nThe major change was to allow meteorology fields to be input from either\nMM5 or WRF. There are also new optional dry deposition species for chlorine and\nmercury with the M3Dry scheme. There is also an option to use fractional land\nuse in MCIP if it is imported from an MM5v3 pre-processing file. The detailed\nlist of changes is in the file \"CHANGES\".\n\n\n\nI want to run MCIP with WRF model data. What do I need to do?\n\nThere are a handful of things that need to be done in WRF to run MCIP with WRF\ndata.\n 1. The WRF model must be WRFv2.0 or newer. \n 2. Must use the WRF-EM core. (WRF namelist variable dyn_opt=2. This is the\n default.) MCIPv3 does not support WRF-NMM (NCEP core).\n 3. Output must be in WRF I/O API (using NetCDF) format. (WRF namelist\n variable io_form_history=2. This is the default.)\n 4. Must use non-hydrostatic dynamics in WRF. (WRF namelist variable\n non_hydrostatic=.true. This is the default.)\n 5. WRF output should be hourly at most. (WRF namelist variable\n history_interval=60, or fewer, minutes. The default is 180 min.)\n 6. The following 2D variables need to be added to the WRF output (history)\n file: UST, ALBEDO, EMISS, and ZNT. Variables can be added to the history\n file by adding \"h\" in the 8th column of the WRF Registry on the line that\n describes the variable.\n\nAlso, the water vapor mixing ratio and mixing ratios associated with the\nexplicit moisture can go negative in WRF. This is a result of the mass\nconservation and the advection scheme used in WRF. Negative mixing ratios will\ncause problems in CMAQ. There are two namelist variables in WRF that eliminate\nnegative mixing ratios (mp_zero_out and mp_zero_out_thresh), but they are not\ninvoked by default. Users need to decide whether or not this should be\ncontrolled in WRF or downstream. Either way, MCIPv3 will not permit negative\nmixing ratios to be passed to CMAQ. In addition, a floor value of 1.0e-14 kg/kg\nhas been set for water vapor mixing ratio in MCIP since negative mixing ratios\nare otherwise zeroed out in WRF. A positive water vapor mixing ratio is\nrequired for the aerosol model in CMAQ.\n\n\n\nWhere do I need to specify if my dataset is from MM5 or WRF?\n\nThe user does not need to indicate if the input meteorology files are from\nMM5 or WRF. MCIP automatically determines if the file is MM5 or WRF by\ntrying to open the input file as a NetCDF file. If the file can be read as\nNetCDF, MCIP assumes the input is a WRF dataset. Otherwise, MM5 is assumed.\nWhen using MM5 data, it is normal to see a message in the MCIP log file that\nsays, \"NCOPN: : Not a netCDF file\".\n\n\n\nAre there any new output fields in MCIPv3.0?\n\nOne new output field is PURB, or percentage of urban area. This field\nappears in GRIDCRO2D if an additional input file that contains fractional\nland use information (e.g., MM5's TERRAIN file) is provided for input. PURB\ncan only be generated currently for MM5v3-based MCIP runs.\n\nThere are also optional dry deposition velocities in METCRO2D for 6 chlorine\nand 2 mercury species.\n\n\n\nWere any output fields eliminated in MCIPv3.0?\n\nNo.\n\n\n\nI ran MCIP with WRF input data, and there is no GRIDCRO3D file. What happened?\n\nGRIDCRO3D contains reference height fields that are relevant for non-hydrostatic\nMM5, but not for WRF. GRIDCRO3D will not created for WRF. Older versions of\nSMOKE have a minor dependency on this file, but a change should have been made\nin the recent release to extract WRF layer heights from METCRO3D rather than\nfrom GRIDCRO3D for plume rise calculations. CMAQ does not require GRIDCRO3D.\n\n\n\nI want to run with MM5 data, and I'm having problems compiling some of the new\nroutines with WRF. Can I just shut off the WRF part of MCIPv3?\n\nNo. MCIPv3 is an integrated code for both MM5 and WRF. The locations of the\nNetCDF library and the file \"netcdf.inc\" need to be verified in the Makefile\nand the code must be compiled as a total package.\n\n\n\nI ran MCIP with the options for chlorine and mercury dry deposition, but I\ndon't want to run those versions of CMAQ. Do I need to rerun MCIP?\n\nNo. There will just be 6 extra chlorine species and 2 extra mercury species\nin METCRO2D. No other species dry deposition are affected if these options are\nturned on in MCIPv3. The chlorine and mercury species in METCRO2D will be\nignored.\n\n\n\nI want to run with chlorine (and mercury) but I want to use RADMDry instead\nof M3Dry. Can I do this?\n\nNo. MCIPv3 is only set up to generate chlorine and mercury dry deposition\nvelocities using M3Dry.\n\n\n\nDo I need to change my script to use MCIPv3.0?\n\nYes. There have been several changes to the MCIP script for MCIPv3.0. Most\nnotably, the windowing variables I0 and J0 have been renamed Y0 and X0 to make\nMCIP more general. Also, the option to read the MM5 TERRAIN file has been added\nso that fractional land use can be processed. The names of the environment\nvariables for the output files have also been modified, and the logic\nsurrounding the number of input meteorology files has been generalized. In\nshort, it is recommended that users start with a new script rather than trying\nto adapt their existing scripts to include the MCIP updates.\n\n\n\nI can't find my TERRAIN file. Can I use a different file to provide fractional\nland use?\n\nSince the fractional land use fields appear in all of the MM5v3 preprocessing\noutput files, any of the TERRAIN, REGRID, RAWINS, LITTLE_R, and MMINPUT files\ncan be read into MCIP to obtain fractional land use.\n\n\n\nI'm using MM5v3 input files, and I don't have the files to provide fractional\nland use. Can I still run CMAQ?\n\nYes. This is not a problem for CMAQ. PURB supports an option to modify the\nminimum Kz in CMAQv4.5. PURB is not required; the minimum Kz calculation will\notherwise revert to the method used in CMAQv4.4.\n\n\n\nI already have MCIP and emissions files created for CMAQ, but I want to take\nadvantage of the new minimum Kz formulation in CMAQv4.5. Do I have to start\nover again since I don't have PURB in my GRIDCRO2D file?\n\nFortunately, users can run MCIPv3 for one hour with the fractional land use\ninput and the appropriate MM5 file to create a new GRIDCRO2D file that\ncontains PURB. This new GRIDCRO2D file can be used in place of the old\nGRIDCRO2D files for applications that are already underway. For most users,\nthe other five fields in GRIDCRO2D should be unaffected by this change.\n\n\n\nI ran WRF, and I want to use the new minimum Kz formulation in CMAQv4.5.\nCan I do this?\n[*** See update with MCIPv3.3 ***]\n\nNo. As of now, WRF does not have fractional land use fields available in the\noutput. MCIPv3 is not set up to use WRF output with an MM5 TERRAIN file (or\nother MM5 preprocessing file) to obtain the fractional land use information.\n\n\n\nI can't get I/O API 3 to work properly on my machine, and I need to run MCIP.\nWhat can I do?\n\nThe subroutine ioparms3 (which is called from init_io.F) is the only dependency\non I/O API 3 in MCIPv3. If you want to use I/O API 2.2 with MCIP, modify the\nroutine init_io.F by commenting out the call to ioparms3 and the variable checks\nbelow it (starting with the comment \"Verify that the I/O API library...\"). \nThen recompile and run MCIPv3 with the I/O API 2.2 library. You should,\nhowever, ensure that your I/O API library and the parameters in MCIP are\nconsistent (e.g., if the maximum number of species has been increased in your\nI/O API library, then parms3_mod.F in MCIP needs to be modified to reflect this\nchange).\n\n\n\nI want to use the Intel compiler on Linux. What else do I need to do?\n\nIn addition to the compiler options in the Makefile, it may be necessary to also\nset the following environment variables (noted in C-shell, below, but can be\neasily adjusted for KSH/BASH):\n\n To reverse the order of the bytes on reading MM5 files:\n setenv F_UFMTENDIAN big\n\n To find the shared-object file, libcxa.so.5:\n setenv LD_LIBRARY_PATH /path-to-your-Intel-compiler/lib\n\n To find file ifcore_msg.cat for debugging:\n setenv NLSPATH /path-to-your-Intel-compiler/lib/%N\n\n\n\nI don't know the layer structure of the MM5 file. How can I find out what\nit is?\n\nThere is a new option in MCIPv3 to run with all of the MM5 layers without\nspecifying the structure in the script. Users can run MCIP for the full\nMM5/WRF layer structure by setting the script variable CTMLAYs = \"-1.0\".\nIf layer collapsing is desired, users can run MCIP for one hour with the\nprevious setting for CTMLAYS to determine the structure (which will appear\nin the log file), then set the CMAQ layer structure based on the MM5/WRF\nstructure.\n\n\n\nI set BTRIM = 0 to use the full extent of my MM5 files in CMAQ, but the\noutput dimensions smaller by 3 in each dimension. What happened?\n\nActually you are getting the full extent of your MM5 files if you set\nBTRIM = 0. The output in the METCRO2D and METCRO3D files is 3 smaller\nin each dimension, but that accounts for two things. First, the MM5\ndimensions are in terms of dot points, while the CMAQ dimensions are in\nterms of scalar (or cross) points (i.e., cells). The dot point dimensions\nare inherently one larger than the scalar point (e.g., cell) dimensions,\nso that accounts for one of the three. The other two cells in each\ndimension are the one-cell picture-frame boundaries for CMAQ. Unlike\nMM5, the CMAQ files containing the full fields (i.e., GRIDCRO2D,\nGRIDCRO3D, METCRO2D, METCRO3D) do not include the boundary cells.\nThe CMAQ boundary file (METBDY3D) contains the picture frame around\nMETCRO3D, and METBDY3D was filled using MM5 fields.\n\n\n\nI heard there was an option to interpolate meteorological fields to finer\nhorizontal grid spacing with MCIP. Is this true?\n\nNot anymore. The option existed as \"hidden\" code in MCIPv2.3 and prior\nreleases, but it had some bugs in it. The code has been removed as of\nMCIPv3 in favor of some code optimizations. The preferred method of creating\nfine-scale meteorology is to run the meteorology model at the desired\nhorizontal grid spacing, and then process through MCIP.\n" }, { "path": "PREP/mcip/docs/ReleaseNotes", "content": "********************************************************************************\nAnnouncing the release of MCIP Version 5.5 (19 September 2024)\n********************************************************************************\n\nThe MCIP code is updated to version 5.5. This is a minor update to MCIP.\nThese release notes and the CHANGES file reflect all changes that have been\nmade to MCIP since MCIPv5.4 (the previous release). Changes to MCIPv5.5\nwere made by Tanya Spero (U.S. EPA).\n\nMCIPv5.5 accompanies CMAQv5.5. If you are using CMAQv5.3+, you must\nupgrade to use MCIPv5.0+.\n\nMCIPv5.5 requires I/O API version 3.1 or greater to support error-checking\nwithin the I/O API.\n\nMCIPv5.5 requires the netCDF F90 module (rather than the F77 include).\n\n\nMCIP can be cited with the following reference:\n\n Otte, T. L., and J. E. Pleim, 2010. The Meteorology-Chemistry Interface\n Processor (MCIP) for the CMAQ modeling system: updates through\n MCIPv3.4.1. Geoscientific Model Development, 3, 243-256.\n\nA DOI will also be available for CMAQv5.5 (which includes MCIPv5.5).\n\n\nBackground on MCIP and other useful information about the CMAQ system can be\nfound online at http://www.epa.gov/cmaq.\n\nInquiries related to potential bugs in MCIPv5.5 for questions related to\nproper use of the code should be submitted to the MCIP Category in the\nForum hosted by the CMAS Center: https://forum.cmascenter.org/c/mcip.\n\nUsers are encouraged to read the Frequently Asked Questions (FAQ) file.\nUsers should consult the FAQ and other issues raised within the Forum\nbefore submitting new inquiries.\n\n\n\nMCIPv5.5 was tested with the following Fortran compilers under both debug\nand optimized options (as shown in the Makefile):\n\n Intel 21.4 with netCDF 4.9.2 and I/O API 3.2\n\n Nvidia 22.11 with netCDF 4.9.2 and I/O API 3.2\n\n GCC 8.5.0 with netCDF 4.9.2 and I/O API 3.2\n\n\n\nWith MCIPv5.5, the following remain deprecated:\n - Including \"SOIM1\", \"SOIM2\", \"SOIT1\", and \"SOIT2\" in METCRO2D.\n Those fields are now in a separate file that includes all soil layers and\n their associated depths (SOI_CRO).\n - Including \"LUFRAC_xx\" in GRIDCRO2D. Those fields are now in a separate\n file that includes each fractional land use classification (LUFRAC_CRO).\n\nWith MCIPv5.5, the following output variables in METCRO2D remain deprecated:\n - 2-D cloud fraction (CFRAC)\n - cloud top (CLDT)\n - cloud bottom (CLDB)\n - liquid water content (WBAR)\nThey will be removed from METCRO2D in a forthcoming release of MCIP.\n\n\nInteractions with members of the CMAQ user community led to some of the changes\nthat have been incorporated into MCIPv5.5.\n\n\nThe following is a summary of the changes in MCIPv5.5:\n\n 1. Changed constraint on XORIG and YORIG for Lambert conformal projections\n with user-specified runtime reference latitude. Original constraint of\n 500 meters introduced an error in calculating the location of the\n lower-left corner (i.e., XORIG and YORIG) in domains with a horizontal\n grid spacing that is not a multiple of 1 km. Now using a constraint of\n 5 meters to allow for \"neater\" XORIG and YORIG values across compilers.\n\n 2. Updated WRF option translation for the MCIP metadata for new physics\n introduced between WRFv4.1 and WRFv4.6.\n\n 3. Removed a redundant NF90_OPEN/NF90_CLOSE couplet to improve efficiency.\n" }, { "path": "PREP/mcip/scripts/run_mcip.csh", "content": "#!/bin/csh -f \n\n#------------------------------------------------------------------------------#\n# The Community Multiscale Air Quality (CMAQ) system software is in #\n# continuous development by various groups and is based on information #\n# from these groups: Federal Government employees, contractors working #\n# within a United States Government contract, and non-Federal sources #\n# including research institutions. These groups give the Government #\n# permission to use, prepare derivative works of, and distribute copies #\n# of their work in the CMAQ system to the public and to permit others #\n# to do so. The United States Environmental Protection Agency #\n# therefore grants similar permission to use the CMAQ system software, #\n# but users are requested to provide copies of derivative works or #\n# products designed to operate in the CMAQ system to the United States #\n# Government without restrictions as to use by others. Software #\n# that is used with the CMAQ system but distributed under the GNU #\n# General Public License or the GNU Lesser General Public License is #\n# subject to their copyright restrictions. #\n#------------------------------------------------------------------------------#\n\n#=======================================================================\n#\n# Script: run.mcip\n# Purpose: Runs Models-3/CMAQ Meteorology-Chemistry Interface\n# Processor. Part of the US EPA's Models-3/CMAQ system.\n# Method: In UNIX/Linux: run.mcip >&! mcip.log\n# Revised: 20 Sep 2001 Original version. (T. Otte)\n# 18 Oct 2001 Added CoordName to user definitions. Deleted\n# script variable DomIdMM5. Added Fortran link\n# for GRIDDESC file. Moved namelist output to\n# WorkDir, and mmheader output to OutDir. Added\n# user variables I0, J0, NCOLS, and NROWS for\n# MCIP windowing. (T. Otte)\n# 29 Jan 2002 Added new namelist for file names. Generalized\n# the end-of-namelist delimiter. (T. Otte)\n# 27 Feb 2002 Removed minimum size for windows. (T. Otte)\n# 19 Mar 2002 Changed default grid cell for printing.\n# (T. Otte)\n# 11 Jun 2003 Clarified instructions on use of BTRIM and\n# setting I0 and J0 for windowing option.\n# Removed GRIDBDY2D, GRIDBDY3D, and METBDY2D\n# from output. (T. Otte)\n# 01 Jul 2004 Restored GRIDBDY2D to output. (T. Otte)\n# 29 Nov 2004 Added TERRAIN option for input to get\n# fractional land use from MM5 preprocessor.\n# (T. Otte)\n# 26 May 2005 Changed I0 and J0 to Y0 and X0 to make code\n# more general. Removed \"_G1\" from environment\n# variables for output files. Created two new\n# user options for calculating dry deposition\n# velocities. Added capability to process more\n# than five input meteorology files in a single\n# MCIP run. (T. Otte)\n# 27 Feb 2006 Updated automated namelist generator for\n# Linux on Mac (assumed to be) using the XLF\n# compiler. (T. Otte)\n# 24 Jul 2007 Added option to bypass dry deposition velocity\n# calculations in MCIP so that they can be done\n# inline in the CCTM. Eliminated options to\n# use RADM (Wesely) dry deposition, eliminated\n# multiple versions of M3Dry (Pleim) dry\n# deposition, and eliminated options and to\n# recalculate PBL and radiation fields in MCIP.\n# (T. Otte)\n# 27 May 2008 Added optional namelist variable to override\n# earth radius default from MM5 and WRF. \n# (T. Otte)\n# Added variables to support GOES satellite\n# cloud processing (InSatDir, InSatFile, LSAT).\n# Requires additional data and preprocessing\n# package available from University of Alabama\n# at Huntsville. Contributed by University of\n# Alabama at Huntsville. (A. Biazar and T. Otte)\n# 23 Dec 2008 Added optional namelist variable to override\n# default setting for reference latitude for\n# WRF Lambert conformal projection. (T. Otte)\n# 19 Mar 2010 Added namelist variable option to compute\n# and output potential vorticity. Added namelist\n# variable option to output vertical velocity\n# predicted by meteorological model. Allow\n# output from WRF Preprocessing System (WPS)\n# routine, GEOGRID, to provide fractional land\n# use output if it is unavailable in WRF output.\n# Add user option to output u- and v-component\n# winds on C-staggered grid. (T. Otte)\n# 09 Sep 2010 Removed option to generate dry deposition\n# velocities in MCIP. (T. Otte)\n# 07 Sep 2011 Corrected minor typos in error-checking (as\n# identified by Debra Baker, Univ. of Maryland).\n# Updated disclaimer. (T. Otte)\n# 31 May 2012 Changed comment about MAX_MM to be consistent\n# with the change to the code. (T. Otte)\n# 16 Mar 2018 Added new optional output files for land use,\n# soil, and mosaic output. Now delete rather\n# than overwrite existing MCIP output files.\n# (T. Spero)\n# 18 Dec 2018 Removed support for MM5v3 input. Added runtime\n# option to choose output format. Removed option\n# to turn off static output. (T. Spero)\n# 20 Jun 2019 Removed layer collapsing. Changed LUVCOUT to\n# to LUVBOUT to make the default output for\n# u- and v-component winds on the Arakawa-C\n# staggering. The Arakawa-B staggering is now\n# optional (additional fields), and the Arakawa-C\n# staggering is the default. (T. Spero)\n# 17 Nov 2019 Corrected variable setting for file_geo in\n# namelist generation code. (T. Spero)\n#=======================================================================\n\n#-----------------------------------------------------------------------\n# Set identification for input and output files.\n#\n# APPL = Application Name (tag for MCIP output file names)\n# CoordName = Coordinate system name for GRIDDESC\n# GridName = Grid Name descriptor for GRIDDESC\n# InMetDir = Directory that contains input meteorology files\n# InGeoDir = Directory that contains input WRF \"GEOGRID\" file to\n# provide fractional land-use categories if \"LANDUSEF\"\n# was not included in the WRFOUT files.\n# OutDir = Directory to write MCIP output files\n# ProgDir = Directory that contains the MCIP executable\n# WorkDir = Working Directory for Fortran links and namelist\n#-----------------------------------------------------------------------\n\nsource $CMAQ_HOME/config_cmaq.csh\n\nset APPL = 160702\nset CoordName = LamCon_40N_97W # 16-character maximum\nset GridName = 2016_12SE1 # 16-character maximum\n\nset DataPath = $CMAQ_DATA\nset InMetDir = $DataPath/wrf\nset InGeoDir = $DataPath/wrf\nset OutDir = $DataPath/mcip/$GridName\nset ProgDir = $CMAQ_HOME/PREP/mcip/src\nset WorkDir = $OutDir\n\n#-----------------------------------------------------------------------\n# Set name(s) of input meteorology file(s)\n#\n# File name(s) must be set inside parentheses since \"InMetFiles\" is\n# a C-shell script array. Multiple file names should be space-\n# delimited. Additional lines can be used when separated by a\n# back-slash (\\) continuation marker. The file names can be as\n# they appear on your system; MCIP will link the files in by a\n# Fortran unit number and the explicit name via a namelist. The\n# files must be listed in chronological order. The maximum number\n# of input meteorology files must be less than or equal to the number\n# in MAX_MM in file_mod.F (default is 367).\n#\n# Example:\n# set InMetFiles = ( $InMetDir/wrfout_d01_date1 \\\n# $InMetDir/wrfout_d01_date2 )\n#\n#-----------------------------------------------------------------------\n\nset InMetFiles = ( $InMetDir/subset_wrfout_d01_2016-07-01_00:00:00 \\\n $InMetDir/subset_wrfout_d01_2016-07-02_00:00:00 \\\n $InMetDir/subset_wrfout_d01_2016-07-03_00:00:00 )\n\nset IfGeo = \"F\"\nset InGeoFile = $InGeoDir/geo_em_d01.nc\n\n#-----------------------------------------------------------------------\n# Set user control options.\n#\n# LPV: 0 = Do not compute and output potential vorticity\n# 1 = Compute and output potential vorticity\n#\n# LWOUT: 0 = Do not output vertical velocity\n# 1 = Output vertical velocity\n#\n# LUVBOUT: 0 = Do not output u- and v-component winds on B-grid\n# 1 = Output u- and v-component winds on B-grid (cell corner)\n# in addition to the C-grid (cell face) output\n#-----------------------------------------------------------------------\n\nset LPV = 0\nset LWOUT = 0\nset LUVBOUT = 1\n\n#-----------------------------------------------------------------------\n# Set run start and end date. (YYYY-MO-DD-HH:MI:SS.SSSS)\n# MCIP_START: First date and time to be output [UTC]\n# MCIP_END: Last date and time to be output [UTC]\n# INTVL: Frequency of output [minutes]\n#-----------------------------------------------------------------------\n\nset MCIP_START = 2016-07-02-00:00:00.0000 # [UTC]\nset MCIP_END = 2016-07-03-00:00:00.0000 # [UTC]\n\nset INTVL = 60 # [min]\n\n#-----------------------------------------------------------------------\n# Choose output format.\n# 1 = Models-3 I/O API\n# 2 = netCDF\n#-----------------------------------------------------------------------\n\nset IOFORM = 1\n\n#-----------------------------------------------------------------------\n# Set number of meteorology \"boundary\" points to remove on each of four\n# horizontal sides of MCIP domain. This affects the output MCIP domain\n# dimensions by reducing meteorology domain by 2*BTRIM + 2*NTHIK + 1,\n# where NTHIK is the lateral boundary thickness (in BDY files), and the\n# extra point reflects conversion from grid points (dot points) to grid\n# cells (cross points). Setting BTRIM = 0 will use maximum of input\n# meteorology. To remove MM5 lateral boundaries, set BTRIM = 5.\n#\n# *** If windowing a specific subset domain of input meteorology, set\n# BTRIM = -1, and BTRIM will be ignored in favor of specific window\n# information in X0, Y0, NCOLS, and NROWS.\n#-----------------------------------------------------------------------\n\nset BTRIM = 0\n\n#-----------------------------------------------------------------------\n# Define MCIP subset domain. (Only used if BTRIM = -1. Otherwise,\n# the following variables will be set automatically from BTRIM and\n# size of input meteorology fields.)\n# X0: X-coordinate of lower-left corner of full MCIP \"X\" domain\n# (including MCIP lateral boundary) based on input MM5 domain.\n# X0 refers to the east-west dimension. Minimum value is 1.\n# Y0: Y-coordinate of lower-left corner of full MCIP \"X\" domain\n# (including MCIP lateral boundary) based on input MM5 domain.\n# Y0 refers to the north-south dimension. Minimum value is 1.\n# NCOLS: Number of columns in output MCIP domain (excluding MCIP\n# lateral boundaries).\n# NROWS: Number of rows in output MCIP domain (excluding MCIP\n# lateral boundaries).\n#-----------------------------------------------------------------------\n\nset X0 = 13\nset Y0 = 94\nset NCOLS = 89\nset NROWS = 104\n\n#-----------------------------------------------------------------------\n# Set coordinates for cell for diagnostic prints on output domain.\n# If coordinate is set to 0, domain center cell will be used.\n#-----------------------------------------------------------------------\n\nset LPRT_COL = 0\nset LPRT_ROW = 0\n\n#-----------------------------------------------------------------------\n# Optional: Set WRF Lambert conformal reference latitude.\n# (Handy for matching WRF grids to existing MM5 grids.)\n# If not set, MCIP will use average of two true latitudes.\n# To \"unset\" this variable, set the script variable to \"-999.0\".\n# Alternatively, if the script variable is removed here, remove it\n# from the setting of the namelist (toward the end of the script).\n#-----------------------------------------------------------------------\n\nset WRF_LC_REF_LAT = 40.0\n\n#=======================================================================\n#=======================================================================\n# Set up and run MCIP.\n# Should not need to change anything below here.\n#=======================================================================\n#=======================================================================\n\nset PROG = mcip\n\ndate\n\n#-----------------------------------------------------------------------\n# Make sure directories exist.\n#-----------------------------------------------------------------------\n\nif ( ! -d $InMetDir ) then\n echo \"No such input directory $InMetDir\"\n exit 1\nendif\n\nif ( ! -d $OutDir ) then\n echo \"No such output directory...will try to create one\"\n mkdir -p $OutDir\n if ( $status != 0 ) then\n echo \"Failed to make output directory, $OutDir\"\n exit 1\n endif\nendif\n\nif ( ! -d $ProgDir ) then\n echo \"No such program directory $ProgDir\"\n exit 1\nendif\n\n#-----------------------------------------------------------------------\n# Make sure the input files exist.\n#-----------------------------------------------------------------------\n\nif ( $IfGeo == \"T\" ) then\n if ( ! -f $InGeoFile ) then\n echo \"No such input file $InGeoFile\"\n exit 1\n endif\nendif\n\nforeach fil ( $InMetFiles )\n if ( ! -f $fil ) then\n echo \"No such input file $fil\"\n exit 1\n endif\nend\n\n#-----------------------------------------------------------------------\n# Make sure the executable exists.\n#-----------------------------------------------------------------------\n\nif ( ! -f $ProgDir/${PROG}.exe ) then\n echo \"Could not find ${PROG}.exe\"\n exit 1\nendif\n\n#-----------------------------------------------------------------------\n# Create a work directory for this job.\n#-----------------------------------------------------------------------\n\nif ( ! -d $WorkDir ) then\n mkdir -p $WorkDir\n if ( $status != 0 ) then\n echo \"Failed to make work directory, $WorkDir\"\n exit 1\n endif\nendif\n\ncd $WorkDir\n\n#-----------------------------------------------------------------------\n# Set up script variables for input files.\n#-----------------------------------------------------------------------\n\nif ( $IfGeo == \"T\" ) then\n if ( -f $InGeoFile ) then\n set InGeo = $InGeoFile\n else\n set InGeo = \"no_file\"\n endif\nelse\n set InGeo = \"no_file\"\nendif\n\nset FILE_GD = $OutDir/GRIDDESC\n\n#-----------------------------------------------------------------------\n# Create namelist with user definitions.\n#-----------------------------------------------------------------------\n\nset MACHTYPE = `uname`\nif ( ( $MACHTYPE == \"AIX\" ) || ( $MACHTYPE == \"Darwin\" ) ) then\n set Marker = \"/\"\nelse\n set Marker = \"&END\"\nendif\n\ncat > $WorkDir/namelist.${PROG} << !\n\n &FILENAMES\n file_gd = \"$FILE_GD\"\n file_mm = \"$InMetFiles[1]\",\n!\n\nif ( $#InMetFiles > 1 ) then\n @ nn = 2\n while ( $nn <= $#InMetFiles )\n cat >> $WorkDir/namelist.${PROG} << !\n \"$InMetFiles[$nn]\",\n!\n @ nn ++\n end\nendif\n\nif ( $IfGeo == \"T\" ) then\ncat >> $WorkDir/namelist.${PROG} << !\n file_geo = \"$InGeo\"\n!\nendif\n\ncat >> $WorkDir/namelist.${PROG} << !\n ioform = $IOFORM\n $Marker\n\n &USERDEFS\n lpv = $LPV\n lwout = $LWOUT\n luvbout = $LUVBOUT\n mcip_start = \"$MCIP_START\"\n mcip_end = \"$MCIP_END\"\n intvl = $INTVL\n coordnam = \"$CoordName\"\n grdnam = \"$GridName\"\n btrim = $BTRIM\n lprt_col = $LPRT_COL\n lprt_row = $LPRT_ROW\n wrf_lc_ref_lat = $WRF_LC_REF_LAT\n $Marker\n\n &WINDOWDEFS\n x0 = $X0\n y0 = $Y0\n ncolsin = $NCOLS\n nrowsin = $NROWS\n $Marker\n\n!\n\n#-----------------------------------------------------------------------\n# Set links to FORTRAN units.\n#-----------------------------------------------------------------------\n\nrm fort.*\nif ( -f $FILE_GD ) rm -f $FILE_GD\n\nln -s $FILE_GD fort.4\nln -s $WorkDir/namelist.${PROG} fort.8\n\nset NUMFIL = 0\nforeach fil ( $InMetFiles )\n @ NN = $NUMFIL + 10\n ln -s $fil fort.$NN\n @ NUMFIL ++\nend\n\n#-----------------------------------------------------------------------\n# Set output file names and other miscellaneous environment variables.\n#-----------------------------------------------------------------------\n\nsetenv IOAPI_CHECK_HEADERS T\nsetenv EXECUTION_ID $PROG\n\nsetenv GRID_BDY_2D $OutDir/GRIDBDY2D_${APPL}.nc\nsetenv GRID_CRO_2D $OutDir/GRIDCRO2D_${APPL}.nc\nsetenv GRID_DOT_2D $OutDir/GRIDDOT2D_${APPL}.nc\nsetenv MET_BDY_3D $OutDir/METBDY3D_${APPL}.nc\nsetenv MET_CRO_2D $OutDir/METCRO2D_${APPL}.nc\nsetenv MET_CRO_3D $OutDir/METCRO3D_${APPL}.nc\nsetenv MET_DOT_3D $OutDir/METDOT3D_${APPL}.nc\nsetenv LUFRAC_CRO $OutDir/LUFRAC_CRO_${APPL}.nc\nsetenv SOI_CRO $OutDir/SOI_CRO_${APPL}.nc\nsetenv MOSAIC_CRO $OutDir/MOSAIC_CRO_${APPL}.nc\n\nif ( -f $GRID_BDY_2D ) rm -f $GRID_BDY_2D\nif ( -f $GRID_CRO_2D ) rm -f $GRID_CRO_2D\nif ( -f $GRID_DOT_2D ) rm -f $GRID_DOT_2D\nif ( -f $MET_BDY_3D ) rm -f $MET_BDY_3D\nif ( -f $MET_CRO_2D ) rm -f $MET_CRO_2D\nif ( -f $MET_CRO_3D ) rm -f $MET_CRO_3D\nif ( -f $MET_DOT_3D ) rm -f $MET_DOT_3D\nif ( -f $LUFRAC_CRO ) rm -f $LUFRAC_CRO\nif ( -f $SOI_CRO ) rm -f $SOI_CRO\nif ( -f $MOSAIC_CRO ) rm -f $MOSAIC_CRO\n\nif ( -f $OutDir/mcip.nc ) rm -f $OutDir/mcip.nc\nif ( -f $OutDir/mcip_bdy.nc ) rm -f $OutDir/mcip_bdy.nc\n\n#-----------------------------------------------------------------------\n# Execute MCIP.\n#-----------------------------------------------------------------------\n\n$ProgDir/${PROG}.exe\n\nif ( $status == 0 ) then\n rm fort.*\n exit 0\nelse\n echo \"Error running $PROG\"\n exit 1\nendif\n" }, { "path": "PREP/mcip/src/Makefile", "content": "#------------------------------------------------------------------------------#\n# The Community Multiscale Air Quality (CMAQ) system software is in #\n# continuous development by various groups and is based on information #\n# from these groups: Federal Government employees, contractors working #\n# within a United States Government contract, and non-Federal sources #\n# including research institutions. These groups give the Government #\n# permission to use, prepare derivative works of, and distribute copies #\n# of their work in the CMAQ system to the public and to permit others #\n# to do so. The United States Environmental Protection Agency #\n# therefore grants similar permission to use the CMAQ system software, #\n# but users are requested to provide copies of derivative works or #\n# products designed to operate in the CMAQ system to the United States #\n# Government without restrictions as to use by others. Software #\n# that is used with the CMAQ system but distributed under the GNU #\n# General Public License or the GNU Lesser General Public License is #\n# subject to their copyright restrictions. #\n#------------------------------------------------------------------------------#\n\n.SUFFIXES:\n.SUFFIXES: .o .f90 .F90\n\nMODEL = mcip.exe\n\n#...Portland Group Fortran\n###FC = /usr/local/apps/nvidia/Linux_x86_64/22.11/compilers/bin/nvfortran\n###NETCDF = /usr/local/apps/netcdf-4.9.2/nvhpc-22.11\n###IOAPI_ROOT = /usr/local/apps/ioapi-3.2/nvhpc-22.11\n###FFLAGS = -g -O0 -Ktrap=unf -Ktrap=ovf -Ktrap=divz -Ktrap=inv -Ktrap=fp \\\n### -Ktrap=inexact -pc 32 -Mbounds -Mchkptr -Kieee \\\n### -Minform,inform -Mfree -byteswapio -I$(NETCDF)/include \\\n### -I$(IOAPI_ROOT)/Linux2_x86_64pg\n###FFLAGS = -O4 -fastsse -pc 32 -Mfree -byteswapio -I$(NETCDF)/include \\\n### -I$(IOAPI_ROOT)/Linux2_x86_64pg\n###LIBS = -L$(IOAPI_ROOT)/Linux2_x86_64pg -lioapi \\\n###\t -L$(NETCDF)/lib -lnetcdff -lnetcdf\n\n#...gfortran\n###FC\t= gfortran\n###NETCDF = /usr/local/apps/netcdf-4.9.2/gcc-8.5\n###IOAPI_ROOT = /usr/local/apps/ioapi-3.2/gcc-8.5\n###FFLAGS\t= -O3 -I$(NETCDF)/include -I$(IOAPI_ROOT)/Linux2_x86_64\n###FFLAGS\t= -g -O0 \\\n### -ffpe-trap='invalid','zero','overflow','underflow' \\\n### -I$(NETCDF)/include -I$(IOAPI_ROOT)/Linux2_x86_64\n###LIBS = -L$(IOAPI_ROOT)/Linux2_x86_64 -lioapi \\\n### -L$(NETCDF)/lib -lnetcdff -lnetcdf\n\n#...Intel Fortran\nFC = ifort\nNETCDF = /usr/local/apps/netcdf-4.9.2/intel-21.4\nIOAPI_ROOT = /usr/local/apps/ioapi-3.2/intel-21.4\n###FFLAGS = -g -O0 -check all -C -traceback -FR -I$(NETCDF)/include \\\n### -I$(IOAPI_ROOT)/Linux2_x86_64ifort\nFFLAGS = -O3 -traceback -FR -I$(NETCDF)/include \\\n\t -I$(IOAPI_ROOT)/Linux2_x86_64ifort\nLIBS = -L$(IOAPI_ROOT)/lib -lioapi \\\n\t -L$(NETCDF)/lib -lnetcdff -lnetcdf\n\nDEFS = \n\n\nMODULES =\\\n const_mod.o \\\n const_pbl_mod.o \\\n coord_mod.o \\\n ctmvars_mod.o \\\n date_time_mod.o \\\n date_pack_mod.o \\\n files_mod.o \\\n lucats_mod.o \\\n mcipparm_mod.o \\\n metinfo_mod.o \\\n metvars_mod.o \\\n netcdf_io_mod.o \\\n vgrd_mod.o \\\n xvars_mod.o\n \nOBJS =\\\n mcip.o \\\n alloc_ctm.o \\\n alloc_met.o \\\n alloc_x.o \\\n bcldprc_ak.o \\\n blddesc.o \\\n chkwpshdr.o \\\n chkwrfhdr.o \\\n close_files.o \\\n comheader.o \\\n comheader_lufrac.o \\\n comheader_mos.o \\\n comheader_soi.o \\\n ctmout.o \\\n ctmproc.o \\\n dealloc_ctm.o \\\n dealloc_met.o \\\n dealloc_x.o \\\n detangle_soil_px.o \\\n e_aerk.o \\\n dynflds.o \\\n getluse.o \\\n getmet.o \\\n getpblht.o \\\n getpsih.o \\\n getsdt.o \\\n graceful_stop.o \\\n gridout.o \\\n gridproc.o \\\n init_ctm.o \\\n init_io.o \\\n init_met.o \\\n init_x.o \\\n julian.o \\\n layht.o \\\n ll2xy_lam.o \\\n ll2xy_lam_sec.o \\\n ll2xy_lam_tan.o \\\n ll2xy_merc.o \\\n ll2xy_ps.o \\\n locate.o \\\n mapfac_lam.o \\\n mapfac_merc.o \\\n mapfac_ps.o \\\n metgrid2ctm.o \\\n metvars2ctm.o \\\n outclog.o \\\n outcm3io.o \\\n outglog.o \\\n outgm3io.o \\\n outncf.o \\\n outncfbdy.o \\\n outncfglobal.o \\\n pblsup.o \\\n ptemp.o \\\n pvs.o \\\n qsat.o \\\n rdwrfem.o \\\n readnml.o \\\n resistcalc.o \\\n setgriddefs.o \\\n setup.o \\\n setup_wrfem.o \\\n sfclayer.o \\\n statflds.o \\\n vertarys.o \\\n vertnhy_wrf.o \\\n vstamp.o \\\n vtemp.o \\\n wind.o \\\n wrfemopts.o \\\n wrgdesc.o \\\n xy2ll_lam.o \\\n xy2ll_merc.o\n\nall:\n\t@$(MAKE) $(MODULES)\n\t@$(MAKE) $(MODEL)\n\n$(MODEL): $(OBJS)\n\t$(FC) -o $(MODEL) $(FFLAGS) $(OBJS) $(MODULES) $(LIBS)\n\n$(OBJS): $(MODULES)\n\n.f90.o:\n\t$(FC) $(FFLAGS) $(INCLUDES) -c $<\n\n.F90.o:\n\t$(FC) $(FFLAGS) $(INCLUDES) -c $< $(DEFS)\n\nclean:\n\trm -f *.o *.mod *.il $(MODEL)\n" }, { "path": "PREP/mcip/src/alloc_ctm.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nSUBROUTINE alloc_ctm\n\n!-------------------------------------------------------------------------------\n! Name: Allocate Arrays for CTM Dimensions\n! Purpose: Allocate arrays based on CTM grid.\n! Revised: 14 Sep 2001 Original version. (T. Otte)\n! 27 Feb 2002 Renamed SURF2 as WIND10. Removed RIB. (T. Otte)\n! 18 Mar 2003 Removed JDRATE. (T. Otte)\n! 09 Jun 2003 Added SNOCOV to METCRO2D. (D. Schwede)\n! Removed extraneous variables from output. (T. Otte)\n! 09 Aug 2004 Added JACOBS, WSPD10, WDIR10, SOIM1, SOIM2, SOIT1,\n! SOIT2, SLTYP, JACOBF, QG, TEMP2, and LAI. Restored\n! GRIDBDY2D file to output. Modified code so that arrays\n! are made available in output only if user options in\n! MM5 generate those data. (T. Otte and D. Schwede)\n! 29 Nov 2004 Added PURB. (T. Otte)\n! 25 Feb 2005 Eliminated GRIDCRO3D for hydrostatic runs. (T. Otte)\n! 19 Aug 2005 Moved VD_C from a pointer to MC2 to an individual\n! array that is allocated in ALLOC_DEPV. (T. Otte)\n! 14 Jul 2006 Updated condition for GRID_CRO_3D fields to reflect\n! new vertical structure indicator for WRF. Added\n! new output field LWMASK. (T. Otte)\n! 25 Jul 2007 Removed TEM1P5 and TEMP10. Write TEMP2 regardless\n! of whether or not it is part of input meteorology.\n! Added VEG to output, made LAI a general output field,\n! and added WR to output to support inline dry\n! deposition velocity calculations in CCTM. Added\n! fractional land use. Removed RBNDYI and JACOBS.\n! (T. Otte)\n! 21 Apr 2008 Replaced NBNDYD with NBNDY in allocation of boundary\n! arrays. Added 2-m mixing ratio (Q2_C) and turbulent\n! kinetic energy (TKE_C and TKE_B) arrays. (T. Otte)\n! 29 Oct 2009 Added potential vorticity (PVC_C and PVC_B). Added\n! latitude, longitude, and map-scale factors squared\n! on U and V faces to GRIDDOT2D. Allow output variable\n! PURB to be created with urban model in WRF. Remove\n! vertical velocity (predicted by the meteorological\n! model; WWIND) from output by default; retain user\n! option to output 3D field. Add user option to output\n! u- and v-component winds (UWINDC and VWINDC) on\n! C-staggered grid. (T. Otte)\n! 14 Dec 2010 Added sea ice. (T. Otte)\n! 11 Aug 2011 Replaced module PARMS3 with I/O API module M3UTILIO.\n! (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n! 10 Apr 2015 Added new arrays CFRAC3D_C and CFRAC3D_B to pass 3D\n! resolved cloud fraction to output. (T. Spero)\n! 20 Aug 2015 Changed latent heat flux from QFX to LH. (T. Spero)\n! 16 Mar 2018 Added SNOWH to METCRO2D output. Added 3d soil, land\n! use and mosaic arrays. (T. Spero)\n! 27 Jun 2018 Consolidated output variables into a single module\n! CTMVARS. Allocate data structures. (T. Spero)\n! 14 Sep 2018 Removed support for MM5v3 input. (T. Spero)\n! 18 Dec 2018 Updated to use new data structures. (T. Spero)\n! 18 Jun 2019 Added new surface variables with PX LSM that can\n! improve dust simulation in CCTM. Changed variable\n! LUVCOUT to LUVBOUT to reflect that the default 3D wind\n! components are on the Arakawa-C staggered grid, and\n! the optional additional 3D winds are on the Arakawa-B\n! staggered grid. Added optional variables from KF\n! convective scheme with radiative feedbacks. (T. Spero)\n!-------------------------------------------------------------------------------\n\n USE coord\n USE vgrd\n USE metinfo\n USE mcipparm\n USE ctmvars\n\n IMPLICIT NONE\n\n INTEGER :: nn\n\n INTEGER :: nwr\n INTEGER :: nsoil2d\n INTEGER :: npxwrf41\n\n INTEGER :: ntke\n INTEGER :: npv\n INTEGER :: nwout\n INTEGER :: ncld3d\n INTEGER :: nkfrad\n\n!-------------------------------------------------------------------------------\n! Allocate grid arrays for COORD.\n!-------------------------------------------------------------------------------\n\n ALLOCATE ( vglvs_gd ( nlays+1 ) )\n ALLOCATE ( x3face_gd ( 0:nlays ) )\n\n!-------------------------------------------------------------------------------\n! Allocate grid arrays for VGRD.\n!-------------------------------------------------------------------------------\n\n ALLOCATE ( x3face ( 0:nlays ) )\n ALLOCATE ( x3midl ( nlays ) )\n\n!-------------------------------------------------------------------------------\n! Time-independent 2d fields at cell centers.\n!-------------------------------------------------------------------------------\n\n nfld2dxy = 6\n IF ( iflufrc ) THEN\n nfld2dxy = nfld2dxy + 1 ! adds PURB\n ENDIF\n\n ALLOCATE ( fld2dxy ( nfld2dxy ) )\n\n DO nn = 1, nfld2dxy\n ALLOCATE ( fld2dxy(nn)%fld(ncols,nrows) )\n ALLOCATE ( fld2dxy(nn)%bdy(nbndy) )\n ENDDO\n\n g_lat => fld2dxy( 1)\n g_lon => fld2dxy( 2)\n g_msfx2 => fld2dxy( 3)\n g_ht => fld2dxy( 4)\n g_dluse => fld2dxy( 5)\n g_lwmask => fld2dxy( 6)\n\n IF ( iflufrc ) THEN\n g_purb => fld2dxy( 7)\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Time-independent 2d fields at cell corners and cell faces.\n!\n! These arrays are all set to the dot-point dimensions to accommodate the\n! false dot points in the Arakawa-C staggered grid that are output in\n! Models-3 I/O API \"DOT\" files. When the output is written in netCDF, the\n! true dimensions of the Arakawa-C staggered fields are used.\n!-------------------------------------------------------------------------------\n\n nfld2dxy_d = 9\n\n ALLOCATE ( fld2dxy_d ( nfld2dxy_d ) )\n\n DO nn = 1, nfld2dxy_d\n ALLOCATE ( fld2dxy_d(nn)%fld(ncols+1,nrows+1) )\n ENDDO\n\n g_latd => fld2dxy_d( 1)\n g_lond => fld2dxy_d( 2)\n g_msfd2 => fld2dxy_d( 3)\n g_latu => fld2dxy_d( 4)\n g_lonu => fld2dxy_d( 5)\n g_msfu2 => fld2dxy_d( 6)\n g_latv => fld2dxy_d( 7)\n g_lonv => fld2dxy_d( 8)\n g_msfv2 => fld2dxy_d( 9)\n\n!-------------------------------------------------------------------------------\n! Time-independent 3d fields (fractional land use) at cell centers.\n!-------------------------------------------------------------------------------\n\n IF ( iflufrc ) THEN\n\n nfld3dxyl = 1\n ALLOCATE ( fld3dxyl ( nfld3dxyl ) )\n\n DO nn = 1, nfld3dxyl\n ALLOCATE ( fld3dxyl(nn)%fld(ncols,nrows,nummetlu) )\n ENDDO\n\n g_lufrac => fld3dxyl( 1)\n\n ELSE\n\n nfld3dxyl = 0\n\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Time-varying 2d fields at cell centers.\n!-------------------------------------------------------------------------------\n\n IF ( ifwr ) THEN\n nwr = 1 ! WR\n ELSE\n nwr = 0\n ENDIF\n\n IF ( ifsoil ) THEN\n nsoil2d = 5 ! SOIM1, SOIM2, SOIT1, SOIT2, SLTYP\n ELSE\n nsoil2d = 0\n ENDIF\n\n IF ( ifpxwrf41 ) THEN\n npxwrf41 = 6 ! WSAT_PX, WFC_PX, WWLT_PX, CSAND_PX, FMSAND_PX, CLAY_PX\n ELSE\n npxwrf41 = 0\n ENDIF\n\n nfld2dxyt = 29 + nwr + nsoil2d + npxwrf41\n\n ALLOCATE ( fld2dxyt ( nfld2dxyt ) )\n\n DO nn = 1, nfld2dxyt\n ALLOCATE ( fld2dxyt(nn)%fld(ncols,nrows) )\n ENDDO\n\n c_prsfc => fld2dxyt( 1)\n c_ustar => fld2dxyt( 2)\n c_wstar => fld2dxyt( 3)\n c_pbl => fld2dxyt( 4)\n c_zruf => fld2dxyt( 5)\n c_moli => fld2dxyt( 6)\n c_hfx => fld2dxyt( 7)\n c_lh => fld2dxyt( 8)\n c_radyni => fld2dxyt( 9)\n c_rstomi => fld2dxyt(10)\n c_tempg => fld2dxyt(11)\n c_temp2 => fld2dxyt(12)\n c_q2 => fld2dxyt(13)\n c_wspd10 => fld2dxyt(14)\n c_wdir10 => fld2dxyt(15)\n c_glw => fld2dxyt(16)\n c_gsw => fld2dxyt(17)\n c_rgrnd => fld2dxyt(18)\n c_rn => fld2dxyt(19)\n c_rc => fld2dxyt(20)\n c_cfrac => fld2dxyt(21)\n c_cldt => fld2dxyt(22)\n c_cldb => fld2dxyt(23)\n c_wbar => fld2dxyt(24)\n c_snocov => fld2dxyt(25)\n c_veg => fld2dxyt(26)\n c_lai => fld2dxyt(27)\n c_seaice => fld2dxyt(28)\n c_snowh => fld2dxyt(29)\n\n IF ( ifwr ) THEN\n c_wr => fld2dxyt(29+nwr)\n ENDIF\n\n IF ( ifsoil ) THEN\n c_soim1 => fld2dxyt(29+nwr+1)\n c_soim2 => fld2dxyt(29+nwr+2)\n c_soit1 => fld2dxyt(29+nwr+3)\n c_soit2 => fld2dxyt(29+nwr+4)\n c_sltyp => fld2dxyt(29+nwr+5)\n ENDIF\n\n IF ( ifpxwrf41 ) THEN\n c_wsat_px => fld2dxyt(29+nwr+nsoil2d+1)\n c_wfc_px => fld2dxyt(29+nwr+nsoil2d+2)\n c_wwlt_px => fld2dxyt(29+nwr+nsoil2d+3)\n c_csand_px => fld2dxyt(29+nwr+nsoil2d+4)\n c_fmsand_px => fld2dxyt(29+nwr+nsoil2d+5)\n c_clay_px => fld2dxyt(29+nwr+nsoil2d+6)\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Time-varying 3d fields at cell centers.\n!-------------------------------------------------------------------------------\n\n IF ( iftke ) THEN\n ntke = 1 ! TKE\n ELSE\n ntke = 0\n ENDIF\n\n IF ( lpv > 0 ) THEN\n npv = 1 ! PV\n ELSE\n npv = 0\n ENDIF\n\n IF ( lwout > 0 ) THEN\n nwout = 1 ! WWIND\n ELSE\n nwout = 0\n ENDIF\n\n IF ( ifcld3d ) THEN\n ncld3d = 1 ! CFRAC_3D\n ELSE\n ncld3d = 0\n ENDIF\n\n nfld3dxyzt = 10 + ntke + npv + nwout + ncld3d\n\n ALLOCATE ( fld3dxyzt ( nfld3dxyzt ) )\n\n DO nn = 1, nfld3dxyzt\n ALLOCATE ( fld3dxyzt(nn)%fld(ncols,nrows,nlays) )\n ALLOCATE ( fld3dxyzt(nn)%bdy(nbndy,nlays) )\n ENDDO\n\n c_jacobf => fld3dxyzt( 1)\n c_jacobm => fld3dxyzt( 2)\n c_densa_j => fld3dxyzt( 3)\n c_what_jd => fld3dxyzt( 4)\n c_ta => fld3dxyzt( 5)\n c_qv => fld3dxyzt( 6)\n c_pres => fld3dxyzt( 7)\n c_dens => fld3dxyzt( 8)\n c_zh => fld3dxyzt( 9)\n c_zf => fld3dxyzt(10)\n\n IF ( iftke ) THEN\n c_tke => fld3dxyzt(10+ntke)\n ENDIF\n\n IF ( lpv > 0 ) THEN\n c_pv => fld3dxyzt(10+ntke+npv)\n ENDIF\n\n IF ( lwout > 0 ) THEN\n c_wwind => fld3dxyzt(10+ntke+npv+nwout)\n ENDIF\n\n IF ( ifcld3d ) THEN\n c_cfrac_3d => fld3dxyzt(10+ntke+npv+nwout+ncld3d)\n ENDIF\n \n\n IF ( ifkfradextras ) THEN\n nkfrad = 4\n ELSE\n nkfrad = 0\n ENDIF\n\n nfld3dxyzt_q = nqspecies + nkfrad\n\n IF ( nqspecies > 0 ) THEN\n\n ALLOCATE ( fld3dxyzt_q ( nfld3dxyzt_q ) )\n\n DO nn = 1, nfld3dxyzt_q\n ALLOCATE ( fld3dxyzt_q(nn)%fld(ncols,nrows,nlays) )\n ALLOCATE ( fld3dxyzt_q(nn)%bdy(nbndy,nlays) )\n ENDDO\n\n c_qc => fld3dxyzt_q(1)\n c_qr => fld3dxyzt_q(2)\n\n IF ( nqspecies >= 4 ) THEN\n c_qi => fld3dxyzt_q(3)\n c_qs => fld3dxyzt_q(4)\n IF ( nqspecies >= 5 ) THEN\n c_qg => fld3dxyzt_q(5)\n ENDIF\n ENDIF\n\n IF ( ifkfradextras ) THEN\n c_qc_cu => fld3dxyzt_q(nqspecies+1)\n c_qi_cu => fld3dxyzt_q(nqspecies+2)\n c_cldfra_dp => fld3dxyzt_q(nqspecies+3)\n c_cldfra_sh => fld3dxyzt_q(nqspecies+4)\n ENDIF\n\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Time-varying 3d fields at cell corners and cell faces.\n!\n! These arrays are all set to the dot-point dimensions to accommodate the\n! false dot points in the Arakawa-C staggered grid that are output in\n! Models-3 I/O API \"DOT\" files. When the output is written in netCDF, the\n! true dimensions of the Arakawa-C staggered fields are used.\n!-------------------------------------------------------------------------------\n\n IF ( luvbout > 0 ) THEN\n nfld3dxyzt_d = 6\n ELSE\n nfld3dxyzt_d = 4\n ENDIF\n\n ALLOCATE ( fld3dxyzt_d ( nfld3dxyzt_d ) )\n\n DO nn = 1, nfld3dxyzt_d\n ALLOCATE ( fld3dxyzt_d(nn)%fld(ncols+1,nrows+1,nlays) )\n ENDDO\n\n c_uwindc => fld3dxyzt_d( 1)\n c_vwindc => fld3dxyzt_d( 2)\n c_uhat_jd => fld3dxyzt_d( 3)\n c_vhat_jd => fld3dxyzt_d( 4)\n\n IF ( luvbout > 0 ) THEN\n c_uwind => fld3dxyzt_d( 5)\n c_vwind => fld3dxyzt_d( 6)\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Time-varying 3d fields (soil layers) at cell centers.\n!-------------------------------------------------------------------------------\n\n IF ( ifsoil ) THEN\n\n nfld3dxyst = 2\n\n ALLOCATE ( fld3dxyst ( nfld3dxyst ) )\n\n DO nn = 1, nfld3dxyst\n ALLOCATE ( fld3dxyst(nn)%fld(ncols,nrows,metsoi) )\n ENDDO\n\n c_soit3d => fld3dxyst( 1)\n c_soim3d => fld3dxyst( 2)\n\n ELSE\n\n nfld3dxyst = 0\n\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Time-varying 3d fields (mosaic land use categories) at cell centers.\n!-------------------------------------------------------------------------------\n\n IF ( ifmosaic ) THEN\n\n nfld3dxymt = 7\n\n ALLOCATE ( fld3dxymt ( nfld3dxymt ) )\n\n DO nn = 1, nfld3dxymt\n ALLOCATE ( fld3dxymt(nn)%fld(ncols,nrows,nummosaic) )\n ENDDO\n\n c_lufrac2 => fld3dxymt( 1)\n c_moscat => fld3dxymt( 2)\n c_lai_mos => fld3dxymt( 3)\n c_rai_mos => fld3dxymt( 4)\n c_rsi_mos => fld3dxymt( 5)\n c_tsk_mos => fld3dxymt( 6)\n c_znt_mos => fld3dxymt( 7)\n\n ELSE\n\n nfld3dxymt = 0\n\n ENDIF\n\nEND SUBROUTINE alloc_ctm\n" }, { "path": "PREP/mcip/src/alloc_met.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nSUBROUTINE alloc_met\n\n!-------------------------------------------------------------------------------\n! Name: Allocate Meteorology Variables\n! Purpose: Allocate arrays for input meteorology variables.\n! Revised: 10 Sep 2001 Original version. (T. Otte)\n! 29 May 2003 Added SNOWCOVR. (D. Schwede)\n! 09 Aug 2004 Added QGA, VEGOLD, and T2. (D. Schwede and T. Otte)\n! 29 Nov 2004 Added LUFRAC. (T. Otte)\n! 04 Apr 2005 Changed array dimensions from I,J to X,Y to make code\n! more general. Now all meteorology arrays will have\n! the east-west index first, as opposed to the standard\n! MM5 convention. For MM5 input, arrays are transposed\n! to the new convention in either RDMM5V2 or RDMM5V3.\n! Removed unused variables REGIME and MAVAIL. Added PH,\n! PHB, PB, MU, and MUB for WRF. Added U10 and V10.\n! (T. Otte and S.-B. Kim)\n! 11 Aug 2005 Removed unused variable FSOIL. (T. Otte)\n! 25 Jul 2007 Removed internal variables for emissivity and net\n! radiation. Eliminated logical variable \"PX\" to make\n! code more general. (T. Otte)\n! 05 May 2008 Added 2-m mixing ratio (Q2) and turbulent kinetic\n! energy (TKE) arrays. Added urban fraction (FRC_URB)\n! and urban roughness length (Z0C_URB2D) for\n! MET_UCMCALL=1. (T. Otte)\n! 29 Oct 2009 Changed MET_UCMCALL to MET_URBAN_PHYS, and allowed\n! for variable to be set to be greater than 1. Added\n! THETA and CORIOLIS for when potential vorticity is\n! needed. Added LATU, LONU, MAPU, LATV, LONV, and\n! and MAPV. Removed Z0C_URB2D. (T. Otte)\n! 15 Dec 2010 Added sea ice. Added tipping buckets for convective\n! and non-convective precipitation. (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n! 11 Sep 2012 Added LANDMASK to be read from WRF. (T. Otte)\n! 10 Apr 2015 Added new array CLDFRA to pass 3D resolved cloud\n! fraction to output. (T. Spero)\n! 21 Aug 2015 Changed latent heat flux from QFX to LH. Fill THETA\n! and add moisture flux (QFX) for IFMOLACM. (T. Spero)\n! 17 Sep 2015 Changed IFMOLACM to IFMOLPX. (T. Spero)\n! 16 Mar 2018 Added SNOWH to output. Added C1H, C2H, C1F, and C2F to\n! support hybrid vertical coordinate in WRF. Added\n! LUFRAC2, MOSCATIDX, ZNT_MOS, TSK_MOS, RA_MOS, RS_MOS,\n! and LAI_MOS for NOAH Mosaic land-surface model.\n! Added DZS, SOIT3D, and SOIM3D. Added WSPDSFC and\n! XLAIDYN for Noah. (T. Spero)\n! 27 Jun 2018 Removed local aliases for dimensions of input\n! meteorological fields. (T. Spero)\n! 14 Sep 2018 Changed condition to enable hybrid vertical coordinate\n! from WRF. Removed support for MM5v3 input. (T. Spero)\n! 18 Jun 2019 Added new surface variables with PX LSM that can\n! improve dust simulation in CCTM. Added optional\n! variables from KF convective scheme with radiative\n! feedbacks. (T. Spero)\n!-------------------------------------------------------------------------------\n\n USE metinfo\n USE metvars\n USE mcipparm\n\n IMPLICIT NONE\n\n!-------------------------------------------------------------------------------\n! Allocate time-invariant fields.\n!-------------------------------------------------------------------------------\n\n ALLOCATE ( albedo (met_nx, met_ny) ) ! time varying in P-X LSM\n ALLOCATE ( landmask (met_nx, met_ny) ) ! time varying in NOAH LSM\n ALLOCATE ( landuse (met_nx, met_ny) )\n ALLOCATE ( latcrs (met_nx, met_ny) )\n ALLOCATE ( latdot (met_nx, met_ny) )\n ALLOCATE ( latu (met_nx, met_ny) )\n ALLOCATE ( latv (met_nx, met_ny) )\n ALLOCATE ( loncrs (met_nx, met_ny) )\n ALLOCATE ( londot (met_nx, met_ny) )\n ALLOCATE ( lonu (met_nx, met_ny) )\n ALLOCATE ( lonv (met_nx, met_ny) )\n ALLOCATE ( mapcrs (met_nx, met_ny) )\n ALLOCATE ( mapdot (met_nx, met_ny) )\n ALLOCATE ( mapu (met_nx, met_ny) )\n ALLOCATE ( mapv (met_nx, met_ny) )\n ALLOCATE ( sigmaf (met_nz+1) )\n ALLOCATE ( sigmah (met_nz) )\n ALLOCATE ( terrain (met_nx, met_ny) )\n ALLOCATE ( znt (met_nx, met_ny) )\n\n IF ( iflufrc ) THEN\n ALLOCATE ( lufrac (met_nx, met_ny, nummetlu) )\n IF ( ifmosaic ) THEN\n ALLOCATE ( lufrac2 (met_nx, met_ny, nummetlu) )\n ALLOCATE ( moscatidx (met_nx, met_ny, nummetlu) )\n ENDIF\n ENDIF\n\n IF ( lpv > 0 ) THEN ! potential vorticity; get Coriolis\n ALLOCATE ( coriolis (met_nx, met_ny) )\n ENDIF\n\n IF ( met_hybrid >= 0 ) THEN\n ALLOCATE ( c1f (met_nz+1) )\n ALLOCATE ( c1h (met_nz) )\n ALLOCATE ( c2f (met_nz+1) )\n ALLOCATE ( c2h (met_nz) )\n ENDIF\n\n IF ( met_ns > 0 ) THEN\n ALLOCATE ( dzs (met_ns) )\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Allocate time-varying fields.\n!-------------------------------------------------------------------------------\n\n ALLOCATE ( glw (met_nx, met_ny) )\n ALLOCATE ( groundt (met_nx, met_ny) )\n ALLOCATE ( hfx (met_nx, met_ny) )\n ALLOCATE ( i_rainc (met_nx, met_ny) )\n ALLOCATE ( i_rainnc(met_nx, met_ny) )\n ALLOCATE ( ircold (met_nx, met_ny) )\n ALLOCATE ( irnold (met_nx, met_ny) )\n ALLOCATE ( lh (met_nx, met_ny) )\n ALLOCATE ( pp (met_nx, met_ny, met_nz) )\n ALLOCATE ( psa (met_nx, met_ny) )\n ALLOCATE ( qca (met_nx, met_ny, met_nz) )\n ALLOCATE ( qga (met_nx, met_ny, met_nz) )\n ALLOCATE ( qia (met_nx, met_ny, met_nz) )\n ALLOCATE ( qra (met_nx, met_ny, met_nz) )\n ALLOCATE ( qsa (met_nx, met_ny, met_nz) )\n ALLOCATE ( qva (met_nx, met_ny, met_nz) )\n ALLOCATE ( raincon (met_nx, met_ny) )\n ALLOCATE ( rainnon (met_nx, met_ny) )\n ALLOCATE ( rcold (met_nx, met_ny) ) ! save this variable on each call\n ALLOCATE ( rgrnd (met_nx, met_ny) )\n ALLOCATE ( rnold (met_nx, met_ny) ) ! save this variable on each call\n ALLOCATE ( seaice (met_nx, met_ny) )\n ALLOCATE ( snowcovr(met_nx, met_ny) )\n ALLOCATE ( snowh (met_nx, met_ny) )\n ALLOCATE ( ta (met_nx, met_ny, met_nz) )\n ALLOCATE ( ua (met_nx, met_ny, met_nz) )\n ALLOCATE ( ust (met_nx, met_ny) )\n ALLOCATE ( va (met_nx, met_ny, met_nz) )\n ALLOCATE ( wa (met_nx, met_ny, met_nz+1) )\n ALLOCATE ( zpbl (met_nx, met_ny) )\n\n IF ( ift2m ) THEN ! 2-m temperature available\n ALLOCATE ( t2 (met_nx, met_ny) )\n ENDIF\n\n IF ( ifq2m ) THEN ! 2-m mixing ratio available\n ALLOCATE ( q2 (met_nx, met_ny) )\n ENDIF\n\n IF ( ifw10m ) THEN ! 10-m wind components available\n ALLOCATE ( u10 (met_nx, met_ny) )\n ALLOCATE ( v10 (met_nx, met_ny) )\n ENDIF\n\n IF ( met_model == 2 ) THEN ! WRF\n ALLOCATE ( mu (met_nx, met_ny) )\n ALLOCATE ( mub (met_nx, met_ny) )\n ALLOCATE ( pb (met_nx, met_ny, met_nz) )\n ALLOCATE ( ph (met_nx, met_ny, met_nz+1) )\n ALLOCATE ( phb (met_nx, met_ny, met_nz+1) )\n ENDIF\n\n IF ( iflai ) THEN ! leaf area index available\n ALLOCATE ( lai (met_nx, met_ny) )\n ENDIF\n\n IF ( ifmol ) THEN ! Monin-Obukhov length available\n ALLOCATE ( mol (met_nx, met_ny) )\n ENDIF\n\n IF ( ifresist ) THEN ! aerodynamic and stomatal resistances available\n ALLOCATE ( ra (met_nx, met_ny) )\n ALLOCATE ( rstom (met_nx, met_ny) )\n ENDIF\n\n IF ( ifveg ) THEN ! vegetation fraction available\n ALLOCATE ( veg (met_nx, met_ny) )\n ENDIF\n\n IF ( ifwr ) THEN ! canopy wetness available\n ALLOCATE ( wr (met_nx, met_ny) )\n ENDIF\n\n IF ( ifsoil ) THEN ! soil moisture, temperature, and type available\n ALLOCATE ( isltyp (met_nx, met_ny) )\n ALLOCATE ( soilt1 (met_nx, met_ny) )\n ALLOCATE ( soilt2 (met_nx, met_ny) )\n ALLOCATE ( w2 (met_nx, met_ny) )\n ALLOCATE ( wg (met_nx, met_ny) )\n ALLOCATE ( soim3d (met_nx, met_ny, met_ns) )\n ALLOCATE ( soit3d (met_nx, met_ny, met_ns) )\n ENDIF\n\n IF ( iftke ) THEN ! turbulent kinetic energy available\n IF ( iftkef ) THEN ! TKE on full-levels\n ALLOCATE ( tke (met_nx, met_ny, met_nz+1) )\n ELSE ! TKE on half-levels\n ALLOCATE ( tke (met_nx, met_ny, met_nz) )\n ENDIF\n ENDIF\n\n IF ( lpv > 0 .OR. ifmolpx ) THEN ! need potential temperature\n ALLOCATE ( theta (met_nx, met_ny, met_nz) )\n ENDIF\n\n IF ( ifmolpx ) THEN ! recalculate Monin-Obukhov length for WRF-ACM2\n ALLOCATE ( qfx (met_nx, met_ny) )\n ENDIF\n\n IF ( met_urban_phys >= 1 ) THEN ! urban canopy model in WRF\n ALLOCATE ( frc_urb (met_nx, met_ny) )\n ENDIF\n\n IF ( ifcld3d ) THEN\n ALLOCATE ( cldfra (met_nx, met_ny, met_nz) )\n ENDIF\n\n IF ( ifmosaic ) THEN\n ALLOCATE ( lai_mos (met_nx, met_ny, nummosaic) )\n ALLOCATE ( ra_mos (met_nx, met_ny, nummosaic) )\n ALLOCATE ( rs_mos (met_nx, met_ny, nummosaic) )\n ALLOCATE ( tsk_mos (met_nx, met_ny, nummosaic) )\n ALLOCATE ( znt_mos (met_nx, met_ny, nummosaic) )\n ALLOCATE ( wspdsfc (met_nx, met_ny) )\n ALLOCATE ( xlaidyn (met_nx, met_ny) )\n ENDIF\n\n IF ( ifpxwrf41 ) THEN\n ALLOCATE ( lai_px (met_nx, met_ny) )\n ALLOCATE ( wsat_px (met_nx, met_ny) )\n ALLOCATE ( wfc_px (met_nx, met_ny) )\n ALLOCATE ( wwlt_px (met_nx, met_ny) )\n ALLOCATE ( csand_px (met_nx, met_ny) )\n ALLOCATE ( fmsand_px (met_nx, met_ny) )\n ALLOCATE ( clay_px (met_nx, met_ny) )\n ENDIF\n\n IF ( ifkfradextras ) THEN\n ALLOCATE ( qc_cu (met_nx, met_ny, met_nz) )\n ALLOCATE ( qi_cu (met_nx, met_ny, met_nz) )\n ALLOCATE ( cldfra_dp (met_nx, met_ny, met_nz) )\n ALLOCATE ( cldfra_sh (met_nx, met_ny, met_nz) )\n ENDIF\n\nEND SUBROUTINE alloc_met\n" }, { "path": "PREP/mcip/src/alloc_x.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nSUBROUTINE alloc_x\n\n!-------------------------------------------------------------------------------\n! Name: Allocate X Arrays\n! Purpose: Allocate X arrays with MCIP transfer array dimensions.\n! Revised: 19 Sep 2001 Original version. (T. Otte)\n! 14 Jan 2002 Added new dry deposition species, methanol.\n! (Y. Wu and T. Otte)\n! 27 Feb 2002 Renamed SURF2 as WIND10 and SURF1 as TEMP1P5. (T. Otte)\n! 18 Mar 2003 Removed XJDRATE. Expanded dot-point array dimensions\n! to be (NCOLS_X+1, NROWS_X+1). (T. Otte)\n! 09 Jun 2003 Added XF2DEF, XSNOCOV, XDELTA, XLSTWET, and XRH.\n! Added new dry deposition species: N2O5, NO3, and\n! generic aldehyde. Removed dry deposition species,\n! ATRA and ATRAP, from output. (D. Schwede, T. Otte,\n! and J. Pleim)\n! 10 Aug 2004 Added XQGRAUP, XWSPD10, XWDIR10, and XT2. Removed\n! XFLAGS, XINDEX, XNAMES, and XLUSNAME. (T. Otte and\n! D. Schwede)\n! 01 Dec 2004 Added XPURB. (T. Otte)\n! 04 Apr 2005 Removed unused variables XREGIME, XRTOLD, XPRSOLD, and\n! XDENSAM_REF. Moved XDFLUX and XPSRATE as local\n! variables in VERTHYD. Added XMU and XGEOF for WRF.\n! Changed XUU and XVV to XUU_D and XVV_D, and changed\n! XUHAT and XVHAT to XUU_S and XVV_T. Added pointer\n! indices for optional chlorine and mercury species.\n! Removed XENTRP. Added XU10 and XV10. (T. Otte)\n! 19 Aug 2005 Removed XDEPIDX and pointers to XDEPIDX. Moved\n! XDEPSPC and XVD to ALLOC_DEPV. Removed unused\n! variables XCAPG, XMMPASS, and XFSOIL. Removed XRH and\n! made it a local scalar in M3DRY. (T. Otte and\n! W. Hutzell)\n! 14 Jul 2006 Removed XDELTA and XLSTWET to be local variables in\n! M3DRY. Added XLWMASK. (T. Otte)\n! 30 Jul 2007 Added IMPLICIT NONE. Changed XUSTAR and XRADYN\n! to 2D arrays without a dimension for fractional land\n! use that was required for RADMdry. Removed XRBNDY.\n! Removed low, middle, and high cloud arrays. Removed\n! 1.5-m and 10-m temperature arrays. Create 2-m\n! temperature array even if it is not part of input\n! meteorology. Changed 2-m temperature from XT2 to\n! XTEMP2. Removed XRNET and XEMISS. Removed XF2DEF and\n! XRSTMIN to be local variables in RESISTCALC. Added\n! XPSTAR0. (T. Otte)\n! 21 Apr 2008 Added 2-m mixing ratio (XQ2) and turbulent kinetic\n! energy (XTKE) arrays. (T. Otte)\n! 29 Oct 2009 Added land-use category description, XLUDESC. Added\n! potential vorticity (XPVC), Coriolis (XCORL), and\n! potential temperature (XTHETA). Added map-scale\n! factors squared (on cross points, XMAPC2). Added\n! XLATU, XLONU, XMAPU, XLATV, XLONV, and XMAPV. Allow\n! output variable PURB to be created with urban model\n! in WRF. (T. Otte)\n! 14 Dec 2010 Added sea ice. (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n! 10 Apr 2015 Added new array XCFRAC3D to pass 3D resolved cloud\n! fraction to output. (T. Spero)\n! 21 Aug 2015 Changed latent heat flux from QFX to LH. Fill THETA\n! and add moisture flux (QFX) for IFMOLACM. (T. Spero)\n! 17 Sep 2015 Changed IFMOLACM to IFMOLPX. (T. Spero)\n! 16 Mar 2018 Added SNOWH to output. Added XMUHYB to support hybrid\n! vertical coordinate in WRF output. Added XLUFRAC2,\n! XMOSCATIDX, XZNT_MOS, XTSK_MOS, XRA_MOS, XRS_MOS, and\n! XLAI_MOS for NOAH Mosaic land-surface model. Added\n! XZSOIL, and added 3D soil arrays, XSOIT3D and XSOIM3D.\n! Added XWSPDSFC and XXLAIDYN for Noah. (T. Spero)\n! 14 Sep 2018 Changed condition to enable hybrid vertical coordinate\n! in WRF. Removed support for MM5v3 input. (T. Spero)\n! 18 Jun 2019 Added new surface variables with PX LSM that can\n! improve dust simulation in CCTM. Added optional\n! variables from KF convective scheme with radiative\n! feedbacks. (T. Spero)\n!-------------------------------------------------------------------------------\n\n USE mcipparm\n USE xvars\n USE metinfo\n\n IMPLICIT NONE\n\n!-------------------------------------------------------------------------------\n! Scalars and One-Dimensional Arrays \n!-------------------------------------------------------------------------------\n\n ALLOCATE ( xx3face ( 0:metlay ) )\n ALLOCATE ( xx3midl ( metlay ) )\n ALLOCATE ( xdx3 ( metlay ) )\n\n ALLOCATE ( xludesc ( nummetlu ) )\n\n IF ( metsoi > 0 ) THEN\n ALLOCATE ( xzsoil ( metsoi ) )\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Dot-Point and Face 2D Arrays.\n!-------------------------------------------------------------------------------\n\n ALLOCATE ( xlatd (ncols_x+1, nrows_x+1) )\n ALLOCATE ( xlatu (ncols_x+1, nrows_x+1) )\n ALLOCATE ( xlatv (ncols_x+1, nrows_x+1) )\n ALLOCATE ( xlond (ncols_x+1, nrows_x+1) )\n ALLOCATE ( xlonu (ncols_x+1, nrows_x+1) )\n ALLOCATE ( xlonv (ncols_x+1, nrows_x+1) )\n ALLOCATE ( xmapd (ncols_x+1, nrows_x+1) )\n ALLOCATE ( xmapu (ncols_x+1, nrows_x+1) )\n ALLOCATE ( xmapv (ncols_x+1, nrows_x+1) )\n\n!-------------------------------------------------------------------------------\n! Cross-Point 2D Arrays.\n!-------------------------------------------------------------------------------\n\n ALLOCATE ( xlatc (ncols_x, nrows_x) )\n ALLOCATE ( xlonc (ncols_x, nrows_x) )\n ALLOCATE ( xmapc (ncols_x, nrows_x) )\n ALLOCATE ( xmapc2 (ncols_x, nrows_x) )\n ALLOCATE ( xtopo (ncols_x, nrows_x) )\n\n ALLOCATE ( xprsfc (ncols_x, nrows_x) )\n ALLOCATE ( xdenss (ncols_x, nrows_x) )\n ALLOCATE ( xtempg (ncols_x, nrows_x) )\n ALLOCATE ( xrainn (ncols_x, nrows_x) )\n ALLOCATE ( xrainc (ncols_x, nrows_x) )\n ALLOCATE ( xdluse (ncols_x, nrows_x) )\n ALLOCATE ( xlwmask(ncols_x, nrows_x) )\n\n IF ( ( iflufrc ) .OR. ( met_urban_phys >= 1 ) ) THEN\n ALLOCATE ( xpurb (ncols_x, nrows_x) )\n ENDIF\n\n IF ( lpv > 0 ) THEN\n ALLOCATE ( xcorl (ncols_x, nrows_x) )\n ENDIF\n\n IF ( ifmolpx ) THEN\n ALLOCATE ( xqfx (ncols_x, nrows_x) )\n ENDIF\n\n ALLOCATE ( xglw (ncols_x, nrows_x) )\n ALLOCATE ( xgsw (ncols_x, nrows_x) )\n ALLOCATE ( xhfx (ncols_x, nrows_x) )\n ALLOCATE ( xlh (ncols_x, nrows_x) )\n ALLOCATE ( xustar (ncols_x, nrows_x) )\n ALLOCATE ( xpbl (ncols_x, nrows_x) )\n ALLOCATE ( xzruf (ncols_x, nrows_x) )\n ALLOCATE ( xmol (ncols_x, nrows_x) )\n ALLOCATE ( xrgrnd (ncols_x, nrows_x) )\n ALLOCATE ( xwr (ncols_x, nrows_x) )\n ALLOCATE ( xlai (ncols_x, nrows_x) )\n ALLOCATE ( xveg (ncols_x, nrows_x) )\n\n ALLOCATE ( xwstar (ncols_x, nrows_x) )\n ALLOCATE ( xrib (ncols_x, nrows_x) )\n ALLOCATE ( xradyn (ncols_x, nrows_x) )\n ALLOCATE ( xrstom (ncols_x, nrows_x) )\n ALLOCATE ( xtemp2 (ncols_x, nrows_x) )\n ALLOCATE ( xq2 (ncols_x, nrows_x) )\n ALLOCATE ( xwspd10 (ncols_x, nrows_x) )\n ALLOCATE ( xwdir10 (ncols_x, nrows_x) )\n ALLOCATE ( xalbedo (ncols_x, nrows_x) )\n ALLOCATE ( xmavail (ncols_x, nrows_x) )\n ALLOCATE ( xcfract (ncols_x, nrows_x) )\n ALLOCATE ( xcldtop (ncols_x, nrows_x) )\n ALLOCATE ( xcldbot (ncols_x, nrows_x) )\n ALLOCATE ( xwbar (ncols_x, nrows_x) )\n ALLOCATE ( xsnocov (ncols_x, nrows_x) )\n ALLOCATE ( xseaice (ncols_x, nrows_x) )\n ALLOCATE ( xsnowh (ncols_x, nrows_x) )\n\n IF ( met_hybrid >= 0 ) THEN\n ALLOCATE ( xmuhyb (ncols_x, nrows_x) )\n ENDIF\n\n IF ( ifw10m ) THEN\n ALLOCATE ( xu10 (ncols_x, nrows_x) )\n ALLOCATE ( xv10 (ncols_x, nrows_x) )\n ENDIF\n\n IF ( ifsoil ) THEN\n ALLOCATE ( xtga (ncols_x, nrows_x) )\n ALLOCATE ( xt2a (ncols_x, nrows_x) )\n ALLOCATE ( xwga (ncols_x, nrows_x) )\n ALLOCATE ( xw2a (ncols_x, nrows_x) )\n ALLOCATE ( xsltyp (ncols_x, nrows_x) )\n ENDIF\n\n IF ( ifpxwrf41 ) THEN\n ALLOCATE ( xwsat_px (ncols_x, nrows_x) )\n ALLOCATE ( xwfc_px (ncols_x, nrows_x) )\n ALLOCATE ( xwwlt_px (ncols_x, nrows_x) )\n ALLOCATE ( xcsand_px (ncols_x, nrows_x) )\n ALLOCATE ( xfmsand_px (ncols_x, nrows_x) )\n ALLOCATE ( xclay_px (ncols_x, nrows_x) )\n ENDIF\n\n ALLOCATE ( xluse (ncols_x, nrows_x, nummetlu) )\n\n!-------------------------------------------------------------------------------\n! Cross-Point 3D Arrays.\n!-------------------------------------------------------------------------------\n\n ALLOCATE ( xtempm (ncols_x, nrows_x, metlay) )\n ALLOCATE ( xpresm (ncols_x, nrows_x, metlay) )\n ALLOCATE ( xdensam (ncols_x, nrows_x, metlay) )\n ALLOCATE ( xdenswm (ncols_x, nrows_x, metlay) )\n ALLOCATE ( x3jacobf (ncols_x, nrows_x, 0:metlay) )\n ALLOCATE ( x3jacobm (ncols_x, nrows_x, metlay) )\n ALLOCATE ( x3htf (ncols_x, nrows_x, 0:metlay) )\n ALLOCATE ( x3htm (ncols_x, nrows_x, metlay) )\n ALLOCATE ( xwhat (ncols_x, nrows_x, 0:metlay) )\n ALLOCATE ( xwvapor (ncols_x, nrows_x, metlay) )\n ALLOCATE ( xwwind (ncols_x, nrows_x, 0:metlay) )\n ALLOCATE ( xcldwtr (ncols_x, nrows_x, metlay) )\n ALLOCATE ( xranwtr (ncols_x, nrows_x, metlay) )\n ALLOCATE ( xqice (ncols_x, nrows_x, metlay) )\n ALLOCATE ( xqsnow (ncols_x, nrows_x, metlay) )\n ALLOCATE ( xqgraup (ncols_x, nrows_x, metlay) )\n\n IF ( iftke ) THEN\n IF ( iftkef ) THEN\n ALLOCATE ( xtke (ncols_x, nrows_x, 0:metlay) )\n ELSE\n ALLOCATE ( xtke (ncols_x, nrows_x, metlay) )\n ENDIF\n ENDIF\n\n IF ( lpv > 0 ) THEN\n ALLOCATE ( xpvc (ncols_x, nrows_x, metlay) )\n ENDIF\n\n IF ( lpv > 0 .OR. ifmolpx ) THEN\n ALLOCATE ( xtheta (ncols_x, nrows_x, metlay) )\n ENDIF\n\n IF ( ifcld3d ) THEN\n ALLOCATE ( xcfrac3d (ncols_x, nrows_x, metlay) )\n ENDIF\n\n IF ( ifkfradextras ) THEN\n ALLOCATE ( xqc_cu (ncols_x, nrows_x, metlay) )\n ALLOCATE ( xqi_cu (ncols_x, nrows_x, metlay) )\n ALLOCATE ( xcldfrad (ncols_x, nrows_x, metlay) )\n ALLOCATE ( xcldfras (ncols_x, nrows_x, metlay) )\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Dot-Point (and Face-Point) 3D Arrays.\n!-------------------------------------------------------------------------------\n\n ALLOCATE ( xuu_d (ncols_x+1, nrows_x+1, metlay) )\n ALLOCATE ( xvv_d (ncols_x+1, nrows_x+1, metlay) )\n ALLOCATE ( xuu_s (ncols_x+1, nrows_x+1, metlay) )\n ALLOCATE ( xvv_t (ncols_x+1, nrows_x+1, metlay) )\n\n!-------------------------------------------------------------------------------\n! Cross-Point Arrays for Soil.\n!-------------------------------------------------------------------------------\n\n IF ( ifsoil ) THEN\n ALLOCATE ( xsoit3d (ncols_x, nrows_x, metsoi) )\n ALLOCATE ( xsoim3d (ncols_x, nrows_x, metsoi) )\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Cross-Point Arrays for Mosaic.\n!-------------------------------------------------------------------------------\n\n IF ( ifmosaic ) THEN\n ALLOCATE ( xlufrac2 (ncols_x, nrows_x, nummosaic) ) ! <-- input full LU\n ALLOCATE ( xmoscatidx (ncols_x, nrows_x, nummosaic) ) ! <-- input full LU\n ALLOCATE ( xlai_mos (ncols_x, nrows_x, nummosaic) )\n ALLOCATE ( xra_mos (ncols_x, nrows_x, nummosaic) )\n ALLOCATE ( xrs_mos (ncols_x, nrows_x, nummosaic) )\n ALLOCATE ( xtsk_mos (ncols_x, nrows_x, nummosaic) )\n ALLOCATE ( xznt_mos (ncols_x, nrows_x, nummosaic) )\n ALLOCATE ( xwspdsfc (ncols_x, nrows_x) ) ! <-- to be all Noah\n ALLOCATE ( xxlaidyn (ncols_x, nrows_x) ) ! <-- to be all Noah\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Variables for WRF only.\n!-------------------------------------------------------------------------------\n\n IF ( met_model == 2 ) THEN ! WRF\n ALLOCATE ( xmu (ncols_x, nrows_x) )\n ALLOCATE ( xgeof (ncols_x, nrows_x, 0:metlay) )\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Internal Arrays.\n!-------------------------------------------------------------------------------\n\n ALLOCATE ( xdx3htf (ncols_x, nrows_x, metlay) )\n ALLOCATE ( xdensaf (ncols_x, nrows_x, 0:metlay) )\n ALLOCATE ( xpresf (ncols_x, nrows_x, 0:metlay) )\n\nEND SUBROUTINE alloc_x\n" }, { "path": "PREP/mcip/src/bcldprc_ak.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nSUBROUTINE bcldprc_ak\n\n!-------------------------------------------------------------------------------\n! Name: Cloud Processor for Anthes-Kuo Scheme\n! Purpose: Determine the base and top of cloudy layers, as well as the mean\n! water content and fractional area of cloud coverage using JEP H54 \n! cloud and photolysis scheme. (ANTHES-KUO scheme)\n! Revised: 20 Mar 1991 Original version. (CJW)\n! 27 Oct 1995 Modified. (C. Ingram)\n! 05 Feb 1997 Updated for Models-3. (D. Byun)\n! 04 Feb 1998 Changed include method nonglobal includes. (D. Byun)\n! 10 Sep 2001 Converted to free-form f90. Changed CCOV to\n! allocatable. Changed vertical dimension of CCOV\n! from MAXK to METLAY. (T. Otte)\n! 27 Feb 2002 Corrected bug that persisted cloud base arrays when\n! clouds had dissipated. (T. Otte and S. Roselle)\n! 08 Jul 2004 Changed local array allocation to occur only on\n! initial call to subroutine to avoid memory\n! fragmentation. Removed XFLAGS. (T. Otte)\n! 09 Apr 2007 Combined two sets of c,r loops. Changed CCOV from a\n! 3D to a 1D (k-only) array. Removed unused variable\n! PNAME. Removed low, middle, and high cloud\n! calculations. (T. Otte)\n! 01 Sep 2011 Replaced statement functions with external routines.\n! (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n!-------------------------------------------------------------------------------\n\n USE mcipparm\n USE xvars\n USE const\n\n IMPLICIT NONE\n\n INTEGER :: c\n REAL :: cbase\n REAL :: ccmax\n REAL, SAVE, ALLOCATABLE :: ccov ( : )\n REAL :: ctop\n REAL :: dp\n REAL :: dtdp\n REAL, EXTERNAL :: e_aerk\n REAL :: es\n REAL :: frac\n INTEGER :: iflag\n INTEGER :: itr\n INTEGER :: k\n INTEGER :: kbase\n INTEGER :: kct\n INTEGER :: kmx\n INTEGER :: ktop\n REAL, PARAMETER :: mvoma = mwwat / mwair ! 0.622015\n REAL :: pbar\n REAL :: pbase\n REAL :: plcl\n REAL :: qlcl\n REAL :: qs\n REAL, EXTERNAL :: qsat\n REAL :: qwat\n REAL :: qwsa\n INTEGER :: r\n REAL :: rh\n REAL :: rhc\n REAL :: sg1\n REAL :: sumz\n REAL :: tad\n REAL :: tbar\n REAL :: tbase\n REAL :: tlcl\n REAL :: twc\n REAL :: wl\n REAL :: wtbar\n REAL :: x1\n\n!-------------------------------------------------------------------------------\n! Allocate necessary variables.\n!-------------------------------------------------------------------------------\n\n IF ( .NOT. ALLOCATED ( ccov ) ) ALLOCATE ( ccov (metlay) )\n\n!-------------------------------------------------------------------------------\n! Initialize all cloud variables.\n!-------------------------------------------------------------------------------\n\n xwbar (:,:) = 0.0\n xcldbot (:,:) = 0.0\n xcldtop (:,:) = 0.0\n xcfract (:,:) = 0.0\n ccov (:) = 0.0\n\n!-------------------------------------------------------------------------------\n! Loop over grid points to compute cloud coverage, cloud base and top, and\n! average liquid water content in cloud.\n!-------------------------------------------------------------------------------\n\n DO c = 1, ncols_x\n DO r = 1, nrows_x\n\n !-------------------------------------------------------------------------\n ! Define cloud coverage (CCOV).\n !-------------------------------------------------------------------------\n\n kmx = 1\n\n DO k = 1, metlay\n\n ! Define RH and critical RH of all layers.\n\n es = e_aerk( xtempm(c,r,k) - stdtemp )\n qs = qsat( es, xpresm(c,r,k) )\n rh = xwvapor(c,r,k) / qs\n rh = MIN(rh,1.0)\n\n ! Set RHC to at least 98% in PBL - JEP 5/91\n\n IF ( x3htf(c,r,k-1) < xpbl(c,r) ) THEN\n\n rhc = 0.98\n kmx = k\n\n IF ( rh > rhc ) THEN\n\n ! CBL mixing induced clouds should not exceed the frac area of \n ! the updrafts at top of cbl, les estimates are ~34%\n ! (Schumann 89, and Wyngaard and Brost 84)\n\n ccov(k) = 0.34 * ( rh - rhc ) / ( 1.0 - rhc )\n ELSE\n ccov(k) = 0.0\n ENDIF\n\n ELSE\n\n sg1 = xpresm(c,r,k) / xpresm(c,r,kmx)\n rhc = 1.0 - ( 2.0 * sg1 * (1.0-sg1) * (1.0 + 1.732*(sg1-0.5)) )\n\n IF ( rh > rhc ) THEN\n ccov(k) = ( (rh - rhc)/(1.0 - rhc) )**2 ! Geleyn et al., 1982\n ELSE\n ccov(k) = 0.0\n ENDIF\n\n ENDIF\n\n ccov(k) = MAX( MIN( ccov(k), 1.0 ), 0.0 )\n\n ENDDO\n\n !-------------------------------------------------------------------------\n ! Get cloud top and bottom and XWBAR.\n !-------------------------------------------------------------------------\n\n kct = 0\n kbase = 0\n ktop = 0\n ccmax = 0.0\n\n ! Determine level of highest rh relative to RHC.\n\n DO k = 2, metlay-1\n IF ( ccov(k) > ccmax ) THEN\n ccmax = ccov(k)\n kct = k\n ENDIF\n ENDDO\n\n frac = 0.0\n cbase = 0.0\n ctop = 0.0\n wtbar = 0.0\n sumz = 0.0\n\n ! Exit with no cloud values if RH < RHC at all levels.\n\n IF ( ccmax < 0.01 ) THEN\n xcldtop(c,r) = 0.0\n xcldbot(c,r) = 0.0\n CYCLE\n ENDIF\n\n ! Look for cloud top and base layer up and down from level of max RH.\n\n top: DO k = kct, metlay\n ktop = k - 1\n IF ( ccov(k) < 0.5*ccmax ) EXIT top\n ENDDO top\n\n bottom: DO k = kct, 1, -1\n kbase = k + 1\n IF ( ccov(k) < 0.5*ccmax ) EXIT bottom\n ENDDO bottom\n\n DO k = 1, ktop\n IF ( k < kbase ) cbase = cbase + xdx3htf(c,r,k)\n ctop = ctop + xdx3htf(c,r,k)\n ENDDO\n\n xcldtop(c,r) = ctop\n xcldbot(c,r) = cbase\n\n ! We need pres. at the bottom of the lowest layer containing clouds.\n ! Temp. and qv at cloud base are for mid layer values.\n\n plcl = xpresf(c,r,kbase-1)\n\n tlcl = ( plcl - xpresm(c,r,kbase) ) / &\n ( xpresm(c,r,kbase-1) - xpresm(c,r,kbase) ) * &\n ( xtempm(c,r,kbase-1) - xtempm(c,r,kbase) ) + &\n xtempm(c,r,kbase)\n\n es = e_aerk( tlcl - stdtemp )\n qlcl = qsat( es, plcl )\n\n iflag = 0\n pbase = plcl\n tbase = tlcl\n\n ! Follow moist adiabat up.\n\n DO k = kbase, ktop\n\n dp = pbase - xpresm(c,r,k)\n pbar = pbase - dp / 2.0\n tbar = tbase\n\n DO itr = 1, 5\n es = e_aerk( tbar - stdtemp )\n qs = qsat( es, pbar )\n x1 = lv0 * qs / ( rdgas * tbar )\n dtdp = rdgas * tbar / pbar / cpd * ( ( 1.0 + x1 ) / &\n ( 1.0 + mvoma * lv0 / cpd / tbar * x1 ) )\n tad = tbase - dp * dtdp\n tbar = ( tad + tbase ) * 0.5\n ENDDO\n\n ! Determine water content by fraction of adiabatic.\n\n tad = MAX(tad, 150.0)\n IF ( tad > xtempm(c,r,k) ) iflag = 1\n\n ! Pressure in Pascal = cb*1000\n\n wl = 0.7 * EXP( ( xpresm(c,r,k) - plcl ) / 8000.0 ) + 0.2\n es = e_aerk( tad - stdtemp )\n qwsa = qsat( es, xpresm(c,r,k) )\n\n qwat = wl * ( qlcl - qwsa )\n qwat = MAX(qwat, 0.0)\n\n twc = qwat * xpresm(c,r,k) * 1.0e3 / rdgas / xtempm(c,r,k)\n\n wtbar = wtbar + twc * xdx3htf(c,r,k)\n\n frac = frac + ccov(k) * xdx3htf(c,r,k)\n sumz = sumz + xdx3htf(c,r,k)\n tbase = tad\n pbase = xpresm(c,r,k)\n \n ENDDO\n\n xcfract(c,r) = frac / sumz\n xwbar (c,r) = wtbar / sumz\n\n IF ( xcfract(c,r) < 0.001 ) THEN\n xcldtop(c,r) = 0.0\n xcldbot(c,r) = 0.0\n ENDIF\n\n IF ( xwbar(c,r) == 0.0 ) THEN\n xcldtop(c,r) = 0.0\n xcldbot(c,r) = 0.0\n xcfract(c,r) = 0.0\n CYCLE\n ENDIF\n\n ! If stable environment, use alternate water content expression.\n\n IF ( iflag == 0 ) THEN\n wtbar = 0.0\n DO k = kbase, ktop\n twc = 0.05e3 * xwvapor(c,r,k) * xpresm(c,r,k) / &\n rdgas / xtempm(c,r,k)\n wtbar = wtbar + twc * xdx3htf(c,r,k)\n ENDDO\n xwbar(c,r) = wtbar / sumz\n ENDIF\n\n ENDDO\n ENDDO\n\n!-------------------------------------------------------------------------------\n! Deallocate variables.\n!-------------------------------------------------------------------------------\n\n! DEALLOCATE ( ccov ) ! commented out to avoid memory fragmentation\n\nEND SUBROUTINE bcldprc_ak\n" }, { "path": "PREP/mcip/src/blddesc.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nSUBROUTINE blddesc\n\n!-------------------------------------------------------------------------------\n! Name: Build File Description\n! Purpose: Builds file description used as metadata in output files.\n! Revised: 31 Jul 2007 Original version. (T. Otte)\n! 29 May 2008 Added meteorology model's nudging coefficients and\n! earth radius (assumed in MCIP) to metadata. (T. Otte)\n! 26 Aug 2009 Added urban model option to output metadata. Added\n! spectral nudging to GRID_FDDA options. (T. Otte)\n! 22 Dec 2010 Changed format of print statements from \"es9.3\" to\n! \"es10.3\" to take Intel compiler's recommendations\n! and eliminate warning messages. (T. Otte)\n! 01 Sep 2011 Added shallow convection option (available in WRFv3.3)\n! to output metadata. Replace F77 character declarations\n! with F90 standard. (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n! 07 Dec 2011 Added MET_FDDA_GPH3D for spectral nudging coefficient\n! toward geopotential. (T. Otte)\n! 26 Jan 2018 Added coefficient for spectral nudging of moisture to\n! metadata. (T. Spero)\n! 14 Sep 2018 Removed support for MM5v3 input. (T. Spero)\n! 12 Nov 2019 Expanded options to allow for surface analysis\n! nudging option 2 (FASDAS), which has been available\n! since WRFv3.8. (T. Spero)\n!-------------------------------------------------------------------------------\n\n USE mcipparm\n USE metinfo\n\n IMPLICIT NONE\n\n CHARACTER(LEN=16) :: coeff_g\n CHARACTER(LEN=16) :: coeff_q\n CHARACTER(LEN=16) :: coeff_t\n CHARACTER(LEN=16) :: coeff_v\n CHARACTER(LEN=16) :: text\n CHARACTER(LEN=30) :: txt_cupa\n CHARACTER(LEN=30) :: txt_lsm\n CHARACTER(LEN=30) :: txt_lu = ' '\n CHARACTER(LEN=30) :: txt_lwrad\n CHARACTER(LEN=30) :: txt_microphys\n CHARACTER(LEN=30) :: txt_pbl\n CHARACTER(LEN=30) :: txt_sflay\n CHARACTER(LEN=30) :: txt_shcu\n CHARACTER(LEN=30) :: txt_swrad\n CHARACTER(LEN=30) :: txt_urban\n\n!-------------------------------------------------------------------------------\n! Write primary header for output.\n!-------------------------------------------------------------------------------\n\n fdesc(:)(1:) = ' ' ! initialize\n\n fdesc( 1) = 'US EPA COMMUNITY MULTISCALE AIR QUALITY MODEL'\n fdesc( 2) = 'METEOROLOGY-CHEMISTRY INTERFACE PROCESSOR'\n\n fdesc( 4) = TRIM(progname) // ' ' // TRIM(ver) // ' FROZEN ' // vdate\n\n IF ( ( met_model == 2 ) .AND. ( met_iversion == 2 ) ) THEN\n text = 'WRF ARW'\n ELSE\n text = 'UNKNOWN SOURCE'\n ENDIF\n\n fdesc( 7) = 'INPUT METEOROLOGY DATA FROM ' // TRIM(text) // ' ' // TRIM(met_release)\n fdesc( 8) = 'INPUT RUN INITIALIZED: ' // TRIM(met_startdate)\n\n IF ( ( met_model == 2 ) .AND. ( met_iversion == 2 ) ) THEN\n CALL wrfemopts (txt_cupa, txt_microphys, txt_lwrad, txt_swrad, &\n txt_pbl, txt_sflay, txt_lsm, txt_urban, txt_shcu, txt_lu)\n ENDIF\n\n fdesc(10) = 'CUMULUS PARAMETERIZATION: ' // TRIM(txt_cupa)\n\n fdesc(12) = 'SHALLOW CONVECTION: ' // TRIM(txt_shcu)\n\n fdesc(14) = 'MICROPHYSICS: ' // TRIM(txt_microphys)\n\n fdesc(16) = 'LONGWAVE RADIATION: ' // TRIM(txt_lwrad)\n\n fdesc(18) = 'SHORTWAVE RADIATION: ' // TRIM(txt_swrad)\n\n fdesc(20) = 'PBL SCHEME: ' // TRIM(txt_pbl)\n\n fdesc(22) = 'SURFACE LAYER SCHEME: ' // TRIM(txt_sflay)\n\n fdesc(24) = 'LAND-SURFACE SCHEME: ' // TRIM(txt_lsm)\n\n fdesc(26) = 'URBAN MODEL: ' // TRIM(txt_urban)\n\n fdesc(28) = 'LAND USE CLASSIFICATION: ' // TRIM(txt_lu)\n\n IF ( met_fdda_3dan == 1 ) THEN\n text = 'GRID'\n IF ( met_fdda_gv3d >= 0.0 ) THEN\n WRITE ( coeff_v, '(es10.3, a)' ) met_fdda_gv3d, ' s-1'\n ELSE\n coeff_v = 'unknown'\n ENDIF\n IF ( met_fdda_gt3d >= 0.0 ) THEN\n WRITE ( coeff_t, '(es10.3, a)' ) met_fdda_gt3d, ' s-1'\n ELSE\n coeff_t = 'unknown'\n ENDIF\n IF ( met_fdda_gq3d >= 0.0 ) THEN\n WRITE ( coeff_q, '(es10.3, a)' ) met_fdda_gq3d, ' s-1'\n ELSE\n coeff_q = 'unknown'\n ENDIF\n coeff_g = 'not applicable'\n ELSE IF ( met_fdda_3dan == 2 ) THEN\n text = 'SPECTRAL'\n IF ( met_fdda_gv3d >= 0.0 ) THEN\n WRITE ( coeff_v, '(es10.3, a)' ) met_fdda_gv3d, ' s-1'\n ELSE\n coeff_v = 'unknown'\n ENDIF\n IF ( met_fdda_gt3d >= 0.0 ) THEN\n WRITE ( coeff_t, '(es10.3, a)' ) met_fdda_gt3d, ' s-1'\n ELSE\n coeff_t = 'unknown'\n ENDIF\n IF ( met_fdda_gq3d >= 0.0 ) THEN\n WRITE ( coeff_q, '(es10.3, a)' ) met_fdda_gq3d, ' s-1'\n ELSE\n coeff_q = 'not applicable'\n ENDIF\n IF ( met_fdda_gph3d >= 0.0 ) THEN\n WRITE ( coeff_g, '(es10.3, a)' ) met_fdda_gph3d, ' s-1'\n ELSE\n coeff_g = 'unknown'\n ENDIF\n ELSE\n text = 'OFF'\n coeff_v = 'not applicable'\n coeff_t = 'not applicable'\n coeff_q = 'not applicable'\n coeff_g = 'not applicable'\n ENDIF\n\n fdesc(30) = '3D ANALYSIS NUDGING: ' // TRIM(text)\n fdesc(31) = ' WIND COEFF: ' // TRIM(coeff_v)\n fdesc(32) = ' TEMP COEFF: ' // TRIM(coeff_t)\n fdesc(33) = ' MOIS COEFF: ' // TRIM(coeff_q)\n fdesc(34) = ' GEOP COEFF: ' // TRIM(coeff_g)\n\n IF ( met_fdda_sfan == 1 ) THEN\n text = 'STANDARD'\n IF ( met_fdda_gvsfc >= 0.0 ) THEN\n WRITE ( coeff_v, '(es10.3, a)' ) met_fdda_gvsfc, ' s-1'\n ELSE\n coeff_v = 'unknown'\n ENDIF\n IF ( met_fdda_gtsfc >= 0.0 ) THEN\n WRITE ( coeff_t, '(es10.3, a)' ) met_fdda_gtsfc, ' s-1'\n ELSE\n coeff_t = 'unknown'\n ENDIF\n IF ( met_fdda_gqsfc >= 0.0 ) THEN\n WRITE ( coeff_q, '(es10.3, a)' ) met_fdda_gqsfc, ' s-1'\n ELSE\n coeff_q = 'unknown'\n ENDIF\n ELSE IF ( met_fdda_sfan == 2 ) THEN\n text = 'FASDAS'\n IF ( met_fdda_gvsfc >= 0.0 ) THEN\n WRITE ( coeff_v, '(es10.3, a)' ) met_fdda_gvsfc, ' s-1'\n ELSE\n coeff_v = 'unknown'\n ENDIF\n IF ( met_fdda_gtsfc >= 0.0 ) THEN\n WRITE ( coeff_t, '(es10.3, a)' ) met_fdda_gtsfc, ' s-1'\n ELSE\n coeff_t = 'unknown'\n ENDIF\n IF ( met_fdda_gqsfc >= 0.0 ) THEN\n WRITE ( coeff_q, '(es10.3, a)' ) met_fdda_gqsfc, ' s-1'\n ELSE\n coeff_q = 'unknown'\n ENDIF\n ELSE\n text = 'OFF'\n coeff_v = 'not applicable'\n coeff_t = 'not applicable'\n coeff_q = 'not applicable'\n ENDIF\n\n fdesc(36) = 'SFC ANALYSIS NUDGING: ' // TRIM(text)\n fdesc(37) = ' WIND COEFF: ' // TRIM(coeff_v)\n fdesc(38) = ' TEMP COEFF: ' // TRIM(coeff_t)\n fdesc(39) = ' MOIS COEFF: ' // TRIM(coeff_q)\n\n IF ( met_fdda_obs == 1 ) THEN\n text = 'ON'\n IF ( met_fdda_giv >= 0.0 ) THEN\n WRITE ( coeff_v, '(es10.3, a)' ) met_fdda_giv, ' s-1'\n ELSE\n coeff_v = 'unknown'\n ENDIF\n IF ( met_fdda_git >= 0.0 ) THEN\n WRITE ( coeff_t, '(es10.3, a)' ) met_fdda_git, ' s-1'\n ELSE\n coeff_t = 'unknown'\n ENDIF\n IF ( met_fdda_giq >= 0.0 ) THEN\n WRITE ( coeff_q, '(es10.3, a)' ) met_fdda_giq, ' s-1'\n ELSE\n coeff_q = 'unknown'\n ENDIF\n ELSE\n text = 'OFF'\n coeff_v = 'not applicable'\n coeff_t = 'not applicable'\n coeff_q = 'not applicable'\n ENDIF\n\n fdesc(41) = 'OBS NUDGING: ' // TRIM(text)\n fdesc(42) = ' WIND COEFF: ' // TRIM(coeff_v)\n fdesc(43) = ' TEMP COEFF: ' // TRIM(coeff_t)\n fdesc(44) = ' MOIS COEFF: ' // TRIM(coeff_q)\n\n WRITE ( text, '(f11.3, a)' ) eradm, ' m'\n fdesc(46) = 'EARTH RADIUS ASSUMED IN MCIP: ' // TRIM(text)\n\nEND SUBROUTINE blddesc\n" }, { "path": "PREP/mcip/src/chkwpshdr.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nSUBROUTINE chkwpshdr (fl, cdfid)\n\n!-------------------------------------------------------------------------------\n! Name: Check WPS Header\n! Purpose: Check WPS header variables from a WPS output file against the\n! \"base\" WRF output file used for this MCIP run to ensure that the\n! WRF output files are from the same domain.\n! Notes: This routine is not thorough, but it should be enough to spot-check\n! key variables that would indicate a different WRF simulation.\n! This routine assumes that FL (input argument) is already opened.\n! Revised: 23 Sep 2009 Original version. (T. Otte)\n! 12 Feb 2010 Removed unused variables CDFID, DATE_INIT, DX, DY, \n! N_TIMES, and VARID, and removed unused format\n! statements 9600 and 9700. Changed RTOL to 1.0e-4.\n! Corrected PNAME to \"CHKWPSHDR\". (T. Otte)\n! 17 Mar 2010 Added input argument CDFID. Removed dependency on\n! module WRF_NETCDF. (T. Otte)\n! 29 Aug 2011 Changed name of module FILE to FILES to avoid conflict\n! with F90 protected intrinsic. Updated netCDF commands\n! to F90, and improved error handling. (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n!-------------------------------------------------------------------------------\n\n USE files\n USE mcipparm\n USE metinfo\n USE netcdf\n\n IMPLICIT NONE\n\n INTEGER, INTENT(IN) :: cdfid\n CHARACTER(LEN=80) :: cval\n CHARACTER(LEN=4) :: cval4\n CHARACTER(LEN=256), INTENT(IN) :: fl\n CHARACTER(LEN=256) :: fl1\n INTEGER :: ival\n CHARACTER(LEN=16), PARAMETER :: pname = 'CHKWPSHDR'\n INTEGER :: rcode\n REAL, PARAMETER :: rtol = 1.0e-4\n REAL :: rval\n\n!-------------------------------------------------------------------------------\n! Error, warning, and informational messages.\n!-------------------------------------------------------------------------------\n\n CHARACTER(LEN=256), PARAMETER :: f9000 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** WRF FILES DO NOT SEEM TO BE FROM SAME DOMAIN', &\n & /, 1x, '*** VARIABLE = ', a)\"\n\n CHARACTER(LEN=256), PARAMETER :: f9100 = \"( &\n & /, 1x, '*** FIRST FILE = ', a, &\n & /, 1x, '*** VALUE IN FIRST FILE = ', i4, &\n & /, 1x, '*** NEW FILE = ', a, &\n & /, 1x, '*** VALUE IN NEW FILE = ', i4, &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9200 = \"( &\n & /, 1x, '*** FIRST FILE = ', a, &\n & /, 1x, '*** VALUE IN FIRST FILE = ', f13.3, &\n & /, 1x, '*** NEW FILE = ', a, &\n & /, 1x, '*** VALUE IN NEW FILE = ', f13.3, &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9300 = \"( &\n & /, 1x, '*** FIRST FILE = ', a, &\n & /, 1x, '*** VALUE IN FIRST FILE = ', a, &\n & /, 1x, '*** NEW FILE = ', a, &\n & /, 1x, '*** VALUE IN NEW FILE = ', a, &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9400 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** ERROR RETRIEVING VARIABLE FROM WPS FILE', &\n & /, 1x, '*** VARIABLE = ', a, &\n & /, 1x, '*** NCF: ', a, &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9800 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** ERROR EXTRACTING WPS VERSION FROM HEADER', &\n & /, 1x, '*** NCF: ', a, &\n & /, 1x, 70('*'))\"\n\n!-------------------------------------------------------------------------------\n! Check NX, NY, and NZ.\n!-------------------------------------------------------------------------------\n\n fl1 = file_mm(1)\n\n rcode = nf90_get_att (cdfid, nf90_global, 'WEST-EAST_GRID_DIMENSION', ival)\n IF ( rcode == nf90_noerr ) THEN\n IF ( ival /= met_nx ) THEN\n WRITE (*,f9000) TRIM(pname), 'WEST-EAST_GRID_DIMENSION'\n WRITE (*,f9100) TRIM(fl1), met_nx, TRIM(fl), ival\n CALL graceful_stop (pname)\n ENDIF\n ELSE\n WRITE (*,f9400) TRIM(pname), 'WEST-EAST_GRID_DIMENSION', &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'SOUTH-NORTH_GRID_DIMENSION', ival)\n IF ( rcode == nf90_noerr ) THEN\n IF ( ival /= met_ny ) THEN\n WRITE (*,f9000) TRIM(pname), 'SOUTH-NORTH_GRID_DIMENSION'\n WRITE (*,f9100) TRIM(fl1), met_ny, TRIM(fl), ival\n CALL graceful_stop (pname)\n ENDIF\n ELSE\n WRITE (*,f9400) TRIM(pname), 'SOUTH-NORTH_GRID_DIMENSION', &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Check domain attributes.\n!-------------------------------------------------------------------------------\n\n rcode = nf90_get_att (cdfid, nf90_global, 'DX', rval)\n IF ( rcode == nf90_noerr ) THEN\n IF ( ABS( rval - met_resoln ) > rtol ) THEN\n WRITE (*,f9000) TRIM(pname), 'DX'\n WRITE (*,f9200) TRIM(fl1), met_resoln, TRIM(fl), rval\n CALL graceful_stop (pname)\n ENDIF\n ELSE\n WRITE (*,f9400) TRIM(pname), 'DX', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'DY', rval)\n IF ( rcode == nf90_noerr ) THEN\n IF ( ABS( rval - met_resoln ) > rtol ) THEN\n WRITE (*,f9000) TRIM(pname), 'DY'\n WRITE (*,f9200) TRIM(fl1), met_resoln, TRIM(fl), rval\n CALL graceful_stop (pname)\n ENDIF\n ELSE\n WRITE (*,f9400) TRIM(pname), 'DY', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'MAP_PROJ', ival)\n IF ( rcode == nf90_noerr ) THEN\n IF ( ival /= met_mapproj ) THEN\n WRITE (*,f9000) TRIM(pname), 'MAP_PROJ'\n WRITE (*,f9100) TRIM(fl1), met_mapproj, TRIM(fl), ival\n CALL graceful_stop (pname)\n ENDIF\n ELSE\n WRITE (*,f9400) TRIM(pname), 'MAP_PROJ', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'STAND_LON', rval)\n IF ( rcode == nf90_noerr ) THEN\n IF ( ABS( rval - met_proj_clon ) > rtol ) THEN\n WRITE (*,f9000) TRIM(pname), 'STAND_LON'\n WRITE (*,f9200) TRIM(fl1), met_proj_clon, TRIM(fl), rval\n CALL graceful_stop (pname)\n ENDIF\n ELSE\n WRITE (*,f9400) TRIM(pname), 'STAND_LON', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'MOAD_CEN_LAT', rval)\n IF ( rcode == nf90_noerr ) THEN\n IF ( ABS( rval - met_proj_clat ) > rtol ) THEN\n WRITE (*,f9000) TRIM(pname), 'MOAD_CEN_LAT'\n WRITE (*,f9200) TRIM(fl1), met_proj_clat, TRIM(fl), rval\n CALL graceful_stop (pname)\n ENDIF\n ELSE\n WRITE (*,f9400) TRIM(pname), 'MOAD_CEN_LAT', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'CEN_LON', rval)\n IF ( rcode == nf90_noerr ) THEN\n IF ( ABS( rval - met_x_centd ) > rtol ) THEN\n WRITE (*,f9000) TRIM(pname), 'CEN_LON'\n WRITE (*,f9200) TRIM(fl1), met_x_centd, TRIM(fl), rval\n CALL graceful_stop (pname)\n ENDIF\n ELSE\n WRITE (*,f9400) TRIM(pname), 'CEN_LON', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'CEN_LAT', rval)\n IF ( rcode == nf90_noerr ) THEN\n IF ( ABS( rval - met_y_centd ) > rtol ) THEN\n WRITE (*,f9000) TRIM(pname), 'CEN_LAT'\n WRITE (*,f9200) TRIM(fl1), met_y_centd, TRIM(fl), rval\n CALL graceful_stop (pname)\n ENDIF\n ELSE\n WRITE (*,f9400) TRIM(pname), 'CEN_LAT', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'TRUELAT1', rval)\n IF ( rcode == nf90_noerr ) THEN\n IF ( ABS( rval - met_tru1 ) > rtol ) THEN\n WRITE (*,f9000) TRIM(pname), 'TRUELAT1'\n WRITE (*,f9200) TRIM(fl1), met_tru1, TRIM(fl), rval\n CALL graceful_stop (pname)\n ENDIF\n ELSE\n WRITE (*,f9400) TRIM(pname), 'TRUELAT1', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'TRUELAT2', rval)\n IF ( rcode == nf90_noerr ) THEN\n IF ( ABS( rval - met_tru2 ) > rtol ) THEN\n WRITE (*,f9000) TRIM(pname), 'TRUELAT2'\n WRITE (*,f9200) TRIM(fl1), met_tru2, TRIM(fl), rval\n CALL graceful_stop (pname)\n ENDIF\n ELSE\n WRITE (*,f9400) TRIM(pname), 'TRUELAT2', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'MMINLU', cval)\n IF ( rcode == nf90_noerr ) THEN\n IF ( cval(1:3) /= met_lu_src(1:3) ) THEN\n WRITE (*,f9000) TRIM(pname), 'MMINLU'\n WRITE (*,f9300) TRIM(fl1), TRIM(met_lu_src), TRIM(fl), TRIM(cval)\n CALL graceful_stop (pname)\n ENDIF\n ELSE\n WRITE (*,f9400) TRIM(pname), 'MMINLU', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'TITLE', cval)\n IF ( rcode == nf90_noerr ) THEN\n cval4 = ' '\n IF ( cval(21:21) == \"V\" ) THEN\n cval4(1:2) = cval(21:22)\n ELSE\n WRITE (*,f9800) TRIM(pname), TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n IF ( cval(23:23) == \".\" ) THEN\n cval4(3:4) = cval(23:24)\n ENDIF\n IF ( cval4 >= \"V3.1\" ) THEN\n rcode = nf90_get_att (cdfid, nf90_global, 'NUM_LAND_CAT', ival)\n IF ( rcode == nf90_noerr ) THEN\n IF ( ival /= nummetlu ) THEN\n WRITE (*,f9000) TRIM(pname), 'NUM_LAND_CAT'\n WRITE (*,f9100) TRIM(fl1), nummetlu, TRIM(fl), ival\n CALL graceful_stop (pname)\n ENDIF\n ELSE\n WRITE (*,f9400) TRIM(pname), 'NUM_LAND_CAT', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDIF\n ELSE\n WRITE (*,f9400) TRIM(pname), 'TITLE', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\nEND SUBROUTINE chkwpshdr\n" }, { "path": "PREP/mcip/src/chkwrfhdr.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nSUBROUTINE chkwrfhdr (fl, cdfid)\n\n!-------------------------------------------------------------------------------\n! Name: Check WRF Header\n! Purpose: Check WRF header variables from one WRF output file against the\n! \"base\" WRF output file used for this MCIP run to ensure that the\n! WRF output files are from the same simulation.\n! Notes: This routine is not thorough, but it should be enough to spot-check\n! key variables that would indicate a different WRF simulation.\n! This routine assumes that FL (input argument) is already opened.\n! Revised: 15 May 2008 Original version. (T. Otte)\n! 11 May 2009 Correct bug in checking surface layer scheme in\n! subsequent files. (T. Otte)\n! 25 Sep 2009 Removed netCDF file opening to prevent condition with\n! too many open files for long simulations. Added\n! check on urban physics option and surface analysis\n! nudging options. Changed code to allow for GRID_FDDA\n! to be greater than 1. Corrected bug in checking to\n! ensure that data are from same simulation (i.e.,\n! restarted rather than reinitialized). Corrected bug\n! in checking observation nudging coefficient for\n! temperature. (T. Otte)\n! 12 Feb 2010 Removed unused variables CDFID, DX, DY, N_TIMES, and\n! VARID, and removed unused format statements 9600 and\n! 9700. Changed RTOL to 1.0e-4. (T. Otte)\n! 18 Mar 2010 Added CDFID as an input argument. Removed dependency\n! on module WRF_NETCDF. (T. Otte)\n! 23 Aug 2011 Changed name of module FILE to FILES to avoid conflict\n! with F90 protected intrinsic. Updated netCDF commands\n! to F90, and improved error handling. (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n!-------------------------------------------------------------------------------\n\n USE files\n USE metinfo\n USE netcdf\n\n IMPLICIT NONE\n\n INTEGER, INTENT(IN) :: cdfid\n CHARACTER(LEN=80) :: cval\n CHARACTER(LEN=8) :: cval8\n CHARACTER(LEN=19) :: date_init\n INTEGER :: dimid\n CHARACTER(LEN=256), INTENT(IN) :: fl\n CHARACTER(LEN=256) :: fl1\n INTEGER :: ival\n CHARACTER(LEN=16), PARAMETER :: pname = 'CHKWRFHDR'\n INTEGER :: rcode\n REAL, PARAMETER :: rtol = 1.0e-4\n REAL :: rval\n\n!-------------------------------------------------------------------------------\n! Error-handling section.\n!-------------------------------------------------------------------------------\n\n CHARACTER(LEN=256), PARAMETER :: f9000 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** WRF FILES DO NOT SEEM TO BE FROM SAME DOMAIN', &\n & /, 1x, '*** VARIABLE = ', a)\"\n\n CHARACTER(LEN=256), PARAMETER :: f9100 = \"( &\n & /, 1x, '*** FIRST FILE = ', a, &\n & /, 1x, '*** VALUE IN FIRST FILE = ', i4, &\n & /, 1x, '*** NEW FILE = ', a, &\n & /, 1x, '*** VALUE IN NEW FILE = ', i4, &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9200 = \"( &\n & /, 1x, '*** FIRST FILE = ', a, &\n & /, 1x, '*** VALUE IN FIRST FILE = ', f13.3, &\n & /, 1x, '*** NEW FILE = ', a, &\n & /, 1x, '*** VALUE IN NEW FILE = ', f13.3, &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9300 = \"( &\n & /, 1x, '*** FIRST FILE = ', a, &\n & /, 1x, '*** VALUE IN FIRST FILE = ', a, &\n & /, 1x, '*** NEW FILE = ', a, &\n & /, 1x, '*** VALUE IN NEW FILE = ', a, &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9400 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** ERROR RETRIEVING VARIABLE FROM WRF FILE', &\n & /, 1x, '*** VARIABLE = ', a, &\n & /, 1x, '*** NCF: ', a, &\n & /, 1x, 70('*'))\"\n\n!-------------------------------------------------------------------------------\n! Check NX, NY, and NZ.\n!-------------------------------------------------------------------------------\n\n fl1 = file_mm(1)\n\n rcode = nf90_get_att (cdfid, nf90_global, 'WEST-EAST_GRID_DIMENSION', ival)\n IF ( rcode == nf90_noerr ) THEN\n IF ( ival /= met_nx ) THEN\n WRITE (*,f9000) TRIM(pname), 'WEST-EAST_GRID_DIMENSION'\n WRITE (*,f9100) TRIM(fl1), met_nx, TRIM(fl), ival\n CALL graceful_stop (pname)\n ENDIF\n ELSE\n WRITE (*,f9400) TRIM(pname), 'WEST-EAST_GRID_DIMENSION', &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'SOUTH-NORTH_GRID_DIMENSION', ival)\n IF ( rcode == nf90_noerr ) THEN\n IF ( ival /= met_ny ) THEN\n WRITE (*,f9000) TRIM(pname), 'SOUTH-NORTH_GRID_DIMENSION'\n WRITE (*,f9100) TRIM(fl1), met_ny, TRIM(fl), ival\n CALL graceful_stop (pname)\n ENDIF\n ELSE\n WRITE (*,f9400) TRIM(pname), 'SOUTH-NORTH_GRID_DIMENSION', &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'BOTTOM-TOP_GRID_DIMENSION', ival)\n IF ( rcode == nf90_noerr ) THEN\n IF ( ival-1 /= met_nz ) THEN\n WRITE (*,f9000) TRIM(pname), 'BOTTOM-TOP_GRID_DIMENSION'\n WRITE (*,f9100) TRIM(fl1), met_nz, TRIM(fl), ival-1\n CALL graceful_stop (pname)\n ENDIF\n ELSE\n WRITE (*,f9400) TRIM(pname), 'BOTTOM-TOP_GRID_DIMENSION', &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Check domain attributes.\n!-------------------------------------------------------------------------------\n\n rcode = nf90_get_att (cdfid, nf90_global, 'TITLE', cval)\n IF ( rcode == nf90_noerr ) THEN\n cval8 = ' '\n IF ( cval(18:18) == \"V\" ) THEN\n cval8(1:2) = cval(18:19)\n ENDIF\n IF ( cval(20:20) == '.' ) THEN\n cval8(3:4) = cval(20:21)\n ENDIF\n IF ( cval(22:22) == '.' ) THEN\n cval8(5:6) = cval(22:23)\n ENDIF\n IF ( cval(24:24) == '.' ) THEN\n cval8(7:8) = cval(24:25)\n ENDIF\n IF ( cval8 /= met_release ) THEN\n WRITE (*,f9000) TRIM(pname), 'WRF VERSION'\n WRITE (*,f9300) TRIM(fl1), met_release, TRIM(fl), cval8\n CALL graceful_stop (pname)\n ENDIF\n ELSE\n WRITE (*,f9400) TRIM(pname), 'TITLE', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'DX', rval)\n IF ( rcode == nf90_noerr ) THEN\n IF ( ABS( rval - met_resoln ) > rtol ) THEN\n WRITE (*,f9000) TRIM(pname), 'DX'\n WRITE (*,f9200) TRIM(fl1), met_resoln, TRIM(fl), rval\n CALL graceful_stop (pname)\n ENDIF\n ELSE\n WRITE (*,f9400) TRIM(pname), 'DX', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'DY', rval)\n IF ( rcode == nf90_noerr ) THEN\n IF ( ABS( rval - met_resoln ) > rtol ) THEN\n WRITE (*,f9000) TRIM(pname), 'DY'\n WRITE (*,f9200) TRIM(fl1), met_resoln, TRIM(fl), rval\n CALL graceful_stop (pname)\n ENDIF\n ELSE\n WRITE (*,f9400) TRIM(pname), 'DY', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'MAP_PROJ', ival)\n IF ( rcode == nf90_noerr ) THEN\n IF ( ival /= met_mapproj ) THEN\n WRITE (*,f9000) TRIM(pname), 'MAP_PROJ'\n WRITE (*,f9100) TRIM(fl1), met_mapproj, TRIM(fl), ival\n CALL graceful_stop (pname)\n ENDIF\n ELSE\n WRITE (*,f9400) TRIM(pname), 'MAP_PROJ', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'STAND_LON', rval)\n IF ( rcode == nf90_noerr ) THEN\n IF ( ABS( rval - met_proj_clon ) > rtol ) THEN\n WRITE (*,f9000) TRIM(pname), 'STAND_LON'\n WRITE (*,f9200) TRIM(fl1), met_proj_clon, TRIM(fl), rval\n CALL graceful_stop (pname)\n ENDIF\n ELSE\n WRITE (*,f9400) TRIM(pname), 'STAND_LON', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'MOAD_CEN_LAT', rval)\n IF ( rcode == nf90_noerr ) THEN\n IF ( ABS( rval - met_proj_clat ) > rtol ) THEN\n WRITE (*,f9000) TRIM(pname), 'MOAD_CEN_LAT'\n WRITE (*,f9200) TRIM(fl1), met_proj_clat, TRIM(fl), rval\n CALL graceful_stop (pname)\n ENDIF\n ELSE\n WRITE (*,f9400) TRIM(pname), 'MOAD_CEN_LAT', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'CEN_LON', rval)\n IF ( rcode == nf90_noerr ) THEN\n IF ( ABS( rval - met_x_centd ) > rtol ) THEN\n WRITE (*,f9000) TRIM(pname), 'CEN_LON'\n WRITE (*,f9200) TRIM(fl1), met_x_centd, TRIM(fl), rval\n CALL graceful_stop (pname)\n ENDIF\n ELSE\n WRITE (*,f9400) TRIM(pname), 'CEN_LON', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'CEN_LAT', rval)\n IF ( rcode == nf90_noerr ) THEN\n IF ( ABS( rval - met_y_centd ) > rtol ) THEN\n WRITE (*,f9000) TRIM(pname), 'CEN_LAT'\n WRITE (*,f9200) TRIM(fl1), met_y_centd, TRIM(fl), rval\n CALL graceful_stop (pname)\n ENDIF\n ELSE\n WRITE (*,f9400) TRIM(pname), 'CEN_LAT', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'TRUELAT1', rval)\n IF ( rcode == nf90_noerr ) THEN\n IF ( ABS( rval - met_tru1 ) > rtol ) THEN\n WRITE (*,f9000) TRIM(pname), 'TRUELAT1'\n WRITE (*,f9200) TRIM(fl1), met_tru1, TRIM(fl), rval\n CALL graceful_stop (pname)\n ENDIF\n ELSE\n WRITE (*,f9400) TRIM(pname), 'TRUELAT1', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'TRUELAT2', rval)\n IF ( rcode == nf90_noerr ) THEN\n IF ( ABS( rval - met_tru2 ) > rtol ) THEN\n WRITE (*,f9000) TRIM(pname), 'TRUELAT2'\n WRITE (*,f9200) TRIM(fl1), met_tru2, TRIM(fl), rval\n CALL graceful_stop (pname)\n ENDIF\n ELSE\n WRITE (*,f9400) TRIM(pname), 'TRUELAT2', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Extract model run options.\n!-------------------------------------------------------------------------------\n\n rcode = nf90_get_att (cdfid, nf90_global, 'MMINLU', cval)\n IF ( rcode == nf90_noerr ) THEN\n IF ( cval(1:4) /= met_lu_src(1:4) ) THEN\n WRITE (*,f9000) TRIM(pname), 'MMINLU'\n WRITE (*,f9300) TRIM(fl1), met_lu_src(1:4), TRIM(fl), cval(1:4)\n CALL graceful_stop (pname)\n ENDIF\n ELSE\n WRITE (*,f9400) TRIM(pname), 'MMINLU', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'ISWATER', ival)\n IF ( rcode == nf90_noerr ) THEN\n IF ( ival /= met_lu_water ) THEN\n WRITE (*,f9000) TRIM(pname), 'ISWATER'\n WRITE (*,f9100) TRIM(fl1), met_lu_water, TRIM(fl), ival\n CALL graceful_stop (pname)\n ENDIF\n ELSE\n WRITE (*,f9400) TRIM(pname), 'ISWATER', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n rcode = nf90_inq_dimid (cdfid, 'soil_layers_stag', dimid)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9400) TRIM(pname), 'ID for soil_layers_stag', &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n rcode = nf90_inquire_dimension (cdfid, dimid, len=ival)\n IF ( rcode == nf90_noerr ) THEN\n IF ( ival /= met_ns ) THEN\n WRITE (*,f9000) TRIM(pname), 'soil_layers_stag'\n WRITE (*,f9100) TRIM(fl1), met_ns, TRIM(fl), ival\n CALL graceful_stop (pname)\n ENDIF\n ELSE\n WRITE (*,f9400) TRIM(pname), 'value for soil_layers_stag', &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'RA_LW_PHYSICS', ival)\n IF ( rcode == nf90_noerr ) THEN\n IF ( ival /= met_lw_rad ) THEN\n WRITE (*,f9000) TRIM(pname), 'RA_LW_PHYSICS'\n WRITE (*,f9100) TRIM(fl1), met_lw_rad, TRIM(fl), ival\n CALL graceful_stop (pname)\n ENDIF\n ELSE\n WRITE (*,f9400) TRIM(pname), 'RA_LW_PHYSICS', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'RA_SW_PHYSICS', ival)\n IF ( rcode == nf90_noerr ) THEN\n IF ( ival /= met_sw_rad ) THEN\n WRITE (*,f9000) TRIM(pname), 'RA_SW_PHYSICS'\n WRITE (*,f9100) TRIM(fl1), met_sw_rad, TRIM(fl), ival\n CALL graceful_stop (pname)\n ENDIF\n ELSE\n WRITE (*,f9400) TRIM(pname), 'RA_SW_PHYSICS', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'CU_PHYSICS', ival)\n IF ( rcode == nf90_noerr ) THEN\n IF ( ival /= met_cumulus ) THEN\n WRITE (*,f9000) TRIM(pname), 'CU_PHYSICS'\n WRITE (*,f9100) TRIM(fl1), met_cumulus, TRIM(fl), ival\n CALL graceful_stop (pname)\n ENDIF\n ELSE\n WRITE (*,f9400) TRIM(pname), 'CU_PHYSICS', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'MP_PHYSICS', ival)\n IF ( rcode == nf90_noerr ) THEN\n IF ( ival /= met_expl_moist ) THEN\n WRITE (*,f9000) TRIM(pname), 'MP_PHYSICS'\n WRITE (*,f9100) TRIM(fl1), met_expl_moist, TRIM(fl), ival\n CALL graceful_stop (pname)\n ENDIF\n ELSE\n WRITE (*,f9400) TRIM(pname), 'MP_PHYSICS', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'BL_PBL_PHYSICS', ival)\n IF ( rcode == nf90_noerr ) THEN\n IF ( ival /= met_pbl ) THEN\n WRITE (*,f9000) TRIM(pname), 'BL_PBL_PHYSICS'\n WRITE (*,f9100) TRIM(fl1), met_pbl, TRIM(fl), ival\n CALL graceful_stop (pname)\n ENDIF\n ELSE\n WRITE (*,f9400) TRIM(pname), 'BL_PBL_PHYSICS', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'SF_SFCLAY_PHYSICS', ival)\n IF ( rcode == nf90_noerr ) THEN\n IF ( ival /= met_sfc_lay ) THEN\n WRITE (*,f9000) TRIM(pname), 'SF_SFCLAY_PHYSICS'\n WRITE (*,f9100) TRIM(fl1), met_sfc_lay, TRIM(fl), ival\n CALL graceful_stop (pname)\n ENDIF\n ELSE\n WRITE (*,f9400) TRIM(pname), 'SF_SFCLAY_PHYSICS', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'SF_SURFACE_PHYSICS', ival)\n IF ( rcode == nf90_noerr ) THEN\n IF ( ival /= met_soil_lsm ) THEN\n WRITE (*,f9000) TRIM(pname), 'SF_SURFACE_PHYSICS'\n WRITE (*,f9100) TRIM(fl1), met_soil_lsm, TRIM(fl), ival\n CALL graceful_stop (pname)\n ENDIF\n ELSE\n WRITE (*,f9400) TRIM(pname), 'SF_SURFACE_PHYSICS', &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n IF ( TRIM(met_release) >= 'V3.1' ) THEN\n rcode = nf90_get_att (cdfid, nf90_global, 'SF_URBAN_PHYSICS', ival)\n IF ( rcode == nf90_noerr ) THEN\n IF ( ival /= met_urban_phys ) THEN\n WRITE (*,f9000) TRIM(pname), 'SF_URBAN_PHYSICS'\n WRITE (*,f9100) TRIM(fl1), met_urban_phys, TRIM(fl), ival\n CALL graceful_stop (pname)\n ENDIF\n ELSE\n WRITE (*,f9400) TRIM(pname), 'SF_URBAN_PHYSICS', &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Extract WRF start date and time information.\n!-------------------------------------------------------------------------------\n\n rcode = nf90_get_att (cdfid, nf90_global, 'SIMULATION_START_DATE', date_init)\n IF ( rcode == nf90_noerr ) THEN\n date_init(11:11) = \"-\" ! change from \"_\" to \"-\" for consistency\n IF ( date_init /= met_startdate(1:19) ) THEN\n WRITE (*,f9000) TRIM(pname), 'SIMULATION_START_DATE'\n WRITE (*,f9300) TRIM(fl1), met_startdate(1:19), TRIM(fl), date_init\n CALL graceful_stop (pname)\n ENDIF\n ELSE\n WRITE (*,f9400) TRIM(pname), 'SIMULATION_START_DATE', &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Determine FDDA options.\n!-------------------------------------------------------------------------------\n\n rcode = nf90_get_att (cdfid, nf90_global, 'GRID_FDDA', ival)\n IF ( rcode == nf90_noerr ) THEN\n IF ( ival /= met_fdda_3dan ) THEN\n WRITE (*,f9000) TRIM(pname), 'GRID_FDDA'\n WRITE (*,f9100) TRIM(fl1), met_fdda_3dan, TRIM(fl), ival\n CALL graceful_stop (pname)\n ENDIF\n ELSE\n IF ( TRIM(met_release) >= 'V2.2' ) THEN\n WRITE (*,f9400) TRIM(pname), 'GRID_FDDA', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'GUV', rval)\n IF ( rcode == nf90_noerr ) THEN\n IF ( ABS( rval - met_fdda_gv3d ) > rtol ) THEN\n WRITE (*,f9000) TRIM(pname), 'GUV'\n WRITE (*,f9200) TRIM(fl1), met_fdda_gv3d, TRIM(fl), rval\n CALL graceful_stop (pname)\n ENDIF\n ELSE\n IF ( ( TRIM(met_release) >= 'V2.2' ) .AND. ( met_fdda_3dan == 1 ) ) THEN\n WRITE (*,f9400) TRIM(pname), 'GUV', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ELSE IF ( ( TRIM(met_release) >= 'V3.1' ) .AND. &\n ( met_fdda_3dan == 2 ) ) THEN\n WRITE (*,f9400) TRIM(pname), 'GUV', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'GT', rval)\n IF ( rcode == nf90_noerr ) THEN\n IF ( ABS( rval - met_fdda_gt3d ) > rtol ) THEN\n WRITE (*,f9000) TRIM(pname), 'GT'\n WRITE (*,f9200) TRIM(fl1), met_fdda_gt3d, TRIM(fl), rval\n CALL graceful_stop (pname)\n ENDIF\n ELSE\n IF ( ( TRIM(met_release) >= 'V2.2' ) .AND. ( met_fdda_3dan == 1 ) ) THEN\n WRITE (*,f9400) TRIM(pname), 'GT', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ELSE IF ( ( TRIM(met_release) >= 'V3.1' ) .AND. ( met_fdda_3dan == 2 ) ) THEN\n WRITE (*,f9400) TRIM(pname), 'GT', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'GQ', rval)\n IF ( rcode == nf90_noerr ) THEN\n IF ( ABS( rval - met_fdda_gq3d ) > rtol ) THEN\n WRITE (*,f9000) TRIM(pname), 'GQ'\n WRITE (*,f9200) TRIM(fl1), met_fdda_gq3d, TRIM(fl), rval\n CALL graceful_stop (pname)\n ENDIF\n ELSE\n IF ( ( TRIM(met_release) >= 'V2.2' ) .AND. ( met_fdda_3dan == 1 ) ) THEN\n WRITE (*,f9400) TRIM(pname), 'GQ', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'GRID_SFDDA', ival)\n IF ( rcode == nf90_noerr ) THEN\n IF ( ival /= met_fdda_sfan ) THEN\n WRITE (*,f9000) TRIM(pname), 'GRID_SFDDA'\n WRITE (*,f9100) TRIM(fl1), met_fdda_sfan, TRIM(fl), ival\n CALL graceful_stop (pname)\n ENDIF\n ELSE\n IF ( TRIM(met_release) >= 'V3.1' ) THEN\n WRITE (*,f9400) TRIM(pname), 'GRID_SFDDA', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'GUV_SFC', rval)\n IF ( rcode == nf90_noerr ) THEN\n IF ( ABS( rval - met_fdda_gvsfc ) > rtol ) THEN\n WRITE (*,f9000) TRIM(pname), 'GUV_SFC'\n WRITE (*,f9200) TRIM(fl1), met_fdda_gvsfc, TRIM(fl), rval\n CALL graceful_stop (pname)\n ENDIF\n ELSE\n IF ( ( TRIM(met_release) >= 'V3.1' ) .AND. ( met_fdda_sfan == 1 ) ) THEN\n WRITE (*,f9400) TRIM(pname), 'GUV_SFC', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'GT_SFC', rval)\n IF ( rcode == nf90_noerr ) THEN\n IF ( ABS( rval - met_fdda_gtsfc ) > rtol ) THEN\n WRITE (*,f9000) TRIM(pname), 'GT_SFC'\n WRITE (*,f9200) TRIM(fl1), met_fdda_gtsfc, TRIM(fl), rval\n CALL graceful_stop (pname)\n ENDIF\n ELSE\n IF ( ( TRIM(met_release) >= 'V3.1' ) .AND. ( met_fdda_sfan == 1 ) ) THEN\n WRITE (*,f9400) TRIM(pname), 'GT_SFC', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'GQ_SFC', rval)\n IF ( rcode == nf90_noerr ) THEN\n IF ( ABS( rval - met_fdda_gqsfc ) > rtol ) THEN\n WRITE (*,f9000) TRIM(pname), 'GQ_SFC'\n WRITE (*,f9200) TRIM(fl1), met_fdda_gqsfc, TRIM(fl), rval\n CALL graceful_stop (pname)\n ENDIF\n ELSE\n IF ( ( TRIM(met_release) >= 'V3.1' ) .AND. ( met_fdda_sfan == 1 ) ) THEN\n WRITE (*,f9400) TRIM(pname), 'GQ_SFC', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'OBS_NUDGE_OPT', ival)\n IF ( rcode == nf90_noerr ) THEN\n IF ( ival /= met_fdda_obs ) THEN\n WRITE (*,f9000) TRIM(pname), 'OBS_NUDGE_OPT'\n WRITE (*,f9100) TRIM(fl1), met_fdda_obs, TRIM(fl), ival\n CALL graceful_stop (pname)\n ENDIF\n ELSE\n IF ( TRIM(met_release) >= 'V2.2' ) THEN\n WRITE (*,f9400) TRIM(pname), 'OBS_NUDGE_OPT', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'OBS_COEF_WIND', rval)\n IF ( rcode == nf90_noerr ) THEN\n IF ( ABS( rval - met_fdda_giv ) > rtol ) THEN\n WRITE (*,f9000) TRIM(pname), 'OBS_COEF_WIND'\n WRITE (*,f9200) TRIM(fl1), met_fdda_giv, TRIM(fl), rval\n CALL graceful_stop (pname)\n ENDIF\n ELSE\n IF ( ( TRIM(met_release) >= 'V2.2' ) .AND. ( met_fdda_obs == 1 ) ) THEN\n WRITE (*,f9400) TRIM(pname), 'OBS_COEF_WIND', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'OBS_COEF_TEMP', rval)\n IF ( rcode == nf90_noerr ) THEN\n IF ( ABS( rval - met_fdda_git ) > rtol ) THEN\n WRITE (*,f9000) TRIM(pname), 'OBS_COEF_TEMP'\n WRITE (*,f9200) TRIM(fl1), met_fdda_git, TRIM(fl), rval\n CALL graceful_stop (pname)\n ENDIF\n ELSE\n IF ( ( TRIM(met_release) >= 'V2.2' ) .AND. ( met_fdda_obs == 1 ) ) THEN\n WRITE (*,f9400) TRIM(pname), 'OBS_COEF_TEMP', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'OBS_COEF_MOIS', rval)\n IF ( rcode == nf90_noerr ) THEN\n IF ( ABS( rval - met_fdda_giq ) > rtol ) THEN\n WRITE (*,f9000) TRIM(pname), 'OBS_COEF_MOIS'\n WRITE (*,f9200) TRIM(fl1), met_fdda_giq, TRIM(fl), rval\n CALL graceful_stop (pname)\n ENDIF\n ELSE\n IF ( ( TRIM(met_release) >= 'V2.2' ) .AND. ( met_fdda_obs == 1 ) ) THEN\n WRITE (*,f9400) TRIM(pname), 'OBS_COEF_MOIS', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDIF\n\nEND SUBROUTINE chkwrfhdr\n" }, { "path": "PREP/mcip/src/close_files.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nSUBROUTINE close_files\n\n!-------------------------------------------------------------------------------\n! Name: Close Files\n! Purpose: Close I/O API files.\n! Revised: 10 Sep 2001 Original version. (T. Otte)\n! 09 Jan 2002 Changed \"stop\" statements to calls to \"m3exit\" for\n! graceful shut-down of I/O API files. (T. Otte)\n! 29 Aug 2011 Replaced module IODECL3 with I/O API module M3UTILIO.\n! Replaced F77 character declarations with F90 standard.\n! Improved error handling. (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n! 19 Dec 2018 Added runtime option to choose output format.\n! (T. Spero)\n!-------------------------------------------------------------------------------\n\n USE files\n USE m3utilio\n USE mcipparm, ONLY: ioform\n USE netcdf\n\n IMPLICIT NONE\n\n CHARACTER(LEN=16), PARAMETER :: pname = 'CLOSE_FILES'\n INTEGER :: rcode\n\n!-------------------------------------------------------------------------------\n! Error, warning, and informational messages.\n!-------------------------------------------------------------------------------\n\n CHARACTER(LEN=256), PARAMETER :: f9000 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** COULD NOT CLOSE I/O API OUTPUT FILES', &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9100 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** ERROR CLOSING NETCDF FILE', &\n & /, 1x, '*** FILE = ', a, &\n & /, 1x, '*** ', a, &\n & /, 1x, 70('*'))\"\n\n!-------------------------------------------------------------------------------\n! Gracefully close output files.\n!-------------------------------------------------------------------------------\n\n SELECT CASE ( ioform )\n\n CASE ( 1 ) ! Models-3 I/O API\n\n IF ( .NOT. shut3() ) THEN\n WRITE (*,f9000) TRIM(pname)\n CALL graceful_stop (pname)\n ENDIF\n\n CASE ( 2 ) ! netCDF\n\n rcode = nf90_close (cdfid_m)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9100) TRIM(pname), TRIM(mcipncf), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n rcode = nf90_close (cdfid_b)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9100) TRIM(pname), TRIM(mcipbdyncf), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n END SELECT\n\nEND SUBROUTINE close_files\n" }, { "path": "PREP/mcip/src/comheader.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nSUBROUTINE comheader (sdate, stime)\n\n!-------------------------------------------------------------------------------\n! Name: Common Header\n! Purpose: Builds a common header part for I/O API output.\n! Revised: 27 Jan 1997 Created for MCIP and generalized CTM. (D. Byun)\n! 04 Feb 1998 LSM include nonglobal changed. (D. Byun)\n! 10 Sep 2001 Converted to free-form f90. (T. Otte)\n! 30 Jul 2007 Fill FDESC3D to create metadata. (T. Otte)\n! 11 Aug 2011 Replaced module FDESC3 with I/O API module M3UTILIO.\n! (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n! 10 Feb 2018 Reinitialize VGLVS3D on each call to accommodate\n! additional 3D I/O API output files where the third\n! dimension is not atmospheric layers. (T. Spero)\n!-------------------------------------------------------------------------------\n\n USE coord\n USE m3utilio\n USE mcipparm\n\n IMPLICIT NONE\n\n INTEGER, INTENT(IN) :: sdate ! YYYYDDD\n INTEGER, INTENT(IN) :: stime ! HHMMSS\n\n!-------------------------------------------------------------------------------\n! Fill common headers from MODULE COORD.\n!-------------------------------------------------------------------------------\n\n sdate3d = sdate\n stime3d = stime\n\n gdnam3d = gdname_gd\n gdtyp3d = gdtyp_gd\n p_alp3d = p_alp_gd\n p_bet3d = p_bet_gd\n p_gam3d = p_gam_gd\n\n xcent3d = xcent_gd\n ycent3d = ycent_gd\n xorig3d = xorig_gd\n yorig3d = yorig_gd\n xcell3d = xcell_gd\n ycell3d = ycell_gd\n\n vgtyp3d = vgtyp_gd\n vgtop3d = vgtop_gd\n\n ! Layer defined in standard met. coordinate.\n\n vglvs3d(:) = 0.0 ! initialized to ensure monotonicity\n vglvs3d(1:nlays+1) = vglvs_gd(1:nlays+1)\n \n ! Initialize FDESC3D and UPDESC3D array.\n\n fdesc3d(1:mxdesc3) = ' '\n updsc3d(1:mxdesc3) = ' '\n\n fdesc3d(:) = fdesc(:)\n updsc3d(:) = fdesc(:)\n\nEND SUBROUTINE comheader\n" }, { "path": "PREP/mcip/src/comheader_lufrac.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nSUBROUTINE comheader_lufrac (sdate, stime)\n\n!-------------------------------------------------------------------------------\n! Name: Common Header (Land Use Fraction)\n! Purpose: Builds a common header part for I/O API output.\n! Revised: 13 Feb 2018 Initial version adapted from comheader.f90 in\n! MCIPv4.4. (T. Spero)\n!-------------------------------------------------------------------------------\n\n USE coord\n USE m3utilio\n USE mcipparm\n\n IMPLICIT NONE\n\n INTEGER :: i\n INTEGER, INTENT(IN) :: sdate ! YYYYDDD\n INTEGER, INTENT(IN) :: stime ! HHMMSS\n\n!-------------------------------------------------------------------------------\n! Fill common headers from MODULE COORD.\n!-------------------------------------------------------------------------------\n\n sdate3d = sdate\n stime3d = stime\n\n gdnam3d = gdname_gd\n gdtyp3d = gdtyp_gd\n p_alp3d = p_alp_gd\n p_bet3d = p_bet_gd\n p_gam3d = p_gam_gd\n\n xcent3d = xcent_gd\n ycent3d = ycent_gd\n xorig3d = xorig_gd\n yorig3d = yorig_gd\n xcell3d = xcell_gd\n ycell3d = ycell_gd\n\n vgtyp3d = imiss3\n vgtop3d = 0.0\n\n ! Layer defined in number of categories.\n\n vglvs3d(:) = 999.9 ! initialized to ensure monotonicity\n\n DO i = 1, nummetlu\n vglvs3d(i) = FLOAT(i)\n ENDDO\n \n ! Initialize FDESC3D and UPDESC3D array.\n\n fdesc3d(1:mxdesc3) = ' '\n updsc3d(1:mxdesc3) = ' '\n\n fdesc3d(:) = fdesc(:)\n updsc3d(:) = fdesc(:)\n\nEND SUBROUTINE comheader_lufrac\n" }, { "path": "PREP/mcip/src/comheader_mos.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nSUBROUTINE comheader_mos (sdate, stime)\n\n!-------------------------------------------------------------------------------\n! Name: Common Header (Mosaic)\n! Purpose: Builds a common header part for I/O API output.\n! Revised: 10 Feb 2018 Initial version adapted from comheader.f90 in\n! MCIPv4.4. (T. Spero)\n!-------------------------------------------------------------------------------\n\n USE coord\n USE m3utilio\n USE mcipparm\n\n IMPLICIT NONE\n\n INTEGER :: i\n INTEGER, INTENT(IN) :: sdate ! YYYYDDD\n INTEGER, INTENT(IN) :: stime ! HHMMSS\n\n!-------------------------------------------------------------------------------\n! Fill common headers from MODULE COORD.\n!-------------------------------------------------------------------------------\n\n sdate3d = sdate\n stime3d = stime\n\n gdnam3d = gdname_gd\n gdtyp3d = gdtyp_gd\n p_alp3d = p_alp_gd\n p_bet3d = p_bet_gd\n p_gam3d = p_gam_gd\n\n xcent3d = xcent_gd\n ycent3d = ycent_gd\n xorig3d = xorig_gd\n yorig3d = yorig_gd\n xcell3d = xcell_gd\n ycell3d = ycell_gd\n\n vgtyp3d = imiss3\n vgtop3d = 0.0\n\n ! Layer defined in number of categories.\n\n vglvs3d(:) = 999.9 ! initialized to ensure monotonicity\n\n DO i = 1, nummosaic\n vglvs3d(i) = FLOAT(i)\n ENDDO\n \n ! Initialize FDESC3D and UPDESC3D array.\n\n fdesc3d(1:mxdesc3) = ' '\n updsc3d(1:mxdesc3) = ' '\n\n fdesc3d(:) = fdesc(:)\n updsc3d(:) = fdesc(:)\n\nEND SUBROUTINE comheader_mos\n" }, { "path": "PREP/mcip/src/comheader_soi.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nSUBROUTINE comheader_soi (sdate, stime)\n\n!-------------------------------------------------------------------------------\n! Name: Common Header (Soil)\n! Purpose: Builds a common header part for I/O API output.\n! Revised: 10 Feb 2018 Initial version adapted from comheader.f90 in\n! MCIPv4.4. (T. Spero)\n!-------------------------------------------------------------------------------\n\n USE coord\n USE m3utilio\n USE mcipparm\n USE xvars, ONLY: xzsoil\n\n IMPLICIT NONE\n\n INTEGER :: i\n INTEGER, INTENT(IN) :: sdate ! YYYYDDD\n INTEGER, INTENT(IN) :: stime ! HHMMSS\n\n!-------------------------------------------------------------------------------\n! Fill common headers from MODULE COORD.\n!-------------------------------------------------------------------------------\n\n sdate3d = sdate\n stime3d = stime\n\n gdnam3d = gdname_gd\n gdtyp3d = gdtyp_gd\n p_alp3d = p_alp_gd\n p_bet3d = p_bet_gd\n p_gam3d = p_gam_gd\n\n xcent3d = xcent_gd\n ycent3d = ycent_gd\n xorig3d = xorig_gd\n yorig3d = yorig_gd\n xcell3d = xcell_gd\n ycell3d = ycell_gd\n\n vgtyp3d = vghval3\n vgtop3d = 0.0\n\n ! Layer defined in soil depths.\n\n vglvs3d(:) = -999.9 ! initialized to ensure monotonicity\n\n DO i = 1, metsoi\n vglvs3d(i) = xzsoil(i)\n ENDDO\n \n ! Initialize FDESC3D and UPDESC3D array.\n\n fdesc3d(1:mxdesc3) = ' '\n updsc3d(1:mxdesc3) = ' '\n\n fdesc3d(:) = fdesc(:)\n updsc3d(:) = fdesc(:)\n\nEND SUBROUTINE comheader_soi\n" }, { "path": "PREP/mcip/src/const_mod.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nMODULE const\n\n!-------------------------------------------------------------------------------\n! Name: Constants\n! Purpose: Contains fundamental constants for air quality modeling.\n! Sets universal constants for all CMAQ programs.\n! Revised: ?? Jun 1992 Adapted from ROM's PI.EXT. (C. Coats)\n! 01 Mar 1993 Included constants needed by LCM aqueous chemistry.\n! (J. McHenry)\n! ?? Sep 1993 Included additional constants needed for FMEM clouds\n! and aqueous chemistry. (J. McHenry)\n! 04 Mar 1996 Reflect current Models3 view that MKS units should be\n! used wherever possible and that sources be documented.\n! Some variables have been added, names changed, and\n! values revised. (F. Binkowski)\n! 07 Mar 1996 Add universal gas constant and compute gas constant\n! in chemical form. TWOPI is now calculated rather\n! than input. (???)\n! 13 Mar 1996 Group declarations and parameter statements. (???)\n! 13 Sep 1996 Include more physical constants. (???)\n! 24 Dec 1996 Eliminate silly EPSILON, AMISS. (???)\n! 06 Jan 1997 Eliminate most derived constants. (J. Young)\n! 17 Jan 1997 Comments only to provide numerical values as\n! reference. (D. Byun)\n! 10 Sep 2001 Converted to free-form f90 and changed name from\n! CONST.EXT to module_const.f90. (T. Otte)\n! 16 Aug 2005 Updated declaration of PI to F90 standard. (T. Otte)\n! 21 Jun 2006 Updated calculations that use PI. (T. Otte)\n! 23 Apr 2008 Changed REARTH and DG2M (derived from REARTH) from\n! F90 parameters to values set from user input.\n! (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n!-------------------------------------------------------------------------------\n\n!-------------------------------------------------------------------------------\n! References:\n!\n! CRC76, \"CRC Handbook of Chemistry and Physics (76th Ed)\",\n! CRC Press, 1995 \n! Hobbs, P.V. \"Basic Physical Chemistry for the Atmospheric Sciences\",\n! Cambridge Univ. Press, 206 pp, 1995. \n! Snyder, J.P., \"Map Projections-A Working Manual, U.S. Geological Survey\n! Paper 1395 U.S.GPO, Washington, DC, 1987.\n! Stull, R. B., \"An Introduction to Bounday Layer Meteorology\", Kluwer, \n! Dordrecht, 1988\n!-------------------------------------------------------------------------------\n\n IMPLICIT NONE\n\n\n! Geometric Constants:\n\n ! pi (single precision: 3.141593)\n REAL(8), PARAMETER :: pi = 3.14159265358979324d0\n\n ! pi/180 [ rad/deg ]\n REAL, PARAMETER :: pi180 = REAL (pi / 1.8d2)\n\n\n! Geodetic Constants:\n \n ! radius of earth [ m ]\n ! -- radius of sphere having same surface area as Clarke ellipsoid of 1866\n ! (Source: Snyder, 1987)\n!!! REAL, PARAMETER :: rearth = 6370997.0\n REAL :: rearth\n\n ! length of a sidereal day [ sec ] (Source: CRC76, pp. 14-6) \n REAL, PARAMETER :: siday = 86164.09\n\n ! mean gravitational acceleration [ m/sec**2 ]\n ! -- mean of polar and equatorial values (Source: CRC76, pp. 14-6)\n REAL, PARAMETER :: grav = 9.80622\n\n ! latitude degrees to meters\n!!! REAL, PARAMETER :: dg2m = rearth * pi180\n REAL :: dg2m\n\n ! Solar Constant [ W/m**2 ] (Source: CRC76, pp. 14-2)\n REAL, PARAMETER :: solcnst = 1373.0\n\n\n! Fundamental Constants: (Source: CRC76, pp. 1-1 to 1-6)\n\n ! Avogadro's Constant [ number/mol ]\n REAL, PARAMETER :: avo = 6.0221367e23\n\n ! universal gas constant [ J/mol-K ]\n REAL, PARAMETER :: rgasuniv = 8.314510\n\n ! standard atmosphere [ Pa ]\n REAL, PARAMETER :: stdatmpa = 101325.0\n\n ! standard temperature [ K ]\n REAL, PARAMETER :: stdtemp = 273.15\n\n ! Stefan-Boltzmann [ W/(m**2 K**4) ]\n REAL, PARAMETER :: stfblz = 5.67051e-8\n\n\n! Non-MKS:\n\n ! Molar volume at STP [ L/mol ] Non MKS units\n REAL, PARAMETER :: molvol = 22.41410\n\n\n! Atmospheric Constants: \n\n ! mean molecular weight for dry air [ g/mol ]\n ! -- 78.06% N2, 21% O2, and 0.943% A on a mole fraction basis\n ! (Source: Hobbs, 1995, pp. 69-70)\n REAL, PARAMETER :: mwair = 28.9628\n\n ! dry-air gas constant [ 287.07548994 J/kg-K ]\n REAL, PARAMETER :: rdgas = 1.0e3 * rgasuniv / mwair\n\n ! mean molecular weight for water vapor [ g/mol ]\n REAL, PARAMETER :: mwwat = 18.0153\n\n ! gas constant for water vapor [ 461.52492604 J/kg-K ]\n REAL, PARAMETER :: rwvap = 1.0e3 * rgasuniv / mwwat\n\n ! FSB NOTE: CPD, CVD, CPWVAP and CVWVAP are calculated assuming dry air and\n ! water vapor are classical ideal gases, i.e. vibration does not contribute\n ! to internal energy.\n\n ! specific heat of dry air at constant pressure [ 1004.7642148 J/kg-K ]\n REAL, PARAMETER :: cpd = 7.0 * rdgas / 2.0\n\n ! specific heat of dry air at constant volume [ 717.68872485 J/kg-K ]\n REAL, PARAMETER :: cvd = 5.0 * rdgas / 2.0\n\n ! specific heat for water vapor at constant pressure [ 1846.0997042 J/kg-K ]\n REAL, PARAMETER :: cpwvap = 4.0 * rwvap\n\n ! specific heat for water vapor at constant volume [ 1384.5747781 J/kg-K ]\n REAL, PARAMETER :: cvwvap = 3.0 * rwvap\n\n ! vapor press of water at 0 C [ Pa ] (Source: CRC76 pp. 6-15)\n REAL, PARAMETER :: vp0 = 611.29\n\n ! The following values are taken from p. 641 of Stull (1988):\n\n ! latent heat of vaporization of water at 0 C [ J/kg ]\n REAL, PARAMETER :: lv0 = 2.501e6\n\n ! Rate of change of latent heat of vaporization w.r.t. temperature [ J/kg-K ]\n REAL, PARAMETER :: dlvdt = 2370.0\n\n ! latent heat of fusion of water at 0 C [ J/kg ]\n REAL, PARAMETER :: lf0 = 3.34e5\n\nEND MODULE const\n" }, { "path": "PREP/mcip/src/const_pbl_mod.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nMODULE const_pbl\n\n!-------------------------------------------------------------------------------\n! Name: Constants for Planetary Boundary Layer\n! Purpose: Parametric constants for describing planetary boundary layer.\n! Revised: 17 Jan 1997 Original version. (D. Byun)\n! 20 Jan 1997 Revised to reflect current Models-3 view that MKS\n! units should be used wherever possible, and that\n! sources be documented. Some variables have been\n! added, names changed, and values revised. (D. Byun)\n! 20 Sep 2001 Converted to free-form f90. (T. Otte)\n! 09 Apr 2007 Added IMPLICIT NONE. (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n! 21 Aug 2015 Added variables from WRF/ACM2 to support updated\n! calculation of Monin-Obukhov length within MCIP, which\n! allows for \"corrector\" portion of predictor/corrector\n! equation to be used in CMAQ. Removed unused variables\n! RICR, RIMAX, RIMIN, ALAMDAO, CH, ANEUT, BNEUT, ZREF,\n! PBLMAX, PBLMIN, and SIMILIM. (T. Spero)\n!-------------------------------------------------------------------------------\n\n IMPLICIT NONE\n\n ! Surface layer similarity\n\n ! (1) simple - no distinction for momentum and heat\n! REAL, PARAMETER :: vkar = 0.4\n! REAL, PARAMETER :: betam = 5.0\n! REAL, PARAMETER :: betah = 5.0\n! REAL, PARAMETER :: gamam = 16.0\n! REAL, PARAMETER :: gamah = 16.0\n! REAL, PARAMETER :: pro = 1.0\n\n ! (2) Businger, et al. (1971)\n! REAL, PARAMETER :: vkar = 0.35\n! REAL, PARAMETER :: betam = 4.7\n! REAL, PARAMETER :: betah = 6.35\n! REAL, PARAMETER :: gamam = 15.0\n! REAL, PARAMETER :: gamah = 9.0\n! REAL, PARAMETER :: pro = 0.74\n\n ! (3) Hogstrom (1988)\n REAL, PARAMETER :: vkar = 0.40\n REAL, PARAMETER :: betam = 6.00\n REAL, PARAMETER :: betah = 8.21\n REAL, PARAMETER :: gamam = 19.30\n REAL, PARAMETER :: gamah = 11.60\n REAL, PARAMETER :: pro = 0.95\n\n\n REAL, PARAMETER :: amolmin = 1.25 ! min allowed 1.0/ABS(MOL)\n\n\n ! Constants used by PBLSUP that are consistent with those used in WRF/ACM2\n ! (adapted from WRF's module_model_constants.f90 as of WRFV3.7).\n\n REAL, PARAMETER :: r_d = 287.0\n REAL, PARAMETER :: r_v = 461.6\n REAL, PARAMETER :: cp = 7.0 * r_d / 2.0\n REAL, PARAMETER :: ep_1 = r_v / r_d - 1.0\n\nEND MODULE const_pbl\n" }, { "path": "PREP/mcip/src/coord_mod.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nMODULE coord\n\n!-------------------------------------------------------------------------------\n! Name: Coordinate and Domain Descriptions\n! Purpose: Contains coordinate and domain descriptions.\n! Revised: 28 Jan 1998 Original version. (D. Byun)\n! 28 Jan 1998 Removed commented out old data. (J. Young)\n! 10 Sep 2001 Converted to free-form f90. (T. Otte)\n! 03 Oct 2001 Added variable COORDNAM_GD. Changed declarations\n! for real variables from REAL(8) to DOUBLE PRECISION.\n! (T. Otte)\n! 16 Aug 2005 Replaced DOUBLE PRECISION with REAL(8). (T. Otte)\n! 09 Apr 2007 Added IMPLICIT NONE. (T. Otte)\n! 30 Aug 2011 Changed F77 character declarations to F90 standard.\n! (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n!-------------------------------------------------------------------------------\n\n IMPLICIT NONE\n\n!-------------------------------------------------------------------------------\n! The definitions and declarations in this include file follow those\n! given in the I/O-API include file FDESC3C.EXT and replace similar\n! definitions. This include file is compatible with FDESC3C.EXT.\n!\n! All variable names end in string \"_GD\", which is a grid identifier for\n! multiple grid applications. \"_GD\" should be \"_G1\" for the first grid,\n! \"_G2\" for the second grid, etc.\n!\n! The horizontal grid definition information is REAL*8 in order \n! to achieve the required precision in geographic-to/from-grid\n! coordinate conversions.\n!-------------------------------------------------------------------------------\n\n!-------------------------------------------------------------------------------\n! GDTYP_GD:\n! The map projection type:\n! 1: LATGRD for lat-lon coordinates (unused)\n! 2: LAMGRD for Lambert coordinates\n! 3: MERGRD for Mercator coordinates\n! 4: STEGRD for Stereographic coordinates\n! 5: UTMGRD for UTM coordinates\n!-------------------------------------------------------------------------------\n\n INTEGER :: gdtyp_gd\n\n!-------------------------------------------------------------------------------\n! The definitions of the map projection specification parameters:\n! P_ALP_GD (PROJ_ALPHA),\n! P_BET_GD (PROJ_BETA),\n! P_GAM_GD (PROJ_GAMMA),\n! depend upon the projection type, as follows:\n! (Note: if P_ALP_GD < AMISS (=-9E36, from PARMS3.EXT), then the grid\n! description is missing or invalid.)\n! \n! Lambert P_ALP_GD <= P_BET_GD are the two latitudes that\n! determine the projection cone; P_GAM_GD is the\n! central meridian.\n! \n! Mercator P_ALP_GD and P_BET_GD are the latitude and longitude\n! of the coordinate origin (within the tangent circle);\n! P_GAM_GD is the angle between the cylinder axis\n! and the North polar axis.\n! \n! Stereographic P_ALP_GD and P_BET_GD are the latitude and longitude\n! of the point of tangency; P_GAM_GD is the angle from\n! true North to the Y-axis.\n! \n! UTM: P_ALP_GD is the UTM zone.\n! P_BET_GD and P_GAM_GD are unused.\n! \n! lat-lon: Currently not used. Coordinate units are degrees, with\n! -180.0 < X <= 180.0, -90.0 <= Y <= 90.0 \n! Western longitudes and southern latitudes are negative.\n!-------------------------------------------------------------------------------\n\n REAL(8) :: p_alp_gd ! degrees\n REAL(8) :: p_bet_gd ! degrees\n REAL(8) :: p_gam_gd ! degrees\n\n!-------------------------------------------------------------------------------\n! (XCENT_GD, YCENT_GD):\n! For Lambert, Mercator, and Stereographic, these are the \n! longitude, -180 < X <= 180, and the latitude, -90 <= Y <= 90, \n! for the center of the grid's respective Cartesian coordinate system.\n! For UTM: ?\n! For Lat-Lon: unused\n!-------------------------------------------------------------------------------\n \n REAL(8) :: xcent_gd ! degrees longitude\n REAL(8) :: ycent_gd ! degrees latitude\n\n!-------------------------------------------------------------------------------\n! (XORIG_GD, YORIG_GD):\n! For Lambert, Mercator, Stereographic, and UTM these are the\n! location in map units (Km) of the origin cell (1,1) (lower left corner)\n! of the of the horizontal grid measured from (XCENT_GD, YCENT_GD).\n! For Lat-Lon: units are degrees - unused\n!-------------------------------------------------------------------------------\n \n REAL(8) :: xorig_gd ! X-origin [m]\n REAL(8) :: yorig_gd ! Y-origin [m]\n\n!-------------------------------------------------------------------------------\n! (XCELL_GD, YCELL_GD):\n! The X-direction and Y-direction cell dimensions (m) for a regular grid\n! If zero, the grid is assumed irregular and described by other means (e.g.\n! a grid-geometry file).\n!-------------------------------------------------------------------------------\n \n REAL(8) :: xcell_gd ! X-cell dimension [m]\n REAL(8) :: ycell_gd ! Y-cell dimension [m]\n\n!-------------------------------------------------------------------------------\n! VGTYP_GD:\n! The vertical grid type:\n! 1: VGSIGP for sigma-P coordinates\n! 2: VGSGP0 for sigma-P0 coordinates\n! 3: VGSIGZ for sigma-Z coordinates\n! 4: VGETAP for eta-P coordinates\n! 5: VGPRES for pressure coordinates\n! 6: VGZVAL for Z (meters above ground)\n! 7: VHZVAL for H (meters above mean sea level)\n! 8: IMISS for vertical coordinates not stored in VGLVSD\n! (e.g., temporally or spatially changing vertical coordinates)\n!-------------------------------------------------------------------------------\n \n INTEGER :: vgtyp_gd\n\n!-------------------------------------------------------------------------------\n! VGTPUN_GD:\n! The units of the vertical coordinate top.\n!-------------------------------------------------------------------------------\n\n CHARACTER(LEN=16) :: vgtpun_gd\n\n!-------------------------------------------------------------------------------\n! VGTOP_GD:\n! The value for the model top used in the definition of the sigma\n! coordinate systems in the VGTPUN_GD units\n! For sigma-P, the relationship between pressure levels P and sigma-P is\n! given by the following formula:\n! sigma-P = ( P - VGTOP_GD ) / (P_srf - VGTOP_GD ),\n! where P_srf is the surface pressure.\n!-------------------------------------------------------------------------------\n\n REAL :: vgtop_gd\n\n!-------------------------------------------------------------------------------\n! VGLVUN_GD:\n! The units of the vertical coordinate surface values\n!-------------------------------------------------------------------------------\n\n CHARACTER(LEN=16) :: vglvun_gd\n\n!-------------------------------------------------------------------------------\n! VGLVS_GD( 1...NLAYS+1 ):\n! The list of vertical coordinate surface values in the VGLVUN_GD units\n! Layer k extends from VGLVS3D( k ) to VGLVS3D( k+1 ).\n!-------------------------------------------------------------------------------\n\n REAL, ALLOCATABLE :: vglvs_gd ( : )\n\n!-------------------------------------------------------------------------------\n! X3FACE_GD( 0: NLAYS ):\n! The list of vertical coordinate surface values in the VGLVUN_GD units \n! coverted to values monotonically increasing with altitude. ( 1 - VGLVS_GD )\n!-------------------------------------------------------------------------------\n\n REAL, ALLOCATABLE :: x3face_gd ( : )\n\n!-------------------------------------------------------------------------------\n! COORDNAM_GD:\n! The coordinate system name used for I/O-API description and GRIDDESC.\n!-------------------------------------------------------------------------------\n\n CHARACTER(LEN=16) :: coordnam_gd\n\n!-------------------------------------------------------------------------------\n! GDNAME_GD:\n! The grid name used for I/O-API description and GRIDDESC.\n!-------------------------------------------------------------------------------\n\n CHARACTER(LEN=16) :: gdname_gd\n\nEND MODULE coord\n" }, { "path": "PREP/mcip/src/ctmout.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nSUBROUTINE ctmout (mcip_now, sdate, stime)\n\n!-------------------------------------------------------------------------------\n! Name: CTM Output -- Create output for CTM\n! Purpose: Output time-varying fields.\n! Revised: 19 Dec 2018 Original version in MCIPv5.0. Subsumes parts of\n! metcro.f90, metdot.f90, soilcro.f90, and moscro.f90\n! from MCIPv4.5. (T. Spero)\n!-------------------------------------------------------------------------------\n\n USE mcipparm, ONLY: ioform\n\n IMPLICIT NONE\n\n CHARACTER(LEN=24), INTENT(IN) :: mcip_now\n INTEGER, INTENT(IN) :: sdate\n INTEGER, INTENT(IN) :: stime\n\n!-------------------------------------------------------------------------------\n! Write time-varying output fields.\n!-------------------------------------------------------------------------------\n\n SELECT CASE ( ioform )\n\n CASE ( 1 ) ! Models-3 I/O API\n CALL outcm3io (sdate, stime)\n\n CASE ( 2 ) ! netCDF\n CALL outncf (mcip_now, sdate, stime)\n CALL outncfbdy (mcip_now, sdate, stime)\n\n END SELECT\n\n!-------------------------------------------------------------------------------\n! Print sample output to log file.\n!-------------------------------------------------------------------------------\n\n CALL outclog\n\nEND SUBROUTINE ctmout\n" }, { "path": "PREP/mcip/src/ctmproc.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nSUBROUTINE ctmproc\n\n!-------------------------------------------------------------------------------\n! Name: Meteorology on Cross Points\n! Purpose: Compute and output time-dependent, cross-point parameters.\n! Revised: 15 Jan 1997 Created for MCIP and generalized CTM. (D. Byun)\n! 04 Feb 1998 LSM method for nonglobal variables changed. (???)\n! 30 Apr 1999 PSTAR was replaced with PRSFC and MAXK. (D. Byun)\n! 20 Sep 2001 Converted to free-form f90. Added interface for\n! COLLAPX and removed WORKC. Added interface for\n! SANITY and removed NCELLS. Removed IFTYPE and\n! dependence of TSTEP3D on this variable. This routine\n! always accesses time-dependent data. Removed ISTAT\n! from argument list. Changed DUMARAY0 and DUMARAY1 to\n! allocatable. Removed NLAYS from argument lists\n! for COMHEADER and COLLAPX. Added QICE, QSNOW, SOIM1,\n! SOIM2, SOIT1, SOIT2, and SLTYP to output. Removed\n! unused arrays for LAMDA and MCONERR. (T. Otte)\n! 11 Oct 2001 Changed lower-limit restrictions on MC3 and MB3 with\n! epsilon. (T. Otte)\n! 20 Nov 2001 Removed \"sanity\" checks. (T. Otte)\n! 27 Feb 2002 Changed \"stop\" statements to calls to \"m3exit\" for\n! graceful shut-down of I/O API files. Added logic\n! to enable \"missing\" variables in output to have\n! values of BADVAL3 < AMISS3, or 0.0, as appropriate.\n! Removed RIB from output. Renamed SURF2 as WIND10\n! and SURF1 as TEMP1P5. (T. Otte)\n! 27 Mar 2003 Corrected calculation of WGHT_TOP and WGHT_BOT that\n! is used to get WHAT_JD_C and WHAT_JD_B on full levels.\n! Removed extraneous calculation of X3MIDL. Changed\n! calls to COLLAPX to be on Jacobian coupled with\n! density instead of just Jacobian for better mass\n! conservation reasons. Changed subsequent calculations\n! of output variables based on Jacobian. Removed\n! JDRATE. (J. Pleim and T. Otte)\n! 09 Jun 2003 Added SNOCOV to output. (D. Schwede)\n! Removed extraneous variables from output. Also\n! removed unused file METBDY2D. (T. Otte)\n! 09 Aug 2004 Modified code so that arrays are made available in\n! output only if user options in MM5 generate those\n! data. Added graupel (QG), full Jacobian (JACOBS and\n! JACOBF), 10-m wind speed and direction (WSPD10 and\n! WDIR10), passed-through 2-m temperature (TEMP2), and\n! leaf-area index from Pleim-Xiu LSM to output.\n! Changed local array allocation to occur only on initial\n! call to subroutine to avoid memory fragmentation.\n! Added initialization of NTHIK3D for I/O API output.\n! (T. Otte and D. Schwede)\n! 31 Jan 2005 Changed output file names by removing \"_G1\". (T. Otte)\n! 19 Aug 2005 Added USE statement for new DEPVVARS module. Changed\n! internal variable EPSILON to EPSILONQ and internal\n! variable INDEX to IDX to avoid confusion with F90\n! intrinsic functions. Modified call to COLLAPX to\n! reflect that there is one option for layer collapsing.\n! (T. Otte)\n! 19 Jun 2006 Updated comment to reflect that there is only one\n! way to collapse fields. Corrected setting of\n! VNAME3D for dry deposition species. Removed unused\n! variable JDATE. (T. Otte)\n! 26 Jul 2007 Changed XUSTAR and XRADYN to 2D arrays without a\n! dimension for fractional land use that was required\n! for RADMdry. Removed 1.5-m and 10-m temperature\n! arrays. Fill 2-m temperature array regardless of\n! whether it is available in input meteorology.\n! Changed 2-m temperature from XT2 to XTEMP2. Added\n! VEG to output, made LAI a general output variable, and\n! added WR to output to support inline dry deposition\n! velocity calculations in CCTM. Removed RBNDYI and\n! JACOBS from output. (T. Otte)\n! 28 Apr 2008 Replaced variable NTHIKD with NTHIK and removed\n! options for NTHIK=0 in METBDY3D. Added Q2 to\n! METCRO2D, and added TKE or TKEF to METCRO3D and\n! METBDY3D if TKE is available in meteorology file.\n! (T. Otte)\n! Added cloud transmissivity variable to output if\n! external satellite data are provided. When satellite\n! data are available and this option is invoked,\n! photolysis rates in CMAQ are computed using cloud\n! cover, cloud transmissivity, cloud top and bottom\n! heights, and cloud fraction that are based on observed\n! fields rather than model-derived estimates. \n! Contributed by University of Alabama at Huntsville.\n! (A. Biazar and T. Otte)\n! 29 Oct 2009 Corrected an error in the mapping of TKE to DUMARAY1\n! and vice versa in the layer collapsing. Added user\n! option to output potential vorticity. Use XMAPC2\n! rather than squaring XMAPC each time routine is\n! called. Remove vertical velocity (predicted by the\n! meteorological model, WWIND) from output by default;\n! retain user option to output 3D field. (T. Otte)\n! 14 Dec 2010 Removed option to compute dry deposition velocities\n! in MCIP. Added sea ice. (T. Otte)\n! 11 Aug 2011 Replaced modules FDESC3, IODECL3, and PARMS3 with\n! I/O API module M3UTILIO. (T. Otte)\n! 01 Sep 2011 Changed name of module FILE to FILES to avoid conflict\n! with F90 protected intrinsic. Improved error\n! handling. (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n! 27 Apr 2015 Added 3D resolved cloud fraction (CFRAC_3D) to output\n! if it is available in incoming meteorological model\n! data (T. Spero)\n! 20 Aug 2015 Changed latent heat flux from QFX to LH. (T. Spero)\n! 30 Oct 2015 Changed WRITE statements for printing sampled data to\n! log file to eliminate warning messages. (T. Spero)\n! 22 Nov 2017 Added SNOWH to output. (T. Spero)\n! 26 Jun 2018 Updated units to conform to CF compliance.\n! Consolidated output variables into a single module\n! CTMVARS. Now use netCDF tokens for missing values.\n! (T. Spero)\n! 14 Sep 2018 Removed support for MM5v3 input. (T. Spero)\n! 13 Dec 2018 Updated to use new data structures. Removed deprecated\n! variables CFRAC, CLDT, CLDB, and WBAR. (T. Spero)\n! 17 Dec 2018 Moved parsing and processing of output fields on the\n! CCTM. grid to a different routine. Most of this\n! is from metcro.f90, soilcro.f90, moscro.f90, and\n! metdot.f90. (T. Spero)\n! 18 Jun 2019 Removed layer collapsing. Added new surface variables\n! with PX LSM that can improve dust simulation in CCTM.\n! Simplified calculation of JACOBM and JACOBF to remove\n! extra multiplication and division of density. Changed\n! variable LUVCOUT to LUVBOUT to reflect that the default\n! 3D wind components are on the Arakawa-C staggered grid,\n! and the optional additional 3D winds are on the\n! Arakawa-B staggered grid. Added optional variables\n! from KF convective scheme with radiative feedbacks.\n! (T. Spero)\n! 21 Nov 2019 Corrected error in setting the 3D fractional cloud\n! coverage on one of the lateral boundaries. (T. Spero)\n!-------------------------------------------------------------------------------\n\n USE mcipparm\n USE xvars\n USE ctmvars\n USE vgrd\n USE coord ! <--- fix this so that X3FACE and X3MIDL are moved TLS 14Dec18\n\n IMPLICIT NONE\n\n INTEGER :: c\n INTEGER :: cm1\n INTEGER :: col\n LOGICAL, SAVE :: first = .TRUE.\n INTEGER :: icld\n INTEGER :: idx\n INTEGER :: ii\n INTEGER :: ipv\n INTEGER :: itke\n INTEGER :: iwout\n REAL, SAVE, ALLOCATABLE :: jdenm ( : , : , : )\n INTEGER :: k\n INTEGER :: l\n INTEGER :: lvl\n INTEGER :: r\n REAL :: rhojmi\n INTEGER :: rm1\n INTEGER :: row\n REAL, SAVE, ALLOCATABLE :: wght_bot ( : )\n REAL, SAVE, ALLOCATABLE :: wght_top ( : )\n REAL :: x3jfmin\n REAL :: x3jmmin\n REAL :: xdnamin\n REAL :: xdnjmin\n REAL :: xmapmin\n REAL(8) :: xorigdot\n REAL, SAVE, ALLOCATABLE :: xrhojf ( : , : , : )\n REAL, SAVE, ALLOCATABLE :: xrhojm ( : , : , : )\n REAL, SAVE, ALLOCATABLE :: xuhat_s ( : , : , : )\n REAL, SAVE, ALLOCATABLE :: xvhat_t ( : , : , : )\n REAL(8) :: yorigdot\n\n!-------------------------------------------------------------------------------\n! Allocate necessary variables.\n!-------------------------------------------------------------------------------\n\n IF ( .NOT. ALLOCATED ( jdenm ) ) &\n ALLOCATE ( jdenm ( ncols_x+1, nrows_x+1, metlay ) )\n IF ( .NOT. ALLOCATED ( xrhojf ) ) &\n ALLOCATE ( xrhojf ( ncols_x, nrows_x, 0:metlay ) )\n IF ( .NOT. ALLOCATED ( xrhojm ) ) &\n ALLOCATE ( xrhojm ( ncols_x, nrows_x, metlay ) )\n IF ( .NOT. ALLOCATED ( xuhat_s ) ) &\n ALLOCATE ( xuhat_s ( ncols_x+1, nrows_x+1, metlay ) )\n IF ( .NOT. ALLOCATED ( xvhat_t ) ) &\n ALLOCATE ( xvhat_t ( ncols_x+1, nrows_x+1, metlay ) )\n\n!-------------------------------------------------------------------------------\n! Compute linear interpolation coefficients based on layer thickness.\n!-------------------------------------------------------------------------------\n\n IF ( first ) THEN\n\n ALLOCATE ( wght_top (nlays) )\n ALLOCATE ( wght_bot (nlays) )\n\n DO lvl = 1, nlays-1\n wght_top(lvl) = ( x3face_gd(lvl) - x3midl(lvl) ) &\n / ( x3midl (lvl+1) - x3midl(lvl) )\n wght_bot(lvl) = 1.0 - wght_top(lvl)\n ENDDO\n\n IF ( iftke ) THEN\n itke = 1\n ELSE\n itke = 0\n ENDIF\n IF ( lpv > 0 ) THEN\n ipv = 1\n ELSE\n ipv = 0\n ENDIF\n IF ( lwout > 0 ) THEN\n iwout = 1\n ELSE\n iwout = 0\n ENDIF\n IF ( ifcld3d ) THEN\n icld = 1\n ELSE\n icld = 0\n ENDIF\n\n first = .FALSE.\n\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Fill time-varying 2d fields at cell centers.\n!-------------------------------------------------------------------------------\n\n xmapmin = MINVAL(xmapc)\n x3jfmin = MINVAL(x3jacobf)\n\n DO row = 1, nrows\n r = row + nthik\n DO col = 1, ncols\n c = col + nthik\n\n c_prsfc%fld(col,row) = xprsfc(c,r)\n c_ustar%fld(col,row) = xustar(c,r)\n c_wstar%fld(col,row) = xwstar(c,r)\n c_pbl%fld(col,row) = xpbl(c,r)\n c_zruf%fld(col,row) = xzruf(c,r)\n\n IF ( xmol(c,r) < xmissing ) THEN\n c_moli%fld(col,row) = 0.0\n ELSE\n c_moli%fld(col,row) = 1.0 / xmol(c,r)\n ENDIF\n\n c_hfx%fld(col,row) = xhfx(c,r)\n c_lh%fld(col,row) = xlh(c,r)\n\n IF ( xradyn(c,r) < xmissing ) THEN\n c_radyni%fld(col,row) = 0.0\n ELSE\n c_radyni%fld(col,row) = 1.0 / xradyn(c,r)\n ENDIF\n\n IF ( xrstom(c,r) < xmissing ) THEN\n c_rstomi%fld(col,row) = 0.0\n ELSE\n c_rstomi%fld(col,row) = 1.0 / xrstom(c,r)\n ENDIF\n\n c_tempg%fld(col,row) = xtempg(c,r)\n c_temp2%fld(col,row) = xtemp2(c,r)\n c_q2%fld(col,row) = xq2(c,r)\n c_wspd10%fld(col,row) = xwspd10(c,r)\n c_wdir10%fld(col,row) = xwdir10(c,r)\n c_glw%fld(col,row) = xglw(c,r)\n c_gsw%fld(col,row) = xgsw(c,r)\n c_rgrnd%fld(col,row) = xrgrnd(c,r)\n\n c_rn%fld(col,row) = xrainn(c,r)\n c_rc%fld(col,row) = xrainc(c,r)\n\n c_cfrac%fld(col,row) = xcfract(c,r)\n c_cldt%fld(col,row) = xcldtop(c,r)\n c_cldb%fld(col,row) = xcldbot(c,r)\n c_wbar%fld(col,row) = xwbar(c,r)\n\n c_snocov%fld(col,row) = xsnocov(c,r)\n c_veg%fld(col,row) = xveg(c,r)\n c_lai%fld(col,row) = xlai(c,r)\n c_seaice%fld(col,row) = xseaice(c,r)\n c_snowh%fld(col,row) = xsnowh(c,r)\n\n IF ( ifwr ) THEN\n c_wr%fld(col,row) = xwr(c,r)\n ENDIF\n\n IF ( ifsoil ) THEN\n c_soim1%fld(col,row) = xwga(c,r)\n c_soim2%fld(col,row) = xw2a(c,r)\n c_soit1%fld(col,row) = xtga(c,r)\n c_soit2%fld(col,row) = xt2a(c,r)\n c_sltyp%fld(col,row) = xsltyp(c,r)\n ENDIF\n\n IF ( ifpxwrf41 ) THEN\n c_wsat_px%fld(col,row) = xwsat_px(c,r)\n c_wfc_px%fld(col,row) = xwfc_px(c,r)\n c_wwlt_px%fld(col,row) = xwwlt_px(c,r)\n c_csand_px%fld(col,row) = xcsand_px(c,r)\n c_fmsand_px%fld(col,row) = xfmsand_px(c,r)\n c_clay_px%fld(col,row) = xclay_px(c,r)\n ENDIF\n\n ENDDO\n ENDDO\n\n!-------------------------------------------------------------------------------\n! Calculate density*Jacobian on mid-layers and full levels.\n!-------------------------------------------------------------------------------\n\n DO k = 1, metlay\n DO r = 1, nrows_x\n DO c = 1, ncols_x\n\n xrhojm(c,r,k) = xdensam(c,r,k) * x3jacobm(c,r,k)\n\n ENDDO\n ENDDO\n ENDDO\n\n DO k = 0, metlay\n DO r = 1, nrows_x\n DO c = 1, ncols_x\n\n xrhojf(c,r,k) = xdensaf(c,r,k) * x3jacobf(c,r,k)\n\n ENDDO\n ENDDO\n ENDDO\n\n!-------------------------------------------------------------------------------\n! Scale potential vorticity by Jacobian*density/map-scale factor.\n!-------------------------------------------------------------------------------\n\n IF ( lpv > 0 ) THEN\n\n DO k = 1, metlay\n DO r = 1, nrows_x\n DO c = 1, ncols_x\n\n rhojmi = 1.0 / xrhojm(c,r,k)\n xpvc(c,r,k) = rhojmi * xpvc(c,r,k)\n\n ENDDO\n ENDDO\n ENDDO\n\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Compute density*Jacobian for X-domain. Persist outermost row and column\n! of cross-point JDENM field into non-physical dot-point array. These data\n! will be used to fill non-physical extra row/column of square/triangle flux\n! points. These data are just available so that large \"missing\" values do not\n! corrupt UHAT_S and VHAT_T fields for display purposes. Note that JDENM is\n! the portion of the UHAT_JD and VHAT_JD that includes (rho*J/m^2)*m.\n! Also note that this is a subtle deviation from equations 12-120a and 12-120b\n! in \"Science Algorithms of the EPA Models-3/CMAQ Modeling System\"\n! (EPA/600/R-99/030), since contravariant wind components (equations 12-119a and\n! 12-119b) are no longer computed in MCIP on dot points, and they are not stored\n! locally.\n!-------------------------------------------------------------------------------\n\n DO k = 1, metlay\n DO r = 1, nrows_x\n DO c = 1, ncols_x\n\n jdenm(c,r,k) = xdensam(c,r,k) * x3jacobm(c,r,k) / xmapc(c,r)\n\n ENDDO\n ENDDO\n ENDDO\n\n jdenm(ncols_x+1,:,:) = jdenm(ncols_x,:,:)\n jdenm(:,nrows_x+1,:) = jdenm(:,nrows_x,:)\n\n!-------------------------------------------------------------------------------\n! Compute contra-u*density*Jacobian at flux (square) points,\n! and compute contra-v*density*Jacobian at flux (triangle) points.\n!-------------------------------------------------------------------------------\n\n DO k = 1, metlay\n DO r = 1, nrows_x+1\n rm1 = MAX( r-1, 1 )\n DO c = 1, ncols_x+1\n cm1 = MAX( c-1, 1 )\n\n xuhat_s(c,r,k) = 0.5 * ( jdenm(cm1,r,k) + jdenm(c,r,k) ) * xuu_s(c,r,k)\n xvhat_t(c,r,k) = 0.5 * ( jdenm(c,rm1,k) + jdenm(c,r,k) ) * xvv_t(c,r,k)\n\n ENDDO\n ENDDO\n ENDDO\n\n!-------------------------------------------------------------------------------\n! Fill time-varying 3d fields at cell centers.\n!-------------------------------------------------------------------------------\n\n x3jmmin = MINVAL(x3jacobm)\n xdnamin = MINVAL(xdensam)\n\n DO row = 1, nrows\n r = row + nthik\n DO col = 1, ncols\n c = col + nthik\n DO lvl = 1, nlays\n\n ! Used in generalized vertical coordinates in CCTM.\n\n IF ( ( x3jfmin > xmissing ) .AND. ( xmapmin > xmissing ) ) THEN\n c_jacobf%fld(col,row,lvl) = x3jacobf(c,r,lvl) / xmapc2(c,r)\n ENDIF\n\n IF ( ( x3jmmin > xmissing ) .AND. ( xmapmin > xmissing ) ) THEN\n c_jacobm%fld(col,row,lvl) = x3jacobm(c,r,lvl) / xmapc2(c,r)\n ENDIF\n\n IF ( ( xdnamin > xmissing ) .AND. ( x3jmmin > xmissing ) ) THEN\n c_densa_j%fld(col,row,lvl) = xrhojm(c,r,lvl) / xmapc2(c,r)\n ENDIF\n\n ! State fields.\n\n c_ta%fld(col,row,lvl) = xtempm(c,r,lvl)\n c_qv%fld(col,row,lvl) = xwvapor(c,r,lvl)\n c_pres%fld(col,row,lvl) = xpresm(c,r,lvl)\n c_dens%fld(col,row,lvl) = xdensam(c,r,lvl)\n c_zh%fld(col,row,lvl) = x3htm(c,r,lvl)\n c_zf%fld(col,row,lvl) = x3htf(c,r,lvl)\n\n ! Moisture fields.\n\n IF ( nqspecies >= 2 ) THEN\n c_qc%fld(col,row,lvl) = xcldwtr(c,r,lvl)\n c_qr%fld(col,row,lvl) = xranwtr(c,r,lvl)\n IF ( nqspecies >= 4 ) THEN\n c_qi%fld(col,row,lvl) = xqice (c,r,lvl)\n c_qs%fld(col,row,lvl) = xqsnow(c,r,lvl)\n IF ( nqspecies == 5 ) THEN\n c_qg%fld(col,row,lvl) = xqgraup(c,r,lvl)\n ENDIF\n ENDIF\n ENDIF\n\n IF ( iftke ) THEN\n c_tke%fld(col,row,lvl) = xtke(c,r,lvl)\n ENDIF\n\n IF ( lpv > 0 ) THEN\n c_pv%fld(col,row,lvl) = xpvc(c,r,lvl)\n ENDIF\n\n IF ( lwout > 0 ) THEN\n c_wwind%fld(col,row,lvl) = xwwind(c,r,lvl)\n ENDIF\n\n IF ( ifcld3d ) THEN\n c_cfrac_3d%fld(col,row,lvl) = xcfrac3d(c,r,lvl)\n ENDIF\n\n IF ( ifkfradextras ) THEN\n c_qc_cu%fld(col,row,lvl) = xqc_cu(c,r,lvl)\n c_qi_cu%fld(col,row,lvl) = xqi_cu(c,r,lvl)\n c_cldfra_dp%fld(col,row,lvl) = xcldfrad(c,r,lvl)\n c_cldfra_sh%fld(col,row,lvl) = xcldfras(c,r,lvl)\n ENDIF\n\n ENDDO\n ENDDO\n ENDDO\n\n ! Added for mass consistency\n\n xdnjmin = MINVAL(c_densa_j%fld(:,:,:))\n\n IF ( xdnjmin > xmissing ) THEN\n\n DO row = 1, nrows\n r = row + nthik\n DO col = 1, ncols\n c = col + nthik\n DO lvl = 1, nlays-1\n\n c_what_jd%fld(col,row,lvl) = xwhat(c,r,lvl) * &\n ( wght_bot(lvl) * c_densa_j%fld(col,row,lvl) &\n + wght_top(lvl) * c_densa_j%fld(col,row,lvl+1) )\n ENDDO\n\n c_what_jd%fld(col,row,nlays) = 0.0\n\n ENDDO\n ENDDO\n\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Fill boundaries for time-varying 3d fields at cell centers.\n!-------------------------------------------------------------------------------\n\n idx = 0\n\n ! Southern boundary moving west to east from column 1 (in output grid) to\n ! column NCOLS+NTHIK.\n\n DO r = 1, nthik\n DO c = 1 + nthik, ncols_x\n idx = idx + 1\n DO lvl = 1, nlays\n\n ! Used in generalized vertical coordinates in CCTM.\n\n IF ( ( x3jfmin > xmissing ) .AND. ( xmapmin > xmissing ) ) THEN\n c_jacobf%bdy(idx,lvl) = x3jacobf(c,r,lvl) / xmapc2(c,r)\n ENDIF\n\n IF ( ( x3jmmin > xmissing ) .AND. ( xmapmin > xmissing ) ) THEN\n c_jacobm%bdy(idx,lvl) = x3jacobm(c,r,lvl) / xmapc2(c,r)\n ENDIF\n\n IF ( ( xdnamin > xmissing ) .AND. ( x3jmmin > xmissing ) ) THEN\n c_densa_j%bdy(idx,lvl) = xrhojm(c,r,lvl) / xmapc2(c,r)\n ENDIF\n\n ! State variables.\n\n c_ta%bdy(idx,lvl) = xtempm(c,r,lvl)\n c_qv%bdy(idx,lvl) = xwvapor(c,r,lvl)\n c_pres%bdy(idx,lvl) = xpresm(c,r,lvl)\n c_dens%bdy(idx,lvl) = xdensam(c,r,lvl)\n c_zh%bdy(idx,lvl) = x3htm(c,r,lvl)\n c_zf%bdy(idx,lvl) = x3htf(c,r,lvl)\n\n ! Moisture variables.\n\n IF ( nqspecies >= 2 ) THEN\n c_qc%bdy(idx,lvl) = xcldwtr(c,r,lvl)\n c_qr%bdy(idx,lvl) = xranwtr(c,r,lvl)\n IF ( nqspecies >= 4 ) THEN\n c_qi%bdy(idx,lvl) = xqice(c,r,lvl)\n c_qs%bdy(idx,lvl) = xqsnow(c,r,lvl)\n IF ( nqspecies == 5 ) THEN\n c_qg%bdy(idx,lvl) = xqgraup(c,r,lvl)\n ENDIF\n ENDIF\n ENDIF\n\n IF ( iftke ) THEN\n c_tke%bdy(idx,lvl) = xtke(c,r,lvl)\n ENDIF\n\n IF ( lpv > 0 ) THEN\n c_pv%bdy(idx,lvl) = xpvc(c,r,lvl)\n ENDIF\n\n IF ( lwout > 0 ) THEN\n c_wwind%bdy(idx,lvl) = xwwind(c,r,lvl)\n ENDIF\n\n IF ( ifcld3d ) THEN\n c_cfrac_3d%bdy(idx,lvl) = xcfrac3d(c,r,lvl)\n ENDIF\n\n IF ( ifkfradextras ) THEN\n c_qc_cu%bdy(idx,lvl) = xqc_cu(c,r,lvl)\n c_qi_cu%bdy(idx,lvl) = xqi_cu(c,r,lvl)\n c_cldfra_dp%bdy(idx,lvl) = xcldfrad(c,r,lvl)\n c_cldfra_sh%bdy(idx,lvl) = xcldfras(c,r,lvl)\n ENDIF\n\n ENDDO \n\n ! Added for mass consistency\n\n IF ( xdnjmin > xmissing ) THEN\n\n DO lvl = 1, nlays-1\n c_what_jd%bdy(idx,lvl) = xwhat(c,r,lvl) * &\n ( wght_bot(lvl) * c_densa_j%bdy(idx,lvl) &\n + wght_top(lvl) * c_densa_j%bdy(idx,lvl+1) )\n ENDDO\n\n c_what_jd%bdy(idx,nlays) = 0.0\n\n ENDIF\n\n ENDDO\n ENDDO\n\n ! Eastern boundary moving south to north from row 1 (in output grid) to\n ! row NROWS+NTHIK.\n\n DO r = 1+nthik, nrows_x\n DO l = 1, nthik\n c = ncols_x - nthik + l\n idx = idx + 1\n DO lvl = 1, nlays\n\n ! Used in generalized vertical coordinates in CCTM.\n\n IF ( ( x3jfmin > xmissing ) .AND. ( xmapmin > xmissing ) ) THEN\n c_jacobf%bdy(idx,lvl) = x3jacobf(c,r,lvl) / xmapc2(c,r)\n ENDIF\n\n IF ( ( x3jmmin > xmissing ) .AND. ( xmapmin > xmissing ) ) THEN\n c_jacobm%bdy(idx,lvl) = x3jacobm(c,r,lvl) / xmapc2(c,r)\n ENDIF\n\n IF ( ( xdnamin > xmissing ) .AND. ( x3jmmin > xmissing ) ) THEN\n c_densa_j%bdy(idx,lvl) = xrhojm(c,r,lvl) / xmapc2(c,r)\n ENDIF\n\n ! State variables.\n\n c_ta%bdy(idx,lvl) = xtempm(c,r,lvl)\n c_qv%bdy(idx,lvl) = xwvapor(c,r,lvl)\n c_pres%bdy(idx,lvl) = xpresm(c,r,lvl)\n c_dens%bdy(idx,lvl) = xdensam(c,r,lvl)\n c_zh%bdy(idx,lvl) = x3htm(c,r,lvl)\n c_zf%bdy(idx,lvl) = x3htf(c,r,lvl)\n\n ! Moisture variables.\n\n IF ( nqspecies >= 2 ) THEN\n c_qc%bdy(idx,lvl) = xcldwtr(c,r,lvl)\n c_qr%bdy(idx,lvl) = xranwtr(c,r,lvl)\n IF ( nqspecies >= 4 ) THEN\n c_qi%bdy(idx,lvl) = xqice(c,r,lvl)\n c_qs%bdy(idx,lvl) = xqsnow(c,r,lvl)\n IF ( nqspecies == 5 ) THEN\n c_qg%bdy(idx,lvl) = xqgraup(c,r,lvl)\n ENDIF\n ENDIF\n ENDIF\n\n IF ( iftke ) THEN\n c_tke%bdy(idx,lvl) = xtke(c,r,lvl)\n ENDIF\n\n IF ( lpv > 0 ) THEN\n c_pv%bdy(idx,lvl) = xpvc(c,r,lvl)\n ENDIF\n\n IF ( lwout > 0 ) THEN\n c_wwind%bdy(idx,lvl) = xwwind(c,r,lvl)\n ENDIF\n\n IF ( ifcld3d ) THEN\n c_cfrac_3d%bdy(idx,lvl) = xcfrac3d(c,r,lvl)\n ENDIF\n\n IF ( ifkfradextras ) THEN\n c_qc_cu%bdy(idx,lvl) = xqc_cu(c,r,lvl)\n c_qi_cu%bdy(idx,lvl) = xqi_cu(c,r,lvl)\n c_cldfra_dp%bdy(idx,lvl) = xcldfrad(c,r,lvl)\n c_cldfra_sh%bdy(idx,lvl) = xcldfras(c,r,lvl)\n ENDIF\n\n ENDDO \n\n ! Added for mass consistency\n\n IF ( xdnjmin > xmissing ) THEN\n\n DO lvl = 1, nlays-1\n c_what_jd%bdy(idx,lvl) = xwhat(c,r,lvl) * &\n ( wght_bot(lvl) * c_densa_j%bdy(idx,lvl) &\n + wght_top(lvl) * c_densa_j%bdy(idx,lvl+1) )\n ENDDO\n\n c_what_jd%bdy(idx,nlays) = 0.0\n\n ENDIF\n\n ENDDO\n ENDDO\n\n ! Northern boundary moving west to east from column 1-NTHIK (in output grid)\n ! to column NCOLS.\n\n DO l = 1, nthik\n r = nrows_x - nthik + l\n DO c = 1, ncols_x - nthik\n\n idx = idx + 1\n\n DO lvl = 1, nlays\n\n ! Used in generalized vertical coordinates in CCTM.\n\n IF ( ( x3jfmin > xmissing ) .AND. ( xmapmin > xmissing ) ) THEN\n c_jacobf%bdy(idx,lvl) = x3jacobf(c,r,lvl) / xmapc2(c,r)\n ENDIF\n\n IF ( ( x3jmmin > xmissing ) .AND. ( xmapmin > xmissing ) ) THEN\n c_jacobm%bdy(idx,lvl) = x3jacobm(c,r,lvl) / xmapc2(c,r)\n ENDIF\n\n IF ( ( xdnamin > xmissing ) .AND. ( x3jmmin > xmissing ) ) THEN\n c_densa_j%bdy(idx,lvl) = xrhojm(c,r,lvl) / xmapc2(c,r)\n ENDIF\n\n ! State variables.\n\n c_ta%bdy(idx,lvl) = xtempm(c,r,lvl)\n c_qv%bdy(idx,lvl) = xwvapor(c,r,lvl)\n c_pres%bdy(idx,lvl) = xpresm(c,r,lvl)\n c_dens%bdy(idx,lvl) = xdensam(c,r,lvl)\n c_zh%bdy(idx,lvl) = x3htm(c,r,lvl)\n c_zf%bdy(idx,lvl) = x3htf(c,r,lvl)\n\n ! Moisture variables.\n\n IF ( nqspecies >= 2 ) THEN\n c_qc%bdy(idx,lvl) = xcldwtr(c,r,lvl)\n c_qr%bdy(idx,lvl) = xranwtr(c,r,lvl)\n IF ( nqspecies >= 4 ) THEN\n c_qi%bdy(idx,lvl) = xqice(c,r,lvl)\n c_qs%bdy(idx,lvl) = xqsnow(c,r,lvl)\n IF ( nqspecies == 5 ) THEN\n c_qg%bdy(idx,lvl) = xqgraup(c,r,lvl)\n ENDIF\n ENDIF\n ENDIF\n\n IF ( iftke ) THEN\n c_tke%bdy(idx,lvl) = xtke(c,r,lvl)\n ENDIF\n\n IF ( lpv > 0 ) THEN\n c_pv%bdy(idx,lvl) = xpvc(c,r,lvl)\n ENDIF\n\n IF ( lwout > 0 ) THEN\n c_wwind%bdy(idx,lvl) = xwwind(c,r,lvl)\n ENDIF\n\n IF ( ifcld3d ) THEN\n c_cfrac_3d%bdy(idx,lvl) = xcfrac3d(c,r,lvl)\n ENDIF\n\n IF ( ifkfradextras ) THEN\n c_qc_cu%bdy(idx,lvl) = xqc_cu(c,r,lvl)\n c_qi_cu%bdy(idx,lvl) = xqi_cu(c,r,lvl)\n c_cldfra_dp%bdy(idx,lvl) = xcldfrad(c,r,lvl)\n c_cldfra_sh%bdy(idx,lvl) = xcldfras(c,r,lvl)\n ENDIF\n\n ENDDO \n\n ! Added for mass consistency\n\n IF ( xdnjmin > xmissing ) THEN\n\n DO lvl = 1, nlays-1\n c_what_jd%bdy(idx,lvl) = xwhat(c,r,lvl) * &\n ( wght_bot(lvl) * c_densa_j%bdy(idx,lvl) & \n + wght_top(lvl) * c_densa_j%bdy(idx,lvl+1) )\n ENDDO\n\n c_what_jd%bdy(idx,nlays) = 0.0\n\n ENDIF\n\n ENDDO\n ENDDO\n \n ! Western boundary moving south to north from row 1-NTHIK (in output grid)\n ! to row NROWS.\n\n DO r = 1, nrows_x - nthik\n DO c = 1, nthik\n idx = idx + 1\n DO lvl = 1, nlays\n\n ! Used in generalized vertical coordinates in CCTM.\n\n IF ( ( x3jfmin > xmissing ) .AND. ( xmapmin > xmissing ) ) THEN\n c_jacobf%bdy(idx,lvl) = x3jacobf(c,r,lvl) / xmapc2(c,r)\n ENDIF\n\n IF ( ( x3jmmin > xmissing ) .AND. ( xmapmin > xmissing ) ) THEN\n c_jacobm%bdy(idx,lvl) = x3jacobm(c,r,lvl) / xmapc2(c,r)\n ENDIF\n\n IF ( ( xdnamin > xmissing ) .AND. ( x3jmmin > xmissing ) ) THEN\n c_densa_j%bdy(idx,lvl) = xrhojm(c,r,lvl) / xmapc2(c,r)\n ENDIF\n\n ! State variables.\n\n c_ta%bdy(idx,lvl) = xtempm(c,r,lvl)\n c_qv%bdy(idx,lvl) = xwvapor(c,r,lvl)\n c_pres%bdy(idx,lvl) = xpresm(c,r,lvl)\n c_dens%bdy(idx,lvl) = xdensam(c,r,lvl)\n c_zh%bdy(idx,lvl) = x3htm(c,r,lvl)\n c_zf%bdy(idx,lvl) = x3htf(c,r,lvl)\n\n ! Moisture variables.\n\n IF ( nqspecies >= 2 ) THEN\n c_qc%bdy(idx,lvl) = xcldwtr(c,r,lvl)\n c_qr%bdy(idx,lvl) = xranwtr(c,r,lvl)\n IF ( nqspecies >= 4 ) THEN\n c_qi%bdy(idx,lvl) = xqice(c,r,lvl)\n c_qs%bdy(idx,lvl) = xqsnow(c,r,lvl)\n IF ( nqspecies == 5 ) THEN\n c_qg%bdy(idx,lvl) = xqgraup(c,r,lvl)\n ENDIF\n ENDIF\n ENDIF\n\n IF ( iftke ) THEN\n c_tke%bdy(idx,lvl) = xtke(c,r,lvl)\n ENDIF\n\n IF ( lpv > 0 ) THEN\n c_pv%bdy(idx,lvl) = xpvc(c,r,lvl)\n ENDIF\n\n IF ( lwout > 0 ) THEN\n c_wwind%bdy(idx,lvl) = xwwind(c,r,lvl)\n ENDIF\n\n IF ( ifcld3d ) THEN\n c_cfrac_3d%bdy(idx,lvl) = xcfrac3d(c,r,lvl)\n ENDIF\n\n IF ( ifkfradextras ) THEN\n c_qc_cu%bdy(idx,lvl) = xqc_cu(c,r,lvl)\n c_qi_cu%bdy(idx,lvl) = xqi_cu(c,r,lvl)\n c_cldfra_dp%bdy(idx,lvl) = xcldfrad(c,r,lvl)\n c_cldfra_sh%bdy(idx,lvl) = xcldfras(c,r,lvl)\n ENDIF\n\n ENDDO \n\n ! Added for mass consistency\n\n IF ( xdnjmin > xmissing ) THEN\n\n DO lvl = 1, nlays-1\n c_what_jd%bdy(idx,lvl) = xwhat(c,r,lvl) * &\n ( wght_bot(lvl) * c_densa_j%bdy(idx,lvl) &\n + wght_top(lvl) * c_densa_j%bdy(idx,lvl+1) )\n ENDDO\n\n c_what_jd%bdy(idx,nlays) = 0.0\n\n ENDIF\n\n ENDDO\n ENDDO\n\n!-------------------------------------------------------------------------------\n! Fill time-varying 3d fields at cell corners and cell faces.\n!\n! These arrays are all set to the dot-point dimensions to accommodate the\n! false dot points in the Arakawa-C staggered grid that are output in\n! Models-3 I/O API \"DOT\" files. When the output is written in netCDF, the\n! true dimensions of the Arakawa-C staggered fields are used.\n!-------------------------------------------------------------------------------\n\n DO k = 1, nlays\n DO row = 1, nrows+1\n r = row + nthik\n DO col = 1, ncols+1\n c = col + nthik\n\n c_uwindc%fld(col,row,k) = xuu_s(c,r,k)\n c_vwindc%fld(col,row,k) = xvv_t(c,r,k)\n c_uhat_jd%fld(col,row,k) = xuhat_s(c,r,k)\n c_vhat_jd%fld(col,row,k) = xvhat_t(c,r,k)\n\n IF ( luvbout > 0 ) THEN\n c_uwind%fld(col,row,k) = xuu_d(c,r,k)\n c_vwind%fld(col,row,k) = xvv_d(c,r,k)\n ENDIF\n\n ENDDO\n ENDDO\n ENDDO\n\n!-------------------------------------------------------------------------------\n! Fill time-varying 3d fields (soil layers) at cell centers.\n!-------------------------------------------------------------------------------\n\n IF ( ifsoil ) THEN\n\n DO row = 1, nrows\n r = row + nthik\n DO col = 1, ncols\n c = col + nthik\n DO lvl = 1, metsoi\n\n c_soit3d%fld(col,row,lvl) = xsoit3d(c,r,lvl)\n c_soim3d%fld(col,row,lvl) = xsoim3d(c,r,lvl)\n\n ENDDO\n ENDDO\n ENDDO\n\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Fill time-varying 3d fields (mosaic land use categories) at cell centers.\n!-------------------------------------------------------------------------------\n\n IF ( ifmosaic ) THEN\n\n DO row = 1, nrows\n r = row + nthik\n DO col = 1, ncols\n c = col + nthik\n DO lvl = 1, nummosaic\n\n c_lufrac2%fld(col,row,lvl) = xlufrac2 (c,r,lvl)\n c_moscat%fld(col,row,lvl) = xmoscatidx(c,r,lvl)\n c_lai_mos%fld(col,row,lvl) = xlai_mos (c,r,lvl)\n\n IF ( xra_mos(c,r,lvl) < xmissing ) THEN\n c_rai_mos%fld(col,row,lvl) = 0.0\n ELSE\n c_rai_mos%fld(col,row,lvl) = 1.0 / xra_mos(c,r,lvl)\n ENDIF\n\n IF ( xrs_mos(c,r,lvl) < xmissing ) THEN\n c_rsi_mos%fld(col,row,lvl) = 0.0\n ELSE\n c_rsi_mos%fld(col,row,lvl) = 1.0 / xrs_mos(c,r,lvl)\n ENDIF\n\n c_tsk_mos%fld(col,row,lvl) = xtsk_mos (c,r,lvl)\n c_znt_mos%fld(col,row,lvl) = xznt_mos (c,r,lvl)\n\n ENDDO\n ENDDO\n ENDDO\n\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Deallocate variables.\n!-------------------------------------------------------------------------------\n\n! DEALLOCATE ( jdenm ) ! commented out to avoid memory fragmentation\n! DEALLOCATE ( xrhojf ) ! commented out to avoid memory fragmentation\n! DEALLOCATE ( xrhojm ) ! commented out to avoid memory fragmentation\n! DEALLOCATE ( xuhat_s ) ! commented out to avoid memory fragmentation\n! DEALLOCATE ( xvhat_t ) ! commented out to avoid memory fragmentation\n\nEND SUBROUTINE ctmproc\n" }, { "path": "PREP/mcip/src/ctmvars_mod.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nMODULE ctmvars\n\n!-------------------------------------------------------------------------------\n! Name: Meteorology Variables Output for CTM\n! Purpose: Contains output meteorology arrays.\n! Revised: 22 Jun 2018 Original version created by combining modules GROUTCOM,\n! LUOUTCOM, MCOUTCOM, MDOUTCOM, MOSOUTCOM, and SOIOUTCOM.\n! (T. Spero)\n! 14 Sep 2018 Removed support for MM5v3 input. (T. Spero)\n! 13 Dec 2018 Built new data structures. (T. Spero)\n! 18 Jun 2019 Added new surface variables with PX LSM that can\n! improve dust simulation in CCTM. Added optional\n! variables from KF convective scheme with radiative\n! feedbacks. (T. Spero)\n!-------------------------------------------------------------------------------\n\n IMPLICIT NONE\n\n!-------------------------------------------------------------------------------\n! Define data structures.\n!-------------------------------------------------------------------------------\n\n TYPE fld2ddata\n REAL, POINTER :: fld ( : , : )\n REAL, POINTER :: bdy ( : )\n CHARACTER(LEN=16) :: fldname\n CHARACTER(LEN=80) :: long_name\n CHARACTER(LEN=16) :: units\n CHARACTER(LEN=16) :: dimnames ( 4 )\n INTEGER :: istart ( 4 )\n INTEGER :: iend ( 4 )\n CHARACTER(LEN=16) :: dimnames_b ( 4 )\n INTEGER :: istart_b ( 4 )\n INTEGER :: iend_b ( 4 )\n END TYPE fld2ddata\n\n TYPE fld3ddata\n REAL, POINTER :: fld ( : , : , : )\n REAL, POINTER :: bdy ( : , : )\n CHARACTER(LEN=16) :: fldname\n CHARACTER(LEN=80) :: long_name\n CHARACTER(LEN=16) :: units\n CHARACTER(LEN=16) :: dimnames ( 4 )\n INTEGER :: istart ( 4 )\n INTEGER :: iend ( 4 )\n CHARACTER(LEN=16) :: dimnames_b ( 4 )\n INTEGER :: istart_b ( 4 )\n INTEGER :: iend_b ( 4 )\n END TYPE fld3ddata\n\n!-------------------------------------------------------------------------------\n! Time-independent 2d fields at cell centers.\n!-------------------------------------------------------------------------------\n\n TYPE(fld2ddata), ALLOCATABLE, TARGET :: fld2dxy ( : )\n\n TYPE(fld2ddata), POINTER :: g_lat\n TYPE(fld2ddata), POINTER :: g_lon\n TYPE(fld2ddata), POINTER :: g_msfx2\n TYPE(fld2ddata), POINTER :: g_ht\n TYPE(fld2ddata), POINTER :: g_dluse\n TYPE(fld2ddata), POINTER :: g_lwmask\n TYPE(fld2ddata), POINTER :: g_purb\n\n!-------------------------------------------------------------------------------\n! Time independent 2d fields at cell corners and cell faces.\n!-------------------------------------------------------------------------------\n\n TYPE(fld2ddata), ALLOCATABLE, TARGET :: fld2dxy_d ( : )\n\n TYPE(fld2ddata), POINTER :: g_latd\n TYPE(fld2ddata), POINTER :: g_lond\n TYPE(fld2ddata), POINTER :: g_msfd2\n TYPE(fld2ddata), POINTER :: g_latu\n TYPE(fld2ddata), POINTER :: g_lonu\n TYPE(fld2ddata), POINTER :: g_msfu2\n TYPE(fld2ddata), POINTER :: g_latv\n TYPE(fld2ddata), POINTER :: g_lonv\n TYPE(fld2ddata), POINTER :: g_msfv2\n\n!-------------------------------------------------------------------------------\n! Time-independent 3d fields (fractional land use) at cell centers.\n!-------------------------------------------------------------------------------\n\n TYPE(fld3ddata), ALLOCATABLE, TARGET :: fld3dxyl ( : )\n\n TYPE(fld3ddata), POINTER :: g_lufrac\n\n!-------------------------------------------------------------------------------\n! Time-varying 2d fields at cell centers.\n!-------------------------------------------------------------------------------\n\n TYPE(fld2ddata), ALLOCATABLE, TARGET :: fld2dxyt ( : )\n\n TYPE(fld2ddata), POINTER :: c_prsfc\n TYPE(fld2ddata), POINTER :: c_ustar\n TYPE(fld2ddata), POINTER :: c_wstar\n TYPE(fld2ddata), POINTER :: c_pbl\n TYPE(fld2ddata), POINTER :: c_zruf\n TYPE(fld2ddata), POINTER :: c_moli\n TYPE(fld2ddata), POINTER :: c_hfx\n TYPE(fld2ddata), POINTER :: c_lh\n TYPE(fld2ddata), POINTER :: c_radyni\n TYPE(fld2ddata), POINTER :: c_rstomi\n TYPE(fld2ddata), POINTER :: c_tempg\n TYPE(fld2ddata), POINTER :: c_temp2\n TYPE(fld2ddata), POINTER :: c_q2\n TYPE(fld2ddata), POINTER :: c_wspd10\n TYPE(fld2ddata), POINTER :: c_wdir10\n TYPE(fld2ddata), POINTER :: c_glw\n TYPE(fld2ddata), POINTER :: c_gsw\n TYPE(fld2ddata), POINTER :: c_rgrnd\n TYPE(fld2ddata), POINTER :: c_rn\n TYPE(fld2ddata), POINTER :: c_rc\n TYPE(fld2ddata), POINTER :: c_cfrac\n TYPE(fld2ddata), POINTER :: c_cldt\n TYPE(fld2ddata), POINTER :: c_cldb\n TYPE(fld2ddata), POINTER :: c_wbar\n TYPE(fld2ddata), POINTER :: c_snocov\n TYPE(fld2ddata), POINTER :: c_veg\n TYPE(fld2ddata), POINTER :: c_lai\n TYPE(fld2ddata), POINTER :: c_seaice\n TYPE(fld2ddata), POINTER :: c_snowh\n TYPE(fld2ddata), POINTER :: c_wr\n TYPE(fld2ddata), POINTER :: c_soim1\n TYPE(fld2ddata), POINTER :: c_soim2\n TYPE(fld2ddata), POINTER :: c_soit1\n TYPE(fld2ddata), POINTER :: c_soit2\n TYPE(fld2ddata), POINTER :: c_sltyp\n TYPE(fld2ddata), POINTER :: c_wsat_px\n TYPE(fld2ddata), POINTER :: c_wfc_px\n TYPE(fld2ddata), POINTER :: c_wwlt_px\n TYPE(fld2ddata), POINTER :: c_csand_px\n TYPE(fld2ddata), POINTER :: c_fmsand_px\n TYPE(fld2ddata), POINTER :: c_clay_px\n\n!-------------------------------------------------------------------------------\n! Time-varying 3d fields at cell centers.\n!-------------------------------------------------------------------------------\n\n TYPE(fld3ddata), ALLOCATABLE, TARGET :: fld3dxyzt ( : )\n\n TYPE(fld3ddata), POINTER :: c_jacobf\n TYPE(fld3ddata), POINTER :: c_jacobm\n TYPE(fld3ddata), POINTER :: c_densa_j\n TYPE(fld3ddata), POINTER :: c_what_jd\n TYPE(fld3ddata), POINTER :: c_ta\n TYPE(fld3ddata), POINTER :: c_qv\n TYPE(fld3ddata), POINTER :: c_pres\n TYPE(fld3ddata), POINTER :: c_dens\n TYPE(fld3ddata), POINTER :: c_zh\n TYPE(fld3ddata), POINTER :: c_zf\n TYPE(fld3ddata), POINTER :: c_tke\n TYPE(fld3ddata), POINTER :: c_pv\n TYPE(fld3ddata), POINTER :: c_wwind\n TYPE(fld3ddata), POINTER :: c_cfrac_3d\n\n\n TYPE(fld3ddata), ALLOCATABLE, TARGET :: fld3dxyzt_q ( : )\n\n TYPE(fld3ddata), POINTER :: c_qc\n TYPE(fld3ddata), POINTER :: c_qr\n TYPE(fld3ddata), POINTER :: c_qi\n TYPE(fld3ddata), POINTER :: c_qs\n TYPE(fld3ddata), POINTER :: c_qg\n TYPE(fld3ddata), POINTER :: c_qc_cu\n TYPE(fld3ddata), POINTER :: c_qi_cu\n TYPE(fld3ddata), POINTER :: c_cldfra_dp\n TYPE(fld3ddata), POINTER :: c_cldfra_sh\n\n!-------------------------------------------------------------------------------\n! Time-varying 3d fields at cell corners and cell faces.\n!-------------------------------------------------------------------------------\n\n TYPE(fld3ddata), ALLOCATABLE, TARGET :: fld3dxyzt_d ( : )\n\n TYPE(fld3ddata), POINTER :: c_uwindc\n TYPE(fld3ddata), POINTER :: c_vwindc\n TYPE(fld3ddata), POINTER :: c_uhat_jd\n TYPE(fld3ddata), POINTER :: c_vhat_jd\n TYPE(fld3ddata), POINTER :: c_uwind\n TYPE(fld3ddata), POINTER :: c_vwind\n\n!-------------------------------------------------------------------------------\n! Time-varying 3d fields (soil layers) at cell centers.\n!-------------------------------------------------------------------------------\n\n TYPE(fld3ddata), ALLOCATABLE, TARGET :: fld3dxyst ( : )\n\n TYPE(fld3ddata), POINTER :: c_soit3d\n TYPE(fld3ddata), POINTER :: c_soim3d\n\n!-------------------------------------------------------------------------------\n! Time-varying 3d fields (mosaic land use categories) at cell centers.\n!-------------------------------------------------------------------------------\n\n TYPE(fld3ddata), ALLOCATABLE, TARGET :: fld3dxymt ( : )\n\n TYPE(fld3ddata), POINTER :: c_lufrac2\n TYPE(fld3ddata), POINTER :: c_moscat\n TYPE(fld3ddata), POINTER :: c_lai_mos\n TYPE(fld3ddata), POINTER :: c_rai_mos\n TYPE(fld3ddata), POINTER :: c_rsi_mos\n TYPE(fld3ddata), POINTER :: c_tsk_mos\n TYPE(fld3ddata), POINTER :: c_znt_mos\n\nEND MODULE ctmvars\n" }, { "path": "PREP/mcip/src/date_pack_mod.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nMODULE date_pack\n\n!-------------------------------------------------------------------------------\n! Name: Date Utility Programs\n! Purpose: Manipulate 24-character date representation in MM5v3.\n! Notes: This routine has been modified from NCAR's MM5 utility code,\n! and it has been adapted for use with the Models-3/CMAQ system.\n! Revised: 17 Feb 2001 Original version. (NCAR)\n! 10 Sep 2001 Modified for use with MCIP. (T. Otte)\n! 18 Aug 2005 Changed internal variable NLEN to NEWLEN and internal\n! variable ISIGN to IFAC to avoid confusion with F90\n! intrinsic functions. (T. Otte)\n! 31 Aug 2011 Removed unused variables. Assume input to GETH_IDTS\n! is CHARACTER(LEN=19). (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n!-------------------------------------------------------------------------------\n\n! 1. geth_idts (ndate, odate, idts)\n! Get the time period between two dates.\n\n! 2. geth_newdate ( ndate, odate, idts)\n! Get the new date based on the old date and a time difference.\n\n! 3. split_date_char ( date , century_year , month , day , hour , minute , second )\n! Given the date, return the integer components.\n\nCONTAINS\n\n!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!\n\n SUBROUTINE geth_idts (newdate, olddate, idts)\n \n IMPLICIT NONE\n \n ! From 2 input mdates ('YYYY-MM-DD HH:MM:SS.ffff'), \n ! compute the time difference.\n \n ! on entry - ndate - the new hdate.\n ! odate - the old hdate.\n \n ! on exit - idts - the change in time in seconds.\n \n CHARACTER(LEN=19), INTENT(IN) :: newdate, olddate\n INTEGER, INTENT(OUT) :: idts\n \n ! Local Variables\n \n ! yrnew - indicates the year associated with \"ndate\"\n ! yrold - indicates the year associated with \"odate\"\n ! monew - indicates the month associated with \"ndate\"\n ! moold - indicates the month associated with \"odate\"\n ! dynew - indicates the day associated with \"ndate\"\n ! dyold - indicates the day associated with \"odate\"\n ! hrnew - indicates the hour associated with \"ndate\"\n ! hrold - indicates the hour associated with \"odate\"\n ! minew - indicates the minute associated with \"ndate\"\n ! miold - indicates the minute associated with \"odate\"\n ! scnew - indicates the second associated with \"ndate\"\n ! scold - indicates the second associated with \"odate\"\n ! i - loop counter\n ! mday - a list assigning the number of days in each month\n \n CHARACTER(LEN=19) :: ndate, odate\n INTEGER :: yrnew, monew, dynew, hrnew, minew, scnew\n INTEGER :: yrold, moold, dyold, hrold, miold, scold\n INTEGER :: mday(12), i, newdys, olddys\n LOGICAL :: npass, opass\n INTEGER :: ifac\n \n IF (olddate.GT.newdate) THEN\n ifac = -1\n ndate = olddate\n odate = newdate\n ELSE\n ndate = newdate\n odate = olddate\n ifac = 1\n END IF\n \n ! Assign the number of days in a months\n \n mday( 1) = 31\n mday( 2) = 28\n mday( 3) = 31\n mday( 4) = 30\n mday( 5) = 31\n mday( 6) = 30\n mday( 7) = 31\n mday( 8) = 31\n mday( 9) = 30\n mday(10) = 31\n mday(11) = 30\n mday(12) = 31\n \n ! Break down old hdate into parts\n \n hrold = 0\n miold = 0\n scold = 0\n \n READ (odate( 1: 4), '(i4)') yrold\n READ (odate( 6: 7), '(i2)') moold\n READ (odate( 9:10), '(i2)') dyold\n READ (odate(12:13), '(i2)') hrold\n READ (odate(15:16), '(i2)') miold\n READ (odate(18:19), '(i2)') scold\n\n ! Break down new hdate into parts\n\n hrnew = 0\n minew = 0\n scnew = 0\n\n READ (ndate( 1: 4), '(i4)') yrnew\n READ (ndate( 6: 7), '(i2)') monew\n READ (ndate( 9:10), '(i2)') dynew\n READ (ndate(12:13), '(i2)') hrnew\n READ (ndate(15:16), '(i2)') minew\n READ (ndate(18:19), '(i2)') scnew\n\n ! Check that the dates make sense.\n \n npass = .true.\n opass = .true.\n \n ! Check that the month of NDATE makes sense.\n \n IF ((monew.GT.12).or.(monew.LT.1)) THEN\n PRINT*, 'GETH_IDTS: Month of NDATE = ', monew\n npass = .false.\n END IF\n \n ! Check that the month of ODATE makes sense.\n \n IF ((moold.GT.12).or.(moold.LT.1)) THEN\n PRINT*, 'GETH_IDTS: Month of ODATE = ', moold\n opass = .false.\n END IF\n \n ! Check that the day of NDATE makes sense.\n \n IF (monew.ne.2) THEN\n ! ...... For all months but February\n IF ((dynew.GT.mday(monew)).or.(dynew.LT.1)) THEN\n PRINT*, 'GETH_IDTS: Day of NDATE = ', dynew\n npass = .false.\n END IF\n ELSE IF (monew.eq.2) THEN\n ! ...... For February\n IF ((dynew.GT.nfeb(yrnew)).OR.(dynew.LT.1)) THEN\n PRINT*, 'GETH_IDTS: Day of NDATE = ', dynew\n npass = .false.\n END IF\n END IF\n \n ! Check that the day of ODATE makes sense.\n \n IF (moold.ne.2) THEN\n ! ...... For all months but February\n IF ((dyold.GT.mday(moold)).or.(dyold.LT.1)) THEN\n PRINT*, 'GETH_IDTS: Day of ODATE = ', dyold\n opass = .false.\n END IF\n ELSE IF (moold.eq.2) THEN\n ! ....... For February\n IF ((dyold.GT.nfeb(yrold)).or.(dyold.LT.1)) THEN\n PRINT*, 'GETH_IDTS: Day of ODATE = ', dyold\n opass = .false.\n END IF\n END IF\n \n ! Check that the hour of NDATE makes sense.\n \n IF ((hrnew.GT.23).or.(hrnew.LT.0)) THEN\n PRINT*, 'GETH_IDTS: Hour of NDATE = ', hrnew\n npass = .false.\n END IF\n \n ! Check that the hour of ODATE makes sense.\n \n IF ((hrold.GT.23).or.(hrold.LT.0)) THEN\n PRINT*, 'GETH_IDTS: Hour of ODATE = ', hrold\n opass = .false.\n END IF\n \n ! Check that the minute of NDATE makes sense.\n \n IF ((minew.GT.59).or.(minew.LT.0)) THEN\n PRINT*, 'GETH_IDTS: Minute of NDATE = ', minew\n npass = .false.\n END IF\n \n ! Check that the minute of ODATE makes sense.\n \n IF ((miold.GT.59).or.(miold.LT.0)) THEN\n PRINT*, 'GETH_IDTS: Minute of ODATE = ', miold\n opass = .false.\n END IF\n \n ! Check that the second of NDATE makes sense.\n \n IF ((scnew.GT.59).or.(scnew.LT.0)) THEN\n PRINT*, 'GETH_IDTS: SECOND of NDATE = ', scnew\n npass = .false.\n END IF\n \n ! Check that the second of ODATE makes sense.\n \n IF ((scold.GT.59).or.(scold.LT.0)) THEN\n PRINT*, 'GETH_IDTS: Second of ODATE = ', scold\n opass = .false.\n END IF\n \n IF (.not. npass) THEN\n PRINT*, 'Screwy NDATE: ', ndate\n STOP 'ndate_2'\n END IF\n \n IF (.not. opass) THEN\n PRINT*, 'Screwy ODATE: ', odate\n STOP 'odate_1'\n END IF\n \n ! Date Checks are completed. Continue.\n \n ! Compute number of days from 1 January ODATE, 00:00:00 until ndate\n ! Compute number of hours from 1 January ODATE, 00:00:00 until ndate\n ! Compute number of minutes from 1 January ODATE, 00:00:00 until ndate\n \n newdys = 0\n DO i = yrold, yrnew - 1\n newdys = newdys + (365 + (nfeb(i)-28))\n END DO\n \n IF (monew .GT. 1) THEN\n mday(2) = nfeb(yrnew)\n DO i = 1, monew - 1\n newdys = newdys + mday(i)\n END DO\n mday(2) = 28\n END IF\n \n newdys = newdys + dynew-1\n \n ! Compute number of hours from 1 January ODATE, 00:00:00 until odate\n ! Compute number of minutes from 1 January ODATE, 00:00:00 until odate\n \n olddys = 0\n \n IF (moold .GT. 1) THEN\n mday(2) = nfeb(yrold)\n DO i = 1, moold - 1\n olddys = olddys + mday(i)\n END DO\n mday(2) = 28\n END IF\n \n olddys = olddys + dyold-1\n \n ! Determine the time difference in seconds\n \n idts = (newdys - olddys) * 86400\n idts = idts + (hrnew - hrold) * 3600\n idts = idts + (minew - miold) * 60\n idts = idts + (scnew - scold)\n \n IF (ifac .eq. -1) THEN\n idts = idts * ifac\n END IF\n \n END SUBROUTINE geth_idts\n\n!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!\n\n SUBROUTINE geth_newdate (ndate, odate, idt)\n \n IMPLICIT NONE\n \n ! From old date ('YYYY-MM-DD HH:MM:SS.ffff') and \n ! delta-time, compute the new date.\n \n ! on entry - odate - the old hdate.\n ! idt - the change in time\n \n ! on exit - ndate - the new hdate.\n \n INTEGER , INTENT(IN) :: idt\n CHARACTER (LEN=*) , INTENT(OUT) :: ndate\n CHARACTER (LEN=*) , INTENT(IN) :: odate\n \n \n ! Local Variables\n \n ! yrold - indicates the year associated with \"odate\"\n ! moold - indicates the month associated with \"odate\"\n ! dyold - indicates the day associated with \"odate\"\n ! hrold - indicates the hour associated with \"odate\"\n ! miold - indicates the minute associated with \"odate\"\n ! scold - indicates the second associated with \"odate\"\n \n ! yrnew - indicates the year associated with \"ndate\"\n ! monew - indicates the month associated with \"ndate\"\n ! dynew - indicates the day associated with \"ndate\"\n ! hrnew - indicates the hour associated with \"ndate\"\n ! minew - indicates the minute associated with \"ndate\"\n ! scnew - indicates the second associated with \"ndate\"\n \n ! mday - a list assigning the number of days in each month\n \n ! i - loop counter\n ! nday - the integer number of days represented by \"idt\"\n ! nhour - the integer number of hours in \"idt\" after taking out\n ! all the whole days\n ! nmin - the integer number of minutes in \"idt\" after taking out\n ! all the whole days and whole hours.\n ! nsec - the integer number of minutes in \"idt\" after taking out\n ! all the whole days, whole hours, and whole minutes.\n \n INTEGER :: newlen, olen\n INTEGER :: yrnew, monew, dynew, hrnew, minew, scnew, frnew\n INTEGER :: yrold, moold, dyold, hrold, miold, scold, frold\n INTEGER :: mday(12), nday, nhour, nmin, nsec, nfrac, i, ifrc\n LOGICAL :: opass\n CHARACTER (LEN=10) :: hfrc\n CHARACTER (LEN=1) :: sp\n ! INTEGER, EXTERNAL :: nfeb ! in the same module now\n \n ! Assign the number of days in a months\n \n mday( 1) = 31\n mday( 2) = 28\n mday( 3) = 31\n mday( 4) = 30\n mday( 5) = 31\n mday( 6) = 30\n mday( 7) = 31\n mday( 8) = 31\n mday( 9) = 30\n mday(10) = 31\n mday(11) = 30\n mday(12) = 31\n \n ! Break down old hdate into parts\n \n hrold = 0\n miold = 0\n scold = 0\n frold = 0\n olen = LEN(odate)\n IF (olen.GE.11) THEN\n sp = odate(11:11)\n else\n sp = ' '\n END IF\n \n ! Use internal READ statements to convert the CHARACTER string\n ! date into INTEGER components.\n \n READ(odate(1:4), '(I4)') yrold\n READ(odate(6:7), '(I2)') moold\n READ(odate(9:10), '(I2)') dyold\n IF (olen.GE.13) THEN\n READ(odate(12:13),'(I2)') hrold\n IF (olen.GE.16) THEN\n READ(odate(15:16),'(I2)') miold\n IF (olen.GE.19) THEN\n READ(odate(18:19),'(I2)') scold\n IF (olen.GT.20) THEN\n READ(odate(21:olen),'(I2)') frold\n END IF\n END IF\n END IF\n END IF\n \n ! Set the number of days in February for that year.\n \n mday(2) = nfeb(yrold)\n \n ! Check that ODATE makes sense.\n \n opass = .TRUE.\n \n ! Check that the month of ODATE makes sense.\n \n IF ((moold.GT.12).or.(moold.LT.1)) THEN\n WRITE(*,*) 'GETH_NEWDATE: Month of ODATE = ', moold\n opass = .FALSE.\n END IF\n \n ! Check that the day of ODATE makes sense.\n \n IF ((dyold.GT.mday(moold)).or.(dyold.LT.1)) THEN\n WRITE(*,*) 'GETH_NEWDATE: Day of ODATE = ', dyold\n opass = .FALSE.\n END IF\n \n ! Check that the hour of ODATE makes sense.\n \n IF ((hrold.GT.23).or.(hrold.LT.0)) THEN\n WRITE(*,*) 'GETH_NEWDATE: Hour of ODATE = ', hrold\n opass = .FALSE.\n END IF\n \n ! Check that the minute of ODATE makes sense.\n \n IF ((miold.GT.59).or.(miold.LT.0)) THEN\n WRITE(*,*) 'GETH_NEWDATE: Minute of ODATE = ', miold\n opass = .FALSE.\n END IF\n \n ! Check that the second of ODATE makes sense.\n \n IF ((scold.GT.59).or.(scold.LT.0)) THEN\n WRITE(*,*) 'GETH_NEWDATE: Second of ODATE = ', scold\n opass = .FALSE.\n END IF\n \n ! Check that the fractional part of ODATE makes sense.\n \n \n IF (.not.opass) THEN\n WRITE(*,*) 'GETH_NEWDATE: Crazy ODATE: ', odate(1:olen), olen\n STOP 'odate_3'\n END IF\n \n ! Date Checks are completed. Continue.\n \n \n ! Compute the number of days, hours, minutes, and seconds in idt\n \n IF ( (olen.GT.20) .AND. (olen/=24) ) THEN !idt should be in fractions of seconds\n ifrc = olen-20\n ifrc = 10**ifrc\n nday = ABS(idt)/(86400*ifrc)\n nhour = MOD(ABS(idt),86400*ifrc)/(3600*ifrc)\n nmin = MOD(ABS(idt),3600*ifrc)/(60*ifrc)\n nsec = MOD(ABS(idt),60*ifrc)/(ifrc)\n nfrac = MOD(ABS(idt), ifrc)\n ELSE IF ( (olen.eq.19) .OR. (olen.eq.24) ) THEN !idt should be in seconds\n ifrc = 1\n nday = ABS(idt)/86400 ! Integer number of days in delta-time\n nhour = MOD(ABS(idt),86400)/3600\n nmin = MOD(ABS(idt),3600)/60\n nsec = MOD(ABS(idt),60)\n nfrac = 0\n ELSE IF (olen.eq.16) THEN !idt should be in minutes\n ifrc = 1\n nday = ABS(idt)/1440 ! Integer number of days in delta-time\n nhour = MOD(ABS(idt),1440)/60\n nmin = MOD(ABS(idt),60)\n nsec = 0\n nfrac = 0\n ELSE IF (olen.eq.13) THEN !idt should be in hours\n ifrc = 1\n nday = ABS(idt)/24 ! Integer number of days in delta-time\n nhour = MOD(ABS(idt),24)\n nmin = 0\n nsec = 0\n nfrac = 0\n ELSE IF (olen.eq.10) THEN !idt should be in days\n ifrc = 1\n nday = ABS(idt)/24 ! Integer number of days in delta-time\n nhour = 0\n nmin = 0\n nsec = 0\n nfrac = 0\n ELSE\n WRITE(*,'(''GETH_NEWDATE: Strange length for ODATE: '', i3)') &\n olen\n WRITE(*,*) odate(1:olen)\n STOP 'odate_4'\n END IF\n \n IF (idt.GE.0) THEN\n \n frnew = frold + nfrac\n IF (frnew.GE.ifrc) THEN\n frnew = frnew - ifrc\n nsec = nsec + 1\n END IF\n \n scnew = scold + nsec\n IF (scnew .GE. 60) THEN\n scnew = scnew - 60\n nmin = nmin + 1\n END IF\n \n minew = miold + nmin\n IF (minew .GE. 60) THEN\n minew = minew - 60\n nhour = nhour + 1\n END IF\n \n hrnew = hrold + nhour\n IF (hrnew .GE. 24) THEN\n hrnew = hrnew - 24\n nday = nday + 1\n END IF\n \n dynew = dyold\n monew = moold\n yrnew = yrold\n DO i = 1, nday\n dynew = dynew + 1\n IF (dynew.GT.mday(monew)) THEN\n dynew = dynew - mday(monew)\n monew = monew + 1\n IF (monew .GT. 12) THEN\n monew = 1\n yrnew = yrnew + 1\n ! If the year changes, recompute the number of days in February\n mday(2) = nfeb(yrnew)\n END IF\n END IF\n END DO\n \n ELSE IF (idt.LT.0) THEN\n \n frnew = frold - nfrac\n IF (frnew .LT. 0) THEN\n frnew = frnew + ifrc\n nsec = nsec - 1\n END IF\n \n scnew = scold - nsec\n IF (scnew .LT. 00) THEN\n scnew = scnew + 60\n nmin = nmin + 1\n END IF\n \n minew = miold - nmin\n IF (minew .LT. 00) THEN\n minew = minew + 60\n nhour = nhour + 1\n END IF\n \n hrnew = hrold - nhour\n IF (hrnew .LT. 00) THEN\n hrnew = hrnew + 24\n nday = nday + 1\n END IF\n \n dynew = dyold\n monew = moold\n yrnew = yrold\n DO i = 1, nday\n dynew = dynew - 1\n IF (dynew.eq.0) THEN\n monew = monew - 1\n IF (monew.eq.0) THEN\n monew = 12\n yrnew = yrnew - 1\n ! If the year changes, recompute the number of days in February\n mday(2) = nfeb(yrnew)\n END IF\n dynew = mday(monew)\n END IF\n END DO\n END IF\n \n ! Now construct the new mdate\n \n newlen = LEN(ndate)\n \n IF (newlen.GT.20) THEN\n WRITE(ndate(1:19),19) yrnew, monew, dynew, hrnew, minew, scnew\n WRITE(hfrc,'(I10)') frnew+1000000000\n ndate = ndate(1:19)//'.'//hfrc(31-newlen:10)\n \n ELSE IF (newlen.eq.19.or.newlen.eq.20) THEN\n WRITE(ndate(1:19),19) yrnew, monew, dynew, hrnew, minew, scnew\n 19 format(I4,'-',I2.2,'-',I2.2,'_',I2.2,':',I2.2,':',I2.2)\n IF (newlen.eq.20) ndate = ndate(1:19)//'.'\n \n ELSE IF (newlen.eq.16) THEN\n WRITE(ndate,16) yrnew, monew, dynew, hrnew, minew\n 16 format(I4,'-',I2.2,'-',I2.2,'_',I2.2,':',I2.2)\n \n ELSE IF (newlen.eq.13) THEN\n WRITE(ndate,13) yrnew, monew, dynew, hrnew\n 13 format(I4,'-',I2.2,'-',I2.2,'_',I2.2)\n \n ELSE IF (newlen.eq.10) THEN\n WRITE(ndate,10) yrnew, monew, dynew\n 10 format(I4,'-',I2.2,'-',I2.2)\n \n END IF\n \n IF (olen.GE.11) ndate(11:11) = sp\n \n END SUBROUTINE geth_newdate\n\n!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!\n\n FUNCTION nfeb ( year ) RESULT (num_days)\n \n ! Compute the number of days in February for the given year\n \n IMPLICIT NONE\n \n INTEGER :: year\n INTEGER :: num_days\n \n num_days = 28 ! By default, February has 28 days ...\n IF (MOD(year,4).eq.0) THEN \n num_days = 29 ! But every four years, it has 29 days ...\n IF (MOD(year,100).eq.0) THEN\n num_days = 28 ! Except every 100 years, when it has 28 days ...\n IF (MOD(year,400).eq.0) THEN\n num_days = 29 ! Except every 400 years, when it has 29 days.\n END IF\n END IF\n END IF\n \n END FUNCTION nfeb\n\n!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!\n SUBROUTINE split_date_char ( date , century_year , month , day , hour , minute , second )\n \n IMPLICIT NONE\n \n ! Input data.\n \n CHARACTER(LEN=19) , INTENT(IN) :: date \n \n ! Output data.\n \n INTEGER , INTENT(OUT) :: century_year , month , day , hour , minute , second\n \n READ(date,FMT='( I4.4)') century_year\n READ(date,FMT='( 5X,I2.2)') month\n READ(date,FMT='( 8X,I2.2)') day\n READ(date,FMT='(11X,I2.2)') hour\n READ(date,FMT='(14X,I2.2)') minute\n READ(date,FMT='(17X,I2.2)') second\n \n END SUBROUTINE split_date_char\n \nEND MODULE date_pack\n" }, { "path": "PREP/mcip/src/date_time_mod.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nMODULE date_time\n\n!-------------------------------------------------------------------------------\n! Name: Date and Time\n! Purpose: Contains date and time in I/O API convention.\n! Revised: 09 Jan 2002 Original version. (T. Otte)\n! 09 Apr 2007 Added IMPLICIT NONE. (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n!-------------------------------------------------------------------------------\n\n IMPLICIT NONE\n\n INTEGER :: sdate ! YYYYDDD\n INTEGER :: stime ! HHMISS\n\nEND MODULE date_time\n" }, { "path": "PREP/mcip/src/dealloc_ctm.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nSUBROUTINE dealloc_ctm\n\n!-------------------------------------------------------------------------------\n! Name: Deallocate Arrays for CTM Dimensions\n! Purpose: Deallocate arrays based on CTM grid.\n! Revised: 14 Sep 2001 Original version. (T. Otte)\n! 27 Feb 2002 Renamed SURF2 as WIND10. Removed RIB. (T. Otte)\n! 18 Mar 2003 Removed JDRATE. (T. Otte)\n! 09 Jun 2003 Added SNOCOV to METCRO2D. (D. Schwede)\n! Removed extraneous variables from output. (T. Otte)\n! 09 Aug 2004 Added JACOBS, WSPD10, WDIR10, SOIM1, SOIM2, SOIT1,\n! SOIT2, SLTYP, JACOBF, QG, TEMP2, and LAI. Restored\n! GRIDBDY2D file to output. Modified code so that arrays\n! are made available in output only if user options in\n! MM5 generate those data. (T. Otte and D. Schwede)\n! 01 Dec 2004 Added PURB. (T. Otte)\n! 25 Feb 2005 Eliminated GRIDCRO3D for hydrostatic runs. (T. Otte)\n! 19 Aug 2005 Moved VD_C from a pointer to MC2 to an individual\n! array that is deallocated in DEALLOC_DEPV. (T. Otte)\n! 14 Jul 2006 Added new output fields LWMASK. (T. Otte)\n! 25 Jul 2007 Removed 1.5-m and 10-m temperature arrays. Use 2-m\n! temperature regardless of whether or not it is in\n! input meteorology. Added VEG to output, made LAI a\n! general output variable, and added WR to output to\n! support inline dry deposition velocity calculations\n! in CCTM. Added fractional land use. Removed RBNDYI\n! and JACOBS. (T. Otte)\n! 21 Apr 2008 Added 2-m mixing ratio (Q2_C) and turbulent kinetic\n! energy (TKE_C and TKE_B) arrays. (T. Otte)\n! 23 Sep 2009 Added potential vorticity (PVC_C and PVC_B). Added\n! latitude, longitude, and map-scale factors squared\n! on U and V faces to GRIDDOT2D. Remove vertical\n! velocity (predicted by the meteorological model; WWIND)\n! from output by default; retain user option to output\n! 3D field. Add user option to output u- and v-\n! component winds (UWINDC and VWINDC) on C-staggered\n! grid. (T. Otte)\n! 14 Dec 2010 Added sea ice. (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n! 10 Apr 2015 Added new arrays CFRAC3D_C and CFRAC3D_B to pass 3D\n! resolved cloud fraction to output. (T. Spero)\n! 20 Aug 2015 Changed latent heat flux from QFX to LH. (T. Spero)\n! 16 Mar 2018 Added SNOWH to output. Added mosaic, land use, and\n! soil arrays. (T. Spero)\n! 27 Jun 2018 Consolidated output arrays into a single module\n! CTMVARS. Deallocate data structures. (T. Spero)\n! 14 Sep 2018 Removed support for MM5v3 input. (T. Spero)\n! 13 Dec 2018 Updated to use new data structures. (T. Spero)\n! 18 Jun 2019 Added new surface variables with PX LSM that can\n! improve dust simulation in CCTM. Added optional\n! variables from KF convective scheme with radiative\n! feedbacks. (T. Spero)\n!-------------------------------------------------------------------------------\n\n USE coord\n USE vgrd\n USE ctmvars\n USE mcipparm\n\n IMPLICIT NONE\n\n INTEGER :: nn\n\n!-------------------------------------------------------------------------------\n! Deallocate grid arrays for COORD.\n!-------------------------------------------------------------------------------\n\n DEALLOCATE ( vglvs_gd )\n DEALLOCATE ( x3face_gd )\n\n!-------------------------------------------------------------------------------\n! Deallocate grid arrays for VGRD.\n!-------------------------------------------------------------------------------\n\n DEALLOCATE ( x3face )\n DEALLOCATE ( x3midl )\n\n!-------------------------------------------------------------------------------\n! Release memory for time-independent 2d fields at cell centers.\n!-------------------------------------------------------------------------------\n\n NULLIFY ( g_lat )\n NULLIFY ( g_lon )\n NULLIFY ( g_msfx2 )\n NULLIFY ( g_ht )\n NULLIFY ( g_dluse )\n NULLIFY ( g_lwmask )\n IF ( ASSOCIATED ( g_purb ) ) NULLIFY ( g_purb )\n \n DO nn = 1, nfld2dxy\n DEALLOCATE ( fld2dxy(nn)%fld )\n DEALLOCATE ( fld2dxy(nn)%bdy )\n ENDDO\n\n!-------------------------------------------------------------------------------\n! Release memory for time-independent 2d fields at cell corners and faces.\n!-------------------------------------------------------------------------------\n\n NULLIFY ( g_latd )\n NULLIFY ( g_lond ) \n NULLIFY ( g_msfv2 )\n NULLIFY ( g_latu )\n NULLIFY ( g_lonu ) \n NULLIFY ( g_msfv2 )\n NULLIFY ( g_latv )\n NULLIFY ( g_lonv ) \n NULLIFY ( g_msfv2 )\n\n DO nn = 1, nfld2dxy_d\n DEALLOCATE ( fld2dxy_d(nn)%fld )\n ENDDO\n\n!-------------------------------------------------------------------------------\n! Release memory for time-independent 3d fields (frac land use) at cell centers.\n!-------------------------------------------------------------------------------\n\n IF ( ASSOCIATED ( g_lufrac ) ) NULLIFY ( g_lufrac )\n\n IF ( ALLOCATED ( fld3dxyl ) ) THEN\n DO nn = 1, nfld3dxyl\n DEALLOCATE ( fld3dxyl(nn)%fld )\n ENDDO\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Release memory for time-varying 2d fields at cell centers.\n!-------------------------------------------------------------------------------\n\n NULLIFY ( c_prsfc )\n NULLIFY ( c_ustar )\n NULLIFY ( c_wstar )\n NULLIFY ( c_pbl )\n NULLIFY ( c_zruf )\n NULLIFY ( c_moli )\n NULLIFY ( c_hfx )\n NULLIFY ( c_lh )\n NULLIFY ( c_radyni )\n NULLIFY ( c_rstomi )\n NULLIFY ( c_tempg )\n NULLIFY ( c_temp2 )\n NULLIFY ( c_q2 )\n NULLIFY ( c_wspd10 )\n NULLIFY ( c_wdir10 )\n NULLIFY ( c_glw )\n NULLIFY ( c_gsw )\n NULLIFY ( c_rgrnd )\n NULLIFY ( c_rn )\n NULLIFY ( c_rc )\n NULLIFY ( c_cfrac )\n NULLIFY ( c_cldt )\n NULLIFY ( c_cldb )\n NULLIFY ( c_wbar )\n NULLIFY ( c_snocov )\n NULLIFY ( c_veg )\n NULLIFY ( c_lai )\n NULLIFY ( c_seaice )\n NULLIFY ( c_snowh )\n IF ( ASSOCIATED ( c_wr ) ) NULLIFY ( c_wr )\n IF ( ASSOCIATED ( c_soim1 ) ) NULLIFY ( c_soim1 )\n IF ( ASSOCIATED ( c_soim2 ) ) NULLIFY ( c_soim2 )\n IF ( ASSOCIATED ( c_soit1 ) ) NULLIFY ( c_soit1 )\n IF ( ASSOCIATED ( c_soit2 ) ) NULLIFY ( c_soit2 )\n IF ( ASSOCIATED ( c_sltyp ) ) NULLIFY ( c_sltyp )\n IF ( ASSOCIATED ( c_wsat_px ) ) NULLIFY ( c_wsat_px )\n IF ( ASSOCIATED ( c_wfc_px ) ) NULLIFY ( c_wfc_px )\n IF ( ASSOCIATED ( c_wwlt_px ) ) NULLIFY ( c_wwlt_px )\n IF ( ASSOCIATED ( c_csand_px ) ) NULLIFY ( c_csand_px )\n IF ( ASSOCIATED ( c_fmsand_px ) ) NULLIFY ( c_fmsand_px )\n IF ( ASSOCIATED ( c_clay_px ) ) NULLIFY ( c_clay_px )\n\n DO nn = 1, nfld2dxyt\n DEALLOCATE ( fld2dxyt(nn)%fld )\n ENDDO\n\n!-------------------------------------------------------------------------------\n! Release memory for time-varying 3d fields at cell centers.\n!-------------------------------------------------------------------------------\n\n NULLIFY ( c_jacobf )\n NULLIFY ( c_jacobm )\n NULLIFY ( c_densa_j )\n NULLIFY ( c_what_jd )\n NULLIFY ( c_ta )\n NULLIFY ( c_qv )\n NULLIFY ( c_pres )\n NULLIFY ( c_dens )\n NULLIFY ( c_zh )\n NULLIFY ( c_zf )\n IF ( ASSOCIATED ( c_tke ) ) NULLIFY ( c_tke )\n IF ( ASSOCIATED ( c_pv ) ) NULLIFY ( c_pv )\n IF ( ASSOCIATED ( c_wwind ) ) NULLIFY ( c_wwind )\n IF ( ASSOCIATED ( c_cfrac_3d ) ) NULLIFY ( c_cfrac_3d )\n\n DO nn = 1, nfld3dxyzt\n DEALLOCATE ( fld3dxyzt(nn)%fld )\n DEALLOCATE ( fld3dxyzt(nn)%bdy )\n ENDDO\n\n IF ( nfld3dxyzt_q > 0 ) THEN\n\n IF ( ASSOCIATED ( c_qc ) ) NULLIFY ( c_qc )\n IF ( ASSOCIATED ( c_qr ) ) NULLIFY ( c_qr )\n IF ( ASSOCIATED ( c_qi ) ) NULLIFY ( c_qi )\n IF ( ASSOCIATED ( c_qs ) ) NULLIFY ( c_qs )\n IF ( ASSOCIATED ( c_qg ) ) NULLIFY ( c_qg )\n IF ( ASSOCIATED ( c_qc_cu ) ) NULLIFY ( c_qc_cu )\n IF ( ASSOCIATED ( c_qi_cu ) ) NULLIFY ( c_qi_cu )\n IF ( ASSOCIATED ( c_cldfra_dp ) ) NULLIFY ( c_cldfra_dp )\n IF ( ASSOCIATED ( c_cldfra_sh ) ) NULLIFY ( c_cldfra_sh )\n\n DO nn = 1, nfld3dxyzt_q\n DEALLOCATE ( fld3dxyzt_q(nn)%fld )\n DEALLOCATE ( fld3dxyzt_q(nn)%bdy )\n ENDDO\n\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Release memory for time-varying 3d fields at cell corners and cell faces.\n!-------------------------------------------------------------------------------\n\n NULLIFY ( c_uwind )\n NULLIFY ( c_vwind )\n NULLIFY ( c_uhat_jd )\n NULLIFY ( c_vhat_jd )\n IF ( ASSOCIATED ( c_uwindc ) ) NULLIFY ( c_uwindc )\n IF ( ASSOCIATED ( c_vwindc ) ) NULLIFY ( c_vwindc )\n\n DO nn = 1, nfld3dxyzt_d\n DEALLOCATE ( fld3dxyzt_d(nn)%fld )\n ENDDO\n\n!-------------------------------------------------------------------------------\n! Release memory for time-varying 3d fields (soil layers) at cell centers.\n!-------------------------------------------------------------------------------\n\n IF ( nfld3dxyst > 0 ) THEN\n\n NULLIFY ( c_soit3d )\n NULLIFY ( c_soim3d )\n\n DO nn = 1, nfld3dxyst\n DEALLOCATE ( fld3dxyst(nn)%fld )\n ENDDO\n\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Release memory for time-varying 3d fields (mosaic land use categories) at cell\n! centers.\n!-------------------------------------------------------------------------------\n\n IF ( nfld3dxymt > 0 ) THEN\n\n NULLIFY ( c_lufrac2 )\n NULLIFY ( c_moscat )\n NULLIFY ( c_lai_mos )\n NULLIFY ( c_rai_mos )\n NULLIFY ( c_rsi_mos )\n NULLIFY ( c_tsk_mos )\n NULLIFY ( c_znt_mos )\n\n DO nn = 1, nfld3dxymt\n DEALLOCATE ( fld3dxymt(nn)%fld )\n ENDDO\n\n ENDIF\n\nEND SUBROUTINE dealloc_ctm\n" }, { "path": "PREP/mcip/src/dealloc_met.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nSUBROUTINE dealloc_met\n\n!-------------------------------------------------------------------------------\n! Name: Deallocate Meteorology Variables\n! Purpose: Deallocate arrays for input meteorology variables.\n! Revised: 10 Sep 2001 Original version. (T. Otte)\n! 29 May 2003 Added SNOWCOVR. (D. Schwede)\n! 09 Aug 2004 Added QGA, VEGOLD, and T2. (D. Schwede and T. Otte)\n! 29 Nov 2004 Added LUFRAC. (T. Otte)\n! 04 Apr 2005 Removed unused variables REGIME and MAVAIL. Added PH,\n! PHB, PB, MU, and MUB for WRF. Added U10 and V10.\n! (T. Otte and S.-B. Kim)\n! 11 Aug 2005 Removed unused variable FSOIL. (T. Otte)\n! 25 Jul 2007 Removed internal variables for emissivity and net\n! radiation. Eliminated logical variable \"PX\" to make\n! code more general. (T. Otte)\n! 05 May 2008 Added 2-m mixing ratio (Q2) and turbulent kinetic\n! energy (TKE) arrays. Added urban fraction (FRC_URB)\n! and urban roughness length (Z0C_URB2D) for\n! MET_UCMCALL=1. (T. Otte)\n! 29 Sep 2009 Added THETA and CORIOLIS for when potential vorticity\n! is needed. Added LATU, LONU, MAPU, LATV, LONV, and\n! MAPV. Removed Z0C_URB2D. (T. Otte)\n! 15 Dec 2010 Added sea ice. Added tipping buckets for convective\n! and non-convective precipitation. (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n! 11 Sep 2012 Added LANDMASK to be read from WRF. (T. Otte)\n! 10 Apr 2015 Added new array CLDFRA to pass 3D resolved cloud\n! fraction to output. (T. Spero)\n! 21 Aug 2015 Changed latent heat flux from QFX to LH. Added\n! moisture flux (QFX). (T. Spero)\n! 16 Mar 2018 Added SNOWH to output. Added C1H, C2H, C1F, and C2F to\n! support hybrid vertical coordinate in WRF. Added\n! LUFRAC2, MOSCATIDX, ZNT_MOS, TSK_MOS, RA_MOS, RS_MOS,\n! and LAI_MOS for NOAH Mosaic land-surface model.\n! Added DZS, SOIT3D, and SOIM3D. Added WSPDSFC and\n! XLAIDYN for Noah. (T. Spero)\n! 14 Sep 2018 Removed support for MM5v3 input. (T. Spero)\n! 18 Jun 2019 Added new surface variables with PX LSM that can\n! improve dust simulation in CCTM. Added optional\n! variables from KF convective scheme with radiative\n! feedbacks. (T. Spero)\n!-------------------------------------------------------------------------------\n\n USE metinfo\n USE metvars\n USE mcipparm\n\n IMPLICIT NONE\n\n!-------------------------------------------------------------------------------\n! Deallocate time-invariant fields.\n!-------------------------------------------------------------------------------\n\n DEALLOCATE ( albedo ) ! <--- time-variant with Pleim-Xiu and NOAH LSMs\n DEALLOCATE ( landmask ) ! <--- time-variant with NOAH LSM\n DEALLOCATE ( landuse )\n DEALLOCATE ( latcrs )\n DEALLOCATE ( latdot )\n DEALLOCATE ( latu )\n DEALLOCATE ( latv )\n DEALLOCATE ( loncrs )\n DEALLOCATE ( londot )\n DEALLOCATE ( lonu )\n DEALLOCATE ( lonv )\n DEALLOCATE ( mapcrs )\n DEALLOCATE ( mapdot )\n DEALLOCATE ( sigmaf )\n DEALLOCATE ( sigmah )\n DEALLOCATE ( terrain )\n DEALLOCATE ( znt )\n\n IF ( ALLOCATED ( lufrac ) ) DEALLOCATE ( lufrac )\n IF ( ALLOCATED ( lufrac2 ) ) DEALLOCATE ( lufrac2 )\n IF ( ALLOCATED ( moscatidx ) ) DEALLOCATE ( moscatidx )\n IF ( ALLOCATED ( coriolis ) ) DEALLOCATE ( coriolis )\n\n IF ( ALLOCATED ( c1f ) ) DEALLOCATE ( c1f )\n IF ( ALLOCATED ( c1h ) ) DEALLOCATE ( c1h )\n IF ( ALLOCATED ( c2f ) ) DEALLOCATE ( c2f )\n IF ( ALLOCATED ( c2h ) ) DEALLOCATE ( c2h )\n\n IF ( ALLOCATED ( dzs ) ) DEALLOCATE ( dzs )\n\n!-------------------------------------------------------------------------------\n! Deallocate time-variant fields.\n!-------------------------------------------------------------------------------\n\n DEALLOCATE ( glw )\n DEALLOCATE ( groundt )\n DEALLOCATE ( hfx )\n DEALLOCATE ( i_rainc )\n DEALLOCATE ( i_rainnc)\n DEALLOCATE ( ircold )\n DEALLOCATE ( irnold )\n DEALLOCATE ( lh )\n DEALLOCATE ( pp )\n DEALLOCATE ( psa )\n DEALLOCATE ( qca )\n DEALLOCATE ( qga )\n DEALLOCATE ( qia )\n DEALLOCATE ( qra )\n DEALLOCATE ( qsa )\n DEALLOCATE ( qva )\n DEALLOCATE ( raincon )\n DEALLOCATE ( rainnon )\n DEALLOCATE ( rcold )\n DEALLOCATE ( rgrnd )\n DEALLOCATE ( rnold )\n DEALLOCATE ( seaice )\n DEALLOCATE ( snowcovr)\n DEALLOCATE ( snowh )\n DEALLOCATE ( ta )\n DEALLOCATE ( ua )\n DEALLOCATE ( ust )\n DEALLOCATE ( va )\n DEALLOCATE ( wa )\n DEALLOCATE ( zpbl )\n\n IF ( ALLOCATED ( t2 ) ) DEALLOCATE ( t2 )\n IF ( ALLOCATED ( q2 ) ) DEALLOCATE ( q2 )\n IF ( ALLOCATED ( u10 ) ) DEALLOCATE ( u10 )\n IF ( ALLOCATED ( v10 ) ) DEALLOCATE ( v10 )\n IF ( ALLOCATED ( qfx ) ) DEALLOCATE ( qfx )\n\n IF ( met_model == 2 ) THEN ! WRF\n DEALLOCATE ( mu )\n DEALLOCATE ( mub )\n DEALLOCATE ( pb )\n DEALLOCATE ( ph )\n DEALLOCATE ( phb )\n ENDIF\n\n IF ( ALLOCATED ( isltyp ) ) DEALLOCATE ( isltyp )\n IF ( ALLOCATED ( lai ) ) DEALLOCATE ( lai )\n IF ( ALLOCATED ( mol ) ) DEALLOCATE ( mol )\n IF ( ALLOCATED ( ra ) ) DEALLOCATE ( ra )\n IF ( ALLOCATED ( rstom ) ) DEALLOCATE ( rstom )\n IF ( ALLOCATED ( soilt1 ) ) DEALLOCATE ( soilt1 )\n IF ( ALLOCATED ( soilt2 ) ) DEALLOCATE ( soilt2 )\n IF ( ALLOCATED ( soim3d ) ) DEALLOCATE ( soim3d )\n IF ( ALLOCATED ( soit3d ) ) DEALLOCATE ( soit3d )\n IF ( ALLOCATED ( veg ) ) DEALLOCATE ( veg )\n IF ( ALLOCATED ( w2 ) ) DEALLOCATE ( w2 )\n IF ( ALLOCATED ( wg ) ) DEALLOCATE ( wg )\n IF ( ALLOCATED ( wr ) ) DEALLOCATE ( wr )\n\n IF ( ALLOCATED ( tke ) ) DEALLOCATE ( tke )\n\n IF ( ALLOCATED ( theta ) ) DEALLOCATE ( theta )\n\n IF ( ALLOCATED ( frc_urb ) ) DEALLOCATE ( frc_urb )\n\n IF ( ALLOCATED ( cldfra ) ) DEALLOCATE ( cldfra )\n\n IF ( ALLOCATED ( lai_mos ) ) DEALLOCATE ( lai_mos )\n IF ( ALLOCATED ( ra_mos ) ) DEALLOCATE ( ra_mos )\n IF ( ALLOCATED ( rs_mos ) ) DEALLOCATE ( rs_mos )\n IF ( ALLOCATED ( tsk_mos ) ) DEALLOCATE ( tsk_mos )\n IF ( ALLOCATED ( znt_mos ) ) DEALLOCATE ( znt_mos )\n\n IF ( ALLOCATED ( wspdsfc ) ) DEALLOCATE ( wspdsfc )\n IF ( ALLOCATED ( xlaidyn ) ) DEALLOCATE ( xlaidyn )\n\n IF ( ALLOCATED ( lai_px ) ) DEALLOCATE ( lai_px )\n IF ( ALLOCATED ( wsat_px ) ) DEALLOCATE ( wsat_px )\n IF ( ALLOCATED ( wwlt_px ) ) DEALLOCATE ( wwlt_px )\n IF ( ALLOCATED ( wfc_px ) ) DEALLOCATE ( wfc_px )\n IF ( ALLOCATED ( csand_px ) ) DEALLOCATE ( csand_px )\n IF ( ALLOCATED ( fmsand_px ) ) DEALLOCATE ( fmsand_px )\n IF ( ALLOCATED ( clay_px ) ) DEALLOCATE ( clay_px )\n\n IF ( ALLOCATED ( qc_cu ) ) DEALLOCATE ( qc_cu )\n IF ( ALLOCATED ( qi_cu ) ) DEALLOCATE ( qi_cu )\n IF ( ALLOCATED ( cldfra_dp ) ) DEALLOCATE ( cldfra_dp )\n IF ( ALLOCATED ( cldfra_sh ) ) DEALLOCATE ( cldfra_sh )\n\nEND SUBROUTINE dealloc_met\n" }, { "path": "PREP/mcip/src/dealloc_x.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nSUBROUTINE dealloc_x\n\n!-------------------------------------------------------------------------------\n! Name: Deallocate X Arrays\n! Purpose: Deallocate X arrays with MCIP transfer array dimensions.\n! Revised: 19 Sep 2001 Original version. (T. Otte)\n! 27 Feb 2002 Renamed XSURF1 as XTEMP1P5 and XSURF2 as XWIND10.\n! (T. Otte)\n! 18 Mar 2003 Removed XJDRATE. (T. Otte)\n! 29 May 2003 Added XF2DEF, XSNOCOV, XDELTA, XLSTWET, and XRH.\n! (D. Schwede, T. Otte, and J. Pleim)\n! 10 Aug 2004 Added XQGRAUP, XWSPD10, XWDIR10, and XT2. Removed\n! XFLAGS, XINDEX, XNAMES, and XLUSNAME. Moved remaining\n! contents of NULL_X to this routine to simplify code.\n! (T. Otte and D. Schwede)\n! 01 Dec 2004 Added XPURB. (T. Otte)\n! 04 Apr 2005 Removed unused variables XREGIME, XRTOLD, XPRSOLD, and\n! XDENSAM_REF. Moved XDFLUX and XPSRATE as local\n! variables in VERTHYD. Added XMU and XGEOF for WRF.\n! Changed XUU and XVV to XUU_D and XVV_D, and changed\n! XUHAT and XVHAT to XUU_S and XVV_T. Added pointer\n! indices for optional chlorine and mercury species.\n! Removed XENTRP. Added XU10 and XV10. (T. Otte)\n! 19 Aug 2005 Removed XDEPIDX and pointers to XDEPIDX. Moved\n! XDEPSPC and XVD to DEALLOC_DEPV. Removed unused\n! variables XCAPG, XMMPASS, and XFSOIL. Removed XRH and\n! made it a local scalar in M3DRY. (T. Otte and\n! W. Hutzell)\n! 14 Jul 2006 Removed XDELTA and XLSTWET to be local variables in\n! M3DRY. Added XLWMASK. (T. Otte)\n! 30 Jul 2007 Removed XCFRACH, XCFRACM, XCFRACL, XRBNDY, XTEMP1P5,\n! and XTEMP10. Create 2-m temperature array even if\n! it is not part of input meteorology. Changed 2-m\n! temperature from XT2 to XTEMP2. Removed internal\n! variables for emissivity and net radiation. Removed\n! XF2DEF and XRSTMIN to be local variables in\n! RESISTCALC. Added XPSTAR0. (T. Otte)\n! 21 Apr 2008 Added 2-m mixing ratio (XQ2) and turbulent kinetic\n! energy (XTKE) arrays. (T. Otte)\n! 17 Sep 2009 Added land-use category description, XLUDESC. Added\n! potential vorticity (XPVC), Coriolis (XCORL), and\n! potential temperature (XTHETA). Removed dependency\n! on module MCIPPARM. Added map-scale factors squared\n! (on cross points, XMAPC2). Added XLATU, XLONU, XMAPU,\n! XLATV, XLONV, and XMAPV. (T. Otte)\n! 14 Dec 2010 Added sea ice. (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n! 10 Apr 2015 Added new array XCFRAC3D to pass 3D resolved cloud\n! fraction to output. (T. Spero)\n! 21 Aug 2015 Changed latent heat flux from QFX to LH. Added\n! moisture flux (QFX). (T. Spero)\n! 16 Mar 2018 Added SNOWH to output. Added XMUHYB to support hybrid\n! vertical coordinate in WRF output. Added XLUFRAC2,\n! XMOSCATIDX, XZNT_MOS, XTSK_MOS, XRA_MOS, XRS_MOS, and\n! XLAI_MOS for NOAH Mosaic land-surface model. Added\n! XZSOIL, and added 3D soil arrays, XSOIT3D and XSOIM3D.\n! Added XWSPDSFC and XXLAIDYN for Noah. (T. Spero)\n! 14 Sep 2018 Removed support for MM5v3 input. (T. Spero)\n! 18 Jun 2019 Added new surface variables with PX LSM that can\n! improve dust simulation in CCTM. Added optional\n! variables from KF convective scheme with radiative\n! feedbacks. (T. Spero)\n!-------------------------------------------------------------------------------\n\n USE xvars\n\n IMPLICIT NONE\n\n!-------------------------------------------------------------------------------\n! Scalars and One-Dimensional Arrays \n!-------------------------------------------------------------------------------\n\n DEALLOCATE ( xx3face )\n DEALLOCATE ( xx3midl )\n DEALLOCATE ( xdx3 )\n\n DEALLOCATE ( xludesc )\n\n IF ( ALLOCATED ( xzsoil ) ) DEALLOCATE ( xzsoil )\n\n!-------------------------------------------------------------------------------\n! Dot-Point and Face 2D Arrays.\n!-------------------------------------------------------------------------------\n\n DEALLOCATE ( xlatd )\n DEALLOCATE ( xlatu )\n DEALLOCATE ( xlatv )\n DEALLOCATE ( xlond )\n DEALLOCATE ( xlonu )\n DEALLOCATE ( xlonv )\n DEALLOCATE ( xmapd )\n DEALLOCATE ( xmapu )\n DEALLOCATE ( xmapv )\n\n!-------------------------------------------------------------------------------\n! Cross-Point 2D Arrays.\n!-------------------------------------------------------------------------------\n\n DEALLOCATE ( xlatc )\n DEALLOCATE ( xlonc )\n DEALLOCATE ( xmapc )\n DEALLOCATE ( xmapc2 )\n DEALLOCATE ( xtopo )\n\n DEALLOCATE ( xprsfc )\n DEALLOCATE ( xdenss )\n DEALLOCATE ( xtempg )\n DEALLOCATE ( xrainn )\n DEALLOCATE ( xrainc )\n DEALLOCATE ( xdluse )\n DEALLOCATE ( xlwmask )\n\n IF ( ALLOCATED ( xpurb ) ) DEALLOCATE ( xpurb )\n IF ( ALLOCATED ( xcorl ) ) DEALLOCATE ( xcorl )\n IF ( ALLOCATED ( xqfx ) ) DEALLOCATE ( xqfx )\n\n DEALLOCATE ( xglw )\n DEALLOCATE ( xgsw )\n DEALLOCATE ( xhfx )\n DEALLOCATE ( xlh )\n DEALLOCATE ( xustar )\n DEALLOCATE ( xpbl )\n DEALLOCATE ( xzruf )\n DEALLOCATE ( xmol )\n DEALLOCATE ( xrgrnd )\n DEALLOCATE ( xwr )\n DEALLOCATE ( xlai )\n DEALLOCATE ( xveg )\n\n DEALLOCATE ( xwstar )\n DEALLOCATE ( xrib )\n DEALLOCATE ( xradyn )\n DEALLOCATE ( xrstom )\n DEALLOCATE ( xtemp2 )\n DEALLOCATE ( xq2 )\n DEALLOCATE ( xwspd10 )\n DEALLOCATE ( xwdir10 )\n DEALLOCATE ( xalbedo )\n DEALLOCATE ( xmavail )\n DEALLOCATE ( xcfract )\n DEALLOCATE ( xcldtop )\n DEALLOCATE ( xcldbot )\n DEALLOCATE ( xwbar )\n DEALLOCATE ( xsnocov )\n DEALLOCATE ( xseaice )\n DEALLOCATE ( xsnowh )\n\n IF ( ALLOCATED ( xmuhyb ) ) DEALLOCATE ( xmuhyb )\n\n IF ( ALLOCATED ( xu10 ) ) DEALLOCATE ( xu10 )\n IF ( ALLOCATED ( xv10 ) ) DEALLOCATE ( xv10 )\n\n IF ( ALLOCATED ( xtga ) ) DEALLOCATE ( xtga )\n IF ( ALLOCATED ( xt2a ) ) DEALLOCATE ( xt2a )\n IF ( ALLOCATED ( xwga ) ) DEALLOCATE ( xwga )\n IF ( ALLOCATED ( xw2a ) ) DEALLOCATE ( xw2a )\n IF ( ALLOCATED ( xsltyp ) ) DEALLOCATE ( xsltyp )\n\n DEALLOCATE ( xluse )\n\n!-------------------------------------------------------------------------------\n! Cross-Point 3D Arrays.\n!-------------------------------------------------------------------------------\n\n DEALLOCATE ( xtempm )\n DEALLOCATE ( xpresm )\n DEALLOCATE ( xdensam )\n DEALLOCATE ( xdenswm )\n DEALLOCATE ( x3jacobf )\n DEALLOCATE ( x3jacobm )\n DEALLOCATE ( x3htf )\n DEALLOCATE ( x3htm )\n DEALLOCATE ( xwhat )\n DEALLOCATE ( xwvapor )\n DEALLOCATE ( xwwind )\n DEALLOCATE ( xcldwtr )\n DEALLOCATE ( xranwtr )\n DEALLOCATE ( xqice )\n DEALLOCATE ( xqsnow )\n DEALLOCATE ( xqgraup )\n\n IF ( ALLOCATED (xtke) ) DEALLOCATE ( xtke )\n IF ( ALLOCATED (xpvc) ) DEALLOCATE ( xpvc )\n IF ( ALLOCATED (xtheta) ) DEALLOCATE ( xtheta )\n IF ( ALLOCATED (xcfrac3d) ) DEALLOCATE ( xcfrac3d )\n IF ( ALLOCATED (xqc_cu) ) DEALLOCATE ( xqc_cu )\n IF ( ALLOCATED (xqi_cu) ) DEALLOCATE ( xqi_cu )\n IF ( ALLOCATED (xcldfrad) ) DEALLOCATE ( xcldfrad )\n IF ( ALLOCATED (xcldfras) ) DEALLOCATE ( xcldfras )\n\n!-------------------------------------------------------------------------------\n! Dot-Point (and Face-Point) 3D Arrays.\n!-------------------------------------------------------------------------------\n\n DEALLOCATE ( xuu_d )\n DEALLOCATE ( xvv_d )\n DEALLOCATE ( xuu_s )\n DEALLOCATE ( xvv_t )\n\n!-------------------------------------------------------------------------------\n! Cross-Point Arrays for Soil.\n!-------------------------------------------------------------------------------\n\n IF ( ALLOCATED ( xsoit3d ) ) DEALLOCATE ( xsoit3d )\n IF ( ALLOCATED ( xsoim3d ) ) DEALLOCATE ( xsoim3d )\n\n!-------------------------------------------------------------------------------\n! Cross-Point Arrays for Mosaic.\n!-------------------------------------------------------------------------------\n\n IF ( ALLOCATED ( xlufrac2 ) ) DEALLOCATE ( xlufrac2 )\n IF ( ALLOCATED ( xmoscatidx ) ) DEALLOCATE ( xmoscatidx )\n IF ( ALLOCATED ( xlai_mos ) ) DEALLOCATE ( xlai_mos )\n IF ( ALLOCATED ( xra_mos ) ) DEALLOCATE ( xra_mos )\n IF ( ALLOCATED ( xrs_mos ) ) DEALLOCATE ( xrs_mos )\n IF ( ALLOCATED ( xtsk_mos ) ) DEALLOCATE ( xtsk_mos )\n IF ( ALLOCATED ( xznt_mos ) ) DEALLOCATE ( xznt_mos )\n IF ( ALLOCATED ( xwspdsfc ) ) DEALLOCATE ( xwspdsfc )\n IF ( ALLOCATED ( xxlaidyn ) ) DEALLOCATE ( xxlaidyn )\n\n!-------------------------------------------------------------------------------\n! Cross-Point Arrays for Pleim-Xiu land surface model with WRFv4.1.\n!-------------------------------------------------------------------------------\n\n IF ( ALLOCATED ( xwsat_px ) ) DEALLOCATE ( xwsat_px )\n IF ( ALLOCATED ( xwfc_px ) ) DEALLOCATE ( xwfc_px )\n IF ( ALLOCATED ( xwwlt_px ) ) DEALLOCATE ( xwwlt_px )\n IF ( ALLOCATED ( xcsand_px ) ) DEALLOCATE ( xcsand_px )\n IF ( ALLOCATED ( xfmsand_px ) ) DEALLOCATE ( xfmsand_px )\n IF ( ALLOCATED ( xclay_px ) ) DEALLOCATE ( xclay_px )\n\n!-------------------------------------------------------------------------------\n! Variables for WRF only.\n!-------------------------------------------------------------------------------\n\n IF ( ALLOCATED ( xmu ) ) DEALLOCATE ( xmu )\n IF ( ALLOCATED ( xgeof ) ) DEALLOCATE ( xgeof )\n\n!-------------------------------------------------------------------------------\n! Internal arrrays.\n!-------------------------------------------------------------------------------\n\n DEALLOCATE ( xdx3htf )\n DEALLOCATE ( xdensaf )\n DEALLOCATE ( xpresf )\n\nEND SUBROUTINE dealloc_x\n" }, { "path": "PREP/mcip/src/detangle_soil_px.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nSUBROUTINE detangle_soil_px\n\n!-------------------------------------------------------------------------------\n! Name: Detangle Soil Categories from Pleim-Xiu Land-Surface Model\n! Purpose: Realign soil categories from Pleim-Xiu land-surface model in WRF\n! so that they are consistent with the WRF documentation and can be\n! handled properly within CMAQ.\n! Notes: WRFv3.7 and all prior versions have soil categories within PXLSM\n! placed in an indexing that is inconsistent with the WRF\n! documentation. See subroutine SOILPROP in WRF's module_sf_pxlsm.\n! Revised: 25 Aug 2015 Original version. (T. Spero)\n!-------------------------------------------------------------------------------\n\n USE metinfo, ONLY: nx => met_nx, ny => met_ny\n USE metvars, ONLY: isltyp\n\n IMPLICIT NONE\n\n INTEGER :: i\n INTEGER :: j\n CHARACTER(LEN=16), PARAMETER :: pname = 'DETANGLE_SOIL_PX'\n\n!-------------------------------------------------------------------------------\n! Error, warning, and informational messages.\n!-------------------------------------------------------------------------------\n\n CHARACTER(LEN=256), PARAMETER :: f9000 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** UNEXPECTED SOIL CATEGORY FROM PXLSM: ', i3, &\n & /, 1x, '*** AT WRF GRID CELL: ', i4, 2x, i4, &\n & /, 1x, 70('*'))\"\n\n!-------------------------------------------------------------------------------\n! Loop over grid cells to align soil type from PXLSM with WRF standard.\n!\n! Categories in PXLSM range from 1-11 plus 14, where categories 1-3 and 14 are\n! consistent with WRF standard, category 4 is a combination of WRF categories\n! 4-5, and categories 5-11 from PXLSM are the same as 6-12 from WRF,\n! respectively. WRF categories 13, 15, and 16 are not part of the PXLSM\n! classification.\n!\n! WRF soil categories:\n! 1 Sand\n! 2 Loamy Sand\n! 3 Sandy Loam\n! 4 Silt Loam\n! 5 Silt\n! 6 Loam\n! 7 Sandy Clay Loam\n! 8 Silty Clay Loam\n! 9 Clay Loam\n! 10 Sandy Clay\n! 11 Silty Clay\n! 12 Clay\n! 13 Organic Material\n! 14 Water\n! 15 Bedrock\n! 16 Other (land-ice)\n!-------------------------------------------------------------------------------\n\n DO i = 1, nx\n DO j = 1, ny\n\n SELECT CASE ( isltyp(i,j) )\n CASE ( 1:4, 14 )\n isltyp(i,j) = isltyp(i,j)\n CASE ( 5:11 )\n isltyp(i,j) = isltyp(i,j) + 1\n CASE DEFAULT\n WRITE (*,f9000) TRIM(pname), isltyp(i,j), i, j\n CALL graceful_stop (pname)\n END SELECT\n ENDDO\n ENDDO\n\nEND SUBROUTINE detangle_soil_px\n" }, { "path": "PREP/mcip/src/dynflds.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nSUBROUTINE dynflds\n\n!-------------------------------------------------------------------------------\n! Name: Dynamic Fields\n! Purpose: Maps and calculates time-variant fields on MCIP X grids.\n! Revised: 12 Sep 2001 Original version. (T. Otte)\n! 09 Jan 2002 Changed calls to \"abort\" to calls to \"m3exit\" for\n! graceful shut-down of I/O API files. (T. Otte)\n! 28 Feb 2005 Allowed new user options for LDDEP = 3 or 4 for dry\n! deposition velocity calculations for additional\n! chlorine and mercury species in M3DRY. Removed call\n! to MET3DSUP since that subroutine was combined into\n! METVARS2CTM. (T. Otte)\n! 27 Feb 2006 Removed unnecessary dependence on module METINFO.\n! (T. Otte)\n! 30 Jun 2006 Added SDATE and STIME to calling argument list\n! for M3DRY. (T. Otte)\n! 24 Jul 2007 Added option to bypass dry deposition velocity\n! calculations in MCIP so that they can be performed\n! in the CCTM, and changed code so that M3Dry with\n! chlorine and mercury is the only option to compute\n! dry deposition velocities in MCIP. Removed obsolescent\n! user-definable run time options for recalculating PBL,\n! cloud, and radiation fields. (T. Otte)\n! 29 Oct 2009 Added optional call to compute potential vorticity.\n! (T. Otte)\n! 12 Feb 2010 Removed unused argument GMT. (T. Otte)\n! 09 Sep 2010 Removed option to compute dry deposition velocities\n! in MCIP. Removed input arguments SDATE and\n! STIME. (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n!-------------------------------------------------------------------------------\n\n USE mcipparm\n\n IMPLICIT NONE\n\n!-------------------------------------------------------------------------------\n! Put input meteorology variables on MCIP (X) grid and calculate required\n! state variables for CTM.\n!-------------------------------------------------------------------------------\n\n CALL metvars2ctm\n\n!-------------------------------------------------------------------------------\n! Calculate supplemental planetary boundary layer fields.\n!-------------------------------------------------------------------------------\n\n CALL pblsup\n\n!-------------------------------------------------------------------------------\n! Calculate cloud fields.\n!-------------------------------------------------------------------------------\n\n CALL bcldprc_ak\n\n!-------------------------------------------------------------------------------\n! Compute potential vorticity.\n!-------------------------------------------------------------------------------\n\n IF ( lpv > 0 ) THEN\n CALL pvs\n ENDIF\n\nEND SUBROUTINE dynflds\n" }, { "path": "PREP/mcip/src/e_aerk.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nFUNCTION e_aerk (tempc)\n\n!-------------------------------------------------------------------------------\n! Name: Saturation Vapor Pressure\n! Purpose: Returns saturation vapor pressure [Pa] as a funtion of temperature\n! in degrees Celsius.\n! Revised: ?? ??? ???? Original version as a statement function in MCIP\n! routines bcldprc_ak.f90 and getpblht.f90.\n! 23 Feb 2011 Converted to independent routine. (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n!-------------------------------------------------------------------------------\n\n USE const\n\n IMPLICIT NONE\n\n REAL :: e_aerk ! saturation vapor pressure [Pa]\n REAL, INTENT(IN) :: tempc ! temperature [deg C]\n\n e_aerk = vp0 * EXP( 17.625 * tempc / ( 243.04 + tempc ) )\n\nEND FUNCTION e_aerk\n" }, { "path": "PREP/mcip/src/files_mod.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nMODULE files\n\n!-------------------------------------------------------------------------------\n! Name: Files\n! Purpose: Contains FORTRAN units and file names.\n! Revised: 10 Sep 2001 Original version. (T. Otte)\n! 03 Oct 2001 Added unit for GRIDDESC file. (T. Otte)\n! 07 Jan 2002 Added explicit file names for input meteorology\n! file, namelist, grid description, and meteorology\n! header. (T. Otte)\n! 09 Jun 2003 Removed GRIDBDY2D, GRIDBDY3D, and METBDY2D from\n! output. (T. Otte)\n! 01 Jul 2004 Restored GRIDBDY2D. Fixed lengths of output file\n! names to be strictly CHARACTER*16. Added flag to\n! create static output (grid) files. (T. Otte)\n! 29 Nov 2004 Added optional input MM5 \"TERRAIN\" file to get\n! fractional land use fields. (T. Otte)\n! 26 May 2005 Removed unused (input) variables GRIDCRO2D, GRIDCRO3D,\n! LANDCRO2D, METCRO2D, METCRO3D, and METDOT3D. Changed\n! names for output files by removing \"_G1\". Added new\n! parameter to define maximum number of input meteorology\n! files, and increased default maximum to 100. (T. Otte)\n! 09 Apr 2007 Added IMPLICIT NONE. (T. Otte)\n! 02 May 2008 Increased MAX_MM to 300 to accommodate 5-minute output\n! for one day. (T. Otte)\n! 30 Aug 2011 Changed name of routine from FILE to FILES to avoid\n! conflict with F90 protected intrinsic names. Changed\n! F77 character declarations to F90 standard. (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n! 31 May 2012 Increased MAX_MM from 300 to 367 to allow for a full\n! year to be run (including leap year and previous day\n! for precipitation calculation). (T. Otte)\n! 10 Feb 2018 Added new optional output files for fractional land\n! use, layered soil data, and mosaic data. (T. Spero)\n! 18 Dec 2018 Removed support for MM5v3 input files. Added file\n! names for netCDF output. Removed runtime option\n! to not output time-independent files. (T. Spero)\n!-------------------------------------------------------------------------------\n\n IMPLICIT NONE\n\n INTEGER :: iutmm\n INTEGER, PARAMETER :: iutgd = 4\n INTEGER, PARAMETER :: iutmmi = 10\n INTEGER, PARAMETER :: iutnml = 8\n\n INTEGER, PARAMETER :: max_mm = 367\n\n CHARACTER(LEN=256) :: file_gd\n CHARACTER(LEN=256) :: file_mm ( max_mm )\n CHARACTER(LEN=256), PARAMETER :: file_nml = 'namelist.mcip'\n CHARACTER(LEN=256) :: file_geo\n\n CHARACTER(LEN=16), PARAMETER :: gridbdy2d = 'GRID_BDY_2D '\n CHARACTER(LEN=16), PARAMETER :: gridcro2d = 'GRID_CRO_2D '\n CHARACTER(LEN=16), PARAMETER :: griddot2d = 'GRID_DOT_2D '\n CHARACTER(LEN=16), PARAMETER :: lufraccro = 'LUFRAC_CRO '\n CHARACTER(LEN=16), PARAMETER :: metbdy3d = 'MET_BDY_3D '\n CHARACTER(LEN=16), PARAMETER :: metcro2d = 'MET_CRO_2D '\n CHARACTER(LEN=16), PARAMETER :: metcro3d = 'MET_CRO_3D '\n CHARACTER(LEN=16), PARAMETER :: metdot3d = 'MET_DOT_3D '\n CHARACTER(LEN=16), PARAMETER :: mosaiccro = 'MOSAIC_CRO '\n CHARACTER(LEN=16), PARAMETER :: soicro = 'SOI_CRO ' \n\n CHARACTER(LEN=16), PARAMETER :: mcipbdyncf = 'mcip_bdy.nc '\n CHARACTER(LEN=16), PARAMETER :: mcipncf = 'mcip.nc '\n\n INTEGER :: cdfid_b\n INTEGER :: cdfid_m\n\nEND MODULE files\n" }, { "path": "PREP/mcip/src/getluse.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nSUBROUTINE getluse\n\n!-------------------------------------------------------------------------------\n! Name: Get Land Use\n! Purpose: Reads in land use fractions and reclassifies categories\n! following RADM as needed for use with PBLPKG and RADMDRY.\n! Revised: 15 Jan 1997 Created for MCIP and generalized CTM. (D. Byun)\n! 20 May 1997 Adapted for Models-3 BETA system. (D. Byun)\n! 04 Feb 1998 Changed include for nonglobal includes. (D. Byun)\n! 14 Apr 2000 Added more LU data options. (D. Byun)\n! 10 Sep 2001 Converted to free-form f90. Removed retrieval of BMAX\n! from environment and added it to MCIPPARM. Converted\n! arrays to allocatable based on run-time definitions.\n! Removed re-calculations of NCG_I and NCG_J. Changed\n! MAXI and MAXJ to METROW and METCOL. Removed argument\n! list. Changed 11-category water from \"7\" to LWATER.\n! Added calculations for LUTYPE=3. Moved calculations\n! for each definition of LUTYPE to separate subroutines.\n! (T. Otte)\n! 09 Jan 2002 Changed calls to \"abort\" to calls to \"m3exit\" for\n! graceful shut-down of I/O API files. (T. Otte)\n! 26 Mar 2003 Simplified algorithm to map input meteorology to\n! MCIP_X domain. (T. Otte)\n! 11 Aug 2004 Removed obsolete land-use input sources so that all\n! land-use input is assumed to come directly from MM5\n! to be converted to RADM categories. Added algorithms\n! from lutrans3.F here. Removed XFLAGS. Removed\n! conversion of land use to RADM categories if RADM dry\n! deposition and/or PBL recalculation is not used.\n! (T. Otte)\n! 01 Dec 2004 Added processing for fractional land use categories\n! if those fields are available. (T. Otte)\n! 08 Apr 2005 Removed NDX and option to interpolate to finer scale\n! meteorology. Changed I and J dimensions to Y and X\n! to make the code more general. Added optimization\n! of loops using F90 implicit loop structures. (T. Otte)\n! 20 Jul 2005 Recoded nested WHERE-ELSEWHERE-END WHERE for known bug\n! in PGF90v5.2 compiler. (T. Otte)\n! 14 Jul 2006 Corrected comparison of REAL field in XDLUSE with\n! INTEGER scalar LWATER. Removed unused variables\n! IIL and JJL. Define land-water mask array. (T. Otte)\n! 04 May 2007 Removed option to convert to RADM land use categories.\n! Defined character string with land use classification\n! source. Changed criteria to file XLUSRC. (T. Otte)\n! 05 May 2008 Expanded possible land use configurations to include\n! 33-category USGS classification in WRFv2.2+. Changed\n! definition of PURB to reflect urban land use that can\n! be in categories 1, 31, 32, and 33 for USGS 33-category\n! land use. Changed to preferentially fill PURB from\n! FRC_URB when the urban canopy model is used in WRF.\n! (T. Otte)\n! 27 Oct 2009 Added NLCD/MODIS and Modified IGBP MODIS-NOAH as\n! land-use classification systems for WRF. Changed\n! MET_UCMCALL to MET_URBAN_PHYS, and allowed for variable\n! to be set to be greater than 1. (T. Otte)\n! 12 Feb 2010 Removed unused variables IDOM and J. (T. Otte)\n! 15 Dec 2010 Moved LWATER from module MCIPPARM to be a local\n! variable. Added LICE, and use it to refine land/water\n! mask to include ice cells as water rather than land.\n! (T. Otte)\n! 29 Aug 2011 Improved error handling. (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n! 10 Sep 2012 Added handling for 40-category 2006 NLCD-MODIS land\n! use classification as \"NLCD40\". Added alternate name\n! for 50-category 2001 NLCD-MODIS land use classification\n! as \"NLCD50\". Changed LUCATNLCD to LUCATNLCD50 and\n! added new field LUCATNLCD40. Changed XLUSRC for the\n! 50-category classification from \"NLCD-MODIS\" to\n! \"NLCD50\". Added XLUSRC of \"NLCD40\" for the 40-category\n! classification. Corrected error in mapping of water\n! from NLCD-MODIS (NLCD50) into a single category where\n! category 47 (barren or sparsely vegetated) was used\n! instead of category 48 (IGBP water). In the computed\n! land mask, returned snow/ice to land. Now use land\n! mask directly from WRF if Pleim-Xiu LSM was used in\n! WRF. (T. Otte)\n! 26 Nov 2014 Added code to handle separate lake category option in\n! USGS and MODIS land use classifications from WRF by\n! converting lakes to generic water (because CMAQ does\n! not distinguish handling lakes of yet). Also removed\n! requirement to have FRC_URB available when the urban\n! canopy model is used in WRF. (T. Spero and C. Nolte)\n! 30 Oct 2015 Corrected logic on filling PURB to account for case\n! where FRC_URB has not been allocated. (T. Spero)\n! 09 Feb 2018 Added capability to properly process PURB when the\n! 21-category MODIS land use is used in WRF. Added\n! processing of fractional land use for NOAH Mosaic.\n! (T. Spero)\n! 22 Jun 2018 Changed name of module LUVARS to LUCATS to minimize\n! confusion. (T. Spero)\n! 08 Aug 2018 Corrected bug in setting land use category names in\n! MCIP for USGS24 + lakes. (T. Spero)\n!-------------------------------------------------------------------------------\n\n USE lucats\n USE metvars\n USE metinfo, nx => met_nx, ny => met_ny\n USE xvars\n USE mcipparm\n\n IMPLICIT NONE\n\n INTEGER :: col\n INTEGER :: ec\n INTEGER :: er\n INTEGER :: i\n INTEGER :: ii\n INTEGER :: jj\n INTEGER :: lu\n INTEGER :: lumax\n CHARACTER(LEN=16), PARAMETER :: pname = 'GETLUSE'\n INTEGER :: row\n INTEGER :: sc\n INTEGER :: sr\n\n!-------------------------------------------------------------------------------\n! Error, warning, and informational messages.\n!-------------------------------------------------------------------------------\n\n CHARACTER(LEN=256), PARAMETER :: f9000 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** TOO MANY INPUT LAND USE CATEGORIES', &\n & /, 1x, '*** MAXIMUM ALLOWED (MAXLUC) = ', i4, &\n & /, 1x, '*** ATTEMPTED SIZE = ', i4, &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9100 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** UNKNOWN LAND USE SOURCE AND MAX CATEGORIES', &\n & /, 1x, '*** LAND USE SOURCE = ', a, &\n & /, 1x, '*** NUMBER OF CATEGORIES = ', i4, &\n & /, 1x, 70('*'))\"\n\n!-------------------------------------------------------------------------------\n! Set up land-use classification-specific information.\n!-------------------------------------------------------------------------------\n\n IF ( nummetlu > SIZE(xluse,3) ) THEN\n WRITE (*,f9000) TRIM(pname), SIZE(xluse,3), nummetlu\n CALL graceful_stop (pname)\n ENDIF\n\n lumax = nummetlu\n\n IF ( ( met_lu_src(1:3) == \"USG\" ) .AND. ( nummetlu == 24 ) ) THEN\n xlusrc = \"USGS24\" ! accounts for lake category 28\n DO i = 1, nummetlu\n xludesc(i) = TRIM(xlusrc) // ': ' // TRIM(lucatusgs24(i))\n ENDDO\n ELSE IF ( ( met_lu_src(1:3) == \"USG\" ) .AND. ( nummetlu == 28 ) ) THEN\n xlusrc = \"USGS28\"\n DO i = 1, nummetlu\n xludesc(i) = TRIM(xlusrc) // ': ' // TRIM(lucatusgs28(i))\n ENDDO\n ELSE IF ( ( met_lu_src(1:3) == \"USG\" ) .AND. ( nummetlu == 33 ) ) THEN\n xlusrc = \"USGS33\"\n DO i = 1, nummetlu\n xludesc(i) = TRIM(xlusrc) // ': ' // TRIM(lucatusgs33(i))\n ENDDO\n ELSE IF ( ( met_lu_src(1:3) == \"OLD\" ) .AND. ( nummetlu == 13 ) ) THEN\n xlusrc = \"MM513\"\n DO i = 1, nummetlu\n xludesc(i) = TRIM(xlusrc) // ': ' // TRIM(lucatold(i))\n ENDDO\n ELSE IF ( ( met_lu_src(1:3) == \"MOD\" ) .AND. ( nummetlu == 20 ) .OR. &\n ( met_lu_src(1:3) == \"MOD\" ) .AND. ( nummetlu == 21 ) .OR. &\n ( met_lu_src(1:3) == \"MOD\" ) .AND. ( nummetlu == 33 ) ) THEN\n xlusrc = \"MODIS NOAH\" ! accounts for lake category 21\n DO i = 1, nummetlu\n xludesc(i) = TRIM(xlusrc) // ': ' // TRIM(lucatmod(i))\n ENDDO\n ELSE IF ( ( met_lu_src(1:3) == \"NLC\" ) .AND. ( nummetlu == 50 ) ) THEN\n xlusrc = \"NLCD50\"\n DO i = 1, nummetlu\n xludesc(i) = TRIM(xlusrc) // ': ' // TRIM(lucatnlcd50(i))\n ENDDO\n ELSE IF ( ( met_lu_src(1:3) == \"NLC\" ) .AND. ( nummetlu == 40 ) ) THEN\n xlusrc = \"NLCD40\"\n DO i = 1, nummetlu\n xludesc(i) = TRIM(xlusrc) // ': ' // TRIM(lucatnlcd40(i))\n ENDDO\n ELSE IF ( ( ( met_lu_src(1:3) == \"SiB\" ) .OR. ( met_lu_src(1:3) == \"SIB\" ) ) &\n .AND. ( nummetlu == 16 ) ) THEN\n xlusrc = \"SIB\"\n DO i = 1, nummetlu\n xludesc(i) = TRIM(xlusrc) // ': ' // TRIM(lucatsib(i))\n ENDDO\n ELSE\n WRITE (*,f9100) TRIM(pname), met_lu_src, nummetlu\n CALL graceful_stop (pname)\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Fill input land use from meteorological model into output arrays.\n!-------------------------------------------------------------------------------\n\n sc = x0\n ec = x0 + ncols_x - 1\n sr = y0\n er = y0 + nrows_x - 1\n\n IF ( iflufrc ) THEN\n\n xluse (:,:,1:lumax) = lufrac (sc:ec,sr:er,:)\n xdluse(:,:) = landuse(sc:ec,sr:er)\n\n IF ( iflu2wrfout ) THEN\n\n xlufrac2 (:,:,:) = lufrac2 (sc:ec,sr:er,1:nummosaic)\n xmoscatidx (:,:,:) = moscatidx(sc:ec,sr:er,1:nummosaic)\n\n ENDIF\n\n ELSE\n\n DO col = 1, ncols_x\n ii = x0 + col - 1\n DO row = 1, nrows_x\n jj = y0 + row - 1\n\n lu = landuse(ii,jj)\n\n xluse (col,row,:) = 0.0\n xluse (col,row,lu) = 1.0\n xdluse(col,row) = lu\n\n ENDDO\n ENDDO\n\n ! Adjust NLCD-MODIS (50-category and 40-category versions) \n ! for duplicate water and ice categories.\n\n IF ( TRIM(xlusrc) == \"NLCD50\" ) THEN ! NLCD50\n\n ! Adjust NLCD50 (formerly NLCD-MODIS) to consolidate all water\n ! into single category.\n\n xluse(:,:, 1) = xluse(:,:,1) + xluse(:,:,31) + xluse(:,:,48)\n xluse(:,:,31) = 0.0\n xluse(:,:,48) = 0.0\n\n ! Adjust NLCD50 to consolidate all ice into single category.\n\n xluse(:,:, 2) = xluse(:,:,2) + xluse(:,:,46)\n xluse(:,:,46) = 0.0\n\n DO col = 1, ncols_x\n DO row = 1, nrows_x\n\n ! Convert \"water\" to \"open water\".\n\n IF ( xdluse(col,row) == 31 ) THEN\n xdluse(col,row) = 1\n ENDIF\n\n ! Convert \"IGBP water\" to \"open water\".\n\n IF ( xdluse(col,row) == 48 ) THEN\n xdluse(col,row) = 1\n ENDIF\n\n ! Convert \"Permanent Snow and Ice\" to \"Perennial Ice-Snow\"\n\n IF ( xdluse(col,row) == 46 ) THEN\n xdluse(col,row) = 2\n ENDIF\n\n ! If there was overlap in water categories, ensure dominant category\n ! is water if the sum is greater than 50% of the cell.\n\n IF ( xluse(col,row,1) > 0.50 ) THEN\n xdluse(col,row) = 1\n ENDIF\n\n ! If there was overlap in ice categories, ensure dominant category\n ! is ice if the sum is greater than 50% of the cell.\n\n IF ( xluse(col,row,2) > 0.50 ) THEN\n xdluse(col,row) = 2\n ENDIF\n\n ENDDO\n ENDDO\n\n ELSE IF ( TRIM(xlusrc) == \"NLCD40\" ) THEN ! NLCD40\n\n ! Adjust NLCD40 to consolidate all water into single category.\n\n xluse(:,:,17) = xluse(:,:,17) + xluse(:,:,21)\n xluse(:,:,21) = 0.0\n\n ! Adjust NLCD50 to consolidate all ice into single category.\n\n xluse(:,:,15) = xluse(:,:,15) + xluse(:,:,22)\n xluse(:,:,22) = 0.0\n\n DO col = 1, ncols_x\n DO row = 1, nrows_x\n\n ! Convert \"open water\" to \"IGBP water\".\n\n IF ( xdluse(col,row) == 21 ) THEN\n xdluse(col,row) = 17\n ENDIF\n\n ! Convert \"Perennial Ice-Snow\" to \"Snow and Ice\"\n\n IF ( xdluse(col,row) == 22 ) THEN\n xdluse(col,row) = 15\n ENDIF\n\n ! If there was overlap in water categories, ensure dominant category\n ! is water if the sum is greater than 50% of the cell.\n\n IF ( xluse(col,row,17) > 0.50 ) THEN\n xdluse(col,row) = 17\n ENDIF\n\n ! If there was overlap in ice categories, ensure dominant category\n ! is ice if the sum is greater than 50% of the cell.\n\n IF ( xluse(col,row,15) > 0.50 ) THEN\n xdluse(col,row) = 15\n ENDIF\n\n ENDDO\n ENDDO\n\n ENDIF ! NLCD-MODIS\n\n ENDIF ! fractional land use\n\n!-------------------------------------------------------------------------------\n! If lakes are defined in WRF land-use classification, convert lakes to\n! generic water category here.\n!-------------------------------------------------------------------------------\n\n IF ( met_lu_lake > 0 ) THEN ! lakes in a separate land use index\n WHERE ( NINT(xdluse) == met_lu_lake )\n xdluse = met_lu_water\n ENDWHERE\n xluse(:,:,met_lu_water) = xluse(:,:,met_lu_water) + xluse(:,:,met_lu_lake)\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Define land-water mask.\n!-------------------------------------------------------------------------------\n\n IF ( ( met_soil_lsm == 7 ) .AND. ( met_model == 2 ) ) THEN ! P-X and WRF\n\n xlwmask(:,:) = landmask(sc:ec,sr:er)\n\n ELSE\n\n ! LANDMASK is a dynamic, time-variant field in WRF for LSMs other than P-X,\n ! so reconstruct it as a static field using the dominant land-use category.\n\n WHERE ( NINT(xdluse) == met_lu_water ) ! water\n xlwmask = 0.0\n ELSEWHERE ! land\n xlwmask = 1.0\n END WHERE\n\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Fill percentage of urban area (PURB) based on amount of land in grid cell.\n! When urban canopy model is used in WRF, use fraction of urban area in\n! cell (FRC_URB) to fill PURB, if PRC_URB is available.\n!-------------------------------------------------------------------------------\n\n IF ( met_urban_phys >= 1 ) THEN\n\n sc = x0\n ec = x0 + ncols_x - 1\n sr = y0\n er = y0 + nrows_x - 1\n\n xpurb(:,:) = frc_urb(sc:ec,sr:er) * 100.0 ! [fraction -> percent]\n\n ELSE IF ( iflufrc ) THEN ! fractional land use available\n\n DO row = 1, nrows_x\n DO col = 1, ncols_x\n \n IF ( NINT(xdluse(col,row)) == met_lu_water ) THEN ! water is dominant\n xpurb(col,row) = 0.0\n ELSE ! land is dominant over water in cell\n IF ( xluse(col,row,met_lu_water) < 1.0 ) THEN\n IF ( TRIM(xlusrc) == 'USGS33' ) THEN\n xpurb(col,row) = ( ( xluse(col,row,1) + xluse(col,row,31) + &\n xluse(col,row,32) + xluse(col,row,33) ) / &\n (1.0 - xluse(col,row,met_lu_water)) ) * 100.0\n ELSE IF ( TRIM(xlusrc) == 'MODIS NOAH' ) THEN\n IF ( nummetlu == 33 ) THEN\n xpurb(col,row) = ( ( xluse(col,row,13) + xluse(col,row,31) + &\n xluse(col,row,32) + xluse(col,row,33) ) / &\n (1.0 - xluse(col,row,met_lu_water)) ) * 100.0\n ELSE IF ( ( nummetlu == 20 ) .OR. ( nummetlu == 21 ) ) THEN\n xpurb(col,row) = ( xluse(col,row,13) / &\n (1.0 - xluse(col,row,met_lu_water)) ) * 100.0\n ENDIF\n ELSE IF ( TRIM(xlusrc) == 'NLCD50' ) THEN\n xpurb(col,row) = ( ( xluse(col,row,3) * 0.10 + &\n xluse(col,row,4) * 0.35 + &\n xluse(col,row,5) * 0.65 + &\n xluse(col,row,6) * 0.90 + &\n xluse(col,row,44) ) / &\n (1.0 - xluse(col,row,met_lu_water)) ) * 100.0\n ELSE IF ( TRIM(xlusrc) == 'NLCD40' ) THEN\n xpurb(col,row) = ( ( xluse(col,row,23) * 0.10 + &\n xluse(col,row,24) * 0.35 + &\n xluse(col,row,25) * 0.65 + &\n xluse(col,row,26) * 0.90 + &\n xluse(col,row,13) ) / &\n (1.0 - xluse(col,row,met_lu_water)) ) * 100.0\n ELSE IF ( TRIM(xlusrc) == 'SIB' ) THEN\n xpurb(col,row) = 0.0 ! urban is not specified in SiB\n ELSE ! \"OLD\" from MM5\n xpurb(col,row) = ( xluse(col,row,1) / &\n (1.0 - xluse(col,row,met_lu_water)) ) * 100.0\n ENDIF\n ELSE\n xpurb(col,row) = 0.0\n ENDIF\n ENDIF\n\n ENDDO\n ENDDO\n\n ENDIF\n\nEND SUBROUTINE getluse\n" }, { "path": "PREP/mcip/src/getmet.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nSUBROUTINE getmet (mcip_now)\n\n!-------------------------------------------------------------------------------\n! Name: Get Meteorology (from MM5)\n! Purpose: Get input meteorology information from MM5v2 or MM5v3 files.\n! Revised: 04 Feb 1997 Original version. (Y.-H. Li)\n! 04 Mar 1997 Added include file 'LRADMDAT.EXT'. Replaced loop\n! indices with METCOL, METROW, METLAY. (D. Byun)\n! 29 May 1997 Modified SUBST include for beta version. (D. Byun)\n! 05 Nov 1997 Added nonhydrostatic and hydrostatic output\n! functions. (D. Byun)\n! 04 Feb 1998 Changed include method for nonglobals. (D. Byun)\n! 04 Mar 1998 Allow high resolution land use data. (R. Tang)\n! 19 Sep 2001 Rewrote entire section of code in and called from this\n! routine and organized it into logical subroutines.\n! All code is now in free-form f90. This routine and\n! others called within replace getmet_mm5.F. (T. Otte)\n! 12 Jan 2005 Added option to call WRF input routine. (T. Otte)\n! 19 Jun 2006 Updated error-handling if unknown meteorology model\n! is encountered. (T. Otte)\n! 09 Apr 2007 Changed routine to directly call RDMM5V3 rather than\n! RDMM5 because MM5v2-formatted data are no longer\n! suppported. (T. Otte)\n! 29 Aug 2011 Improved error handling. (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n! 14 Sep 2018 Removed support for MM5v3 input. (T. Spero)\n!-------------------------------------------------------------------------------\n\n USE metinfo, ONLY: met_model\n\n IMPLICIT NONE\n\n CHARACTER(LEN=24), INTENT(IN) :: mcip_now\n CHARACTER(LEN=16), PARAMETER :: pname = 'GETMET'\n\n!-------------------------------------------------------------------------------\n! Error, warning, and informational messages.\n!-------------------------------------------------------------------------------\n\n CHARACTER(LEN=256), PARAMETER :: f9000 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** UNKNOWN INPUT MET MODEL SOURCE', &\n & /, 1x, '*** MUST BE WRF-ARW', &\n & /, 1x, '*** MET_MODEL = ', i4, &\n & /, 1x, 70('*'))\"\n\n!-------------------------------------------------------------------------------\n! Read meteorology information for this time period.\n!-------------------------------------------------------------------------------\n\n IF ( met_model == 2 ) THEN ! WRF-ARW\n CALL rdwrfem (mcip_now)\n ELSE\n WRITE (*,f9000) TRIM(pname), met_model\n CALL graceful_stop (pname)\n ENDIF\n\nEND SUBROUTINE getmet\n" }, { "path": "PREP/mcip/src/getpblht.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nSUBROUTINE getpblht (c, r, wspd)\n\n!-------------------------------------------------------------------------------\n! Name: Get PBL Height\n! Purpose: Calculates PBL height from bulk Richardson number.\n! Notes: This routine is used when PBL from input meteorology is 0.0.\n! Bulk Richardson number calculation taken from Byun's pblpkg.F\n! subroutine. PBL height algorithm from Alapaty's VMM for MM5.\n! Revised: 19 Sep 2001 Original version. (T. Otte)\n! 08 Jan 2002 Adjusted minimum PBL height to be height of lowest\n! mid-layer rather than height of lowest full layer.\n! (T. Otte)\n! 12 Jul 2004 Added provision to specify PBL height if KTOP is 1.\n! Changed local array allocation to occur only on\n! initial call to subroutine to avoid memory\n! fragmentation. (T. Otte)\n! 09 Apr 2007 Added IMPLICIT NONE. Added explicit declarations for\n! E_AERK, QSURF, and DTEMP. Modified calculations of\n! DTMPV, DTEMP, and RIBK to remove dependencies on\n! function CVMGZ. (T. Otte)\n! 01 Sep 2011 Replaced statement functions with external routines.\n! (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n!-------------------------------------------------------------------------------\n\n USE mcipparm\n USE const\n USE xvars\n\n IMPLICIT NONE\n\n REAL :: apbl\n INTEGER, INTENT(IN) :: c\n REAL :: densd\n REAL :: densw\n REAL :: dtemp\n REAL, PARAMETER :: dtempmax = 5.0 ! max sfc_T - air_T\n REAL, PARAMETER :: dtempmin = -3.0 ! min sfc_t - air_T\n REAL :: dtmpv\n REAL, EXTERNAL :: e_aerk\n REAL :: fract1\n REAL :: fract2\n INTEGER :: k\n INTEGER :: ktop\n REAL :: psurf\n REAL, EXTERNAL :: ptemp\n REAL :: qratio\n REAL :: qsurf\n INTEGER, INTENT(IN) :: r\n REAL :: rhumid\n REAL, SAVE, ALLOCATABLE :: ribk ( : )\n REAL :: tsurf\n REAL :: vpress\n REAL :: vptemp\n REAL, SAVE, ALLOCATABLE :: vptempk ( : )\n REAL :: vptsurf\n REAL :: vsat\n REAL, EXTERNAL :: vtemp\n REAL, INTENT(IN) :: wspd ( : )\n REAL :: zpbl\n\n!-------------------------------------------------------------------------------\n! Allocate necessary arrays.\n!-------------------------------------------------------------------------------\n\n IF ( .NOT. ALLOCATED ( ribk ) ) ALLOCATE ( ribk ( metlay ) )\n IF ( .NOT. ALLOCATED ( vptempk ) ) ALLOCATE ( vptempk ( metlay ) )\n\n!-------------------------------------------------------------------------------\n! Compute difference of virtual temperature. Algorithm taken from Byun's\n! pblpkg.F.\n!-------------------------------------------------------------------------------\n\n ! Saturation vapor pressure over water [mb]\n\n ! Estimating water vapor at surface with TSURF = 0.5*(TEMPM(1)+TEMPG)\n ! assuming it has the same relative humidity as the layer 1 air,\n ! but at the reference temperature\n\n vsat = e_aerk( xtempm(c,r,1) - stdtemp )\n vpress = xdenswm(c,r,1) * rwvap * xtempm(c,r,1)\n\n rhumid = vpress / vsat\n\n psurf = xpresm(c,r,1) + grav*xdensam(c,r,1)*x3htm(c,r,1) ! [Pa]\n tsurf = 0.5 * ( xtempm(c,r,1) + xtempg(c,r) )\n vsat = e_aerk( tsurf - stdtemp ) ! [Pa]\n\n vpress = vsat * rhumid\n densw = vpress / ( rwvap * tsurf )\n densd = xdensaf(c,r,0)\n\n qsurf = densw / densd\n\n ! Virtual temperature of ground and air above ground\n\n vptsurf = vtemp( tsurf, qsurf )\n vptsurf = ptemp( vptsurf, psurf )\n\n qratio = xdenswm(c,r,1) / ( xdensam(c,r,1) - xdenswm(c,r,1) )\n\n vptemp = vtemp( xtempm(c,r,1), qratio )\n vptemp = ptemp( vptemp, xpresm(c,r,1) )\n\n dtmpv = vptsurf - vptemp\n IF ( dtmpv < dtempmin ) dtmpv = dtempmin\n IF ( dtmpv > dtempmax ) dtmpv = dtempmax\n IF ( dtmpv == 0.0 ) THEN\n dtmpv = 1.0e-10\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Calculate bulk Richardson number. Algorithm taken from Byun's pblpkg.F.\n!-------------------------------------------------------------------------------\n\n ribloop: DO k = 1, metlay\n\n vptempk(k) = vtemp( xtempm(c,r,k), qratio )\n vptempk(k) = ptemp( vptempk(k), xpresm(c,r,k) )\n\n dtemp = - ( dtmpv + vptempk(1) - vptempk(k) )\n IF ( dtemp == 0.0 ) THEN\n dtemp = 1.0e-10\n ENDIF\n\n ribk(k) = grav * x3htm(c,r,k) * dtemp / ( tsurf * wspd(k)**2 )\n IF ( ribk(k) == 0.0 ) THEN\n ribk(k) = -1.0e-10\n ENDIF\n\n IF ( ribk(k) >= 0.25 ) THEN\n ktop = k\n EXIT ribloop\n ENDIF\n\n ENDDO ribloop\n\n!-------------------------------------------------------------------------------\n! Calculate PBL height. Algorithm adapted from Alapaty's VMM for Blackadar\n! in MM5.\n!-------------------------------------------------------------------------------\n\n IF ( ktop /= 1 ) THEN\n fract1 = ( 0.25 - ribk(ktop-1) ) / ( ribk(ktop) - ribk(ktop-1) )\n fract2 = 1.0 - fract1\n apbl = x3htm(c,r,ktop) * fract1\n zpbl = apbl + ( x3htm(c,r,ktop) * fract2 )\n ELSE\n zpbl = x3htm(c,r,ktop)\n ENDIF\n\n IF ( zpbl < x3htm(c,r,1) ) THEN\n xpbl(c,r) = x3htm(c,r,1)\n ELSE\n xpbl(c,r) = zpbl\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Deallocate arrays.\n!-------------------------------------------------------------------------------\n\n! DEALLOCATE ( ribk ) ! commented out to avoid memory fragmentation\n! DEALLOCATE ( vptempk ) ! commented out to avoid memory fragmentation\n\nEND SUBROUTINE getpblht\n" }, { "path": "PREP/mcip/src/getpsih.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nSUBROUTINE getpsih (z1, z2, ustar, amol, psih)\n\n!-------------------------------------------------------------------------------\n! Name: Surface Layer\n! Purpose: Compute PSIH using a mosaic USTAR to get aerodynamic resistance.\n! Uses similarity based on Hogstrom (1988).\n! Notes: Adapted from sfclayer.f90 from MCIPv4.4.\n! Revised: 10 Feb 2018 Original version. (T. Spero)\n!-------------------------------------------------------------------------------\n\n USE const_pbl\n\n IMPLICIT NONE\n\n REAL :: alogz1z2\n REAL, INTENT(IN) :: amol ! Monin-Obukhov length [m]\n REAL, INTENT(OUT) :: psih\n REAL :: psih0\n REAL, INTENT(IN) :: ustar ! friction velocity [m/s]\n REAL :: x1\n REAL :: x2\n REAL, INTENT(IN) :: z1 ! height [m]\n REAL :: z1ol\n REAL, INTENT(IN) :: z2 ! height [m]\n REAL :: z2ol\n\n ! Compute psi functions from aerodynamic resistance.\n\n z1ol = z1 / amol\n z2ol = z2 / amol\n\n alogz1z2 = ALOG(z1/z2)\n\n IF ( z1ol >= 0.0 ) THEN\n\n IF ( z1ol > 1.0 ) THEN\n psih0 = 1.0 - betah - z1ol\n ELSE\n psih0 = - betah * z1ol\n ENDIF\n\n IF ( z2ol > 1.0 ) THEN\n psih = psih0 - (1.0 - betah - z2ol)\n ELSE\n psih = psih0 + betah * z2ol\n ENDIF\n\n ELSE\n\n psih = 2.0 * ALOG( (1.0 + SQRT(1.0 - gamah*z1ol)) / &\n (1.0 + SQRT(1.0 - gamah*z2ol)) )\n\n ENDIF\n \nEND SUBROUTINE getpsih\n" }, { "path": "PREP/mcip/src/getsdt.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nSUBROUTINE getsdt (hdate, sdate, stime)\n\n!-------------------------------------------------------------------------------\n! Name: Get SDATE and STIME\n! Purpose: Compute SDATE and STIME from MM5-type (and WRF-type) date.\n! Revised: 10 Sep 2001 Original version. (T. Otte)\n! 12 Feb 2010 Removed GMT from argument list and calculations.\n! (T. Otte)\n! 30 Aug 2011 Changed F77 character declarations to F90 standard.\n! (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n!-------------------------------------------------------------------------------\n\n IMPLICIT NONE\n\n INTEGER :: dd\n CHARACTER(LEN=24), INTENT(IN) :: hdate ! YYYY_MO_DD-HH:MI:SS.SSSS\n INTEGER :: hh\n INTEGER :: jjj\n INTEGER, EXTERNAL :: julian\n INTEGER :: mi\n INTEGER :: mo\n INTEGER, INTENT(OUT) :: sdate ! YYYYJJJ\n INTEGER, INTENT(OUT) :: stime ! HHMISS\n INTEGER :: yyyy\n\n READ ( hdate(1:4), '(i4.4)' ) yyyy\n READ ( hdate(6:7), '(i2.2)' ) mo\n READ ( hdate(9:10), '(i2.2)' ) dd\n READ ( hdate(12:13), '(i2.2)' ) hh\n READ ( hdate(15:16), '(i2.2)' ) mi\n\n jjj = julian (yyyy, mo, dd)\n\n sdate = ( yyyy * 1000 ) + jjj\n stime = ( hh * 10000 ) + ( mi * 100 ) ! assume seconds are 0\n\nEND SUBROUTINE getsdt\n" }, { "path": "PREP/mcip/src/graceful_stop.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nSUBROUTINE graceful_stop (pname)\n\n!-------------------------------------------------------------------------------\n! Name: Graceful Stop\n! Purpose: Gracefully stop program and close I/O API files.\n! Revised: 09 Jan 2002 Original version. (T. Otte)\n! 30 Aug 2011 Changed F77 character declarations to F90 standard.\n! (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n!-------------------------------------------------------------------------------\n\n USE date_time\n\n IMPLICIT NONE\n\n INTEGER, PARAMETER :: m3stat = 6247 ! MCIP error\n CHARACTER(LEN=16), INTENT(IN) :: pname\n CHARACTER(LEN=80) :: xmsg\n\n xmsg = 'ABNORMAL TERMINATION IN ' // TRIM(pname)\n CALL m3exit (pname, sdate, stime, xmsg, m3stat)\n\nEND SUBROUTINE graceful_stop\n" }, { "path": "PREP/mcip/src/gridout.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nSUBROUTINE gridout (sdate, stime)\n\n!-------------------------------------------------------------------------------\n! Name: GRID Output -- Create \"grid\" (or time-independent) output for CTM\n! Purpose: Output time-independent fields.\n! Revised: 18 Dec 2018 Original version in MCIPv5.0. Subsumes part of\n! gridout.f90 from MCIPv4.5. (T. Spero)\n!-------------------------------------------------------------------------------\n\n USE mcipparm, ONLY: ioform\n\n IMPLICIT NONE\n\n INTEGER, INTENT(IN) :: sdate\n INTEGER, INTENT(IN) :: stime\n\n!-------------------------------------------------------------------------------\n! Write time-independent output fields.\n!-------------------------------------------------------------------------------\n\n SELECT CASE ( ioform )\n\n CASE ( 1 ) ! Models-3 I/O API\n CALL outgm3io (sdate, stime)\n\n END SELECT\n\n!-------------------------------------------------------------------------------\n! Write GRIDDESC file.\n!-------------------------------------------------------------------------------\n\n CALL wrgdesc\n\n!-------------------------------------------------------------------------------\n! Print sample output to log file.\n!-------------------------------------------------------------------------------\n\n CALL outglog\n\nEND SUBROUTINE gridout\n" }, { "path": "PREP/mcip/src/gridproc.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nSUBROUTINE gridproc\n\n!-------------------------------------------------------------------------------\n! Name: Grid Processing\n! Purpose: Fill arrays for time-independent output fields.\n! Revised: 14 Dec 2018 Initial version with code taken from gridout.f90 and\n! lucro.f90. (T. Spero)\n! 18 Jun 2019 Updated comments to add clarification for the\n! sizing of the dot-point arrays. (T. Spero)\n!-------------------------------------------------------------------------------\n\n USE mcipparm\n USE xvars\n USE ctmvars\n\n IMPLICIT NONE\n\n INTEGER :: c\n INTEGER :: col\n INTEGER :: idx\n INTEGER :: l\n INTEGER :: lvl\n INTEGER :: r\n INTEGER :: row\n REAL :: xmapmin\n\n!-------------------------------------------------------------------------------\n! Fill time-independent 2d fields at cell centers.\n!-------------------------------------------------------------------------------\n\n xmapmin = MINVAL(xmapc) ! XMAPMIN also used for XMAPD\n\n DO row = 1, nrows\n r = row + nthik\n DO col = 1, ncols\n c = col + nthik\n \n g_lat%fld(col,row) = xlatc(c,r)\n g_lon%fld(col,row) = xlonc(c,r)\n\n IF ( xmapmin < xmissing ) THEN\n g_msfx2%fld(col,row) = fillreal\n ELSE\n g_msfx2%fld(col,row) = xmapc2(c,r) ! already squared\n ENDIF\n\n g_ht%fld(col,row) = xtopo(c,r)\n g_dluse%fld(col,row) = xdluse(c,r)\n g_lwmask%fld(col,row) = xlwmask(c,r)\n\n IF ( iflufrc ) THEN\n g_purb%fld(col,row) = xpurb(c,r)\n ELSE IF ( ifrcurb ) THEN ! include PURB from urban canopy model\n g_purb%fld(col,row) = xpurb(c,r)\n ENDIF\n\n ENDDO\n ENDDO\n\n!-------------------------------------------------------------------------------\n! Fill time-independent 3d fields (fractional land use) at cell centers.\n!-------------------------------------------------------------------------------\n\n IF ( iflufrc ) THEN ! fractional land use data are available\n\n DO row = 1, nrows\n r = row + nthik\n DO col = 1, ncols\n c = col + nthik\n DO lvl = 1, nummetlu\n\n g_lufrac%fld(col,row,lvl) = xluse(c,r,lvl)\n\n ENDDO\n ENDDO\n ENDDO\n\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Fill time-independent 2d fields for boundaries.\n!-------------------------------------------------------------------------------\n\n idx = 0\n\n ! Southern boundary moving west to east from column 1 (in output grid) to\n ! column NCOLS+NTHIK.\n\n DO r = 1, nthik\n DO c = 1 + nthik, ncols_x\n\n idx = idx + 1\n\n g_lat%bdy(idx) = xlatc(c,r)\n g_lon%bdy(idx) = xlonc(c,r)\n\n IF ( xmapmin < xmissing ) THEN\n g_msfx2%bdy(idx) = fillreal\n ELSE\n g_msfx2%bdy(idx) = xmapc2(c,r) ! already squared\n ENDIF\n\n g_ht%bdy(idx) = xtopo(c,r)\n g_dluse%bdy(idx) = xdluse(c,r)\n g_lwmask%bdy(idx) = xlwmask(c,r)\n\n IF ( iflufrc ) THEN\n g_purb%bdy(idx) = xpurb(c,r)\n ELSE IF ( ifrcurb ) THEN ! include PURB from urban canopy model\n g_purb%bdy(idx) = xpurb(c,r)\n ENDIF\n\n ENDDO\n ENDDO\n\n ! Eastern boundary moving south to north from row 1 (in output grid) to\n ! row NROWS+NTHIK.\n\n DO r = 1+nthik, nrows_x\n DO l = 1, nthik\n\n c = ncols_x - nthik + l\n idx = idx + 1\n\n g_lat%bdy(idx) = xlatc(c,r)\n g_lon%bdy(idx) = xlonc(c,r)\n\n IF ( xmapmin < xmissing ) THEN\n g_msfx2%bdy(idx) = xmissing\n ELSE\n g_msfx2%bdy(idx) = xmapc2(c,r) ! already squared\n ENDIF\n\n g_ht%bdy(idx) = xtopo(c,r)\n g_dluse%bdy(idx) = xdluse(c,r)\n g_lwmask%bdy(idx) = xlwmask(c,r)\n\n IF ( iflufrc ) THEN\n g_purb%bdy(idx) = xpurb(c,r)\n ELSE IF ( ifrcurb ) THEN ! include PURB from urban canopy model\n g_purb%bdy(idx) = xpurb(c,r)\n ENDIF\n\n ENDDO\n ENDDO\n\n ! Northern boundary moving west to east from column 1-NTHIK (in output grid)\n ! to column NCOLS.\n\n DO l = 1, nthik\n r = nrows_x - nthik + l\n DO c = 1, ncols_x - nthik\n idx = idx + 1\n\n g_lat%bdy(idx) = xlatc(c,r)\n g_lon%bdy(idx) = xlonc(c,r)\n\n IF ( xmapmin < xmissing ) THEN\n g_msfx2%bdy(idx) = fillreal\n ELSE\n g_msfx2%bdy(idx) = xmapc2(c,r) ! already squared\n ENDIF\n\n g_ht%bdy(idx) = xtopo(c,r)\n g_dluse%bdy(idx) = xdluse(c,r)\n g_lwmask%bdy(idx) = xlwmask(c,r)\n\n IF ( iflufrc ) THEN\n g_purb%bdy(idx) = xpurb(c,r)\n ELSE IF ( ifrcurb ) THEN ! include PURB from urban canopy model\n g_purb%bdy(idx) = xpurb(c,r)\n ENDIF\n\n ENDDO\n ENDDO\n \n ! Western boundary moving south to north from row 1-NTHIK (in output grid)\n ! to row NROWS.\n\n DO r = 1, nrows_x - nthik\n DO c = 1, nthik\n\n idx = idx + 1\n\n g_lat%bdy(idx) = xlatc(c,r)\n g_lon%bdy(idx) = xlonc(c,r)\n\n IF ( xmapmin < xmissing ) THEN\n g_msfx2%bdy(idx) = fillreal\n ELSE\n g_msfx2%bdy(idx) = xmapc2(c,r) ! already squared\n ENDIF\n\n g_ht%bdy(idx) = xtopo(c,r)\n g_dluse%bdy(idx) = xdluse(c,r)\n g_lwmask%bdy(idx) = xlwmask(c,r)\n\n IF ( iflufrc ) THEN\n g_purb%bdy(idx) = xpurb(c,r)\n ELSE IF ( ifrcurb ) THEN ! include PURB from urban canopy model\n g_purb%bdy(idx) = xpurb(c,r)\n ENDIF\n\n ENDDO\n ENDDO\n\n!-------------------------------------------------------------------------------\n! Fill time-independent 2d fields at cell corners and faces.\n!\n! These arrays are all set to the dot-point dimensions to accommodate the\n! false dot points in the Arakawa-C staggered grid that are output in\n! Models-3 I/O API \"DOT\" files. When the output is written in netCDF, the\n! true dimensions of the Arakawa-C staggered fields are used.\n!-------------------------------------------------------------------------------\n\n xmapmin = MINVAL(xmapd) ! XMAPMIN also used for XMAPC\n\n DO row = 1, nrows+1\n r = row + nthik\n DO col = 1, ncols+1\n c = col + nthik\n\n g_latd%fld(col,row) = xlatd(c,r)\n g_lond%fld(col,row) = xlond(c,r)\n\n IF ( xmapmin < xmissing ) THEN\n g_msfd2%fld(col,row) = fillreal\n ELSE\n g_msfd2%fld(col,row) = xmapd(c,r)**2\n ENDIF\n\n g_latu%fld(col,row) = xlatu(c,r)\n g_lonu%fld(col,row) = xlonu(c,r)\n\n IF ( xmapmin < xmissing ) THEN\n g_msfu2%fld(col,row) = fillreal\n ELSE\n g_msfu2%fld(col,row) = xmapu(c,r)**2\n ENDIF\n\n g_latv%fld(col,row) = xlatv(c,r)\n g_lonv%fld(col,row) = xlonv(c,r)\n\n IF ( xmapmin < xmissing ) THEN\n g_msfv2%fld(col,row) = fillreal\n ELSE\n g_msfv2%fld(col,row) = xmapv(c,r)**2\n ENDIF\n\n ENDDO\n ENDDO\n\nEND SUBROUTINE gridproc\n" }, { "path": "PREP/mcip/src/init_ctm.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nSUBROUTINE init_ctm\n\n!-------------------------------------------------------------------------------\n! Name: Initialize CTM data structures.\n! Purpose: Initializes CTM data structures.\n! Revised: 13 Dec 2018 Initial version. (T. Spero)\n! 18 Jun 2019 Added new surface variables with PX LSM that can\n! improve dust simulation in CCTM. Changed variable\n! LUVCOUT to LUVBOUT to reflect that the default 3D wind\n! components are on the Arakawa-C staggered grid, and\n! the optional additional 3D winds are on the Arakawa-B\n! staggered grid. Added optional variables from KF\n! convective scheme with radiative feedback. (T. Spero)\n! 08 Oct 2020 Updated description and units for potential vorticity\n! to adhere to constraints on character field in\n! I/O API. Note that units do not conform to MKS, but\n! full explanation is given in the description field.\n! (T. Spero)\n!-------------------------------------------------------------------------------\n\n USE mcipparm\n USE ctmvars\n\n IMPLICIT NONE\n \n!-------------------------------------------------------------------------------\n! Initialize output dimensions.\n!-------------------------------------------------------------------------------\n\n nx = ncols\n ny = nrows\n nz = nlays\n\n nxp1 = nx + 1\n nyp1 = ny + 1\n nzp1 = nz + 1\n\n nperim = nbndy\n\n nlucat = nummetlu\n nmos = nummosaic\n nsoi = metsoi\n\n!-------------------------------------------------------------------------------\n! Time-independent 2d fields at cell centers.\n!-------------------------------------------------------------------------------\n\n g_lat%fld = fillreal\n g_lat%bdy = fillreal\n g_lat%fldname = 'LAT'\n g_lat%long_name = 'latitude at cell centers'\n g_lat%units = 'degrees_north'\n g_lat%dimnames(1) = 'nx'\n g_lat%dimnames(2) = 'ny'\n g_lat%istart(1) = 1\n g_lat%istart(2) = 1\n g_lat%iend(1) = nx\n g_lat%iend(2) = ny\n g_lat%dimnames_b(1) = 'nperim'\n g_lat%istart_b(1) = 1\n g_lat%iend_b(1) = nperim\n\n g_lon%fld = fillreal\n g_lon%bdy = fillreal\n g_lon%fldname = 'LON'\n g_lon%long_name = 'longitude at cell centers'\n g_lon%units = 'degrees_east'\n g_lon%dimnames(1) = 'nx'\n g_lon%dimnames(2) = 'ny'\n g_lon%istart(1) = 1\n g_lon%istart(2) = 1\n g_lon%iend(1) = nx\n g_lon%iend(2) = ny\n g_lon%dimnames_b(1) = 'nperim'\n g_lon%istart_b(1) = 1\n g_lon%iend_b(1) = nperim\n\n g_msfx2%fld = fillreal\n g_msfx2%bdy = fillreal\n g_msfx2%fldname = 'MSFX2'\n g_msfx2%long_name = 'map-scale factor squared'\n g_msfx2%units = 'm2 m-2'\n g_msfx2%dimnames(1) = 'nx'\n g_msfx2%dimnames(2) = 'ny'\n g_msfx2%istart(1) = 1\n g_msfx2%istart(2) = 1\n g_msfx2%iend(1) = nx\n g_msfx2%iend(2) = ny\n g_msfx2%dimnames_b(1) = 'nperim'\n g_msfx2%istart_b(1) = 1\n g_msfx2%iend_b(1) = nperim\n\n g_ht%fld = fillreal\n g_ht%bdy = fillreal\n g_ht%fldname = 'HT'\n g_ht%long_name = 'terrain elevation'\n g_ht%units = 'm'\n g_ht%dimnames(1) = 'nx'\n g_ht%dimnames(2) = 'ny'\n g_ht%istart(1) = 1\n g_ht%istart(2) = 1\n g_ht%iend(1) = nx\n g_ht%iend(2) = ny\n g_ht%dimnames_b(1) = 'nperim'\n g_ht%istart_b(1) = 1\n g_ht%iend_b(1) = nperim\n\n g_dluse%fld = fillreal\n g_dluse%bdy = fillreal\n g_dluse%fldname = 'DLUSE'\n g_dluse%long_name = 'dominant land use category'\n g_dluse%units = '1'\n g_dluse%dimnames(1) = 'nx'\n g_dluse%dimnames(2) = 'ny'\n g_dluse%istart(1) = 1\n g_dluse%istart(2) = 1\n g_dluse%iend(1) = nx\n g_dluse%iend(2) = ny\n g_dluse%dimnames_b(1) = 'nperim'\n g_dluse%istart_b(1) = 1\n g_dluse%iend_b(1) = nperim\n\n g_lwmask%fld = fillreal\n g_lwmask%bdy = fillreal\n g_lwmask%fldname = 'LWMASK'\n g_lwmask%long_name = 'land-water mask (1=land, 0=water)'\n g_lwmask%units = '1'\n g_lwmask%dimnames(1) = 'nx'\n g_lwmask%dimnames(2) = 'ny'\n g_lwmask%istart(1) = 1\n g_lwmask%istart(2) = 1\n g_lwmask%iend(1) = nx\n g_lwmask%iend(2) = ny\n g_lwmask%dimnames_b(1) = 'nperim'\n g_lwmask%istart_b(1) = 1\n g_lwmask%iend_b(1) = nperim\n\n IF ( iflufrc ) THEN\n g_purb%fld = fillreal\n g_purb%bdy = fillreal\n g_purb%fldname = 'PURB'\n g_purb%long_name = 'urban percent of cell based on land'\n g_purb%units = 'percent'\n g_purb%dimnames(1) = 'nx'\n g_purb%dimnames(2) = 'ny'\n g_purb%istart(1) = 1\n g_purb%istart(2) = 1\n g_purb%iend(1) = nx\n g_purb%iend(2) = ny\n g_purb%dimnames_b(1) = 'nperim'\n g_purb%istart_b(1) = 1\n g_purb%iend_b(1) = nperim\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Time-independent 2d fields at cell corners and cell faces.\n!-------------------------------------------------------------------------------\n\n g_latd%fld = fillreal\n g_latd%fldname = 'LATD'\n g_latd%long_name = 'latitude at cell corners'\n g_latd%units = 'degrees_north'\n g_latd%dimnames(1) = 'nxp1'\n g_latd%dimnames(2) = 'nyp1'\n g_latd%istart(1) = 1\n g_latd%istart(2) = 1\n g_latd%iend(1) = nxp1\n g_latd%iend(2) = nyp1\n\n g_lond%fld = fillreal\n g_lond%fldname = 'LOND'\n g_lond%long_name = 'longitude at cell corners'\n g_lond%units = 'degrees_east'\n g_lond%dimnames(1) = 'nxp1'\n g_lond%dimnames(2) = 'nyp1'\n g_lond%istart(1) = 1\n g_lond%istart(2) = 1\n g_lond%iend(1) = nxp1\n g_lond%iend(2) = nyp1\n\n g_msfd2%fld = fillreal\n g_msfd2%fldname = 'MSFD2'\n g_msfd2%long_name = 'squared map-scale factor at cell corners'\n g_msfd2%units = 'm2 m-2'\n g_msfd2%dimnames(1) = 'nxp1'\n g_msfd2%dimnames(2) = 'nyp1'\n g_msfd2%istart(1) = 1\n g_msfd2%istart(2) = 1\n g_msfd2%iend(1) = nxp1\n g_msfd2%iend(2) = nyp1\n\n g_latu%fld = fillreal\n g_latu%fldname = 'LATU'\n g_latu%long_name = 'latitude at cell U faces'\n g_latu%units = 'degrees_north'\n g_latu%dimnames(1) = 'nxp1'\n IF ( ioform == 1 ) THEN ! M3IO -- keep false dot points\n g_latu%dimnames(2) = 'nyp1'\n ELSE ! preserve Arakawa-C staggering\n g_latu%dimnames(2) = 'ny'\n ENDIF\n g_latu%istart(1) = 1\n g_latu%istart(2) = 1\n g_latu%iend(1) = nxp1\n IF ( ioform == 1 ) THEN ! M3IO -- keep false dot points\n g_latu%iend(2) = nyp1\n ELSE ! preserve Arakawa-C staggering\n g_latu%iend(2) = ny\n ENDIF\n\n g_lonu%fld = fillreal\n g_lonu%fldname = 'LONU'\n g_lonu%long_name = 'longitude at cell U faces'\n g_lonu%units = 'degrees_east'\n g_lonu%dimnames(1) = 'nxp1'\n IF ( ioform == 1 ) THEN ! M3IO -- keep false dot points\n g_lonu%dimnames(2) = 'nyp1'\n ELSE ! preserve Arakawa-C staggering\n g_lonu%dimnames(2) = 'ny'\n ENDIF\n g_lonu%istart(1) = 1\n g_lonu%istart(2) = 1\n g_lonu%iend(1) = nxp1\n IF ( ioform == 1 ) THEN ! M3IO -- keep false dot points\n g_lonu%iend(2) = nyp1\n ELSE ! preserve Arakawa-C staggering\n g_lonu%iend(2) = ny\n ENDIF\n\n g_msfu2%fld = fillreal\n g_msfu2%fldname = 'MSFU2'\n g_msfu2%long_name = 'squared map-scale factor at cell U faces'\n g_msfu2%units = 'm2 m-2'\n g_msfu2%dimnames(1) = 'nxp1'\n IF ( ioform == 1 ) THEN ! M3IO -- keep false dot points\n g_msfu2%dimnames(2) = 'nyp1'\n ELSE ! preserve Arakawa-C staggering\n g_msfu2%dimnames(2) = 'ny'\n ENDIF\n g_msfu2%istart(1) = 1\n g_msfu2%istart(2) = 1\n g_msfu2%iend(1) = nxp1\n IF ( ioform == 1 ) THEN ! M3IO -- keep false dot points\n g_msfu2%iend(2) = nyp1\n ELSE ! preserve Arakawa-C staggering\n g_msfu2%iend(2) = ny\n ENDIF\n\n g_latv%fld = fillreal\n g_latv%fldname = 'LATV'\n g_latv%long_name = 'latitude at cell V faces'\n g_latv%units = 'degrees_north'\n IF ( ioform == 1 ) THEN ! M3IO -- keep false dot points\n g_latv%dimnames(1) = 'nxp1'\n ELSE ! preserve Arakawa-C staggering\n g_latv%dimnames(1) = 'nx'\n ENDIF\n g_latv%dimnames(2) = 'nyp1'\n g_latv%istart(1) = 1\n g_latv%istart(2) = 1\n IF ( ioform == 1 ) THEN ! M3IO -- keep false dot points\n g_latv%iend(1) = nxp1\n ELSE ! preserve Arakawa-C staggering\n g_latv%iend(1) = nx\n ENDIF\n g_latv%iend(2) = nyp1\n\n g_lonv%fld = fillreal\n g_lonv%fldname = 'LONV'\n g_lonv%long_name = 'longitude at cell V faces'\n g_lonv%units = 'degrees_east'\n IF ( ioform == 1 ) THEN ! M3IO -- keep false dot points\n g_lonv%dimnames(1) = 'nxp1'\n ELSE ! preserve Arakawa-C staggering\n g_lonv%dimnames(1) = 'nx'\n ENDIF\n g_lonv%dimnames(2) = 'nyp1'\n g_lonv%istart(1) = 1\n g_lonv%istart(2) = 1\n IF ( ioform == 1 ) THEN ! M3IO -- keep false dot points\n g_lonv%iend(1) = nxp1\n ELSE ! preserve Arakawa-C staggering\n g_lonv%iend(1) = nx\n ENDIF\n g_lonv%iend(2) = nyp1\n\n g_msfv2%fld = fillreal\n g_msfv2%fldname = 'MSFV2'\n g_msfv2%long_name = 'squared map-scale factor at cell V faces'\n g_msfv2%units = 'm2 m-2'\n IF ( ioform == 1 ) THEN ! M3IO -- keep false dot points\n g_msfv2%dimnames(1) = 'nxp1'\n ELSE ! preserve Arakawa-C staggering\n g_msfv2%dimnames(1) = 'nx'\n ENDIF\n g_msfv2%dimnames(2) = 'nyp1'\n g_msfv2%istart(1) = 1\n g_msfv2%istart(2) = 1\n IF ( ioform == 1 ) THEN ! M3IO -- keep false dot points\n g_msfv2%iend(1) = nxp1\n ELSE ! preserve Arakawa-C staggering\n g_msfv2%iend(1) = nx\n ENDIF\n g_msfv2%iend(2) = nyp1\n\n!-------------------------------------------------------------------------------\n! Time-independent 3d fields (fractional land use) at cell centers.\n!-------------------------------------------------------------------------------\n\n IF ( iflufrc ) THEN\n g_lufrac%fld = fillreal\n g_lufrac%fldname = 'LUFRAC'\n g_lufrac%long_name = 'fractional land use'\n g_lufrac%units = 'percent'\n g_lufrac%dimnames(1) = 'nx'\n g_lufrac%dimnames(2) = 'ny'\n g_lufrac%dimnames(3) = 'nlucat'\n g_lufrac%istart(1) = 1\n g_lufrac%istart(2) = 1\n g_lufrac%istart(3) = 1\n g_lufrac%iend(1) = nx\n g_lufrac%iend(2) = ny\n g_lufrac%iend(3) = nummetlu\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Time-varying 2d fields at cell centers.\n!-------------------------------------------------------------------------------\n\n c_prsfc%fld = fillreal\n c_prsfc%fldname = 'PRSFC'\n c_prsfc%long_name = 'surface pressure'\n c_prsfc%units = 'Pa'\n c_prsfc%dimnames(1) = 'nx'\n c_prsfc%dimnames(2) = 'ny'\n c_prsfc%istart(1) = 1\n c_prsfc%istart(2) = 1\n c_prsfc%iend(1) = nx\n c_prsfc%iend(2) = ny\n\n c_ustar%fld = fillreal\n c_ustar%fldname = 'USTAR'\n c_ustar%long_name = 'cell averaged friction velocity'\n c_ustar%units = 'm s-1'\n c_ustar%dimnames(1) = 'nx'\n c_ustar%dimnames(2) = 'ny'\n c_ustar%istart(1) = 1\n c_ustar%istart(2) = 1\n c_ustar%iend(1) = nx\n c_ustar%iend(2) = ny\n\n c_wstar%fld = fillreal\n c_wstar%fldname = 'WSTAR'\n c_wstar%long_name = 'convective velocity scale'\n c_wstar%units = 'm s-1'\n c_wstar%dimnames(1) = 'nx'\n c_wstar%dimnames(2) = 'ny'\n c_wstar%istart(1) = 1\n c_wstar%istart(2) = 1\n c_wstar%iend(1) = nx\n c_wstar%iend(2) = ny\n\n c_pbl%fld = fillreal\n c_pbl%fldname = 'PBL'\n c_pbl%long_name = 'PBL height'\n c_pbl%units = 'm'\n c_pbl%dimnames(1) = 'nx'\n c_pbl%dimnames(2) = 'ny'\n c_pbl%istart(1) = 1\n c_pbl%istart(2) = 1\n c_pbl%iend(1) = nx\n c_pbl%iend(2) = ny\n\n c_zruf%fld = fillreal\n c_zruf%fldname = 'ZRUF'\n c_zruf%long_name = 'surface roughness length'\n c_zruf%units = 'm'\n c_zruf%dimnames(1) = 'nx'\n c_zruf%dimnames(2) = 'ny'\n c_zruf%istart(1) = 1\n c_zruf%istart(2) = 1\n c_zruf%iend(1) = nx\n c_zruf%iend(2) = ny\n\n c_moli%fld = fillreal\n c_moli%fldname = 'MOLI'\n c_moli%long_name = 'inverse of Monin-Obukhov length'\n c_moli%units = 'm-1'\n c_moli%dimnames(1) = 'nx'\n c_moli%dimnames(2) = 'ny'\n c_moli%istart(1) = 1\n c_moli%istart(2) = 1\n c_moli%iend(1) = nx\n c_moli%iend(2) = ny\n\n c_hfx%fld = fillreal\n c_hfx%fldname = 'HFX'\n c_hfx%long_name = 'sensible heat flux'\n c_hfx%units = 'W m-2'\n c_hfx%dimnames(1) = 'nx'\n c_hfx%dimnames(2) = 'ny'\n c_hfx%istart(1) = 1\n c_hfx%istart(2) = 1\n c_hfx%iend(1) = nx\n c_hfx%iend(2) = ny\n\n c_lh%fld = fillreal\n c_lh%fldname = 'LH'\n c_lh%long_name = 'latent heat flux'\n c_lh%units = 'W m-2'\n c_lh%dimnames(1) = 'nx'\n c_lh%dimnames(2) = 'ny'\n c_lh%istart(1) = 1\n c_lh%istart(2) = 1\n c_lh%iend(1) = nx\n c_lh%iend(2) = ny\n\n c_radyni%fld = fillreal\n c_radyni%fldname = 'RADYNI'\n c_radyni%long_name = 'inverse of aerodynamic resistance'\n c_radyni%units = 'm s-1'\n c_radyni%dimnames(1) = 'nx'\n c_radyni%dimnames(2) = 'ny'\n c_radyni%istart(1) = 1\n c_radyni%istart(2) = 1\n c_radyni%iend(1) = nx\n c_radyni%iend(2) = ny\n\n c_rstomi%fld = fillreal\n c_rstomi%fldname = 'RSTOMI'\n c_rstomi%long_name = 'inverse of stomatic resistance'\n c_rstomi%units = 'm s-1'\n c_rstomi%dimnames(1) = 'nx'\n c_rstomi%dimnames(2) = 'ny'\n c_rstomi%istart(1) = 1\n c_rstomi%istart(2) = 1\n c_rstomi%iend(1) = nx\n c_rstomi%iend(2) = ny\n\n c_tempg%fld = fillreal\n c_tempg%fldname = 'TEMPG'\n c_tempg%long_name = 'skin temperature at ground'\n c_tempg%units = 'K'\n c_tempg%dimnames(1) = 'nx'\n c_tempg%dimnames(2) = 'ny'\n c_tempg%istart(1) = 1\n c_tempg%istart(2) = 1\n c_tempg%iend(1) = nx\n c_tempg%iend(2) = ny\n\n c_temp2%fld = fillreal\n c_temp2%fldname = 'TEMP2'\n c_temp2%long_name = 'temperature at 2 m'\n c_temp2%units = 'K'\n c_temp2%dimnames(1) = 'nx'\n c_temp2%dimnames(2) = 'ny'\n c_temp2%istart(1) = 1\n c_temp2%istart(2) = 1\n c_temp2%iend(1) = nx\n c_temp2%iend(2) = ny\n\n c_q2%fld = fillreal\n c_q2%fldname = 'Q2'\n c_q2%long_name = 'mixing ratio at 2 m'\n c_q2%units = 'kg kg-1'\n c_q2%dimnames(1) = 'nx'\n c_q2%dimnames(2) = 'ny'\n c_q2%istart(1) = 1\n c_q2%istart(2) = 1\n c_q2%iend(1) = nx\n c_q2%iend(2) = ny\n\n c_wspd10%fld = fillreal\n c_wspd10%fldname = 'WSPD10'\n c_wspd10%long_name = 'wind speed at 10 m'\n c_wspd10%units = 'm s-1'\n c_wspd10%dimnames(1) = 'nx'\n c_wspd10%dimnames(2) = 'ny'\n c_wspd10%istart(1) = 1\n c_wspd10%istart(2) = 1\n c_wspd10%iend(1) = nx\n c_wspd10%iend(2) = ny\n\n c_wdir10%fld = fillreal\n c_wdir10%fldname = 'WDIR10'\n c_wdir10%long_name = 'wind direction at 10 m'\n c_wdir10%units = 'degree'\n c_wdir10%dimnames(1) = 'nx'\n c_wdir10%dimnames(2) = 'ny'\n c_wdir10%istart(1) = 1\n c_wdir10%istart(2) = 1\n c_wdir10%iend(1) = nx\n c_wdir10%iend(2) = ny\n\n c_glw%fld = fillreal\n c_glw%fldname = 'GLW'\n c_glw%long_name = 'longwave radiation at ground'\n c_glw%units = 'W m-2'\n c_glw%dimnames(1) = 'nx'\n c_glw%dimnames(2) = 'ny'\n c_glw%istart(1) = 1\n c_glw%istart(2) = 1\n c_glw%iend(1) = nx\n c_glw%iend(2) = ny\n\n c_gsw%fld = fillreal\n c_gsw%fldname = 'GSW'\n c_gsw%long_name = 'solar radiation absorbed at ground'\n c_gsw%units = 'W m-2'\n c_gsw%dimnames(1) = 'nx'\n c_gsw%dimnames(2) = 'ny'\n c_gsw%istart(1) = 1\n c_gsw%istart(2) = 1\n c_gsw%iend(1) = nx\n c_gsw%iend(2) = ny\n\n c_rgrnd%fld = fillreal\n c_rgrnd%fldname = 'RGRND'\n c_rgrnd%long_name = 'solar radiation reaching ground'\n c_rgrnd%units = 'W m-2'\n c_rgrnd%dimnames(1) = 'nx'\n c_rgrnd%dimnames(2) = 'ny'\n c_rgrnd%istart(1) = 1\n c_rgrnd%istart(2) = 1\n c_rgrnd%iend(1) = nx\n c_rgrnd%iend(2) = ny\n\n c_rn%fld = fillreal\n c_rn%fldname = 'RN'\n c_rn%long_name = 'nonconvective precipitation in interval'\n c_rn%units = 'cm'\n c_rn%dimnames(1) = 'nx'\n c_rn%dimnames(2) = 'ny'\n c_rn%istart(1) = 1\n c_rn%istart(2) = 1\n c_rn%iend(1) = nx\n c_rn%iend(2) = ny\n\n c_rc%fld = fillreal\n c_rc%fldname = 'RC'\n c_rc%long_name = 'convective precipitation in interval'\n c_rc%units = 'cm'\n c_rc%dimnames(1) = 'nx'\n c_rc%dimnames(2) = 'ny'\n c_rc%istart(1) = 1\n c_rc%istart(2) = 1\n c_rc%iend(1) = nx\n c_rc%iend(2) = ny\n\n c_cfrac%fld = fillreal\n c_cfrac%fldname = 'CFRAC'\n c_cfrac%long_name = 'total cloud fraction'\n c_cfrac%units = '1'\n c_cfrac%dimnames(1) = 'nx'\n c_cfrac%dimnames(2) = 'ny'\n c_cfrac%istart(1) = 1\n c_cfrac%istart(2) = 1\n c_cfrac%iend(1) = nx\n c_cfrac%iend(2) = ny\n\n c_cldt%fld = fillreal\n c_cldt%fldname = 'CLDT'\n c_cldt%long_name = 'cloud top layer height'\n c_cldt%units = 'm'\n c_cldt%dimnames(1) = 'nx'\n c_cldt%dimnames(2) = 'ny'\n c_cldt%istart(1) = 1\n c_cldt%istart(2) = 1\n c_cldt%iend(1) = nx\n c_cldt%iend(2) = ny\n\n c_cldb%fld = fillreal\n c_cldb%fldname = 'CLDB'\n c_cldb%long_name = 'cloud bottom layer height'\n c_cldb%units = 'm'\n c_cldb%dimnames(1) = 'nx'\n c_cldb%dimnames(2) = 'ny'\n c_cldb%istart(1) = 1\n c_cldb%istart(2) = 1\n c_cldb%iend(1) = nx\n c_cldb%iend(2) = ny\n\n c_wbar%fld = fillreal\n c_wbar%fldname = 'WBAR'\n c_wbar%long_name = 'average liquid water content of cloud'\n c_wbar%units = 'g m-3'\n c_wbar%dimnames(1) = 'nx'\n c_wbar%dimnames(2) = 'ny'\n c_wbar%istart(1) = 1\n c_wbar%istart(2) = 1\n c_wbar%iend(1) = nx\n c_wbar%iend(2) = ny\n\n c_snocov%fld = fillreal\n c_snocov%fldname = 'SNOCOV'\n c_snocov%long_name = 'snow cover'\n c_snocov%units = '1'\n c_snocov%dimnames(1) = 'nx'\n c_snocov%dimnames(2) = 'ny'\n c_snocov%istart(1) = 1\n c_snocov%istart(2) = 1\n c_snocov%iend(1) = nx\n c_snocov%iend(2) = ny\n\n c_veg%fld = fillreal\n c_veg%fldname = 'VEG'\n c_veg%long_name = 'vegetation coverage'\n c_veg%units = '1'\n c_veg%dimnames(1) = 'nx'\n c_veg%dimnames(2) = 'ny'\n c_veg%istart(1) = 1\n c_veg%istart(2) = 1\n c_veg%iend(1) = nx\n c_veg%iend(2) = ny\n\n c_lai%fld = fillreal\n c_lai%fldname = 'LAI'\n IF ( ifpxwrf41 ) THEN\n c_lai%long_name = 'leaf-area index from PX LSM'\n ELSE\n c_lai%long_name = 'leaf-area index'\n ENDIF\n c_lai%units = 'm2 m-2'\n c_lai%dimnames(1) = 'nx'\n c_lai%dimnames(2) = 'ny'\n c_lai%istart(1) = 1\n c_lai%istart(2) = 1\n c_lai%iend(1) = nx\n c_lai%iend(2) = ny\n\n c_seaice%fld = fillreal\n c_seaice%fldname = 'SEAICE'\n c_seaice%long_name = 'sea ice'\n c_seaice%units = '1'\n c_seaice%dimnames(1) = 'nx'\n c_seaice%dimnames(2) = 'ny'\n c_seaice%istart(1) = 1\n c_seaice%istart(2) = 1\n c_seaice%iend(1) = nx\n c_seaice%iend(2) = ny\n\n c_snowh%fld = fillreal\n c_snowh%fldname = 'SNOWH'\n c_snowh%long_name = 'snow height'\n c_snowh%units = 'm'\n c_snowh%dimnames(1) = 'nx'\n c_snowh%dimnames(2) = 'ny'\n c_snowh%istart(1) = 1\n c_snowh%istart(2) = 1\n c_snowh%iend(1) = nx\n c_snowh%iend(2) = ny\n\n IF ( ifwr ) THEN\n c_wr%fld = fillreal\n c_wr%fldname = 'WR'\n c_wr%long_name = 'canopy moisture content'\n c_wr%units = 'm'\n c_wr%dimnames(1) = 'nx'\n c_wr%dimnames(2) = 'ny'\n c_wr%istart(1) = 1\n c_wr%istart(2) = 1\n c_wr%iend(1) = nx\n c_wr%iend(2) = ny\n ENDIF\n\n IF ( ifsoil ) THEN\n c_soim1%fld = fillreal\n c_soim1%fldname = 'SOIM1'\n c_soim1%long_name = 'volumetric soil moisture in top cm'\n c_soim1%units = 'm3 m-3'\n c_soim1%dimnames(1) = 'nx'\n c_soim1%dimnames(2) = 'ny'\n c_soim1%istart(1) = 1\n c_soim1%istart(2) = 1\n c_soim1%iend(1) = nx\n c_soim1%iend(2) = ny\n\n c_soim2%fld = fillreal\n c_soim2%fldname = 'SOIM2'\n c_soim2%long_name = 'volumetric soil moisture in top m'\n c_soim2%units = 'm3 m-3'\n c_soim2%dimnames(1) = 'nx'\n c_soim2%dimnames(2) = 'ny'\n c_soim2%istart(1) = 1\n c_soim2%istart(2) = 1\n c_soim2%iend(1) = nx\n c_soim2%iend(2) = ny\n\n c_soit1%fld = fillreal\n c_soit1%fldname = 'SOIT1'\n c_soit1%long_name = 'soil temperature in top cm'\n c_soit1%units = 'K'\n c_soit1%dimnames(1) = 'nx'\n c_soit1%dimnames(2) = 'ny'\n c_soit1%istart(1) = 1\n c_soit1%istart(2) = 1\n c_soit1%iend(1) = nx\n c_soit1%iend(2) = ny\n\n c_soit2%fld = fillreal\n c_soit2%fldname = 'SOIT2'\n c_soit2%long_name = 'soil temperature in top m'\n c_soit2%units = 'K'\n c_soit2%dimnames(1) = 'nx'\n c_soit2%dimnames(2) = 'ny'\n c_soit2%istart(1) = 1\n c_soit2%istart(2) = 1\n c_soit2%iend(1) = nx\n c_soit2%iend(2) = ny\n\n c_sltyp%fld = fillreal\n c_sltyp%fldname = 'SLTYP'\n c_sltyp%long_name = 'soil texture type by USDA category'\n c_sltyp%units = '1'\n c_sltyp%dimnames(1) = 'nx'\n c_sltyp%dimnames(2) = 'ny'\n c_sltyp%istart(1) = 1\n c_sltyp%istart(2) = 1\n c_sltyp%iend(1) = nx\n c_sltyp%iend(2) = ny\n ENDIF ! ifsoil\n\n IF ( ifpxwrf41 ) THEN\n c_wsat_px%fld = fillreal\n c_wsat_px%fldname = 'WSAT_PX'\n c_wsat_px%long_name = 'soil saturation from PX LSM'\n c_wsat_px%units = 'm3 m-3'\n c_wsat_px%dimnames(1) = 'nx'\n c_wsat_px%dimnames(2) = 'ny'\n c_wsat_px%istart(1) = 1\n c_wsat_px%istart(2) = 1\n c_wsat_px%iend(1) = nx\n c_wsat_px%iend(2) = ny\n\n c_wfc_px%fld = fillreal\n c_wfc_px%fldname = 'WFC_PX'\n c_wfc_px%long_name = 'soil field capacity from PX LSM'\n c_wfc_px%units = 'm3 m-3'\n c_wfc_px%dimnames(1) = 'nx'\n c_wfc_px%dimnames(2) = 'ny'\n c_wfc_px%istart(1) = 1\n c_wfc_px%istart(2) = 1\n c_wfc_px%iend(1) = nx\n c_wfc_px%iend(2) = ny\n\n c_wwlt_px%fld = fillreal\n c_wwlt_px%fldname = 'WWLT_PX'\n c_wwlt_px%long_name = 'soil wilting point from PX LSM'\n c_wwlt_px%units = 'm3 m-3'\n c_wwlt_px%dimnames(1) = 'nx'\n c_wwlt_px%dimnames(2) = 'ny'\n c_wwlt_px%istart(1) = 1\n c_wwlt_px%istart(2) = 1\n c_wwlt_px%iend(1) = nx\n c_wwlt_px%iend(2) = ny\n\n c_csand_px%fld = fillreal\n c_csand_px%fldname = 'CSAND_PX'\n c_csand_px%long_name = 'coarse sand from PX LSM'\n c_csand_px%units = '1'\n c_csand_px%dimnames(1) = 'nx'\n c_csand_px%dimnames(2) = 'ny'\n c_csand_px%istart(1) = 1\n c_csand_px%istart(2) = 1\n c_csand_px%iend(1) = nx\n c_csand_px%iend(2) = ny\n\n c_fmsand_px%fld = fillreal\n c_fmsand_px%fldname = 'FMSAND_PX'\n c_fmsand_px%long_name = 'fine-medium sand from PX LSM'\n c_fmsand_px%units = '1'\n c_fmsand_px%dimnames(1) = 'nx'\n c_fmsand_px%dimnames(2) = 'ny'\n c_fmsand_px%istart(1) = 1\n c_fmsand_px%istart(2) = 1\n c_fmsand_px%iend(1) = nx\n c_fmsand_px%iend(2) = ny\n\n c_clay_px%fld = fillreal\n c_clay_px%fldname = 'CLAY_PX'\n c_clay_px%long_name = 'clay from PX LSM'\n c_clay_px%units = '1'\n c_clay_px%dimnames(1) = 'nx'\n c_clay_px%dimnames(2) = 'ny'\n c_clay_px%istart(1) = 1\n c_clay_px%istart(2) = 1\n c_clay_px%iend(1) = nx\n c_clay_px%iend(2) = ny\n ENDIF ! ifpxwrf41\n\n!-------------------------------------------------------------------------------\n! Time-varying 3d fields at cell centers.\n!-------------------------------------------------------------------------------\n\n c_jacobf%fld = fillreal\n c_jacobf%bdy = fillreal\n c_jacobf%fldname = 'JACOBF'\n c_jacobf%long_name = 'Jacobian at layer face scaled by MSFX2'\n c_jacobf%units = 'm'\n c_jacobf%dimnames(1) = 'nx'\n c_jacobf%dimnames(2) = 'ny'\n c_jacobf%dimnames(3) = 'nz'\n c_jacobf%istart(1) = 1\n c_jacobf%istart(2) = 1\n c_jacobf%istart(3) = 1\n c_jacobf%iend(1) = nx\n c_jacobf%iend(2) = ny\n c_jacobf%iend(3) = nz\n c_jacobf%dimnames_b(1) = 'nperim'\n c_jacobf%dimnames_b(2) = 'nz'\n c_jacobf%istart_b(1) = 1\n c_jacobf%istart_b(2) = 1\n c_jacobf%iend_b(1) = nperim\n c_jacobf%iend_b(2) = nz\n\n c_jacobm%fld = fillreal\n c_jacobm%bdy = fillreal\n c_jacobm%fldname = 'JACOBM'\n c_jacobm%long_name = 'Jacobian at layer middle scaled by MSFX2'\n c_jacobm%units = 'm'\n c_jacobm%dimnames(1) = 'nx'\n c_jacobm%dimnames(2) = 'ny'\n c_jacobm%dimnames(3) = 'nz'\n c_jacobm%istart(1) = 1\n c_jacobm%istart(2) = 1\n c_jacobm%istart(3) = 1\n c_jacobm%iend(1) = nx\n c_jacobm%iend(2) = ny\n c_jacobm%iend(3) = nz\n c_jacobm%dimnames_b(1) = 'nperim'\n c_jacobm%dimnames_b(2) = 'nz'\n c_jacobm%istart_b(1) = 1\n c_jacobm%istart_b(2) = 1\n c_jacobm%iend_b(1) = nperim\n c_jacobm%iend_b(2) = nz\n\n c_densa_j%fld = fillreal\n c_densa_j%bdy = fillreal\n c_densa_j%fldname = 'DENSA_J'\n c_densa_j%long_name = 'J-weighted air density (dry) scaled by MSFX2'\n c_densa_j%units = 'kg m-2'\n c_densa_j%dimnames(1) = 'nx'\n c_densa_j%dimnames(2) = 'ny'\n c_densa_j%dimnames(3) = 'nz'\n c_densa_j%istart(1) = 1\n c_densa_j%istart(2) = 1\n c_densa_j%istart(3) = 1\n c_densa_j%iend(1) = nx\n c_densa_j%iend(2) = ny\n c_densa_j%iend(3) = nz\n c_densa_j%dimnames_b(1) = 'nperim'\n c_densa_j%dimnames_b(2) = 'nz'\n c_densa_j%istart_b(1) = 1\n c_densa_j%istart_b(2) = 1\n c_densa_j%iend_b(1) = nperim\n c_densa_j%iend_b(2) = nz\n\n c_what_jd%fld = fillreal\n c_what_jd%bdy = fillreal\n c_what_jd%fldname = 'WHAT_JD'\n c_what_jd%long_name = 'J- and density weighted vert contravariant-W'\n c_what_jd%units = 'kg m-1 s-1'\n c_what_jd%dimnames(1) = 'nx'\n c_what_jd%dimnames(2) = 'ny'\n c_what_jd%dimnames(3) = 'nz'\n c_what_jd%istart(1) = 1\n c_what_jd%istart(2) = 1\n c_what_jd%istart(3) = 1\n c_what_jd%iend(1) = nx\n c_what_jd%iend(2) = ny\n c_what_jd%iend(3) = nz\n c_what_jd%dimnames_b(1) = 'nperim'\n c_what_jd%dimnames_b(2) = 'nz'\n c_what_jd%istart_b(1) = 1\n c_what_jd%istart_b(2) = 1\n c_what_jd%iend_b(1) = nperim\n c_what_jd%iend_b(2) = nz\n\n c_ta%fld = fillreal\n c_ta%bdy = fillreal\n c_ta%fldname = 'TA'\n c_ta%long_name = 'air temperature'\n c_ta%units = 'K'\n c_ta%dimnames(1) = 'nx'\n c_ta%dimnames(2) = 'ny'\n c_ta%dimnames(3) = 'nz'\n c_ta%istart(1) = 1\n c_ta%istart(2) = 1\n c_ta%istart(3) = 1\n c_ta%iend(1) = nx\n c_ta%iend(2) = ny\n c_ta%iend(3) = nz\n c_ta%dimnames_b(1) = 'nperim'\n c_ta%dimnames_b(2) = 'nz'\n c_ta%istart_b(1) = 1\n c_ta%istart_b(2) = 1\n c_ta%iend_b(1) = nperim\n c_ta%iend_b(2) = nz\n\n c_qv%fld = fillreal\n c_qv%bdy = fillreal\n c_qv%fldname = 'QV'\n c_qv%long_name = 'water vapor mixing ratio'\n c_qv%units = 'kg kg-1'\n c_qv%dimnames(1) = 'nx'\n c_qv%dimnames(2) = 'ny'\n c_qv%dimnames(3) = 'nz'\n c_qv%istart(1) = 1\n c_qv%istart(2) = 1\n c_qv%istart(3) = 1\n c_qv%iend(1) = nx\n c_qv%iend(2) = ny\n c_qv%iend(3) = nz\n c_qv%dimnames_b(1) = 'nperim'\n c_qv%dimnames_b(2) = 'nz'\n c_qv%istart_b(1) = 1\n c_qv%istart_b(2) = 1\n c_qv%iend_b(1) = nperim\n c_qv%iend_b(2) = nz\n\n c_pres%fld = fillreal\n c_pres%bdy = fillreal\n c_pres%fldname = 'PRES'\n c_pres%long_name = 'pressure'\n c_pres%units = 'Pa'\n c_pres%dimnames(1) = 'nx'\n c_pres%dimnames(2) = 'ny'\n c_pres%dimnames(3) = 'nz'\n c_pres%istart(1) = 1\n c_pres%istart(2) = 1\n c_pres%istart(3) = 1\n c_pres%iend(1) = nx\n c_pres%iend(2) = ny\n c_pres%iend(3) = nz\n c_pres%dimnames_b(1) = 'nperim'\n c_pres%dimnames_b(2) = 'nz'\n c_pres%istart_b(1) = 1\n c_pres%istart_b(2) = 1\n c_pres%iend_b(1) = nperim\n c_pres%iend_b(2) = nz\n\n c_dens%fld = fillreal\n c_dens%bdy = fillreal\n c_dens%fldname = 'DENS'\n c_dens%long_name = 'density of air (dry)'\n c_dens%units = 'kg m-3'\n c_dens%dimnames(1) = 'nx'\n c_dens%dimnames(2) = 'ny'\n c_dens%dimnames(3) = 'nz'\n c_dens%istart(1) = 1\n c_dens%istart(2) = 1\n c_dens%istart(3) = 1\n c_dens%iend(1) = nx\n c_dens%iend(2) = ny\n c_dens%iend(3) = nz\n c_dens%dimnames_b(1) = 'nperim'\n c_dens%dimnames_b(2) = 'nz'\n c_dens%istart_b(1) = 1\n c_dens%istart_b(2) = 1\n c_dens%iend_b(1) = nperim\n c_dens%iend_b(2) = nz\n\n c_zh%fld = fillreal\n c_zh%bdy = fillreal\n c_zh%fldname = 'ZH'\n c_zh%long_name = 'mid-layer height above ground'\n c_zh%units = 'm'\n c_zh%dimnames(1) = 'nx'\n c_zh%dimnames(2) = 'ny'\n c_zh%dimnames(3) = 'nz'\n c_zh%istart(1) = 1\n c_zh%istart(2) = 1\n c_zh%istart(3) = 1\n c_zh%iend(1) = nx\n c_zh%iend(2) = ny\n c_zh%iend(3) = nz\n c_zh%dimnames_b(1) = 'nperim'\n c_zh%dimnames_b(2) = 'nz'\n c_zh%istart_b(1) = 1\n c_zh%istart_b(2) = 1\n c_zh%iend_b(1) = nperim\n c_zh%iend_b(2) = nz\n\n c_zf%fld = fillreal\n c_zf%bdy = fillreal\n c_zf%fldname = 'ZF'\n c_zf%long_name = 'full-layer height above ground'\n c_zf%units = 'm'\n c_zf%dimnames(1) = 'nx'\n c_zf%dimnames(2) = 'ny'\n c_zf%dimnames(3) = 'nz'\n c_zf%istart(1) = 1\n c_zf%istart(2) = 1\n c_zf%istart(3) = 1\n c_zf%iend(1) = nx\n c_zf%iend(2) = ny\n c_zf%iend(3) = nz\n c_zf%dimnames_b(1) = 'nperim'\n c_zf%dimnames_b(2) = 'nz'\n c_zf%istart_b(1) = 1\n c_zf%istart_b(2) = 1\n c_zf%iend_b(1) = nperim\n c_zf%iend_b(2) = nz\n\n IF ( iftke ) THEN\n c_tke%fld = fillreal\n c_tke%bdy = fillreal\n IF ( iftkef ) THEN\n c_tke%fldname = 'TKEF'\n c_tke%long_name = 'turbulent kinetic energy on full-levels'\n ELSE\n c_tke%fldname = 'TKE'\n c_tke%long_name = 'turbulent kinetic energy on half-layers'\n ENDIF\n c_tke%units = 'J kg-1'\n c_tke%dimnames(1) = 'nx'\n c_tke%dimnames(2) = 'ny'\n c_tke%dimnames(3) = 'nz'\n c_tke%istart(1) = 1\n c_tke%istart(2) = 1\n c_tke%istart(3) = 1\n c_tke%iend(1) = nx\n c_tke%iend(2) = ny\n c_tke%iend(3) = nz\n c_tke%dimnames_b(1) = 'nperim'\n c_tke%dimnames_b(2) = 'nz'\n c_tke%istart_b(1) = 1\n c_tke%istart_b(2) = 1\n c_tke%iend_b(1) = nperim\n c_tke%iend_b(2) = nz\n ENDIF\n\n IF ( lpv > 0 ) THEN\n c_pv%fld = fillreal\n c_pv%bdy = fillreal\n c_pv%fldname = 'PV'\n c_pv%long_name = 'potential vorticity (m2 K kg-1 s-1 * E-6)'\n c_pv%units = 'm2 K mg-1 s-1' ! <-- use scale_factor to change mg to kg\n c_pv%dimnames(1) = 'nx'\n c_pv%dimnames(2) = 'ny'\n c_pv%dimnames(3) = 'nz'\n c_pv%istart(1) = 1\n c_pv%istart(2) = 1\n c_pv%istart(3) = 1\n c_pv%iend(1) = nx\n c_pv%iend(2) = ny\n c_pv%iend(3) = nz\n c_pv%dimnames_b(1) = 'nperim'\n c_pv%dimnames_b(2) = 'nz'\n c_pv%istart_b(1) = 1\n c_pv%istart_b(2) = 1\n c_pv%iend_b(1) = nperim\n c_pv%iend_b(2) = nz\n ENDIF\n\n IF ( lwout > 0 ) THEN\n c_wwind%fld = fillreal\n c_wwind%bdy = fillreal\n c_wwind%fldname = 'WWIND'\n c_wwind%long_name = 'vertical velocity'\n c_wwind%units = 'm s-1'\n c_wwind%dimnames(1) = 'nx'\n c_wwind%dimnames(2) = 'ny'\n c_wwind%dimnames(3) = 'nz'\n c_wwind%istart(1) = 1\n c_wwind%istart(2) = 1\n c_wwind%istart(3) = 1\n c_wwind%iend(1) = nx\n c_wwind%iend(2) = ny\n c_wwind%iend(3) = nz\n c_wwind%dimnames_b(1) = 'nperim'\n c_wwind%dimnames_b(2) = 'nz'\n c_wwind%istart_b(1) = 1\n c_wwind%istart_b(2) = 1\n c_wwind%iend_b(1) = nperim\n c_wwind%iend_b(2) = nz\n ENDIF\n\n IF ( ifcld3d ) THEN\n c_cfrac_3d%fld = fillreal\n c_cfrac_3d%bdy = fillreal\n c_cfrac_3d%fldname = 'CFRAC_3D'\n c_cfrac_3d%long_name = '3D resolved cloud fraction'\n c_cfrac_3d%units = '1'\n c_cfrac_3d%dimnames(1) = 'nx'\n c_cfrac_3d%dimnames(2) = 'ny'\n c_cfrac_3d%dimnames(3) = 'nz'\n c_cfrac_3d%istart(1) = 1\n c_cfrac_3d%istart(2) = 1\n c_cfrac_3d%istart(3) = 1\n c_cfrac_3d%iend(1) = nx\n c_cfrac_3d%iend(2) = ny\n c_cfrac_3d%iend(3) = nz\n c_cfrac_3d%dimnames_b(1) = 'nperim'\n c_cfrac_3d%dimnames_b(2) = 'nz'\n c_cfrac_3d%istart_b(1) = 1\n c_cfrac_3d%istart_b(2) = 1\n c_cfrac_3d%iend_b(1) = nperim\n c_cfrac_3d%iend_b(2) = nz\n ENDIF\n\n IF ( nqspecies >= 2 ) THEN\n\n c_qc%fld = fillreal\n c_qc%bdy = fillreal\n c_qc%fldname = 'QC'\n c_qc%long_name = 'cloud water mixing ratio'\n c_qc%units = 'kg kg-1'\n c_qc%dimnames(1) = 'nx'\n c_qc%dimnames(2) = 'ny'\n c_qc%dimnames(3) = 'nz'\n c_qc%istart(1) = 1\n c_qc%istart(2) = 1\n c_qc%istart(3) = 1\n c_qc%iend(1) = nx\n c_qc%iend(2) = ny\n c_qc%iend(3) = nz\n c_qc%dimnames_b(1) = 'nperim'\n c_qc%dimnames_b(2) = 'nz'\n c_qc%istart_b(1) = 1\n c_qc%istart_b(2) = 1\n c_qc%iend_b(1) = nperim\n c_qc%iend_b(2) = nz\n\n c_qr%fld = fillreal\n c_qr%bdy = fillreal\n c_qr%fldname = 'QR'\n c_qr%long_name = 'rain water mixing ratio'\n c_qr%units = 'kg kg-1'\n c_qr%dimnames(1) = 'nx'\n c_qr%dimnames(2) = 'ny'\n c_qr%dimnames(3) = 'nz'\n c_qr%istart(1) = 1\n c_qr%istart(2) = 1\n c_qr%istart(3) = 1\n c_qr%iend(1) = nx\n c_qr%iend(2) = ny\n c_qr%iend(3) = nz\n c_qr%dimnames_b(1) = 'nperim'\n c_qr%dimnames_b(2) = 'nz'\n c_qr%istart_b(1) = 1\n c_qr%istart_b(2) = 1\n c_qr%iend_b(1) = nperim\n c_qr%iend_b(2) = nz\n\n IF ( nqspecies >= 4 ) THEN\n c_qi%fld = fillreal\n c_qi%bdy = fillreal\n c_qi%fldname = 'QI'\n c_qi%long_name = 'ice mixing ratio'\n c_qi%units = 'kg kg-1'\n c_qi%dimnames(1) = 'nx'\n c_qi%dimnames(2) = 'ny'\n c_qi%dimnames(3) = 'nz'\n c_qi%istart(1) = 1\n c_qi%istart(2) = 1\n c_qi%istart(3) = 1\n c_qi%iend(1) = nx\n c_qi%iend(2) = ny\n c_qi%iend(3) = nz\n c_qi%dimnames_b(1) = 'nperim'\n c_qi%dimnames_b(2) = 'nz'\n c_qi%istart_b(1) = 1\n c_qi%istart_b(2) = 1\n c_qi%iend_b(1) = nperim\n c_qi%iend_b(2) = nz\n\n c_qs%fld = fillreal\n c_qs%bdy = fillreal\n c_qs%fldname = 'QS'\n c_qs%long_name = 'snow mixing ratio'\n c_qs%units = 'kg kg-1'\n c_qs%dimnames(1) = 'nx'\n c_qs%dimnames(2) = 'ny'\n c_qs%dimnames(3) = 'nz'\n c_qs%istart(1) = 1\n c_qs%istart(2) = 1\n c_qs%istart(3) = 1\n c_qs%iend(1) = nx\n c_qs%iend(2) = ny\n c_qs%iend(3) = nz\n c_qs%dimnames_b(1) = 'nperim'\n c_qs%dimnames_b(2) = 'nz'\n c_qs%istart_b(1) = 1\n c_qs%istart_b(2) = 1\n c_qs%iend_b(1) = nperim\n c_qs%iend_b(2) = nz\n\n IF ( nqspecies >= 5 ) THEN\n c_qg%fld = fillreal\n c_qg%bdy = fillreal\n c_qg%fldname = 'QG'\n c_qg%long_name = 'graupel mixing ratio'\n c_qg%units = 'kg kg-1'\n c_qg%dimnames(1) = 'nx'\n c_qg%dimnames(2) = 'ny'\n c_qg%dimnames(3) = 'nz'\n c_qg%istart(1) = 1\n c_qg%istart(2) = 1\n c_qg%istart(3) = 1\n c_qg%iend(1) = nx\n c_qg%iend(2) = ny\n c_qg%iend(3) = nz\n c_qg%dimnames_b(1) = 'nperim'\n c_qg%dimnames_b(2) = 'nz'\n c_qg%istart_b(1) = 1\n c_qg%istart_b(2) = 1\n c_qg%iend_b(1) = nperim\n c_qg%iend_b(2) = nz\n ENDIF\n\n IF ( ifkfradextras ) THEN\n\n c_qc_cu%fld = fillreal\n c_qc_cu%bdy = fillreal\n c_qc_cu%fldname = 'QC_CU'\n c_qc_cu%long_name = 'subgrid cloud water mixing ratio from KF'\n c_qc_cu%units = 'kg kg-1'\n c_qc_cu%dimnames(1) = 'nx'\n c_qc_cu%dimnames(2) = 'ny'\n c_qc_cu%dimnames(3) = 'nz'\n c_qc_cu%istart(1) = 1\n c_qc_cu%istart(2) = 1\n c_qc_cu%istart(3) = 1\n c_qc_cu%iend(1) = nx\n c_qc_cu%iend(2) = ny\n c_qc_cu%iend(3) = nz\n c_qc_cu%dimnames_b(1) = 'nperim'\n c_qc_cu%dimnames_b(2) = 'nz'\n c_qc_cu%istart_b(1) = 1\n c_qc_cu%istart_b(2) = 1\n c_qc_cu%iend_b(1) = nperim\n c_qc_cu%iend_b(2) = nz\n\n c_qi_cu%fld = fillreal\n c_qi_cu%bdy = fillreal\n c_qi_cu%fldname = 'QI_CU'\n c_qi_cu%long_name = 'subgrid cloud ice mixing ratio from KF'\n c_qi_cu%units = 'kg kg-1'\n c_qi_cu%dimnames(1) = 'nx'\n c_qi_cu%dimnames(2) = 'ny'\n c_qi_cu%dimnames(3) = 'nz'\n c_qi_cu%istart(1) = 1\n c_qi_cu%istart(2) = 1\n c_qi_cu%istart(3) = 1\n c_qi_cu%iend(1) = nx\n c_qi_cu%iend(2) = ny\n c_qi_cu%iend(3) = nz\n c_qi_cu%dimnames_b(1) = 'nperim'\n c_qi_cu%dimnames_b(2) = 'nz'\n c_qi_cu%istart_b(1) = 1\n c_qi_cu%istart_b(2) = 1\n c_qi_cu%iend_b(1) = nperim\n c_qi_cu%iend_b(2) = nz\n\n c_cldfra_dp%fld = fillreal\n c_cldfra_dp%bdy = fillreal\n c_cldfra_dp%fldname = 'CLDFRA_DP'\n c_cldfra_dp%long_name = 'subgrid deep cloud fraction'\n c_cldfra_dp%units = '1'\n c_cldfra_dp%dimnames(1) = 'nx'\n c_cldfra_dp%dimnames(2) = 'ny'\n c_cldfra_dp%dimnames(3) = 'nz'\n c_cldfra_dp%istart(1) = 1\n c_cldfra_dp%istart(2) = 1\n c_cldfra_dp%istart(3) = 1\n c_cldfra_dp%iend(1) = nx\n c_cldfra_dp%iend(2) = ny\n c_cldfra_dp%iend(3) = nz\n c_cldfra_dp%dimnames_b(1) = 'nperim'\n c_cldfra_dp%dimnames_b(2) = 'nz'\n c_cldfra_dp%istart_b(1) = 1\n c_cldfra_dp%istart_b(2) = 1\n c_cldfra_dp%iend_b(1) = nperim\n c_cldfra_dp%iend_b(2) = nz\n\n c_cldfra_sh%fld = fillreal\n c_cldfra_sh%bdy = fillreal\n c_cldfra_sh%fldname = 'CLDFRA_SH'\n c_cldfra_sh%long_name = 'subgrid shallow cloud fraction'\n c_cldfra_sh%units = '1'\n c_cldfra_sh%dimnames(1) = 'nx'\n c_cldfra_sh%dimnames(2) = 'ny'\n c_cldfra_sh%dimnames(3) = 'nz'\n c_cldfra_sh%istart(1) = 1\n c_cldfra_sh%istart(2) = 1\n c_cldfra_sh%istart(3) = 1\n c_cldfra_sh%iend(1) = nx\n c_cldfra_sh%iend(2) = ny\n c_cldfra_sh%iend(3) = nz\n c_cldfra_sh%dimnames_b(1) = 'nperim'\n c_cldfra_sh%dimnames_b(2) = 'nz'\n c_cldfra_sh%istart_b(1) = 1\n c_cldfra_sh%istart_b(2) = 1\n c_cldfra_sh%iend_b(1) = nperim\n c_cldfra_sh%iend_b(2) = nz\n\n ENDIF ! kfradextras\n\n ENDIF ! nqspecies >= 4\n\n ENDIF ! nqspecies >= 2\n\n!-------------------------------------------------------------------------------\n! Time-varying 3d fields at cell corners and cell faces.\n!-------------------------------------------------------------------------------\n\n c_uwindc%fld = fillreal\n c_uwindc%fldname = 'UWINDC'\n c_uwindc%long_name = 'U-comp. of true wind at W-E faces'\n c_uwindc%units = 'm s-1'\n c_uwindc%dimnames(1) = 'nxp1'\n IF ( ioform == 1 ) THEN ! M3IO -- keep false dot points\n c_uwindc%dimnames(2) = 'nyp1'\n ELSE ! preserve Arakawa-C staggering\n c_uwindc%dimnames(2) = 'ny'\n ENDIF\n c_uwindc%dimnames(3) = 'nz'\n c_uwindc%istart(1) = 1\n c_uwindc%istart(2) = 1\n c_uwindc%istart(3) = 1\n c_uwindc%iend(1) = nxp1\n IF ( ioform == 1 ) THEN ! M3IO -- keep false dot points\n c_uwindc%iend(2) = nyp1\n ELSE ! preserve Arakawa-C staggering\n c_uwindc%iend(2) = ny\n ENDIF\n c_uwindc%iend(3) = nz\n\n c_vwindc%fld = fillreal\n c_vwindc%fldname = 'VWINDC'\n c_vwindc%long_name = 'V-comp. of true wind at S-N faces'\n c_vwindc%units = 'm s-1'\n IF ( ioform == 1 ) THEN ! M3IO -- keep false dot points\n c_vwindc%dimnames(1) = 'nxp1'\n ELSE ! preserve Arakawa-C staggering\n c_vwindc%dimnames(1) = 'nx'\n ENDIF\n c_vwindc%dimnames(2) = 'nyp1'\n c_vwindc%dimnames(3) = 'nz'\n c_vwindc%istart(1) = 1\n c_vwindc%istart(2) = 1\n c_vwindc%istart(3) = 1\n IF ( ioform == 1 ) THEN ! M3IO -- keep false dot points\n c_vwindc%iend(1) = nxp1\n ELSE ! preserve Arakawa-C staggering\n c_vwindc%iend(1) = nx\n ENDIF\n c_vwindc%iend(2) = nyp1\n c_vwindc%iend(3) = nz\n\n c_uhat_jd%fld = fillreal\n c_uhat_jd%fldname = 'UHAT_JD'\n c_uhat_jd%long_name = '(contravariant_U*Jacobian*Density) at square pt'\n c_uhat_jd%units = 'kg m-1 s-1'\n c_uhat_jd%dimnames(1) = 'nxp1'\n IF ( ioform == 1 ) THEN ! M3IO -- keep false dot points\n c_uhat_jd%dimnames(2) = 'nyp1'\n ELSE ! preserve Arakawa-C staggering\n c_uhat_jd%dimnames(2) = 'ny'\n ENDIF\n c_uhat_jd%dimnames(3) = 'nz'\n c_uhat_jd%istart(1) = 1\n c_uhat_jd%istart(2) = 1\n c_uhat_jd%istart(3) = 1\n c_uhat_jd%iend(1) = nxp1\n IF ( ioform == 1 ) THEN ! M3IO -- keep false dot points\n c_uhat_jd%iend(2) = nyp1\n ELSE ! preserve Arakawa-C staggering\n c_uhat_jd%iend(2) = ny\n ENDIF\n c_uhat_jd%iend(3) = nz\n\n c_vhat_jd%fld = fillreal\n c_vhat_jd%fldname = 'VHAT_JD'\n c_vhat_jd%long_name = '(contravariant_V*Jacobian*Density) at triangle pt'\n c_vhat_jd%units = 'kg m-1 s-1'\n IF ( ioform == 1 ) THEN ! M3IO -- keep false dot points\n c_vhat_jd%dimnames(1) = 'nxp1'\n ELSE ! preserve Arakawa-C staggering\n c_vhat_jd%dimnames(1) = 'nx'\n ENDIF\n c_vhat_jd%dimnames(2) = 'nyp1'\n c_vhat_jd%dimnames(3) = 'nz'\n c_vhat_jd%istart(1) = 1\n c_vhat_jd%istart(2) = 1\n c_vhat_jd%istart(3) = 1\n IF ( ioform == 1 ) THEN ! M3IO -- keep false dot points\n c_vhat_jd%iend(1) = nxp1\n ELSE ! preserve Arakawa-C staggering\n c_vhat_jd%iend(1) = nx\n ENDIF\n c_vhat_jd%iend(2) = nyp1\n c_vhat_jd%iend(3) = nz\n\n IF ( luvbout > 0 ) THEN\n\n c_uwind%fld = fillreal\n c_uwind%fldname = 'UWIND'\n c_uwind%long_name = 'U-comp. of true wind at dot point'\n c_uwind%units = 'm s-1'\n c_uwind%dimnames(1) = 'nxp1'\n c_uwind%dimnames(2) = 'nyp1'\n c_uwind%dimnames(3) = 'nz'\n c_uwind%istart(1) = 1\n c_uwind%istart(2) = 1\n c_uwind%istart(3) = 1\n c_uwind%iend(1) = nxp1\n c_uwind%iend(2) = nyp1\n c_uwind%iend(3) = nz\n\n c_vwind%fld = fillreal\n c_vwind%fldname = 'VWIND'\n c_vwind%long_name = 'V-comp. of true wind at dot point'\n c_vwind%units = 'm s-1'\n c_vwind%dimnames(1) = 'nxp1'\n c_vwind%dimnames(2) = 'nyp1'\n c_vwind%dimnames(3) = 'nz'\n c_vwind%istart(1) = 1\n c_vwind%istart(2) = 1\n c_vwind%istart(3) = 1\n c_vwind%iend(1) = nxp1\n c_vwind%iend(2) = nyp1\n c_vwind%iend(3) = nz\n\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Time-varying 3d fields (soil layers) at cell centers.\n!-------------------------------------------------------------------------------\n\n IF ( ifsoil ) THEN\n\n c_soit3d%fld = fillreal\n c_soit3d%fldname = 'SOIT3D'\n c_soit3d%long_name = 'soil temperature'\n c_soit3d%units = 'K'\n c_soit3d%dimnames(1) = 'nx'\n c_soit3d%dimnames(2) = 'ny'\n c_soit3d%dimnames(3) = 'nsoi'\n c_soit3d%istart(1) = 1\n c_soit3d%istart(2) = 1\n c_soit3d%istart(3) = 1\n c_soit3d%iend(1) = nx\n c_soit3d%iend(2) = ny\n c_soit3d%iend(3) = nsoi\n\n c_soim3d%fld = fillreal\n c_soim3d%fldname = 'SOIM3D'\n c_soim3d%long_name = 'soil moisture'\n c_soim3d%units = 'm3 m-3'\n c_soim3d%dimnames(1) = 'nx'\n c_soim3d%dimnames(2) = 'ny'\n c_soim3d%dimnames(3) = 'nsoi'\n c_soim3d%istart(1) = 1\n c_soim3d%istart(2) = 1\n c_soim3d%istart(3) = 1\n c_soim3d%iend(1) = nx\n c_soim3d%iend(2) = ny\n c_soim3d%iend(3) = nsoi\n\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Time-varying 3d fields (mosaic land use categories) at cell centers.\n!-------------------------------------------------------------------------------\n\n IF ( ifmosaic ) THEN\n\n c_lufrac2%fld = fillreal\n c_lufrac2%fldname = 'LUFRAC2'\n c_lufrac2%long_name = 'ranked fractional land use'\n c_lufrac2%units = 'percent'\n c_lufrac2%dimnames(1) = 'nx'\n c_lufrac2%dimnames(2) = 'ny'\n c_lufrac2%dimnames(3) = 'nmos'\n c_lufrac2%istart(1) = 1\n c_lufrac2%istart(2) = 1\n c_lufrac2%istart(3) = 1\n c_lufrac2%iend(1) = nx\n c_lufrac2%iend(2) = ny\n c_lufrac2%iend(3) = nmos\n\n c_moscat%fld = fillreal\n c_moscat%fldname = 'MOSCAT'\n c_moscat%long_name = 'land use category for LUFRAC2'\n c_moscat%units = '1'\n c_moscat%dimnames(1) = 'nx'\n c_moscat%dimnames(2) = 'ny'\n c_moscat%dimnames(3) = 'nmos'\n c_moscat%istart(1) = 1\n c_moscat%istart(2) = 1\n c_moscat%istart(3) = 1\n c_moscat%iend(1) = nx\n c_moscat%iend(2) = ny\n c_moscat%iend(3) = nmos\n\n c_lai_mos%fld = fillreal\n c_lai_mos%fldname = 'LAI_MOS'\n c_lai_mos%long_name = 'leaf area index (mosaic)'\n c_lai_mos%units = 'm2 m-2'\n c_lai_mos%dimnames(1) = 'nx'\n c_lai_mos%dimnames(2) = 'ny'\n c_lai_mos%dimnames(3) = 'nmos'\n c_lai_mos%istart(1) = 1\n c_lai_mos%istart(2) = 1\n c_lai_mos%istart(3) = 1\n c_lai_mos%iend(1) = nx\n c_lai_mos%iend(2) = ny\n c_lai_mos%iend(3) = nmos\n\n c_rai_mos%fld = fillreal\n c_rai_mos%fldname = 'RAI_MOS'\n c_rai_mos%long_name = 'inverse of aerodynamic resistance (mosaic)'\n c_rai_mos%units = 'm s-1'\n c_rai_mos%dimnames(1) = 'nx'\n c_rai_mos%dimnames(2) = 'ny'\n c_rai_mos%dimnames(3) = 'nmos'\n c_rai_mos%istart(1) = 1\n c_rai_mos%istart(2) = 1\n c_rai_mos%istart(3) = 1\n c_rai_mos%iend(1) = nx\n c_rai_mos%iend(2) = ny\n c_rai_mos%iend(3) = nmos\n\n c_rsi_mos%fld = fillreal\n c_rsi_mos%fldname = 'RSI_MOS'\n c_rsi_mos%long_name = 'inverse of stomatal resistance (mosaic)'\n c_rsi_mos%units = 'm s-1'\n c_rsi_mos%dimnames(1) = 'nx'\n c_rsi_mos%dimnames(2) = 'ny'\n c_rsi_mos%dimnames(3) = 'nmos'\n c_rsi_mos%istart(1) = 1\n c_rsi_mos%istart(2) = 1\n c_rsi_mos%istart(3) = 1\n c_rsi_mos%iend(1) = nx\n c_rsi_mos%iend(2) = ny\n c_rsi_mos%iend(3) = nmos\n\n c_tsk_mos%fld = fillreal\n c_tsk_mos%fldname = 'TSK_MOS'\n c_tsk_mos%long_name = 'vegetation temperature (mosaic)'\n c_tsk_mos%units = 'K'\n c_tsk_mos%dimnames(1) = 'nx'\n c_tsk_mos%dimnames(2) = 'ny'\n c_tsk_mos%dimnames(3) = 'nmos'\n c_tsk_mos%istart(1) = 1\n c_tsk_mos%istart(2) = 1\n c_tsk_mos%istart(3) = 1\n c_tsk_mos%iend(1) = nx\n c_tsk_mos%iend(2) = ny\n c_tsk_mos%iend(3) = nmos\n\n c_znt_mos%fld = fillreal\n c_znt_mos%fldname = 'ZNT_MOS'\n c_znt_mos%long_name = 'roughness length (mosaic)'\n c_znt_mos%units = 'm'\n c_znt_mos%dimnames(1) = 'nx'\n c_znt_mos%dimnames(2) = 'ny'\n c_znt_mos%dimnames(3) = 'nmos'\n c_znt_mos%istart(1) = 1\n c_znt_mos%istart(2) = 1\n c_znt_mos%istart(3) = 1\n c_znt_mos%iend(1) = nx\n c_znt_mos%iend(2) = ny\n c_znt_mos%iend(3) = nmos\n\n ENDIF\n\nEND SUBROUTINE init_ctm\n" }, { "path": "PREP/mcip/src/init_io.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nSUBROUTINE init_io\n\n!-------------------------------------------------------------------------------\n! Name: Initializes I/O API\n! Purpose: Initialize I/O API.\n! Revised: 18 Aug 2004 Original version. (T. Otte)\n! 08 Mar 2005 Enabled/mandated use of I/O API 3 or beyond. (T. Otte)\n! 30 Aug 2011 Replaced modules IODECL3 and PARMS3 with I/O API\n! module M3UTILIO. Removed call to I/O API utility\n! routine IOPARMS3. Mandates use of I/O API 3.1 or\n! beyond. Deleted unused variables. (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n!-------------------------------------------------------------------------------\n\n USE date_time\n USE m3utilio\n\n IMPLICIT NONE\n\n INTEGER :: funit\n\n!-------------------------------------------------------------------------------\n! Initialize I/O API.\n!-------------------------------------------------------------------------------\n\n funit = init3()\n\n!-------------------------------------------------------------------------------\n! Initialize current date and time to missing values.\n!-------------------------------------------------------------------------------\n\n sdate = imiss3\n stime = imiss3\n\nEND SUBROUTINE init_io\n" }, { "path": "PREP/mcip/src/init_met.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nSUBROUTINE init_met\n\n!-------------------------------------------------------------------------------\n! Name: Initialize Meteorology Arrays\n! Purpose: Initializes meteorology arrays.\n! Revised: 10 Sep 2001 Original version. (T. Otte)\n! 29 May 2003 Added SNOWCOVR. (D. Schwede)\n! 09 Aug 2004 Added QGA, VEGOLD, and T2. (D. Schwede and T. Otte)\n! 29 Nov 2004 Added LUFRAC. (T. Otte)\n! 04 Apr 2005 Removed unused variables REGIME and MAVAIL. Added PH,\n! PHB, PB, MU, and MUB for WRF. Added U10 and V10.\n! (T. Otte and S.-B. Kim)\n! 11 Aug 2005 Removed unused variable FSOIL. (T. Otte)\n! 19 Jun 2006 Corrected initial values for ISLTYP and LANDUSE.\n! (T. Otte)\n! 25 Jul 2007 Removed internal variables for emissivity and net\n! radiation. Eliminated logical variable \"PX\" to make\n! code more general. (T. Otte)\n! 05 May 2008 Added 2-m mixing ratio (Q2) and turbulent kinetic\n! energy (TKE) arrays. Added urban fraction (FRC_URB)\n! and urban roughness length (Z0C_URB2D) for\n! MET_UCMCALL=1. (T. Otte)\n! 29 Sep 2009 Added THETA and CORIOLIS for when potential vorticity\n! is needed. Added LATU, LONU, MAPU, LATV, LONV, and\n! MAPV. Removed Z0C_URB2D. (T. Otte)\n! 15 Dec 2010 Added sea ice. Added tipping buckets for convective\n! and non-convective precipitation. (T. Otte)\n! 01 Sep 2011 Corrected initialization of ISLTYP to match variable\n! type. (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n! 11 Sep 2012 Added LANDMASK to be read from WRF. (T. Otte)\n! 10 Apr 2015 Added new array CLDFRA to pass 3D resolved cloud\n! fraction to output. (T. Spero)\n! 21 Aug 2015 Changed latent heat flux from QFX to LH. Added\n! moisture flux (QFX) for IFMOLACM. (T. Spero)\n! 16 Mar 2018 Added SNOWH to output. Added C1H, C2H, C1F, and C2F to\n! support hybrid vertical coordinate in WRF. Added\n! LUFRAC2, MOSCATIDX, LAI_MOS, RA_MOS, RS_MOS, TSK_MOS,\n! and ZNT_MOS to support NOAH Mosaic land-surface model.\n! Added DZS to capture soil layers, and added 3D soil\n! arrays, SOIT3D and SOIM3D. Added WSPDSFC and XLAIDYN\n! for Noah. (T. Spero)\n! 14 Sep 2018 Changed condition to enable hybrid vertical coordinate\n! in WRF. Removed support for MM5v3 input. (T. Spero)\n! 18 Jun 2019 Added new surface variables with PX LSM that can\n! improve dust simulation in CCTM. Added optional\n! variables from KF convective scheme with radiative\n! feedbacks. (T. Spero)\n!-------------------------------------------------------------------------------\n\n USE metinfo\n USE metvars\n USE mcipparm\n\n IMPLICIT NONE\n\n!-------------------------------------------------------------------------------\n! Initialize meteorology arrays.\n!-------------------------------------------------------------------------------\n\n IF ( met_hybrid >= 0 ) THEN ! using hybrid vertical coordinate in WRF\n c1f (:) = 0.0 ; c1h (:) = 0.0\n c2f (:) = 0.0 ; c2f (:) = 0.0\n ENDIF\n\n sigmaf (:) = 0.0 ; sigmah (:) = 0.0\n\n IF ( met_ns > 0 ) THEN ! using multi-layer land-surface model\n dzs (:) = 0.0\n ENDIF\n\n albedo (:,:) = 0.0 ; glw (:,:) = 0.0\n groundt (:,:) = 0.0 ; hfx (:,:) = 0.0\n i_rainc (:,:) = 0 ; i_rainnc (:,:) = 0\n ircold (:,:) = 0 ; irnold (:,:) = 0\n landmask (:,:) = 0.0 ; landuse (:,:) = 0\n latcrs (:,:) = 0.0 ; latdot (:,:) = 0.0\n latu (:,:) = 0.0 ; latv (:,:) = 0.0\n lh (:,:) = 0.0 ; loncrs (:,:) = 0.0\n londot (:,:) = 0.0 ; lonu (:,:) = 0.0\n lonv (:,:) = 0.0 ; mapcrs (:,:) = 0.0\n mapdot (:,:) = 0.0 ; mapu (:,:) = 0.0\n mapv (:,:) = 0.0 ; psa (:,:) = 0.0\n raincon (:,:) = 0.0 ; rainnon (:,:) = 0.0\n rcold (:,:) = 0.0 ; rgrnd (:,:) = 0.0\n rnold (:,:) = 0.0 ; seaice (:,:) = 0.0\n snowcovr (:,:) = 0.0 ; snowh (:,:) = 0.0\n terrain (:,:) = 0.0 ; ust (:,:) = 0.0\n znt (:,:) = 0.0 ; zpbl (:,:) = 0.0\n\n IF ( ift2m ) THEN ! 2-m temperature available\n t2 (:,:) = 0.0\n ENDIF\n\n IF ( ifq2m ) THEN ! 2-m mixing ratio available\n q2 (:,:) = 0.0\n ENDIF\n\n IF ( ifw10m ) THEN ! 10-m wind components available\n u10 (:,:) = 0.0\n v10 (:,:) = 0.0\n ENDIF\n\n pp (:,:,:) = 0.0 ; qca (:,:,:) = 0.0\n qga (:,:,:) = 0.0 ; qia (:,:,:) = 0.0\n qra (:,:,:) = 0.0 ; qsa (:,:,:) = 0.0\n qva (:,:,:) = 0.0 ; ta (:,:,:) = 0.0\n ua (:,:,:) = 0.0 ; va (:,:,:) = 0.0\n wa (:,:,:) = 0.0\n\n IF ( iflufrc ) THEN ! fractional land use fields available\n lufrac (:,:,:) = 0.0\n ENDIF\n\n IF ( met_model == 2 ) THEN ! WRF\n mu (:,:) = 0.0 ; mub (:,:) = 0.0\n pb (:,:,:) = 0.0\n ph (:,:,:) = 0.0 ; phb (:,:,:) = 0.0\n ENDIF\n\n IF ( ALLOCATED ( coriolis ) ) coriolis (:,:) = 0.0\n IF ( ALLOCATED ( isltyp ) ) isltyp (:,:) = 0\n IF ( ALLOCATED ( lai ) ) lai (:,:) = 0.0\n IF ( ALLOCATED ( mol ) ) mol (:,:) = 0.0\n IF ( ALLOCATED ( qfx ) ) qfx (:,:) = 0.0\n IF ( ALLOCATED ( ra ) ) ra (:,:) = 0.0\n IF ( ALLOCATED ( rstom ) ) rstom (:,:) = 0.0\n IF ( ALLOCATED ( soilt1 ) ) soilt1 (:,:) = 0.0\n IF ( ALLOCATED ( soilt2 ) ) soilt2 (:,:) = 0.0\n IF ( ALLOCATED ( veg ) ) veg (:,:) = 0.0\n IF ( ALLOCATED ( w2 ) ) w2 (:,:) = 0.0\n IF ( ALLOCATED ( wg ) ) wg (:,:) = 0.0\n IF ( ALLOCATED ( wr ) ) wr (:,:) = 0.0\n\n IF ( ALLOCATED ( tke ) ) tke (:,:,:) = 0.0\n IF ( ALLOCATED ( theta ) ) theta (:,:,:) = 0.0\n\n IF ( ALLOCATED ( frc_urb ) ) frc_urb (:,:) = 0.0\n\n IF ( ALLOCATED ( cldfra ) ) cldfra (:,:,:) = 0.0\n\n IF ( ALLOCATED ( soim3d ) ) soim3d (:,:,:) = 0.0\n IF ( ALLOCATED ( soit3d ) ) soit3d (:,:,:) = 0.0\n\n IF ( ALLOCATED ( lufrac2 ) ) lufrac2 (:,:,:) = 0.0\n IF ( ALLOCATED ( moscatidx ) ) moscatidx(:,:,:) = 0\n IF ( ALLOCATED ( lai_mos ) ) lai_mos (:,:,:) = 0.0\n IF ( ALLOCATED ( ra_mos ) ) ra_mos (:,:,:) = 0.0\n IF ( ALLOCATED ( rs_mos ) ) rs_mos (:,:,:) = 0.0\n IF ( ALLOCATED ( tsk_mos ) ) tsk_mos (:,:,:) = 0.0\n IF ( ALLOCATED ( znt_mos ) ) znt_mos (:,:,:) = 0.0\n\n IF ( ALLOCATED ( wspdsfc ) ) wspdsfc (:,:) = 0.0\n IF ( ALLOCATED ( xlaidyn ) ) xlaidyn (:,:) = 0.0\n\n IF ( ALLOCATED ( lai_px ) ) lai_px (:,:) = 0.0\n IF ( ALLOCATED ( wwlt_px ) ) wwlt_px (:,:) = 0.0\n IF ( ALLOCATED ( wsat_px ) ) wsat_px (:,:) = 0.0\n IF ( ALLOCATED ( wfc_px ) ) wfc_px (:,:) = 0.0\n IF ( ALLOCATED ( csand_px ) ) csand_px (:,:) = 0.0\n IF ( ALLOCATED ( fmsand_px ) ) fmsand_px(:,:) = 0.0\n IF ( ALLOCATED ( clay_px ) ) clay_px (:,:) = 0.0\n\n IF ( ALLOCATED ( qc_cu ) ) qc_cu (:,:,:) = 0.0\n IF ( ALLOCATED ( qi_cu ) ) qi_cu (:,:,:) = 0.0\n IF ( ALLOCATED ( cldfra_dp ) ) cldfra_dp(:,:,:) = 0.0\n IF ( ALLOCATED ( cldfra_sh ) ) cldfra_sh(:,:,:) = 0.0\n\nEND SUBROUTINE init_met\n" }, { "path": "PREP/mcip/src/init_x.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nSUBROUTINE init_x\n\n!-------------------------------------------------------------------------------\n! Name: Initialize X arrays.\n! Purpose: Initializes X arrays.\n! Revised: 26 Jan 1997 Created for MCIP and generalized CTM. (D. Byun)\n! 04 Feb 1998 Changed include method nonglobal includes. (D. Byun)\n! 30 Apr 1999 Replaced PSTAR with PRSFC. (D. Byun)\n! 19 Sep 2001 Converted to free-form f90. Removed SDATE and STIME\n! from routine. Changed routine name from INITX to\n! INIT_X. (T. Otte)\n! 14 Jan 2002 Added new dry deposition species, methanol.\n! (Y. Wu and T. Otte)\n! 23 Jan 2002 Changed initialization of X-variables from 0.0 to\n! BADVAL3 to avoid confusion. (T. Otte)\n! 27 Feb 2002 Renamed XSURF1 as XTEMP1P5 and XSURF2 as XWIND10.\n! (T. Otte)\n! 18 Mar 2003 Removed XJDRATE. (T. Otte)\n! 09 Jun 2003 Added XF2DEF, XSNOCOV, XDELTA, XLSTWET, XRH. Added\n! new dry deposition species: N2O5, NO3, and generic\n! aldehyde. (D. Schwede, T. Otte, and J. Pleim)\n! Removed extraneous variables from output. (T. Otte)\n! 09 Aug 2004 Added XQGRAUP, XWSPD10, XWDIR10, and XT2. Removed\n! XFLAGS, XINDEX, and XNAMES. (T. Otte and D. Schwede)\n! 01 Dec 2004 Added XPURB. (T. Otte)\n! 04 Apr 2005 Removed unused variables XREGIME and XRTOLD. Added\n! initialization of WRF variables. Changed XUU and XVV\n! to XUU_D and XVV_D, and changed XUHAT and XVHAT to\n! XUU_S and XVV_T. Added pointer indices for optional\n! chlorine and mercury species. Removed XENTRP. Added\n! XU10 and XV10. (T. Otte, S.-B. Kim, G. Sarwar, and\n! R. Bullock)\n! 19 Aug 2005 Removed initialization of XDEPIDX and XVD. Moved\n! XDEPSPC to INIT_DEPV. Removed unused variables XCAPG,\n! XMMPASS, and XFSOIL. Removed array XRH and made it a\n! local scalar in M3DRY. (T. Otte and W. Hutzell)\n! 14 Jul 2006 Removed XDELTA and XLSTWET to be local variables in\n! M3DRY. Added XLWMASK. (T. Otte)\n! 30 Jul 2007 Changed XUSTAR and XRADYN to 2D arrays without a\n! dimension for fractional land use that was required\n! for RADMdry. Removed XRBNDY, XCFRACH, XCFRACM,\n! XCFRACL, XTEMP1P5, and XTEMP10. Create 2-m\n! temperature array even if it is not part of input\n! meteorology. Changed 2-m temperature from XT2 to\n! XTEMP2. Removed internal variables for emissivity\n! and net radiation. Removed XF2DEF and XRSTMIN to be\n! local variables in RESISTCALC. Added XPSTAR0. Added\n! initialization for XDENSAF_REF. (T. Otte)\n! 21 Apr 2008 Added 2-m mixing ratio (XQ2) and turbulent kinetic\n! energy (XTKE) arrays. (T. Otte)\n! 29 Oct 2009 Added potential vorticity (XPVC), Coriolis (XCORL),\n! and potential temperature (XTHETA). Added map-scale\n! factors squared (on cross points, XMAPC2). Added\n! XLATU, XLONU, XMAPU, XLATV, XLONV, and XMAPV. Allow\n! output variable PURB to be created with urban model\n! in WRF. (T. Otte)\n! 14 Dec 2010 Added sea ice. (T. Otte)\n! 11 Aug 2011 Replaced module PARMS3 with I/O API module M3UTILIO.\n! (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n! 10 Apr 2015 Added new array XCFRAC3D to pass 3D resolved cloud\n! fraction to output. (T. Spero)\n! 21 Aug 2015 Changed latent heat flux from QFX to LH. Fill THETA\n! and add moisture flux (QFX) for IFMOLACM. (T. Spero)\n! 17 Sep 2015 Changed IFMOLACM to IFMOLPX. (T. Spero)\n! 16 Mar 2018 Added SNOWH to output. Added XMUHYB to support hybrid\n! vertical coordinate in WRF output. Added XLUFRAC2,\n! XMOSCATIDX, XLAI_MOS, XRA_MOS, XRS_MOS, XTSK_MOS, and\n! XZNT_MOS to support NOAH Mosaic land-surface model.\n! Added XZSOIL to define soil layer depths, and added\n! 3D soil arrays, XSOIT3D and XSOIM3D. Added\n! XWSPDSFC and XXLAIDYN for Noah. (T. Spero)\n! 26 Jun 2018 Now use netCDF tokens for missing data. (T. Spero)\n! 14 Sep 2018 Changed condition to enable hybrid vertical coordinate\n! in WRF. Removed support for MM5v3 input. (T. Spero)\n! 18 Jun 2019 Added new surface variables with PX LSM that can\n! improve dust simulation in CCTM. Added optional\n! variables from KF convective scheme with radiative\n! feedbacks. (T. Spero)\n!-------------------------------------------------------------------------------\n\n USE mcipparm\n USE xvars\n USE metinfo\n\n IMPLICIT NONE\n \n!-------------------------------------------------------------------------------\n! Initialize X-arrays.\n!-------------------------------------------------------------------------------\n\n xx3face (:) = fillreal ; xx3midl (:) = fillreal\n\n xalbedo (:,:) = fillreal ; xcfract (:,:) = fillreal\n xcldbot (:,:) = fillreal ; xcldtop (:,:) = fillreal\n xdenss (:,:) = fillreal ; xdluse (:,:) = fillreal\n xglw (:,:) = fillreal ; xgsw (:,:) = fillreal\n xhfx (:,:) = fillreal ; xlai (:,:) = fillreal\n xlatc (:,:) = fillreal ; xlatd (:,:) = fillreal\n xlatu (:,:) = fillreal ; xlatv (:,:) = fillreal\n xlh (:,:) = fillreal ; xlonc (:,:) = fillreal\n xlond (:,:) = fillreal ; xlonu (:,:) = fillreal\n xlonv (:,:) = fillreal ; xlwmask (:,:) = fillreal\n xmapc (:,:) = fillreal ; xmapc2 (:,:) = fillreal\n xmapd (:,:) = fillreal ; xmapu (:,:) = fillreal\n xmapv (:,:) = fillreal ; xmol (:,:) = fillreal\n xpbl (:,:) = fillreal ; xprsfc (:,:) = fillreal\n xq2 (:,:) = fillreal ; xradyn (:,:) = fillreal\n xrainc (:,:) = fillreal ; xrainn (:,:) = fillreal\n xrgrnd (:,:) = fillreal ; xrib (:,:) = fillreal\n xrstom (:,:) = fillreal ; xseaice (:,:) = fillreal\n xsnocov (:,:) = fillreal ; xsnowh (:,:) = fillreal\n xtemp2 (:,:) = fillreal ; xtempg (:,:) = fillreal\n xtopo (:,:) = fillreal ; xustar (:,:) = fillreal\n xveg (:,:) = fillreal ; xwbar (:,:) = fillreal\n xwdir10 (:,:) = fillreal ; xwr (:,:) = fillreal\n xwspd10 (:,:) = fillreal ; xwstar (:,:) = fillreal\n xzruf (:,:) = fillreal\n\n IF ( met_hybrid >= 0 ) THEN\n xmuhyb(:,:) = fillreal\n ENDIF\n\n IF ( ifw10m ) THEN\n xu10 (:,:) = fillreal ; xv10 (:,:) = fillreal\n ENDIF\n\n IF ( ( iflufrc ) .OR. ( met_urban_phys >= 1 ) ) THEN\n xpurb (:,:) = fillreal\n ENDIF\n\n IF ( lpv > 0 ) THEN\n xcorl (:,:) = fillreal\n ENDIF\n\n IF ( ifmolpx ) THEN\n xqfx (:,:) = fillreal\n ENDIF\n\n IF ( ifsoil ) THEN\n xsltyp(:,:) = fillreal\n xt2a (:,:) = fillreal\n xtga (:,:) = fillreal \n xw2a (:,:) = fillreal \n xwga (:,:) = fillreal\n ENDIF\n\n IF ( met_model == 2 ) THEN ! WRF\n xmu (:,:) = fillreal\n xgeof (:,:,:) = fillreal\n ENDIF\n\n x3htf (:,:,:) = fillreal ; x3htm (:,:,:) = fillreal\n x3jacobf(:,:,:) = fillreal ; x3jacobm(:,:,:) = fillreal\n xcldwtr (:,:,:) = fillreal ; xdensam (:,:,:) = fillreal\n xdenswm (:,:,:) = fillreal ; xdx3htf (:,:,:) = fillreal\n xluse (:,:,:) = fillreal ; xpresm (:,:,:) = fillreal\n xqgraup (:,:,:) = fillreal ; xqice (:,:,:) = fillreal\n xqsnow (:,:,:) = fillreal ; xranwtr (:,:,:) = fillreal\n xtempm (:,:,:) = fillreal ; xuu_d (:,:,:) = fillreal\n xuu_s (:,:,:) = fillreal ; xvv_d (:,:,:) = fillreal\n xvv_t (:,:,:) = fillreal ; xwhat (:,:,:) = fillreal\n xwvapor (:,:,:) = fillreal ; xwwind (:,:,:) = fillreal\n\n IF ( iftke ) THEN\n xtke (:,:,:) = fillreal\n ENDIF\n\n IF ( lpv > 0 ) THEN\n xpvc (:,:,:) = fillreal\n ENDIF\n\n IF ( lpv > 0 .OR. ifmolpx ) THEN\n xtheta(:,:,:) = fillreal\n ENDIF\n\n IF ( ifcld3d ) THEN\n xcfrac3d(:,:,:) = fillreal\n ENDIF\n\n IF ( ( ifsoil ) .AND. ( metsoi > 0 ) ) THEN\n xzsoil (:) = fillreal\n xsoit3d(:,:,:) = fillreal\n xsoim3d(:,:,:) = fillreal\n ENDIF\n\n IF ( nummosaic > 0 ) THEN\n xlufrac2 (:,:,:) = fillreal\n xmoscatidx(:,:,:) = fillreal\n xlai_mos (:,:,:) = fillreal\n xra_mos (:,:,:) = fillreal\n xrs_mos (:,:,:) = fillreal\n xtsk_mos (:,:,:) = fillreal\n xznt_mos (:,:,:) = fillreal\n xwspdsfc (:,:) = fillreal\n xxlaidyn (:,:) = fillreal\n ENDIF\n\n IF ( ifpxwrf41 ) THEN\n xwsat_px (:,:) = fillreal\n xwfc_px (:,:) = fillreal\n xwwlt_px (:,:) = fillreal\n xcsand_px (:,:) = fillreal\n xfmsand_px(:,:) = fillreal\n xclay_px (:,:) = fillreal\n ENDIF\n\n IF ( ifkfradextras ) THEN\n xqc_cu (:,:,:) = fillreal\n xqi_cu (:,:,:) = fillreal\n xcldfrad(:,:,:) = fillreal\n xcldfras(:,:,:) = fillreal\n ENDIF\n\nEND SUBROUTINE init_x\n" }, { "path": "PREP/mcip/src/julian.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nFUNCTION julian (year, mnth, mday)\n\n!-------------------------------------------------------------------------------\n! Name: Julian Day\n! Purpose: Returns the Julian day (1...365,366) corresponding to the date\n! MNTH-MDAY-YEAR. NOTE: This is NOT the Julian DATE -- only the\n! day-number. To get the Julian date:\n! JDATE = 1000 * YEAR + JULIAN ( YEAR , MNTH , MDAY )\n! Revised: ?? May 1988 Modified for ROMNET. (???)\n! ?? Aug 1990 Modified for ROM 2.2: improved comments; improved\n! algorithm using IF-THEN-ELSE IF construction. (???)\n! 10 Sep 2001 Converted to free-form f90. (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n!-------------------------------------------------------------------------------\n\n IMPLICIT NONE\n\n INTEGER :: julian ! Julian day from arguments\n INTEGER :: l\n INTEGER :: m\n INTEGER, INTENT(IN) :: mday ! day of month [1-31]\n INTEGER, INTENT(IN) :: mnth ! month of year [1-12]\n INTEGER :: n\n INTEGER, INTENT(IN) :: year ! four-digit calendar year\n\n m = MOD((mnth + 9), 12)\n n = (m * 153 + 2) / 5 + mday + 58\n\n IF ( MOD(year, 4) /= 0 ) THEN\n l = 365\n ELSE IF ( MOD(year, 100) /= 0 ) THEN\n l = 366\n n = 1 + n\n ELSE IF ( MOD(year, 400) /= 0 ) THEN\n l = 365\n ELSE \n l = 366\n n = 1 + n\n END IF\n\n julian = 1 + MOD(n, l)\n\nEND FUNCTION julian\n" }, { "path": "PREP/mcip/src/layht.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nSUBROUTINE layht (xx3face, xx3midl, xx3jcbf, xx3jcbm, xx3htf, xx3htm)\n\n!-------------------------------------------------------------------------------\n! Name: Layer Heights\n! Purpose: Compute height of vertical coordinates for given Jacobian.\n! XX3HT = XX3JACOB * ( X3 (K+1) - X3 (K) )\n!\n! Input: IMAX,JMAX: total domain size in x (E-W) & y (N-S) direction\n! KMAX : number of layers (actually used)\n! XX3FACE : vertical coordinate values of layer interface\n! XX3MIDL : vertical coordinate values of layer middle\n! XX3JCBF : vertical Jacobian at layer face in meter\n! XX3JCBM : vertical Jacobian at layer middle in meter\n!\n! Output: XX3HTF : height of layer interface in meter\n! XX3HTM : height of layer middle in meter\n! \n! Revised: 05 Feb 1997 Created for MCIP and generalized CTM. (D. Byun)\n! 18 Sep 2001 Converted to free-form f90. (T. Otte)\n! 09 Jan 2002 Changed calls to \"abort\" to calls to \"m3exit\" for\n! graceful shut-down of I/O API files. (T. Otte)\n! 19 Jun 2006 Removed dependency on module CONST. (T. Otte)\n! 29 Aug 2011 Improved error handling. (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n!-------------------------------------------------------------------------------\n\n IMPLICIT NONE\n\n INTEGER :: i\n INTEGER :: imax\n INTEGER :: j\n INTEGER :: jmax\n INTEGER :: k\n INTEGER :: lbndf\n INTEGER :: lbndm\n CHARACTER(LEN=16), PARAMETER :: pname = 'LAYHT'\n INTEGER :: ubndf\n INTEGER :: ubndm\n REAL, INTENT(IN) :: xx3face ( : )\n REAL, INTENT(OUT) :: xx3htf ( : , : , : )\n REAL, INTENT(OUT) :: xx3htm ( : , : , : )\n REAL, INTENT(IN) :: xx3jcbf ( : , : , : )\n REAL, INTENT(IN) :: xx3jcbm ( : , : , : )\n REAL, INTENT(IN) :: xx3midl ( : )\n\n!-------------------------------------------------------------------------------\n! Error, warning, and informational messages.\n!-------------------------------------------------------------------------------\n\n CHARACTER(LEN=256), PARAMETER :: f9000 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** PROBLEM WITH IMAX', &\n & /, 1x, '*** SIZES OF XX3HTF, XX3HTM = ', 2(2x, i4), &\n & /, 1x, '*** SIZES OF XX3JCBF, XX3JCBM = ', 2(2x, i4), &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9100 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** PROBLEM WITH JMAX', &\n & /, 1x, '*** SIZES OF XX3HTF, XX3HTM = ', 2(2x, i4), &\n & /, 1x, '*** SIZES OF XX3JCBF, XX3JCBM = ', 2(2x, i4), &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9200 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** PROBLEM WITH MIDDLE LEVEL DIMENSION', &\n & /, 1x, '*** SIZE OF XX3MIDL = ', 2x, i4, &\n & /, 1x, '*** SIZES OF XX3HTM, XX3JCBM = ', 2(2x, i4), &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9300 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** PROBLEM WITH FACE LEVEL DIMENSION', &\n & /, 1x, '*** SIZE OF XX3FACE = ', 2x, i4, &\n & /, 1x, '*** SIZES OF XX3HTF, XX3JCBF = ', 2(2x, i4), &\n & /, 1x, 70('*'))\"\n\n!-------------------------------------------------------------------------------\n! Since input arrays are assumed-shape, do simple QC on array sizes and\n! extract dimension information.\n!-------------------------------------------------------------------------------\n\n ! Check IMAX.\n\n imax = SIZE(xx3htf,1)\n IF ( ( SIZE(xx3htm,1) /= imax ) .OR. ( SIZE(xx3jcbf,1) /= imax ) .OR. &\n ( SIZE(xx3jcbm,1) /= imax ) ) THEN\n WRITE (*,f9000) TRIM(pname), imax, SIZE(xx3htm,1), SIZE(xx3jcbf,1), &\n SIZE(xx3jcbm,1)\n CALL graceful_stop (pname)\n ENDIF\n\n ! Check JMAX.\n\n jmax = SIZE(xx3htf,2)\n IF ( ( SIZE(xx3htm,2) /= jmax ) .OR. ( SIZE(xx3jcbf,2) /= jmax ) .OR. &\n ( SIZE(xx3jcbm,2) /= jmax ) ) THEN\n WRITE (*,f9100) TRIM(pname), jmax, SIZE(xx3htm,2), SIZE(xx3jcbf,2), &\n SIZE(xx3jcbm,2)\n CALL graceful_stop (pname)\n ENDIF\n\n ! Check vertical dimensions.\n\n IF ( ( SIZE(xx3midl,1) /= SIZE(xx3htm,3) ) .OR. &\n ( SIZE(xx3midl,1) /= SIZE(xx3jcbm,3) ) ) THEN\n WRITE (*,f9200) TRIM(pname), SIZE(xx3midl,1), SIZE(xx3htm,3), &\n SIZE(xx3jcbm,3)\n CALL graceful_stop (pname)\n ELSE\n lbndm = LBOUND(xx3midl,1)\n ubndm = UBOUND(xx3midl,1)\n ENDIF\n\n IF ( ( SIZE(xx3face,1) /= SIZE(xx3htf,3) ) .OR. &\n ( SIZE(xx3face,1) /= SIZE(xx3jcbf,3) ) ) THEN\n WRITE (*,f9300) TRIM(pname), SIZE(xx3face,1), SIZE(xx3htf,3), &\n SIZE(xx3jcbf,3)\n CALL graceful_stop (pname)\n ELSE\n lbndf = LBOUND(xx3face,1)\n ubndf = UBOUND(xx3face,1)\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Build layer height fields using Jacobian.\n!-------------------------------------------------------------------------------\n\n DO i = 1, imax\n DO j = 1, jmax\n\n ! Full levels\n\n xx3htf(i,j,lbndf) = 0.0 \n\n DO k = lbndf+1, ubndf\n xx3htf(i,j,k) = xx3htf(i,j,k-1) + ( xx3face(k) - xx3face(k-1) ) * &\n xx3jcbm(i,j,lbndm+k-2)\n ENDDO \n\n ! Half levels\n\n xx3htm(i,j,lbndm) = ( xx3midl(lbndm) - xx3face(lbndf) ) &\n * 0.5 * ( xx3jcbf(i,j,lbndf) + xx3jcbm(i,j,lbndm) )\n\n DO k = lbndm+1, ubndm\n xx3htm(i,j,k) = xx3htm(i,j,k-1) + ( xx3midl(k) - xx3midl(k-1) ) * &\n xx3jcbf(i,j,lbndf+k-1)\n ENDDO\n\n ENDDO\n ENDDO \n\nEND SUBROUTINE layht\n" }, { "path": "PREP/mcip/src/ll2xy_lam.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nSUBROUTINE ll2xy_lam (phi, lambda, phi1, phi2, lambda0, phi0, xx, yy)\n\n!-------------------------------------------------------------------------------\n! Name: Latitude-Longitude to (X,Y) for Lambert Conformal Projection\n! Purpose: Determines secant or tangent Lambert conformal case, and calls\n! appropriate routine.\n! Revised: 03 Jun 2008 Original version. (T. Otte)\n! 26 Nov 2008 Added argument for reference latitude, PHI0.\n! Prevent users from having tangent Lambert conformal\n! case until it can be tested with the Spatial\n! Allocator. (Known problem is that the Spatial\n! Allocator does not work properly when the\n! reference latitude is equal to the first true\n! latitude. Work-around is to set reference latitude\n! to average of true latitudes for Lambert conformal.\n! But average of true latiudes for tangent Lambert\n! conformal case is the first true latitude, which\n! will result in the same problem as solution used\n! in MCIPv3.4.) (T. Otte)\n! 01 Sep 2011 Improved error handling. Changed XX and YY from\n! double-precision to single-precision reals. (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n!-------------------------------------------------------------------------------\n\n IMPLICIT NONE\n\n REAL, INTENT(IN) :: lambda ! longitude [deg]\n REAL, INTENT(IN) :: lambda0 ! standard longitude [deg]\n REAL, INTENT(IN) :: phi ! latitude [deg]\n REAL, INTENT(IN) :: phi0 ! reference latitude [deg]\n REAL, INTENT(IN) :: phi1 ! true latitude 1 [deg]\n REAL, INTENT(IN) :: phi2 ! true latitude 2 [deg]\n REAL, PARAMETER :: phitol = 0.001 ! tolerance [deg]\n CHARACTER(LEN=16), PARAMETER :: pname = 'LL2XY_LAM'\n REAL, INTENT(OUT) :: xx ! X-coordinate from origin\n REAL, INTENT(OUT) :: yy ! Y-coordinate from origin\n\n!-------------------------------------------------------------------------------\n! Error, warning, and informational messages.\n!-------------------------------------------------------------------------------\n\n CHARACTER(LEN=256), PARAMETER :: f9000 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** TANGENT LAMBERT CONFORMAL PROJECTION DETECTED', &\n & /, 1x, '*** TRUE LATITUDES = ', f8.3, 2x, f8.3, &\n & /, 1x, '*** MAY NOT WORK PROPERLY IN SPATIAL ALLOCATOR', &\n & /, 1x, 70('*'))\"\n\n!-------------------------------------------------------------------------------\n! Determine whether Lambert conformal is tangent or secant.\n!-------------------------------------------------------------------------------\n\n IF ( ABS( phi1 - phi2 ) < phitol ) THEN ! tangent case\n WRITE (*,f9000) TRIM(pname), phi1, phi2\n CALL graceful_stop (pname)\n! CALL ll2xy_lam_tan (phi, lambda, phi1, lambda0, xx, yy)\n ELSE ! secant case\n CALL ll2xy_lam_sec (phi, lambda, phi1, phi2, lambda0, phi0, xx, yy)\n ENDIF\n\nEND SUBROUTINE ll2xy_lam\n" }, { "path": "PREP/mcip/src/ll2xy_lam_sec.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nSUBROUTINE ll2xy_lam_sec (phi, lambda, phi1, phi2, lambda0, phi0, xx, yy)\n\n!-------------------------------------------------------------------------------\n! Name: Latitude-Longitude to (X,Y) for Lambert Conformal Projection\n! Purpose: Calculates (X,Y) from origin for a given latitude-longitude pair\n! and Lambert conformal projection information for secant case.\n! Notes: Equations taken from \"Map Projections: Theory and Applications\"\n! by Frederick Pearson, II (1990), pp. 181-182.\n! Revised: 03 Jun 2008 Original version. (T. Otte)\n! 04 Dec 2008 Added argument for reference latitude, PHI0.\n! Changed routine so it is no longer hard-wired to\n! have a reference latitude at the first true\n! latitude. (T. Otte and J. Pleim)\n! 17 Sep 2009 Corrected inline comments associated with definitions\n! of RHO and RHO0. Corrected calculation of PSI (with\n! no impact on results). (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n!-------------------------------------------------------------------------------\n\n USE const, ONLY: rearth\n\n IMPLICIT NONE\n\n REAL(8) :: deg2rad ! convert degrees to radians\n REAL(8) :: dlambda ! delta lambda\n REAL(8) :: drearth ! double-precision radius of earth [m]\n REAL, INTENT(IN) :: lambda ! longitude [deg]\n REAL, INTENT(IN) :: lambda0 ! standard longitude [deg]\n REAL, INTENT(IN) :: phi ! latitude [deg]\n REAL(8) :: phirad ! latitude [rad]\n REAL, INTENT(IN) :: phi0 ! reference latitude [deg]\n REAL(8) :: phi0rad ! reference latitude [rad]\n REAL, INTENT(IN) :: phi1 ! true latitude 1 [deg]\n REAL(8) :: phi1rad ! true latitude 1 [rad]\n REAL, INTENT(IN) :: phi2 ! true latitude 2 [deg]\n REAL(8) :: phi2rad ! true latitude 2 [rad]\n REAL(8) :: pi\n REAL(8) :: piover4 ! pi/4\n REAL(8) :: psi ! auxiliary function\n REAL(8) :: rho ! polar radius to latitude phi\n REAL(8) :: rho0 ! polar radius to origin\n REAL(8) :: term\n REAL(8) :: term0\n REAL(8) :: term1\n REAL(8) :: term2\n REAL(8) :: theta ! polar angle\n REAL(8) :: sinphi0 ! cone constant\n REAL, INTENT(OUT) :: xx ! X-coordinate from origin\n REAL, INTENT(OUT) :: yy ! Y-coordinate from origin\n\n!-------------------------------------------------------------------------------\n! Compute constants.\n!-------------------------------------------------------------------------------\n\n piover4 = DATAN(1.0d0)\n pi = 4.0d0 * piover4\n deg2rad = pi / 1.8d2\n\n drearth = DBLE(rearth)\n\n!-------------------------------------------------------------------------------\n! Compute cone constant, SINPHI0.\n! Note: PHI0 is the reference latitude, which is user-defined. It is NOT\n! used in the calculation of SINPHI0, which is the cone constant.\n!-------------------------------------------------------------------------------\n\n phi0rad = DBLE(phi0) * deg2rad ! convert PHI0 from degrees to radians\n phi1rad = DBLE(phi1) * deg2rad ! convert PHI1 from degrees to radians\n phi2rad = DBLE(phi2) * deg2rad ! convert PHI2 from degrees to radians\n\n term0 = DTAN (piover4 - phi0rad/2.0d0)\n term1 = DTAN (piover4 - phi1rad/2.0d0)\n term2 = DTAN (piover4 - phi2rad/2.0d0)\n\n sinphi0 = DLOG ( DCOS(phi1rad) / DCOS(phi2rad) )\n sinphi0 = sinphi0 / DLOG (term1 / term2)\n\n!-------------------------------------------------------------------------------\n! Compute polar angle, THETA.\n!-------------------------------------------------------------------------------\n\n dlambda = DBLE(lambda - lambda0) * deg2rad\n theta = dlambda * sinphi0\n\n!-------------------------------------------------------------------------------\n! Compute polar radius to origin, RHO0, where origin is at PHI0.\n!-------------------------------------------------------------------------------\n\n psi = drearth * DCOS(phi1rad) / sinphi0 / (term1**sinphi0)\n rho0 = psi * (term0**sinphi0)\n\n!-------------------------------------------------------------------------------\n! Compute polar radius to latitude PHI, RHO.\n!-------------------------------------------------------------------------------\n\n phirad = DBLE(phi) * deg2rad ! convert PHI from degrees to radians\n term = DTAN (piover4 - phirad/2.0d0)\n rho = psi * (term**sinphi0)\n\n!-------------------------------------------------------------------------------\n! Compute Cartesian coordinates, XX and YY.\n!-------------------------------------------------------------------------------\n\n xx = REAL( rho * DSIN(theta) )\n yy = REAL( rho0 - rho * DCOS(theta) )\n\nEND SUBROUTINE ll2xy_lam_sec\n" }, { "path": "PREP/mcip/src/ll2xy_lam_tan.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nSUBROUTINE ll2xy_lam_tan (phi, lambda, phi0, lambda0, xx, yy)\n\n!-------------------------------------------------------------------------------\n! Name: Latitude-Longitude to (X,Y) for Lambert Conformal Projection\n! Purpose: Calcluates (X,Y) from origin for a given latitude-longitude pair\n! and Lambert conformal projection information for tangent case.\n! Notes: Equations taken from \"Map Projections: Theory and Applications\"\n! by Frederick Pearson, II (1990), pp. 168-175.\n! Revised: 03 Jun 2008 Original version. (T. Otte)\n! 01 Sep 2011 Changed XX and YY from double-precision to single-\n! precision reals. (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n!-------------------------------------------------------------------------------\n\n USE const, ONLY: rearth\n\n IMPLICIT NONE\n\n REAL(8) :: deg2rad ! convert degrees to radians\n REAL(8) :: dlambda ! delta lambda\n REAL(8) :: drearth ! double-precision radius of earth [m]\n REAL, INTENT(IN) :: lambda ! longitude [deg]\n REAL, INTENT(IN) :: lambda0 ! standard longitude [deg]\n REAL, INTENT(IN) :: phi ! latitude [deg]\n REAL(8) :: phirad ! latitude [rad]\n REAL, INTENT(IN) :: phi0 ! true latitude [deg]\n REAL(8) :: phi0rad ! true latitude [rad]\n REAL(8) :: pi\n REAL(8) :: piover4 ! pi/4\n REAL(8) :: rho ! polar radius to origin\n REAL(8) :: rho0 ! polar radius to latitude phi\n REAL(8) :: term\n REAL(8) :: term0\n REAL(8) :: theta ! polar angle\n REAL(8) :: sinphi0 ! cone constant\n REAL, INTENT(OUT) :: xx ! X-coordinate from origin\n REAL, INTENT(OUT) :: yy ! Y-coordinate from origin\n\n!-------------------------------------------------------------------------------\n! Compute constants.\n!-------------------------------------------------------------------------------\n\n piover4 = DATAN(1.0d0)\n pi = 4.0d0 * piover4\n deg2rad = pi / 1.8d2\n\n drearth = DBLE(rearth)\n\n!-------------------------------------------------------------------------------\n! Compute cone constant, SINPHI0.\n!-------------------------------------------------------------------------------\n\n phi0rad = phi0 * deg2rad ! convert PHI0 from degrees to radians\n sinphi0 = DSIN (phi0rad)\n\n!-------------------------------------------------------------------------------\n! Compute polar angle, THETA.\n!-------------------------------------------------------------------------------\n\n dlambda = (lambda - lambda0) * deg2rad\n theta = dlambda * sinphi0\n\n!-------------------------------------------------------------------------------\n! Compute polar radius to origin, RHO0, where origin is at PHI0.\n!-------------------------------------------------------------------------------\n\n rho0 = drearth * DCOS(phi0rad) / sinphi0\n\n!-------------------------------------------------------------------------------\n! Compute polar radius to latitude PHI, RHO.\n!-------------------------------------------------------------------------------\n\n phirad = phi * deg2rad ! convert PHI from degrees to radians\n term = DTAN (piover4 - phirad /2.0d0)\n term0 = DTAN (piover4 - phi0rad/2.0d0)\n rho = rho0 * (( term / term0 )**sinphi0)\n\n!-------------------------------------------------------------------------------\n! Compute Cartesian coordinates, XX and YY.\n!-------------------------------------------------------------------------------\n\n xx = REAL( rho * DSIN(theta))\n yy = REAL(rho0 - rho * DCOS(theta))\n\nEND SUBROUTINE ll2xy_lam_tan\n" }, { "path": "PREP/mcip/src/ll2xy_merc.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nSUBROUTINE ll2xy_merc (phi, lambda, lambda0, xx, yy)\n\n!-------------------------------------------------------------------------------\n! Name: Latitude-Longitude to (X,Y) for Mercator Projection\n! Purpose: Calcluates (X,Y) from origin for a given latitude-longitude pair\n! and Mercator projection information.\n! Notes: Equations taken from \"Map Projections: Theory and Applications\"\n! by Frederick Pearson, II (1990), pp. 190-192.\n! Revised: 23 Sep 2009 Original version. (T. Otte)\n! 12 Feb 2010 Removed unused variable FAC. (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n!-------------------------------------------------------------------------------\n\n USE const, ONLY: rearth\n\n IMPLICIT NONE\n\n REAL(8) :: deg2rad ! convert degrees to radians\n REAL(8) :: drearth ! earth radius [m]\n REAL, INTENT(IN) :: lambda0 ! center longitude [deg]\n REAL(8) :: lambda0rad ! center longitude [rad]\n REAL, INTENT(IN) :: lambda ! longitude [deg]\n REAL(8) :: lambdarad ! longitude [rad]\n REAL, INTENT(IN) :: phi ! latitude [deg]\n REAL(8) :: phirad ! latitude [rad]\n REAL(8) :: pi\n REAL(8) :: piover4 ! pi/4\n REAL, INTENT(OUT) :: xx ! X-coordinate from origin\n REAL, INTENT(OUT) :: yy ! Y-coordinate from origin\n\n!-------------------------------------------------------------------------------\n! Compute constants.\n!-------------------------------------------------------------------------------\n\n piover4 = DATAN(1.0d0)\n pi = 4.0d0 * piover4\n deg2rad = pi / 1.8d2\n\n drearth = DBLE(rearth)\n\n!-------------------------------------------------------------------------------\n! Compute Cartesian coordinates, XX and YY.\n!-------------------------------------------------------------------------------\n\n phirad = DBLE(phi) * deg2rad ! convert degrees to radians\n lambdarad = DBLE(lambda) * deg2rad ! convert degrees to radians\n lambda0rad = DBLE(lambda0) * deg2rad ! convert degrees to radians\n\n xx = REAL( drearth * (lambdarad - lambda0rad) )\n yy = REAL( drearth * DLOG( DTAN( piover4 + (phirad/2.0d0) ) ) )\n\nEND SUBROUTINE ll2xy_merc\n" }, { "path": "PREP/mcip/src/ll2xy_ps.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nSUBROUTINE ll2xy_ps (phi, lambda, phi1, lambda0, xx, yy)\n\n!-------------------------------------------------------------------------------\n! Name: Latitude-Longitude to (X,Y) for Polar Stereographic Projection\n! Purpose: Calcluates (X,Y) from origin for a given latitude-longitude pair\n! and polar stereographic projection information.\n! Notes: Adapted from equations found at http://starbase.jpl.nasa.gov/\n! mgn-v-rdrs-5-dvdr-v1.0/gvdr0001/catalog/dsmp.lbl.\n! Revised: 28 Sep 2009 Original version. (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n!-------------------------------------------------------------------------------\n\n USE const, ONLY: rearth\n\n IMPLICIT NONE\n\n REAL(8) :: deg2rad ! convert degrees to radians\n REAL(8) :: drearth ! earth radius [m]\n REAL(8) :: hemi ! +/-1 for Northern/Southern Hemis\n REAL, INTENT(IN) :: lambda ! longitude [deg]\n REAL, INTENT(IN) :: lambda0 ! standard longitude [deg]\n REAL, INTENT(IN) :: phi ! latitude [deg]\n REAL(8) :: phirad ! latitude [rad]\n REAL, INTENT(IN) :: phi1 ! true latitude 1 [deg]\n REAL(8) :: phi1rad ! true latitude 1 [rad]\n REAL(8) :: pi\n REAL(8) :: piover4 ! pi/4\n REAL(8) :: scalefac\n REAL(8) :: sigma ! image scale\n REAL(8) :: theta ! polar angle\n REAL(8) :: tt\n REAL, INTENT(OUT) :: xx ! X-coordinate from origin\n REAL, INTENT(OUT) :: yy ! Y-coordinate from origin\n\n!-------------------------------------------------------------------------------\n! Compute constants.\n!-------------------------------------------------------------------------------\n\n piover4 = DATAN(1.0d0)\n pi = 4.0d0 * piover4\n deg2rad = pi / 1.8d2\n\n drearth = DBLE(rearth)\n\n!-------------------------------------------------------------------------------\n! Compute image scale, SIGMA.\n!-------------------------------------------------------------------------------\n\n hemi = DSIGN (1.0d0, DBLE(phi1))\n\n phi1rad = DBLE(phi1) * deg2rad ! convert PHI1 from degrees to radians\n phirad = DBLE(phi) * deg2rad ! convert PHI from degrees to radians\n\n sigma = (1.0d0 + DSIN(phi1rad)) / 2.0d0 * hemi\n\n scalefac = drearth / sigma\n\n tt = DTAN ( piover4 - phirad/2.0d0)\n\n!-------------------------------------------------------------------------------\n! Compute polar angle, THETA.\n!-------------------------------------------------------------------------------\n\n theta = DBLE(lambda - lambda0) * deg2rad\n\n!-------------------------------------------------------------------------------\n! Compute Cartesian coordinates, XX and YY.\n!-------------------------------------------------------------------------------\n\n xx = REAL( 2.0d0 * scalefac * tt * DSIN(theta) )\n yy = REAL( -hemi * 2.0d0 * scalefac * tt * DCOS(theta) )\n\nEND SUBROUTINE ll2xy_ps\n" }, { "path": "PREP/mcip/src/locate.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nSUBROUTINE locate (xx, x, j)\n\n!-------------------------------------------------------------------------------\n! Name: Locate\n! Purpose: Locates index of value X for given monotonic array XX.\n! Input: XX: array of monotonic values\n! For our application, it represents vertical coordinate values\n! X: Value to bracket in XX\n! Output: J: Index where X is located in XX\n! XX(J) <= X < XX(J+1) \n! *** I hope this is correct - test it DWB \n! Notes: This routine is adapted from the Numerical Recipe.\n! Revised: ?? ??? 19?? Original version. (D. Byun)\n! 10 Sep 2001 Converted to free-form f90. Removed N from\n! argument list. (T. Otte)\n! 19 Mar 2002 Corrected upper limit on DO loop. (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n!-------------------------------------------------------------------------------\n\n IMPLICIT NONE\n\n INTEGER, INTENT(OUT) :: j\n INTEGER :: lbnd\n REAL, PARAMETER :: small = 1.0e-6\n INTEGER :: ubnd\n REAL, INTENT(IN) :: x\n REAL, INTENT(IN) :: xx ( : )\n\n ! Step thru array 1 element at a time.\n\n lbnd = LBOUND(xx,1)\n ubnd = UBOUND(xx,1)\n\n DO j = lbnd, ubnd-1\n IF ( ( x+small >= xx(j) ) .AND. ( x < xx(j+1) ) ) EXIT\n ENDDO\n\nEND SUBROUTINE locate\n" }, { "path": "PREP/mcip/src/lucats_mod.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nMODULE lucats\n\n!-------------------------------------------------------------------------------\n! Name: Land Use Categories\n! Purpose: Contains input land use classification arrays.\n! Revised: 25 Aug 2009 Original version. (T. Otte)\n! 01 Sep 2011 Include all land use information as parameter\n! statements rather than allocatable and filled later.\n! Eliminates need for routines ALLOC_LU, DEALLOC_LU,\n! and INIT_LU. (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n! 07 Sep 2012 Added handling for 40-category 2006 NLCD-MODIS land\n! use classification as \"NLCD40\". Added alternate name\n! for 50-category 2001 NLCD-MODIS land use classification\n! as \"NLCD50\". Changed LUCATNLCD to LUCATNLCD50 and\n! added new field LUCATNLCD40. (T. Otte)\n! 01 Feb 2018 Updated MODIS category 21 to be \"Lake\". (T. Spero)\n! 22 Jun 2018 Changed name of module LUVARS to LUCATS to minimize\n! confusion. (T. Spero)\n! 08 Aug 2018 Corrected bug in setting land use category names in\n! MCIP for USGS24 + lakes. (T. Spero)\n!-------------------------------------------------------------------------------\n\n IMPLICIT NONE\n\n CHARACTER(LEN=48), PARAMETER :: lucatold ( 13 ) = & ! MM5 \"old\"\n (/ \"Urban Land \", & ! 1\n \"Agriculture \", & ! 2\n \"Range-Grassland \", & ! 3\n \"Deciduous Forest \", & ! 4\n \"Coniferous Forest \", & ! 5\n \"Mixed Forest and Wetland \", & ! 6\n \"Water \", & ! 7\n \"Marsh or Wetland \", & ! 8\n \"Desert \", & ! 9\n \"Tundra \", & ! 10\n \"Permanent Ice \", & ! 11\n \"Tropical or Subtropical Forest \", & ! 12\n \"Savannah \" /) ! 13\n\n CHARACTER(LEN=48), PARAMETER :: lucatusgs24 ( 24 ) = & ! USGS 24-category\n (/ \"Urban Land \", & ! 1\n \"Dryland Cropland and Pasture \", & ! 2\n \"Irrigated Cropland and Pasture \", & ! 3\n \"Mixed Dryland and Irrigated Cropland and Pasture\", & ! 4\n \"Cropland-Grassland Mosaic \", & ! 5\n \"Cropland-Woodland Mosaic \", & ! 6\n \"Grassland \", & ! 7\n \"Shrubland \", & ! 8\n \"Mixed Shrubland-Grassland \", & ! 9\n \"Savannah \", & ! 10\n \"Deciduous Broadleaf Forest \", & ! 11\n \"Deciduous Needleleaf Forest \", & ! 12\n \"Evergreen Broadleaf Forest \", & ! 13\n \"Evergreen Needleleaf Forest \", & ! 14\n \"Mixed Forest \", & ! 15\n \"Water \", & ! 16\n \"Herbaceous Wetland \", & ! 17\n \"Wooded Wetland \", & ! 18\n \"Barren or Sparsely Vegetated \", & ! 19\n \"Herbaceous Tundra \", & ! 20\n \"Wooded Tundra \", & ! 21\n \"Mixed Tundra \", & ! 22\n \"Bare Ground Tundra \", & ! 23\n \"Snow or Ice \" /) ! 24\n\n CHARACTER(LEN=48), PARAMETER :: lucatsib ( 16 ) = & ! SiB\n (/ \"Evergreen Broadleaf Trees \", & ! 1\n \"Broadleaf Deciduous Trees \", & ! 2\n \"Deciduous and Evergreen Trees \", & ! 3\n \"Evergreen Needleleaf Trees \", & ! 4\n \"Deciduous Needleleaf Trees \", & ! 5\n \"Ground Cover with Trees and Shrubs \", & ! 6\n \"Ground Cover Only \", & ! 7\n \"Broadleaf Shrubs with Perennial Ground Cover \", & ! 8\n \"Broadleaf Shrubs with Bare Soil \", & ! 9\n \"Ground Cover with Dwarf Trees and Shrubs \", & ! 10\n \"Bare Soil \", & ! 11\n \"Agriculture or C3 Grassland \", & ! 12\n \"Persistent Wetland \", & ! 13\n \"Dry Coastal Complexes \", & ! 14\n \"Water \", & ! 15\n \"Ice Cap and Glacier \" /) ! 16\n\n CHARACTER(LEN=48), PARAMETER :: lucatusgs28 ( 28 ) = & ! USGS 28-category\n (/ lucatusgs24(1:24), & ! 1-24\n \"~~~unassigned~~~ \", & ! 25\n \"~~~unassigned~~~ \", & ! 26\n \"~~~unassigned~~~ \", & ! 27\n \"Lake \" /) ! 28\n\n CHARACTER(LEN=48), PARAMETER :: lucatusgs33 ( 33 ) = & ! USGS 33-category\n (/ lucatusgs24(1:24), & ! 1-24\n \"Playa \", & ! 25\n \"Lava \", & ! 26\n \"White Sand \", & ! 27\n \"~~~unassigned~~~ \", & ! 28\n \"~~~unassigned~~~ \", & ! 29\n \"~~~unassigned~~~ \", & ! 30\n \"Low Intensity Residential \", & ! 31\n \"High Intensity Residential \", & ! 32\n \"Industrial or Commercial \" /) ! 33\n\n CHARACTER(LEN=48), PARAMETER :: lucatmod ( 33 ) = & ! MODIS-NOAH 33\n (/ \"Evergreen Needleleaf Forest \", & ! 1\n \"Evergreen Broadleaf Forest \", & ! 2\n \"Deciduous Needleleaf Forest \", & ! 3\n \"Deciduous Broadleaf Forest \", & ! 4\n \"Mixed Forests \", & ! 5\n \"Closed Shrublands \", & ! 6\n \"Open Shrublands \", & ! 7\n \"Woody Savannas \", & ! 8\n \"Savannas \", & ! 9\n \"Grasslands \", & ! 10\n \"Permanent Wetlands \", & ! 11\n \"Croplands \", & ! 12\n \"Urban and Built-Up \", & ! 13\n \"Cropland-Natural Vegetation Mosaic \", & ! 14\n \"Snow and Ice \", & ! 15\n \"Barren or Sparsely Vegetated \", & ! 16\n \"Water \", & ! 17\n \"Wooded Tundra \", & ! 18\n \"Mixed Tundra \", & ! 19\n \"Barren Tundra \", & ! 20\n \"Lake (if from WRFv3.8 or later) \", & ! 21\n \"~~~unassigned~~~ \", & ! 22\n \"~~~unassigned~~~ \", & ! 23\n \"~~~unassigned~~~ \", & ! 24\n \"~~~unassigned~~~ \", & ! 25\n \"~~~unassigned~~~ \", & ! 26\n \"~~~unassigned~~~ \", & ! 27\n \"~~~unassigned~~~ \", & ! 28\n \"~~~unassigned~~~ \", & ! 29\n \"~~~unassigned~~~ \", & ! 30\n \"Low Intensity Residential \", & ! 31\n \"High Intensity Residential \", & ! 32\n \"Industrial or Commercial \" /) ! 33\n\n CHARACTER(LEN=48), PARAMETER :: lucatnlcd50 ( 50 ) = & ! NLCD-MODIS 50\n (/ \"Open Water \", & ! 1\n \"Perennial Ice-Snow \", & ! 2\n \"Developed Open Space \", & ! 3\n \"Developed Low Intensity \", & ! 4\n \"Developed Medium Intensity \", & ! 5\n \"Developed High Intensity \", & ! 6\n \"Barren Land (Rock-Sand-Clay) \", & ! 7\n \"Unconsolidated Shore \", & ! 8\n \"Deciduous Forest \", & ! 9\n \"Evergreen Forest \", & ! 10\n \"Mixed Forest \", & ! 11\n \"Dwarf Scrub \", & ! 12\n \"Shrub-Scrub \", & ! 13\n \"Grassland-Herbaceous \", & ! 14\n \"Sedge-Herbaceous \", & ! 15\n \"Lichens \", & ! 16\n \"Moss \", & ! 17\n \"Tundra \", & ! 18\n \"Pasture-Hay \", & ! 19\n \"Cultivated Crops \", & ! 20\n \"Woody Wetlands \", & ! 21\n \"Palustrine Forested Wetland \", & ! 22\n \"Palustrine Scrub-Shrub Wetland \", & ! 23\n \"Estuarine Forested Wetland \", & ! 24\n \"Estuarine Scrub-Shrub Wetland \", & ! 25\n \"Emergent Herbaceous Wetlands \", & ! 26\n \"Palustrine Emergent Wetland \", & ! 27\n \"Estuarine Emergent Wetland \", & ! 28\n \"Palustrine Aquatic Bed \", & ! 29\n \"Estuarine Aquatic Bed \", & ! 30\n \"Water \", & ! 31\n \"Evergreen Needleleaf Forest \", & ! 32\n \"Evergreen Broadleaf Forest \", & ! 33\n \"Deciduous Needleleaf Forest \", & ! 34\n \"Deciduous Broadleaf Forest \", & ! 35\n \"Mixed Forests \", & ! 36\n \"Closed Shrublands \", & ! 37\n \"Open Shrublands \", & ! 38\n \"Woody Savannas \", & ! 39\n \"Savannas \", & ! 40\n \"Grasslands \", & ! 41\n \"Permanent Wetlands \", & ! 42\n \"Croplands \", & ! 43\n \"Urban and Built Up \", & ! 44\n \"Cropland-Natural Vegetation Mosaic \", & ! 45\n \"Permanent Snow and Ice \", & ! 46\n \"Barren or Sparsely Vegetated \", & ! 47\n \"IGBP Water \", & ! 48\n \"unclassified \", & ! 49\n \"fill value \" /) ! 50\n\n CHARACTER(LEN=48), PARAMETER :: lucatnlcd40 ( 40 ) = & ! NLCD-MODIS 40\n (/ \"Evergreen Needleleaf Forest \", & ! 1\n \"Evergreen Broadleaf Forest \", & ! 2\n \"Deciduous Needleleaf Forest \", & ! 3\n \"Deciduous Broadleaf Forest \", & ! 4\n \"Mixed Forest \", & ! 5\n \"Closed Shrublands \", & ! 6\n \"Open Shrublands \", & ! 7\n \"Woody Savanna \", & ! 8\n \"Savanna \", & ! 9\n \"Grasslands \", & ! 10\n \"Permanent Wetlands \", & ! 11\n \"Croplands \", & ! 12\n \"Urban and Built-up \", & ! 13\n \"Cropland-Natural Vegetation Mosaic \", & ! 14\n \"Snow and Ice \", & ! 15\n \"Barren or Sparsely Vegetated \", & ! 16\n \"IGBP water \", & ! 17\n \"unclassified \", & ! 18\n \"fill value (normally ocean water) \", & ! 19\n \"unclassified \", & ! 20\n \"Open water \", & ! 21\n \"Perrenial Ice/snow \", & ! 22\n \"Developed open space \", & ! 23\n \"Developed Low Intensity \", & ! 24\n \"Developed Medium Intensity \", & ! 25\n \"Developed High Intensity \", & ! 26\n \"Barren Land \", & ! 27\n \"Deciduous Forest \", & ! 28\n \"Evergreen Forest \", & ! 29\n \"Mixed Forest \", & ! 30\n \"Dwarf Scrub \", & ! 31\n \"Shrub/Scrub \", & ! 32\n \"Grassland/Herbaceous \", & ! 33\n \"Sedge/Herbaceous \", & ! 34\n \"Lichens \", & ! 35\n \"Moss \", & ! 36\n \"Pasture/Hay \", & ! 37\n \"Cultivated Crops \", & ! 38\n \"Woody Wetland \", & ! 39\n \"Emergent Herbaceous Wetland \" /) ! 40\n\nEND MODULE lucats\n" }, { "path": "PREP/mcip/src/mapfac_lam.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nREAL FUNCTION mapfac_lam (phi, phi1, phi2)\n\n!-------------------------------------------------------------------------------\n! Name: Map-Scale Factor for Lambert conformal projection.\n! Purpose: Calculates map-scale factors for secant Lambert conformal projection\n! from latitude and true latitudes.\n! Notes: Equations taken from \"Numerical Prediction and Dynamic Meteorology\",\n! Second Edition, by George J. Haltiner and Roger Terry Williams\n! (1980), pp. 13-14. (Equations modified; see comments in code.)\n! Revised: 03 Sep 2009 Original version. (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n!-------------------------------------------------------------------------------\n\n IMPLICIT NONE\n\n REAL(8) :: deg2rad ! convert degrees to radians\n REAL, INTENT(IN) :: phi ! latitude [deg]\n REAL(8) :: phirad ! latitude [rad]\n REAL, INTENT(IN) :: phi1 ! true latitude 1 [deg]\n REAL(8) :: phi1rad ! true latitude 1 [rad]\n REAL, INTENT(IN) :: phi2 ! true latitude 2 [deg]\n REAL(8) :: phi2rad ! true latitude 2 [rad]\n REAL(8) :: pi\n REAL(8) :: piover4 ! pi/4\n REAL(8) :: sinphi0 ! cone constant\n REAL(8) :: term1\n REAL(8) :: term2\n REAL(8) :: term3\n REAL(8) :: term4\n REAL(8) :: term5\n\n!-------------------------------------------------------------------------------\n! Compute constants.\n!-------------------------------------------------------------------------------\n\n piover4 = DATAN(1.0d0)\n pi = 4.0d0 * piover4\n deg2rad = pi / 1.8d2\n\n!-------------------------------------------------------------------------------\n! Compute cone constant, SINPHI0. (\"K\" in Haltiner and Williams, Eqn. 1-40.)\n!-------------------------------------------------------------------------------\n\n phi1rad = DBLE(phi1) * deg2rad ! convert PHI1 from degrees to radians\n phi2rad = DBLE(phi2) * deg2rad ! convert PHI2 from degrees to radians\n\n term1 = DTAN (piover4 - phi1rad/2.0d0)\n term2 = DTAN (piover4 - phi2rad/2.0d0)\n\n sinphi0 = DLOG ( DCOS(phi1rad) / DCOS(phi2rad) )\n sinphi0 = sinphi0 / DLOG (term1 / term2)\n\n!-------------------------------------------------------------------------------\n! Compute map-scale factor, MAPFAC.\n!\n! M(phi) = (COS phi / COS phi1)**(K - 1) * ((1 + SIN phi1) / (1 + SIN phi))**K\n\n! Note: Original equation in Haltiner and Williams (1-40) is incorrect because\n! K-1 and K are exponents rather than multiplicative terms.\n!-------------------------------------------------------------------------------\n\n phirad = DBLE(phi) * deg2rad ! convert PHI from degrees to radians\n\n term3 = DCOS(phirad) / DCOS(phi1rad)\n term4 = sinphi0 - 1.0\n term5 = (1.0d0 + DSIN(phi1rad)) / (1.0d0 + DSIN(phirad))\n\n mapfac_lam = REAL(term3**term4 * term5**sinphi0)\n\nEND FUNCTION mapfac_lam\n" }, { "path": "PREP/mcip/src/mapfac_merc.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nREAL FUNCTION mapfac_merc (phi)\n\n!-------------------------------------------------------------------------------\n! Name: Map-Scale Factor for Mercator projection\n! Purpose: Calculates map-scale factors for Mercator projection from latitude.\n! Notes: Equation taken from \"Numerical Prediction and Dynamic Meteorology\",\n! Second Edition, by George J. Haltiner and Roger Terry Williams\n! (1980), pp. 13.\n! Revised: 15 Sep 2009 Original version. (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n!-------------------------------------------------------------------------------\n\n IMPLICIT NONE\n\n REAL(8) :: deg2rad ! convert degrees to radians\n REAL, INTENT(IN) :: phi ! latitude [deg]\n REAL(8) :: phirad ! latitude [rad]\n REAL(8) :: pi\n REAL(8) :: piover4 ! pi/4\n\n!-------------------------------------------------------------------------------\n! Compute constants.\n!-------------------------------------------------------------------------------\n\n piover4 = DATAN(1.0d0)\n pi = 4.0d0 * piover4\n deg2rad = pi / 1.8d2\n\n!-------------------------------------------------------------------------------\n! Compute map-scale factor, MAPFAC.\n!\n! M(phi) = COS phi0 / COS phi\n!\n! where phi0 is the latitude of the \"true\" projection (assumed to be equator)\n!-------------------------------------------------------------------------------\n\n phirad = DBLE(phi) * deg2rad ! convert PHI from degrees to radians\n\n mapfac_merc = REAL( 1.0d0 / DCOS(phirad) )\n\nEND FUNCTION mapfac_merc\n" }, { "path": "PREP/mcip/src/mapfac_ps.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nREAL FUNCTION mapfac_ps (phi, phi1)\n\n!-------------------------------------------------------------------------------\n! Name: Map-Scale Factor for polar stereographic projection.\n! Purpose: Calculates map-scale factors for polar stereographic projection\n! from latitude.\n! Notes: Equation taken from \"Numerical Prediction and Dynamic Meteorology\",\n! Second Edition, by George J. Haltiner and Roger Terry Williams\n! (1980), pp. 11-13.\n! Revised: 24 Sep 2009 Original version. (T. Otte)\n! 21 Sep 2010 Corrected error in calculation that assumed that\n! true latitude was at the pole. Now calculation\n! correctly accounts for true latitude. (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n!-------------------------------------------------------------------------------\n\n IMPLICIT NONE\n\n REAL(8) :: deg2rad ! convert degrees to radians\n REAL(8) :: hemi ! +/-1 for Northern/Southern Hemis\n REAL, INTENT(IN) :: phi ! latitude [deg]\n REAL(8) :: phirad ! latitude [rad]\n REAL(8) :: phi1rad ! true latitude 1 [rad]\n REAL, INTENT(IN) :: phi1 ! true latitude 1 [deg]\n REAL(8) :: pi\n REAL(8) :: piover4 ! pi/4\n\n!-------------------------------------------------------------------------------\n! Compute constants.\n!-------------------------------------------------------------------------------\n\n piover4 = DATAN(1.0d0)\n pi = 4.0d0 * piover4\n deg2rad = pi / 1.8d2\n\n!-------------------------------------------------------------------------------\n! Compute map-scale factor, MAPFAC.\n!\n! M(phi) = (1 + SIN(hemi*phi1)) / (1 + SIN phi)\n!-------------------------------------------------------------------------------\n\n hemi = DSIGN( 1.0d0, DBLE(phi1) )\n phirad = DBLE(phi) * deg2rad ! convert PHI from degrees to radians\n phi1rad = DBLE(phi1) * deg2rad ! convert PHI1 from degrees to radians\n\n mapfac_ps = REAL( (1.0d0 + hemi * DSIN(phi1rad)) / (1.0d0 + DSIN(phirad)) )\n\nEND FUNCTION mapfac_ps\n" }, { "path": "PREP/mcip/src/mcip.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nPROGRAM mcip\n\n!-------------------------------------------------------------------------------\n! Name: Meteorology-Chemistry Interface Processor\n! Purpose: Generates a complete set of meteorological data for transport\n! processors of Models-3 CTM.\n! Revised: 25 Jan 1997 Original version. (D. Byun)\n! 20 May 1997 Adapted for Models-3 BETA system. (D. Byun)\n! 05 Nov 1997 Nonhydrostatic/hydrostatic output function. (D. Byun)\n! 04 Feb 1998 Changed include method for nonglobals. (D. Byun)\n! 13 Mar 1998 Get JUDATE in YYYYDDD. (J. Young)\n! 24 Mar 1998 Added SOLAR to calculate radiation. (A. Bourgeois)\n! 20 Sep 2001 Rewrote and restructured entire program.\n! Converted to free-form f90. Added, deleted, and\n! modified several subroutines, variables, and\n! modules. (T. Otte)\n! 03 Oct 2001 Added call to WRGDESC to write GRIDDESC file. (T. Otte)\n! 29 Jan 2002 Created module DATE_TIME for SDATE and STIME. Altered\n! format for successful end-of-program. (T. Otte)\n! 03 Aug 2004 Added initialization of I/O API. Added flag to create\n! static output (grid) files. (T. Otte)\n! 26 May 2005 Changed replaced call to SETUPMM5 with call to SETUP\n! to make code more general. (T. Otte)\n! 11 Aug 2005 Added calls to new routines ALLOC_DEPV, INIT_DEPV,\n! and DEALLOC_DEPV. (T. Otte)\n! 09 Apr 2007 Added option to bypass dry deposition velocity\n! calculations in MCIP so that they can be performed\n! in the CCTM. (T. Otte)\n! 28 Apr 2008 Added user option to process observed cloud fields\n! for satellite photolysis adjustment. Requires\n! additional data sets and preprocessing package\n! available from University of Alabama at Huntsville.\n! Contributed by University of Alabama at Huntsville.\n! (A. Biazar and T. Otte)\n! 25 Aug 2009 Added calls to ALLOC_LU, INIT_LU, and DEALLOC_LU to\n! set up land-use classification information. (T. Otte)\n! 12 Feb 2010 Removed unused variable GMT from subroutines GETSDT\n! and DYNFLDS. (T. Otte)\n! 19 Mar 2010 Added echo of metadata summary to MCIP log file.\n! (T. Otte)\n! 09 Sep 2010 Removed option to compute dry deposition velocities\n! in MCIP. Removed arguments SDATE and STIME from\n! subroutine DYNFLDS. (T. Otte)\n! 30 Aug 2011 Changed name of module FILE to FILES to avoid conflict\n! with F90 protected intrinsic. Removed calls to\n! ALLOC_LU, DEALLOC_LU, and INIT_LU. (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n! 13 Feb 2018 Added optional output files for land use, soil, and\n! mosaic data. Changed print statement preceding the\n! printing of metadata in the log file. (T. Spero)\n! 27 Jun 2018 Added call to INIT_CTM. (T. Spero)\n! 14 Sep 2018 Removed support for MM5v3 input. (T. Spero)\n! 18 Dec 2018 Separated parsing and processing of output fields on\n! the CCTM grid from the output routines. Removed\n! runtime option to not output time-independent files.\n! (T. Spero)\n! 09 Jul 2019 Remove argument CTMLAYS from subroutine READNML.\n! (T. Spero)\n!-------------------------------------------------------------------------------\n\n USE mcipparm\n USE date_pack\n USE date_time\n USE files\n\n IMPLICIT NONE\n\n REAL :: ctmlays ( maxlays )\n LOGICAL :: first = .TRUE.\n CHARACTER(LEN=24) :: mcip_next ! YYYY-MO-DD-HH:MI:SS.SSSS\n CHARACTER(LEN=24) :: mcip_now ! YYYY-MO-DD-HH:MI:SS.SSSS \n\n!-------------------------------------------------------------------------------\n! Error, warning, and informational messages.\n!-------------------------------------------------------------------------------\n\n CHARACTER(LEN=256), PARAMETER :: f100 = \"(//, 1x, 78('~'), &\n & /, 1x, '~~~ Processing meteorology for time = ', a, &\n & /, 1x, 78('~'), /)\"\n\n CHARACTER(LEN=256), PARAMETER :: f200 = \"(//, 1x, 78('~'), &\n & /, 1x, '~~~ Metadata summary', &\n & /, 1x, 78('~'), /)\"\n\n!-------------------------------------------------------------------------------\n! Initialize I/O API.\n!-------------------------------------------------------------------------------\n\n CALL init_io\n\n!-------------------------------------------------------------------------------\n! Read user options from namelist.\n!-------------------------------------------------------------------------------\n\n CALL vstamp\n CALL readnml\n\n mcip_now = mcip_start\n CALL getsdt (mcip_now, sdate, stime)\n\n!-------------------------------------------------------------------------------\n! Set up input meteorology.\n!-------------------------------------------------------------------------------\n\n CALL setup (ctmlays)\n\n!-------------------------------------------------------------------------------\n! Set up grid definitions from input meteorology and user input.\n!-------------------------------------------------------------------------------\n\n CALL setgriddefs\n\n!-------------------------------------------------------------------------------\n! Allocate necessary arrays.\n!-------------------------------------------------------------------------------\n\n CALL alloc_met\n CALL alloc_x\n CALL alloc_ctm\n\n!-------------------------------------------------------------------------------\n! Initialize arrays.\n!-------------------------------------------------------------------------------\n\n CALL init_met\n CALL init_x\n CALL init_ctm\n\n!-------------------------------------------------------------------------------\n! Fill vertical arrays.\n!-------------------------------------------------------------------------------\n\n CALL vertarys (ctmlays)\n\n!-------------------------------------------------------------------------------\n! Loop over time to get input, process fields, and write output.\n!-------------------------------------------------------------------------------\n\n timeloop: DO\n\n WRITE (*,f100) mcip_now\n\n CALL getmet (mcip_now) ! Read input meteorology file.\n\n IF ( first ) THEN\n CALL statflds ! Put time-independent fields on MCIP grid\n CALL gridproc ! Parse and process time-independent data.\n first = .FALSE.\n ENDIF\n\n CALL dynflds ! Put time-varying fields on MCIP grid.\n\n CALL ctmproc ! Parse and process time-varying data.\n CALL gridout (sdate, stime) ! Output time-independent data.\n CALL ctmout (mcip_now, sdate, stime) ! Output time-varying data.\n\n\n ! Update SDATE and STIME for next I/O API header.\n\n CALL geth_newdate (mcip_next, mcip_now, intvl*60)\n IF ( mcip_next > mcip_end ) EXIT timeloop\n mcip_now = mcip_next\n CALL getsdt (mcip_now, sdate, stime)\n\n ENDDO timeloop\n\n WRITE (*,f200)\n WRITE (*,'(a)') fdesc(:)\n\n!-------------------------------------------------------------------------------\n! Deallocate arrays.\n!-------------------------------------------------------------------------------\n\n CALL dealloc_met\n CALL dealloc_x\n CALL dealloc_ctm\n\n!-------------------------------------------------------------------------------\n! Close output files.\n!-------------------------------------------------------------------------------\n\n CALL close_files\n\n WRITE (*,'(//, a)') 'NORMAL TERMINATION'\n\nEND PROGRAM mcip\n" }, { "path": "PREP/mcip/src/mcipparm_mod.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nMODULE mcipparm\n\n!-------------------------------------------------------------------------------\n! Name: MCIP Parameters\n! Purpose: Contains MCIP parameters.\n! Revised: 28 Jan 1997 Original version. (D. Byun)\n! 16 May 1997 Moved land use parameters into LANDPARM.EXT. (???)\n! 23 May 1997 Include MAXI, MAXJ, MAXK definitions. (???)\n! 01 May 2000 Added NTHIK=0 option. (???)\n! 20 Sep 2001 Converted to free-form f90 and changed name from\n! MCIPPARM.EXT to module_mcipparm.F. Removed\n! explicit parameter definitions of grid dimensions.\n! Added several variables formerly contained in\n! MCIPCOM such that all user definitions (aside from\n! those in the input meteorology) are contained in\n! this module. Added two new dry deposition species\n! for atrazine. (T. Otte)\n! 03 Oct 2001 Added variable COORDNAM. (T. Otte)\n! 14 Jan 2002 Added new dry deposition species, methanol.\n! (Y. Wu and T. Otte)\n! 09 Jun 2003 Added new dry deposition species: N2O5, NO3, and\n! generic aldehyde. Removed dry deposition species,\n! ATRA and ATRAP, from output. (D. Schwede and T. Otte)\n! 11 Aug 2004 Modified code so that arrays are made available in\n! output only if user options in MM5 generate those\n! data, so NQSPECIES and NPXFIELDS are new variables.\n! Added T2OUT. Removed MAXVAR and LUTYPE. Moved LWATER\n! here from LRADMDAT. (T. Otte)\n! 29 Nov 2004 Added IFLUFRC to determine if fractional land use\n! fields will be processed. Added NUMMETLU to include\n! number of land use categories in incoming meteorology\n! data. (T. Otte)\n! 26 May 2005 Removed NDX and option to interpolate to finer scale\n! meteorology. Removed I0LUSE, J0LUSE, and BMAX, which\n! are no longer used. Removed NDEP and made its usage\n! explicit in PBLPKG and RADMDRY. Removed IWIND and\n! made its usage explicit in VERTHYD. Changed NCG_I and\n! NCG_J to NCG_X and NCG_Y, changed I0 and J0 to X0 and\n! Y0, and changed LPRT_METI and LPRT_METJ to LPRT_METX\n! and LPRT_METY to make code more general. Added\n! new variables LDDGAS, LDDCL, and LDDHG to account for\n! optional dry deposition of chlorine and mercury\n! species. Allowed LTOTG to be defined later from\n! LDDGAS, LDDCL, and LDDHG. Increased MAXLAYS from 50\n! to 100. Added logical variable NEEDLAYERS to allow\n! users to use all input meteorology layers in MCIP\n! without specifying in the namelist a priori. (T. Otte)\n! 19 Aug 2005 Removed unused variables NO_MAX and NO_MIN. Updated\n! comment on definition of ISESN. (T. Otte)\n! 01 Aug 2007 Added IMPLICIT NONE. Removed user options for LPBL,\n! LRAD, LCLD, and LHYDOUT. Updated comment for LDDEP\n! to reflect new option (0) and removed options (1-3).\n! Removed RADMdry variable ISESN. Removed T2OUT.\n! Moved IFT2M and IFW10M from module METINFO. Created\n! new variables IFVEG, IFLAI, IFMOL, IFRESIST, IFWR, and\n! IFSOIL. Eliminated logical variable PX and NPXFIELDS.\n! Eliminated two obsolete chlorine species. Moved\n! program and version descriptors from VSTAMP to here.\n! Added array FDESC to capture metadata. (T. Otte)\n! 03 Nov 2008 Removed NTHIKD and NBNDYD. Added IFQ2M, IFTKE, IFTKEF,\n! and ERADM. Increased number of dry deposition species\n! from 26 to 31. Updated release stamp. (T. Otte)\n! 24 Nov 2008 Updated release stamp. (T. Otte)\n! 23 Dec 2008 Added user-definable reference latitude for WRF\n! Lambert conformal data sets. Best used for\n! consistency with existing MM5 data sets. Updated\n! release stamp. (T. Otte)\n! 29 Oct 2009 Added user-definable option to compute and output\n! 3D potential vorticity (LPV). Added user-definable\n! option to output meteorological model's vertical\n! velocity (WWIND). Added user-definable option to\n! output u- and v-component winds on C-staggered grid.\n! Added logical variable IFLUWRFOUT to determine if\n! land use fractions are in WRF output or GEOGRID output.\n! Added logical variable IFZNT to determine if roughness\n! length is in input meteorological model file. Updated\n! release stamp. (T. Otte)\n! 19 Mar 2010 Updated release stamp. (T. Otte)\n! 20 Jan 2011 Removed option to compute dry deposition velocities\n! in MCIP. Added logical variable NEEDSEAICE to cue\n! approximation of sea ice field if it is not available\n! in input. Moved LWATER to be a local variable in\n! GETLUSE. Updated release stamp. (T. Otte)\n! 01 Sep 2011 Replaced module FDESC3 with I/O API module M3UTILIO.\n! Replaced F77 character declarations with F90 standard.\n! (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n! 09 Sep 2011 Updated release stamp. (T. Otte)\n! 11 May 2012 Updated release stamp. (T. Otte)\n! 21 Aug 2012 Updated release stamp. (T. Otte)\n! 11 Sep 2012 Updated release stamp. (T. Otte)\n! 30 Sep 2013 Updated release stamp. (T. Otte)\n! 26 Nov 2014 Updated release stamp. (T. Spero)\n! 27 Apr 2015 Added logical variable IFCLD3D to indicate if 3D cloud\n! fraction field is available in incoming meteorological\n! model output and represents resolved cloud fraction.\n! Updated release stamp. (T. Spero)\n! 25 Aug 2015 Added variable IFMOLACM to control whether Monin-\n! Obukhov length calculation will be updated with\n! \"corrector\" portion of predictor-corrector from\n! WRF/ACM2. Updated release stamp. (T. Spero)\n! 08 Sep 2015 Updated release stamp. (T. Spero)\n! 17 Sep 2015 Changed IFMOLACM to IFMOLPX. Updated release stamp.\n! (T. Spero)\n! 20 Jun 2017 Updated release stamp. (T. Spero)\n! 16 Mar 2018 Added variables TTOL_SEC, IFLU2WRFOUT, IFMOSAIC, \n! NUMMOSAIC, and METSOI. Removed variables MAXLUC,\n! METROW, and METCOL. Updated release stamp. (T. Spero)\n! 27 Jun 2018 Added netCDF fill value (FILLREAL and FILLINT) and\n! missing value (XMISSING) tokens. Added counters for\n! number of output fields in each category. (T. Spero)\n! 18 Dec 2018 Updated to use new data structures. Added runtime\n! option to choose output format. Updated release\n! stamp. (T. Spero)\n! 19 Jun 2019 Removed layer collapsing. Added flag for new surface\n! variables with PX LSM that can improve dust\n! simulation in CCTM. Changed variable LUVCOUT to\n! LUVBOUT to reflect that the default 3D wind components\n! are now on the Arakawa-C staggered grid, and the\n! optional additional 3D winds are on the Arakawa-B\n! staggered grid. Added a flag to indicate if the\n! convective scheme included radiative feedbacks. Added\n! a flag for extra variables available with KF convective\n! scheme with radiative feedbacks. (T. Spero)\n! 15 Jul 2019 Updated release stamp. (T. Spero)\n! 21 Nov 2019 Updated release stamp. (T. Spero)\n! 06 Mar 2020 Updated the version stamp. (T. Spero)\n! 30 Jun 2021 Updated the version stamp. Beginning with this\n! release, version for MCIP will become consistent\n! with CMAQ. Therefore, the versioning skips from \n! MCIPv5.1 to MCIPv5.3.3. (T. Spero)\n! 12 Jul 2022 Updated version stamp. (M. Mallard)\n! 19 Sep 2024 Updated version stamp. (T. Spero)\n!-------------------------------------------------------------------------------\n\n USE m3utilio, ONLY: mxdesc3\n\n IMPLICIT NONE\n\n!-------------------------------------------------------------------------------\n! Token parameters for netCDF.\n!-------------------------------------------------------------------------------\n\n INTEGER, PARAMETER :: fillint = -9e8 ! netCDF _FillValue\n REAL, PARAMETER :: fillreal = -9.0e20 ! netCDF _FillValue\n REAL, PARAMETER :: xmissing = -1.0e20 ! netCDF missing_value\n\n!-------------------------------------------------------------------------------\n! Dimensions for netCDF output.\n!-------------------------------------------------------------------------------\n\n INTEGER :: nlucat\n INTEGER :: nmos\n INTEGER :: nperim\n INTEGER :: nsoi\n INTEGER :: nsoicat\n INTEGER :: nx\n INTEGER :: nxp1 ! nx + 1\n INTEGER :: ny\n INTEGER :: nyp1 ! ny + 1\n INTEGER :: nz\n INTEGER :: nzp1 ! nz + 1\n\n!-------------------------------------------------------------------------------\n! Number of output fields in each category.\n!-------------------------------------------------------------------------------\n\n INTEGER :: nfld2dxy ! time-independent 2d cell centers\n INTEGER :: nfld2dxy_d ! time-independent 2d cell corners/faces\n INTEGER :: nfld2dxyt ! time-varying 2d cell centers\n INTEGER :: nfld3dxyl ! time-independent 3d (lu) cell centers\n INTEGER :: nfld3dxym ! time-independent 3d (mos) cell centers\n INTEGER :: nfld3dxymt ! time-3d (mos) cell centers\n INTEGER :: nfld3dxyst ! time-varying 3d (soil) cell centers\n INTEGER :: nfld3dxyzt ! time-varying 3d cell centers\n INTEGER :: nfld3dxyzt_d ! time-varying 3d cell corners/faces\n INTEGER :: nfld3dxyzt_q ! time-varying 3d cell centers (moisture)\n\n!-------------------------------------------------------------------------------\n! Dimensions of CTM domain.\n!-------------------------------------------------------------------------------\n\n INTEGER :: ncols ! number of grid columns (X direction)\n INTEGER :: nrows ! number of grid rows (Y direction)\n INTEGER :: nlays ! number of vertical layers\n INTEGER, PARAMETER :: nthik = 1 ! boundary thickness (cells)\n INTEGER :: nbndy ! number of cells in one layer of boundary\n INTEGER :: nbdrytrim ! number of meteorology \"boundary\" points\n ! to remove (on each of four sides)\n INTEGER :: ncg_x ! coarse grid X\n INTEGER :: ncg_y ! coarse grid Y\n\n INTEGER, PARAMETER :: maxlays = 100 ! max allowed in NLAYS\n\n INTEGER, PARAMETER :: ttol_sec = 300 ! time tolerance [in seconds] for output\n ! from the meteorological model to\n ! deviate from valid time and still be\n ! considered valid at that time\n\n!-------------------------------------------------------------------------------\n! Dimensions of \"X\" domain (CTM + BNDARY area).\n!-------------------------------------------------------------------------------\n\n INTEGER :: metlay ! met. grid dimension for layers\n INTEGER :: metsoi ! number of soil layers\n INTEGER :: nrows_x\n INTEGER :: ncols_x\n\n!-------------------------------------------------------------------------------\n! Other dimensional parameters.\n!-------------------------------------------------------------------------------\n\n INTEGER :: nqspecies ! number of hydrometeor species in met\n INTEGER :: nummetlu ! number of met. land use categories\n INTEGER :: nummosaic ! number of mosaic land use categories\n REAL :: eradm ! earth radius [m]\n REAL :: wrf_lc_ref_lat ! WRF Lambert conformal ref. latitude\n\n!-------------------------------------------------------------------------------\n! Flags to indicate whether or not fields are available in input meteorology.\n!-------------------------------------------------------------------------------\n\n LOGICAL :: ifcld3d ! 3D resolved clouds in input file?\n LOGICAL :: ifcuradfdbk ! cumulus-radiative feedbacks used?\n LOGICAL :: ifkfradextras ! KF-radiative feedbacks extra arrays?\n LOGICAL :: iflai ! leaf area index in input file?\n LOGICAL :: iflufrc ! fractional land use available?\n LOGICAL :: ifluwrfout ! is fractional land use in WRF history?\n LOGICAL :: iflu2wrfout ! is fractional land use 2 in WRF history?\n LOGICAL :: ifmol ! Monin-Obukhov length in input file?\n LOGICAL :: ifmolpx ! MOL to be updated from WRF/PX?\n LOGICAL :: ifmosaic ! NOAH Mosaic LSM used in WRF?\n LOGICAL :: ifpxwrf41 ! WRFv4.1 + PX additional sfc vars?\n LOGICAL :: ifq2m ! 2-m mixing ratio in input file?\n LOGICAL :: ifrcurb ! get PURB from urban canopy model?\n LOGICAL :: ifresist ! aero and stom resistances in input file?\n LOGICAL :: ifsoil ! soil mois, temp, and type in input file?\n LOGICAL :: ift2m ! 2-m temperature in input file?\n LOGICAL :: iftke ! turbulent kinetic energy in input file?\n LOGICAL :: iftkef ! TKE (if exists) on full levels?\n LOGICAL :: ifveg ! vegetation fraction in input file?\n LOGICAL :: ifw10m ! 10-m wind components in input file?\n LOGICAL :: ifwr ! canopy wetness in input file?\n LOGICAL :: ifznt ! roughness length in input file?\n LOGICAL :: needseaice ! sea ice in input file?\n\n!-------------------------------------------------------------------------------\n! Run Options.\n!-------------------------------------------------------------------------------\n\n INTEGER :: lpv ! user input: 0 = Do not compute or output PV\n ! 1 = Compute and output PV\n\n INTEGER :: lwout ! user input: 0 = Do not output WWIND\n ! 1 = Output WWIND\n\n INTEGER :: luvbout ! user input: 0 = Do not output UWIND and VWIND,\n ! and use UWINDC and VWINDC instead\n ! 1 = Output UWIND and VWIND\n ! in addition to UWINDC and VWINDC\n\n!-------------------------------------------------------------------------------\n! Grid/Domain Related Parameters\n!-------------------------------------------------------------------------------\n\n INTEGER :: x0 ! user input: lower-left corner of CTM on met grid\n INTEGER :: y0 ! user input: lower-left corner of CTM on met grid\n\n!-------------------------------------------------------------------------------\n! Run Time Specifications\n!-------------------------------------------------------------------------------\n\n CHARACTER(LEN=24) :: mcip_start ! user input: YYYY-MO-DD-HH:MI:SS.SSSS\n CHARACTER(LEN=24) :: mcip_end ! user input: YYYY-MO-DD-HH:MI:SS.SSSS\n\n INTEGER :: intvl ! user input: time interval for output [min]\n INTEGER :: grstep ! calculated from INTVL (HHMMSS)\n\n CHARACTER(LEN=16) :: coordnam ! user input: Coordinate name\n CHARACTER(LEN=16) :: grdnam ! user input: Grid name \n\n INTEGER :: ioform ! user input: 1 = Models-3 I/O API\n ! 2 = netCDF\n\n!-------------------------------------------------------------------------------\n! Coordinates for diagnostic prints.\n!-------------------------------------------------------------------------------\n\n INTEGER :: lprt_metx ! X-coordinate in MET domain\n INTEGER :: lprt_mety ! Y-coordinate in MET domain\n INTEGER :: lprt_col ! COL-coordinate in output domain\n INTEGER :: lprt_row ! ROW-coordinate in output domain\n INTEGER :: lprt_xcol ! COL-coordinate in X domain\n INTEGER :: lprt_xrow ! ROW-coordinate in X domain\n\n!-------------------------------------------------------------------------------\n! Program and version descriptors.\n!-------------------------------------------------------------------------------\n\n CHARACTER(LEN=80) :: fdesc ( mxdesc3 )\n CHARACTER(LEN=16), PARAMETER :: progname = 'MCIP'\n CHARACTER(LEN=10), PARAMETER :: vdate = '09/19/2024'\n CHARACTER(LEN=8), PARAMETER :: ver = 'V5.5'\n\nEND MODULE mcipparm\n" }, { "path": "PREP/mcip/src/metgrid2ctm.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nSUBROUTINE metgrid2ctm\n\n!-------------------------------------------------------------------------------\n! Name: Meteorology Grid to CTM Grid\n! Purpose: Puts time-invariant meteorology arrays on CTM grid.\n! Notes: Algorithms taken from MCIP v1 getmet_mm5.F.\n! Revised: 17 Sep 2001 Original version. (T. Otte)\n! 16 Oct 2001 Corrected error in translation between input\n! domain and MCIP \"X\" domain. (T. Otte)\n! 21 Dec 2001 Changed order of variable declarations in interface\n! to improve portability. (S. Howard and T. Otte)\n! 22 Jan 2002 Added definition of XPRSFC for non-hydrostatic\n! runs. (T. Otte)\n! 26 Mar 2003 Simplified algorithm to map input meteorology to\n! MCIP_X domain. Enabled dot-point MCIP_X arrays to\n! be filled to the correct dimensions. (T. Otte)\n! 07 Jul 2004 Removed XFLAGS. (T. Otte)\n! 21 Jan 2005 Removed NDX and option to interpolate to finer scale\n! meteorology. Changed I and J to X and Y to make\n! code more general. Added optimization of loops\n! using F90 implicit loop structures. (T. Otte and\n! D. Wong)\n! 19 Jun 2006 Removed unused variables COL, II, IIL, JJ, JJL, LU,\n! PNAME, and ROW. (T. Otte)\n! 31 Jul 2007 Removed use of MET_INHYD for MM5 processing. Removed\n! filling of XPRSFC with reference pressure here since\n! it is not used and is now saved from REFSTATE.\n! Removed dependency on module METINFO. (T. Otte)\n! 17 Sep 2009 Added map-scale factors squared (on cross points,\n! XMAPC2) to minimize repeated squaring in other places\n! in MCIP. Added latitude, longitude, and map-scale\n! factors on U and V faces. (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n!-------------------------------------------------------------------------------\n\n USE mcipparm\n USE xvars\n USE metvars\n\n IMPLICIT NONE\n\n INTEGER :: ec\n INTEGER :: er\n INTEGER :: jw\n INTEGER :: lbndface\n INTEGER :: lbndsigf\n INTEGER :: maxface\n INTEGER :: sc\n INTEGER :: sr\n INTEGER :: ubndsigf\n REAL, ALLOCATABLE :: x3workf ( : )\n\n!-------------------------------------------------------------------------------\n! Set up vertical coordinate, where XX3FACE and XX3MIDL are layer face and\n! middle definitions. XX3FACE and XX3MIDL are dimensioned in MCIPCOM\n! and increase monotonically with height.\n!-------------------------------------------------------------------------------\n\n lbndsigf = LBOUND(sigmaf,1)\n lbndface = LBOUND(xx3face,1)\n ubndsigf = UBOUND(sigmaf,1)\n maxface = lbndface + SIZE(sigmaf) - 1\n\n ALLOCATE ( x3workf ( lbndsigf:ubndsigf ) )\n\n IF ( sigmaf(lbndsigf) > sigmaf(ubndsigf) ) THEN ! NOT monotonic increase\n DO jw = lbndsigf, ubndsigf\n x3workf(jw) = sigmaf(lbndsigf) - sigmaf(jw)\n ENDDO\n ELSE\n DO jw = lbndsigf, ubndsigf\n x3workf(jw) = sigmaf(jw) - sigmaf(lbndsigf)\n ENDDO\n ENDIF\n\n xx3face(lbndface:maxface) = x3workf(lbndsigf:ubndsigf)\n\n DO jw = 1, SIZE(sigmah)\n xx3midl(jw) = 0.5 * ( xx3face(jw-1) + xx3face(jw) )\n ENDDO\n\n DEALLOCATE ( x3workf )\n\n!-------------------------------------------------------------------------------\n! Put time-invariant cross-point arrays on MCIP_X grid.\n!-------------------------------------------------------------------------------\n\n sc = x0\n ec = x0 + ncols_x - 1\n sr = y0\n er = y0 + nrows_x - 1\n\n xtopo(:,:) = terrain(sc:ec,sr:er)\n xmapc(:,:) = mapcrs (sc:ec,sr:er)\n xlatc(:,:) = latcrs (sc:ec,sr:er)\n xlonc(:,:) = loncrs (sc:ec,sr:er)\n\n xmapc2(:,:) = xmapc(:,:) * xmapc(:,:)\n\n!-------------------------------------------------------------------------------\n! Put time-invariant dot-point and face arrays on MCIP_X grid. Note that\n! the face arrays are one column or one row smaller than the dot-point arrays\n! on the physical grid, but the face arrays are oversized to the dot-point\n! array space in MCIP out of convenience.\n!-------------------------------------------------------------------------------\n\n sc = x0\n ec = x0 + ncols_x\n sr = y0\n er = y0 + nrows_x\n\n xmapd(:,:) = mapdot(sc:ec,sr:er)\n xlatd(:,:) = latdot(sc:ec,sr:er)\n xlond(:,:) = londot(sc:ec,sr:er)\n\n xmapu(:,:) = mapu(sc:ec,sr:er)\n xlatu(:,:) = latu(sc:ec,sr:er)\n xlonu(:,:) = lonu(sc:ec,sr:er)\n\n xmapv(:,:) = mapv(sc:ec,sr:er)\n xlatv(:,:) = latv(sc:ec,sr:er)\n xlonv(:,:) = lonv(sc:ec,sr:er)\n\nEND SUBROUTINE metgrid2ctm\n" }, { "path": "PREP/mcip/src/metinfo_mod.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nMODULE metinfo\n\n!-------------------------------------------------------------------------------\n! Name: Meteorology Information\n! Purpose: Contains information about the input meteorology fields.\n! Revised: 10 Sep 2001 Original version. (T. Otte)\n! 29 May 2003 Added MM5 season. (T. Otte and J. Pleim)\n! 05 Aug 2004 Added MM5 snow option (MET_SNOW_OPT), cone factor\n! (MET_CONE_FAC), and true latitude 1 (MET_TRU1).\n! Removed unused variables MET_SDATE and MET_STIME.\n! Added IFT2M. (T. Otte)\n! 31 Mar 2005 Changed variable names from I,J,K representation\n! to Y,X,Z representation to make code more general.\n! Added new variable MET_MODEL. Allowed MET_IVERSION\n! to be more generic to support MM5 and WRF. Removed\n! unused variables MET_MDATE, MET_IEXPAND, MET_IOFFSET,\n! and MET_JOFFSET. Added MET_TRU2 and IFW10M. (T. Otte)\n! 10 May 2006 Added new variables MET_PROJ_CLAT and MET_PROJ_CLON.\n! (T. Otte)\n! 30 Jul 2007 Added IMPLICIT NONE. Changed comment related to\n! MET_IVERSION to remove indicator for MM5v2-formatted\n! data. Removed variable MET_INHYD. Moved IFT2M and\n! IFW10M to module MCIPPARM. Added MET_LU_SRC, MET_NS,\n! MET_RELEASE, MET_FDDA_3DAN, MET_FDDA_SFAN, and\n! MET_FDDA_OBS. Changed MET_RADIATION into MET_LW_RAD\n! and MET_SW_RAD. (T. Otte)\n! 05 May 2008 Added nudging coefficients, earth radius, and whether\n! or not the urban canopy model was invoked (WRF only).\n! (T. Otte)\n! 22 Sep 2009 Changed MET_UCMCALL to MET_URBAN_PHYS, and allowed\n! for variable to be set to be greater than 1. Added\n! variables MET_RICTR_DOT, MET_RJCTR_DOT, MET_CEN_LAT,\n! MET_CEN_LON, MET_XXCTR, MET_YYCTR, and MET_REF_LAT.\n! (T. Otte)\n! 15 Dec 2010 Added MET_RAIN_BUCKET. (T. Otte)\n! 30 Aug 2011 Added MET_SHAL_CU. Changed F77 character declarations\n! to F90 standard. (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n! 07 Dec 2011 Added MET_FDDA_GPH3D and changed descriptions of\n! MET_FDDA_Gx3D variables. (T. Otte)\n! 21 Aug 2012 Added MET_PCP_INCR to accommodate WRFv3.2 option to\n! output incremental (rather than accumulated)\n! precipitation. (T. Otte)\n! 26 Nov 2014 Added variables for land use indices associated with\n! ice, lake, and urban (MET_LU_ICE, MET_LU_LAKE, and\n! MET_LU_URBAN). (T. Spero)\n! 22 Jun 2017 Added MET_HYBRID. (T. Spero)\n! 14 Sep 2018 Removed support for MM5v3 input. (T. Spero)\n!-------------------------------------------------------------------------------\n\n IMPLICIT NONE\n\n ! Input data format.\n\n INTEGER :: met_model ! 2=WRF (removed option: 1=MM5)\n INTEGER :: met_iversion ! 2=WRF-ARW\n CHARACTER(LEN=8) :: met_release ! release version\n\n ! Grid information.\n\n REAL :: met_cen_lat ! center latitude of this domain\n REAL :: met_cen_lon ! center longitude of this domain\n REAL :: met_cone_fac ! cone factor\n INTEGER :: met_gratio ! grid ratio w.r.t. coarse dom\n INTEGER :: met_mapproj ! map proj: 1-lamcon, 2-pol, 3-utm\n INTEGER :: met_ns ! number of soil layers\n INTEGER :: met_nx ! this domain X (E-W) dimension\n INTEGER :: met_nxcoarse ! coarse dom X (E-W) dimension\n INTEGER :: met_ny ! this domain Y (N-S) dimension\n INTEGER :: met_nycoarse ! coarse dom Y (N-S) dimension\n INTEGER :: met_nz ! number of half-sigma layers\n REAL :: met_p_alp_d ! projection alpha\n REAL :: met_p_bet_d ! projection beta\n REAL :: met_p_gam_d ! projection gamma\n REAL :: met_proj_clat ! projection center latitude [degrees]\n REAL :: met_proj_clon ! projection center longitude [degrees]\n REAL :: met_ptop ! model top [Pa]\n REAL :: met_ref_lat ! ref latitude for Lam con [degrees]\n REAL :: met_resoln ! horiz grid spacing [m]\n REAL :: met_rictr_dot ! I coord of ctr point in dot-point-space\n REAL :: met_rjctr_dot ! J coord of ctr point in dot-point-space\n REAL :: met_tapfrq ! output interval [min]\n REAL :: met_tru1 ! true latitude 1 [degrees]\n REAL :: met_tru2 ! true latitude 2 [degrees]\n REAL :: met_x_11 ! coarse dom loc of this dom's x=1\n REAL :: met_x_centd ! reference center longitude\n REAL :: met_xxctr ! distance [m] from origin to center in X\n REAL :: met_y_11 ! coarse dom loc of this dom's y=1\n REAL :: met_y_centd ! reference center latitude\n REAL :: met_yyctr ! distance [m] from origin to center in Y\n\n ! Non-hydrostatic base state variables.\n\n REAL :: met_p00 ! non-hyd ref pressure [Pa]\n REAL :: met_tiso ! non-hyd ref isothermal temp [K]\n REAL :: met_tlp ! non-hyd ref lapse [K/500 hPa]\n REAL :: met_ts0 ! non-hyd ref sfc temp [K]\n\n ! Physics options and other user input.\n\n INTEGER :: met_cumulus ! cumulus parameterization scheme\n INTEGER :: met_expl_moist ! explicit moist physics scheme\n INTEGER :: met_hybrid ! hybrid vertical coordinate in met?\n INTEGER :: met_lu_ice ! ice index in land use\n INTEGER :: met_lu_lake ! lake index in land use\n INTEGER :: met_lu_urban ! urban index in land use\n INTEGER :: met_lu_water ! water index in land use\n CHARACTER(LEN=19) :: met_lu_src ! source of land use categorization\n INTEGER :: met_lw_rad ! longwave radiation scheme\n INTEGER :: met_pbl ! PBL scheme\n INTEGER :: met_pcp_incr ! Time increment [min] for precip\n REAL :: met_rain_bucket ! Tipping bucket for precipitation\n INTEGER :: met_sfc_lay ! surface layer scheme\n INTEGER :: met_shal_cu ! shallow convection option\n INTEGER :: met_soil_lsm ! surface/soil scheme or LSM\n INTEGER :: met_snow_opt ! snow option\n INTEGER :: met_sw_rad ! shortwave radiation scheme\n INTEGER :: met_urban_phys ! urban canopy model (WRF only)\n\n ! FDDA options.\n\n INTEGER :: met_fdda_3dan ! 3d nudging? (0=no, 1=GRID, 2=SPEC)\n INTEGER :: met_fdda_obs ! obs nudging? (0=no, 1=yes)\n INTEGER :: met_fdda_sfan ! sfc analysis nudging? (0=no, 1=GRID)\n\n REAL :: met_fdda_gv3d ! 3d nudging coeff. for wind\n REAL :: met_fdda_gt3d ! 3d nudging coeff. for temperature\n REAL :: met_fdda_gq3d ! 3d nudging coeff. for moisture\n REAL :: met_fdda_gph3d ! 3d nudging coeff. for geopotential\n\n REAL :: met_fdda_gvsfc ! sfc analysis nudging coeff. for wind\n REAL :: met_fdda_gtsfc ! sfc analysis nudging coeff. for temp.\n REAL :: met_fdda_gqsfc ! sfc analysis nudging coeff. for mois.\n\n REAL :: met_fdda_giv ! obs nudging coeff. for wind\n REAL :: met_fdda_git ! obs nudging coeff. for temp.\n REAL :: met_fdda_giq ! obs nudging coeff. for mois.\n\n ! Date and time information.\n\n INTEGER :: met_restart ! \"restarted\" run? (1=yes, 0=no)\n INTEGER :: met_season ! 1=summer, 2=winter\n CHARACTER(LEN=24) :: met_startdate ! YYYY-MM-DD-HH:MM:SS.SSSS\n\nEND MODULE metinfo\n" }, { "path": "PREP/mcip/src/metvars2ctm.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nSUBROUTINE metvars2ctm\n\n!-------------------------------------------------------------------------------\n! Name: Meteorology Variables to CTM (X) Grid\n! Purpose: Puts time-variant meteorology arrays on CTM (X) grid.\n! Notes: MM5 algorithms taken from original getmet_mm5.F. Vegetation\n! information does not include seasonal changes.\n! Revised: 20 Sep 2001 Original version. (T. Otte)\n! 03 Oct 2001 Updated calculation of XRNET. (T. Otte and J. Pleim)\n! 16 Oct 2001 Corrected error in translation between input\n! domain and MCIP \"X\" domain. (T. Otte)\n! 21 Dec 2001 Changed order of variable declarations in interface\n! to improve portability. (S. Howard and T. Otte)\n! 23 Jan 2002 Changed calls to \"abort\" to calls to \"m3exit\" for\n! graceful shut-down of I/O API files. Added updates\n! to XFLAGS for variables filled here. Changed missing\n! value on XRSTOM to BADVAL3. (T. Otte)\n! 26 Mar 2003 Simplified algorithm to map input meteorology to\n! MCIP_X domain. Enabled dot-point MCIP_X arrays to\n! be filled to the correct dimensions. (T. Otte)\n! 29 May 2003 Added minimum leaf area index and vegetation values\n! to represent winter conditions for USGS land use.\n! LAI and VEG are based on values used by Vegeland (for\n! P-X) in MM5. Also added F2 as a function of USGS land\n! use. Added translation of snow cover to MCIP_X domain.\n! (T. Otte, J. Pleim, and D. Schwede)\n! 09 Aug 2004 Added graupel processing. Added 2-m temperature, if\n! it is available from incoming meteorology. Removed\n! XFLAGS. (T. Otte and D. Schwede)\n! 26 May 2005 Removed NDX and option to interpolate to finer scale\n! meteorology. Added optimization of loops using F90\n! implicit loop structures. Removed unused variables\n! REGIME and MAVAIL. Changed XUU and XVV to XUU_D and\n! XVV_D, and changed definitions to be input model-\n! specific. Added definitions of XUU_S and XVV_T.\n! Added contents of MET3DSUP. Added WRF algorithms.\n! Added processing of 10-m wind components. Added\n! floor value for QV. (T. Otte)\n! 19 Aug 2005 Removed unused variables FSOIL and XFSOIL. Changed\n! internal variable EPSILON to EPSILONQ to avoid\n! confusion with F90 intrinsic function. (T. Otte)\n! 13 Sep 2005 Changed logic for defining surface density from 2-m\n! temperature to prevent \"null pointer\" error with\n! PGF90 compiler. (T. Otte)\n! 19 Jun 2006 Removed dependency on module CONST_PBL. Removed\n! unused variables DETA, IIL, JJL, LVL, and LVLF1.\n! (T. Otte)\n! 30 Jul 2007 Removed algorithms that supported hydrostatic MM5\n! output (e.g., from MM5v2). Changed XUSTAR and XRADYN\n! to 2D arrays without a dimension for fractional land\n! use that was required for RADMdry. Changed 2-m\n! temperature from XT2 to XTEMP2. Removed internal\n! variables for emissivity and net radiation. Moved\n! land-use-based filling of F2 and RSTMIN to subroutine\n! RESISTCALC. Removed references to logical variable\n! \"PX\" to make code more general. (T. Otte)\n! 28 Apr 2008 Changed setting for LAI to a fixed value if NOAH LSM\n! was used with WRF and if LAI is not found in the input\n! meteorology file(s). Added 2-m mixing ratio and\n! turbulent kinetic energy. Changed to use gravitational\n! constant and dry gas constant values from MM5 system\n! rather than from CMAQ system for coordinate\n! calculations. Removed unused variable GRAVI, and\n! removed dependency on module CONST. Expanded lookup\n! tables for LAI and VEG for 33-category USGS, and\n! deleted unused lookup tables for RST. (T. Otte)\n! 29 Oct 2009 Added potential temperature and Coriolis for when\n! potential vorticity is needed. Added default values\n! of LAI and VEG for MODIS-NOAH and NLCD-MODIS land-use\n! classification systems. Changed real number\n! comparisons from \"equivalences\" to \"less than\n! tolerances\". (T. Otte)\n! 19 Mar 2010 Corrected comment that provided Jacobian equations for\n! WRF. Corrected logic in LAI algorithm for when IFLAI\n! is FALSE. (T. Otte)\n! 23 Dec 2010 Corrected scaling of XWR for WRF runs so that water\n! density is used rather than air density. (J. Pleim)\n! Added sea ice. Set ice threshold temperature over\n! water to 271.36 K to be consistent with CMAQ. (T. Otte)\n! 23 Feb 2010 Replaced statement functions with external routines.\n! (T. Otte)\n! 01 Sep 2011 Replaced module PARMS3 with I/O API module M3UTILIO.\n! Improved error handling. Replaced DATA statements\n! with parameters. (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n! 09 Sep 2011 Fill convective rain array with negative values if\n! no cumulus parameterization was used in the\n! meteorological model. Works with change to sub-grid\n! cloud scheme in CMAQv5.0. (T. Otte)\n! 10 Sep 2012 Added handling for 40-category 2006 NLCD-MODIS land\n! use classification as \"NLCD40\". Added alternate name\n! for 50-category 2001 NLCD-MODIS land use classification\n! as \"NLCD50\". Appended \"D50\" to the ends of LAINLC,\n! LAIMNNLC, VEGNLC, and VEGMNNLC to distinguish them\n! for NLCD50. Added analogous variables for NLCD40.\n! Some of the values for NCLD50 were updated with the\n! current values from module_sf_pxlsm_data.F from\n! WRFv3.4. The values for NCLD40 are also consistent\n! with the same routine. (T. Otte)\n! 24 Apr 2015 Added 3D resolved cloud fraction to output if it is\n! available in incoming meteorological model data.\n! (T. Spero)\n! 21 Aug 2015 Changed latent heat flux from QFX to LH. Fill THETA\n! and add moisture flux (QFX) for IFMOLACM. (T. Spero)\n! 17 Sep 2015 Changed IFMOLACM to IFMOLPX. (T. Spero)\n! 16 Mar 2018 Added SNOWH to output. Changed calculation of Jacobian\n! for hybrid vertical coordinate in WRF, but disabled it\n! for this release until addtional modifications and\n! testing with CMAQ can be conducted. Calculate soil\n! layer depths in XZSOIL, and map 3D soil data into 3D\n! soil arrays. Process data for NOAH Mosaic. Added\n! mapping of Noah wind speed and dynamic LAI. (T. Spero)\n! 28 Aug 2018 Enabled Jacobian calculation for hybrid vertical\n! coordinate in WRF. (T. Spero)\n! 19 Sep 2018 Removed support for MM5v3 input. Now use netCDF tokens\n! for missing data. Changed fill value for \"no cumulus\n! parameterization\" from -1 to a large negative number\n! to prevent inadverent use in CMAQ. (T. Spero)\n! 18 Jun 2019 Added new surface variables with PX LSM that can\n! improve dust simulation in CCTM. Added optional\n! variables from KF convective scheme with radiative\n! feedbacks. (T. Spero)\n! 13 May 2021 Corrected minor error in assigning bounds for XCLAY_PX\n! as identified through CMAS Forum. (T. Spero)\n!-------------------------------------------------------------------------------\n\n USE mcipparm\n USE metinfo\n USE xvars\n USE metvars\n\n IMPLICIT NONE\n\n INTEGER :: c\n INTEGER :: ec\n REAL, PARAMETER :: epsilonq = 1.0e-30\n REAL, PARAMETER :: epsilonqv = 1.0e-14\n INTEGER :: er\n REAL, PARAMETER :: giwrf = 1.0 / 9.81 ! [s2/m]\n REAL, PARAMETER :: icethresh = 271.36 ! [K]\n INTEGER :: ii\n INTEGER :: ilu\n INTEGER :: jj\n INTEGER :: k\n INTEGER :: kp1\n CHARACTER(LEN=16), PARAMETER :: pname = 'METVARS2CTM'\n REAL :: qf\n INTEGER :: r\n REAL, PARAMETER :: rdovcp = 2.0 / 7.0 ! Rd / cP\n REAL, PARAMETER :: rdwrf = 287.0 ! [J/kg/K]\n REAL, PARAMETER :: rvwrf = 461.6 ! [J/kg/K]\n INTEGER :: sc\n REAL, PARAMETER :: smallnum = 1.0e-7\n INTEGER :: sr\n REAL :: tf\n REAL, EXTERNAL :: vtemp\n REAL :: wgt1\n REAL :: wgt2\n REAL :: z0\n REAL :: z1\n REAL :: z2\n\n INTERFACE\n\n SUBROUTINE layht (xx3face, xx3midl, x3jacobf, x3jacobm, x3htf, x3htm)\n IMPLICIT NONE\n REAL, INTENT(OUT) :: x3htf ( : , : , : )\n REAL, INTENT(OUT) :: x3htm ( : , : , : )\n REAL, INTENT(IN) :: x3jacobf ( : , : , : )\n REAL, INTENT(IN) :: x3jacobm ( : , : , : )\n REAL, INTENT(IN) :: xx3face ( : )\n REAL, INTENT(IN) :: xx3midl ( : )\n END SUBROUTINE layht\n\n END INTERFACE\n\n!-------------------------------------------------------------------------------\n! Land-use based arrays.\n!-------------------------------------------------------------------------------\n\n REAL, PARAMETER :: laimod ( 33 ) = &\n (/ 5.0, 5.0, 5.0, 5.0, 5.0, 3.0, 2.0, 2.5, 2.0, &\n 2.5, 3.0, 3.0, 3.0, 3.0, 0.1, 1.0, 0.0, 3.4, &\n 2.4, 1.4, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, &\n 0.0, 0.0, 0.0, 2.2, 2.1, 2.0 /)\n\n REAL, PARAMETER :: laimnmod ( 33 ) = &\n (/ 3.0, 4.0, 1.0, 1.0, 2.0, 1.0, 1.0, 1.0, 1.0, &\n 1.0, 1.0, 0.5, 1.0, 1.0, 0.1, 0.5, 0.0, 2.0, &\n 1.0, 0.1, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, &\n 0.0, 0.0, 0.0, 0.7, 0.6, 0.5 /)\n\n REAL, PARAMETER :: lainlcd50 ( 50 ) = &\n (/ 0.0, 0.1, 3.0, 3.0, 3.0, 3.0, 1.0, 0.5, 5.0, &\n 4.0, 5.0, 2.0, 2.5, 2.5, 2.0, 1.0, 1.0, 1.0, &\n 3.0, 3.0, 5.0, 5.0, 3.0, 5.0, 3.0, 2.0, 2.0, &\n 2.0, 1.0, 1.0, 0.0, 4.0, 5.0, 5.0, 5.0, 5.0, &\n 3.0, 2.5, 2.5, 2.0, 2.5, 3.0, 3.0, 3.0, 3.0, &\n 0.1, 1.0, 0.0, 0.0, 0.0 /)\n\n REAL, PARAMETER :: laimnnlcd50 ( 50 ) = &\n (/ 0.0, 0.1, 1.0, 1.0, 1.0, 1.0, 0.5, 0.2, 1.0, &\n 3.0, 2.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, &\n 1.0, 0.5, 2.0, 2.0, 1.0, 2.0, 1.0, 1.0, 1.0, &\n 1.0, 0.5, 0.5, 0.0, 3.0, 4.0, 1.0, 1.0, 2.0, &\n 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 0.5, 1.0, 1.0, &\n 0.1, 0.5, 0.0, 0.0, 0.0 /)\n\n REAL, PARAMETER :: lainlcd40 ( 40 ) = &\n (/ 4.0, 5.0, 5.0, 5.0, 5.0, 3.0, 2.5, 2.5, 2.0, &\n 2.5, 3.0, 3.0, 3.0, 3.0, 0.1, 1.0, 0.0, 0.0, &\n 0.0, 0.0, 0.0, 0.1, 3.0, 3.0, 3.0, 3.0, 1.0, &\n 5.0, 4.0, 5.0, 2.0, 2.5, 2.5, 2.0, 1.0, 1.0, &\n 3.0, 3.0, 5.0, 2.0 /)\n\n REAL, PARAMETER :: laimnnlcd40 ( 40 ) = &\n (/ 3.0, 4.0, 1.0, 1.0, 2.0, 1.0, 1.0, 1.0, 1.0, &\n 1.0, 1.0, 0.5, 1.0, 1.0, 0.1, 0.5, 0.0, 0.0, &\n 0.0, 0.0, 0.0, 0.1, 1.0, 1.0, 1.0, 1.0, 0.5, &\n 1.0, 3.0, 2.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, &\n 1.0, 0.5, 2.0, 1.0 /)\n\n REAL, PARAMETER :: laimm5 ( 13 ) = &\n (/ 2.0, 3.0, 3.0, 5.0, 4.5, 5.0, 0.0, 2.0, 0.5, &\n 1.0, 0.0, 5.0, 2.0 /)\n\n REAL, PARAMETER :: laiusgs ( 33 ) = &\n (/ 2.0, 3.0, 3.0, 3.0, 2.5, 4.0, 2.5, 3.0, 3.0, &\n 2.0, 5.0, 5.0, 5.0, 4.0, 5.0, 0.0, 2.0, 5.0, &\n 0.5, 1.0, 1.0, 1.0, 0.1, 0.1, 0.1, 0.1, 0.1, &\n 0.0, 0.0, 0.0, 2.2, 2.1, 2.0 /)\n\n REAL, PARAMETER :: laimnusgs ( 33 ) = &\n (/ 0.5, 0.5, 0.5, 0.5, 1.0, 1.5, 1.0, 1.0, 1.0, &\n 1.0, 1.0, 1.0, 4.0, 3.0, 2.0, 0.0, 1.0, 3.0, &\n 0.2, 0.5, 0.5, 0.5, 0.1, 0.1, 0.1, 0.1, 0.1, &\n 0.0, 0.0, 0.0, 0.7, 0.6, 0.5 /)\n\n REAL, PARAMETER :: vegmod ( 33 ) = &\n (/ 0.90, 0.95, 0.95, 0.95, 0.95, 0.90, 0.75, 0.80, 0.70, &\n 0.85, 0.75, 0.95, 0.40, 0.95, 0.05, 0.20, 0.00, 0.70, &\n 0.40, 0.20, 0.00, 0.00, 0.00, 0.00, 0.00, 0.00, 0.00, &\n 0.00, 0.00, 0.00, 0.50, 0.45, 0.40 /)\n\n REAL, PARAMETER :: vegmnmod ( 33 ) = &\n (/ 0.80, 0.85, 0.50, 0.50, 0.60, 0.50, 0.50, 0.60, 0.50, &\n 0.60, 0.45, 0.10, 0.20, 0.40, 0.02, 0.05, 0.00, 0.50, &\n 0.20, 0.05, 0.00, 0.00, 0.00, 0.00, 0.00, 0.00, 0.00, &\n 0.00, 0.00, 0.00, 0.30, 0.25, 0.20 /)\n\n REAL, PARAMETER :: vegnlcd50 ( 50 ) = &\n (/ 0.00, 0.05, 0.90, 0.70, 0.40, 0.15, 0.20, 0.15, 0.95, &\n 0.90, 0.95, 0.50, 0.75, 0.85, 0.80, 0.80, 0.80, 0.50, &\n 0.95, 0.95, 0.90, 0.90, 0.90, 0.90, 0.90, 0.60, 0.80, &\n 0.80, 0.60, 0.60, 0.00, 0.90, 0.95, 0.95, 0.95, 0.95, &\n 0.90, 0.75, 0.80, 0.70, 0.85, 0.75, 0.95, 0.40, 0.95, &\n 0.05, 0.20, 0.00, 0.00, 0.00 /)\n\n REAL, PARAMETER :: vegmnnlcd50 ( 50 ) = &\n (/ 0.00, 0.02, 0.80, 0.60, 0.30, 0.05, 0.05, 0.05, 0.50, &\n 0.80, 0.60, 0.20, 0.50, 0.60, 0.20, 0.20, 0.20, 0.20, &\n 0.80, 0.10, 0.80, 0.80, 0.80, 0.80, 0.80, 0.40, 0.40, &\n 0.40, 0.20, 0.20, 0.00, 0.80, 0.85, 0.50, 0.50, 0.60, &\n 0.50, 0.50, 0.60, 0.50, 0.60, 0.45, 0.10, 0.20, 0.40, &\n 0.02, 0.05, 0.00, 0.00, 0.00 /)\n\n REAL, PARAMETER :: vegnlcd40 ( 40 ) = &\n (/ 0.90, 0.95, 0.95, 0.95, 0.95, 0.90, 0.75, 0.80, 0.70, &\n 0.85, 0.75, 0.95, 0.40, 0.95, 0.05, 0.20, 0.00, 0.00, &\n 0.00, 0.00, 0.00, 0.05, 0.90, 0.70, 0.40, 0.15, 0.20, &\n 0.95, 0.90, 0.95, 0.50, 0.75, 0.85, 0.80, 0.80, 0.80, &\n 0.95, 0.95, 0.90, 0.60 /)\n\n REAL, PARAMETER :: vegmnnlcd40 ( 40 ) = &\n (/ 0.80, 0.85, 0.50, 0.50, 0.60, 0.50, 0.50, 0.60, 0.50, &\n 0.60, 0.45, 0.10, 0.20, 0.40, 0.02, 0.05, 0.00, 0.00, &\n 0.00, 0.00, 0.00, 0.02, 0.80, 0.60, 0.30, 0.05, 0.05, &\n 0.50, 0.80, 0.60, 0.20, 0.50, 0.60, 0.20, 0.20, 0.20, &\n 0.80, 0.10, 0.80, 0.40 /)\n\n REAL, PARAMETER :: vegmm5 ( 13 ) = &\n (/ 0.40, 0.95, 0.95, 0.95, 0.95, 0.95, 0.00, 0.75, 0.10, &\n 0.20, 0.00, 0.90, 0.80 /)\n\n REAL, PARAMETER :: vegusgs ( 33 ) = &\n (/ 0.40, 0.95, 0.95, 0.95, 0.95, 0.95, 0.95, 0.70, 0.85, &\n 0.80, 0.95, 0.95, 0.95, 0.90, 0.95, 0.00, 0.60, 0.90, &\n 0.10, 0.20, 0.30, 0.20, 0.05, 0.05, 0.02, 0.02, 0.02, &\n 0.00, 0.00, 0.00, 0.50, 0.45, 0.40 /)\n\n REAL, PARAMETER :: vegmnusgs ( 33 ) = &\n (/ 0.20, 0.15, 0.10, 0.15, 0.35, 0.40, 0.70, 0.50, 0.60, &\n 0.60, 0.50, 0.50, 0.85, 0.80, 0.60, 0.00, 0.40, 0.80, &\n 0.05, 0.10, 0.10, 0.05, 0.02, 0.02, 0.01, 0.01, 0.01, &\n 0.00, 0.00, 0.00, 0.30, 0.25, 0.20 /)\n\n!-------------------------------------------------------------------------------\n! Error, warning, and informational messages.\n!-------------------------------------------------------------------------------\n\n CHARACTER(LEN=256), PARAMETER :: f9000 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** UNKNOWN LAND USE INPUT DATA SOURCE', &\n & /, 1x, '*** DATA SOURCE IS ', a, &\n & /, 1x, 70('*'))\"\n\n!-------------------------------------------------------------------------------\n! Put time-variant cross-point arrays on MCIP_X grid.\n!-------------------------------------------------------------------------------\n\n sc = x0\n ec = x0 + ncols_x - 1\n sr = y0\n er = y0 + nrows_x - 1\n\n xtempg (:,:) = groundt (sc:ec,sr:er)\n IF ( met_model == 2 .AND. met_cumulus == 0 ) THEN ! no cumulus scheme\n xrainc (:,:) = fillreal ! fill with negative values as flag for CMAQv5.0\n ELSE\n xrainc (:,:) = raincon (sc:ec,sr:er) ! rain is already incremental here\n ENDIF\n xrainn (:,:) = rainnon (sc:ec,sr:er) ! rain is already incremental here\n xpbl (:,:) = zpbl (sc:ec,sr:er)\n xhfx (:,:) = hfx (sc:ec,sr:er)\n xlh (:,:) = lh (sc:ec,sr:er)\n xustar (:,:) = ust (sc:ec,sr:er)\n xrgrnd (:,:) = rgrnd (sc:ec,sr:er)\n xglw (:,:) = glw (sc:ec,sr:er)\n xzruf (:,:) = znt (sc:ec,sr:er)\n xalbedo(:,:) = albedo (sc:ec,sr:er)\n xsnocov(:,:) = snowcovr(sc:ec,sr:er)\n xsnowh (:,:) = snowh (sc:ec,sr:er)\n\n xgsw (:,:) = xrgrnd(:,:) * ( 1.0 - xalbedo(:,:) )\n\n IF ( ift2m ) THEN\n xtemp2(:,:) = t2 (sc:ec,sr:er)\n ELSE\n! ~ Calculate in PBLSUP.\n ENDIF\n\n IF ( ifq2m ) THEN\n xq2 (:,:) = q2 (sc:ec,sr:er)\n ELSE\n xq2 (:,:) = qva (sc:ec,sr:er,1) ! fill Q2 with QV from layer 1\n ENDIF\n\n IF ( ifw10m ) THEN\n xu10 (:,:) = u10 (sc:ec,sr:er)\n xv10 (:,:) = v10 (sc:ec,sr:er)\n ELSE\n! ~ Calculate in PBLSUP.\n ENDIF\n\n IF ( ifmolpx ) THEN\n xqfx(:,:) = qfx(sc:ec,sr:er)\n ENDIF\n\n IF ( iflai .AND. ifpxwrf41 ) THEN\n xlai(:,:) = lai_px(sc:ec,sr:er)\n ELSE IF ( iflai .AND. ( MAXVAL(lai) > smallnum ) ) THEN\n xlai(:,:) = lai(sc:ec,sr:er)\n ELSE\n\n IF ( ( met_model == 2 ) .AND. ( met_soil_lsm == 2 ) ) THEN\n xlai(:,:) = 4.0\n ELSE\n\n DO c = 1, ncols_x\n ii = x0 + c - 1\n DO r = 1, nrows_x\n jj = y0 + r - 1\n\n ilu = landuse(ii,jj)\n\n IF ( met_lu_src(1:3) == \"USG\" ) THEN ! USGS 24- or 33-cat. l.u.\n IF ( met_season == 1 ) THEN ! summer\n xlai (c,r) = laiusgs(ilu)\n ELSE IF ( met_season == 2 ) THEN ! winter\n xlai (c,r) = laimnusgs(ilu)\n ENDIF\n ELSE IF ( met_lu_src(1:3) == \"OLD\" ) THEN ! MM5 13-category old l.u.\n xlai (c,r) = laimm5(ilu)\n ELSE IF ( met_lu_src(4:6) == \"D50\" ) THEN ! NLCD-MODIS 50-cat. l.u.\n IF ( met_season == 1 ) THEN ! summer\n xlai (c,r) = lainlcd50(ilu)\n ELSE IF ( met_season == 2 ) THEN ! winter\n xlai (c,r) = laimnnlcd50(ilu)\n ENDIF\n ELSE IF ( met_lu_src(4:6) == \"D40\" ) THEN ! NLCD-MODIS 40-cat. l.u.\n IF ( met_season == 1 ) THEN ! summer\n xlai (c,r) = lainlcd40(ilu)\n ELSE IF ( met_season == 2 ) THEN ! winter\n xlai (c,r) = laimnnlcd40(ilu)\n ENDIF\n ELSE IF ( met_lu_src(1:3) == \"MOD\" ) THEN ! MODIS-NOAH 20/33-cat.\n IF ( met_season == 1 ) THEN ! summer\n xlai (c,r) = laimod(ilu)\n ELSE IF ( met_season == 2 ) THEN ! winter\n xlai (c,r) = laimnmod(ilu)\n ENDIF\n ELSE\n WRITE (*,f9000) TRIM(pname), TRIM(met_lu_src)\n CALL graceful_stop (pname)\n ENDIF\n\n ENDDO\n ENDDO\n ENDIF\n\n ENDIF ! iflai\n\n IF ( ifveg ) THEN\n xveg (:,:) = veg (sc:ec,sr:er)\n ELSE\n DO c = 1, ncols_x\n ii = x0 + c - 1\n DO r = 1, nrows_x\n jj = y0 + r - 1\n\n ilu = landuse(ii,jj)\n\n IF ( met_lu_src(1:3) == \"USG\" ) THEN ! USGS 24- or 33-cat. l.u.\n IF ( met_season == 1 ) THEN ! summer\n xveg (c,r) = vegusgs(ilu)\n ELSE IF ( met_season == 2 ) THEN ! winter\n xveg (c,r) = vegmnusgs(ilu)\n ENDIF\n ELSE IF ( met_lu_src(1:3) == \"OLD\" ) THEN ! MM5 13-category old l.u.\n xveg (c,r) = vegmm5(ilu)\n ELSE IF ( met_lu_src(4:6) == \"D50\" ) THEN ! NLCD-MODIS 50-cat. l.u.\n xveg (c,r) = vegnlcd50(ilu)\n ELSE IF ( met_lu_src(4:6) == \"D40\" ) THEN ! NLCD-MODIS 40-cat. l.u.\n xveg (c,r) = vegnlcd40(ilu)\n ELSE IF ( met_lu_src(1:3) == \"MOD\" ) THEN ! MODIS-NOAH 20/33-cat.\n xveg (c,r) = vegmod(ilu)\n ELSE\n WRITE (*,f9000) TRIM(pname), TRIM(met_lu_src)\n CALL graceful_stop (pname)\n ENDIF\n\n ENDDO\n ENDDO\n ENDIF\n\n IF ( ifresist ) THEN\n\n xradyn (:,:) = ra (sc:ec,sr:er)\n xrstom (:,:) = rstom (sc:ec,sr:er)\n\n ! At water points, stomatal resistance is 0.0. Since\n ! inverse of XRSTOM is output in ctmproc.f90, need to avoid\n ! division by 0.0. Use netCDF token as place-holder.\n\n WHERE ( xrstom == 0.0 ) xrstom = fillreal\n\n ELSE\n! ~ Calculate in RESISTCALC.\n ENDIF\n\n IF ( ifmol ) THEN\n xmol (:,:) = mol (sc:ec,sr:er)\n ELSE\n! ~ Calculate in PBLSUP.\n ENDIF\n\n IF ( ifwr ) THEN\n xwr (:,:) = wr (sc:ec,sr:er)\n IF ( met_model == 2 ) THEN ! WRF: divide by water density\n xwr(:,:) = xwr(:,:) * 0.001 ! kg/m2 -> m\n ENDIF\n ELSE\n! ~ Approximate in M3DRY and do not output.\n ENDIF\n\n IF ( .NOT. needseaice ) THEN\n xseaice(:,:) = seaice(sc:ec,sr:er)\n ELSE\n DO c = 1, ncols_x\n DO r = 1, nrows_x\n IF ( ( NINT(xlwmask(c,r)) == 0 ) .AND. &\n ( xtempg(c,r) <= icethresh ) ) THEN ! very cold water\n xseaice(c,r) = 1.0 ! ice\n ELSE\n xseaice(c,r) = 0.0 ! not ice\n ENDIF\n ENDDO\n ENDDO\n ENDIF\n\n IF ( ifsoil ) THEN\n xw2a (:,:) = w2 (sc:ec,sr:er)\n xwga (:,:) = wg (sc:ec,sr:er)\n xsltyp (:,:) = FLOAT( isltyp(sc:ec,sr:er) )\n xtga (:,:) = soilt1(sc:ec,sr:er)\n xt2a (:,:) = soilt2(sc:ec,sr:er)\n xsoim3d(:,:,:) = soim3d(sc:ec,sr:er,:)\n xsoit3d(:,:,:) = soit3d(sc:ec,sr:er,:)\n ELSE\n! ~ Downstream options that request these fields cannot be invoked\n! ~ as they will not be in the output.\n ENDIF\n\n IF ( ifmosaic ) THEN\n xlai_mos(:,:,:) = lai_mos(sc:ec,sr:er,:)\n xrs_mos (:,:,:) = rs_mos(sc:ec,sr:er,:)\n xtsk_mos(:,:,:) = tsk_mos(sc:ec,sr:er,:)\n xznt_mos(:,:,:) = znt_mos(sc:ec,sr:er,:)\n xwspdsfc(:,:) = wspdsfc(sc:ec,sr:er)\n xxlaidyn(:,:) = xlaidyn(sc:ec,sr:er)\n ENDIF\n\n IF ( ifpxwrf41 ) THEN\n xwwlt_px(:,:) = wwlt_px (sc:ec,sr:er)\n xwfc_px(:,:) = wfc_px (sc:ec,sr:er)\n xwsat_px(:,:) = wsat_px (sc:ec,sr:er)\n xcsand_px(:,:) = csand_px (sc:ec,sr:er)\n xfmsand_px(:,:) = fmsand_px(sc:ec,sr:er)\n xclay_px(:,:) = clay_px (sc:ec,sr:er)\n ENDIF\n\n IF ( lpv > 0 ) THEN\n xcorl (:,:) = coriolis(sc:ec,sr:er)\n ENDIF\n\n xtempm (:,:,:) = ta (sc:ec,sr:er,:)\n xwvapor(:,:,:) = qva(sc:ec,sr:er,:)\n xcldwtr(:,:,:) = qca(sc:ec,sr:er,:)\n xranwtr(:,:,:) = qra(sc:ec,sr:er,:)\n xqice (:,:,:) = qia(sc:ec,sr:er,:)\n xqsnow (:,:,:) = qsa(sc:ec,sr:er,:)\n xqgraup(:,:,:) = qga(sc:ec,sr:er,:)\n\n IF ( ifkfradextras ) THEN\n xqc_cu (:,:,:) = qc_cu (sc:ec,sr:er,:)\n xqi_cu (:,:,:) = qi_cu (sc:ec,sr:er,:)\n xcldfrad(:,:,:) = cldfra_dp(sc:ec,sr:er,:)\n xcldfras(:,:,:) = cldfra_sh(sc:ec,sr:er,:)\n ENDIF\n\n xwwind (:,:,0:) = wa(sc:ec,sr:er,1:)\n\n IF ( ( iftke ) .AND. ( .NOT. iftkef ) ) THEN ! TKE on half-layers\n xtke (:,:, :) = tke(sc:ec,sr:er, :)\n ELSE IF ( ( iftke ) .AND. ( iftkef ) ) THEN ! TKE on full-levels\n xtke (:,:,0:) = tke(sc:ec,sr:er,1:)\n ENDIF\n\n ! Ensure that very small (and sometimes negative!) values from WRF moisture\n ! fields are not used. Here, EPSILONQ is the same minimum value as is set\n ! in ctmproc.f90. Floor value for XWVAPOR (EPSILONQV) is based on MM5 value.\n\n WHERE ( xwvapor < epsilonqv ) xwvapor = epsilonqv\n WHERE ( xcldwtr < epsilonq ) xcldwtr = 0.0\n WHERE ( xranwtr < epsilonq ) xranwtr = 0.0\n WHERE ( xqice < epsilonq ) xqice = 0.0\n WHERE ( xqsnow < epsilonq ) xqsnow = 0.0\n WHERE ( xqgraup < epsilonq ) xqgraup = 0.0\n\n IF ( ifkfradextras ) THEN\n WHERE ( xqc_cu < epsilonq ) xqc_cu = 0.0\n WHERE ( xqi_cu < epsilonq ) xqi_cu = 0.0\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Put time-variant dot-point arrays on MCIP_X grid. XUU_D and XVV_D are on\n! B-grid (dot points). XUU_S and XVV_T are on C-grid (face points).\n!-------------------------------------------------------------------------------\n\n sc = x0\n ec = x0 + ncols_x\n sr = y0\n er = y0 + nrows_x\n\n IF ( met_model == 2 ) THEN ! WRF: UA and VA on C-grid (face points)\n\n xuu_d(:,1, :) = ua(sc:ec,sr,:)\n xuu_d(:,2:nrows_x,:) = 0.5 * (ua(sc:ec,sr:er-2,:) + ua(sc:ec,sr+1:er-1,:))\n xuu_d(:,nrows_x+1,:) = ua(sc:ec,er-1,:)\n xvv_d(1, :,:) = va(sc,sr:er,:)\n xvv_d(2:ncols_x,:,:) = 0.5 * (va(sc:ec-2,sr:er,:) + va(sc+1:ec-1,sr:er,:))\n xvv_d(ncols_x+1,:,:) = va(ec-1,sr:er,:)\n\n xuu_s(:,:,:) = ua(sc:ec,sr:er,:)\n xvv_t(:,:,:) = va(sc:ec,sr:er,:)\n\n ENDIF\n\n!------------------------------------------------------------------------------\n! Compute pressure and potential temperature (if necessary). Put cloud\n! fraction on transfer grid, if available.\n!------------------------------------------------------------------------------\n\n sc = x0\n ec = x0 + ncols_x - 1\n sr = y0\n er = y0 + nrows_x - 1\n\n IF ( met_model == 2 ) THEN ! WRF\n\n xpresm(:,:,:) = pb (sc:ec,sr:er,:) + pp(sc:ec,sr:er,:)\n xmu (:,:) = mub(sc:ec,sr:er) + mu(sc:ec,sr:er)\n xgeof (:,:,:) = phb(sc:ec,sr:er,:) + ph(sc:ec,sr:er,:)\n\n ! As of WRFv2.0.3.1, PSFC = 0.0 at WRF initial time.\n\n IF ( MINVAL(psa) > 0.0 ) THEN\n xprsfc(:,:) = psa(sc:ec,sr:er) ! PSA contains PSFC for WRF\n ELSE\n DO c = 1, ncols_x\n DO r = 1, nrows_x\n z0 = xgeof(c,r,0) ! Z0, Z1, Z2 really defined as Zx/grav\n z1 = 0.5 * ( xgeof(c,r,0) + xgeof(c,r,1) )\n z2 = 0.5 * ( xgeof(c,r,1) + xgeof(c,r,2) )\n wgt1 = (z2 - z0) / (z2 - z1)\n wgt2 = 1.0 - wgt1\n xprsfc(c,r) = wgt1 * xpresm(c,r,1) + wgt2 * xpresm(c,r,2)\n ENDDO\n ENDDO\n ENDIF\n\n xpresf(:,:,0) = xprsfc(:,:)\n\n ! Calculate full-level pressure from geopotential and hydrostatic equation.\n ! Assume temperature at mid-layers is sufficient \"average\" between full\n ! levels.\n\n DO k = 1, metlay\n xpresf(:,:,k) = xpresf(:,:,k-1) * &\n EXP( (xgeof(:,:,k-1) - xgeof(:,:,k)) / &\n (rdwrf * xtempm(:,:,k)) )\n ENDDO\n\n IF ( lpv > 0 .OR. ifmolpx ) THEN ! need theta\n xtheta(:,:,:) = theta(sc:ec,sr:er,:)\n ENDIF\n\n IF ( ifcld3d ) THEN ! passing through 3D cloud fraction\n xcfrac3d(:,:,:) = cldfra(sc:ec,sr:er,:)\n ENDIF\n\n ENDIF\n\n!------------------------------------------------------------------------------\n! Compute density.\n! IF using WRF output and if canopy wetness is in the output, convert from\n! kg m^-2 to m by dividing by density.\n!------------------------------------------------------------------------------\n\n IF ( met_model == 2 ) THEN ! WRF\n\n DO k = 1, metlay\n kp1 = MIN(k+1,metlay)\n\n DO c = 1, ncols_x\n DO r = 1, nrows_x\n\n ! Use formula for \"alt\" (total inverse density, alpha) from WRF's\n ! module_initialize_real.F, and replace potential temperature with\n ! temperature using Poisson's equation. Density is 1./alt. Note\n ! that this computed density matches well (to 6 or so decimal places)\n ! with WRF's prognostic density, expressed as 1./(alb+al); alb and al\n ! are not in the default WRF Registry as output to the history file\n ! (as of v2.0.3.1). It only matches to 3 decimal places with 1./alt\n ! when alt is output in the WRF history file.\n\n xdensam(c,r,k) = ( xpresm(c,r,k) / ( rdwrf * xtempm(c,r,k) * &\n (1.0 + rvwrf*xwvapor(c,r,k)/rdwrf) ) )\n\n tf = 0.5 * (xtempm (c,r,k) + xtempm (c,r,kp1))\n qf = 0.5 * (xwvapor(c,r,k) + xwvapor(c,r,kp1))\n\n xdensaf(c,r,k) = ( xpresf(c,r,k) / ( rdwrf * tf * &\n (1.0 + rvwrf*qf/rdwrf) ) )\n\n ENDDO\n ENDDO\n ENDDO\n\n IF ( ( ift2m ) .AND. ( MAXVAL(xtemp2) > smallnum ) ) THEN ! T2 = 0 at init\n xdensaf(:,:,0) = ( xpresf(:,:,0) / ( rdwrf * xtemp2(:,:) * &\n (1.0 + rvwrf*xwvapor(:,:,1)/rdwrf) ) )\n ELSE\n xdensaf(:,:,0) = ( xpresf(:,:,0) / ( rdwrf * xtempm(:,:,1) * &\n (1.0 + rvwrf*xwvapor(:,:,1)/rdwrf) ) )\n ENDIF\n xdenss(:,:) = xdensaf(:,:,0)\n\n ENDIF\n\n xdenswm(:,:,:) = xdensam(:,:,:) * xwvapor(:,:,:) / ( 1.0 + xwvapor(:,:,:) )\n\n!-------------------------------------------------------------------------------\n! If input meteorology has a time-varying vertical coordinate, compute Jacobian\n! and layer heights.\n!-------------------------------------------------------------------------------\n\n IF ( met_model == 2 ) THEN\n\n IF ( met_hybrid >= 0 ) THEN\n DO k = 0, metlay\n ! Adjust mu (a.k.a., ps - ptop) for hybrid coordinate.\n ! Calculate Jacobian from WRF relation:\n ! J*g = - d(phi)/d(eta) = - d(g z)/d(eta) = mu alpha = mu/rho\n xmuhyb(:,:) = c1f(k+1) * xmu(:,:) + c2f(k+1)\n x3jacobf(:,:,k) = giwrf * xmuhyb(:,:) / xdensaf(:,:,k)\n IF ( k == 0 ) CYCLE\n xmuhyb(:,:) = c1h(k) * xmu(:,:) + c2h(k)\n x3jacobm(:,:,k) = giwrf * xmuhyb(:,:) / xdensam(:,:,k)\n ENDDO\n ELSE\n DO k = 0, metlay\n ! Calculate Jacobian from WRF relation:\n ! J*g = - d(phi)/d(eta) = - d(g z)/d(eta) = mu alpha = mu/rho\n x3jacobf(:,:,k) = giwrf * xmu(:,:) / xdensaf(:,:,k)\n IF ( k == 0 ) CYCLE\n x3jacobm(:,:,k) = giwrf * xmu(:,:) / xdensam(:,:,k)\n ENDDO\n ENDIF\n\n CALL layht (xx3face, xx3midl, x3jacobf, x3jacobm, x3htf, x3htm)\n\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Calculate height differences.\n!-------------------------------------------------------------------------------\n\n DO k = 1, metlay\n xdx3htf(:,:,k) = x3htf(:,:,k) - x3htf(:,:,k-1) ! X3HTF starts at 0 in vert\n ENDDO\n\n!-------------------------------------------------------------------------------\n! Calculate contravariant velocity (w-component).\n!-------------------------------------------------------------------------------\n\n IF ( met_model == 2 ) THEN ! WRF-ARW\n CALL vertnhy_wrf\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Calculate depths of soil layers.\n!-------------------------------------------------------------------------------\n\n IF ( met_model == 2 ) THEN ! WRF-ARW\n IF ( met_ns > 0 ) THEN\n DO k = 1, met_ns\n xzsoil(k) = 0.0 - (SUM(dzs(1:k))) ! m\n ENDDO\n ENDIF\n ENDIF\n\nEND SUBROUTINE metvars2ctm\n" }, { "path": "PREP/mcip/src/metvars_mod.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nMODULE metvars\n\n!-------------------------------------------------------------------------------\n! Name: Meteorology Variables\n! Purpose: Contains input meteorology arrays.\n! Revised: 19 Sep 2001 Original version. (T. Otte)\n! 29 May 2003 Added SNOWCOVR. (D. Schwede)\n! 09 Aug 2004 Added QGA, VEGOLD, and T2. (D. Schwede and T. Otte)\n! 29 Nov 2004 Added LUFRAC. (T. Otte)\n! 04 Apr 2005 Removed unused variables REGIME and MAVAIL. Added PH,\n! PHB, PB, MU, and MUB for WRF. Added U10 and V10.\n! (T. Otte and S.-B. Kim)\n! 11 Aug 2005 Removed unused variable FSOIL. (T. Otte)\n! 26 Jul 2007 Added IMPLICIT NONE. Removed internal variables for\n! emissivity and net radiation. (T. Otte)\n! 05 May 2008 Added 2-m mixing ratio (Q2) and turbulent kinetic\n! energy (TKE) arrays. Added urban fraction (FRC_URB)\n! and urban roughness length (Z0C_URB2D) for\n! MET_UCMCALL=1. (T. Otte)\n! 29 Sep 2009 Added THETA and CORIOLIS for when potential vorticity\n! is needed. Added LATU, LONU, MAPU, LATV, LONV, and\n! MAPV. Removed Z0C_URB2D. (T. Otte)\n! 15 Dec 2010 Added sea ice. Added tipping buckets for convective\n! and non-convective precipitation. (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n! 11 Sep 2012 Added LANDMASK to be read from WRF. (T. Otte)\n! 10 Apr 2015 Added new array CLDFRA to pass 3D resolved cloud\n! fraction to output. (T. Spero)\n! 21 Aug 2015 Changed latent heat flux from QFX to LH. Added\n! moisture flux (QFX) for IFMOLACM. (T. Spero)\n! 16 Mar 2018 Added SNOWH to output. Added C1H, C2H, C1F, and C2F to\n! support hybrid vertical coordinate in WRF. Added\n! LUFRAC2, MOSCATIDX, LAI_MOS, RA_MOS, RS_MOS, TSK_MOS,\n! and ZNT_MOS to support NOAH Mosaic land-surface model.\n! Added DZS to capture soil layers, and added 3D soil\n! arrays, SOIT3D and SOIM3D. Added WSPDSFC and XLAIDYN\n! for Noah. (T. Spero)\n! 14 Sep 2018 Removed support for MM5v3 input. (T. Spero)\n! 18 Jun 2019 Added new surface variables with PX LSM that can\n! improve dust simulation in CCTM. Added optional\n! variables from KF convective scheme with radiative\n! feedbacks. (T. Spero)\n!-------------------------------------------------------------------------------\n\n IMPLICIT NONE\n\n REAL, ALLOCATABLE :: albedo ( : , : )\n REAL, ALLOCATABLE :: c1f ( : )\n REAL, ALLOCATABLE :: c1h ( : )\n REAL, ALLOCATABLE :: c2f ( : )\n REAL, ALLOCATABLE :: c2h ( : )\n REAL, ALLOCATABLE :: clay_px ( : , : )\n REAL, ALLOCATABLE :: cldfra ( : , : , : )\n REAL, ALLOCATABLE :: cldfra_dp ( : , : , : )\n REAL, ALLOCATABLE :: cldfra_sh ( : , : , : )\n REAL, ALLOCATABLE :: coriolis ( : , : )\n REAL, ALLOCATABLE :: csand_px ( : , : )\n REAL, ALLOCATABLE :: dzs ( : )\n REAL, ALLOCATABLE :: fmsand_px ( : , : )\n REAL, ALLOCATABLE :: frc_urb ( : , : )\n REAL, ALLOCATABLE :: glw ( : , : )\n REAL, ALLOCATABLE :: groundt ( : , : )\n REAL, ALLOCATABLE :: hfx ( : , : )\n INTEGER, ALLOCATABLE :: i_rainc ( : , : )\n INTEGER, ALLOCATABLE :: i_rainnc ( : , : )\n INTEGER, ALLOCATABLE :: ircold ( : , : )\n INTEGER, ALLOCATABLE :: irnold ( : , : )\n INTEGER, ALLOCATABLE :: isltyp ( : , : )\n REAL, ALLOCATABLE :: lai ( : , : )\n REAL, ALLOCATABLE :: lai_mos ( : , : , : )\n REAL, ALLOCATABLE :: lai_px ( : , : )\n REAL, ALLOCATABLE :: landmask ( : , : )\n INTEGER, ALLOCATABLE :: landuse ( : , : )\n REAL, ALLOCATABLE :: latcrs ( : , : )\n REAL, ALLOCATABLE :: latdot ( : , : )\n REAL, ALLOCATABLE :: latu ( : , : )\n REAL, ALLOCATABLE :: latv ( : , : )\n REAL, ALLOCATABLE :: lh ( : , : )\n REAL, ALLOCATABLE :: loncrs ( : , : )\n REAL, ALLOCATABLE :: londot ( : , : )\n REAL, ALLOCATABLE :: lonu ( : , : )\n REAL, ALLOCATABLE :: lonv ( : , : )\n REAL, ALLOCATABLE :: lufrac ( : , : , : )\n REAL, ALLOCATABLE :: lufrac2 ( : , : , : )\n REAL, ALLOCATABLE :: mapcrs ( : , : )\n REAL, ALLOCATABLE :: mapdot ( : , : )\n REAL, ALLOCATABLE :: mapu ( : , : )\n REAL, ALLOCATABLE :: mapv ( : , : )\n REAL, ALLOCATABLE :: mol ( : , : )\n INTEGER, ALLOCATABLE :: moscatidx ( : , : , : )\n REAL, ALLOCATABLE :: mu ( : , : )\n REAL, ALLOCATABLE :: mub ( : , : )\n REAL, ALLOCATABLE :: pb ( : , : , : )\n REAL, ALLOCATABLE :: ph ( : , : , : )\n REAL, ALLOCATABLE :: phb ( : , : , : )\n REAL, ALLOCATABLE :: pp ( : , : , : )\n REAL, ALLOCATABLE :: psa ( : , : )\n REAL, ALLOCATABLE :: q2 ( : , : )\n REAL, ALLOCATABLE :: qca ( : , : , : )\n REAL, ALLOCATABLE :: qc_cu ( : , : , : )\n REAL, ALLOCATABLE :: qfx ( : , : )\n REAL, ALLOCATABLE :: qga ( : , : , : )\n REAL, ALLOCATABLE :: qia ( : , : , : )\n REAL, ALLOCATABLE :: qi_cu ( : , : , : )\n REAL, ALLOCATABLE :: qra ( : , : , : )\n REAL, ALLOCATABLE :: qsa ( : , : , : )\n REAL, ALLOCATABLE :: qva ( : , : , : )\n REAL, ALLOCATABLE :: ra ( : , : )\n REAL, ALLOCATABLE :: ra_mos ( : , : , : )\n REAL, ALLOCATABLE :: raincon ( : , : )\n REAL, ALLOCATABLE :: rainnon ( : , : )\n REAL, ALLOCATABLE :: rcold ( : , : )\n REAL, ALLOCATABLE :: rgrnd ( : , : )\n REAL, ALLOCATABLE :: rnold ( : , : )\n REAL, ALLOCATABLE :: rs_mos ( : , : , : )\n REAL, ALLOCATABLE :: rstom ( : , : )\n REAL, ALLOCATABLE :: seaice ( : , : )\n REAL, ALLOCATABLE :: sigmaf ( : )\n REAL, ALLOCATABLE :: sigmah ( : )\n REAL, ALLOCATABLE :: snowcovr ( : , : )\n REAL, ALLOCATABLE :: snowh ( : , : )\n REAL, ALLOCATABLE :: soilt1 ( : , : )\n REAL, ALLOCATABLE :: soilt2 ( : , : )\n REAL, ALLOCATABLE :: soim3d ( : , : , : )\n REAL, ALLOCATABLE :: soit3d ( : , : , : )\n REAL, ALLOCATABLE :: t2 ( : , : )\n REAL, ALLOCATABLE :: ta ( : , : , : )\n REAL, ALLOCATABLE :: terrain ( : , : )\n REAL, ALLOCATABLE :: theta ( : , : , : )\n REAL, ALLOCATABLE :: tke ( : , : , : )\n REAL, ALLOCATABLE :: tsk_mos ( : , : , : )\n REAL, ALLOCATABLE :: u10 ( : , : )\n REAL, ALLOCATABLE :: ua ( : , : , : )\n REAL, ALLOCATABLE :: ust ( : , : )\n REAL, ALLOCATABLE :: v10 ( : , : )\n REAL, ALLOCATABLE :: va ( : , : , : )\n REAL, ALLOCATABLE :: veg ( : , : )\n REAL, ALLOCATABLE :: w2 ( : , : )\n REAL, ALLOCATABLE :: wa ( : , : , : )\n REAL, ALLOCATABLE :: wfc_px ( : , : )\n REAL, ALLOCATABLE :: wg ( : , : )\n REAL, ALLOCATABLE :: wr ( : , : )\n REAL, ALLOCATABLE :: wsat_px ( : , : )\n REAL, ALLOCATABLE :: wspdsfc ( : , : )\n REAL, ALLOCATABLE :: wwlt_px ( : , : )\n REAL, ALLOCATABLE :: xlaidyn ( : , : )\n REAL, ALLOCATABLE :: znt ( : , : )\n REAL, ALLOCATABLE :: znt_mos ( : , : , : )\n REAL, ALLOCATABLE :: zpbl ( : , : )\n\nEND MODULE metvars\n" }, { "path": "PREP/mcip/src/netcdf_io_mod.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nMODULE netcdf_io\n\n!-------------------------------------------------------------------------------\n! Name: NetCDF IO\n! Purpose: Contains routines to read NetCDF output.\n! Revised: 31 Aug 2004 Original version provided by U. Houston. (S.-B. Kim)\n! 21 Jul 2005 Updated to include error-handling on NetCDF functions\n! and to conform to NetCDF standard routines for\n! retrieving data (to eliminate type mismatches).\n! Updated formatting. (T. Otte)\n! 02 Aug 2005 Changed order of variable declarations in some\n! subroutines to avoid compile failure on some\n! machines. (T. Otte)\n! 20 Jun 2006 Removed unused variables. Changed local variables\n! FILE to FILENAME and DATA to DATAOUT to avoid\n! conflicts with F90 keywords. (T. Otte)\n! 19 Apr 2007 Added new routine GET_VAR_REAL2_CDF to read \"real\"\n! scalars, as needed for WRFv2.2. Added new routine\n! GET_DIM_INT_CDF to retrieve netCDF dimensions.\n! Changed internal error handling so that errors are\n! passed back using a non-zero RCODE for dimension\n! mismatches in addition to netCDF errors. (T. Otte)\n! 12 Feb 2010 Removed unused variable ID_TIME from subroutine\n! GET_GL_ATT_INT_CDF. (T. Otte)\n! 19 Mar 2010 Removed routines GET_DIMS_CDF, GET_DIM_INT_CDF,\n! GET_GL_ATT_INT_CDF, GET_GL_ATT_REAL_CDF,\n! GET_GL_ATT_TEXT_CDF, and GET_DIM_ATT_INT_CDF.\n! Removed file open and close functions from all\n! remaining routines, and changed input argument\n! from FILENAME to CDFID. (T. Otte)\n! 31 Aug 2011 Updated netCDF to F90. Removed GET_TIMES_CDF.\n! Changed F77 character declarations to F90 standard.\n! (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n! 02 Feb 2018 Added new routine GET_VAR_3D_INT_CDF. (T. Spero)\n! 22 Jun 2018 Changed module name from WRF_NETCDF to NETCDF_IO.\n! (T. Spero)\n!-------------------------------------------------------------------------------\n\nCONTAINS\n\n!-------------------------------------------------------------------------------\n!-------------------------------------------------------------------------------\n\nSUBROUTINE get_var_3d_real_cdf (cdfid, var, dum3d, it, rcode)\n\n USE netcdf\n\n IMPLICIT NONE\n\n INTEGER, INTENT(IN) :: cdfid\n REAL, INTENT(OUT) :: dum3d ( : , : , : )\n INTEGER :: id_data\n INTEGER, INTENT(IN) :: it\n INTEGER :: nx\n INTEGER :: ny\n INTEGER :: nz\n INTEGER, INTENT(OUT) :: rcode\n CHARACTER(LEN=*), INTENT(IN) :: var\n\n nx = SIZE(dum3d,1)\n ny = SIZE(dum3d,2)\n nz = SIZE(dum3d,3)\n\n rcode = nf90_inq_varid (cdfid, var, id_data)\n IF ( rcode /= nf90_noerr ) RETURN\n\n rcode = nf90_get_var (cdfid, id_data, dum3d, start=(/1,1,1,it/), &\n count=(/nx,ny,nz,1/))\n\nEND SUBROUTINE get_var_3d_real_cdf\n\n!-------------------------------------------------------------------------------\n!-------------------------------------------------------------------------------\n\nSUBROUTINE get_var_3d_int_cdf (cdfid, var, idum3d, it, rcode)\n\n USE netcdf\n\n IMPLICIT NONE\n\n INTEGER, INTENT(IN) :: cdfid\n INTEGER :: id_data\n INTEGER, INTENT(OUT) :: idum3d ( : , : , : )\n INTEGER, INTENT(IN) :: it\n INTEGER :: nx\n INTEGER :: ny\n INTEGER :: nz\n INTEGER, INTENT(OUT) :: rcode\n CHARACTER(LEN=*), INTENT(IN) :: var\n\n nx = SIZE(idum3d,1)\n ny = SIZE(idum3d,2)\n nz = SIZE(idum3d,3)\n\n rcode = nf90_inq_varid (cdfid, var, id_data)\n IF ( rcode /= nf90_noerr ) RETURN\n\n rcode = nf90_get_var (cdfid, id_data, idum3d, start=(/1,1,1,it/), &\n count=(/nx,ny,nz,1/))\n\nEND SUBROUTINE get_var_3d_int_cdf\n\n!-------------------------------------------------------------------------------\n!-------------------------------------------------------------------------------\n\nSUBROUTINE get_var_2d_real_cdf (cdfid, var, dum2d, it, rcode)\n\n USE netcdf\n\n IMPLICIT NONE\n\n INTEGER, INTENT(IN) :: cdfid\n REAL, INTENT(OUT) :: dum2d ( : , : )\n INTEGER :: id_data\n INTEGER, INTENT(IN) :: it\n INTEGER :: nx\n INTEGER :: ny\n INTEGER, INTENT(OUT) :: rcode\n CHARACTER(LEN=*), INTENT(IN) :: var\n\n nx = SIZE(dum2d,1)\n ny = SIZE(dum2d,2)\n\n rcode = nf90_inq_varid (cdfid, var, id_data)\n IF ( rcode /= nf90_noerr ) RETURN\n\n rcode = nf90_get_var (cdfid, id_data, dum2d, start=(/1,1,it/), &\n count=(/nx,ny,1/))\n\nEND SUBROUTINE get_var_2d_real_cdf\n\n!-------------------------------------------------------------------------------\n!-------------------------------------------------------------------------------\n\nSUBROUTINE get_var_2d_int_cdf (cdfid, var, idum2d, it, rcode)\n\n USE netcdf\n\n IMPLICIT NONE\n\n INTEGER, INTENT(IN) :: cdfid\n INTEGER :: id_data\n INTEGER, INTENT(OUT) :: idum2d ( : , : )\n INTEGER, INTENT(IN) :: it\n INTEGER :: nx\n INTEGER :: ny\n INTEGER, INTENT(OUT) :: rcode\n CHARACTER(LEN=*), INTENT(IN) :: var\n\n nx = SIZE(idum2d,1)\n ny = SIZE(idum2d,2)\n\n rcode = nf90_inq_varid (cdfid, var, id_data)\n IF ( rcode /= nf90_noerr ) RETURN\n\n rcode = nf90_get_var (cdfid, id_data, idum2d, start=(/1,1,it/), &\n count=(/nx,ny,1/))\n\nEND SUBROUTINE get_var_2d_int_cdf\n\n!-------------------------------------------------------------------------------\n!-------------------------------------------------------------------------------\n\nSUBROUTINE get_var_1d_real_cdf (cdfid, var, dum1d, it, rcode)\n\n USE netcdf\n\n IMPLICIT NONE\n\n INTEGER, INTENT(IN) :: cdfid\n REAL, INTENT(OUT) :: dum1d ( : )\n INTEGER :: id_data\n INTEGER, INTENT(IN) :: it\n INTEGER :: nx\n INTEGER, INTENT(OUT) :: rcode\n CHARACTER(LEN=*), INTENT(IN) :: var\n\n nx = SIZE(dum1d)\n\n rcode = nf90_inq_varid (cdfid, var, id_data)\n IF ( rcode /= nf90_noerr ) RETURN\n\n rcode = nf90_get_var (cdfid, id_data, dum1d, start=(/1,it/), &\n count=(/nx,1/))\n\nEND SUBROUTINE get_var_1d_real_cdf\n\n!-------------------------------------------------------------------------------\n!-------------------------------------------------------------------------------\n\nSUBROUTINE get_var_real_cdf (cdfid, var, scalar, rcode)\n\n USE netcdf\n\n IMPLICIT NONE\n\n INTEGER, INTENT(IN) :: cdfid\n INTEGER :: id_data\n INTEGER, INTENT(OUT) :: rcode\n REAL, INTENT(OUT) :: scalar\n CHARACTER(LEN=*), INTENT(IN) :: var\n\n rcode = nf90_inq_varid (cdfid, var, id_data)\n IF ( rcode /= nf90_noerr ) RETURN\n\n rcode = nf90_get_var (cdfid, id_data, scalar)\n\nEND SUBROUTINE get_var_real_cdf\n\n!-------------------------------------------------------------------------------\n!-------------------------------------------------------------------------------\n\nEND MODULE netcdf_io\n" }, { "path": "PREP/mcip/src/outclog.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nSUBROUTINE outclog\n\n!-------------------------------------------------------------------------------\n! Name: Output CTM -- Log\n! Purpose: Output sample of time-varying fields to log file.\n! Revised: 17 Dec 2018 Original version in MCIPv5.0. Subsumes parts of\n! metcro.f90, metdot.f90, soilcro.f90, and moscro.f90\n! from MCIPv4.5. (T. Spero)\n!-------------------------------------------------------------------------------\n\n USE mcipparm\n USE ctmvars\n\n IMPLICIT NONE\n\n CHARACTER(LEN=63) :: ifmt1\n INTEGER :: k\n INTEGER :: k1\n INTEGER :: k2\n INTEGER :: n\n CHARACTER(LEN=2) :: str1\n CHARACTER(LEN=2) :: str2\n\n!-------------------------------------------------------------------------------\n! Error, warning, and informational messages.\n!-------------------------------------------------------------------------------\n\n CHARACTER(LEN=256), PARAMETER :: f6000 = \"(1x, a9, 2x, f12.4, 2x, a)\"\n\n!-------------------------------------------------------------------------------\n! Print sample output to log file.\n!-------------------------------------------------------------------------------\n\n k1 = nlays / 5\n k2 = MOD(nlays, 5)\n\n WRITE ( str1, '(i2)' ) k1 - 1\n WRITE ( str2, '(i2)' ) k2\n\n IF ( (k1 - 1) > 0 ) THEN\n IF ( k2 > 0 ) THEN\n ifmt1 = \"(/,1x,a9,5(2x,f12.4),\" // str1 // \"(/,10x,5(2x,f12.4)),/,10x,\" &\n & // str2 // \"(2x,f12.4))\"\n ELSE\n ifmt1 = \"(/,1x,a9,5(2x,f12.4),\" // str1 // \"(/,10x,5(2x,f12.4)))\"\n ENDIF\n ELSE\n IF ( k2 > 0 ) THEN\n ifmt1 = \"(/,1x,a9,5(2x,f12.4),/,10x,\" // str2 // \"(2x,f12.4))\"\n ELSE\n ifmt1 = \"(/,1x,a9,5(2x,f12.4))\"\n ENDIF\n ENDIF\n\n WRITE (*,'(/,a,/)') '- METCRO: Printing sample cells in output grid'\n\n DO n = 1, nfld2dxyt\n WRITE (*,f6000) TRIM(fld2dxyt(n)%fldname), &\n fld2dxyt(n)%fld(lprt_col,lprt_row), &\n TRIM(fld2dxyt(n)%units)\n ENDDO\n\n DO n = 1, nfld3dxyzt\n WRITE (*,ifmt1) TRIM(fld3dxyzt(n)%fldname), &\n (fld3dxyzt(n)%fld(lprt_col,lprt_row,k),k=1,nlays)\n ENDDO\n\n IF ( nqspecies > 0 ) THEN\n DO n = 1, nfld3dxyzt_q\n WRITE (*,ifmt1) TRIM(fld3dxyzt_q(n)%fldname), &\n (fld3dxyzt_q(n)%fld(lprt_col,lprt_row,k),k=1,nlays)\n ENDDO\n ENDIF\n\n WRITE (*,'(/,a,/)') '- METDOT: Printing sample cells in output grid'\n\n DO n = 1, nfld3dxyzt_d\n WRITE (*,ifmt1) TRIM(fld3dxyzt_d(n)%fldname), &\n (fld3dxyzt_d(n)%fld(lprt_col,lprt_row,k),k=1,nlays)\n ENDDO\n\n IF ( ifsoil ) THEN\n\n k1 = metsoi / 5\n k2 = MOD(metsoi, 5)\n\n WRITE ( str1, '(i2)' ) k1 - 1\n WRITE ( str2, '(i2)' ) k2\n\n IF ( (k1 - 1) > 0 ) THEN\n IF ( k2 > 0 ) THEN\n ifmt1 = \"(/,1x,a9,5(2x,f12.4),\" // str1 // \"(/,10x,5(2x,f12.4)),/,10x,\"&\n & // str2 // \"(2x,f12.4))\"\n ELSE\n ifmt1 = \"(/,1x,a9,5(2x,f12.4),\" // str1 // \"(/,10x,5(2x,f12.4)))\"\n ENDIF\n ELSE\n IF ( k2 > 0 ) THEN\n ifmt1 = \"(/,1x,a9,5(2x,f12.4),/,10x,\" // str2 // \"(2x,f12.4))\"\n ELSE\n ifmt1 = \"(/,1x,a9,5(2x,f12.4))\"\n ENDIF\n ENDIF\n\n WRITE (*,'(/,a,/)') '- SOICRO: Printing sample cells in output grid'\n\n DO n = 1, nfld3dxyst\n WRITE (*,ifmt1) TRIM(fld3dxyst(n)%fldname), &\n (fld3dxyst(n)%fld(lprt_col,lprt_row,k),k=1,metsoi)\n ENDDO\n\n ENDIF ! ifsoil\n\nEND SUBROUTINE outclog\n" }, { "path": "PREP/mcip/src/outcm3io.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nSUBROUTINE outcm3io (sdate, stime)\n\n!-------------------------------------------------------------------------------\n! Name: Output CTM Fields in Models-3 I/O API\n! Purpose: Output time-varying fields in Models-3 I/O API.\n! Revised: 17 Dec 2018 Original version in MCIPv5.0. Subsumes parts of\n! metcro.f90, metdot.f90, soilcro.f90, and moscro.f90\n! from MCIPv4.5. (T. Spero)\n! 19 Jun 2019 Added optional variables from KF convective scheme\n! with radiative feedbacks. (T. Spero)\n! 15 Jul 2019 Corrected error in setting units for 3D microphysics\n! fields. (T. Spero)\n!-------------------------------------------------------------------------------\n\n USE mcipparm\n USE ctmvars\n USE coord\n USE files\n USE vgrd\n USE m3utilio\n\n IMPLICIT NONE\n\n REAL, PARAMETER :: epsilonq = 1.0e-30\n LOGICAL, SAVE :: first = .TRUE.\n INTEGER :: ii\n INTEGER :: n\n INTEGER :: nchar\n CHARACTER(LEN=16), PARAMETER :: pname = 'OUTCM3IO'\n INTEGER, INTENT(IN) :: sdate\n INTEGER, INTENT(IN) :: stime\n\n!-------------------------------------------------------------------------------\n! Error, warning, and informational messages.\n!-------------------------------------------------------------------------------\n\n CHARACTER(LEN=256), PARAMETER :: f9000 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** ERROR OPENING FILE ', a, &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9100 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** ERROR WRITING TO FILE ', a, &\n & /, 1x, 70('*'))\"\n\n!-------------------------------------------------------------------------------\n! Build common header for I/O API output.\n!-------------------------------------------------------------------------------\n\n CALL comheader (sdate, stime)\n\n!-------------------------------------------------------------------------------\n! Write MET_CRO_2D.\n!-------------------------------------------------------------------------------\n\n DO n = 1, nfld2dxyt\n\n vtype3d(n) = m3real\n\n nchar = LEN_TRIM(fld2dxyt(n)%fldname)\n vname3d(n)(1:nchar) = TRIM(fld2dxyt(n)%fldname)\n vname3d(n)(nchar+1:) = ' '\n\n nchar = LEN_TRIM(fld2dxyt(n)%units)\n units3d(n)(1:nchar) = TRIM(fld2dxyt(n)%units)\n units3d(n)(nchar+1:) = ' '\n\n nchar = LEN_TRIM(fld2dxyt(n)%long_name)\n vdesc3d(n)(1:nchar) = TRIM(fld2dxyt(n)%long_name)\n vdesc3d(n)(nchar+1:) = ' '\n\n ENDDO\n\n gdnam3d = TRIM(grdnam) // '_CROSS'\n\n xorig3d = xorig_gd\n yorig3d = yorig_gd\n ncols3d = ncols\n nrows3d = nrows\n nthik3d = nthik\n\n ftype3d = grdded3\n nvars3d = nfld2dxyt\n nlays3d = 1\n ncols3d = ncols\n nrows3d = nrows\n nthik3d = nthik\n tstep3d = grstep\n\n IF ( first ) THEN\n IF ( .NOT. open3 (metcro2d, fsunkn3, pname) ) THEN\n WRITE (*,f9000) TRIM(pname), TRIM(metcro2d)\n CALL graceful_stop (pname)\n ENDIF\n ENDIF\n\n IF ( .NOT. desc3 (metcro2d) ) THEN\n CALL m3err ('METCRO', sdate, stime, &\n 'Could not read DESC of ' // metcro2d // ' file', .TRUE.)\n ENDIF\n\n DO n = 1, nfld2dxyt\n IF ( .NOT. write3 (metcro2d, vname3d(n), sdate, stime, &\n fld2dxyt(n)%fld) ) THEN\n WRITE (*,f9100) TRIM(pname), TRIM(metcro2d)\n CALL graceful_stop (pname)\n ENDIF\n ENDDO\n\n!-------------------------------------------------------------------------------\n! Write MET_CRO_3D.\n!-------------------------------------------------------------------------------\n\n DO n = 1, nfld3dxyzt\n\n vtype3d(n) = m3real\n\n nchar = LEN_TRIM(fld3dxyzt(n)%fldname)\n vname3d(n)(1:nchar) = TRIM(fld3dxyzt(n)%fldname)\n vname3d(n)(nchar+1:) = ' '\n\n nchar = LEN_TRIM(fld3dxyzt(n)%units)\n units3d(n)(1:nchar) = TRIM(fld3dxyzt(n)%units)\n units3d(n)(nchar+1:) = ' '\n\n nchar = LEN_TRIM(fld3dxyzt(n)%long_name)\n vdesc3d(n)(1:nchar) = TRIM(fld3dxyzt(n)%long_name)\n vdesc3d(n)(nchar+1:) = ' '\n\n ENDDO\n\n IF ( nqspecies > 0 ) THEN\n\n DO ii = 1, nfld3dxyzt_q\n\n n = nfld3dxyzt + ii\n\n vtype3d(n) = m3real\n\n nchar = LEN_TRIM(fld3dxyzt_q(ii)%fldname)\n vname3d(n)(1:nchar) = TRIM(fld3dxyzt_q(ii)%fldname)\n vname3d(n)(nchar+1:) = ' '\n\n nchar = LEN_TRIM(fld3dxyzt_q(ii)%units)\n units3d(n)(1:nchar) = TRIM(fld3dxyzt_q(ii)%units)\n units3d(n)(nchar+1:) = ' '\n\n nchar = LEN_TRIM(fld3dxyzt_q(ii)%long_name)\n vdesc3d(n)(1:nchar) = TRIM(fld3dxyzt_q(ii)%long_name)\n vdesc3d(n)(nchar+1:) = ' '\n\n ENDDO\n\n ENDIF\n\n gdnam3d = TRIM(grdnam) // '_CROSS'\n\n xorig3d = xorig_gd\n yorig3d = yorig_gd\n ncols3d = ncols\n nrows3d = nrows\n nthik3d = nthik\n\n ftype3d = grdded3\n nvars3d = nfld3dxyzt + nfld3dxyzt_q\n nlays3d = nlays\n ncols3d = ncols\n nrows3d = nrows\n nthik3d = nthik\n tstep3d = grstep\n\n IF ( first ) THEN\n IF ( .NOT. open3 (metcro3d, fsunkn3, pname) ) THEN\n WRITE (*,f9000) TRIM(pname), TRIM(metcro3d)\n CALL graceful_stop (pname)\n ENDIF\n ENDIF\n\n IF ( .NOT. desc3 (metcro3d) ) THEN\n CALL m3err ('METCRO', sdate, stime, &\n 'Could not read DESC of ' // metcro3d // ' file', .TRUE.)\n ENDIF\n\n WHERE ( ABS(c_qv%fld(:,:,:)) < epsilonq ) c_qv%fld(:,:,:) = 0.0\n\n IF ( ASSOCIATED(c_qc) ) THEN\n WHERE ( ABS(c_qc%fld(:,:,:)) < epsilonq ) c_qc%fld(:,:,:) = 0.0\n ENDIF\n\n IF ( ASSOCIATED(c_qr) ) THEN\n WHERE ( ABS(c_qr%fld(:,:,:)) < epsilonq ) c_qr%fld(:,:,:) = 0.0\n ENDIF\n\n IF ( ASSOCIATED(c_qi) ) THEN\n WHERE ( ABS(c_qi%fld(:,:,:)) < epsilonq ) c_qi%fld(:,:,:) = 0.0\n ENDIF\n\n IF ( ASSOCIATED(c_qs) ) THEN\n WHERE ( ABS(c_qs%fld(:,:,:)) < epsilonq ) c_qs%fld(:,:,:) = 0.0\n ENDIF\n\n IF ( ASSOCIATED(c_qg) ) THEN\n WHERE ( ABS(c_qg%fld(:,:,:)) < epsilonq ) c_qg%fld(:,:,:) = 0.0\n ENDIF\n\n IF ( ASSOCIATED(c_qc_cu) ) THEN\n WHERE ( ABS(c_qc_cu%fld(:,:,:)) < epsilonq ) c_qc_cu%fld(:,:,:) = 0.0\n ENDIF\n\n IF ( ASSOCIATED(c_qi_cu) ) THEN\n WHERE ( ABS(c_qi_cu%fld(:,:,:)) < epsilonq ) c_qi_cu%fld(:,:,:) = 0.0\n ENDIF\n\n IF ( ASSOCIATED(c_cldfra_dp) ) THEN\n WHERE ( ABS(c_cldfra_dp%fld(:,:,:)) < epsilonq ) c_cldfra_dp%fld(:,:,:) = 0.0\n ENDIF\n\n IF ( ASSOCIATED(c_cldfra_sh) ) THEN\n WHERE ( ABS(c_cldfra_sh%fld(:,:,:)) < epsilonq ) c_cldfra_sh%fld(:,:,:) = 0.0\n ENDIF\n\n DO n = 1, nfld3dxyzt\n IF ( .NOT. write3 (metcro3d, vname3d(n), sdate, stime, &\n fld3dxyzt(n)%fld) ) THEN\n WRITE (*,f9100) TRIM(pname), TRIM(metcro2d)\n CALL graceful_stop (pname)\n ENDIF\n ENDDO\n\n IF ( nqspecies > 0 ) THEN\n DO n = 1, nfld3dxyzt_q\n IF ( .NOT. write3 (metcro3d, vname3d(nfld3dxyzt+n), sdate, stime, &\n fld3dxyzt_q(n)%fld) ) THEN\n WRITE (*,f9100) TRIM(pname), TRIM(metcro2d)\n CALL graceful_stop (pname)\n ENDIF\n ENDDO\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Write MET_BDY_3D. Header is the same as MET_CRO_3D except for file type.\n!-------------------------------------------------------------------------------\n\n ftype3d = bndary3\n\n IF ( first ) THEN\n IF ( .NOT. open3 (metbdy3d, fsunkn3, pname) ) THEN\n WRITE (*,f9000) TRIM(pname), TRIM(metbdy3d)\n CALL graceful_stop (pname)\n ENDIF\n ENDIF\n\n IF ( .NOT. desc3 (metbdy3d) ) THEN\n CALL m3err ('METCRO', sdate, stime, &\n 'Could not read DESC of ' // metbdy3d // ' file', .TRUE.)\n ENDIF\n\n WHERE ( ABS(c_qv%bdy(:,:)) < epsilonq ) c_qv%bdy(:,:) = 0.0\n\n IF ( ASSOCIATED(c_qc) ) THEN\n WHERE ( ABS(c_qc%bdy(:,:)) < epsilonq ) c_qc%bdy(:,:) = 0.0\n ENDIF\n\n IF ( ASSOCIATED(c_qr) ) THEN\n WHERE ( ABS(c_qr%bdy(:,:)) < epsilonq ) c_qr%bdy(:,:) = 0.0\n ENDIF\n\n IF ( ASSOCIATED(c_qi) ) THEN\n WHERE ( ABS(c_qi%bdy(:,:)) < epsilonq ) c_qi%bdy(:,:) = 0.0\n ENDIF\n\n IF ( ASSOCIATED(c_qs) ) THEN\n WHERE ( ABS(c_qs%bdy(:,:)) < epsilonq ) c_qs%bdy(:,:) = 0.0\n ENDIF\n\n IF ( ASSOCIATED(c_qg) ) THEN\n WHERE ( ABS(c_qg%bdy(:,:)) < epsilonq ) c_qg%bdy(:,:) = 0.0\n ENDIF\n\n IF ( ASSOCIATED(c_qc_cu) ) THEN\n WHERE ( ABS(c_qc_cu%bdy(:,:)) < epsilonq ) c_qc_cu%bdy(:,:) = 0.0\n ENDIF\n\n IF ( ASSOCIATED(c_qi_cu) ) THEN\n WHERE ( ABS(c_qi_cu%bdy(:,:)) < epsilonq ) c_qi_cu%bdy(:,:) = 0.0\n ENDIF\n\n IF ( ASSOCIATED(c_cldfra_dp) ) THEN\n WHERE ( ABS(c_cldfra_dp%bdy(:,:)) < epsilonq ) c_cldfra_dp%bdy(:,:) = 0.0\n ENDIF\n\n IF ( ASSOCIATED(c_cldfra_sh) ) THEN\n WHERE ( ABS(c_cldfra_sh%bdy(:,:)) < epsilonq ) c_cldfra_sh%bdy(:,:) = 0.0\n ENDIF\n\n DO n = 1, nfld3dxyzt\n IF ( .NOT. write3 (metbdy3d, vname3d(n), sdate, stime, &\n fld3dxyzt(n)%bdy) ) THEN\n WRITE (*,f9100) TRIM(pname), TRIM(metbdy3d)\n CALL graceful_stop (pname)\n ENDIF\n ENDDO\n\n IF ( nqspecies > 0 ) THEN\n DO n = 1, nfld3dxyzt_q\n IF ( .NOT. write3 (metbdy3d, vname3d(nfld3dxyzt+n), sdate, stime, &\n fld3dxyzt_q(n)%bdy) ) THEN\n WRITE (*,f9100) TRIM(pname), TRIM(metbdy3d)\n CALL graceful_stop (pname)\n ENDIF\n ENDDO\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Write MET_DOT_3D.\n!-------------------------------------------------------------------------------\n\n DO n = 1, nfld3dxyzt_d\n\n vtype3d(n) = m3real\n\n nchar = LEN_TRIM(fld3dxyzt_d(n)%fldname)\n vname3d(n)(1:nchar) = TRIM(fld3dxyzt_d(n)%fldname)\n vname3d(n)(nchar+1:) = ' '\n\n nchar = LEN_TRIM(fld3dxyzt_d(n)%units)\n units3d(n)(1:nchar) = TRIM(fld3dxyzt_d(n)%units)\n units3d(n)(nchar+1:) = ' '\n\n nchar = LEN_TRIM(fld3dxyzt_d(n)%long_name)\n vdesc3d(n)(1:nchar) = TRIM(fld3dxyzt_d(n)%long_name)\n vdesc3d(n)(nchar+1:) = ' '\n\n ENDDO\n\n gdnam3d = TRIM(grdnam) // '_DOT'\n\n xorig3d = xorig_gd - 0.5d0 * xcell_gd\n yorig3d = yorig_gd - 0.5d0 * ycell_gd\n ncols3d = ncols + 1\n nrows3d = nrows + 1\n nthik3d = nthik\n\n ftype3d = grdded3\n nvars3d = nfld3dxyzt_d\n nlays3d = nlays\n tstep3d = grstep\n\n IF ( first ) THEN\n IF ( .NOT. open3 (metdot3d, fsunkn3, pname) ) THEN\n WRITE (*,f9000) TRIM(pname), TRIM(metdot3d)\n CALL graceful_stop (pname)\n ENDIF\n ENDIF\n\n IF ( .NOT. desc3 (metdot3d) ) THEN\n CALL m3err ('METDOT', sdate, stime, &\n 'Could not read DESC of ' // metdot3d // ' file', .TRUE.)\n ENDIF\n\n DO n = 1, nfld3dxyzt_d\n IF ( .NOT. write3 (metdot3d, vname3d(n), sdate, stime, &\n fld3dxyzt_d(n)%fld) ) THEN\n WRITE (*,f9100) TRIM(pname), TRIM(metdot3d)\n CALL graceful_stop (pname)\n ENDIF\n ENDDO\n\n!-------------------------------------------------------------------------------\n! Write SOI_CRO.\n!-------------------------------------------------------------------------------\n\n IF ( ifsoil ) THEN\n\n CALL comheader_soi (sdate, stime)\n\n DO n = 1, nfld3dxyst\n\n vtype3d(n) = m3real\n\n nchar = LEN_TRIM(fld3dxyst(n)%fldname)\n vname3d(n)(1:nchar) = TRIM(fld3dxyst(n)%fldname)\n vname3d(n)(nchar+1:) = ' '\n\n nchar = LEN_TRIM(fld3dxyst(n)%units)\n units3d(n)(1:nchar) = TRIM(fld3dxyst(n)%units)\n units3d(n)(nchar+1:) = ' '\n\n nchar = LEN_TRIM(fld3dxyst(n)%long_name)\n vdesc3d(n)(1:nchar) = TRIM(fld3dxyst(n)%long_name)\n vdesc3d(n)(nchar+1:) = ' '\n\n ENDDO\n\n gdnam3d = TRIM(grdnam) // '_CROSS'\n\n ftype3d = grdded3\n nvars3d = nfld3dxyst\n nlays3d = metsoi\n ncols3d = ncols\n nrows3d = nrows\n nthik3d = nthik\n tstep3d = grstep\n\n IF ( first ) THEN\n IF ( .NOT. open3 (soicro, fsunkn3, pname) ) THEN\n WRITE (*,f9000) TRIM(pname), TRIM(soicro)\n CALL graceful_stop (pname)\n ENDIF\n ENDIF\n\n IF ( .NOT. desc3 (soicro) ) THEN\n CALL m3err ('SOICRO', sdate, stime, &\n 'Could not read DESC of ' // soicro // ' file', .TRUE.)\n ENDIF\n\n DO n = 1, nfld3dxyst\n IF ( .NOT. write3 (soicro, vname3d(n), sdate, stime, &\n fld3dxyst(n)%fld) ) THEN\n WRITE (*,f9100) TRIM(pname), TRIM(soicro)\n CALL graceful_stop (pname)\n ENDIF\n ENDDO\n\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Write MOSAIC_CRO.\n!-------------------------------------------------------------------------------\n\n IF ( ifmosaic ) THEN\n\n CALL comheader_mos (sdate, stime)\n\n DO n = 1, nfld3dxymt\n\n vtype3d(n) = m3real\n\n nchar = LEN_TRIM(fld3dxymt(n)%fldname)\n vname3d(n)(1:nchar) = TRIM(fld3dxymt(n)%fldname)\n vname3d(n)(nchar+1:) = ' '\n\n nchar = LEN_TRIM(fld3dxymt(n)%units)\n units3d(n)(1:nchar) = TRIM(fld3dxymt(n)%units)\n units3d(n)(nchar+1:) = ' '\n\n nchar = LEN_TRIM(fld3dxymt(n)%long_name)\n vdesc3d(n)(1:nchar) = TRIM(fld3dxymt(n)%long_name)\n vdesc3d(n)(nchar+1:) = ' '\n\n ENDDO\n\n gdnam3d = TRIM(grdnam) // '_CROSS'\n\n ftype3d = grdded3\n nvars3d = nfld3dxymt\n nlays3d = nummosaic\n ncols3d = ncols\n nrows3d = nrows\n nthik3d = nthik\n tstep3d = grstep\n\n IF ( first ) THEN\n IF ( .NOT. open3 (mosaiccro, fsunkn3, pname) ) THEN\n WRITE (*,f9000) TRIM(pname), TRIM(mosaiccro)\n CALL graceful_stop (pname)\n ENDIF\n ENDIF\n\n IF ( .NOT. desc3 (mosaiccro) ) THEN\n CALL m3err ('MOSCRO', sdate, stime, &\n 'Could not read DESC of ' // mosaiccro // ' file', .TRUE.)\n ENDIF\n\n DO n = 1, nfld3dxymt\n IF ( .NOT. write3 (mosaiccro, vname3d(n), sdate, stime, &\n fld3dxymt(n)%fld) ) THEN\n WRITE (*,f9100) TRIM(pname), TRIM(mosaiccro)\n CALL graceful_stop (pname)\n ENDIF\n ENDDO\n\n ENDIF\n\n first = .FALSE.\n\nEND SUBROUTINE outcm3io\n" }, { "path": "PREP/mcip/src/outglog.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nSUBROUTINE outglog\n\n!-------------------------------------------------------------------------------\n! Name: Output GRID -- Log\n! Purpose: Output sample of time-independent fields to log file.\n! Revised: 17 Dec 2018 Original version in MCIPv5.0. Subsumes part of\n! gridout.f90 from MCIPv4.5. (T. Spero)\n!-------------------------------------------------------------------------------\n\n USE mcipparm\n USE ctmvars\n\n IMPLICIT NONE\n\n CHARACTER(LEN=63) :: ifmt1\n INTEGER :: k\n INTEGER :: k1\n INTEGER :: k2\n INTEGER :: n\n CHARACTER(LEN=2) :: str1\n CHARACTER(LEN=2) :: str2\n\n!-------------------------------------------------------------------------------\n! Error, warning, and informational messages.\n!-------------------------------------------------------------------------------\n\n CHARACTER(LEN=256), PARAMETER :: f6000 = \"(1x, a9, 2x, f12.4, 2x, a)\"\n\n!-------------------------------------------------------------------------------\n! Print sample output to log file.\n!-------------------------------------------------------------------------------\n\n WRITE (*,'(/,a,/)') '- GRIDOUT: Printing sample cells in output grid'\n\n DO n = 1, nfld2dxy\n WRITE (*,f6000) TRIM(fld2dxy(n)%fldname), &\n fld2dxy(n)%fld(lprt_col,lprt_row), &\n TRIM(fld2dxy(n)%units)\n ENDDO\n\n DO n = 1, nfld2dxy_d\n WRITE (*,f6000) TRIM(fld2dxy_d(n)%fldname), &\n fld2dxy_d(n)%fld(lprt_col,lprt_row), &\n TRIM(fld2dxy_d(n)%units)\n ENDDO\n\n IF ( iflufrc ) THEN ! fractional land use data are available\n\n k1 = nummetlu / 5\n k2 = MOD(nummetlu, 5)\n\n WRITE ( str1, '(i2)' ) k1 - 1\n WRITE ( str2, '(i2)' ) k2\n\n IF ( (k1 - 1) > 0 ) THEN\n IF ( k2 > 0 ) THEN\n ifmt1 = \"(/,1x,a9,5(2x,f12.4),\" // str1 // \"(/,10x,5(2x,f12.4)),/,10x,\" &\n & // str2 // \"(2x,f12.4))\"\n ELSE\n ifmt1 = \"(/,1x,a9,5(2x,f12.4),\" // str1 // \"(/,10x,5(2x,f12.4)))\"\n ENDIF\n ELSE\n IF ( k2 > 0 ) THEN\n ifmt1 = \"(/,1x,a9,5(2x,f12.4),/,10x,\" // str2 // \"(2x,f12.4))\"\n ELSE\n ifmt1 = \"(/,1x,a9,5(2x,f12.4))\"\n ENDIF\n ENDIF\n\n WRITE (*,'(/,a,/)') '- LUCRO: Printing sample cells in output grid'\n\n DO n = 1, nfld3dxyl\n WRITE (*,ifmt1) TRIM(fld3dxyl(n)%fldname), &\n (fld3dxyl(n)%fld(lprt_col,lprt_row,k),k=1,nummetlu)\n ENDDO\n\n ENDIF\n\nEND SUBROUTINE outglog\n" }, { "path": "PREP/mcip/src/outgm3io.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nSUBROUTINE outgm3io (sdate, stime)\n\n!-------------------------------------------------------------------------------\n! Name: Output GRID Fields in Models-3 I/O API\n! Purpose: Output time-independent fields in Models-3 I/O API.\n! Revised: 17 Dec 2018 Original version in MCIPv5.0. Subsumes part of\n! gridout.f90 from MCIPv4.5. (T. Spero)\n! CCTM grid to a separate subroutine. Subsumed output\n! of fractional land use from lucro.f90. (T. Spero)\n! 09 Jul 2019 Corrected output time step to 0 for time-invariant\n! file LUFRAC_CRO. (T. Spero)\n!-------------------------------------------------------------------------------\n\n USE mcipparm\n USE xvars, ONLY: xlusrc\n USE ctmvars\n USE coord\n USE files\n USE m3utilio\n\n IMPLICIT NONE\n\n INTEGER :: n\n INTEGER :: nchar\n CHARACTER(LEN=16), PARAMETER :: pname = 'OUTGM3IO'\n INTEGER, INTENT(IN) :: sdate\n INTEGER, INTENT(IN) :: stime\n REAL(8) :: xorigdot\n REAL(8) :: yorigdot\n\n!-------------------------------------------------------------------------------\n! Error, warning, and informational messages.\n!-------------------------------------------------------------------------------\n\n CHARACTER(LEN=256), PARAMETER :: f9000 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** ERROR OPENING FILE ', a, &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9100 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** ERROR WRITING TO FILE ', a, &\n & /, 1x, 70('*'))\"\n\n!-------------------------------------------------------------------------------\n! Build common header for I/O API files.\n!-------------------------------------------------------------------------------\n\n CALL comheader (sdate, stime)\n\n!-------------------------------------------------------------------------------\n! Write GRID_CRO_2D.\n!-------------------------------------------------------------------------------\n\n DO n = 1, nfld2dxy\n\n vtype3d(n) = m3real\n\n nchar = LEN_TRIM(fld2dxy(n)%fldname)\n vname3d(n)(1:nchar) = TRIM(fld2dxy(n)%fldname)\n vname3d(n)(nchar+1:) = ' '\n\n nchar = LEN_TRIM(fld2dxy(n)%units)\n units3d(n)(1:nchar) = TRIM(fld2dxy(n)%units)\n units3d(n)(nchar+1:) = ' '\n\n IF ( TRIM(vname3d(n)) == 'DLUSE' ) THEN\n nchar = LEN_TRIM(TRIM(fld2dxy(n)%long_name) // ' ' // TRIM(xlusrc))\n vdesc3d(n)(1:nchar) = TRIM(fld2dxy(n)%long_name) // ' ' // TRIM(xlusrc)\n vdesc3d(n)(nchar+1:) = ' '\n ELSE\n nchar = LEN_TRIM(fld2dxy(n)%long_name)\n vdesc3d(n)(1:nchar) = TRIM(fld2dxy(n)%long_name)\n vdesc3d(n)(nchar+1:) = ' '\n ENDIF\n\n ENDDO\n\n gdnam3d = TRIM(grdnam) // '_CROSS'\n\n xorig3d = xorig_gd\n yorig3d = yorig_gd\n ncols3d = ncols\n nrows3d = nrows\n nthik3d = nthik\n\n ftype3d = grdded3\n nvars3d = nfld2dxy\n nlays3d = 1\n tstep3d = 0\n\n IF ( .NOT. open3 (gridcro2d, fsunkn3, pname) ) THEN\n WRITE (*,f9000) TRIM(pname), TRIM(gridcro2d)\n CALL graceful_stop (pname)\n ENDIF\n\n\n IF ( .NOT. desc3 (gridcro2d) ) THEN\n CALL m3err ('GRIDOUT', sdate, stime, &\n 'Could not read DESC of ' // gridcro2d // ' file', .TRUE.)\n ENDIF\n\n DO n = 1, nfld2dxy\n IF ( .NOT. write3 (gridcro2d, vname3d(n), sdate, stime, &\n fld2dxy(n)%fld) ) THEN\n WRITE (*,f9100) TRIM(pname), TRIM(gridcro2d)\n CALL graceful_stop (pname)\n ENDIF\n ENDDO\n\n!-------------------------------------------------------------------------------\n! Write GRID_BDY_2D. Header is the same as GRID_CRO_2D except for file type.\n!-------------------------------------------------------------------------------\n\n ftype3d = bndary3\n\n IF ( .NOT. open3 (gridbdy2d, fsunkn3, pname) ) THEN\n WRITE (*,f9000) TRIM(pname), TRIM(gridbdy2d)\n CALL graceful_stop (pname)\n ENDIF\n\n IF ( .NOT. desc3 (gridbdy2d) ) THEN\n CALL m3err ('GRIDOUT', sdate, stime, &\n 'Could not read DESC of ' // gridbdy2d // ' file', .TRUE.)\n ENDIF\n\n DO n = 1, nfld2dxy\n IF ( .NOT. write3 (gridbdy2d, vname3d(n), sdate, stime, &\n fld2dxy(n)%bdy) ) THEN\n WRITE (*,f9100) TRIM(pname), TRIM(gridbdy2d)\n CALL graceful_stop (pname)\n ENDIF\n ENDDO\n\n!-------------------------------------------------------------------------------\n! Write GRID_DOT_2D.\n!-------------------------------------------------------------------------------\n\n ! Compute XORIGDOT and YORIGDOT. Assume (XORIG_GD, YORIG_GD) are\n ! for cross cells without boundary.\n\n xorigdot = xorig_gd - (0.5 * xcell3d)\n yorigdot = yorig_gd - (0.5 * ycell3d)\n\n DO n = 1, nfld2dxy_d\n\n vtype3d(n) = m3real\n\n nchar = LEN_TRIM(fld2dxy_d(n)%fldname)\n vname3d(n)(1:nchar) = TRIM(fld2dxy_d(n)%fldname)\n vname3d(n)(nchar+1:) = ' '\n\n nchar = LEN_TRIM(fld2dxy_d(n)%units)\n units3d(n)(1:nchar) = TRIM(fld2dxy_d(n)%units)\n units3d(n)(nchar+1:) = ' '\n\n nchar = LEN_TRIM(fld2dxy_d(n)%long_name)\n vdesc3d(n)(1:nchar) = TRIM(fld2dxy_d(n)%long_name)\n vdesc3d(n)(nchar+1:) = ' '\n\n ENDDO\n\n gdnam3d = TRIM(grdnam) // '_DOT'\n\n xorig3d = xorigdot\n yorig3d = yorigdot\n ncols3d = ncols + 1\n nrows3d = nrows + 1\n nthik3d = nthik\n\n ftype3d = grdded3\n nvars3d = nfld2dxy_d\n nlays3d = 1\n tstep3d = 0\n\n IF ( .NOT. open3 (griddot2d, fsunkn3, pname) ) THEN\n WRITE (*,f9000) TRIM(pname), TRIM(griddot2d)\n CALL graceful_stop (pname)\n ENDIF\n\n IF ( .NOT. desc3 (griddot2d) ) THEN\n CALL m3err ('GRIDOUT', sdate, stime, &\n 'Could not read DESC of ' // griddot2d // ' file', .TRUE.)\n ENDIF\n\n DO n = 1, nfld2dxy_d\n IF ( .NOT. write3 (griddot2d, vname3d(n), sdate, stime, &\n fld2dxy_d(n)%fld) ) THEN\n WRITE (*,f9100) TRIM(pname), TRIM(griddot2d)\n CALL graceful_stop (pname)\n ENDIF\n ENDDO\n\n!-------------------------------------------------------------------------------\n! Write LUFRAC_CRO.\n!-------------------------------------------------------------------------------\n\n IF ( iflufrc ) THEN ! fractional land use data are available\n\n CALL comheader_lufrac (sdate, stime)\n\n DO n = 1, nfld3dxyl\n\n vtype3d(n) = m3real\n\n nchar = LEN_TRIM(fld3dxyl(n)%fldname)\n vname3d(n)(1:nchar) = TRIM(fld3dxyl(n)%fldname)\n vname3d(n)(nchar+1:) = ' '\n\n nchar = LEN_TRIM(fld3dxyl(n)%units)\n units3d(n)(1:nchar) = fld3dxyl(n)%units\n units3d(n)(nchar+1:) = ' '\n\n nchar = LEN_TRIM(fld3dxyl(n)%long_name)\n vdesc3d(n)(1:nchar) = fld3dxyl(n)%long_name\n vdesc3d(n)(nchar+1:) = ' '\n\n ENDDO\n\n gdnam3d = TRIM(grdnam) // '_CROSS'\n\n ftype3d = grdded3\n nvars3d = nfld3dxyl\n nlays3d = nummetlu\n ncols3d = ncols\n nrows3d = nrows\n nthik3d = nthik\n tstep3d = 0\n\n IF ( .NOT. open3 (lufraccro, fsunkn3, pname) ) THEN\n WRITE (*,f9000) TRIM(pname), TRIM(lufraccro)\n CALL graceful_stop (pname)\n ENDIF\n\n IF ( .NOT. desc3 (lufraccro) ) THEN\n CALL m3err ('LUCRO', sdate, stime, &\n 'Could not read DESC of ' // lufraccro // ' file', .TRUE.)\n ENDIF\n\n DO n = 1, nfld3dxyl\n IF ( .NOT. write3 (lufraccro, vname3d(n), sdate, stime, &\n fld3dxyl(n)%fld) ) THEN\n WRITE (*,f9100) TRIM(pname), TRIM(lufraccro)\n CALL graceful_stop (pname)\n ENDIF\n ENDDO\n\n ENDIF\n\nEND SUBROUTINE outgm3io\n" }, { "path": "PREP/mcip/src/outncf.f90", "content": "SUBROUTINE outncf (mcip_now, sdate, stime)\n\n!-------------------------------------------------------------------------------\n! Name: Output netCDF File\n! Purpose: Create a netCDF file of MCIP output.\n! Revised: 19 Dec 2018 Original version. (T. Spero)\n! 18 Jun 2019 Added soil depths to output. Created logic to support\n! true Arakawa-C sizing of output arrays rather than\n! false dot points for staggered fields. (T. Spero)\n!-------------------------------------------------------------------------------\n\n USE files\n USE ctmvars\n USE mcipparm\n USE metinfo, ONLY: met_hybrid\n USE metvars, ONLY: sigmah, sigmaf, c1f, c1h, c2f, c2h\n USE netcdf\n USE xvars, ONLY: xzsoil\n\n IMPLICIT NONE\n\n INTEGER :: dim_nlucat\n INTEGER :: dim_nmos\n INTEGER :: dim_nsoillay\n INTEGER :: dim_nx\n INTEGER :: dim_nxp1\n INTEGER :: dim_ny\n INTEGER :: dim_nyp1\n INTEGER :: dim_nz\n INTEGER :: dim_nzp1\n INTEGER :: dim_time\n INTEGER :: dim_timestr\n LOGICAL, SAVE :: first = .TRUE.\n CHARACTER(LEN=256) :: fl\n INTEGER, SAVE, ALLOCATABLE :: id_fld ( : )\n INTEGER, SAVE :: id_time\n INTEGER, SAVE :: it = 0\n INTEGER, PARAMETER :: len_time = 19\n CHARACTER(LEN=24), INTENT(IN) :: mcip_now\n INTEGER :: mydimx\n INTEGER :: mydimy\n INTEGER :: myendx\n INTEGER :: myendy\n INTEGER :: myendz\n INTEGER :: n\n INTEGER :: nn\n INTEGER :: ntot\n INTEGER :: nvars\n CHARACTER(LEN=16), PARAMETER :: pname = 'OUTNCF'\n INTEGER :: rcode\n INTEGER, INTENT(IN) :: sdate\n INTEGER, INTENT(IN) :: stime\n CHARACTER(LEN=32) :: var\n\n!-------------------------------------------------------------------------------\n! Error, warning, and informational messages.\n!-------------------------------------------------------------------------------\n\n CHARACTER(LEN=256), PARAMETER :: f9100 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** ERROR CREATING DIMENSION FOR ', a, &\n & /, 1x, '*** IN FILE ', a, &\n & /, 1x, '*** ', a, &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9200 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** ERROR DEFINING VARIABLE ', a, &\n & /, 1x, '*** IN FILE ', a, &\n & /, 1x, '*** ', a, &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9300 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** ERROR CREATING ATTRIBUTE FOR', a, &\n & /, 1x, '*** IN FILE ', a, &\n & /, 1x, '*** ', a, &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9350 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** ERROR ENDING DEFINITIONS ', &\n & /, 1x, '*** IN FILE ', a, &\n & /, 1x, '*** ', a, &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9400 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** ERROR WRITING VARIABLE ', a, &\n & /, 1x, '*** TO FILE ', a, &\n & /, 1x, '*** ', a, &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9500 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** ERROR CREATING NETCDF FILE', &\n & /, 1x, '*** FILE = ', a, &\n & /, 1x, '*** ', a, &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9700 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** ERROR CLOSING NETCDF FILE', &\n & /, 1x, '*** FILE = ', a, &\n & /, 1x, '*** ', a, &\n & /, 1x, 70('*'))\"\n\n!-------------------------------------------------------------------------------\n! Allocate necessary variables.\n!-------------------------------------------------------------------------------\n\n it = it + 1\n\n nvars = nfld2dxy + nfld2dxy_d + nfld3dxyl + &\n nfld2dxyt + nfld3dxyzt + nfld3dxyzt_q + nfld3dxyzt_d + &\n nfld3dxyst + nfld3dxymt + 2 ! the extra 2 are full and half layers\n\n IF ( met_hybrid >= 0 ) THEN\n nvars = nvars + 4\n ENDIF\n\n IF ( ifsoil ) THEN\n nvars = nvars + 1\n ENDIF\n\n IF ( .NOT. ALLOCATED ( id_fld ) ) ALLOCATE ( id_fld ( nvars ) )\n\n!-------------------------------------------------------------------------------\n! If first time calling this routine, set up the netCDF output file.\n!-------------------------------------------------------------------------------\n\n IF ( first ) THEN\n\n !-----------------------------------------------------------------------------\n ! Create netCDF file.\n !-----------------------------------------------------------------------------\n\n fl = TRIM(mcipncf)\n\n rcode = nf90_create (fl, nf90_noclobber, cdfid_m)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9500) TRIM(pname), TRIM(fl), TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n !-----------------------------------------------------------------------------\n ! Set up dimensions.\n !-----------------------------------------------------------------------------\n\n var = \"time\"\n rcode = nf90_def_dim (cdfid_m, TRIM(var), nf90_unlimited, dim_time)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9100) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n var = \"timestr\"\n rcode = nf90_def_dim (cdfid_m, TRIM(var), len_time, dim_timestr)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9100) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n var = \"nx\"\n rcode = nf90_def_dim (cdfid_m, TRIM(var), nx, dim_nx)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9100) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n var = \"ny\"\n rcode = nf90_def_dim (cdfid_m, TRIM(var), ny, dim_ny)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9100) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n var = \"nz\"\n rcode = nf90_def_dim (cdfid_m, TRIM(var), nz, dim_nz)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9100) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n var = \"nxp1\"\n rcode = nf90_def_dim (cdfid_m, TRIM(var), nxp1, dim_nxp1)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9100) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n var = \"nyp1\"\n rcode = nf90_def_dim (cdfid_m, TRIM(var), nyp1, dim_nyp1)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9100) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n var = \"nzp1\"\n rcode = nf90_def_dim (cdfid_m, TRIM(var), nzp1, dim_nzp1)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9100) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n IF ( ifsoil ) THEN\n var = \"nsoillay\"\n rcode = nf90_def_dim (cdfid_m, TRIM(var), nsoi, dim_nsoillay)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9100) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDIF\n\n var = \"nlucat\"\n rcode = nf90_def_dim (cdfid_m, TRIM(var), nlucat, dim_nlucat)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9100) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n IF ( ifmosaic ) THEN\n var = \"nmos\"\n rcode = nf90_def_dim (cdfid_m, TRIM(var), nmos, dim_nmos)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9100) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDIF\n\n !-----------------------------------------------------------------------------\n ! Define variables that will populate the file.\n !-----------------------------------------------------------------------------\n\n var = \"mtime\"\n rcode = nf90_def_var (cdfid_m, TRIM(var), nf90_char, &\n (/ dim_timestr, dim_time /), id_time)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9200) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n DO n = 1, nfld2dxy\n var = TRIM(fld2dxy(n)%fldname)\n rcode = nf90_def_var (cdfid_m, TRIM(var), nf90_float, &\n (/ dim_nx, dim_ny /), id_fld(n))\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9200) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDDO\n ntot = nfld2dxy\n\n DO n = 1, nfld2dxy_d ! Some Arakawa-B (dots), some Arakawa-C (faces)\n nn = ntot + n\n var = TRIM(fld2dxy_d(n)%fldname)\n IF ( fld2dxy_d(n)%iend(1) == nx ) THEN\n mydimx = dim_nx\n ELSE IF ( fld2dxy_d(n)%iend(1) == nxp1 ) THEN\n mydimx = dim_nxp1\n ELSE\n mydimx = 0\n ENDIF\n IF ( fld2dxy_d(n)%iend(2) == ny ) THEN\n mydimy = dim_ny\n ELSE IF ( fld2dxy_d(n)%iend(2) == nyp1 ) THEN\n mydimy = dim_nyp1\n ELSE\n mydimy = 0\n ENDIF\n rcode = nf90_def_var (cdfid_m, TRIM(var), nf90_float, &\n (/ mydimx, mydimy /), id_fld(nn))\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9200) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDDO\n ntot = ntot + nfld2dxy_d\n\n IF ( iflufrc ) THEN\n\n DO n = 1, nfld3dxyl\n nn = ntot + n\n var = TRIM(fld3dxyl(n)%fldname)\n rcode = nf90_def_var (cdfid_m, TRIM(var), nf90_float, &\n (/ dim_nx, dim_ny, dim_nlucat /), id_fld(nn))\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9200) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDDO\n ntot = ntot + nfld3dxyl\n\n ENDIF\n\n DO n = 1, nfld2dxyt\n nn = ntot + n\n var = TRIM(fld2dxyt(n)%fldname)\n rcode = nf90_def_var (cdfid_m, TRIM(var), nf90_float, &\n (/ dim_nx, dim_ny, dim_time /), id_fld(nn))\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9200) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDDO\n ntot = ntot + nfld2dxyt\n\n DO n = 1, nfld3dxyzt\n nn = ntot + n\n var = TRIM(fld3dxyzt(n)%fldname)\n rcode = nf90_def_var (cdfid_m, TRIM(var), nf90_float, &\n (/ dim_nx, dim_ny, dim_nz, dim_time /), id_fld(nn))\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9200) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDDO\n ntot = ntot + nfld3dxyzt\n\n DO n = 1, nfld3dxyzt_q\n nn = ntot + n\n var = TRIM(fld3dxyzt_q(n)%fldname)\n rcode = nf90_def_var (cdfid_m, TRIM(var), nf90_float, &\n (/ dim_nx, dim_ny, dim_nz, dim_time /), id_fld(nn))\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9200) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDDO\n ntot = ntot + nfld3dxyzt_q\n\n DO n = 1, nfld3dxyzt_d ! Some Arakawa-B (dots), some Arakawa-C (faces)\n nn = ntot + n\n var = TRIM(fld3dxyzt_d(n)%fldname)\n IF ( fld3dxyzt_d(n)%iend(1) == nx ) THEN\n mydimx = dim_nx\n ELSE IF ( fld3dxyzt_d(n)%iend(1) == nxp1 ) THEN\n mydimx = dim_nxp1\n ELSE\n mydimx = 0\n ENDIF\n IF ( fld3dxyzt_d(n)%iend(2) == ny ) THEN\n mydimy = dim_ny\n ELSE IF ( fld3dxyzt_d(n)%iend(2) == nyp1 ) THEN\n mydimy = dim_nyp1\n ELSE\n mydimy = 0\n ENDIF\n rcode = nf90_def_var (cdfid_m, TRIM(var), nf90_float, &\n (/ mydimx, mydimy, dim_nz, dim_time /), &\n id_fld(nn))\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9200) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDDO\n ntot = ntot + nfld3dxyzt_d\n\n IF ( ifsoil ) THEN\n DO n = 1, nfld3dxyst\n nn = ntot + n\n var = TRIM(fld3dxyst(n)%fldname)\n rcode = nf90_def_var (cdfid_m, TRIM(var), nf90_float, &\n (/ dim_nx, dim_ny, dim_nsoillay, dim_time /), &\n id_fld(nn))\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9200) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDDO\n ntot = ntot + nfld3dxyst\n ENDIF\n\n IF ( ifmosaic ) THEN\n DO n = 1, nfld3dxymt\n nn = ntot + n\n var = TRIM(fld3dxymt(n)%fldname)\n rcode = nf90_def_var (cdfid_m, TRIM(var), nf90_float, &\n (/ dim_nx, dim_ny, dim_nmos, dim_time /), &\n id_fld(nn))\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9200) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDDO\n ntot = ntot + nfld3dxymt\n ENDIF\n\n nn = ntot + 1\n var = \"ZNU\"\n rcode = nf90_def_var (cdfid_m, TRIM(var), nf90_float, &\n (/ dim_nz /), id_fld(nn))\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9200) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n nn = ntot + 2\n var = \"ZNW\"\n rcode = nf90_def_var (cdfid_m, TRIM(var), nf90_float, &\n (/ dim_nzp1 /), id_fld(nn))\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9200) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ntot = ntot + 2\n\n IF ( met_hybrid >= 0 ) THEN\n\n nn = ntot + 1\n var = \"C1H\"\n rcode = nf90_def_var (cdfid_m, TRIM(var), nf90_float, &\n (/ dim_nz /), id_fld(nn))\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9200) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n nn = ntot + 2\n var = \"C2H\"\n rcode = nf90_def_var (cdfid_m, TRIM(var), nf90_float, &\n (/ dim_nz /), id_fld(nn))\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9200) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n nn = ntot + 3\n var = \"C1F\"\n rcode = nf90_def_var (cdfid_m, TRIM(var), nf90_float, &\n (/ dim_nzp1 /), id_fld(nn))\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9200) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n nn = ntot + 4\n var = \"C2F\"\n rcode = nf90_def_var (cdfid_m, TRIM(var), nf90_float, &\n (/ dim_nzp1 /), id_fld(nn))\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9200) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n ntot = ntot + 4\n\n ENDIF ! met_hybrid >= 0\n\n IF ( ifsoil ) THEN\n nn = ntot + 1\n var = \"ZSOIL\"\n rcode = nf90_def_var (cdfid_m, TRIM(var), nf90_float, &\n (/ dim_nsoillay /), id_fld(nn))\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9200) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ntot = ntot + 1\n ENDIF ! ifsoil = .TRUE.\n\n !-----------------------------------------------------------------------------\n ! Define global attributes.\n !-----------------------------------------------------------------------------\n\n CALL outncfglobal (cdfid_m, fl)\n\n !-----------------------------------------------------------------------------\n ! Define attributes for the variables.\n !-----------------------------------------------------------------------------\n\n DO n = 1, nfld2dxy\n var = TRIM(fld2dxy(n)%fldname)\n rcode = nf90_put_att (cdfid_m, id_fld(n), 'long_name', &\n TRIM(fld2dxy(n)%long_name))\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n rcode = nf90_put_att (cdfid_m, id_fld(n), 'units', TRIM(fld2dxy(n)%units))\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDDO\n ntot = nfld2dxy\n\n DO n = 1, nfld2dxy_d\n nn = ntot + n\n var = TRIM(fld2dxy_d(n)%fldname)\n rcode = nf90_put_att (cdfid_m, id_fld(nn), 'long_name', &\n TRIM(fld2dxy_d(n)%long_name))\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n rcode = nf90_put_att (cdfid_m, id_fld(nn), 'units', &\n TRIM(fld2dxy_d(n)%units))\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDDO\n ntot = ntot + nfld2dxy_d\n\n IF ( iflufrc ) THEN\n DO n = 1, nfld3dxyl\n nn = ntot + n\n var = TRIM(fld3dxyl(n)%fldname)\n rcode = nf90_put_att (cdfid_m, id_fld(nn), 'long_name', &\n TRIM(fld3dxyl(n)%long_name))\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n rcode = nf90_put_att (cdfid_m, id_fld(nn), 'units', &\n TRIM(fld3dxyl(n)%units))\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDDO\n ntot = ntot + nfld3dxyl\n ENDIF\n\n DO n = 1, nfld2dxyt\n nn = ntot + n\n var = TRIM(fld2dxyt(n)%fldname)\n rcode = nf90_put_att (cdfid_m, id_fld(nn), 'long_name', &\n TRIM(fld2dxyt(n)%long_name))\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n rcode = nf90_put_att (cdfid_m, id_fld(nn), 'units', &\n TRIM(fld2dxyt(n)%units))\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDDO\n ntot = ntot + nfld2dxyt\n\n DO n = 1, nfld3dxyzt\n nn = ntot + n\n var = TRIM(fld3dxyzt(n)%fldname)\n rcode = nf90_put_att (cdfid_m, id_fld(nn), 'long_name', &\n TRIM(fld3dxyzt(n)%long_name))\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n rcode = nf90_put_att (cdfid_m, id_fld(nn), 'units', &\n TRIM(fld3dxyzt(n)%units))\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDDO\n ntot = ntot + nfld3dxyzt\n\n DO n = 1, nfld3dxyzt_q\n nn = ntot + n\n var = TRIM(fld3dxyzt_q(n)%fldname)\n rcode = nf90_put_att (cdfid_m, id_fld(nn), 'long_name', &\n TRIM(fld3dxyzt_q(n)%long_name))\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n rcode = nf90_put_att (cdfid_m, id_fld(nn), 'units', &\n TRIM(fld3dxyzt_q(n)%units))\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDDO\n ntot = ntot + nfld3dxyzt_q\n\n DO n = 1, nfld3dxyzt_d\n nn = ntot + n\n var = TRIM(fld3dxyzt_d(n)%fldname)\n rcode = nf90_put_att (cdfid_m, id_fld(nn), 'long_name', &\n TRIM(fld3dxyzt_d(n)%long_name))\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n rcode = nf90_put_att (cdfid_m, id_fld(nn), 'units', &\n TRIM(fld3dxyzt_d(n)%units))\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDDO\n ntot = ntot + nfld3dxyzt_d\n\n IF ( ifsoil ) THEN\n DO n = 1, nfld3dxyst\n nn = ntot + n\n var = TRIM(fld3dxyst(n)%fldname)\n rcode = nf90_put_att (cdfid_m, id_fld(nn), 'long_name', &\n TRIM(fld3dxyst(n)%long_name))\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n rcode = nf90_put_att (cdfid_m, id_fld(nn), 'units', &\n TRIM(fld3dxyst(n)%units))\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDDO\n ntot = ntot + nfld3dxyst\n ENDIF\n\n IF ( ifmosaic ) THEN\n DO n = 1, nfld3dxymt\n nn = ntot + n\n var = TRIM(fld3dxymt(n)%fldname)\n rcode = nf90_put_att (cdfid_m, id_fld(nn), 'long_name', &\n TRIM(fld3dxymt(n)%long_name))\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n rcode = nf90_put_att (cdfid_m, id_fld(nn), 'units', &\n TRIM(fld3dxymt(n)%units))\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDDO\n ntot = ntot + nfld3dxymt\n ENDIF\n\n nn = ntot + 1\n var = \"ZNU\"\n rcode = nf90_put_att (cdfid_m, id_fld(nn), 'long_name', &\n \"eta values on half (mass) levels\")\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n rcode = nf90_put_att (cdfid_m, id_fld(nn), 'units', &\n \"1\")\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n nn = ntot + 2\n var = \"ZNW\"\n rcode = nf90_put_att (cdfid_m, id_fld(nn), 'long_name', &\n \"eta values on full (w) levels\")\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n rcode = nf90_put_att (cdfid_m, id_fld(nn), 'units', &\n \"1\")\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n ntot = ntot + 2\n\n IF ( met_hybrid >= 0 ) THEN\n\n nn = ntot + 1\n var = \"C1H\"\n rcode = nf90_put_att (cdfid_m, id_fld(nn), 'long_name', &\n \"half levels, c1h = d bf / d eta, using znw\")\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n rcode = nf90_put_att (cdfid_m, id_fld(nn), 'units', &\n \"1\")\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n nn = ntot + 2\n var = \"C2H\"\n rcode = nf90_put_att (cdfid_m, id_fld(nn), 'long_name', &\n \"half levels, c2h = (1-c1h)*(p0-pt)\")\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n rcode = nf90_put_att (cdfid_m, id_fld(nn), 'units', &\n \"1\")\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n nn = ntot + 3\n var = \"C1F\"\n rcode = nf90_put_att (cdfid_m, id_fld(nn), 'long_name', &\n \"full levels, c1f = d bf / d eta, using znu\")\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n rcode = nf90_put_att (cdfid_m, id_fld(nn), 'units', &\n \"1\")\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n nn = ntot + 4\n var = \"C2F\"\n rcode = nf90_put_att (cdfid_m, id_fld(nn), 'long_name', &\n \"full levels, c2f = (1-c1f)*(p0-pt)\")\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n rcode = nf90_put_att (cdfid_m, id_fld(nn), 'units', &\n \"1\")\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n ntot = ntot + 4\n\n ENDIF ! met_hybrid >= 0\n\n IF ( ifsoil ) THEN\n nn = ntot + 1\n var = \"ZSOIL\"\n rcode = nf90_put_att (cdfid_m, id_fld(nn), 'long_name', &\n \"depth of bottom of soil layer\")\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n rcode = nf90_put_att (cdfid_m, id_fld(nn), 'units', &\n \"m\")\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ntot = ntot + 1\n ENDIF ! ifsoil = .TRUE.\n\n rcode = nf90_enddef (cdfid_m)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9350) TRIM(pname), TRIM(fl), TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n ENDIF ! first = .TRUE.\n\n!-------------------------------------------------------------------------------\n! Write variables.\n!-------------------------------------------------------------------------------\n\n var = \"mtime\"\n rcode = nf90_put_var (cdfid_m, id_time, mcip_now(1:len_time), &\n start = (/ 1, it /), count = (/ len_time, 1 /) )\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9400) TRIM(pname), TRIM(var), TRIM(fl), TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n IF ( first ) THEN ! write time-independent fields\n\n DO n = 1, nfld2dxy\n var = TRIM(fld2dxy(n)%fldname)\n rcode = nf90_put_var (cdfid_m, id_fld(n), fld2dxy(n)%fld)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9400) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDDO\n\n DO n = 1, nfld2dxy_d ! Some Arakawa-B (dots), some Arakawa-C (faces)\n nn = nfld2dxy + n\n var = TRIM(fld2dxy_d(n)%fldname)\n myendx = fld2dxy_d(n)%iend(1)\n myendy = fld2dxy_d(n)%iend(2)\n rcode = nf90_put_var (cdfid_m, id_fld(nn), &\n fld2dxy_d(n)%fld(1:myendx,1:myendy), &\n start = (/ 1, 1 /), &\n count = (/ myendx, myendy /) )\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9400) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDDO\n\n IF ( iflufrc ) THEN\n DO n = 1, nfld3dxyl\n nn = nfld2dxy + nfld2dxy_d + n\n var = TRIM(fld3dxyl(n)%fldname)\n rcode = nf90_put_var (cdfid_m, id_fld(nn), fld3dxyl(n)%fld)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9400) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDDO\n ENDIF\n\n ENDIF ! first\n\n ntot = nfld2dxy + nfld2dxy_d + nfld3dxyl\n\n DO n = 1, nfld2dxyt\n nn = ntot + n\n var = TRIM(fld2dxyt(n)%fldname)\n rcode = nf90_put_var (cdfid_m, id_fld(nn), fld2dxyt(n)%fld, &\n start = (/ 1, 1, it /), &\n count = (/ fld2dxyt(n)%iend(1), &\n fld2dxyt(n)%iend(2), 1 /) )\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9400) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDDO\n ntot = ntot + nfld2dxyt\n\n DO n = 1, nfld3dxyzt\n nn = ntot + n\n var = TRIM(fld3dxyzt(n)%fldname)\n rcode = nf90_put_var (cdfid_m, id_fld(nn), fld3dxyzt(n)%fld, &\n start = (/ 1, 1, 1, it /), &\n count = (/ fld3dxyzt(n)%iend(1), &\n fld3dxyzt(n)%iend(2), &\n fld3dxyzt(n)%iend(3), 1 /) )\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9400) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDDO\n ntot = ntot + nfld3dxyzt\n\n DO n = 1, nfld3dxyzt_q\n nn = ntot + n\n var = TRIM(fld3dxyzt_q(n)%fldname)\n rcode = nf90_put_var (cdfid_m, id_fld(nn), fld3dxyzt_q(n)%fld, &\n start = (/ 1, 1, 1, it /), &\n count = (/ fld3dxyzt_q(n)%iend(1), &\n fld3dxyzt_q(n)%iend(2), &\n fld3dxyzt_q(n)%iend(3), 1 /) )\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9400) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDDO\n ntot = ntot + nfld3dxyzt_q\n\n DO n = 1, nfld3dxyzt_d ! Some Arakawa-B (dots), some Arakawa-C (faces)\n nn = ntot + n\n var = TRIM(fld3dxyzt_d(n)%fldname)\n myendx = fld3dxyzt_d(n)%iend(1)\n myendy = fld3dxyzt_d(n)%iend(2)\n myendz = fld3dxyzt_d(n)%iend(3)\n rcode = nf90_put_var (cdfid_m, id_fld(nn), &\n fld3dxyzt_d(n)%fld(1:myendx,1:myendy,1:myendz), &\n start = (/ 1, 1, 1, it /), &\n count = (/ myendx, myendy, myendz, 1 /) )\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9400) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDDO\n ntot = ntot + nfld3dxyzt_d\n\n IF ( ifsoil ) THEN\n DO n = 1, nfld3dxyst\n nn = ntot + n\n var = TRIM(fld3dxyst(n)%fldname)\n rcode = nf90_put_var (cdfid_m, id_fld(nn), fld3dxyst(n)%fld, &\n start = (/ 1, 1, 1, it /), &\n count = (/ fld3dxyst(n)%iend(1), &\n fld3dxyst(n)%iend(2), &\n fld3dxyst(n)%iend(3), 1 /) )\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9400) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDDO\n ntot = ntot + nfld3dxyst\n ENDIF\n\n IF ( ifmosaic ) THEN\n DO n = 1, nfld3dxymt\n nn = ntot + n\n var = TRIM(fld3dxymt(n)%fldname)\n rcode = nf90_put_var (cdfid_m, id_fld(nn), fld3dxymt(n)%fld, &\n start = (/ 1, 1, 1, it /), &\n count = (/ fld3dxymt(n)%iend(1), &\n fld3dxymt(n)%iend(2), &\n fld3dxymt(n)%iend(3), 1 /) )\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9400) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDDO\n ntot = ntot + nfld3dxymt\n ENDIF\n\n nn = ntot + 1\n var = \"ZNU\"\n rcode = nf90_put_var (cdfid_m, id_fld(nn), sigmah)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9400) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n nn = ntot + 2\n var = \"ZNW\"\n rcode = nf90_put_var (cdfid_m, id_fld(nn), sigmaf)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9400) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n ntot = ntot + 2\n\n IF ( met_hybrid >= 0 ) THEN\n\n nn = ntot + 1\n var = \"C1H\"\n rcode = nf90_put_var (cdfid_m, id_fld(nn), c1h)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9400) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n nn = ntot + 2\n var = \"C2H\"\n rcode = nf90_put_var (cdfid_m, id_fld(nn), c2h)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9400) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n nn = ntot + 3\n var = \"C1F\"\n rcode = nf90_put_var (cdfid_m, id_fld(nn), c1f)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9400) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n nn = ntot + 4\n var = \"C2F\"\n rcode = nf90_put_var (cdfid_m, id_fld(nn), c2f)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9400) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n ntot = ntot + 4\n\n ENDIF ! met_hybrid >= 0\n\n IF ( ifsoil ) THEN\n nn = ntot + 1\n var = \"ZSOIL\"\n rcode = nf90_put_var (cdfid_m, id_fld(nn), xzsoil)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9400) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDIF ! ifsoil = .TRUE.\n\n first = .FALSE.\n\nEND SUBROUTINE outncf\n" }, { "path": "PREP/mcip/src/outncfbdy.f90", "content": "SUBROUTINE outncfbdy (mcip_now, sdate, stime)\n\n!-------------------------------------------------------------------------------\n! Name: Output netCDF File on Lateral Boundaries\n! Purpose: Create a netCDF file of MCIP output on lateral boundaries.\n! Revised: 19 Dec 2018 Original version. (T. Spero)\n!-------------------------------------------------------------------------------\n\n USE files\n USE ctmvars\n USE mcipparm\n USE netcdf\n\n IMPLICIT NONE\n\n INTEGER :: dim_nperim\n INTEGER :: dim_nz\n INTEGER :: dim_time\n INTEGER :: dim_timestr\n LOGICAL, SAVE :: first = .TRUE.\n CHARACTER(LEN=256) :: fl\n INTEGER, SAVE, ALLOCATABLE :: id_fld ( : )\n INTEGER, SAVE :: id_time\n INTEGER, SAVE :: it = 0\n INTEGER, PARAMETER :: len_time = 19\n CHARACTER(LEN=24), INTENT(IN) :: mcip_now\n INTEGER :: n\n INTEGER :: nn\n INTEGER :: ntot\n INTEGER :: nvars\n CHARACTER(LEN=16), PARAMETER :: pname = 'OUTNCF'\n INTEGER :: rcode\n INTEGER, INTENT(IN) :: sdate\n INTEGER, INTENT(IN) :: stime\n CHARACTER(LEN=32) :: var\n\n!-------------------------------------------------------------------------------\n! Error, warning, and informational messages.\n!-------------------------------------------------------------------------------\n\n CHARACTER(LEN=256), PARAMETER :: f9100 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** ERROR CREATING DIMENSION FOR ', a, &\n & /, 1x, '*** IN FILE ', a, &\n & /, 1x, '*** ', a, &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9200 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** ERROR DEFINING VARIABLE ', a, &\n & /, 1x, '*** IN FILE ', a, &\n & /, 1x, '*** ', a, &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9300 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** ERROR CREATING ATTRIBUTE FOR', a, &\n & /, 1x, '*** IN FILE ', a, &\n & /, 1x, '*** ', a, &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9350 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** ERROR ENDING DEFINITIONS ', &\n & /, 1x, '*** IN FILE ', a, &\n & /, 1x, '*** ', a, &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9400 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** ERROR WRITING VARIABLE ', a, &\n & /, 1x, '*** TO FILE ', a, &\n & /, 1x, '*** ', a, &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9500 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** ERROR CREATING NETCDF FILE', &\n & /, 1x, '*** FILE = ', a, &\n & /, 1x, '*** ', a, &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9700 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** ERROR CLOSING NETCDF FILE', &\n & /, 1x, '*** FILE = ', a, &\n & /, 1x, '*** ', a, &\n & /, 1x, 70('*'))\"\n\n!-------------------------------------------------------------------------------\n! Allocate necessary variables.\n!-------------------------------------------------------------------------------\n\n it = it + 1\n\n nvars = nfld2dxy + nfld3dxyzt + nfld3dxyzt_q\n\n IF ( .NOT. ALLOCATED ( id_fld ) ) ALLOCATE ( id_fld ( nvars ) )\n\n!-------------------------------------------------------------------------------\n! If first time calling this routine, set up the netCDF output file.\n!-------------------------------------------------------------------------------\n\n IF ( first ) THEN\n\n !-----------------------------------------------------------------------------\n ! Create netCDF file.\n !-----------------------------------------------------------------------------\n\n fl = TRIM(mcipbdyncf)\n\n rcode = nf90_create (fl, nf90_noclobber, cdfid_b)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9500) TRIM(pname), TRIM(fl), TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n !-----------------------------------------------------------------------------\n ! Set up dimensions.\n !-----------------------------------------------------------------------------\n\n var = \"time\"\n rcode = nf90_def_dim (cdfid_b, TRIM(var), nf90_unlimited, dim_time)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9100) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n var = \"timestr\"\n rcode = nf90_def_dim (cdfid_b, TRIM(var), len_time, dim_timestr)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9100) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n var = \"nperim\"\n rcode = nf90_def_dim (cdfid_b, TRIM(var), nperim, dim_nperim)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9100) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n var = \"nz\"\n rcode = nf90_def_dim (cdfid_b, TRIM(var), nz, dim_nz)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9100) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n !-----------------------------------------------------------------------------\n ! Define variables that will populate the file.\n !-----------------------------------------------------------------------------\n\n var = \"mtime\"\n rcode = nf90_def_var (cdfid_b, TRIM(var), nf90_char, &\n (/ dim_timestr, dim_time /), id_time)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9200) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n DO n = 1, nfld2dxy\n var = TRIM(fld2dxy(n)%fldname)\n rcode = nf90_def_var (cdfid_b, TRIM(var), nf90_float, &\n (/ dim_nperim /), id_fld(n))\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9200) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDDO\n ntot = nfld2dxy\n\n DO n = 1, nfld3dxyzt\n nn = ntot + n\n var = TRIM(fld3dxyzt(n)%fldname)\n rcode = nf90_def_var (cdfid_b, TRIM(var), nf90_float, &\n (/ dim_nperim, dim_nz, dim_time /), id_fld(nn))\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9200) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDDO\n ntot = ntot + nfld3dxyzt\n\n DO n = 1, nfld3dxyzt_q\n nn = ntot + n\n var = TRIM(fld3dxyzt_q(n)%fldname)\n rcode = nf90_def_var (cdfid_b, TRIM(var), nf90_float, &\n (/ dim_nperim, dim_nz, dim_time /), id_fld(nn))\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9200) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDDO\n ntot = ntot + nfld3dxyzt_q\n\n !-----------------------------------------------------------------------------\n ! Define global attributes.\n !-----------------------------------------------------------------------------\n\n CALL outncfglobal (cdfid_b, fl)\n\n !-----------------------------------------------------------------------------\n ! Define attributes for the variables.\n !-----------------------------------------------------------------------------\n\n DO n = 1, nfld2dxy\n var = TRIM(fld2dxy(n)%fldname)\n rcode = nf90_put_att (cdfid_b, id_fld(n), 'long_name', &\n TRIM(fld2dxy(n)%long_name))\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n rcode = nf90_put_att (cdfid_b, id_fld(n), 'units', TRIM(fld2dxy(n)%units))\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDDO\n ntot = nfld2dxy\n\n DO n = 1, nfld3dxyzt\n nn = ntot + n\n var = TRIM(fld3dxyzt(n)%fldname)\n rcode = nf90_put_att (cdfid_b, id_fld(nn), 'long_name', &\n TRIM(fld3dxyzt(n)%long_name))\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n rcode = nf90_put_att (cdfid_b, id_fld(nn), 'units', &\n TRIM(fld3dxyzt(n)%units))\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDDO\n ntot = ntot + nfld3dxyzt\n\n DO n = 1, nfld3dxyzt_q\n nn = ntot + n\n var = TRIM(fld3dxyzt_q(n)%fldname)\n rcode = nf90_put_att (cdfid_b, id_fld(nn), 'long_name', &\n TRIM(fld3dxyzt_q(n)%long_name))\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n rcode = nf90_put_att (cdfid_b, id_fld(nn), 'units', &\n TRIM(fld3dxyzt_q(n)%units))\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDDO\n ntot = ntot + nfld3dxyzt_q\n\n rcode = nf90_enddef (cdfid_b)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9350) TRIM(pname), TRIM(fl), TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n ENDIF ! first = .TRUE.\n\n!-------------------------------------------------------------------------------\n! Write variables.\n!-------------------------------------------------------------------------------\n\n var = \"mtime\"\n rcode = nf90_put_var (cdfid_b, id_time, mcip_now(1:len_time), &\n start = (/ 1, it /), count = (/ len_time, 1 /) )\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9400) TRIM(pname), TRIM(var), TRIM(fl), TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n IF ( first ) THEN ! write time-independent fields\n\n DO n = 1, nfld2dxy\n var = TRIM(fld2dxy(n)%fldname)\n rcode = nf90_put_var (cdfid_b, id_fld(n), fld2dxy(n)%bdy)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9400) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDDO\n\n ENDIF ! first\n\n ntot = nfld2dxy\n\n DO n = 1, nfld3dxyzt\n nn = ntot + n\n var = TRIM(fld3dxyzt(n)%fldname)\n rcode = nf90_put_var (cdfid_b, id_fld(nn), fld3dxyzt(n)%bdy, &\n start = (/ 1, 1, it /), &\n count = (/ fld3dxyzt(n)%iend_b(1), &\n fld3dxyzt(n)%iend_b(2), 1 /) )\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9400) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDDO\n ntot = ntot + nfld3dxyzt\n\n DO n = 1, nfld3dxyzt_q\n nn = ntot + n\n var = TRIM(fld3dxyzt_q(n)%fldname)\n rcode = nf90_put_var (cdfid_b, id_fld(nn), fld3dxyzt_q(n)%bdy, &\n start = (/ 1, 1, it /), &\n count = (/ fld3dxyzt_q(n)%iend_b(1), &\n fld3dxyzt_q(n)%iend_b(2), 1 /) )\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9400) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDDO\n ntot = ntot + nfld3dxyzt_q\n\n first = .FALSE.\n\nEND SUBROUTINE outncfbdy\n" }, { "path": "PREP/mcip/src/outncfglobal.f90", "content": "SUBROUTINE outncfglobal (cdfid_in, fl)\n\n!-------------------------------------------------------------------------------\n! Name: Output netCDF Global Attributes\n! Purpose: Write netCDF global attributes.\n! Revised: 19 Dec 2018 Original version. (T. Spero)\n!-------------------------------------------------------------------------------\n\n USE metinfo\n USE mcipparm\n USE netcdf\n USE coord ! <-- these are I/O API coordinate variables\n\n IMPLICIT NONE\n\n INTEGER, INTENT(IN) :: cdfid_in\n CHARACTER(LEN=32) :: cstr\n CHARACTER(LEN=256), INTENT(IN) :: fl\n CHARACTER(LEN=16), PARAMETER :: pname = 'OUTNCFGLOBAL'\n INTEGER :: rcode\n CHARACTER(LEN=32) :: var\n\n!-------------------------------------------------------------------------------\n! Error, warning, and informational messages.\n!-------------------------------------------------------------------------------\n\n CHARACTER(LEN=256), PARAMETER :: f9300 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** ERROR CREATING ATTRIBUTE FOR', a, &\n & /, 1x, '*** IN FILE ', a, &\n & /, 1x, '*** ', a, &\n & /, 1x, 70('*'))\"\n\n!-------------------------------------------------------------------------------\n! Define global attributes.\n!-------------------------------------------------------------------------------\n\n var = \"PROGNAME\"\n rcode = nf90_put_att (cdfid_in, nf90_global, var, progname)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n var = \"VERSION\"\n rcode = nf90_put_att (cdfid_in, nf90_global, var, ver)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n var = \"CODE_DATE\"\n rcode = nf90_put_att (cdfid_in, nf90_global, var, vdate)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n var = \"INPUT_MODEL\"\n IF ( met_model == 2 ) THEN\n cstr = \"WRF ARW \" // TRIM(met_release)\n ELSE\n cstr = \" \"\n ENDIF\n rcode = nf90_put_att (cdfid_in, nf90_global, var, cstr)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n var = \"NCOLS\"\n rcode = nf90_put_att (cdfid_in, nf90_global, var, ncols)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n var = \"NROWS\"\n rcode = nf90_put_att (cdfid_in, nf90_global, var, nrows)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n var = \"NLAYS\"\n rcode = nf90_put_att (cdfid_in, nf90_global, var, nlays)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n var = \"NTHIK\"\n rcode = nf90_put_att (cdfid_in, nf90_global, var, nthik)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n var = \"GDTYP\"\n rcode = nf90_put_att (cdfid_in, nf90_global, var, gdtyp_gd)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n var = \"P_ALP\"\n rcode = nf90_put_att (cdfid_in, nf90_global, var, p_alp_gd)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n var = \"P_BET\"\n rcode = nf90_put_att (cdfid_in, nf90_global, var, p_bet_gd)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n var = \"P_GAM\"\n rcode = nf90_put_att (cdfid_in, nf90_global, var, p_gam_gd)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n var = \"XCENT\"\n rcode = nf90_put_att (cdfid_in, nf90_global, var, xcent_gd)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n var = \"YCENT\"\n rcode = nf90_put_att (cdfid_in, nf90_global, var, ycent_gd)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n var = \"XORIG\"\n rcode = nf90_put_att (cdfid_in, nf90_global, var, xorig_gd)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n var = \"YORIG\"\n rcode = nf90_put_att (cdfid_in, nf90_global, var, yorig_gd)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n var = \"XCELL\"\n rcode = nf90_put_att (cdfid_in, nf90_global, var, xcell_gd)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n var = \"YCELL\"\n rcode = nf90_put_att (cdfid_in, nf90_global, var, ycell_gd)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n var = \"VGTYP\"\n rcode = nf90_put_att (cdfid_in, nf90_global, var, vgtyp_gd)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n var = \"VGTOP\"\n rcode = nf90_put_att (cdfid_in, nf90_global, var, vgtop_gd)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n var = \"VGTOP\"\n rcode = nf90_put_att (cdfid_in, nf90_global, var, vgtop_gd)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n var = \"VGLVLS\"\n rcode = nf90_put_att (cdfid_in, nf90_global, var, vglvs_gd(:))\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n var = \"CEN_LAT\"\n rcode = nf90_put_att (cdfid_in, nf90_global, var, met_cen_lat)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n var = \"CEN_LON\"\n rcode = nf90_put_att (cdfid_in, nf90_global, var, met_cen_lon)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n var = \"TRUELAT1\"\n rcode = nf90_put_att (cdfid_in, nf90_global, var, met_tru1)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n var = \"TRUELAT2\"\n rcode = nf90_put_att (cdfid_in, nf90_global, var, met_tru2)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n var = \"MOAD_CEN_LAT\"\n rcode = nf90_put_att (cdfid_in, nf90_global, var, met_proj_clat)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n var = \"MET_REF_LAT\"\n rcode = nf90_put_att (cdfid_in, nf90_global, var, met_ref_lat)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n var = \"STAND_LON\"\n rcode = nf90_put_att (cdfid_in, nf90_global, var, met_proj_clon)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n var = \"DX\"\n rcode = nf90_put_att (cdfid_in, nf90_global, var, met_resoln)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n var = \"DY\"\n rcode = nf90_put_att (cdfid_in, nf90_global, var, met_resoln)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n var = \"PTOP\"\n rcode = nf90_put_att (cdfid_in, nf90_global, var, met_ptop)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n var = \"MET_CUMULUS\" \n rcode = nf90_put_att (cdfid_in, nf90_global, var, met_cumulus)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n var = \"MET_SHAL_CU\"\n rcode = nf90_put_att (cdfid_in, nf90_global, var, met_shal_cu)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n var = \"MET_MICROPHYS\"\n rcode = nf90_put_att (cdfid_in, nf90_global, var, met_expl_moist)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n var = \"MET_LW_RAD\"\n rcode = nf90_put_att (cdfid_in, nf90_global, var, met_lw_rad)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n var = \"MET_SW_RAD\"\n rcode = nf90_put_att (cdfid_in, nf90_global, var, met_sw_rad)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n var = \"MET_PBL\"\n rcode = nf90_put_att (cdfid_in, nf90_global, var, met_pbl)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n var = \"MET_SFC_LAY\"\n rcode = nf90_put_att (cdfid_in, nf90_global, var, met_sfc_lay)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n var = \"MET_LSM\"\n rcode = nf90_put_att (cdfid_in, nf90_global, var, met_soil_lsm)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n var = \"MET_URBAN_PHYS\"\n rcode = nf90_put_att (cdfid_in, nf90_global, var, met_urban_phys)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n var = \"LAND_USE_SOURCE\"\n rcode = nf90_put_att (cdfid_in, nf90_global, var, met_lu_src)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n var = \"MET_FDDA_3DAN\"\n rcode = nf90_put_att (cdfid_in, nf90_global, var, met_fdda_3dan)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n IF ( met_fdda_3dan > 0 ) THEN ! 3d nudging (any variety)\n\n var = \"MET_FDDA_3DAN_WIND\"\n rcode = nf90_put_att (cdfid_in, nf90_global, var, met_fdda_gv3d)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n var = \"MET_FDDA_3DAN_TEMP\"\n rcode = nf90_put_att (cdfid_in, nf90_global, var, met_fdda_gt3d)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n var = \"MET_FDDA_3DAN_MOIS\"\n rcode = nf90_put_att (cdfid_in, nf90_global, var, met_fdda_gq3d)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n IF ( met_fdda_3dan == 2 ) THEN ! spectral nudging only\n var = \"MET_FDDA_3DAN_GEOP\"\n rcode = nf90_put_att (cdfid_in, nf90_global, var, met_fdda_gph3d)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDIF\n\n ENDIF ! 3d nudging\n\n var = \"MET_FDDA_SFAN\"\n rcode = nf90_put_att (cdfid_in, nf90_global, var, met_fdda_sfan)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n IF ( met_fdda_sfan > 0 ) THEN ! surface nudging\n\n var = \"MET_FDDA_SFAN_WIND\"\n rcode = nf90_put_att (cdfid_in, nf90_global, var, met_fdda_gvsfc)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n var = \"MET_FDDA_SFAN_TEMP\"\n rcode = nf90_put_att (cdfid_in, nf90_global, var, met_fdda_gtsfc)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n var = \"MET_FDDA_SFAN_MOIS\"\n rcode = nf90_put_att (cdfid_in, nf90_global, var, met_fdda_gqsfc)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n ENDIF ! surface nudging\n\n var = \"MET_FDDA_OBS\"\n rcode = nf90_put_att (cdfid_in, nf90_global, var, met_fdda_obs)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n IF ( met_fdda_obs > 0 ) THEN ! observation nudging\n\n var = \"MET_FDDA_OBS_WIND\"\n rcode = nf90_put_att (cdfid_in, nf90_global, var, met_fdda_giv)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n var = \"MET_FDDA_OBS_TEMP\"\n rcode = nf90_put_att (cdfid_in, nf90_global, var, met_fdda_git)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n var = \"MET_FDDA_OBS_MOIS\"\n rcode = nf90_put_att (cdfid_in, nf90_global, var, met_fdda_giq)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n ENDIF ! surface nudging\n\n var = \"MET_HYBRID\"\n rcode = nf90_put_att (cdfid_in, nf90_global, var, met_hybrid)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n var = \"EARTH_RADIUS\"\n rcode = nf90_put_att (cdfid_in, nf90_global, var, eradm)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (6,f9300) TRIM(pname), TRIM(var), TRIM(fl), &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\nEND SUBROUTINE outncfglobal\n" }, { "path": "PREP/mcip/src/pblsup.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nSUBROUTINE pblsup\n\n!-------------------------------------------------------------------------------\n! Name: PBL Supplement\n! Purpose: Computes 2-D parameters needed for CMAQ but not provided by\n! the meteorology model (i.e., XWSTAR, XTEMP10, XTEMP1P5, XWIND10,\n! and XALBEDO).\n! Revised: 07 May 1998 Original version. (J. Pleim)\n! 20 Sep 2001 Converted to free-form f90 and integrated into MCIP\n! for general distribution. (T. Otte and J. Pleim)\n! 23 Jan 2002 Changed missing value on XMOL to BADVAL3. (T. Otte)\n! 27 Feb 2002 Renamed XSURF1 as XTEMP1P5 and XSURF2 as XWIND10.\n! (T. Otte)\n! 18 Mar 2003 Enabled last row and column of XUU and XVV to be\n! used in calculation of UNS and VNS. (T. Otte)\n! 04 Aug 2004 Added provision to set minimum PBL heights when\n! Mellor-Yamada (Eta) PBL scheme is used. Changed local\n! array allocation to occur only on initial call to\n! subroutine to avoid memory fragmentation. Removed\n! XFLAGS. Limited calculation of wind speed for initial\n! time to the cross-point domain. Removed unused\n! variable, RA, from calling argument list to SFCLAYER.\n! Changed WIND10 to WSPD10. (T. Otte)\n! 14 Apr 2005 Added changes for WRF. Changed wind speed calculation\n! to use wind components native to input meteorology\n! model. Added capability to use input 10-m wind\n! components (rather than diagnosed) to calculate 10-m\n! wind speed and direction. Removed unnecessary 1-D\n! arrays. Corrected theta-v-star (TSTV) calculation.\n! (T. Otte)\n! 21 Jul 2005 Added provision to alternatively use XPBL to check for\n! meteorology model initialization time. (T. Otte)\n! 19 Aug 2005 Rearranged K loops on calculation of winds to avoid\n! segmentation fault on Linux PGF90v5 compilers at\n! optimization of O2 and higher. (T. Otte)\n! 31 Jul 2007 Modified calculation of XWSTAR to remove dependency\n! on function CVMGP. Removed calculation of fractional\n! USTAR for RADMdry. Changed USTAR to a 2D array\n! without a dimension for fractional land use that was\n! required for RADMdry. Removed 1.5-m and 10-m\n! temperature calculations. Compute 2-m temperature if\n! it is unavailable in input meteorology. Removed\n! logical variable \"PX\" and introduced new logicals for\n! specific fields. Added call to RESISTCALC. Simplified\n! calculation of QL1. (T. Otte)\n! 29 Oct 2009 Changed real number comparisons from \"equivalences\" to\n! \"less than tolerances\". (T. Otte)\n! 12 Feb 2010 Removed unused variable ILU. Removed roughness length\n! from argument list for subroutine SFCLAYER, and\n! removed ZRUF from this routine. (T. Otte)\n! 11 Aug 2011 Replaced module PARMS3 with I/O API module M3UTILIO.\n! (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n! 03 Nov 2011 Added provision for calculating Monin-Obukhov length\n! when the sensible heat flux is 0. (T. Otte)\n! 24 Aug 2015 Changed latent heat flux from QFX to LH. Added\n! calculation of Monin-Obukhov length for WRF/ACM2 so\n! \"corrector\" part of predictor-corrector equation is\n! used here; MOL output by WRF for ACM2 is \"predictor\"\n! step. MOL issue in WRF-CMAQ identified by H. Foroutan.\n! Changed exponent in WSTAR calculation to remove the 7th\n! decimal place to be consistent with the ACM2 use of\n! that exponent in WRF. Eliminated local variable UST.\n! Changed Rd and Cp in calculation of CPAIR to match\n! value used by WRF (from 1004.67 to 1004.5); note that\n! both values differ from CPD used by CMAQ (in CONST.EXT)\n! and given in MCIP's const_mod.f90. (T. Spero)\n! 17 Sep 2015 Changed IFMOLACM to IFMOLPX. (T. Spero)\n! 01 Mar 2017 Corrected the reference longitude for the wind\n! direction calculation for both MM5 and WRF. (T. Spero)\n! 16 Mar 2018 Corrected comment that attributed Monin-Obukhov length\n! to ACM2 rather than Pleim-Xiu LSM. Added calculation\n! of mosaic aerodynamic resistance following method\n! suggested by P. Campbell, and ensuring protection for\n! resistances over water cells. (T. Spero)\n! 26 Jun 2018 Now use netCDF tokens for missing data. (T. Spero)\n! 14 Sep 2018 Removed support for MM5v3 input. (T. Spero)\n!-------------------------------------------------------------------------------\n\n USE mcipparm\n USE xvars\n USE const\n USE const_pbl\n USE metinfo\n\n IMPLICIT NONE\n\n REAL, PARAMETER :: amolmini = 1.0 / amolmin\n INTEGER :: c\n INTEGER :: cp1\n REAL :: cpair\n REAL, PARAMETER :: ep1 = 0.608\n REAL :: hfx\n INTEGER :: k\n REAL :: lv\n REAL :: p2\n REAL :: psih\n REAL :: ql1\n REAL :: qst\n INTEGER :: r\n INTEGER :: rp1\n REAL, PARAMETER :: smallnum = 1.0e-7\n REAL :: thv1\n REAL :: tmpvtcon\n REAL :: theta1\n REAL :: theta2\n REAL :: thetav1\n REAL :: tst\n REAL :: tstv\n REAL :: u2\n REAL, SAVE, ALLOCATABLE :: ul ( : )\n REAL :: ulev1\n REAL :: uns\n REAL :: ustmos\n REAL :: vlev1\n REAL :: vns\n REAL :: wvflx\n REAL :: ztemp\n\n INTERFACE\n\n SUBROUTINE getpblht (c, r, wspd)\n IMPLICIT NONE\n INTEGER, INTENT(IN) :: c\n INTEGER, INTENT(IN) :: r\n REAL, INTENT(IN) :: wspd ( : )\n END SUBROUTINE getpblht\n\n END INTERFACE\n\n!-------------------------------------------------------------------------------\n! For the time period that corresponds to a meteorology model initialization\n! time, many PBL variables are not defined. At the initialization time for the\n! meteorology model, the XUSTAR array may contain all 0.0 values or the XPBL\n! array may contain all 0.0 values. In either case, set place-holder values for\n! variables that would otherwise be calculated in this routine.\n!-------------------------------------------------------------------------------\n\n IF ( ( ABS(MAXVAL(xustar)) < smallnum ) .OR. &\n ( ABS(MAXVAL(xpbl)) < smallnum ) ) THEN ! assume initialization period\n\n xwstar (:,:) = 0.0\n xmol (:,:) = fillreal ! inverse taken in metcro.F\n\n ! Compute 10-m wind speed and direction on scalar points.\n\n IF ( met_model == 2 ) THEN ! WRF: use native flux-point winds\n\n DO c = 1, ncols_x\n cp1 = c + 1\n DO r = 1, nrows_x\n rp1 = r + 1\n uns = 0.5 * ( xuu_s(c,r,1) + xuu_s(cp1,r,1) )\n vns = 0.5 * ( xvv_t(c,r,1) + xvv_t(c,rp1,1) )\n xwspd10(c,r) = SQRT((uns * uns) + (vns * vns))\n CALL wind (uns, vns, xwspd10(c,r), xwdir10(c,r), &\n xlonc(c,r), met_proj_clon, met_cone_fac)\n ENDDO\n ENDDO\n\n ENDIF\n\n ELSE\n\n!-------------------------------------------------------------------------------\n! Allocate necessary variables.\n!-------------------------------------------------------------------------------\n\n IF ( .NOT. ALLOCATED ( ul ) ) ALLOCATE ( ul (metlay) )\n\n!-------------------------------------------------------------------------------\n! Compute additional variables.\n!-------------------------------------------------------------------------------\n\n DO c = 1, ncols_x\n cp1 = c + 1\n\n DO r = 1, nrows_x\n rp1 = r + 1\n\n ! Compute wind speed profile on scalar points.\n\n IF ( met_model == 2 ) THEN ! WRF: use native flux-point winds\n\n DO k = 1, metlay\n\n uns = 0.5 * ( xuu_s(c,r,k) + xuu_s(cp1,r,k) )\n vns = 0.5 * ( xvv_t(c,r,k) + xvv_t(c,rp1,k) )\n\n ul(k) = MAX( 0.5, SQRT( (uns * uns) + (vns * vns) ) )\n\n IF ( k == 1 ) THEN\n IF ( ifw10m ) THEN\n ulev1 = xu10(c,r) ! 10-m wind components already on scalar pts\n vlev1 = xv10(c,r)\n ELSE\n ulev1 = uns\n vlev1 = vns\n ENDIF\n ENDIF\n\n ENDDO\n\n ENDIF\n\n ! Estimate near-surface variables.\n\n ql1 = xwvapor(c,r,1)\n cpair = cp * (1.0 + 0.84 * ql1) ! [J / kg K]\n hfx = -xhfx(c,r) / (xdensam(c,r,1) * cpair)\n theta1 = xtempm(c,r,1) * (100000.0/xpresm(c,r,1))**0.286\n\n ! Calculate Monin-Obukhov length if unavailable in input meteorology,\n ! except if missing from WRF/P-X simulation...which is done, below.\n\n IF ( .NOT. ifmol .AND. .NOT. ifmolpx ) THEN\n thetav1 = theta1 * (1.0 + ep1 * ql1) \n lv = lv0 - dlvdt * (xtempg(c,r) - stdtemp) \n wvflx = xlh(c,r) / lv\n tstv = ( hfx * (1.0 + ep1 * ql1) + &\n (ep1 * theta1 * wvflx)/xdensam(c,r,1) ) / xustar(c,r)\n IF ( ABS(tstv) > 0.000001 ) THEN\n xmol(c,r) = thetav1 * xustar(c,r) * xustar(c,r) / &\n (vkar * grav * tstv)\n ELSE\n xmol(c,r) = 1.0e7 ! small number for inverse MOL when HFX = 0.0\n ENDIF\n ENDIF\n\n ! Recalculate Monin-Obukhov length when ACM2 PBL is used in WRF.\n ! MOL output by WRF is the \"predictor\" from the predictor-corrector\n ! equation. Recalculation here uses algorithms and constants from\n ! WRF phys/module_bl_acm.f90 and share/module_model_constants.f90\n ! as of WRFv3.7.\n\n IF ( ifmolpx ) THEN\n tmpvtcon = 1.0 + ep_1 * ql1\n tst = hfx / xustar(c,r)\n qst = -xqfx(c,r) / (xustar(c,r) * xdensam(c,r,1))\n thv1 = tmpvtcon * xtheta(c,r,1)\n tstv = tst*tmpvtcon + thv1*ep_1*qst\n IF ( ABS(tstv) < 1.0e-6 ) THEN\n tstv = SIGN( 1.0e-6, tstv )\n ENDIF\n xmol(c,r) = thv1 * xustar(c,r) * xustar(c,r) / (vkar * grav * tstv)\n ENDIF\n\n ! Limit MOL.\n ! (Note that this is not part of ACM2 in WRF, but per J. Pleim,\n ! we will apply it for all MOL coming out of MCIP. TLS 24 Aug 2015)\n\n xmol(c,r) = SIGN( MAX(ABS(xmol(c,r)), amolmini), xmol(c,r) )\n\n ! Need to specify PBL height for schemes in WRF when it is input\n ! as lower than the height of the lowest mid-layer.\n\n IF ( xpbl(c,r) <= x3htm(c,r,1) ) THEN\n CALL getpblht (c, r, ul)\n ENDIF\n\n ! Calculate near-surface temperature and wind. If 10-m wind components\n ! are not provided in met model file, then 10-m wind speed will be\n ! calculated using similarity theory in sfclayer, and 10-m wind\n ! direction is calculated from layer-1 wind components (i.e., no\n ! directional shear assumed between layer-1 and surface).\n\n CALL wind (ulev1, vlev1, xwspd10(c,r), xwdir10(c,r), &\n xlonc(c,r), met_proj_clon, met_cone_fac)\n\n IF ( .NOT. ifw10m ) THEN\n ztemp = 10.0 ! [m]\n CALL sfclayer (theta1, theta2, ul(1), u2, x3htm(c,r,1), ztemp, &\n hfx, xustar(c,r), xmol(c,r))\n xwspd10(c,r) = u2\n ENDIF\n\n IF ( .NOT. ift2m ) THEN\n ztemp = 2.0 ! [m]\n p2 = xpresm(c,r,1) + grav * xdensam(c,r,1) * (x3htm(c,r,1) - ztemp)\n\n CALL sfclayer (theta1, theta2, ul(1), u2, x3htm(c,r,1), ztemp, &\n hfx, xustar(c,r), xmol(c,r))\n\n xtemp2(c,r) = theta2 * (p2 / 100000.0)**0.286\n ENDIF\n\n ! Compute W-star.\n\n IF ( xmol(c,r) < 0.0 ) THEN\n xwstar(c,r) = xustar(c,r) * ( xpbl(c,r) / & \n ( vkar * ABS( xmol(c,r) ) ) )**0.333333\n ELSE\n xwstar(c,r) = 0.0\n ENDIF\n\n ENDDO\n ENDDO\n\n!-------------------------------------------------------------------------------\n! Dellocate variables.\n!-------------------------------------------------------------------------------\n\n! DEALLOCATE ( ul ) ! commented out to avoid memory fragmentation\n\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Compute aerodynamic and stomatal resistances if they are not in input\n! meteorology.\n!-------------------------------------------------------------------------------\n\n IF ( .NOT. ifresist ) THEN\n CALL resistcalc\n ENDIF\n\n!-------------------------------------------------------------------------------\n! If NOAH Mosaic was used in WRF and the necessary variables were available in\n! WRF output, compute aerodynamic resistance in each mosaic land use category.\n! Method below was suggested by P. Campbell and is consistent with STAGE\n! deposition in CMAQv5.3+.\n!-------------------------------------------------------------------------------\n\n IF ( ifmosaic ) THEN\n\n DO c = 1, ncols_x\n DO r = 1, nrows_x\n\n IF ( ( NINT(xlwmask(c,r)) == 0 ) .OR. &\n ( NINT(xdluse(c,r)) == met_lu_ice ) ) THEN ! water or ice\n\n xrs_mos(c,r,:) = fillreal ! inverse taken in moscro.f90, will be 0.0\n xra_mos(c,r,:) = fillreal ! inverse taken in moscro.f90, will be 0.0\n\n ELSE\n\n DO k = 1, nummosaic\n ustmos = xustar(c,r) * SQRT( LOG(x3htm(c,r,1) / xzruf(c,r)) / &\n LOG(x3htm(c,r,1) / xznt_mos(c,r,k)) )\n\n CALL getpsih (x3htm(c,r,1), xznt_mos(c,r,k), ustmos, xmol(c,r), &\n psih)\n\n xra_mos(c,r,k) = pro * (LOG(x3htm(c,r,1)/xznt_mos(c,r,k))-psih) / &\n (vkar * ustmos)\n ENDDO\n\n ENDIF\n\n ENDDO\n ENDDO\n\n ENDIF\n\nEND SUBROUTINE pblsup\n" }, { "path": "PREP/mcip/src/ptemp.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nFUNCTION ptemp (temp, press)\n\n!-------------------------------------------------------------------------------\n! Name: Potential Temperature\n! Purpose: Returns potential temperature [K] as a function of temperature [K]\n! and pressure [Pa] using Poisson's equation.\n! Revised: ?? ??? ???? Original version as a statement function in MCIP\n! routine getpblht.f90.\n! 23 Feb 2011 Converted to independent routine. (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n!-------------------------------------------------------------------------------\n\n IMPLICIT NONE\n\n REAL, INTENT(IN) :: press ! pressure [Pa]\n REAL :: ptemp ! virtual temperature [K]\n REAL, PARAMETER :: rdovcp = 2.0 / 7.0 ! Rd / cP\n REAL, INTENT(IN) :: temp ! temperature [K]\n\n ptemp = temp * ( 100000.0 / press )**rdovcp\n\nEND FUNCTION ptemp\n" }, { "path": "PREP/mcip/src/pvs.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nSUBROUTINE pvs\n\n!-------------------------------------------------------------------------------\n! Name: Potential Vorticity on Sigma\n! Purpose: Compute potential vorticity on sigma surfaces from Ertel's form.\n! Notes: Formalism based on Ebel et al., \"Simulation of ozone intrusion\n! caused by tropopause fold and cut-off low, Atmos. Environ.,\n! Part A, 25, 2131-2144.\n! Revised: ?? ??? 1999 Original version. (S. McKeen)\n! ?? ??? 2007 Adapted for use in air quality forecasting model.\n! (H.-M. Lin and R. Mathur)\n! 17 Sep 2009 Adapted for MCIP by changing array indexing and using\n! arrays available in MCIP. (T. Otte)\n! 07 Sep 2011 Updated disclaimer. Changed SCALE to SCALEF to avoid\n! conflict with F90 intrinsic. (T. Otte)\n!-------------------------------------------------------------------------------\n\n USE coord\n USE mcipparm\n USE xvars\n\n IMPLICIT NONE\n\n INTEGER :: c\n INTEGER :: cp1\n REAL :: dsx\n REAL :: dsy\n REAL, SAVE, ALLOCATABLE :: dtds ( : , : )\n REAL, SAVE, ALLOCATABLE :: dtdx ( : , : )\n REAL, SAVE, ALLOCATABLE :: dtdy ( : , : )\n REAL, SAVE, ALLOCATABLE :: duds ( : , : )\n REAL, SAVE, ALLOCATABLE :: dvds ( : , : )\n REAL :: dx\n REAL :: dy\n REAL :: f0\n REAL :: f1\n REAL :: f2\n INTEGER :: k\n INTEGER :: k0\n INTEGER :: k1\n INTEGER :: k2\n INTEGER :: r\n INTEGER :: rp1\n REAL, PARAMETER :: scalef = -1.0e6\n REAL, SAVE, ALLOCATABLE :: sigma ( : )\n REAL :: t00\n REAL :: t1\n REAL :: t2\n REAL :: t3\n REAL :: vor\n\n!-------------------------------------------------------------------------------\n! Define variables for interaction.\n!-------------------------------------------------------------------------------\n\n dx = REAL(xcell_gd)\n dy = REAL(ycell_gd)\n\n dsx = 2.0 * dx\n dsy = 2.0 * dy\n\n!-------------------------------------------------------------------------------\n! Allocate necessary variables.\n!-------------------------------------------------------------------------------\n\n IF ( .NOT. ALLOCATED ( duds ) ) ALLOCATE ( duds ( ncols_x, nrows_x ) )\n IF ( .NOT. ALLOCATED ( dvds ) ) ALLOCATE ( dvds ( ncols_x, nrows_x ) )\n IF ( .NOT. ALLOCATED ( dtdx ) ) ALLOCATE ( dtdx ( ncols_x, nrows_x ) )\n IF ( .NOT. ALLOCATED ( dtdy ) ) ALLOCATE ( dtdy ( ncols_x, nrows_x ) )\n IF ( .NOT. ALLOCATED ( dtds ) ) ALLOCATE ( dtds ( ncols_x, nrows_x ) )\n\n IF ( .NOT. ALLOCATED ( sigma ) ) ALLOCATE ( sigma ( metlay ) )\n\n!-------------------------------------------------------------------------------\n! Transfer monotonically increased X3 to monotonically decreased SIGMA.\n! This form allows subroutine to remain general for hybrid vertical coordinates.\n!-------------------------------------------------------------------------------\n\n DO k = 1, metlay\n sigma(k) = 1.0 - xx3midl(k)\n ENDDO\n\n!-------------------------------------------------------------------------------\n! Compute vertical gradients using 2nd order polynomials at all levels.\n! Gradients obtained at model sigma levels, \n! not at sigma=.5*(sigma(K+1)+sigma(K-1))\n!-------------------------------------------------------------------------------\n\n kloop: DO k = 1, metlay\n\n IF ( k == 1 ) THEN\n\n k0 = k\n k1 = k + 1\n k2 = k + 2\n\n f0 = -1.0 / (sigma(k1) - sigma(k0)) - 1.0 / (sigma(k2) - sigma(k0))\n f1 = 1.0 / (sigma(k1) - sigma(k0)) + 1.0 / (sigma(k2) - sigma(k1))\n f2 = -1.0 * ( (sigma(k1) - sigma(k0)) / &\n ( (sigma(k2) - sigma(k0)) * (sigma(k2) - sigma(k1)) ) )\n\n ELSE IF ( k == metlay ) THEN\n\n k0 = k - 2\n k1 = k - 1\n k2 = k\n\n f0 = (sigma(k2) - sigma(k1)) / &\n ( (sigma(k2) - sigma(k0)) * (sigma(k1) - sigma(k0)) )\n f1 = -1.0 / (sigma(k1) - sigma(k0)) - 1.0 / (sigma(k2) - sigma(k1))\n f2 = 1.0 / (sigma(k2) - sigma(k0)) + 1.0 / (sigma(k2) - sigma(k1))\n\n ELSE\n\n k0 = k - 1\n k1 = k\n k2 = k + 1\n\n f0 = -1.0 * (sigma(k2) - sigma(k1)) / &\n ( (sigma(k1) - sigma(k0)) * (sigma(k2) - sigma(k0)) )\n f1 = 1.0 / (sigma(k1) - sigma(k0)) - 1.0 / (sigma(k2) - sigma(k1))\n f2 = (sigma(k1) - sigma(k0)) / &\n ( (sigma(k2) - sigma(k1)) * (sigma(k2) - sigma(k0)) )\n\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Compute vertical derivatives: dU/ds, dV/ds, dTHETA/ds.\n!-------------------------------------------------------------------------------\n\n DO r = 1, nrows_x\n rp1 = r + 1\n\n DO c = 1, ncols_x\n cp1 = c + 1\n\n duds(c,r) = 0.5 * ( f0 * ( xuu_s(cp1,r ,k0) + xuu_s(c,r,k0) ) + &\n f1 * ( xuu_s(cp1,r ,k1) + xuu_s(c,r,k1) ) + &\n f2 * ( xuu_s(cp1,r ,k2) + xuu_s(c,r,k2) ) )\n\n dvds(c,r) = 0.5 * ( f0 * ( xvv_t(c ,rp1,k0) + xvv_t(c,r,k0) ) + &\n f1 * ( xvv_t(c ,rp1,k1) + xvv_t(c,r,k1) ) + &\n f2 * ( xvv_t(c ,rp1,k2) + xvv_t(c,r,k2) ) )\n\n ENDDO\n ENDDO\n\n DO r = 1, nrows_x\n DO c = 1, ncols_x\n\n t00 = xtheta(c,r,k0)\n t1 = xtheta(c,r,k1)\n t2 = xtheta(c,r,k2)\n\n dtds(c,r) = f0*t00 + f1*t1 + f2*t2\n\n ENDDO\n ENDDO\n\n!-------------------------------------------------------------------------------\n! Compute horizontal derivatives: dTHETA/dx, dTHETA/dy.\n!\n! 6/8/99, Horizontal gradients also calculated by 2nd order polynomials\n! at all levels. In particular, this modifies orig code so PV at side\n! boundaries are not biased low.\n!-------------------------------------------------------------------------------\n\n DO r = 1, nrows_x\n\n DO c = 2, ncols_x-1\n t1 = xtheta(c-1,r,k) / xmapc(c-1,r)\n t2 = xtheta(c+1,r,k) / xmapc(c+1,r)\n dtdx(c,r) = xmapc2(c,r) * (t2-t1) / dsx\n ENDDO\n\n t1 = xtheta(1,r,k) / xmapc(1,r)\n t2 = xtheta(2,r,k) / xmapc(2,r)\n t3 = xtheta(3,r,k) / xmapc(3,r)\n dtdx(1,r) = xmapc2(1,r) * (-1.5*t1 + 2.0*t2 - 0.5*t3) / dx\n\n t00 = xtheta(ncols_x-2,r,k) / xmapc(ncols_x-2,r)\n t1 = xtheta(ncols_x-1,r,k) / xmapc(ncols_x-1,r)\n t2 = xtheta(ncols_x, r,k) / xmapc(ncols_x, r)\n dtdx(ncols_x,r) = xmapc2(ncols_x,r) * (0.5*t00 - 2.0*t1 + 1.5*t2) / dx\n\n ENDDO\n\n DO c = 1, ncols_x\n\n DO r = 2, nrows_x-1\n t1 = xtheta(c,r-1,k) / xmapc(c,r-1)\n t2 = xtheta(c,r+1,k) / xmapc(c,r+1)\n dtdy(c,r) = xmapc2(c,r) * (t2-t1) / dsy\n ENDDO\n\n t1 = xtheta(c,1,k) / xmapc(c,1)\n t2 = xtheta(c,2,k) / xmapc(c,2)\n t3 = xtheta(c,3,k) / xmapc(c,3)\n dtdy(c,1) = xmapc2(c,1) * (-1.5*t1 + 2.0*t2 - 0.5*t3) / dy\n\n t00 = xtheta(c,nrows_x-2,k) / xmapc(c,nrows_x-2)\n t1 = xtheta(c,nrows_x-1,k) / xmapc(c,nrows_x-1)\n t2 = xtheta(c,nrows_x, k) / xmapc(c,nrows_x)\n dtdy(c,nrows_x) = xmapc2(c,nrows_x) * (0.5*t00 - 2.0*t1 + 1.5*t2) / dy\n\n ENDDO\n\n!-------------------------------------------------------------------------------\n! Compute slab absolute vorticity, and store potential vorticity in XPVC.\n!\n! 1. Because we use X3 instead of SIGMA in equation,\n! GRAV/PSB is replaced by 1.0/XRHOJM (density * Jacobian).\n!\n! 2. As a shortcut, 1.0/XRHOJM is not included in XPVC here;\n! it will be included in subroutine METCRO before PV is output.\n!-------------------------------------------------------------------------------\n\n DO r = 1, nrows_x\n rp1 = r + 1\n\n DO c = 1, ncols_x\n cp1 = c + 1\n\n vor = xmapc2(c,r) * ((xvv_d(cp1,r, k) + xvv_d(cp1,rp1,k) - &\n xvv_d(c, r, k) - xvv_d(c, rp1,k)) / dsx - &\n (xuu_d(c, rp1,k) + xuu_d(cp1,rp1,k) - &\n xuu_d(c, r, k) - xuu_d(cp1,r, k)) / dsy) + &\n xcorl(c,r)\n\n xpvc(c,r,k) = scalef * ( vor * dtds(c,r) &\n - dvds(c,r) * dtdx(c,r) &\n + duds(c,r) * dtdy(c,r) )\n\n ENDDO\n ENDDO\n\n ENDDO kloop\n\nEND SUBROUTINE pvs\n" }, { "path": "PREP/mcip/src/qsat.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nFUNCTION qsat (esat, pres)\n\n!-------------------------------------------------------------------------------\n! Name: Saturation Mixing Ratio\n! Purpose: Returns saturation mixing ratio as a function of saturation vapor\n! pressure and pressure [Pa].\n! Revised: ?? ??? ???? Original version as a statement function in MCIP\n! routine bcldprc_ak.f90.\n! 23 Feb 2011 Converted to independent routine. (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n!-------------------------------------------------------------------------------\n\n USE const\n\n IMPLICIT NONE\n\n REAL, INTENT(IN) :: esat ! saturation vapor pressure [Pa]\n REAL, PARAMETER :: mvoma = mwwat / mwair ! 0.622015\n REAL, INTENT(IN) :: pres ! pressure [Pa]\n REAL :: qsat ! saturation mixing ratio\n\n qsat = esat * mvoma / ( pres - esat )\n\nEND FUNCTION qsat\n" }, { "path": "PREP/mcip/src/rdwrfem.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nSUBROUTINE rdwrfem (mcip_now)\n\n!-------------------------------------------------------------------------------\n! Name: Read WRFv2 and WRFv3 (Eulerian Mass Core) Output\n! Purpose: Reads incoming WRFv2 and WRFv3 output files for use in MCIP.\n! Notes: Adapted from S.-B. Kim's get_wrf.F in WCIP.\n! Revised: 31 Mar 2005 Original version. (T. Otte)\n! 15 Jul 2005 Modified variable retrievals so that the code will\n! stop if a variable is not found. Corrected print\n! statement for sample output. (T. Otte)\n! 30 Jul 2007 Corrected error in processing incremental precipitation\n! for first MCIP output time period when the first WRF\n! WRF output time is not used by MCIP. Added reads for\n! fractional land use, leaf area index, aerodynamic and\n! stomatal resistances, inverse Monin-Obukhov length, and\n! soil moisture, temperature, and type, if those fields\n! are available. Removed read for emissivity. Allowed\n! for roughness length to be filled from a lookup table\n! if it is not available in WRF output. (T. Otte)\n! 14 May 2008 Read TSLB (layer 1) if TSK is unavailable. Change\n! static data tables for roughness length to allow for\n! up to 33 categories of USGS, and added error-checking\n! when ZNT is set from the lookup table. Corrected\n! season assignment for lookup table for the Southern\n! Hemisphere. Check LAI, RA, and RSTOM to ensure that\n! there are non-zero values in the fields, if they\n! exist. If the values of RA and/or RSTOM are all 0.0,\n! reset IFRESIST flag so that they will be calculated\n! later. If LAI is in output but is 0.0, set LAI to\n! realistic values for NOAH LSM. Added 2-m mixing ratio\n! (Q2) and turbulent kinetic energy (TKE), if available.\n! Changed read on vegetation fraction to preferentially\n! use VEGF_PX rather than VEGFRA for Pleim-Xiu land-\n! surface model. Changed algorithm to find \"valid\"\n! data to require time difference to be < TTOL rather\n! than <= TTOL. Added urban fraction (FRC_URB),\n! urban roughness length (Z0C_URB2D), and urban Monin-\n! Obukhov length (XXXC_URB) for MET_UCMCALL=1. Added\n! error checking to ensure that WRF files used in this\n! MCIP run are from the same simulation so that\n! incremental precipitation totals in RN and RC are\n! processed correctly. (T. Otte)\n! 29 Oct 2009 Cleaned up file opening and logging for WRF I/O API,\n! particularly when the WRF headers of new files are\n! checked, to prevent condition with too many files open\n! for long simulations. Changed MET_UCMCALL to\n! MET_URBAN_PHYS, and allowed for variable to be set to\n! be greater than 1. Capture potential temperature\n! (THETA) and Coriolis (CORIOLIS) when potential\n! vorticity is needed. Changed method of computing\n! latitude, longitude, and map-scale factor arrays to\n! be more general; removed subroutine GRIDGEOMETRY.\n! Added default roughness length values for NCLD-MODIS,\n! SiB, and MODIS-NOAH. Increased MAX_TIMES to 1000 to\n! enable processing of longer data sets. Removed\n! DUM2D_D. Added latitude, longitude, and map-scale\n! factors on U and V faces. Allow output from WRF\n! Preprocessing System (WPS) routine, GEOGRID, to\n! provide fractional land use output if it is unavailable\n! in WRF output. Removed Z0C_URB2D. Corrected units\n! for U10 and V10 in log file. Changed error condition\n! to warning condition if LAI is set to zero on input\n! and LSM other than NOAH was used. Changed reads of\n! fractional land use and roughness length so that they\n! are only performed if those fields are known to exist.\n! Changed real-number comparisons of maximum values from\n! \"equivalences\" to \"less than tolerances\". (T. Otte)\n! 12 Feb 2010 Removed unused variables COMM and SYSDEP_INFO, and\n! removed unused format 9600. (T. Otte)\n! 18 Mar 2010 Added CDFID as an input argument for subroutine\n! CHKWRFHDR. Changed all calls to netCDF routines to use\n! the Fortran interface rather than the C interface.\n! Changed input arguments for routines in WRF_NETCDF\n! from FILENAME to CDFID to minimize I/O. (T. Otte)\n! 23 Dec 2010 Improved support for long MCIP runs from long WRF\n! runs by increasing MAX_TIMES to 9999. Also added\n! missing \"close\" command for incoming WRF files.\n! Added sea ice. Added support for precipitation\n! tipping bucket option in WRF. Changed latitude and\n! longitude calculations for polar stereograhic\n! projection to interpolations. (T. Otte)\n! 31 Aug 2011 Changed name of module FILE to FILES to avoid conflict\n! with F90 protected intrinsic. Updated netCDF commands\n! to F90, and improved error handling. Replaced calls\n! to GET_TIMES_CDF with explicit netCDF functions.\n! Changed F77 character declarations to F90 standard.\n! Changed DATA statements to parameters. Changed\n! arguments to 19-character elements for GETH_IDTS.\n! (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n! 21 Nov 2011 Corrected error in tipping bucket precipitation\n! calculation. (T. Otte)\n! 21 Aug 2012 Added MET_PCP_INCR to accommodate WRFv3.3 option to\n! output incremental precipitation. (T. Otte)\n! 11 Sep 2012 Added handling for 40-category 2006 NLCD-MODIS land\n! use classification as \"NLCD40\". Added alternate name\n! for 50-category 2001 NLCD-MODIS land use classification\n! as \"NLCD50\". Changed SFZ0NLCSUM and SFZ0NLCWIN to\n! SFZ0NLCD50SUM and SFZ0NLCD50WIN. Added analogous\n! arrays for NLCD40. Updated values for roughness length\n! for both NLCD-MODIS classifications using tables from\n! WRFv3.4 module_sf_pxlsm_data.F. Added read of array\n! LANDMASK to be used with runs that used Pleim-Xiu LSM.\n! (T. Otte)\n! 26 Nov 2014 Corrected formatting error in error-handling F9400,\n! and corrected four locations of this routine that now\n! reference F9400 incorrectly. Removed requirement to\n! have FRC_URB available when urban canopy model is used\n! in WRF. (T. Spero)\n! 10 Apr 2015 If 3D resolved cloud fraction is in the WRF output,\n! collect that field to pass through to output.\n! (T. Spero)\n! 25 Aug 2015 Changed latent heat flux from QFX to LH. Fill THETA\n! and moisture flux (QFX) for IFMOLACM. If Pleim-Xiu\n! land-surface model is used, realign soil categories\n! to be consistent with WRF documentation. (T. Spero)\n! 08 Sep 2015 Commented out realignment of soil categories for\n! Pleim-Xiu land-surface model because CMAQ cannot\n! handle this yet. (T. Spero)\n! 17 Sep 2015 Changed IFMOLACM to IFMOLPX. (T. Spero)\n! 30 Oct 2015 Changed WRITE statements for printing sampled data to\n! log file to eliminate warning messages. (T. Spero)\n! 22 Nov 2016 Changed urban model variable FRC_URB to FRC_URB2D to\n! be consistent with its use in WRF. (T. Spero)\n! 21 Apr 2017 Updated SFZ0 for MODIS so that category 21 is \"Lake\".\n! (T. Spero)\n! 16 Mar 2018 Corrected the settings for II and JJ in the loop for\n! calculating dot-point latitude and longitude for polar\n! stereographic WRF projections. Moved TTOL to\n! MCIPPARM_MOD, and changed its local name to TTOL_SEC.\n! Corrected error in print statement for WRF variable\n! CLDFRA. Added SNOWH to output. Created a minimum\n! value for rainfall in order to avoid underflow\n! condition. Corrected minor error in array mapping in\n! rain buckets in unused column and row. Added\n! LUFRAC2, MOSCATIDX, LAI_MOS, RA_MOS, RS_MOS, TSK_MOS,\n! ZNT_MOS, and DUM3D_M to support NOAH Mosaic land-\n! surface model. Added DZS to capture soil layers, and\n! added 3D soil arrays, SOIT3D and SOIM3D. Added\n! WSPDSFC and XLAIDYN for Noah. (T. Spero)\n! 27 Jun 2018 Changed name of module with netCDF IO to broaden its\n! usage. Removed local aliases for dimensions of input\n! meteorological fields. (T. Spero)\n! 14 Sep 2018 Changed condition to enable hybrid vertical coordinate\n! from WRF. Removed support for MM5v3 input. (T. Spero)\n! 16 Oct 2018 Corrected error in computing precipitation amounts when\n! the tipping bucket is used and less than 0.5 mm of\n! precipitation accumulated during the same hour that the\n! bucket tips; corrects erroneous precipitation spikes.\n! Corrected error in array mapping for precipitation on\n! initial time step in the outermost row and column\n! (dummy cells not used by CMAQ).\n! (C. Nolte and T. Spero)\n! 23 Nov 2018 Changed local usages of NX, NY, and NZ to MET_NX,\n! MET_NY, and MET_NZ to avoid confusion with generic\n! usages of those variables for global dimensions in\n! netCDF output. (T. Spero)\n! 18 Jun 2019 Added new surface variables with PX LSM that can\n! improve dust simulation in CCTM. Added optional\n! variables from KF convective scheme with radiative\n! feedbacks. (T. Spero)\n! 06 Mar 2020 Removed need to read \"F\" (Coriolis parameter) from WRF\n! output for potential vorticity scaling. Instead,\n! calculate F inside this routine (called \"CORIOLIS\"\n! here) from latitude. Value of angular momentum of\n! earth (omega in new variable TWOOMEGA) is from WRF\n! variable \"EOMEG\" in WRF routine:\n! share/module_model_constants.f90. (T. Spero)\n! 17 Jun 2021 Modified most recent change that calculates Coriolis\n! parameter so that it does not rely on a non-standard\n! Fortran intrinsic (SIND), which is only available\n! for select compilers. (T. Spero)\n! 13 Dec 2023 Removed redundant NF90_OPEN/NF90_CLOSE couplet to\n! improve efficiency and memory management. (T. Spero)\n!-------------------------------------------------------------------------------\n\n USE date_pack\n USE files\n USE metinfo\n USE metvars\n USE mcipparm\n USE netcdf_io\n USE netcdf\n\n IMPLICIT NONE\n\n INTEGER, SAVE :: cdfid\n INTEGER :: cdfidg\n REAL :: deg2rad\n INTEGER :: dimids ( nf90_max_var_dims )\n REAL, SAVE, ALLOCATABLE :: dum2d ( : , : )\n INTEGER, SAVE, ALLOCATABLE :: dum2d_i ( : , : )\n REAL, SAVE, ALLOCATABLE :: dum2d_u ( : , : )\n REAL, SAVE, ALLOCATABLE :: dum2d_v ( : , : )\n REAL, SAVE, ALLOCATABLE :: dum3d_l ( : , : , : )\n INTEGER, SAVE, ALLOCATABLE :: dum3d_li ( : , : , : )\n REAL, SAVE, ALLOCATABLE :: dum3d_m ( : , : , : )\n REAL, SAVE, ALLOCATABLE :: dum3d_p ( : , : , : )\n REAL, SAVE, ALLOCATABLE :: dum3d_s ( : , : , : )\n REAL, SAVE, ALLOCATABLE :: dum3d_t ( : , : , : )\n REAL, SAVE, ALLOCATABLE :: dum3d_u ( : , : , : )\n REAL, SAVE, ALLOCATABLE :: dum3d_v ( : , : , : )\n REAL, SAVE, ALLOCATABLE :: dum3d_w ( : , : , : )\n CHARACTER(LEN=19) :: endseas\n LOGICAL, SAVE :: first = .TRUE.\n CHARACTER(LEN=256) :: fl\n CHARACTER(LEN=256) :: flg\n LOGICAL :: gotfaces = .TRUE.\n LOGICAL :: gotseaice\n LOGICAL :: gotznt\n INTEGER :: i\n INTEGER :: id_data\n INTEGER :: idts_end\n INTEGER :: idts_start\n INTEGER :: idtsec\n LOGICAL :: iffl\n CHARACTER(LEN=64) :: ifmt1\n CHARACTER(LEN=64) :: ifmt1a\n CHARACTER(LEN=64) :: ifmt2\n CHARACTER(LEN=64) :: ifmt3\n CHARACTER(LEN=64) :: ifmt4\n CHARACTER(LEN=64) :: ifmt5\n INTEGER :: ii\n INTEGER :: im1\n INTEGER :: it\n INTEGER, SAVE :: it_start\n INTEGER :: itm1\n INTEGER :: j\n INTEGER :: jj\n INTEGER :: jm1\n INTEGER :: k\n INTEGER :: k1\n INTEGER :: k2\n REAL :: latrad\n INTEGER :: lent\n REAL, EXTERNAL :: mapfac_lam\n REAL, EXTERNAL :: mapfac_merc\n REAL, EXTERNAL :: mapfac_ps\n CHARACTER(LEN=24), INTENT(IN) :: mcip_now\n CHARACTER(LEN=24) :: mcip_previous\n INTEGER :: m1count = 1\n INTEGER, SAVE :: mmcount = 1\n INTEGER, SAVE :: n_times\n LOGICAL, SAVE :: newfile = .TRUE.\n LOGICAL :: newfilem1 = .TRUE.\n INTEGER :: nxm\n INTEGER :: nym\n INTEGER :: nzp\n REAL :: pi\n CHARACTER(LEN=16), PARAMETER :: pname = 'RDWRFEM'\n INTEGER :: rcode\n REAL, PARAMETER :: rdovcp = 2.0 / 7.0\n REAL, PARAMETER :: smallnum = 1.0e-7\n CHARACTER(LEN=19) :: startseas\n CHARACTER(LEN=2) :: str1\n CHARACTER(LEN=2) :: str2\n CHARACTER(LEN=19),SAVE,ALLOCATABLE:: times ( : )\n REAL, PARAMETER :: twoomega = 2.0 * 7.2921e-5 ! [s-1]\n REAL :: xoff\n REAL :: xxin\n REAL :: yoff\n REAL :: yyin\n\n ! Define roughness length as functions of land use and season in case\n ! it is not available in WRF output.\n\n REAL, PARAMETER :: sfz0oldsum ( 13 ) = & ! summer [cm]\n (/ 50.0, 15.0, 12.0, 50.0, 50.0, 40.0, 0.01, 20.0, &\n 10.0, 10.0, 5.0, 50.0, 15.0 /)\n\n REAL, PARAMETER :: sfz0oldwin ( 13 ) = & ! winter [cm]\n (/ 50.0, 5.0, 10.0, 50.0, 50.0, 40.0, 0.01, 20.0, &\n 10.0, 10.0, 5.0, 50.0, 15.0 /)\n\n REAL, PARAMETER :: sfz0modsum ( 33 ) = & ! summer [cm]\n (/ 50.0, 50.0, 50.0, 50.0, 50.0, 5.0, 6.0, 5.0, &\n 15.0, 12.0, 30.0, 15.0, 80.0, 14.0, 0.1, 1.0, &\n 0.01, 30.0, 15.0, 10.0, 0.01, 80.0, 80.0, 80.0, &\n 80.0, 80.0, 80.0, 80.0, 80.0, 80.0, 80.0, 80.0, 80.0 /)\n\n REAL, PARAMETER :: sfz0modwin ( 33 ) = & ! winter [cm]\n (/ 50.0, 50.0, 50.0, 50.0, 20.0, 1.0, 1.0, 1.0, &\n 15.0, 50.0, 30.0, 5.0, 80.0, 5.0, 0.1, 1.0, &\n 0.01, 10.0, 30.0, 15.0, 0.01, 80.0, 80.0, 80.0, &\n 80.0, 80.0, 80.0, 80.0, 80.0, 80.0, 80.0, 80.0, 80.0 /)\n\n REAL, PARAMETER :: sfz0nlcd50sum ( 50 ) = & ! summer [cm]\n (/ 0.1, 1.2, 30.0, 40.0, 60.0, 100.0, 5.0, 5.0, &\n 100.0, 100.0, 100.0, 10.0, 15.0, 7.0, 7.0, 5.0, &\n 5.0, 5.0, 7.0, 10.0, 55.0, 80.0, 30.0, 60.0, &\n 30.0, 11.0, 11.0, 11.0, 5.0, 5.0, 0.1, 100.0, &\n 90.0, 100.0, 100.0, 100.0, 15.0, 15.0, 25.0, 15.0, &\n 7.0, 20.0, 10.0, 80.0, 30.0, 1.2, 5.0, 0.1, &\n 0.1, 0.1 /)\n\n REAL, PARAMETER :: sfz0nlcd50win ( 50 ) = & ! winter [cm]\n (/ 0.1, 1.2, 30.0, 40.0, 60.0, 100.0, 5.0, 5.0, &\n 100.0, 100.0, 100.0, 10.0, 15.0, 7.0, 7.0, 5.0, &\n 5.0, 5.0, 7.0, 10.0, 55.0, 80.0, 30.0, 60.0, &\n 30.0, 11.0, 11.0, 11.0, 5.0, 5.0, 0.1, 100.0, &\n 90.0, 100.0, 100.0, 100.0, 15.0, 15.0, 25.0, 15.0, &\n 7.0, 20.0, 10.0, 80.0, 30.0, 1.2, 5.0, 0.1, &\n 0.1, 0.1 /)\n\n REAL, PARAMETER :: sfz0nlcd40sum ( 40 ) = & ! summer [cm]\n (/100.0, 90.0, 100.0, 100.0, 100.0, 30.0, 15.0, 25.0, &\n 15.0, 7.0, 20.0, 10.0, 80.0, 30.0, 1.2, 5.0, &\n 0.1, 0.1, 0.1, 0.1, 0.1, 1.2, 30.0, 40.0, &\n 60.0, 100.0, 5.0, 100.0, 100.0, 100.0, 10.0, 15.0, &\n 7.0, 7.0, 5.0, 5.0, 7.0, 10.0, 55.0, 11.0 /)\n\n REAL, PARAMETER :: sfz0nlcd40win ( 40 ) = & ! winter [cm]\n (/100.0, 90.0, 100.0, 100.0, 100.0, 30.0, 15.0, 25.0, &\n 15.0, 7.0, 20.0, 10.0, 80.0, 30.0, 1.2, 5.0, &\n 0.1, 0.1, 0.1, 0.1, 0.1, 1.2, 30.0, 40.0, &\n 60.0, 100.0, 5.0, 100.0, 100.0, 100.0, 10.0, 15.0, &\n 7.0, 7.0, 5.0, 5.0, 7.0, 10.0, 55.0, 11.0 /)\n\n REAL, PARAMETER :: sfz0sibsum ( 16 ) = & ! summer [cm]\n (/ 50.0, 50.0, 40.0, 50.0, 50.0, 15.0, 12.0, 12.0, &\n 12.0, 10.0, 10.0, 15.0, 20.0, 12.0, 0.01, 5.0 /)\n\n REAL, PARAMETER :: sfz0sibwin ( 16 ) = & ! winter [cm]\n (/ 50.0, 50.0, 40.0, 50.0, 50.0, 15.0, 10.0, 10.0, &\n 10.0, 10.0, 10.0, 5.0, 20.0, 10.0, 0.01, 5.0 /)\n\n REAL, PARAMETER :: sfz0usgssum ( 33 ) = & ! summer [cm]\n (/ 80.0, 15.0, 10.0, 15.0, 14.0, 20.0, 12.0, 5.0, &\n 6.0, 15.0, 50.0, 50.0, 50.0, 50.0, 50.0, 0.01, &\n 20.0, 40.0, 1.0, 10.0, 30.0, 15.0, 10.0, 5.0, &\n 1.0, 15.0, 1.0, 80.0, 80.0, 80.0, 80.0, 80.0, 80.0 /)\n\n REAL, PARAMETER :: sfz0usgswin ( 33 ) = & ! winter [cm]\n (/ 80.0, 5.0, 2.0, 5.0, 5.0, 20.0, 10.0, 1.0, &\n 1.0, 15.0, 50.0, 50.0, 50.0, 50.0, 20.0, 0.01, &\n 20.0, 40.0, 1.0, 10.0, 30.0, 15.0, 5.0, 5.0, &\n 1.0, 15.0, 1.0, 80.0, 80.0, 80.0, 80.0, 80.0, 80.0 /)\n\n!-------------------------------------------------------------------------------\n! Error, warning, and informational messages.\n!-------------------------------------------------------------------------------\n\n CHARACTER(LEN=256), PARAMETER :: f6000 = \"(1x, a, 1x, f12.4, 2x, a)\"\n CHARACTER(LEN=256), PARAMETER :: f6100 = \"(1x, a, 1x, i12, 2x, a)\"\n\n CHARACTER(LEN=256), PARAMETER :: f9100 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** LOOKING FOR INPUT MET AT TIME ', a, &\n & /, 1x, '*** NO MORE INPUT WRF FILES', &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9200 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** LOOKING FOR INPUT MET AT TIME ', a, &\n & /, 1x, '*** INPUT FILE NUMBER ', i3, ' IS BLANK', &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9300 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** LOOKING FOR INPUT MET AT TIME ', a, &\n & /, 1x, '*** COULD NOT FIND FILE ', a, &\n & /, 1x, '*** FILE MAY NOT EXIST', &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9400 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** ERROR RETRIEVING VARIABLE FROM WRF FILE', &\n & /, 1x, '*** VARIABLE = ', a, &\n & /, 1x, '*** RCODE = ', a, &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9410 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** ERROR RETRIEVING NCF ID FROM WRF FILE', &\n & /, 1x, '*** VARIABLE = ', a, &\n & /, 1x, '*** NCF: ', a, &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9420 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** ERROR INQUIRING ABOUT VAR IN WRF FILE', &\n & /, 1x, '*** VARIABLE = ', a, &\n & /, 1x, '*** NCF: ', a, &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9430 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** ERROR RETRIEVING DIMS FROM WRF FILE', &\n & /, 1x, '*** VARIABLE = ', a, &\n & /, 1x, '*** NCF: ', a, &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9500 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** UNKNOWN LAND USE CLASSIFICATION SYSTEM', &\n & /, 1x, '*** LAND USE SOURCE = ', a, &\n & /, 1x, '*** HIGHEST INDEX FOUND = ', i4, &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9700 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** UNABLE TO SET ZNT FROM LOOKUP TABLE', &\n & /, 1x, '*** LAND USE SOURCE = ', a, &\n & /, 1x, '*** NUMBER OF LAND USE CATEGORIES = ', i3, &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9800 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** UNABLE TO BLEND ', a, ' FOR UCM', &\n & /, 1x, '*** UNKNOWN LAND USE SOURCE', &\n & /, 1x, '*** LAND USE SOURCE = ', a, &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9900 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** ERROR OPENING WRF NETCDF FILE', &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9950 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** ERROR CLOSING WRF NETCDF FILE', &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9975 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** DID NOT FIND ARRAY ', a, &\n & /, 1x, '*** WILL DEFINE FROM OTHER FIELDS LATER', &\n & /, 1x, 70('*'))\"\n\n!-------------------------------------------------------------------------------\n! Define additional staggered grid dimensions.\n!-------------------------------------------------------------------------------\n\n nxm = met_nx - 1\n nym = met_ny - 1\n nzp = met_nz + 1\n\n!-------------------------------------------------------------------------------\n! Set up print statements.\n!-------------------------------------------------------------------------------\n\n k1 = met_nz / 5\n k2 = MOD(met_nz, 5)\n\n WRITE ( str1, '(i2)' ) k1 - 1\n WRITE ( str2, '(i2)' ) k2\n\n IF ( (k1 - 1) > 0 ) THEN\n IF ( k2 > 0 ) THEN\n ifmt1 = \"(/,1x,a,5(1x,f12.4),\" // str1 // \"(/,10x,5(1x,f12.4)),/,10x,\" &\n & // str2 // \"(1x,f12.4))\"\n ELSE\n ifmt1 = \"(/,1x,a,5(1x,f12.4),\" // str1 // \"(/,10x,5(1x,f12.4)))\"\n ENDIF\n ELSE\n IF ( k2 > 0 ) THEN\n ifmt1 = \"(/,1x,a,5(1x,f12.4),/,11x,\" // str2 // \"(1x,f12.4))\"\n ELSE\n ifmt1 = \"(/,1x,a,5(1x,f12.4))\"\n ENDIF\n ENDIF\n\n k1 = (nzp) / 5\n k2 = MOD(nzp, 5)\n\n WRITE ( str1, '(i2)' ) k1 - 1\n WRITE ( str2, '(i2)' ) k2\n\n IF ( (k1 - 1) > 0 ) THEN\n IF ( k2 > 0 ) THEN\n ifmt1a = \"(/,1x,a,5(1x,f12.4),\" // str1 // \"(/,10x,5(1x,f12.4)),/,10x,\" &\n & // str2 // \"(1x,f12.4))\"\n ELSE\n ifmt1a = \"(/,1x,a,5(1x,f12.4),\" // str1 // \"(/,10x,5(1x,f12.4)))\"\n ENDIF\n ELSE\n IF ( k2 > 0 ) THEN\n ifmt1a = \"(/,1x,a,5(1x,f12.4),/,10x,\" // str2 // \"(1x,f12.4))\"\n ELSE\n ifmt1a = \"(/,1x,a,5(1x,f12.4))\"\n ENDIF\n ENDIF\n\n k1 = nummetlu / 5\n k2 = MOD(nummetlu, 5)\n\n WRITE ( str1, '(i2)' ) k1 - 1\n WRITE ( str2, '(i2)' ) k2\n\n IF ( (k1 - 1) > 0 ) THEN\n IF ( k2 > 0 ) THEN\n ifmt2 = \"(/,1x,a,5(1x,f12.4),\" // str1 // \"(/,10x,5(1x,f12.4)),/,10x,\" &\n & // str2 // \"(1x,f12.4))\"\n ifmt3 = \"(/,1x,a,5(i12,1x),\" // str1 // \"(/,10x,5(1x,i12)),/,10x,\" &\n & // str2 // \"(1x,i12))\"\n ELSE\n ifmt2 = \"(/,1x,a,5(1x,f12.4),\" // str1 // \"(/,10x,5(1x,f12.4)))\"\n ifmt3 = \"(/,1x,a,5(i12,1x),\" // str1 // \"(/,10x,5(1x,i12)))\"\n ENDIF\n ELSE\n IF ( k2 > 0 ) THEN\n ifmt2 = \"(/,1x,a,5(1x,f12.4),/,10x,\" // str2 // \"(1x,f12.4))\"\n ifmt3 = \"(/,1x,a,5(i12,1x),/,10x,\" // str2 // \"(1x,i12))\"\n ELSE\n ifmt2 = \"(/,1x,a,5(1x,f12.4))\"\n ifmt3 = \"(/,1x,a,5(i12,1x))\"\n ENDIF\n ENDIF\n\n k1 = nummosaic / 5\n k2 = MOD(nummosaic, 5)\n\n WRITE ( str1, '(i2)' ) k1 - 1\n WRITE ( str2, '(i2)' ) k2\n\n IF ( (k1 - 1) > 0 ) THEN\n IF ( k2 > 0 ) THEN\n ifmt4 = \"(/,1x,a,5(1x,f12.4),\" // str1 // \"(/,10x,5(1x,f12.4)),/,10x,\" &\n & // str2 // \"(1x,f12.4))\"\n ELSE\n ifmt4 = \"(/,1x,a,5(1x,f12.4),\" // str1 // \"(/,10x,5(1x,f12.4)))\"\n ENDIF\n ELSE\n IF ( k2 > 0 ) THEN\n ifmt4 = \"(/,1x,a,5(1x,f12.4),/,10x,\" // str2 // \"(1x,f12.4))\"\n ELSE\n ifmt4 = \"(/,1x,a,5(1x,f12.4))\"\n ENDIF\n ENDIF\n\n k1 = met_ns / 5\n k2 = MOD(met_ns, 5)\n\n WRITE ( str1, '(i2)' ) k1 - 1\n WRITE ( str2, '(i2)' ) k2\n\n IF ( (k1 - 1) > 0 ) THEN\n IF ( k2 > 0 ) THEN\n ifmt5 = \"(/,1x,a,5(1x,f12.4),\" // str1 // \"(/,10x,5(1x,f12.4)),/,10x,\" &\n & // str2 // \"(1x,f12.4))\"\n ELSE\n ifmt5 = \"(/,1x,a,5(1x,f12.4),\" // str1 // \"(/,10x,5(1x,f12.4)))\"\n ENDIF\n ELSE\n IF ( k2 > 0 ) THEN\n ifmt5 = \"(/,1x,a,5(1x,f12.4),/,11x,\" // str2 // \"(1x,f12.4))\"\n ELSE\n ifmt5 = \"(/,1x,a,5(1x,f12.4))\"\n ENDIF\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Allocate necessary variables.\n!-------------------------------------------------------------------------------\n\n IF ( .NOT. ALLOCATED ( dum2d ) ) & \n ALLOCATE ( dum2d (nxm, nym) ) ! 2D, cross points\n IF ( .NOT. ALLOCATED ( dum2d_i ) ) &\n ALLOCATE ( dum2d_i (nxm, nym) ) ! 2D integer, cross points\n IF ( .NOT. ALLOCATED ( dum2d_u ) ) &\n ALLOCATE ( dum2d_u (met_nx, nym ) ) ! 2D, E-W flux pts\n IF ( .NOT. ALLOCATED ( dum2d_v ) ) &\n ALLOCATE ( dum2d_v (nxm, met_ny ) ) ! 2D, N-S flux pts\n IF ( .NOT. ALLOCATED ( dum3d_l ) ) &\n ALLOCATE ( dum3d_l (nxm, nym, nummetlu ) ) ! 3D, cross points, lu\n IF ( .NOT. ALLOCATED ( dum3d_li ) ) &\n ALLOCATE ( dum3d_li (nxm, nym, nummetlu ) ) ! 3D, cross points, lu int\n IF ( .NOT. ALLOCATED ( dum3d_m ) ) &\n ALLOCATE ( dum3d_m (nxm, nym, nummosaic) ) ! 3D, cross pts in mosaic cat\n IF ( .NOT. ALLOCATED ( dum3d_p ) ) &\n ALLOCATE ( dum3d_p (nxm, nym, met_nz ) ) ! 3D, cross points, half lvls\n IF ( .NOT. ALLOCATED ( dum3d_s ) ) &\n ALLOCATE ( dum3d_s (nxm, nym, met_ns ) ) ! 3D, cross points, soil lvls\n IF ( .NOT. ALLOCATED ( dum3d_t ) ) &\n ALLOCATE ( dum3d_t (nxm, nym, met_nz ) ) ! 3D, cross points, half lvls\n IF ( .NOT. ALLOCATED ( dum3d_u ) ) &\n ALLOCATE ( dum3d_u (met_nx, nym, met_nz ) ) ! 3D, E-W flux pts, half lvls\n IF ( .NOT. ALLOCATED ( dum3d_v ) ) &\n ALLOCATE ( dum3d_v (nxm, met_ny, met_nz ) ) ! 3D, N-S flux pts, half lvls\n IF ( .NOT. ALLOCATED ( dum3d_w ) ) &\n ALLOCATE ( dum3d_w (nxm, nym, nzp) ) ! 3D, cross points, full lvls\n\n!-------------------------------------------------------------------------------\n! If not processing the first output time of the WRF run (and if not using the\n! incremental precipitation option available in WRFv3.2+), retrieve accumulated\n! precipitation totals from time increment before first MCIP step so that\n! first incremental precipitation \"rates\" can be computed. This step ensures\n! that the \"hold\" values for convective and non-convective precipitation are\n! correctly set with last accumulated total.\n!-------------------------------------------------------------------------------\n\n gotseaice = .FALSE.\n\n IF ( ( first ) .AND. ( mcip_now > met_startdate ) &\n .AND. ( met_pcp_incr == 0 ) ) THEN\n\n CALL geth_newdate (mcip_previous, mcip_now, intvl*(-60))\n\n fl = file_mm(m1count)\n\n findprev: DO\n IF ( newfilem1 ) THEN\n rcode = nf90_open (fl, nf90_nowrite, cdfid)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9900) TRIM(pname)\n CALL graceful_stop (pname)\n ENDIF\n CALL chkwrfhdr (fl, cdfid)\n rcode = nf90_inq_varid (cdfid, 'Times', id_data)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9410) TRIM(pname), 'Times', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n rcode = nf90_inquire_variable (cdfid, id_data, dimids=dimids)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9420) TRIM(pname), 'Times', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n rcode = nf90_inquire_dimension (cdfid, dimids(1), len=lent)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9430) TRIM(pname), 'Times', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n rcode = nf90_inquire_dimension (cdfid, dimids(2), len=n_times)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9430) TRIM(pname), 'Times', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n IF ( ALLOCATED ( times ) ) DEALLOCATE ( times )\n ALLOCATE ( times ( n_times ) )\n rcode = nf90_get_var (cdfid, id_data, times, &\n start=(/1,1/), count=(/lent,n_times/))\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9400) TRIM(pname), 'Times', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n newfilem1 = .FALSE.\n ENDIF\n DO i = 1, n_times\n CALL geth_idts (times(i), mcip_previous(1:19), idtsec)\n IF ( ABS(idtsec) < ttol_sec ) THEN ! found MCIP_PREVIOUS in WRF output\n itm1 = i\n EXIT findprev\n ENDIF\n ENDDO\n IF ( i > n_times ) THEN\n rcode = nf90_close (cdfid)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9950) TRIM(pname)\n CALL graceful_stop (pname)\n ENDIF\n newfilem1 = .TRUE.\n m1count = m1count + 1\n IF ( m1count > max_mm ) THEN\n WRITE (*,f9100) TRIM(pname), mcip_previous\n CALL graceful_stop (pname)\n ENDIF\n fl = file_mm(m1count)\n IF ( fl(1:10) == ' ' ) THEN\n WRITE (*,f9200) TRIM(pname), mcip_previous, m1count\n CALL graceful_stop (pname)\n ENDIF\n INQUIRE (FILE=fl, EXIST=iffl)\n IF ( .NOT. iffl ) THEN\n WRITE (*,f9300) TRIM(pname), mcip_previous, TRIM(fl)\n CALL graceful_stop (pname)\n ENDIF\n ENDIF\n ENDDO findprev\n\n CALL get_var_2d_real_cdf (cdfid, 'RAINC', dum2d, itm1, rcode)\n IF ( rcode == nf90_noerr ) THEN\n rcold(1:nxm,1:nym) = dum2d(:,:)\n rcold(met_nx,:) = rcold(nxm,:)\n rcold(:,met_ny) = rcold(:,nym)\n WHERE ( rcold < smallnum )\n rcold = 0.0\n ENDWHERE\n ELSE\n WRITE (*,f9400) TRIM(pname), 'RAINC', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n CALL get_var_2d_real_cdf (cdfid, 'RAINNC', dum2d, itm1, rcode)\n IF ( rcode == nf90_noerr ) THEN\n rnold(1:nxm,1:nym) = dum2d(:,:)\n rnold(met_nx,:) = rnold(nxm,:)\n rnold(:,met_ny) = rnold(:,nym)\n WHERE ( rnold < smallnum )\n rnold = 0.0\n ENDWHERE\n ELSE\n WRITE (*,f9400) TRIM(pname), 'RAINNC', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n IF ( met_rain_bucket > 0.0 ) THEN ! tipping bucket is on\n \n CALL get_var_2d_int_cdf (cdfid, 'I_RAINC', dum2d_i, itm1, rcode)\n IF ( rcode == nf90_noerr ) THEN\n ircold(1:nxm,1:nym) = dum2d_i(:,:)\n ircold(met_nx,:) = ircold(nxm,:)\n ircold(:,met_ny) = ircold(:,nym)\n ELSE\n WRITE (*,f9400) TRIM(pname), 'I_RAINC', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n CALL get_var_2d_int_cdf (cdfid, 'I_RAINNC', dum2d_i, itm1, rcode)\n IF ( rcode == nf90_noerr ) THEN\n irnold(1:nxm,1:nym) = dum2d_i(:,:)\n irnold(met_nx,:) = irnold(nxm,:)\n irnold(:,met_ny) = irnold(:,nym)\n ELSE\n WRITE (*,f9400) TRIM(pname), 'I_RAINNC', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n ENDIF ! tipping bucket\n\n rcode = nf90_close (cdfid)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9950) TRIM(pname)\n CALL graceful_stop (pname)\n ENDIF\n\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Find time index (IT) for MCIP_NOW in WRF output file.\n!-------------------------------------------------------------------------------\n\n fl = file_mm(mmcount)\n\n findit: DO\n IF ( newfile ) THEN\n rcode = nf90_open (fl, nf90_nowrite, cdfid)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9900) TRIM(pname)\n CALL graceful_stop (pname)\n ENDIF\n CALL chkwrfhdr (fl, cdfid)\n rcode = nf90_inq_varid (cdfid, 'Times', id_data)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9410) TRIM(pname), 'Times', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n rcode = nf90_inquire_variable (cdfid, id_data, dimids=dimids)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9420) TRIM(pname), 'Times', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n rcode = nf90_inquire_dimension (cdfid, dimids(1), len=lent)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9430) TRIM(pname), 'Times', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n rcode = nf90_inquire_dimension (cdfid, dimids(2), len=n_times)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9430) TRIM(pname), 'Times', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n IF ( ALLOCATED ( times ) ) DEALLOCATE ( times )\n ALLOCATE ( times ( n_times ) )\n rcode = nf90_get_var (cdfid, id_data, times, &\n start=(/1,1/), count=(/lent,n_times/))\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9400) TRIM(pname), 'Times', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n newfile = .FALSE.\n it_start = 1\n ENDIF\n DO i = it_start, n_times\n CALL geth_idts (times(i), mcip_now(1:19), idtsec)\n IF ( ABS(idtsec) < ttol_sec ) THEN ! found MCIP_NOW in WRF output\n it = i\n IF ( i < n_times ) it_start = i + 1\n EXIT findit\n ENDIF\n ENDDO\n IF ( i > n_times ) THEN\n rcode = nf90_close (cdfid)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9950) TRIM(pname)\n CALL graceful_stop (pname)\n ENDIF\n newfile = .TRUE.\n mmcount = mmcount + 1\n IF ( mmcount > max_mm ) THEN\n WRITE (*,f9100) TRIM(pname), mcip_now\n CALL graceful_stop (pname)\n ENDIF\n fl = file_mm(mmcount)\n IF ( fl(1:10) == ' ' ) THEN\n WRITE (*,f9200) TRIM(pname), mcip_now, mmcount\n CALL graceful_stop (pname)\n ENDIF\n INQUIRE (FILE=fl, EXIST=iffl)\n IF ( .NOT. iffl ) THEN\n WRITE (*,f9300) TRIM(pname), mcip_now, TRIM(fl)\n CALL graceful_stop (pname)\n ENDIF\n ENDIF\n ENDDO findit\n\n!-------------------------------------------------------------------------------\n! Read WRF data for this domain.\n!-------------------------------------------------------------------------------\n\n CALL get_var_3d_real_cdf (cdfid, 'U', dum3d_u, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n ua(:,1:nym, :) = dum3d_u(:,:,:)\n ua(:, met_ny,:) = ua(:,nym,:)\n WRITE (*,ifmt1) 'U ', (ua(lprt_metx,lprt_mety,k),k=1,met_nz)\n ELSE\n WRITE (*,f9400) TRIM(pname), 'U', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n CALL get_var_3d_real_cdf (cdfid, 'V', dum3d_v, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n va(1:nxm ,:,:) = dum3d_v(:,:,:)\n va( met_nx,:,:) = va(nxm,:,:)\n WRITE (*,ifmt1) 'V ', (va(lprt_metx,lprt_mety,k),k=1,met_nz)\n ELSE\n WRITE (*,f9400) TRIM(pname), 'V', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n CALL get_var_3d_real_cdf (cdfid, 'W', dum3d_w, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n wa(1:nxm, 1:nym, :) = dum3d_w(:,:,:)\n wa( met_nx, :, :) = wa(nxm,:,:)\n wa( :, met_ny,:) = wa(:,nym,:)\n WRITE (*,ifmt1a) 'W ', (wa(lprt_metx,lprt_mety,k),k=1,nzp)\n ELSE\n WRITE (*,f9400) TRIM(pname), 'W', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n CALL get_var_3d_real_cdf (cdfid, 'PH', dum3d_w, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n ph(1:nxm, 1:nym, :) = dum3d_w(:,:,:)\n ph( met_nx, :, :) = ph(nxm,:,:)\n ph( :, met_ny,:) = ph(:,nym,:)\n WRITE (*,ifmt1a) 'PH ', (ph(lprt_metx,lprt_mety,k),k=1,nzp)\n ELSE\n WRITE (*,f9400) TRIM(pname), 'PH', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n CALL get_var_3d_real_cdf (cdfid, 'PHB', dum3d_w, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n phb(1:nxm, 1:nym, :) = dum3d_w(:,:,:)\n phb( met_nx, :, :) = phb(nxm,:,:)\n phb( :, met_ny,:) = phb(:,nym,:)\n WRITE (*,ifmt1a) 'PHB ', (phb(lprt_metx,lprt_mety,k),k=1,nzp)\n ELSE\n WRITE (*,f9400) TRIM(pname), 'PHB', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n CALL get_var_3d_real_cdf (cdfid, 'P', dum3d_p, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n pp(1:nxm, 1:nym, :) = dum3d_p(:,:,:)\n pp( met_nx, :, :) = pp(nxm,:,:)\n pp( :, met_ny,:) = pp(:,nym,:)\n WRITE (*,ifmt1) 'P ', (pp(lprt_metx,lprt_mety,k),k=1,met_nz)\n ELSE\n WRITE (*,f9400) TRIM(pname), 'P', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n CALL get_var_3d_real_cdf (cdfid, 'PB', dum3d_p, it, rcode)\n IF ( rcode == 0 ) THEN\n pb(1:nxm, 1:nym, :) = dum3d_p(:,:,:)\n pb( met_nx, :, :) = pb(nxm,:,:)\n pb( :, met_ny,:) = pb(:,nym,:)\n WRITE (*,ifmt1) 'PB ', (pb(lprt_metx,lprt_mety,k),k=1,met_nz)\n ELSE\n WRITE (*,f9400) TRIM(pname), 'PB', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n CALL get_var_3d_real_cdf (cdfid, 'T', dum3d_t, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n dum3d_p(:,:,:) = dum3d_p(:,:,:) + pp(1:nxm,1:nym,:) ! pressure [Pa]\n dum3d_t(:,:,:) = dum3d_t(:,:,:) + 300.0 ! theta [K]\n IF ( lpv > 0 .OR. ifmolpx ) THEN ! need theta\n theta(1:nxm, 1:nym, :) = dum3d_t(:,:,:)\n theta( met_nx, :, :) = theta(nxm,:,:)\n theta( :, met_ny,:) = theta(:,nym,:)\n WRITE (*,ifmt1) 'THETA ', (theta(lprt_metx,lprt_mety,k),k=1,met_nz)\n ENDIF\n ta(1:nxm, 1:nym, :) = dum3d_t(:,:,:) * (dum3d_p(:,:,:)/100000.0)**rdovcp\n ta( met_nx, :, :) = ta(nxm,:,:)\n ta( :, met_ny,:) = ta(:,nym,:)\n WRITE (*,ifmt1) 'T ', (ta(lprt_metx,lprt_mety,k),k=1,met_nz)\n ELSE\n WRITE (*,f9400) TRIM(pname), 'T', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n CALL get_var_3d_real_cdf (cdfid, 'QVAPOR', dum3d_t, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n qva(1:nxm, 1:nym, :) = dum3d_t(:,:,:)\n qva( met_nx, :, :) = qva(nxm,:,:)\n qva( :, met_ny,:) = qva(:,nym,:)\n WRITE (*,ifmt1) 'QVAPOR ', (qva(lprt_metx,lprt_mety,k),k=1,met_nz)\n ELSE\n WRITE (*,f9400) TRIM(pname), 'QVAPOR', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n CALL get_var_3d_real_cdf (cdfid, 'QCLOUD', dum3d_t, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n qca(1:nxm, 1:nym, :) = dum3d_t(:,:,:)\n qca( met_nx, :, :) = qca(nxm,:,:)\n qca( :, met_ny,:) = qca(:,nym,:)\n WRITE (*,ifmt1) 'QCLOUD ', (qca(lprt_metx,lprt_mety,k),k=1,met_nz)\n ELSE\n WRITE (*,f9400) TRIM(pname), 'QCLOUD', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n CALL get_var_3d_real_cdf (cdfid, 'QRAIN', dum3d_t, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n qra(1:nxm, 1:nym, :) = dum3d_t(:,:,:)\n qra( met_nx, :, :) = qra(nxm,:,:)\n qra( :, met_ny,:) = qra(:,nym,:)\n WRITE (*,ifmt1) 'QRAIN ', (qra(lprt_metx,lprt_mety,k),k=1,met_nz)\n ELSE\n WRITE (*,f9400) TRIM(pname), 'QRAIN', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n rcode = nf90_inq_varid (cdfid, 'QICE', rcode)\n IF ( rcode == nf90_noerr ) THEN\n CALL get_var_3d_real_cdf (cdfid, 'QICE', dum3d_t, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n qia(1:nxm, 1:nym, :) = dum3d_t(:,:,:)\n qia( met_nx, :, :) = qia(nxm,:,:)\n qia( :, met_ny,:) = qia(:,nym,:)\n WRITE (*,ifmt1) 'QICE ', (qia(lprt_metx,lprt_mety,k),k=1,met_nz)\n ELSE\n WRITE (*,f9400) TRIM(pname), 'QICE', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ELSE\n qia(:,:,:) = 0.0\n ENDIF\n\n rcode = nf90_inq_varid (cdfid, 'QSNOW', rcode)\n IF ( rcode == nf90_noerr ) THEN\n CALL get_var_3d_real_cdf (cdfid, 'QSNOW', dum3d_t, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n qsa(1:nxm, 1:nym, :) = dum3d_t(:,:,:)\n qsa( met_nx, :, :) = qsa(nxm,:,:)\n qsa( :, met_ny,:) = qsa(:,nym,:)\n WRITE (*,ifmt1) 'QSNOW ', (qsa(lprt_metx,lprt_mety,k),k=1,met_nz)\n ELSE\n WRITE (*,f9400) TRIM(pname), 'QSNOW', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ELSE\n qsa(:,:,:) = 0.0\n ENDIF\n\n rcode = nf90_inq_varid (cdfid, 'QGRAUP', rcode)\n IF ( rcode == nf90_noerr ) THEN\n CALL get_var_3d_real_cdf (cdfid, 'QGRAUP', dum3d_t, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n qga(1:nxm, 1:nym, :) = dum3d_t(:,:,:)\n qga( met_nx, :, :) = qga(nxm,:,:)\n qga( :, met_ny,:) = qga(:,nym,:)\n WRITE (*,ifmt1) 'QGRAUP ', (qga(lprt_metx,lprt_mety,k),k=1,met_nz)\n ELSE\n WRITE (*,f9400) TRIM(pname), 'QGRAUP', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ELSE\n qga(:,:,:) = 0.0\n ENDIF\n\n IF ( ( iftke ) .AND. ( iftkef ) ) THEN ! TKE on full-levels\n CALL get_var_3d_real_cdf (cdfid, 'TKE', dum3d_w, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n tke(1:nxm, 1:nym, :) = dum3d_w(:,:,:)\n tke( met_nx, :, :) = tke(nxm,:,:)\n tke( :, met_ny,:) = tke(:,nym,:)\n WRITE (*,ifmt1a) 'TKE ', (tke(lprt_metx,lprt_mety,k),k=1,nzp)\n ELSE\n WRITE (*,f9400) TRIM(pname), 'TKE', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ELSE IF ( ( iftke ) .AND. ( .NOT. iftkef ) ) THEN ! TKE on half-layers\n CALL get_var_3d_real_cdf (cdfid, 'TKE_MYJ', dum3d_t, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n tke(1:nxm, 1:nym, :) = dum3d_t(:,:,:)\n tke( met_nx, :, :) = tke(nxm,:,:)\n tke( :, met_ny,:) = tke(:,nym,:)\n WRITE (*,ifmt1) 'TKE_MYJ ', (tke(lprt_metx,lprt_mety,k),k=1,met_nz)\n ELSE\n WRITE (*,f9400) TRIM(pname), 'TKE_MYJ', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDIF\n\n IF ( ifcld3d ) THEN ! 3D resolved cloud fraction\n CALL get_var_3d_real_cdf (cdfid, 'CLDFRA', dum3d_t, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n cldfra(1:nxm, 1:nym, :) = dum3d_t(:,:,:)\n cldfra( met_nx, :, :) = cldfra(nxm,:,:)\n cldfra( :, met_ny,:) = cldfra(:,nym,:)\n WRITE (*,ifmt1a) 'CLDFRA ', (cldfra(lprt_metx,lprt_mety,k),k=1,met_nz)\n ELSE\n WRITE (*,f9400) TRIM(pname), 'CLDFRA', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDIF\n\n CALL get_var_2d_real_cdf (cdfid, 'MU', dum2d, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n mu(1:nxm,1:nym) = dum2d(:,:)\n mu(met_nx,:) = mu(nxm,:)\n mu(:,met_ny) = mu(:,nym)\n WRITE (*,f6000) 'MU ', mu(lprt_metx, lprt_mety), 'Pa'\n ELSE\n WRITE (*,f9400) TRIM(pname), 'MU', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n CALL get_var_2d_real_cdf (cdfid, 'MUB', dum2d, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n mub(1:nxm,1:nym) = dum2d(:,:)\n mub(met_nx,:) = mub(nxm,:)\n mub(:,met_ny) = mub(:,nym)\n WRITE (*,f6000) 'MUB ', mub(lprt_metx, lprt_mety), 'Pa'\n ELSE\n WRITE (*,f9400) TRIM(pname), 'MUB', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n IF ( ift2m ) THEN\n CALL get_var_2d_real_cdf (cdfid, 'T2', dum2d, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n t2(1:nxm,1:nym) = dum2d(:,:)\n t2(met_nx,:) = t2(nxm,:)\n t2(:,met_ny) = t2(:,nym)\n WRITE (*,f6000) 'T2 ', t2(lprt_metx, lprt_mety), 'K'\n ELSE\n WRITE (*,f9400) TRIM(pname), 'T2', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDIF\n\n IF ( ifq2m ) THEN\n CALL get_var_2d_real_cdf (cdfid, 'Q2', dum2d, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n q2(1:nxm,1:nym) = dum2d(:,:)\n q2(met_nx,:) = t2(nxm,:)\n q2(:,met_ny) = t2(:,nym)\n WRITE (*,f6000) 'Q2 ', q2(lprt_metx, lprt_mety), 'kg kg-1'\n ELSE\n WRITE (*,f9400) TRIM(pname), 'Q2', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDIF\n\n IF ( ifw10m ) THEN\n CALL get_var_2d_real_cdf (cdfid, 'U10', dum2d, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n u10(1:nxm,1:nym) = dum2d(:,:)\n u10(met_nx,:) = u10(nxm,:)\n u10(:,met_ny) = u10(:,nym)\n WRITE (*,f6000) 'U10 ', u10(lprt_metx, lprt_mety), 'm s-1'\n ELSE\n WRITE (*,f9400) TRIM(pname), 'U10', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n CALL get_var_2d_real_cdf (cdfid, 'V10', dum2d, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n v10(1:nxm,1:nym) = dum2d(:,:)\n v10(met_nx,:) = v10(nxm,:)\n v10(:,met_ny) = v10(:,nym)\n WRITE (*,f6000) 'V10 ', v10(lprt_metx, lprt_mety), 'm s-1'\n ELSE\n WRITE (*,f9400) TRIM(pname), 'V10', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDIF\n\n CALL get_var_2d_real_cdf (cdfid, 'PSFC', dum2d, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n psa(1:nxm,1:nym) = dum2d(:,:)\n psa(met_nx,:) = psa(nxm,:)\n psa(:,met_ny) = psa(:,nym)\n WRITE (*,f6000) 'PSFC ', psa(lprt_metx, lprt_mety), 'Pa'\n ELSE\n WRITE (*,f9400) TRIM(pname), 'PSFC', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n CALL get_var_2d_real_cdf (cdfid, 'MAPFAC_M', dum2d, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n mapcrs(1:nxm,1:nym) = dum2d(:,:)\n mapcrs(met_nx,:) = mapcrs(nxm,:)\n mapcrs(:,met_ny) = mapcrs(:,nym)\n WRITE (*,f6000) 'MAPFAC_M ', mapcrs(lprt_metx, lprt_mety), 'dimensionless'\n ELSE\n WRITE (*,f9400) TRIM(pname), 'MAPFAC_M', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n CALL get_var_2d_real_cdf (cdfid, 'MAPFAC_U', dum2d_u, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n mapu(:,1:nym) = dum2d_u(:,:)\n mapu(:,met_ny) = mapu(:,nym)\n WRITE (*,f6000) 'MAPFAC_U ', mapu(lprt_metx, lprt_mety), 'dimensionless'\n ELSE\n gotfaces = .FALSE.\n ENDIF\n\n CALL get_var_2d_real_cdf (cdfid, 'MAPFAC_V', dum2d_v, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n mapv(1:nxm,:) = dum2d_v(:,:)\n mapv(met_nx,:) = mapv(nxm,:)\n WRITE (*,f6000) 'MAPFAC_V ', mapv(lprt_metx, lprt_mety), 'dimensionless'\n ELSE\n gotfaces = .FALSE.\n ENDIF\n\n CALL get_var_2d_real_cdf (cdfid, 'HGT', dum2d, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n terrain(1:nxm,1:nym) = dum2d(:,:)\n terrain(met_nx,:) = terrain(nxm,:)\n terrain(:,met_ny) = terrain(:,nym)\n WRITE (*,f6000) 'HGT ', terrain(lprt_metx, lprt_mety), 'm'\n ELSE\n WRITE (*,f9400) TRIM(pname), 'HGT', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n IF ( met_pcp_incr == 0 ) THEN ! compute incremental precip in MCIP\n\n CALL get_var_2d_real_cdf (cdfid, 'RAINC', dum2d, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n WHERE ( dum2d < smallnum )\n dum2d = 0.0\n ENDWHERE\n raincon(1:nxm,1:nym) = (dum2d(:,:) - rcold(1:nxm,1:nym))/10.0\n raincon(met_nx,:) = raincon(nxm,:)\n raincon(:,met_ny) = raincon(:,nym)\n rcold(1:nxm,1:nym) = dum2d(:,:)\n WRITE (*,f6000) 'RAINC ', raincon(lprt_metx, lprt_mety), 'cm'\n ELSE\n WRITE (*,f9400) TRIM(pname), 'RAINC', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n CALL get_var_2d_real_cdf (cdfid, 'RAINNC', dum2d, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n WHERE ( dum2d < smallnum )\n dum2d = 0.0\n ENDWHERE\n rainnon(1:nxm,1:nym) = (dum2d(:,:) - rnold(1:nxm,1:nym))/10.0\n rainnon(met_nx,:) = rainnon(nxm,:)\n rainnon(:,met_ny) = rainnon(:,nym)\n rnold(1:nxm,1:nym) = dum2d(:,:)\n WRITE (*,f6000) 'RAINNC ', rainnon(lprt_metx, lprt_mety), 'cm'\n ELSE\n WRITE (*,f9400) TRIM(pname), 'RAINNC', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n IF ( met_rain_bucket > 0.0 ) THEN ! adjust RAINC and RAINNC for bucket\n \n CALL get_var_2d_int_cdf (cdfid, 'I_RAINC', dum2d_i, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n i_rainc(1:nxm,1:nym) = dum2d_i(:,:) - ircold(1:nxm,1:nym)\n i_rainc(met_nx,:) = i_rainc(nxm,:)\n i_rainc(:,met_ny) = i_rainc(:,nym)\n raincon(:,:) = raincon(:,:) + 0.1 * met_rain_bucket * FLOAT(i_rainc(:,:))\n ircold (1:nxm,1:nym) = dum2d_i(:,:)\n ircold (met_nx,:) = ircold(nxm,:)\n ircold (:,met_ny) = ircold(:,nym)\n WRITE (*,f6100) 'I_RAINC ', i_rainc(lprt_metx, lprt_mety), 'times'\n WRITE (*,f6000) 'CONV RAIN', raincon(lprt_metx, lprt_mety), 'cm'\n ELSE\n WRITE (*,f9400) TRIM(pname), 'I_RAINC', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n \n CALL get_var_2d_int_cdf (cdfid, 'I_RAINNC', dum2d_i, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n i_rainnc(1:nxm,1:nym) = dum2d_i(:,:) - irnold(1:nxm,1:nym)\n i_rainnc(met_nx,:) = i_rainnc(nxm,:)\n i_rainnc(:,met_ny) = i_rainnc(:,nym)\n rainnon (:,:) = rainnon(:,:) + 0.1 * met_rain_bucket * FLOAT(i_rainnc(:,:))\n irnold (1:nxm,1:nym) = dum2d_i(:,:)\n irnold (met_nx,:) = irnold(nxm,:)\n irnold (:,met_ny) = irnold(:,nym)\n WRITE (*,f6100) 'I_RAINNC ', i_rainnc(lprt_metx, lprt_mety), 'times'\n WRITE (*,f6000) 'NONC RAIN', rainnon(lprt_metx, lprt_mety), 'cm'\n ELSE\n WRITE (*,f9400) TRIM(pname), 'I_RAINNC', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n \n ENDIF ! tipping bucket\n\n ! Ensure precipitation values for this time increment are not negative.\n\n raincon(:,:) = MAX(0.0, raincon(:,:))\n rainnon(:,:) = MAX(0.0, rainnon(:,:))\n \n ELSE ! incremental precip taken directly from WRF\n\n CALL get_var_2d_real_cdf (cdfid, 'PREC_ACC_C', dum2d, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n WHERE ( dum2d < smallnum )\n dum2d = 0.0\n ENDWHERE\n raincon(1:nxm,1:nym) = dum2d(:,:) / 10.0\n raincon(met_nx,:) = raincon(nxm,:)\n raincon(:,met_ny) = raincon(:,nym)\n WRITE (*,f6000) 'RAINC ', raincon(lprt_metx, lprt_mety), 'cm'\n ELSE\n WRITE (*,f9400) TRIM(pname), 'PREC_ACC_C', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n CALL get_var_2d_real_cdf (cdfid, 'PREC_ACC_NC', dum2d, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n WHERE ( dum2d < smallnum )\n dum2d = 0.0\n ENDWHERE\n rainnon(1:nxm,1:nym) = dum2d(:,:) / 10.0\n rainnon(met_nx,:) = rainnon(nxm,:)\n rainnon(:,met_ny) = rainnon(:,nym)\n WRITE (*,f6000) 'RAINNC ', rainnon(lprt_metx, lprt_mety), 'cm'\n ELSE\n WRITE (*,f9400) TRIM(pname), 'PREC_ACC_NC', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n ENDIF ! incremental precip\n\n CALL get_var_2d_real_cdf (cdfid, 'SWDOWN', dum2d, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n rgrnd(1:nxm,1:nym) = dum2d(:,:)\n rgrnd(met_nx,:) = rgrnd(nxm,:)\n rgrnd(:,met_ny) = rgrnd(:,nym)\n WRITE (*,f6000) 'SWDOWN ', rgrnd(lprt_metx, lprt_mety), 'W m-2'\n ELSE\n WRITE (*,f9400) TRIM(pname), 'SWDOWN', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n CALL get_var_2d_real_cdf (cdfid, 'GLW', dum2d, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n glw(1:nxm,1:nym) = dum2d(:,:)\n glw(met_nx,:) = glw(nxm,:)\n glw(:,met_ny) = glw(:,nym)\n WRITE (*,f6000) 'GLW ', glw(lprt_metx, lprt_mety), 'W m-2'\n ELSE\n WRITE (*,f9400) TRIM(pname), 'GLW', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n CALL get_var_2d_real_cdf (cdfid, 'XLAT', dum2d, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n latcrs(1:nxm,1:nym) = dum2d(:,:)\n latcrs(met_nx,:) = latcrs(nxm,:)\n latcrs(:,met_ny) = latcrs(:,nym)\n WRITE (*,f6000) 'XLAT ', latcrs(lprt_metx, lprt_mety), 'degrees_north'\n ELSE\n WRITE (*,f9400) TRIM(pname), 'XLAT', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n CALL get_var_2d_real_cdf (cdfid, 'XLAT_U', dum2d_u, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n latu(:,1:nym) = dum2d_u(:,:)\n latu(:,met_ny) = latu(:,nym)\n WRITE (*,f6000) 'XLAT_U ', latu(lprt_metx, lprt_mety), 'degrees_north'\n ELSE\n gotfaces = .FALSE.\n ENDIF\n\n CALL get_var_2d_real_cdf (cdfid, 'XLAT_V', dum2d_v, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n latv(1:nxm,:) = dum2d_v(:,:)\n latv(met_nx,:) = latv(nxm,:)\n WRITE (*,f6000) 'XLAT_V ', latv(lprt_metx, lprt_mety), 'degrees_north'\n ELSE\n gotfaces = .FALSE.\n ENDIF\n\n CALL get_var_2d_real_cdf (cdfid, 'XLONG', dum2d, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n loncrs(1:nxm,1:nym) = dum2d(:,:)\n loncrs(met_nx,:) = loncrs(nxm,:)\n loncrs(:,met_ny) = loncrs(:,nym)\n WRITE (*,f6000) 'XLONG ', loncrs(lprt_metx, lprt_mety), 'degrees_east'\n ELSE\n WRITE (*,f9400) TRIM(pname), 'XLONG', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n CALL get_var_2d_real_cdf (cdfid, 'XLONG_U', dum2d_u, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n lonu(:,1:nym) = dum2d_u(:,:)\n lonu(:,met_ny) = lonu(:,nym)\n WRITE (*,f6000) 'XLONG_U ', lonu(lprt_metx, lprt_mety), 'degrees_east'\n ELSE\n gotfaces = .FALSE.\n ENDIF\n\n CALL get_var_2d_real_cdf (cdfid, 'XLONG_V', dum2d_v, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n lonv(1:nxm,:) = dum2d_v(:,:)\n lonv(met_nx,:) = lonv(nxm,:)\n WRITE (*,f6000) 'XLONG_V ', lonv(lprt_metx, lprt_mety), 'degrees_east'\n ELSE\n gotfaces = .FALSE.\n ENDIF\n\n CALL get_var_2d_real_cdf (cdfid, 'LU_INDEX', dum2d, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n IF ( MAXVAL(dum2d) > nummetlu ) THEN\n WRITE (*,f9500) TRIM(pname), met_lu_src, MAXVAL(dum2d)\n CALL graceful_stop (pname)\n ENDIF\n landuse(1:nxm,1:nym) = NINT(dum2d(:,:))\n landuse(met_nx,:) = landuse(nxm,:)\n landuse(:,met_ny) = landuse(:,nym)\n WRITE (*,f6100) 'LU_INDEX ', landuse(lprt_metx, lprt_mety), 'category'\n ELSE\n WRITE (*,f9400) TRIM(pname), 'LU_INDEX', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n CALL get_var_2d_real_cdf (cdfid, 'LANDMASK', dum2d, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n landmask(1:nxm,1:nym) = dum2d(:,:)\n landmask(met_nx,:) = landmask(nxm,:)\n landmask(:,met_ny) = landmask(:,nym)\n WRITE (*,f6000) 'LANDMASK ', landmask(lprt_metx, lprt_mety), 'category'\n ELSE\n WRITE (*,f9400) TRIM(pname), 'LANDMASK', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n CALL get_var_2d_real_cdf (cdfid, 'HFX', dum2d, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n hfx(1:nxm,1:nym) = dum2d(:,:)\n hfx(met_nx,:) = hfx(nxm,:)\n hfx(:,met_ny) = hfx(:,nym)\n WRITE (*,f6000) 'HFX ', hfx(lprt_metx, lprt_mety), 'W m-2'\n ELSE\n WRITE (*,f9400) TRIM(pname), 'HFX', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n CALL get_var_2d_real_cdf (cdfid, 'LH', dum2d, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n lh(1:nxm,1:nym) = dum2d(:,:)\n lh(met_nx,:) = lh(nxm,:)\n lh(:,met_ny) = lh(:,nym)\n WRITE (*,f6000) 'LH ', lh(lprt_metx, lprt_mety), 'W m-2'\n ELSE\n WRITE (*,f9400) TRIM(pname), 'LH', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n CALL get_var_2d_real_cdf (cdfid, 'UST', dum2d, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n ust(1:nxm,1:nym) = dum2d(:,:)\n ust(met_nx,:) = ust(nxm,:)\n ust(:,met_ny) = ust(:,nym)\n WRITE (*,f6000) 'UST ', ust(lprt_metx, lprt_mety), 'm'\n ELSE\n WRITE (*,f9400) TRIM(pname), 'UST', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n IF ( ifmol ) THEN\n CALL get_var_2d_real_cdf (cdfid, 'RMOL', dum2d, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n mol(1:nxm,1:nym) = 1.0 / dum2d(:,:)\n mol(met_nx,:) = mol(nxm,:)\n mol(:,met_ny) = mol(:,nym)\n ELSE\n WRITE (*,f9400) TRIM(pname), 'RMOL', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n IF ( met_urban_phys >= 1 ) THEN ! UCM used; get MOL above urban canopy\n CALL get_var_2d_real_cdf (cdfid, 'XXXC_URB', dum2d, it, rcode)\n IF ( rcode == nf90_noerr ) THEN ! blend urban M-O length with RMOL\n IF ( ( met_lu_src(1:4) == 'USGS' ) .AND. &\n ( MAXVAL(landuse) > 24 ) ) THEN ! 33-category USGS/NLCD\n DO j = 1, nym\n DO i = 1, nxm\n IF ( ( landuse(i,j) == 1 ) .OR. ( landuse(i,j) == 31 ) .OR. &\n ( landuse(i,j) == 32 ) .OR. ( landuse(i,j) == 33 ) ) THEN\n mol(i,j) = dum2d(i,j) ! XXXC_URB is not inverted\n ENDIF\n ENDDO\n ENDDO\n ELSE IF ( met_lu_src(1:4) == 'USGS' ) THEN ! 24-category USGS\n DO j = 1, nym\n DO i = 1, nxm\n IF ( landuse(i,j) == 1 ) THEN ! urban\n mol(i,j) = dum2d(i,j) ! XXXC_URB is not inverted\n ENDIF\n ENDDO\n ENDDO\n ELSE\n WRITE (*,f9800) TRIM(pname), 'XXXC_URB (URBAN MOL)', met_lu_src(1:4)\n CALL graceful_stop (pname)\n ENDIF\n ELSE\n!~~~ Just use RMOL to fill Monin-Obukhov length without extra urban field\n ENDIF\n ENDIF\n WRITE (*,f6000) 'MOL ', mol(lprt_metx, lprt_mety), 'm'\n ENDIF\n\n IF ( ifmolpx ) THEN\n CALL get_var_2d_real_cdf (cdfid, 'QFX', dum2d, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n qfx(1:nxm,1:nym) = dum2d(:,:)\n qfx(met_nx,:) = qfx(nxm,:)\n qfx(:,met_ny) = qfx(:,nym)\n WRITE (*,f6000) 'QFX ', qfx(lprt_metx, lprt_mety), 'kg m-2 s-1'\n ELSE\n WRITE (*,f9400) TRIM(pname), 'QFX ', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDIF\n\n CALL get_var_2d_real_cdf (cdfid, 'PBLH', dum2d, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n zpbl(1:nxm,1:nym) = dum2d(:,:)\n zpbl(met_nx,:) = zpbl(nxm,:)\n zpbl(:,met_ny) = zpbl(:,nym)\n WRITE (*,f6000) 'PBLH ', zpbl(lprt_metx, lprt_mety), 'm'\n ELSE\n WRITE (*,f9400) TRIM(pname), 'PBLH', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n IF ( ifresist ) THEN\n\n CALL get_var_2d_real_cdf (cdfid, 'RA', dum2d, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n ra(1:nxm,1:nym) = dum2d(:,:)\n ra(met_nx,:) = ra(nxm,:)\n ra(:,met_ny) = ra(:,nym)\n IF ( ABS(MAXVAL(ra)) < smallnum ) THEN\n ifresist = .FALSE.\n ENDIF\n WRITE (*,f6000) 'RA ', ra(lprt_metx, lprt_mety), 's m-1'\n ELSE\n WRITE (*,f9400) TRIM(pname), 'RA', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n CALL get_var_2d_real_cdf (cdfid, 'RS', dum2d, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n rstom(1:nxm,1:nym) = dum2d(:,:)\n rstom(met_nx,:) = rstom(nxm,:)\n rstom(:,met_ny) = rstom(:,nym)\n IF ( ABS(MAXVAL(rstom)) < smallnum ) THEN\n ifresist = .FALSE.\n ENDIF\n WRITE (*,f6000) 'RS ', rstom(lprt_metx, lprt_mety), 's m-1'\n ELSE\n WRITE (*,f9400) TRIM(pname), 'RS', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n ENDIF\n\n IF ( iflai ) THEN\n IF ( ifpxwrf41 ) THEN\n CALL get_var_2d_real_cdf (cdfid, 'LAI_PX', dum2d, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n lai_px(1:nxm,1:nym) = dum2d(:,:)\n lai_px(met_nx,:) = lai_px(nxm,:)\n lai_px(:,met_ny) = lai_px(:,nym)\n WRITE (*,f6000) 'LAI_PX ', lai_px(lprt_metx, lprt_mety), 'm2 m-2'\n ELSE\n WRITE (*,f9400) TRIM(pname), 'LAI_PX', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ELSE\n CALL get_var_2d_real_cdf (cdfid, 'LAI', dum2d, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n lai(1:nxm,1:nym) = dum2d(:,:)\n lai(met_nx,:) = lai(nxm,:)\n lai(:,met_ny) = lai(:,nym)\n IF ( ABS(MAXVAL(lai)) < smallnum ) THEN\n IF ( met_soil_lsm == 2 ) THEN ! NOAH LSM\n lai(:,:) = 4.0\n ENDIF\n ENDIF\n WRITE (*,f6000) 'LAI ', lai(lprt_metx, lprt_mety), 'm2 m-2'\n ELSE\n WRITE (*,f9400) TRIM(pname), 'LAI', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDIF\n ENDIF\n\n IF ( ifwr ) THEN\n CALL get_var_2d_real_cdf (cdfid, 'CANWAT', dum2d, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n wr(1:nxm,1:nym) = dum2d(:,:)\n wr(met_nx,:) = wr(nxm,:)\n wr(:,met_ny) = wr(:,nym)\n WRITE (*,f6000) 'CANWAT ', wr(lprt_metx, lprt_mety), 'kg m-2'\n ELSE\n WRITE (*,f9400) TRIM(pname), 'CANWAT', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDIF\n\n IF ( ifveg ) THEN\n IF ( met_soil_lsm == 7 ) THEN ! Pleim-Xiu land-surface model\n CALL get_var_2d_real_cdf (cdfid, 'VEGF_PX', dum2d, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n veg(1:nxm,1:nym) = dum2d(:,:)\n veg(met_nx,:) = veg(nxm,:)\n veg(:,met_ny) = veg(:,nym)\n WRITE (*,f6000) 'VEGF_PX ', veg(lprt_metx, lprt_mety), 'm2 m-2'\n ELSE\n CALL get_var_2d_real_cdf (cdfid, 'VEGFRA', dum2d, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n veg(1:nxm,1:nym) = dum2d(:,:) * 0.01\n veg(met_nx,:) = veg(nxm,:)\n veg(:,met_ny) = veg(:,nym)\n WRITE (*,f6000) 'VEGFRA ', veg(lprt_metx, lprt_mety), 'fraction'\n ELSE\n WRITE (*,f9400) TRIM(pname), 'VEGFRA', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDIF\n ELSE\n CALL get_var_2d_real_cdf (cdfid, 'VEGFRA', dum2d, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n veg(1:nxm,1:nym) = dum2d(:,:) * 0.01\n veg(met_nx,:) = veg(nxm,:)\n veg(:,met_ny) = veg(:,nym)\n WRITE (*,f6000) 'VEGFRA ', veg(lprt_metx, lprt_mety), 'fraction'\n ELSE\n WRITE (*,f9400) TRIM(pname), 'VEGFRA', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDIF\n ENDIF\n\n IF ( ifsoil ) THEN\n\n CALL get_var_2d_int_cdf (cdfid, 'ISLTYP', dum2d_i, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n isltyp(1:nxm,1:nym) = dum2d_i(:,:)\n isltyp(met_nx,:) = isltyp(nxm,:)\n isltyp(:,met_ny) = isltyp(:,nym)\n!!! IF ( met_soil_lsm == 7 ) THEN ! Pleim-Xiu used; detangle soil categories\n!!! CALL detangle_soil_px\n!!! ENDIF\n WRITE (*,f6100) 'ISLTYP ', isltyp(lprt_metx, lprt_mety), 'category'\n ELSE\n WRITE (*,f9400) TRIM(pname), 'ISLTYP', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n CALL get_var_3d_real_cdf (cdfid, 'SMOIS', dum3d_s, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n wg(1:nxm,1:nym) = dum3d_s(:,:,1)\n wg(met_nx,:) = wg(nxm,:)\n wg(:,met_ny) = wg(:,nym)\n WRITE (*,f6000) 'SMOIS 1 ', wg(lprt_metx, lprt_mety), 'm3 m-3'\n w2(1:nxm,1:nym) = dum3d_s(:,:,2)\n w2(met_nx,:) = w2(nxm,:)\n w2(:,met_ny) = w2(:,nym)\n WRITE (*,f6000) 'SMOIS 2 ', w2(lprt_metx, lprt_mety), 'm3 m-3'\n soim3d(1:nxm,1:nym,:) = dum3d_s(:,:,:)\n soim3d(met_nx,:,:) = soim3d(nxm,:,:)\n soim3d(:,met_ny,:) = soim3d(:,nym,:)\n WRITE (*,ifmt5) 'SMOIS ', (soim3d(lprt_metx,lprt_mety,k),k=1,met_ns)\n ELSE\n WRITE (*,f9400) TRIM(pname), 'SMOIS', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n CALL get_var_3d_real_cdf (cdfid, 'TSLB', dum3d_s, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n soilt1(1:nxm,1:nym) = dum3d_s(:,:,1)\n soilt1(met_nx,:) = soilt1(nxm,:)\n soilt1(:,met_ny) = soilt1(:,nym)\n WRITE (*,f6000) 'TSLB 1 ', soilt1(lprt_metx, lprt_mety), 'K'\n soilt2(1:nxm,1:nym) = dum3d_s(:,:,2)\n soilt2(met_nx,:) = soilt2(nxm,:)\n soilt2(:,met_ny) = soilt2(:,nym)\n WRITE (*,f6000) 'TSLB 2 ', soilt2(lprt_metx, lprt_mety), 'K'\n soit3d(1:nxm,1:nym,:) = dum3d_s(:,:,:)\n soit3d(met_nx,:,:) = soit3d(nxm,:,:)\n soit3d(:,met_ny,:) = soit3d(:,nym,:)\n WRITE (*,ifmt5) 'TSLB ', (soit3d(lprt_metx,lprt_mety,k),k=1,met_ns)\n ELSE\n WRITE (*,f9400) TRIM(pname), 'TSLB', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n ENDIF\n\n CALL get_var_2d_real_cdf (cdfid, 'TSK', dum2d, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n groundt(1:nxm,1:nym) = dum2d(:,:)\n groundt(met_nx,:) = groundt(nxm,:)\n groundt(:,met_ny) = groundt(:,nym)\n WRITE (*,f6000) 'TSK ', groundt(lprt_metx, lprt_mety), 'K'\n ELSE\n IF ( ifsoil ) THEN\n groundt(:,:) = soilt1(:,:)\n WRITE (*,f6000) 'TSK ', groundt(lprt_metx, lprt_mety), 'K'\n ELSE\n WRITE (*,f9400) TRIM(pname), 'TSK', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDIF\n\n CALL get_var_2d_real_cdf (cdfid, 'ALBEDO', dum2d, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n albedo(1:nxm,1:nym) = dum2d(:,:)\n albedo(met_nx,:) = albedo(nxm,:)\n albedo(:,met_ny) = albedo(:,nym)\n WRITE (*,f6000) 'ALBEDO ', albedo(lprt_metx, lprt_mety), 'fraction'\n ELSE\n WRITE (*,f9400) TRIM(pname), 'ALBEDO', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n IF ( first ) THEN\n IF ( iflufrc ) THEN\n IF ( ifluwrfout ) THEN ! land use fractions in WRF history file\n CALL get_var_3d_real_cdf (cdfid, 'LANDUSEF', dum3d_l, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n lufrac(1:nxm, 1:nym, :) = dum3d_l(:,:,:)\n lufrac( met_nx, :, :) = lufrac(nxm,:,:)\n lufrac( :, met_ny,:) = lufrac(:,nym,:)\n WRITE (*,ifmt2) 'LANDUSEF ', (lufrac(lprt_metx,lprt_mety,k),k=1,nummetlu)\n ELSE\n WRITE (*,f9400) TRIM(pname), 'LANDUSEF', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n IF ( iflu2wrfout ) THEN ! land use fractions (ranked) in WRF file\n CALL get_var_3d_real_cdf (cdfid, 'LANDUSEF2', dum3d_l, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n lufrac2(1:nxm, 1:nym, :) = dum3d_l(:,:,:)\n lufrac2( met_nx, :, :) = lufrac2(nxm,:,:)\n lufrac2( :, met_ny,:) = lufrac2(:,nym,:)\n WRITE (*,ifmt2) 'LANDUSEF2', (lufrac2(lprt_metx,lprt_mety,k),k=1,nummetlu)\n ELSE\n WRITE (*,f9400) TRIM(pname), 'LANDUSEF2', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n CALL get_var_3d_int_cdf (cdfid, 'MOSAIC_CAT_INDEX', dum3d_li, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n moscatidx(1:nxm, 1:nym, :) = dum3d_li(:,:,:)\n moscatidx( met_nx, :, :) = moscatidx(nxm,:,:)\n moscatidx( :, met_ny,:) = moscatidx(:,nym,:)\n WRITE (*,ifmt3) 'MOSAIC_CAT', (moscatidx(lprt_metx,lprt_mety,k),k=1,nummetlu)\n ELSE\n ! Will be filled in getluse.f90, if NOAH Mosaic LSM was used\n ENDIF\n ENDIF\n ELSE ! land use fractions in GEOGRID file from WPS\n flg = file_geo\n rcode = nf90_open (flg, nf90_nowrite, cdfidg)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9900) TRIM(pname)\n CALL graceful_stop (pname)\n ENDIF\n CALL get_var_3d_real_cdf (cdfidg, 'LANDUSEF', dum3d_l, 1, rcode)\n IF ( rcode == nf90_noerr ) THEN\n lufrac(1:nxm, 1:nym, :) = dum3d_l(:,:,:)\n lufrac( met_nx, :, :) = lufrac(nxm,:,:)\n lufrac( :, met_ny,:) = lufrac(:,nym,:)\n WRITE (*,ifmt2) 'LANDUSEF ', lufrac(lprt_metx,lprt_mety,:)\n ELSE\n WRITE (*,f9400) TRIM(pname), 'LANDUSEF', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n rcode = nf90_close (cdfidg)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9950) TRIM(pname)\n CALL graceful_stop (pname)\n ENDIF\n ENDIF\n ENDIF\n IF ( met_urban_phys >= 1 ) THEN ! urban canopy model used\n CALL get_var_2d_real_cdf (cdfid, 'FRC_URB2D', dum2d, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n frc_urb(1:nxm,1:nym) = dum2d(:,:)\n frc_urb(met_nx,:) = frc_urb(nxm,:)\n frc_urb(:,met_ny) = frc_urb(:,nym)\n WRITE (*,f6000) 'FRC_URB2D', frc_urb(lprt_metx, lprt_mety), 'fraction'\n ELSE\n WRITE (*,f9400) TRIM(pname), 'FRC_URB2D', TRIM(nf90_strerror(rcode))\n ENDIF\n ENDIF\n ENDIF\n\n IF ( ifznt ) THEN ! expecting roughness length in file\n CALL get_var_2d_real_cdf (cdfid, 'ZNT', dum2d, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n znt(1:nxm,1:nym) = dum2d(:,:)\n znt(met_nx,:) = znt(nxm,:)\n znt(:,met_ny) = znt(:,nym)\n WRITE (*,f6000) 'ZNT ', znt(lprt_metx, lprt_mety), 'm'\n gotznt = .TRUE.\n ELSE\n WRITE (*,f9400) TRIM(pname), 'ZNT ', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ELSE\n gotznt = .FALSE.\n ENDIF\n\n CALL get_var_2d_real_cdf (cdfid, 'SNOWC', dum2d, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n snowcovr(1:nxm,1:nym) = dum2d(:,:)\n snowcovr(met_nx,:) = snowcovr(nxm,:)\n snowcovr(:,met_ny) = snowcovr(:,nym)\n WRITE (*,f6000) 'SNOWC ', snowcovr(lprt_metx, lprt_mety), 'category'\n ELSE\n WRITE (*,f9400) TRIM(pname), 'SNOWC', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n CALL get_var_2d_real_cdf (cdfid, 'SEAICE', dum2d, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n seaice(1:nxm,1:nym) = dum2d(:,:)\n seaice(met_nx,:) = seaice(nxm,:)\n seaice(:,met_ny) = seaice(:,nym)\n gotseaice = .TRUE.\n WRITE (*,f6000) 'SEAICE ', seaice(lprt_metx, lprt_mety), 'fraction'\n ELSE\n WRITE (*,f9400) TRIM(pname), 'SEAICE', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n CALL get_var_2d_real_cdf (cdfid, 'SNOWH', dum2d, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n snowh(1:nxm,1:nym) = dum2d(:,:)\n snowh(met_nx,:) = snowh(nxm,:)\n snowh(:,met_ny) = snowh(:,nym)\n WRITE (*,f6000) 'SNOWH ', snowh(lprt_metx, lprt_mety), 'm'\n ELSE\n WRITE (*,f9400) TRIM(pname), 'SNOWH', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n IF ( ifpxwrf41 ) THEN\n\n CALL get_var_2d_real_cdf (cdfid, 'WSAT_PX', dum2d, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n wsat_px(1:nxm,1:nym) = dum2d(:,:)\n wsat_px(met_nx,:) = wsat_px(nxm,:)\n wsat_px(:,met_ny) = wsat_px(:,nym)\n WRITE (*,f6000) 'WSAT_PX ', wsat_px(lprt_metx, lprt_mety), 'm3 m-3'\n ELSE\n WRITE (*,f9400) TRIM(pname), 'WSAT_PX', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n CALL get_var_2d_real_cdf (cdfid, 'WFC_PX', dum2d, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n wfc_px(1:nxm,1:nym) = dum2d(:,:)\n wfc_px(met_nx,:) = wfc_px(nxm,:)\n wfc_px(:,met_ny) = wfc_px(:,nym)\n WRITE (*,f6000) 'WFC_PX ', wfc_px(lprt_metx, lprt_mety), 'm3 m-3'\n ELSE\n WRITE (*,f9400) TRIM(pname), 'WFC_PX', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n CALL get_var_2d_real_cdf (cdfid, 'WWLT_PX', dum2d, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n wwlt_px(1:nxm,1:nym) = dum2d(:,:)\n wwlt_px(met_nx,:) = wwlt_px(nxm,:)\n wwlt_px(:,met_ny) = wwlt_px(:,nym)\n WRITE (*,f6000) 'WWLT_PX ', wwlt_px(lprt_metx, lprt_mety), 'm3 m-3'\n ELSE\n WRITE (*,f9400) TRIM(pname), 'WWLT_PX', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n CALL get_var_2d_real_cdf (cdfid, 'CSAND_PX', dum2d, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n csand_px(1:nxm,1:nym) = dum2d(:,:)\n csand_px(met_nx,:) = csand_px(nxm,:)\n csand_px(:,met_ny) = csand_px(:,nym)\n WRITE (*,f6000) 'CSAND_PX ', csand_px(lprt_metx, lprt_mety), '1'\n ELSE\n WRITE (*,f9400) TRIM(pname), 'CSAND_PX', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n CALL get_var_2d_real_cdf (cdfid, 'FMSAND_PX', dum2d, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n fmsand_px(1:nxm,1:nym) = dum2d(:,:)\n fmsand_px(met_nx,:) = fmsand_px(nxm,:)\n fmsand_px(:,met_ny) = fmsand_px(:,nym)\n WRITE (*,f6000) 'FMSAND_PX', fmsand_px(lprt_metx, lprt_mety), '1'\n ELSE\n WRITE (*,f9400) TRIM(pname), 'FMSAND_PX', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n CALL get_var_2d_real_cdf (cdfid, 'CLAY_PX', dum2d, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n clay_px(1:nxm,1:nym) = dum2d(:,:)\n clay_px(met_nx,:) = clay_px(nxm,:)\n clay_px(:,met_ny) = clay_px(:,nym)\n WRITE (*,f6000) 'CLAY_PX ', clay_px(lprt_metx, lprt_mety), '1'\n ELSE\n WRITE (*,f9400) TRIM(pname), 'CLAY_PX', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n ENDIF\n\n IF ( ifmosaic ) THEN\n\n CALL get_var_3d_real_cdf (cdfid, 'LAI_MOSAIC', dum3d_m, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n lai_mos(1:nxm, 1:nym, :) = dum3d_m(:,:,:)\n lai_mos( met_nx, :, :) = lai_mos(nxm,:,:)\n lai_mos( :, met_ny,:) = lai_mos(:,nym,:)\n WRITE (*,ifmt4) 'LAI_MOS ', (lai_mos(lprt_metx,lprt_mety,k),k=1,nummosaic)\n ELSE\n WRITE (*,f9400) TRIM(pname), 'LAI_MOSAIC', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n CALL get_var_3d_real_cdf (cdfid, 'RS_MOSAIC', dum3d_m, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n rs_mos(1:nxm, 1:nym, :) = dum3d_m(:,:,:)\n rs_mos( met_nx, :, :) = rs_mos(nxm,:,:)\n rs_mos( :, met_ny,:) = rs_mos(:,nym,:)\n WRITE (*,ifmt4) 'RS_MOS ', (rs_mos(lprt_metx,lprt_mety,k),k=1,nummosaic)\n ELSE\n WRITE (*,f9400) TRIM(pname), 'RS_MOSAIC', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n CALL get_var_3d_real_cdf (cdfid, 'TSK_MOSAIC', dum3d_m, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n tsk_mos(1:nxm, 1:nym, :) = dum3d_m(:,:,:)\n tsk_mos( met_nx, :, :) = tsk_mos(nxm,:,:)\n tsk_mos( :, met_ny,:) = tsk_mos(:,nym,:)\n WRITE (*,ifmt4) 'TSK_MOS ', (tsk_mos(lprt_metx,lprt_mety,k),k=1,nummosaic)\n ELSE\n WRITE (*,f9400) TRIM(pname), 'TSK_MOSAIC', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n CALL get_var_3d_real_cdf (cdfid, 'ZNT_MOSAIC', dum3d_m, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n znt_mos(1:nxm, 1:nym, :) = dum3d_m(:,:,:)\n znt_mos( met_nx, :, :) = znt_mos(nxm,:,:)\n znt_mos( :, met_ny,:) = znt_mos(:,nym,:)\n WRITE (*,ifmt4) 'ZNT_MOS ', (znt_mos(lprt_metx,lprt_mety,k),k=1,nummosaic)\n ELSE\n WRITE (*,f9400) TRIM(pname), 'ZNT_MOSAIC', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n CALL get_var_2d_real_cdf (cdfid, 'WSPD', dum2d, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n wspdsfc(1:nxm,1:nym) = dum2d(:,:)\n wspdsfc(met_nx,:) = wspdsfc(nxm,:)\n wspdsfc(:,met_ny) = wspdsfc(:,nym)\n WRITE (*,f6000) 'WSPDSFC ', wspdsfc(lprt_metx, lprt_mety), 'm s-1'\n ELSE\n ! Original version was stored in \"WSPDSFC\"; released WRF code uses \"WSPD\"\n CALL get_var_2d_real_cdf (cdfid, 'WSPDSFC', dum2d, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n wspdsfc(1:nxm,1:nym) = dum2d(:,:)\n wspdsfc(met_nx,:) = wspdsfc(nxm,:)\n wspdsfc(:,met_ny) = wspdsfc(:,nym)\n WRITE (*,f6000) 'WSPDSFC ', wspdsfc(lprt_metx, lprt_mety), 'm s-1'\n ELSE\n WRITE (*,f9400) TRIM(pname), 'WSPDSFC', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDIF\n\n CALL get_var_2d_real_cdf (cdfid, 'XLAIDYN', dum2d, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n xlaidyn(1:nxm,1:nym) = dum2d(:,:)\n xlaidyn(met_nx,:) = xlaidyn(nxm,:)\n xlaidyn(:,met_ny) = xlaidyn(:,nym)\n WRITE (*,f6000) 'XLAIDYN ', xlaidyn(lprt_metx, lprt_mety), 'm2 m-2'\n ELSE\n WRITE (*,f9400) TRIM(pname), 'XLAIDYN', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n ENDIF ! ifmosaic\n\n IF ( ifkfradextras ) THEN ! Extra vars from KF scheme w radiative feedbacks\n\n CALL get_var_3d_real_cdf (cdfid, 'QC_CU', dum3d_t, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n qc_cu(1:nxm, 1:nym, :) = dum3d_t(:,:,:)\n qc_cu( met_nx, :, :) = qc_cu(nxm,:,:)\n qc_cu( :, met_ny,:) = qc_cu(:,nym,:)\n WRITE (*,ifmt1a) 'QC_CU ', (qc_cu(lprt_metx,lprt_mety,k),k=1,met_nz)\n ELSE\n WRITE (*,f9400) TRIM(pname), 'QC_CU', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n CALL get_var_3d_real_cdf (cdfid, 'QI_CU', dum3d_t, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n qi_cu(1:nxm, 1:nym, :) = dum3d_t(:,:,:)\n qi_cu( met_nx, :, :) = qi_cu(nxm,:,:)\n qi_cu( :, met_ny,:) = qi_cu(:,nym,:)\n WRITE (*,ifmt1a) 'QI_CU ', (qi_cu(lprt_metx,lprt_mety,k),k=1,met_nz)\n ELSE\n WRITE (*,f9400) TRIM(pname), 'QI_CU', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n CALL get_var_3d_real_cdf (cdfid, 'CLDFRA_DP', dum3d_t, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n cldfra_dp(1:nxm, 1:nym, :) = dum3d_t(:,:,:)\n cldfra_dp( met_nx, :, :) = cldfra_dp(nxm,:,:)\n cldfra_dp( :, met_ny,:) = cldfra_dp(:,nym,:)\n WRITE (*,ifmt1a) 'CLDFRA_DP', (cldfra_dp(lprt_metx,lprt_mety,k),k=1,met_nz)\n ELSE\n WRITE (*,f9400) TRIM(pname), 'CLDFRA_DP', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n CALL get_var_3d_real_cdf (cdfid, 'CLDFRA_SH', dum3d_t, it, rcode)\n IF ( rcode == nf90_noerr ) THEN\n cldfra_sh(1:nxm, 1:nym, :) = dum3d_t(:,:,:)\n cldfra_sh( met_nx, :, :) = cldfra_sh(nxm,:,:)\n cldfra_sh( :, met_ny,:) = cldfra_sh(:,nym,:)\n WRITE (*,ifmt1a) 'CLDFRA_SH', (cldfra_sh(lprt_metx,lprt_mety,k),k=1,met_nz)\n ELSE\n WRITE (*,f9400) TRIM(pname), 'CLDFRA_SH', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n ENDIF ! ifkfradextras\n\n CALL get_var_1d_real_cdf (cdfid, 'ZNU', sigmah, it, rcode)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9400) TRIM(pname), 'ZNU', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n CALL get_var_1d_real_cdf (cdfid, 'ZNW', sigmaf, it, rcode)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9400) TRIM(pname), 'ZNW', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n IF ( met_hybrid >= 0 ) THEN\n\n CALL get_var_1d_real_cdf (cdfid, 'C1F', c1f, it, rcode)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9400) TRIM(pname), 'C1F', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n CALL get_var_1d_real_cdf (cdfid, 'C1H', c1h, it, rcode)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9400) TRIM(pname), 'C1H', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n CALL get_var_1d_real_cdf (cdfid, 'C2F', c2f, it, rcode)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9400) TRIM(pname), 'C2F', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n CALL get_var_1d_real_cdf (cdfid, 'C2H', c2h, it, rcode)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9400) TRIM(pname), 'C2H', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n ENDIF\n\n\n CALL get_var_1d_real_cdf (cdfid, 'DZS', dzs, it, rcode)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9400) TRIM(pname), 'DZS', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n!-------------------------------------------------------------------------------\n! If this is the first time in this routine, then get latitude, longitude, and\n! map-scale factors on dot points.\n!-------------------------------------------------------------------------------\n\n IF ( first ) THEN\n\n ! Compute distance from origin (at reflat, standlon) to domain center, and\n ! store in MET_XXCTR and MET_YYCTR. Then calculate latitude, longitude,\n ! and map-scale factors using offset distance of given grid point from\n ! center of domain.\n\n SELECT CASE ( met_mapproj )\n\n CASE (1) ! Lambert conformal\n\n xoff = 0.0 ! dot-point grid: no offset from dot-point center value\n yoff = 0.0 ! dot-point grid: no offset from dot-point center value\n\n DO j = 1, met_ny\n DO i = 1, met_nx\n\n xxin = met_xxctr - &\n ( met_rictr_dot - (FLOAT(i) + xoff) ) * met_resoln\n\n yyin = met_yyctr - &\n ( met_rjctr_dot - (FLOAT(j) + yoff) ) * met_resoln\n\n CALL xy2ll_lam (xxin, yyin, met_tru1, met_tru2, met_proj_clon, &\n met_ref_lat, latdot(i,j), londot(i,j))\n\n mapdot(i,j) = mapfac_lam (latdot(i,j), met_tru1, met_tru2)\n\n ENDDO\n ENDDO\n\n IF ( .NOT. gotfaces ) THEN ! get lat, lon, map-scale factor on faces\n\n xoff = 0.0 ! U-face: no offset in X from dot-point center value\n yoff = 0.5 ! U-face: 0.5-cell offset in Y from dot-point center value\n\n DO j = 1, met_ny ! use all Y to fill array; last row outside domain\n DO i = 1, met_nx\n\n xxin = met_xxctr - &\n ( met_rictr_dot - (FLOAT(i) + xoff) ) * met_resoln\n\n yyin = met_yyctr - &\n ( met_rjctr_dot - (FLOAT(j) + yoff) ) * met_resoln\n\n CALL xy2ll_lam (xxin, yyin, met_tru1, met_tru2, met_proj_clon, &\n met_ref_lat, latu(i,j), lonu(i,j))\n\n mapu(i,j) = mapfac_lam (latu(i,j), met_tru1, met_tru2)\n\n ENDDO\n ENDDO\n\n xoff = 0.5 ! V-face: 0.5-cell offset in X from dot-point center value\n yoff = 0.0 ! V-face: no offset in Y from dot-point center value\n\n DO j = 1, met_ny\n DO i = 1, met_nx ! use all X to fill array; last col outside domain\n\n xxin = met_xxctr - &\n ( met_rictr_dot - (FLOAT(i) + xoff) ) * met_resoln\n\n yyin = met_yyctr - &\n ( met_rjctr_dot - (FLOAT(j) + yoff) ) * met_resoln\n\n CALL xy2ll_lam (xxin, yyin, met_tru1, met_tru2, met_proj_clon, &\n met_ref_lat, latv(i,j), lonv(i,j))\n\n mapv(i,j) = mapfac_lam (latv(i,j), met_tru1, met_tru2)\n\n ENDDO\n ENDDO\n\n ENDIF\n\n\n CASE (2) ! polar stereographic\n\n DO j = 1, met_ny\n DO i = 1, met_nx\n\n ! Use four-point interpolation here for latitude and longitude.\n ! Because CMAQ will never use outermost row and column from WRF\n ! due to location of CMAQ boundaries, inexact values in the\n ! outermost row and column will not matter.\n\n ii = MIN(i,nxm)\n jj = MIN(j,nym)\n\n im1 = MIN(i-1,1)\n jm1 = MIN(j-1,1)\n\n latdot(i,j) = ( latcrs(im1,jj) + latcrs(ii,jj) + &\n latcrs(im1,jm1) + latcrs(ii,jm1) ) * 0.25\n\n londot(i,j) = ( loncrs(im1,jj) + loncrs(ii,jj) + &\n loncrs(im1,jm1) + loncrs(ii,jm1) ) * 0.25\n\n mapdot(i,j) = mapfac_ps (latdot(i,j), met_tru1)\n\n ENDDO\n ENDDO\n\n IF ( .NOT. gotfaces ) THEN ! get lat, lon, map-scale factor on faces\n\n DO j = 1, met_ny\n DO i = 1, met_nx\n\n ! Use linear interpolation here for latitude and longitude.\n ! Because CMAQ will never use outermost row and column from WRF\n ! due to location of CMAQ boundaries, inexact values in the\n ! outermost row and column will not matter.\n\n ii = MIN(i,nxm)\n jj = MIN(j,nym)\n\n im1 = MIN(i-1,1)\n jm1 = MIN(j-1,1)\n\n latu(i,j) = ( latcrs(im1,jj) + latcrs(ii,jj) ) * 0.5\n lonu(i,j) = ( loncrs(im1,jj) + loncrs(ii,jj) ) * 0.5\n mapu(i,j) = mapfac_ps (latu(i,j), met_tru1)\n\n latv(i,j) = ( latcrs(ii,jm1) + latcrs(ii,jj) ) * 0.5\n lonv(i,j) = ( loncrs(ii,jm1) + loncrs(ii,jj) ) * 0.5\n mapv(i,j) = mapfac_ps (latv(i,j), met_tru1)\n\n ENDDO\n ENDDO\n\n ENDIF\n\n\n CASE (3) ! Mercator\n\n xoff = 0.0 ! dot-point grid: no offset from dot-point center value\n yoff = 0.0 ! dot-point grid: no offset from dot-point center value\n\n DO j = 1, met_ny\n DO i = 1, met_nx\n\n xxin = met_xxctr - &\n ( met_rictr_dot - (FLOAT(i) + xoff) ) * met_resoln\n\n yyin = met_yyctr - &\n ( met_rjctr_dot - (FLOAT(j) + yoff) ) * met_resoln\n\n CALL xy2ll_merc (xxin, yyin, met_proj_clon, &\n latdot(i,j), londot(i,j))\n\n mapdot(i,j) = mapfac_merc (latdot(i,j))\n\n ENDDO\n ENDDO\n\n IF ( .NOT. gotfaces ) THEN ! get lat, lon, map-scale factor on faces\n\n xoff = 0.0 ! U-face: no offset in X from dot-point center value\n yoff = 0.5 ! U-face: 0.5-cell offset in Y from dot-point center value\n\n DO j = 1, met_ny ! use all Y to fill array; last row outside domain\n DO i = 1, met_nx\n\n xxin = met_xxctr - &\n ( met_rictr_dot - (FLOAT(i) + xoff) ) * met_resoln\n\n yyin = met_yyctr - &\n ( met_rjctr_dot - (FLOAT(j) + yoff) ) * met_resoln\n\n CALL xy2ll_merc (xxin, yyin, met_proj_clon, &\n latu(i,j), lonu(i,j))\n\n mapu(i,j) = mapfac_merc (latu(i,j))\n\n ENDDO\n ENDDO\n\n xoff = 0.5 ! V-face: 0.5-cell offset in X from dot-point center value\n yoff = 0.0 ! V-face: no offset in Y from dot-point center value\n\n DO j = 1, met_ny\n DO i = 1, met_nx ! use all X to fill array; last col outside domain\n\n xxin = met_xxctr - &\n ( met_rictr_dot - (FLOAT(i) + xoff) ) * met_resoln\n\n yyin = met_yyctr - &\n ( met_rjctr_dot - (FLOAT(j) + yoff) ) * met_resoln\n\n CALL xy2ll_merc (xxin, yyin, met_proj_clon, &\n latv(i,j), lonv(i,j))\n\n mapv(i,j) = mapfac_merc (latv(i,j))\n\n ENDDO\n ENDDO\n\n ENDIF\n\n\n END SELECT\n\n ENDIF\n\n!-------------------------------------------------------------------------------\n! If this is the first time in this routine and potential vorticity scaling\n! will be used in CMAQ, then calculate the Coriolis parameter.\n!-------------------------------------------------------------------------------\n\n IF ( first .AND. lpv > 0 ) THEN\n\n pi = 4.0 * ATAN(1.0)\n deg2rad = pi / 180.0\n\n DO j = 1, nym\n DO i = 1, nxm\n!!! coriolis(i,j) = twoomega * SIND(latcrs(i,j))\n latrad = latcrs(i,j) * deg2rad\n coriolis(i,j) = twoomega * SIN(latrad)\n ENDDO\n ENDDO\n\n coriolis(met_nx,:) = coriolis(nxm,:)\n coriolis(:,met_ny) = coriolis(:,nym)\n\n ENDIF\n\n!-------------------------------------------------------------------------------\n! If this is the first time in this routine, then determine season.\n!-------------------------------------------------------------------------------\n\n IF ( first ) THEN\n\n ! These seasons are used in MM5 and WRF for land-use lookup tables.\n\n startseas = met_startdate(1:4) // \"-04-15-00:00:00\"\n endseas = met_startdate(1:4) // \"-10-15-00:00:00\"\n\n CALL geth_idts (met_startdate(1:19), startseas, idts_start)\n CALL geth_idts (endseas, met_startdate(1:19), idts_end)\n\n IF ( ( idts_start < 0 ) .OR. ( idts_end < 0 ) ) THEN\n IF ( met_cen_lat >= 0.0 ) THEN ! Northern Hemisphere\n met_season = 2 ! winter\n ELSE ! Southern Hemisphere\n met_season = 1 ! summer\n ENDIF\n ELSE\n IF ( met_cen_lat >= 0.0 ) THEN ! Northern Hemisphere\n met_season = 1 ! summer\n ELSE ! Southern Hemisphere\n met_season = 2 ! winter\n ENDIF\n ENDIF\n\n!-------------------------------------------------------------------------------\n! If roughness length was not available in output, fill it from lookup tables.\n! If the urban model was used in WRF, replace roughness length with urban-\n! specific arrays.\n!-------------------------------------------------------------------------------\n\n IF ( .NOT. gotznt ) THEN\n\n IF ( met_season == 1 ) THEN ! summer\n\n DO j = 1, nym\n DO i = 1, nxm\n IF ( ( met_lu_src(1:4) == \"USGS\" ) .AND. &\n ( met_lu_water == 16 ) ) THEN\n znt(i,j) = sfz0usgssum(landuse(i,j)) * 0.01 ! cm --> m\n ELSE IF ( ( met_lu_src(1:3) == \"OLD\" ) .AND. &\n ( met_lu_water == 7 ) ) THEN\n znt(i,j) = sfz0oldsum(landuse(i,j)) * 0.01 ! cm --> m\n ELSE IF ( met_lu_src(1:6) == \"NLCD50\" ) THEN\n znt(i,j) = sfz0nlcd50sum(landuse(i,j)) * 0.01 ! cm --> m\n ELSE IF ( met_lu_src(1:6) == \"NLCD40\" ) THEN\n znt(i,j) = sfz0nlcd40sum(landuse(i,j)) * 0.01 ! cm --> m\n ELSE IF ( met_lu_src(1:3) == \"SIB\" ) THEN\n znt(i,j) = sfz0sibsum(landuse(i,j)) * 0.01 ! cm --> m\n ELSE IF ( met_lu_src(1:3) == \"MOD\" ) THEN\n znt(i,j) = sfz0modsum(landuse(i,j)) * 0.01 ! cm --> m\n ELSE\n WRITE (*,f9700) TRIM(pname), met_lu_src, met_lu_water\n CALL graceful_stop (pname)\n ENDIF\n ENDDO\n ENDDO\n\n ELSE IF ( met_season == 2 ) THEN ! winter\n\n DO j = 1, nym\n DO i = 1, nxm\n IF ( ( met_lu_src(1:4) == \"USGS\" ) .AND. &\n ( met_lu_water == 16 ) ) THEN\n znt(i,j) = sfz0usgswin(landuse(i,j)) * 0.01 ! cm --> m\n ELSE IF ( ( met_lu_src(1:3) == \"OLD\" ) .AND. &\n ( met_lu_water == 7 ) ) THEN\n znt(i,j) = sfz0oldwin(landuse(i,j)) * 0.01 ! cm --> m\n ELSE IF ( met_lu_src(1:6) == \"NLCD50\" ) THEN\n znt(i,j) = sfz0nlcd50win(landuse(i,j)) * 0.01 ! cm --> m\n ELSE IF ( met_lu_src(1:6) == \"NLCD40\" ) THEN\n znt(i,j) = sfz0nlcd40win(landuse(i,j)) * 0.01 ! cm --> m\n ELSE IF ( met_lu_src(1:3) == \"SIB\" ) THEN\n znt(i,j) = sfz0sibwin(landuse(i,j)) * 0.01 ! cm --> m\n ELSE IF ( met_lu_src(1:3) == \"MOD\" ) THEN\n znt(i,j) = sfz0modwin(landuse(i,j)) * 0.01 ! cm --> m\n ELSE\n WRITE (*,f9700) TRIM(pname), met_lu_src, met_lu_water\n CALL graceful_stop (pname)\n ENDIF\n ENDDO\n ENDDO\n\n ENDIF\n\n znt(:,met_ny) = znt(:,nym)\n znt(met_nx,:) = znt(nxm,:)\n\n IF ( met_urban_phys < 1 ) THEN ! if UCM, write after urban update\n WRITE (*,f6000) 'ZNT ', znt (lprt_metx, lprt_mety), 'm'\n ENDIF\n\n ENDIF\n\n first = .FALSE.\n\n ENDIF\n\n!-------------------------------------------------------------------------------\n! If sea ice was not part of the output, set flag to compute it later\n! in METVARS2CTM.\n!-------------------------------------------------------------------------------\n\n IF ( .NOT. gotseaice ) THEN\n WRITE (*,f9975) TRIM(pname), 'SEAICE'\n needseaice = .TRUE.\n ELSE\n needseaice = .FALSE.\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Deallocate arrays.\n!-------------------------------------------------------------------------------\n\n! DEALLOCATE ( dum2d ) ! commented out to avoid memory fragmentation\n! DEALLOCATE ( dum2d_i ) ! commented out to avoid memory fragmentation\n! DEALLOCATE ( dum2d_u ) ! commented out to avoid memory fragmentation\n! DEALLOCATE ( dum2d_v ) ! commented out to avoid memory fragmentation\n! DEALLOCATE ( dum3d_l ) ! commented out to avoid memory fragmentation\n! DEALLOCATE ( dum3d_li ) ! commented out to avoid memory fragmentation\n! DEALLOCATE ( dum3d_m ) ! commented out to avoid memory fragmentation\n! DEALLOCATE ( dum3d_p ) ! commented out to avoid memory fragmentation\n! DEALLOCATE ( dum3d_s ) ! commented out to avoid memory fragmentation\n! DEALLOCATE ( dum3d_t ) ! commented out to avoid memory fragmentation\n! DEALLOCATE ( dum3d_u ) ! commented out to avoid memory fragmentation\n! DEALLOCATE ( dum3d_v ) ! commented out to avoid memory fragmentation\n! DEALLOCATE ( dum3d_w ) ! commented out to avoid memory fragmentation\n \nEND SUBROUTINE rdwrfem\n" }, { "path": "PREP/mcip/src/readnml.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nSUBROUTINE readnml\n\n!-------------------------------------------------------------------------------\n! Name: Read Namelist\n! Purpose: Reads input namelist to get user control variables.\n! Revised: 21 Sep 2001 Original version. (T. Otte)\n! 16 Oct 2001 Added variable COORDNAM to namelist USERDEFS.\n! Created new namelist WINDOWDEFS, and moved I0 and J0\n! from USERDEFS to WINDOWDEFS. Changed code related\n! to I0 and J0 accordingly. Changed relationship\n! between I0 and J0 and BTRIM. (T. Otte)\n! 07 Jan 2002 Added explicit read of input meteorology files through\n! the namelist to improved portability. (T. Otte and\n! S. Howard)\n! 09 Jan 2002 Changed calls to \"abort\" to calls to \"m3exit\" for\n! graceful shut-down of I/O API files. (T. Otte)\n! 27 Feb 2002 Removed minimum grid size for windows. (T. Otte)\n! 19 Mar 2002 Added error-handling on OPEN and READ statements.\n! (T. Otte and S. Howard)\n! 10 Aug 2004 Added flag to create static output (grid) files.\n! Removed LUTYPE from USERDEFS namelist. (T. Otte)\n! 29 Nov 2004 Added optional input MM5 \"TERRAIN\" file to get\n! fractional land use fields. (T. Otte)\n! 26 May 2005 Removed NDX and CTM2MET and option to interpolate\n! to finer scale meteorology. Removed I0LUSE, J0LUSE,\n! and BMAX, which are no longer used. Removed NDEP and\n! made its usage explicit in PBLPKG and RADMDRY.\n! Removed IWIND and made its usage explicit in VERTHYD.\n! Changed I0 and J0 to Y0 and X0 to make code more\n! general. Added two new user options for LDDEP, and\n! inserted calculation of LTOTG. Removed \"no_file\"\n! option on FILE_MM. Added capability to use vertical\n! structure from input meteorology file without\n! specifying a priori via namelist. (T. Otte)\n! 24 Jul 2007 Added option LDDEP=0 to indicate that dry deposition\n! velocities will be computed outside MCIP. Changed\n! code so that M3Dry with chlorine and mercury is the\n! only option to compute dry deposition velocities in\n! MCIP. Removed user option variables LPBL, LRAD, LCLD,\n! and LHYDOUT. (T. Otte)\n! 29 Apr 2008 Added earth radius in meters (ERADM) to the USERDEFS\n! namelist. Use ERADM to compute values in CONST_MOD\n! that were formerly set as F90 parameters. (T. Otte)\n! Added user option to process satellite data for use\n! in photolysis in CMAQ. Added FILE_SAT to FILENAMES\n! namelist, and added LSAT to USERDEFS namelist.\n! Contributed by University of Alabama at Huntsville.\n! (A. Biazar and T. Otte)\n! 23 Dec 2008 Added user-definable reference latitude for WRF\n! Lambert conformal data sets. Best used for\n! consistency with existing MM5 data sets. (T. Otte)\n! 23 Sep 2009 Added user option to compute and output 3D field of\n! potential vorticity. Added user option to output\n! vertical velocity predicted by the meteorological\n! model. Added user option to output u- and v-\n! component winds on C-staggered grid. (T. Otte)\n! 09 Sep 2010 Removed option to compute dry deposition velocities\n! in MCIP. (T. Otte)\n! 29 Aug 2011 Changed name of module FILE to FILES to avoid conflict\n! with F90 protected intrinsic. Improved error\n! handling. (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n! 18 Dec 2018 Removed support for MM5v3 input. Added runtime option\n! to choose output format. Removed runtime option to\n! not output time-independent files. (T. Spero)\n! 17 Jun 2019 Removed layer collapsing. Changed variable LUVCOUT to\n! LUVBOUT to reflect that the default 3D wind components\n! are on the Arakawa-C staggered grid, and the optional\n! additional 3D winds are now on the Arakawa-B staggered\n! grid. (T. Spero)\n!-------------------------------------------------------------------------------\n\n USE mcipparm\n USE const, ONLY: rearth, dg2m, pi180\n USE files\n\n IMPLICIT NONE\n\n INTEGER :: btrim\n INTEGER :: hh\n INTEGER :: istat\n INTEGER :: mm\n INTEGER :: n\n INTEGER :: ncolsin\n INTEGER :: nrowsin\n CHARACTER(LEN=16), PARAMETER :: pname = 'READNML'\n\n NAMELIST /filenames/ file_gd, file_mm, file_geo, ioform\n\n NAMELIST /userdefs/ lpv, lwout, luvbout, &\n eradm, mcip_start, mcip_end, intvl, &\n coordnam, grdnam, &\n btrim, lprt_col, lprt_row, &\n wrf_lc_ref_lat\n\n NAMELIST /windowdefs/ x0, y0, ncolsin, nrowsin\n\n!-------------------------------------------------------------------------------\n! Error, warning, and informational messages.\n!-------------------------------------------------------------------------------\n\n CHARACTER(LEN=256), PARAMETER :: f9000 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** ERROR OPENING NAMELIST FILE ON UNIT ', i3, &\n & /, 1x, '*** NAMELIST FILE NAME = ', a, &\n & /, 1x, '*** IOSTAT = ', i4, &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9050 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** ERROR READING NAMELIST FILE ON UNIT ', i3, &\n & /, 1x, '*** NAMELIST FILE NAME = ', a, &\n & /, 1x, '*** NAMELIST = ', a, &\n & /, 1x, '*** IOSTAT = ', i4, &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9300 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** Invalid value of ', a, ' :', i4, &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9400 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** Invalid value of ERADM:', f12.3, &\n & /, 1x, '*** Verify that input value is in meters', &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9500 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** Invalid value of WRF_LC_REF_LAT', &\n & /, 1x, '*** Value from namelist is ', f12.3, &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9600 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** Start date must be before end date', &\n & /, 1x, '*** Input MCIP_START = ', a, &\n & /, 1x, '*** Input MCIP_END = ', a, &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9650 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** Invalid coordinates for cell for diagnostics', &\n & /, 1x, '*** Input LPRT_COL and LPRT_ROW are ', i4, 2x, i4, &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9950 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** Minimum value for X0 and Y0 is 1', &\n & /, 1x, '*** User input X0 and Y0: ', 2(1x, i4), &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9975 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** Minimum value for NCOLS and NROWS is 1', &\n & /, 1x, '*** User input NCOLS and NROWS: ', 2(1x, i4), &\n & /, 1x, 70('*'))\"\n\n!-------------------------------------------------------------------------------\n! Open namelist file.\n!-------------------------------------------------------------------------------\n\n OPEN (iutnml, FILE=file_nml, STATUS='OLD', IOSTAT=istat)\n\n IF ( istat > 0 ) THEN\n WRITE (*,f9000) TRIM(pname), iutnml, TRIM(file_nml), istat\n CALL graceful_stop (pname)\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Initialize input file names.\n!-------------------------------------------------------------------------------\n\n file_gd = \"GRIDDESC\"\n file_mm(:) = \" \"\n file_geo = \" \"\n\n!-------------------------------------------------------------------------------\n! Set default value for user-selected options.\n!\n! LPV: 0 = Do not compute and output 3D potential vorticity\n! 1 = Compute and output 3D potential vorticity\n!\n! LWOUT: 0 = Do not output vertical velocity\n! 1 = Output vertical velocity\n!\n! LUVBOUT: 0 = Do not output u- and v-component winds on B-staggered grid\n! 1 = Output u- and v-component winds on B-staggered grid\n! in addition to the C-staggered grid\n!\n! IOFORM: 1 = Models-3 I/O API\n! 2 = netCDF\n!-------------------------------------------------------------------------------\n\n lpv = 0\n lwout = 0\n luvbout = 0\n ioform = 1\n\n!-------------------------------------------------------------------------------\n! Set default value for earth radius in meters (ERADM). The default value is\n! consistent with the value used for a spherical earth in MM5 and in WRF-ARW.\n!-------------------------------------------------------------------------------\n\n eradm = 6370000.0 ! [m]\n\n!-------------------------------------------------------------------------------\n! Set default reference latitude for WRF Lambert conformal data sets.\n!-------------------------------------------------------------------------------\n\n wrf_lc_ref_lat = -999.9\n\n!-------------------------------------------------------------------------------\n! Set default date.\n!-------------------------------------------------------------------------------\n\n mcip_start = '0000-00-00-00:00:00.0000'\n mcip_end = '0000-00-00-00:00:00.0000'\n intvl = 0\n \n!-------------------------------------------------------------------------------\n! Set coordinates for cell to print diagnostic output. If 0 is set,\n! domain center cell will be used.\n!-------------------------------------------------------------------------------\n\n lprt_col = 0\n lprt_row = 0\n\n!-------------------------------------------------------------------------------\n! Set default meteorology \"boundary\" point removal to 5.\n!-------------------------------------------------------------------------------\n\n btrim = 5\n\n!-------------------------------------------------------------------------------\n! Initialize COORDNAM and GRDNAM to missing values.\n!-------------------------------------------------------------------------------\n\n coordnam = \"????????????????\"\n grdnam = \"????????????????\"\n\n!-------------------------------------------------------------------------------\n! Set default values for coordinate of full MCIP \"X\" domain (including MCIP\n! lateral boundary) lower-left corner with respect to the input meteorology\n! domain. Minimum acceptable value is 1. X0 is the column offset, and Y0 is\n! the row offset.\n!-------------------------------------------------------------------------------\n\n x0 = 1\n y0 = 1\n\n!-------------------------------------------------------------------------------\n! Set default values for window size. (20 is arbitrary...just want to prevent\n! \"very small\" domains.)\n!-------------------------------------------------------------------------------\n\n ncolsin = 20\n nrowsin = 20\n\n!-------------------------------------------------------------------------------\n! Read namelist to get user definitions. Rewind namelist file after each\n! read in case namelists are not in the correct order in the namelist.\n!-------------------------------------------------------------------------------\n\n READ (iutnml, filenames, IOSTAT=istat)\n IF ( istat > 0 ) THEN\n WRITE (*,f9050) TRIM(pname), iutnml, TRIM(file_nml), \"filenames\", istat\n CALL graceful_stop (pname)\n ENDIF\n REWIND (iutnml)\n\n READ (iutnml, userdefs, IOSTAT=istat)\n IF ( istat > 0 ) THEN\n WRITE (*,f9050) TRIM(pname), iutnml, TRIM(file_nml), \"userdefs\", istat\n CALL graceful_stop (pname)\n ENDIF\n REWIND (iutnml)\n\n IF ( btrim < 0 ) THEN\n READ (iutnml, windowdefs, IOSTAT=istat)\n IF ( istat > 0 ) THEN\n WRITE (*,f9050) TRIM(pname), iutnml, TRIM(file_nml), \"windowdefs\", istat\n CALL graceful_stop (pname)\n ENDIF\n REWIND (iutnml)\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Crop blank spaces off ends of file names.\n!-------------------------------------------------------------------------------\n\n file_gd = TRIM( ADJUSTL(file_gd) )\n\n DO n = 1, SIZE(file_mm)\n file_mm(n) = TRIM( ADJUSTL( file_mm(n) ) )\n ENDDO\n\n file_geo = TRIM( ADJUSTL(file_geo) )\n IF ( file_geo(1:7) == \"no_file\" ) file_geo = \" \"\n\n!-------------------------------------------------------------------------------\n! Verify values of user-defined options.\n!-------------------------------------------------------------------------------\n\n IF ( ( lpv /= 0 ) .AND. ( lpv /= 1 ) ) THEN\n WRITE (*,f9300) TRIM(pname), \"LPV\", lpv\n CALL graceful_stop (pname)\n ENDIF\n\n IF ( ( lwout /= 0 ) .AND. ( lwout /= 1 ) ) THEN\n WRITE (*,f9300) TRIM(pname), \"LWOUT\", lwout\n CALL graceful_stop (pname)\n ENDIF\n\n IF ( ( luvbout /= 0 ) .AND. ( luvbout /= 1 ) ) THEN\n WRITE (*,f9300) TRIM(pname), \"LUVBOUT\", luvbout\n CALL graceful_stop (pname)\n ENDIF\n\n IF ( ( ioform /= 1 ) .AND. ( ioform /= 2 ) ) THEN\n WRITE (*,f9300) TRIM(pname), \"IOFORM\", ioform\n CALL graceful_stop (pname)\n ENDIF\n\n IF ( eradm < 6000000.0 ) THEN ! user probably input km instead of meters\n WRITE (*,f9400) TRIM(pname), eradm\n CALL graceful_stop (pname)\n ELSE\n rearth = eradm ! fill value in CONST_MOD\n dg2m = rearth * pi180 ! fill value in CONST_MOD now that REARTH is known\n ENDIF\n\n IF ( ( ( wrf_lc_ref_lat > 90.0 ) .OR. ( wrf_lc_ref_lat < -90.0 ) ) .AND. &\n ( wrf_lc_ref_lat > -999.0 ) ) THEN\n WRITE (*,f9500) TRIM(pname), wrf_lc_ref_lat\n CALL graceful_stop (pname)\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Set start and end dates. Ensure that \"special characters\" that separate\n! components of date are set correctly. If these are not set properly, the\n! lexical time comparisons in the driver (mcip.f90) will not work properly.\n!-------------------------------------------------------------------------------\n\n mcip_start( 5: 5) = \"-\" ; mcip_end ( 5: 5) = \"-\"\n mcip_start( 8: 8) = \"-\" ; mcip_end ( 8: 8) = \"-\"\n mcip_start(11:11) = \"-\" ; mcip_end (11:11) = \"-\"\n mcip_start(14:14) = \":\" ; mcip_end (14:14) = \":\"\n mcip_start(17:24) = \":00.0000\" ; mcip_end (17:24) = \":00.0000\"\n\n IF ( mcip_start > mcip_end ) THEN\n WRITE (*,f9600) TRIM(pname), mcip_start, mcip_end\n CALL graceful_stop (pname)\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Ensure that cell coordinates for diagnostic output are not negative.\n!-------------------------------------------------------------------------------\n\n IF ( ( lprt_col < 0 ) .OR. ( lprt_row < 0 ) ) THEN\n WRITE (*,f9650) TRIM(pname), lprt_col, lprt_row\n CALL graceful_stop (pname)\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Store meteorology boundary removal in MCIPPARM. If not windowing, set\n! coordinate of lower-left corner of output domain with respect to\n! input meteorology domain. If windowing, ensure that I0 and J0 are\n! not too small.\n!-------------------------------------------------------------------------------\n\n nbdrytrim = btrim\n\n IF ( nbdrytrim >= 0 ) THEN\n x0 = nbdrytrim + 1\n y0 = nbdrytrim + 1\n ENDIF\n\n IF ( ( x0 < 1 ) .OR. ( y0 < 1 ) ) THEN\n WRITE (*,f9950) TRIM(pname), x0, y0\n CALL graceful_stop (pname)\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Verify that user-defined number of rows and columns is not less than 1.\n! If windowing, use the user-defined input to set NCOLS and NROWS.\n!-------------------------------------------------------------------------------\n\n IF ( ( ncolsin >= 1 ) .AND. ( nrowsin >= 1 ) ) THEN\n IF ( nbdrytrim < 0 ) THEN\n ncols = ncolsin\n nrows = nrowsin\n ENDIF\n ELSE\n WRITE (*,f9975) TRIM(pname), ncolsin, nrowsin\n CALL graceful_stop (pname)\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Calculate GRSTEP from INTVL. GRSTEP is in STIME format (HHMMSS).\n! Assume SS is 0.\n!-------------------------------------------------------------------------------\n\n hh = INT(intvl / 60)\n mm = MOD(intvl, 60)\n\n grstep = ( hh * 10000 ) + ( mm * 100 )\n\n!-------------------------------------------------------------------------------\n! Close namelist file.\n!-------------------------------------------------------------------------------\n\n CLOSE (iutnml)\n\nEND SUBROUTINE readnml\n" }, { "path": "PREP/mcip/src/resistcalc.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nSUBROUTINE resistcalc\n\n!-------------------------------------------------------------------------------\n! Name: Resistance Calculation\n! Purpose: Calculates aerodynamic and stomatal resistances required\n! to compute dry deposition velocities.\n! Notes: Does not include effects of seasons. Assumed maximum leaf area\n! index for each land use category.\n! Revised: 18 Sep 2001 Original version. (J. Pleim and T. Otte)\n! 21 Dec 2001 Added IMPLICIT NONE and missing variable\n! declarations. (S. Howard and T. Otte)\n! 23 Jan 2002 Changed missing value on XRADYN and XRSTOM to\n! BADVAL3. (T. Otte)\n! 07 Feb 2002 Changed logic to define water point using dominant\n! land use category. (T. Otte)\n! 10 Jun 2003 Changed definition of F2 to be based on land use\n! category. Changed variable name GS to GSFC to avoid\n! confusion with (future) variable GS in MCIPPARM.\n! Added snow condition to calculation of saturation\n! vapor pressure. (J. Pleim and T. Otte)\n! 07 Jul 2004 Removed XFLAGS. (T. Otte)\n! 09 Mar 2005 Removed unused variable W2AVAIL. (T. Otte)\n! 14 Jul 2006 Removed unused variables W2MXAV and WSAT. Use\n! land-water mask instead of dominant land use category\n! to determine water points. (T. Otte)\n! 10 Apr 2007 Changed USTAR and RADYN to 2D arrays without a\n! dimension for fractional land use that was required\n! for RADMdry. Removed dependency on module LRADMDAT.\n! Added condition to set RADYN and RSTOM to BADVAL3 if\n! USTAR is 0.0 (presumably at the beginning of a\n! meteorology run) to prevent division by zero. Moved\n! land-use-based filling of F2 and RSTMIN from subroutine\n! METVARS2CTM. (T. Otte)\n! Changed Schmidt number for water from 0.599 to 0.606\n! to be consistent with m3dry. (J. Bash and T. Otte)\n! 28 Apr 2008 Expanded lookup tables for stomatal resistance and F2\n! to accommodate 33-category USGS in WRF. (T. Otte)\n! 23 Sep 2009 Added lookup tables for stomatal resistance and F2 to\n! accommodate MODIS-NOAH and NLCD-MODIS land use\n! classification systems. (T. Otte)\n! 01 Sep 2011 Replaced module PARMS3 with I/O API module M3UTILIO.\n! Improved error handling. Changed DATA statements to\n! parameters. (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n! 11 Sep 2012 Added handling for 40-category 2006 NLCD-MODIS land\n! use classification as \"NLCD40\". Added alternate name\n! for 50-category 2001 NLCD-MODIS land use classification\n! as \"NLCD50\". Changed F2DEFNLC and RSTNLC to\n! F2DEFNLCD50 and RSTNLCD50. Added analogous arrays for\n! NLCD40. Values for RST are taken from WRFv3.4\n! module_sf_pxlsm_data.F. F2 values for NLCD40 are\n! adapted from F2 values for NLCD50. (T. Otte)\n! 21 Apr 2017 Updated F2 for MODIS for category 21 as \"Lake\".\n! (T. Spero)\n! 26 Jun 2018 Now use netCDF tokens for missing data. (T. Spero)\n!-------------------------------------------------------------------------------\n\n USE mcipparm\n USE const\n USE const_pbl\n USE xvars\n\n IMPLICIT NONE\n\n REAL :: alogz1z0\n INTEGER :: c\n REAL :: es\n REAL :: f1\n REAL :: f2\n REAL :: f3\n REAL, PARAMETER :: f3min = 0.25\n REAL :: f4\n REAL, PARAMETER :: ftmin = 0.0000001 ! [m/s]\n REAL :: ftot\n REAL :: ga\n REAL :: gsfc\n INTEGER :: lu\n CHARACTER(LEN=16), PARAMETER :: pname = 'RESISTCALC'\n REAL :: psih\n REAL :: psih0\n REAL :: q1\n REAL :: qss\n INTEGER :: r\n REAL :: radf\n REAL :: radl\n REAL :: raw\n REAL, PARAMETER :: rsmax = 5000.0 ! [s/m]\n REAL :: rstmin\n REAL, PARAMETER :: svp2 = 17.67 ! from MM5\n REAL, PARAMETER :: svp3 = 29.65 ! from MM5\n REAL :: t1\n REAL, PARAMETER :: wfc = 0.240\n REAL, PARAMETER :: wwlt = 0.155\n REAL :: z1\n REAL :: z1ol\n REAL :: zntol\n\n REAL, PARAMETER :: f2defmod ( 33 ) = &\n (/ 0.90, 0.90, 0.90, 0.90, 0.90, 0.50, 0.50, 0.60, &\n 0.60, 0.70, 0.99, 0.93, 0.80, 0.85, 0.99, 0.30, &\n 1.00, 0.50, 0.60, 0.20, 1.00, 0.00, 0.00, 0.00, &\n 0.00, 0.00, 0.00, 0.00, 0.00, 0.00, 0.84, 0.82, 0.80 /)\n\n REAL, PARAMETER :: rstmod ( 33 ) = &\n (/ 175.0, 120.0, 175.0, 200.0, 200.0, 200.0, 200.0, 150.0, &\n 120.0, 100.0, 160.0, 70.0, 150.0, 100.0, 9999.0, 100.0, &\n 9999.0, 175.0, 120.0, 100.0, 9999.0, 9999.0, 9999.0, 9999.0, &\n 9999.0, 9999.0, 9999.0, 9999.0, 9999.0, 9999.0, 150.0, 140.0, 125.0 /)\n\n REAL, PARAMETER :: f2defnlcd50 ( 50 ) = &\n (/ 1.00, 0.99, 0.85, 0.84, 0.83, 0.82, 0.30, 0.50, &\n 0.90, 0.90, 0.90, 0.50, 0.50, 0.70, 0.60, 0.60, &\n 0.60, 0.50, 0.80, 0.95, 0.99, 0.99, 0.99, 0.99, &\n 0.99, 0.99, 0.99, 0.99, 0.99, 0.99, 1.00, 0.90, &\n 0.90, 0.90, 0.90, 0.90, 0.50, 0.50, 0.60, 0.60, &\n 0.70, 0.99, 0.85, 0.80, 0.85, 0.99, 0.30, 1.00, &\n 0.00, 0.00 /)\n\n REAL, PARAMETER :: rstnlcd50 ( 50 ) = &\n (/9999.0, 9999.0, 120.0, 120.0, 140.0, 160.0, 100.0, 100.0, &\n 200.0, 175.0, 200.0, 200.0, 200.0, 100.0, 100.0, 100.0, &\n 100.0, 100.0, 80.0, 70.0, 200.0, 200.0, 164.0, 200.0, &\n 164.0, 120.0, 120.0, 120.0, 100.0, 100.0, 9999.0, 175.0, &\n 120.0, 175.0, 200.0, 200.0, 200.0, 200.0, 150.0, 120.0, &\n 100.0, 160.0, 70.0, 150.0, 100.0, 9999.0, 100.0, 9999.0, &\n 9999.0, 9999.0 /)\n\n REAL, PARAMETER :: f2defnlcd40 ( 40 ) = &\n (/ 0.90, 0.90, 0.90, 0.90, 0.90, 0.50, 0.50, 0.60, &\n 0.60, 0.70, 0.99, 0.85, 0.80, 0.85, 0.99, 0.30, &\n 1.00, 0.00, 0.00, 0.00, 1.00, 0.99, 0.85, 0.84, &\n 0.83, 0.82, 0.30, 0.90, 0.90, 0.90, 0.50, 0.50, &\n 0.70, 0.60, 0.60, 0.60, 0.80, 0.95, 0.99, 0.99 /)\n\n REAL, PARAMETER :: rstnlcd40 ( 40 ) = &\n (/ 175.0, 120.0, 175.0, 200.0, 200.0, 200.0, 200.0, 150.0, &\n 120.0, 100.0, 160.0, 70.0, 150.0, 100.0, 9999.0, 100.0, &\n 9999.0, 9999.0, 9999.0, 9999.0, 9999.0, 9999.0, 120.0, 120.0, &\n 140.0, 160.0, 100.0, 200.0, 175.0, 200.0, 200.0, 200.0, &\n 100.0, 100.0, 100.0, 100.0, 80.0, 70.0, 200.0, 120.0 /)\n\n REAL, PARAMETER :: f2defold ( 13 ) = &\n (/ 0.80, 0.90, 0.70, 0.90, 0.90, 0.90, 1.00, 0.99, &\n 0.30, 0.60, 0.99, 0.99, 0.60 /)\n\n REAL, PARAMETER :: rstold ( 13 ) = &\n (/ 150.0, 70.0, 83.0, 183.0, 150.0, 200.0, 9999.0, 164.0, &\n 100.0, 150.0, 9999.0, 200.0, 120.0 /)\n\n REAL, PARAMETER :: f2defusgs ( 33 ) = &\n (/ 0.80, 0.85, 0.98, 0.90, 0.80, 0.90, 0.70, 0.50, &\n 0.60, 0.60, 0.90, 0.90, 0.90, 0.90, 0.90, 1.00, &\n 0.99, 0.99, 0.30, 0.40, 0.50, 0.60, 0.20, 0.99, &\n 0.20, 0.20, 0.20, 0.00, 0.00, 0.00, 0.84, 0.82, 0.80 /)\n\n REAL, PARAMETER :: rstusgs ( 33 ) = &\n (/ 150.0, 70.0, 60.0, 70.0, 80.0, 180.0, 100.0, 200.0, &\n 150.0, 120.0, 200.0, 175.0, 120.0, 175.0, 200.0, 9999.0, &\n 164.0, 200.0, 100.0, 150.0, 200.0, 150.0, 100.0, 300.0, &\n 100.0, 100.0, 100.0, 9999.0, 9999.0, 9999.0, 150.0, 140.0, 125.0 /)\n\n!-------------------------------------------------------------------------------\n! Error, warning, and informational messages.\n!-------------------------------------------------------------------------------\n\n CHARACTER(LEN=256), PARAMETER :: f9000 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** UNKNOWN LAND USE INPUT DATA SOURCE: ', a, &\n & /, 1x, 70('*'))\"\n\n!-------------------------------------------------------------------------------\n! Loop over grid cells to calculate aerodynamic and stomatal resistances.\n!-------------------------------------------------------------------------------\n\n DO c = 1, ncols_x\n DO r = 1, nrows_x\n\n IF ( xustar(c,r) /= 0.0 ) THEN ! ustar undefined or 0.0 at init met time\n\n t1 = xtempm (c,r,1)\n q1 = xwvapor(c,r,1)\n lu = NINT( xdluse (c,r) )\n z1 = x3htm (c,r,1)\n z1ol = z1 / xmol(c,r)\n zntol = xzruf(c,r) / xmol(c,r)\n alogz1z0 = ALOG(z1/xzruf(c,r))\n\n ! Fill in land-use-based parameters:\n\n ! Effects of soil moisture are contained in F2.\n ! When not using LSM, soil moisture is estimated by moisture\n ! availability as a function of dominant land use category.\n ! Soil parameters here are based on loam. This formulation\n ! does not include effects of precipitation.\n\n IF ( xlusrc(1:3) == 'USG' ) THEN\n f2 = f2defusgs(lu)\n rstmin = rstusgs(lu)\n ELSE IF ( xlusrc(1:3) == 'MM5' ) THEN\n f2 = f2defold(lu)\n rstmin = rstold(lu)\n ELSE IF ( xlusrc(1:3) == 'MOD' ) THEN\n f2 = f2defmod(lu)\n rstmin = rstmod(lu)\n ELSE IF ( xlusrc(1:6) == 'NLCD50' ) THEN\n f2 = f2defnlcd50(lu)\n rstmin = rstnlcd50(lu)\n ELSE IF ( xlusrc(1:6) == 'NLCD40' ) THEN\n f2 = f2defnlcd40(lu)\n rstmin = rstnlcd40(lu)\n ELSE\n WRITE (*,f9000) TRIM(pname), TRIM(xlusrc)\n CALL graceful_stop (pname)\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Calculate aerodynamic resistance XRADYN.\n!-------------------------------------------------------------------------------\n\n IF ( z1ol >= 0.0 ) THEN \n\n IF ( z1ol > 1.0 ) THEN\n psih0 = 1.0 - betah - z1ol\n ELSE\n psih0 = -betah * z1ol\n ENDIF\n\n IF ( zntol > 1.0 ) THEN\n psih = psih0 - (1.0 - betah - zntol)\n ELSE\n psih = psih0 + betah * zntol\n ENDIF\n\n ELSE\n\n psih = 2.0 * ALOG( (1.0 + SQRT(1.0 - gamah*z1ol)) / &\n (1.0 + SQRT(1.0 - gamah*zntol)) )\n\n ENDIF\n\n xradyn(c,r) = pro * ( alogz1z0 - psih ) / ( vkar * xustar(c,r) )\n\n!-------------------------------------------------------------------------------\n! Calculate stomatal resistance XRSTOM.\n!-------------------------------------------------------------------------------\n\n ! Effects of transpiration.\n\n IF ( NINT(xlwmask(c,r)) == 0 ) THEN ! water\n\n xrstom(c,r) = fillreal ! inverse taken in metcro.F\n\n ELSE\n\n ! Effects of radiation.\n\n IF ( rstmin > 130.0 ) THEN\n radl = 30.0 ! [W/m**2]\n ELSE\n radl = 100.0 ! [W/m**2]\n ENDIF\n\n radf = 1.1 * xrgrnd(c,r) / ( radl * xlai(c,r) ) ! NP89 - EQN34\n f1 = (rstmin / rsmax + radf) / (1.0 + radf)\n\n ! Effects of air temperature following Avissar (1985) and Xiu (7/95).\n\n IF ( t1 <= 302.15 ) THEN\n f4 = 1.0 / (1.0 + EXP(-0.41 * (t1 - 282.05)))\n ELSE\n f4 = 1.0 / (1.0 + EXP( 0.50 * (t1 - 314.00)))\n ENDIF\n\n ftot = MAX( (xlai(c,r) * f1 * f2 * f4), ftmin )\n gsfc = ftot / rstmin\n\n ! rb(water) = 2/(k*ust) (Scw/Pran)^2/3\n ! = 5/ust (0.606/0.709)^2/3\n ! = 4.503/ust\n\n raw = xradyn(c,r) + 4.503 / xustar(c,r) ! 4.503 = (Scw/Pran)^2/3\n ga = 1.0 / raw\n\n ! Compute the saturated mixing ratio at surface temperature (XTEMPG).\n ! Saturation vapor pressure [mb] of water.\n\n IF ( ( xsnocov(c,r) > 0.0 ) .OR. ( xtempg(c,r) <= stdtemp ) ) THEN\n es = vp0 * EXP(22.514 - 6.15e3/xtempg(c,r))\n ELSE \n es = vp0 * EXP(svp2 * (xtempg(c,r) - stdtemp) / (xtempg(c,r) - svp3))\n ENDIF\n\n qss = es * 0.622 / (xprsfc(c,r) - es)\n\n ! Compute humidity effect according to RH at leaf surface.\n\n f3 = 0.5 * (gsfc - ga + SQRT(ga * ga + ga * gsfc * (4.0 * q1 / &\n qss - 2.0) + gsfc * gsfc)) / gsfc\n f3 = MIN( MAX(f3,f3min), 1.0 ) \n\n xrstom(c,r) = 1.0 / (gsfc * f3)\n\n ENDIF\n\n ELSE ! ustar = 0.0\n\n xradyn(c,r) = fillreal ! inverse taken in metcro.F\n xrstom(c,r) = fillreal ! inverse taken in metcro.F\n\n ENDIF\n\n ENDDO\n ENDDO\n\nEND SUBROUTINE resistcalc\n" }, { "path": "PREP/mcip/src/setgriddefs.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nSUBROUTINE setgriddefs\n\n!-------------------------------------------------------------------------------\n! Name: Set Grid Definitions\n! Purpose: Gets information from user input and input meteorology, and\n! sets up grid definitions.\n! Notes: Some algorithms taken from MCIP v1 getmet_mm5.F.\n! Revised: 20 Sep 2001 Original version. (T. Otte)\n! 16 Oct 2001 Added variable COORDNAM. Corrected definition\n! of P_GAM_GD. Added provisions for windowing a\n! subset of the meteorology domain. (T. Otte)\n! 20 Nov 2001 Corrected setting of XORIG_GD and YORIG_GD. (T. Otte)\n! 10 Jan 2002 Changed calls to \"abort\" to calls to \"m3exit\" for\n! graceful shut-down of I/O API files. (T. Otte)\n! 27 Feb 2002 Removed minimum grid size on windows. (T. Otte)\n! 06 Mar 2003 Modified definitions of XORIG_GD and Y0RIG_GD to\n! minimize real number round-off issues which can\n! cause header mismatches in CMAQ. Added double\n! precision attributes to variables assigned to\n! I/O API header. (T. Otte)\n! 10 Aug 2004 Added new grid projections. Moved definition of\n! PX to setupv2 and setupv3. Added T2OUT. Removed\n! checks from obsolete land-use input sources. (T. Otte)\n! 24 Feb 2005 Removed NDX and option to interpolate to finer scale\n! meteorology. Changed I and J naming conventions to\n! Y and X to make code more general. Added vertical\n! coordinate definition for WRF. Modified prints of\n! user options to reflect new LDDEP = 3 or 4 for dry\n! deposition velocity calculations of chlorine and\n! mercury species with M3DRY. Added calculation of\n! XORIG and YORIG for WRF grid definitions. Added logic\n! to make center latitude more precise for WRF. (T. Otte)\n! 15 Jul 2005 Added debugging for variable retrievals from WRF\n! files. Added error-exit for problems defining YORIG\n! for WRF. Added provisions for defining WRF XORIG and \n! YORIG when dot-point lower-left corner coordinate is\n! not available in WRF output. (T. Otte)\n! 11 Aug 2005 Removed unused variable X_RESOL. (T. Otte)\n! 27 Feb 2006 Changed tolerances on XORIG_M and YORIG_M for WRF to\n! allow center of projection be at a face point or scalar\n! point, rather than only on dot points. Updated\n! vertical coordinate definitions to correspond with\n! updates to I/O API PARMS3.EXT for WRF. Corrected\n! I/O API grid definition for Mercator projection.\n! (T. Otte)\n! 07 Apr 2006 Corrected settings of P_ALP_GD, P_BET_GD, and\n! P_GAM_GD for Mercator projection...again. (T. Otte)\n! 12 May 2006 Corrected setting of GDTYP_GD for polar stereographic\n! projection. Revised definitions of I/O API header\n! variables for WRF-based domains. Corrected \n! calculation of print column and row for center of\n! grid. (T. Otte)\n! 20 Jun 2006 Corrected operations involving double-precision\n! variables XCELL_GD and YCELL_GD. (T. Otte)\n! 31 Jul 2007 Added IMPLICIT NONE. Eliminated prints for former\n! user-definable run options to recalculate PBL, cloud,\n! and radiation. Removed I/O API header settings for\n! MM5v2-based vertical coordinate. Removed T2OUT.\n! Added prints to show whether or not some variables\n! were part of input meteorology. Added print statements\n! to show whether or not some meteorological fields were\n! found in the input file; those that are not found may\n! be calculated. Updated computation of LPRT_COL and\n! LPRT_ROW for a one-cell domain. Changed code so that\n! M3Dry with chlorine and mercury is the only option to\n! compute dry deposition velocities in MCIP. Removed\n! dependencies on modules FILE and WRF_NETCDF. (T. Otte)\n! 06 May 2008 Changed settings for XCENT_GD, YCENT_GD, XORIG_GD, and\n! YORIG_GD for WRF for Lambert conformal projection so\n! that headers will be compatible with M3IO utility\n! routines LL2LAM and LAM2LL. (Still need to test\n! settings for polar stereographic and Mercator for\n! WRF.) Removed NTHIKD and NBNDYD. Added error-checking\n! to prevent NTHIK=0. Added print statements to log file\n! to indicate whether or not each of Q2 and TKE were\n! found in the MM5 or WRF file. Added print statements\n! to log file to indicate whether or not UAH cloud field\n! adjustment for photolysis has been invoked, and to\n! indicate whether or not the urban canopy model has\n! been invoked. (T. Otte)\n! 26 Nov 2008 Changed setting for YCENT_GD (and, thus, XORIG_GD and\n! YORIG_GD) for WRF for Lambert conformal projection so\n! that the headers will not fail in the Spatial\n! Allocator. Reference latitude now is set to the\n! average of the true latitudes for the secant Lambert\n! conformal case. (Still need to test settings for polar\n! stereographic and Mercator for WRF.) (T. Otte)\n! 23 Dec 2008 Added user-definable reference latitude for WRF\n! Lambert conformal data sets. Best used for\n! consistency with existing MM5 data sets. (T. Otte)\n! 28 Apr 2009 Changed setting of XCENT and YCENT for polar\n! stereographic WRF domains. (T. Otte)\n! 28 Oct 2009 Changed MET_UCMCALL to MET_URBAN_PHYS, and allowed\n! for variable to be set to be greater than 1. Removed\n! setting of reference latitude for Lambert conformal\n! because it is now done in SETUP_MM5V3 and SETUP_WRFEM.\n! Remove subroutine GRIDGEOMETRY, and use dot-point\n! latitude array directly to fill Mercator reference\n! point information for I/O API headers. Changed\n! XORIG and YORIG truncation logic to allow for grid\n! cells to be increments of half of a grid cell removed\n! (rather than limiting to a whole grid cell). Changed\n! logic (again) to define I/O API projection parameters.\n! Added user option to output vertical velocity predicted\n! by the meteorological model rather than output it by\n! default. Changed format on print statements in MCIP\n! log file so that larger numbers in XORIG3D and YORIG3D\n! can be accommodated and more precision is given after\n! the decimal point. (T. Otte)\n! 12 Feb 2010 Removed unused variables CNTRX, CNTRY, YLAT, and YLON,\n! and removed unused format 9800. (T. Otte)\n! 09 Sep 2010 Removed option to compute dry deposition velocities\n! in MCIP. (T. Otte)\n! 11 Aug 2011 Replaced module PARMS3 with I/O API module M3UTILIO.\n! (T. Otte)\n! 31 Aug 2011 Removed dependency on netcdf.inc, and improved error\n! handling. Changed F77 character definitions to F90\n! standard. (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n! 10 Apr 2015 Updated log file to indicate if 3D resolved cloud\n! fraction will be part of output. (T. Spero)\n! 21 Aug 2015 Updated log file to indicate if WRF/ACM2 was used and\n! Monin-Obukhov length will be recalculated by MCIP to\n! be consistent with other ACM2 physics in WRF.\n! (T. Spero)\n! 17 Sep 2015 Changed IFMOLACM to IFMOLPX. (T. Spero)\n! 23 Jun 2017 Added MET_HYBRID setting to log output. (T. Spero)\n! 22 Feb 2018 Refined calculation of interval between WRF output\n! times to account for small drifts when advection time\n! steps do not fall exactly on the hour. \n! Corrected error in text of print statement 6155.\n! Removed superfluous variables METROW and METCOL.\n! Defined METSOI. Prevent MCIP from using meteorology\n! initialization time. (T. Spero)\n! 14 Sep 2018 Removed support for MM5v3 input. (T. Spero)\n! 18 Jun 2019 Added a flag for new surface variables with PX LSM\n! that can improve dust simulation in CCTM. Changed\n! spacing in format statements improve readability in\n! log file. Changed variable LUVCOUT to LUVBOUT to\n! reflect that the default 3D wind components are on the\n! Arakawa-C staggered grid, and the optional additional\n! 3D winds are on the Arakawa-B staggered grid. Added\n! write for IOFORM to log. Added flag for optional\n! variable with KF convective scheme with radiative\n! feedbacks. (T. Spero)\n! 21 Sep 2020 Corrected error in logic for processing meteorology\n! data at a time interval that is coarser than the\n! available data in the file. (T. Spero)\n! 30 Apr 2024 Changed constraint on XORIG and YORIG for Lambert\n! conformal projections with user-specified runtime\n! reference latitude. Original constraint of 500 meters\n! introduced an error in calculating the location of the\n! lower-left corner in domains with a horizontal grid\n! spacing that is not a multiple of 1 km. Now using a\n! constraint of 5 meters to allow for \"neater\" XORIG\n! and YORIG values across compilers. (T. Spero)\n!-------------------------------------------------------------------------------\n\n USE mcipparm\n USE xvars\n USE metinfo\n USE coord\n USE m3utilio\n\n IMPLICIT NONE\n\n CHARACTER(LEN=60) :: option\n CHARACTER(LEN=16), PARAMETER :: pname = 'SETGRIDDEFS'\n REAL, PARAMETER :: pole = 90.0 ! degrees\n REAL :: rnthik\n INTEGER :: ttol_min ! minutes\n REAL :: xorig_ctm\n REAL :: xorig_m\n REAL :: xorig_x\n REAL :: xtemp\n CHARACTER(LEN=3) :: yesno\n REAL :: yorig_ctm\n REAL :: yorig_m\n REAL :: yorig_x\n REAL :: ytemp\n\n!-------------------------------------------------------------------------------\n! Error, warning, and informational messages.\n!-------------------------------------------------------------------------------\n\n CHARACTER(LEN=256), PARAMETER :: f6000 = \"(/, 1x, 'Output start date = ', a, &\n & /, 1x, 'Output end date = ', a, /, 1x, 'Output interval = ', i3, &\n & ' minutes', // )\"\n\n CHARACTER(LEN=256), PARAMETER :: f6100 = \"(1x, a, ' = ', i3, ': ', a)\"\n\n CHARACTER(LEN=256), PARAMETER :: f6150 = &\n \"(/, 1x, a, ' was ', a, ' found in the meteorology input file')\"\n\n CHARACTER(LEN=256), PARAMETER :: f6155 = &\n \"(/, 1x, a, ' will ', a, ' be recomputed by MCIP (Only for WRF P-X LSM)')\"\n\n CHARACTER(LEN=256), PARAMETER :: f6160 = &\n \"(1x, a, ' will be read from the ', a, ' file')\"\n\n CHARACTER(LEN=256), PARAMETER :: f6175 = &\n \"(/, 1x, a, ' will ', a, ' be in the output file')\"\n\n CHARACTER(LEN=256), PARAMETER :: f6180 = &\n \"(/, 1x, a, ' was ', a, ' used in the meteorology model')\"\n\n CHARACTER(LEN=256), PARAMETER :: f6200 = &\n \"(1x, a, ' domain dimensions (col, row, lay):', 3(2x, i3))\"\n\n CHARACTER(LEN=256), PARAMETER :: f6300 = \"(4x, a, 1x, a, 3x, i4, 2x, i4)\"\n CHARACTER(LEN=256), PARAMETER :: f6400 = \"(4x, a, 2x, i14)\"\n CHARACTER(LEN=256), PARAMETER :: f6500 = \"(4x, a, 2x, a)\"\n CHARACTER(LEN=256), PARAMETER :: f6600 = \"(4x, a, 2x, f14.3)\"\n\n CHARACTER(LEN=256), PARAMETER :: f9000 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** NTHIK cannot be set to zero', &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9025 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** MCIP lower-left corner is not in met domain', &\n & /, 1x, '*** X0, Y0 = ', 2(2x, i4), &\n & /, 1x, '*** NX, NY = ', 2(2x, i4), &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9050 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** MCIP domain must have 1 or more cells per side', &\n & /, 1x, '*** NCOLS, NROWS = ', 2(2x, i4), &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9100 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** Requested MCIP X domain exceeds met domain', &\n & /, 1x, '*** METCOL, METROW = ', i4, 2x, i4, &\n & /, 1x, '*** MCIP domain (col, row) = ', i4, 2x, i4, &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9200 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** Requested MCIP dim.: ', i4, ' x ', i4, &\n & /, 1x, '*** Met. dim.: ', i4, ' x ', i4, &\n & /, 1x, '*** Max. allowable dim.: ', i4, ' x ', i4, &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9250 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** Requested MCIP dim. exceed the actual Met. dim.', &\n & /, 1x, '*** Input meteorology dimensions: ', 2(2x, i4), &\n & /, 1x, '*** MCIP output domain in terms of met: ', 2(2x, i4), &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9275 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** INVALID INPUT METEOROLOGY MAP PROJECTION ', i4, &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9300 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, ' MCIP output interval cannot be shorter than input', &\n & /, 1x, ' User-defined MCIP output interval = ', i3, &\n & /, 1x, ' Meteorology output interval = ', f5.1, &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9400 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** MCIP output must start after meteorology start time', &\n & /, 1x, '*** User-defined MCIP start date = ', a, &\n & /, 1x, '*** Input meteorology start date = ', a, &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9600 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** Diagnostic print cell is outside domain', &\n & /, 1x, '*** Input LPRT_COL and LPRT_ROW are ', i4, 2x, i4, &\n & /, 1x, '*** Output domain NCOLS and NROWS are ', i4, 2x, i4, &\n & /, 1x, 70('*'))\"\n\n!-------------------------------------------------------------------------------\n! Define MCIP grid coordinate information from meteorology grid input.\n!-------------------------------------------------------------------------------\n\n ttol_min = NINT( REAL(ttol_sec) / 60.0 ) ! convert time tolerance to minutes\n\n metlay = met_nz\n metsoi = met_ns\n\n IF ( nthik == 0 ) THEN\n WRITE (*,f9000) TRIM(pname)\n CALL graceful_stop (pname)\n ENDIF\n\n IF ( nbdrytrim >= 0 ) THEN ! not windowing...need to define NCOLS, NROWS\n ncols = met_nx - (2 * nbdrytrim) - (2 * nthik) - 1\n nrows = met_ny - (2 * nbdrytrim) - (2 * nthik) - 1\n ENDIF\n\n nrows_x = nrows + 2 * nthik\n ncols_x = ncols + 2 * nthik\n\n nbndy = 2 * nthik * (ncols + nrows + 2*nthik)\n\n!-------------------------------------------------------------------------------\n! Check dimensions of domain.\n!-------------------------------------------------------------------------------\n\n IF ( ( x0 < 1 ) .OR. ( y0 < 1 ) .OR. &\n ( x0 > met_nx - 1 ) .OR. ( y0 > met_ny - 1 ) ) THEN\n WRITE (*,f9025) TRIM(pname), x0, y0, met_nx, met_ny\n CALL graceful_stop (pname)\n ENDIF\n\n IF ( ( ncols < 1 ) .OR. ( nrows < 1 ) ) THEN\n WRITE (*,f9050) TRIM(pname), ncols, nrows\n CALL graceful_stop (pname)\n ENDIF\n\n IF ( ( met_nx < (ncols_x + 1) ) .OR. &\n ( met_ny < (nrows_x + 1) ) ) THEN\n WRITE (*,f9100) TRIM(pname), met_nx, met_ny, ncols_x + 1, nrows_x + 1\n CALL graceful_stop (pname)\n ENDIF\n\n IF ( ( ncols > met_nx-2*nthik-1 ) .OR. &\n ( nrows > met_ny-2*nthik-1 ) ) THEN\n WRITE (*,f9200) TRIM(pname), ncols, nrows, met_nx, met_ny, &\n met_nx-2*nthik-1, met_ny-2*nthik-1\n CALL graceful_stop (pname)\n ENDIF\n\n IF ( ( x0+2*nthik+ncols-1 > met_nx-1 ) .OR. &\n ( y0+2*nthik+nrows-1 > met_ny-1 ) ) THEN\n WRITE (*,f9250) TRIM(pname), met_nx, met_ny, &\n x0+2*nthik+ncols-1, y0+2*nthik+nrows-1\n CALL graceful_stop (pname)\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Calculate window domain size in terms of MET grid.\n!-------------------------------------------------------------------------------\n\n ncg_x = 1 + INT( ncols + 2 * nthik - 1 )\n ncg_y = 1 + INT( nrows + 2 * nthik - 1 )\n\n!-------------------------------------------------------------------------------\n! GDTYP_GD:\n! The map projection types in I/O API are:\n! 1: LATGRD for lat-lon coordinates\n! 2: LAMGRD for Lambert coordinates\n! 3: MERGRD for Mercator coordinates\n! 4: STEGRD for Stereographic coordinates\n! 5: UTMGRD for UTM coordinates\n! 6: POLGRD for polar stereographic coordinates\n! 7: EQMGRD for equatorial Mercator coordinates\n! 8: TRMGRD for transverse Mercator coordinates\n! 9: ALBGRD for Albers equal-area conic\n! 10: LEQGRD for Lambert azimuthal equal-area\n!-------------------------------------------------------------------------------\n\n IF ( met_mapproj == 1 ) THEN ! Lambert conformal\n gdtyp_gd = lamgrd3\n ELSE IF ( met_mapproj == 2 ) THEN ! polar stereographic\n gdtyp_gd = polgrd3\n ELSE IF ( met_mapproj == 3 ) THEN ! equatorial Mercator\n gdtyp_gd = eqmgrd3\n ELSE\n WRITE (*,f9275) TRIM(pname), met_mapproj\n CALL graceful_stop (pname)\n ENDIF\n\n!-------------------------------------------------------------------------------\n! The definitions of the map projection specification parameters, \n! P_ALP_GD (alpha), P_BET_GD (beta), and P_GAM_GD (gamma), depend upon the\n! projection type. (Note: if P_ALP_GD < AMISS, then the grid description is\n! missing or invalid.)\n!\n! The following descriptions were liberally borrowed from the I/O API\n! grid definition page: http://www.baronams.com/products/ioapi/GRIDS.html\n!\n! Lambert: P_ALP_GD <= P_BET_GD are the two latitudes that\n! determine the projection cone; P_GAM_GD is the\n! central meridian.\n!\n! Polar: P_ALP_GD is 1.0 for North Polar and -1.0 for South Polar.\n! P_BET_GD is the secant latitude (latitude of true scale).\n! P_GAM_GD is the central meridian.\n\n! Eq. Mercator: P_ALP_GD is the latitude of the true scale, P_BET_GD is unused,\n! and P_GAM_GD is the longitude of the central meridian.\n!-------------------------------------------------------------------------------\n\n p_alp_gd = DBLE(met_p_alp_d)\n p_bet_gd = DBLE(met_p_bet_d)\n p_gam_gd = DBLE(met_p_gam_d)\n\n!-------------------------------------------------------------------------------\n! (XCENT_GD, YCENT_GD):\n! For most projections, these are the longitude, -180 < X <= 180, and the\n! latitude, -90 <= Y <= 90, for the center of the grid's respective Cartesian\n! coordinate system. Units are meters.\n!-------------------------------------------------------------------------------\n\n IF ( ( met_model == 2 ) .AND. ( gdtyp_gd == lamgrd3 ) ) THEN\n xcent_gd = DBLE(met_proj_clon) ! [degrees longitude]\n ycent_gd = DBLE(met_ref_lat) ! [degrees latitude]\n ELSE IF ( gdtyp_gd == eqmgrd3 ) THEN\n xcent_gd = DBLE(met_proj_clon) ! [degrees longitude]\n ycent_gd = 0.0d0 ! [degrees latitude]\n ELSE\n xcent_gd = DBLE(met_proj_clon) ! [degrees longitude]\n ycent_gd = DBLE(met_proj_clat) ! [degrees latitude]\n ENDIF\n\n!-------------------------------------------------------------------------------\n! (XCELL_GD, YCELL_GD):\n! The X-direction and Y-direction cell dimensions (m) for a regular grid\n! If zero, the grid is assumed irregular and described by other means (e.g.\n! a grid-geometry file).\n!-------------------------------------------------------------------------------\n\n xcell_gd = DBLE(met_resoln) ! [m]\n ycell_gd = DBLE(met_resoln) ! [m]\n\n!-------------------------------------------------------------------------------\n! VGTYP_GD:\n! The vertical grid type:\n! 1: VGSGPH3 for hydrostatic sigma-P coordinates\n! 2: VGSGPN3 for non-hydrostatic sigma-P0 coordinates\n! 3: VGSIGZ3 for sigma-Z coordinates\n! 4: VGPRES3 for pressure (mb) coordinates\n! 5: VGZVAL3 for Z (meters above mean sea level)\n! 6: VHZVAL3 for H (meters above ground)\n! 7: VGWRFEM for WRF mass-core sigma\n! 8: VGWRFNM for WRF NMM\n! -: IMISS for vertical coordinates not stored in VGLVSD\n! (e.g., temporally or spatially changing vertical coordinates)\n!-------------------------------------------------------------------------------\n\n IF ( met_model == 2 ) THEN ! WRF-ARW\n IF ( met_hybrid <= 0 ) THEN ! sigma-type vertical coordinate\n vgtyp_gd = vgwrfem ! terrain-following dry hydrostatic pressure\n ELSE ! hybrid sigma-pressure vertical coordinate\n vgtyp_gd = imiss3\n ENDIF\n ENDIF\n\n!-------------------------------------------------------------------------------\n! VGTPUN_GD:\n! The units of the vertical coordinate top.\n!-------------------------------------------------------------------------------\n\n vgtpun_gd = 'Pa'\n\n!-------------------------------------------------------------------------------\n! VGTOP_GD:\n! The value for the model top used in the definition of the sigma\n! coordinate systems in the VGTPUN_GD units\n! For sigma-P, the relationship between pressure levels P and sigma-P is\n! given by the following formula:\n! sigma-P = ( P - VGTOP_GD ) / (P_srf - VGTOP_GD ),\n! where P_srf is the surface pressure.\n!-------------------------------------------------------------------------------\n\n vgtop_gd = met_ptop\n x3top = met_ptop\n\n!-------------------------------------------------------------------------------\n! VGLVUN_GD:\n! The units of the vertical coordinate surface values\n!-------------------------------------------------------------------------------\n\n vglvun_gd = 'none'\n\n!-------------------------------------------------------------------------------\n! COORDNAM_GD:\n! The coordinate system name used for I/O-API description and GRIDDESC.\n!-------------------------------------------------------------------------------\n\n coordnam_gd = coordnam\n\n!-------------------------------------------------------------------------------\n! GDNAME_GD:\n! The grid name used for I/O-API description and GRIDDESC.\n!-------------------------------------------------------------------------------\n\n gdname_gd = grdnam\n\n!-------------------------------------------------------------------------------\n! Check origins of output MCIP domain and met from offsets. Take into account\n! resolution of MET, MCIP, and NTHIK.\n! (X0, Y0) = (COL_OFFSET, ROW_OFFSET)\n! *** Note: The XORIG and YORIG values for WRF Lambert conformal are forced\n! to increments of half-delta-X if a user-defined reference\n! latitude was specified.\n!-------------------------------------------------------------------------------\n\n IF ( ( met_model == 2 ) .OR. ( gdtyp_gd == eqmgrd3 ) ) THEN ! WRF or Mercator\n\n xorig_ctm = met_xxctr - ( met_rictr_dot - FLOAT(x0+nthik) ) * met_resoln\n yorig_ctm = met_yyctr - ( met_rjctr_dot - FLOAT(y0+nthik) ) * met_resoln\n\n IF ( ( gdtyp_gd == lamgrd3 ) .AND. ( wrf_lc_ref_lat > -900.0 ) ) THEN\n ! Force XORIG and YORIG to be in increments of 5 meters.\n xtemp = xorig_ctm / 5.0\n ytemp = yorig_ctm / 5.0\n xtemp = FLOAT(NINT(xtemp))\n ytemp = FLOAT(NINT(ytemp))\n xorig_ctm = xtemp * 5.0\n yorig_ctm = ytemp * 5.0\n ENDIF\n \n ENDIF\n\n!-------------------------------------------------------------------------------\n! (XORIG_GD, YORIG_GD):\n! For Lambert, Mercator, Stereographic, and UTM these are the\n! location in map units (Km) of the origin cell (1,1) (lower left corner)\n! of the of the horizontal grid measured from (XCENT_GD, YCENT_GD).\n! For Lat-Lon: units are degrees - unused\n!-------------------------------------------------------------------------------\n\n IF ( met_model == 2 ) THEN ! WRF -- Allow trailing digits.\n xorig_gd = DBLE(xorig_ctm) ! X-origin [m]\n yorig_gd = DBLE(yorig_ctm) ! Y-origin [m]\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Check user-defined MCIP output time info against input meteorology.\n!-------------------------------------------------------------------------------\n\n IF ( intvl < NINT(met_tapfrq) ) THEN\n WRITE (*,f9300) TRIM(pname), intvl, met_tapfrq\n CALL graceful_stop (pname)\n ENDIF\n\n IF ( mcip_start <= met_startdate ) THEN\n WRITE (*,f9400) TRIM(pname), mcip_start, met_startdate\n CALL graceful_stop (pname)\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Set up coordinates for diagnostic print on all domains.\n!-------------------------------------------------------------------------------\n\n IF ( ( lprt_col > ncols ) .OR. ( lprt_row > nrows ) .OR. &\n ( lprt_col < 0 ) .OR. ( lprt_row < 0 ) ) THEN\n WRITE (*,f9600) TRIM(pname), lprt_col, lprt_row, ncols, nrows\n CALL graceful_stop (pname)\n ENDIF\n\n IF ( lprt_col == 0 ) THEN\n IF ( ncols > 1 ) THEN\n lprt_col = (ncols + 1) / 2\n ELSE\n lprt_col = 1\n ENDIF\n ENDIF\n\n IF ( lprt_row == 0 ) THEN\n IF ( nrows > 1 ) THEN\n lprt_row = (nrows + 1) / 2\n ELSE\n lprt_row = 1\n ENDIF\n ENDIF\n\n lprt_xcol = lprt_col + nthik\n lprt_xrow = lprt_row + nthik\n\n lprt_metx = lprt_col + x0\n lprt_mety = lprt_row + y0\n\n!-------------------------------------------------------------------------------\n! Echo user options and grid definitions to log file.\n!-------------------------------------------------------------------------------\n\n WRITE (*, \"(/, 1x, 78('-'), /)\")\n WRITE (*, \"(24x, a, /)\") 'USER OPTIONS AND GRID DEFINITIONS'\n\n WRITE (*,f6000) mcip_start, mcip_end, intvl\n\n SELECT CASE ( lpv )\n CASE ( 0 )\n option = 'Will not calculate and output 3D potential vorticity'\n CASE ( 1 )\n option = 'Will calculate and output 3D potential vorticity'\n CASE DEFAULT\n option = '*** invalid ***'\n END SELECT\n WRITE (*,f6100) 'LPV ', lpv, TRIM(option)\n\n SELECT CASE ( lwout )\n CASE ( 0 )\n option = 'Will not output vertical velocity from the met model'\n CASE ( 1 )\n option = 'Will output vertical velocity from the met model'\n CASE DEFAULT\n option = '*** invalid ***'\n END SELECT\n WRITE (*,f6100) 'LWOUT ', lwout, TRIM(option)\n\n SELECT CASE ( luvbout )\n CASE ( 0 )\n option = 'Will not output u- and v-component winds on B grid'\n CASE ( 1 )\n option = 'Will output u- and v-component winds on B grid'\n CASE DEFAULT\n option = '*** invalid ***'\n END SELECT\n WRITE (*,f6100) 'LUVBOUT', luvbout, TRIM(option)\n\n SELECT CASE ( ioform )\n CASE ( 1 )\n option = 'Will write output in Models-3 I/O API'\n CASE ( 2 )\n option = 'Will write output in netCDF'\n CASE DEFAULT\n option = '*** invalid ***'\n END SELECT\n WRITE (*,f6100) 'IOFORM ', ioform, TRIM(option)\n\n IF ( iflai ) THEN\n yesno = ''\n ELSE\n yesno = 'NOT'\n ENDIF\n WRITE (*,f6150) 'LAI', TRIM(yesno)\n\n IF ( iflufrc ) THEN\n yesno = ''\n ELSE\n yesno = 'NOT '\n ENDIF\n WRITE (*,f6150) 'FRACTIONAL LAND USE', TRIM(yesno)\n\n IF ( ( iflufrc ) .AND. ( met_model == 2 ) ) THEN\n IF ( ifluwrfout ) THEN\n yesno = 'WRF'\n ELSE\n yesno = 'GEO'\n ENDIF\n WRITE (*,f6160) 'FRACTIONAL LAND USE', TRIM(yesno)\n ENDIF\n\n IF ( ifmol ) THEN\n yesno = ''\n ELSE\n yesno = 'NOT'\n ENDIF\n WRITE (*,f6150) 'MONIN-OBUKHOV LENGTH', TRIM(yesno)\n\n IF ( ifmolpx ) THEN\n yesno = ''\n ELSE\n yesno = 'NOT'\n ENDIF\n WRITE (*,f6155) 'MONIN-OBUKHOV LENGTH', TRIM(yesno)\n\n IF ( ifresist ) THEN\n yesno = ''\n ELSE\n yesno = 'NOT'\n ENDIF\n WRITE (*,f6150) 'AERODYNAMIC AND STOMATAL RESISTANCE', TRIM(yesno)\n\n IF ( ift2m ) THEN\n yesno = ''\n ELSE\n yesno = 'NOT'\n ENDIF\n WRITE (*,f6150) '2-m TEMPERATURE', TRIM(yesno)\n\n IF ( ifq2m ) THEN\n yesno = ''\n ELSE\n yesno = 'NOT'\n ENDIF\n WRITE (*,f6150) '2-m MIXING RATIO', TRIM(yesno)\n\n IF ( ifveg ) THEN\n yesno = ''\n ELSE\n yesno = 'NOT'\n ENDIF\n WRITE (*,f6150) 'VEGETATION FRACTION', TRIM(yesno)\n\n IF ( ifw10m ) THEN\n yesno = ''\n ELSE\n yesno = 'NOT'\n ENDIF\n WRITE (*,f6150) '10-m WIND', TRIM(yesno)\n\n IF ( ifwr ) THEN\n yesno = ''\n ELSE\n yesno = 'NOT'\n ENDIF\n WRITE (*,f6150) 'CANOPY WETNESS', TRIM(yesno)\n\n IF ( ifznt ) THEN\n yesno = ''\n ELSE\n yesno = 'NOT'\n ENDIF\n WRITE (*,f6150) 'ROUGHNESS LENGTH', TRIM(yesno)\n\n IF ( ifsoil ) THEN\n yesno = ''\n ELSE\n yesno = 'NOT'\n ENDIF\n WRITE (*,f6150) 'SOIL MOISTURE, TEMPERATURE, AND TYPE', TRIM(yesno)\n WRITE (*,f6175) 'SOIL MOISTURE, TEMPERATURE, AND TYPE', TRIM(yesno)\n\n IF ( iftke ) THEN\n yesno = ''\n ELSE\n yesno = 'NOT'\n ENDIF\n WRITE (*,f6150) 'TURBULENT KINETIC ENERGY', TRIM(yesno)\n IF ( ( iftke ) .AND. ( .NOT. iftkef ) ) THEN\n WRITE (*,*) ' TKE is on half-layers'\n ELSE IF ( ( iftke ) .AND. ( iftkef ) ) THEN\n WRITE (*,*) ' TKE is on full-levels'\n ENDIF\n\n IF ( met_urban_phys >= 1 ) THEN\n yesno = ''\n ELSE\n yesno = 'NOT'\n ENDIF\n IF ( met_model == 2 ) THEN\n WRITE (*,f6180) 'URBAN CANOPY MODEL (WRF ONLY)', TRIM(yesno)\n ENDIF\n\n IF ( ifcld3d ) THEN\n yesno = ''\n ELSE\n yesno = 'NOT'\n ENDIF\n WRITE (*,f6150) '3D RESOLVED CLOUD FRACTION', TRIM(yesno)\n\n IF ( ifpxwrf41 ) THEN\n yesno = ''\n ELSE\n yesno = 'NOT'\n ENDIF\n WRITE (*,f6175) 'ADDITIONAL PX SURFACE VARIABLES', TRIM(yesno)\n\n IF ( ifkfradextras ) THEN\n yesno = ''\n ELSE\n yesno = 'NOT'\n ENDIF\n WRITE (*,f6175) 'ADDITIONAL KF-RAD 3D VARIABLES', TRIM(yesno)\n\n IF ( met_hybrid > 0 ) THEN\n yesno = ''\n ELSE\n yesno = 'NOT'\n ENDIF\n WRITE (*,f6180) 'HYBRID VERTICAL COORDINATE', TRIM(yesno)\n\n WRITE (*,'(/)')\n WRITE (*,f6200) 'Met ', met_nx, met_ny, metlay\n WRITE (*,f6200) 'MCIP X', ncols_x, nrows_x, metlay\n WRITE (*,f6200) 'Output', ncols, nrows, nlays\n WRITE (*,'(/)')\n\n WRITE (*,*) 'Output grid resolution: ', xcell_gd / 1000.0, ' km'\n WRITE (*,*) 'Window domain origin on met domain (col,row): ', &\n x0, ', ', y0\n WRITE (*,*) 'Window domain far corner on met domain (col,row): ', &\n x0 + ncg_x, ', ', y0 + ncg_y\n\n WRITE (*,'(/)')\n WRITE (*,\"(' Cells and points for diagnostic prints')\")\n WRITE (*,f6300) 'LPRT_COL ', 'LPRT_ROW ', lprt_col, lprt_row\n WRITE (*,f6300) 'LPRT_XCOL', 'LPRT_XROW', lprt_xcol, lprt_xrow\n WRITE (*,f6300) 'LPRT_METX', 'LPRT_METY', lprt_metx, lprt_mety\n\n WRITE (*,'(/)')\n WRITE (*,\"(' IOAPI header variables:')\")\n\n WRITE (*,f6400) 'GDTYP3D', gdtyp_gd\n WRITE (*,f6500) 'GDNAM3D', gdname_gd\n WRITE (*,f6600) 'P_ALP3D', p_alp_gd\n WRITE (*,f6600) 'P_BET3D', p_bet_gd\n WRITE (*,f6600) 'P_GAM3D', p_gam_gd\n WRITE (*,f6600) 'XCENT3D', xcent_gd\n WRITE (*,f6600) 'YCENT3D', ycent_gd\n WRITE (*,f6600) 'XORIG3D', xorig_gd\n WRITE (*,f6600) 'YORIG3D', yorig_gd\n WRITE (*,f6600) 'XCELL3D', xcell_gd\n WRITE (*,f6600) 'YCELL3D', ycell_gd\n WRITE (*,f6400) 'VGTYP3D', vgtyp_gd\n WRITE (*,f6600) 'VGTOP3D', vgtop_gd\n\nEND SUBROUTINE setgriddefs\n" }, { "path": "PREP/mcip/src/setup.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nSUBROUTINE setup (ctmlays)\n\n!-------------------------------------------------------------------------------\n! Name: Set Up the Input Meteorology Domain Attributes\n! Purpose: Establishes bounds for MM5 or WRF post-processing.\n! Revised: 10 Sep 2001 Original version. (T. Otte)\n! 07 Jan 2002 Changed file name to explicit file rather than\n! Fortran unit to improve portability. (S. Howard\n! and T. Otte)\n! 09 Jan 2002 Changed calls to \"abort\" to calls to \"m3exit\" for\n! graceful shut-down of I/O API files. (T. Otte)\n! 26 May 2005 Added WRF capability. Changed routine name from\n! SETUPMM5 to SETUP to make code more general. (T. Otte)\n! 09 Apr 2007 Removed option to handle MM5v2-formatted data.\n! (T. Otte)\n! 22 Apr 2008 Set WRF DYN_OPT to 2 (mass core) for WRFv3 and\n! beyond because support for other cores within WRF-ARW\n! was discontinued in WRFv3. (T. Otte)\n! 17 Mar 2010 Changed all calls to netCDF routines to use the\n! Fortran interface rather than the C interface.\n! Rearranged subroutine to improve efficiency. Removed\n! dependency on module WRF_NETCDF. Improved clarity\n! in some error-handling messages. Added CDFID to the\n! argument list for subroutine SETUP_WRFEM. (T. Otte)\n! 31 Aug 2011 Changed name of module FILE to FILES to avoid conflict\n! with F90 protected intrinsic. Updated netCDF commands\n! to F90, and improved error handling. Changed F77\n! character declarations to F90 standard. (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n! 14 Sep 2018 Removed support for MM5v3 input. (T. Spero)\n! 15 Nov 2018 Allow WRFv4.0 input to be used. (T. Spero)\n!-------------------------------------------------------------------------------\n\n USE mcipparm\n USE metinfo\n USE files\n USE netcdf\n\n IMPLICIT NONE\n\n INTEGER :: cdfid\n REAL, INTENT(INOUT) :: ctmlays ( maxlays )\n CHARACTER(LEN=19) :: gridtype\n INTEGER :: istat\n CHARACTER(LEN=16), PARAMETER :: pname = 'SETUP'\n INTEGER :: rcode\n CHARACTER(LEN=80) :: wrfversion\n\n!-------------------------------------------------------------------------------\n! Error, warning, and informational messages.\n!-------------------------------------------------------------------------------\n\n CHARACTER(LEN=256), PARAMETER :: f9000 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** ERROR OPENING WRF NETCDF FILE', &\n & /, 1x, '*** FILE = ', a, &\n & /, 1x, '*** NCF: ', a, &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9200 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** UNKNOWN WRF OUTPUT VERSION', &\n & /, 1x, '*** IVERSION = ', i3, &\n & /, 1x, '*** GRIDTYPE = ', a, &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9300 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** ERROR RETRIEVING VARIABLE FROM WRF FILE', &\n & /, 1x, '*** VARIABLE = ', a, &\n & /, 1x, '*** NCF: ', a, &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9400 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** UNKNOWN OR UNSUPPORTED WRF OUTPUT VERSION', &\n & /, 1x, '*** VERSION = ', a, &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9500 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** ERROR CLOSING WRF FILE', &\n & /, 1x, '*** NCF: ', a, &\n & /, 1x, 70('*'))\"\n\n!-------------------------------------------------------------------------------\n! Try to determine if input meteorology file is in NetCDF format or not.\n! If NetCDF format, it is probably WRF.\n!-------------------------------------------------------------------------------\n\n rcode = nf90_open (file_mm(1), nf90_nowrite, cdfid)\n\n IF ( rcode == nf90_noerr ) THEN ! successfully opened NetCDF file; assume WRF\n\n !---------------------------------------------------------------------------\n ! If WRF, determine whether or not the Advanced Research WRF, ARW, formerly\n ! known as Eulerian mass, EM) version was used.\n !---------------------------------------------------------------------------\n\n met_model = 2\n\n rcode = nf90_get_att (cdfid, nf90_global, 'DYN_OPT', met_iversion)\n IF ( rcode /= nf90_noerr ) THEN\n rcode = nf90_get_att (cdfid, nf90_global, 'TITLE', wrfversion)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9300) TRIM(pname), 'TITLE', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n IF ( wrfversion(18:19) >= \"V3\" ) THEN\n met_iversion = 2 ! NCAR only supports mass core in WRFv3 and beyond\n ELSE\n WRITE (*,f9400) TRIM(pname), TRIM(wrfversion)\n CALL graceful_stop (pname)\n ENDIF\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'GRIDTYPE', gridtype)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9300) TRIM(pname), 'GRIDTYPE', rcode\n CALL graceful_stop (pname)\n ENDIF\n\n IF ( ( met_iversion == 2 ) .AND. ( gridtype(1:1) == \"C\" ) ) THEN\n CALL setup_wrfem (cdfid, ctmlays)\n ELSE\n WRITE (*,f9200) TRIM(pname), met_iversion, gridtype\n CALL graceful_stop (pname)\n ENDIF\n\n rcode = nf90_close (cdfid)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9500) TRIM(pname), TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n ELSE ! error opening file as NetCDF\n\n WRITE (*,f9000) TRIM(pname), TRIM(file_mm(1)), TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n\n ENDIF\n\nEND SUBROUTINE setup\n" }, { "path": "PREP/mcip/src/setup_wrfem.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nSUBROUTINE setup_wrfem (cdfid, ctmlays)\n\n!-------------------------------------------------------------------------------\n! Name: Set Up the WRF Domain Attributes\n! Purpose: Establishes bounds for WRF post-processing.\n! Revised: ?? Jun 2004 Modified from MCIP2.2 for WRF. (S.-B. Kim)\n! 26 May 2005 Changed vertical dimension to reflect full-layer\n! dimension in WRFv2 header. Added dynamic calculation\n! of MET_TAPFRQ. Converted dimensions to X,Y as opposed\n! to the (former) convention that aligned with MM5.\n! Included updates from MCIPv2.3. Added calculation of\n! cone factor. Added logic for moist species, 2-m\n! temperature, and 10-m winds. Added definitions for\n! WRF base state variables. Added capability to use all\n! WRF layers for MCIP without defining a priori.\n! Cleaned up code. (T. Otte)\n! 15 Jul 2005 Added debugging on variable retrievals. Changed check\n! on 3D mixing ratios from rain to ice. Corrected RADM\n! seasons for Southern Hemisphere. Corrected variable\n! name for retrieval of surface physics option. (T. Otte)\n! 18 Aug 2005 Changed internal variable SIGN to FAC to avoid\n! confusion with F90 intrinsic function. (T. Otte)\n! 10 Apr 2006 Corrected checking of I/O API variables for Mercator\n! projection. (T. Otte)\n! 12 May 2006 Corrected setting of I/O API variables for polar\n! stereographic projection. Revised defining and\n! setting projection variables for module METINFO.\n! Added restriction on using Eta/Ferrier microphysics\n! scheme where QCLOUD represents total condensate.\n! (T. Otte)\n! 20 Jun 2006 Changed setting of IDTSEC from REAL to INTEGER\n! value. (T. Otte)\n! 27 Jul 2007 Removed settings for RADMdry variable ISESN and for\n! MET_INHYD. Updated read of P_TOP to account for new\n! method of storing \"real\" scalars in WRF I/O API with\n! WRFv2.2. Added checks for fractional land use, leaf\n! area index, Monin-Obukhov length, aerodynamic and\n! stomatal resistances, vegetation fraction, canopy\n! wetness, and soil moisture, temperature, and type in\n! WRF file. Added read for number of land use\n! categories...new with WRFV2.2. Added read for number\n! of soil layers, MET_RELEASE, MET_FDDA_3DAN and\n! MET_FDDA_OBS. Set MET_FDDA_SFAN to 0 for now because\n! that option is not in WRF ARW as of V2.2. Changed\n! MET_RADIATION into MET_LW_RAD and MET_SW_RAD.\n! (T. Otte)\n! 06 May 2008 Changed criteria for setting NUMMETLU when netCDF\n! dimension \"land_cat_stag\" does not exist. Added\n! checks to determine if 2-m mixing ratio (Q2) and\n! turbulent kinetic energy (TKE_MYJ) arrays exist, and\n! set flags appropriately. Extract nudging coefficients\n! from header to use in metadata. Extract whether or\n! not the urban canopy model was used. (T. Otte)\n! 27 Oct 2009 Cleaned up file opening and logging in WRF I/O API to\n! prevent condition with too many files open for long\n! simulations. Added MODIFIED IGBP MODIS NOAH and \n! NLCD/MODIS as land-use classification options.\n! Changed MET_UCMCALL to MET_URBAN_PHYS, and allowed\n! for variable to be set to be greater than 1. Chnaged\n! code to allow for surface analysis nudging option\n! and coefficients to be defined per WRFv3.1. Define\n! MET_CEN_LAT, MET_CEN_LON, MET_RICTR_DOT, MET_RJCTR_DOT,\n! and MET_REF_LAT. Increased MAX_TIMES to 1000. Compute\n! MET_XXCTR and MET_YYCTR. Corrected setting for\n! DATE_INIT, and fill variable MET_RESTART. Read number\n! of land use categories from WRF global attributes for\n! WRFV3.1 and beyond. Allow output from WRF\n! Preprocessing System (WPS) routine, GEOGRID, to provide\n! fractional land use output if it is unavailable in WRF\n! output. Fill MET_P_ALP_D and MET_P_BET_D here\n! rather than in setgriddefs.F for Mercator. Added\n! new logical variables IFLUWRFOUT and IFZNT. (T. Otte)\n! 12 Feb 2010 Removed unused variables COMM and SYSDEP_INFO.\n! (T. Otte)\n! 18 Mar 2010 Added CDFID as an input argument, and no longer open\n! and close WRF history file here. Added CDFIDG as an\n! input argument for subroutine CHKWPSHDR. (T. Otte)\n! 15 Dec 2010 Improved support for long MCIP runs from long WRF\n! runs by increasing MAX_TIMES to 9999. Added\n! MET_RAIN_BUCKET. (T. Otte)\n! 23 Feb 2011 Refined error checking for MET_RAIN_BUCKET. (T. Otte)\n! 11 Aug 2011 Added MET_SHAL_CU to input. Replaced module PARMS3\n! with I/O API module M3UTILIO. (T. Otte)\n! 24 Aug 2011 Changed name of module FILE to FILES to avoid conflict\n! with F90 protected intrinsic. Updated netCDF commands\n! to F90, and improved error handling. Replaced calls\n! to GET_TIMES_CDF with explicit netCDF functions.\n! (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n! 21 Nov 2011 Force 2-m water vapor mixing ratio from WRF with\n! YSU PBL to be filled with layer 1 QVAPOR to avoid\n! occasional Q2 < 0 in wintertime. (T. Otte)\n! 07 Dec 2011 Removed requirement to fill nudging coefficient for\n! moisture when spectral nudging is used in WRF; as of\n! WRFv3.3.1, spectral nudging toward moisture is not\n! released in WRF. Also added provision to collect\n! nudging coefficient for geopotential when spectral\n! nudging is used; was added to WRF header with WRFv3.2.\n! (T. Otte)\n! 21 Aug 2012 Added MET_PCP_INCR for WRFV3.2+. (T. Otte)\n! 10 Sep 2012 Added handling for 40-category 2006 NLCD-MODIS land\n! use classification as \"NLCD40\". Added alternate name\n! for 50-category 2001 NLCD-MODIS land use classification\n! as \"NLCD50\". (T. Otte)\n! 26 Nov 2014 Added reads of ice, lake, and urban land use indices,\n! and moved those definitions from getluse.f90 to this\n! routine. (T. Spero)\n! 10 Apr 2015 Determine if 3D cloud fraction is part of WRF output\n! and if it represents resolved clouds. Fill new logical\n! variable IFCLD3D appropriately so that if resolved\n! cloud fraction is available, it will be passed through\n! in output. (T. Spero)\n! 21 Aug 2015 Added flag to capture whether ACM2 was run so that\n! Monin-Obukhov length can be recalculated following\n! the \"corrector\" part of the predictor-corrector in\n! WRF/ACM2. (T. Spero)\n! 17 Sep 2015 Changed IFMOLACM to IFMOLPX. (T. Spero)\n! 21 Apr 2017 Added MODIS category 21 as \"Lake\". (T. Spero)\n! 23 Jun 2017 Added a check for WRF's hybrid vertical coordinate\n! in WRFv3.9 and beyond. Currently disabled MCIP when\n! that coordinate is detected. To be implemented in\n! a later release of MCIP. (T. Spero)\n! 09 Feb 2018 Added support for hybrid vertical coordinate in WRF\n! output. Added capability to read and process data\n! from the NOAH Mosaic land-surface model. (T. Spero)\n! 26 Jun 2018 Changed name of module with netCDF IO to broaden its\n! usage. Now use netCDF tokens for missing data.\n! (T. Spero)\n! 14 Sep 2018 Removed support for MM5v3 input. (T. Spero)\n! 23 Nov 2018 Modify criteria to determine whether incremental\n! precipitation is available in WRF output. WRFv4.0\n! allows header variable PREC_ACC_DT to appear even if\n! the accompanying precipitation fields are not in the\n! output. (T. Spero)\n! 14 Dec 2018 Added flag (IFRCURB) to determine if fraction of urban\n! area is obtained from urban canopy model. (T. Spero)\n! 10 May 2019 Removed layer collapsing. (T. Spero)\n! 18 Jun 2019 Added a flag (IFPXWRF41) to determine of new surface\n! variables with PX LSM are available to improve dust\n! simulation in CCTM. Added a flag (IFCURADFDBK) to\n! indicate if the convective scheme included radiative\n! feedbacks. Added a flag (IFKFRADEXTRAS) for extra\n! variables available with KF convective scheme with\n! radiative feedbacks. (T. Spero)\n! 07 Nov 2019 Expanded options to allow for surface analysis\n! nudging option 2 (FASDAS), which has been available\n! since WRFv3.8. (T. Spero)\n!-------------------------------------------------------------------------------\n\n USE metinfo\n USE date_pack\n USE mcipparm\n USE files\n USE netcdf_io\n USE const, ONLY: pi180\n USE netcdf\n\n IMPLICIT NONE\n\n INTEGER , INTENT(IN) :: cdfid\n INTEGER :: cdfid2\n INTEGER :: cdfidg\n REAL, INTENT(OUT) :: ctmlays ( maxlays )\n CHARACTER(LEN=19) :: date_init\n CHARACTER(LEN=19) :: date_start\n INTEGER :: dimid\n INTEGER :: dimids ( nf90_max_var_dims )\n REAL, ALLOCATABLE :: dum1d ( : )\n REAL, ALLOCATABLE :: dum2d ( : , : )\n REAL :: dx\n REAL :: dy\n REAL :: fac\n CHARACTER(LEN=256) :: fl\n CHARACTER(LEN=256) :: fl2\n CHARACTER(LEN=256) :: flg\n CHARACTER(LEN=256) :: geofile\n INTEGER :: icloud_cu\n INTEGER :: id_data\n INTEGER :: idtsec\n LOGICAL :: ifgeo\n LOGICAL :: ifisltyp\n LOGICAL :: ifra\n LOGICAL :: ifrs\n LOGICAL :: ifsmois\n LOGICAL :: iftslb\n LOGICAL :: ifu10m\n LOGICAL :: ifv10m\n INTEGER :: it\n INTEGER :: ival\n INTEGER :: lent\n INTEGER :: n_times\n INTEGER :: nxm\n INTEGER :: nym\n CHARACTER(LEN=16), PARAMETER :: pname = 'SETUP_WRFEM'\n INTEGER :: rcode\n REAL :: rval\n CHARACTER(LEN=19), ALLOCATABLE :: times ( : )\n CHARACTER(LEN=19), ALLOCATABLE :: times2 ( : )\n INTEGER :: varid\n CHARACTER(LEN=80) :: wrfversion\n\n!-------------------------------------------------------------------------------\n! Error, warning, and informational messages.\n!-------------------------------------------------------------------------------\n\n CHARACTER(LEN=256), PARAMETER :: f6000 = \"(/, 1x, &\n & '- SUBROUTINE SETUP_WRFEM - READING WRF HEADER')\"\n CHARACTER(LEN=256), PARAMETER :: f6100 = \"(3x, &\n & 'WRF GRID DIMENSIONS (X,Y,Z) ', i4, 1x, i4, 1x, i3, //)\"\n\n CHARACTER(LEN=256), PARAMETER :: f9000 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** MISMATCH IN DX AND DY', &\n & /, 1x, '*** DX, DY = ', 2(f7.2), &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9100 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** UNKNOWN LAND USE CLASSIFICATION', &\n & /, 1x, '*** FIRST THREE LETTERS = ', a, &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9225 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** QCLOUD NOT FOUND IN WRF OUTPUT...STOPPING', &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9250 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** ETA/FERRIER SCHEME IS NOT SUPPORTED IN CMAQ', &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9275 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** FOUND QCLOUD BUT NOT QRAIN...STOPPING', &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9300 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** NQSPECIES SET AT 3',&\n & /, 1x, '*** MCIP NEEDS TO BE MODIFIED FOR THIS CASE', &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9400 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** ERROR RETRIEVING VARIABLE FROM WRF FILE', &\n & /, 1x, '*** VARIABLE = ', a, &\n & /, 1x, '*** NCF: ', a, &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9410 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** ERROR RETRIEVING NCF ID FROM WRF FILE', &\n & /, 1x, '*** VARIABLE = ', a, &\n & /, 1x, '*** NCF: ', a, &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9420 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** ERROR INQUIRING ABOUT VAR IN WRF FILE', &\n & /, 1x, '*** VARIABLE = ', a, &\n & /, 1x, '*** NCF: ', a, &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9430 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** ERROR RETRIEVING DIMS FROM WRF FILE', &\n & /, 1x, '*** VARIABLE = ', a, &\n & /, 1x, '*** NCF: ', a, &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9500 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** ONLY FOUND ONE FILE WITH ONE TIME PERIOD', &\n & /, 1x, '*** SETTING OUTPUT FREQUENCY TO 1 MINUTE', &\n & /, 1x, 70('*'))\" \n\n CHARACTER(LEN=256), PARAMETER :: f9550 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** NEED PRECIPITATION ACCUMULATION IN WRF TO MATCH', &\n & /, 1x, '*** MCIP OUTPUT INTERVAL', &\n & /, 1x, '*** PREC_ACC_DT from WRF: ', i4, &\n & /, 1x, '*** INTVL from MCIP: ', i4, &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9600 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** ERROR OPENING WRF NETCDF FILE', &\n & /, 1x, '*** FILE = ', a, &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9700 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** ERROR CLOSING WRF NETCDF FILE', &\n & /, 1x, '*** FILE = ', a, &\n & /, 1x, 70('*'))\"\n\n CHARACTER(LEN=256), PARAMETER :: f9800 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** DID NOT FIND FRACTIONAL LAND USE IN wrfout', &\n & /, 1x, '*** AND DID NOT FIND GEOGRID FILE' &\n & /, 1x, '*** -- WILL NOT USE FRACTIONAL LAND USE DATA' &\n & /, 1x, 70('*'))\"\n\n!-------------------------------------------------------------------------------\n! Extract NX, NY, and NZ.\n!-------------------------------------------------------------------------------\n\n WRITE (*,f6000)\n\n fl = file_mm(1)\n\n rcode = nf90_get_att (cdfid, nf90_global, 'WEST-EAST_GRID_DIMENSION', met_nx)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9400) TRIM(pname), 'WEST-EAST_GRID_DIMENSION', &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'SOUTH-NORTH_GRID_DIMENSION', &\n met_ny)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9400) TRIM(pname), 'SOUTH-NORTH_GRID_DIMENSION', &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'BOTTOM-TOP_GRID_DIMENSION', ival)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9400) TRIM(pname), 'BOTTOM-TOP_GRID_DIMENSION', &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ELSE\n met_nz = ival - 1\n ENDIF\n\n WRITE (*,f6100) met_nx, met_ny, met_nz\n\n met_rictr_dot = FLOAT(met_nx - 1) / 2.0 + 1.0\n met_rjctr_dot = FLOAT(met_ny - 1) / 2.0 + 1.0\n\n!-------------------------------------------------------------------------------\n! If layer structure was not defined in user namelist, use WRF layers.\n!-------------------------------------------------------------------------------\n\n nlays = met_nz\n CALL get_var_1d_real_cdf (cdfid, 'ZNW', ctmlays(1:nlays+1), 1, rcode)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9400) TRIM(pname), 'ZNW', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Extract domain attributes.\n!-------------------------------------------------------------------------------\n\n rcode = nf90_get_att (cdfid, nf90_global, 'TITLE', wrfversion)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9400) TRIM(pname), 'TITLE', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'DX', dx)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9400) TRIM(pname), 'DX', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'DY', dy)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9400) TRIM(pname), 'DY', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n IF (dx == dy) THEN\n met_resoln = dx\n ELSE\n WRITE (*,f9000) TRIM(pname), dx, dy\n CALL graceful_stop (pname)\n ENDIF\n\n met_nxcoarse = met_nx \n met_nycoarse = met_ny\n met_gratio = 1\n met_x_11 = 1\n met_y_11 = 1\n\n rcode = nf90_get_att (cdfid, nf90_global, 'MAP_PROJ', met_mapproj)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9400) TRIM(pname), 'MAP_PROJ', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'STAND_LON', met_proj_clon)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9400) TRIM(pname), 'STAND_LON', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'MOAD_CEN_LAT', met_proj_clat)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9400) TRIM(pname), 'MOAD_CEN_LAT', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'CEN_LON', met_cen_lon)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9400) TRIM(pname), 'CEN_LON', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n met_x_centd = met_cen_lon\n\n rcode = nf90_get_att (cdfid, nf90_global, 'CEN_LAT', met_cen_lat)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9400) TRIM(pname), 'CEN_LAT', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n met_y_centd = met_cen_lat\n\n rcode = nf90_get_att (cdfid, nf90_global, 'TRUELAT1', met_tru1)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9400) TRIM(pname), 'TRUELAT1', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'TRUELAT2', met_tru2)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9400) TRIM(pname), 'TRUELAT2', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n SELECT CASE ( met_mapproj )\n \n CASE (1) ! Lambert conformal \n met_p_alp_d = MIN(met_tru1, met_tru2) ! true latitude 1 [degrees]\n met_p_bet_d = MAX(met_tru1, met_tru2) ! true latitude 2 [degrees]\n met_p_gam_d = met_proj_clon ! central meridian [degrees]\n IF ( met_proj_clat < 0.0 ) THEN\n fac = -1.0 ! Southern Hemisphere\n ELSE\n fac = 1.0 ! Northern Hemisphere\n ENDIF\n IF ( ABS(met_tru1 - met_tru2) > 1.0e-1 ) THEN\n met_cone_fac = ALOG10(COS(met_tru1 * pi180)) - &\n ALOG10(COS(met_tru2 * pi180))\n met_cone_fac = met_cone_fac / &\n ( ALOG10(TAN((45.0 - fac*met_tru1/2.0) * pi180)) - &\n ALOG10(TAN((45.0 - fac*met_tru2/2.0) * pi180)) )\n ELSE\n met_cone_fac = fac * SIN(met_tru1*pi180)\n ENDIF\n\n IF ( wrf_lc_ref_lat > -999.0 ) THEN\n met_ref_lat = wrf_lc_ref_lat\n ELSE\n met_ref_lat = ( met_tru1 + met_tru2 ) * 0.5\n ENDIF\n\n CALL ll2xy_lam (met_cen_lat, met_cen_lon, met_tru1, met_tru2, &\n met_proj_clon, met_ref_lat, met_xxctr, met_yyctr)\n \n CASE (2) ! polar stereographic\n met_p_alp_d = SIGN(1.0, met_y_centd) ! +/-1.0 for North/South Pole\n met_p_bet_d = met_tru1 ! true latitude [degrees]\n met_p_gam_d = met_proj_clon ! central meridian [degrees]\n met_cone_fac = 1.0 ! cone factor\n met_ref_lat = -999.0 ! not used\n\n CALL ll2xy_ps (met_cen_lat, met_cen_lon, met_tru1, met_proj_clon, &\n met_xxctr, met_yyctr)\n \n CASE (3) ! Mercator\n met_p_alp_d = 0.0 ! lat of coord origin [deg]\n met_p_bet_d = 0.0 ! (not used)\n met_p_gam_d = met_proj_clon ! lon of coord origin [deg]\n met_cone_fac = 0.0 ! cone factor\n met_ref_lat = -999.0 ! not used\n\n CALL ll2xy_merc (met_cen_lat, met_cen_lon, met_proj_clon, &\n met_xxctr, met_yyctr)\n \n CASE DEFAULT\n met_p_bet_d = fillreal ! missing\n met_p_alp_d = fillreal ! missing\n met_p_gam_d = fillreal ! missing\n met_cone_fac = fillreal ! missing\n met_ref_lat = fillreal ! missing\n \n END SELECT\n\n!-------------------------------------------------------------------------------\n! Extract model run options.\n!-------------------------------------------------------------------------------\n\n rcode = nf90_get_att (cdfid, nf90_global, 'MMINLU', met_lu_src)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9400) TRIM(pname), 'MMINLU', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'ISWATER', met_lu_water)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9400) TRIM(pname), 'ISWATER', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n rcode = nf90_inq_dimid (cdfid, 'soil_layers_stag', dimid)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9400) TRIM(pname), 'ID for soil_layers_stag', &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n rcode = nf90_inquire_dimension (cdfid, dimid, len=met_ns)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9400) TRIM(pname), 'value for soil_layers_stag', &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n ! Determine if NOAH Mosaic was run and created the correct output fields.\n ! Note that this code is temporarily modified later in this subroutine to\n ! toggle IFMOSAIC to FALSE if the fractional land use arrays are also not\n ! available. That change is temporary until a subroutine is added to\n ! reconstruct the fractional land use rank if it is missing.\n\n rcode = nf90_inq_dimid (cdfid, 'mosaic', dimid)\n IF ( rcode /= nf90_noerr ) THEN\n ifmosaic = .FALSE.\n ELSE\n rcode = nf90_inq_varid (cdfid, 'TSK_MOSAIC', rcode)\n IF ( rcode /= nf90_noerr ) THEN\n ifmosaic = .FALSE.\n ELSE\n rcode = nf90_inq_varid (cdfid, 'ZNT_MOSAIC', rcode)\n IF ( rcode /= nf90_noerr ) THEN\n ifmosaic = .FALSE.\n ELSE\n rcode = nf90_inq_varid (cdfid, 'LAI_MOSAIC', rcode)\n IF ( rcode /= nf90_noerr ) THEN\n ifmosaic = .FALSE.\n ELSE\n rcode = nf90_inq_varid (cdfid, 'RS_MOSAIC', rcode)\n IF ( rcode /= nf90_noerr ) THEN\n ifmosaic = .FALSE.\n ELSE\n ifmosaic = .TRUE.\n rcode = nf90_inquire_dimension (cdfid, dimid, len=nummosaic)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9400) TRIM(pname), 'value for mosaic', &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDIF\n ENDIF\n ENDIF\n ENDIF\n ENDIF\n\n\n ! NUM_LAND_CAT was added in WRFv3.1 to define number of land use categories.\n ! \"land_cat_stag\" was added in WRFv2.2 to define fractional land use.\n ! Older WRF runs do not include this dimension and they are restricted\n ! to 24-category USGS land cover.\n\n IF ( wrfversion(18:22) >= \"V3.1\" ) THEN ! WRFv3.1 or later\n\n rcode = nf90_get_att (cdfid, nf90_global, 'NUM_LAND_CAT', nummetlu)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9400) TRIM(pname), 'NUM_LAND_CAT', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'ISICE', met_lu_ice)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9400) TRIM(pname), 'ISICE', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'ISLAKE', met_lu_lake)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9400) TRIM(pname), 'ISLAKE', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'ISURBAN', met_lu_urban)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9400) TRIM(pname), 'ISURBAN', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n ELSE\n rcode = nf90_inq_dimid (cdfid, 'land_cat_stag', dimid)\n IF ( rcode /= nf90_noerr ) THEN ! only exists with fractional land use\n SELECT CASE ( met_lu_src(1:3) )\n CASE ( \"USG\" ) ! USGS -- typically 24, but can be up to 33 in V2.2+\n IF ( ( wrfversion(18:21) == \"V2.2\" ) .OR. &\n ( wrfversion(18:19) == \"V3\" ) ) THEN\n nummetlu = 33\n ELSE\n nummetlu = 24\n ENDIF\n met_lu_water = 16\n met_lu_ice = 24\n met_lu_urban = 1\n met_lu_lake = -1\n CASE ( \"OLD\" ) ! old MM5 13-category system\n nummetlu = 13\n met_lu_water = 7\n met_lu_ice = 11\n met_lu_urban = 1\n met_lu_lake = -1\n CASE ( \"SiB\" ) ! SiB 16-category system\n nummetlu = 16\n met_lu_water = 15\n met_lu_ice = 16\n met_lu_urban = -1\n met_lu_lake = -1\n CASE ( \"MOD\" ) ! Modified IGBP MODIS NOAH 33-category system\n nummetlu = 33\n met_lu_water = 17\n met_lu_ice = 15\n met_lu_urban = 13\n IF ( wrfversion(18:22) >= \"V3.8\" ) THEN ! WRFv3.8 or later\n met_lu_lake = 21\n ELSE\n met_lu_lake = -1\n ENDIF\n CASE ( \"NLC\" ) ! NLCD/MODIS combined system\n IF ( met_lu_src(4:6) == \"D40\") THEN\n nummetlu = 40\n met_lu_water = 17\n met_lu_ice = 15\n met_lu_urban = 13\n met_lu_lake = -1\n ELSE\n nummetlu = 50\n met_lu_water = 1\n met_lu_ice = 2\n met_lu_urban = 3\n met_lu_lake = -1\n ENDIF\n CASE DEFAULT\n WRITE (*,f9100) TRIM(pname), met_lu_src(1:3)\n CALL graceful_stop (pname)\n END SELECT\n ELSE\n rcode = nf90_inquire_dimension (cdfid, dimid, len=nummetlu)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9400) TRIM(pname), 'value for land_cat_stag', &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDIF\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'RA_LW_PHYSICS', met_lw_rad)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9400) TRIM(pname), 'RA_LW_PHYSICS', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'RA_SW_PHYSICS', met_sw_rad)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9400) TRIM(pname), 'RA_SW_PHYSICS', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'CU_PHYSICS', met_cumulus)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9400) TRIM(pname), 'CU_PHYSICS', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'MP_PHYSICS', met_expl_moist)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9400) TRIM(pname), 'MP_PHYSICS', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'BL_PBL_PHYSICS', met_pbl)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9400) TRIM(pname), 'BL_PBL_PHYSICS', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'SF_SFCLAY_PHYSICS', met_sfc_lay)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9400) TRIM(pname), 'SF_SFCLAY_PHYSICS', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'SF_SURFACE_PHYSICS', met_soil_lsm)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9400) TRIM(pname), 'SF_SURFACE_PHYSICS', &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n\n ! Determine if an urban model was used.\n\n IF ( wrfversion(18:21) >= \"V3.1\" ) THEN\n\n rcode = nf90_get_att (cdfid, nf90_global, 'SF_URBAN_PHYSICS', &\n met_urban_phys)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9400) TRIM(pname), 'SF_URBAN_PHYSICS', &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n ELSE IF ( wrfversion(18:21) == \"V3.0\" ) THEN\n\n rcode = nf90_get_att (cdfid, nf90_global, 'UCMCALL', met_urban_phys)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9400) TRIM(pname), 'SF_URBAN_PHYSICS', &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n ELSE \n\n ! In v2.2, header variable UCMCALL seems to always be 0 for nested runs,\n ! even when UCM is invoked. For now, use field TC_URB (canopy temperature)\n ! as a proxy to determine if the UCM was used. If the field does not exist,\n ! then the UCM was not used. If the field exists, determine if the data are\n ! \"reasonable\" (i.e., positive and non-zero); assume that UCM was used if\n ! the field contains \"physical\" data.\n\n nxm = met_nx - 1\n nym = met_ny - 1\n it = 1 ! use first time in file since some files just have one time\n ALLOCATE ( dum2d ( nxm, nym ) )\n CALL get_var_2d_real_cdf (cdfid, 'TC_URB', dum2d, it, rcode)\n IF ( ( rcode == nf90_noerr ) .AND. ( MAXVAL(dum2d) > 100.0 ) ) THEN ! UCM\n met_urban_phys = 1\n ELSE\n met_urban_phys = 0\n ENDIF\n DEALLOCATE ( dum2d )\n\n ENDIF\n\n IF ( met_urban_phys >= 1 ) THEN\n ifrcurb = .TRUE.\n ELSE\n ifrcurb = .FALSE.\n ENDIF\n\n\n ! Determine if shallow convection was used.\n\n IF ( wrfversion(18:21) >= \"V3.3\" ) THEN\n\n rcode = nf90_get_att (cdfid, nf90_global, 'SHCU_PHYSICS', met_shal_cu)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9400) TRIM(pname), 'SHCU_PHYSICS', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n IF ( met_shal_cu == 0 .AND. met_cumulus == 5 ) THEN ! Grell shallow on?\n rcode = nf90_get_att (cdfid, nf90_global, 'ISHALLOW', met_shal_cu)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9400) TRIM(pname), 'ISHALLOW', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDIF\n\n ELSE ! no way to easily tell if Grell 3D used shallow convection\n\n IF ( met_cumulus == 5 ) THEN ! Grell 3D\n met_shal_cu = -1\n ELSE\n met_shal_cu = 0\n ENDIF\n\n ENDIF\n\n met_snow_opt = 1 ! not used for WRF yet\n\n rcode = nf90_get_att (cdfid, nf90_global, 'BUCKET_MM', met_rain_bucket)\n IF ( rcode /= nf90_noerr ) THEN\n IF ( wrfversion(18:22) >= \"V3.2\" ) then ! BUCKET_MM implemented in WRFv3.2\n WRITE (*,f9400) TRIM(pname), 'BUCKET_MM', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ELSE\n met_rain_bucket = -1.0\n ENDIF\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'PREC_ACC_DT', rval)\n IF ( rcode /= nf90_noerr ) THEN\n IF ( wrfversion(18:22) >= \"V3.2\" ) then ! PREC_ACC_DT added in WRFv3.2\n WRITE (*,f9400) TRIM(pname), 'PREC_ACC_DT', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ELSE\n met_pcp_incr = 0\n ENDIF\n ELSE\n rcode = nf90_inq_varid (cdfid, 'PREC_ACC_C', rcode)\n rcode = rcode + nf90_inq_varid (cdfid, 'PREC_ACC_NC', rcode)\n IF ( rcode /= nf90_noerr ) THEN\n met_pcp_incr = 0\n ELSE\n met_pcp_incr = NINT(rval)\n ENDIF\n ENDIF\n\n IF ( met_pcp_incr > 0 ) THEN\n IF ( met_pcp_incr /= intvl ) THEN ! can't compute precip for CMAQ\n WRITE (*,f9550) TRIM(pname), met_pcp_incr, intvl\n CALL graceful_stop (pname)\n ENDIF\n ENDIF\n\n\n ! Determine if radiative feedbacks accompany the convective parameterization\n ! scheme.\n\n rcode = nf90_get_att (cdfid, nf90_global, 'ICLOUD_CU', ival)\n IF ( rcode == nf90_noerr ) THEN ! new enough version of WRF\n SELECT CASE ( ival )\n CASE ( 0 )\n ifcuradfdbk = .FALSE.\n CASE ( 1:2 ) ! 1=Grell, 2=KF or MSKF\n ifcuradfdbk = .TRUE.\n CASE DEFAULT\n ifcuradfdbk = .FALSE.\n END SELECT\n ELSE\n ifcuradfdbk = .FALSE.\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Extract WRF start date and time information.\n!-------------------------------------------------------------------------------\n\n rcode = nf90_get_att (cdfid, nf90_global, 'SIMULATION_START_DATE', date_init)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9400) TRIM(pname), 'SIMULATION_START_DATE', &\n TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n met_startdate = date_init(1:19) // '.0000'\n met_startdate(11:11) = \"-\" ! change from \"_\" to \"-\" for consistency\n\n rcode = nf90_get_att (cdfid, nf90_global, 'START_DATE', date_start)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9400) TRIM(pname), 'START_DATE', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n IF ( date_init == date_start ) THEN\n met_restart = 0\n ELSE\n met_restart = 1\n ENDIF\n\n rcode = nf90_inq_varid (cdfid, 'Times', id_data)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9410) TRIM(pname), 'Times', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n rcode = nf90_inquire_variable (cdfid, id_data, dimids=dimids)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9420) TRIM(pname), 'Times', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n rcode = nf90_inquire_dimension (cdfid, dimids(1), len=lent)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9430) TRIM(pname), 'Times', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n rcode = nf90_inquire_dimension (cdfid, dimids(2), len=n_times)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9430) TRIM(pname), 'Times', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n IF ( ALLOCATED ( times ) ) DEALLOCATE ( times )\n ALLOCATE ( times ( n_times ) )\n rcode = nf90_get_var (cdfid, id_data, times, &\n start=(/1,1/), count=(/lent,n_times/))\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9400) TRIM(pname), 'Times', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n IF ( n_times > 1 ) THEN\n CALL geth_idts (times(2)(1:19), times(1)(1:19), idtsec)\n ELSE\n fl2 = file_mm(2)\n IF ( fl2(1:10) == ' ' ) THEN\n WRITE (*,f9500) TRIM(pname)\n idtsec = 60\n ELSE\n rcode = nf90_open (fl2, nf90_nowrite, cdfid2)\n IF ( rcode == nf90_noerr ) THEN\n rcode = nf90_inq_varid (cdfid2, 'Times', id_data)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9410) TRIM(pname), 'Times', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n rcode = nf90_inquire_variable (cdfid2, id_data, dimids=dimids)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9420) TRIM(pname), 'Times', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n rcode = nf90_inquire_dimension (cdfid2, dimids(1), len=lent)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9430) TRIM(pname), 'Times', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n rcode = nf90_inquire_dimension (cdfid2, dimids(2), len=n_times)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9430) TRIM(pname), 'Times', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n IF ( ALLOCATED ( times2 ) ) DEALLOCATE ( times2 )\n ALLOCATE ( times2 ( n_times ) )\n rcode = nf90_get_var (cdfid2, id_data, times2, &\n start=(/1,1/), count=(/lent,n_times/))\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9400) TRIM(pname), 'Times', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n CALL geth_idts (times2(1)(1:19), times(1)(1:19), idtsec)\n ELSE\n WRITE (*,f9600) TRIM(pname), TRIM(fl2)\n CALL graceful_stop (pname)\n ENDIF\n rcode = nf90_close (cdfid2)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9700) TRIM(pname), TRIM(fl2)\n CALL graceful_stop (pname)\n ENDIF\n ENDIF\n ENDIF\n met_tapfrq = REAL(idtsec / 60) ! convert sec --> min\n\n!-------------------------------------------------------------------------------\n! Set variables for non-hydrostatic base state. There is no option for\n! hydrostatic run in WRF. The base state variables are not currently output\n! (as of WRFv2.2), so fill in \"default\" values from WRF namelist.\n!\n! Note: In WRFv2.2 NCAR changed the way \"real\" scalars (e.g., P_TOP) are\n! stored in the WRF I/O API.\n!-------------------------------------------------------------------------------\n\n IF ( (wrfversion(18:21) == \"V2.2\") .OR. (wrfversion(18:19) >= \"V3\") ) THEN\n CALL get_var_real_cdf (cdfid, 'P_TOP', met_ptop, rcode)\n ELSE\n ALLOCATE ( dum1d ( 1 ) )\n CALL get_var_1d_real_cdf (cdfid, 'P_TOP', dum1d, 1, rcode)\n met_ptop = dum1d(1)\n ENDIF\n\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9400) TRIM(pname), 'P_TOP', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n met_p00 = 100000.0 ! base state sea-level pressure [Pa]\n met_ts0 = 290.0 ! base state sea-level temperature [K]\n met_tlp = 50.0 ! base state lapse rate d(T)/d(ln P) from 1000 to 300 mb\n met_tiso = fillreal ! base state stratospheric isothermal T [K] ! not used\n\n!-------------------------------------------------------------------------------\n! Determine WRF release.\n!-------------------------------------------------------------------------------\n\n met_release = ' '\n\n IF ( wrfversion(18:18) == \"V\" ) THEN\n met_release(1:2) = wrfversion(18:19)\n ENDIF\n\n IF ( wrfversion(20:20) == '.' ) THEN\n met_release(3:4) = wrfversion(20:21)\n ENDIF\n\n IF ( wrfversion(22:22) == '.' ) THEN\n met_release(5:6) = wrfversion(22:23)\n ENDIF\n\n IF ( wrfversion(24:24) == '.' ) THEN\n met_release(7:8) = wrfversion(24:25)\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Determine FDDA options.\n!-------------------------------------------------------------------------------\n\n rcode = nf90_get_att (cdfid, nf90_global, 'GRID_FDDA', met_fdda_3dan)\n IF ( rcode /= nf90_noerr ) THEN\n IF ( TRIM(met_release) < 'V2.2' ) THEN\n met_fdda_3dan = 0 ! not implemented until V2.2\n ELSE\n WRITE (*,f9400) TRIM(pname), 'GRID_FDDA', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'GUV', met_fdda_gv3d)\n IF ( rcode /= nf90_noerr ) THEN\n IF ( TRIM(met_release) < 'V2.2' ) THEN\n met_fdda_gv3d = -1.0 ! not in header until V2.2\n ELSE IF ( met_fdda_3dan == 0 ) THEN\n met_fdda_gv3d = -1.0 ! not in header if analysis nudging is off\n ELSE\n WRITE (*,f9400) TRIM(pname), 'GUV', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'GT', met_fdda_gt3d)\n IF ( rcode /= nf90_noerr ) THEN\n IF ( TRIM(met_release) < 'V2.2' ) THEN\n met_fdda_gt3d = -1.0 ! not in header until V2.2\n ELSE IF ( met_fdda_3dan == 0 ) THEN\n met_fdda_gt3d = -1.0 ! not in header if analysis nudging is off\n ELSE\n WRITE (*,f9400) TRIM(pname), 'GT', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'GQ', met_fdda_gq3d)\n IF ( rcode /= nf90_noerr ) THEN\n IF ( TRIM(met_release) < 'V2.2' ) THEN\n met_fdda_gq3d = -1.0 ! not in header until V2.2\n ELSE IF ( met_fdda_3dan /= 1 ) THEN\n met_fdda_gq3d = -1.0 ! not in header if analysis nudging is off\n ELSE\n WRITE (*,f9400) TRIM(pname), 'GQ', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'GPH', met_fdda_gph3d)\n IF ( rcode /= nf90_noerr ) THEN\n IF ( TRIM(met_release) < 'V3.2' ) THEN\n met_fdda_gph3d = -1.0 ! not in header until V3.2\n ELSE IF ( met_fdda_3dan /= 2 ) THEN\n met_fdda_gph3d = -1.0 ! not in header if spectral nudging is off\n ELSE\n WRITE (*,f9400) TRIM(pname), 'GPH', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDIF\n\n IF ( TRIM(met_release) >= 'V3.1' ) THEN ! find sfc analysis nudging info\n\n rcode = nf90_get_att (cdfid, nf90_global, 'GRID_SFDDA', met_fdda_sfan)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9400) TRIM(pname), 'GRID_SFDDA', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n IF ( met_fdda_sfan == 1 .OR. met_fdda_sfan == 2 ) THEN\n\n rcode = nf90_get_att (cdfid, nf90_global, 'GUV_SFC', met_fdda_gvsfc)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9400) TRIM(pname), 'GUV_SFC', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'GT_SFC', met_fdda_gtsfc)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9400) TRIM(pname), 'GT_SFC', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'GQ_SFC', met_fdda_gqsfc)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9400) TRIM(pname), 'GQ_SFC', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n\n ELSE\n\n met_fdda_gvsfc = -1.0\n met_fdda_gtsfc = -1.0\n met_fdda_gqsfc = -1.0\n\n ENDIF\n\n ELSE\n met_fdda_sfan = 0 ! sfc analysis nudging not in WRF until V3.1\n met_fdda_gvsfc = -1.0\n met_fdda_gtsfc = -1.0\n met_fdda_gqsfc = -1.0\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'OBS_NUDGE_OPT', met_fdda_obs)\n IF ( rcode /= nf90_noerr ) THEN\n IF ( TRIM(met_release) < 'V2.2' ) THEN\n met_fdda_obs = 0 ! not implemented until V2.2\n ELSE\n WRITE (*,f9400) TRIM(pname), 'OBS_NUDGE_OPT', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'OBS_COEF_WIND', met_fdda_giv)\n IF ( rcode /= nf90_noerr ) THEN\n IF ( TRIM(met_release) < 'V2.2' ) THEN\n met_fdda_giv = -1.0 ! not in header until V2.2\n ELSE IF ( met_fdda_obs == 0 ) THEN\n met_fdda_giv = -1.0 ! not in header if obs nudging is off\n ELSE\n WRITE (*,f9400) TRIM(pname), 'OBS_COEF_WIND', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'OBS_COEF_TEMP', met_fdda_git)\n IF ( rcode /= nf90_noerr ) THEN\n IF ( TRIM(met_release) < 'V2.2' ) THEN\n met_fdda_git = -1.0 ! not in header until V2.2\n ELSE IF ( met_fdda_obs == 0 ) THEN\n met_fdda_git = -1.0 ! not in header if obs nudging is off\n ELSE\n WRITE (*,f9400) TRIM(pname), 'OBS_COEF_TEMP', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDIF\n\n rcode = nf90_get_att (cdfid, nf90_global, 'OBS_COEF_MOIS', met_fdda_giq)\n IF ( rcode /= nf90_noerr ) THEN\n IF ( TRIM(met_release) < 'V2.2' ) THEN\n met_fdda_giq = -1.0 ! not in header until V2.2\n ELSE IF ( met_fdda_obs == 0 ) THEN\n met_fdda_giq = -1.0 ! not in header if obs nudging is off\n ELSE\n WRITE (*,f9400) TRIM(pname), 'OBS_COEF_MOIS', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Determine whether or not fractional land use is available in the output.\n! Set the flag appropriately.\n!-------------------------------------------------------------------------------\n\n rcode = nf90_inq_varid (cdfid, 'LANDUSEF', varid)\n IF ( rcode == nf90_noerr ) THEN\n iflufrc = .TRUE. ! fractional land use is available\n ifluwrfout = .TRUE. ! fractional land use is located in WRF history file\n ELSE\n ifluwrfout = .FALSE. ! fractional land use is not available in WRF history\n geofile = TRIM( file_geo )\n INQUIRE ( FILE=geofile, EXIST=ifgeo )\n IF ( .NOT. ifgeo ) THEN\n WRITE (*,f9800) TRIM(pname)\n iflufrc = .FALSE.\n ELSE\n flg = file_geo\n rcode = nf90_open (flg, nf90_nowrite, cdfidg)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9600) TRIM(pname), TRIM(flg)\n CALL graceful_stop (pname)\n ENDIF\n CALL chkwpshdr (flg, cdfidg)\n rcode = nf90_inq_varid (cdfidg, 'LANDUSEF', varid)\n IF ( rcode == nf90_noerr ) THEN\n iflufrc = .TRUE. ! fractional land use is in the file\n ELSE\n iflufrc = .FALSE. ! fractional land use is not in the file\n ENDIF\n rcode = nf90_close (cdfidg)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9700) TRIM(pname),TRIM(flg)\n CALL graceful_stop (pname)\n ENDIF\n ENDIF\n ENDIF\n\n ! For now, require LANDUSEF2 and MOSAIC_CAT_INDEX to process NOAH Mosaic.\n ! IFMOSAIC is toggled to FALSE here if either field is missing.\n ! Can add a subroutine later to reconstruct those fields from LANDUSEF if\n ! LANDUSEF2 and/or MOSAIC_CAT_INDEX is missing.\n\n IF ( ifmosaic ) THEN\n rcode = nf90_inq_varid (cdfid, 'LANDUSEF2', varid)\n IF ( rcode == nf90_noerr ) THEN\n rcode = nf90_inq_varid (cdfid, 'MOSAIC_CAT_INDEX', varid)\n IF ( rcode == nf90_noerr ) THEN\n iflu2wrfout = .TRUE. ! lookup for LANDUSEF2 is in WRF history\n ELSE\n iflu2wrfout = .FALSE.\n ifmosaic = .FALSE.\n ENDIF\n ELSE\n iflu2wrfout = .FALSE. ! frac land use 2 is not available in WRF history\n ifmosaic = .FALSE.\n ENDIF\n ELSE\n iflu2wrfout = .FALSE.\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Determine whether or not the 2-m temperature, the 2-m mixing ratio, the\n! 10-m wind components, and the turbulent kinetic energy are in the output,\n! and set the flags appropriately.\n!-------------------------------------------------------------------------------\n\n rcode = nf90_inq_varid (cdfid, 'T2', varid)\n IF ( rcode == nf90_noerr ) THEN\n ift2m = .TRUE. ! 2-m temperature is in the file\n ELSE\n ift2m = .FALSE. ! 2-m temperature is not in the file\n ENDIF\n\n rcode = nf90_inq_varid (cdfid, 'Q2', varid)\n IF ( rcode == nf90_noerr ) THEN\n IF ( met_pbl == 1 ) THEN ! YSU PBL scheme\n ifq2m = .FALSE. ! do not use Q2 from YSU PBL; occasional winter negatives\n ELSE\n ifq2m = .TRUE. ! 2-m mixing ratio is in the file\n ENDIF\n ELSE\n ifq2m = .FALSE. ! 2-m mixing ratio is not in the file\n ENDIF\n\n rcode = nf90_inq_varid (cdfid, 'U10', varid)\n IF ( rcode == nf90_noerr ) THEN\n ifu10m = .TRUE. ! 10-m u-component wind is in the file\n ELSE\n ifu10m = .FALSE. ! 10-m u-component wind is not in the file\n ENDIF\n\n rcode = nf90_inq_varid (cdfid, 'V10', varid)\n IF ( rcode == nf90_noerr ) THEN\n ifv10m = .TRUE. ! 10-m v-component wind is in the file\n ELSE\n ifv10m = .FALSE. ! 10-m v-component wind is not in the file\n ENDIF\n\n IF ( ( ifu10m ) .AND. ( ifv10m ) ) THEN\n ifw10m = .TRUE.\n ELSE\n ifw10m = .FALSE.\n ENDIF\n\n rcode = nf90_inq_varid (cdfid, 'TKE_MYJ', varid)\n IF ( rcode == nf90_noerr ) THEN\n IF ( met_pbl == 2 ) THEN ! Mellor-Yamada-Janjic (Eta)\n iftke = .TRUE. ! turbulent kinetic energy is in the file\n iftkef = .FALSE. ! TKE is not on full-levels; it is on half-layers\n ELSE\n iftke = .FALSE. ! turbulent kinetic energy is not in the file\n iftkef = .FALSE.\n ENDIF\n ELSE\n iftke = .FALSE. ! turbulent kinetic energy is not in the file\n iftkef = .FALSE.\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Determine whether or not some surface variables are in the output, and set\n! the flags appropriately.\n!-------------------------------------------------------------------------------\n\n rcode = nf90_inq_varid (cdfid, 'LAI', varid)\n IF ( rcode == nf90_noerr ) THEN\n iflai = .TRUE. ! leaf area index is in the file\n ELSE\n iflai = .FALSE. ! leaf area index is not in the file\n ENDIF\n\n rcode = nf90_inq_varid (cdfid, 'RMOL', varid)\n IF ( rcode == nf90_noerr ) THEN\n ifmol = .TRUE. ! (inverse) Monin-Obukhov length is in the file\n ELSE\n ifmol = .FALSE. ! (inverse) Monin-Obukhov length is not in the file\n ENDIF\n\n IF ( met_soil_lsm == 7 ) THEN ! PX was used in WRF\n ifmolpx = .TRUE.\n rcode = nf90_inq_varid (cdfid, 'LAI_PX', varid) ! there are 7 variables\n rcode = rcode + nf90_inq_varid (cdfid, 'WWLT_PX', varid)\n rcode = rcode + nf90_inq_varid (cdfid, 'WFC_PX', varid)\n rcode = rcode + nf90_inq_varid (cdfid, 'WSAT_PX', varid)\n rcode = rcode + nf90_inq_varid (cdfid, 'CSAND_PX', varid)\n rcode = rcode + nf90_inq_varid (cdfid, 'FMSAND_PX', varid)\n rcode = rcode + nf90_inq_varid (cdfid, 'CLAY_PX', varid)\n IF ( rcode == nf90_noerr ) THEN\n ifpxwrf41 = .TRUE. ! all 7 variables are available\n ELSE\n ifpxwrf41 = .FALSE.\n ENDIF\n ELSE\n ifmolpx = .FALSE.\n ifpxwrf41 = .FALSE.\n ENDIF\n\n rcode = nf90_inq_varid (cdfid, 'RA', varid)\n IF ( rcode == nf90_noerr ) THEN\n ifra = .TRUE. ! aerodynamic resistance is in the file\n ELSE\n ifra = .FALSE. ! aerodynamic resistance is not in the file\n ENDIF\n\n rcode = nf90_inq_varid (cdfid, 'RS', varid)\n IF ( rcode == nf90_noerr ) THEN\n ifrs = .TRUE. ! stomatal resistance is in the file\n ELSE\n ifrs = .FALSE. ! stomatal resistance is not in the file\n ENDIF\n\n IF ( ( ifra ) .AND. ( ifrs ) ) THEN\n ifresist = .TRUE.\n ELSE\n ifresist = .FALSE.\n ENDIF\n\n rcode = nf90_inq_varid (cdfid, 'VEGFRA', varid)\n IF ( rcode == nf90_noerr ) THEN\n ifveg = .TRUE. ! vegetation fraction is in the file\n ELSE\n ifveg = .FALSE. ! vegetation fraction is not in the file\n ENDIF\n\n rcode = nf90_inq_varid (cdfid, 'CANWAT', varid)\n IF ( rcode == nf90_noerr ) THEN\n ifwr = .TRUE. ! canopy wetness is in the file\n ELSE\n ifwr = .FALSE. ! canopy wetness is not in the file\n ENDIF\n\n rcode = nf90_inq_varid (cdfid, 'SMOIS', varid)\n IF ( rcode == nf90_noerr ) THEN\n ifsmois = .TRUE. ! soil moisture is in the file\n ELSE\n ifsmois = .FALSE. ! soil moisture is not in the file\n ENDIF\n\n rcode = nf90_inq_varid (cdfid, 'TSLB', varid)\n IF ( rcode == nf90_noerr ) THEN\n iftslb = .TRUE. ! soil temperature is in the file\n ELSE\n iftslb = .FALSE. ! soil temperature is not in the file\n ENDIF\n\n rcode = nf90_inq_varid (cdfid, 'ISLTYP', varid)\n IF ( rcode == nf90_noerr ) THEN\n ifisltyp = .TRUE. ! soil type is in the file\n ELSE\n ifisltyp = .FALSE. ! soil type is not in the file\n ENDIF\n\n If ( ( ifsmois ) .AND. ( iftslb ) .AND. ( ifisltyp ) ) THEN\n ifsoil = .TRUE.\n ELSE\n ifsoil = .FALSE.\n ENDIF\n\n rcode = nf90_inq_varid (cdfid, 'ZNT', varid)\n IF ( rcode == nf90_noerr ) THEN\n ifznt = .TRUE. ! roughness length is in the file\n ELSE\n ifznt = .FALSE. ! roughness length is not in the file\n ENDIF\n\n IF ( met_cumulus == 1 .AND. ifcuradfdbk ) THEN ! KF-Rad was used in WRF\n rcode = nf90_inq_varid (cdfid, 'QC_CU', varid) ! there are 4 variables\n rcode = rcode + nf90_inq_varid (cdfid, 'QI_CU', varid)\n rcode = rcode + nf90_inq_varid (cdfid, 'CLDFRA_DP', varid)\n rcode = rcode + nf90_inq_varid (cdfid, 'CLDFRA_SH', varid)\n IF ( rcode == nf90_noerr ) THEN\n ifkfradextras = .TRUE. ! all 4 variables are available\n ELSE\n ifkfradextras = .FALSE.\n ENDIF\n ELSE\n ifkfradextras = .FALSE.\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Determine the number of 3D cloud moisture species. Assume that cloud water\n! mixing ratio and rain water mixing ratio will occur together. Also assume\n! that cloud ice mixing ratio and cloud snow mixing ratio will occur together,\n! but check for availability. Check for graupel, as well.\n! Note: In WRFv2.1.2 and prior, the Eta/Ferrier microphysics scheme only\n! outputs QCLOUD which represents total condensate, not cloud water mixing\n! ratio. CMAQv4.6 and prior cannot handle this field, so MCIP will stop in\n! this case.\n!-------------------------------------------------------------------------------\n\n rcode = nf90_inq_varid (cdfid, 'QCLOUD', varid)\n IF ( rcode == nf90_noerr ) THEN\n nqspecies = 1 ! QCLOUD is in the file\n ELSE ! need hydrometeor fields for CMAQ\n WRITE (*,f9225) TRIM(pname)\n CALL graceful_stop (pname)\n ENDIF\n\n rcode = nf90_inq_varid (cdfid, 'QRAIN', varid)\n IF ( rcode == nf90_noerr ) THEN\n nqspecies = nqspecies + 1 ! QRAIN is in the file\n ELSE\n IF ( met_expl_moist == 5 ) THEN ! Eta/Ferrier scheme\n WRITE (*,f9250) TRIM(pname)\n CALL graceful_stop (pname)\n ELSE\n WRITE (*,f9275) TRIM(pname)\n CALL graceful_stop (pname)\n ENDIF\n ENDIF\n\n rcode = nf90_inq_varid (cdfid, 'QICE', varid)\n IF ( rcode == nf90_noerr ) THEN\n nqspecies = nqspecies + 1 ! QICE is in the file\n ENDIF\n\n rcode = nf90_inq_varid (cdfid, 'QSNOW', varid)\n IF ( rcode == nf90_noerr ) THEN\n nqspecies = nqspecies + 1 ! QSNOW is in the file\n ENDIF\n\n IF ( nqspecies == 3 ) THEN ! not set up for QI w/o QS or vice versa\n WRITE (*,f9300) TRIM(pname)\n CALL graceful_stop (pname)\n ENDIF\n\n rcode = nf90_inq_varid (cdfid, 'QGRAUP', varid)\n IF ( rcode == nf90_noerr ) THEN\n nqspecies = nqspecies + 1 ! QGRAUP is in the file\n ENDIF\n\n IF ( nqspecies == 3 ) THEN ! not set up for QG without QI and QS\n WRITE (*,f9300) TRIM(pname)\n CALL graceful_stop (pname)\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Determine whether 3D resolved cloud fraction is part of WRF output. If\n! Kain-Fritsch scheme with radiative feedbacks to subgrid clouds is used (new\n! in WRFv3.6) or if MSKF is used (new in WRFv3.7) in WRF, then the 3D cloud\n! fraction includes both resolved and subgrid clouds.\n!-------------------------------------------------------------------------------\n\n rcode = nf90_inq_varid (cdfid, 'CLDFRA', varid)\n IF ( rcode == nf90_noerr ) THEN\n IF ( TRIM(met_release) >= 'V3.6' ) THEN\n rcode = nf90_get_att (cdfid, nf90_global, 'ICLOUD_CU', icloud_cu)\n IF ( rcode == nf90_noerr ) THEN\n IF ( ( ( met_cumulus == 1 ) .AND. ( icloud_cu == 2 ) ) .OR. &\n ( met_cumulus == 11 ) ) THEN\n ifcld3d = .FALSE. ! 3D resolved cloud fraction is not in the file\n ELSE\n ifcld3d = .TRUE. ! 3D resolved cloud fraction is in the file\n ENDIF\n ELSE\n ifcld3d = .TRUE. ! 3D resolved cloud fraction is in the file\n ENDIF\n ELSE\n ifcld3d = .TRUE. ! 3D resolved cloud fraction is in the file\n ENDIF\n ELSE\n ifcld3d = .FALSE. ! 3D cloud fraction is not if the file\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Determine if the hybrid vertical coordinate has been used in WRF. It is\n! available as of WRFv3.9.\n!-------------------------------------------------------------------------------\n\n IF ( TRIM(met_release) >= \"V3.9\") THEN\n rcode = nf90_get_att (cdfid, nf90_global, 'HYBRID_OPT', met_hybrid)\n IF ( rcode /= nf90_noerr ) THEN\n WRITE (*,f9400) TRIM(pname), 'HYBRID_OPT', TRIM(nf90_strerror(rcode))\n CALL graceful_stop (pname)\n ENDIF\n ELSE\n met_hybrid = -1\n ENDIF\n\nEND SUBROUTINE setup_wrfem\n" }, { "path": "PREP/mcip/src/sfclayer.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nSUBROUTINE sfclayer (theta1, theta2, u1, u2, z1, z2, hfx, ustar, amol)\n\n!-------------------------------------------------------------------------------\n! Name: Surface Layer\n! Purpose: Interpolate temperature to a given height using surface layer\n! similarity based on Hogstrom (1988).\n! Revised: 13 Oct 1998 Original version. (J. Pleim)\n! 20 Sep 2001 Converted to free-form f90. (T. Otte)\n! 25 Jan 2002 Corrected error in calculation of PSIM. (T. Otte)\n! 04 Aug 2004 Removed unused variable, RA, from calling argument\n! list. (T. Otte)\n! 20 Jun 2006 Removed unused variable ALOGZ1Z0. (T. Otte)\n! 12 Feb 2010 Removed unused argument Z0. (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n!-------------------------------------------------------------------------------\n\n USE const_pbl\n\n IMPLICIT NONE\n\n REAL :: alogz1z2\n REAL, INTENT(IN) :: amol ! Monin-Obukhov length [m]\n REAL, INTENT(IN) :: hfx ! sensible heat flux [W/m^2]\n REAL :: psih\n REAL :: psih0\n REAL :: psim\n REAL :: psim0\n REAL, INTENT(IN) :: theta1 ! pot'l temp at z1 [K]\n REAL, INTENT(OUT) :: theta2 ! pot'l temp at z2 [K]\n REAL, INTENT(IN) :: u1 ! wind speed at z1 [m/s]\n REAL, INTENT(OUT) :: u2 ! wind speed at z2 [m/s]\n REAL, INTENT(IN) :: ustar ! friction velocity [m/s]\n REAL :: x1\n REAL :: x2\n REAL, INTENT(IN) :: z1 ! height [m]\n REAL :: z1ol\n REAL, INTENT(IN) :: z2 ! height [m]\n REAL :: z2ol\n\n ! Compute psi functions from aerodynamic resistance.\n\n z1ol = z1 / amol\n z2ol = z2 / amol\n\n alogz1z2 = ALOG(z1/z2)\n\n IF ( z1ol >= 0.0 ) THEN\n\n IF ( z1ol > 1.0 ) THEN\n psih0 = 1.0 - betah - z1ol\n psim0 = 1.0 - betam - z1ol\n ELSE\n psih0 = - betah * z1ol\n psim0 = - betam * z1ol\n ENDIF\n\n IF ( z2ol > 1.0 ) THEN\n psih = psih0 - (1.0 - betah - z2ol)\n psim = psim0 - (1.0 - betam - z2ol)\n ELSE\n psih = psih0 + betah * z2ol\n psim = psim0 + betam * z2ol\n ENDIF\n\n ELSE\n\n psih = 2.0 * ALOG( (1.0 + SQRT(1.0 - gamah*z1ol)) / &\n (1.0 + SQRT(1.0 - gamah*z2ol)) )\n x1 = (1.0 - gamam * z1ol)**0.25\n x2 = (1.0 - gamam * z2ol)**0.25\n psim = 2.0 * ALOG( (1.0+x1) / (1.0+x2) ) + &\n ALOG( (1.0+x1*x1) / (1.0+x2*x2)) - &\n 2.0 * ATAN(x1) + 2.0 * ATAN(x2)\n\n ENDIF\n \n theta2 = theta1 - pro*hfx / (vkar*ustar) * (alogz1z2-psih)\n\n u2 = u1 - ustar/vkar * (alogz1z2-psim)\n u2 = MAX (u2, 0.1)\n \nEND SUBROUTINE sfclayer\n" }, { "path": "PREP/mcip/src/statflds.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nSUBROUTINE statflds\n\n!-------------------------------------------------------------------------------\n! Name: Static Fields\n! Purpose: Maps and calculates time-invariant fields on MCIP X grids.\n! Revised: 10 Sep 2001 Original version. (T. Otte)\n! 09 Jun 2003 Restricted output vertical structure so that layer\n! collapsing is not used to create a thinner lowest or\n! top layer than input meteorology. (T. Otte)\n! 07 Jul 2004 Refined error-checking on vertical structure to\n! avoid machine truncation errors. (T. Otte)\n! 08 Apr 2005 Changed MET_KX to MET_NZ to make code more general.\n! Added condition that REFSTATE is only called for\n! non-hydrostatic MM5 input to MCIP. (T. Otte)\n! 18 Aug 2005 Changed internal variable EPSILON to EPSILONS to\n! avoid confusion with F90 intrinsic function. (T. Otte)\n! 30 Jul 2007 Removed use of MET_INHYD to limit MM5 processing.\n! Added call to BLDDESC to create metadata. (T, Otte)\n! 22 Dec 2010 Changed print statements from \"f8.6\" to \"f9.6\" to\n! take Intel compiler's recommendations and eliminate\n! warning messages. (T. Otte)\n! 29 Aug 2011 Improved error handling. (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n! 14 Sep 2018 Removed support for MM5v3. (T. Spero)\n!-------------------------------------------------------------------------------\n\n USE mcipparm\n USE coord\n USE metinfo\n USE metvars\n\n IMPLICIT NONE\n\n REAL, PARAMETER :: epsilons = 1.0e-6\n CHARACTER(LEN=16), PARAMETER :: pname = 'STATFLDS'\n\n!-------------------------------------------------------------------------------\n! Error, warning, and informational messages.\n!-------------------------------------------------------------------------------\n\n CHARACTER(LEN=256), PARAMETER :: f9000 = \"(/, 1x, 70('*'), &\n & /, 1x, '*** SUBROUTINE: ', a, &\n & /, 1x, '*** CANNOT COLLAPSE TO THINNER BOTTOM OR TOP LAYER THAN INPUT',&\n & /, 1x, '*** BOTTOM CTM, MET LAYERS: ', 2(2x, f9.6), &\n & /, 1x, '*** TOP CTM, MET LAYERS: ', 2(2x, f9.6), &\n & /, 1x, 70('*'))\"\n\n!-------------------------------------------------------------------------------\n! Verify that user input VGLVS_GD (from namelist variable CTMLAYS) is not\n! trying to create thinner lowest layer or thinner top layer than input\n! meteorology.\n!-------------------------------------------------------------------------------\n\n IF ( ( vglvs_gd(2) - sigmaf(2) > epsilons ) .OR. &\n ( -(vglvs_gd(nlays) - sigmaf(met_nz)) > epsilons ) ) THEN\n WRITE (*,f9000) TRIM(pname), vglvs_gd(2), sigmaf(2), vglvs_gd(nlays), &\n sigmaf(met_nz)\n CALL graceful_stop (pname)\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Get land use categories.\n!-------------------------------------------------------------------------------\n\n CALL getluse\n\n!-------------------------------------------------------------------------------\n! Put time-invariant fields on MCIP grid.\n!-------------------------------------------------------------------------------\n\n CALL metgrid2ctm\n\n!-------------------------------------------------------------------------------\n! Create metadata for output files.\n!-------------------------------------------------------------------------------\n\n CALL blddesc\n\nEND SUBROUTINE statflds\n" }, { "path": "PREP/mcip/src/vertarys.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nSUBROUTINE vertarys (ctmlays)\n\n!-------------------------------------------------------------------------------\n! Name: Vertical Arrays\n! Purpose: Define vertical structure arrays from input.\n! Revised: 20 Sep 2001 Original version. (T. Otte)\n! 09 Apr 2007 Added IMPLICIT NONE. (T. Otte)\n! 01 Sep 2011 Changed F77 character declarations to F90 standard.\n! (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n!-------------------------------------------------------------------------------\n\n USE mcipparm\n USE xvars\n USE coord\n USE vgrd\n\n IMPLICIT NONE\n\n REAL, INTENT(IN) :: ctmlays ( maxlays )\n CHARACTER(LEN=60) :: ifmt1\n INTEGER :: k\n INTEGER :: k1\n INTEGER :: k2\n INTEGER :: lbnd\n INTEGER :: lbnd2\n INTEGER :: nfull\n CHARACTER(LEN=2) :: str1\n CHARACTER(LEN=2) :: str2\n\n!-------------------------------------------------------------------------------\n! VGLVS_GD( 1...NLAYS+1 ):\n! The list of vertical coordinate surface values in the VGLVUN_GD units\n! Layer k extends from VGLVS3D( k ) to VGLVS3D( k+1 ).\n!-------------------------------------------------------------------------------\n\n vglvs_gd(1:nlays+1) = ctmlays(1:nlays+1)\n\n!-------------------------------------------------------------------------------\n! X3FACE_GD( 0: NLAYS ):\n! The list of vertical coordinate surface values in the VGLVUN_GD units \n! coverted to values monotonically increasing with altitude. ( 1 - VGLVS_GD )\n!-------------------------------------------------------------------------------\n\n lbnd = LBOUND(x3face_gd,1)\n\n DO k = 0, nlays\n x3face_gd(lbnd+k) = 1.0 - vglvs_gd(k+1)\n ENDDO\n\n!-------------------------------------------------------------------------------\n! Echo user-specified grid description info to log file.\n!-------------------------------------------------------------------------------\n\n nfull = nlays + 1\n\n k1 = nfull / 6\n k2 = MOD(nfull, 6)\n\n WRITE ( str1, '(i2)' ) k1 - 1\n WRITE ( str2, '(i2)' ) k2\n\n IF ( (k1 - 1) > 0 ) THEN\n IF ( k2 > 0 ) THEN\n ifmt1 = \"(/,4x,a,6(2x,f7.5),/,\" // str1 // \"(12x,6(2x,f7.5),/),12x,\" &\n & // str2 // \"(2x,f7.5),/)\"\n ELSE\n ifmt1 = \"(/,4x,a,6(2x,f7.5),/,\" // str1 // \"(12x,6(2x,f7.5),/))\"\n ENDIF\n ELSE\n IF ( k2 > 0 ) THEN\n ifmt1 = \"(/,4x,a,6(2x,f7.5),/,12x,\" // str2 // \"(2x,f7.5),/)\"\n ELSE\n ifmt1 = \"(/,4x,a,6(2x,f7.5),/)\"\n ENDIF\n ENDIF\n\n WRITE (*,ifmt1) 'VGLVS3D ', vglvs_gd\n\n WRITE (*, \"(1x, 78('-'), /)\")\n\n!-------------------------------------------------------------------------------\n! Layer definition for CTM coordinate (monotonic increase with height).\n! From X3FACE values, compute X3MIDL (layer middle coord. definition)\n! X3MIDL is defined in VGRD.\n!-------------------------------------------------------------------------------\n\n lbnd2 = LBOUND(x3face,1)\n\n x3face(lbnd2:lbnd2+nlays) = x3face_gd(lbnd:lbnd+nlays)\n\n DO k = 1, nlays\n x3midl(k) = 0.5 * ( x3face(k-1) + x3face(k) )\n ENDDO\n\nEND SUBROUTINE vertarys\n" }, { "path": "PREP/mcip/src/vertnhy_wrf.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nSUBROUTINE vertnhy_wrf\n\n!-------------------------------------------------------------------------------\n! Name: Vertical Velocities -- Non-Hydrostatic for WRF EM\n! Purpose: Computes contravariant vertical velocity for WRF EM data where\n! WRF is run with non-hydrostatic formulations.\n! Notes: Based on equation 12-123 in \"Science Algorithms of the EPA Models-3/\n! CMAQ Modeling System\" (EPA/600/R-99/030).\n! Revised: 22 Mar 2005 Original version. (T. Otte)\n! 20 Jun 2006 Updated calculations with double precision scalars\n! XCELL_GD and YCELL_GD. (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n!-------------------------------------------------------------------------------\n\n USE mcipparm\n USE xvars\n USE coord\n\n IMPLICIT NONE\n\n INTEGER :: cm1\n INTEGER :: col\n INTEGER :: cp1\n REAL, SAVE :: ddx2\n REAL, SAVE :: ddy2\n REAL :: dphidx\n REAL :: dphidy\n REAL :: dx\n REAL :: dy\n LOGICAL, SAVE :: firsttime = .TRUE.\n REAL, PARAMETER :: giwrf = 1.0 / 9.81\n REAL :: ji\n INTEGER :: lp1\n INTEGER :: lvl\n REAL :: mogn\n INTEGER :: rm1\n INTEGER :: row\n INTEGER :: rp1\n REAL :: ufcrs\n REAL :: vfcrs\n REAL, SAVE, ALLOCATABLE :: wght_bot ( : )\n REAL, SAVE, ALLOCATABLE :: wght_top ( : )\n\n!-------------------------------------------------------------------------------\n! On first call to subroutine, calculate vertical weights for interpolation.\n!-------------------------------------------------------------------------------\n\n IF ( firsttime ) THEN\n\n ALLOCATE ( wght_bot (metlay) )\n ALLOCATE ( wght_top (metlay) )\n\n dx = REAL(xcell_gd)\n dy = REAL(ycell_gd)\n\n ddx2 = 0.5 / dx\n ddy2 = 0.5 / dy\n \n DO lvl = 1, metlay-1\n wght_top(lvl) = ( xx3face(lvl) - xx3midl(lvl) ) / &\n ( xx3midl(lvl+1) - xx3midl(lvl) )\n wght_bot(lvl) = 1.0 - wght_top(lvl)\n ENDDO\n\n wght_bot(metlay) = 1.0\n wght_top(metlay) = 0.0\n\n firsttime = .FALSE.\n\n ENDIF\n\n!-------------------------------------------------------------------------------\n! Compute vertical velocity on full levels and scalar points. Here, the\n! horizontal wind components are on face points and mid-layers, so interpolation\n! is performed to obtain approximations of horizontal wind components on full\n! levels and at scalar points. The calculation of XWHAT follows from equation\n! 12-123 in \"Science Algorithms of the EPA Models-3/CMAQ Modeling System\" \n! (EPA/600/R-99/030). (XWHAT = XIdot)\n! XIdot = d(XI)/dt + (-m V dot del(H) + w) d(XI)/dz\n! = 0 + (-m V dot del(H) + w) * (1/Jacobian)\n! = - m u/J dH/dx - m v/J dH/dy + w/J\n! = - m u/Jg d(phi)/dx - m v/Jg d(phi)/dy + w/J\n!-------------------------------------------------------------------------------\n\n xwhat(:,:,metlay) = 0.0 ! velocity zero, at top\n xwhat(:,:,0) = 0.0 ! velocity zero, at bottom\n\n DO row = 1, nrows_x\n rp1 = MIN(row+1,nrows_x)\n rm1 = MAX(row-1,1)\n\n DO col = 1, ncols_x\n cp1 = MIN(col+1,ncols_x)\n cm1 = MAX(col-1,1)\n\n mogn = - xmapc(col,row) * giwrf\n\n DO lvl = 1, metlay-1\n lp1 = lvl + 1\n\n ji = 1.0 / x3jacobf(col,row,lvl)\n\n ufcrs = 0.5 * &\n ((xuu_s(col,row,lvl) + xuu_s(cp1,row,lvl)) * wght_bot(lvl) + &\n (xuu_s(col,row,lp1) + xuu_s(cp1,row,lp1)) * wght_top(lvl))\n\n vfcrs = 0.5 * &\n ((xvv_t(col,row,lvl) + xvv_t(col,rp1,lvl)) * wght_bot(lvl) + &\n (xvv_t(col,row,lp1) + xvv_t(col,rp1,lp1)) * wght_top(lvl))\n\n dphidx = (xgeof(cp1,row,lvl) - xgeof(cm1,row,lvl)) * ddx2\n\n dphidy = (xgeof(col,rp1,lvl) - xgeof(col,rm1,lvl)) * ddy2\n\n xwhat(col,row,lvl) = ji * ( (mogn * ufcrs * dphidx) + &\n (mogn * vfcrs * dphidy) + &\n xwwind(col,row,lvl) )\n\n ENDDO\n ENDDO\n ENDDO\n\nEND SUBROUTINE vertnhy_wrf\n" }, { "path": "PREP/mcip/src/vgrd_mod.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nMODULE vgrd\n\n!-------------------------------------------------------------------------------\n! Name: Vertical Grid Dimension Parameters\n! Purpose: Contains vertical grid dimension parameters.\n! Revised: ?? ??? 19?? Original version. (???)\n! 10 Sep 2001 Converted to free-form f90. Removed explicit\n! definition of NLAYS, and changed X3FACE and X3MIDL\n! to allocatable arrays. (T. Otte)\n! 09 Apr 2007 Added IMPLICIT NONE. (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n!-------------------------------------------------------------------------------\n\n IMPLICIT NONE\n\n REAL, ALLOCATABLE :: x3face ( : ) ! vert coord lyr sfc\n REAL, ALLOCATABLE :: x3midl ( : ) ! vert coord lyr ctr\n\nEND MODULE vgrd\n" }, { "path": "PREP/mcip/src/vstamp.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nSUBROUTINE vstamp\n\n!-------------------------------------------------------------------------------\n! Name: Version Stamp\n! Purpose: Writes version and release identification to log file.\n! Revised: 20 Sep 2001 Original version. (T. Otte)\n! 18 Oct 2001 Updated for second beta release of MCIPv2. (T. Otte)\n! 20 Nov 2001 Updated for third beta release of MCIPv2. (T. Otte)\n! 19 Mar 2002 Updated for release of MCIP Version 2.0. (T. Otte)\n! 27 Mar 2003 Updated for release of MCIP Version 2.1. (T. Otte)\n! 11 Jun 2003 Updated for release of MCIP Version 2.2. (T. Otte)\n! 18 Aug 2004 Updated for release of MCIP Version 2.3. (T. Otte)\n! 19 Aug 2005 Updated for release of MCIP Version 3.0 (T. Otte)\n! 27 Feb 2006 Updated for release of MCIP Version 3.1. (T. Otte)\n! 18 Aug 2006 Updated for release of MCIP Version 3.2. (T. Otte)\n! 31 Jul 2007 Moved version descriptors to MCIPPARM. Changed\n! \"RELEASED\" to \"FROZEN\" in the prints to be more\n! technically correct. (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n!-------------------------------------------------------------------------------\n\n USE mcipparm\n\n IMPLICIT NONE\n\n WRITE (*, \"(/, 1x, 78('='), /)\")\n WRITE (*, \"(18x, a)\") 'US EPA COMMUNITY MULTISCALE AIR QUALITY MODEL'\n WRITE (*, \"(20x, a, /)\") 'METEOROLOGY-CHEMISTRY INTERFACE PROCESSOR'\n WRITE (*, \"(27x, a, 1x, a, ' FROZEN ', a)\") &\n TRIM(progname), TRIM(ver), vdate\n WRITE (*, \"(/, 1x, 78('='), ///)\")\n\nEND SUBROUTINE vstamp\n" }, { "path": "PREP/mcip/src/vtemp.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nFUNCTION vtemp (temp, qmix)\n\n!-------------------------------------------------------------------------------\n! Name: Virtual Temperature\n! Purpose: Returns virtual temperature [K] as a function of temperature [K]\n! and specific humidity [kg/kg].\n! Revised: ?? ??? ???? Original version as a statement function in MCIP\n! routines metvars2ctm.f90 and getpblht.f90.\n! 23 Feb 2011 Converted to independent routine. (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n!-------------------------------------------------------------------------------\n\n IMPLICIT NONE\n\n REAL, INTENT(IN) :: temp ! temperature [K]\n REAL, INTENT(IN) :: qmix ! specific humidity [kg/kg]\n REAL :: vtemp ! virtual temperature [K]\n\n vtemp = temp * ( 1.0 + 0.6077 * qmix )\n\nEND FUNCTION vtemp\n" }, { "path": "PREP/mcip/src/wind.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nSUBROUTINE wind (u, v, wspd, wdir, xlon, xlonc, xn)\n\n!-------------------------------------------------------------------------------\n! Name: Calculate Wind from Components\n! Purpose: Calculate wind speed and direction from components.\n! Revised: 01 Apr 2002 Original version in VEROBS. (T. Otte)\n! 30 Apr 2004 Modified for MCIP. (T. Otte)\n! 09 Apr 2007 Removed dependency on module CONST_METE and added\n! dependency on module CONST. Explicitly declared\n! RAD2DEG, which was in CONST_METE. (T. Otte)\n! 12 Feb 2010 Corrected computation of wind direction when\n! U-component wind is effectively zero. Simplified\n! code by eliminating unnecessary IF/THEN/ELSE block.\n! Error and solution suggested by Talat Odman. (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n!-------------------------------------------------------------------------------\n\n USE const\n\n IMPLICIT NONE\n\n REAL :: diff\n REAL, PARAMETER :: rad2deg = REAL (1.8d2 / pi)\n REAL, INTENT(IN) :: u\n REAL, INTENT(IN) :: v\n REAL, INTENT(OUT) :: wdir\n REAL, INTENT(OUT) :: wspd\n REAL, INTENT(IN) :: xlon\n REAL, INTENT(IN) :: xlonc\n REAL, INTENT(IN) :: xn\n\n!-------------------------------------------------------------------------------\n! Compute wind speed by simple triangulation of components.\n!-------------------------------------------------------------------------------\n\n wspd = SQRT ( ( u * u ) + ( v * v ) )\n\n!-------------------------------------------------------------------------------\n! Find wind direction using simple trigonometry.\n! Modify wind direction so that it is earth-relative.\n!-------------------------------------------------------------------------------\n\n wdir = 270.0 - ( ATAN2(v,u) * rad2deg )\n\n diff = (xlonc - xlon) * xn\n IF (diff > 180.0) diff = diff - 360.0\n IF (diff < -180.0) diff = diff + 360.0\n\n wdir = wdir - diff\n\n IF (wdir > 360.0) wdir = wdir - 360.0\n IF (wdir < 0.0) wdir = wdir + 360.0\n\nEND SUBROUTINE wind\n" }, { "path": "PREP/mcip/src/wrfemopts.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nSUBROUTINE wrfemopts (txt_cupa, txt_microphys, txt_lwrad, txt_swrad, &\n txt_pbl, txt_sflay, txt_lsm, txt_urban, txt_shcu, txt_lu)\n\n!-------------------------------------------------------------------------------\n! Name: WRF ARW (EM) Options\n! Purpose: Writes WRF options to an array that will form metadata for this run.\n! Revised: 31 Jul 2007 Original version. (T. Otte)\n! 15 Apr 2008 Updated for WRFv3 options. (T. Otte)\n! 25 Aug 2009 Updated for WRFv3.1 options. Added urban model\n! to physics descriptions. (T. Otte)\n! 31 Aug 2011 Updated for WRFv3.2 and WRFv3.3. options. Added\n! shallow convection option to physics descriptions.\n! Changed F77 character declarations to F90 standard.\n! (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n! 11 May 2012 Updated for WRFv3.4 options. (T. Otte)\n! 23 Aug 2013 Updated for WRFv3.4.1 and WRFv3.5 optoins. (T. Otte)\n! 27 Apr 2015 Updated for WRFv3.6, WRFv3.6.1, and WRFv3.7.1\n! options. (T. Spero)\n! 20 Jun 2017 Updated for WRFv3.8, WRFv3.8.1, and WRFv3.9\n! options. (T. Spero)\n! 10 Feb 2018 Annotated LSM option if NOAH Mosaic is used. (T. Spero)\n! 23 Nov 2018 Updated for WRFv4.0 options. (T. Spero)\n! 18 Jun 2019 Updated for WRFv4.1 options. Improved metadata to\n! annotate if radiative feedbacks were included in the\n! convective scheme. (T. Spero)\n! 09 Apr 2024 Updated for options through WRFv4.5.2. Pulled options\n! from WRF Users Guide for v4.5. Also included options\n! planned for WRFv4.6 from their Git packages. (T. Spero)\n!-------------------------------------------------------------------------------\n\n USE metinfo\n USE mcipparm, ONLY: ifmosaic, ifcuradfdbk\n\n IMPLICIT NONE\n\n CHARACTER(LEN=1), PARAMETER :: blank0 = ' '\n INTEGER :: n\n CHARACTER(LEN=1), PARAMETER :: null0 = CHAR(0)\n CHARACTER(LEN=30), INTENT(OUT) :: txt_cupa\n CHARACTER(LEN=30), INTENT(OUT) :: txt_lsm\n CHARACTER(LEN=30), INTENT(OUT) :: txt_lu\n CHARACTER(LEN=30), INTENT(OUT) :: txt_lwrad\n CHARACTER(LEN=30), INTENT(OUT) :: txt_microphys\n CHARACTER(LEN=30), INTENT(OUT) :: txt_pbl\n CHARACTER(LEN=30), INTENT(OUT) :: txt_sflay\n CHARACTER(LEN=30), INTENT(OUT) :: txt_shcu\n CHARACTER(LEN=30), INTENT(OUT) :: txt_swrad\n CHARACTER(LEN=30), INTENT(OUT) :: txt_urban\n\n!-------------------------------------------------------------------------------\n! Determine cumulus parameterization scheme.\n!-------------------------------------------------------------------------------\n\n SELECT CASE ( met_cumulus )\n CASE ( 0 )\n txt_cupa = 'None'\n CASE ( 1 )\n IF ( ifcuradfdbk ) THEN ! feedback with radiation\n txt_cupa = 'KF with radiative feedback'\n ELSE\n txt_cupa = 'Kain-Fritsch'\n ENDIF\n CASE ( 2 )\n txt_cupa = 'Betts-Miller-Janjic'\n CASE ( 3 )\n IF ( met_release(1:4) >= \"V3.5\" ) THEN\n IF ( ifcuradfdbk ) THEN\n txt_cupa = 'GF with radiative feedback'\n ELSE\n txt_cupa = 'Grell-Freitas'\n ENDIF\n ELSE\n txt_cupa = 'Grell-Devenyi'\n ENDIF\n CASE ( 4 )\n txt_cupa = 'Old Simpl. Arakawa-Schubert'\n CASE ( 5 )\n IF ( ifcuradfdbk ) THEN\n txt_cupa = 'Grell G3 w radiative feedback'\n ELSE\n txt_cupa = 'Grell G3'\n ENDIF\n CASE ( 6 )\n txt_cupa = 'Tiedtke'\n CASE ( 7 )\n txt_cupa = 'Zhang-McFarlane (CESM)'\n CASE ( 10 )\n txt_cupa = 'Modified K-F with PDF trigger'\n CASE ( 11 )\n txt_cupa = 'MSKF with radiative feedback'\n CASE ( 14 )\n txt_cupa = 'KIAPS Simpl. Arakawa-Schubert'\n CASE ( 16 )\n txt_cupa = 'Newer Tiedtke'\n CASE ( 84 )\n txt_cupa = 'New Simpl. Ara-Schu HWRF'\n CASE ( 93 )\n txt_cupa = 'Grell-Devenyi'\n CASE ( 96 )\n txt_cupa = 'New Simpl. Ara-Schu (NSAS)'\n CASE ( 99 )\n txt_cupa = 'old Kain-Fritsch'\n CASE DEFAULT\n txt_cupa = '*** Unknown ***'\n END SELECT\n\n!-------------------------------------------------------------------------------\n! Determine explicit moisture (microphysics) scheme.\n!-------------------------------------------------------------------------------\n\n SELECT CASE ( met_expl_moist )\n CASE ( 0 )\n txt_microphys = 'None'\n CASE ( 1 )\n txt_microphys = 'Kessler'\n CASE ( 2 )\n txt_microphys = 'Purdue Lin et al.'\n CASE ( 3 )\n txt_microphys = 'WSM 3-Class Simple Ice'\n CASE ( 4 )\n txt_microphys = 'WSM 5-Class'\n CASE ( 5 )\n txt_microphys = 'Ferrier (Eta) Hi-Res'\n CASE ( 6 )\n txt_microphys = 'WSM 6-Class'\n CASE ( 7 )\n txt_microphys = 'Goddard GCE (4 ice)'\n CASE ( 8 )\n txt_microphys = 'Thompson'\n CASE ( 9 )\n txt_microphys = 'Millbrandt-Yau'\n CASE ( 10 )\n txt_microphys = 'Morrison 2-moment'\n CASE ( 11 )\n txt_microphys = 'CAM 5.1'\n CASE ( 12 )\n txt_microphys = 'Millbrandt'\n CASE ( 13 )\n txt_microphys = 'Stony Brook-Lin'\n CASE ( 14 )\n txt_microphys = 'WDM 5-class'\n CASE ( 15 )\n txt_microphys = 'Ferrier (Eta) Hi-Res Advect'\n CASE ( 16 )\n txt_microphys = 'WDM 6-class'\n CASE ( 17 )\n txt_microphys = 'NSSL 2-moment (const CCN)'\n CASE ( 18 )\n txt_microphys = 'NSSL 2-moment (dyn CCN)'\n CASE ( 19 )\n txt_microphys = 'NSSL 1-moment 7-class'\n CASE ( 21 )\n txt_microphys = 'NSSL 1-moment 6-class'\n CASE ( 22 )\n txt_microphys = 'NSSL 2-moment (no hail)'\n CASE ( 24 )\n txt_microphys = 'WSM 7-Class'\n CASE ( 26 )\n txt_microphys = 'WDM 7-Class'\n CASE ( 28 )\n txt_microphys = 'Aerosol-Aware Thompson'\n CASE ( 30 )\n txt_microphys = 'HUJI spectral bin -- fast'\n CASE ( 32 )\n txt_microphys = 'HUJI spectral bin -- full'\n CASE ( 38 )\n txt_microphys = 'Thompson Hail/Graupel/Aero'\n CASE ( 40 )\n txt_microphys = 'Morrison+CESM aerosol'\n CASE ( 50 )\n txt_microphys = 'P3 1-category'\n CASE ( 51 )\n txt_microphys = 'P3 1-cat + dbl-mom cld water'\n CASE ( 52 )\n txt_microphys = 'P3 2 ice'\n CASE ( 53 )\n txt_microphys = 'P3 3 ice'\n CASE ( 55 )\n txt_microphys = 'Jensen ISHMAEL'\n CASE ( 56 )\n txt_microphys = 'NTU'\n CASE ( 95 )\n txt_microphys = 'Ferrier (old Eta) NAM'\n CASE ( 96 )\n txt_microphys = 'MAD WRF'\n CASE ( 97 )\n txt_microphys = 'GSFC GCE'\n CASE ( 98 )\n IF ( met_release(1:4) >= \"V3.1\" ) THEN\n txt_microphys = 'old Thompson scheme'\n ELSE\n txt_microphys = 'NCEP 3-Class Simple Ice'\n ENDIF\n CASE ( 99 )\n txt_microphys = 'NCEP 5-Class'\n CASE ( 106 )\n txt_microphys = 'WSM 6-Class R'\n CASE DEFAULT\n txt_microphys = '*** Unknown ***'\n END SELECT\n\n!-------------------------------------------------------------------------------\n! Determine longwave radiation scheme.\n!-------------------------------------------------------------------------------\n\n SELECT CASE ( met_lw_rad )\n CASE ( 0 )\n txt_lwrad = 'None'\n CASE ( 1 )\n txt_lwrad = 'RRTM'\n CASE ( 3 )\n txt_lwrad = 'CAM'\n CASE ( 4 )\n txt_lwrad = 'RRTMG'\n CASE ( 5 )\n txt_lwrad = 'New Goddard'\n CASE ( 7 )\n txt_lwrad = 'Fu-Liou-Gu UCLA'\n CASE ( 14 )\n txt_lwrad = 'RRTMG-K'\n CASE ( 24 )\n txt_lwrad = 'Fast RRTMg'\n CASE ( 31 )\n txt_lwrad = 'Earth Held-Suarez'\n CASE ( 99 )\n txt_lwrad = 'GFDL (Eta)'\n CASE DEFAULT\n txt_lwrad = '*** Unknown ***'\n END SELECT\n\n!-------------------------------------------------------------------------------\n! Determine shortwave radiation scheme.\n!-------------------------------------------------------------------------------\n\n SELECT CASE ( met_sw_rad )\n CASE ( 0 )\n txt_swrad = 'None'\n CASE ( 1 )\n txt_swrad = 'Dudhia'\n CASE ( 2 )\n txt_swrad = 'Goddard'\n CASE ( 3 )\n txt_swrad = 'CAM'\n CASE ( 4 )\n txt_swrad = 'RRTMG'\n CASE ( 5 )\n txt_swrad = 'New Goddard'\n CASE ( 7 )\n txt_swrad = 'Fu-Liou-Gu UCLA'\n CASE ( 14 )\n txt_swrad = 'RRTMG-K'\n CASE ( 24 )\n txt_swrad = 'Fast RRTMg'\n CASE ( 31 )\n txt_swrad = 'Earth Held-Suarez'\n CASE ( 99 )\n txt_swrad = 'GFDL (Eta)'\n CASE DEFAULT\n txt_swrad = '*** Unknown ***'\n END SELECT\n\n!-------------------------------------------------------------------------------\n! Determine planetary boundary layer scheme.\n!-------------------------------------------------------------------------------\n\n SELECT CASE ( met_pbl )\n CASE ( 0 )\n txt_pbl = 'None'\n CASE ( 1 )\n txt_pbl = 'YSU'\n CASE ( 2 )\n txt_pbl = 'Mellor-Yamada-Janjic (Eta) TKE'\n CASE ( 4 )\n txt_pbl = 'QNSE-EDMF'\n CASE ( 5 )\n txt_pbl = 'MYNN 2.5 level TKE'\n CASE ( 6 )\n txt_pbl = 'MYNN 3.0 level TKE'\n CASE ( 7 )\n txt_pbl = 'ACM2 (Pleim)'\n CASE ( 8 )\n txt_pbl = 'Bougeault and Lacarrere'\n CASE ( 9 )\n txt_pbl = 'UW Bretherton and Park (CESM)'\n CASE ( 10 )\n txt_pbl = 'Total Energy-Mass Flux (TEMF)'\n CASE ( 11 )\n txt_pbl = 'Shin-Hong scale-aware scheme'\n CASE ( 12 )\n txt_pbl = 'Grenier-Bretherton-McCaa'\n CASE ( 16 )\n txt_pbl = 'EEPS'\n CASE ( 17 )\n txt_pbl = 'KEPS'\n CASE ( 94 )\n txt_pbl = 'Quasi-Normal Scale Elim'\n CASE ( 99 )\n txt_pbl = 'MRF'\n CASE DEFAULT\n txt_pbl = '*** Unknown ***'\n END SELECT\n\n!-------------------------------------------------------------------------------\n! Determine surface-layer scheme.\n!-------------------------------------------------------------------------------\n\n SELECT CASE ( met_sfc_lay )\n CASE ( 0 )\n txt_sflay = 'None'\n CASE ( 1 )\n IF ( met_release(1:4) >= \"V3.6\" ) THEN\n txt_sflay = 'Revised MM5 (Jimenez)'\n ELSE\n txt_sflay = 'Monin-Obukhov'\n ENDIF\n CASE ( 2 )\n txt_sflay = 'Monin-Obukhov (Janjic Eta)'\n CASE ( 4 )\n txt_sflay = 'QNSE'\n CASE ( 5 )\n txt_sflay = 'MYNN'\n CASE ( 7 )\n txt_sflay = 'Pleim'\n CASE ( 10 )\n txt_sflay = 'Total Energy-Mass Flux (TEMF)'\n CASE ( 11 )\n txt_sflay = 'Revised MM5 (Jimenez)'\n CASE ( 91 )\n txt_sflay = 'MM5 Similarity'\n CASE DEFAULT\n txt_sflay = '*** Unknown ***'\n END SELECT\n\n!-------------------------------------------------------------------------------\n! Determine surface scheme.\n!-------------------------------------------------------------------------------\n\n SELECT CASE ( met_soil_lsm )\n CASE ( 0 )\n txt_lsm = 'No Sfc Temperature Prediction'\n CASE ( 1 )\n txt_lsm = 'Thermal Diffusion'\n CASE ( 2 )\n IF ( ifmosaic ) THEN\n txt_lsm = 'NOAH Mosaic Land-Surface Model'\n ELSE\n txt_lsm = 'NOAH Land-Surface Model'\n ENDIF\n CASE ( 3 )\n txt_lsm = 'RUC Land-Surface Model'\n CASE ( 4 )\n txt_lsm = 'NOAH-MP'\n CASE ( 5 )\n txt_lsm = 'CLM4'\n CASE ( 7 )\n txt_lsm = 'Pleim-Xiu Land-Surface Model'\n CASE ( 8 )\n txt_lsm = 'Simplified SiB'\n CASE DEFAULT\n txt_lsm = '*** Unknown ***'\n END SELECT\n\n!-------------------------------------------------------------------------------\n! Determine urban model.\n!-------------------------------------------------------------------------------\n\n SELECT CASE ( met_urban_phys )\n CASE ( 0 )\n txt_urban = 'No urban physics'\n CASE ( 1 )\n txt_urban = 'Single-Layer UCM (Kusaka)'\n CASE ( 2 )\n txt_urban = 'Multi-Layer BEP (Martilli)'\n CASE ( 3 )\n txt_urban = 'Multi-Layer Bldg Energy Model'\n CASE DEFAULT\n txt_urban = '*** Unknown ***'\n END SELECT\n\n!-------------------------------------------------------------------------------\n! Determine shallow convection option.\n!-------------------------------------------------------------------------------\n\n SELECT CASE ( met_shal_cu )\n CASE ( -1 )\n txt_shcu = 'Grell 3D -- unknown'\n CASE ( 0 )\n txt_shcu = 'No shallow convection'\n CASE ( 1 )\n txt_shcu = 'Grell 3D shallow'\n CASE ( 2 )\n txt_shcu = 'UW Bretherton and Park (CESM)'\n CASE ( 3 )\n txt_shcu = 'GRIMS (YSU)'\n CASE ( 4 )\n txt_shcu = 'NSAS Shallow Scheme'\n CASE ( 5 )\n txt_shcu = 'Deng Shallow Scheme'\n CASE DEFAULT\n txt_shcu = '*** Unknown ***'\n END SELECT\n\n!-------------------------------------------------------------------------------\n! Determine land use categorization.\n!-------------------------------------------------------------------------------\n\n txt_lu(1:LEN_TRIM(met_lu_src)) = met_lu_src(1:LEN_TRIM(met_lu_src))\n\n DO n = 1, LEN_TRIM(txt_lu)\n IF ( txt_lu(n:n) == null0 ) THEN\n txt_lu(n:n) = blank0\n ENDIF\n ENDDO\n\nEND SUBROUTINE wrfemopts\n" }, { "path": "PREP/mcip/src/wrgdesc.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nSUBROUTINE wrgdesc\n\n!-------------------------------------------------------------------------------\n! Name: Write Grid Description\n! Purpose: Writes grid description (GRIDDESC) file.\n! Revised: 03 Oct 2001 Original version. (T. Otte)\n! 07 Jan 2002 Added OPEN and CLOSE statements for output file.\n! (S. Howard and T. Otte)\n! 30 Jan 2002 Changed the creation of the GRIDDESC file from\n! a list-directed write to a formatted write to\n! improve portability. (T. Otte)\n! 01 Jul 2004 Corrected minor formatting bugs. (T. Otte)\n! 29 Aug 2011 Changed name of module FILE to FILES to avoid conflict\n! with F90 protected intrinsic. Changed name of internal\n! variable BLANK to BLNK to avoid conflict with F90\n! protected intrinsic. (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n! 30 Jun 2021 Changed format for GRIDDESC to accommodate modeling\n! domains with more than 999 grid cells on a side.\n! (T. Spero)\n!-------------------------------------------------------------------------------\n\n USE coord\n USE files\n USE mcipparm\n\n IMPLICIT NONE\n\n CHARACTER(LEN=1), PARAMETER :: blnk = ' '\n CHARACTER(LEN=1), PARAMETER :: quote = CHAR(39)\n\n!-------------------------------------------------------------------------------\n! Error, warning, and informational messages.\n!-------------------------------------------------------------------------------\n\n CHARACTER(LEN=256), PARAMETER :: f100 = \"(a)\"\n CHARACTER(LEN=256), PARAMETER :: f200 = \"(i3, 5(1x, f13.3))\"\n CHARACTER(LEN=256), PARAMETER :: f300 = \"( a, 4(1x, f13.3), 3(1x, i4))\"\n\n!-------------------------------------------------------------------------------\n! Write grid description in two sets. Reader uses two list-directed READ\n! statements to capture information.\n!-------------------------------------------------------------------------------\n\n OPEN (iutgd, FILE=file_gd)\n\n WRITE (iutgd,f100) quote // blnk // quote\n\n WRITE (iutgd,f100) quote // TRIM(coordnam_gd) // quote\n WRITE (iutgd,f200) gdtyp_gd, p_alp_gd, p_bet_gd, p_gam_gd, xcent_gd, ycent_gd\n WRITE (iutgd,f100) quote // blnk // quote\n\n WRITE (iutgd,f100) quote // TRIM(gdname_gd) // quote\n WRITE (iutgd,f300) quote // TRIM(coordnam_gd) // quote, xorig_gd, yorig_gd, &\n xcell_gd, ycell_gd, ncols, nrows, nthik\n WRITE (iutgd,f100) quote // blnk // quote\n\n CLOSE (iutgd)\n\nEND SUBROUTINE wrgdesc\n" }, { "path": "PREP/mcip/src/xvars_mod.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nMODULE xvars\n\n!-------------------------------------------------------------------------------\n! Name: X-Variables\n! Purpose: Contains X-variables (CTM arrays plus boundary in horizontal).\n! Revised: 25 Jan 1997 Original version. (D. Byun)\n! 20 May 1997 For Models-3 Beta Version. (???)\n! 05 Nov 1997 Added nonhydrostatic/hydrostatic output fnc. (???)\n! 05 Jan 1998 Added mass consistency error, XMCONERR. (???)\n! 30 Apr 1999 Replaced PSTAR with PRSFC. (???)\n! 19 Sep 2001 Converted to free-form f90 and changed name from\n! MCIPCOM.EXT to module_xvars.f90. Added XQICE\n! and XQSNOW. Removed user-definable control parameters\n! LWINDMOD, LNOMAPS, LNOTOPO, LM3DDEP, LSANITY, and\n! LMASSOP. Changed arrays to allocatable. Removed\n! COMMON blocks. Moved METCOL, METROW, and METLAY to\n! MCIPPARM. Removed MET1, MET2, LUSE, and KFFILE since\n! they are not used. Changed input date variables.\n! Moved user input variables to MCIPPARM. Changed\n! routine to XVARS. Added PX variables. Removed unused\n! arrays for LAMDA and MCONERR. (T. Otte)\n! 14 Jan 2002 Added new dry deposition species, methanol.\n! (Y. Wu and T. Otte)\n! 27 Feb 2002 Renamed XSURF1 as XTEMP1P5 and XSURF2 as XWIND10.\n! (T. Otte)\n! 18 Mar 2003 Removed XJDRATE. (T. Otte)\n! 09 Jun 2003 Added XF2DEF, XSNOCOV, XDELTA, XLSTWET, and XRH.\n! Added new dry deposition species: N2O5, NO3, and\n! generic aldehyde. Removed dry deposition species,\n! ATRA and ATRAP, from output. (T. Otte, J. Pleim,\n! and D. Schwede)\n! 10 Aug 2004 Added XQGRAUP, XWSPD10, XWDIR10, and XT2. Removed\n! XFLAGS, XINDEX, XNAMES, the pointers to XNAMES, and\n! XLUSNAME. (T. Otte and D. Schwede)\n! 29 Nov 2004 Added XPURB. (T. Otte)\n! 04 Apr 2005 Removed unused variables XREGIME, XRTOLD, XPRSOLD,\n! XENTRP, and XDENSAM_REF. Moved XDFLUX and XPSRATE\n! as local variables in VERTHYD. Added XMU and XGEOF\n! for WRF. Changed XUU and XVV to XUU_D and XVV_D, and\n! changed XUHAT and XVHAT to XUU_S and XVV_T. Added\n! pointers for optional chlorine and mercury species.\n! Added XU10 and XV10. (T. Otte, S.-B. Kim, G. Sarwar,\n! and R. Bullock)\n! 19 Aug 2005 Removed XDEPIDX and pointers to XDEPIDX. Moved\n! XDEPSPC and XVD to DEPVVARS_MOD. Removed unused\n! variables XCAPG, XMMPASS, XFSOIL, and X_RESOL. Removed\n! XRH and made it a local scalar in M3DRY. (T. Otte and\n! W. Hutzell)\n! 14 Jul 2006 Removed XDELTA and XLSTWET to be local variables in\n! M3DRY. Added XLWMASK. (T. Otte)\n! 30 Jul 2007 Added IMPLICIT NONE. Changed XUSTAR and XRADYN to 2D\n! arrays without a dimension for fractional land use\n! that was required for RADMdry. Removed XRBNDY.\n! Added comments for variables. Removed low, middle,\n! and high cloud arrays, and 1.5-m and 10-m temperature\n! arrays. Changed 2-m temperature from XT2 to XTEMP2.\n! Removed internal variables for emissivity and net\n! radiation. Added scalar XLUSRC. Removed XF2DEF and\n! XRSTMIN to be local variables in RESISTCALC. Added\n! XPSTAR0. (T. Otte)\n! 21 Apr 2008 Added 2-m mixing ratio (XQ2) and turbulent kinetic\n! energy (XTKE) arrays. (T. Otte)\n! 17 Aug 2009 Added land-use category description, XLUDESC. Added\n! 3D potential vorticity (XPVC), Coriolis (XCORL), and\n! potential temperature (XTHETA). Added map-scale\n! factor squared (on cross points, XMAPC2). Added\n! XLATU, XLONU, XMAPU, XLATV, XLONV, and XMAPV. (T. Otte)\n! 14 Dec 2010 Added sea ice. (T. Otte)\n! 31 Aug 2011 Changed F77 character declarations to F90 standard.\n! (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n! 10 Apr 2015 Added new array XCFRAC3D to pass 3D resolved cloud\n! fraction to output. (T. Spero)\n! 21 Aug 2015 Changed latent heat flux from QFX to LH. Added\n! moisture flux (QFX) for IFMOLACM. (T. Spero)\n! 16 Mar 2018 Added SNOWH to output. Added XMUHYB to support hybrid\n! vertical coordinate in WRF output. Added XLUFRAC2,\n! XMOSCATIDX, XLAI_MOS, XRA_MOS, XRS_MOS, XTSK_MOS, and\n! XZNT_MOS to support NOAH Mosaic land-surface model.\n! Added XZSOIL to define depths of soil layers, and\n! added 3D soil arrays, XSOIT3D and XSOIM3D. Added\n! XWSPDSFC and XXLAIDYN for Noah. (T. Spero)\n! 14 Sep 2018 Removed support for MM5v3 input. (T. Spero)\n! 18 Jun 2019 Added new surface variables with PX LSM that can\n! improve dust simulation in CCTM. Added optional\n! variables from KF convective scheme with radiative\n! feedbacks. (T. Spero)\n!-------------------------------------------------------------------------------\n\n IMPLICIT NONE\n\n!-------------------------------------------------------------------------------\n! Scalars and One-Dimensional Arrays.\n!-------------------------------------------------------------------------------\n\n REAL :: x3top ! top of X-array data\n CHARACTER(LEN=10) :: xlusrc ! source of land use classification\n\n REAL, ALLOCATABLE :: xx3face ( : ) ! layer face of X-array data\n REAL, ALLOCATABLE :: xx3midl ( : ) ! layer middle of X-array data\n REAL, ALLOCATABLE :: xdx3 ( : ) ! layer thickness (positive always)\n\n REAL, ALLOCATABLE :: xzsoil ( : ) ! soil layer depths\n\n CHARACTER(LEN=80), ALLOCATABLE :: xludesc ( : ) ! land-use category\n\n!-------------------------------------------------------------------------------\n! Dot-Point and Face 2D Arrays.\n!-------------------------------------------------------------------------------\n\n REAL, ALLOCATABLE :: xlatd ( : , : ) ! latitude at dot pts [degrees]\n REAL, ALLOCATABLE :: xlatu ( : , : ) ! latitude at U faces [degrees]\n REAL, ALLOCATABLE :: xlatv ( : , : ) ! latitude at V faces [degrees]\n REAL, ALLOCATABLE :: xlond ( : , : ) ! longitude at dot pts [degrees]\n REAL, ALLOCATABLE :: xlonu ( : , : ) ! longitude at U faces [degrees]\n REAL, ALLOCATABLE :: xlonv ( : , : ) ! longitude at V faces [degrees]\n REAL, ALLOCATABLE :: xmapd ( : , : ) ! map scale at dot pts [dim'less]\n REAL, ALLOCATABLE :: xmapu ( : , : ) ! map scale at U faces [dim'less]\n REAL, ALLOCATABLE :: xmapv ( : , : ) ! map scale at V faces [dim'less]\n\n!-------------------------------------------------------------------------------\n! Cross-Point 2D Arrays.\n!-------------------------------------------------------------------------------\n\n REAL, ALLOCATABLE :: xcorl ( : , : ) ! Coriolis at cross pts [s-1]\n REAL, ALLOCATABLE :: xlatc ( : , : ) ! latitude at cross pts [degree]\n REAL, ALLOCATABLE :: xlonc ( : , : ) ! longitude at cross pts [degree]\n REAL, ALLOCATABLE :: xmapc ( : , : ) ! map scale at cross pts [dim'less]\n REAL, ALLOCATABLE :: xmapc2 ( : , : ) ! XMAPC**2 at cross pts [dim'less]\n REAL, ALLOCATABLE :: xtopo ( : , : ) ! topographic height (MSL) [m]\n\n REAL, ALLOCATABLE :: xprsfc ( : , : ) ! sfc pressure at cross [Pa]\n REAL, ALLOCATABLE :: xdenss ( : , : ) ! surface air density [kg/m3]\n REAL, ALLOCATABLE :: xtempg ( : , : ) ! ground surface temperature [K]\n REAL, ALLOCATABLE :: xrainn ( : , : ) ! nonconvective rain (cumulative)\n REAL, ALLOCATABLE :: xrainc ( : , : ) ! convective rain (cumulative)\n REAL, ALLOCATABLE :: xdluse ( : , : ) ! dominant land use category\n REAL, ALLOCATABLE :: xlwmask ( : , : ) ! land-water mask (1=land, 0=water)\n REAL, ALLOCATABLE :: xpurb ( : , : ) ! percentage of urban area [%]\n\n REAL, ALLOCATABLE :: xglw ( : , : ) ! l/w rad at grnd [W/m2]\n REAL, ALLOCATABLE :: xgsw ( : , : ) ! s/w rad absorbed at grnd [W/m2]\n REAL, ALLOCATABLE :: xhfx ( : , : ) ! sensible heat flux [W/m2]\n REAL, ALLOCATABLE :: xlh ( : , : ) ! latent heat flux [W/m2]\n REAL, ALLOCATABLE :: xustar ( : , : ) ! friction velocity [m]\n REAL, ALLOCATABLE :: xpbl ( : , : ) ! PBL height [m]\n REAL, ALLOCATABLE :: xzruf ( : , : ) ! surface roughness [m]\n REAL, ALLOCATABLE :: xmol ( : , : ) ! Monin-Obukhov length [m] \n REAL, ALLOCATABLE :: xrgrnd ( : , : ) ! s/w rad reaching grnd [W/m2]\n REAL, ALLOCATABLE :: xqfx ( : , : ) ! up moist flux at sfc [kg m-2 s-1]\n\n REAL, ALLOCATABLE :: xwstar ( : , : ) ! convective velocity scale [m/s]\n REAL, ALLOCATABLE :: xrib ( : , : ) ! bulk Richardson number\n REAL, ALLOCATABLE :: xradyn ( : , : ) ! aerodynamic resistance [s/m]\n REAL, ALLOCATABLE :: xrstom ( : , : ) ! stomatal resistance [s/m]\n REAL, ALLOCATABLE :: xtemp2 ( : , : ) ! 2-m temperature [K]\n REAL, ALLOCATABLE :: xq2 ( : , : ) ! 2-m mixing ratio [kg/kg]\n REAL, ALLOCATABLE :: xwspd10 ( : , : ) ! 10-m wind speed at crs [m/s]\n REAL, ALLOCATABLE :: xwdir10 ( : , : ) ! 10-m wind direction at crs [deg]\n REAL, ALLOCATABLE :: xalbedo ( : , : ) ! albedo [dim'less]\n REAL, ALLOCATABLE :: xmavail ( : , : ) ! moisture availability\n REAL, ALLOCATABLE :: xcfract ( : , : ) ! cloud fraction [fraction]\n REAL, ALLOCATABLE :: xcldtop ( : , : ) ! cloud top height [m]\n REAL, ALLOCATABLE :: xcldbot ( : , : ) ! cloud bottom height [m]\n REAL, ALLOCATABLE :: xwbar ( : , : ) ! avg liq water in cld [g/m3]\n REAL, ALLOCATABLE :: xsnocov ( : , : ) ! snow cover [1=yes, 0=no]\n REAL, ALLOCATABLE :: xseaice ( : , : ) ! sea ice [1=yes, 0=no; or frac]\n REAL, ALLOCATABLE :: xsnowh ( : , : ) ! snow height [m]\n REAL, ALLOCATABLE :: xmuhyb ( : , : ) ! dry mu in hybrid coordinate\n\n REAL, ALLOCATABLE :: xu10 ( : , : ) ! 10-m u-comp wind at crs [m/s]\n REAL, ALLOCATABLE :: xv10 ( : , : ) ! 10-m v-comp wind at crs [m/s]\n\n REAL, ALLOCATABLE :: xtga ( : , : ) ! ground temperature [K]\n REAL, ALLOCATABLE :: xt2a ( : , : ) ! deep layer soil temperature [K]\n REAL, ALLOCATABLE :: xwga ( : , : ) ! ground sfc soil moisture [m3/m3]\n REAL, ALLOCATABLE :: xw2a ( : , : ) ! deep layer soil moisture [m3/m3]\n REAL, ALLOCATABLE :: xwr ( : , : ) ! precip intercepted by canopy [m]\n REAL, ALLOCATABLE :: xlai ( : , : ) ! leaf area index [m2/m2]\n REAL, ALLOCATABLE :: xveg ( : , : ) ! vegetation coverage [decimal]\n REAL, ALLOCATABLE :: xsltyp ( : , : ) ! soil texture type [category]\n\n REAL, ALLOCATABLE :: xwsat_px ( : , : ) ! soil saturation (PX) [m3/m3]\n REAL, ALLOCATABLE :: xwwlt_px ( : , : ) ! soil wilt pt (PX) [m3/m3]\n REAL, ALLOCATABLE :: xwfc_px ( : , : ) ! soil fld capacity (PX) [m3/m3]\n REAL, ALLOCATABLE :: xcsand_px ( : , : ) ! coarse sand (PX) [fraction]\n REAL, ALLOCATABLE :: xfmsand_px ( : , : ) ! fine-medium sand (PX) [fraction]\n REAL, ALLOCATABLE :: xclay_px ( : , : ) ! clay (PX) [fraction]\n\n REAL, ALLOCATABLE :: xluse ( : , : , : ) ! landuse fractions [0-1]\n\n!-------------------------------------------------------------------------------\n! Cross-Point 3D arrays.\n!-------------------------------------------------------------------------------\n\n REAL, ALLOCATABLE :: xtempm ( : , : , : ) ! temp. at layer middle [K]\n REAL, ALLOCATABLE :: xpresm ( : , : , : ) ! pressure at layer middle [Pa]\n REAL, ALLOCATABLE :: xdensam ( : , : , : ) ! air density at middle [kg/m^3]\n REAL, ALLOCATABLE :: xdenswm ( : , : , : ) ! vapor density at middle [kg/m^3]\n REAL, ALLOCATABLE :: x3jacobf( : , : , : ) ! Jacobian at layer face [m]\n REAL, ALLOCATABLE :: x3jacobm( : , : , : ) ! Jacobian at layer middle [m]\n REAL, ALLOCATABLE :: x3htf ( : , : , : ) ! AGL height at layer face [m]\n REAL, ALLOCATABLE :: x3htm ( : , : , : ) ! AGL height at layer middle [m]\n REAL, ALLOCATABLE :: xwhat ( : , : , : ) ! contra-w wind at face [m/s]\n REAL, ALLOCATABLE :: xwvapor ( : , : , : ) ! water vapor mixing ratio [kg/kg]\n REAL, ALLOCATABLE :: xwwind ( : , : , : ) ! vertical wind at face [m/s]\n REAL, ALLOCATABLE :: xcldwtr ( : , : , : ) ! cloud water mixing ratio [kg/kg]\n REAL, ALLOCATABLE :: xranwtr ( : , : , : ) ! rain water mixing ratio [kg/kg]\n REAL, ALLOCATABLE :: xqice ( : , : , : ) ! ice mixing ratio [kg/kg]\n REAL, ALLOCATABLE :: xqsnow ( : , : , : ) ! snow mixing ratio [kg/kg]\n REAL, ALLOCATABLE :: xqgraup ( : , : , : ) ! graupel mixing ratio [kg/kg]\n REAL, ALLOCATABLE :: xtke ( : , : , : ) ! turbulent kinetic energy [J/kg]\n REAL, ALLOCATABLE :: xpvc ( : , : , : ) ! potential vorticity [m^2-K/kg-s]\n REAL, ALLOCATABLE :: xtheta ( : , : , : ) ! potential temperature [K]\n REAL, ALLOCATABLE :: xcfrac3d( : , : , : ) ! resolved cloud fraction [frac]\n REAL, ALLOCATABLE :: xqc_cu ( : , : , : ) ! cld wtr mx rat from cu [kg/kg]\n REAL, ALLOCATABLE :: xqi_cu ( : , : , : ) ! cld ice mx rat from cu [kg/kg]\n REAL, ALLOCATABLE :: xcldfrad( : , : , : ) ! subgrid deep cld fraction [frac]\n REAL, ALLOCATABLE :: xcldfras( : , : , : ) ! subgrid shal cld fraction [frac]\n\n!-------------------------------------------------------------------------------\n! Dot-Point (and Face-Point) 3D Arrays.\n!-------------------------------------------------------------------------------\n\n REAL, ALLOCATABLE :: xuu_d ( : , : , : ) ! u comp. wind on dot pts [m/s]\n REAL, ALLOCATABLE :: xvv_d ( : , : , : ) ! v comp. wind on dot pts [m/s]\n REAL, ALLOCATABLE :: xuu_s ( : , : , : ) ! u comp. wind on flux pts [m/s]\n REAL, ALLOCATABLE :: xvv_t ( : , : , : ) ! v comp. wind on flux pts [m/s]\n\n!-------------------------------------------------------------------------------\n! Cross-Point Soil arrays.\n!-------------------------------------------------------------------------------\n\n REAL, ALLOCATABLE :: xsoit3d ( : , : , : ) ! soil temperature [K]\n REAL, ALLOCATABLE :: xsoim3d ( : , : , : ) ! soil moisture [m^3/m^3]\n\n!-------------------------------------------------------------------------------\n! Cross-Point Mosaic arrays.\n!-------------------------------------------------------------------------------\n\n REAL, ALLOCATABLE :: xlufrac2 ( : , : , : ) ! LU fraction (rank ordered)\n REAL, ALLOCATABLE :: xmoscatidx ( : , : , : ) ! LU category with XLUFRAC2\n REAL, ALLOCATABLE :: xlai_mos ( : , : , : ) ! LAI mosaic [area/area]\n REAL, ALLOCATABLE :: xra_mos ( : , : , : ) ! aero resist mosaic [s/m]\n REAL, ALLOCATABLE :: xrs_mos ( : , : , : ) ! stomatal resist mosaic [s/m]\n REAL, ALLOCATABLE :: xtsk_mos ( : , : , : ) ! skin temperature mosaic [K]\n REAL, ALLOCATABLE :: xznt_mos ( : , : , : ) ! roughness length mosaic [m]\n\n REAL, ALLOCATABLE :: xwspdsfc ( : , : ) ! wind spd within Noah [m/s]\n REAL, ALLOCATABLE :: xxlaidyn ( : , : ) ! Noah dynamic LAI [area/area]\n\n!-------------------------------------------------------------------------------\n! Arrays for WRF only.\n!-------------------------------------------------------------------------------\n\n REAL, ALLOCATABLE :: xmu ( : , : ) ! Mu at cross points\n REAL, ALLOCATABLE :: xgeof ( : , : , : ) ! geopotential at face points\n\n!-------------------------------------------------------------------------------\n! Internal Arrays.\n!-------------------------------------------------------------------------------\n\n REAL, ALLOCATABLE :: xdx3htf ( : , : , : ) ! layer thickness [m]\n REAL, ALLOCATABLE :: xdensaf ( : , : , : ) ! total air density at interface\n REAL, ALLOCATABLE :: xpresf ( : , : , : ) ! total air pressure at face\n\nEND MODULE xvars\n" }, { "path": "PREP/mcip/src/xy2ll_lam.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nSUBROUTINE xy2ll_lam (xx, yy, phi1, phi2, lambda0, phi0, phi, lambda)\n\n!-------------------------------------------------------------------------------\n! Name: (X,Y) to Latitude-Longitude for Lambert Conformal Projection\n! Purpose: Calcluates latitude-longitude for a given (X,Y) pair from origin\n! and Lambert conformal projection information.\n! Notes: Equations adapted from http://mathworld.wolfram.com.\n! Revised: 12 Dec 2007 Original version. (T. Otte)\n! 18 Sep 2009 Added reference latitude (PHI0) as an argument.\n! Converted to double-precision. Corrected comments\n! associated with RHO0. Corrected calculation of PSI\n! (with no impact on results). (T. Otte)\n! 02 Oct 2009 Changed algorithm to follow Wolfram to eliminate the\n! divide-by-zero condition for computing latitude along\n! the standard longitude. (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n!-------------------------------------------------------------------------------\n\n USE const, ONLY: rearth\n\n IMPLICIT NONE\n\n REAL(8) :: deg2rad ! convert degrees to radians\n REAL(8) :: drearth ! earth radius [m]\n REAL, INTENT(OUT) :: lambda ! longitude [deg]\n REAL(8) :: lambdarad ! longitude [rad]\n REAL, INTENT(IN) :: lambda0 ! standard longitude [deg]\n REAL(8) :: lambda0rad ! standard longitude [rad]\n REAL, INTENT(OUT) :: phi ! latitude [deg]\n REAL(8) :: phirad ! latitude [rad]\n REAL, INTENT(IN) :: phi0 ! reference latitude [deg]\n REAL(8) :: phi0rad ! reference latitude [rad]\n REAL, INTENT(IN) :: phi1 ! true latitude 1 [deg]\n REAL(8) :: phi1rad ! true latitude 1 [rad]\n REAL, INTENT(IN) :: phi2 ! true latitude 2 [deg]\n REAL(8) :: phi2rad ! true latitude 2 [rad]\n REAL(8) :: pi\n REAL(8) :: piover2 ! pi/2\n REAL(8) :: piover4 ! pi/4\n REAL(8) :: psi ! auxiliary function\n REAL(8) :: rad2deg\n REAL(8) :: rho\n REAL(8) :: rho0 ! polar radius to origin\n REAL(8) :: term0\n REAL(8) :: term1\n REAL(8) :: term2\n REAL(8) :: theta ! polar angle\n REAL(8) :: sinphi0 ! cone constant\n REAL(8) :: sinphi0inv ! 1/sinphi0\n REAL, INTENT(IN) :: xx ! X-coordinate from origin\n REAL, INTENT(IN) :: yy ! Y-coordinate from origin\n\n!-------------------------------------------------------------------------------\n! Compute constants.\n!-------------------------------------------------------------------------------\n\n piover4 = DATAN(1.0d0)\n pi = 4.0d0 * piover4\n piover2 = 2.0d0 * piover4\n deg2rad = pi / 1.8d2\n rad2deg = 1.8d2 / pi\n\n drearth = DBLE(rearth)\n\n!-------------------------------------------------------------------------------\n! Compute cone constant, SINPHI0.\n!-------------------------------------------------------------------------------\n\n phi0rad = DBLE(phi0) * deg2rad ! convert PHI0 from degrees to radians\n phi1rad = DBLE(phi1) * deg2rad ! convert PHI1 from degrees to radians\n phi2rad = DBLE(phi2) * deg2rad ! convert PHI2 from degrees to radians\n\n term0 = DTAN ( piover4 + phi0rad/2.0d0 )\n term1 = DTAN ( piover4 + phi1rad/2.0d0 )\n term2 = DTAN ( piover4 + phi2rad/2.0d0 )\n\n sinphi0 = DLOG ( DCOS(phi1rad) / DCOS(phi2rad) )\n sinphi0 = sinphi0 / DLOG (term2 / term1)\n\n sinphi0inv = 1.0d0 / sinphi0\n\n!-------------------------------------------------------------------------------\n! Compute polar radius to origin, RHO0, where origin is at PHI0.\n!-------------------------------------------------------------------------------\n\n psi = drearth * DCOS(phi1rad) * sinphi0inv * (term1**sinphi0)\n rho0 = psi / (term0**sinphi0)\n\n!-------------------------------------------------------------------------------\n! Compute longitude, LAMBDA.\n!-------------------------------------------------------------------------------\n\n lambda0rad = lambda0 * deg2rad\n\n theta = DATAN( DBLE(xx) / (rho0 - DBLE(yy)) )\n lambdarad = lambda0rad + theta * sinphi0inv\n lambda = REAL(lambdarad * rad2deg)\n\n!-------------------------------------------------------------------------------\n! Compute latitude, PHI.\n!-------------------------------------------------------------------------------\n\n rho = DSQRT( DBLE(xx)*DBLE(xx) + (rho0-DBLE(yy))*(rho0-DBLE(yy)) )\n rho = DSIGN(1.0d0, sinphi0) * rho\n\n phirad = (psi / rho)**sinphi0inv\n phirad = 2.0d0 * DATAN(phirad) - piover2\n phi = REAL(phirad * rad2deg)\n\nEND SUBROUTINE xy2ll_lam\n" }, { "path": "PREP/mcip/src/xy2ll_merc.f90", "content": "!------------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------------!\n\nSUBROUTINE xy2ll_merc (xx, yy, lambda0, phi, lambda)\n\n!-------------------------------------------------------------------------------\n! Name: (X,Y) to Latitude-Longitude for Polar Stereographic Projection\n! Purpose: Calcluates latitude-longitude for a given (X,Y) pair from origin\n! and polar stereographic projection information.\n! Notes: Equations taken from \"Map Projections: Theory and Applications\"\n! by Frederick Pearson, II (1990), pp. 190-192.\n! Revised: 18 Sep 2009 Original version. (T. Otte)\n! 07 Sep 2011 Updated disclaimer. (T. Otte)\n!-------------------------------------------------------------------------------\n\n USE const, ONLY: rearth\n\n IMPLICIT NONE\n\n REAL(8) :: deg2rad ! convert degrees to radians\n REAL(8) :: drearth ! earth radius [m]\n REAL, INTENT(OUT) :: lambda ! longitude [deg]\n REAL(8) :: lambdarad ! longitude [rad]\n REAL, INTENT(IN) :: lambda0 ! center longitude [deg]\n REAL(8) :: lambda0rad ! center longitude [rad]\n REAL, INTENT(OUT) :: phi ! latitude [deg]\n REAL(8) :: phirad ! latitude [rad]\n REAL(8) :: pi\n REAL(8) :: piover2 ! pi/2\n REAL(8) :: piover4 ! pi/4\n REAL(8) :: rad2deg\n REAL, INTENT(IN) :: xx ! X-coordinate from origin\n REAL(8) :: xxd\n REAL, INTENT(IN) :: yy ! Y-coordinate from origin\n REAL(8) :: yyd\n\n!-------------------------------------------------------------------------------\n! Compute constants.\n!-------------------------------------------------------------------------------\n\n piover4 = DATAN(1.0d0)\n piover2 = 2.0d0 * piover4\n pi = 4.0d0 * piover4\n deg2rad = pi / 1.8d2\n rad2deg = 1.8d2 / pi\n\n drearth = DBLE(rearth)\n\n!-------------------------------------------------------------------------------\n! Set up geometric constants.\n!-------------------------------------------------------------------------------\n\n xxd = DBLE(xx)\n yyd = DBLE(yy)\n\n!-------------------------------------------------------------------------------\n! Compute latitude (PHI).\n!-------------------------------------------------------------------------------\n\n phirad = ( 2.0d0 * DATAN ( DEXP(yyd/drearth) ) ) - piover2\n phi = REAL( phirad * rad2deg )\n\n!-------------------------------------------------------------------------------\n! Compute longitude (LAMBDA).\n!-------------------------------------------------------------------------------\n\n lambda0rad = DBLE(lambda0) * deg2rad\n lambdarad = lambda0rad + xxd/drearth\n lambda = REAL( lambdarad * rad2deg )\n\nEND SUBROUTINE xy2ll_merc\n" }, { "path": "PYTOOLS/README.md", "content": "Python Tools for CMAQ\n=====================\n\nThis folder holds python tools for CMAQ. These tools may fill roles that are\nusually stored in PREP or POST folders. They are stored here to centralize the\ninstallation requirements.\n\nThese Python Tools require Python v3.6 or higher. Some are written as Jupyter\nNotebooks, while others as scripts. All will require some libraries.\n\nThe best way to check your installation is to run:\n\n`python install/show_versions.py install/requirements.txt`\n\nFor information about how to install, see the install folder.\n\nTool Listing\n============\n\n* [install](install/README.md) Describes preparing an environment for CMAQ/PYTOOLS.\n* [dmschlo](dmschlo/README.md) Prepares DMS and Chlorophyll-A concentrations for CMAQ.\n* [shp2cmaq](../PYTOOLS/shp2cmaq/README.md) Creates a CMAQ-ready grid mask from a shape file that can be used for defining regions and region families with DESID and using geographic source regions when running CMAQ-ISAM. \n" }, { "path": "PYTOOLS/dmschlo/.gitignore", "content": "output\ncdogrids\nchlor_a\ndmsclimatology\nminiconda\n" }, { "path": "PYTOOLS/dmschlo/CMAQ_DMS_ChlorA.ipynb", "content": "{\n \"cells\": [\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {\n \"id\": \"Ol-xbgTvlzz2\"\n },\n \"source\": [\n \"# DMS and Chlorophyll-A for CMAQ\\n\",\n \"\\n\",\n \"---\\n\",\n \" author: Barron H. Henderson\\n\",\n \" contributors: Brett Gantt, Jeff Willison, Golam Sarwar, and Sara Farrell\\n\",\n \" date: 2021-03-23\\n\",\n \" last updated: 2024-06-12\\n\",\n \"---\\n\",\n \"\\n\",\n \"This notebook creates CMAQ-Ready input files necessary for CMAQ halogen and DMS. DMS chemistry requires DMS concentrations and halogen chemistry relies on chlorophyll concentrations. The Chlorophyll is extracted from NASA MODIS-Aqua level-3 data prodcuts. The DMS is created from monthly climatologies from the Surface Ocean and Lower Atmosphere (SOLAS) project.\\n\",\n \"\\n\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {},\n \"source\": [\n \"# Specify User Input Options\\n\",\n \"\\n\",\n \"* User input options are described below.\\n\",\n \"* Most users will update `dom`, `ocnintmpl`, `ocnouttmpl`, and `gdpath`\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": null,\n \"metadata\": {},\n \"outputs\": [],\n \"source\": [\n \"# dom : str\\n\",\n \"# Name of output domain. For example, 12US1, 36US3, 108NHEMI2. This is used\\n\",\n \"# to name outputs and inputs.\\n\",\n \"dom = '12US1'\\n\",\n \"\\n\",\n \"# ocnintmpl : str\\n\",\n \"# Path to OCEAN file with OPEN (0-1) and SURF (0-1) variables. The path can\\n\",\n \"# use strftime templates to construct date specific paths. The strftime\\n\",\n \"# function described at https://strftime.net/. For 2016-01-01, here are a\\n\",\n \"# few examples: %F = 2016-01-01, %Y%j = 2016001, %m%d = 0101, %b = Jan,\\n\",\n \"# %^b = JAN. e.g., OCEAN_%Y%b.nc = OCEAN_2016Jan.nc\\n\",\n \"ocnintmpl = f'/work/MOD3DATA/2016_{dom}/surface/{dom}_surf.ncf'\\n\",\n \"\\n\",\n \"# ocnouttmpl : str\\n\",\n \"# strftime template to create a new file. The new file will have ocnintmpl\\n\",\n \"# variables in addition to DMS and CHLO.\\n\",\n \"ocnouttmpl = f'output/{dom}/OCEAN_%m_L3m_MC_CHL_chlor_a_{dom}.nc'\\n\",\n \"\\n\",\n \"# gdpath : str\\n\",\n \"# Path to an IOAPI file using the domain (dom). Most of the time you can use\\n\",\n \"# your ocean file. If your ocnintmpl is time varying (i.e., uses strftime),\\n\",\n \"# then you will need to update this to hard code a specific path. e.g.,\\n\",\n \"# gdpath = ocnintmpl.replace('%b', 'Jan')\\n\",\n \"gdpath = ocnintmpl\\n\",\n \"\\n\",\n \"# overwrite : bool\\n\",\n \"# Default False, keep existing intermediate files. This is faster by a lot\\n\",\n \"# when redoing a domain, but uses cached results. If True, recreate all.\\n\",\n \"overwrite = False\\n\",\n \"\\n\",\n \"# getlatestchlo : bool\\n\",\n \"# Default True, discover latest climatology urls from NASA server If False,\\n\",\n \"# use a prexisting list of known urls. Known urls can be any url that NetCDF\\n\",\n \"# can read (e.g, OpenDAP or local paths). They can also be month specific\\n\",\n \"# instead of climatology\\n\",\n \"getlatestchlo = False\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {\n \"id\": \"xGn3VnPDLF4j\"\n },\n \"source\": [\n \"# Install Prerequisites\\n\",\n \"\\n\",\n \"* On Google Colab or other web-based platforms, you may need to install some non-standard libraries\\n\",\n \"* To do this, the notebook will use a combination of `apt-get` or `miniconda`, and `pip`\\n\",\n \"* Both can be run from within this notebook by specifying options below.\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": null,\n \"metadata\": {\n \"id\": \"kEMW45MRTS2b\"\n },\n \"outputs\": [],\n \"source\": [\n \"installprereq = True\\n\",\n \"installcdo = False\\n\",\n \"# Use a preinstalled version of cdo in the user path\\n\",\n \"cdopath = 'cdo'\\n\",\n \"# Or specify a specific path. For example, at EPA use :\\n\",\n \"# cdopath = '/work/ROMO/anaconda_envs/cdo-1.9.8/bin/cdo'\\n\",\n \"# If you intall cdo with miniconda\\n\",\n \"# cdopath = './miniconda/bin/cdo'\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {\n \"id\": \"Oqy0eNJVN_Bi\"\n },\n \"source\": [\n \"## Install Climate Data Operators\\n\",\n \"\\n\",\n \"* If you do not have climate data operators, this can install them for you.\\n\",\n \" * There are two options, the first is `apt-get install cdo` which works on many Debian based linux systems.\\n\",\n \" * The second is more robust and installs from Anaconda.\\n\",\n \" * You can also install them yourself.\\n\",\n \"* This may take a couple minutes\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": null,\n \"metadata\": {\n \"id\": \"_Rj0_8nn93gD\"\n },\n \"outputs\": [],\n \"source\": [\n \"import os\\n\",\n \"if installcdo:\\n\",\n \" cdopath = './miniconda/bin/cdo'\\n\",\n \" if not os.path.exists(cdopath):\\n\",\n \" !wget -N -q https://repo.anaconda.com/miniconda/Miniconda3-latest-Linux-x86_64.sh\\n\",\n \" !bash ./Miniconda3-latest-Linux-x86_64.sh -b -p ./miniconda &> log.miniconda\\n\",\n \" !./miniconda/bin/conda install -c conda-forge -q -y 'cdo~=1.9' &> log.cdo\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {\n \"id\": \"dVl1jAM8-71q\"\n },\n \"source\": [\n \"## pip\\n\",\n \"\\n\",\n \"* Install required prerequsites\\n\",\n \"* This will be faster than installing cdo.\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": null,\n \"metadata\": {\n \"colab\": {\n \"base_uri\": \"https://localhost:8080/\"\n },\n \"id\": \"-vhPJkCM97se\",\n \"outputId\": \"9733bd90-1a69-4001-f6c4-3a9e70559790\"\n },\n \"outputs\": [],\n \"source\": [\n \"if installprereq:\\n\",\n \" # If on Google Colab:\\n\",\n \" # 1. Copy the requirements file to this folder,\\n\",\n \" # 2. remove --user\\n\",\n \" !python -m pip install -q --user -r requirements.txt\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {\n \"id\": \"aY78jFw5LN_k\"\n },\n \"source\": [\n \"## Now restart the Runtime\\n\",\n \"\\n\",\n \"* Optional.\\n\",\n \"* Click on the Runtime menu.\\n\",\n \"* Click `Restart Runtime`\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {\n \"id\": \"Bb0x3o4COLsN\"\n },\n \"source\": [\n \"# Quick Run\\n\",\n \"\\n\",\n \"* From here, you can click Runtime, Run after\\n\",\n \"* This will run everything and then give you a dialog to download the results.\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {\n \"id\": \"LtBUDryDLU5P\"\n },\n \"source\": [\n \"# Import libraries\\n\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": null,\n \"metadata\": {\n \"id\": \"1Za8quom-Jw5\"\n },\n \"outputs\": [],\n \"source\": [\n \"%matplotlib inline\\n\",\n \"importsuccess = False\\n\",\n \"from urllib.request import urlretrieve\\n\",\n \"import os\\n\",\n \"from datetime import datetime\\n\",\n \"from glob import glob\\n\",\n \"import zipfile\\n\",\n \"import warnings\\n\",\n \"\\n\",\n \"import numpy as np\\n\",\n \"import matplotlib.pyplot as plt\\n\",\n \"import pandas as pd\\n\",\n \"\\n\",\n \"import cdo\\n\",\n \"import pycno\\n\",\n \"import PseudoNetCDF as pnc\\n\",\n \"\\n\",\n \"os.environ['IOAPI_ISPH'] = '6370000.'\\n\",\n \"warnings.simplefilter('ignore')\\n\",\n \"importsuccess = True\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {\n \"id\": \"FoVLIdQSBJSp\"\n },\n \"source\": [\n \"## Prepare Climate Data Operators\\n\",\n \"\\n\",\n \"* Used for spatial interpolation\\n\",\n \"* Instantiate an operator object (`cdoo`) that will be used in the rest of the project.\\n\",\n \"* Set `debug=True` for detailed feedback\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": null,\n \"metadata\": {\n \"id\": \"48wbKUlv_p-Q\"\n },\n \"outputs\": [],\n \"source\": [\n \"%pdb off\\n\",\n \"cdoo = cdo.Cdo(cdopath)\\n\",\n \"cdoo.setCdo(cdopath)\\n\",\n \"print('CDI version', cdoo.version())\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {\n \"id\": \"jm97a_WSBTyK\"\n },\n \"source\": [\n \"# Define the CMAQ Grid\\n\",\n \"\\n\",\n \"Script will create folders for dom, open file and create a CDO grid mapping definition.\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": null,\n \"metadata\": {\n \"id\": \"PNJHfh9F_lqN\"\n },\n \"outputs\": [],\n \"source\": [\n \"os.makedirs('cdogrids', exist_ok=True)\\n\",\n \"os.makedirs(f'output/{dom}', exist_ok=True)\\n\",\n \"os.makedirs(f'chlor_a/{dom}', exist_ok=True)\\n\",\n \"os.makedirs(f'dmsclimatology/{dom}', exist_ok=True)\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": null,\n \"metadata\": {\n \"id\": \"MNbuxMR53G41\"\n },\n \"outputs\": [],\n \"source\": [\n \"gdf = pnc.pncopen(gdpath, format='ioapi')\\n\",\n \"proj = gdf.getproj()\\n\",\n \"gproj = gdf.getproj(withgrid=True)\\n\",\n \"crs = proj.crs.to_cf()\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": null,\n \"metadata\": {\n \"id\": \"weQTj7odsz43\"\n },\n \"outputs\": [],\n \"source\": [\n \"cdogrid = f'cdogrids/{dom}.cdo'\\n\",\n \"with open(cdogrid, 'w') as cdogf:\\n\",\n \" cdogf.write(f\\\"\\\"\\\"\\n\",\n \"gridtype = projection\\n\",\n \"gridsize = {gdf.NROWS * gdf.NCOLS}\\n\",\n \"xname = COL\\n\",\n \"yname = ROW\\n\",\n \"xsize = {gdf.NCOLS}\\n\",\n \"ysize = {gdf.NROWS}\\n\",\n \"xinc = {gdf.XCELL}\\n\",\n \"xfirst = {gdf.XCELL / 2:.0f}\\n\",\n \"yinc = {gdf.YCELL}\\n\",\n \"yfirst = {gdf.YCELL / 2:.0f}\\n\",\n \"grid_mapping_name = {crs['grid_mapping_name']}\\n\",\n \"longitude_of_projection_origin = {gdf.XCENT}\\n\",\n \"latitude_of_projection_origin = {gdf.YCENT}\\n\",\n \"\\\"\\\"\\\")\\n\",\n \" for k, v in crs.items():\\n\",\n \" cdogf.write(f\\\"{k} = {v}\\\\n\\\".replace('(', '').replace(')', ''))\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {\n \"id\": \"4gE-JC-YLgGO\"\n },\n \"source\": [\n \"# DMS Processing\\n\",\n \"\\n\",\n \"* Surface Ocean Lower Atmospheric Study (SOLAS)\\n\",\n \"* Created a climatology of DMS (under short-lived species)\\n\",\n \"* https://www.bodc.ac.uk/solas_integration/\\n\",\n \"\\n\",\n \"\\n\",\n \"* Steps:\\n\",\n \" 1. Download the data\\n\",\n \" 2. Extract the CSV files\\n\",\n \" 3. Create a netCDF file with known longitude and latitude.\\n\",\n \" 4. Visualize\\n\",\n \" 5. Regrid DMS\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {\n \"id\": \"f1SH2iGIAs7p\"\n },\n \"source\": [\n \"## Download DMS Climatology\\n\",\n \"\\n\",\n \"* Downloads file to dmsclimatology folder.\\n\",\n \"* If you prefer, download it there yourself manually.\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": null,\n \"metadata\": {\n \"id\": \"Dsxsj5-zliXT\"\n },\n \"outputs\": [],\n \"source\": [\n \"dmsurl = 'https://www.bodc.ac.uk/solas_integration/implementation_products/group1/dms/documents/dmsclimatology.zip'\\n\",\n \"dmsdest = 'dmsclimatology/dmsclimatology.zip'\\n\",\n \"if not os.path.exists(dmsdest):\\n\",\n \" urlretrieve(dmsurl, dmsdest, reporthook=lambda c, s, t: print(f'\\\\r {min(1, c*s/t):5.1%}', end='', flush=True))\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {\n \"id\": \"SQKxTJwyLtZW\"\n },\n \"source\": [\n \"## Extract CSV\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": null,\n \"metadata\": {\n \"id\": \"1KUkmDBclsOt\"\n },\n \"outputs\": [],\n \"source\": [\n \"zf = zipfile.ZipFile(dmsdest)\\n\",\n \"zf.extractall(path='dmsclimatology')\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {\n \"id\": \"BhLvFO2ALwGf\"\n },\n \"source\": [\n \"## Create a NetCDF\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": null,\n \"metadata\": {\n \"id\": \"rbf5_7XOlwi9\"\n },\n \"outputs\": [],\n \"source\": [\n \"dmsncpath = 'dmsclimatology/dmsconcentration.nc'\\n\",\n \"if overwrite or not os.path.exists(dmsncpath):\\n\",\n \" if os.path.exists(dmsncpath):\\n\",\n \" os.remove(dmsncpath)\\n\",\n \"\\n\",\n \" dmsfile = pnc.PseudoNetCDFFile()\\n\",\n \" dmsfile.createDimension('time', 12)\\n\",\n \" dmsfile.createDimension('latitude', 180)\\n\",\n \" dmsfile.createDimension('longitude', 360)\\n\",\n \"\\n\",\n \" timev = dmsfile.createVariable('time', 'd', ('time',))\\n\",\n \" refdate = datetime(2000, 1, 1)\\n\",\n \" middate = datetime(2000, 1, 15)\\n\",\n \" timev[:] = [(middate.replace(month=i) - refdate).total_seconds() / 3600 / 24 for i in range(1, 13)]\\n\",\n \" timev.units = 'days since 2000-01-01'\\n\",\n \" timev.long_name = 'time'\\n\",\n \"\\n\",\n \" lonv = dmsfile.createVariable('longitude', 'd', ('longitude',))\\n\",\n \" lonv[:] = np.linspace(-179.5, 179.5, 360)\\n\",\n \" lonv.units = 'degrees_east'\\n\",\n \" lonv.long_name = 'longitude'\\n\",\n \"\\n\",\n \" latv = dmsfile.createVariable('latitude', 'd', ('latitude',))\\n\",\n \" latv[:] = np.linspace(-89.5, 89.5, 180)\\n\",\n \" latv.units = 'degrees_north'\\n\",\n \" latv.long_name = 'latitude'\\n\",\n \"\\n\",\n \" dmsfile.setCoords(['time', 'longitude', 'latitude'])\\n\",\n \"\\n\",\n \" dmsv = dmsfile.createVariable('DMS', 'f', ('time', 'latitude', 'longitude'), fill_value=-999)\\n\",\n \" dmsv.units = 'nM'.ljust(16)\\n\",\n \" dmsv.long_name = 'DMS'.ljust(16)\\n\",\n \" dmsv.description = \\\"Hansell et al. seawater DMS climatology\\\".ljust(80)\\n\",\n \"\\n\",\n \" for ti, monthname in enumerate(['JAN', 'FEB', 'MAR', 'APR', 'MAY', 'JUN', 'JUL', 'AUG', 'SEP', 'OCT', 'NOV', 'DEC']):\\n\",\n \" dmsdata = pd.read_csv(f'dmsclimatology/DMSclim_{monthname}.csv', names=np.linspace(-179.5, 179.5, 360), na_values=['NaN'])\\n\",\n \" dmsdata.set_index(np.linspace(-89.5, 89.5, 180)[::-1], inplace=True)\\n\",\n \" dmsv[ti] = dmsdata.values[::-1, ]\\n\",\n \" dmsv[np.isnan(dmsv[:])] = np.ma.masked\\n\",\n \"\\n\",\n \" dmsfile.save(dmsncpath, format='NETCDF4_CLASSIC', verbose=0).close()\\n\",\n \"else:\\n\",\n \" print('Keeping file', dmsncpath)\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {\n \"id\": \"TRywvdIwHkA3\"\n },\n \"source\": [\n \"## Now regrid DMS to model domain\\n\",\n \"\\n\",\n \"* `overwrite` is set to False, so if you re-run, it will keep old outputs. \\n\",\n \"* `usesetmisstonn` is set to true, this interpolates valid values where data is missing.\\n\",\n \" * This is super helpful for missing data.\\n\",\n \" * This creates DMS overland.\\n\",\n \" * If `usesetmisstonn`, you'll want to mask out overland.\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": null,\n \"metadata\": {\n \"id\": \"t0AxBqGyuPBk\"\n },\n \"outputs\": [],\n \"source\": [\n \"# Choose one or neither\\n\",\n \"usesetmisstonn = False\\n\",\n \"usefillmiss = False\\n\",\n \"\\n\",\n \"dmsoutpath = f'dmsclimatology/{dom}/dmsconcentration.{dom}.nc'\\n\",\n \"if overwrite or not os.path.exists(dmsoutpath):\\n\",\n \" if os.path.exists(dmsoutpath):\\n\",\n \" os.remove(dmsoutpath)\\n\",\n \" if usesetmisstonn:\\n\",\n \" cdoo.setmisstoc(f'0 -remapycon,{cdogrid} -setctomiss,-999. -setmisstonn', input=dmsncpath, output=dmsoutpath, returnCdf=False)\\n\",\n \" elif usefillmiss:\\n\",\n \" cdoo.setmisstoc(f'0 -remapycon,{cdogrid} -setctomiss,-999. -fillmiss', input=dmsncpath, output=dmsoutpath, returnCdf=False)\\n\",\n \" else:\\n\",\n \" cdoo.setmisstoc(f'0 -remapycon,{cdogrid} -setctomiss,-999.', input=dmsncpath, output=dmsoutpath, returnCdf=False)\\n\",\n \"else:\\n\",\n \" print('Keeping file', dmsoutpath)\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {\n \"id\": \"2B_P_LYUL-yQ\"\n },\n \"source\": [\n \"# Process Monthly Chlorophyll-A\\n\",\n \"\\n\",\n \"* This tutorial uses climatalogical Chlorophyll\\n\",\n \"* At the download step, you can switch to year-specific by following special instructions\\n\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {\n \"id\": \"Cp1t3kMlURg4\"\n },\n \"source\": [\n \"## Download Monthly Chlorophyll-A\\n\",\n \"\\n\",\n \"* This tutorial uses climatalogical Chlorophyll\\n\",\n \"* If this is okay for your project, just run the next cell without any edits.\\n\",\n \"* You can update it to use year-specific values\\n\",\n \" * Go to https://oceancolor.gsfc.nasa.gov/l3/\\n\",\n \" * Choose Standard Product, MODIS-Aqua, Chlorophyll Concentration, Monthly, 9km\\n\",\n \" * Click Extract or Download\\n\",\n \" * Choose \\\"Mapped\\\" and Click \\\"Download\\\"\\n\",\n \" * Copy the urls from the webpage list and paste over the results below.\\n\",\n \" * Replace the cgi url with the opendap url\\n\",\n \" * replace \\\"https://oceandata.sci.gsfc.nasa.gov/cgi/getfile/\\\"\\n\",\n \" * with \\\"https://oceandata.sci.gsfc.nasa.gov:443/opendap/MODISA/L3SMI/%Y/%m%d/\\n\",\n \" * where %Y, %m, and %d are the year, month and day in the file names. (e.g., 20020701)\\n\",\n \" * AQUA_MODIS.%Y%m%d_%Y%m%d.L3m.MO.CHL.chlor_a.9km.nc\\n\",\n \" * For example, the original URL https://oceandata.sci.gsfc.nasa.gov/cgi/getfile/AQUA_MODIS.20020701_20020731.L3m.MO.CHL.chlor_a.9km.nc becomes https://oceandata.sci.gsfc.nasa.gov:443/opendap/MODISA/L3SMI/2002/0701/AQUA_MODIS.20020701_20020731.L3m.MO.CHL.chlor_a.9km.nc\\n\",\n \"\\n\",\n \"* You can also use files that you have already downloaded, by setting urls to point to those files.\\n\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": null,\n \"metadata\": {},\n \"outputs\": [],\n \"source\": [\n \"if getlatestchlo:\\n\",\n \" from urllib.request import urlopen\\n\",\n \" import re\\n\",\n \"\\n\",\n \" urls = []\\n\",\n \" webroot = 'https://oceandata.sci.gsfc.nasa.gov:443/opendap/MODISA/L3SMI/'\\n\",\n \" for prefix in ['2002/0701', '2002/0801', '2002/0901', '2002/1001', '2002/1101', '2002/1201', '2003/0101', '2003/0201', '2003/0301', '2003/0401', '2003/0501', '2003/0601']:\\n\",\n \" htmlout = urlopen(webroot + prefix)\\n\",\n \" htmltxt = htmlout.read().decode()\\n\",\n \" mostrecent = sorted(re.compile('(?<=>).+L3m_MC_CHL_chlor_a_9km.nc(?== 58.0\nimportlib_metadata >= 4.6\nnumpy >= 1.19.5\npandas >= 1.1.5\nnetCDF4 >= 1.5.8\nmatplotlib >= 3.3.4\npycno >= 0.2.0\npyproj >= 2.6.1\npseudonetcdf >= 3.2.0\ncdo == 1.5.3\n" }, { "path": "PYTOOLS/install/README.md", "content": "# Installation\n\nThe CMAQ Python Tools require Python version 3.6 (or greater) and additional\nlibraries for processing data efficiently. Instructions on installation are\nprovided below, but any standard installation processes are acceptable\nalternatives.\n\nThe best way to test your installation is to run `python show_versions.py`\n\n## Installing Python >=3.6\n\nInstalling Python >=3.6 can be done by using the installer for your\nsystem from python.org, or you can use a package like Anaconda.\n\n## Virtual Environment (optional)\n\nIf you don't want changes to affect your user or system environment, create\na virtual environment to isolate the CMAQ python tools installation.\n\n```\n# Create a new virtual environment\npython -m venv ./cmaqpy\n# Do this anytime to activate the new environment\nsource ./cmaqpy/bin/activate\n# Do this anytime to deactivate the new environment\ndeactivate\n```\n\nIf you're making a virtual environment and your python is from Anaconda,\nthe ensurepip module will be missing and the `python -m venv ./cmaqpy`\ncommand will fail. Usually, Anaconda does not use venv but instead uses\nconda env. If you do want to use venv with Anaconda, modify the above \nas follows:\n\n```\n# Create a new virtual environment\npython -m venv ./cmaqpy\n# Do this anytime to activate the new environment\nsource ./cmaqpy/bin/activate\n# Install pip\ncurl https://bootstrap.pypa.io/get-pip.py -o get-pip.py\npython get-pip.py\n# Do this anytime to deactivate the new environment\ndeactivate\n```\n\nIf your python version is not \"current\", then get-pip.py will tell you which\nfile to download instead.\n\n\n## Installing Libraries\n\nEach tool will have some basic library requirements and many will share the \nsame requirements. As a result, each tools should have it's own \n`./requirements.txt` and this folder contains a general `requirements.txt` that\nwill meet the needs of many tools.\n\nTo install the requirements of a particular tool, you can use pip or conda.\n\n\n### pip\n\n`pip install --user --prefer-binary -r requirements.txt`\n\nTo confirm that you have the libraries installed correctly, run\n\n`python show_versions.py requirements.txt`\n\n\n### Anaconda\n\nStart by installing Anaconda or Miniconda. To install custom libraries, run\nthe command below. If you started with Miniconda, it will take longer to run.\n\n`conda env create -n cmaqpy -f environment.yml`\n\nTo activate the environment, run\n\n`conda activate cmaqpy`\n\n" }, { "path": "PYTOOLS/install/environment.yml", "content": "# run: conda env create --file environment.yml\nname: cmaqpy\nchannels:\n - conda-forge\n - defaults\ndependencies:\n - python >=3.6\n - anaconda\n - pip\n - jupyterlab\n - setuptools\n - importlib_metadata>=4.6\n - numpy>=1.19.5\n - pandas >= 1.1.5\n - netCDF4>=1.5.4\n - matplotlib>=3.3\n - pyproj>=2.6\n - cdo==1.9\n - pip:\n - pycno>=0.2.0\n - pseudonetcdf>=3.2.2\n - cdo==1.5.3\n" }, { "path": "PYTOOLS/install/requirements.txt", "content": "setuptools >= 58.0\nimportlib_metadata >= 4.6\nnumpy >= 1.19.5\npandas >= 1.1.5\nxarray >= 0.16.2\nscipy >= 1.5.4\nnetCDF4 >= 1.5.8\nmatplotlib >= 3.3.4\nbasemap >= 1.3.0\npycno >= 0.2.0\npyproj >= 2.6.1\npseudonetcdf >= 3.2.0\ncdo == 1.5.3\n" }, { "path": "PYTOOLS/install/show_versions.py", "content": "import sys\nimport argparse\ntry:\n # Python 3.8 or above\n from importlib.metadata import version\nexcept ImportError:\n # Python 3.6\n from importlib_metadata import version\n\n\nparser = argparse.ArgumentParser()\nparser.add_argument('requirements', nargs='*', help='requirements.txt file path(s)', default=['requirements.txt'])\nargs = parser.parse_args()\n\nvinfo = sys.version_info\n\ndef show(libname, vtxt, modifier):\n print(f'{libname:20s} {vtxt:12s} {modifier:12s}')\n\nshow('Package', 'Version', 'Required')\nshow('-'*20, '-'*12, '-'*12)\nshow('Python', f'{vinfo.major}.{vinfo.minor}.{vinfo.micro}', '>= 3.6')\n\nfor reqpath in args.requirements:\n with open(reqpath, 'r') as rf:\n reqtxt = rf.read().strip()\n for reqline in reqtxt.split('\\n'):\n if ' ' not in reqline:\n libname = reqline\n modifier = ''\n else:\n si = reqline.find(' ')\n libname = reqline[:si]\n modifier = reqline[si:].strip()\n\n try:\n vtxt = version(libname)\n except Exception:\n vtxt = 'not found'\n show(libname, vtxt, modifier)\n" }, { "path": "PYTOOLS/shp2cmaq/README.md", "content": "Create CMAQ-Ready File from Shapefile\n=====================================\n\n---\n author: Barron H. Henderson\n date: 2020-04-25\n updated: 2024-04-24\n---\n\nThis Notebook uses geopandas and cmaqsatproc to create IOAPI-like files for\nCMAQ. The overall process requires a shapefile with attributes and a GRIDDESC\nfile. It produces variables that specify grid cell fractional coverage by each\nunique value of a specified attribute. It also produces total and dominant\nattribute variables. The total specifies the fraction coverage of any\nattribute. The dominant variable specifies which attribute has the largest\narea coverage.\n\nTwo special notes:\n\n1. It is possible to output an overlap weighted variable. For example, the\n population weighted by the fraction of a polygon's area in a grid cell.\n2. In python, you can pass in a geopandas.GeoDataFrame instead of the path\n to a shapefile. This is useful when you want to add custom attributes\n before processing.\n\n\nExamples\n--------\n\n### Census State Boundaries for 12US1 Domain\n\nThe US Census state boundary shapefile has Polygons for each state with the\nSTUSPS attribute. With attrkey set to STUSPS, the notebook will create a\nvariable for each unique value of STUSPS (e.g, AL, AK, AR, ... WV, WY) with\nthe fractional area covered by that state. It will also create a\nvariable STUSPS_DOM that uses numeric codes (in alphabetic order) to\nidentify which STUSPS has the largest coverage of that cell. And, it will\ninclude a variable STUSPS_TOT with the total coverage of any STUSPS.\n\n1. Download\n * https://www2.census.gov/geo/tiger/GENZ2022/shp/cb_2022_us_state_500k.zip\n * If url doesn't work, download from census.gov\n2. Run tool:\n\nFrom SHELL:\n```bash\npython shp2cmaq.py cb_2022_us_state_500k.zip STUSPS 12US1\n```\n\nIn python:\n```python\nfrom shp2cmaq import shp2cmaq\nshp2cmaq('cb_2022_us_state_500k.zip', 'STUSPS', '12US1')\n```\n\n### Natural Earth Countries for Hemispheric Domain\n\nThe Natural Earth countries shapefile (administrative-level 0) has Polygons\nwith the country identifier attribute ADM0_A3. The notebook will create a\nvariable for each unique value of ADM0_A3 (e.g, USA, MEX, CAN). It will also\ncreate a variable (ADM0_A3_DOM) that uses numeric codes (in alphabetic order)\nto identify which ADM0_A3 has the largest coverage of that cell. And, it will\ninclude a variable ADM0_A3_TOT with the total coverage of any ADM0_A3.\n\n1. Download\n * https://naciscdn.org/naturalearth/10m/cultural/ne_10m_admin_0_countries.zip\n * If url doesn't work, download from naturalearth.org\n2. Run tool:\n\nFrom SHELL:\n```bash\npython shp2cmaq.py ne_10m_admin_0_countries.zip ADM0_A3 108NHEMI2\n```\n\nIn python:\n```python\nfrom shp2cmaq import shp2cmaq\nshp2cmaq('ne_110m_admin_0_countries.zip', 'ADM0_A3', '108NHEMI2')\n```\n\n### Natural Earth State/Province Level for 36US3\n\nThe Natural Earth countries shapefile (administrative-level 1) has Polygons\nwith the state/provice identifier attribute iso_3166_2. The notebook will\ncreate a variable for each unique value of iso_3166_2. It will also\ncreate a variable (iso_3166_2) that uses numeric codes (in alphabetic order)\nto identify which iso_3166_2_DOM has the largest coverage of that cell. And,\nit will include a variable iso_3166_2_TOT with the total coverage of any\niso_3166_2.\n\n1. Download\n * https://naciscdn.org/naturalearth/10m/cultural/ne_10m_admin_1_states_provinces.zip\n * If url doesn't work, download from naturalearth.org\n2. Run tool:\n\nFrom SHELL:\n```bash\npython shp2cmaq.py ne_10m_admin_1_states_provinces.zip iso_3166_2 36US3\n```\n\nIn python:\n```python\nfrom shp2cmaq import shp2cmaq\nshp2cmaq('ne_10m_admin_1_states_provinces.zip', 'iso_3166_2', '36US3')\n```\n\n\n### Overlap Weighted Variable\n\nshp2cmaq can also output a weighted area. For example, if you have population\nby state, each cell will be assigned a fraction of each state's population.\nThe fraction will be equal to the fraction of the state's area that is in that\ngrid cell. Obviously, populations are not uniformaly distributed across states\nby area. The finer the geography used, the better assumption that is.\n\nSteps:\n\n1. Go to censusreporter.org.\n2. Create a map of total population (B01003001) by state.\n3. Download the map as a zipped shapefile.\n4. Unzip the shapefile.\n5. Run the tool:\n\nFrom SHELL:\n```bash\npython shp2cmaq.py --srckey=B01003001 acs2022_5yr_B01003_04000US21/acs2022_5yr_B01003_04000US21.shp geoid 36US3\n```\n\nIn python:\n```python\nfrom shp2cmaq import shp2cmaq\nshppath = 'acs2022_5yr_B01003_04000US21/acs2022_5yr_B01003_04000US21.shp'\nshp2cmaq(shppath, 'geoid', '36US3', srckey='B01003001')\n```\n\n### Custom GeoDataFrame\n\nThis example of a custom dataframe builds on the \"Census State Boundaries for\n12US1 Domain\" example. It starts by opening the shapefile, but then adds a\ncustom attribute. In this example, the custom attribute is the climate region.\nClimate region is derived from the postal abbreviation. The area overlap of\neach region should be the same as adding the variables from states in the\nexample from which this is derived (e.g., CLIMREG_W = STUSPS_CA + STUSPS_NV).\n\nThis is a trivial example, but illustrates a general capability.\n\n1. Download\n * https://www2.census.gov/geo/tiger/GENZ2022/shp/cb_2022_us_state_500k.zip\n * If url doesn't work, download from census.gov\n2. Run tool:\n\n```python\nfrom shp2cmaq import shp2cmaq\nimport geopandas as gpd\n\n\nregions = {\n 'NW': ['OR', 'WA', 'ID'],\n 'W': ['CA', 'NV'],\n 'NRP': ['MT', 'WY', 'ND', 'SD', 'NE'],\n 'SW': ['UT', 'AZ', 'CO', 'NM'],\n 'S': ['KS', 'OK', 'TX', 'AR', 'LA', 'MS'],\n 'UMW': ['MN', 'IA', 'WI', 'MI'],\n 'OV': ['MO', 'IL', 'IN', 'OH', 'KY', 'TN', 'WV'],\n 'SE': ['VA', 'NC', 'SC', 'GA', 'AL', 'FL'],\n 'NE': ['PA', 'NY', 'VT', 'NH', 'ME', 'MA', 'RI', 'CT', 'NJ', 'DE', 'MD', 'DC'],\n 'OTHER': ['AK', 'AS', 'HI', 'PR', 'VI', 'GU', 'MP']\n}\nst2reg = {}\nfor reg, sts in regions.items():\n for st in sts:\n st2reg[st] = reg\n\n\nshpf = gpd.read_file('cb_2022_us_state_500k.zip')\nshpf['CLIMREG'] = shpf['STUSPS'].apply(lambda x: st2reg.get(x, \"UNKNOWN\"))\nshp2cmaq(shpf, 'CLIMREG', '12US1', outpath='CLIMREG.12US1.nc')\n```" }, { "path": "PYTOOLS/shp2cmaq/requirements.txt", "content": "cmaqsatproc\ngeopandas\nxarray\nnetcdf4\npycno" }, { "path": "PYTOOLS/shp2cmaq/shapefile2cmaq.ipynb", "content": "{\n \"cells\": [\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {},\n \"source\": [\n \"# Create CMAQ-Ready Files from a Shapefiles\\n\",\n \"\\n\",\n \"This Notebook uses geopandas and cmaqsatproc to create IOAPI-like files for CMAQ. Geopandas supports optimized searches and projection conversions. This section focuses on creating I/O API NetCDF masks from **categorical** variables (e.g., **states**, **countries**) or from **quantitative** variables (i.e. **population**, **income**).\\n\",\n \"* Categorical variables have grid cell values set to the fraction of the grid cell covered by a feature (e.g., state).\\n\",\n \"* Quantitative variables have grid cell values set to the fraction of the feature (e.g., county) in the grid cell multiplied by the quantitative variable (e.g., population.)\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {},\n \"source\": [\n \"## Install Libraries\\n\",\n \"\\n\",\n \"- You can try uncommenting and then running this cell for these libraries to populate in your current kernel\\n\",\n \"- If this doesn't work, you can try two different optons:\\n\",\n \" - try replacing !python -m pip` with `%pip`\\n\",\n \" - Or run pip install outside of the notebook for the python environment you will be using.\\n\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": null,\n \"metadata\": {\n \"id\": \"CWZSGMYnYHiD\"\n },\n \"outputs\": [],\n \"source\": [\n \"#!python -m pip install -qq cmaqsatproc geopandas xarray netcdf4 pycno\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {},\n \"source\": [\n \"## Import Libs Required\\n\",\n \"- If this gives you a warning, your installation was likely unsuccessful\\n\",\n \"- Or you need to restart your notebook to access the newly installed libraries.\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": null,\n \"metadata\": {},\n \"outputs\": [],\n \"source\": [\n \"import matplotlib.pyplot as plt\\n\",\n \"import shp2cmaq\\n\",\n \"import warnings\\n\",\n \"import cmaqsatproc as csp\\n\",\n \"import geopandas as gpd\\n\",\n \"import xarray\\n\",\n \"import netCDF4\\n\",\n \"import pycno\\n\",\n \"# ignore warnings\\n\",\n \"warnings.simplefilter('ignore')\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {\n \"id\": \"0RQ1nVpN1-sL\"\n },\n \"source\": [\n \"## Create a CMAQ-Ready File from a Shapefile with Categorical Data (Part 1)\\n\",\n \"\\n\",\n \"This section uses shapefiles to create a CMAQ-ready file with variables for each feature (e.g., state or country). Each grid cell's value in a variable expresses the fraction of the grid cell area that is within the feature polygon (e.g., state or country).\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {},\n \"source\": [\n \"### Download Shapefiles for Tutorial\\n\",\n \"\\n\",\n \"- You can try uncommenting the following !wget commands to pull in shapefiles\\n\",\n \"- If the wget downloads don't work for you, try downloading the files from their respective websites:\\n\",\n \" - Natural Earth https://www.naturalearthdata.com.\\n\",\n \" - US Census https://census.gov/\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": null,\n \"metadata\": {\n \"id\": \"DoAc3RR5B-vf\"\n },\n \"outputs\": [],\n \"source\": [\n \"# Download an example shapefile if you don't already have one.\\n\",\n \"# default examples\\n\",\n \"#!wget -N https://www2.census.gov/geo/tiger/GENZ2022/shp/cb_2022_us_state_500k.zip # use with attrkey STUSPS\\n\",\n \"# alternate examples\\n\",\n \"#!wget -N https://naciscdn.org/naturalearth/10m/cultural/ne_10m_admin_0_countries.zip # use with attrkey ADM0_A3\\n\",\n \"#!wget -N https://naciscdn.org/naturalearth/10m/cultural/ne_10m_admin_1_states_provinces.zip # us with attrkey iso_3166_2\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {},\n \"source\": [\n \"### Set Configuration\\n\",\n \"- Change the shppath to point to your shapefile\\n\",\n \"- Set your attrkey (options for this should be in your shapefile metadata as a column)\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": null,\n \"metadata\": {\n \"colab\": {\n \"base_uri\": \"https://localhost:8080/\"\n },\n \"id\": \"M8SXK4c22Xwb\",\n \"outputId\": \"b46adad5-19c1-4330-ff65-8cf3a707a626\"\n },\n \"outputs\": [],\n \"source\": [\n \"# shppath : str\\n\",\n \"# Path to a shapefile or zip file containing a shapefile\\n\",\n \"shppath = 'cb_2022_us_state_500k.zip'\\n\",\n \"\\n\",\n \"# attrkey : str\\n\",\n \"# Column to group shapes by e.g., STUSPS of census (AL, NC, etc)\\n\",\n \"attrkey = 'STUSPS'\\n\",\n \"\\n\",\n \"# gdnam : str\\n\",\n \"# Name of grid definition within gdpath (e.g., 12US1, 108NHEMI2)\\n\",\n \"gdnam = '12US1'\\n\",\n \"gdpath = None # None uses built-in; or specify your own GRIDDESC path\\n\",\n \"\\n\",\n \"# For more options, run help(shp2cmaq.shp2cmaq)\\n\",\n \"#?shp2cmaq.shp2cmaq\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {},\n \"source\": [\n \"### Run Tool\\n\",\n \"\\n\",\n \"1. This processor:\\n\",\n \" * Reads in native projection.\\n\",\n \" * Filters for in CMAQ domain.\\n\",\n \" * Optionally, custom extra processing. run help(shp2cmaq.shp2cmaq)\\n\",\n \"2. Calculates area overlap:\\n\",\n \" * Performs grid cell intersections with shapefile polygons.\\n\",\n \" * Aggregates results to grid cell level.\\n\",\n \" * Finds largest area contributor.\\n\",\n \" * Calculates total cell overlap.\\n\",\n \"3. Outputs:\\n\",\n \" * Store results as variables.\\n\",\n \" * Save as IOAPI-like file\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": null,\n \"metadata\": {\n \"colab\": {\n \"base_uri\": \"https://localhost:8080/\"\n },\n \"id\": \"M8SXK4c22Xwb\",\n \"outputId\": \"b46adad5-19c1-4330-ff65-8cf3a707a626\"\n },\n \"outputs\": [],\n \"source\": [\n \"outpath = shp2cmaq.shp2cmaq(shppath, attrkey, gdnam, gdpath=None, verbose=1)\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {},\n \"source\": [\n \"### Plot Result\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": null,\n \"metadata\": {\n \"colab\": {\n \"base_uri\": \"https://localhost:8080/\",\n \"height\": 383\n },\n \"id\": \"i1wHo0m5s6j1\",\n \"outputId\": \"0173e1d0-0939-4d6e-ee96-f861b985bcb3\"\n },\n \"outputs\": [],\n \"source\": [\n \"igf = csp.open_ioapi(outpath)\\n\",\n \"domkey = [k for k in list(igf.data_vars) if k.endswith('DOM')][0]\\n\",\n \"totkey = [k for k in list(igf.data_vars) if k.endswith('TOT')][0]\\n\",\n \"\\n\",\n \"fig, axx = plt.subplots(1, 2, figsize=(12, 4))\\n\",\n \"igf[domkey].where(lambda x: x > -999).plot(ax=axx[0], cmap='nipy_spectral')\\n\",\n \"igf[totkey].plot(ax=axx[1], cmap='YlOrRd')\\n\",\n \"_ = igf.csp.cno.drawcountries(ax=axx)\\n\",\n \"name2idx = eval(igf[domkey].description)\\n\",\n \"print('Dominant Index')\\n\",\n \"print(str({v: k for k, v in name2idx.items()}))\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {},\n \"source\": [\n \"## Create CMAQ-Ready File from a Shapefile with Quantitative Data (Part 2)\\n\",\n \"\\n\",\n \"This section uses shapefiles to create a CMAQ-ready file with variables for each feature (e.g., state or county). Each grid cell in the variable expresses the fraction of a quantitative variable that is within that grid cell. The fraction within the cell is assumed proportional to the fraction of the feature polygon (e.g., state or county) in that grid cell.\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {},\n \"source\": [\n \"### Download Shapefiles for Tutorial\\n\",\n \"\\n\",\n \"- You can try uncommenting the following !wget commands to pull in shapefiles and unzip them.\\n\",\n \"- If the wget downloads don't work for you, try:\\n\",\n \" 1. Go to https://censusreporter.org/,\\n\",\n \" 2. Enter B01003 in the Explor dialog,\\n\",\n \" 3. Enter states in the \\\"Show data by\\\",\\n\",\n \" 4. Re-enter United States in the \\\"In\\\" dialog,\\n\",\n \" 5. Hoover over \\\"Download data\\\",\\n\",\n \" 6. Choose \\\"Shapefile\\\"\\n\",\n \" 7. You must unzip the downloaded zip file.\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": null,\n \"metadata\": {},\n \"outputs\": [],\n \"source\": [\n \"#!wget -N -O acs2022_5yr_B01003_04000US21.zip 'https://api.censusreporter.org/1.0/data/download/acs2022_5yr?table_ids=B01003&geo_ids=040|01000US&format=shp'\\n\",\n \"#!unzip acs2022_5yr_B01003_04000US21.zip\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {},\n \"source\": [\n \"### Set Configuration\\n\",\n \"\\n\",\n \"- Change the shppath to point to your shapefile **(for this you will first need to unzip your zip file and then point to your .shp file)**\\n\",\n \"- Set your attrkey (options for this should be in your shapefile metadata as a column)\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": null,\n \"metadata\": {},\n \"outputs\": [],\n \"source\": [\n \"# shppath : str\\n\",\n \"# Path to a shapefile or zip file containing a shapefile\\n\",\n \"shppath = 'acs2022_5yr_B01003_04000US21/acs2022_5yr_B01003_04000US21.shp'\\n\",\n \"\\n\",\n \"# attrkey : str\\n\",\n \"# Column to group shapes by e.g., STUSPS of census (AL, NC, etc)\\n\",\n \"attrkey = 'geoid'\\n\",\n \"\\n\",\n \"# gdnam : str\\n\",\n \"# Name of grid definition within gdpath (e.g., 12US1, 108NHEMI2)\\n\",\n \"gdnam = '36US3'\\n\",\n \"gdpath = None # None uses built-in; or specify your own GRIDDESC path\\n\",\n \"\\n\",\n \"# srckey : str\\n\",\n \"# Name of quantitative variable (in this demo 'B01003001' is for population)\\n\",\n \"srckey = 'B01003001' \\n\",\n \"\\n\",\n \"# For more options, run help(shp2cmaq.shp2cmaq)\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {},\n \"source\": [\n \"### Run Tool\\n\",\n \"\\n\",\n \"1. This processor:\\n\",\n \" * Reads in native projection.\\n\",\n \" * Filters for in CMAQ domain.\\n\",\n \" * Optionally, custom extra processing. run help(shp2cmaq.shp2cmaq)\\n\",\n \"2. Calculates area overlap:\\n\",\n \" * Performs grid cell intersections with shapefile polygons.\\n\",\n \" * Aggregates results to grid cell level.\\n\",\n \" * Finds largest area contributor.\\n\",\n \" * Calculates total cell overlap.\\n\",\n \"3. Outputs:\\n\",\n \" * Store results as variables.\\n\",\n \" * Save as IOAPI-like file\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": null,\n \"metadata\": {},\n \"outputs\": [],\n \"source\": [\n \"census_outpath = shp2cmaq.shp2cmaq(shppath, attrkey, gdnam, srckey=srckey)\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {},\n \"source\": [\n \"### Plot Result\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": null,\n \"metadata\": {\n \"id\": \"t3SJuEI0mFpV\"\n },\n \"outputs\": [],\n \"source\": [\n \"igf = csp.open_ioapi(census_outpath)\\n\",\n \"domkey = [k for k in list(igf.data_vars) if k.endswith('DOM')][0]\\n\",\n \"totkey = [k for k in list(igf.data_vars) if k.endswith('TOT')][0]\\n\",\n \"\\n\",\n \"fig, axx = plt.subplots(1, 2, figsize=(12, 4))\\n\",\n \"igf[domkey].where(lambda x: x > -999).plot(ax=axx[0], cmap='nipy_spectral')\\n\",\n \"igf[totkey].plot(ax=axx[1], cmap='YlOrRd')\\n\",\n \"_ = igf.csp.cno.drawcountries(ax=axx)\\n\",\n \"name2idx = eval(igf[domkey].description)\\n\",\n \"print('Dominant Index')\\n\",\n \"print(str({v: k for k, v in name2idx.items()}))\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": null,\n \"metadata\": {},\n \"outputs\": [],\n \"source\": []\n }\n ],\n \"metadata\": {\n \"colab\": {\n \"provenance\": []\n },\n \"kernelspec\": {\n \"display_name\": \"Python 3.6\",\n \"language\": \"python\",\n \"name\": \"python3\"\n },\n \"language_info\": {\n \"codemirror_mode\": {\n \"name\": \"ipython\",\n \"version\": 3\n },\n \"file_extension\": \".py\",\n \"mimetype\": \"text/x-python\",\n \"name\": \"python\",\n \"nbconvert_exporter\": \"python\",\n \"pygments_lexer\": \"ipython3\",\n \"version\": \"3.6.8\"\n }\n },\n \"nbformat\": 4,\n \"nbformat_minor\": 4\n}\n" }, { "path": "PYTOOLS/shp2cmaq/shp2cmaq.py", "content": "__doc__ = \"\"\"\nOverview\n========\n\nUtility to create CMAQ-ready files from shapefiles or other vector format.\nAlthough it has only been tested with shapefiles, it should support geojson.\n\nContents\n--------\n\nshp2cmaq : function\n Converts a shapefile to a CMAQ-ready mask file using area overlap\n\nUpdates:\n- v1.0 : Barron H. Henderson converted code to a script.\n\n\nInstallation Instructions\n-------------------------\n\nRequires Python3 and libraries cmaqsatproc, geopandas, xarray, netcdf4.\n\n.. code-block::bash\n\n python -m pip install cmaqsatproc geopandas xarray netcdf4\n\n\nExample Application\n-------------------\n\n1. Download shapefile\n https://www2.census.gov/geo/tiger/GENZ2022/shp/cb_2022_us_state_500k.zip\n2. Run tool:\n\n.. code-block::bash\n\n python shp2cmaq.py cb_2022_us_state_500k.zip STUSPS 12US1\n\n.. code-block::python\n\n # shp2cmaq file should be in run directory\n import shp2cmaq\n shp2cmaq.shp2cmaq('cb_2022_us_state_500k.zip', 'STUSPS', '12US1')\n\n\"\"\"\nimport os\nimport string\n\n\n__version__ = '1.0'\n\n\ndef shp2cmaq(\n shppath, attrkey, gdnam, gdpath=None, outpath=None, bcrs='EPSG:4269',\n srckey='intersection_area', outformat='NETCDF4_CLASSIC', prefix=None,\n overwrite=False, verbose=1\n):\n \"\"\"\n Arguments\n ---------\n shppath : str\n Path to a shapefile or zip file containing a shapefile\n attrkey : str\n Column to group shapes by e.g., STUSPS of census (AL, NC, etc)\n gdnam : str\n Name of grid definition within gdpath (e.g., 12US1, 108NHEMI2)\n gdpath : str\n Path to a GRIDDESC file (optional for EPA domains 1US1, 4US1, 12US1,\n 12US2, 36US3, 108NHEMI2, etc)\n outpath : str\n Defines where the output will be stored.\n outformat : str\n Either NETCDF4_CLASSIC or NETCDF3_CLASSIC (bigger, more compatible)\n prefix : str\n Variable names with be _ (STUSPS_NC)\n srckey : str\n intersection_area, uses the area overlap.\n Anything else, uses srckey * intersection_area / shape_area\n overwrite : bool\n If True, overwrite without asking.\n verbose : int\n Level of verbosity\n \"\"\"\n import cmaqsatproc as csp\n import geopandas as gpd\n\n if prefix is None:\n prefix = f'{attrkey}_'\n prefix = prefix.upper()\n\n if outpath is None:\n if isinstance(shppath, str):\n rootname = os.path.splitext(os.path.basename(shppath))[0]\n outpath = f'./{rootname}.{attrkey}.{gdnam}.IOAPI.nc'\n else:\n raise ValueError('outpath is required when shppath is not a string.')\n\n if os.path.exists(outpath):\n if overwrite:\n print(f'INFO: Overwriting {outpath}.')\n else:\n print(f'Using cached {outpath}; set overwrite=True to remake.')\n return outpath\n\n if verbose > 0:\n print(f'INFO: Running this will create {outpath}.')\n\n gf = csp.open_griddesc(gdnam, gdpath=gdpath)\n if gf.GDTYP == 6:\n # For polar stereographic, make sure the bounds are reasonable.\n bbox = (-181, -30, 181, 91)\n else:\n # The default bounding box is the perimiter in WGS84 + 1 degree buffer\n # You may need to update 4326 to match your shapefile\n bbox = gf.csp.geodf.envelope.to_crs(\n bcrs\n ).unary_union.envelope.buffer(1).bounds\n\n if isinstance(shppath, str):\n shpf = gpd.read_file(shppath, bbox=bbox)\n elif isinstance(shppath, gpd.GeoDataFrame):\n shpf = shppath\n else:\n raise TypeError(\n 'shppath must be a path to a polygon file or a geopandas.'\n + f'GeoDataFrame; got {type(shppath)}'\n )\n if srckey != 'intersection_area':\n if srckey not in shpf.columns:\n raise KeyError(f'Cannot find {srckey}; found {shpf.columns}')\n\n if attrkey not in shpf.columns:\n print('WARNING: attrkey must be in or derived from columns:')\n print(sorted(shpf.columns))\n\n if bcrs != shpf.crs:\n print(f'INFO: Bounding box in {bcrs} and shapefile in {shpf.crs}.')\n print('INFO: If both are lat/lon variants, this is okay.')\n print(f'INFO: You can set bcrs=\\'{shpf.crs}\\' and run again')\n\n # Reproject input as grid projection and add custom variable with\n # basic name cleanup\n dshpf = shpf.to_crs(gf.csp.geodf.crs)\n attrdefn = f'{attrkey} removing spaces and special characters'\n # Derive custom key from another existing key\n dshpf['custom'] = prefix + dshpf[attrkey].astype(str)\n # Cleanup names using a few common rules\n dshpf['custom'] = dshpf['custom'].str.upper().str.replace('-', '_')\n dshpf['custom'] = dshpf['custom'].str.replace('~', '_')\n dshpf['custom'] = dshpf['custom'].str.replace('.', '_')\n dshpf['custom'] = dshpf['custom'].str.replace('_99', 'UNK')\n # add your own additional cleanup\n # dshpf['custom'] = dshpf['custom']...\n\n # Warn about weird names\n allowed_ascii = string.ascii_uppercase + string.digits + '_'\n anywarning = 0\n for cat in dshpf['custom']:\n if len(cat) > 15:\n print(f'WARNING: {cat} is longer than 15 characters.')\n anywarning += 1\n if cat[:1] not in string.ascii_uppercase:\n print(f'WARNING: {cat} starts with non uppercase ascii.')\n anywarning += 1\n for c in cat:\n if c not in allowed_ascii:\n print(f'WARNING: {cat} has unallowed characters.')\n anywarning += 1\n break\n if anywarning > 0:\n msg = 'INFO: Using names longer than 15 characters, with non-uppercase'\n msg += ' characters, or having special characters can cause issues'\n msg += ' when used with CMAQ. To shorten names, try adding a'\n msg += ' shorter than the attrkey. Or make a custom attribute'\n msg += ' that is shorter before processing.'\n print(msg)\n msg = 'EXAMPLE: Trim off first 7 characters of geoid\\n'\n msg += ' import geopandas\\n'\n msg += ' from shp2cmaq import shp2cmaq\\n\\n'\n msg += ' shppath = \"acs2022_5yr_B01003_04000US21.shp\"'\n msg += ' shpf = gpd.read_file(shppath)\\n'\n msg += ' shpf[\"shortname\"] = shpf[\"geoid\"].str[7:]\\n'\n msg += ' shp2cmaq(shpf, \"shortname\", \"36US3\", srckey=\"B01003001\")'\n print(msg)\n \n # only required if calculating weighted values\n dshpf['shape_area'] = dshpf.geometry.area\n\n if verbose > 0:\n print('Unique Labels:')\n print(dshpf['custom'].unique())\n\n # Calculate variables for each unique attribute value for fractional\n # area overlap, the dominant value\n domkey = f'{prefix}DOM'\n totkey = f'{prefix}TOT'\n\n attr_area = gpd.overlay(\n dshpf, gf.csp.geodf.reset_index(), how='intersection'\n )\n intersection_area = attr_area.geometry.area\n if srckey == 'intersection_area':\n attr_area[srckey] = intersection_area\n else:\n # Add a intersection area weighted attribute value (e.g., population)\n weight = intersection_area / attr_area['shape_area']\n attr_area[srckey] = weight * attr_area[srckey]\n\n attrkeys = sorted(attr_area['custom'].unique())\n attr_area['custom_idx'] = attr_area['custom'].apply(attrkeys.index)\n gbkeys = ['custom', 'ROW', 'COL']\n attr_area_sum = attr_area.groupby(gbkeys).sum(numeric_only=True)\n\n dom_area = attr_area.sort_values(\n by=srckey, ascending=False\n ).groupby(['ROW', 'COL']).agg(**{\n 'custom': ('custom', 'first'), domkey: ('custom_idx', 'first'),\n totkey: (srckey, 'sum')\n })\n dom_area_ds = dom_area.to_xarray()\n catds = attr_area_sum[srckey].unstack('custom').fillna(0).to_xarray()\n\n catds[totkey] = dom_area_ds[totkey]\n\n # Add all variables to gf\n for vark, var in catds.data_vars.items():\n print(vark, end=',', flush=True)\n gf[vark] = var.astype('f')\n var_desc = f'Fractional overlap of {vark} with {gdnam}'\n gf[vark].attrs.update(\n long_name=vark.ljust(16),\n var_desc=var_desc.ljust(80)[:80],\n unit='1'.ljust(16)\n )\n\n # Set any missing values (i.e., no overla) to 0.\n for vark in gf.data_vars:\n gf[vark] = gf[vark].fillna(0)\n\n # Add dominant key variable with custom missing value.\n gf[domkey] = dom_area_ds[domkey].fillna(-999).astype('i')\n gf[domkey] = gf[domkey].fillna(-999).astype('i')\n desctxt = str({k: i for i, k in enumerate(attrkeys)})[:-1]\n desctxt += \", 'UNASSIGNED': -999}\"\n gf[domkey].attrs.update(\n long_name=domkey.ljust(16),\n var_desc=f'Dominant {attrkey} for {gdnam} cell'.ljust(80)[:80],\n units='1'.ljust(16), description=desctxt\n )\n\n # Add IOAPI meta-data\n igf = gf.expand_dims(TSTEP=1, LAY=1).csp.to_ioapi()\n desctxt = f'{attrkey} fractional area coverage, total ({prefix}TOT) and'\n desctxt += f' dominant ({prefix}DOM)'\n igf.attrs['FILEDESC'] = f\"\"\"title: {outpath}\n author: shapefile2cmaq\n description: {desctxt}\n inputs:\n - Shapefile: {shppath}\n - Attribute: {attrdefn}\n - GDNAM: {gdnam}\n - GDPATH: {gdpath}\n file_version: 1.0\n tool_version: {__version__}\n \"\"\".ljust(80*60)[:60*80]\n outdir = os.path.dirname(outpath)\n if outdir != '':\n os.makedirs(outdir, exist_ok=True)\n igf.to_netcdf(outpath, format=outformat)\n return outpath\n\n\nif __name__ == '__main__':\n import argparse\n prsr = argparse.ArgumentParser()\n aa = prsr.add_argument\n hstr = 'level of verbosity'\n aa('--verbose', help=hstr, default=0, action='count')\n hstr = 'Overwrite existing output'\n aa('--overwrite', help=hstr, default=False, action='store_true')\n hstr = 'NETCDF4_CLASSIC (smaller) or NETCDF3_CLASSIC (more compatible)'\n aa('--outformat', help=hstr, default='NETCDF4_CLASSIC')\n hstr = 'Variable names with be _'\n aa('--prefix', help=hstr, default=None)\n hstr = 'Anything other than intersection_area, uses srckey'\n hstr += ' * intersection_area / shape_area'\n aa('--srckey', help=hstr, default='intersection_area')\n aa('--gdpath', help='GRIDDESC path', default=None)\n aa('shppath', help='Path to shapefile or zip containing shapefile')\n aa('attrkey', help='Attribute in shapefile')\n aa('GDNAM', help='Grid definition name (must be in gdpath)')\n aa('outpath', nargs='?', default=None)\n args = prsr.parse_args()\n shp2cmaq(vars(args))\n" }, { "path": "README.md", "content": "CMAQv5.5\n==========\n\n[![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.13883210.svg)](https://doi.org/10.5281/zenodo.13883210)\n\nUS EPA Community Multiscale Air Quality Model (CMAQ) Website: https://www.epa.gov/cmaq\n\nCMAQ is an active open-source development project of the U.S. EPA's Office of Research and Development that consists of a suite of programs for conducting air quality model simulations.\nCMAQ is supported by the CMAS Center: http://www.cmascenter.org\n\nCMAQ combines current knowledge in atmospheric science and air quality modeling with multi-processor\ncomputing techniques in an open-source framework to deliver fast, technically sound estimates of ozone,\nparticulates, toxics, and acid deposition.\n\nPlease see our 'How to Cite CMAQ' page if you are interested in referencing one of our released model versions, scientific algorithms, or model output in your own publication: https://www.epa.gov/cmaq/how-cite-cmaq\n\n## CMAQ version 5.5 Overview:\n\n* [Frequently asked questions for upgrading to the latest CMAQ version](https://github.com/USEPA/CMAQ/wiki/CMAQv5.5-Series-FAQ) **- Updated for v5.5 release.** \n* [CMAQv5.5 Release Notes](https://github.com/USEPA/CMAQ/wiki/CMAQ-Release-Notes) - Release Notes are available on the CMAQ GitHub wiki.\n* [Tutorials for setting up and running CMAQ](DOCS/Users_Guide/Tutorials/README.md) **- Tutorials on running CMAQ, CMAQ-ISAM, CMAQ-DDM, and WRF-CMAQ test cases.**\n\n## New features in CMAQ version 5.5 include:\n\n* Community Regional Atmospheric Chemistry Multiphase Mechanism (CRACMM) version 2 including updated formaldehyde chemistry impacting ozone and secondary organic aerosol formation\n* New support for running pre-configured global CMAQ simulations coupled with meteorology from the Model for Prediction Across Scales – Atmosphere (MPAS-A) \n* Expanded capabilities of the Integrated Source Apportionment Method (ISAM) to quantify source contributions to total secondary organic aerosol (SOA) and individual species\n* Updates to ISAM source attribution estimates, mainly impacting coarse particles and secondary organic aerosols formed through cloud processes\n* Updates to the Decoupled Direct Method (DDM) to improve second order ozone sensitivities. (*Note that DDM-3D is not compatible with the STAGE deposition model in CMAQv5.5.*) \n* Updated chemistry to properly capture photolysis effects from sub-grid clouds\n* Revised algorithms for modeling dry deposition (M3DRY and STAGE updates)\n* Improved accuracy and error checking for BDSNP soil NO in the MEGAN biogenic emissions algorithm \n* MCIP (meteorology pre-preprocessor) updates to grid origin definition for fine scale Lambert Conformal Grids (i.e., < 4km )\n* Updates to Sulfur Tracking Model (STM) to properly attribute sulfate from gas phase chemistry\n* Updates to the Explicit and Lumped Model Output (ELMO) synthesizer to fix erroneous output for several PM aggregates including PMF_OC, PMF_NCOM, TNO3\n* New shp2cmaq python tool to convert GIS shapefiles into gridded netCDF mask files that can be used for defining regions and region families with DESID and using geographic source regions when running CMAQ-ISAM\n* Simplified workflows for easier CMAQ installation\n\n* **See the full list of CMAQv5.5 updates on our new CMAQ Wiki page. [**CMAQv5.5 Updates**](https://github.com/USEPA/CMAQ/wiki/CMAQv5.5-Series-FAQ#do-i-need-to-update-from-v54-to-v55)**\n\n## Important note for WRF-CMAQ users\nCoupled WRF-CMAQv5.5 [(Wong et al., 2010)](https://doi.org/10.5194/gmd-5-299-2012) is compatible with WRF versions 4.4 to 4.5.1. EPA's testing of WRF-CMAQ has included chemical mechanisms CB6r5 and CRACMMv1 with the M3DRY dry deposition scheme. Other model options can be used with the WRF-CMAQ model but will have limited user support for issues that are encountered. See the [WRF-CMAQv5.5 Release Note](https://github.com/USEPA/CMAQ/wiki/CMAQ-Release-Notes:-WRF-CMAQ-Coupled-Model#compatibility-issues-with-wrf-versions-452-and-later) for more information. \n\n## Getting the CMAQ Repository\nThis CMAQ Git archive is organized with each official public release stored as a branch on the main USEPA/CMAQ repository. The most recently released version of the the model will always be on the branch called 'main'. To clone code from the CMAQ Git archive, specify the branch (i.e. version number) and issue the following command from within a working directory on your server:\n\n```\ngit clone -b main https://github.com/USEPA/CMAQ.git CMAQ_REPO\n```\n\nor\n```\ngit clone -b main git@github.com:USEPA/CMAQ.git CMAQ_REPO\n```\n\n### CMAQv5.5 Bug Fixes\nUsers who wish to adopt the most recent bugfixes or minor updates to v5.5 should review the tagged versions of v5.5+: \n**[Record of changes to CMAQv5.5](https://github.com/USEPA/CMAQ/wiki/CMAQ-Bugfix-Branch#record-of-changes-to-cmaqv55)**\n\nTo clone code with all of the CMAQv5.5 bug fixes issue the following command from within a working directory on your server:\n```\n git clone -b 5.5+ https://github.com/USEPA/CMAQ.git CMAQ55plus_REPO\n```\n\n## CMAQ Repository Guide\nSource code and scripts are organized as follows:\n* **CCTM (CMAQ Chemical Transport Model):** code and scripts for running the 3D-CTM at the heart of CMAQ.\n* **DOCS:** CMAQ User's Guide, developers guidance, and short tutorials.\n* **PREP:** Data preprocessing tools for important input files like initial and boundary conditions, meteorology, etc.\n* **POST:** Data postprocessing tools for aggregating and evaluating CMAQ output products (e.g. Combine, Site-Compare, etc)\n* **PYTOOLS:** Python pre- and postprocessing tools (currently this includes the DMSCHLO preprocessor)\n* **UTIL:** Utilities for generating code and using CMAQ (e.g. chemical mechanism generation)\n\n## Documentation\nCode documentation is included within this repository (they are version-controlled along with the code itself). \n\n* [FAQ for upgrading to the latest CMAQ version](https://github.com/USEPA/CMAQ/wiki/CMAQv5.5-Series-FAQ) \n* [CMAQv5.5 Release Notes](https://github.com/USEPA/CMAQ/wiki/CMAQ-Release-Notes)\n* [Tutorials](DOCS/Users_Guide/Tutorials/README.md) \n* [CMAQ User's Guide](DOCS/Users_Guide/README.md) \n* [Developers' Guide](DOCS/Developers_Guide/CMAQ_Dev_Guide.md)\n\n## CMAQ Test Cases \nTest case input and output data for the CMAQv5.5 release are available from the CMAS Data Warehouse. Step-by-step benchmark tutorials using the test case data are provided in the GitHub repo. \n* [CMAQ Test Case Data](DOCS/CMAQ_Data.md)\n\n\n## Other Online Resources \n* [Resources for Running CMAQ on Amazon Web Services](https://www.epa.gov/cmaq/cmaq-resourcesutilities-model-users#cmaq-on-the-cloud)\n* [Software Programs for Preparing CMAQ Inputs](https://www.epa.gov/cmaq/cmaq-resourcesutilities-model-users#prepare_cmaq_inputs)\n* [Software Programs for Evaluating and Visualizing CMAQ Outputs](https://www.epa.gov/cmaq/cmaq-resourcesutilities-model-users#evaluate_visualize_cmaq)\n* [2000 - 2023 air quality observation data from the CMAS Center Data Warehouse](https://drive.google.com/drive/u/1/folders/1QUlUXnHXvXz9qwePi5APzzHkiH5GWACw) - These files are formatted to be compatible with the [Atmospheric Model Evaluation Tool](https://www.epa.gov/cmaq/atmospheric-model-evaluation-tool).\n \n## User Support\n* [Frequent CMAQ Questions](https://www.epa.gov/cmaq/frequent-cmaq-questions) are available on our website.\n* [Debugging tips](https://github.com/USEPA/CMAQ/blob/main/DOCS/Users_Guide/Tutorials/CMAQ_UG_tutorial_debug.md) are included with the CMAQ tutorials. \n* [The CMAS User Forum](https://forum.cmascenter.org/) is available for users and developers to discuss issues related to using the CMAQ system.\n [**Please read and follow these steps**](https://forum.cmascenter.org/t/please-read-before-posting/1321) prior to submitting new questions to the User Forum.\n\n## EPA Disclaimer\nThe United States Environmental Protection Agency (EPA) GitHub project code is provided on an \"as is\" basis and the user assumes responsibility for its use. EPA has relinquished control of the information and no longer has responsibility to protect the integrity, confidentiality, or availability of the information. Any reference to specific commercial products, processes, or services by service mark, trademark, manufacturer, or otherwise, does not constitute or imply their endorsement, recommendation or favoring by EPA. The EPA seal and logo shall not be used in any manner to imply endorsement of any commercial product or activity by EPA or the United States Government.\n\n* [Open source license](license.md)\n" }, { "path": "UTIL/README.md", "content": "CMAQ Utilities \n========\n\n## Overview\nThe CMAQ release includes several optional utilities for model developers. Chemical reaction data is processed by the Chemical Mechanism Compiler (*chemmech*) for all chemical reaction solver approaches. This tool needs chemical namelists (e.g. GC_NAMELIST, AE_NAMELIST, etc) in order to run, and these namelists can be modified directly with a text editor or converted to CSV with the namelist converter *nml*. After running chemmech, to then generate files specifically for the Euler Backward Iterative (EBI) solver approach, the *create_ebi* is provided. Finally the Inline Photolysis Preprocessor (*inline_phot_preproc*) provides support for generating photylisis rate input to custom chemical mechanisms. In addition, the CMAQ repository includes software for generating Makefiles necessary for compiling the CCTM and other components. This bldmake utility is designed to account for user options, diagnose dependencies in source code and produce a Makefile ready to build executable files. Documentaiton for each utilitiy programs is provided in the README files within each folder. \n\n## Utility Programs\n\n* **[bldmake](bldmake/README.md)**: CMAQ Makefile generator and model builder\n* **[chemmech](chemmech/README.md)**: generates chemical mechanism input files for the CMAQ programs from a mechanism definition file\n* **[create_ebi](create_ebi/README.md)**: creates mechanisms-dependent EBI chemistry solver source code \n* **[inline_phot_preproc](inline_phot_preproc/README.md)**: creates photolysis reaction parameter tables for the CCTM inline photlysis module\n* **[nml](nml/README.md)**: converts chemical mechanism csv output files from chemmech to the namelist files required by the CMAQ programs\n* **[jproc](jproc/README.md)**: calculates daily look-up tables containing clear-sky photolysis rates that are used by the tabular method for calculate photolysis rates in CMAQ CCTM.\n" }, { "path": "UTIL/bldmake/README.md", "content": "The bldmake utility is used to create a Makefile suitable for compiling the components of CMAQ (e.g. CCTM, post-processing tools, ICON, BCON, etc.). The Makefiles produced will contain the proper rules, compilation flags, and library paths to produce each executable. \n\nThe utility relies on a text-based configuration file (e.g. CCTM_v53.cfg) to determine the contents of the Makefile. Each configuration file includes information about the build-time options for the target executable, the compiler brand and version, the paths to required libraries (i.e. NetCDF and IOAPI), and compilation flags. With this input, bldmake harvests source code from the CMAQ repository consistent with the selected build-time options and auto-populates the Makefile with the correct dependencies for each process module. \n\nNote that each Makefile created by bldmake will only work for a specific compiler/version (set in the input to bldmake). Users should ensure that their compute environment is consistent when compiling with that Makefile and running the generated executable. \n\nThe CMAQ repo contains shell script drivers (e.g. bldit_cctm.csh, bldit_combine.csh, etc.) for choosing build options, populating the bldmake configuration file, running bldmake to generate a Makefile, and running the Makefile to create an executable. The CMAQ team recommends users refrain from modifying bldmake or executing it stand-alone. Instead, please use these shell script drivers. \n\n\n" }, { "path": "UTIL/bldmake/scripts/bldit_bldmake.csh", "content": "#! /bin/csh -f\n\n# ==================== Build Script for BLDMAKE ===================== #\n# Usage: bldit_bldmake.csh #\n# Requirements: I/O API & netCDF libraries; a Fortran compiler #\n# #\n# To report problems or request help with this script/program: #\n# http://www.cmascenter.org #\n# =================================================================== #\n\n#> Recompile BLDMAKE from source if requested or if it does not exist\n if ( $?CompileBLDMAKE || ! -f $BLDER ) then\n\n if (${compiler} == pgi) then\n # this addition flag is for handling backslash in quoted string properly\n set add_flags = -Mbackslash\n else\n set add_flags = \n endif\n\n #> Set BLDER to Default Path\n set BLDEXE = \"bldmake_${compilerString}.exe\"\n set BLDDIR = \"$CMAQ_HOME/UTIL/bldmake\"\n setenv BLDER \"${BLDDIR}/${BLDEXE}\"\n \n #> Make bldmake directory if it does not exist\n if ( ! -d $BLDDIR ) mkdir -pv $BLDDIR\n \n #> Compile BLDMAKE source code\n set BLDSRCDIR = \"$CMAQ_REPO/UTIL/bldmake/src\"\n set flist = (\\\n cfg_module\\\n bldmake\\\n parser\\\n utils )\n \n #> Clean Destination BLDMAKE directory\n cd $BLDDIR\n rm *.o *.mod $BLDER\n \n #> Create Object Files\n cd $BLDSRCDIR\n foreach file ( $flist )\n $myFC -c $add_flags $myFFLAGS $file.f -o $BLDDIR/$file.o\n end\n \n #> Compile BLDMAKE\n cd $BLDDIR\n $myFC *.o -o $BLDEXE\n if( ! -e $BLDEXE ) then\n echo \" \"; echo \" ***ERROR*** BLDMAKE Compile failed\"; echo \" \"\n exit 1\n endif\n chmod 755 $BLDEXE\n echo \" \"; echo \" Finish building $BLDEXE \"\n \n endif\n \n exit\n" }, { "path": "UTIL/bldmake/src/Makefile", "content": "# make file to build bldmake program\n\n EXEC = bldmake\n\n#To use nondefault compiler, type \"make COMPILER=compiler\" where compiler is PGF90 or GFORT.\n\nifndef COMPILER\n#COMPILER = INTEL\n#COMPILER = PGF90\n COMPILER = GFORT\nendif\n\nifeq ($(COMPILER),INTEL)\n FC = ifort\n#F_FLAGS = -O2 -fixed -extend_source -WB \n F_FLAGS = -g -fixed -CU -CB -g -traceback -extend_source -WB \nelse ifeq ($(COMPILER),PGF90)\n FC = pgf90\n F_FLAGS = -Bstatic -Mextend -Mbounds -Mfixed -traceback -Mbackslash\nelse ifeq ($(COMPILER),GFORT)\n FC = gfortran\n F_FLAGS = -ffixed-form -ffixed-line-length-132 -fcheck=all -fbacktrace\nelse\n ERROR1 = \"Makefile does not configure to support the specified compiler, $(COMPILER). User must modify Makefile.\"\nendif\n\nifdef ERROR1\n $(error $(ERROR1))\nendif\n\n OBJS= cfg_module.o parser.o utils.o bldmake.o\n\n.SUFFIXES: .f\n\n$(EXEC): $(OBJS)\n\t$(FC) $(OBJS) -o $@\n\n.f.o:\n\t$(FC) -c $(F_FLAGS) $<\n\nclean:\n\t\\rm -f *.o *.mod \n# make file to build bldmake program\n\n" }, { "path": "UTIL/bldmake/src/bldmake.f", "content": "!-----------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies!\n! of their work in the CMAQ system to the public and to permit others !\n! to Do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!-----------------------------------------------------------------------!\n\n!-------------------------------------------------------------------------------\n! PROGRAM bldmake\n! Generate a Makefile for source files extracted from a git repository\n! originally written in C by Steve Thorpe\n! rewritten in Fortran by Steve Howard (for a CVS repository)\n! redone to meet CMAQ coding standards by Jeff Young (Nov 2012)\n! Sep 2013 J.Young: Increased local variables \"modName\" and \"modFile\" name\n! lengths from 32 to 64 chars\n! Dec 2013 D.Wong: Expanded functionality to handle twoway model\n! Sep 2014 D.Wong: Setup . as the path that contains *.EXT files\n! Aug 2015 D.Wong: Modified subroutine writeOBJS to put STENEX and PARIO\n! in front of GLOBAL_MODULES in the OBJS sequence. In\n! this arrangement, all routines in STENEX will stay under\n! STENEX and all routines in PARIO will stay under PARIO\n! rather than GLOBAL_MODULES\n! Oct 2015 J.Young: Rework to make macros in the makefile for libs and\n! compiler \"I\" references; get rid of the CVS option.\n! Jan 2016 D.Wong: Fixed the include path of mpif.h\n! June 2019 F. Sidi: Removed redundant IOAPI library. Makefile generated \n! consistant with IOAPI library format.\n! July 2019 F. Sidi: Added netCDF Fortran Library Path. Makefile generated \n! consistent with netCDF library format. \n! Nov 2020 D. Wong: moified the code to build Makefile.twoay automatically\n! when build_twoway is turned on\n! jan 2020 D. Wong: indlucded a help message for option -twoway\n! June 2021 F. Sidi: Restore reading of MPICH string from cfg for mpi libraries \n!-------------------------------------------------------------------------------\n\n Program bldmake\n\n Use ModelCFG\n\n Implicit None\n\n Character( EXT_LEN ) :: cfgFile ! config file\n Integer :: lfn = 11 ! config file unit\n Integer status\n Integer n\n\n! call Setup routine to process command line arguments\n Call setup( cfgFile )\n\n! open cfgFile\n Open ( unit=lfn, file=cfgFile, status='old', iostat=status )\n If ( status .Ne. 0 ) Then\n Write( *,'(\" Open error number:\",i5)') status\n Call error_msg( 'Cannot open FILE [' // Trim(cfgFile) //']' )\n End If\n\n! read CFG file\n Call readCFG( lfn )\n Close ( unit=lfn )\n\n! GIT repository\n Call git_export( status )\n\n! create Makefile\n if (twoway) then\n Open ( unit=lfn, file='Makefile.twoway', iostat=status )\n else\n Open ( unit=lfn, file='Makefile', iostat=status )\n end if\n If ( status .ne. 0 ) Call error_msg( 'Cannot create FILE [Makefile]' )\n\n Call makefile( lfn, cfgFile )\n\n Close (unit=lfn)\n\n! Delete Stray temp.* files\n Call deletefile( 'temp.*', status )\n! If not makefile only (makefo), Then run the make command to compile\n If ( .not. makefo ) Then\n Call RunMake( status )\n End If\n\n Stop\n End Program bldmake\n\n!-------------------------------------------------------------------------------\n! Setup routine: gets input file and run options from command line\n!-------------------------------------------------------------------------------\n Subroutine setup( cfgFile )\n\n Use ModelCfg\n\n Implicit None\n\n! arguments\n Character( * ) :: cfgFile\n\n! functions\n Integer :: IARGC\n\n! local variables\n Integer :: status\n Integer :: nargs\n Integer :: n\n Character( NAME_LEN ) :: argv\n\n! date and time variables\n Character( 8 ) :: cdate\n Character( 10 ) :: ctime\n Character( 5 ) :: czone\n Integer :: dateValues( 8 )\n\n! set defaults\n verbose = .False.\n serial = .False.\n debug = .False.\n debug_cctm= .False.\n isam_cctm = .False.\n checkout = .False.\n makefo = .False.\n twoway = .False.\n git_local = .False.\n repo = ' '\n reporoot = ' '\n\n! check number of arguments on command line\n nargs = IARGC() ! non-standard compiler extension returns the number of arguments\n If ( nargs .Eq. 0 ) Then\n Call help_msg('No arguments on command line')\n Stop\n End If\n\n! get last argument (the bldit-created config file) and write to cfgFile\n Call GETARG( nargs, cfgFile ) ! non-standard compiler extension returns argument\n ! specified - the last argumet in this case\n If ( cfgFile( 1:1 ) .Eq. '-' ) Then ! config file not the last argument\n Call ucase( cfgFile )\n\n If ( cfgFile .Eq. '-HELP' ) Then\n Call help_msg(' ')\n Call cfgHelp( ); Stop\n End If\n\n Call help_msg('Invalid configuration file argument:' // Trim( cfgFile ) )\n Stop\n End If\n\n ! write( *,* ) \"cfg: \", cfgfile\n ! write( *,* ) \"nargs: \", nargs\n\n! check for run options\n Do n = 1, nargs-1\n Call GETARG( n, argv )\n\n ! write( *,* ) \"n, argv: \", n, argv\n\n If ( argv( 1:1 ) .Ne. '-' ) Then\n Call help_msg('Invalid arguments on command line:' // Trim( argv ) )\n Stop\n End If\n\n Call ucase( argv )\n\n If ( argv .Eq. '-HELP' ) Then\n Call help_msg('Help option:' // Trim( argv ) )\n Call cfgHelp( ); Stop\n End If\n\n If ( argv .Eq. '-MAKEFO' ) Then ! Make file only\n makefo = .True.; Cycle\n End If\n\n If ( argv .Eq. '-SERIAL' ) Then ! compile for serial execution\n serial = .True.; Cycle\n End If\n\n If ( argv .Eq. '-TWOWAY' ) Then ! WRF-CMAQ twoway CCTM\n If ( .Not. serial ) Then\n twoway = .True.; Cycle\n Else\n stop ' TwoWay not available for Serial execution'\n End If\n End If\n\n If ( argv .Eq. '-GIT_LOCAL' ) Then ! do not copy source files to BLD directory\n git_local = .True.; Cycle\n End If\n\n If ( argv .Eq. '-DEBUG' ) Then\n debug = .True.; Cycle\n End If\n\n If ( argv .Eq. '-DEBUG_CCTM' ) Then\n debug_cctm = .True.; Cycle\n End If\n\n If ( argv .Eq. '-ISAM_CCTM' ) Then\n isam_cctm = .True.; Cycle\n End If\n\n If ( argv .Eq. '-VERBOSE' ) Then\n verbose = .True.; Cycle\n End If\n\n Call help_msg( 'Invalid arguments [' // Trim(argv) // '] on command line' )\n\n End Do\n\n! If REPOROOT is defined, use it, Else set to current directory\n Call GETENV( 'REPOROOT', reporoot )\n If ( Len_Trim( reporoot ) .Eq. 0 ) Then\n Call PWD( reporoot, status )\n If ( status.ne.0 ) reporoot = './'\n End If\n If ( debug .or. verbose ) Then\n Write( *,'(''REPOROOT set to:'',a,/)') Trim( reporoot )\n End If\n\n! Get system date and time\n Call date_and_time( cdate, ctime, czone, dateValues )\n Write( currentDate, '(i2.2,\"/\",i2.2,\"/\",2i4.2,\":\",i2.2,\":\",i2.2)' )\n & dateValues( 2 ), dateValues( 3 ), dateValues( 1 ),\n & dateValues( 5 ), dateValues( 6 ), dateValues( 7 )\n\n Return\n End Subroutine setup\n\n!-------------------------------------------------------------------------------\n! Help message: Prints command line format and options and stops run\n!-------------------------------------------------------------------------------\n Subroutine help_msg( msg )\n\n Implicit None\n\n! arguments\n Character(*) msg\n\n Write( *,'(/,a)' ) Trim( msg )\n\n Write( *,'(/\"Usage: bldmake [-2O) ---> 2OH present | Needed to solve Group 1 and 2 |\n| NO2 ---> NO+O(3P) present | Needed to solve Group 1 |\n| N2O and excited NO2 are not active in NOx cycle | If the two species are present, their chemistry upsets the accuracy of the analytical soluton for NOx species |\n| O(3P) (+ O2) ---> O3 present | Needed to solve Group 1 |\n| NO + O3 ---> NO2 present | Needed to solve Group 1 and 2 |\n| HONO ---> OH + NO present | Needed to solve Group 2; often a photolysis reaction |\n| OH + NO ---> HONO present | Needed to solve Group 2; often a photolysis reaction |\n| HNO4 ---> HO2 + NO2 present | Needed to solve Group 2 |\n| HO2 + NO2 ---> HNO4 present | Needed to solve Group 2 |\n| HO2 + HO2 ---> H2O2 present | Needed to solve Group 2 |\n| C2H3O3 + C2H3O3 ---> _products_ present | Needed to solve Group 3; products mechanism dependent |\n| Negative product coefficients are only allowed for a photochemical species named PAR | Exception made for Carbon Bond mechanisms |\n\n\n### Using create_ebi\n\nThe create_ebi utility is designed compiled and run once for each application. Beside the utility's own source code and data files, compiling needs a photochemical mechanism's data module defined by the run script (Table 3.). If compilation is successful, the utility runs based on the run script options. \n\nTo create a new EBI solver based on photochemical mechanism's reactions data module:\n\n1) Copy scripts/bldrun.create_ebi.csh into its parent directory. _The bldrun script assumes that value of base is {CMAQ_REPO}/UTIL/create_ebi._\n\n2) Edit to define the FORTRAN compiler and mechanism's data module. See to Table 3 for options set by bldrun script.\n\n3) Execute the script. _The script compiles create_ebi then runs the utility._\n\n4) Check the OUTDIR for the code files for the ebi solver, produced.\n\n
Table 3. create_ebi environment settings or run time options
\n\n | Names | Definition | Notes or Recommeded Value |\n |:-----|:-----|:------|\n | COMPILER | FORTRAN compiler to building create_ebi | the utility's makefile, _makefile.v5XX_, is step up for the Intel (INTEL), Portland Group (PGF90) and GCC gfortran (GFORT) compilers. If a separate compiler is to be used, the user has to modify the makefile to define the compiler and its compile flags, recommend including debugging flags| \n | RXNS_DATA_SRC | Full path to mechanism's RXNS_DATA_MODULE.F90 | Produced by CHEMMECH utility | \n | TMPLDIR | Full path to for FORTRAN templates for solver files | ${CMAQ_REPO}/UTIL/create_ebi/template_RXNSU_OPT | \n | DEGRADE_CODES | Full path to FOTRAN code fors exponential decay of select air toxic. Check Table 4. | ${CMAQ_REPO}/UTIL/create_ebi/degrade_codes_serial-RXNST | \n | SRCDIR | Full path to FORTRAN codes for create_ebi utility | ${CMAQ_REPO}/UTIL/create_ebi/src_RXNSU | \n | OUTDIR | Full path where to write output files | actual value is up to the user | \n | PAR_NEG_FLAG | whether mechamisms has the species PAR and the species as negative production coefficients | T for Carbon Bond based mechanism but F for other mechanisms1 | \n | DEGRADE_SUBS | include calls for HAPs degrade routines | T | \n | SOLVER_DELT | Default time step of solver in minutes | 2.5 but saprc07tic mechanism uses 1.25 | \n | MECH_NO | mechanism's name for nitrogen oxide | **NO** for cb6, saprc07t and racm22 based photochemical mechanisms | \n | MECH_NO2 | mechanism's name for nitrogen dioxide | **NO2** for cb6, saprc07t and racm2 based photochemical mechanisms | \n | MECH_O3 | mechanism's name for ozone | **O3** for cb6, saprc07t and racm2 based photochemical mechanisms | \n | MECH_O3P | mechanism's name for ground state oxygen atom | **O** for cb6 but **O3P** for saprc07t and racm2 based photochemical mechanisms | \n | MECH_O1D | mechanism's name for excited state oxygen atom | **O1D** for cb6, saprc07t and racm2 based photochemical mechanisms | \n | MECH_OH | mechanism's name for hydroyxl radical | **OH** for cb6 and saprc07t but **HO** for racm2 based photochemical mechanisms | \n | MECH_HO2 | mechanism's name for hydroperoxy radical | **HO2** for cb6, saprc07t and racm2 based photochemical mechanisms | \n | MECH_HONO | mechanism's name for nitrous acid | **HONO** for cb6, saprc07t and racm2 based photochemical mechanisms | \n | MECH_HNO4 | mechanism's name for proxynitric acid | **PNA** for cb6 but **HNO4** for saprc07t and racm2 based photochemical mechanisms | \n | MECH_PAN | mechanism's name for peroxy acetyl nitrate | **PAN** for cb6, saprc07t and racm2 based photochemical mechanisms | \n | MECH_C2O3 | mechanism's name for peroxy acetyl radical | **C2O3** for cb6, **MECO3** for saprc07t and **ACO3** racm2 based photochemical mechanisms | \n | MECH_NO3 | mechanism's name for nitrate radical | **NO3** for cb6, saprc07t and racm2 based photochemical mechanisms | \n | MECH_N2O5 | mechanism's name for dinitrogen pentoxide | **N2O5** for cb6, saprc07t and racm2 based photochemical mechanisms | \n \n 1. Negative product coefficients are only allowed for a photochemical species named PAR, common to Carbon Bond based photochemical mechanisms.\n 2. The three photochemical mechanisms released in CMAQ version 5.3.\n \nTo report potential program errors or EBI solver failures, contact Bill Hutzell/USEPA at hutzell.bill@epa.gov\n\n### Example Application.\n\n#### Compile CREATE_EBI ####\n\nAfter copying the bldrun_create_ebi.csh from $CMAQ_HOME/UTIL/create_ebi/scripts to another directory then editing the script to produce a solver for the saprc07tic_ae7i_aq. \n\n```\nbldrun_create_ebi.csh\n```\n\nExecute the script (the screen output can be redirected to a log file.) \n\n\nFirst set of lines send to screen will echo script options and show compilation commands. Upon its execution, create_ebi writes the below lines\nif the execution is successful.\n\n\n \n Value for OUTDIR: /home/hwo/CCTM_git_repository/UTIL/create_ebi/output/ebi_saprc07tic_ae7i_aq-Apr-08-2019-INTEL \n Value for TMPLDIR: /home/hwo/CCTM_git_repository/UTIL/create_ebi/template_RXNSU_OPT \n Value for PAR_NEG_FLAG: F returning FALSE \n Value for DEGRADE_SUBS: F returning FALSE \n Value for SOLVER_DELT: 1.250E+00 \n Value for MECH_NO2: NO2 \n Value for MECH_NO: NO \n Value for MECH_O3: O3 \n Value for MECH_O1D: O1D \n Value for MECH_O3P: O3P \n Value for MECH_OH: OH \n Value for MECH_HO2: HO2 \n Value for MECH_HONO: HONO \n Value for MECH_HNO4: HNO4 \n Value for MECH_PAN: PAN \n Value for MECH_C2O3: MECO3 \n Value for MECH_NO3: NO3 \n Value for MECH_N2O5: N2O5 \n\n\n Group species mapping results:\n nitric oxide (NO): NO\n nitrogen dioxide (NO2): NO2\n ozone (O3): O3\n ground state atomic oxygen (O3P): O3P\n excited atomic oxygen (O1D): O1D\n hydroxyl radical (OH): OH\n hydroperoxy radical (HO2): HO2\n nitrous acid (HONO): HONO\n peroxynitric acid (HNO4): HNO4\n nitrate radical (NO3): NO3\n nitrogen pentoxide (N2O5): N2O5\n peroxy acetyl radical (C2O3): MECO3\n peroxy acetyl nitrate (PAN): PAN\n\n\n Checking mechanism for EBI solver requirements.\n\n No mechanism requirement problems detected - continuing. \n Found O1D destruction in reaction # 20 \n Found O1D destruction in reaction # 21 \n Found OH production via O1D in reaction # 20 \n No HO2 production via O1D found \n\n The following 10 output files were created: \n hrdriver.F \n hrsolver.F \n hrdata_mod.F \n hrinit.F \n hrg1.F \n hrg2.F \n hrg3.F \n hrg4.F \n hrprodloss.F \n hrrates.F \n Program CR_EBI_SOLVER completed successfully\n\n\n### Input and Output files\n\nTo create an EBI solver for a photochemical mechanism to be used in the CMAQ model, a user needs the Fortran data module describing the photochemical mechanism. The chemmech utility produces the module based on a mechanism definitions file and species namelist files. For more information, consult the README under ${CMAQ_REPO}/UTIL/chemmech.\n\n**Table 4. CREATE_EBI input files**\n\n|**File Name**|**Format**|**Description**|\n|----------------------------------|----------|----------------------------------------------------------|\n|RXNS_DATA_MODULE.F90|ASCII|a Fortran 90 module describing the photochemical mechanism produced by the chemmech utility |\n\n\n#### CREATE_EBI output files\n\nA successful application produces files under a directory defined the environment variable, OUTDIR. Their number depends on run time options (Table 5.) \n\n**Table 5. CREATE_EBI output files**\n\n|File Name|Format|Description|\n|---------------------------------------|---------------|-------------------------------------------------------|\n| hr\\*.F|ASCII | Fortran files for the CCTM EBI chemistry solver|\n| DEGRADE_SETUP_TOX.F1 | ASCII | Fortran module that calculates exponent decay for a set of toxic air pollutants |\n| init_degrade.F1 | ASCII | Fortran code that initializes arrays in DEGRADE_SETUP_TOX.F |\n| degrade_data.F1 | ASCII | Fortran code that lists the set of toxic pollutants and their photochemical loss processes |\n| find_degrade.F1 | ASCII | Fortran code that search for the toxic pollutants in species namelists |\n| degrade.F1 | ASCII | Fortran code that calculated the exponental decay for the toxic pollutants |\n| final_degrade.F1 | ASCII | Fortran code that updates CGRID array |\n\n1. Produced if DEGRADE_SUBS equals T.\n\nCompiling a version of the CMAQ model using this photochemical mechanism and its EBI solver. A user has two options. \n\n 1. update the source code ( _the two photochemical reaction modules produced by CHEMMECH and EBI solver files_) and Makefile in an existing CMAQ build directory. \n 2. Add the new mechanism and solver files to their CMAQ repository then use the cctm build-it script to build the CMAQ CCTM model. \n \nThe latter option is more complicated because it creates subdirectories under `$CMAQ_HOME/CCTM/src/MECHS` and `$CMAQ_HOME/CCTM/src/gas` and involve files not produced by the user and other utilities. \n\n\n## References.\n\nHertel O., Berkowicz R., Christensen J., and Hov O. (1993). Test of Two Numerical Schemes for Use in Atmospheric Transport-Chemistry Models. Atmospheric Environment, Vol. 27A, No. 16, 2591-2661.\n" }, { "path": "UTIL/create_ebi/docs/README.txt", "content": "# CMAQ.Create_EBI_Solver\nData, runscript, and FORTRAN code that CMAQ v51 EBI Solver\n\nTo create a new EBI solver:\n\n1) Copy scripts/bldrun.create_ebi into its parent directory\n\n2) Modify makefile.v50XX for the compilers and their flags on your \ncomputer platform, IF NECESSARY.\n\n3) Change the copy of bldrun.create_ebi for your application.\n\n3) Execute the script. Inputs and reference outputs are provided.\n\nTo report potential program errors or EBI solver failures, contact Bill\nHutzell/USEPA at hutzell.bill@epa.gov.\n" }, { "path": "UTIL/create_ebi/scripts/bldrun_create_ebi.csh", "content": "#! /bin/csh -f\n\n# ============ CREATE_EBI_SOLVERv5.5.x Build Script ================= #\n# Usage: bldrun_create_ebi.csh [compiler] >&! bldrun_create_ebi.log #\n# Options for [compiler]: intel | gcc | pgi #\n# #\n# To report problems or request help with this script/program: #\n# http://www.cmascenter.org #\n# =================================================================== #\n\n# =======================================================================\n#> Preliminary error checking and environment configuration\n# =======================================================================\n\n#> Check that the host system is Linux-based\n set BLD_OS = `uname -s` \n if ($BLD_OS != 'Linux') then\n echo \" $BLD_OS -> wrong bldit script for host!\"\n exit 1\n endif\n\n#> Set Compiler Identity by User Input: Options -> intel | pgi | gcc\n if ( $#argv == 1 ) then\n setenv compiler $argv[1]\n setenv compilerVrsn Empty\n else if ( $#argv == 2 ) then\n #> Compiler Name and Version have been provided\n setenv compiler $1\n setenv compilerVrsn $2\n else\n setenv compiler intel\n setenv compilerVrsn Empty\n echo \"compiler and version not set\"\n echo \"usage: $0 \"\n echo \"setting compiler to intel\"\n endif\n\n#> Source the config.cmaq file to set the build environment\n if( -e ../../../config_cmaq.csh )then\n cd ../../..\n source ./config_cmaq.csh\n else\n#work offline from CMAQ repository and build environment\n setenv offline \"Y\"\n echo ${offline}\n setenv compilerString ${compiler}\n setenv CMAQ_HOME $cwd/..\n endif\n echo ${CMAQ_HOME}\n\n#> Source Code Repository\n if( ! ( $?offline ) )then\n setenv REPOROOT ${CMAQ_REPO}/UTIL/create_ebi #> location of the source code for CHEMMECH\n else\n setenv REPOROOT ${CMAQ_HOME}\n endif\n\n#===============================================================================\n#> Begin User Input Section \n#===============================================================================\n\n#> User choices: working directory and application ID\n if ( ! $?MECH ) then\n set MECH = 'cb6r5m_ae7_aq'\n endif\n setenv CLEAR \"TRUE\" #> over-write existing output files\n\n#> Set working, input and output directories\n if( ! ( $?offline ) )then\n set WORKDIR = ${CMAQ_HOME}/UTIL/create_ebi\n else\n set WORKDIR = ${CMAQ_HOME}\n endif\n if ( ! $?INPDIR ) then\n setenv INPDIR ${WORKDIR}/input/${MECH}\n endif\n if ( ! $?OUTDIR ) then\n setenv OUTDIR ${WORKDIR}/output/ebi_${MECH}\n endif \n\n set VRSN = v55 #> model version\n setenv EXEC CREATE_EBI_${VRSN}.exe #> executable name for this application\n setenv BLDIR ${WORKDIR}/scripts/BLD_create_ebi_${VRSN}_${compilerString}\n\n#============================================================================================\n#> Set locations for source code and templates\n#============================================================================================\n\n setenv SRCDIR ${BLDIR}\n setenv TMPLDIR ${REPOROOT}/template_RXNSU_OPT\n set data_paths = ( ${TMPLDIR} )\n foreach data_dir ( ${data_paths} )\n if( ! ( -e ${data_dir} ) )cp -r $data_dir ${WORKDIR}/.\n end\n\n# Define environment variable for path to data module for photochemical mechanism\n# RXNS_DATA is the input directory containing the mechanism's data module\n# value will change based on user's goals. If the file is not found, this script\n# will check the output for CHEMMECH, and then check the CMAQ_REPO. If it is in \n# neither of those places, the script aborts.\n setenv RXNS_DATA_SRC ${INPDIR}/RXNS_DATA_MODULE.F90\n\n if ( ! -e ${RXNS_DATA_SRC} ) then\n echo 'Below RXNS_DATA_MODULE input file does not exist'\n echo ${RXNS_DATA_SRC}\n exit 1\n endif\n#============================================================================================\n#> Copy CREATE_EBI Source Code into new build folder and compile\n#============================================================================================\n \n if ( -e \"$BLDIR\" ) then\n echo \" *** build directory exist, deleting it***\"\n \\rm -rf $BLDIR\n endif\n mkdir -pv $BLDIR\n \n cp ${REPOROOT}/src/* ${BLDIR}/.\n cd ${BLDIR}; make clean; make \n if( ! ( -e ${EXEC} ) )then\n echo \"failed to compile ${BLDIR}/${EXEC}\"\n exit 1\n endif\n\n\n#============================================================================================\n#> Confiugre options for running CREATE_EBI\n#============================================================================================\n\n#Set options for the photochemical mechanism\n setenv DEGRADE_SUBS T # include calls for HAPs degrade routines \n\n \n#Set the below compound names within the mechanism\n if ( ${MECH} =~ *\"cb\"* || ${MECH} =~ *\"CB\"* ) then\n setenv PAR_NEG_FLAG T # True for CB6 but false for SAPRC07t and RACM2 \n if ( ${MECH} =~ *\"cb6r3m\"* || ${MECH} =~ *\"CB6R3M\"* ) then\n setenv SOLVER_DELT 1.25 # maximum time step (minutes) of solver integration up to four \n # significant figures in general or scientific notation\n # For cb6r3m recommended.\n else if ( ${MECH} =~ *\"cb6r5m\"* || ${MECH} =~ *\"CB6R5M\"* ) then\n setenv SOLVER_DELT 1.25 # maximum time step (minutes) of solver integration up to four \n # significant figures in general or scientific notation\n # For cb6r5m recommended.\n else\n setenv SOLVER_DELT 2.50 # maximum time step (minutes) of solver integration up to four\n # significant figures in general or scientific notation\n # For saprc07tic based mechanisms, 1.25 minutes is recommended.\n endif\n\n # #Mech # Description\n # cb6r3/cb05 #\n setenv MECH_NO NO # Species name for nitric oxide\n setenv MECH_NO2 NO2 # Species name for nitrogen dioxide\n setenv MECH_O3 O3 # Species name for ozone\n setenv MECH_O3P O # Species name for ground state oxygen atom\n setenv MECH_O1D O1D # Species name for excited state oxygen atom\n setenv MECH_OH OH # Species name for hydroxyl radical\n setenv MECH_HO2 HO2 # Species name for hydroperoxy radical\n setenv MECH_HONO HONO # Species name for nitrous acid\n setenv MECH_HNO4 PNA # Species name for peroxynitric acid\n setenv MECH_PAN PAN # Species name for peroxy acetyl nitrate\n setenv MECH_C2O3 C2O3 # Species name for peroxy acetyl radical\n setenv MECH_NO3 NO3 # Species name for nitrate radical\n setenv MECH_N2O5 N2O5 # Species name for dinitrogen pentoxide\n\n else if ( ${MECH} =~ *\"saprc\"* || ${MECH} =~ *\"SAPRC\"* ) then\n setenv PAR_NEG_FLAG F # True for CB6 but false for SAPRC07t and RACM2 \n if ( ${MECH} =~ *\"saprc07tic\"* || ${MECH} =~ *\"SAPRC07TIC\"* ) then\n setenv SOLVER_DELT 1.25 # maximum time step (minutes) of solver integration up to four \n # significant figures in general or scientific notation\n # For saprc07tic based mechanisms, 1.25 minutes is recommended.\n else\n setenv SOLVER_DELT 2.50 # maximum time step (minutes) of solver integration up to four\n # significant figures in general or scientific notation\n # For saprc07tic based mechanisms, 1.25 minutes is recommended.\n # endif\n endif\n\n # #Mech # Description\n # SAPRC07 #\n setenv MECH_NO NO # Species name for nitric oxide\n setenv MECH_NO2 NO2 # Species name for nitrogen dioxide\n setenv MECH_O3 O3 # Species name for ozone\n setenv MECH_O3P O3P # Species name for ground state oxygen atom\n setenv MECH_O1D O1D # Species name for excited state oxygen atom\n setenv MECH_OH OH # Species name for hydroxyl radical\n setenv MECH_HO2 HO2 # Species name for hydroperoxy radical\n setenv MECH_HONO HONO # Species name for nitrous acid\n setenv MECH_HNO4 HNO4 # Species name for peroxynitric acid\n setenv MECH_PAN PAN # Species name for peroxy acetyl nitrate\n setenv MECH_C2O3 MECO3 # Species name for peroxy acetyl radical\n setenv MECH_NO3 NO3 # Species name for nitrate radical\n setenv MECH_N2O5 N2O5 # Species name for dinitrogen pentoxide \n\n else if ( ${MECH} =~ *\"racm\"* || ${MECH} =~ *\"RACM\"* ) then\n setenv PAR_NEG_FLAG F # True for CB6 but false for SAPRC07t and RACM2 \n setenv SOLVER_DELT 2.50 # maximum time step (minutes) of solver integration up to four \n # significant figures in general or scientific notation\n # For cb6r3m and saprc07tic based mechanisms, 1.25 minutes is recommended.\n\n # #Mech # Description\n # RACM2 #\n setenv MECH_NO NO # Species name for nitric oxide\n setenv MECH_NO2 NO2 # Species name for nitrogen dioxide\n setenv MECH_O3 O3 # Species name for ozone\n setenv MECH_O3P O3P # Species name for ground state oxygen atom\n setenv MECH_O1D O1D # Species name for excited state oxygen atom\n setenv MECH_OH HO # Species name for hydroxyl radical\n setenv MECH_HO2 HO2 # Species name for hydroperoxy radical\n setenv MECH_HONO HONO # Species name for nitrous acid\n setenv MECH_HNO4 HNO4 # Species name for peroxynitric acid\n setenv MECH_PAN PAN # Species name for peroxy acetyl nitrate\n setenv MECH_C2O3 ACO3 # Species name for peroxy acetyl radical\n setenv MECH_NO3 NO3 # Species name for nitrate radical\n setenv MECH_N2O5 N2O5 # Species name for dinitrogen pentoxide \n \n else\n echo 'Undetermined chemical mechanism: the user must include case defining its key species and options.'\n echo 'Please update CREATE_EBI with new case'\n exit 1\n endif\n\n#============================================================================================\n#> Populate Output\n#============================================================================================\n\n # Create Output Directory\n if( -e $OUTDIR ) then\n if( $CLEAR == \"FALSE\" )then\n echo \"Previous output exists; set CLEAR to TRUE to delete\"\n exit(1)\n endif\n echo \"Removing old solver files\"\n /bin/rm -rf ${OUTDIR}\n endif\n mkdir -p $OUTDIR\n \\cp -f ${RXNS_DATA_SRC} $OUTDIR/.\n\n # Run CREATE_EBI.EXE\n $BLDIR/$EXEC\n\n if ( $? != 0 ) then\n echo \"CREATE_EBI ($BLDIR/$EXEC) failed for some reason. Halt Build Process!\"\n exit 1\n endif\n\n" }, { "path": "UTIL/create_ebi/src/ATDSC3.EXT", "content": "\n!.........................................................................\n! Version \"@(#)$Header$\"\n! EDSS/Models-3 I/O API. Copyright (C) 1992-2002 MCNC\n! Distributed under the GNU LESSER GENERAL PUBLIC LICENSE version 2.1\n! See file \"LGPL.txt\" for conditions of use.\n!....................................................................\n! INCLUDE FILE ATDSC3.EXT\n!\n! DO NOT EDIT !!\n!\n! The EDSS/Models-3 I/O API depends in an essential manner\n! upon the contents of this INCLUDE file. ANY CHANGES are\n! likely to result in very obscure, difficult-to-diagnose\n! bugs caused by an inconsistency between standard \"libioapi.a\"\n! object-libraries and whatever code is compiled with the\n! resulting modified INCLUDE-file.\n!\n! By making any changes to this INCLUDE file, the user\n! explicitly agrees that in the case any assistance is \n! required of MCNC or of the I/O API author, Carlie J. Coats, Jr.\n! as a result of such changes, THE USER AND/OR HIS PROJECT OR\n! CONTRACT AGREES TO REIMBURSE MCNC AND/OR THE I/O API AUTHOR,\n! CARLIE J. COATS, JR., AT A RATE TRIPLE THE NORMAL CONTRACT\n! RATE FOR THE SERVICES REQUIRED.\n!\n! CONTAINS: Fortran data structures for a MODELS 3 file description\n! for file type TSRIES3 (timeseries). Based upon FDESC3.EXT.\n! Used to pass data between RDDICT3, WRDICT3, CREATE3, DESC3,\n! and their callers. Common BATTS3 is used to store the\n! non-character-string data, and CATTS3 is used to store\n! the character-string data (recall that FORTRAN 77 prohibits\n! character and non-character data in the same common)\n!\n! SHOULD ONLY BE USED AS A NAME BASED ARGUMENT PASSING MECHANISM;\n! the user should have local variables to/from which this data structure\n! is copied immediately prior to or immediately after calls which set\n! or use these COMMONs, since their values are subject to change at\n! any time by the IOAPI.\n!\n! DEPENDENT UPON: PARMS3.EXT\n!\n! REVISION HISTORY:\n! Prototype 6/1992 by Carlie J. Coats, Jr., MCNC Environmental\n! Programs\n!\n! Modified 6/1996 by CJC to add variable attributes for\n! TSRIES3 file type\n!\n! Modified 2/2002 by CJC for compatibility with both free and\n! fixed Fortran 9x source forms\n!\n! SET BY:\n! DESC3: Everything in ATTDSC3.EXT\n!\n! RDDICT3: FTYPE3D, TSTEP3D, NCOLS3D, NROWS3D, NLAYS3D, NVARS3D,\n! NTHIK3D, GDTYP3D, P_ALP3D, P_BET3D, P_GAM3D,\n! XORIG3D, YORIG3D, XCELL3D, YCELL3D, GDNAM3D,\n! XCENT3D, YCENT3D, VNAME3D, UNITS3D, VDESC3D\n!\n! REFERENCED BY:\n! CREATE3: FTYPE3D, SDATE3D, STIME3D, TSTEP3D, NCOLS3D, NROWS3D,\n! NLAYS3D, NVARS3D, NTHIK3D, GDTYP3D, P_ALP3D, P_BET3D,\n! P_GAM3D, XORIG3D, YORIG3D, XCELL3D, YCELL3D, GDNAM3D,\n! XCENT3D, YCENT3D, VNAME3D, UNITS3D, VDESC3D\n!\n! WRDICT3: FTYPE3D, TSTEP3D, NCOLS3D, NROWS3D, NLAYS3D, NVARS3D,\n! NTHIK3D, GDTYP3D, P_ALP3D, P_BET3D, P_GAM3D, XORIG3D,\n! YORIG3D, XCELL3D, YCELL3D, XCELL3D, YCELL3D, GDNAM3D, \n! VNAME3D, UNITS3D, VDESC3D\n!\n!....................................................................\n!\n \n! VARIABLE ATTRIBUTES\n\n CHARACTER*16 ATNAM3D( MXATTS3, MXVARS3) ! variable attrib. name\n REAL FATTS3D( MXATTS3, MXVARS3 ) ! var. att. value (real)\n INTEGER NATTS3D( MXVARS3 ) ! no. of var. atts used\n ! in addition to long_name, units, var_desc\n\n\n !!non-character per-variable attribute data\n\n COMMON / BATTS3 /\n &\n & NATTS3D, FATTS3D\n \n \n !! character-string per-variable attribute data\n\n COMMON / CATTS3 /\n &\n & ATNAM3D\n \n!................ end ATDSC3.EXT ....................................\n\n" }, { "path": "UTIL/create_ebi/src/CONST3.EXT", "content": "\n!.........................................................................\n! Version \"@(#)$Header: /env/proj/archive/cvs/ioapi/./ioapi/src/CONST3.EXT,v 1.7 2001/01/03 20:14:33 coats Exp $\"\n! EDSS/Models-3 I/O API. Portions copyright (C) 1992-1997 MCNC\n! See file \"COPYRIGHT.txt\" for conditions of use.\n!.........................................................................\n\n!....................................................................\n! INCLUDE FILE CONST3.EXT\n!\n! CONTAINS: \n! Physical and mathematical constants\n!\n! REVISION HISTORY:\n!\n! Adapted 6/1992 by Carlie J. Coats, Jr., MCNC Environmental Programs,\n! from ROM's PI.EXT.\n!\n! Revised 3/1/1993 John McHenry to include constants needed by\n! LCM aqueous chemistry\n!\n! Revised 9/1993 by John McHenry to include additional constants\n! needed for FMEM clouds and aqueous chemistry\n\n! Modified 2/2002 by CJC for compatibility with both free and\n! fixed Fortran 9x source forms\n!....................................................................\n\n!....... Mathematical Constants\n\n REAL PI ! PI (single precision 3.14159...)\n REAL TWOPI ! 2 * PI\n REAL PI6 ! degrees-to-radians: PI/6\n REAL PI180 ! degrees-to-radians: PI/180\n REAL RPI180 ! radians-to-degrees: 180/PI\n REAL AMISS ! standard missing value -9999.9\n REAL EPSILON ! \"standard\" small number\n\n PARAMETER (\n & PI = 3.14159265358979324 ,\n & TWOPI = 6.28318530717958649 ,\n & PI6 = PI / 6.0 , \n & PI180 = PI / 180.0 ,\n & RPI180 = 180.0 / PI ,\n & AMISS = -9999.9 ,\n & EPSILON = 1.0E-10 )\n\n\n!....... Physical Constants\n\n REAL REARTH ! radius of the earth (meters)\n REAL DG2M ! latitude degrees to meters\n REAL DG2MSQ ! DG2M ** 2\n REAL DG2KM ! latitude degrees to kilometers\n REAL D2KMSQ ! DG2KM ** 2\n REAL SIDAY ! length of a sidereal day (seconds)\n REAL SIYEAR ! length of a sidereal year (days)\n REAL TRYEAR ! length of a tropical year (days)\n REAL EOMEGA ! Earth's angular velocity (radians/sec)\n REAL GRAV ! mean gravitational acceleration (m/sec**2)\n REAL RDGAS ! dry-air gas constant (J/g-deg.K)\n REAL RCHGAS ! gas constant in chemical units (L-atm/mole-K)\n REAL RWVP ! gas constant for water vapor (J/g-deg.K)\n REAL HWVP ! latent heat of vaporization of water at 0 C (J/g)\n REAL EWVP0 ! ref saturation vapor press of water at temp TWVP0\n REAL TWVP0 ! base temp. for vapor pressure calculations (deg.K)\n REAL CTOK ! conversion constant from deg.C to deg.K\n REAL SI2PPM ! conversion constant from mu-g/m**3 to PPM\n REAL PPM2SI ! conversion constant from PPM to mu-g/m**3\n REAL\t VP0 ! vapor press of water at 0 C (cb)\n REAL LV ! latent heat of vaporization of water at 0 C (J/kg)\n REAL LF ! latent heat of fusion of water at 0 C (J/kg)\n REAL CP ! specific heat of air at const press (J/kg-deg K)\n REAL RDCP ! RDGAS * CP\n REAL DALR ! dry adiabatic lapse rate (deg K/m)\n REAL GOVRD ! ratio of grav const to dry gas const GRAV/RDGAS\n REAL RDOVG ! RDGAS/GRAV\n REAL ROVCP ! ratio of dry gas const to specific heat const\n REAL LVOCP ! ratio of latent heat of vap to specific heat const\n REAL AVO ! Avogadro's Constant (number per mole)\n REAL BOLTZ ! Boltzmann's Constant (erg/K) \n REAL STDATMCB ! standard atmosphere in centibars\n REAL STDATMMB ! standard atmosphere in millibars\n\n PARAMETER (\n & REARTH = 6367333.0 , DG2M = REARTH * PI180 ,\n & DG2MSQ = DG2M * DG2M , DG2KM = 1.0E-3 * DG2M ,\n & D2KMSQ = DG2KM * DG2KM , SIDAY = 86164.09 ,\n & SIYEAR = 365.256363 , TRYEAR = 365.242190 ,\n & EOMEGA = TWOPI / SIDAY , GRAV = 9.80665 ,\n & RDGAS = 287.0406 , RWVP = 0.4615 ,\n & HWVP = 2500.0 , EWVP0 = 40.0 ,\n & TWVP0 = 302.0 , CTOK = 273.15 ,\n & SI2PPM = 0.0245 , PPM2SI = 1.0 / SI2PPM ,\n & CP = 1004.6 , VP0 = 0.6112 ,\n & LF = 3.34E+5 , RCHGAS = 0.082057 ,\n & LV = HWVP * 1.0E+3 , RDCP = RDGAS * CP ,\n & DALR = GRAV / CP , GOVRD = GRAV / RDGAS ,\n & RDOVG = RDGAS / GRAV , ROVCP = RDGAS / CP ,\n & LVOCP = LV / CP , AVO = 6.02257E23 ,\n & BOLTZ = 1.38E-16 , STDATMCB = 101.325 ,\n & STDATMMB = 0.1 * STDATMCB )\n\n\n!....... Molecular Weight and Bulk Density Constants\n\n REAL\t MWAIR ! mean molecular weight for air\n REAL\t MWWAT ! mean molecular weight for water\n REAL\t MWH2O2 ! mean molecular weight for H2O2\n REAL\t MWNACL ! mean molecular weight for NaCl\n REAL\t MWCL ! mean atomic weight for Cl\n REAL\t MWNH3 ! mean molecular weight for NH3\n REAL\t MWNH4 ! mean ionic weight for NH4\n REAL\t MWNO3 ! mean ionic weight for NO3\n REAL\t MWHNO3 ! mean molecular weight for HNO3\n REAL\t MWORG ! mean molecular weight for lumped organics\n REAL\t MWSO2 ! mean molecular weight for SO2\n REAL\t MWSO4 ! mean ionic weight for SO4\n REAL\t MWH2SO4 ! mean molecular weight for H2SO4\n\n REAL MVOMA ! ratio of mol wt of water vapor to mol wt of air\n REAL SO4TOAIR ! mol wt so4 / mol wt air\n REAL NH3TOAIR ! mol wt nh3 / mol wt air\n REAL NH4TOSO4 ! mol wt nh4 / mol wt so4\n \n REAL RHOSO4 ! bulk density of aerosol sulfate (g/cm^3)\n REAL RHONH4 ! bulk density of aerosol ammonium (g/cm^3)\n REAL RHOH2O ! bulk density of aerosol water (g/cm^3)\n\n\n PARAMETER (\n & MWAIR = 28.9644 , MWWAT = 18.0153 ,\n & MWH2O2 = 34.0 , MWNACL = 58.44277 ,\n & MWCL = 35.453 , MWNH3 = 17.03061 ,\n & MWNH4 = 18.03858 , MWNO3 = 62.0049 ,\n & MWHNO3 = 63.01287 , MWORG = 16.0 ,\n & MWSO2 = 64.0 , MWSO4 = 96.0576 ,\n & MWH2SO4 = 98.07354 , MVOMA = MWWAT / MWAIR ,\n & SO4TOAIR = MWSO4 / MWAIR , NH3TOAIR = MWNH3 / MWAIR ,\n & NH4TOSO4 = MWNH4 / MWSO4 , RHOSO4 = 1.8 ,\n & RHONH4 = 1.8 , RHOH2O = 1.0 )\n \n!................ end CONST3.EXT ....................................\n" }, { "path": "UTIL/create_ebi/src/FDESC3.EXT", "content": "\n!.........................................................................\n! Version \"@(#)$Header$\"\n! EDSS/Models-3 I/O API. Copyright (C) 1992-2002 MCNC\n! Distributed under the GNU LESSER GENERAL PUBLIC LICENSE version 2.1\n! See file \"LGPL.txt\" for conditions of use.\n!....................................................................\n! INCLUDE FILE FDESC3.EXT\n!\n! DO NOT EDIT !!\n!\n! The EDSS/Models-3 I/O API depends in an essential manner\n! upon the contents of this INCLUDE file. ANY CHANGES are\n! likely to result in very obscure, difficult-to-diagnose\n! bugs caused by an inconsistency between standard \"libioapi.a\"\n! object-libraries and whatever code is compiled with the\n! resulting modified INCLUDE-file.\n!\n! By making any changes to this INCLUDE file, the user\n! explicitly agrees that in the case any assistance is \n! required of MCNC or of the I/O API author, Carlie J. Coats, Jr.\n! as a result of such changes, THE USER AND/OR HIS PROJECT OR\n! CONTRACT AGREES TO REIMBURSE MCNC AND/OR THE I/O API AUTHOR,\n! CARLIE J. COATS, JR., AT A RATE TRIPLE THE NORMAL CONTRACT\n! RATE FOR THE SERVICES REQUIRED.\n!\n! CONTAINS: Fortran data structures for a MODELS 3 file description.\n! Used to pass data between RDDICT3, WRDICT3, OPEN3, DESC3,\n! and their callers. Common BDESC3 is used to store the\n! non-character-string data, and CDESC3 is used to store\n! the character-string data (recall that FORTRAN 77 prohibits\n! character and non-character data in the same common)\n!\n! SHOULD ONLY BE USED AS A NAME BASED ARGUMENT PASSING MECHANISM;\n! the user should have local variables to/from which this data structure\n! is copied immediately prior to or immediately after calls which set\n! or use these COMMONs, since their values are subject to change at\n! any time by the IOAPI.\n!\n! DEPENDENT UPON: PARMS3.EXT\n!\n! REVISION HISTORY:\n! Prototype 5/1991 by CJC\n!\n! Revised 3/1992 by CJC for netCDF FORTRAN implementation of\n! Models-3 I/O\n!\n! Modified 12/1992 by CJC: map-projection descriptive parameters\n! P_ALP, P_BET, P_GAM.\n!\n! Modified 2/2002 by CJC updated dates, license, compatibility with\n! both free and fixed Fortran 9x source forms\n!\n! SET BY:\n! DESC3: Everything in FDESC3.EXT\n!\n! RDDICT3: FTYPE3D, TSTEP3D, NCOLS3D, NROWS3D, NLAYS3D, NVARS3D,\n! NTHIK3D, GDTYP3D, P_ALP3D, P_BET3D, P_GAM3D,\n! XORIG3D, YORIG3D, XCELL3D, YCELL3D, GDNAM3D,\n! XCENT3D, YCENT3D, VGTYP3D, VGTOP3D, VGLVS3D,\n! VNAME3D, UNITS3D, VDESC3D\n!\n! REFERENCED BY:\n! OPEN3: FTYPE3D, SDATE3D, STIME3D, TSTEP3D, NCOLS3D, NROWS3D,\n! NLAYS3D, NVARS3D, NTHIK3D, GDTYP3D, P_ALP3D, P_BET3D,\n! P_GAM3D, XORIG3D, YORIG3D, XCELL3D, YCELL3D, GDNAM3D,\n! XCENT3D, YCENT3D, VGTYP3D, VGTOP3D, VGLVS3D,\n! VNAME3D, UNITS3D, VDESC3D\n!\n! WRDICT3: FTYPE3D, TSTEP3D, NCOLS3D, NROWS3D, NLAYS3D, NVARS3D,\n! NTHIK3D, GDTYP3D, P_ALP3D, P_BET3D, P_GAM3D, XORIG3D,\n! YORIG3D, XCELL3D, YCELL3D, XCELL3D, YCELL3D, GDNAM3D, \n! VGTYP3D, VGTOP3D, VGLVS3D, VNAME3D, UNITS3D, VDESC3D\n!\n!....................................................................\n\n INTEGER FTYPE3D ! file type\n INTEGER CDATE3D ! creation date YYYYDDD\n INTEGER CTIME3D ! creation time HHMMSS\n INTEGER WDATE3D ! update date YYYYDDD\n INTEGER WTIME3D ! update time HHMMSS\n INTEGER SDATE3D ! file start date YYYYDDD\n INTEGER STIME3D ! file start time HHMMSS\n INTEGER TSTEP3D ! file time step HHMMSS\n INTEGER MXREC3D ! maximum time step record number (1,2,...)\n INTEGER NVARS3D ! number of species\n INTEGER NCOLS3D ! number of grid columns\n INTEGER NROWS3D ! number of grid rows\n INTEGER NLAYS3D ! number of layers\n INTEGER NTHIK3D ! BOUNDARY: perim thickness (cells)\n ! SPARSE MATRIX: number of matrix-cols\n INTEGER GDTYP3D ! grid type: 1=LAT-LON, 2=Lambert, ...\n\n!....... Note that horizontal grid definition information is REAL*8 in order \n!....... to achieve the required precision in geographic-to/from-grid\n!....... coordinate conversions. Meanings of the map projection\n!....... specification parameters P_ALP3D, P_BET3D, P_GAM3D depend\n!....... upon the projection type, as follows:\n!....... \n!....... If P_ALP3D < AMISS3 (=-9E36, from PARMS3.EXT), then\n!....... the grid description is missing or invalid.\n!.......\n!....... lat-lon: unused. Coordinate units are degrees, with\n!....... -180.0 < X <= 180.0, -90.0 <= Y <= 90.0 \n!....... Note that Western hemisphere longitudes are taken \n!....... to be negative.\n!.......\n!....... Lambert PROJ_ALPHA <= PROJ_BETA are the two latitudes which\n!....... determine the projection cone; PROJ_GAMMA is the\n!....... central meridian. Coordinate units are meters.\n!.......\n!....... (General) Mercator PROJ_ALPHA and PROJ_BETA are the\n!....... latitude and longitude of the coordinate origin\n!....... (within the tangent circle);\n!....... PROJ_GAMMA is the angle between the cylinder axis\n!....... and the North polar axis. Coordinate units are meters.\n!.......\n!....... (General Tangent) Stereographic PROJ_ALPHA and PROJ_BETA are\n!....... the latitude and longitude of the point of tangency;\n!....... PROJ_GAMMA is the angle from true North to the Y-axis.\n!....... Coordinate units are meters.\n!....... \n!....... UTM: PROJ_ALPHA is the UTM zone, as a double.\n!....... PROJ_BETA and PROJ_GAMMA are unused.\n!....... Note that for safety, PROJ_ALPHA should be\n!....... *>rounded<* to integer.\n!....... Coordinate units are meters.\n!....... \n!....... (Secant) Polar Stereographic: PROJ_ALPHA is 1 for North Polar\n!....... -1 for South Polar, as a double.\n!....... PROJ_BETA is the secant latitude (latitude of\n!....... true scale).\n!....... PROJ_GAMMA is the Y-axis.\n!....... Note that for safety, PROJ_ALPHA should be\n!....... *>rounded<* to integer.\n!....... Coordinate units are meters.\n!.......\n!....... Transverse Mercator PROJ_ALPHA is the latitude of the origin.\n!....... PROJ_BETA is the scale factor at the central meridian;\n!....... PROJ_GAMMA is the longitude of the central meridian.\n!....... Coordinate units are meters.\n!.......\n!....... Equatorial Mercator PROJ_ALPHA is the latitude of true scale.\n!....... PROJ_BETA is unused.\n!....... PROJ_GAMMA is the longitude of the central meridian.\n!....... Coordinate units are meters.\n!....... \n!....... (XCENT3D,YCENT3D):\n!....... For Lat-Lon: unused.\n!....... For UTM: these are the UTM offsets in meters (UTM coords for\n!....... the origin relative to a UTM system with origin at the equator\n!....... and central metidian of the UTM zone).\n!....... For other projectionss (e.g., Lambert, Mercator, and Stereographic),\n!....... these are the longitude, -180 < X <= 180, and the\n!....... latitude, -90 <= Y <= 90, for the center (0,0) of the\n!....... respective Cartesian coordinate system.\n!....... \n!....... (XORIG3D,YORIG3D) are the location in map units (deg. for lat-lon,\n!....... meters otherwise) of the lower-right corner of the origin (1,1) \n!....... cell of the horizontal grid.\n!....... \n!....... (XCELL3D,YCELL3D) are the X-direction and Y-direction lengths\n!....... ((deg. for lat-lon, meters otherwise) of side for cells in a \n!....... regular grid. If zero, the grid is taken to be an irregular\n!....... grid described by other means (e.g. a grid-geometry file).\n!....... \n!....... VGTYP3D is the vertical grid type token, VGSIGP3 for sigma-P\n!....... coordinates, VGSIGZ3 for sigma-Z, etc., or IMISS3 for vertical\n!....... coordinates not stored in VGLVS3D (e.g., temporally or spatially\n!....... changing vertical coordinates.\n!....... \n!....... VGTOP3D is the model-top used in the definition of the sigma\n!....... coordinate systems (e.g., for hydrostatic sigma-P, the \n!....... relationship between P and sigma is given by the following:\n!....... S = ( P - VGTOP3D ) / (P_ref - VGTOP3D )\n!....... \n!....... VGLVS3D( 1, ..., NLAYS3D+1 ) is the list of vertical coordinate \n!....... values which specify the layers of the file. In principle, \n!....... layer K goes from VGLVS3D( K ) to VGLVS3D( K+1 ).\n\n REAL*8 P_ALP3D ! first, second, third map\n REAL*8 P_BET3D ! projection descriptive\n REAL*8 P_GAM3D ! parameters.\n\n REAL*8 XCENT3D ! lon for coord-system X=0\n REAL*8 YCENT3D ! lat for coord-system Y=0\n REAL*8 XORIG3D ! X-coordinate origin of grid (map units)\n REAL*8 YORIG3D ! Y-coordinate origin of grid\n REAL*8 XCELL3D ! X-coordinate cell dimension\n REAL*8 YCELL3D ! Y-coordinate cell dimension\n\n INTEGER VGTYP3D ! vertical coordinate type (VGSIGP3, ...)\n REAL VGTOP3D ! model-top, for sigma coord types.\n REAL VGLVS3D( MXLAYS3 + 1 ) ! vertical coord values.\n\n CHARACTER*16 GDNAM3D ! grid name (length NAMLEN3=16)\n CHARACTER*16 UPNAM3D ! last program writing to file (NAMLEN3=16)\n CHARACTER*80 EXECN3D ! value of env vble EXECUTION_ID\n\n CHARACTER*80 FDESC3D( MXDESC3 ) ! file description (MXDLEN3=80)\n CHARACTER*80 UPDSC3D( MXDESC3 ) ! update \" (MXDLEN3=80)\n\n INTEGER VTYPE3D( MXVARS3 ) ! variable type: M3(INT|REAL|DBLE)\n CHARACTER*16 VNAME3D( MXVARS3 ) ! variable names (length MXDLEN3=80)\n CHARACTER*16 UNITS3D( MXVARS3 ) ! \" units or 'none' (MXDLEN3=80)\n CHARACTER*80 VDESC3D( MXVARS3 ) ! \" descriptions (MXDLEN3=80)\n\n !! non-character file description data\n COMMON / BDESC3 /\n & P_ALP3D, P_BET3D, P_GAM3D, XCENT3D, YCENT3D,\n & XORIG3D, YORIG3D, XCELL3D, YCELL3D,\n & FTYPE3D, CDATE3D, CTIME3D, WDATE3D, WTIME3D,\n & SDATE3D, STIME3D, TSTEP3D, MXREC3D,\n & NVARS3D, NCOLS3D, NROWS3D, NLAYS3D, NTHIK3D,\n & GDTYP3D, VGTYP3D, VGTOP3D, VGLVS3D, VTYPE3D\n\n !! character-string file description data\n\n COMMON / CDESC3 /\n & GDNAM3D, UPNAM3D, EXECN3D, FDESC3D, UPDSC3D,\n & VNAME3D, UNITS3D, VDESC3D\n\n!................ end FDESC3D.EXT ....................................\n\n" }, { "path": "UTIL/create_ebi/src/IODECL3.EXT", "content": "\n!.........................................................................\n! Version \"@(#)$Header$\"\n! EDSS/Models-3 I/O API. Copyright (C) 1992-2002 MCNC\n! Distributed under the GNU LESSER GENERAL PUBLIC LICENSE version 2.1\n! See file \"LGPL.txt\" for conditions of use.\n!....................................................................\n! INCLUDE FILE IODECL3.EXT\n!\n!\n! DO NOT EDIT !!\n!\n! The EDSS/Models-3 I/O API depends in an essential manner\n! upon the contents of this INCLUDE file. ANY CHANGES are\n! likely to result in very obscure, difficult-to-diagnose\n! bugs caused by an inconsistency between standard \"libioapi.a\"\n! object-libraries and whatever code is compiled with the\n! resulting modified INCLUDE-file.\n!\n! By making any changes to this INCLUDE file, the user\n! explicitly agrees that in the case any assistance is \n! required of MCNC or of the I/O API author, Carlie J. Coats, Jr.\n! as a result of such changes, THE USER AND/OR HIS PROJECT OR\n! CONTRACT AGREES TO REIMBURSE MCNC AND/OR THE I/O API AUTHOR,\n! CARLIE J. COATS, JR., AT A RATE TRIPLE THE NORMAL CONTRACT\n! RATE FOR THE SERVICES REQUIRED.\n!\n! CONTAINS: declarations and usage comments for the Models-3 (M3)\n! Interprocess Communication Applications Programming\n! Interface (API)\n!\n! DEPENDENT UPON: consistency with the API itself.\n!\n! RELATED FILES: PARM3.EXT, FDESC3.EXT\n!\n! REVISION HISTORY:\n! prototype 3/1992 by Carlie J. Coats, Jr., MCNC Environmental\n! Programs\n!\n! Modified 2/2002 by CJC: updated dates, license, compatibility\n! with both free and fixed Fortran 9x source forms\n!\n!....................................................................\n\n LOGICAL CHECK3 ! is JDATE:JTIME available for FNAME?\n LOGICAL CLOSE3 ! close FNAME\n LOGICAL DESC3 ! Puts M3 file descriptions into FDESC3.EXT\n LOGICAL FILCHK3 ! check file type and dimensions\n INTEGER INIT3 ! Initializes M3 API and returns unit for log\n LOGICAL SHUT3 ! Shuts down API\n LOGICAL OPEN3 ! opens an M3 file\n LOGICAL READ3 ! read M3 file for variable,layer,timestep\n LOGICAL WRITE3 ! write timestep to M3 file\n LOGICAL XTRACT3 ! extract window from timestep in a M3 file\n LOGICAL INTERP3 ! do time interpolation from a M3 file\n LOGICAL DDTVAR3 ! do time derivative from M3 file\n\n LOGICAL INTERPX ! time interpolation from a window\n ! extraction from an M3 gridded file\n!! LOGICAL PINTERPB ! parallel time interpolation from an\n ! M3 boundary file\n\n LOGICAL INQATT3 ! inquire attributes in M3 file\n LOGICAL RDATT3 ! read numeric attributes by name from M3 file\n LOGICAL WRATT3 ! add new numeric attributes \"\n LOGICAL RDATTC ! read CHAR attributes \"\n LOGICAL WRATTC ! add new CHAR attributes \"\n\n LOGICAL SYNC3 ! flushes file to disk, etc.\n\n EXTERNAL CHECK3 , CLOSE3, DESC3 , FILCHK3, INIT3 ,\n & SHUT3 , OPEN3 , READ3 , WRITE3 , XTRACT3,\n & INTERP3, DDTVAR3, INQATT3, RDATT3 , WRATT3 ,\n & RDATTC , WRATTC, SYNC3, INTERPX ! , PINTERPB\n\n!.......................................................................\n!.................. API FUNCTION USAGE AND EXAMPLES ..................\n!.......\n!....... In the examples below, names (FILENAME, PROGNAME, VARNAME)\n!....... should be CHARACTER*16, STATUS and RDFLAG are LOGICAL, dates\n!....... are INTEGER, coding the Julian date as YYYYDDD, times are\n!....... INTEGER, coding the time as HHMMSS, and LOGDEV is the FORTRAN\n!....... INTEGER unit number for the program's log file; and layer,\n!....... row, and column specifications use INTEGER FORTRAN array\n!....... index conventions (in particular, they are based at 1, not\n!....... based at 0, as in C).\n!....... Parameter values for \"ALL...\", for grid and file type IDs,\n!....... and for API dimensioning values are given in PARMS3.EXT;\n!....... file descriptions are passed via commons BDESC3 and CDESC3\n!....... in file FDESC3.EXT.\n!.......\n!....... CHECK3(): check whether timestep JDATE:JTIME is available \n!....... for variable VNAME in file FILENAME.\n!....... FORTRAN usage is:\n!.......\n!....... STATUS = CHECK3 ( FILENAME, VNAME, JDATE, JTIME )\n!....... IF ( .NOT. STATUS ) THEN\n!....... ... (data-record not available in file FNAME)\n!....... END IF\n!.......\n!....... CLOSE3(): check whether timestep JDATE:JTIME is available \n!....... for variable VNAME in file FILENAME.\n!....... FORTRAN usage is:\n!.......\n!....... STATUS = CLOSE3 ( FILENAME )\n!....... IF ( .NOT. STATUS ) THEN\n!....... ... could not flush file to disk successfully,\n!....... or else file not currently open.\n!....... END IF\n!.......\n!....... DESC3(): return description of file FILENAME to the user\n!....... in commons BDESC3 and CDESC3, file FDESC3.EXT.\n!....... FORTRAN usage is:\n!.......\n!....... STATUS = DESC3 ( FILENAME )\n!....... IF ( .NOT. STATUS ) THEN\n!....... ... (file not yet opened)\n!....... END IF\n!....... ...\n!....... (Now common FDESC3 (file FDESC3.EXT) contains the descriptive\n!....... information for this file.)\n!.......\n!....... FILCHK3(): check whether file type and dimensions for file \n!....... FILENAME match the type and dimensions supplied by the user.\n!....... FORTRAN usage is:\n!.......\n!....... STATUS = FILCHK3 ( FILENAME, FTYPE, NCOLS, NROWS, NLAYS, NTHIK )\n!....... IF ( .NOT. STATUS ) THEN\n!....... ... (file type and dimensions do not match\n!....... the supplied FTYPE, NCOLS, NROWS, NLAYS, NTHIK)\n!....... END IF\n!....... ...\n!.......\n!....... INIT3(): set up the M3 API, open the program's log file, and\n!....... return the unit FORTRAN number for log file. May be called\n!....... multiple times (in which case, it always returns the log-file's\n!....... unit number). Note that block data INITBLK3.FOR must also be\n!....... linked in.\n!....... FORTRAN usage is:\n!.......\n!....... LOGDEV = INIT3 ( )\n!....... IF ( LOGDEV .LT. 0 ) THEN\n!....... ... (can't proceed: probably can't open the log.\n!....... Stop the program)\n!....... END IF\n!.......\n!....... OPEN3(): open file FILENAME from program PROGNAME, with\n!....... requested read-write/old-new status. For files opened for WRITE,\n!....... record program-name and other history info in their headers.\n!....... May be called multiple times for the same file (in which case,\n!....... it returns true unless the request is for READ-WRITE status\n!....... for a file already opened READ-ONLY). Legal statuses are:\n!....... FSREAD3: \"old read-only\"\n!....... FSRDWR3: \"old read-write\"\n!....... FSNEW3: \"new (read-write)\"\n!....... FSUNKN3: \"unknown (read_write)\"\n!....... FORTRAN usage is:\n!.......\n!....... STATUS = OPEN3 ( FILENAME, FSTATUS, PROGNAME )\n!....... IF ( .NOT. STATUS ) THEN\n!....... ... (process the error)\n!....... END IF\n!.......\n!....... READ3(): read data from FILENAME for timestep JDATE:JTIME,\n!....... variable VNAME, layer LAY, into location ARRAY.\n!....... If VNAME==ALLVARS3=='ALL ', reads all variables;\n!....... if LAY==ALLAYS3==-1, reads all layers.\n!....... Offers random access to the data by filename, date&time, variable,\n!....... and layer. For DICTIONARY files, logical name for file being\n!....... requested maps into the VNAME argument. For time-independent\n!....... files (including DICTIONARY files), JDATE and JTIME are ignored.\n!....... FORTRAN usage is:\n!.......\n!....... STATUS = READ3 ( FILENAME, VNAME, LAY, JDATE, JTIME, ARRAY )\n!....... IF ( .NOT. STATUS ) THEN\n!....... ... (read failed -- process this error.)\n!....... END IF\n!.......\n!....... SHUT3(): Flushes and closes down all M3 files currently open.\n!....... Must be called before program termination; if it returns FALSE\n!....... the run must be considered suspect.\n!....... FORTRAN usage is:\n!.......\n!....... STATUS = SHUT3 ( )\n!....... IF ( .NOT. STATUS ) THEN\n!....... ... (Flush of files to disk probably didn't work;\n!....... look at netCDF error messages)\n!....... END IF\n!.......\n!....... WRITE3(): write data from ARRAY to file FILENAME for timestep\n!....... JDATE:JTIME. For GRIDDED, BUONDARY, and CUSTOM files, VNAME\n!....... must be a variable found in the file, or else ALLVARS3=='ALL'\n!....... to write all variables from ARRAY. For other file types,\n!....... VNAME _must_ be ALLVARS3.\n!....... FORTRAN usage is:\n!.......\n!....... STATUS = WRITE3 ( FILENAME, VNAME, JDATE, JTIME, ARRAY )\n!....... IF ( .NOT. STATUS ) THEN\n!....... ... (write failed -- process this error.)\n!....... END IF\n!.......\n!....... XTRACT3(): read/extract gridded data into location ARRAY\n!....... from FILENAME for time step JDATE:JTIME, variable VNAME\n!....... and the data window defined by\n!....... LOLAY <= layer <= HILAY,\n!....... LOROW <= row <= HIROW,\n!....... LOCOL <= column <= HICOL\n!....... FORTRAN usage is:\n!.......\n!....... STATUS = XTRACT3 ( FILENAME, VNAME,\n!....... & LOLAY, HILAY,\n!....... & LOROW, HIROW,\n!....... & LOCOL, HICOL,\n!....... & JDATE, JTIME, ARRAY )\n!....... IF ( .NOT. STATUS ) THEN\n!....... ... (extract failed -- process this error.)\n!....... END IF\n!.......\n!....... INTERP3(): read/interpolate gridded, boundary, or custom data \n!....... into location ARRAY from FILENAME for time JDATE:JTIME, variable \n!....... VNAME, and all layers. Note use of ASIZE = transaction size =\n!....... size of ARRAY, for error-checking.\n!....... FORTRAN usage is:\n!.......\n!....... STATUS = INTERPX ( FILENAME, VNAME, CALLER, JDATE, JTIME,\n!....... & ASIZE, ARRAY )\n!....... IF ( .NOT. STATUS ) THEN\n!....... ... (interpolate failed -- process this error.)\n!....... END IF\n!.......\n!....... INTERPX(): read/interpolate/window gridded, boundary, or custom\n!....... data into location ARRAY from FILENAME for time JDATE:JTIME, \n!....... variable VNAME, and all layers.\n!....... FORTRAN usage is:\n!.......\n!....... STATUS = INTERPX ( FILENAME, VNAME, CALLER, \n!....... & COL0, COL1, ROW0, ROW1, LAY0, LAY1,\n!....... & JDATE, JTIME, ARRAY )\n!....... IF ( .NOT. STATUS ) THEN\n!....... ... (windowed interpolate failed -- process this error.)\n!....... END IF\n!.......\n!....... DDTVAR3(): read and calculate mean time derivative (per second) \n!....... for gridded, boundary, or custom data. Put result into location \n!....... ARRAY from FILENAME for time JDATE:JTIME, variable VNAME, and all \n!....... layers. Note use of ASIZE = transaction size = size of ARRAY, \n!....... for error-checking. Note d/dt( time-independent )==0.0\n!....... FORTRAN usage is:\n!.......\n!....... STATUS = DDTVAR3 ( FILENAME, VNAME, JDATE, JTIME,\n!....... & ASIZE, ARRAY )\n!....... IF ( .NOT. STATUS ) THEN\n!....... ... (operation failed -- process this error.)\n!....... END IF\n!.......\n!....... INQATT(): inquire how many attributes there are for a\n!....... particular file and variable (or for the file globally,\n!....... if the variable-name ALLVAR3 is used)), and what the \n!....... names, types, and array-dimensions of these attributes are.\n!....... FORTRAN usage is:\n!.......\n!....... STATUS = INQATT3( FNAME, VNAME, MXATTS, \n!....... & NATTS, ANAMES, ATYPES, ASIZES )\n!....... IF ( .NOT. STATUS ) THEN\n!....... ... (operation failed -- process this error.)\n!....... END IF\n!....... \n!....... RDATT3(): Reads an INTEGER, REAL, or DOUBLE attribute by name\n!....... for a specified file and variable into a user-specified array.\n!....... If variable name is ALLVAR3, reads the file-global attribute.\n!....... FORTRAN usage is:\n!.......\n!....... STATUS = RDATT3( FNAME, VNAME, ANAME, ATYPE, AMAX,\n!....... & ASIZE, AVAL )\n!....... IF ( .NOT. STATUS ) THEN\n!....... ... (operation failed -- process this error.)\n!....... END IF\n!.......\n!....... WRATT3(): Writes an INTEGER, REAL, or DOUBLE attribute by name\n!....... for a specified file and variable. If variable name is ALLVAR3, \n!....... reads the file-global attribute.\n!.......\n!....... STATUS = WRATT3( FNAME, VNAME, \n!....... & ANAME, ATYPE, AMAX, AVAL )\n!....... IF ( .NOT. STATUS ) THEN\n!....... ... (operation failed -- process this error.)\n!....... END IF\n!....... \n!....... RDATTC(): Reads a CHARACTER string attribute by name\n!....... for a specified file and variable into a user-specified array.\n!....... If variable name is ALLVAR3, reads the file-global attribute.\n!....... FORTRAN usage is:\n!.......\n!....... STATUS = RDATTC( FNAME, VNAME, ANAME, CVAL )\n!....... IF ( .NOT. STATUS ) THEN\n!....... ... (operation failed -- process this error.)\n!....... END IF\n!.......\n!....... WRATT3(): Writes a CHARACTER string attribute by name\n!....... for a specified file and variable. If variable name is ALLVAR3, \n!....... reads the file-global attribute.\n!.......\n!....... STATUS = WRATTC( FNAME, VNAME, ANAME, CVAL )\n!....... IF ( .NOT. STATUS ) THEN\n!....... ... (operation failed -- process this error.)\n!....... END IF\n!.......\n!....... SYNC3(): Synchronize FILENAME with disk (flush output;\n!....... re-read header and invalidate data-buffers for input.\n!....... FORTRAN usage is:\n!.......\n!....... STATUS = SYNC3 ( FILENAME )\n!....... IF ( .NOT. STATUS ) THEN\n!....... ... (file not yet opened, or disk-synch failed)\n!....... END IF\n!....... ...\n!.......\n!................ end IODECL3.EXT ....................................\n\n" }, { "path": "UTIL/create_ebi/src/Makefile", "content": " \nifndef EXEC\n MODEL = CREATE_EBI.EXE\nelse\n MODEL = $(EXEC)\nendif\n\nifndef compiler\n compiler = intel # other options (gcc | pgi )\nendif\n \nifeq ($(compiler),intel)\n\n FC = ifort\n CC = icc\n FPP = $(FC)\n\n F_FLAGS = -fixed -132 -O0 -fno-alias -mp1 -fpe0 -I. -g -CB -CU -traceback\n F90_FLAGS = -free -O0 -fno-alias -mp1 -I. -fpe0 -g -CB -CU -traceback\n f_FLAGS = -fixed -132 -O0 -fno-alias -mp1 -fpe0 -I. -g -CB -CU -traceback\n f90_FLAGS = -free -O0 -fno-alias -mp1 -I. -fpe0 -g -CB -CU -traceback\n C_FLAGS = -O2 -DFLDMN\n \n CPP = $(FPP)\n CPP_FLAGS = \n \n LINK_FLAGS = -static-intel\n\nelse ifeq ($(compiler),pgi)\n\n FC = pgf90\n CC = pgcc\n \n F_FLAGS = -Mfixed -Mextend -Mbounds -Mchkptr -Mchkstk -traceback -Ktrap=fp -O0 -I . -g\n F90_FLAGS = -Mfree -Mbounds -Mchkptr -Mchkstk -traceback -Ktrap=fp -O0 -I . -g\n f90_FLAGS = -Mfree -Mbounds -Mchkptr -Mchkstk -traceback -Ktrap=fp -O0 -I . -g\n f_FLAGS = -Mfixed -Mextend -Mbounds -Mchkfpstk -Mchkptr -Mchkstk -traceback -Ktrap=fp -O0 -I . -g\n C_FLAGS = -O2 -DFLDMN=1\n LINK_FLAGS =\n# LINK_FLAGS = -Bstatic\n# LINK_FLAGS = -Bstatic -Bstatic_pgi\n\nelse ifeq ($(compiler),nvhpc)\n\n FC = nvfortran\n CC = nvc\n \n F_FLAGS = -Mfixed -Mextend -Mbounds -Mchkptr -Mchkstk -traceback -Ktrap=fp -O0 -I . -g\n F90_FLAGS = -Mfree -Mbounds -Mchkptr -Mchkstk -traceback -Ktrap=fp -O0 -I . -g\n f90_FLAGS = -Mfree -Mbounds -Mchkptr -Mchkstk -traceback -Ktrap=fp -O0 -I . -g\n f_FLAGS = -Mfixed -Mextend -Mbounds -Mchkfpstk -Mchkptr -Mchkstk -traceback -Ktrap=fp -O0 -I . -g\n C_FLAGS = -O2 -DFLDMN=1\n# LINK_FLAGS = -Bstatic -Bstatic-nvidia\n\nelse ifeq ($(compiler),gcc)\n\n FC = gfortran\n CC = gcc\n f_FLAGS = -ffixed-form -ffixed-line-length-132 -O0 -funroll-loops -I. -fcheck=all -fbounds-check\n F_FLAGS = $(f_FLAGS)\n f90_FLAGS = -cpp -ffree-form -ffree-line-length-none -O0 -funroll-loops -I. -fcheck=all -fbounds-check\n F90_FLAGS = $(f90_FLAGS)\n C_FLAGS = -O2 -DFLDMN \n LINKER = $(FC)\n LINK_FLAGS = \n\nelse\n ERROR1 = \"Makefile not configured to support the specified compiler, $(compiler). USER MUST USE INTEL, PGF90 or GFORT options or MODIFY makefile.v50XX.\"\nendif\n\nifdef ERROR1\n $(error $(ERROR1))\nendif\n\nLIBS = \n\n LOAD = $(FC) $(F_FLAGS) \n LOAD_F90 = $(FC) $(F90_FLAGS) \n LDFLAGS = $(LINK_FLAGS)\n\n LOAD = $(FC) $(F_FLAGS) \n LOAD_F90 = $(FC) $(F90_FLAGS) \n LDFLAGS = $(LINK_FLAGS)\n\n\nOBJS = module_env_functions.o \\\n module_envvar.o \\\n module_glbldata.o \\\n RXNS_DATA_MODULE.o \\\n junit.o \\\n driver.o \\\n set_glbldata.o \\\n util_subs.o \\\n err_check.o \\\n wr_driver.o \\\n wr_calcks.o \\\n wr_solver.o \\\n wr_init.o \\\n wr_data.o \\\n wr_gp1.o \\\n wr_gp2.o \\\n wr_gp3.o \\\n wr_gp4.o \\\n wr_prodloss.o \\\n wr_rates.o \\\n wr_ssa.o \\\n wr_special.o \\\n wr_copyrt.o \\\n wr_cvshdr.o \\\n \n\n#\n$(MODEL): $(OBJS) \n\t$(LOAD) $(LDFLAGS) -o $(MODEL) $(OBJS) $(LIBS)\n\nRXNS_DATA_MODULE.o: $(RXNS_DATA_SRC)\n\t$(LOAD_F90) -c $(INCLUDES) $(RXNS_DATA_SRC)\n\nmodule_env_functions.o: $(SRCDIR)/module_env_functions.F \n\t$(LOAD) -c $(INCLUDES) $(SRCDIR)/module_env_functions.F\n\nmodule_envvar.o: $(SRCDIR)/module_envvar.F \n\t$(LOAD) -c $(INCLUDES) $(SRCDIR)/module_envvar.F\n\nmodule_glbldata.o: $(SRCDIR)/module_glbldata.F \n\t$(LOAD) -c $(INCLUDES) $(SRCDIR)/module_glbldata.F\n\ndriver.o: $(SRCDIR)/driver.F \n\t$(LOAD) -c $(INCLUDES) $(SRCDIR)/driver.F\n\nset_glbldata.o: $(SRCDIR)/set_glbldata.F \n\t$(LOAD) -c $(INCLUDES) $(SRCDIR)/set_glbldata.F\n\njunit.o: $(SRCDIR)/junit.F\n\t$(LOAD) -c $(INCLUDES) $(SRCDIR)/junit.F\n\nname_index.o: $(SRCDIR)/name_index.f\n\t$(LOAD) -c $(INCLUDES) $(SRCDIR)/name_index.f\n\nutil_subs.o: $(SRCDIR)/util_subs.F \n\t$(LOAD) -c $(INCLUDES) $(SRCDIR)/util_subs.F\n\nerr_check.o: $(SRCDIR)/err_check.F \n\t$(LOAD) -c $(INCLUDES) $(SRCDIR)/err_check.F\n\nwr_driver.o: $(SRCDIR)/wr_driver.F \n\t$(LOAD) -c $(INCLUDES) $(SRCDIR)/wr_driver.F\n\nwr_calcks.o: $(SRCDIR)/wr_calcks.F \n\t$(LOAD) -c $(INCLUDES) $(SRCDIR)/wr_calcks.F\n\nwr_solver.o: $(SRCDIR)/wr_solver.F \n\t$(LOAD) -c $(INCLUDES) $(SRCDIR)/wr_solver.F\n\nwr_data.o: $(SRCDIR)/wr_data.F \n\t$(LOAD) -c $(INCLUDES) $(SRCDIR)/wr_data.F\n\nwr_init.o: $(SRCDIR)/wr_init.F \n\t$(LOAD) -c $(INCLUDES) $(SRCDIR)/wr_init.F\n\nwr_gp1.o: $(SRCDIR)/wr_gp1.F \n\t$(LOAD) -c $(INCLUDES) $(SRCDIR)/wr_gp1.F\n\nwr_gp2.o: $(SRCDIR)/wr_gp2.F \n\t$(LOAD) -c $(INCLUDES) $(SRCDIR)/wr_gp2.F\n\nwr_gp3.o: $(SRCDIR)/wr_gp3.F \n\t$(LOAD) -c $(INCLUDES) $(SRCDIR)/wr_gp3.F\n\nwr_gp4.o: $(SRCDIR)/wr_gp4.F \n\t$(LOAD) -c $(INCLUDES) $(SRCDIR)/wr_gp4.F\n\nwr_prodloss.o: $(SRCDIR)/wr_prodloss.F \n\t$(LOAD) -c $(INCLUDES) $(SRCDIR)/wr_prodloss.F\n\nwr_rates.o: $(SRCDIR)/wr_rates.F \n\t$(LOAD) -c $(INCLUDES) $(SRCDIR)/wr_rates.F\n\nwr_special.o: $(SRCDIR)/wr_special.F \n\t$(LOAD) -c $(INCLUDES) $(SRCDIR)/wr_special.F\n\nwr_ssa.o: $(SRCDIR)/wr_ssa.F \n\t$(LOAD) -c $(INCLUDES) $(SRCDIR)/wr_ssa.F\n\nwr_copyrt.o: $(SRCDIR)/wr_copyrt.F \n\t$(LOAD) -c $(INCLUDES) $(SRCDIR)/wr_copyrt.F\n\nwr_cvshdr.o: $(SRCDIR)/wr_cvshdr.F \n\t$(LOAD) -c $(INCLUDES) $(SRCDIR)/wr_cvshdr.F\n\n" }, { "path": "UTIL/create_ebi/src/NETCDF.EXT", "content": "\n!.........................................................................\n! Version \"@(#)$Header$\"\n! \n! This is netCDF version 3.x \"fortran/netcdf.inc\" but under another\n! INCLUDE-file naming convention. \n! Copyright 1990-2000 University Corporation for Atmospheric Research;\n! see URL http://www.unidata.ucar.edu/packages/netcdf/index.html\n!\n! DO NOT EDIT !!\n!\n! The EDSS/Models-3 I/O API depends in an essential manner\n! upon the contents of this INCLUDE file. ANY CHANGES are\n! likely to result in very obscure, difficult-to-diagnose\n! bugs caused by an inconsistency between standard \"libioapi.a\"\n! object-libraries and whatever code is compiled with the\n! resulting modified INCLUDE-file.\n!\n! By making any changes to this INCLUDE file, the user\n! explicitly agrees that in the case any assistance is \n! required of MCNC or of the I/O API author, Carlie J. Coats, Jr.\n! THE USER AND/OR HIS PROJECT OR CONTRACT AGREES TO REIMBURSE\n! MCNC AND/OR THE I/O API AUTHOR, CARLIE J. COATS, JR., AT A\n! RATE TRIPLE THE NORMAL CONTRACT RATE FOR THE SERVICES\n! REQUIRED.\n!\n!.........................................................................\n!\n! netCDF VERSION 3 FORTRAN INTERFACE:\n!\n! External netCDF data types:\n!\n INTEGER NF_BYTE\n INTEGER NF_INT1\n INTEGER NF_CHAR\n INTEGER NF_SHORT\n INTEGER NF_INT2\n INTEGER NF_INT\n INTEGER NF_FLOAT\n INTEGER NF_REAL\n INTEGER NF_DOUBLE\n\n PARAMETER (NF_BYTE = 1)\n PARAMETER (NF_INT1 = NF_BYTE)\n PARAMETER (NF_CHAR = 2)\n PARAMETER (NF_SHORT = 3)\n PARAMETER (NF_INT2 = NF_SHORT)\n PARAMETER (NF_INT = 4)\n PARAMETER (NF_FLOAT = 5)\n PARAMETER (NF_REAL = NF_FLOAT)\n PARAMETER (NF_DOUBLE = 6)\n\n!\n! Default fill values:\n!\n INTEGER NF_FILL_BYTE\n INTEGER NF_FILL_INT1\n INTEGER NF_FILL_CHAR\n INTEGER NF_FILL_SHORT\n INTEGER NF_FILL_INT2\n INTEGER NF_FILL_INT\n REAL NF_FILL_FLOAT\n REAL NF_FILL_REAL\n DOUBLEPRECISION NF_FILL_DOUBLE\n\n PARAMETER (NF_FILL_BYTE = -127)\n PARAMETER (NF_FILL_INT1 = NF_FILL_BYTE)\n PARAMETER (NF_FILL_CHAR = 0)\n PARAMETER (NF_FILL_SHORT = -32767)\n PARAMETER (NF_FILL_INT2 = NF_FILL_SHORT)\n PARAMETER (NF_FILL_INT = -2147483647)\n PARAMETER (NF_FILL_FLOAT = 9.9692099683868690e+36)\n PARAMETER (NF_FILL_REAL = NF_FILL_FLOAT)\n PARAMETER (NF_FILL_DOUBLE = 9.9692099683868690e+36)\n\n!\n! Mode flags for opening and creating a netCDF dataset:\n!\n INTEGER NF_NOWRITE\n INTEGER NF_WRITE\n INTEGER NF_CLOBBER\n INTEGER NF_NOCLOBBER\n INTEGER NF_FILL\n INTEGER NF_NOFILL\n INTEGER NF_LOCK\n INTEGER NF_SHARE\n\n PARAMETER (NF_NOWRITE = 0)\n PARAMETER (NF_WRITE = 1)\n PARAMETER (NF_CLOBBER = 0)\n PARAMETER (NF_NOCLOBBER = 4)\n PARAMETER (NF_FILL = 0)\n PARAMETER (NF_NOFILL = 256)\n PARAMETER (NF_LOCK = 1024)\n PARAMETER (NF_SHARE = 2048)\n\n!\n! Size argument for defining an unlimited dimension:\n!\n INTEGER NF_UNLIMITED\n PARAMETER (NF_UNLIMITED = 0)\n\n!\n! Global Attribute ID:\n!\n INTEGER NF_GLOBAL\n PARAMETER (NF_GLOBAL = 0)\n\n!\n! Implementation limits:\n!\n INTEGER NF_MAX_DIMS\n INTEGER NF_MAX_ATTRS\n INTEGER NF_MAX_VARS\n INTEGER NF_MAX_NAME\n INTEGER NF_MAX_VAR_DIMS\n\n PARAMETER (NF_MAX_DIMS = 100)\n PARAMETER (NF_MAX_ATTRS = 2000)\n PARAMETER (NF_MAX_VARS = 2000)\n PARAMETER (NF_MAX_NAME = 128)\n PARAMETER (NF_MAX_VAR_DIMS = NF_MAX_DIMS)\n\n!\n! Error codes:\n!\n INTEGER NF_NOERR\n INTEGER NF_EBADID\n INTEGER NF_EEXIST\n INTEGER NF_EINVAL\n INTEGER NF_EPERM\n INTEGER NF_ENOTINDEFINE\n INTEGER NF_EINDEFINE\n INTEGER NF_EINVALCOORDS\n INTEGER NF_EMAXDIMS\n INTEGER NF_ENAMEINUSE\n INTEGER NF_ENOTATT\n INTEGER NF_EMAXATTS\n INTEGER NF_EBADTYPE\n INTEGER NF_EBADDIM\n INTEGER NF_EUNLIMPOS\n INTEGER NF_EMAXVARS\n INTEGER NF_ENOTVAR\n INTEGER NF_EGLOBAL\n INTEGER NF_ENOTNC\n INTEGER NF_ESTS\n INTEGER NF_EMAXNAME\n INTEGER NF_EUNLIMIT\n INTEGER NF_ENORECVARS\n INTEGER NF_ECHAR\n INTEGER NF_EEDGE\n INTEGER NF_ESTRIDE\n INTEGER NF_EBADNAME\n INTEGER NF_ERANGE\n\n PARAMETER (NF_NOERR = 0)\n PARAMETER (NF_EBADID = -33)\n PARAMETER (NF_EEXIST = -35)\n PARAMETER (NF_EINVAL = -36)\n PARAMETER (NF_EPERM = -37)\n PARAMETER (NF_ENOTINDEFINE = -38)\n PARAMETER (NF_EINDEFINE = -39)\n PARAMETER (NF_EINVALCOORDS = -40)\n PARAMETER (NF_EMAXDIMS = -41)\n PARAMETER (NF_ENAMEINUSE = -42)\n PARAMETER (NF_ENOTATT = -43)\n PARAMETER (NF_EMAXATTS = -44)\n PARAMETER (NF_EBADTYPE = -45)\n PARAMETER (NF_EBADDIM = -46)\n PARAMETER (NF_EUNLIMPOS = -47)\n PARAMETER (NF_EMAXVARS = -48)\n PARAMETER (NF_ENOTVAR = -49)\n PARAMETER (NF_EGLOBAL = -50)\n PARAMETER (NF_ENOTNC = -51)\n PARAMETER (NF_ESTS = -52)\n PARAMETER (NF_EMAXNAME = -53)\n PARAMETER (NF_EUNLIMIT = -54)\n PARAMETER (NF_ENORECVARS = -55)\n PARAMETER (NF_ECHAR = -56)\n PARAMETER (NF_EEDGE = -57)\n PARAMETER (NF_ESTRIDE = -58)\n PARAMETER (NF_EBADNAME = -59)\n PARAMETER (NF_ERANGE = -60)\n\n!\n! Error handling modes:\n!\n INTEGER NF_FATAL\n INTEGER NF_VERBOSE\n\n PARAMETER (NF_FATAL = 1)\n PARAMETER (NF_VERBOSE = 2)\n\n!\n! MISCELLANEOUS ROUTINES:\n!\n CHARACTER*80 NF_INQ_LIBVERS\n EXTERNAL NF_INQ_LIBVERS\n\n CHARACTER*80 NF_STRERROR\n! (INTEGER NCERR)\n EXTERNAL NF_STRERROR\n\n LOGICAL NF_ISSYSERR\n! (INTEGER NCERR)\n EXTERNAL NF_ISSYSERR\n\n!\n! CONTROL ROUTINES:\n!\n\n INTEGER NF_CREATE\n! (CHARACTER*(*) PATH,\n! INTEGER CMODE,\n! INTEGER NCID)\n EXTERNAL NF_CREATE\n\n INTEGER NF_OPEN\n! (CHARACTER*(*) PATH,\n! INTEGER MODE,\n! INTEGER NCID)\n EXTERNAL NF_OPEN\n\n INTEGER NF_SET_FILL\n! (INTEGER NCID,\n! INTEGER FILLMODE,\n! INTEGER OLD_MODE)\n EXTERNAL NF_SET_FILL\n\n INTEGER NF_REDEF\n! (INTEGER NCID)\n EXTERNAL NF_REDEF\n\n INTEGER NF_ENDDEF\n! (INTEGER NCID)\n EXTERNAL NF_ENDDEF\n\n INTEGER NF_SYNC\n! (INTEGER NCID)\n EXTERNAL NF_SYNC\n\n INTEGER NF_ABORT\n! (INTEGER NCID)\n EXTERNAL NF_ABORT\n\n INTEGER NF_CLOSE\n! (INTEGER NCID)\n EXTERNAL NF_CLOSE\n\n INTEGER NF_DELETE\n! (CHARACTER*(*) NCID)\n EXTERNAL NF_DELETE\n\n!\n! GENERAL INQUIRY ROUTINES:\n!\n\n INTEGER NF_INQ\n! (INTEGER NCID,\n! INTEGER NDIMS,\n! INTEGER NVARS,\n! INTEGER NGATTS,\n! INTEGER UNLIMDIMID)\n EXTERNAL NF_INQ\n\n INTEGER NF_INQ_NDIMS\n! (INTEGER NCID,\n! INTEGER NDIMS)\n EXTERNAL NF_INQ_NDIMS\n\n INTEGER NF_INQ_NVARS\n! (INTEGER NCID,\n! INTEGER NVARS)\n EXTERNAL NF_INQ_NVARS\n\n INTEGER NF_INQ_NATTS\n! (INTEGER NCID,\n! INTEGER NGATTS)\n EXTERNAL NF_INQ_NATTS\n\n INTEGER NF_INQ_UNLIMDIM\n! (INTEGER NCID,\n! INTEGER UNLIMDIMID)\n EXTERNAL NF_INQ_UNLIMDIM\n\n!\n! DIMENSION ROUTINES:\n!\n\n INTEGER NF_DEF_DIM\n! (INTEGER NCID,\n! CHARACTER(*) NAME,\n! INTEGER LEN,\n! INTEGER DIMID)\n EXTERNAL NF_DEF_DIM\n\n INTEGER NF_INQ_DIMID\n! (INTEGER NCID,\n! CHARACTER(*) NAME,\n! INTEGER DIMID)\n EXTERNAL NF_INQ_DIMID\n\n INTEGER NF_INQ_DIM\n! (INTEGER NCID,\n! INTEGER DIMID,\n! CHARACTER(*) NAME,\n! INTEGER LEN)\n EXTERNAL NF_INQ_DIM\n\n INTEGER NF_INQ_DIMNAME\n! (INTEGER NCID,\n! INTEGER DIMID,\n! CHARACTER(*) NAME)\n EXTERNAL NF_INQ_DIMNAME\n\n INTEGER NF_INQ_DIMLEN\n! (INTEGER NCID,\n! INTEGER DIMID,\n! INTEGER LEN)\n EXTERNAL NF_INQ_DIMLEN\n\n INTEGER NF_RENAME_DIM\n! (INTEGER NCID,\n! INTEGER DIMID,\n! CHARACTER(*) NAME)\n EXTERNAL NF_RENAME_DIM\n\n!\n! GENERAL ATTRIBUTE ROUTINES:\n!\n\n INTEGER NF_INQ_ATT\n! (INTEGER NCID,\n! INTEGER VARID,\n! CHARACTER(*) NAME,\n! INTEGER XTYPE,\n! INTEGER LEN)\n EXTERNAL NF_INQ_ATT\n\n INTEGER NF_INQ_ATTID\n! (INTEGER NCID,\n! INTEGER VARID,\n! CHARACTER(*) NAME,\n! INTEGER ATTNUM)\n EXTERNAL NF_INQ_ATTID\n\n INTEGER NF_INQ_ATTTYPE\n! (INTEGER NCID,\n! INTEGER VARID,\n! CHARACTER(*) NAME,\n! INTEGER XTYPE)\n EXTERNAL NF_INQ_ATTTYPE\n\n INTEGER NF_INQ_ATTLEN\n! (INTEGER NCID,\n! INTEGER VARID,\n! CHARACTER(*) NAME,\n! INTEGER LEN)\n EXTERNAL NF_INQ_ATTLEN\n\n INTEGER NF_INQ_ATTNAME\n! (INTEGER NCID,\n! INTEGER VARID,\n! INTEGER ATTNUM,\n! CHARACTER(*) NAME)\n EXTERNAL NF_INQ_ATTNAME\n\n INTEGER NF_COPY_ATT\n! (INTEGER NCID_IN,\n! INTEGER VARID_IN,\n! CHARACTER(*) NAME,\n! INTEGER NCID_OUT,\n! INTEGER VARID_OUT)\n EXTERNAL NF_COPY_ATT\n\n INTEGER NF_RENAME_ATT\n! (INTEGER NCID,\n! INTEGER VARID,\n! CHARACTER(*) CURNAME,\n! CHARACTER(*) NEWNAME)\n EXTERNAL NF_RENAME_ATT\n\n INTEGER NF_DEL_ATT\n! (INTEGER NCID,\n! INTEGER VARID,\n! CHARACTER(*) NAME)\n EXTERNAL NF_DEL_ATT\n\n!\n! ATTRIBUTE PUT/GET ROUTINES:\n!\n\n INTEGER NF_PUT_ATT_TEXT\n! (INTEGER NCID,\n! INTEGER VARID,\n! CHARACTER(*) NAME,\n! INTEGER LEN,\n! CHARACTER(*) TEXT)\n EXTERNAL NF_PUT_ATT_TEXT\n\n INTEGER NF_GET_ATT_TEXT\n! (INTEGER NCID,\n! INTEGER VARID,\n! CHARACTER(*) NAME,\n! CHARACTER(*) TEXT)\n EXTERNAL NF_GET_ATT_TEXT\n\n INTEGER NF_PUT_ATT_INT1\n! (INTEGER NCID,\n! INTEGER VARID,\n! CHARACTER(*) NAME,\n! INTEGER XTYPE,\n! INTEGER LEN,\n! NF_INT1_T I1VALS(1))\n EXTERNAL NF_PUT_ATT_INT1\n\n INTEGER NF_GET_ATT_INT1\n! (INTEGER NCID,\n! INTEGER VARID,\n! CHARACTER(*) NAME,\n! NF_INT1_T I1VALS(1))\n EXTERNAL NF_GET_ATT_INT1\n\n INTEGER NF_PUT_ATT_INT2\n! (INTEGER NCID,\n! INTEGER VARID,\n! CHARACTER(*) NAME,\n! INTEGER XTYPE,\n! INTEGER LEN,\n! NF_INT2_T I2VALS(1))\n EXTERNAL NF_PUT_ATT_INT2\n\n INTEGER NF_GET_ATT_INT2\n! (INTEGER NCID,\n! INTEGER VARID,\n! CHARACTER(*) NAME,\n! NF_INT2_T I2VALS(1))\n EXTERNAL NF_GET_ATT_INT2\n\n INTEGER NF_PUT_ATT_INT\n! (INTEGER NCID,\n! INTEGER VARID,\n! CHARACTER(*) NAME,\n! INTEGER XTYPE,\n! INTEGER LEN,\n! INTEGER IVALS(1))\n EXTERNAL NF_PUT_ATT_INT\n\n INTEGER NF_GET_ATT_INT\n! (INTEGER NCID,\n! INTEGER VARID,\n! CHARACTER(*) NAME,\n! INTEGER IVALS(1))\n EXTERNAL NF_GET_ATT_INT\n\n INTEGER NF_PUT_ATT_REAL\n! (INTEGER NCID,\n! INTEGER VARID,\n! CHARACTER(*) NAME,\n! INTEGER XTYPE,\n! INTEGER LEN,\n! REAL RVALS(1))\n EXTERNAL NF_PUT_ATT_REAL\n\n INTEGER NF_GET_ATT_REAL\n! (INTEGER NCID,\n! INTEGER VARID,\n! CHARACTER(*) NAME,\n! REAL RVALS(1))\n EXTERNAL NF_GET_ATT_REAL\n\n INTEGER NF_PUT_ATT_DOUBLE\n! (INTEGER NCID,\n! INTEGER VARID,\n! CHARACTER(*) NAME,\n! INTEGER XTYPE,\n! INTEGER LEN,\n! DOUBLE DVALS(1))\n EXTERNAL NF_PUT_ATT_DOUBLE\n\n INTEGER NF_GET_ATT_DOUBLE\n! (INTEGER NCID,\n! INTEGER VARID,\n! CHARACTER(*) NAME,\n! DOUBLE DVALS(1))\n EXTERNAL NF_GET_ATT_DOUBLE\n\n!\n! GENERAL VARIABLE ROUTINES:\n!\n\n INTEGER NF_DEF_VAR\n! (INTEGER NCID,\n! CHARACTER(*) NAME,\n! INTEGER DATATYPE,\n! INTEGER NDIMS,\n! INTEGER DIMIDS(1),\n! INTEGER VARID)\n EXTERNAL NF_DEF_VAR\n\n INTEGER NF_INQ_VAR\n! (INTEGER NCID,\n! INTEGER VARID,\n! CHARACTER(*) NAME,\n! INTEGER DATATYPE,\n! INTEGER NDIMS,\n! INTEGER DIMIDS(1),\n! INTEGER NATTS)\n EXTERNAL NF_INQ_VAR\n\n INTEGER NF_INQ_VARID\n! (INTEGER NCID,\n! CHARACTER(*) NAME,\n! INTEGER VARID)\n EXTERNAL NF_INQ_VARID\n\n INTEGER NF_INQ_VARNAME\n! (INTEGER NCID,\n! INTEGER VARID,\n! CHARACTER(*) NAME)\n EXTERNAL NF_INQ_VARNAME\n\n INTEGER NF_INQ_VARTYPE\n! (INTEGER NCID,\n! INTEGER VARID,\n! INTEGER XTYPE)\n EXTERNAL NF_INQ_VARTYPE\n\n INTEGER NF_INQ_VARNDIMS\n! (INTEGER NCID,\n! INTEGER VARID,\n! INTEGER NDIMS)\n EXTERNAL NF_INQ_VARNDIMS\n\n INTEGER NF_INQ_VARDIMID\n! (INTEGER NCID,\n! INTEGER VARID,\n! INTEGER DIMIDS(1))\n EXTERNAL NF_INQ_VARDIMID\n\n INTEGER NF_INQ_VARNATTS\n! (INTEGER NCID,\n! INTEGER VARID,\n! INTEGER NATTS)\n EXTERNAL NF_INQ_VARNATTS\n\n INTEGER NF_RENAME_VAR\n! (INTEGER NCID,\n! INTEGER VARID,\n! CHARACTER(*) NAME)\n EXTERNAL NF_RENAME_VAR\n\n INTEGER NF_COPY_VAR\n! (INTEGER NCID_IN,\n! INTEGER VARID,\n! INTEGER NCID_OUT)\n EXTERNAL NF_COPY_VAR\n\n!\n! ENTIRE VARIABLE PUT/GET ROUTINES:\n!\n\n INTEGER NF_PUT_VAR_TEXT\n! (INTEGER NCID,\n! INTEGER VARID,\n! CHARACTER(*) TEXT)\n EXTERNAL NF_PUT_VAR_TEXT\n\n INTEGER NF_GET_VAR_TEXT\n! (INTEGER NCID,\n! INTEGER VARID,\n! CHARACTER(*) TEXT)\n EXTERNAL NF_GET_VAR_TEXT\n\n INTEGER NF_PUT_VAR_INT1\n! (INTEGER NCID,\n! INTEGER VARID,\n! NF_INT1_T I1VALS(1))\n EXTERNAL NF_PUT_VAR_INT1\n\n INTEGER NF_GET_VAR_INT1\n! (INTEGER NCID,\n! INTEGER VARID,\n! NF_INT1_T I1VALS(1))\n EXTERNAL NF_GET_VAR_INT1\n\n INTEGER NF_PUT_VAR_INT2\n! (INTEGER NCID,\n! INTEGER VARID,\n! NF_INT2_T I2VALS(1))\n EXTERNAL NF_PUT_VAR_INT2\n\n INTEGER NF_GET_VAR_INT2\n! (INTEGER NCID,\n! INTEGER VARID,\n! NF_INT2_T I2VALS(1))\n EXTERNAL NF_GET_VAR_INT2\n\n INTEGER NF_PUT_VAR_INT\n! (INTEGER NCID,\n! INTEGER VARID,\n! INTEGER IVALS(1))\n EXTERNAL NF_PUT_VAR_INT\n\n INTEGER NF_GET_VAR_INT\n! (INTEGER NCID,\n! INTEGER VARID,\n! INTEGER IVALS(1))\n EXTERNAL NF_GET_VAR_INT\n\n INTEGER NF_PUT_VAR_REAL\n! (INTEGER NCID,\n! INTEGER VARID,\n! REAL RVALS(1))\n EXTERNAL NF_PUT_VAR_REAL\n\n INTEGER NF_GET_VAR_REAL\n! (INTEGER NCID,\n! INTEGER VARID,\n! REAL RVALS(1))\n EXTERNAL NF_GET_VAR_REAL\n\n INTEGER NF_PUT_VAR_DOUBLE\n! (INTEGER NCID,\n! INTEGER VARID,\n! DOUBLEPRECISION DVALS(1))\n EXTERNAL NF_PUT_VAR_DOUBLE\n\n INTEGER NF_GET_VAR_DOUBLE\n! (INTEGER NCID,\n! INTEGER VARID,\n! DOUBLEPRECISION DVALS(1))\n EXTERNAL NF_GET_VAR_DOUBLE\n\n!\n! SINGLE VARIABLE PUT/GET ROUTINES:\n!\n\n INTEGER NF_PUT_VAR1_TEXT\n! (INTEGER NCID,\n! INTEGER VARID,\n! INTEGER INDEX(1),\n! CHARACTER*1 TEXT)\n EXTERNAL NF_PUT_VAR1_TEXT\n\n INTEGER NF_GET_VAR1_TEXT\n! (INTEGER NCID,\n! INTEGER VARID,\n! INTEGER INDEX(1),\n! CHARACTER*1 TEXT)\n EXTERNAL NF_GET_VAR1_TEXT\n\n INTEGER NF_PUT_VAR1_INT1\n! (INTEGER NCID,\n! INTEGER VARID,\n! INTEGER INDEX(1),\n! NF_INT1_T I1VAL)\n EXTERNAL NF_PUT_VAR1_INT1\n\n INTEGER NF_GET_VAR1_INT1\n! (INTEGER NCID,\n! INTEGER VARID,\n! INTEGER INDEX(1),\n! NF_INT1_T I1VAL)\n EXTERNAL NF_GET_VAR1_INT1\n\n INTEGER NF_PUT_VAR1_INT2\n! (INTEGER NCID,\n! INTEGER VARID,\n! INTEGER INDEX(1),\n! NF_INT2_T I2VAL)\n EXTERNAL NF_PUT_VAR1_INT2\n\n INTEGER NF_GET_VAR1_INT2\n! (INTEGER NCID,\n! INTEGER VARID,\n! INTEGER INDEX(1),\n! NF_INT2_T I2VAL)\n EXTERNAL NF_GET_VAR1_INT2\n\n INTEGER NF_PUT_VAR1_INT\n! (INTEGER NCID,\n! INTEGER VARID,\n! INTEGER INDEX(1),\n! INTEGER IVAL)\n EXTERNAL NF_PUT_VAR1_INT\n\n INTEGER NF_GET_VAR1_INT\n! (INTEGER NCID,\n! INTEGER VARID,\n! INTEGER INDEX(1),\n! INTEGER IVAL)\n EXTERNAL NF_GET_VAR1_INT\n\n INTEGER NF_PUT_VAR1_REAL\n! (INTEGER NCID,\n! INTEGER VARID,\n! INTEGER INDEX(1),\n! REAL RVAL)\n EXTERNAL NF_PUT_VAR1_REAL\n\n INTEGER NF_GET_VAR1_REAL\n! (INTEGER NCID,\n! INTEGER VARID,\n! INTEGER INDEX(1),\n! REAL RVAL)\n EXTERNAL NF_GET_VAR1_REAL\n\n INTEGER NF_PUT_VAR1_DOUBLE\n! (INTEGER NCID,\n! INTEGER VARID,\n! INTEGER INDEX(1),\n! DOUBLEPRECISION DVAL)\n EXTERNAL NF_PUT_VAR1_DOUBLE\n\n INTEGER NF_GET_VAR1_DOUBLE\n! (INTEGER NCID,\n! INTEGER VARID,\n! INTEGER INDEX(1),\n! DOUBLEPRECISION DVAL)\n EXTERNAL NF_GET_VAR1_DOUBLE\n\n!\n! VARIABLE ARRAY PUT/GET ROUTINES:\n!\n\n INTEGER NF_PUT_VARA_TEXT\n! (INTEGER NCID,\n! INTEGER VARID,\n! INTEGER START(1),\n! INTEGER COUNT(1),\n! CHARACTER(*) TEXT)\n EXTERNAL NF_PUT_VARA_TEXT\n\n INTEGER NF_GET_VARA_TEXT\n! (INTEGER NCID,\n! INTEGER VARID,\n! INTEGER START(1),\n! INTEGER COUNT(1),\n! CHARACTER(*) TEXT)\n EXTERNAL NF_GET_VARA_TEXT\n\n INTEGER NF_PUT_VARA_INT1\n! (INTEGER NCID,\n! INTEGER VARID,\n! INTEGER START(1),\n! INTEGER COUNT(1),\n! NF_INT1_T I1VALS(1))\n EXTERNAL NF_PUT_VARA_INT1\n\n INTEGER NF_GET_VARA_INT1\n! (INTEGER NCID,\n! INTEGER VARID,\n! INTEGER START(1),\n! INTEGER COUNT(1),\n! NF_INT1_T I1VALS(1))\n EXTERNAL NF_GET_VARA_INT1\n\n INTEGER NF_PUT_VARA_INT2\n! (INTEGER NCID,\n! INTEGER VARID,\n! INTEGER START(1),\n! INTEGER COUNT(1),\n! NF_INT2_T I2VALS(1))\n EXTERNAL NF_PUT_VARA_INT2\n\n INTEGER NF_GET_VARA_INT2\n! (INTEGER NCID,\n! INTEGER VARID,\n! INTEGER START(1),\n! INTEGER COUNT(1),\n! NF_INT2_T I2VALS(1))\n EXTERNAL NF_GET_VARA_INT2\n\n INTEGER NF_PUT_VARA_INT\n! (INTEGER NCID,\n! INTEGER VARID,\n! INTEGER START(1),\n! INTEGER COUNT(1),\n! INTEGER IVALS(1))\n EXTERNAL NF_PUT_VARA_INT\n\n INTEGER NF_GET_VARA_INT\n! (INTEGER NCID,\n! INTEGER VARID,\n! INTEGER START(1),\n! INTEGER COUNT(1),\n! INTEGER IVALS(1))\n EXTERNAL NF_GET_VARA_INT\n\n INTEGER NF_PUT_VARA_REAL\n! (INTEGER NCID,\n! INTEGER VARID,\n! INTEGER START(1),\n! INTEGER COUNT(1),\n! REAL RVALS(1))\n EXTERNAL NF_PUT_VARA_REAL\n\n INTEGER NF_GET_VARA_REAL\n! (INTEGER NCID,\n! INTEGER VARID,\n! INTEGER START(1),\n! INTEGER COUNT(1),\n! REAL RVALS(1))\n EXTERNAL NF_GET_VARA_REAL\n\n INTEGER NF_PUT_VARA_DOUBLE\n! (INTEGER NCID,\n! INTEGER VARID,\n! INTEGER START(1),\n! INTEGER COUNT(1),\n! DOUBLEPRECISION DVALS(1))\n EXTERNAL NF_PUT_VARA_DOUBLE\n\n INTEGER NF_GET_VARA_DOUBLE\n! (INTEGER NCID,\n! INTEGER VARID,\n! INTEGER START(1),\n! INTEGER COUNT(1),\n! DOUBLEPRECISION DVALS(1))\n EXTERNAL NF_GET_VARA_DOUBLE\n\n!\n! STRIDED VARIABLE PUT/GET ROUTINES:\n!\n\n INTEGER NF_PUT_VARS_TEXT\n! (INTEGER NCID,\n! INTEGER VARID,\n! INTEGER START(1),\n! INTEGER COUNT(1),\n! INTEGER STRIDE(1),\n! CHARACTER(*) TEXT)\n EXTERNAL NF_PUT_VARS_TEXT\n\n INTEGER NF_GET_VARS_TEXT\n! (INTEGER NCID,\n! INTEGER VARID,\n! INTEGER START(1),\n! INTEGER COUNT(1),\n! INTEGER STRIDE(1),\n! CHARACTER(*) TEXT)\n EXTERNAL NF_GET_VARS_TEXT\n\n INTEGER NF_PUT_VARS_INT1\n! (INTEGER NCID,\n! INTEGER VARID,\n! INTEGER START(1),\n! INTEGER COUNT(1),\n! INTEGER STRIDE(1),\n! NF_INT1_T I1VALS(1))\n EXTERNAL NF_PUT_VARS_INT1\n\n INTEGER NF_GET_VARS_INT1\n! (INTEGER NCID,\n! INTEGER VARID,\n! INTEGER START(1),\n! INTEGER COUNT(1),\n! INTEGER STRIDE(1),\n! NF_INT1_T I1VALS(1))\n EXTERNAL NF_GET_VARS_INT1\n\n INTEGER NF_PUT_VARS_INT2\n! (INTEGER NCID,\n! INTEGER VARID,\n! INTEGER START(1),\n! INTEGER COUNT(1),\n! INTEGER STRIDE(1),\n! NF_INT2_T I2VALS(1))\n EXTERNAL NF_PUT_VARS_INT2\n\n INTEGER NF_GET_VARS_INT2\n! (INTEGER NCID,\n! INTEGER VARID,\n! INTEGER START(1),\n! INTEGER COUNT(1),\n! INTEGER STRIDE(1),\n! NF_INT2_T I2VALS(1))\n EXTERNAL NF_GET_VARS_INT2\n\n INTEGER NF_PUT_VARS_INT\n! (INTEGER NCID,\n! INTEGER VARID,\n! INTEGER START(1),\n! INTEGER COUNT(1),\n! INTEGER STRIDE(1),\n! INTEGER IVALS(1))\n EXTERNAL NF_PUT_VARS_INT\n\n INTEGER NF_GET_VARS_INT\n! (INTEGER NCID,\n! INTEGER VARID,\n! INTEGER START(1),\n! INTEGER COUNT(1),\n! INTEGER STRIDE(1),\n! INTEGER IVALS(1))\n EXTERNAL NF_GET_VARS_INT\n\n INTEGER NF_PUT_VARS_REAL\n! (INTEGER NCID,\n! INTEGER VARID,\n! INTEGER START(1),\n! INTEGER COUNT(1),\n! INTEGER STRIDE(1),\n! REAL RVALS(1))\n EXTERNAL NF_PUT_VARS_REAL\n\n INTEGER NF_GET_VARS_REAL\n! (INTEGER NCID,\n! INTEGER VARID,\n! INTEGER START(1),\n! INTEGER COUNT(1),\n! INTEGER STRIDE(1),\n! REAL RVALS(1))\n EXTERNAL NF_GET_VARS_REAL\n\n INTEGER NF_PUT_VARS_DOUBLE\n! (INTEGER NCID,\n! INTEGER VARID,\n! INTEGER START(1),\n! INTEGER COUNT(1),\n! INTEGER STRIDE(1),\n! DOUBLEPRECISION DVALS(1))\n EXTERNAL NF_PUT_VARS_DOUBLE\n\n INTEGER NF_GET_VARS_DOUBLE\n! (INTEGER NCID,\n! INTEGER VARID,\n! INTEGER START(1),\n! INTEGER COUNT(1),\n! INTEGER STRIDE(1),\n! DOUBLEPRECISION DVALS(1))\n EXTERNAL NF_GET_VARS_DOUBLE\n\n!\n! MAPPED VARIABLE PUT/GET ROUTINES:\n!\n\n INTEGER NF_PUT_VARM_TEXT\n! (INTEGER NCID,\n! INTEGER VARID,\n! INTEGER START(1),\n! INTEGER COUNT(1),\n! INTEGER STRIDE(1),\n! INTEGER IMAP(1),\n! CHARACTER(*) TEXT)\n EXTERNAL NF_PUT_VARM_TEXT\n\n INTEGER NF_GET_VARM_TEXT\n! (INTEGER NCID,\n! INTEGER VARID,\n! INTEGER START(1),\n! INTEGER COUNT(1),\n! INTEGER STRIDE(1),\n! INTEGER IMAP(1),\n! CHARACTER(*) TEXT)\n EXTERNAL NF_GET_VARM_TEXT\n\n INTEGER NF_PUT_VARM_INT1\n! (INTEGER NCID,\n! INTEGER VARID,\n! INTEGER START(1),\n! INTEGER COUNT(1),\n! INTEGER STRIDE(1),\n! INTEGER IMAP(1),\n! NF_INT1_T I1VALS(1))\n EXTERNAL NF_PUT_VARM_INT1\n\n INTEGER NF_GET_VARM_INT1\n! (INTEGER NCID,\n! INTEGER VARID,\n! INTEGER START(1),\n! INTEGER COUNT(1),\n! INTEGER STRIDE(1),\n! INTEGER IMAP(1),\n! NF_INT1_T I1VALS(1))\n EXTERNAL NF_GET_VARM_INT1\n\n INTEGER NF_PUT_VARM_INT2\n! (INTEGER NCID,\n! INTEGER VARID,\n! INTEGER START(1),\n! INTEGER COUNT(1),\n! INTEGER STRIDE(1),\n! INTEGER IMAP(1),\n! NF_INT2_T I2VALS(1))\n EXTERNAL NF_PUT_VARM_INT2\n\n INTEGER NF_GET_VARM_INT2\n! (INTEGER NCID,\n! INTEGER VARID,\n! INTEGER START(1),\n! INTEGER COUNT(1),\n! INTEGER STRIDE(1),\n! INTEGER IMAP(1),\n! NF_INT2_T I2VALS(1))\n EXTERNAL NF_GET_VARM_INT2\n\n INTEGER NF_PUT_VARM_INT\n! (INTEGER NCID,\n! INTEGER VARID,\n! INTEGER START(1),\n! INTEGER COUNT(1),\n! INTEGER STRIDE(1),\n! INTEGER IMAP(1),\n! INTEGER IVALS(1))\n EXTERNAL NF_PUT_VARM_INT\n\n INTEGER NF_GET_VARM_INT\n! (INTEGER NCID,\n! INTEGER VARID,\n! INTEGER START(1),\n! INTEGER COUNT(1),\n! INTEGER STRIDE(1),\n! INTEGER IMAP(1),\n! INTEGER IVALS(1))\n EXTERNAL NF_GET_VARM_INT\n\n INTEGER NF_PUT_VARM_REAL\n! (INTEGER NCID,\n! INTEGER VARID,\n! INTEGER START(1),\n! INTEGER COUNT(1),\n! INTEGER STRIDE(1),\n! INTEGER IMAP(1),\n! REAL RVALS(1))\n EXTERNAL NF_PUT_VARM_REAL\n\n INTEGER NF_GET_VARM_REAL\n! (INTEGER NCID,\n! INTEGER VARID,\n! INTEGER START(1),\n! INTEGER COUNT(1),\n! INTEGER STRIDE(1),\n! INTEGER IMAP(1),\n! REAL RVALS(1))\n EXTERNAL NF_GET_VARM_REAL\n\n INTEGER NF_PUT_VARM_DOUBLE\n! (INTEGER NCID,\n! INTEGER VARID,\n! INTEGER START(1),\n! INTEGER COUNT(1),\n! INTEGER STRIDE(1),\n! INTEGER IMAP(1),\n! DOUBLEPRECISION DVALS(1))\n EXTERNAL NF_PUT_VARM_DOUBLE\n\n INTEGER NF_GET_VARM_DOUBLE\n! (INTEGER NCID,\n! INTEGER VARID,\n! INTEGER START(1),\n! INTEGER COUNT(1),\n! INTEGER STRIDE(1),\n! INTEGER IMAP(1),\n! DOUBLEPRECISION DVALS(1))\n EXTERNAL NF_GET_VARM_DOUBLE\n\n!CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC\n! Begin netCDF 2.4 backward compatibility:\n!\n\n! \n! Functions in the FORTRAN interface\n!\n INTEGER NCCRE\n INTEGER NCOPN\n INTEGER NCDDEF\n INTEGER NCDID\n INTEGER NCVDEF\n INTEGER NCVID\n INTEGER NCTLEN\n INTEGER NCSFIL\n\n EXTERNAL NCCRE\n EXTERNAL NCOPN\n EXTERNAL NCDDEF\n EXTERNAL NCDID\n EXTERNAL NCVDEF\n EXTERNAL NCVID\n EXTERNAL NCTLEN\n EXTERNAL NCSFIL\n\n\n INTEGER NCRDWR\n INTEGER NCCREAT\n INTEGER NCEXCL\n INTEGER NCINDEF\n INTEGER NCNSYNC\n INTEGER NCHSYNC\n INTEGER NCNDIRTY\n INTEGER NCHDIRTY\n INTEGER NCLINK\n INTEGER NCNOWRIT\n INTEGER NCWRITE\n INTEGER NCCLOB\n INTEGER NCNOCLOB\n INTEGER NCGLOBAL\n INTEGER NCFILL\n INTEGER NCNOFILL\n INTEGER MAXNCOP\n INTEGER MAXNCDIM\n INTEGER MAXNCATT\n INTEGER MAXNCVAR\n INTEGER MAXNCNAM\n INTEGER MAXVDIMS\n INTEGER NCNOERR\n INTEGER NCEBADID\n INTEGER NCENFILE\n INTEGER NCEEXIST\n INTEGER NCEINVAL\n INTEGER NCEPERM\n INTEGER NCENOTIN\n INTEGER NCEINDEF\n INTEGER NCECOORD\n INTEGER NCEMAXDS\n INTEGER NCENAME\n INTEGER NCENOATT\n INTEGER NCEMAXAT\n INTEGER NCEBADTY\n INTEGER NCEBADD\n INTEGER NCESTS\n INTEGER NCEUNLIM\n INTEGER NCEMAXVS\n INTEGER NCENOTVR\n INTEGER NCEGLOB\n INTEGER NCENOTNC\n INTEGER NCFOOBAR\n INTEGER NCSYSERR\n INTEGER NCFATAL\n INTEGER NCVERBOS\n INTEGER NCENTOOL\n\n\n!\n! netCDF data types:\n!\n INTEGER NCBYTE\n INTEGER NCCHAR\n INTEGER NCSHORT\n INTEGER NCLONG\n INTEGER NCFLOAT\n INTEGER NCDOUBLE\n\n PARAMETER(NCBYTE = 1)\n PARAMETER(NCCHAR = 2)\n PARAMETER(NCSHORT = 3)\n PARAMETER(NCLONG = 4)\n PARAMETER(NCFLOAT = 5)\n PARAMETER(NCDOUBLE = 6)\n\n! \n! masks for the struct NC flag field; passed in as 'mode' arg to\n! nccreate and ncopen.\n! \n\n! read/write, 0 => readonly \n PARAMETER(NCRDWR = 1)\n! in create phase, cleared by ncendef \n PARAMETER(NCCREAT = 2)\n! on create destroy existing file \n PARAMETER(NCEXCL = 4)\n! in define mode, cleared by ncendef \n PARAMETER(NCINDEF = 8)\n! synchronise numrecs on change (X'10')\n PARAMETER(NCNSYNC = 16)\n! synchronise whole header on change (X'20')\n PARAMETER(NCHSYNC = 32)\n! numrecs has changed (X'40')\n PARAMETER(NCNDIRTY = 64) \n! header info has changed (X'80')\n PARAMETER(NCHDIRTY = 128)\n! prefill vars on endef and increase of record, the default behavior\n PARAMETER(NCFILL = 0)\n! do not fill vars on endef and increase of record (X'100')\n PARAMETER(NCNOFILL = 256)\n! isa link (X'8000')\n PARAMETER(NCLINK = 32768)\n\n! \n! 'mode' arguments for nccreate and ncopen\n! \n PARAMETER(NCNOWRIT = 0)\n PARAMETER(NCWRITE = NCRDWR)\n PARAMETER(NCCLOB = NF_CLOBBER)\n PARAMETER(NCNOCLOB = NF_NOCLOBBER)\n\n! \n! 'size' argument to ncdimdef for an unlimited dimension\n! \n INTEGER NCUNLIM\n PARAMETER(NCUNLIM = 0)\n\n! \n! attribute id to put/get a global attribute\n! \n PARAMETER(NCGLOBAL = 0)\n\n! \n! Advisory Maximums:\n! \n PARAMETER(MAXNCOP = 32)\n PARAMETER(MAXNCDIM = 100)\n PARAMETER(MAXNCATT = 2000)\n PARAMETER(MAXNCVAR = 2000)\n! Not enforced \n PARAMETER(MAXNCNAM = 128)\n PARAMETER(MAXVDIMS = MAXNCDIM)\n\n! \n! Global netcdf error status variable\n! Initialized in error.c\n! \n\n! No Error \n PARAMETER(NCNOERR = 0)\n! Not a netcdf id \n PARAMETER(NCEBADID = 1)\n! Too many netcdfs open \n PARAMETER(NCENFILE = 2) \n! netcdf file exists && NCNOCLOB\n PARAMETER(NCEEXIST = 3)\n! Invalid Argument \n PARAMETER(NCEINVAL = 4)\n! Write to read only \n PARAMETER(NCEPERM = 5)\n! Operation not allowed in data mode \n PARAMETER(NCENOTIN = 6) \n! Operation not allowed in define mode \n PARAMETER(NCEINDEF = 7) \n! Coordinates out of Domain \n PARAMETER(NCECOORD = 8)\n! MAXNCDIMS exceeded \n PARAMETER(NCEMAXDS = 9)\n! String match to name in use \n PARAMETER(NCENAME = 10) \n! Attribute not found \n PARAMETER(NCENOATT = 11)\n! MAXNCATTRS exceeded \n PARAMETER(NCEMAXAT = 12)\n! Not a netcdf data type \n PARAMETER(NCEBADTY = 13)\n! Invalid dimension id \n PARAMETER(NCEBADD = 14) \n! NCUNLIMITED in the wrong index \n PARAMETER(NCEUNLIM = 15)\n! MAXNCVARS exceeded \n PARAMETER(NCEMAXVS = 16)\n! Variable not found \n PARAMETER(NCENOTVR = 17)\n! Action prohibited on NCGLOBAL varid \n PARAMETER(NCEGLOB = 18)\n! Not a netcdf file \n PARAMETER(NCENOTNC = 19)\n PARAMETER(NCESTS = 20)\n PARAMETER (NCENTOOL = 21) \n PARAMETER(NCFOOBAR = 32)\n PARAMETER(NCSYSERR = -1)\n\n! \n! Global options variable. Used to determine behavior of error handler.\n! Initialized in lerror.c\n! \n PARAMETER(NCFATAL = 1)\n PARAMETER(NCVERBOS = 2)\n\n!\n! Default fill values. These must be the same as in the C interface.\n!\n INTEGER FILBYTE\n INTEGER FILCHAR\n INTEGER FILSHORT\n INTEGER FILLONG\n REAL FILFLOAT\n DOUBLEPRECISION FILDOUB\n\n PARAMETER (FILBYTE = -127)\n PARAMETER (FILCHAR = 0)\n PARAMETER (FILSHORT = -32767)\n PARAMETER (FILLONG = -2147483647)\n PARAMETER (FILFLOAT = 9.9692099683868690e+36)\n PARAMETER (FILDOUB = 9.9692099683868690e+36)\n" }, { "path": "UTIL/create_ebi/src/NOTICE.EXT", "content": "\n!.........................................................................\n! Version \"@(#)$Header$\"\n! EDSS/Models-3 I/O API.\n! Copyright (C) 1992-2002 MCNC and Carlie J. Coats, Jr., and\n! copyright (C) 2002-2004 Baron Advanced Meteorological Systems, LLC\n!\n! Distributed under the GNU LESSER GENERAL PUBLIC LICENSE version 2.1\n!\n! DO NOT EDIT !!\n!\n! The EDSS/Models-3 I/O API depends in an essential manner\n! upon the I/O API source code. ANY CHANGES to INCLUDE files\n! are likely to result in very obscure, difficult-to-diagnose\n! bugs caused by an inconsistency between standard \"libioapi.a\"\n! object-libraries and whatever code is compiled with the\n! resulting modified INCLUDE-file.\n!\n! By making any changes to any of these INCLUDE files, the user\n! explicitly agrees that in the case any assistance is required\n! of MCNC or of the I/O API author, Carlie J. Coats, Jr., as\n! a result of such changes, THE USER AND/OR HIS PROJECT OR\n! CONTRACT AGREES TO REIMBURSE MCNC AND/OR THE I/O API AUTHOR,\n! CARLIE J. COATS, JR., AT A RATE TRIPLE THE NORMAL CONTRACT\n! RATE FOR THE SERVICES REQUIRED.\n!\n! See file \"LGPL.txt\" for additional conditions of use.\n!.........................................................................\n" }, { "path": "UTIL/create_ebi/src/PARMS3.EXT", "content": "\n!.........................................................................\n! Version \"@(#)$Header$\"\n! EDSS/Models-3 I/O API.\n! Copyright (C) 1992-2003 MCNC and Carlie J. Coats, Jr, and\n! (C) 2003-2004 Baron Advanced Meteorological Systems LLC.\n! Distributed under the GNU LESSER GENERAL PUBLIC LICENSE version 2.1\n! See file \"LGPL.txt\" for conditions of use.\n!....................................................................\n! INCLUDE FILE PARMS3.EXT\n!\n! DO NOT EDIT !!\n!\n! The EDSS/Models-3 I/O API depends in an essential manner\n! upon the contents of this INCLUDE file. ANY CHANGES are\n! likely to result in very obscure, difficult-to-diagnose\n! bugs caused by an inconsistency between standard \"libioapi.a\"\n! object-libraries and whatever code is compiled with the\n! resulting modified INCLUDE-file.\n!\n! By making any changes to this INCLUDE file, the user\n! explicitly agrees that in the case any assistance is \n! required of MCNC or of the I/O API author, Carlie J. Coats, Jr.\n! as a result of such changes, THE USER AND/OR HIS PROJECT OR\n! CONTRACT AGREES TO REIMBURSE MCNC AND/OR THE I/O API AUTHOR,\n! CARLIE J. COATS, JR., AT A RATE TRIPLE THE NORMAL CONTRACT\n! RATE FOR THE SERVICES REQUIRED.\n!\n! CONTAINS:\n! Fortran dimensioning parameters, standard file-type, grid-type, etc.\n! token values for Models-3 I/O System API\n!\n! DEPENDENT UPON:\n! M3INT, M3REAL, M3DBLE consistent with NETCDF.EXT\n! Consistent with C include file \"parms3.h\"\n!\n! REVISION HISTORY:\n! prototype 3/1992 by Carlie J. Coats, Jr., MCNC Environmental\n! Programs\n!\n! Modified 12/1992 by CJC: new map projection type STEGRD3.\n!\n! Modified 6/1994 by CJC: I/O API Revisions.\n!\n! Modified 12/1996 by CJC: support for new file types\n! Modified 2/2002 by CJC: updated dates, license; compatibility\n! with both free and fixed Fortran 9x source forms\n!\n! Modified 10/2003 by CJC for I/O AI version 3: support for\n! native-binary BINFILE3 file type\n!....................................................................\n\n!........... Dimensioning parameters:\n \n INTEGER MXDLEN3 ! description line length\n INTEGER NAMLEN3 ! name length (logical names, etc.)\n INTEGER MXFILE3 ! max number of open files\n INTEGER MXVARS3 ! max number of variables per file\n INTEGER MXDESC3 ! max number of description lines\n INTEGER MXLAYS3 ! max # of layers per file\n INTEGER MXATTS3 ! max # ATDSC3.EXT attributes per variable\n \n!........... Token-values (\"magic numbers\"):\n \n INTEGER CUSTOM3 ! file type value \"user-structured custom\"\n INTEGER GRDDED3 ! file type value \"gridded\"\n INTEGER BNDARY3 ! file type value \"boundary-condition\"\n INTEGER IDDATA3 ! file type value \"ID-referenced data\"\n INTEGER PROFIL3 ! file type value \"rawind vertical profiles\"\n INTEGER GRNEST3 ! file type value \"nested-grid\"\n INTEGER SMATRX3 ! file type value \"sparse matrix\"\n INTEGER DCTNRY3 ! file type value \"dictionary\"\n INTEGER DGRAPH3 ! file type value \"directed graph\"\n INTEGER KFEVNT3 ! file type value \"KF cloud event\"\n INTEGER TSRIES3 ! file type value \"time series\"\n INTEGER PTRFLY3 ! file type value \"pointer-flyer\"\n\n INTEGER M3CHAR ! variable type value \"CHARACTER-string\"\n INTEGER M3BYTE ! variable type value \"Byte\"\n INTEGER M3INT ! variable type value \"INTEGER\"\n INTEGER M3REAL ! variable type value \"REAL\"\n INTEGER M3DBLE ! variable type value \"DOUBLE PRECISION\"\n\n INTEGER BUFFIL3 ! \"buffered-file\" value for CDFID\n INTEGER VIRFIL3 ! \"virtual-file\" value for CDFID\n INTEGER LSTFIL3 ! \"file-list\" value for CDFID\n INTEGER BINFIL3 ! \"native-binary\" value for CDFID\n\n INTEGER FSREAD3 ! OPEN3() flag: \"old read-only\" file\n INTEGER FSRDWR3 ! \"old read-write\" file\n INTEGER FSNEW3 ! \"new (read-write)\" file\n INTEGER FSUNKN3 ! \"unknown (read_write)\" file\n INTEGER FSCREA3 ! \"unknown (write): truncate if exists\" file\n\n INTEGER LATGRD3 ! grid type value: lat-lon coords\n INTEGER LAMGRD3 ! grid type value: Lambert (e.g., RADM)\n INTEGER MERGRD3 ! grid type value: (general) Mercator\n INTEGER STEGRD3 ! grid type value: (tangent) stereographic\n INTEGER UTMGRD3 ! grid type value: UTM (special case Merc.)\n INTEGER POLGRD3 ! grid type value: polar stereographic\n INTEGER EQMGRD3 ! grid type value: equatorial Mercator\n INTEGER TRMGRD3 ! grid type value: transverse Mercator\n\n INTEGER VGSGPH3 ! vert coord type 1: hydrostatic sigma-P\n INTEGER VGSGPN3 ! vert coord type 2: non-h sigma-P\n INTEGER VGSIGZ3 ! vert coord type 3: sigma-Z\n INTEGER VGPRES3 ! vert coord type 4: pressure (mb)\n INTEGER VGZVAL3 ! vert coord type 5: Z (m) (above sea lvl)\n INTEGER VGHVAL3 ! vert coord type 6: H (m) (above ground)\n INTEGER VGWRFEM ! vert coord type 7: WRF mass-core sigma\n INTEGER VGWRFNM ! vert coord type 8: WRF NMM\n\n INTEGER ALLAYS3 ! Flag value: read all layers\n CHARACTER*16 ALLVAR3 ! Flag value: read all variables\n \n REAL BADVAL3 ! real flag value: \"bad\" or \"missing\"\n REAL AMISS3 ! BADVAL3 < AMISS3 on all machines\n INTEGER OKFLAG3 ! int flag value: \"good\" values\n INTEGER IMISS3 ! int flag value: \"bad\" or \"missing\" \n CHARACTER*16 CMISS3 ! char flag value: \"missing\"\n\n INTEGER XSTAT0 ! Normal, successful completion\n INTEGER XSTAT1 ! File I/O error\n INTEGER XSTAT2 ! Execution error\n INTEGER XSTAT3 ! Special error\n\n INTEGER LITTLE_ENDIAN\n INTEGER BIG_ENDIAN\n INTEGER PDP_ENDIAN\n\n\n!....... Dimensioning parameters:\n\n PARAMETER ( MXFILE3 = 64 , MXVARS3 = 540 ,\n & MXDESC3 = 60 , MXDLEN3 = 80 ,\n & MXATTS3 = 20 , MXLAYS3 = 100 ,\n & NAMLEN3 = 16 )\n\n!....... Token-value parameters:\n\n PARAMETER ( KFEVNT3 = -3 , DGRAPH3 = -2 , CUSTOM3 = -1 ,\n & DCTNRY3 = 0 , GRDDED3 = 1 , BNDARY3 = 2 ,\n & IDDATA3 = 3 , PROFIL3 = 4 , GRNEST3 = 5 ,\n & SMATRX3 = 6 , TSRIES3 = 7 , PTRFLY3 = 8 ,\n & M3BYTE = 1 , M3CHAR = 2 , M3INT = 4 ,\n & M3REAL = 5 , M3DBLE = 6 ,\n & BUFFIL3 = -1 , VIRFIL3 = -2 , LSTFIL3 = -3 ,\n & BINFIL3 = -4 , FSREAD3 = 1 , FSRDWR3 = 2 ,\n & FSNEW3 = 3 , FSUNKN3 = 4 ,\n & FSCREA3 = 5 )\n \n PARAMETER ( LATGRD3 = 1 , LAMGRD3 = 2 ,\n & MERGRD3 = 3 , STEGRD3 = 4 ,\n & UTMGRD3 = 5 , POLGRD3 = 6 ,\n & EQMGRD3 = 7 , TRMGRD3 = 8 )\n \n PARAMETER ( VGSGPH3 = 1 , VGSGPN3 = 2 ,\n & VGSIGZ3 = 3 , VGPRES3 = 4 ,\n & VGZVAL3 = 5 , VGHVAL3 = 6 ,\n & VGWRFEM = 7 , VGWRFNM = 8 )\n \n PARAMETER ( ALLAYS3 = -1 , ALLVAR3 = 'ALL',\n & OKFLAG3 = 5461 ,\n & IMISS3 = -9999 ,\n & AMISS3 = -9.000E36 ,\n & BADVAL3 = -9.999E36 ,\n & CMISS3 = '????????????????' )\n\n PARAMETER ( XSTAT0 = 0 ,\n & XSTAT1 = 1 ,\n & XSTAT2 = 2 ,\n & XSTAT3 = 3 )\n\n!....... These match BSD-style \"endian.h\" values:\n\n PARAMETER ( LITTLE_ENDIAN = 1234,\n & BIG_ENDIAN = 4321 ,\n & PDP_ENDIAN = 3412 )\n\n!................ end PARMS3.EXT ....................................\n\n" }, { "path": "UTIL/create_ebi/src/STATE3.EXT", "content": "\n!.........................................................................\n! Version \"@(#)$Header$\"\n! EDSS/Models-3 I/O API. Copyright (C) 1992-2002 MCNC\n! Distributed under the GNU LESSER GENERAL PUBLIC LICENSE version 2.1\n! See file \"LGPL.txt\" for conditions of use.\n!....................................................................\n! INCLUDE FILE STATE3.EXT\n!\n!\n! DO NOT EDIT !!\n!\n! The EDSS/Models-3 I/O API depends in an essential manner\n! upon the contents of this INCLUDE file. ANY CHANGES are\n! likely to result in very obscure, difficult-to-diagnose\n! bugs caused by an inconsistency between standard \"libioapi.a\"\n! object-libraries and whatever code is compiled with the\n! resulting modified INCLUDE-file.\n!\n! By making any changes to this INCLUDE file, the user\n! explicitly agrees that in the case any assistance is \n! required of MCNC or of the I/O API author, Carlie J. Coats, Jr.\n! as a result of such changes, THE USER AND/OR HIS PROJECT OR\n! CONTRACT AGREES TO REIMBURSE MCNC AND/OR THE I/O API AUTHOR,\n! CARLIE J. COATS, JR., AT A RATE TRIPLE THE NORMAL CONTRACT\n! RATE FOR THE SERVICES REQUIRED.\n!\n! CONTAINS: Commons BSTATE3 and CSTATE3 which store I/O system state\n! for FORTRAN Models-3 I/O System API. (Recall that FORTRAN 77\n! prohibits character and non-character data in the same common.)\n! Note that grid description info needs to be double-precision\n! instead of single-precision, in order to minimize roundoff\n! error in grid-to/from-geographic coordinate transformations.\n!\n! DEPENDENT UPON: PARMS3.EXT\n!\n! REFERENCED BY: IOAPI routines (assume that it is referenced by all\n! of them.\n!\n! ---->> PRIVATE TO IO API; NOT TO BE USED BY APPLICATIONS !!!!!\n!\n! REVISION HISTORY:\n! prototype 3/1992 by CJC\n! modified 12/1992 by CJC: map-projection descriptive parameters P_ALP,\n! P_BET, P_GAM (q.v. FDESC3.EXT)\n! modified 7/1994 by CJC: XCENT3, YCENT3; reorder BSTATE3 for\n! alignment of entries.\n! Modified 12/1996 by CJC: support for new file types\n! Modified 1/2002 by CJC: updated dates, license\n!\n! Modified 3/2002 by CJC: updated dates, license; compatibility\n! with both free and fixed Fortran 9x source forms; split out\n! virtual-mode COMMON in STATE3V.EXT\n!\n! Modified 3/2002 by CJC: flag STDOUT set by INIT3() and used\n! by M3MSG2() to control error output to the screen.\n!\n! Modified 10/2002 by CJC for I/O AP1 v3: add VERSN3 to CSTATE3\n!....................................................................\n\n LOGICAL FINIT3 ! Is M3 FORTRAN I/O started?\n\n INTEGER COUNT3 ! current number of open files\n INTEGER CURDATE ! current date, format YYYYDDD\n INTEGER CURTIME ! current time, format HHMMSS\n INTEGER LOGDEV ! unit number for log file\n INTEGER CDFID3( MXFILE3 ) ! netCDF file ID's\n INTEGER FTYPE3( MXFILE3 ) ! file types(dict, grid, bdy, etc.)\n INTEGER SDATE3( MXFILE3 ) ! starting dates, format YYYYDDD\n INTEGER STIME3( MXFILE3 ) ! starting times, format HHMMSS\n INTEGER TSTEP3( MXFILE3 ) ! timesteps, format H*MMSS\n INTEGER MXREC3( MXFILE3 ) ! maximum timestep record number\n INTEGER NVARS3( MXFILE3 ) ! number of variables (species...)\n INTEGER NLAYS3( MXFILE3 ) ! number of layers\n INTEGER NROWS3( MXFILE3 ) ! number of grid rows or data sites\n INTEGER NCOLS3( MXFILE3 ) ! number of grid cols or profile lvls\n INTEGER NTHIK3( MXFILE3 ) ! B'DY: perimeter thickness (cells)\n INTEGER TINDX3( MXFILE3 ) ! netCDF var. ID for timestep-flag\n INTEGER NINDX3( MXFILE3 ) ! netCDF var. ID for site-count\n INTEGER SINDX3( MXFILE3 ) ! netCDF var. ID for site-ID\n INTEGER LINDX3( MXFILE3 ) ! netCDF var. ID for level-count\n INTEGER WCNDX3( MXFILE3 ) ! netCDF var. ID for bdy col-count\n INTEGER WRNDX3( MXFILE3 ) ! netCDF var. ID for bdy row-count\n INTEGER XINDX3( MXFILE3 ) ! netCDF var. ID for X\n INTEGER YINDX3( MXFILE3 ) ! netCDF var. ID for Y\n INTEGER ZINDX3( MXFILE3 ) ! netCDF var. ID for Z\n INTEGER DXNDX3( MXFILE3 ) ! netCDF var. ID for GRNEST DX\n INTEGER DYNDX3( MXFILE3 ) ! netCDF var. ID for GRNEST DY\n INTEGER VINDX3( MXVARS3, MXFILE3 ) ! netCDF var. IDs\n INTEGER VTYPE3( MXVARS3, MXFILE3 ) ! netCDF datatypes for vars\n INTEGER GDTYP3( MXFILE3 ) ! grid type (lat-lon, UTM, ... )\n\n REAL*8 P_ALP3( MXFILE3 ) ! first, second, third map\n REAL*8 P_BET3( MXFILE3 ) ! projection descriptive\n REAL*8 P_GAM3( MXFILE3 ) ! parameters.\n REAL*8 XCENT3( MXFILE3 ) ! lon, coord system origin, by file\n REAL*8 YCENT3( MXFILE3 ) ! lat, coord system origin, by file\n REAL*8 XORIG3( MXFILE3 ) ! X-coord grid origin, by file\n REAL*8 YORIG3( MXFILE3 ) ! X-coord grid origin, by file\n REAL*8 XCELL3( MXFILE3 ) ! X-coord cell dimension, by file\n REAL*8 YCELL3( MXFILE3 ) ! X-coord cell dimension, by file\n\n LOGICAL VOLAT3( MXFILE3 ) ! \"volatile\" flags: use NCSYNC\n\n LOGICAL RONLY3( MXFILE3 ) ! read-only flags\n\n!........... Circular buffer structures used for BUFFERED \"files\".\n\n INTEGER BSIZE3( MXFILE3 ) ! buffer size or IMISS\n INTEGER LDATE3( MXVARS3, MXFILE3 ) ! start date, time for \n INTEGER LTIME3( MXVARS3, MXFILE3 ) ! current BUFFERED data\n INTEGER NDATE3( MXVARS3, MXFILE3 ) ! end date, time for \n INTEGER NTIME3( MXVARS3, MXFILE3 ) ! current BUFFERED data\n INTEGER ILAST3( MXVARS3, MXFILE3 ) ! 0,1 sub. for LDATE:LTIME\n\n!........... Data structures used for input LIST \"file-sequences\" for,\n!........... READ3/INTERP3, designated by logical-name bindings of the\n!........... form \"setenv FOO \"LIST:BAR,QUX,ZOT...\"\n!........... This is done with \"sparse representation\" for the data \n!........... structures\n!........... NLIST3(FID) s the number of list entries for FLIST3(FID).\n!........... ILCNT3 is the total number of active list-entries.\n!........... ILIST3(*) is the list of FID's for all \"list-files\"\n!........... BEGRC3(*) is the list of starting record numbers, relative\n!........... to the parent FID\n!........... ENDRC3(*) is the list of ending record numbers, relative\n!........... to the parent FID\n\n INTEGER ILCNT3 ! total # of list entries\n INTEGER NLIST3( MXFILE3 ) ! list-size for this FID\n INTEGER IFRST3( MXFILE3 ) ! starting list index in ILIST3\n INTEGER ILIST3( MXFILE3 ) ! ID-list (compressed)\n INTEGER BEGRC3( MXFILE3 ) ! buffer size or IMISS\n INTEGER ENDRC3( MXFILE3 ) ! buffer size or IMISS\n\n!........... Other system attributes:\n\n LOGICAL STDOUT ! controls message-echo to standard output\n\n CHARACTER*80 EXECN3 ! value of env vble EXECUTION_ID (set by INIT3())\n\n CHARACTER*80 VERSN3 ! value of I/O API Version (set by INIT3())\n\n CHARACTER*16 FLIST3( MXFILE3 ) ! file name table\n CHARACTER*16 GDNAM3( MXFILE3 ) ! grid name table\n\n CHARACTER*80 SCNDSC( MXDESC3 ) ! scenario description text\n\n CHARACTER*16 VLIST3( MXVARS3 , MXFILE3 ) ! variable-name table\n\n !! non-character portion of current I/O API state\n !! Note that DOUBLE components are listed first, in order\n !! to ensure appropriate (64-bit, usually) alignment.\n\n COMMON / BSTATE3 /\n &\n & P_ALP3, P_BET3, P_GAM3,\n & XCENT3, YCENT3, XORIG3, YORIG3, XCELL3, YCELL3,\n & FINIT3, COUNT3, CURDATE, CURTIME, LOGDEV,\n & CDFID3, FTYPE3, SDATE3, STIME3, TSTEP3, MXREC3,\n & NVARS3, NLAYS3, NROWS3, NCOLS3, NTHIK3,\n & TINDX3, NINDX3, SINDX3, LINDX3, WCNDX3, WRNDX3,\n & XINDX3, YINDX3, ZINDX3, DXNDX3, DYNDX3, VINDX3,\n & GDTYP3, VOLAT3, RONLY3,\n & BSIZE3, LDATE3, LTIME3, NDATE3, NTIME3, ILAST3,\n & VTYPE3,\n & ILCNT3, NLIST3, IFRST3, ILIST3, BEGRC3, ENDRC3,\n & STDOUT\n\n !! character portion of current I/O API state\n\n COMMON / CSTATE3 /\n &\n & EXECN3, SCNDSC, FLIST3, GDNAM3, VLIST3, VERSN3\n \n SAVE / BSTATE3 / , / CSTATE3 /\n\n!................ end STATE3.EXT ....................................\n\n" }, { "path": "UTIL/create_ebi/src/driver.F", "content": "\n PROGRAM CR_EBI_SOLVER\n\nC**********************************************************************\nC\nC FUNCTION: Create source code for mechanism specific EBI solver\nC\nC PRECONDITIONS: None\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by Jerry Gipson, February, 2004\nC Modified 06/09 by J. Gipson to include steady-state\nC approximations and special rate constants\nC\nC**********************************************************************\n USE ENV_VARS\n USE GLOBAL_DATA\n! USE M3UTILIO ! IOAPI parameters and declarations\n USE RXNS_DATA\n\n IMPLICIT NONE\n\nC..INCLUDES:\n\n \n \nC..ARGUMENTS: None\n\nC..PARAMETERS: None\n\nC..EXTERNAL FUNCTIONS: None\n \nC..LOCAL VARIABLES:\n CHARACTER( 16 ) :: PNAME = 'CR_EBI_SOLVER'\n CHARACTER( 80 ) :: MSG\n\n INTEGER :: N ! Loop index\n\n\nC**********************************************************************\n\n\n CALL GET_ENVS\n\n CALL SET_GLBLDATA\n\n CALL ERR_CHECK\n\n CALL WR_DRIVER\n\n! CALL WR_CALCKS\n\n CALL WR_SOLVER\n\n CALL WR_DATA\n\n CALL WR_INIT\n\n CALL WR_GP1\n\n CALL WR_GP2\n\n CALL WR_GP3\n\n CALL WR_GP4\n\n CALL WR_PRODLOSS\n\n! IF( NSPECIAL .GT. 0 ) CALL WR_SPECIAL\n\n IF( N_SS_SPC .GT. 0 ) THEN\n MSG = TRIM( PNAME )\n & // ': ERROR: Mechanism uses steady state or equilibrium '\n & // 'solution for specific species. The utility is '\n & // 'disabled in the version of the EBI code generator.' \n WRITE(LOGDEV,'(a)')TRIM(MSG)\n STOP\n! CALL WR_SSA\n END IF\n\nc..This subroutine needs to be called after all other to insure that\nc..all references to rxrat are properly accounted for\n CALL WR_RATES\n\n\n \n WRITE( LOGDEV, 90000 ) NOUTFLS\n\n DO N = 1, NOUTFLS\n WRITE( LOGDEV, 90020 ) OUTFLNAM( N )\n END DO \n\n MSG = 'Program ' // PNAME( 1 : LEN_TRIM( PNAME ) ) // \n & ' completed successfully'\n\n WRITE(LOGDEV,'(a)')TRIM(MSG)\n STOP\n\n90000 FORMAT( /'The following ', I2, ' output files were created:' )\n90020 FORMAT( 5X, A )\n END\n\n" }, { "path": "UTIL/create_ebi/src/err_check.F", "content": " SUBROUTINE ERR_CHECK\n\nC**********************************************************************\nC\nC FUNCTION: Check species & rxns for potential errors in creating\nC EBI source\nC\nC PRECONDITIONS: None\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by Jerry Gipson, March, 2004\nC\nC**********************************************************************\n USE ENV_VARS\n USE GLOBAL_DATA\n! USE M3UTILIO ! IOAPI parameters and declarations\n USE RXNS_DATA ! mechanism data and specifications\n\n\n IMPLICIT NONE\n\nC..INCLUDES: \n\n \n \nC..ARGUMENTS: None\n\nC..PARAMETERS:\n INTEGER, PARAMETER :: IZERO = 0 ! Integer zero\n\nC..EXTERNAL FUNCTIONS:\n! INTEGER NAME_INDEX !\n\n\nC..SAVED LOCAL VARIABLES: None\n \nC..SCRATCH LOCAL VARIABLES:\n CHARACTER( 5 ) :: RNUM\n CHARACTER( 16 ) :: PNAME = 'ERR_CHECK' ! Program name\n CHARACTER( 100 ) :: LINOUT ! Reaction line\n CHARACTER( 150 ) :: RXOUT ! Reaction line\n CHARACTER( 256 ) :: MSG ! Message text\n\n INTEGER :: E1, E2\n INTEGER :: M, N \n INTEGER :: NPOS\n INTEGER :: IND\n\n REAL(8) :: RXN_LOSS = 0.0D0\n REAL(8) :: RXN_PROD = 0.0D0\n \n LOGICAL :: LERROR \n LOGICAL :: LRXN1 \n LOGICAL :: LFOUND\n\nC**********************************************************************\n\n LERROR = .FALSE.\n\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Check & report group species indices\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n IF( NO .EQ. 0 ) THEN\n MSG = 'ERROR: Group 1 species NO not found in species list'\n WRITE( LOGDEV, 92020 ) MSG( 1 : LEN_TRIM( MSG ) )\n LERROR = .TRUE.\n END IF\n\n IF( NO2 .EQ. 0 ) THEN\n MSG = 'ERROR: Group 1 species NO2 not found in species list'\n WRITE( LOGDEV, 92020 ) MSG( 1 : LEN_TRIM( MSG ) )\n LERROR = .TRUE.\n END IF\n\n IF( O3 .EQ. 0 ) THEN\n MSG = 'ERROR: Group 1 species O3 not found in species list'\n WRITE( LOGDEV, 92020 ) MSG( 1 : LEN_TRIM( MSG ) )\n LERROR = .TRUE.\n END IF\n\n IF( O3P .EQ. 0 ) THEN\n MSG = 'ERROR: Group 1 species O3P not found in species list'\n WRITE( LOGDEV, 92020 ) MSG( 1 : LEN_TRIM( MSG ) )\n LERROR = .TRUE.\n END IF\n\n IF( O1D .EQ. 0 ) THEN\n MSG = 'ERROR: Group 1 species O1D not found in species list'\n WRITE( LOGDEV, 92020 ) MSG( 1 : LEN_TRIM( MSG ) )\n LERROR = .TRUE.\n END IF\n\n IF( LNO2EX_CYCLE .AND. NO2EX .EQ. 0 ) THEN\n MSG = 'ERROR: Group 1 species NO2EX not found in species list'\n WRITE( LOGDEV, 92020 ) MSG( 1 : LEN_TRIM( MSG ) )\n LERROR = .TRUE.\n END IF\n\n IF( OH .EQ. 0 ) THEN\n MSG = 'ERROR: Group 2 species OH not found in species list'\n WRITE( LOGDEV, 92020 ) MSG( 1 : LEN_TRIM( MSG ) )\n LERROR = .TRUE.\n END IF\n\n IF( HO2 .EQ. 0 ) THEN\n MSG = 'ERROR: Group 2 species HO2 not found in species list'\n WRITE( LOGDEV, 92020 ) MSG( 1 : LEN_TRIM( MSG ) )\n LERROR = .TRUE.\n END IF\n\n IF( HONO .EQ. 0 ) THEN\n MSG = 'ERROR: Group 2 species HONO not found in species list'\n WRITE( LOGDEV, 92020 ) MSG( 1 : LEN_TRIM( MSG ) )\n LERROR = .TRUE.\n END IF\n\n IF( HNO4 .EQ. 0 ) THEN\n MSG = 'ERROR: Group 2 species HNO4 not found in species list'\n WRITE( LOGDEV, 92020 ) MSG( 1 : LEN_TRIM( MSG ) )\n LERROR = .TRUE.\n END IF\n\n IF( NO3 .EQ. 0 ) THEN\n MSG = 'ERROR: Group 3 species NO3 not found in species list'\n WRITE( LOGDEV, 92020 ) MSG( 1 : LEN_TRIM( MSG ) )\n LERROR = .TRUE.\n END IF\n\n IF( N2O5 .EQ. 0 ) THEN\n MSG = 'ERROR: Group 3 species N2O5 not found in species list'\n WRITE( LOGDEV, 92020 ) MSG( 1 : LEN_TRIM( MSG ) )\n LERROR = .TRUE.\n END IF\n\n IF( C2O3 .EQ. 0 ) THEN\n MSG = 'ERROR: Group 4 species C2O3 not found in species list'\n WRITE( LOGDEV, 92020 ) MSG( 1 : LEN_TRIM( MSG ) )\n LERROR = .TRUE.\n END IF\n\n IF( PAN .EQ. 0 ) THEN\n MSG = 'ERROR: Group 4 species PAN not found in species list'\n WRITE( LOGDEV, 92020 ) MSG( 1 : LEN_TRIM( MSG ) )\n LERROR = .TRUE.\n END IF\n\n IF( .NOT. LERROR ) THEN\n WRITE( LOGDEV, 93000 ) \n & SPECIES( NO )( 1 : LEN_TRIM( SPECIES( NO ) ) ),\n & SPECIES( NO2 )( 1 : LEN_TRIM( SPECIES( NO2 ) ) ),\n & SPECIES( O3 )( 1 : LEN_TRIM( SPECIES( O3 ) ) ),\n & SPECIES( O3P )( 1 : LEN_TRIM( SPECIES( O3P ) ) ),\n & SPECIES( O1D )( 1 : LEN_TRIM( SPECIES( O1D ) ) ),\n & SPECIES( OH )( 1 : LEN_TRIM( SPECIES( OH ) ) ),\n & SPECIES( HO2 )( 1 : LEN_TRIM( SPECIES( HO2 ) ) ),\n & SPECIES( HONO )( 1 : LEN_TRIM( SPECIES( HONO ) ) ),\n & SPECIES( HNO4 )( 1 : LEN_TRIM( SPECIES( HNO4 ) ) ),\n & SPECIES( NO3 )( 1 : LEN_TRIM( SPECIES( NO3 ) ) ),\n & SPECIES( N2O5 )( 1 : LEN_TRIM( SPECIES( N2O5 ) ) ),\n & SPECIES( C2O3 )( 1 : LEN_TRIM( SPECIES( C2O3 ) ) ),\n & SPECIES( PAN )( 1 : LEN_TRIM( SPECIES( PAN ) ) )\n\n IF( LNO2EX_CYCLE ) WRITE( LOGDEV, 93010 ) \n & SPECIES( NO2EX )( 1 : LEN_TRIM( SPECIES( NO2EX ) ) )\n END IF\n\n\n IF( LERROR ) THEN\n MSG = TRIM( PNAME ) // ': Stopping because of group species error'\n WRITE(LOGDEV,'(a)')TRIM(MSG)\n STOP\n END IF\n\n\n WRITE( LOGDEV, 94000 )\n \n IF( LNO2EX_CYCLE ) WRITE( LOGDEV, 94010 )\n\n\nc..check for rxns w/ more than 2 reactants ( Warning only )\n LRXN1 = .TRUE.\n NPOS = 50\n DO N = 1, NRXNS\n IF( NREACT( N ) .GT. 2 ) THEN\n IF( LRXN1 ) THEN\n WRITE( LOGDEV, 95000 )\n LRXN1 = .FALSE.\n END IF\n WRITE( RNUM, '(I5)') N\n CALL CMPRS_RXN( IZERO, IZERO, IZERO, IZERO, N, RXOUT )\n CALL TRIM_RXN( RXOUT, NPOS )\n E1 = LEN_TRIM( RXOUT )\n E2 = LEN_TRIM( RXLABEL( N ) )\n LINOUT = ' REACTION ' // RNUM // ': <' // \n & RXLABEL( N )( 1 : LL ) // '> ' // RXOUT( 1 : E1 )\n E1 = LEN_TRIM( LINOUT )\n WRITE( LOGDEV, 92000 ) LINOUT( 1 : E1 )\n END IF\n END DO\n\n\nc..check to make sure all O1D loss reactions are psuedo-first order\n LRXN1 = .TRUE.\n NPOS = 50\n DO N = 1, NRXNS\n IF( ( IRR( N, 1 ) .EQ. O1D .AND. NREACT( N ) .GT. 1 ) .OR.\n & IRR( N, 2 ) .EQ. O1D .OR. IRR( N, 3 ) .EQ. O1D ) THEN\n IF( LRXN1 ) THEN\n WRITE( LOGDEV, 95020 )\n LRXN1 = .FALSE.\n END IF\n WRITE( RNUM, '(I5)') N\n CALL CMPRS_RXN( IZERO, IZERO, IZERO, IZERO, N, RXOUT )\n CALL TRIM_RXN( RXOUT, NPOS )\n E1 = LEN_TRIM( RXOUT )\n LINOUT = ' REACTION ' // RNUM // ': <' // \n & RXLABEL( N )( 1 : LL ) // '> ' // RXOUT( 1 : E1 )\n E1 = LEN_TRIM( LINOUT )\n WRITE( LOGDEV, 92000 ) LINOUT( 1 : E1 )\n LERROR = .TRUE.\n END IF\n END DO\n\nc..check to make sure there is a O1D-->O3P reaction\n LFOUND = .FALSE.\n DO N = 1, NRXNS\n IF( ( IRR( N, 1 ) .EQ. O1D .AND. NREACT( N ) .EQ. 1 ) .AND.\n & IRR( N, 4 ) .EQ. O3P ) THEN\n LFOUND = .TRUE.\n EXIT\n END IF\n END DO\n IF( .NOT. LFOUND ) THEN\n WRITE( LOGDEV, 95040 )\n LERROR = .TRUE.\n END IF\n\nc..check to make sure there is a O1D-->2*OH reaction\n LFOUND = .FALSE.\n DO N = 1, NRXNS\n IF( ( IRR( N, 1 ) .EQ. O1D .AND. NREACT( N ) .EQ. 1 ) .AND.\n & IRR( N, 4 ) .EQ. OH .AND. SC( N, 1 ) .EQ. 2.0D0 ) THEN\n LFOUND = .TRUE.\n EXIT\n END IF\n END DO\n IF( .NOT. LFOUND ) THEN\n WRITE( LOGDEV, 95060 )\n LERROR = .TRUE.\n END IF\n\n\nc..check for a NO2=NO+O3P reaction\n LFOUND = .FALSE.\n DO N = 1, NRXNS\n IF( ( IRR( N, 1 ) .EQ. NO2 .AND. NREACT( N ) .EQ. 1 ) .AND.\n & ( ( IRR( N, 4 ) .EQ. NO .AND. IRR( N, 5 ) .EQ. O3P ) .OR.\n & ( IRR( N, 4 ) .EQ. O3P .AND. IRR( N, 5 ) .EQ. NO ) ) ) THEN\n LFOUND = .TRUE.\n EXIT\n END IF\n END DO\n IF( .NOT. LFOUND ) THEN\n WRITE( LOGDEV, 95080 )\n LERROR = .TRUE.\n END IF\n\nc..check for a O3P-->O3\n LFOUND = .FALSE.\n DO N = 1, NRXNS\n IF( IRR( N, 1 ) .EQ. O3P .AND. NREACT( N ) .EQ. 1 .AND.\n & IRR( N, 4 ) .EQ. O3 .AND. SC( N, 1 ) .EQ. 1.0D0 ) THEN\n LFOUND = .TRUE.\n EXIT\n END IF\n END DO\n IF( .NOT. LFOUND ) THEN\n WRITE( LOGDEV, 95100 )\n LERROR = .TRUE.\n END IF\n\nc..check for a NO+O3=NO2 reaction\n LFOUND = .FALSE.\n DO N = 1, NRXNS\n IF( ( ( IRR( N, 1 ) .EQ. NO .AND. IRR( N, 2 ) .EQ. O3 ) .OR.\n & ( IRR( N, 2 ) .EQ. NO .AND. IRR( N, 1 ) .EQ. O3 ) ) .AND.\n & ( IRR( N, 4 ) .EQ. NO2 .AND. SC( N, 1 ) .EQ. 1.0D0 ) ) THEN\n LFOUND = .TRUE.\n EXIT\n END IF\n END DO\n IF( .NOT. LFOUND ) THEN\n WRITE( LOGDEV, 95120 )\n LERROR = .TRUE.\n END IF\n\nc..check for a HONO=OH+NO reaction\n LFOUND = .FALSE.\n DO N = 1, NRXNS\n IF( ( ( IRR( N, 1 ) .EQ. HONO .AND. NREACT( N ) .EQ. 1 ) .AND.\n & ( IRR( N, 4 ) .EQ. OH .AND. IRR( N, 5 ) .EQ. NO ) ) .OR.\n & ( IRR( N, 4 ) .EQ. NO .AND. IRR( N, 5 ) .EQ. OH ) ) THEN\n LFOUND = .TRUE.\n EXIT\n END IF\n END DO\n IF( .NOT. LFOUND ) THEN\n WRITE( LOGDEV, 95140 )\n LERROR = .TRUE.\n END IF\n\nc..check for a NO+OH=HONO reaction\n LFOUND = .FALSE.\n DO N = 1, NRXNS\n IF( ( ( IRR( N, 1 ) .EQ. OH .AND. IRR( N, 2 ) .EQ. NO ) .OR.\n & ( IRR( N, 1 ) .EQ. NO .AND. IRR( N, 2 ) .EQ. OH ) .AND.\n & NREACT( N ) .EQ. 2 ) .AND.\n & ( IRR( N, 4 ) .EQ. HONO .AND. NPRDCT( N ) .EQ. 1 ) ) THEN\n LFOUND = .TRUE.\n EXIT\n END IF\n END DO\n IF( .NOT. LFOUND ) THEN\n WRITE( LOGDEV, 95160 )\n LERROR = .TRUE.\n END IF\n\nc..check for a HNO4=HO2+NO2 reaction\n LFOUND = .FALSE.\n DO N = 1, NRXNS\n IF( ( ( IRR( N, 1 ) .EQ. HNO4 .AND. NREACT( N ) .EQ. 1 ) .AND.\n & ( IRR( N, 4 ) .EQ. HO2 .AND. IRR( N, 5 ) .EQ. NO2 ) ) .OR.\n & ( IRR( N, 4 ) .EQ. NO2 .AND. IRR( N, 5 ) .EQ. HO2 ) ) THEN\n LFOUND = .TRUE.\n EXIT\n END IF\n END DO\n IF( .NOT. LFOUND ) THEN\n WRITE( LOGDEV, 95180 )\n LERROR = .TRUE.\n END IF\n\nc..check for a HO2+NO2=HNO4 reaction\n LFOUND = .FALSE.\n DO N = 1, NRXNS\n IF( ( ( IRR( N, 1 ) .EQ. HO2 .AND. IRR( N, 2 ) .EQ. NO2 ) .OR.\n & ( IRR( N, 1 ) .EQ. NO2 .AND. IRR( N, 2 ) .EQ. HO2 ) .AND.\n & NREACT( N ) .EQ. 2 ) .AND.\n & ( IRR( N, 4 ) .EQ. HNO4 .AND. NPRDCT( N ) .EQ. 1 ) ) THEN\n LFOUND = .TRUE.\n EXIT\n END IF\n END DO\n IF( .NOT. LFOUND ) THEN\n WRITE( LOGDEV, 95200 )\n LERROR = .TRUE.\n END IF\n\nc..check for a HO2+HO2= reaction\n LFOUND = .FALSE.\n DO N = 1, NRXNS\n IF( IRR( N, 1 ) .EQ. HO2 .AND. IRR( N, 2 ) .EQ. HO2 .AND.\n & NREACT( N ) .EQ. 2 ) THEN\n LFOUND = .TRUE.\n EXIT\n END IF\n END DO\n IF( .NOT. LFOUND ) THEN\n WRITE( LOGDEV, 95220 )\n LERROR = .TRUE.\n END IF\n\n \nc..check for a C2O3+C2O3= reaction\n LFOUND = .FALSE.\n DO N = 1, NRXNS\n IF( IRR( N, 1 ) .EQ. C2O3 .AND. IRR( N, 2 ) .EQ. C2O3 .AND.\n & NREACT( N ) .EQ. 2 ) THEN\n LFOUND = .TRUE.\n RXN_C2O3_SELF = N\n EXIT\n END IF\n END DO\n IF( .NOT. LFOUND ) THEN\n WRITE( LOGDEV, 95240 )\n LERROR = .TRUE.\n END IF\n\nc..If NO2EX cycle in group1, check cycle reactions\n\n IF( LNO2EX_CYCLE ) THEN\n\nc..check for NO2->NO2EX reaction\n LFOUND = .FALSE.\n DO N = 1, NRXNS\n IF( IRR( N, 1 ) .EQ. NO2 .AND. NREACT( N ) .EQ. 1 .AND.\n & IRR( N, 4 ) .EQ. NO2EX ) THEN\n LFOUND = .TRUE.\n EXIT\n END IF\n END DO\n IF( .NOT. LFOUND ) THEN\n WRITE( LOGDEV, 95260 )\n LERROR = .TRUE.\n END IF\n\nc..Check that all NO2EX loss reactions are psuedo-first order\n LRXN1 = .TRUE.\n NPOS = 50\n DO N = 1, NRXNS\n IF( ( IRR( N, 1 ) .EQ. NO2EX .AND. NREACT( N ) .GT. 1 ) .OR.\n & IRR( N, 2 ) .EQ. NO2EX .OR. IRR( N, 3 ) .EQ. NO2EX ) THEN\n IF( LRXN1 ) THEN\n WRITE( LOGDEV, 95280 )\n LRXN1 = .FALSE.\n END IF\n WRITE( RNUM, '(I5)') N\n CALL CMPRS_RXN( IZERO, IZERO, IZERO, IZERO, N, RXOUT )\n CALL TRIM_RXN( RXOUT, NPOS )\n E1 = LEN_TRIM( RXOUT )\n LINOUT = ' REACTION ' // RNUM // ': <' // \n & RXLABEL( N )( 1 : LL ) // '> ' // RXOUT( 1 : E1 )\n E1 = LEN_TRIM( LINOUT )\n WRITE( LOGDEV, 92000 ) LINOUT( 1 : E1 )\n LERROR = .TRUE.\n END IF\n END DO\n\n END IF ! LNO2_CYCLE = .TRUE.\n\n! Check for net negative stoichiometry in reactions\n \n DO M = 1, NRXNS\n DO N = 1, NUMB_MECH_SPC\n CALL SUM_COEFF( RXN_LOSS, 'R', N, M )\n CALL SUM_COEFF( RXN_PROD, 'P', N, M )\n IF( RXN_LOSS + RXN_PROD .GE. 0.0D0 )CYCLE\n IF( LPAR_NEG .AND. TRIM( CHEMISTRY_SPC( N ) ) .EQ. 'PAR' )CYCLE\n LERROR = .TRUE.\n IF( .NOT. LPAR_NEG .AND. TRIM( CHEMISTRY_SPC( N ) ) .EQ. 'PAR' )THEN\n WRITE( RNUM, '(I5)') N\n MSG = ' ERROR: REACTION ' // TRIM( RXLABEL( M ) )\n & // ' has negative net yield for PAR but PAR_NEG_FLAG set to false. '\n & // 'Correct run script and re-run.'\n WRITE(LOGDEV,92000)TRIM( MSG )\n CYCLE \n END IF\n MSG = ' ERROR: REACTION ' // TRIM( RXLABEL( M ) )\n & // ' has negative net yield for ' // TRIM( CHEMISTRY_SPC( N ) ) \n & // '. Not Permitted.'\n WRITE(LOGDEV,92000)TRIM( MSG )\n END DO\n END DO \n \n \n\nc..check to make sure no group 1-4 species are also steady-state species\n IF( N_SS_SPC .GT. 0 ) THEN\n\n DO N = 1, N_SS_SPC\n\n IND = NAME_INDEX( SS_SPC( N ), N_SPECIES, SPECIES )\n\n IF( IND .EQ. NO .OR. IND .EQ. NO2 .OR.\n & IND .EQ. O3 .OR. IND .EQ. O3P .OR.\n & IND .EQ. O1D .OR. IND .EQ. OH .OR.\n & IND .EQ. HO2 .OR. IND .EQ. HONO .OR.\n & IND .EQ. HNO4 .OR. IND .EQ. NO3 .OR.\n & IND .EQ. N2O5 .OR. IND .EQ. C2O3 .OR.\n & IND .EQ. PAN ) THEN\n WRITE( LOGDEV, 95300 ) SS_SPC( N )\n LERROR = .TRUE.\n END IF\n\n IF( LNO2EX_CYCLE .AND. IND .EQ. NO2EX ) THEN\n WRITE( LOGDEV, 95300 ) SS_SPC( N )\n LERROR = .TRUE.\n END IF\n\n END DO\n\n END IF\n \n\n IF( LERROR ) THEN\n MSG = TRIM( PNAME )\n & // ': Stopping because mechanism requirements for EBI solver not met'\n WRITE(LOGDEV,'(a)')TRIM(MSG)\n STOP\n ELSE\n WRITE( LOGDEV, 94020 )\n END IF\n\n\n RETURN\n\n92000 FORMAT( A )\n\n92020 FORMAT(/ 5X, A )\n\n\n93000 FORMAT( // ' Group species mapping results:' /\n &' nitric oxide (NO): ', A /\n &' nitrogen dioxide (NO2): ', A /\n &' ozone (O3): ', A /\n &' ground state atomic oxygen (O3P): ', A /\n &' excited atomic oxygen (O1D): ', A /\n &' hydroxyl radical (OH): ', A /\n &' hydroperoxy radical (HO2): ', A /\n &' nitrous acid (HONO): ', A /\n &' peroxynitric acid (HNO4): ', A /\n &' nitrate radical (NO3): ', A /\n &' nitrogen pentoxide (N2O5): ', A /\n &' peroxy acetyl radical (C2O3): ', A /\n &' peroxy acetyl nitrate (PAN): ', A )\n93010 FORMAT( ' excited nitrogen dioxide (NO2EX): ', A )\n\n94000 FORMAT(//5X, 'Checking mechanism for EBI solver requirements.' )\n94010 FORMAT(//5X, 'NOTE: NO2EX is included in Group 1' )\n94020 FORMAT( /5X, 'No mechanism requirement problems detected - continuing.' )\n\n\n95000 FORMAT(/5X, 'WARNING: The following reactions have more than 2',\n & ' reactants.' )\n95020 FORMAT(/5X, 'ERROR: The mechanism includes a non psuedo 1st-order',\n & ' loss reaction for O1D' ) \n95040 FORMAT(/5X, 'ERROR: O1D-->O3P reaction not found in mechanism' )\n95060 FORMAT(/5X, 'ERROR: O1D-->2*OH reaction not found in mechanism' )\n95080 FORMAT(/5X, 'ERROR: NO2-->NO+O3P reaction not found in mechanism' )\n95100 FORMAT(/5X, 'ERROR: O3P-->O3 reaction not found in mechanism' )\n95120 FORMAT(/5X, 'ERROR: NO+O3-->NO2 reaction not found in mechanism' )\n95140 FORMAT(/5X, 'ERROR: HONO-->OH+NO reaction not found in mechanism' )\n95160 FORMAT(/5X, 'ERROR: NO+OH-->HONO reaction not found in mechanism' )\n95180 FORMAT(/5X, 'ERROR: HNO4-->HO2+NO2 reaction not found in mechanism' )\n95200 FORMAT(/5X, 'ERROR: HO2+NO2-->HNO4 reaction not found in mechanism' )\n95220 FORMAT(/5X, 'ERROR: HO2+HO2--> reaction not found in mechanism' )\n95240 FORMAT(/5X, 'ERROR: C2O3+C2O3--> reaction not found in mechanism' )\n95260 FORMAT(/5X, 'ERROR: NO2-->NO2EX reaction not found inmechanism' )\n95280 FORMAT(/5X, 'ERROR: The mechanism includes a non psuedo 1st-order',\n & ' loss reaction for NO2EX' ) \n95300 FORMAT(/5X, 'ERROR: The following group species cannot be put in',\n & ' steady-state: ', A )\n \n\n END\n" }, { "path": "UTIL/create_ebi/src/fake_ioapi.f", "content": "c...fake_ioapi.f\n\n \n subroutine m3exit ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n \n implicit none\n character*16 pname\n character*80 xmsg\n integer jdate, jtime, xstat1\n \n print *, ' *******program ',pname,' terminated normally********'\n print *, ' at date/time ', jdate, jtime\n print *, xmsg\n return\n end\n \n subroutine m3warn ( PNAME, JDATE, JTIME, XMSG )\n \n implicit none\n character*16 pname\n character*80 xmsg\n integer jdate, jtime\n \n print *, ' !!!warning in program ',pname,' !!!!!!!!!!'\n print *, ' at date/time ', jdate, jtime\n print *, xmsg\n return\n end\n \n\n subroutine pm3warn ( PNAME, JDATE, JTIME, XMSG )\n \n implicit none\n character*16 pname\n character*80 xmsg\n integer jdate, jtime\n \n print *, ' !!!warning in program ',pname,' !!!!!!!!!!'\n print *, ' at date/time ', jdate, jtime\n print *, xmsg\n return\n end\n\n\n subroutine m3mesg ( MSG )\n \n implicit none\n character*80 msg\n \n print *, msg\n return\n end\n\n\n integer function init3 ( )\n \n implicit none\n \n init3 = 6\n return\n end\n\nC.........................................................................\nC Version \"@(#)$Header: /env/proj/archive/cvs/ioapi/./ioapi/src/trimlen.f,v 1.2 2000/11/28 21:23:07 smith_w Exp $\"\nC EDSS/Models-3 I/O API. Copyright (C) 1992-1999 MCNC\nC Distributed under the GNU LESSER GENERAL PUBLIC LICENSE version 2.1\nC See file \"LGPL.txt\" for conditions of use.\nC.........................................................................\n\n INTEGER FUNCTION TRIMLEN ( STRING )\n\nC***********************************************************************\nC function body starts at line 43\nC\nC FUNCTION: return the effective length of argument CHARACTER*(*) STRING,\nC after trailing blanks have been trimmed.\nC\nC PRECONDITIONS REQUIRED: none\nC\nC SUBROUTINES AND FUNCTIONS CALLED: none\nC\nC REVISION HISTORY: \nC Prototype 8/91 by CJC\nC Version 2/93 for CRAY by CJC\nC\nC***********************************************************************\n\n IMPLICIT NONE\n\n\nC........... ARGUMENTS and their descriptions:\n\n CHARACTER*(*) STRING\n\n\nC........... SCRATCH LOCAL VARIABLES and their descriptions:\n\n INTEGER L, K\n\n\nC***********************************************************************\nC begin body of function TRIMLEN\n\n L = LEN( STRING )\n DO 11 K = L, 1, -1\n IF ( STRING( K:K ) .NE. ' ' ) THEN\n GO TO 12\n END IF\n11 CONTINUE\n\n K = 1\n\n12 CONTINUE\n\n TRIMLEN = K\n\n RETURN\n\n END\n\n\nC.........................................................................\nC Version \"@(#)$Header: /env/proj/archive/cvs/ioapi/./ioapi/src/index1.f,v 1.2 2000/11/28 21:22:49 smith_w Exp $\"\nC EDSS/Models-3 I/O API. Copyright (C) 1992-1999 MCNC\nC Distributed under the GNU LESSER GENERAL PUBLIC LICENSE version 2.1\nC See file \"LGPL.txt\" for conditions of use.\nC.........................................................................\n\n INTEGER FUNCTION INDEX1 (NAME, N, NLIST)\n\nC***********************************************************************\nC subroutine body starts at line 46\nC\nC FUNCTION:\nC\nC Searches for NAME in list NLIST and returns the subscript\nC (1...N) at which it is found, or returns 0 when NAME not\nC found in NLIST\nC\nC PRECONDITIONS REQUIRED: none\nC\nC SUBROUTINES AND FUNCTIONS CALLED: none\nC\nC REVISION HISTORY:\nC\nC 5/88 Modified for ROMNET\nC 9/94 Modified for Models-3 by CJC\nC\nC***********************************************************************\n\n IMPLICIT NONE\n \nC....... Arguments and their descriptions:\n\n CHARACTER*(*) NAME ! Character string being searched for\n INTEGER N ! Length of array to be searched\n CHARACTER*(*) NLIST(*) ! array to be searched\n\nC....... Local variable:\n\n INTEGER I ! loop counter\n\nC.....................................................................\nC....... begin body of INDEX1()\n\n DO 100 I = 1, N\n\n IF ( NAME .EQ. NLIST( I ) ) THEN ! Found NAME in NLIST\n INDEX1 = I\n RETURN\n END IF\n\n100 CONTINUE\n\n INDEX1 = 0 ! not found\n RETURN\n\n END\n\n" }, { "path": "UTIL/create_ebi/src/junit.F", "content": "\n INTEGER FUNCTION JUNIT()\n\nC***********************************************************************\nC function body starts at line 60\nC\nC FUNCTION:\nC\nC Routine returns next available FORTRAN unit number\nC\nC REVISION HISTORY:\nC\nC 3/88 Maximum number of I/O unit numbers was increased from 50\nC to 75 due to increased file I/O requirements.\nC 5/88 Modified for ROMNET\nC 7/90 Modified for ROM 2.2 -- uses EXWST for error abort.\nC 8/90 Algorithm simplification: replaced IF-GOTO loop by DO loop.\nC 8/90 Algorithm simplification: counting algorithm instead of table\nC of flags; uses POSIX standards-approved unit numbers 11-99\nC 3/92 Models-3 Prototype version (eliminate EXWST)\nC 8/96 Modified by CJC -- On counting-algorithm failure, performs\nC INQUIREs to find available unit.\nC 2/97 conditional definition of EXIT under AIX\nC\nC ARGUMENT LIST DESCRIPTION: empty argument list\nC\nC RETURN VALUE: JUNIT Unit number selected\nC\nC LOCAL VARIABLE DESCRIPTION:\nC\nC IUNIT state variable: counts through available units\nC BOT parameter: first POSIX-approved unit number for FORTRAN I/O\nC TOP parameter: last ...\nC\nC***********************************************************************\n\n\n IMPLICIT NONE\n\nC........... PARAMETERS and their descriptions:\n\n INTEGER BOT ! 1 less than initial unit number\n INTEGER TOP ! final unit number\n PARAMETER ( BOT = 10, TOP = 99 )\n\n\nC........... SAVED LOCAL VARIABLES and their descriptions:\n\n INTEGER IUNIT, J\n LOGICAL FLAG\n DATA IUNIT / TOP / ! current highest unit number\n SAVE IUNIT\n\nC............................................................................\nC....... begin body of JUNIT:\n\n IF ( IUNIT .GE. BOT ) THEN\n JUNIT = IUNIT\n IUNIT = IUNIT - 1\n ELSE\n DO 11 J = BOT, TOP\n INQUIRE( UNIT=J, OPENED=FLAG )\n IF ( .NOT. FLAG ) THEN\n JUNIT = J\n RETURN\n END IF \n11 CONTINUE\n \nC......... If you get to here: failure\n\n WRITE (*,91001) BOT, TOP, IUNIT\n CALL EXIT( 2 )\n END IF\n RETURN\n\n\nC************************* FORMAT STATEMENTS **************************\n\nC Error and warning message formats 91xxx\n\n\n91001 FORMAT (///, 1X, '*** ERROR ABORT IN ROUTINE JUNIT ***',\n & /, 5X, 'NO MORE UNIT NUMBERS AVAILABLE FOR I/O',\n & /, 5X, 'First POSIX-approved unit:', I4 ,\n & /, 5X, 'Last POSIX-approved unit:', I4 ,\n & /, 5X, 'Current unit: ', I4 ,\n & //)\n\n END\n" }, { "path": "UTIL/create_ebi/src/module_env_functions.F", "content": "\n MODULE GET_ENV_FUNCTIONS\n\n IMPLICIT NONE\n PUBLIC :: GET_ENV_STRING, GET_ENV_FLAG, GET_ENV_INT, GET_ENV_REAL,\n & GET_ENVLIST, VALUE_NAME \n \n INTEGER, PARAMETER, PRIVATE :: LOGDEV = 6\n INTEGER, PARAMETER, PRIVATE :: MAX_LEN_WORD = 16\n \n CONTAINS\n\n SUBROUTINE VALUE_NAME( VAR_NAME, VAR_VALUE )\n IMPLICIT NONE\n CHARACTER*(*), INTENT( IN ) :: VAR_NAME\n CHARACTER*(*), INTENT( OUT ) :: VAR_VALUE\n\n INTEGER :: STATUS\n \n CALL GET_ENV_STRING( VAR_NAME, \" \", VAR_NAME, VAR_VALUE, STATUS )\n\n END SUBROUTINE VALUE_NAME\n SUBROUTINE GET_ENV_STRING( VAR_NAME, VAR_DESC, VAR_DEFAULT, VAR_VALUE, STATUS )\n IMPLICIT NONE\n!arguments\n CHARACTER*(*), INTENT( IN ) :: VAR_NAME\n CHARACTER*(*), INTENT( IN ) :: VAR_DESC\n CHARACTER*(*), INTENT( IN ) :: VAR_DEFAULT\n CHARACTER*(*), INTENT( OUT ) :: VAR_VALUE\n INTEGER, INTENT( OUT ) :: STATUS \n!local\n CHARACTER( 586 ) :: MSG ! Message text\n\n CALL GET_ENVIRONMENT_VARIABLE( NAME=VAR_NAME, VALUE= VAR_VALUE, STATUS=STATUS, TRIM_NAME=.TRUE.)\n\n IF( STATUS .LT. 0 ) THEN\n MSG = 'ERROR in environment value for ' // TRIM( VAR_NAME )\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n ELSE IF( STATUS .EQ. 1 )THEN\n STATUS = -1\n VAR_VALUE = TRIM( VAR_DEFAULT ) \n ELSE IF( STATUS .GT. 1 )THEN\n STATUS = 1\n MSG = 'ERROR in environment value for ' // TRIM( VAR_NAME )\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n MSG = 'ERROR Processor does not support environment variables '\n WRITE(LOGDEV,'(a)')\n END IF\n IF( STATUS .EQ. 0 )THEN\n MSG = ' Value for ' // TRIM( VAR_NAME ) // ': ' // TRIM( VAR_VALUE )\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n END IF\n\n END SUBROUTINE GET_ENV_STRING\n LOGICAL FUNCTION GET_ENV_FLAG( VAR_NAME, VAR_DESC, VAR_DEFAULT, STATUS )\n IMPLICIT NONE\n!arguments\n CHARACTER*(*), INTENT( IN ) :: VAR_NAME\n CHARACTER*(*), INTENT( IN ) :: VAR_DESC\n LOGICAL, INTENT( IN ) :: VAR_DEFAULT\n INTEGER, INTENT( OUT ) :: STATUS \n!local\n CHARACTER( 586 ) :: MSG ! Message text\n CHARACTER( 1 ) :: VAR_VALUE\n CHARACTER( 5 ) :: REPLY\n\n CALL GET_ENVIRONMENT_VARIABLE( NAME=VAR_NAME, VALUE= VAR_VALUE, STATUS=STATUS, TRIM_NAME=.TRUE.)\n\n IF( STATUS .LT. 0 ) THEN\n MSG = 'ERROR in environment value for ' // TRIM( VAR_NAME )\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n STATUS = 1\n ELSE IF( STATUS .EQ. 1 )THEN\n STATUS = -1\n GET_ENV_FLAG = VAR_DEFAULT\n WRITE(LOGDEV,' (A,L)')'Environment Variable '\n & // TRIM( VAR_NAME ) // ' missing.'\n & // ' Using default value of ',VAR_DEFAULT\n STATUS = -1\n ELSE IF( STATUS .GT. 1 )THEN\n STATUS = 1\n MSG = 'ERROR in environment value for ' // TRIM( VAR_NAME )\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n MSG = 'ERROR Processor does not support environment variables '\n WRITE(LOGDEV,'(a)')\n ELSE\n STATUS = 0 \n IF( VAR_VALUE(1:1) .EQ. 'T' .OR. VAR_VALUE(1:1) .EQ. 'Y' )THEN\n GET_ENV_FLAG = .TRUE.\n ELSE IF( VAR_VALUE(1:1) .EQ. 't' .OR. VAR_VALUE(1:1) .EQ. 'y' )THEN\n GET_ENV_FLAG = .TRUE.\n ELSE IF( VAR_VALUE(1:1) .EQ. 'F' .OR. VAR_VALUE(1:1) .EQ. 'N' )THEN\n GET_ENV_FLAG = .FALSE.\n ELSE IF( VAR_VALUE(1:1) .EQ. 'f' .OR. VAR_VALUE(1:1) .EQ. 'n' )THEN\n GET_ENV_FLAG = .FALSE.\n ELSE \n WRITE(LOGDEV,' (A,L)')'Environment Variable '\n & // TRIM( VAR_NAME ) // ' must equal T, Y, F, or N.'\n & // ' Using default value of ',VAR_DEFAULT\n STATUS = -1\n GET_ENV_FLAG = VAR_DEFAULT\n END IF\n END IF\n IF( STATUS .EQ. 0 )THEN\n IF( GET_ENV_FLAG )THEN\n REPLY = 'TRUE '\n ELSE\n REPLY = 'FALSE'\n END IF\n WRITE(MSG,'(a,L1,a)')' Value for ' // TRIM( VAR_NAME ) // ': ',GET_ENV_FLAG,\n & ' returning ' // REPLY\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n END IF \n\n END FUNCTION GET_ENV_FLAG\n INTEGER FUNCTION GET_ENV_INT( VAR_NAME, VAR_DESC, VAR_DEFAULT, STATUS )\n IMPLICIT NONE\n!arguments\n CHARACTER*(*), INTENT( IN ) :: VAR_NAME\n CHARACTER*(*), INTENT( IN ) :: VAR_DESC\n INTEGER, INTENT( IN ) :: VAR_DEFAULT\n INTEGER, INTENT( OUT ) :: STATUS \n!local\n CHARACTER( 120 ) :: MSG ! Message text\n CHARACTER( 120 ) :: VAR_VALUE\n CHARACTER( 5 ) :: REPLY\n \n INTEGER :: READ_VALUE\n\n CALL GET_ENVIRONMENT_VARIABLE( NAME=VAR_NAME, VALUE= VAR_VALUE, STATUS=STATUS, TRIM_NAME=.TRUE.)\n\n IF( STATUS .LT. 0 ) THEN\n MSG = 'ERROR in environment value for ' // TRIM( VAR_NAME )\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n STATUS = 1\n ELSE IF( STATUS .EQ. 1 )THEN\n STATUS = -1\n GET_ENV_INT = VAR_DEFAULT\n WRITE(LOGDEV,' (A,I8)')'Environment Variable '\n & // TRIM( VAR_NAME ) // ' missing.'\n & // ' Using default value of ',VAR_DEFAULT\n ELSE IF( STATUS .GT. 1 )THEN\n STATUS = 1\n MSG = 'ERROR in environment value for ' // TRIM( VAR_NAME )\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n MSG = 'ERROR Processor does not support environment variables '\n WRITE(LOGDEV,'(a)')\n ELSE\n STATUS = 0 \n READ(VAR_VALUE , *)READ_VALUE\n GET_ENV_INT = READ_VALUE\n WRITE(MSG,'(a,I8)')' Value for ' // TRIM( VAR_NAME ) // ': ',\n & GET_ENV_INT\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n END IF\n\n END FUNCTION GET_ENV_INT\n REAL FUNCTION GET_ENV_REAL( VAR_NAME, VAR_DESC, VAR_DEFAULT, STATUS )\n IMPLICIT NONE\n!arguments\n CHARACTER*(*), INTENT( IN ) :: VAR_NAME\n CHARACTER*(*), INTENT( IN ) :: VAR_DESC\n REAL, INTENT( IN ) :: VAR_DEFAULT\n INTEGER, INTENT( OUT ) :: STATUS \n!local\n CHARACTER( 120 ) :: MSG ! Message text\n CHARACTER( 120 ) :: VAR_VALUE\n CHARACTER( 5 ) :: REPLY\n\n CALL GET_ENVIRONMENT_VARIABLE( NAME=VAR_NAME, VALUE= VAR_VALUE, STATUS=STATUS, TRIM_NAME=.TRUE.)\n\n IF( STATUS .LT. 0 ) THEN\n MSG = 'ERROR in environment value for ' // TRIM( VAR_NAME )\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n STATUS = 1\n ELSE IF( STATUS .EQ. 1 )THEN\n STATUS = -1\n GET_ENV_REAL = VAR_DEFAULT\n WRITE(LOGDEV,' (A,ES13.3)')' '\n & // TRIM( VAR_NAME ) // ' is not set.'\n & // ' Using default value of ',VAR_DEFAULT\n ELSE IF( STATUS .GT. 1 )THEN\n STATUS = 1\n MSG = 'ERROR in environment value for ' // TRIM( VAR_NAME )\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n MSG = 'ERROR Processor does not support environment variables '\n WRITE(LOGDEV,'(a)')\n ELSE\n STATUS = 0 \n READ(VAR_VALUE,*)GET_ENV_REAL\n WRITE(MSG,'(a,ES13.3)')' Value for ' // TRIM( VAR_NAME ) // ': ',\n & GET_ENV_REAL\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n END IF\n\n END FUNCTION GET_ENV_REAL\n SUBROUTINE GET_DDMONYY(DATE)\n\n IMPLICIT NONE\n CHARACTER(*), INTENT(INOUT) :: DATE\n\n CHARACTER( 2 ) :: DD\n CHARACTER( 3 ) :: MONS(1:12)\n CHARACTER( 4 ) :: YYYY\n INTEGER :: STIME, VALUES(8)\n\n MONS = (/'Jan','Feb','Mar','Apr','May','Jun',\n & 'Jul','Aug','Sep','Oct','Nov','Dec' /)\n\n CALL DATE_AND_TIME(VALUES=VALUES)\n\n WRITE( DD,'(I2)') VALUES(3)\n! DD = '00' \n WRITE(YYYY,'(I4)') (0 + VALUES(1))\n\n PRINT*,MONS(VALUES(2)) // DD // YYYY(1:4) \n DATE = MONS(VALUES(2)) // ' ' // DD // ', ' // YYYY(1:4)\n\n END SUBROUTINE GET_DDMONYY\n INTEGER FUNCTION NAME_INDEX( NAME, N_NAMES, NAMES )\n IMPLICIT NONE\n \n CHARACTER(*), INTENT( IN ) :: NAME\n CHARACTER(*), INTENT( IN ) :: NAMES( : )\n INTEGER, INTENT( IN ) :: N_NAMES\n\n INTEGER :: N,M\n\n NAME_INDEX = 0\n\n M = SIZE( NAMES )\n IF( M .LT. 1 )RETURN\n\n DO N = 1, M\n IF( NAME .EQ. NAMES( N ) )THEN\n NAME_INDEX = N\n RETURN\n END IF\n END DO\n RETURN\n END FUNCTION NAME_INDEX\n SUBROUTINE GET_ENVLIST ( ENV_VAR, NVARS, VAL_LIST, STATUS )\n\nC get a list env var (quoted string of items delimited by white space,\nC commas or semi-colons) and parse out the items into variables. Two data\nC types: character strings and integers (still represented as strings in\nC the env var vaules).\nC Examples:\nC 1) setenv AVG_CONC_VARS \"O3 NO NO2\"\nC 2) setenv AVG_CONC_LAYS \"2 5\" < start at two, end at 5\nC 3) setenv NPCOLSXNPROWS \"4 3\"\nC 4) setenv BCOL_ECOL \"3 8\"\nC 5) setenv BROW_EROW \"2 10\"\nC 6) setenv BLAY_ELAY \"1 5\"\n\nC In example (1), not only parse out the named items \"O3\", \"NO\" and \"NO2\",\nC but also obtain the count on the number of itmes (=3).\n\n! Revision: 2013/02/11 David Wong: increased the max env var length from 256 to 1000\n! 13 Dec 2013 J.Young: 1000 breaks BUFLEN in IOAPI's envgets.c. Change to 512.\n! 17 Jun 2016 J.Young: IOAPI's envgets.c BUFLEN has been increased to 10000.\n! 20 Jun 2016 J.Young: Forget IOAPI's envgets.c: use Fortran GETENV\n! 16 Mar 2018 B.Hutzell: Removed IOAPI, changed from GOTO to Do loop, and \n! from GETENV to GET_ENVIRONMENT_VARIABLE intrinsic\n IMPLICIT NONE\n \n CHARACTER( * ), INTENT ( IN ) :: ENV_VAR\n INTEGER, INTENT ( OUT ) :: NVARS\n CHARACTER( * ), INTENT ( OUT ) :: VAL_LIST( : )\n INTEGER, INTENT ( OUT ) :: STATUS \n \n INTEGER :: MAX_LEN \n INTEGER :: LEN_EVAL\n CHARACTER( 16 ) :: PNAME = 'GET_ENVLIST'\n CHARACTER( 1 ) :: CHR\n CHARACTER( 132) :: XMSG\n\n CHARACTER( MAX_LEN_WORD*SIZE( VAL_LIST ) ) :: E_VAL\n \n INTEGER :: JP( MAX_LEN_WORD*SIZE( VAL_LIST ) ) \n INTEGER :: KP( MAX_LEN_WORD*SIZE( VAL_LIST ) ) \n INTEGER :: IP, V\n \n MAX_LEN = MAX_LEN_WORD * ( SIZE( VAL_LIST ) + 1 ) ! multiple by 17 to allow deliminator\nC env_var_name\nC | env_var_value\nC | |\n! CALL GETENV( ENV_VAR, E_VAL )\nC env_var_name\nC | env_var_value\nC | |\n CALL GET_ENVIRONMENT_VARIABLE( NAME=ENV_VAR, VALUE=E_VAL, STATUS=STATUS, TRIM_NAME=.TRUE.)\n IF( STATUS .LT. 0 ) THEN\n XMSG = 'ERROR in environment value for ' // TRIM( ENV_VAR )\n WRITE(LOGDEV,'(a)')TRIM( XMSG )\n STATUS = 1\n STOP \n ELSE IF( STATUS .EQ. 1 )THEN\n STATUS = -1\n RETURN\n ELSE IF( STATUS .GT. 1 )THEN\n STATUS = 1\n XMSG = 'ERROR in environment value for ' // TRIM( ENV_VAR )\n WRITE(LOGDEV,'(a)')TRIM( XMSG )\n XMSG = 'ERROR Processor does not support environment variables '\n WRITE(LOGDEV,'(a)')\n STOP\n END IF\n \n IF ( E_VAL .EQ. \" \" ) THEN\n STATUS = 1\n XMSG = 'Environment variable ' // ENV_VAR // ' not set'\n WRITE(LOGDEV,'(A,I8)')TRIM( XMSG ), SIZE( VAL_LIST )\n NVARS = 0\n RETURN\n END IF\n STATUS = 0\n\nC Parse:\n\n NVARS = 0\n\nC don't count until 1st char in string\n \n IP = 0\n KP = 1\n JP = 1\n LEN_EVAL = LEN_TRIM( E_VAL ) \n IF ( LEN_EVAL .GT. MAX_LEN ) THEN\n XMSG = TRIM( PNAME ) // ': The Environment variable, '\n & // TRIM( ENV_VAR ) // ', has too long, greater than ' \n WRITE(LOGDEV,'(A,I8)')TRIM( XMSG ), MAX_LEN\n STOP\n END IF\n101 LOOP_101: DO ! read list\n IP = IP + 1\n IF ( IP .GT. LEN_EVAL ) EXIT LOOP_101\n CHR = E_VAL( IP:IP )\n IF ( CHR .EQ. ' ' .OR. ICHAR ( CHR ) .EQ. 09 ) CYCLE LOOP_101\n IF( NVARS .GT. SIZE( VAL_LIST ) )THEN\n XMSG = TRIM( PNAME ) // ':ERROR: Number of values in List, ' \n & // TRIM( ENV_VAR ) \n & // ', greater than the size of its storage array, '\n WRITE(LOGDEV,'(A,I4)')TRIM( XMSG ), SIZE( VAL_LIST )\n STOP \n END IF\n NVARS = NVARS + 1\n JP( NVARS ) = IP ! 1st char\n IF( IP .EQ. LEN_EVAL )THEN ! word one character long \n KP( NVARS ) = IP\n V = 1\n EXIT LOOP_101\n END IF \n201 LOOP_201: DO ! read word\n IP = IP + 1\n CHR = E_VAL( IP:IP )\n IF ( CHR .NE. ' ' .AND.\n & CHR .NE. ',' .AND.\n & CHR .NE. ';' .OR.\n & ICHAR ( CHR ) .EQ. 09 ) THEN ! 09 = horizontal tab\n CYCLE LOOP_201\n ELSE ! last char in word\n KP( NVARS ) = IP - 1 \n V = JP( NVARS ) - IP\n IF( V .GT. MAX_LEN_WORD )THEN\n XMSG = 'The word, ' // E_VAL( JP(NVARS):KP(NVARS) ) \n & // ', in environment list, ' // TRIM( ENV_VAR )\n & // ', is too long, '\n WRITE(LOGDEV,'(A,1X,I2,A,I2)')TRIM( XMSG ), V, ' max allowed ',\n & MAX_LEN_WORD\n STOP \n END IF\n EXIT LOOP_201\n END IF \n IF ( IP .GE. LEN_EVAL ) EXIT LOOP_101\n END DO LOOP_201\n END DO LOOP_101\n \n IF( NVARS .GT. SIZE( VAL_LIST ) )THEN\n XMSG = TRIM( PNAME ) // ':ERROR: Number of values in List, ' \n & // TRIM( ENV_VAR ) // ', greater than '\n WRITE(LOGDEV,'(A,I4)')TRIM( XMSG ), SIZE( VAL_LIST )\n STOP \n END IF\n DO V = 1, NVARS\n VAL_LIST( V ) = E_VAL( JP( V ):KP( V ) )\n END DO\n\n RETURN \n END SUBROUTINE GET_ENVLIST \n END MODULE GET_ENV_FUNCTIONS\n" }, { "path": "UTIL/create_ebi/src/module_envvar.F", "content": "\n MODULE ENV_VARS\n\n USE GET_ENV_FUNCTIONS ! routines that retrieve environment data\n\n IMPLICIT NONE\n \n CHARACTER( 15 ) :: CR_DATE ! Run date\n! CHARACTER( 16 ) :: AE_TAG ! aerosol name used in MECHNAME\n! CHARACTER( 16 ) :: GC_TAG ! gas chem name used in MECHNAME\n! CHARACTER( 16 ) :: AQ_TAG ! aq chem name used in MECHNAME\n\n CHARACTER( 16 ) :: MECH_NO ! Mech name for NO\n CHARACTER( 16 ) :: MECH_NO2 ! Mech name for NO2\n CHARACTER( 16 ) :: MECH_O3 ! Mech name for O3\n CHARACTER( 16 ) :: MECH_O3P ! Mech name for O3P\n CHARACTER( 16 ) :: MECH_O1D ! Mech name for O1D\n CHARACTER( 16 ) :: MECH_OH ! Mech name for OH\n CHARACTER( 16 ) :: MECH_HO2 ! Mech name for HO2\n CHARACTER( 16 ) :: MECH_HONO ! Mech name for HONO\n CHARACTER( 16 ) :: MECH_HNO4 ! Mech name for HNO4\n CHARACTER( 16 ) :: MECH_PAN ! Mech name for PAN\n CHARACTER( 16 ) :: MECH_C2O3 ! Mech name for C2O3\n CHARACTER( 16 ) :: MECH_N2O5 ! Mech name for N2O5\n CHARACTER( 16 ) :: MECH_NO3 ! Mech name for NO3\n CHARACTER( 16 ) :: MECH_NO2EX = 'NO2EX' ! Mech name for NO2EX\n\n CHARACTER( 586 ) :: OUTPATH ! Output directory\n CHARACTER( 586 ) :: TMPLPATH ! Output directory\n \n LOGICAL :: L_ALL_MECHS ! Flag for all mechs (F=1 mech)\n\n LOGICAL :: LWR_COPY ! Flag to include copyright notice\n LOGICAL :: LWR_CVS_HDR ! Flag to include CVS headr line\n LOGICAL :: LPAR_NEG ! Flag for negative PAR stoich (cb4)\n LOGICAL :: LNO2EX_CYCLE ! Flag for to include NO2EX cycle in groups 1 & 2\n LOGICAL :: LDEGRADE_SUBS ! Flag for include degrade codes for HAPs\n\n REAL :: TIME_STEP = 2.5 ! maximum solver time step in minutes\n \n INTEGER, PARAMETER :: LOGDEV = 6\n \n CONTAINS\n\n SUBROUTINE GET_ENVS\nC*************************************************************************\nC\nC FUNCTION: Gets environment variables\nC \nC PRECONDITIONS: None\nC \nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by Jerry Gipson, February, 2004\nC Modified Nov 04 by JG to get group species names\nC vi environment variables\nC Modified Dec 09 by JG to remove reset of LERROR to\nC false for each species name retrieval\nC Modified Dec 09 by JG to allow for inclusion\nC of NO2EX cycle in Groups 1 and 2\nC \nC*************************************************************************\n\n IMPLICIT NONE\n\nC..INCLUDES: None\n \nC..ARGUMENTS: None\n \nC..PARAMETERS: None\n\nC..EXTERNAL FUNCTIONS: None\n\nC..SAVED LOCAL VARIABLES: None\n\nC..SCRATCH LOCAL VARIABLES:\n\n CHARACTER( 16 ) :: PNAME = 'GET_ENVS' ! Program Name\n\n CHARACTER( 5 ) :: TZ ! Time zone\n CHARACTER( 16 ) :: ENV_DFLT ! Environment variable default value\n CHARACTER( 24 ) :: TIMNDAT ! Wall clock time and date\n CHARACTER( 80 ) :: ENV_DESC ! Environment variable description\n CHARACTER( 80 ) :: MSG ! Message text\n CHARACTER( 256 ) :: RET_VAL ! Returned value of env var\n\nc........env var names \n CHARACTER( 16 ) :: ALL_MECHS = 'ALL_MECHS'\n CHARACTER( 16 ) :: GC_NAME = 'GC_NAME'\n CHARACTER( 16 ) :: AE_NAME = 'AE_NAME'\n CHARACTER( 16 ) :: AQ_NAME = 'AQ_NAME'\n CHARACTER( 16 ) :: OUTDIR = 'OUTDIR'\n CHARACTER( 16 ) :: TMPLDIR = 'TMPLDIR'\n CHARACTER( 16 ) :: COPYRT_FLAG = 'COPYRT_FLAG'\n CHARACTER( 16 ) :: CVS_HDR_FLAG = 'CVS_HDR_FLAG'\n CHARACTER( 16 ) :: PAR_NEG_FLAG = 'PAR_NEG_FLAG'\n CHARACTER( 16 ) :: NO2EX_FLAG = 'NO2EX_CYCLE'\n CHARACTER( 16 ) :: DEGRADE_SUBS = 'DEGRADE_SUBS'\n CHARACTER( 16 ) :: SOLVER_DELT = 'SOLVER_DELT'\n\n INTEGER :: EPOS ! String end position\n INTEGER :: STATUS ! Status code\n INTEGER :: IDATE ! Wall-clock date\n INTEGER :: ITIME ! Wall clock time\n\n LOGICAL :: LERROR ! Error Flag\n\n REAL :: DELT \nC**********************************************************************\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get the time and date to be used as the time stamp for all outputs;\nc Convert from GMT to EDT or EST\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n CALL GET_DDMONYY(CR_DATE)\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get flags for versions of mechanism to create\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n L_ALL_MECHS = .FALSE.\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get names to use for the mechanism\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n! ENV_DFLT = ' '\n! ENV_DESC = 'gas mechanism name' \n! CALL GET_ENV_STRING( GC_NAME, ENV_DESC, ENV_DFLT, GC_TAG, STATUS )\n! IF( STATUS .NE. 0 .AND. LEN(GC_TAG) .GT. 1 ) THEN\n! MSG = TRIM( PNAME ) // ': Gas phase mechanism not defined' \n! WRITE(LOGDEV,'(a)')TRIM( MSG )\n! STOP\n! END IF\n\n! ENV_DFLT = ' '\n! ENV_DESC = 'aerosol mechanism name' \n! CALL GET_ENV_STRING( AE_NAME, ENV_DESC, ENV_DFLT, AE_TAG, STATUS )\n! IF( STATUS .NE. 0 .AND. LEN(AE_TAG) .GT. 1 ) THEN\n! MSG = TRIM( PNAME ) // ': Aerosol phase mechanism not defined' \n! WRITE(LOGDEV,'(a)')TRIM( MSG )\n! STOP\n! END IF\n\n! ENV_DFLT = ' '\n! ENV_DESC = 'aq chem mechanism name' \n! CALL GET_ENV_STRING( AQ_NAME, ENV_DESC, ENV_DFLT, AQ_TAG, STATUS )\n! IF( STATUS .NE. 0 .AND. LEN(AQ_TAG) .GT. 1 ) THEN\n! MSG = TRIM( PNAME ) // ': Aqueous phase mechanism not defined' \n! WRITE(LOGDEV,'(a)')TRIM( MSG )\n! STOP\n! END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get the name of the output directory and template directory\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n ENV_DFLT = './output'\n ENV_DESC = 'Output directory' \n CALL GET_ENV_STRING( OUTDIR, ENV_DESC, ENV_DFLT, OUTPATH, STATUS)\n\n IF( STATUS .GT. 0 ) THEN\n MSG = 'ERROR: no path assigned to OUTDIR'\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n END IF\n\n ENV_DFLT = './tmpldir'\n ENV_DESC = 'Template directory' \n CALL GET_ENV_STRING( TMPLDIR, ENV_DESC, ENV_DFLT, TMPLPATH, STATUS)\n\n IF( STATUS .NE. 0 ) THEN\n MSG = 'ERROR: no path assigned to TMPLDIR'\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get the flags for writing copyright and CVS header\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n LWR_COPY = .FALSE.\n! ENV_DESC = 'Flag to write copyright notice'\n! LWR_COPY = GET_ENV_FLAG( COPYRT_FLAG, ENV_DESC, LWR_COPY, STATUS )\n\n LWR_CVS_HDR = .FALSE.\n! ENV_DESC = 'Flag to write cvs hear notice'\n! LWR_CVS_HDR = GET_ENV_FLAG( CVS_HDR_FLAG, ENV_DESC, LWR_CVS_HDR, STATUS )\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get the flag for including PAR negative stoichiometry\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n LPAR_NEG = .FALSE.\n ENV_DESC = 'Flag to include PAR negative stoichiometry'\n LPAR_NEG = GET_ENV_FLAG( PAR_NEG_FLAG, ENV_DESC, LPAR_NEG, STATUS )\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get the flag for including Degradation routines\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n LDEGRADE_SUBS = .FALSE.\n ENV_DESC = 'Flag to include call to HAPs degradation routines'\n LDEGRADE_SUBS = GET_ENV_FLAG( DEGRADE_SUBS, ENV_DESC, LDEGRADE_SUBS, STATUS )\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get the flag for including NO2EX in groups 1 and 2\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n LNO2EX_CYCLE = .FALSE.\n! ENV_DESC = 'Flag to include PAR negative stoichiometry'\n! LNO2EX_CYCLE = GET_ENV_FLAG( NO2EX_FLAG, ENV_DESC, LNO2EX_CYCLE, STATUS )\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get the value for maximum solver timestep\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n ENV_DESC = 'Maximum EBI Solver TimeStep (minutes)'\n TIME_STEP = GET_ENV_REAL( SOLVER_DELT, ENV_DESC, TIME_STEP, STATUS )\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get the mechanism names for group species\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n LERROR = .FALSE.\n\nc..Group 1 species\n ENV_DFLT = ' '\n ENV_DESC = 'Mechanism name for nitrogen dioxide (NO2)' \n CALL GET_ENV_STRING( 'MECH_NO2', ENV_DESC, ENV_DFLT, MECH_NO2, STATUS)\n\n IF( STATUS .NE. 0 ) THEN\n MSG = 'ERROR: Environment variable MECH_NO2 not found'\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n LERROR = .TRUE.\n END IF\n\nc LERROR = .FALSE.\n ENV_DFLT = ' '\n ENV_DESC = 'Mechanism name for nitric oxide (NO)' \n CALL GET_ENV_STRING( 'MECH_NO', ENV_DESC, ENV_DFLT, MECH_NO, STATUS)\n\n IF( STATUS .NE. 0 ) THEN\n MSG = 'ERROR: Environment variable MECH_NO not found'\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n LERROR = .TRUE.\n END IF\n\n\nc LERROR = .FALSE.\n ENV_DFLT = ' '\n ENV_DESC = 'Mechanism name for ozone (O3)' \n CALL GET_ENV_STRING( 'MECH_O3', ENV_DESC, ENV_DFLT, MECH_O3, STATUS)\n\n IF( STATUS .NE. 0 ) THEN\n MSG = 'ERROR: Environment variable MECH_O3 not found'\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n LERROR = .TRUE.\n END IF\n\nc LERROR = .FALSE.\n ENV_DFLT = ' '\n ENV_DESC = 'Mechanism name for excited-state atomic oxygen (O1D)'\n CALL GET_ENV_STRING( 'MECH_O1D', ENV_DESC, ENV_DFLT, MECH_O1D, STATUS)\n\n IF( STATUS .NE. 0 ) THEN\n MSG = 'ERROR: Environment variable MECH_O1D not found'\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n LERROR = .TRUE.\n END IF\n\nc LERROR = .FALSE.\n ENV_DFLT = ' '\n ENV_DESC = 'Mechanism name for ground-state atomic oxygen (O3P)'\n CALL GET_ENV_STRING( 'MECH_O3P', ENV_DESC, ENV_DFLT, MECH_O3P, STATUS)\n\n IF( STATUS .NE. 0 ) THEN\n MSG = 'ERROR: Environment variable MECH_O3P not found'\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n LERROR = .TRUE.\n END IF\n\n! IF( LNO2EX_CYCLE ) THEN\n! ENV_DFLT = ' '\n! ENV_DESC = 'Mechanism name for excited NO2 oxygen (NO2EX)'\n! CALL GET_ENV_STRING( 'MECH_NO2EX', ENV_DESC, ENV_DFLT, MECH_NO2EX, STATUS)\n!\n! IF( STATUS .NE. 0 ) THEN\n! MSG = 'ERROR: Environment variable MECH_NO2EX not found'\n! WRITE(LOGDEV,'(a)')TRIM( MSG )\n! LERROR = .TRUE.\n! END IF\n! END IF\n\n\nc..Group 2 species\nc LERROR = .FALSE.\n ENV_DFLT = ' '\n ENV_DESC = 'Mechanism name for hydroxyl radical (OH)'\n CALL GET_ENV_STRING( 'MECH_OH', ENV_DESC, ENV_DFLT, MECH_OH, STATUS)\n\n IF( STATUS .NE. 0 ) THEN\n MSG = 'ERROR: Environment variable MECH_OH not found'\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n LERROR = .TRUE.\n END IF\n\nc LERROR = .FALSE.\n ENV_DFLT = ' '\n ENV_DESC = 'Mechanism name for hydroperoxy radical (HO2)'\n CALL GET_ENV_STRING( 'MECH_HO2', ENV_DESC, ENV_DFLT, MECH_HO2, STATUS)\n\n IF( STATUS .NE. 0 ) THEN\n MSG = 'ERROR: Environment variable MECH_HO2 not found'\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n LERROR = .TRUE.\n END IF\n\nc LERROR = .FALSE.\n ENV_DFLT = ' '\n ENV_DESC = 'Mechanism name for nitrous acid (HONO)'\n CALL GET_ENV_STRING( 'MECH_HONO', ENV_DESC, ENV_DFLT, MECH_HONO, STATUS)\n\n IF( STATUS .NE. 0 ) THEN\n MSG = 'ERROR: Environment variable MECH_HONO not found'\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n LERROR = .TRUE.\n END IF\n\nc LERROR = .FALSE.\n ENV_DFLT = ' '\n ENV_DESC = 'Mechanism name for pernitric acid (HNO4)'\n CALL GET_ENV_STRING( 'MECH_HNO4', ENV_DESC, ENV_DFLT, MECH_HNO4, STATUS)\n\n IF( STATUS .NE. 0 ) THEN\n MSG = 'ERROR: Environment variable MECH_HNO4 not found'\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n LERROR = .TRUE.\n END IF\n\nc..Group 3 species\nc LERROR = .FALSE.\n ENV_DFLT = ' '\n ENV_DESC = 'Mechanism name for peroxy acetyl nitrate (PAN)'\n CALL GET_ENV_STRING( 'MECH_PAN', ENV_DESC, ENV_DFLT, MECH_PAN, STATUS)\n\n IF( STATUS .NE. 0 ) THEN\n MSG = 'ERROR: Environment variable MECH_PAN not found'\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n LERROR = .TRUE.\n END IF\n\nc LERROR = .FALSE.\n ENV_DFLT = ' '\n ENV_DESC = 'Mechanism name for acetyl percoxy radical (C2O3)'\n CALL GET_ENV_STRING( 'MECH_C2O3', ENV_DESC, ENV_DFLT, MECH_C2O3, STATUS)\n\n IF( STATUS .NE. 0 ) THEN\n MSG = 'ERROR: Environment variable MECH_C2O3 not found'\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n LERROR = .TRUE.\n END IF\n\nc..Group 4 species\nc LERROR = .FALSE.\n ENV_DFLT = ' '\n ENV_DESC = 'Mechanism name for nitrate radical (NO3)'\n CALL GET_ENV_STRING( 'MECH_NO3', ENV_DESC, ENV_DFLT, MECH_NO3, STATUS)\n\n IF( STATUS .NE. 0 ) THEN\n MSG = 'ERROR: Environment variable MECH_NO3 not found'\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n LERROR = .TRUE.\n END IF\n\nc LERROR = .FALSE.\n ENV_DFLT = ' '\n ENV_DESC = 'Mechanism name for nitrogen pentoxide (N2O5)'\n CALL GET_ENV_STRING( 'MECH_N2O5', ENV_DESC, ENV_DFLT, MECH_N2O5, STATUS)\n\n IF( STATUS .NE. 0 ) THEN\n MSG = 'ERROR: Environment variable MECH_N2O5 not found'\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n LERROR = .TRUE.\n END IF\n\n IF( LERROR ) THEN\n MSG = TRIM( PNAME ) // ': Stopping because of error in defining group species'\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n STOP\n END IF\n\n\n RETURN\n\n92000 FORMAT( /2X, 'The following mechanism versions will be created:' \n & / A / 1X )\n\n END SUBROUTINE GET_ENVS\n END MODULE ENV_VARS\n" }, { "path": "UTIL/create_ebi/src/module_envvar_new.F", "content": "\n MODULE ENV_VARS\n\n IMPLICIT NONE\n \n CHARACTER( 15 ) :: CR_DATE ! Run date\n CHARACTER( 16 ) :: AE_TAG ! aerosol name used in MECHNAME\n CHARACTER( 16 ) :: GC_TAG ! gas chem name used in MECHNAME\n CHARACTER( 16 ) :: AQ_TAG ! aq chem name used in MECHNAME\n\n CHARACTER( 16 ) :: MECH_NO ! Mech name for NO\n CHARACTER( 16 ) :: MECH_NO2 ! Mech name for NO2\n CHARACTER( 16 ) :: MECH_O3 ! Mech name for O3\n CHARACTER( 16 ) :: MECH_O3P ! Mech name for O3P\n CHARACTER( 16 ) :: MECH_O1D ! Mech name for O1D\n CHARACTER( 16 ) :: MECH_OH ! Mech name for OH\n CHARACTER( 16 ) :: MECH_HO2 ! Mech name for HO2\n CHARACTER( 16 ) :: MECH_HONO ! Mech name for HONO\n CHARACTER( 16 ) :: MECH_HNO4 ! Mech name for HNO4\n CHARACTER( 16 ) :: MECH_PAN ! Mech name for PAN\n CHARACTER( 16 ) :: MECH_C2O3 ! Mech name for C2O3\n CHARACTER( 16 ) :: MECH_N2O5 ! Mech name for N2O5\n CHARACTER( 16 ) :: MECH_NO3 ! Mech name for NO3\n CHARACTER( 16 ) :: MECH_NO2EX ! Mech name for NO2EX\n\n CHARACTER( 256 ) :: OUTPATH ! Output directory\n CHARACTER( 256 ) :: TMPLPATH ! Output directory\n \n LOGICAL :: L_ALL_MECHS ! Flag for all mechs (F=1 mech)\n\n LOGICAL :: LWR_COPY ! Flag to include copyright notice\n LOGICAL :: LWR_CVS_HDR ! Flag to include CVS headr line\n LOGICAL :: LPAR_NEG ! Flag for negative PAR stoich (cb4)\n LOGICAL :: LNO2EX_CYCLE ! Flag for to include NO2EX cycle in groups 1 & 2\n\n\n CONTAINS\n\n SUBROUTINE GET_ENVS\nC*************************************************************************\nC\nC FUNCTION: Gets environment variables\nC \nC PRECONDITIONS: None\nC \nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by Jerry Gipson, February, 2004\nC Modified Nov 04 by JG to get group species names\nC vi environment variables\nC Modified Dec 09 by JG to remove reset of LERROR to\nC false for each species name retrieval\nC Modified Dec 09 by JG to allow for inclusion\nC of NO2EX cycle in Groups 1 and 2\nC \nC*************************************************************************\n\n IMPLICIT NONE\n\nC..INCLUDES: \n INCLUDE SUBST_IOPARMS ! IOAPI parameters\n INCLUDE SUBST_IODECL ! IOAPI declarations\n \nC..ARGUMENTS: None\n \nC..PARAMETERS: None\n\nC..EXTERNAL FUNCTIONS:\n CHARACTER*24 DT2STR ! Function to get character date and time\n INTEGER ENVINT ! get value of integer environment variable\n LOGICAL ENVYN ! get value of logical environment variable\n LOGICAL ISDSTIME ! True if DST in effect\n\n\nC..SAVED LOCAL VARIABLES: None\n\nC..SCRATCH LOCAL VARIABLES:\n\n CHARACTER( 16 ) :: PNAME = 'GET_ENVS' ! Program Name\n\n CHARACTER( 5 ) :: TZ ! Time zone\n CHARACTER( 16 ) :: ENV_DFLT ! Environment variable default value\n CHARACTER( 24 ) :: TIMNDAT ! Wall clock time and date\n CHARACTER( 80 ) :: ENV_DESC ! Environment variable description\n CHARACTER( 80 ) :: MSG ! Message text\n CHARACTER( 256 ) :: RET_VAL ! Returned value of env var\n\nc........env var names \n CHARACTER( 16 ) :: ALL_MECHS = 'ALL_MECHS'\n CHARACTER( 16 ) :: GC_NAME = 'GC_NAME'\n CHARACTER( 16 ) :: AE_NAME = 'AE_NAME'\n CHARACTER( 16 ) :: AQ_NAME = 'AQ_NAME'\n CHARACTER( 16 ) :: OUTDIR = 'OUTDIR'\n CHARACTER( 16 ) :: TMPLDIR = 'TMPLDIR'\n CHARACTER( 16 ) :: COPYRT_FLAG = 'COPYRT_FLAG'\n CHARACTER( 16 ) :: CVS_HDR_FLAG = 'CVS_HDR_FLAG'\n CHARACTER( 16 ) :: PAR_NEG_FLAG = 'PAR_NEG_FLAG'\n CHARACTER( 16 ) :: NO2EX_FLAG = 'NO2EX_CYCLE'\n\n INTEGER :: EPOS ! String end position\n INTEGER :: LOGDEV ! Unit no. for output log\n INTEGER :: STATUS ! Status code\n INTEGER :: IDATE ! Wall-clock date\n INTEGER :: ITIME ! Wall clock time\n\n LOGICAL :: LERROR ! Error Flag\n\n\nC**********************************************************************\n\n LOGDEV = INIT3()\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get the time and date to be used as the time stamp for all outputs;\nc Convert from GMT to EDT or EST\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n CALL GETDTTIME( IDATE, ITIME )\n\nc..glg work around on 3/19/09\nc IF( ISDSTIME( IDATE ) ) THEN\nc CALL NEXTIME( IDATE, ITIME, -40000 )\nc TZ = ' EDT '\nc ELSE\nc CALL NEXTIME( IDATE, ITIME, -50000 )\nc TZ = ' EST '\nc END IF\n\n CALL NEXTIME( IDATE, ITIME, -40000 )\n TZ = ' EDT'\nc..glg work around on 3/19/09\n\n TIMNDAT = DT2STR( IDATE, ITIME )\n CR_DATE = ADJUSTL( TIMNDAT( 10 : 24 ) )\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get flags for versions of mechanism to create\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n L_ALL_MECHS = .TRUE.\n ENV_DESC = 'Flag do all mechanisms or one'\n L_ALL_MECHS = ENVYN( ALL_MECHS, ENV_DESC, L_ALL_MECHS, STATUS )\n\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get names to use for the mechanism\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n ENV_DFLT = ' '\n ENV_DESC = 'gas mechanism name' \n CALL ENVSTR( GC_NAME, ENV_DESC, ENV_DFLT, GC_TAG, STATUS )\n IF( STATUS .NE. 0 ) THEN\n MSG = 'Gas phase mechanism not defined' \n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n\n ENV_DFLT = ' '\n ENV_DESC = 'aerosol mechanism name' \n CALL ENVSTR( AE_NAME, ENV_DESC, ENV_DFLT, AE_TAG, STATUS )\n IF( STATUS .NE. 0 ) THEN\n MSG = 'Aerosol phase mechanism not defined' \n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n\n ENV_DFLT = ' '\n ENV_DESC = 'aq chem mechanism name' \n CALL ENVSTR( AQ_NAME, ENV_DESC, ENV_DFLT, AQ_TAG, STATUS )\n IF( STATUS .NE. 0 ) THEN\n MSG = 'Aerosol phase mechanism not defined' \n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get the name of the output directory and template directory\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n ENV_DFLT = './output'\n ENV_DESC = 'Output directory' \n CALL ENVSTR( OUTDIR, ENV_DESC, ENV_DFLT, OUTPATH, STATUS)\n\n IF( STATUS .NE. 0 ) THEN\n MSG = 'ERROR: no path assigned to OUTDIR'\n CALL M3MESG( MSG )\n END IF\n\n ENV_DFLT = './tmpldir'\n ENV_DESC = 'Template directory' \n CALL ENVSTR( TMPLDIR, ENV_DESC, ENV_DFLT, TMPLPATH, STATUS)\n\n IF( STATUS .NE. 0 ) THEN\n MSG = 'ERROR: no path assigned to TMPLDIR'\n CALL M3MESG( MSG )\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get the flags for writing copyright and CVS header\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n LWR_COPY = .FALSE.\n ENV_DESC = 'Flag to write copyright notice'\n LWR_COPY = ENVYN( COPYRT_FLAG, ENV_DESC, LWR_COPY, STATUS )\n\n LWR_CVS_HDR = .FALSE.\n ENV_DESC = 'Flag to write copyright notice'\n LWR_CVS_HDR = ENVYN( CVS_HDR_FLAG, ENV_DESC, LWR_CVS_HDR, STATUS )\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get the flag for including PAR negative stoichiometry\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n LPAR_NEG = .FALSE.\n ENV_DESC = 'Flag to include PAR negative stoichiometry'\n LPAR_NEG = ENVYN( PAR_NEG_FLAG, ENV_DESC, LPAR_NEG, STATUS )\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get the flag for including NO2EX in groups 1 and 2\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n LNO2EX_CYCLE = .FALSE.\n ENV_DESC = 'Flag to include PAR negative stoichiometry'\n LNO2EX_CYCLE = ENVYN( NO2EX_FLAG, ENV_DESC, LNO2EX_CYCLE, STATUS )\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get the mechanism names for group species\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n LERROR = .FALSE.\n\nc..Group 1 species\n ENV_DFLT = ' '\n ENV_DESC = 'Mechanism name for nitrogen dioxide (NO2)' \n CALL ENVSTR( 'MECH_NO2', ENV_DESC, ENV_DFLT, MECH_NO2, STATUS)\n\n IF( STATUS .NE. 0 ) THEN\n MSG = 'ERROR: Environment variable MECH_NO2 not found'\n CALL M3MESG( MSG )\n LERROR = .TRUE.\n END IF\n\nc LERROR = .FALSE.\n ENV_DFLT = ' '\n ENV_DESC = 'Mechanism name for nitric oxide (NO)' \n CALL ENVSTR( 'MECH_NO', ENV_DESC, ENV_DFLT, MECH_NO, STATUS)\n\n IF( STATUS .NE. 0 ) THEN\n MSG = 'ERROR: Environment variable MECH_NO not found'\n CALL M3MESG( MSG )\n LERROR = .TRUE.\n END IF\n\n\nc LERROR = .FALSE.\n ENV_DFLT = ' '\n ENV_DESC = 'Mechanism name for ozone (O3)' \n CALL ENVSTR( 'MECH_O3', ENV_DESC, ENV_DFLT, MECH_O3, STATUS)\n\n IF( STATUS .NE. 0 ) THEN\n MSG = 'ERROR: Environment variable MECH_O3 not found'\n CALL M3MESG( MSG )\n LERROR = .TRUE.\n END IF\n\nc LERROR = .FALSE.\n ENV_DFLT = ' '\n ENV_DESC = 'Mechanism name for excited-state atomic oxygen (O1D)'\n CALL ENVSTR( 'MECH_O1D', ENV_DESC, ENV_DFLT, MECH_O1D, STATUS)\n\n IF( STATUS .NE. 0 ) THEN\n MSG = 'ERROR: Environment variable MECH_O1D not found'\n CALL M3MESG( MSG )\n LERROR = .TRUE.\n END IF\n\nc LERROR = .FALSE.\n ENV_DFLT = ' '\n ENV_DESC = 'Mechanism name for ground-state atomic oxygen (O3P)'\n CALL ENVSTR( 'MECH_O3P', ENV_DESC, ENV_DFLT, MECH_O3P, STATUS)\n\n IF( STATUS .NE. 0 ) THEN\n MSG = 'ERROR: Environment variable MECH_O3P not found'\n CALL M3MESG( MSG )\n LERROR = .TRUE.\n END IF\n\n IF( LNO2EX_CYCLE ) THEN\n ENV_DFLT = ' '\n ENV_DESC = 'Mechanism name for excited NO2 oxygen (NO2EX)'\n CALL ENVSTR( 'MECH_NO2EX', ENV_DESC, ENV_DFLT, MECH_NO2EX, STATUS)\n\n IF( STATUS .NE. 0 ) THEN\n MSG = 'ERROR: Environment variable MECH_NO2EX not found'\n CALL M3MESG( MSG )\n LERROR = .TRUE.\n END IF\n END IF\n\n\nc..Group 2 species\nc LERROR = .FALSE.\n ENV_DFLT = ' '\n ENV_DESC = 'Mechanism name for hydroxyl radical (OH)'\n CALL ENVSTR( 'MECH_OH', ENV_DESC, ENV_DFLT, MECH_OH, STATUS)\n\n IF( STATUS .NE. 0 ) THEN\n MSG = 'ERROR: Environment variable MECH_OH not found'\n CALL M3MESG( MSG )\n LERROR = .TRUE.\n END IF\n\nc LERROR = .FALSE.\n ENV_DFLT = ' '\n ENV_DESC = 'Mechanism name for hydroperoxy radical (HO2)'\n CALL ENVSTR( 'MECH_HO2', ENV_DESC, ENV_DFLT, MECH_HO2, STATUS)\n\n IF( STATUS .NE. 0 ) THEN\n MSG = 'ERROR: Environment variable MECH_HO2 not found'\n CALL M3MESG( MSG )\n LERROR = .TRUE.\n END IF\n\nc LERROR = .FALSE.\n ENV_DFLT = ' '\n ENV_DESC = 'Mechanism name for nitrous acid (HONO)'\n CALL ENVSTR( 'MECH_HONO', ENV_DESC, ENV_DFLT, MECH_HONO, STATUS)\n\n IF( STATUS .NE. 0 ) THEN\n MSG = 'ERROR: Environment variable MECH_HONO not found'\n CALL M3MESG( MSG )\n LERROR = .TRUE.\n END IF\n\nc LERROR = .FALSE.\n ENV_DFLT = ' '\n ENV_DESC = 'Mechanism name for pernitric acid (HNO4)'\n CALL ENVSTR( 'MECH_HNO4', ENV_DESC, ENV_DFLT, MECH_HNO4, STATUS)\n\n IF( STATUS .NE. 0 ) THEN\n MSG = 'ERROR: Environment variable MECH_HNO4 not found'\n CALL M3MESG( MSG )\n LERROR = .TRUE.\n END IF\n\nc..Group 3 species\nc LERROR = .FALSE.\n ENV_DFLT = ' '\n ENV_DESC = 'Mechanism name for peroxy acetyl nitrate (PAN)'\n CALL ENVSTR( 'MECH_PAN', ENV_DESC, ENV_DFLT, MECH_PAN, STATUS)\n\n IF( STATUS .NE. 0 ) THEN\n MSG = 'ERROR: Environment variable MECH_PAN not found'\n CALL M3MESG( MSG )\n LERROR = .TRUE.\n END IF\n\nc LERROR = .FALSE.\n ENV_DFLT = ' '\n ENV_DESC = 'Mechanism name for acetyl percoxy radical (C2O3)'\n CALL ENVSTR( 'MECH_C2O3', ENV_DESC, ENV_DFLT, MECH_C2O3, STATUS)\n\n IF( STATUS .NE. 0 ) THEN\n MSG = 'ERROR: Environment variable MECH_C2O3 not found'\n CALL M3MESG( MSG )\n LERROR = .TRUE.\n END IF\n\nc..Group 4 species\nc LERROR = .FALSE.\n ENV_DFLT = ' '\n ENV_DESC = 'Mechanism name for nitrate radical (NO3)'\n CALL ENVSTR( 'MECH_NO3', ENV_DESC, ENV_DFLT, MECH_NO3, STATUS)\n\n IF( STATUS .NE. 0 ) THEN\n MSG = 'ERROR: Environment variable MECH_NO3 not found'\n CALL M3MESG( MSG )\n LERROR = .TRUE.\n END IF\n\nc LERROR = .FALSE.\n ENV_DFLT = ' '\n ENV_DESC = 'Mechanism name for nitrogen pentoxide (N2O5)'\n CALL ENVSTR( 'MECH_N2O5', ENV_DESC, ENV_DFLT, MECH_N2O5, STATUS)\n\n IF( STATUS .NE. 0 ) THEN\n MSG = 'ERROR: Environment variable MECH_N2O5 not found'\n CALL M3MESG( MSG )\n LERROR = .TRUE.\n END IF\n\n IF( LERROR ) THEN\n MSG = 'Stopping because of error in defining group species'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n\n\n RETURN\n\n92000 FORMAT( /2X, 'The following mechanism versions will be created:' \n & / A / 1X )\n\n END SUBROUTINE GET_ENVS\n\n END MODULE ENV_VARS\n" }, { "path": "UTIL/create_ebi/src/module_envvar_test.F", "content": "\n MODULE ENV_VARS\n\n IMPLICIT NONE\n \n CHARACTER( 15 ) :: CR_DATE ! Run date\n CHARACTER( 16 ) :: AE_TAG ! aerosol name used in MECHNAME\n CHARACTER( 16 ) :: GC_TAG ! gas chem name used in MECHNAME\n CHARACTER( 16 ) :: AQ_TAG ! aq chem name used in MECHNAME\n\n CHARACTER( 16 ) :: MECH_NO ! Mech name for NO\n CHARACTER( 16 ) :: MECH_NO2 ! Mech name for NO2\n CHARACTER( 16 ) :: MECH_O3 ! Mech name for O3\n CHARACTER( 16 ) :: MECH_O3P ! Mech name for O3P\n CHARACTER( 16 ) :: MECH_O1D ! Mech name for O1D\n CHARACTER( 16 ) :: MECH_OH ! Mech name for OH\n CHARACTER( 16 ) :: MECH_HO2 ! Mech name for HO2\n CHARACTER( 16 ) :: MECH_HONO ! Mech name for HONO\n CHARACTER( 16 ) :: MECH_HNO4 ! Mech name for HNO4\n CHARACTER( 16 ) :: MECH_PAN ! Mech name for PAN\n CHARACTER( 16 ) :: MECH_C2O3 ! Mech name for C2O3\n CHARACTER( 16 ) :: MECH_N2O5 ! Mech name for N2O5\n CHARACTER( 16 ) :: MECH_NO3 ! Mech name for NO3\n CHARACTER( 16 ) :: MECH_NO2EX ! Mech name for NO2EX\n\n CHARACTER( 256 ) :: OUTPATH ! Output directory\n CHARACTER( 256 ) :: TMPLPATH ! Output directory\n \n LOGICAL :: L_ALL_MECHS ! Flag for all mechs (F=1 mech)\n\n LOGICAL :: LWR_COPY ! Flag to include copyright notice\n LOGICAL :: LWR_CVS_HDR ! Flag to include CVS headr line\n LOGICAL :: LPAR_NEG ! Flag for negative PAR stoich (cb4)\n LOGICAL :: LNO2EX_CYCLE ! Flag for to include NO2EX cycle in groups 1 & 2\n LOGICAL :: LDEGRADE_SUBS ! Flag for include degrade codes for HAPs\n\n\n CONTAINS\n\n SUBROUTINE GET_ENVS\nC*************************************************************************\nC\nC FUNCTION: Gets environment variables\nC \nC PRECONDITIONS: None\nC \nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by Jerry Gipson, February, 2004\nC Modified Nov 04 by JG to get group species names\nC vi environment variables\nC Modified Dec 09 by JG to remove reset of LERROR to\nC false for each species name retrieval\nC Modified Dec 09 by JG to allow for inclusion\nC of NO2EX cycle in Groups 1 and 2\nC \nC*************************************************************************\n\n\n USE M3UTILIO ! IOAPI parameters and functions declarations\n\n IMPLICIT NONE\n\nC..INCLUDES: \n! INCLUDE SUBST_IOPARMS ! IOAPI parameters\n! INCLUDE SUBST_IODECL ! IOAPI declarations\n \nC..ARGUMENTS: None\n \nC..PARAMETERS: None\n\nC..EXTERNAL FUNCTIONS:\n! CHARACTER*24 DT2STR ! Function to get character date and time\n! INTEGER ENVINT ! get value of integer environment variable\n! LOGICAL ENVYN ! get value of logical environment variable\n! LOGICAL ISDSTIME ! True if DST in effect\n\n\nC..SAVED LOCAL VARIABLES: None\n\nC..SCRATCH LOCAL VARIABLES:\n\n CHARACTER( 16 ) :: PNAME = 'GET_ENVS' ! Program Name\n\n CHARACTER( 5 ) :: TZ ! Time zone\n CHARACTER( 16 ) :: ENV_DFLT ! Environment variable default value\n CHARACTER( 24 ) :: TIMNDAT ! Wall clock time and date\n CHARACTER( 80 ) :: ENV_DESC ! Environment variable description\n CHARACTER( 80 ) :: MSG ! Message text\n CHARACTER( 256 ) :: RET_VAL ! Returned value of env var\n\nc........env var names \n CHARACTER( 16 ) :: ALL_MECHS = 'ALL_MECHS'\n CHARACTER( 16 ) :: GC_NAME = 'GC_NAME'\n CHARACTER( 16 ) :: AE_NAME = 'AE_NAME'\n CHARACTER( 16 ) :: AQ_NAME = 'AQ_NAME'\n CHARACTER( 16 ) :: OUTDIR = 'OUTDIR'\n CHARACTER( 16 ) :: TMPLDIR = 'TMPLDIR'\n CHARACTER( 16 ) :: COPYRT_FLAG = 'COPYRT_FLAG'\n CHARACTER( 16 ) :: CVS_HDR_FLAG = 'CVS_HDR_FLAG'\n CHARACTER( 16 ) :: PAR_NEG_FLAG = 'PAR_NEG_FLAG'\n CHARACTER( 16 ) :: NO2EX_FLAG = 'NO2EX_CYCLE'\n CHARACTER( 16 ) :: DEGRADE_SUBS = 'DEGRADE_SUBS'\n\n INTEGER :: EPOS ! String end position\n INTEGER :: LOGDEV ! Unit no. for output log\n INTEGER :: STATUS ! Status code\n INTEGER :: IDATE ! Wall-clock date\n INTEGER :: ITIME ! Wall clock time\n\n LOGICAL :: LERROR ! Error Flag\n\n\nC**********************************************************************\n\n LOGDEV = INIT3()\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get the time and date to be used as the time stamp for all outputs;\nc Convert from GMT to EDT or EST\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n CALL GETDTTIME( IDATE, ITIME )\n\n IF( ISDSTIME( IDATE ) ) THEN\n CALL NEXTIME( IDATE, ITIME, -40000 )\n TZ = ' EDT '\n ELSE\n CALL NEXTIME( IDATE, ITIME, -50000 )\n TZ = ' EST '\n END IF\n\n TIMNDAT = DT2STR( IDATE, ITIME )\n CR_DATE = ADJUSTL( TIMNDAT( 10 : 24 ) )\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get flags for versions of mechanism to create\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n L_ALL_MECHS = .FALSE.\n! ENV_DESC = 'Flag do all mechanisms or one'\n! L_ALL_MECHS = ENVYN( ALL_MECHS, ENV_DESC, L_ALL_MECHS, STATUS )\n\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get names to use for the mechanism\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n ENV_DFLT = ' '\n ENV_DESC = 'gas mechanism name' \n CALL ENVSTR( GC_NAME, ENV_DESC, ENV_DFLT, GC_TAG, STATUS )\n IF( STATUS .NE. 0 ) THEN\n MSG = 'Gas phase mechanism not defined' \n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n\n ENV_DFLT = ' '\n ENV_DESC = 'aerosol mechanism name' \n CALL ENVSTR( AE_NAME, ENV_DESC, ENV_DFLT, AE_TAG, STATUS )\n IF( STATUS .NE. 0 ) THEN\n MSG = 'Aerosol phase mechanism not defined' \n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n\n ENV_DFLT = ' '\n ENV_DESC = 'aq chem mechanism name' \n CALL ENVSTR( AQ_NAME, ENV_DESC, ENV_DFLT, AQ_TAG, STATUS )\n IF( STATUS .NE. 0 ) THEN\n MSG = 'Aerosol phase mechanism not defined' \n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get the name of the output directory and template directory\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n ENV_DFLT = './output'\n ENV_DESC = 'Output directory' \n! CALL ENVSTR( OUTDIR, ENV_DESC, ENV_DFLT, OUTPATH, STATUS)\n CALL GET_ENVIRONMENT_VARIABLE( NAME=OUTDIR, VALUE= OUTPATH, STATUS=STATUS, TRIM_NAME=.TRUE.)\n\n IF( STATUS .GT. 0 ) THEN\n MSG = 'ERROR: no path assigned to OUTDIR'\n CALL WRITE(6,*)TRIM( MSG )\n ESLE IF( STATUS .LT. 0 )THEN\n OUTPATH = './output' \n END IF\n\n ENV_DFLT = './tmpldir'\n ENV_DESC = 'Template directory' \n CALL ENVSTR( TMPLDIR, ENV_DESC, ENV_DFLT, TMPLPATH, STATUS)\n\n IF( STATUS .NE. 0 ) THEN\n MSG = 'ERROR: no path assigned to TMPLDIR'\n CALL M3MESG( MSG )\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get the flags for writing copyright and CVS header\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n LWR_COPY = .FALSE.\n ENV_DESC = 'Flag to write copyright notice'\n LWR_COPY = ENVYN( COPYRT_FLAG, ENV_DESC, LWR_COPY, STATUS )\n\n LWR_CVS_HDR = .FALSE.\n ENV_DESC = 'Flag to write copyright notice'\n LWR_CVS_HDR = ENVYN( CVS_HDR_FLAG, ENV_DESC, LWR_CVS_HDR, STATUS )\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get the flag for including PAR negative stoichiometry\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n LPAR_NEG = .FALSE.\n ENV_DESC = 'Flag to include PAR negative stoichiometry'\n LPAR_NEG = ENVYN( PAR_NEG_FLAG, ENV_DESC, LPAR_NEG, STATUS )\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get the flag for including Degradation routines\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n LDEGRADE_SUBS = .FALSE.\n ENV_DESC = 'Flag to include call to HAPs degradation routines'\n LDEGRADE_SUBS = ENVYN( DEGRADE_SUBS, ENV_DESC, LDEGRADE_SUBS, STATUS )\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get the flag for including NO2EX in groups 1 and 2\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n LNO2EX_CYCLE = .FALSE.\n ENV_DESC = 'Flag to include PAR negative stoichiometry'\n LNO2EX_CYCLE = ENVYN( NO2EX_FLAG, ENV_DESC, LNO2EX_CYCLE, STATUS )\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get the mechanism names for group species\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n LERROR = .FALSE.\n\nc..Group 1 species\n ENV_DFLT = ' '\n ENV_DESC = 'Mechanism name for nitrogen dioxide (NO2)' \n CALL ENVSTR( 'MECH_NO2', ENV_DESC, ENV_DFLT, MECH_NO2, STATUS)\n\n IF( STATUS .NE. 0 ) THEN\n MSG = 'ERROR: Environment variable MECH_NO2 not found'\n CALL M3MESG( MSG )\n LERROR = .TRUE.\n END IF\n\nc LERROR = .FALSE.\n ENV_DFLT = ' '\n ENV_DESC = 'Mechanism name for nitric oxide (NO)' \n CALL ENVSTR( 'MECH_NO', ENV_DESC, ENV_DFLT, MECH_NO, STATUS)\n\n IF( STATUS .NE. 0 ) THEN\n MSG = 'ERROR: Environment variable MECH_NO not found'\n CALL M3MESG( MSG )\n LERROR = .TRUE.\n END IF\n\n\nc LERROR = .FALSE.\n ENV_DFLT = ' '\n ENV_DESC = 'Mechanism name for ozone (O3)' \n CALL ENVSTR( 'MECH_O3', ENV_DESC, ENV_DFLT, MECH_O3, STATUS)\n\n IF( STATUS .NE. 0 ) THEN\n MSG = 'ERROR: Environment variable MECH_O3 not found'\n CALL M3MESG( MSG )\n LERROR = .TRUE.\n END IF\n\nc LERROR = .FALSE.\n ENV_DFLT = ' '\n ENV_DESC = 'Mechanism name for excited-state atomic oxygen (O1D)'\n CALL ENVSTR( 'MECH_O1D', ENV_DESC, ENV_DFLT, MECH_O1D, STATUS)\n\n IF( STATUS .NE. 0 ) THEN\n MSG = 'ERROR: Environment variable MECH_O1D not found'\n CALL M3MESG( MSG )\n LERROR = .TRUE.\n END IF\n\nc LERROR = .FALSE.\n ENV_DFLT = ' '\n ENV_DESC = 'Mechanism name for ground-state atomic oxygen (O3P)'\n CALL ENVSTR( 'MECH_O3P', ENV_DESC, ENV_DFLT, MECH_O3P, STATUS)\n\n IF( STATUS .NE. 0 ) THEN\n MSG = 'ERROR: Environment variable MECH_O3P not found'\n CALL M3MESG( MSG )\n LERROR = .TRUE.\n END IF\n\n IF( LNO2EX_CYCLE ) THEN\n ENV_DFLT = ' '\n ENV_DESC = 'Mechanism name for excited NO2 oxygen (NO2EX)'\n CALL ENVSTR( 'MECH_NO2EX', ENV_DESC, ENV_DFLT, MECH_NO2EX, STATUS)\n\n IF( STATUS .NE. 0 ) THEN\n MSG = 'ERROR: Environment variable MECH_NO2EX not found'\n CALL M3MESG( MSG )\n LERROR = .TRUE.\n END IF\n END IF\n\n\nc..Group 2 species\nc LERROR = .FALSE.\n ENV_DFLT = ' '\n ENV_DESC = 'Mechanism name for hydroxyl radical (OH)'\n CALL ENVSTR( 'MECH_OH', ENV_DESC, ENV_DFLT, MECH_OH, STATUS)\n\n IF( STATUS .NE. 0 ) THEN\n MSG = 'ERROR: Environment variable MECH_OH not found'\n CALL M3MESG( MSG )\n LERROR = .TRUE.\n END IF\n\nc LERROR = .FALSE.\n ENV_DFLT = ' '\n ENV_DESC = 'Mechanism name for hydroperoxy radical (HO2)'\n CALL ENVSTR( 'MECH_HO2', ENV_DESC, ENV_DFLT, MECH_HO2, STATUS)\n\n IF( STATUS .NE. 0 ) THEN\n MSG = 'ERROR: Environment variable MECH_HO2 not found'\n CALL M3MESG( MSG )\n LERROR = .TRUE.\n END IF\n\nc LERROR = .FALSE.\n ENV_DFLT = ' '\n ENV_DESC = 'Mechanism name for nitrous acid (HONO)'\n CALL ENVSTR( 'MECH_HONO', ENV_DESC, ENV_DFLT, MECH_HONO, STATUS)\n\n IF( STATUS .NE. 0 ) THEN\n MSG = 'ERROR: Environment variable MECH_HONO not found'\n CALL M3MESG( MSG )\n LERROR = .TRUE.\n END IF\n\nc LERROR = .FALSE.\n ENV_DFLT = ' '\n ENV_DESC = 'Mechanism name for pernitric acid (HNO4)'\n CALL ENVSTR( 'MECH_HNO4', ENV_DESC, ENV_DFLT, MECH_HNO4, STATUS)\n\n IF( STATUS .NE. 0 ) THEN\n MSG = 'ERROR: Environment variable MECH_HNO4 not found'\n CALL M3MESG( MSG )\n LERROR = .TRUE.\n END IF\n\nc..Group 3 species\nc LERROR = .FALSE.\n ENV_DFLT = ' '\n ENV_DESC = 'Mechanism name for peroxy acetyl nitrate (PAN)'\n CALL ENVSTR( 'MECH_PAN', ENV_DESC, ENV_DFLT, MECH_PAN, STATUS)\n\n IF( STATUS .NE. 0 ) THEN\n MSG = 'ERROR: Environment variable MECH_PAN not found'\n CALL M3MESG( MSG )\n LERROR = .TRUE.\n END IF\n\nc LERROR = .FALSE.\n ENV_DFLT = ' '\n ENV_DESC = 'Mechanism name for acetyl percoxy radical (C2O3)'\n CALL ENVSTR( 'MECH_C2O3', ENV_DESC, ENV_DFLT, MECH_C2O3, STATUS)\n\n IF( STATUS .NE. 0 ) THEN\n MSG = 'ERROR: Environment variable MECH_C2O3 not found'\n CALL M3MESG( MSG )\n LERROR = .TRUE.\n END IF\n\nc..Group 4 species\nc LERROR = .FALSE.\n ENV_DFLT = ' '\n ENV_DESC = 'Mechanism name for nitrate radical (NO3)'\n CALL ENVSTR( 'MECH_NO3', ENV_DESC, ENV_DFLT, MECH_NO3, STATUS)\n\n IF( STATUS .NE. 0 ) THEN\n MSG = 'ERROR: Environment variable MECH_NO3 not found'\n CALL M3MESG( MSG )\n LERROR = .TRUE.\n END IF\n\nc LERROR = .FALSE.\n ENV_DFLT = ' '\n ENV_DESC = 'Mechanism name for nitrogen pentoxide (N2O5)'\n CALL ENVSTR( 'MECH_N2O5', ENV_DESC, ENV_DFLT, MECH_N2O5, STATUS)\n\n IF( STATUS .NE. 0 ) THEN\n MSG = 'ERROR: Environment variable MECH_N2O5 not found'\n CALL M3MESG( MSG )\n LERROR = .TRUE.\n END IF\n\n IF( LERROR ) THEN\n MSG = 'Stopping because of error in defining group species'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n\n\n RETURN\n\n92000 FORMAT( /2X, 'The following mechanism versions will be created:' \n & / A / 1X )\n\n END SUBROUTINE GET_ENVS\n\n END MODULE ENV_VARS\n" }, { "path": "UTIL/create_ebi/src/module_glbldata.F", "content": " MODULE GLOBAL_DATA\n\n IMPLICIT NONE\n\n INTEGER, PARAMETER :: MXRCT = 3 ! Max no. of reactants in a rxn\n\n INTEGER, PARAMETER :: MAXOUTFLS = 20 ! Max No. of output files generated\n\n\nc..Group species indices\n INTEGER :: NO = 0\n INTEGER :: NO2 = 0\n INTEGER :: O3 = 0\n INTEGER :: O3P = 0\n INTEGER :: O1D = 0\n INTEGER :: OH = 0\n INTEGER :: HO2 = 0\n INTEGER :: HONO = 0\n INTEGER :: HNO4 = 0\n INTEGER :: NO3 = 0\n INTEGER :: N2O5 = 0\n INTEGER :: C2O3 = 0\n INTEGER :: PAN = 0\n INTEGER :: NO2EX = 0\n INTEGER :: RXN_C2O3_SELF = 0\n\n\n INTEGER :: CL = 0 ! Largest species character length\n INTEGER :: LL = 0 ! Largest reaction label length\n\n INTEGER :: N_AE_SPC = 0 ! No. of AE only species\n INTEGER :: N_AQ_SPC = 0 ! No. of AQ only species\n INTEGER :: N_GC_AE_SPC = 0 ! No. of species in AE mech\n INTEGER :: N_GC_AQ_SPC = 0 ! No. of species in AQ mech\n INTEGER :: N_GC_ONLY_SPC = 0 ! No. of species in gas-phase mech\n\n INTEGER :: N_GC_EBI = 0 ! No. of EBI species in GC mech\n INTEGER :: N_GC_AE_EBI = 0 ! No. of EBI species in AE mech\n INTEGER :: N_GC_AQ_EBI = 0 ! No. of EBI species in AQ mech\n INTEGER :: N_GC_ONLY_EBI = 0 ! No. of EBI species in gas-phase mech\n\n INTEGER :: NOUTFLS = 0 ! No. of output files generated\n \n\nC names of mechanism species , taken from GASCHEM_SPC in the RXDT.EXT file\n INTEGER, SAVE :: N_SPECIES\n CHARACTER( 16 ), ALLOCATABLE, SAVE :: SPECIES( : )\n \nc..list of species in only in the AE & AQ mechanisms\n CHARACTER( 16 ), ALLOCATABLE :: AE_SPC( : ) \n CHARACTER( 16 ), ALLOCATABLE :: AQ_SPC( : ) \n\nc..complete list of species in AE, AQ, & gas-phase mechanisms\n CHARACTER( 16 ), ALLOCATABLE :: GC_AE_SPC( : )\n CHARACTER( 16 ), ALLOCATABLE :: GC_AQ_SPC( : )\n CHARACTER( 16 ), ALLOCATABLE :: GC_ONLY_SPC( : )\n\n CHARACTER( 32 ) :: OUTFLNAM( MAXOUTFLS )\n\n LOGICAL, ALLOCATABLE :: L_GC_EBI( : ) ! Flag for EBI GC species\n LOGICAL, ALLOCATABLE :: L_GC_AE_EBI( : )\n LOGICAL, ALLOCATABLE :: L_GC_AQ_EBI( : )\n LOGICAL, ALLOCATABLE :: L_GC_ONLY_EBI( : )\n LOGICAL, ALLOCATABLE :: L_GC_ONLY_SPC( : ) ! Flag for gas-only species\n ! in SPECIES list\n\n LOGICAL, ALLOCATABLE :: L_LOW_TOL_SPC( : ) ! Low tolerance flag\n LOGICAL, ALLOCATABLE :: L_HII_TOL_SPC( : ) ! High or Tight tolerance flag\n\n LOGICAL, ALLOCATABLE :: L_RXFLAG( : )\n\n LOGICAL, ALLOCATABLE :: L_SS_RXN_FLAG( : )\n\n END MODULE GLOBAL_DATA\n" }, { "path": "UTIL/create_ebi/src/set_glbldata.F", "content": " SUBROUTINE SET_GLBLDATA\n\nC**********************************************************************\nC\nC FUNCTION: Sets mechansim global data used by other subroutines\nC\nC PRECONDITIONS: None\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by Jerry Gipson, February, 2004\nC Modified Nov 2004 by JG to use input group names\nC Modified Dec 2007 by Golam Sarwar to change RTOL for *RXN variables \nC Modified Nov 2009 by JG to add SS rxn flag\nC**********************************************************************\n USE ENV_VARS\n USE GLOBAL_DATA\n !! USE M3UTILIO ! IOAPI parameters and declarations\n USE RXNS_DATA\n\n\n IMPLICIT NONE\n\nC..INCLUDES: \n\n \nC..ARGUMENTS: None\n\nC..PARAMETERS:\n INTEGER, PARAMETER :: MAX_GRP_SPC = 20 ! Max no. species in group list\n INTEGER, PARAMETER :: N_LOW_TOL_SPC = 28 ! No. species w/ low tols, revised by Golam Sarwar\n INTEGER, PARAMETER :: N_HII_TOL_SPC = 4 ! No. species w/ strict rtols, revised by Golam Sarwar\n\nC..EXTERNAL FUNCTIONS:\n! INTEGER NAME_INDEX !\n\nC..SAVED LOCAL VARIABLES: None\n \nC..SCRATCH LOCAL VARIABLES:\n CHARACTER( 16 ) :: PNAME = 'SET_GLBLDATA' ! Program name\n CHARACTER( 16 ) :: GRP_SPC( MAX_GRP_SPC )\n CHARACTER( 100 ) :: MSG \n CHARACTER( 16 ) :: LOW_TOL_SPC( N_LOW_TOL_SPC )\n CHARACTER( 16 ) :: HII_TOL_SPC( N_HII_TOL_SPC ) = \n & (/ 'I ', 'IO ', 'HOI ', 'INO3' /)\n\n INTEGER :: EOS ! End of string position\n INTEGER :: N ! Loop index\n INTEGER :: IND\n INTEGER :: N_GRP_SPC ! No. of group species\n\n LOGICAL :: LERROR ! Error flag\n\nC**********************************************************************\nC *** revised by Golam Sarwar\nC DATA LOW_TOL_SPC / 'O' , 'O1D' , 'NTR' , 'SULF', !cb4\nC & 'O3P' , 'O1D2' , 'SULF' , 'BZ_O', !saprc99\nC & 'TBU_O' , 'BZNO2_O' , 'HOCOO' , !saprc99\nC & 'O3P' , 'O1D' , 'SULF' / !radm2\n\n DATA LOW_TOL_SPC / 'O' , 'O1D' , 'NTR' , 'SULF' , !cb05\n & 'TOLNRXN', 'TOLHRXN' , 'XYLNRXN', 'XYLHRXN', !cb05\n & 'ISOPRXN', 'TRPRXN ' , 'XYLNRXN', 'XYLHRXN', !cb05\n & 'BNZNRXN', 'BNZHRXN ' , 'SESQRXN', 'SULRXN' , !cb05\n & 'HCO3' , !cb05 \n & 'O3P' , 'O1D2' , 'BZ_O' , 'TBU_O' , !saprc99\n & 'BZNO2_O', 'HOCOO' , 'ALK5RXN',\n & 'ALKRXN' , 'PAHRO2' , 'PAHHRXN', 'PAHNRXN' / ! version 5.1 SOA production\n\nC set up SPECIES array\n\n N_SPECIES = NUMB_MECH_SPC\n ALLOCATE( SPECIES( N_SPECIES + 1 ) )\n SPECIES = ' '\n DO N = 1, N_SPECIES\n SPECIES( N ) = CHEMISTRY_SPC( N )\n END DO\n \nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get group species indices\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n LERROR = .FALSE.\n N = 0\n\nc..NO\n NO = NAME_INDEX( MECH_NO, N_SPECIES, SPECIES )\n IF( NO .NE. 0 ) THEN\n N = N +1\n GRP_SPC( N ) = MECH_NO\n ELSE\n EOS = LEN_TRIM( MECH_NO )\n MSG = 'ERROR: MECH_NO Group species ' // MECH_NO( 1 : EOS ) //\n & ' not found in mechanism' \n WRITE(LOGDEV,'(a)')TRIM( PNAME ) // ': ' // TRIM( MSG )\n LERROR = .TRUE.\n END IF\n\nc..NO2\n NO2 = NAME_INDEX( MECH_NO2, N_SPECIES, SPECIES )\n IF( NO2 .NE. 0 ) THEN\n N = N +1\n GRP_SPC( N ) = MECH_NO2\n ELSE\n EOS = LEN_TRIM( MECH_NO2 )\n MSG = 'ERROR: MECH_NO2 Group species ' // MECH_NO2( 1 : EOS ) //\n & ' not found in mechanism' \n WRITE(LOGDEV,'(a)')TRIM( PNAME ) // ': ' // TRIM( MSG )\n LERROR = .TRUE.\n END IF\n\nc..O3\n O3 = NAME_INDEX( MECH_O3, N_SPECIES, SPECIES )\n IF( NO2 .NE. 0 ) THEN\n N = N +1\n GRP_SPC( N ) = MECH_O3\n ELSE\n EOS = LEN_TRIM( MECH_O3 )\n MSG = 'ERROR: MECH_O3 Group species ' // MECH_O3( 1 : EOS ) //\n & ' not found in mechanism' \n WRITE(LOGDEV,'(a)')TRIM( PNAME ) // ': ' // TRIM( MSG )\n LERROR = .TRUE.\n END IF\n\nc..O3P\n O3P = NAME_INDEX( MECH_O3P, N_SPECIES, SPECIES )\n IF( O3P .NE. 0 ) THEN\n N = N +1\n GRP_SPC( N ) = MECH_O3P\n ELSE\n EOS = LEN_TRIM( MECH_O3P )\n MSG = 'ERROR: ECH_O3P Group species ' // MECH_O3P( 1 : EOS ) //\n & ' not found in mechanism' \n WRITE(LOGDEV,'(a)')TRIM( PNAME ) // ': ' // TRIM( MSG )\n LERROR = .TRUE.\n END IF\n\nc..O1D\n O1D = NAME_INDEX( MECH_O1D, N_SPECIES, SPECIES )\n IF( O1D .NE. 0 ) THEN\n N = N +1\n GRP_SPC( N ) = MECH_O1D\n ELSE\n EOS = LEN_TRIM( MECH_O1D )\n MSG = 'ERROR: MECH_O1D Group species value: ' // MECH_O1D( 1 : EOS ) //\n & ' not found in mechanism' \n WRITE(LOGDEV,'(a)')TRIM( PNAME ) // ': ' // TRIM( MSG )\n LERROR = .TRUE.\n END IF\n\nc..OH\n OH = NAME_INDEX( MECH_OH, N_SPECIES, SPECIES )\n IF( OH .NE. 0 ) THEN\n N = N +1\n GRP_SPC( N ) = MECH_OH\n ELSE\n EOS = LEN_TRIM( MECH_OH )\n MSG = 'ERROR: MECH_OH Group species ' // MECH_OH( 1 : EOS ) //\n & ' not found in mechanism' \n WRITE(LOGDEV,'(a)')TRIM( PNAME ) // ': ' // TRIM( MSG )\n LERROR = .TRUE.\n END IF\n\nc..HO2\n HO2 = NAME_INDEX( MECH_HO2 , N_SPECIES, SPECIES )\n IF( HO2 .NE. 0 ) THEN\n N = N +1\n GRP_SPC( N ) = MECH_HO2\n ELSE\n EOS = LEN_TRIM( MECH_HO2 )\n MSG = 'ERROR: MECH_HO2 Group species ' // MECH_HO2( 1 : EOS ) //\n & ' not found in mechanism' \n LERROR = .TRUE.\n END IF\n\nc..HONO\n HONO = NAME_INDEX( MECH_HONO, N_SPECIES, SPECIES )\n IF( HONO .NE. 0 ) THEN\n N = N +1\n GRP_SPC( N ) = MECH_HONO\n ELSE\n EOS = LEN_TRIM( MECH_HONO )\n MSG = 'ERROR: MECH_HONO Group species ' // MECH_HONO( 1 : EOS ) //\n & ' not found in mechanism' \n WRITE(LOGDEV,'(a)')TRIM( PNAME ) // ': ' // TRIM( MSG )\n LERROR = .TRUE.\n END IF\n\nc..HNO4\n HNO4 = NAME_INDEX( MECH_HNO4, N_SPECIES, SPECIES )\n IF( HNO4 .NE. 0 ) THEN\n N = N +1\n GRP_SPC( N ) = MECH_HNO4\n ELSE\n EOS = LEN_TRIM( MECH_HNO4 )\n MSG = 'ERROR: MECH_HNO4 Group species ' // MECH_HNO4( 1 : EOS ) //\n & ' not found in mechanism' \n WRITE(LOGDEV,'(a)')TRIM( PNAME ) // ': ' // TRIM( MSG )\n LERROR = .TRUE.\n END IF\n\nC..C2O3\n C2O3 = NAME_INDEX( MECH_C2O3, N_SPECIES, SPECIES )\n IF( C2O3 .NE. 0 ) THEN\n N = N +1\n GRP_SPC( N ) = MECH_C2O3\n ELSE\n EOS = LEN_TRIM( MECH_C2O3 )\n MSG = 'ERROR: MECH_C2O3 Group species ' // MECH_C2O3( 1 : EOS ) //\n & ' not found in mechanism' \n WRITE(LOGDEV,'(a)')TRIM( PNAME ) // ': ' // TRIM( MSG )\n LERROR = .TRUE.\n END IF\n\nC..PAN\n PAN = NAME_INDEX( MECH_PAN, N_SPECIES, SPECIES )\n IF( PAN .NE. 0 ) THEN\n N = N +1\n GRP_SPC( N ) = MECH_PAN\n ELSE\n EOS = LEN_TRIM( MECH_PAN )\n MSG = 'ERROR: MECH_PAN Group species ' // MECH_PAN( 1 : EOS ) //\n & ' not found in mechanism' \n WRITE(LOGDEV,'(a)')TRIM( PNAME ) // ': ' // TRIM( MSG )\n LERROR = .TRUE.\n END IF\n\nc..NO3\n NO3 = NAME_INDEX( MECH_NO3, N_SPECIES, SPECIES )\n IF( NO3 .NE. 0 ) THEN\n N = N +1\n GRP_SPC( N ) = MECH_NO3\n ELSE\n EOS = LEN_TRIM( MECH_NO3 )\n MSG = 'ERROR: MECH_NO3 Group species ' // MECH_NO3( 1 : EOS ) //\n & ' not found in mechanism' \n LERROR = .TRUE.\n END IF\nc..N2O5\n N2O5 = NAME_INDEX( MECH_N2O5, N_SPECIES, SPECIES )\n IF( N2O5 .NE. 0 ) THEN\n N = N +1\n GRP_SPC( N ) = MECH_N2O5\n ELSE\n EOS = LEN_TRIM( MECH_N2O5 )\n MSG = 'ERROR: MECH_N2O5 Group species ' // MECH_N2O5( 1 : EOS ) //\n & ' not found in mechanism' \n WRITE(LOGDEV,'(a)')TRIM( PNAME ) // ': ' // TRIM( MSG )\n LERROR = .TRUE.\n END IF\n\nc..NO2EX\n IF( LNO2EX_CYCLE ) THEN\n NO2EX = NAME_INDEX( MECH_NO2EX, N_SPECIES, SPECIES )\n IF( NO2EX .NE. 0 ) THEN\n N = N +1\n GRP_SPC( N ) = MECH_NO2EX\n ELSE\n EOS = LEN_TRIM( MECH_NO2EX )\n MSG = 'ERROR: MECH_NO2EXGroup species ' // MECH_NO2EX( 1 : EOS ) //\n & ' not found in mechanism' \n WRITE(LOGDEV,'(a)')TRIM( PNAME ) // ': ' // TRIM( MSG )\n LERROR = .TRUE.\n END IF\n END IF\n\n N_GRP_SPC = N\n IF( LERROR ) THEN\n MSG = 'Stopping because of undefined group species name(s)'\n WRITE(LOGDEV,'(a)')TRIM( PNAME ) // ': ' // TRIM( MSG )\n STOP\n END IF\n\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc If doing all mechanisms, get a list of species & find unique AE/AQ\nc species. Note three subroutines are needed because the include files \nc all use the same variable names (i.e., N_SPECIES & SPECIES) \nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc \n N_AE_SPC = 0\n N_AQ_SPC = 0\n\nc..Flag species in SPECIES as gas-phase only or not ( i.e. AE or AQ)\n ALLOCATE( L_GC_ONLY_SPC( N_SPECIES ) )\n IF( ALLOCATED( AE_SPC ) .OR. ALLOCATED( AQ_SPC ) )THEN\n DO N = 1, N_SPECIES\n L_GC_ONLY_SPC( N ) = .TRUE.\n IF( NAME_INDEX( SPECIES( N ), N_AE_SPC, AE_SPC ) .NE. 0 .OR.\n & NAME_INDEX( SPECIES( N ), N_AQ_SPC, AQ_SPC ) .NE. 0 )\n & L_GC_ONLY_SPC( N ) = .FALSE.\n END DO\n ELSE\n L_GC_ONLY_SPC = .TRUE.\n END IF\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Find the max char lengths\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n DO N = 1, N_SPECIES\n\n CL = MAX( CL, LEN_TRIM( SPECIES( N ) ) )\n\n END DO \n\n DO N = 1, NRXNS\n LL = MAX( LL, LEN_TRIM( RXLABEL( N ) ) ) \n END DO\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Tag each species as EBI or group\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n ALLOCATE( L_GC_EBI( N_SPECIES ) )\n L_GC_EBI = .FALSE.\n\n DO N = 1, N_SPECIES\n IF( NAME_INDEX( SPECIES( N ), N_GRP_SPC, GRP_SPC ) .EQ. 0 ) THEN\n N_GC_EBI = N_GC_EBI + 1\n L_GC_EBI( N ) = .TRUE.\n END IF\n END DO\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Tag gas-only species as low or high tolerance\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n ALLOCATE( L_LOW_TOL_SPC( N_SPECIES ) )\n L_LOW_TOL_SPC = .FALSE.\n ALLOCATE(L_HII_TOL_SPC( N_SPECIES ) )\n L_HII_TOL_SPC = .FALSE.\n\n DO N = 1, N_SPECIES\n IF( NAME_INDEX( SPECIES(N),N_LOW_TOL_SPC,LOW_TOL_SPC ) .NE. 0 ) THEN\n L_LOW_TOL_SPC( N ) = .TRUE.\n END IF\n END DO\n\n DO N = 1, N_SPECIES\n IF( NAME_INDEX( SPECIES(N),N_HII_TOL_SPC,HII_TOL_SPC ) .NE. 0 ) THEN\n L_HII_TOL_SPC( N ) = .TRUE.\n END IF\n END DO\n\nc..Tag NO2EX as low tol if cycle is in group 1 and 2\n! IF( LNO2EX_CYCLE ) L_LOW_TOL_SPC( NO2EX ) = .TRUE.\n IF( LNO2EX_CYCLE )THEN\n L_HII_TOL_SPC( NO ) = .TRUE.\n L_HII_TOL_SPC( NO2 ) = .TRUE.\n L_HII_TOL_SPC( NO2EX ) = .TRUE.\n END IF\n \n\n\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Set reaction rate flags - indicates RXRAT reference\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n ALLOCATE( L_RXFLAG( NRXNS ) )\n L_RXFLAG = .FALSE.\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Set SS reactannt flags \nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n ALLOCATE( L_SS_RXN_FLAG( NRXNS ) )\n L_SS_RXN_FLAG = .FALSE.\n\n RETURN\n\n END\n\n\n SUBROUTINE GET_AE_SPC\n\nC**********************************************************************\nC\nC FUNCTION: Get a list of all species in the AE version of the mechanism\nC\nC PRECONDITIONS: None\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by Jerry Gipson, February, 2004\nC\nC**********************************************************************\n USE GLOBAL_DATA\n\n IMPLICIT NONE\n\nC..INCLUDES: \n \nC..ARGUMENTS: None\n\nC..PARAMETERS: None\n\nC..EXTERNAL FUNCTIONS: None\n\nC..SAVED LOCAL VARIABLES: None\n \nC..SCRATCH LOCAL VARIABLES:\n INTEGER :: N ! Loop index\n\nC**********************************************************************\n\n N_GC_AE_SPC = N_SPECIES\n\n ALLOCATE( GC_AE_SPC( N_SPECIES ) )\n\n DO N = 1, N_SPECIES\n\n GC_AE_SPC( N ) = SPECIES( N )\n\n END DO\n\n RETURN\n\n END\n\n\n\n\n SUBROUTINE GET_AQ_SPC\n\nC**********************************************************************\nC\nC FUNCTION: Get a list of all species in the AQ version of the mechanism\nC\nC PRECONDITIONS: None\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by Jerry Gipson, February, 2004\nC\nC**********************************************************************\n USE GLOBAL_DATA\n\n IMPLICIT NONE\n\nC..INCLUDES: \n \nC..ARGUMENTS: None\n\nC..PARAMETERS: None\n\nC..EXTERNAL FUNCTIONS: None\n\nC..SAVED LOCAL VARIABLES: None\n \nC..SCRATCH LOCAL VARIABLES:\n INTEGER :: N ! Loop index\n\nC**********************************************************************\n\n N_GC_AQ_SPC = N_SPECIES\n\n ALLOCATE( GC_AQ_SPC( N_SPECIES ) )\n\n DO N = 1, N_SPECIES\n\n GC_AQ_SPC( N ) = SPECIES( N )\n\n END DO\n\n RETURN\n\n END\n\n SUBROUTINE GET_GC_ONLY_SPC\n\nC**********************************************************************\nC\nC FUNCTION: Get a list of all species in the AE_AQ version of the mechanism\nC\nC PRECONDITIONS: None\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by Jerry Gipson, February, 2004\nC\nC**********************************************************************\n USE GLOBAL_DATA\n\n IMPLICIT NONE\n\nC..INCLUDES: \n \nC..ARGUMENTS: None\n\nC..PARAMETERS: None\n\nC..EXTERNAL FUNCTIONS: None\n\nC..SAVED LOCAL VARIABLES: None\n \nC..SCRATCH LOCAL VARIABLES:\n INTEGER :: N ! Loop index\n\nC**********************************************************************\n\n N_GC_ONLY_SPC = N_SPECIES\n\n ALLOCATE( GC_ONLY_SPC( N_SPECIES ) )\n\n DO N = 1, N_SPECIES\n\n GC_ONLY_SPC( N ) = SPECIES( N )\n\n END DO\n\n RETURN\n\n END\n\n" }, { "path": "UTIL/create_ebi/src/util_subs.F", "content": " SUBROUTINE SUM_COEFF( SUMC, RORP, SPINDX, NRX )\n\nC**********************************************************************\nC\nC FUNCTION: Create source code for the hrgp1 subroutine in EBI\nC\nC PRECONDITIONS: None\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by Jerry Gipson, February, 2004\nC\nC**********************************************************************\n USE ENV_VARS\n USE GLOBAL_DATA\n! !!USE M3UTILIO ! IOAPI parameters and declarations\n USE RXNS_DATA ! mechanism data and specifications\n\n IMPLICIT NONE\n\nC..INCLUDES: \n\n \n \nC..ARGUMENTS:\n CHARACTER( * ) :: RORP ! Reactant or Product code\n\n INTEGER :: SPINDX ! Index of species\n INTEGER :: NRX ! Reaction number\n\n REAL( 8 ) :: SUMC ! Sum of species coefficients\n\nC..PARAMETERS: None\n\nC..EXTERNAL FUNCTIONS: None\n\nC..SAVED LOCAL VARIABLES: None\n CHARACTER( 16 ), SAVE :: PNAME = 'SUM_COEFF' ! Program name\n \nC..SCRATCH LOCAL VARIABLES:\n CHARACTER( 256 ) :: MSG ! Message text\n\n INTEGER :: P, R ! Loop indices\n\n \n\n\nC**********************************************************************\n\n\n SUMC = 0.0D0\n\n IF( RORP .EQ. 'R' ) THEN\n\n DO R = 1, NREACT( NRX )\n IF( IRR( NRX, R ) .EQ. SPINDX )SUMC = SUMC + 1.0D0\n END DO\n\n RETURN\n\n ELSEIF( RORP .EQ. 'P' ) THEN\n\n DO P = 1, NPRDCT( NRX )\n IF( IRR( NRX, P + MXRCT ) .EQ. SPINDX ) SUMC = SUMC + \n & SC( NRX, P )\n END DO\n\n RETURN\n\n ELSE\n\n MSG = 'ERROR: Invalid code for SUM_COEFF - must be R or P '\n\n WRITE(LOGDEV,'(a)')TRIM( PNAME ) // ': ' // TRIM( MSG )\n STOP\n\n END IF\n\n END \n \n SUBROUTINE CMPRS_COEF( COUT, SGN, COEFF )\n\nC**********************************************************************\nC\nC FUNCTION: Convert a coeff to compressed characters ( blank if 1.0 )\nC\nC PRECONDITIONS: None\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by Jerry Gipson, February, 2004\nC\nC**********************************************************************\n USE ENV_VARS\n USE GLOBAL_DATA\n !!USE M3UTILIO ! IOAPI parameters and declarations\n USE RXNS_DATA ! mechanism data and specifications\n\n\n IMPLICIT NONE\n\nC..INCLUDES: \n\n \n \nC..ARGUMENTS:\n CHARACTER( * ) :: COUT ! Reactant or Product code\n CHARACTER( * ) :: SGN ! Sign of coefficient\n\n REAL( 8 ) :: COEFF ! Coefficient\n\n\nC..PARAMETERS: None\n\nC..EXTERNAL FUNCTIONS: None\n\nC..SAVED LOCAL VARIABLES: None\n CHARACTER( 16 ), SAVE :: PNAME = 'CMPRS_COEF' ! Program name\n \nC..SCRATCH LOCAL VARIABLES:\n CHARACTER( 256 ) :: MSG ! Message text\n\n INTEGER :: N ! Loop index\n\n \n\n\nC**********************************************************************\n\n IF( COEFF .GE. 0.0D0 ) THEN\n SGN = '+'\n ELSE\n SGN = '-'\n COEFF = -1.0D0 * COEFF\n END IF\n\n COUT = ' '\n\n IF( COEFF .EQ. 1.0D0 ) RETURN\n\n WRITE( COUT, '( D12.4 ) ' ) COEFF\n\n DO N = LEN( COUT ), 1, -1\n\n IF( COUT( N : N ) .EQ. ' ' ) CYCLE\n! IF( COUT( N : N ) .EQ. '0' .OR. COUT( N : N ) .EQ. '.' ) THEN\n! COUT( N : N ) = ' '\n! ELSE\n! EXIT\n! END IF\n\n END DO \n\n COUT = ADJUSTL( COUT )\n\n RETURN\n\n END\n\n\n\n SUBROUTINE CMPRS_RXN( RPOS1, RPOS2, PPOS1, PPOS2, IRX, RXOUT )\n\nC**********************************************************************\nC\nC FUNCTION: Create a compressed mechanism reaction line with products\nC in specified order; \nC\nC PRECONDITIONS: None\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by Jerry Gipson, February, 2004\nC\nC**********************************************************************\n USE ENV_VARS\n USE GLOBAL_DATA\n !!!!USE M3UTILIO ! IOAPI parameters and declarations\n USE RXNS_DATA ! mechanism data and specifications\n\n\n IMPLICIT NONE\n\nC..INCLUDES: \n! INCLUDE SUBST_IOPARMS ! IOAPI parameters\n! INCLUDE SUBST_IODECL ! IOAPI declarations\n \n \nC..ARGUMENTS:\n CHARACTER( * ) :: RXOUT ! Compressed reaction line\n\n INTEGER :: RPOS1 ! Species to occupy rctnt position 1\n INTEGER :: RPOS2 ! Species to occupy rctnt position 2\n INTEGER :: PPOS1 ! Species to occupy prod position 1\n INTEGER :: PPOS2 ! Species to occupy prod position 2\n INTEGER :: IRX ! Reaction index\n\n\nC..PARAMETERS: None\n\nC..EXTERNAL FUNCTIONS: None\n\nC..SAVED LOCAL VARIABLES: None\n CHARACTER( 16 ), SAVE :: PNAME = 'SUM_COEFF' ! Program name\n \nC..SCRATCH LOCAL VARIABLES:\n CHARACTER( 256 ) :: MSG ! Message text\n CHARACTER( 16 ) :: SAVSPEC\n CHARACTER*( 12 ) :: COUT ! Output coefficient\n CHARACTER*( 1 ) :: SGN ! Coefficient sign\n\n INTEGER :: EPOS ! end pos of string\n INTEGER :: EP ! end pos of character string\n INTEGER :: P, R ! Loop index\n INTEGER :: IND\n INTEGER :: LEN_RXOUT ! length of RXOUT string\n INTEGER :: SAVINDX ! Saved species index\n\n REAL( 8 ) :: SAVCOEF ! Saved coefficient\n\n \n CHARACTER( 16 ) :: RSPEC( MXRCT )\n CHARACTER( 16 ) :: PSPEC( MXPRD )\n INTEGER :: RINDX( MXRCT )\n INTEGER :: PINDX( MXPRD )\n REAL( 8 ) :: RCOEF( MXRCT )\n REAL( 8 ) :: YCOEF( MXPRD )\n\nC**********************************************************************\n\nc..determine length of RXOUT string\n\n LEN_RXOUT = LEN( RXOUT )\n\nc..Load reactant species data into work arrays\n DO R = 1, NREACT( IRX )\n RSPEC( R ) = SPECIES( IRR( IRX, R ) )\n RINDX( R ) = IRR( IRX, R )\n END DO\n\n\nc..Shuffle reactant positions if necessary\n IF( RPOS1 .NE. 0 ) THEN\n DO R = 2, NREACT( IRX )\n IF( RINDX( R ) .EQ. RPOS1 ) THEN\n SAVSPEC = RSPEC( 1 )\n SAVINDX = RINDX( 1 )\n RSPEC( 1 ) = RSPEC( R )\n RINDX( 1 ) = RINDX( R )\n RSPEC( R ) = SAVSPEC\n RINDX( R ) = SAVINDX\n EXIT\n END IF\n END DO\n END IF\n\n IF( RPOS2 .NE. 0 ) THEN\n DO R = 3, NREACT( IRX )\n IF( RINDX( R ) .EQ. RPOS2 ) THEN\n SAVSPEC = RSPEC( 2 )\n SAVINDX = RINDX( 2 )\n RSPEC( 2 ) = RSPEC( R )\n RINDX( 2 ) = RINDX( R )\n RSPEC( R ) = SAVSPEC\n RINDX( R ) = SAVINDX\n EXIT\n END IF\n END DO\n END IF\n\n\nc..Load product species data into work arrays\n DO P = 1, NPRDCT( IRX )\n PINDX( P ) = IRR( IRX, P + 3 )\n PSPEC( P ) = SPECIES( IRR( IRX, P + 3 ) )\n YCOEF( P ) = SC( IRX, P )\n END DO\n\n\nc..Shuffle product positions if necessary\n IF( PPOS1 .NE. 0 ) THEN\n DO P = 2, NPRDCT( IRX )\n IF( PINDX( P ) .EQ. PPOS1 ) THEN\n SAVINDX = PINDX( 1 )\n SAVSPEC = PSPEC( 1 )\n SAVCOEF = YCOEF( 1 )\n PINDX( 1 ) = PINDX( P )\n PSPEC( 1 ) = PSPEC( P )\n YCOEF( 1 ) = YCOEF( P )\n PINDX( P ) = SAVINDX\n PSPEC( P ) = SAVSPEC\n YCOEF( P ) = SAVCOEF\n EXIT\n END IF\n END DO\n END IF\n\n\n IF( PPOS1 .NE. 0 ) THEN\n DO P = 3, NPRDCT( IRX )\n IF( PINDX( P ) .EQ. PPOS2 ) THEN\n SAVINDX = PINDX( 2 )\n SAVSPEC = PSPEC( 2 )\n SAVCOEF = YCOEF( 2 )\n PINDX( 2 ) = PINDX( P )\n PSPEC( 2 ) = PSPEC( P )\n YCOEF( 2 ) = YCOEF( P )\n PINDX( P ) = SAVINDX\n PSPEC( P ) = SAVSPEC\n YCOEF( P ) = SAVCOEF\n EXIT\n END IF\n END DO\n END IF\n\n\nc..List the reactants\n IF( NREACT( IRX ) .EQ. 0 ) THEN\n RXOUT = '='\n EPOS = 1\n ELSE\n IND = IRR( IRX, 1 ) \n RXOUT = ADJUSTL( RSPEC( 1 ) )\n EPOS = LEN_TRIM( RXOUT )\n DO R = 2, NREACT( IRX )\n RXOUT = RXOUT( 1 : EPOS ) // '+' // ADJUSTL( RSPEC( R ) )\n EPOS = LEN_TRIM( RXOUT )\n END DO\n RXOUT = RXOUT( 1 : EPOS ) // '='\n EPOS = EPOS + 1\n IF( EPOS .GE. LEN_RXOUT )RETURN\n END IF\n\n\nc..List the products\n DO P = 1, NPRDCT( IRX )\n CALL CMPRS_COEF( COUT, SGN, YCOEF( P ) )\n IF( P .GT. 1 .OR. ( P .EQ. 1 .AND. SGN .EQ. '-' ) ) THEN\n RXOUT = RXOUT( 1 : EPOS ) // SGN\n EPOS = EPOS + 1\n IF( EPOS .GE. LEN_RXOUT )RETURN\n END IF\n EP = LEN_TRIM( COUT ) \n IF( EP .GT. 0 ) THEN \n RXOUT = RXOUT( 1 : EPOS ) // COUT( 1 : EP ) // '*'\n EPOS = LEN_TRIM( RXOUT )\n END IF\n RXOUT = RXOUT( 1 : EPOS ) // PSPEC( P )\n EPOS = LEN_TRIM( RXOUT )\n END DO\n\n RETURN\n\n END\n\n SUBROUTINE TRIM_RXN( RXOUT, NPOS )\n\nC**********************************************************************\nC\nC FUNCTION: Trim the reaction line \nC\nC PRECONDITIONS: None\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by Jerry Gipson, February, 2004\nC\nC**********************************************************************\n USE ENV_VARS\n USE GLOBAL_DATA\n USE RXNS_DATA ! mechanism data and specifications\n\n\n IMPLICIT NONE\n\nC..INCLUDES: None\n \nC..ARGUMENTS:\n CHARACTER( * ) :: RXOUT ! Reactant or Product code\n\n INTEGER :: NPOS ! No of characters in string\n\nC..PARAMETERS: None\n\nC..EXTERNAL FUNCTIONS: None\n\nC..SAVED LOCAL VARIABLES: None\n CHARACTER( 16 ), SAVE :: PNAME = 'TRIM_RXN' ! Program name\n \nC..SCRATCH LOCAL VARIABLES:\n INTEGER :: ERX\n INTEGER :: N, P\n\nC**********************************************************************\n\n ERX = LEN_TRIM( RXOUT ) \n\n IF( ERX .LE. NPOS ) RETURN\n\n DO N = ERX, 1, -1\n\n IF( RXOUT( N : N ) .EQ. '+' .OR. RXOUT( N : N ) .EQ. '-' .OR.\n & RXOUT( N : N ) .EQ. '=' ) THEN\n IF( N + 3 .GT. NPOS ) THEN\n CYCLE\n ELSE\n RXOUT( N + 1 : N + 3 ) = '...'\n DO P = N + 4 , ERX\n RXOUT( P : P ) = ' '\n END DO\n EXIT\n END IF\n END IF\n END DO\n \n RETURN\n\n END\n\n\n SUBROUTINE BLD_OUTLINE( LINTYP, VNAME, PLSPEC, PLIND, COEFF, IRX,\n & GRPNO, NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\nC**********************************************************************\nC\nC FUNCTION: Build the output line for specified variable name\nC\nC PRECONDITIONS: None\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by Jerry Gipson, February, 2004\nC\nC**********************************************************************\n USE ENV_VARS\n USE GLOBAL_DATA\n !!USE M3UTILIO ! IOAPI parameters and declarations\n USE RXNS_DATA ! mechanism data and specifications\n\n\n IMPLICIT NONE\n\nC..INCLUDES:\n\n \n \nC..ARGUMENTS:\n CHARACTER( * ) :: LINTYP ! Reactant or Product code\n CHARACTER( * ) :: LINOUT ! Reactant or Product code\n CHARACTER( * ) :: VNAME ! Reactant or Product code\n CHARACTER( * ) :: PLSPEC ! Reactant or Product code\n\n INTEGER :: IRX ! No of characters in string\n INTEGER :: NPOS ! No of characters in string\n INTEGER :: GRPNO ! group number\n INTEGER :: PLIND ! species index\n INTEGER :: RPOS1 ! Index of 1st reactant\n INTEGER :: RPOS2 ! Index of 2nd reactant\n INTEGER :: PPOS1 ! Index of 1st product\n INTEGER :: PPOS2 ! Index of 2nd product\n\n LOGICAL :: LRXN1 ! Flag for first reaction\n\n REAL( 8 ) :: COEFF\n\nC..PARAMETERS: None\n\nC..EXTERNAL FUNCTIONS: None\n\nC..SAVED LOCAL VARIABLES: None\n CHARACTER( 16 ), SAVE :: PNAME = 'BLD_OUTLINE' ! Program name\n \nC..SCRATCH LOCAL VARIABLES:\n CHARACTER( 256 ) :: MSG ! Message text\n CHARACTER( 150 ) :: RXOUT ! Compressed rxn line\n CHARACTER( CL ) :: SPOUT ! Ouput species\n CHARACTER( 16 ) :: SPEC \ncglg CHARACTER*( 16 ) :: FILLR\n CHARACTER*( 80 ) :: FILLR \n CHARACTER*( 30 ) :: VOUT ! Output variable name\n CHARACTER*( 5 ) :: RNUM ! Reaction number\n CHARACTER*( 15 ) :: COUT ! Output coefficient\n CHARACTER*( 1 ) :: SGN ! Coefficient sign\n\n INTEGER :: NR ! Number of reactants\n INTEGER :: EPOS, EV ! end pos of string\n INTEGER :: ERX ! end pos of reaction string\n INTEGER :: N, R, S ! Loop indices\n\n INTEGER :: RCT( MXRCT )\n \nC..SAVED LOCAL VARIABLES\n CHARACTER( 1 ), SAVE :: GROUP ! Group no (character)\n\n\n INTEGER, SAVE :: KO3_O1D = 0 \n INTEGER, SAVE :: KNO2_NO2EX = 0 \n\nC..SAVED LOGICAL VARIABLES\n LOGICAL, SAVE :: LFIRST = .TRUE. ! First call flag\n LOGICAL, SAVE :: FLAG_OH_S = .TRUE. ! controls OH_S write\n LOGICAL, SAVE :: FLAG_HO2_S = .TRUE. ! controls HO2_S write\n LOGICAL, SAVE :: USE_YCP = .FALSE. ! whether to YC or YCP\n\nC**********************************************************************\n\n IF( LFIRST ) THEN\n\n LFIRST = .FALSE.\n\nc..Find some special reactions and save their reaction number\n\n DO N = 1, NRXNS\n\nc..O3-->O1D\n IF( IRR( N, 1 ) .EQ. O3 .AND. IRR( N, 4 ) .EQ. O1D ) \n & KO3_O1D = N\n\nc..NO2-->NO2EX\n IF( LNO2EX_CYCLE ) THEN\n\n IF( IRR( N, 1 ) .EQ. NO2 .AND. IRR( N, 4 ) .EQ. NO2EX ) \n & KNO2_NO2EX = N\n END IF\n\n END DO \n\n END IF\n\n USE_YCP = .FALSE.\n \n WRITE( GROUP, '(I1)' ) GRPNO\n WRITE( RNUM , '( I5 )' ) IRX\n VOUT = ADJUSTL( VNAME )\n EV = LEN_TRIM( VNAME )\n\n\n DO S = 1, LEN(FILLR)\n FILLR( S : S ) = ' '\n END DO\n\n\n IF( LINTYP .EQ. 'LFREQ' ) THEN ! for \n \n\nc..determine the reactant for the rate expression\n NR = 0\n DO R = 1, MXRCT\n IF( IRR( IRX, R ) .GT. 0 .AND. IRR( IRX, R ) .NE. PLIND ) THEN\n NR = NR + 1\n RCT( NR ) = IRR( IRX, R )\n END IF\n END DO\n\nc..This section is necessary to properly do rxns of type NO+NO=\n IF( NR .EQ. 0 .AND. NREACT( IRX ) .EQ. 2 ) THEN\n NR = 1\n RCT( NR ) = PLIND\n END IF\n\n IF( NR .GT. 1 ) THEN \n MSG = ' '\n WRITE(LOGDEV,'(a)' )TRIM( MSG )\n MSG = 'Warning: More than 1 reactant for ' // TRIM( VOUT ) \n & // ' term ( Reaction No. ' // TRIM ( RNUM ) // ' )'\n WRITE(LOGDEV,'(a)', ADVANCE = 'NO')TRIM( MSG )\n MSG = ' check correctness of ' // TRIM( PLSPEC ) //\n & ' section in hrg' // TRIM( GROUP ) // '.F'\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n END IF\n\n \nc..build the output line\n COUT = ' '\n IF( COEFF .NE. 1.0D0 ) WRITE( COUT, '( 1PD12.4, A )' ) COEFF, ' * '\n\n IF( LRXN1 ) THEN\n LINOUT = ' ' // VOUT( 1 : EV ) // ' = ' // COUT // \n & 'RKI( ' // RNUM // ' )'\n ELSE\n LINOUT = ' &' // FILLR( 1 : MAX( 1, (EV-1) )) // ' + ' \n & // COUT // 'RKI( ' // RNUM // ' )'\n END IF\n EPOS = LEN_TRIM( LINOUT )\n\n IF( NR .GE. 1 ) THEN\n DO R = 1, NR\n SPOUT = ADJUSTL( SPECIES( RCT( 1 ) ) )\n USE_YCP = ( RCT( R ) .EQ. OH .OR. RCT( R ) .EQ. HO2 \n & .OR. RCT( R ) .EQ. O3P .OR. RCT( R ) .EQ. O3\n & .OR. RCT( R ) .EQ. NO .OR. RCT( R ) .EQ. NO2 ) \n IF( VNAME .EQ. 'L15' .AND. USE_YCP )THEN\n LINOUT = LINOUT( 1 : EPOS ) // ' * YCP( ' // SPOUT // ' )'\n ELSE\n LINOUT = LINOUT( 1 : EPOS ) // ' * YC ( ' // SPOUT // ' )'\n END IF \n EPOS = LEN_TRIM( LINOUT )\n END DO \n ELSE\n DO S = EPOS + 1, EPOS + CL + 10\n LINOUT( S : S ) = ' '\n END DO\n EPOS = EPOS + CL + 10\n END IF\n\n LINOUT = LINOUT( 1 : EPOS ) // ' '\n EPOS = EPOS + 3\n\n CALL CMPRS_RXN( RPOS1, RPOS2, PPOS1, PPOS2, IRX, RXOUT )\n\n CALL TRIM_RXN( RXOUT, NPOS )\n ERX = LEN_TRIM( RXOUT ) \n \n LINOUT = LINOUT( 1 : EPOS ) // '! ' // RXOUT( 1 : ERX )\n \n RETURN\n\n ELSEIF( LINTYP .EQ. 'RXRAT' ) THEN ! for \n \n COUT = ' '\n IF( COEFF .NE. 1.0D0 ) WRITE( COUT, '( 1PD12.4, A )' ) COEFF, ' * '\n\nc..special case for O3=O1D\n IF( VNAME .EQ. 'P12' .AND. IRR( IRX, 1 ) .EQ. O3 .AND.\n & IRR( IRX, 4 ) .EQ. O1D )\n & COUT = ' O3P_S * '\n\nc..special case for NO2EX=NO2 -- relate it to NO2->NO2EX\n IF( LNO2EX_CYCLE ) THEN\n IF( VNAME .EQ. 'P2' .AND. IRR( IRX, 1 ) .EQ. NO2EX .AND.\n & IRR( IRX, 4 ) .EQ. NO2 ) THEN\n WRITE( RNUM , '( I5 )' ) KNO2_NO2EX\n COUT = ' NO2_S * '\n END IF\n END IF\n\n\nc..Special case for OH being formed form O1D -- relate it to O3\n IF( VNAME .EQ. 'P4' .AND. IRR( IRX, 1 ) .EQ. O1D .AND.\n & IRR( IRX, 4 ) .EQ. OH ) THEN\n IF( FLAG_OH_S )THEN\n WRITE( RNUM , '( I5 )' ) KO3_O1D\n COUT = ' OH_S * ' \n ELSE \n LINOUT = ' '\n RETURN\n END IF\n FLAG_OH_S = .FALSE.\n END IF\n\nc..Special case for HO2 being formed form O1D via H2 -- relate it to O3\n IF( VNAME .EQ. 'P5' .AND. IRR( IRX, 1 ) .EQ. O1D .AND.\n & (PPOS1 .EQ. HO2 .OR. PPOS2 .EQ. HO2) ) THEN\n IF( FLAG_HO2_S )THEN \n WRITE( RNUM , '( I5 )' ) KO3_O1D\n COUT = ' HO2_S * ' \n ELSE \n LINOUT = ' '\n RETURN\n END IF\n FLAG_HO2_S = .FALSE.\n END IF\n\nc..Special case for OH being formed from NO2EX -- relate it to NO2 \n IF( LNO2EX_CYCLE ) THEN\n IF( VNAME .EQ. 'P4' .AND. IRR( IRX, 1 ) .EQ. NO2EX .AND.\n & ( IRR( IRX, 4 ) .EQ. OH .OR. IRR( IRX, 5 ) .EQ. OH ) ) THEN\n WRITE( RNUM , '( I5 )' ) KNO2_NO2EX\n COUT = ' XOH_S * '\n END IF\n END IF\n\nc..Special case for HONO being formed from NO2EX -- relate it to NO2 \n IF( LNO2EX_CYCLE ) THEN\n IF( VNAME .EQ. 'P19' .AND. IRR( IRX, 1 ) .EQ. NO2EX .AND.\n & ( IRR( IRX, 4 ) .EQ. HONO .OR. IRR( IRX, 5 ) .EQ. HONO ) ) THEN\n WRITE( RNUM , '( I5 )' ) KNO2_NO2EX\n COUT = ' XOH_S * '\n END IF\n END IF\n\n\n IF( LRXN1 ) THEN\n IF( VNAME .EQ. 'P15' ) THEN\n LINOUT = ' ' // VNAME( 1 : EV ) // ' = ' // COUT //\n & 'RKI( ' // RNUM // ' )'\n DO R = 1, NREACT( IRX )\n EPOS = LEN_TRIM( LINOUT )\n S = IRR( IRX,R )\n SPOUT(1:CL) = SPECIES( S )(1:CL)\n IF( S .EQ. O3P .OR. S .EQ. NO2 .OR. S .EQ. O3 . OR. S .EQ. OH )THEN\n LINOUT = LINOUT(1:EPOS) \n & // ' * YCP( ' // SPOUT(1:CL) // ' ) '\n ELSE\n LINOUT = LINOUT(1:EPOS)\n & // ' * YC ( ' // SPOUT(1:CL) // ' ) '\n END IF\n END DO\n ELSE\n LINOUT = ' ' // VNAME( 1 : EV ) // ' = ' // COUT //\n & 'RXRAT( ' // RNUM // ' )'\n END IF\n ELSE\n IF( VNAME .EQ. 'P15' ) THEN\n LINOUT = ' &' // FILLR( 1 : MAX( 1, (EV-1) )) // ' + ' \n & // COUT // 'RKI( ' // RNUM // ' )'\n DO R = 1, NREACT( IRX )\n EPOS = LEN_TRIM( LINOUT )\n S = IRR( IRX,R )\n SPOUT(1:CL) = SPECIES( S )(1:CL)\n IF( S .EQ. O3P .OR. S .EQ. NO2 .OR. S .EQ. O3 . OR. S .EQ. OH )THEN\n LINOUT = LINOUT(1:EPOS) \n & // ' * YCP( ' // SPOUT(1:CL) // ' ) '\n ELSE\n LINOUT = LINOUT(1:EPOS) \n & // ' * YC ( ' // SPOUT(1:CL) // ' ) '\n END IF\n END DO \n ELSE\n LINOUT = ' &' // FILLR( 1 : MAX( 1, (EV-1) )) // ' + ' \n & // COUT // 'RXRAT( ' // RNUM // ' )'\n END IF\n END IF\n\n READ( RNUM, '(I5)' ) N\n L_RXFLAG( N ) = .TRUE.\n\n IF( VNAME .EQ. 'P15' ) THEN\n S = MAXVAL( NREACT ) - NREACT( IRX ) \n EPOS = LEN_TRIM( LINOUT )\n DO R = 1, S\n LINOUT = LINOUT( 1 : EPOS ) // FILLR( 1:(CL+10) )\n EPOS = EPOS + CL + 10\n END DO\n LINOUT = LINOUT( 1 : EPOS ) // ' '\n EPOS = EPOS + 6\n ELSE\n EPOS = LEN_TRIM( LINOUT )\n LINOUT = LINOUT( 1 : EPOS ) // ' '\n EPOS = EPOS + 6\n END IF \n\n CALL CMPRS_RXN( RPOS1, RPOS2, PPOS1, PPOS2, IRX, RXOUT )\n CALL TRIM_RXN( RXOUT, NPOS )\n ERX = LEN_TRIM( RXOUT ) \n\n LINOUT = LINOUT( 1 : EPOS ) // '! ' // RXOUT( 1 : ERX )\n\n\n RETURN\n\n END IF\n\n END\n\n\n\n SUBROUTINE LCASE( BUFFER )\n\nC**********************************************************************\nC\nC FUNCTION: Converts string uppper case letters to lower case \nC\nC PRECONDITIONS: None\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by Jerry Gipson, March, 2004\nC\nC**********************************************************************\n\n IMPLICIT NONE\n\nC..INCLUDES: None\n \nC..ARGUMENTS:\n CHARACTER( * ) :: BUFFER ! Reactant or Product code\n\nC..PARAMETERS:\n INTEGER, PARAMETER :: CAPS = 65\n INTEGER, PARAMETER :: CAPE = 90\n INTEGER, PARAMETER :: DIFF = 32\n \n\nC..EXTERNAL FUNCTIONS: None\n\nC..SAVED LOCAL VARIABLES: None\n \nC..SCRATCH LOCAL VARIABLES:\n INTEGER I, L, C\n\n \n\n\nC**********************************************************************\n L = LEN ( BUFFER )\n\n DO I = 1 , L\n C = ICHAR ( BUFFER ( I : I ) )\n IF ( C .GE. CAPS .AND. C .LE. CAPE )\n & BUFFER ( I : I ) = CHAR ( C + DIFF )\n END DO\n\n RETURN\n\n END\n\n" }, { "path": "UTIL/create_ebi/src/wr_calcks.F", "content": " SUBROUTINE WR_CALCKS\n\nC**********************************************************************\nC\nC FUNCTION: Create source code for the hrcalcks subroutine in EBI\nC\nC PRECONDITIONS: None\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by Jerry Gipson, February, 2004\nC\nC**********************************************************************\n USE ENV_VARS\n USE GLOBAL_DATA\n !!USE M3UTILIO ! IOAPI parameters and declarations\n USE RXNS_DATA ! mechanism data and specifications\n\n IMPLICIT NONE\n\nC..INCLUDES: \n! INCLUDE SUBST_IOPARMS ! IOAPI parameters\n! INCLUDE SUBST_IODECL ! IOAPI declarations\n \n \nC..ARGUMENTS: None\n\nC..PARAMETERS: None\n\nC..EXTERNAL FUNCTIONS:\n INTEGER JUNIT ! gets unit no.\n\nC..SAVED LOCAL VARIABLES: None\n \nC..SCRATCH LOCAL VARIABLES:\n CHARACTER( 16 ) :: PNAME = 'WR_CALCKS' ! Program name\n CHARACTER( 256 ) :: MSG ! Message text\n CHARACTER( 100 ) :: LINEIN ! Input line\n CHARACTER( 256 ) :: FNAME ! Name of file to open\n\n INTEGER :: EPOS ! end pos of string\n INTEGER :: IIN ! Unit no. of input file\n INTEGER :: IOUT ! Unit no. of output file\n\n LOGICAL :: LOUT1 = .FALSE. ! Flag for group 1 output processed\n LOGICAL :: LOUT2 = .FALSE. ! Flag for group 2 output processed\n LOGICAL :: LOUT3 = .FALSE. ! Flag for group 3 output processed\n\nC**********************************************************************\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Open ouput file and code template \nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n EPOS = LEN_TRIM( OUTPATH )\n\n FNAME = OUTPATH( 1 : EPOS ) // '/hrcalcks.F' \n\n IOUT = JUNIT()\n\n OPEN( UNIT = IOUT, FILE = FNAME, ERR = 9000 )\n\n\n IIN = JUNIT()\n\n EPOS = LEN_TRIM( TMPLPATH )\n\n FNAME = TMPLPATH( 1 : EPOS ) // '/hrcalcks.F' \n\n OPEN( UNIT = IIN, FILE = FNAME, ERR = 9000 )\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Start processing\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n IF( LWR_COPY ) CALL WR_COPYRT( IOUT )\n\n IF( LWR_CVS_HDR ) CALL WR_CVSHDR( IOUT )\n\n\n 100 CONTINUE\n\n READ( IIN, 92000, END = 1000 ) LINEIN\n\n IF( LINEIN( 1 : 1 ) .NE. 'R' ) THEN\n\n WRITE( IOUT, 92000 ) LINEIN( 1 : LEN_TRIM( LINEIN ) )\n\n ELSE\n\n IF( LINEIN( 2 : 2 ) .EQ. '1' .AND. .NOT. LOUT1 ) THEN\n\n WRITE( IOUT, 93000 ) CR_DATE( 1 : LEN_TRIM( CR_DATE ) )\n\n LOUT1 = .TRUE. \n\n ELSEIF( LINEIN( 2 : 2 ) .EQ. '2' .AND. .NOT. LOUT2 ) THEN\n\n IF( NSPECIAL .EQ. 0 ) GO TO 100\n\n WRITE( IOUT, 93100 )\n\n LOUT2 = .TRUE.\n\n END IF\n\n END IF\n\n GO TO 100\n\n 1000 CONTINUE\n\n CLOSE( IIN )\n\n CLOSE( IOUT )\n\n NOUTFLS = NOUTFLS + 1\n OUTFLNAM( NOUTFLS ) = 'hrcalcks.F'\n \n\n RETURN \n\n 9000 MSG = 'ERROR: Could not open ' // FNAME( 1 : LEN_TRIM( FNAME ) )\n\n WRITE(LOGDEV,'(a)')TRIM( PNAME ) // ': ' // TRIM( MSG )\n STOP\n \n92000 FORMAT( A )\n\n93000 FORMAT( 'C REVISION HISTORY: Created by EBI solver program, ', A )\n\n93100 FORMAT( 'ccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc' \n & /'c Set rate constants using concentration-dependent forms to zero'\n & /'ccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc'\n & / 1X\n & /' DO NRT = 1, NSPECIAL_RXN'\n & /' IRXN = ISPECIAL( NRT, 1 )'\n & /' RK( NCELL, IRXN ) = 0.0'\n & /' END DO'\n & / 1X )\n\n END\n" }, { "path": "UTIL/create_ebi/src/wr_copyrt.F", "content": " SUBROUTINE WR_COPYRT( IOUT )\n\nC**********************************************************************\nC\nC FUNCTION: Create source code for the driver for the EBI solver\nC\nC PRECONDITIONS: None\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by Jerry Gipson, February, 2004\nC\nC**********************************************************************\n USE ENV_VARS\n !!USE M3UTILIO ! IOAPI parameters and declarations\n\n IMPLICIT NONE\n\nC..INCLUDES: \n \nC..ARGUMENTS:\n INTEGER :: IOUT ! Unit no. of output file\n\nC..PARAMETERS:\n INTEGER, PARAMETER :: MXLINES = 50 ! Max no of copyright lines\n\nC..EXTERNAL FUNCTIONS:\n INTEGER JUNIT ! gets unit no.\n\nC..SAVED LOCAL VARIABLES:\n CHARACTER( 100 ), SAVE :: COPYRT( MXLINES ) ! Copyright text\n\n INTEGER, SAVE :: NLIN ! No. of copyright lines\n\n LOGICAL, SAVE :: LFIRST = .TRUE. \n \nC..SCRATCH LOCAL VARIABLES:\n CHARACTER( 16 ) :: PNAME = 'WR_COPYRT' ! Program name\n CHARACTER( 16) :: MNAME ! Mech name to write\n CHARACTER( 16 ) :: MOUT ! Mech name for putput\n CHARACTER( 256 ) :: MSG ! Message text\n CHARACTER( 100 ) :: LINEIN ! Input line\n CHARACTER( 256 ) :: FNAME ! Name of file to open\n\n INTEGER :: E1 ! end pos of string\n INTEGER :: IIN ! Unit no. of input file\n INTEGER :: N !\n\n\nC**********************************************************************\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Open ouput file and driver template \nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF( LFIRST ) THEN\n \n IIN = JUNIT()\n\n E1 = LEN_TRIM( TMPLPATH )\n\n FNAME = TMPLPATH( 1 : E1 ) // '/copyright.txt' \n\n OPEN( UNIT = IIN, FILE = FNAME, ERR = 9000 )\n\n NLIN = 0\n\n 100 CONTINUE\n\n READ( IIN, 92000, END = 9000 ) LINEIN\n\n NLIN = NLIN + 1\n\n IF( NLIN .GE. MXLINES ) THEN\n MSG = 'ERROR: Max no. of copyright lines exceeded;' //\n & ' it will not be written'\n WRITE(LOGDEV,'(a)')TRIM( PNAME ) // ': ' // TRIM( MSG )\n NLIN = 0\n GO TO 9000\n END IF\n\n COPYRT( NLIN ) = LINEIN\n\n GO TO 100\n\n 9000 CONTINUE\n\n LFIRST = .FALSE.\n\n CLOSE( IIN )\n\n END IF\n\n IF( NLIN .GT. 0 ) THEN\n\n DO N = 1, NLIN\n\n E1 = LEN_TRIM( COPYRT( N ) ) \n \n WRITE( IOUT, 92000 ) COPYRT( N )( 1 : E1 )\n \n END DO\n\n WRITE( IOUT, 92000 ) \n\n END IF\n\n RETURN\n\n92000 FORMAT( A )\n\n END \n" }, { "path": "UTIL/create_ebi/src/wr_cvshdr.F", "content": " SUBROUTINE WR_CVSHDR( IOUT )\n\nC**********************************************************************\nC\nC FUNCTION: Write the CVS header lines for the EBI solver\nC\nC PRECONDITIONS: None\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by Jerry Gipson, February, 2004\nC\nC**********************************************************************\n USE ENV_VARS\n !!USE M3UTILIO ! IOAPI parameters and declarations\n\n IMPLICIT NONE\n\nC..INCLUDES: \n! INCLUDE SUBST_IOPARMS ! IOAPI parameters\n! INCLUDE SUBST_IODECL ! IOAPI declarations\n \nC..ARGUMENTS:\n INTEGER :: IOUT ! Unit no. of output file\n\nC..PARAMETERS:\n INTEGER, PARAMETER :: MXLINES = 10 ! Max no of copyright lines\n\nC..EXTERNAL FUNCTIONS:\n INTEGER JUNIT ! gets unit no.\n\nC..SAVED LOCAL VARIABLES:\n CHARACTER( 100 ), SAVE :: CVSHDR( MXLINES ) ! Copyright text\n\n INTEGER, SAVE :: NLIN ! No. of copyright lines\n\n LOGICAL, SAVE :: LFIRST = .TRUE. \n \n \nC..SCRATCH LOCAL VARIABLES:\n CHARACTER( 16 ) :: PNAME = 'WR_CVSHDR' ! Program name\n CHARACTER( 16) :: MNAME ! Mech name to write\n CHARACTER( 16 ) :: MOUT ! Mech name for putput\n CHARACTER( 256 ) :: MSG ! Message text\n CHARACTER( 100 ) :: LINEIN ! Input line\n CHARACTER( 256 ) :: FNAME ! Name of file to open\n\n INTEGER :: E1 ! end pos of string\n INTEGER :: IIN ! Unit no. of input file\n INTEGER :: N\n \n\nC**********************************************************************\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Open ouput file and driver template \nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF( LFIRST ) THEN\n \n IIN = JUNIT()\n\n E1 = LEN_TRIM( TMPLPATH )\n\n FNAME = TMPLPATH( 1 : E1 ) // '/cvs_header.txt' \n\n OPEN( UNIT = IIN, FILE = FNAME, ERR = 9000 )\n\n NLIN = 0\n \n 100 CONTINUE\n\n READ( IIN, 92000, END = 1000 ) LINEIN\n\n NLIN = NLIN + 1\n\n IF( NLIN .GE. MXLINES ) THEN\n MSG = 'ERROR: Max no. of CVS header lines exceeded;' //\n & ' it will not be written'\n WRITE(LOGDEV,'(a)')TRIM( PNAME ) // ': ' // TRIM( MSG )\n STOP\n NLIN = 0\n GO TO 9000\n END IF\n\n CVSHDR( NLIN ) = LINEIN\n\n GO TO 100\n\n 1000 CONTINUE\n\n LFIRST = .FALSE.\n\n CLOSE( IIN )\n\n END IF\n\n IF( NLIN .GT. 0 ) THEN\n\n DO N = 1, NLIN\n\n E1 = LEN_TRIM( CVSHDR( N ) ) \n \n WRITE( IOUT, 92000 ) CVSHDR( N )( 1 : E1 )\n \n END DO\n\n WRITE( IOUT, 92000 ) \n\n END IF\n\n RETURN\n\n 9000 MSG = 'ERROR: Could not open ' // FNAME( 1 : LEN_TRIM( FNAME ) )\n\n WRITE(LOGDEV,'(a)')TRIM( PNAME ) // ': ' // TRIM( MSG )\n STOP\n\n92000 FORMAT( A )\n\n END \n" }, { "path": "UTIL/create_ebi/src/wr_data.F", "content": " SUBROUTINE WR_DATA\n\nC**********************************************************************\nC\nC FUNCTION: Create source code for the hrdata module in EBI\nC\nC PRECONDITIONS: None\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by Jerry Gipson, February, 2004\nC Modified 7/09 to include SSA - J. Gipson\nC\nC**********************************************************************\n USE ENV_VARS\n USE GLOBAL_DATA\n !!USE M3UTILIO ! IOAPI parameters and declarations\n USE RXNS_DATA\n\n IMPLICIT NONE\n\nC..INCLUDES: \n\n \n \nC..ARGUMENTS: None\n\nC..PARAMETERS: None\n\nC..EXTERNAL FUNCTIONS:\n INTEGER JUNIT ! gets unit no.\n! INTEGER INDEX1 ! find position of string in list\n\nC..SAVED LOCAL VARIABLES: None\n \nC..SCRATCH LOCAL VARIABLES:\n CHARACTER( 16 ) :: PNAME = 'WR_DATA' ! Program name\n CHARACTER( 256 ) :: MSG ! Message text\n CHARACTER( 100 ) :: LINEIN ! Input line\n CHARACTER( 256 ) :: FNAME ! Name of file to open\n\n INTEGER :: EPOS ! end pos of string\n INTEGER :: IND ! array index\n INTEGER :: IIN ! Unit no. of input file\n INTEGER :: IOUT ! Unit no. of output file\n INTEGER :: N ! Loop index\n\n LOGICAL :: LOUT1 = .FALSE. ! Flag for line 1 output processed\n LOGICAL :: LOUT2 = .FALSE. ! Flag for line 2 output processed\n LOGICAL :: LOUT3 = .FALSE. ! Flag for line 3 output processed\n LOGICAL :: LOUT4 = .FALSE. ! Flag for group 4 output processed\n LOGICAL :: LOUT5 = .FALSE. ! Flag for group 5 output processed\n LOGICAL :: LOUT6 = .FALSE. ! Flag for line 6 output processed\n\n\nC**********************************************************************\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Open ouput file and code template \nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n EPOS = LEN_TRIM( OUTPATH )\n\n FNAME = OUTPATH( 1 : EPOS ) // '/hrdata_mod.F' \n\n IOUT = JUNIT()\n\n OPEN( UNIT = IOUT, FILE = FNAME, ERR = 9000 )\n\n\n IIN = JUNIT()\n\n EPOS = LEN_TRIM( TMPLPATH )\n\n FNAME = TMPLPATH( 1 : EPOS ) // '/hrdata_mod.F' \n\n OPEN( UNIT = IIN, FILE = FNAME, ERR = 9000 )\n\n\n IF( LWR_COPY ) CALL WR_COPYRT( IOUT )\n\n IF( LWR_CVS_HDR ) CALL WR_CVSHDR( IOUT )\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Read, modify, and write code from template\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n 100 CONTINUE\n\n READ( IIN, 92000, END = 1000 ) LINEIN\n\n IF( LINEIN( 1 : 1 ) .NE. 'R' ) THEN\n\n WRITE( IOUT, 92000 ) LINEIN( 1 : LEN_TRIM( LINEIN ) )\n\n ELSE\n\n IF( LINEIN( 2 : 2 ) .EQ. '1' .AND. .NOT. LOUT1 ) THEN\n\n WRITE( IOUT, 93000 ) TRIM( MECHNAME )\n\n LOUT1 = .TRUE. \n\n ELSEIF( LINEIN( 2 : 2 ) .EQ. '2' .AND. .NOT. LOUT2 ) THEN\n\n WRITE( IOUT, 93020 ) CR_DATE( 1 : LEN_TRIM( CR_DATE ) )\n\n LOUT2 = .TRUE. \n \n ELSEIF( LINEIN( 2 : 2 ) .EQ. '3' .AND. .NOT. LOUT3 ) THEN\n\n IF( LPAR_NEG ) WRITE( IOUT, 93040 ) \n\n LOUT3 = .TRUE.\n\n ELSEIF( LINEIN( 2 : 2 ) .EQ. '5' .AND. .NOT. LOUT5 ) THEN\n\n IF( LDEGRADE_SUBS ) WRITE( IOUT, 93045 ) LINEIN( 3 : LEN_TRIM( LINEIN ) )\n\n LOUT5 = .FALSE.\n\n ELSEIF( LINEIN( 2 : 2 ) .EQ. '6' .AND. .NOT. LOUT6 ) THEN\n\n WRITE( IOUT, 93082 ) REAL( TIME_STEP,8 )\n\n LOUT6 = .TRUE. \n \n END IF\n\n END IF\n\n GO TO 100\n\n 1000 CONTINUE\n\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Generate the species indices\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n WRITE( IOUT, 93050 )\n\n DO N = 1, N_SPECIES\n\n EPOS = 16 ! LEN_TRIM( SPECIES( N ) )\n \n WRITE( IOUT, 93081 ) SPECIES( N ) ( 1 : EPOS ), N\n\n END DO\n\n WRITE( IOUT, 93140 )\n\n CLOSE( IIN )\n\n CLOSE( IOUT )\n\n NOUTFLS = NOUTFLS + 1\n OUTFLNAM( NOUTFLS ) = 'hrdata_mod.F'\n\n RETURN \n\n 9000 MSG = 'ERROR: Could not open ' // FNAME( 1 : LEN_TRIM( FNAME ) )\n\n WRITE(LOGDEV,'(a)')TRIM( PNAME ) // ': ' // TRIM( MSG )\n STOP\n \n92000 FORMAT( A )\n\n93000 FORMAT( 'C PRECONDITIONS: For the ', A, ' mechanism' )\n93020 FORMAT( 'C REVISION HISTORY: Created by EBI solver program, ', A )\n93040 FORMAT( 6X, 'REAL( 8 ), ALLOCATABLE :: PNEG( : )',\n & '! Negative production rates' )\n93050 FORMAT( 'c..Species indices' )\n93060 FORMAT( 'c..Gas species indices' )\n93080 FORMAT( 6X, 'INTEGER :: ', A16,' = ',I4 )\n93081 FORMAT( 6X, 'INTEGER, PARAMETER :: ', A16,' = ',I4 )\n93082 FORMAT( 6X, 'REAL( 8 ), PARAMETER :: DELTAT = ', 1PD9.3, ' ! EBI time step (min)' )\n93100 FORMAT( /'c..Aerosol species indices' )\n93120 FORMAT( /'c..AQ chemistry species indices' )\n93140 FORMAT( /6X, 'END MODULE HRDATA' )\n93045 FORMAT( 2X, A )\n END\n\n" }, { "path": "UTIL/create_ebi/src/wr_driver.F", "content": " SUBROUTINE WR_DRIVER\n\nC**********************************************************************\nC\nC FUNCTION: Create source code for the driver for the EBI solver\nC\nC PRECONDITIONS: None\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by Jerry Gipson, February, 2004\nC\nC**********************************************************************\n USE ENV_VARS\n USE GLOBAL_DATA\n !!USE M3UTILIO ! IOAPI parameters and declarations\n USE RXNS_DATA ! mechanism data and specifications\n\n IMPLICIT NONE\n\nC..INCLUDES: \n\n \nC..ARGUMENTS: None\n\nC..PARAMETERS: None\n\nC..EXTERNAL FUNCTIONS:\n INTEGER JUNIT ! gets unit no.\n\nC..SAVED LOCAL VARIABLES: None\n \nC..SCRATCH LOCAL VARIABLES:\n CHARACTER( 16 ) :: PNAME = 'WR_DRIVER' ! Program name\n CHARACTER( 32) :: MNAME ! Mech name to write\n CHARACTER( 32 ) :: MOUT ! Mech name for putput\n CHARACTER( 256 ) :: MSG ! Message text\n CHARACTER( 140 ) :: LINEIN ! Input line\n CHARACTER( 256 ) :: FNAME ! Name of file to open\n CHARACTER( 4 ) :: COM_AE_TAG ! Compatible Aerosol version\n\n INTEGER :: EPOS ! end pos of string\n INTEGER :: IIN ! Unit no. of input file\n INTEGER :: IOUT ! Unit no. of output file\n INTEGER :: NMECH ! No. of mechanism names to check\n INTEGER :: N ! Loop index\n\n LOGICAL :: LOUT0 = .FALSE. ! Flag for group 0 output processed\n LOGICAL :: LOUT1 = .FALSE. ! Flag for group 1 output processed\n LOGICAL :: LOUT2 = .FALSE. ! Flag for group 2 output processed\n LOGICAL :: LOUT3 = .FALSE. ! Flag for group 3 output processed\n LOGICAL :: LOUT4 = .FALSE. ! Flag for group 4 output processed\n LOGICAL :: LOUT5 = .FALSE. ! Flag for group 5 output processed\n\nC**********************************************************************\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Open ouput file and driver template \nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n EPOS = LEN_TRIM( OUTPATH )\n\n FNAME = OUTPATH( 1 : EPOS ) // '/hrdriver.F' \n\n IOUT = JUNIT()\n\n OPEN( UNIT = IOUT, FILE = FNAME, ERR = 9000 )\n\n\n IIN = JUNIT()\n\n EPOS = LEN_TRIM( TMPLPATH )\n\n FNAME = TMPLPATH( 1 : EPOS ) // '/hrdriver.F' \n\n OPEN( UNIT = IIN, FILE = FNAME, ERR = 9000 )\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Start processing\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n IF( LWR_COPY ) CALL WR_COPYRT( IOUT )\n\n IF( LWR_CVS_HDR ) CALL WR_CVSHDR( IOUT )\n\n\n 100 CONTINUE\n\n READ( IIN, 92000, END = 1000 ) LINEIN\n\n IF( LINEIN( 1 : 1 ) .NE. 'R' ) THEN\n\n WRITE( IOUT, 92000 ) LINEIN( 1 : LEN_TRIM( LINEIN ) )\n\n ELSE\n\n IF( LINEIN( 2 : 2 ) .EQ. '1' .AND. .NOT. LOUT1 ) THEN\n\n WRITE( IOUT, 93000 ) TRIM( MECHNAME )\n\n LOUT1 = .TRUE. \n\n ELSEIF( LINEIN( 2 : 2 ) .EQ. '2' .AND. .NOT. LOUT2 ) THEN\n\n WRITE( IOUT, 93020 ) CR_DATE( 1 : LEN_TRIM( CR_DATE ) )\n\n LOUT2 = .TRUE. \n \n ELSEIF( LINEIN( 2 : 2 ) .EQ. '0' .AND. .NOT. LOUT0 ) THEN\n\n LOUT0 = .TRUE. \n\n ELSEIF( LINEIN( 2 : 2 ) .EQ. '3' .AND. .NOT. LOUT3 ) THEN\n\n WRITE( IOUT, 93080)TRIM( MECHNAME )\n\n LOUT3 = .TRUE.\n\n ELSEIF( LINEIN( 2 : 2 ) .EQ. '4' .AND. .NOT. LOUT4 ) THEN\n\n WRITE( IOUT, 93110 ) TRIM( MECHNAME )\n\n LOUT4 = .TRUE.\n\n ELSEIF( LINEIN( 2 : 2 ) .EQ. '5' .AND. .NOT. LOUT5 ) THEN\n\n IF( LDEGRADE_SUBS ) WRITE( IOUT, 93046 ) LINEIN( 3 : LEN_TRIM( LINEIN ) )\n\n LOUT5 = .FALSE.\n\n END IF\n\n END IF\n\n GO TO 100\n\n 1000 CONTINUE\n\n CLOSE( IIN )\n\n CLOSE( IOUT )\n\n NOUTFLS = NOUTFLS + 1\n OUTFLNAM( NOUTFLS ) = 'hrdriver.F'\n\n RETURN \n\n 9000 MSG = 'ERROR: Could not open ' // FNAME( 1 : LEN_TRIM( FNAME ) )\n\n WRITE(LOGDEV,'(a)')TRIM( PNAME ) // ': ' // TRIM( MSG )\n STOP\n \n92000 FORMAT( A )\n\n93000 FORMAT( 'C PRECONDITIONS: For the ', A, ' mechanism' )\n93020 FORMAT( 'C REVISION HISTORY: Created by EBI solver program, ', A )\n93029 FORMAT( 11X,'USE RXNS_FUNCTION, ONLY : SPECIAL_RATES' )\n93030 FORMAT( 9X, 'IF( MECHNAME .NE. ''' , A, ''' ) THEN') \n93040 FORMAT( 9X, 'IF( MECHNAME .NE. ''' , A, ''' .AND.' ) \n93046 FORMAT( A )\n93060 FORMAT( 5X, '& MECHNAME .NE. ''', A, ''' .AND.' ) \n93080 FORMAT( 9X, 'IF( MECHNAME .NE. ''' , A, ''' ) THEN') \n93100 FORMAT( 5X, '& // '' the ', A, ' chemical mechanisms''' )\n93110 FORMAT( 5X, '& // '' the ', A, ' chemical mechanism''' )\n\n END\n" }, { "path": "UTIL/create_ebi/src/wr_driver.F.original", "content": " SUBROUTINE WR_DRIVER\n\nC**********************************************************************\nC\nC FUNCTION: Create source code for the driver for the EBI solver\nC\nC PRECONDITIONS: None\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by Jerry Gipson, February, 2004\nC\nC**********************************************************************\n USE ENV_VARS\n\n IMPLICIT NONE\n\nC..INCLUDES: \n INCLUDE SUBST_IOPARMS ! IOAPI parameters\n INCLUDE SUBST_IODECL ! IOAPI declarations\n \nC..ARGUMENTS: None\n\nC..PARAMETERS: None\n\nC..EXTERNAL FUNCTIONS:\n INTEGER JUNIT ! gets unit no.\n\nC..SAVED LOCAL VARIABLES: None\n \nC..SCRATCH LOCAL VARIABLES:\n CHARACTER( 16 ) :: PNAME = 'WR_DRIVER' ! Program name\n CHARACTER( 16) :: MNAME ! Mech name to write\n CHARACTER( 16 ) :: MOUT ! Mech name for putput\n CHARACTER( 256 ) :: MSG ! Message text\n CHARACTER( 100 ) :: LINEIN ! Input line\n CHARACTER( 256 ) :: FNAME ! Name of file to open\n\n INTEGER :: EPOS ! end pos of string\n INTEGER :: IIN ! Unit no. of input file\n INTEGER :: IOUT ! Unit no. of output file\n INTEGER :: LOGDEV ! Unit no. of logdev\n INTEGER :: NMECH ! No. of mechanism names to check\n INTEGER :: N ! Loop index\n\n LOGICAL :: LOUT1 = .FALSE. ! Flag for group 1 output processed\n LOGICAL :: LOUT2 = .FALSE. ! Flag for group 2 output processed\n LOGICAL :: LOUT3 = .FALSE. ! Flag for group 3 output processed\n LOGICAL :: LOUT4 = .FALSE. ! Flag for group 4 output processed\n\nC**********************************************************************\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Open ouput file and driver template \nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n LOGDEV = INIT3()\n\n EPOS = LEN_TRIM( OUTPATH )\n\n FNAME = OUTPATH( 1 : EPOS ) // '/hrdriver.F' \n\n IOUT = JUNIT()\n\n OPEN( UNIT = IOUT, FILE = FNAME, ERR = 9000 )\n\n\n IIN = JUNIT()\n\n EPOS = LEN_TRIM( TMPLPATH )\n\n FNAME = TMPLPATH( 1 : EPOS ) // '/hrdriver.F' \n\n OPEN( UNIT = IIN, FILE = FNAME, ERR = 9000 )\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Start processing\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n IF( LWR_COPY ) CALL WR_COPYRT( IOUT )\n\n IF( LWR_CVS_HDR ) CALL WR_CVSHDR( IOUT )\n\n\n 100 CONTINUE\n\n READ( IIN, 92000, END = 1000 ) LINEIN\n\n IF( LINEIN( 1 : 1 ) .NE. 'R' ) THEN\n\n WRITE( IOUT, 92000 ) LINEIN( 1 : LEN_TRIM( LINEIN ) )\n\n ELSE\n\n IF( LINEIN( 2 : 2 ) .EQ. '1' .AND. .NOT. LOUT1 ) THEN\n\n WRITE( IOUT, 93000 ) GC_TAG( 1 : LEN_TRIM( GC_TAG ) )\n\n LOUT1 = .TRUE. \n\n ELSEIF( LINEIN( 2 : 2 ) .EQ. '2' .AND. .NOT. LOUT2 ) THEN\n\n WRITE( IOUT, 93020 ) CR_DATE( 1 : LEN_TRIM( CR_DATE ) )\n\n LOUT2 = .TRUE. \n \n ELSEIF( LINEIN( 2 : 2 ) .EQ. '3' .AND. .NOT. LOUT3 ) THEN\n\n MNAME = GC_TAG\n EPOS = LEN_TRIM( MNAME )\n MOUT = ' '\n MOUT( 1 : EPOS ) = MNAME( 1 : LEN_TRIM( MNAME ) )\n WRITE( IOUT, 93040 ) MOUT\n\n\n MNAME = GC_TAG( 1 : LEN_TRIM( GC_TAG ) ) // '_' //\n & AE_TAG( 1 : LEN_TRIM( AE_TAG ) )\n EPOS = LEN_TRIM( MNAME )\n MOUT = ' '\n MOUT( 1 : EPOS ) = MNAME( 1 : LEN_TRIM( MNAME ) )\n WRITE( IOUT, 93060 ) MOUT\n\n\n MNAME = GC_TAG( 1 : LEN_TRIM( GC_TAG ) ) // '_' //\n & AQ_TAG( 1 : LEN_TRIM( AQ_TAG ) )\n EPOS = LEN_TRIM( MNAME )\n MOUT = ' '\n MOUT( 1 : EPOS ) = MNAME( 1 : LEN_TRIM( MNAME ) )\n WRITE( IOUT, 93060 ) MOUT\n\n MNAME = GC_TAG( 1 : LEN_TRIM( GC_TAG ) ) // '_' //\n & AE_TAG( 1 : LEN_TRIM( AE_TAG ) ) // '_' //\n & AQ_TAG( 1 : LEN_TRIM( AQ_TAG ) )\n EPOS = LEN_TRIM( MNAME )\n MOUT = ' '\n MOUT( 1 : EPOS ) = MNAME( 1 : LEN_TRIM( MNAME ) )\n WRITE( IOUT, 93080 ) MOUT\n\n LOUT3 = .TRUE.\n\n ELSEIF( LINEIN( 2 : 2 ) .EQ. '4' .AND. .NOT. LOUT4 ) THEN\n\n WRITE( IOUT, 93100 ) GC_TAG( 1 : LEN_TRIM( GC_TAG ) )\n\n LOUT4 = .TRUE.\n\n ENDIF\n\n ENDIF\n\n GO TO 100\n\n 1000 CONTINUE\n\n CLOSE( IIN )\n\n CLOSE( IOUT )\n\n RETURN \n\n 9000 MSG = 'ERROR: Could not open ' // FNAME( 1 : LEN_TRIM( FNAME ) )\n\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT2 )\n \n92000 FORMAT( A )\n\n93000 FORMAT( 'C PRECONDITIONS: For the ', A, ' family of mechanisms' )\n93020 FORMAT( 'C REVISION HISTORY: Created by EBI solver program, ', A )\n93040 FORMAT( 9X, 'IF( MECHNAME .NE. ''' , A, ''' .AND.' ) \n93060 FORMAT( 5X, '& MECHNAME .NE. ''', A, ''' .AND.' ) \n93080 FORMAT( 5X, '& MECHNAME .NE. ''', A, ''' ) THEN') \n93100 FORMAT( 5X, '& // '' the ', A, ' chemical mechanisms''' )\n\n END\n" }, { "path": "UTIL/create_ebi/src/wr_gp1.F", "content": " SUBROUTINE WR_GP1\n\nC**********************************************************************\nC\nC FUNCTION: Create source code for the hrgp1 subroutine in EBI\nC\nC PRECONDITIONS: None\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by Jerry Gipson, February, 2004\nC\nC**********************************************************************\n USE ENV_VARS\n USE GLOBAL_DATA\n !!USE M3UTILIO ! IOAPI parameters and declarations\n USE RXNS_DATA ! mechanism data and specifications\n\n\n IMPLICIT NONE\n\nC..INCLUDES: \n\n \n \nC..ARGUMENTS: None\n\nC..PARAMETERS:\n INTEGER, PARAMETER :: GRPNO = 1\n\nC..EXTERNAL FUNCTIONS:\n INTEGER JUNIT ! gets unit no.\n INTEGER INDEX1 ! find position of string in list\n\nC..SAVED LOCAL VARIABLES: None\n \nC..SCRATCH LOCAL VARIABLES:\n CHARACTER( 16 ) :: PNAME = 'WR_GP1' ! Program name\n CHARACTER( 256 ) :: MSG ! Message text\n CHARACTER( 100 ) :: LINEIN ! Input line\n CHARACTER( CL ) :: SPOUT ! Ouput species\n CHARACTER( 16 ) :: SPEC \n CHARACTER( 256 ) :: FNAME ! Name of file to open\n CHARACTER( 72 ) :: CLINE ! Line of c's\n CHARACTER( 256 ) :: LINOUT\n CHARACTER( 150 ) :: RXOUT\n CHARACTER( 100 ) :: BLANK_LINE\n CHARACTER*( 5 ) :: RNUM ! Reaction number\n CHARACTER*( 9 ) :: COUT ! Output coefficient\n CHARACTER*( 1 ) :: SGN ! Coefficient sign\n \n\n INTEGER :: E1, E2 ! end pos of string\n INTEGER :: IND ! array index\n INTEGER :: IIN ! Unit no. of input file\n INTEGER :: IOUT ! Unit no. of output file\n INTEGER :: N, S, P, R ! Loop indices\n INTEGER :: NR ! No. of reactants\n INTEGER :: NPOS ! Reaction index\n INTEGER :: RPOS1 ! Species to occupy reactant pos 1 in rxn line\n INTEGER :: RPOS2 ! Species to occupy reactant pos 2 in rxn line\n INTEGER :: PPOS1 ! Species to occupy product pos 1 in rxn line\n INTEGER :: PPOS2 ! Species to occupy product pos 2 in rxn line\n\n INTEGER :: J1, J2, K1_3 ! Rxn nos for NO2+hv, O3P+NO, & NO+O3\n INTEGER :: KO3_O1D ! Rxn number for O3+hv=O1D\n INTEGER :: KNO2_NO2EX ! Rxn number for NO2+hv=NO2EX\n\n LOGICAL :: LPHOT ! Photolysis rxn flag\n LOGICAL :: LFIRST ! First pass flag\n LOGICAL :: LRXN1 ! First rxn flag\n LOGICAL :: LNO2EX_DONE ! Flag to indicate NO2EX done\n LOGICAL :: LERROR ! Error flag\n \n REAL( 8 ) :: COEFF ! Prod/loss coefficient\n REAL( 8 ) :: RNO ! Sum of NO reactant coefficients\n REAL( 8 ) :: RNO2 ! Sum of NO2 reactant coefficients\n REAL( 8 ) :: PNO ! Sum of NO product coefficients\n REAL( 8 ) :: PNO2 ! Sum of NO2 product coefficients\n\n REAL( 8 ) :: RO3 ! Sum of O3 reactant coefficients\n REAL( 8 ) :: PO3 ! Sum of O3 product coefficients\n\n REAL( 8 ) :: RO3P ! Sum of O3P reactant coefficients\n REAL( 8 ) :: PO3P ! Sum of O3P product coefficients\n\n REAL( 8 ) :: RO1D ! Sum of O1D reactant coefficients\n REAL( 8 ) :: PO1D ! Sum of O1D product coefficients\n\n \n\nC**********************************************************************\n LERROR = .FALSE.\n \n DO N = 1, 72\n CLINE( N : N ) = 'c'\n END DO\n\n DO N = 1, 100\n BLANK_LINE( N : N ) = ' '\n END DO\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Open ouput file and code template \nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n E1 = LEN_TRIM( OUTPATH )\n\n FNAME = OUTPATH( 1 : E1 ) // '/hrg1.F' \n\n IOUT = JUNIT()\n\n OPEN( UNIT = IOUT, FILE = FNAME, ERR = 9000 )\n\n\n IIN = JUNIT()\n\n E1 = LEN_TRIM( TMPLPATH )\n\n FNAME = TMPLPATH( 1 : E1 ) // '/hrg1.F' \n\n OPEN( UNIT = IIN, FILE = FNAME, ERR = 9000 )\n\n\n IF( LWR_COPY ) CALL WR_COPYRT( IOUT )\n\n IF( LWR_CVS_HDR ) CALL WR_CVSHDR( IOUT )\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Read, modify, and write 1st section of code from template\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n 100 CONTINUE\n\n READ( IIN, 92000, END = 1000 ) LINEIN\n\n IF( LINEIN( 1 : 2 ) .EQ. 'R1' ) THEN\n\n WRITE( IOUT, 93000 ) TRIM( MECHNAME )\n\n GO TO 100\n\n ELSEIF( LINEIN( 1 : 2 ) .EQ. 'R2' ) THEN\n\n WRITE( IOUT, 93020 ) CR_DATE( 1 : LEN_TRIM( CR_DATE ) )\n\n GO TO 100\n \n ELSEIF( LINEIN( 1 : 2 ) .EQ. 'RE' ) THEN\n\n IF( LNO2EX_CYCLE ) WRITE( IOUT, 92000 ) LINEIN( 3 : LEN_TRIM( LINEIN ) )\n\n GO TO 100 \n\n ELSEIF( LINEIN( 1 : 2 ) .EQ. 'S1' ) THEN\n\n GO TO 1000\n\n ELSE\n\n WRITE( IOUT, 92000 ) LINEIN( 1 : LEN_TRIM( LINEIN ) )\n\n GO TO 100\n\n END IF\n\n 1000 CONTINUE\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Do O1D section\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n WRITE( IOUT, 92020 )\n WRITE( IOUT, 92000 ) CLINE\n WRITE( IOUT, 93100 )\n WRITE( IOUT, 92000 ) CLINE\n\nc..get all reactions in which O1D is reacting\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n\n IF ( IRR( N, 1 ) .NE. O1D ) CYCLE ! Skip Rxns w/ Lo1d=0\n\n COEFF = 1.0D0\n\n NPOS = 20\n RPOS1 = O1D\n RPOS2 = 0\n PPOS1 = 0\n PPOS2 = 0\n CALL BLD_OUTLINE( 'LFREQ', 'O1D_S', 'O1D', O1D, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n END DO\n\n WRITE( IOUT, 92000 )\n\nc..get reaction(s) producing O3P from O1D\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n\n IF ( IRR( N, 1 ) .NE. O1D .OR. IRR( N, 4 ) .NE. O3P ) CYCLE \n\n COEFF = SC( N, 1 )\n\n NPOS = 20\n RPOS1 = O1D\n RPOS2 = 0\n PPOS1 = OH\n PPOS2 = 0\n CALL BLD_OUTLINE( 'LFREQ', 'O3P_S', 'O1D', O1D, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n END DO\n\nc..write the the final line \n WRITE( IOUT, 92000 )\n LINOUT = ' O3P_S = O3P_S / O1D_S'\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Do NO2EX section if included in Group 1\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF( LNO2EX_CYCLE ) THEN\n \n WRITE( IOUT, 92020 )\n WRITE( IOUT, 92000 ) CLINE\n WRITE( IOUT, 93200 )\n WRITE( IOUT, 92000 ) CLINE\n\nc..get all reactions in which NO2EX is reacting\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n\n IF ( IRR( N, 1 ) .NE. NO2EX ) CYCLE ! Skip Rxns w/ Lno2ex=0\n\n COEFF = 1.0D0\n\n NPOS = 20\n RPOS1 = NO2EX\n RPOS2 = 0\n PPOS1 = 0\n PPOS2 = 0\n CALL BLD_OUTLINE( 'LFREQ', 'EXN_S', 'NO2EX', NO2EX, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n END DO \n\n WRITE( IOUT, 92000 )\n\nc..get reaction(s) producing NO2 from NO2EX\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n\n IF ( IRR( N, 1 ) .NE. NO2EX .OR. IRR( N, 4 ) .NE. NO2 ) CYCLE \n\n COEFF = SC( N, 1 )\n\n NPOS = 20\n RPOS1 = NO2EX\n RPOS2 = 0\n PPOS1 = NO2\n PPOS2 = 0\n CALL BLD_OUTLINE( 'LFREQ', 'NO2_S', 'NO2EX', NO2EX, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n END DO\n\nc..write the the final line \n WRITE( IOUT, 92000 )\n LINOUT = ' NO2_S = NO2_S / EXN_S'\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n END IF ! LNO2EX_CYCLE = .TRUE.\n\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc R1_2 computation ( Production of NO from reactions of NO2 )\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC R1_2 includes the following NO loss/NO2 production terms: \nc a) those in which NO is produced from NO2 (include only\nc equivalent amounts of loss and production) \nc\nc Hence,\nc\nc {aNO +} bNO2 {+ X} = cNO + dNO2\nc if c le a ==> Pno = 0, so R1_2 coeff = 0\nc if c gt a ==> Pno > 0 \nc if b le d ==> Lno2 = 0, so R1_2 coeff = 0\nc if b gt d ==> Lno2 > 0, so\nc if b-d > c-a ==> Lno2 > Pno, so R1_2 coeff = c-a\nc if b-d = c-a ==> Lno2 = Pno, so R1_2 coeff = c-a\nc if b-d < c-a ==> Lno2 < Pno, so R1_2 coeff = b-d\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc..Write the section header\n WRITE( IOUT, 92020 )\n WRITE( IOUT, 92000 ) CLINE\n WRITE( IOUT, 94000 )\n WRITE( IOUT, 92000 ) CLINE\n\n\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n\nc..find the rxns to include and set the coefficient\n COEFF = 0.0D0\n CALL SUM_COEFF( RNO, 'R', NO, N )\n CALL SUM_COEFF( RNO2, 'R', NO2, N )\n CALL SUM_COEFF( PNO, 'P', NO, N )\n CALL SUM_COEFF( PNO2, 'P', NO2, N )\n\n IF( PNO .LE. RNO ) CYCLE ! Skip rxn if Pno=0 \n\n IF( RNO2 .LE. PNO2 ) CYCLE ! Skip rxn if Lno2=0\n\n IF( RNO2 - PNO2 .GE. PNO - RNO ) THEN \n COEFF = PNO - RNO ! for Lno2 >= Pno\n ELSE\n COEFF = RNO2 - PNO2 ! for Lno2 < Pno\n END IF\n\n IF( COEFF .EQ. 0.0D0 ) CYCLE\n\nc..call routine to create output line & write it\n NPOS = 20\n RPOS1 = NO2\n RPOS2 = 0\n PPOS1 = NO\n PPOS2 = NO2\n CALL BLD_OUTLINE( 'LFREQ', 'R1_2', 'NO2', NO2, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n END DO \n\n WRITE( IOUT, '( A )' ) ' R1_2 = R1_2 * DTC'\n\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc P1 computation ( Production of NO )\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC P1 includes NO production terms from the following reactions: \nc a) those in which NO is produced & NO2 is NOT a reactant\nc b) those in which NO is produced and NO2 is consumed and the \nc NO production rate exceeds the NO2 loss rate (excess amount only)\nc\nc Hence,\nc\nc {aNO +} bNO2 {+ X} = cNO + dNO2\nc if c le a ==> Pno=o, so P1 coeff = 0 \nc if c gt a ==> Pno > 0, so\nc if b le d ==> Lno2 = 0, so P1 coeff = c-a\nc if b gt d ==> Lno2 > 0, so\nc if b-d > c-a ==> Lno2 > Pno, so P1 coeff = 0\nc if b-d = c-a ==> Lno2 = Pno, so P1 coeff = 0\nc if b-d < c-a ==> Lno2 < Pno, so P1 coeff = (c-a) - (b-d)\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n WRITE( IOUT, 92020 )\n LRXN1 = .TRUE.\n \n DO N = 1, NRXNS\n\nc..Determine the reaction to include & get the coefficient for the prod term\n COEFF = 0.0D0\n CALL SUM_COEFF( RNO, 'R', NO, N )\n CALL SUM_COEFF( RNO2, 'R', NO2, N )\n CALL SUM_COEFF( PNO, 'P', NO, N )\n CALL SUM_COEFF( PNO2, 'P', NO2, N )\n\n IF( PNO .LE. RNO ) CYCLE ! Skip rxns w/ Pno=0\n\n IF( RNO2 .LE. PNO2 ) THEN \n COEFF = PNO - RNO ! Rxns w/ Lno2=0\n ELSEIF( RNO2 - PNO2 .LT. PNO - RNO ) THEN\n COEFF = ( PNO - RNO ) - ( RNO2 - PNO2 ) ! Rxns w/ Lno2 < Pno\n END IF\n\n IF( COEFF .EQ. 0.0D0 ) CYCLE \n\n \n\nc..call routine to create output line & write it\n NPOS = 25\n RPOS1 = NO2\n RPOS2 = 0\n PPOS1 = NO\n PPOS2 = NO2\n CALL BLD_OUTLINE( 'RXRAT', 'P1', ' ', 0, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n END DO\n\n SPOUT = ADJUSTL( SPECIES( NO ) )\n E1 = LEN_TRIM( SPOUT )\n WRITE( IOUT, '( 3A )' ) ' P1 = YC0( ', SPOUT( 1 : E1 ),\n & ' ) + P1 * DTC'\n\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc L1 computation ( Loss of NO )\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC L1 includes the following net NO loss terms:\nc a) loss from reactions in which NO2 is not produced\nc b) in reactions in which NO2 is produced, the amount of NO lost\nc in excess of the amount of NO2 formed\nc\nc Hence,\nc\nc aNO {+ bNO2} {+ X} = cNO + dNO2\nc if a le c ==> Lno = 0, so L1 coeff =0\nc if a gt c ==> Lno > 0, so\nc if d le b ==> Pno2 = 0 so L1 coeff = (a-c)\nc if d gt b ==> Pno2 > 0, so \nc if a-c le d-b ==> Lno < Pno2, so L1 coeff = 0\nc if a-c gt d-b ==> Lno > Pno2, so L1 coeff = (a-c)-(d-b)\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n WRITE( IOUT, 92020 )\n LRXN1 = .TRUE.\n DO N = 1, NRXNS \n\nc..Determine the rxn to include & get the coefficient for the loss term\n COEFF = 0.0D0\n CALL SUM_COEFF( RNO, 'R', NO, N )\n CALL SUM_COEFF( RNO2, 'R', NO2, N )\n CALL SUM_COEFF( PNO2, 'P', NO2, N )\n CALL SUM_COEFF( PNO, 'P', NO, N )\n\n IF( RNO .LE. PNO ) CYCLE ! Skip rxns w/ Lno=0\n\n IF( PNO2 .LE. RNO2 ) COEFF = RNO - PNO ! Rxns w/ Lno>0 & Pno2=0\n\n IF( PNO2 .GT. RNO2 .AND. \n & RNO - PNO .GT. PNO2 - RNO2 ) \n & COEFF = RNO - PNO - ( PNO2 - RNO2 ) ! Rxns w/ Lno>0 & Lno>Pno2\n \n IF( COEFF .EQ. 0.0D0 ) CYCLE\n\nc..call routine to create output line & write it\n NPOS = 20\n RPOS1 = NO\n RPOS2 = 0\n PPOS1 = NO\n PPOS2 = NO2\n CALL BLD_OUTLINE( 'LFREQ', 'L1', 'NO', NO, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n END DO\n \n LINOUT = ' L1 = 1.0D0 + L1 * DTC'\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc R2_1 computation ( Production of NO2 from reactions of NO )\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC R2_1 includes NO2 production from the following reeactions: \nc a) those in which NO2 is produced from NO (include only\nc equivalent amounts of loss and production) \nc b) EXCEPTION: do not include NO+O3=NO2 \nc\nc Hence,\nc\nc aNO {bNO2} {+ X} = cNO + dNO2\nc if d le b ==> Pno2 = 0, so R2_1 coeff = 0\nc if d gt b ==> Pno2 > 0 \nc if a le c ==> Lno = 0, so R2_1 coeff = 0\nc if c gt a ==> Lno > 0, so\nc if d-b > a-c ==> Pno2 > Lno, so R2_1 coeff = a-c\nc if d-b = a-c ==> Pno2 = Lno, so R2_1 coeff = a-c\nc if d-b < a-c ==> Pno2 < Lno, so R2_1 coeff = d-b\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc..Write the section header\n WRITE( IOUT, 92020 )\n WRITE( IOUT, 92000 ) CLINE\n WRITE( IOUT, 94020 )\n WRITE( IOUT, 92000 ) CLINE\n\n LRXN1 = .TRUE.\n DO N = 1, NRXNS \n\nc..Determine the rxn to include & get the coefficient for the loss term\n COEFF = 0.0D0\n CALL SUM_COEFF( RNO, 'R', NO, N )\n CALL SUM_COEFF( RNO2, 'R', NO2, N )\n CALL SUM_COEFF( PNO, 'P', NO, N )\n CALL SUM_COEFF( PNO2, 'P', NO2, N )\n\n IF( PNO2 .LE. RNO2 ) CYCLE ! Skip rxns with Pno2=0\n\nc..do not include NO+O3=NO2 reaction\n IF( ( IRR( N, 1 ) .EQ. NO .AND. IRR( N, 2 ) .EQ. O3 ) .OR.\n & ( IRR( N, 1 ) .EQ. O3 .AND. IRR( N, 2 ) .EQ. NO ) .AND.\n & IRR( N, 4 ) .EQ. NO2 ) CYCLE\n\n IF( RNO .LE. PNO ) CYCLE ! Skip rxns with Lno=0\n \n IF( PNO2 - RNO2 .GE. RNO - PNO ) THEN\n COEFF = RNO - PNO ! for Pno2>=Lno\n ELSE\n COEFF = PNO2 - RNO2 ! for Pno2 Pno2=o, so P2 coeff = 0 \nc if d gt b ==> Pno2 > 0, so\nc if a le c ==> Lno = 0, so P2 coeff = d-b\nc if a gt c ==> Lno > 0, so\nc if d-b > a-c ==> Pno2 > Lno, so P2 coeff = (d-b)-(a-c)\nc if d-b = a-c ==> Pno2 = Lno, so P2 coeff = 0\nc if d-b < a-c ==> Pno2 < Lno, so P2 coeff = 0\nc\nc Added special treatment of NO2EX to group 1 - \nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n WRITE( IOUT, 92020 )\n LRXN1 = .TRUE.\n LNO2EX_DONE = .FALSE.\n\n DO N = 1, NRXNS\n\nc..Determine the reaction to include & get the coefficient for the prod term\n COEFF = 0.0D0\n CALL SUM_COEFF( RNO, 'R', NO, N )\n CALL SUM_COEFF( RNO2, 'R', NO2, N )\n CALL SUM_COEFF( PNO, 'P', NO, N )\n CALL SUM_COEFF( PNO2, 'P', NO2, N )\n\nc ! do not include NO+O3=NO2 reaction\nc IF( ( IRR( N, 1 ) .EQ. NO .AND. IRR( N, 2 ) .EQ. O3 ) .OR.\nc & ( IRR( N, 2 ) .EQ. NO .AND. IRR( N, 1 ) .EQ. O3 ) ) CYCLE\n\n IF( PNO2 .LE. RNO2 ) CYCLE ! Skip rxns with Pno2=0\n\n IF( RNO .LE. PNO ) ! Rxns w/ Pno2>0 & Lno=0\n & COEFF = PNO2 - RNO2 \n\n IF( RNO - PNO .GT. 0.0D0 .AND. ! Rxns w/ Pno2>0 & Lno>0 &\n & PNO2 - RNO2 .GT. RNO - PNO ) ! Pno2>Lno \n & COEFF = ( PNO2 - RNO2 ) - ( RNO - PNO ) \n\n IF( COEFF .EQ. 0.0D0 ) CYCLE \n\n\nc..only include 1 NO2EX-NO2 reaction ( multiple reactions accounted for in coeffs) \n IF( LNO2EX_CYCLE .AND. LNO2EX_DONE .AND. \n & IRR( N, 1 ) .EQ. NO2EX .AND. IRR( N, 4 ) .EQ. NO2 ) CYCLE \n \n\nc..call routine to create output line & write it\n NPOS = 25\n RPOS1 = NO\n RPOS2 = NO2\n PPOS1 = NO2\n PPOS2 = NO\n CALL BLD_OUTLINE( 'RXRAT', 'P2', ' ', 0, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n IF( LNO2EX_CYCLE .AND. \n & IRR( N, 1 ) .EQ. NO2EX .AND. IRR( N, 4 ) .EQ. NO2 ) \n & LNO2EX_DONE = .TRUE. \n\n END DO\n\n SPOUT = ADJUSTL( SPECIES( NO2 ) )\n E1 = LEN_TRIM( SPOUT )\n WRITE( IOUT, '( 3A )' ) ' P2 = YC0( ', SPOUT( 1 : E1 ),\n & ' ) + P2 * DTC'\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc L2 computation ( Loss of NO2 )\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC L2 includes the following NO2 loss terms:\nc a) for reactions in which NO is not produced, the amount of NO2 lost\nc b) for reactions in which NO2 is lost and NO is produced,\nc the amount of NO2 lost in excess of the amount of NO produced\nc\nc Hence,\nc\nc {aNO +} bNO2 {+ X} = cNO + dNO2\nc if b le d ==> Lno2 = 0, so L2 coeff =0\nc if b gt d ==> Lno2 > 0, so\nc if c le a ==> Pno = 0 so L2 coeff = (a-c)\nc if c gt a ==> Pno > 0, so \nc if b-d le c-a ==> Lno2 < Pno, so L2 coeff = 0\nc if b-d gt c-a ==> Lno2 > Pno, so L2 coeff = (b-d)-(c-a)\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n WRITE( IOUT, 92020 )\n LRXN1 = .TRUE.\n DO N = 1, NRXNS \n\nc..Determine the rxn to include & get the coefficient for the loss term\n COEFF = 0.0D0\n CALL SUM_COEFF( RNO, 'R', NO, N )\n CALL SUM_COEFF( RNO2, 'R', NO2, N )\n CALL SUM_COEFF( PNO, 'P', NO, N )\n CALL SUM_COEFF( PNO2, 'P', NO2, N )\n IF( RNO2 .LE. PNO2 ) CYCLE ! Skip rxns w/ Lno2=0\n IF( RNO .GE. PNO ) COEFF = RNO2 - PNO2 ! Rxns w/ Lno2>0 & Pno=0 \n IF( RNO2 + PNO2 .LT. 0.0D0 )THEN ! Stop net stoichiometry\n WRITE( RNUM, '(I5)') N\n MSG = 'REACTION ' // RNUM // ': has net stoichiometry for NO2.'\n & // ' not permitted. '\n WRITE(LOGDEV,92000)TRIM( MSG )\n LERROR = .TRUE. \n END IF\n \n IF( RNO .LT. PNO .AND. ! Rxns w/ Lno2>0 & Pno>0\n & RNO2 - PNO2 .GT. PNO - RNO ) ! & Lno2>Pno\n & COEFF = (RNO2 -PNO2 ) - ( PNO - RNO ) \n \n IF( COEFF .EQ. 0.0D0 ) CYCLE\n\nc..call routine to create output line & write it\n NPOS = 20\n RPOS1 = NO2\n RPOS2 = NO\n PPOS1 = NO\n PPOS2 = NO2\n CALL BLD_OUTLINE( 'LFREQ', 'L2 ', 'NO2', NO2, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n END DO\n \n LINOUT = ' L2 = 1.0D0 + L2 * DTC'\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc P3 computation ( Production of O3 )\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc P3 includes O3 production terms from the following reactions: \nc a) those in which O3 is produced EXCEPT O3P=O3\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc..Write the section header\n WRITE( IOUT, 92020 )\n WRITE( IOUT, 92000 ) CLINE\n WRITE( IOUT, 94040 )\n WRITE( IOUT, 92000 ) CLINE\n\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n\nc..Determine the reaction to include & get the coefficient for the prod term\n COEFF = 0.0D0\n CALL SUM_COEFF( RO3, 'R', O3, N )\n CALL SUM_COEFF( PO3, 'P', O3, N )\n\n IF( RO3 .GE. PO3 ) CYCLE ! Skip rxns with Po3=0\n\n IF( IRR( N, 1 ) .EQ. O3P .AND. \n & IRR( N, 4 ) .EQ. O3 ) CYCLE ! Skip O3P=O3 rxn\n\n COEFF = PO3 \n\nc..call routine to create output line & write it\n NPOS = 25\n RPOS1 = 0\n RPOS2 = 0\n PPOS1 = O3\n PPOS2 = 0\n CALL BLD_OUTLINE( 'RXRAT', 'P3 ', ' ', 0, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n END DO\n\n\n SPOUT = ADJUSTL( SPECIES( O3 ) )\n E1 = LEN_TRIM( SPOUT )\n\n IF( LRXN1 ) THEN\n WRITE( IOUT, '( 3A )' ) ' P3 = YC0( ', SPOUT( 1 : E1 ),\n & ' ) ' \n ELSE\n WRITE( IOUT, '( 3A )' ) ' P3 = YC0( ', SPOUT( 1 : E1 ),\n & ' ) + P3 * DTC'\n END IF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc L3 computation ( Loss of O3 )\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc L3 includes O3 loss terms from the following reactions: \nc a) those in which O3 is lost EXCEPT NO+O3=NO2\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n WRITE( IOUT, 92020 )\n LRXN1 = .TRUE.\n DO N = 1, NRXNS \n\nc..Determine the rxn to include & get the coefficient for the loss term\n COEFF = 0.0D0\n CALL SUM_COEFF( RO3, 'R', O3, N )\n CALL SUM_COEFF( PO3, 'P', O3, N )\n\n IF( PO3 .GE. RO3 ) CYCLE ! Skip rxns w/ Lo3=0\n\n ! do not include NO+O3=NO2 reaction\n IF( ( IRR( N, 1 ) .EQ. NO .AND. IRR( N, 2 ) .EQ. O3 ) .OR.\n & ( IRR( N, 1 ) .EQ. O3 .AND. IRR( N, 2 ) .EQ. NO ) .AND.\n & IRR( N, 4 ) .EQ. NO2 ) CYCLE\n \n COEFF = RO3\n\nc..call routine to create output line & write it\n NPOS = 20\n RPOS1 = O3\n RPOS2 = 0\n PPOS1 = 0\n PPOS2 = 0\n CALL BLD_OUTLINE( 'LFREQ', 'L3 ', 'O3', O3, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n END DO\n \n LINOUT = ' L3 = 1.0D0 + L3 * DTC'\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc P12 computation ( Production of O3P )\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc P12 includes O3P production terms from the following reactions: \nc a) those in which O3P is produced EXCEPT NO2+hv=O3P\nc b) special conditions: eliminate O1D=O3P and change\nc O3=O1D to O3=O3P with stoichiometric coeff=O3P_S\nc ( done in BLD_OUTLINE)\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc..Write the section header\n WRITE( IOUT, 92020 )\n WRITE( IOUT, 92000 ) CLINE\n WRITE( IOUT, 94060 )\n WRITE( IOUT, 92000 ) CLINE\n\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n\n CALL SUM_COEFF( RO3P, 'R', O3P, N )\n CALL SUM_COEFF( PO3P, 'P', O3P, N )\n\n IF( RO3P .GT. 0 .AND. PO3P .EQ. RO3P ) THEN ! Skip rxns with Po3p=0\n CYCLE \n END IF\n\n\nc..Determine the reaction to include & get the coefficient for the prod term\n COEFF = 0.0D0\n CALL SUM_COEFF( PO3P, 'P', O3P, N )\n CALL SUM_COEFF( RO1D, 'R', O1D, N )\n CALL SUM_COEFF( PO1D, 'P', O1D, N )\n\n IF( PO3P .LE. 0.0D0 .AND. PO1D .LE. 0.0D0 ) CYCLE ! Skip rxns with Po3p=0\n ! & Po1d=0\n\n IF( IRR( N, 1 ) .EQ. O1D .AND.\n & IRR( N, 4 ) .EQ. O3P ) CYCLE ! Skip O1D=O3P \n\n\n ! Skip NO2+hv=O3P rxn\n IF( IRR( N, 1 ) .EQ. NO2 .AND. ( IRR( N, 4 ) .EQ. O3P .OR.\n & IRR( N, 5 ) .EQ. O3P ) ) CYCLE \n\n COEFF = PO3P \n\nc..call routine to create output line & write it\n NPOS = 25\n RPOS1 = 0\n RPOS2 = 0\n PPOS1 = O3P\n PPOS2 = 0\n\n CALL BLD_OUTLINE( 'RXRAT', 'P12 ', ' ', 0, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n END DO\n\n\n SPOUT = ADJUSTL( SPECIES( O3P ) )\n E1 = LEN_TRIM( SPOUT )\n\n WRITE( IOUT, '( 3A )' ) ' P12 = YC0( ', SPOUT( 1 : E1 ),\n & ' ) + P12 * DTC'\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc L12 computation ( Loss of O3P )\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc L12 includes O3P loss terms from the following reactions: \nc a) those in which O3P reacts \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc..Write the section header\n WRITE( IOUT, 92020 )\n\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n\nc..Determine the reaction to include & get the coefficient for the prod term\n COEFF = 0.0D0\n CALL SUM_COEFF( RO3P, 'R', O3P, N )\n CALL SUM_COEFF( PO3P, 'P', O3P, N )\n\n IF( PO3P .GE. RO3P ) CYCLE ! Skip rxns with Lo3p=0\n\n COEFF = RO3P - PO3P\n\nc..call routine to create output line & write it\n NPOS = 25\n RPOS1 = O3P\n RPOS2 = 0\n PPOS1 = O3P\n PPOS2 = 0\n\n CALL BLD_OUTLINE( 'LFREQ', 'L12 ', 'O3P', O3P, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n END DO\n\n WRITE( IOUT, '( 3A )' ) ' L12 = 1.0D0 + L12 * DTC'\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Continue reading template section\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n 200 CONTINUE\n\n READ( IIN, 92000, END = 300 ) LINEIN\n\n IF( LINEIN( 1 : 2 ) .EQ. 'S1' ) GO TO 300\n\n GO TO 200\n\n 300 CONTINUE\n\nc..Find rection numbers for NO2->NO+O3P, O3P->O3, & NO+O3->NO2\n DO N = 1, NRXNS\n\n IF( NREACT( N ) .EQ. 1 .AND. IRR( N, 1 ) .EQ. NO2 ) THEN\n IF( IRR( N, 4 ) .EQ. NO .AND. IRR( N, 5 ) .EQ. O3P .OR.\n & IRR( N, 4 ) .EQ. O3P .AND. IRR( N, 5 ) .EQ. NO ) \n & J1 = N\n END IF\n\n IF( IRR( N, 1 ) .EQ. O3P .AND. IRR( N, 4 ) .EQ. O3 )\n & J2 = N\n\n IF( ( IRR( N, 1 ) .EQ. NO .AND. IRR( N, 2 ) .EQ. O3 ) .OR.\n & ( IRR( N, 1 ) .EQ. O3 .AND. IRR( N, 2 ) .EQ. NO ) ) \n & K1_3 = N\n\n END DO\n\n LFIRST = .TRUE.\n\n 400 CONTINUE\n\n READ( IIN, 92000, END = 2000 ) LINEIN\n\n IF( LINEIN( 1 : 2 ) .EQ. 'R3' ) THEN\n\n IF( LFIRST ) WRITE( IOUT, 95000 ) J1, J2, K1_3\n LFIRST = .FALSE.\n GO TO 400\n\n ELSEIF( LINEIN( 1 : 2 ) .EQ. 'S2' ) THEN\n \n GO TO 2000\n\n ELSE\n\n WRITE( IOUT, 92000 ) LINEIN( 1 : LEN_TRIM( LINEIN ) )\n\n GO TO 400\n\n END IF\n \n2000 CONTINUE\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Finish solution section code\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\nc..Find O3->O1D Rxn no.\n\n DO N = 1, NRXNS\n IF( IRR( N, 1 ) .EQ. O3 .AND. IRR( N, 4 ) .EQ. O1D ) THEN\n KO3_O1D = N\n EXIT\n END IF\n END DO\n\nc..Find NO2->NO2EX Rxn no. if NO2EX included in group\n IF( LNO2EX_CYCLE ) THEN\n DO N = 1, NRXNS\n IF( IRR( N, 1 ) .EQ. NO2 .AND. IRR( N, 4 ) .EQ. NO2EX ) THEN\n KNO2_NO2EX = N\n EXIT\n END IF\n END DO\n END IF\n\n WRITE( IOUT, 96000 ) SPECIES( NO )( 1 : LEN_TRIM( SPECIES( NO ) ) )\n WRITE( IOUT, 96020 ) SPECIES( NO2 )( 1 : LEN_TRIM( SPECIES( NO2 ) ) )\n WRITE( IOUT, 96040 ) SPECIES( NO2 )( 1 : LEN_TRIM( SPECIES( NO2 ) ) )\n WRITE( IOUT, 96060 )\n WRITE( IOUT, 96080 ) SPECIES( O3 )( 1 : LEN_TRIM( SPECIES( O3 ) ) ),\n & SPECIES( NO )( 1 : LEN_TRIM( SPECIES( NO ) ) )\n WRITE( IOUT, 96100 ) SPECIES( O3P )( 1 : LEN_TRIM( SPECIES( O3P ) ) )\n\n WRITE( RNUM, '(I5)' ) KO3_O1D\n RNUM = ADJUSTL( RNUM )\n! WRITE( IOUT, 96120 ) SPECIES( O1D )( 1 : LEN_TRIM( SPECIES( O1D ) ) ),\n! & RNUM( 1 : LEN_TRIM( RNUM ) ),\n! & SPECIES( O3 )( 1 : LEN_TRIM( SPECIES( O3 ) ) )\n WRITE( IOUT, 96121 ) SPECIES( O1D )( 1 : LEN_TRIM( SPECIES( O1D ) ) ),\n & SPECIES( O1D )( 1 : LEN_TRIM( SPECIES( O1D ) ) ), \n & RNUM( 1 : LEN_TRIM( RNUM ) ),\n & SPECIES( O3 )( 1 : LEN_TRIM( SPECIES( O3 ) ) )\n\n IF( LNO2EX_CYCLE ) THEN\n WRITE( RNUM, '(I5)' ) KNO2_NO2EX \n RNUM = ADJUSTL( RNUM )\n WRITE( IOUT, 96130 ) SPECIES( NO2EX )( 1 : LEN_TRIM( SPECIES( NO2EX ) ) ),\n & RNUM( 1 : LEN_TRIM( RNUM ) ),\n & SPECIES( NO2 )( 1 : LEN_TRIM( SPECIES( NO2 ) ) )\n WRITE( IOUT, 96135 ) SPECIES( NO2EX )( 1 : LEN_TRIM( SPECIES( NO2EX ) ) ),\n & RNUM( 1 : LEN_TRIM( RNUM ) ),\n & SPECIES( NO2 )( 1 : LEN_TRIM( SPECIES( NO2 ) ) ),\n & SPECIES( NO2 )( 1 : LEN_TRIM( SPECIES( NO2 ) ) ),\n & SPECIES( NO2EX )( 1 : LEN_TRIM( SPECIES( NO2EX ) ) )\n END IF\n\n WRITE( IOUT, 96140 )\n\n CLOSE( IIN )\n\n CLOSE( IOUT )\n\n NOUTFLS = NOUTFLS + 1\n OUTFLNAM( NOUTFLS ) = 'hrg1.F'\n\n IF( LERROR )STOP\n \n RETURN \n\n 9000 MSG = 'ERROR: Could not open ' // FNAME( 1 : LEN_TRIM( FNAME ) )\n\n WRITE(LOGDEV,'(a)')TRIM( PNAME ) // ': ' // TRIM( MSG )\n STOP\n \n92000 FORMAT( A )\n92020 FORMAT( / )\n\n93000 FORMAT( 'C PRECONDITIONS: For the ', A, ' mechanism' )\n93020 FORMAT( 'C REVISION HISTORY: Created by EBI solver program, ', A )\n\n93100 FORMAT( 'c O1D Section' /\n & 'c 1) sum of the rate constants for all O1D loss reactions' /\n & 'c 2) get fractional yield of O3P from O1D loss' )\n\n93200 FORMAT( 'c NO2EX Section' /\n & 'c 1) sum of the rate constants for all NO2EX loss reactions' /\n & 'c 2) get fractional yield of NO2 from NO2EX loss' )\n\n94000 FORMAT(\n & 'c NO Section' /\n & 'c R1_2 = production of NO from NO2 ( rates of form k[NO2][x] )' /\n & 'c except NO2+NO3=NO+NO2 (it is treated as if it',\n & ' were NO3=NO )' /\n & 'c P1 = remaining NO production terms' /\n & 'c L1 = loss of NO (except rxns producing NO2 - they',\n & ' are in R2_1)' )\n\n94020 FORMAT(\n & 'c NO2 Section' /\n & 'c R2_1 = production of NO2 from NO ( rates of form k[NO][x] )'/\n & 'c a) NO+O3=NO2 not included'/\n & 'c b) NO+NO3=2NO2 ( 1/2 of NO2 formation rate included )' /\n & 'c c) NO3+NO2=NO+NO2 is not included for NO2' /\n & 'c P2 = remaining NO2 production terms ' /\n & 'c a) NO+O3=NO2 not included' /\n & 'c b) NO+NO3=2NO2 (1/2 of NO2 formation rate included )' /\n & 'c L2 = loss of NO2 (except rxns producing NO2 - they are in R1_2)' )\n\n94040 FORMAT( \n & 'c O3 Section' /\n & 'c P3 = production of O3 except O+O2=O3' /\n & 'c L3 = loss terms for O3 except NO+O3=NO2' )\n\n94060 FORMAT(\n & 'c O3P Section ' /\n & 'c P12 = production of O3P except NO2+hv=O3P (J1)' /\n & 'c L12 = loss terms' ) \n\n\n95000 FORMAT( \n &' RK1 = RKI( ', I3, ' ) * DTC ! J1 (NO2+hv=NO+O3P)' /\n &' RK2 = RKI( ', I3, ' ) * DTC ! J2 (O3P+O2=O3)' /\n &' RK3 = RKI( ', I3, ' ) * DTC ! k1_3 (NO+O3=NO2)' )\n\n96000 FORMAT( ' YCP( ', A, ' ) = MAX( 0.0D0, ( P1 + XX ) * L1_INV )' / )\n96020 FORMAT( ' YCP( ', A, ' ) = MAX( 0.0D0, ( P2 - XX ) * L2_INV )' / )\n96040 FORMAT( ' S1 = P12 + RK1 * YCP( ', A, ' )' / )\n96060 FORMAT( ' S2 = T4 * S1' / )\n96080 FORMAT( ' YCP( ', A, ' ) = ( P3 + S2 ) / ( L3 + RK3 * YCP( ',\n & A, ' ) )' / )\n96100 FORMAT( ' YCP( ', A, ' ) = S1 * L12_INV' / )\n96120 FORMAT( ' YCP( ', A, ' ) = RKI( ', A, ' ) * YCP( ', A, \n & ' ) / O1D_S' / )\n96121 FORMAT( ' YCP( ', A, ' ) = ( YC0( ', A,' ) + RKI( ', A, ' ) * YCP( ', A, ' ) * DTC ) ',\n & /' & / ( 1.0D0 + O1D_S * DTC )' / )\n96130 FORMAT( 'C Steady State Solution ' /\n & 'C YCP( ', A, ' ) = RKI( ', A, ' ) * YCP( ', A, \n & ' ) / EXN_S' / )\n\n96135 FORMAT( 'C Time Dependent Solution ' /\n & ' YCP( ', A, ' ) = RKI( ', A, ' )/EXN_S*(YCP( ', A,\n & ' ) - YC0( ', A, ' )*EXP( -EXN_S*DTC ) ) ' / \n & ' & + YC0( ', A, ' )*EXP( -EXN_S * DTC ) '\n & / ) \n\n96140 FORMAT( ' RETURN' // ' END' // )\n\n\n\n END\n\n\n" }, { "path": "UTIL/create_ebi/src/wr_gp2.F", "content": " SUBROUTINE WR_GP2\n\nC**********************************************************************\nC\nC FUNCTION: Create source code for the hrgp2 subroutine in EBI\nC\nC PRECONDITIONS: None\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by Jerry Gipson, February, 2004\nC\nC**********************************************************************\n USE ENV_VARS\n USE GLOBAL_DATA\n !!USE M3UTILIO ! IOAPI parameters and declarations\n USE RXNS_DATA\n\n IMPLICIT NONE\n\nC..INCLUDES: \n \nC..ARGUMENTS: None\n\nC..PARAMETERS:\n INTEGER, PARAMETER :: GRPNO = 2\n\nC..EXTERNAL FUNCTIONS:\n INTEGER JUNIT ! gets unit no.\n! INTEGER NAME_INDEX ! find position of string in list\n\nC..SAVED LOCAL VARIABLES: None\n \nC..SCRATCH LOCAL VARIABLES:\n CHARACTER( 16 ) :: PNAME = 'WR_GP2' ! Program name\n CHARACTER( 256 ) :: MSG ! Message text\n CHARACTER( 100 ) :: LINEIN ! Input line\n CHARACTER( CL ) :: SPOUT ! Ouput species\n CHARACTER( 16 ) :: SPEC \n CHARACTER( 256 ) :: FNAME ! Name of file to open\n CHARACTER( 72 ) :: CLINE ! Line of c's\n CHARACTER( 256 ) :: LINOUT\n CHARACTER( 150 ) :: RXOUT\n CHARACTER( 100 ) :: BLANK_LINE\n CHARACTER*( 5 ) :: RNUM ! Reaction number\n CHARACTER*( 6 ) :: COUT ! Output coefficient\n CHARACTER*( 1 ) :: SGN ! Coefficient sign\n \n\n INTEGER :: E1, E2 ! end pos of string\n INTEGER :: IND ! array index\n INTEGER :: IIN ! Unit no. of input file\n INTEGER :: IOUT ! Unit no. of output file\n INTEGER :: N, S, P, R ! Loop indices\n INTEGER :: NR ! No. of reactants\n INTEGER :: NPOS ! Reaction index\n INTEGER :: RPOS1 !\n INTEGER :: RPOS2 !\n INTEGER :: PPOS1 !\n INTEGER :: PPOS2 !\n\n\n\n LOGICAL :: LFIRST\n LOGICAL :: LRXN1\n\n\n REAL( 8 ) :: COEFF\n\n REAL( 8 ) :: ROH\n REAL( 8 ) :: RHO2\n REAL( 8 ) :: POH\n REAL( 8 ) :: PHO2\n\n REAL( 8 ) :: RHONO\n REAL( 8 ) :: PHONO\n REAL( 8 ) :: RHNO4\n REAL( 8 ) :: PHNO4\n\n \n\nC**********************************************************************\n\n DO N = 1, 72\n CLINE( N : N ) = 'c'\n END DO\n\n DO N = 1, 100\n BLANK_LINE( N : N ) = ' '\n END DO\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Open ouput file and code template \nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n E1 = LEN_TRIM( OUTPATH )\n\n FNAME = OUTPATH( 1 : E1 ) // '/hrg2.F' \n\n IOUT = JUNIT()\n\n OPEN( UNIT = IOUT, FILE = FNAME, ERR = 9000 )\n\n\n IIN = JUNIT()\n\n E1 = LEN_TRIM( TMPLPATH )\n\n FNAME = TMPLPATH( 1 : E1 ) // '/hrg2.F' \n\n OPEN( UNIT = IIN, FILE = FNAME, ERR = 9000 )\n\n\n IF( LWR_COPY ) CALL WR_COPYRT( IOUT )\n\n IF( LWR_CVS_HDR ) CALL WR_CVSHDR( IOUT )\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Read, modify, and write 1st section of code from template\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n 100 CONTINUE\n\n READ( IIN, 92000, END = 1000 ) LINEIN\n\n IF( LINEIN( 1 : 2 ) .EQ. 'R1' ) THEN\n\n WRITE( IOUT, 93000 ) TRIM( MECHNAME )\n\n GO TO 100\n\n ELSEIF( LINEIN( 1 : 2 ) .EQ. 'R2' ) THEN\n\n WRITE( IOUT, 93020 ) CR_DATE( 1 : LEN_TRIM( CR_DATE ) )\n\n GO TO 100\n \n ELSEIF( LINEIN( 1 : 2 ) .EQ. 'RE' ) THEN\n\n IF( LNO2EX_CYCLE ) WRITE( IOUT, 92000 ) LINEIN( 3 : LEN_TRIM( LINEIN ) )\n\n GO TO 100 \n\n ELSEIF( LINEIN( 1 : 2 ) .EQ. 'S1' ) THEN\n\n GO TO 1000\n\n ELSE\n\n WRITE( IOUT, 92000 ) LINEIN( 1 : LEN_TRIM( LINEIN ) )\n\n GO TO 100\n\n END IF\n\n 1000 CONTINUE\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Do O1D section\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n WRITE( IOUT, 92020 )\n WRITE( IOUT, 94000 )\n\n\nc..get all reactions in which O1D is reacting\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n\n RPOS1 = 0\n DO R = 1, NREACT( N )\n IF(IRR(N, R) .EQ. O1D)RPOS1 = O1D\n END DO\n IF ( RPOS1 .NE. O1D )THEN\n CYCLE ! Skip Rxns w/ Lo1d=0\n ELSE\n PRINT*,' Found O1D destruction in reaction #',N\n END IF\nC IF ( IRR( N, 1 ) .NE. O1D ) CYCLE ! Skip Rxns w/ Lo1d=0\n\n COEFF = 1.0D0\n\n NPOS = 20\n RPOS1 = O1D\n RPOS2 = 0\n PPOS1 = 0\n PPOS2 = 0\n CALL BLD_OUTLINE( 'LFREQ', 'O1D_S', 'O1D', O1D, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n END DO\n\n WRITE( IOUT, 92000 )\n\n\nc..get reaction(s) producing OH from O1D\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n\n RPOS1 = 0\n DO R = 1, NREACT( N )\n IF(IRR(N, R) .EQ. O1D)RPOS1 = O1D\n END DO\n\n PPOS1 = 0\n DO P = 1, NPRDCT( N )\nC PRINT*,'For reaction ',N,', ', P, OH\n IF(IRR(N, P+3) .EQ. OH)PPOS1 = OH\n END DO\n IF ( RPOS1 .NE. O1D .OR. PPOS1 .NE. OH )THEN\n CYCLE \n ELSE\n PRINT*,' Found OH production via O1D in reaction #',N\n END IF\n\nC IF ( IRR( N, 1 ) .NE. O1D .OR. IRR( N, 4 ) .NE. OH ) CYCLE \n\n COEFF = SC( N, 1 )\n\n NPOS = 20\n RPOS1 = O1D\n RPOS2 = 0\n PPOS1 = OH\n PPOS2 = 0\n CALL BLD_OUTLINE( 'LFREQ', 'OH_S', 'O1D', O1D, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n END DO\n\nc..write the the final line \n WRITE( IOUT, 92000 )\n LINOUT = ' OH_S = OH_S / O1D_S'\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n\n WRITE( IOUT, 92000 )\n\nc..get reaction(s) producing HO2 from O1D\n LRXN1 = .TRUE.\n LOOP_HO2: DO N = 1, NRXNS\n\n RPOS1 = 0\n DO R = 1, NREACT( N )\n IF(IRR(N, R) .EQ. O1D)RPOS1 = O1D\n END DO\n\n PPOS1 = 0\n DO P = 1, NPRDCT( N )\nC PRINT*,'For reaction ',N,', ', P, HO2\n IF(IRR(N, P+3) .EQ. HO2)PPOS1 = HO2\n END DO\n IF ( RPOS1 .NE. O1D .OR. PPOS1 .NE. HO2 )THEN\n CYCLE \n ELSE\n PRINT*,' Found HO2 production via O1D in reaction #',N\n END IF\n\n COEFF = SC( N, 1 )\n\n NPOS = 20\n RPOS1 = O1D\n RPOS2 = 0\n PPOS1 = HO2\n PPOS2 = 0\n CALL BLD_OUTLINE( 'LFREQ', 'HO2_S', 'O1D', O1D, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n END DO LOOP_HO2\n\nc..write the the final line \n E1 = SCAN( LINOUT, '(')\n IF( E1 .GE. 1)THEN\nC print*,e1,'xx', LINOUT( 1 : E1 )\n WRITE( IOUT, 92000 )\n LINOUT = ' HO2_S = HO2_S / O1D_S'\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n ELSE\n PRINT*,'No HO2 production via O1D found'\n END IF\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Do NO2EX_CYCLE section\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF( LNO2EX_CYCLE ) THEN\n\n WRITE( IOUT, 92000 )\n WRITE( IOUT, 94010 )\n\n\nc..get all reactions in which NO2EX is reacting\n LRXN1 = .TRUE.\n PRINT*,' NO2EX = ', NO2EX\n DO N = 1, NRXNS\n\n IF( IRR( N, 1 ) .NE. NO2EX ) CYCLE ! Skip Rxns w/ Lno2ex=0\n \n COEFF = 1.0D0\n\n NPOS = 20\n RPOS1 = NO2EX\n RPOS2 = 0\n PPOS1 = 0\n PPOS2 = 0\n CALL BLD_OUTLINE( 'LFREQ', 'EXN_S', 'NO2EX', NO2EX, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n END DO\n\n WRITE( IOUT, 92000 ) \n\n\nc..get reaction(s) producing OH+HONO from NO2EX\nc..assumes reaction of form NO2EX=OH+HONO\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n\n IF( IRR( N, 1 ) .NE. NO2EX ) CYCLE\n\n IF( ( IRR( N, 4 ) .NE. OH .OR. IRR( N, 5 ) .NE. HONO ) .AND.\n & ( IRR( N, 5 ) .NE. OH .OR. IRR( N, 4 ) .NE. HONO ) ) CYCLE\n\n\n COEFF = 1.0D0\n\n NPOS = 20\n RPOS1 = NO2EX\n RPOS2 = 0\n PPOS1 = OH\n PPOS2 = 0\n CALL BLD_OUTLINE( 'LFREQ', 'XOH_S', 'NO2EX', NO2EX, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n END DO\n\nc..write the the final line \n WRITE( IOUT, 92000 )\n LINOUT = ' XOH_S = XOH_S / EXN_S'\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n\n END IF ! LNO2EX_CYCLE\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc R4_5 computation ( Production of OH from reactions of HO2 )\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC R4_5 includes OH production from the following reactions: \nc a) those in which OH is produced form HO2 (include only\nc equivalent amounts of loss and production)\nc\nc Hence,\nc\nc {aOH +} bHO2 {+ X} = cOH + dHO2\nc if c le a ==> Poh = 0, so R4_5 coeff = 0\nc if c gt a ==> Poh > 0 \nc if b le d ==> Lho2 = 0, so R4_5 coeff = 0\nc if b gt d ==> Lho2 > 0, so\nc if b-d > c-a ==> Lho2 > Poh, so R4_5 coeff = c-a\nc if b-d = c-a ==> Lho2 = Poh, so R4_5 coeff = c-a\nc if b-d < c-a ==> Lho2 < Poh, so R4_5 coeff = b-d\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc..Write the section header\n WRITE( IOUT, 92000 )\n WRITE( IOUT, 94020 )\n\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n\nc..find the rxns to include and set the coefficient\n COEFF = 0.0D0\n CALL SUM_COEFF( ROH, 'R', OH, N )\n CALL SUM_COEFF( RHO2, 'R', HO2, N )\n CALL SUM_COEFF( POH, 'P', OH, N )\n CALL SUM_COEFF( PHO2, 'P', HO2, N )\n\n IF( POH .LE. ROH ) CYCLE ! Skip if Poh=0 \n\n IF( RHO2 .LE. PHO2 ) CYCLE ! Skip if Lho2=0\n\n IF( RHO2 - PHO2 .GE. POH - ROH ) THEN\n COEFF = POH - ROH ! for Lho2 >= Poh\n ELSE\n COEFF = RHO2 - PHO2 ! for Lho2 < Poh\n END IF\n\n IF( COEFF .EQ. 0.0D0 ) CYCLE\n\nc..call routine to create output line & write it\n NPOS = 20\n RPOS1 = HO2\n RPOS2 = OH\n PPOS1 = OH\n PPOS2 = HO2\n CALL BLD_OUTLINE( 'LFREQ', 'R4_5', 'HO2', HO2, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n END DO \n\n WRITE( IOUT, 92000 ) \n WRITE( IOUT, '( A )' ) ' R4_5 = R4_5 * DTC'\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc R4_19 computation ( Production of OH from reactions of HONO )\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC R4_19 includes OH production from the following reaction: \nc a) HONO=OH+NO\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n WRITE( IOUT, 92000 )\n WRITE( IOUT, 94040 )\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n\nc..Skip reactions other than HONO=OH+NO or HONO=NO+OH\n IF( IRR( N, 1 ) .NE. HONO ) CYCLE\n IF( ( IRR( N, 4 ) .NE. OH .OR. IRR( N, 5 ) .NE. NO ) .AND.\n & ( IRR( N, 5 ) .NE. OH .OR. IRR( N, 4 ) .NE. NO ) ) CYCLE\n\n COEFF = 1.0D0\n\nc..call routine to create output line & write it\n NPOS = 20\n RPOS1 = HONO\n RPOS2 = 0\n PPOS1 = OH\n PPOS2 = 0\n CALL BLD_OUTLINE( 'LFREQ', 'R4_19', 'HONO', HONO, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n END DO \n\n WRITE( IOUT, 92000 ) \n WRITE( IOUT, '( A )' ) ' R4_19 = R4_19 * DTC'\n\n\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc P4 computation ( Production of OH )\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC P4 includes OH production terms from the following reactions: \nc a) those in which OH is produced & HO2 & HONO are NOT reactants\nc b) those in which OH is produced and HO2 is consumed and the \nc OH production rate exceeds the HO2 loss rate (excess amount only)\nc\nc Hence,\nc\nc {aOH +} bHO2 {+ X} = cOH + dHO2\nc if c le a ==> Poh=o, so P1 coeff = 0 \nc if c gt a ==> Poh > 0, so\nc if b le d ==> Lho2 = 0, so P4 coeff = c-a\nc if b gt d ==> Lho2 > 0, so\nc if b-d > c-a ==> Lho2 > Poh, so P4 coeff = 0\nc if b-d = c-a ==> Lho2 = Poh, so P4 coeff = 0\nc if b-d < c-a ==> Lho2 < Poh, so P4 coeff = (c-a) - (b-d)\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n WRITE( IOUT, 92000 )\n WRITE( IOUT, 94060 )\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n\nc..Determine the reactions to include & get coefficients for the prod terms\n COEFF = 0.0D0\n CALL SUM_COEFF( ROH, 'R', OH, N )\n CALL SUM_COEFF( RHO2, 'R', HO2, N )\n CALL SUM_COEFF( POH, 'P', OH, N )\n CALL SUM_COEFF( PHO2, 'P', HO2, N )\n\n IF( POH .LE. ROH ) CYCLE ! Skip rxns with Poh=0\n\n IF( IRR( N, 1 ) .EQ. HONO .AND. ! Skip HONO=OH+NO rxn\n & POH .GT. 0.0D0 ) CYCLE \n\n IF( RHO2 .LE. PHO2 ) THEN ! Rxns with Lho2=0\n COEFF = POH - ROH \n ELSEIF( RHO2 - PHO2 .LT. POH - ROH ) THEN ! Rxns w/ Lho2 < Poh \n COEFF = ( POH - ROH ) - ( RHO2 - PHO2 )\n END IF \n\n\n IF( COEFF .EQ. 0.0D0 ) CYCLE \n\nc..call routine to create output line & write it\n NPOS = 30\n RPOS1 = HO2\n RPOS2 = OH\n PPOS1 = OH\n PPOS2 = HO2\n CALL BLD_OUTLINE( 'RXRAT', 'P4', ' ', 0, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n IF( E1 .LT. 2)CYCLE\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n END DO\n\n SPOUT = ADJUSTL( SPECIES( OH ) )\n E1 = LEN_TRIM( SPOUT )\n WRITE( IOUT, 92000 ) \n WRITE( IOUT, '( 3A )' ) ' P4 = YC0( ', SPOUT( 1 : E1 ),\n & ' ) + P4 * DTC'\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc R5_4 computation ( Production of HO2 from reactions of OH )\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC R5_4 includes OH production from the following reactions: \nc a) those in which HO2 is produced from OH (include only\nc equivalent amounts of loss and production) \nc\nc Hence,\nc\nc aOH {+ bHO2} {+ X} = cOH + dHO2\nc if d le b ==> Pho2 = 0, so R5_4 coeff = 0\nc if d gt b ==> Pho2 > 0 \nc if a le c ==> Loh = 0, so R5_4 coeff = 0\nc if c gt a ==> Loh > 0, so\nc if d-b > a-c ==> Pho2 > Loh, so R4_5 coeff = a-c\nc if d-b = a-c ==> Pho2 = Loh, so R4_5 coeff = a-c\nc if d-b < a-c ==> Pho2 < Loh, so R4_5 coeff = d-b\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc..Write the section header\n WRITE( IOUT, 92000 )\n WRITE( IOUT, 94080 )\n\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n\nc..find the rxns to include and set the coefficient\n COEFF = 0.0D0\n CALL SUM_COEFF( ROH, 'R', OH, N )\n CALL SUM_COEFF( RHO2, 'R', HO2, N )\n CALL SUM_COEFF( POH, 'P', OH, N )\n CALL SUM_COEFF( PHO2, 'P', HO2, N )\n\n IF( PHO2 .LE. RHO2 ) CYCLE ! Skip if Pho2=0 \n\n IF( ROH .LE. POH ) CYCLE ! Skip if Loh=0\n\n IF( PHO2 - RHO2 .GE. ROH - POH ) THEN\n COEFF = ROH - POH ! for Pho2 >= Loh\n ELSE\n COEFF = PHO2 - RHO2 ! for Pho2 < Loh\n END IF\n\n IF( COEFF .EQ. 0.0D0 ) CYCLE\n\nc..call routine to create output line & write it\n NPOS = 20\n RPOS1 = OH\n RPOS2 = HO2\n PPOS1 = HO2\n PPOS2 = OH\n CALL BLD_OUTLINE( 'LFREQ', 'R5_4', 'OH', OH, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n END DO \n\n WRITE( IOUT, 92000 ) \n WRITE( IOUT, '( A )' ) ' R5_4 = R5_4 * DTC'\n\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc R5_21 computation ( Production of HO2 from reactions of HNO4 )\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC R5_21 includes OH production from the following reaction: \nc a) those in which HO2 is produced form the raction of HNO4\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n WRITE( IOUT, 92000 )\n WRITE( IOUT, 94100 )\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n\nc..find the rxns to include and set the coefficient\n COEFF = 0.0D0\n CALL SUM_COEFF( RHNO4, 'R', HNO4, N )\n CALL SUM_COEFF( PHO2, 'P', HO2, N )\n\n IF( RHNO4 .LE. 0.0D0 .OR. PHO2 .LE. 0.0D0 ) CYCLE ! Skip if Pho2=0 or\n ! Lhno4=0\n COEFF = MIN( PHO2, RHNO4 )\n\nc..call routine to create output line & write it\n NPOS = 20\n RPOS1 = HNO4\n RPOS2 = 0\n PPOS1 = HO2\n PPOS2 = 0\n CALL BLD_OUTLINE( 'LFREQ', 'R5_21', 'HNO4', HNO4, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n END DO \n\n WRITE( IOUT, 92000 ) \n WRITE( IOUT, '( A )' ) ' R5_21 = R5_21 * DTC'\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc P5 computation ( Production of HO2 )\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC P5 includes OH production terms from the following reactions: \nc a) those in which HO2 is produced & OH & HNO4 are NOT reactants\nc b) those in which HO2 is produced and OH is consumed and the \nc HO2 production rate exceeds the OH loss rate (excess amount only)\nc c) those in which HO2 is produced and HNO4 is consumed and the \nc HO2 production rate exceeds the HNO4 loss rate (excess amount only)\nc\nc Hence,\nc\nc {aOH +} bHO2 {+ X} = cOH + dHO2\nc if d le b ==> Pho2=o, so P5 coeff = 0 \nc if d gt b ==> Pho2 > 0, so\nc if a le c ==> Loh = 0, so P5 coeff = d-b\nc if a gt c ==> Loh > 0, so\nc if d-b > a-c ==> Pho2 > Loh, so P5 coeff = (d-b)-(a-c)\nc if d-b = a-c ==> Pho2 = Loh, so P5 coeff = 0\nc if d-b < a-c ==> Pho2 < Loh, so P5 coeff = 0\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n WRITE( IOUT, 92000 )\n WRITE( IOUT, 94120 )\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n\nc..Determine the reactions to include & get coefficients for the prod terms\n COEFF = 0.0D0\n CALL SUM_COEFF( ROH, 'R', OH, N )\n CALL SUM_COEFF( RHO2, 'R', HO2, N )\n CALL SUM_COEFF( RHNO4, 'R', HNO4, N )\n CALL SUM_COEFF( POH, 'P', OH, N )\n CALL SUM_COEFF( PHO2, 'P', HO2, N )\n\n IF( PHO2 .LE. RHO2 ) CYCLE ! Skip rxns with Pho2=0\n\n IF( RHNO4 .GT. 0.0D0 ) THEN\n IF( RHO2 .GT. RHNO4 ) COEFF = RHO2 - RHNO4 ! Rxns w/ Ph02>Lhno4\n ELSE\n IF( ROH .LE. POH ) THEN ! Rxns w/ Ph02>0 & Loh=0\n COEFF = PHO2 - RHO2 \n ELSEIF( PHO2 - RHO2 .GT. ROH - POH ) THEN\n COEFF = ( PHO2 - RHO2 ) - ( ROH - POH ) !Rxns w/ Pho2>0 & Loh>0\n END IF ! and Pho2 > Loh\n END IF\n\n\n IF( COEFF .EQ. 0.0D0 ) CYCLE \n\nc..call routine to create output line & write it\n NPOS = 30\n RPOS1 = HO2\n RPOS2 = OH\n PPOS1 = HO2\n PPOS2 = OH\n CALL BLD_OUTLINE( 'RXRAT', 'P5', ' ', 0, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n IF( E1 .LT. 2)CYCLE\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n END DO\n\n SPOUT = ADJUSTL( SPECIES( HO2 ) )\n E1 = LEN_TRIM( SPOUT )\n WRITE( IOUT, 92000 ) \n WRITE( IOUT, '( 3A )' ) ' P5 = YC0( ', SPOUT( 1 : E1 ),\n & ' ) + P5 * DTC'\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc R19_4 computation ( Production of HONO from reactions of OH )\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC R19_4 includes HONO production from the following reaction: \nc a) OH+NO=HONO\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n WRITE( IOUT, 92000 )\n WRITE( IOUT, 94140 )\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n\nc..Find OH+NO=HONO Rxn\n IF( ( IRR( N, 1 ) .EQ. OH .AND. IRR( N, 2 ) .EQ. NO .AND.\n & IRR( N, 4 ) .EQ. HONO ) .OR.\n & ( IRR( N, 1 ) .EQ. NO .AND. IRR( N, 2 ) .EQ. OH .AND.\n & IRR( N, 4 ) .EQ. HONO ) ) \n & WRITE( RNUM, '(I5)' ) N\n \n\n END DO \n\n SPOUT = ADJUSTL( SPECIES( NO ) )\n LINOUT = ' R19_4 = RKI( ' // RNUM // ' ) * YC( ' //\n & SPOUT // ' ) * DTC ! OH+NO=HONO'\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) \n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n \n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc P19 computation ( Production of HONO )\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC P19 includes HONO production terms from the following reactions: \nc a) all that produce HONO except OH+NO=HONO\nc NOTE: there may be non in some mechanisms\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n WRITE( IOUT, 92000 )\n WRITE( IOUT, 94160 )\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n\nc..Determine the reactions to include & get coefficients for the prod terms\n COEFF = 0.0D0\n CALL SUM_COEFF( RHONO, 'R', HONO, N )\n CALL SUM_COEFF( PHONO, 'P', HONO, N )\n\n IF( PHONO .LE. RHONO ) CYCLE ! Skip rxns with Phono=0\n\n! Skip OH+NO=HONO Rxn\n IF( IRR( N, 1 ) .EQ. OH .AND. IRR( N, 2 ) .EQ. NO .OR.\n & IRR( N, 1 ) .EQ. NO .AND. IRR( N, 2 ) .EQ. OH )\n & CYCLE \n\n COEFF = PHONO ! Rxns w/ Phono>0\n\n IF( COEFF .EQ. 0.0D0 ) CYCLE \n\nc..call routine to create output line & write it\n NPOS = 30\n RPOS1 = OH\n RPOS2 = NO\n PPOS1 = HONO\n PPOS2 = 0\n CALL BLD_OUTLINE( 'RXRAT', 'P19', ' ', 0, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n END DO\n\n IF( LRXN1 ) THEN\n SPOUT = ADJUSTL( SPECIES( HONO ) )\n E1 = LEN_TRIM( SPOUT )\n LINOUT = ' P19 = YC0( ' // SPOUT( 1 : E1 ) // ' )'\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n ELSE\n SPOUT = ADJUSTL( SPECIES( HONO ) )\n E1 = LEN_TRIM( SPOUT )\n WRITE( IOUT, 92000 ) \n WRITE( IOUT, '( 3A )' ) ' P19 = YC0( ', SPOUT( 1 : E1 ),\n & ' ) + P19 * DTC'\n END IF\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc R21_5 computation ( Production of HNO4 from reactions of HO2 )\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC R21_5 includes HONO production from the following reaction: \nc a) HO2+NO2=HNO4\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n E1 = LEN_TRIM( SPECIES( HNO4 ) )\n E2 = LEN_TRIM( SPECIES( HO2 ) )\n WRITE( IOUT, 92000 )\n WRITE( IOUT, 94180 ) SPECIES( HNO4 )( 1 : E1 ), SPECIES( HO2 )( 1 : E2 )\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n\nc..Find OH+NO=HONO Rxn\n IF( ( IRR( N, 1 ) .EQ. HO2 .AND. IRR( N, 2 ) .EQ. NO2 .AND.\n & IRR( N, 4 ) .EQ. HNO4 ) .OR.\n & ( IRR( N, 1 ) .EQ. NO2 .AND. IRR( N, 2 ) .EQ. HO2 .AND.\n & IRR( N, 4 ) .EQ. HNO4 ) ) \n & WRITE( RNUM, '(I5)' ) N\n \n\n END DO \n\n SPOUT = ADJUSTL( SPECIES( NO2 ) )\n LINOUT = ' R21_5 = RKI( ' // RNUM // ' ) * YCP( ' //\n & SPOUT // ' ) * DTC ! HO2+NO2=HNO4'\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) \n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc P21 computation ( Production of HNO4 )\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC P19 includes HONO production terms from the following reactions: \nc a) all that produce HNO4 except HO2+NO2=HNO4\nc NOTE: Usually none\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n E1 = LEN_TRIM( SPECIES( HNO4 ) )\n WRITE( IOUT, 92000 )\n WRITE( IOUT, 94200 ) SPECIES( HNO4 )( 1 : E1 )\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n\nc..Determine the reactions to include & get coefficients for the prod terms\n COEFF = 0.0D0\n CALL SUM_COEFF( RHNO4, 'R', HNO4, N )\n CALL SUM_COEFF( PHNO4, 'P', HNO4, N )\n\n IF( PHNO4 .LE. RHNO4 ) CYCLE ! Skip rxns with Phno4=0\n\n! Skip HO2+NO2=HNO4 Rxn\n IF( IRR( N, 1 ) .EQ. HO2 .AND. IRR( N, 2 ) .EQ. NO2 .OR.\n & IRR( N, 1 ) .EQ. NO2 .AND. IRR( N, 2 ) .EQ. HO2 )\n & CYCLE \n\n COEFF = PHNO4 ! Rxns w/ Phono>0\n\n IF( COEFF .EQ. 0.0D0 ) CYCLE \n\nc..call routine to create output line & write it\n NPOS = 30\n RPOS1 = OH\n RPOS2 = NO\n PPOS1 = HONO\n PPOS2 = 0\n CALL BLD_OUTLINE( 'RXRAT', 'P21', ' ', 0, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n END DO\n\n IF( LRXN1 ) THEN\n SPOUT = ADJUSTL( SPECIES( HNO4 ) )\n E1 = LEN_TRIM( SPOUT )\n LINOUT = ' P21 = YC0( ' // SPOUT( 1 : E1 ) // ' )' \n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n ELSE\n WRITE( IOUT, 92000 ) \n SPOUT = ADJUSTL( SPECIES( HNO4 ) )\n E1 = LEN_TRIM( SPOUT )\n WRITE( IOUT, '( 3A )' ) ' P21 = YC0( ', SPOUT( 1 : E1 ),\n & ' ) + P21 * DTC'\n END IF\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc L4 computation ( Loss of OH )\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC L4 includes the following OH loss terms:\nc a) loss from reactions in which HO2 or HONO is not produced\nc b) in reactions in which HO2 is produced, the amount of OH lost\nc in excess of the amount of HO2 formed\nc\nc Hence,\nc\nc aOH {+ bHO2} {+ X} = cOH + dHO2\nc if a le c ==> Loh = 0, so L4 coeff =0\nc if a gt c ==> Loh > 0, so\nc if d le b ==> Pho2 = 0 so L4 coeff = (a-c)\nc if d gt b ==> Pho2 > 0, so \nc if a-c le d-b ==> Loh < Pho2, so L4 coeff = 0\nc if a-c gt d-b ==> Loh > Pho2, so L4 coeff = (a-c)-(d-b)\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n E1 = LEN_TRIM( SPECIES( OH ) )\n WRITE( IOUT, 92000 )\n WRITE( IOUT, 94220 ) SPECIES( OH )( 1 : E1 )\n LRXN1 = .TRUE.\n DO N = 1, NRXNS \n\nc..Determine the rxn to include & get the coefficient for the loss term\n COEFF = 0.0D0\n CALL SUM_COEFF( ROH, 'R', OH, N )\n CALL SUM_COEFF( RHO2, 'R', HO2, N )\n CALL SUM_COEFF( POH, 'P', OH, N )\n CALL SUM_COEFF( PHO2, 'P', HO2, N )\n\n IF( ROH .LE. POH ) CYCLE ! Skip rxns w/ Loh=0\n\n IF( IRR( N, 4 ) .EQ. HONO .AND. ! Skip OH+NO=HONO rxn\n & ROH .GT. 0.0D0 ) CYCLE \n \n IF( PHO2 .LE. RHO2 ) COEFF = ROH - POH ! Rxns w/ Loh > 0 &\n ! Pho2 = 0\n IF( PHO2 .GT. RHO2 .AND.\n & ROH - POH .GT. PHO2 - RHO2 ) ! Rxns w/ Loh > 0 &\n & COEFF = ROH - POH - ( PHO2 - RHO2 ) ! Pho2 > 0\n\n IF( ABS( COEFF ) .LT. 1.0D-8 ) CYCLE\n\nc..call routine to create output line & write it\n NPOS = 20\n RPOS1 = OH\n RPOS2 = HO2\n PPOS1 = HO2\n PPOS2 = OH\n CALL BLD_OUTLINE( 'LFREQ', 'L4', 'OH', OH, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n END DO\n \n WRITE( IOUT, 92000 ) \n LINOUT = ' L4 = 1.0D0 + L4 * DTC + R5_4 + R19_4'\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc L5 computation ( Loss of HO2 )\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC L5 includes the following HO2 loss terms:\nc a) loss from reactions in which HO2 or HNO4 is not produced\nc EXCEPTION: HO2+HO2=H2O2\nc b) in reactions in which OH is produced, the amount of HO2 lost\nc in excess of the amount of OH formed\nc\nc Hence,\nc\nc aOH {+ bHO2} {+ X} = cOH + dHO2\nc if b le d ==> Lho2 = 0, so L5 coeff =0\nc if b gt d ==> Lho2 > 0, so\nc if c le a ==> Poh = 0 so L5 coeff = (a-c)\nc if c gt a ==> Poh > 0, so \nc if b-d le c-a ==> Lho2 < Poh, so L5 coeff = 0\nc if b-d gt c-a ==> Lho2 > Poh, so L5 coeff = (b-d)-(c-a)\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n SPOUT = SPECIES( HO2 )\n E1 = LEN_TRIM( SPOUT )\n WRITE( IOUT, 92000 )\n WRITE( IOUT, 94240 ) SPOUT( 1 : E1 ), SPOUT( 1 : E1 ), SPOUT( 1 : E1 )\n LRXN1 = .TRUE.\n DO N = 1, NRXNS \n\nc..Determine the rxn to include & get the coefficient for the loss term\n COEFF = 0.0D0\n CALL SUM_COEFF( ROH, 'R', OH, N )\n CALL SUM_COEFF( RHO2, 'R', HO2, N )\n CALL SUM_COEFF( POH, 'P', OH, N )\n CALL SUM_COEFF( PHO2, 'P', HO2, N )\n\n IF( RHO2 .LE. PHO2 ) CYCLE ! Skip rxns w/ Lho2=0\n\n IF( IRR( N, 4 ) .EQ. HNO4 .AND. ! Skip HO2+NO2=HNO4 rxn\n & RHO2 .GT. 0.0D0 ) CYCLE \n \n IF( RHO2 .GE. 2.0D0 ) CYCLE ! Skip HO2+HO2 rxns\n\n IF( POH .LE. ROH ) COEFF = RHO2 - PHO2 ! Rxns w/ Lho2 > 0 &\n ! Poh = 0\n IF( POH .GT. ROH .AND.\n & RHO2 - PHO2 .GT. POH - ROH ) ! Rxns w/ Loh > 0 &\n & COEFF = RHO2 - PHO2 - ( POH - ROH ) ! Pho2 > 0 & Lho2>Poh\n\n IF( COEFF .EQ. 0.0D0 ) CYCLE\n\nc..call routine to create output line & write it\n NPOS = 20\n RPOS1 = HO2\n RPOS2 = OH\n PPOS1 = OH\n PPOS2 = HO2\n CALL BLD_OUTLINE( 'LFREQ', 'L5', 'HO2', HO2, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n END DO\n \n WRITE( IOUT, 92000 ) \n LINOUT = ' L5 = 1.0D0 + L5 * DTC + R4_5 + R21_5'\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc L19 computation ( Loss of HONO )\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC L19 includes the following HONO loss terms:\nc a) loss from reactions in which OH is not produced\nc\nc Hence,\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n SPOUT = SPECIES( HONO )\n E1 = LEN_TRIM( SPOUT )\n WRITE( IOUT, 92000 )\n WRITE( IOUT, 94260 ) SPOUT( 1 : E1 )\n LRXN1 = .TRUE.\n DO N = 1, NRXNS \n\nc..Determine the rxn to include & get the coefficient for the loss term\n COEFF = 0.0D0\n CALL SUM_COEFF( RHONO, 'R', HONO, N )\n CALL SUM_COEFF( POH, 'P', OH, N )\n\n \n\n IF( RHONO .LE. 0.0D0 ) CYCLE ! Skip rxns w/ Lhono=0\n \n IF( POH .GT. 0.0D0 ) CYCLE ! Skip rxn w/ Poh>0\n\n COEFF = RHONO\n\nc..call routine to create output line & write it\n NPOS = 20\n RPOS1 = HONO\n RPOS2 = OH\n PPOS1 = OH\n PPOS2 = 0\n CALL BLD_OUTLINE( 'LFREQ', 'L19', 'HONO', HONO, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n END DO\n \n WRITE( IOUT, 92000 ) \n LINOUT = ' L19 = 1.0D0 + L19 * DTC + R4_19'\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc L21 computation ( Loss of HNO4 )\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC L21 includes the following HNO4 loss terms:\nc a) loss from reactions in which HO2 is not produced\nc b) in reactions in which HO2 is produced, the amount of HNO4 lost\nc in excess of the amount of HO2 formed\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n SPOUT = SPECIES( HNO4 )\n E1 = LEN_TRIM( SPOUT )\n WRITE( IOUT, 92000 )\n WRITE( IOUT, 94280 ) SPOUT( 1 : E1 )\n LRXN1 = .TRUE.\n DO N = 1, NRXNS \n\nc..Determine the rxn to include & get the coefficient for the loss term\n COEFF = 0.0D0\n CALL SUM_COEFF( RHNO4, 'R', HNO4, N )\n CALL SUM_COEFF( PHO2, 'P', HO2, N )\n\n IF( RHNO4 .LE. 0.0D0 ) CYCLE ! Skip rxns w/ Lhno4=0\n \n IF( PHO2 .GE. RHNO4 ) CYCLE ! Skip rxn w/ Pho2>Lhno4\n\n COEFF = RHNO4 - PHO2 ! Excess amount of HNO4 lost\n\nc..call routine to create output line & write it\n NPOS = 20\n RPOS1 = HNO4\n RPOS2 = HO2\n PPOS1 = HO2\n PPOS2 = 0\n CALL BLD_OUTLINE( 'LFREQ', 'L21', 'HNO4', HNO4, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n END DO\n \n WRITE( IOUT, 92000 ) \n LINOUT = ' L21 = 1.0D0 + L21 * DTC + R5_21'\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Continue reading template section\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\nc..finish reading skipped section of template (i.e., code between S1 markers)\n 200 CONTINUE\n\n READ( IIN, 92000, END = 300 ) LINEIN\n\n IF( LINEIN( 1 : 2 ) .EQ. 'S1' ) GO TO 300\n\n GO TO 200\n\n 300 CONTINUE\n\nc..Build line for the A term (coefficient of [HO2]**2 )\n LINOUT = ' A = 2.0D0 * ( RKI( '\n E1 = LEN_TRIM( LINOUT ) + 1\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n IF( IRR( N, 1 ) .NE. HO2 .OR. IRR( N, 2 ) .NE. HO2 ) CYCLE\n WRITE( RNUM, '(I5)' ) N\n IF( LRXN1 ) THEN\n LINOUT = LINOUT( 1 : E1 ) // RNUM // ' )'\n E1 = LEN_TRIM( LINOUT )\n LRXN1 = .FALSE.\n ELSE\n LINOUT = LINOUT( 1 : E1 ) // ' + RKI( ' // RNUM // ' )'\n E1 = LEN_TRIM( LINOUT )\n END IF\n END DO\n LINOUT = LINOUT( 1 : E1 ) // ' ) * DTC'\n\n 400 CONTINUE\n\n READ( IIN, 92000, END = 2000 ) LINEIN\n\n IF( LINEIN( 1 : 2 ) .EQ. 'R3' ) THEN\n\n WRITE( IOUT, 95000) SPECIES( HO2 )( 1 : LEN_TRIM( SPECIES( HO2 ) ) )\n\n ELSEIF( LINEIN( 1 : 2 ) .EQ. 'R4' ) THEN\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n ELSEIF( LINEIN( 1 : 2 ) .EQ. 'R5' ) THEN\n \n WRITE( IOUT, 95020) SPECIES( HO2 )( 1 : LEN_TRIM( SPECIES( HO2 ) ) )\n\n ELSEIF( LINEIN( 1 : 2 ) .EQ. 'R6' ) THEN\n \n WRITE( IOUT, 95040) SPECIES( OH )( 1 : LEN_TRIM( SPECIES( OH ) ) ),\n & SPECIES( HO2 )( 1 : LEN_TRIM( SPECIES( HO2 ) ) )\n ELSEIF( LINEIN( 1 : 2 ) .EQ. 'R7' ) THEN\n \n WRITE( IOUT, 95060) SPECIES( HNO4 )( 1 : LEN_TRIM( SPECIES( HNO4 ) ) ),\n & SPECIES( HO2 )( 1 : LEN_TRIM( SPECIES( HO2 ) ) )\n\n ELSEIF( LINEIN( 1 : 2 ) .EQ. 'R8' ) THEN\n \n WRITE( IOUT, 95080) SPECIES( HONO )( 1 : LEN_TRIM( SPECIES( HONO ) ) ),\n & SPECIES( OH )( 1 : LEN_TRIM( SPECIES( OH ) ) )\n\n ELSE\n\n WRITE( IOUT, 92000 ) LINEIN( 1 : LEN_TRIM( LINEIN ) )\n\n END IF\n\n GO TO 400\n \n2000 CONTINUE\n\n\n CLOSE( IIN )\n\n CLOSE( IOUT )\n\n NOUTFLS = NOUTFLS + 1\n OUTFLNAM( NOUTFLS ) = 'hrg2.F'\n\n RETURN \n\n 9000 MSG = 'ERROR: Could not open ' // FNAME( 1 : LEN_TRIM( FNAME ) )\n\n WRITE(LOGDEV,'(a)')TRIM( PNAME ) // ': ' // TRIM( MSG )\n STOP\n \n92000 FORMAT( A )\n92020 FORMAT( / )\n\n93000 FORMAT( 'C PRECONDITIONS: For the ', A, ' mechanism' )\n93020 FORMAT( 'C REVISION HISTORY: Created by EBI solver program, ', A )\n\n94000 FORMAT( \n & 'c..stoichiometric coefficient for production of HOX from O3 via O1D' )\n\n94010 FORMAT( \n & 'c..stoichiometric coefficient for production of OH from NO2EX' )\n\n94020 FORMAT(\n & 'c..Production of HO from HO2 (r4,5 terms )' )\n\n94040 FORMAT(\n & 'c..Production of HO from HONO (r4,19 terms )' )\n\n94060 FORMAT( \n & 'c..Remaining HO production' )\n\n94080 FORMAT( \n & 'c..Production of HO2 from OH ( r5,4 terms )' )\n\n94100 FORMAT( \n & 'c..Production of HO2 from HNO4 (r5,21 term )' )\n\n94120 FORMAT( \n & 'c..Remaining HO2 production terms' )\n\n94140 FORMAT( \n & 'c..Production of HONO from OH (r19,4 terms )' )\n\n94160 FORMAT( \n & 'c..Remaining HONO production terms' )\n\n94180 FORMAT( \n & 'c..Production of ', A, ' from ', A, ' (r21,5 term )' )\n\n94200 FORMAT( \n & 'c..Remaining ', A, ' production terms' )\n\n94220 FORMAT( \n & 'c..', A, ' loss terms not in R5_4 & R19_4' )\n\n94240 FORMAT( \n & 'c..', A, ' loss terms not included in R4_5 & R21_5',\n & ' (except for ', A, '+', A, ' )' )\n\n94260 FORMAT( \n & 'c..', A, ' loss terms not included in R4_19' )\n\n94280 FORMAT( \n & 'c..', A, ' loss terms not included in R5_21' )\n\n95000 FORMAT( \n & 'c..solve quadratic equation for ', A )\n\n95020 FORMAT( \n & ' YCP( ', A, ' ) = MAX( Q / A , -C / Q )' )\n\n95040 FORMAT( \n & ' YCP( ', A, ' ) = ( ( P4 + R4_5 * YCP( ', A, \n & ' ) ) * L19 + R4_19 * P19 ) * T1' )\n\n95060 FORMAT( \n & ' YCP( ', A, ' ) = ( P21 + R21_5 * YCP( ', A, \n & ' ) ) * L21_INV' )\n\n95080 FORMAT( \n & ' YCP( ', A, ' ) = ( P19 + R19_4 * YCP( ', A, \n & ' ) ) / L19' )\n\n END\n\n\n" }, { "path": "UTIL/create_ebi/src/wr_gp2.F_02-27-06", "content": " SUBROUTINE WR_GP2\n\nC**********************************************************************\nC\nC FUNCTION: Create source code for the hrgp2 subroutine in EBI\nC\nC PRECONDITIONS: None\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by Jerry Gipson, February, 2004\nC\nC**********************************************************************\n USE ENV_VARS\n USE GLOBAL_DATA\n\n IMPLICIT NONE\n\nC..INCLUDES: \n INCLUDE SUBST_IOPARMS ! IOAPI parameters\n INCLUDE SUBST_IODECL ! IOAPI declarations\n INCLUDE SUBST_GC_SPC ! Mechanism gas-phase species\n INCLUDE SUBST_RXCMMN ! Mechanism data\n \nC..ARGUMENTS: None\n\nC..PARAMETERS:\n INTEGER, PARAMETER :: GRPNO = 2\n\nC..EXTERNAL FUNCTIONS:\n INTEGER JUNIT ! gets unit no.\n INTEGER INDEX1 ! find position of string in list\n\nC..SAVED LOCAL VARIABLES: None\n \nC..SCRATCH LOCAL VARIABLES:\n CHARACTER( 16 ) :: PNAME = 'WR_GP2' ! Program name\n CHARACTER( 256 ) :: MSG ! Message text\n CHARACTER( 100 ) :: LINEIN ! Input line\n CHARACTER( CL ) :: SPOUT ! Ouput species\n CHARACTER( 16 ) :: SPEC \n CHARACTER( 256 ) :: FNAME ! Name of file to open\n CHARACTER( 72 ) :: CLINE ! Line of c's\n CHARACTER( 100 ) :: LINOUT\n CHARACTER( 100 ) :: RXOUT\n CHARACTER( 100 ) :: BLANK_LINE\n CHARACTER*( 3 ) :: RNUM ! Reaction number\n CHARACTER*( 6 ) :: COUT ! Output coefficient\n CHARACTER*( 1 ) :: SGN ! Coefficient sign\n \n\n INTEGER :: E1, E2 ! end pos of string\n INTEGER :: IND ! array index\n INTEGER :: IIN ! Unit no. of input file\n INTEGER :: IOUT ! Unit no. of output file\n INTEGER :: LOGDEV ! Unit no. of logdev\n INTEGER :: N, S, P, R ! Loop indices\n INTEGER :: NR ! No. of reactants\n INTEGER :: NPOS ! Reaction index\n INTEGER :: RPOS1 !\n INTEGER :: RPOS2 !\n INTEGER :: PPOS1 !\n INTEGER :: PPOS2 !\n\n\n\n LOGICAL :: LFIRST\n LOGICAL :: LRXN1\n\n\n REAL :: COEFF\n\n REAL :: ROH\n REAL :: RHO2\n REAL :: POH\n REAL :: PHO2\n\n REAL :: RHONO\n REAL :: PHONO\n REAL :: RHNO4\n REAL :: PHNO4\n\n \n\nC**********************************************************************\n\n DO N = 1, 72\n CLINE( N : N ) = 'c'\n ENDDO\n\n DO N = 1, 100\n BLANK_LINE( N : N ) = ' '\n ENDDO\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Open ouput file and code template \nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n LOGDEV = INIT3()\n\n E1 = LEN_TRIM( OUTPATH )\n\n FNAME = OUTPATH( 1 : E1 ) // '/hrg2.F' \n\n IOUT = JUNIT()\n\n OPEN( UNIT = IOUT, FILE = FNAME, ERR = 9000 )\n\n\n IIN = JUNIT()\n\n E1 = LEN_TRIM( TMPLPATH )\n\n FNAME = TMPLPATH( 1 : E1 ) // '/hrg2.F' \n\n OPEN( UNIT = IIN, FILE = FNAME, ERR = 9000 )\n\n\n IF( LWR_COPY ) CALL WR_COPYRT( IOUT )\n\n IF( LWR_CVS_HDR ) CALL WR_CVSHDR( IOUT )\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Read, modify, and write 1st section of code from template\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n 100 CONTINUE\n\n READ( IIN, 92000, END = 1000 ) LINEIN\n\n IF( LINEIN( 1 : 2 ) .EQ. 'R1' ) THEN\n\n WRITE( IOUT, 93000 ) GC_TAG( 1 : LEN_TRIM( GC_TAG ) )\n\n GO TO 100\n\n ELSEIF( LINEIN( 1 : 2 ) .EQ. 'R2' ) THEN\n\n WRITE( IOUT, 93020 ) CR_DATE( 1 : LEN_TRIM( CR_DATE ) )\n\n GO TO 100\n \n ELSEIF( LINEIN( 1 : 2 ) .EQ. 'S1' ) THEN\n\n GO TO 1000\n\n ELSE\n\n WRITE( IOUT, 92000 ) LINEIN( 1 : LEN_TRIM( LINEIN ) )\n\n GO TO 100\n\n ENDIF\n\n 1000 CONTINUE\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Do O1D section\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n WRITE( IOUT, 92020 )\n WRITE( IOUT, 94000 )\n\n\nc..get all reactions in which O1D is reacting\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n\n IF ( IRR( N, 1 ) .NE. O1D ) CYCLE ! Skip Rxns w/ Lo1d=0\n\n COEFF = 1.0\n\n NPOS = 20\n RPOS1 = O1D\n RPOS2 = 0\n PPOS1 = 0\n PPOS2 = 0\n CALL BLD_OUTLINE( 'LFREQ', 'O1D_S', 'O1D', O1D, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n ENDDO\n\n WRITE( IOUT, 92000 )\n\n\nc..get reaction(s) producing OH from O1D\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n\n IF ( IRR( N, 1 ) .NE. O1D .OR. IRR( N, 4 ) .NE. OH ) CYCLE \n\n COEFF = SC( N, 1 )\n\n NPOS = 20\n RPOS1 = O1D\n RPOS2 = 0\n PPOS1 = OH\n PPOS2 = 0\n CALL BLD_OUTLINE( 'LFREQ', 'OH_S', 'O1D', O1D, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n ENDDO\n\nc..write the the final line \n WRITE( IOUT, 92000 )\n LINOUT = ' OH_S = OH_S / O1D_S'\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\nc..get reaction(s) producing HO2 from O1D\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n\n IF ( IRR( N, 1 ) .NE. O1D .OR. IRR( N, 4 ) .NE. HO2 ) CYCLE \n\n COEFF = SC( N, 1 )\n\n NPOS = 20\n RPOS1 = O1D\n RPOS2 = 0\n PPOS1 = HO2\n PPOS2 = 0\n CALL BLD_OUTLINE( 'LFREQ', 'HO2_S', 'O1D', O1D, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n ENDDO\n\nc..write the the final line \n IF( E1 .GT. 2)THEN\n print*,e1,'xx', LINOUT( 1 : E1 )\n WRITE( IOUT, 92000 )\n LINOUT = ' HO2_S = HO2_S / O1D_S'\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n ENDIF\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc R4_5 computation ( Production of OH from reactions of HO2 )\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC R4_5 includes OH production from the following reactions: \nc a) those in which OH is produced form HO2 (include only\nc equivalent amounts of loss and production)\nc\nc Hence,\nc\nc {aOH +} bHO2 {+ X} = cOH + dHO2\nc if c le a ==> Poh = 0, so R4_5 coeff = 0\nc if c gt a ==> Poh > 0 \nc if b le d ==> Lho2 = 0, so R4_5 coeff = 0\nc if b gt d ==> Lho2 > 0, so\nc if b-d > c-a ==> Lho2 > Poh, so R4_5 coeff = c-a\nc if b-d = c-a ==> Lho2 = Poh, so R4_5 coeff = c-a\nc if b-d < c-a ==> Lho2 < Poh, so R4_5 coeff = b-d\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc..Write the section header\n WRITE( IOUT, 92000 )\n WRITE( IOUT, 94020 )\n\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n\nc..find the rxns to include and set the coefficient\n COEFF = 0.0\n CALL SUM_COEFF( ROH, 'R', OH, N )\n CALL SUM_COEFF( RHO2, 'R', HO2, N )\n CALL SUM_COEFF( POH, 'P', OH, N )\n CALL SUM_COEFF( PHO2, 'P', HO2, N )\n\n IF( POH .LE. ROH ) CYCLE ! Skip if Poh=0 \n\n IF( RHO2 .LE. PHO2 ) CYCLE ! Skip if Lho2=0\n\n IF( RHO2 - PHO2 .GE. POH - ROH ) THEN\n COEFF = POH - ROH ! for Lho2 >= Poh\n ELSE\n COEFF = RHO2 - PHO2 ! for Lho2 < Poh\n ENDIF\n\n IF( COEFF .EQ. 0.0 ) CYCLE\n\nc..call routine to create output line & write it\n NPOS = 20\n RPOS1 = HO2\n RPOS2 = OH\n PPOS1 = OH\n PPOS2 = HO2\n CALL BLD_OUTLINE( 'LFREQ', 'R4_5', 'HO2', HO2, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n ENDDO \n\n WRITE( IOUT, 92000 ) \n WRITE( IOUT, '( A )' ) ' R4_5 = R4_5 * DTC'\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc R4_19 computation ( Production of OH from reactions of HONO )\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC R4_19 includes OH production from the following reaction: \nc a) HONO=OH+NO\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n WRITE( IOUT, 92000 )\n WRITE( IOUT, 94040 )\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n\nc..Skip reactions other than HONO=OH+NO or HONO=NO+OH\n IF( IRR( N, 1 ) .NE. HONO ) CYCLE\n IF( ( IRR( N, 4 ) .NE. OH .OR. IRR( N, 5 ) .NE. NO ) .AND.\n & ( IRR( N, 5 ) .NE. OH .OR. IRR( N, 4 ) .NE. NO ) ) CYCLE\n\n COEFF = 1.0\n\nc..call routine to create output line & write it\n NPOS = 20\n RPOS1 = HONO\n RPOS2 = 0\n PPOS1 = OH\n PPOS2 = 0\n CALL BLD_OUTLINE( 'LFREQ', 'R4_19', 'HONO', HONO, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n ENDDO \n\n WRITE( IOUT, 92000 ) \n WRITE( IOUT, '( A )' ) ' R4_19 = R4_19 * DTC'\n\n\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc P4 computation ( Production of OH )\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC P4 includes OH production terms from the following reactions: \nc a) those in which OH is produced & HO2 & HONO are NOT reactants\nc b) those in which OH is produced and HO2 is consumed and the \nc OH production rate exceeds the HO2 loss rate (excess amount only)\nc\nc Hence,\nc\nc {aOH +} bHO2 {+ X} = cOH + dHO2\nc if c le a ==> Poh=o, so P1 coeff = 0 \nc if c gt a ==> Poh > 0, so\nc if b le d ==> Lho2 = 0, so P4 coeff = c-a\nc if b gt d ==> Lho2 > 0, so\nc if b-d > c-a ==> Lho2 > Poh, so P4 coeff = 0\nc if b-d = c-a ==> Lho2 = Poh, so P4 coeff = 0\nc if b-d < c-a ==> Lho2 < Poh, so P4 coeff = (c-a) - (b-d)\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n WRITE( IOUT, 92000 )\n WRITE( IOUT, 94060 )\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n\nc..Determine the reactions to include & get coefficients for the prod terms\n COEFF = 0.0\n CALL SUM_COEFF( ROH, 'R', OH, N )\n CALL SUM_COEFF( RHO2, 'R', HO2, N )\n CALL SUM_COEFF( POH, 'P', OH, N )\n CALL SUM_COEFF( PHO2, 'P', HO2, N )\n\n IF( POH .LE. ROH ) CYCLE ! Skip rxns with Poh=0\n\n IF( IRR( N, 1 ) .EQ. HONO .AND. ! Skip HONO=OH+NO rxn\n & POH .GT. 0.0 ) CYCLE \n\n IF( RHO2 .LE. PHO2 ) THEN ! Rxns with Lho2=0\n COEFF = POH - ROH \n ELSEIF( RHO2 - PHO2 .LT. POH - ROH ) THEN ! Rxns w/ Lho2 < Poh \n COEFF = ( POH - ROH ) - ( RHO2 - PHO2 )\n ENDIF \n\n\n IF( COEFF .EQ. 0.0 ) CYCLE \n\nc..call routine to create output line & write it\n NPOS = 30\n RPOS1 = HO2\n RPOS2 = OH\n PPOS1 = OH\n PPOS2 = HO2\n CALL BLD_OUTLINE( 'RXRAT', 'P4', ' ', 0, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n IF( E1 .LT. 2)CYCLE\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n ENDDO\n\n SPOUT = ADJUSTL( GC_SPC( OH ) )\n E1 = LEN_TRIM( SPOUT )\n WRITE( IOUT, 92000 ) \n WRITE( IOUT, '( 3A )' ) ' P4 = YC0( ', SPOUT( 1 : E1 ),\n & ' ) + P4 * DTC'\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc R5_4 computation ( Production of HO2 from reactions of OH )\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC R5_4 includes OH production from the following reactions: \nc a) those in which HO2 is produced from OH (include only\nc equivalent amounts of loss and production) \nc\nc Hence,\nc\nc aOH {+ bHO2} {+ X} = cOH + dHO2\nc if d le b ==> Pho2 = 0, so R5_4 coeff = 0\nc if d gt b ==> Pho2 > 0 \nc if a le c ==> Loh = 0, so R5_4 coeff = 0\nc if c gt a ==> Loh > 0, so\nc if d-b > a-c ==> Pho2 > Loh, so R4_5 coeff = a-c\nc if d-b = a-c ==> Pho2 = Loh, so R4_5 coeff = a-c\nc if d-b < a-c ==> Pho2 < Loh, so R4_5 coeff = d-b\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc..Write the section header\n WRITE( IOUT, 92000 )\n WRITE( IOUT, 94080 )\n\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n\nc..find the rxns to include and set the coefficient\n COEFF = 0.0\n CALL SUM_COEFF( ROH, 'R', OH, N )\n CALL SUM_COEFF( RHO2, 'R', HO2, N )\n CALL SUM_COEFF( POH, 'P', OH, N )\n CALL SUM_COEFF( PHO2, 'P', HO2, N )\n\n IF( PHO2 .LE. RHO2 ) CYCLE ! Skip if Pho2=0 \n\n IF( ROH .LE. POH ) CYCLE ! Skip if Loh=0\n\n IF( PHO2 - RHO2 .GE. ROH - POH ) THEN\n COEFF = ROH - POH ! for Pho2 >= Loh\n ELSE\n COEFF = PHO2 - RHO2 ! for Pho2 < Loh\n ENDIF\n\n IF( COEFF .EQ. 0.0 ) CYCLE\n\nc..call routine to create output line & write it\n NPOS = 20\n RPOS1 = OH\n RPOS2 = HO2\n PPOS1 = HO2\n PPOS2 = OH\n CALL BLD_OUTLINE( 'LFREQ', 'R5_4', 'OH', OH, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n ENDDO \n\n WRITE( IOUT, 92000 ) \n WRITE( IOUT, '( A )' ) ' R5_4 = R5_4 * DTC'\n\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc R5_21 computation ( Production of HO2 from reactions of HNO4 )\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC R5_21 includes OH production from the following reaction: \nc a) those in which HO2 is produced form the raction of HNO4\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n WRITE( IOUT, 92000 )\n WRITE( IOUT, 94100 )\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n\nc..find the rxns to include and set the coefficient\n COEFF = 0.0\n CALL SUM_COEFF( RHNO4, 'R', HNO4, N )\n CALL SUM_COEFF( PHO2, 'P', HO2, N )\n\n IF( RHNO4 .LE. 0.0 .OR. PHO2 .LE. 0.0 ) CYCLE ! Skip if Pho2=0 or\n ! Lhno4=0\n COEFF = MIN( PHO2, RHNO4 )\n\nc..call routine to create output line & write it\n NPOS = 20\n RPOS1 = HNO4\n RPOS2 = 0\n PPOS1 = HO2\n PPOS2 = 0\n CALL BLD_OUTLINE( 'LFREQ', 'R5_21', 'HNO4', HNO4, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n ENDDO \n\n WRITE( IOUT, 92000 ) \n WRITE( IOUT, '( A )' ) ' R5_21 = R5_21 * DTC'\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc P5 computation ( Production of HO2 )\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC P5 includes OH production terms from the following reactions: \nc a) those in which HO2 is produced & OH & HNO4 are NOT reactants\nc b) those in which HO2 is produced and OH is consumed and the \nc HO2 production rate exceeds the OH loss rate (excess amount only)\nc c) those in which HO2 is produced and HNO4 is consumed and the \nc HO2 production rate exceeds the HNO4 loss rate (excess amount only)\nc\nc Hence,\nc\nc {aOH +} bHO2 {+ X} = cOH + dHO2\nc if d le b ==> Pho2=o, so P5 coeff = 0 \nc if d gt b ==> Pho2 > 0, so\nc if a le c ==> Loh = 0, so P5 coeff = d-b\nc if a gt c ==> Loh > 0, so\nc if d-b > a-c ==> Pho2 > Loh, so P5 coeff = (d-b)-(a-c)\nc if d-b = a-c ==> Pho2 = Loh, so P5 coeff = 0\nc if d-b < a-c ==> Pho2 < Loh, so P5 coeff = 0\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n WRITE( IOUT, 92000 )\n WRITE( IOUT, 94120 )\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n\nc..Determine the reactions to include & get coefficients for the prod terms\n COEFF = 0.0\n CALL SUM_COEFF( ROH, 'R', OH, N )\n CALL SUM_COEFF( RHO2, 'R', HO2, N )\n CALL SUM_COEFF( RHNO4, 'R', HNO4, N )\n CALL SUM_COEFF( POH, 'P', OH, N )\n CALL SUM_COEFF( PHO2, 'P', HO2, N )\n\n IF( PHO2 .LE. RHO2 ) CYCLE ! Skip rxns with Pho2=0\n\n IF( RHNO4 .GT. 0.0 ) THEN\n IF( RHO2 .GT. RHNO4 ) COEFF = RHO2 - RHNO4 ! Rxns w/ Ph02>Lhno4\n ELSE\n IF( ROH .LE. POH ) THEN ! Rxns w/ Ph02>0 & Loh=0\n COEFF = PHO2 - RHO2 \n ELSEIF( PHO2 - RHO2 .GT. ROH - POH ) THEN\n COEFF = ( PHO2 - RHO2 ) - ( ROH - POH ) !Rxns w/ Pho2>0 & Loh>0\n ENDIF ! and Pho2 > Loh\n ENDIF\n\n\n IF( COEFF .EQ. 0.0 ) CYCLE \n\nc..call routine to create output line & write it\n NPOS = 30\n RPOS1 = HO2\n RPOS2 = OH\n PPOS1 = HO2\n PPOS2 = OH\n CALL BLD_OUTLINE( 'RXRAT', 'P5', ' ', 0, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n IF( E1 .LT. 2)CYCLE\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n ENDDO\n\n SPOUT = ADJUSTL( GC_SPC( HO2 ) )\n E1 = LEN_TRIM( SPOUT )\n WRITE( IOUT, 92000 ) \n WRITE( IOUT, '( 3A )' ) ' P5 = YC0( ', SPOUT( 1 : E1 ),\n & ' ) + P5 * DTC'\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc R19_4 computation ( Production of HONO from reactions of OH )\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC R19_4 includes HONO production from the following reaction: \nc a) OH+NO=HONO\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n WRITE( IOUT, 92000 )\n WRITE( IOUT, 94140 )\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n\nc..Find OH+NO=HONO Rxn\n IF( ( IRR( N, 1 ) .EQ. OH .AND. IRR( N, 2 ) .EQ. NO .AND.\n & IRR( N, 4 ) .EQ. HONO ) .OR.\n & ( IRR( N, 1 ) .EQ. NO .AND. IRR( N, 2 ) .EQ. OH .AND.\n & IRR( N, 4 ) .EQ. HONO ) ) \n & WRITE( RNUM, '(I3)' ) N\n \n\n ENDDO \n\n SPOUT = ADJUSTL( GC_SPC( NO ) )\n LINOUT = ' R19_4 = RKI( ' // RNUM // ' ) * YC( ' //\n & SPOUT // ' ) * DTC ! OH+NO=HONO'\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) \n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n \n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc P19 computation ( Production of HONO )\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC P19 includes HONO production terms from the following reactions: \nc a) all that produce HONO except OH+NO=HONO\nc NOTE: there may be non in some mechanisms\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n WRITE( IOUT, 92000 )\n WRITE( IOUT, 94160 )\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n\nc..Determine the reactions to include & get coefficients for the prod terms\n COEFF = 0.0\n CALL SUM_COEFF( RHONO, 'R', HONO, N )\n CALL SUM_COEFF( PHONO, 'P', HONO, N )\n\n IF( PHONO .LE. RHONO ) CYCLE ! Skip rxns with Phono=0\n\n! Skip OH+NO=HONO Rxn\n IF( IRR( N, 1 ) .EQ. OH .AND. IRR( N, 2 ) .EQ. NO .OR.\n & IRR( N, 1 ) .EQ. NO .AND. IRR( N, 2 ) .EQ. OH )\n & CYCLE \n\n COEFF = PHONO ! Rxns w/ Phono>0\n\n IF( COEFF .EQ. 0.0 ) CYCLE \n\nc..call routine to create output line & write it\n NPOS = 30\n RPOS1 = OH\n RPOS2 = NO\n PPOS1 = HONO\n PPOS2 = 0\n CALL BLD_OUTLINE( 'RXRAT', 'P19', ' ', 0, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n ENDDO\n\n IF( LRXN1 ) THEN\n SPOUT = ADJUSTL( GC_SPC( HONO ) )\n E1 = LEN_TRIM( SPOUT )\n LINOUT = ' P19 = YC0( ' // SPOUT( 1 : E1 ) // ' )'\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n ELSE\n SPOUT = ADJUSTL( GC_SPC( HONO ) )\n E1 = LEN_TRIM( SPOUT )\n WRITE( IOUT, 92000 ) \n WRITE( IOUT, '( 3A )' ) ' P19 = YC0( ', SPOUT( 1 : E1 ),\n & ' ) + P19 * DTC'\n ENDIF\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc R21_5 computation ( Production of HNO4 from reactions of HO2 )\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC R21_5 includes HONO production from the following reaction: \nc a) HO2+NO2=HNO4\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n E1 = LEN_TRIM( GC_SPC( HNO4 ) )\n E2 = LEN_TRIM( GC_SPC( HO2 ) )\n WRITE( IOUT, 92000 )\n WRITE( IOUT, 94180 ) GC_SPC( HNO4 )( 1 : E1 ), GC_SPC( HO2 )( 1 : E2 )\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n\nc..Find OH+NO=HONO Rxn\n IF( ( IRR( N, 1 ) .EQ. HO2 .AND. IRR( N, 2 ) .EQ. NO2 .AND.\n & IRR( N, 4 ) .EQ. HNO4 ) .OR.\n & ( IRR( N, 1 ) .EQ. NO2 .AND. IRR( N, 2 ) .EQ. HO2 .AND.\n & IRR( N, 4 ) .EQ. HNO4 ) ) \n & WRITE( RNUM, '(I3)' ) N\n \n\n ENDDO \n\n SPOUT = ADJUSTL( GC_SPC( NO2 ) )\n LINOUT = ' R21_5 = RKI( ' // RNUM // ' ) * YC( ' //\n & SPOUT // ' ) * DTC ! HO2+NO2=HNO4'\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) \n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc P21 computation ( Production of HNO4 )\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC P19 includes HONO production terms from the following reactions: \nc a) all that produce HNO4 except HO2+NO2=HNO4\nc NOTE: Usually none\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n E1 = LEN_TRIM( GC_SPC( HNO4 ) )\n WRITE( IOUT, 92000 )\n WRITE( IOUT, 94200 ) GC_SPC( HNO4 )( 1 : E1 )\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n\nc..Determine the reactions to include & get coefficients for the prod terms\n COEFF = 0.0\n CALL SUM_COEFF( RHNO4, 'R', HNO4, N )\n CALL SUM_COEFF( PHNO4, 'P', HNO4, N )\n\n IF( PHNO4 .LE. RHNO4 ) CYCLE ! Skip rxns with Phno4=0\n\n! Skip HO2+NO2=HNO4 Rxn\n IF( IRR( N, 1 ) .EQ. HO2 .AND. IRR( N, 2 ) .EQ. NO2 .OR.\n & IRR( N, 1 ) .EQ. NO2 .AND. IRR( N, 2 ) .EQ. HO2 )\n & CYCLE \n\n COEFF = PHNO4 ! Rxns w/ Phono>0\n\n IF( COEFF .EQ. 0.0 ) CYCLE \n\nc..call routine to create output line & write it\n NPOS = 30\n RPOS1 = OH\n RPOS2 = NO\n PPOS1 = HONO\n PPOS2 = 0\n CALL BLD_OUTLINE( 'RXRAT', 'P21', ' ', 0, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n ENDDO\n\n IF( LRXN1 ) THEN\n SPOUT = ADJUSTL( GC_SPC( HNO4 ) )\n E1 = LEN_TRIM( SPOUT )\n LINOUT = ' P21 = YC0( ' // SPOUT( 1 : E1 ) // ' )' \n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n ELSE\n WRITE( IOUT, 92000 ) \n SPOUT = ADJUSTL( GC_SPC( HNO4 ) )\n E1 = LEN_TRIM( SPOUT )\n WRITE( IOUT, '( 3A )' ) ' P21 = YC0( ', SPOUT( 1 : E1 ),\n & ' ) + P21 * DTC'\n ENDIF\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc L4 computation ( Loss of OH )\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC L4 includes the following OH loss terms:\nc a) loss from reactions in which HO2 or HONO is not produced\nc b) in reactions in which HO2 is produced, the amount of OH lost\nc in excess of the amount of HO2 formed\nc\nc Hence,\nc\nc aOH {+ bHO2} {+ X} = cOH + dHO2\nc if a le c ==> Loh = 0, so L4 coeff =0\nc if a gt c ==> Loh > 0, so\nc if d le b ==> Pho2 = 0 so L4 coeff = (a-c)\nc if d gt b ==> Pho2 > 0, so \nc if a-c le d-b ==> Loh < Pho2, so L4 coeff = 0\nc if a-c gt d-b ==> Loh > Pho2, so L4 coeff = (a-c)-(d-b)\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n E1 = LEN_TRIM( GC_SPC( OH ) )\n WRITE( IOUT, 92000 )\n WRITE( IOUT, 94220 ) GC_SPC( OH )( 1 : E1 )\n LRXN1 = .TRUE.\n DO N = 1, NRXNS \n\nc..Determine the rxn to include & get the coefficient for the loss term\n COEFF = 0.0\n CALL SUM_COEFF( ROH, 'R', OH, N )\n CALL SUM_COEFF( RHO2, 'R', HO2, N )\n CALL SUM_COEFF( POH, 'P', OH, N )\n CALL SUM_COEFF( PHO2, 'P', HO2, N )\n\n IF( ROH .LE. POH ) CYCLE ! Skip rxns w/ Loh=0\n\n IF( IRR( N, 4 ) .EQ. HONO .AND. ! Skip OH+NO=HONO rxn\n & ROH .GT. 0.0 ) CYCLE \n \n IF( PHO2 .LE. RHO2 ) COEFF = ROH - POH ! Rxns w/ Loh > 0 &\n ! Pho2 = 0\n IF( PHO2 .GT. RHO2 .AND.\n & ROH - POH .GT. PHO2 - RHO2 ) ! Rxns w/ Loh > 0 &\n & COEFF = ROH - POH - ( PHO2 - RHO2 ) ! Pho2 > 0\n\n IF( COEFF .EQ. 0.0 ) CYCLE\n\nc..call routine to create output line & write it\n NPOS = 20\n RPOS1 = OH\n RPOS2 = HO2\n PPOS1 = HO2\n PPOS2 = OH\n CALL BLD_OUTLINE( 'LFREQ', 'L4', 'OH', OH, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n ENDDO\n \n WRITE( IOUT, 92000 ) \n LINOUT = ' L4 = 1.0 + L4 * DTC + R5_4 + R19_4'\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc L5 computation ( Loss of HO2 )\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC L5 includes the following HO2 loss terms:\nc a) loss from reactions in which HO2 or HNO4 is not produced\nc EXCEPTION: HO2+HO2=H2O2\nc b) in reactions in which OH is produced, the amount of HO2 lost\nc in excess of the amount of OH formed\nc\nc Hence,\nc\nc aOH {+ bHO2} {+ X} = cOH + dHO2\nc if b le d ==> Lho2 = 0, so L5 coeff =0\nc if b gt d ==> Lho2 > 0, so\nc if c le a ==> Poh = 0 so L5 coeff = (a-c)\nc if c gt a ==> Poh > 0, so \nc if b-d le c-a ==> Lho2 < Poh, so L5 coeff = 0\nc if b-d gt c-a ==> Lho2 > Poh, so L5 coeff = (b-d)-(c-a)\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n SPOUT = GC_SPC( HO2 )\n E1 = LEN_TRIM( SPOUT )\n WRITE( IOUT, 92000 )\n WRITE( IOUT, 94240 ) SPOUT( 1 : E1 ), SPOUT( 1 : E1 ), SPOUT( 1 : E1 )\n LRXN1 = .TRUE.\n DO N = 1, NRXNS \n\nc..Determine the rxn to include & get the coefficient for the loss term\n COEFF = 0.0\n CALL SUM_COEFF( ROH, 'R', OH, N )\n CALL SUM_COEFF( RHO2, 'R', HO2, N )\n CALL SUM_COEFF( POH, 'P', OH, N )\n CALL SUM_COEFF( PHO2, 'P', HO2, N )\n\n IF( RHO2 .LE. PHO2 ) CYCLE ! Skip rxns w/ Lho2=0\n\n IF( IRR( N, 4 ) .EQ. HNO4 .AND. ! Skip HO2+NO2=HNO4 rxn\n & RHO2 .GT. 0.0 ) CYCLE \n \n IF( RHO2 .GE. 2.0 ) CYCLE ! Skip HO2+HO2 rxns\n\n IF( POH .LE. ROH ) COEFF = RHO2 - PHO2 ! Rxns w/ Lho2 > 0 &\n ! Poh = 0\n IF( POH .GT. ROH .AND.\n & RHO2 - PHO2 .GT. POH - ROH ) ! Rxns w/ Loh > 0 &\n & COEFF = RHO2 - PHO2 - ( POH - ROH ) ! Pho2 > 0 & Lho2>Poh\n\n IF( COEFF .EQ. 0.0 ) CYCLE\n\nc..call routine to create output line & write it\n NPOS = 20\n RPOS1 = HO2\n RPOS2 = OH\n PPOS1 = OH\n PPOS2 = HO2\n CALL BLD_OUTLINE( 'LFREQ', 'L5', 'HO2', HO2, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n ENDDO\n \n WRITE( IOUT, 92000 ) \n LINOUT = ' L5 = 1.0 + L5 * DTC + R4_5 + R21_5'\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc L19 computation ( Loss of HONO )\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC L19 includes the following HONO loss terms:\nc a) loss from reactions in which OH is not produced\nc\nc Hence,\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n SPOUT = GC_SPC( HONO )\n E1 = LEN_TRIM( SPOUT )\n WRITE( IOUT, 92000 )\n WRITE( IOUT, 94260 ) SPOUT( 1 : E1 )\n LRXN1 = .TRUE.\n DO N = 1, NRXNS \n\nc..Determine the rxn to include & get the coefficient for the loss term\n COEFF = 0.0\n CALL SUM_COEFF( RHONO, 'R', HONO, N )\n CALL SUM_COEFF( POH, 'P', OH, N )\n\n \n\n IF( RHONO .LE. 0.0 ) CYCLE ! Skip rxns w/ Lhono=0\n \n IF( POH .GT. 0.0 ) CYCLE ! Skip rxn w/ Poh>0\n\n COEFF = RHONO\n\nc..call routine to create output line & write it\n NPOS = 20\n RPOS1 = HONO\n RPOS2 = OH\n PPOS1 = OH\n PPOS2 = 0\n CALL BLD_OUTLINE( 'LFREQ', 'L19', 'HONO', HONO, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n ENDDO\n \n WRITE( IOUT, 92000 ) \n LINOUT = ' L19 = 1.0 + L19 * DTC + R4_19'\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc L21 computation ( Loss of HNO4 )\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC L21 includes the following HNO4 loss terms:\nc a) loss from reactions in which HO2 is not produced\nc b) in reactions in which HO2 is produced, the amount of HNO4 lost\nc in excess of the amount of HO2 formed\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n SPOUT = GC_SPC( HNO4 )\n E1 = LEN_TRIM( SPOUT )\n WRITE( IOUT, 92000 )\n WRITE( IOUT, 94280 ) SPOUT( 1 : E1 )\n LRXN1 = .TRUE.\n DO N = 1, NRXNS \n\nc..Determine the rxn to include & get the coefficient for the loss term\n COEFF = 0.0\n CALL SUM_COEFF( RHNO4, 'R', HNO4, N )\n CALL SUM_COEFF( PHO2, 'P', HO2, N )\n\n IF( RHNO4 .LE. 0.0 ) CYCLE ! Skip rxns w/ Lhno4=0\n \n IF( PHO2 .GE. RHNO4 ) CYCLE ! Skip rxn w/ Pho2>Lhno4\n\n COEFF = RHNO4 - PHO2 ! Excess amount of HNO4 lost\n\nc..call routine to create output line & write it\n NPOS = 20\n RPOS1 = HNO4\n RPOS2 = HO2\n PPOS1 = HO2\n PPOS2 = 0\n CALL BLD_OUTLINE( 'LFREQ', 'L21', 'HNO4', HNO4, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n ENDDO\n \n WRITE( IOUT, 92000 ) \n LINOUT = ' L21 = 1.0 + L21 * DTC + R5_21'\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Continue reading template section\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\nc..finish reading skipped section of template (i.e., code between S1 markers)\n 200 CONTINUE\n\n READ( IIN, 92000, END = 300 ) LINEIN\n\n IF( LINEIN( 1 : 2 ) .EQ. 'S1' ) GO TO 300\n\n GO TO 200\n\n 300 CONTINUE\n\nc..Build line for the A term (coefficient of [HO2]**2 )\n LINOUT = ' A = 2.0 * ( RKI( '\n E1 = LEN_TRIM( LINOUT ) + 1\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n IF( IRR( N, 1 ) .NE. HO2 .OR. IRR( N, 2 ) .NE. HO2 ) CYCLE\n WRITE( RNUM, '(I3)' ) N\n IF( LRXN1 ) THEN\n LINOUT = LINOUT( 1 : E1 ) // RNUM // ' )'\n E1 = LEN_TRIM( LINOUT )\n LRXN1 = .FALSE.\n ELSE\n LINOUT = LINOUT( 1 : E1 ) // ' + RKI( ' // RNUM // ' )'\n E1 = LEN_TRIM( LINOUT )\n ENDIF\n ENDDO\n LINOUT = LINOUT( 1 : E1 ) // ' ) * DTC'\n\n 400 CONTINUE\n\n READ( IIN, 92000, END = 2000 ) LINEIN\n\n IF( LINEIN( 1 : 2 ) .EQ. 'R3' ) THEN\n\n WRITE( IOUT, 95000) GC_SPC( HO2 )( 1 : LEN_TRIM( GC_SPC( HO2 ) ) )\n\n ELSEIF( LINEIN( 1 : 2 ) .EQ. 'R4' ) THEN\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n ELSEIF( LINEIN( 1 : 2 ) .EQ. 'R5' ) THEN\n \n WRITE( IOUT, 95020) GC_SPC( HO2 )( 1 : LEN_TRIM( GC_SPC( HO2 ) ) )\n\n ELSEIF( LINEIN( 1 : 2 ) .EQ. 'R6' ) THEN\n \n WRITE( IOUT, 95040) GC_SPC( OH )( 1 : LEN_TRIM( GC_SPC( OH ) ) ),\n & GC_SPC( HO2 )( 1 : LEN_TRIM( GC_SPC( HO2 ) ) )\n ELSEIF( LINEIN( 1 : 2 ) .EQ. 'R7' ) THEN\n \n WRITE( IOUT, 95060) GC_SPC( HNO4 )( 1 : LEN_TRIM( GC_SPC( HNO4 ) ) ),\n & GC_SPC( HO2 )( 1 : LEN_TRIM( GC_SPC( HO2 ) ) )\n\n ELSEIF( LINEIN( 1 : 2 ) .EQ. 'R8' ) THEN\n \n WRITE( IOUT, 95080) GC_SPC( HONO )( 1 : LEN_TRIM( GC_SPC( HONO ) ) ),\n & GC_SPC( OH )( 1 : LEN_TRIM( GC_SPC( OH ) ) )\n\n ELSE\n\n WRITE( IOUT, 92000 ) LINEIN( 1 : LEN_TRIM( LINEIN ) )\n\n ENDIF\n\n GO TO 400\n \n2000 CONTINUE\n\n\n CLOSE( IIN )\n\n CLOSE( IOUT )\n\n RETURN \n\n 9000 MSG = 'ERROR: Could not open ' // FNAME( 1 : LEN_TRIM( FNAME ) )\n\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT2 )\n \n92000 FORMAT( A )\n92020 FORMAT( / )\n\n93000 FORMAT( 'C PRECONDITIONS: For the ', A, ' family of mechanisms' )\n93020 FORMAT( 'C REVISION HISTORY: Created by EBI solver program, ', A )\n\n94000 FORMAT( \n & 'c..stoichiometric coefficient for production of OH from O3 via O1D' )\n\n94020 FORMAT(\n & 'c..Production of HO from HO2 (r4,5 terms )' )\n\n94040 FORMAT(\n & 'c..Production of HO from HONO (r4,19 terms )' )\n\n94060 FORMAT( \n & 'c..Remaining HO production' )\n\n94080 FORMAT( \n & 'c..Production of HO2 from OH ( r5,4 terms )' )\n\n94100 FORMAT( \n & 'c..Production of HO2 from HNO4 (r5,21 term )' )\n\n94120 FORMAT( \n & 'c..Remaining HO2 production terms' )\n\n94140 FORMAT( \n & 'c..Production of HONO from OH (r19,4 terms )' )\n\n94160 FORMAT( \n & 'c..Remaining HONO production terms' )\n\n94180 FORMAT( \n & 'c..Production of ', A, ' from ', A, ' (r21,5 term )' )\n\n94200 FORMAT( \n & 'c..Remaining ', A, ' production terms' )\n\n94220 FORMAT( \n & 'c..', A, ' loss terms not in R5_4 & R19_4' )\n\n94240 FORMAT( \n & 'c..', A, ' loss terms not included in R4_5 & R21_5',\n & ' (except for ', A, '+', A, ' )' )\n\n94260 FORMAT( \n & 'c..', A, ' loss terms not included in R4_19' )\n\n94280 FORMAT( \n & 'c..', A, ' loss terms not inluded in R5_21' )\n\n95000 FORMAT( \n & 'c..solve quadratic equation for ', A )\n\n95020 FORMAT( \n & ' YCP( ', A, ' ) = MAX( Q / A , -C / Q )' )\n\n95040 FORMAT( \n & ' YCP( ', A, ' ) = ( ( P4 + R4_5 * YCP( ', A, \n & ' ) ) * L19 + R4_19 * P19 ) * T1' )\n\n95060 FORMAT( \n & ' YCP( ', A, ' ) = ( P21 + R21_5 * YCP( ', A, \n & ' ) ) * L21_INV' )\n\n95080 FORMAT( \n & ' YCP( ', A, ' ) = ( P19 + R19_4 * YCP( ', A, \n & ' ) ) / L19' )\n\n END\n\n\n" }, { "path": "UTIL/create_ebi/src/wr_gp3.F", "content": " SUBROUTINE WR_GP3\n\nC**********************************************************************\nC\nC FUNCTION: Create source code for the hrgp3 subroutine in EBI\nC\nC PRECONDITIONS: None\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by Jerry Gipson, March, 2004\nC\nC**********************************************************************\n USE ENV_VARS\n USE GLOBAL_DATA\n !!USE M3UTILIO ! IOAPI parameters and declarations\n USE RXNS_DATA\n\n IMPLICIT NONE\n\nC..INCLUDES: \n \nC..ARGUMENTS: None\n\nC..PARAMETERS:\n INTEGER, PARAMETER :: GRPNO = 3\n\nC..EXTERNAL FUNCTIONS:\n INTEGER JUNIT ! gets unit no.\n INTEGER INDEX1 ! find position of string in list\n\nC..SAVED LOCAL VARIABLES: None\n \nC..SCRATCH LOCAL VARIABLES:\n CHARACTER( 16 ) :: PNAME = 'WR_GP3' ! Program name\n CHARACTER( 256 ) :: MSG ! Message text\n CHARACTER( 100 ) :: LINEIN ! Input line\n CHARACTER( CL ) :: SPOUT ! Ouput species\n CHARACTER( 16 ) :: SPEC \n CHARACTER( 256 ) :: FNAME ! Name of file to open\n CHARACTER( 72 ) :: CLINE ! Line of c's\n CHARACTER( 256 ) :: LINOUT\n CHARACTER( 150 ) :: RXOUT\n CHARACTER( 100 ) :: BLANK_LINE\n CHARACTER*( 5 ) :: RNUM ! Reaction number\n CHARACTER*( 6 ) :: COUT ! Output coefficient\n CHARACTER*( 1 ) :: SGN ! Coefficient sign\n \n\n INTEGER :: E1, E2 ! end pos of string\n INTEGER :: IND ! array index\n INTEGER :: IIN ! Unit no. of input file\n INTEGER :: IOUT ! Unit no. of output file\n INTEGER :: N, S, P, R ! Loop indices\n INTEGER :: NR ! No. of reactants\n INTEGER :: NPOS ! Reaction index\n INTEGER :: RPOS1 !\n INTEGER :: RPOS2 !\n INTEGER :: PPOS1 !\n INTEGER :: PPOS2 !\n\n LOGICAL :: LFIRST\n LOGICAL :: LRXN1\n LOGICAL :: LFIRST_R3 = .TRUE. \n\n REAL( 8 ) :: COEFF\n REAL( 8 ) :: RPAN\n REAL( 8 ) :: PPAN\n REAL( 8 ) :: RC2O3\n REAL( 8 ) :: PC2O3\n\n \nC**********************************************************************\n\n DO N = 1, 72\n CLINE( N : N ) = 'c'\n END DO\n\n DO N = 1, 100\n BLANK_LINE( N : N ) = ' '\n END DO\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Open ouput file and code template \nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n E1 = LEN_TRIM( OUTPATH )\n\n FNAME = OUTPATH( 1 : E1 ) // '/hrg3.F' \n\n IOUT = JUNIT()\n\n OPEN( UNIT = IOUT, FILE = FNAME, ERR = 9000 )\n\n\n IIN = JUNIT()\n\n E1 = LEN_TRIM( TMPLPATH )\n\n FNAME = TMPLPATH( 1 : E1 ) // '/hrg3.F' \n\n OPEN( UNIT = IIN, FILE = FNAME, ERR = 9000 )\n\n\n IF( LWR_COPY ) CALL WR_COPYRT( IOUT )\n\n IF( LWR_CVS_HDR ) CALL WR_CVSHDR( IOUT )\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Read, modify, and write 1st section of code from template\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n 100 CONTINUE\n\n READ( IIN, 92000, END = 1000 ) LINEIN\n\n IF( LINEIN( 1 : 2 ) .EQ. 'R1' ) THEN\n\n WRITE( IOUT, 93000 ) TRIM( MECHNAME )\n\n GO TO 100\n\n ELSEIF( LINEIN( 1 : 2 ) .EQ. 'R2' ) THEN\n\n WRITE( IOUT, 93020 ) CR_DATE( 1 : LEN_TRIM( CR_DATE ) )\n\n GO TO 100\n\n ELSEIF( LINEIN( 1 : 2 ) .EQ. 'R3' ) THEN\n\n IF( LFIRST_R3 ) THEN\n\n SPOUT = SPECIES( C2O3 )\n CALL LCASE( SPOUT )\n E1 = LEN_TRIM( SPOUT )\n LINOUT = ' REAL( 8 ) :: K8_8 ! K' //\n & SPOUT( 1 : E1 ) // '+' // SPOUT( 1 : E1 ) // ' * delta t'\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n \n SPOUT = SPECIES( PAN )\n CALL LCASE( SPOUT )\n E1 = LEN_TRIM( SPOUT )\n LINOUT = ' REAL( 8 ) :: R8_9 ! K' // SPOUT( 1 : E1 ) //\n & '-->'\n E1 = LEN_TRIM( LINOUT )\n SPOUT = SPECIES( C2O3 )\n CALL LCASE( SPOUT )\n E2 = LEN_TRIM( SPOUT )\n LINOUT = LINOUT( 1 : E1 ) // SPOUT( 1 : E2 ) //\n & ' * delta t'\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n \n\n SPOUT = SPECIES( C2O3 )\n CALL LCASE( SPOUT )\n E1 = LEN_TRIM( SPOUT )\n LINOUT = ' REAL( 8 ) :: R9_8 ! K' // SPOUT( 1 : E1 ) //\n & '+'\n E1 = LEN_TRIM( LINOUT )\n SPOUT = SPECIES( no2 )\n CALL LCASE( SPOUT )\n E2 = LEN_TRIM( SPOUT )\n LINOUT = LINOUT( 1 : E1 ) // SPOUT( 1 : E2 ) // '-->'\n E1 = LEN_TRIM( LINOUT )\n SPOUT = SPECIES( PAN )\n CALL LCASE( SPOUT )\n E2 = LEN_TRIM( SPOUT )\n LINOUT = LINOUT( 1 : E1 ) // SPOUT( 1 : E2 ) // \n & ' * [NO2] * delta t'\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n LFIRST_R3 = .FALSE.\n\n END IF\n\n\n\n GO TO 100\n\n \n ELSEIF( LINEIN( 1 : 2 ) .EQ. 'S1' ) THEN\n\n GO TO 1000\n\n ELSE\n\n WRITE( IOUT, 92000 ) LINEIN( 1 : LEN_TRIM( LINEIN ) )\n\n GO TO 100\n\n END IF\n\n 1000 CONTINUE\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc P8 production section\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc P8 includes C2O3 production from all reactions except PAN=C2O3 \nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n E1 = LEN_TRIM( SPECIES( C2O3 ) )\n E2 = LEN_TRIM( SPECIES( PAN ) )\n WRITE( IOUT, 92000 )\n WRITE( IOUT, 94000 ) SPECIES( C2O3 )( 1 : E1 ), SPECIES( PAN )( 1 : E2 )\n\nc..Determine the reactions to include & get coefficients for the prod terms\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n COEFF = 0.0D0\n CALL SUM_COEFF( RC2O3, 'R', C2O3, N )\n CALL SUM_COEFF( PC2O3, 'P', C2O3, N )\n\n IF( PC2O3 .LE. RC2O3 ) CYCLE ! Skip rxns with Pc2o3=0\n\n ! Skip PAN=C2O3 Rxn\n IF( IRR( N, 1 ) .EQ. PAN .AND. IRR( N, 4 ) .EQ. C2O3 .OR.\n & IRR( N, 1 ) .EQ. PAN .AND. IRR( N, 5 ) .EQ. C2O3 )\n & CYCLE \n\n \n\n COEFF = PC2O3 - RC2O3 ! Rxns w/ Pc2o3>0\n\nc..call routine to create output line & write it\n NPOS = 30\n RPOS1 = 0\n RPOS2 = 0\n PPOS1 = C2O3\n PPOS2 = 0\n CALL BLD_OUTLINE( 'RXRAT', 'P8', ' ', 0, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n END DO\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc L8 computation ( Loss of C2O3 )\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC L8 includes the following C2O3 loss terms:\nc a) all reactions in which C2O3 is lost except C2O3+C2O3\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n SPOUT = SPECIES( C2O3 )\n E1 = LEN_TRIM( SPOUT )\n WRITE( IOUT, 92000 )\n WRITE( IOUT, 94020 ) SPOUT( 1 : E1 ), SPOUT( 1 : E1 ), SPOUT( 1 : E1 )\n LRXN1 = .TRUE.\n DO N = 1, NRXNS \n\nc..Determine the rxn to include & get the coefficient for the loss term\n COEFF = 0.0D0\n CALL SUM_COEFF( RC2O3, 'R', C2O3, N )\n CALL SUM_COEFF( PC2O3, 'P', C2O3, N )\n\n IF( RC2O3 .LE. PC2O3 ) CYCLE ! Skip rxns w/ Lc2o3=0\n \n\n ! Skip C2O3+C2O3 rxn\n IF( IRR( N, 1 ) .EQ. C2O3 .AND. IRR( N, 2 ) .EQ. C2O3 ) CYCLE\n \n COEFF = RC2O3 - PC2O3\n\nc..call routine to create output line & write it\n NPOS = 20\n RPOS1 = C2O3\n RPOS2 = 0\n PPOS1 = 0\n PPOS2 = 0\n CALL BLD_OUTLINE( 'LFREQ', 'L8', 'C2O3', C2O3, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n END DO\n \n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc L9 computation ( Loss of PAN )\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc L9 includes all reactions in which PAN is lost\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n SPOUT = SPECIES( PAN )\n E1 = LEN_TRIM( SPOUT )\n WRITE( IOUT, 92000 )\n WRITE( IOUT, 94040 ) SPOUT( 1 : E1 )\n LRXN1 = .TRUE.\n DO N = 1, NRXNS \n\nc..Determine the rxn to include & get the coefficient for the loss term\n COEFF = 0.0D0\n CALL SUM_COEFF( RPAN, 'R', PAN, N )\n CALL SUM_COEFF( PPAN, 'P', PAN, N )\n\n IF( RPAN .LE. PPAN ) CYCLE ! Skip rxns w/ Lc2o3=0\n \n COEFF = RPAN - PPAN\n\nc..call routine to create output line & write it\n NPOS = 20\n RPOS1 = PAN\n RPOS2 = 0\n PPOS1 = 0\n PPOS2 = 0\n CALL BLD_OUTLINE( 'LFREQ', 'L9', 'PAN', PAN, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n END DO\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc R8_8, R8_9, and R9_8 terms\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n WRITE( IOUT, 92000 ) \n WRITE( IOUT, 94060 )\n\nc..K8,8 term ( C2O3+C2O3=)\n! DO N = 1, NRXNS\n! IF( IRR( N, 1 ) .EQ. C2O3 .AND. IRR( N, 2 ) .EQ. C2O3 ) THEN\n! WRITE( RNUM, '( I5 )' ) N\n! LINOUT = ' K8_8 = RKI( ' // RNUM // ' ) * DTC'\n! E1 = LEN_TRIM( LINOUT )\n! WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n! END IF\n! END DO\n IF( RXN_C2O3_SELF .GT. 0 )THEN\n WRITE( RNUM, '( I5 )' ) RXN_C2O3_SELF\n LINOUT = ' K8_8 = RKI( ' // RNUM // ' ) * DTC'\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n ELSE\n LINOUT = ' K8_8 = 0.0D0'\n WRITE( IOUT, 92000 ) TRIM( LINOUT ) \n END IF\n\nc..R8,9 term ( production of C2O3 fro PAN )\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n IF( IRR( N, 1 ) .EQ. PAN .AND. IRR( N, 4 ) .EQ. C2O3 .OR.\n & IRR( N, 1 ) .EQ. PAN .AND. IRR( N, 5 ) .EQ. C2O3 ) THEN\n WRITE( RNUM, '( I5 )' ) N\nc LINOUT = ' R8_9 = RKI( ' // RNUM // ' ) * DTC'\n IF( LRXN1 )THEN\n LINOUT = ' R8_9 = ( RKI( ' // RNUM // ' ) '\n LRXN1 = .FALSE.\n ELSE\n LINOUT = ' & + RKI( ' // RNUM // ' ) '\n END IF\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92040, ADVANCE= 'NO' ) LINOUT( 1 : E1 )\n END IF\n END DO\n WRITE( IOUT, 92060)\n\n\nc..R9,8 term ( production of PAN from C2O3 )\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n IF( ( IRR( N, 1 ) .EQ. C2O3 .AND. IRR( N, 2 ) .EQ. NO2 .AND.\n & IRR( N, 4 ) .EQ. PAN ) .OR.\n & ( IRR( N, 1 ) .EQ. NO2 .AND. IRR( N, 2 ) .EQ. C2O3 .AND.\n & IRR( N, 4 ) .EQ. PAN ) ) THEN\n WRITE( RNUM, '( I5 )' ) N\n SPOUT = SPECIES( NO2 )\n E2 = LEN_TRIM( SPOUT )\n IF( LRXN1 )THEN\n LINOUT = ' R9_8 = ( RKI( ' // RNUM // ' ) * YC( ' //\n & SPOUT( 1 : E2 ) // ' ) '\n LRXN1 = .FALSE.\n ELSE\n LINOUT = ' & + RKI( ' // RNUM // ' ) * YC( ' //\n & SPOUT( 1 : E2 ) // ' ) '\n END IF\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92040, ADVANCE= 'NO' ) LINOUT( 1 : E1 )\n END IF\n END DO\n WRITE( IOUT, 92060)\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Continue reading template section\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\nc..finish reading skipped section of template (i.e., code between S1 markers)\n 200 CONTINUE\n\n READ( IIN, 92000, END = 300 ) LINEIN\n\n IF( LINEIN( 1 : 2 ) .EQ. 'S1' ) GO TO 300\n\n GO TO 200\n\n 300 CONTINUE\n\n\n \n 400 CONTINUE\n\n READ( IIN, 92000, END = 2000 ) LINEIN\n\n IF( LINEIN( 1 : 2 ) .EQ. 'R4' ) THEN\n\n WRITE( IOUT, 95000) SPECIES( C2O3 )( 1 : LEN_TRIM( SPECIES( C2O3 ) ) ),\n & SPECIES( PAN )( 1 : LEN_TRIM( SPECIES( PAN ) ) )\n\n ELSEIF( LINEIN( 1 : 2 ) .EQ. 'R5' ) THEN\n\n WRITE( IOUT, 95020) SPECIES( C2O3 )( 1 : LEN_TRIM( SPECIES( C2O3 ) ) ),\n & SPECIES( PAN )( 1 : LEN_TRIM( SPECIES( PAN ) ) )\n\n\n ELSEIF( LINEIN( 1 : 2 ) .EQ. 'R6' ) THEN\n \n WRITE( IOUT, 95040) SPECIES( C2O3 )( 1 : LEN_TRIM( SPECIES( C2O3 ) ) )\n\n ELSEIF( LINEIN( 1 : 2 ) .EQ. 'R7' ) THEN\n \n WRITE( IOUT, 95060) SPECIES( PAN )( 1 : LEN_TRIM( SPECIES( PAN ) ) ),\n & SPECIES( PAN )( 1 : LEN_TRIM( SPECIES( PAN ) ) ),\n & SPECIES( C2O3 )( 1 : LEN_TRIM( SPECIES( C2O3 ) ) )\n\n ELSE\n\n WRITE( IOUT, 92000 ) LINEIN( 1 : LEN_TRIM( LINEIN ) )\n\n END IF\n\n GO TO 400\n \n2000 CONTINUE\n \n\n \n CLOSE( IIN )\n\n CLOSE( IOUT )\n\n NOUTFLS = NOUTFLS + 1\n OUTFLNAM( NOUTFLS ) = 'hrg3.F'\n\n RETURN \n\n 9000 MSG = 'ERROR: Could not open ' // FNAME( 1 : LEN_TRIM( FNAME ) )\n\n WRITE(LOGDEV,'(a)')TRIM( PNAME ) // ': ' // TRIM( MSG )\n STOP\n \n92000 FORMAT( A )\n92020 FORMAT( / )\n92040 FORMAT( /, A )\n92060 FORMAT(' ) * DTC ')\n\n93000 FORMAT( 'C PRECONDITIONS: For the ', A, ' mechanism' )\n93020 FORMAT( 'C REVISION HISTORY: Created by EBI solver program, ', A )\n\n94000 FORMAT( \n & 'c..Production of ', A, ' (except from ', A, ' )' )\n\n94020 FORMAT( \n & 'c..Loss frequency of ', A, ' ( not including ', A, \n & ' + ', A, ' )' )\n\n94040 FORMAT( \n & 'c..Loss frequency of ', A ) \n\n\n94060 FORMAT(\n & 'c..K8_8, R8_9, and R9_8 terms' )\n\n95000 FORMAT( \n & 'c..Solution of quadratic equation to get ', A, ' & ', A )\n\n95020 FORMAT( \n & ' C = CMN * ( YC0( ', A, ' ) + P8 * DTC ) + ',\n & ' R8_9 * YC0( ', A, ' )' )\n\n95040 FORMAT( \n & ' YCP( ', A, ' ) = MAX( Q / A , -C / Q )' )\n\n95060 FORMAT( \n & ' YCP( ', A, ' ) = ( YC0( ', A, ' ) + R9_8 * ',\n & 'YCP( ', A, ' ) ) / CMN' )\n\n END\n\n\n" }, { "path": "UTIL/create_ebi/src/wr_gp3.F_1st_mod", "content": " SUBROUTINE WR_GP3\n\nC**********************************************************************\nC\nC FUNCTION: Create source code for the hrgp3 subroutine in EBI\nC\nC PRECONDITIONS: None\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by Jerry Gipson, March, 2004\nC\nC**********************************************************************\n USE ENV_VARS\n USE GLOBAL_DATA\n\n IMPLICIT NONE\n\nC..INCLUDES: \n INCLUDE SUBST_IOPARMS ! IOAPI parameters\n INCLUDE SUBST_IODECL ! IOAPI declarations\n INCLUDE SUBST_GC_SPC ! Mechanism gas-phase species\n INCLUDE SUBST_RXCMMN ! Mechanism data\n \nC..ARGUMENTS: None\n\nC..PARAMETERS:\n INTEGER, PARAMETER :: GRPNO = 3\n\nC..EXTERNAL FUNCTIONS:\n INTEGER JUNIT ! gets unit no.\n INTEGER INDEX1 ! find position of string in list\n\nC..SAVED LOCAL VARIABLES: None\n \nC..SCRATCH LOCAL VARIABLES:\n CHARACTER( 16 ) :: PNAME = 'WR_GP3' ! Program name\n CHARACTER( 256 ) :: MSG ! Message text\n CHARACTER( 100 ) :: LINEIN ! Input line\n CHARACTER( CL ) :: SPOUT ! Ouput species\n CHARACTER( 16 ) :: SPEC \n CHARACTER( 256 ) :: FNAME ! Name of file to open\n CHARACTER( 72 ) :: CLINE ! Line of c's\n CHARACTER( 100 ) :: LINOUT\n CHARACTER( 100 ) :: RXOUT\n CHARACTER( 100 ) :: BLANK_LINE\n CHARACTER*( 3 ) :: RNUM ! Reaction number\n CHARACTER*( 6 ) :: COUT ! Output coefficient\n CHARACTER*( 1 ) :: SGN ! Coefficient sign\n \n\n INTEGER :: E1, E2 ! end pos of string\n INTEGER :: IND ! array index\n INTEGER :: IIN ! Unit no. of input file\n INTEGER :: IOUT ! Unit no. of output file\n INTEGER :: LOGDEV ! Unit no. of logdev\n INTEGER :: N, S, P, R ! Loop indices\n INTEGER :: NR ! No. of reactants\n INTEGER :: NPOS ! Reaction index\n INTEGER :: RPOS1 !\n INTEGER :: RPOS2 !\n INTEGER :: PPOS1 !\n INTEGER :: PPOS2 !\n\n LOGICAL :: LFIRST\n LOGICAL :: LRXN1\n LOGICAL :: LFIRST_R3 = .TRUE. \n\n REAL :: COEFF\n REAL :: RPAN\n REAL :: PPAN\n REAL :: RC2O3\n REAL :: PC2O3\n\n \nC**********************************************************************\n\n DO N = 1, 72\n CLINE( N : N ) = 'c'\n ENDDO\n\n DO N = 1, 100\n BLANK_LINE( N : N ) = ' '\n ENDDO\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Open ouput file and code template \nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n LOGDEV = INIT3()\n\n E1 = LEN_TRIM( OUTPATH )\n\n FNAME = OUTPATH( 1 : E1 ) // '/hrg3.F' \n\n IOUT = JUNIT()\n\n OPEN( UNIT = IOUT, FILE = FNAME, ERR = 9000 )\n\n\n IIN = JUNIT()\n\n E1 = LEN_TRIM( TMPLPATH )\n\n FNAME = TMPLPATH( 1 : E1 ) // '/hrg3.F' \n\n OPEN( UNIT = IIN, FILE = FNAME, ERR = 9000 )\n\n\n IF( LWR_COPY ) CALL WR_COPYRT( IOUT )\n\n IF( LWR_CVS_HDR ) CALL WR_CVSHDR( IOUT )\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Read, modify, and write 1st section of code from template\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n 100 CONTINUE\n\n READ( IIN, 92000, END = 1000 ) LINEIN\n\n IF( LINEIN( 1 : 2 ) .EQ. 'R1' ) THEN\n\n WRITE( IOUT, 93000 ) GC_TAG( 1 : LEN_TRIM( GC_TAG ) )\n\n GO TO 100\n\n ELSEIF( LINEIN( 1 : 2 ) .EQ. 'R2' ) THEN\n\n WRITE( IOUT, 93020 ) CR_DATE( 1 : LEN_TRIM( CR_DATE ) )\n\n GO TO 100\n\n ELSEIF( LINEIN( 1 : 2 ) .EQ. 'R3' ) THEN\n\n IF( LFIRST_R3 ) THEN\n\n SPOUT = GC_SPC( C2O3 )\n CALL LCASE( SPOUT )\n E1 = LEN_TRIM( SPOUT )\n LINOUT = ' REAL K8_8 ! K' //\n & SPOUT( 1 : E1 ) // '+' // SPOUT( 1 : E1 ) // ' * delta t'\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n \n SPOUT = GC_SPC( PAN )\n CALL LCASE( SPOUT )\n E1 = LEN_TRIM( SPOUT )\n LINOUT = ' REAL R8_9 ! K' // SPOUT( 1 : E1 ) //\n & '-->'\n E1 = LEN_TRIM( LINOUT )\n SPOUT = GC_SPC( C2O3 )\n CALL LCASE( SPOUT )\n E2 = LEN_TRIM( SPOUT )\n LINOUT = LINOUT( 1 : E1 ) // SPOUT( 1 : E2 ) //\n & ' * delta t'\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n \n\n SPOUT = GC_SPC( C2O3 )\n CALL LCASE( SPOUT )\n E1 = LEN_TRIM( SPOUT )\n LINOUT = ' REAL R9_8 ! K' // SPOUT( 1 : E1 ) //\n & '+'\n E1 = LEN_TRIM( LINOUT )\n SPOUT = GC_SPC( no2 )\n CALL LCASE( SPOUT )\n E2 = LEN_TRIM( SPOUT )\n LINOUT = LINOUT( 1 : E1 ) // SPOUT( 1 : E2 ) // '-->'\n E1 = LEN_TRIM( LINOUT )\n SPOUT = GC_SPC( PAN )\n CALL LCASE( SPOUT )\n E2 = LEN_TRIM( SPOUT )\n LINOUT = LINOUT( 1 : E1 ) // SPOUT( 1 : E2 ) // \n & ' * [NO2] * delta t'\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n LFIRST_R3 = .FALSE.\n\n ENDIF\n\n\n\n GO TO 100\n\n \n ELSEIF( LINEIN( 1 : 2 ) .EQ. 'S1' ) THEN\n\n GO TO 1000\n\n ELSE\n\n WRITE( IOUT, 92000 ) LINEIN( 1 : LEN_TRIM( LINEIN ) )\n\n GO TO 100\n\n ENDIF\n\n 1000 CONTINUE\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc P8 production section\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc P8 includes C2O3 production from all reactions except PAN=C2O3 \nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n E1 = LEN_TRIM( GC_SPC( C2O3 ) )\n E2 = LEN_TRIM( GC_SPC( PAN ) )\n WRITE( IOUT, 92000 )\n WRITE( IOUT, 94000 ) GC_SPC( C2O3 )( 1 : E1 ), GC_SPC( PAN )( 1 : E2 )\n\nc..Determine the reactions to include & get coefficients for the prod terms\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n COEFF = 0.0\n CALL SUM_COEFF( RC2O3, 'R', C2O3, N )\n CALL SUM_COEFF( PC2O3, 'P', C2O3, N )\n\n IF( PC2O3 .LE. RC2O3 ) CYCLE ! Skip rxns with Pc2o3=0\n\n ! Skip PAN=C2O3 Rxn\n IF( IRR( N, 1 ) .EQ. PAN .AND. IRR( N, 4 ) .EQ. C2O3 .OR.\n & IRR( N, 1 ) .EQ. PAN .AND. IRR( N, 5 ) .EQ. C2O3 )\n & CYCLE \n\n \n\n COEFF = PC2O3 - RC2O3 ! Rxns w/ Pc2o3>0\n\nc..call routine to create output line & write it\n NPOS = 30\n RPOS1 = 0\n RPOS2 = 0\n PPOS1 = C2O3\n PPOS2 = 0\n CALL BLD_OUTLINE( 'RXRAT', 'P8', ' ', 0, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n ENDDO\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc L8 computation ( Loss of C2O3 )\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC L8 includes the following C2O3 loss terms:\nc a) all reactions in which C2O3 is lost except C2O3+C2O3\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n SPOUT = GC_SPC( C2O3 )\n E1 = LEN_TRIM( SPOUT )\n WRITE( IOUT, 92000 )\n WRITE( IOUT, 94020 ) SPOUT( 1 : E1 ), SPOUT( 1 : E1 ), SPOUT( 1 : E1 )\n LRXN1 = .TRUE.\n DO N = 1, NRXNS \n\nc..Determine the rxn to include & get the coefficient for the loss term\n COEFF = 0.0\n CALL SUM_COEFF( RC2O3, 'R', C2O3, N )\n CALL SUM_COEFF( PC2O3, 'P', C2O3, N )\n\n IF( RC2O3 .LE. PC2O3 ) CYCLE ! Skip rxns w/ Lc2o3=0\n \n\n ! Skip C2O3+C2O3 rxn\n IF( IRR( N, 1 ) .EQ. C2O3 .AND. IRR( N, 2 ) .EQ. C2O3 ) CYCLE\n \n COEFF = RC2O3 - PC2O3\n\nc..call routine to create output line & write it\n NPOS = 20\n RPOS1 = C2O3\n RPOS2 = 0\n PPOS1 = 0\n PPOS2 = 0\n CALL BLD_OUTLINE( 'LFREQ', 'L8', 'C2O3', C2O3, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n ENDDO\n \n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc L9 computation ( Loss of PAN )\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc L9 includes all reactions in which PAN is lost\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n SPOUT = GC_SPC( PAN )\n E1 = LEN_TRIM( SPOUT )\n WRITE( IOUT, 92000 )\n WRITE( IOUT, 94040 ) SPOUT( 1 : E1 )\n LRXN1 = .TRUE.\n DO N = 1, NRXNS \n\nc..Determine the rxn to include & get the coefficient for the loss term\n COEFF = 0.0\n CALL SUM_COEFF( RPAN, 'R', PAN, N )\n CALL SUM_COEFF( PPAN, 'P', PAN, N )\n\n IF( RPAN .LE. PPAN ) CYCLE ! Skip rxns w/ Lc2o3=0\n \n COEFF = RPAN - PPAN\n\nc..call routine to create output line & write it\n NPOS = 20\n RPOS1 = PAN\n RPOS2 = 0\n PPOS1 = 0\n PPOS2 = 0\n CALL BLD_OUTLINE( 'LFREQ', 'L9', 'PAN', PAN, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n ENDDO\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc R8_8, R8_9, and R9_8 terms\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n WRITE( IOUT, 92000 ) \n WRITE( IOUT, 94060 )\n\nc..K8,8 term ( C2O3+C2O3=)\n DO N = 1, NRXNS\n IF( IRR( N, 1 ) .EQ. C2O3 .AND. IRR( N, 2 ) .EQ. C2O3 ) THEN\n WRITE( RNUM, '( I3 )' ) N\n LINOUT = ' K8_8 = RKI( ' // RNUM // ' ) * DTC'\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n ENDIF\n ENDDO\n\nc..R8,9 term ( production of C2O3 fro PAN )\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n IF( IRR( N, 1 ) .EQ. PAN .AND. IRR( N, 4 ) .EQ. C2O3 .OR.\n & IRR( N, 1 ) .EQ. PAN .AND. IRR( N, 5 ) .EQ. C2O3 ) THEN\n WRITE( RNUM, '( I3 )' ) N\nc LINOUT = ' R8_9 = RKI( ' // RNUM // ' ) * DTC'\n IF( LRXN1 )THEN\n LINOUT = ' R8_9 = RKI( ' // RNUM // ' ) '\n LRXN1 = .FALSE.\n ELSE\n LINOUT = ' & + RKI( ' // RNUM // ' ) '\n ENDIF\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n ENDIF\n ENDDO\n\n\nc..R9,8 term ( production of PAN from C2O3 )\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n IF( ( IRR( N, 1 ) .EQ. C2O3 .AND. IRR( N, 2 ) .EQ. NO2 .AND.\n & IRR( N, 4 ) .EQ. PAN ) .OR.\n & ( IRR( N, 1 ) .EQ. NO2 .AND. IRR( N, 2 ) .EQ. C2O3 .AND.\n & IRR( N, 4 ) .EQ. PAN ) ) THEN\n WRITE( RNUM, '( I3 )' ) N\n SPOUT = GC_SPC( NO2 )\n E2 = LEN_TRIM( SPOUT )\n IF( LRXN1 )THEN\n LINOUT = ' R9_8 = RKI( ' // RNUM // ' ) * YC( ' //\n & SPOUT( 1 : E2 ) // ' ) '\n LRXN1 = .FALSE.\n ELSE\n LINOUT = ' & + RKI( ' // RNUM // ' ) * YC( ' //\n & SPOUT( 1 : E2 ) // ' ) '\n ENDIF\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n ENDIF\n ENDDO\n\nc..update R8,9 and R9,8 terms with the time step\n\nC WRITE( IOUT, 92020)\n\nC LINOUT = ' R8_9 = R8_9 * DTC '\nC E1 = LEN_TRIM( LINOUT )\nC WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\nC LINOUT = ' R9_8 = R9_8 * DTC '\nC E1 = LEN_TRIM( LINOUT )\nC WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Continue reading template section\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\nc..finish reading skipped section of template (i.e., code between S1 markers)\n 200 CONTINUE\n\n READ( IIN, 92000, END = 300 ) LINEIN\n\n IF( LINEIN( 1 : 2 ) .EQ. 'S1' ) GO TO 300\n\n GO TO 200\n\n 300 CONTINUE\n\n\n \n 400 CONTINUE\n\n READ( IIN, 92000, END = 2000 ) LINEIN\n\n IF( LINEIN( 1 : 2 ) .EQ. 'R4' ) THEN\n\n WRITE( IOUT, 95000) GC_SPC( C2O3 )( 1 : LEN_TRIM( GC_SPC( C2O3 ) ) ),\n & GC_SPC( PAN )( 1 : LEN_TRIM( GC_SPC( PAN ) ) )\n\n ELSEIF( LINEIN( 1 : 2 ) .EQ. 'R5' ) THEN\n\n WRITE( IOUT, 95020) GC_SPC( C2O3 )( 1 : LEN_TRIM( GC_SPC( C2O3 ) ) ),\n & GC_SPC( PAN )( 1 : LEN_TRIM( GC_SPC( PAN ) ) )\n\n\n ELSEIF( LINEIN( 1 : 2 ) .EQ. 'R6' ) THEN\n \n WRITE( IOUT, 95040) GC_SPC( C2O3 )( 1 : LEN_TRIM( GC_SPC( C2O3 ) ) )\n\n ELSEIF( LINEIN( 1 : 2 ) .EQ. 'R7' ) THEN\n \n WRITE( IOUT, 95060) GC_SPC( PAN )( 1 : LEN_TRIM( GC_SPC( PAN ) ) ),\n & GC_SPC( PAN )( 1 : LEN_TRIM( GC_SPC( PAN ) ) ),\n & GC_SPC( C2O3 )( 1 : LEN_TRIM( GC_SPC( C2O3 ) ) )\n\n ELSE\n\n WRITE( IOUT, 92000 ) LINEIN( 1 : LEN_TRIM( LINEIN ) )\n\n ENDIF\n\n GO TO 400\n \n2000 CONTINUE\n \n\n \n CLOSE( IIN )\n\n CLOSE( IOUT )\n\n RETURN \n\n 9000 MSG = 'ERROR: Could not open ' // FNAME( 1 : LEN_TRIM( FNAME ) )\n\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT2 )\n \n92000 FORMAT( A )\n92020 FORMAT( / )\n\n93000 FORMAT( 'C PRECONDITIONS: For the ', A, ' family of mechanisms' )\n93020 FORMAT( 'C REVISION HISTORY: Created by EBI solver program, ', A )\n\n94000 FORMAT( \n & 'c..Production of ', A, ' (except from ', A, ' )' )\n\n94020 FORMAT( \n & 'c..Loss frequency of ', A, ' ( not including ', A, \n & ' + ', A, ' )' )\n\n94040 FORMAT( \n & 'c..Loss frequency of ', A ) \n\n\n94060 FORMAT(\n & 'c..K8_8, R8_9, and R9_8 terms' )\n\n95000 FORMAT( \n & 'c..Solution of quadratic equation to get ', A, ' & ', A )\n\n95020 FORMAT( \n & ' C = CMN * ( YC0( ', A, ' ) + P8 * DTC ) + ',\n & '(R8_9*DTC) * YC0( ', A, ' )' )\n\n95040 FORMAT( \n & ' YCP( ', A, ' ) = MAX( Q / A , -C / Q )' )\n\n95060 FORMAT( \n & ' YCP( ', A, ' ) = ( YC0( ', A, ' ) + (R9_8*DTC) * ',\n & 'YCP( ', A, ' ) ) / CMN' )\n\n END\n\n\n" }, { "path": "UTIL/create_ebi/src/wr_gp4.F", "content": " SUBROUTINE WR_GP4\n\nC**********************************************************************\nC\nC FUNCTION: Create source code for the hrg4 subroutine in EBI\nC\nC PRECONDITIONS: None\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by Jerry Gipson, March, 2004\nC\nC**********************************************************************\n USE ENV_VARS\n USE GLOBAL_DATA\n !!USE M3UTILIO ! IOAPI parameters and declarations\n USE RXNS_DATA\n\n IMPLICIT NONE\n\nC..INCLUDES: \n\n \nC..ARGUMENTS: None\n\nC..PARAMETERS:\n INTEGER, PARAMETER :: GRPNO = 4\n\nC..EXTERNAL FUNCTIONS:\n INTEGER JUNIT ! gets unit no.\n! INTEGER NAME_INDEX ! find position of string in list\n\nC..SAVED LOCAL VARIABLES: None\n \nC..SCRATCH LOCAL VARIABLES:\n CHARACTER( 16 ) :: PNAME = 'WR_GP4' ! Program name\n CHARACTER( 256 ) :: MSG ! Message text\n CHARACTER( 100 ) :: LINEIN ! Input line\n CHARACTER( CL ) :: SPOUT ! Ouput species\n CHARACTER( 16 ) :: SPEC \n CHARACTER( 256 ) :: FNAME ! Name of file to open\n CHARACTER( 72 ) :: CLINE ! Line of c's\n CHARACTER( 256 ) :: LINOUT\n CHARACTER( 150 ) :: RXOUT\n CHARACTER( 100 ) :: BLANK_LINE\n CHARACTER*( 5 ) :: RNUM ! Reaction number\n CHARACTER*( 6 ) :: COUT ! Output coefficient\n CHARACTER*( 1 ) :: SGN ! Coefficient sign\n \n\n INTEGER :: E1, E2 ! end pos of string\n INTEGER :: IND ! array index\n INTEGER :: IIN ! Unit no. of input file\n INTEGER :: IOUT ! Unit no. of output file\n INTEGER :: N, S, P, R ! Loop indices\n INTEGER :: NR ! No. of reactants\n INTEGER :: NPOS ! Reaction index\n INTEGER :: RPOS1 !\n INTEGER :: RPOS2 !\n INTEGER :: PPOS1 !\n INTEGER :: PPOS2 !\n\n LOGICAL :: LFIRST\n LOGICAL :: LRXN1\n LOGICAL :: LFIRST_R3 = .TRUE. \n\n LOGICAL :: LQUAD = .FALSE. \n\n REAL( 8 ) :: COEFF\n REAL( 8 ) :: RNO3\n REAL( 8 ) :: PNO3\n REAL( 8 ) :: RN2O5\n REAL( 8 ) :: PN2O5\n\n \nC**********************************************************************\n\n DO N = 1, 72\n CLINE( N : N ) = 'c'\n END DO\n\n DO N = 1, 100\n BLANK_LINE( N : N ) = ' '\n END DO\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Open ouput file and code template \nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n E1 = LEN_TRIM( OUTPATH )\n\n FNAME = OUTPATH( 1 : E1 ) // '/hrg4.F' \n\n IOUT = JUNIT()\n\n OPEN( UNIT = IOUT, FILE = FNAME, ERR = 9000 )\n\n\n IIN = JUNIT()\n\n E1 = LEN_TRIM( TMPLPATH )\n\n FNAME = TMPLPATH( 1 : E1 ) // '/hrg4.F' \n\n OPEN( UNIT = IIN, FILE = FNAME, ERR = 9000 )\n\n\n IF( LWR_COPY ) CALL WR_COPYRT( IOUT )\n\n IF( LWR_CVS_HDR ) CALL WR_CVSHDR( IOUT )\n\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Determine if there is a NO3+NO3 reaction ( ==> quadratic solution)\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n LQUAD = .FALSE.\n DO N = 1, NRXNS\n IF( IRR( N, 1 ) .EQ. NO3 .AND. IRR( N, 2 ) .EQ. NO3 )\n & LQUAD = .TRUE.\n END DO\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Read, modify, and write 1st section of code from template\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n 100 CONTINUE\n\n READ( IIN, 92000, END = 1000 ) LINEIN\n\n IF( LINEIN( 1 : 2 ) .EQ. 'R1' ) THEN\n\n WRITE( IOUT, 93000 ) TRIM( MECHNAME )\n\n GO TO 100\n\n ELSEIF( LINEIN( 1 : 2 ) .EQ. 'R2' ) THEN\n\n WRITE( IOUT, 93020 ) CR_DATE( 1 : LEN_TRIM( CR_DATE ) )\n\n GO TO 100\n\n ELSEIF( LINEIN( 1 : 2 ) .EQ. 'R3' ) THEN\n\n E1 = LEN_TRIM( SPECIES( NO3 ) )\n E2 = LEN_TRIM( SPECIES( N2O5 ) )\n IF( LFIRST_R3 ) THEN\n\n IF( LQUAD ) THEN\n\n WRITE( IOUT, 93500 ) SPECIES( NO3 )( 1 : E1 ),\n & SPECIES( N2O5 )( 1 : E2 ),\n & SPECIES( NO3 )( 1 : E1 )\n\n SPOUT = SPECIES( NO3 )\n CALL LCASE( SPOUT )\n E1 = LEN_TRIM( SPOUT )\n LINOUT = ' REAL( 8 ) :: K15_15 ! K' //\n & SPOUT( 1 : E1 ) // '+' // SPOUT( 1 : E1 ) // ' * delta t'\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n ELSE\n\n WRITE( IOUT, 93520 ) SPECIES( NO3 )( 1 : E1 ),\n & SPECIES( N2O5 )( 1 : E2 ),\n & SPECIES( NO3 )( 1 : E1 )\n\n END IF\n \n SPOUT = SPECIES( N2O5 )\n CALL LCASE( SPOUT )\n E1 = LEN_TRIM( SPOUT )\n LINOUT = ' REAL( 8 ) :: R15_16 ! K' // SPOUT( 1 : E1 ) //\n & '-->'\n E1 = LEN_TRIM( LINOUT )\n SPOUT = SPECIES( NO3 )\n CALL LCASE( SPOUT )\n E2 = LEN_TRIM( SPOUT )\n LINOUT = LINOUT( 1 : E1 ) // SPOUT( 1 : E2 ) //\n & ' * delta t'\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n \n\n SPOUT = SPECIES( NO3 )\n CALL LCASE( SPOUT )\n E2 = LEN_TRIM( SPOUT )\n LINOUT = ' REAL( 8 ) :: R16_15 ! K' // SPOUT( 1 : E2 ) //\n & '+'\n E1 = LEN_TRIM( LINOUT )\n SPOUT = SPECIES( NO2 )\n CALL LCASE( SPOUT )\n E2 = LEN_TRIM( SPOUT )\n LINOUT = LINOUT( 1 : E1 ) // SPOUT( 1 : E2 ) // '-->'\n E1 = LEN_TRIM( LINOUT )\n SPOUT = SPECIES( N2O5 )\n CALL LCASE( SPOUT )\n E2 = LEN_TRIM( SPOUT )\n LINOUT = LINOUT( 1 : E1 ) // SPOUT( 1 : E2 ) // \n & '[NO2] * delta t'\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n LFIRST_R3 = .FALSE.\n\n END IF\n\n GO TO 100\n\n \n ELSEIF( LINEIN( 1 : 2 ) .EQ. 'S1' ) THEN\n\n GO TO 1000\n\n ELSE\n\n WRITE( IOUT, 92000 ) LINEIN( 1 : LEN_TRIM( LINEIN ) )\n\n GO TO 100\n\n END IF\n\n 1000 CONTINUE\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc P15 production section\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc P15 includes NO3 production from all reactions except N2O5=NO2+NO3 \nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n E1 = LEN_TRIM( SPECIES( NO3 ) )\n E2 = LEN_TRIM( SPECIES( N2O5 ) )\n WRITE( IOUT, 92000 )\n WRITE( IOUT, 94000 ) SPECIES( NO3 )( 1 : E1 ), SPECIES( N2O5 )( 1 : E2 )\n\nc..Determine the reactions to include & get coefficients for the prod terms\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n COEFF = 0.0D0\n CALL SUM_COEFF( RN2O5, 'R', N2O5, N )\n CALL SUM_COEFF( RNO3, 'R', NO3, N )\n CALL SUM_COEFF( PNO3, 'P', NO3, N )\n\n IF( PNO3 .LE. RNO3 ) CYCLE ! Skip rxns with Pno3=0\n\n ! Skip N2O5=NO3+NO2 Rxn\n IF( IRR( N, 1 ) .EQ. N2O5 .AND. IRR( N, 4 ) .EQ. NO3 .OR.\n & IRR( N, 1 ) .EQ. N2O5 .AND. IRR( N, 5 ) .EQ. NO3 )\n & CYCLE \n\n COEFF = PNO3 - RNO3 ! Rxns w/ Pc2o3>0\n\nc..call routine to create output line & write it\n NPOS = 30\n RPOS1 = 0\n RPOS2 = 0\n PPOS1 = NO3\n PPOS2 = 0\n CALL BLD_OUTLINE( 'RXRAT', 'P15', ' ', 0, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n END DO\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc L15 computation ( Loss of NO3 )\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC L15 includes the following NO3 loss terms:\nc a) all reactions in which NO3 is lost except NO3+NO3 if present\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n SPOUT = SPECIES( NO3 )\n E1 = LEN_TRIM( SPOUT )\n WRITE( IOUT, 92000 )\n WRITE( IOUT, 94020 ) SPOUT( 1 : E1 ), SPOUT( 1 : E1 ), SPOUT( 1 : E1 )\n LRXN1 = .TRUE.\n DO N = 1, NRXNS \n\nc..Determine the rxn to include & get the coefficient for the loss term\n COEFF = 0.0D0\n CALL SUM_COEFF( RNO3, 'R', NO3, N )\n CALL SUM_COEFF( PNO3, 'P', NO3, N )\n\n IF( PNO3 .GE. RNO3 ) CYCLE ! Skip rxns w/ Lno3=0\n \n\n ! Skip NO3+NO3 rxn\n IF( IRR( N, 1 ) .EQ. NO3 .AND. IRR( N, 2 ) .EQ. NO3 ) CYCLE\n \n COEFF = RNO3 - PNO3\n\nc..call routine to create output line & write it\n NPOS = 20\n RPOS1 = NO3\n RPOS2 = 0\n PPOS1 = 0\n PPOS2 = 0\n CALL BLD_OUTLINE( 'LFREQ', 'L15', 'NO3', NO3, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n END DO\n \n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc L16 computation ( Loss of N2O5 )\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc L15 includes all reactions in which N2O5 is lost\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n SPOUT = SPECIES( N2O5 )\n E1 = LEN_TRIM( SPOUT )\n WRITE( IOUT, 92000 )\n WRITE( IOUT, 94040 ) SPOUT( 1 : E1 )\n LRXN1 = .TRUE.\n DO N = 1, NRXNS \n\nc..Determine the rxn to include & get the coefficient for the loss term\n COEFF = 0.0D0\n CALL SUM_COEFF( RN2O5, 'R', N2O5, N )\n CALL SUM_COEFF( PN2O5, 'P', N2O5, N )\n\n IF( RN2O5 .LE. PN2O5 ) CYCLE ! Skip rxns w/ Ln2o5=0\n \n COEFF = RN2O5 - PN2O5\n\nc..call routine to create output line & write it\n NPOS = 20\n RPOS1 = N2O5\n RPOS2 = 0\n PPOS1 = 0\n PPOS2 = 0\n CALL BLD_OUTLINE( 'LFREQ', 'L16', 'N2O5', N2O5, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n END DO\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc k15_15, R15_16, and R16_15 terms\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\nc..Header & K15_15 term if present ( NO3+NO3=)\n IF( LQUAD ) THEN\n\n WRITE( IOUT, 92000 ) \n WRITE( IOUT, 94060 )\n\n DO N = 1, NRXNS\n IF( IRR( N, 1 ) .EQ. NO3 .AND. IRR( N, 2 ) .EQ. NO3 ) THEN\n WRITE( RNUM, '( I5 )' ) N\n LINOUT = ' K15_15 = RKI( ' // RNUM // ' ) * DTC'\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n END IF\n END DO\n\n ELSE\n\n WRITE( IOUT, 92000 ) \n WRITE( IOUT, 94080 )\n\n\n END IF\n\nc..R15_16 term ( production of NO3 from N2O5 )\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n IF( IRR( N, 1 ) .EQ. N2O5 .AND. IRR( N, 4 ) .EQ. NO3 .OR.\n & IRR( N, 1 ) .EQ. N2O5 .AND. IRR( N, 5 ) .EQ. NO3 ) THEN\n WRITE( RNUM, '( I5 )' ) N\n IF( LRXN1 )THEN\n LINOUT = ' R15_16 = ( RKI( ' // RNUM // ' ) '\n LRXN1 = .FALSE.\n ELSE\n LINOUT = ' & + RKI( ' // RNUM // ' ) ' \n END IF\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92040, ADVANCE = 'NO' ) LINOUT( 1 : E1 )\n END IF\n END DO\n WRITE( IOUT, 92060)\n WRITE( IOUT, 92020)\n\nc..R16_15 term ( production of N2O5 from NO3 )\n DO N = 1, NRXNS\n IF( ( IRR( N, 1 ) .EQ. NO3 .AND. IRR( N, 4 ) .EQ. N2O5 ) .OR.\n & ( IRR( N, 2 ) .EQ. NO3 .AND. IRR( N, 4 ) .EQ. N2O5 ) ) THEN\n WRITE( RNUM, '( I5 )' ) N\n \n LINOUT = ' R16_15 = RKI( ' // RNUM // \n & ' ) * YCP( NO2 ) * DTC'\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n END IF\n END DO\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Write the remaining code\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF( LQUAD ) THEN\n\n LINOUT = 'c..Solution of quadratic equation to get ' //\n & SPECIES( NO3 )( 1 : LEN_TRIM( SPECIES( NO3 ) ) ) // ' & ' //\n & SPECIES( N2O5 )( 1 : LEN_TRIM( SPECIES( N2O5 ) ) )\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n WRITE( IOUT, 95000) SPECIES( NO3 )( 1 : LEN_TRIM( SPECIES( NO3 ) ) ),\n & SPECIES( N2O5 )( 1 : LEN_TRIM( SPECIES( N2O5 ) ) )\n\n WRITE( IOUT, 95020) \n\n WRITE( IOUT, 95040) SPECIES( NO3 )( 1 : LEN_TRIM( SPECIES( NO3 ) ) )\n\n WRITE( IOUT, 95060) SPECIES( N2O5 )( 1 : LEN_TRIM( SPECIES( N2O5 ) ) ),\n & SPECIES( N2O5 )( 1 : LEN_TRIM( SPECIES( N2O5 ) ) ),\n & SPECIES( NO3 )( 1 : LEN_TRIM( SPECIES( NO3 ) ) )\n\n\n ELSE\n\n WRITE( IOUT, 96000) \n\n WRITE( IOUT, 96020) SPECIES( NO3 )( 1 : LEN_TRIM( SPECIES( NO3 ) ) )\n\n WRITE( IOUT, 96040) SPECIES( N2O5 )( 1 : LEN_TRIM( SPECIES( N2O5 ) ) ),\n & SPECIES( N2O5 )( 1 : LEN_TRIM( SPECIES( N2O5 ) ) )\n\n WRITE( IOUT, 96060) SPECIES( NO3 )( 1 : LEN_TRIM( SPECIES( NO3 ) ) ),\n & SPECIES( N2O5 )( 1 : LEN_TRIM( SPECIES( N2O5 ) ) )\n\n\n END IF\n \n WRITE( IOUT, 97000)\n \n CLOSE( IIN )\n\n CLOSE( IOUT )\n\n NOUTFLS = NOUTFLS + 1\n OUTFLNAM( NOUTFLS ) = 'hrg4.F'\n\n RETURN \n\n 9000 MSG = 'ERROR: Could not open ' // FNAME( 1 : LEN_TRIM( FNAME ) )\n\n WRITE(LOGDEV,'(a)')TRIM( PNAME ) // ': ' // TRIM( MSG )\n STOP\n \n92000 FORMAT( A )\n92020 FORMAT( / )\n92040 FORMAT( /, A )\n92060 FORMAT(' ) * DTC ')\n\n93000 FORMAT( 'C PRECONDITIONS: For the ', A, ' mechanism' )\n93020 FORMAT( 'C REVISION HISTORY: Created by EBI solver program, ', A )\n\n93500 FORMAT( \n & ' REAL( 8 ) :: A, B, C, Q ! Quadratic equation terms'/\n & ' REAL( 8 ) :: CMN ! Temp scalar'/\n & ' REAL( 8 ) :: L15 ! Loss of ', A /\n & ' REAL( 8 ) :: L16 ! Loss of ', A /\n & ' REAL( 8 ) :: P15 ! Production of ', A )\n\n93520 FORMAT( \n & ' REAL( 8 ) :: A1, A2, A3 ! Temp scalars'/\n & ' REAL( 8 ) :: ATOP3 ! Temp scalar'/\n & ' REAL( 8 ) :: ATOP5 ! Temp scalar'/\n & ' REAL( 8 ) :: BOTT ! Temp scalar'/\n & ' REAL( 8 ) :: L15 ! Loss of ', A /\n & ' REAL( 8 ) :: L16 ! Loss of ', A /\n & ' REAL( 8 ) :: P15 ! Production of ', A )\n\n\n94000 FORMAT( \n & 'c..Production of ', A, ' (except from ', A, ' )' )\n\n94020 FORMAT( \n & 'c..Loss frequency of ', A, ' ( except ', A, \n & ' + ', A, ' if present )' )\n\n94040 FORMAT( \n & 'c..Loss frequency of ', A ) \n\n\n94060 FORMAT(\n & 'c..K15_15, R15_16, and R16_15 terms' )\n\n\n94080 FORMAT(\n & 'c..R15_16 and R16_15 terms' )\n\n95000 FORMAT( \n & ' CMN = 1.0D0 + L16 * DTC' /\n & ' A = 2.0D0 * K15_15 * CMN' /\n & ' B = CMN * ( 1.0D0 + L15 * DTC ) - R15_16 * R16_15' /\n & ' C = CMN * ( YC0( ', A, ' ) + P15 * DTC ) + ',\n & ' R15_16 * YC0( ', A, ' )' )\n\n95020 FORMAT(/ \n & ' Q = -0.5D0 * ( B + SIGN( 1.0D0, B ) * ',\n & 'SQRT( B * B + 4.0D0 * A * C ) )' )\n\n95040 FORMAT( \n & ' YCP( ', A, ' ) = MAX( Q / A , -C / Q )' )\n\n95060 FORMAT( \n & ' YCP( ', A, ' ) = ( YC0( ', A, ' ) + R16_15 * ',\n & 'YCP( ', A, ' ) ) / CMN' )\n\n\n96000 FORMAT(/\n & 'c..Solve analytically' )\n\n96020 FORMAT(/\n & ' A1 = 1.0D0 + L16 * DTC' /\n & ' A2 = 1.0D0 + L15 * DTC' /\n & ' A3 = YC0( ', A, ' ) + P15 * DTC' )\n\n96040 FORMAT(/\n & ' ATOP3 = A1 * A3 + R15_16 * YC0( ', A, ' )' /\n & ' ATOP5 = A2 * YC0( ', A, ' ) + R16_15 * A3' /\n & ' BOTT = A1 * A2 - R15_16 * R16_15' )\n\n\n96060 FORMAT(/\n & ' YCP( ', A, ' ) = ATOP3 / BOTT' /\n & ' YCP( ', A, ' ) = ATOP5 / BOTT' )\n\n\n97000 FORMAT( /\n & ' RETURN' //\n & ' END' )\n\n END\n\n\n" }, { "path": "UTIL/create_ebi/src/wr_gp4.F_1st_mod", "content": " SUBROUTINE WR_GP4\n\nC**********************************************************************\nC\nC FUNCTION: Create source code for the hrg4 subroutine in EBI\nC\nC PRECONDITIONS: None\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by Jerry Gipson, March, 2004\nC\nC**********************************************************************\n USE ENV_VARS\n USE GLOBAL_DATA\n\n IMPLICIT NONE\n\nC..INCLUDES: \n INCLUDE SUBST_IOPARMS ! IOAPI parameters\n INCLUDE SUBST_IODECL ! IOAPI declarations\n INCLUDE SUBST_GC_SPC ! Mechanism gas-phase species\n INCLUDE SUBST_RXCMMN ! Mechanism data\n \nC..ARGUMENTS: None\n\nC..PARAMETERS:\n INTEGER, PARAMETER :: GRPNO = 4\n\nC..EXTERNAL FUNCTIONS:\n INTEGER JUNIT ! gets unit no.\n INTEGER INDEX1 ! find position of string in list\n\nC..SAVED LOCAL VARIABLES: None\n \nC..SCRATCH LOCAL VARIABLES:\n CHARACTER( 16 ) :: PNAME = 'WR_GP4' ! Program name\n CHARACTER( 256 ) :: MSG ! Message text\n CHARACTER( 100 ) :: LINEIN ! Input line\n CHARACTER( CL ) :: SPOUT ! Ouput species\n CHARACTER( 16 ) :: SPEC \n CHARACTER( 256 ) :: FNAME ! Name of file to open\n CHARACTER( 72 ) :: CLINE ! Line of c's\n CHARACTER( 100 ) :: LINOUT\n CHARACTER( 100 ) :: RXOUT\n CHARACTER( 100 ) :: BLANK_LINE\n CHARACTER*( 3 ) :: RNUM ! Reaction number\n CHARACTER*( 6 ) :: COUT ! Output coefficient\n CHARACTER*( 1 ) :: SGN ! Coefficient sign\n \n\n INTEGER :: E1, E2 ! end pos of string\n INTEGER :: IND ! array index\n INTEGER :: IIN ! Unit no. of input file\n INTEGER :: IOUT ! Unit no. of output file\n INTEGER :: LOGDEV ! Unit no. of logdev\n INTEGER :: N, S, P, R ! Loop indices\n INTEGER :: NR ! No. of reactants\n INTEGER :: NPOS ! Reaction index\n INTEGER :: RPOS1 !\n INTEGER :: RPOS2 !\n INTEGER :: PPOS1 !\n INTEGER :: PPOS2 !\n\n LOGICAL :: LFIRST\n LOGICAL :: LRXN1\n LOGICAL :: LFIRST_R3 = .TRUE. \n\n LOGICAL :: LQUAD = .FALSE. \n\n REAL :: COEFF\n REAL :: RNO3\n REAL :: PNO3\n REAL :: RN2O5\n REAL :: PN2O5\n\n \nC**********************************************************************\n\n DO N = 1, 72\n CLINE( N : N ) = 'c'\n ENDDO\n\n DO N = 1, 100\n BLANK_LINE( N : N ) = ' '\n ENDDO\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Open ouput file and code template \nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n LOGDEV = INIT3()\n\n E1 = LEN_TRIM( OUTPATH )\n\n FNAME = OUTPATH( 1 : E1 ) // '/hrg4.F' \n\n IOUT = JUNIT()\n\n OPEN( UNIT = IOUT, FILE = FNAME, ERR = 9000 )\n\n\n IIN = JUNIT()\n\n E1 = LEN_TRIM( TMPLPATH )\n\n FNAME = TMPLPATH( 1 : E1 ) // '/hrg4.F' \n\n OPEN( UNIT = IIN, FILE = FNAME, ERR = 9000 )\n\n\n IF( LWR_COPY ) CALL WR_COPYRT( IOUT )\n\n IF( LWR_CVS_HDR ) CALL WR_CVSHDR( IOUT )\n\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Determine if there is a NO3+NO3 reaction ( ==> quadratic solution)\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n LQUAD = .FALSE.\n DO N = 1, NRXNS\n IF( IRR( N, 1 ) .EQ. NO3 .AND. IRR( N, 2 ) .EQ. NO3 )\n & LQUAD = .TRUE.\n ENDDO\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Read, modify, and write 1st section of code from template\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n 100 CONTINUE\n\n READ( IIN, 92000, END = 1000 ) LINEIN\n\n IF( LINEIN( 1 : 2 ) .EQ. 'R1' ) THEN\n\n WRITE( IOUT, 93000 ) GC_TAG( 1 : LEN_TRIM( GC_TAG ) )\n\n GO TO 100\n\n ELSEIF( LINEIN( 1 : 2 ) .EQ. 'R2' ) THEN\n\n WRITE( IOUT, 93020 ) CR_DATE( 1 : LEN_TRIM( CR_DATE ) )\n\n GO TO 100\n\n ELSEIF( LINEIN( 1 : 2 ) .EQ. 'R3' ) THEN\n\n E1 = LEN_TRIM( GC_SPC( NO3 ) )\n E2 = LEN_TRIM( GC_SPC( N2O5 ) )\n IF( LFIRST_R3 ) THEN\n\n IF( LQUAD ) THEN\n\n WRITE( IOUT, 93500 ) GC_SPC( NO3 )( 1 : E1 ),\n & GC_SPC( N2O5 )( 1 : E2 ),\n & GC_SPC( NO3 )( 1 : E1 )\n\n SPOUT = GC_SPC( NO3 )\n CALL LCASE( SPOUT )\n E1 = LEN_TRIM( SPOUT )\n LINOUT = ' REAL K15_15 ! K' //\n & SPOUT( 1 : E1 ) // '+' // SPOUT( 1 : E1 ) // ' * delta t'\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n ELSE\n\n WRITE( IOUT, 93520 ) GC_SPC( NO3 )( 1 : E1 ),\n & GC_SPC( N2O5 )( 1 : E2 ),\n & GC_SPC( NO3 )( 1 : E1 )\n\n ENDIF\n \n SPOUT = GC_SPC( N2O5 )\n CALL LCASE( SPOUT )\n E1 = LEN_TRIM( SPOUT )\n LINOUT = ' REAL R15_16 ! K' // SPOUT( 1 : E1 ) //\n & '-->'\n E1 = LEN_TRIM( LINOUT )\n SPOUT = GC_SPC( NO3 )\n CALL LCASE( SPOUT )\n E2 = LEN_TRIM( SPOUT )\n LINOUT = LINOUT( 1 : E1 ) // SPOUT( 1 : E2 ) //\n & ' * delta t'\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n \n\n SPOUT = GC_SPC( NO3 )\n CALL LCASE( SPOUT )\n E2 = LEN_TRIM( SPOUT )\n LINOUT = ' REAL R16_15 ! K' // SPOUT( 1 : E2 ) //\n & '+'\n E1 = LEN_TRIM( LINOUT )\n SPOUT = GC_SPC( NO2 )\n CALL LCASE( SPOUT )\n E2 = LEN_TRIM( SPOUT )\n LINOUT = LINOUT( 1 : E1 ) // SPOUT( 1 : E2 ) // '-->'\n E1 = LEN_TRIM( LINOUT )\n SPOUT = GC_SPC( N2O5 )\n CALL LCASE( SPOUT )\n E2 = LEN_TRIM( SPOUT )\n LINOUT = LINOUT( 1 : E1 ) // SPOUT( 1 : E2 ) // \n & '[NO2] * delta t'\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n LFIRST_R3 = .FALSE.\n\n ENDIF\n\n GO TO 100\n\n \n ELSEIF( LINEIN( 1 : 2 ) .EQ. 'S1' ) THEN\n\n GO TO 1000\n\n ELSE\n\n WRITE( IOUT, 92000 ) LINEIN( 1 : LEN_TRIM( LINEIN ) )\n\n GO TO 100\n\n ENDIF\n\n 1000 CONTINUE\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc P15 production section\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc P15 includes NO3 production from all reactions except N2O5=NO2+NO3 \nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n E1 = LEN_TRIM( GC_SPC( NO3 ) )\n E2 = LEN_TRIM( GC_SPC( N2O5 ) )\n WRITE( IOUT, 92000 )\n WRITE( IOUT, 94000 ) GC_SPC( NO3 )( 1 : E1 ), GC_SPC( N2O5 )( 1 : E2 )\n\nc..Determine the reactions to include & get coefficients for the prod terms\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n COEFF = 0.0\n CALL SUM_COEFF( RN2O5, 'R', N2O5, N )\n CALL SUM_COEFF( RNO3, 'R', NO3, N )\n CALL SUM_COEFF( PNO3, 'P', NO3, N )\n\n IF( PNO3 .LE. RNO3 ) CYCLE ! Skip rxns with Pno3=0\n\n ! Skip N2O5=NO3+NO2 Rxn\n IF( IRR( N, 1 ) .EQ. N2O5 .AND. IRR( N, 4 ) .EQ. NO3 .OR.\n & IRR( N, 1 ) .EQ. N2O5 .AND. IRR( N, 5 ) .EQ. NO3 )\n & CYCLE \n\n COEFF = PNO3 - RNO3 ! Rxns w/ Pc2o3>0\n\nc..call routine to create output line & write it\n NPOS = 30\n RPOS1 = 0\n RPOS2 = 0\n PPOS1 = NO3\n PPOS2 = 0\n CALL BLD_OUTLINE( 'RXRAT', 'P15', ' ', 0, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n ENDDO\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc L15 computation ( Loss of NO3 )\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC L15 includes the following NO3 loss terms:\nc a) all reactions in which NO3 is lost except NO3+NO3 if present\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n SPOUT = GC_SPC( NO3 )\n E1 = LEN_TRIM( SPOUT )\n WRITE( IOUT, 92000 )\n WRITE( IOUT, 94020 ) SPOUT( 1 : E1 ), SPOUT( 1 : E1 ), SPOUT( 1 : E1 )\n LRXN1 = .TRUE.\n DO N = 1, NRXNS \n\nc..Determine the rxn to include & get the coefficient for the loss term\n COEFF = 0.0\n CALL SUM_COEFF( RNO3, 'R', NO3, N )\n CALL SUM_COEFF( PNO3, 'P', NO3, N )\n\n IF( PNO3 .GE. RNO3 ) CYCLE ! Skip rxns w/ Lno3=0\n \n\n ! Skip NO3+NO3 rxn\n IF( IRR( N, 1 ) .EQ. NO3 .AND. IRR( N, 2 ) .EQ. NO3 ) CYCLE\n \n COEFF = RNO3 - PNO3\n\nc..call routine to create output line & write it\n NPOS = 20\n RPOS1 = NO3\n RPOS2 = 0\n PPOS1 = 0\n PPOS2 = 0\n CALL BLD_OUTLINE( 'LFREQ', 'L15', 'NO3', NO3, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n ENDDO\n \n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc L16 computation ( Loss of N2O5 )\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc L15 includes all reactions in which N2O5 is lost\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n SPOUT = GC_SPC( N2O5 )\n E1 = LEN_TRIM( SPOUT )\n WRITE( IOUT, 92000 )\n WRITE( IOUT, 94040 ) SPOUT( 1 : E1 )\n LRXN1 = .TRUE.\n DO N = 1, NRXNS \n\nc..Determine the rxn to include & get the coefficient for the loss term\n COEFF = 0.0\n CALL SUM_COEFF( RN2O5, 'R', N2O5, N )\n CALL SUM_COEFF( PN2O5, 'P', N2O5, N )\n\n IF( RN2O5 .LE. PN2O5 ) CYCLE ! Skip rxns w/ Ln2o5=0\n \n COEFF = RN2O5 - PN2O5\n\nc..call routine to create output line & write it\n NPOS = 20\n RPOS1 = N2O5\n RPOS2 = 0\n PPOS1 = 0\n PPOS2 = 0\n CALL BLD_OUTLINE( 'LFREQ', 'L16', 'N2O5', N2O5, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n ENDDO\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc k15_15, R15_16, and R16_15 terms\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\nc..Header & K15_15 term if present ( NO3+NO3=)\n IF( LQUAD ) THEN\n\n WRITE( IOUT, 92000 ) \n WRITE( IOUT, 94060 )\n\n DO N = 1, NRXNS\n IF( IRR( N, 1 ) .EQ. NO3 .AND. IRR( N, 2 ) .EQ. NO3 ) THEN\n WRITE( RNUM, '( I3 )' ) N\n LINOUT = ' K15_15 = RKI( ' // RNUM // ' ) * DTC'\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n ENDIF\n ENDDO\n\n ELSE\n\n WRITE( IOUT, 92000 ) \n WRITE( IOUT, 94080 )\n\n\n ENDIF\n\nc..R15_16 term ( production of NO3 from N2O5 )\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n IF( IRR( N, 1 ) .EQ. N2O5 .AND. IRR( N, 4 ) .EQ. NO3 .OR.\n & IRR( N, 1 ) .EQ. N2O5 .AND. IRR( N, 5 ) .EQ. NO3 ) THEN\n WRITE( RNUM, '( I3 )' ) N\n IF( LRXN1 )THEN\n LINOUT = ' R15_16 = RKI( ' // RNUM // ' ) '\n LRXN1 = .FALSE.\n ELSE\n LINOUT = ' & + RKI( ' // RNUM // ' ) ' \n ENDIF\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n ENDIF\n ENDDO\nC LINOUT = ' R15_16 = R15_16 * DTC '\nC E1 = LEN_TRIM( LINOUT )\nC WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\nc..R16_15 term ( production of N2O5 from NO3 )\n DO N = 1, NRXNS\n IF( ( IRR( N, 1 ) .EQ. NO3 .AND. IRR( N, 4 ) .EQ. N2O5 ) .OR.\n & ( IRR( N, 2 ) .EQ. NO3 .AND. IRR( N, 4 ) .EQ. N2O5 ) ) THEN\n WRITE( RNUM, '( I3 )' ) N\n \n LINOUT = ' R16_15 = RKI( ' // RNUM // \n & ' ) * YC( NO2 ) * DTC'\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n ENDIF\n ENDDO\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Write the remaining code\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF( LQUAD ) THEN\n\n LINOUT = 'c..Solution of quadratic equation to get ' //\n & GC_SPC( NO3 )( 1 : LEN_TRIM( GC_SPC( NO3 ) ) ) // ' & ' //\n & GC_SPC( N2O5 )( 1 : LEN_TRIM( GC_SPC( N2O5 ) ) )\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n WRITE( IOUT, 95000) GC_SPC( NO3 )( 1 : LEN_TRIM( GC_SPC( NO3 ) ) ),\n & GC_SPC( N2O5 )( 1 : LEN_TRIM( GC_SPC( N2O5 ) ) )\n\n WRITE( IOUT, 95020) \n\n WRITE( IOUT, 95040) GC_SPC( NO3 )( 1 : LEN_TRIM( GC_SPC( NO3 ) ) )\n\n WRITE( IOUT, 95060) GC_SPC( N2O5 )( 1 : LEN_TRIM( GC_SPC( N2O5 ) ) ),\n & GC_SPC( N2O5 )( 1 : LEN_TRIM( GC_SPC( N2O5 ) ) ),\n & GC_SPC( NO3 )( 1 : LEN_TRIM( GC_SPC( NO3 ) ) )\n\n\n ELSE\n\n WRITE( IOUT, 96000) \n\n WRITE( IOUT, 96020) GC_SPC( NO3 )( 1 : LEN_TRIM( GC_SPC( NO3 ) ) )\n\n WRITE( IOUT, 96040) GC_SPC( N2O5 )( 1 : LEN_TRIM( GC_SPC( N2O5 ) ) ),\n & GC_SPC( N2O5 )( 1 : LEN_TRIM( GC_SPC( N2O5 ) ) )\n\n WRITE( IOUT, 96060) GC_SPC( NO3 )( 1 : LEN_TRIM( GC_SPC( NO3 ) ) ),\n & GC_SPC( N2O5 )( 1 : LEN_TRIM( GC_SPC( N2O5 ) ) )\n\n\n ENDIF\n \n WRITE( IOUT, 97000)\n \n CLOSE( IIN )\n\n CLOSE( IOUT )\n\n RETURN \n\n 9000 MSG = 'ERROR: Could not open ' // FNAME( 1 : LEN_TRIM( FNAME ) )\n\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT2 )\n \n92000 FORMAT( A )\n92020 FORMAT( / )\n\n93000 FORMAT( 'C PRECONDITIONS: For the ', A, ' family of mechanisms' )\n93020 FORMAT( 'C REVISION HISTORY: Created by EBI solver program, ', A )\n\n93500 FORMAT( \n & ' REAL A, B, C, Q ! Quadratic equation terms'/\n & ' REAL CMN ! Temp scalar'/\n & ' REAL L15 ! Loss of ', A /\n & ' REAL L16 ! Loss of ', A /\n & ' REAL P15 ! Production of ', A )\n\n93520 FORMAT( \n & ' REAL A1, A2, A3 ! Temp scalars'/\n & ' REAL ATOP3 ! Temp scalar'/\n & ' REAL ATOP5 ! Temp scalar'/\n & ' REAL BOTT ! Temp scalar'/\n & ' REAL L15 ! Loss of ', A /\n & ' REAL L16 ! Loss of ', A /\n & ' REAL P15 ! Production of ', A )\n\n\n94000 FORMAT( \n & 'c..Production of ', A, ' (except from ', A, ' )' )\n\n94020 FORMAT( \n & 'c..Loss frequency of ', A, ' ( except ', A, \n & ' + ', A, ' if present )' )\n\n94040 FORMAT( \n & 'c..Loss frequency of ', A ) \n\n\n94060 FORMAT(\n & 'c..K15_15, R15_16, and R16_15 terms' )\n\n\n94080 FORMAT(\n & 'c..R15_16 and R16_15 terms' )\n\n95000 FORMAT( \n & ' CMN = 1.0 + L16 * DTC' /\n & ' A = 2.0 * K15_15 * CMN' /\n & ' B = CMN * ( 1.0 + L15 * DTC ) - (R15_16*DTC) * R16_15' /\n & ' C = CMN * ( YC0( ', A, ' ) + P15 * DTC ) + ',\n & '(R15_16*DTC) * YC0( ', A, ' )' )\n\n95020 FORMAT(/ \n & ' Q = -0.5 * ( B + SIGN( 1.0, B ) * ',\n & 'SQRT( B * B + 4.0 * A * C ) )' )\n\n95040 FORMAT( \n & ' YCP( ', A, ' ) = MAX( Q / A , -C / Q )' )\n\n95060 FORMAT( \n & ' YCP( ', A, ' ) = ( YC0( ', A, ' ) + R16_15 * ',\n & 'YCP( ', A, ' ) ) / CMN' )\n\n\n96000 FORMAT(/\n & 'c..Solve analytically' )\n\n96020 FORMAT(/\n & ' A1 = 1.0 + L16 * DTC' /\n & ' A2 = 1.0 + L15 * DTC' /\n & ' A3 = YC0( ', A, ' ) + P15 * DTC' )\n\n96040 FORMAT(/\n & ' ATOP3 = A1 * A3 + (R15_16*DTC) * YC0( ', A, ' )' /\n & ' ATOP5 = A2 * YC0( ', A, ' ) + R16_15 * A3' /\n & ' BOTT = A1 * A2 - (R15_16*DTC) * R16_15' )\n\n\n96060 FORMAT(/\n & ' YCP( ', A, ' ) = ATOP3 / BOTT' /\n & ' YCP( ', A, ' ) = ATOP5 / BOTT' )\n\n\n97000 FORMAT( /\n & ' RETURN' //\n & ' END' )\n\n END\n\n\n" }, { "path": "UTIL/create_ebi/src/wr_grp1.F_03-06-06", "content": " SUBROUTINE WR_GP1\n\nC**********************************************************************\nC\nC FUNCTION: Create source code for the hrgp1 subroutine in EBI\nC\nC PRECONDITIONS: None\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by Jerry Gipson, February, 2004\nC\nC**********************************************************************\n USE ENV_VARS\n USE GLOBAL_DATA\n\n IMPLICIT NONE\n\nC..INCLUDES: \n INCLUDE SUBST_IOPARMS ! IOAPI parameters\n INCLUDE SUBST_IODECL ! IOAPI declarations\n INCLUDE SUBST_GC_SPC ! Mechanism gas-phase species\n INCLUDE SUBST_RXCMMN ! Mechanism data\n \nC..ARGUMENTS: None\n\nC..PARAMETERS:\n INTEGER, PARAMETER :: GRPNO = 1\n\nC..EXTERNAL FUNCTIONS:\n INTEGER JUNIT ! gets unit no.\n INTEGER INDEX1 ! find position of string in list\n\nC..SAVED LOCAL VARIABLES: None\n \nC..SCRATCH LOCAL VARIABLES:\n CHARACTER( 16 ) :: PNAME = 'WR_GP1' ! Program name\n CHARACTER( 256 ) :: MSG ! Message text\n CHARACTER( 100 ) :: LINEIN ! Input line\n CHARACTER( CL ) :: SPOUT ! Ouput species\n CHARACTER( 16 ) :: SPEC \n CHARACTER( 256 ) :: FNAME ! Name of file to open\n CHARACTER( 72 ) :: CLINE ! Line of c's\n CHARACTER( 100 ) :: LINOUT\n CHARACTER( 100 ) :: RXOUT\n CHARACTER( 100 ) :: BLANK_LINE\n CHARACTER*( 3 ) :: RNUM ! Reaction number\n CHARACTER*( 9 ) :: COUT ! Output coefficient\n CHARACTER*( 1 ) :: SGN ! Coefficient sign\n \n\n INTEGER :: E1, E2 ! end pos of string\n INTEGER :: IND ! array index\n INTEGER :: IIN ! Unit no. of input file\n INTEGER :: IOUT ! Unit no. of output file\n INTEGER :: LOGDEV ! Unit no. of logdev\n INTEGER :: N, S, P, R ! Loop indices\n INTEGER :: NR ! No. of reactants\n INTEGER :: NPOS ! Reaction index\n INTEGER :: RPOS1 ! Species to occupy reactant pos 1 in rxn line\n INTEGER :: RPOS2 ! Species to occupy reactant pos 2 in rxn line\n INTEGER :: PPOS1 ! Species to occupy product pos 1 in rxn line\n INTEGER :: PPOS2 ! Species to occupy product pos 2 in rxn line\n\n INTEGER :: J1, J2, K1_3 ! Rxn nos for NO2+hv, O3P+NO, & NO+O3\n INTEGER :: KO3_O1D ! Rxn number for O3+hv=O1D\n\n LOGICAL :: LPHOT ! Photolysis rxn flag\n LOGICAL :: LFIRST ! First pass flag\n LOGICAL :: LRXN1 ! First rxn flag\n\n REAL :: COEFF ! Prod/loss coefficient\n REAL :: RNO ! Sum of NO reactant coefficients\n REAL :: RNO2 ! Sum of NO2 reactant coefficients\n REAL :: PNO ! Sum of NO product coefficients\n REAL :: PNO2 ! Sum of NO2 product coefficients\n\n REAL :: RO3 ! Sum of O3 reactant coefficients\n REAL :: PO3 ! Sum of O3 product coefficients\n\n REAL :: RO3P ! Sum of O3P reactant coefficients\n REAL :: PO3P ! Sum of O3P product coefficients\n\n REAL :: RO1D ! Sum of O1D reactant coefficients\n REAL :: PO1D ! Sum of O1D product coefficients\n\n \n\nC**********************************************************************\n\n DO N = 1, 72\n CLINE( N : N ) = 'c'\n ENDDO\n\n DO N = 1, 100\n BLANK_LINE( N : N ) = ' '\n ENDDO\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Open ouput file and code template \nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n LOGDEV = INIT3()\n\n E1 = LEN_TRIM( OUTPATH )\n\n FNAME = OUTPATH( 1 : E1 ) // '/hrg1.F' \n\n IOUT = JUNIT()\n\n OPEN( UNIT = IOUT, FILE = FNAME, ERR = 9000 )\n\n\n IIN = JUNIT()\n\n E1 = LEN_TRIM( TMPLPATH )\n\n FNAME = TMPLPATH( 1 : E1 ) // '/hrg1.F' \n\n OPEN( UNIT = IIN, FILE = FNAME, ERR = 9000 )\n\n\n IF( LWR_COPY ) CALL WR_COPYRT( IOUT )\n\n IF( LWR_CVS_HDR ) CALL WR_CVSHDR( IOUT )\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Read, modify, and write 1st section of code from template\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n 100 CONTINUE\n\n READ( IIN, 92000, END = 1000 ) LINEIN\n\n IF( LINEIN( 1 : 2 ) .EQ. 'R1' ) THEN\n\n WRITE( IOUT, 93000 ) GC_TAG( 1 : LEN_TRIM( GC_TAG ) )\n\n GO TO 100\n\n ELSEIF( LINEIN( 1 : 2 ) .EQ. 'R2' ) THEN\n\n WRITE( IOUT, 93020 ) CR_DATE( 1 : LEN_TRIM( CR_DATE ) )\n\n GO TO 100\n \n\n ELSEIF( LINEIN( 1 : 2 ) .EQ. 'S1' ) THEN\n\n GO TO 1000\n\n ELSE\n\n WRITE( IOUT, 92000 ) LINEIN( 1 : LEN_TRIM( LINEIN ) )\n\n GO TO 100\n\n ENDIF\n\n 1000 CONTINUE\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Do O1D section\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n WRITE( IOUT, 92020 )\n WRITE( IOUT, 92000 ) CLINE\n WRITE( IOUT, 93100 )\n WRITE( IOUT, 92000 ) CLINE\n\nc..get all reactions in which O1D is reacting\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n\n IF ( IRR( N, 1 ) .NE. O1D ) CYCLE ! Skip Rxns w/ Lo1d=0\n\n COEFF = 1.0\n\n NPOS = 20\n RPOS1 = O1D\n RPOS2 = 0\n PPOS1 = 0\n PPOS2 = 0\n CALL BLD_OUTLINE( 'LFREQ', 'O1D_S', 'O1D', O1D, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n ENDDO\n\n WRITE( IOUT, 92000 )\n\nc..get reaction(s) producing O3P from O1D\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n\n IF ( IRR( N, 1 ) .NE. O1D .OR. IRR( N, 4 ) .NE. O3P ) CYCLE \n\n COEFF = SC( N, 1 )\n\n NPOS = 20\n RPOS1 = O1D\n RPOS2 = 0\n PPOS1 = OH\n PPOS2 = 0\n CALL BLD_OUTLINE( 'LFREQ', 'O3P_S', 'O1D', O1D, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n ENDDO\n\nc..write the the final line \n WRITE( IOUT, 92000 )\n LINOUT = ' O3P_S = O3P_S / O1D_S'\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc R1_2 computation ( Production of NO from reactions of NO2 )\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC R1_2 includes the following NO loss/NO2 production terms: \nc a) those in which NO is produced from NO2 (include only\nc equivalent amounts of loss and production) \nc\nc Hence,\nc\nc {aNO +} bNO2 {+ X} = cNO + dNO2\nc if c le a ==> Pno = 0, so R1_2 coeff = 0\nc if c gt a ==> Pno > 0 \nc if b le d ==> Lno2 = 0, so R1_2 coeff = 0\nc if b gt d ==> Lno2 > 0, so\nc if b-d > c-a ==> Lno2 > Pno, so R1_2 coeff = c-a\nc if b-d = c-a ==> Lno2 = Pno, so R1_2 coeff = c-a\nc if b-d < c-a ==> Lno2 < Pno, so R1_2 coeff = b-d\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc..Write the section header\n WRITE( IOUT, 92020 )\n WRITE( IOUT, 92000 ) CLINE\n WRITE( IOUT, 94000 )\n WRITE( IOUT, 92000 ) CLINE\n\n\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n\nc..find the rxns to include and set the coefficient\n COEFF = 0.0\n CALL SUM_COEFF( RNO, 'R', NO, N )\n CALL SUM_COEFF( RNO2, 'R', NO2, N )\n CALL SUM_COEFF( PNO, 'P', NO, N )\n CALL SUM_COEFF( PNO2, 'P', NO2, N )\n\n IF( PNO .LE. RNO ) CYCLE ! Skip rxn if Pno=0 \n\n IF( RNO2 .LE. PNO2 ) CYCLE ! Skip rxn if Lno2=0\n\n IF( RNO2 - PNO2 .GE. PNO - RNO ) THEN \n COEFF = PNO - RNO ! for Lno2 >= Pno\n ELSE\n COEFF = RNO2 - PNO2 ! for Lno2 < Pno\n ENDIF\n\n IF( COEFF .EQ. 0.0 ) CYCLE\n\nc..call routine to create output line & write it\n NPOS = 20\n RPOS1 = NO2\n RPOS2 = 0\n PPOS1 = NO\n PPOS2 = NO2\n CALL BLD_OUTLINE( 'LFREQ', 'R1_2', 'NO2', NO2, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n ENDDO \n\n WRITE( IOUT, '( A )' ) ' R1_2 = R1_2 * DTC'\n\n \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc P1 computation ( Production of NO )\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC P1 includes NO production terms from the following reactions: \nc a) those in which NO is produced & NO2 is NOT a reactant\nc b) those in which NO is produced and NO2 is consumed and the \nc NO production rate exceeds the NO2 loss rate (excess amount only)\nc\nc Hence,\nc\nc {aNO +} bNO2 {+ X} = cNO + dNO2\nc if c le a ==> Pno=o, so P1 coeff = 0 \nc if c gt a ==> Pno > 0, so\nc if b le d ==> Lno2 = 0, so P1 coeff = c-a\nc if b gt d ==> Lno2 > 0, so\nc if b-d > c-a ==> Lno2 > Pno, so P1 coeff = 0\nc if b-d = c-a ==> Lno2 = Pno, so P1 coeff = 0\nc if b-d < c-a ==> Lno2 < Pno, so P1 coeff = (c-a) - (b-d)\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n WRITE( IOUT, 92020 )\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n\nc..Determine the reaction to include & get the coefficient for the prod term\n COEFF = 0.0\n CALL SUM_COEFF( RNO, 'R', NO, N )\n CALL SUM_COEFF( RNO2, 'R', NO2, N )\n CALL SUM_COEFF( PNO, 'P', NO, N )\n CALL SUM_COEFF( PNO2, 'P', NO2, N )\n\n IF( PNO .LE. RNO ) CYCLE ! Skip rxns w/ Pno=0\n\n IF( RNO2 .LE. PNO2 ) THEN \n COEFF = PNO - RNO ! Rxns w/ Lno2=0\n ELSEIF( RNO2 - PNO2 .LT. PNO - RNO ) THEN\n COEFF = ( PNO - RNO ) - ( RNO2 - PNO2 ) ! Rxns w/ Lno2 < Pno\n ENDIF\n\n IF( COEFF .EQ. 0.0 ) CYCLE \n\nc..call routine to create output line & write it\n NPOS = 25\n RPOS1 = NO2\n RPOS2 = 0\n PPOS1 = NO\n PPOS2 = NO2\n CALL BLD_OUTLINE( 'RXRAT', 'P1', ' ', 0, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n ENDDO\n\n SPOUT = ADJUSTL( GC_SPC( NO ) )\n E1 = LEN_TRIM( SPOUT )\n WRITE( IOUT, '( 3A )' ) ' P1 = YC0( ', SPOUT( 1 : E1 ),\n & ' ) + P1 * DTC'\n\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc L1 computation ( Loss of NO )\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC L1 includes the following net NO loss terms:\nc a) loss from reactions in which NO2 is not produced\nc b) in reactions in which NO2 is produced, the amount of NO lost\nc in excess of the amount of NO2 formed\nc\nc Hence,\nc\nc aNO {+ bNO2} {+ X} = cNO + dNO2\nc if a le c ==> Lno = 0, so L1 coeff =0\nc if a gt c ==> Lno > 0, so\nc if d le b ==> Pno2 = 0 so L1 coeff = (a-c)\nc if d gt b ==> Pno2 > 0, so \nc if a-c le d-b ==> Lno < Pno2, so L1 coeff = 0\nc if a-c gt d-b ==> Lno > Pno2, so L1 coeff = (a-c)-(d-b)\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n WRITE( IOUT, 92020 )\n LRXN1 = .TRUE.\n DO N = 1, NRXNS \n\nc..Determine the rxn to include & get the coefficient for the loss term\n COEFF = 0.0\n CALL SUM_COEFF( RNO, 'R', NO, N )\n CALL SUM_COEFF( RNO2, 'R', NO2, N )\n CALL SUM_COEFF( PNO2, 'P', NO2, N )\n CALL SUM_COEFF( PNO, 'P', NO, N )\n\n IF( RNO .LE. PNO ) CYCLE ! Skip rxns w/ Lno=0\n\n IF( PNO2 .LE. RNO2 ) COEFF = RNO - PNO ! Rxns w/ Lno>0 & Pno2=0\n\n IF( PNO2 .GT. RNO2 .AND. \n & RNO - PNO .GT. PNO2 - RNO2 ) \n & COEFF = RNO - PNO - ( PNO2 - RNO2 ) ! Rxns w/ Lno>0 & Lno>Pno2\n \n IF( COEFF .EQ. 0.0 ) CYCLE\n\nc..call routine to create output line & write it\n NPOS = 20\n RPOS1 = NO\n RPOS2 = 0\n PPOS1 = NO\n PPOS2 = NO2\n CALL BLD_OUTLINE( 'LFREQ', 'L1', 'NO', NO, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n ENDDO\n \n LINOUT = ' L1 = 1.0 + L1 * DTC'\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc R2_1 computation ( Production of NO2 from reactions of NO )\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC R2_1 includes NO2 production from the following reeactions: \nc a) those in which NO2 is produced from NO (include only\nc equivalent amounts of loss and production) \nc b) EXCEPTION: do not include NO+O3=NO2 \nc\nc Hence,\nc\nc aNO {bNO2} {+ X} = cNO + dNO2\nc if d le b ==> Pno2 = 0, so R2_1 coeff = 0\nc if d gt b ==> Pno2 > 0 \nc if a le c ==> Lno = 0, so R2_1 coeff = 0\nc if c gt a ==> Lno > 0, so\nc if d-b > a-c ==> Pno2 > Lno, so R2_1 coeff = a-c\nc if d-b = a-c ==> Pno2 = Lno, so R2_1 coeff = a-c\nc if d-b < a-c ==> Pno2 < Lno, so R2_1 coeff = d-b\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc..Write the section header\n WRITE( IOUT, 92020 )\n WRITE( IOUT, 92000 ) CLINE\n WRITE( IOUT, 94020 )\n WRITE( IOUT, 92000 ) CLINE\n\n LRXN1 = .TRUE.\n DO N = 1, NRXNS \n\nc..Determine the rxn to include & get the coefficient for the loss term\n COEFF = 0.0\n CALL SUM_COEFF( RNO, 'R', NO, N )\n CALL SUM_COEFF( RNO2, 'R', NO2, N )\n CALL SUM_COEFF( PNO, 'P', NO, N )\n CALL SUM_COEFF( PNO2, 'P', NO2, N )\n\n IF( PNO2 .LE. RNO2 ) CYCLE ! Skip rxns with Pno2=0\n\nc..do not include NO+O3=NO2 reaction\n IF( ( IRR( N, 1 ) .EQ. NO .AND. IRR( N, 2 ) .EQ. O3 ) .OR.\n & ( IRR( N, 1 ) .EQ. O3 .AND. IRR( N, 2 ) .EQ. NO ) .AND.\n & IRR( N, 4 ) .EQ. NO2 ) CYCLE\n\n IF( RNO .LE. PNO ) CYCLE ! Skip rxns with Lno=0\n \n IF( PNO2 - RNO2 .GE. RNO - PNO ) THEN\n COEFF = RNO - PNO ! for Pno2>=Lno\n ELSE\n COEFF = PNO2 - RNO2 ! for Pno2 Pno2=o, so P2 coeff = 0 \nc if d gt b ==> Pno2 > 0, so\nc if a le c ==> Lno = 0, so P2 coeff = d-b\nc if a gt c ==> Lno > 0, so\nc if d-b > a-c ==> Pno2 > Lno, so P2 coeff = (d-b)-(a-c)\nc if d-b = a-c ==> Pno2 = Lno, so P2 coeff = 0\nc if d-b < a-c ==> Pno2 < Lno, so P2 coeff = 0\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n WRITE( IOUT, 92020 )\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n\nc..Determine the reaction to include & get the coefficient for the prod term\n COEFF = 0.0\n CALL SUM_COEFF( RNO, 'R', NO, N )\n CALL SUM_COEFF( RNO2, 'R', NO2, N )\n CALL SUM_COEFF( PNO, 'P', NO, N )\n CALL SUM_COEFF( PNO2, 'P', NO2, N )\n\nc ! do not include NO+O3=NO2 reaction\nc IF( ( IRR( N, 1 ) .EQ. NO .AND. IRR( N, 2 ) .EQ. O3 ) .OR.\nc & ( IRR( N, 2 ) .EQ. NO .AND. IRR( N, 1 ) .EQ. O3 ) ) CYCLE\n\n IF( PNO2 .LE. RNO2 ) CYCLE ! Skip rxns with Pno2=0\n\n IF( RNO .LE. PNO ) ! Rxns w/ Pno2>0 & Lno=0\n & COEFF = PNO2 - RNO2 \n\n IF( RNO - PNO .GT. 0.0 .AND. ! Rxns w/ Pno2>0 & Lno>0 &\n & PNO2 - RNO2 .GT. RNO - PNO ) ! Pno2>Lno \n & COEFF = ( PNO2 - RNO2 ) - ( RNO - PNO ) \n\n IF( COEFF .EQ. 0.0 ) CYCLE \n\nc..call routine to create output line & write it\n NPOS = 25\n RPOS1 = NO\n RPOS2 = NO2\n PPOS1 = NO2\n PPOS2 = NO\n CALL BLD_OUTLINE( 'RXRAT', 'P2', ' ', 0, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n ENDDO\n\n SPOUT = ADJUSTL( GC_SPC( NO2 ) )\n E1 = LEN_TRIM( SPOUT )\n WRITE( IOUT, '( 3A )' ) ' P2 = YC0( ', SPOUT( 1 : E1 ),\n & ' ) + P2 * DTC'\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc L2 computation ( Loss of NO2 )\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC L2 includes the following NO2 loss terms:\nc a) for reactions in which NO is not produced, the amount of NO2 lost\nc b) for reactions in which NO2 is lost and NO is produced,\nc the amount of NO2 lost in excess of the amount of NO produced\nc\nc Hence,\nc\nc {aNO +} bNO2 {+ X} = cNO + dNO2\nc if b le d ==> Lno2 = 0, so L2 coeff =0\nc if b gt d ==> Lno2 > 0, so\nc if c le a ==> Pno = 0 so L2 coeff = (a-c)\nc if c gt a ==> Pno > 0, so \nc if b-d le c-a ==> Lno2 < Pno, so L2 coeff = 0\nc if b-d gt c-a ==> Lno2 > Pno, so L2 coeff = (b-d)-(c-a)\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n WRITE( IOUT, 92020 )\n LRXN1 = .TRUE.\n DO N = 1, NRXNS \n\nc..Determine the rxn to include & get the coefficient for the loss term\n COEFF = 0.0\n CALL SUM_COEFF( RNO, 'R', NO, N )\n CALL SUM_COEFF( RNO2, 'R', NO2, N )\n CALL SUM_COEFF( PNO, 'P', NO, N )\n CALL SUM_COEFF( PNO2, 'P', NO2, N )\n\n IF( RNO2 .LE. PNO2 ) CYCLE ! Skip rxns w/ Lno2=0\n\n IF( RNO .GE. PNO ) COEFF = RNO2 - PNO2 ! Rxns w/ Lno2>0 & Pno=0 \n IF( RNO .LT. PNO .AND. ! Rxns w/ Lno2>0 & Pno>0\n & RNO2 - PNO2 .GT. PNO - RNO ) ! & Lno2>Pno\n & COEFF = (RNO2 -PNO2 ) - ( PNO - RNO ) \n \n IF( COEFF .EQ. 0.0 ) CYCLE\n\nc..call routine to create output line & write it\n NPOS = 20\n RPOS1 = NO2\n RPOS2 = NO\n PPOS1 = NO\n PPOS2 = NO2\n CALL BLD_OUTLINE( 'LFREQ', 'L2 ', 'NO2', NO2, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n ENDDO\n \n LINOUT = ' L2 = 1.0 + L2 * DTC'\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc P3 computation ( Production of O3 )\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc P3 includes O3 production terms from the following reactions: \nc a) those in which O3 is produced EXCEPT O3P=O3\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc..Write the section header\n WRITE( IOUT, 92020 )\n WRITE( IOUT, 92000 ) CLINE\n WRITE( IOUT, 94040 )\n WRITE( IOUT, 92000 ) CLINE\n\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n\nc..Determine the reaction to include & get the coefficient for the prod term\n COEFF = 0.0\n CALL SUM_COEFF( RO3, 'R', O3, N )\n CALL SUM_COEFF( PO3, 'P', O3, N )\n\n IF( RO3 .GE. PO3 ) CYCLE ! Skip rxns with Po3=0\n\n IF( IRR( N, 1 ) .EQ. O3P .AND. \n & IRR( N, 4 ) .EQ. O3 ) CYCLE ! Skip O3P=O3 rxn\n\n COEFF = PO3 \n\nc..call routine to create output line & write it\n NPOS = 25\n RPOS1 = 0\n RPOS2 = 0\n PPOS1 = O3\n PPOS2 = 0\n CALL BLD_OUTLINE( 'RXRAT', 'P3 ', ' ', 0, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n ENDDO\n\n\n SPOUT = ADJUSTL( GC_SPC( O3 ) )\n E1 = LEN_TRIM( SPOUT )\n\n IF( LRXN1 ) THEN\n WRITE( IOUT, '( 3A )' ) ' P3 = YC0( ', SPOUT( 1 : E1 ),\n & ' ) ' \n ELSE\n WRITE( IOUT, '( 3A )' ) ' P3 = YC0( ', SPOUT( 1 : E1 ),\n & ' ) + P3 * DTC'\n ENDIF\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc L3 computation ( Loss of O3 )\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc L3 includes O3 loss terms from the following reactions: \nc a) those in which O3 is lost EXCEPT NO+O3=NO2\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n WRITE( IOUT, 92020 )\n LRXN1 = .TRUE.\n DO N = 1, NRXNS \n\nc..Determine the rxn to include & get the coefficient for the loss term\n COEFF = 0.0\n CALL SUM_COEFF( RO3, 'R', O3, N )\n CALL SUM_COEFF( PO3, 'P', O3, N )\n\n IF( PO3 .GE. RO3 ) CYCLE ! Skip rxns w/ Lo3=0\n\n ! do not include NO+O3=NO2 reaction\n IF( ( IRR( N, 1 ) .EQ. NO .AND. IRR( N, 2 ) .EQ. O3 ) .OR.\n & ( IRR( N, 1 ) .EQ. O3 .AND. IRR( N, 2 ) .EQ. NO ) .AND.\n & IRR( N, 4 ) .EQ. NO2 ) CYCLE\n \n COEFF = RO3\n\nc..call routine to create output line & write it\n NPOS = 20\n RPOS1 = O3\n RPOS2 = 0\n PPOS1 = 0\n PPOS2 = 0\n CALL BLD_OUTLINE( 'LFREQ', 'L3 ', 'O3', O3, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n ENDDO\n \n LINOUT = ' L3 = 1.0 + L3 * DTC'\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc P12 computation ( Production of O3P )\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc P12 includes O3P production terms from the following reactions: \nc a) those in which O3P is produced EXCEPT NO2+hv=O3P\nc b) special conditions: eliminate O1D=O3P and change\nc O3=O1D to O3=O3P with stoichiometric coeff=O3P_S\nc ( done in BLD_OUTLINE)\nc\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc..Write the section header\n WRITE( IOUT, 92020 )\n WRITE( IOUT, 92000 ) CLINE\n WRITE( IOUT, 94060 )\n WRITE( IOUT, 92000 ) CLINE\n\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n\nc..Determine the reaction to include & get the coefficient for the prod term\n COEFF = 0.0\n CALL SUM_COEFF( PO3P, 'P', O3P, N )\n CALL SUM_COEFF( RO1D, 'R', O1D, N )\n CALL SUM_COEFF( PO1D, 'P', O1D, N )\n\n IF( PO3P .LE. 0.0 .AND. PO1D .LE. 0.0 ) CYCLE ! Skip rxns with Po3p=0\n ! & Po1d=0\n\n IF( IRR( N, 1 ) .EQ. O1D .AND.\n & IRR( N, 4 ) .EQ. O3P ) CYCLE ! Skip O1D=O3P \n\n\n ! Skip NO2+hv=O3P rxn\n IF( IRR( N, 1 ) .EQ. NO2 .AND. ( IRR( N, 4 ) .EQ. O3P .OR.\n & IRR( N, 5 ) .EQ. O3P ) ) CYCLE \n\n COEFF = PO3P \n\nc..call routine to create output line & write it\n NPOS = 25\n RPOS1 = 0\n RPOS2 = 0\n PPOS1 = O3P\n PPOS2 = 0\n\n CALL BLD_OUTLINE( 'RXRAT', 'P12 ', ' ', 0, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n ENDDO\n\n\n SPOUT = ADJUSTL( GC_SPC( O3P ) )\n E1 = LEN_TRIM( SPOUT )\n\n WRITE( IOUT, '( 3A )' ) ' P12 = YC0( ', SPOUT( 1 : E1 ),\n & ' ) + P12 * DTC'\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc L12 computation ( Loss of O3P )\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc L12 includes O3P loss terms from the following reactions: \nc a) those in which O3P reacts \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc..Write the section header\n WRITE( IOUT, 92020 )\n\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n\nc..Determine the reaction to include & get the coefficient for the prod term\n COEFF = 0.0\n CALL SUM_COEFF( RO3P, 'R', O3P, N )\n CALL SUM_COEFF( PO3P, 'P', O3P, N )\n\n IF( PO3P .GE. RO3P ) CYCLE ! Skip rxns with Lo3p=0\n\n COEFF = RO3P - PO3P\n\nc..call routine to create output line & write it\n NPOS = 25\n RPOS1 = O3P\n RPOS2 = 0\n PPOS1 = O3P\n PPOS2 = 0\n\n CALL BLD_OUTLINE( 'LFREQ', 'L12 ', 'O3P', O3P, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n LRXN1 = .FALSE.\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n ENDDO\n\n WRITE( IOUT, '( 3A )' ) ' L12 = 1.0 + L12 * DTC'\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Continue reading template section\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n 200 CONTINUE\n\n READ( IIN, 92000, END = 300 ) LINEIN\n\n IF( LINEIN( 1 : 2 ) .EQ. 'S1' ) GO TO 300\n\n GO TO 200\n\n 300 CONTINUE\n\nc..Find rection numbers for NO2->NO+O, O3P->O3, & NO+O3->NO2\n DO N = 1, NRXNS\n\n IF( NREACT( N ) .EQ. 1 .AND. IRR( N, 1 ) .EQ. NO2 ) J1 = N\n\n IF( IRR( N, 1 ) .EQ. O3P .AND. IRR( N, 4 ) .EQ. O3 )\n & J2 = N\n\n IF( ( IRR( N, 1 ) .EQ. NO .AND. IRR( N, 2 ) .EQ. O3 ) .OR.\n & ( IRR( N, 1 ) .EQ. O3 .AND. IRR( N, 2 ) .EQ. NO ) ) \n & K1_3 = N\n\n ENDDO\n\n LFIRST = .TRUE.\n\n 400 CONTINUE\n\n READ( IIN, 92000, END = 2000 ) LINEIN\n\n IF( LINEIN( 1 : 2 ) .EQ. 'R3' ) THEN\n\n IF( LFIRST ) WRITE( IOUT, 95000 ) J1, J2, K1_3\n LFIRST = .FALSE.\n GO TO 400\n\n ELSEIF( LINEIN( 1 : 2 ) .EQ. 'S2' ) THEN\n \n GO TO 2000\n\n ELSE\n\n WRITE( IOUT, 92000 ) LINEIN( 1 : LEN_TRIM( LINEIN ) )\n\n GO TO 400\n\n ENDIF\n \n2000 CONTINUE\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Finish solution section code\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\nc..Find O3->O1D Rxn no.\n\n DO N = 1, NRXNS\n IF( IRR( N, 1 ) .EQ. O3 .AND. IRR( N, 4 ) .EQ. O1D ) THEN\n KO3_O1D = N\n EXIT\n ENDIF\n ENDDO\n\n WRITE( IOUT, 96000 ) GC_SPC( NO )( 1 : LEN_TRIM( GC_SPC( NO ) ) )\n WRITE( IOUT, 96020 ) GC_SPC( NO2 )( 1 : LEN_TRIM( GC_SPC( NO2 ) ) )\n WRITE( IOUT, 96040 ) GC_SPC( NO2 )( 1 : LEN_TRIM( GC_SPC( NO2 ) ) )\n WRITE( IOUT, 96060 )\n WRITE( IOUT, 96080 ) GC_SPC( O3 )( 1 : LEN_TRIM( GC_SPC( O3 ) ) ),\n & GC_SPC( NO )( 1 : LEN_TRIM( GC_SPC( NO ) ) )\n WRITE( IOUT, 96100 ) GC_SPC( O3P )( 1 : LEN_TRIM( GC_SPC( O3P ) ) )\n\n WRITE( RNUM, '(I3)' ) KO3_O1D\n RNUM = ADJUSTL( RNUM )\n WRITE( IOUT, 96120 ) GC_SPC( O1D )( 1 : LEN_TRIM( GC_SPC( O1D ) ) ),\n & RNUM( 1 : LEN_TRIM( RNUM ) ),\n & GC_SPC( O3 )( 1 : LEN_TRIM( GC_SPC( O3 ) ) )\n WRITE( IOUT, 96140 )\n\n CLOSE( IIN )\n\n CLOSE( IOUT )\n\n RETURN \n\n 9000 MSG = 'ERROR: Could not open ' // FNAME( 1 : LEN_TRIM( FNAME ) )\n\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT2 )\n \n92000 FORMAT( A )\n92020 FORMAT( / )\n\n93000 FORMAT( 'C PRECONDITIONS: For the ', A, ' family of mechanisms' )\n93020 FORMAT( 'C REVISION HISTORY: Created by EBI solver program, ', A )\n\n93100 FORMAT( 'c O1D Section' /\n & 'c 1) sum of the rate constants for all O1D loss reactions' /\n & 'c 2) get fractional yield of O3P from O1D loss' )\n\n94000 FORMAT(\n & 'c NO Section' /\n & 'c R1_2 = production of NO from NO2 ( rates of form k[NO2][x] )' /\n & 'c except NO2+NO3=NO+NO2 (it is treated as if it',\n & ' were NO3=NO )' /\n & 'c P1 = remaining NO production terms' /\n & 'c L1 = loss of NO (except rxns producing NO2 - they',\n & ' are in R2_1)' )\n\n94020 FORMAT(\n & 'c NO2 Section' /\n & 'c R2_1 = production of NO2 from NO ( rates of form k[NO][x] )'/\n & 'c a) NO+O3=NO2 not included'/\n & 'c b) NO+NO3=2NO2 ( 1/2 of NO2 formation rate included )' /\n & 'c c) NO3+NO2=NO+NO2 is not included for NO2' /\n & 'c P2 = remaining NO2 production terms ' /\n & 'c a) NO+O3=NO2 not included' /\n & 'c b) NO+NO3=2NO2 (1/2 of NO2 formation rate included )' /\n & 'c L2 = loss of NO2 (except rxns producing NO2 - they are in R1_2)' )\n\n94040 FORMAT( \n & 'c O3 Section' /\n & 'c P3 = production of O3 except O+O2=O3' /\n & 'c L3 = loss terms for O3 except NO+O3=NO2' )\n\n94060 FORMAT(\n & 'c O3P Section ' /\n & 'c P12 = production of O3P except NO2+hv=O3P (J1)' /\n & 'c L12 = loss terms' ) \n\n\n95000 FORMAT( \n &' RK1 = RKI( ', I3, ' ) * DTC ! J1 (NO2+hv=NO+O3P)' /\n &' RK2 = RKI( ', I3, ' ) * DTC ! J2 (O3P+O2=O3)' /\n &' RK3 = RKI( ', I3, ' ) * DTC ! k1_3 (NO+O3=NO2)' )\n\n96000 FORMAT( ' YCP( ', A, ' ) = MAX( 0.0, ( P1 + XX ) * L1_INV )' / )\n96020 FORMAT( ' YCP( ', A, ' ) = MAX( 0.0, ( P2 - XX ) * L2_INV )' / )\n96040 FORMAT( ' S1 = P12 + RK1 * YCP( ', A, ' )' / )\n96060 FORMAT( ' S2 = T4 * S1' / )\n96080 FORMAT( ' YCP( ', A, ' ) = ( P3 + S2 ) / ( L3 + RK3 * YCP( ',\n & A, ' ) )' / )\n96100 FORMAT( ' YCP( ', A, ' ) = S1 * L12_INV' / )\n96120 FORMAT( ' YCP( ', A, ' ) = RKI( ', A, ' ) * YCP( ', A, \n & ' ) / O1D_S' / )\n96140 FORMAT( ' RETURN' // ' END' // )\n\n\n\n END\n\n\n" }, { "path": "UTIL/create_ebi/src/wr_init.F", "content": " SUBROUTINE WR_INIT\n\nC**********************************************************************\nC\nC FUNCTION: Create source code for the hrinit subroutine in EBI\nC\nC PRECONDITIONS: None\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by Jerry Gipson, February, 2004\nC\nC**********************************************************************\n USE ENV_VARS\n USE GLOBAL_DATA\n USE RXNS_DATA\n\n IMPLICIT NONE\n\nC..INCLUDES: \n\n \nC..ARGUMENTS: None\n\nC..PARAMETERS:\n\nC..EXTERNAL FUNCTIONS:\n INTEGER JUNIT ! gets unit no.\n! INTEGER NAME_INDEX ! find position of string in list\n\nC..SAVED LOCAL VARIABLES: None\n \nC..SCRATCH LOCAL VARIABLES:\n CHARACTER( 16 ) :: PNAME = 'WR_INIT' ! Program name\n CHARACTER( 256 ) :: MSG ! Message text\n CHARACTER( 100 ) :: LINEIN ! Input line\n CHARACTER( 16 ) :: SPOUT ! Ouput species\n CHARACTER( 16 ) :: SPEC \n CHARACTER( 256 ) :: FNAME ! Name of file to open\n CHARACTER( 72 ) :: CLINE ! Line of c's\n CHARACTER( 7 ) :: LOW_TOL = '1.0D+00' ! Low tolerance \n CHARACTER( 7 ) :: STD_TOL = '5.0D-04' ! Standard tolerance \n CHARACTER( 7 ) :: HII_TOL = '1.0D-05' ! High or tight tolerance\n\n \n\n INTEGER :: EPOS ! end pos of string\n INTEGER :: IND ! array index\n INTEGER :: IIN ! Unit no. of input file\n INTEGER :: IOUT ! Unit no. of output file\n INTEGER :: N, S ! Loop indices\n INTEGER :: NSPEC ! \n\n LOGICAL :: LFLAG\n\n LOGICAL :: LOUT1 = .FALSE. ! Flag for group 1 output processed\n LOGICAL :: LOUT2 = .FALSE. ! Flag for group 2 output processed\n LOGICAL :: LOUT3 = .FALSE. ! Flag for group 3 output processed\n LOGICAL :: LOUT4 = .FALSE. ! Flag for group 4 output processed\n LOGICAL :: LOUT5 = .FALSE. ! Flag for group 5 output processed\n\n\nC**********************************************************************\n\n DO N = 1, 72\n CLINE( N : N ) = 'c'\n END DO\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Open ouput file and code template \nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n EPOS = LEN_TRIM( OUTPATH )\n\n FNAME = OUTPATH( 1 : EPOS ) // '/hrinit.F' \n\n IOUT = JUNIT()\n\n OPEN( UNIT = IOUT, FILE = FNAME, ERR = 9000 )\n\n\n IIN = JUNIT()\n\n EPOS = LEN_TRIM( TMPLPATH )\n\n FNAME = TMPLPATH( 1 : EPOS ) // '/hrinit.F' \n\n OPEN( UNIT = IIN, FILE = FNAME, ERR = 9000 )\n\n\n IF( LWR_COPY ) CALL WR_COPYRT( IOUT )\n\n IF( LWR_CVS_HDR ) CALL WR_CVSHDR( IOUT )\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Read, modify, and write code from template\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n 100 CONTINUE\n\n READ( IIN, 92000, END = 1000 ) LINEIN\n\n IF( LINEIN( 1 : 1 ) .NE. 'R' ) THEN\n\n WRITE( IOUT, 92000 ) LINEIN( 1 : LEN_TRIM( LINEIN ) )\n\n ELSE\n\n IF( LINEIN( 2 : 2 ) .EQ. '1' .AND. .NOT. LOUT1 ) THEN\n\n WRITE( IOUT, 93000 ) TRIM( MECHNAME )\n\n LOUT1 = .TRUE. \n\n ELSEIF( LINEIN( 2 : 2 ) .EQ. '2' .AND. .NOT. LOUT2 ) THEN\n\n WRITE( IOUT, 93020 ) CR_DATE( 1 : LEN_TRIM( CR_DATE ) )\n\n LOUT2 = .TRUE. \n\n ELSEIF( LINEIN( 2 : 2 ) .EQ. '3' .AND. .NOT. LOUT3 ) THEN\n\n WRITE( IOUT, 93025 ) NSPECIAL\n\n LOUT3 = .TRUE. \n\n ELSEIF( LINEIN( 2 : 2 ) .EQ. '4' .AND. .NOT. LOUT4 ) THEN\n\n IF( LPAR_NEG ) WRITE( IOUT, 93040 ) \n IF( N_SS_SPC .GT. 0 ) WRITE( IOUT, 93045 )\n\n LOUT4 = .TRUE.\n\n ELSEIF( LINEIN( 2 : 2 ) .EQ. '5' .AND. .NOT. LOUT5 ) THEN\n\n IF( LDEGRADE_SUBS ) WRITE( IOUT, 93046 ) LINEIN( 3 : LEN_TRIM( LINEIN ) )\n\n LOUT5 = .FALSE.\n\n END IF\n\n END IF\n\n GO TO 100\n\n 1000 CONTINUE\n\n\nCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC\nC Write first section for one mech\nCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC\n\n! WRITE( IOUT, 92000 ) CLINE\n! WRITE( IOUT, 93100 )\n! WRITE( IOUT, 92000 ) CLINE\n\nc..create indices for all mechanism species\n! DO N = 1, N_SPECIES\n! SPOUT = ' ' \n! EPOS = LEN_TRIM( SPECIES( N ) )\n! SPOUT( 1 : EPOS ) = SPECIES( N )( 1 : EPOS ) \n! WRITE( IOUT, 93120 ) SPOUT( 1 : CL ), N\n! END DO\n\n\n IF( N_SS_SPC .EQ. 0 ) THEN ! no ss species in mech\n\nc..form ebi species array (all species except those in groups 1-4) \n WRITE( IOUT, 93140 ) N_GC_EBI\n\n IND = 0\n DO N = 1, N_SPECIES\n IF( L_GC_EBI( N ) ) THEN\n IND = IND + 1\n WRITE( IOUT, 93160 ) IND, SPECIES( N )\n & ( 1 : LEN_TRIM( SPECIES( N ) ) )\n END IF\n END DO\n\n ELSE ! some species in mech are in ss\n\nc..form ebi species array ( no SS species, no group species )\n WRITE( IOUT, 93140 ) ( N_GC_EBI - N_SS_SPC )\n IND = 0\n DO N = 1, N_SPECIES\n IF( NAME_INDEX( SPECIES( N ), N_SS_SPC, SS_SPC) .EQ. 0 .AND.\n & L_GC_EBI( N ) ) THEN \n IND = IND + 1\n WRITE( IOUT, 93160 ) IND, SPECIES( N )\n & ( 1 : LEN_TRIM( SPECIES( N ) ) )\n END IF\n END DO \n\nc..form ss species array \n WRITE( IOUT, 93180 ) \n IND = 0\n DO N = 1, N_SS_SPC\n IND = IND + 1 \n WRITE( IOUT, 93200 ) IND, \n & SS_SPC( N )( 1 : LEN_TRIM( SS_SPC( N ) ) )\n END DO \n\nc..form active species array ( all species except SS species ) \n WRITE( IOUT, 93220 ) N_SPECIES - N_SS_SPC\n IND = 0\n DO N = 1, N_SPECIES\n IF( NAME_INDEX( SPECIES( N ), N_SS_SPC, SS_SPC ) .EQ. 0 ) THEN \n IND = IND + 1\n WRITE( IOUT, 93240 ) IND, \n & SPECIES( N )( 1 : LEN_TRIM( SPECIES( N ) ) )\n END IF\n END DO \n \n END IF ! N_SS_SPC > 0\n\n \nCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC\nC Write tolerance section\nCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC\n\n WRITE( IOUT, 92020 )\n WRITE( IOUT, 92000 ) CLINE\n WRITE( IOUT, 95000 )\n WRITE( IOUT, 92000 ) CLINE\n\n\n\n DO N = 1, N_SPECIES\n\n IF( L_LOW_TOL_SPC( N ) ) THEN\n WRITE( IOUT, 95020 ) SPECIES( N )( 1 : CL ), LOW_TOL\n ELSEIF( L_HII_TOL_SPC( N ) ) THEN\n WRITE( IOUT, 95020 ) SPECIES( N )( 1 : CL ), HII_TOL\n ELSE\n WRITE( IOUT, 95020 ) SPECIES( N )( 1 : CL ), STD_TOL\n END IF\n\n END DO\n\n\n WRITE( IOUT, 96000 )\n\n CLOSE( IIN )\n\n CLOSE( IOUT )\n\n NOUTFLS = NOUTFLS + 1\n OUTFLNAM( NOUTFLS ) = 'hrinit.F'\n\n\n RETURN \n\n 9000 MSG = 'ERROR: Could not open ' // FNAME( 1 : LEN_TRIM( FNAME ) )\n\n WRITE(LOGDEV,'(a)')TRIM( PNAME ) // ': ' // TRIM( MSG )\n STOP\n \n92000 FORMAT( A )\n92020 FORMAT( / )\n\n93000 FORMAT( 'C PRECONDITIONS: For the ', A, ' mechanism' )\n93020 FORMAT( 'C REVISION HISTORY: Created by EBI solver program, ', A )\n93025 FORMAT( 6X, 'N_SPCL_RKS = ', I3 )\n\n93040 FORMAT( 5X, '& PNEG( N_SPEC),' )\n\n93045 FORMAT( 6X, 'ALLOCATE( RKI_SAV( MAX_CELLS_EBI, NRXNS ) )' )\n\n93100 FORMAT( 'c Set species indices and pointers' )\n93120 FORMAT( 6X, A, ' = ', I3 )\n\n93139 FORMAT( /'c..Allocate and define ebi species' / \n & 6X, 'N_EBISP = ', I3 /\n & 6X, 'ALLOCATE( EBISP( N_EBISP ) ) ' / )\n\n93140 FORMAT( /'c..Allocate and define ebi species' /\n & /6X, 'N_EBISP = ', I3 /\n & 6X, 'ALLOCATE( EBISP( N_EBISP ), STAT = IOS ) ' /\n & 6X, 'IF ( IOS .NE. 0 ) THEN' /\n & 6X, \" MSG = 'Error allocating EBISP' \" /\n & 6X, ' CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )' /\n & 6X, 'END IF' / )\n\n93160 FORMAT( 6X, 'EBISP( ', I3, ' ) = ', A )\n\n93180 FORMAT( /'c..Allocate and define steady-state species' /\n & 6X, 'ALLOCATE( SSASP( N_SS_SPC ) ) ' / )\n93200 FORMAT( 6X, 'SSASP( ', I3, ' ) = ', A )\n\n93220 FORMAT( /'c..Allocate and define active mechanism species' /\n & 6X, 'N_ACTSP = ', I3 /\n & 6X, 'ALLOCATE( ACTSP( N_ACTSP ) ) ' / )\n93240 FORMAT( 6X, 'ACTSP( ', I3, ' ) = ', A )\n\n\n94000 FORMAT( 'c Set species indices for gas-phase only version' )\n94020 FORMAT( 'c Set species indices for gas-phase plus aerosol only version' )\n94040 FORMAT( 'c Set species indices for gas-phase plus AQ chemistry version' )\n94060 FORMAT( 'c Set species indices for gas-phase plus ',\n & ' aerosol plus AQ chem version' )\n\n94100 FORMAT( 6X, 'IF( .NOT. L_AQ_VRSN .AND. .NOT. L_AE_VRSN ) THEN'/ )\n94120 FORMAT( 6X, 'IF( L_AE_VRSN .AND. .NOT. L_AQ_VRSN ) THEN' / )\n94140 FORMAT( 6X, 'IF( .NOT. L_AE_VRSN .AND. L_AQ_VRSN ) THEN' / )\n94160 FORMAT( 6X, 'IF( L_AE_VRSN .AND. L_AQ_VRSN ) THEN' / )\n94180 FORMAT( 9X, A, ' = ', I3 )\n94200 FORMAT( /9X, 'N_EBISP = ', I3 /\n & 9X, 'ALLOCATE( EBISP( N_EBISP ), STAT = IOS ) ' /\n & 9X, 'IF ( IOS .NE. 0 ) THEN' /\n & 9X, \" MSG = 'Error allocating EBISP' \" /\n & 9X, ' CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )' /\n & 9x, 'END IF' )\n94220 FORMAT( 9X, 'EBISP( ', I3, ' ) = ', A )\n94240 FORMAT( /6X, 'END IF' )\n\n95000 FORMAT( 'c Set species tolerances' )\n95020 FORMAT( 6X, 'RTOL( ', A, ' ) = ', A )\n95040 FORMAT( /6X, 'IF( L_AE_VRSN ) THEN' / )\n93046 FORMAT( 2X, A )\n95060 FORMAT( /6X, 'IF( L_AQ_VRSN ) THEN' / )\n95080 FORMAT( 9X, 'RTOL( ', A, ' ) = ', A )\n\n96000 FORMAT( //6X, 'RETURN' // 6X, 'END' )\n \n END\n\n" }, { "path": "UTIL/create_ebi/src/wr_prodloss.F", "content": " SUBROUTINE WR_PRODLOSS\n\nC**********************************************************************\nC\nC FUNCTION: Create source code for the hrprodloss subroutine in EBI\nC\nC PRECONDITIONS: None\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by Jerry Gipson, March, 2004\nC\nC**********************************************************************\n USE ENV_VARS\n USE GLOBAL_DATA\n !!USE M3UTILIO ! IOAPI parameters and declarations\n USE RXNS_DATA\n\n IMPLICIT NONE\n\nC..INCLUDES: \n \nC..ARGUMENTS: None\n\nC..PARAMETERS:\n INTEGER, PARAMETER :: GRPNO = 5\n\nC..EXTERNAL FUNCTIONS:\n INTEGER JUNIT ! gets unit no.\n! INTEGER NAME_INDEX ! find position of string in list\n\nC..SAVED LOCAL VARIABLES: None\n \nC..SCRATCH LOCAL VARIABLES:\n CHARACTER( 16 ) :: PNAME = 'WR_PRODLOSS'! Program name\n CHARACTER( 256 ) :: MSG ! Message text\n CHARACTER( 100 ) :: LINEIN ! Input line\n CHARACTER( 256 ) :: LINOUT\n CHARACTER( 16 ) :: SPOUT ! Ouput species\n CHARACTER( 16 ) :: SPEC \n CHARACTER( 40 ) :: VNAME \n CHARACTER( 256 ) :: FNAME ! Name of file to open\n CHARACTER( 72 ) :: CLINE ! Line of c's\n\n \n\n INTEGER :: E1, E2 ! end pos of string\n INTEGER :: IND ! array index\n INTEGER :: IIN ! Unit no. of input file\n INTEGER :: IOUT ! Unit no. of output file\n INTEGER :: N, S ! Loop indices\n INTEGER :: NPOS ! Reaction index\n INTEGER :: RPOS1 !\n INTEGER :: RPOS2 !\n INTEGER :: PPOS1 !\n INTEGER :: PPOS2 !\n\n LOGICAL :: LRXN1\n\n REAL( 8 ) :: COEFF\n REAL( 8 ) :: RCOEF\n REAL( 8 ) :: YCOEF\n\nC**********************************************************************\n\n DO N = 1, 72\n CLINE( N : N ) = 'c'\n END DO\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Open ouput file and code template \nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n E1 = LEN_TRIM( OUTPATH )\n\n FNAME = OUTPATH( 1 : E1 ) // '/hrprodloss.F' \n\n IOUT = JUNIT()\n\n OPEN( UNIT = IOUT, FILE = FNAME, ERR = 9000 )\n\n\n IIN = JUNIT()\n\n E1 = LEN_TRIM( TMPLPATH )\n\n FNAME = TMPLPATH( 1 : E1 ) // '/hrprodloss.F' \n\n OPEN( UNIT = IIN, FILE = FNAME, ERR = 9000 )\n\n\n IF( LWR_COPY ) CALL WR_COPYRT( IOUT )\n\n IF( LWR_CVS_HDR ) CALL WR_CVSHDR( IOUT )\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Read, modify, and write first part of code from template\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n 100 CONTINUE\n\n READ( IIN, 92000, END = 1000 ) LINEIN\n\n IF( LINEIN( 1 : 2 ) .EQ. 'R1' ) THEN\n\n WRITE( IOUT, 93000 ) TRIM( MECHNAME )\n\n GO TO 100\n\n ELSEIF( LINEIN( 1 : 2 ) .EQ. 'R2' ) THEN\n\n WRITE( IOUT, 93020 ) CR_DATE( 1 : LEN_TRIM( CR_DATE ) )\n\n GO TO 100\n\n ELSEIF( LINEIN( 1 : 2 ) .EQ. 'S1' ) THEN\n\n GO TO 1000\n\n ELSE\n\n E1 = LEN_TRIM( LINEIN )\n\n WRITE( IOUT, 92000 ) LINEIN( 1 : E1 )\n\n GO TO 100\n\n END IF\n \n 1000 CONTINUE\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Output prod loss terms for gas-phase EBI species\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n DO S = 1, N_SPECIES\n\n IF( .NOT. L_GC_EBI( S ) ) CYCLE ! Skip non-EBI species\n\n IF( .NOT. L_GC_ONLY_SPC( S ) ) CYCLE ! Skip non gas-only species\n\n \n IF( N_SS_SPC .GT. 0 ) THEN ! Skip SS species\n IF( NAME_INDEX( SPECIES( S ), N_SS_SPC, SS_SPC ) .NE. 0 ) CYCLE\n END IF\n\n WRITE( IOUT, 92000 )\n\n SPEC = ADJUSTL( SPECIES( S ) )\n\n VNAME = 'PROD( ' // SPEC( 1 : CL ) // ' )'\n\n\nc..production terms\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n\n CALL SUM_COEFF( RCOEF, 'R', S, N )\n CALL SUM_COEFF( YCOEF, 'P', S, N )\n\n IF( YCOEF .LE. RCOEF ) CYCLE\n\n COEFF = YCOEF - RCOEF\n \n NPOS = 30\n RPOS1 = 0\n RPOS2 = 0\n PPOS1 = S\n PPOS2 = 0\n\n CALL BLD_OUTLINE( 'RXRAT', VNAME, ' ', 0, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n LRXN1 = .FALSE.\n \n END DO\n\n IF( LRXN1 ) THEN\n\n E2 = LEN_TRIM( VNAME )\n LINOUT = ' ' // VNAME( 1 : E2 ) // ' = 0.0D0'\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n END IF\n\n\nc..loss terms\n\n VNAME = 'LOSS( ' // SPEC( 1 : CL ) // ' )'\n\n\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n\n CALL SUM_COEFF( RCOEF, 'R', S, N )\n CALL SUM_COEFF( YCOEF, 'P', S, N )\n\n IF( RCOEF .LE. YCOEF ) CYCLE\n\n COEFF = RCOEF - YCOEF\n \n NPOS = 30\n RPOS1 = S\n RPOS2 = 0\n PPOS1 = S\n PPOS2 = 0\n\n\n CALL BLD_OUTLINE( 'RXRAT', VNAME, ' ', 0, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n LRXN1 = .FALSE.\n \n END DO\n\n IF( LRXN1 ) THEN\n\n E2 = LEN_TRIM( VNAME )\n LINOUT = ' ' // VNAME( 1 : E2 ) // ' = 0.0D0'\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n END IF\n\n END DO\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Production/loss terms for AE species\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF( N_AE_SPC .GT. 0 ) THEN\n\n LINOUT = ' IF( L_AE_VRSN ) THEN' \n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n \n DO S = 1, N_AE_SPC\n\n IND = NAME_INDEX( AE_SPC( S ) , N_SPECIES, SPECIES )\n\n WRITE( IOUT, 92000 )\n\n SPEC = ADJUSTL( AE_SPC( S ) )\n\n VNAME = ' PROD( ' // SPEC( 1 : CL ) // ' )'\n\n\nc..production terms\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n\n CALL SUM_COEFF( RCOEF, 'R', IND, N )\n CALL SUM_COEFF( YCOEF, 'P', IND, N )\n\n IF( YCOEF .LE. RCOEF ) CYCLE\n\n COEFF = YCOEF - RCOEF\n \n NPOS = 30\n RPOS1 = 0\n RPOS2 = 0\n PPOS1 = IND\n PPOS2 = 0\n\n CALL BLD_OUTLINE( 'RXRAT', VNAME, ' ', 0, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n LRXN1 = .FALSE.\n \n END DO\n\n IF( LRXN1 ) THEN\n\n E2 = LEN_TRIM( VNAME )\n LINOUT = ' ' // VNAME( 1 : E2 ) // ' = 0.0D0'\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n END IF\n\n\nc..loss terms\n\n VNAME = ' LOSS( ' // SPEC( 1 : CL ) // ' )'\n\n\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n\n CALL SUM_COEFF( RCOEF, 'R', IND, N )\n CALL SUM_COEFF( YCOEF, 'P', IND, N )\n\n IF( RCOEF .LE. YCOEF ) CYCLE\n\n COEFF = RCOEF - YCOEF\n \n NPOS = 30\n RPOS1 = IND\n RPOS2 = 0\n PPOS1 = IND\n PPOS2 = 0\n\n\n CALL BLD_OUTLINE( 'RXRAT', VNAME, ' ', 0, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n LRXN1 = .FALSE.\n \n END DO\n\n IF( LRXN1 ) THEN\n\n E2 = LEN_TRIM( VNAME )\n LINOUT = ' ' // VNAME( 1 : E2 ) // ' = 0.0D0'\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n END IF\n\n END DO\n\n LINOUT = ' END IF' \n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n END IF\n\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Production/loss terms for AQ species\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF( N_AQ_SPC .GT. 0 ) THEN\n\n LINOUT = ' IF( L_AQ_VRSN ) THEN' \n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n \n DO S = 1, N_AQ_SPC\n\n IND = NAME_INDEX( AQ_SPC( S ) , N_SPECIES, SPECIES )\n\n WRITE( IOUT, 92000 )\n\n SPEC = ADJUSTL( AQ_SPC( S ) )\n\n VNAME = ' PROD( ' // SPEC( 1 : CL ) // ' )'\n\n\nc..production terms\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n\n CALL SUM_COEFF( RCOEF, 'R', IND, N )\n CALL SUM_COEFF( YCOEF, 'P', IND, N )\n\n IF( YCOEF .LE. RCOEF ) CYCLE\n\n COEFF = YCOEF - RCOEF\n \n NPOS = 30\n RPOS1 = 0\n RPOS2 = 0\n PPOS1 = IND\n PPOS2 = 0\n\n CALL BLD_OUTLINE( 'RXRAT', VNAME, ' ', 0, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n LRXN1 = .FALSE.\n \n END DO\n\n IF( LRXN1 ) THEN\n\n E2 = LEN_TRIM( VNAME )\n LINOUT = ' ' // VNAME( 1 : E2 ) // ' = 0.0D0'\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n END IF\n\n\nc..loss terms\n\n VNAME = ' LOSS( ' // SPEC( 1 : CL ) // ' )'\n\n\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n\n CALL SUM_COEFF( RCOEF, 'R', IND, N )\n CALL SUM_COEFF( YCOEF, 'P', IND, N )\n\n IF( RCOEF .LE. YCOEF ) CYCLE\n\n COEFF = RCOEF - YCOEF\n \n NPOS = 30\n RPOS1 = IND\n RPOS2 = 0\n PPOS1 = IND\n PPOS2 = 0\n\n\n CALL BLD_OUTLINE( 'RXRAT', VNAME, ' ', 0, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n LRXN1 = .FALSE.\n \n END DO\n\n IF( LRXN1 ) THEN\n\n E2 = LEN_TRIM( VNAME )\n LINOUT = ' ' // VNAME( 1 : E2 ) // ' = 0.0D0'\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n END IF\n\n END DO\n\n LINOUT = ' END IF' \n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n END IF\n\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Production terms for negative stoichiometry\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF( LPAR_NEG ) THEN\n\n WRITE( IOUT, 92000 )\n\n S = NAME_INDEX( 'PAR', N_SPECIES, SPECIES )\n\n VNAME = 'PNEG( PAR )'\n\nc..production terms\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n\n CALL SUM_COEFF( RCOEF, 'R', S, N )\n CALL SUM_COEFF( YCOEF, 'P', S, N )\n\n IF( YCOEF .GE. 0.0 ) CYCLE\n \n IF( RCOEF - ABS( YCOEF ) .GE. 0.0D0 ) CYCLE\n\n COEFF = ABS( YCOEF )\n \n NPOS = 30\n RPOS1 = 0\n RPOS2 = 0\n PPOS1 = S\n PPOS2 = 0\n\n CALL BLD_OUTLINE( 'RXRAT', VNAME, ' ', 0, COEFF, N, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n LRXN1 = .FALSE.\n \n END DO\n\n IF( LRXN1 ) THEN\n\n E2 = LEN_TRIM( VNAME )\n LINOUT = ' ' // VNAME( 1 : E2 ) // ' = 0.0D0'\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n END IF\n\n END IF\n\n WRITE( IOUT, 97000 )\n\n CLOSE( IIN )\n\n CLOSE( IOUT )\n\n NOUTFLS = NOUTFLS + 1\n OUTFLNAM( NOUTFLS ) = 'hrprodloss.F'\n\n\n RETURN \n\n 9000 MSG = 'ERROR: Could not open ' // FNAME( 1 : LEN_TRIM( FNAME ) )\n\n WRITE(LOGDEV,'(a)')TRIM( PNAME ) // ': ' // TRIM( MSG )\n STOP\n \n92000 FORMAT( A )\n92020 FORMAT( / )\n\n93000 FORMAT( 'C PRECONDITIONS: For the ', A, ' mechanism' )\n93020 FORMAT( 'C REVISION HISTORY: Created by EBI solver program, ', A )\n96000 FORMAT( //6X, 'RETURN' // 6X, 'END' )\n\n97000 FORMAT( /\n & ' RETURN' //\n & ' END' )\n \n END\n\n" }, { "path": "UTIL/create_ebi/src/wr_rates.F", "content": " SUBROUTINE WR_RATES\n\nC**********************************************************************\nC\nC FUNCTION: Create source code for the hrrates subroutine in EBI\nC\nC PRECONDITIONS: None\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by Jerry Gipson, March, 2004\nC\nC Nov. 17 2005:WHUTZELL changed writing of rate so the length of species\nC name is used not maximum of all species names\nC\nC**********************************************************************\n USE ENV_VARS\n USE GLOBAL_DATA\n !!USE M3UTILIO ! IOAPI parameters and declarations\n USE RXNS_DATA\n\n IMPLICIT NONE\n\nC..INCLUDES: \n \nC..ARGUMENTS: None\n\nC..PARAMETERS:\n\nC..EXTERNAL FUNCTIONS:\n INTEGER JUNIT ! gets unit no.\n! INTEGER NAME_INDEX ! find position of string in list\n\nC..SAVED LOCAL VARIABLES: None\n \nC..SCRATCH LOCAL VARIABLES:\n CHARACTER( 16 ) :: PNAME = 'WR_RATES' ! Program name\n CHARACTER( 256 ) :: MSG ! Message text\n CHARACTER( 256 ) :: LINEIN ! Input line\n CHARACTER( 256 ) :: LINOUT\n CHARACTER( 16 ) :: SPOUT ! Ouput species\n CHARACTER( 16 ) :: SPEC \n CHARACTER( 30 ) :: VNAME \n CHARACTER( 256 ) :: FNAME ! Name of file to open\n CHARACTER( 72 ) :: CLINE ! Line of c's\n CHARACTER( 5 ) :: RNUM\n\n \n\n INTEGER :: E1, E2 ! end pos of string\n INTEGER :: IND1 ! array index\n INTEGER :: IND2 ! array index\n INTEGER :: IND3 ! array index\n INTEGER :: IIN ! Unit no. of input file\n INTEGER :: IOUT ! Unit no. of output file\n INTEGER :: N, S ! Loop indices\n INTEGER :: NPOS ! Reaction index\n INTEGER :: RPOS1 !\n INTEGER :: RPOS2 !\n INTEGER :: PPOS1 !\n INTEGER :: PPOS2 !\n\n LOGICAL :: LRXN1\n\n REAL :: COEFF\n REAL :: RCOEF\n REAL :: YCOEF\n\nC**********************************************************************\n\n DO N = 1, 72\n CLINE( N : N ) = 'c'\n END DO\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Open ouput file and code template \nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n E1 = LEN_TRIM( OUTPATH )\n\n FNAME = OUTPATH( 1 : E1 ) // '/hrrates.F' \n\n IOUT = JUNIT()\n\n OPEN( UNIT = IOUT, FILE = FNAME, ERR = 9000 )\n\n\n IIN = JUNIT()\n\n E1 = LEN_TRIM( TMPLPATH )\n\n FNAME = TMPLPATH( 1 : E1 ) // '/hrrates.F' \n\n OPEN( UNIT = IIN, FILE = FNAME, ERR = 9000 )\n\n\n IF( LWR_COPY ) CALL WR_COPYRT( IOUT )\n\n IF( LWR_CVS_HDR ) CALL WR_CVSHDR( IOUT )\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Read, modify, and write first part of code from template\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n 100 CONTINUE\n\n READ( IIN, 92000, END = 1000 ) LINEIN\n\n IF( LINEIN( 1 : 2 ) .EQ. 'R1' ) THEN\n\n WRITE( IOUT, 93000 ) TRIM( MECHNAME )\n\n GO TO 100\n\n ELSEIF( LINEIN( 1 : 2 ) .EQ. 'R2' ) THEN\n\n WRITE( IOUT, 93020 ) CR_DATE( 1 : LEN_TRIM( CR_DATE ) )\n\n GO TO 100\n\n ELSEIF( LINEIN( 1 : 2 ) .EQ. 'S1' ) THEN\n\n GO TO 1000\n\n ELSE\n\n E1 = LEN_TRIM( LINEIN )\n\n WRITE( IOUT, 92000 ) LINEIN( 1 : E1 )\n\n GO TO 100\n\n END IF\n \n 1000 CONTINUE\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Write reactions for gas-phase only portion of mechanism\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n WRITE( IOUT, 94000 ) \n\n DO N = 1, NRXNS\n\n IND1 = 0\n IND2 = 0\n IND3 = 0\n\n IF( N_AE_SPC .GT. 0 .AND. N_AQ_SPC .GT. 0 )THEN\n IF( IRR( N, 1 ) .NE. 0 )\n & IND1 = MAX( NAME_INDEX( SPECIES( IRR( N, 1 ) ), N_AE_SPC, AE_SPC ),\n & NAME_INDEX( SPECIES( IRR( N, 1 ) ), N_AQ_SPC, AQ_SPC ) )\n\n IF( IRR( N, 2 ) .NE. 0 )\n & IND2 = MAX( NAME_INDEX( SPECIES( IRR( N, 1 ) ), N_AE_SPC, AE_SPC ),\n & NAME_INDEX( SPECIES( IRR( N, 1 ) ), N_AQ_SPC, AQ_SPC ) )\n\n IF( IRR( N, 2 ) .NE. 0 )\n & IND2 = MAX( NAME_INDEX( SPECIES( IRR( N, 1 ) ), N_AE_SPC, AE_SPC ),\n & NAME_INDEX( SPECIES( IRR( N, 1 ) ), N_AQ_SPC, AQ_SPC ) )\n END IF\n\nc..skip rxn if any reactant is a AE or AQ species\n IF( IND1 .NE. 0 .OR. IND2 .NE. 0 .OR. IND3 .NE. 0 ) CYCLE \n\n WRITE( RNUM, '( I5 )' ) N\n\n LINOUT = ' RXRAT( ' // RNUM // ' ) = RKI( ' // RNUM //\n & ' )'\n\n E1 = LEN_TRIM( LINOUT )\n\n\n DO S = 1, NREACT( N )\n IF( IRR( N, S ) .NE. 0 ) THEN\n SPEC = ADJUSTL( SPECIES( IRR( N, S ) ) )\n E2 = LEN_TRIM( SPEC )\n LINOUT = LINOUT( 1 : E1 ) // ' * YC( ' // SPEC( 1 : E2 ) //\n & ' )'\n E1 = LEN_TRIM( LINOUT )\n END IF\n END DO\n\n IF( .NOT. L_RXFLAG( N ) ) LINOUT( 1 : 1 ) = '!'\n IF( L_SS_RXN_FLAG( N ) ) LINOUT( 1 : 1 ) = '!'\n\n \n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n END DO\n\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Write reactions for AE only portion of mechanism\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n\n IND1 = 0\n IND2 = 0\n IND3 = 0\n\n IF( N_AE_SPC .GT. 0 )THEN\n IF( IRR( N, 1 ) .NE. 0 )\n & IND1 = NAME_INDEX( SPECIES( IRR( N, 1 ) ), N_AE_SPC, AE_SPC )\n\n IF( IRR( N, 2 ) .NE. 0 )\n & IND2 = NAME_INDEX( SPECIES( IRR( N, 1 ) ), N_AE_SPC, AE_SPC )\n\n IF( IRR( N, 3 ) .NE. 0 )\n & IND3 = NAME_INDEX( SPECIES( IRR( N, 1 ) ), N_AE_SPC, AE_SPC )\n END IF\n\n\nc..do rxn if any reactant is a AE or AQ species\n IF( IND1 .NE. 0 .OR. IND2 .NE. 0 .OR. IND3 .NE. 0 ) THEN \n\n IF( LRXN1 ) THEN\n\n WRITE( IOUT, 95000 )\n\n LRXN1 = .FALSE.\n\n END IF\n\n WRITE( RNUM, '( I5 )' ) N\n\n LINOUT = ' RXRAT( ' // RNUM // ' ) = RKI( ' // RNUM //\n & ' )'\n\n E1 = LEN_TRIM( LINOUT )\n\n\n DO S = 1, NREACT( N )\n IF( IRR( N, S ) .NE. 0 ) THEN\n SPEC = ADJUSTL( SPECIES( IRR( N, S ) ) )\n LINOUT = LINOUT( 1 : E1 ) // ' * YC( ' // SPEC( 1 : CL ) //\n & ' )'\n E1 = LEN_TRIM( LINOUT )\n END IF\n END DO\n \n IF( .NOT. L_RXFLAG( N ) ) LINOUT( 1 : 1 ) = '!'\n IF( L_SS_RXN_FLAG( N ) ) LINOUT( 1 : 1 ) = '!'\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n END IF\n\n END DO\n\n IF( .NOT. LRXN1 ) WRITE( IOUT, 95020 )\n\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Write reactions for AQ only portion of mechanism\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n\n IND1 = 0\n IND2 = 0\n IND3 = 0\n\n IF( N_AQ_SPC .GT. 0 )THEN\n IF( IRR( N, 1 ) .NE. 0 )\n & IND1 = NAME_INDEX( SPECIES( IRR( N, 1 ) ), N_AQ_SPC, AQ_SPC )\n\n IF( IRR( N, 2 ) .NE. 0 )\n & IND2 = NAME_INDEX( SPECIES( IRR( N, 1 ) ), N_AQ_SPC, AQ_SPC )\n\n IF( IRR( N, 3 ) .NE. 0 )\n & IND3 = NAME_INDEX( SPECIES( IRR( N, 1 ) ), N_AQ_SPC, AQ_SPC )\n END IF\n\n\n\nc..do rxn if any reactant is a AE or AQ species\n IF( IND1 .NE. 0 .OR. IND2 .NE. 0 .OR. IND3 .NE. 0 ) THEN \n\n IF( LRXN1 ) THEN\n\n WRITE( IOUT, 95040 )\n\n LRXN1 = .FALSE.\n\n END IF\n\n WRITE( RNUM, '( I5 )' ) N\n\n LINOUT = ' RXRAT( ' // RNUM // ' ) = RKI( ' // RNUM //\n & ' )'\n\n E1 = LEN_TRIM( LINOUT )\n\n\n DO S = 1, NREACT( N )\n IF( IRR( N, S ) .NE. 0 ) THEN\n SPEC = ADJUSTL( SPECIES( IRR( N, S ) ) )\n LINOUT = LINOUT( 1 : E1 ) // ' * YC( ' // SPEC( 1 : CL ) //\n & ' )'\n E1 = LEN_TRIM( LINOUT )\n END IF\n END DO\n \n IF( .NOT. L_RXFLAG( N ) ) LINOUT( 1 : 1 ) = '!'\n IF( L_SS_RXN_FLAG( N ) ) LINOUT( 1 : 1 ) = '!'\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n END IF\n\n\n END DO\n\n IF( .NOT. LRXN1 ) WRITE( IOUT, 95020 )\n\n\n WRITE( IOUT, 96000 )\n\n CLOSE( IIN )\n\n CLOSE( IOUT )\n\n NOUTFLS = NOUTFLS + 1\n OUTFLNAM( NOUTFLS ) = 'hrrates.F'\n\n\n RETURN \n\n 9000 MSG = 'ERROR: Could not open ' // FNAME( 1 : LEN_TRIM( FNAME ) )\n\n WRITE(LOGDEV,'(a)')TRIM( PNAME ) // ': ' // TRIM( MSG )\n STOP\n \n92000 FORMAT( A )\n92020 FORMAT( / )\n\n\n\n\n93000 FORMAT( 'C PRECONDITIONS: For the ', A, ' mechanism' )\n93020 FORMAT( 'C REVISION HISTORY: Created by EBI solver program, ', A )\n\n94000 FORMAT(\n & 'C..NOTE: RXRAT commented out are not referenced by any routine' )\n\n95000 FORMAT(/ \n & ' IF( L_AE_VRSN ) THEN' / )\n\n95020 FORMAT(/\n & ' END IF' )\n\n\n95040 FORMAT(/\n & ' IF( L_AQ_VRSN ) THEN' / )\n\n\n96000 FORMAT( //6X, 'RETURN' // 6X, 'END' )\n\n \n END\n\n" }, { "path": "UTIL/create_ebi/src/wr_rates.F_orig", "content": " SUBROUTINE WR_RATES\n\nC**********************************************************************\nC\nC FUNCTION: Create source code for the hrrates subroutine in EBI\nC\nC PRECONDITIONS: None\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by Jerry Gipson, March, 2004\nC\nC**********************************************************************\n USE ENV_VARS\n USE GLOBAL_DATA\n\n IMPLICIT NONE\n\nC..INCLUDES: \n INCLUDE SUBST_IOPARMS ! IOAPI parameters\n INCLUDE SUBST_IODECL ! IOAPI declarations\n INCLUDE SUBST_GC_SPC ! Mechanism gas-phase species\n INCLUDE SUBST_RXCMMN ! Mechanism data\n \nC..ARGUMENTS: None\n\nC..PARAMETERS:\n\nC..EXTERNAL FUNCTIONS:\n INTEGER JUNIT ! gets unit no.\n INTEGER INDEX1 ! find position of string in list\n\nC..SAVED LOCAL VARIABLES: None\n \nC..SCRATCH LOCAL VARIABLES:\n CHARACTER( 16 ) :: PNAME = 'WR_RATES' ! Program name\n CHARACTER( 256 ) :: MSG ! Message text\n CHARACTER( 100 ) :: LINEIN ! Input line\n CHARACTER( 100 ) :: LINOUT\n CHARACTER( 16 ) :: SPOUT ! Ouput species\n CHARACTER( 16 ) :: SPEC \n CHARACTER( 30 ) :: VNAME \n CHARACTER( 256 ) :: FNAME ! Name of file to open\n CHARACTER( 72 ) :: CLINE ! Line of c's\n CHARACTER( 3 ) :: RNUM\n\n \n\n INTEGER :: E1, E2 ! end pos of string\n INTEGER :: IND1 ! array index\n INTEGER :: IND2 ! array index\n INTEGER :: IND3 ! array index\n INTEGER :: IIN ! Unit no. of input file\n INTEGER :: IOUT ! Unit no. of output file\n INTEGER :: LOGDEV ! Unit no. of logdev\n INTEGER :: N, S ! Loop indices\n INTEGER :: NPOS ! Reaction index\n INTEGER :: RPOS1 !\n INTEGER :: RPOS2 !\n INTEGER :: PPOS1 !\n INTEGER :: PPOS2 !\n\n LOGICAL :: LRXN1\n\n REAL :: COEFF\n REAL :: RCOEF\n REAL :: PCOEF\n\nC**********************************************************************\n\n DO N = 1, 72\n CLINE( N : N ) = 'c'\n ENDDO\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Open ouput file and code template \nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n LOGDEV = INIT3()\n\n E1 = LEN_TRIM( OUTPATH )\n\n FNAME = OUTPATH( 1 : E1 ) // '/hrrates.F' \n\n IOUT = JUNIT()\n\n OPEN( UNIT = IOUT, FILE = FNAME, ERR = 9000 )\n\n\n IIN = JUNIT()\n\n E1 = LEN_TRIM( TMPLPATH )\n\n FNAME = TMPLPATH( 1 : E1 ) // '/hrrates.F' \n\n OPEN( UNIT = IIN, FILE = FNAME, ERR = 9000 )\n\n\n IF( LWR_COPY ) CALL WR_COPYRT( IOUT )\n\n IF( LWR_CVS_HDR ) CALL WR_CVSHDR( IOUT )\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Read, modify, and write first part of code from template\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n 100 CONTINUE\n\n READ( IIN, 92000, END = 1000 ) LINEIN\n\n IF( LINEIN( 1 : 2 ) .EQ. 'R1' ) THEN\n\n WRITE( IOUT, 93000 ) GC_TAG( 1 : LEN_TRIM( GC_TAG ) )\n\n GO TO 100\n\n ELSEIF( LINEIN( 1 : 2 ) .EQ. 'R2' ) THEN\n\n WRITE( IOUT, 93020 ) CR_DATE( 1 : LEN_TRIM( CR_DATE ) )\n\n GO TO 100\n\n ELSEIF( LINEIN( 1 : 2 ) .EQ. 'S1' ) THEN\n\n GO TO 1000\n\n ELSE\n\n E1 = LEN_TRIM( LINEIN )\n\n WRITE( IOUT, 92000 ) LINEIN( 1 : E1 )\n\n GO TO 100\n\n ENDIF\n \n 1000 CONTINUE\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Write reactions for gas-phase only portion of mechanism\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n WRITE( IOUT, 94000 ) \n\n DO N = 1, NRXNS\n\n IND1 = 0\n IND2 = 0\n IND3 = 0\n\n IF( IRR( N, 1 ) .NE. 0 )\n & IND1 = MAX( INDEX1( GC_SPC( IRR( N, 1 ) ), N_AE_SPC, AE_SPC ),\n & INDEX1( GC_SPC( IRR( N, 1 ) ), N_AQ_SPC, AQ_SPC ) )\n\n IF( IRR( N, 2 ) .NE. 0 )\n & IND2 = MAX( INDEX1( GC_SPC( IRR( N, 1 ) ), N_AE_SPC, AE_SPC ),\n & INDEX1( GC_SPC( IRR( N, 1 ) ), N_AQ_SPC, AQ_SPC ) )\n\n IF( IRR( N, 2 ) .NE. 0 )\n & IND2 = MAX( INDEX1( GC_SPC( IRR( N, 1 ) ), N_AE_SPC, AE_SPC ),\n & INDEX1( GC_SPC( IRR( N, 1 ) ), N_AQ_SPC, AQ_SPC ) )\n\n\n\nc..skip rxn if any reactant is a AE or AQ species\n IF( IND1 .NE. 0 .OR. IND2 .NE. 0 .OR. IND3 .NE. 0 ) CYCLE \n\n WRITE( RNUM, '( I3 )' ) N\n\n LINOUT = ' RXRAT( ' // RNUM // ' ) = RKI( ' // RNUM //\n & ' )'\n\n E1 = LEN_TRIM( LINOUT )\n\n\n DO S = 1, NREACT( N )\n IF( IRR( N, S ) .NE. 0 ) THEN\n SPEC = ADJUSTL( GC_SPC( IRR( N, S ) ) )\n LINOUT = LINOUT( 1 : E1 ) // ' * YC( ' // SPEC( 1 : CL ) //\n & ' )'\n E1 = LEN_TRIM( LINOUT )\n ENDIF\n ENDDO\n\n IF( .NOT. L_RXFLAG( N ) ) LINOUT( 1 : 1 ) = '!'\n \n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n ENDDO\n\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Write reactions for AE only portion of mechanism\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n\n IND1 = 0\n IND2 = 0\n IND3 = 0\n\n IF( IRR( N, 1 ) .NE. 0 )\n & IND1 = INDEX1( GC_SPC( IRR( N, 1 ) ), N_AE_SPC, AE_SPC )\n\n IF( IRR( N, 2 ) .NE. 0 )\n & IND2 = INDEX1( GC_SPC( IRR( N, 1 ) ), N_AE_SPC, AE_SPC )\n\n IF( IRR( N, 3 ) .NE. 0 )\n & IND3 = INDEX1( GC_SPC( IRR( N, 1 ) ), N_AE_SPC, AE_SPC )\n\n\n\n\nc..do rxn if any reactant is a AE or AQ species\n IF( IND1 .NE. 0 .OR. IND2 .NE. 0 .OR. IND3 .NE. 0 ) THEN \n\n IF( LRXN1 ) THEN\n\n WRITE( IOUT, 95000 )\n\n LRXN1 = .FALSE.\n\n ENDIF\n\n WRITE( RNUM, '( I3 )' ) N\n\n LINOUT = ' RXRAT( ' // RNUM // ' ) = RKI( ' // RNUM //\n & ' )'\n\n E1 = LEN_TRIM( LINOUT )\n\n\n DO S = 1, NREACT( N )\n IF( IRR( N, S ) .NE. 0 ) THEN\n SPEC = ADJUSTL( GC_SPC( IRR( N, S ) ) )\n LINOUT = LINOUT( 1 : E1 ) // ' * YC( ' // SPEC( 1 : CL ) //\n & ' )'\n E1 = LEN_TRIM( LINOUT )\n ENDIF\n ENDDO\n \n IF( .NOT. L_RXFLAG( N ) ) LINOUT( 1 : 1 ) = '!'\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n ENDIF\n\n ENDDO\n\n IF( .NOT. LRXN1 ) WRITE( IOUT, 95020 )\n\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Write reactions for AQ only portion of mechanism\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n LRXN1 = .TRUE.\n DO N = 1, NRXNS\n\n IND1 = 0\n IND2 = 0\n IND3 = 0\n\n IF( IRR( N, 1 ) .NE. 0 )\n & IND1 = INDEX1( GC_SPC( IRR( N, 1 ) ), N_AQ_SPC, AQ_SPC )\n\n IF( IRR( N, 2 ) .NE. 0 )\n & IND2 = INDEX1( GC_SPC( IRR( N, 1 ) ), N_AQ_SPC, AQ_SPC )\n\n IF( IRR( N, 3 ) .NE. 0 )\n & IND3 = INDEX1( GC_SPC( IRR( N, 1 ) ), N_AQ_SPC, AQ_SPC )\n\n\n\n\nc..do rxn if any reactant is a AE or AQ species\n IF( IND1 .NE. 0 .OR. IND2 .NE. 0 .OR. IND3 .NE. 0 ) THEN \n\n IF( LRXN1 ) THEN\n\n WRITE( IOUT, 95040 )\n\n LRXN1 = .FALSE.\n\n ENDIF\n\n WRITE( RNUM, '( I3 )' ) N\n\n LINOUT = ' RXRAT( ' // RNUM // ' ) = RKI( ' // RNUM //\n & ' )'\n\n E1 = LEN_TRIM( LINOUT )\n\n\n DO S = 1, NREACT( N )\n IF( IRR( N, S ) .NE. 0 ) THEN\n SPEC = ADJUSTL( GC_SPC( IRR( N, S ) ) )\n LINOUT = LINOUT( 1 : E1 ) // ' * YC( ' // SPEC( 1 : CL ) //\n & ' )'\n E1 = LEN_TRIM( LINOUT )\n ENDIF\n ENDDO\n \n IF( .NOT. L_RXFLAG( N ) ) LINOUT( 1 : 1 ) = '!'\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n ENDIF\n\n\n ENDDO\n\n IF( .NOT. LRXN1 ) WRITE( IOUT, 95020 )\n\n\n WRITE( IOUT, 96000 )\n\n CLOSE( IIN )\n\n CLOSE( IOUT )\n\n RETURN \n\n 9000 MSG = 'ERROR: Could not open ' // FNAME( 1 : LEN_TRIM( FNAME ) )\n\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT2 )\n \n92000 FORMAT( A )\n92020 FORMAT( / )\n\n\n\n\n93000 FORMAT( 'C PRECONDITIONS: For the ', A, ' family of mechanisms' )\n93020 FORMAT( 'C REVISION HISTORY: Created by EBI solver program, ', A )\n\n94000 FORMAT(\n & 'C..NOTE: RXRAT commented out are not referenced by any routine' )\n\n95000 FORMAT(/ \n & ' IF( L_AE_VRSN ) THEN' / )\n\n95020 FORMAT(/\n & ' ENDIF' )\n\n\n95040 FORMAT(/\n & ' IF( L_AQ_VRSN ) THEN' / )\n\n\n96000 FORMAT( //6X, 'RETURN' // 6X, 'END' )\n\n \n END\n\n" }, { "path": "UTIL/create_ebi/src/wr_solver.F", "content": " SUBROUTINE WR_SOLVER\n\nC**********************************************************************\nC\nC FUNCTION: Create source code for the hrsolver subroutine in EBI\nC\nC PRECONDITIONS: None\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by Jerry Gipson, February, 2004\nC\nC**********************************************************************\n USE ENV_VARS\n USE GLOBAL_DATA\n !!USE M3UTILIO ! IOAPI parameters and declarations\n USE RXNS_DATA\n\n IMPLICIT NONE\n\nC..INCLUDES: \n \nC..ARGUMENTS: None\n\nC..PARAMETERS: None\n\nC..EXTERNAL FUNCTIONS:\n INTEGER JUNIT ! gets unit no.\n\nC..SAVED LOCAL VARIABLES: None\n \nC..SCRATCH LOCAL VARIABLES:\n CHARACTER( 16 ) :: PNAME = 'WR_SOLVER' ! Program name\n CHARACTER( 256 ) :: MSG ! Message text\n CHARACTER( 132 ) :: LINEIN ! Input line\n CHARACTER( 256 ) :: FNAME ! Name of file to open\n\n INTEGER :: EPOS ! end pos of string\n INTEGER :: IIN ! Unit no. of input file\n INTEGER :: IOUT ! Unit no. of output file\n\n LOGICAL :: LOUT0 = .FALSE. ! Flag for line 1 output processed\n LOGICAL :: LOUT1 = .FALSE. ! Flag for line 1 output processed\n LOGICAL :: LOUT2 = .FALSE. ! Flag for line 2 output processed\n LOGICAL :: LOUT3 = .FALSE. ! Flag for line 3 output processed\n LOGICAL :: LOUT4 = .FALSE. ! Flag for line 4 output processed\n LOGICAL :: LOUT5 = .FALSE. ! Flag for line 5 output processed\n\nC**********************************************************************\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Open ouput file and code template \nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n EPOS = LEN_TRIM( OUTPATH )\n \n FNAME = OUTPATH( 1 : EPOS ) // '/hrsolver.F' \n\n IOUT = JUNIT()\n\n OPEN( UNIT = IOUT, FILE = FNAME, ERR = 9000 )\n\n\n IIN = JUNIT()\n\n EPOS = LEN_TRIM( TMPLPATH )\n\n IF( N_SS_SPC .EQ. 0 ) THEN\n FNAME = TMPLPATH( 1 : EPOS ) // '/hrsolver.F' \n ELSE\n FNAME = TMPLPATH( 1 : EPOS ) // '/hrsolver_ss.F' \n END IF\n\n OPEN( UNIT = IIN, FILE = FNAME, ERR = 9000 )\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Start processing\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n IF( LWR_COPY ) CALL WR_COPYRT( IOUT )\n\n IF( LWR_CVS_HDR ) CALL WR_CVSHDR( IOUT )\n\n\n 100 CONTINUE\n\n READ( IIN, 92000, END = 1000 ) LINEIN\n\n IF( LINEIN( 1 : 1 ) .NE. 'R' ) THEN\n\n WRITE( IOUT, 92000 ) LINEIN( 1 : LEN_TRIM( LINEIN ) )\n\n ELSE\n\n IF( LINEIN( 2 : 2 ) .EQ. '0' .AND. .NOT. LOUT0 ) THEN\n\n IF( NSPECIAL .NE. 0 ) WRITE( IOUT, 93029 ) \n\n LOUT0 = .TRUE. \n\n ELSEIF( LINEIN( 2 : 2 ) .EQ. '1' .AND. .NOT. LOUT1 ) THEN\n\n WRITE( IOUT, 93000 ) TRIM( MECHNAME )\n\n LOUT1 = .TRUE. \n\n ELSEIF( LINEIN( 2 : 2 ) .EQ. '2' .AND. .NOT. LOUT2 ) THEN\n\n WRITE( IOUT, 93020 ) CR_DATE( 1 : LEN_TRIM( CR_DATE ) )\n\n LOUT2 = .TRUE. \n\n ELSEIF( LINEIN( 2 : 2 ) .EQ. '3' .AND. .NOT. LOUT3 ) THEN\n\n IF( NSPECIAL .NE. 0 ) WRITE( IOUT, 93030 ) \n\n LOUT3 = .TRUE. \n \n ELSEIF( LINEIN( 2 : 2 ) .EQ. '4' .AND. .NOT. LOUT4 ) THEN\n\n IF( LPAR_NEG ) THEN \n WRITE( IOUT, 93040 ) \n ELSE\n WRITE( IOUT, 93060 )\n END IF\n\n LOUT3 = .TRUE.\n\n ELSEIF( LINEIN( 2 : 2 ) .EQ. '5' .AND. .NOT. LOUT5 ) THEN\n\n IF( LDEGRADE_SUBS ) WRITE( IOUT, 93046 ) LINEIN( 3 : LEN_TRIM( LINEIN ) )\n\n LOUT5 = .FALSE.\n\n END IF\n\n END IF\n\n GO TO 100\n\n 1000 CONTINUE\n\n CLOSE( IIN )\n\n CLOSE( IOUT )\n\n NOUTFLS = NOUTFLS + 1\n OUTFLNAM( NOUTFLS ) = 'hrsolver.F'\n\n RETURN \n\n 9000 MSG = 'ERROR: Could not open ' // FNAME( 1 : LEN_TRIM( FNAME ) )\n\n WRITE(LOGDEV,'(a)')TRIM( PNAME ) // ': ' // TRIM( MSG )\n STOP\n \n92000 FORMAT( A )\n\n93000 FORMAT( 'C PRECONDITIONS: For the ', A, ' mechanism' )\n93020 FORMAT( 'C REVISION HISTORY: Created by EBI solver program, ', A )\n93029 FORMAT( 6X,'USE RXNS_FUNCTION, ONLY : SPECIAL_RATES' )\n93030 FORMAT( 2/15X, 'FORALL( S=1:N_SPEC )SYC( NCELL, S ) = YC( S ) '\n & /15X, 'CALL SPECIAL_RATES( NUMCELLS=NCELL, TEMP=TEMP, DENS=DENSITY, ',\n & 'Y=SYC, RKI=RKI_SAV )'\n & /15X, 'FORALL( S = 1:NRXNS )RKI( S ) = RKI_SAV( NCELL, S )' / )\n93040 FORMAT( 'c..Special treatment of PAR because of negative product ',\n & 'stoichiometry' /\n & 15X,'IF( PNEG( PAR ) .GT. 0.0D0 ) THEN' /\n & 15X,' FXDLOSS = PNEG( PAR ) * DTC' /\n & 15X,' IF( FXDLOSS .GE. YC0( PAR ) + PROD( PAR ) * DTC ) THEN' /\n & 15X,' YCP( PAR ) = 0.0D0' /\n & 15X,' ELSE' /\n & 15X,' VARLOSS = MAX( LOSS( PAR ) - PNEG( PAR ) , ZERO )' /\n & 15X,' YCP( PAR ) = ( YC0( PAR ) + PROD( PAR ) * DTC - ' /\n & 5X,'&', 13X, 'FXDLOSS ) / ( 1.0D0 + VARLOSS * DTC / YC( PAR ) )' /\n & 15X,' END IF' /\n & 15X,'END IF' )\n!93046 FORMAT( 2X, A )\n93046 FORMAT( A )\n93060 FORMAT( / )\n\n END\n" }, { "path": "UTIL/create_ebi/src/wr_special.F", "content": " SUBROUTINE WR_SPECIAL\n\nC**********************************************************************\nC\nC FUNCTION: Create source code for the HRCALC_SPECIAL subroutine in EBI\nC\nC PRECONDITIONS: Mechanism data must have been processed by CMAQ CHEMMECH\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nC REVISION HISTORY: Created by Jerry Gipson, July, 2009\nC\nC**********************************************************************\n\n USE ENV_VARS\n USE GLOBAL_DATA\n !!USE M3UTILIO ! IOAPI parameters and declarations\n USE RXNS_DATA\n\n IMPLICIT NONE\n\nC..INCLUDES: \n\n\nC..PARAMETERS: None\n\nC..EXTERNAL FUNCTIONS:\n INTEGER JUNIT ! gets unit no.\n\nC..SAVED LOCAL VARIABLES:\n CHARACTER( 16 ), SAVE :: PNAME = 'WR_SPECIAL' ! Program name\n \nC..SCRATCH LOCAL VARIABLES:\n CHARACTER( 256 ) :: MSG ! Message text\n CHARACTER( 100 ) :: LINEIN ! Input line\n CHARACTER( 100 ) :: LINOUT ! Output line\n CHARACTER( 256 ) :: FNAME ! Name of file to open\n\n CHARACTER( 4 ) :: RKOUT ! Output reaction number\n CHARACTER( 9 ) :: COUT ! Output coefficient\n CHARACTER( 16 ) :: SPOUT ! Output species name\n CHARACTER( 16 ) :: LBLOUT ! Output reaction label\n CHARACTER( 16 ) :: OPOUT ! Output operator name\n \n\n INTEGER :: EPOS ! end pos of string\n INTEGER :: E1 ! end pos of string\n INTEGER :: IIN ! Unit no. of input file\n INTEGER :: IOUT ! Unit no. of output file\n\n INTEGER :: N ! Loop index\n INTEGER :: T1 ! Loop index\n INTEGER :: POS ! Loop index\n INTEGER :: IND ! Array index\n\n INTEGER :: MXL_OPNAM = 0 ! Length of longest spec. op. name\n INTEGER :: MXL_SPC = 0 ! Length of longest species name used by sp. ops\n INTEGER :: MXL_LBL = 0 ! Length of longest rx label used by sp. ops\n INTEGER :: MXL_LBL2 = 0 ! Length of longest rx label set to a special rate\n\n INTEGER :: RKNUM ! Reaction index\n INTEGER :: SPNUM ! Species index\n INTEGER :: OPNUM ! Operator index\n\n LOGICAL :: LDONE1 ! Flag to indicate one term of sp. op output\n LOGICAL :: LERROR = .FALSE. ! Error flag\n\n REAL :: COEFF ! Coefficient for a term in special operator\n \n\nC**********************************************************************\n\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Get max lengths of key character strings for formatting purposes\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n \nc..get length of the longest operator name\n MXL_OPNAM = 0\n DO N = 1, NSPECIAL\n MXL_OPNAM = MAX( MXL_OPNAM , LEN_TRIM( SPECIAL( N ) ) )\n END DO\n\nc..get length of the longest species name that is referenced by operators\n MXL_SPC = 0\n DO N = 1, NSPECIAL\n DO T1 = 1, MAXSPECTERMS\n IND = INDEX_CTERMS( N, T1 ) \n IF( IND .NE. 0 ) MXL_SPC = MAX( MXL_SPC, LEN_TRIM( SPECIES( IND ) ) )\n END DO\n END DO\n\n\nc..get length of the longest rxn label that is referenced in operator definitions \n MXL_LBL = 0\n DO N = 1, NSPECIAL\n DO T1 = 1, MAXSPECTERMS\n IND = INDEX_KTERMS( N, T1 ) \n IF( IND .NE. 0 ) MXL_LBL = MAX( MXL_LBL, LEN_TRIM( RXLABEL( IND ) ) )\n END DO\n END DO\n\nc..get length of the longest rxn label that is set equal to an operator value \n MXL_LBL2 = 0\n DO N = 1, NSPECIAL\n IND = ISPECIAL( N, 1 ) \n IF( IND .NE. 0 ) MXL_LBL2 = MAX( MXL_LBL2, LEN_TRIM( RXLABEL( IND ) ) )\n END DO\n\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Open ouput file and code template \nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n E1 = LEN_TRIM( OUTPATH )\n\n FNAME = OUTPATH( 1 : E1 ) // '/hrcalc_special.F' \n\n IOUT = JUNIT()\n\n OPEN( UNIT = IOUT, FILE = FNAME, ERR = 9000 )\n\n IIN = JUNIT()\n\n E1 = LEN_TRIM( TMPLPATH )\n\n FNAME = TMPLPATH( 1 : E1 ) // '/hrcalc_special.F' \n\n OPEN( UNIT = IIN, FILE = FNAME, ERR = 9000 )\n\n IF( LWR_COPY ) CALL WR_COPYRT( IOUT )\n\n IF( LWR_CVS_HDR ) CALL WR_CVSHDR( IOUT )\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Read, modify, and write first part of code from template\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n 100 CONTINUE\n\n READ( IIN, 92000, END = 1000 ) LINEIN\n\n IF( LINEIN( 1 : 2 ) .EQ. 'R1' ) THEN\n\n WRITE( IOUT, 93000 ) TRIM( MECHNAME )\n\n GO TO 100\n\n ELSEIF( LINEIN( 1 : 2 ) .EQ. 'R2' ) THEN\n\n WRITE( IOUT, 93020 ) CR_DATE( 1 : LEN_TRIM( CR_DATE ) )\n\n GO TO 100\n\n ELSEIF( LINEIN( 1 : 2 ) .EQ. 'R3' ) THEN\n\nc..Declare special rate constant names\n DO N = 1, NSPECIAL\n WRITE( IOUT, 95000 ) SPECIAL( N )\n END DO\n WRITE( IOUT, 92000 )\n\n GO TO 100\n\n ELSEIF( LINEIN( 1 : 2 ) .EQ. 'S1' ) THEN\n\n GO TO 1000\n\n ELSE\n\n E1 = LEN_TRIM( LINEIN )\n\n WRITE( IOUT, 92000 ) LINEIN( 1 : E1 )\n\n GO TO 100\n\n END IF\n \n 1000 CONTINUE\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Section to compute values of special rate constants\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n WRITE( IOUT, 92000 )'c..Compute values of special rate constants'\n \n DO N = 1, NSPECIAL\n\n WRITE( IOUT , 92000 )\n\n LDONE1 = .FALSE.\n\n OPOUT = ADJUSTL( SPECIAL( N ) )\n\n LINOUT = ' ' // OPOUT( 1 : MXL_OPNAM )\n\n LINOUT = LINOUT( 1 : MXL_OPNAM + 6 ) // ' = '\n\n EPOS = MXL_OPNAM + 9\n\n \nc..Loop for rate constant/concentration terms\n DO T1 = 1, MAXSPECTERMS\n\n IF( INDEX_KTERMS( N, T1 ) .EQ. 0 .OR. INDEX_KTERMS( N, T1 ) .EQ. 0 ) CYCLE\n\n COEFF = KC_COEFFS( N, T1 )\n\n COUT = ' '\n\n IF( COEFF .NE. 1.0 ) WRITE( COUT, '( F6.3, A )' ) COEFF, ' * '\n\n RKNUM = INDEX_KTERMS( N, T1 )\n\n WRITE( RKOUT, '( I4 )' ) RKNUM\n\n SPNUM = INDEX_CTERMS( N, T1 ) \n\n SPOUT = ADJUSTL ( SPECIES( SPNUM ) )\n\n LINOUT = LINOUT( 1 : EPOS ) // COUT // 'RKI( NCELL, '// RKOUT // ' ) * YC( NCELL, ' //\n & SPOUT( 1 : MXL_SPC ) // ' ) !'\n\n EPOS = LEN_TRIM( LINOUT )\n\n LBLOUT = ADJUSTL( RXLABEL( RKNUM ) ) \n\n LINOUT = LINOUT( 1 : EPOS ) // ' RKI( NCELL,' // RKOUT // ') = RKI<' //\n & LBLOUT( 1 : MXL_LBL ) // '>'\n\n EPOS = LEN_TRIM( LINOUT )\n\n WRITE( IOUT, 92000 ) LINOUT( 1 : EPOS )\n\n LDONE1 = .TRUE.\n\n DO POS = 1, MXL_OPNAM + 9\n\n LINOUT( POS : POS ) = ' '\n IF( POS .EQ. 6 ) LINOUT( POS : POS ) = '&' \n IF( POS .EQ. MXL_OPNAM + 8 ) LINOUT( POS : POS ) = '+' \n \n END DO\n\n EPOS = MXL_OPNAM + 9\n\n END DO \n\nc..Loop for other special operator terms\n DO T1 = 1, MAXSPECTERMS\n\n IF( OPERATORS( N, T1 ) .EQ. 0 ) CYCLE \n \n COEFF = OPERATOR_COEFFS( N , T1 )\n\n COUT = ' '\n\n IF( COEFF .NE. 1.0 ) WRITE( COUT, '( F6.3, A )' ) COEFF, ' * '\n\n OPOUT = ADJUSTL( SPECIAL( OPERATORS( N, T1 ) ) )\n\n LINOUT = LINOUT( 1 : EPOS ) // COUT // OPOUT( 1 : MXL_OPNAM ) \n\n EPOS = LEN_TRIM( LINOUT )\n\n WRITE( IOUT, 92000 ) LINOUT( 1 : EPOS )\n\n LDONE1 = .TRUE.\n\n DO POS = 1, MXL_OPNAM + 9\n\n LINOUT( POS : POS ) = ' '\n IF( POS .EQ. 6 ) LINOUT( POS : POS ) = '&' \n IF( POS .EQ. MXL_OPNAM + 8 ) LINOUT( POS : POS ) = '+' \n \n END DO\n\n EPOS = MXL_OPNAM + 9\n\n END DO\n\n IF( .NOT. LDONE1 ) THEN\n\n WRITE( LOGDEV, 91000 ) SPECIAL ( N )\n\n LERROR = .TRUE.\n\n END IF\n\n END DO\n\nc..stop if any errors encountered\n\n IF( LERROR ) THEN\n MSG = 'Stopping because of special rate constant errors'\n WRITE(LOGDEV,'(a)')TRIM( PNAME ) // ': ' // TRIM( MSG )\n STOP\n END IF\n\n\nc..Set rate constants of individual reactions\n\n WRITE( IOUT, 92000 )\n WRITE( IOUT, 92000 ) 'c..set individual mechanism rate constants'\n WRITE( IOUT, 92000 )\n\n DO N = 1, NSPECIAL_RXN\n\n RKNUM = ISPECIAL( N, 1 )\n\n WRITE( RKOUT, '( I4 )' ) RKNUM\n\n OPNUM = ISPECIAL( N, 2 )\n\n OPOUT = ADJUSTL( SPECIAL( OPNUM ) )\n\n LBLOUT = ADJUSTL( RXLABEL( RKNUM ) ) \n\n LINOUT = ' RKI( NCELL, ' // RKOUT // ' ) = ' // OPOUT( 1 : MXL_OPNAM ) //\n & ' ! RKI<' // LBLOUT ( 1 : MXL_LBL2 ) // '>'\n\n EPOS = LEN_TRIM( LINOUT )\n\n WRITE( IOUT, 92000 ) LINOUT( 1 : EPOS )\n\n END DO\n\n WRITE( IOUT, 95100 ) \n\n CLOSE( IIN )\n CLOSE( IOUT )\n\n NOUTFLS = NOUTFLS + 1\n OUTFLNAM( NOUTFLS ) = 'hrcalc_special.F'\n\n \n RETURN \n\n 9000 CONTINUE\n\n MSG = 'ERROR: Could not open ' // FNAME( 1 : LEN_TRIM( FNAME ) )\n\n WRITE(LOGDEV,'(a)')TRIM( PNAME ) // ': ' // TRIM( MSG )\n STOP\n\n\n91000 FORMAT( 'ERROR: No terms found for special rate constant named: ', A )\n \n92000 FORMAT( A )\n\n93000 FORMAT( 'C PRECONDITIONS: For the ', A, ' mechanism' )\n93020 FORMAT( 'C REVISION HISTORY: Created by EBI solver program, ', A )\n\n\n\n95000 FORMAT( 6X, 'REAL ', A16 )\n\n95100 FORMAT( / 6X, 'RETURN' // 6X, 'END' )\n\n END\n" }, { "path": "UTIL/create_ebi/src/wr_ssa.F", "content": " SUBROUTINE WR_SSA\n\nC**********************************************************************\nC\nC FUNCTION: Create source code for the hrcalc_SS subroutine in EBI\nC\nC PRECONDITIONS: Mechanism data must have been processed by CMAQ CHEMMECH\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: SUM_COEFF\nC BLD_OUTLINE\nC\nC REVISION HISTORY: Created by Jerry Gipson, July, 2009\nC\nC**********************************************************************\n\n USE ENV_VARS\n USE GLOBAL_DATA\n !!USE M3UTILIO ! IOAPI parameters and declarations\n USE RXNS_DATA\n\n IMPLICIT NONE\n\nC..INCLUDES: \n\nC..ARGUMENTS: None\n\nC..PARAMETERS:\n INTEGER, PARAMETER :: GRPNO = 5\n\nC..EXTERNAL FUNCTIONS:\n INTEGER JUNIT ! gets unit no.\n! INTEGER NAME_INDEX ! find position of string in list\n\n\nC..SAVED LOCAL VARIABLES:\n CHARACTER( 16 ), SAVE :: PNAME = 'WR_HRCALC_SSA' ! Program name\n \nC..SCRATCH LOCAL VARIABLES:\n \n CHARACTER( 256 ) :: MSG ! Message text\n CHARACTER( 100 ) :: LINEIN ! Input line\n CHARACTER( 100 ) :: LINOUT ! Output line\n CHARACTER( 256 ) :: FNAME ! Name of file to open\n\n CHARACTER( 4 ) :: RKOUT ! Output reaction number\n CHARACTER( 9 ) :: COUT ! Output coefficient\n CHARACTER( 16 ) :: SPOUT ! Output species name\n CHARACTER( 16 ) :: LBLOUT ! Output reaction label\n CHARACTER( 16 ) :: OPOUT ! Output operator name\n CHARACTER( 16 ) :: RCTOUT ! Output reactant name\n CHARACTER( 30 ) :: VNAME ! Name of variable to be written\n CHARACTER( 72 ) :: CLINE ! String of c's\n \n\n INTEGER :: EPOS ! end pos of string\n INTEGER :: IIN ! Unit no. of input file\n INTEGER :: IOUT ! Unit no. of output file\n\n INTEGER :: E1 ! End pos. of string\n INTEGER :: E2 ! End pos. of string\n\n INTEGER :: NPOS ! Position number\n INTEGER :: RPOS1 ! Reactant pos. in cmprsd rxn string\n INTEGER :: RPOS2 ! Reactant pos. in cmprsd rxn string\n INTEGER :: PPOS1 ! Reactant pos. in cmprsd rxn string\n INTEGER :: PPOS2 ! Reactant pos. in cmprsd rxn string\n\n INTEGER :: IR ! Loop index\n INTEGER :: N ! Loop index\n INTEGER :: S ! Loop index\n INTEGER :: T1 ! Loop index\n INTEGER :: IND ! Array index\n INTEGER :: NRX ! Reaction no.\n\n INTEGER :: RKNUM ! Reaction index\n INTEGER :: SPNUM ! Species index\n INTEGER :: OPNUM ! Operator index\n\n LOGICAL :: LRXN1 ! Flag to indicate one term output\n LOGICAL :: LERROR = .FALSE. ! Error flag\n LOGICAL :: L_SS_RXN ! Flag to indicate a SS species is a reactant\n LOGICAL, ALLOCATABLE :: L_SPECIAL_RK( : ) ! Flag to indicate rxn w/ special rate const\n\n REAL :: COEFF ! Net prod/loss coefficient\n REAL :: RCOEF ! Sum of number of molecules of a single reactant\n REAL :: YCOEF ! Sum of coefficients for a product in one rxn \n\nC**********************************************************************\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Initialize variables\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\nc..Line of c's\n DO N = 1, 72\n CLINE( N : N ) = 'c'\n END DO\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Open ouput file and code template \nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n\n E1 = LEN_TRIM( OUTPATH )\n\n FNAME = OUTPATH( 1 : E1 ) // '/hrcalc_ss.F' \n\n IOUT = JUNIT()\n\n OPEN( UNIT = IOUT, FILE = FNAME, ERR = 9000 )\n\n\n IIN = JUNIT()\n\n E1 = LEN_TRIM( TMPLPATH )\n\n FNAME = TMPLPATH( 1 : E1 ) // '/hrcalc_ss.F' \n\n OPEN( UNIT = IIN, FILE = FNAME, ERR = 9000 )\n\n\n IF( LWR_COPY ) CALL WR_COPYRT( IOUT )\n\n IF( LWR_CVS_HDR ) CALL WR_CVSHDR( IOUT )\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Read, modify, and write first part of code from template\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n 100 CONTINUE\n\n READ( IIN, 92000, END = 1000 ) LINEIN\n\n IF( LINEIN( 1 : 2 ) .EQ. 'R1' ) THEN\n\n WRITE( IOUT, 93000 ) TRIM( MECHNAME )\n\n GO TO 100\n\n ELSEIF( LINEIN( 1 : 2 ) .EQ. 'R2' ) THEN\n\n WRITE( IOUT, 93020 ) TRIM( CR_DATE )\n\n GO TO 100\n\n ELSEIF( LINEIN( 1 : 2 ) .EQ. 'S1' ) THEN\n\n GO TO 1000\n\n ELSE\n\n E1 = LEN_TRIM( LINEIN )\n\n WRITE( IOUT, 92000 ) LINEIN( 1 : E1 )\n\n GO TO 100\n\n END IF\n \n 1000 CONTINUE\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Flag reactions if they use a special rate constant \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n ALLOCATE( L_SPECIAL_RK( NRXNS ) )\n L_SPECIAL_RK = .FALSE. ! Array\n\n DO N = 1, NSPECIAL_RXN\n L_SPECIAL_RK( ISPECIAL( N, 1 ) ) = .TRUE.\n END DO\n \n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Process each steady-state species one at a time and generate code for\nc each one that computes its production, loss frequency, and concentration;\nc then generate code that updates the reaction rate of all reactions\nc in which this SS species is a reactant \nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n DO S = 1, N_SS_SPC\n\n WRITE( IOUT, 92000 )\n\n SPOUT = ADJUSTL( SS_SPC( S ) )\n\n WRITE( IOUT, 92100 ) CLINE, SPOUT, CLINE\n\n SPNUM = NAME_INDEX( SPOUT, N_SPECIES, SPECIES )\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Loop over all reactions to get all SS production terms\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n VNAME = 'SS_PROD'\n LRXN1 = .TRUE.\n WRITE( IOUT, 92000 )\n\n DO N = 1, MAX_SS_PROD\n\n NRX = SS_PROD_RXNS( S, N )\n\n IF( NRX .LE. 0 ) CYCLE\n\n COEFF = SS_PROD_COEF( S, N )\n \n NPOS = 30\n RPOS1 = 0\n RPOS2 = 0\n PPOS1 = SPNUM\n PPOS2 = 0\n\n CALL BLD_OUTLINE( 'RXRAT', VNAME, ' ', 0, COEFF, NRX, GRPNO, \n & NPOS, LINOUT, LRXN1, RPOS1, RPOS2, PPOS1, PPOS2 )\n\n E1 = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n\n LRXN1 = .FALSE.\n \n END DO\n\nc..Error generated if the SS species has no production terms\n IF( LRXN1 ) THEN\n WRITE( LOGDEV, 98000 ) SPOUT\n LERROR = .TRUE.\n END IF\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Loop over all reactions to get all SS loss frequency terms\nc If the reaction uses a special rate constant, use RKI; if not\nc use RKI_SAV \nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n LRXN1 = .TRUE.\n WRITE( IOUT, 92000 )\n\n DO N = 1, MAX_SS_LOSS\n\n NRX = SS_LOSS_RXNS( S, N )\n\n IF( NRX .LE. 0 ) CYCLE\n\nc..Don't need to calculate rxrat in hrrates if this reaction has a SS reactant\n L_SS_RXN_FLAG( NRX ) = .TRUE.\n\n WRITE( RKOUT, '( I4 )' ) NRX\n\n IF( LRXN1 ) THEN\n IF( L_SPECIAL_RK( NRX ) ) THEN\n LINOUT = ' SS_LFRQ = RKI( NCELL, ' // RKOUT // ' )'\n ELSE\n LINOUT = ' SS_LFRQ = RKI_SAV( NCELL, ' // RKOUT // ' )'\n END IF\n ELSE\n IF( L_SPECIAL_RK( NRX ) ) THEN\n LINOUT = ' & + RKI( NCELL, ' // RKOUT // ' )'\n ELSE \n LINOUT = ' & + RKI_SAV( NCELL, ' // RKOUT // ' )'\n END IF\n END IF \n E1 = LEN_TRIM( LINOUT )\n\n DO IND = 1, NREACT( NRX )\n SPOUT = ADJUSTL( SPECIES( IRR( NRX, IND ) ) )\n E2 = LEN_TRIM( SPOUT )\n LINOUT = LINOUT( 1 : E1 ) // '* YC( NCELL, ' // SPOUT( 1 : E2 ) // ' )'\n E1 = LEN_TRIM( LINOUT )\n END DO\n\n WRITE( IOUT, 92000 ) LINOUT( 1 : E1 )\n LRXN1 = .FALSE.\n \n END DO ! End loop over MAX_SS_LOSS\n\nc..Error generated if the SS species has no loss terms\n IF( LRXN1 ) THEN\n WRITE( LOGDEV, 98020 ) SPOUT\n LERROR = .TRUE.\n END IF\n\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Generate code that computes the SS species concentration\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n WRITE( IOUT, 92120 ) \n\n SPOUT = ADJUSTL( SS_SPC( S ) )\n E1 = LEN_TRIM( SPOUT )\n\n LINOUT = ' IF( SS_LFRQ .LE. 0.0 ) SS_LFRQ = MINLOSS'\n EPOS = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : EPOS )\n\n LINOUT = ' YC( NCELL, ' // SPOUT( 1 : E1 ) // \n & ' ) = SS_PROD / SS_LFRQ'\n EPOS = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : EPOS )\n\n LINOUT = ' YC( NCELL, ' // SPOUT( 1 : E1 ) // ' ) = MAX( YC( NCELL, ' //\n & SPOUT( 1 : E1 ) // ' ), MINCONC )'\n EPOS = LEN_TRIM( LINOUT )\n WRITE( IOUT, 92000 ) LINOUT( 1 : EPOS )\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Generate code that updates reaction rates and rate constants for all \nc reactions that have this SS species as a reactant; The SS conc is rolled\nc into the rate constant using RKI for special rate constants and \nc RKI_SAV for non-special rate constants\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n WRITE( IOUT, 92140 ) \n\nc..This section updates reaction rates (rxrat)\n DO N = 1, MAX_SS_LOSS\n\n NRX = SS_LOSS_RXNS( S, N )\n\n IF( NRX .LE. 0 ) CYCLE\n\n WRITE( RKOUT, '( I4 )' ) NRX\n \n IF( L_SPECIAL_RK( NRX ) ) THEN\n LINOUT = ' RXRAT( NCELL, ' // RKOUT // ' ) = RKI( NCELL, ' //\n & RKOUT // ' ) '\n ELSE\n LINOUT = ' RXRAT( NCELL, ' // RKOUT // ' ) = RKI_SAV( NCELL, ' //\n & RKOUT // ' ) '\n END IF \n EPOS = LEN_TRIM( LINOUT )\n\nc..Loop over all non-SS reactants for this rxn ( must be LE 2 ) \n DO IR = 1, 2 \n IND = IRR( NRX, IR ) \n IF( IND .EQ. 0 ) CYCLE\n RCTOUT = ADJUSTL( SPECIES( IND ) )\n E1 = LEN_TRIM( RCTOUT )\n LINOUT = LINOUT( 1 : EPOS ) // ' * YC( NCELL, ' //\n & RCTOUT( 1 : E1 ) // ' )'\n EPOS = LEN_TRIM( LINOUT )\n END DO\n\nc..Add the SS reactant \n RCTOUT = ADJUSTL( SS_SPC( S ) )\n E1 = LEN_TRIM( RCTOUT )\n LINOUT = LINOUT( 1 : EPOS ) // ' * YC( NCELL, ' //\n & RCTOUT( 1 : E1 ) // ' )'\n EPOS = LEN_TRIM( LINOUT )\n\n\n WRITE( IOUT, 92000 ) LINOUT( 1 : EPOS )\n\n END DO ! Loop over reactions\n\n \nc..This section writes code to update rate constants\n DO N = 1, MAX_SS_LOSS\n\n NRX = SS_LOSS_RXNS( S, N )\n\n IF( NRX .LE. 0 ) CYCLE\n\n WRITE( RKOUT, '( I4 )' ) NRX\n \n IF( L_SPECIAL_RK( NRX ) ) THEN\n \n LINOUT = ' RKI( NCELL, ' // RKOUT // ' ) = RKI( NCELL, ' //\n & RKOUT // ' ) * YC( NCELL, ' // RCTOUT( 1 : E1 ) // ' )'\n EPOS = LEN_TRIM( LINOUT )\n\n ELSE\n\n LINOUT = ' RKI( NCELL, ' // RKOUT // ' ) = RKI_SAV( NCELL, ' //\n & RKOUT // ' ) * YC( NCELL, ' // RCTOUT( 1 : E1 ) // ' )'\n EPOS = LEN_TRIM( LINOUT )\n\n END IF\n\n WRITE( IOUT, 92000 ) LINOUT( 1 : EPOS )\n\n END DO ! Loop over reactions\n\n\n END DO ! Loop over SS species\n\n WRITE( IOUT, 95100 ) \n\n IF( LERROR ) THEN\n MSG = 'STOPPING because of errors in processing steady-state species'\n WRITE(LOGDEV,'(a)')TRIM( PNAME ) // ': ' // TRIM( MSG )\n STOP\n END IF\n\n CLOSE( IIN )\n CLOSE( IOUT )\n\n NOUTFLS = NOUTFLS + 1\n OUTFLNAM( NOUTFLS ) = 'hrcalc_ss.F'\n\n DEALLOCATE( L_SPECIAL_RK )\n\n \n RETURN \n\n 9000 CONTINUE\n\n MSG = 'ERROR: Could not open ' // FNAME( 1 : LEN_TRIM( FNAME ) )\n\n WRITE(LOGDEV,'(a)')TRIM( PNAME ) // ': ' // TRIM( MSG )\n STOP\n\n\n \n92000 FORMAT( A )\n\n92100 FORMAT( / A / 'c SS Species: ', A / A )\n\n92120 FORMAT( /'c..compute steady-state concentration' )\n92140 FORMAT( /'c..update reaction rates with the computed SS species conc ' )\n\n93000 FORMAT( 'C PRECONDITIONS: For the ', A, ' mechanism' )\n93020 FORMAT( 'C REVISION HISTORY: Created by EBI solver program, ', A )\n\n95000 FORMAT( 6X, 'REAL ', A )\n\n95100 FORMAT( 6X, 'RETURN' // 6X, 'END' )\n\n98000 FORMAT( 'ERROR: The following steady-state species has no production term: ', A )\n98020 FORMAT( 'ERROR: The following steady-state species has no loss term: ', A )\n\n\n END\n" }, { "path": "UTIL/create_ebi/template_RXNSU_OPT/copyright.txt", "content": "C***********************************************************************\nC Portions of Models-3/CMAQ software were developed or based on *\nC information from various groups: Federal Government employees, *\nC contractors working on a United States Government contract, and *\nC non-Federal sources (including research institutions). These *\nC research institutions have given the Government permission to *\nC use, prepare derivative works, and distribute copies of their *\nC work in Models-3/CMAQ to the public and to permit others to do *\nC so. EPA therefore grants similar permissions for use of the *\nC Models-3/CMAQ software, but users are requested to provide copies *\nC of derivative works to the Government without restrictions as to *\nC use by others. Users are responsible for acquiring their own *\nC copies of commercial software associated with Models-3/CMAQ and *\nC for complying with vendor requirements. Software copyrights by *\nC the MCNC Environmental Modeling Center are used with their *\nC permissions subject to the above restrictions. *\nC***********************************************************************\n" }, { "path": "UTIL/create_ebi/template_RXNSU_OPT/cvs_header.txt", "content": "C RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header$ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n" }, { "path": "UTIL/create_ebi/template_RXNSU_OPT/hrdata_mod.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n MODULE HRDATA\n\nC*************************************************************************\nC\nC FUNCTION: Mechanism & solver data for EBI solver\nC \nR1 PRECONDITIONS: For CB4 family of mechanisms only\nC \nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nR2 REVISION HISTORY: Prototype created by Jerry Gipson, April, 2003\nC\nC 18 Jul 14 B.Hutzell: revised to use real(8) variables for solution \nC*************************************************************************\n\nc..EBI solver fixed parameters\n INTEGER, PARAMETER :: NEBITER = 1000 ! No. of iterations for EBI\n INTEGER, PARAMETER :: MAX_CELLS_EBI = 1 ! max # cells in local conc arrays\nR6 REAL( 8 ), PARAMETER :: DELTAT = 2.500D+00 ! EBI time step\n\nc..Mechanism specific variables\n INTEGER N_SPEC ! No. of species in mechanism\n INTEGER N_RXNS ! No. of reactions in mechanism\n INTEGER N_EBISP ! No. of species solved by EBI\n INTEGER NING1 ! No. of species in group 1\n INTEGER NING2 ! No. of species in group 2\n INTEGER N_SPCL_RKS ! No. of special rate constants\n INTEGER N_ACTSP ! No. of species in mechanism (non-ss spec)\n INTEGER NCELL ! cell number in EBI Block\n\nc..Control flags\n LOGICAL L_AE_VRSN ! Flag for aerosol version of mech\n LOGICAL L_AQ_VRSN ! Flag for aqueous chemistry version of mech\n LOGICAL CALL_IRR ! Flag initializing for IRR and calling PA_IRR \n \nR5! SWITCH for calling DEGRADE routine\nR5 LOGICAL, SAVE :: CALL_DEG = .TRUE.\n\nc..Miscellaneous variables\n INTEGER N_EBI_IT ! No. of iterations for EBI\n INTEGER N_EBI_STEPS ! No. of time steps for EBI\n INTEGER N_INR_STEPS ! No. of inner time steps for EBI\n INTEGER PECOL_OFFSET ! Local Column Offset for processor\n INTEGER PEROW_OFFSET ! Local Column Offset for processor\nR5\nR5 INTEGER, SAVE :: MODEL_SPECIES ! No. of species in CGRID\n\n REAL( 8 ) EBI_TMSTEP ! Time step for EBI loops (min)\n REAL( 8 ) CHEMSTEP ! Chemistry integration interval (min)\n\nc...Allocatable arrays\n INTEGER, ALLOCATABLE :: EBISP( : ) ! Index of EBI species\n INTEGER, ALLOCATABLE :: SSASP( : ) ! Index of ss species\n INTEGER, ALLOCATABLE :: ACTSP( : ) ! Index of active species\n INTEGER, ALLOCATABLE :: IOLD2NEW( :,: ) ! YC species map, used if NSPECIAL > 0\n\n REAL( 8 ), ALLOCATABLE :: RKI( : ) ! Rate constants \n REAL( 8 ), ALLOCATABLE :: RKI_SAV( :, : ) ! Saved values of RKI for SS species calcs\n\n REAL( 8 ), ALLOCATABLE :: YC ( : ) ! Species concentrations\n REAL( 8 ), ALLOCATABLE :: YC0( : ) ! Species concentrations\n REAL( 8 ), ALLOCATABLE :: YCP( : ) ! Species concentrations\n REAL( 8 ), ALLOCATABLE :: SYC( :, : ) ! Species concentrations\n\n REAL, ALLOCATABLE :: FORWARD_CONV( : ) ! CGRID to CHEM Species conversion factor \n REAL, ALLOCATABLE :: REVERSE_CONV( : ) ! CHEM to CGRID Species conversion factor\n \n REAL( 8 ), ALLOCATABLE :: RXRAT( : ) ! Reaction rates \n REAL( 8 ), ALLOCATABLE :: RTOL( : ) ! Species tolerances \nR5 REAL( 8 ), ALLOCATABLE :: YCCELL( : ) ! ALL Species in cgrid\n REAL( 8 ), ALLOCATABLE :: PROD( : ) ! Prod of species \n REAL( 8 ), ALLOCATABLE :: LOSS( : ) ! Loss of species \nR3 REAL( 8 ), ALLOCATABLE :: PNEG( : ) ! Negative production rates\n\n REAL, ALLOCATABLE :: PRES( :, :, : ) ! pressure (Pa)\n REAL, ALLOCATABLE :: QV ( :, :, : ) ! water vapor (Kg/Kg air)\n REAL, ALLOCATABLE :: TA ( :, :, : ) ! temperature (K)\n\n REAL, ALLOCATABLE :: SEAICE ( :, :) ! fractional seaice cover, [-]\n REAL, ALLOCATABLE :: DENS( :, :, : ) ! mass density (Kg/m^3)\n\n REAL, ALLOCATABLE :: SEAWATER_ZONE ( :,: ) ! fractional area of OPEN+SURF\n LOGICAL, ALLOCATABLE :: LFLAGIRR ( :,:,: ) ! Conduct IRR for cell\n\n REAL( 8 ), ALLOCATABLE :: ATMPRES ( : ) ! Cell pressure, Atm\n! REAL( 8 ), ALLOCATABLE :: PRESCELL( : ) ! Cell pressure, Pa\n REAL( 8 ), ALLOCATABLE :: H2O ( : ) ! Cell H2O mixing ratio (ppmV)\n REAL( 8 ), ALLOCATABLE :: TEMP ( : ) ! Cell Temperature\n REAL( 8 ), ALLOCATABLE :: DENSITY ( : ) ! Cell mass density (Kg/m3)\n REAL( 8 ), ALLOCATABLE :: HET ( :, : ) ! cell heterogeneous reaction rates\n REAL( 8 ), ALLOCATABLE :: RJIN ( :, : ) ! J-values for a cell\n REAL( 8 ), ALLOCATABLE :: SEAWATER ( : ) ! fractional area of OPEN+SURF for specific cell\n\n" }, { "path": "UTIL/create_ebi/template_RXNSU_OPT/hrdriver.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE CHEM( CGRID, JDATE, JTIME, TSTEP )\nC**********************************************************************\nC\nC FUNCTION: Driver subroutine for Euler Backward Iterative solver\nC\nR1 PRECONDITIONS: For the SAPRC99 family of mechanisms only\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: HRINIT, HRCALCKS, HRSOLVER\nR5C FIND_DEGRADED, INIT_DEGRADE, FINAL_DEGRADE\nC\nR2 REVISION HISTORY: Prototype created by Jerry Gipson, September, 2003\nC Based on the algorithm in \"Test of Two Numerical\nC Schemes for Use in Atmospheric Transport-Chemistry\nC Models\", O. Hertel, R. Berkowicz, J. Christensen,\nC and O. Hov, Atm Env., Vol. 27A, No. 16, 1993.\nC Original MEBI code developed by Ho-Chun Huang,\nC SUNY, Albany -- \"On the performance of numerical\nC solvers for a chemistry submodel in three-dimensional \nC air quality models 1. Box model simulations\", \nC H. Huang and J.S. Chang, JGR, Vol 106, No. D17, 2001.\nC This version replaces Huang and Chang use of numerical\nC solutions with analytical solutions derived in\nC Hertel et al.\nC 21 Jun 10 J.Young: convert for Namelist redesign\nC 11 May 11 D.Wong: incorporated twoway model implementation\nC 27 Sep 11 B.Hutzell: revised method for defining CALL_DEG variable\nC 18 Jul 14 B.Hutzell: revised: 1) to use the RXNS_DATA and RXNS_FUNCTION\nC modules instead of include files, 2) to enable \nC reactions between species types, 3) to calculate\nC heterogeneous rate constants via AEROSOL_CHEMISTRY\nC module, 4) to replace call to HRCALCKS with\nC subroutine in RXNS_FUNCTION module and 5) to change\nC how degrade routines are used, if present\nC 02 Dec 14 B.Hutzell: 1) added terrestrial data to conduct surface\nC dependent reactions and 2) modified the call CALC_RCONST \nC routine\nC 01 Feb 19 D.Wong: Implemented centralized I/O approach, removed all MY_N\nC clauses\nC**********************************************************************\n\n USE HGRD_DEFN ! horizontal domain specifications\n USE VGRD_DEFN ! vertical layer specifications \n USE CGRID_SPCS ! CGRID mechanism species\n USE UTILIO_DEFN ! IOAPI parameters and functions declarations\n USE RXNS_DATA\n USE AEROSOL_CHEMISTRY\n USE RXNS_FUNCTION\n#ifdef isam\n USE SA_IRR_DEFN \n USE SA_DEFN \n#endif\n USE HRDATA\n USE PHOT_MOD, Only: INIT_PHOT_SHARED, RJ ! photolysis rate, in-line module\n USE PA_DEFN, Only: LIRR ! Process Analysis control and data variable\n USE PA_IRR_CLT\nR5#ifndef isam\nR5 USE DEGRADE_ROUTINES, ONLY : N_REACT, RXTANT_MAP, DEG_LAY, DEG_COL, DEG_ROW,\nR5 & FIND_DEGRADED, INIT_DEGRADE, FINAL_DEGRADE\nR5#else \nR5 USE DEGRADE_ROUTINES, ONLY : N_REACT, RXTANT_MAP, SA_DEGRADE_EXTRACT, \nR5 & FIND_DEGRADED, INIT_DEGRADE, FINAL_DEGRADE,\nR5 & SA_DEGRADE_UPLOAD, DEG_LAY, DEG_COL, DEG_ROW\nR5#endif\n USE CENTRALIZED_IO_MODULE, ONLY : INTERPOLATE_VAR, OCEAN, SZONE\n#ifdef sens\n USE DDM3D_CHEM\n Use DDM3D_DEFN, Only: DATENUM, STARTDATE, IPT, IDATE, HIGH, NP, NPMAX, CKTIME\n#endif \n\n IMPLICIT NONE \n\nC..Includes:\n INCLUDE SUBST_FILES_ID ! CMAQ files\n INCLUDE SUBST_CONST ! CMAQ constants\n \n INCLUDE SUBST_EMISPRM ! Emissions processing control parameters\n\nC..Arguments:\n REAL, POINTER :: CGRID( :,:,:,: ) ! Species concentrations\n INTEGER JDATE ! Current date (YYYYDDD)\n INTEGER JTIME ! Current time (HHMMSS)\n INTEGER TSTEP( 3 ) ! Time step vector (HHMMSS)\n\nC..Parameters:\n REAL( 8 ), PARAMETER :: DCONMIN = 1.0D-30 ! minimum species concentration allowed\n REAL, PARAMETER :: CONCMIN = 1.0E-30 ! minimum species concentration allowed\n REAL, PARAMETER :: MAOMV = 1.0E6 * MWAIR / MWWAT ! Mol Wt of air over Mol Wt of water times 1.0E6\n\nC..External Functions:\n\n\nC..Saved Local Variables:\n\n CHARACTER( 16 ), SAVE :: PNAME = 'HRDRIVER' ! Program name\n\n INTEGER, SAVE :: ISTFL ! Unit no. of iteration stat output file\n LOGICAL, SAVE :: LFIRST = .TRUE. ! Flag for first call to this subroutine\n\n REAL( 8 ), SAVE :: PA2ATM ! Pascal to atm conv fac\n\nC..Scratch Local Variables:\n CHARACTER( 132 ) :: MSG ! Message text\n CHARACTER( 16 ) :: VNAME ! Name of I/O API data variable\n \n INTEGER C, E, L, R, S ! Loop indices\n INTEGER ISP ! array index\n\n INTEGER AVGEBI ! Average no. of EBI iterations\n INTEGER DELT_SEC ! EBI max time step in seconds\n INTEGER ESP ! Loop index for emissions species\n INTEGER ITMSTEP ! Chemistry integration interval (sec) \n INTEGER LEV ! Layer index\n INTEGER MIDDATE ! Date at time step midpoint\n INTEGER MIDTIME ! Time at time step midpoint\n INTEGER NPH ! Index for number of phot. rxns in PHOT\n INTEGER SPC ! Species loop index\n#ifdef hrstats \n INTEGER MNEBI ! Min no. of EBI iterations\n INTEGER MXEBI ! Max no. of EBI iterations\n#endif\n \n LOGICAL LSUNLIGHT ! Flag for sunlight\n\n REAL INV_DENS ! reciprocal of air mass density, m3/Kg\n#ifdef hrstats \n REAL SUMEBI ! Sum of EBI iterations\n#endif\n\n INTERFACE \n SUBROUTINE HRSOLVER( JDATE, JTIME, C, R, L )\nR0\n INTEGER, INTENT( IN ) :: JDATE ! Current date (YYYYDDD)\n INTEGER, INTENT( IN ) :: JTIME ! Current time (HHMMSS)\n INTEGER, INTENT( IN ) :: C, R, L ! Cell col, row, lev\n END SUBROUTINE HRSOLVER\n SUBROUTINE HETCHEM_UPDATE_AERO( CGRID )\n REAL, POINTER :: CGRID( :,:,:,: ) ! species concentration in cell\n END SUBROUTINE HETCHEM_UPDATE_AERO \n END INTERFACE\n\nC**********************************************************************\n\n IF( NUMB_MECH_SPC .EQ. 0 ) RETURN\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc On first call, call routines to set-up for EBI solver \nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n IF( LFIRST ) THEN\n\nR3 IF( MECHNAME .NE. 'SAPRC99 ' .AND.\nR3 & MECHNAME .NE. 'SAPRC99_AQ ' .AND.\nR3 & MECHNAME .NE. 'SAPRC99_AE ' .AND. \nR3 & MECHNAME .NE. 'SAPRC99_AE2 ' .AND. \nR3 & MECHNAME .NE. 'SAPRC99_AE3 ' .AND.\nR3 & MECHNAME .NE. 'SAPRC99_AE4 ' .AND. \nR3 & MECHNAME .NE. 'SAPRC99_AE_AQ ' .AND.\nR3 & MECHNAME .NE. 'SAPRC99_AE2_AQ ' .AND.\nR3 & MECHNAME .NE. 'SAPRC99_AE3_AQ ' ) THEN\nR3 & MECHNAME .NE. 'SAPRC99_AE4_AQ ' ) THEN\n MSG = 'This version of the EBI solver can only be used with' \nR4 & // ' the SAPRC99 chemical mechanisms' \n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n#ifdef emis_chem\n EMISVD = .FALSE.\n#else\n EMISVD = .TRUE.\n#endif\n\n IF( INDEX( MECHNAME, 'AE' ) .NE. 0 ) THEN\n L_AE_VRSN = .TRUE.\n ELSE\n L_AE_VRSN = .FALSE.\n END IF\n\n IF( INDEX( MECHNAME, 'AQ' ) .NE. 0 ) THEN\n L_AQ_VRSN = .TRUE.\n ELSE\n L_AQ_VRSN = .FALSE.\n END IF\n\n IF( LIRR ) THEN\n CALL_IRR = .TRUE.\n ELSE \n CALL_IRR = .FALSE.\n END IF \n\nR5 MODEL_SPECIES = NSPCSD ! WTH: find number of model species\nR5\nR5! Determine whether DEGRADE rountines are needed.\nR5\nR5 CALL FIND_DEGRADED( JDATE, JTIME, CALL_DEG )\nR5 IF( CALL_DEG )THEN\nR5 WRITE(LOGDEV,*)'TX DEGRADE ROUTINES USED'\nR5 WRITE(LOGDEV,*)'Mechanism contains degraded species'\nR5#ifdef verbose_gas\nR5 ELSE\nR5 WRITE(LOGDEV,*)'TX DEGRADE ROUTINES OMITTED'\nR5 WRITE(LOGDEV,*)'MECHANISM does not include degraded species'\nR5#endif\nR5 END IF\n\n CALL HRINIT\n\n ITMSTEP = TIME2SEC( TSTEP( 2 ) )\n CHEMSTEP = REAL( ITMSTEP, 8 ) / 60.0D0\n WRITE( LOGDEV, 92000 ) CHEMSTEP, DELTAT\n\n WRITE( LOGDEV, 92020 )\n DO SPC = 1, NUMB_MECH_SPC\n WRITE( LOGDEV, 92040 ) CHEMISTRY_SPC( SPC ), RTOL( SPC )\n END DO\n\n PA2ATM = REAL( 1.0 / STDATMPA, 8)\n\nc..If emissions processing requested stop\n IF( .NOT. EMISVD ) THEN ! assumes emis processing in gas chem\n\n MSG = 'ERROR: EBI solver not configured to '//\n & 'process emissions in chemistry'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n\n END IF ! End if doing emissions\n\n\n#ifdef hrstats \n ISTFL = JUNIT()\n OPEN( UNIT=ISTFL, FILE='iterstat.dat' )\n WRITE( ISTFL, 94020 )\n#endif\nC Define processor offsets\n\n PECOL_OFFSET = COLSD_PE( 1, MYPE+1 ) - 1\n PEROW_OFFSET = ROWSD_PE( 1, MYPE+1 ) - 1\n\n ALLOCATE( SEAWATER_ZONE( NCOLS, NROWS ) )\n DO R = 1, NROWS\n DO C = 1, NCOLS\n SEAWATER_ZONE( C,R ) = OCEAN( C,R ) + SZONE( C,R )\n END DO\n END DO\n\n ALLOCATE( DENS( NCOLS, NROWS, NLAYS ), PRES( NCOLS, NROWS, NLAYS ),\n & QV ( NCOLS, NROWS, NLAYS ), TA ( NCOLS, NROWS, NLAYS ),\n & SEAICE( NCOLS, NROWS ) )\n\nC..Initialize shared photolysis data\n CALL INIT_PHOT_SHARED()\n\nC..Determine which cells need IRR\n ALLOCATE( LFLAGIRR ( NCOLS, NROWS, NLAYS ) )\n CALL PA_IRR_CKCELLS ( LFLAGIRR )\n \n#ifdef isam\n NUMB_ISAM_CELLS = 1.0D0 / ( NCOLS * NROWS * NLAYS )\n CALL SA_IRR_INIT \n#endif\n\n#ifdef sens\n CALL INIT_DDM3D_CHEM()\n\nC For higher order sensitivities\n IF ( HIGH ) THEN\n DO RXN = 1, NRXNS\n IF( NREACT( RXN ) .EQ. 1 ) THEN\n ORDER1( RXN ) = .TRUE.\n ELSE\n ORDER1( RXN ) = .FALSE.\n END IF\n END DO\n END IF\n#endif\n\n LFIRST = .FALSE.\n\n END IF ! First time\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nC Set date and time to center of time step, get necessary physical \nC data\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n MIDDATE = JDATE\n MIDTIME = JTIME\n ITMSTEP = TIME2SEC( TSTEP( 2 ) )\n CHEMSTEP = REAL( ITMSTEP, 8 ) / 60.0D0\n CALL NEXTIME( MIDDATE, MIDTIME, SEC2TIME( ITMSTEP / 2 ) )\n\nC.. Compute number of time step loops and step size for EBI solver\n DELT_SEC = INT( DELTAT * 60.0D0 + 0.1D0 )\n IF( DELT_SEC .GE. ITMSTEP ) THEN\n N_EBI_STEPS = 2\n EBI_TMSTEP = 0.5D0 * CHEMSTEP\n ELSE\n IF( MOD( ITMSTEP, DELT_SEC ) .EQ. 0 ) THEN\n N_EBI_STEPS = ITMSTEP / DELT_SEC\n ELSE\n N_EBI_STEPS = ITMSTEP / DELT_SEC + 1\n END IF\n EBI_TMSTEP = CHEMSTEP / REAL( N_EBI_STEPS, 8 ) \n END IF\n\n N_INR_STEPS = 1\n\n \nC.. Get fractional seaice coverage from the METCRO2D file.\n\n CALL INTERPOLATE_VAR ('SEAICE', MIDDATE, MIDTIME, SEAICE)\n\nC.. Get ambient temperature in K\n\n CALL INTERPOLATE_VAR ('TA', MIDDATE, MIDTIME, TA)\n\nC.. Get specific humidity in Kg H2O / Kg air\n CALL INTERPOLATE_VAR ('QV', MIDDATE, MIDTIME, QV)\n\n! Get ambient MASS DENSITY in Kg/m^3\n CALL INTERPOLATE_VAR ('DENS', MIDDATE, MIDTIME, DENS)\n\nC.. Get pressure in Pascals\n CALL INTERPOLATE_VAR ('PRES', MIDDATE, MIDTIME, PRES)\n\nC.. Get Heteorogeneous rates and Update Aerosol Distribution Properties \n CALL HETCHEM_RATES( TA, PRES, QV, CGRID, DENS )\n\n#ifdef sens\n DATENUM = 1 + JDATE - STARTDATE ! Set the date and hour counters used in sensitivity calls\n\nC For reaction rate sensitivities\n DO NP = 1, NPMAX\n IF ( IPT( NP ) .EQ. 5 ) THEN\n CALL CKTIME( JDATE,JTIME,NP,RXNFLAG(NP) ) ! Rxnflag set to true iff ipt=5 and time, date within bounds\n IF ( IDATE( NP, DATENUM ) .NE. 1 ) RXNFLAG( NP ) = .FALSE.\n ELSE\n RXNFLAG( NP ) = .FALSE.\n END IF\n END DO\n\n#endif sens\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Top of loop over cells \nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n#ifdef hrstats \n MNEBI = 1000\n MXEBI = 0\n SUMEBI = 0.0\n#endif \n\n NCELL = 1\n \n DO L = 1, NLAYS\n DO R = 1, NROWS\n DO C = 1, NCOLS\n\nR5 DEG_LAY = L\nR5 DEG_ROW = R\nR5 DEG_COL = C\n\nc..reset CALL_IRR based on cell's values \n CALL_IRR = LFLAGIRR( C,R,L )\n\nc..Load ICs\n INV_DENS = 1.0 / DENS( C,R,L )\n DO SPC = 1, NUMB_MECH_SPC\n S = CGRID_INDEX( SPC )\n IF( CONVERT_CONC( SPC ) )THEN \n YC( SPC ) = REAL( MAX( CONCMIN, \n & INV_DENS*FORWARD_CONV( SPC )*CGRID( C,R,L,S )), 8 )\n ELSE\n YC( SPC ) = REAL( MAX( CGRID( C,R,L,S ), CONCMIN), 8 )\n END IF\n END DO\n\nR5 IF(CALL_DEG)THEN ! INITIALIZE degradation routines\nR5\nR5 YCCELL = 0.0D0\nR5 DO S = 1, MODEL_SPECIES\nR5 YCCELL( S ) = REAL( CGRID(C,R,L,S), 8)\nR5 END DO\nR5 CALL INIT_DEGRADE(YCCELL,TA(C,R,L),DENS(C,R,L),PRES(C,R,L),QV(C,R,L),RJIN(NCELL,:),\nR5 & JDATE, JTIME)\nR5\nR5#ifdef isam\nR5 CALL SA_DEGRADE_EXTRACT( C,R,L,DENS(C,R,L) )\nR5#endif \nR5 END IF\n\nc..Set physical quantities\n TEMP( NCELL ) = REAL( TA( C,R,L ), 8)\n DENSITY( NCELL ) = REAL( DENS( C,R,L ), 8)\n! PRESCELL( NCELL ) = REAL( PRES( C,R,L ), 8)\n ATMPRES( NCELL ) = PA2ATM * REAL( PRES( C,R,L ), 8)\n H2O( NCELL ) = REAL( MAX ( MAOMV * QV( C,R,L ), 0.0 ), 8)\n SEAWATER (NCELL) = MAX ( 0.0D0, ( REAL( SEAWATER_ZONE( C,R ) - SEAICE (C,R) ,8) ) )\n\nc..Get rate constants\n LSUNLIGHT = .FALSE.\n FORALL( NPH = 1:NPHOTAB ) RJIN( NCELL,NPH ) = REAL( RJ( C,R,L,NPH ), 8)\n IF( MAXVAL(RJIN) .GT. 0.0D0 ) LSUNLIGHT = .TRUE.\n\n FORALL ( NPH = 1:NHETERO )HET( NCELL,NPH ) = REAL( KHETERO( NPH,C,R,L ), 8)\n\n CALL CALC_RCONST( TEMP, ATMPRES, H2O, RJIN, HET, LSUNLIGHT, SEAWATER, RKI_SAV, NCELL )\n FORALL( NPH = 1:NRXNS )RKI( NPH ) = RKI_SAV( NCELL, NPH )\n\n#ifdef isam\n#if defined(isam) || defined(verbose_isam)\nC...For diagnosing IRR calculations in log files\n IF( CHECK_ISAM )THEN\n WRITE_CELL = .FALSE.\n IF( C .EQ. MAX(1, NCOLS/2) .AND. R .EQ. MAX(1,NROWS/2) .AND. L .EQ. 1 )THEN\n WRITE_CELL = .TRUE.\n WRITE(LOGDEV,*)'WRITE_CELL = .TRUE.'\n ELSE\n WRITE_CELL = .FALSE. \n END IF\n END IF \n#endif \n CALL SA_IRR_EXTRACT( C, R, L, DENS( C,R,L ),YC )\n#endif\n\nc..Call EBI solver\n N_EBI_IT = 0\n\n CALL HRSOLVER( JDATE, JTIME, C, R, L )\n\n#ifdef hrstats \n MXEBI = MAX( MXEBI, N_EBI_IT )\n MNEBI = MIN( MNEBI, N_EBI_IT )\n SUMEBI = SUMEBI + REAL( N_EBI_IT )\n#endif\n \n\nc..Update concentration array\n DO SPC = 1, NUMB_MECH_SPC\n S = CGRID_INDEX( SPC )\n IF( CONVERT_CONC( SPC ) )THEN\n CGRID( C,R,L,S ) = REAL( REVERSE_CONV( SPC ) * DENS( C,R,L )\n & * MAX( YC( SPC ), DCONMIN), 4)\n ELSE\n CGRID( C,R,L,S ) = REAL( MAX( YC( SPC ), DCONMIN), 4)\n END IF\n END DO\n\nR5 IF(CALL_DEG)THEN ! WTH: update based on degrade routines\nR5 CALL FINAL_DEGRADE(YCCELL)\nR5 UPDATE_DEGRADED: DO SPC = 1, N_REACT\nR5 ISP = RXTANT_MAP( SPC )\nR5 IF( ISP .LE. 0 )CYCLE UPDATE_DEGRADED\nR5 DO S = 1, NUMB_MECH_SPC\nR5 IF( CGRID_INDEX( S ) .EQ. ISP )CYCLE UPDATE_DEGRADED\nR5 END DO\nR5 CGRID(C,R,L,ISP) = REAL( YCCELL(ISP), 4)\nR5 END DO UPDATE_DEGRADED\nR5#ifdef isam\nR5 CALL SA_DEGRADE_UPLOAD( C,R,L,DENS(C,R,L) )\nR5#endif\nR5 END IF\n\n#ifdef isam\n CALL SA_IRR_UPLOAD( C, R, L, DENS( C,R,L ), YC )\n#endif\n\nc..update irrout arrays if needed \n IF ( LFLAGIRR( C,R,L ) )CALL PA_IRR_CELLENDF( C, R, L )\n#ifdef sens\n DO RXN = 1, NRXNS\n SRK( RXN ) = RKI( RXN )\n IF ( HIGH ) THEN\n IF ( ORDER1 (RXN ) ) THEN\n SRK2( RXN ) = 0.0\n ELSE\n SRK2( RXN ) = RKI( RXN )\n END IF\n END IF\n END DO\n\n\n CALL SOLVE_DDM3D_CHEM( C,R,L,CHEMSTEP )\n#endif\n\n END DO\n END DO\n END DO\n\n! Update Aerosol Surface Area\n CALL HETCHEM_UPDATE_AERO( CGRID )\n\n#ifdef hrstats \n AVGEBI = SUMEBI / REAL( NCOLS * NROWS * NLAYS )\n WRITE( ISTFL, 94040 ) JDATE, JTIME, MNEBI, AVGEBI, MXEBI\n#endif\n\n RETURN\n\nC*********************** FORMAT STATEMENTS ****************************\n\n92000 FORMAT( / 10X, 'Euler Backward Iterative Parameters -'\n & / 10X, 'Chemistry Integration Time Interval (min):', F12.4,\n & / 10X, 'EBI maximum time step (min): ', F12.4 )\n\n92020 FORMAT( //10X, 'Species convergence tolerances:' )\n\n92040 FORMAT( 10X, A16, 2X, 1PE12.2 )\n\n92060 FORMAT( / 10X, 'Emissions Processing in Chemistry ...'\n & / 10X, 'Number of Emissions Layers: ', I3\n & / 10X, 'out of total Number of Model Layers:', I3 )\n\n\n94020 FORMAT( 'DATE TIME ', 'MNEBI AVEBI MXEBI' )\n\n94040 FORMAT( I7, 1X, I6, 1X, 3( I5, 1X ) )\n END\n" }, { "path": "UTIL/create_ebi/template_RXNSU_OPT/hrg1.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\n SUBROUTINE HRG1( DTC )\n\nC**********************************************************************\nC\nC FUNCTION: To solve for the concentration of NO2, NO, O3, and O3P\nC algebraically. \nC\nR1 PRECONDITIONS: For SAPRC99 family of mechanisms only\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nR2 REVISION HISTORY: Prototype created by Jerry Gipson, January, 2003\nC\nC 18 Jul 14 B.Hutzell: revised to use real(8) variables \nC 01 Jun 18 B.Hutzell: replaced steady solution for O1D with backward Euler\nC approximation. To match conditions where the initial\nC concentration cannot be neglected.\nC**********************************************************************\n USE HRDATA\n\n IMPLICIT NONE \n\n\nC..INCLUDES: None\n\n\nC..ARGUMENTS:\n REAL( 8 ), INTENT( IN ) :: DTC ! Time step\n\n\nC..PARAMETERS: None\n\n\nC..EXTERNAL FUNCTIONS: NONE\n\n\nC..SAVED LOCAL VARIABLES:\n! CHARACTER( 16 ), SAVE :: PNAME = 'HRG1' ! Prgram Name\n\n \nC..SCRATCH LOCAL VARIABLES:\n REAL( 8 ) :: O1D_S ! sum of O1D loss frequencies\n REAL( 8 ) :: O3P_S ! stoich coeff for O3P from O1D\n\nRE REAL( 8 ) :: EXN_S ! sum of NO2EX loss frequencies\nRE REAL( 8 ) :: NO2_S ! stoich coeff for NO2 from NO2EX\n\n\n REAL( 8 ) :: R1_2 ! production term for NO from NO2\n REAL( 8 ) :: R2_1 ! production term for NO2 from NO\n REAL( 8 ) :: P1, P2, P3, P12 ! production terms for NO, NO2, O3, & O3P\n REAL( 8 ) :: L1, L2, L3, L12 ! loss terms for NO, NO2, O3, O3P\n REAL( 8 ) :: L1_INV, L2_INV, \n & L3_INV, L12_INV ! inverse of loss terms\n\n REAL( 8 ) :: T1, T2, T3, T4, T5 ! intermerdiate terms\n REAL( 8 ) :: F1, F2, F3 ! intermerdiate terms\n REAL( 8 ) :: A, B, C ! coefficients for quadratic equation\n REAL( 8 ) :: Q, XX, S1, S2 ! intermerdiate terms\n\n REAL( 8 ) :: RK1, RK2, RK3 ! rate constants\n\n REAL( 8 ) :: PO3 ! temp variable for O3\n\nC**********************************************************************\nS1\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc O1D2 Section\nc 1) sum of the rate constants for all O1D loss reactions\nc 2) get fractional yield of O3P from O1D loss\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n O1D_DNM = RKI( 19 ) + RKI( 20 )\n\n O3P_S = RKI( 20 ) / O1D_DNM\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc NO Section\nc R1_2 = production of NO from NO2 ( rates of form k[NO2][x] )\nc except NO2+NO3=NO+NO2 (it is treated as if it were NO3=NO )\nc P1 = remaining NO production terms\nc L1 = loss of NO (except rxns producing NO2 - they are in R2_1)\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n R1_2 = RKI( 1 ) ! NO2+hv=NO \n & + RKI( 5 ) * YC( O3P ) ! NO2+O3P=NO \n R1_2 = R1_2 * DTC \n\n P1 = RXRAT( 14 ) ! NO2+NO3=NO+NO2\n & + RXRAT( 15 ) ! NO3+hv=NO\n & + RXRAT( 22 ) ! HONO+hv=NO\n P1 = YC0( NCELL, NO ) + P1 * DTC\n\n L1 = RKI( 21 ) * YC( HO ) ! NO+HO=HONO\n & + RKI( 23 ) * YC( RO2_N ) ! NO+RO2_N=RNO3\n L1 = 1.0D0 + L1 * DTC\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc NO2 Section\nc R2_1 = production of NO2 from NO ( rates of form k[NO][x] )\nc a) NO+O3=NO2 not included\nc b) NO+NO3=2NO2 ( 1/2 of rate included )\nc c) NO3+NO2=NO+NO2 is not included for NO2\nc P2 = remaining NO2 production terms \nc a) NO+O3=NO2 not included\nc b) NO+NO3=2NO2 (1/2 of rate included )\nc L2 = loss of NO2 (except rxns producing NO2 - they are in R1_2)\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n R2_1 = RKI( 4 ) * YC( O3P ) ! NO+O3P=NO2 \n & + RKI( 9 ) * YC( NO3 ) ! NO+NO3=2*NO2 (1/2)\n & + 2.000D0 * RKI( 10 ) * YC( NO ) ! NO+NO=2*NO2\n & + RKI( 31 ) * YC( HO2 ) ! NO+HO2=NO2\n & + RKI( 46 ) * YC( C_O2 ) ! NO+C_O2=NO2\n & + RKI( 51 ) * YC( RO2_R ) ! NO+RO2_R=NO2\n & + RKI( 56 ) * YC( R2O2 ) ! NO+R2O2=NO2\n & + RKI( 62 ) * YC( RO2_N ) ! NO+RO2_N=NO2\n & + RKI( 71 ) * YC( CCO_O2 ) ! NO+CCO_O2=NO2\n & + RKI( 81 ) * YC( RCO_O2 ) ! NO+RCO_O2=NO2\n & + RKI( 92 ) * YC( BZCO_O2 ) ! NO+BZCO_O2=NO2\n & + RKI( 104 ) * YC( MA_RCO3 ) ! NO+MA_RCO3=NO2\n & + RKI( 128 ) * YC( HOCOO ) ! NO+HOCOO=NO2\n R2_1 = R2_1 * DTC\n\n P2 = RXRAT( 10 ) ! NO+NO3=2*NO2 (1/2)\n & + RXRAT( 12 ) ! N2O5=NO2\n & + RXRAT( 16 ) ! NO3+hv=NO2\n & + RXRAT( 23 ) ! HONO+hv=NO2\n & + RXRAT( 24 ) ! HONO+HO=NO2\n & + RXRAT( 26 ) ! NO3+HO=NO2\n & + RXRAT( 28 ) ! HNO3+hv=NO2\n & + RXRAT( 33 ) ! HNO4=NO2\n & + 0.610D0 * RXRAT( 34 ) ! HNO4+hv=0.610*NO2\n & + RXRAT( 35 ) ! HNO4+HO=NO2\n & + 0.800D0 * RXRAT( 39 ) ! NO3+HO2=0.800*NO2\n & + 2.000D0 * RXRAT( 40 ) ! NO3+NO3=2*NO2\n & + RXRAT( 48 ) ! NO3+C_O2=NO2\n & + RXRAT( 58 ) ! NO3+RO2_R=NO2\n & + RXRAT( 65 ) ! NO3+RO2_N=NO2\n & + RXRAT( 70 ) ! PAN=NO2\n & + RXRAT( 73 ) ! NO3+CCO_O2=NO2\n & + RXRAT( 80 ) ! PAN2=NO2\n & + RXRAT( 83 ) ! NO3+RCO_O2=NO2\n & + RXRAT( 91 ) ! PBZN=NO2\n & + RXRAT( 94 ) ! NO3+BZCO_O2=NO2\n & + RXRAT( 103 ) ! MA_PAN=NO2\n & + RXRAT( 106 ) ! NO3+MA_RCO3=NO2\n & + 0.338 * RXRAT( 176 ) ! RNO3+HO=0.338*NO2\n & + RXRAT( 177 ) ! RNO3+hv=NO2\n & + 0.187 * RXRAT( 191 ) ! NO3+ISOPRENE=0.187*NO2\n & + 0.474 * RXRAT( 195 ) ! NO3+TRP1=0.474*NO2\n & + 0.391D0 * RXRAT( 210 ) ! NO3+OLE2=0.391*NO2\n P2 = YC0( NCELL, NO2 ) + P2 * DTC\n\n L2 = RKI( 6 ) * YC( O3P ) ! NO2+O3P=NO3\n & + RKI( 9 ) * YC( O3 ) ! NO2+O3=NO3\n & + RKI( 12 ) * YC( NO3 ) ! NO2+NO3=N2O5\n & + RKI( 25 ) * YC( NO ) ! NO2+OH=HNO3\n & + RKI( 32 ) * YC( HO2 ) ! NO2+HO2=HNO4\n & + RKI( 69 ) * YC( CCO_O2 ) ! NO2+CCO_O2=PAN\n & + RKI( 79 ) * YC( RCO_O2 ) ! NO2+RCO_O2=PAN2\n & + RKI( 90 ) * YC( BZCO_O2 ) ! NO2+BZCO_O2=PBZN\n & + RKI( 102 ) * YC( MA_RCO3 ) ! NO2+MA_RCO3=MA_PAN\n & + 0.800D0 * RKI( 115 ) * YC( TBU_O ) ! NO2+TBU_O=RNO3\n & + RKI( 117 ) * YC( BZ_O ) ! NO2+BZ_O=NPHE\n & + RKI( 120 ) * YC( BZNO2_O ) ! NO2+BZNO2_O=\n L2 = 1.0D0 + L2 * DTC\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc O3 Section\nc P3 = production of O3 except O+O2=O3\nc except NO2+NO3=NO+NO2 (it is treated as if it were NO3=NO )\nc L3 = loss terms for O3 except NO+O3=NO2\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n P3 = 0.250D0 * RXRAT( 72 ) ! CCO_O2+HO2=0.250*O3\n & + 0.250D0 * RXRAT( 82 ) ! RCO_O2+HO2=0.250*O3\n & + 0.250D0 * RXRAT( 93 ) ! BZCO_O2+HO2=0.250*O3\n & + 0.250D0 * RXRAT( 105 ) ! MA_RCO3+HO2=0.250*O3\n P3 = YC0( NCELL, O3 ) + P3 * DTC\n\n L3 = RKI( 3 ) * YC( O3P ) ! O3+O3P=\n & + RKI( 8 ) * YC( NO2 ) ! O3+NO2=NO3\n & + RKI( 17 ) ! O3+hv=O3P\n & + RKI( 18 ) ! O3+hv=O1D2\n & + RKI( 30 ) * YC( HO ) ! O3+OH=HO2\n & + RKI( 36 ) * YC( HO2 ) ! O3+HO2=OH\n & + RKI( 162 ) * YC( METHACRO ) ! O3+METHACRO=\n & + RKI( 167 ) * YC( MVK ) ! O3+MVK=\n & + RKI( 171 ) * YC( ISOPROD ) ! O3+ISOPROD=\n & + RKI( 179 ) * YC( DCB1 ) ! O3+DCB1=\n & + RKI( 186 ) * YC( ETHENE ) ! O3+ETHENE=\n & + RKI( 190 ) * YC( ISOPRENE ) ! O3+ISOPRENE=\n & + RKI( 194 ) * YC( TRP1 ) ! O3+TRP1=\n & + RKI( 205 ) * YC( OLE1 ) ! O3+OLE1=\n & + RKI( 209 ) * YC( OLE2 ) ! O3+OLE2=\n L3 = 1.0D0 + L3 * DTC\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc O3P Section\nc P12 = production of O3P except NO2+hv=O3P (J1)\nc L12 = loss terms \ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n P12 = RXRAT( 16 ) ! NO3+hv=O3P\n & + RXRAT( 17 ) ! O3+hv=O3P\n & + O3P_S * RXRAT( 18 ) ! O3+hv=O1D2=>O3P\n P12 = YC0( NCELL, O ) + P12 * DTC \n\n L12 = RKI( 2 ) ! O3P=O3\n & + RKI( 4 ) * YC( NO ) ! O3P+NO=NO2\n & + RKI( 5 ) * YC( NO2 ) ! O3P+NO2=NO\n & + RKI( 6 ) * YC( NO2 ) ! O3P+NO=NO3\n & + RKI( 164 ) * YC( METHACRO ) ! O3P+METHACRO=\n & + RKI( 168 ) * YC( MVK ) ! O3P+MVK=\n & + RKI( 188 ) * YC( ETHENE ) ! O3P+ETHENE=\n & + RKI( 192 ) * YC( ISOPRENE ) ! O3P+ISOPRENE=\n & + RKI( 196 ) * YC( TRP1 ) ! O3P+TRP1=\n & + RKI( 207 ) * YC( OLE1 ) ! O3P+OLE1=\n & + RKI( 211 ) * YC( OLE2 ) ! O3P+OLE2=\n L12 = 1.0D0 + L12 * DTC\nS1\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Solution section\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\nc..compute reciprocal of loss terms\n L1_INV = 1.0D0 / L1\n L2_INV = 1.0D0 / L2\n L3_INV = 1.0D0 / L3\n L12_INV = 1.0D0 / L12\n\nc..compute specific k*delta t terms\nR3 RK1 = RKI( 1 ) * DTC ! J1 (NO2+hv=NO+O3P)\nR3 RK2 = RKI( 2 ) * DTC ! J2 (O3P+O2=O3)\nR3 RK3 = RKI( 3 ) * DTC ! k1_3 (NO+O3=NO2)\n\nc..compute terms that are used to calulate a,b & c\n T1 = RK1 * L2_INV ! J1 / ( 1.0 + Lno2 * dt )\n T2 = R1_2 * L2_INV ! r1,2 / ( 1.0 + Lno2 * dt)\n T3 = R2_1 * L1_INV ! r2,1 / ( 1.0 + Lno * dt)\n T4 = RK2 * L12_INV ! J2 / ( 1.0 + Lo3p * dt )\n T5 = T3 * P1 - T2 * P2 ! T3 * Pno - T2 * Pno2\n\n F1 = 1.0D0 + T2 + T3 ! factor in calculating a & b\n F2 = T1 * T4 ! factor in calculating a & b\n F3 = L3 * L1 + RK3 * P1 ! (1 + Lo3 * dt) (1 + lno * dt )\n ! + k1,3 * dt * Pno\n\n PO3 = P3 + P12 * T4 \n\n A = RK3 * ( F1 - F2 )\n\n B = F1 * F3 + RK3 * ( F2 * ( P2 - P1 ) + PO3 + T5 )\n\n C = RK3 * P1 * ( PO3 + P2 * F2 ) + F3 * T5\n\n Q = -0.5D0 * ( B + SIGN( 1.0D0, B ) * SQRT( B * B - 4.0D0 * A * C ) )\n\n XX = MAX( Q / A , C / Q )\n\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Species solutions\nc [NO] = ( P1 + x ) / ( 1 + L1 )\nc [NO2] = ( P2 - x ) / ( 1 + L2 )\nc [O3 ] = ( P3 + Ko3p->O3 ) / (1 + K1,3 * [NO] + L3 )\nc [O3P] = ( P12 + J1 * [NO2] ) / ( 1 + L12 )\nc [O1D] = ( yc0(o1d) + Ko3->o1d * [O3] *dtc) / ( 1 + O1D_S*dtc )\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nS2\n\n YCP( NCELL, NO ) = MAX( 0.0D0, ( P1 + XX ) * L1_INV )\n\n YCP( NCELL, NO2 ) = MAX( 0.0D0, ( P2 - XX ) * L2_INV )\n\n S1 = P12 + RK1 * YCP( NCELL, NO2 )\n\n S2 = T4 * S1\n\n YCP( O3 ) = ( P3 + S2 ) / ( L3 + RK3 * YCP( NO ) )\n\n YCP( O3P ) = S1 * L12_INV\n\n YCP( O1D2 ) = ( YC0( O1D2 ) + RKI( 18 ) * YCP( O3 ) * DTC )\n & / ( 1.0D0 + O1D_DNM * DTC )\n\n RETURN\n\n END\n \n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n \n" }, { "path": "UTIL/create_ebi/template_RXNSU_OPT/hrg2.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\n SUBROUTINE HRG2( DTC )\nC**********************************************************************\nC\nC FUNCTION: To solve for the concentration of HO, HO2, HONO, and\nC HNO4 alebraically. \nC\nR1 PRECONDITIONS: For SAPRC99 family of mechanisms only\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nR2 REVISION HISTORY: Prototype created by Jerry Gipson, September, 2003\nC\nC 18 Jul 14 B.Hutzell: revised to use real(8) variables \nC**********************************************************************\n USE HRDATA\n\n IMPLICIT NONE \n\n\nC..INCLUDES: None\n\n\nC..ARGUMENTS:\n REAL( 8 ), INTENT( IN ) :: DTC ! Time step\n\nC..PARAMETERS: None\n\n\nC..EXTERNAL FUNCTIONS: NONE\n\n\nC..SAVED LOCAL VARIABLES:\n! CHARACTER( 16 ), SAVE :: PNAME = 'HRG2' ! Program name\n\n \nC..SCRATCH LOCAL VARIABLES:\n REAL( 8 ) :: O1D_S ! sum of O1D loss frequencies\n REAL( 8 ) :: OH_S ! stoich coeff for OH from O1D+H2O or H2 \n REAL( 8 ) :: HO2_S ! stoich coeff for HO2 from O1D+H2 rxn\nRE REAL( 8 ) :: EXN_S ! sum of NO2EX loss frequencies\n REAL( 8 ) :: XOH_S ! stoich coeff for OH & HONO from NO2EX loss rxn\n REAL( 8 ) :: R4_19 ! production of OH from HONO\n REAL( 8 ) :: R19_4 ! production of HONO from OH\n REAL( 8 ) :: R4_5 ! production of OH from HO2\n REAL( 8 ) :: R5_4 ! production of HO2 from OH\n REAL( 8 ) :: R5_21 ! production of HO2 from HNO4\n REAL( 8 ) :: R21_5 ! production of HNO4 from HO2\n REAL( 8 ) :: P4, P5, P19, P21 ! species production form other paths \n REAL( 8 ) :: L4, L5, L19, L21 ! species loss terms\n\n REAL( 8 ) :: A, B, C ! coeffs of quadratic eq. for HO2\n REAL( 8 ) :: Q ! intermediate term\n\n REAL( 8 ) :: T1, T2, T3 ! intermediate terms\n\n REAL( 8 ) :: L21_INV ! reciprocal of HNO4 loss term\n\nC**********************************************************************\nS1\n\nc..stoichiometric coefficient for production of HO from O3 via O1D\n OH_S = 2.0D0D0 * RKI( 19 ) / ( RKI( 19 ) + RKI( 20 ) )\n\n\nc..Production of HO from HO2 (r4,5 terms )\n R4_5 = RKI( 31 ) * YC( NO ) ! HO2+NO=HO+NO2\n & + RKI( 36 ) * YC( O3 ) ! HO2+O3=HO\n & + 0.800D0 * RKI( 39 ) * YC( NO3 ) ! HO2+NO3=0.8*HO\n\n R4_5 = R4_5 * DTC\n\nc..Production of HO from HONO (r4,19 terms )\n R4_19 = RKI( 22 ) * DTC ! HONO+hv=HO+NO\n\nc..Remaining HO production\n P4 = OH_S * RXRAT( 18 ) ! O3+Hv=>O1D2=2*HO\n & + RXRAT( 28 ) ! HNO3+hv=HO\n & + 0.390D0 * RXRAT( 34 ) ! HNO4+hv=0.39*HO\n & + 2.000D0 * RXRAT( 41 ) ! HO2H+hv=2*HO\n & + RXRAT( 142 ) ! COOH=HO\n & + RXRAT( 144 ) ! ROOH=HO\n & + 0.208D0 * RXRAT( 162 ) ! METHACRO+O3=0.208*HO\n & + 0.330D0 * RXRAT( 165 ) ! METHACRO+hv=0.330*HO\n & + 0.164D0 * RXRAT( 167 ) ! MVK+O3=0.164*HO\n & + 0.285D0 * RXRAT( 171 ) ! ISOPROD+O3=0.285*HO\n & + 0.500D0 * RXRAT( 179 ) ! DCB1+O3=0.500*HO\n & + 0.120D0 * RXRAT( 186 ) ! ETHENE+O3=0.120*HO\n & + 0.266D0 * RXRAT( 190 ) ! ISOPRENE+O3=0.266*HO\n & + 0.567D0 * RXRAT( 194 ) ! TRP1+O3=0.285*HO\n & + 0.155D0 * RXRAT( 205 ) ! OLE1+O3=0.155*HO\n & + 0.378D0 * RXRAT( 209 ) ! OLE2+O3=0.378*HO\n\n P4 = YC0( NCELL, HO ) + P4 * DTC\n\n \n\nc..Production of HO2 from OH ( r5,4 terms )\n R5_4 = RKI( 26 ) * YC( NO3 ) ! HO+NO3=HO2\n & + RKI( 29 ) * YC( CO ) ! HO+CO=HO2\n & + RKI( 30 ) * YC( O3 ) ! HO+O3=HO2\n & + RKI( 42 ) * YC( HO2H ) ! HO+HO2H=HO2\n & + RKI( 44 ) * YC( SO2 ) ! HO+SO2=HO2\n & + RKI( 45 ) ! HO+{H2}=HO2\n & + RKI( 125 ) * YC( HCHO ) ! HO+HCHO=HO2\n & + RKI( 140 ) * YC( MEOH ) ! HO+MEOH=HO2\n & + 0.630D0 * RKI( 147 ) * YC( GLY ) ! HO+GLY=0.63*HO2\n & + 0.379D0 * RKI( 174 ) * YC( PROD2 ) ! HO+PROD2=0.379*HO2\n & + 0.113D0 * RKI( 176 ) * YC( RNO3 ) ! HO+RNO3=0.113*HO2\n & + 0.121D0 * RKI( 198 ) * YC( ALK2 ) ! HO+ALK2=0.121*HO2+0.246*HO\n & + 0.224D0 * RKI( 202 ) * YC( ARO1 ) ! HO+ARO1=0.224*HO2\n & + 0.187D0 * RKI( 203 ) * YC( ARO2 ) ! HO+ARO2=0.187*HO2\n & + RKI( 212 ) * YC( HCOOH ) ! HO+HCOOH=HO2\n\n R5_4 = R5_4 * DTC\n\nc..Production of HO2 from HNO4 (r5,21 term )\n R5_21 = RKI( 33 ) ! HNO4=HO2\n & + 0.610D0 * RKI( 34 ) ! HNO4+hv=0.61*HO2\n\n R5_21 = R5_21 * DTC\n\nc..Remaining HO2 production terms\n P5 = RXRAT( 23 ) ! HONO+hv=HO2\n & + RXRAT( 46 ) ! C_O2+NO=HO2\n & + RXRAT( 48 ) ! C_O2+NO3=HO2\n & + 2.000D0 * RXRAT( 50 ) ! C_O2+C_O2=2*HO2\n & + RXRAT( 51 ) ! RO2_R+NO=HO2\n & + RXRAT( 53 ) ! RO2_R+NO3=HO2\n & + RXRAT( 54 ) ! RO2_R+C_O2=HO2\n & + RXRAT( 55 ) ! RO2_R+RO2_R=HO2\n & + RXRAT( 64 ) ! RO2_N+C_O2=HO2\n & + RXRAT( 65 ) ! RO2_N+NO3=HO2\n & + RXRAT( 66 ) ! RO2_N+RO2_R=HO2\n & + RXRAT( 68 ) ! RO2_N+RO2_N=HO2\n & + 2.000D0 * RXRAT( 123 ) ! HCHO+hv=2*HO2\n & + RXRAT( 127 ) ! HOCOO=HO2\n & + RXRAT( 128 ) ! HOCOO+NO=HO2\n & + RXRAT( 129 ) ! HCHO+NO3=HO2\n & + RXRAT( 131 ) ! CCHO=HO2\n & + RXRAT( 134 ) ! RCHO=HO2\n & + RXRAT( 142 ) ! COOH+hv=HO2\n & + RXRAT( 144 ) ! ROOH+hv=HO2\n & + 2.000D0 * RXRAT( 145 ) ! GLY+hv=2*HO2\n & + 0.630D0 * RXRAT( 148 ) ! GLY+NO3=0.63*HO2\n & + RXRAT( 149 ) ! MGLY+hv=HO2\n & + 0.008D0 * RXRAT( 162 ) ! METHACRO+O3=0.008*HO2\n & + 0.340D0 * RXRAT( 165 ) ! METHACRO+hv=0.340*HO2\n & + 0.06D04 * RXRAT( 167 ) ! MVK+O3=0.064*HO2\n & + 0.400D0 * RXRAT( 171 ) ! ISOPROD+O3=0.400*HO2\n & + 1.233D0 * RXRAT( 173 ) ! ISOPROD+hv=1.233*HO2\n & + 0.341D0 * RXRAT( 177 ) ! RNO3+hv=0.341*HO2\n & + 1.500D0 * RXRAT( 179 ) ! DCB1+O3=1.500*HO2\n & + 0.500D0 * RXRAT( 181 ) ! DCB2+hv=0.500*HO2\n & + 0.500D0 * RXRAT( 183 ) ! DCB3+hv=0.500*HO2\n & + 0.120D0 * RXRAT( 186 ) ! ETHENE+O3=0.120*HO2\n & + 0.500D0 * RXRAT( 188 ) ! ETHENE+O3P=0.500*HO2\n & + 0.033D0 * RXRAT( 194 ) ! TRP1+O3=0.033*HO2\n & + 0.056D0 * RXRAT( 205 ) ! OLE1+O3=0.056*HO2\n & + 0.003D0 * RXRAT( 209 ) ! OLE2+O3=0.003*HO2\n & + 0.013D0 * RXRAT( 211 ) ! OLE2+O3P=0.013*HO2\n\n P5 = YC0( NCELL, HO2 ) + P5 * DTC\n\n\nc..Production of HONO from OH (r19,4 terms )\n R19_4 = RKI( 21 ) * YC( NO ) * DTC ! HO+NO=HONO\n\n\nc..Remaining HONO production terms\n P19 = YC0( NCELL, HONO ) \n\n\nc..Production of HNO4 from HO2 (r21,5 term )\n R21_5 = RKI( 32 ) * YC( NO2 ) * DTC ! HO2+NO2=HNO4\n\nc..Remaining HNO4 production terms\n P21 = YC0( NCELL, HNO4 ) \n\n\nc..OH Loss terms not in R5_4 & R19_4\n L4 = RKI( 24 ) * YC( HONO ) ! HO+HONO=NO2\n & + RKI( 25 ) * YC( NO2 ) ! HO+NO2=HNO3\n & + RKI( 27 ) * YC( HNO3 ) ! HO+HNO3=NO3\n & + RKI( 35 ) * YC( HNO4 ) ! HO+HNO4=NO2\n & + RKI( 43 ) * YC( HO2 ) ! HO+HO2=\n & + RKI( 130 ) * YC( CCHO ) ! HO+CCHO=\n & + RKI( 133 ) * YC( RCHO ) ! HO+RCHO=\n & + RKI( 136 ) * YC( ACET ) ! HO+ACET=\n & + RKI( 138 ) * YC( MEK ) ! HO+MEK=\n & + 0.650D0 * RKI( 141 ) * YC( COOH ) ! HO+COOH=0.35*HO\n & + 0.340D0 * RKI( 143 ) * YC( ROOH ) ! HO+ROOH=0.66*HO\n & + 0.370D0 * RKI( 147 ) * YC( GLY ) ! HO+GLY=0.63*HO2\n & + RKI( 150 ) * YC( MGLY ) ! HO+MGLY=\n & + RKI( 153 ) * YC( PHEN ) ! HO+PHEN=\n & + RKI( 155 ) * YC( CRES ) ! HO+CRES=\n & + RKI( 158 ) * YC( BALD ) ! HO+BALD=\n & + RKI( 161 ) * YC( METHACRO ) ! HO+METHACRO=\n & + RKI( 166 ) * YC( MVK ) ! HO+MVK=\n & + RKI( 170 ) * YC( ISOPROD ) ! HO+ISOPROD=\n & + 0.621D0 * RKI( 174 ) * YC( PROD2 ) ! HO+PROD2=0.379*HO2\n & + 0.887D0 * RKI( 176 ) * YC( RNO3 ) ! HO+RNO3=0.113*HO2\n & + RKI( 178 ) * YC( DCB1 ) ! HO+DCB1=\n & + RKI( 180 ) * YC( DCB2 ) ! HO+DCB2=\n & + RKI( 182 ) * YC( DCB3 ) ! HO+DCB3=\n & + RKI( 184 ) ! HO+{CH4}=\n & + RKI( 185 ) * YC( ETHENE ) ! HO+ETHENE=\n & + RKI( 189 ) * YC( ISOPRENE ) ! HO+ISOPRENE=\n & + RKI( 193 ) * YC( TRP1 ) ! HO+TRP1=\n & + RKI( 197 ) * YC( ALK1 ) ! HO+ALK1=\n & + 0.633D0 * RKI( 198 ) * YC( ALK2 ) ! HO+ALK2=0.246HO+0.121HO2\n & + RKI( 199 ) * YC( ALK3 ) ! HO+ALK3=\n & + RKI( 200 ) * YC( ALK4 ) ! HO+ALK4=\n & + RKI( 201 ) * YC( ALK5 ) ! HO+ALK5=\n & + 0.776D0 * RKI( 202 ) * YC( ARO1 ) ! HO+ARO1=0.224*HO2\n & + 0.813D0 * RKI( 203 ) * YC( ARO2 ) ! HO+ARO2=0.187*HO2\n & + RKI( 204 ) * YC( OLE1 ) ! HO+OLE1=\n & + RKI( 208 ) * YC( OLE2 ) ! HO+OLE2=\n & + RKI( 213 ) * YC( CCO_OH ) ! HO+CCO_OH=\n & + RKI( 214 ) * YC( RCO_OH ) ! HO+RCO_OH=\n\n L4 = 1.0D0 + L4 * DTC + R5_4 + R19_4\n\n\n\nc..HO2 Loss terms not included in R4_5 & R21_5 (except for HO2+HO2 )\n L5 = 0.200D0 * RKI( 39 ) * YC( NO3 ) ! HO2+NO3=0.8*HO \n & + RKI( 43 ) * YC( HO ) ! HO2+HO=\n & + RKI( 47 ) * YC( C_O2 ) ! HO2+C_O2=\n & + RKI( 52 ) * YC( RO2_R ) ! HO2+RO2_R=\n & + RKI( 63 ) * YC( RO2_N ) ! HO2+RO2_N=\n & + RKI( 72 ) * YC( CCO_O2 ) ! HO2+CCO_O2=\n & + RKI( 82 ) * YC( RCO_O2 ) ! HO2+RCO_O2=\n & + RKI( 93 ) * YC( BZCO_O2 ) ! HO2+BZCO_O2=\n & + RKI( 105 ) * YC( MA_RCO3 ) ! HO2+MA_RCO3=\n & + RKI( 118 ) * YC( BZ_O ) ! HO2+BZ_O=\n & + RKI( 121 ) * YC( BZNO2_O ) ! HO2+BZNO2_O=\n & + RKI( 126 ) * YC( HCHO ) ! HO2+HCHO=\n\n L5 = 1.0D0 + L5 * DTC + R4_5 + R21_5\n\n\nc..HONO loss terms not included in R4_19\n L19 = + RKI( 23 ) ! HONO+hv=HO2\n & + RKI( 24 ) * YC( HO ) ! HONO+HO=NO2\n\n L19 = 1.0D0 + L19 * DTC + R4_19\n\n\nc..HNO4 loss terms not inluded in R5_21\n L21 = 0.390D0 * RKI( 34 ) ! HNO4+hv=0.61HO2+0.39HO\n & + RKI( 35 ) * YC( HO ) ! HNO4+HO=NO2\n\n L21 = 1.0D0 + L21 * DTC + R5_21\n\nS1\n\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Solution section\nccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n \nc..compute terms used to calculate a,b & c\n L21_INV = 1.0D0 / L21\n T1 = 1.0D0 / ( L4 * L19 - R4_19 * R19_4 )\n T2 = R5_4 * T1\n T3 = R5_21 * L21_INV\n\nR3c..solve quadratic equation for HO2\nR4 A = 2.0D0 * ( RKI( 37 ) + RKI( 38 ) ) * DTC\n\n B = L5 - T3 * R21_5 - T2 * R4_5 * L19\n\n C = P5 + T3 * P21 + T2 * ( P4 * L19 + P19 * R4_19 )\n\n Q = -0.5D0 * ( B + SIGN( 1.0D0, B ) * SQRT( B * B + 4.0D0 * A * C ) )\n\nR5 YCP( NCELL, HO2 ) = MAX( Q / A , -C / Q )\n\nc..compute remaining species concentrations\nR6 YCP( NCELL, HO ) = ( ( P4 + R4_5 * YCP( NCELL, HO2 ) ) * L19 + R4_19 * P19 ) * T1\n\nR7 YCP( NCELL, HNO4 ) = ( P21 + R21_5 * YCP( NCELL, HO2 ) ) * L21_INV\n\nR8 YCP( NCELL, HONO ) = ( P19 + R19_4 * YCP( NCELL, HO ) ) / L19\n\n RETURN\n\n END\n\n\n" }, { "path": "UTIL/create_ebi/template_RXNSU_OPT/hrg3.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE HRG3( DTC )\n\nC**********************************************************************\nC\nC FUNCTION: To solve for the concentration of C2O3 and PAN\nC \nR1 PRECONDITIONS: For SAPRC99 family of mechanisms only\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nR2 REVISION HISTORY: Prototype created by Jerry Gipson, September, 2003\nC\nC 18 Jul 14 B.Hutzell: revised to use real(8) variables \nC**********************************************************************\n USE HRDATA\n\n IMPLICIT NONE \n\nC..INCLUDES: NONE\n\nC..ARGUMENTS: \n REAL( 8 ), INTENT( IN ) :: DTC ! Time step\n\n\nC..PARAMETERS: NONE\n\n\nC..EXTERNAL FUNCTIONS: NONE\n\n\nC..SAVED LOCAL VARIABLES:\n! CHARACTER( 16 ), SAVE :: PNAME = 'HRG3' ! Program name\n\n \nC..SCRATCH LOCAL VARIABLES:\n REAL( 8 ) :: A, B, C, Q ! Quadratic equation terms\n REAL( 8 ) :: CMN ! Temp scalar\n REAL( 8 ) :: L8 ! Loss of CCO_O2\n REAL( 8 ) :: L9 ! Loss of PAN\n REAL( 8 ) :: P8 ! Production of CCO_O2\n\nR3 REAL( 8 ) :: K8_8 ! Kcco_o2+cco_o2 x delta t\nR3 REAL( 8 ) :: R8_9 ! Kpan-->cco_o2 x delta t\nR3 REAL( 8 ) :: R9_8 ! Kcco_o2+no2-->pan\n\nC**********************************************************************\n\nS1\n\nc..Production rate of CCO_O2 (except from PAN )\n\n PCCO_O2 = RXRAT( 104 ) + RXRAT( 106 ) + \n & RXRAT( 112 ) +\n & RXRAT( 113 ) + 2.000D0 * RXRAT( 114 ) +\n & RXRAT( 130 ) + RXRAT( 132 ) +\n & RXRAT( 136 ) + RXRAT( 137 ) +\n & 0.492D0 * RXRAT( 138 ) + RXRAT( 139 ) +\n & RXRAT( 149 ) + RXRAT( 150 ) +\n & RXRAT( 151 ) + 2.000D0 * RXRAT( 152 ) +\n & 0.670D0 * RXRAT( 165 ) + 0.675D0 * RXRAT( 166 ) +\n & 0.467D0 * RXRAT( 173 ) + 0.029D0 * RXRAT( 174 ) +\n & 0.667D0 * RXRAT( 175 ) + RXRAT( 180 ) +\n & 0.500D0 * RXRAT( 181 ) + RXRAT( 182 ) +\n & 0.500D0 * RXRAT( 183 ) + 0.123D0 * RXRAT( 194 ) +\n & 0.011D0 * RXRAT( 200 ) + 0.137D0 * RXRAT( 209 ) \n\n\n \nc..Loss frequency of CCO_O2 ( not including CCO_O2 + CCO_O2 )\n LCCO_O2 = RKI( 69 ) * YC( NO2 ) + \n & RKI( 71 ) * YC( NO ) +\n & RKI( 72 ) * YC( HO2 ) +\n & RKI( 73 ) * YC( NO3 ) +\n & RKI( 74 ) * YC( C_O2 ) +\n & RKI( 75 ) * YC( RO2_R ) +\n & RKI( 77 ) * YC( RO2_N ) +\n & RKI( 88 ) * YC( RCO_O2 ) +\n & RKI( 99 ) * YC( BZCO_O2 ) \n\n\nc..Loss frequency of PAN\n LPAN = RKI( 70 ) \n\nc....R8_8 = K for CCO_O2+CCO_O2= times delta t\nc....R8_9 = K for CCO_O2+NO2=PAN times delta t times [NO2]\nc....R8_9 = K for PAN=C2O3+NO2 times delta t\n\n R8_8 = RKI( 78 ) * DTC\n R8_9 = RKI( 70 ) * DTC\n R9_8 = RKI( 69 ) * YC( NO2 ) * DTC\n\nS1\n\nR4..Solution of quadratic equation to get CCO_O2 & PAN\n CMN = 1.0 + L9 * DTC\n A = 2.0D0 * K8_8 * CMN\n B = CMN * ( 1.0D0 + L8 * DTC ) - R8_9 * R9_8\nR5 C = CMN * ( YC0( NCELL, CCO_O2 ) + P8 * DTC ) + R8_9 * YC0( NCELL, PAN )\n\n Q = -0.5D0 * ( B + SIGN( 1.0D0, B ) * SQRT( B * B + 4.0D0 * A * C ) )\n\nR6 YCP( NCELL, CCO_O2 ) = MAX( Q / A , -C / Q )\n\nR7 YCP( NCELL, PAN ) = ( YC0( NCELL, PAN ) + R8_9 * YCP( NCELL, CCO_O2 ) ) / CMN\n\n RETURN\n\n END \n" }, { "path": "UTIL/create_ebi/template_RXNSU_OPT/hrg4.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE HRG4( DTC )\n\nC**********************************************************************\nC\nC FUNCTION: To solve for the concentration of NO3 and N2O5\nC\nR1 PRECONDITIONS: For SAPRC99 family of mechanisms only\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nR2 REVISION HISTORY: Prototype created by Jerry Gipson, September, 2003\nC\nC 18 Jul 14 B.Hutzell: revised to use real(8) variables \nC**********************************************************************\n USE HRDATA\n\n IMPLICIT NONE \n\n\nC..INCLUDES: NONE\n\n\nC..ARGUMENTS: \n REAL( 8 ), INTENT( IN ) :: DTC ! Time step\n\n\nC..PARAMETERS: NONE\n\n\nC..EXTERNAL FUNCTIONS: NONE\n\n\nC..SAVED LOCAL VARIABLES:\n! CHARACTER( 16 ), SAVE :: PNAME = 'HRG4' ! Program name\n\n \nC..SCRATCH LOCAL VARIABLES:\nR3 REAL( 8 ) :: A, B, C, Q ! Quadratic equation terms\nR3 REAL( 8 ) :: CMN ! Temp scalar\nR3 REAL( 8 ) :: L15 ! Loss of NO3\nR3 REAL( 8 ) :: L16 ! Loss of N2O5\nR3 REAL( 8 ) :: P15 ! Production of NO3\n\nR3 REAL( 8 ) :: R040DT ! Kno3+no3 x delta t\nR3 REAL( 8 ) :: R012DT ! Kn2o5-->no3 x delta t\nR3 REAL( 8 ) :: R011DT ! Kno3+no2-->n2o5\n\nC**********************************************************************\n\nS1\n\nc..Production of NO3 (except from N2O5 )\n PNO3 = RXRAT( 6 ) + RXRAT( 8 ) + RXRAT( 27 ) +\n & 0.390D0 * RXRAT( 34 )\n\nc..Loss frequncy of NO3 ( excluding NO3 + NO3 ) \n LNO3 = RKI( 9 ) * YC( NO ) + RKI( 11 ) * YC( NO2 ) +\n & RKI( 14 ) * YC( NO2 ) + RKI( 15 ) +\n & RKI( 16 ) + RKI( 26 ) * YC( HO ) +\n & RKI( 39 ) * YC( HO2 ) + RKI( 48 ) * YC( C_O2 ) +\n & RKI( 53 ) * YC( RO2_R ) + RKI( 58 ) * YC( R2O2 ) + \n & RKI( 65 ) * YC( RO2_N ) + RKI( 73 ) * YC( CCO_O2 ) + \n & RKI( 83 ) * YC( RCO_O2 ) + RKI( 94 ) * YC( BZCO_O2 ) + \n & RKI( 106 ) * YC( MA_RCO3 ) + RKI( 129 ) * YC( HCHO ) + \n & RKI( 132 ) * YC( CCHO ) + RKI( 135 ) * YC( RCHO ) +\n & RKI( 148 ) * YC( GLY ) + RKI( 151 ) * YC( MGLY ) +\n & RKI( 154 ) * YC( PHEN ) + RKI( 156 ) * YC( CRES ) +\n & RKI( 157 ) * YC( NPHE ) + RKI( 160 ) * YC( BALD ) +\n & RKI( 163 ) * YC( METHACRO ) + RKI( 172 ) * YC( ISOPROD ) +\n & RKI( 187 ) * YC( ETHENE ) + RKI( 191 ) * YC( ISOPRENE ) +\n & RKI( 195 ) * YC( TRP1 ) + RKI( 206 ) * YC( OLE1 ) +\n & RKI( 210 ) * YC( OLE2 )\n\n\nc..Loss frequency of N2O5 \n LN2O5 = RKI( 12 ) + RKI( 13 )\n\n\nc..Solution of quadratic equation to get NO3 & N2O5\nc....R040DT = K for NO3+NO3= times delta t\nc....R011DT = K for NO3+NO2=N2O5 times delta t times [NO2]\nc....R012DT = K for N2O5=NO3+NO2 times delta t\n\n K15_15 = RKI( 40 ) * DTC\n R16_15 = RKI( 11 ) * YC( NO2 ) * DTC\n R15_16 = RKI( 12 ) * DTC\n\n CMN = 1.0D0 + L16 * DTC\n A = 2.0D0 * K15_15 * CMN\n B = CMN * ( 1.0D0 + LNO3 * DTC ) - R15_16 * R16_15\n C = CMN * ( YC0( NO3 ) + PNO3 * DTC ) + R15_16 * YC0( N2O5 )\n\n Q = -0.5D0 * ( B + SIGN( 1.0D0, B ) * SQRT( B * B + 4.0D0 * A * C ) )\n\n YCP( NO3 ) = MAX( Q / A , -C / Q )\n\n YCP( N2O5 ) = ( YC0( N2O5 ) + R16_15 * YCP( NO3 ) ) / CMN\n\nS1\n\n RETURN\n\n\n END\n" }, { "path": "UTIL/create_ebi/template_RXNSU_OPT/hrinit.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\n SUBROUTINE HRINIT\nC***********************************************************************\nC\nC FUNCTION: To initialize species tolerances, arrays, and indices \nC\nR1 PRECONDITIONS: For CB4 mechanisms only\nC\nC RETURN VALUES: None\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nR2 REVISION HISTORY: Prototype created by Jerry Gipson, January, 2002\nC 21 Jun 10 J.Young: convert for Namelist redesign\nC 18 Jul 14 B.Hutzell: revised to use the RXNS_DATA and RXNS_FUNCTION\nC modules instead of include files\nC***********************************************************************\n\n USE UTILIO_DEFN\n USE HRDATA\n USE RXNS_DATA\n USE RXNS_FUNCTION\n \n IMPLICIT NONE\n\nC.....INCLUDES:\n Include SUBST_CONST ! common constants\n\nC.....ARGUMENTS: NONE\n \nC.....PARAMETERS: NONE\n\n\nC.....SAVED VARIABLES:\n CHARACTER( 16 ), SAVE :: PNAME = 'HRINIT' ! Program name\n\n \nC.....LOCAL VARIABLES: \n CHARACTER( 132 ) :: MSG ! Log message\n\n INTEGER N ! Loop index\n INTEGER IOS ! Allocate error status\n\nC***********************************************************************\n\n N_SPEC = NUMB_MECH_SPC\n N_RXNS = NRXNS\nR3\n ALLOCATE( RKI( NRXNS ),\n & RKI_SAV( MAX_CELLS_EBI, NRXNS ),\n & FORWARD_CONV( NUMB_MECH_SPC),\n & REVERSE_CONV( NUMB_MECH_SPC),\n & RXRAT( NRXNS ),\n & RTOL( NUMB_MECH_SPC),\n & YC( NUMB_MECH_SPC),\n & YC0( NUMB_MECH_SPC),\n & YCP( NUMB_MECH_SPC),\n & PROD( NUMB_MECH_SPC),\n & LOSS( NUMB_MECH_SPC),\nR4 & PNEG( NUMB_MECH_SPC), \n & STAT = IOS )\n\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating RKI, RXRAT, RTOL, YC, YC0, YCP, FORWARD_CONV, '\n & // 'REVERSE_CONV, PROD, LOSS, or PNEG'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n ALLOCATE( ATMPRES( MAX_CELLS_EBI ), \n & H2O ( MAX_CELLS_EBI ),\n & TEMP ( MAX_CELLS_EBI ),\n & DENSITY( MAX_CELLS_EBI ),\n & HET ( MAX_CELLS_EBI, NHETERO ), \n & RJIN ( MAX_CELLS_EBI, NPHOTAB ), \n & SEAWATER ( MAX_CELLS_EBI ) ,\n & STAT = IOS )\n\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating ATMPRES, H2O, TEMP, HET, RJIN, SEAWATER '\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n\n IF( NSPECIAL .GT. 0 )THEN\n ALLOCATE( SYC( MAX_CELLS_EBI, NUMB_MECH_SPC ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating SYC'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n ALLOCATE( IOLD2NEW( NUMB_MECH_SPC, 1 ), STAT = IOS )\n IF ( IOS .NE. 0 ) THEN\n MSG = 'Error allocating IOLD2NEW'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\n END IF\n DO N = 1, NUMB_MECH_SPC\n IOLD2NEW( N, 1 ) = N\n END DO\n END IF\n\n IF( .NOT. MAP_CHEMISTRY_SPECIES() )THEN\n MSG = 'Detected above error(s) when mapping Chemistry species from CGRID species'\n CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT2 )\n END IF\n\n DO N = 1, NUMB_MECH_SPC\n FORWARD_CONV( N ) = 1.0E-3 * MWAIR / SPECIES_MOLWT( N )\n REVERSE_CONV( N ) = 1.0E+3 / MWAIR * SPECIES_MOLWT( N )\n END DO\n\n! initialize all reaction rates to zero so unused array elements are defined\n\n RXRAT = 0.0D0\n\n! initialize all production and loss rates to zero so unused array elements are defined\n \n PROD = 0.0D0\n LOSS = 0.0D0\n\n NING1 = 4\n NING2 = 4\n\nR5 ALLOCATE( YCCELL( MODEL_SPECIES), STAT = IOS ) ! array for degradation routines\nR5 IF ( IOS .NE. 0 ) THEN\nR5 MSG = 'Error allocating YCCELL '\nR5 CALL M3EXIT( PNAME, 0, 0, MSG, XSTAT1 )\nR5 END IF\n\n" }, { "path": "UTIL/create_ebi/template_RXNSU_OPT/hrprodloss.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE HRPRODLOSS\n\nC***********************************************************************\nC\nC FUNCTION: To compute the production and loss rates for EBI species \nC\nR1 PRECONDITIONS: For SAPRC99 family of mechanisms only\nC\nC RETURN VALUES: None\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nR2 REVISION HISTORY: Prototype created by Jerry Gipson, September, 2003\nC\nC 18 Jul 14 B.Hutzell: revised to use real(8) variables \n\nC***********************************************************************\n USE HRDATA\n\n IMPLICIT NONE\n\n\nC.....INCLUDES: NONE\n\n\nC.....ARGUMENTS: NONE \n\n\nC.....PARAMETERS: NONE\n\n\nC.....EXTERNAL FUNCTIONS: NONE\n\n\nC.....SAVED VARIABLES: NONE\n! CHARACTER( 16 ), SAVE :: PNAME = 'HRPRODLOSS' ! Program name\n\n\nC.....LOCAL VARIABLES: \n\n\nC***********************************************************************\n\nS1\n\n PROD( NCELL, HNO3 ) = 2.000 * RXRAT( 13 )\n & + RXRAT( 25 )\n & + 0.200 * RXRAT( 39 )\n & + RXRAT( 129 )\n & + RXRAT( 132 )\n & + RXRAT( 135 )\n & + RXRAT( 148 )\n & + RXRAT( 151 )\n & + RXRAT( 154 )\n & + RXRAT( 156 )\n & + RXRAT( 157 )\n & + RXRAT( 160 )\n & + 0.500 * RXRAT( 163 )\n & + 0.150 * RXRAT( 172 )\n LOSS( NCELL, HNO3 ) = RXRAT( 27 )\n & + RXRAT( 28 )\n\n PROD( NCELL, CO ) = RXRAT( 123 )\n & + RXRAT( 124 )\n & + RXRAT( 125 )\n & + RXRAT( 129 )\n & + RXRAT( 131 )\n & + 0.034 * RXRAT( 133 )\n & + RXRAT( 134 )\n & + 2.000 * RXRAT( 145 )\n & + RXRAT( 146 )\n & + 1.260 * RXRAT( 147 )\n & + 1.260 * RXRAT( 148 )\n & + RXRAT( 149 )\n & + RXRAT( 150 )\n & + RXRAT( 151 )\n & + 0.416 * RXRAT( 161 )\n & + 0.450 * RXRAT( 162 )\n & + 0.500 * RXRAT( 163 )\n & + 0.670 * RXRAT( 165 )\n & + 0.475 * RXRAT( 167 )\n & + 0.700 * RXRAT( 169 )\n & + 0.336 * RXRAT( 170 )\n & + 0.498 * RXRAT( 171 )\n & + 0.572 * RXRAT( 172 )\n & + 1.233 * RXRAT( 173 )\n & + RXRAT( 178 )\n & + 1.500 * RXRAT( 179 )\n & + RXRAT( 181 )\n & + RXRAT( 183 )\n & + 0.500 * RXRAT( 186 )\n & + 0.491 * RXRAT( 188 )\n & + 0.275 * RXRAT( 190 )\n & + 0.157 * RXRAT( 194 )\n & + 0.160 * RXRAT( 198 )\n & + 0.002 * RXRAT( 200 )\n & + 0.345 * RXRAT( 205 )\n & + 0.265 * RXRAT( 209 )\n & + 0.012 * RXRAT( 211 )\n LOSS( NCELL, CO ) = RXRAT( 29 )\n\n PROD( NCELL, HO2H ) = RXRAT( 37 )\n & + RXRAT( 38 )\n LOSS( NCELL, HO2H ) = RXRAT( 41 )\n & + RXRAT( 42 )\n\n PROD( NCELL, SO2 ) = 0.0\n LOSS( NCELL, SO2 ) = RXRAT( 44 )\n\n PROD( NCELL, SULF ) = RXRAT( 44 )\n LOSS( NCELL, SULF ) = 0.0\n\n PROD( NCELL, C_O2 ) = RXRAT( 71 )\n & + RXRAT( 73 )\n & + 2.000 * RXRAT( 78 )\n & + RXRAT( 88 )\n & + RXRAT( 99 )\n & + RXRAT( 111 )\n & + RXRAT( 116 )\n & + RXRAT( 131 )\n & + RXRAT( 137 )\n & + 0.650 * RXRAT( 141 )\n & + 0.300 * RXRAT( 169 )\n & + RXRAT( 184 )\n & + 0.300 * RXRAT( 188 )\n & + 0.250 * RXRAT( 192 )\n & + 0.011 * RXRAT( 200 )\n & + 0.076 * RXRAT( 205 )\n & + 0.197 * RXRAT( 209 )\n & + 0.030 * RXRAT( 210 )\n & + 0.870 * RXRAT( 213 )\n LOSS( NCELL, C_O2 ) = RXRAT( 46 )\n & + RXRAT( 47 )\n & + RXRAT( 48 )\n & + 2.000 * RXRAT( 49 )\n & + 2.000 * RXRAT( 50 )\n & + RXRAT( 54 )\n & + RXRAT( 64 )\n & + RXRAT( 74 )\n & + RXRAT( 84 )\n & + RXRAT( 95 )\n & + RXRAT( 107 )\n\n PROD( NCELL, HCHO ) = RXRAT( 46 )\n & + RXRAT( 48 )\n & + RXRAT( 49 )\n & + 2.000 * RXRAT( 50 )\n & + 0.750 * RXRAT( 54 )\n & + 0.750 * RXRAT( 64 )\n & + RXRAT( 74 )\n & + RXRAT( 84 )\n & + RXRAT( 95 )\n & + RXRAT( 104 )\n & + RXRAT( 106 )\n & + RXRAT( 107 )\n & + RXRAT( 111 )\n & + RXRAT( 112 )\n & + RXRAT( 113 )\n & + 2.000 * RXRAT( 114 )\n & + RXRAT( 127 )\n & + RXRAT( 136 )\n & + 0.115 * RXRAT( 138 )\n & + RXRAT( 140 )\n & + 0.350 * RXRAT( 141 )\n & + RXRAT( 142 )\n & + RXRAT( 146 )\n & + 0.084 * RXRAT( 161 )\n & + 0.200 * RXRAT( 162 )\n & + 0.670 * RXRAT( 165 )\n & + 0.300 * RXRAT( 166 )\n & + 0.100 * RXRAT( 167 )\n & + 0.055 * RXRAT( 170 )\n & + 0.125 * RXRAT( 171 )\n & + 0.227 * RXRAT( 172 )\n & + 0.300 * RXRAT( 173 )\n & + 0.213 * RXRAT( 174 )\n & + 0.506 * RXRAT( 175 )\n & + 0.010 * RXRAT( 176 )\n & + 0.134 * RXRAT( 177 )\n & + 1.610 * RXRAT( 185 )\n & + RXRAT( 186 )\n & + 0.191 * RXRAT( 188 )\n & + 0.624 * RXRAT( 189 )\n & + 0.592 * RXRAT( 190 )\n & + 0.240 * RXRAT( 192 )\n & + 0.276 * RXRAT( 193 )\n & + 0.235 * RXRAT( 194 )\n & + 0.039 * RXRAT( 198 )\n & + 0.026 * RXRAT( 199 )\n & + 0.024 * RXRAT( 200 )\n & + 0.026 * RXRAT( 201 )\n & + 0.732 * RXRAT( 204 )\n & + 0.500 * RXRAT( 205 )\n & + 0.244 * RXRAT( 208 )\n & + 0.269 * RXRAT( 209 )\n & + 0.079 * RXRAT( 210 )\n LOSS( NCELL, HCHO ) = RXRAT( 123 )\n & + RXRAT( 124 )\n & + RXRAT( 125 )\n & + RXRAT( 126 )\n & + RXRAT( 129 )\n\n PROD( NCELL, COOH ) = RXRAT( 47 )\n LOSS( NCELL, COOH ) = RXRAT( 141 )\n & + RXRAT( 142 )\n\n PROD( NCELL, MEOH ) = RXRAT( 49 )\n & + 0.250 * RXRAT( 54 )\n & + 0.250 * RXRAT( 64 )\n LOSS( NCELL, MEOH ) = RXRAT( 140 )\n\n PROD( NCELL, RO2_R ) = RXRAT( 81 )\n & + RXRAT( 83 )\n & + RXRAT( 88 )\n & + 2.000 * RXRAT( 89 )\n & + RXRAT( 100 )\n & + RXRAT( 112 )\n & + 0.034 * RXRAT( 133 )\n & + RXRAT( 134 )\n & + 0.370 * RXRAT( 138 )\n & + RXRAT( 139 )\n & + 0.340 * RXRAT( 143 )\n & + 0.760 * RXRAT( 153 )\n & + 0.760 * RXRAT( 155 )\n & + 0.500 * RXRAT( 161 )\n & + 0.100 * RXRAT( 162 )\n & + 0.500 * RXRAT( 163 )\n & + 0.330 * RXRAT( 165 )\n & + 0.300 * RXRAT( 166 )\n & + 0.050 * RXRAT( 167 )\n & + 0.670 * RXRAT( 170 )\n & + 0.048 * RXRAT( 171 )\n & + 0.799 * RXRAT( 172 )\n & + 0.473 * RXRAT( 174 )\n & + 0.960 * RXRAT( 175 )\n & + 0.376 * RXRAT( 176 )\n & + 0.564 * RXRAT( 177 )\n & + RXRAT( 178 )\n & + RXRAT( 181 )\n & + RXRAT( 183 )\n & + RXRAT( 185 )\n & + RXRAT( 187 )\n & + 0.200 * RXRAT( 188 )\n & + 0.907 * RXRAT( 189 )\n & + 0.066 * RXRAT( 190 )\n & + 0.749 * RXRAT( 191 )\n & + 0.750 * RXRAT( 193 )\n & + 0.031 * RXRAT( 194 )\n & + 0.276 * RXRAT( 195 )\n & + RXRAT( 197 )\n & + 0.612 * RXRAT( 198 )\n & + 0.695 * RXRAT( 199 )\n & + 0.835 * RXRAT( 200 )\n & + 0.653 * RXRAT( 201 )\n & + 0.765 * RXRAT( 202 )\n & + 0.804 * RXRAT( 203 )\n & + 0.910 * RXRAT( 204 )\n & + 0.022 * RXRAT( 205 )\n & + 0.824 * RXRAT( 206 )\n & + 0.918 * RXRAT( 208 )\n & + 0.033 * RXRAT( 209 )\n & + 0.442 * RXRAT( 210 )\n & + 0.012 * RXRAT( 211 )\n & + 0.130 * RXRAT( 213 )\n & + RXRAT( 214 )\n LOSS( NCELL, RO2_R ) = RXRAT( 51 )\n & + RXRAT( 52 )\n & + RXRAT( 53 )\n & + RXRAT( 54 )\n & + 2.000 * RXRAT( 55 )\n & + RXRAT( 66 )\n & + RXRAT( 75 )\n & + RXRAT( 85 )\n & + RXRAT( 96 )\n & + RXRAT( 108 )\n\n PROD( NCELL, ROOH ) = RXRAT( 52 )\n & + RXRAT( 63 )\n LOSS( NCELL, ROOH ) = RXRAT( 143 )\n & + RXRAT( 144 )\n\n PROD( NCELL, R2O2 ) = RXRAT( 92 )\n & + RXRAT( 94 )\n & + RXRAT( 99 )\n & + RXRAT( 100 )\n & + 2.000 * RXRAT( 101 )\n & + RXRAT( 113 )\n & + RXRAT( 136 )\n & + 0.616 * RXRAT( 138 )\n & + 0.675 * RXRAT( 166 )\n & + 0.515 * RXRAT( 175 )\n & + 0.596 * RXRAT( 176 )\n & + 0.152 * RXRAT( 177 )\n & + RXRAT( 180 )\n & + RXRAT( 181 )\n & + RXRAT( 182 )\n & + RXRAT( 183 )\n & + 0.079 * RXRAT( 189 )\n & + 0.126 * RXRAT( 190 )\n & + 0.187 * RXRAT( 191 )\n & + 0.240 * RXRAT( 192 )\n & + 0.500 * RXRAT( 193 )\n & + 0.729 * RXRAT( 194 )\n & + 0.750 * RXRAT( 195 )\n & + 0.559 * RXRAT( 199 )\n & + 0.936 * RXRAT( 200 )\n & + 0.948 * RXRAT( 201 )\n & + 0.205 * RXRAT( 204 )\n & + 0.488 * RXRAT( 206 )\n & + 0.001 * RXRAT( 208 )\n & + 0.137 * RXRAT( 209 )\n & + 0.711 * RXRAT( 210 )\n LOSS( NCELL, R2O2 ) = RXRAT( 56 )\n & + RXRAT( 57 )\n & + RXRAT( 58 )\n & + RXRAT( 59 )\n & + RXRAT( 60 )\n & + 2.000 * RXRAT( 61 )\n & + RXRAT( 67 )\n & + RXRAT( 76 )\n & + RXRAT( 86 )\n & + RXRAT( 97 )\n & + RXRAT( 109 )\n\n PROD( NCELL, RO2_N ) = 0.001 * RXRAT( 133 )\n & + 0.042 * RXRAT( 138 )\n & + 0.025 * RXRAT( 166 )\n & + 0.041 * RXRAT( 170 )\n & + 0.051 * RXRAT( 172 )\n & + 0.070 * RXRAT( 174 )\n & + 0.040 * RXRAT( 175 )\n & + 0.173 * RXRAT( 176 )\n & + 0.095 * RXRAT( 177 )\n & + 0.093 * RXRAT( 189 )\n & + 0.008 * RXRAT( 190 )\n & + 0.064 * RXRAT( 191 )\n & + 0.010 * RXRAT( 192 )\n & + 0.250 * RXRAT( 193 )\n & + 0.180 * RXRAT( 194 )\n & + 0.250 * RXRAT( 195 )\n & + 0.021 * RXRAT( 198 )\n & + 0.070 * RXRAT( 199 )\n & + 0.143 * RXRAT( 200 )\n & + 0.347 * RXRAT( 201 )\n & + 0.011 * RXRAT( 202 )\n & + 0.009 * RXRAT( 203 )\n & + 0.090 * RXRAT( 204 )\n & + 0.001 * RXRAT( 205 )\n & + 0.176 * RXRAT( 206 )\n & + 0.082 * RXRAT( 208 )\n & + 0.002 * RXRAT( 209 )\n & + 0.136 * RXRAT( 210 )\n & + 0.001 * RXRAT( 211 )\n LOSS( NCELL, RO2_N ) = RXRAT( 62 )\n & + RXRAT( 63 )\n & + RXRAT( 64 )\n & + RXRAT( 65 )\n & + RXRAT( 66 )\n & + 2.000 * RXRAT( 68 )\n & + RXRAT( 77 )\n & + RXRAT( 87 )\n & + RXRAT( 98 )\n & + RXRAT( 110 )\n\n PROD( NCELL, RNO3 ) = RXRAT( 62 )\n & + RXRAT( 115 )\n & + 0.572 * RXRAT( 172 )\n & + 0.276 * RXRAT( 195 )\n & + 0.511 * RXRAT( 206 )\n & + 0.321 * RXRAT( 210 )\n LOSS( NCELL, RNO3 ) = 0.690 * RXRAT( 176 )\n & + RXRAT( 177 )\n\n PROD( NCELL, MEK ) = 0.500 * RXRAT( 64 )\n & + RXRAT( 65 )\n & + 0.500 * RXRAT( 66 )\n & + RXRAT( 68 )\n & + 0.416 * RXRAT( 161 )\n & + 0.550 * RXRAT( 168 )\n & + 0.150 * RXRAT( 170 )\n & + 0.210 * RXRAT( 171 )\n & + 0.233 * RXRAT( 173 )\n & + 0.115 * RXRAT( NCE LL, 174 )\n & + 0.177 * RXRAT( 176 )\n & + 0.243 * RXRAT( 177 )\n & + 0.332 * RXRAT( 199 )\n & + 0.110 * RXRAT( 200 )\n & + 0.089 * RXRAT( 201 )\n & + 0.437 * RXRAT( 207 )\n & + 0.072 * RXRAT( 208 )\n & + 0.026 * RXRAT( 209 )\n & + 0.001 * RXRAT( 210 )\n & + 0.659 * RXRAT( 211 )\n LOSS( NCELL, MEK ) = RXRAT( 138 )\n & + RXRAT( 139 )\n\n PROD( NCELL, PROD2 ) = 0.500 * RXRAT( 64 )\n & + 0.500 * RXRAT( 66 )\n & + RXRAT( 68 )\n & + RXRAT( 77 )\n & + RXRAT( 87 )\n & + RXRAT( 98 )\n & + 0.700 * RXRAT( 169 )\n & + 0.332 * RXRAT( 170 )\n & + 0.048 * RXRAT( 176 )\n & + 0.435 * RXRAT( 177 )\n & + 0.100 * RXRAT( 190 )\n & + 0.750 * RXRAT( 192 )\n & + 0.276 * RXRAT( 193 )\n & + 0.276 * RXRAT( 194 )\n & + 0.853 * RXRAT( 196 )\n & + 0.125 * RXRAT( 200 )\n & + 0.417 * RXRAT( 201 )\n & + 0.055 * RXRAT( 202 )\n & + 0.119 * RXRAT( 204 )\n & + 0.215 * RXRAT( 205 )\n & + 0.113 * RXRAT( 207 )\n & + 0.006 * RXRAT( 209 )\n & + 0.259 * RXRAT( 211 )\n LOSS( NCELL, PROD2 ) = 0.671 * RXRAT( 174 )\n & + RXRAT( 175 )\n\n PROD( NCELL, CCO_OOH ) = 0.750 * RXRAT( 72 )\n LOSS( NCELL, CCO_OOH ) = 0.0\n\n PROD( NCELL, CCO_OH ) = 0.250 * RXRAT( 72 )\n & + RXRAT( 74 )\n & + RXRAT( 75 )\n & + RXRAT( 77 )\n & + 0.050 * RXRAT( 205 )\n & + 0.129 * RXRAT( 209 )\n LOSS( NCELL, CCO_OH ) = RXRAT( 213 )\n\n PROD( NCELL, RCO_O2 ) = RXRAT( 80 )\n & + 0.965 * RXRAT( 133 )\n & + RXRAT( 135 )\n & + 0.096 * RXRAT( 138 )\n & + 0.370 * RXRAT( 147 )\n & + 0.370 * RXRAT( 148 )\n & + 0.100 * RXRAT( 162 )\n & + 0.050 * RXRAT( 167 )\n & + 0.048 * RXRAT( 171 )\n & + 0.300 * RXRAT( 173 )\n & + 0.049 * RXRAT( 174 )\n & + 0.333 * RXRAT( 175 )\n & + 0.201 * RXRAT( 194 )\n & + 0.006 * RXRAT( 209 )\n LOSS( NCELL, RCO_O2 ) = RXRAT( 79 )\n & + RXRAT( 81 )\n & + RXRAT( 82 )\n & + RXRAT( 83 )\n & + RXRAT( 84 )\n & + RXRAT( 85 )\n & + RXRAT( 87 )\n & + RXRAT( 88 )\n & + 2.000 * RXRAT( 89 )\n & + RXRAT( 100 )\n & + RXRAT( 112 )\n\n PROD( NCELL, PAN2 ) = RXRAT( 79 )\n LOSS( NCELL, PAN2 ) = RXRAT( 80 )\n\n PROD( NCELL, CCHO ) = RXRAT( 81 )\n & + RXRAT( 83 )\n & + RXRAT( 88 )\n & + 2.000 * RXRAT( 89 )\n & + RXRAT( 100 )\n & + RXRAT( 112 )\n & + 0.034 * RXRAT( 133 )\n & + RXRAT( 134 )\n & + 0.482 * RXRAT( 138 )\n & + RXRAT( 139 )\n & + 0.129 * RXRAT( 170 )\n & + 0.047 * RXRAT( 171 )\n & + 0.467 * RXRAT( 173 )\n & + 0.084 * RXRAT( 174 )\n & + 0.246 * RXRAT( 175 )\n & + 0.439 * RXRAT( 176 )\n & + 0.431 * RXRAT( 177 )\n & + 0.195 * RXRAT( 185 )\n & + 0.250 * RXRAT( 188 )\n & + RXRAT( 197 )\n & + 0.445 * RXRAT( 199 )\n & + 0.455 * RXRAT( 200 )\n & + 0.099 * RXRAT( 201 )\n & + 0.294 * RXRAT( 204 )\n & + 0.154 * RXRAT( 205 )\n & + 0.009 * RXRAT( 206 )\n & + 0.732 * RXRAT( 208 )\n & + 0.456 * RXRAT( 209 )\n & + 0.507 * RXRAT( 210 )\n & + 0.605 * RXRAT( 214 )\n LOSS( NCELL, CCHO ) = RXRAT( 130 )\n & + RXRAT( 131 )\n & + RXRAT( 132 )\n\n PROD( NCELL, RCO_OOH ) = 0.750 * RXRAT( 82 )\n & + 0.750 * RXRAT( 93 )\n & + 0.750 * RXRAT( 105 )\n LOSS( NCELL, RCO_OOH ) = 0.0\n\n PROD( NCELL, RCO_OH ) = 0.250 * RXRAT( 82 )\n & + RXRAT( 84 )\n & + RXRAT( 85 )\n & + RXRAT( 87 )\n & + 0.250 * RXRAT( 93 )\n & + RXRAT( 95 )\n & + RXRAT( 96 )\n & + RXRAT( 98 )\n & + 0.250 * RXRAT( 105 )\n & + RXRAT( 107 )\n & + RXRAT( 108 )\n & + 2.000 * RXRAT( 110 )\n & + 0.372 * RXRAT( 171 )\n & + 0.150 * RXRAT( 190 )\n & + 0.189 * RXRAT( 194 )\n & + 0.119 * RXRAT( 205 )\n & + 0.303 * RXRAT( 209 )\n LOSS( NCELL, RCO_OH ) = RXRAT( 214 )\n\n PROD( NCELL, BZCO_O2 ) = RXRAT( 91 )\n & + RXRAT( 158 )\n & + RXRAT( 160 )\n LOSS( NCELL, BZCO_O2 ) = RXRAT( 90 )\n & + RXRAT( 92 )\n & + RXRAT( 93 )\n & + RXRAT( 94 )\n & + RXRAT( 95 )\n & + RXRAT( 96 )\n & + RXRAT( 98 )\n & + RXRAT( 99 )\n & + RXRAT( 100 )\n & + 2.000 * RXRAT( 101 )\n & + RXRAT( 113 )\n\n PROD( NCELL, PBZN ) = RXRAT( 90 )\n LOSS( NCELL, PBZN ) = RXRAT( 91 )\n\n PROD( NCELL, BZ_O ) = RXRAT( 92 )\n & + RXRAT( 94 )\n & + RXRAT( 99 )\n & + RXRAT( 100 )\n & + 2.000 * RXRAT( 101 )\n & + RXRAT( 113 )\n & + 0.240 * RXRAT( 153 )\n & + RXRAT( 154 )\n & + 0.240 * RXRAT( 155 )\n & + RXRAT( 156 )\n LOSS( NCELL, BZ_O ) = RXRAT( 117 )\n & + RXRAT( 118 )\n & + RXRAT( 119 )\n\n PROD( NCELL, MA_RCO3 ) = RXRAT( 103 )\n & + 0.500 * RXRAT( 161 )\n & + 0.500 * RXRAT( 163 )\n & + 0.330 * RXRAT( 165 )\n & + 0.300 * RXRAT( 169 )\n & + 0.289 * RXRAT( 170 )\n & + 0.150 * RXRAT( 172 )\n & + 0.192 * RXRAT( 190 )\n & + 0.240 * RXRAT( 192 )\n LOSS( NCELL, MA_RCO3 ) = RXRAT( 102 )\n & + RXRAT( 104 )\n & + RXRAT( 105 )\n & + RXRAT( 106 )\n & + RXRAT( 107 )\n & + RXRAT( 108 )\n & + RXRAT( 110 )\n & + RXRAT( 111 )\n & + RXRAT( 112 )\n & + RXRAT( 113 )\n & + 2.000 * RXRAT( 114 )\n\n PROD( NCELL, MA_PAN ) = RXRAT( 102 )\n LOSS( NCELL, MA_PAN ) = RXRAT( 103 )\n\n PROD( NCELL, TBU_O ) = 0.236 * RXRAT( 199 )\n LOSS( NCELL, TBU_O ) = RXRAT( 115 )\n & + RXRAT( 116 )\n\n PROD( NCELL, ACET ) = RXRAT( 116 )\n & + 0.006 * RXRAT( 176 )\n & + 0.020 * RXRAT( 177 )\n & + 0.130 * RXRAT( 194 )\n & + 0.417 * RXRAT( 198 )\n & + 0.024 * RXRAT( 199 )\n & + 0.452 * RXRAT( 200 )\n & + 0.072 * RXRAT( 201 )\n & + 0.005 * RXRAT( 204 )\n & + 0.001 * RXRAT( 205 )\n & + 0.024 * RXRAT( 206 )\n & + 0.127 * RXRAT( 208 )\n & + 0.045 * RXRAT( 209 )\n & + 0.102 * RXRAT( 210 )\n LOSS( NCELL, ACET ) = RXRAT( 136 )\n & + RXRAT( 137 )\n\n PROD( NCELL, NPHE ) = RXRAT( 117 )\n & + RXRAT( 121 )\n & + RXRAT( 122 )\n LOSS( NCELL, NPHE ) = RXRAT( 157 )\n\n PROD( NCELL, PHEN ) = RXRAT( 118 )\n & + RXRAT( 119 )\n & + 0.017 * RXRAT( 202 )\n LOSS( NCELL, PHEN ) = RXRAT( 153 )\n & + RXRAT( 154 )\n\n PROD( NCELL, BZNO2_O ) = RXRAT( 157 )\n LOSS( NCELL, BZNO2_O ) = RXRAT( 120 )\n & + RXRAT( 121 )\n & + RXRAT( 122 )\n\n PROD( NCELL, HOCOO ) = RXRAT( 126 )\n LOSS( NCELL, HOCOO ) = RXRAT( 127 )\n & + RXRAT( 128 )\n\n PROD( NCELL, HCOOH ) = RXRAT( 128 )\n & + 0.333 * RXRAT( 162 )\n & + 0.351 * RXRAT( 167 )\n & + 0.100 * RXRAT( 171 )\n & + 0.370 * RXRAT( 186 )\n & + 0.204 * RXRAT( 190 )\n & + 0.103 * RXRAT( 194 )\n & + 0.121 * RXRAT( 198 )\n & + 0.185 * RXRAT( 205 )\n & + 0.073 * RXRAT( 209 )\n LOSS( NCELL, HCOOH ) = RXRAT( 212 )\n\n PROD( NCELL, RCHO ) = 0.370 * RXRAT( 138 )\n & + RXRAT( 143 )\n & + RXRAT( 144 )\n & + RXRAT( 164 )\n & + 0.675 * RXRAT( 166 )\n & + 0.450 * RXRAT( 168 )\n & + 0.013 * RXRAT( 170 )\n & + 0.218 * RXRAT( 172 )\n & + 0.558 * RXRAT( 174 )\n & + 0.710 * RXRAT( 175 )\n & + 0.213 * RXRAT( 176 )\n & + 0.147 * RXRAT( 177 )\n & + RXRAT( 178 )\n & + RXRAT( 180 )\n & + RXRAT( 182 )\n & + RXRAT( 187 )\n & + 0.474 * RXRAT( 193 )\n & + 0.205 * RXRAT( 194 )\n & + 0.474 * RXRAT( 195 )\n & + 0.147 * RXRAT( 196 )\n & + 0.155 * RXRAT( 198 )\n & + 0.122 * RXRAT( 199 )\n & + 0.244 * RXRAT( 200 )\n & + 0.204 * RXRAT( 201 )\n & + 0.497 * RXRAT( 204 )\n & + 0.363 * RXRAT( 205 )\n & + 0.037 * RXRAT( 206 )\n & + 0.450 * RXRAT( 207 )\n & + 0.511 * RXRAT( 208 )\n & + 0.305 * RXRAT( 209 )\n & + 0.151 * RXRAT( 210 )\n & + 0.069 * RXRAT( 211 )\n & + 0.210 * RXRAT( 214 )\n LOSS( NCELL, RCHO ) = RXRAT( 133 )\n & + RXRAT( 134 )\n & + RXRAT( 135 )\n\n PROD( NCELL, GLY ) = 0.230 * RXRAT( 153 )\n & + 0.150 * RXRAT( 170 )\n & + 0.023 * RXRAT( 171 )\n & + RXRAT( 179 )\n & + 0.500 * RXRAT( 181 )\n & + 0.500 * RXRAT( 183 )\n & + 0.009 * RXRAT( 188 )\n & + 0.001 * RXRAT( 194 )\n & + 0.248 * RXRAT( 198 )\n & + 0.118 * RXRAT( 202 )\n & + 0.097 * RXRAT( 203 )\n LOSS( NCELL, GLY ) = RXRAT( 145 )\n & + RXRAT( 146 )\n & + RXRAT( 147 )\n & + RXRAT( 148 )\n\n PROD( NCELL, MGLY ) = 0.230 * RXRAT( 155 )\n & + 0.084 * RXRAT( 161 )\n & + 0.900 * RXRAT( 162 )\n & + 0.300 * RXRAT( 166 )\n & + 0.950 * RXRAT( 167 )\n & + 0.174 * RXRAT( 170 )\n & + 0.742 * RXRAT( 171 )\n & + 0.008 * RXRAT( 172 )\n & + 0.500 * RXRAT( 181 )\n & + 0.500 * RXRAT( 183 )\n & + 0.119 * RXRAT( 202 )\n & + 0.287 * RXRAT( 203 )\n & + 0.130 * RXRAT( 213 )\n LOSS( NCELL, MGLY ) = RXRAT( 149 )\n & + RXRAT( 150 )\n & + RXRAT( 151 )\n\n PROD( NCELL, BACL ) = 0.031 * RXRAT( 194 )\n & + 0.087 * RXRAT( 203 )\n & + 0.185 * RXRAT( 214 )\n LOSS( NCELL, BACL ) = RXRAT( 152 )\n\n PROD( NCELL, CRES ) = 0.207 * RXRAT( 202 )\n & + 0.187 * RXRAT( 203 )\n LOSS( NCELL, CRES ) = RXRAT( 155 )\n & + RXRAT( 156 )\n\n PROD( NCELL, BALD ) = 0.059 * RXRAT( 202 )\n & + 0.050 * RXRAT( 203 )\n & + 0.061 * RXRAT( 208 )\n & + 0.042 * RXRAT( 209 )\n & + 0.015 * RXRAT( 210 )\n LOSS( NCELL, BALD ) = RXRAT( 158 )\n & + RXRAT( 159 )\n & + RXRAT( 160 )\n\n PROD( NCELL, METHACRO ) = 0.230 * RXRAT( 189 )\n & + 0.390 * RXRAT( 190 )\n & + 0.025 * RXRAT( 208 )\n & + 0.026 * RXRAT( 209 )\n & + 0.012 * RXRAT( 211 )\n LOSS( NCELL, METHACRO ) = RXRAT( 161 )\n & + RXRAT( 162 )\n & + RXRAT( 163 )\n & + RXRAT( 164 )\n & + RXRAT( 165 )\n\n PROD( NCELL, MVK ) = 0.320 * RXRAT( 189 )\n & + 0.160 * RXRAT( 190 )\n & + 0.048 * RXRAT( 210 )\n LOSS( NCELL, MVK ) = RXRAT( 166 )\n & + RXRAT( 167 )\n & + RXRAT( 168 )\n & + RXRAT( 169 )\n\n PROD( NCELL, ISOPROD ) = 0.357 * RXRAT( 189 )\n & + 0.936 * RXRAT( 191 )\n & + 0.025 * RXRAT( 208 )\n LOSS( NCELL, ISOPROD ) = RXRAT( 170 )\n & + RXRAT( 171 )\n & + RXRAT( 172 )\n & + RXRAT( 173 )\n\n PROD( NCELL, DCB1 ) = 0.491 * RXRAT( 202 )\n & + 0.561 * RXRAT( 203 )\n LOSS( NCELL, DCB1 ) = RXRAT( 178 )\n & + RXRAT( 179 )\n\n PROD( NCELL, DCB2 ) = 0.108 * RXRAT( 202 )\n & + 0.099 * RXRAT( 203 )\n LOSS( NCELL, DCB2 ) = RXRAT( 180 )\n & + RXRAT( 181 )\n\n PROD( NCELL, DCB3 ) = 0.051 * RXRAT( 202 )\n & + 0.093 * RXRAT( 203 )\n LOSS( NCELL, DCB3 ) = RXRAT( 182 )\n & + RXRAT( 183 )\n\n PROD( NCELL, ETHENE ) = 0.0\n LOSS( NCELL, ETHENE ) = RXRAT( 185 )\n & + RXRAT( 186 )\n & + RXRAT( 187 )\n & + RXRAT( 188 )\n\n PROD( NCELL, ISOPRENE ) = 0.0\n LOSS( NCELL, ISOPRENE ) = RXRAT( 189 )\n & + RXRAT( 190 )\n & + RXRAT( 191 )\n & + RXRAT( 192 )\n\n PROD( NCELL, TRP1 ) = 0.0\n LOSS( NCELL, TRP1 ) = RXRAT( 193 )\n & + RXRAT( 194 )\n & + RXRAT( 195 )\n & + RXRAT( 196 )\n\n PROD( NCELL, ALK1 ) = 0.0\n LOSS( NCELL, ALK1 ) = RXRAT( 197 )\n\n PROD( NCELL, ALK2 ) = 0.0\n LOSS( NCELL, ALK2 ) = RXRAT( 198 )\n\n PROD( NCELL, ALK3 ) = 0.0\n LOSS( NCELL, ALK3 ) = RXRAT( 199 )\n\n PROD( NCELL, ALK4 ) = 0.0\n LOSS( NCELL, ALK4 ) = RXRAT( 200 )\n\n PROD( NCELL, ALK5 ) = 0.0\n LOSS( NCELL, ALK5 ) = RXRAT( 201 )\n\n PROD( NCELL, ARO1 ) = 0.0\n LOSS( NCELL, ARO1 ) = RXRAT( 202 )\n\n PROD( NCELL, ARO2 ) = 0.0\n LOSS( NCELL, ARO2 ) = RXRAT( 203 )\n\n PROD( NCELL, OLE1 ) = 0.0\n LOSS( NCELL, OLE1 ) = RXRAT( 204 )\n & + RXRAT( 205 )\n & + RXRAT( 206 )\n & + RXRAT( 207 )\n\n PROD( NCELL, OLE2 ) = 0.0\n LOSS( NCELL, OLE2 ) = RXRAT( 208 )\n & + RXRAT( 209 )\n & + RXRAT( 210 )\n & + RXRAT( 211 )\n\n\n IF( L_AE_VRSN ) THEN\n\n PROD( NCELL, SULAER ) = RXRAT( 44 )\n LOSS( NCELL, SULAER ) = 0.0\n\n PROD( NCELL, ALK5AER ) = RXRAT( 201 )\n LOSS( NCELL, ALK5AER ) = 0.0\n\n PROD( NCELL, OLE2AER ) = RXRAT( 208 )\n & + RXRAT( 209 )\n & + RXRAT( 210 )\n LOSS( NCELL, OLE2AER ) = 0.0\n \n PROD( NCELL, ARO1AER ) = RXRAT( 202 )\n LOSS( NCELL, ARO1AER ) = 0.0\n\n PROD( NCELL, ARO2AER ) = RXRAT( 203 )\n LOSS( NCELL, ARO2AER ) = 0.0\n\n PROD( NCELL, CRESAER ) = RXRAT( 155 )\n & + RXRAT( 156 )\n LOSS( NCELL, CRESAER ) = 0.0\n\n PROD( NCELL, TRP1AER ) = RXRAT( 193 )\n & + RXRAT( 194 )\n & + RXRAT( 195 )\n & + RXRAT( 196 )\n LOSS( NCELL, TRP1AER ) = 0.0\n\n END IF\n\n RETURN\n\n END\n\nS1\n" }, { "path": "UTIL/create_ebi/template_RXNSU_OPT/hrrates.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n SUBROUTINE HRRATES\n\nC***********************************************************************\nC\nC FUNCTION: To calculate rates of reactions \nC\nR1 PRECONDITIONS: For SAPRC99 family of mechanisms\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: None\nC\nR2 REVISION HISTORY: Prototype created by Jerry Gipson, September, 2003\nC\nC***********************************************************************\n USE HRDATA\n\n IMPLICIT NONE\n\nC.....INCLUDES: NONE\n\n\nC.....ARGUMENTS: NONE \n\n\nC.....PARAMETERS: NONE\n\n\nC.....EXTERNAL FUNCTIONS: NONE\n\n\nC.....SAVED VARIABLES: NONE\n! CHARACTER( 16 ), SAVE :: PNAME = 'HRRATES' ! Program name\n\n\nC.....LOCAL VARIABLES: None\n\nC***********************************************************************\nS1\n\nC..NOTE: RXRAT commented out are not referenced by any routine\n\nC..Photolytic reactions\n! RXRAT( 1 ) = RKI( 1 ) * YC( NO2 )\n RXRAT( 15 ) = RKI( 15 ) * YC( NO3 )\n RXRAT( 16 ) = RKI( 16 ) * YC( NO3 )\n RXRAT( 17 ) = RKI( 17 ) * YC( O3 )\n RXRAT( 18 ) = RKI( 18 ) * YC( O3 )\n RXRAT( 22 ) = RKI( 22 ) * YC( HONO )\n RXRAT( 23 ) = RKI( 23 ) * YC( HONO )\n RXRAT( 28 ) = RKI( 28 ) * YC( HNO3 )\n RXRAT( 34 ) = RKI( 34 ) * YC( HNO4 )\n RXRAT( 41 ) = RKI( 41 ) * YC( HO2H )\n RXRAT( 123 ) = RKI( 123 ) * YC( HCHO )\n RXRAT( 124 ) = RKI( 124 ) * YC( HCHO )\n RXRAT( 131 ) = RKI( 131 ) * YC( CCHO )\n RXRAT( 134 ) = RKI( 134 ) * YC( RCHO )\n RXRAT( 137 ) = RKI( 137 ) * YC( ACET )\n RXRAT( 139 ) = RKI( 139 ) * YC( MEK )\n RXRAT( 142 ) = RKI( 142 ) * YC( COOH )\n RXRAT( 144 ) = RKI( 144 ) * YC( ROOH )\n RXRAT( 145 ) = RKI( 145 ) * YC( GLY )\n RXRAT( 146 ) = RKI( 146 ) * YC( GLY )\n RXRAT( 149 ) = RKI( 149 ) * YC( MGLY )\n RXRAT( 152 ) = RKI( 152 ) * YC( BACL )\n RXRAT( 159 ) = RKI( 159 ) * YC( BALD )\n RXRAT( 165 ) = RKI( 165 ) * YC( METHACRO )\n RXRAT( 169 ) = RKI( 169 ) * YC( MVK )\n RXRAT( 173 ) = RKI( 173 ) * YC( ISOPROD )\n RXRAT( 175 ) = RKI( 175 ) * YC( PROD2 )\n RXRAT( 177 ) = RKI( 177 ) * YC( RNO3 )\n RXRAT( 181 ) = RKI( 181 ) * YC( DCB2 )\n RXRAT( 183 ) = RKI( 183 ) * YC( DCB3 )\n \n \nC..Thermal reactions\n! RXRAT( 2 ) = RKI( 2 ) * YC( O3P )\n! RXRAT( 3 ) = RKI( 3 ) * YC( O3P ) * YC( O3 )\n! RXRAT( 4 ) = RKI( 4 ) * YC( O3P ) * YC( NO )\n! RXRAT( 5 ) = RKI( 5 ) * YC( O3P ) * YC( NO2 )\n RXRAT( 6 ) = RKI( 6 ) * YC( O3P ) * YC( NO2 )\n! RXRAT( 7 ) = RKI( 7 ) * YC( O3 ) * YC( NO )\n RXRAT( 8 ) = RKI( 8 ) * YC( O3 ) * YC( NO2 )\n RXRAT( 9 ) = RKI( 9 ) * YC( NO ) * YC( NO3 )\n! RXRAT( 10 ) = RKI( 10 ) * YC( NO ) * YC( NO )\n! RXRAT( 11 ) = RKI( 11 ) * YC( NO2 ) * YC( NO3 )\n RXRAT( 12 ) = RKI( 12 ) * YC( N2O5 )\n RXRAT( 13 ) = RKI( 13 ) * YC( N2O5 )\n RXRAT( 14 ) = RKI( 14 ) * YC( NO2 ) * YC( NO3 )\n! RXRAT( 19 ) = RKI( 19 ) * YC( O1D2 )\n! RXRAT( 20 ) = RKI( 20 ) * YC( O1D2 )\n! RXRAT( 21 ) = RKI( 21 ) * YC( HO ) * YC( NO )\n RXRAT( 24 ) = RKI( 24 ) * YC( HO ) * YC( HONO )\n RXRAT( 25 ) = RKI( 25 ) * YC( HO ) * YC( NO2 )\n RXRAT( 26 ) = RKI( 26 ) * YC( HO ) * YC( NO3 )\n RXRAT( 27 ) = RKI( 27 ) * YC( HO ) * YC( HNO3 )\n RXRAT( 29 ) = RKI( 29 ) * YC( HO ) * YC( CO )\n! RXRAT( 30 ) = RKI( 30 ) * YC( HO ) * YC( O3 )\n! RXRAT( 31 ) = RKI( 31 ) * YC( HO2 ) * YC( NO )\n! RXRAT( 32 ) = RKI( 32 ) * YC( HO2 ) * YC( NO2 )\n RXRAT( 33 ) = RKI( 33 ) * YC( HNO4 )\n RXRAT( 35 ) = RKI( 35 ) * YC( HNO4 ) * YC( HO )\n! RXRAT( 36 ) = RKI( 36 ) * YC( HO2 ) * YC( O3 )\n RXRAT( 37 ) = RKI( 37 ) * YC( HO2 ) * YC( HO2 )\n RXRAT( 38 ) = RKI( 38 ) * YC( HO2 ) * YC( HO2 )\n RXRAT( 39 ) = RKI( 39 ) * YC( NO3 ) * YC( HO2 )\n RXRAT( 40 ) = RKI( 40 ) * YC( NO3 ) * YC( NO3 )\n RXRAT( 42 ) = RKI( 42 ) * YC( HO2H ) * YC( HO )\n! RXRAT( 43 ) = RKI( 43 ) * YC( HO ) * YC( HO2 )\n RXRAT( 44 ) = RKI( 44 ) * YC( HO ) * YC( SO2 )\n! RXRAT( 45 ) = RKI( 45 ) * YC( HO )\n RXRAT( 46 ) = RKI( 46 ) * YC( C_O2 ) * YC( NO )\n RXRAT( 47 ) = RKI( 47 ) * YC( C_O2 ) * YC( HO2 )\n RXRAT( 48 ) = RKI( 48 ) * YC( C_O2 ) * YC( NO3 )\n RXRAT( 49 ) = RKI( 49 ) * YC( C_O2 ) * YC( C_O2 )\n RXRAT( 50 ) = RKI( 50 ) * YC( C_O2 ) * YC( C_O2 )\n RXRAT( 51 ) = RKI( 51 ) * YC( RO2_R ) * YC( NO )\n RXRAT( 52 ) = RKI( 52 ) * YC( RO2_R ) * YC( HO2 )\n RXRAT( 53 ) = RKI( 53 ) * YC( RO2_R ) * YC( NO3 )\n RXRAT( 54 ) = RKI( 54 ) * YC( RO2_R ) * YC( C_O2 )\n RXRAT( 55 ) = RKI( 55 ) * YC( RO2_R ) * YC( RO2_R )\n RXRAT( 56 ) = RKI( 56 ) * YC( R2O2 ) * YC( NO )\n RXRAT( 57 ) = RKI( 57 ) * YC( R2O2 ) * YC( HO2 )\n RXRAT( 58 ) = RKI( 58 ) * YC( R2O2 ) * YC( NO3 )\n RXRAT( 59 ) = RKI( 59 ) * YC( R2O2 ) * YC( C_O2 )\n RXRAT( 60 ) = RKI( 60 ) * YC( R2O2 ) * YC( RO2_R )\n RXRAT( 61 ) = RKI( 61 ) * YC( R2O2 ) * YC( R2O2 )\n RXRAT( 62 ) = RKI( 62 ) * YC( RO2_N ) * YC( NO )\n RXRAT( 63 ) = RKI( 63 ) * YC( RO2_N ) * YC( HO2 )\n RXRAT( 64 ) = RKI( 64 ) * YC( RO2_N ) * YC( C_O2 )\n RXRAT( 65 ) = RKI( 65 ) * YC( RO2_N ) * YC( NO3 )\n RXRAT( 66 ) = RKI( 66 ) * YC( RO2_N ) * YC( RO2_R )\n RXRAT( 67 ) = RKI( 67 ) * YC( RO2_N ) * YC( R2O2 )\n RXRAT( 68 ) = RKI( 68 ) * YC( RO2_N ) * YC( RO2_N )\n! RXRAT( 69 ) = RKI( 69 ) * YC( CCO_O2 ) * YC( NO2 )\n RXRAT( 70 ) = RKI( 70 ) * YC( PAN )\n RXRAT( 71 ) = RKI( 71 ) * YC( CCO_O2 ) * YC( NO )\n RXRAT( 72 ) = RKI( 72 ) * YC( CCO_O2 ) * YC( HO2 )\n RXRAT( 73 ) = RKI( 73 ) * YC( CCO_O2 ) * YC( NO3 )\n RXRAT( 74 ) = RKI( 74 ) * YC( CCO_O2 ) * YC( C_O2 )\n RXRAT( 75 ) = RKI( 75 ) * YC( CCO_O2 ) * YC( RO2_R )\n RXRAT( 76 ) = RKI( 76 ) * YC( CCO_O2 ) * YC( R2O2 )\n RXRAT( 77 ) = RKI( 77 ) * YC( CCO_O2 ) * YC( RO2_N )\n RXRAT( 78 ) = RKI( 78 ) * YC( CCO_O2 ) * YC( CCO_O2 )\n RXRAT( 79 ) = RKI( 79 ) * YC( RCO_O2 ) * YC( NO2 )\n RXRAT( 80 ) = RKI( 80 ) * YC( PAN2 )\n RXRAT( 81 ) = RKI( 81 ) * YC( RCO_O2 ) * YC( NO )\n RXRAT( 82 ) = RKI( 82 ) * YC( RCO_O2 ) * YC( HO2 )\n RXRAT( 83 ) = RKI( 83 ) * YC( RCO_O2 ) * YC( NO3 )\n RXRAT( 84 ) = RKI( 84 ) * YC( RCO_O2 ) * YC( C_O2 )\n RXRAT( 85 ) = RKI( 85 ) * YC( RCO_O2 ) * YC( RO2_R )\n RXRAT( 86 ) = RKI( 86 ) * YC( RCO_O2 ) * YC( R2O2 )\n RXRAT( 87 ) = RKI( 87 ) * YC( RCO_O2 ) * YC( RO2_N )\n RXRAT( 88 ) = RKI( 88 ) * YC( RCO_O2 ) * YC( CCO_O2 )\n RXRAT( 89 ) = RKI( 89 ) * YC( RCO_O2 ) * YC( RCO_O2 )\n RXRAT( 90 ) = RKI( 90 ) * YC( BZCO_O2 ) * YC( NO2 )\n RXRAT( 91 ) = RKI( 91 ) * YC( PBZN )\n RXRAT( 92 ) = RKI( 92 ) * YC( BZCO_O2 ) * YC( NO )\n RXRAT( 93 ) = RKI( 93 ) * YC( BZCO_O2 ) * YC( HO2 )\n RXRAT( 94 ) = RKI( 94 ) * YC( BZCO_O2 ) * YC( NO3 )\n RXRAT( 95 ) = RKI( 95 ) * YC( BZCO_O2 ) * YC( C_O2 )\n RXRAT( 96 ) = RKI( 96 ) * YC( BZCO_O2 ) * YC( RO2_R )\n RXRAT( 97 ) = RKI( 97 ) * YC( BZCO_O2 ) * YC( R2O2 )\n RXRAT( 98 ) = RKI( 98 ) * YC( BZCO_O2 ) * YC( RO2_N )\n RXRAT( 99 ) = RKI( 99 ) * YC( BZCO_O2 ) * YC( CCO_O2 )\n RXRAT( 100 ) = RKI( 100 ) * YC( BZCO_O2 ) * YC( RCO_O2 )\n RXRAT( 101 ) = RKI( 101 ) * YC( BZCO_O2 ) * YC( BZCO_O2 )\n RXRAT( 102 ) = RKI( 102 ) * YC( MA_RCO3 ) * YC( NO2 )\n RXRAT( 103 ) = RKI( 103 ) * YC( MA_PAN )\n RXRAT( 104 ) = RKI( 104 ) * YC( MA_RCO3 ) * YC( NO )\n RXRAT( 105 ) = RKI( 105 ) * YC( MA_RCO3 ) * YC( HO2 )\n RXRAT( 106 ) = RKI( 106 ) * YC( MA_RCO3 ) * YC( NO3 )\n RXRAT( 107 ) = RKI( 107 ) * YC( MA_RCO3 ) * YC( C_O2 )\n RXRAT( 108 ) = RKI( 108 ) * YC( MA_RCO3 ) * YC( RO2_R )\n RXRAT( 109 ) = RKI( 109 ) * YC( MA_RCO3 ) * YC( R2O2 )\n RXRAT( 110 ) = RKI( 110 ) * YC( MA_RCO3 ) * YC( RO2_N )\n RXRAT( 111 ) = RKI( 111 ) * YC( MA_RCO3 ) * YC( CCO_O2 )\n RXRAT( 112 ) = RKI( 112 ) * YC( MA_RCO3 ) * YC( RCO_O2 )\n RXRAT( 113 ) = RKI( 113 ) * YC( MA_RCO3 ) * YC( BZCO_O2 )\n RXRAT( 114 ) = RKI( 114 ) * YC( MA_RCO3 ) * YC( MA_RCO3 )\n RXRAT( 115 ) = RKI( 115 ) * YC( TBU_O ) * YC( NO2 )\n RXRAT( 116 ) = RKI( 116 ) * YC( TBU_O )\n RXRAT( 117 ) = RKI( 117 ) * YC( BZ_O ) * YC( NO2 )\n RXRAT( 118 ) = RKI( 118 ) * YC( BZ_O ) * YC( HO2 )\n RXRAT( 119 ) = RKI( 119 ) * YC( BZ_O )\n RXRAT( 120 ) = RKI( 120 ) * YC( BZNO2_O ) * YC( NO2 )\n RXRAT( 121 ) = RKI( 121 ) * YC( BZNO2_O ) * YC( HO2 )\n RXRAT( 122 ) = RKI( 122 ) * YC( BZNO2_O )\n RXRAT( 125 ) = RKI( 125 ) * YC( HCHO ) * YC( HO )\n RXRAT( 126 ) = RKI( 126 ) * YC( HCHO ) * YC( HO2 )\n RXRAT( 127 ) = RKI( 127 ) * YC( HOCOO )\n RXRAT( 128 ) = RKI( 128 ) * YC( HOCOO ) * YC( NO )\n RXRAT( 129 ) = RKI( 129 ) * YC( HCHO ) * YC( NO3 )\n RXRAT( 130 ) = RKI( 130 ) * YC( CCHO ) * YC( HO )\n RXRAT( 132 ) = RKI( 132 ) * YC( CCHO ) * YC( NO3 )\n RXRAT( 133 ) = RKI( 133 ) * YC( RCHO ) * YC( HO )\n RXRAT( 135 ) = RKI( 135 ) * YC( RCHO ) * YC( NO3 )\n RXRAT( 136 ) = RKI( 136 ) * YC( ACET ) * YC( HO )\n RXRAT( 138 ) = RKI( 138 ) * YC( MEK ) * YC( HO )\n RXRAT( 140 ) = RKI( 140 ) * YC( MEOH ) * YC( HO )\n RXRAT( 141 ) = RKI( 141 ) * YC( COOH ) * YC( HO )\n RXRAT( 143 ) = RKI( 143 ) * YC( ROOH ) * YC( HO )\n RXRAT( 147 ) = RKI( 147 ) * YC( GLY ) * YC( HO )\n RXRAT( 148 ) = RKI( 148 ) * YC( GLY ) * YC( NO3 )\n RXRAT( 150 ) = RKI( 150 ) * YC( MGLY ) * YC( HO )\n RXRAT( 151 ) = RKI( 151 ) * YC( MGLY ) * YC( NO3 )\n RXRAT( 153 ) = RKI( 153 ) * YC( PHEN ) * YC( HO )\n RXRAT( 154 ) = RKI( 154 ) * YC( PHEN ) * YC( NO3 )\n RXRAT( 155 ) = RKI( 155 ) * YC( CRES ) * YC( HO )\n RXRAT( 156 ) = RKI( 156 ) * YC( CRES ) * YC( NO3 )\n RXRAT( 157 ) = RKI( 157 ) * YC( NPHE ) * YC( NO3 )\n RXRAT( 158 ) = RKI( 158 ) * YC( BALD ) * YC( HO )\n RXRAT( 160 ) = RKI( 160 ) * YC( BALD ) * YC( NO3 )\n RXRAT( 161 ) = RKI( 161 ) * YC( METHACRO ) * YC( HO )\n RXRAT( 162 ) = RKI( 162 ) * YC( METHACRO ) * YC( O3 )\n RXRAT( 163 ) = RKI( 163 ) * YC( METHACRO ) * YC( NO3 )\n RXRAT( 164 ) = RKI( 164 ) * YC( METHACRO ) * YC( O3P )\n RXRAT( 166 ) = RKI( 166 ) * YC( MVK ) * YC( HO )\n RXRAT( 167 ) = RKI( 167 ) * YC( MVK ) * YC( O3 )\n RXRAT( 168 ) = RKI( 168 ) * YC( MVK ) * YC( O3P )\n RXRAT( 170 ) = RKI( 170 ) * YC( ISOPROD ) * YC( HO )\n RXRAT( 171 ) = RKI( 171 ) * YC( ISOPROD ) * YC( O3 )\n RXRAT( 172 ) = RKI( 172 ) * YC( ISOPROD ) * YC( NO3 )\n RXRAT( 174 ) = RKI( 174 ) * YC( PROD2 ) * YC( HO )\n RXRAT( 176 ) = RKI( 176 ) * YC( RNO3 ) * YC( HO )\n RXRAT( 178 ) = RKI( 178 ) * YC( DCB1 ) * YC( HO )\n RXRAT( 179 ) = RKI( 179 ) * YC( DCB1 ) * YC( O3 )\n RXRAT( 180 ) = RKI( 180 ) * YC( DCB2 ) * YC( HO )\n RXRAT( 182 ) = RKI( 182 ) * YC( DCB3 ) * YC( HO )\n RXRAT( 184 ) = RKI( 184 ) * YC( HO )\n RXRAT( 185 ) = RKI( 185 ) * YC( ETHENE ) * YC( HO )\n RXRAT( 186 ) = RKI( 186 ) * YC( ETHENE ) * YC( O3 )\n RXRAT( 187 ) = RKI( 187 ) * YC( ETHENE ) * YC( NO3 )\n RXRAT( 188 ) = RKI( 188 ) * YC( ETHENE ) * YC( O3P )\n RXRAT( 189 ) = RKI( 189 ) * YC( ISOPRENE ) * YC( HO )\n RXRAT( 190 ) = RKI( 190 ) * YC( ISOPRENE ) * YC( O3 )\n RXRAT( 191 ) = RKI( 191 ) * YC( ISOPRENE ) * YC( NO3 )\n RXRAT( 192 ) = RKI( 192 ) * YC( ISOPRENE ) * YC( O3P )\n RXRAT( 193 ) = RKI( 193 ) * YC( TRP1 ) * YC( HO )\n RXRAT( 194 ) = RKI( 194 ) * YC( TRP1 ) * YC( O3 )\n RXRAT( 195 ) = RKI( 195 ) * YC( TRP1 ) * YC( NO3 )\n RXRAT( 196 ) = RKI( 196 ) * YC( TRP1 ) * YC( O3P )\n RXRAT( 197 ) = RKI( 197 ) * YC( ALK1 ) * YC( HO )\n RXRAT( 198 ) = RKI( 198 ) * YC( ALK2 ) * YC( HO )\n RXRAT( 199 ) = RKI( 199 ) * YC( ALK3 ) * YC( HO )\n RXRAT( 200 ) = RKI( 200 ) * YC( ALK4 ) * YC( HO )\n RXRAT( 201 ) = RKI( 201 ) * YC( ALK5 ) * YC( HO )\n RXRAT( 202 ) = RKI( 202 ) * YC( ARO1 ) * YC( HO )\n RXRAT( 203 ) = RKI( 203 ) * YC( ARO2 ) * YC( HO )\n RXRAT( 204 ) = RKI( 204 ) * YC( OLE1 ) * YC( HO )\n RXRAT( 205 ) = RKI( 205 ) * YC( OLE1 ) * YC( O3 )\n RXRAT( 206 ) = RKI( 206 ) * YC( OLE1 ) * YC( NO3 )\n RXRAT( 207 ) = RKI( 207 ) * YC( OLE1 ) * YC( O3P )\n RXRAT( 208 ) = RKI( 208 ) * YC( OLE2 ) * YC( HO )\n RXRAT( 209 ) = RKI( 209 ) * YC( OLE2 ) * YC( O3 )\n RXRAT( 210 ) = RKI( 210 ) * YC( OLE2 ) * YC( NO3 )\n RXRAT( 211 ) = RKI( 211 ) * YC( OLE2 ) * YC( O3P )\n RXRAT( 212 ) = RKI( 212 ) * YC( HCOOH ) * YC( HO )\n RXRAT( 213 ) = RKI( 213 ) * YC( CCO_OH ) * YC( HO )\n RXRAT( 214 ) = RKI( 214 ) * YC( RCO_OH ) * YC( HO )\n\n\n RETURN\n\n END\n\nS1\n" }, { "path": "UTIL/create_ebi/template_RXNSU_OPT/hrsolver.F", "content": "\n!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\n SUBROUTINE HRSOLVER( JDATE, JTIME, C, R, L )\n\n\nC**********************************************************************\nC\nC FUNCTION: EBI solver\nC\nR1 PRECONDITIONS: For SAPRC99 family of mechanisms only\nC\nC KEY SUBROUTINES/FUNCTIONS CALLED: HRRATES, HRG1, HRG2, HRG3\nC HRG4, HRPRODLOSS\nR5C DEGRADE\nC\nR2 REVISION HISTORY: Prototype created by Jerry Gipson, September, 2003\nC 21 Jun 10 J.Young: convert for Namelist redesign\nC 18 Jul 14 B.Hutzell: revised 1) to use the RXNS_DATA and RXNS_FUNCTION\nC modules instead of include files and 2) to use\nC real(8) variables\nC**********************************************************************\n\n USE RUNTIME_VARS\n USE UTILIO_DEFN\n USE RXNS_DATA\n USE HRDATA\n USE PA_IRR_MODULE\n#ifdef isam\n USE SA_IRR_DEFN\n#endif\n#ifdef sens\n USE DDM3D_CHEM, ONLY: YCDDM\n USE CGRID_SPCS, ONLY: GC_SPC\n#endif \nR5 USE DEGRADE_ROUTINES, ONLY : DEGRADE, SA_DEGRADE_STEP\n\nR0\n\n IMPLICIT NONE\n\nC..INCLUDES:\n\n\nC..ARGUMENTS:\n INTEGER, INTENT( IN ) :: JDATE ! Current date (YYYYDDD)\n INTEGER, INTENT( IN ) :: JTIME ! Current time (HHMMSS)\n INTEGER, INTENT( IN ) :: C, R, L ! Cell col, row, lev\n\nC..PARAMETERS:\n INTEGER, PARAMETER :: MXBKUPS = 5 ! Max no. of back-ups allowed\n INTEGER, PARAMETER :: STAT = 1 ! Status code\n\n REAL( 8 ), PARAMETER :: DTMIN = 1.0D-08 ! Smallest time step allowed, min\n REAL( 8 ), PARAMETER :: EPSLON = 1.0D-30 ! Small number\n REAL( 8 ), PARAMETER :: MAXPRED = 1.0D+03 ! Upper limit on predicted conc\n REAL( 8 ), PARAMETER :: ZERO = 1.0D-40 ! effective zero\n REAL( 8 ), PARAMETER :: FLOOR = 1.0D-08 ! Min conc for RTOL \n\nC..EXTERNAL FUNCTIONS:\n\n\nC..SAVED LOCAL VARIABLES:\n CHARACTER( 16 ), SAVE :: PNAME = 'HRSOLVER' ! Program name\n LOGICAL, SAVE :: LFIRST = .TRUE. ! Flag for first call\n LOGICAL, ALLOCATABLE, SAVE :: LEBISPFL( : ) ! Convergence Error Flag for EBI species\n LOGICAL, ALLOCATABLE, SAVE :: MAXCONC ( : ) ! MAXCONC ERROR Flag for EBI species\n LOGICAL, ALLOCATABLE, SAVE :: NOTMAX ( : ) ! Initial concentration not greater than MAXPRED\n\n REAL( 8 ), ALLOCATABLE, SAVE :: RERROR ( : ) ! Relative Error\n REAL( 8 ), ALLOCATABLE, SAVE :: AERROR ( : ) ! Absolute Error\n\n\nC..SCRATCH LOCAL VARIABLES:\n\n CHARACTER( 132 ) :: MSG ! Message text\n\n INTEGER CELLNO ! Cell no. fo debug output\n INTEGER ITER ! Loop index for Backward Euler iterations\n INTEGER S ! Loop index for species\n INTEGER SP ! Imbedded loop index for species\n INTEGER NEBI ! Loop index for time steps\n INTEGER NINR ! No. of inner time steps\n#ifdef hrdebug\n INTEGER N ! Loop index\n#endif\nR5 INTEGER M ! species index\n INTEGER EBI ! Loop index\n INTEGER NBKUPS ! No. of times time step reduced\n INTEGER ERR ! Allocate error flag\n\n\n LOGICAL LEBI_CONV ! Flag for EBI convergence\n LOGICAL MXFL ! hit MAXPRED flag\n\n REAL( 8 ) DTC ! Time step to take\nR5 REAL( 8 ) DTG ! Time step in degrade routines, sec\n REAL( 8 ) FXDLOSS ! Total loss due to negative stoichiometry\n REAL( 8 ) VARLOSS ! Loss excluding negative stoichiometry\n\n\n#ifdef hrdebug\n CHARACTER( 8 ) :: NOTE ! Convergence fail note\n\n INTEGER COL ! Column to generate deboug output for\n INTEGER ROW ! Row to generate deboug output for\n INTEGER LEV ! Level to generate deboug output for\n INTEGER DBGOUT ! Output unit for debu outpt\n\n LOGICAL LDEBUG ! Debug output flag\n LOGICAL, SAVE :: LOPEN = .FALSE.\n#endif\n\n\nC**********************************************************************\n\n\n IF( LFIRST ) THEN\n LFIRST = .FALSE.\n\n ALLOCATE ( LEBISPFL( NUMB_MECH_SPC ), STAT = ERR )\n IF ( ERR .NE. 0 ) THEN\n MSG = 'Error allocating LEBISPFL'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n END IF\n\n ALLOCATE ( MAXCONC( NUMB_MECH_SPC ), STAT = ERR )\n IF ( ERR .NE. 0 ) THEN\n MSG = 'Error allocating MAXCONC'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n END IF\n\n ALLOCATE ( NOTMAX( NUMB_MECH_SPC ), STAT = ERR )\n IF ( ERR .NE. 0 ) THEN\n MSG = 'Error allocating NOTMAX'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n END IF\n\n ALLOCATE ( RERROR( NUMB_MECH_SPC ), STAT = ERR )\n IF ( ERR .NE. 0 ) THEN\n MSG = 'Error allocating ERROR'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n END IF\n\n ALLOCATE ( AERROR( NUMB_MECH_SPC ), STAT = ERR )\n IF ( ERR .NE. 0 ) THEN\n MSG = 'Error allocating AERROR'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT1 )\n END IF\n\n END IF\n\n#ifdef sens\n YCDDM = 0.0D0\n#endif\n\nc++++++++++++++++++++++++Debug section++++++++++++++++++++++++++++++++++\n#ifdef hrdebug\n COL = 0\n ROW = 0\n LEV = 0\n IF( C .EQ. COL .AND. R .EQ. ROW .AND. L .EQ. LEV ) THEN\nc IF( JTIME .EQ. 160000 ) THEN\n LDEBUG = .TRUE.\n ELSE\n LDEBUG = .FALSE.\n END IF\n\n IF( LDEBUG ) THEN\n IF( .NOT. LOPEN ) THEN\n DBGOUT = JUNIT()\n OPEN( UNIT = DBGOUT, FILE = 'debug.out' )\n LOPEN = .TRUE.\n END IF\n\n WRITE( DBGOUT, '( A, 2I4, I3, 1X, I7, 1X, I6 ) ' )\n & 'Debug output for col/row/lev/date/time:',\n & C, R, L, JDATE, JTIME\n WRITE( DBGOUT, '( A, F7.2) ' )\n & 'EBI_TMSTEP = ', EBI_TMSTEP\n WRITE( DBGOUT, '( A )' ) 'Starting concs and rate constants'\n DO N = 1, NUMB_MECH_SPC\n WRITE( DBGOUT, '( A, I3, 1X, A, 1X, 1PD13.5 )' )\n & 'SP ',N, CHEMISTRY_SPC( N ), YC( N )\n END DO\n DO N = 1, N_RXNS\n WRITE( DBGOUT, '( A, I3, 1X, 1PD13.5 )' )\n & 'RKI ', N, RKI( N )\n END DO\n END IF\n#endif\nc++++++++++++++++++++++++Debug section++++++++++++++++++++++++++++++++++\n\n\n\n DTC = EBI_TMSTEP\n\n N_EBI_IT = 0\n NBKUPS = 0\n N_INR_STEPS = 1\n NEBI = 1\n LEBI_CONV = .TRUE.\n#ifdef isam\n UPDATE_SOLD = .FALSE.\n UPDATE_PROBABILITIES = .TRUE.\n CALL SA_IRR_UNBLOCKED ( .TRUE., RKI, YC, DTC )\n#endif\n\n\n DO S = 1, NUMB_MECH_SPC\n IF( YC( S ) .LE. MAXPRED )THEN\n NOTMAX( S ) = .TRUE.\n ELSE\n NOTMAX( S ) = .FALSE.\n WRITE(LOGDEV,91000)C, R, L, CHEMISTRY_SPC(S), YC(S)\n END IF\n END DO\n\n! Initial PA_IRR \n IF( CALL_IRR ) CALL PA_IRR ( .TRUE., RKI, YC, DTC )\nR5 SA_DEGRADE_STEP = 0 \n TSTEP_EBI: DO ! EBI time-step loop\n \n SUBSTEP_EBI: DO NINR = 1, N_INR_STEPS ! time substeps loop \n! first attempt is sub time-step equals EBI time-step\n\n IF( LEBI_CONV ) YC0 = YC ! Set ICs for EBI iterations\n\n ITER_SUBSTEP: DO ITER = 1, NEBITER ! iteration loop solving for sub time-step\n\n\n N_EBI_IT = N_EBI_IT + 1\nR3\n CALL HRRATES\n\nc++++++++++++++++++++++++Debug section++++++++++++++++++++++++++++++++++\n#ifdef hrdebug\n IF( LDEBUG ) THEN\n WRITE( DBGOUT, '( A, I5 )' ) 'ITER NO ', ITER\n WRITE( DBGOUT, '( A, F12.5 )' )\n & ' DTC=', DTC\n\n IF( ITER .EQ. 1 ) THEN\n WRITE( DBGOUT, '( A )' ) 'Starting reaction rates'\n DO N = 1, N_RXNS\n WRITE( DBGOUT, '( A, I3, 1X, 1PD13.5 )' )\n & 'RXRAT ', N, RXRAT( NCELL, N )\n END DO\n END IF\n END IF\n#endif\nc++++++++++++++++++++++++Debug section++++++++++++++++++++++++++++++++++\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Call routines to compute concentrations of groups 1-4\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n\n CALL HRG1( DTC )\n\n CALL HRG2( DTC )\n\n CALL HRG3( DTC )\n\n CALL HRG4( DTC )\n\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Do the Euler backward method\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n CALL HRPRODLOSS\n\n DO EBI = 1, N_EBISP\n S = EBISP( EBI )\n YCP( S ) = YC( S )*( ( YC0( S ) + PROD( S ) * DTC )\n & / ( YC( S ) + LOSS( S ) * DTC ) )\n END DO\n\nR4\n\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\nc Check for convergence\ncccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc\n LEBI_CONV = .TRUE.\n MXFL = .FALSE.\n \n DO S = 1, NUMB_MECH_SPC\n LEBISPFL( S ) = .FALSE.\n YCP( S ) = MAX( ZERO, YCP( S ) )\n AERROR( S ) = MAX( ABS( YC(S)-YCP(S) ), EPSLON )\n RERROR( S ) = AERROR( S ) / MAX( FLOOR, ABS( YC(S)+YCP(S) ) )\n IF( RERROR( S ) .GT. RTOL(S) .OR. AERROR( S ) .GT. 1.0D-5 )THEN\n LEBI_CONV = .FALSE.\n LEBISPFL( S ) = .TRUE.\n END IF\nc..test if predictions growing too large\n IF( YCP( S ) .GT. MAXPRED .AND. NOTMAX( S ) ) THEN\n MXFL = .TRUE.\n LEBI_CONV = .FALSE.\n LEBISPFL( S ) = .TRUE.\n END IF \n YC( S ) = YCP( S )\n END DO\nc..test if predictions growing too large, abort interation loop\n IF( MXFL ) EXIT ITER_SUBSTEP\n\nc++++++++++++++++++++++++Debug section++++++++++++++++++++++++++++++++++\n#ifdef hrdebug\n IF( LDEBUG ) THEN\n WRITE( DBGOUT, '( A, I5 )' ) 'Concs after ITER= ', ITER\n DO S = 1, NUMB_MECH_SPC\n\n IF( LEBISPFL( S ) ) THEN\n NOTE = 'CONV FAIL'\n ELSE\n NOTE = ' '\n END IF\n\n WRITE( DBGOUT, '( I3, 1X, A, 1PD13.5, 1X, A )' )\n & S, CHEMISTRY_SPC( S ), YC( S ), NOTE\n END DO\n IF( LEBI_CONV ) WRITE( DBGOUT, '( A )' )\n & '****Convergence achieved'\n END IF\n#endif\nc++++++++++++++++++++++++Debug section++++++++++++++++++++++++++++++++++\n\n IF( LEBI_CONV ) THEN \n\nR5 DTG = 60.0D0 * DTC\nR5 DO S = 1, NUMB_MECH_SPC\nR5 M = CGRID_INDEX( S )\nR5 YCCELL( M ) = YC( S )\nR5 END DO\n#if defined(isam) || defined(verbose_isam)\nR5 SA_DEGRADE_STEP = SA_DEGRADE_STEP + 1\n#endif \nR5 IF( CALL_DEG )CALL DEGRADE(YCCELL, DTG, JDATE, JTIME) ! :WTH Call degradation routine\nR5\n IF( CALL_IRR ) CALL PA_IRR ( .FALSE., RKI, YC, DTC )\n#ifdef isam\n IF( NEBI .EQ. N_EBI_STEPS )UPDATE_SOLD = .TRUE.\n CALL SA_IRR_UNBLOCKED ( .FALSE., RKI, YC, DTC )\n UPDATE_PROBABILITIES = .FALSE.\n#endif\n\n#ifdef sens\nC Update the sum for the average over the chemistry integration\n YCDDM = YCDDM\n & + ( ( 0.5D0 * DTC ) * ( YC + YC0 ) )\n#endif\n\n CYCLE SUBSTEP_EBI ! solve for next sub time-step\n \n END IF\n\n END DO ITER_SUBSTEP\n! interating for substep failed, attempt to increase number of sub time-steps\n NBKUPS = NBKUPS + 1\n\n! IF( NBKUPS .LE. MXBKUPS ) THEN\n IF ( DTC .GT. DTMIN ) THEN\n! reset YC and cut sub time-step in half \n IF ( MXFL ) THEN\n WRITE( LOGDEV, 92008 ) NBKUPS\n WRITE( LOGDEV, 92009 ) C+PECOL_OFFSET, R+PEROW_OFFSET, L\n DO S = 1, NUMB_MECH_SPC\n IF( LEBISPFL( S ) )WRITE( LOGDEV, 92010 )TRIM( CHEMISTRY_SPC( S ) ),\n & YC0(S), YCP(S)\n END DO\n ELSE\n WRITE( LOGDEV, 92000 ) C+PECOL_OFFSET, R+PEROW_OFFSET, L, NBKUPS\n DO S = 1, NUMB_MECH_SPC\n IF( LEBISPFL( S ) )WRITE( LOGDEV, 92010 )TRIM( CHEMISTRY_SPC( S ) ),\n & YC0(S), YCP(S)\n END DO\n END IF\n\n YC = YC0 ! Set ICs for EBI time-step\n\n DTC = 0.5D0 * DTC\n\n N_INR_STEPS = 2 ** NBKUPS\n \n EXIT SUBSTEP_EBI\n\n ELSE\n \n WRITE( LOGDEV, 92040 ) C+PECOL_OFFSET, R+PEROW_OFFSET, L\n\n WRITE( LOGDEV, 92060 )\n DO S = 1, NUMB_MECH_SPC\n IF( LEBISPFL( S ) ) WRITE( LOGDEV, 92080 ) CHEMISTRY_SPC( S ),\n & YC0(S), YCP(S)\n END DO\n\n MSG = 'ERROR: Stopping because of EBI convergence failures'\n CALL M3EXIT( PNAME, JDATE, JTIME, MSG, XSTAT2 )\n\n END IF\n\n END DO SUBSTEP_EBI\n\n IF( LEBI_CONV )THEN \n NEBI = 1 + NEBI\n! test for completing final EBI time-step\n IF( NEBI .GT. N_EBI_STEPS )EXIT TSTEP_EBI\n! test whether backups were done\n IF( NBKUPS .EQ. 0 )CYCLE TSTEP_EBI \n! Reset NBKUPS, N_INR_STEPS and sub-time step\n NBKUPS = 0\n N_INR_STEPS = 1\n DTC = EBI_TMSTEP\n END IF\n \n END DO TSTEP_EBI\n\n#ifdef sens\n! Compute average over integration and filter values\n YCDDM = YCDDM / CHEMSTEP\n WHERE ( YCDDM .LT. 1.0D-25 ) YCDDM = 0.0D0\n#endif\n\n\n RETURN\n\n\n91000 FORMAT( 'WARNING: EBI solver in cell (',2(I4,','),I4,') Init.Conc. for ', \n & A16, ' = ', ES12.4,' ppmV')\n\n92000 FORMAT( 'WARNING: EBI Euler convergence failure' /\n & ' Reducing EBI time step because of ',\n & ' convergence failure in ' /\n & ' Cell (', I3, ', ', I3, ', ', I3, ')' ,\n & ' Solution Attempt #', I2 /\n & ' Below Species Causing Error: Init.Conc, Pred.Conc.' )\n\n92008 FORMAT( 'WARNING: At solution attempt #', I2 )\n92009 FORMAT( 'WARNING: EBI Euler convergence failure' /\n & ' Reducing EBI time step because of ',\n & ' MAXPRED failure in ' /\n & ' Cell (', I3, ', ', I3, ', ', I3, ')' ,\n & ' for the below species: : Init.Conc, Pred.Conc.')\n92010 FORMAT( A16, 2(1X,ES12.4), ' ppmV' )\n\n92040 FORMAT( 'ERROR: Max number of EBI time step reductions exceeded'\n & / ' Convergence failure for cell (', I3, ', ', I3,\n & ', ', I3, ')' )\n\n92060 FORMAT( ' Convergence failure for the following species:',\n & 'Init.Conc, Pred.Conc.' )\n\n92080 FORMAT( 10X, A, 2(1X,ES12.4), ' ppmV ' )\n\n92061 FORMAT( ' Convergence failure for the following species:',\n & 'Init.Conc, Pred.Conc.,Rel.Error,' )\n\n92081 FORMAT( 10X, A, 2(1X,ES12.4), ' ppmV ', ES12.4,'%' )\n\n END\n" }, { "path": "UTIL/inline_phot_preproc/README.md", "content": "# Inline photolysis preprocessor (inline_phot_preproc)\n\n## Background\n\nThe Inline photolysis preprocessor utility creates two input files used by the in-line method for calculating photolysis rates. The CSQY_DATA\\_*mechanism* file contains the \ncross-section and quantum yields for the photolysis rates used by the specified photochemical *mechanism*. The *mechanism* is determined the RXNS_DATA_MODULE.F90 from building and running the\n **chemmech** utility. The PHOT_OPTICS.dat file gives the optical properties for cloud water and ice plus the refractive indice for aerosol species. The file does not change between photochemical *mechanisms*.\nWhen using the files for CCTM executions, the number of wavebands defined in the CSQY_DATA\\_*mechanism* and PHOT_OPTICS.dat files need to be the same. \n\nThe utility's method is based on how FAST-JX version 6.8 processes cross-section and quantum yield data to a condensed waveband structure for calculating photolysis rates. The process has two steps that allocate the data over wavelength bins and average the data over the bins based on the solar spectrum. The below table lists the maximum number of wavelength bins. At the shortest wavelength, bins overlap because the O2 absorption cross-section and the solar flux are correlated in the Schumman-Runge bands. The utility includes an option that subsets the bins starting from longest to shortest wavelenghts.\n\n
Table 1. Wavelength Bins Intervals
\n\n|Bin| start(nm) | effective(nm) | stop(nm) | \n|:----:|:-------------------:|:--------------------:|:---------------------:| \n| 1| 177.500| 186.839| 202.500 | \n| 2| 177.500| 191.209| 202.500 | \n| 3| 202.500| 193.620| 206.500 | \n| 4| 206.500| 196.244| 209.500 | \n| 5| 209.500| 202.392| 212.500 | \n| 6| 212.500| 208.183| 215.500 | \n| 7| 215.500| 211.125| 221.500 | \n| 8| 221.500| 213.817| 233.000 | \n| 9| 233.000| 261.412| 275.500 | \n| 10| 275.500| 270.511| 286.500 | \n| 11| 286.500| 281.149| 291.000 | \n| 12| 291.000| 294.590| 298.300 | \n| 13| 298.300| 303.151| 307.500 | \n| 14| 307.500| 310.007| 312.500 | \n| 15| 312.500| 316.434| 320.300 | \n| 16| 320.300| 333.076| 345.000 | \n| 17| 345.000| 381.997| 412.500 | \n| 18| 412.500| 607.723| 850.000 | \n \n### Using the Utility.\n\nThe utility is built and executed for each application because the RXNS_DATA_MODULE.F90 file can change between applications. It is a FORTRAN program and the bldrun script specifies what compiler to use.\n\nTo use the utility follow the below instructions.\n\n1) Copy and edit bldrun.inline_phot_preproc.csh (see Table 2.) for your compiler and Mechanism. Save and run to build the software.\n\n2) IF NEEDED, modify src/inline_phot_preproc.makefile based on the compilers and their flags on your computer platform.\n\n3) If the application uses photolysis rates whose cross-section and quantum yields are not listed under the subdirectory, _photolysis_CSQY_data_, create the data files for each rate and add them to the directory.\n\n4) Execute the script. Check the bldrun.log file if the executable does not produce CSQY_DATA table in the output directory. \n
Table 2. inline_phot_preproc bldrun script run time or environment settings
\n\n | Names | Definition | Notes or Recommeded Value | \n |:-----|:-----|:------| \n | COMPILER | FORTRAN compiler to building create_ebi | the utility's makefile, _src/inline_phot_preproc.makefile_, is step up for the Intel (INTEL), Portland Group (PGF90) and GCC gfortran (GFORT) compilers. If a separate compiler is to be used, the user has to modify the makefile to define the compiler and its compile flags, recommend including debugging flags| \n | RXNS_DATA_SRC | Full path to mechanism's RXNS_DATA_MODULE.F90 or mechanism include files | Produced by CHEMMECH utility | \n | USE_RXNS_MODULES | whether FORTRAN 90 describe the photochemical mechanism | T if CMAQ v5.1 or higher but comment out if CMAQ v5.02 and lower | \n | WVL_AE_REFRAC | Whether to include spectral values of refractive indices for aerosol species | T if CMAQ v5.1 or higher and if CMAQ lower than version 5.1 | \n | SPLIT_OUTPUT | whether optical and CSQY data written to two separate files | T if CMAQ v5.1 or higher and if CMAQ lower than version 5.1 | \n | N_WAVEBANDS_OUT | Number of Wavebands to write to output files starting from the band with the longest | range 1 to 18; use 7 for CMAQ and 11 from MPAS-CMAQ | \n | APPL | Name of the photochemical mechanism for application | values equals MECHNAME in RXNS_DATA_MODULE.F90 | \n | WVBIN_FILE | Full path to file defining the wavelength bins | ${CMAQ_REPO}/UTIL/inline_phot_preproc/flux_data/wavel-bins.dat |\n | FLUX_FILE | Full path to solar flux file used for averaging over the wavelength bins | ${CMAQ_REPO}/UTIL/inline_phot_preproc/flux_data/solar-p05nm-UCI.dat | \n | CSQY_DATA_RAW | Path to directory with ASCII files containing cross-section and quantum yield versus wavelength for photolysis rates in the photochemical mechanism | ${CMAQ_REPO}/inline_phot_preproc/photolysis_CSQY_data; individual file names correspond to values of the PHOTAB array in the RXNS_DATA_MODULE.F90 file | \n | MAX_NUMB_REFRACT | maximum number of aerosol refractive indices to be use | 16, the value can be greater than the actual number used |\n | AE_REFRAC_LIST | Lists names of environment variable defining file paths to each aerosol refractive index | \"index1 index2 ... indexn\" in general where indexi defines from 1 to MAX_NUMB_REFRACT file paths. The current build-runscript use **\"WATER SOLUTE DUST SEASALT SOOT ISOP_NOX ISOP_SOX LIMONENE_SOA APINENE_SOA NAPTH_SOA MXYL_HIGH_NOX MXYL_LOW_NOX TOLU_HIGH_NOX TOLU_LOW_NOX ORGCARB BIOMASS\"** but can be changed. Read the section on aerosol refractive indices. | \n | index1 | Full path to file containing the refractive index 1 | ${CMAQ_REPO}/inline_phot_preproc/refractive_indices/water_refractive_index.dat, WATER |\n | index2 | Full path to file containing the refractive index 2 | ${CMAQ_REPO}/inline_phot_preproc/inline_phot_preproc/refractive_indices/OPAC_water_clouds/inso00, DUST |\n | index3 | Full path to file containing the refractive index 3 | ${CMAQ_REPO}/inline_phot_preproc/inline_phot_preproc/refractive_indices/OPAC_water_clouds/waso00, SOLUTE |\n | indexn | Full path to file containing the refractive index n | ${CMAQ_REPO}/inline_phot_preproc/inline_phot_preproc/refractive_indicesadient_aerosol_refrac_indx/refract_biomass_new.txt, BIOMASS |\n | OUT_DIR | Full path to output directory | Value is the user's preference | \n \n 1. CMAQ version 5.32 and lower are hardwired to use only these refractive indices based on information set in AERO_DATA.F. Models higher than versions allows change default\n value by change the _OPTICS_ entries in the aerosol species name list.\n\n
Table 2. INLINE_PHOT_PREPROC output files
\n\n|File Name|Format|Description|\n|----------------|------------|------------------------------------------------------------|\n|CSQY_DATA_**mechanism**|ASCII|Processed cross-sections and quantum yields as a function of temperature and wavelength bin; **mechanism** equals the value of MECHNAME in RXNS_DATA_MODULE.F90 |\n|PHOT_OPTICS.dat |ASCII|Wavelength, Optical and Surface Albedo Parameters for CMAQ In-Line Photolysis calculation.|\n\n\nTo report potential program errors or failures, contact Bill Hutzell/USEPA at hutzell.bill@epa.gov.\n\n### Files, configuration, and environment variables\n\nIn general, applications of inline_phot_preproc vary based on the photochemical mechanism's reaction data module, RXNS_DATA_MODULE.F90, and ASCII files containing cross-section and quantum yield data for photolysis rates used by the photochemical mechanism. The chemmech utility produces the RXNS_DATA_MODULE.F90 file. The latter files are created by the user if they do not exist under the ${CMAQ_REPO}/inline_phot_preproc/photolysis_CSQY_data directory. Each of these files have names listed in the PHOTAB array defined by the mechanism's RXNS_DATA_MODULE.F90 file (Figure 1.). The array is constucted based on reactions of the mechanism definitions file (check the chemmech README for more information). These files follow simple formatting rules (Table 3.). Check files under CSQY_DATA_RAW for examples.\n\nTable 3. General Format Rules for cross-section and quantum yield data files.\n\n* First line read gives the name of the photolysis rate used by the photochemical mechanism. The PHOTAB array in RXNS_DATA_MODULE.F90 lists the names. \n* Comment lines begin with a \"!\". Comments should give the reactions reactants and products as well as cite the source of the file's data.\n* Second line read begins with a \"B\", \"E\", \"C\", or \"P\". The first three symbols state whether the values are the Beginning, End or Center of the wavelength intervals of the data. The last symbol, \"P\", states that data should interperted as irradance value. The case determines how the data is interpolated across the wavelength bands in Table 1.\n - Interpolation scheme gives zero results for wavelengths not covered by the data file. \n* Third line read begins with \"FAC=\" followed by a real number. Its value gives a factor to convert the cross-section data into cm-2.\n* Remaining lines read give the data values for the wavelengths (nm), cross-sections and quantum yields of the photolysis rate in free format. \n\n\n
Figure 1. The PHOTAB array extracted from RXNS_DATA_MODULE.F90 for the saprc07tc_ae6_aq mechanism
\n\n INTEGER, PARAMETER :: NPHOTAB = 38\n CHARACTER( 16 ) :: PHOTAB( NPHOTAB )\n \n DATA ( PHOTAB( IRXXN ), IRXXN = 1, NPHOTAB ) / & \n & 'NO2_06 ', 'NO3NO_06 ', 'NO3NO2_6 ', & \n & 'O3O1D_06 ', 'O3O3P_06 ', 'HONO_06 ', & \n & 'HNO3 ', 'HNO4_06 ', 'H2O2 ', & \n & 'PAN ', 'HCHOR_06 ', 'HCHOM_06 ', & \n & 'CCHO_R ', 'C2CHO ', 'ACET_06 ', & \n & 'MEK_06 ', 'COOH ', 'GLY_07R ', & \n & 'GLY_07M ', 'MGLY_06 ', 'BACL_07 ', & \n & 'BALD_06 ', 'AFG1 ', 'MACR_06 ', & \n & 'MVK_06 ', 'IC3ONO2 ', 'HOCCHO_IUPAC ', & \n & 'ACRO_09 ', 'PAA ', 'CL2 ', & \n & 'CLNO_06 ', 'CLONO ', 'CLNO2 ', & \n & 'CLONO2_1 ', 'CLONO2_2 ', 'HOCL_06 ', & \n & 'CLCCHO ', 'CLACET '/\n\n\nTo make the CMAQ CCTM use a new CSQY_DATA_**mechanism**, modify the value of CSQY_DATA in the CCTM run-script to equal the new file. CCTM needs to be compiled with RXNS_DATA_MODULE.F90 used to create the new file. Compiling CCTM also needs to use the RXNS_FUNC_MODULE.F90 that the chemmech utility produced along with the RXNS_DATA_MODULE.F90. \n\nIf an applications of inline_phot_preproc changes the N_WAVEBANDS_OUT from the standard value, 7, the CCTM run-script has use the new CSQY_DATA_**mechanism** and PHOT_OPTICS.dat files. \n\n#### Aerosol Refractive Indices\n\n
Table 3. Aerosol Refractive defined in build-run script
\n\nThe current build-run script uses Table 3's refractive indices. Their raw data files are located\nunder the _refractive indices_ subdirectory. After processing this data, inline_phot_preproc\nwrites results to the PHOT_OPTICS.dat file read by the CCTM model. A user may\nchange refractive indices written to PHOT_OPTICS.dat by changing **AE_REFRAC_LIST** then setting\nnew environment variables in the new list and/or by changing values of environment variables in\nthe existing list. The _refractive indices_ subdirectory also contain data files that can be used.\nIf a user wants to use their own data, the files have to use the same format as the current repository's files. \nNote that wavelengths have to use nanometers as their units.\n\n | Names | Definition or aerosol material | Source | \n |:--------------|:---------------------------------------------|:---------------------| \n | WATER | water in the aqueous aerosol component | Segelstein, D., 1981 |\n | DUST | insoluble mineral and unidentified material | OPAC software package (M. Hess et. al, 1998) | \n | SOLUTE | inorganic solutes in aqueous aerosol component such as SO4, NH4, NO3 and CL ions | OPAC software package (M. Hess et. al, 1998) |\n | SOOT | insoluble elemental carbon | Chang,H & T.T. Charalmpopoulos (1990), Bond, T.C. & R.W. Bergstrom (2006), Personal Communication from Tami Bond. |\n | SEASALT | material from sea spray | OPAC software package (M. Hess et. al, 1998) |\n | ISOP_NOX | organic material from isoprene oxidation and later reactions with NOx | Nakayama et. al (2018) |\n | ISOP_SOX | organic material from isoprene oxidation and later reactions with SOx | Nakayama et. al (2018) |\n | LIMONENE_SOA | organic material from limonene oxidation similar biogenic gases | Lui et. al (2013) |\n | APINENE_SOA | organic material from alpha-pinene oxidation similar biogenic gases | Lui et. al (2013) |\n | NAPTH_SOA | organic material from polycyclic aromatic hydrocarbon oxidation | Lambe et. al (2013) |\n | MXYL_HIGH_NOX | organic material from xylenes oxidation under high NOx | Lui et. al (2015) |\n | MXYL_LOW_NOX | organic material from xylenes oxidation under low NOx | Lui et. al (2015) |\n | TOLU_HIGH_NOX | organic material from toluene oxidation under high NOx | Lui et. al (2015) |\n | TOLU_LOW_LOW | organic material from toluene oxidation under low NOx | Lui et. al (2015) |\n | ORGCARB | general organic material | Assembled from numerous sources by Adient review (McMeeking et. al, 2010) |\n | BIOMASS | organic material from biomass combustion | Assembled from numerous sources by Adient review (McMeeking et. al, 2010) |\n\n### References \n\nADIENT database: http://www.met.rdg.ac.uk/~adient/refractiveindices.html, last accessed on January 22, 2021.\n\nBian H. and Prather M. J. (2002). Fast-J2: Accurate Simulation of Stratospheric Photolysis in Global Chemical Models, J. Atmos. Chem., 41, 281-296. (Table I & II corrected, June 2008).\n\nBond, T.C. (2012), personal communication.\n\nBond, T.C. & R.W. Bergstrom (2006) Light absorption by\nCarbonaceous Particles: An investigative review,\nAerosol Science and Technology. Vol. 40. pp 27-67\n\nChang,H and T.T. Charalmpopoulos (1990) Determination of the\nwavelength dependence of refractive indices of flame soot,\nProceeding of the Royal Society of London A, Vol. 430, pp 577-591.\n\nHess M., Koepke P., and I. (1998): Optical Properties of Aerosols and clouds: The software package OPAC, Bull. Am. Met. Soc., 79, 831-844.\n\nAndrew T. Lambe, Christopher D. Cappa, Paola Massoli, Timothy B. Onasch, Sara D. Forestieri, Alexander T. Martin, Molly J. Cummings,\nDavid R. Croasdale, William H. Brune, Douglas R. Worsnop, and Paul Davidovits (2013).\nEnvironmental Science & Technology, 47(12), 6349-6357, DOI: 10.1021/es401043j.\n\nLiu P.F., Yue Zhang, and Scot T. Martin (2013).\nComplex Refractive Indices of Thin Films of Secondary Organic Materials by Spectroscopic Ellipsometry from 220 to 1200 nm\nEnvironmental Science & Technology 47(23), 13594-13601, DOI: 10.1021/es403411e.\n\nLiu P.F., N. Abdelmalki, H.-M. Hung, Y. Wang, W. H. Brune and S. T. Martin (2015).\nUltraviolet and visible complex refractive indices of secondary organic \nmaterial produced by photooxidation of the aromatic compounds toluene and m-xylene\nAtmos. Chem. Phys., 15, 1435-1446, doi:10.5194/acp-15-1435-2015.\n\nMcMeeking, G. R., Hamburger, T., Liu, D., Flynn, M., Morgan, W. T., Northway, M., Highwood,\n5 E. J., Krejci, R., Allan, J. D., Minikin, A., and Coe, H. (2010). Black carbon measurements in the\nboundary layer over western and northern Europe, Atmos. Chem. Phys., 10, 93939414,\ndoi:10.5194/acp-10-9393-2010.\n\nNakayama T., Kei Sato, Takashi Imamura, and Yutaka Matsumi (2018).\nEffect of Oxidation Process on Complex Refractive Index of Secondary Organic Aerosol Generated from Isoprene.\nEnvironmental Science & Technology 52(5), 2566-2574. DOI: 10.1021/acs.est.7b05852\n\nSegelstein, D., (1981), The Complex Refractive Index of Water, M.S. Thesis, University of Missouri--Kansas City, MO.\n\n/\n" }, { "path": "UTIL/inline_phot_preproc/docs/README.txt", "content": "# CMAQ.inline phot preprocessor\n\n## General Information\n\nThe utility creates two input files used by the in-line method for calculating\nphotolysis rates. The CSQY_DATA_\"mechanism\" file contains the cross-section \nand quantum yields for the photolysis rates used by the specified photochemical\n\"mechanism\". The \"mechanism\" is determined the RXNS_DATA_MODULE.F90 for \nbuilding and running the utility. The PHOT_OPTICS.dat file gives the optical\nproperties for cloud water and ice plus the refractive indice for aerosol \nspecies. The file does not change between photochemical \"mechanisms\". When \nusing the files for CCTM executions, the number of wavebands defined in the \nCSQY_DATA_\"mechanism\" and PHOT_OPTICS.dat files need to be the same. The \nbuildrun script sets this number.\n\n\n## Using the Utility.\n\nThe utility uses FORTRAN. It is built and executed for each application \nbecause the RXNS_DATA_MODULE.F90 file can change between applications. \n\nTo use the utility follow the below instructions.\n\n1) Copy and edit scripts/bldrun.inline_phot_preproc.csh for your compiler \nand Mechanism. Save and run to build the software.\n\n2) IF NECESSARY, modify src/inline_phot_preproc.makefile based on the \ncompilers and their flags on your computer platform.\n\n3) If application uses photolysis rates whose cross-section and quantum yields\nare not listed under photolysis_CSQY_data, create the data files and add them \nto the directory.\n \n4) Execute the script. Check the bldrun.log file if the executable does not \nproduce CSQY_DATA table in the output directory. \n\nTo report potential program errors or failures, contact Bill Hutzell/USEPA at\nhutzell.bill@epa.gov\n" }, { "path": "UTIL/inline_phot_preproc/ice_clouds/fu96.asy", "content": "# Q. Fu, An Accurate Parameterization of the Solar Radiative \n# Properties of Cirrus Clouds for Climate Models, Journal of \n# Climate 9, 2058-2082, 1996.\n#\n# Asymmetry factor g = c0 + c1 * D + c2 * D**2 +c3 * D**3, eq. 3.9c\n#\n# Band limit c0 c1 c2 c3\n# (um)\n#\n0.25 0.30 0.733260e-00 0.918317e-03 -0.422974e-06 -0.107976e-07\n0.30 0.33 0.737809e-00 0.897515e-03 -0.217099e-06 -0.116090e-07\n0.33 0.36 0.740926e-00 0.890216e-03 -0.187919e-06 -0.116760e-07\n0.36 0.40 0.743546e-00 0.908674e-03 -0.465326e-06 -0.105786e-07\n0.40 0.44 0.747054e-00 0.886508e-03 -0.259305e-06 -0.113305e-07\n0.44 0.48 0.748613e-00 0.890545e-03 -0.344038e-06 -0.110117e-07\n0.48 0.52 0.749856e-00 0.889161e-03 -0.349578e-06 -0.109913e-07\n0.52 0.57 0.751135e-00 0.909208e-03 -0.634939e-06 -0.984390e-08\n0.57 0.64 0.752131e-00 0.937763e-03 -0.972292e-06 -0.862063e-08\n0.64 0.69 0.749693e-00 0.105446e-02 -0.232576e-05 -0.358307e-08\n0.69 0.75 0.753393e-00 0.961630e-03 -0.132519e-05 -0.717071e-08\n0.75 0.78 0.751779e-00 0.103341e-02 -0.213121e-05 -0.424308e-08\n0.78 0.87 0.752318e-00 0.104224e-02 -0.226618e-05 -0.368283e-08\n0.87 1.00 0.751715e-00 0.110166e-02 -0.291300e-05 -0.137242e-08\n1.00 1.10 0.752048e-00 0.112044e-02 -0.311826e-05 -0.570868e-09\n1.10 1.19 0.752292e-00 0.114395e-02 -0.327944e-05 -0.242583e-09\n1.19 1.41 0.751277e-00 0.129824e-02 -0.499075e-05 0.633757e-08\n1.41 1.53 0.752528e-00 0.195748e-02 -0.102495e-04 0.235479e-07\n1.53 1.64 0.751497e-00 0.205963e-02 -0.112135e-04 0.273998e-07\n1.64 2.13 0.758748e-00 0.202709e-02 -0.117029e-04 0.295195e-07\n2.13 2.38 0.775916e-00 0.174517e-02 -0.921314e-05 0.215003e-07\n2.38 2.91 0.829283e-00 0.206865e-02 -0.159247e-04 0.501791e-07\n2.91 3.42 0.919599e-00 0.503025e-03 -0.574771e-05 0.201731e-07\n3.42 4.00 0.759183e-00 0.493765e-02 -0.484059e-04 0.165801e-06\n4.00 4.99 0.799084e-00 0.481706e-02 -0.513220e-04 0.184420e-06\n" }, { "path": "UTIL/inline_phot_preproc/ice_clouds/fu96.del", "content": "# Q. Fu, An Accurate Parameterization of the Solar Radiative \n# Properties of Cirrus Clouds for Climate Models, Journal of \n# Climate 9, 2058-2082, 1996.\n#\n# delta-fraction f = d0 + d1 * D + d2 * D**2 +d3 * D**3, eq. 3.9d\n#\n# Band limit d0 d1 d2 d3\n# (um)\n#\n0.25 0.30 0.119114e-00 0.271746e-03 0.167483e-05 -0.114603e-07\n0.30 0.33 0.118072e-00 0.271772e-03 0.169253e-05 -0.115557e-07\n0.33 0.36 0.117402e-00 0.266303e-03 0.177039e-05 -0.118611e-07\n0.36 0.40 0.116918e-00 0.259549e-03 0.186749e-05 -0.122603e-07\n0.40 0.44 0.116280e-00 0.260187e-03 0.186852e-05 -0.122767e-07\n0.44 0.48 0.115924e-00 0.257563e-03 0.190915e-05 -0.124662e-07\n0.48 0.52 0.115698e-00 0.253051e-03 0.196886e-05 -0.127068e-07\n0.52 0.57 0.115399e-00 0.254148e-03 0.195306e-05 -0.126367e-07\n0.57 0.64 0.115075e-00 0.253778e-03 0.196362e-05 -0.126915e-07\n0.64 0.69 0.114851e-00 0.253877e-03 0.195544e-05 -0.126520e-07\n0.69 0.75 0.114702e-00 0.249621e-03 0.200834e-05 -0.128407e-07\n0.75 0.78 0.114529e-00 0.252697e-03 0.196954e-05 -0.126964e-07\n0.78 0.87 0.114363e-00 0.251588e-03 0.197763e-05 -0.127169e-07\n0.87 1.00 0.114063e-00 0.252039e-03 0.196981e-05 -0.127049e-07\n1.00 1.10 0.113929e-00 0.243713e-03 0.205704e-05 -0.130243e-07\n1.10 1.19 0.113586e-00 0.247068e-03 0.200607e-05 -0.128484e-07\n1.19 1.41 0.113458e-00 0.234418e-03 0.205104e-05 -0.129739e-07\n1.41 1.53 0.112862e-00 -0.588231e-04 0.228614e-05 -0.133209e-07\n1.53 1.64 0.112523e-00 -0.108250e-04 0.197961e-05 -0.125509e-07\n1.64 2.13 0.109846e-00 -0.277684e-03 0.325839e-05 -0.165331e-07\n2.13 2.38 0.107118e-00 0.719242e-04 0.192582e-05 -0.122234e-07\n2.38 2.91 0.890564e-01 -0.274978e-03 0.339897e-05 -0.160260e-07\n2.91 3.42 0.187637e-02 -0.671949e-04 0.800971e-06 -0.306127e-08\n3.42 4.00 0.980959e-02 -0.176412e-02 0.148821e-04 -0.488661e-07\n4.00 4.99 0.800921e-01 -0.196027e-02 0.192241e-04 -0.663994e-07\n" }, { "path": "UTIL/inline_phot_preproc/ice_clouds/fu96.ext", "content": "# Q. Fu, An Accurate Parameterization of the Solar Radiative \n# Properties of Cirrus Clouds for Climate Models, Journal of \n# Climate 9, 2058-2082, 1996.\n#\n# Extinction coefficient b = IWC * (a0 + a1/D), eq. 3.9a\n#\n# Band limit a0 a1\n# (um)\n#\n0.25 0.30 -0.236447e-03 0.253817e+01\n0.30 0.33 -0.266955e-03 0.254179e+01\n0.33 0.36 -0.293599e-03 0.254540e+01\n0.36 0.40 -0.258858e-03 0.253815e+01\n0.40 0.44 -0.106451e-03 0.252684e+01\n0.44 0.48 0.129121e-03 0.250410e+01\n0.48 0.52 -0.945458e-04 0.252061e+01\n0.52 0.57 -0.303108e-04 0.251805e+01\n0.57 0.64 0.982244e-04 0.250875e+01\n0.64 0.69 0.161983e-03 0.250746e+01\n0.69 0.75 -0.304991e-03 0.254412e+01\n0.75 0.78 0.226539e-03 0.249909e+01\n0.78 0.87 0.810443e-04 0.251619e+01\n0.87 1.00 0.737638e-04 0.251051e+01\n1.00 1.10 -0.614288e-03 0.256520e+01\n1.10 1.19 0.413595e-03 0.248783e+01\n1.19 1.41 0.651659e-04 0.251660e+01\n1.41 1.53 -0.805155e-03 0.257600e+01 \n1.53 1.64 0.644675e-03 0.247060e+01\n1.64 2.13 -0.837325e-04 0.252504e+01\n2.13 2.38 0.489477e-03 0.248776e+01\n2.38 2.91 0.234245e-03 0.248573e+01\n2.91 3.42 0.297295e-03 0.248895e+01\n3.42 4.00 0.187598e-03 0.251396e+01\n4.00 4.99 -0.254823e-03 0.252909e+01\n" }, { "path": "UTIL/inline_phot_preproc/ice_clouds/fu96.ssa", "content": "# Q. Fu, An Accurate Parameterization of the Solar Radiative \n# Properties of Cirrus Clouds for Climate Models, Journal of \n# Climate 9, 2058-2082, 1996.\n#\n# Coalbedo 1-w = b0 + b1 * D + b2 * D**2 +b3 * D**3, eq. 3.9b\n#\n# Band limit b0 b1 b2 b3\n# (um)\n#\n0.25 0.30 -0.269919e-06 0.212909e-06 -0.265397e-09 0.112983e-11\n0.30 0.33 -0.100570e-06 0.160441e-06 -0.205663e-09 0.888595e-12\n0.33 0.36 0.182299e-06 0.112454e-06 -0.108031e-09 0.499801e-12\n0.36 0.40 -0.198529e-06 0.939480e-07 -0.254540e-09 0.110876e-11\n0.40 0.44 0.325057e-07 0.543665e-07 -0.924925e-10 0.453386e-12\n0.44 0.48 0.710418e-06 0.142205e-07 0.199874e-09 -0.781101e-12\n0.48 0.52 0.508447e-06 0.273206e-07 0.496553e-10 -0.186001e-12\n0.52 0.57 0.989368e-07 0.544286e-07 -0.100877e-09 0.456410e-12\n0.57 0.64 -0.893276e-07 0.114916e-06 -0.162990e-09 0.653291e-12\n0.64 0.69 -0.778001e-07 0.253360e-06 -0.115489e-09 0.465084e-12\n0.69 0.75 0.312168e-06 0.493304e-06 0.179019e-09 -0.731058e-12\n0.75 0.78 -0.275031e-06 0.972285e-06 -0.223685e-09 0.575512e-12\n0.78 0.87 -0.157963e-06 0.172475e-05 0.902156e-10 -0.379423e-12\n0.87 1.00 -0.232733e-06 0.641602e-05 0.197733e-09 -0.696836e-12\n1.00 1.10 -0.938455e-05 0.177414e-04 -0.113004e-08 0.237196e-11\n1.10 1.19 0.647675e-05 0.218111e-04 0.183054e-08 -0.828710e-11\n1.19 1.41 -0.148012e-06 0.902355e-04 -0.198190e-07 0.401914e-10\n1.41 1.53 -0.285518e-04 0.171993e-02 -0.743697e-05 0.209647e-07\n1.53 1.64 0.201931e-02 0.183364e-02 -0.700232e-05 0.184287e-07\n1.64 2.13 0.253234e-02 0.175078e-02 -0.800994e-05 0.231309e-07\n2.13 2.38 0.583469e-03 0.118127e-02 -0.340011e-05 0.878549e-08\n2.38 2.91 0.905631e-01 0.293935e-02 -0.189176e-04 0.593361e-07\n2.91 3.42 0.464416e-00 0.204716e-04 -0.460373e-06 0.203198e-08\n3.42 4.00 0.196793e-00 0.575235e-02 -0.529220e-04 0.176618e-06\n4.00 4.99 0.260155e-00 0.545547e-02 -0.558760e-04 0.197086e-06\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/ACET-06", "content": "ACET-06 \n! CH3-CO-CH3 + HV = Radical products \n! IUPAC Subcommittee on Gas Kinetic Data Evaluation Data Sheet P7 \n! This datasheet updated: 19th December 2005. \n! Website: http://www.iupac-kinetic.ch.cam.ac.uk/. \n! IUPAC recommendations used for both absorption cross sections and quantum yield\n! Cross sections and quantum yields are for 298K only. \n! Uncertain whether the cross sections are calculated correctly from the complex \n! \nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n280.0 4.910E-20 0.6000\n281.0 4.860E-20 0.5820\n282.0 4.790E-20 0.5630\n283.0 4.710E-20 0.5440\n284.0 4.620E-20 0.5260\n285.0 4.540E-20 0.5070\n286.0 4.440E-20 0.4890\n287.0 4.360E-20 0.4710\n288.0 4.280E-20 0.4530\n289.0 4.150E-20 0.4360\n290.0 4.060E-20 0.4190\n291.0 3.950E-20 0.4020\n292.0 3.820E-20 0.3850\n293.0 3.710E-20 0.3700\n294.0 3.570E-20 0.3540\n295.0 3.420E-20 0.3390\n296.0 3.260E-20 0.3240\n297.0 3.110E-20 0.3100\n298.0 2.980E-20 0.2960\n299.0 2.820E-20 0.2830\n300.0 2.670E-20 0.2700\n301.0 2.580E-20 0.2580\n302.0 2.450E-20 0.2460\n303.0 2.300E-20 0.2240\n304.0 2.180E-20 0.1950\n305.0 2.050E-20 0.1700\n306.0 1.890E-20 0.1470\n307.0 1.750E-20 0.1270\n308.0 1.610E-20 0.1110\n309.0 1.490E-20 0.0960\n310.0 1.360E-20 0.0840\n311.0 1.240E-20 0.0730\n312.0 1.140E-20 0.0640\n313.0 1.060E-20 0.0560\n314.0 9.440E-21 0.0500\n315.0 8.370E-21 0.0440\n316.0 7.600E-21 0.0390\n317.0 6.840E-21 0.0350\n318.0 5.980E-21 0.0310\n319.0 5.230E-21 0.0280\n320.0 4.550E-21 0.0250\n321.0 4.110E-21 0.0230\n322.0 3.480E-21 0.0210\n323.0 2.940E-21 0.0190\n324.0 2.480E-21 0.0170\n325.0 2.100E-21 0.0160\n326.0 1.740E-21 0.0140\n327.0 1.410E-21 0.0130\n328.0 1.130E-21 0.0120\n329.0 9.130E-22 0.0110\n330.0 7.400E-22 0.0100\n331.0 5.860E-22 0.0090\n332.0 4.650E-22 0.0090\n333.0 3.750E-22 0.0080\n334.0 3.110E-22 0.0070\n335.0 2.480E-22 0.0070\n336.0 1.990E-22 0.0060\n337.0 1.620E-22 0.0060\n338.0 1.350E-22 0.0050\n339.0 1.130E-22 0.0050\n340.0 9.120E-23 0.0050\n341.0 7.290E-23 0.0040\n342.0 5.830E-23 0.0040\n343.0 4.940E-23 0.0040\n344.0 3.650E-23 0.0040\n345.0 3.010E-23 0.0030\n346.0 2.350E-23 0.0030\n347.0 1.580E-23 0.0030\n348.0 1.110E-23 0.0030\n349.0 1.070E-23 0.0020\n350.0 0.000E+00 0.0000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/ACETONE_RADM88", "content": "ACETONE_RADM88\n! Acetone Photolysis (ACETONE)\n! CH3COCH3 + hv -> CH3 + CH3CO \n! Taken from the original RADM data\n! format: wl, abs_cs, qy\nBeginning\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n 277.778 5.300E-20 7.655E-02\n 281.690 5.300E-20 7.655E-02\n 285.714 5.100E-20 7.655E-02\n 289.855 4.400E-20 7.655E-02\n 294.118 3.500E-20 7.655E-02\n 298.500 3.000E-20 7.655E-02\n 302.500 2.800E-20 7.655E-02\n 303.500 2.500E-20 7.655E-02\n 304.500 2.300E-20 7.655E-02\n 305.500 2.100E-20 7.655E-02\n 306.500 2.000E-20 7.655E-02\n 307.500 1.800E-20 7.655E-02\n 308.500 1.700E-20 7.655E-02\n 309.500 1.500E-20 7.655E-02\n 310.500 1.400E-20 7.655E-02\n 311.500 1.300E-20 7.655E-02\n 312.500 1.200E-20 7.655E-02\n 313.500 1.100E-20 7.655E-02\n 314.500 9.200E-21 7.655E-02\n 317.500 5.300E-21 7.655E-02\n 322.500 2.800E-21 7.655E-02\n 327.500 1.900E-21 7.655E-02\n 332.500 0.000E+00 7.655E-02\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/ACETONE_SAPRC99", "content": "ACETONE\n! ACETONE + HV = CH3CO. + CH3.\n! SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\n! Created from PhotDat.xls on 29-Jan-2000 10:07\nPoints (the mechanism was evaluated assuming this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n250.0 2.470E-20 0.760\n254.0 3.040E-20 0.776\n258.0 3.610E-20 0.792\n262.0 4.150E-20 0.768\n266.0 4.580E-20 0.704\n270.0 4.910E-20 0.640\n274.0 5.060E-20 0.604\n278.0 5.070E-20 0.568\n280.0 5.050E-20 0.550\n281.0 5.010E-20 0.525\n282.0 4.940E-20 0.500\n283.0 4.860E-20 0.475\n284.0 4.760E-20 0.450\n285.0 4.680E-20 0.425\n286.0 4.580E-20 0.400\n287.0 4.500E-20 0.375\n288.0 4.410E-20 0.350\n289.0 4.290E-20 0.325\n290.0 4.190E-20 0.302\n291.0 4.080E-20 0.284\n292.0 3.940E-20 0.266\n293.0 3.810E-20 0.249\n294.0 3.670E-20 0.232\n295.0 3.520E-20 0.217\n296.0 3.350E-20 0.201\n297.0 3.200E-20 0.187\n298.0 3.070E-20 0.173\n299.0 2.910E-20 0.160\n300.0 2.770E-20 0.147\n301.0 2.660E-20 0.135\n302.0 2.530E-20 0.124\n303.0 2.370E-20 0.114\n304.0 2.240E-20 0.104\n305.0 2.110E-20 0.095\n306.0 1.950E-20 0.086\n307.0 1.800E-20 0.078\n308.0 1.660E-20 0.071\n309.0 1.540E-20 0.064\n310.0 1.410E-20 0.057\n311.0 1.280E-20 0.052\n312.0 1.170E-20 0.046\n313.0 1.080E-20 0.042\n314.0 9.670E-21 0.037\n315.0 8.580E-21 0.033\n316.0 7.770E-21 0.029\n317.0 6.990E-21 0.026\n318.0 6.080E-21 0.023\n319.0 5.300E-21 0.020\n320.0 4.670E-21 0.018\n321.0 4.070E-21 0.016\n322.0 3.440E-21 0.014\n323.0 2.870E-21 0.012\n324.0 2.430E-21 0.011\n325.0 2.050E-21 0.009\n326.0 1.680E-21 0.008\n327.0 1.350E-21 0.007\n328.0 1.080E-21 0.006\n329.0 8.600E-22 0.005\n330.0 6.700E-22 0.005\n331.0 5.100E-22 0.004\n332.0 4.000E-22 0.003\n333.0 3.100E-22 0.003\n334.0 2.600E-22 0.002\n335.0 1.700E-22 0.002\n336.0 1.400E-22 0.002\n337.0 1.100E-22 0.002\n338.0 9.000E-23 0.001\n339.0 6.000E-23 0.001\n340.0 5.000E-23 0.001\n341.0 5.000E-23 0.001\n342.0 3.000E-23 0.001\n343.0 4.000E-23 0.001\n344.0 2.000E-23 0.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/ACET_06", "content": "ACET-06 \n! CH3-CO-CH3 + HV = Radical products \n! IUPAC Subcommittee on Gas Kinetic Data Evaluation Data Sheet P7 \n! This datasheet updated: 19th December 2005. \n! Website: http://www.iupac-kinetic.ch.cam.ac.uk/. \n! IUPAC recommendations used for both absorption cross sections and quantum yield\n! Cross sections and quantum yields are for 298K only. \n! Uncertain whether the cross sections are calculated correctly from the complex \n! \nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n280.0 4.910E-20 0.6000\n281.0 4.860E-20 0.5820\n282.0 4.790E-20 0.5630\n283.0 4.710E-20 0.5440\n284.0 4.620E-20 0.5260\n285.0 4.540E-20 0.5070\n286.0 4.440E-20 0.4890\n287.0 4.360E-20 0.4710\n288.0 4.280E-20 0.4530\n289.0 4.150E-20 0.4360\n290.0 4.060E-20 0.4190\n291.0 3.950E-20 0.4020\n292.0 3.820E-20 0.3850\n293.0 3.710E-20 0.3700\n294.0 3.570E-20 0.3540\n295.0 3.420E-20 0.3390\n296.0 3.260E-20 0.3240\n297.0 3.110E-20 0.3100\n298.0 2.980E-20 0.2960\n299.0 2.820E-20 0.2830\n300.0 2.670E-20 0.2700\n301.0 2.580E-20 0.2580\n302.0 2.450E-20 0.2460\n303.0 2.300E-20 0.2240\n304.0 2.180E-20 0.1950\n305.0 2.050E-20 0.1700\n306.0 1.890E-20 0.1470\n307.0 1.750E-20 0.1270\n308.0 1.610E-20 0.1110\n309.0 1.490E-20 0.0960\n310.0 1.360E-20 0.0840\n311.0 1.240E-20 0.0730\n312.0 1.140E-20 0.0640\n313.0 1.060E-20 0.0560\n314.0 9.440E-21 0.0500\n315.0 8.370E-21 0.0440\n316.0 7.600E-21 0.0390\n317.0 6.840E-21 0.0350\n318.0 5.980E-21 0.0310\n319.0 5.230E-21 0.0280\n320.0 4.550E-21 0.0250\n321.0 4.110E-21 0.0230\n322.0 3.480E-21 0.0210\n323.0 2.940E-21 0.0190\n324.0 2.480E-21 0.0170\n325.0 2.100E-21 0.0160\n326.0 1.740E-21 0.0140\n327.0 1.410E-21 0.0130\n328.0 1.130E-21 0.0120\n329.0 9.130E-22 0.0110\n330.0 7.400E-22 0.0100\n331.0 5.860E-22 0.0090\n332.0 4.650E-22 0.0090\n333.0 3.750E-22 0.0080\n334.0 3.110E-22 0.0070\n335.0 2.480E-22 0.0070\n336.0 1.990E-22 0.0060\n337.0 1.620E-22 0.0060\n338.0 1.350E-22 0.0050\n339.0 1.130E-22 0.0050\n340.0 9.120E-23 0.0050\n341.0 7.290E-23 0.0040\n342.0 5.830E-23 0.0040\n343.0 4.940E-23 0.0040\n344.0 3.650E-23 0.0040\n345.0 3.010E-23 0.0030\n346.0 2.350E-23 0.0030\n347.0 1.580E-23 0.0030\n348.0 1.110E-23 0.0030\n349.0 1.070E-23 0.0020\n350.0 0.000E+00 0.0000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/ACET_CO_CRI", "content": "ACET_CO_CRI\n!1 bar, 298K quantum yields for the photolysis of acetone (CH3COCH3) \n!CH3COCH3 ---> 2CH3 + CO \n!IUPAC 2005 Recommendation \n!http://www.iupac-kinetic.ch.cam.ac.uk \n! \n!Blitz, M. A., Heard, D. E., Pilling, M. J., Arnold S. R. and M. Chipperfield, Geophys. Res. Lett. \n!L06111, doi:10.1029/2003GL018793, 2004.\n!\n!See IUPAC datasheet or spreadsheet for p & T dependent QY calculation\n! \n!phi1 (ch3+ch3+co) = qy_co \n!phi2 (ch3co+ch3) = qy_ch3co\n!phi3 (total) = qy_total \n!\n!***IMPORTANT! - only reaction channel phi2 (ch3co + ch3) is defined in MCMv3.2. \n!Either add a channel for phi1 (ch3+ch3+co) to your mechanism or use the phi3 (total) \n!for this channel in order to get the photolytic loss of acetone correct***\n!\n!wvl(nm) XC(cm2) qy_co qy_ch3co qy_total\nPoints\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n248.0 2.200E-20 0.45000 0.55000 1.00000\n266.0 4.490E-20 0.45000 0.55000 1.00000\n279.0 4.920E-20 0.19571 0.42371 0.61942\n279.5 4.915E-20 0.19055 0.41953 0.61008\n280.0 4.910E-20 0.18550 0.41523 0.60073\n280.5 4.885E-20 0.18055 0.41081 0.59136\n281.0 4.860E-20 0.17570 0.40628 0.58198\n281.5 4.825E-20 0.17096 0.40164 0.57260\n282.0 4.790E-20 0.16632 0.39691 0.56323\n282.5 4.750E-20 0.16178 0.39209 0.55387\n283.0 4.710E-20 0.15734 0.38719 0.54453\n283.5 4.665E-20 0.15300 0.38221 0.53521\n284.0 4.620E-20 0.14876 0.37716 0.52592\n284.5 4.580E-20 0.14462 0.37206 0.51668\n285.0 4.540E-20 0.14057 0.36689 0.50747\n285.5 4.490E-20 0.13662 0.36169 0.49831\n286.0 4.440E-20 0.13276 0.35644 0.48920\n286.5 4.400E-20 0.12900 0.35115 0.48015\n287.0 4.360E-20 0.12533 0.34584 0.47117\n287.5 4.320E-20 0.12174 0.34051 0.46225\n288.0 4.280E-20 0.11825 0.33515 0.45340\n288.5 4.215E-20 0.11484 0.32979 0.44463\n289.0 4.150E-20 0.11152 0.32442 0.43594\n289.5 4.105E-20 0.10828 0.31906 0.42734\n290.0 4.060E-20 0.10512 0.31369 0.41882\n290.5 4.005E-20 0.10205 0.30834 0.41039\n291.0 3.950E-20 0.09906 0.30300 0.40206\n291.5 3.885E-20 0.09614 0.29768 0.39383\n292.0 3.820E-20 0.09330 0.29239 0.38569\n292.5 3.765E-20 0.09054 0.28712 0.37766\n293.0 3.710E-20 0.08785 0.28188 0.36973\n293.5 3.640E-20 0.08524 0.27668 0.36191\n294.0 3.570E-20 0.08269 0.27151 0.35420\n294.5 3.495E-20 0.08021 0.26639 0.34660\n295.0 3.420E-20 0.07781 0.26131 0.33911\n295.5 3.340E-20 0.07546 0.25628 0.33174\n296.0 3.260E-20 0.07319 0.25129 0.32448\n296.5 3.185E-20 0.07097 0.24636 0.31733\n297.0 3.110E-20 0.06882 0.24148 0.31030\n297.5 3.045E-20 0.06673 0.23666 0.30339\n298.0 2.980E-20 0.06470 0.23190 0.29660\n298.5 2.900E-20 0.06272 0.22720 0.28992\n299.0 2.820E-20 0.06080 0.22256 0.28336\n299.5 2.745E-20 0.05894 0.21798 0.27692\n300.0 2.670E-20 0.05713 0.21347 0.27060\n300.5 2.625E-20 0.05538 0.20902 0.26439\n301.0 2.580E-20 0.05367 0.20463 0.25830\n301.5 2.515E-20 0.05201 0.20032 0.25233\n302.0 2.450E-20 0.05040 0.19607 0.24647\n302.5 2.375E-20 0.04884 0.19092 0.23976\n303.0 2.300E-20 0.04733 0.17650 0.22383\n303.5 2.240E-20 0.04586 0.16294 0.20880\n304.0 2.180E-20 0.04443 0.15024 0.19467\n304.5 2.115E-20 0.04305 0.13836 0.18141\n305.0 2.050E-20 0.04170 0.12729 0.16899\n305.5 1.970E-20 0.04040 0.11699 0.15739\n306.0 1.890E-20 0.03914 0.10744 0.14658\n306.5 1.820E-20 0.03791 0.09859 0.13650\n307.0 1.750E-20 0.03672 0.09041 0.12713\n307.5 1.680E-20 0.03557 0.08286 0.11843\n308.0 1.610E-20 0.03445 0.07591 0.11036\n308.5 1.550E-20 0.03337 0.06951 0.10288\n309.0 1.490E-20 0.03232 0.06363 0.09595\n309.5 1.425E-20 0.03130 0.05824 0.08953\n310.0 1.360E-20 0.03031 0.05329 0.08360\n310.5 1.300E-20 0.02935 0.04876 0.07811\n311.0 1.240E-20 0.02842 0.04461 0.07304\n311.5 1.190E-20 0.02752 0.04082 0.06834\n312.0 1.140E-20 0.02665 0.03735 0.06400\n312.5 1.100E-20 0.02580 0.03419 0.05999\n313.0 1.060E-20 0.02499 0.03129 0.05628\n313.5 1.002E-20 0.02419 0.02865 0.05284\n314.0 9.440E-21 0.02342 0.02624 0.04966\n314.5 8.905E-21 0.02268 0.02404 0.04671\n315.0 8.370E-21 0.02195 0.02202 0.04398\n315.5 7.985E-21 0.02126 0.02019 0.04144\n316.0 7.600E-21 0.02058 0.01851 0.03909\n316.5 7.220E-21 0.01992 0.01698 0.03690\n317.0 6.840E-21 0.01928 0.01559 0.03487\n317.5 6.410E-21 0.01867 0.01431 0.03298\n318.0 5.980E-21 0.01807 0.01314 0.03121\n318.5 5.605E-21 0.01749 0.01208 0.02957\n319.0 5.230E-21 0.01693 0.01110 0.02803\n319.5 4.890E-21 0.01639 0.01021 0.02660\n320.0 4.550E-21 0.01587 0.00939 0.02526\n320.5 4.330E-21 0.01536 0.00864 0.02400\n321.0 4.110E-21 0.01486 0.00796 0.02282\n321.5 3.795E-21 0.01439 0.00733 0.02172\n322.0 3.480E-21 0.01393 0.00675 0.02068\n322.5 3.210E-21 0.01348 0.00623 0.01970\n323.0 2.940E-21 0.01305 0.00574 0.01879\n323.5 2.710E-21 0.01263 0.00530 0.01792\n324.0 2.480E-21 0.01222 0.00489 0.01711\n324.5 2.290E-21 0.01183 0.00451 0.01634\n325.0 2.100E-21 0.01145 0.00416 0.01561\n325.5 1.920E-21 0.01108 0.00384 0.01492\n326.0 1.740E-21 0.01072 0.00355 0.01427\n326.5 1.575E-21 0.01038 0.00328 0.01366\n327.0 1.410E-21 0.01004 0.00303 0.01307\n327.5 1.270E-21 0.00972 0.00280 0.01252\n328.0 1.130E-21 0.00940 0.00259 0.23714\n328.5 1.022E-21 0.00910 0.00240 0.01150\n329.0 9.130E-22 0.00881 0.00222 0.01102\n329.5 8.265E-22 0.00852 0.00205 0.01057\n330.0 7.400E-22 0.00825 0.00190 0.01014\n330.5 6.630E-22 0.00798 0.00175 0.00973\n331.0 5.860E-22 0.00772 0.00162 0.00935\n331.5 5.255E-22 0.00747 0.00150 0.00898\n332.0 4.650E-22 0.00723 0.00139 0.00862\n332.5 4.200E-22 0.00700 0.00129 0.00829\n333.0 3.750E-22 0.00677 0.00119 0.00796\n333.5 3.430E-22 0.00655 0.00110 0.00766\n334.0 3.110E-22 0.00634 0.00102 0.00736\n334.5 2.795E-22 0.00614 0.00095 0.00708\n335.0 2.480E-22 0.00594 0.00088 0.00681\n335.5 2.235E-22 0.00574 0.00081 0.00656\n336.0 1.990E-22 0.00556 0.00075 0.00631\n336.5 1.805E-22 0.00538 0.00070 0.00608\n337.0 1.620E-22 0.00520 0.00065 0.00585\n337.5 1.485E-22 0.00504 0.00060 0.00563\n338.0 1.350E-22 0.00487 0.00055 0.00543\n338.5 1.240E-22 0.00471 0.00051 0.00523\n339.0 1.130E-22 0.00456 0.00048 0.00504\n339.5 1.021E-22 0.00441 0.00044 0.00486\n340.0 9.120E-23 0.00427 0.00041 0.00468\n340.5 8.205E-23 0.00413 0.00038 0.00451\n341.0 7.290E-23 0.00400 0.00035 0.00435\n341.5 6.560E-23 0.00387 0.00033 0.00420\n342.0 5.830E-23 0.00374 0.00030 0.00405\n342.5 5.385E-23 0.00362 0.00028 0.00390\n343.0 4.940E-23 0.00350 0.00026 0.00377\n343.5 4.295E-23 0.00339 0.00024 0.00363\n344.0 3.650E-23 0.00328 0.00023 0.00351\n344.5 3.330E-23 0.00317 0.00021 0.00338\n345.0 3.010E-23 0.00307 0.00019 0.00327\n345.5 2.680E-23 0.00297 0.00018 0.00315\n346.0 2.350E-23 0.00288 0.00017 0.00304\n346.5 1.965E-23 0.00278 0.00016 0.00294\n347.0 1.580E-23 0.00269 0.00015 0.00284\n347.5 1.345E-23 0.00260 0.00013 0.00274\n348.0 1.110E-23 0.00252 0.00013 0.00264\n348.5 1.090E-23 0.00244 0.00012 0.00255\n349.0 1.070E-23 0.00236 0.00011 0.00247\n360.0 0.000E+00 0.00000 0.00000 0.00000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/ACET_IUPAC10", "content": "ACET_IUPAC10\n! j(ACET) IUPAC(2010) \n! ACET = 0.38 CO + 1.38 MEO2 + 1.38 RO2 + 0.62 C2O3 \n! From IUPAC Subcommittee on Gas Kinetic Data Evaluation \n! Data Sheet P7, updated 19th Dec, 2005 \n!These are point values \nBegining (the mechanism evaluated with this format)\n!WL(nm) XSEC(cm2) QY\nFAC=1.0\n280.0 4.910E-20 0.600\n281.0 4.860E-20 0.582\n282.0 4.790E-20 0.563\n283.0 4.710E-20 0.544\n284.0 4.620E-20 0.526\n285.0 4.540E-20 0.507\n286.0 4.440E-20 0.489\n287.0 4.360E-20 0.471\n288.0 4.280E-20 0.453\n289.0 4.150E-20 0.436\n290.0 4.060E-20 0.419\n291.0 3.950E-20 0.402\n292.0 3.820E-20 0.385\n293.0 3.710E-20 0.370\n294.0 3.570E-20 0.354\n295.0 3.420E-20 0.339\n296.0 3.260E-20 0.324\n297.0 3.110E-20 0.310\n298.0 2.980E-20 0.296\n299.0 2.820E-20 0.283\n300.0 2.670E-20 0.270\n301.0 2.580E-20 0.258\n302.0 2.450E-20 0.246\n303.0 2.300E-20 0.224\n304.0 2.180E-20 0.195\n305.0 2.050E-20 0.170\n306.0 1.890E-20 0.147\n307.0 1.750E-20 0.127\n308.0 1.610E-20 0.111\n309.0 1.490E-20 0.096\n310.0 1.360E-20 0.084\n311.0 1.240E-20 0.073\n312.0 1.140E-20 0.064\n313.0 1.060E-20 0.056\n314.0 9.440E-21 0.050\n315.0 8.370E-21 0.044\n316.0 7.600E-21 0.039\n317.0 6.840E-21 0.035\n318.0 5.980E-21 0.031\n319.0 5.230E-21 0.028\n320.0 4.550E-21 0.025\n321.0 4.110E-21 0.023\n322.0 3.480E-21 0.021\n323.0 2.940E-21 0.019\n324.0 2.480E-21 0.017\n325.0 2.100E-21 0.016\n326.0 1.740E-21 0.014\n327.0 1.410E-21 0.013\n328.0 1.130E-21 0.012\n329.0 9.130E-22 0.011\n330.0 7.400E-22 0.010\n331.0 5.860E-22 0.009\n332.0 4.650E-22 0.009\n333.0 3.750E-22 0.008\n334.0 3.110E-22 0.007\n335.0 2.480E-22 0.007\n336.0 1.990E-22 0.006\n337.0 1.620E-22 0.006\n338.0 1.350E-22 0.005\n339.0 1.130E-22 0.005\n340.0 9.120E-23 0.005\n341.0 7.290E-23 0.004\n342.0 5.830E-23 0.004\n343.0 4.940E-23 0.004\n344.0 3.650E-23 0.004\n345.0 3.010E-23 0.003\n346.0 2.350E-23 0.003\n347.0 1.580E-23 0.003\n348.0 1.110E-23 0.003\n349.0 1.070E-23 0.002\n350.0 0.000E+00 0.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/ACET_R2_CRI", "content": "ACET_R2_CRI\n!1 bar, 298K quantum yields for the photolysis of acetone (CH3COCH3) \n!CHOCHO ---> CH3CO+CH3 \n!IUPAC 2013 Recommendation \n!http://www.iupac-kinetic.ch.cam.ac.uk \n! \n!Blitz, M. A., Heard, D. E., Pilling, M. J., Arnold S. R. and M. Chipperfield, Geophys. Res. Lett. \n!L06111, doi:10.1029/2003GL018793, 2004.\n!\n!See IUPAC datasheet or spreadsheet for p & T dependent QY calculation\n! \n!phi1 (ch3+ch3+co) = qy_co \n!phi2 (ch3co+ch3) = qy_ch3co\n!phi3 (total) = qy_total \n!\n!***IMPORTANT! - only reaction channel phi2 (ch3co + ch3) is defined in MCMv3.2. \n!Either add a channel for phi1 (ch3+ch3+co) to your mechanism or use the phi3 (total) \n!for this channel in order to get the photolytic loss of acetone correct***\n!\n!wvl(nm) XC(cm2)qy_ch3co qy_co qy_total\nPoints (the mechanism evaluated with this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n248.0 2.200E-20 0.55000 0.45000 1.00000\n266.0 4.490E-20 0.55000 0.45000 1.00000\n279.0 4.920E-20 0.42371 0.19571 0.61942\n279.5 4.915E-20 0.41953 0.19055 0.61008\n280.0 4.910E-20 0.41523 0.18550 0.60073\n280.5 4.885E-20 0.41081 0.18055 0.59136\n281.0 4.860E-20 0.40628 0.17570 0.58198\n281.5 4.825E-20 0.40164 0.17096 0.57260\n282.0 4.790E-20 0.39691 0.16632 0.56323\n282.5 4.750E-20 0.39209 0.16178 0.55387\n283.0 4.710E-20 0.38719 0.15734 0.54453\n283.5 4.665E-20 0.38221 0.15300 0.53521\n284.0 4.620E-20 0.37716 0.14876 0.52592\n284.5 4.580E-20 0.37206 0.14462 0.51668\n285.0 4.540E-20 0.36689 0.14057 0.50747\n285.5 4.490E-20 0.36169 0.13662 0.49831\n286.0 4.440E-20 0.35644 0.13276 0.48920\n286.5 4.400E-20 0.35115 0.12900 0.48015\n287.0 4.360E-20 0.34584 0.12533 0.47117\n287.5 4.320E-20 0.34051 0.12174 0.46225\n288.0 4.280E-20 0.33515 0.11825 0.45340\n288.5 4.215E-20 0.32979 0.11484 0.44463\n289.0 4.150E-20 0.32442 0.11152 0.43594\n289.5 4.105E-20 0.31906 0.10828 0.42734\n290.0 4.060E-20 0.31369 0.10512 0.41882\n290.5 4.005E-20 0.30834 0.10205 0.41039\n291.0 3.950E-20 0.30300 0.09906 0.40206\n291.5 3.885E-20 0.29768 0.09614 0.39383\n292.0 3.820E-20 0.29239 0.09330 0.38569\n292.5 3.765E-20 0.28712 0.09054 0.37766\n293.0 3.710E-20 0.28188 0.08785 0.36973\n293.5 3.640E-20 0.27668 0.08524 0.36191\n294.0 3.570E-20 0.27151 0.08269 0.35420\n294.5 3.495E-20 0.26639 0.08021 0.34660\n295.0 3.420E-20 0.26131 0.07781 0.33911\n295.5 3.340E-20 0.25628 0.07546 0.33174\n296.0 3.260E-20 0.25129 0.07319 0.32448\n296.5 3.185E-20 0.24636 0.07097 0.31733\n297.0 3.110E-20 0.24148 0.06882 0.31030\n297.5 3.045E-20 0.23666 0.06673 0.30339\n298.0 2.980E-20 0.23190 0.06470 0.29660\n298.5 2.900E-20 0.22720 0.06272 0.28992\n299.0 2.820E-20 0.22256 0.06080 0.28336\n299.5 2.745E-20 0.21798 0.05894 0.27692\n300.0 2.670E-20 0.21347 0.05713 0.27060\n300.5 2.625E-20 0.20902 0.05538 0.26439\n301.0 2.580E-20 0.20463 0.05367 0.25830\n301.5 2.515E-20 0.20032 0.05201 0.25233\n302.0 2.450E-20 0.19607 0.05040 0.24647\n302.5 2.375E-20 0.19092 0.04884 0.23976\n303.0 2.300E-20 0.17650 0.04733 0.22383\n303.5 2.240E-20 0.16294 0.04586 0.20880\n304.0 2.180E-20 0.15024 0.04443 0.19467\n304.5 2.115E-20 0.13836 0.04305 0.18141\n305.0 2.050E-20 0.12729 0.04170 0.16899\n305.5 1.970E-20 0.11699 0.04040 0.15739\n306.0 1.890E-20 0.10744 0.03914 0.14658\n306.5 1.820E-20 0.09859 0.03791 0.13650\n307.0 1.750E-20 0.09041 0.03672 0.12713\n307.5 1.680E-20 0.08286 0.03557 0.11843\n308.0 1.610E-20 0.07591 0.03445 0.11036\n308.5 1.550E-20 0.06951 0.03337 0.10288\n309.0 1.490E-20 0.06363 0.03232 0.09595\n309.5 1.425E-20 0.05824 0.03130 0.08953\n310.0 1.360E-20 0.05329 0.03031 0.08360\n310.5 1.300E-20 0.04876 0.02935 0.07811\n311.0 1.240E-20 0.04461 0.02842 0.07304\n311.5 1.190E-20 0.04082 0.02752 0.06834\n312.0 1.140E-20 0.03735 0.02665 0.06400\n312.5 1.100E-20 0.03419 0.02580 0.05999\n313.0 1.060E-20 0.03129 0.02499 0.05628\n313.5 1.002E-20 0.02865 0.02419 0.05284\n314.0 9.440E-21 0.02624 0.02342 0.04966\n314.5 8.905E-21 0.02404 0.02268 0.04671\n315.0 8.370E-21 0.02202 0.02195 0.04398\n315.5 7.985E-21 0.02019 0.02126 0.04144\n316.0 7.600E-21 0.01851 0.02058 0.03909\n316.5 7.220E-21 0.01698 0.01992 0.03690\n317.0 6.840E-21 0.01559 0.01928 0.03487\n317.5 6.410E-21 0.01431 0.01867 0.03298\n318.0 5.980E-21 0.01314 0.01807 0.03121\n318.5 5.605E-21 0.01208 0.01749 0.02957\n319.0 5.230E-21 0.01110 0.01693 0.02803\n319.5 4.890E-21 0.01021 0.01639 0.02660\n320.0 4.550E-21 0.00939 0.01587 0.02526\n320.5 4.330E-21 0.00864 0.01536 0.02400\n321.0 4.110E-21 0.00796 0.01486 0.02282\n321.5 3.795E-21 0.00733 0.01439 0.02172\n322.0 3.480E-21 0.00675 0.01393 0.02068\n322.5 3.210E-21 0.00623 0.01348 0.01970\n323.0 2.940E-21 0.00574 0.01305 0.01879\n323.5 2.710E-21 0.00530 0.01263 0.01792\n324.0 2.480E-21 0.00489 0.01222 0.01711\n324.5 2.290E-21 0.00451 0.01183 0.01634\n325.0 2.100E-21 0.00416 0.01145 0.01561\n325.5 1.920E-21 0.00384 0.01108 0.01492\n326.0 1.740E-21 0.00355 0.01072 0.01427\n326.5 1.575E-21 0.00328 0.01038 0.01366\n327.0 1.410E-21 0.00303 0.01004 0.01307\n327.5 1.270E-21 0.00280 0.00972 0.01252\n328.0 1.130E-21 0.00259 0.00940 0.23714\n328.5 1.022E-21 0.00240 0.00910 0.01150\n329.0 9.130E-22 0.00222 0.00881 0.01102\n329.5 8.265E-22 0.00205 0.00852 0.01057\n330.0 7.400E-22 0.00190 0.00825 0.01014\n330.5 6.630E-22 0.00175 0.00798 0.00973\n331.0 5.860E-22 0.00162 0.00772 0.00935\n331.5 5.255E-22 0.00150 0.00747 0.00898\n332.0 4.650E-22 0.00139 0.00723 0.00862\n332.5 4.200E-22 0.00129 0.00700 0.00829\n333.0 3.750E-22 0.00119 0.00677 0.00796\n333.5 3.430E-22 0.00110 0.00655 0.00766\n334.0 3.110E-22 0.00102 0.00634 0.00736\n334.5 2.795E-22 0.00095 0.00614 0.00708\n335.0 2.480E-22 0.00088 0.00594 0.00681\n335.5 2.235E-22 0.00081 0.00574 0.00656\n336.0 1.990E-22 0.00075 0.00556 0.00631\n336.5 1.805E-22 0.00070 0.00538 0.00608\n337.0 1.620E-22 0.00065 0.00520 0.00585\n337.5 1.485E-22 0.00060 0.00504 0.00563\n338.0 1.350E-22 0.00055 0.00487 0.00543\n338.5 1.240E-22 0.00051 0.00471 0.00523\n339.0 1.130E-22 0.00048 0.00456 0.00504\n339.5 1.021E-22 0.00044 0.00441 0.00486\n340.0 9.120E-23 0.00041 0.00427 0.00468\n340.5 8.205E-23 0.00038 0.00413 0.00451\n341.0 7.290E-23 0.00035 0.00400 0.00435\n341.5 6.560E-23 0.00033 0.00387 0.00420\n342.0 5.830E-23 0.00030 0.00374 0.00405\n342.5 5.385E-23 0.00028 0.00362 0.00390\n343.0 4.940E-23 0.00026 0.00350 0.00377\n343.5 4.295E-23 0.00024 0.00339 0.00363\n344.0 3.650E-23 0.00023 0.00328 0.00351\n344.5 3.330E-23 0.00021 0.00317 0.00338\n345.0 3.010E-23 0.00019 0.00307 0.00327\n345.5 2.680E-23 0.00018 0.00297 0.00315\n346.0 2.350E-23 0.00017 0.00288 0.00304\n346.5 1.965E-23 0.00016 0.00278 0.00294\n347.0 1.580E-23 0.00015 0.00269 0.00284\n347.5 1.345E-23 0.00013 0.00260 0.00274\n348.0 1.110E-23 0.00013 0.00252 0.00264\n348.5 1.090E-23 0.00012 0.00244 0.00255\n349.0 1.070E-23 0.00011 0.00236 0.00247\n360.0 0.000E+00 0.00000 0.00000 0.00000\n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n\n\n\n\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/ACRO-09", "content": "ACRO-09 \n! ! Chemical Kinetics and Photochemical Data for Use in Atmospheric Studies \n! Evaluation Number 15. JPL Publication 06-2. July 10, 2006 \n! The quantum yields were derived using the pressure and wavelength-dependent \n! expression given by IUPAC (2005) for MVK, \n! with the total pressure adjusted so that the radical forming photolysis rates \n! for the chamber experiments are the same as those that fit the chamber data. \n! Adjusted pressure = 1.50 atm. \n! \nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n282.0 8.400E-21 0.1058\n284.0 9.700E-21 0.0948\n286.0 1.080E-20 0.0849\n288.0 1.230E-20 0.0761\n290.0 1.460E-20 0.0682\n292.0 1.620E-20 0.0611\n294.0 1.800E-20 0.0547\n296.0 1.970E-20 0.0490\n298.0 2.180E-20 0.0439\n300.0 2.470E-20 0.0393\n302.0 2.700E-20 0.0352\n304.0 2.850E-20 0.0316\n306.0 3.090E-20 0.0283\n308.0 3.290E-20 0.0253\n310.0 3.590E-20 0.0227\n312.0 3.920E-20 0.0203\n314.0 4.150E-20 0.0182\n316.0 4.210E-20 0.0163\n318.0 4.470E-20 0.0146\n320.0 4.650E-20 0.0131\n322.0 5.080E-20 0.0117\n324.0 5.170E-20 0.0105\n326.0 5.340E-20 0.0094\n328.0 5.200E-20 0.0084\n330.0 5.310E-20 0.0076\n332.0 5.440E-20 0.0068\n334.0 5.800E-20 0.0061\n336.0 6.240E-20 0.0054\n338.0 5.460E-20 0.0049\n340.0 5.310E-20 0.0044\n342.0 5.100E-20 0.0039\n344.0 5.120E-20 0.0035\n346.0 5.300E-20 0.0031\n348.0 5.170E-20 0.0028\n350.0 5.940E-20 0.0025\n352.0 5.790E-20 0.0023\n354.0 4.180E-20 0.0020\n356.0 3.630E-20 0.0018\n358.0 3.280E-20 0.0016\n360.0 3.920E-20 0.0015\n362.0 3.720E-20 0.0013\n364.0 2.860E-20 0.0012\n366.0 3.740E-20 0.0010\n368.0 3.820E-20 0.0009\n370.0 2.170E-20 0.0008\n372.0 1.580E-20 0.0007\n374.0 1.140E-20 0.0007\n376.0 1.140E-20 0.0006\n378.0 1.240E-20 0.0005\n380.0 1.100E-20 0.0005\n382.0 8.400E-21 0.0004\n384.0 7.900E-21 0.0004\n386.0 1.180E-20 0.0003\n388.0 4.900E-21 0.0003\n390.0 2.500E-21 0.0003\n392.0 0.000E+00 0.0002\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/ACROLEIN", "content": "ACROLEIN\n! Acrolein photolysis (ACROLEIN)\n! C3H4O + hv -> products\n! Absorption cross sections for Acrolein. From Gardner et al. (1987)\n! E. P. Gardler, P. D. Sperry, and J. G. Calvert, JPC _91_, 1922 (1987)\n! Digitized from small figure.\n! format: wl, abs_cs, qy\nCentered\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n 250.0 1.803E-21 1.0\n 252.0 2.052E-21 1.0\n 253.0 2.199E-21 1.0\n 254.0 2.325E-21 1.0\n 255.0 2.452E-21 1.0\n 256.0 2.562E-21 1.0\n 257.0 2.651E-21 1.0\n 258.0 2.739E-21 1.0\n 259.0 2.828E-21 1.0\n 260.0 2.985E-21 1.0\n 261.0 3.241E-21 1.0\n 262.0 3.474E-21 1.0\n 263.0 3.580E-21 1.0\n 264.0 3.929E-21 1.0\n 265.0 4.669E-21 1.0\n 266.0 5.099E-21 1.0\n 267.0 5.383E-21 1.0\n 268.0 5.735E-21 1.0\n 269.0 6.132E-21 1.0\n 270.0 6.640E-21 1.0\n 271.0 7.197E-21 1.0\n 272.0 7.773E-21 1.0\n 273.0 8.372E-21 1.0\n 274.0 8.938E-21 1.0\n 275.0 9.546E-21 1.0\n 276.0 1.038E-20 1.0\n 277.0 1.116E-20 1.0\n 278.0 1.194E-20 1.0\n 279.0 1.267E-20 1.0\n 280.0 1.272E-20 1.0\n 281.0 1.259E-20 1.0\n 282.0 1.259E-20 1.0\n 283.0 1.283E-20 1.0\n 284.0 1.328E-20 1.0\n 285.0 1.383E-20 1.0\n 286.0 1.437E-20 1.0\n 287.0 1.496E-20 1.0\n 288.0 1.565E-20 1.0\n 289.0 1.634E-20 1.0\n 290.0 1.707E-20 1.0\n 291.0 1.782E-20 1.0\n 292.0 1.861E-20 1.0\n 293.0 1.953E-20 1.0\n 294.0 2.046E-20 1.0\n 295.0 2.147E-20 1.0\n 296.0 2.256E-20 1.0\n 297.0 2.366E-20 1.0\n 298.0 2.475E-20 1.0\n 299.0 2.598E-20 1.0\n 300.0 2.725E-20 1.0\n 301.0 2.853E-20 1.0\n 302.0 2.986E-20 1.0\n 303.0 3.130E-20 1.0\n 304.0 3.265E-20 1.0\n 305.0 3.390E-20 1.0\n 306.0 3.513E-20 1.0\n 307.0 3.635E-20 1.0\n 308.0 3.769E-20 1.0\n 309.0 3.915E-20 1.0\n 310.0 4.070E-20 1.0\n 311.0 4.250E-20 1.0\n 312.0 4.395E-20 1.0\n 313.0 4.441E-20 1.0\n 314.0 4.500E-20 1.0\n 315.0 4.594E-20 1.0\n 316.0 4.747E-20 1.0\n 317.0 4.898E-20 1.0\n 318.0 5.054E-20 1.0\n 319.0 5.188E-20 1.0\n 320.0 5.311E-20 1.0\n 321.0 5.425E-20 1.0\n 322.0 5.517E-20 1.0\n 323.0 5.599E-20 1.0\n 324.0 5.666E-20 1.0\n 325.0 5.668E-20 1.0\n 326.0 5.620E-20 1.0\n 327.0 5.635E-20 1.0\n 328.0 5.713E-20 1.0\n 329.0 5.758E-20 1.0\n 330.0 5.802E-20 1.0\n 331.0 5.950E-20 1.0\n 332.0 6.228E-20 1.0\n 333.0 6.395E-20 1.0\n 334.0 6.379E-20 1.0\n 335.0 6.238E-20 1.0\n 336.0 6.007E-20 1.0\n 337.0 5.787E-20 1.0\n 338.0 5.634E-20 1.0\n 339.0 5.562E-20 1.0\n 340.0 5.523E-20 1.0\n 341.0 5.536E-20 1.0\n 342.0 5.529E-20 1.0\n 343.0 5.467E-20 1.0\n 344.0 5.411E-20 1.0\n 345.0 5.400E-20 1.0\n 346.0 5.476E-20 1.0\n 347.0 5.902E-20 1.0\n 348.0 6.078E-20 1.0\n 349.0 6.002E-20 1.0\n 350.0 5.528E-20 1.0\n 351.0 5.031E-20 1.0\n 352.0 4.496E-20 1.0\n 353.0 4.034E-20 1.0\n 354.0 3.747E-20 1.0\n 355.0 3.545E-20 1.0\n 356.0 3.445E-20 1.0\n 357.0 3.462E-20 1.0\n 358.0 3.489E-20 1.0\n 359.0 3.414E-20 1.0\n 360.0 3.234E-20 1.0\n 361.0 2.954E-20 1.0\n 362.0 2.807E-20 1.0\n 363.0 2.909E-20 1.0\n 364.0 3.245E-20 1.0\n 365.0 3.543E-20 1.0\n 366.0 3.304E-20 1.0\n 367.0 2.776E-20 1.0\n 368.0 2.147E-20 1.0\n 369.0 1.594E-20 1.0\n 370.0 1.192E-20 1.0\n 371.0 8.994E-21 1.0\n 372.0 7.216E-21 1.0\n 373.0 5.855E-21 1.0\n 374.0 4.691E-21 1.0\n 375.0 3.721E-21 1.0\n 376.0 3.572E-21 1.0\n 377.0 3.546E-21 1.0\n 378.0 2.827E-21 1.0\n 379.0 1.690E-21 1.0\n 380.0 8.293E-24 1.0\n 381.0 0.000E-00 1.0\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/ACROLEIN_SAPRC99", "content": "ACROLEIN\n! Absorption cross sections for Acrolein.\n! SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\n! Created from PhotDat.xls on 29-Jan-2000 10:07\nPoints (the mechanism was evaluated assuming this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n250.0 1.803E-21 1.000\n252.0 2.052E-21 1.000\n253.0 2.199E-21 1.000\n254.0 2.325E-21 1.000\n255.0 2.452E-21 1.000\n256.0 2.562E-21 1.000\n257.0 2.651E-21 1.000\n258.0 2.739E-21 1.000\n259.0 2.828E-21 1.000\n260.0 2.985E-21 1.000\n261.0 3.241E-21 1.000\n262.0 3.474E-21 1.000\n263.0 3.580E-21 1.000\n264.0 3.929E-21 1.000\n265.0 4.669E-21 1.000\n266.0 5.099E-21 1.000\n267.0 5.383E-21 1.000\n268.0 5.735E-21 1.000\n269.0 6.132E-21 1.000\n270.0 6.640E-21 1.000\n271.0 7.197E-21 1.000\n272.0 7.773E-21 1.000\n273.0 8.372E-21 1.000\n274.0 8.938E-21 1.000\n275.0 9.546E-21 1.000\n276.0 1.038E-20 1.000\n277.0 1.116E-20 1.000\n278.0 1.194E-20 1.000\n279.0 1.267E-20 1.000\n280.0 1.272E-20 1.000\n281.0 1.259E-20 1.000\n282.0 1.259E-20 1.000\n283.0 1.283E-20 1.000\n284.0 1.328E-20 1.000\n285.0 1.383E-20 1.000\n286.0 1.437E-20 1.000\n287.0 1.496E-20 1.000\n288.0 1.565E-20 1.000\n289.0 1.634E-20 1.000\n290.0 1.707E-20 1.000\n291.0 1.782E-20 1.000\n292.0 1.861E-20 1.000\n293.0 1.953E-20 1.000\n294.0 2.046E-20 1.000\n295.0 2.147E-20 1.000\n296.0 2.256E-20 1.000\n297.0 2.366E-20 1.000\n298.0 2.475E-20 1.000\n299.0 2.598E-20 1.000\n300.0 2.725E-20 1.000\n301.0 2.853E-20 1.000\n302.0 2.986E-20 1.000\n303.0 3.130E-20 1.000\n304.0 3.265E-20 1.000\n305.0 3.390E-20 1.000\n306.0 3.513E-20 1.000\n307.0 3.635E-20 1.000\n308.0 3.769E-20 1.000\n309.0 3.915E-20 1.000\n310.0 4.070E-20 1.000\n311.0 4.250E-20 1.000\n312.0 4.395E-20 1.000\n313.0 4.441E-20 1.000\n314.0 4.500E-20 1.000\n315.0 4.594E-20 1.000\n316.0 4.747E-20 1.000\n317.0 4.898E-20 1.000\n318.0 5.054E-20 1.000\n319.0 5.188E-20 1.000\n320.0 5.311E-20 1.000\n321.0 5.425E-20 1.000\n322.0 5.517E-20 1.000\n323.0 5.599E-20 1.000\n324.0 5.666E-20 1.000\n325.0 5.668E-20 1.000\n326.0 5.620E-20 1.000\n327.0 5.635E-20 1.000\n328.0 5.713E-20 1.000\n329.0 5.758E-20 1.000\n330.0 5.802E-20 1.000\n331.0 5.950E-20 1.000\n332.0 6.228E-20 1.000\n333.0 6.395E-20 1.000\n334.0 6.379E-20 1.000\n335.0 6.238E-20 1.000\n336.0 6.007E-20 1.000\n337.0 5.787E-20 1.000\n338.0 5.634E-20 1.000\n339.0 5.562E-20 1.000\n340.0 5.523E-20 1.000\n341.0 5.536E-20 1.000\n342.0 5.529E-20 1.000\n343.0 5.467E-20 1.000\n344.0 5.411E-20 1.000\n345.0 5.400E-20 1.000\n346.0 5.476E-20 1.000\n347.0 5.902E-20 1.000\n348.0 6.078E-20 1.000\n349.0 6.002E-20 1.000\n350.0 5.528E-20 1.000\n351.0 5.031E-20 1.000\n352.0 4.496E-20 1.000\n353.0 4.034E-20 1.000\n354.0 3.747E-20 1.000\n355.0 3.545E-20 1.000\n356.0 3.445E-20 1.000\n357.0 3.462E-20 1.000\n358.0 3.489E-20 1.000\n359.0 3.414E-20 1.000\n360.0 3.234E-20 1.000\n361.0 2.954E-20 1.000\n362.0 2.807E-20 1.000\n363.0 2.909E-20 1.000\n364.0 3.245E-20 1.000\n365.0 3.543E-20 1.000\n366.0 3.304E-20 1.000\n367.0 2.776E-20 1.000\n368.0 2.147E-20 1.000\n369.0 1.594E-20 1.000\n370.0 1.192E-20 1.000\n371.0 8.994E-21 1.000\n372.0 7.216E-21 1.000\n373.0 5.855E-21 1.000\n374.0 4.691E-21 1.000\n375.0 3.721E-21 1.000\n376.0 3.572E-21 1.000\n377.0 3.546E-21 1.000\n378.0 2.827E-21 1.000\n379.0 1.690E-21 1.000\n380.0 8.293E-24 1.000\n381.0 0.000E+00 1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/ACRO_09", "content": "ACRO-09 \n! ! Chemical Kinetics and Photochemical Data for Use in Atmospheric Studies \n! Evaluation Number 15. JPL Publication 06-2. July 10, 2006 \n! The quantum yields were derived using the pressure and wavelength-dependent \n! expression given by IUPAC (2005) for MVK, \n! with the total pressure adjusted so that the radical forming photolysis rates \n! for the chamber experiments are the same as those that fit the chamber data. \n! Adjusted pressure = 1.50 atm. \n! \nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n282.0 8.400E-21 0.1058\n284.0 9.700E-21 0.0948\n286.0 1.080E-20 0.0849\n288.0 1.230E-20 0.0761\n290.0 1.460E-20 0.0682\n292.0 1.620E-20 0.0611\n294.0 1.800E-20 0.0547\n296.0 1.970E-20 0.0490\n298.0 2.180E-20 0.0439\n300.0 2.470E-20 0.0393\n302.0 2.700E-20 0.0352\n304.0 2.850E-20 0.0316\n306.0 3.090E-20 0.0283\n308.0 3.290E-20 0.0253\n310.0 3.590E-20 0.0227\n312.0 3.920E-20 0.0203\n314.0 4.150E-20 0.0182\n316.0 4.210E-20 0.0163\n318.0 4.470E-20 0.0146\n320.0 4.650E-20 0.0131\n322.0 5.080E-20 0.0117\n324.0 5.170E-20 0.0105\n326.0 5.340E-20 0.0094\n328.0 5.200E-20 0.0084\n330.0 5.310E-20 0.0076\n332.0 5.440E-20 0.0068\n334.0 5.800E-20 0.0061\n336.0 6.240E-20 0.0054\n338.0 5.460E-20 0.0049\n340.0 5.310E-20 0.0044\n342.0 5.100E-20 0.0039\n344.0 5.120E-20 0.0035\n346.0 5.300E-20 0.0031\n348.0 5.170E-20 0.0028\n350.0 5.940E-20 0.0025\n352.0 5.790E-20 0.0023\n354.0 4.180E-20 0.0020\n356.0 3.630E-20 0.0018\n358.0 3.280E-20 0.0016\n360.0 3.920E-20 0.0015\n362.0 3.720E-20 0.0013\n364.0 2.860E-20 0.0012\n366.0 3.740E-20 0.0010\n368.0 3.820E-20 0.0009\n370.0 2.170E-20 0.0008\n372.0 1.580E-20 0.0007\n374.0 1.140E-20 0.0007\n376.0 1.140E-20 0.0006\n378.0 1.240E-20 0.0005\n380.0 1.100E-20 0.0005\n382.0 8.400E-21 0.0004\n384.0 7.900E-21 0.0004\n386.0 1.180E-20 0.0003\n388.0 4.900E-21 0.0003\n390.0 2.500E-21 0.0003\n392.0 0.000E+00 0.0002\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/ACRO_10", "content": "ACRO-09 \n! ! Chemical Kinetics and Photochemical Data for Use in Atmospheric Studies \n! Evaluation Number 15. JPL Publication 06-2. July 10, 2006 \n! The quantum yields were derived using the pressure and wavelength-dependent \n! expression given by IUPAC (2005) for MVK, \n! with the total pressure adjusted so that the radical forming photolysis rates \n! for the chamber experiments are the same as those that fit the chamber data. \n! Adjusted pressure = 1.50 atm. \n! \nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n282.0 8.400E-21 0.1058\n284.0 9.700E-21 0.0948\n286.0 1.080E-20 0.0849\n288.0 1.230E-20 0.0761\n290.0 1.460E-20 0.0682\n292.0 1.620E-20 0.0611\n294.0 1.800E-20 0.0547\n296.0 1.970E-20 0.0490\n298.0 2.180E-20 0.0439\n300.0 2.470E-20 0.0393\n302.0 2.700E-20 0.0352\n304.0 2.850E-20 0.0316\n306.0 3.090E-20 0.0283\n308.0 3.290E-20 0.0253\n310.0 3.590E-20 0.0227\n312.0 3.920E-20 0.0203\n314.0 4.150E-20 0.0182\n316.0 4.210E-20 0.0163\n318.0 4.470E-20 0.0146\n320.0 4.650E-20 0.0131\n322.0 5.080E-20 0.0117\n324.0 5.170E-20 0.0105\n326.0 5.340E-20 0.0094\n328.0 5.200E-20 0.0084\n330.0 5.310E-20 0.0076\n332.0 5.440E-20 0.0068\n334.0 5.800E-20 0.0061\n336.0 6.240E-20 0.0054\n338.0 5.460E-20 0.0049\n340.0 5.310E-20 0.0044\n342.0 5.100E-20 0.0039\n344.0 5.120E-20 0.0035\n346.0 5.300E-20 0.0031\n348.0 5.170E-20 0.0028\n350.0 5.940E-20 0.0025\n352.0 5.790E-20 0.0023\n354.0 4.180E-20 0.0020\n356.0 3.630E-20 0.0018\n358.0 3.280E-20 0.0016\n360.0 3.920E-20 0.0015\n362.0 3.720E-20 0.0013\n364.0 2.860E-20 0.0012\n366.0 3.740E-20 0.0010\n368.0 3.820E-20 0.0009\n370.0 2.170E-20 0.0008\n372.0 1.580E-20 0.0007\n374.0 1.140E-20 0.0007\n376.0 1.140E-20 0.0006\n378.0 1.240E-20 0.0005\n380.0 1.100E-20 0.0005\n382.0 8.400E-21 0.0004\n384.0 7.900E-21 0.0004\n386.0 1.180E-20 0.0003\n388.0 4.900E-21 0.0003\n390.0 2.500E-21 0.0003\n392.0 0.000E+00 0.0002\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/AFG1", "content": "AFG1 \n! Photolysis of lumped photoreactive aromatic unsaturated dicarbonyl product. \n! Based on 31.6% BUTEDIAL and 68.4% 4OX2PEAL with QY(BUTEDIAL) = 0.723 and \n! QY(4OX2PEAL) = 1.000 \n! From h:\\mech\\saprc06\\phf.xls, \"AFG1\" sheet and based on \n! h:\\mech\\saprc06\\aroprods.xls \n! \nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n290.0 1.820E-18 1.0000\n295.0 1.740E-18 1.0000\n300.0 1.560E-18 1.0000\n305.0 1.330E-18 1.0000\n310.0 1.100E-18 1.0000\n315.0 9.300E-19 1.0000\n320.0 7.890E-19 1.0000\n325.0 6.520E-19 1.0000\n330.0 5.410E-19 1.0000\n335.0 4.580E-19 1.0000\n340.0 3.780E-19 1.0000\n345.0 3.270E-19 1.0000\n350.0 2.760E-19 1.0000\n355.0 2.440E-19 1.0000\n360.0 2.090E-19 1.0000\n365.0 1.850E-19 1.0000\n370.0 1.550E-19 1.0000\n375.0 1.410E-19 1.0000\n380.0 1.200E-19 1.0000\n385.0 1.020E-19 1.0000\n390.0 9.030E-20 1.0000\n395.0 7.760E-20 1.0000\n400.0 6.050E-20 1.0000\n405.0 6.090E-20 1.0000\n410.0 4.310E-20 1.0000\n415.0 3.130E-20 1.0000\n420.0 3.010E-20 1.0000\n425.0 2.440E-20 1.0000\n430.0 1.890E-20 1.0000\n435.0 1.440E-20 1.0000\n440.0 8.210E-21 1.0000\n445.0 4.330E-21 1.0000\n450.0 2.740E-21 1.0000\n455.0 1.830E-21 1.0000\n460.0 9.130E-22 1.0000\n465.0 4.560E-22 1.0000\n470.0 0.000E+00 1.0000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/ALD2_R_IUPAC10", "content": "ALD2_R_IUPAC10\n! j(ALD2_R) IUPAC(2010) CH3CHO \n! ALD2 = MEO2 + RO2 + CO + HO2 \n! From IUPAC Subcommittee on Gas Kinetic Data Evaluation \n! Data Sheet P2, updated 16th May, 2002 \n!These are point values \nBegining (the mechanism evaluated with this format)\n!WL(nm) XSEC(cm2) QY\nFAC=1.0\n256.0 1.759E-20 0.300\n258.0 1.994E-20 0.305\n262.0 2.440E-20 0.326\n266.0 3.050E-20 0.358\n270.0 3.420E-20 0.390\n274.0 4.030E-20 0.466\n278.0 4.190E-20 0.542\n280.0 4.500E-20 0.580\n281.0 4.690E-20 0.578\n282.0 4.720E-20 0.576\n283.0 4.750E-20 0.574\n284.0 4.610E-20 0.572\n285.0 4.490E-20 0.570\n286.0 4.440E-20 0.562\n287.0 4.590E-20 0.570\n288.0 4.720E-20 0.562\n289.0 4.770E-20 0.570\n290.0 4.890E-20 0.530\n291.0 4.780E-20 0.520\n292.0 4.680E-20 0.510\n293.0 4.530E-20 0.500\n294.0 4.330E-20 0.490\n295.0 4.270E-20 0.480\n296.0 4.240E-20 0.470\n297.0 4.380E-20 0.460\n298.0 4.410E-20 0.450\n299.0 4.260E-20 0.440\n300.0 4.160E-20 0.430\n301.0 3.990E-20 0.418\n302.0 3.860E-20 0.406\n303.0 3.720E-20 0.394\n304.0 3.480E-20 0.382\n305.0 3.420E-20 0.370\n306.0 3.420E-20 0.354\n307.0 3.360E-20 0.338\n308.0 3.330E-20 0.322\n309.0 3.140E-20 0.306\n310.0 2.930E-20 0.280\n311.0 2.760E-20 0.266\n312.0 2.530E-20 0.242\n313.0 2.470E-20 0.218\n314.0 2.440E-20 0.194\n315.0 2.200E-20 0.170\n316.0 2.040E-20 0.156\n317.0 2.070E-20 0.142\n318.0 1.980E-20 0.128\n319.0 1.870E-20 0.114\n320.0 1.720E-20 0.100\n321.0 1.480E-20 0.088\n322.0 1.400E-20 0.076\n323.0 1.240E-20 0.064\n324.0 1.090E-20 0.052\n325.0 1.140E-20 0.040\n326.0 1.070E-20 0.032\n327.0 8.580E-21 0.024\n328.0 7.470E-21 0.016\n329.0 7.070E-21 0.008\n330.0 6.670E-21 0.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/ALD2_R_IUPAC13", "content": "ALD2_R_IUPAC13\n! j(ALD2_R) IUPAC(2013) CH3CHO \n! ALD2 = MEO2 + RO2 + CO + HO2 \n! From IUPAC Subcommittee on Gas Kinetic Data Evaluation \n! Data Sheet P2, updated June, 2013\n! Lumps channela 2 and 3 in data sheet \n!These are point values \nPOINT\n!WL(nm) XSEC(cm2) QY\nFAC=1.0\n202.0 5.600E-22 0.420\n206.0 5.300E-22 0.420\n210.0 4.900E-22 0.420\n214.0 4.800E-22 0.420\n218.0 5.200E-22 0.420\n222.0 6.500E-22 0.420\n226.0 9.600E-22 0.420\n230.0 1.510E-21 0.420\n234.0 2.410E-21 0.420\n238.0 3.750E-21 0.420\n242.0 5.640E-21 0.420\n246.0 8.180E-21 0.420\n250.0 1.128E-20 0.420\n254.0 1.524E-20 0.420\n258.0 1.994E-20 0.420\n262.0 2.440E-20 0.432\n266.0 3.050E-20 0.462\n270.0 3.420E-20 0.510\n274.0 4.030E-20 0.582\n278.0 4.190E-20 0.648\n280.0 4.500E-20 0.680\n281.0 4.690E-20 0.676\n282.0 4.720E-20 0.672\n283.0 4.750E-20 0.668\n284.0 4.610E-20 0.664\n285.0 4.490E-20 0.660\n286.0 4.440E-20 0.652\n287.0 4.590E-20 0.644\n288.0 4.720E-20 0.636\n289.0 4.770E-20 0.628\n290.0 4.890E-20 0.620\n291.0 4.780E-20 0.610\n292.0 4.680E-20 0.600\n293.0 4.530E-20 0.590\n294.0 4.330E-20 0.580\n295.0 4.270E-20 0.570\n296.0 4.240E-20 0.556\n297.0 4.380E-20 0.542\n298.0 4.410E-20 0.528\n299.0 4.260E-20 0.514\n300.0 4.160E-20 0.500\n301.0 3.990E-20 0.484\n302.0 3.860E-20 0.468\n303.0 3.720E-20 0.452\n304.0 3.480E-20 0.436\n305.0 3.420E-20 0.420\n306.0 3.420E-20 0.400\n307.0 3.360E-20 0.380\n308.0 3.330E-20 0.360\n309.0 3.140E-20 0.340\n310.0 2.930E-20 0.320\n311.0 2.760E-20 0.296\n312.0 2.530E-20 0.272\n313.0 2.470E-20 0.248\n314.0 2.440E-20 0.224\n315.0 2.200E-20 0.200\n316.0 2.040E-20 0.180\n317.0 2.070E-20 0.160\n318.0 1.979E-20 0.140\n319.0 1.874E-20 0.120\n320.0 1.723E-20 0.100\n321.0 1.484E-20 0.088\n322.0 1.402E-20 0.076\n323.0 1.244E-20 0.064\n324.0 1.091E-20 0.052\n325.0 1.136E-20 0.040\n326.0 1.074E-20 0.034\n327.0 8.580E-21 0.028\n328.0 7.470E-21 0.022\n329.0 7.070E-21 0.016\n330.0 6.880E-21 0.010\n331.0 5.880E-21 0.008\n332.0 5.300E-21 0.006\n333.0 3.980E-21 0.004\n334.0 3.630E-21 0.002\n335.0 3.500E-21 0.000\n336.0 2.380E-21 0.000\n337.0 2.220E-21 0.000\n338.0 2.050E-21 0.000\n339.0 2.190E-21 0.000\n340.0 1.500E-21 0.000\n341.0 7.400E-22 0.000\n342.0 4.200E-22 0.000\n343.0 3.100E-22 0.000\n344.0 2.600E-22 0.000\n345.0 2.100E-22 0.000\n346.0 1.900E-22 0.000\n347.0 1.500E-22 0.000\n348.0 1.600E-22 0.000\n349.0 1.000E-22 0.000\n350.0 8.000E-23 0.000\n351.0 7.000E-23 0.000\n352.0 6.000E-23 0.000\n353.0 5.000E-23 0.000\n354.0 5.000E-23 0.000\n355.0 4.000E-23 0.000\n356.0 5.000E-23 0.000\n357.0 3.000E-23 0.000\n358.0 4.000E-23 0.000\n359.0 2.000E-23 0.000\n360.0 3.000E-23 0.000\n361.0 2.000E-23 0.000\n362.0 1.000E-23 0.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/ALDX_R_IUPAC10", "content": "ALDX_R_IUPAC10\n! j(ALDX_R) IUPAC(2010)/SAPRC99 CH3CH2CHO \n! ALDX = MEO2 + RO2 + CO + HO2 \n! From IUPAC Subcommittee on Gas Kinetic Data Evaluation \n! Data Sheet P3, updated 16th May, 2002 \n!These are point values \nBegining (the mechanism evaluated with this format)\n!WL(nm) XSEC(cm2) QY\nFAC=1.0\n294.0 5.800E-20 0.890\n295.0 5.570E-20 0.885\n296.0 5.370E-20 0.880\n297.0 5.160E-20 0.875\n298.0 5.020E-20 0.870\n299.0 5.020E-20 0.865\n300.0 5.040E-20 0.860\n301.0 5.090E-20 0.855\n302.0 5.070E-20 0.850\n303.0 4.940E-20 0.818\n304.0 4.690E-20 0.786\n305.0 4.320E-20 0.755\n306.0 4.040E-20 0.723\n307.0 3.810E-20 0.691\n308.0 3.650E-20 0.659\n309.0 3.620E-20 0.627\n310.0 3.600E-20 0.596\n311.0 3.530E-20 0.564\n312.0 3.500E-20 0.532\n313.0 3.320E-20 0.500\n314.0 3.060E-20 0.480\n315.0 2.770E-20 0.460\n316.0 2.430E-20 0.440\n317.0 2.180E-20 0.420\n318.0 2.000E-20 0.400\n319.0 1.860E-20 0.380\n320.0 1.830E-20 0.360\n321.0 1.780E-20 0.340\n322.0 1.660E-20 0.320\n323.0 1.580E-20 0.300\n324.0 1.490E-20 0.280\n325.0 1.300E-20 0.260\n326.0 1.130E-20 0.248\n327.0 9.960E-21 0.236\n328.0 8.280E-21 0.223\n329.0 6.850E-21 0.211\n330.0 5.750E-21 0.199\n331.0 4.940E-21 0.187\n332.0 4.660E-21 0.174\n333.0 4.300E-21 0.162\n334.0 3.730E-21 0.150\n335.0 3.250E-21 0.133\n336.0 2.800E-21 0.117\n337.0 2.300E-21 0.100\n338.0 1.850E-21 0.083\n339.0 1.660E-21 0.067\n340.0 1.550E-21 0.050\n341.0 1.190E-21 0.033\n342.0 7.600E-22 0.017\n343.0 4.500E-22 0.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/ALDX_R_IUPAC13", "content": "ALDX_R_IUPAC13\n! j(ALDX_R) IUPAC(2010)\n! ALDX = MEO2 + RO2 + CO + HO2\n! From IUPAC Subcommittee on Gas Kinetic Data Evaluation\n! Data Sheet P24, updated June, 2010\n!These are point values\nPOINTS\n!WL(nm) XSEC(cm2) QY\nFAC=1.0 \n280.0 5.120E-20 0.310\n281.0 5.210E-20 0.348\n282.0 5.290E-20 0.386\n283.0 5.380E-20 0.424\n284.0 5.470E-20 0.462\n285.0 5.560E-20 0.500\n286.0 5.640E-20 0.542\n287.0 5.730E-20 0.584\n288.0 5.790E-20 0.626\n289.0 5.850E-20 0.668\n290.0 5.870E-20 0.710\n291.0 5.840E-20 0.750\n292.0 5.840E-20 0.790\n293.0 5.880E-20 0.830\n294.0 5.920E-20 0.870\n295.0 5.940E-20 0.910\n296.0 5.860E-20 0.928\n297.0 5.780E-20 0.946\n298.0 5.730E-20 0.964\n299.0 5.690E-20 0.982\n300.0 5.590E-20 1.000\n301.0 5.480E-20 1.000\n302.0 5.430E-20 1.000\n303.0 5.360E-20 1.000\n304.0 5.290E-20 1.000\n305.0 5.150E-20 1.000\n306.0 4.980E-20 1.000\n307.0 4.730E-20 1.000\n308.0 4.570E-20 1.000\n309.0 4.410E-20 1.000\n310.0 4.270E-20 1.000\n311.0 4.130E-20 1.000\n312.0 3.990E-20 1.000\n313.0 3.860E-20 1.000\n314.0 3.730E-20 1.000\n315.0 3.610E-20 1.000\n316.0 3.480E-20 1.000\n317.0 3.260E-20 1.000\n318.0 2.820E-20 1.000\n319.0 2.600E-20 1.000\n320.0 2.410E-20 1.000\n321.0 2.280E-20 1.000\n322.0 2.175E-20 1.000\n323.0 2.076E-20 1.000\n324.0 1.951E-20 1.000\n325.0 1.842E-20 1.000\n326.0 1.710E-20 0.988\n327.0 1.584E-20 0.976\n328.0 1.397E-20 0.964\n329.0 1.195E-20 0.952\n330.0 9.500E-21 0.940\n331.0 7.850E-21 0.878\n332.0 6.720E-21 0.815\n333.0 5.670E-21 0.753\n334.0 4.900E-21 0.690\n335.0 4.250E-21 0.627\n336.0 3.570E-21 0.564\n337.0 2.970E-21 0.501\n338.0 2.570E-21 0.438\n339.0 2.150E-21 0.375\n340.0 1.730E-21 0.312\n341.0 1.470E-21 0.249\n342.0 1.230E-21 0.186\n343.0 8.100E-22 0.123\n344.0 5.900E-22 0.060\n345.0 3.400E-22 0.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/ALD_CBIV88", "content": "ALD_CBIV88\n! Acetaldehyde Photolysis (ALD)\n! CH3CHO + hv (+2O2)-> CH3OO + HO2 + CO\n! Taken from Gery et al. (1988); Absorption CS and QY from Baulch et al. (1984).\n! format: wl, abs_cs, qy\nCentered\n! With FAC, units are (cm^2/molecule)\nFAC=1.0E-20\n 256 1.76 0.300\n 258 1.99 0.305\n 262 2.44 0.326\n 266 3.05 0.358\n 270 3.42 0.390\n 274 4.03 0.466\n 278 4.19 0.542\n 280 4.50 0.580\n 281 4.54 0.575\n 282 4.58 0.570\n 283 4.62 0.565\n 284 4.66 0.560\n 285 4.70 0.555\n 286 4.74 0.550\n 287 4.78 0.545\n 288 4.82 0.540\n 289 4.86 0.535\n 290 4.90 0.530\n 291 4.82 0.520\n 292 4.74 0.510\n 293 4.66 0.500\n 294 4.58 0.490\n 295 4.50 0.480\n 296 4.46 0.470\n 297 4.42 0.460\n 298 4.38 0.450\n 299 4.34 0.440\n 300 4.30 0.430\n 301 4.12 0.418\n 302 3.94 0.406\n 303 3.76 0.394\n 304 3.58 0.382\n 305 3.40 0.370\n 306 3.27 0.350\n 307 3.14 0.330\n 308 3.01 0.310\n 309 2.88 0.290\n 310 2.75 0.270\n 311 2.62 0.250\n 312 2.49 0.230\n 313 2.36 0.210\n 314 2.23 0.190\n 315 2.10 0.170\n 316 2.04 0.156\n 317 1.98 0.142\n 318 1.92 0.128\n 319 1.86 0.114\n 320 1.80 0.100\n 321 1.66 0.088\n 322 1.52 0.076\n 323 1.38 0.064\n 324 1.24 0.052\n 325 1.10 0.040\n 326 1.18 0.032\n 327 0.94 0.024\n 328 0.85 0.016\n 329 0.77 0.008\n 330 0.69 0.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/ALD_JPL19", "content": "ALD_JPL19\n! ALD + HV = HO2 + ETHP + CO \n! Absorption cross sections for propionaldehyde from NASA JPL 2019 evaluation, Table 4D-4\n! J. B. Burkholder, S. P. Sander, J. Abbatt, J. R. Barker, C. Cappa, J. D. Crounse, T. S. Dibble, R. E. Huie, C. E. Kolb,\n! M. J. Kurylo, V. L. Orkin, C. J. Percival, D. M. Wilmouth, and P. H. Wine \"Chemical Kinetics and Photochemical\n! Data for Use in Atmospheric Studies, Evaluation No. 19,\" JPL Publication 19-5, Jet Propulsion Laboratory, Pasadena,\n! 2019 http://jpldataeval.jpl.nasa.gov.\n! Quantum yield are fit from Heicklen et al. (1986) and IUPAC P3 datasheet (updated 16th May 2002)\n! Supplied by Drs. William Stockwell and Emily Saunders, reformatted by Dr. Golam Sarwar to make it compatible with CMAQ\nPoints \n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n202\t4.90E-22\t0.000\n206\t4.90E-22\t0.000\n210\t5.70E-22\t0.000\n214\t6.90E-22\t0.000\n218\t8.00E-22\t0.000\n222\t9.10E-22\t0.000\n226\t1.15E-21\t0.000\n230\t1.63E-21\t0.000\n234\t2.57E-21\t0.000\n238\t4.07E-21\t0.000\n242\t6.22E-21\t0.000\n246\t9.09E-21\t0.000\n250\t1.29E-20\t0.152\n254\t1.75E-20\t0.222\n258\t2.25E-20\t0.316\n262\t2.88E-20\t0.412\n266\t3.43E-20\t0.508\n270\t4.12E-20\t0.604\n274\t4.59E-20\t0.700\n278\t5.17E-20\t0.797\n280\t5.16E-20\t0.839\n281\t5.21E-20\t0.856\n282\t5.35E-20\t0.870\n283\t5.57E-20\t0.880\n284\t5.78E-20\t0.890\n285\t5.86E-20\t0.900\n286\t5.82E-20\t0.910\n287\t5.72E-20\t0.920\n288\t5.59E-20\t0.930\n289\t5.52E-20\t0.935\n290\t5.56E-20\t0.935\n291\t5.68E-20\t0.930\n292\t5.81E-20\t0.920\n293\t5.88E-20\t0.904\n294\t5.80E-20\t0.887\n295\t5.57E-20\t0.868\n296\t5.37E-20\t0.848\n297\t5.16E-20\t0.828\n298\t5.02E-20\t0.807\n299\t5.02E-20\t0.786\n300\t5.04E-20\t0.765\n301\t5.09E-20\t0.744\n302\t5.07E-20\t0.724\n303\t4.94E-20\t0.703\n304\t4.69E-20\t0.682\n305\t4.32E-20\t0.661\n306\t4.04E-20\t0.640\n307\t3.81E-20\t0.620\n308\t3.65E-20\t0.599\n309\t3.62E-20\t0.578\n310\t3.60E-20\t0.557\n311\t3.53E-20\t0.536\n312\t3.50E-20\t0.516\n313\t3.32E-20\t0.495\n314\t3.06E-20\t0.474\n315\t2.77E-20\t0.453\n316\t2.43E-20\t0.432\n317\t2.18E-20\t0.412\n318\t2.00E-20\t0.391\n319\t1.86E-20\t0.370\n320\t1.83E-20\t0.349\n321\t1.78E-20\t0.328\n322\t1.66E-20\t0.308\n323\t1.58E-20\t0.290\n324\t1.49E-20\t0.273\n325\t1.30E-20\t0.259\n326\t1.13E-20\t0.246\n327\t9.96E-21\t0.235\n328\t8.28E-21\t0.223\n329\t6.85E-21\t0.211\n330\t5.75E-21\t0.199\n331\t4.94E-21\t0.187\n332\t4.66E-21\t0.174\n333\t4.30E-21\t0.163\n334\t3.73E-21\t0.152\n335\t3.25E-21\t0.142\n336\t2.80E-21\t0.133\n337\t2.30E-21\t0.125\n338\t1.85E-21\t0.117\n339\t1.66E-21\t0.108\n340\t1.55E-21\t0.099\n341\t1.19E-21\t0.090\n342\t7.60E-22\t0.080\n343\t4.50E-22\t0.070\n344\t3.10E-22\t0.060\n345\t2.50E-22\t0.050\n346\t1.90E-22\t0.040\n347\t1.60E-22\t0.030\n348\t1.40E-22\t0.020\n349\t1.30E-22\t0.012\n350\t1.00E-22\t0.000\n351\t8.00E-23\t0.000\n352\t7.00E-23\t0.000\n353\t5.00E-23\t0.000\n354\t4.00E-23\t0.000\n355\t2.00E-23\t0.000\n356\t1.00E-23\t0.000\n357\t1.00E-23\t0.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/ALD_RACM2", "content": "ALD_RACM2 \n! ALD + HV = HO2 + ETHP + CO \n! Absorption x-section from NASA - 2006 \n! Quantum yield from Heicklen - 1986 \n! Supplied by Dr. Wendy Goliff, reformatted by Dr. Golam Sarwar to make it compatible with CMAQ\nPoints \n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n186.1 0.000E+00 0.000\n187.8 0.000E+00 0.000\n189.6 0.000E+00 0.000\n191.4 0.000E+00 0.000\n193.3 0.000E+00 0.000\n195.2 0.000E+00 0.000\n197.1 0.000E+00 0.000\n199.0 0.000E+00 0.000\n201.0 0.000E+00 0.000\n203.1 0.490E-21 0.000\n205.2 0.490E-21 0.000\n207.3 0.510E-21 0.000\n209.4 0.550E-21 0.000\n211.7 0.630E-21 0.000\n213.9 0.690E-21 0.000\n216.2 0.750E-21 0.000\n218.6 0.800E-21 0.000\n221.0 0.880E-21 0.000\n223.5 0.103E-21 0.000\n226.0 0.115E-20 0.000\n228.6 0.151E-20 0.000\n231.3 0.187E-20 0.000\n234.0 0.257E-20 0.000\n236.7 0.370E-20 0.000\n239.6 0.514E-20 0.000\n242.5 0.622E-20 0.000\n245.4 0.837E-20 0.000\n248.5 0.189E-19 0.000\n251.6 0.152E-19 0.000\n254.8 0.187E-19 0.000\n258.2 0.225E-19 0.000\n261.5 0.288E-19 0.890\n265.0 0.329E-19 0.890\n268.5 0.378E-19 0.890\n272.2 0.436E-19 0.890\n275.9 0.488E-19 0.890\n279.8 0.516E-19 0.890\n283.7 0.578E-19 0.890\n287.8 0.559E-19 0.890\n292.0 0.581E-19 0.890\n296.3 0.537E-19 0.883\n300.5 0.504E-19 0.867\n303.0 0.494E-19 0.826\n304.0 0.469E-19 0.798\n305.0 0.432E-19 0.766\n306.0 0.404E-19 0.732\n307.0 0.381E-19 0.697\n308.0 0.365E-19 0.660\n309.0 0.362E-19 0.625\n310.0 0.360E-19 0.591\n311.0 0.353E-19 0.558\n312.0 0.350E-19 0.527\n313.0 0.332E-19 0.500\n314.0 0.306E-19 0.475\n316.0 0.243E-19 0.429\n320.0 0.183E-19 0.348\n325.0 0.130E-19 0.260\n330.0 0.575E-20 0.194\n335.0 0.325E-20 0.000\n340.0 0.155E-20 0.000\n345.0 0.250E-21 0.000\n350.0 0.100E-21 0.000\n355.0 0.200E-22 0.000\n360.0 0.000E+00 0.000\n365.0 0.000E+00 0.000\n370.0 0.000E+00 0.000\n375.0 0.000E+00 0.000\n380.0 0.000E+00 0.000\n385.0 0.000E+00 0.000\n390.0 0.000E+00 0.000\n395.0 0.000E+00 0.000\n400.0 0.000E+00 0.000\n405.0 0.000E+00 0.000\n410.0 0.000E+00 0.000\n415.0 0.000E+00 0.000\n420.0 0.000E+00 0.000\n425.0 0.000E+00 0.000\n430.0 0.000E+00 0.000\n435.0 0.000E+00 0.000\n440.0 0.000E+00 0.000\n445.0 0.000E+00 0.000\n450.0 0.000E+00 0.000\n455.0 0.000E+00 0.000\n460.0 0.000E+00 0.000\n465.0 0.000E+00 0.000\n470.0 0.000E+00 0.000\n475.0 0.000E+00 0.000\n480.0 0.000E+00 0.000\n485.0 0.000E+00 0.000\n490.0 0.000E+00 0.000\n495.0 0.000E+00 0.000\n500.0 0.000E+00 0.000\n505.0 0.000E+00 0.000\n510.0 0.000E+00 0.000\n515.0 0.000E+00 0.000\n520.0 0.000E+00 0.000\n525.0 0.000E+00 0.000\n530.0 0.000E+00 0.000\n535.0 0.000E+00 0.000\n540.0 0.000E+00 0.000\n545.0 0.000E+00 0.000\n550.0 0.000E+00 0.000\n555.0 0.000E+00 0.000\n560.0 0.000E+00 0.000\n565.0 0.000E+00 0.000\n570.0 0.000E+00 0.000\n575.0 0.000E+00 0.000\n580.0 0.000E+00 0.000\n585.0 0.000E+00 0.000\n590.0 0.000E+00 0.000\n595.0 0.000E+00 0.000\n600.0 0.000E+00 0.000\n605.0 0.000E+00 0.000\n610.0 0.000E+00 0.000\n615.0 0.000E+00 0.000\n620.0 0.000E+00 0.000\n625.0 0.000E+00 0.000\n630.0 0.000E+00 0.000\n635.0 0.000E+00 0.000\n640.0 0.000E+00 0.000\n644.8 0.000E+00 0.000\n651.0 0.000E+00 0.000\n660.0 0.000E+00 0.000\n670.0 0.000E+00 0.000\n680.0 0.000E+00 0.000\n690.0 0.000E+00 0.000\n700.0 0.000E+00 0.000\n710.0 0.000E+00 0.000\n720.0 0.000E+00 0.000\n730.0 0.000E+00 0.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/ALD_RADM88", "content": "ALD_RADM88\n! Acetaldehyde Photolysis (ALD)\n! CH3CHO + hv (+2O2)-> CH3OO + HO2 + CO\n! Absorption CS from avg of Calvert and Pitts (1966) and Meyrahn (1984);\n! QY from Meyrahn et al. (1981)\n! format: wl, abs_cs, qy\nBeginning\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n 206.186 2.957E-21 0.000E+00\n 208.333 2.176E-21 0.000E+00\n 210.526 2.410E-21 0.000E+00\n 212.766 1.519E-21 0.000E+00\n 215.054 6.961E-22 0.000E+00\n 217.391 3.801E-22 0.000E+00\n 219.780 1.537E-22 0.000E+00\n 222.222 1.412E-22 0.000E+00\n 224.719 2.429E-22 0.000E+00\n 227.273 5.560E-22 0.000E+00\n 229.885 1.140E-21 0.000E+00\n 232.558 2.138E-21 0.000E+00\n 235.294 3.192E-21 0.000E+00\n 238.095 4.428E-21 0.000E+00\n 240.964 5.980E-21 0.000E+00\n 243.902 7.759E-21 0.000E+00\n 246.914 1.000E-20 0.000E+00\n 250.000 1.277E-20 0.000E+00\n 253.165 1.613E-20 0.000E+00\n 256.410 2.014E-20 0.000E+00\n 259.740 2.381E-20 0.000E+00\n 263.158 2.822E-20 3.493E-01\n 266.667 3.245E-20 3.779E-01\n 270.270 3.683E-20 4.303E-01\n 273.973 4.007E-20 5.016E-01\n 277.778 4.342E-20 5.662E-01\n 281.690 4.498E-20 5.615E-01\n 285.714 4.548E-20 5.411E-01\n 289.855 4.434E-20 5.121E-01\n 294.118 4.217E-20 4.732E-01\n 298.500 3.904E-20 4.300E-01\n 302.500 3.542E-20 3.920E-01\n 303.500 3.407E-20 3.760E-01\n 304.500 3.339E-20 3.600E-01\n 305.500 3.268E-20 3.440E-01\n 306.500 3.195E-20 3.280E-01\n 307.500 3.113E-20 3.120E-01\n 308.500 2.968E-20 2.960E-01\n 309.500 2.813E-20 2.798E-01\n 310.500 2.657E-20 2.625E-01\n 311.500 2.502E-20 2.450E-01\n 312.500 2.355E-20 2.275E-01\n 313.500 2.251E-20 2.100E-01\n 314.500 2.048E-20 1.750E-01\n 317.500 1.566E-20 1.093E-01\n 322.500 1.092E-20 5.188E-02\n 327.500 6.427E-21 6.266E-03\n 332.500 2.787E-21 0.000E+00\n 337.500 9.063E-22 0.000E+00\n 342.500 3.280E-22 0.000E+00\n 347.500 4.022E-23 0.000E+00\n 352.500 0.000E+00 0.000E+00\n\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/BACL-07", "content": "BACL-07 \n! CH3COCOCH3 + HV = 2 CH3CO. \n! Absorption cross sections from Plum et al (1983) as used in SAPRC-99 \n! mechanism. Quantum yields calculated using the IUPAC (2005)-recommended \n! expression for the pressure and wavelength-dependence quantum yields for \n! methyl glyoxal, but with the effective presssure adjusted so the \n! photolysis rate, relative to that for NO2, under ambient conditions is \n! consistent with that measured by Klotz et al (2000) in the Euphore outdoor \n! chamber. \n! \nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n280.0 4.440E-20 0.9960\n283.0 4.330E-20 0.9950\n285.0 3.900E-20 0.9940\n288.0 3.570E-20 0.9930\n290.0 3.250E-20 0.9920\n293.0 2.920E-20 0.9910\n295.0 2.600E-20 0.9890\n298.0 2.160E-20 0.9870\n300.0 1.790E-20 0.9850\n303.0 1.730E-20 0.9820\n305.0 1.460E-20 0.9800\n308.0 1.080E-20 0.9760\n310.0 9.200E-21 0.9730\n313.0 7.030E-21 0.9680\n315.0 6.490E-21 0.9640\n318.0 5.410E-21 0.9580\n320.0 5.410E-21 0.9530\n323.0 5.410E-21 0.9460\n325.0 4.330E-21 0.9390\n328.0 3.250E-21 0.9310\n330.0 3.790E-21 0.9220\n333.0 3.790E-21 0.9120\n335.0 4.330E-21 0.9010\n338.0 4.870E-21 0.8900\n340.0 5.410E-21 0.8770\n343.0 5.950E-21 0.8630\n345.0 6.490E-21 0.8490\n348.0 7.030E-21 0.8330\n350.0 8.120E-21 0.8160\n353.0 7.570E-21 0.7980\n355.0 9.200E-21 0.7800\n358.0 9.740E-21 0.7600\n360.0 1.080E-20 0.7390\n363.0 1.190E-20 0.7180\n365.0 1.410E-20 0.6960\n368.0 1.510E-20 0.6730\n370.0 1.790E-20 0.6500\n373.0 2.000E-20 0.6260\n375.0 2.110E-20 0.6030\n378.0 2.330E-20 0.5780\n380.0 2.600E-20 0.5540\n383.0 2.810E-20 0.5300\n385.0 3.140E-20 0.4960\n388.0 3.460E-20 0.4510\n390.0 3.900E-20 0.4100\n393.0 4.110E-20 0.3740\n395.0 4.330E-20 0.3410\n398.0 4.380E-20 0.3120\n400.0 4.650E-20 0.2850\n403.0 4.810E-20 0.2610\n405.0 5.190E-20 0.2400\n408.0 5.840E-20 0.2200\n410.0 6.060E-20 0.2020\n413.0 6.490E-20 0.1860\n415.0 6.920E-20 0.1710\n418.0 6.870E-20 0.1580\n420.0 6.820E-20 0.1450\n423.0 6.710E-20 0.1340\n425.0 6.490E-20 0.1240\n428.0 5.950E-20 0.1150\n430.0 5.730E-20 0.1060\n433.0 6.280E-20 0.0980\n435.0 6.010E-20 0.0910\n438.0 5.840E-20 0.0850\n440.0 5.950E-20 0.0790\n443.0 6.490E-20 0.0730\n445.0 5.950E-20 0.0680\n448.0 4.980E-20 0.0630\n450.0 3.790E-20 0.0590\n453.0 2.810E-20 0.0550\n455.0 1.730E-20 0.0510\n458.0 1.080E-20 0.0480\n460.0 5.410E-21 0.0450\n463.0 3.790E-21 0.0420\n465.0 2.160E-21 0.0390\n468.0 1.080E-21 0.0370\n470.0 1.080E-21 0.0350\n473.0 0.000E+00 0.0320\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/BACL_07", "content": "BACL-07 \n! CH3COCOCH3 + HV = 2 CH3CO. \n! Absorption cross sections from Plum et al (1983) as used in SAPRC-99 \n! mechanism. Quantum yields calculated using the IUPAC (2005)-recommended \n! expression for the pressure and wavelength-dependence quantum yields for \n! methyl glyoxal, but with the effective presssure adjusted so the \n! photolysis rate, relative to that for NO2, under ambient conditions is \n! consistent with that measured by Klotz et al (2000) in the Euphore outdoor \n! chamber. \n! \nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n280.0 4.440E-20 0.9960\n283.0 4.330E-20 0.9950\n285.0 3.900E-20 0.9940\n288.0 3.570E-20 0.9930\n290.0 3.250E-20 0.9920\n293.0 2.920E-20 0.9910\n295.0 2.600E-20 0.9890\n298.0 2.160E-20 0.9870\n300.0 1.790E-20 0.9850\n303.0 1.730E-20 0.9820\n305.0 1.460E-20 0.9800\n308.0 1.080E-20 0.9760\n310.0 9.200E-21 0.9730\n313.0 7.030E-21 0.9680\n315.0 6.490E-21 0.9640\n318.0 5.410E-21 0.9580\n320.0 5.410E-21 0.9530\n323.0 5.410E-21 0.9460\n325.0 4.330E-21 0.9390\n328.0 3.250E-21 0.9310\n330.0 3.790E-21 0.9220\n333.0 3.790E-21 0.9120\n335.0 4.330E-21 0.9010\n338.0 4.870E-21 0.8900\n340.0 5.410E-21 0.8770\n343.0 5.950E-21 0.8630\n345.0 6.490E-21 0.8490\n348.0 7.030E-21 0.8330\n350.0 8.120E-21 0.8160\n353.0 7.570E-21 0.7980\n355.0 9.200E-21 0.7800\n358.0 9.740E-21 0.7600\n360.0 1.080E-20 0.7390\n363.0 1.190E-20 0.7180\n365.0 1.410E-20 0.6960\n368.0 1.510E-20 0.6730\n370.0 1.790E-20 0.6500\n373.0 2.000E-20 0.6260\n375.0 2.110E-20 0.6030\n378.0 2.330E-20 0.5780\n380.0 2.600E-20 0.5540\n383.0 2.810E-20 0.5300\n385.0 3.140E-20 0.4960\n388.0 3.460E-20 0.4510\n390.0 3.900E-20 0.4100\n393.0 4.110E-20 0.3740\n395.0 4.330E-20 0.3410\n398.0 4.380E-20 0.3120\n400.0 4.650E-20 0.2850\n403.0 4.810E-20 0.2610\n405.0 5.190E-20 0.2400\n408.0 5.840E-20 0.2200\n410.0 6.060E-20 0.2020\n413.0 6.490E-20 0.1860\n415.0 6.920E-20 0.1710\n418.0 6.870E-20 0.1580\n420.0 6.820E-20 0.1450\n423.0 6.710E-20 0.1340\n425.0 6.490E-20 0.1240\n428.0 5.950E-20 0.1150\n430.0 5.730E-20 0.1060\n433.0 6.280E-20 0.0980\n435.0 6.010E-20 0.0910\n438.0 5.840E-20 0.0850\n440.0 5.950E-20 0.0790\n443.0 6.490E-20 0.0730\n445.0 5.950E-20 0.0680\n448.0 4.980E-20 0.0630\n450.0 3.790E-20 0.0590\n453.0 2.810E-20 0.0550\n455.0 1.730E-20 0.0510\n458.0 1.080E-20 0.0480\n460.0 5.410E-21 0.0450\n463.0 3.790E-21 0.0420\n465.0 2.160E-21 0.0390\n468.0 1.080E-21 0.0370\n470.0 1.080E-21 0.0350\n473.0 0.000E+00 0.0320\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/BACL_ADJ_SAPRC99", "content": "BACL_ADJ\n! BACL + HV = PRODUCTS\n! SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\n! Created from PhotDat.xls on 29-Jan-2000 10:07\nPoints (the mechanism was evaluated assuming this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n230.0 1.300E-20 1.000\n232.5 1.460E-20 1.000\n235.0 1.680E-20 1.000\n237.5 1.840E-20 1.000\n240.0 2.160E-20 1.000\n242.5 2.490E-20 1.000\n245.0 2.650E-20 1.000\n247.5 2.710E-20 1.000\n250.0 3.030E-20 1.000\n252.5 3.460E-20 1.000\n255.0 3.460E-20 1.000\n257.5 3.570E-20 1.000\n260.0 3.950E-20 1.000\n262.5 4.170E-20 1.000\n265.0 4.170E-20 1.000\n267.5 4.220E-20 1.000\n270.0 4.600E-20 1.000\n272.5 4.540E-20 1.000\n275.0 4.330E-20 1.000\n277.5 4.220E-20 1.000\n280.0 4.440E-20 1.000\n282.5 4.330E-20 1.000\n285.0 3.900E-20 1.000\n287.5 3.570E-20 1.000\n290.0 3.250E-20 1.000\n292.5 2.920E-20 1.000\n295.0 2.600E-20 1.000\n297.5 2.160E-20 1.000\n300.0 1.790E-20 1.000\n302.5 1.730E-20 1.000\n305.0 1.460E-20 1.000\n307.5 1.080E-20 1.000\n310.0 9.200E-21 1.000\n312.5 7.030E-21 1.000\n315.0 6.490E-21 1.000\n317.5 5.410E-21 1.000\n320.0 5.410E-21 1.000\n322.5 5.410E-21 1.000\n325.0 4.330E-21 1.000\n327.5 3.250E-21 1.000\n330.0 3.790E-21 1.000\n332.5 3.790E-21 1.000\n335.0 4.330E-21 1.000\n337.5 4.870E-21 1.000\n340.0 5.410E-21 1.000\n342.5 5.950E-21 1.000\n345.0 6.490E-21 1.000\n347.5 7.030E-21 1.000\n350.0 8.120E-21 0.995\n352.5 7.570E-21 0.960\n355.0 9.200E-21 0.925\n357.5 9.740E-21 0.890\n360.0 1.080E-20 0.855\n362.5 1.190E-20 0.820\n365.0 1.410E-20 0.785\n367.5 1.510E-20 0.750\n370.0 1.790E-20 0.715\n372.5 2.000E-20 0.680\n375.0 2.110E-20 0.645\n377.5 2.330E-20 0.610\n380.0 2.600E-20 0.575\n382.5 2.810E-20 0.540\n385.0 3.140E-20 0.505\n387.5 3.460E-20 0.470\n390.0 3.900E-20 0.435\n392.5 4.110E-20 0.399\n395.0 4.330E-20 0.364\n397.5 4.380E-20 0.329\n400.0 4.650E-20 0.294\n402.5 4.810E-20 0.259\n405.0 5.190E-20 0.224\n407.5 5.840E-20 0.189\n410.0 6.060E-20 0.154\n412.5 6.490E-20 0.119\n415.0 6.920E-20 0.084\n417.5 6.870E-20 0.049\n420.0 6.820E-20 0.014\n422.5 6.710E-20 0.000\n425.0 6.490E-20 0.000\n427.5 5.950E-20 0.000\n430.0 5.730E-20 0.000\n432.5 6.280E-20 0.000\n435.0 6.010E-20 0.000\n437.5 5.840E-20 0.000\n440.0 5.950E-20 0.000\n442.5 6.490E-20 0.000\n445.0 5.950E-20 0.000\n447.5 4.980E-20 0.000\n450.0 3.790E-20 0.000\n452.5 2.810E-20 0.000\n455.0 1.730E-20 0.000\n457.5 1.080E-20 0.000\n460.0 5.410E-21 0.000\n462.5 3.790E-21 0.000\n465.0 2.160E-21 0.000\n467.5 1.080E-21 0.000\n470.0 1.080E-21 0.000\n472.5 0.000E+00 0.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/BALD-06", "content": "BALD-06 \n! Benzaldehyde absorption cross sections recommended by Calvert et al (2002) \n! From Lang (1961-1971) in hexane solution \n! \nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n280.0 3.491E-18 1.0000\n281.0 3.267E-18 1.0000\n282.0 3.131E-18 1.0000\n283.0 2.705E-18 1.0000\n284.0 2.656E-18 1.0000\n285.0 2.643E-18 1.0000\n286.0 2.569E-18 1.0000\n287.0 2.599E-18 1.0000\n288.0 2.810E-18 1.0000\n289.0 2.400E-18 1.0000\n290.0 1.998E-18 1.0000\n291.0 1.410E-18 1.0000\n292.0 8.250E-19 1.0000\n293.0 6.120E-19 1.0000\n294.0 3.990E-19 1.0000\n295.0 2.780E-19 1.0000\n296.0 1.570E-19 1.0000\n297.0 1.340E-19 1.0000\n298.0 1.100E-19 1.0000\n299.0 9.200E-20 1.0000\n300.0 7.400E-20 1.0000\n301.0 6.900E-20 1.0000\n302.0 6.500E-20 1.0000\n303.0 6.600E-20 1.0000\n304.0 6.800E-20 1.0000\n305.0 7.100E-20 1.0000\n306.0 7.300E-20 1.0000\n307.0 7.400E-20 1.0000\n308.0 7.400E-20 1.0000\n309.0 7.300E-20 1.0000\n310.0 7.200E-20 1.0000\n311.0 6.800E-20 1.0000\n312.0 6.800E-20 1.0000\n313.0 7.000E-20 1.0000\n314.0 8.100E-20 1.0000\n315.0 8.900E-20 1.0000\n316.0 9.200E-20 1.0000\n317.0 9.300E-20 1.0000\n318.0 9.100E-20 1.0000\n319.0 8.700E-20 1.0000\n320.0 8.600E-20 1.0000\n321.0 8.400E-20 1.0000\n322.0 8.500E-20 1.0000\n323.0 8.900E-20 1.0000\n324.0 9.100E-20 1.0000\n325.0 9.700E-20 1.0000\n326.0 1.000E-19 1.0000\n327.0 1.000E-19 1.0000\n328.0 1.000E-19 1.0000\n329.0 1.000E-19 1.0000\n330.0 9.300E-20 1.0000\n331.0 9.000E-20 1.0000\n332.0 8.700E-20 1.0000\n333.0 8.500E-20 1.0000\n334.0 8.600E-20 1.0000\n335.0 8.900E-20 1.0000\n336.0 9.300E-20 1.0000\n337.0 9.700E-20 1.0000\n338.0 1.010E-19 1.0000\n339.0 1.040E-19 1.0000\n340.0 1.000E-19 1.0000\n341.0 9.400E-20 1.0000\n342.0 8.600E-20 1.0000\n343.0 8.300E-20 1.0000\n344.0 7.900E-20 1.0000\n345.0 7.400E-20 1.0000\n346.0 7.000E-20 1.0000\n347.0 6.500E-20 1.0000\n348.0 6.100E-20 1.0000\n349.0 6.100E-20 1.0000\n350.0 6.300E-20 1.0000\n351.0 7.000E-20 1.0000\n352.0 7.600E-20 1.0000\n353.0 8.300E-20 1.0000\n354.0 8.400E-20 1.0000\n355.0 7.300E-20 1.0000\n356.0 6.200E-20 1.0000\n357.0 5.500E-20 1.0000\n358.0 4.800E-20 1.0000\n359.0 4.100E-20 1.0000\n360.0 3.300E-20 1.0000\n361.0 3.100E-20 1.0000\n362.0 2.900E-20 1.0000\n363.0 2.600E-20 1.0000\n364.0 2.400E-20 1.0000\n365.0 2.400E-20 1.0000\n366.0 2.500E-20 1.0000\n367.0 2.700E-20 1.0000\n368.0 2.900E-20 1.0000\n369.0 3.300E-20 1.0000\n370.0 3.600E-20 1.0000\n371.0 4.000E-20 1.0000\n372.0 3.300E-20 1.0000\n373.0 2.300E-20 1.0000\n374.0 1.400E-20 1.0000\n375.0 9.900E-21 1.0000\n376.0 6.100E-21 1.0000\n377.0 4.600E-21 1.0000\n378.0 3.000E-21 1.0000\n379.0 0.000E+00 1.0000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/BALD_06", "content": "BALD-06 \n! Benzaldehyde absorption cross sections recommended by Calvert et al (2002) \n! From Lang (1961-1971) in hexane solution \n! \nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n280.0 3.491E-18 1.0000\n281.0 3.267E-18 1.0000\n282.0 3.131E-18 1.0000\n283.0 2.705E-18 1.0000\n284.0 2.656E-18 1.0000\n285.0 2.643E-18 1.0000\n286.0 2.569E-18 1.0000\n287.0 2.599E-18 1.0000\n288.0 2.810E-18 1.0000\n289.0 2.400E-18 1.0000\n290.0 1.998E-18 1.0000\n291.0 1.410E-18 1.0000\n292.0 8.250E-19 1.0000\n293.0 6.120E-19 1.0000\n294.0 3.990E-19 1.0000\n295.0 2.780E-19 1.0000\n296.0 1.570E-19 1.0000\n297.0 1.340E-19 1.0000\n298.0 1.100E-19 1.0000\n299.0 9.200E-20 1.0000\n300.0 7.400E-20 1.0000\n301.0 6.900E-20 1.0000\n302.0 6.500E-20 1.0000\n303.0 6.600E-20 1.0000\n304.0 6.800E-20 1.0000\n305.0 7.100E-20 1.0000\n306.0 7.300E-20 1.0000\n307.0 7.400E-20 1.0000\n308.0 7.400E-20 1.0000\n309.0 7.300E-20 1.0000\n310.0 7.200E-20 1.0000\n311.0 6.800E-20 1.0000\n312.0 6.800E-20 1.0000\n313.0 7.000E-20 1.0000\n314.0 8.100E-20 1.0000\n315.0 8.900E-20 1.0000\n316.0 9.200E-20 1.0000\n317.0 9.300E-20 1.0000\n318.0 9.100E-20 1.0000\n319.0 8.700E-20 1.0000\n320.0 8.600E-20 1.0000\n321.0 8.400E-20 1.0000\n322.0 8.500E-20 1.0000\n323.0 8.900E-20 1.0000\n324.0 9.100E-20 1.0000\n325.0 9.700E-20 1.0000\n326.0 1.000E-19 1.0000\n327.0 1.000E-19 1.0000\n328.0 1.000E-19 1.0000\n329.0 1.000E-19 1.0000\n330.0 9.300E-20 1.0000\n331.0 9.000E-20 1.0000\n332.0 8.700E-20 1.0000\n333.0 8.500E-20 1.0000\n334.0 8.600E-20 1.0000\n335.0 8.900E-20 1.0000\n336.0 9.300E-20 1.0000\n337.0 9.700E-20 1.0000\n338.0 1.010E-19 1.0000\n339.0 1.040E-19 1.0000\n340.0 1.000E-19 1.0000\n341.0 9.400E-20 1.0000\n342.0 8.600E-20 1.0000\n343.0 8.300E-20 1.0000\n344.0 7.900E-20 1.0000\n345.0 7.400E-20 1.0000\n346.0 7.000E-20 1.0000\n347.0 6.500E-20 1.0000\n348.0 6.100E-20 1.0000\n349.0 6.100E-20 1.0000\n350.0 6.300E-20 1.0000\n351.0 7.000E-20 1.0000\n352.0 7.600E-20 1.0000\n353.0 8.300E-20 1.0000\n354.0 8.400E-20 1.0000\n355.0 7.300E-20 1.0000\n356.0 6.200E-20 1.0000\n357.0 5.500E-20 1.0000\n358.0 4.800E-20 1.0000\n359.0 4.100E-20 1.0000\n360.0 3.300E-20 1.0000\n361.0 3.100E-20 1.0000\n362.0 2.900E-20 1.0000\n363.0 2.600E-20 1.0000\n364.0 2.400E-20 1.0000\n365.0 2.400E-20 1.0000\n366.0 2.500E-20 1.0000\n367.0 2.700E-20 1.0000\n368.0 2.900E-20 1.0000\n369.0 3.300E-20 1.0000\n370.0 3.600E-20 1.0000\n371.0 4.000E-20 1.0000\n372.0 3.300E-20 1.0000\n373.0 2.300E-20 1.0000\n374.0 1.400E-20 1.0000\n375.0 9.900E-21 1.0000\n376.0 6.100E-21 1.0000\n377.0 4.600E-21 1.0000\n378.0 3.000E-21 1.0000\n379.0 0.000E+00 1.0000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/BALD_RACM2", "content": "BALD_RACM2\n! BALD + HV = CHO + HO2 + CO \n! Absorption cross sections from SAPRC07 \n! Quantum yields from SAPRC07 \n! Supplied by Dr. Wendy Goliff, Reformatted by Dr. Golam Sarwar to make it compatible with CMAQ\nPoints \n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n186.1 0.000E+00 0.000\n187.8 0.000E+00 0.000\n189.6 0.000E+00 0.000\n191.4 0.000E+00 0.000\n193.3 0.000E+00 0.000\n195.2 0.000E+00 0.000\n197.1 0.000E+00 0.000\n199.0 0.000E+00 0.000\n201.0 0.000E+00 0.000\n203.1 0.000E+00 0.000\n205.2 0.000E+00 0.000\n207.3 0.000E+00 0.000\n209.4 0.000E+00 0.000\n211.7 0.000E+00 0.000\n213.9 0.000E+00 0.000\n216.2 0.000E+00 0.000\n218.6 0.000E+00 0.000\n221.0 0.000E+00 0.000\n223.5 0.000E+00 0.000\n226.0 0.000E+00 0.000\n228.6 0.000E+00 0.000\n231.3 0.000E+00 0.000\n234.0 0.000E+00 0.000\n236.7 0.000E+00 0.000\n239.6 0.000E+00 0.000\n242.5 0.000E+00 0.000\n245.4 0.000E+00 0.000\n248.5 0.000E+00 0.000\n251.6 0.000E+00 0.000\n254.8 0.000E+00 0.000\n258.2 0.000E+00 0.000\n261.5 0.000E+00 0.000\n265.0 0.000E+00 0.000\n268.5 0.000E+00 0.000\n272.2 0.000E+00 0.000\n275.9 0.000E+00 0.000\n279.8 0.349E-17 0.060\n283.7 0.266E-17 0.060\n287.8 0.281E-17 0.060\n292.0 0.825E-18 0.060\n296.3 0.157E-18 0.060\n300.5 0.690E-19 0.060\n303.0 0.660E-19 0.060\n304.0 0.680E-19 0.060\n305.0 0.710E-19 0.060\n306.0 0.730E-19 0.060\n307.0 0.740E-19 0.060\n308.0 0.740E-19 0.060\n309.0 0.730E-19 0.060\n310.0 0.720E-19 0.060\n311.0 0.680E-19 0.060\n312.0 0.680E-19 0.060\n313.0 0.700E-19 0.060\n314.0 0.810E-19 0.060\n316.0 0.920E-19 0.060\n320.0 0.860E-19 0.060\n325.0 0.970E-19 0.060\n330.0 0.930E-19 0.060\n335.0 0.890E-19 0.060\n340.0 0.100E-18 0.060\n345.0 0.740E-19 0.060\n350.0 0.630E-19 0.060\n355.0 0.730E-19 0.060\n360.0 0.330E-19 0.060\n365.0 0.240E-19 0.060\n370.0 0.360E-19 0.060\n375.0 0.990E-20 0.000\n380.0 0.000E+00 0.000\n385.0 0.000E+00 0.000\n390.0 0.000E+00 0.000\n395.0 0.000E+00 0.000\n400.0 0.000E+00 0.000\n405.0 0.000E+00 0.000\n410.0 0.000E+00 0.000\n415.0 0.000E+00 0.000\n420.0 0.000E+00 0.000\n425.0 0.000E+00 0.000\n430.0 0.000E+00 0.000\n435.0 0.000E+00 0.000\n440.0 0.000E+00 0.000\n445.0 0.000E+00 0.000\n450.0 0.000E+00 0.000\n455.0 0.000E+00 0.000\n460.0 0.000E+00 0.000\n465.0 0.000E+00 0.000\n470.0 0.000E+00 0.000\n475.0 0.000E+00 0.000\n480.0 0.000E+00 0.000\n485.0 0.000E+00 0.000\n490.0 0.000E+00 0.000\n495.0 0.000E+00 0.000\n500.0 0.000E+00 0.000\n505.0 0.000E+00 0.000\n510.0 0.000E+00 0.000\n515.0 0.000E+00 0.000\n520.0 0.000E+00 0.000\n525.0 0.000E+00 0.000\n530.0 0.000E+00 0.000\n535.0 0.000E+00 0.000\n540.0 0.000E+00 0.000\n545.0 0.000E+00 0.000\n550.0 0.000E+00 0.000\n555.0 0.000E+00 0.000\n560.0 0.000E+00 0.000\n565.0 0.000E+00 0.000\n570.0 0.000E+00 0.000\n575.0 0.000E+00 0.000\n580.0 0.000E+00 0.000\n585.0 0.000E+00 0.000\n590.0 0.000E+00 0.000\n595.0 0.000E+00 0.000\n600.0 0.000E+00 0.000\n605.0 0.000E+00 0.000\n610.0 0.000E+00 0.000\n615.0 0.000E+00 0.000\n620.0 0.000E+00 0.000\n625.0 0.000E+00 0.000\n630.0 0.000E+00 0.000\n635.0 0.000E+00 0.000\n640.0 0.000E+00 0.000\n644.8 0.000E+00 0.000\n651.0 0.000E+00 0.000\n660.0 0.000E+00 0.000\n670.0 0.000E+00 0.000\n680.0 0.000E+00 0.000\n690.0 0.000E+00 0.000\n700.0 0.000E+00 0.000\n710.0 0.000E+00 0.000\n720.0 0.000E+00 0.000\n730.0 0.000E+00 0.000" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/BIACET_MCMv32", "content": "BIACET_MCMv32\n!Biacetyl (CH3C(O)C(O)CH3) absorption cross sections (1 bar, 298 K)\n!phi (CH3CO + CH3CO) = 0.158 for wavelength less than 460 nm\n!http://iupac.pole-ether.fr/htdocs/datasheets/pdf/P23_Biacetyl+hv.pdf dated 2011\n!\n!Cross Secton\n! 1) Horowitz, A., R. Meller, and G. K. Moortgat, \n! The UV-VIS absorption cross sectiono of the a-dicarbonyl compounds:\n! pyruvic acid, biacetyl, and glyoxal. J. Photochem. Photobiol. \n! A:Chemistry, v.146, pp.19-27, 2001.\n!\n!Quantum Yield\n!\n! 1) Christopher N. Plum, Eugenlo Sanhueza, Roger Atkinson, William P. L. Carter and James N. Pitts Jr\n! OH Radical Rate Constants and Photolysis Rates of a-Dicarbonyls\n! Environ. Sci. Technol., Vol. 17, No. 8, 1983, p.480\n! 2) Rajakumar, B., Gierczak, T., Flad, J., Ravishankara, A.R., and Burkholder, J.B., J. Photochem\n! Photobiol. A: Chem. 199, 336-344, 2008.\n!\n!\n! Pressure correction based on phi(z=infi) and ph(z=0) values based on\n! by solving the below for kq\n! phi(z=infi)/ph(z=0) = (0.76/0.16) = 1.0 + kq*Temp(z=0)*Number_Density(z=0)\n! Number Density in molecules/cm3\n!\n!wavelength (nm) sigma phi\nPoints (the mechanism evaluated with this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n206.0 1.030E-19 0.158\n207.0 9.860E-20 0.158\n208.0 9.140E-20 0.158\n209.0 7.970E-20 0.158\n210.0 6.740E-20 0.158\n211.0 5.820E-20 0.158\n212.0 5.180E-20 0.158\n213.0 4.700E-20 0.158\n214.0 4.290E-20 0.158\n215.0 3.900E-20 0.158\n216.0 3.550E-20 0.158\n217.0 3.210E-20 0.158\n218.0 2.900E-20 0.158\n219.0 2.580E-20 0.158\n220.0 2.260E-20 0.158\n221.0 1.960E-20 0.158\n222.0 1.700E-20 0.158\n223.0 1.500E-20 0.158\n224.0 1.350E-20 0.158\n225.0 1.270E-20 0.158\n226.0 1.230E-20 0.158\n227.0 1.240E-20 0.158\n228.0 1.280E-20 0.158\n229.0 1.340E-20 0.158\n230.0 1.410E-20 0.158\n231.0 1.470E-20 0.158\n232.0 1.530E-20 0.158\n233.0 1.590E-20 0.158\n234.0 1.680E-20 0.158\n235.0 1.800E-20 0.158\n236.0 1.920E-20 0.158\n237.0 2.090E-20 0.158\n238.0 2.150E-20 0.158\n239.0 2.210E-20 0.158\n240.0 2.290E-20 0.158\n241.0 2.390E-20 0.158\n242.0 2.540E-20 0.158\n243.0 2.690E-20 0.158\n244.0 2.800E-20 0.158\n245.0 2.890E-20 0.158\n246.0 2.940E-20 0.158\n247.0 2.990E-20 0.158\n248.0 3.050E-20 0.158\n249.0 3.150E-20 0.158\n250.0 3.310E-20 0.158\n251.0 3.480E-20 0.158\n252.0 3.600E-20 0.158\n253.0 3.680E-20 0.158\n254.0 3.730E-20 0.158\n255.0 3.750E-20 0.158\n256.0 3.780E-20 0.158\n257.0 3.840E-20 0.158\n258.0 3.940E-20 0.158\n259.0 4.090E-20 0.158\n260.0 4.270E-20 0.158\n261.0 4.410E-20 0.158\n262.0 4.460E-20 0.158\n263.0 4.490E-20 0.158\n264.0 4.490E-20 0.158\n265.0 4.480E-20 0.158\n266.0 4.490E-20 0.158\n267.0 4.540E-20 0.158\n268.0 4.630E-20 0.158\n269.0 4.810E-20 0.158\n270.0 4.950E-20 0.158\n271.0 5.000E-20 0.158\n272.0 4.980E-20 0.158\n273.0 3.920E-20 0.158\n274.0 4.850E-20 0.158\n275.0 4.760E-20 0.158\n276.0 4.700E-20 0.158\n277.0 4.680E-20 0.158\n278.0 4.670E-20 0.158\n279.0 4.680E-20 0.158\n280.0 4.710E-20 0.158\n281.0 4.730E-20 0.158\n282.0 4.650E-20 0.158\n283.0 4.500E-20 0.158\n284.0 4.320E-20 0.158\n285.0 4.140E-20 0.158\n286.0 3.940E-20 0.158\n287.0 3.770E-20 0.158\n288.0 3.620E-20 0.158\n289.0 3.500E-20 0.158\n290.0 3.380E-20 0.158\n291.0 3.280E-20 0.158\n292.0 3.200E-20 0.158\n293.0 3.110E-20 0.158\n294.0 2.960E-20 0.158\n295.0 2.730E-20 0.158\n296.0 2.500E-20 0.158\n297.0 2.290E-20 0.158\n298.0 2.100E-20 0.158\n299.0 1.930E-20 0.158\n300.0 1.770E-20 0.158\n301.0 1.640E-20 0.158\n302.0 1.540E-20 0.158\n303.0 1.460E-20 0.158\n304.0 1.380E-20 0.158\n305.0 1.320E-20 0.158\n306.0 1.270E-20 0.158\n307.0 1.210E-20 0.158\n308.0 1.100E-20 0.158\n309.0 0.950E-20 0.158\n310.0 0.815E-20 0.158\n311.0 0.707E-20 0.158\n312.0 0.616E-20 0.158\n313.0 0.539E-20 0.158\n314.0 0.480E-20 0.158\n315.0 0.438E-20 0.158\n316.0 0.405E-20 0.158\n317.0 0.380E-20 0.158\n318.0 0.360E-20 0.158\n319.0 0.344E-20 0.158\n320.0 0.334E-20 0.158\n321.0 0.331E-20 0.158\n322.0 0.321E-20 0.158\n323.0 0.295E-20 0.158\n324.0 0.261E-20 0.158\n325.0 0.232E-20 0.158\n326.0 0.212E-20 0.158\n327.0 0.200E-20 0.158\n328.0 0.194E-20 0.158\n329.0 0.193E-20 0.158\n330.0 0.196E-20 0.158\n331.0 0.203E-20 0.158\n332.0 0.212E-20 0.158\n333.0 0.199E-20 0.158\n334.0 0.216E-20 0.158\n335.0 0.231E-20 0.158\n336.0 0.245E-20 0.158\n337.0 0.263E-20 0.158\n338.0 0.284E-20 0.158\n339.0 0.296E-20 0.158\n340.0 0.298E-20 0.158\n341.0 0.318E-20 0.158\n342.0 0.346E-20 0.158\n343.0 0.365E-20 0.158\n344.0 0.387E-20 0.158\n345.0 0.412E-20 0.158\n346.0 0.442E-20 0.158\n347.0 0.469E-20 0.158\n348.0 0.499E-20 0.158\n349.0 0.534E-20 0.158\n350.0 0.565E-20 0.158\n351.0 0.607E-20 0.158\n352.0 0.650E-20 0.158\n353.0 0.683E-20 0.158\n354.0 0.729E-20 0.158\n355.0 0.771E-20 0.158\n356.0 0.815E-20 0.158\n357.0 0.864E-20 0.158\n358.0 0.916E-20 0.158\n359.0 0.966E-20 0.158\n360.0 1.020E-20 0.158\n361.0 1.080E-20 0.158\n362.0 1.190E-20 0.158\n363.0 1.260E-20 0.158\n364.0 1.330E-20 0.158\n365.0 1.410E-20 0.158\n366.0 1.490E-20 0.158\n367.0 1.570E-20 0.158\n368.0 1.660E-20 0.158\n369.0 1.760E-20 0.158\n370.0 1.850E-20 0.158\n371.0 1.940E-20 0.158\n372.0 2.020E-20 0.158\n373.0 2.100E-20 0.158\n374.0 2.170E-20 0.158\n375.0 2.250E-20 0.158\n376.0 2.330E-20 0.158\n377.0 2.410E-20 0.158\n378.0 2.500E-20 0.158\n379.0 2.580E-20 0.158\n380.0 2.680E-20 0.158\n381.0 2.790E-20 0.158\n382.0 2.920E-20 0.158\n383.0 3.070E-20 0.158\n384.0 3.220E-20 0.158\n385.0 3.390E-20 0.158\n386.0 3.530E-20 0.158\n387.0 3.670E-20 0.158\n388.0 3.820E-20 0.158\n389.0 4.000E-20 0.158\n390.0 4.170E-20 0.158\n391.0 4.340E-20 0.158\n392.0 4.470E-20 0.158\n393.0 4.560E-20 0.158\n394.0 4.620E-20 0.158\n395.0 4.670E-20 0.158\n396.0 4.730E-20 0.158\n397.0 4.820E-20 0.158\n398.0 4.920E-20 0.158\n399.0 5.020E-20 0.158\n400.0 5.120E-20 0.158\n401.0 5.190E-20 0.158\n402.0 5.260E-20 0.158\n403.0 5.380E-20 0.158\n404.0 5.540E-20 0.158\n405.0 5.750E-20 0.158\n406.0 6.000E-20 0.158\n407.0 6.260E-20 0.158\n408.0 6.470E-20 0.158\n409.0 6.590E-20 0.158\n410.0 6.690E-20 0.158\n411.0 6.820E-20 0.158\n412.0 6.970E-20 0.158\n413.0 7.110E-20 0.158\n414.0 7.310E-20 0.158\n415.0 7.470E-20 0.158\n416.0 7.570E-20 0.158\n417.0 7.620E-20 0.158\n418.0 7.510E-20 0.158\n419.0 7.390E-20 0.158\n420.0 7.370E-20 0.158\n421.0 7.320E-20 0.158\n422.0 7.250E-20 0.158\n423.0 7.240E-20 0.158\n424.0 7.130E-20 0.158\n425.0 6.980E-20 0.158\n426.0 6.810E-20 0.158\n427.0 6.570E-20 0.158\n428.0 6.430E-20 0.158\n429.0 6.340E-20 0.158\n430.0 6.310E-20 0.158\n431.0 6.400E-20 0.158\n432.0 6.630E-20 0.158\n433.0 6.780E-20 0.158\n434.0 6.780E-20 0.158\n435.0 6.720E-20 0.158\n436.0 6.560E-20 0.158\n437.0 6.400E-20 0.158\n438.0 6.420E-20 0.158\n439.0 6.280E-20 0.158\n440.0 6.510E-20 0.158\n441.0 6.670E-20 0.158\n442.0 6.990E-20 0.158\n443.0 7.230E-20 0.158\n444.0 6.850E-20 0.158\n445.0 6.490E-20 0.158\n446.0 5.900E-20 0.158\n447.0 5.430E-20 0.158\n448.0 5.010E-20 0.158\n449.0 4.330E-20 0.158\n450.0 4.060E-20 0.158\n451.0 3.440E-20 0.158\n452.0 3.200E-20 0.158\n453.0 2.650E-20 0.158\n454.0 2.160E-20 0.158\n455.0 1.720E-20 0.158\n456.0 1.390E-20 0.158\n457.0 1.140E-20 0.158\n458.0 0.853E-20 0.158\n459.0 0.726E-20 0.158\n460.0 0.549E-20 0.158\n461.0 0.454E-20 0.158\n462.0 0.356E-20 0.158\n463.0 0.280E-20 0.158\n464.0 0.219E-20 0.158\n465.0 0.179E-20 0.158\n466.0 0.143E-20 0.158\n467.0 0.118E-20 0.158\n468.0 0.096E-20 0.158\n469.0 0.081E-20 0.158\n470.0 0.069E-20 0.158\n471.0 0.059E-20 0.158\n472.0 0.051E-20 0.158\n473.0 0.044E-20 0.158\n474.0 0.040E-20 0.158\n475.0 0.035E-20 0.158\n476.0 0.031E-20 0.158\n477.0 0.028E-20 0.158\n478.0 0.025E-20 0.158\n479.0 0.023E-20 0.158\n480.0 0.021E-20 0.158\n481.0 0.019E-20 0.158\n482.0 0.018E-20 0.158\n483.0 0.017E-20 0.158\n484.0 0.016E-20 0.158\n485.0 0.015E-20 0.158\n486.0 0.015E-20 0.158\n487.0 0.015E-20 0.158\n488.0 0.015E-20 0.158\n489.0 0.016E-20 0.158\n490.0 0.018E-20 0.158\n491.0 0.019E-20 0.158\n492.0 0.021E-20 0.158\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/BR2", "content": "BR2\n! BR2 + HV = 2BR\n! SAPRC-99 Photolysis data. \n! Supplied by Brett Gantt\n! Created from IUPAC dataset PBr9 3-Mar-2014 10:00\nPoints (the mechanism was evaluated assuming this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n200.0 5.620E-21 1.000\n205.0 7.230E-21 1.000\n210.0 8.700E-21 1.000\n215.0 9.830E-21 1.000\n220.0 1.040E-20 1.000\n225.0 1.060E-20 1.000\n230.0 1.010E-20 1.000\n235.0 9.250E-21 1.000\n240.0 8.080E-21 1.000\n245.0 6.760E-21 1.000\n250.0 5.430E-21 1.000\n255.0 4.220E-21 1.000\n260.0 3.160E-21 1.000\n265.0 2.290E-21 1.000\n270.0 1.610E-21 1.000\n275.0 1.800E-21 1.000\n280.0 7.280E-22 1.000\n285.0 4.710E-22 1.000\n290.0 2.398E-22 1.000\n295.0 1.880E-22 1.000\n300.0 1.240E-22 1.000\n305.0 1.010E-22 1.000\n310.0 1.350E-22 1.000\n315.0 2.740E-22 1.000\n320.0 6.260E-22 1.000\n325.0 1.410E-21 1.000\n330.0 2.990E-21 1.000\n335.0 6.020E-21 1.000\n340.0 1.140E-20 1.000\n345.0 2.050E-20 1.000\n350.0 3.480E-20 1.000\n355.0 5.630E-20 1.000\n360.0 8.650E-20 1.000\n365.0 1.270E-19 1.000\n370.0 1.780E-19 1.000\n375.0 2.390E-19 1.000\n380.0 3.070E-19 1.000\n385.0 3.790E-19 1.000\n390.0 4.510E-19 1.000\n395.0 5.180E-19 1.000\n400.0 5.740E-19 1.000\n405.0 6.160E-19 1.000\n410.0 6.420E-19 1.000\n415.0 6.510E-19 1.000\n420.0 6.770E-19 1.000\n425.0 6.080E-19 1.000\n430.0 6.010E-19 1.000\n435.0 5.710E-19 1.000\n440.0 5.400E-19 1.000\n445.0 5.120E-19 1.000\n450.0 4.870E-19 1.000\n455.0 4.670E-19 1.000\n460.0 4.510E-19 1.000\n465.0 4.380E-19 1.000\n470.0 4.280E-19 1.000\n475.0 4.170E-19 1.000\n480.0 4.030E-19 1.000\n485.0 3.860E-19 1.000\n490.0 3.660E-19 1.000\n495.0 3.430E-19 1.000\n500.0 3.180E-19 1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/BR2_IUPAC10", "content": "BR2_IUPAC10\n! BR2 + HV = 2BR\n! BR2 Photolysis data (QY from Parrella et al., 2012)\n! Supplied by Brett Gantt\n! Created from IUPAC dataset\nPoints (these data can be treated as point values)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n200.0 5.620E-21 1.000\n205.0 7.230E-21 1.000\n210.0 8.700E-21 1.000\n215.0 9.830E-21 1.000\n220.0 1.040E-20 1.000\n225.0 1.060E-20 1.000\n230.0 1.010E-20 1.000\n235.0 9.250E-21 1.000\n240.0 8.080E-21 1.000\n245.0 6.760E-21 1.000\n250.0 5.430E-21 1.000\n255.0 4.220E-21 1.000\n260.0 3.160E-21 1.000\n265.0 2.290E-21 1.000\n270.0 1.610E-21 1.000\n275.0 1.800E-21 1.000\n280.0 7.280E-22 1.000\n285.0 4.710E-22 1.000\n290.0 2.398E-22 1.000\n295.0 1.880E-22 1.000\n300.0 1.240E-22 1.000\n305.0 1.010E-22 1.000\n310.0 1.350E-22 1.000\n315.0 2.740E-22 1.000\n320.0 6.260E-22 1.000\n325.0 1.410E-21 1.000\n330.0 2.990E-21 1.000\n335.0 6.020E-21 1.000\n340.0 1.140E-20 1.000\n345.0 2.050E-20 1.000\n350.0 3.480E-20 1.000\n355.0 5.630E-20 1.000\n360.0 8.650E-20 1.000\n365.0 1.270E-19 1.000\n370.0 1.780E-19 1.000\n375.0 2.390E-19 1.000\n380.0 3.070E-19 1.000\n385.0 3.790E-19 1.000\n390.0 4.510E-19 1.000\n395.0 5.180E-19 1.000\n400.0 5.740E-19 1.000\n405.0 6.160E-19 1.000\n410.0 6.420E-19 1.000\n415.0 6.510E-19 1.000\n420.0 6.770E-19 1.000\n425.0 6.080E-19 1.000\n430.0 6.010E-19 1.000\n435.0 5.710E-19 1.000\n440.0 5.400E-19 1.000\n445.0 5.120E-19 1.000\n450.0 4.870E-19 1.000\n455.0 4.670E-19 1.000\n460.0 4.510E-19 1.000\n465.0 4.380E-19 1.000\n470.0 4.280E-19 1.000\n475.0 4.170E-19 1.000\n480.0 4.030E-19 1.000\n485.0 3.860E-19 1.000\n490.0 3.660E-19 1.000\n495.0 3.430E-19 1.000\n500.0 3.180E-19 1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/BR2_IUPAC2014", "content": "BR2\n! BR2 + HV = 2BR\n! SAPRC-99 Photolysis data. \n! Supplied by Brett Gantt\n! Created from IUPAC dataset 3-Mar-2014 10:00\nPoints (the mechanism was evaluated assuming this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n200.0 5.620E-21 1.000\n205.0 7.230E-21 1.000\n210.0 8.700E-21 1.000\n215.0 9.830E-21 1.000\n220.0 1.040E-20 1.000\n225.0 1.060E-20 1.000\n230.0 1.010E-20 1.000\n235.0 9.250E-21 1.000\n240.0 8.080E-21 1.000\n245.0 6.760E-21 1.000\n250.0 5.430E-21 1.000\n255.0 4.220E-21 1.000\n260.0 3.160E-21 1.000\n265.0 2.290E-21 1.000\n270.0 1.610E-21 1.000\n275.0 1.800E-21 1.000\n280.0 7.280E-22 1.000\n285.0 4.710E-22 1.000\n290.0 2.398E-22 1.000\n295.0 1.880E-22 1.000\n300.0 1.240E-22 1.000\n305.0 1.010E-22 1.000\n310.0 1.350E-22 1.000\n315.0 2.740E-22 1.000\n320.0 6.260E-22 1.000\n325.0 1.410E-21 1.000\n330.0 2.990E-21 1.000\n335.0 6.020E-21 1.000\n340.0 1.140E-20 1.000\n345.0 2.050E-20 1.000\n350.0 3.480E-20 1.000\n355.0 5.630E-20 1.000\n360.0 8.650E-20 1.000\n365.0 1.270E-19 1.000\n370.0 1.780E-19 1.000\n375.0 2.390E-19 1.000\n380.0 3.070E-19 1.000\n385.0 3.790E-19 1.000\n390.0 4.510E-19 1.000\n395.0 5.180E-19 1.000\n400.0 5.740E-19 1.000\n405.0 6.160E-19 1.000\n410.0 6.420E-19 1.000\n415.0 6.510E-19 1.000\n420.0 6.770E-19 1.000\n425.0 6.080E-19 1.000\n430.0 6.010E-19 1.000\n435.0 5.710E-19 1.000\n440.0 5.400E-19 1.000\n445.0 5.120E-19 1.000\n450.0 4.870E-19 1.000\n455.0 4.670E-19 1.000\n460.0 4.510E-19 1.000\n465.0 4.380E-19 1.000\n470.0 4.280E-19 1.000\n475.0 4.170E-19 1.000\n480.0 4.030E-19 1.000\n485.0 3.860E-19 1.000\n490.0 3.660E-19 1.000\n495.0 3.430E-19 1.000\n500.0 3.180E-19 1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/BRCL", "content": "BRCL\n! BRCL + HV = BR + CL\n! BRCL Photolysis data \n! Supplied by Golam Sarwar \n! Created from IUPAC dataset 19-Mar-2014 11:00\nPoints (These data can be treated as point values)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n200.0 2.950E-20 1.000\n210.0 4.270E-20 1.000\n220.0 6.310E-20 1.000\n230.0 6.610E-20 1.000\n240.0 5.620E-20 1.000\n250.0 4.070E-20 1.000\n260.0 5.500E-20 1.000\n270.0 1.290E-20 1.000\n280.0 0.660E-20 1.000\n290.0 0.390E-20 1.000\n300.0 0.560E-20 1.000\n310.0 1.510E-20 1.000\n320.0 4.070E-20 1.000\n330.0 9.120E-20 1.000\n340.0 17.00E-20 1.000\n350.0 28.18E-20 1.000\n360.0 34.67E-20 1.000\n370.0 41.69E-20 1.000\n380.0 39.81E-20 1.000\n390.0 33.88E-20 1.000\n400.0 28.18E-20 1.000\n410.0 22.39E-20 1.000\n420.0 17.78E-20 1.000\n430.0 14.45E-20 1.000\n440.0 12.59E-20 1.000\n450.0 10.72E-20 1.000\n460.0 9.330E-20 1.000\n470.0 7.940E-20 1.000\n480.0 6.310E-20 1.000\n490.0 5.010E-20 1.000\n500.0 3.390E-20 1.000\n510.0 2.630E-20 1.000\n520.0 1.660E-20 1.000\n530.0 1.100E-20 1.000\n540.0 0.660E-20 1.000\n550.0 0.410E-20 1.000\n560.0 0.250E-20 1.000\n570.0 0.144E-20 1.000\n580.0 0.832E-20 1.000\n590.0 0.048E-20 1.000\n600.0 0.025E-20 1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/BRCL_IUPAC10", "content": "BRCL_IUPAC10\n! BRCL + HV = BR + CL\n! BRCL Photolysis data \n! Supplied by Golam Sarwar \n! Created from IUPAC dataset PBr3\nPoints (these data can be treated as point values)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n200.0 2.950E-20 1.000\n210.0 4.270E-20 1.000\n220.0 6.310E-20 1.000\n230.0 6.610E-20 1.000\n240.0 5.620E-20 1.000\n250.0 4.070E-20 1.000\n260.0 5.500E-20 1.000\n270.0 1.290E-20 1.000\n280.0 6.600E-21 1.000\n290.0 3.900E-21 1.000\n300.0 5.600E-21 1.000\n310.0 1.510E-20 1.000\n320.0 4.070E-20 1.000\n330.0 9.120E-20 1.000\n340.0 1.700E-19 1.000\n350.0 2.818E-19 1.000\n360.0 3.467E-19 1.000\n370.0 4.169E-19 1.000\n380.0 3.981E-19 1.000\n390.0 3.388E-19 1.000\n400.0 2.818E-19 1.000\n410.0 2.239E-19 1.000\n420.0 1.778E-19 1.000\n430.0 1.445E-19 1.000\n440.0 1.259E-19 1.000\n450.0 1.072E-19 1.000\n460.0 9.330E-20 1.000\n470.0 7.940E-20 1.000\n480.0 6.310E-20 1.000\n490.0 5.010E-20 1.000\n500.0 3.390E-20 1.000\n510.0 2.630E-20 1.000\n520.0 1.660E-20 1.000\n530.0 1.100E-20 1.000\n540.0 6.600E-21 1.000\n550.0 4.100E-21 1.000\n560.0 2.500E-21 1.000\n570.0 1.440E-21 1.000\n580.0 8.320E-21 1.000\n590.0 4.800E-22 1.000\n600.0 2.500E-22 1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/BRCL_IUPAC2014", "content": "BRCL\n! BRCL + HV = BR + CL\n! BRCL Photolysis data \n! Supplied by Golam Sarwar \n! Created from IUPAC dataset PBr8 19-Mar-2014 11:00\nPoints (These data can be treated as point values)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n200.0 2.950E-20 1.000\n210.0 4.270E-20 1.000\n220.0 6.310E-20 1.000\n230.0 6.610E-20 1.000\n240.0 5.620E-20 1.000\n250.0 4.070E-20 1.000\n260.0 5.500E-20 1.000\n270.0 1.290E-20 1.000\n280.0 0.660E-20 1.000\n290.0 0.390E-20 1.000\n300.0 0.560E-20 1.000\n310.0 1.510E-20 1.000\n320.0 4.070E-20 1.000\n330.0 9.120E-20 1.000\n340.0 17.00E-20 1.000\n350.0 28.18E-20 1.000\n360.0 34.67E-20 1.000\n370.0 41.69E-20 1.000\n380.0 39.81E-20 1.000\n390.0 33.88E-20 1.000\n400.0 28.18E-20 1.000\n410.0 22.39E-20 1.000\n420.0 17.78E-20 1.000\n430.0 14.45E-20 1.000\n440.0 12.59E-20 1.000\n450.0 10.72E-20 1.000\n460.0 9.330E-20 1.000\n470.0 7.940E-20 1.000\n480.0 6.310E-20 1.000\n490.0 5.010E-20 1.000\n500.0 3.390E-20 1.000\n510.0 2.630E-20 1.000\n520.0 1.660E-20 1.000\n530.0 1.100E-20 1.000\n540.0 0.660E-20 1.000\n550.0 0.410E-20 1.000\n560.0 0.250E-20 1.000\n570.0 0.144E-20 1.000\n580.0 0.832E-20 1.000\n590.0 0.048E-20 1.000\n600.0 0.025E-20 1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/BRNO2", "content": "BRNO2\n! BRNO2 + HV = BR + NO2\n! BRNO2 Photolysis data \n! Supplied by Brett Gantt\n! Created from IUPAC dataset 3-Mar-2014 10:00\nPoints (These data can be treated as point values)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n185.0 2.048E-17 1.000\n190.0 3.601E-17 1.000\n195.0 5.013E-17 1.000\n200.0 5.386E-17 1.000\n205.0 4.499E-17 1.000\n210.0 2.521E-17 1.000\n215.0 1.170E-17 1.000\n220.0 5.540E-18 1.000\n225.0 3.730E-18 1.000\n230.0 3.430E-18 1.000\n235.0 3.620E-18 1.000\n240.0 3.870E-18 1.000\n245.0 3.900E-18 1.000\n250.0 3.630E-18 1.000\n255.0 3.100E-18 1.000\n260.0 2.510E-18 1.000\n265.0 1.970E-18 1.000\n270.0 1.540E-18 1.000\n275.0 1.160E-18 1.000\n280.0 8.800E-19 1.000\n285.0 6.300E-19 1.000\n290.0 4.400E-19 1.000\n295.0 3.000E-19 1.000\n300.0 2.000E-19 1.000\n305.0 1.500E-19 1.000\n310.0 1.100E-19 1.000\n315.0 1.100E-19 1.000\n320.0 1.000E-19 1.000\n325.0 1.200E-19 1.000\n330.0 1.300E-19 1.000\n335.0 1.400E-19 1.000\n340.0 1.600E-19 1.000\n345.0 1.500E-19 1.000\n350.0 1.600E-19 1.000\n355.0 1.600E-19 1.000\n360.0 1.800E-19 1.000\n365.0 1.900E-19 1.000\n370.0 1.700E-19 1.000\n375.0 1.800E-19 1.000\n380.0 1.700E-19 1.000\n385.0 1.700E-19 1.000\n390.0 1.600E-19 1.000\n395.0 1.500E-19 1.000\n400.0 1.400E-19 1.000\n405.0 1.400E-19 1.000\n410.0 1.300E-19 1.000\n415.0 1.200E-19 1.000\n420.0 1.100E-19 1.000\n425.0 1.000E-19 1.000\n430.0 9.000E-20 1.000\n435.0 8.000E-20 1.000\n440.0 7.000E-20 1.000\n445.0 7.000E-20 1.000\n450.0 6.000E-20 1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/BRNO2_IUPAC10", "content": "BRNO2_IUPAC10\n! BRNO2 + HV = BR + NO2\n! BRNO2 Photolysis data \n! Supplied by Brett Gantt\n! Created from IUPAC dataset PBr6\nPoints (these data can be treated as point values)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n185.0 2.048E-17 1.000\n190.0 3.601E-17 1.000\n195.0 5.013E-17 1.000\n200.0 5.386E-17 1.000\n205.0 4.499E-17 1.000\n210.0 2.521E-17 1.000\n215.0 1.170E-17 1.000\n220.0 5.540E-18 1.000\n225.0 3.730E-18 1.000\n230.0 3.430E-18 1.000\n235.0 3.620E-18 1.000\n240.0 3.870E-18 1.000\n245.0 3.900E-18 1.000\n250.0 3.630E-18 1.000\n255.0 3.100E-18 1.000\n260.0 2.510E-18 1.000\n265.0 1.970E-18 1.000\n270.0 1.540E-18 1.000\n275.0 1.160E-18 1.000\n280.0 8.800E-19 1.000\n285.0 6.300E-19 1.000\n290.0 4.400E-19 1.000\n295.0 3.000E-19 1.000\n300.0 2.000E-19 1.000\n305.0 1.500E-19 1.000\n310.0 1.100E-19 1.000\n315.0 1.100E-19 1.000\n320.0 1.000E-19 1.000\n325.0 1.200E-19 1.000\n330.0 1.300E-19 1.000\n335.0 1.400E-19 1.000\n340.0 1.600E-19 1.000\n345.0 1.500E-19 1.000\n350.0 1.600E-19 1.000\n355.0 1.600E-19 1.000\n360.0 1.800E-19 1.000\n365.0 1.900E-19 1.000\n370.0 1.700E-19 1.000\n375.0 1.800E-19 1.000\n380.0 1.700E-19 1.000\n385.0 1.700E-19 1.000\n390.0 1.600E-19 1.000\n395.0 1.500E-19 1.000\n400.0 1.400E-19 1.000\n405.0 1.400E-19 1.000\n410.0 1.300E-19 1.000\n415.0 1.200E-19 1.000\n420.0 1.100E-19 1.000\n425.0 1.000E-19 1.000\n430.0 9.000E-20 1.000\n435.0 8.000E-20 1.000\n440.0 7.000E-20 1.000\n445.0 7.000E-20 1.000\n450.0 6.000E-20 1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/BRNO2_IUPAC2014", "content": "BRNO2\n! BRNO2 + HV = BR + NO2\n! BRNO2 Photolysis data \n! Supplied by Brett Gantt\n! Created from IUPAC dataset 3-Mar-2014 10:00\nPoints (These data can be treated as point values)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n185.0 2.048E-17 1.000\n190.0 3.601E-17 1.000\n195.0 5.013E-17 1.000\n200.0 5.386E-17 1.000\n205.0 4.499E-17 1.000\n210.0 2.521E-17 1.000\n215.0 1.170E-17 1.000\n220.0 5.540E-18 1.000\n225.0 3.730E-18 1.000\n230.0 3.430E-18 1.000\n235.0 3.620E-18 1.000\n240.0 3.870E-18 1.000\n245.0 3.900E-18 1.000\n250.0 3.630E-18 1.000\n255.0 3.100E-18 1.000\n260.0 2.510E-18 1.000\n265.0 1.970E-18 1.000\n270.0 1.540E-18 1.000\n275.0 1.160E-18 1.000\n280.0 8.800E-19 1.000\n285.0 6.300E-19 1.000\n290.0 4.400E-19 1.000\n295.0 3.000E-19 1.000\n300.0 2.000E-19 1.000\n305.0 1.500E-19 1.000\n310.0 1.100E-19 1.000\n315.0 1.100E-19 1.000\n320.0 1.000E-19 1.000\n325.0 1.200E-19 1.000\n330.0 1.300E-19 1.000\n335.0 1.400E-19 1.000\n340.0 1.600E-19 1.000\n345.0 1.500E-19 1.000\n350.0 1.600E-19 1.000\n355.0 1.600E-19 1.000\n360.0 1.800E-19 1.000\n365.0 1.900E-19 1.000\n370.0 1.700E-19 1.000\n375.0 1.800E-19 1.000\n380.0 1.700E-19 1.000\n385.0 1.700E-19 1.000\n390.0 1.600E-19 1.000\n395.0 1.500E-19 1.000\n400.0 1.400E-19 1.000\n405.0 1.400E-19 1.000\n410.0 1.300E-19 1.000\n415.0 1.200E-19 1.000\n420.0 1.100E-19 1.000\n425.0 1.000E-19 1.000\n430.0 9.000E-20 1.000\n435.0 8.000E-20 1.000\n440.0 7.000E-20 1.000\n445.0 7.000E-20 1.000\n450.0 6.000E-20 1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/BRO", "content": "BRO\n! BRO + HV = BR + O\n! BRO Photolysis data \n! Supplied by Brett Gantt\n! Created from IUPAC dataset 3-Mar-2014 10:00\nPoints (These data can be treated as point values)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n302.0 2.000E-18 1.000\n307.0 2.590E-18 1.000\n312.0 4.540E-18 1.000\n317.0 3.910E-18 1.000\n322.0 6.000E-18 1.000\n327.0 7.530E-18 1.000\n332.0 6.280E-18 1.000\n337.0 5.890E-18 1.000\n342.0 5.150E-18 1.000\n347.0 3.990E-18 1.000\n352.0 2.280E-18 1.000\n357.0 1.720E-18 1.000\n362.0 1.610E-18 1.000\n367.0 9.200E-19 1.000\n372.0 5.100E-19 1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/BRONO2_M", "content": "BRONO2_M\n! BRONO2 + HV = BRO + NO2\n! BRONO2_M Photolysis data \n! Supplied by Brett Gantt\n! Created from IUPAC dataset 3-Mar-2014 10:00\nPoints (These data can be treated as point values)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n200.0 6.800E-18 0.710\n205.0 5.200E-18 0.710\n210.0 3.610E-18 0.710\n215.0 2.920E-18 0.710\n220.0 2.560E-18 0.710\n225.0 2.300E-18 0.710\n230.0 2.050E-18 0.710\n235.0 1.750E-18 0.710\n240.0 1.400E-18 0.710\n245.0 1.060E-18 0.710\n250.0 7.970E-19 0.710\n255.0 6.000E-19 0.710\n260.0 4.710E-19 0.710\n265.0 3.890E-19 0.710\n270.0 3.380E-19 0.710\n275.0 3.050E-19 0.710\n280.0 2.790E-19 0.710\n285.0 2.560E-19 0.710\n290.0 2.320E-19 0.710\n295.0 2.080E-19 0.710\n300.0 1.860E-19 0.710\n305.0 1.650E-19 0.710\n310.0 1.450E-19 0.710\n315.0 1.270E-19 0.710\n320.0 1.130E-19 0.710\n325.0 1.020E-19 0.710\n330.0 9.320E-20 0.710\n335.0 8.620E-20 0.710\n340.0 8.060E-20 0.710\n345.0 7.570E-20 0.710\n350.0 7.010E-20 0.710\n355.0 6.520E-20 0.710\n360.0 5.990E-20 0.710\n365.0 5.430E-20 0.710\n370.0 4.890E-20 0.710\n375.0 4.350E-20 0.710\n380.0 3.850E-20 0.710\n385.0 3.370E-20 0.710\n390.0 2.970E-20 0.710\n395.0 2.590E-20 0.710\n400.0 2.280E-20 0.710\n405.0 2.010E-20 0.710\n410.0 1.810E-20 0.710\n415.0 1.650E-20 0.710\n420.0 1.500E-20 0.710\n425.0 1.380E-20 0.710\n430.0 1.290E-20 0.710\n435.0 1.200E-20 0.710\n440.0 1.110E-20 0.710\n445.0 1.030E-20 0.710\n450.0 9.280E-21 0.710\n455.0 8.310E-21 0.710\n460.0 7.420E-21 0.710\n465.0 6.520E-21 0.710\n470.0 5.660E-21 0.710\n475.0 4.610E-21 0.710\n480.0 3.920E-21 0.710\n485.0 3.970E-21 0.710\n490.0 2.490E-21 0.710\n495.0 2.070E-21 0.710\n500.0 1.500E-21 0.710\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/BRONO2_M_IUPAC10", "content": "BRONO2_M_IUPAC10\n! BRONO2 + HV = BRO + NO2\n! BRONO2_M_IUPAC10 Photolysis data (QY taken from Yang et al., 2005)\n! Supplied by Brett Gantt\n! Created from IUPAC dataset\nPoints (these data can be treated as point values)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n200.0 6.800E-18 0.710\n205.0 5.200E-18 0.710\n210.0 3.610E-18 0.710\n215.0 2.920E-18 0.710\n220.0 2.560E-18 0.710\n225.0 2.300E-18 0.710\n230.0 2.050E-18 0.710\n235.0 1.750E-18 0.710\n240.0 1.400E-18 0.710\n245.0 1.060E-18 0.710\n250.0 7.970E-19 0.710\n255.0 6.000E-19 0.710\n260.0 4.710E-19 0.710\n265.0 3.890E-19 0.710\n270.0 3.380E-19 0.710\n275.0 3.050E-19 0.710\n280.0 2.790E-19 0.710\n285.0 2.560E-19 0.710\n290.0 2.320E-19 0.710\n295.0 2.080E-19 0.710\n300.0 1.860E-19 0.710\n305.0 1.650E-19 0.710\n310.0 1.450E-19 0.710\n315.0 1.270E-19 0.710\n320.0 1.130E-19 0.710\n325.0 1.020E-19 0.710\n330.0 9.320E-20 0.710\n335.0 8.620E-20 0.710\n340.0 8.060E-20 0.710\n345.0 7.570E-20 0.710\n350.0 7.010E-20 0.710\n355.0 6.520E-20 0.710\n360.0 5.990E-20 0.710\n365.0 5.430E-20 0.710\n370.0 4.890E-20 0.710\n375.0 4.350E-20 0.710\n380.0 3.850E-20 0.710\n385.0 3.370E-20 0.710\n390.0 2.970E-20 0.710\n395.0 2.590E-20 0.710\n400.0 2.280E-20 0.710\n405.0 2.010E-20 0.710\n410.0 1.810E-20 0.710\n415.0 1.650E-20 0.710\n420.0 1.500E-20 0.710\n425.0 1.380E-20 0.710\n430.0 1.290E-20 0.710\n435.0 1.200E-20 0.710\n440.0 1.110E-20 0.710\n445.0 1.030E-20 0.710\n450.0 9.280E-21 0.710\n455.0 8.310E-21 0.710\n460.0 7.420E-21 0.710\n465.0 6.520E-21 0.710\n470.0 5.660E-21 0.710\n475.0 4.610E-21 0.710\n480.0 3.920E-21 0.710\n485.0 3.970E-21 0.710\n490.0 2.490E-21 0.710\n495.0 2.070E-21 0.710\n500.0 1.500E-21 0.710\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/BRONO2_M_IUPAC2014", "content": "BRONO2_M\n! BRONO2 + HV = BRO + NO2\n! BRONO2_M Photolysis data \n! Supplied by Brett Gantt\n! Created from IUPAC dataset 3-Mar-2014 10:00\nPoints (These data can be treated as point values)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n200.0 6.800E-18 0.710\n205.0 5.200E-18 0.710\n210.0 3.610E-18 0.710\n215.0 2.920E-18 0.710\n220.0 2.560E-18 0.710\n225.0 2.300E-18 0.710\n230.0 2.050E-18 0.710\n235.0 1.750E-18 0.710\n240.0 1.400E-18 0.710\n245.0 1.060E-18 0.710\n250.0 7.970E-19 0.710\n255.0 6.000E-19 0.710\n260.0 4.710E-19 0.710\n265.0 3.890E-19 0.710\n270.0 3.380E-19 0.710\n275.0 3.050E-19 0.710\n280.0 2.790E-19 0.710\n285.0 2.560E-19 0.710\n290.0 2.320E-19 0.710\n295.0 2.080E-19 0.710\n300.0 1.860E-19 0.710\n305.0 1.650E-19 0.710\n310.0 1.450E-19 0.710\n315.0 1.270E-19 0.710\n320.0 1.130E-19 0.710\n325.0 1.020E-19 0.710\n330.0 9.320E-20 0.710\n335.0 8.620E-20 0.710\n340.0 8.060E-20 0.710\n345.0 7.570E-20 0.710\n350.0 7.010E-20 0.710\n355.0 6.520E-20 0.710\n360.0 5.990E-20 0.710\n365.0 5.430E-20 0.710\n370.0 4.890E-20 0.710\n375.0 4.350E-20 0.710\n380.0 3.850E-20 0.710\n385.0 3.370E-20 0.710\n390.0 2.970E-20 0.710\n395.0 2.590E-20 0.710\n400.0 2.280E-20 0.710\n405.0 2.010E-20 0.710\n410.0 1.810E-20 0.710\n415.0 1.650E-20 0.710\n420.0 1.500E-20 0.710\n425.0 1.380E-20 0.710\n430.0 1.290E-20 0.710\n435.0 1.200E-20 0.710\n440.0 1.110E-20 0.710\n445.0 1.030E-20 0.710\n450.0 9.280E-21 0.710\n455.0 8.310E-21 0.710\n460.0 7.420E-21 0.710\n465.0 6.520E-21 0.710\n470.0 5.660E-21 0.710\n475.0 4.610E-21 0.710\n480.0 3.920E-21 0.710\n485.0 3.970E-21 0.710\n490.0 2.490E-21 0.710\n495.0 2.070E-21 0.710\n500.0 1.500E-21 0.710\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/BRONO2_R", "content": "BRONO2_R\n! BRONO2 + HV = BR + NO3\n! BRONO2_R Photolysis data \n! Supplied by Brett Gantt\n! Created from IUPAC dataset 3-Mar-2014 10:00\nPoints (These data can be treated as point values)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n200.0 6.800E-18 0.290\n205.0 5.200E-18 0.290\n210.0 3.610E-18 0.290\n215.0 2.920E-18 0.290\n220.0 2.560E-18 0.290\n225.0 2.300E-18 0.290\n230.0 2.050E-18 0.290\n235.0 1.750E-18 0.290\n240.0 1.400E-18 0.290\n245.0 1.060E-18 0.290\n250.0 7.970E-19 0.290\n255.0 6.000E-19 0.290\n260.0 4.710E-19 0.290\n265.0 3.890E-19 0.290\n270.0 3.380E-19 0.290\n275.0 3.050E-19 0.290\n280.0 2.790E-19 0.290\n285.0 2.560E-19 0.290\n290.0 2.320E-19 0.290\n295.0 2.080E-19 0.290\n300.0 1.860E-19 0.290\n305.0 1.650E-19 0.290\n310.0 1.450E-19 0.290\n315.0 1.270E-19 0.290\n320.0 1.130E-19 0.290\n325.0 1.020E-19 0.290\n330.0 9.320E-20 0.290\n335.0 8.620E-20 0.290\n340.0 8.060E-20 0.290\n345.0 7.570E-20 0.290\n350.0 7.010E-20 0.290\n355.0 6.520E-20 0.290\n360.0 5.990E-20 0.290\n365.0 5.430E-20 0.290\n370.0 4.890E-20 0.290\n375.0 4.350E-20 0.290\n380.0 3.850E-20 0.290\n385.0 3.370E-20 0.290\n390.0 2.970E-20 0.290\n395.0 2.590E-20 0.290\n400.0 2.280E-20 0.290\n405.0 2.010E-20 0.290\n410.0 1.810E-20 0.290\n415.0 1.650E-20 0.290\n420.0 1.500E-20 0.290\n425.0 1.380E-20 0.290\n430.0 1.290E-20 0.290\n435.0 1.200E-20 0.290\n440.0 1.110E-20 0.290\n445.0 1.030E-20 0.290\n450.0 9.280E-21 0.290\n455.0 8.310E-21 0.290\n460.0 7.420E-21 0.290\n465.0 6.520E-21 0.290\n470.0 5.660E-21 0.290\n475.0 4.610E-21 0.290\n480.0 3.920E-21 0.290\n485.0 3.970E-21 0.290\n490.0 2.490E-21 0.290\n495.0 2.070E-21 0.290\n500.0 1.500E-21 0.290" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/BRONO2_R_IUPAC10", "content": "BRONO2_R_IUPAC10\n! BRONO2 + HV = BR + NO3\n! BRONO2_R_IUPAC10 Photolysis data (QY taken from Yang et al., 2005) \n! Supplied by Brett Gantt\n! Created from IUPAC dataset\nPoints (these data can be treated as point values)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n200.0 6.800E-18 0.290\n205.0 5.200E-18 0.290\n210.0 3.610E-18 0.290\n215.0 2.920E-18 0.290\n220.0 2.560E-18 0.290\n225.0 2.300E-18 0.290\n230.0 2.050E-18 0.290\n235.0 1.750E-18 0.290\n240.0 1.400E-18 0.290\n245.0 1.060E-18 0.290\n250.0 7.970E-19 0.290\n255.0 6.000E-19 0.290\n260.0 4.710E-19 0.290\n265.0 3.890E-19 0.290\n270.0 3.380E-19 0.290\n275.0 3.050E-19 0.290\n280.0 2.790E-19 0.290\n285.0 2.560E-19 0.290\n290.0 2.320E-19 0.290\n295.0 2.080E-19 0.290\n300.0 1.860E-19 0.290\n305.0 1.650E-19 0.290\n310.0 1.450E-19 0.290\n315.0 1.270E-19 0.290\n320.0 1.130E-19 0.290\n325.0 1.020E-19 0.290\n330.0 9.320E-20 0.290\n335.0 8.620E-20 0.290\n340.0 8.060E-20 0.290\n345.0 7.570E-20 0.290\n350.0 7.010E-20 0.290\n355.0 6.520E-20 0.290\n360.0 5.990E-20 0.290\n365.0 5.430E-20 0.290\n370.0 4.890E-20 0.290\n375.0 4.350E-20 0.290\n380.0 3.850E-20 0.290\n385.0 3.370E-20 0.290\n390.0 2.970E-20 0.290\n395.0 2.590E-20 0.290\n400.0 2.280E-20 0.290\n405.0 2.010E-20 0.290\n410.0 1.810E-20 0.290\n415.0 1.650E-20 0.290\n420.0 1.500E-20 0.290\n425.0 1.380E-20 0.290\n430.0 1.290E-20 0.290\n435.0 1.200E-20 0.290\n440.0 1.110E-20 0.290\n445.0 1.030E-20 0.290\n450.0 9.280E-21 0.290\n455.0 8.310E-21 0.290\n460.0 7.420E-21 0.290\n465.0 6.520E-21 0.290\n470.0 5.660E-21 0.290\n475.0 4.610E-21 0.290\n480.0 3.920E-21 0.290\n485.0 3.970E-21 0.290\n490.0 2.490E-21 0.290\n495.0 2.070E-21 0.290\n500.0 1.500E-21 0.290" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/BRONO2_R_IUPAC2014", "content": "BRONO2_R\n! BRONO2 + HV = BR + NO3\n! BRONO2_R Photolysis data \n! Supplied by Brett Gantt\n! Created from IUPAC dataset 3-Mar-2014 10:00\nPoints (These data can be treated as point values)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n200.0 6.800E-18 0.290\n205.0 5.200E-18 0.290\n210.0 3.610E-18 0.290\n215.0 2.920E-18 0.290\n220.0 2.560E-18 0.290\n225.0 2.300E-18 0.290\n230.0 2.050E-18 0.290\n235.0 1.750E-18 0.290\n240.0 1.400E-18 0.290\n245.0 1.060E-18 0.290\n250.0 7.970E-19 0.290\n255.0 6.000E-19 0.290\n260.0 4.710E-19 0.290\n265.0 3.890E-19 0.290\n270.0 3.380E-19 0.290\n275.0 3.050E-19 0.290\n280.0 2.790E-19 0.290\n285.0 2.560E-19 0.290\n290.0 2.320E-19 0.290\n295.0 2.080E-19 0.290\n300.0 1.860E-19 0.290\n305.0 1.650E-19 0.290\n310.0 1.450E-19 0.290\n315.0 1.270E-19 0.290\n320.0 1.130E-19 0.290\n325.0 1.020E-19 0.290\n330.0 9.320E-20 0.290\n335.0 8.620E-20 0.290\n340.0 8.060E-20 0.290\n345.0 7.570E-20 0.290\n350.0 7.010E-20 0.290\n355.0 6.520E-20 0.290\n360.0 5.990E-20 0.290\n365.0 5.430E-20 0.290\n370.0 4.890E-20 0.290\n375.0 4.350E-20 0.290\n380.0 3.850E-20 0.290\n385.0 3.370E-20 0.290\n390.0 2.970E-20 0.290\n395.0 2.590E-20 0.290\n400.0 2.280E-20 0.290\n405.0 2.010E-20 0.290\n410.0 1.810E-20 0.290\n415.0 1.650E-20 0.290\n420.0 1.500E-20 0.290\n425.0 1.380E-20 0.290\n430.0 1.290E-20 0.290\n435.0 1.200E-20 0.290\n440.0 1.110E-20 0.290\n445.0 1.030E-20 0.290\n450.0 9.280E-21 0.290\n455.0 8.310E-21 0.290\n460.0 7.420E-21 0.290\n465.0 6.520E-21 0.290\n470.0 5.660E-21 0.290\n475.0 4.610E-21 0.290\n480.0 3.920E-21 0.290\n485.0 3.970E-21 0.290\n490.0 2.490E-21 0.290\n495.0 2.070E-21 0.290\n500.0 1.500E-21 0.290\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/BRO_IUPAC10", "content": "BRO_IUPAC10\n! BRO + HV = BR + O\n! BRO Photolysis data (QY from Parrella et al., 2012) \n! Supplied by Brett Gantt \n! Created from IUPAC dataset\nPoints (these data can be treated as point values)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n302.0 2.000E-18 1.000\n307.0 2.590E-18 1.000\n312.0 4.540E-18 1.000\n317.0 3.910E-18 1.000\n322.0 6.000E-18 1.000\n327.0 7.530E-18 1.000\n332.0 6.280E-18 1.000\n337.0 5.890E-18 1.000\n342.0 5.150E-18 1.000\n347.0 3.990E-18 1.000\n352.0 2.280E-18 1.000\n357.0 1.720E-18 1.000\n362.0 1.610E-18 1.000\n367.0 9.200E-19 1.000\n372.0 5.100E-19 1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/BRO_IUPAC14", "content": "BRO_IUPAC14 \n! BRO + HV = BR + O\n! BRO Photolysis data \n! Supplied by Brett Gantt\n! Created from IUPAC dataset 3-Mar-2014 10:00\nPoints (These data can be treated as point values)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n302.0 2.000E-18 1.000\n307.0 2.590E-18 1.000\n312.0 4.540E-18 1.000\n317.0 3.910E-18 1.000\n322.0 6.000E-18 1.000\n327.0 7.530E-18 1.000\n332.0 6.280E-18 1.000\n337.0 5.890E-18 1.000\n342.0 5.150E-18 1.000\n347.0 3.990E-18 1.000\n352.0 2.280E-18 1.000\n357.0 1.720E-18 1.000\n362.0 1.610E-18 1.000\n367.0 9.200E-19 1.000\n372.0 5.100E-19 1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/BRO_IUPAC2014", "content": "BRO\n! BRO + HV = BR + O\n! BRO Photolysis data \n! Supplied by Brett Gantt\n! Created from IUPAC dataset 3-Mar-2014 10:00\nPoints (These data can be treated as point values)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n302.0 2.000E-18 1.000\n307.0 2.590E-18 1.000\n312.0 4.540E-18 1.000\n317.0 3.910E-18 1.000\n322.0 6.000E-18 1.000\n327.0 7.530E-18 1.000\n332.0 6.280E-18 1.000\n337.0 5.890E-18 1.000\n342.0 5.150E-18 1.000\n347.0 3.990E-18 1.000\n352.0 2.280E-18 1.000\n357.0 1.720E-18 1.000\n362.0 1.610E-18 1.000\n367.0 9.200E-19 1.000\n372.0 5.100E-19 1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/BZCHO_SAPRC99", "content": "BZCHO\n! Benzaldehyde absorbtion coefs in n-Hexane\n! SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\n! Created from PhotDat.xls on 29-Jan-2000 10:07\nPoints (the mechanism was evaluated assuming this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n299.0 1.776E-19 1.000\n304.0 7.400E-20 1.000\n306.0 6.910E-20 1.000\n309.0 6.410E-20 1.000\n313.0 6.910E-20 1.000\n314.0 6.910E-20 1.000\n318.0 6.410E-20 1.000\n325.0 8.390E-20 1.000\n332.0 7.650E-20 1.000\n338.0 8.880E-20 1.000\n342.0 8.880E-20 1.000\n346.0 7.890E-20 1.000\n349.0 7.890E-20 1.000\n354.0 9.130E-20 1.000\n355.0 8.140E-20 1.000\n364.0 5.670E-20 1.000\n368.0 6.660E-20 1.000\n369.0 8.390E-20 1.000\n370.0 8.390E-20 1.000\n372.0 3.450E-20 1.000\n374.0 3.210E-20 1.000\n376.0 2.470E-20 1.000\n377.0 2.470E-20 1.000\n380.0 3.580E-20 1.000\n382.0 9.900E-21 1.000\n386.0 0.000E+00 1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/C2CHO", "content": "C2CHO \n! C2CHO + HV = C2H5. + CHO. \n! IUPAC (1997) \nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n294.0 5.800E-20 0.8900\n295.0 5.570E-20 0.8850\n296.0 5.370E-20 0.8800\n297.0 5.160E-20 0.8750\n298.0 5.020E-20 0.8700\n299.0 5.020E-20 0.8650\n300.0 5.040E-20 0.8600\n301.0 5.090E-20 0.8550\n302.0 5.070E-20 0.8500\n303.0 4.940E-20 0.8180\n304.0 4.690E-20 0.7860\n305.0 4.320E-20 0.7550\n306.0 4.040E-20 0.7230\n307.0 3.810E-20 0.6910\n308.0 3.650E-20 0.6590\n309.0 3.620E-20 0.6270\n310.0 3.600E-20 0.5960\n311.0 3.530E-20 0.5640\n312.0 3.500E-20 0.5320\n313.0 3.320E-20 0.5000\n314.0 3.060E-20 0.4800\n315.0 2.770E-20 0.4600\n316.0 2.430E-20 0.4400\n317.0 2.180E-20 0.4200\n318.0 2.000E-20 0.4000\n319.0 1.860E-20 0.3800\n320.0 1.830E-20 0.3600\n321.0 1.780E-20 0.3400\n322.0 1.660E-20 0.3200\n323.0 1.580E-20 0.3000\n324.0 1.490E-20 0.2800\n325.0 1.300E-20 0.2600\n326.0 1.130E-20 0.2480\n327.0 9.960E-21 0.2360\n328.0 8.280E-21 0.2230\n329.0 6.850E-21 0.2110\n330.0 5.750E-21 0.1990\n331.0 4.940E-21 0.1870\n332.0 4.660E-21 0.1740\n333.0 4.300E-21 0.1620\n334.0 3.730E-21 0.1500\n335.0 3.250E-21 0.1330\n336.0 2.800E-21 0.1170\n337.0 2.300E-21 0.1000\n338.0 1.850E-21 0.0830\n339.0 1.660E-21 0.0670\n340.0 1.550E-21 0.0500\n341.0 1.190E-21 0.0330\n342.0 7.600E-22 0.0170\n343.0 4.500E-22 0.0000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/C2CHO_R_MCMv32", "content": "C2CHO_R_MCMv32\n!C2H5CHO:Propionaldehyde (298K and 1 bar) photolysis quantum yields (C2H5 + HCO) \n!C2H5CHO --> C2H5 + HCO \n!Chen and Zhu J. (2001). The Wavelength Dependence of the Photodissociation of Propionaldehyde in the\n!280-330 nm Region, Phys. Chem. A., 105, 9689-9696.\n!\n!Cross-Section recommended by IUPAC 2002 that gives no preferred quantum yields\n!http://iupac.pole-ether.fr/htdocs/datasheets/pdf/P3_C2H5CHO+hv.pdf\n!\n!\n!J14 in MCM v3.2:C2H5CHO-> C2H5 + HCO \n!wvl(nm) XC(cm^2) qy_hco\nPoints \n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n280.0 5.16E-20 0.850\n285.0 5.86E-20 1.000\n290.0 5.56E-20 0.950\n295.0 5.57E-20 0.980\n300.0 5.04E-20 0.920\n305.0 4.32E-20 0.950\n310.0 3.60E-20 0.980\n315.0 2.77E-20 0.910\n320.0 1.83E-20 1.000\n325.0 1.30E-20 1.000\n330.0 5.75E-21 0.840\n335.0 3.25E-21 0.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/C2CHO_SAPRC99", "content": "C2CHO\n! C2CHO + HV = C2H5. + CHO.\n! SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\n! Created from PhotDat.xls on 29-Jan-2000 10:07\nPoints (the mechanism was evaluated assuming this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n294.0 5.800E-20 0.890\n295.0 5.570E-20 0.885\n296.0 5.370E-20 0.880\n297.0 5.160E-20 0.875\n298.0 5.020E-20 0.870\n299.0 5.020E-20 0.865\n300.0 5.040E-20 0.860\n301.0 5.090E-20 0.855\n302.0 5.070E-20 0.850\n303.0 4.940E-20 0.818\n304.0 4.690E-20 0.786\n305.0 4.320E-20 0.755\n306.0 4.040E-20 0.723\n307.0 3.810E-20 0.691\n308.0 3.650E-20 0.659\n309.0 3.620E-20 0.627\n310.0 3.600E-20 0.596\n311.0 3.530E-20 0.564\n312.0 3.500E-20 0.532\n313.0 3.320E-20 0.500\n314.0 3.060E-20 0.480\n315.0 2.770E-20 0.460\n316.0 2.430E-20 0.440\n317.0 2.180E-20 0.420\n318.0 2.000E-20 0.400\n319.0 1.860E-20 0.380\n320.0 1.830E-20 0.360\n321.0 1.780E-20 0.340\n322.0 1.660E-20 0.320\n323.0 1.580E-20 0.300\n324.0 1.490E-20 0.280\n325.0 1.300E-20 0.260\n326.0 1.130E-20 0.248\n327.0 9.960E-21 0.236\n328.0 8.280E-21 0.223\n329.0 6.850E-21 0.211\n330.0 5.750E-21 0.199\n331.0 4.940E-21 0.187\n332.0 4.660E-21 0.174\n333.0 4.300E-21 0.162\n334.0 3.730E-21 0.150\n335.0 3.250E-21 0.133\n336.0 2.800E-21 0.117\n337.0 2.300E-21 0.100\n338.0 1.850E-21 0.083\n339.0 1.660E-21 0.067\n340.0 1.550E-21 0.050\n341.0 1.190E-21 0.033\n342.0 7.600E-22 0.017\n343.0 4.500E-22 0.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/CCHO_R", "content": "CCHO_R \n! CCHO + HV = CH3 + CHO \n! IUPAC (1997) \nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n256.0 1.759E-20 0.300\n258.0 1.994E-20 0.305\n262.0 2.440E-20 0.3260\n266.0 3.050E-20 0.3580\n270.0 3.420E-20 0.3900\n274.0 4.030E-20 0.4660\n278.0 4.190E-20 0.5420\n280.0 4.500E-20 0.5800\n281.0 4.690E-20 0.5750\n282.0 4.720E-20 0.5700\n283.0 4.750E-20 0.5650\n284.0 4.610E-20 0.5600\n285.0 4.490E-20 0.5550\n286.0 4.440E-20 0.5500\n287.0 4.590E-20 0.5450\n288.0 4.720E-20 0.5400\n289.0 4.770E-20 0.5350\n290.0 4.890E-20 0.5300\n291.0 4.780E-20 0.5200\n292.0 4.680E-20 0.5100\n293.0 4.530E-20 0.5000\n294.0 4.330E-20 0.4900\n295.0 4.270E-20 0.4800\n296.0 4.240E-20 0.4700\n297.0 4.380E-20 0.4600\n298.0 4.410E-20 0.4500\n299.0 4.260E-20 0.4400\n300.0 4.160E-20 0.4300\n301.0 3.990E-20 0.4180\n302.0 3.860E-20 0.4060\n303.0 3.720E-20 0.3940\n304.0 3.480E-20 0.3820\n305.0 3.420E-20 0.3700\n306.0 3.420E-20 0.3540\n307.0 3.360E-20 0.3380\n308.0 3.330E-20 0.3220\n309.0 3.140E-20 0.3060\n310.0 2.930E-20 0.2900\n311.0 2.760E-20 0.2660\n312.0 2.530E-20 0.2420\n313.0 2.470E-20 0.2180\n314.0 2.440E-20 0.1940\n315.0 2.200E-20 0.1700\n316.0 2.040E-20 0.1560\n317.0 2.070E-20 0.1420\n318.0 1.980E-20 0.1280\n319.0 1.870E-20 0.1140\n320.0 1.720E-20 0.1000\n321.0 1.480E-20 0.0880\n322.0 1.400E-20 0.0760\n323.0 1.240E-20 0.0640\n324.0 1.090E-20 0.0520\n325.0 1.140E-20 0.0400\n326.0 1.070E-20 0.0320\n327.0 8.580E-21 0.0240\n328.0 7.470E-21 0.0160\n329.0 7.070E-21 0.0080\n330.0 6.670E-21 0.0000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/CCHO_R1_MCMv32", "content": "CCHO_R1_MCMv32\n!CH3CHO photolysis at 298K and 1 atm \n!\n!CH3CHO --> CH3+HCO \n!Both XC and QY taken from \n!http://iupac.pole-ether.fr/htdocs/datasheets/pdf/P2_CH3CHO+hv.pdf \n!that was dated June 2013 \n! \n!XC from \n! Martinez, R. D. , Buitrago, A. A., Howell, N. W., Hearn, C. H., and Joens, J. A.,\n! Atmos. Environ. 26A, 785 1992. \n!QY from \n! Moortgat, G.K., Meyrahn, H. and Warneck, P., Chem.Phys.Chem., 11, 3896, 2010 \n!Notes: \n!(1)QY values are not interpolated over wavelength of measure XC values ans QY for\n! CH3CO+H also give as supplementary data \n!(2)Number density correction available from Warneck, P. and Moortgat, G.K., Atmos. \n! Environ., 62, 153, 2012.\n!\n!WVL(nm),XC(cm2),CH3+HCO,CH3CO+H\nPoints \n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n256.0 1.759E-20 0.120 0.300\n258.0 1.994E-20 0.115 0.305\n262.0 2.440E-20 0.310 0.110\n266.0 3.050E-20 0.350 0.100\n270.0 3.420E-20 0.410 0.100\n274.0 4.030E-20 0.410 0.100\n278.0 4.190E-20 0.510 0.090\n280.0 4.500E-20 0.590 0.090\n281.0 4.690E-20 0.590 0.090\n282.0 4.720E-20 0.590 0.090\n283.0 4.750E-20 0.590 0.090\n284.0 4.610E-20 0.590 0.090\n285.0 4.490E-20 0.580 0.080\n286.0 4.440E-20 0.580 0.080\n287.0 4.590E-20 0.580 0.080\n288.0 4.720E-20 0.580 0.080\n289.0 4.770E-20 0.580 0.080\n290.0 4.890E-20 0.550 0.070\n291.0 4.780E-20 0.550 0.070\n292.0 4.680E-20 0.550 0.070\n293.0 4.530E-20 0.550 0.070\n294.0 4.330E-20 0.550 0.070\n295.0 4.270E-20 0.500 0.070\n296.0 4.240E-20 0.500 0.070\n297.0 4.380E-20 0.500 0.070\n298.0 4.410E-20 0.500 0.070\n299.0 4.260E-20 0.500 0.070\n300.0 4.160E-20 0.440 0.060\n301.0 3.990E-20 0.440 0.060\n302.0 3.860E-20 0.440 0.060\n303.0 3.720E-20 0.440 0.060\n304.0 3.480E-20 0.440 0.060\n305.0 3.420E-20 0.360 0.060\n306.0 3.420E-20 0.360 0.060\n307.0 3.360E-20 0.360 0.060\n308.0 3.330E-20 0.360 0.060\n309.0 3.140E-20 0.360 0.060\n310.0 2.930E-20 0.280 0.040\n311.0 2.760E-20 0.280 0.040\n312.0 2.530E-20 0.280 0.040\n313.0 2.470E-20 0.280 0.040\n314.0 2.440E-20 0.280 0.040\n315.0 2.200E-20 0.180 0.020\n316.0 2.040E-20 0.180 0.020\n317.0 2.070E-20 0.180 0.020\n318.0 1.979E-20 0.180 0.020\n319.0 1.874E-20 0.180 0.020\n320.0 1.723E-20 0.090 0.010\n321.0 1.484E-20 0.090 0.010\n322.0 1.402E-20 0.090 0.010\n323.0 1.244E-20 0.090 0.010\n324.0 1.091E-20 0.090 0.010\n325.0 1.136E-20 0.040 0.000\n326.0 1.074E-20 0.040 0.000\n327.0 8.580E-21 0.040 0.000\n328.0 7.470E-21 0.040 0.000\n329.0 7.070E-21 0.040 0.000\n330.0 6.880E-21 0.010 0.000\n331.0 5.880E-21 0.010 0.000\n332.0 5.300E-21 0.010 0.000\n333.0 3.980E-21 0.010 0.000\n334.0 3.630E-21 0.010 0.000\n335.0 3.500E-21 0.000 0.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/CCHO_R2_MCMv32", "content": "CCHO_R2_MCMv32\n!CH3CHO photolysis at 298K and 1 atm \n!\n!CH3CHO --> CH3CO+H \n!Both XC and QY taken from \n!http://iupac.pole-ether.fr/htdocs/datasheets/pdf/P2_CH3CHO+hv.pdf \n!that was dated June 2013 \n! \n!XC from \n! Martinez, R. D. , Buitrago, A. A., Howell, N. W., Hearn, C. H., and Joens, J. A.,\n! Atmos. Environ. 26A, 785 1992. \n!QY from \n! Moortgat, G.K., Meyrahn, H. and Warneck, P., Chem.Phys.Chem., 11, 3896, 2010 \n!Notes: \n!(1)QY values are not interpolated over wavelength of measure XC values ans QY for\n! CH3CO+H also give as supplementary data \n!(2)Number density correction available from Warneck, P. and Moortgat, G.K., Atmos. \n! Environ., 62, 153, 2012.\n!\n!WVL(nm),XC(cm2),CH3CO+H,CH3+HCO,\nPoints \n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n256.0 1.759E-20 0.120 0.300\n258.0 1.994E-20 0.115 0.305\n262.0 2.440E-20 0.110 0.310\n266.0 3.050E-20 0.100 0.350\n270.0 3.420E-20 0.100 0.410\n274.0 4.030E-20 0.100 0.410\n278.0 4.190E-20 0.090 0.510\n280.0 4.500E-20 0.090 0.590\n281.0 4.690E-20 0.090 0.590\n282.0 4.720E-20 0.090 0.590\n283.0 4.750E-20 0.090 0.590\n284.0 4.610E-20 0.090 0.590\n285.0 4.490E-20 0.080 0.580\n286.0 4.440E-20 0.080 0.580\n287.0 4.590E-20 0.080 0.580\n288.0 4.720E-20 0.080 0.580\n289.0 4.770E-20 0.080 0.580\n290.0 4.890E-20 0.070 0.550\n291.0 4.780E-20 0.070 0.550\n292.0 4.680E-20 0.070 0.550\n293.0 4.530E-20 0.070 0.550\n294.0 4.330E-20 0.070 0.550\n295.0 4.270E-20 0.070 0.500\n296.0 4.240E-20 0.070 0.500\n297.0 4.380E-20 0.070 0.500\n298.0 4.410E-20 0.070 0.500\n299.0 4.260E-20 0.070 0.500\n300.0 4.160E-20 0.060 0.440\n301.0 3.990E-20 0.060 0.440\n302.0 3.860E-20 0.060 0.440\n303.0 3.720E-20 0.060 0.440\n304.0 3.480E-20 0.060 0.440\n305.0 3.420E-20 0.060 0.360\n306.0 3.420E-20 0.060 0.360\n307.0 3.360E-20 0.060 0.360\n308.0 3.330E-20 0.060 0.360\n309.0 3.140E-20 0.060 0.360\n310.0 2.930E-20 0.040 0.280\n311.0 2.760E-20 0.040 0.280\n312.0 2.530E-20 0.040 0.280\n313.0 2.470E-20 0.040 0.280\n314.0 2.440E-20 0.040 0.280\n315.0 2.200E-20 0.020 0.180\n316.0 2.040E-20 0.020 0.180\n317.0 2.070E-20 0.020 0.180\n318.0 1.979E-20 0.020 0.180\n319.0 1.874E-20 0.020 0.180\n320.0 1.723E-20 0.010 0.090\n321.0 1.484E-20 0.010 0.090\n322.0 1.402E-20 0.010 0.090\n323.0 1.244E-20 0.010 0.090\n324.0 1.091E-20 0.010 0.090\n325.0 1.136E-20 0.000 0.040\n326.0 1.074E-20 0.000 0.040\n327.0 8.580E-21 0.000 0.040\n328.0 7.470E-21 0.000 0.040\n329.0 7.070E-21 0.000 0.040\n330.0 6.880E-21 0.000 0.010\n331.0 5.880E-21 0.000 0.010\n332.0 5.300E-21 0.000 0.010\n333.0 3.980E-21 0.000 0.010\n334.0 3.630E-21 0.000 0.010\n335.0 3.500E-21 0.000 0.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/CCHO_R_SAPRC99", "content": "CCHO_R\n! CCHO + HV = CH3 + CHO\n! SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\n! Created from PhotDat.xls on 29-Jan-2000 10:07\nPoints (the mechanism was evaluated assuming this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n256.0 1.759E-20 0.300\n258.0 1.994E-20 0.305\n262.0 2.440E-20 0.326\n266.0 3.050E-20 0.358\n270.0 3.420E-20 0.390\n274.0 4.030E-20 0.466\n278.0 4.190E-20 0.542\n280.0 4.500E-20 0.580\n281.0 4.690E-20 0.575\n282.0 4.720E-20 0.570\n283.0 4.750E-20 0.565\n284.0 4.610E-20 0.560\n285.0 4.490E-20 0.555\n286.0 4.440E-20 0.550\n287.0 4.590E-20 0.545\n288.0 4.720E-20 0.540\n289.0 4.770E-20 0.535\n290.0 4.890E-20 0.530\n291.0 4.780E-20 0.520\n292.0 4.680E-20 0.510\n293.0 4.530E-20 0.500\n294.0 4.330E-20 0.490\n295.0 4.270E-20 0.480\n296.0 4.240E-20 0.470\n297.0 4.380E-20 0.460\n298.0 4.410E-20 0.450\n299.0 4.260E-20 0.440\n300.0 4.160E-20 0.430\n301.0 3.990E-20 0.418\n302.0 3.860E-20 0.406\n303.0 3.720E-20 0.394\n304.0 3.480E-20 0.382\n305.0 3.420E-20 0.370\n306.0 3.420E-20 0.354\n307.0 3.360E-20 0.338\n308.0 3.330E-20 0.322\n309.0 3.140E-20 0.306\n310.0 2.930E-20 0.290\n311.0 2.760E-20 0.266\n312.0 2.530E-20 0.242\n313.0 2.470E-20 0.218\n314.0 2.440E-20 0.194\n315.0 2.200E-20 0.170\n316.0 2.040E-20 0.156\n317.0 2.070E-20 0.142\n318.0 1.980E-20 0.128\n319.0 1.870E-20 0.114\n320.0 1.720E-20 0.100\n321.0 1.480E-20 0.088\n322.0 1.400E-20 0.076\n323.0 1.240E-20 0.064\n324.0 1.090E-20 0.052\n325.0 1.140E-20 0.040\n326.0 1.070E-20 0.032\n327.0 8.580E-21 0.024\n328.0 7.470E-21 0.016\n329.0 7.070E-21 0.008\n330.0 6.670E-21 0.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/CH3CHO_RACM2", "content": "CH3CHO_RACM2\n! ACD + HV = MO2 + HO2 + CO\n! Absorption x-section from NASA - 2006 \n! Quantum yield from NASA - 2006 \n! Supplied by Dr. Wendy Goliff, reformatted by Dr. Golam Sarwar to make it compatible with CMAQ\nPoints \n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n186.1 0.000E+00 0.000\n187.8 0.000E+00 0.000\n189.6 0.000E+00 0.000\n191.4 0.000E+00 0.000\n193.3 0.000E+00 0.000\n195.2 0.000E+00 0.000\n197.1 0.000E+00 0.000\n199.0 0.000E+00 0.000\n201.0 0.000E+00 0.000\n203.1 0.552E-21 0.000\n205.2 0.536E-21 0.000\n207.3 0.517E-21 0.000\n209.4 0.496E-21 0.000\n211.7 0.486E-21 0.000\n213.9 0.480E-21 0.000\n216.2 0.502E-21 0.000\n218.6 0.540E-21 0.000\n221.0 0.618E-21 0.000\n223.5 0.766E-21 0.000\n226.0 0.960E-21 0.000\n228.6 0.132E-20 0.000\n231.3 0.180E-20 0.000\n234.0 0.241E-20 0.000\n236.7 0.331E-20 0.000\n239.6 0.481E-20 0.000\n242.5 0.651E-20 0.000\n245.4 0.850E-20 0.000\n248.5 0.107E-19 0.000\n251.6 0.134E-19 0.000\n254.8 0.166E-19 0.000\n258.2 0.205E-19 0.300\n261.5 0.240E-19 0.320\n265.0 0.291E-19 0.350\n268.5 0.326E-19 0.387\n272.2 0.374E-19 0.444\n275.9 0.409E-19 0.530\n279.8 0.430E-19 0.580\n283.7 0.462E-19 0.590\n287.8 0.466E-19 0.560\n292.0 0.466E-19 0.520\n296.3 0.428E-19 0.470\n300.5 0.406E-19 0.423\n303.0 0.370E-19 0.390\n304.0 0.346E-19 0.380\n305.0 0.343E-19 0.365\n306.0 0.341E-19 0.350\n307.0 0.336E-19 0.330\n308.0 0.331E-19 0.310\n309.0 0.311E-19 0.295\n310.0 0.292E-19 0.280\n311.0 0.273E-19 0.260\n312.0 0.252E-19 0.240\n313.0 0.247E-19 0.215\n314.0 0.238E-19 0.190\n316.0 0.207E-19 0.150\n320.0 0.170E-19 0.100\n325.0 0.115E-19 0.040\n330.0 0.699E-20 0.010\n335.0 0.350E-20 0.000\n340.0 0.135E-20 0.000\n345.0 0.210E-21 0.000\n350.0 0.774E-22 0.000\n355.0 0.500E-22 0.000\n360.0 0.275E-22 0.000\n365.0 0.000E+00 0.000\n370.0 0.000E+00 0.000\n375.0 0.000E+00 0.000\n380.0 0.000E+00 0.000\n385.0 0.000E+00 0.000\n390.0 0.000E+00 0.000\n395.0 0.000E+00 0.000\n400.0 0.000E+00 0.000\n405.0 0.000E+00 0.000\n410.0 0.000E+00 0.000\n415.0 0.000E+00 0.000\n420.0 0.000E+00 0.000\n425.0 0.000E+00 0.000\n430.0 0.000E+00 0.000\n435.0 0.000E+00 0.000\n440.0 0.000E+00 0.000\n445.0 0.000E+00 0.000\n450.0 0.000E+00 0.000\n455.0 0.000E+00 0.000\n460.0 0.000E+00 0.000\n465.0 0.000E+00 0.000\n470.0 0.000E+00 0.000\n475.0 0.000E+00 0.000\n480.0 0.000E+00 0.000\n485.0 0.000E+00 0.000\n490.0 0.000E+00 0.000\n495.0 0.000E+00 0.000\n500.0 0.000E+00 0.000\n505.0 0.000E+00 0.000\n510.0 0.000E+00 0.000\n515.0 0.000E+00 0.000\n520.0 0.000E+00 0.000\n525.0 0.000E+00 0.000\n530.0 0.000E+00 0.000\n535.0 0.000E+00 0.000\n540.0 0.000E+00 0.000\n545.0 0.000E+00 0.000\n550.0 0.000E+00 0.000\n555.0 0.000E+00 0.000\n560.0 0.000E+00 0.000\n565.0 0.000E+00 0.000\n570.0 0.000E+00 0.000\n575.0 0.000E+00 0.000\n580.0 0.000E+00 0.000\n585.0 0.000E+00 0.000\n590.0 0.000E+00 0.000\n595.0 0.000E+00 0.000\n600.0 0.000E+00 0.000\n605.0 0.000E+00 0.000\n610.0 0.000E+00 0.000\n615.0 0.000E+00 0.000\n620.0 0.000E+00 0.000\n625.0 0.000E+00 0.000\n630.0 0.000E+00 0.000\n635.0 0.000E+00 0.000\n640.0 0.000E+00 0.000\n644.8 0.000E+00 0.000\n651.0 0.000E+00 0.000\n660.0 0.000E+00 0.000\n670.0 0.000E+00 0.000\n680.0 0.000E+00 0.000\n690.0 0.000E+00 0.000\n700.0 0.000E+00 0.000\n710.0 0.000E+00 0.000\n720.0 0.000E+00 0.000\n730.0 0.000E+00 0.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/CH3COCH3A_JPL19", "content": "CH3COCH3A_JPL19\n! ACT + HV = ACO3 + MO2\n! Source: Chemical Kinetics and Photochemical Data for Use in Atmospheric Studies, Evaluation No.\n! 19,\" JPL Publication 19-5, Jet Propulsion Laboratory, Pasadena,\n! 2019 http://jpldataeval.jpl.nasa.gov\n! Absorption x-section from JPL-19/Acetone 298K (Table 4D-27-1)\n! 1)Gierczak, T.; Burkholder, J. B.; Bauerle, S.; Ravishankara, A. R. Photochemisty of acetone under\n! atmospheric conditions. Chem. Phys. 1998, 231, 229-244, doi:10.1016/S0301-0104(98)00006-8.\n! 2)Burkholder, J. B., personal communication to the NASA JPL Panel.\n! Quantum yield - JPL-19/Acetone 295K and 1 atm for channel producing ACO3 + MO2\n! Blitz, M. A., Heard, D. E., Pilling, M. J., Arnold S. R. and M. Chipperfield, Geophys. Res. Lett.\n! L06111, doi:10.1029/2003GL018793, 2004.\n! Supplied by Drs. William Stockwell and Emily Saunders, reformatted by Dr. Golam Sarwar to make it compatible with CMAQ\n! \nPoints \n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n279\t4.92E-20\t0.4323\n280\t4.91E-20\t0.4231\n281\t4.86E-20\t0.4134\n282\t4.79E-20\t0.4033\n283\t4.71E-20\t0.3928\n284\t4.62E-20\t0.3820\n285\t4.54E-20\t0.3710\n286\t4.44E-20\t0.3598\n287\t4.36E-20\t0.3485\n288\t4.28E-20\t0.3371\n289\t4.15E-20\t0.3257\n290\t4.06E-20\t0.3144\n291\t3.95E-20\t0.3031\n292\t3.82E-20\t0.2919\n293\t3.71E-20\t0.2808\n294\t3.57E-20\t0.2699\n295\t3.42E-20\t0.2593\n296\t3.26E-20\t0.2488\n297\t3.11E-20\t0.2386\n298\t2.98E-20\t0.2287\n299\t2.82E-20\t0.2190\n300\t2.67E-20\t0.2096\n301\t2.58E-20\t0.2005\n302\t2.45E-20\t0.1917\n303\t2.30E-20\t0.1705\n304\t2.18E-20\t0.1446\n305\t2.05E-20\t0.1221\n306\t1.89E-20\t0.1027\n307\t1.75E-20\t0.0861\n308\t1.61E-20\t0.0720\n309\t1.49E-20\t0.0602\n310\t1.36E-20\t0.0502\n311\t1.24E-20\t0.0419\n312\t1.14E-20\t0.0350\n313\t1.06E-20\t0.0292\n314\t9.44E-21\t0.0244\n315\t8.37E-21\t0.0204\n316\t7.60E-21\t0.0171\n317\t6.84E-21\t0.0144\n318\t5.98E-21\t0.0121\n319\t5.23E-21\t0.0102\n320\t4.55E-21\t0.0086\n321\t4.11E-21\t0.0073\n322\t3.48E-21\t0.0061\n323\t2.94E-21\t0.0052\n324\t2.48E-21\t0.0044\n325\t2.10E-21\t0.0038\n326\t1.74E-21\t0.0032\n327\t1.41E-21\t0.0027\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/CH3COCH3B_JPL19", "content": "CH3COCH3B_JPL19\n! ACT + HV = 2.0*MO2 + CO\n! Source: Chemical Kinetics and Photochemical Data for Use in Atmospheric Studies, Evaluation No. \n! 19,\" JPL Publication 19-5, Jet Propulsion Laboratory, Pasadena, \n! 2019 http://jpldataeval.jpl.nasa.gov\n! Absorption x-section from JPL-19/Acetone 298K (Table 4D-27-1)\n! 1)Gierczak, T.; Burkholder, J. B.; Bauerle, S.; Ravishankara, A. R. Photochemisty of acetone under\n! atmospheric conditions. Chem. Phys. 1998, 231, 229-244, doi:10.1016/S0301-0104(98)00006-8.\n! 2)Burkholder, J. B., personal communication to the NASA JPL Panel.\n! Quantum yield - JPL-19/Acetone 295K and 1 atm for channel producing ACO3 + MO2\n! Blitz, M. A., Heard, D. E., Pilling, M. J., Arnold S. R. and M. Chipperfield, Geophys. Res. Lett.\n! L06111, doi:10.1029/2003GL018793, 2004.\n! Supplied by Drs. William Stockwell and Emily Saunders, reformatted by Dr. Golam Sarwar to make it compatible with CMAQ\nPoints \n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n279\t4.92E-20\t0.1841\n280\t4.91E-20\t0.1741\n281\t4.86E-20\t0.1645\n282\t4.79E-20\t0.1554\n283\t4.71E-20\t0.1467\n284\t4.62E-20\t0.1384\n285\t4.54E-20\t0.1305\n286\t4.44E-20\t0.1229\n287\t4.36E-20\t0.1158\n288\t4.28E-20\t0.1090\n289\t4.15E-20\t0.1026\n290\t4.06E-20\t0.0965\n291\t3.95E-20\t0.0907\n292\t3.82E-20\t0.0853\n293\t3.71E-20\t0.0801\n294\t3.57E-20\t0.0752\n295\t3.42E-20\t0.0706\n296\t3.26E-20\t0.0663\n297\t3.11E-20\t0.0622\n298\t2.98E-20\t0.0584\n299\t2.82E-20\t0.0547\n300\t2.67E-20\t0.0513\n301\t2.58E-20\t0.0481\n302\t2.45E-20\t0.0451\n303\t2.30E-20\t0.0423\n304\t2.18E-20\t0.0396\n305\t2.05E-20\t0.0371\n306\t1.89E-20\t0.0347\n307\t1.75E-20\t0.0325\n308\t1.61E-20\t0.0304\n309\t1.49E-20\t0.0285\n310\t1.36E-20\t0.0267\n311\t1.24E-20\t0.0250\n312\t1.14E-20\t0.0234\n313\t1.06E-20\t0.0219\n314\t9.44E-21\t0.0205\n315\t8.37E-21\t0.0191\n316\t7.60E-21\t0.0179\n317\t6.84E-21\t0.0167\n318\t5.98E-21\t0.0157\n319\t5.23E-21\t0.0146\n320\t4.55E-21\t0.0137\n321\t4.11E-21\t0.0128\n322\t3.48E-21\t0.0120\n323\t2.94E-21\t0.0112\n324\t2.48E-21\t0.0105\n325\t2.10E-21\t0.0098\n326\t1.74E-21\t0.0091\n327\t1.41E-21\t0.0086\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/CH3COCH3_RACM2", "content": "CH3COCH3_RACM2\n! ACT + HV = ACO3 + MO2\n! Absorption x-section from NASA - 2006 \n! Quantum yield\n! Supplied by Dr. Wendy Goliff, reformatted by Dr. Golam Sarwar to make it compatible with CMAQ\nPoints \n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n186.1 0.000E+00 0.000\n187.8 0.000E+00 0.000\n189.6 0.000E+00 0.000\n191.4 0.000E+00 0.000\n193.3 0.000E+00 0.000\n195.2 0.000E+00 0.000\n197.1 0.000E+00 0.000\n199.0 0.000E+00 0.000\n201.0 0.000E+00 0.000\n203.1 0.000E+00 0.000\n205.2 0.000E+00 0.000\n207.3 0.000E+00 0.000\n209.4 0.000E+00 0.000\n211.7 0.000E+00 0.000\n213.9 0.000E+00 0.000\n216.2 0.167E-20 0.000\n218.6 0.212E-20 0.000\n221.0 0.270E-20 0.000\n223.5 0.346E-20 0.000\n226.0 0.419E-20 0.000\n228.6 0.535E-20 0.000\n231.3 0.637E-20 0.000\n234.0 0.815E-20 0.000\n236.7 0.103E-19 0.000\n239.6 0.130E-19 0.000\n242.5 0.160E-19 0.000\n245.4 0.183E-19 0.000\n248.5 0.233E-19 0.880\n251.6 0.274E-19 0.880\n254.8 0.315E-19 0.880\n258.2 0.357E-19 0.880\n261.5 0.407E-19 0.880\n265.0 0.441E-19 0.880\n268.5 0.472E-19 0.880\n272.2 0.491E-19 0.880\n275.9 0.493E-19 0.880\n279.8 0.491E-19 0.880\n283.7 0.462E-19 0.840\n287.8 0.428E-19 0.770\n292.0 0.382E-19 0.720\n296.3 0.326E-19 0.640\n300.5 0.258E-19 0.610\n303.0 0.230E-19 0.500\n304.0 0.218E-19 0.430\n305.0 0.205E-19 0.400\n306.0 0.189E-19 0.320\n307.0 0.175E-19 0.280\n308.0 0.161E-19 0.260\n309.0 0.149E-19 0.240\n310.0 0.136E-19 0.200\n311.0 0.124E-19 0.170\n312.0 0.114E-19 0.150\n313.0 0.106E-19 0.120\n314.0 0.944E-20 0.100\n316.0 0.760E-20 0.060\n320.0 0.455E-20 0.050\n325.0 0.210E-20 0.025\n330.0 0.740E-21 0.000\n335.0 0.248E-21 0.000\n340.0 0.912E-22 0.000\n345.0 0.301E-22 0.000\n350.0 0.000E+00 0.000\n355.0 0.000E+00 0.000\n360.0 0.000E+00 0.000\n365.0 0.000E+00 0.000\n370.0 0.000E+00 0.000\n375.0 0.000E+00 0.000\n380.0 0.000E+00 0.000\n385.0 0.000E+00 0.000\n390.0 0.000E+00 0.000\n395.0 0.000E+00 0.000\n400.0 0.000E+00 0.000\n405.0 0.000E+00 0.000\n410.0 0.000E+00 0.000\n415.0 0.000E+00 0.000\n420.0 0.000E+00 0.000\n425.0 0.000E+00 0.000\n430.0 0.000E+00 0.000\n435.0 0.000E+00 0.000\n440.0 0.000E+00 0.000\n445.0 0.000E+00 0.000\n450.0 0.000E+00 0.000\n455.0 0.000E+00 0.000\n460.0 0.000E+00 0.000\n465.0 0.000E+00 0.000\n470.0 0.000E+00 0.000\n475.0 0.000E+00 0.000\n480.0 0.000E+00 0.000\n485.0 0.000E+00 0.000\n490.0 0.000E+00 0.000\n495.0 0.000E+00 0.000\n500.0 0.000E+00 0.000\n505.0 0.000E+00 0.000\n510.0 0.000E+00 0.000\n515.0 0.000E+00 0.000\n520.0 0.000E+00 0.000\n525.0 0.000E+00 0.000\n530.0 0.000E+00 0.000\n535.0 0.000E+00 0.000\n540.0 0.000E+00 0.000\n545.0 0.000E+00 0.000\n550.0 0.000E+00 0.000\n555.0 0.000E+00 0.000\n560.0 0.000E+00 0.000\n565.0 0.000E+00 0.000\n570.0 0.000E+00 0.000\n575.0 0.000E+00 0.000\n580.0 0.000E+00 0.000\n585.0 0.000E+00 0.000\n590.0 0.000E+00 0.000\n595.0 0.000E+00 0.000\n600.0 0.000E+00 0.000\n605.0 0.000E+00 0.000\n610.0 0.000E+00 0.000\n615.0 0.000E+00 0.000\n620.0 0.000E+00 0.000\n625.0 0.000E+00 0.000\n630.0 0.000E+00 0.000\n635.0 0.000E+00 0.000\n640.0 0.000E+00 0.000\n644.8 0.000E+00 0.000\n651.0 0.000E+00 0.000\n660.0 0.000E+00 0.000\n670.0 0.000E+00 0.000\n680.0 0.000E+00 0.000\n690.0 0.000E+00 0.000\n700.0 0.000E+00 0.000\n710.0 0.000E+00 0.000\n720.0 0.000E+00 0.000\n730.0 0.000E+00 0.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/CH3I_IUPAC10", "content": "CH3I_IUPAC10\n! CH3I + HV = I + MEO2\n! CH3I Photolysis data\n! Supplied by Golam Sarwar \n! Created from IUPAC dataset\nPoints (these data can be treated as point values)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n205.0 7.000E-20 1.000\n210.0 3.800E-20 1.000\n215.0 5.200E-20 1.000\n220.0 6.900E-20 1.000\n225.0 9.100E-20 1.000\n230.0 1.260E-19 1.000\n235.0 2.020E-19 1.000\n240.0 3.740E-19 1.000\n245.0 6.360E-19 1.000\n250.0 9.210E-19 1.000\n255.0 1.111E-18 1.000\n260.0 1.123E-18 1.000\n265.0 9.660E-19 1.000\n270.0 7.170E-19 1.000\n275.0 4.710E-19 1.000\n280.0 2.800E-19 1.000\n285.0 1.520E-19 1.000\n290.0 7.790E-20 1.000\n295.0 3.920E-20 1.000\n300.0 2.030E-20 1.000\n305.0 1.090E-20 1.000\n310.0 6.190E-21 1.000\n315.0 3.560E-21 1.000\n320.0 2.150E-21 1.000\n325.0 1.240E-21 1.000\n330.0 7.000E-22 1.000\n335.0 3.300E-22 1.000\n340.0 2.300E-22 1.000\n345.0 1.270E-22 1.000\n350.0 6.700E-23 1.000\n355.0 2.600E-23 1.000\n360.0 1.300E-23 1.000\n365.0 4.000E-24 1.000" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/CH3ONO2_MCMv32", "content": "CH3ONO2_MCMv32\n!Methyl nitrate (CH3ONO2) T dependent cross sections\n!CH3ONO2 --> CH3O + NO2\n!IUPAC 2005 recommendation\n!http://iupac.pole-ether.fr/htdocs/datasheets/pdf/P14_CH3ONO2+hv.pdf dated May 2002\n!\n!average values from:\n!1. J.M. Roberts and R.W. Fajer, Environ. Sci. Technol. 23, 945 (1989)\n!2. O. Rattigan, E. Lutman, R. L. Jones, R. A. Cox, K. Clemitshaw, and J. Williams, J.\n!Photochem. Photobiol. A: Chem. 66, 313 (1992); corrigendum, ibid, 69, 125 (1992)\n!3. R. K. Talukdar, J. B. Burkholder, M. Hunter, M. K. Giles, J. M. Roberts, and A. R.\n!Ravishankara, J. Chem. Soc. Faraday Trans. 93, 2797 (1997)\n!\n!Quantum Yield\n!R. K. Talukdar, J. B. Burkholder, M. Hunter, M. K. Giles, J. M. Roberts, and A. R.\n!Ravishankara, J. Chem. Soc. Faraday Trans. 93, 2797 (1997)\n!\n!phi (CH3O + NO2) = unity at wavlengths > 248 nm\n!\n!sigma(wavelength, T) = sig0(wavlength, 298K)*EXP(B*(T-298))\n!nm sig0 qy B (1e3 K-1)\nPoints (the mechanism evaluated with this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n240.0 5.88E-20 1.000 3.48\n245.0 4.19E-20 1.000 3.29\n250.0 3.59E-20 1.000 2.96\n255.0 3.30E-20 1.000 2.82\n260.0 3.06E-20 1.000 2.83\n265.0 2.77E-20 1.000 2.92\n270.0 2.39E-20 1.000 3.08\n275.0 2.00E-20 1.000 3.28\n280.0 1.58E-20 1.000 3.51\n285.0 1.19E-20 1.000 3.78\n290.0 8.05E-21 1.000 4.04\n295.0 5.68E-21 1.000 4.47\n300.0 3.60E-21 1.000 4.94\n305.0 2.14E-21 1.000 5.56\n310.0 1.34E-21 1.000 6.33\n315.0 6.33E-22 1.000 7.34\n320.0 3.16E-22 1.000 8.74\n325.0 1.44E-22 1.000 9.97\n330.0 6.61E-23 1.000 13.6\n335.0 2.74E-23 1.000 13.6\n340.0 1.22E-23 1.000 13.6\n\n\n\n\n\n\n\n\n\n\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/CH3OOH_MCMv32", "content": "CH3OOH_MCMv32\n!methyl peroxide (CH3OOH) absorption spectrum (1 bar, 298 K)\n!IUPAC 2005 Recommendation\n!http://www.iupac-kinetic.ch.cam.ac.uk\n!Cross-section and Quantum yield\n!G. L. Vaghjiani and A. R. Ravishankara, J. Geophys. Res. 94, 3487 (1989)\n!G. L. Vaghjiani and A. R. Ravishankara, J. Chem. Phys. 92, 996 (1990)\n!\n!phi (CH3O + OH) = unity at wavelengths > 290 nm\n!\n!wavelength (nm) sigma qy\nPoints (the mechanism evaluated with this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n210.0 31.2E-20 1.000 \n215.0 20.9E-20 1.000 \n220.0 15.4E-20 1.000 \n225.0 12.2E-20 1.000 \n230.0 9.62E-20 1.000 \n235.0 7.61E-20 1.000 \n240.0 6.05E-20 1.000 \n245.0 4.88E-20 1.000 \n250.0 3.98E-20 1.000 \n255.0 3.23E-20 1.000 \n260.0 2.56E-20 1.000 \n265.0 2.11E-20 1.000 \n270.0 1.70E-20 1.000 \n275.0 1.39E-20 1.000 \n280.0 1.09E-20 1.000 \n285.0 8.63E-21 1.000 \n290.0 6.91E-21 1.000 \n295.0 5.51E-21 1.000 \n300.0 4.13E-21 1.000 \n305.0 3.13E-21 1.000 \n310.0 2.39E-21 1.000 \n315.0 1.82E-21 1.000 \n320.0 1.37E-21 1.000 \n325.0 1.05E-21 1.000 \n330.0 7.90E-22 1.000 \n335.0 6.10E-22 1.000 \n340.0 4.70E-22 1.000 \n345.0 3.50E-22 1.000 \n350.0 2.70E-22 1.000 \n355.0 2.10E-22 1.000 \n360.0 1.60E-22 1.000 \n365.0 1.20E-22 1.000 \n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/CHBR2CL_BILDE1998", "content": "MB2C\n! CHBR2CL + HV = 2BR\n! CHBR2CL Photolysis data. \n! Supplied by Brett Gantt\n! Created from Bilde et al. J Phys Chem A 1998 (Figure 11 at 298K)\nPoints (These data can be treated as point values)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n200.0 3.000E-18 1.000\n205.0 3.500E-18 1.000\n210.0 4.000E-18 1.000\n215.0 3.000E-18 1.000\n220.0 2.000E-18 1.000\n225.0 1.750E-18 1.000\n230.0 1.500E-18 1.000\n235.0 1.250E-18 1.000\n240.0 1.100E-18 1.000\n245.0 1.000E-18 1.000\n250.0 9.000E-19 1.000\n255.0 6.500E-19 1.000\n260.0 4.000E-19 1.000\n265.0 2.500E-19 1.000\n270.0 1.250E-19 1.000\n275.0 8.000E-20 1.000\n280.0 4.000E-20 1.000\n285.0 2.500E-20 1.000\n290.0 1.000E-20 1.000\n295.0 6.500E-21 1.000\n300.0 3.000E-21 1.000\n305.0 1.500E-21 1.000\n310.0 8.000E-22 1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/CHBR3_IUPAC2014", "content": "MB3\n! CHBR3 + HV = 3BR\n! CHBR3 Photolysis data \n! Supplied by Golam Sarwar \n! Created from IUPAC dataset 19-Mar-2014 15:00\nPoints (the mechanism was evaluated assuming this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n190.0 3.990E-18 1.000\n192.0 3.600E-18 1.000\n194.0 3.510E-18 1.000\n196.0 3.660E-18 1.000\n198.0 3.930E-18 1.000\n200.0 4.160E-18 1.000\n202.0 4.330E-18 1.000\n204.0 4.400E-18 1.000\n206.0 4.450E-18 1.000\n208.0 4.510E-18 1.000\n210.0 4.680E-18 1.000\n212.0 4.930E-18 1.000\n214.0 5.240E-18 1.000\n216.0 5.530E-18 1.000\n218.0 5.740E-18 1.000\n220.0 5.820E-18 1.000\n222.0 5.780E-18 1.000\n224.0 5.580E-18 1.000\n226.0 5.270E-18 1.000\n228.0 4.870E-18 1.000\n230.0 4.410E-18 1.000\n232.0 3.970E-18 1.000\n234.0 3.620E-18 1.000\n236.0 3.240E-18 1.000\n238.0 2.950E-18 1.000\n240.0 2.730E-18 1.000\n242.0 2.530E-18 1.000\n244.0 2.340E-18 1.000\n246.0 2.140E-18 1.000\n248.0 1.940E-18 1.000\n250.0 1.740E-18 1.000\n252.0 1.580E-18 1.000\n254.0 1.360E-18 1.000\n256.0 1.160E-18 1.000\n258.0 9.860E-19 1.000\n260.0 8.280E-19 1.000\n262.0 6.890E-19 1.000\n264.0 5.690E-19 1.000\n266.0 4.670E-19 1.000\n268.0 3.800E-19 1.000\n270.0 3.080E-19 1.000\n272.0 2.480E-19 1.000\n274.0 1.980E-19 1.000\n276.0 1.580E-19 1.000\n278.0 1.250E-19 1.000\n280.0 9.880E-20 1.000\n282.0 7.770E-20 1.000\n284.0 6.100E-20 1.000\n286.0 4.810E-20 1.000\n288.0 3.750E-20 1.000\n290.0 2.880E-20 1.000\n292.0 2.220E-20 1.000\n294.0 1.700E-20 1.000\n296.0 1.280E-20 1.000\n298.0 9.510E-21 1.000\n300.0 7.190E-21 1.000\n302.0 5.300E-21 1.000\n304.0 3.940E-21 1.000\n306.0 2.980E-21 1.000\n308.0 2.260E-21 1.000\n310.0 1.710E-21 1.000\n312.0 1.270E-21 1.000\n314.0 9.500E-22 1.000\n316.0 7.100E-22 1.000\n318.0 5.300E-22 1.000\n320.0 3.900E-22 1.000\n322.0 2.900E-22 1.000\n324.0 2.100E-22 1.000\n326.0 1.600E-22 1.000\n328.0 9.000E-23 1.000\n330.0 9.000E-23 1.000\n332.0 7.000E-23 1.000\n334.0 5.000E-23 1.000\n336.0 4.000E-23 1.000\n338.0 3.000E-23 1.000\n340.0 2.000E-23 1.000" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/CHBRCL2_BILDE1998", "content": "MBC2\n! CHBRCL2 + HV = BR\n! CHBRCL2 Photolysis data. \n! Supplied by Brett Gantt\n! Created from Bilde et al. J Phys Chem A 1998 (Figure 9 at 298K)\nPoints (the mechanism was evaluated assuming this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n210.0 7.000E-19 1.000\n215.0 7.250E-19 1.000\n220.0 7.500E-19 1.000\n225.0 6.500E-19 1.000\n230.0 6.000E-19 1.000\n235.0 5.000E-19 1.000\n240.0 4.000E-19 1.000\n245.0 3.250E-19 1.000\n250.0 2.500E-19 1.000\n255.0 1.750E-19 1.000\n260.0 9.000E-20 1.000\n265.0 6.000E-20 1.000\n270.0 3.000E-20 1.000\n275.0 1.500E-20 1.000\n280.0 9.000E-21 1.000\n285.0 6.000E-21 1.000\n290.0 4.500E-21 1.000\n295.0 3.000E-21 1.000\n300.0 1.500E-21 1.000\n305.0 9.000E-22 1.000\n310.0 6.500E-22 1.000\n315.0 4.000E-22 1.000\n320.0 1.750E-22 1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/CL2", "content": "CL2 \n! CL2 + HV = 2 CL \t \n!\tFROM IUPAC EVALUATION (1996) \n!\tRECOMMEND UNIT QUANTUM YIELD \n!\t \nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n260.0 2.000E-21 1.0000\n270.0 8.200E-21 1.0000\n280.0 2.600E-20 1.0000\n290.0 6.200E-20 1.0000\n300.0 1.190E-19 1.0000\n310.0 1.850E-19 1.0000\n320.0 2.370E-19 1.0000\n330.0 2.550E-19 1.0000\n340.0 2.350E-19 1.0000\n350.0 1.880E-19 1.0000\n360.0 1.320E-19 1.0000\n370.0 8.400E-20 1.0000\n380.0 5.000E-20 1.0000\n390.0 2.900E-20 1.0000\n400.0 1.800E-20 1.0000\n410.0 1.300E-20 1.0000\n420.0 9.600E-21 1.0000\n430.0 7.300E-21 1.0000\n440.0 5.400E-21 1.0000\n450.0 3.800E-21 1.0000\n460.0 2.600E-21 1.0000\n470.0 1.600E-21 1.0000\n480.0 0.000E+00 1.0000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/CL2_IUPAC04", "content": "CL2_IUPAC04\n! CL2 + HV = 2*CL\n! 260 nm and 470 nm\n! IUPAC Subcommittee on Gas Kinetic Data Evaluation; Data Sheet PCl11 Website: 15th December 2000\n! Website: http://www.iupac-kinetic.ch.cam.ac.uk between 260 nm and 470 nm\n! > 260 nm\n! J. Tellinghuisen, \"Precise equilibrium constants from spectrophotometric data: \n! BrCl in Br2/Cl2,\" J. Phys. Chem. A 107, 753-757 (2003) \n! > 470 nm\n! NASA JPL (2015) recommendation\n! Assume these are point values (not specified in data source)\nPOINT\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n200 6.50e-22 1\n210 1.91e-22 1\n220 1.53e-22 1\n230 2.30e-22 1\n240 1.53e-22 1\n250 4.59e-22 1\n260\t2.0E-21\t 1\t\n270\t8.2E-21\t 1\t\n280\t2.6E-20\t 1\t\n290\t6.2E-20\t 1\t\n300\t1.19E-19 1\t\n310\t1.85E-19 1\t\n320\t2.37E-19 1\t\n330\t2.55E-19 1\t\n340\t2.35E-19 1\t\n350\t1.88E-19 1\t\n360\t1.32E-19 1\t\n370\t8.4E-20\t 1\t\n380\t5.0E-20\t 1\n390\t2.9E-20\t 1\t\n400\t1.8E-20\t 1\t\n410\t1.3E-20\t 1\t\n420\t9.6E-21\t 1\t\n430\t7.3E-21\t 1\t\n440\t5.4E-21\t 1\t\n450\t3.8E-21\t 1\t\n460\t2.6E-21\t 1\t\n470\t1.6E-21\t 1\t\n480 9.57E-22 1\n490 5.34E-22 1\n500 2.83E-22 1\n510 1.42E-22 1\n520 6.81E-23 1\n530 3.13E-23 1\n540 1.37E-23 1\n550 5.80E-23 1\n\t\t\t\n\t\t\t\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/CL2_IUPAC04_mod", "content": "CL2_IUPAC04\n! CL2 + HV = 2*CL\n! 260 nm and 470 nm\n! IUPAC Subcommittee on Gas Kinetic Data Evaluation; Data Sheet PCl11 Website: 15th December 2000\n! Website: http://www.iupac-kinetic.ch.cam.ac.uk between 260 nm and 470 nm\n! > 260 nm\n! J. Tellinghuisen, \"Precise equilibrium constants from spectrophotometric data: \n! BrCl in Br2/Cl2,\" J. Phys. Chem. A 107, 753-757 (2003) \n! > 470 nm\n! NASA JPL (2015) recommendation\n! Assume these are point values (not specified in data source)\nPOINT\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n200 6.50e-22 1\n210 1.91e-22 1\n220 1.53e-22 1\n230 2.30e-22 1\n240 1.53e-22 1\n250 4.59e-22 1\n260\t2.0E-21\t 1\t\n270\t8.2E-21\t 1\t\n280\t2.6E-20\t 1\t\n290\t6.2E-20\t 1\t\n300\t1.19E-19 1\t\n310\t1.85E-19 1\t\n320\t2.37E-19 1\t\n330\t2.55E-19 1\t\n340\t2.35E-19 1\t\n350\t1.88E-19 1\t\n360\t1.32E-19 1\t\n370\t8.4E-20\t 1\t\n380\t5.0E-20\t 1\n390\t2.9E-20\t 1\t\n400\t1.8E-20\t 1\t\n410\t1.3E-20\t 1\t\n420\t9.6E-21\t 1\t\n430\t7.3E-21\t 1\t\n440\t5.4E-21\t 1\t\n450\t3.8E-21\t 1\t\n460\t2.6E-21\t 1\t\n470\t1.6E-21\t 1\t\n480 9.57E-22 1\n490 5.34E-22 1\n500 2.83E-22 1\n510 1.42E-22 1\n520 6.81E-23 1\n530 3.13E-23 1\n540 1.37E-23 1\n550 5.80E-23 1\n\t\t\t\n\t\t\t\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/CLACET", "content": "CLACET \n! Chloroacetone absorption cross sections \n! Chloroacetone absorption cross sections \n! \nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n210.0 2.200E-19 1.0000\n211.0 2.300E-19 1.0000\n212.0 2.430E-19 1.0000\n213.0 2.550E-19 1.0000\n214.0 2.640E-19 1.0000\n215.0 2.750E-19 1.0000\n216.0 2.890E-19 1.0000\n217.0 3.010E-19 1.0000\n218.0 3.090E-19 1.0000\n219.0 3.170E-19 1.0000\n220.0 3.240E-19 1.0000\n221.0 3.280E-19 1.0000\n222.0 3.320E-19 1.0000\n223.0 3.350E-19 1.0000\n224.0 3.350E-19 1.0000\n225.0 3.300E-19 1.0000\n226.0 3.230E-19 1.0000\n227.0 3.180E-19 1.0000\n228.0 3.130E-19 1.0000\n229.0 3.030E-19 1.0000\n230.0 2.890E-19 1.0000\n231.0 2.730E-19 1.0000\n232.0 2.570E-19 1.0000\n233.0 2.400E-19 1.0000\n234.0 2.220E-19 1.0000\n235.0 2.030E-19 1.0000\n236.0 1.840E-19 1.0000\n237.0 1.650E-19 1.0000\n238.0 1.460E-19 1.0000\n239.0 1.270E-19 1.0000\n240.0 1.100E-19 1.0000\n241.0 9.500E-20 1.0000\n242.0 8.150E-20 1.0000\n243.0 6.930E-20 1.0000\n244.0 5.850E-20 1.0000\n245.0 4.950E-20 1.0000\n246.0 4.260E-20 1.0000\n247.0 3.740E-20 1.0000\n248.0 3.360E-20 1.0000\n249.0 3.110E-20 1.0000\n250.0 2.960E-20 1.0000\n251.0 2.900E-20 1.0000\n252.0 2.920E-20 1.0000\n253.0 3.000E-20 1.0000\n254.0 3.100E-20 1.0000\n255.0 3.240E-20 1.0000\n256.0 3.390E-20 1.0000\n257.0 3.560E-20 1.0000\n258.0 3.750E-20 1.0000\n259.0 3.970E-20 1.0000\n260.0 4.190E-20 1.0000\n261.0 4.400E-20 1.0000\n262.0 4.630E-20 1.0000\n263.0 4.860E-20 1.0000\n264.0 5.120E-20 1.0000\n265.0 5.380E-20 1.0000\n266.0 5.650E-20 1.0000\n267.0 5.890E-20 1.0000\n268.0 6.140E-20 1.0000\n269.0 6.390E-20 1.0000\n270.0 6.650E-20 1.0000\n271.0 6.930E-20 1.0000\n272.0 7.200E-20 1.0000\n273.0 7.470E-20 1.0000\n274.0 7.710E-20 1.0000\n275.0 7.940E-20 1.0000\n276.0 8.160E-20 1.0000\n277.0 8.370E-20 1.0000\n278.0 8.590E-20 1.0000\n279.0 8.820E-20 1.0000\n280.0 9.030E-20 1.0000\n281.0 9.230E-20 1.0000\n282.0 9.410E-20 1.0000\n283.0 9.560E-20 1.0000\n284.0 9.690E-20 1.0000\n285.0 9.800E-20 1.0000\n286.0 9.890E-20 1.0000\n287.0 9.980E-20 1.0000\n288.0 1.000E-19 1.0000\n289.0 1.010E-19 1.0000\n290.0 1.020E-19 1.0000\n291.0 1.020E-19 1.0000\n292.0 1.020E-19 1.0000\n293.0 1.020E-19 1.0000\n294.0 1.010E-19 1.0000\n295.0 1.000E-19 1.0000\n296.0 9.890E-20 1.0000\n297.0 9.770E-20 1.0000\n298.0 9.660E-20 1.0000\n299.0 9.540E-20 1.0000\n300.0 9.410E-20 1.0000\n301.0 9.250E-20 1.0000\n302.0 9.040E-20 1.0000\n303.0 8.800E-20 1.0000\n304.0 8.530E-20 1.0000\n305.0 8.240E-20 1.0000\n306.0 7.940E-20 1.0000\n307.0 7.630E-20 1.0000\n308.0 7.340E-20 1.0000\n309.0 7.060E-20 1.0000\n310.0 6.770E-20 1.0000\n311.0 6.500E-20 1.0000\n312.0 6.220E-20 1.0000\n313.0 5.930E-20 1.0000\n314.0 5.610E-20 1.0000\n315.0 5.280E-20 1.0000\n316.0 4.920E-20 1.0000\n317.0 4.570E-20 1.0000\n318.0 4.220E-20 1.0000\n319.0 3.890E-20 1.0000\n320.0 3.580E-20 1.0000\n321.0 3.300E-20 1.0000\n322.0 3.040E-20 1.0000\n323.0 2.800E-20 1.0000\n324.0 2.580E-20 1.0000\n325.0 2.370E-20 1.0000\n326.0 2.160E-20 1.0000\n327.0 1.950E-20 1.0000\n328.0 1.730E-20 1.0000\n329.0 1.520E-20 1.0000\n330.0 1.330E-20 1.0000\n331.0 1.140E-20 1.0000\n332.0 9.790E-21 1.0000\n333.0 8.320E-21 1.0000\n334.0 7.070E-21 1.0000\n335.0 5.980E-21 1.0000\n336.0 5.060E-21 1.0000\n337.0 4.270E-21 1.0000\n338.0 3.610E-21 1.0000\n339.0 3.020E-21 1.0000\n340.0 2.520E-21 1.0000\n341.0 2.120E-21 1.0000\n342.0 1.760E-21 1.0000\n343.0 1.450E-21 1.0000\n344.0 1.200E-21 1.0000\n345.0 1.030E-21 1.0000\n346.0 8.870E-22 1.0000\n347.0 7.570E-22 1.0000\n348.0 6.420E-22 1.0000\n349.0 5.470E-22 1.0000\n350.0 4.580E-22 1.0000\n351.0 4.110E-22 1.0000\n352.0 3.280E-22 1.0000\n353.0 3.190E-22 1.0000\n354.0 2.200E-22 1.0000\n355.0 1.930E-22 1.0000\n356.0 1.380E-22 1.0000\n357.0 1.340E-22 1.0000\n358.0 9.170E-23 1.0000\n359.0 1.550E-22 1.0000\n360.0 1.280E-22 1.0000\n365.0 0.000E+00 1.0000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/CLCCHO", "content": "CLCCHO \n! Chloroacetaldehyde absorption cross sections \n! NASA (2006) evaluation \nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n240.0 9.520E-21 1.0000\n241.0 8.870E-21 1.0000\n242.0 8.850E-21 1.0000\n243.0 8.810E-21 1.0000\n244.0 8.450E-21 1.0000\n245.0 8.140E-21 1.0000\n246.0 8.150E-21 1.0000\n247.0 8.410E-21 1.0000\n248.0 8.570E-21 1.0000\n249.0 8.640E-21 1.0000\n250.0 8.750E-21 1.0000\n251.0 8.840E-21 1.0000\n252.0 9.260E-21 1.0000\n253.0 9.590E-21 1.0000\n254.0 9.770E-21 1.0000\n255.0 1.010E-20 1.0000\n256.0 1.080E-20 1.0000\n257.0 1.180E-20 1.0000\n258.0 1.230E-20 1.0000\n259.0 1.280E-20 1.0000\n260.0 1.330E-20 1.0000\n261.0 1.420E-20 1.0000\n262.0 1.530E-20 1.0000\n263.0 1.680E-20 1.0000\n264.0 1.840E-20 1.0000\n265.0 1.910E-20 1.0000\n266.0 1.980E-20 1.0000\n267.0 2.080E-20 1.0000\n268.0 2.230E-20 1.0000\n269.0 2.330E-20 1.0000\n270.0 2.460E-20 1.0000\n271.0 2.650E-20 1.0000\n272.0 2.850E-20 1.0000\n273.0 2.980E-20 1.0000\n274.0 3.040E-20 1.0000\n275.0 3.130E-20 1.0000\n276.0 3.290E-20 1.0000\n277.0 3.380E-20 1.0000\n278.0 3.570E-20 1.0000\n279.0 3.820E-20 1.0000\n280.0 3.990E-20 1.0000\n281.0 4.230E-20 1.0000\n282.0 4.090E-20 1.0000\n283.0 4.150E-20 1.0000\n284.0 4.310E-20 1.0000\n285.0 4.550E-20 1.0000\n286.0 4.640E-20 1.0000\n287.0 4.800E-20 1.0000\n288.0 4.990E-20 1.0000\n289.0 5.030E-20 1.0000\n290.0 5.200E-20 1.0000\n291.0 4.950E-20 1.0000\n292.0 4.940E-20 1.0000\n293.0 5.140E-20 1.0000\n294.0 5.480E-20 1.0000\n295.0 5.470E-20 1.0000\n296.0 5.640E-20 1.0000\n297.0 5.560E-20 1.0000\n298.0 5.750E-20 1.0000\n299.0 5.630E-20 1.0000\n300.0 5.570E-20 1.0000\n301.0 5.100E-20 1.0000\n302.0 4.920E-20 1.0000\n303.0 5.010E-20 1.0000\n304.0 5.300E-20 1.0000\n305.0 5.270E-20 1.0000\n306.0 5.480E-20 1.0000\n307.0 5.340E-20 1.0000\n308.0 5.440E-20 1.0000\n309.0 5.370E-20 1.0000\n310.0 5.030E-20 1.0000\n311.0 4.610E-20 1.0000\n312.0 3.920E-20 1.0000\n313.0 3.710E-20 1.0000\n314.0 3.730E-20 1.0000\n315.0 3.960E-20 1.0000\n316.0 3.850E-20 1.0000\n317.0 4.160E-20 1.0000\n318.0 3.840E-20 1.0000\n319.0 3.780E-20 1.0000\n320.0 3.840E-20 1.0000\n321.0 3.430E-20 1.0000\n322.0 3.260E-20 1.0000\n323.0 2.490E-20 1.0000\n324.0 2.110E-20 1.0000\n325.0 1.920E-20 1.0000\n326.0 1.870E-20 1.0000\n327.0 1.870E-20 1.0000\n328.0 1.700E-20 1.0000\n329.0 1.920E-20 1.0000\n330.0 1.640E-20 1.0000\n331.0 1.520E-20 1.0000\n332.0 1.680E-20 1.0000\n333.0 1.420E-20 1.0000\n334.0 1.360E-20 1.0000\n335.0 1.060E-20 1.0000\n336.0 7.470E-21 1.0000\n337.0 6.220E-21 1.0000\n338.0 5.020E-21 1.0000\n339.0 4.110E-21 1.0000\n340.0 3.400E-21 1.0000\n341.0 2.810E-21 1.0000\n342.0 2.470E-21 1.0000\n343.0 2.130E-21 1.0000\n344.0 1.900E-21 1.0000\n345.0 1.590E-21 1.0000\n346.0 1.360E-21 1.0000\n347.0 9.770E-22 1.0000\n348.0 7.910E-22 1.0000\n349.0 6.230E-22 1.0000\n350.0 5.450E-22 1.0000\n351.0 5.580E-22 1.0000\n352.0 6.030E-22 1.0000\n353.0 6.330E-22 1.0000\n354.0 5.650E-22 1.0000\n355.0 3.770E-22 1.0000\n356.0 2.390E-22 1.0000\n357.0 1.230E-22 1.0000\n358.0 0.000E+00 1.0000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/CLNO-06", "content": "CLNO-06 \n! CLNO absorption cross sections recommended by IUPAC (2005) \n! Wavelength where absorption goes to zero est'd by extrapolation \n! \nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n280.0 1.060E-19 1.0000\n282.0 1.020E-19 1.0000\n284.0 9.990E-20 1.0000\n286.0 9.840E-20 1.0000\n288.0 9.710E-20 1.0000\n290.0 9.640E-20 1.0000\n292.0 9.630E-20 1.0000\n294.0 9.690E-20 1.0000\n296.0 9.710E-20 1.0000\n298.0 9.890E-20 1.0000\n300.0 1.000E-19 1.0000\n302.0 1.030E-19 1.0000\n304.0 1.050E-19 1.0000\n306.0 1.080E-19 1.0000\n308.0 1.110E-19 1.0000\n310.0 1.150E-19 1.0000\n312.0 1.190E-19 1.0000\n314.0 1.220E-19 1.0000\n316.0 1.250E-19 1.0000\n318.0 1.300E-19 1.0000\n320.0 1.340E-19 1.0000\n322.0 1.360E-19 1.0000\n324.0 1.400E-19 1.0000\n326.0 1.430E-19 1.0000\n328.0 1.460E-19 1.0000\n330.0 1.470E-19 1.0000\n332.0 1.490E-19 1.0000\n334.0 1.510E-19 1.0000\n336.0 1.530E-19 1.0000\n338.0 1.530E-19 1.0000\n340.0 1.520E-19 1.0000\n342.0 1.530E-19 1.0000\n344.0 1.510E-19 1.0000\n346.0 1.510E-19 1.0000\n348.0 1.490E-19 1.0000\n350.0 1.450E-19 1.0000\n355.0 1.360E-19 1.0000\n360.0 1.290E-19 1.0000\n365.0 1.200E-19 1.0000\n370.0 1.100E-19 1.0000\n375.0 9.950E-20 1.0000\n380.0 8.860E-20 1.0000\n385.0 7.820E-20 1.0000\n390.0 6.860E-20 1.0000\n395.0 5.970E-20 1.0000\n400.0 5.130E-20 1.0000\n405.0 4.400E-20 1.0000\n410.0 3.830E-20 1.0000\n415.0 3.380E-20 1.0000\n420.0 2.890E-20 1.0000\n425.0 2.450E-20 1.0000\n430.0 2.210E-20 1.0000\n435.0 2.200E-20 1.0000\n440.0 2.200E-20 1.0000\n445.0 2.070E-20 1.0000\n450.0 1.870E-20 1.0000\n455.0 1.790E-20 1.0000\n460.0 1.950E-20 1.0000\n465.0 2.250E-20 1.0000\n470.0 2.500E-20 1.0000\n475.0 2.610E-20 1.0000\n480.0 2.530E-20 1.0000\n485.0 2.330E-20 1.0000\n490.0 2.070E-20 1.0000\n495.0 1.780E-20 1.0000\n500.0 1.500E-20 1.0000\n527.0 0.000E+00 1.0000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/CLNO2", "content": "CLNO2 \n! CLNO2 + HV = CL + NO2\t \n!\tFROM IUPAC EVALUATION (1996) \n!\tRECOMMEND UNIT QUANTUM YILED \nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n190.0 2.690E-17 1.0000\n200.0 4.680E-18 1.0000\n210.0 3.200E-18 1.0000\n220.0 3.390E-18 1.0000\n230.0 2.260E-18 1.0000\n240.0 1.330E-18 1.0000\n250.0 9.060E-19 1.0000\n260.0 6.130E-19 1.0000\n270.0 3.530E-19 1.0000\n280.0 2.200E-19 1.0000\n290.0 1.730E-19 1.0000\n300.0 1.490E-19 1.0000\n310.0 1.210E-19 1.0000\n320.0 8.870E-20 1.0000\n330.0 5.840E-20 1.0000\n340.0 3.540E-20 1.0000\n350.0 2.040E-20 1.0000\n360.0 1.150E-20 1.0000\n370.0 6.900E-21 1.0000\n380.0 0.000E+00 1.0000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/CLNO2_IUPAC13", "content": "CLNO2_IUPAC13 \n! CLNO2 + HV = CL + NO2\n! \n!\tBased on IUPAC EVALUATION (2013) \n! Data Sheet III.A5.110 PCl9\n!RECOMMEND QUANTUM YIELD: one\n!\n!Cross Section:\n! B. Ghosh, D.K. Papanastasiou, R.K. Talukdar, J.M. Roberts, and J.B. Burkholder, \n! Nitryl chloride (ClNO2): UV/Vis absorption spectrum between 210 and 296 K and \n! O(3P) quantum yield at 193 and 248 nm,\" J. Phys. Chem. A 116, 5796-5805 (2012); \n! DOI: 10.1021/jp207389y\nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n190.00 2.690E-17 1.0000\n200.00 4.015e-18 1.0000\n201.00 3.640e-18 1.0000\n202.00 3.360e-18 1.0000\n203.00 3.186e-18 1.0000\n204.00 3.095e-18 1.0000\n205.00 3.056e-18 1.0000\n206.00 3.060e-18 1.0000\n207.00 3.091e-18 1.0000\n208.00 3.141e-18 1.0000\n209.00 3.200e-18 1.0000\n210.00 3.262e-18 1.0000\n211.00 3.325e-18 1.0000\n212.00 3.383e-18 1.0000\n213.00 3.427e-18 1.0000\n214.00 3.458e-18 1.0000\n215.00 3.478e-18 1.0000\n216.00 3.481e-18 1.0000\n217.00 3.467e-18 1.0000\n218.00 3.436e-18 1.0000\n219.00 3.387e-18 1.0000\n220.00 3.321e-18 1.0000\n220.25 3.302e-18 1.0000\n220.50 3.282e-18 1.0000\n220.75 3.262e-18 1.0000\n221.00 3.240e-18 1.0000\n221.25 3.218e-18 1.0000\n221.50 3.195e-18 1.0000\n221.75 3.172e-18 1.0000\n222.00 3.148e-18 1.0000\n222.25 3.124e-18 1.0000\n222.50 3.099e-18 1.0000\n222.75 3.074e-18 1.0000\n223.00 3.049e-18 1.0000\n223.25 3.023e-18 1.0000\n223.50 2.996e-18 1.0000\n223.75 2.968e-18 1.0000\n224.00 2.939e-18 1.0000\n224.25 2.910e-18 1.0000\n224.50 2.879e-18 1.0000\n224.75 2.848e-18 1.0000\n225.00 2.816e-18 1.0000\n225.25 2.785e-18 1.0000\n225.50 2.753e-18 1.0000\n225.75 2.722e-18 1.0000\n226.00 2.690e-18 1.0000\n226.25 2.659e-18 1.0000\n226.50 2.628e-18 1.0000\n226.75 2.597e-18 1.0000\n227.00 2.566e-18 1.0000\n227.25 2.536e-18 1.0000\n227.50 2.506e-18 1.0000\n227.75 2.476e-18 1.0000\n228.00 2.447e-18 1.0000\n228.25 2.417e-18 1.0000\n228.50 2.386e-18 1.0000\n228.75 2.356e-18 1.0000\n229.00 2.324e-18 1.0000\n229.25 2.293e-18 1.0000\n229.50 2.262e-18 1.0000\n229.75 2.232e-18 1.0000\n230.00 2.203e-18 1.0000\n230.25 2.174e-18 1.0000\n230.50 2.145e-18 1.0000\n230.75 2.117e-18 1.0000\n231.00 2.088e-18 1.0000\n231.25 2.060e-18 1.0000\n231.50 2.032e-18 1.0000\n231.75 2.006e-18 1.0000\n232.00 1.980e-18 1.0000\n232.25 1.954e-18 1.0000\n232.50 1.929e-18 1.0000\n232.75 1.904e-18 1.0000\n233.00 1.879e-18 1.0000\n233.25 1.853e-18 1.0000\n233.50 1.827e-18 1.0000\n233.75 1.803e-18 1.0000\n234.00 1.780e-18 1.0000\n234.25 1.758e-18 1.0000\n234.50 1.737e-18 1.0000\n234.75 1.716e-18 1.0000\n235.00 1.696e-18 1.0000\n235.25 1.676e-18 1.0000\n235.50 1.655e-18 1.0000\n235.75 1.634e-18 1.0000\n236.00 1.613e-18 1.0000\n236.25 1.592e-18 1.0000\n236.50 1.573e-18 1.0000\n236.75 1.556e-18 1.0000\n237.00 1.539e-18 1.0000\n237.25 1.522e-18 1.0000\n237.50 1.504e-18 1.0000\n237.75 1.486e-18 1.0000\n238.00 1.467e-18 1.0000\n238.25 1.449e-18 1.0000\n238.50 1.431e-18 1.0000\n238.75 1.415e-18 1.0000\n239.00 1.402e-18 1.0000\n239.25 1.389e-18 1.0000\n239.50 1.376e-18 1.0000\n239.75 1.362e-18 1.0000\n240.00 1.348e-18 1.0000\n240.25 1.334e-18 1.0000\n240.50 1.319e-18 1.0000\n240.75 1.304e-18 1.0000\n241.00 1.291e-18 1.0000\n241.25 1.278e-18 1.0000\n241.50 1.265e-18 1.0000\n241.75 1.253e-18 1.0000\n242.00 1.242e-18 1.0000\n242.25 1.231e-18 1.0000\n242.50 1.220e-18 1.0000\n242.75 1.207e-18 1.0000\n243.00 1.193e-18 1.0000\n243.25 1.180e-18 1.0000\n243.50 1.168e-18 1.0000\n243.75 1.156e-18 1.0000\n244.00 1.146e-18 1.0000\n244.25 1.137e-18 1.0000\n244.50 1.129e-18 1.0000\n244.75 1.122e-18 1.0000\n245.00 1.112e-18 1.0000\n245.25 1.101e-18 1.0000\n245.50 1.089e-18 1.0000\n245.75 1.077e-18 1.0000\n246.00 1.065e-18 1.0000\n246.25 1.055e-18 1.0000\n246.50 1.047e-18 1.0000\n246.75 1.040e-18 1.0000\n247.00 1.033e-18 1.0000\n247.25 1.024e-18 1.0000\n247.50 1.017e-18 1.0000\n247.75 1.008e-18 1.0000\n248.00 9.975e-19 1.0000\n248.25 9.848e-19 1.0000\n248.50 9.740e-19 1.0000\n248.75 9.645e-19 1.0000\n249.00 9.560e-19 1.0000\n249.25 9.488e-19 1.0000\n249.50 9.418e-19 1.0000\n249.75 9.352e-19 1.0000\n250.00 9.286e-19 1.0000\n250.25 9.197e-19 1.0000\n250.50 9.092e-19 1.0000\n250.75 8.981e-19 1.0000\n251.00 8.867e-19 1.0000\n251.25 8.757e-19 1.0000\n251.50 8.670e-19 1.0000\n251.75 8.595e-19 1.0000\n252.00 8.529e-19 1.0000\n252.25 8.471e-19 1.0000\n252.50 8.404e-19 1.0000\n252.75 8.328e-19 1.0000\n253.00 8.243e-19 1.0000\n253.25 8.149e-19 1.0000\n253.50 8.047e-19 1.0000\n253.75 7.952e-19 1.0000\n254.00 7.864e-19 1.0000\n254.25 7.783e-19 1.0000\n254.50 7.718e-19 1.0000\n254.75 7.655e-19 1.0000\n255.00 7.594e-19 1.0000\n255.25 7.530e-19 1.0000\n255.50 7.454e-19 1.0000\n255.75 7.365e-19 1.0000\n256.00 7.269e-19 1.0000\n256.25 7.167e-19 1.0000\n256.50 7.064e-19 1.0000\n256.75 6.966e-19 1.0000\n257.00 6.881e-19 1.0000\n257.25 6.806e-19 1.0000\n257.50 6.738e-19 1.0000\n257.75 6.673e-19 1.0000\n258.00 6.607e-19 1.0000\n258.25 6.535e-19 1.0000\n258.50 6.457e-19 1.0000\n258.75 6.370e-19 1.0000\n259.00 6.280e-19 1.0000\n259.25 6.192e-19 1.0000\n259.50 6.108e-19 1.0000\n259.75 6.031e-19 1.0000\n260.00 5.959e-19 1.0000\n260.25 5.893e-19 1.0000\n260.50 5.832e-19 1.0000\n260.75 5.767e-19 1.0000\n261.00 5.702e-19 1.0000\n261.25 5.632e-19 1.0000\n261.50 5.557e-19 1.0000\n261.75 5.476e-19 1.0000\n262.00 5.395e-19 1.0000\n262.25 5.315e-19 1.0000\n262.50 5.238e-19 1.0000\n262.75 5.164e-19 1.0000\n263.00 5.101e-19 1.0000\n263.25 5.040e-19 1.0000\n263.50 4.981e-19 1.0000\n263.75 4.921e-19 1.0000\n264.00 4.859e-19 1.0000\n264.25 4.793e-19 1.0000\n264.50 4.725e-19 1.0000\n264.75 4.656e-19 1.0000\n265.00 4.586e-19 1.0000\n265.25 4.515e-19 1.0000\n265.50 4.447e-19 1.0000\n265.75 4.384e-19 1.0000\n266.00 4.325e-19 1.0000\n266.25 4.267e-19 1.0000\n266.50 4.212e-19 1.0000\n266.75 4.159e-19 1.0000\n267.00 4.103e-19 1.0000\n267.25 4.047e-19 1.0000\n267.50 3.990e-19 1.0000\n267.75 3.933e-19 1.0000\n268.00 3.876e-19 1.0000\n268.25 3.817e-19 1.0000\n268.50 3.761e-19 1.0000\n268.75 3.708e-19 1.0000\n269.00 3.658e-19 1.0000\n269.25 3.611e-19 1.0000\n269.50 3.565e-19 1.0000\n269.75 3.520e-19 1.0000\n270.00 3.477e-19 1.0000\n270.25 3.433e-19 1.0000\n270.50 3.387e-19 1.0000\n270.75 3.343e-19 1.0000\n271.00 3.300e-19 1.0000\n271.25 3.254e-19 1.0000\n271.50 3.210e-19 1.0000\n271.75 3.166e-19 1.0000\n272.00 3.123e-19 1.0000\n272.25 3.081e-19 1.0000\n272.50 3.042e-19 1.0000\n272.75 3.003e-19 1.0000\n273.00 2.965e-19 1.0000\n273.25 2.929e-19 1.0000\n273.50 2.892e-19 1.0000\n273.75 2.855e-19 1.0000\n274.00 2.819e-19 1.0000\n274.25 2.783e-19 1.0000\n274.50 2.749e-19 1.0000\n274.75 2.715e-19 1.0000\n275.00 2.682e-19 1.0000\n275.25 2.651e-19 1.0000\n275.50 2.619e-19 1.0000\n275.75 2.588e-19 1.0000\n276.00 2.559e-19 1.0000\n276.25 2.532e-19 1.0000\n276.50 2.505e-19 1.0000\n276.75 2.477e-19 1.0000\n277.00 2.450e-19 1.0000\n277.25 2.424e-19 1.0000\n277.50 2.398e-19 1.0000\n277.75 2.374e-19 1.0000\n278.00 2.350e-19 1.0000\n278.25 2.327e-19 1.0000\n278.50 2.303e-19 1.0000\n278.75 2.281e-19 1.0000\n279.00 2.259e-19 1.0000\n279.25 2.237e-19 1.0000\n279.50 2.216e-19 1.0000\n279.75 2.197e-19 1.0000\n280.00 2.177e-19 1.0000\n281.00 2.101e-19 1.0000\n282.00 2.033e-19 1.0000\n283.00 1.975e-19 1.0000\n284.00 1.922e-19 1.0000\n285.00 1.876e-19 1.0000\n286.00 1.833e-19 1.0000\n287.00 1.794e-19 1.0000\n288.00 1.760e-19 1.0000\n289.00 1.731e-19 1.0000\n290.00 1.701e-19 1.0000\n291.00 1.677e-19 1.0000\n292.00 1.654e-19 1.0000\n293.00 1.630e-19 1.0000\n294.00 1.605e-19 1.0000\n295.00 1.583e-19 1.0000\n296.00 1.564e-19 1.0000\n297.00 1.543e-19 1.0000\n298.00 1.522e-19 1.0000\n299.00 1.500e-19 1.0000\n300.00 1.476e-19 1.0000\n301.00 1.451e-19 1.0000\n302.00 1.426e-19 1.0000\n303.00 1.401e-19 1.0000\n304.00 1.375e-19 1.0000\n305.00 1.349e-19 1.0000\n306.00 1.321e-19 1.0000\n307.00 1.292e-19 1.0000\n308.00 1.263e-19 1.0000\n309.00 1.234e-19 1.0000\n310.00 1.203e-19 1.0000\n311.00 1.172e-19 1.0000\n312.00 1.141e-19 1.0000\n313.00 1.108e-19 1.0000\n314.00 1.075e-19 1.0000\n315.00 1.042e-19 1.0000\n316.00 1.009e-19 1.0000\n317.00 9.764e-20 1.0000\n318.00 9.443e-20 1.0000\n319.00 9.124e-20 1.0000\n320.00 8.808e-20 1.0000\n321.00 8.493e-20 1.0000\n322.00 8.176e-20 1.0000\n323.00 7.853e-20 1.0000\n324.00 7.545e-20 1.0000\n325.00 7.241e-20 1.0000\n326.00 6.942e-20 1.0000\n327.00 6.650e-20 1.0000\n328.00 6.367e-20 1.0000\n329.00 6.092e-20 1.0000\n330.00 5.825e-20 1.0000\n331.00 5.564e-20 1.0000\n332.00 5.307e-20 1.0000\n333.00 5.057e-20 1.0000\n334.00 4.823e-20 1.0000\n335.00 4.593e-20 1.0000\n336.00 4.369e-20 1.0000\n337.00 4.157e-20 1.0000\n338.00 3.953e-20 1.0000\n339.00 3.754e-20 1.0000\n340.00 3.563e-20 1.0000\n341.00 3.381e-20 1.0000\n342.00 3.207e-20 1.0000\n343.00 3.039e-20 1.0000\n344.00 2.879e-20 1.0000\n345.00 2.726e-20 1.0000\n346.00 2.580e-20 1.0000\n347.00 2.444e-20 1.0000\n348.00 2.313e-20 1.0000\n349.00 2.191e-20 1.0000\n350.00 2.071e-20 1.0000\n351.00 1.958e-20 1.0000\n352.00 1.853e-20 1.0000\n353.00 1.750e-20 1.0000\n354.00 1.651e-20 1.0000\n355.00 1.558e-20 1.0000\n356.00 1.471e-20 1.0000\n357.00 1.389e-20 1.0000\n358.00 1.310e-20 1.0000\n359.00 1.237e-20 1.0000\n360.00 1.167e-20 1.0000\n361.00 1.100e-20 1.0000\n362.00 1.038e-20 1.0000\n363.00 9.787e-21 1.0000\n364.00 9.227e-21 1.0000\n365.00 8.697e-21 1.0000\n366.00 8.192e-21 1.0000\n367.00 7.728e-21 1.0000\n368.00 7.283e-21 1.0000\n369.00 6.875e-21 1.0000\n370.00 6.482e-21 1.0000\n371.00 6.107e-21 1.0000\n372.00 5.759e-21 1.0000\n373.00 5.429e-21 1.0000\n374.00 5.116e-21 1.0000\n375.00 4.818e-21 1.0000\n376.00 4.544e-21 1.0000\n377.00 4.275e-21 1.0000\n378.00 4.030e-21 1.0000\n379.00 3.799e-21 1.0000\n380.00 3.580e-21 1.0000\n381.00 3.378e-21 1.0000\n382.00 3.180e-21 1.0000\n383.00 3.010e-21 1.0000\n384.00 2.839e-21 1.0000\n385.00 2.679e-21 1.0000\n386.00 2.529e-21 1.0000\n387.00 2.378e-21 1.0000\n388.00 2.242e-21 1.0000\n389.00 2.126e-21 1.0000\n390.00 2.009e-21 1.0000\n391.00 1.890e-21 1.0000\n392.00 1.774e-21 1.0000\n393.00 1.675e-21 1.0000\n394.00 1.579e-21 1.0000\n395.00 1.495e-21 1.0000\n396.00 1.411e-21 1.0000\n397.00 1.328e-21 1.0000\n398.00 1.249e-21 1.0000\n399.00 1.185e-21 1.0000\n400.00 1.124e-21 1.0000\n401.00 1.062e-21 1.0000\n402.00 1.004e-21 1.0000\n403.00 9.484e-22 1.0000\n404.00 8.915e-22 1.0000\n405.00 8.394e-22 1.0000\n406.00 7.958e-22 1.0000\n407.00 7.606e-22 1.0000\n408.00 7.151e-22 1.0000\n409.00 6.751e-22 1.0000\n410.00 6.418e-22 1.0000\n411.00 6.082e-22 1.0000\n412.00 5.695e-22 1.0000\n413.00 5.362e-22 1.0000\n414.00 5.123e-22 1.0000\n415.00 4.862e-22 1.0000\n416.00 4.600e-22 1.0000\n417.00 4.344e-22 1.0000\n418.00 4.107e-22 1.0000\n419.00 3.875e-22 1.0000\n420.00 3.601e-22 1.0000\n421.00 3.360e-22 1.0000\n422.00 3.191e-22 1.0000\n423.00 2.975e-22 1.0000\n424.00 2.880e-22 1.0000\n425.00 2.824e-22 1.0000\n426.00 2.749e-22 1.0000\n427.00 2.457e-22 1.0000\n428.00 2.379e-22 1.0000\n429.00 2.266e-22 1.0000\n430.00 2.124e-22 1.0000\n431.00 2.044e-22 1.0000\n432.00 2.028e-22 1.0000\n433.00 1.846e-22 1.0000\n434.00 1.754e-22 1.0000\n435.00 1.692e-22 1.0000\n436.00 1.543e-22 1.0000\n437.00 1.503e-22 1.0000\n438.00 1.400e-22 1.0000\n439.00 1.288e-22 1.0000\n440.00 1.221e-22 1.0000\n441.00 1.130e-22 1.0000\n442.00 1.133e-22 1.0000\n443.00 1.071e-22 1.0000\n444.00 9.837e-23 1.0000\n445.00 9.050e-23 1.0000\n446.00 8.986e-23 1.0000\n447.00 8.394e-23 1.0000\n448.00 7.585e-23 1.0000\n449.00 7.729e-23 1.0000\n450.00 7.899e-23 1.0000\n451.00 7.242e-23 1.0000\n452.00 6.955e-23 1.0000\n453.00 6.941e-23 1.0000\n454.00 6.138e-23 1.0000\n455.00 6.348e-23 1.0000\n456.00 6.142e-23 1.0000\n457.00 4.725e-23 1.0000\n458.00 5.342e-23 1.0000\n459.00 5.869e-23 1.0000\n460.00 5.474e-23 1.0000\n461.00 4.708e-23 1.0000\n462.00 3.512e-23 1.0000\n463.00 3.570e-23 1.0000\n464.00 4.184e-23 1.0000\n465.00 3.690e-23 1.0000\n466.00 3.836e-23 1.0000\n467.00 3.688e-23 1.0000\n468.00 3.764e-23 1.0000\n469.00 4.390e-23 1.0000\n470.00 3.207e-23 1.0000\n471.00 2.276e-23 1.0000\n472.00 2.207e-23 1.0000\n473.00 2.678e-23 1.0000\n474.00 3.391e-23 1.0000\n475.00 2.053e-23 1.0000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/CLNO_06", "content": "CLNO-06 \n! CLNO absorption cross sections recommended by IUPAC (2005) \n! Wavelength where absorption goes to zero est'd by extrapolation \n! \nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n190.0 4.320E-17 1.0000\n192.0 5.340E-17 1.0000\n194.0 6.150E-17 1.0000\n196.0 6.480E-17 1.0000\n198.0 6.310E-17 1.0000\n200.0 5.860E-17 1.0000\n202.0 5.250E-17 1.0000\n204.0 4.540E-17 1.0000\n206.0 3.840E-17 1.0000\n208.0 3.210E-17 1.0000\n210.0 2.630E-17 1.0000\n212.0 2.180E-17 1.0000\n214.0 1.760E-17 1.0000\n216.0 1.400E-17 1.0000\n218.0 1.110E-17 1.0000\n220.0 8.960E-18 1.0000\n222.0 7.070E-18 1.0000\n224.0 5.520E-18 1.0000\n226.0 4.360E-18 1.0000\n228.0 3.390E-18 1.0000\n230.0 2.660E-18 1.0000\n232.0 2.120E-18 1.0000\n234.0 1.640E-18 1.0000\n236.0 1.280E-18 1.0000\n238.0 1.010E-18 1.0000\n240.0 8.250E-19 1.0000\n242.0 6.720E-19 1.0000\n244.0 5.510E-19 1.0000\n246.0 4.520E-19 1.0000\n248.0 3.770E-19 1.0000\n250.0 3.170E-19 1.0000\n252.0 2.740E-19 1.0000\n254.0 2.370E-19 1.0000\n256.0 2.130E-19 1.0000\n258.0 1.900E-19 1.0000\n260.0 1.750E-19 1.0000\n262.0 1.650E-19 1.0000\n264.0 1.530E-19 1.0000\n266.0 1.440E-19 1.0000\n268.0 1.360E-19 1.0000\n270.0 1.290E-19 1.0000\n272.0 1.230E-19 1.0000\n274.0 1.180E-19 1.0000\n276.0 1.130E-19 1.0000\n278.0 1.070E-19 1.0000\n280.0 1.060E-19 1.0000\n282.0 1.020E-19 1.0000\n284.0 9.990E-20 1.0000\n286.0 9.840E-20 1.0000\n288.0 9.710E-20 1.0000\n290.0 9.640E-20 1.0000\n292.0 9.630E-20 1.0000\n294.0 9.690E-20 1.0000\n296.0 9.710E-20 1.0000\n298.0 9.890E-20 1.0000\n300.0 1.000E-19 1.0000\n302.0 1.030E-19 1.0000\n304.0 1.050E-19 1.0000\n306.0 1.080E-19 1.0000\n308.0 1.110E-19 1.0000\n310.0 1.150E-19 1.0000\n312.0 1.190E-19 1.0000\n314.0 1.220E-19 1.0000\n316.0 1.250E-19 1.0000\n318.0 1.300E-19 1.0000\n320.0 1.340E-19 1.0000\n322.0 1.360E-19 1.0000\n324.0 1.400E-19 1.0000\n326.0 1.430E-19 1.0000\n328.0 1.460E-19 1.0000\n330.0 1.470E-19 1.0000\n332.0 1.490E-19 1.0000\n334.0 1.510E-19 1.0000\n336.0 1.530E-19 1.0000\n338.0 1.530E-19 1.0000\n340.0 1.520E-19 1.0000\n342.0 1.530E-19 1.0000\n344.0 1.510E-19 1.0000\n346.0 1.510E-19 1.0000\n348.0 1.490E-19 1.0000\n350.0 1.450E-19 1.0000\n355.0 1.360E-19 1.0000\n360.0 1.290E-19 1.0000\n365.0 1.200E-19 1.0000\n370.0 1.100E-19 1.0000\n375.0 9.950E-20 1.0000\n380.0 8.860E-20 1.0000\n385.0 7.820E-20 1.0000\n390.0 6.860E-20 1.0000\n395.0 5.970E-20 1.0000\n400.0 5.130E-20 1.0000\n405.0 4.400E-20 1.0000\n410.0 3.830E-20 1.0000\n415.0 3.380E-20 1.0000\n420.0 2.890E-20 1.0000\n425.0 2.450E-20 1.0000\n430.0 2.210E-20 1.0000\n435.0 2.200E-20 1.0000\n440.0 2.200E-20 1.0000\n445.0 2.070E-20 1.0000\n450.0 1.870E-20 1.0000\n455.0 1.790E-20 1.0000\n460.0 1.950E-20 1.0000\n465.0 2.250E-20 1.0000\n470.0 2.500E-20 1.0000\n475.0 2.610E-20 1.0000\n480.0 2.530E-20 1.0000\n485.0 2.330E-20 1.0000\n490.0 2.070E-20 1.0000\n495.0 1.780E-20 1.0000\n500.0 1.500E-20 1.0000\n527.0 0.000E+00 1.0000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/CLONO", "content": "CLONO \n! CLONO + HV = CL + NO2\t \n!\tFROM IUPAC EVALUATION (1996) \nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n235.0 2.150E-18 1.0000\n240.0 1.760E-18 1.0000\n245.0 1.370E-18 1.0000\n250.0 1.060E-18 1.0000\n255.0 6.500E-19 1.0000\n260.0 6.460E-19 1.0000\n265.0 6.930E-19 1.0000\n270.0 9.030E-19 1.0000\n275.0 1.100E-18 1.0000\n280.0 1.320E-18 1.0000\n285.0 1.440E-18 1.0000\n290.0 1.440E-18 1.0000\n295.0 1.420E-18 1.0000\n300.0 1.290E-18 1.0000\n305.0 1.140E-18 1.0000\n310.0 1.050E-18 1.0000\n315.0 9.810E-19 1.0000\n320.0 8.030E-19 1.0000\n325.0 7.540E-19 1.0000\n330.0 5.870E-19 1.0000\n335.0 5.770E-19 1.0000\n340.0 4.370E-19 1.0000\n345.0 3.570E-19 1.0000\n350.0 2.690E-19 1.0000\n355.0 2.290E-19 1.0000\n360.0 1.610E-19 1.0000\n365.0 1.130E-19 1.0000\n370.0 9.000E-20 1.0000\n375.0 6.900E-20 1.0000\n380.0 4.100E-20 1.0000\n385.0 3.300E-20 1.0000\n390.0 2.200E-20 1.0000\n395.0 1.500E-20 1.0000\n400.0 6.000E-21 1.0000\n405.0 0.000E+00 1.0000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/CLONO2-1", "content": "CLONO2-1 \n! CLONO2 + hv = CLO. + NO2 \n! CLONO2 absorption cross sections and quantum yields recommended by IUPAC (2005)\n! \nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n280.0 1.190E-19 0.4000\n285.0 8.800E-20 0.4000\n290.0 6.410E-20 0.4000\n295.0 4.380E-20 0.4000\n300.0 3.130E-20 0.4000\n305.0 2.240E-20 0.4000\n310.0 1.600E-20 0.3860\n315.0 1.140E-20 0.3500\n320.0 8.310E-21 0.3140\n325.0 6.130E-21 0.2790\n330.0 4.660E-21 0.2430\n335.0 3.670E-21 0.2070\n340.0 3.020E-21 0.1710\n345.0 2.580E-21 0.1360\n350.0 2.290E-21 0.1000\n355.0 2.080E-21 0.0640\n360.0 2.000E-21 0.0290\n365.0 1.800E-21 0.0000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/CLONO2-2", "content": "CLONO2-2 \n! CLONO2 + hv = CL. + NO3 \n! CLONO2 absorption cross sections and quantum yields recommended by IUPAC (2005)\n! \nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n280.0 1.190E-19 0.6000\n285.0 8.800E-20 0.6000\n290.0 6.410E-20 0.6000\n295.0 4.380E-20 0.6000\n300.0 3.130E-20 0.6000\n305.0 2.240E-20 0.6000\n310.0 1.600E-20 0.6140\n315.0 1.140E-20 0.6500\n320.0 8.310E-21 0.6860\n325.0 6.130E-21 0.7210\n330.0 4.660E-21 0.7570\n335.0 3.670E-21 0.7930\n340.0 3.020E-21 0.8290\n345.0 2.580E-21 0.8640\n350.0 2.290E-21 0.9000\n355.0 2.080E-21 0.9360\n360.0 2.000E-21 0.9710\n365.0 1.800E-21 1.0000\n370.0 1.590E-21 1.0000\n375.0 1.410E-21 1.0000\n380.0 1.210E-21 1.0000\n385.0 1.370E-21 1.0000\n390.0 9.100E-22 1.0000\n395.0 7.600E-22 1.0000\n400.0 6.400E-22 1.0000\n405.0 5.400E-22 1.0000\n410.0 4.400E-22 1.0000\n415.0 3.600E-22 1.0000\n420.0 3.200E-22 1.0000\n425.0 2.300E-22 1.0000\n430.0 1.900E-22 1.0000\n435.0 0.000E+00 1.0000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/CLONO2_1", "content": "CLONO2-1 \n! CLONO2 + hv = CLO. + NO2 \n! CLONO2 absorption cross sections and quantum yields recommended by IUPAC (2005)\n! also consistent with JPL (2015)\nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n196.0 3.100E-18 0.4000\n198.0 2.940E-18 0.4000\n200.0 2.820E-18 0.4000\n202.0 2.770E-18 0.4000\n204.0 2.800E-18 0.4000\n206.0 2.880E-18 0.4000\n208.0 3.000E-18 0.4000\n210.0 3.140E-18 0.4000\n212.0 3.290E-18 0.4000\n214.0 3.390E-18 0.4000\n216.0 3.450E-18 0.4000\n218.0 3.410E-18 0.4000\n220.0 3.320E-18 0.4000\n222.0 3.140E-18 0.4000\n224.0 2.910E-18 0.4000\n226.0 2.640E-18 0.4000\n228.0 2.350E-18 0.4000\n230.0 2.080E-18 0.4000\n232.0 1.820E-18 0.4000\n234.0 1.580E-18 0.4000\n236.0 1.380E-18 0.4000\n238.0 1.200E-18 0.4000\n240.0 1.050E-18 0.4000\n242.0 9.190E-19 0.4000\n244.0 8.120E-19 0.4000\n246.0 7.160E-19 0.4000\n248.0 6.240E-19 0.4000\n250.0 5.600E-19 0.4000\n252.0 5.020E-19 0.4000\n254.0 4.530E-19 0.4000\n256.0 4.100E-19 0.4000\n258.0 3.720E-19 0.4000\n260.0 3.380E-19 0.4000\n262.0 3.060E-19 0.4000\n264.0 2.780E-19 0.4000\n266.0 2.520E-19 0.4000\n268.0 2.270E-19 0.4000\n270.0 2.050E-19 0.4000\n272.0 1.850E-19 0.4000\n274.0 1.660E-19 0.4000\n276.0 1.490E-19 0.4000\n278.0 1.330E-19 0.4000\n280.0 1.190E-19 0.4000\n285.0 8.800E-20 0.4000\n290.0 6.410E-20 0.4000\n295.0 4.380E-20 0.4000\n300.0 3.130E-20 0.4000\n305.0 2.240E-20 0.4000\n310.0 1.600E-20 0.3860\n315.0 1.140E-20 0.3500\n320.0 8.310E-21 0.3140\n325.0 6.130E-21 0.2790\n330.0 4.660E-21 0.2430\n335.0 3.670E-21 0.2070\n340.0 3.020E-21 0.1710\n345.0 2.580E-21 0.1360\n350.0 2.290E-21 0.1000\n355.0 2.080E-21 0.0640\n360.0 2.000E-21 0.0290\n365.0 1.800E-21 0.0000\n370.0 1.590E-21 0.0000\n375.0 1.410E-21 0.0000\n380.0 1.210E-21 0.0000\n385.0 1.370E-21 0.0000\n390.0 9.100E-22 0.0000\n395.0 7.600E-22 0.0000\n400.0 6.400E-22 0.0000\n405.0 5.400E-22 0.0000\n410.0 4.400E-22 0.0000\n415.0 3.600E-22 0.0000\n420.0 3.200E-22 0.0000\n425.0 2.300E-22 0.0000\n430.0 1.900E-22 0.0000\n435.0 0.000E+00 0.0000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/CLONO2_2", "content": "CLONO2-2 \n! CLONO2 + hv = CL. + NO3 \n! CLONO2 absorption cross sections and quantum yields recommended by IUPAC (2005)\n! also consistent with JPL (2015)\nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n196.0 3.100E-18 0.6000\n198.0 2.940E-18 0.6000\n200.0 2.820E-18 0.6000\n202.0 2.770E-18 0.6000\n204.0 2.800E-18 0.6000\n206.0 2.880E-18 0.6000\n208.0 3.000E-18 0.6000\n210.0 3.140E-18 0.6000\n212.0 3.290E-18 0.6000\n214.0 3.390E-18 0.6000\n216.0 3.450E-18 0.6000\n218.0 3.410E-18 0.6000\n220.0 3.320E-18 0.6000\n222.0 3.140E-18 0.6000\n224.0 2.910E-18 0.6000\n226.0 2.640E-18 0.6000\n228.0 2.350E-18 0.6000\n230.0 2.080E-18 0.6000\n232.0 1.820E-18 0.6000\n234.0 1.580E-18 0.6000\n236.0 1.380E-18 0.6000\n238.0 1.200E-18 0.6000\n240.0 1.050E-18 0.6000\n242.0 9.190E-19 0.6000\n244.0 8.120E-19 0.6000\n246.0 7.160E-19 0.6000\n248.0 6.240E-19 0.6000\n250.0 5.600E-19 0.6000\n252.0 5.020E-19 0.6000\n254.0 4.530E-19 0.6000\n256.0 4.100E-19 0.6000\n258.0 3.720E-19 0.6000\n260.0 3.380E-19 0.6000\n262.0 3.060E-19 0.6000\n264.0 2.780E-19 0.6000\n266.0 2.520E-19 0.6000\n268.0 2.270E-19 0.6000\n270.0 2.050E-19 0.6000\n272.0 1.850E-19 0.6000\n274.0 1.660E-19 0.6000\n276.0 1.490E-19 0.6000\n278.0 1.330E-19 0.6000\n280.0 1.190E-19 0.6000\n285.0 8.800E-20 0.6000\n290.0 6.410E-20 0.6000\n295.0 4.380E-20 0.6000\n300.0 3.130E-20 0.6000\n305.0 2.240E-20 0.6000\n310.0 1.600E-20 0.6140\n315.0 1.140E-20 0.6500\n320.0 8.310E-21 0.6860\n325.0 6.130E-21 0.7210\n330.0 4.660E-21 0.7570\n335.0 3.670E-21 0.7930\n340.0 3.020E-21 0.8290\n345.0 2.580E-21 0.8640\n350.0 2.290E-21 0.9000\n355.0 2.080E-21 0.9360\n360.0 2.000E-21 0.9710\n365.0 1.800E-21 1.0000\n370.0 1.590E-21 1.0000\n375.0 1.410E-21 1.0000\n380.0 1.210E-21 1.0000\n385.0 1.370E-21 1.0000\n390.0 9.100E-22 1.0000\n395.0 7.600E-22 1.0000\n400.0 6.400E-22 1.0000\n405.0 5.400E-22 1.0000\n410.0 4.400E-22 1.0000\n415.0 3.600E-22 1.0000\n420.0 3.200E-22 1.0000\n425.0 2.300E-22 1.0000\n430.0 1.900E-22 1.0000\n435.0 0.000E+00 1.0000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/COHBR_JPL2010", "content": "COHBR_JPL2010\n! COHBR + HV = BR + CO + HO2\n! COHBR Photolysis data (QY assumed)\n! Supplied by Golam Sarwar \n! Created from NASA/JPL 2010 dataset\nPoints (these data can be treated as point values)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n240.0\t1.87E-19\t1.000\n241.0\t2.01E-19\t1.000\n242.0\t1.94E-19\t1.000\n243.0\t1.98E-19\t1.000\n244.0\t1.91E-19\t1.000\n245.0\t2.00E-19\t1.000\n246.0\t2.26E-19\t1.000\n247.0\t2.26E-19\t1.000\n248.0\t2.36E-19\t1.000\n249.0\t2.25E-19\t1.000\n250.0\t2.23E-19\t1.000\n251.0\t2.40E-19\t1.000\n252.0\t2.50E-19\t1.000\n253.0\t2.71E-19\t1.000\n254.0\t2.69E-19\t1.000\n255.0\t2.75E-19\t1.000\n256.0\t2.75E-19\t1.000\n257.0\t2.69E-19\t1.000\n258.0\t2.88E-19\t1.000\n259.0\t2.89E-19\t1.000\n260.0\t3.19E-19\t1.000\n261.0\t3.01E-19\t1.000\n262.0\t3.24E-19\t1.000\n263.0\t2.99E-19\t1.000\n264.0\t3.11E-19\t1.000\n265.0\t2.99E-19\t1.000\n266.0\t3.25E-19\t1.000\n267.0\t3.16E-19\t1.000\n268.0\t3.38E-19\t1.000\n269.0\t3.09E-19\t1.000\n270.0\t3.19E-19\t1.000\n271.0\t3.09E-19\t1.000\n272.0\t2.96E-19\t1.000\n273.0\t3.14E-19\t1.000\n274.0\t2.93E-19\t1.000\n275.0\t3.15E-19\t1.000\n276.0\t2.85E-19\t1.000\n277.0\t2.91E-19\t1.000\n278.0\t2.68E-19\t1.000\n279.0\t2.56E-19\t1.000\n280.0\t2.51E-19\t1.000\n281.0\t2.32E-19\t1.000\n282.0\t2.38E-19\t1.000\n283.0\t2.20E-19\t1.000\n284.0\t2.17E-19\t1.000\n285.0\t2.01E-19\t1.000\n286.0\t1.91E-19\t1.000\n287.0\t1.75E-19\t1.000\n288.0\t1.73E-19\t1.000\n289.0\t1.49E-19\t1.000\n290.0\t1.55E-19\t1.000\n291.0\t1.27E-19\t1.000\n292.0\t1.33E-19\t1.000\n293.0\t1.11E-19\t1.000\n294.0\t1.08E-19\t1.000\n295.0\t9.79E-20\t1.000\n296.0\t9.08E-20\t1.000\n297.0\t8.03E-20\t1.000\n298.0\t7.35E-20\t1.000\n299.0\t5.97E-20\t1.000\n300.0\t5.86E-20\t1.000\n301.0\t5.25E-20\t1.000\n302.0\t4.47E-20\t1.000\n303.0\t4.38E-20\t1.000\n304.0\t3.53E-20\t1.000\n305.0\t3.18E-20\t1.000\n306.0\t2.77E-20\t1.000\n307.0\t2.43E-20\t1.000\n308.0\t2.12E-20\t1.000\n309.0\t1.90E-20\t1.000\n310.0\t1.65E-20\t1.000\n311.0\t1.51E-20\t1.000\n312.0\t1.34E-20\t1.000\n313.0\t1.13E-20\t1.000\n314.0\t1.01E-20\t1.000\n315.0\t8.01E-21\t1.000\n316.0\t6.87E-21\t1.000\n317.0\t6.13E-21\t1.000\n318.0\t6.11E-21\t1.000\n319.0\t5.76E-21\t1.000\n320.0\t5.22E-21\t1.000\n321.0\t4.76E-21\t1.000\n322.0\t4.24E-21\t1.000\n323.0\t3.63E-21\t1.000\n324.0\t3.08E-21\t1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/COOH", "content": "COOH \n! CH3OOH + HV = PRODUCTS \n! IUPAC (1997). Also recommend unit quantum yields. \n! wl abs qy \nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n210.0 3.120E-19 1.0000\n215.0 2.090E-19 1.0000\n220.0 1.540E-19 1.0000\n225.0 1.220E-19 1.0000\n230.0 9.620E-20 1.0000\n235.0 7.610E-20 1.0000\n240.0 6.050E-20 1.0000\n245.0 4.880E-20 1.0000\n250.0 3.980E-20 1.0000\n255.0 3.230E-20 1.0000\n260.0 2.560E-20 1.0000\n265.0 2.110E-20 1.0000\n270.0 1.700E-20 1.0000\n275.0 1.390E-20 1.0000\n280.0 1.090E-20 1.0000\n285.0 8.630E-21 1.0000\n290.0 6.910E-21 1.0000\n295.0 5.510E-21 1.0000\n300.0 4.130E-21 1.0000\n305.0 3.130E-21 1.0000\n310.0 2.390E-21 1.0000\n315.0 1.820E-21 1.0000\n320.0 1.370E-21 1.0000\n325.0 1.050E-21 1.0000\n330.0 7.900E-22 1.0000\n335.0 6.100E-22 1.0000\n340.0 4.700E-22 1.0000\n345.0 3.500E-22 1.0000\n350.0 2.700E-22 1.0000\n355.0 2.100E-22 1.0000\n360.0 1.600E-22 1.0000\n365.0 1.200E-22 1.0000\n370.0 0.000E+00 1.0000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/COOH_SAPRC99", "content": "COOH\n! CH3OOH + HV = PRODUCTS\n! SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\n! Created from PhotDat.xls on 29-Jan-2000 10:07\nPoints (the mechanism was evaluated assuming this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n210.0 3.120E-19 1.000\n215.0 2.090E-19 1.000\n220.0 1.540E-19 1.000\n225.0 1.220E-19 1.000\n230.0 9.620E-20 1.000\n235.0 7.610E-20 1.000\n240.0 6.050E-20 1.000\n245.0 4.880E-20 1.000\n250.0 3.980E-20 1.000\n255.0 3.230E-20 1.000\n260.0 2.560E-20 1.000\n265.0 2.110E-20 1.000\n270.0 1.700E-20 1.000\n275.0 1.390E-20 1.000\n280.0 1.090E-20 1.000\n285.0 8.630E-21 1.000\n290.0 6.910E-21 1.000\n295.0 5.510E-21 1.000\n300.0 4.130E-21 1.000\n305.0 3.130E-21 1.000\n310.0 2.390E-21 1.000\n315.0 1.820E-21 1.000\n320.0 1.370E-21 1.000\n325.0 1.050E-21 1.000\n330.0 7.900E-22 1.000\n335.0 6.100E-22 1.000\n340.0 4.700E-22 1.000\n345.0 3.500E-22 1.000\n350.0 2.700E-22 1.000\n355.0 2.100E-22 1.000\n360.0 1.600E-22 1.000\n365.0 1.200E-22 1.000\n370.0 0.000E+00 1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/ETHLN_RACM2", "content": "ETHLN_RACM2 \t\t\n! ETHLN + hv = NO2 + HO2 + CO + HCHO j(ethln) \n! cross section based on Mller et al. 2014 (Fig.2)\n! quantum yield based on Mller (2014). \t\t\n! They assume a near-unit quantum yield for ethanal nitrate\n! Made by Azimeh Zare \t\t \t\t\nPoints (the mechanism evaluated with this format) \t\t\n! With \"FAC,\" units are (cm^2/molecule) \t\t\nFAC=1.0 \t\t\n255 10.0E-20 0.94 \n260 8.53E-20 0.94 \t\t\n265 8.00E-20 0.92 \t\t\n270 7.50E-20 0.9 \t\t\n275 7.50E-20 0.9 \t\t\n280 7.45E-20 0.9 \t\t\n285 7.20E-20 0.9 \t\t\n290 7.10E-20 0.9 \t\t\n295 6.90E-20 0.9 \t\t\n300 6.90E-20 0.9 \t\t\n305 6.10E-20 0.9 \t\t\n310 6.00E-20 0.9 \t\t\n315 5.00E-20 0.9 \t\t\n320 4.70E-20 0.9 \t\t\n325 4.10E-20 0.9 \t\t\n330 3.90E-20 0.9 \t\t\n335 2.00E-20 0.9 \t\t\n340 0.90E-20 0.9 \t\t\n345 0.00E+00 0.9 \t\t\n350 0.00E+00 0.9 \t\t\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/ETHYNO3_MCMv32", "content": "ETHYNO3_MCMv32\n!ethyl nitrate cross-sections (CH3CH2ONO2)\n!CH3CH2ONO2 --> C2H5O + NO2\n!MPI-Mainz Spectral Atlas\n!IUPAC 2015 recommendation\n!http://iupac.pole-ether.fr/htdocs/datasheets/pdf/P15_C2H5ONO2+hv.pdf dated May 2002\n!\n!298K cs from:\n!M. P. Turberg, D. M. Giolando, C. Tilt, T. Soper, S. Mason, M. Davies, P. Klingensmith,\n!and G. A. Takacs, J. Photochem. Photobiol. A51, 281 (1990)\n!\n!T dependence average from:\n!1. L. Zhu and C.-F. Ding, Chem. Phys. Lett. 265, 177 (1997).\n!2. K. C. Clemitshaw, J. Williams, O. V. Rattigan, D. E. Shallcross, K. S. Law, and R. A.\n! Cox, J. Photochem. Photobiol. A: Chemistry 102, 117 (1997).\n!3. R. K. Talukdar, J. B. Burkholder, M. Hunter, M. K. Giles, J. M. Roberts, and A. R.\n! Ravishankara, J. Chem. Soc. Faraday Trans. 93, 2797 (1997)\n!\n!Quantum Yield\n!\n!phi (CH3CH2O + NO2) = unity from 290 nm to 340 nm\n!\n!ln(sigma(T,lambda)) - ln(sigma(298,lambda)) = B * (T-298)\n!\n!C2H5CHO (298K and 1 bar) photolysis quantum yields (C2H5 + HCO)\t\t\t\t\n!\t\t\t\t\n!Chen and Zhu J. Phys. Chem. A., 105, 9689 (2001)\t\t\t\t\n!nm sig(298K) qy B(K-1)\nPoints (the mechanism evaluated with this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n235.0 1.10E-19 1.000 0.0014\n240.0 7.70E-20 1.000 0.0028\n245.0 5.40E-20 1.000 0.0029\n250.0 4.50E-20 1.000 0.0028\n255.0 4.10E-20 1.000 0.0026\n260.0 3.90E-20 1.000 0.0026\n265.0 3.60E-20 1.000 0.0029\n270.0 3.10E-20 1.000 0.0031\n275.0 2.70E-20 1.000 0.0033\n280.0 2.20E-20 1.000 0.0036\n285.0 1.70E-20 1.000 0.0038\n290.0 1.20E-20 0.980 0.0042\n295.0 8.50E-21 0.950 0.0047\n300.0 5.50E-21 0.920 0.0051\n305.0 3.30E-21 0.950 0.0058\n310.0 1.90E-21 0.980 0.0067\n315.0 1.00E-21 0.040 0.0079\n320.0 5.10E-22 0.028 0.0086\n325.0 2.60E-22 0.021 0.0104\n330.0 1.20E-22 0.023 0.0129\n335.0 4.90E-23 0.000 0.0141\n340.0 2.50E-23 0.000 0.0156\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/FMCL_IUPAC04", "content": "FMCL_IUPAC04\n! FMCL + hv --> HCO + CL\n! IUPAC Subcommittee on Gas Kinetic Data Evaluation; Data Sheet PCl28 Website: 15th December 2000\n! Website: http://www.iupac-kinetic.ch.cam.ac.uk\n! Reference: H. G. Libuda, F. Zabel, E. H. Fink, and K. H. Becker, J. Phys. Chem. 94, 5860 (1990)\nPOINT\n! With FAC, units are (cm^2/molecule) \nFAC=1.0E-20\n236.1 3.8 1.0\n241.5 4.9 1.0\n247.3 5.6 1.0\n251.4 5.4 1.0\n253.7 6.0 1.0\n256.1 5.6 1.0\n258.2 5.8 1.0\n260.2 6.0 1.0\n263.5 5.1 1.0\n265.7 5.3 1.0\n267.9 5.2 1.0\n269.1 3.9 1.0\n270.2 3.5 1.0\n271.4 4.0 1.0\n273.8 4.1 1.0\n276.3 3.4 1.0\n277.7 2.4 1.0\n278.9 2.1 1.0\n280.2 2.4 1.0\n282.7 2.3 1.0\n285.3 1.64 1.0\n286.8 1.04 1.0\n288.0 0.86 1.0\n289.4 0.97 1.0\n292.2 0.81 1.0\n294.9 0.46 1.0\n296.7 0.32 1.0\n298.1 0.22 1.0\n299.5 0.25 1.0\n302.3 0.172 1.0\n305.2 0.08 1.0\n308.1 0.027 1.0\n309.3 0.021 1.0\n311.1 0.02 1.0\n314.1 0.013 1.0\n316.7 0.008 1.0\n318.7 0.007 1.0\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/FORM_M_IUPAC10", "content": "FORM_M_IUPAC10\n! j(FORM_M) IUPAC(2010) \n! FORM = CO \n! From IUPAC Subcommittee on Gas Kinetic Data Evaluation \n! Data Sheet P1, updated 16th May, 2002 \n!These are point values \nBegining (the mechanism evaluated with this format)\n!WL(nm) XSEC(cm2) QY\nFAC=1.0\n240.0 7.820E-22 0.4900\n241.0 7.750E-22 0.4900\n242.0 1.227E-21 0.4900\n243.0 1.591E-21 0.4900\n244.0 1.096E-21 0.4900\n245.0 1.313E-21 0.4900\n246.0 1.634E-21 0.4900\n247.0 1.511E-21 0.4900\n248.0 2.338E-21 0.4900\n249.0 3.178E-21 0.4900\n250.0 2.572E-21 0.4900\n251.0 2.039E-21 0.4900\n252.0 3.366E-21 0.4900\n253.0 2.894E-21 0.4900\n254.0 3.417E-21 0.4900\n255.0 4.502E-21 0.4900\n256.0 6.282E-21 0.4900\n257.0 4.430E-21 0.4900\n258.0 3.073E-21 0.4900\n259.0 6.174E-21 0.4900\n260.0 6.045E-21 0.4900\n261.0 6.591E-21 0.4780\n262.0 6.033E-21 0.4660\n263.0 1.077E-20 0.4540\n264.0 9.465E-21 0.4420\n265.0 5.305E-21 0.4300\n266.0 5.387E-21 0.4180\n267.0 1.360E-20 0.4060\n268.0 1.243E-20 0.3940\n269.0 9.908E-21 0.3830\n270.0 9.626E-21 0.3770\n271.0 1.941E-20 0.3700\n272.0 1.430E-20 0.3640\n273.0 8.106E-21 0.3570\n274.0 6.575E-21 0.3510\n275.0 2.143E-20 0.3440\n276.0 2.584E-20 0.3380\n277.0 1.573E-20 0.3310\n278.0 1.035E-20 0.3250\n279.0 2.451E-20 0.3160\n280.0 2.340E-20 0.302\n281.0 1.560E-20 0.287\n282.0 9.730E-21 0.273\n283.0 7.220E-21 0.258\n284.0 4.260E-20 0.245\n285.0 4.050E-20 0.239\n286.0 2.100E-20 0.232\n287.0 1.150E-20 0.226\n288.0 3.170E-20 0.219\n289.0 3.220E-20 0.218\n290.0 1.170E-20 0.232\n291.0 1.840E-20 0.246\n292.0 7.970E-21 0.261\n293.0 3.130E-20 0.275\n294.0 7.150E-20 0.289\n295.0 4.050E-20 0.302\n296.0 2.470E-20 0.314\n297.0 1.370E-20 0.326\n298.0 4.220E-20 0.339\n299.0 3.170E-20 0.341\n300.0 9.640E-21 0.312\n301.0 1.620E-20 0.282\n302.0 8.540E-21 0.259\n303.0 3.020E-20 0.237\n304.0 7.220E-20 0.230\n305.0 4.750E-20 0.268\n306.0 4.290E-20 0.306\n307.0 1.780E-20 0.301\n308.0 1.380E-20 0.280\n309.0 3.250E-20 0.268\n310.0 1.740E-20 0.281\n311.0 4.620E-21 0.293\n312.0 1.190E-20 0.293\n313.0 9.060E-21 0.288\n314.0 5.640E-20 0.289\n315.0 5.570E-20 0.306\n316.0 2.560E-20 0.323\n317.0 5.780E-20 0.329\n318.0 3.150E-20 0.331\n319.0 9.780E-21 0.333\n320.0 1.190E-20 0.335\n321.0 1.600E-20 0.337\n322.0 7.220E-21 0.354\n323.0 3.280E-21 0.377\n324.0 8.580E-21 0.400\n325.0 1.580E-20 0.423\n326.0 6.880E-20 0.446\n327.0 4.370E-20 0.490\n328.0 1.220E-20 0.540\n329.0 3.120E-20 0.562\n330.0 3.870E-20 0.501\n331.0 1.410E-20 0.439\n332.0 3.470E-21 0.444\n333.0 2.140E-21 0.470\n334.0 1.590E-21 0.503\n335.0 9.670E-22 0.558\n336.0 1.260E-21 0.613\n337.0 3.830E-21 0.607\n338.0 1.920E-20 0.579\n339.0 5.380E-20 0.559\n340.0 3.150E-20 0.560\n341.0 9.780E-21 0.525\n342.0 5.090E-21 0.490\n343.0 1.920E-20 0.455\n344.0 1.270E-20 0.420\n345.0 4.370E-21 0.385\n346.0 1.190E-21 0.350\n347.0 4.410E-22 0.315\n348.0 7.540E-22 0.280\n349.0 3.790E-22 0.245\n350.0 3.620E-22 0.210\n351.0 8.930E-22 0.192\n352.0 7.300E-21 0.174\n353.0 2.280E-20 0.156\n354.0 1.640E-20 0.138\n355.0 6.960E-21 0.120\n356.0 1.480E-21 0.102\n357.0 3.450E-22 0.084\n358.0 1.860E-22 0.066\n359.0 1.110E-22 0.048\n360.0 8.700E-23 0.030\n361.0 1.000E-22 0.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/FORM_M_IUPAC13", "content": "FORM_M_IUPAC13\n! j(FORM_M) IUPAC(2013) \n! FORM = CO \n! From IUPAC Subcommittee on Gas Kinetic Data Evaluation \n! Data Sheet P1, updated 16th April, 2013\n! Note that QY was calculated using the difference between\n! total quantum yield and the yield for the radical channel.\n!These are point values \nPOINT\n!WL(nm) XSEC(cm2) QY\nFAC=1.0\n226.0 1.800E-22 0.530\n227.0 1.700E-22 0.530\n228.0 1.800E-22 0.530\n229.0 1.900E-22 0.530\n230.0 2.100E-22 0.530\n231.0 1.700E-22 0.530\n232.0 3.400E-22 0.530\n233.0 2.600E-22 0.530\n234.0 3.300E-22 0.530\n235.0 3.600E-22 0.530\n236.0 5.400E-22 0.530\n237.0 7.700E-22 0.530\n238.0 5.700E-22 0.530\n239.0 6.800E-22 0.530\n240.0 7.800E-22 0.530\n241.0 7.800E-22 0.525\n242.0 1.230E-21 0.520\n243.0 1.590E-21 0.515\n244.0 1.100E-21 0.510\n245.0 1.310E-21 0.505\n246.0 1.630E-21 0.500\n247.0 1.510E-21 0.495\n248.0 2.340E-21 0.490\n249.0 3.180E-21 0.485\n250.0 2.570E-21 0.480\n251.0 2.040E-21 0.481\n252.0 3.370E-21 0.482\n253.0 2.890E-21 0.483\n254.0 3.420E-21 0.484\n255.0 4.500E-21 0.485\n256.0 6.280E-21 0.486\n257.0 4.430E-21 0.487\n258.0 3.070E-21 0.488\n259.0 6.170E-21 0.489\n260.0 6.050E-21 0.490\n261.0 6.590E-21 0.481\n262.0 6.030E-21 0.472\n263.0 1.077E-20 0.463\n264.0 9.470E-21 0.454\n265.0 5.310E-21 0.446\n266.0 5.390E-21 0.437\n267.0 1.360E-20 0.428\n268.0 1.243E-20 0.419\n269.0 9.910E-21 0.410\n270.0 9.630E-21 0.401\n271.0 1.941E-20 0.392\n272.0 1.430E-20 0.383\n273.0 8.110E-21 0.374\n274.0 6.580E-21 0.365\n275.0 2.143E-20 0.356\n276.0 2.584E-20 0.347\n277.0 1.573E-20 0.338\n278.0 1.035E-20 0.329\n279.0 2.451E-20 0.320\n280.0 2.338E-20 0.300\n281.0 1.562E-20 0.270\n282.0 9.730E-21 0.270\n283.0 7.220E-21 0.250\n284.0 4.265E-20 0.260\n285.0 4.050E-20 0.310\n286.0 2.095E-20 0.320\n287.0 1.153E-20 0.300\n288.0 3.169E-20 0.290\n289.0 3.225E-20 0.290\n290.0 1.173E-20 0.280\n291.0 1.836E-20 0.270\n292.0 7.970E-21 0.270\n293.0 3.128E-20 0.260\n294.0 7.154E-20 0.300\n295.0 4.054E-20 0.210\n296.0 2.474E-20 0.240\n297.0 1.367E-20 0.250\n298.0 4.217E-20 0.330\n299.0 3.175E-20 0.350\n300.0 9.640E-21 0.300\n301.0 1.625E-20 0.300\n302.0 8.540E-21 0.270\n303.0 3.021E-20 0.286\n304.0 7.219E-20 0.250\n305.0 4.752E-20 0.290\n306.0 4.292E-20 0.358\n307.0 1.781E-20 0.320\n308.0 1.385E-20 0.300\n309.0 3.252E-20 0.290\n310.0 1.737E-20 0.300\n311.0 4.620E-21 0.320\n312.0 1.188E-20 0.331\n313.0 9.060E-21 0.270\n314.0 5.637E-20 0.319\n315.0 5.565E-20 0.220\n316.0 2.561E-20 0.250\n317.0 5.777E-20 0.347\n318.0 3.151E-20 0.340\n319.0 9.780E-21 0.426\n320.0 1.194E-20 0.400\n321.0 1.598E-20 0.350\n322.0 7.220E-21 0.420\n323.0 3.280E-21 0.525\n324.0 8.580E-21 0.510\n325.0 1.578E-20 0.540\n340.0 3.151E-20 0.640\n341.0 9.780E-21 0.610\n342.0 5.090E-21 0.580\n343.0 1.922E-20 0.550\n344.0 1.268E-20 0.510\n345.0 4.370E-21 0.500\n346.0 1.190E-21 0.470\n347.0 4.400E-22 0.440\n348.0 7.500E-22 0.420\n349.0 3.800E-22 0.380\n350.0 3.600E-22 0.360\n351.0 8.900E-22 0.330\n352.0 7.300E-21 0.300\n353.0 2.275E-20 0.280\n354.0 1.645E-20 0.250\n355.0 6.960E-21 0.120\n356.0 1.480E-21 0.100\n357.0 3.500E-22 0.070\n358.0 1.900E-22 0.040\n359.0 1.100E-22 0.010\n360.0 9.000E-23 0.000\n361.0 1.000E-22 0.000\n362.0 2.100E-22 0.000\n363.0 1.400E-22 0.000\n364.0 9.000E-23 0.000\n365.0 9.000E-23 0.000\n366.0 9.000E-23 0.000\n367.0 9.000E-23 0.000\n368.0 1.400E-22 0.000\n369.0 3.000E-22 0.000\n370.0 6.400E-22 0.000\n371.0 5.700E-22 0.000\n372.0 2.000E-22 0.000\n373.0 1.100E-22 0.000\n374.0 9.000E-23 0.000\n375.0 9.000E-23 0.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/FORM_R_IUPAC10", "content": "FORM_R_IUPAC10\n! j(FORM_R) IUPAC(2010) \n! FORM = 2 HO2 + CO \n! From IUPAC Subcommittee on Gas Kinetic Data Evaluation \n! Data Sheet P1, updated 16th May, 2002 \n!These are point values \nBegining (the mechanism evaluated with this format)\n!WL(nm) XSEC(cm2) QY\nFAC=1.0\n240.0 7.820E-22 0.2700\n241.0 7.750E-22 0.2720\n242.0 1.227E-21 0.2740\n243.0 1.591E-21 0.2760\n244.0 1.096E-21 0.2780\n245.0 1.313E-21 0.2800\n246.0 1.634E-21 0.2820\n247.0 1.511E-21 0.2840\n248.0 2.338E-21 0.2860\n249.0 3.178E-21 0.2880\n250.0 2.572E-21 0.2900\n251.0 2.039E-21 0.2910\n252.0 3.366E-21 0.2920\n253.0 2.894E-21 0.2930\n254.0 3.417E-21 0.2940\n255.0 4.502E-21 0.2950\n256.0 6.282E-21 0.2960\n257.0 4.430E-21 0.2970\n258.0 3.073E-21 0.2980\n259.0 6.174E-21 0.2990\n260.0 6.045E-21 0.3000\n261.0 6.591E-21 0.3140\n262.0 6.033E-21 0.3290\n263.0 1.077E-20 0.3430\n264.0 9.465E-21 0.3570\n265.0 5.305E-21 0.3710\n266.0 5.387E-21 0.3860\n267.0 1.360E-20 0.4000\n268.0 1.243E-20 0.4140\n269.0 9.908E-21 0.4290\n270.0 9.626E-21 0.4430\n271.0 1.941E-20 0.4580\n272.0 1.430E-20 0.4720\n273.0 8.106E-21 0.4870\n274.0 6.575E-21 0.5010\n275.0 2.143E-20 0.5160\n276.0 2.584E-20 0.5300\n277.0 1.573E-20 0.5450\n278.0 1.035E-20 0.5590\n279.0 2.451E-20 0.5750\n280.0 2.340E-20 0.596\n281.0 1.560E-20 0.616\n282.0 9.730E-21 0.637\n283.0 7.220E-21 0.658\n284.0 4.260E-20 0.677\n285.0 4.050E-20 0.691\n286.0 2.100E-20 0.706\n287.0 1.150E-20 0.721\n288.0 3.170E-20 0.735\n289.0 3.220E-20 0.743\n290.0 1.170E-20 0.733\n291.0 1.840E-20 0.723\n292.0 7.970E-21 0.712\n293.0 3.130E-20 0.702\n294.0 7.150E-20 0.691\n295.0 4.050E-20 0.681\n296.0 2.470E-20 0.671\n297.0 1.370E-20 0.660\n298.0 4.220E-20 0.650\n299.0 3.170E-20 0.650\n300.0 9.640E-21 0.684\n301.0 1.620E-20 0.717\n302.0 8.540E-21 0.742\n303.0 3.020E-20 0.764\n304.0 7.220E-20 0.770\n305.0 4.750E-20 0.732\n306.0 4.290E-20 0.694\n307.0 1.780E-20 0.699\n308.0 1.380E-20 0.720\n309.0 3.250E-20 0.732\n310.0 1.740E-20 0.720\n311.0 4.620E-21 0.707\n312.0 1.190E-20 0.707\n313.0 9.060E-21 0.712\n314.0 5.640E-20 0.711\n315.0 5.570E-20 0.694\n316.0 2.560E-20 0.677\n317.0 5.780E-20 0.672\n318.0 3.150E-20 0.670\n319.0 9.780E-21 0.668\n320.0 1.190E-20 0.666\n321.0 1.600E-20 0.664\n322.0 7.220E-21 0.643\n323.0 3.280E-21 0.616\n324.0 8.580E-21 0.589\n325.0 1.580E-20 0.562\n326.0 6.880E-20 0.535\n327.0 4.370E-20 0.482\n328.0 1.220E-20 0.420\n329.0 3.120E-20 0.383\n330.0 3.870E-20 0.425\n331.0 1.410E-20 0.466\n332.0 3.470E-21 0.427\n333.0 2.140E-21 0.361\n334.0 1.590E-21 0.287\n335.0 9.670E-22 0.192\n336.0 1.260E-21 0.096\n337.0 3.830E-21 0.063\n338.0 1.920E-20 0.050\n339.0 5.380E-20 0.033\n340.0 3.150E-20 0.000\n341.0 9.780E-21 0.000\n342.0 5.090E-21 0.000\n343.0 1.920E-20 0.000\n344.0 1.270E-20 0.000\n345.0 4.370E-21 0.000\n346.0 1.190E-21 0.000\n347.0 4.410E-22 0.000\n348.0 7.540E-22 0.000\n349.0 3.790E-22 0.000\n350.0 3.620E-22 0.000\n351.0 8.930E-22 0.000\n352.0 7.300E-21 0.000\n353.0 2.280E-20 0.000\n354.0 1.640E-20 0.000\n355.0 6.960E-21 0.000\n356.0 1.480E-21 0.000\n357.0 3.450E-22 0.000\n358.0 1.860E-22 0.000\n359.0 1.110E-22 0.000\n361.0 1.000E-22 0.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/FORM_R_IUPAC13", "content": "FORM_R_IUPAC13\n! j(FORM_R) IUPAC(2013) \n! FORM = 2*HO2 + CO \n! From IUPAC Subcommittee on Gas Kinetic Data Evaluation \n! Data Sheet P1, updated 16th April, 2013 \n!These are point values \nPOINT\n!WL(nm) XSEC(cm2) QY\nFAC=1.0\n226.0 1.800E-22 0.270\n227.0 1.700E-22 0.270\n228.0 1.800E-22 0.270\n229.0 1.900E-22 0.270\n230.0 2.100E-22 0.270\n231.0 1.700E-22 0.270\n232.0 3.400E-22 0.270\n233.0 2.600E-22 0.270\n234.0 3.300E-22 0.270\n235.0 3.600E-22 0.270\n236.0 5.400E-22 0.270\n237.0 7.700E-22 0.270\n238.0 5.700E-22 0.270\n239.0 6.800E-22 0.270\n240.0 7.800E-22 0.270\n241.0 7.800E-22 0.275\n242.0 1.230E-21 0.280\n243.0 1.590E-21 0.285\n244.0 1.100E-21 0.290\n245.0 1.310E-21 0.295\n246.0 1.630E-21 0.300\n247.0 1.510E-21 0.305\n248.0 2.340E-21 0.310\n249.0 3.180E-21 0.315\n250.0 2.570E-21 0.320\n251.0 2.040E-21 0.319\n252.0 3.370E-21 0.318\n253.0 2.890E-21 0.317\n254.0 3.420E-21 0.316\n255.0 4.500E-21 0.315\n256.0 6.280E-21 0.314\n257.0 4.430E-21 0.313\n258.0 3.070E-21 0.312\n259.0 6.170E-21 0.311\n260.0 6.050E-21 0.310\n261.0 6.590E-21 0.320\n262.0 6.030E-21 0.330\n263.0 1.077E-20 0.340\n264.0 9.470E-21 0.350\n265.0 5.310E-21 0.360\n266.0 5.390E-21 0.370\n267.0 1.360E-20 0.380\n268.0 1.243E-20 0.390\n269.0 9.910E-21 0.400\n270.0 9.630E-21 0.416\n271.0 1.941E-20 0.432\n272.0 1.430E-20 0.448\n273.0 8.110E-21 0.464\n274.0 6.580E-21 0.480\n275.0 2.143E-20 0.496\n276.0 2.584E-20 0.512\n277.0 1.573E-20 0.528\n278.0 1.035E-20 0.544\n279.0 2.451E-20 0.560\n280.0 2.338E-20 0.580\n281.0 1.562E-20 0.600\n282.0 9.730E-21 0.620\n283.0 7.220E-21 0.640\n284.0 4.265E-20 0.650\n285.0 4.050E-20 0.670\n286.0 2.095E-20 0.680\n287.0 1.153E-20 0.700\n288.0 3.169E-20 0.710\n289.0 3.225E-20 0.710\n290.0 1.173E-20 0.720\n291.0 1.836E-20 0.730\n292.0 7.970E-21 0.730\n293.0 3.128E-20 0.740\n294.0 7.154E-20 0.700\n295.0 4.054E-20 0.790\n296.0 2.474E-20 0.760\n297.0 1.367E-20 0.750\n298.0 4.217E-20 0.670\n299.0 3.175E-20 0.650\n300.0 9.640E-21 0.700\n301.0 1.625E-20 0.700\n302.0 8.540E-21 0.730\n303.0 3.021E-20 0.714\n304.0 7.219E-20 0.750\n305.0 4.752E-20 0.710\n306.0 4.292E-20 0.642\n307.0 1.781E-20 0.680\n308.0 1.385E-20 0.700\n309.0 3.252E-20 0.710\n310.0 1.737E-20 0.700\n311.0 4.620E-21 0.680\n312.0 1.188E-20 0.669\n313.0 9.060E-21 0.730\n314.0 5.637E-20 0.681\n315.0 5.565E-20 0.780\n316.0 2.561E-20 0.750\n317.0 5.777E-20 0.653\n318.0 3.151E-20 0.660\n319.0 9.780E-21 0.574\n320.0 1.194E-20 0.600\n321.0 1.598E-20 0.650\n322.0 7.220E-21 0.580\n323.0 3.280E-21 0.475\n324.0 8.580E-21 0.490\n325.0 1.578E-20 0.460\n340.0 3.151E-20 0.010\n341.0 9.780E-21 0.008\n342.0 5.090E-21 0.008\n343.0 1.922E-20 0.008\n344.0 1.268E-20 0.007\n345.0 4.370E-21 0.007\n346.0 1.190E-21 0.007\n347.0 4.400E-22 0.007\n348.0 7.500E-22 0.007\n349.0 3.800E-22 0.006\n350.0 3.600E-22 0.006\n351.0 8.900E-22 0.005\n352.0 7.300E-21 0.005\n353.0 2.275E-20 0.005\n354.0 1.645E-20 0.005\n355.0 6.960E-21 0.005\n356.0 1.480E-21 0.000\n357.0 3.500E-22 0.000\n358.0 1.900E-22 0.000\n359.0 1.100E-22 0.000\n360.0 9.000E-23 0.000\n361.0 1.000E-22 0.000\n362.0 2.100E-22 0.000\n363.0 1.400E-22 0.000\n364.0 9.000E-23 0.000\n365.0 9.000E-23 0.000\n366.0 9.000E-23 0.000\n367.0 9.000E-23 0.000\n368.0 1.400E-22 0.000\n369.0 3.000E-22 0.000\n370.0 6.400E-22 0.000\n371.0 5.700E-22 0.000\n372.0 2.000E-22 0.000\n373.0 1.100E-22 0.000\n374.0 9.000E-23 0.000\n375.0 9.000E-23 0.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/GLY-07M", "content": "GLY-07M \n! HCOCHO + HV = HCHO + H2 \n! Absorption cross sections from Volkamer, R., P. Spietz, J. Burrows, \n! and U. Platt (2005): \"High-resolution absorption cross sections of \n! glyoxal in the UV-vis and IR spectral ranges,\" J. Photochem. Photobiol. \n! A, 172 35-46. Quantum yields at wavelengths below 350 nm derived from \n! those used for the radical forming process assuming total quantum \n! yields of 1. Quantum yields at higher wavelengths assumed to decline \n! expodentially at a rate that gives a 13% formaldehyde yield telative to \n! photodecomposition under the conditions of Plum et al (1983). \n! \nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n289.0 3.800E-20 0.6750\n290.0 3.734E-20 0.6740\n291.0 3.643E-20 0.6730\n292.0 3.654E-20 0.6710\n293.0 3.681E-20 0.6700\n294.0 3.729E-20 0.6690\n295.0 3.809E-20 0.6670\n296.0 3.824E-20 0.6660\n297.0 3.922E-20 0.6650\n298.0 4.073E-20 0.6630\n299.0 4.123E-20 0.6620\n300.0 4.045E-20 0.6610\n301.0 3.905E-20 0.6590\n302.0 3.779E-20 0.6580\n303.0 3.567E-20 0.6570\n304.0 3.350E-20 0.6550\n305.0 3.242E-20 0.6540\n306.0 3.223E-20 0.6530\n307.0 3.200E-20 0.6510\n308.0 3.146E-20 0.6500\n309.0 3.123E-20 0.6410\n310.0 3.100E-20 0.6310\n311.0 3.222E-20 0.6220\n312.0 3.343E-20 0.6130\n313.0 3.390E-20 0.6040\n314.0 3.233E-20 0.5940\n315.0 2.805E-20 0.5850\n316.0 2.646E-20 0.5760\n317.0 2.460E-20 0.5660\n318.0 2.214E-20 0.5570\n319.0 1.927E-20 0.5480\n320.0 1.854E-20 0.5380\n321.0 1.885E-20 0.5290\n322.0 1.766E-20 0.5200\n323.0 1.723E-20 0.5110\n324.0 1.677E-20 0.5010\n325.0 1.603E-20 0.4920\n326.0 1.606E-20 0.4830\n327.0 1.695E-20 0.4730\n328.0 1.937E-20 0.4640\n329.0 1.857E-20 0.4550\n330.0 1.689E-20 0.4450\n331.0 1.128E-20 0.4360\n332.0 1.048E-20 0.4270\n333.0 9.660E-21 0.4170\n334.0 9.190E-21 0.4080\n335.0 7.370E-21 0.3990\n336.0 6.300E-21 0.3900\n337.0 5.890E-21 0.3800\n338.0 6.470E-21 0.3710\n339.0 5.850E-21 0.3620\n340.0 5.530E-21 0.3520\n341.0 5.630E-21 0.3430\n342.0 5.100E-21 0.3340\n343.0 4.990E-21 0.3240\n344.0 6.490E-21 0.3150\n345.0 6.240E-21 0.3060\n346.0 7.330E-21 0.2970\n347.0 6.310E-21 0.2870\n348.0 6.040E-21 0.2780\n349.0 4.150E-21 0.2690\n350.0 3.910E-21 0.2590\n351.0 3.950E-21 0.2500\n352.0 4.230E-21 0.2320\n353.0 4.150E-21 0.2150\n354.0 4.030E-21 0.2000\n355.0 4.220E-21 0.1860\n356.0 4.430E-21 0.1720\n357.0 4.310E-21 0.1600\n358.0 4.710E-21 0.1480\n359.0 5.030E-21 0.1380\n360.0 5.460E-21 0.1280\n361.0 6.270E-21 0.1190\n362.0 7.060E-21 0.1100\n363.0 6.390E-21 0.1020\n364.0 6.800E-21 0.0950\n365.0 6.650E-21 0.0880\n366.0 7.430E-21 0.0820\n367.0 8.600E-21 0.0760\n368.0 1.012E-20 0.0700\n369.0 1.063E-20 0.0650\n370.0 1.139E-20 0.0610\n371.0 1.185E-20 0.0560\n372.0 1.141E-20 0.0520\n373.0 1.212E-20 0.0490\n374.0 1.352E-20 0.0450\n375.0 1.332E-20 0.0420\n376.0 1.377E-20 0.0390\n377.0 1.467E-20 0.0360\n378.0 1.605E-20 0.0330\n379.0 1.534E-20 0.0310\n380.0 1.934E-20 0.0290\n381.0 2.455E-20 0.0270\n382.0 2.019E-20 0.0250\n383.0 2.069E-20 0.0230\n384.0 1.939E-20 0.0210\n385.0 1.893E-20 0.0200\n386.0 1.835E-20 0.0180\n387.0 2.287E-20 0.0170\n388.0 3.000E-20 0.0160\n389.0 3.206E-20 0.0150\n390.0 3.483E-20 0.0140\n391.0 3.922E-20 0.0130\n392.0 3.801E-20 0.0120\n393.0 2.852E-20 0.0110\n394.0 3.147E-20 0.0100\n395.0 3.855E-20 0.0090\n396.0 3.679E-20 0.0090\n397.0 3.361E-20 0.0080\n398.0 4.323E-20 0.0080\n399.0 4.345E-20 0.0070\n400.0 3.873E-20 0.0070\n401.0 4.455E-20 0.0060\n402.0 5.843E-20 0.0060\n403.0 7.159E-20 0.0050\n404.0 6.237E-20 0.0050\n405.0 4.491E-20 0.0040\n406.0 4.482E-20 0.0040\n407.0 4.066E-20 0.0040\n408.0 3.444E-20 0.0040\n409.0 4.008E-20 0.0030\n410.0 5.661E-20 0.0030\n411.0 7.221E-20 0.0030\n412.0 7.406E-20 0.0030\n413.0 1.075E-19 0.0020\n414.0 1.012E-19 0.0020\n415.0 1.019E-19 0.0020\n416.0 6.073E-20 0.0020\n417.0 6.829E-20 0.0020\n418.0 7.873E-20 0.0020\n419.0 9.134E-20 0.0020\n420.0 5.602E-20 0.0010\n421.0 7.188E-20 0.0010\n422.0 6.990E-20 0.0010\n423.0 1.305E-19 0.0010\n424.0 8.239E-20 0.0010\n425.0 1.045E-19 0.0010\n426.0 1.641E-19 0.0010\n427.0 1.610E-19 0.0010\n428.0 2.142E-19 0.0010\n429.0 6.499E-20 0.0010\n430.0 7.027E-20 0.0010\n431.0 6.518E-20 0.0010\n432.0 6.082E-20 0.0010\n433.0 5.657E-20 0.0010\n434.0 6.809E-20 0.0010\n435.0 7.660E-20 0.0000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/GLY-07R", "content": "GLY-07R \n! HCOCHO + HV = HCO. + HCO. \n! Absorption cross sections from Volkamer, R., P. Spietz, J. Burrows, and \n! U. Platt (2005): \"High-resolution absorption cross sections of glyoxal \n! in the UV-vis and IR spectral ranges,\" J. Photochem. Photobiol. A, 172 \n! 35-46. Quantum yields at wavelengths below 350 nm based on the data of \n! Zhu et al (1996) which are consistent with the data of Langford and \n! Moore (1984). Quantum yields at higher wavelengths assumed to decline \n! expodentially with wavelength at a rate that gives a photolysis rate \n! relative to NO2 consistent with the data of Klotz et al (2000). \n! \nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n289.0 3.800E-20 0.3250\n290.0 3.734E-20 0.3260\n291.0 3.643E-20 0.3270\n292.0 3.654E-20 0.3290\n293.0 3.681E-20 0.3300\n294.0 3.729E-20 0.3310\n295.0 3.809E-20 0.3330\n296.0 3.824E-20 0.3340\n297.0 3.922E-20 0.3350\n298.0 4.073E-20 0.3370\n299.0 4.123E-20 0.3380\n300.0 4.045E-20 0.3390\n301.0 3.905E-20 0.3410\n302.0 3.779E-20 0.3420\n303.0 3.567E-20 0.3430\n304.0 3.350E-20 0.3450\n305.0 3.242E-20 0.3460\n306.0 3.223E-20 0.3470\n307.0 3.200E-20 0.3490\n308.0 3.146E-20 0.3500\n309.0 3.123E-20 0.3590\n310.0 3.100E-20 0.3690\n311.0 3.222E-20 0.3780\n312.0 3.343E-20 0.3870\n313.0 3.390E-20 0.3970\n314.0 3.233E-20 0.4060\n315.0 2.805E-20 0.4150\n316.0 2.646E-20 0.4240\n317.0 2.460E-20 0.4340\n318.0 2.214E-20 0.4430\n319.0 1.927E-20 0.4520\n320.0 1.854E-20 0.4620\n321.0 1.885E-20 0.4710\n322.0 1.766E-20 0.4800\n323.0 1.723E-20 0.4900\n324.0 1.677E-20 0.4990\n325.0 1.603E-20 0.5080\n326.0 1.606E-20 0.5170\n327.0 1.695E-20 0.5270\n328.0 1.937E-20 0.5360\n329.0 1.857E-20 0.5450\n330.0 1.689E-20 0.5550\n331.0 1.128E-20 0.5640\n332.0 1.048E-20 0.5730\n333.0 9.660E-21 0.5830\n334.0 9.190E-21 0.5920\n335.0 7.370E-21 0.6010\n336.0 6.300E-21 0.6110\n337.0 5.890E-21 0.6200\n338.0 6.470E-21 0.6290\n339.0 5.850E-21 0.6380\n340.0 5.530E-21 0.6480\n341.0 5.630E-21 0.6570\n342.0 5.100E-21 0.6660\n343.0 4.990E-21 0.6760\n344.0 6.490E-21 0.6850\n345.0 6.240E-21 0.6940\n346.0 7.330E-21 0.7040\n347.0 6.310E-21 0.7130\n348.0 6.040E-21 0.7220\n349.0 4.150E-21 0.7310\n350.0 3.910E-21 0.7410\n351.0 3.950E-21 0.7500\n352.0 4.230E-21 0.7150\n353.0 4.150E-21 0.6810\n354.0 4.030E-21 0.6490\n355.0 4.220E-21 0.6190\n356.0 4.430E-21 0.5890\n357.0 4.310E-21 0.5620\n358.0 4.710E-21 0.5350\n359.0 5.030E-21 0.5100\n360.0 5.460E-21 0.4860\n361.0 6.270E-21 0.4630\n362.0 7.060E-21 0.4420\n363.0 6.390E-21 0.4210\n364.0 6.800E-21 0.4010\n365.0 6.650E-21 0.3820\n366.0 7.430E-21 0.3640\n367.0 8.600E-21 0.3470\n368.0 1.012E-20 0.3310\n369.0 1.063E-20 0.3150\n370.0 1.139E-20 0.3000\n371.0 1.185E-20 0.2860\n372.0 1.141E-20 0.2730\n373.0 1.212E-20 0.2600\n374.0 1.352E-20 0.2480\n375.0 1.332E-20 0.2360\n376.0 1.377E-20 0.2250\n377.0 1.467E-20 0.2140\n378.0 1.605E-20 0.2040\n379.0 1.534E-20 0.1950\n380.0 1.934E-20 0.1860\n381.0 2.455E-20 0.1770\n382.0 2.019E-20 0.1690\n383.0 2.069E-20 0.1610\n384.0 1.939E-20 0.1530\n385.0 1.893E-20 0.1460\n386.0 1.835E-20 0.1390\n387.0 2.287E-20 0.1320\n388.0 3.000E-20 0.1260\n389.0 3.206E-20 0.1200\n390.0 3.483E-20 0.1150\n391.0 3.922E-20 0.1090\n392.0 3.801E-20 0.1040\n393.0 2.852E-20 0.0990\n394.0 3.147E-20 0.0950\n395.0 3.855E-20 0.0900\n396.0 3.679E-20 0.0860\n397.0 3.361E-20 0.0820\n398.0 4.323E-20 0.0780\n399.0 4.345E-20 0.0740\n400.0 3.873E-20 0.0710\n401.0 4.455E-20 0.0670\n402.0 5.843E-20 0.0640\n403.0 7.159E-20 0.0610\n404.0 6.237E-20 0.0580\n405.0 4.491E-20 0.0560\n406.0 4.482E-20 0.0530\n407.0 4.066E-20 0.0510\n408.0 3.444E-20 0.0480\n409.0 4.008E-20 0.0460\n410.0 5.661E-20 0.0440\n411.0 7.221E-20 0.0420\n412.0 7.406E-20 0.0400\n413.0 1.075E-19 0.0380\n414.0 1.012E-19 0.0360\n415.0 1.019E-19 0.0340\n416.0 6.073E-20 0.0330\n417.0 6.829E-20 0.0310\n418.0 7.873E-20 0.0300\n419.0 9.134E-20 0.0280\n420.0 5.602E-20 0.0270\n421.0 7.188E-20 0.0260\n422.0 6.990E-20 0.0250\n423.0 1.305E-19 0.0230\n424.0 8.239E-20 0.0220\n425.0 1.045E-19 0.0210\n426.0 1.641E-19 0.0200\n427.0 1.610E-19 0.0190\n428.0 2.142E-19 0.0180\n429.0 6.499E-20 0.0180\n430.0 7.027E-20 0.0170\n431.0 6.518E-20 0.0160\n432.0 6.082E-20 0.0150\n433.0 5.657E-20 0.0140\n434.0 6.809E-20 0.0140\n435.0 7.660E-20 0.0130\n436.0 1.319E-19 0.0130\n437.0 9.185E-20 0.0120\n438.0 1.382E-19 0.0110\n439.0 1.214E-19 0.0110\n440.0 2.594E-19 0.0100\n441.0 1.312E-19 0.0100\n442.0 9.013E-20 0.0090\n443.0 1.112E-19 0.0090\n444.0 1.346E-19 0.0090\n445.0 1.511E-19 0.0080\n446.0 7.818E-20 0.0080\n447.0 3.730E-20 0.0070\n448.0 4.144E-20 0.0070\n449.0 5.527E-20 0.0070\n450.0 8.682E-20 0.0060\n451.0 1.382E-19 0.0060\n452.0 1.595E-19 0.0060\n453.0 3.037E-19 0.0060\n454.0 2.690E-19 0.0050\n455.0 5.199E-19 0.0050\n456.0 1.567E-19 0.0050\n457.0 2.661E-20 0.0050\n458.0 2.201E-20 0.0040\n459.0 9.020E-21 0.0040\n460.0 1.202E-20 0.0040\n461.0 8.830E-21 0.0040\n462.0 5.880E-21 0.0040\n463.0 3.220E-21 0.0000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/GLYD_IUPAC10", "content": "GLYD_IUPAC10\n! HOCH2CHO + hv ---> products\t\t\n! IUPAC (2002) based on Bacher et al (2001), J. Atm. Chem, 39, 171.\n! quantum yield = 0.75+/-0.25\t\t\n! lambda(nm) xcross(1.E+20*cm2) yield\t\nPoints (the mechanism evaluated with this format) \t\t\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n205.0 3.910E-19 0.750\n206.0 3.370E-19 0.750\n207.0 2.870E-19 0.750\n208.0 2.460E-19 0.750\n209.0 2.120E-19 0.750\n210.0 1.810E-19 0.750\n211.0 1.530E-19 0.750\n212.0 1.300E-19 0.750\n213.0 1.120E-19 0.750\n214.0 9.400E-20 0.750\n215.0 7.840E-20 0.750\n216.0 6.490E-20 0.750\n217.0 5.300E-20 0.750\n218.0 4.260E-20 0.750\n219.0 3.370E-20 0.750\n220.0 2.650E-20 0.750\n221.0 2.130E-20 0.750\n222.0 1.650E-20 0.750\n223.0 1.360E-20 0.750\n224.0 1.120E-20 0.750\n225.0 9.330E-21 0.750\n226.0 7.830E-21 0.750\n227.0 6.910E-21 0.750\n228.0 6.370E-21 0.750\n229.0 6.370E-21 0.750\n230.0 6.490E-21 0.750\n231.0 6.440E-21 0.750\n232.0 6.800E-21 0.750\n233.0 7.230E-21 0.750\n234.0 7.850E-21 0.750\n235.0 8.330E-21 0.750\n236.0 8.800E-21 0.750\n237.0 9.390E-21 0.750\n238.0 1.030E-20 0.750\n239.0 1.110E-20 0.750\n240.0 1.200E-20 0.750\n241.0 1.280E-20 0.750\n242.0 1.380E-20 0.750\n243.0 1.500E-20 0.750\n244.0 1.590E-20 0.750\n245.0 1.710E-20 0.750\n246.0 1.830E-20 0.750\n247.0 1.950E-20 0.750\n248.0 2.090E-20 0.750\n249.0 2.220E-20 0.750\n251.0 2.500E-20 0.750\n252.0 2.650E-20 0.750\n253.0 2.820E-20 0.750\n254.0 2.970E-20 0.750\n255.0 3.090E-20 0.750\n256.0 3.210E-20 0.750\n257.0 3.390E-20 0.750\n258.0 3.590E-20 0.750\n259.0 3.750E-20 0.750\n260.0 3.890E-20 0.750\n261.0 4.020E-20 0.750\n262.0 4.130E-20 0.750\n263.0 4.240E-20 0.750\n264.0 4.400E-20 0.750\n265.0 4.600E-20 0.750\n266.0 4.750E-20 0.750\n267.0 4.850E-20 0.750\n268.0 4.920E-20 0.750\n269.0 4.990E-20 0.750\n270.0 5.050E-20 0.750\n271.0 5.140E-20 0.750\n272.0 5.230E-20 0.750\n273.0 5.360E-20 0.750\n274.0 5.400E-20 0.750\n275.0 5.410E-20 0.750\n276.0 5.390E-20 0.750\n277.0 5.420E-20 0.750\n278.0 5.370E-20 0.750\n279.0 5.340E-20 0.750\n280.0 5.340E-20 0.750\n281.0 5.370E-20 0.750\n282.0 5.370E-20 0.750\n283.0 5.250E-20 0.750\n284.0 5.120E-20 0.750\n285.0 5.010E-20 0.750\n286.0 4.930E-20 0.750\n287.0 4.800E-20 0.750\n288.0 4.670E-20 0.750\n289.0 4.580E-20 0.750\n290.0 4.500E-20 0.750\n291.0 4.410E-20 0.750\n292.0 4.190E-20 0.750\n293.0 3.960E-20 0.750\n294.0 3.760E-20 0.750\n295.0 3.590E-20 0.750\n296.0 3.460E-20 0.750\n297.0 3.290E-20 0.750\n298.0 3.170E-20 0.750\n299.0 3.020E-20 0.750\n300.0 2.900E-20 0.750\n301.0 2.740E-20 0.750\n302.0 2.510E-20 0.750\n303.0 2.260E-20 0.750\n304.0 2.070E-20 0.750\n305.0 1.910E-20 0.750\n306.0 1.770E-20 0.750\n307.0 1.640E-20 0.750\n308.0 1.500E-20 0.750\n309.0 1.360E-20 0.750\n310.0 1.250E-20 0.750\n311.0 1.150E-20 0.750\n312.0 1.030E-20 0.750\n313.0 8.840E-21 0.750\n314.0 7.710E-21 0.750\n315.0 6.890E-21 0.750\n316.0 5.970E-21 0.750\n317.0 5.160E-21 0.750\n318.0 4.550E-21 0.750\n319.0 3.960E-21 0.750\n320.0 3.290E-21 0.750\n321.0 2.850E-21 0.750\n322.0 2.490E-21 0.750\n323.0 2.130E-21 0.750\n324.0 1.850E-21 0.750\n325.0 1.470E-21 0.750\n326.0 1.280E-21 0.750\n327.0 1.050E-21 0.750\n328.0 8.700E-22 0.750\n329.0 8.400E-22 0.750\n330.0 6.800E-22 0.750\n331.0 5.800E-22 0.750\n332.0 4.300E-22 0.750\n333.0 4.000E-22 0.750\n334.0 4.000E-22 0.750\n335.0 3.900E-22 0.750\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/GLYF_RACM2", "content": "GLYF_RACM2\n! GLY + HV = HCHO + CO \n! RACM2 Photolysis data \n! Supplied by Dr. Wendy Goliff\n! Reformatted by Dr. Golam Sarwar to make it compatible with CMAQ\nPoints \n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n186.1 0.000E+00 0.000\n187.8 0.000E+00 0.000\n189.6 0.000E+00 0.000\n191.4 0.000E+00 0.000\n193.3 0.000E+00 0.000\n195.2 0.000E+00 0.000\n197.1 0.000E+00 0.000\n199.0 0.000E+00 0.000\n201.0 0.000E+00 0.000\n203.1 0.000E+00 0.000\n205.2 0.000E+00 0.000\n207.3 0.000E+00 0.000\n209.4 0.000E+00 0.000\n211.7 0.000E+00 0.000\n213.9 0.000E+00 0.000\n216.2 0.000E+00 0.000\n218.6 0.000E+00 0.000\n221.0 0.000E+00 0.000\n223.5 0.000E+00 0.000\n226.0 0.000E+00 0.203\n228.6 0.000E+00 0.213\n231.3 0.000E+00 0.226\n234.0 0.000E+00 0.240\n236.7 0.000E+00 0.253\n239.6 0.000E+00 0.269\n242.5 0.000E+00 0.280\n245.4 0.000E+00 0.293\n248.5 0.000E+00 0.307\n251.6 0.150E-19 0.320\n254.8 0.166E-19 0.334\n258.2 0.183E-19 0.346\n261.5 0.199E-19 0.357\n265.0 0.226E-19 0.369\n268.5 0.242E-19 0.382\n272.2 0.274E-19 0.394\n275.9 0.306E-19 0.407\n279.8 0.312E-19 0.420\n283.7 0.353E-19 0.427\n287.8 0.381E-19 0.436\n292.0 0.365E-19 0.444\n296.3 0.385E-19 0.453\n300.5 0.397E-19 0.457\n303.0 0.357E-19 0.459\n304.0 0.335E-19 0.459\n305.0 0.324E-19 0.460\n306.0 0.322E-19 0.460\n307.0 0.320E-19 0.459\n308.0 0.315E-19 0.459\n309.0 0.312E-19 0.458\n310.0 0.310E-19 0.458\n311.0 0.322E-19 0.457\n312.0 0.334E-19 0.456\n313.0 0.339E-19 0.454\n314.0 0.323E-19 0.453\n316.0 0.265E-19 0.448\n320.0 0.185E-19 0.433\n325.0 0.160E-19 0.408\n330.0 0.169E-19 0.379\n335.0 0.737E-20 0.337\n340.0 0.553E-20 0.279\n345.0 0.624E-20 0.204\n350.0 0.391E-20 0.150\n355.0 0.422E-20 0.108\n360.0 0.546E-20 0.072\n365.0 0.665E-20 0.040\n370.0 0.114E-19 0.022\n375.0 0.133E-19 0.014\n380.0 0.193E-19 0.011\n385.0 0.189E-19 0.008\n390.0 0.348E-19 0.007\n395.0 0.386E-19 0.005\n400.0 0.387E-19 0.004\n405.0 0.449E-19 0.003\n410.0 0.566E-19 0.002\n415.0 0.102E-18 0.001\n420.0 0.560E-19 0.000\n425.0 0.104E-18 0.000\n430.0 0.703E-19 0.000\n435.0 0.766E-19 0.000\n440.0 0.259E-18 0.000\n445.0 0.151E-18 0.000\n450.0 0.868E-19 0.000\n455.0 0.520E-18 0.000\n460.0 0.120E-19 0.000\n465.0 0.330E-20 0.000\n470.0 0.760E-21 0.000\n475.0 0.159E-20 0.000\n480.0 0.740E-21 0.000\n485.0 0.500E-21 0.000\n490.0 0.450E-21 0.000\n495.0 0.420E-21 0.000\n500.0 0.330E-21 0.000\n505.0 0.350E-21 0.000\n510.0 0.230E-21 0.000\n515.0 0.530E-21 0.000\n520.0 0.100E-20 0.000\n525.0 0.400E-22 0.000\n530.0 0.000E+00 0.000\n535.0 0.000E+00 0.000\n540.0 0.000E+00 0.000\n545.0 0.000E+00 0.000\n550.0 0.000E+00 0.000\n555.0 0.000E+00 0.000\n560.0 0.000E+00 0.000\n565.0 0.000E+00 0.000\n570.0 0.000E+00 0.000\n575.0 0.000E+00 0.000\n580.0 0.000E+00 0.000\n585.0 0.000E+00 0.000\n590.0 0.000E+00 0.000\n595.0 0.000E+00 0.000\n600.0 0.000E+00 0.000\n605.0 0.000E+00 0.000\n610.0 0.000E+00 0.000\n615.0 0.000E+00 0.000\n620.0 0.000E+00 0.000\n625.0 0.000E+00 0.000\n630.0 0.000E+00 0.000\n635.0 0.000E+00 0.000\n640.0 0.000E+00 0.000\n644.8 0.000E+00 0.000\n651.0 0.000E+00 0.000\n660.0 0.000E+00 0.000\n670.0 0.000E+00 0.000\n680.0 0.000E+00 0.000\n690.0 0.000E+00 0.000\n700.0 0.000E+00 0.000\n710.0 0.000E+00 0.000\n720.0 0.000E+00 0.000\n730.0 0.000E+00 0.000" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/GLYH2_RACM2", "content": "GLYH2_RACM2\n! GLY + HV = H2 + 2*CO \n! RACM2 Photolysis data \n! Supplied by Dr. Wendy Goliff\n! Reformatted by Dr. Golam Sarwar to make it compatible with CMAQ\nPoints \n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n186.1 0.000E+00 0.000\n187.8 0.000E+00 0.000\n189.6 0.000E+00 0.000\n191.4 0.000E+00 0.000\n193.3 0.000E+00 0.000\n195.2 0.000E+00 0.000\n197.1 0.000E+00 0.000\n199.0 0.000E+00 0.000\n201.0 0.000E+00 0.000\n203.1 0.000E+00 0.000\n205.2 0.000E+00 0.000\n207.3 0.000E+00 0.000\n209.4 0.000E+00 0.000\n211.7 0.000E+00 0.000\n213.9 0.000E+00 0.000\n216.2 0.000E+00 0.000\n218.6 0.000E+00 0.000\n221.0 0.000E+00 0.000\n223.5 0.000E+00 0.000\n226.0 0.000E+00 0.555\n228.6 0.000E+00 0.542\n231.3 0.000E+00 0.527\n234.0 0.000E+00 0.510\n236.7 0.000E+00 0.494\n239.6 0.000E+00 0.475\n242.5 0.000E+00 0.462\n245.4 0.000E+00 0.446\n248.5 0.000E+00 0.428\n251.6 0.150E-19 0.412\n254.8 0.166E-19 0.395\n258.2 0.183E-19 0.379\n261.5 0.199E-19 0.363\n265.0 0.226E-19 0.345\n268.5 0.242E-19 0.328\n272.2 0.274E-19 0.309\n275.9 0.306E-19 0.291\n279.8 0.312E-19 0.270\n283.7 0.353E-19 0.255\n287.8 0.381E-19 0.239\n292.0 0.365E-19 0.220\n296.3 0.385E-19 0.201\n300.5 0.397E-19 0.184\n303.0 0.357E-19 0.174\n304.0 0.335E-19 0.170\n305.0 0.324E-19 0.166\n306.0 0.322E-19 0.162\n307.0 0.320E-19 0.158\n308.0 0.315E-19 0.154\n309.0 0.312E-19 0.150\n310.0 0.310E-19 0.146\n311.0 0.322E-19 0.142\n312.0 0.334E-19 0.138\n313.0 0.339E-19 0.133\n314.0 0.323E-19 0.129\n316.0 0.265E-19 0.122\n320.0 0.185E-19 0.110\n325.0 0.160E-19 0.095\n330.0 0.169E-19 0.080\n335.0 0.737E-20 0.065\n340.0 0.553E-20 0.051\n345.0 0.624E-20 0.036\n350.0 0.391E-20 0.021\n355.0 0.422E-20 0.008\n360.0 0.546E-20 0.000\n365.0 0.665E-20 0.000\n370.0 0.114E-19 0.000\n375.0 0.133E-19 0.000\n380.0 0.193E-19 0.000\n385.0 0.189E-19 0.000\n390.0 0.348E-19 0.000\n395.0 0.386E-19 0.000\n400.0 0.387E-19 0.000\n405.0 0.449E-19 0.000\n410.0 0.566E-19 0.000\n415.0 0.102E-18 0.000\n420.0 0.560E-19 0.000\n425.0 0.104E-18 0.000\n430.0 0.703E-19 0.000\n435.0 0.766E-19 0.000\n440.0 0.259E-18 0.000\n445.0 0.151E-18 0.000\n450.0 0.868E-19 0.000\n455.0 0.520E-18 0.000\n460.0 0.120E-19 0.000\n465.0 0.330E-20 0.000\n470.0 0.760E-21 0.000\n475.0 0.159E-20 0.000\n480.0 0.740E-21 0.000\n485.0 0.500E-21 0.000\n490.0 0.450E-21 0.000\n495.0 0.420E-21 0.000\n500.0 0.330E-21 0.000\n505.0 0.350E-21 0.000\n510.0 0.230E-21 0.000\n515.0 0.530E-21 0.000\n520.0 0.100E-20 0.000\n525.0 0.400E-22 0.000\n530.0 0.000E+00 0.000\n535.0 0.000E+00 0.000\n540.0 0.000E+00 0.000\n545.0 0.000E+00 0.000\n550.0 0.000E+00 0.000\n555.0 0.000E+00 0.000\n560.0 0.000E+00 0.000\n565.0 0.000E+00 0.000\n570.0 0.000E+00 0.000\n575.0 0.000E+00 0.000\n580.0 0.000E+00 0.000\n585.0 0.000E+00 0.000\n590.0 0.000E+00 0.000\n595.0 0.000E+00 0.000\n600.0 0.000E+00 0.000\n605.0 0.000E+00 0.000\n610.0 0.000E+00 0.000\n615.0 0.000E+00 0.000\n620.0 0.000E+00 0.000\n625.0 0.000E+00 0.000\n630.0 0.000E+00 0.000\n635.0 0.000E+00 0.000\n640.0 0.000E+00 0.000\n644.8 0.000E+00 0.000\n651.0 0.000E+00 0.000\n660.0 0.000E+00 0.000\n670.0 0.000E+00 0.000\n680.0 0.000E+00 0.000\n690.0 0.000E+00 0.000\n700.0 0.000E+00 0.000\n710.0 0.000E+00 0.000\n720.0 0.000E+00 0.000\n730.0 0.000E+00 0.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/GLYHX_RACM2", "content": "GLYHX_RACM2\n! GLY + HV = 2*HO2 + 2*CO\n! RACM2 Photolysis data \n! Supplied by Dr. Wendy Goliff\n! Reformatted by Dr. Golam Sarwar to make it compatible with CMAQ\nPoints \n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n186.1 0.000E+00 0.000\n187.8 0.000E+00 0.000\n189.6 0.000E+00 0.000\n191.4 0.000E+00 0.000\n193.3 0.000E+00 0.000\n195.2 0.000E+00 0.000\n197.1 0.000E+00 0.000\n199.0 0.000E+00 0.000\n201.0 0.000E+00 0.000\n203.1 0.000E+00 0.000\n205.2 0.000E+00 0.000\n207.3 0.000E+00 0.000\n209.4 0.000E+00 0.000\n211.7 0.000E+00 0.000\n213.9 0.000E+00 0.000\n216.2 0.000E+00 0.000\n218.6 0.000E+00 0.000\n221.0 0.000E+00 0.000\n223.5 0.000E+00 0.000\n226.0 0.000E+00 0.242\n228.6 0.000E+00 0.245\n231.3 0.000E+00 0.247\n234.0 0.000E+00 0.250\n236.7 0.000E+00 0.253\n239.6 0.000E+00 0.256\n242.5 0.000E+00 0.259\n245.4 0.000E+00 0.261\n248.5 0.000E+00 0.265\n251.6 0.150E-19 0.268\n254.8 0.166E-19 0.271\n258.2 0.183E-19 0.275\n261.5 0.199E-19 0.280\n265.0 0.226E-19 0.286\n268.5 0.242E-19 0.291\n272.2 0.274E-19 0.297\n275.9 0.306E-19 0.303\n279.8 0.312E-19 0.310\n283.7 0.353E-19 0.317\n287.8 0.381E-19 0.326\n292.0 0.365E-19 0.335\n296.3 0.385E-19 0.347\n300.5 0.397E-19 0.359\n303.0 0.357E-19 0.367\n304.0 0.335E-19 0.371\n305.0 0.324E-19 0.374\n306.0 0.322E-19 0.378\n307.0 0.320E-19 0.383\n308.0 0.315E-19 0.387\n309.0 0.312E-19 0.392\n310.0 0.310E-19 0.396\n311.0 0.322E-19 0.401\n312.0 0.334E-19 0.407\n313.0 0.339E-19 0.412\n314.0 0.323E-19 0.418\n316.0 0.265E-19 0.430\n320.0 0.185E-19 0.457\n325.0 0.160E-19 0.497\n330.0 0.169E-19 0.541\n335.0 0.737E-20 0.593\n340.0 0.553E-20 0.648\n345.0 0.624E-20 0.616\n350.0 0.391E-20 0.520\n355.0 0.422E-20 0.424\n360.0 0.546E-20 0.332\n365.0 0.665E-20 0.253\n370.0 0.114E-19 0.191\n375.0 0.133E-19 0.142\n380.0 0.193E-19 0.104\n385.0 0.189E-19 0.077\n390.0 0.348E-19 0.057\n395.0 0.386E-19 0.043\n400.0 0.387E-19 0.033\n405.0 0.449E-19 0.026\n410.0 0.566E-19 0.020\n415.0 0.102E-18 0.016\n420.0 0.560E-19 0.013\n425.0 0.104E-18 0.010\n430.0 0.703E-19 0.008\n435.0 0.766E-19 0.006\n440.0 0.259E-18 0.003\n445.0 0.151E-18 0.001\n450.0 0.868E-19 0.000\n455.0 0.520E-18 0.000\n460.0 0.120E-19 0.000\n465.0 0.330E-20 0.000\n470.0 0.760E-21 0.000\n475.0 0.159E-20 0.000\n480.0 0.740E-21 0.000\n485.0 0.500E-21 0.000\n490.0 0.450E-21 0.000\n495.0 0.420E-21 0.000\n500.0 0.330E-21 0.000\n505.0 0.350E-21 0.000\n510.0 0.230E-21 0.000\n515.0 0.530E-21 0.000\n520.0 0.100E-20 0.000\n525.0 0.400E-22 0.000\n530.0 0.000E+00 0.000\n535.0 0.000E+00 0.000\n540.0 0.000E+00 0.000\n545.0 0.000E+00 0.000\n550.0 0.000E+00 0.000\n555.0 0.000E+00 0.000\n560.0 0.000E+00 0.000\n565.0 0.000E+00 0.000\n570.0 0.000E+00 0.000\n575.0 0.000E+00 0.000\n580.0 0.000E+00 0.000\n585.0 0.000E+00 0.000\n590.0 0.000E+00 0.000\n595.0 0.000E+00 0.000\n600.0 0.000E+00 0.000\n605.0 0.000E+00 0.000\n610.0 0.000E+00 0.000\n615.0 0.000E+00 0.000\n620.0 0.000E+00 0.000\n625.0 0.000E+00 0.000\n630.0 0.000E+00 0.000\n635.0 0.000E+00 0.000\n640.0 0.000E+00 0.000\n644.8 0.000E+00 0.000\n651.0 0.000E+00 0.000\n660.0 0.000E+00 0.000\n670.0 0.000E+00 0.000\n680.0 0.000E+00 0.000\n690.0 0.000E+00 0.000\n700.0 0.000E+00 0.000\n710.0 0.000E+00 0.000\n720.0 0.000E+00 0.000\n730.0 0.000E+00 0.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/GLYOX_M_CRI", "content": "GLYOX_R_CRI\n!Glyoxal (CHOCHO) channel quantum yields (1 bar, 298 K) \n!CHOCHO--->HCHO+CO\n!\n!Cross-Section combines IUPAC (2013) recommendation (250-473 nm) and JPL 2011 (474-526 nm). \n! The latter comes from the URL:\n! http://satellite.mpic.de/spectral_atlas/cross_sections/Organics%20%28carbonyls%29/Bicarbonyls/CHOCHO.spc\n! accessed Feb. 12, 2016\n! Note that the JPL values are the same from 250 to 473 nm as IUPAC values\n!\n!QY based on recommendation \n! http://iupac.pole-ether.fr/htdocs/datasheets/pdf/P4_(CHO)2+hv.pdf dated 2013 but \n! the IUPAC data sheet appears to incorrectly use the formula for\n! QY of total and individual channels derived in \n! Salter, R. J., Blitz, M. A., Heard, D. E., Pilling, M. J., Rickard, A. R. and \n! Seakins, P. W., Phys. Chem. Chem. Phys., 15, 6516, 2013.\n! (1) In IUPAC datasheet, the right side of the phi total equation should use the \n! reciprocal of pressure correction based on EQ6 in Salter et al. (2013)\n! (2) The IUPAC datasheet may have reversed B1 and B2 values in Table 3 in Salter et al.\n! (2013) for the individual\n! \n!Channel Possible: \n!phi1 = H2 + 2CO \n!phi2 = HCO + HCO \n!phi3 = HCHO + CO \n!phi4 = HCO+CO+H \n!phi5 = 2H+2CO \n!phi6 = TOTAL \n! Note that phi2, phi4 and phi5 are summed in the 2CO+2HO2 column because the species are\n! expected result from these channels\n! \n!wvl XCROSS HCHO+CO H2+2CO 2HCO HCO+CO+H 2H+2CO Total 2CO+2HO2\nPoints (the mechanism evaluated with this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n250.0 1.73E-20 0.3549940 0.0000000 0.0034229 0.3888348 0.2526732 0.9999250 0.6449310 \n251.0 1.52E-20 0.3569473 0.0000000 0.0036735 0.3887472 0.2505473 0.9999154 0.6429681 \n252.0 1.48E-20 0.3590325 0.0000000 0.0039424 0.3886531 0.2482767 0.9999046 0.6408721 \n253.0 1.55E-20 0.3612552 0.0000000 0.0042309 0.3885518 0.2458548 0.9998926 0.6386375 \n254.0 1.60E-20 0.3636207 0.0000000 0.0045404 0.3884428 0.2432753 0.9998792 0.6362586 \n255.0 1.67E-20 0.3661339 0.0000000 0.0048724 0.3883257 0.2405322 0.9998643 0.6337303 \n256.0 1.62E-20 0.3687995 0.0000000 0.0052285 0.3881997 0.2376199 0.9998476 0.6310481 \n257.0 1.81E-20 0.3716211 0.0000000 0.0056106 0.3880642 0.2345331 0.9998290 0.6282079 \n258.0 1.82E-20 0.3746019 0.0000000 0.0060203 0.3879185 0.2312676 0.9998084 0.6252065 \n259.0 1.85E-20 0.3777441 0.0000000 0.0064598 0.3877619 0.2278196 0.9997855 0.6220413 \n260.0 1.83E-20 0.3810490 0.0000000 0.0069311 0.3875934 0.2241865 0.9997600 0.6187110 \n261.0 1.96E-20 0.3845164 0.0000000 0.0074365 0.3874123 0.2203664 0.9997317 0.6152152 \n262.0 2.03E-20 0.3881453 0.0000000 0.0079785 0.3872176 0.2163590 0.9997003 0.6115550 \n263.0 2.14E-20 0.3919329 0.0000000 0.0085596 0.3870082 0.2121650 0.9996656 0.6077327 \n264.0 2.18E-20 0.3958748 0.0000000 0.0091825 0.3867831 0.2077866 0.9996271 0.6037523 \n265.0 2.26E-20 0.3999653 0.0000000 0.0098504 0.3865412 0.2032277 0.9995846 0.5996193 \n266.0 2.33E-20 0.4041966 0.0000000 0.0105662 0.3862811 0.1984937 0.9995376 0.5953410 \n267.0 2.37E-20 0.4085591 0.0000000 0.0113334 0.3860016 0.1935916 0.9994857 0.5909266 \n268.0 2.36E-20 0.4130414 0.0000000 0.0121555 0.3857013 0.1885302 0.9994284 0.5863870 \n269.0 2.48E-20 0.4176302 0.0000000 0.0130364 0.3853785 0.1833200 0.9993652 0.5817350 \n270.0 2.51E-20 0.4223104 0.0000000 0.0139802 0.3850318 0.1779733 0.9992956 0.5769852 \n271.0 2.61E-20 0.4270648 0.0000000 0.0149912 0.3846593 0.1725038 0.9992190 0.5721542 \n272.0 2.72E-20 0.4318748 0.0000000 0.0160739 0.3842591 0.1669269 0.9991347 0.5672599 \n273.0 2.81E-20 0.4367200 0.0000000 0.0172333 0.3838294 0.1612593 0.9990421 0.5623220 \n274.0 2.92E-20 0.4415788 0.0000000 0.0184746 0.3833680 0.1555189 0.9989403 0.5573615 \n275.0 3.00E-20 0.4464282 0.0000000 0.0198033 0.3828726 0.1497245 0.9988286 0.5524004 \n276.0 3.06E-20 0.4512442 0.0000000 0.0212252 0.3823409 0.1438957 0.9987061 0.5474619 \n277.0 3.09E-20 0.4560022 0.0000000 0.0227467 0.3817702 0.1380526 0.9985717 0.5425695 \n278.0 3.08E-20 0.4606771 0.0000000 0.0243741 0.3811580 0.1322155 0.9984246 0.5377475 \n279.0 3.09E-20 0.4652436 0.0000000 0.0261144 0.3805012 0.1264044 0.9982636 0.5330200 \n280.0 3.14E-20 0.4696763 0.0000000 0.0279750 0.3797969 0.1206392 0.9980875 0.5284112 \n281.0 3.22E-20 0.4739504 0.0000000 0.0299636 0.3790418 0.1149392 0.9978950 0.5239446 \n282.0 3.32E-20 0.4780414 0.0000000 0.0320883 0.3782325 0.1093226 0.9976848 0.5196433 \n283.0 3.46E-20 0.4819258 0.0000000 0.0343575 0.3773653 0.1038066 0.9974553 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0.0000060 0.0000000 0.0065980 0.0000044 0.0000000 0.0066084 0.0066024 \n422.0 6.99E-20 0.0000044 0.0000000 0.0052308 0.0000032 0.0000000 0.0052385 0.0052341 \n423.0 1.30E-19 0.0000033 0.0000000 0.0041410 0.0000024 0.0000000 0.0041467 0.0041434 \n424.0 8.24E-20 0.0000024 0.0000000 0.0032769 0.0000018 0.0000000 0.0032811 0.0032787 \n425.0 1.04E-19 0.0000018 0.0000000 0.0025946 0.0000013 0.0000000 0.0025977 0.0025959 \n426.0 1.64E-19 0.0000013 0.0000000 0.0020575 0.0000010 0.0000000 0.0020598 0.0020584 \n427.0 1.61E-19 0.0000010 0.0000000 0.0016355 0.0000007 0.0000000 0.0016372 0.0016362 \n428.0 2.14E-19 0.0000007 0.0000000 0.0013044 0.0000005 0.0000000 0.0013056 0.0013049 \n429.0 6.50E-20 0.0000005 0.0000000 0.0010447 0.0000004 0.0000000 0.0010456 0.0010451 \n430.0 7.03E-20 0.0000004 0.0000000 0.0008411 0.0000003 0.0000000 0.0008418 0.0008414 \n431.0 6.52E-20 0.0000003 0.0000000 0.0006813 0.0000002 0.0000000 0.0006818 0.0006815 \n432.0 6.08E-20 0.0000002 0.0000000 0.0005557 0.0000002 0.0000000 0.0005561 0.0005559 \n433.0 5.66E-20 0.0000002 0.0000000 0.0004569 0.0000001 0.0000000 0.0004572 0.0004570 \n434.0 6.81E-20 0.0000001 0.0000000 0.0003790 0.0000001 0.0000000 0.0003792 0.0003791 \n435.0 7.66E-20 0.0000001 0.0000000 0.0003174 0.0000001 0.0000000 0.0003175 0.0003174 \n436.0 1.32E-19 0.0000001 0.0000000 0.0002685 0.0000001 0.0000000 0.0002686 0.0002685 \n437.0 9.19E-20 0.0000001 0.0000000 0.0002295 0.0000000 0.0000000 0.0002296 0.0002295 \n438.0 1.38E-19 0.0000001 0.0000000 0.0001983 0.0000000 0.0000000 0.0001984 0.0001984 \n439.0 1.21E-19 0.0000000 0.0000000 0.0001733 0.0000000 0.0000000 0.0001733 0.0001733 \n440.0 2.59E-19 0.0000000 0.0000000 0.0001530 0.0000000 0.0000000 0.0001531 0.0001530 \n441.0 1.31E-19 0.0000000 0.0000000 0.0001365 0.0000000 0.0000000 0.0001365 0.0001365 \n442.0 9.01E-20 0.0000000 0.0000000 0.0001230 0.0000000 0.0000000 0.0001230 0.0001230 \n443.0 1.11E-19 0.0000000 0.0000000 0.0001118 0.0000000 0.0000000 0.0001118 0.0001118 \n444.0 1.35E-19 0.0000000 0.0000000 0.0001024 0.0000000 0.0000000 0.0001025 0.0001024 \n445.0 1.51E-19 0.0000000 0.0000000 0.0000946 0.0000000 0.0000000 0.0000946 0.0000946 \n446.0 7.82E-20 0.0000000 0.0000000 0.0000879 0.0000000 0.0000000 0.0000879 0.0000879 \n447.0 3.73E-20 0.0000000 0.0000000 0.0000822 0.0000000 0.0000000 0.0000822 0.0000822 \n448.0 4.14E-20 0.0000000 0.0000000 0.0000772 0.0000000 0.0000000 0.0000772 0.0000772 \n449.0 5.53E-20 0.0000000 0.0000000 0.0000728 0.0000000 0.0000000 0.0000729 0.0000728 \n450.0 8.68E-20 0.0000000 0.0000000 0.0000690 0.0000000 0.0000000 0.0000690 0.0000690 \n451.0 1.38E-19 0.0000000 0.0000000 0.0000656 0.0000000 0.0000000 0.0000656 0.0000656 \n452.0 1.59E-19 0.0000000 0.0000000 0.0000625 0.0000000 0.0000000 0.0000625 0.0000625 \n453.0 3.04E-19 0.0000000 0.0000000 0.0000596 0.0000000 0.0000000 0.0000597 0.0000596 \n454.0 2.69E-19 0.0000000 0.0000000 0.0000571 0.0000000 0.0000000 0.0000571 0.0000571 \n455.0 5.20E-19 0.0000000 0.0000000 0.0000547 0.0000000 0.0000000 0.0000547 0.0000547 \n456.0 1.57E-19 0.0000000 0.0000000 0.0000525 0.0000000 0.0000000 0.0000525 0.0000525 \n457.0 2.66E-20 0.0000000 0.0000000 0.0000504 0.0000000 0.0000000 0.0000504 0.0000504 \n458.0 2.20E-20 0.0000000 0.0000000 0.0000485 0.0000000 0.0000000 0.0000485 0.0000485 \n459.0 9.02E-21 0.0000000 0.0000000 0.0000467 0.0000000 0.0000000 0.0000467 0.0000467 \n460.0 1.20E-20 0.0000000 0.0000000 0.0000450 0.0000000 0.0000000 0.0000450 0.0000450 \n461.0 8.83E-21 0.0000000 0.0000000 0.0000434 0.0000000 0.0000000 0.0000434 0.0000434 \n462.0 5.88E-21 0.0000000 0.0000000 0.0000418 0.0000000 0.0000000 0.0000418 0.0000418 \n463.0 3.22E-21 0.0000000 0.0000000 0.0000404 0.0000000 0.0000000 0.0000404 0.0000404 \n464.0 3.39E-21 0.0000000 0.0000000 0.0000390 0.0000000 0.0000000 0.0000390 0.0000390 \n465.0 3.30E-21 0.0000000 0.0000000 0.0000376 0.0000000 0.0000000 0.0000377 0.0000376 \n466.0 4.16E-21 0.0000000 0.0000000 0.0000364 0.0000000 0.0000000 0.0000364 0.0000364 \n467.0 5.22E-21 0.0000000 0.0000000 0.0000352 0.0000000 0.0000000 0.0000352 0.0000352 \n468.0 1.49E-21 0.0000000 0.0000000 0.0000340 0.0000000 0.0000000 0.0000340 0.0000340 \n469.0 9.10E-22 0.0000000 0.0000000 0.0000329 0.0000000 0.0000000 0.0000329 0.0000329 \n470.0 7.60E-22 0.0000000 0.0000000 0.0000318 0.0000000 0.0000000 0.0000318 0.0000318 \n471.0 8.60E-22 0.0000000 0.0000000 0.0000307 0.0000000 0.0000000 0.0000307 0.0000307 \n472.0 9.20E-22 0.0000000 0.0000000 0.0000297 0.0000000 0.0000000 0.0000297 0.0000297 \n473.0 1.10E-21 0.0000000 0.0000000 0.0000288 0.0000000 0.0000000 0.0000288 0.0000288 \n474.0 1.08E-21 0.0000000 0.0000000 0.0000279 0.0000000 0.0000000 0.0000279 0.0000279\n475.0 1.59E-21 0.0000000 0.0000000 0.0000270 0.0000000 0.0000000 0.0000270 0.0000270\n476.0 1.55E-21 0.0000000 0.0000000 0.0000261 0.0000000 0.0000000 0.0000261 0.0000261\n477.0 1.81E-21 0.0000000 0.0000000 0.0000253 0.0000000 0.0000000 0.0000253 0.0000253\n478.0 2.55E-21 0.0000000 0.0000000 0.0000245 0.0000000 0.0000000 0.0000245 0.0000245\n479.0 1.42E-21 0.0000000 0.0000000 0.0000237 0.0000000 0.0000000 0.0000237 0.0000237\n480.0 7.40E-22 0.0000000 0.0000000 0.0000230 0.0000000 0.0000000 0.0000230 0.0000230\n481.0 7.00E-22 0.0000000 0.0000000 0.0000223 0.0000000 0.0000000 0.0000223 0.0000223\n482.0 6.50E-22 0.0000000 0.0000000 0.0000216 0.0000000 0.0000000 0.0000216 0.0000216\n483.0 5.30E-22 0.0000000 0.0000000 0.0000209 0.0000000 0.0000000 0.0000209 0.0000209\n484.0 7.10E-22 0.0000000 0.0000000 0.0000203 0.0000000 0.0000000 0.0000203 0.0000203\n485.0 5.00E-22 0.0000000 0.0000000 0.0000197 0.0000000 0.0000000 0.0000197 0.0000197\n486.0 4.10E-22 0.0000000 0.0000000 0.0000191 0.0000000 0.0000000 0.0000191 0.0000191\n487.0 5.60E-22 0.0000000 0.0000000 0.0000185 0.0000000 0.0000000 0.0000185 0.0000185\n488.0 7.00E-22 0.0000000 0.0000000 0.0000179 0.0000000 0.0000000 0.0000179 0.0000179\n489.0 4.20E-22 0.0000000 0.0000000 0.0000174 0.0000000 0.0000000 0.0000174 0.0000174\n490.0 4.50E-22 0.0000000 0.0000000 0.0000169 0.0000000 0.0000000 0.0000169 0.0000169\n491.0 4.10E-22 0.0000000 0.0000000 0.0000164 0.0000000 0.0000000 0.0000164 0.0000164\n492.0 3.90E-22 0.0000000 0.0000000 0.0000159 0.0000000 0.0000000 0.0000159 0.0000159\n493.0 4.00E-22 0.0000000 0.0000000 0.0000154 0.0000000 0.0000000 0.0000154 0.0000154\n494.0 4.10E-22 0.0000000 0.0000000 0.0000150 0.0000000 0.0000000 0.0000150 0.0000150\n495.0 4.20E-22 0.0000000 0.0000000 0.0000145 0.0000000 0.0000000 0.0000145 0.0000145\n496.0 4.50E-22 0.0000000 0.0000000 0.0000141 0.0000000 0.0000000 0.0000141 0.0000141\n497.0 3.30E-22 0.0000000 0.0000000 0.0000137 0.0000000 0.0000000 0.0000137 0.0000137\n498.0 3.50E-22 0.0000000 0.0000000 0.0000133 0.0000000 0.0000000 0.0000133 0.0000133\n499.0 3.20E-22 0.0000000 0.0000000 0.0000129 0.0000000 0.0000000 0.0000129 0.0000129\n500.0 3.30E-22 0.0000000 0.0000000 0.0000125 0.0000000 0.0000000 0.0000125 0.0000125\n501.0 3.80E-22 0.0000000 0.0000000 0.0000122 0.0000000 0.0000000 0.0000122 0.0000122\n502.0 3.10E-22 0.0000000 0.0000000 0.0000118 0.0000000 0.0000000 0.0000118 0.0000118\n503.0 4.20E-22 0.0000000 0.0000000 0.0000115 0.0000000 0.0000000 0.0000115 0.0000115\n504.0 3.40E-22 0.0000000 0.0000000 0.0000112 0.0000000 0.0000000 0.0000112 0.0000112\n505.0 3.50E-22 0.0000000 0.0000000 0.0000109 0.0000000 0.0000000 0.0000109 0.0000109\n506.0 4.60E-22 0.0000000 0.0000000 0.0000106 0.0000000 0.0000000 0.0000106 0.0000106\n507.0 4.20E-22 0.0000000 0.0000000 0.0000103 0.0000000 0.0000000 0.0000103 0.0000103\n508.0 3.70E-22 0.0000000 0.0000000 0.0000100 0.0000000 0.0000000 0.0000100 0.0000100\n509.0 3.00E-22 0.0000000 0.0000000 0.0000097 0.0000000 0.0000000 0.0000097 0.0000097\n510.0 2.30E-22 0.0000000 0.0000000 0.0000094 0.0000000 0.0000000 0.0000094 0.0000094\n511.0 2.30E-22 0.0000000 0.0000000 0.0000092 0.0000000 0.0000000 0.0000092 0.0000092\n512.0 3.00E-22 0.0000000 0.0000000 0.0000089 0.0000000 0.0000000 0.0000089 0.0000089\n513.0 2.30E-22 0.0000000 0.0000000 0.0000087 0.0000000 0.0000000 0.0000087 0.0000087\n514.0 3.00E-22 0.0000000 0.0000000 0.0000084 0.0000000 0.0000000 0.0000084 0.0000084\n515.0 5.30E-22 0.0000000 0.0000000 0.0000082 0.0000000 0.0000000 0.0000082 0.0000082\n516.0 3.50E-22 0.0000000 0.0000000 0.0000080 0.0000000 0.0000000 0.0000080 0.0000080\n517.0 5.10E-22 0.0000000 0.0000000 0.0000078 0.0000000 0.0000000 0.0000078 0.0000078\n518.0 1.02E-21 0.0000000 0.0000000 0.0000076 0.0000000 0.0000000 0.0000076 0.0000076\n519.0 6.50E-22 0.0000000 0.0000000 0.0000074 0.0000000 0.0000000 0.0000074 0.0000074\n520.0 1.00E-21 0.0000000 0.0000000 0.0000072 0.0000000 0.0000000 0.0000072 0.0000072\n521.0 1.69E-21 0.0000000 0.0000000 0.0000070 0.0000000 0.0000000 0.0000070 0.0000070\n522.0 3.70E-22 0.0000000 0.0000000 0.0000068 0.0000000 0.0000000 0.0000068 0.0000068\n523.0 1.10E-22 0.0000000 0.0000000 0.0000066 0.0000000 0.0000000 0.0000066 0.0000066\n524.0 7.00E-23 0.0000000 0.0000000 0.0000064 0.0000000 0.0000000 0.0000064 0.0000064\n525.0 4.00E-23 0.0000000 0.0000000 0.0000063 0.0000000 0.0000000 0.0000063 0.0000063\n526.0 0.00E+00 0.0000000 0.0000000 0.0000061 0.0000000 0.0000000 0.0000061 0.0000061\n\n\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/GLYOX_R_CRI", "content": "GLYOX_R_CRI\n!Glyoxal (CHOCHO) channel quantum yields (1 bar, 298 K) \n!Rate sums quantum yields of phi2, phi4, and phi5 channels because the species are\n! expected result from these channels\n!\n!CHOCHO--->2HCO\n!CHOCHO--->2H+2CHO\n!CHOCHO--->HCO+CO+H\n!\n!Cross-Section combines IUPAC (2013) recommendation (250-473 nm) and JPL 2011 (474-526 nm). \n! The latter comes from the URL:\n! http://satellite.mpic.de/spectral_atlas/cross_sections/Organics%20%28carbonyls%29/Bicarbonyls/CHOCHO.spc\n! accessed Feb. 12, 2016\n! Note that the JPL values are the same from 250 to 473 nm as IUPAC values\n!\n!Quantum Yields based on recommendation \n! http://iupac.pole-ether.fr/htdocs/datasheets/pdf/P4_(CHO)2+hv.pdf dated 2013 but \n! the IUPAC data sheet appears to incorrectly use the formula for\n! QY of total and individual channels derived in \n! Salter, R. J., Blitz, M. A., Heard, D. E., Pilling, M. J., Rickard, A. R. and \n! Seakins, P. W., Phys. Chem. Chem. Phys., 15, 6516, 2013.\n! (1) In IUPAC datasheet, the right side of the phi total equation should use the \n! reciprocal of pressure correction based on EQ6 in Salter et al. (2013)\n! (2) The IUPAC datasheet may have reversed B1 and B2 values in Table 3 in Salter et al.\n! (2013) for the individual\n! \n!Channel Possible: \n!phi1 = H2 + 2CO\n!phi2 = HCO + HCO\n!phi3 = HCHO + CO\n!phi4 = HCO+CO+H\n!phi5 = 2H+2CO\n!phi6 = TOTAL\n!\n! \n!wvl XCROSS 2CO+2HO2 H2+2CO 2HCO HCHO+CO HCO+CO+H 2H+2CO Total \nPoints (the mechanism evaluated with this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n250.0 1.73E-20 0.6449310 0.0000000 0.0034229 0.3549940 0.3888348 0.2526732 0.9999250\t \n251.0 1.52E-20 0.6429681 0.0000000 0.0036735 0.3569473 0.3887472 0.2505473 0.9999154\t \n252.0 1.48E-20 0.6408721 0.0000000 0.0039424 0.3590325 0.3886531 0.2482767 0.9999046\t \n253.0 1.55E-20 0.6386375 0.0000000 0.0042309 0.3612552 0.3885518 0.2458548 0.9998926\t \n254.0 1.60E-20 0.6362586 0.0000000 0.0045404 0.3636207 0.3884428 0.2432753 0.9998792\t \n255.0 1.67E-20 0.6337303 0.0000000 0.0048724 0.3661339 0.3883257 0.2405322 0.9998643\t \n256.0 1.62E-20 0.6310481 0.0000000 0.0052285 0.3687995 0.3881997 0.2376199 0.9998476\t \n257.0 1.81E-20 0.6282079 0.0000000 0.0056106 0.3716211 0.3880642 0.2345331 0.9998290\t \n258.0 1.82E-20 0.6252065 0.0000000 0.0060203 0.3746019 0.3879185 0.2312676 0.9998084\t \n259.0 1.85E-20 0.6220413 0.0000000 0.0064598 0.3777441 0.3877619 0.2278196 0.9997855\t \n260.0 1.83E-20 0.6187110 0.0000000 0.0069311 0.3810490 0.3875934 0.2241865 0.9997600\t \n261.0 1.96E-20 0.6152152 0.0000000 0.0074365 0.3845164 0.3874123 0.2203664 0.9997317\t \n262.0 2.03E-20 0.6115550 0.0000000 0.0079785 0.3881453 0.3872176 0.2163590 0.9997003\t \n263.0 2.14E-20 0.6077327 0.0000000 0.0085596 0.3919329 0.3870082 0.2121650 0.9996656\t \n264.0 2.18E-20 0.6037523 0.0000000 0.0091825 0.3958748 0.3867831 0.2077866 0.9996271\t \n265.0 2.26E-20 0.5996193 0.0000000 0.0098504 0.3999653 0.3865412 0.2032277 0.9995846\t \n266.0 2.33E-20 0.5953410 0.0000000 0.0105662 0.4041966 0.3862811 0.1984937 0.9995376\t \n267.0 2.37E-20 0.5909266 0.0000000 0.0113334 0.4085591 0.3860016 0.1935916 0.9994857\t \n268.0 2.36E-20 0.5863870 0.0000000 0.0121555 0.4130414 0.3857013 0.1885302 0.9994284\t \n269.0 2.48E-20 0.5817350 0.0000000 0.0130364 0.4176302 0.3853785 0.1833200 0.9993652\t \n270.0 2.51E-20 0.5769852 0.0000000 0.0139802 0.4223104 0.3850318 0.1779733 0.9992956\t \n271.0 2.61E-20 0.5721542 0.0000000 0.0149912 0.4270648 0.3846593 0.1725038 0.9992190\t \n272.0 2.72E-20 0.5672599 0.0000000 0.0160739 0.4318748 0.3842591 0.1669269 0.9991347\t \n273.0 2.81E-20 0.5623220 0.0000000 0.0172333 0.4367200 0.3838294 0.1612593 0.9990421\t \n274.0 2.92E-20 0.5573615 0.0000000 0.0184746 0.4415788 0.3833680 0.1555189 0.9989403\t \n275.0 3.00E-20 0.5524004 0.0000000 0.0198033 0.4464282 0.3828726 0.1497245 0.9988286\t \n276.0 3.06E-20 0.5474619 0.0000000 0.0212252 0.4512442 0.3823409 0.1438957 0.9987061\t \n277.0 3.09E-20 0.5425695 0.0000000 0.0227467 0.4560022 0.3817702 0.1380526 0.9985717\t \n278.0 3.08E-20 0.5377475 0.0000000 0.0243741 0.4606771 0.3811580 0.1322155 0.9984246\t \n279.0 3.09E-20 0.5330200 0.0000000 0.0261144 0.4652436 0.3805012 0.1264044 0.9982636\t \n280.0 3.14E-20 0.5284112 0.0000000 0.0279750 0.4696763 0.3797969 0.1206392 0.9980875\t \n281.0 3.22E-20 0.5239446 0.0000000 0.0299636 0.4739504 0.3790418 0.1149392 0.9978950\t \n282.0 3.32E-20 0.5196433 0.0000000 0.0320883 0.4780414 0.3782325 0.1093226 0.9976848\t \n283.0 3.46E-20 0.5155295 0.0000000 0.0343575 0.4819258 0.3773653 0.1038066 0.9974553\t \n284.0 3.57E-20 0.5116241 0.0000000 0.0367804 0.4855809 0.3764364 0.0984072 0.9972050\t \n285.0 3.67E-20 0.5079469 0.0000000 0.0393661 0.4889853 0.3754419 0.0931389 0.9969322\t \n286.0 3.80E-20 0.5045164 0.0000000 0.0421246 0.4921187 0.3743774 0.0880144 0.9966350\t \n287.0 3.79E-20 0.5013495 0.0000000 0.0450659 0.4949621 0.3732384 0.0830451 0.9963115\t \n288.0 3.81E-20 0.4984617 0.0000000 0.0482009 0.4974980 0.3720204 0.0782405 0.9959597\t \n289.0 3.80E-20 0.4958669 0.0000000 0.0515403 0.4997103 0.3707183 0.0736083 0.9955772\t \n290.0 3.73E-20 0.4935774 0.0000000 0.0550956 0.5015843 0.3693271 0.0691547 0.9951617\t \n291.0 3.64E-20 0.4916041 0.0000000 0.0588786 0.5031065 0.3678414 0.0648841 0.9947106\t \n292.0 3.65E-20 0.4899563 0.0000000 0.0629013 0.5042649 0.3662556 0.0607993 0.9942212\t \n293.0 3.68E-20 0.4886420 0.0000000 0.0671760 0.5050487 0.3645641 0.0569019 0.9936907\t \n294.0 3.73E-20 0.4876679 0.0000000 0.0717153 0.5054480 0.3627609 0.0531918 0.9931159\t \n295.0 3.81E-20 0.4870393 0.0000000 0.0765317 0.5054543 0.3608398 0.0496678 0.9924936\t \n296.0 3.82E-20 0.4867603 0.0000000 0.0816382 0.5050599 0.3587946 0.0463276 0.9918202\t \n297.0 3.92E-20 0.4868342 0.0000000 0.0870474 0.5042580 0.3566188 0.0431679 0.9910921\t \n298.0 4.07E-20 0.4872628 0.0000000 0.0927722 0.5030426 0.3543060 0.0401847 0.9903055\t \n299.0 4.12E-20 0.4880473 0.0000000 0.0988248 0.5014087 0.3518494 0.0373730 0.9894560\t \n300.0 4.05E-20 0.4891877 0.0000000 0.1052175 0.4993517 0.3492426 0.0347276 0.9885394\t \n301.0 3.91E-20 0.4906831 0.0000000 0.1119620 0.4968679 0.3464787 0.0322424 0.9875510\t \n302.0 3.78E-20 0.4925317 0.0000000 0.1190691 0.4939541 0.3435513 0.0299113 0.9864859\t \n303.0 3.57E-20 0.4947308 0.0000000 0.1265491 0.4906081 0.3404539 0.0277278 0.9853389\t \n304.0 3.35E-20 0.4972766 0.0000000 0.1344112 0.4868281 0.3371801 0.0256853 0.9841047\t \n305.0 3.24E-20 0.5001642 0.0000000 0.1426634 0.4826133 0.3337239 0.0237769 0.9827776\t \n306.0 3.22E-20 0.5033878 0.0000000 0.1513122 0.4779637 0.3300795 0.0219960 0.9813514\t \n307.0 3.20E-20 0.5069401 0.0000000 0.1603625 0.4728800 0.3262417 0.0203359 0.9798201\t \n308.0 3.15E-20 0.5108127 0.0000000 0.1698173 0.4673642 0.3222054 0.0187899 0.9781769\t \n309.0 3.12E-20 0.5149957 0.0000000 0.1796775 0.4614194 0.3179666 0.0173516 0.9764151\t \n310.0 3.10E-20 0.5194777 0.0000000 0.1899416 0.4550499 0.3135214 0.0160147 0.9745275\t \n311.0 3.22E-20 0.5242455 0.0000000 0.2006053 0.4482612 0.3088673 0.0147730 0.9725067\t \n312.0 3.34E-20 0.5292843 0.0000000 0.2116616 0.4410606 0.3040021 0.0136207 0.9703449\t \n313.0 3.39E-20 0.5345773 0.0000000 0.2231003 0.4334568 0.2989249 0.0125521 0.9680341\t \n314.0 3.23E-20 0.5401057 0.0000000 0.2349080 0.4254603 0.2936359 0.0115618 0.9655660\t \n315.0 2.81E-20 0.5458486 0.0000000 0.2470674 0.4170835 0.2881364 0.0106448 0.9629321\t \n316.0 2.65E-20 0.5517829 0.0000000 0.2595580 0.4083407 0.2824289 0.0097960 0.9601236\t \n317.0 2.46E-20 0.5578834 0.0000000 0.2723551 0.3992481 0.2765174 0.0090109 0.9571315\t \n318.0 2.21E-20 0.5641224 0.0000000 0.2854301 0.3898240 0.2704072 0.0082852 0.9539464\t \n319.0 1.93E-20 0.5704702 0.0000000 0.2987506 0.3800888 0.2641051 0.0076145 0.9505591\t \n320.0 1.85E-20 0.5768949 0.0000000 0.3122801 0.3700649 0.2576196 0.0069952 0.9469598\t \n321.0 1.89E-20 0.5833623 0.0000000 0.3259785 0.3597767 0.2509604 0.0064235 0.9431390\t \n322.0 1.77E-20 0.5898365 0.0000000 0.3398016 0.3492503 0.2441390 0.0058959 0.9390868\t \n323.0 1.72E-20 0.5962796 0.0000000 0.3537019 0.3385139 0.2371682 0.0054094 0.9347934\t \n324.0 1.68E-20 0.6026521 0.0000000 0.3676286 0.3275969 0.2300626 0.0049609 0.9302491\t \n325.0 1.60E-20 0.6089134 0.0000000 0.3815281 0.3165305 0.2228377 0.0045476 0.9254439\t \n326.0 1.61E-20 0.6150217 0.0000000 0.3953441 0.3053467 0.2155107 0.0041669 0.9203684\t \n327.0 1.70E-20 0.6209344 0.0000000 0.4090184 0.2940785 0.2080997 0.0038164 0.9150130\t \n328.0 1.94E-20 0.6266088 0.0000000 0.4224911 0.2827598 0.2006239 0.0034937 0.9093686\t \n329.0 1.86E-20 0.6320018 0.0000000 0.4357017 0.2714244 0.1931033 0.0031969 0.9034263\t \n330.0 1.69E-20 0.6370712 0.0000000 0.4485888 0.2601064 0.1855585 0.0029239 0.8971776\t \n331.0 1.13E-20 0.6417753 0.0000000 0.4610917 0.2488393 0.1780107 0.0026729 0.8906146\t \n332.0 1.05E-20 0.6460737 0.0000000 0.4731504 0.2376561 0.1704810 0.0024423 0.8837299\t \n333.0 9.66E-21 0.6499277 0.0000000 0.4847064 0.2265889 0.1629908 0.0022304 0.8765166\t \n334.0 9.19E-21 0.6533004 0.0000000 0.4957034 0.2156684 0.1555611 0.0020359 0.8689689\t \n335.0 7.37E-21 0.6561576 0.0000000 0.5060877 0.2049239 0.1482125 0.0018574 0.8610815\t \n336.0 6.30E-21 0.6584675 0.0000000 0.5158091 0.1943827 0.1409649 0.0016936 0.8528502\t \n337.0 5.89E-21 0.6602016 0.0000000 0.5248210 0.1840702 0.1338373 0.0015434 0.8442719\t \n338.0 6.47E-21 0.6613345 0.0000000 0.5330812 0.1740098 0.1268476 0.0014057 0.8353444\t \n339.0 5.85E-21 0.6618445 0.0000000 0.5405522 0.1642224 0.1200127 0.0012795 0.8260668\t \n340.0 5.53E-21 0.6617133 0.0000000 0.5472013 0.1547263 0.1133480 0.0011640 0.8164396\t \n341.0 5.63E-21 0.6609268 0.0000000 0.5530013 0.1455377 0.1068672 0.0010583 0.8064645\t \n342.0 5.10E-21 0.6594748 0.0000000 0.5579304 0.1366698 0.1005828 0.0009616 0.7961446\t \n343.0 4.99E-21 0.6573508 0.0000000 0.5619722 0.1281337 0.0945055 0.0008732 0.7854845\t \n344.0 6.49E-21 0.6545526 0.0000000 0.5651161 0.1199378 0.0886442 0.0007923 0.7744904\t \n345.0 6.24E-21 0.6510818 0.0000000 0.5673571 0.1120880 0.0830062 0.0007185 0.7631698\t \n346.0 7.33E-21 0.6469440 0.0000000 0.5686955 0.1045881 0.0775973 0.0006512 0.7515322\t \n347.0 6.31E-21 0.6421485 0.0000000 0.5691372 0.0974397 0.0724215 0.0005897 0.7395881\t \n348.0 6.04E-21 0.6367080 0.0000000 0.5686930 0.0906421 0.0674813 0.0005337 0.7273501\t \n349.0 4.15E-21 0.6306390 0.0000000 0.5673789 0.0841928 0.0627775 0.0004827 0.7148319\t \n350.0 3.91E-21 0.6239610 0.0000000 0.5652151 0.0780878 0.0583097 0.0004363 0.7020488\t \n351.0 3.95E-21 0.6166965 0.0000000 0.5622263 0.0723211 0.0540762 0.0003940 0.6890176\t \n352.0 4.23E-21 0.6088706 0.0000000 0.5584411 0.0668858 0.0500740 0.0003556 0.6757564\t \n353.0 4.15E-21 0.6005112 0.0000000 0.5538915 0.0617733 0.0462990 0.0003207 0.6622845\t \n354.0 4.03E-21 0.5916480 0.0000000 0.5486128 0.0569743 0.0427462 0.0002890 0.6486223\t \n355.0 4.22E-21 0.5823129 0.0000000 0.5426428 0.0524784 0.0394098 0.0002602 0.6347913\t \n356.0 4.43E-21 0.5725391 0.0000000 0.5360216 0.0482747 0.0362833 0.0002342 0.6208138\t \n357.0 4.31E-21 0.5623613 0.0000000 0.5287914 0.0443515 0.0333593 0.0002106 0.6067127\t \n358.0 4.71E-21 0.5518150 0.0000000 0.5209955 0.0406968 0.0306303 0.0001892 0.5925118\t \n359.0 5.03E-21 0.5409367 0.0000000 0.5126786 0.0372983 0.0280882 0.0001699 0.5782350\t \n360.0 5.46E-21 0.5297631 0.0000000 0.5038858 0.0341435 0.0257248 0.0001525 0.5639066\t \n361.0 6.27E-21 0.5183309 0.0000000 0.4946628 0.0312199 0.0235314 0.0001367 0.5495508\t \n362.0 7.06E-21 0.5066770 0.0000000 0.4850550 0.0285150 0.0214995 0.0001225 0.5351920\t \n363.0 6.39E-21 0.4948377 0.0000000 0.4751076 0.0260164 0.0196204 0.0001097 0.5208541\t \n364.0 6.80E-21 0.4828487 0.0000000 0.4648649 0.0237120 0.0178856 0.0000982 0.5065607\t \n365.0 6.65E-21 0.4707450 0.0000000 0.4543706 0.0215898 0.0162866 0.0000878 0.4923349\t \n366.0 7.43E-21 0.4585605 0.0000000 0.4436670 0.0196383 0.0148151 0.0000785 0.4781989\t \n367.0 8.60E-21 0.4463279 0.0000000 0.4327949 0.0178463 0.0134630 0.0000701 0.4641742\t \n368.0 1.01E-20 0.4340785 0.0000000 0.4217936 0.0162030 0.0122224 0.0000625 0.4502815\t \n369.0 1.06E-20 0.4218422 0.0000000 0.4107007 0.0146981 0.0110857 0.0000558 0.4365403\t \n370.0 1.14E-20 0.4096472 0.0000000 0.3995518 0.0133216 0.0100457 0.0000497 0.4229689\t \n371.0 1.19E-20 0.3975202 0.0000000 0.3883805 0.0120642 0.0090954 0.0000443 0.4095844\t \n372.0 1.14E-20 0.3854859 0.0000000 0.3772183 0.0109169 0.0082281 0.0000395 0.3964028\t \n373.0 1.21E-20 0.3735673 0.0000000 0.3660945 0.0098712 0.0074376 0.0000351 0.3834385\t \n374.0 1.35E-20 0.3617855 0.0000000 0.3550363 0.0089193 0.0067180 0.0000312 0.3707048\t \n375.0 1.33E-20 0.3501598 0.0000000 0.3440685 0.0080536 0.0060635 0.0000278 0.3582133\t \n376.0 1.38E-20 0.3387075 0.0000000 0.3332138 0.0072671 0.0054690 0.0000247 0.3459745\t \n377.0 1.47E-20 0.3274441 0.0000000 0.3224927 0.0065532 0.0049295 0.0000219 0.3339973\t \n378.0 1.61E-20 0.3163833 0.0000000 0.3119235 0.0059059 0.0044403 0.0000195 0.3222892\t \n379.0 1.53E-20 0.3055367 0.0000000 0.3015221 0.0053194 0.0039973 0.0000173 0.3108562\t \n380.0 1.93E-20 0.2949144 0.0000000 0.2913027 0.0047886 0.0035964 0.0000153 0.2997030\t \n381.0 2.46E-20 0.2845245 0.0000000 0.2812771 0.0043084 0.0032339 0.0000136 0.2888329\t \n382.0 2.02E-20 0.2743735 0.0000000 0.2714551 0.0038743 0.0029064 0.0000120 0.2782478\t \n383.0 2.07E-20 0.2644658 0.0000000 0.2618445 0.0034823 0.0026107 0.0000107 0.2679481\t \n384.0 1.94E-20 0.2548046 0.0000000 0.2524513 0.0031285 0.0023439 0.0000094 0.2579330\t \n385.0 1.89E-20 0.2453909 0.0000000 0.2432792 0.0028093 0.0021033 0.0000084 0.2482001\t \n386.0 1.84E-20 0.2362242 0.0000000 0.2343303 0.0025215 0.0018865 0.0000074 0.2387457\t \n387.0 2.29E-20 0.2273023 0.0000000 0.2256044 0.0022621 0.0016913 0.0000065 0.2295643\t \n388.0 3.00E-20 0.2186209 0.0000000 0.2170995 0.0020284 0.0015155 0.0000058 0.2206493\t \n389.0 3.21E-20 0.2101740 0.0000000 0.2088115 0.0018180 0.0013573 0.0000051 0.2119920\t \n390.0 3.48E-20 0.2019535 0.0000000 0.2007340 0.0016286 0.0012150 0.0000045 0.2035821\t \n391.0 3.92E-20 0.1939493 0.0000000 0.1928583 0.0014581 0.0010870 0.0000040 0.1954074\t \n392.0 3.80E-20 0.1861487 0.0000000 0.1851734 0.0013046 0.0009718 0.0000035 0.1874533\t \n393.0 2.85E-20 0.1785368 0.0000000 0.1776655 0.0011664 0.0008682 0.0000031 0.1797032\t \n394.0 3.15E-20 0.1710956 0.0000000 0.1703179 0.0010420 0.0007750 0.0000027 0.1721376\t \n395.0 3.86E-20 0.1638045 0.0000000 0.1631110 0.0009299 0.0006911 0.0000024 0.1647344\t \n396.0 3.68E-20 0.1566395 0.0000000 0.1560219 0.0008289 0.0006155 0.0000021 0.1574684\t \n397.0 3.36E-20 0.1495736 0.0000000 0.1490243 0.0007378 0.0005474 0.0000019 0.1503114\t \n398.0 4.32E-20 0.1425765 0.0000000 0.1420889 0.0006555 0.0004860 0.0000016 0.1432320\t \n399.0 4.35E-20 0.1356151 0.0000000 0.1351832 0.0005812 0.0004305 0.0000014 0.1361963\t \n400.0 3.87E-20 0.1286544 0.0000000 0.1282728 0.0005139 0.0003804 0.0000012 0.1291683\t \n401.0 4.46E-20 0.1216585 0.0000000 0.1213225 0.0004529 0.0003350 0.0000011 0.1221114\t \n402.0 5.84E-20 0.1145928 0.0000000 0.1142981 0.0003976 0.0002938 0.0000009 0.1149905\t \n403.0 7.16E-20 0.1074273 0.0000000 0.1071700 0.0003474 0.0002565 0.0000008 0.1077748\t \n404.0 6.24E-20 0.1001401 0.0000000 0.0999167 0.0003019 0.0002227 0.0000007 0.1004420\t \n405.0 4.49E-20 0.0927228 0.0000000 0.0925302 0.0002605 0.0001920 0.0000006 0.0929833\t \n406.0 4.48E-20 0.0851853 0.0000000 0.0850205 0.0002231 0.0001643 0.0000005 0.0854084\t \n407.0 4.07E-20 0.0775610 0.0000000 0.0774213 0.0001893 0.0001393 0.0000004 0.0777503\t \n408.0 3.44E-20 0.0699094 0.0000000 0.0697921 0.0001590 0.0001169 0.0000003 0.0700684\t \n409.0 4.01E-20 0.0623161 0.0000000 0.0622188 0.0001321 0.0000970 0.0000003 0.0624482\t \n410.0 5.66E-20 0.0548884 0.0000000 0.0548086 0.0001084 0.0000796 0.0000002 0.0549968\t \n411.0 7.22E-20 0.0477459 0.0000000 0.0476812 0.0000879 0.0000645 0.0000002 0.0478338\t \n412.0 7.41E-20 0.0410082 0.0000000 0.0409565 0.0000704 0.0000516 0.0000001 0.0410786\t \n413.0 1.08E-19 0.0347814 0.0000000 0.0347406 0.0000556 0.0000407 0.0000001 0.0348370\t \n414.0 1.01E-19 0.0291462 0.0000000 0.0291143 0.0000434 0.0000318 0.0000001 0.0291897\t \n415.0 1.02E-19 0.0241507 0.0000000 0.0241261 0.0000335 0.0000245 0.0000001 0.0241843\t \n416.0 6.07E-20 0.0198086 0.0000000 0.0197899 0.0000256 0.0000187 0.0000001 0.0198343\t \n417.0 6.83E-20 0.0161025 0.0000000 0.0160882 0.0000194 0.0000142 0.0000000 0.0161219\t \n418.0 7.87E-20 0.0129903 0.0000000 0.0129796 0.0000146 0.0000106 0.0000000 0.0130049\t \n419.0 9.13E-20 0.0104140 0.0000000 0.0104060 0.0000109 0.0000079 0.0000000 0.0104249\t \n420.0 5.60E-20 0.0083074 0.0000000 0.0083014 0.0000081 0.0000059 0.0000000 0.0083155\t \n421.0 7.19E-20 0.0066024 0.0000000 0.0065980 0.0000060 0.0000044 0.0000000 0.0066084\t \n422.0 6.99E-20 0.0052341 0.0000000 0.0052308 0.0000044 0.0000032 0.0000000 0.0052385\t \n423.0 1.30E-19 0.0041434 0.0000000 0.0041410 0.0000033 0.0000024 0.0000000 0.0041467\t \n424.0 8.24E-20 0.0032787 0.0000000 0.0032769 0.0000024 0.0000018 0.0000000 0.0032811\t \n425.0 1.04E-19 0.0025959 0.0000000 0.0025946 0.0000018 0.0000013 0.0000000 0.0025977\t \n426.0 1.64E-19 0.0020584 0.0000000 0.0020575 0.0000013 0.0000010 0.0000000 0.0020598\t \n427.0 1.61E-19 0.0016362 0.0000000 0.0016355 0.0000010 0.0000007 0.0000000 0.0016372\t \n428.0 2.14E-19 0.0013049 0.0000000 0.0013044 0.0000007 0.0000005 0.0000000 0.0013056\t \n429.0 6.50E-20 0.0010451 0.0000000 0.0010447 0.0000005 0.0000004 0.0000000 0.0010456\t \n430.0 7.03E-20 0.0008414 0.0000000 0.0008411 0.0000004 0.0000003 0.0000000 0.0008418\t \n431.0 6.52E-20 0.0006815 0.0000000 0.0006813 0.0000003 0.0000002 0.0000000 0.0006818\t \n432.0 6.08E-20 0.0005559 0.0000000 0.0005557 0.0000002 0.0000002 0.0000000 0.0005561\t \n433.0 5.66E-20 0.0004570 0.0000000 0.0004569 0.0000002 0.0000001 0.0000000 0.0004572\t \n434.0 6.81E-20 0.0003791 0.0000000 0.0003790 0.0000001 0.0000001 0.0000000 0.0003792\t \n435.0 7.66E-20 0.0003174 0.0000000 0.0003174 0.0000001 0.0000001 0.0000000 0.0003175\t \n436.0 1.32E-19 0.0002685 0.0000000 0.0002685 0.0000001 0.0000001 0.0000000 0.0002686\t \n437.0 9.19E-20 0.0002295 0.0000000 0.0002295 0.0000001 0.0000000 0.0000000 0.0002296\t \n438.0 1.38E-19 0.0001984 0.0000000 0.0001983 0.0000001 0.0000000 0.0000000 0.0001984\t \n439.0 1.21E-19 0.0001733 0.0000000 0.0001733 0.0000000 0.0000000 0.0000000 0.0001733\t \n440.0 2.59E-19 0.0001530 0.0000000 0.0001530 0.0000000 0.0000000 0.0000000 0.0001531\t \n441.0 1.31E-19 0.0001365 0.0000000 0.0001365 0.0000000 0.0000000 0.0000000 0.0001365\t \n442.0 9.01E-20 0.0001230 0.0000000 0.0001230 0.0000000 0.0000000 0.0000000 0.0001230\t \n443.0 1.11E-19 0.0001118 0.0000000 0.0001118 0.0000000 0.0000000 0.0000000 0.0001118\t \n444.0 1.35E-19 0.0001024 0.0000000 0.0001024 0.0000000 0.0000000 0.0000000 0.0001025\t \n445.0 1.51E-19 0.0000946 0.0000000 0.0000946 0.0000000 0.0000000 0.0000000 0.0000946\t \n446.0 7.82E-20 0.0000879 0.0000000 0.0000879 0.0000000 0.0000000 0.0000000 0.0000879\t \n447.0 3.73E-20 0.0000822 0.0000000 0.0000822 0.0000000 0.0000000 0.0000000 0.0000822\t \n448.0 4.14E-20 0.0000772 0.0000000 0.0000772 0.0000000 0.0000000 0.0000000 0.0000772\t \n449.0 5.53E-20 0.0000728 0.0000000 0.0000728 0.0000000 0.0000000 0.0000000 0.0000729\t \n450.0 8.68E-20 0.0000690 0.0000000 0.0000690 0.0000000 0.0000000 0.0000000 0.0000690\t \n451.0 1.38E-19 0.0000656 0.0000000 0.0000656 0.0000000 0.0000000 0.0000000 0.0000656\t \n452.0 1.59E-19 0.0000625 0.0000000 0.0000625 0.0000000 0.0000000 0.0000000 0.0000625\t \n453.0 3.04E-19 0.0000596 0.0000000 0.0000596 0.0000000 0.0000000 0.0000000 0.0000597\t \n454.0 2.69E-19 0.0000571 0.0000000 0.0000571 0.0000000 0.0000000 0.0000000 0.0000571\t \n455.0 5.20E-19 0.0000547 0.0000000 0.0000547 0.0000000 0.0000000 0.0000000 0.0000547\t \n456.0 1.57E-19 0.0000525 0.0000000 0.0000525 0.0000000 0.0000000 0.0000000 0.0000525\t \n457.0 2.66E-20 0.0000504 0.0000000 0.0000504 0.0000000 0.0000000 0.0000000 0.0000504\t \n458.0 2.20E-20 0.0000485 0.0000000 0.0000485 0.0000000 0.0000000 0.0000000 0.0000485\t \n459.0 9.02E-21 0.0000467 0.0000000 0.0000467 0.0000000 0.0000000 0.0000000 0.0000467\t \n460.0 1.20E-20 0.0000450 0.0000000 0.0000450 0.0000000 0.0000000 0.0000000 0.0000450\t \n461.0 8.83E-21 0.0000434 0.0000000 0.0000434 0.0000000 0.0000000 0.0000000 0.0000434\t \n462.0 5.88E-21 0.0000418 0.0000000 0.0000418 0.0000000 0.0000000 0.0000000 0.0000418\t \n463.0 3.22E-21 0.0000404 0.0000000 0.0000404 0.0000000 0.0000000 0.0000000 0.0000404\t \n464.0 3.39E-21 0.0000390 0.0000000 0.0000390 0.0000000 0.0000000 0.0000000 0.0000390\t \n465.0 3.30E-21 0.0000376 0.0000000 0.0000376 0.0000000 0.0000000 0.0000000 0.0000377\t \n466.0 4.16E-21 0.0000364 0.0000000 0.0000364 0.0000000 0.0000000 0.0000000 0.0000364\t \n467.0 5.22E-21 0.0000352 0.0000000 0.0000352 0.0000000 0.0000000 0.0000000 0.0000352\t \n468.0 1.49E-21 0.0000340 0.0000000 0.0000340 0.0000000 0.0000000 0.0000000 0.0000340\t \n469.0 9.10E-22 0.0000329 0.0000000 0.0000329 0.0000000 0.0000000 0.0000000 0.0000329\t \n470.0 7.60E-22 0.0000318 0.0000000 0.0000318 0.0000000 0.0000000 0.0000000 0.0000318\t \n471.0 8.60E-22 0.0000307 0.0000000 0.0000307 0.0000000 0.0000000 0.0000000 0.0000307\t \n472.0 9.20E-22 0.0000297 0.0000000 0.0000297 0.0000000 0.0000000 0.0000000 0.0000297\t \n473.0 1.10E-21 0.0000288 0.0000000 0.0000288 0.0000000 0.0000000 0.0000000 0.0000288\t \n474.0 1.08E-21 0.0000279 0.0000000 0.0000279 0.0000000 0.0000000 0.0000000 0.0000279 \n475.0 1.59E-21 0.0000270 0.0000000 0.0000270 0.0000000 0.0000000 0.0000000 0.0000270 \n476.0 1.55E-21 0.0000261 0.0000000 0.0000261 0.0000000 0.0000000 0.0000000 0.0000261 \n477.0 1.81E-21 0.0000253 0.0000000 0.0000253 0.0000000 0.0000000 0.0000000 0.0000253 \n478.0 2.55E-21 0.0000245 0.0000000 0.0000245 0.0000000 0.0000000 0.0000000 0.0000245 \n479.0 1.42E-21 0.0000237 0.0000000 0.0000237 0.0000000 0.0000000 0.0000000 0.0000237 \n480.0 7.40E-22 0.0000230 0.0000000 0.0000230 0.0000000 0.0000000 0.0000000 0.0000230 \n481.0 7.00E-22 0.0000223 0.0000000 0.0000223 0.0000000 0.0000000 0.0000000 0.0000223 \n482.0 6.50E-22 0.0000216 0.0000000 0.0000216 0.0000000 0.0000000 0.0000000 0.0000216 \n483.0 5.30E-22 0.0000209 0.0000000 0.0000209 0.0000000 0.0000000 0.0000000 0.0000209 \n484.0 7.10E-22 0.0000203 0.0000000 0.0000203 0.0000000 0.0000000 0.0000000 0.0000203 \n485.0 5.00E-22 0.0000197 0.0000000 0.0000197 0.0000000 0.0000000 0.0000000 0.0000197 \n486.0 4.10E-22 0.0000191 0.0000000 0.0000191 0.0000000 0.0000000 0.0000000 0.0000191 \n487.0 5.60E-22 0.0000185 0.0000000 0.0000185 0.0000000 0.0000000 0.0000000 0.0000185 \n488.0 7.00E-22 0.0000179 0.0000000 0.0000179 0.0000000 0.0000000 0.0000000 0.0000179 \n489.0 4.20E-22 0.0000174 0.0000000 0.0000174 0.0000000 0.0000000 0.0000000 0.0000174 \n490.0 4.50E-22 0.0000169 0.0000000 0.0000169 0.0000000 0.0000000 0.0000000 0.0000169 \n491.0 4.10E-22 0.0000164 0.0000000 0.0000164 0.0000000 0.0000000 0.0000000 0.0000164 \n492.0 3.90E-22 0.0000159 0.0000000 0.0000159 0.0000000 0.0000000 0.0000000 0.0000159 \n493.0 4.00E-22 0.0000154 0.0000000 0.0000154 0.0000000 0.0000000 0.0000000 0.0000154 \n494.0 4.10E-22 0.0000150 0.0000000 0.0000150 0.0000000 0.0000000 0.0000000 0.0000150 \n495.0 4.20E-22 0.0000145 0.0000000 0.0000145 0.0000000 0.0000000 0.0000000 0.0000145 \n496.0 4.50E-22 0.0000141 0.0000000 0.0000141 0.0000000 0.0000000 0.0000000 0.0000141 \n497.0 3.30E-22 0.0000137 0.0000000 0.0000137 0.0000000 0.0000000 0.0000000 0.0000137 \n498.0 3.50E-22 0.0000133 0.0000000 0.0000133 0.0000000 0.0000000 0.0000000 0.0000133 \n499.0 3.20E-22 0.0000129 0.0000000 0.0000129 0.0000000 0.0000000 0.0000000 0.0000129 \n500.0 3.30E-22 0.0000125 0.0000000 0.0000125 0.0000000 0.0000000 0.0000000 0.0000125 \n501.0 3.80E-22 0.0000122 0.0000000 0.0000122 0.0000000 0.0000000 0.0000000 0.0000122 \n502.0 3.10E-22 0.0000118 0.0000000 0.0000118 0.0000000 0.0000000 0.0000000 0.0000118 \n503.0 4.20E-22 0.0000115 0.0000000 0.0000115 0.0000000 0.0000000 0.0000000 0.0000115 \n504.0 3.40E-22 0.0000112 0.0000000 0.0000112 0.0000000 0.0000000 0.0000000 0.0000112 \n505.0 3.50E-22 0.0000109 0.0000000 0.0000109 0.0000000 0.0000000 0.0000000 0.0000109 \n506.0 4.60E-22 0.0000106 0.0000000 0.0000106 0.0000000 0.0000000 0.0000000 0.0000106 \n507.0 4.20E-22 0.0000103 0.0000000 0.0000103 0.0000000 0.0000000 0.0000000 0.0000103 \n508.0 3.70E-22 0.0000100 0.0000000 0.0000100 0.0000000 0.0000000 0.0000000 0.0000100 \n509.0 3.00E-22 0.0000097 0.0000000 0.0000097 0.0000000 0.0000000 0.0000000 0.0000097 \n510.0 2.30E-22 0.0000094 0.0000000 0.0000094 0.0000000 0.0000000 0.0000000 0.0000094 \n511.0 2.30E-22 0.0000092 0.0000000 0.0000092 0.0000000 0.0000000 0.0000000 0.0000092 \n512.0 3.00E-22 0.0000089 0.0000000 0.0000089 0.0000000 0.0000000 0.0000000 0.0000089 \n513.0 2.30E-22 0.0000087 0.0000000 0.0000087 0.0000000 0.0000000 0.0000000 0.0000087 \n514.0 3.00E-22 0.0000084 0.0000000 0.0000084 0.0000000 0.0000000 0.0000000 0.0000084 \n515.0 5.30E-22 0.0000082 0.0000000 0.0000082 0.0000000 0.0000000 0.0000000 0.0000082 \n516.0 3.50E-22 0.0000080 0.0000000 0.0000080 0.0000000 0.0000000 0.0000000 0.0000080 \n517.0 5.10E-22 0.0000078 0.0000000 0.0000078 0.0000000 0.0000000 0.0000000 0.0000078 \n518.0 1.02E-21 0.0000076 0.0000000 0.0000076 0.0000000 0.0000000 0.0000000 0.0000076 \n519.0 6.50E-22 0.0000074 0.0000000 0.0000074 0.0000000 0.0000000 0.0000000 0.0000074 \n520.0 1.00E-21 0.0000072 0.0000000 0.0000072 0.0000000 0.0000000 0.0000000 0.0000072 \n521.0 1.69E-21 0.0000070 0.0000000 0.0000070 0.0000000 0.0000000 0.0000000 0.0000070 \n522.0 3.70E-22 0.0000068 0.0000000 0.0000068 0.0000000 0.0000000 0.0000000 0.0000068 \n523.0 1.10E-22 0.0000066 0.0000000 0.0000066 0.0000000 0.0000000 0.0000000 0.0000066 \n524.0 7.00E-23 0.0000064 0.0000000 0.0000064 0.0000000 0.0000000 0.0000000 0.0000064 \n525.0 4.00E-23 0.0000063 0.0000000 0.0000063 0.0000000 0.0000000 0.0000000 0.0000063 \n526.0 0.00E+00 0.0000061 0.0000000 0.0000061 0.0000000 0.0000000 0.0000000 0.0000061 \n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/GLY_07M", "content": "GLY-07M \n! HCOCHO + HV = HCHO + H2 \n! Absorption cross sections from Volkamer, R., P. Spietz, J. Burrows, \n! and U. Platt (2005): \"High-resolution absorption cross sections of \n! glyoxal in the UV-vis and IR spectral ranges,\" J. Photochem. Photobiol. \n! A, 172 35-46. Quantum yields at wavelengths below 350 nm derived from \n! those used for the radical forming process assuming total quantum \n! yields of 1. Quantum yields at higher wavelengths assumed to decline \n! expodentially at a rate that gives a 13% formaldehyde yield telative to \n! photodecomposition under the conditions of Plum et al (1983). \n! \nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n289.0 3.800E-20 0.6750\n290.0 3.734E-20 0.6740\n291.0 3.643E-20 0.6730\n292.0 3.654E-20 0.6710\n293.0 3.681E-20 0.6700\n294.0 3.729E-20 0.6690\n295.0 3.809E-20 0.6670\n296.0 3.824E-20 0.6660\n297.0 3.922E-20 0.6650\n298.0 4.073E-20 0.6630\n299.0 4.123E-20 0.6620\n300.0 4.045E-20 0.6610\n301.0 3.905E-20 0.6590\n302.0 3.779E-20 0.6580\n303.0 3.567E-20 0.6570\n304.0 3.350E-20 0.6550\n305.0 3.242E-20 0.6540\n306.0 3.223E-20 0.6530\n307.0 3.200E-20 0.6510\n308.0 3.146E-20 0.6500\n309.0 3.123E-20 0.6410\n310.0 3.100E-20 0.6310\n311.0 3.222E-20 0.6220\n312.0 3.343E-20 0.6130\n313.0 3.390E-20 0.6040\n314.0 3.233E-20 0.5940\n315.0 2.805E-20 0.5850\n316.0 2.646E-20 0.5760\n317.0 2.460E-20 0.5660\n318.0 2.214E-20 0.5570\n319.0 1.927E-20 0.5480\n320.0 1.854E-20 0.5380\n321.0 1.885E-20 0.5290\n322.0 1.766E-20 0.5200\n323.0 1.723E-20 0.5110\n324.0 1.677E-20 0.5010\n325.0 1.603E-20 0.4920\n326.0 1.606E-20 0.4830\n327.0 1.695E-20 0.4730\n328.0 1.937E-20 0.4640\n329.0 1.857E-20 0.4550\n330.0 1.689E-20 0.4450\n331.0 1.128E-20 0.4360\n332.0 1.048E-20 0.4270\n333.0 9.660E-21 0.4170\n334.0 9.190E-21 0.4080\n335.0 7.370E-21 0.3990\n336.0 6.300E-21 0.3900\n337.0 5.890E-21 0.3800\n338.0 6.470E-21 0.3710\n339.0 5.850E-21 0.3620\n340.0 5.530E-21 0.3520\n341.0 5.630E-21 0.3430\n342.0 5.100E-21 0.3340\n343.0 4.990E-21 0.3240\n344.0 6.490E-21 0.3150\n345.0 6.240E-21 0.3060\n346.0 7.330E-21 0.2970\n347.0 6.310E-21 0.2870\n348.0 6.040E-21 0.2780\n349.0 4.150E-21 0.2690\n350.0 3.910E-21 0.2590\n351.0 3.950E-21 0.2500\n352.0 4.230E-21 0.2320\n353.0 4.150E-21 0.2150\n354.0 4.030E-21 0.2000\n355.0 4.220E-21 0.1860\n356.0 4.430E-21 0.1720\n357.0 4.310E-21 0.1600\n358.0 4.710E-21 0.1480\n359.0 5.030E-21 0.1380\n360.0 5.460E-21 0.1280\n361.0 6.270E-21 0.1190\n362.0 7.060E-21 0.1100\n363.0 6.390E-21 0.1020\n364.0 6.800E-21 0.0950\n365.0 6.650E-21 0.0880\n366.0 7.430E-21 0.0820\n367.0 8.600E-21 0.0760\n368.0 1.012E-20 0.0700\n369.0 1.063E-20 0.0650\n370.0 1.139E-20 0.0610\n371.0 1.185E-20 0.0560\n372.0 1.141E-20 0.0520\n373.0 1.212E-20 0.0490\n374.0 1.352E-20 0.0450\n375.0 1.332E-20 0.0420\n376.0 1.377E-20 0.0390\n377.0 1.467E-20 0.0360\n378.0 1.605E-20 0.0330\n379.0 1.534E-20 0.0310\n380.0 1.934E-20 0.0290\n381.0 2.455E-20 0.0270\n382.0 2.019E-20 0.0250\n383.0 2.069E-20 0.0230\n384.0 1.939E-20 0.0210\n385.0 1.893E-20 0.0200\n386.0 1.835E-20 0.0180\n387.0 2.287E-20 0.0170\n388.0 3.000E-20 0.0160\n389.0 3.206E-20 0.0150\n390.0 3.483E-20 0.0140\n391.0 3.922E-20 0.0130\n392.0 3.801E-20 0.0120\n393.0 2.852E-20 0.0110\n394.0 3.147E-20 0.0100\n395.0 3.855E-20 0.0090\n396.0 3.679E-20 0.0090\n397.0 3.361E-20 0.0080\n398.0 4.323E-20 0.0080\n399.0 4.345E-20 0.0070\n400.0 3.873E-20 0.0070\n401.0 4.455E-20 0.0060\n402.0 5.843E-20 0.0060\n403.0 7.159E-20 0.0050\n404.0 6.237E-20 0.0050\n405.0 4.491E-20 0.0040\n406.0 4.482E-20 0.0040\n407.0 4.066E-20 0.0040\n408.0 3.444E-20 0.0040\n409.0 4.008E-20 0.0030\n410.0 5.661E-20 0.0030\n411.0 7.221E-20 0.0030\n412.0 7.406E-20 0.0030\n413.0 1.075E-19 0.0020\n414.0 1.012E-19 0.0020\n415.0 1.019E-19 0.0020\n416.0 6.073E-20 0.0020\n417.0 6.829E-20 0.0020\n418.0 7.873E-20 0.0020\n419.0 9.134E-20 0.0020\n420.0 5.602E-20 0.0010\n421.0 7.188E-20 0.0010\n422.0 6.990E-20 0.0010\n423.0 1.305E-19 0.0010\n424.0 8.239E-20 0.0010\n425.0 1.045E-19 0.0010\n426.0 1.641E-19 0.0010\n427.0 1.610E-19 0.0010\n428.0 2.142E-19 0.0010\n429.0 6.499E-20 0.0010\n430.0 7.027E-20 0.0010\n431.0 6.518E-20 0.0010\n432.0 6.082E-20 0.0010\n433.0 5.657E-20 0.0010\n434.0 6.809E-20 0.0010\n435.0 7.660E-20 0.0000\n436.0 1.319E-19 0.0000\n437.0 9.185E-20 0.0000\n438.0 1.382E-19 0.0000\n439.0 1.214E-19 0.0000\n440.0 2.594E-19 0.0000\n441.0 1.312E-19 0.0000\n442.0 9.013E-20 0.0000\n443.0 1.112E-19 0.0000\n444.0 1.346E-19 0.0000\n445.0 1.511E-19 0.0000\n446.0 7.818E-20 0.0000\n447.0 3.730E-20 0.0000\n448.0 4.144E-20 0.0000\n449.0 5.527E-20 0.0000\n450.0 8.682E-20 0.0000\n451.0 1.382E-19 0.0000\n452.0 1.595E-19 0.0000\n453.0 3.037E-19 0.0000\n454.0 2.690E-19 0.0000\n455.0 5.199E-19 0.0000\n456.0 1.567E-19 0.0000\n457.0 2.661E-20 0.0000\n458.0 2.201E-20 0.0000\n459.0 9.020E-21 0.0000\n460.0 1.202E-20 0.0000\n461.0 8.830E-21 0.0000\n462.0 5.880E-21 0.0000\n463.0 3.220E-21 0.0000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/GLY_07R", "content": "GLY-07R \n! HCOCHO + HV = HCO. + HCO. \n! Absorption cross sections from Volkamer, R., P. Spietz, J. Burrows, and \n! U. Platt (2005): \"High-resolution absorption cross sections of glyoxal \n! in the UV-vis and IR spectral ranges,\" J. Photochem. Photobiol. A, 172 \n! 35-46. Quantum yields at wavelengths below 350 nm based on the data of \n! Zhu et al (1996) which are consistent with the data of Langford and \n! Moore (1984). Quantum yields at higher wavelengths assumed to decline \n! expodentially with wavelength at a rate that gives a photolysis rate \n! relative to NO2 consistent with the data of Klotz et al (2000). \n! \nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n289.0 3.800E-20 0.3250\n290.0 3.734E-20 0.3260\n291.0 3.643E-20 0.3270\n292.0 3.654E-20 0.3290\n293.0 3.681E-20 0.3300\n294.0 3.729E-20 0.3310\n295.0 3.809E-20 0.3330\n296.0 3.824E-20 0.3340\n297.0 3.922E-20 0.3350\n298.0 4.073E-20 0.3370\n299.0 4.123E-20 0.3380\n300.0 4.045E-20 0.3390\n301.0 3.905E-20 0.3410\n302.0 3.779E-20 0.3420\n303.0 3.567E-20 0.3430\n304.0 3.350E-20 0.3450\n305.0 3.242E-20 0.3460\n306.0 3.223E-20 0.3470\n307.0 3.200E-20 0.3490\n308.0 3.146E-20 0.3500\n309.0 3.123E-20 0.3590\n310.0 3.100E-20 0.3690\n311.0 3.222E-20 0.3780\n312.0 3.343E-20 0.3870\n313.0 3.390E-20 0.3970\n314.0 3.233E-20 0.4060\n315.0 2.805E-20 0.4150\n316.0 2.646E-20 0.4240\n317.0 2.460E-20 0.4340\n318.0 2.214E-20 0.4430\n319.0 1.927E-20 0.4520\n320.0 1.854E-20 0.4620\n321.0 1.885E-20 0.4710\n322.0 1.766E-20 0.4800\n323.0 1.723E-20 0.4900\n324.0 1.677E-20 0.4990\n325.0 1.603E-20 0.5080\n326.0 1.606E-20 0.5170\n327.0 1.695E-20 0.5270\n328.0 1.937E-20 0.5360\n329.0 1.857E-20 0.5450\n330.0 1.689E-20 0.5550\n331.0 1.128E-20 0.5640\n332.0 1.048E-20 0.5730\n333.0 9.660E-21 0.5830\n334.0 9.190E-21 0.5920\n335.0 7.370E-21 0.6010\n336.0 6.300E-21 0.6110\n337.0 5.890E-21 0.6200\n338.0 6.470E-21 0.6290\n339.0 5.850E-21 0.6380\n340.0 5.530E-21 0.6480\n341.0 5.630E-21 0.6570\n342.0 5.100E-21 0.6660\n343.0 4.990E-21 0.6760\n344.0 6.490E-21 0.6850\n345.0 6.240E-21 0.6940\n346.0 7.330E-21 0.7040\n347.0 6.310E-21 0.7130\n348.0 6.040E-21 0.7220\n349.0 4.150E-21 0.7310\n350.0 3.910E-21 0.7410\n351.0 3.950E-21 0.7500\n352.0 4.230E-21 0.7150\n353.0 4.150E-21 0.6810\n354.0 4.030E-21 0.6490\n355.0 4.220E-21 0.6190\n356.0 4.430E-21 0.5890\n357.0 4.310E-21 0.5620\n358.0 4.710E-21 0.5350\n359.0 5.030E-21 0.5100\n360.0 5.460E-21 0.4860\n361.0 6.270E-21 0.4630\n362.0 7.060E-21 0.4420\n363.0 6.390E-21 0.4210\n364.0 6.800E-21 0.4010\n365.0 6.650E-21 0.3820\n366.0 7.430E-21 0.3640\n367.0 8.600E-21 0.3470\n368.0 1.012E-20 0.3310\n369.0 1.063E-20 0.3150\n370.0 1.139E-20 0.3000\n371.0 1.185E-20 0.2860\n372.0 1.141E-20 0.2730\n373.0 1.212E-20 0.2600\n374.0 1.352E-20 0.2480\n375.0 1.332E-20 0.2360\n376.0 1.377E-20 0.2250\n377.0 1.467E-20 0.2140\n378.0 1.605E-20 0.2040\n379.0 1.534E-20 0.1950\n380.0 1.934E-20 0.1860\n381.0 2.455E-20 0.1770\n382.0 2.019E-20 0.1690\n383.0 2.069E-20 0.1610\n384.0 1.939E-20 0.1530\n385.0 1.893E-20 0.1460\n386.0 1.835E-20 0.1390\n387.0 2.287E-20 0.1320\n388.0 3.000E-20 0.1260\n389.0 3.206E-20 0.1200\n390.0 3.483E-20 0.1150\n391.0 3.922E-20 0.1090\n392.0 3.801E-20 0.1040\n393.0 2.852E-20 0.0990\n394.0 3.147E-20 0.0950\n395.0 3.855E-20 0.0900\n396.0 3.679E-20 0.0860\n397.0 3.361E-20 0.0820\n398.0 4.323E-20 0.0780\n399.0 4.345E-20 0.0740\n400.0 3.873E-20 0.0710\n401.0 4.455E-20 0.0670\n402.0 5.843E-20 0.0640\n403.0 7.159E-20 0.0610\n404.0 6.237E-20 0.0580\n405.0 4.491E-20 0.0560\n406.0 4.482E-20 0.0530\n407.0 4.066E-20 0.0510\n408.0 3.444E-20 0.0480\n409.0 4.008E-20 0.0460\n410.0 5.661E-20 0.0440\n411.0 7.221E-20 0.0420\n412.0 7.406E-20 0.0400\n413.0 1.075E-19 0.0380\n414.0 1.012E-19 0.0360\n415.0 1.019E-19 0.0340\n416.0 6.073E-20 0.0330\n417.0 6.829E-20 0.0310\n418.0 7.873E-20 0.0300\n419.0 9.134E-20 0.0280\n420.0 5.602E-20 0.0270\n421.0 7.188E-20 0.0260\n422.0 6.990E-20 0.0250\n423.0 1.305E-19 0.0230\n424.0 8.239E-20 0.0220\n425.0 1.045E-19 0.0210\n426.0 1.641E-19 0.0200\n427.0 1.610E-19 0.0190\n428.0 2.142E-19 0.0180\n429.0 6.499E-20 0.0180\n430.0 7.027E-20 0.0170\n431.0 6.518E-20 0.0160\n432.0 6.082E-20 0.0150\n433.0 5.657E-20 0.0140\n434.0 6.809E-20 0.0140\n435.0 7.660E-20 0.0130\n436.0 1.319E-19 0.0130\n437.0 9.185E-20 0.0120\n438.0 1.382E-19 0.0110\n439.0 1.214E-19 0.0110\n440.0 2.594E-19 0.0100\n441.0 1.312E-19 0.0100\n442.0 9.013E-20 0.0090\n443.0 1.112E-19 0.0090\n444.0 1.346E-19 0.0090\n445.0 1.511E-19 0.0080\n446.0 7.818E-20 0.0080\n447.0 3.730E-20 0.0070\n448.0 4.144E-20 0.0070\n449.0 5.527E-20 0.0070\n450.0 8.682E-20 0.0060\n451.0 1.382E-19 0.0060\n452.0 1.595E-19 0.0060\n453.0 3.037E-19 0.0060\n454.0 2.690E-19 0.0050\n455.0 5.199E-19 0.0050\n456.0 1.567E-19 0.0050\n457.0 2.661E-20 0.0050\n458.0 2.201E-20 0.0040\n459.0 9.020E-21 0.0040\n460.0 1.202E-20 0.0040\n461.0 8.830E-21 0.0040\n462.0 5.880E-21 0.0040\n463.0 3.220E-21 0.0000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/GLY_1H_MCMv32", "content": "GLY_1H_MCMv32\n!Glyoxal (CHOCHO) channel quantum yields (1 bar, 298 K) \n!Rate sums quantum yields of phi2 and phi5 channels\n!CHOCHO--->2HCO\n!CHOCHO--->2H+2CHO\n!http://iupac.pole-ether.fr/htdocs/datasheets/pdf/P4_(CHO)2+hv.pdf\n!Dated: May 2013\n! \n!phi1 = H2 + 2CO\n!phi2 = HCO + HCO\n!phi3 = HCHO + CO\n!phi4 = HCO+CO+H\n!phi5 = 2H+2CO\n!phi6 = TOTAL\n!\n! \n!wvl XCROSS HCO+CO+H 2H+2CO H2+2CO 2HCO HCHO+CO Total \nPoints (the mechanism evaluated with this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n250.0 1.73E-20 0.3888 0.2527 0.0000 0.0034 0.3550 0.9999\t \n251.0 1.52E-20 0.3887 0.2505 0.0000 0.0037 0.3570 0.9999\t \n252.0 1.48E-20 0.3887 0.2483 0.0000 0.0039 0.3591 0.9999\t \n253.0 1.55E-20 0.3886 0.2459 0.0000 0.0042 0.3613 0.9999\t \n254.0 1.60E-20 0.3884 0.2433 0.0000 0.0045 0.3637 0.9998\t \n255.0 1.67E-20 0.3883 0.2405 0.0000 0.0049 0.3662 0.9998\t \n256.0 1.62E-20 0.3882 0.2376 0.0000 0.0052 0.3689 0.9998\t \n257.0 1.81E-20 0.3881 0.2345 0.0000 0.0056 0.3717 0.9998\t \n258.0 1.82E-20 0.3879 0.2313 0.0000 0.0060 0.3747 0.9997\t \n259.0 1.85E-20 0.3878 0.2278 0.0000 0.0065 0.3779 0.9997\t \n260.0 1.83E-20 0.3876 0.2242 0.0000 0.0069 0.3812 0.9997\t \n261.0 1.96E-20 0.3874 0.2204 0.0000 0.0074 0.3847 0.9996\t \n262.0 2.03E-20 0.3872 0.2164 0.0000 0.0080 0.3883 0.9996\t \n263.0 2.14E-20 0.3870 0.2122 0.0000 0.0086 0.3921 0.9995\t \n264.0 2.18E-20 0.3868 0.2078 0.0000 0.0092 0.3961 0.9995\t \n265.0 2.26E-20 0.3865 0.2032 0.0000 0.0099 0.4002 0.9994\t \n266.0 2.33E-20 0.3863 0.1985 0.0000 0.0106 0.4045 0.9994\t \n267.0 2.37E-20 0.3860 0.1936 0.0000 0.0113 0.4089 0.9993\t \n268.0 2.36E-20 0.3857 0.1885 0.0000 0.0122 0.4134 0.9992\t \n269.0 2.48E-20 0.3854 0.1833 0.0000 0.0130 0.4180 0.9991\t \n270.0 2.51E-20 0.3850 0.1780 0.0000 0.0140 0.4227 0.9990\t \n271.0 2.61E-20 0.3847 0.1725 0.0000 0.0150 0.4275 0.9989\t \n272.0 2.72E-20 0.3843 0.1669 0.0000 0.0161 0.4324 0.9988\t \n273.0 2.81E-20 0.3838 0.1613 0.0000 0.0172 0.4373 0.9986\t \n274.0 2.92E-20 0.3834 0.1555 0.0000 0.0185 0.4422 0.9985\t \n275.0 3.00E-20 0.3829 0.1497 0.0000 0.0198 0.4471 0.9983\t \n276.0 3.06E-20 0.3823 0.1439 0.0000 0.0212 0.4520 0.9981\t \n277.0 3.09E-20 0.3818 0.1381 0.0000 0.0227 0.4568 0.9979\t \n278.0 3.08E-20 0.3812 0.1322 0.0000 0.0244 0.4615 0.9977\t \n279.0 3.09E-20 0.3805 0.1264 0.0000 0.0261 0.4662 0.9975\t \n280.0 3.14E-20 0.3798 0.1206 0.0000 0.0280 0.4707 0.9972\t \n281.0 3.22E-20 0.3790 0.1149 0.0000 0.0300 0.4751 0.9969\t \n282.0 3.32E-20 0.3782 0.1093 0.0000 0.0321 0.4792 0.9966\t \n283.0 3.46E-20 0.3774 0.1038 0.0000 0.0344 0.4832 0.9962\t \n284.0 3.57E-20 0.3764 0.0984 0.0000 0.0368 0.4870 0.9958\t \n285.0 3.67E-20 0.3754 0.0931 0.0000 0.0394 0.4905 0.9954\t \n286.0 3.80E-20 0.3744 0.0880 0.0000 0.0421 0.4938 0.9950\t \n287.0 3.79E-20 0.3732 0.0830 0.0000 0.0451 0.4968 0.9945\t \n288.0 3.81E-20 0.3720 0.0782 0.0000 0.0482 0.4995 0.9939\t \n289.0 3.80E-20 0.3707 0.0736 0.0000 0.0515 0.5019 0.9934\t \n290.0 3.73E-20 0.3693 0.0692 0.0000 0.0551 0.5040 0.9927\t \n291.0 3.64E-20 0.3678 0.0649 0.0000 0.0589 0.5057 0.9920\t \n292.0 3.65E-20 0.3663 0.0608 0.0000 0.0629 0.5071 0.9913\t \n293.0 3.68E-20 0.3646 0.0569 0.0000 0.0672 0.5081 0.9905\t \n294.0 3.73E-20 0.3628 0.0532 0.0000 0.0717 0.5088 0.9896\t \n295.0 3.81E-20 0.3608 0.0497 0.0000 0.0765 0.5091 0.9887\t \n296.0 3.82E-20 0.3588 0.0463 0.0000 0.0816 0.5090 0.9876\t \n297.0 3.92E-20 0.3566 0.0432 0.0000 0.0870 0.5086 0.9866\t \n298.0 4.07E-20 0.3543 0.0402 0.0000 0.0928 0.5078 0.9854\t \n299.0 4.12E-20 0.3518 0.0374 0.0000 0.0988 0.5066 0.9841\t \n300.0 4.05E-20 0.3492 0.0347 0.0000 0.1052 0.5050 0.9827\t \n301.0 3.91E-20 0.3465 0.0322 0.0000 0.1120 0.5030 0.9813\t \n302.0 3.78E-20 0.3435 0.0299 0.0000 0.1191 0.5006 0.9797\t \n303.0 3.57E-20 0.3404 0.0277 0.0000 0.1265 0.4979 0.9780\t \n304.0 3.35E-20 0.3372 0.0257 0.0000 0.1344 0.4947 0.9762\t \n305.0 3.24E-20 0.3337 0.0238 0.0000 0.1427 0.4912 0.9743\t \n306.0 3.22E-20 0.3301 0.0220 0.0000 0.1513 0.4874 0.9722\t \n307.0 3.20E-20 0.3262 0.0203 0.0000 0.1604 0.4831 0.9700\t \n308.0 3.15E-20 0.3222 0.0188 0.0000 0.1698 0.4785 0.9677\t \n309.0 3.12E-20 0.3180 0.0174 0.0000 0.1797 0.4736 0.9652\t \n310.0 3.10E-20 0.3135 0.0160 0.0000 0.1899 0.4683 0.9626\t \n311.0 3.22E-20 0.3089 0.0148 0.0000 0.2006 0.4627 0.9598\t \n312.0 3.34E-20 0.3040 0.0136 0.0000 0.2117 0.4568 0.9568\t \n313.0 3.39E-20 0.2989 0.0126 0.0000 0.2231 0.4505 0.9536\t \n314.0 3.23E-20 0.2936 0.0116 0.0000 0.2349 0.4441 0.9502\t \n315.0 2.81E-20 0.2881 0.0106 0.0000 0.2471 0.4373 0.9467\t \n316.0 2.65E-20 0.2824 0.0098 0.0000 0.2595 0.4303 0.9429\t \n317.0 2.46E-20 0.2765 0.0090 0.0000 0.2723 0.4232 0.9389\t \n318.0 2.21E-20 0.2704 0.0083 0.0000 0.2854 0.4158 0.9347\t \n319.0 1.93E-20 0.2641 0.0076 0.0000 0.2987 0.4083 0.9303\t \n320.0 1.85E-20 0.2576 0.0070 0.0000 0.3123 0.4007 0.9257\t \n321.0 1.89E-20 0.2509 0.0064 0.0000 0.3260 0.3930 0.9207\t \n322.0 1.77E-20 0.2441 0.0059 0.0000 0.3398 0.3852 0.9156\t \n323.0 1.72E-20 0.2372 0.0054 0.0000 0.3537 0.3774 0.9101\t \n324.0 1.68E-20 0.2300 0.0050 0.0000 0.3676 0.3696 0.9044\t \n325.0 1.60E-20 0.2228 0.0045 0.0000 0.3815 0.3619 0.8984\t \n326.0 1.61E-20 0.2155 0.0042 0.0000 0.3953 0.3543 0.8921\t \n327.0 1.70E-20 0.2081 0.0038 0.0000 0.4090 0.3469 0.8854\t \n328.0 1.94E-20 0.2006 0.0035 0.0000 0.4225 0.3396 0.8785\t \n329.0 1.86E-20 0.1931 0.0032 0.0000 0.4357 0.3325 0.8712\t \n330.0 1.69E-20 0.1855 0.0029 0.0000 0.4486 0.3256 0.8636\t \n331.0 1.13E-20 0.1780 0.0027 0.0000 0.4611 0.3191 0.8556\t \n332.0 1.05E-20 0.1705 0.0024 0.0000 0.4731 0.3128 0.8473\t \n333.0 9.66E-21 0.1630 0.0022 0.0000 0.4847 0.3069 0.8385\t \n334.0 9.19E-21 0.1555 0.0020 0.0000 0.4957 0.3013 0.8294\t \n335.0 7.37E-21 0.1482 0.0019 0.0000 0.5060 0.2961 0.8198\t \n336.0 6.30E-21 0.1409 0.0017 0.0000 0.5157 0.2913 0.8099\t \n337.0 5.89E-21 0.1338 0.0015 0.0000 0.5248 0.2869 0.7995\t \n338.0 6.47E-21 0.1268 0.0014 0.0000 0.5330 0.2829 0.7886\t \n339.0 5.85E-21 0.1200 0.0013 0.0000 0.5405 0.2794 0.7773\t \n340.0 5.53E-21 0.1133 0.0012 0.0000 0.5471 0.2762 0.7656\t \n341.0 5.63E-21 0.1069 0.0011 0.0000 0.5529 0.2735 0.7534\t \n342.0 5.10E-21 0.1006 0.0010 0.0000 0.5578 0.2711 0.7407\t \n343.0 4.99E-21 0.0945 0.0009 0.0000 0.5619 0.2692 0.7276\t \n344.0 6.49E-21 0.0886 0.0008 0.0000 0.5650 0.2676 0.7140\t \n345.0 6.24E-21 0.0830 0.0007 0.0000 0.5672 0.2663 0.6999\t \n346.0 7.33E-21 0.0776 0.0007 0.0000 0.5686 0.2654 0.6854\t \n347.0 6.31E-21 0.0724 0.0006 0.0000 0.5690 0.2647 0.6705\t \n348.0 6.04E-21 0.0675 0.0005 0.0000 0.5686 0.2643 0.6551\t \n349.0 4.15E-21 0.0628 0.0005 0.0000 0.5672 0.2641 0.6393\t \n350.0 3.91E-21 0.0583 0.0004 0.0000 0.5651 0.2640 0.6232\t \n351.0 3.95E-21 0.0541 0.0004 0.0000 0.5621 0.2641 0.6067\t \n352.0 4.23E-21 0.0501 0.0004 0.0000 0.5583 0.2643 0.5898\t \n353.0 4.15E-21 0.0463 0.0003 0.0000 0.5537 0.2646 0.5727\t \n354.0 4.03E-21 0.0427 0.0003 0.0000 0.5485 0.2649 0.5553\t \n355.0 4.22E-21 0.0394 0.0003 0.0000 0.5425 0.2652 0.5377\t \n356.0 4.43E-21 0.0363 0.0002 0.0000 0.5359 0.2654 0.5199\t \n357.0 4.31E-21 0.0333 0.0002 0.0000 0.5286 0.2655 0.5020\t \n358.0 4.71E-21 0.0306 0.0002 0.0000 0.5208 0.2656 0.4840\t \n359.0 5.03E-21 0.0281 0.0002 0.0000 0.5125 0.2655 0.4660\t \n360.0 5.46E-21 0.0257 0.0002 0.0000 0.5037 0.2652 0.4480\t \n361.0 6.27E-21 0.0235 0.0001 0.0000 0.4945 0.2647 0.4301\t \n362.0 7.06E-21 0.0215 0.0001 0.0000 0.4849 0.2640 0.4122\t \n363.0 6.39E-21 0.0196 0.0001 0.0000 0.4749 0.2631 0.3945\t \n364.0 6.80E-21 0.0179 0.0001 0.0000 0.4647 0.2620 0.3770\t \n365.0 6.65E-21 0.0163 0.0001 0.0000 0.4542 0.2606 0.3598\t \n366.0 7.43E-21 0.0148 0.0001 0.0000 0.4435 0.2589 0.3428\t \n367.0 8.60E-21 0.0135 0.0001 0.0000 0.4326 0.2570 0.3262\t \n368.0 1.01E-20 0.0122 0.0001 0.0000 0.4216 0.2548 0.3100\t \n369.0 1.06E-20 0.0111 0.0001 0.0000 0.4105 0.2524 0.2941\t \n370.0 1.14E-20 0.0100 0.0000 0.0000 0.3994 0.2497 0.2787\t \n371.0 1.19E-20 0.0091 0.0000 0.0000 0.3882 0.2467 0.2637\t \n372.0 1.14E-20 0.0082 0.0000 0.0000 0.3770 0.2436 0.2492\t \n373.0 1.21E-20 0.0074 0.0000 0.0000 0.3659 0.2401 0.2351\t \n374.0 1.35E-20 0.0067 0.0000 0.0000 0.3549 0.2365 0.2216\t \n375.0 1.33E-20 0.0061 0.0000 0.0000 0.3439 0.2327 0.2086\t \n376.0 1.38E-20 0.0055 0.0000 0.0000 0.3330 0.2287 0.1962\t \n377.0 1.47E-20 0.0049 0.0000 0.0000 0.3223 0.2246 0.1842\t \n378.0 1.61E-20 0.0044 0.0000 0.0000 0.3117 0.2203 0.1728\t \n379.0 1.53E-20 0.0040 0.0000 0.0000 0.3014 0.2158 0.1619\t \n380.0 1.93E-20 0.0036 0.0000 0.0000 0.2911 0.2112 0.1516\t \n381.0 2.46E-20 0.0032 0.0000 0.0000 0.2811 0.2066 0.1417\t \n382.0 2.02E-20 0.0029 0.0000 0.0000 0.2713 0.2018 0.1324\t \n383.0 2.07E-20 0.0026 0.0000 0.0000 0.2617 0.1970 0.1235\t \n384.0 1.94E-20 0.0023 0.0000 0.0000 0.2523 0.1921 0.1152\t \n385.0 1.89E-20 0.0021 0.0000 0.0000 0.2431 0.1872 0.1073\t \n386.0 1.84E-20 0.0019 0.0000 0.0000 0.2342 0.1823 0.0998\t \n387.0 2.29E-20 0.0017 0.0000 0.0000 0.2255 0.1773 0.0928\t \n388.0 3.00E-20 0.0015 0.0000 0.0000 0.2170 0.1723 0.0862\t \n389.0 3.21E-20 0.0014 0.0000 0.0000 0.2087 0.1674 0.0799\t \n390.0 3.48E-20 0.0012 0.0000 0.0000 0.2006 0.1624 0.0741\t \n391.0 3.92E-20 0.0011 0.0000 0.0000 0.1927 0.1574 0.0686\t \n392.0 3.80E-20 0.0010 0.0000 0.0000 0.1850 0.1525 0.0634\t \n393.0 2.85E-20 0.0009 0.0000 0.0000 0.1775 0.1475 0.0585\t \n394.0 3.15E-20 0.0008 0.0000 0.0000 0.1702 0.1426 0.0539\t \n395.0 3.86E-20 0.0007 0.0000 0.0000 0.1630 0.1377 0.0496\t \n396.0 3.68E-20 0.0006 0.0000 0.0000 0.1559 0.1327 0.0455\t \n397.0 3.36E-20 0.0005 0.0000 0.0000 0.1489 0.1277 0.0416\t \n398.0 4.32E-20 0.0005 0.0000 0.0000 0.1420 0.1227 0.0379\t \n399.0 4.35E-20 0.0004 0.0000 0.0000 0.1350 0.1176 0.0344\t \n400.0 3.87E-20 0.0004 0.0000 0.0000 0.1281 0.1124 0.0311\t \n401.0 4.46E-20 0.0003 0.0000 0.0000 0.1212 0.1071 0.0279\t \n402.0 5.84E-20 0.0003 0.0000 0.0000 0.1141 0.1017 0.0248\t \n403.0 7.16E-20 0.0003 0.0000 0.0000 0.1070 0.0961 0.0219\t \n404.0 6.24E-20 0.0002 0.0000 0.0000 0.0997 0.0902 0.0191\t \n405.0 4.49E-20 0.0002 0.0000 0.0000 0.0923 0.0842 0.0164\t \n406.0 4.48E-20 0.0002 0.0000 0.0000 0.0848 0.0780 0.0139\t \n407.0 4.07E-20 0.0001 0.0000 0.0000 0.0772 0.0715 0.0115\t \n408.0 3.44E-20 0.0001 0.0000 0.0000 0.0696 0.0650 0.0094\t \n409.0 4.01E-20 0.0001 0.0000 0.0000 0.0620 0.0583 0.0075\t \n410.0 5.66E-20 0.0001 0.0000 0.0000 0.0545 0.0517 0.0058\t \n411.0 7.22E-20 0.0001 0.0000 0.0000 0.0474 0.0453 0.0044\t \n412.0 7.41E-20 0.0001 0.0000 0.0000 0.0407 0.0391 0.0033\t \n413.0 1.08E-19 0.0000 0.0000 0.0000 0.0344 0.0333 0.0023\t \n414.0 1.01E-19 0.0000 0.0000 0.0000 0.0288 0.0280 0.0016\t \n415.0 1.02E-19 0.0000 0.0000 0.0000 0.0238 0.0233 0.0011\t \n416.0 6.07E-20 0.0000 0.0000 0.0000 0.0194 0.0191 0.0008\t \n417.0 6.83E-20 0.0000 0.0000 0.0000 0.0157 0.0155 0.0005\t \n418.0 7.87E-20 0.0000 0.0000 0.0000 0.0126 0.0125 0.0003\t \n419.0 9.13E-20 0.0000 0.0000 0.0000 0.0101 0.0100 0.0002\t \n420.0 5.60E-20 0.0000 0.0000 0.0000 0.0080 0.0079 0.0001\t \n421.0 7.19E-20 0.0000 0.0000 0.0000 0.0063 0.0062 0.0001\t \n422.0 6.99E-20 0.0000 0.0000 0.0000 0.0049 0.0049 0.0000\t \n423.0 1.30E-19 0.0000 0.0000 0.0000 0.0038 0.0038 0.0000\t \n424.0 8.24E-20 0.0000 0.0000 0.0000 0.0030 0.0030 0.0000\t \n425.0 1.04E-19 0.0000 0.0000 0.0000 0.0023 0.0023 0.0000\t \n426.0 1.64E-19 0.0000 0.0000 0.0000 0.0018 0.0018 0.0000\t \n427.0 1.61E-19 0.0000 0.0000 0.0000 0.0014 0.0014 0.0000\t \n428.0 2.14E-19 0.0000 0.0000 0.0000 0.0010 0.0010 0.0000\t \n429.0 6.50E-20 0.0000 0.0000 0.0000 0.0008 0.0008 0.0000\t \n430.0 7.03E-20 0.0000 0.0000 0.0000 0.0006 0.0006 0.0000\t \n431.0 6.52E-20 0.0000 0.0000 0.0000 0.0005 0.0005 0.0000\t \n432.0 6.08E-20 0.0000 0.0000 0.0000 0.0003 0.0003 0.0000\t \n433.0 5.66E-20 0.0000 0.0000 0.0000 0.0003 0.0003 0.0000\t \n434.0 6.81E-20 0.0000 0.0000 0.0000 0.0002 0.0002 0.0000\t \n435.0 7.66E-20 0.0000 0.0000 0.0000 0.0001 0.0001 0.0000\t \n436.0 1.32E-19 0.0000 0.0000 0.0000 0.0001 0.0001 0.0000\t \n437.0 9.19E-20 0.0000 0.0000 0.0000 0.0001 0.0001 0.0000\t \n438.0 1.38E-19 0.0000 0.0000 0.0000 0.0001 0.0001 0.0000\t \n439.0 1.21E-19 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n440.0 2.59E-19 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n441.0 1.31E-19 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n442.0 9.01E-20 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n443.0 1.11E-19 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n444.0 1.35E-19 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n445.0 1.51E-19 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n446.0 7.82E-20 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n447.0 3.73E-20 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n448.0 4.14E-20 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n449.0 5.53E-20 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n450.0 8.68E-20 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n451.0 1.38E-19 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n452.0 1.59E-19 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n453.0 3.04E-19 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n454.0 2.69E-19 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n455.0 5.20E-19 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n456.0 1.57E-19 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n457.0 2.66E-20 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n458.0 2.20E-20 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n459.0 9.02E-21 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n460.0 1.20E-20 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n461.0 8.83E-21 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n462.0 5.88E-21 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n463.0 3.22E-21 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n464.0 3.39E-21 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n465.0 3.30E-21 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n466.0 4.16E-21 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n467.0 5.22E-21 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n468.0 1.49E-21 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n469.0 9.10E-22 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n470.0 7.60E-22 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n471.0 8.60E-22 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n472.0 9.20E-22 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n473.0 1.10E-21 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/GLY_2H_MCMv32", "content": "GLY_2H_MCMv32\n!Glyoxal (CHOCHO) channel quantum yields (1 bar, 298 K) \n!Rate sums quantum yields of phi2 and phi5 channels\n!CHOCHO--->2HCO\n!CHOCHO--->2H+2CHO\n!http://iupac.pole-ether.fr/htdocs/datasheets/pdf/P4_(CHO)2+hv.pdf\n!Dated: May 2013\n! \n!phi1 = H2 + 2CO\n!phi2 = HCO + HCO\n!phi3 = HCHO + CO\n!phi4 = HCO+CO+H\n!phi5 = 2H+2CO\n!phi6 = TOTAL\n!\n! \n!wvl XCROSS 2H+2CO H2+2CO 2HCO HCHO+CO HCO+CO+H Total \nPoints (the mechanism evaluated with this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n250.0 1.73E-20 0.2527 0.0000 0.0034 0.3550 0.3888 0.9999\t \n251.0 1.52E-20 0.2505 0.0000 0.0037 0.3570 0.3887 0.9999\t \n252.0 1.48E-20 0.2483 0.0000 0.0039 0.3591 0.3887 0.9999\t \n253.0 1.55E-20 0.2459 0.0000 0.0042 0.3613 0.3886 0.9999\t \n254.0 1.60E-20 0.2433 0.0000 0.0045 0.3637 0.3884 0.9998\t \n255.0 1.67E-20 0.2405 0.0000 0.0049 0.3662 0.3883 0.9998\t \n256.0 1.62E-20 0.2376 0.0000 0.0052 0.3689 0.3882 0.9998\t \n257.0 1.81E-20 0.2345 0.0000 0.0056 0.3717 0.3881 0.9998\t \n258.0 1.82E-20 0.2313 0.0000 0.0060 0.3747 0.3879 0.9997\t \n259.0 1.85E-20 0.2278 0.0000 0.0065 0.3779 0.3878 0.9997\t \n260.0 1.83E-20 0.2242 0.0000 0.0069 0.3812 0.3876 0.9997\t \n261.0 1.96E-20 0.2204 0.0000 0.0074 0.3847 0.3874 0.9996\t \n262.0 2.03E-20 0.2164 0.0000 0.0080 0.3883 0.3872 0.9996\t \n263.0 2.14E-20 0.2122 0.0000 0.0086 0.3921 0.3870 0.9995\t \n264.0 2.18E-20 0.2078 0.0000 0.0092 0.3961 0.3868 0.9995\t \n265.0 2.26E-20 0.2032 0.0000 0.0099 0.4002 0.3865 0.9994\t \n266.0 2.33E-20 0.1985 0.0000 0.0106 0.4045 0.3863 0.9994\t \n267.0 2.37E-20 0.1936 0.0000 0.0113 0.4089 0.3860 0.9993\t \n268.0 2.36E-20 0.1885 0.0000 0.0122 0.4134 0.3857 0.9992\t \n269.0 2.48E-20 0.1833 0.0000 0.0130 0.4180 0.3854 0.9991\t \n270.0 2.51E-20 0.1780 0.0000 0.0140 0.4227 0.3850 0.9990\t \n271.0 2.61E-20 0.1725 0.0000 0.0150 0.4275 0.3847 0.9989\t \n272.0 2.72E-20 0.1669 0.0000 0.0161 0.4324 0.3843 0.9988\t \n273.0 2.81E-20 0.1613 0.0000 0.0172 0.4373 0.3838 0.9986\t \n274.0 2.92E-20 0.1555 0.0000 0.0185 0.4422 0.3834 0.9985\t \n275.0 3.00E-20 0.1497 0.0000 0.0198 0.4471 0.3829 0.9983\t \n276.0 3.06E-20 0.1439 0.0000 0.0212 0.4520 0.3823 0.9981\t \n277.0 3.09E-20 0.1381 0.0000 0.0227 0.4568 0.3818 0.9979\t \n278.0 3.08E-20 0.1322 0.0000 0.0244 0.4615 0.3812 0.9977\t \n279.0 3.09E-20 0.1264 0.0000 0.0261 0.4662 0.3805 0.9975\t \n280.0 3.14E-20 0.1206 0.0000 0.0280 0.4707 0.3798 0.9972\t \n281.0 3.22E-20 0.1149 0.0000 0.0300 0.4751 0.3790 0.9969\t \n282.0 3.32E-20 0.1093 0.0000 0.0321 0.4792 0.3782 0.9966\t \n283.0 3.46E-20 0.1038 0.0000 0.0344 0.4832 0.3774 0.9962\t \n284.0 3.57E-20 0.0984 0.0000 0.0368 0.4870 0.3764 0.9958\t \n285.0 3.67E-20 0.0931 0.0000 0.0394 0.4905 0.3754 0.9954\t \n286.0 3.80E-20 0.0880 0.0000 0.0421 0.4938 0.3744 0.9950\t \n287.0 3.79E-20 0.0830 0.0000 0.0451 0.4968 0.3732 0.9945\t \n288.0 3.81E-20 0.0782 0.0000 0.0482 0.4995 0.3720 0.9939\t \n289.0 3.80E-20 0.0736 0.0000 0.0515 0.5019 0.3707 0.9934\t \n290.0 3.73E-20 0.0692 0.0000 0.0551 0.5040 0.3693 0.9927\t \n291.0 3.64E-20 0.0649 0.0000 0.0589 0.5057 0.3678 0.9920\t \n292.0 3.65E-20 0.0608 0.0000 0.0629 0.5071 0.3663 0.9913\t \n293.0 3.68E-20 0.0569 0.0000 0.0672 0.5081 0.3646 0.9905\t \n294.0 3.73E-20 0.0532 0.0000 0.0717 0.5088 0.3628 0.9896\t \n295.0 3.81E-20 0.0497 0.0000 0.0765 0.5091 0.3608 0.9887\t \n296.0 3.82E-20 0.0463 0.0000 0.0816 0.5090 0.3588 0.9876\t \n297.0 3.92E-20 0.0432 0.0000 0.0870 0.5086 0.3566 0.9866\t \n298.0 4.07E-20 0.0402 0.0000 0.0928 0.5078 0.3543 0.9854\t \n299.0 4.12E-20 0.0374 0.0000 0.0988 0.5066 0.3518 0.9841\t \n300.0 4.05E-20 0.0347 0.0000 0.1052 0.5050 0.3492 0.9827\t \n301.0 3.91E-20 0.0322 0.0000 0.1120 0.5030 0.3465 0.9813\t \n302.0 3.78E-20 0.0299 0.0000 0.1191 0.5006 0.3435 0.9797\t \n303.0 3.57E-20 0.0277 0.0000 0.1265 0.4979 0.3404 0.9780\t \n304.0 3.35E-20 0.0257 0.0000 0.1344 0.4947 0.3372 0.9762\t \n305.0 3.24E-20 0.0238 0.0000 0.1427 0.4912 0.3337 0.9743\t \n306.0 3.22E-20 0.0220 0.0000 0.1513 0.4874 0.3301 0.9722\t \n307.0 3.20E-20 0.0203 0.0000 0.1604 0.4831 0.3262 0.9700\t \n308.0 3.15E-20 0.0188 0.0000 0.1698 0.4785 0.3222 0.9677\t \n309.0 3.12E-20 0.0174 0.0000 0.1797 0.4736 0.3180 0.9652\t \n310.0 3.10E-20 0.0160 0.0000 0.1899 0.4683 0.3135 0.9626\t \n311.0 3.22E-20 0.0148 0.0000 0.2006 0.4627 0.3089 0.9598\t \n312.0 3.34E-20 0.0136 0.0000 0.2117 0.4568 0.3040 0.9568\t \n313.0 3.39E-20 0.0126 0.0000 0.2231 0.4505 0.2989 0.9536\t \n314.0 3.23E-20 0.0116 0.0000 0.2349 0.4441 0.2936 0.9502\t \n315.0 2.81E-20 0.0106 0.0000 0.2471 0.4373 0.2881 0.9467\t \n316.0 2.65E-20 0.0098 0.0000 0.2595 0.4303 0.2824 0.9429\t \n317.0 2.46E-20 0.0090 0.0000 0.2723 0.4232 0.2765 0.9389\t \n318.0 2.21E-20 0.0083 0.0000 0.2854 0.4158 0.2704 0.9347\t \n319.0 1.93E-20 0.0076 0.0000 0.2987 0.4083 0.2641 0.9303\t \n320.0 1.85E-20 0.0070 0.0000 0.3123 0.4007 0.2576 0.9257\t \n321.0 1.89E-20 0.0064 0.0000 0.3260 0.3930 0.2509 0.9207\t \n322.0 1.77E-20 0.0059 0.0000 0.3398 0.3852 0.2441 0.9156\t \n323.0 1.72E-20 0.0054 0.0000 0.3537 0.3774 0.2372 0.9101\t \n324.0 1.68E-20 0.0050 0.0000 0.3676 0.3696 0.2300 0.9044\t \n325.0 1.60E-20 0.0045 0.0000 0.3815 0.3619 0.2228 0.8984\t \n326.0 1.61E-20 0.0042 0.0000 0.3953 0.3543 0.2155 0.8921\t \n327.0 1.70E-20 0.0038 0.0000 0.4090 0.3469 0.2081 0.8854\t \n328.0 1.94E-20 0.0035 0.0000 0.4225 0.3396 0.2006 0.8785\t \n329.0 1.86E-20 0.0032 0.0000 0.4357 0.3325 0.1931 0.8712\t \n330.0 1.69E-20 0.0029 0.0000 0.4486 0.3256 0.1855 0.8636\t \n331.0 1.13E-20 0.0027 0.0000 0.4611 0.3191 0.1780 0.8556\t \n332.0 1.05E-20 0.0024 0.0000 0.4731 0.3128 0.1705 0.8473\t \n333.0 9.66E-21 0.0022 0.0000 0.4847 0.3069 0.1630 0.8385\t \n334.0 9.19E-21 0.0020 0.0000 0.4957 0.3013 0.1555 0.8294\t \n335.0 7.37E-21 0.0019 0.0000 0.5060 0.2961 0.1482 0.8198\t \n336.0 6.30E-21 0.0017 0.0000 0.5157 0.2913 0.1409 0.8099\t \n337.0 5.89E-21 0.0015 0.0000 0.5248 0.2869 0.1338 0.7995\t \n338.0 6.47E-21 0.0014 0.0000 0.5330 0.2829 0.1268 0.7886\t \n339.0 5.85E-21 0.0013 0.0000 0.5405 0.2794 0.1200 0.7773\t \n340.0 5.53E-21 0.0012 0.0000 0.5471 0.2762 0.1133 0.7656\t \n341.0 5.63E-21 0.0011 0.0000 0.5529 0.2735 0.1069 0.7534\t \n342.0 5.10E-21 0.0010 0.0000 0.5578 0.2711 0.1006 0.7407\t \n343.0 4.99E-21 0.0009 0.0000 0.5619 0.2692 0.0945 0.7276\t \n344.0 6.49E-21 0.0008 0.0000 0.5650 0.2676 0.0886 0.7140\t \n345.0 6.24E-21 0.0007 0.0000 0.5672 0.2663 0.0830 0.6999\t \n346.0 7.33E-21 0.0007 0.0000 0.5686 0.2654 0.0776 0.6854\t \n347.0 6.31E-21 0.0006 0.0000 0.5690 0.2647 0.0724 0.6705\t \n348.0 6.04E-21 0.0005 0.0000 0.5686 0.2643 0.0675 0.6551\t \n349.0 4.15E-21 0.0005 0.0000 0.5672 0.2641 0.0628 0.6393\t \n350.0 3.91E-21 0.0004 0.0000 0.5651 0.2640 0.0583 0.6232\t \n351.0 3.95E-21 0.0004 0.0000 0.5621 0.2641 0.0541 0.6067\t \n352.0 4.23E-21 0.0004 0.0000 0.5583 0.2643 0.0501 0.5898\t \n353.0 4.15E-21 0.0003 0.0000 0.5537 0.2646 0.0463 0.5727\t \n354.0 4.03E-21 0.0003 0.0000 0.5485 0.2649 0.0427 0.5553\t \n355.0 4.22E-21 0.0003 0.0000 0.5425 0.2652 0.0394 0.5377\t \n356.0 4.43E-21 0.0002 0.0000 0.5359 0.2654 0.0363 0.5199\t \n357.0 4.31E-21 0.0002 0.0000 0.5286 0.2655 0.0333 0.5020\t \n358.0 4.71E-21 0.0002 0.0000 0.5208 0.2656 0.0306 0.4840\t \n359.0 5.03E-21 0.0002 0.0000 0.5125 0.2655 0.0281 0.4660\t \n360.0 5.46E-21 0.0002 0.0000 0.5037 0.2652 0.0257 0.4480\t \n361.0 6.27E-21 0.0001 0.0000 0.4945 0.2647 0.0235 0.4301\t \n362.0 7.06E-21 0.0001 0.0000 0.4849 0.2640 0.0215 0.4122\t \n363.0 6.39E-21 0.0001 0.0000 0.4749 0.2631 0.0196 0.3945\t \n364.0 6.80E-21 0.0001 0.0000 0.4647 0.2620 0.0179 0.3770\t \n365.0 6.65E-21 0.0001 0.0000 0.4542 0.2606 0.0163 0.3598\t \n366.0 7.43E-21 0.0001 0.0000 0.4435 0.2589 0.0148 0.3428\t \n367.0 8.60E-21 0.0001 0.0000 0.4326 0.2570 0.0135 0.3262\t \n368.0 1.01E-20 0.0001 0.0000 0.4216 0.2548 0.0122 0.3100\t \n369.0 1.06E-20 0.0001 0.0000 0.4105 0.2524 0.0111 0.2941\t \n370.0 1.14E-20 0.0000 0.0000 0.3994 0.2497 0.0100 0.2787\t \n371.0 1.19E-20 0.0000 0.0000 0.3882 0.2467 0.0091 0.2637\t \n372.0 1.14E-20 0.0000 0.0000 0.3770 0.2436 0.0082 0.2492\t \n373.0 1.21E-20 0.0000 0.0000 0.3659 0.2401 0.0074 0.2351\t \n374.0 1.35E-20 0.0000 0.0000 0.3549 0.2365 0.0067 0.2216\t \n375.0 1.33E-20 0.0000 0.0000 0.3439 0.2327 0.0061 0.2086\t \n376.0 1.38E-20 0.0000 0.0000 0.3330 0.2287 0.0055 0.1962\t \n377.0 1.47E-20 0.0000 0.0000 0.3223 0.2246 0.0049 0.1842\t \n378.0 1.61E-20 0.0000 0.0000 0.3117 0.2203 0.0044 0.1728\t \n379.0 1.53E-20 0.0000 0.0000 0.3014 0.2158 0.0040 0.1619\t \n380.0 1.93E-20 0.0000 0.0000 0.2911 0.2112 0.0036 0.1516\t \n381.0 2.46E-20 0.0000 0.0000 0.2811 0.2066 0.0032 0.1417\t \n382.0 2.02E-20 0.0000 0.0000 0.2713 0.2018 0.0029 0.1324\t \n383.0 2.07E-20 0.0000 0.0000 0.2617 0.1970 0.0026 0.1235\t \n384.0 1.94E-20 0.0000 0.0000 0.2523 0.1921 0.0023 0.1152\t \n385.0 1.89E-20 0.0000 0.0000 0.2431 0.1872 0.0021 0.1073\t \n386.0 1.84E-20 0.0000 0.0000 0.2342 0.1823 0.0019 0.0998\t \n387.0 2.29E-20 0.0000 0.0000 0.2255 0.1773 0.0017 0.0928\t \n388.0 3.00E-20 0.0000 0.0000 0.2170 0.1723 0.0015 0.0862\t \n389.0 3.21E-20 0.0000 0.0000 0.2087 0.1674 0.0014 0.0799\t \n390.0 3.48E-20 0.0000 0.0000 0.2006 0.1624 0.0012 0.0741\t \n391.0 3.92E-20 0.0000 0.0000 0.1927 0.1574 0.0011 0.0686\t \n392.0 3.80E-20 0.0000 0.0000 0.1850 0.1525 0.0010 0.0634\t \n393.0 2.85E-20 0.0000 0.0000 0.1775 0.1475 0.0009 0.0585\t \n394.0 3.15E-20 0.0000 0.0000 0.1702 0.1426 0.0008 0.0539\t \n395.0 3.86E-20 0.0000 0.0000 0.1630 0.1377 0.0007 0.0496\t \n396.0 3.68E-20 0.0000 0.0000 0.1559 0.1327 0.0006 0.0455\t \n397.0 3.36E-20 0.0000 0.0000 0.1489 0.1277 0.0005 0.0416\t \n398.0 4.32E-20 0.0000 0.0000 0.1420 0.1227 0.0005 0.0379\t \n399.0 4.35E-20 0.0000 0.0000 0.1350 0.1176 0.0004 0.0344\t \n400.0 3.87E-20 0.0000 0.0000 0.1281 0.1124 0.0004 0.0311\t \n401.0 4.46E-20 0.0000 0.0000 0.1212 0.1071 0.0003 0.0279\t \n402.0 5.84E-20 0.0000 0.0000 0.1141 0.1017 0.0003 0.0248\t \n403.0 7.16E-20 0.0000 0.0000 0.1070 0.0961 0.0003 0.0219\t \n404.0 6.24E-20 0.0000 0.0000 0.0997 0.0902 0.0002 0.0191\t \n405.0 4.49E-20 0.0000 0.0000 0.0923 0.0842 0.0002 0.0164\t \n406.0 4.48E-20 0.0000 0.0000 0.0848 0.0780 0.0002 0.0139\t \n407.0 4.07E-20 0.0000 0.0000 0.0772 0.0715 0.0001 0.0115\t \n408.0 3.44E-20 0.0000 0.0000 0.0696 0.0650 0.0001 0.0094\t \n409.0 4.01E-20 0.0000 0.0000 0.0620 0.0583 0.0001 0.0075\t \n410.0 5.66E-20 0.0000 0.0000 0.0545 0.0517 0.0001 0.0058\t \n411.0 7.22E-20 0.0000 0.0000 0.0474 0.0453 0.0001 0.0044\t \n412.0 7.41E-20 0.0000 0.0000 0.0407 0.0391 0.0001 0.0033\t \n413.0 1.08E-19 0.0000 0.0000 0.0344 0.0333 0.0000 0.0023\t \n414.0 1.01E-19 0.0000 0.0000 0.0288 0.0280 0.0000 0.0016\t \n415.0 1.02E-19 0.0000 0.0000 0.0238 0.0233 0.0000 0.0011\t \n416.0 6.07E-20 0.0000 0.0000 0.0194 0.0191 0.0000 0.0008\t \n417.0 6.83E-20 0.0000 0.0000 0.0157 0.0155 0.0000 0.0005\t \n418.0 7.87E-20 0.0000 0.0000 0.0126 0.0125 0.0000 0.0003\t \n419.0 9.13E-20 0.0000 0.0000 0.0101 0.0100 0.0000 0.0002\t \n420.0 5.60E-20 0.0000 0.0000 0.0080 0.0079 0.0000 0.0001\t \n421.0 7.19E-20 0.0000 0.0000 0.0063 0.0062 0.0000 0.0001\t \n422.0 6.99E-20 0.0000 0.0000 0.0049 0.0049 0.0000 0.0000\t \n423.0 1.30E-19 0.0000 0.0000 0.0038 0.0038 0.0000 0.0000\t \n424.0 8.24E-20 0.0000 0.0000 0.0030 0.0030 0.0000 0.0000\t \n425.0 1.04E-19 0.0000 0.0000 0.0023 0.0023 0.0000 0.0000\t \n426.0 1.64E-19 0.0000 0.0000 0.0018 0.0018 0.0000 0.0000\t \n427.0 1.61E-19 0.0000 0.0000 0.0014 0.0014 0.0000 0.0000\t \n428.0 2.14E-19 0.0000 0.0000 0.0010 0.0010 0.0000 0.0000\t \n429.0 6.50E-20 0.0000 0.0000 0.0008 0.0008 0.0000 0.0000\t \n430.0 7.03E-20 0.0000 0.0000 0.0006 0.0006 0.0000 0.0000\t \n431.0 6.52E-20 0.0000 0.0000 0.0005 0.0005 0.0000 0.0000\t \n432.0 6.08E-20 0.0000 0.0000 0.0003 0.0003 0.0000 0.0000\t \n433.0 5.66E-20 0.0000 0.0000 0.0003 0.0003 0.0000 0.0000\t \n434.0 6.81E-20 0.0000 0.0000 0.0002 0.0002 0.0000 0.0000\t \n435.0 7.66E-20 0.0000 0.0000 0.0001 0.0001 0.0000 0.0000\t \n436.0 1.32E-19 0.0000 0.0000 0.0001 0.0001 0.0000 0.0000\t \n437.0 9.19E-20 0.0000 0.0000 0.0001 0.0001 0.0000 0.0000\t \n438.0 1.38E-19 0.0000 0.0000 0.0001 0.0001 0.0000 0.0000\t \n439.0 1.21E-19 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n440.0 2.59E-19 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n441.0 1.31E-19 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n442.0 9.01E-20 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n443.0 1.11E-19 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n444.0 1.35E-19 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n445.0 1.51E-19 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n446.0 7.82E-20 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n447.0 3.73E-20 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n448.0 4.14E-20 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n449.0 5.53E-20 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n450.0 8.68E-20 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n451.0 1.38E-19 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n452.0 1.59E-19 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n453.0 3.04E-19 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n454.0 2.69E-19 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n455.0 5.20E-19 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n456.0 1.57E-19 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n457.0 2.66E-20 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n458.0 2.20E-20 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n459.0 9.02E-21 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n460.0 1.20E-20 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n461.0 8.83E-21 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n462.0 5.88E-21 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n463.0 3.22E-21 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n464.0 3.39E-21 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n465.0 3.30E-21 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n466.0 4.16E-21 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n467.0 5.22E-21 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n468.0 1.49E-21 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n469.0 9.10E-22 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n470.0 7.60E-22 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n471.0 8.60E-22 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n472.0 9.20E-22 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n473.0 1.10E-21 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/GLY_2R_MCMv32", "content": "GLY_2R_MCMv32\n!Glyoxal (CHOCHO) channel quantum yields (1 bar, 298 K) \n!Rate sums quantum yields of phi2 and phi5 channels\n!CHOCHO--->2HCO\n!CHOCHO--->2H+2CHO\n!http://iupac.pole-ether.fr/htdocs/datasheets/pdf/P4_(CHO)2+hv.pdf\n!Dated: May 2013\n! \n!phi1 = H2 + 2CO\n!phi2 = HCO + HCO\n!phi3 = HCHO + CO\n!phi4 = HCO+CO+H\n!phi5 = 2H+2CO\n!phi6 = TOTAL\n!\n! \n!wvl XCROSS 2HCO HCO+CO+H 2H+2CO H2+2CO HCHO+CO Total \nPoints (the mechanism evaluated with this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n250.0 1.73E-20 0.0034 0.3888 0.2527 0.0000 0.3550 0.9999\t \n251.0 1.52E-20 0.0037 0.3887 0.2505 0.0000 0.3570 0.9999\t \n252.0 1.48E-20 0.0039 0.3887 0.2483 0.0000 0.3591 0.9999\t \n253.0 1.55E-20 0.0042 0.3886 0.2459 0.0000 0.3613 0.9999\t \n254.0 1.60E-20 0.0045 0.3884 0.2433 0.0000 0.3637 0.9998\t \n255.0 1.67E-20 0.0049 0.3883 0.2405 0.0000 0.3662 0.9998\t \n256.0 1.62E-20 0.0052 0.3882 0.2376 0.0000 0.3689 0.9998\t \n257.0 1.81E-20 0.0056 0.3881 0.2345 0.0000 0.3717 0.9998\t \n258.0 1.82E-20 0.0060 0.3879 0.2313 0.0000 0.3747 0.9997\t \n259.0 1.85E-20 0.0065 0.3878 0.2278 0.0000 0.3779 0.9997\t \n260.0 1.83E-20 0.0069 0.3876 0.2242 0.0000 0.3812 0.9997\t \n261.0 1.96E-20 0.0074 0.3874 0.2204 0.0000 0.3847 0.9996\t \n262.0 2.03E-20 0.0080 0.3872 0.2164 0.0000 0.3883 0.9996\t \n263.0 2.14E-20 0.0086 0.3870 0.2122 0.0000 0.3921 0.9995\t \n264.0 2.18E-20 0.0092 0.3868 0.2078 0.0000 0.3961 0.9995\t \n265.0 2.26E-20 0.0099 0.3865 0.2032 0.0000 0.4002 0.9994\t \n266.0 2.33E-20 0.0106 0.3863 0.1985 0.0000 0.4045 0.9994\t \n267.0 2.37E-20 0.0113 0.3860 0.1936 0.0000 0.4089 0.9993\t \n268.0 2.36E-20 0.0122 0.3857 0.1885 0.0000 0.4134 0.9992\t \n269.0 2.48E-20 0.0130 0.3854 0.1833 0.0000 0.4180 0.9991\t \n270.0 2.51E-20 0.0140 0.3850 0.1780 0.0000 0.4227 0.9990\t \n271.0 2.61E-20 0.0150 0.3847 0.1725 0.0000 0.4275 0.9989\t \n272.0 2.72E-20 0.0161 0.3843 0.1669 0.0000 0.4324 0.9988\t \n273.0 2.81E-20 0.0172 0.3838 0.1613 0.0000 0.4373 0.9986\t \n274.0 2.92E-20 0.0185 0.3834 0.1555 0.0000 0.4422 0.9985\t \n275.0 3.00E-20 0.0198 0.3829 0.1497 0.0000 0.4471 0.9983\t \n276.0 3.06E-20 0.0212 0.3823 0.1439 0.0000 0.4520 0.9981\t \n277.0 3.09E-20 0.0227 0.3818 0.1381 0.0000 0.4568 0.9979\t \n278.0 3.08E-20 0.0244 0.3812 0.1322 0.0000 0.4615 0.9977\t \n279.0 3.09E-20 0.0261 0.3805 0.1264 0.0000 0.4662 0.9975\t \n280.0 3.14E-20 0.0280 0.3798 0.1206 0.0000 0.4707 0.9972\t \n281.0 3.22E-20 0.0300 0.3790 0.1149 0.0000 0.4751 0.9969\t \n282.0 3.32E-20 0.0321 0.3782 0.1093 0.0000 0.4792 0.9966\t \n283.0 3.46E-20 0.0344 0.3774 0.1038 0.0000 0.4832 0.9962\t \n284.0 3.57E-20 0.0368 0.3764 0.0984 0.0000 0.4870 0.9958\t \n285.0 3.67E-20 0.0394 0.3754 0.0931 0.0000 0.4905 0.9954\t \n286.0 3.80E-20 0.0421 0.3744 0.0880 0.0000 0.4938 0.9950\t \n287.0 3.79E-20 0.0451 0.3732 0.0830 0.0000 0.4968 0.9945\t \n288.0 3.81E-20 0.0482 0.3720 0.0782 0.0000 0.4995 0.9939\t \n289.0 3.80E-20 0.0515 0.3707 0.0736 0.0000 0.5019 0.9934\t \n290.0 3.73E-20 0.0551 0.3693 0.0692 0.0000 0.5040 0.9927\t \n291.0 3.64E-20 0.0589 0.3678 0.0649 0.0000 0.5057 0.9920\t \n292.0 3.65E-20 0.0629 0.3663 0.0608 0.0000 0.5071 0.9913\t \n293.0 3.68E-20 0.0672 0.3646 0.0569 0.0000 0.5081 0.9905\t \n294.0 3.73E-20 0.0717 0.3628 0.0532 0.0000 0.5088 0.9896\t \n295.0 3.81E-20 0.0765 0.3608 0.0497 0.0000 0.5091 0.9887\t \n296.0 3.82E-20 0.0816 0.3588 0.0463 0.0000 0.5090 0.9876\t \n297.0 3.92E-20 0.0870 0.3566 0.0432 0.0000 0.5086 0.9866\t \n298.0 4.07E-20 0.0928 0.3543 0.0402 0.0000 0.5078 0.9854\t \n299.0 4.12E-20 0.0988 0.3518 0.0374 0.0000 0.5066 0.9841\t \n300.0 4.05E-20 0.1052 0.3492 0.0347 0.0000 0.5050 0.9827\t \n301.0 3.91E-20 0.1120 0.3465 0.0322 0.0000 0.5030 0.9813\t \n302.0 3.78E-20 0.1191 0.3435 0.0299 0.0000 0.5006 0.9797\t \n303.0 3.57E-20 0.1265 0.3404 0.0277 0.0000 0.4979 0.9780\t \n304.0 3.35E-20 0.1344 0.3372 0.0257 0.0000 0.4947 0.9762\t \n305.0 3.24E-20 0.1427 0.3337 0.0238 0.0000 0.4912 0.9743\t \n306.0 3.22E-20 0.1513 0.3301 0.0220 0.0000 0.4874 0.9722\t \n307.0 3.20E-20 0.1604 0.3262 0.0203 0.0000 0.4831 0.9700\t \n308.0 3.15E-20 0.1698 0.3222 0.0188 0.0000 0.4785 0.9677\t \n309.0 3.12E-20 0.1797 0.3180 0.0174 0.0000 0.4736 0.9652\t \n310.0 3.10E-20 0.1899 0.3135 0.0160 0.0000 0.4683 0.9626\t \n311.0 3.22E-20 0.2006 0.3089 0.0148 0.0000 0.4627 0.9598\t \n312.0 3.34E-20 0.2117 0.3040 0.0136 0.0000 0.4568 0.9568\t \n313.0 3.39E-20 0.2231 0.2989 0.0126 0.0000 0.4505 0.9536\t \n314.0 3.23E-20 0.2349 0.2936 0.0116 0.0000 0.4441 0.9502\t \n315.0 2.81E-20 0.2471 0.2881 0.0106 0.0000 0.4373 0.9467\t \n316.0 2.65E-20 0.2595 0.2824 0.0098 0.0000 0.4303 0.9429\t \n317.0 2.46E-20 0.2723 0.2765 0.0090 0.0000 0.4232 0.9389\t \n318.0 2.21E-20 0.2854 0.2704 0.0083 0.0000 0.4158 0.9347\t \n319.0 1.93E-20 0.2987 0.2641 0.0076 0.0000 0.4083 0.9303\t \n320.0 1.85E-20 0.3123 0.2576 0.0070 0.0000 0.4007 0.9257\t \n321.0 1.89E-20 0.3260 0.2509 0.0064 0.0000 0.3930 0.9207\t \n322.0 1.77E-20 0.3398 0.2441 0.0059 0.0000 0.3852 0.9156\t \n323.0 1.72E-20 0.3537 0.2372 0.0054 0.0000 0.3774 0.9101\t \n324.0 1.68E-20 0.3676 0.2300 0.0050 0.0000 0.3696 0.9044\t \n325.0 1.60E-20 0.3815 0.2228 0.0045 0.0000 0.3619 0.8984\t \n326.0 1.61E-20 0.3953 0.2155 0.0042 0.0000 0.3543 0.8921\t \n327.0 1.70E-20 0.4090 0.2081 0.0038 0.0000 0.3469 0.8854\t \n328.0 1.94E-20 0.4225 0.2006 0.0035 0.0000 0.3396 0.8785\t \n329.0 1.86E-20 0.4357 0.1931 0.0032 0.0000 0.3325 0.8712\t \n330.0 1.69E-20 0.4486 0.1855 0.0029 0.0000 0.3256 0.8636\t \n331.0 1.13E-20 0.4611 0.1780 0.0027 0.0000 0.3191 0.8556\t \n332.0 1.05E-20 0.4731 0.1705 0.0024 0.0000 0.3128 0.8473\t \n333.0 9.66E-21 0.4847 0.1630 0.0022 0.0000 0.3069 0.8385\t \n334.0 9.19E-21 0.4957 0.1555 0.0020 0.0000 0.3013 0.8294\t \n335.0 7.37E-21 0.5060 0.1482 0.0019 0.0000 0.2961 0.8198\t \n336.0 6.30E-21 0.5157 0.1409 0.0017 0.0000 0.2913 0.8099\t \n337.0 5.89E-21 0.5248 0.1338 0.0015 0.0000 0.2869 0.7995\t \n338.0 6.47E-21 0.5330 0.1268 0.0014 0.0000 0.2829 0.7886\t \n339.0 5.85E-21 0.5405 0.1200 0.0013 0.0000 0.2794 0.7773\t \n340.0 5.53E-21 0.5471 0.1133 0.0012 0.0000 0.2762 0.7656\t \n341.0 5.63E-21 0.5529 0.1069 0.0011 0.0000 0.2735 0.7534\t \n342.0 5.10E-21 0.5578 0.1006 0.0010 0.0000 0.2711 0.7407\t \n343.0 4.99E-21 0.5619 0.0945 0.0009 0.0000 0.2692 0.7276\t \n344.0 6.49E-21 0.5650 0.0886 0.0008 0.0000 0.2676 0.7140\t \n345.0 6.24E-21 0.5672 0.0830 0.0007 0.0000 0.2663 0.6999\t \n346.0 7.33E-21 0.5686 0.0776 0.0007 0.0000 0.2654 0.6854\t \n347.0 6.31E-21 0.5690 0.0724 0.0006 0.0000 0.2647 0.6705\t \n348.0 6.04E-21 0.5686 0.0675 0.0005 0.0000 0.2643 0.6551\t \n349.0 4.15E-21 0.5672 0.0628 0.0005 0.0000 0.2641 0.6393\t \n350.0 3.91E-21 0.5651 0.0583 0.0004 0.0000 0.2640 0.6232\t \n351.0 3.95E-21 0.5621 0.0541 0.0004 0.0000 0.2641 0.6067\t \n352.0 4.23E-21 0.5583 0.0501 0.0004 0.0000 0.2643 0.5898\t \n353.0 4.15E-21 0.5537 0.0463 0.0003 0.0000 0.2646 0.5727\t \n354.0 4.03E-21 0.5485 0.0427 0.0003 0.0000 0.2649 0.5553\t \n355.0 4.22E-21 0.5425 0.0394 0.0003 0.0000 0.2652 0.5377\t \n356.0 4.43E-21 0.5359 0.0363 0.0002 0.0000 0.2654 0.5199\t \n357.0 4.31E-21 0.5286 0.0333 0.0002 0.0000 0.2655 0.5020\t \n358.0 4.71E-21 0.5208 0.0306 0.0002 0.0000 0.2656 0.4840\t \n359.0 5.03E-21 0.5125 0.0281 0.0002 0.0000 0.2655 0.4660\t \n360.0 5.46E-21 0.5037 0.0257 0.0002 0.0000 0.2652 0.4480\t \n361.0 6.27E-21 0.4945 0.0235 0.0001 0.0000 0.2647 0.4301\t \n362.0 7.06E-21 0.4849 0.0215 0.0001 0.0000 0.2640 0.4122\t \n363.0 6.39E-21 0.4749 0.0196 0.0001 0.0000 0.2631 0.3945\t \n364.0 6.80E-21 0.4647 0.0179 0.0001 0.0000 0.2620 0.3770\t \n365.0 6.65E-21 0.4542 0.0163 0.0001 0.0000 0.2606 0.3598\t \n366.0 7.43E-21 0.4435 0.0148 0.0001 0.0000 0.2589 0.3428\t \n367.0 8.60E-21 0.4326 0.0135 0.0001 0.0000 0.2570 0.3262\t \n368.0 1.01E-20 0.4216 0.0122 0.0001 0.0000 0.2548 0.3100\t \n369.0 1.06E-20 0.4105 0.0111 0.0001 0.0000 0.2524 0.2941\t \n370.0 1.14E-20 0.3994 0.0100 0.0000 0.0000 0.2497 0.2787\t \n371.0 1.19E-20 0.3882 0.0091 0.0000 0.0000 0.2467 0.2637\t \n372.0 1.14E-20 0.3770 0.0082 0.0000 0.0000 0.2436 0.2492\t \n373.0 1.21E-20 0.3659 0.0074 0.0000 0.0000 0.2401 0.2351\t \n374.0 1.35E-20 0.3549 0.0067 0.0000 0.0000 0.2365 0.2216\t \n375.0 1.33E-20 0.3439 0.0061 0.0000 0.0000 0.2327 0.2086\t \n376.0 1.38E-20 0.3330 0.0055 0.0000 0.0000 0.2287 0.1962\t \n377.0 1.47E-20 0.3223 0.0049 0.0000 0.0000 0.2246 0.1842\t \n378.0 1.61E-20 0.3117 0.0044 0.0000 0.0000 0.2203 0.1728\t \n379.0 1.53E-20 0.3014 0.0040 0.0000 0.0000 0.2158 0.1619\t \n380.0 1.93E-20 0.2911 0.0036 0.0000 0.0000 0.2112 0.1516\t \n381.0 2.46E-20 0.2811 0.0032 0.0000 0.0000 0.2066 0.1417\t \n382.0 2.02E-20 0.2713 0.0029 0.0000 0.0000 0.2018 0.1324\t \n383.0 2.07E-20 0.2617 0.0026 0.0000 0.0000 0.1970 0.1235\t \n384.0 1.94E-20 0.2523 0.0023 0.0000 0.0000 0.1921 0.1152\t \n385.0 1.89E-20 0.2431 0.0021 0.0000 0.0000 0.1872 0.1073\t \n386.0 1.84E-20 0.2342 0.0019 0.0000 0.0000 0.1823 0.0998\t \n387.0 2.29E-20 0.2255 0.0017 0.0000 0.0000 0.1773 0.0928\t \n388.0 3.00E-20 0.2170 0.0015 0.0000 0.0000 0.1723 0.0862\t \n389.0 3.21E-20 0.2087 0.0014 0.0000 0.0000 0.1674 0.0799\t \n390.0 3.48E-20 0.2006 0.0012 0.0000 0.0000 0.1624 0.0741\t \n391.0 3.92E-20 0.1927 0.0011 0.0000 0.0000 0.1574 0.0686\t \n392.0 3.80E-20 0.1850 0.0010 0.0000 0.0000 0.1525 0.0634\t \n393.0 2.85E-20 0.1775 0.0009 0.0000 0.0000 0.1475 0.0585\t \n394.0 3.15E-20 0.1702 0.0008 0.0000 0.0000 0.1426 0.0539\t \n395.0 3.86E-20 0.1630 0.0007 0.0000 0.0000 0.1377 0.0496\t \n396.0 3.68E-20 0.1559 0.0006 0.0000 0.0000 0.1327 0.0455\t \n397.0 3.36E-20 0.1489 0.0005 0.0000 0.0000 0.1277 0.0416\t \n398.0 4.32E-20 0.1420 0.0005 0.0000 0.0000 0.1227 0.0379\t \n399.0 4.35E-20 0.1350 0.0004 0.0000 0.0000 0.1176 0.0344\t \n400.0 3.87E-20 0.1281 0.0004 0.0000 0.0000 0.1124 0.0311\t \n401.0 4.46E-20 0.1212 0.0003 0.0000 0.0000 0.1071 0.0279\t \n402.0 5.84E-20 0.1141 0.0003 0.0000 0.0000 0.1017 0.0248\t \n403.0 7.16E-20 0.1070 0.0003 0.0000 0.0000 0.0961 0.0219\t \n404.0 6.24E-20 0.0997 0.0002 0.0000 0.0000 0.0902 0.0191\t \n405.0 4.49E-20 0.0923 0.0002 0.0000 0.0000 0.0842 0.0164\t \n406.0 4.48E-20 0.0848 0.0002 0.0000 0.0000 0.0780 0.0139\t \n407.0 4.07E-20 0.0772 0.0001 0.0000 0.0000 0.0715 0.0115\t \n408.0 3.44E-20 0.0696 0.0001 0.0000 0.0000 0.0650 0.0094\t \n409.0 4.01E-20 0.0620 0.0001 0.0000 0.0000 0.0583 0.0075\t \n410.0 5.66E-20 0.0545 0.0001 0.0000 0.0000 0.0517 0.0058\t \n411.0 7.22E-20 0.0474 0.0001 0.0000 0.0000 0.0453 0.0044\t \n412.0 7.41E-20 0.0407 0.0001 0.0000 0.0000 0.0391 0.0033\t \n413.0 1.08E-19 0.0344 0.0000 0.0000 0.0000 0.0333 0.0023\t \n414.0 1.01E-19 0.0288 0.0000 0.0000 0.0000 0.0280 0.0016\t \n415.0 1.02E-19 0.0238 0.0000 0.0000 0.0000 0.0233 0.0011\t \n416.0 6.07E-20 0.0194 0.0000 0.0000 0.0000 0.0191 0.0008\t \n417.0 6.83E-20 0.0157 0.0000 0.0000 0.0000 0.0155 0.0005\t \n418.0 7.87E-20 0.0126 0.0000 0.0000 0.0000 0.0125 0.0003\t \n419.0 9.13E-20 0.0101 0.0000 0.0000 0.0000 0.0100 0.0002\t \n420.0 5.60E-20 0.0080 0.0000 0.0000 0.0000 0.0079 0.0001\t \n421.0 7.19E-20 0.0063 0.0000 0.0000 0.0000 0.0062 0.0001\t \n422.0 6.99E-20 0.0049 0.0000 0.0000 0.0000 0.0049 0.0000\t \n423.0 1.30E-19 0.0038 0.0000 0.0000 0.0000 0.0038 0.0000\t \n424.0 8.24E-20 0.0030 0.0000 0.0000 0.0000 0.0030 0.0000\t \n425.0 1.04E-19 0.0023 0.0000 0.0000 0.0000 0.0023 0.0000\t \n426.0 1.64E-19 0.0018 0.0000 0.0000 0.0000 0.0018 0.0000\t \n427.0 1.61E-19 0.0014 0.0000 0.0000 0.0000 0.0014 0.0000\t \n428.0 2.14E-19 0.0010 0.0000 0.0000 0.0000 0.0010 0.0000\t \n429.0 6.50E-20 0.0008 0.0000 0.0000 0.0000 0.0008 0.0000\t \n430.0 7.03E-20 0.0006 0.0000 0.0000 0.0000 0.0006 0.0000\t \n431.0 6.52E-20 0.0005 0.0000 0.0000 0.0000 0.0005 0.0000\t \n432.0 6.08E-20 0.0003 0.0000 0.0000 0.0000 0.0003 0.0000\t \n433.0 5.66E-20 0.0003 0.0000 0.0000 0.0000 0.0003 0.0000\t \n434.0 6.81E-20 0.0002 0.0000 0.0000 0.0000 0.0002 0.0000\t \n435.0 7.66E-20 0.0001 0.0000 0.0000 0.0000 0.0001 0.0000\t \n436.0 1.32E-19 0.0001 0.0000 0.0000 0.0000 0.0001 0.0000\t \n437.0 9.19E-20 0.0001 0.0000 0.0000 0.0000 0.0001 0.0000\t \n438.0 1.38E-19 0.0001 0.0000 0.0000 0.0000 0.0001 0.0000\t \n439.0 1.21E-19 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n440.0 2.59E-19 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n441.0 1.31E-19 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n442.0 9.01E-20 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n443.0 1.11E-19 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n444.0 1.35E-19 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n445.0 1.51E-19 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n446.0 7.82E-20 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n447.0 3.73E-20 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n448.0 4.14E-20 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n449.0 5.53E-20 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n450.0 8.68E-20 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n451.0 1.38E-19 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n452.0 1.59E-19 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n453.0 3.04E-19 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n454.0 2.69E-19 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n455.0 5.20E-19 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n456.0 1.57E-19 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n457.0 2.66E-20 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n458.0 2.20E-20 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n459.0 9.02E-21 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n460.0 1.20E-20 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n461.0 8.83E-21 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n462.0 5.88E-21 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n463.0 3.22E-21 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n464.0 3.39E-21 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n465.0 3.30E-21 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n466.0 4.16E-21 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n467.0 5.22E-21 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n468.0 1.49E-21 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n469.0 9.10E-22 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n470.0 7.60E-22 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n471.0 8.60E-22 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n472.0 9.20E-22 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n473.0 1.10E-21 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/GLY_ABS_SAPRC99", "content": "GLY_ABS\n! Glyoxal Absorption Cross Sections\n! SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\n! Created from PhotDat.xls on 29-Jan-2000 10:07\nPoints (the mechanism was evaluated assuming this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n230.0 2.870E-21 1.000\n235.0 2.870E-21 1.000\n240.0 4.300E-21 1.000\n245.0 5.730E-21 1.000\n250.0 8.600E-21 1.000\n255.0 1.150E-20 1.000\n260.0 1.430E-20 1.000\n265.0 1.860E-20 1.000\n270.0 2.290E-20 1.000\n275.0 2.580E-20 1.000\n280.0 2.870E-20 1.000\n285.0 3.300E-20 1.000\n290.0 3.150E-20 1.000\n295.0 3.300E-20 1.000\n300.0 3.580E-20 1.000\n305.0 2.720E-20 1.000\n310.0 2.720E-20 1.000\n312.5 2.870E-20 1.000\n315.0 2.290E-20 1.000\n320.0 1.430E-20 1.000\n325.0 1.150E-20 1.000\n327.5 1.430E-20 1.000\n330.0 1.150E-20 1.000\n335.0 2.870E-21 1.000\n340.0 0.000E+00 1.000\n355.0 0.000E+00 1.000\n360.0 2.290E-21 1.000\n365.0 2.870E-21 1.000\n370.0 8.030E-21 1.000\n375.0 1.000E-20 1.000\n380.0 1.720E-20 1.000\n382.0 1.580E-20 1.000\n384.0 1.490E-20 1.000\n386.0 1.490E-20 1.000\n388.0 2.870E-20 1.000\n390.0 3.150E-20 1.000\n391.0 3.240E-20 1.000\n392.0 3.040E-20 1.000\n393.0 2.230E-20 1.000\n394.0 2.630E-20 1.000\n395.0 3.040E-20 1.000\n396.0 2.630E-20 1.000\n397.0 2.430E-20 1.000\n398.0 3.240E-20 1.000\n399.0 3.040E-20 1.000\n400.0 2.840E-20 1.000\n401.0 3.240E-20 1.000\n402.0 4.460E-20 1.000\n403.0 5.270E-20 1.000\n404.0 4.260E-20 1.000\n405.0 3.040E-20 1.000\n406.0 3.040E-20 1.000\n407.0 2.840E-20 1.000\n408.0 2.430E-20 1.000\n409.0 2.840E-20 1.000\n410.0 6.080E-20 1.000\n411.0 5.070E-20 1.000\n411.5 6.080E-20 1.000\n412.0 4.860E-20 1.000\n413.0 8.310E-20 1.000\n413.5 6.480E-20 1.000\n414.0 7.500E-20 1.000\n414.5 8.110E-20 1.000\n415.0 8.110E-20 1.000\n415.5 6.890E-20 1.000\n416.0 4.260E-20 1.000\n417.0 4.860E-20 1.000\n418.0 5.880E-20 1.000\n419.0 6.690E-20 1.000\n420.0 3.850E-20 1.000\n421.0 5.670E-20 1.000\n421.5 4.460E-20 1.000\n422.0 5.270E-20 1.000\n422.5 1.050E-19 1.000\n423.0 8.510E-20 1.000\n424.0 6.080E-20 1.000\n425.0 7.290E-20 1.000\n426.0 1.180E-19 1.000\n426.5 1.300E-19 1.000\n427.0 1.070E-19 1.000\n428.0 1.660E-19 1.000\n429.0 4.050E-20 1.000\n430.0 5.070E-20 1.000\n431.0 4.860E-20 1.000\n432.0 4.050E-20 1.000\n433.0 3.650E-20 1.000\n434.0 4.050E-20 1.000\n434.5 6.080E-20 1.000\n435.0 5.070E-20 1.000\n436.0 8.110E-20 1.000\n436.5 1.130E-19 1.000\n437.0 5.270E-20 1.000\n438.0 1.010E-19 1.000\n438.5 1.380E-19 1.000\n439.0 7.700E-20 1.000\n440.0 2.470E-19 1.000\n441.0 8.110E-20 1.000\n442.0 6.080E-20 1.000\n443.0 7.500E-20 1.000\n444.0 9.320E-20 1.000\n445.0 1.130E-19 1.000\n446.0 5.270E-20 1.000\n447.0 2.430E-20 1.000\n448.0 2.840E-20 1.000\n449.0 3.850E-20 1.000\n450.0 6.080E-20 1.000\n451.0 1.090E-19 1.000\n451.5 9.320E-20 1.000\n452.0 1.220E-19 1.000\n453.0 2.390E-19 1.000\n454.0 1.700E-19 1.000\n455.0 3.400E-19 1.000\n455.5 4.050E-19 1.000\n456.0 1.010E-19 1.000\n457.0 1.620E-20 1.000\n458.0 1.220E-20 1.000\n458.5 1.420E-20 1.000\n459.0 4.050E-21 1.000\n460.0 4.050E-21 1.000\n460.5 6.080E-21 1.000\n461.0 2.030E-21 1.000\n462.0 0.000E+00 1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/GLY_FO_MCMv32", "content": "GLY_FO_MCMv32\n!Glyoxal (CHOCHO) channel quantum yields (1 bar, 298 K) \n!CHOCHO--->HCHO+CO\n!http://iupac.pole-ether.fr/htdocs/datasheets/pdf/P4_(CHO)2+hv.pdf\n!\n!Photolysis of glyoxal in air \n!Jovan Tadic, Geert K. Moortgat and Klaus Wirtz \n!Journal of Photochemistry and Photobiology A: Chemistry, 177 (2006) 116-124 \n! \n!phi1 = H2 + 2CO \n!phi2 = HCO + HCO \n!phi3 = HCHO + CO \n!phi4 = HCO+CO+H \n!phi5 = 2H+2CO \n!phi6 = TOTAL \n! \n!wvl XCROSS HCHO+CO h2+2CO\t 2HCO HCO+CO+H 2H+2CO Total 2CO + 2HO2\nPoints (the mechanism evaluated with this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n250.0 1.73E-20 0.3550\t0.0000 0.0034 0.3888 0.2527 0.9999 0.6111\t\n251.0 1.52E-20 0.3570\t0.0000 0.0037 0.3887 0.2505 0.9999 0.6112\t\n252.0 1.48E-20 0.3591\t0.0000 0.0039 0.3887 0.2483 0.9999 0.6113\t\n253.0 1.55E-20 0.3613\t0.0000 0.0042 0.3886 0.2459 0.9999 0.6114\t\n254.0 1.60E-20 0.3637\t0.0000 0.0045 0.3884 0.2433 0.9998 0.6115\t\n255.0 1.67E-20 0.3662\t0.0000 0.0049 0.3883 0.2405 0.9998 0.6116\t\n256.0 1.62E-20 0.3689\t0.0000 0.0052 0.3882 0.2376 0.9998 0.6117\t\n257.0 1.81E-20 0.3717\t0.0000 0.0056 0.3881 0.2345 0.9998 0.6119\t\n258.0 1.82E-20 0.3747\t0.0000 0.0060 0.3879 0.2313 0.9997 0.6120\t\n259.0 1.85E-20 0.3779\t0.0000 0.0065 0.3878 0.2278 0.9997 0.6122\t\n260.0 1.83E-20 0.3812\t0.0000 0.0069 0.3876 0.2242 0.9997 0.6123\t\n261.0 1.96E-20 0.3847\t0.0000 0.0074 0.3874 0.2204 0.9996 0.6125\t\n262.0 2.03E-20 0.3883\t0.0000 0.0080 0.3872 0.2164 0.9996 0.6127\t\n263.0 2.14E-20 0.3921\t0.0000 0.0086 0.3870 0.2122 0.9995 0.6129\t\n264.0 2.18E-20 0.3961\t0.0000 0.0092 0.3868 0.2078 0.9995 0.6131\t\n265.0 2.26E-20 0.4002\t0.0000 0.0099 0.3865 0.2032 0.9994 0.6133\t\n266.0 2.33E-20 0.4045\t0.0000 0.0106 0.3863 0.1985 0.9994 0.6135\t\n267.0 2.37E-20 0.4089\t0.0000 0.0113 0.3860 0.1936 0.9993 0.6138\t\n268.0 2.36E-20 0.4134\t0.0000 0.0122 0.3857 0.1885 0.9992 0.6141\t\n269.0 2.48E-20 0.4180\t0.0000 0.0130 0.3854 0.1833 0.9991 0.6144\t\n270.0 2.51E-20 0.4227\t0.0000 0.0140 0.3850 0.1780 0.9990 0.6147\t\n271.0 2.61E-20 0.4275\t0.0000 0.0150 0.3847 0.1725 0.9989 0.6150\t\n272.0 2.72E-20 0.4324\t0.0000 0.0161 0.3843 0.1669 0.9988 0.6154\t\n273.0 2.81E-20 0.4373\t0.0000 0.0172 0.3838 0.1613 0.9986 0.6158\t\n274.0 2.92E-20 0.4422\t0.0000 0.0185 0.3834 0.1555 0.9985 0.6162\t\n275.0 3.00E-20 0.4471\t0.0000 0.0198 0.3829 0.1497 0.9983 0.6166\t\n276.0 3.06E-20 0.4520\t0.0000 0.0212 0.3823 0.1439 0.9981 0.6171\t\n277.0 3.09E-20 0.4568\t0.0000 0.0227 0.3818 0.1381 0.9979 0.6176\t\n278.0 3.08E-20 0.4615\t0.0000 0.0244 0.3812 0.1322 0.9977 0.6181\t\n279.0 3.09E-20 0.4662\t0.0000 0.0261 0.3805 0.1264 0.9975 0.6187\t\n280.0 3.14E-20 0.4707\t0.0000 0.0280 0.3798 0.1206 0.9972 0.6193\t\n281.0 3.22E-20 0.4751\t0.0000 0.0300 0.3790 0.1149 0.9969 0.6200\t\n282.0 3.32E-20 0.4792\t0.0000 0.0321 0.3782 0.1093 0.9966 0.6207\t\n283.0 3.46E-20 0.4832\t0.0000 0.0344 0.3774 0.1038 0.9962 0.6214\t\n284.0 3.57E-20 0.4870\t0.0000 0.0368 0.3764 0.0984 0.9958 0.6222\t\n285.0 3.67E-20 0.4905\t0.0000 0.0394 0.3754 0.0931 0.9954 0.6230\t\n286.0 3.80E-20 0.4938\t0.0000 0.0421 0.3744 0.0880 0.9950 0.6240\t\n287.0 3.79E-20 0.4968\t0.0000 0.0451 0.3732 0.0830 0.9945 0.6249\t\n288.0 3.81E-20 0.4995\t0.0000 0.0482 0.3720 0.0782 0.9939 0.6260\t\n289.0 3.80E-20 0.5019\t0.0000 0.0515 0.3707 0.0736 0.9934 0.6271\t\n290.0 3.73E-20 0.5040\t0.0000 0.0551 0.3693 0.0692 0.9927 0.6282\t\n291.0 3.64E-20 0.5057\t0.0000 0.0589 0.3678 0.0649 0.9920 0.6295\t\n292.0 3.65E-20 0.5071\t0.0000 0.0629 0.3663 0.0608 0.9913 0.6308\t\n293.0 3.68E-20 0.5081\t0.0000 0.0672 0.3646 0.0569 0.9905 0.6322\t\n294.0 3.73E-20 0.5088\t0.0000 0.0717 0.3628 0.0532 0.9896 0.6337\t\n295.0 3.81E-20 0.5091\t0.0000 0.0765 0.3608 0.0497 0.9887 0.6353\t\n296.0 3.82E-20 0.5090\t0.0000 0.0816 0.3588 0.0463 0.9876 0.6370\t\n297.0 3.92E-20 0.5086\t0.0000 0.0870 0.3566 0.0432 0.9866 0.6388\t\n298.0 4.07E-20 0.5078\t0.0000 0.0928 0.3543 0.0402 0.9854 0.6407\t\n299.0 4.12E-20 0.5066\t0.0000 0.0988 0.3518 0.0374 0.9841 0.6428\t\n300.0 4.05E-20 0.5050\t0.0000 0.1052 0.3492 0.0347 0.9827 0.6449\t\n301.0 3.91E-20 0.5030\t0.0000 0.1120 0.3465 0.0322 0.9813 0.6472\t\n302.0 3.78E-20 0.5006\t0.0000 0.1191 0.3435 0.0299 0.9797 0.6496\t\n303.0 3.57E-20 0.4979\t0.0000 0.1265 0.3404 0.0277 0.9780 0.6521\t\n304.0 3.35E-20 0.4947\t0.0000 0.1344 0.3372 0.0257 0.9762 0.6548\t\n305.0 3.24E-20 0.4912\t0.0000 0.1427 0.3337 0.0238 0.9743 0.6577\t\n306.0 3.22E-20 0.4874\t0.0000 0.1513 0.3301 0.0220 0.9722 0.6607\t\n307.0 3.20E-20 0.4831\t0.0000 0.1604 0.3262 0.0203 0.9700 0.6638\t\n308.0 3.15E-20 0.4785\t0.0000 0.1698 0.3222 0.0188 0.9677 0.6671\t\n309.0 3.12E-20 0.4736\t0.0000 0.1797 0.3180 0.0174 0.9652 0.6706\t\n310.0 3.10E-20 0.4683\t0.0000 0.1899 0.3135 0.0160 0.9626 0.6742\t\n311.0 3.22E-20 0.4627\t0.0000 0.2006 0.3089 0.0148 0.9598 0.6780\t\n312.0 3.34E-20 0.4568\t0.0000 0.2117 0.3040 0.0136 0.9568 0.6820\t\n313.0 3.39E-20 0.4505\t0.0000 0.2231 0.2989 0.0126 0.9536 0.6862\t\n314.0 3.23E-20 0.4441\t0.0000 0.2349 0.2936 0.0116 0.9502 0.6905\t\n315.0 2.81E-20 0.4373\t0.0000 0.2471 0.2881 0.0106 0.9467 0.6950\t\n316.0 2.65E-20 0.4303\t0.0000 0.2595 0.2824 0.0098 0.9429 0.6997\t\n317.0 2.46E-20 0.4232\t0.0000 0.2723 0.2765 0.0090 0.9389 0.7045\t\n318.0 2.21E-20 0.4158\t0.0000 0.2854 0.2704 0.0083 0.9347 0.7095\t\n319.0 1.93E-20 0.4083\t0.0000 0.2987 0.2641 0.0076 0.9303 0.7147\t\n320.0 1.85E-20 0.4007\t0.0000 0.3123 0.2576 0.0070 0.9257 0.7199\t\n321.0 1.89E-20 0.3930\t0.0000 0.3260 0.2509 0.0064 0.9207 0.7253\t\n322.0 1.77E-20 0.3852\t0.0000 0.3398 0.2441 0.0059 0.9156 0.7309\t\n323.0 1.72E-20 0.3774\t0.0000 0.3537 0.2372 0.0054 0.9101 0.7365\t\n324.0 1.68E-20 0.3696\t0.0000 0.3676 0.2300 0.0050 0.9044 0.7422\t\n325.0 1.60E-20 0.3619\t0.0000 0.3815 0.2228 0.0045 0.8984 0.7480\t\n326.0 1.61E-20 0.3543\t0.0000 0.3953 0.2155 0.0042 0.8921 0.7538\t\n327.0 1.70E-20 0.3469\t0.0000 0.4090 0.2081 0.0038 0.8854 0.7597\t\n328.0 1.94E-20 0.3396\t0.0000 0.4225 0.2006 0.0035 0.8785 0.7655\t\n329.0 1.86E-20 0.3325\t0.0000 0.4357 0.1931 0.0032 0.8712 0.7713\t\n330.0 1.69E-20 0.3256\t0.0000 0.4486 0.1855 0.0029 0.8636 0.7771\t\n331.0 1.13E-20 0.3191\t0.0000 0.4611 0.1780 0.0027 0.8556 0.7828\t\n332.0 1.05E-20 0.3128\t0.0000 0.4731 0.1705 0.0024 0.8473 0.7883\t\n333.0 9.66E-21 0.3069\t0.0000 0.4847 0.1630 0.0022 0.8385 0.7938\t\n334.0 9.19E-21 0.3013\t0.0000 0.4957 0.1555 0.0020 0.8294 0.7990\t\n335.0 7.37E-21 0.2961\t0.0000 0.5060 0.1482 0.0019 0.8198 0.8040\t\n336.0 6.30E-21 0.2913\t0.0000 0.5157 0.1409 0.0017 0.8099 0.8087\t\n337.0 5.89E-21 0.2869\t0.0000 0.5248 0.1338 0.0015 0.7995 0.8132\t\n338.0 6.47E-21 0.2829\t0.0000 0.5330 0.1268 0.0014 0.7886 0.8174\t\n339.0 5.85E-21 0.2794\t0.0000 0.5405 0.1200 0.0013 0.7773 0.8211\t\n340.0 5.53E-21 0.2762\t0.0000 0.5471 0.1133 0.0012 0.7656 0.8245\t\n341.0 5.63E-21 0.2735\t0.0000 0.5529 0.1069 0.0011 0.7534 0.8275\t\n342.0 5.10E-21 0.2711\t0.0000 0.5578 0.1006 0.0010 0.7407 0.8299\t\n343.0 4.99E-21 0.2692\t0.0000 0.5619 0.0945 0.0009 0.7276 0.8319\t\n344.0 6.49E-21 0.2676\t0.0000 0.5650 0.0886 0.0008 0.7140 0.8334\t\n345.0 6.24E-21 0.2663\t0.0000 0.5672 0.0830 0.0007 0.6999 0.8343\t\n346.0 7.33E-21 0.2654\t0.0000 0.5686 0.0776 0.0007 0.6854 0.8346\t\n347.0 6.31E-21 0.2647\t0.0000 0.5690 0.0724 0.0006 0.6705 0.8343\t\n348.0 6.04E-21 0.2643\t0.0000 0.5686 0.0675 0.0005 0.6551 0.8334\t\n349.0 4.15E-21 0.2641\t0.0000 0.5672 0.0628 0.0005 0.6393 0.8318\t\n350.0 3.91E-21 0.2640\t0.0000 0.5651 0.0583 0.0004 0.6232 0.8296\t\n351.0 3.95E-21 0.2641\t0.0000 0.5621 0.0541 0.0004 0.6067 0.8266\t\n352.0 4.23E-21 0.2643\t0.0000 0.5583 0.0501 0.0004 0.5898 0.8230\t\n353.0 4.15E-21 0.2646\t0.0000 0.5537 0.0463 0.0003 0.5727 0.8187\t\n354.0 4.03E-21 0.2649\t0.0000 0.5485 0.0427 0.0003 0.5553 0.8136\t\n355.0 4.22E-21 0.2652\t0.0000 0.5425 0.0394 0.0003 0.5377 0.8079\t\n356.0 4.43E-21 0.2654\t0.0000 0.5359 0.0363 0.0002 0.5199 0.8015\t\n357.0 4.31E-21 0.2655\t0.0000 0.5286 0.0333 0.0002 0.5020 0.7944\t\n358.0 4.71E-21 0.2656\t0.0000 0.5208 0.0306 0.0002 0.4840 0.7866\t\n359.0 5.03E-21 0.2655\t0.0000 0.5125 0.0281 0.0002 0.4660 0.7781\t\n360.0 5.46E-21 0.2652\t0.0000 0.5037 0.0257 0.0002 0.4480 0.7690\t\n361.0 6.27E-21 0.2647\t0.0000 0.4945 0.0235 0.0001 0.4301 0.7593\t\n362.0 7.06E-21 0.2640\t0.0000 0.4849 0.0215 0.0001 0.4122 0.7490\t\n363.0 6.39E-21 0.2631\t0.0000 0.4749 0.0196 0.0001 0.3945 0.7381\t\n364.0 6.80E-21 0.2620\t0.0000 0.4647 0.0179 0.0001 0.3770 0.7267\t\n365.0 6.65E-21 0.2606\t0.0000 0.4542 0.0163 0.0001 0.3598 0.7148\t\n366.0 7.43E-21 0.2589\t0.0000 0.4435 0.0148 0.0001 0.3428 0.7025\t\n367.0 8.60E-21 0.2570\t0.0000 0.4326 0.0135 0.0001 0.3262 0.6897\t\n368.0 1.01E-20 0.2548\t0.0000 0.4216 0.0122 0.0001 0.3100 0.6765\t\n369.0 1.06E-20 0.2524\t0.0000 0.4105 0.0111 0.0001 0.2941 0.6629\t\n370.0 1.14E-20 0.2497\t0.0000 0.3994 0.0100 0.0000 0.2787 0.6491\t\n371.0 1.19E-20 0.2467\t0.0000 0.3882 0.0091 0.0000 0.2637 0.6350\t\n372.0 1.14E-20 0.2436\t0.0000 0.3770 0.0082 0.0000 0.2492 0.6206\t\n373.0 1.21E-20 0.2401\t0.0000 0.3659 0.0074 0.0000 0.2351 0.6061\t\n374.0 1.35E-20 0.2365\t0.0000 0.3549 0.0067 0.0000 0.2216 0.5914\t\n375.0 1.33E-20 0.2327\t0.0000 0.3439 0.0061 0.0000 0.2086 0.5766\t\n376.0 1.38E-20 0.2287\t0.0000 0.3330 0.0055 0.0000 0.1962 0.5618\t\n377.0 1.47E-20 0.2246\t0.0000 0.3223 0.0049 0.0000 0.1842 0.5469\t\n378.0 1.61E-20 0.2203\t0.0000 0.3117 0.0044 0.0000 0.1728 0.5320\t\n379.0 1.53E-20 0.2158\t0.0000 0.3014 0.0040 0.0000 0.1619 0.5172\t\n380.0 1.93E-20 0.2112\t0.0000 0.2911 0.0036 0.0000 0.1516 0.5024\t\n381.0 2.46E-20 0.2066\t0.0000 0.2811 0.0032 0.0000 0.1417 0.4877\t\n382.0 2.02E-20 0.2018\t0.0000 0.2713 0.0029 0.0000 0.1324 0.4731\t\n383.0 2.07E-20 0.1970\t0.0000 0.2617 0.0026 0.0000 0.1235 0.4587\t\n384.0 1.94E-20 0.1921\t0.0000 0.2523 0.0023 0.0000 0.1152 0.4444\t\n385.0 1.89E-20 0.1872\t0.0000 0.2431 0.0021 0.0000 0.1073 0.4304\t\n386.0 1.84E-20 0.1823\t0.0000 0.2342 0.0019 0.0000 0.0998 0.4165\t\n387.0 2.29E-20 0.1773\t0.0000 0.2255 0.0017 0.0000 0.0928 0.4028\t\n388.0 3.00E-20 0.1723\t0.0000 0.2170 0.0015 0.0000 0.0862 0.3893\t\n389.0 3.21E-20 0.1674\t0.0000 0.2087 0.0014 0.0000 0.0799 0.3760\t\n390.0 3.48E-20 0.1624\t0.0000 0.2006 0.0012 0.0000 0.0741 0.3630\t\n391.0 3.92E-20 0.1574\t0.0000 0.1927 0.0011 0.0000 0.0686 0.3502\t\n392.0 3.80E-20 0.1525\t0.0000 0.1850 0.0010 0.0000 0.0634 0.3375\t\n393.0 2.85E-20 0.1475\t0.0000 0.1775 0.0009 0.0000 0.0585 0.3251\t\n394.0 3.15E-20 0.1426\t0.0000 0.1702 0.0008 0.0000 0.0539 0.3128\t\n395.0 3.86E-20 0.1377\t0.0000 0.1630 0.0007 0.0000 0.0496 0.3006\t\n396.0 3.68E-20 0.1327\t0.0000 0.1559 0.0006 0.0000 0.0455 0.2886\t\n397.0 3.36E-20 0.1277\t0.0000 0.1489 0.0005 0.0000 0.0416 0.2766\t\n398.0 4.32E-20 0.1227\t0.0000 0.1420 0.0005 0.0000 0.0379 0.2647\t\n399.0 4.35E-20 0.1176\t0.0000 0.1350 0.0004 0.0000 0.0344 0.2527\t\n400.0 3.87E-20 0.1124\t0.0000 0.1281 0.0004 0.0000 0.0311 0.2406\t\n401.0 4.46E-20 0.1071\t0.0000 0.1212 0.0003 0.0000 0.0279 0.2283\t\n402.0 5.84E-20 0.1017\t0.0000 0.1141 0.0003 0.0000 0.0248 0.2158\t\n403.0 7.16E-20 0.0961\t0.0000 0.1070 0.0003 0.0000 0.0219 0.2031\t\n404.0 6.24E-20 0.0902\t0.0000 0.0997 0.0002 0.0000 0.0191 0.1900\t\n405.0 4.49E-20 0.0842\t0.0000 0.0923 0.0002 0.0000 0.0164 0.1766\t\n406.0 4.48E-20 0.0780\t0.0000 0.0848 0.0002 0.0000 0.0139 0.1628\t\n407.0 4.07E-20 0.0715\t0.0000 0.0772 0.0001 0.0000 0.0115 0.1488\t\n408.0 3.44E-20 0.0650\t0.0000 0.0696 0.0001 0.0000 0.0094 0.1345\t\n409.0 4.01E-20 0.0583\t0.0000 0.0620 0.0001 0.0000 0.0075 0.1203\t\n410.0 5.66E-20 0.0517\t0.0000 0.0545 0.0001 0.0000 0.0058 0.1063\t\n411.0 7.22E-20 0.0453\t0.0000 0.0474 0.0001 0.0000 0.0044 0.0927\t\n412.0 7.41E-20 0.0391\t0.0000 0.0407 0.0001 0.0000 0.0033 0.0798\t\n413.0 1.08E-19 0.0333\t0.0000 0.0344 0.0000 0.0000 0.0023 0.0678\t\n414.0 1.01E-19 0.0280\t0.0000 0.0288 0.0000 0.0000 0.0016 0.0568\t\n415.0 1.02E-19 0.0233\t0.0000 0.0238 0.0000 0.0000 0.0011 0.0471\t\n416.0 6.07E-20 0.0191\t0.0000 0.0194 0.0000 0.0000 0.0008 0.0386\t\n417.0 6.83E-20 0.0155\t0.0000 0.0157 0.0000 0.0000 0.0005 0.0313\t\n418.0 7.87E-20 0.0125\t0.0000 0.0126 0.0000 0.0000 0.0003 0.0251\t\n419.0 9.13E-20 0.0100\t0.0000 0.0101 0.0000 0.0000 0.0002 0.0200\t\n420.0 5.60E-20 0.0079\t0.0000 0.0080 0.0000 0.0000 0.0001 0.0159\t\n421.0 7.19E-20 0.0062\t0.0000 0.0063 0.0000 0.0000 0.0001 0.0125\t\n422.0 6.99E-20 0.0049\t0.0000 0.0049 0.0000 0.0000 0.0000 0.0098\t\n423.0 1.30E-19 0.0038\t0.0000 0.0038 0.0000 0.0000 0.0000 0.0076\t\n424.0 8.24E-20 0.0030\t0.0000 0.0030 0.0000 0.0000 0.0000 0.0059\t\n425.0 1.04E-19 0.0023\t0.0000 0.0023 0.0000 0.0000 0.0000 0.0046\t\n426.0 1.64E-19 0.0018\t0.0000 0.0018 0.0000 0.0000 0.0000 0.0035\t\n427.0 1.61E-19 0.0014\t0.0000 0.0014 0.0000 0.0000 0.0000 0.0027\t\n428.0 2.14E-19 0.0010\t0.0000 0.0010 0.0000 0.0000 0.0000 0.0021\t\n429.0 6.50E-20 0.0008\t0.0000 0.0008 0.0000 0.0000 0.0000 0.0016\t\n430.0 7.03E-20 0.0006\t0.0000 0.0006 0.0000 0.0000 0.0000 0.0012\t\n431.0 6.52E-20 0.0005\t0.0000 0.0005 0.0000 0.0000 0.0000 0.0009\t\n432.0 6.08E-20 0.0003\t0.0000 0.0003 0.0000 0.0000 0.0000 0.0007\t\n433.0 5.66E-20 0.0003\t0.0000 0.0003 0.0000 0.0000 0.0000 0.0005\t\n434.0 6.81E-20 0.0002\t0.0000 0.0002 0.0000 0.0000 0.0000 0.0004\t\n435.0 7.66E-20 0.0001\t0.0000 0.0001 0.0000 0.0000 0.0000 0.0003\t\n436.0 1.32E-19 0.0001\t0.0000 0.0001 0.0000 0.0000 0.0000 0.0002\t\n437.0 9.19E-20 0.0001\t0.0000 0.0001 0.0000 0.0000 0.0000 0.0001\t\n438.0 1.38E-19 0.0001\t0.0000 0.0001 0.0000 0.0000 0.0000 0.0001\t\n439.0 1.21E-19 0.0000\t0.0000 0.0000 0.0000 0.0000 0.0000 0.0001\t\n440.0 2.59E-19 0.0000\t0.0000 0.0000 0.0000 0.0000 0.0000 0.0001\t\n441.0 1.31E-19 0.0000\t0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t\n442.0 9.01E-20 0.0000\t0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t\n443.0 1.11E-19 0.0000\t0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t\n444.0 1.35E-19 0.0000\t0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t\n445.0 1.51E-19 0.0000\t0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t\n446.0 7.82E-20 0.0000\t0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t\n447.0 3.73E-20 0.0000\t0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t\n448.0 4.14E-20 0.0000\t0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t\n449.0 5.53E-20 0.0000\t0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t\n450.0 8.68E-20 0.0000\t0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t\n451.0 1.38E-19 0.0000\t0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t\n452.0 1.59E-19 0.0000\t0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t\n453.0 3.04E-19 0.0000\t0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t\n454.0 2.69E-19 0.0000\t0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t\n455.0 5.20E-19 0.0000\t0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t\n456.0 1.57E-19 0.0000\t0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t\n457.0 2.66E-20 0.0000\t0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t\n458.0 2.20E-20 0.0000\t0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t\n459.0 9.02E-21 0.0000\t0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t\n460.0 1.20E-20 0.0000\t0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t\n461.0 8.83E-21 0.0000\t0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t\n462.0 5.88E-21 0.0000\t0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t\n463.0 3.22E-21 0.0000\t0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t\n464.0 3.39E-21 0.0000\t0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t\n465.0 3.30E-21 0.0000\t0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t\n466.0 4.16E-21 0.0000\t0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t\n467.0 5.22E-21 0.0000\t0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t\n468.0 1.49E-21 0.0000\t0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t\n469.0 9.10E-22 0.0000\t0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t\n470.0 7.60E-22 0.0000\t0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t\n471.0 8.60E-22 0.0000\t0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t\n472.0 9.20E-22 0.0000\t0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t\n473.0 1.10E-21 0.0000\t0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/GLY_H2_MCMv32", "content": "GLY_H2_MCMv32\n!Glyoxal (CHOCHO) channel quantum yields (1 bar, 298 K) \n!Rate sums quantum yields of phi2 and phi5 channels\n!CHOCHO--->2HCO\n!CHOCHO--->2H+2CHO\n!http://iupac.pole-ether.fr/htdocs/datasheets/pdf/P4_(CHO)2+hv.pdf\n!Dated: May 2013\n! \n!phi1 = H2 + 2CO\n!phi2 = HCO + HCO\n!phi3 = HCHO + CO\n!phi4 = HCO+CO+H\n!phi5 = 2H+2CO\n!phi6 = TOTAL\n!\n! \n!wvl XCROSS H2+2CO 2HCO HCHO+CO HCO+CO+H 2H+2CO Total \nPoints (the mechanism evaluated with this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n250.0 1.73E-20 0.0000 0.0034 0.3550 0.3888 0.2527 0.9999\t \n251.0 1.52E-20 0.0000 0.0037 0.3570 0.3887 0.2505 0.9999\t \n252.0 1.48E-20 0.0000 0.0039 0.3591 0.3887 0.2483 0.9999\t \n253.0 1.55E-20 0.0000 0.0042 0.3613 0.3886 0.2459 0.9999\t \n254.0 1.60E-20 0.0000 0.0045 0.3637 0.3884 0.2433 0.9998\t \n255.0 1.67E-20 0.0000 0.0049 0.3662 0.3883 0.2405 0.9998\t \n256.0 1.62E-20 0.0000 0.0052 0.3689 0.3882 0.2376 0.9998\t \n257.0 1.81E-20 0.0000 0.0056 0.3717 0.3881 0.2345 0.9998\t \n258.0 1.82E-20 0.0000 0.0060 0.3747 0.3879 0.2313 0.9997\t \n259.0 1.85E-20 0.0000 0.0065 0.3779 0.3878 0.2278 0.9997\t \n260.0 1.83E-20 0.0000 0.0069 0.3812 0.3876 0.2242 0.9997\t \n261.0 1.96E-20 0.0000 0.0074 0.3847 0.3874 0.2204 0.9996\t \n262.0 2.03E-20 0.0000 0.0080 0.3883 0.3872 0.2164 0.9996\t \n263.0 2.14E-20 0.0000 0.0086 0.3921 0.3870 0.2122 0.9995\t \n264.0 2.18E-20 0.0000 0.0092 0.3961 0.3868 0.2078 0.9995\t \n265.0 2.26E-20 0.0000 0.0099 0.4002 0.3865 0.2032 0.9994\t \n266.0 2.33E-20 0.0000 0.0106 0.4045 0.3863 0.1985 0.9994\t \n267.0 2.37E-20 0.0000 0.0113 0.4089 0.3860 0.1936 0.9993\t \n268.0 2.36E-20 0.0000 0.0122 0.4134 0.3857 0.1885 0.9992\t \n269.0 2.48E-20 0.0000 0.0130 0.4180 0.3854 0.1833 0.9991\t \n270.0 2.51E-20 0.0000 0.0140 0.4227 0.3850 0.1780 0.9990\t \n271.0 2.61E-20 0.0000 0.0150 0.4275 0.3847 0.1725 0.9989\t \n272.0 2.72E-20 0.0000 0.0161 0.4324 0.3843 0.1669 0.9988\t \n273.0 2.81E-20 0.0000 0.0172 0.4373 0.3838 0.1613 0.9986\t \n274.0 2.92E-20 0.0000 0.0185 0.4422 0.3834 0.1555 0.9985\t \n275.0 3.00E-20 0.0000 0.0198 0.4471 0.3829 0.1497 0.9983\t \n276.0 3.06E-20 0.0000 0.0212 0.4520 0.3823 0.1439 0.9981\t \n277.0 3.09E-20 0.0000 0.0227 0.4568 0.3818 0.1381 0.9979\t \n278.0 3.08E-20 0.0000 0.0244 0.4615 0.3812 0.1322 0.9977\t \n279.0 3.09E-20 0.0000 0.0261 0.4662 0.3805 0.1264 0.9975\t \n280.0 3.14E-20 0.0000 0.0280 0.4707 0.3798 0.1206 0.9972\t \n281.0 3.22E-20 0.0000 0.0300 0.4751 0.3790 0.1149 0.9969\t \n282.0 3.32E-20 0.0000 0.0321 0.4792 0.3782 0.1093 0.9966\t \n283.0 3.46E-20 0.0000 0.0344 0.4832 0.3774 0.1038 0.9962\t \n284.0 3.57E-20 0.0000 0.0368 0.4870 0.3764 0.0984 0.9958\t \n285.0 3.67E-20 0.0000 0.0394 0.4905 0.3754 0.0931 0.9954\t \n286.0 3.80E-20 0.0000 0.0421 0.4938 0.3744 0.0880 0.9950\t \n287.0 3.79E-20 0.0000 0.0451 0.4968 0.3732 0.0830 0.9945\t \n288.0 3.81E-20 0.0000 0.0482 0.4995 0.3720 0.0782 0.9939\t \n289.0 3.80E-20 0.0000 0.0515 0.5019 0.3707 0.0736 0.9934\t \n290.0 3.73E-20 0.0000 0.0551 0.5040 0.3693 0.0692 0.9927\t \n291.0 3.64E-20 0.0000 0.0589 0.5057 0.3678 0.0649 0.9920\t \n292.0 3.65E-20 0.0000 0.0629 0.5071 0.3663 0.0608 0.9913\t \n293.0 3.68E-20 0.0000 0.0672 0.5081 0.3646 0.0569 0.9905\t \n294.0 3.73E-20 0.0000 0.0717 0.5088 0.3628 0.0532 0.9896\t \n295.0 3.81E-20 0.0000 0.0765 0.5091 0.3608 0.0497 0.9887\t \n296.0 3.82E-20 0.0000 0.0816 0.5090 0.3588 0.0463 0.9876\t \n297.0 3.92E-20 0.0000 0.0870 0.5086 0.3566 0.0432 0.9866\t \n298.0 4.07E-20 0.0000 0.0928 0.5078 0.3543 0.0402 0.9854\t \n299.0 4.12E-20 0.0000 0.0988 0.5066 0.3518 0.0374 0.9841\t \n300.0 4.05E-20 0.0000 0.1052 0.5050 0.3492 0.0347 0.9827\t \n301.0 3.91E-20 0.0000 0.1120 0.5030 0.3465 0.0322 0.9813\t \n302.0 3.78E-20 0.0000 0.1191 0.5006 0.3435 0.0299 0.9797\t \n303.0 3.57E-20 0.0000 0.1265 0.4979 0.3404 0.0277 0.9780\t \n304.0 3.35E-20 0.0000 0.1344 0.4947 0.3372 0.0257 0.9762\t \n305.0 3.24E-20 0.0000 0.1427 0.4912 0.3337 0.0238 0.9743\t \n306.0 3.22E-20 0.0000 0.1513 0.4874 0.3301 0.0220 0.9722\t \n307.0 3.20E-20 0.0000 0.1604 0.4831 0.3262 0.0203 0.9700\t \n308.0 3.15E-20 0.0000 0.1698 0.4785 0.3222 0.0188 0.9677\t \n309.0 3.12E-20 0.0000 0.1797 0.4736 0.3180 0.0174 0.9652\t \n310.0 3.10E-20 0.0000 0.1899 0.4683 0.3135 0.0160 0.9626\t \n311.0 3.22E-20 0.0000 0.2006 0.4627 0.3089 0.0148 0.9598\t \n312.0 3.34E-20 0.0000 0.2117 0.4568 0.3040 0.0136 0.9568\t \n313.0 3.39E-20 0.0000 0.2231 0.4505 0.2989 0.0126 0.9536\t \n314.0 3.23E-20 0.0000 0.2349 0.4441 0.2936 0.0116 0.9502\t \n315.0 2.81E-20 0.0000 0.2471 0.4373 0.2881 0.0106 0.9467\t \n316.0 2.65E-20 0.0000 0.2595 0.4303 0.2824 0.0098 0.9429\t \n317.0 2.46E-20 0.0000 0.2723 0.4232 0.2765 0.0090 0.9389\t \n318.0 2.21E-20 0.0000 0.2854 0.4158 0.2704 0.0083 0.9347\t \n319.0 1.93E-20 0.0000 0.2987 0.4083 0.2641 0.0076 0.9303\t \n320.0 1.85E-20 0.0000 0.3123 0.4007 0.2576 0.0070 0.9257\t \n321.0 1.89E-20 0.0000 0.3260 0.3930 0.2509 0.0064 0.9207\t \n322.0 1.77E-20 0.0000 0.3398 0.3852 0.2441 0.0059 0.9156\t \n323.0 1.72E-20 0.0000 0.3537 0.3774 0.2372 0.0054 0.9101\t \n324.0 1.68E-20 0.0000 0.3676 0.3696 0.2300 0.0050 0.9044\t \n325.0 1.60E-20 0.0000 0.3815 0.3619 0.2228 0.0045 0.8984\t \n326.0 1.61E-20 0.0000 0.3953 0.3543 0.2155 0.0042 0.8921\t \n327.0 1.70E-20 0.0000 0.4090 0.3469 0.2081 0.0038 0.8854\t \n328.0 1.94E-20 0.0000 0.4225 0.3396 0.2006 0.0035 0.8785\t \n329.0 1.86E-20 0.0000 0.4357 0.3325 0.1931 0.0032 0.8712\t \n330.0 1.69E-20 0.0000 0.4486 0.3256 0.1855 0.0029 0.8636\t \n331.0 1.13E-20 0.0000 0.4611 0.3191 0.1780 0.0027 0.8556\t \n332.0 1.05E-20 0.0000 0.4731 0.3128 0.1705 0.0024 0.8473\t \n333.0 9.66E-21 0.0000 0.4847 0.3069 0.1630 0.0022 0.8385\t \n334.0 9.19E-21 0.0000 0.4957 0.3013 0.1555 0.0020 0.8294\t \n335.0 7.37E-21 0.0000 0.5060 0.2961 0.1482 0.0019 0.8198\t \n336.0 6.30E-21 0.0000 0.5157 0.2913 0.1409 0.0017 0.8099\t \n337.0 5.89E-21 0.0000 0.5248 0.2869 0.1338 0.0015 0.7995\t \n338.0 6.47E-21 0.0000 0.5330 0.2829 0.1268 0.0014 0.7886\t \n339.0 5.85E-21 0.0000 0.5405 0.2794 0.1200 0.0013 0.7773\t \n340.0 5.53E-21 0.0000 0.5471 0.2762 0.1133 0.0012 0.7656\t \n341.0 5.63E-21 0.0000 0.5529 0.2735 0.1069 0.0011 0.7534\t \n342.0 5.10E-21 0.0000 0.5578 0.2711 0.1006 0.0010 0.7407\t \n343.0 4.99E-21 0.0000 0.5619 0.2692 0.0945 0.0009 0.7276\t \n344.0 6.49E-21 0.0000 0.5650 0.2676 0.0886 0.0008 0.7140\t \n345.0 6.24E-21 0.0000 0.5672 0.2663 0.0830 0.0007 0.6999\t \n346.0 7.33E-21 0.0000 0.5686 0.2654 0.0776 0.0007 0.6854\t \n347.0 6.31E-21 0.0000 0.5690 0.2647 0.0724 0.0006 0.6705\t \n348.0 6.04E-21 0.0000 0.5686 0.2643 0.0675 0.0005 0.6551\t \n349.0 4.15E-21 0.0000 0.5672 0.2641 0.0628 0.0005 0.6393\t \n350.0 3.91E-21 0.0000 0.5651 0.2640 0.0583 0.0004 0.6232\t \n351.0 3.95E-21 0.0000 0.5621 0.2641 0.0541 0.0004 0.6067\t \n352.0 4.23E-21 0.0000 0.5583 0.2643 0.0501 0.0004 0.5898\t \n353.0 4.15E-21 0.0000 0.5537 0.2646 0.0463 0.0003 0.5727\t \n354.0 4.03E-21 0.0000 0.5485 0.2649 0.0427 0.0003 0.5553\t \n355.0 4.22E-21 0.0000 0.5425 0.2652 0.0394 0.0003 0.5377\t \n356.0 4.43E-21 0.0000 0.5359 0.2654 0.0363 0.0002 0.5199\t \n357.0 4.31E-21 0.0000 0.5286 0.2655 0.0333 0.0002 0.5020\t \n358.0 4.71E-21 0.0000 0.5208 0.2656 0.0306 0.0002 0.4840\t \n359.0 5.03E-21 0.0000 0.5125 0.2655 0.0281 0.0002 0.4660\t \n360.0 5.46E-21 0.0000 0.5037 0.2652 0.0257 0.0002 0.4480\t \n361.0 6.27E-21 0.0000 0.4945 0.2647 0.0235 0.0001 0.4301\t \n362.0 7.06E-21 0.0000 0.4849 0.2640 0.0215 0.0001 0.4122\t \n363.0 6.39E-21 0.0000 0.4749 0.2631 0.0196 0.0001 0.3945\t \n364.0 6.80E-21 0.0000 0.4647 0.2620 0.0179 0.0001 0.3770\t \n365.0 6.65E-21 0.0000 0.4542 0.2606 0.0163 0.0001 0.3598\t \n366.0 7.43E-21 0.0000 0.4435 0.2589 0.0148 0.0001 0.3428\t \n367.0 8.60E-21 0.0000 0.4326 0.2570 0.0135 0.0001 0.3262\t \n368.0 1.01E-20 0.0000 0.4216 0.2548 0.0122 0.0001 0.3100\t \n369.0 1.06E-20 0.0000 0.4105 0.2524 0.0111 0.0001 0.2941\t \n370.0 1.14E-20 0.0000 0.3994 0.2497 0.0100 0.0000 0.2787\t \n371.0 1.19E-20 0.0000 0.3882 0.2467 0.0091 0.0000 0.2637\t \n372.0 1.14E-20 0.0000 0.3770 0.2436 0.0082 0.0000 0.2492\t \n373.0 1.21E-20 0.0000 0.3659 0.2401 0.0074 0.0000 0.2351\t \n374.0 1.35E-20 0.0000 0.3549 0.2365 0.0067 0.0000 0.2216\t \n375.0 1.33E-20 0.0000 0.3439 0.2327 0.0061 0.0000 0.2086\t \n376.0 1.38E-20 0.0000 0.3330 0.2287 0.0055 0.0000 0.1962\t \n377.0 1.47E-20 0.0000 0.3223 0.2246 0.0049 0.0000 0.1842\t \n378.0 1.61E-20 0.0000 0.3117 0.2203 0.0044 0.0000 0.1728\t \n379.0 1.53E-20 0.0000 0.3014 0.2158 0.0040 0.0000 0.1619\t \n380.0 1.93E-20 0.0000 0.2911 0.2112 0.0036 0.0000 0.1516\t \n381.0 2.46E-20 0.0000 0.2811 0.2066 0.0032 0.0000 0.1417\t \n382.0 2.02E-20 0.0000 0.2713 0.2018 0.0029 0.0000 0.1324\t \n383.0 2.07E-20 0.0000 0.2617 0.1970 0.0026 0.0000 0.1235\t \n384.0 1.94E-20 0.0000 0.2523 0.1921 0.0023 0.0000 0.1152\t \n385.0 1.89E-20 0.0000 0.2431 0.1872 0.0021 0.0000 0.1073\t \n386.0 1.84E-20 0.0000 0.2342 0.1823 0.0019 0.0000 0.0998\t \n387.0 2.29E-20 0.0000 0.2255 0.1773 0.0017 0.0000 0.0928\t \n388.0 3.00E-20 0.0000 0.2170 0.1723 0.0015 0.0000 0.0862\t \n389.0 3.21E-20 0.0000 0.2087 0.1674 0.0014 0.0000 0.0799\t \n390.0 3.48E-20 0.0000 0.2006 0.1624 0.0012 0.0000 0.0741\t \n391.0 3.92E-20 0.0000 0.1927 0.1574 0.0011 0.0000 0.0686\t \n392.0 3.80E-20 0.0000 0.1850 0.1525 0.0010 0.0000 0.0634\t \n393.0 2.85E-20 0.0000 0.1775 0.1475 0.0009 0.0000 0.0585\t \n394.0 3.15E-20 0.0000 0.1702 0.1426 0.0008 0.0000 0.0539\t \n395.0 3.86E-20 0.0000 0.1630 0.1377 0.0007 0.0000 0.0496\t \n396.0 3.68E-20 0.0000 0.1559 0.1327 0.0006 0.0000 0.0455\t \n397.0 3.36E-20 0.0000 0.1489 0.1277 0.0005 0.0000 0.0416\t \n398.0 4.32E-20 0.0000 0.1420 0.1227 0.0005 0.0000 0.0379\t \n399.0 4.35E-20 0.0000 0.1350 0.1176 0.0004 0.0000 0.0344\t \n400.0 3.87E-20 0.0000 0.1281 0.1124 0.0004 0.0000 0.0311\t \n401.0 4.46E-20 0.0000 0.1212 0.1071 0.0003 0.0000 0.0279\t \n402.0 5.84E-20 0.0000 0.1141 0.1017 0.0003 0.0000 0.0248\t \n403.0 7.16E-20 0.0000 0.1070 0.0961 0.0003 0.0000 0.0219\t \n404.0 6.24E-20 0.0000 0.0997 0.0902 0.0002 0.0000 0.0191\t \n405.0 4.49E-20 0.0000 0.0923 0.0842 0.0002 0.0000 0.0164\t \n406.0 4.48E-20 0.0000 0.0848 0.0780 0.0002 0.0000 0.0139\t \n407.0 4.07E-20 0.0000 0.0772 0.0715 0.0001 0.0000 0.0115\t \n408.0 3.44E-20 0.0000 0.0696 0.0650 0.0001 0.0000 0.0094\t \n409.0 4.01E-20 0.0000 0.0620 0.0583 0.0001 0.0000 0.0075\t \n410.0 5.66E-20 0.0000 0.0545 0.0517 0.0001 0.0000 0.0058\t \n411.0 7.22E-20 0.0000 0.0474 0.0453 0.0001 0.0000 0.0044\t \n412.0 7.41E-20 0.0000 0.0407 0.0391 0.0001 0.0000 0.0033\t \n413.0 1.08E-19 0.0000 0.0344 0.0333 0.0000 0.0000 0.0023\t \n414.0 1.01E-19 0.0000 0.0288 0.0280 0.0000 0.0000 0.0016\t \n415.0 1.02E-19 0.0000 0.0238 0.0233 0.0000 0.0000 0.0011\t \n416.0 6.07E-20 0.0000 0.0194 0.0191 0.0000 0.0000 0.0008\t \n417.0 6.83E-20 0.0000 0.0157 0.0155 0.0000 0.0000 0.0005\t \n418.0 7.87E-20 0.0000 0.0126 0.0125 0.0000 0.0000 0.0003\t \n419.0 9.13E-20 0.0000 0.0101 0.0100 0.0000 0.0000 0.0002\t \n420.0 5.60E-20 0.0000 0.0080 0.0079 0.0000 0.0000 0.0001\t \n421.0 7.19E-20 0.0000 0.0063 0.0062 0.0000 0.0000 0.0001\t \n422.0 6.99E-20 0.0000 0.0049 0.0049 0.0000 0.0000 0.0000\t \n423.0 1.30E-19 0.0000 0.0038 0.0038 0.0000 0.0000 0.0000\t \n424.0 8.24E-20 0.0000 0.0030 0.0030 0.0000 0.0000 0.0000\t \n425.0 1.04E-19 0.0000 0.0023 0.0023 0.0000 0.0000 0.0000\t \n426.0 1.64E-19 0.0000 0.0018 0.0018 0.0000 0.0000 0.0000\t \n427.0 1.61E-19 0.0000 0.0014 0.0014 0.0000 0.0000 0.0000\t \n428.0 2.14E-19 0.0000 0.0010 0.0010 0.0000 0.0000 0.0000\t \n429.0 6.50E-20 0.0000 0.0008 0.0008 0.0000 0.0000 0.0000\t \n430.0 7.03E-20 0.0000 0.0006 0.0006 0.0000 0.0000 0.0000\t \n431.0 6.52E-20 0.0000 0.0005 0.0005 0.0000 0.0000 0.0000\t \n432.0 6.08E-20 0.0000 0.0003 0.0003 0.0000 0.0000 0.0000\t \n433.0 5.66E-20 0.0000 0.0003 0.0003 0.0000 0.0000 0.0000\t \n434.0 6.81E-20 0.0000 0.0002 0.0002 0.0000 0.0000 0.0000\t \n435.0 7.66E-20 0.0000 0.0001 0.0001 0.0000 0.0000 0.0000\t \n436.0 1.32E-19 0.0000 0.0001 0.0001 0.0000 0.0000 0.0000\t \n437.0 9.19E-20 0.0000 0.0001 0.0001 0.0000 0.0000 0.0000\t \n438.0 1.38E-19 0.0000 0.0001 0.0001 0.0000 0.0000 0.0000\t \n439.0 1.21E-19 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n440.0 2.59E-19 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n441.0 1.31E-19 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n442.0 9.01E-20 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n443.0 1.11E-19 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n444.0 1.35E-19 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n445.0 1.51E-19 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n446.0 7.82E-20 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n447.0 3.73E-20 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n448.0 4.14E-20 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n449.0 5.53E-20 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n450.0 8.68E-20 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n451.0 1.38E-19 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n452.0 1.59E-19 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n453.0 3.04E-19 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n454.0 2.69E-19 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n455.0 5.20E-19 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n456.0 1.57E-19 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n457.0 2.66E-20 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n458.0 2.20E-20 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n459.0 9.02E-21 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n460.0 1.20E-20 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n461.0 8.83E-21 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n462.0 5.88E-21 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n463.0 3.22E-21 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n464.0 3.39E-21 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n465.0 3.30E-21 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n466.0 4.16E-21 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n467.0 5.22E-21 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n468.0 1.49E-21 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n469.0 9.10E-22 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n470.0 7.60E-22 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n471.0 8.60E-22 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n472.0 9.20E-22 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n473.0 1.10E-21 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000\t \n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/GLY_R_IUPAC10", "content": "GLY_R_IUPAC10\n!GLY = 2 HO2 + 2 CO \n!j(GLY) IUPAC(2010) \n! From IUPAC Subcommittee on Gas Kinetic Data Evaluation \n! Data Sheet P4, updated 19th Dec, 2013\n!Glyoxal (CHOCHO) channel quantum yields (1 bar, 298 K) \n!Rate sums quantum yields of all nonzero channels because the species are\n!expected result from these channels if all HCHO is assumed to yield\n! 2HO2+2CO\n!\n!CHOCHO--->2HCO\n!CHOCHO--->2H+2CHO\n!CHOCHO--->HCO+CO+H\n!CHCHO ----> HCHO +CO --(assumed)--> 2HO + 2CO\n!\n!Cross-Section combines IUPAC (2013) recommendation (250-473 nm) and JPL 2011 (474-526 nm). \n! The latter comes from the URL:\n! http://satellite.mpic.de/spectral_atlas/cross_sections\n! accessed Feb. 12, 2016\n! Note that the JPL values are the same from 250 to 473 nm as IUPAC values\n!\n!Quantum Yields based on recommendation \n! http://iupac.pole-ether.fr/htdocs/datasheets/pdf/P4_(CHO)2+hv.pdf dated 2013 but \n! the IUPAC data sheet appears to incorrectly use the formula for\n! QY of total and individual channels derived in \n! Salter, R. J., Blitz, M. A., Heard, D. E., Pilling, M. J., Rickard, A. R. and \n! Seakins, P. W., Phys. Chem. Chem. Phys., 15, 6516, 2013.\n! (1) In IUPAC datasheet, the right side of the phi total equation should use the \n! reciprocal of pressure correction based on EQ6 in Salter et al. (2013)\n! (2) The IUPAC datasheet may have reversed B1 and B2 values in Table 3 in Salter et al.\n! (2013) for the individual\n! \n!Channel Possible: \n!phi1 = H2 + 2CO\n!phi2 = HCO + HCO\n!phi3 = HCHO + CO\n!phi4 = HCO+CO+H\n!phi5 = 2H+2CO\n!phi6 = TOTAL\n!These are point values \nPoints \n!wl(nm) XC(cm2) Total H2+2CO,2HCO,HCHO+CO,HCO+CO+H,2H+2CO \nFAC=1.0\n250.0 1.730E-20 1.000 0.000 0.003 0.355 0.389 0.253\n251.0 1.520E-20 1.000 0.000 0.004 0.357 0.389 0.251\n252.0 1.480E-20 1.000 0.000 0.004 0.359 0.389 0.248\n253.0 1.550E-20 1.000 0.000 0.004 0.361 0.389 0.246\n254.0 1.600E-20 1.000 0.000 0.005 0.364 0.388 0.243\n255.0 1.670E-20 1.000 0.000 0.005 0.366 0.388 0.241\n256.0 1.620E-20 1.000 0.000 0.005 0.369 0.388 0.238\n257.0 1.810E-20 1.000 0.000 0.006 0.372 0.388 0.235\n258.0 1.820E-20 1.000 0.000 0.006 0.375 0.388 0.231\n259.0 1.850E-20 1.000 0.000 0.006 0.378 0.388 0.228\n260.0 1.830E-20 1.000 0.000 0.007 0.381 0.388 0.224\n261.0 1.960E-20 1.000 0.000 0.007 0.385 0.387 0.220\n262.0 2.030E-20 1.000 0.000 0.008 0.388 0.387 0.216\n263.0 2.140E-20 1.000 0.000 0.009 0.392 0.387 0.212\n264.0 2.180E-20 1.000 0.000 0.009 0.396 0.387 0.208\n265.0 2.260E-20 1.000 0.000 0.010 0.400 0.387 0.203\n266.0 2.330E-20 1.000 0.000 0.011 0.404 0.386 0.198\n267.0 2.370E-20 0.999 0.000 0.011 0.409 0.386 0.194\n268.0 2.360E-20 0.999 0.000 0.012 0.413 0.386 0.189\n269.0 2.480E-20 0.999 0.000 0.013 0.418 0.385 0.183\n270.0 2.510E-20 0.999 0.000 0.014 0.422 0.385 0.178\n271.0 2.610E-20 0.999 0.000 0.015 0.427 0.385 0.173\n272.0 2.720E-20 0.999 0.000 0.016 0.432 0.384 0.167\n273.0 2.810E-20 0.999 0.000 0.017 0.437 0.384 0.161\n274.0 2.920E-20 0.999 0.000 0.018 0.442 0.383 0.156\n275.0 3.000E-20 0.999 0.000 0.020 0.446 0.383 0.150\n276.0 3.060E-20 0.999 0.000 0.021 0.451 0.382 0.144\n277.0 3.090E-20 0.999 0.000 0.023 0.456 0.382 0.138\n278.0 3.080E-20 0.998 0.000 0.024 0.461 0.381 0.132\n279.0 3.090E-20 0.998 0.000 0.026 0.465 0.381 0.126\n280.0 3.140E-20 0.998 0.000 0.028 0.470 0.380 0.121\n281.0 3.220E-20 0.998 0.000 0.030 0.474 0.379 0.115\n282.0 3.320E-20 0.998 0.000 0.032 0.478 0.378 0.109\n283.0 3.460E-20 0.997 0.000 0.034 0.482 0.377 0.104\n284.0 3.570E-20 0.997 0.000 0.037 0.486 0.376 0.098\n285.0 3.670E-20 0.997 0.000 0.039 0.489 0.375 0.093\n286.0 3.800E-20 0.997 0.000 0.042 0.492 0.374 0.088\n287.0 3.790E-20 0.996 0.000 0.045 0.495 0.373 0.083\n288.0 3.810E-20 0.996 0.000 0.048 0.497 0.372 0.078\n289.0 3.800E-20 0.996 0.000 0.052 0.500 0.371 0.074\n290.0 3.730E-20 0.995 0.000 0.055 0.502 0.369 0.069\n291.0 3.640E-20 0.995 0.000 0.059 0.503 0.368 0.065\n292.0 3.650E-20 0.994 0.000 0.063 0.504 0.366 0.061\n293.0 3.680E-20 0.994 0.000 0.067 0.505 0.365 0.057\n294.0 3.730E-20 0.993 0.000 0.072 0.505 0.363 0.053\n295.0 3.810E-20 0.992 0.000 0.077 0.505 0.361 0.050\n296.0 3.820E-20 0.992 0.000 0.082 0.505 0.359 0.046\n297.0 3.920E-20 0.991 0.000 0.087 0.504 0.357 0.043\n298.0 4.070E-20 0.990 0.000 0.093 0.503 0.354 0.040\n299.0 4.120E-20 0.989 0.000 0.099 0.501 0.352 0.037\n300.0 4.050E-20 0.989 0.000 0.105 0.499 0.349 0.035\n301.0 3.910E-20 0.988 0.000 0.112 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"UTIL/inline_phot_preproc/photolysis_CSQY_data/GLY_R_IUPAC13", "content": "GLY_R_IUPAC10\n!GLY = 2 HO2 + 2 CO \n!j(GLY) IUPAC(2013) \n! From IUPAC Subcommittee on Gas Kinetic Data Evaluation \n! Data Sheet P4, updated 19th Dec, 2013\n!Glyoxal (CHOCHO) channel quantum yields (1 bar, 298 K) \n!Rate sums quantum yields of all nonzero channels because the species are\n!expected result from these channels if all HCHO is assumed to yield\n! 2HO2+2CO\n!\n!CHOCHO--->2HCO\n!CHOCHO--->2H+2CO\n!CHOCHO--->HCO+CO+H\n!Cross-Section combines IUPAC (2013) recommendation (250-473 nm) and JPL 2011 (474-526 nm). \n! The latter comes from the URL:\n! http://satellite.mpic.de/spectral_atlas/cross_sections\n! accessed Feb. 12, 2016\n! Note that the JPL values are the same from 250 to 473 nm as IUPAC values\n!\n!Quantum Yields based on recommendation \n! http://iupac.pole-ether.fr/htdocs/datasheets/pdf/P4_(CHO)2+hv.pdf dated 2013 but \n! the IUPAC data sheet appears to incorrectly use the formula for\n! QY of total and individual channels derived in \n! Salter, R. J., Blitz, M. A., Heard, D. E., Pilling, M. J., Rickard, A. R. and \n! Seakins, P. W., Phys. Chem. Chem. Phys., 15, 6516, 2013.\n! (1) In IUPAC datasheet, the right side of the phi total equation should use the \n! reciprocal of pressure correction based on EQ6 in Salter et al. (2013)\n! (2) The IUPAC datasheet may have reversed B1 and B2 values in Table 3 in Salter et al.\n! (2013) for the individual\n! \n!Channel Possible: \n!phi1 = H2 + 2CO\n!phi2 = HCO + HCO\n!phi3 = HCHO + CO\n!phi4 = HCO+CO+H\n!phi5 = 2H+2CO\n!phi6 = TOTAL\n!These are point values \nPoints \n!wl(nm) XC(cm2) Total 2HO2+2CO,sum(phi2+phi4+phi5) \nFAC=1.0\n200.0 1.725E-20 0.949\n201.0 1.725E-20 0.949\n202.0 1.725E-20 0.949\n203.0 1.725E-20 0.949\n204.0 1.725E-20 0.949\n205.0 1.725E-20 0.949\n206.0 1.725E-20 0.949\n207.0 1.725E-20 0.948\n208.0 1.725E-20 0.948\n209.0 1.725E-20 0.948\n210.0 1.725E-20 0.948\n211.0 1.725E-20 0.948\n212.0 1.725E-20 0.948\n213.0 1.725E-20 0.947\n214.0 1.725E-20 0.947\n215.0 1.725E-20 0.947\n216.0 1.725E-20 0.947\n217.0 1.725E-20 0.946\n218.0 1.725E-20 0.946\n219.0 1.725E-20 0.946\n220.0 1.725E-20 0.945\n221.0 1.725E-20 0.945\n222.0 1.725E-20 0.945\n223.0 1.725E-20 0.944\n224.0 1.725E-20 0.944\n225.0 1.725E-20 0.943\n226.0 1.725E-20 0.942\n227.0 1.725E-20 0.942\n228.0 1.725E-20 0.941\n229.0 1.725E-20 0.940\n230.0 1.725E-20 0.939\n231.0 1.725E-20 0.938\n232.0 1.725E-20 0.937\n233.0 1.725E-20 0.936\n234.0 1.725E-20 0.935\n235.0 1.725E-20 0.934\n236.0 1.725E-20 0.933\n237.0 1.725E-20 0.931\n238.0 1.725E-20 0.930\n239.0 1.725E-20 0.928\n240.0 1.725E-20 0.926\n241.0 1.725E-20 0.924\n242.0 1.725E-20 0.922\n243.0 1.725E-20 0.920\n244.0 1.725E-20 0.917\n245.0 1.725E-20 0.914\n246.0 1.725E-20 0.911\n247.0 1.725E-20 0.908\n248.0 1.725E-20 0.905\n249.0 1.725E-20 0.901\n250.0 1.725E-20 0.898\n251.0 1.520E-20 0.894\n252.0 1.477E-20 0.889\n253.0 1.545E-20 0.884\n254.0 1.596E-20 0.880\n255.0 1.667E-20 0.874\n256.0 1.619E-20 0.869\n257.0 1.809E-20 0.863\n258.0 1.823E-20 0.856\n259.0 1.850E-20 0.850\n260.0 1.828E-20 0.843\n261.0 1.957E-20 0.836\n262.0 2.027E-20 0.828\n263.0 2.144E-20 0.820\n264.0 2.184E-20 0.812\n265.0 2.261E-20 0.803\n266.0 2.333E-20 0.794\n267.0 2.371E-20 0.785\n268.0 2.361E-20 0.775\n269.0 2.475E-20 0.765\n270.0 2.509E-20 0.755\n271.0 2.613E-20 0.745\n272.0 2.720E-20 0.734\n273.0 2.810E-20 0.724\n274.0 2.920E-20 0.713\n275.0 3.000E-20 0.702\n276.0 3.060E-20 0.691\n277.0 3.087E-20 0.681\n278.0 3.078E-20 0.670\n279.0 3.086E-20 0.659\n280.0 3.135E-20 0.649\n281.0 3.216E-20 0.639\n282.0 3.322E-20 0.629\n283.0 3.455E-20 0.619\n284.0 3.568E-20 0.610\n285.0 3.673E-20 0.601\n286.0 3.797E-20 0.593\n287.0 3.791E-20 0.584\n288.0 3.813E-20 0.577\n289.0 3.800E-20 0.570\n290.0 3.734E-20 0.563\n291.0 3.643E-20 0.557\n292.0 3.654E-20 0.551\n293.0 3.681E-20 0.546\n294.0 3.729E-20 0.541\n295.0 3.809E-20 0.537\n296.0 3.824E-20 0.533\n297.0 3.922E-20 0.530\n298.0 4.073E-20 0.528\n299.0 4.123E-20 0.525\n300.0 4.045E-20 0.524\n301.0 3.905E-20 0.523\n302.0 3.779E-20 0.523\n303.0 3.567E-20 0.523\n304.0 3.350E-20 0.523\n305.0 3.242E-20 0.524\n306.0 3.223E-20 0.525\n307.0 3.200E-20 0.527\n308.0 3.146E-20 0.530\n309.0 3.123E-20 0.532\n310.0 3.100E-20 0.536\n311.0 3.222E-20 0.539\n312.0 3.343E-20 0.543\n313.0 3.390E-20 0.547\n314.0 3.233E-20 0.552\n315.0 2.805E-20 0.557\n316.0 2.646E-20 0.562\n317.0 2.460E-20 0.567\n318.0 2.214E-20 0.573\n319.0 1.927E-20 0.578\n320.0 1.854E-20 0.584\n321.0 1.885E-20 0.590\n322.0 1.766E-20 0.596\n323.0 1.723E-20 0.602\n324.0 1.677E-20 0.608\n325.0 1.603E-20 0.614\n326.0 1.606E-20 0.620\n327.0 1.695E-20 0.625\n328.0 1.937E-20 0.631\n329.0 1.857E-20 0.636\n330.0 1.689E-20 0.641\n331.0 1.128E-20 0.645\n332.0 1.048E-20 0.649\n333.0 9.660E-21 0.653\n334.0 9.190E-21 0.656\n335.0 7.370E-21 0.659\n336.0 6.300E-21 0.661\n337.0 5.890E-21 0.663\n338.0 6.470E-21 0.664\n339.0 5.850E-21 0.664\n340.0 5.530E-21 0.664\n341.0 5.630E-21 0.663\n342.0 5.100E-21 0.662\n343.0 4.990E-21 0.660\n344.0 6.490E-21 0.657\n345.0 6.240E-21 0.654\n346.0 7.330E-21 0.649\n347.0 6.310E-21 0.645\n348.0 6.040E-21 0.639\n349.0 4.150E-21 0.633\n350.0 3.910E-21 0.627\n351.0 3.950E-21 0.619\n352.0 4.230E-21 0.612\n353.0 4.150E-21 0.603\n354.0 4.030E-21 0.594\n355.0 4.220E-21 0.585\n356.0 4.430E-21 0.575\n357.0 4.310E-21 0.565\n358.0 4.710E-21 0.555\n359.0 5.030E-21 0.544\n360.0 5.460E-21 0.533\n361.0 6.270E-21 0.521\n362.0 7.060E-21 0.510\n363.0 6.390E-21 0.498\n364.0 6.800E-21 0.486\n365.0 6.650E-21 0.474\n366.0 7.430E-21 0.461\n367.0 8.600E-21 0.449\n368.0 1.012E-20 0.437\n369.0 1.063E-20 0.425\n370.0 1.139E-20 0.413\n371.0 1.185E-20 0.400\n372.0 1.141E-20 0.388\n373.0 1.212E-20 0.376\n374.0 1.352E-20 0.365\n375.0 1.332E-20 0.353\n376.0 1.377E-20 0.341\n377.0 1.467E-20 0.330\n378.0 1.605E-20 0.319\n379.0 1.534E-20 0.308\n380.0 1.934E-20 0.297\n381.0 2.455E-20 0.287\n382.0 2.019E-20 0.277\n383.0 2.069E-20 0.267\n384.0 1.939E-20 0.257\n385.0 1.893E-20 0.248\n386.0 1.835E-20 0.238\n387.0 2.287E-20 0.229\n388.0 3.000E-20 0.221\n389.0 3.206E-20 0.212\n390.0 3.483E-20 0.204\n391.0 3.922E-20 0.196\n392.0 3.801E-20 0.188\n393.0 2.852E-20 0.180\n394.0 3.147E-20 0.173\n395.0 3.855E-20 0.165\n396.0 3.679E-20 0.158\n397.0 3.361E-20 0.151\n398.0 4.323E-20 0.144\n399.0 4.345E-20 0.137\n400.0 3.873E-20 0.130\n401.0 4.455E-20 0.123\n402.0 5.843E-20 0.116\n403.0 7.159E-20 0.108\n404.0 6.237E-20 0.101\n405.0 4.491E-20 0.094\n406.0 4.482E-20 0.086\n407.0 4.066E-20 0.078\n408.0 3.444E-20 0.070\n409.0 4.008E-20 0.063\n410.0 5.661E-20 0.055\n411.0 7.221E-20 0.048\n412.0 7.406E-20 0.041\n413.0 1.075E-19 0.035\n414.0 1.012E-19 0.029\n415.0 1.019E-19 0.024\n416.0 6.073E-20 0.020\n417.0 6.829E-20 0.016\n418.0 7.873E-20 0.013\n419.0 9.134E-20 0.010\n420.0 5.602E-20 0.008\n421.0 7.188E-20 0.007\n422.0 6.990E-20 0.005\n423.0 1.305E-19 0.004\n424.0 8.239E-20 0.003\n425.0 1.045E-19 0.003\n426.0 1.641E-19 0.002\n427.0 1.610E-19 0.002\n428.0 2.142E-19 0.001\n429.0 6.499E-20 0.001\n430.0 7.027E-20 0.001\n431.0 6.518E-20 0.001\n432.0 6.082E-20 0.001\n433.0 5.657E-20 0.000\n434.0 6.809E-20 0.000\n435.0 7.660E-20 0.000\n436.0 1.319E-19 0.000\n437.0 9.185E-20 0.000\n438.0 1.382E-19 0.000\n439.0 1.214E-19 0.000\n440.0 2.594E-19 0.000\n441.0 1.312E-19 0.000\n442.0 9.013E-20 0.000\n443.0 1.112E-19 0.000\n444.0 1.346E-19 0.000\n445.0 1.511E-19 0.000\n446.0 7.818E-20 0.000\n447.0 3.730E-20 0.000\n448.0 4.144E-20 0.000\n449.0 5.527E-20 0.000\n450.0 8.682E-20 0.000\n451.0 1.382E-19 0.000\n452.0 1.595E-19 0.000\n453.0 3.037E-19 0.000\n454.0 2.690E-19 0.000\n455.0 5.199E-19 0.000\n456.0 1.567E-19 0.000\n457.0 2.661E-20 0.000\n458.0 2.201E-20 0.000\n459.0 9.020E-21 0.000\n460.0 1.202E-20 0.000\n461.0 8.830E-21 0.000\n462.0 5.880E-21 0.000\n463.0 3.220E-21 0.000\n464.0 3.390E-21 0.000\n465.0 3.300E-21 0.000\n466.0 4.160E-21 0.000\n467.0 5.220E-21 0.000\n468.0 1.490E-21 0.000\n469.0 9.100E-22 0.000\n470.0 7.600E-22 0.000\n471.0 8.600E-22 0.000\n472.0 9.200E-22 0.000\n473.0 1.100E-21 0.000\n474.0 1.080E-21 0.000\n475.0 1.590E-21 0.000\n476.0 1.550E-21 0.000\n477.0 1.810E-21 0.000\n478.0 2.550E-21 0.000\n479.0 1.420E-21 0.000\n480.0 7.400E-22 0.000\n481.0 7.000E-22 0.000\n482.0 6.500E-22 0.000\n483.0 5.300E-22 0.000\n484.0 7.100E-22 0.000\n485.0 5.000E-22 0.000\n486.0 4.100E-22 0.000\n487.0 5.600E-22 0.000\n488.0 7.000E-22 0.000\n489.0 4.200E-22 0.000\n490.0 4.500E-22 0.000\n491.0 4.100E-22 0.000\n492.0 3.900E-22 0.000\n493.0 4.000E-22 0.000\n494.0 4.100E-22 0.000\n495.0 4.200E-22 0.000\n496.0 4.500E-22 0.000\n497.0 3.300E-22 0.000\n498.0 3.500E-22 0.000\n499.0 3.200E-22 0.000\n500.0 3.300E-22 0.000\n501.0 3.800E-22 0.000\n502.0 3.100E-22 0.000\n503.0 4.200E-22 0.000\n504.0 3.400E-22 0.000\n505.0 3.500E-22 0.000\n506.0 4.600E-22 0.000\n507.0 4.200E-22 0.000\n508.0 3.700E-22 0.000\n509.0 3.000E-22 0.000\n510.0 2.300E-22 0.000\n511.0 2.300E-22 0.000\n512.0 3.000E-22 0.000\n513.0 2.300E-22 0.000\n514.0 3.000E-22 0.000\n515.0 5.300E-22 0.000\n516.0 3.500E-22 0.000\n517.0 5.100E-22 0.000\n518.0 1.020E-21 0.000\n519.0 6.500E-22 0.000\n520.0 1.000E-21 0.000\n521.0 1.690E-21 0.000\n522.0 3.700E-22 0.000\n523.0 1.100E-22 0.000\n524.0 7.000E-23 0.000\n525.0 4.000E-23 0.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/GLY_R_SAPRC99", "content": "GLY_R\n! Glyoxal + hv = 2 HCO\n! SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\n! Created from PhotDat.xls on 29-Jan-2000 10:07\nPoints (the mechanism was evaluated assuming this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n230.0 2.870E-21 1.000\n235.0 2.870E-21 1.000\n240.0 4.300E-21 1.000\n245.0 5.730E-21 1.000\n250.0 8.600E-21 1.000\n255.0 1.150E-20 1.000\n260.0 1.430E-20 1.000\n265.0 1.860E-20 1.000\n270.0 2.290E-20 1.000\n275.0 2.580E-20 1.000\n280.0 2.870E-20 1.000\n285.0 3.300E-20 1.000\n290.0 3.150E-20 1.000\n295.0 3.300E-20 1.000\n300.0 3.580E-20 1.000\n305.0 2.720E-20 1.000\n310.0 2.720E-20 1.000\n312.5 2.870E-20 1.000\n315.0 2.290E-20 1.000\n320.0 1.430E-20 1.000\n325.0 1.150E-20 1.000\n327.5 1.430E-20 1.000\n330.0 1.150E-20 1.000\n335.0 2.870E-21 1.000\n340.0 0.000E+00 1.000\n345.0 0.000E+00 1.000\n350.0 0.000E+00 1.000\n355.0 0.000E+00 1.000\n360.0 2.290E-21 1.000\n365.0 2.870E-21 1.000\n370.0 8.030E-21 1.000\n375.0 1.000E-20 1.000\n380.0 1.720E-20 0.972\n382.0 1.580E-20 0.855\n384.0 1.490E-20 0.737\n386.0 1.490E-20 0.620\n388.0 2.870E-20 0.502\n390.0 3.150E-20 0.384\n391.0 3.240E-20 0.326\n392.0 3.040E-20 0.267\n393.0 2.230E-20 0.208\n394.0 2.630E-20 0.149\n395.0 3.040E-20 0.090\n396.0 2.630E-20 0.032\n397.0 2.430E-20 0.000\n398.0 3.240E-20 0.000\n399.0 3.040E-20 0.000\n400.0 2.840E-20 0.000\n401.0 3.240E-20 0.000\n402.0 4.460E-20 0.000\n403.0 5.270E-20 0.000\n404.0 4.260E-20 0.000\n405.0 3.040E-20 0.000\n406.0 3.040E-20 0.000\n407.0 2.840E-20 0.000\n408.0 2.430E-20 0.000\n409.0 2.840E-20 0.000\n410.0 6.080E-20 0.000\n411.0 5.070E-20 0.000\n411.5 6.080E-20 0.000\n412.0 4.860E-20 0.000\n413.0 8.310E-20 0.000\n413.5 6.480E-20 0.000\n414.0 7.500E-20 0.000\n414.5 8.110E-20 0.000\n415.0 8.110E-20 0.000\n415.5 6.890E-20 0.000\n416.0 4.260E-20 0.000\n417.0 4.860E-20 0.000\n418.0 5.880E-20 0.000\n419.0 6.690E-20 0.000\n420.0 3.850E-20 0.000\n421.0 5.670E-20 0.000\n421.5 4.460E-20 0.000\n422.0 5.270E-20 0.000\n422.5 1.050E-19 0.000\n423.0 8.510E-20 0.000\n424.0 6.080E-20 0.000\n425.0 7.290E-20 0.000\n426.0 1.180E-19 0.000\n426.5 1.300E-19 0.000\n427.0 1.070E-19 0.000\n428.0 1.660E-19 0.000\n429.0 4.050E-20 0.000\n430.0 5.070E-20 0.000\n431.0 4.860E-20 0.000\n432.0 4.050E-20 0.000\n433.0 3.650E-20 0.000\n434.0 4.050E-20 0.000\n434.5 6.080E-20 0.000\n435.0 5.070E-20 0.000\n436.0 8.110E-20 0.000\n436.5 1.130E-19 0.000\n437.0 5.270E-20 0.000\n438.0 1.010E-19 0.000\n438.5 1.380E-19 0.000\n439.0 7.700E-20 0.000\n440.0 2.470E-19 0.000\n441.0 8.110E-20 0.000\n442.0 6.080E-20 0.000\n443.0 7.500E-20 0.000\n444.0 9.320E-20 0.000\n445.0 1.130E-19 0.000\n446.0 5.270E-20 0.000\n447.0 2.430E-20 0.000\n448.0 2.840E-20 0.000\n449.0 3.850E-20 0.000\n450.0 6.080E-20 0.000\n451.0 1.090E-19 0.000\n451.5 9.320E-20 0.000\n452.0 1.220E-19 0.000\n453.0 2.390E-19 0.000\n454.0 1.700E-19 0.000\n455.0 3.400E-19 0.000\n455.5 4.050E-19 0.000\n456.0 1.010E-19 0.000\n457.0 1.620E-20 0.000\n458.0 1.220E-20 0.000\n458.5 1.420E-20 0.000\n459.0 4.050E-21 0.000\n460.0 4.050E-21 0.000\n460.5 6.080E-21 0.000\n461.0 2.030E-21 0.000\n462.0 0.000E+00 0.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/GLYform_RADM88", "content": "GLYform_RADM88\n! Glyoxal Photolysis (GLYform)\n! HCOCHO + hv -> HCHO + CO \n! Abs CS from Plum et al. [1983]\n! Carter's recommendation for low/high band quantum yields\n! format: wl, abs_cs, qy\nBeginning\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n 229.885 0.000E+00 0.000E+00\n 232.558 3.396E-21 0.000E+00\n 235.294 4.008E-21 0.000E+00\n 238.095 4.859E-21 0.000E+00\n 240.964 5.730E-21 0.000E+00\n 243.902 6.622E-21 0.000E+00\n 246.914 7.537E-21 0.000E+00\n 250.000 9.055E-21 0.000E+00\n 253.165 1.119E-20 0.000E+00\n 256.410 1.333E-20 0.000E+00\n 259.740 1.620E-20 0.000E+00\n 263.158 2.018E-20 0.000E+00\n 266.667 2.243E-20 0.000E+00\n 270.270 2.477E-20 0.000E+00\n 273.973 2.762E-20 0.000E+00\n 277.778 2.888E-20 0.000E+00\n 281.690 3.179E-20 0.000E+00\n 285.714 3.218E-20 0.000E+00\n 289.855 3.211E-20 0.000E+00\n 294.118 3.375E-20 0.000E+00\n 298.500 3.434E-20 0.000E+00\n 302.500 3.068E-20 0.000E+00\n 303.500 2.896E-20 0.000E+00\n 304.500 2.746E-20 0.000E+00\n 305.500 2.724E-20 0.000E+00\n 306.500 2.724E-20 0.000E+00\n 307.500 2.724E-20 0.000E+00\n 308.500 2.724E-20 0.000E+00\n 309.500 2.733E-20 0.000E+00\n 310.500 2.795E-20 0.000E+00\n 311.500 2.834E-20 0.000E+00\n 312.500 2.676E-20 0.000E+00\n 313.500 2.485E-20 0.000E+00\n 314.500 2.123E-20 0.000E+00\n 317.500 1.506E-20 0.000E+00\n 322.500 1.267E-20 0.000E+00\n 327.500 1.422E-20 0.000E+00\n 332.500 2.294E-20 0.000E+00\n 337.500 3.584E-21 0.000E+00\n 342.500 0.000E+00 2.500E-02\n 347.500 0.000E+00 2.500E-02\n 352.500 2.863E-22 2.500E-02\n 357.500 2.076E-21 2.500E-02\n 362.500 3.442E-21 2.500E-02\n 367.500 7.636E-21 2.500E-02\n 372.500 1.068E-20 2.500E-02\n 377.500 1.587E-20 2.500E-02\n 382.500 1.655E-20 2.500E-02\n 387.500 3.025E-20 2.500E-02\n 392.500 2.634E-20 2.500E-02\n 397.500 3.364E-20 2.500E-02\n 402.500 3.658E-20 2.500E-02\n 407.500 4.564E-20 2.500E-02\n 412.500 6.427E-20 2.500E-02\n 417.500 5.456E-20 2.500E-02\n 422.500 9.215E-20 2.500E-02\n 427.500 6.774E-20 2.500E-02\n 432.500 5.993E-20 2.500E-02\n 437.500 1.170E-19 2.500E-02\n 442.500 7.148E-20 2.500E-02\n 447.500 7.295E-20 2.500E-02\n 452.500 2.008E-19 2.500E-02\n 457.500 0.000E+00 2.500E-02\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/GLYmol_RADM88", "content": "GLYmol_RADM88\n! Glyoxal Photolysis (GLYmol)\n! HCOCHO + hv -> 2CO + H2 \n! Abs CS from Plum et al. [1983]\n! Carter's recommendation for low/high band quantum yields\n! format: wl, abs_cs, qy\nBeginning\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n 232.558 3.396E-21 1.000E+00\n 235.294 4.008E-21 1.000E+00\n 238.095 4.859E-21 1.000E+00\n 240.964 5.730E-21 1.000E+00\n 243.902 6.622E-21 1.000E+00\n 246.914 7.537E-21 1.000E+00\n 250.000 9.055E-21 1.000E+00\n 253.165 1.119E-20 1.000E+00\n 256.410 1.333E-20 1.000E+00\n 259.740 1.620E-20 1.000E+00\n 263.158 2.018E-20 1.000E+00\n 266.667 2.243E-20 1.000E+00\n 270.270 2.477E-20 1.000E+00\n 273.973 2.762E-20 1.000E+00\n 277.778 2.888E-20 1.000E+00\n 281.690 3.179E-20 1.000E+00\n 285.714 3.218E-20 1.000E+00\n 289.855 3.211E-20 1.000E+00\n 294.118 3.375E-20 1.000E+00\n 298.500 3.434E-20 1.000E+00\n 302.500 3.068E-20 1.000E+00\n 303.500 2.896E-20 1.000E+00\n 304.500 2.746E-20 1.000E+00\n 305.500 2.724E-20 1.000E+00\n 306.500 2.724E-20 1.000E+00\n 307.500 2.724E-20 1.000E+00\n 308.500 2.724E-20 1.000E+00\n 309.500 2.733E-20 1.000E+00\n 310.500 2.795E-20 1.000E+00\n 311.500 2.834E-20 1.000E+00\n 312.500 2.676E-20 1.000E+00\n 313.500 2.485E-20 1.000E+00\n 314.500 2.123E-20 1.000E+00\n 317.500 1.506E-20 1.000E+00\n 322.500 1.267E-20 1.000E+00\n 327.500 1.422E-20 1.000E+00\n 332.500 2.294E-20 1.000E+00\n 337.500 3.584E-21 1.000E+00\n 342.500 0.000E+00 0.000E+00\n 347.500 0.000E+00 0.000E+00\n 352.500 2.863E-22 0.000E+00\n 357.500 2.076E-21 0.000E+00\n 362.500 3.442E-21 0.000E+00\n 367.500 7.636E-21 0.000E+00\n 372.500 1.068E-20 0.000E+00\n 377.500 1.587E-20 0.000E+00\n 382.500 1.655E-20 0.000E+00\n 387.500 3.025E-20 0.000E+00\n 392.500 2.634E-20 0.000E+00\n 397.500 3.364E-20 0.000E+00\n 402.500 3.658E-20 0.000E+00\n 407.500 4.564E-20 0.000E+00\n 412.500 6.427E-20 0.000E+00\n 417.500 5.456E-20 0.000E+00\n 422.500 9.215E-20 0.000E+00\n 427.500 6.774E-20 0.000E+00\n 432.500 5.993E-20 0.000E+00\n 437.500 1.170E-19 0.000E+00\n 442.500 7.148E-20 0.000E+00\n 447.500 7.295E-20 0.000E+00\n 452.500 2.008E-19 0.000E+00\n 457.500 0.000E+00 0.000E+00\n\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/H2O2", "content": "H2O2 \n! H2O2 + HV = 2 OH \n! IUPAC (1997) Recommended. \nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n190.0 6.720E-19 1.0000\n195.0 5.630E-19 1.0000\n200.0 4.750E-19 1.0000\n205.0 4.080E-19 1.0000\n210.0 3.570E-19 1.0000\n215.0 3.070E-19 1.0000\n220.0 2.580E-19 1.0000\n225.0 2.170E-19 1.0000\n230.0 1.820E-19 1.0000\n235.0 1.500E-19 1.0000\n240.0 1.240E-19 1.0000\n245.0 1.020E-19 1.0000\n250.0 8.300E-20 1.0000\n255.0 6.700E-20 1.0000\n260.0 5.300E-20 1.0000\n265.0 4.200E-20 1.0000\n270.0 3.300E-20 1.0000\n275.0 2.600E-20 1.0000\n280.0 2.000E-20 1.0000\n285.0 1.500E-20 1.0000\n290.0 1.200E-20 1.0000\n295.0 9.000E-21 1.0000\n300.0 6.800E-21 1.0000\n305.0 5.100E-21 1.0000\n310.0 3.900E-21 1.0000\n315.0 2.900E-21 1.0000\n320.0 2.200E-21 1.0000\n325.0 1.600E-21 1.0000\n330.0 1.300E-21 1.0000\n335.0 1.000E-21 1.0000\n340.0 7.000E-22 1.0000\n345.0 5.000E-22 1.0000\n350.0 4.000E-22 1.0000\n355.0 0.000E+00 1.0000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/H2O2_IUPAC10", "content": "H2O2_IUPAC10\n! j(H2O2) IUPAC(2010) \n! H2O2 = 2 OH \n! From IUPAC Subcommittee on Gas Kinetic Data Evaluation \n! Data Sheet PHOx2, updated 2 Oct, 2001 \n!These are point values \nBegining (the mechanism evaluated with this format)\n!WL(nm) XSEC(cm2) QY\nFAC=1.0\n190.0 6.720E-19 1.000\n195.0 5.630E-19 1.000\n200.0 4.750E-19 1.000\n205.0 4.080E-19 1.000\n210.0 3.570E-19 1.000\n215.0 3.070E-19 1.000\n220.0 2.580E-19 1.000\n225.0 2.170E-19 1.000\n230.0 1.820E-19 1.000\n235.0 1.500E-19 1.000\n240.0 1.240E-19 1.000\n245.0 1.020E-19 1.000\n250.0 8.300E-20 1.000\n255.0 6.700E-20 1.000\n260.0 5.300E-20 1.000\n265.0 4.200E-20 1.000\n270.0 3.300E-20 1.000\n275.0 2.600E-20 1.000\n280.0 2.000E-20 1.000\n285.0 1.500E-20 1.000\n290.0 1.200E-20 1.000\n295.0 9.000E-21 1.000\n300.0 6.800E-21 1.000\n305.0 5.100E-21 1.000\n310.0 3.900E-21 1.000\n315.0 2.900E-21 1.000\n320.0 2.200E-21 1.000\n325.0 1.600E-21 1.000\n330.0 1.300E-21 1.000\n335.0 1.000E-21 1.000\n340.0 7.000E-22 1.000\n345.0 5.000E-22 1.000\n350.0 4.000E-22 1.000\n355.0 0.000E+00 1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/H2O2_NASA94", "content": "H2O2_NASA94\n! Hydrogen Peroxide Photolysis (H2O2)\n! H2O2 + hv -> OH + OH \n! Taken from NASA (1994); Absorption CS for T=298 K;\n! format: wl, abs_cs, qy\nPoints\n! With FAC, units are (cm^2/molecule)\nFAC=1.0E-20\n 190.0 67.2 1.0\n 195.0 56.4 1.0\n 200.0 47.5 1.0\n 205.0 40.8 1.0\n 210.0 35.7 1.0\n 215.0 30.7 1.0\n 220.0 25.8 1.0\n 225.0 21.7 1.0\n 230.0 18.2 1.0\n 235.0 15.0 1.0\n 240.0 12.4 1.0\n 245.0 10.2 1.0\n 250.0 8.3 1.0\n 255.0 6.7 1.0\n 260.0 5.3 1.0\n 265.0 4.2 1.0\n 270.0 3.3 1.0\n 275.0 2.6 1.0\n 280.0 2.0 1.0\n 285.0 1.5 1.0\n 290.0 1.2 1.0\n 295.0 0.90 1.0\n 300.0 0.68 1.0\n 305.0 0.51 1.0\n 310.0 0.39 1.0\n 315.0 0.29 1.0\n 320.0 0.22 1.0\n 325.0 0.16 1.0\n 330.0 0.13 1.0\n 335.0 0.10 1.0\n 340.0 0.07 1.0\n 345.0 0.05 1.0\n 350.0 0.04 1.0\n\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/H2O2_RACM2", "content": "H2O2_RACM2\n! H2O2 + HV = HO + HO \n! Absorption cross sections from NASA (2006) \n! Quantum yield is taken to be 1.0 \n! Supplied by Dr. Wendy Goliff, reformatted by Dr. Golam Sarwar to make it compatible with CMAQ\nPoints \n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n186.1 0.000E+00 1.000\n187.8 0.000E+00 1.000\n189.6 0.000E+00 1.000\n191.4 0.642E-18 1.000\n193.3 0.601E-18 1.000\n195.2 0.560E-18 1.000\n197.1 0.527E-18 1.000\n199.0 0.493E-18 1.000\n201.0 0.462E-18 1.000\n203.1 0.433E-18 1.000\n205.2 0.406E-18 1.000\n207.3 0.385E-18 1.000\n209.4 0.363E-18 1.000\n211.7 0.340E-18 1.000\n213.9 0.318E-18 1.000\n216.2 0.295E-18 1.000\n218.6 0.272E-18 1.000\n221.0 0.250E-18 1.000\n223.5 0.229E-18 1.000\n226.0 0.210E-18 1.000\n228.6 0.192E-18 1.000\n231.3 0.174E-18 1.000\n234.0 0.156E-18 1.000\n236.7 0.141E-18 1.000\n239.6 0.126E-18 1.000\n242.5 0.113E-18 1.000\n245.4 0.100E-18 1.000\n248.5 0.887E-19 1.000\n251.6 0.779E-19 1.000\n254.8 0.676E-19 1.000\n258.2 0.580E-19 1.000\n261.5 0.497E-19 1.000\n265.0 0.420E-19 1.000\n268.5 0.357E-19 1.000\n272.2 0.299E-19 1.000\n275.9 0.249E-19 1.000\n279.8 0.202E-19 1.000\n283.7 0.163E-19 1.000\n287.8 0.133E-19 1.000\n292.0 0.108E-19 1.000\n296.3 0.843E-20 1.000\n300.5 0.663E-20 1.000\n303.0 0.578E-20 1.000\n304.0 0.544E-20 1.000\n305.0 0.510E-20 1.000\n306.0 0.486E-20 1.000\n307.0 0.462E-20 1.000\n308.0 0.438E-20 1.000\n309.0 0.414E-20 1.000\n310.0 0.390E-20 1.000\n311.0 0.370E-20 1.000\n312.0 0.350E-20 1.000\n313.0 0.330E-20 1.000\n314.0 0.310E-20 1.000\n316.0 0.276E-20 1.000\n320.0 0.220E-20 1.000\n325.0 0.160E-20 1.000\n330.0 0.130E-20 1.000\n335.0 0.100E-20 1.000\n340.0 0.700E-21 1.000\n345.0 0.500E-21 1.000\n350.0 0.400E-21 1.000\n355.0 0.000E+00 1.000\n360.0 0.000E+00 1.000\n365.0 0.000E+00 1.000\n370.0 0.000E+00 1.000\n375.0 0.000E+00 1.000\n380.0 0.000E+00 1.000\n385.0 0.000E+00 1.000\n390.0 0.000E+00 1.000\n395.0 0.000E+00 1.000\n400.0 0.000E+00 1.000\n405.0 0.000E+00 1.000\n410.0 0.000E+00 1.000\n415.0 0.000E+00 1.000\n420.0 0.000E+00 1.000\n425.0 0.000E+00 1.000\n430.0 0.000E+00 1.000\n435.0 0.000E+00 1.000\n440.0 0.000E+00 1.000\n445.0 0.000E+00 1.000\n450.0 0.000E+00 1.000\n455.0 0.000E+00 1.000\n460.0 0.000E+00 1.000\n465.0 0.000E+00 1.000\n470.0 0.000E+00 1.000\n475.0 0.000E+00 1.000\n480.0 0.000E+00 1.000\n485.0 0.000E+00 1.000\n490.0 0.000E+00 1.000\n495.0 0.000E+00 1.000\n500.0 0.000E+00 1.000\n505.0 0.000E+00 1.000\n510.0 0.000E+00 1.000\n515.0 0.000E+00 1.000\n520.0 0.000E+00 1.000\n525.0 0.000E+00 1.000\n530.0 0.000E+00 1.000\n535.0 0.000E+00 1.000\n540.0 0.000E+00 1.000\n545.0 0.000E+00 1.000\n550.0 0.000E+00 1.000\n555.0 0.000E+00 1.000\n560.0 0.000E+00 1.000\n565.0 0.000E+00 1.000\n570.0 0.000E+00 1.000\n575.0 0.000E+00 1.000\n580.0 0.000E+00 1.000\n585.0 0.000E+00 1.000\n590.0 0.000E+00 1.000\n595.0 0.000E+00 1.000\n600.0 0.000E+00 1.000\n605.0 0.000E+00 1.000\n610.0 0.000E+00 1.000\n615.0 0.000E+00 1.000\n620.0 0.000E+00 1.000\n625.0 0.000E+00 1.000\n630.0 0.000E+00 1.000\n635.0 0.000E+00 1.000\n640.0 0.000E+00 1.000\n644.8 0.000E+00 1.000\n651.0 0.000E+00 1.000\n660.0 0.000E+00 1.000\n670.0 0.000E+00 1.000\n680.0 0.000E+00 1.000\n690.0 0.000E+00 1.000\n700.0 0.000E+00 1.000\n710.0 0.000E+00 1.000\n720.0 0.000E+00 1.000\n730.0 0.000E+00 1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/H2O2_RADM88", "content": "H2O2_RADM88\n! Hydrogen Peroxide Photolysis (H2O2)\n! H2O2 + hv -> OH + OH \n! Abs. CS avg of Lin et al. [1978] and Molina and Molina [1981];\n! QY assumed to be unity over UV absorption range\n! format: wl, abs_cs, qy\nBeginning\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n 190.476 3.207E-19 1.000E+00\n 192.308 3.003E-19 1.000E+00\n 194.175 2.801E-19 1.000E+00\n 196.078 5.272E-19 1.000E+00\n 198.020 4.925E-19 1.000E+00\n 200.000 4.615E-19 1.000E+00\n 202.020 4.341E-19 1.000E+00\n 204.082 4.068E-19 1.000E+00\n 206.186 3.816E-19 1.000E+00\n 208.333 3.563E-19 1.000E+00\n 210.526 3.329E-19 1.000E+00\n 212.766 3.100E-19 1.000E+00\n 215.054 2.881E-19 1.000E+00\n 217.391 2.671E-19 1.000E+00\n 219.780 2.463E-19 1.000E+00\n 222.222 2.260E-19 1.000E+00\n 224.719 2.066E-19 1.000E+00\n 227.273 1.888E-19 1.000E+00\n 229.885 1.714E-19 1.000E+00\n 232.558 1.547E-19 1.000E+00\n 235.294 1.392E-19 1.000E+00\n 238.095 1.246E-19 1.000E+00\n 240.964 1.116E-19 1.000E+00\n 243.902 9.925E-20 1.000E+00\n 246.914 8.805E-20 1.000E+00\n 250.000 7.761E-20 1.000E+00\n 253.165 6.782E-20 1.000E+00\n 256.410 5.796E-20 1.000E+00\n 259.740 4.920E-20 1.000E+00\n 263.158 4.207E-20 1.000E+00\n 266.667 3.539E-20 1.000E+00\n 270.270 2.960E-20 1.000E+00\n 273.973 2.463E-20 1.000E+00\n 277.778 2.021E-20 1.000E+00\n 281.690 1.613E-20 1.000E+00\n 285.714 1.288E-20 1.000E+00\n 289.855 1.030E-20 1.000E+00\n 294.118 8.164E-21 1.000E+00\n 298.500 6.467E-21 1.000E+00\n 302.500 5.595E-21 1.000E+00\n 303.500 5.255E-21 1.000E+00\n 304.500 4.929E-21 1.000E+00\n 305.500 4.686E-21 1.000E+00\n 306.500 4.457E-21 1.000E+00\n 307.500 4.228E-21 1.000E+00\n 308.500 3.999E-21 1.000E+00\n 309.500 3.774E-21 1.000E+00\n 310.500 3.576E-21 1.000E+00\n 311.500 3.382E-21 1.000E+00\n 312.500 3.188E-21 1.000E+00\n 313.500 2.994E-21 1.000E+00\n 314.500 2.652E-21 1.000E+00\n 317.500 2.075E-21 1.000E+00\n 322.500 1.528E-21 1.000E+00\n 327.500 1.186E-21 1.000E+00\n 332.500 9.363E-22 1.000E+00\n 337.500 6.863E-22 1.000E+00\n 342.500 5.031E-22 1.000E+00\n 347.500 3.250E-22 1.000E+00\n 352.500 0.000E+00 1.000E+00\n\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/H2O2_SAPRC99", "content": "H2O2\n! H2O2 + HV = 2 OH\n! SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\n! Created from PhotDat.xls on 29-Jan-2000 10:07\nPoints (the mechanism was evaluated assuming this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n190.0 6.720E-19 1.000\n195.0 5.630E-19 1.000\n200.0 4.750E-19 1.000\n205.0 4.080E-19 1.000\n210.0 3.570E-19 1.000\n215.0 3.070E-19 1.000\n220.0 2.580E-19 1.000\n225.0 2.170E-19 1.000\n230.0 1.820E-19 1.000\n235.0 1.500E-19 1.000\n240.0 1.240E-19 1.000\n245.0 1.020E-19 1.000\n250.0 8.300E-20 1.000\n255.0 6.700E-20 1.000\n260.0 5.300E-20 1.000\n265.0 4.200E-20 1.000\n270.0 3.300E-20 1.000\n275.0 2.600E-20 1.000\n280.0 2.000E-20 1.000\n285.0 1.500E-20 1.000\n290.0 1.200E-20 1.000\n295.0 9.000E-21 1.000\n300.0 6.800E-21 1.000\n305.0 5.100E-21 1.000\n310.0 3.900E-21 1.000\n315.0 2.900E-21 1.000\n320.0 2.200E-21 1.000\n325.0 1.600E-21 1.000\n330.0 1.300E-21 1.000\n335.0 1.000E-21 1.000\n340.0 7.000E-22 1.000\n345.0 5.000E-22 1.000\n350.0 4.000E-22 1.000\n355.0 0.000E+00 1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/HCHOM-06", "content": "HCHOM-06 \n! HCHO + HV = H2 + CO \n! IUPAC Subcommittee on Gas Kinetic Data Evaluation Data Sheet P1 \n! This datasheet updated: 16th May 2002. \n! Website: http://www.iupac-kinetic.ch.cam.ac.uk/. \n! IUPAC recommendations used for both absorption cross sections and quantum yield\n! Quantum yields for wl < 0.360 interpolated. \n! \nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n240.0 7.820E-22 0.4900\n241.0 7.750E-22 0.4900\n242.0 1.227E-21 0.4900\n243.0 1.591E-21 0.4900\n244.0 1.096E-21 0.4900\n245.0 1.313E-21 0.4900\n246.0 1.634E-21 0.4900\n247.0 1.511E-21 0.4900\n248.0 2.338E-21 0.4900\n249.0 3.178E-21 0.4900\n250.0 2.572E-21 0.4900\n251.0 2.039E-21 0.4900\n252.0 3.366E-21 0.4900\n253.0 2.894E-21 0.4900\n254.0 3.417E-21 0.4900\n255.0 4.502E-21 0.4900\n256.0 6.282E-21 0.4900\n257.0 4.430E-21 0.4900\n258.0 3.073E-21 0.4900\n259.0 6.174E-21 0.4900\n260.0 6.045E-21 0.4900\n261.0 6.591E-21 0.4780\n262.0 6.033E-21 0.4660\n263.0 1.077E-20 0.4540\n264.0 9.465E-21 0.4420\n265.0 5.305E-21 0.4300\n266.0 5.387E-21 0.4180\n267.0 1.360E-20 0.4060\n268.0 1.243E-20 0.3940\n269.0 9.908E-21 0.3830\n270.0 9.626E-21 0.3770\n271.0 1.941E-20 0.3700\n272.0 1.430E-20 0.3640\n273.0 8.106E-21 0.3570\n274.0 6.575E-21 0.3510\n275.0 2.143E-20 0.3440\n276.0 2.584E-20 0.3380\n277.0 1.573E-20 0.3310\n278.0 1.035E-20 0.3250\n279.0 2.451E-20 0.3160\n280.0 2.338E-20 0.3020\n281.0 1.562E-20 0.2870\n282.0 9.728E-21 0.2730\n283.0 7.224E-21 0.2580\n284.0 4.265E-20 0.2450\n285.0 4.050E-20 0.2390\n286.0 2.095E-20 0.2320\n287.0 1.153E-20 0.2260\n288.0 3.169E-20 0.2190\n289.0 3.225E-20 0.2180\n290.0 1.173E-20 0.2320\n291.0 1.836E-20 0.2460\n292.0 7.973E-21 0.2610\n293.0 3.128E-20 0.2750\n294.0 7.154E-20 0.2890\n295.0 4.054E-20 0.3020\n296.0 2.474E-20 0.3140\n297.0 1.367E-20 0.3260\n298.0 4.217E-20 0.3390\n299.0 3.175E-20 0.3410\n300.0 9.638E-21 0.3120\n301.0 1.625E-20 0.2820\n302.0 8.537E-21 0.2590\n303.0 3.021E-20 0.2370\n304.0 7.219E-20 0.2300\n305.0 4.752E-20 0.2680\n306.0 4.292E-20 0.3060\n307.0 1.781E-20 0.3010\n308.0 1.385E-20 0.2800\n309.0 3.252E-20 0.2680\n310.0 1.737E-20 0.2810\n311.0 4.623E-21 0.2930\n312.0 1.188E-20 0.2930\n313.0 9.064E-21 0.2880\n314.0 5.637E-20 0.2890\n315.0 5.565E-20 0.3060\n316.0 2.561E-20 0.3230\n317.0 5.777E-20 0.3290\n318.0 3.151E-20 0.3310\n319.0 9.779E-21 0.3330\n320.0 1.194E-20 0.3350\n321.0 1.598E-20 0.3370\n322.0 7.216E-21 0.3540\n323.0 3.281E-21 0.3770\n324.0 8.584E-21 0.4000\n325.0 1.578E-20 0.4230\n326.0 6.876E-20 0.4460\n327.0 4.370E-20 0.4900\n328.0 1.220E-20 0.5400\n329.0 3.120E-20 0.5620\n330.0 3.865E-20 0.5010\n331.0 1.412E-20 0.4390\n332.0 3.474E-21 0.4440\n333.0 2.135E-21 0.4700\n334.0 1.587E-21 0.5030\n335.0 9.670E-22 0.5580\n336.0 1.261E-21 0.6130\n337.0 3.825E-21 0.6070\n338.0 1.919E-20 0.5790\n339.0 5.381E-20 0.5590\n340.0 3.151E-20 0.5600\n341.0 9.783E-21 0.5250\n342.0 5.093E-21 0.4900\n343.0 1.922E-20 0.4550\n344.0 1.268E-20 0.4200\n345.0 4.369E-21 0.3850\n346.0 1.190E-21 0.3500\n347.0 4.410E-22 0.3150\n348.0 7.540E-22 0.2800\n349.0 3.790E-22 0.2450\n350.0 3.620E-22 0.2100\n351.0 8.930E-22 0.1920\n352.0 7.295E-21 0.1740\n353.0 2.275E-20 0.1560\n354.0 1.645E-20 0.1380\n355.0 6.964E-21 0.1200\n356.0 1.483E-21 0.1020\n357.0 3.450E-22 0.0840\n358.0 1.860E-22 0.0660\n359.0 1.110E-22 0.0480\n360.0 8.700E-23 0.0300\n361.0 1.000E-22 0.0120\n362.0 2.110E-22 0.0000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/HCHOM_06", "content": "HCHOM-06 \n! HCHO + HV = H2 + CO \n! IUPAC Subcommittee on Gas Kinetic Data Evaluation Data Sheet P1 \n! This datasheet updated: 16th May 2002. \n! Website: http://www.iupac-kinetic.ch.cam.ac.uk/. \n! IUPAC recommendations used for both absorption cross sections and quantum yield\n! Quantum yields for wl < 0.360 interpolated. \n! \nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n240.0 7.820E-22 0.4900\n241.0 7.750E-22 0.4900\n242.0 1.227E-21 0.4900\n243.0 1.591E-21 0.4900\n244.0 1.096E-21 0.4900\n245.0 1.313E-21 0.4900\n246.0 1.634E-21 0.4900\n247.0 1.511E-21 0.4900\n248.0 2.338E-21 0.4900\n249.0 3.178E-21 0.4900\n250.0 2.572E-21 0.4900\n251.0 2.039E-21 0.4900\n252.0 3.366E-21 0.4900\n253.0 2.894E-21 0.4900\n254.0 3.417E-21 0.4900\n255.0 4.502E-21 0.4900\n256.0 6.282E-21 0.4900\n257.0 4.430E-21 0.4900\n258.0 3.073E-21 0.4900\n259.0 6.174E-21 0.4900\n260.0 6.045E-21 0.4900\n261.0 6.591E-21 0.4780\n262.0 6.033E-21 0.4660\n263.0 1.077E-20 0.4540\n264.0 9.465E-21 0.4420\n265.0 5.305E-21 0.4300\n266.0 5.387E-21 0.4180\n267.0 1.360E-20 0.4060\n268.0 1.243E-20 0.3940\n269.0 9.908E-21 0.3830\n270.0 9.626E-21 0.3770\n271.0 1.941E-20 0.3700\n272.0 1.430E-20 0.3640\n273.0 8.106E-21 0.3570\n274.0 6.575E-21 0.3510\n275.0 2.143E-20 0.3440\n276.0 2.584E-20 0.3380\n277.0 1.573E-20 0.3310\n278.0 1.035E-20 0.3250\n279.0 2.451E-20 0.3160\n280.0 2.338E-20 0.3020\n281.0 1.562E-20 0.2870\n282.0 9.728E-21 0.2730\n283.0 7.224E-21 0.2580\n284.0 4.265E-20 0.2450\n285.0 4.050E-20 0.2390\n286.0 2.095E-20 0.2320\n287.0 1.153E-20 0.2260\n288.0 3.169E-20 0.2190\n289.0 3.225E-20 0.2180\n290.0 1.173E-20 0.2320\n291.0 1.836E-20 0.2460\n292.0 7.973E-21 0.2610\n293.0 3.128E-20 0.2750\n294.0 7.154E-20 0.2890\n295.0 4.054E-20 0.3020\n296.0 2.474E-20 0.3140\n297.0 1.367E-20 0.3260\n298.0 4.217E-20 0.3390\n299.0 3.175E-20 0.3410\n300.0 9.638E-21 0.3120\n301.0 1.625E-20 0.2820\n302.0 8.537E-21 0.2590\n303.0 3.021E-20 0.2370\n304.0 7.219E-20 0.2300\n305.0 4.752E-20 0.2680\n306.0 4.292E-20 0.3060\n307.0 1.781E-20 0.3010\n308.0 1.385E-20 0.2800\n309.0 3.252E-20 0.2680\n310.0 1.737E-20 0.2810\n311.0 4.623E-21 0.2930\n312.0 1.188E-20 0.2930\n313.0 9.064E-21 0.2880\n314.0 5.637E-20 0.2890\n315.0 5.565E-20 0.3060\n316.0 2.561E-20 0.3230\n317.0 5.777E-20 0.3290\n318.0 3.151E-20 0.3310\n319.0 9.779E-21 0.3330\n320.0 1.194E-20 0.3350\n321.0 1.598E-20 0.3370\n322.0 7.216E-21 0.3540\n323.0 3.281E-21 0.3770\n324.0 8.584E-21 0.4000\n325.0 1.578E-20 0.4230\n326.0 6.876E-20 0.4460\n327.0 4.370E-20 0.4900\n328.0 1.220E-20 0.5400\n329.0 3.120E-20 0.5620\n330.0 3.865E-20 0.5010\n331.0 1.412E-20 0.4390\n332.0 3.474E-21 0.4440\n333.0 2.135E-21 0.4700\n334.0 1.587E-21 0.5030\n335.0 9.670E-22 0.5580\n336.0 1.261E-21 0.6130\n337.0 3.825E-21 0.6070\n338.0 1.919E-20 0.5790\n339.0 5.381E-20 0.5590\n340.0 3.151E-20 0.5600\n341.0 9.783E-21 0.5250\n342.0 5.093E-21 0.4900\n343.0 1.922E-20 0.4550\n344.0 1.268E-20 0.4200\n345.0 4.369E-21 0.3850\n346.0 1.190E-21 0.3500\n347.0 4.410E-22 0.3150\n348.0 7.540E-22 0.2800\n349.0 3.790E-22 0.2450\n350.0 3.620E-22 0.2100\n351.0 8.930E-22 0.1920\n352.0 7.295E-21 0.1740\n353.0 2.275E-20 0.1560\n354.0 1.645E-20 0.1380\n355.0 6.964E-21 0.1200\n356.0 1.483E-21 0.1020\n357.0 3.450E-22 0.0840\n358.0 1.860E-22 0.0660\n359.0 1.110E-22 0.0480\n360.0 8.700E-23 0.0300\n361.0 1.000E-22 0.0120\n362.0 2.110E-22 0.0000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/HCHOR-06", "content": "HCHOR-06 \n! HCHO + HV = HCO. + H. \n! IUPAC Subcommittee on Gas Kinetic Data Evaluation Data Sheet P1 \n! This datasheet updated: 16th May 2002. \n! Website: http://www.iupac-kinetic.ch.cam.ac.uk/. \n! IUPAC recommendations used for both absorption cross sections and quantum yield\n! \nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n240.0 7.820E-22 0.2700\n241.0 7.750E-22 0.2720\n242.0 1.227E-21 0.2740\n243.0 1.591E-21 0.2760\n244.0 1.096E-21 0.2780\n245.0 1.313E-21 0.2800\n246.0 1.634E-21 0.2820\n247.0 1.511E-21 0.2840\n248.0 2.338E-21 0.2860\n249.0 3.178E-21 0.2880\n250.0 2.572E-21 0.2900\n251.0 2.039E-21 0.2910\n252.0 3.366E-21 0.2920\n253.0 2.894E-21 0.2930\n254.0 3.417E-21 0.2940\n255.0 4.502E-21 0.2950\n256.0 6.282E-21 0.2960\n257.0 4.430E-21 0.2970\n258.0 3.073E-21 0.2980\n259.0 6.174E-21 0.2990\n260.0 6.045E-21 0.3000\n261.0 6.591E-21 0.3140\n262.0 6.033E-21 0.3290\n263.0 1.077E-20 0.3430\n264.0 9.465E-21 0.3570\n265.0 5.305E-21 0.3710\n266.0 5.387E-21 0.3860\n267.0 1.360E-20 0.4000\n268.0 1.243E-20 0.4140\n269.0 9.908E-21 0.4290\n270.0 9.626E-21 0.4430\n271.0 1.941E-20 0.4580\n272.0 1.430E-20 0.4720\n273.0 8.106E-21 0.4870\n274.0 6.575E-21 0.5010\n275.0 2.143E-20 0.5160\n276.0 2.584E-20 0.5300\n277.0 1.573E-20 0.5450\n278.0 1.035E-20 0.5590\n279.0 2.451E-20 0.5750\n280.0 2.338E-20 0.5960\n281.0 1.562E-20 0.6160\n282.0 9.728E-21 0.6370\n283.0 7.224E-21 0.6580\n284.0 4.265E-20 0.6770\n285.0 4.050E-20 0.6910\n286.0 2.095E-20 0.7060\n287.0 1.153E-20 0.7210\n288.0 3.169E-20 0.7350\n289.0 3.225E-20 0.7430\n290.0 1.173E-20 0.7330\n291.0 1.836E-20 0.7230\n292.0 7.973E-21 0.7120\n293.0 3.128E-20 0.7020\n294.0 7.154E-20 0.6910\n295.0 4.054E-20 0.6810\n296.0 2.474E-20 0.6710\n297.0 1.367E-20 0.6600\n298.0 4.217E-20 0.6500\n299.0 3.175E-20 0.6500\n300.0 9.638E-21 0.6840\n301.0 1.625E-20 0.7170\n302.0 8.537E-21 0.7420\n303.0 3.021E-20 0.7640\n304.0 7.219E-20 0.7700\n305.0 4.752E-20 0.7320\n306.0 4.292E-20 0.6940\n307.0 1.781E-20 0.6990\n308.0 1.385E-20 0.7200\n309.0 3.252E-20 0.7320\n310.0 1.737E-20 0.7200\n311.0 4.623E-21 0.7070\n312.0 1.188E-20 0.7070\n313.0 9.064E-21 0.7120\n314.0 5.637E-20 0.7110\n315.0 5.565E-20 0.6940\n316.0 2.561E-20 0.6770\n317.0 5.777E-20 0.6720\n318.0 3.151E-20 0.6700\n319.0 9.779E-21 0.6680\n320.0 1.194E-20 0.6660\n321.0 1.598E-20 0.6640\n322.0 7.216E-21 0.6430\n323.0 3.281E-21 0.6160\n324.0 8.584E-21 0.5890\n325.0 1.578E-20 0.5620\n326.0 6.876E-20 0.5350\n327.0 4.370E-20 0.4820\n328.0 1.220E-20 0.4200\n329.0 3.120E-20 0.3830\n330.0 3.865E-20 0.4250\n331.0 1.412E-20 0.4660\n332.0 3.474E-21 0.4270\n333.0 2.135E-21 0.3610\n334.0 1.587E-21 0.2870\n335.0 9.670E-22 0.1920\n336.0 1.261E-21 0.0960\n337.0 3.825E-21 0.0630\n338.0 1.919E-20 0.0500\n339.0 5.381E-20 0.0330\n340.0 3.151E-20 0.0000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/HCHOR_06", "content": "HCHOR-06 \n! HCHO + HV = HCO. + H. \n! IUPAC Subcommittee on Gas Kinetic Data Evaluation Data Sheet P1 \n! This datasheet updated: 16th May 2002. \n! Website: http://www.iupac-kinetic.ch.cam.ac.uk/. \n! IUPAC recommendations used for both absorption cross sections and quantum yield\n! \nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n240.0 7.820E-22 0.2700\n241.0 7.750E-22 0.2720\n242.0 1.227E-21 0.2740\n243.0 1.591E-21 0.2760\n244.0 1.096E-21 0.2780\n245.0 1.313E-21 0.2800\n246.0 1.634E-21 0.2820\n247.0 1.511E-21 0.2840\n248.0 2.338E-21 0.2860\n249.0 3.178E-21 0.2880\n250.0 2.572E-21 0.2900\n251.0 2.039E-21 0.2910\n252.0 3.366E-21 0.2920\n253.0 2.894E-21 0.2930\n254.0 3.417E-21 0.2940\n255.0 4.502E-21 0.2950\n256.0 6.282E-21 0.2960\n257.0 4.430E-21 0.2970\n258.0 3.073E-21 0.2980\n259.0 6.174E-21 0.2990\n260.0 6.045E-21 0.3000\n261.0 6.591E-21 0.3140\n262.0 6.033E-21 0.3290\n263.0 1.077E-20 0.3430\n264.0 9.465E-21 0.3570\n265.0 5.305E-21 0.3710\n266.0 5.387E-21 0.3860\n267.0 1.360E-20 0.4000\n268.0 1.243E-20 0.4140\n269.0 9.908E-21 0.4290\n270.0 9.626E-21 0.4430\n271.0 1.941E-20 0.4580\n272.0 1.430E-20 0.4720\n273.0 8.106E-21 0.4870\n274.0 6.575E-21 0.5010\n275.0 2.143E-20 0.5160\n276.0 2.584E-20 0.5300\n277.0 1.573E-20 0.5450\n278.0 1.035E-20 0.5590\n279.0 2.451E-20 0.5750\n280.0 2.338E-20 0.5960\n281.0 1.562E-20 0.6160\n282.0 9.728E-21 0.6370\n283.0 7.224E-21 0.6580\n284.0 4.265E-20 0.6770\n285.0 4.050E-20 0.6910\n286.0 2.095E-20 0.7060\n287.0 1.153E-20 0.7210\n288.0 3.169E-20 0.7350\n289.0 3.225E-20 0.7430\n290.0 1.173E-20 0.7330\n291.0 1.836E-20 0.7230\n292.0 7.973E-21 0.7120\n293.0 3.128E-20 0.7020\n294.0 7.154E-20 0.6910\n295.0 4.054E-20 0.6810\n296.0 2.474E-20 0.6710\n297.0 1.367E-20 0.6600\n298.0 4.217E-20 0.6500\n299.0 3.175E-20 0.6500\n300.0 9.638E-21 0.6840\n301.0 1.625E-20 0.7170\n302.0 8.537E-21 0.7420\n303.0 3.021E-20 0.7640\n304.0 7.219E-20 0.7700\n305.0 4.752E-20 0.7320\n306.0 4.292E-20 0.6940\n307.0 1.781E-20 0.6990\n308.0 1.385E-20 0.7200\n309.0 3.252E-20 0.7320\n310.0 1.737E-20 0.7200\n311.0 4.623E-21 0.7070\n312.0 1.188E-20 0.7070\n313.0 9.064E-21 0.7120\n314.0 5.637E-20 0.7110\n315.0 5.565E-20 0.6940\n316.0 2.561E-20 0.6770\n317.0 5.777E-20 0.6720\n318.0 3.151E-20 0.6700\n319.0 9.779E-21 0.6680\n320.0 1.194E-20 0.6660\n321.0 1.598E-20 0.6640\n322.0 7.216E-21 0.6430\n323.0 3.281E-21 0.6160\n324.0 8.584E-21 0.5890\n325.0 1.578E-20 0.5620\n326.0 6.876E-20 0.5350\n327.0 4.370E-20 0.4820\n328.0 1.220E-20 0.4200\n329.0 3.120E-20 0.3830\n330.0 3.865E-20 0.4250\n331.0 1.412E-20 0.4660\n332.0 3.474E-21 0.4270\n333.0 2.135E-21 0.3610\n334.0 1.587E-21 0.2870\n335.0 9.670E-22 0.1920\n336.0 1.261E-21 0.0960\n337.0 3.825E-21 0.0630\n338.0 1.919E-20 0.0500\n339.0 5.381E-20 0.0330\n340.0 3.151E-20 0.0000\n341.0 9.783E-21 0.0000\n342.0 5.093E-21 0.0000\n343.0 1.922E-20 0.0000\n344.0 1.268E-20 0.0000\n345.0 4.369E-21 0.0000\n346.0 1.190E-21 0.0000\n347.0 4.410E-22 0.0000\n348.0 7.540E-22 0.0000\n349.0 3.790E-22 0.0000\n350.0 3.620E-22 0.0000\n351.0 8.930E-22 0.0000\n352.0 7.295E-21 0.0000\n353.0 2.275E-20 0.0000\n354.0 1.645E-20 0.0000\n355.0 6.964E-21 0.0000\n356.0 1.483E-21 0.0000\n357.0 3.450E-22 0.0000\n358.0 1.860E-22 0.0000\n359.0 1.110E-22 0.0000\n360.0 8.700E-23 0.0000\n361.0 1.000E-22 0.0000\n362.0 2.110E-22 0.0000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/HCHO_MOL_JPL19", "content": "HCHO_MOL_JPL19\n! HCHO + HV = CO + H2\n! Source: Chemical Kinetics and Photochemical Data for Use in Atmospheric Studies, Evaluation No.\n! 19,\" JPL Publication 19-5, Jet Propulsion Laboratory, Pasadena,\n! 2019 http://jpldataeval.jpl.nasa.gov\n! Absorption x-section from Table 4D-2 (Recommended Absorption Cross Sections of CH2O at 298 K and Temperature Coefficients Averaged over 1 nm Intervals)\n! Quantum yield from Table 4D-4 (Recommended CH2O Photolysis Quantum Yields at 300 K and 1 Atmosphere)\n! Supplied by Dr. William Stockwell, reformatted by Dr. Golam Sarwar to make it compatible with CMAQ\n!\nPoints\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n226\t1.93E-22\t0.000\n227\t1.82E-22\t0.000\n228\t1.91E-22\t0.000\n229\t2.05E-22\t0.000\n230\t2.21E-22\t0.000\n231\t3.56E-22\t0.000\n232\t3.62E-22\t0.000\n233\t2.83E-22\t0.000\n234\t3.51E-22\t0.000\n235\t3.92E-22\t0.000\n236\t5.82E-22\t0.000\n237\t8.33E-22\t0.000\n238\t6.14E-22\t0.000\n239\t7.37E-22\t0.000\n240\t8.45E-22\t0.000\n241\t8.37E-22\t0.000\n242\t1.33E-21\t0.000\n243\t1.72E-21\t0.000\n244\t1.18E-21\t0.000\n245\t1.42E-21\t0.000\n246\t1.76E-21\t0.000\n247\t1.63E-21\t0.000\n248\t2.53E-21\t0.000\n249\t3.43E-21\t0.000\n250\t2.78E-21\t0.490\n251\t2.20E-21\t0.492\n252\t3.64E-21\t0.493\n253\t3.12E-21\t0.494\n254\t3.69E-21\t0.495\n255\t4.86E-21\t0.496\n256\t6.79E-21\t0.496\n257\t4.78E-21\t0.497\n258\t3.32E-21\t0.497\n259\t6.67E-21\t0.496\n260\t6.52E-21\t0.493\n261\t7.13E-21\t0.490\n262\t6.50E-21\t0.487\n263\t1.17E-20\t0.485\n264\t1.02E-20\t0.482\n265\t5.72E-21\t0.477\n266\t5.81E-21\t0.471\n267\t1.47E-20\t0.465\n268\t1.34E-20\t0.458\n269\t1.07E-20\t0.450\n270\t1.04E-20\t0.441\n271\t2.10E-20\t0.432\n272\t1.54E-20\t0.422\n273\t8.75E-21\t0.412\n274\t7.10E-21\t0.401\n275\t2.32E-20\t0.391\n276\t2.80E-20\t0.380\n277\t1.70E-20\t0.371\n278\t1.11E-20\t0.362\n279\t2.65E-20\t0.356\n280\t2.53E-20\t0.347\n281\t1.68E-20\t0.337\n282\t1.05E-20\t0.329\n283\t7.78E-21\t0.321\n284\t4.61E-20\t0.313\n285\t4.37E-20\t0.307\n286\t2.26E-20\t0.302\n287\t1.24E-20\t0.296\n288\t3.42E-20\t0.291\n289\t3.48E-20\t0.284\n290\t1.26E-20\t0.278\n291\t1.99E-20\t0.272\n292\t8.60E-21\t0.266\n293\t3.36E-20\t0.262\n294\t7.72E-20\t0.259\n295\t4.38E-20\t0.256\n296\t2.68E-20\t0.254\n297\t1.47E-20\t0.252\n298\t4.56E-20\t0.249\n299\t3.42E-20\t0.245\n300\t1.04E-20\t0.242\n301\t1.76E-20\t0.239\n302\t9.20E-21\t0.238\n303\t3.26E-20\t0.238\n304\t7.81E-20\t0.238\n305\t5.12E-20\t0.240\n306\t4.63E-20\t0.242\n307\t1.92E-20\t0.246\n308\t1.49E-20\t0.251\n309\t3.52E-20\t0.256\n310\t1.88E-20\t0.263\n311\t4.98E-21\t0.271\n312\t1.28E-20\t0.280\n313\t9.74E-21\t0.291\n314\t6.10E-20\t0.302\n315\t6.00E-20\t0.315\n316\t2.74E-20\t0.329\n317\t6.25E-20\t0.344\n318\t3.40E-20\t0.361\n319\t1.05E-20\t0.378\n320\t1.28E-20\t0.397\n321\t1.73E-20\t0.417\n322\t7.79E-21\t0.439\n323\t3.53E-21\t0.461\n324\t9.30E-21\t0.485\n325\t1.66E-20\t0.511\n326\t7.42E-20\t0.537\n327\t4.72E-20\t0.565\n328\t1.32E-20\t0.594\n329\t3.37E-20\t0.625\n330\t4.17E-20\t0.657\n331\t1.52E-20\t0.690\n332\t3.74E-21\t0.714\n333\t2.31E-21\t0.730\n334\t1.72E-21\t0.737\n335\t1.04E-21\t0.735\n336\t1.36E-21\t0.724\n337\t4.14E-21\t0.705\n338\t2.07E-20\t0.687\n339\t5.94E-20\t0.665\n340\t3.40E-20\t0.645\n341\t1.06E-20\t0.620\n342\t5.44E-21\t0.590\n343\t2.07E-20\t0.560\n344\t1.37E-20\t0.530\n345\t4.71E-21\t0.505\n346\t1.28E-21\t0.480\n347\t4.76E-22\t0.450\n348\t8.18E-22\t0.425\n349\t4.08E-22\t0.400\n350\t3.89E-22\t0.375\n351\t9.66E-22\t0.350\n352\t7.90E-21\t0.320\n353\t2.46E-20\t0.285\n354\t1.78E-20\t0.250\n355\t7.52E-21\t0.220\n356\t1.60E-21\t0.190\n357\t3.72E-22\t0.160\n358\t2.01E-22\t0.130\n359\t1.20E-22\t0.090\n360\t9.40E-23\t0.040\n361\t1.08E-22\t0.000\n362\t2.28E-22\t0.000\n363\t1.52E-22\t0.000\n364\t1.02E-22\t0.000\n365\t9.50E-23\t0.000\n366\t9.18E-23\t0.000\n367\t9.83E-23\t0.000\n368\t1.54E-22\t0.000\n369\t3.21E-22\t0.000\n370\t6.87E-22\t0.000\n371\t6.18E-22\t0.000\n372\t2.13E-22\t0.000\n373\t1.22E-22\t0.000\n374\t9.83E-23\t0.000\n375\t9.40E-23\t0.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/HCHO_MOL_RACM2", "content": "HCHO_MOL_RACM2\n! HCHO + HV = CO + H2\n! Absorption x-section from NASA - 2006 \n! Quantum yield from NASA - 2006 \n! Supplied by Dr. Wendy Goliff, reformatted by Dr. Golam Sarwar to make it compatible with CMAQ\nPoints \n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n186.1 0.000E+00 0.000\n187.8 0.000E+00 0.000\n189.6 0.000E+00 0.000\n191.4 0.000E+00 0.000\n193.3 0.000E+00 0.000\n195.2 0.000E+00 0.000\n197.1 0.000E+00 0.000\n199.0 0.000E+00 0.000\n201.0 0.000E+00 0.000\n203.1 0.000E+00 0.000\n205.2 0.000E+00 0.000\n207.3 0.000E+00 0.000\n209.4 0.000E+00 0.000\n211.7 0.000E+00 0.000\n213.9 0.000E+00 0.000\n216.2 0.000E+00 0.000\n218.6 0.000E+00 0.000\n221.0 0.000E+00 0.000\n223.5 0.000E+00 0.000\n226.0 0.166E-21 0.000\n228.6 0.181E-21 0.000\n231.3 0.303E-21 0.000\n234.0 0.313E-21 0.000\n236.7 0.625E-21 0.000\n239.6 0.704E-21 0.000\n242.5 0.126E-20 0.000\n245.4 0.139E-20 0.000\n248.5 0.254E-20 0.000\n251.6 0.270E-20 0.491\n254.8 0.449E-20 0.497\n258.2 0.478E-20 0.488\n261.5 0.698E-20 0.470\n265.0 0.736E-20 0.454\n268.5 0.113E-19 0.431\n272.2 0.130E-19 0.401\n275.9 0.184E-19 0.368\n279.8 0.186E-19 0.343\n283.7 0.255E-19 0.315\n287.8 0.233E-19 0.292\n292.0 0.266E-19 0.266\n296.3 0.328E-19 0.255\n300.5 0.160E-19 0.241\n303.0 0.302E-19 0.238\n304.0 0.723E-19 0.238\n305.0 0.474E-19 0.240\n306.0 0.429E-19 0.242\n307.0 0.178E-19 0.246\n308.0 0.138E-19 0.251\n309.0 0.326E-19 0.256\n310.0 0.174E-19 0.263\n311.0 0.461E-20 0.271\n312.0 0.119E-19 0.280\n313.0 0.902E-20 0.291\n314.0 0.565E-19 0.302\n316.0 0.254E-19 0.329\n320.0 0.153E-19 0.397\n325.0 0.279E-19 0.489\n330.0 0.199E-19 0.657\n335.0 0.196E-20 0.735\n340.0 0.239E-19 0.650\n345.0 0.758E-20 0.500\n350.0 0.194E-20 0.380\n355.0 0.961E-20 0.220\n360.0 0.139E-21 0.004\n365.0 0.100E-22 0.000\n370.0 0.369E-21 0.000\n375.0 0.870E-22 0.000\n380.0 0.000E+00 0.000\n385.0 0.000E+00 0.000\n390.0 0.000E+00 0.000\n395.0 0.000E+00 0.000\n400.0 0.000E+00 0.000\n405.0 0.000E+00 0.000\n410.0 0.000E+00 0.000\n415.0 0.000E+00 0.000\n420.0 0.000E+00 0.000\n425.0 0.000E+00 0.000\n430.0 0.000E+00 0.000\n435.0 0.000E+00 0.000\n440.0 0.000E+00 0.000\n445.0 0.000E+00 0.000\n450.0 0.000E+00 0.000\n455.0 0.000E+00 0.000\n460.0 0.000E+00 0.000\n465.0 0.000E+00 0.000\n470.0 0.000E+00 0.000\n475.0 0.000E+00 0.000\n480.0 0.000E+00 0.000\n485.0 0.000E+00 0.000\n490.0 0.000E+00 0.000\n495.0 0.000E+00 0.000\n500.0 0.000E+00 0.000\n505.0 0.000E+00 0.000\n510.0 0.000E+00 0.000\n515.0 0.000E+00 0.000\n520.0 0.000E+00 0.000\n525.0 0.000E+00 0.000\n530.0 0.000E+00 0.000\n535.0 0.000E+00 0.000\n540.0 0.000E+00 0.000\n545.0 0.000E+00 0.000\n550.0 0.000E+00 0.000\n555.0 0.000E+00 0.000\n560.0 0.000E+00 0.000\n565.0 0.000E+00 0.000\n570.0 0.000E+00 0.000\n575.0 0.000E+00 0.000\n580.0 0.000E+00 0.000\n585.0 0.000E+00 0.000\n590.0 0.000E+00 0.000\n595.0 0.000E+00 0.000\n600.0 0.000E+00 0.000\n605.0 0.000E+00 0.000\n610.0 0.000E+00 0.000\n615.0 0.000E+00 0.000\n620.0 0.000E+00 0.000\n625.0 0.000E+00 0.000\n630.0 0.000E+00 0.000\n635.0 0.000E+00 0.000\n640.0 0.000E+00 0.000\n644.8 0.000E+00 0.000\n651.0 0.000E+00 0.000\n660.0 0.000E+00 0.000\n670.0 0.000E+00 0.000\n680.0 0.000E+00 0.000\n690.0 0.000E+00 0.000\n700.0 0.000E+00 0.000\n710.0 0.000E+00 0.000\n720.0 0.000E+00 0.000\n730.0 0.000E+00 0.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/HCHO_M_MCMv32", "content": "HCHO_M_MCMv32\n!HCHO (298K and 1 atm) photolysis quantum yields for the non radical (H2 + CO) channel \n!HCHO->H2+CO \n!Recommendation of IUPAC 2013 \n!http://iupac.pole-ether.fr/htdocs/datasheets/pdf/P1_HCHO+hv.pdf \n!J12 in MCM v3.2:HCHO->H2+CO \n!\n!\n!XC from: \n! Meller, R. E. and Moortgat, G. K.: J. Geophys.Res., 105, 7089, 2000.\n!QY is constructed by IUPAC from\n! Moortgat, G. K., Seiler, W., and Warneck, P., J. Chem. Phys. 78, 1185, 1983.\n!Note: XC have temperature dependence QY for J12 has pressure correction for wvl\n! greater than 330 nm.\n! \n!wvl(nm) XC(cm2) H2+CO H+HCO Total\nPoints \n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n240.0 7.800E-22 0.7300 0.2700 0.8000\n250.0 2.570E-21 0.4800 0.3200 0.8000\n260.0 6.050E-21 0.4900 0.3100 0.8000\n269.0 9.910E-21 0.4100 0.4000 0.8100\n279.0 2.451E-20 0.3200 0.5600 0.8800\n280.0 2.338E-20 0.3000 0.5800 0.8800\n281.0 1.562E-20 0.2700 0.6000 0.8700\n282.0 9.730E-21 0.2700 0.6200 0.8900\n283.0 7.220E-21 0.2500 0.6400 0.8900\n284.0 4.265E-20 0.2600 0.6500 0.9100\n285.0 4.050E-20 0.3100 0.6700 0.9800\n286.0 2.095E-20 0.3200 0.6800 1.0000\n287.0 1.153E-20 0.3000 0.7000 1.0000\n288.0 3.169E-20 0.2900 0.7100 1.0000\n289.0 3.225E-20 0.2900 0.7100 1.0000\n290.0 1.173E-20 0.2800 0.7200 1.0000\n291.0 1.836E-20 0.2700 0.7300 1.0000\n292.0 7.970E-21 0.2700 0.7300 1.0000\n293.0 3.128E-20 0.2600 0.7400 1.0000\n294.0 7.154E-20 0.3000 0.7000 1.0000\n295.0 4.054E-20 0.2100 0.7900 1.0000\n296.0 2.474E-20 0.2400 0.7600 1.0000\n297.0 1.367E-20 0.2800 0.7400 1.0000\n298.0 4.217E-20 0.3300 0.6700 1.0000\n299.0 3.175E-20 0.3500 0.6500 1.0000\n300.0 9.640E-21 0.3000 0.7000 1.0000\n301.0 1.625E-20 0.3000 0.7000 1.0000\n302.0 8.540E-21 0.2700 0.7300 1.0000\n303.0 3.021E-20 0.2860 0.7140 1.0000\n304.0 7.219E-20 0.2500 0.7500 1.0000\n305.0 4.752E-20 0.2900 0.7100 1.0000\n306.0 4.292E-20 0.3580 0.6420 1.0000\n307.0 1.781E-20 0.3200 0.6800 1.0000\n308.0 1.385E-20 0.3000 0.7000 1.0000\n309.0 3.252E-20 0.2900 0.7100 1.0000\n310.0 1.737E-20 0.3000 0.7000 1.0000\n311.0 4.620E-21 0.3200 0.6800 1.0000\n312.0 1.188E-20 0.3310 0.6690 1.0000\n313.0 9.060E-21 0.2700 0.7300 1.0000\n314.0 5.637E-20 0.3190 0.6810 1.0000\n315.0 5.565E-20 0.2200 0.7800 1.0000\n316.0 2.561E-20 0.2500 0.7500 1.0000\n317.0 5.777E-20 0.3470 0.6530 1.0000\n318.0 3.151E-20 0.3400 0.6600 1.0000\n319.0 9.780E-21 0.4310 0.5790 1.0000\n320.0 1.194E-20 0.4000 0.6000 1.0000\n321.0 1.598E-20 0.3500 0.6500 1.0000\n322.0 7.220E-21 0.4200 0.5800 1.0000\n323.0 3.280E-21 0.5250 0.4750 1.0000\n324.0 8.580E-21 0.5100 0.4900 1.0000\n325.0 1.578E-20 0.5400 0.4600 1.0000\n326.0 6.876E-20 0.4940 0.5060 1.0000\n327.0 4.370E-20 0.5000 0.5000 1.0000\n328.0 1.220E-20 0.6000 0.4000 1.0000\n329.0 3.120E-20 0.6710 0.3290 1.0000\n330.0 3.865E-20 0.6200 0.3800 1.0000\n331.0 1.412E-20 0.4300 0.4600 0.8900\n332.0 3.470E-21 0.4500 0.3700 0.8200\n333.0 2.140E-21 0.4800 0.2400 0.7200\n334.0 1.590E-21 0.5100 0.1120 0.6220\n335.0 9.700E-22 0.5600 0.0700 0.6300\n336.0 1.260E-21 0.6200 0.0550 0.6750\n337.0 3.830E-21 0.6100 0.0350 0.6450\n338.0 1.919E-20 0.5800 0.0100 0.5900\n339.0 5.381E-20 0.5800 0.0110 0.5910\n340.0 3.151E-20 0.6400 0.0100 0.6500\n341.0 9.780E-21 0.6100 0.0080 0.6180\n342.0 5.090E-21 0.5800 0.0080 0.5880\n343.0 1.922E-20 0.5500 0.0080 0.5580\n344.0 1.268E-20 0.5100 0.0070 0.5170\n345.0 4.370E-21 0.5000 0.0070 0.5070\n346.0 1.190E-21 0.4700 0.0070 0.4770\n347.0 4.400E-22 0.4400 0.0070 0.4470\n348.0 7.500E-22 0.4200 0.0070 0.4270\n349.0 3.800E-22 0.3800 0.0060 0.3860\n350.0 3.600E-22 0.3600 0.0060 0.3660\n351.0 8.900E-22 0.3300 0.0050 0.3350\n352.0 7.300E-21 0.3000 0.0050 0.3050\n353.0 2.275E-20 0.2800 0.0050 0.2850\n354.0 1.645E-20 0.2500 0.0050 0.2550\n355.0 6.960E-21 0.1200 0.0050 0.1250\n356.0 1.480E-21 0.1000 0.0000 0.1000\n357.0 3.500E-22 0.0700 0.0000 0.0700\n358.0 1.900E-22 0.0400 0.0000 0.0400\n359.0 1.100E-22 0.0100 0.0000 0.0100\n360.0 9.000E-23 0.0000 0.0000 0.0000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/HCHO_M_SAPRC99", "content": "HCHO_M\n! HCHO + HV = H2 + CO\n! SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\n! Created from PhotDat.xls on 29-Jan-2000 10:07\nPoints (the mechanism was evaluated assuming this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n240.0 6.400E-22 0.490\n241.0 5.600E-22 0.490\n242.0 1.050E-21 0.490\n243.0 1.150E-21 0.490\n244.0 8.200E-22 0.490\n245.0 1.030E-21 0.490\n246.0 9.800E-22 0.490\n247.0 1.350E-21 0.490\n248.0 1.910E-21 0.490\n249.0 2.820E-21 0.490\n250.0 2.050E-21 0.490\n251.0 1.700E-21 0.490\n252.0 2.880E-21 0.490\n253.0 2.550E-21 0.490\n254.0 2.550E-21 0.490\n255.0 3.600E-21 0.490\n256.0 5.090E-21 0.490\n257.0 3.390E-21 0.490\n258.0 2.260E-21 0.490\n259.0 5.040E-21 0.490\n260.0 5.050E-21 0.490\n261.0 5.490E-21 0.484\n262.0 5.200E-21 0.478\n263.0 9.330E-21 0.472\n264.0 8.230E-21 0.466\n265.0 4.300E-21 0.460\n266.0 4.950E-21 0.454\n267.0 1.240E-20 0.448\n268.0 1.110E-20 0.442\n269.0 8.780E-21 0.436\n270.0 9.360E-21 0.430\n271.0 1.790E-20 0.419\n272.0 1.230E-20 0.408\n273.0 6.450E-21 0.397\n274.0 6.560E-21 0.386\n275.0 2.230E-20 0.375\n276.0 2.420E-20 0.364\n277.0 1.400E-20 0.353\n278.0 1.050E-20 0.342\n279.0 2.550E-20 0.331\n280.0 2.080E-20 0.320\n281.0 1.480E-20 0.312\n282.0 8.810E-21 0.304\n283.0 1.070E-20 0.296\n284.0 4.490E-20 0.288\n285.0 3.590E-20 0.280\n286.0 1.960E-20 0.272\n287.0 1.300E-20 0.264\n288.0 3.360E-20 0.256\n289.0 2.840E-20 0.248\n290.0 1.300E-20 0.240\n291.0 1.750E-20 0.237\n292.0 8.320E-21 0.234\n293.0 3.730E-20 0.231\n294.0 6.540E-20 0.228\n295.0 3.950E-20 0.225\n296.0 2.330E-20 0.222\n297.0 1.510E-20 0.219\n298.0 4.040E-20 0.216\n299.0 2.870E-20 0.213\n300.0 8.710E-21 0.210\n301.0 1.720E-20 0.211\n302.0 1.060E-20 0.212\n303.0 3.200E-20 0.213\n304.0 6.900E-20 0.214\n305.0 4.910E-20 0.215\n306.0 4.630E-20 0.216\n307.0 2.100E-20 0.217\n308.0 1.490E-20 0.218\n309.0 3.410E-20 0.219\n310.0 1.950E-20 0.220\n311.0 5.210E-21 0.236\n312.0 1.120E-20 0.252\n313.0 1.120E-20 0.268\n314.0 4.750E-20 0.284\n315.0 5.250E-20 0.300\n316.0 2.900E-20 0.316\n317.0 5.370E-20 0.332\n318.0 2.980E-20 0.348\n319.0 9.180E-21 0.364\n320.0 1.260E-20 0.380\n321.0 1.530E-20 0.408\n322.0 6.690E-21 0.436\n323.0 3.450E-21 0.464\n324.0 8.160E-21 0.492\n325.0 1.850E-20 0.520\n326.0 5.950E-20 0.548\n327.0 3.490E-20 0.576\n328.0 1.090E-20 0.604\n329.0 3.350E-20 0.632\n330.0 3.320E-20 0.660\n331.0 1.070E-20 0.650\n332.0 2.890E-21 0.640\n333.0 2.150E-21 0.630\n334.0 1.710E-21 0.620\n335.0 1.430E-21 0.610\n336.0 1.940E-21 0.600\n337.0 4.170E-21 0.590\n338.0 2.360E-20 0.580\n339.0 4.710E-20 0.570\n340.0 2.480E-20 0.560\n341.0 7.590E-21 0.525\n342.0 6.810E-21 0.490\n343.0 1.950E-20 0.455\n344.0 1.140E-20 0.420\n345.0 3.230E-21 0.385\n346.0 1.130E-21 0.350\n347.0 6.600E-22 0.315\n348.0 1.220E-21 0.280\n349.0 3.200E-22 0.245\n350.0 3.800E-22 0.210\n351.0 1.040E-21 0.192\n352.0 7.130E-21 0.174\n353.0 2.210E-20 0.156\n354.0 1.540E-20 0.138\n355.0 6.760E-21 0.120\n356.0 1.350E-21 0.102\n357.0 3.600E-22 0.084\n358.0 5.700E-23 0.066\n359.0 5.800E-22 0.048\n360.0 8.200E-22 0.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/HCHO_RAD_JPL19", "content": "HCHO_RAD_JPL19\n! HCHO + HV = HO2 + HO2 + CO \n! Source: Chemical Kinetics and Photochemical Data for Use in Atmospheric Studies, Evaluation No.\n! 19,\" JPL Publication 19-5, Jet Propulsion Laboratory, Pasadena,\n! 2019 http://jpldataeval.jpl.nasa.gov\n! Absorption x-section from Table 4D-2 (Recommended Absorption Cross Sections of CH2O at 298 K and Temperature Coefficients Averaged over 1 nm Intervals)\n! Quantum yield from Table 4D-4 (Recommended CH2O Photolysis Quantum Yields at 300 K and 1 Atmosphere)\n! Supplied by Dr. William Stockwell, reformatted by Dr. Golam Sarwar to make it compatible with CMAQ\n!\nPoints\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n226\t1.93E-22\t0.000\n227\t1.82E-22\t0.000\n228\t1.91E-22\t0.000\n229\t2.05E-22\t0.000\n230\t2.21E-22\t0.000\n231\t3.56E-22\t0.000\n232\t3.62E-22\t0.000\n233\t2.83E-22\t0.000\n234\t3.51E-22\t0.000\n235\t3.92E-22\t0.000\n236\t5.82E-22\t0.000\n237\t8.33E-22\t0.000\n238\t6.14E-22\t0.000\n239\t7.37E-22\t0.000\n240\t8.45E-22\t0.000\n241\t8.37E-22\t0.000\n242\t1.33E-21\t0.000\n243\t1.72E-21\t0.000\n244\t1.18E-21\t0.000\n245\t1.42E-21\t0.000\n246\t1.76E-21\t0.000\n247\t1.63E-21\t0.000\n248\t2.53E-21\t0.000\n249\t3.43E-21\t0.000\n250\t2.78E-21\t0.310\n251\t2.20E-21\t0.308\n252\t3.64E-21\t0.307\n253\t3.12E-21\t0.306\n254\t3.69E-21\t0.305\n255\t4.86E-21\t0.304\n256\t6.79E-21\t0.304\n257\t4.78E-21\t0.303\n258\t3.32E-21\t0.303\n259\t6.67E-21\t0.304\n260\t6.52E-21\t0.307\n261\t7.13E-21\t0.312\n262\t6.50E-21\t0.318\n263\t1.17E-20\t0.325\n264\t1.02E-20\t0.333\n265\t5.72E-21\t0.343\n266\t5.81E-21\t0.354\n267\t1.47E-20\t0.365\n268\t1.34E-20\t0.377\n269\t1.07E-20\t0.390\n270\t1.04E-20\t0.404\n271\t2.10E-20\t0.418\n272\t1.54E-20\t0.433\n273\t8.75E-21\t0.448\n274\t7.10E-21\t0.464\n275\t2.32E-20\t0.479\n276\t2.80E-20\t0.495\n277\t1.70E-20\t0.512\n278\t1.11E-20\t0.528\n279\t2.65E-20\t0.544\n280\t2.53E-20\t0.560\n281\t1.68E-20\t0.576\n282\t1.05E-20\t0.591\n283\t7.78E-21\t0.606\n284\t4.61E-20\t0.620\n285\t4.37E-20\t0.633\n286\t2.26E-20\t0.645\n287\t1.24E-20\t0.657\n288\t3.42E-20\t0.669\n289\t3.48E-20\t0.680\n290\t1.26E-20\t0.690\n291\t1.99E-20\t0.700\n292\t8.60E-21\t0.710\n293\t3.36E-20\t0.718\n294\t7.72E-20\t0.726\n295\t4.38E-20\t0.734\n296\t2.68E-20\t0.740\n297\t1.47E-20\t0.746\n298\t4.56E-20\t0.751\n299\t3.42E-20\t0.755\n300\t1.04E-20\t0.758\n301\t1.76E-20\t0.761\n302\t9.20E-21\t0.762\n303\t3.26E-20\t0.762\n304\t7.81E-20\t0.762\n305\t5.12E-20\t0.760\n306\t4.63E-20\t0.758\n307\t1.92E-20\t0.754\n308\t1.49E-20\t0.749\n309\t3.52E-20\t0.744\n310\t1.88E-20\t0.737\n311\t4.98E-21\t0.729\n312\t1.28E-20\t0.720\n313\t9.74E-21\t0.709\n314\t6.10E-20\t0.698\n315\t6.00E-20\t0.685\n316\t2.74E-20\t0.671\n317\t6.25E-20\t0.656\n318\t3.40E-20\t0.639\n319\t1.05E-20\t0.622\n320\t1.28E-20\t0.603\n321\t1.73E-20\t0.583\n322\t7.79E-21\t0.561\n323\t3.53E-21\t0.539\n324\t9.30E-21\t0.515\n325\t1.66E-20\t0.489\n326\t7.42E-20\t0.463\n327\t4.72E-20\t0.435\n328\t1.32E-20\t0.406\n329\t3.37E-20\t0.375\n330\t4.17E-20\t0.343\n331\t1.52E-20\t0.310\n332\t3.74E-21\t0.276\n333\t2.31E-21\t0.240\n334\t1.72E-21\t0.203\n335\t1.04E-21\t0.165\n336\t1.36E-21\t0.126\n337\t4.14E-21\t0.085\n338\t2.07E-20\t0.043\n339\t5.94E-20\t0.000\n340\t3.40E-20\t0.000\n341\t1.06E-20\t0.000\n342\t5.44E-21\t0.000\n343\t2.07E-20\t0.000\n344\t1.37E-20\t0.000\n345\t4.71E-21\t0.000\n346\t1.28E-21\t0.000\n347\t4.76E-22\t0.000\n348\t8.18E-22\t0.000\n349\t4.08E-22\t0.000\n350\t3.89E-22\t0.000\n351\t9.66E-22\t0.000\n352\t7.90E-21\t0.000\n353\t2.46E-20\t0.000\n354\t1.78E-20\t0.000\n355\t7.52E-21\t0.000\n356\t1.60E-21\t0.000\n357\t3.72E-22\t0.000\n358\t2.01E-22\t0.000\n359\t1.20E-22\t0.000\n360\t9.40E-23\t0.000\n361\t1.08E-22\t0.000\n362\t2.28E-22\t0.000\n363\t1.52E-22\t0.000\n364\t1.02E-22\t0.000\n365\t9.50E-23\t0.000\n366\t9.18E-23\t0.000\n367\t9.83E-23\t0.000\n368\t1.54E-22\t0.000\n369\t3.21E-22\t0.000\n370\t6.87E-22\t0.000\n371\t6.18E-22\t0.000\n372\t2.13E-22\t0.000\n373\t1.22E-22\t0.000\n374\t9.83E-23\t0.000\n375\t9.40E-23\t0.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/HCHO_RAD_RACM2", "content": "HCHO_RAD_RACM2\n! HCHO + HV = HO2 + HO2 + CO \n! Absorption x-section from NASA - 2006 \n! Quantum yield from NASA - 2006 \n! Supplied by Dr. Wendy Goliff, reformatted by Dr. Golam Sarwar to make it compatible with CMAQ\nPoints \n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n186.1 0.000E+00 0.000\n187.8 0.000E+00 0.000\n189.6 0.000E+00 0.000\n191.4 0.000E+00 0.000\n193.3 0.000E+00 0.000\n195.2 0.000E+00 0.000\n197.1 0.000E+00 0.000\n199.0 0.000E+00 0.000\n201.0 0.000E+00 0.000\n203.1 0.000E+00 0.000\n205.2 0.000E+00 0.000\n207.3 0.000E+00 0.000\n209.4 0.000E+00 0.000\n211.7 0.000E+00 0.000\n213.9 0.000E+00 0.000\n216.2 0.000E+00 0.000\n218.6 0.000E+00 0.000\n221.0 0.000E+00 0.000\n223.5 0.000E+00 0.000\n226.0 0.166E-21 0.000\n228.6 0.181E-21 0.000\n231.3 0.303E-21 0.000\n234.0 0.313E-21 0.000\n236.7 0.625E-21 0.000\n239.6 0.704E-21 0.000\n242.5 0.126E-20 0.000\n245.4 0.139E-20 0.000\n248.5 0.254E-20 0.000\n251.6 0.270E-20 0.309\n254.8 0.449E-20 0.303\n258.2 0.478E-20 0.312\n261.5 0.698E-20 0.333\n265.0 0.736E-20 0.366\n268.5 0.113E-19 0.407\n272.2 0.130E-19 0.455\n275.9 0.184E-19 0.507\n279.8 0.186E-19 0.562\n283.7 0.255E-19 0.616\n287.8 0.233E-19 0.667\n292.0 0.266E-19 0.710\n296.3 0.328E-19 0.742\n300.5 0.160E-19 0.760\n303.0 0.302E-19 0.762\n304.0 0.723E-19 0.762\n305.0 0.474E-19 0.760\n306.0 0.429E-19 0.758\n307.0 0.178E-19 0.754\n308.0 0.138E-19 0.749\n309.0 0.326E-19 0.744\n310.0 0.174E-19 0.737\n311.0 0.461E-20 0.729\n312.0 0.119E-19 0.720\n313.0 0.902E-20 0.709\n314.0 0.565E-19 0.698\n316.0 0.254E-19 0.671\n320.0 0.153E-19 0.603\n325.0 0.279E-19 0.489\n330.0 0.199E-19 0.343\n335.0 0.196E-20 0.165\n340.0 0.239E-19 0.650\n345.0 0.758E-20 0.500\n350.0 0.194E-20 0.380\n355.0 0.961E-20 0.220\n360.0 0.139E-21 0.004\n365.0 0.100E-22 0.000\n370.0 0.369E-21 0.000\n375.0 0.870E-22 0.000\n380.0 0.000E+00 0.000\n385.0 0.000E+00 0.000\n390.0 0.000E+00 0.000\n395.0 0.000E+00 0.000\n400.0 0.000E+00 0.000\n405.0 0.000E+00 0.000\n410.0 0.000E+00 0.000\n415.0 0.000E+00 0.000\n420.0 0.000E+00 0.000\n425.0 0.000E+00 0.000\n430.0 0.000E+00 0.000\n435.0 0.000E+00 0.000\n440.0 0.000E+00 0.000\n445.0 0.000E+00 0.000\n450.0 0.000E+00 0.000\n455.0 0.000E+00 0.000\n460.0 0.000E+00 0.000\n465.0 0.000E+00 0.000\n470.0 0.000E+00 0.000\n475.0 0.000E+00 0.000\n480.0 0.000E+00 0.000\n485.0 0.000E+00 0.000\n490.0 0.000E+00 0.000\n495.0 0.000E+00 0.000\n500.0 0.000E+00 0.000\n505.0 0.000E+00 0.000\n510.0 0.000E+00 0.000\n515.0 0.000E+00 0.000\n520.0 0.000E+00 0.000\n525.0 0.000E+00 0.000\n530.0 0.000E+00 0.000\n535.0 0.000E+00 0.000\n540.0 0.000E+00 0.000\n545.0 0.000E+00 0.000\n550.0 0.000E+00 0.000\n555.0 0.000E+00 0.000\n560.0 0.000E+00 0.000\n565.0 0.000E+00 0.000\n570.0 0.000E+00 0.000\n575.0 0.000E+00 0.000\n580.0 0.000E+00 0.000\n585.0 0.000E+00 0.000\n590.0 0.000E+00 0.000\n595.0 0.000E+00 0.000\n600.0 0.000E+00 0.000\n605.0 0.000E+00 0.000\n610.0 0.000E+00 0.000\n615.0 0.000E+00 0.000\n620.0 0.000E+00 0.000\n625.0 0.000E+00 0.000\n630.0 0.000E+00 0.000\n635.0 0.000E+00 0.000\n640.0 0.000E+00 0.000\n644.8 0.000E+00 0.000\n651.0 0.000E+00 0.000\n660.0 0.000E+00 0.000\n670.0 0.000E+00 0.000\n680.0 0.000E+00 0.000\n690.0 0.000E+00 0.000\n700.0 0.000E+00 0.000\n710.0 0.000E+00 0.000\n720.0 0.000E+00 0.000\n730.0 0.000E+00 0.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/HCHO_R_MCMv32", "content": "HCHO_R_MCMv32\n!HCHO (298K and 1 atm) photolysis quantum yields for the non radical (H2 + CO) channel \n!HCHO->H+HCO \n!Recommendation of IUPAC 2013 \n!http://iupac.pole-ether.fr/htdocs/datasheets/pdf/P1_HCHO+hv.pdf \n!J11 in MCM v3.2:HCHO->H+HCO \n!\n!\n!XC from: \n! Meller, R. E. and Moortgat, G. K.: J. Geophys.Res., 105, 7089, 2000.\n!QY is constructed by IUPAC from\n! Moortgat, G. K., Seiler, W., and Warneck, P., J. Chem. Phys. 78, 1185, 1983.\n!Note: XC have temperature dependence QY for J12 has pressure correction for wvl\n! greater than 330 nm.\n! \n!wvl(nm) XC(cm2) H2+CO H+HCO Total\nPoints \n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n240.0 7.800E-22 0.2700 0.7300 0.8000\n250.0 2.570E-21 0.3200 0.4800 0.8000\n260.0 6.050E-21 0.3100 0.4900 0.8000\n269.0 9.910E-21 0.4000 0.4100 0.8100\n279.0 2.451E-20 0.5600 0.3200 0.8800\n280.0 2.338E-20 0.5800 0.3000 0.8800\n281.0 1.562E-20 0.6000 0.2700 0.8700\n282.0 9.730E-21 0.6200 0.2700 0.8900\n283.0 7.220E-21 0.6400 0.2500 0.8900\n284.0 4.265E-20 0.6500 0.2600 0.9100\n285.0 4.050E-20 0.6700 0.3100 0.9800\n286.0 2.095E-20 0.6800 0.3200 1.0000\n287.0 1.153E-20 0.7000 0.3000 1.0000\n288.0 3.169E-20 0.7100 0.2900 1.0000\n289.0 3.225E-20 0.7100 0.2900 1.0000\n290.0 1.173E-20 0.7200 0.2800 1.0000\n291.0 1.836E-20 0.7300 0.2700 1.0000\n292.0 7.970E-21 0.7300 0.2700 1.0000\n293.0 3.128E-20 0.7400 0.2600 1.0000\n294.0 7.154E-20 0.7000 0.3000 1.0000\n295.0 4.054E-20 0.7900 0.2100 1.0000\n296.0 2.474E-20 0.7600 0.2400 1.0000\n297.0 1.367E-20 0.7400 0.2800 1.0000\n298.0 4.217E-20 0.6700 0.3300 1.0000\n299.0 3.175E-20 0.6500 0.3500 1.0000\n300.0 9.640E-21 0.7000 0.3000 1.0000\n301.0 1.625E-20 0.7000 0.3000 1.0000\n302.0 8.540E-21 0.7300 0.2700 1.0000\n303.0 3.021E-20 0.7140 0.2860 1.0000\n304.0 7.219E-20 0.7500 0.2500 1.0000\n305.0 4.752E-20 0.7100 0.2900 1.0000\n306.0 4.292E-20 0.6420 0.3580 1.0000\n307.0 1.781E-20 0.6800 0.3200 1.0000\n308.0 1.385E-20 0.7000 0.3000 1.0000\n309.0 3.252E-20 0.7100 0.2900 1.0000\n310.0 1.737E-20 0.7000 0.3000 1.0000\n311.0 4.620E-21 0.6800 0.3200 1.0000\n312.0 1.188E-20 0.6690 0.3310 1.0000\n313.0 9.060E-21 0.7300 0.2700 1.0000\n314.0 5.637E-20 0.6810 0.3190 1.0000\n315.0 5.565E-20 0.7800 0.2200 1.0000\n316.0 2.561E-20 0.7500 0.2500 1.0000\n317.0 5.777E-20 0.6530 0.3470 1.0000\n318.0 3.151E-20 0.6600 0.3400 1.0000\n319.0 9.780E-21 0.5790 0.4310 1.0000\n320.0 1.194E-20 0.6000 0.4000 1.0000\n321.0 1.598E-20 0.6500 0.3500 1.0000\n322.0 7.220E-21 0.5800 0.4200 1.0000\n323.0 3.280E-21 0.4750 0.5250 1.0000\n324.0 8.580E-21 0.4900 0.5100 1.0000\n325.0 1.578E-20 0.4600 0.5400 1.0000\n326.0 6.876E-20 0.5060 0.4940 1.0000\n327.0 4.370E-20 0.5000 0.5000 1.0000\n328.0 1.220E-20 0.4000 0.6000 1.0000\n329.0 3.120E-20 0.3290 0.6710 1.0000\n330.0 3.865E-20 0.3800 0.6200 1.0000\n331.0 1.412E-20 0.4600 0.4300 0.8900\n332.0 3.470E-21 0.3700 0.4500 0.8200\n333.0 2.140E-21 0.2400 0.4800 0.7200\n334.0 1.590E-21 0.1120 0.5100 0.6220\n335.0 9.700E-22 0.0700 0.5600 0.6300\n336.0 1.260E-21 0.0550 0.6200 0.6750\n337.0 3.830E-21 0.0350 0.6100 0.6450\n338.0 1.919E-20 0.0100 0.5800 0.5900\n339.0 5.381E-20 0.0110 0.5800 0.5910\n340.0 3.151E-20 0.0100 0.6400 0.6500\n341.0 9.780E-21 0.0080 0.6100 0.6180\n342.0 5.090E-21 0.0080 0.5800 0.5880\n343.0 1.922E-20 0.0080 0.5500 0.5580\n344.0 1.268E-20 0.0070 0.5100 0.5170\n345.0 4.370E-21 0.0070 0.5000 0.5070\n346.0 1.190E-21 0.0070 0.4700 0.4770\n347.0 4.400E-22 0.0070 0.4400 0.4470\n348.0 7.500E-22 0.0070 0.4200 0.4270\n349.0 3.800E-22 0.0060 0.3800 0.3860\n350.0 3.600E-22 0.0060 0.3600 0.3660\n351.0 8.900E-22 0.0050 0.3300 0.3350\n352.0 7.300E-21 0.0050 0.3000 0.3050\n353.0 2.275E-20 0.0050 0.2800 0.2850\n354.0 1.645E-20 0.0050 0.2500 0.2550\n355.0 6.960E-21 0.0050 0.1200 0.1250\n356.0 1.480E-21 0.0000 0.1000 0.1000\n357.0 3.500E-22 0.0000 0.0700 0.0700\n358.0 1.900E-22 0.0000 0.0400 0.0400\n359.0 1.100E-22 0.0000 0.0100 0.0100\n360.0 9.000E-23 0.0000 0.0000 0.0000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/HCHO_R_SAPRC99", "content": "HCHO_R\n! HCHO + HV = HCO + H\n! SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\n! Created from PhotDat.xls on 29-Jan-2000 10:07\nPoints (the mechanism was evaluated assuming this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n240.0 6.400E-22 0.270\n241.0 5.600E-22 0.272\n242.0 1.050E-21 0.274\n243.0 1.150E-21 0.276\n244.0 8.200E-22 0.278\n245.0 1.030E-21 0.280\n246.0 9.800E-22 0.282\n247.0 1.350E-21 0.284\n248.0 1.910E-21 0.286\n249.0 2.820E-21 0.288\n250.0 2.050E-21 0.290\n251.0 1.700E-21 0.291\n252.0 2.880E-21 0.292\n253.0 2.550E-21 0.293\n254.0 2.550E-21 0.294\n255.0 3.600E-21 0.295\n256.0 5.090E-21 0.296\n257.0 3.390E-21 0.297\n258.0 2.260E-21 0.298\n259.0 5.040E-21 0.299\n260.0 5.050E-21 0.300\n261.0 5.490E-21 0.308\n262.0 5.200E-21 0.316\n263.0 9.330E-21 0.324\n264.0 8.230E-21 0.332\n265.0 4.300E-21 0.340\n266.0 4.950E-21 0.348\n267.0 1.240E-20 0.356\n268.0 1.110E-20 0.364\n269.0 8.780E-21 0.372\n270.0 9.360E-21 0.380\n271.0 1.790E-20 0.399\n272.0 1.230E-20 0.418\n273.0 6.450E-21 0.437\n274.0 6.560E-21 0.456\n275.0 2.230E-20 0.475\n276.0 2.420E-20 0.494\n277.0 1.400E-20 0.513\n278.0 1.050E-20 0.532\n279.0 2.550E-20 0.551\n280.0 2.080E-20 0.570\n281.0 1.480E-20 0.586\n282.0 8.810E-21 0.602\n283.0 1.070E-20 0.618\n284.0 4.490E-20 0.634\n285.0 3.590E-20 0.650\n286.0 1.960E-20 0.666\n287.0 1.300E-20 0.682\n288.0 3.360E-20 0.698\n289.0 2.840E-20 0.714\n290.0 1.300E-20 0.730\n291.0 1.750E-20 0.735\n292.0 8.320E-21 0.740\n293.0 3.730E-20 0.745\n294.0 6.540E-20 0.750\n295.0 3.950E-20 0.755\n296.0 2.330E-20 0.760\n297.0 1.510E-20 0.765\n298.0 4.040E-20 0.770\n299.0 2.870E-20 0.775\n300.0 8.710E-21 0.780\n301.0 1.720E-20 0.780\n302.0 1.060E-20 0.780\n303.0 3.200E-20 0.780\n304.0 6.900E-20 0.780\n305.0 4.910E-20 0.780\n306.0 4.630E-20 0.780\n307.0 2.100E-20 0.780\n308.0 1.490E-20 0.780\n309.0 3.410E-20 0.780\n310.0 1.950E-20 0.780\n311.0 5.210E-21 0.764\n312.0 1.120E-20 0.748\n313.0 1.120E-20 0.732\n314.0 4.750E-20 0.716\n315.0 5.250E-20 0.700\n316.0 2.900E-20 0.684\n317.0 5.370E-20 0.668\n318.0 2.980E-20 0.652\n319.0 9.180E-21 0.636\n320.0 1.260E-20 0.620\n321.0 1.530E-20 0.585\n322.0 6.690E-21 0.550\n323.0 3.450E-21 0.515\n324.0 8.160E-21 0.480\n325.0 1.850E-20 0.445\n326.0 5.950E-20 0.410\n327.0 3.490E-20 0.375\n328.0 1.090E-20 0.340\n329.0 3.350E-20 0.305\n330.0 3.320E-20 0.270\n331.0 1.070E-20 0.243\n332.0 2.890E-21 0.216\n333.0 2.150E-21 0.189\n334.0 1.710E-21 0.162\n335.0 1.430E-21 0.135\n336.0 1.940E-21 0.108\n337.0 4.170E-21 0.081\n338.0 2.360E-20 0.054\n339.0 4.710E-20 0.027\n340.0 2.480E-20 0.000\n341.0 7.590E-21 0.000\n342.0 6.810E-21 0.000\n343.0 1.950E-20 0.000\n344.0 1.140E-20 0.000\n345.0 3.230E-21 0.000\n346.0 1.130E-21 0.000\n347.0 6.600E-22 0.000\n348.0 1.220E-21 0.000\n349.0 3.200E-22 0.000\n350.0 3.800E-22 0.000\n351.0 1.040E-21 0.000\n352.0 7.130E-21 0.000\n353.0 2.210E-20 0.000\n354.0 1.540E-20 0.000\n355.0 6.760E-21 0.000\n356.0 1.350E-21 0.000\n357.0 3.600E-22 0.000\n358.0 5.700E-23 0.000\n359.0 5.800E-22 0.000\n360.0 8.200E-22 0.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/HCHOmol_CBIV88", "content": "HCHOmol_CBIV88\n! Formaldehyde Photolysis to molecular hydrogen (HCHOmol)\n! HCHO + hv -> H2 + CO \n! Taken from Gery et al. (1988); Absorption CS from Bass (1980); QY from\n! Calvert (1980) fit to his data and Moortgat and coworkers (1978, 1979).\n! format: wl, abs_cs, qy\nCentered\n! With FAC, units are (cm^2/molecule)\nFAC=1.0E-20\n 280 2.34 0.440\n 281 1.65 0.420\n 282 0.76 0.400\n 283 0.46 0.380\n 284 3.93 0.370\n 285 3.46 0.350\n 286 2.32 0.330\n 287 0.95 0.320\n 288 2.32 0.300\n 289 2.50 0.290\n 290 1.43 0.280\n 291 1.32 0.270\n 292 0.66 0.250\n 293 5.22 0.240\n 294 4.30 0.240\n 295 3.21 0.230\n 296 1.59 0.220\n 297 1.96 0.210\n 298 3.66 0.210\n 299 1.55 0.210\n 300 0.72 0.200\n 301 1.51 0.200\n 302 0.74 0.200\n 303 4.35 0.200\n 304 4.79 0.200\n 305 4.94 0.210\n 306 3.02 0.210\n 307 1.16 0.210\n 308 2.18 0.220\n 309 2.25 0.230\n 310 1.03 0.240\n 311 0.81 0.250\n 312 1.49 0.260\n 313 1.55 0.270\n 314 3.99 0.280\n 315 2.88 0.300\n 316 2.79 0.310\n 317 3.59 0.330\n 318 1.65 0.350\n 319 0.73 0.370\n 320 1.71 0.390\n 321 1.32 0.410\n 322 0.43 0.430\n 323 0.60 0.460\n 324 0.75 0.490\n 325 2.19 0.510\n 326 3.44 0.540\n 327 1.75 0.550\n 328 1.01 0.570\n 329 3.03 0.580\n 330 1.96 0.590\n 331 0.79 0.600\n 332 0.32 0.610\n 333 0.15 0.620\n 334 0.17 0.620\n 335 0.02 0.620\n 336 0.17 0.620\n 337 0.32 0.620\n 338 1.93 0.610\n 339 2.15 0.610\n 340 1.07 0.600\n 341 0.31 0.590\n 342 0.94 0.570\n 343 1.37 0.560\n 344 0.57 0.540\n 345 0.12 0.520\n 346 0.04 0.500\n 347 0.04 0.470\n 348 0.07 0.450\n 349 0.03 0.420\n 350 0.03 0.390\n 351 0.09 0.360\n 352 0.90 0.330\n 353 1.17 0.300\n 354 0.72 0.260\n 355 0.26 0.230\n 356 0.05 0.200\n 357 0.03 0.160\n 358 0.04 0.130\n 359 0.03 0.100\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/HCHOmol_NASA94", "content": "HCHOmol_NASA94\n! Formaldehyde Photolysis to molecular hydrogen (HCHOmol)\n! HCHO + hv -> H2 + CO \n! Taken from the original RADM data, with NASA (1994) updates\n! format: wl, abs_cs, qy\nCentered\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n 245.400 0.000E+00 0.000E+00\n 248.500 0.000E+00 7.697E-03\n 251.600 3.910E-22 4.797E-01\n 254.800 1.183E-21 4.889E-01\n 258.100 2.807E-21 4.943E-01\n 261.400 5.063E-21 4.980E-01\n 264.900 5.548E-21 4.945E-01\n 268.500 9.348E-21 4.845E-01\n 272.100 1.160E-20 4.566E-01\n 275.900 1.602E-20 3.861E-01\n 279.700 1.584E-20 3.418E-01\n 283.700 2.267E-20 3.251E-01\n 287.800 2.126E-20 3.061E-01\n 292.000 2.264E-20 2.871E-01\n 296.300 2.988E-20 2.698E-01\n 300.500 8.500E-21 2.546E-01\n 303.000 4.330E-20 2.470E-01\n 304.000 4.330E-20 2.470E-01\n 305.000 3.790E-20 2.470E-01\n 306.000 3.250E-20 2.470E-01\n 307.000 3.250E-20 2.470E-01\n 308.000 2.220E-20 2.520E-01\n 309.000 2.220E-20 2.520E-01\n 310.000 1.575E-20 2.565E-01\n 311.000 9.310E-21 2.610E-01\n 312.000 9.310E-21 2.610E-01\n 313.000 3.400E-20 2.760E-01\n 314.000 3.400E-20 2.760E-01\n 316.000 3.808E-20 3.093E-01\n 320.000 1.415E-20 3.955E-01\n 325.000 2.456E-20 5.150E-01\n 330.000 1.785E-20 6.655E-01\n 335.000 1.270E-21 7.335E-01\n 340.000 2.148E-20 6.345E-01\n 345.000 6.655E-21 5.020E-01\n 350.000 1.375E-21 3.710E-01\n 355.000 8.375E-21 2.310E-01\n 360.000 0.000E+00 1.036E-01\n 365.000 0.000E+00 5.906E-03\n 370.000 0.000E+00 0.000E+00\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/HCHOmol_RADM88", "content": "HCHOmol_RADM88\n! Formaldehyde Photolysis to molecular hydrogen (HCHOmol)\n! HCHO + hv -> H2 + CO \n! Abs CS: Avg of Moortgat et al. [1980,1983] and Bass et al. [1980]\n! QY from Moortgat et al. [1983]; Horowitz and Calvert [1978]\n! format: wl, abs_cs, qy\nBeginning\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n 246.914 0.000E+00 7.697E-03\n 250.000 3.910E-22 4.797E-01\n 253.165 1.183E-21 4.889E-01\n 256.410 2.807E-21 4.943E-01\n 259.740 5.063E-21 4.980E-01\n 263.158 5.548E-21 4.945E-01\n 266.667 9.348E-21 4.845E-01\n 270.270 1.160E-20 4.566E-01\n 273.973 1.602E-20 3.861E-01\n 277.778 1.584E-20 3.418E-01\n 281.690 2.267E-20 3.251E-01\n 285.714 2.126E-20 3.061E-01\n 289.855 2.264E-20 2.871E-01\n 294.118 2.988E-20 2.698E-01\n 298.500 1.523E-20 2.546E-01\n 302.500 2.281E-20 2.490E-01\n 303.500 6.326E-20 2.470E-01\n 304.500 4.668E-20 2.456E-01\n 305.500 4.497E-20 2.480E-01\n 306.500 2.035E-20 2.510E-01\n 307.500 1.412E-20 2.540E-01\n 308.500 2.959E-20 2.570E-01\n 309.500 1.745E-20 2.602E-01\n 310.500 7.280E-21 2.645E-01\n 311.500 1.340E-20 2.690E-01\n 312.500 1.247E-20 2.735E-01\n 313.500 3.917E-20 2.789E-01\n 314.500 3.947E-20 3.103E-01\n 317.500 1.526E-20 3.941E-01\n 322.500 2.110E-20 5.081E-01\n 327.500 1.923E-20 6.761E-01\n 332.500 2.134E-21 7.593E-01\n 337.500 1.632E-20 6.361E-01\n 342.500 6.668E-21 5.015E-01\n 347.500 1.519E-21 3.734E-01\n 352.500 7.166E-21 2.290E-01\n 357.500 9.075E-23 1.036E-01\n 362.500 0.000E+00 5.906E-03\n 367.500 0.000E+00 0.000E+00\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/HCHOrad_CBIV88", "content": "HCHOrad_CBIV88\n! Formaldehyde Photolysis to radical (HCHOrad)\n! HCHO + hv -> H + HCO \n! Taken from Gery et al. (1988); Absorption CS from Bass (1980); QY from \n! Calvert (1980) fit to his data and Moortgat and coworkers (1978, 1979).\n! format: wl, abs_cs, qy\nCentered\n! With FAC, units are (cm^2/molecule)\nFAC=1.0E-20\n 280 2.34 0.560\n 281 1.65 0.580\n 282 0.76 0.600\n 283 0.46 0.620\n 284 3.93 0.630\n 285 3.46 0.650\n 286 2.32 0.670\n 287 0.95 0.680\n 288 2.32 0.700\n 289 2.50 0.710\n 290 1.43 0.720\n 291 1.32 0.730\n 292 0.66 0.750\n 293 5.22 0.760\n 294 4.30 0.760\n 295 3.21 0.770\n 296 1.59 0.780\n 297 1.96 0.790 \n 298 3.66 0.790\n 299 1.55 0.790\n 300 0.72 0.800\n 301 1.51 0.800\n 302 0.74 0.800\n 303 4.35 0.800\n 304 4.79 0.800\n 305 4.94 0.790\n 306 3.02 0.790\n 307 1.16 0.790\n 308 2.18 0.780\n 309 2.25 0.770\n 310 1.03 0.760\n 311 0.81 0.750\n 312 1.49 0.740\n 313 1.55 0.730\n 314 3.99 0.720\n 315 2.88 0.700\n 316 2.79 0.690\n 317 3.59 0.670\n 318 1.65 0.650\n 319 0.73 0.630\n 320 1.71 0.610\n 321 1.32 0.590\n 322 0.43 0.570\n 323 0.60 0.540\n 324 0.75 0.510\n 325 2.19 0.490\n 326 3.44 0.460\n 327 1.75 0.430\n 328 1.01 0.390\n 329 3.03 0.360\n 330 1.96 0.330\n 331 0.79 0.290\n 332 0.32 0.250\n 333 0.15 0.210\n 334 0.17 0.170\n 335 0.02 0.130\n 336 0.17 0.083\n 337 0.32 0.038\n 338 1.93 0.000\n 339 2.15 0.000\n 340 1.07 0.000\n\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/HCHOrad_NASA94", "content": "HCHOrad_NASA94\n! Formaldehyde Photolysis to radical (HCHOrad)\n! HCHO + hv -> H + HCO \n! Taken from the original RADM data, with NASA (1994) updates\n! format: wl, abs_cs, qy\nCentered\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n 245.400 0.000E+00 0.000E+00\n 248.500 0.000E+00 5.671E-03\n 251.600 3.910E-22 3.405E-01\n 254.800 1.183E-21 3.228E-01\n 258.100 2.807E-21 3.169E-01\n 261.400 5.063E-21 3.194E-01\n 264.900 5.548E-21 3.325E-01\n 268.500 9.348E-21 3.647E-01\n 272.100 1.160E-20 4.055E-01\n 275.900 1.602E-20 4.556E-01\n 279.700 1.584E-20 5.223E-01\n 283.700 2.267E-20 6.061E-01\n 287.800 2.126E-20 6.805E-01\n 292.000 2.264E-20 7.243E-01\n 296.300 2.988E-20 7.423E-01\n 300.500 8.500E-21 7.502E-01\n 303.000 4.330E-20 7.530E-01\n 304.000 4.330E-20 7.530E-01\n 305.000 3.790E-20 7.530E-01\n 306.000 3.250E-20 7.530E-01\n 307.000 3.250E-20 7.530E-01\n 308.000 2.220E-20 7.480E-01\n 309.000 2.220E-20 7.480E-01\n 310.000 1.575E-20 7.435E-01\n 311.000 9.310E-21 7.390E-01\n 312.000 9.310E-21 7.390E-01\n 313.000 3.400E-20 7.240E-01\n 314.000 3.400E-20 7.240E-01\n 316.000 3.808E-20 6.907E-01\n 320.000 1.415E-20 5.910E-01\n 325.000 2.456E-20 4.560E-01\n 330.000 1.785E-20 3.010E-01\n 335.000 1.270E-21 1.305E-01\n 340.000 2.148E-20 1.800E-02\n 345.000 6.655E-21 5.000E-04\n 350.000 1.375E-21 0.000E+00\n 355.000 8.375E-21 0.000E+00\n 360.000 0.000E+00 0.000E+00\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/HCHOrad_RADM88", "content": "HCHOrad_RADM88\n! Formaldehyde Photolysis to radical (HCHOrad)\n! HCHO + hv -> H + HCO \n! Abs CS: Avg of Moortgat et al. [1980,1983] and Bass et al. [1980]\n! QY from Moortgat et al. [1983]; Horowitz and Calvert [1978]\n! format: wl, abs_cs, qy\nBeginning\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n 246.914 0.000E+00 5.671E-03\n 250.000 3.910E-22 3.405E-01\n 253.165 1.183E-21 3.228E-01\n 256.410 2.807E-21 3.169E-01\n 259.740 5.063E-21 3.194E-01\n 263.158 5.548E-21 3.325E-01\n 266.667 9.348E-21 3.647E-01\n 270.270 1.160E-20 4.055E-01\n 273.973 1.602E-20 4.556E-01\n 277.778 1.584E-20 5.223E-01\n 281.690 2.267E-20 6.061E-01\n 285.714 2.126E-20 6.805E-01\n 289.855 2.264E-20 7.243E-01\n 294.118 2.988E-20 7.423E-01\n 298.500 1.523E-20 7.502E-01\n 302.500 2.281E-20 7.530E-01\n 303.500 6.326E-20 7.540E-01\n 304.500 4.668E-20 7.548E-01\n 305.500 4.497E-20 7.540E-01\n 306.500 2.035E-20 7.530E-01\n 307.500 1.412E-20 7.520E-01\n 308.500 2.959E-20 7.510E-01\n 309.500 1.745E-20 7.495E-01\n 310.500 7.280E-21 7.450E-01\n 311.500 1.340E-20 7.396E-01\n 312.500 1.247E-20 7.317E-01\n 313.500 3.917E-20 7.233E-01\n 314.500 3.947E-20 6.903E-01\n 317.500 1.526E-20 5.931E-01\n 322.500 2.110E-20 4.581E-01\n 327.500 1.923E-20 3.050E-01\n 332.500 2.134E-21 1.223E-01\n 337.500 1.632E-20 3.429E-03\n 342.500 6.668E-21 0.000E+00\n 347.500 1.519E-21 0.000E+00\n 352.500 7.166E-21 0.000E+00\n 357.500 9.075E-23 0.000E+00\n 362.500 0.000E+00 0.000E+00\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/HKET_RACM2", "content": "HKET_RACM2\n! HKET + HV = HO2 + ACO3 + HCHO \n! Absorption x-section from \n! Quantum yield from \n! Supplied by Dr. Wendy Goliff, reformatted by Dr. Golam Sarwar to make it compatible with CMAQ\nPoints \n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n186.1 0.000E+00 0.000\n187.8 0.000E+00 0.000\n189.6 0.000E+00 0.000\n191.4 0.000E+00 0.000\n193.3 0.000E+00 0.000\n195.2 0.000E+00 0.000\n197.1 0.000E+00 0.000\n199.0 0.000E+00 0.000\n201.0 0.000E+00 0.000\n203.1 0.000E+00 0.000\n205.2 0.000E+00 0.000\n207.3 0.000E+00 0.000\n209.4 0.000E+00 0.000\n211.7 0.000E+00 0.000\n213.9 0.000E+00 0.000\n216.2 0.000E+00 0.000\n218.6 0.000E+00 0.000\n221.0 0.000E+00 0.000\n223.5 0.000E+00 0.000\n226.0 0.000E+00 0.000\n228.6 0.000E+00 0.000\n231.3 0.000E+00 0.000\n234.0 0.000E+00 0.000\n236.7 0.229E-19 0.000\n239.6 0.278E-19 0.000\n242.5 0.334E-19 0.650\n245.4 0.374E-19 0.650\n248.5 0.456E-19 0.650\n251.6 0.518E-19 0.650\n254.8 0.572E-19 0.650\n258.2 0.619E-19 0.650\n261.5 0.661E-19 0.650\n265.0 0.674E-19 0.650\n268.5 0.667E-19 0.650\n272.2 0.642E-19 0.650\n275.9 0.590E-19 0.650\n279.8 0.512E-19 0.650\n283.7 0.427E-19 0.650\n287.8 0.334E-19 0.650\n292.0 0.245E-19 0.650\n296.3 0.169E-19 0.650\n300.5 0.961E-20 0.650\n303.0 0.743E-20 0.650\n304.0 0.652E-20 0.650\n305.0 0.569E-20 0.650\n306.0 0.493E-20 0.650\n307.0 0.431E-20 0.650\n308.0 0.379E-20 0.650\n309.0 0.331E-20 0.650\n310.0 0.287E-20 0.650\n311.0 0.249E-20 0.650\n312.0 0.219E-20 0.650\n313.0 0.192E-20 0.650\n314.0 0.177E-20 0.650\n316.0 0.142E-20 0.650\n320.0 0.954E-21 0.650\n325.0 0.629E-21 0.650\n330.0 0.463E-21 0.650\n335.0 0.345E-21 0.650\n340.0 0.000E+00 0.650\n345.0 0.000E+00 0.650\n350.0 0.000E+00 0.650\n355.0 0.000E+00 0.650\n360.0 0.000E+00 0.650\n365.0 0.000E+00 0.650\n370.0 0.000E+00 0.650\n375.0 0.000E+00 0.650\n380.0 0.000E+00 0.650\n385.0 0.000E+00 0.650\n390.0 0.000E+00 0.650\n395.0 0.000E+00 0.650\n400.0 0.000E+00 0.650\n405.0 0.000E+00 0.650\n410.0 0.000E+00 0.650\n415.0 0.000E+00 0.650\n420.0 0.000E+00 0.650\n425.0 0.000E+00 0.000\n430.0 0.000E+00 0.000\n435.0 0.000E+00 0.000\n440.0 0.000E+00 0.000\n445.0 0.000E+00 0.000\n450.0 0.000E+00 0.000\n455.0 0.000E+00 0.000\n460.0 0.000E+00 0.000\n465.0 0.000E+00 0.000\n470.0 0.000E+00 0.000\n475.0 0.000E+00 0.000\n480.0 0.000E+00 0.000\n485.0 0.000E+00 0.000\n490.0 0.000E+00 0.000\n495.0 0.000E+00 0.000\n500.0 0.000E+00 0.000\n505.0 0.000E+00 0.000\n510.0 0.000E+00 0.000\n515.0 0.000E+00 0.000\n520.0 0.000E+00 0.000\n525.0 0.000E+00 0.000\n530.0 0.000E+00 0.000\n535.0 0.000E+00 0.000\n540.0 0.000E+00 0.000\n545.0 0.000E+00 0.000\n550.0 0.000E+00 0.000\n555.0 0.000E+00 0.000\n560.0 0.000E+00 0.000\n565.0 0.000E+00 0.000\n570.0 0.000E+00 0.000\n575.0 0.000E+00 0.000\n580.0 0.000E+00 0.000\n585.0 0.000E+00 0.000\n590.0 0.000E+00 0.000\n595.0 0.000E+00 0.000\n600.0 0.000E+00 0.000\n605.0 0.000E+00 0.000\n610.0 0.000E+00 0.000\n615.0 0.000E+00 0.000\n620.0 0.000E+00 0.000\n625.0 0.000E+00 0.000\n630.0 0.000E+00 0.000\n635.0 0.000E+00 0.000\n640.0 0.000E+00 0.000\n644.8 0.000E+00 0.000\n651.0 0.000E+00 0.000\n660.0 0.000E+00 0.000\n670.0 0.000E+00 0.000\n680.0 0.000E+00 0.000\n690.0 0.000E+00 0.000\n700.0 0.000E+00 0.000\n710.0 0.000E+00 0.000\n720.0 0.000E+00 0.000\n730.0 0.000E+00 0.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/HNO3", "content": "HNO3 \n! HNO3 + HV = products \n! IUPAC (1997) Recommendation \nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n190.0 1.360E-17 1.0000\n195.0 1.020E-17 1.0000\n200.0 5.880E-18 1.0000\n205.0 2.800E-18 1.0000\n210.0 1.040E-18 1.0000\n215.0 3.650E-19 1.0000\n220.0 1.490E-19 1.0000\n225.0 8.810E-20 1.0000\n230.0 5.750E-20 1.0000\n235.0 3.750E-20 1.0000\n240.0 2.580E-20 1.0000\n245.0 2.110E-20 1.0000\n250.0 1.970E-20 1.0000\n255.0 1.950E-20 1.0000\n260.0 1.910E-20 1.0000\n265.0 1.800E-20 1.0000\n270.0 1.620E-20 1.0000\n275.0 1.380E-20 1.0000\n280.0 1.120E-20 1.0000\n285.0 8.580E-21 1.0000\n290.0 6.150E-21 1.0000\n295.0 4.120E-21 1.0000\n300.0 2.630E-21 1.0000\n305.0 1.500E-21 1.0000\n310.0 8.100E-22 1.0000\n315.0 4.100E-22 1.0000\n320.0 2.000E-22 1.0000\n325.0 9.500E-23 1.0000\n330.0 4.300E-23 1.0000\n335.0 2.200E-23 1.0000\n340.0 1.000E-23 1.0000\n345.0 6.000E-24 1.0000\n350.0 4.000E-24 1.0000\n355.0 0.000E+00 1.0000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/HNO3_IUPAC04", "content": "HNO3_IUPAC04\n!HONO2 + HV = OH + NO2\n! From IUPAC Subcommittee on Gas Kinetic Data Evaluation\n! Data Sheet PNOx2_HONO2, updated 16th July 2001\n! Website: http://www.iupac-kinetic.ch.cam.ac.uk/\nPoints (These are point values)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n190.0 1.360E-17 1.000\n195.0 1.020E-17 1.000\n200.0 5.880E-18 1.000\n205.0 2.800E-18 1.000\n210.0 1.040E-18 1.000\n215.0 3.650E-19 1.000\n220.0 1.490E-19 1.000\n225.0 8.810E-20 1.000\n230.0 5.750E-20 1.000\n235.0 3.750E-20 1.000\n240.0 2.580E-20 1.000\n245.0 2.110E-20 1.000\n250.0 1.970E-20 1.000\n255.0 1.950E-20 1.000\n260.0 1.910E-20 1.000\n265.0 1.800E-20 1.000\n270.0 1.620E-20 1.000\n275.0 1.380E-20 1.000\n280.0 1.120E-20 1.0\n285.0 8.580E-21 1.0\n290.0 6.150E-21 1.0\n295.0 4.120E-21 1.0\n300.0 2.630E-21 1.0\n305.0 1.500E-21 1.0\n310.0 8.100E-22 1.0\n315.0 4.100E-22 1.0\n320.0 2.000E-22 1.0\n325.0 9.500E-23 1.0\n330.0 4.300E-23 1.0\n335.0 2.200E-23 1.0\n340.0 1.000E-23 1.0\n345.0 6.000E-24 1.0\n350.0 4.000E-24 1.0\n355.0 0.0 1.0\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/HNO3_IUPAC10", "content": "HNO3_IUPAC10\n! j(HNO3) IUPAC(2010) \n! HNO3 = OH + NO2 \n! From IUPAC Subcommittee on Gas Kinetic Data Evaluation \n! Data Sheet PNOx2, updated 16th Jul, 2001 \n!These are point values \nBegining (the mechanism evaluated with this format)\n!WL(nm) XSEC(cm2) QY\nFAC=1.0\n190.0 1.360E-17 1.000\n195.0 1.020E-17 1.000\n200.0 5.880E-18 1.000\n205.0 2.800E-18 1.000\n210.0 1.040E-18 1.000\n215.0 3.650E-19 1.000\n220.0 1.490E-19 1.000\n225.0 8.810E-20 1.000\n230.0 5.750E-20 1.000\n235.0 3.750E-20 1.000\n240.0 2.580E-20 1.000\n245.0 2.110E-20 1.000\n250.0 1.970E-20 1.000\n255.0 1.950E-20 1.000\n260.0 1.910E-20 1.000\n265.0 1.800E-20 1.000\n270.0 1.620E-20 1.000\n275.0 1.380E-20 1.000\n280.0 1.120E-20 1.000\n285.0 8.580E-21 1.000\n290.0 6.150E-21 1.000\n295.0 4.120E-21 1.000\n300.0 2.630E-21 1.000\n305.0 1.500E-21 1.000\n310.0 8.100E-22 1.000\n315.0 4.100E-22 1.000\n320.0 2.000E-22 1.000\n325.0 9.500E-23 1.000\n330.0 4.300E-23 1.000\n335.0 2.200E-23 1.000\n340.0 1.000E-23 1.000\n345.0 6.000E-24 1.000\n350.0 4.000E-24 1.000\n351.0 0.000E+00 1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/HNO3_NASA94", "content": "HNO3_NASA94\n! Nitric Acid Photolysis (HNO3)\n! HNO3 + hv -> OH + NO2 \n! Taken from the original RADM data, with NASA (1994) updates\n! format: wl, abs_cs, qy\nCentered\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n 187.800 0.000E+00 1.000E+00\n 189.600 1.117E-17 1.000E+00\n 191.400 1.264E-17 1.000E+00\n 193.200 1.143E-17 1.000E+00\n 195.100 1.007E-17 1.000E+00\n 197.000 8.507E-18 1.000E+00\n 199.000 6.781E-18 1.000E+00\n 201.000 5.168E-18 1.000E+00\n 203.100 3.846E-18 1.000E+00\n 205.100 2.733E-18 1.000E+00\n 207.300 1.844E-18 1.000E+00\n 209.400 1.198E-18 1.000E+00\n 211.600 7.522E-19 1.000E+00\n 213.900 4.597E-19 1.000E+00\n 216.200 2.766E-19 1.000E+00\n 218.600 1.833E-19 1.000E+00\n 221.000 1.335E-19 1.000E+00\n 223.500 1.029E-19 1.000E+00\n 226.000 8.067E-20 1.000E+00\n 228.600 6.457E-20 1.000E+00\n 231.200 5.237E-20 1.000E+00\n 233.900 4.174E-20 1.000E+00\n 236.700 3.192E-20 1.000E+00\n 239.500 2.690E-20 1.000E+00\n 242.400 2.288E-20 1.000E+00\n 245.400 2.096E-20 1.000E+00\n 248.500 1.992E-20 1.000E+00\n 251.600 1.963E-20 1.000E+00\n 254.800 1.950E-20 1.000E+00\n 258.100 1.929E-20 1.000E+00\n 261.400 1.883E-20 1.000E+00\n 264.900 1.801E-20 1.000E+00\n 268.500 1.678E-20 1.000E+00\n 272.100 1.524E-20 1.000E+00\n 275.900 1.339E-20 1.000E+00\n 279.700 1.135E-20 1.000E+00\n 283.700 9.238E-21 1.000E+00\n 287.800 7.200E-21 1.000E+00\n 292.000 5.336E-21 1.000E+00\n 296.300 3.732E-21 1.000E+00\n 300.500 2.490E-21 1.000E+00\n 303.000 1.875E-21 1.000E+00\n 304.000 1.670E-21 1.000E+00\n 305.000 1.500E-21 1.000E+00\n 306.000 1.330E-21 1.000E+00\n 307.000 1.190E-21 1.000E+00\n 308.000 1.050E-21 1.000E+00\n 309.000 9.320E-22 1.000E+00\n 310.000 8.140E-22 1.000E+00\n 311.000 7.210E-22 1.000E+00\n 312.000 6.280E-22 1.000E+00\n 313.000 5.465E-22 1.000E+00\n 314.000 4.650E-22 1.000E+00\n 316.000 3.640E-22 1.000E+00\n 320.000 2.063E-22 1.000E+00\n 325.000 9.753E-23 1.000E+00\n 330.000 4.520E-23 1.000E+00\n 335.000 2.217E-23 1.000E+00\n 340.000 1.096E-23 1.000E+00\n 345.000 6.040E-24 1.000E+00\n 350.000 2.940E-24 1.000E+00\n 355.000 0.000E+00 1.000E+00\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/HNO3_RACM2", "content": "HNO3_RACM2\n! HNO3 + HV = HO + NO2\n! Absorption x-section from NASA - 2006 \n! Quantum yield assumed to be 1.0\n! Supplied by Dr. Wendy Goliff, reformatted by Dr. Golam Sarwar to make it compatible with CMAQ\nPoints \n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n186.1 0.000E+00 1.000\n187.8 0.000E+00 1.000\n189.6 0.000E+00 1.000\n191.4 0.000E+00 1.000\n193.3 0.114E-16 1.000\n195.2 0.100E-16 1.000\n197.1 0.847E-17 1.000\n199.0 0.679E-17 1.000\n201.0 0.518E-17 1.000\n203.1 0.382E-17 1.000\n205.2 0.270E-17 1.000\n207.3 0.182E-17 1.000\n209.4 0.120E-17 1.000\n211.7 0.730E-18 1.000\n213.9 0.451E-18 1.000\n216.2 0.283E-18 1.000\n218.6 0.185E-18 1.000\n221.0 0.134E-18 1.000\n223.5 0.102E-18 1.000\n226.0 0.802E-19 1.000\n228.6 0.650E-19 1.000\n231.3 0.518E-19 1.000\n234.0 0.414E-19 1.000\n236.7 0.321E-19 1.000\n239.6 0.265E-19 1.000\n242.5 0.230E-19 1.000\n245.4 0.209E-19 1.000\n248.5 0.199E-19 1.000\n251.6 0.196E-19 1.000\n254.8 0.195E-19 1.000\n258.2 0.193E-19 1.000\n261.5 0.188E-19 1.000\n265.0 0.180E-19 1.000\n268.5 0.168E-19 1.000\n272.2 0.152E-19 1.000\n275.9 0.134E-19 1.000\n279.8 0.113E-19 1.000\n283.7 0.924E-20 1.000\n287.8 0.719E-20 1.000\n292.0 0.532E-20 1.000\n296.3 0.371E-20 1.000\n300.5 0.249E-20 1.000\n303.0 0.188E-20 1.000\n304.0 0.167E-20 1.000\n305.0 0.150E-20 1.000\n306.0 0.133E-20 1.000\n307.0 0.119E-20 1.000\n308.0 0.105E-20 1.000\n309.0 0.932E-21 1.000\n310.0 0.814E-21 1.000\n311.0 0.721E-21 1.000\n312.0 0.628E-21 1.000\n313.0 0.548E-21 1.000\n314.0 0.468E-21 1.000\n316.0 0.362E-21 1.000\n320.0 0.197E-21 1.000\n325.0 0.950E-22 1.000\n330.0 0.431E-22 1.000\n335.0 0.220E-22 1.000\n340.0 0.103E-22 1.000\n345.0 0.595E-23 1.000\n350.0 0.420E-23 1.000\n355.0 0.000E+00 1.000\n360.0 0.000E+00 1.000\n365.0 0.000E+00 1.000\n370.0 0.000E+00 1.000\n375.0 0.000E+00 1.000\n380.0 0.000E+00 1.000\n385.0 0.000E+00 1.000\n390.0 0.000E+00 1.000\n395.0 0.000E+00 1.000\n400.0 0.000E+00 1.000\n405.0 0.000E+00 1.000\n410.0 0.000E+00 1.000\n415.0 0.000E+00 1.000\n420.0 0.000E+00 1.000\n425.0 0.000E+00 1.000\n430.0 0.000E+00 1.000\n435.0 0.000E+00 1.000\n440.0 0.000E+00 1.000\n445.0 0.000E+00 1.000\n450.0 0.000E+00 1.000\n455.0 0.000E+00 1.000\n460.0 0.000E+00 1.000\n465.0 0.000E+00 1.000\n470.0 0.000E+00 1.000\n475.0 0.000E+00 1.000\n480.0 0.000E+00 1.000\n485.0 0.000E+00 1.000\n490.0 0.000E+00 1.000\n495.0 0.000E+00 1.000\n500.0 0.000E+00 1.000\n505.0 0.000E+00 1.000\n510.0 0.000E+00 1.000\n515.0 0.000E+00 1.000\n520.0 0.000E+00 1.000\n525.0 0.000E+00 1.000\n530.0 0.000E+00 1.000\n535.0 0.000E+00 1.000\n540.0 0.000E+00 1.000\n545.0 0.000E+00 1.000\n550.0 0.000E+00 1.000\n555.0 0.000E+00 1.000\n560.0 0.000E+00 1.000\n565.0 0.000E+00 1.000\n570.0 0.000E+00 1.000\n575.0 0.000E+00 1.000\n580.0 0.000E+00 1.000\n585.0 0.000E+00 1.000\n590.0 0.000E+00 1.000\n595.0 0.000E+00 1.000\n600.0 0.000E+00 1.000\n605.0 0.000E+00 1.000\n610.0 0.000E+00 1.000\n615.0 0.000E+00 1.000\n620.0 0.000E+00 1.000\n625.0 0.000E+00 1.000\n630.0 0.000E+00 1.000\n635.0 0.000E+00 1.000\n640.0 0.000E+00 1.000\n644.8 0.000E+00 1.000\n651.0 0.000E+00 1.000\n660.0 0.000E+00 1.000\n670.0 0.000E+00 1.000\n680.0 0.000E+00 1.000\n690.0 0.000E+00 1.000\n700.0 0.000E+00 1.000\n710.0 0.000E+00 1.000\n720.0 0.000E+00 1.000\n730.0 0.000E+00 1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/HNO3_RADM88", "content": "HNO3_RADM88\n! Nitric Acid Photolysis (HNO3)\n! HNO3 + hv -> OH + NO2 \n! Abs CS from Molina and Molina [1981]\n! QY assumed to be unity over UV absorption range\n! format: wl, abs_cs, qy\nBeginning\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n 190.476 1.370E-17 1.000E+00\n 192.308 1.220E-17 1.000E+00\n 194.175 1.040E-17 1.000E+00\n 196.078 8.540E-18 1.000E+00\n 198.020 6.660E-18 1.000E+00\n 200.000 5.120E-18 1.000E+00\n 202.020 3.600E-18 1.000E+00\n 204.082 2.480E-18 1.000E+00\n 206.186 1.670E-18 1.000E+00\n 208.333 9.930E-19 1.000E+00\n 210.526 6.640E-19 1.000E+00\n 212.766 3.780E-19 1.000E+00\n 215.054 2.570E-19 1.000E+00\n 217.391 1.650E-19 1.000E+00\n 219.780 1.220E-19 1.000E+00\n 222.222 9.100E-20 1.000E+00\n 224.719 7.260E-20 1.000E+00\n 227.273 5.770E-20 1.000E+00\n 229.885 4.660E-20 1.000E+00\n 232.558 3.680E-20 1.000E+00\n 235.294 3.000E-20 1.000E+00\n 238.095 2.480E-20 1.000E+00\n 240.964 2.200E-20 1.000E+00\n 243.902 2.030E-20 1.000E+00\n 246.914 1.920E-20 1.000E+00\n 250.000 1.900E-20 1.000E+00\n 253.165 1.890E-20 1.000E+00\n 256.410 1.870E-20 1.000E+00\n 259.740 1.770E-20 1.000E+00\n 263.158 1.670E-20 1.000E+00\n 266.667 1.570E-20 1.000E+00\n 270.270 1.400E-20 1.000E+00\n 273.973 1.210E-20 1.000E+00\n 277.778 1.010E-20 1.000E+00\n 281.690 8.130E-21 1.000E+00\n 285.714 6.170E-21 1.000E+00\n 289.855 4.440E-21 1.000E+00\n 294.118 2.950E-21 1.000E+00\n 298.500 2.080E-21 1.000E+00\n 302.500 1.740E-21 1.000E+00\n 303.500 1.550E-21 1.000E+00\n 304.500 1.390E-21 1.000E+00\n 305.500 1.240E-21 1.000E+00\n 306.500 1.090E-21 1.000E+00\n 307.500 9.350E-22 1.000E+00\n 308.500 7.850E-22 1.000E+00\n 309.500 6.710E-22 1.000E+00\n 310.500 5.930E-22 1.000E+00\n 311.500 5.150E-22 1.000E+00\n 312.500 4.370E-22 1.000E+00\n 313.500 3.300E-22 1.000E+00\n 314.500 2.000E-22 1.000E+00\n 317.500 8.500E-23 1.000E+00\n 322.500 3.500E-23 1.000E+00\n 327.500 0.000E+00 1.000E+00\n\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/HNO3_SAPRC99", "content": "HNO3\n! HNO3 + HV = products\n! SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\n! Created from PhotDat.xls on 29-Jan-2000 10:07\nPoints (the mechanism was evaluated assuming this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n190.0 1.360E-17 1.000\n195.0 1.020E-17 1.000\n200.0 5.880E-18 1.000\n205.0 2.800E-18 1.000\n210.0 1.040E-18 1.000\n215.0 3.650E-19 1.000\n220.0 1.490E-19 1.000\n225.0 8.810E-20 1.000\n230.0 5.750E-20 1.000\n235.0 3.750E-20 1.000\n240.0 2.580E-20 1.000\n245.0 2.110E-20 1.000\n250.0 1.970E-20 1.000\n255.0 1.950E-20 1.000\n260.0 1.910E-20 1.000\n265.0 1.800E-20 1.000\n270.0 1.620E-20 1.000\n275.0 1.380E-20 1.000\n280.0 1.120E-20 1.000\n285.0 8.580E-21 1.000\n290.0 6.150E-21 1.000\n295.0 4.120E-21 1.000\n300.0 2.630E-21 1.000\n305.0 1.500E-21 1.000\n310.0 8.100E-22 1.000\n315.0 4.100E-22 1.000\n320.0 2.000E-22 1.000\n325.0 9.500E-23 1.000\n330.0 4.300E-23 1.000\n335.0 2.200E-23 1.000\n340.0 1.000E-23 1.000\n345.0 6.000E-24 1.000\n350.0 4.000E-24 1.000\n355.0 0.000E+00 1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/HNO4-06", "content": "HNO4-06 \n! HO2NO2 + HV = PRODUCTS \n! NASA (2006) \n! \nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n280.0 9.290E-20 1.0000\n282.0 8.110E-20 1.0000\n284.0 6.930E-20 1.0000\n286.0 5.860E-20 1.0000\n288.0 4.910E-20 1.0000\n290.0 3.950E-20 1.0000\n292.0 3.370E-20 1.0000\n294.0 2.780E-20 1.0000\n296.0 2.300E-20 1.0000\n298.0 1.910E-20 1.0000\n300.0 1.520E-20 1.0000\n302.0 1.280E-20 1.0000\n304.0 1.050E-20 1.0000\n306.0 8.530E-21 1.0000\n308.0 7.020E-21 1.0000\n310.0 5.510E-21 1.0000\n312.0 4.650E-21 1.0000\n314.0 3.800E-21 1.0000\n316.0 3.130E-21 1.0000\n318.0 2.650E-21 1.0000\n320.0 2.160E-21 1.0000\n322.0 1.840E-21 1.0000\n324.0 1.520E-21 1.0000\n326.0 1.280E-21 1.0000\n328.0 1.100E-21 1.0000\n330.0 9.260E-22 1.0000\n332.0 7.880E-22 1.0000\n334.0 6.500E-22 1.0000\n336.0 5.400E-22 1.0000\n338.0 4.560E-22 1.0000\n340.0 3.720E-22 1.0000\n342.0 3.200E-22 1.0000\n344.0 2.680E-22 1.0000\n346.0 2.280E-22 1.0000\n348.0 1.980E-22 1.0000\n350.0 1.680E-22 1.0000\n352.0 1.380E-22 1.0000\n360.0 0.000E+00 1.0000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/HNO4_06", "content": "HNO4-06 \n! HO2NO2 + HV = PRODUCTS \n! NASA (2011) \n! \nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n190.0 1.01e-17 1.000\n195.0 8.16e-18 1.000\n200.0 5.63e-18 1.000\n205.0 3.67e-18 1.000\n210.0 2.39e-18 1.000\n215.0 1.61e-18 1.000\n220.0 1.18e-18 1.000\n225.0 9.35e-19 1.000\n230.0 7.92e-19 1.000\n235.0 6.83e-19 1.000\n240.0 5.81e-19 1.000\n245.0 4.90e-19 1.000\n250.0 4.13e-19 1.000\n255.0 3.50e-19 1.000\n260.0 2.85e-19 1.000\n265.0 2.30e-19 1.000\n270.0 1.81e-19 1.000\n275.0 1.34e-19 1.000\n280.0 9.29e-20 1.000\n282.0 8.11e-20 1.000\n284.0 6.93e-20 1.000\n286.0 5.86e-20 1.000\n288.0 4.91e-20 1.000\n290.0 3.95e-20 1.000\n292.0 3.37e-20 1.000\n294.0 2.78e-20 1.000\n296.0 2.30e-20 1.000\n298.0 1.91e-20 1.000\n300.0 1.52e-20 1.000\n302.0 1.28e-20 1.000\n304.0 1.05e-20 1.000\n306.0 8.53e-21 1.000\n308.0 7.02e-21 1.000\n310.0 5.51e-21 1.000\n312.0 4.65e-21 1.000\n314.0 3.80e-21 1.000\n316.0 3.13e-21 1.000\n318.0 2.65e-21 1.000\n320.0 2.16e-21 1.000\n322.0 1.84e-21 1.000\n324.0 1.52e-21 1.000\n326.0 1.28e-21 1.000\n328.0 1.10e-21 1.000\n330.0 9.26e-22 1.000\n332.0 7.88e-22 1.000\n334.0 6.50e-22 1.000\n336.0 5.40e-22 1.000\n338.0 4.56e-22 1.000\n340.0 3.72e-22 1.000\n342.0 3.20e-22 1.000\n344.0 2.68e-22 1.000\n346.0 2.28e-22 1.000\n348.0 1.98e-22 1.000\n350.0 1.68e-22 1.000\n351.0 0.000000 0.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/HNO4_NASA94", "content": "HNO4_NASA94\n! Pernitric Acid Photolysis (HNO4)\n! HNO4 + hv -> HO2 + NO2 \n! Taken from the original RADM data, with NASA (1994) updates\n! format: wl, abs_cs, qy\nCentered\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n 186.100 0.000E+00 1.000E+00\n 187.800 6.754E-18 1.000E+00\n 189.600 1.010E-17 1.000E+00\n 191.400 1.010E-17 1.000E+00\n 193.200 8.360E-18 1.000E+00\n 195.100 8.160E-18 1.000E+00\n 197.000 7.483E-18 1.000E+00\n 199.000 5.630E-18 1.000E+00\n 201.000 5.630E-18 1.000E+00\n 203.100 4.126E-18 1.000E+00\n 205.100 3.670E-18 1.000E+00\n 207.300 3.173E-18 1.000E+00\n 209.400 2.390E-18 1.000E+00\n 211.600 2.297E-18 1.000E+00\n 213.900 1.610E-18 1.000E+00\n 216.200 1.610E-18 1.000E+00\n 218.600 1.200E-18 1.000E+00\n 221.000 1.180E-18 1.000E+00\n 223.500 9.623E-19 1.000E+00\n 226.000 9.350E-19 1.000E+00\n 228.600 8.044E-19 1.000E+00\n 231.200 7.896E-19 1.000E+00\n 233.900 6.820E-19 1.000E+00\n 236.700 6.605E-19 1.000E+00\n 239.500 5.810E-19 1.000E+00\n 242.400 5.371E-19 1.000E+00\n 245.400 4.890E-19 1.000E+00\n 248.500 4.266E-19 1.000E+00\n 251.600 3.990E-19 1.000E+00\n 254.800 3.500E-19 1.000E+00\n 258.100 3.063E-19 1.000E+00\n 261.400 2.744E-19 1.000E+00\n 264.900 2.300E-19 1.000E+00\n 268.500 1.923E-19 1.000E+00\n 272.100 1.623E-19 1.000E+00\n 275.900 1.310E-19 1.000E+00\n 279.700 9.300E-20 1.000E+00\n 283.700 6.824E-20 1.000E+00\n 287.800 4.892E-20 1.000E+00\n 292.000 3.331E-20 1.000E+00\n 296.300 2.172E-20 1.000E+00\n 300.500 1.400E-20 1.000E+00\n 303.000 9.000E-21 1.000E+00\n 304.000 9.000E-21 1.000E+00\n 305.000 9.000E-21 1.000E+00\n 306.000 9.000E-21 1.000E+00\n 307.000 9.000E-21 1.000E+00\n 308.000 5.000E-21 1.000E+00\n 309.000 5.000E-21 1.000E+00\n 310.000 5.000E-21 1.000E+00\n 311.000 5.000E-21 1.000E+00\n 312.000 5.000E-21 1.000E+00\n 313.000 3.000E-21 1.000E+00\n 314.000 3.000E-21 1.000E+00\n 316.000 3.000E-21 1.000E+00\n 320.000 2.000E-21 1.000E+00\n 325.000 1.000E-21 1.000E+00\n 330.000 0.000E+00 1.000E+00\n\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/HNO4_RACM2", "content": "HNO4_RACM2\n! HNO4 + HV = 0.20*HO + 0.80*HO2 + 0.80*NO2 + 0.20*NO3\n! Absorption x-section from NASA - 2006 \n! Quantum yield assumed to be 1.0\n! Supplied by Dr. Wendy Goliff, reformatted by Dr. Golam Sarwar to make it compatible with CMAQ\nPoints \n! With FAC, units are (cm^2/molecule)\nFAC=1.0 \n186.1 0.000E+00 1.000\n187.8 0.000E+00 1.000\n189.6 0.000E+00 1.000\n191.4 0.956E-17 1.000\n193.3 0.882E-17 1.000\n195.2 0.806E-17 1.000\n197.1 0.710E-17 1.000\n199.0 0.614E-17 1.000\n201.0 0.524E-17 1.000\n203.1 0.441E-17 1.000\n205.2 0.362E-17 1.000\n207.3 0.308E-17 1.000\n209.4 0.254E-17 1.000\n211.7 0.212E-17 1.000\n213.9 0.178E-17 1.000\n216.2 0.151E-17 1.000\n218.6 0.130E-17 1.000\n221.0 0.113E-17 1.000\n223.5 0.101E-17 1.000\n226.0 0.906E-18 1.000\n228.6 0.832E-18 1.000\n231.3 0.764E-18 1.000\n234.0 0.704E-18 1.000\n236.7 0.648E-18 1.000\n239.6 0.589E-18 1.000\n242.5 0.535E-18 1.000\n245.4 0.483E-18 1.000\n248.5 0.436E-18 1.000\n251.6 0.393E-18 1.000\n254.8 0.353E-18 1.000\n258.2 0.308E-18 1.000\n261.5 0.269E-18 1.000\n265.0 0.230E-18 1.000\n268.5 0.195E-18 1.000\n272.2 0.160E-18 1.000\n275.9 0.127E-18 1.000\n279.8 0.945E-19 1.000\n283.7 0.711E-19 1.000\n287.8 0.501E-19 1.000\n292.0 0.337E-19 1.000\n296.3 0.224E-19 1.000\n300.5 0.146E-19 1.000\n303.0 0.117E-19 1.000\n304.0 0.105E-19 1.000\n305.0 0.952E-20 1.000\n306.0 0.853E-20 1.000\n307.0 0.778E-20 1.000\n308.0 0.702E-20 1.000\n309.0 0.627E-20 1.000\n310.0 0.551E-20 1.000\n311.0 0.508E-20 1.000\n312.0 0.465E-20 1.000\n313.0 0.423E-20 1.000\n314.0 0.380E-20 1.000\n316.0 0.313E-20 1.000\n320.0 0.216E-20 1.000\n325.0 0.140E-20 1.000\n330.0 0.926E-21 1.000\n335.0 0.595E-21 1.000\n340.0 0.372E-21 1.000\n345.0 0.145E-21 1.000\n350.0 0.168E-21 1.000\n355.0 0.000E+00 1.000\n360.0 0.000E+00 1.000\n365.0 0.000E+00 1.000\n370.0 0.000E+00 1.000\n375.0 0.000E+00 1.000\n380.0 0.000E+00 1.000\n385.0 0.000E+00 1.000\n390.0 0.000E+00 1.000\n395.0 0.000E+00 1.000\n400.0 0.000E+00 1.000\n405.0 0.000E+00 1.000\n410.0 0.000E+00 1.000\n415.0 0.000E+00 1.000\n420.0 0.000E+00 1.000\n425.0 0.000E+00 1.000\n430.0 0.000E+00 1.000\n435.0 0.000E+00 1.000\n440.0 0.000E+00 1.000\n445.0 0.000E+00 1.000\n450.0 0.000E+00 1.000\n455.0 0.000E+00 1.000\n460.0 0.000E+00 1.000\n465.0 0.000E+00 1.000\n470.0 0.000E+00 1.000\n475.0 0.000E+00 1.000\n480.0 0.000E+00 1.000\n485.0 0.000E+00 1.000\n490.0 0.000E+00 1.000\n495.0 0.000E+00 1.000\n500.0 0.000E+00 1.000\n505.0 0.000E+00 1.000\n510.0 0.000E+00 1.000\n515.0 0.000E+00 1.000\n520.0 0.000E+00 1.000\n525.0 0.000E+00 1.000\n530.0 0.000E+00 1.000\n535.0 0.000E+00 1.000\n540.0 0.000E+00 1.000\n545.0 0.000E+00 1.000\n550.0 0.000E+00 1.000\n555.0 0.000E+00 1.000\n560.0 0.000E+00 1.000\n565.0 0.000E+00 1.000\n570.0 0.000E+00 1.000\n575.0 0.000E+00 1.000\n580.0 0.000E+00 1.000\n585.0 0.000E+00 1.000\n590.0 0.000E+00 1.000\n595.0 0.000E+00 1.000\n600.0 0.000E+00 1.000\n605.0 0.000E+00 1.000\n610.0 0.000E+00 1.000\n615.0 0.000E+00 1.000\n620.0 0.000E+00 1.000\n625.0 0.000E+00 1.000\n630.0 0.000E+00 1.000\n635.0 0.000E+00 1.000\n640.0 0.000E+00 1.000\n644.8 0.000E+00 1.000\n651.0 0.000E+00 1.000\n660.0 0.000E+00 1.000\n670.0 0.000E+00 1.000\n680.0 0.000E+00 1.000\n690.0 0.000E+00 1.000\n700.0 0.000E+00 1.000\n710.0 0.000E+00 1.000\n720.0 0.000E+00 1.000\n730.0 0.000E+00 1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/HNO4_RADM88", "content": "HNO4_RADM88\n! Pernitric Acid Photolysis (HNO4)\n! HNO4 + hv -> HO2 + NO2 \n! Abs CS from Molina and Molina [1981];\n! QY assumed to be unity over UV absorption range\n! format: wl, abs_cs, qy\nBeginning\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n 188.679 1.000E-17 1.000E+00\n 190.476 9.000E-18 1.000E+00\n 192.308 7.600E-18 1.000E+00\n 194.175 6.600E-18 1.000E+00\n 196.078 5.600E-18 1.000E+00\n 198.020 4.800E-18 1.000E+00\n 200.000 4.000E-18 1.000E+00\n 202.020 3.400E-18 1.000E+00\n 204.082 2.900E-18 1.000E+00\n 206.186 2.400E-18 1.000E+00\n 208.333 2.100E-18 1.000E+00\n 210.526 1.700E-18 1.000E+00\n 212.766 1.500E-18 1.000E+00\n 215.054 1.300E-18 1.000E+00\n 217.391 1.100E-18 1.000E+00\n 219.780 1.000E-18 1.000E+00\n 222.222 9.000E-19 1.000E+00\n 224.719 8.200E-19 1.000E+00\n 227.273 7.500E-19 1.000E+00\n 229.885 6.800E-19 1.000E+00\n 232.558 6.500E-19 1.000E+00\n 235.294 6.000E-19 1.000E+00\n 238.095 5.500E-19 1.000E+00\n 240.964 5.000E-19 1.000E+00\n 243.902 4.400E-19 1.000E+00\n 246.914 4.000E-19 1.000E+00\n 250.000 3.500E-19 1.000E+00\n 253.165 3.000E-19 1.000E+00\n 256.410 2.700E-19 1.000E+00\n 259.740 2.350E-19 1.000E+00\n 263.158 2.000E-19 1.000E+00\n 266.667 1.800E-19 1.000E+00\n 270.270 1.550E-19 1.000E+00\n 273.973 1.250E-19 1.000E+00\n 277.778 9.000E-20 1.000E+00\n 281.690 6.500E-20 1.000E+00\n 285.714 4.500E-20 1.000E+00\n 289.855 3.100E-20 1.000E+00\n 294.118 2.100E-20 1.000E+00\n 298.500 1.350E-20 1.000E+00\n 302.500 1.100E-20 1.000E+00\n 303.500 1.000E-20 1.000E+00\n 304.500 9.000E-21 1.000E+00\n 305.500 8.500E-21 1.000E+00\n 306.500 7.700E-21 1.000E+00\n 307.500 7.000E-21 1.000E+00\n 308.500 6.600E-21 1.000E+00\n 309.500 6.000E-21 1.000E+00\n 310.500 5.500E-21 1.000E+00\n 311.500 5.100E-21 1.000E+00\n 312.500 4.500E-21 1.000E+00\n 313.500 4.200E-21 1.000E+00\n 314.500 3.300E-21 1.000E+00\n 317.500 2.400E-21 1.000E+00\n 322.500 1.500E-21 1.000E+00\n 327.500 1.000E-21 1.000E+00\n 332.500 0.000E+00 1.000E+00\n\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/HO2NO2_IUPAC04", "content": "HO2NO2_IUPAC04\n! HOONO2 + HV = products\n! From IUPAC Subcommittee on Gas Kinetic Data Evaluation \n! Data Sheet PNOx3_HO2NO2, updated 16th July 2001\n! Website: http://www.iupac-kinetic.ch.cam.ac.uk/\nPoints (These are point values)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n280.0 9.300E-20 1.0\n285.0 6.200E-20 1.0\n290.0 3.900E-20 1.0\n295.0 2.400E-20 1.0\n300.0 1.400E-20 1.0\n305.0 8.500E-21 1.0\n310.0 5.300E-21 1.0\n315.0 3.900E-21 1.0\n320.0 2.400E-21 1.0\n325.0 1.500E-21 1.0\n330.0 9.000E-22 1.0\n335.0 0.0 1.0\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/HO2NO2_SAPRC99", "content": "HO2NO2\n! HO2NO2 + HV = PRODUCTS\n! SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\n! Created from PhotDat.xls on 29-Jan-2000 10:07\nPoints (the mechanism was evaluated assuming this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n190.0 1.010E-17 1.000\n195.0 8.160E-18 1.000\n200.0 5.630E-18 1.000\n205.0 3.670E-18 1.000\n210.0 2.390E-18 1.000\n215.0 1.610E-18 1.000\n220.0 1.180E-18 1.000\n225.0 9.320E-19 1.000\n230.0 7.880E-19 1.000\n235.0 6.800E-19 1.000\n240.0 5.790E-19 1.000\n245.0 4.970E-19 1.000\n250.0 4.110E-19 1.000\n255.0 3.490E-19 1.000\n260.0 2.840E-19 1.000\n265.0 2.290E-19 1.000\n270.0 1.800E-19 1.000\n275.0 1.330E-19 1.000\n280.0 9.300E-20 1.000\n285.0 6.200E-20 1.000\n290.0 3.900E-20 1.000\n295.0 2.400E-20 1.000\n300.0 1.400E-20 1.000\n305.0 8.500E-21 1.000\n310.0 5.300E-21 1.000\n315.0 3.900E-21 1.000\n320.0 2.400E-21 1.000\n325.0 1.500E-21 1.000\n330.0 9.000E-22 1.000\n335.0 0.000E+00 1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/HOBR", "content": "HOBR\n! HOBR + HV = BR + OH\n! HOBr Photolysis data \n! Supplied by Brett Gantt\n! Created from IUPAC dataset 3-Mar-2014 10:00\nPoints (These data can be treated as point values)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n250.0 4.160E-20 1.000\n255.0 6.930E-20 1.000\n260.0 1.050E-19 1.000\n265.0 1.460E-19 1.000\n270.0 1.870E-19 1.000\n275.0 2.210E-19 1.000\n280.0 2.430E-19 1.000\n285.0 2.500E-19 1.000\n290.0 2.400E-19 1.000\n295.0 2.100E-19 1.000\n300.0 1.910E-19 1.000\n305.0 1.620E-19 1.000\n310.0 1.360E-19 1.000\n315.0 1.180E-19 1.000\n320.0 1.080E-19 1.000\n325.0 1.050E-19 1.000\n330.0 1.080E-19 1.000\n335.0 1.130E-19 1.000\n340.0 1.190E-19 1.000\n350.0 1.230E-19 1.000\n345.0 1.250E-19 1.000\n355.0 1.220E-19 1.000\n360.0 1.150E-19 1.000\n365.0 1.050E-19 1.000\n370.0 9.320E-20 1.000\n375.0 8.000E-20 1.000\n380.0 6.660E-20 1.000\n385.0 5.380E-20 1.000\n390.0 4.220E-20 1.000\n395.0 3.240E-20 1.000\n400.0 2.430E-20 1.000\n405.0 1.800E-20 1.000\n410.0 1.360E-20 1.000\n415.0 1.080E-20 1.000\n420.0 9.670E-21 1.000\n425.0 1.000E-20 1.000\n430.0 1.150E-20 1.000\n435.0 1.400E-20 1.000\n440.0 1.680E-20 1.000\n445.0 1.960E-20 1.000\n450.0 2.180E-20 1.000\n455.0 2.280E-20 1.000\n460.0 2.280E-20 1.000\n465.0 2.140E-20 1.000\n470.0 1.910E-20 1.000\n475.0 1.620E-20 1.000\n480.0 1.300E-20 1.000\n485.0 9.930E-21 1.000\n490.0 7.230E-21 1.000\n495.0 5.020E-21 1.000\n500.0 3.340E-21 1.000\n505.0 2.120E-21 1.000\n510.0 1.290E-21 1.000\n515.0 7.500E-22 1.000\n520.0 4.200E-22 1.000\n525.0 2.300E-22 1.000\n530.0 1.200E-22 1.000\n535.0 6.000E-23 1.000\n540.0 3.000E-23 1.000\n545.0 1.000E-24 1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/HOBR_IUPAC10", "content": "HOBR_IUPAC10\n! HOBR + HV = BR + OH\n! HOBr Photolysis data \n! Supplied by Brett Gantt\n! Created from IUPAC dataset\nPoints (these data can be treated as point values)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n250.0 4.160E-20 1.000\n255.0 6.930E-20 1.000\n260.0 1.050E-19 1.000\n265.0 1.460E-19 1.000\n270.0 1.870E-19 1.000\n275.0 2.210E-19 1.000\n280.0 2.430E-19 1.000\n285.0 2.500E-19 1.000\n290.0 2.400E-19 1.000\n295.0 2.100E-19 1.000\n300.0 1.910E-19 1.000\n305.0 1.620E-19 1.000\n310.0 1.360E-19 1.000\n315.0 1.180E-19 1.000\n320.0 1.080E-19 1.000\n325.0 1.050E-19 1.000\n330.0 1.080E-19 1.000\n335.0 1.130E-19 1.000\n340.0 1.190E-19 1.000\n345.0 1.250E-19 1.000\n350.0 1.230E-19 1.000\n355.0 1.220E-19 1.000\n360.0 1.150E-19 1.000\n365.0 1.050E-19 1.000\n370.0 9.320E-20 1.000\n375.0 8.000E-20 1.000\n380.0 6.660E-20 1.000\n385.0 5.380E-20 1.000\n390.0 4.220E-20 1.000\n395.0 3.240E-20 1.000\n400.0 2.430E-20 1.000\n405.0 1.800E-20 1.000\n410.0 1.360E-20 1.000\n415.0 1.080E-20 1.000\n420.0 9.670E-21 1.000\n425.0 1.000E-20 1.000\n430.0 1.150E-20 1.000\n435.0 1.400E-20 1.000\n440.0 1.680E-20 1.000\n445.0 1.960E-20 1.000\n450.0 2.180E-20 1.000\n455.0 2.280E-20 1.000\n460.0 2.280E-20 1.000\n465.0 2.140E-20 1.000\n470.0 1.910E-20 1.000\n475.0 1.620E-20 1.000\n480.0 1.300E-20 1.000\n485.0 9.930E-21 1.000\n490.0 7.230E-21 1.000\n495.0 5.020E-21 1.000\n500.0 3.340E-21 1.000\n505.0 2.120E-21 1.000\n510.0 1.290E-21 1.000\n515.0 7.500E-22 1.000\n520.0 4.200E-22 1.000\n525.0 2.300E-22 1.000\n530.0 1.200E-22 1.000\n535.0 6.000E-23 1.000\n540.0 3.000E-23 1.000\n545.0 1.000E-24 1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/HOBR_IUPAC2014", "content": "HOBR \n! HOBR + HV = BR + OH\n! HOBr Photolysis data \n! Supplied by Brett Gantt\n! Created from IUPAC dataset 3-Mar-2014 10:00\nPoints (These data can be treated as point values)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n250.0 4.160E-20 1.000\n255.0 6.930E-20 1.000\n260.0 1.050E-19 1.000\n265.0 1.460E-19 1.000\n270.0 1.870E-19 1.000\n275.0 2.210E-19 1.000\n280.0 2.430E-19 1.000\n285.0 2.500E-19 1.000\n290.0 2.400E-19 1.000\n295.0 2.100E-19 1.000\n300.0 1.910E-19 1.000\n305.0 1.620E-19 1.000\n310.0 1.360E-19 1.000\n315.0 1.180E-19 1.000\n320.0 1.080E-19 1.000\n325.0 1.050E-19 1.000\n330.0 1.080E-19 1.000\n335.0 1.130E-19 1.000\n340.0 1.190E-19 1.000\n350.0 1.230E-19 1.000\n345.0 1.250E-19 1.000\n355.0 1.220E-19 1.000\n360.0 1.150E-19 1.000\n365.0 1.050E-19 1.000\n370.0 9.320E-20 1.000\n375.0 8.000E-20 1.000\n380.0 6.660E-20 1.000\n385.0 5.380E-20 1.000\n390.0 4.220E-20 1.000\n395.0 3.240E-20 1.000\n400.0 2.430E-20 1.000\n405.0 1.800E-20 1.000\n410.0 1.360E-20 1.000\n415.0 1.080E-20 1.000\n420.0 9.670E-21 1.000\n425.0 1.000E-20 1.000\n430.0 1.150E-20 1.000\n435.0 1.400E-20 1.000\n440.0 1.680E-20 1.000\n445.0 1.960E-20 1.000\n450.0 2.180E-20 1.000\n455.0 2.280E-20 1.000\n460.0 2.280E-20 1.000\n465.0 2.140E-20 1.000\n470.0 1.910E-20 1.000\n475.0 1.620E-20 1.000\n480.0 1.300E-20 1.000\n485.0 9.930E-21 1.000\n490.0 7.230E-21 1.000\n495.0 5.020E-21 1.000\n500.0 3.340E-21 1.000\n505.0 2.120E-21 1.000\n510.0 1.290E-21 1.000\n515.0 7.500E-22 1.000\n520.0 4.200E-22 1.000\n525.0 2.300E-22 1.000\n530.0 1.200E-22 1.000\n535.0 6.000E-23 1.000\n540.0 3.000E-23 1.000\n545.0 1.000E-24 1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/HOCCHO", "content": "HOCCHO \n! Glycolahdehyde photolysis. IUPAC Data Sheet P5, May 2002 \n! From PhotDat.xls \nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n205.0 3.910E-19 0.7500\n206.0 3.370E-19 0.7500\n207.0 2.870E-19 0.7500\n208.0 2.460E-19 0.7500\n209.0 2.120E-19 0.7500\n210.0 1.810E-19 0.7500\n211.0 1.530E-19 0.7500\n212.0 1.300E-19 0.7500\n213.0 1.120E-19 0.7500\n214.0 9.400E-20 0.7500\n215.0 7.840E-20 0.7500\n216.0 6.490E-20 0.7500\n217.0 5.300E-20 0.7500\n218.0 4.260E-20 0.7500\n219.0 3.370E-20 0.7500\n220.0 2.650E-20 0.7500\n221.0 2.130E-20 0.7500\n222.0 1.650E-20 0.7500\n223.0 1.360E-20 0.7500\n224.0 1.120E-20 0.7500\n225.0 9.330E-21 0.7500\n226.0 7.830E-21 0.7500\n227.0 6.910E-21 0.7500\n228.0 6.370E-21 0.7500\n229.0 6.370E-21 0.7500\n230.0 6.490E-21 0.7500\n231.0 6.440E-21 0.7500\n232.0 6.800E-21 0.7500\n233.0 7.230E-21 0.7500\n234.0 7.850E-21 0.7500\n235.0 8.330E-21 0.7500\n236.0 8.800E-21 0.7500\n237.0 9.390E-21 0.7500\n238.0 1.030E-20 0.7500\n239.0 1.110E-20 0.7500\n240.0 1.200E-20 0.7500\n241.0 1.280E-20 0.7500\n242.0 1.380E-20 0.7500\n243.0 1.500E-20 0.7500\n244.0 1.590E-20 0.7500\n245.0 1.710E-20 0.7500\n246.0 1.830E-20 0.7500\n247.0 1.950E-20 0.7500\n248.0 2.090E-20 0.7500\n249.0 2.220E-20 0.7500\n250.0 2.360E-20 0.7500\n251.0 2.500E-20 0.7500\n252.0 2.650E-20 0.7500\n253.0 2.820E-20 0.7500\n254.0 2.970E-20 0.7500\n255.0 3.090E-20 0.7500\n256.0 3.210E-20 0.7500\n257.0 3.390E-20 0.7500\n258.0 3.590E-20 0.7500\n259.0 3.750E-20 0.7500\n260.0 3.890E-20 0.7500\n261.0 4.020E-20 0.7500\n262.0 4.130E-20 0.7500\n263.0 4.240E-20 0.7500\n264.0 4.400E-20 0.7500\n265.0 4.600E-20 0.7500\n266.0 4.750E-20 0.7500\n267.0 4.850E-20 0.7500\n268.0 4.920E-20 0.7500\n269.0 4.990E-20 0.7500\n270.0 5.050E-20 0.7500\n271.0 5.140E-20 0.7500\n272.0 5.230E-20 0.7500\n273.0 5.360E-20 0.7500\n274.0 5.400E-20 0.7500\n275.0 5.410E-20 0.7500\n276.0 5.390E-20 0.7500\n277.0 5.420E-20 0.7500\n278.0 5.370E-20 0.7500\n279.0 5.340E-20 0.7500\n280.0 5.340E-20 0.7500\n281.0 5.370E-20 0.7500\n282.0 5.370E-20 0.7500\n283.0 5.250E-20 0.7500\n284.0 5.120E-20 0.7500\n285.0 5.010E-20 0.7500\n286.0 4.930E-20 0.7500\n287.0 4.800E-20 0.7500\n288.0 4.670E-20 0.7500\n289.0 4.580E-20 0.7500\n290.0 4.500E-20 0.7500\n291.0 4.410E-20 0.7500\n292.0 4.190E-20 0.7500\n293.0 3.960E-20 0.7500\n294.0 3.760E-20 0.7500\n295.0 3.590E-20 0.7500\n296.0 3.460E-20 0.7500\n297.0 3.290E-20 0.7500\n298.0 3.170E-20 0.7500\n299.0 3.020E-20 0.7500\n300.0 2.900E-20 0.7500\n301.0 2.740E-20 0.7500\n302.0 2.510E-20 0.7500\n303.0 2.260E-20 0.7500\n304.0 2.070E-20 0.7500\n305.0 1.910E-20 0.7500\n306.0 1.770E-20 0.7500\n307.0 1.640E-20 0.7500\n308.0 1.500E-20 0.7500\n309.0 1.360E-20 0.7500\n310.0 1.250E-20 0.7500\n311.0 1.150E-20 0.7500\n312.0 1.030E-20 0.7500\n313.0 8.840E-21 0.7500\n314.0 7.710E-21 0.7500\n315.0 6.890E-21 0.7500\n316.0 5.970E-21 0.7500\n317.0 5.160E-21 0.7500\n318.0 4.550E-21 0.7500\n319.0 3.960E-21 0.7500\n320.0 3.290E-21 0.7500\n321.0 2.850E-21 0.7500\n322.0 2.490E-21 0.7500\n323.0 2.130E-21 0.7500\n324.0 1.850E-21 0.7500\n325.0 1.470E-21 0.7500\n326.0 1.280E-21 0.7500\n327.0 1.050E-21 0.7500\n328.0 8.700E-22 0.7500\n329.0 8.400E-22 0.7500\n330.0 6.800E-22 0.7500\n331.0 5.800E-22 0.7500\n332.0 4.300E-22 0.7500\n333.0 4.000E-22 0.7500\n334.0 4.000E-22 0.7500\n335.0 3.900E-22 0.7500\n336.0 0.000E+00 0.7500\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/HOCCHO_IUPAC", "content": "HOCCHO_IUPAC\t\t\n! HOCH2CHO + hv ---> products\t\t\n! IUPAC (2002) based on Bacher et al (2001), J. Atm. Chem, 39, 171.\n! quantum yield = 0.75+/-0.25\t\t\n! lambda(nm) xcross(1.E+20*cm2) yield\t\nPoints (the mechanism evaluated with this format) \t\t\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n205.0 3.910E-19 0.750\n206.0 3.370E-19 0.750\n207.0 2.870E-19 0.750\n208.0 2.460E-19 0.750\n209.0 2.120E-19 0.750\n210.0 1.810E-19 0.750\n211.0 1.530E-19 0.750\n212.0 1.300E-19 0.750\n213.0 1.120E-19 0.750\n214.0 9.400E-20 0.750\n215.0 7.840E-20 0.750\n216.0 6.490E-20 0.750\n217.0 5.300E-20 0.750\n218.0 4.260E-20 0.750\n219.0 3.370E-20 0.750\n220.0 2.650E-20 0.750\n221.0 2.130E-20 0.750\n222.0 1.650E-20 0.750\n223.0 1.360E-20 0.750\n224.0 1.120E-20 0.750\n225.0 9.330E-21 0.750\n226.0 7.830E-21 0.750\n227.0 6.910E-21 0.750\n228.0 6.370E-21 0.750\n229.0 6.370E-21 0.750\n230.0 6.490E-21 0.750\n231.0 6.440E-21 0.750\n232.0 6.800E-21 0.750\n233.0 7.230E-21 0.750\n234.0 7.850E-21 0.750\n235.0 8.330E-21 0.750\n236.0 8.800E-21 0.750\n237.0 9.390E-21 0.750\n238.0 1.030E-20 0.750\n239.0 1.110E-20 0.750\n240.0 1.200E-20 0.750\n241.0 1.280E-20 0.750\n242.0 1.380E-20 0.750\n243.0 1.500E-20 0.750\n244.0 1.590E-20 0.750\n245.0 1.710E-20 0.750\n246.0 1.830E-20 0.750\n247.0 1.950E-20 0.750\n248.0 2.090E-20 0.750\n249.0 2.220E-20 0.750\n251.0 2.500E-20 0.750\n252.0 2.650E-20 0.750\n253.0 2.820E-20 0.750\n254.0 2.970E-20 0.750\n255.0 3.090E-20 0.750\n256.0 3.210E-20 0.750\n257.0 3.390E-20 0.750\n258.0 3.590E-20 0.750\n259.0 3.750E-20 0.750\n260.0 3.890E-20 0.750\n261.0 4.020E-20 0.750\n262.0 4.130E-20 0.750\n263.0 4.240E-20 0.750\n264.0 4.400E-20 0.750\n265.0 4.600E-20 0.750\n266.0 4.750E-20 0.750\n267.0 4.850E-20 0.750\n268.0 4.920E-20 0.750\n269.0 4.990E-20 0.750\n270.0 5.050E-20 0.750\n271.0 5.140E-20 0.750\n272.0 5.230E-20 0.750\n273.0 5.360E-20 0.750\n274.0 5.400E-20 0.750\n275.0 5.410E-20 0.750\n276.0 5.390E-20 0.750\n277.0 5.420E-20 0.750\n278.0 5.370E-20 0.750\n279.0 5.340E-20 0.750\n280.0 5.340E-20 0.750\n281.0 5.370E-20 0.750\n282.0 5.370E-20 0.750\n283.0 5.250E-20 0.750\n284.0 5.120E-20 0.750\n285.0 5.010E-20 0.750\n286.0 4.930E-20 0.750\n287.0 4.800E-20 0.750\n288.0 4.670E-20 0.750\n289.0 4.580E-20 0.750\n290.0 4.500E-20 0.750\n291.0 4.410E-20 0.750\n292.0 4.190E-20 0.750\n293.0 3.960E-20 0.750\n294.0 3.760E-20 0.750\n295.0 3.590E-20 0.750\n296.0 3.460E-20 0.750\n297.0 3.290E-20 0.750\n298.0 3.170E-20 0.750\n299.0 3.020E-20 0.750\n300.0 2.900E-20 0.750\n301.0 2.740E-20 0.750\n302.0 2.510E-20 0.750\n303.0 2.260E-20 0.750\n304.0 2.070E-20 0.750\n305.0 1.910E-20 0.750\n306.0 1.770E-20 0.750\n307.0 1.640E-20 0.750\n308.0 1.500E-20 0.750\n309.0 1.360E-20 0.750\n310.0 1.250E-20 0.750\n311.0 1.150E-20 0.750\n312.0 1.030E-20 0.750\n313.0 8.840E-21 0.750\n314.0 7.710E-21 0.750\n315.0 6.890E-21 0.750\n316.0 5.970E-21 0.750\n317.0 5.160E-21 0.750\n318.0 4.550E-21 0.750\n319.0 3.960E-21 0.750\n320.0 3.290E-21 0.750\n321.0 2.850E-21 0.750\n322.0 2.490E-21 0.750\n323.0 2.130E-21 0.750\n324.0 1.850E-21 0.750\n325.0 1.470E-21 0.750\n326.0 1.280E-21 0.750\n327.0 1.050E-21 0.750\n328.0 8.700E-22 0.750\n329.0 8.400E-22 0.750\n330.0 6.800E-22 0.750\n331.0 5.800E-22 0.750\n332.0 4.300E-22 0.750\n333.0 4.000E-22 0.750\n334.0 4.000E-22 0.750\n335.0 3.900E-22 0.750\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/HOCCHO_JPL2011", "content": "HOCCHO_JPL2011 \n! HOCH2CHO + hv ---> products \n!JPL 2011 recommendation for HOCH2CHO absorption cross-seciotn and total \n!quantum yield. Four channels but the fourth is considered insignificant:\n! HOCH2CHO + hv ---> CH2OH+HCO phi1=0.83\n! HOCH2CHO + hv ---> CH3OH+CO phi2=0.10 \n! HOCH2CHO + hv ---> OH+CH2CHO phi3=0.07\n! HOCH2CHO + hv ---> HOCH2CO+H phi4=0.00\n!Sander, S. P., Abbatt, J., Barker, J. R., Burkholder, J. B., Friedl, R. R., \n!Golden, D. M., et al. (2011). Chemical Kinetics and Photochemical Data for \n!Use in Atmospheric Studies, Evaluation No. 17. Pasadena, CA: Jet Propulsion \n!Laboratory. \n!http://jpldataeval.jpl.nasa.gov/pdf/JPL%2010-6%20Final%2015June2011.pdf\nPoints \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n208.0 2.060E-19 1.00\n210.0 1.310E-19 1.00\n212.0 8.150E-20 1.00\n214.0 4.930E-20 1.00\n216.0 2.940E-20 1.00\n218.0 1.720E-20 1.00\n220.0 1.000E-20 1.00\n222.0 6.400E-21 1.00\n224.0 4.500E-21 1.00\n226.0 3.900E-21 1.00\n228.0 4.200E-21 1.00\n230.0 5.300E-21 1.00\n232.0 6.300E-21 1.00\n234.0 7.900E-21 1.00\n236.0 9.700E-21 1.00\n238.0 1.150E-20 1.00\n240.0 1.390E-20 1.00\n242.0 1.630E-20 1.00\n244.0 1.770E-20 1.00\n246.0 2.250E-20 1.00\n248.0 2.570E-20 1.00\n250.0 2.940E-20 1.00\n252.0 3.370E-20 1.00\n254.0 3.760E-20 1.00\n256.0 4.150E-20 1.00\n258.0 4.610E-20 1.00\n260.0 5.030E-20 1.00\n262.0 5.330E-20 1.00\n264.0 5.680E-20 1.00\n266.0 6.100E-20 1.00\n268.0 6.350E-20 1.00\n270.0 6.490E-20 1.00\n272.0 6.740E-20 1.00\n274.0 6.980E-20 1.00\n276.0 6.980E-20 1.00\n278.0 6.930E-20 1.00\n280.0 6.910E-20 1.00\n282.0 6.920E-20 1.00\n284.0 6.600E-20 1.00\n286.0 6.380E-20 1.00\n288.0 6.090E-20 1.00\n290.0 5.880E-20 1.00\n292.0 5.430E-20 1.00\n294.0 4.870E-20 1.00\n296.0 4.500E-20 1.00\n298.0 4.100E-20 1.00\n300.0 3.740E-20 1.00\n302.0 3.190E-20 1.00\n304.0 2.650E-20 1.00\n306.0 2.260E-20 1.00\n308.0 1.880E-20 1.00\n310.0 1.570E-20 1.00\n312.0 1.280E-20 1.00\n314.0 9.400E-21 1.00\n316.0 7.000E-21 1.00\n318.0 5.300E-21 1.00\n320.0 4.000E-21 1.00\n322.0 3.100E-21 1.00\n324.0 2.100E-21 1.00\n326.0 1.400E-21 1.00\n328.0 1.000E-21 1.00\n330.0 7.000E-22 1.00\n332.0 4.000E-22 1.00\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/HOCCHO_RACM2", "content": "HOCCHO_RACM2\n! copied from HOCCHO_JPL2011 \n! GLYC + hv = 2.0 HO2 + HCHO + CO\n! GLYC: C2H4O2: glycoaldehyde(hydroxyacetaldehyde) \n! JPL 2011 recommendation for HOCH2CHO absorption cross-seciotn and total \n! quantum yield. \n!Sander et al. (2011). \nPoints \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n208.0 2.060E-19 1.00\n210.0 1.310E-19 1.00\n212.0 8.150E-20 1.00\n214.0 4.930E-20 1.00\n216.0 2.940E-20 1.00\n218.0 1.720E-20 1.00\n220.0 1.000E-20 1.00\n222.0 6.400E-21 1.00\n224.0 4.500E-21 1.00\n226.0 3.900E-21 1.00\n228.0 4.200E-21 1.00\n230.0 5.300E-21 1.00\n232.0 6.300E-21 1.00\n234.0 7.900E-21 1.00\n236.0 9.700E-21 1.00\n238.0 1.150E-20 1.00\n240.0 1.390E-20 1.00\n242.0 1.630E-20 1.00\n244.0 1.770E-20 1.00\n246.0 2.250E-20 1.00\n248.0 2.570E-20 1.00\n250.0 2.940E-20 1.00\n252.0 3.370E-20 1.00\n254.0 3.760E-20 1.00\n256.0 4.150E-20 1.00\n258.0 4.610E-20 1.00\n260.0 5.030E-20 1.00\n262.0 5.330E-20 1.00\n264.0 5.680E-20 1.00\n266.0 6.100E-20 1.00\n268.0 6.350E-20 1.00\n270.0 6.490E-20 1.00\n272.0 6.740E-20 1.00\n274.0 6.980E-20 1.00\n276.0 6.980E-20 1.00\n278.0 6.930E-20 1.00\n280.0 6.910E-20 1.00\n282.0 6.920E-20 1.00\n284.0 6.600E-20 1.00\n286.0 6.380E-20 1.00\n288.0 6.090E-20 1.00\n290.0 5.880E-20 1.00\n292.0 5.430E-20 1.00\n294.0 4.870E-20 1.00\n296.0 4.500E-20 1.00\n298.0 4.100E-20 1.00\n300.0 3.740E-20 1.00\n302.0 3.190E-20 1.00\n304.0 2.650E-20 1.00\n306.0 2.260E-20 1.00\n308.0 1.880E-20 1.00\n310.0 1.570E-20 1.00\n312.0 1.280E-20 1.00\n314.0 9.400E-21 1.00\n316.0 7.000E-21 1.00\n318.0 5.300E-21 1.00\n320.0 4.000E-21 1.00\n322.0 3.100E-21 1.00\n324.0 2.100E-21 1.00\n326.0 1.400E-21 1.00\n328.0 1.000E-21 1.00\n330.0 7.000E-22 1.00\n332.0 4.000E-22 1.00\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/HOCL-06", "content": "HOCL-06 \n! HOCL absorption cross sections recommended by IUPAC (2005) \n! \n! \nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n280.0 4.640E-20 1.0000\n282.0 4.620E-20 1.0000\n284.0 4.680E-20 1.0000\n286.0 4.790E-20 1.0000\n288.0 4.950E-20 1.0000\n290.0 5.130E-20 1.0000\n292.0 5.330E-20 1.0000\n294.0 5.520E-20 1.0000\n296.0 5.710E-20 1.0000\n298.0 5.860E-20 1.0000\n300.0 5.990E-20 1.0000\n302.0 6.080E-20 1.0000\n304.0 6.120E-20 1.0000\n306.0 6.120E-20 1.0000\n308.0 6.070E-20 1.0000\n310.0 5.970E-20 1.0000\n312.0 5.840E-20 1.0000\n314.0 5.660E-20 1.0000\n316.0 5.450E-20 1.0000\n318.0 5.210E-20 1.0000\n320.0 4.950E-20 1.0000\n322.0 4.670E-20 1.0000\n324.0 4.380E-20 1.0000\n326.0 4.090E-20 1.0000\n328.0 3.790E-20 1.0000\n330.0 3.500E-20 1.0000\n332.0 3.210E-20 1.0000\n334.0 2.940E-20 1.0000\n336.0 2.680E-20 1.0000\n338.0 2.440E-20 1.0000\n340.0 2.220E-20 1.0000\n342.0 2.030E-20 1.0000\n344.0 1.840E-20 1.0000\n346.0 1.690E-20 1.0000\n348.0 1.550E-20 1.0000\n350.0 1.430E-20 1.0000\n352.0 1.330E-20 1.0000\n354.0 1.240E-20 1.0000\n356.0 1.170E-20 1.0000\n358.0 1.110E-20 1.0000\n360.0 1.060E-20 1.0000\n362.0 1.020E-20 1.0000\n364.0 9.850E-21 1.0000\n366.0 9.510E-21 1.0000\n368.0 9.190E-21 1.0000\n370.0 8.880E-21 1.0000\n372.0 8.550E-21 1.0000\n374.0 8.220E-21 1.0000\n376.0 7.860E-21 1.0000\n378.0 7.480E-21 1.0000\n380.0 7.080E-21 1.0000\n382.0 6.670E-21 1.0000\n384.0 6.240E-21 1.0000\n386.0 5.800E-21 1.0000\n388.0 5.350E-21 1.0000\n390.0 4.910E-21 1.0000\n392.0 4.470E-21 1.0000\n394.0 4.050E-21 1.0000\n396.0 3.640E-21 1.0000\n398.0 3.250E-21 1.0000\n400.0 2.880E-21 1.0000\n402.0 2.540E-21 1.0000\n404.0 2.220E-21 1.0000\n406.0 1.940E-21 1.0000\n408.0 1.680E-21 1.0000\n410.0 1.440E-21 1.0000\n412.0 1.240E-21 1.0000\n414.0 1.050E-21 1.0000\n416.0 8.900E-22 1.0000\n418.0 7.500E-22 1.0000\n420.0 6.300E-22 1.0000\n422.0 0.000E+00 1.0000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/HOCL_06", "content": "HOCL-06 \n! HOCL absorption cross sections recommended by IUPAC (2005).\n!\nPoints (the mechanism evaluated with this format).\n! With FAC, units are (cm^2/molecule)\nFAC=1.0 \n200.0 7.180E-20 1.0000\n202.0 6.390E-20 1.0000\n204.0 5.810E-20 1.0000\n206.0 5.460E-20 1.0000\n208.0 5.370E-20 1.0000\n210.0 5.540E-20 1.0000\n212.0 5.980E-20 1.0000\n214.0 6.680E-20 1.0000\n216.0 7.630E-20 1.0000\n218.0 8.810E-20 1.0000\n220.0 1.020E-19 1.0000\n222.0 1.160E-19 1.0000\n224.0 1.320E-19 1.0000\n226.0 1.470E-19 1.0000\n228.0 1.620E-19 1.0000\n230.0 1.750E-19 1.0000\n232.0 1.870E-19 1.0000\n234.0 1.960E-19 1.0000\n236.0 2.020E-19 1.0000\n238.0 2.050E-19 1.0000\n240.0 2.060E-19 1.0000\n242.0 2.030E-19 1.0000\n244.0 1.980E-19 1.0000\n246.0 1.900E-19 1.0000\n248.0 1.810E-19 1.0000\n250.0 1.700E-19 1.0000\n252.0 1.580E-19 1.0000\n254.0 1.460E-19 1.0000\n256.0 1.330E-19 1.0000\n260.0 1.090E-19 1.0000\n262.0 9.730E-20 1.0000\n264.0 8.680E-20 1.0000\n266.0 7.750E-20 1.0000\n268.0 6.940E-20 1.0000\n270.0 6.250E-20 1.0000\n272.0 5.690E-20 1.0000\n274.0 5.290E-20 1.0000\n276.0 4.940E-20 1.0000\n278.0 4.740E-20 1.0000\n280.0 4.640E-20 1.0000 \n282.0 4.620E-20 1.0000 \n284.0 4.680E-20 1.0000 \n286.0 4.790E-20 1.0000 \n288.0 4.950E-20 1.0000\n290.0 5.130E-20 1.0000\n292.0 5.330E-20 1.0000\n294.0 5.520E-20 1.0000\n296.0 5.710E-20 1.0000\n298.0 5.860E-20 1.0000\n300.0 5.990E-20 1.0000\n302.0 6.080E-20 1.0000\n304.0 6.120E-20 1.0000\n306.0 6.120E-20 1.0000\n308.0 6.070E-20 1.0000\n310.0 5.970E-20 1.0000\n312.0 5.840E-20 1.0000\n314.0 5.660E-20 1.0000\n316.0 5.450E-20 1.0000\n318.0 5.210E-20 1.0000\n320.0 4.950E-20 1.0000\n322.0 4.670E-20 1.0000\n324.0 4.380E-20 1.0000\n326.0 4.090E-20 1.0000\n328.0 3.790E-20 1.0000\n330.0 3.500E-20 1.0000\n332.0 3.210E-20 1.0000\n334.0 2.940E-20 1.0000\n336.0 2.680E-20 1.0000\n338.0 2.440E-20 1.0000\n340.0 2.220E-20 1.0000\n342.0 2.030E-20 1.0000\n344.0 1.840E-20 1.0000\n346.0 1.690E-20 1.0000\n348.0 1.550E-20 1.0000\n350.0 1.430E-20 1.0000\n352.0 1.330E-20 1.0000\n354.0 1.240E-20 1.0000\n356.0 1.170E-20 1.0000\n358.0 1.110E-20 1.0000\n360.0 1.060E-20 1.0000\n362.0 1.020E-20 1.0000\n364.0 9.850E-21 1.0000\n366.0 9.510E-21 1.0000\n368.0 9.190E-21 1.0000\n370.0 8.880E-21 1.0000\n372.0 8.550E-21 1.0000\n374.0 8.220E-21 1.0000\n376.0 7.860E-21 1.0000\n378.0 7.480E-21 1.0000\n380.0 7.080E-21 1.0000\n382.0 6.670E-21 1.0000\n384.0 6.240E-21 1.0000\n386.0 5.800E-21 1.0000\n388.0 5.350E-21 1.0000\n390.0 4.910E-21 1.0000\n392.0 4.470E-21 1.0000\n394.0 4.050E-21 1.0000\n396.0 3.640E-21 1.0000\n398.0 3.250E-21 1.0000\n400.0 2.880E-21 1.0000\n402.0 2.540E-21 1.0000\n404.0 2.220E-21 1.0000\n406.0 1.940E-21 1.0000\n408.0 1.680E-21 1.0000\n410.0 1.440E-21 1.0000\n412.0 1.240E-21 1.0000\n414.0 1.050E-21 1.0000\n416.0 8.900E-22 1.0000\n418.0 7.500E-22 1.0000\n420.0 6.300E-22 1.0000\n422.0 0.000E+00 1.0000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/HOCL_IUPAC04", "content": "HOCL_IUPAC04\n! HOCL + HV = HO + CL\n! IUPAC Subcommittee on Gas Kinetic Data Evaluation; Data Sheet PCl2 Website: 15th December 2000\n! Website: http://www.iupac-kinetic.ch.cam.ac.uk\n! Assume these are point values - not specified in data source\nPOINT \n!With FAC, units are (cm^2/molecule)\nFAC=1.0E-20\n200 7.18 1\n202 6.39 1\n204 5.81 1\n206 5.46 1\n208 5.37 1\n210 5.54 1\n212 5.98 1\n214 6.68 1\n216 7.63 1\n218 8.81 1\n220 10.2 1\n222 11.6 1\n224 13.2 1\n226 14.7 1\n228 16.2 1\n230 17.5 1\n232 18.7 1\n234 19.6 1\n236 20.2 1\n238 20.5 1\n240 20.6 1\n242 20.3 1\n244 19.8 1\n246 19.0 1\n248 18.1 1\n250 17.0 1\n252 15.8 1\n254 14.6 1\n256 13.3 1\n258 12.1 1\n260 10.9 1\n262 9.73 1\n264 8.68 1\n266 7.75 1\n268 6.94 1\n270 6.25 1\n272 5.69 1\n274 5.29 1\n276 4.94 1\n278 4.74 1\n280 4.64 1\n282 4.62 1\n284 4.68 1\n286 4.79 1\n288 4.95 1\n290 5.13 1\n292 5.33 1\n294 5.52 1\n296 5.71 1\n298 5.86 1\n300 5.99 1\n302 6.08 1\n304 6.12 1\n306 6.12 1\n308 6.07 1\n310 5.97 1\n312 5.84 1\n314 5.66 1\n316 5.45 1\n318 5.21 1\n320 4.95 1\n322 4.67 1\n324 4.38 1\n326 4.09 1\n328 3.79 1\n330 3.50 1\n332 3.21 1\n334 2.94 1\n336 2.68 1\n338 2.44 1\n340 2.22 1\n342 2.03 1\n344 1.84 1\n346 1.69 1\n348 1.55 1\n350 1.43 1\n352 1.33 1\n354 1.24 1\n356 1.17 1\n358 1.11 1\n360 1.06 1\n362 1.02 1\n364 0.985 1\n366 0.951 1\n368 0.919 1\n370 0.888 1\n372 0.855 1\n374 0.822 1\n376 0.786 1\n378 0.748 1\n380 0.708 1\n382 0.667 1\n384 0.624 1\n386 0.580 1\n388 0.535 1\n390 0.491 1\n392 0.447 1\n394 0.405 1\n396 0.364 1\n398 0.325 1\n400 0.288 1\n402 0.254 1\n404 0.222 1\n406 0.194 1\n408 0.168 1\n410 0.144 1\n412 0.124 1\n414 0.105 1\n416 0.089 1\n418 0.075 1\n420 0.063 1\n\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/HOI_IUPAC10", "content": "HOI_IUPAC10\n! HOI + HV = I + OH\n! HOI Photolysis data\n! Supplied by Golam Sarwar \n! Created from IUPAC dataset PI2\nPoints (these data can be treated as point values)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n280.0 7.700E-22 1.000\n285.0 2.260E-21 1.000\n290.0 5.890E-21 1.000\n295.0 1.370E-20 1.000\n300.0 2.860E-20 1.000\n305.0 5.410E-20 1.000\n310.0 9.260E-20 1.000\n315.0 1.450E-19 1.000\n320.0 2.070E-19 1.000\n325.0 2.720E-19 1.000\n330.0 3.290E-19 1.000\n335.0 3.700E-19 1.000\n340.0 3.850E-19 1.000\n345.0 3.770E-19 1.000\n350.0 3.470E-19 1.000\n355.0 3.040E-19 1.000\n360.0 2.580E-19 1.000\n365.0 2.210E-19 1.000\n370.0 1.980E-19 1.000\n375.0 1.940E-19 1.000\n380.0 2.070E-19 1.000\n385.0 2.330E-19 1.000\n390.0 2.660E-19 1.000\n395.0 2.980E-19 1.000\n400.0 3.220E-19 1.000\n405.0 3.320E-19 1.000\n410.0 3.270E-19 1.000\n415.0 3.070E-19 1.000\n420.0 2.750E-19 1.000\n425.0 2.350E-19 1.000\n430.0 1.920E-19 1.000\n435.0 1.500E-19 1.000\n440.0 1.130E-19 1.000\n445.0 8.130E-20 1.000\n450.0 5.630E-20 1.000\n455.0 3.760E-20 1.000\n460.0 2.420E-20 1.000\n465.0 1.500E-20 1.000\n470.0 9.040E-21 1.000\n475.0 5.250E-21 1.000\n480.0 2.960E-21 1.000\n485.0 1.610E-21 1.000\n490.0 8.600E-22 1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/HONO-06", "content": "HONO-06 \n! HONO + HV = HO. + NO \n! NASA (2006) recommended absorption cross sections. No recommendation on quantum\n! IUPAC (2005) recommendation (Data Sheet PNOx1, July, 2001) recommends unit quan\n! (IUPAC recommended absorption cross sections are low resolution, so NASA values\n! \nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n270.0 3.700E-20 1.0000\n272.0 3.000E-20 1.0000\n274.0 2.500E-20 1.0000\n296.0 3.260E-21 1.0000\n297.0 5.650E-21 1.0000\n298.0 5.170E-21 1.0000\n299.0 4.290E-21 1.0000\n300.0 6.170E-21 1.0000\n301.0 6.900E-21 1.0000\n302.0 5.790E-21 1.0000\n303.0 9.250E-21 1.0000\n304.0 1.040E-20 1.0000\n305.0 1.570E-20 1.0000\n306.0 1.290E-20 1.0000\n307.0 9.160E-21 1.0000\n308.0 1.450E-20 1.0000\n309.0 2.010E-20 1.0000\n310.0 1.510E-20 1.0000\n311.0 2.070E-20 1.0000\n312.0 2.420E-20 1.0000\n313.0 2.250E-20 1.0000\n314.0 3.350E-20 1.0000\n315.0 2.540E-20 1.0000\n316.0 1.610E-20 1.0000\n317.0 3.210E-20 1.0000\n318.0 4.490E-20 1.0000\n319.0 3.190E-20 1.0000\n320.0 4.660E-20 1.0000\n321.0 5.960E-20 1.0000\n322.0 4.050E-20 1.0000\n323.0 4.560E-20 1.0000\n324.0 5.890E-20 1.0000\n325.0 4.050E-20 1.0000\n326.0 2.650E-20 1.0000\n326.5 3.550E-20 1.0000\n327.0 6.440E-20 1.0000\n327.5 1.026E-19 1.0000\n328.0 9.220E-20 1.0000\n328.5 6.380E-20 1.0000\n329.0 5.200E-20 1.0000\n329.5 6.120E-20 1.0000\n330.0 9.920E-20 1.0000\n330.5 1.506E-19 1.0000\n331.0 1.432E-19 1.0000\n331.5 9.880E-20 1.0000\n332.0 6.940E-20 1.0000\n332.5 6.000E-20 1.0000\n333.0 6.310E-20 1.0000\n333.5 7.110E-20 1.0000\n334.0 8.350E-20 1.0000\n334.5 8.370E-20 1.0000\n335.0 7.710E-20 1.0000\n335.5 6.550E-20 1.0000\n336.0 5.330E-20 1.0000\n336.5 4.360E-20 1.0000\n337.0 4.230E-20 1.0000\n337.5 5.130E-20 1.0000\n338.0 9.380E-20 1.0000\n338.5 1.652E-19 1.0000\n339.0 1.432E-19 1.0000\n339.5 9.960E-20 1.0000\n340.0 7.790E-20 1.0000\n340.5 8.510E-20 1.0000\n341.0 1.613E-19 1.0000\n341.5 3.152E-19 1.0000\n342.0 2.940E-19 1.0000\n342.5 1.847E-19 1.0000\n343.0 1.143E-19 1.0000\n343.5 8.290E-20 1.0000\n344.0 7.590E-20 1.0000\n344.5 8.180E-20 1.0000\n345.0 8.770E-20 1.0000\n345.5 9.100E-20 1.0000\n346.0 9.640E-20 1.0000\n346.5 8.870E-20 1.0000\n347.0 7.800E-20 1.0000\n347.5 7.060E-20 1.0000\n348.0 6.630E-20 1.0000\n348.5 6.260E-20 1.0000\n349.0 6.000E-20 1.0000\n349.5 6.470E-20 1.0000\n350.0 9.060E-20 1.0000\n350.5 1.495E-19 1.0000\n351.0 1.694E-19 1.0000\n351.5 1.407E-19 1.0000\n352.0 1.242E-19 1.0000\n352.5 1.281E-19 1.0000\n353.0 1.634E-19 1.0000\n353.5 2.849E-19 1.0000\n354.0 4.873E-19 1.0000\n354.5 4.434E-19 1.0000\n355.0 2.764E-19 1.0000\n355.5 1.640E-19 1.0000\n356.0 1.113E-19 1.0000\n356.5 9.350E-20 1.0000\n357.0 9.450E-20 1.0000\n357.5 1.008E-19 1.0000\n358.0 9.840E-20 1.0000\n358.5 9.020E-20 1.0000\n359.0 8.370E-20 1.0000\n359.5 7.670E-20 1.0000\n360.0 6.870E-20 1.0000\n360.5 6.320E-20 1.0000\n361.0 6.050E-20 1.0000\n361.5 5.950E-20 1.0000\n362.0 5.980E-20 1.0000\n362.5 6.350E-20 1.0000\n363.0 7.390E-20 1.0000\n363.5 9.220E-20 1.0000\n364.0 1.149E-19 1.0000\n364.5 1.271E-19 1.0000\n365.0 1.282E-19 1.0000\n365.5 1.319E-19 1.0000\n366.0 1.484E-19 1.0000\n366.5 1.843E-19 1.0000\n367.0 2.508E-19 1.0000\n367.5 3.518E-19 1.0000\n368.0 4.356E-19 1.0000\n368.5 4.137E-19 1.0000\n369.0 3.145E-19 1.0000\n369.5 2.172E-19 1.0000\n369.9 1.505E-19 1.0000\n370.1 9.490E-20 1.0000\n372.0 7.960E-20 1.0000\n373.0 6.300E-20 1.0000\n374.0 4.590E-20 1.0000\n375.0 3.550E-20 1.0000\n376.0 3.360E-20 1.0000\n377.0 3.660E-20 1.0000\n378.0 4.330E-20 1.0000\n379.0 5.660E-20 1.0000\n380.0 7.210E-20 1.0000\n381.0 9.130E-20 1.0000\n382.0 1.244E-19 1.0000\n383.0 1.703E-19 1.0000\n384.0 1.947E-19 1.0000\n385.0 1.609E-19 1.0000\n386.0 1.052E-19 1.0000\n387.0 6.590E-20 1.0000\n388.0 4.300E-20 1.0000\n389.0 2.810E-20 1.0000\n390.0 1.710E-20 1.0000\n391.0 9.920E-21 1.0000\n392.0 7.310E-21 1.0000\n393.0 5.970E-21 1.0000\n394.0 5.280E-21 1.0000\n395.0 4.030E-21 1.0000\n396.0 2.370E-21 1.0000\n397.0 7.100E-22 1.0000\n398.0 0.000E+00 1.0000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/HONO_06", "content": "HONO-06 \n! HONO + HV = HO. + NO \n! NASA (2006) recommended absorption cross sections. No recommendation on quantum\n! IUPAC (205) recommendation (Data Sheet PNOx1, July, 2001) recommends unit quan\n! (IUPAC recommended absorption cross sections are low resolution, so NASA values\n! \nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n184.0 8.500E-19 1.000 \n186.0 9.500E-19 1.000\n188.0 1.060E-18 1.000\n190.0 1.240E-18 1.000\n192.0 1.430E-18 1.000\n194.0 1.620E-18 1.000\n196.0 1.790E-18 1.000\n198.0 1.960E-18 1.000\n200.0 2.100E-18 1.000\n202.0 2.190E-18 1.000\n204.0 2.230E-18 1.000\n205.0 2.240E-18 1.000\n206.0 2.230E-18 1.000\n208.0 2.200E-18 1.000\n210.0 2.130E-18 1.000\n212.0 2.040E-18 1.000\n214.0 1.930E-18 1.000\n216.0 1.790E-18 1.000\n218.0 1.640E-18 1.000\n220.0 1.500E-18 1.000\n222.0 1.350E-18 1.000\n224.0 1.210E-18 1.000\n226.0 1.080E-18 1.000\n228.0 9.450E-19 1.000\n230.0 8.450E-19 1.000\n232.0 7.400E-19 1.000\n234.0 6.600E-19 1.000\n236.0 5.800E-19 1.000\n238.0 5.000E-19 1.000\n240.0 4.300E-19 1.000\n242.0 3.700E-19 1.000\n244.0 3.200E-19 1.000\n246.0 2.750E-19 1.000\n248.0 2.350E-19 1.000\n250.0 2.000E-19 1.000\n252.0 1.700E-19 1.000\n254.0 1.450E-19 1.000\n256.0 1.230E-19 1.000\n258.0 1.030E-19 1.000\n260.0 8.600E-20 1.000\n262.0 7.300E-20 1.000\n264.0 6.200E-20 1.000\n266.0 5.300E-20 1.000\n268.0 4.300E-20 1.000\n270.0 3.700E-20 1.0000\n272.0 3.000E-20 1.0000\n274.0 2.500E-20 1.0000\n296.0 3.260E-21 1.0000\n297.0 5.650E-21 1.0000\n298.0 5.170E-21 1.0000\n299.0 4.290E-21 1.0000\n300.0 6.170E-21 1.0000\n301.0 6.900E-21 1.0000\n302.0 5.790E-21 1.0000\n303.0 9.250E-21 1.0000\n304.0 1.040E-20 1.0000\n305.0 1.570E-20 1.0000\n306.0 1.290E-20 1.0000\n307.0 9.160E-21 1.0000\n308.0 1.450E-20 1.0000\n309.0 2.010E-20 1.0000\n310.0 1.510E-20 1.0000\n311.0 2.070E-20 1.0000\n312.0 2.420E-20 1.0000\n313.0 2.250E-20 1.0000\n314.0 3.350E-20 1.0000\n315.0 2.540E-20 1.0000\n316.0 1.610E-20 1.0000\n317.0 3.210E-20 1.0000\n318.0 4.490E-20 1.0000\n319.0 3.190E-20 1.0000\n320.0 4.660E-20 1.0000\n321.0 5.960E-20 1.0000\n322.0 4.050E-20 1.0000\n323.0 4.560E-20 1.0000\n324.0 5.890E-20 1.0000\n325.0 4.050E-20 1.0000\n326.0 2.650E-20 1.0000\n326.5 3.550E-20 1.0000\n327.0 6.440E-20 1.0000\n327.5 1.026E-19 1.0000\n328.0 9.220E-20 1.0000\n328.5 6.380E-20 1.0000\n329.0 5.200E-20 1.0000\n329.5 6.120E-20 1.0000\n330.0 9.920E-20 1.0000\n330.5 1.506E-19 1.0000\n331.0 1.432E-19 1.0000\n331.5 9.880E-20 1.0000\n332.0 6.940E-20 1.0000\n332.5 6.000E-20 1.0000\n333.0 6.310E-20 1.0000\n333.5 7.110E-20 1.0000\n334.0 8.350E-20 1.0000\n334.5 8.370E-20 1.0000\n335.0 7.710E-20 1.0000\n335.5 6.550E-20 1.0000\n336.0 5.330E-20 1.0000\n336.5 4.360E-20 1.0000\n337.0 4.230E-20 1.0000\n337.5 5.130E-20 1.0000\n338.0 9.380E-20 1.0000\n338.5 1.652E-19 1.0000\n339.0 1.432E-19 1.0000\n339.5 9.960E-20 1.0000\n340.0 7.790E-20 1.0000\n340.5 8.510E-20 1.0000\n341.0 1.613E-19 1.0000\n341.5 3.152E-19 1.0000\n342.0 2.940E-19 1.0000\n342.5 1.847E-19 1.0000\n343.0 1.143E-19 1.0000\n343.5 8.290E-20 1.0000\n344.0 7.590E-20 1.0000\n344.5 8.180E-20 1.0000\n345.0 8.770E-20 1.0000\n345.5 9.100E-20 1.0000\n346.0 9.640E-20 1.0000\n346.5 8.870E-20 1.0000\n347.0 7.800E-20 1.0000\n347.5 7.060E-20 1.0000\n348.0 6.630E-20 1.0000\n348.5 6.260E-20 1.0000\n349.0 6.000E-20 1.0000\n349.5 6.470E-20 1.0000\n350.0 9.060E-20 1.0000\n350.5 1.495E-19 1.0000\n351.0 1.694E-19 1.0000\n351.5 1.407E-19 1.0000\n352.0 1.242E-19 1.0000\n352.5 1.281E-19 1.0000\n353.0 1.634E-19 1.0000\n353.5 2.849E-19 1.0000\n354.0 4.873E-19 1.0000\n354.5 4.434E-19 1.0000\n355.0 2.764E-19 1.0000\n355.5 1.640E-19 1.0000\n356.0 1.113E-19 1.0000\n356.5 9.350E-20 1.0000\n357.0 9.450E-20 1.0000\n357.5 1.008E-19 1.0000\n358.0 9.840E-20 1.0000\n358.5 9.020E-20 1.0000\n359.0 8.370E-20 1.0000\n359.5 7.670E-20 1.0000\n360.0 6.870E-20 1.0000\n360.5 6.320E-20 1.0000\n361.0 6.050E-20 1.0000\n361.5 5.950E-20 1.0000\n362.0 5.980E-20 1.0000\n362.5 6.350E-20 1.0000\n363.0 7.390E-20 1.0000\n363.5 9.220E-20 1.0000\n364.0 1.149E-19 1.0000\n364.5 1.271E-19 1.0000\n365.0 1.282E-19 1.0000\n365.5 1.319E-19 1.0000\n366.0 1.484E-19 1.0000\n366.5 1.843E-19 1.0000\n367.0 2.508E-19 1.0000\n367.5 3.518E-19 1.0000\n368.0 4.356E-19 1.0000\n368.5 4.137E-19 1.0000\n369.0 3.145E-19 1.0000\n369.5 2.172E-19 1.0000\n369.9 1.505E-19 1.0000\n370.1 9.490E-20 1.0000\n372.0 7.960E-20 1.0000\n373.0 6.300E-20 1.0000\n374.0 4.590E-20 1.0000\n375.0 3.550E-20 1.0000\n376.0 3.360E-20 1.0000\n377.0 3.660E-20 1.0000\n378.0 4.330E-20 1.0000\n379.0 5.660E-20 1.0000\n380.0 7.210E-20 1.0000\n381.0 9.130E-20 1.0000\n382.0 1.244E-19 1.0000\n383.0 1.703E-19 1.0000\n384.0 1.947E-19 1.0000\n385.0 1.609E-19 1.0000\n386.0 1.052E-19 1.0000\n387.0 6.590E-20 1.0000\n388.0 4.300E-20 1.0000\n389.0 2.810E-20 1.0000\n390.0 1.710E-20 1.0000\n391.0 9.920E-21 1.0000\n392.0 7.310E-21 1.0000\n393.0 5.970E-21 1.0000\n394.0 5.280E-21 1.0000\n395.0 4.030E-21 1.0000\n396.0 2.370E-21 1.0000\n397.0 7.100E-22 1.0000\n398.0 0.000E+00 1.0000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/HONO_IUPAC04", "content": "HONO_IUPAC04\n!HONO + HV = HO + NO\n! From IUPAC Subcommittee on Gas Kinetic Data Evaluation\n! Data Sheet PNOx1_HONO, updated 16th July 2001\n! Website: http://www.iupac-kinetic.ch.cam.ac.uk/\n! NASA JPL (2015) below 305 nm\nPoints (!These are point values)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n184.0 8.50e-19 1.000 \n186.0 9.50e-19 1.000\n188.0 1.06e-18 1.000\n190.0 1.24e-18 1.000\n192.0 1.43e-18 1.000\n194.0 1.62e-18 1.000\n196.0 1.79e-18 1.000\n198.0 1.96e-18 1.000\n200.0 2.10e-18 1.000\n202.0 2.19e-18 1.000\n204.0 2.23e-18 1.000\n205.0 2.24e-18 1.000\n206.0 2.23e-18 1.000\n208.0 2.20e-18 1.000\n210.0 2.13e-18 1.000\n212.0 2.04e-18 1.000\n214.0 1.93e-18 1.000\n216.0 1.79e-18 1.000\n218.0 1.64e-18 1.000\n220.0 1.50e-18 1.000\n222.0 1.35e-18 1.000\n224.0 1.21e-18 1.000\n226.0 1.08e-18 1.000\n228.0 9.45e-19 1.000\n230.0 8.45e-19 1.000\n232.0 7.40e-19 1.000\n234.0 6.60e-19 1.000\n236.0 5.80e-19 1.000\n238.0 5.00e-19 1.000\n240.0 4.30e-19 1.000\n242.0 3.70e-19 1.000\n244.0 3.20e-19 1.000\n246.0 2.75e-19 1.000\n248.0 2.35e-19 1.000\n250.0 2.00e-19 1.000\n252.0 1.70e-19 1.000\n254.0 1.45e-19 1.000\n256.0 1.23e-19 1.000\n258.0 1.03e-19 1.000\n260.0 8.60e-20 1.000\n262.0 7.30e-20 1.000\n264.0 6.20e-20 1.000\n266.0 5.30e-20 1.000\n268.0 4.30e-20 1.000\n270.0 3.70e-20 1.000\n272.0 3.00e-20 1.000\n274.0 2.50e-20 1.000\n296.0 3.26e-21 1.000\n297.0 5.65e-21 1.000\n298.0 5.17e-21 1.000\n299.0 4.29e-21 1.000\n300.0 6.17E-21 1.000\n305.0 0.70E-20 1.000\n310.0 1.60E-20 1.000\n315.0 2.50E-20 1.000\n320.0 4.40E-20 1.000\n325.0 5.00E-20 1.000\n330.0 9.30E-20 1.000\n335.0 6.50E-20 1.000\n340.0 1.68E-19 1.000\n345.0 9.60E-20 1.000\n350.0 1.15E-19 1.000\n355.0 2.36E-19 1.000\n360.0 8.00E-20 1.000\n365.0 1.61E-19 1.000\n370.0 2.05E-19 1.000\n375.0 4.90E-20 1.000\n380.0 9.20E-20 1.000\n385.0 1.45E-19 1.000\n390.0 2.40E-20 1.000\n395.0 0.60E-20 1.000\n400.0 0.00E-00 1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/HONO_IUPAC10", "content": "HONO_IUPAC10\n! j(HONO) IUPAC10 \n! HONO = NO + OH \n! From IUPAC Subcommittee on Gas Kinetic Data Evaluation \n! Data Sheet PNOx1, updated 16th July, 2001\n! NASA JPL (2015) below 305 nm\n!These are point values \nBegining (the mechanism evaluated with this format)\n!WL(nm) XSEC(cm2) QY\nFAC=1.0\n184.0 8.50e-19 1.000 \n186.0 9.50e-19 1.000\n188.0 1.06e-18 1.000\n190.0 1.24e-18 1.000\n192.0 1.43e-18 1.000\n194.0 1.62e-18 1.000\n196.0 1.79e-18 1.000\n198.0 1.96e-18 1.000\n200.0 2.10e-18 1.000\n202.0 2.19e-18 1.000\n204.0 2.23e-18 1.000\n205.0 2.24e-18 1.000\n206.0 2.23e-18 1.000\n208.0 2.20e-18 1.000\n210.0 2.13e-18 1.000\n212.0 2.04e-18 1.000\n214.0 1.93e-18 1.000\n216.0 1.79e-18 1.000\n218.0 1.64e-18 1.000\n220.0 1.50e-18 1.000\n222.0 1.35e-18 1.000\n224.0 1.21e-18 1.000\n226.0 1.08e-18 1.000\n228.0 9.45e-19 1.000\n230.0 8.45e-19 1.000\n232.0 7.40e-19 1.000\n234.0 6.60e-19 1.000\n236.0 5.80e-19 1.000\n238.0 5.00e-19 1.000\n240.0 4.30e-19 1.000\n242.0 3.70e-19 1.000\n244.0 3.20e-19 1.000\n246.0 2.75e-19 1.000\n248.0 2.35e-19 1.000\n250.0 2.00e-19 1.000\n252.0 1.70e-19 1.000\n254.0 1.45e-19 1.000\n256.0 1.23e-19 1.000\n258.0 1.03e-19 1.000\n260.0 8.60e-20 1.000\n262.0 7.30e-20 1.000\n264.0 6.20e-20 1.000\n266.0 5.30e-20 1.000\n268.0 4.30e-20 1.000\n270.0 3.70e-20 1.000\n272.0 3.00e-20 1.000\n274.0 2.50e-20 1.000\n296.0 3.26e-21 1.000\n297.0 5.65e-21 1.000\n298.0 5.17e-21 1.000\n299.0 4.29e-21 1.000\n300.0 6.17E-21 1.000\n305.0 7.000E-21 1.000\n310.0 1.600E-20 1.000\n315.0 2.500E-20 1.000\n320.0 4.400E-20 1.000\n325.0 5.000E-20 1.000\n330.0 9.300E-20 1.000\n335.0 6.500E-20 1.000\n340.0 1.680E-19 1.000\n345.0 9.600E-20 1.000\n350.0 1.150E-19 1.000\n355.0 2.360E-19 1.000\n360.0 8.000E-20 1.000\n365.0 1.610E-19 1.000\n370.0 2.050E-19 1.000\n375.0 4.900E-20 1.000\n380.0 9.200E-20 1.000\n385.0 1.450E-19 1.000\n390.0 2.400E-20 1.000\n395.0 6.000E-21 1.000\n396.0 0.000E+00 1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/HONO_NASA94", "content": "HONO_NASA94\n! Nitrous Acid Photolysis (HONO)\n! HONO + hv -> OH + NO \n! Taken from the original RADM data, with NASA (1994) updates\n! format: wl, abs_cs, qy\nCentered\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n 309.000 0.000E+00 1.000E+00\n 310.000 1.300E-20 1.000E+00\n 311.000 1.900E-20 1.000E+00\n 312.000 2.800E-20 1.000E+00\n 313.000 2.200E-20 1.000E+00\n 314.000 3.600E-20 1.000E+00\n 316.000 2.500E-20 1.000E+00\n 320.000 5.360E-20 1.000E+00\n 325.000 5.340E-20 1.000E+00\n 330.000 1.110E-19 1.000E+00\n 335.000 7.860E-20 1.000E+00\n 340.000 1.888E-19 1.000E+00\n 345.000 1.164E-19 1.000E+00\n 350.000 1.298E-19 1.000E+00\n 355.000 2.788E-19 1.000E+00\n 360.000 9.540E-20 1.000E+00\n 365.000 1.790E-19 1.000E+00\n 370.000 2.598E-19 1.000E+00\n 375.000 5.900E-20 1.000E+00\n 380.000 1.012E-19 1.000E+00\n 385.000 1.756E-19 1.000E+00\n 390.000 3.040E-20 1.000E+00\n 395.000 6.200E-21 1.000E+00\n 400.000 0.000E+00 1.000E+00\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/HONO_NO2_SAPRC99", "content": "HONO-NO2\n! HONO + HV = H. + NO2\n! SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\n! Created from PhotDat.xls on 29-Jan-2000 10:07\nPoints (the mechanism was evaluated assuming this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n309.0 0.000E+00 0.590\n310.0 1.300E-20 0.590\n311.0 1.900E-20 0.589\n312.0 2.800E-20 0.579\n313.0 2.200E-20 0.568\n314.0 3.600E-20 0.557\n315.0 3.000E-20 0.546\n316.0 1.400E-20 0.536\n317.0 3.100E-20 0.525\n318.0 5.600E-20 0.514\n319.0 3.600E-20 0.504\n320.0 4.900E-20 0.493\n321.0 7.800E-20 0.482\n322.0 4.900E-20 0.471\n323.0 5.100E-20 0.461\n324.0 7.100E-20 0.450\n325.0 5.000E-20 0.439\n326.0 2.900E-20 0.429\n327.0 6.600E-20 0.418\n328.0 1.170E-19 0.407\n329.0 6.100E-20 0.396\n330.0 1.110E-19 0.386\n331.0 1.790E-19 0.375\n332.0 8.700E-20 0.364\n333.0 7.600E-20 0.354\n334.0 9.600E-20 0.343\n335.0 9.600E-20 0.332\n336.0 7.200E-20 0.321\n337.0 5.300E-20 0.311\n338.0 1.000E-19 0.300\n339.0 1.880E-19 0.289\n340.0 1.000E-19 0.279\n341.0 1.700E-19 0.268\n342.0 3.860E-19 0.257\n343.0 1.490E-19 0.246\n344.0 9.700E-20 0.236\n345.0 1.090E-19 0.225\n346.0 1.230E-19 0.214\n347.0 1.040E-19 0.204\n348.0 9.100E-20 0.193\n349.0 7.900E-20 0.182\n350.0 1.120E-19 0.171\n351.0 2.120E-19 0.161\n352.0 1.550E-19 0.150\n353.0 1.910E-19 0.139\n354.0 5.810E-19 0.129\n355.0 3.640E-19 0.118\n356.0 1.410E-19 0.107\n357.0 1.170E-19 0.096\n358.0 1.200E-19 0.086\n359.0 1.040E-19 0.075\n360.0 9.000E-20 0.064\n361.0 8.300E-20 0.054\n362.0 8.000E-20 0.043\n363.0 9.600E-20 0.032\n364.0 1.460E-19 0.021\n365.0 1.680E-19 0.011\n366.0 1.830E-19 0.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/HONO_NO_SAPRC99", "content": "HONO-NO\n! HONO + HV = HO. + NO\n! SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\n! Created from PhotDat.xls on 29-Jan-2000 10:07\nPoints (the mechanism was evaluated assuming this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n309.0 0.000E+00 0.410\n310.0 1.300E-20 0.410\n311.0 1.900E-20 0.411\n312.0 2.800E-20 0.421\n313.0 2.200E-20 0.432\n314.0 3.600E-20 0.443\n315.0 3.000E-20 0.454\n316.0 1.400E-20 0.464\n317.0 3.100E-20 0.475\n318.0 5.600E-20 0.486\n319.0 3.600E-20 0.496\n320.0 4.900E-20 0.507\n321.0 7.800E-20 0.518\n322.0 4.900E-20 0.529\n323.0 5.100E-20 0.539\n324.0 7.100E-20 0.550\n325.0 5.000E-20 0.561\n326.0 2.900E-20 0.571\n327.0 6.600E-20 0.582\n328.0 1.170E-19 0.593\n329.0 6.100E-20 0.604\n330.0 1.110E-19 0.614\n331.0 1.790E-19 0.625\n332.0 8.700E-20 0.636\n333.0 7.600E-20 0.646\n334.0 9.600E-20 0.657\n335.0 9.600E-20 0.668\n336.0 7.200E-20 0.679\n337.0 5.300E-20 0.689\n338.0 1.000E-19 0.700\n339.0 1.880E-19 0.711\n340.0 1.000E-19 0.721\n341.0 1.700E-19 0.732\n342.0 3.860E-19 0.743\n343.0 1.490E-19 0.754\n344.0 9.700E-20 0.764\n345.0 1.090E-19 0.775\n346.0 1.230E-19 0.786\n347.0 1.040E-19 0.796\n348.0 9.100E-20 0.807\n349.0 7.900E-20 0.818\n350.0 1.120E-19 0.829\n351.0 2.120E-19 0.839\n352.0 1.550E-19 0.850\n353.0 1.910E-19 0.861\n354.0 5.810E-19 0.871\n355.0 3.640E-19 0.882\n356.0 1.410E-19 0.893\n357.0 1.170E-19 0.904\n358.0 1.200E-19 0.914\n359.0 1.040E-19 0.925\n360.0 9.000E-20 0.936\n361.0 8.300E-20 0.946\n362.0 8.000E-20 0.957\n363.0 9.600E-20 0.968\n364.0 1.460E-19 0.979\n365.0 1.680E-19 0.989\n366.0 1.830E-19 1.000\n367.0 3.020E-19 1.000\n368.0 5.200E-19 1.000\n369.0 3.880E-19 1.000\n370.0 1.780E-19 1.000\n371.0 1.130E-19 1.000\n372.0 1.000E-19 1.000\n373.0 7.700E-20 1.000\n374.0 6.200E-20 1.000\n375.0 5.300E-20 1.000\n376.0 5.300E-20 1.000\n377.0 5.000E-20 1.000\n378.0 5.800E-20 1.000\n379.0 8.000E-20 1.000\n380.0 9.600E-20 1.000\n381.0 1.130E-19 1.000\n382.0 1.590E-19 1.000\n383.0 2.100E-19 1.000\n384.0 2.410E-19 1.000\n385.0 2.030E-19 1.000\n386.0 1.340E-19 1.000\n387.0 9.000E-20 1.000\n388.0 5.600E-20 1.000\n389.0 3.400E-20 1.000\n390.0 2.700E-20 1.000\n391.0 2.000E-20 1.000\n392.0 1.500E-20 1.000\n393.0 1.100E-20 1.000\n394.0 6.000E-21 1.000\n395.0 1.000E-20 1.000\n396.0 4.000E-21 1.000\n400.0 0.000E+00 1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/HONO_RACM2", "content": "HONO_RACM2\n! HONO + HV = HO + NO\n! Absorption x-section from NASA - 2006 \n!\n! Supplied by Dr. Wendy Goliff, reformatted by Dr. Golam Sarwar to make it compatible with CMAQ\nPoints \n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n186.1 0.955E-18 1.000\n187.8 0.105E-17 1.000\n189.6 0.120E-17 1.000\n191.4 0.137E-17 1.000\n193.3 0.155E-17 1.000\n195.2 0.172E-17 1.000\n197.1 0.188E-17 1.000\n199.0 0.203E-17 1.000\n201.0 0.215E-17 1.000\n203.1 0.221E-17 1.000\n205.2 0.224E-17 1.000\n207.3 0.221E-17 1.000\n209.4 0.215E-17 1.000\n211.7 0.205E-17 1.000\n213.9 0.194E-17 1.000\n216.2 0.178E-17 1.000\n218.6 0.160E-17 1.000\n221.0 0.143E-17 1.000\n223.5 0.125E-17 1.000\n226.0 0.108E-17 1.000\n228.6 0.915E-18 1.000\n231.3 0.777E-18 1.000\n234.0 0.660E-18 1.000\n236.7 0.552E-18 1.000\n239.6 0.444E-18 1.000\n242.5 0.358E-18 1.000\n245.4 0.289E-18 1.000\n248.5 0.226E-18 1.000\n251.6 0.176E-18 1.000\n254.8 0.136E-18 1.000\n258.2 0.101E-18 1.000\n261.5 0.763E-19 1.000\n265.0 0.575E-19 1.000\n268.5 0.415E-19 1.000\n272.2 0.295E-19 1.000\n275.9 0.231E-19 1.000\n279.8 0.193E-19 1.000\n283.7 0.154E-19 1.000\n287.8 0.114E-19 1.000\n292.0 0.721E-20 1.000\n296.3 0.398E-20 1.000\n300.5 0.654E-20 1.000\n303.0 0.925E-20 1.000\n304.0 0.104E-19 1.000\n305.0 0.157E-19 1.000\n306.0 0.129E-19 1.000\n307.0 0.916E-20 1.000\n308.0 0.145E-19 1.000\n309.0 0.201E-19 1.000\n310.0 0.151E-19 1.000\n311.0 0.207E-19 1.000\n312.0 0.242E-19 1.000\n313.0 0.225E-19 1.000\n314.0 0.335E-19 1.000\n316.0 0.161E-19 1.000\n320.0 0.466E-19 1.000\n325.0 0.405E-19 1.000\n330.0 0.992E-19 1.000\n335.0 0.771E-19 1.000\n340.0 0.779E-19 1.000\n345.0 0.877E-19 1.000\n350.0 0.906E-19 1.000\n355.0 0.276E-18 1.000\n360.0 0.687E-19 1.000\n365.0 0.128E-18 1.000\n370.0 0.151E-18 1.000\n375.0 0.355E-19 1.000\n380.0 0.721E-19 1.000\n385.0 0.161E-18 1.000\n390.0 0.171E-19 1.000\n395.0 0.403E-20 1.000\n400.0 0.000E+00 1.000\n405.0 0.000E+00 1.000\n410.0 0.000E+00 1.000\n415.0 0.000E+00 1.000\n420.0 0.000E+00 1.000\n425.0 0.000E+00 1.000\n430.0 0.000E+00 1.000\n435.0 0.000E+00 1.000\n440.0 0.000E+00 1.000\n445.0 0.000E+00 1.000\n450.0 0.000E+00 1.000\n455.0 0.000E+00 1.000\n460.0 0.000E+00 1.000\n465.0 0.000E+00 1.000\n470.0 0.000E+00 1.000\n475.0 0.000E+00 1.000\n480.0 0.000E+00 1.000\n485.0 0.000E+00 1.000\n490.0 0.000E+00 1.000\n495.0 0.000E+00 1.000\n500.0 0.000E+00 1.000\n505.0 0.000E+00 1.000\n510.0 0.000E+00 1.000\n515.0 0.000E+00 1.000\n520.0 0.000E+00 1.000\n525.0 0.000E+00 1.000\n530.0 0.000E+00 1.000\n535.0 0.000E+00 1.000\n540.0 0.000E+00 1.000\n545.0 0.000E+00 1.000\n550.0 0.000E+00 1.000\n555.0 0.000E+00 1.000\n560.0 0.000E+00 1.000\n565.0 0.000E+00 1.000\n570.0 0.000E+00 1.000\n575.0 0.000E+00 1.000\n580.0 0.000E+00 1.000\n585.0 0.000E+00 1.000\n590.0 0.000E+00 1.000\n595.0 0.000E+00 1.000\n600.0 0.000E+00 1.000\n605.0 0.000E+00 1.000\n610.0 0.000E+00 1.000\n615.0 0.000E+00 1.000\n620.0 0.000E+00 1.000\n625.0 0.000E+00 1.000\n630.0 0.000E+00 1.000\n635.0 0.000E+00 1.000\n640.0 0.000E+00 1.000\n644.8 0.000E+00 1.000\n651.0 0.000E+00 1.000\n660.0 0.000E+00 1.000\n670.0 0.000E+00 1.000\n680.0 0.000E+00 1.000\n690.0 0.000E+00 1.000\n700.0 0.000E+00 1.000\n710.0 0.000E+00 1.000\n720.0 0.000E+00 1.000\n730.0 0.000E+00 1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/HONO_RADM88", "content": "HONO_RADM88\n! Nitrous Acid Photolysis (HONO)\n! HONO + hv -> OH + NO \n! Taken from the original RADM data\n! format: wl, abs_cs, qy\nBeginning\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n 310.500 2.500E-22 1.000E+00\n 311.500 2.025E-21 1.000E+00\n 312.500 3.975E-21 1.000E+00\n 313.500 4.500E-21 1.000E+00\n 314.500 5.258E-21 1.000E+00\n 317.500 3.935E-20 1.000E+00\n 322.500 3.934E-20 1.000E+00\n 327.500 8.513E-20 1.000E+00\n 332.500 6.312E-20 1.000E+00\n 337.500 1.692E-19 1.000E+00\n 342.500 1.139E-19 1.000E+00\n 347.500 1.071E-19 1.000E+00\n 352.500 2.583E-19 1.000E+00\n 357.500 7.305E-20 1.000E+00\n 362.500 1.838E-19 1.000E+00\n 367.500 2.062E-19 1.000E+00\n 372.500 3.707E-20 1.000E+00\n 377.500 8.246E-20 1.000E+00\n 382.500 1.459E-19 1.000E+00\n 387.500 1.421E-20 1.000E+00\n 392.500 0.000E+00 1.000E+00\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/HOP_RADM88", "content": "HOP_RADM88\n! Higher Organic Peroxides Photolysis (HOP)\n! CH3OOH? + hv -> products \n! Abs CS based on Molina and Arguello [1979];\n! QY assumed to be unity over UV absorption range\n! format: wl, abs_cs, qy\nBeginning\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n 210.526 3.495E-19 1.000E+00\n 212.766 3.144E-19 1.000E+00\n 215.054 2.786E-19 1.000E+00\n 217.391 2.419E-19 1.000E+00\n 219.780 2.120E-19 1.000E+00\n 222.222 1.919E-19 1.000E+00\n 224.719 1.714E-19 1.000E+00\n 227.273 1.505E-19 1.000E+00\n 229.885 1.328E-19 1.000E+00\n 232.558 1.190E-19 1.000E+00\n 235.294 1.049E-19 1.000E+00\n 238.095 9.074E-20 1.000E+00\n 240.964 8.070E-20 1.000E+00\n 243.902 7.178E-20 1.000E+00\n 246.914 6.263E-20 1.000E+00\n 250.000 5.484E-20 1.000E+00\n 253.165 4.843E-20 1.000E+00\n 256.410 4.185E-20 1.000E+00\n 259.740 3.612E-20 1.000E+00\n 263.158 3.161E-20 1.000E+00\n 266.667 2.699E-20 1.000E+00\n 270.270 2.288E-20 1.000E+00\n 273.973 1.912E-20 1.000E+00\n 277.778 1.541E-20 1.000E+00\n 281.690 1.278E-20 1.000E+00\n 285.714 1.033E-20 1.000E+00\n 289.855 8.365E-21 1.000E+00\n 294.118 6.981E-21 1.000E+00\n 298.500 5.702E-21 1.000E+00\n 302.500 5.080E-21 1.000E+00\n 303.500 4.840E-21 1.000E+00\n 304.500 4.600E-21 1.000E+00\n 305.500 4.360E-21 1.000E+00\n 306.500 4.120E-21 1.000E+00\n 307.500 3.880E-21 1.000E+00\n 308.500 3.640E-21 1.000E+00\n 309.500 3.411E-21 1.000E+00\n 310.500 3.250E-21 1.000E+00\n 311.500 3.100E-21 1.000E+00\n 312.500 2.950E-21 1.000E+00\n 313.500 2.800E-21 1.000E+00\n 314.500 2.500E-21 1.000E+00\n 317.500 1.944E-21 1.000E+00\n 322.500 1.500E-21 1.000E+00\n 327.500 1.119E-21 1.000E+00\n 332.500 8.500E-22 1.000E+00\n 337.500 6.187E-22 1.000E+00\n 342.500 5.000E-22 1.000E+00\n 347.500 3.875E-22 1.000E+00\n 352.500 2.000E-22 1.000E+00\n 357.500 0.000E+00 1.000E+00\n\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/HPALD", "content": "HPALD\n! HPALD total photolysis\n! Absorption cross sections based on MACR, with unity quantum yield\n! Peeters and Muller\n! PCCP, 12, 14227-14235 (2010)\nPoints (the mechanism evaluated with this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n250.0 2.070E-21 1.0000\n251.0 1.940E-21 1.0000\n252.0 1.870E-21 1.0000\n253.0 1.800E-21 1.0000\n254.0 1.780E-21 1.0000\n255.0 1.770E-21 1.0000\n256.0 1.800E-21 1.0000\n257.0 1.800E-21 1.0000\n258.0 1.860E-21 1.0000\n259.0 1.930E-21 1.0000\n260.0 2.010E-21 1.0000\n261.0 2.110E-21 1.0000\n262.0 2.240E-21 1.0000\n263.0 2.410E-21 1.0000\n264.0 2.630E-21 1.0000\n265.0 2.830E-21 1.0000\n266.0 3.050E-21 1.0000\n267.0 3.330E-21 1.0000\n268.0 3.630E-21 1.0000\n269.0 3.980E-21 1.0000\n270.0 4.360E-21 1.0000\n271.0 4.790E-21 1.0000\n272.0 5.200E-21 1.0000\n273.0 5.670E-21 1.0000\n274.0 6.160E-21 1.0000\n275.0 6.730E-21 1.0000\n276.0 7.320E-21 1.0000\n277.0 7.930E-21 1.0000\n278.0 8.630E-21 1.0000\n279.0 9.360E-21 1.0000\n280.0 1.010E-20 1.0000\n281.0 1.090E-20 1.0000\n282.0 1.180E-20 1.0000\n283.0 1.260E-20 1.0000\n284.0 1.350E-20 1.0000\n285.0 1.450E-20 1.0000\n286.0 1.560E-20 1.0000\n287.0 1.670E-20 1.0000\n288.0 1.790E-20 1.0000\n289.0 1.900E-20 1.0000\n290.0 2.030E-20 1.0000\n291.0 2.160E-20 1.0000\n292.0 2.280E-20 1.0000\n293.0 2.400E-20 1.0000\n294.0 2.520E-20 1.0000\n295.0 2.680E-20 1.0000\n296.0 2.850E-20 1.0000\n297.0 2.990E-20 1.0000\n298.0 3.130E-20 1.0000\n299.0 3.260E-20 1.0000\n300.0 3.440E-20 1.0000\n301.0 3.610E-20 1.0000\n302.0 3.760E-20 1.0000\n303.0 3.910E-20 1.0000\n304.0 4.040E-20 1.0000\n305.0 4.190E-20 1.0000\n306.0 4.400E-20 1.0000\n307.0 4.580E-20 1.0000\n308.0 4.710E-20 1.0000\n309.0 4.810E-20 1.0000\n310.0 4.920E-20 1.0000\n311.0 5.130E-20 1.0000\n312.0 5.350E-20 1.0000\n313.0 5.500E-20 1.0000\n314.0 5.610E-20 1.0000\n315.0 5.700E-20 1.0000\n316.0 5.870E-20 1.0000\n317.0 6.040E-20 1.0000\n318.0 6.190E-20 1.0000\n319.0 6.280E-20 1.0000\n320.0 6.270E-20 1.0000\n321.0 6.180E-20 1.0000\n322.0 6.210E-20 1.0000\n323.0 6.340E-20 1.0000\n324.0 6.580E-20 1.0000\n325.0 6.740E-20 1.0000\n326.0 6.730E-20 1.0000\n327.0 6.680E-20 1.0000\n328.0 6.830E-20 1.0000\n329.0 7.070E-20 1.0000\n330.0 7.150E-20 1.0000\n331.0 7.160E-20 1.0000\n332.0 7.030E-20 1.0000\n333.0 6.690E-20 1.0000\n334.0 6.410E-20 1.0000\n335.0 6.080E-20 1.0000\n336.0 5.970E-20 1.0000\n337.0 6.250E-20 1.0000\n338.0 6.380E-20 1.0000\n339.0 6.370E-20 1.0000\n340.0 6.240E-20 1.0000\n341.0 6.020E-20 1.0000\n342.0 5.980E-20 1.0000\n343.0 6.580E-20 1.0000\n344.0 6.790E-20 1.0000\n345.0 6.530E-20 1.0000\n346.0 6.110E-20 1.0000\n347.0 5.630E-20 1.0000\n348.0 5.220E-20 1.0000\n349.0 4.550E-20 1.0000\n350.0 4.160E-20 1.0000\n351.0 3.850E-20 1.0000\n352.0 3.890E-20 1.0000\n353.0 4.350E-20 1.0000\n354.0 4.310E-20 1.0000\n355.0 4.140E-20 1.0000\n356.0 3.620E-20 1.0000\n357.0 3.530E-20 1.0000\n358.0 3.460E-20 1.0000\n359.0 3.810E-20 1.0000\n360.0 5.050E-20 1.0000\n361.0 4.280E-20 1.0000\n362.0 3.610E-20 1.0000\n363.0 2.860E-20 1.0000\n364.0 2.680E-20 1.0000\n365.0 2.330E-20 1.0000\n366.0 1.920E-20 1.0000\n367.0 1.620E-20 1.0000\n368.0 1.400E-20 1.0000\n369.0 1.310E-20 1.0000\n370.0 1.420E-20 1.0000\n371.0 1.670E-20 1.0000\n372.0 1.530E-20 1.0000\n373.0 1.430E-20 1.0000\n374.0 1.080E-20 1.0000\n375.0 9.770E-21 1.0000\n376.0 1.000E-20 1.0000\n377.0 1.070E-20 1.0000\n378.0 1.350E-20 1.0000\n379.0 2.180E-20 1.0000\n380.0 1.300E-20 1.0000\n381.0 9.840E-21 1.0000\n382.0 5.550E-21 1.0000\n383.0 4.560E-21 1.0000\n384.0 3.640E-21 1.0000\n385.0 3.310E-21 1.0000\n386.0 2.460E-21 1.0000\n387.0 2.050E-21 1.0000\n388.0 1.810E-21 1.0000\n389.0 1.610E-21 1.0000\n390.0 1.470E-21 1.0000\n391.0 1.560E-21 1.0000\n392.0 1.590E-21 1.0000\n393.0 1.530E-21 1.0000\n394.0 1.490E-21 1.0000\n395.0 1.230E-21 1.0000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/HPALD_MCMv32", "content": "HPALD_MCMv32\n!Absorption cross-sections for C5 hydroperoxy-aldehydes (C5HPALD1 and C5HPALD1) formed from isoprene are \n!assumed equivalent to those of methcrolein.\n!\n!Cross-Section:\n! Methacrolein CH2C(CH3)CHO absorption cross-sections (298K)\n! Taken from: MPI_Mainz Spectral Atlas (http://www.atmosphere.mpg.de/enid/2295)\n! IUPAC 2005 Recommendation\n! http://www.iupac-kinetic.ch.cam.ac.uk\n!\n! T. Gierczak, J.B. Burkholder, R.K. Talukdar, A. Mellouki, S.B. Barone, \n! and A.R. Ravishankara: Atmospheric fate of methyl vinyl ketone and \n! methacrolein, J. Photochem. Photobiol. A: Chem. 110, 1-10 (1997)\n!\n!Quantum Yields\n! A value of QY = 1.0 is assumed over the relevant wavelength range, based on information provided \n! by Peeters and co-workers:\n! Peeters et al., HOx radical regeneration in the oxidation of isoprene: Phys. Chem. Chem. Phys., 28, 59355939 (2009).\n! \n! T = 298 K, resolution = 1 nm\n!\n!wvl(nm) XC(cm2) QY\nPoints (the mechanism evaluated with this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n250.0 2.07E-21 1.00\n251.0 1.94E-21 1.00\n252.0 1.87E-21 1.00\n253.0 1.80E-21 1.00\n254.0 1.78E-21 1.00\n255.0 1.77E-21 1.00\n256.0 1.80E-21 1.00\n257.0 1.80E-21 1.00\n258.0 1.86E-21 1.00\n259.0 1.93E-21 1.00\n260.0 2.01E-21 1.00\n261.0 2.11E-21 1.00\n262.0 2.24E-21 1.00\n263.0 2.41E-21 1.00\n264.0 2.63E-21 1.00\n265.0 2.83E-21 1.00\n266.0 3.05E-21 1.00\n267.0 3.33E-21 1.00\n268.0 3.63E-21 1.00\n269.0 3.98E-21 1.00\n270.0 4.36E-21 1.00\n271.0 4.79E-21 1.00\n272.0 5.20E-21 1.00\n273.0 5.67E-21 1.00\n274.0 6.16E-21 1.00\n275.0 6.73E-21 1.00\n276.0 7.32E-21 1.00\n277.0 7.93E-21 1.00\n278.0 8.63E-21 1.00\n279.0 9.36E-21 1.00\n280.0 1.01E-20 1.00\n281.0 1.09E-20 1.00\n282.0 1.18E-20 1.00\n283.0 1.26E-20 1.00\n284.0 1.35E-20 1.00\n285.0 1.45E-20 1.00\n286.0 1.56E-20 1.00\n287.0 1.67E-20 1.00\n288.0 1.79E-20 1.00\n289.0 1.90E-20 1.00\n290.0 2.03E-20 1.00\n291.0 2.16E-20 1.00\n292.0 2.28E-20 1.00\n293.0 2.40E-20 1.00\n294.0 2.52E-20 1.00\n295.0 2.68E-20 1.00\n296.0 2.85E-20 1.00\n297.0 2.99E-20 1.00\n298.0 3.13E-20 1.00\n299.0 3.26E-20 1.00\n300.0 3.44E-20 1.00\n301.0 3.61E-20 1.00\n302.0 3.76E-20 1.00\n303.0 3.91E-20 1.00\n304.0 4.04E-20 1.00\n305.0 4.19E-20 1.00\n306.0 4.40E-20 1.00\n307.0 4.58E-20 1.00\n308.0 4.71E-20 1.00\n309.0 4.81E-20 1.00\n310.0 4.92E-20 1.00\n311.0 5.13E-20 1.00\n312.0 5.35E-20 1.00\n313.0 5.50E-20 1.00\n314.0 5.61E-20 1.00\n315.0 5.70E-20 1.00\n316.0 5.87E-20 1.00\n317.0 6.04E-20 1.00\n318.0 6.19E-20 1.00\n319.0 6.28E-20 1.00\n320.0 6.27E-20 1.00\n321.0 6.18E-20 1.00\n322.0 6.21E-20 1.00\n323.0 6.34E-20 1.00\n324.0 6.58E-20 1.00\n325.0 6.74E-20 1.00\n326.0 6.73E-20 1.00\n327.0 6.68E-20 1.00\n328.0 6.83E-20 1.00\n329.0 7.07E-20 1.00\n330.0 7.15E-20 1.00\n331.0 7.16E-20 1.00\n332.0 7.03E-20 1.00\n333.0 6.69E-20 1.00\n334.0 6.41E-20 1.00\n335.0 6.08E-20 1.00\n336.0 5.97E-20 1.00\n337.0 6.25E-20 1.00\n338.0 6.38E-20 1.00\n339.0 6.37E-20 1.00\n340.0 6.24E-20 1.00\n341.0 6.02E-20 1.00\n342.0 5.98E-20 1.00\n343.0 6.58E-20 1.00\n344.0 6.79E-20 1.00\n345.0 6.53E-20 1.00\n346.0 6.11E-20 1.00\n347.0 5.63E-20 1.00\n348.0 5.22E-20 1.00\n349.0 4.55E-20 1.00\n350.0 4.16E-20 1.00\n351.0 3.85E-20 1.00\n352.0 3.89E-20 1.00\n353.0 4.35E-20 1.00\n354.0 4.31E-20 1.00\n355.0 4.14E-20 1.00\n356.0 3.62E-20 1.00\n357.0 3.53E-20 1.00\n358.0 3.46E-20 1.00\n359.0 3.81E-20 1.00\n360.0 5.05E-20 1.00\n361.0 4.28E-20 1.00\n362.0 3.61E-20 1.00\n363.0 2.86E-20 1.00\n364.0 2.68E-20 1.00\n365.0 2.33E-20 1.00\n366.0 1.92E-20 1.00\n367.0 1.62E-20 1.00\n368.0 1.40E-20 1.00\n369.0 1.31E-20 1.00\n370.0 1.42E-20 1.00\n371.0 1.67E-20 1.00\n372.0 1.53E-20 1.00\n373.0 1.43E-20 1.00\n374.0 1.08E-20 1.00\n375.0 9.77E-21 1.00\n376.0 1.00E-20 1.00\n377.0 1.07E-20 1.00\n378.0 1.35E-20 1.00\n379.0 2.18E-20 1.00\n380.0 1.30E-20 1.00\n381.0 9.84E-21 1.00\n382.0 5.55E-21 1.00\n383.0 4.56E-21 1.00\n384.0 3.64E-21 1.00\n385.0 3.31E-21 1.00\n386.0 2.46E-21 1.00\n387.0 2.05E-21 1.00\n388.0 1.81E-21 1.00\n389.0 1.61E-21 1.00\n390.0 1.47E-21 1.00\n391.0 1.56E-21 1.00\n392.0 1.59E-21 1.00\n393.0 1.53E-21 1.00\n394.0 1.49E-21 1.00\n395.0 1.23E-21 1.00\n\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/HPALD_RACM2", "content": "HPALD_RACM2\n! HPALD (C5 hydroperoxy-aldehydes) total photolysis\n! Absorption cross sections based on MACR, with unity quantum yield\n! Peeters and Muller (2010)\nPoints (the mechanism evaluated with this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n250.0 2.070E-21 1.0000\n251.0 1.940E-21 1.0000\n252.0 1.870E-21 1.0000\n253.0 1.800E-21 1.0000\n254.0 1.780E-21 1.0000\n255.0 1.770E-21 1.0000\n256.0 1.800E-21 1.0000\n257.0 1.800E-21 1.0000\n258.0 1.860E-21 1.0000\n259.0 1.930E-21 1.0000\n260.0 2.010E-21 1.0000\n261.0 2.110E-21 1.0000\n262.0 2.240E-21 1.0000\n263.0 2.410E-21 1.0000\n264.0 2.630E-21 1.0000\n265.0 2.830E-21 1.0000\n266.0 3.050E-21 1.0000\n267.0 3.330E-21 1.0000\n268.0 3.630E-21 1.0000\n269.0 3.980E-21 1.0000\n270.0 4.360E-21 1.0000\n271.0 4.790E-21 1.0000\n272.0 5.200E-21 1.0000\n273.0 5.670E-21 1.0000\n274.0 6.160E-21 1.0000\n275.0 6.730E-21 1.0000\n276.0 7.320E-21 1.0000\n277.0 7.930E-21 1.0000\n278.0 8.630E-21 1.0000\n279.0 9.360E-21 1.0000\n280.0 1.010E-20 1.0000\n281.0 1.090E-20 1.0000\n282.0 1.180E-20 1.0000\n283.0 1.260E-20 1.0000\n284.0 1.350E-20 1.0000\n285.0 1.450E-20 1.0000\n286.0 1.560E-20 1.0000\n287.0 1.670E-20 1.0000\n288.0 1.790E-20 1.0000\n289.0 1.900E-20 1.0000\n290.0 2.030E-20 1.0000\n291.0 2.160E-20 1.0000\n292.0 2.280E-20 1.0000\n293.0 2.400E-20 1.0000\n294.0 2.520E-20 1.0000\n295.0 2.680E-20 1.0000\n296.0 2.850E-20 1.0000\n297.0 2.990E-20 1.0000\n298.0 3.130E-20 1.0000\n299.0 3.260E-20 1.0000\n300.0 3.440E-20 1.0000\n301.0 3.610E-20 1.0000\n302.0 3.760E-20 1.0000\n303.0 3.910E-20 1.0000\n304.0 4.040E-20 1.0000\n305.0 4.190E-20 1.0000\n306.0 4.400E-20 1.0000\n307.0 4.580E-20 1.0000\n308.0 4.710E-20 1.0000\n309.0 4.810E-20 1.0000\n310.0 4.920E-20 1.0000\n311.0 5.130E-20 1.0000\n312.0 5.350E-20 1.0000\n313.0 5.500E-20 1.0000\n314.0 5.610E-20 1.0000\n315.0 5.700E-20 1.0000\n316.0 5.870E-20 1.0000\n317.0 6.040E-20 1.0000\n318.0 6.190E-20 1.0000\n319.0 6.280E-20 1.0000\n320.0 6.270E-20 1.0000\n321.0 6.180E-20 1.0000\n322.0 6.210E-20 1.0000\n323.0 6.340E-20 1.0000\n324.0 6.580E-20 1.0000\n325.0 6.740E-20 1.0000\n326.0 6.730E-20 1.0000\n327.0 6.680E-20 1.0000\n328.0 6.830E-20 1.0000\n329.0 7.070E-20 1.0000\n330.0 7.150E-20 1.0000\n331.0 7.160E-20 1.0000\n332.0 7.030E-20 1.0000\n333.0 6.690E-20 1.0000\n334.0 6.410E-20 1.0000\n335.0 6.080E-20 1.0000\n336.0 5.970E-20 1.0000\n337.0 6.250E-20 1.0000\n338.0 6.380E-20 1.0000\n339.0 6.370E-20 1.0000\n340.0 6.240E-20 1.0000\n341.0 6.020E-20 1.0000\n342.0 5.980E-20 1.0000\n343.0 6.580E-20 1.0000\n344.0 6.790E-20 1.0000\n345.0 6.530E-20 1.0000\n346.0 6.110E-20 1.0000\n347.0 5.630E-20 1.0000\n348.0 5.220E-20 1.0000\n349.0 4.550E-20 1.0000\n350.0 4.160E-20 1.0000\n351.0 3.850E-20 1.0000\n352.0 3.890E-20 1.0000\n353.0 4.350E-20 1.0000\n354.0 4.310E-20 1.0000\n355.0 4.140E-20 1.0000\n356.0 3.620E-20 1.0000\n357.0 3.530E-20 1.0000\n358.0 3.460E-20 1.0000\n359.0 3.810E-20 1.0000\n360.0 5.050E-20 1.0000\n361.0 4.280E-20 1.0000\n362.0 3.610E-20 1.0000\n363.0 2.860E-20 1.0000\n364.0 2.680E-20 1.0000\n365.0 2.330E-20 1.0000\n366.0 1.920E-20 1.0000\n367.0 1.620E-20 1.0000\n368.0 1.400E-20 1.0000\n369.0 1.310E-20 1.0000\n370.0 1.420E-20 1.0000\n371.0 1.670E-20 1.0000\n372.0 1.530E-20 1.0000\n373.0 1.430E-20 1.0000\n374.0 1.080E-20 1.0000\n375.0 9.770E-21 1.0000\n376.0 1.000E-20 1.0000\n377.0 1.070E-20 1.0000\n378.0 1.350E-20 1.0000\n379.0 2.180E-20 1.0000\n380.0 1.300E-20 1.0000\n381.0 9.840E-21 1.0000\n382.0 5.550E-21 1.0000\n383.0 4.560E-21 1.0000\n384.0 3.640E-21 1.0000\n385.0 3.310E-21 1.0000\n386.0 2.460E-21 1.0000\n387.0 2.050E-21 1.0000\n388.0 1.810E-21 1.0000\n389.0 1.610E-21 1.0000\n390.0 1.470E-21 1.0000\n391.0 1.560E-21 1.0000\n392.0 1.590E-21 1.0000\n393.0 1.530E-21 1.0000\n394.0 1.490E-21 1.0000\n395.0 1.230E-21 1.0000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/HYDRO_ACET_CRI", "content": "HYDRO_ACET_CRI\n!HACET --> CH3CO3 + HO2 + HCHO (1) \n! --> HCHO + HO2 + CO + CH3O2 combined channels (2) + (3)\n! --> OH + CH2C(O)CH3 (4) \n! Only channels (1) and (2) are significant and have equal individual qyes.\n!Cross-Section:\n! Sander, S. P., Abbatt, J., Barker, J. R., Burkholder, J. B., Friedl, R. R., \n! Golden, D. M., et al. (2011). Chemical Kinetics and Photochemical Data for \n! Use in Atmospheric Studies, Evaluation No. 17. Pasadena, CA: Jet Propulsion \n! Laboratory. \n!http://jpldataeval.jpl.nasa.gov/pdf/JPL%2010-6%20Final%2015June2011.pdf\n!\n!Quantum Yield:\n! based on \n! Orlando, J. J., G. S. Tyndall, J.-M. Fracheboud, E. G. Estupian, S. Haberkorn and A. Zimmer, 1999,\n! Atmos. Environ., 33, 1621-1629.\n!\n! Spectral dependence empirical derived with a synthetic actinic flux to give a mean quantum yield \n! between 290 and 420 nm equal approximately 0.3 and mean quantum yield between 240 and 420 nm equal\n! to approximately .5. They consistent with the error bars in Orlando et. al (1999). For troposheric\n! chemistry values under 290 nm do not have a significant contribution to the photolysis rates.\n!\n! With FAC, units are (cm^2/molecule) \nPoints \n!WV(nm) XC(cm-2) QY\nFAC=1.0 \n236.0 2.13E-20 1.000E+00\n237.0 2.29E-20 1.000E+00\n238.0 2.43E-20 1.000E+00\n239.0 2.59E-20 1.000E+00\n240.0 2.78E-20 1.000E+00\n241.0 2.94E-20 1.000E+00\n242.0 3.14E-20 1.000E+00\n243.0 3.34E-20 1.000E+00\n244.0 3.55E-20 1.000E+00\n245.0 3.74E-20 1.000E+00\n246.0 3.95E-20 1.000E+00\n247.0 4.14E-20 1.000E+00\n248.0 4.34E-20 1.000E+00\n249.0 4.56E-20 1.000E+00\n250.0 4.76E-20 1.000E+00\n251.0 4.98E-20 1.000E+00\n252.0 5.18E-20 1.000E+00\n253.0 5.36E-20 1.000E+00\n254.0 5.54E-20 1.000E+00\n255.0 5.72E-20 1.000E+00\n256.0 5.89E-20 1.000E+00\n257.0 6.06E-20 1.000E+00\n258.0 6.19E-20 1.000E+00\n259.0 6.30E-20 1.000E+00\n260.0 6.41E-20 1.000E+00\n261.0 6.50E-20 1.000E+00\n262.0 6.61E-20 1.000E+00\n263.0 6.68E-20 1.000E+00\n264.0 6.72E-20 1.000E+00\n265.0 6.74E-20 1.000E+00\n266.0 6.74E-20 1.000E+00\n267.0 6.74E-20 1.000E+00\n268.0 6.71E-20 1.000E+00\n269.0 6.67E-20 1.000E+00\n270.0 6.61E-20 1.000E+00\n271.0 6.53E-20 1.000E+00\n272.0 6.42E-20 1.000E+00\n273.0 6.30E-20 1.000E+00\n274.0 6.18E-20 1.000E+00\n275.0 6.05E-20 1.000E+00\n276.0 5.90E-20 1.000E+00\n277.0 5.73E-20 1.000E+00\n278.0 5.54E-20 1.000E+00\n279.0 5.33E-20 1.000E+00\n280.0 5.12E-20 1.000E+00\n281.0 4.91E-20 1.000E+00\n282.0 4.69E-20 1.000E+00\n283.0 4.48E-20 1.000E+00\n284.0 4.27E-20 1.000E+00\n285.0 4.05E-20 1.000E+00\n286.0 3.82E-20 1.000E+00\n287.0 3.58E-20 1.000E+00\n288.0 3.34E-20 1.000E+00\n289.0 3.11E-20 9.831E-01\n290.0 2.87E-20 9.500E-01\n291.0 2.66E-20 9.169E-01\n292.0 2.45E-20 8.839E-01\n293.0 2.26E-20 8.511E-01\n294.0 2.06E-20 8.184E-01\n295.0 1.87E-20 7.861E-01\n296.0 1.69E-20 7.542E-01\n297.0 1.52E-20 7.228E-01\n298.0 1.36E-20 6.918E-01\n299.0 1.22E-20 6.615E-01\n300.0 1.08E-20 6.318E-01\n301.0 9.61E-21 6.027E-01\n302.0 8.43E-21 5.744E-01\n303.0 7.43E-21 5.469E-01\n304.0 6.52E-21 5.202E-01\n305.0 5.69E-21 4.942E-01\n306.0 4.93E-21 4.692E-01\n307.0 4.31E-21 4.450E-01\n308.0 3.79E-21 4.217E-01\n309.0 3.31E-21 3.993E-01\n310.0 2.87E-21 3.777E-01\n311.0 2.49E-21 3.571E-01\n312.0 2.19E-21 3.373E-01\n313.0 1.92E-21 3.184E-01\n314.0 1.77E-21 3.004E-01\n315.0 1.57E-21 2.832E-01\n316.0 1.42E-21 2.668E-01\n317.0 1.33E-21 2.512E-01\n318.0 1.17E-21 2.364E-01\n319.0 1.04E-21 2.223E-01\n320.0 9.54E-22 2.090E-01\n321.0 8.67E-22 1.964E-01\n322.0 7.76E-22 1.845E-01\n323.0 7.17E-22 1.732E-01\n324.0 6.72E-22 1.625E-01\n325.0 6.29E-22 1.525E-01\n326.0 6.51E-22 1.430E-01\n327.0 5.66E-22 1.340E-01\n328.0 5.07E-22 1.256E-01\n329.0 5.09E-22 1.177E-01\n330.0 4.63E-22 1.102E-01\n331.0 4.06E-22 1.032E-01\n332.0 3.72E-22 9.660E-02\n333.0 3.58E-22 9.041E-02\n334.0 3.74E-22 8.459E-02\n335.0 3.45E-22 7.914E-02\n336.0 3.13E-22 7.402E-02\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/HYDRPMETH_BUT_10", "content": "HPALD\n! HPALD total photolysis\n! Absorption cross sections based on MACR, with unity quantum yield\n! Peeters and Muller\n! PCCP, 12, 14227-14235 (2010)\nPoints (the mechanism evaluated with this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n250.0 2.070E-21 1.0000\n251.0 1.940E-21 1.0000\n252.0 1.870E-21 1.0000\n253.0 1.800E-21 1.0000\n254.0 1.780E-21 1.0000\n255.0 1.770E-21 1.0000\n256.0 1.800E-21 1.0000\n257.0 1.800E-21 1.0000\n258.0 1.860E-21 1.0000\n259.0 1.930E-21 1.0000\n260.0 2.010E-21 1.0000\n261.0 2.110E-21 1.0000\n262.0 2.240E-21 1.0000\n263.0 2.410E-21 1.0000\n264.0 2.630E-21 1.0000\n265.0 2.830E-21 1.0000\n266.0 3.050E-21 1.0000\n267.0 3.330E-21 1.0000\n268.0 3.630E-21 1.0000\n269.0 3.980E-21 1.0000\n270.0 4.360E-21 1.0000\n271.0 4.790E-21 1.0000\n272.0 5.200E-21 1.0000\n273.0 5.670E-21 1.0000\n274.0 6.160E-21 1.0000\n275.0 6.730E-21 1.0000\n276.0 7.320E-21 1.0000\n277.0 7.930E-21 1.0000\n278.0 8.630E-21 1.0000\n279.0 9.360E-21 1.0000\n280.0 1.010E-20 1.0000\n281.0 1.090E-20 1.0000\n282.0 1.180E-20 1.0000\n283.0 1.260E-20 1.0000\n284.0 1.350E-20 1.0000\n285.0 1.450E-20 1.0000\n286.0 1.560E-20 1.0000\n287.0 1.670E-20 1.0000\n288.0 1.790E-20 1.0000\n289.0 1.900E-20 1.0000\n290.0 2.030E-20 1.0000\n291.0 2.160E-20 1.0000\n292.0 2.280E-20 1.0000\n293.0 2.400E-20 1.0000\n294.0 2.520E-20 1.0000\n295.0 2.680E-20 1.0000\n296.0 2.850E-20 1.0000\n297.0 2.990E-20 1.0000\n298.0 3.130E-20 1.0000\n299.0 3.260E-20 1.0000\n300.0 3.440E-20 1.0000\n301.0 3.610E-20 1.0000\n302.0 3.760E-20 1.0000\n303.0 3.910E-20 1.0000\n304.0 4.040E-20 1.0000\n305.0 4.190E-20 1.0000\n306.0 4.400E-20 1.0000\n307.0 4.580E-20 1.0000\n308.0 4.710E-20 1.0000\n309.0 4.810E-20 1.0000\n310.0 4.920E-20 1.0000\n311.0 5.130E-20 1.0000\n312.0 5.350E-20 1.0000\n313.0 5.500E-20 1.0000\n314.0 5.610E-20 1.0000\n315.0 5.700E-20 1.0000\n316.0 5.870E-20 1.0000\n317.0 6.040E-20 1.0000\n318.0 6.190E-20 1.0000\n319.0 6.280E-20 1.0000\n320.0 6.270E-20 1.0000\n321.0 6.180E-20 1.0000\n322.0 6.210E-20 1.0000\n323.0 6.340E-20 1.0000\n324.0 6.580E-20 1.0000\n325.0 6.740E-20 1.0000\n326.0 6.730E-20 1.0000\n327.0 6.680E-20 1.0000\n328.0 6.830E-20 1.0000\n329.0 7.070E-20 1.0000\n330.0 7.150E-20 1.0000\n331.0 7.160E-20 1.0000\n332.0 7.030E-20 1.0000\n333.0 6.690E-20 1.0000\n334.0 6.410E-20 1.0000\n335.0 6.080E-20 1.0000\n336.0 5.970E-20 1.0000\n337.0 6.250E-20 1.0000\n338.0 6.380E-20 1.0000\n339.0 6.370E-20 1.0000\n340.0 6.240E-20 1.0000\n341.0 6.020E-20 1.0000\n342.0 5.980E-20 1.0000\n343.0 6.580E-20 1.0000\n344.0 6.790E-20 1.0000\n345.0 6.530E-20 1.0000\n346.0 6.110E-20 1.0000\n347.0 5.630E-20 1.0000\n348.0 5.220E-20 1.0000\n349.0 4.550E-20 1.0000\n350.0 4.160E-20 1.0000\n351.0 3.850E-20 1.0000\n352.0 3.890E-20 1.0000\n353.0 4.350E-20 1.0000\n354.0 4.310E-20 1.0000\n355.0 4.140E-20 1.0000\n356.0 3.620E-20 1.0000\n357.0 3.530E-20 1.0000\n358.0 3.460E-20 1.0000\n359.0 3.810E-20 1.0000\n360.0 5.050E-20 1.0000\n361.0 4.280E-20 1.0000\n362.0 3.610E-20 1.0000\n363.0 2.860E-20 1.0000\n364.0 2.680E-20 1.0000\n365.0 2.330E-20 1.0000\n366.0 1.920E-20 1.0000\n367.0 1.620E-20 1.0000\n368.0 1.400E-20 1.0000\n369.0 1.310E-20 1.0000\n370.0 1.420E-20 1.0000\n371.0 1.670E-20 1.0000\n372.0 1.530E-20 1.0000\n373.0 1.430E-20 1.0000\n374.0 1.080E-20 1.0000\n375.0 9.770E-21 1.0000\n376.0 1.000E-20 1.0000\n377.0 1.070E-20 1.0000\n378.0 1.350E-20 1.0000\n379.0 2.180E-20 1.0000\n380.0 1.300E-20 1.0000\n381.0 9.840E-21 1.0000\n382.0 5.550E-21 1.0000\n383.0 4.560E-21 1.0000\n384.0 3.640E-21 1.0000\n385.0 3.310E-21 1.0000\n386.0 2.460E-21 1.0000\n387.0 2.050E-21 1.0000\n388.0 1.810E-21 1.0000\n389.0 1.610E-21 1.0000\n390.0 1.470E-21 1.0000\n391.0 1.560E-21 1.0000\n392.0 1.590E-21 1.0000\n393.0 1.530E-21 1.0000\n394.0 1.490E-21 1.0000\n395.0 1.230E-21 1.0000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/I2_IUPAC10", "content": "I2_IUPAC10\n! I2 + HV = 2*I\n! I2 Photolysis data\n! Supplied by Golam Sarwar\n! below 400 nm from JPL(2011) \n! in MPI-Mainz UV/VIS Spectral Atlas\n! http://satellite.mpic.de/spectral_atlas/cross_sections\n! at and above 400 nm\n! Created from IUPAC dataset PI7\nPoints (these data can be treated as point values)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n185.0 1.850E-17 1.000\n190.0 2.010E-17 1.000\n195.0 1.220E-17 1.000\n200.0 7.320E-18 1.000\n205.0 5.190E-18 1.000\n210.0 4.180E-18 1.000\n215.0 3.520E-18 1.000\n220.0 3.020E-18 1.000\n225.0 2.600E-18 1.000\n230.0 2.250E-18 1.000\n235.0 1.970E-18 1.000\n240.0 1.690E-18 1.000\n245.0 1.470E-18 1.000\n250.0 1.280E-18 1.000\n255.0 1.100E-18 1.000\n260.0 9.710E-19 1.000\n265.0 8.420E-19 1.000\n270.0 7.290E-19 1.000\n275.0 6.310E-19 1.000\n280.0 5.440E-19 1.000\n285.0 4.590E-19 1.000\n290.0 3.890E-19 1.000\n295.0 3.240E-19 1.000\n300.0 2.740E-19 1.000\n305.0 2.310E-19 1.000\n310.0 1.810E-19 1.000\n315.0 1.510E-19 1.000\n320.0 1.220E-19 1.000\n325.0 1.050E-19 1.000\n330.0 7.790E-20 1.000\n335.0 6.180E-20 1.000\n340.0 4.710E-20 1.000\n345.0 4.080E-20 1.000\n350.0 2.580E-20 1.000\n355.0 1.940E-20 1.000\n360.0 1.240E-20 1.000\n365.0 1.020E-20 1.000\n370.0 6.590E-21 1.000\n375.0 8.230E-21 1.000\n380.0 1.140E-20 1.000\n385.0 1.010E-20 1.000\n390.0 9.250E-21 1.000\n395.0 1.110E-20 1.000\n400.0 2.900E-20 1.000\n405.0 3.800E-20 1.000\n410.0 4.300E-20 1.000\n415.0 5.300E-20 1.000\n420.0 5.800E-20 1.000\n425.0 8.100E-20 1.000\n430.0 1.330E-19 1.000\n435.0 1.530E-19 1.000\n440.0 1.990E-19 1.000\n445.0 2.530E-19 1.000\n450.0 3.270E-19 1.000\n455.0 4.320E-19 1.000\n460.0 5.600E-19 1.000\n465.0 7.090E-19 1.000\n470.0 8.800E-19 1.000\n475.0 1.070E-18 1.000\n480.0 1.290E-18 1.000\n485.0 1.520E-18 1.000\n490.0 1.750E-18 1.000\n495.0 2.000E-18 1.000\n500.0 2.240E-18 1.000\n505.0 2.450E-18 1.000\n510.0 2.620E-18 1.000\n515.0 2.760E-18 1.000\n520.0 2.780E-18 1.000\n525.0 2.850E-18 1.000\n530.0 2.820E-18 1.000\n535.0 2.750E-18 1.000\n540.0 2.600E-18 1.000\n545.0 2.410E-18 1.000\n550.0 2.250E-18 1.000\n555.0 2.020E-18 1.000\n560.0 1.740E-18 1.000\n565.0 1.540E-18 1.000\n570.0 1.280E-18 1.000\n575.0 9.550E-19 1.000\n580.0 9.120E-19 1.000\n585.0 7.290E-19 1.000\n590.0 6.440E-19 1.000\n595.0 5.880E-19 1.000\n600.0 4.660E-19 1.000\n605.0 4.220E-19 1.000\n610.0 4.000E-19 1.000\n615.0 3.360E-19 1.000\n620.0 3.000E-19 1.000\n625.0 2.760E-19 1.000\n630.0 2.740E-19 1.000\n635.0 2.220E-19 1.000\n640.0 2.330E-19 1.000\n645.0 2.220E-19 1.000\n650.0 2.120E-19 1.000\n655.0 2.030E-19 1.000\n660.0 1.860E-19 1.000\n665.0 1.700E-19 1.000\n670.0 1.740E-19 1.000\n675.0 1.560E-19 1.000\n680.0 1.460E-19 1.000\n685.0 1.370E-19 1.000\n690.0 1.260E-19 1.000\n695.0 1.060E-19 1.000\n700.0 1.010E-19 1.000\n705.0 7.400E-20 1.000\n710.0 6.300E-20 1.000\n715.0 5.900E-20 1.000\n720.0 5.400E-20 1.000\n725.0 3.100E-20 1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/IBR_IUPAC10", "content": "IBR_IUPAC10\n! IBR + HV = I + BR\n! IBR Photolysis data (QY assumed)\n! Supplied by Golam Sarwar \n! Created from IUPAC dataset\nPoints (these data can be treated as point values)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n220.0\t3.590E-20 1.000\n230.0\t5.700E-20 1.000\t\n240.0\t1.021E-19 1.000\t\n250.0\t1.671E-19 1.000\t\n260.0\t2.145E-19 1.000\t\n270.0\t2.309E-19 1.000\t\n280.0\t2.110E-19 1.000\t\n290.0\t1.682E-19 1.000\t\n300.0\t1.243E-19 1.000\t\n310.0\t7.950E-20 1.000\t\n320.0\t5.390E-20 1.000\t\n330.0\t3.360E-20 1.000\t\n340.0\t2.140E-20 1.000\t\n350.0\t1.450E-20 1.000\t\n360.0\t1.530E-20 1.000\t\n370.0\t2.370E-20 1.000\t\n380.0\t4.170E-20 1.000\t\n390.0\t6.960E-20 1.000\t\n400.0\t1.200E-19 1.000\t\n410.0\t2.046E-19 1.000\t\t\n420.0\t3.173E-19 1.000\n430.0\t4.477E-19 1.000\n440.0\t5.869E-19 1.000\n450.0\t7.192E-19 1.000\n460.0\t8.518E-19 1.000\n470.0\t9.849E-19 1.000\n480.0\t1.111E-18 1.000\n490.0\t1.198E-18 1.000\n500.0\t1.216E-18 1.000\n510.0\t1.159E-18 1.000\n520.0\t1.030E-18 1.000\n530.0\t8.583E-19 1.000\n540.0\t6.752E-19 1.000\n550.0\t5.234E-19 1.000\n560.0\t3.663E-19 1.000\n570.0\t2.722E-19 1.000\n580.0\t1.988E-19 1.000\n590.0\t1.457E-19 1.000\n600.0\t1.132E-19 1.000" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/IC3ONO2", "content": "IC3ONO2 \n! ! I-C3H7ONO2 + HV = PRODUCTS \n! IUPAC (1997). Recommend assuming unit quantum yields. \n! This has stronger absorption than n-C3-ONO2 and lower nitrates, \n! but chosen as representative of lumped higher nitrates. \n! wl abs \nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n185.0 1.790E-17 1.0000\n188.0 1.810E-17 1.0000\n190.0 1.790E-17 1.0000\n195.0 1.610E-17 1.0000\n200.0 1.260E-17 1.0000\n205.0 8.670E-18 1.0000\n210.0 4.980E-18 1.0000\n215.0 2.470E-18 1.0000\n220.0 1.170E-18 1.0000\n225.0 5.800E-19 1.0000\n230.0 3.100E-19 1.0000\n235.0 1.800E-19 1.0000\n240.0 1.100E-19 1.0000\n245.0 7.000E-20 1.0000\n250.0 5.700E-20 1.0000\n255.0 5.200E-20 1.0000\n260.0 4.900E-20 1.0000\n265.0 4.600E-20 1.0000\n270.0 4.100E-20 1.0000\n275.0 3.600E-20 1.0000\n280.0 2.900E-20 1.0000\n285.0 2.300E-20 1.0000\n290.0 1.700E-20 1.0000\n295.0 1.200E-20 1.0000\n300.0 8.100E-21 1.0000\n305.0 5.200E-21 1.0000\n310.0 3.200E-21 1.0000\n315.0 1.900E-21 1.0000\n320.0 1.100E-21 1.0000\n325.0 6.100E-22 1.0000\n330.0 3.700E-22 1.0000\n335.0 0.000E+00 1.0000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/IC3ONO2_SAPRC99", "content": "IC3ONO2\n! I-C3H7ONO2 + HV = PRODUCTS\n! SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\n! Created from PhotDat.xls on 29-Jan-2000 10:07\nPoints (the mechanism was evaluated assuming this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n185.0 1.790E-17 1.000\n188.0 1.810E-17 1.000\n190.0 1.790E-17 1.000\n195.0 1.610E-17 1.000\n200.0 1.260E-17 1.000\n205.0 8.670E-18 1.000\n210.0 4.980E-18 1.000\n215.0 2.470E-18 1.000\n220.0 1.170E-18 1.000\n225.0 5.800E-19 1.000\n230.0 3.100E-19 1.000\n235.0 1.800E-19 1.000\n240.0 1.100E-19 1.000\n245.0 7.000E-20 1.000\n250.0 5.700E-20 1.000\n255.0 5.200E-20 1.000\n260.0 4.900E-20 1.000\n265.0 4.600E-20 1.000\n270.0 4.100E-20 1.000\n275.0 3.600E-20 1.000\n280.0 2.900E-20 1.000\n285.0 2.300E-20 1.000\n290.0 1.700E-20 1.000\n295.0 1.200E-20 1.000\n300.0 8.100E-21 1.000\n305.0 5.200E-21 1.000\n310.0 3.200E-21 1.000\n315.0 1.900E-21 1.000\n320.0 1.100E-21 1.000\n325.0 6.100E-22 1.000\n330.0 3.700E-22 1.000\n335.0 0.000E+00 1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/ICL_IUPAC10", "content": "ICL_IUPAC10\n! ICL + HV = I + CL\n! ICL Photolysis data (QY assumed)\n! Supplied by Golam Sarwar \n! Created from IUPAC dataset\nPoints (these data can be treated as point values)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n220.0 2.130E-19 1.000\n230.0 3.540E-19 1.000\n240.0 4.400E-19 1.000\n250.0 4.330E-19 1.000\n260.0 3.530E-19 1.000\n270.0 2.440E-19 1.000\n280.0 1.540E-19 1.000\n290.0 9.410E-20 1.000\n300.0 6.080E-20 1.000\n310.0 4.590E-20 1.000\n320.0 4.010E-20 1.000\n330.0 3.670E-20 1.000\n340.0 3.290E-20 1.000\n350.0 3.100E-20 1.000\n360.0 3.520E-20 1.000\n370.0 5.310E-20 1.000\n380.0 8.790E-20 1.000\n390.0 1.390E-19 1.000\n400.0 1.900E-19 1.000\n410.0 2.470E-19 1.000\n420.0 2.890E-19 1.000\n430.0 3.210E-19 1.000\n440.0 3.540E-19 1.000\n450.0 3.890E-19 1.000\n460.0 4.170E-19 1.000\n470.0 4.260E-19 1.000\n480.0 4.090E-19 1.000\n490.0 3.630E-19 1.000\n500.0 2.940E-19 1.000\n510.0 2.280E-19 1.000\n520.0 1.640E-19 1.000\n530.0 1.150E-19 1.000\n540.0 8.000E-20 1.000\n550.0 5.700E-20 1.000\n560.0 4.320E-20 1.000\n570.0 3.440E-20 1.000\n580.0 2.830E-20 1.000\n590.0 2.100E-20 1.000\n600.0 1.760E-20 1.000" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/IMONIT_RACM2", "content": "IMONIT_RACM2\n! IMONIT + hv = HKET + NO2: j(Pj_imonit) ;\n! j(Pj_onitoh1) ~ MCM n-propyl nitrate (n-C3H7ONO2) : J<53>, \n! divided by 3 at mech.def file: Browne et al. 2014: divided by 3 due to the hydroxy group (Robert & Fajer 1989)\n! Absorption x-section taken from IUPAC recommended \n! Quantum Yield (φ) = 1.00 IUPAC recommended\n! Made by Azimeh Zare Jul2016\n!Absorption cross-sections at 298 K\nPoints (the mechanism evaluated with this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1\n185.0 1.810E-17 1.000\n190.0 1.800E-17 1.000\n195.0 1.600E-17 1.000\n200.0 1.260E-17 1.000\n205.0 0.855E-17 1.000\n210.0 0.489E-17 1.000\n215.0 0.244E-17 1.000\n220.0 0.105E-17 1.000\n225.0 0.050E-17 1.000\n230.0 0.027E-17 1.000\n235.0 0.015E-17 1.000\n240.0 8.900E-20 1.000\n245.0 6.000E-20 1.000\n250.0 4.800E-20 1.000\n255.0 4.400E-20 1.000\n260.0 4.000E-20 1.000\n265.0 3.600E-20 1.000\n270.0 3.200E-20 1.000\n275.0 2.800E-20 1.000\n280.0 2.300E-20 1.000\n285.0 1.800E-20 1.000\n290.0 1.300E-20 1.000\n295.0 0.950E-20 1.000\n300.0 0.570E-20 1.000\n305.0 0.340E-20 1.000\n310.0 0.190E-20 1.000\n315.0 0.100E-20 1.000\n320.0 0.053E-20 1.000\n325.0 0.031E-20 1.000\n330.0 0.022E-20 1.000\n335.0 0.018E-20 1.000\n340.0 0.016E-20 1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/INO2_06", "content": "INO2_06\n! INO2 + HV = I + NO2\n! INO2 Photolysis data (QY assumed)\n! Supplied by Golam Sarwar \n! Created from NASA/JPL dataset\nPoints (these data can be treated as point values)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n210.0 2.360E-18 1.000\n215.0 1.870E-18 1.000\n220.0 1.960E-18 1.000\n225.0 2.790E-18 1.000\n230.0 3.470E-18 1.000\n235.0 3.990E-18 1.000\n240.0 4.220E-18 1.000\n245.0 4.000E-18 1.000\n250.0 3.300E-18 1.000\n255.0 2.340E-18 1.000\n260.0 1.620E-18 1.000\n265.0 9.960E-19 1.000\n270.0 8.710E-19 1.000\n275.0 8.980E-19 1.000\n280.0 9.960E-19 1.000\n285.0 9.220E-19 1.000\n290.0 8.100E-19 1.000\n295.0 6.200E-19 1.000\n300.0 3.730E-19 1.000\n305.0 3.080E-19 1.000\n310.0 2.470E-19 1.000\n315.0 2.510E-19 1.000\n320.0 2.750E-19 1.000\n325.0 3.250E-19 1.000\n330.0 3.120E-19 1.000\n335.0 3.490E-19 1.000\n340.0 3.730E-19 1.000\n345.0 3.730E-19 1.000\n350.0 2.980E-19 1.000\n355.0 2.950E-19 1.000\n360.0 2.710E-19 1.000\n365.0 2.070E-19 1.000\n370.0 1.490E-19 1.000\n375.0 7.400E-20 1.000\n380.0 2.400E-20 1.000" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/INO_06", "content": "INO_06\n! INO + HV = I + NO\n! INO Photolysis data\n! Supplied by Golam Sarwar \n! Created from NASA/JPL dataset \nPoints (these data can be treated as point values)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n223.0 2.250E-18 1.000\n230.0 1.690E-17 1.000\n235.0 5.640E-17 1.000\n238.0 6.850E-17 1.000\n245.0 6.000E-17 1.000\n251.0 4.880E-17 1.000\n260.0 2.270E-17 1.000\n270.0 1.040E-17 1.000\n280.0 5.000E-18 1.000\n290.0 1.870E-18 1.000\n300.0 9.200E-19 1.000\n310.0 4.100E-19 1.000\n360.0 4.500E-19 1.000\n370.0 5.900E-19 1.000\n380.0 6.500E-19 1.000\n390.0 7.800E-19 1.000\n400.0 9.200E-19 1.000\n410.0 1.100E-18 1.000\n420.0 1.000E-18 1.000\n430.0 9.400E-19 1.000\n440.0 8.000E-19 1.000\n450.0 6.000E-19 1.000\n460.0 4.000E-19 1.000" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/IONO2_06", "content": "IONO2_06\n! IONO2 + HV = I + NO3\n! IONO2 Photolysis data (QY based on Sherwen et al., ACP 2016)\n! Supplied by Golam Sarwar, QY reduced to 0.210 following Sherwen et al., ACP 2016\n! Created from NASA/JPL dataset (JPL Publication 10-6)\nPoints (these data can be treated as point values)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n245.0 1.210E-17 0.210\n250.0 1.170E-17 0.210\n255.0 1.060E-17 0.210\n260.0 9.460E-18 0.210\n265.0 8.800E-18 0.210\n270.0 7.970E-18 0.210\n275.0 7.720E-18 0.210\n280.0 7.410E-18 0.210\n285.0 6.910E-18 0.210\n290.0 6.310E-18 0.210\n295.0 5.770E-18 0.210\n300.0 5.250E-18 0.210\n305.0 4.950E-18 0.210\n310.0 4.620E-18 0.210\n315.0 4.410E-18 0.210\n320.0 4.040E-18 0.210\n325.0 3.960E-18 0.210\n330.0 3.800E-18 0.210\n335.0 3.740E-18 0.210\n340.0 3.600E-18 0.210\n345.0 3.480E-18 0.210\n350.0 3.340E-18 0.210\n355.0 3.160E-18 0.210\n360.0 2.940E-18 0.210\n365.0 2.700E-18 0.210\n370.0 2.420E-18 0.210\n375.0 2.130E-18 0.210\n380.0 1.840E-18 0.210\n385.0 1.530E-18 0.210\n390.0 1.300E-18 0.210\n395.0 1.030E-18 0.210\n400.0 7.800E-19 0.210\n405.0 6.050E-19 0.210\n410.0 4.960E-19 0.210\n415.0 4.160E-19 0.210\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/IO_IUPAC10", "content": "IO_IUPAC10\n! IO + HV = I + O\n! IO Photolysis data\n! Supplied by Golam Sarwar \n! Created from IUPAC dataset PI3\nPoints (these data can be treated as point values)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n345.0 7.800E-19 1.000\n350.0 1.000E-18 1.000\n355.0 1.360E-18 1.000\n360.0 1.850E-18 1.000\n365.0 2.250E-18 1.000\n370.0 2.990E-18 1.000\n375.0 3.570E-18 1.000\n380.0 4.420E-18 1.000\n385.0 4.630E-18 1.000\n390.0 5.650E-18 1.000\n395.0 6.550E-18 1.000\n400.0 6.407E-18 1.000\n405.0 7.090E-18 1.000\n410.0 7.530E-18 1.000\n415.0 5.180E-18 1.000\n420.0 9.040E-18 1.000\n425.0 4.170E-18 1.000\n430.0 6.110E-18 1.000\n435.0 6.920E-18 1.000\n440.0 1.610E-18 1.000\n445.0 4.940E-18 1.000\n450.0 1.020E-18 1.000\n455.0 2.360E-18 1.000\n460.0 9.000E-19 1.000\n465.0 3.900E-19 1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/IPROCHO_MCMv32", "content": "IPRCHO_MCMv32\n!i-C3H7CHO (i-butyraldehyde, 2-methylpropanal) photolysis cross-sections\n!Absorption Cross-Section:\n! From MPI-Mainz-UV-VIS Spectral Atlas\n! Reference: \n! R. D. Martinez, A. A. Buitrago, N. W. Howell, C. H. Hearn, and \n! J. A. Joens, Atmos. Env. 26A, 785 (1992)\n!Quantum Yield are three point running average based on \n! Y. Chen, L. Zhu and J. S. Francisco, Wavelength-Dependent Photolysis of \n! n-Butyraldehyde and i-Butyraldehyde in the 280-330 nm Region., J. Phys. \n! Chem., 106, 7755 (2002)\n! \n!wl,nm XC,cm^2 QY QY,observed\nPoints (the mechanism evaluated with this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n202.0 9.29E-21 0.000 0.000\n206.0 4.55E-21 0.000 0.000\n210.0 2.27E-21 0.000 0.000\n214.0 1.63E-21 0.000 0.000\n218.0 1.09E-21 0.000 0.000\n222.0 6.20E-22 0.000 0.000\n226.0 7.00E-22 0.000 0.000\n230.0 1.05E-21 0.000 0.000\n234.0 1.66E-21 0.000 0.000\n238.0 2.61E-21 0.000 0.000\n242.0 4.02E-21 0.000 0.000\n246.0 6.01E-21 0.000 0.000\n250.0 8.73E-21 0.000 0.000\n254.0 1.22E-20 0.000 0.000\n258.0 1.66E-20 0.000 0.000\n262.0 2.19E-20 0.000 0.000\n266.0 2.76E-20 0.000 0.000\n270.0 3.40E-20 0.000 0.000\n274.0 4.00E-20 0.000 0.000\n278.0 4.63E-20 0.103 0.000\n280.0 4.90E-20 0.207 0.310\n281.0 5.02E-20 0.310 0.310\n282.0 5.08E-20 0.310 0.310\n283.0 5.17E-20 0.310 0.310\n284.0 5.29E-20 0.373 0.310\n285.0 5.42E-20 0.437 0.500\n286.0 5.57E-20 0.500 0.500\n287.0 5.66E-20 0.500 0.500\n288.0 5.69E-20 0.500 0.500\n289.0 5.75E-20 0.570 0.500\n290.0 5.78E-20 0.640 0.710\n291.0 5.75E-20 0.710 0.710\n292.0 5.76E-20 0.710 0.710\n293.0 5.79E-20 0.710 0.710\n294.0 5.83E-20 0.777 0.710\n295.0 5.88E-20 0.843 0.910\n296.0 5.86E-20 0.910 0.910\n297.0 5.75E-20 0.910 0.910\n298.0 5.68E-20 0.910 0.910\n299.0 5.64E-20 0.940 0.910\n300.0 5.55E-20 0.970 1.000\n301.0 5.42E-20 1.000 1.000\n302.0 5.37E-20 1.000 1.000\n303.0 5.31E-20 1.000 1.000\n304.0 5.24E-20 0.973 1.000\n305.0 5.17E-20 0.947 0.920\n306.0 5.00E-20 0.920 0.920\n307.0 4.73E-20 0.920 0.920\n308.0 4.52E-20 0.920 0.920\n309.0 4.38E-20 0.947 0.920\n310.0 4.25E-20 0.973 1.000\n311.0 4.08E-20 1.000 1.000\n312.0 3.93E-20 1.000 1.000\n313.0 3.82E-20 1.000 1.000\n314.0 3.68E-20 1.000 1.000\n315.0 3.55E-20 1.000 1.000\n316.0 3.41E-20 1.000 1.000\n317.0 3.14E-20 1.000 1.000\n318.0 2.79E-20 1.000 1.000\n319.0 2.55E-20 1.000 1.000\n320.0 2.38E-20 1.000 1.000\n321.0 2.24E-20 1.000 1.000\n322.0 2.09E-20 1.000 1.000\n323.0 1.93E-20 1.000 1.000\n324.0 1.81E-20 1.000 1.000\n325.0 1.69E-20 1.000 1.000\n326.0 1.56E-20 1.000 1.000\n327.0 1.46E-20 1.000 1.000\n328.0 1.34E-20 1.000 1.000\n329.0 1.15E-20 0.980 1.000\n330.0 9.18E-21 0.960 0.940\n331.0 7.60E-21 0.940 0.940\n332.0 6.61E-21 0.940 0.940\n333.0 5.79E-21 0.940 0.940\n334.0 5.10E-21 0.940 0.940\n335.0 4.45E-21 0.940 0.940\n336.0 3.73E-21 0.940 0.940\n337.0 3.17E-21 0.940 0.940\n338.0 2.79E-21 0.940 0.940\n339.0 2.38E-21 0.940 0.940\n340.0 1.87E-21 0.940 0.940\n341.0 1.65E-21 0.940 0.940\n342.0 1.38E-21 0.940 0.940\n343.0 7.70E-22 0.940 0.940\n344.0 4.70E-22 0.940 0.940\n345.0 3.40E-22 0.940 0.940\n346.0 2.50E-22 0.940 0.940\n347.0 1.90E-22 0.940 0.940\n348.0 1.50E-22 0.940 0.940\n349.0 1.30E-22 0.940 0.940\n350.0 1.10E-22 0.940 0.940\n351.0 1.00E-22 0.940 0.940\n352.0 9.00E-23 0.940 0.940\n353.0 8.00E-23 0.940 0.940\n354.0 5.00E-23 0.940 0.940\n355.0 4.00E-23 0.940 0.940\n356.0 3.00E-23 0.940 0.940\n357.0 1.00E-23 0.940 0.940\n358.0 1.00E-23 0.940 0.940\n359.0 1.00E-23 0.627 0.940\n360.0 0.00E+00 0.313 0.000\n361.0 0.00E+00 0.000 0.000\n362.0 0.00E+00 0.000 0.000\n363.0 0.00E+00 0.000 0.000\n364.0 0.00E+00 0.000 0.000\n365.0 0.00E+00 0.000 0.000\n\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/IPRONO3_MCMv32", "content": "IPRONO3_MCMv32\n!2-propyl nitrate T dependent cross-sections ((CH3)2CHONO2)\n!\n!Taken from the MPI-Mainz Spectral Atlas:\n!http://www.atmosphere.mpg.de/enid/2295\n!\n!From IUPAC 2005 recommendation\n!http://iupac.pole-ether.fr/htdocs/datasheets/pdf//P17_i-C3H7ONO2+hv.pdf\n!\n!Taken from:\n!1. J. M. Roberts and R. W. Fajer, Environ. Sci. Technol. 23, 945 (1989).\n!2. M. P. Turberg, D. M. Giolando, C. Tilt, T. Soper, S. Mason, M. Davies, P. Klingensmith,\n!and G. A. Takacs, J. Photochem. Photobiol. A51, 281 (1990).\n!3. K. C. Clemitshaw, J. Williams, O. V. Rattigan, D. E. Shallcross, K. S. Law, and R. A.\n!Cox, J. Photochem. Photobiol. A: Chemistry 102, 117 (1997).\n!4. R. K. Talukdar, J. B. Burkholder, M. Hunter, M. K. Giles, J. M. Roberts, and A. R.\n!Ravishankara, J. Chem. Soc. Faraday Trans. 93, 2797 (1997).\n!\n!Quantum Yield\n!\n!There are no data on either the products of photodissociation or the quantum yields. \n!However, the quantum yields for photodissociation of both ethyl and methyl nitrate to form \n!NO2 have been shown to be unity at 308 nm and 248 nm, see IUPAC datasheets for these RONO2 species\n!\n!Equation: ln (sigma (T)) - ln (sigma (298 K)) = B(T-(298))\n!\n!wavelength (nm) sigma (298K) qy B(K-1)\nPoints (the mechanism evaluated with this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n185.0 1.79E-17 1.000 -0.009\n188.0 1.81E-17 1.000 -0.009\n190.0 1.79E-17 1.000 -0.009\n195.0 1.61E-17 1.000 -0.009\n200.0 1.26E-17 1.000 -0.009\n205.0 8.67E-18 1.000 -0.009\n210.0 4.98E-18 1.000 -0.009\n215.0 2.47E-18 1.000 -0.009\n220.0 1.25E-18 1.000 -0.009\n225.0 6.20E-19 1.000 -0.009\n230.0 3.40E-19 1.000 -0.009\n235.0 1.80E-19 1.000 -0.009\n240.0 1.10E-19 1.000 0.0028\n245.0 7.00E-20 1.000 0.0027\n250.0 5.40E-20 1.000 0.0025\n255.0 4.90E-20 1.000 0.0025\n260.0 4.60E-20 1.000 0.0026\n265.0 4.30E-20 1.000 0.0028\n270.0 3.90E-20 1.000 0.0031\n275.0 3.40E-20 1.000 0.0033\n280.0 2.80E-20 1.000 0.0036\n285.0 2.20E-20 1.000 0.004\n290.0 1.60E-20 1.000 0.0044\n295.0 1.20E-20 1.000 0.0048\n300.0 7.80E-21 1.000 0.0054\n305.0 5.00E-21 1.000 0.0061\n310.0 2.90E-21 1.000 0.0069\n315.0 1.70E-21 1.000 0.0081\n320.0 8.50E-22 1.000 0.0094\n325.0 4.40E-22 1.000 0.0111\n330.0 2.20E-22 1.000 0.0119\n335.0 1.10E-22 1.000 0.014\n340.0 5.30E-23 1.000 0.0139\n345.0 1.80E-23 1.000 -0.009\n350.0 8.00E-24 1.000 -0.009\n355.0 2.90E-24 1.000 -0.009\n360.0 1.80E-24 1.000 -0.009\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/ISOPNB_RACM2", "content": "ISOPNB_RACM2\n! ISOPNB + hv = ISOP + NO2: j(Pj_sopnb) ;\n! j(Pj_onitoh3) ~ MCMv3.3.1 tert-butyl nitrate (t-C4H9ONO2) : J<55>, FAC=0.333\n! Absorption x-section taken from Roberts and Fajer (1989) \n! Quantum Yield (φ) = 1.00 \n! Made by Azimeh Zare Jul2016\n! at mech.def file: cross sections should be divided by 3 due to the hydroxy group\n!(Browne et al., 2014 and Robeerts and Fajer (1989))\n!Absorption cross-sections at 298 K\nPoints\n! With FAC, units are (cm^2/molecule)\nFAC=1\n270.0 4.300E-20 1.000\n275.0 4.000E-20 1.000\n280.0 3.700E-20 1.000\n285.0 3.100E-20 1.000\n290.0 2.600E-20 1.000\n295.0 2.000E-20 1.000\n300.0 1.500E-20 1.000\n305.0 1.000E-20 1.000\n310.0 7.000E-21 1.000\n315.0 4.500E-21 1.000\n320.0 2.700E-21 1.000\n325.0 1.500E-21 1.000\n330.0 8.600E-22 1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/ISOPND_RACM2", "content": "ISOPND_RACM2\n! ISOPND + hv = ISOP + NO2: j(Pj_isopnd) ;\n! j(Pj_onit1) ~ MCM n-propyl nitrate (n-C3H7ONO2) : J<53>\n! Absorption x-section taken from IUPAC recommended \n! Quantum Yield (φ) = 1.00 IUPAC recommended\n! Made by Azimeh Zare Jul2016\n!Absorption cross-sections at 298 K\nPoints\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n185.0 1.810E-17 1.000\n190.0 1.800E-17 1.000\n195.0 1.600E-17 1.000\n200.0 1.260E-17 1.000\n205.0 0.855E-17 1.000\n210.0 0.489E-17 1.000\n215.0 0.244E-17 1.000\n220.0 0.105E-17 1.000\n225.0 0.050E-17 1.000\n230.0 0.027E-17 1.000\n235.0 0.015E-17 1.000\n240.0 8.900E-20 1.000\n245.0 6.000E-20 1.000\n250.0 4.800E-20 1.000\n255.0 4.400E-20 1.000\n260.0 4.000E-20 1.000\n265.0 3.600E-20 1.000\n270.0 3.200E-20 1.000\n275.0 2.800E-20 1.000\n280.0 2.300E-20 1.000\n285.0 1.800E-20 1.000\n290.0 1.300E-20 1.000\n295.0 0.950E-20 1.000\n300.0 0.570E-20 1.000\n305.0 0.340E-20 1.000\n310.0 0.190E-20 1.000\n315.0 0.100E-20 1.000\n320.0 0.053E-20 1.000\n325.0 0.031E-20 1.000\n330.0 0.022E-20 1.000\n335.0 0.018E-20 1.000\n340.0 0.016E-20 1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/ISPD", "content": "ISPD \n! ISPD photolysis = average of IUPAC MACR and MVK\n! Supplied by Greg Yarwood from CAMx (July 17, 2013) \n! 1st column is wavelength \n! 2nd column is absorption cross-section and 3rd column is QY\nPoints (assumed)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n280.0 1.170E-20 0.05\n281.0 1.250E-20 0.05\n282.0 1.340E-20 0.05\n283.0 1.430E-20 0.05\n284.0 1.525E-20 0.05\n285.0 1.630E-20 0.05\n286.0 1.735E-20 0.05\n287.0 1.850E-20 0.05\n288.0 1.970E-20 0.05\n289.0 2.095E-20 0.05\n290.0 2.230E-20 0.05\n291.0 2.355E-20 0.05\n292.0 2.475E-20 0.05\n293.0 2.605E-20 0.05\n294.0 2.725E-20 0.05\n295.0 2.880E-20 0.05\n296.0 3.045E-20 0.05\n297.0 3.190E-20 0.05\n298.0 3.345E-20 0.05\n299.0 3.480E-20 0.05\n300.0 3.655E-20 0.05\n301.0 3.825E-20 0.05\n302.0 3.980E-20 0.05\n303.0 4.130E-20 0.05\n304.0 4.275E-20 0.05\n305.0 4.425E-20 0.05\n306.0 4.610E-20 0.05\n307.0 4.770E-20 0.05\n308.0 4.920E-20 0.05\n309.0 5.055E-20 0.05\n310.0 5.180E-20 0.05\n311.0 5.355E-20 0.05\n312.0 5.540E-20 0.05\n313.0 5.685E-20 0.05\n314.0 5.815E-20 0.05\n315.0 5.920E-20 0.05\n316.0 6.075E-20 0.05\n317.0 6.230E-20 0.05\n318.0 6.365E-20 0.05\n319.0 6.455E-20 0.05\n320.0 6.485E-20 0.05\n321.0 6.470E-20 0.05\n322.0 6.520E-20 0.05\n323.0 6.595E-20 0.05\n324.0 6.730E-20 0.05\n325.0 6.845E-20 0.05\n326.0 6.875E-20 0.05\n327.0 6.885E-20 0.05\n328.0 6.995E-20 0.05\n329.0 7.150E-20 0.05\n330.0 7.215E-20 0.05\n331.0 7.230E-20 0.05\n332.0 7.145E-20 0.05\n333.0 6.935E-20 0.05\n334.0 6.725E-20 0.05\n335.0 6.510E-20 0.05\n336.0 6.410E-20 0.05\n337.0 6.475E-20 0.05\n338.0 6.470E-20 0.05\n339.0 6.420E-20 0.05\n340.0 6.340E-20 0.05\n341.0 6.220E-20 0.05\n342.0 6.165E-20 0.05\n343.0 6.465E-20 0.05\n344.0 6.545E-20 0.05\n345.0 6.380E-20 0.05\n346.0 6.125E-20 0.05\n347.0 5.855E-20 0.05\n348.0 5.495E-20 0.05\n349.0 5.010E-20 0.05\n350.0 4.680E-20 0.05\n351.0 4.395E-20 0.05\n352.0 4.305E-20 0.05\n353.0 4.440E-20 0.05\n354.0 4.315E-20 0.05\n355.0 4.145E-20 0.05\n356.0 3.825E-20 0.05\n357.0 3.735E-20 0.05\n358.0 3.675E-20 0.05\n359.0 3.850E-20 0.05\n360.0 4.365E-20 0.05\n361.0 3.940E-20 0.05\n362.0 3.550E-20 0.05\n363.0 3.110E-20 0.05\n364.0 2.985E-20 0.05\n365.0 2.680E-20 0.05\n366.0 2.345E-20 0.05\n367.0 2.060E-20 0.05\n368.0 1.800E-20 0.05\n369.0 1.660E-20 0.05\n370.0 1.650E-20 0.05\n371.0 1.705E-20 0.05\n372.0 1.555E-20 0.05\n373.0 1.455E-20 0.05\n374.0 1.235E-20 0.05\n375.0 1.144E-20 0.05\n376.0 1.130E-20 0.05\n377.0 1.155E-20 0.05\n378.0 1.275E-20 0.05\n379.0 1.690E-20 0.05\n380.0 1.175E-20 0.05\n381.0 9.825E-21 0.05\n382.0 7.335E-21 0.05\n383.0 6.670E-21 0.05\n384.0 6.465E-21 0.05\n385.0 5.440E-21 0.05\n386.0 4.415E-21 0.05\n387.0 3.695E-21 0.05\n388.0 3.140E-21 0.05\n389.0 2.785E-21 0.05\n390.0 2.455E-21 0.05\n391.0 2.330E-21 0.05\n392.0 2.260E-21 0.05\n393.0 2.140E-21 0.05\n394.0 1.950E-21 0.05\n395.0 1.650E-21 0.05\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/KETONE_RADM88", "content": "KETONE_RADM88\n! Methyl Ethyl Ketone (KETONE)\n! CH3COC2H5 + hv -> ACO3 + ETH \n! Abs CS from Calvert and Pitts [1966];\n! QY from Gardner et al. [1984]\n! format: wl, abs_cs, qy\nBeginning\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n 277.778 6.000E-20 7.655E-02\n 281.690 5.800E-20 7.655E-02\n 285.714 5.500E-20 7.655E-02\n 289.855 5.100E-20 7.655E-02\n 294.118 4.100E-20 7.655E-02\n 298.500 3.200E-20 7.655E-02\n 302.500 3.000E-20 7.655E-02\n 303.500 2.800E-20 7.655E-02\n 304.500 2.500E-20 7.655E-02\n 305.500 2.300E-20 7.655E-02\n 306.500 2.100E-20 7.655E-02\n 307.500 1.900E-20 7.655E-02\n 308.500 1.700E-20 7.655E-02\n 309.500 1.500E-20 7.655E-02\n 310.500 1.400E-20 7.655E-02\n 311.500 1.200E-20 7.655E-02\n 312.500 1.100E-20 7.655E-02\n 313.500 1.000E-20 7.655E-02\n 314.500 7.800E-21 7.655E-02\n 317.500 3.900E-21 7.655E-02\n 322.500 1.800E-21 7.655E-02\n 327.500 0.000E+00 7.655E-02\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/KETONE_SAPRC99", "content": "KETONE\n! Methyl Ethyl Ketone Absorption Cross Sections\n! SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\n! Created from PhotDat.xls on 29-Jan-2000 10:07\nPoints (the mechanism was evaluated assuming this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n198.5 3.950E-19 1.000\n199.0 1.610E-19 1.000\n199.5 7.750E-20 1.000\n200.0 3.760E-20 1.000\n200.5 2.510E-20 1.000\n201.0 1.830E-20 1.000\n201.5 1.360E-20 1.000\n202.0 1.160E-20 1.000\n202.5 8.970E-21 1.000\n203.0 4.620E-21 1.000\n203.5 3.180E-21 1.000\n204.0 2.420E-21 1.000\n204.5 2.010E-21 1.000\n205.0 1.770E-21 1.000\n205.5 1.640E-21 1.000\n206.0 1.540E-21 1.000\n206.5 1.520E-21 1.000\n207.0 1.540E-21 1.000\n207.5 1.620E-21 1.000\n208.0 1.640E-21 1.000\n208.5 1.600E-21 1.000\n209.0 1.570E-21 1.000\n209.5 1.490E-21 1.000\n210.0 1.470E-21 1.000\n210.5 1.520E-21 1.000\n211.0 1.500E-21 1.000\n211.5 1.620E-21 1.000\n212.0 1.810E-21 1.000\n212.5 2.100E-21 1.000\n213.0 2.230E-21 1.000\n213.5 2.060E-21 1.000\n214.0 1.690E-21 1.000\n214.5 1.490E-21 1.000\n215.0 1.420E-21 1.000\n215.5 1.420E-21 1.000\n216.0 1.420E-21 1.000\n216.5 1.480E-21 1.000\n217.0 1.480E-21 1.000\n217.5 1.530E-21 1.000\n218.0 1.560E-21 1.000\n218.5 1.670E-21 1.000\n219.0 1.680E-21 1.000\n219.5 1.780E-21 1.000\n220.0 1.850E-21 1.000\n220.5 1.920E-21 1.000\n221.0 2.010E-21 1.000\n221.5 2.110E-21 1.000\n222.0 2.230E-21 1.000\n222.5 2.330E-21 1.000\n223.0 2.480E-21 1.000\n223.5 2.600E-21 1.000\n224.0 2.740E-21 1.000\n224.5 2.850E-21 1.000\n225.0 3.040E-21 1.000\n225.5 3.150E-21 1.000\n226.0 3.330E-21 1.000\n226.5 3.550E-21 1.000\n227.0 3.730E-21 1.000\n227.5 3.930E-21 1.000\n228.0 4.110E-21 1.000\n228.5 4.340E-21 1.000\n229.0 4.560E-21 1.000\n229.5 4.750E-21 1.000\n230.0 5.010E-21 1.000\n230.5 5.270E-21 1.000\n231.0 5.530E-21 1.000\n231.5 5.830E-21 1.000\n232.0 6.150E-21 1.000\n232.5 6.450E-21 1.000\n233.0 6.730E-21 1.000\n233.5 7.020E-21 1.000\n234.0 7.420E-21 1.000\n234.5 7.830E-21 1.000\n235.0 8.110E-21 1.000\n235.5 8.450E-21 1.000\n236.0 8.820E-21 1.000\n236.5 9.210E-21 1.000\n237.0 9.650E-21 1.000\n237.5 1.000E-20 1.000\n238.0 1.050E-20 1.000\n238.5 1.100E-20 1.000\n239.0 1.150E-20 1.000\n239.5 1.200E-20 1.000\n240.0 1.230E-20 1.000\n240.5 1.280E-20 1.000\n241.0 1.320E-20 1.000\n241.5 1.380E-20 1.000\n242.0 1.440E-20 1.000\n242.5 1.500E-20 1.000\n243.0 1.570E-20 1.000\n243.5 1.630E-20 1.000\n244.0 1.680E-20 1.000\n244.5 1.750E-20 1.000\n245.0 1.810E-20 1.000\n245.5 1.880E-20 1.000\n246.0 1.960E-20 1.000\n246.5 2.030E-20 1.000\n247.0 2.110E-20 1.000\n247.5 2.190E-20 1.000\n248.0 2.250E-20 1.000\n248.5 2.330E-20 1.000\n249.0 2.400E-20 1.000\n249.5 2.480E-20 1.000\n250.0 2.560E-20 1.000\n250.5 2.640E-20 1.000\n251.0 2.730E-20 1.000\n251.5 2.810E-20 1.000\n252.0 2.880E-20 1.000\n252.5 2.980E-20 1.000\n253.0 3.070E-20 1.000\n253.5 3.160E-20 1.000\n254.0 3.250E-20 1.000\n254.5 3.340E-20 1.000\n255.0 3.430E-20 1.000\n255.5 3.510E-20 1.000\n256.0 3.590E-20 1.000\n256.5 3.670E-20 1.000\n257.0 3.750E-20 1.000\n257.5 3.840E-20 1.000\n258.0 3.940E-20 1.000\n258.5 4.030E-20 1.000\n259.0 4.130E-20 1.000\n259.5 4.220E-20 1.000\n260.0 4.280E-20 1.000\n260.5 4.330E-20 1.000\n261.0 4.410E-20 1.000\n261.5 4.490E-20 1.000\n262.0 4.570E-20 1.000\n262.5 4.650E-20 1.000\n263.0 4.720E-20 1.000\n263.5 4.780E-20 1.000\n264.0 4.850E-20 1.000\n264.5 4.920E-20 1.000\n265.0 4.990E-20 1.000\n265.5 5.040E-20 1.000\n266.0 5.120E-20 1.000\n266.5 5.220E-20 1.000\n267.0 5.280E-20 1.000\n267.5 5.340E-20 1.000\n268.0 5.410E-20 1.000\n268.5 5.460E-20 1.000\n269.0 5.510E-20 1.000\n269.5 5.550E-20 1.000\n270.0 5.590E-20 1.000\n270.5 5.630E-20 1.000\n271.0 5.660E-20 1.000\n271.5 5.700E-20 1.000\n272.0 5.740E-20 1.000\n272.5 5.780E-20 1.000\n273.0 5.810E-20 1.000\n273.5 5.860E-20 1.000\n274.0 5.900E-20 1.000\n274.5 5.930E-20 1.000\n275.0 5.960E-20 1.000\n275.5 5.970E-20 1.000\n276.0 5.980E-20 1.000\n276.5 5.980E-20 1.000\n277.0 5.990E-20 1.000\n277.5 5.990E-20 1.000\n278.0 5.980E-20 1.000\n278.5 5.960E-20 1.000\n279.0 5.960E-20 1.000\n279.5 5.950E-20 1.000\n280.0 5.940E-20 1.000\n280.5 5.920E-20 1.000\n281.0 5.900E-20 1.000\n281.5 5.880E-20 1.000\n282.0 5.860E-20 1.000\n282.5 5.830E-20 1.000\n283.0 5.790E-20 1.000\n283.5 5.750E-20 1.000\n284.0 5.710E-20 1.000\n284.5 5.670E-20 1.000\n285.0 5.610E-20 1.000\n285.5 5.560E-20 1.000\n286.0 5.510E-20 1.000\n286.5 5.450E-20 1.000\n287.0 5.410E-20 1.000\n287.5 5.370E-20 1.000\n288.0 5.330E-20 1.000\n288.5 5.270E-20 1.000\n289.0 5.210E-20 1.000\n289.5 5.150E-20 1.000\n290.0 5.080E-20 1.000\n290.5 4.990E-20 1.000\n291.0 4.890E-20 1.000\n291.5 4.820E-20 1.000\n292.0 4.730E-20 1.000\n292.5 4.620E-20 1.000\n293.0 4.530E-20 1.000\n293.5 4.410E-20 1.000\n294.0 4.320E-20 1.000\n294.5 4.230E-20 1.000\n295.0 4.150E-20 1.000\n295.5 4.110E-20 1.000\n296.0 4.010E-20 1.000\n296.5 3.940E-20 1.000\n297.0 3.880E-20 1.000\n297.5 3.770E-20 1.000\n298.0 3.690E-20 1.000\n298.5 3.630E-20 1.000\n299.0 3.540E-20 1.000\n299.5 3.460E-20 1.000\n300.0 3.360E-20 1.000\n300.5 3.240E-20 1.000\n301.0 3.160E-20 1.000\n301.5 3.060E-20 1.000\n302.0 2.950E-20 1.000\n302.5 2.820E-20 1.000\n303.0 2.700E-20 1.000\n303.5 2.590E-20 1.000\n304.0 2.490E-20 1.000\n304.5 2.420E-20 1.000\n305.0 2.340E-20 1.000\n305.5 2.280E-20 1.000\n306.0 2.190E-20 1.000\n306.5 2.110E-20 1.000\n307.0 2.040E-20 1.000\n307.5 1.930E-20 1.000\n308.0 1.880E-20 1.000\n308.5 1.800E-20 1.000\n309.0 1.730E-20 1.000\n309.5 1.660E-20 1.000\n310.0 1.580E-20 1.000\n310.5 1.480E-20 1.000\n311.0 1.420E-20 1.000\n311.5 1.340E-20 1.000\n312.0 1.260E-20 1.000\n312.5 1.170E-20 1.000\n313.0 1.130E-20 1.000\n313.5 1.080E-20 1.000\n314.0 1.040E-20 1.000\n314.5 9.690E-21 1.000\n315.0 8.910E-21 1.000\n315.5 8.610E-21 1.000\n316.0 7.880E-21 1.000\n316.5 7.250E-21 1.000\n317.0 6.920E-21 1.000\n317.5 6.430E-21 1.000\n318.0 6.070E-21 1.000\n318.5 5.640E-21 1.000\n319.0 5.190E-21 1.000\n319.5 4.660E-21 1.000\n320.0 4.360E-21 1.000\n320.5 3.950E-21 1.000\n321.0 3.640E-21 1.000\n321.5 3.380E-21 1.000\n322.0 3.170E-21 1.000\n322.5 2.800E-21 1.000\n323.0 2.620E-21 1.000\n323.5 2.290E-21 1.000\n324.0 2.130E-21 1.000\n324.5 1.930E-21 1.000\n325.0 1.700E-21 1.000\n325.5 1.580E-21 1.000\n326.0 1.480E-21 1.000\n326.5 1.240E-21 1.000\n327.0 1.200E-21 1.000\n327.5 1.040E-21 1.000\n328.0 9.510E-22 1.000\n328.5 8.440E-22 1.000\n329.0 7.260E-22 1.000\n329.5 6.700E-22 1.000\n330.0 6.080E-22 1.000\n330.5 5.150E-22 1.000\n331.0 4.560E-22 1.000\n331.5 4.130E-22 1.000\n332.0 3.560E-22 1.000\n332.5 3.300E-22 1.000\n333.0 2.970E-22 1.000\n333.5 2.670E-22 1.000\n334.0 2.460E-22 1.000\n334.5 2.210E-22 1.000\n335.0 1.930E-22 1.000\n335.5 1.560E-22 1.000\n336.0 1.470E-22 1.000\n336.5 1.370E-22 1.000\n337.0 1.270E-22 1.000\n337.5 1.190E-22 1.000\n338.0 1.090E-22 1.000\n338.5 1.010E-22 1.000\n339.0 9.090E-23 1.000\n339.5 8.220E-23 1.000\n340.0 7.660E-23 1.000\n340.5 7.430E-23 1.000\n341.0 6.830E-23 1.000\n341.5 6.720E-23 1.000\n342.0 6.040E-23 1.000\n342.5 4.780E-23 1.000\n343.0 0.000E+00 1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/KET_IUPAC10", "content": "KET_IUPAC10\n! j(KET) IUPAC(2010) CH3COC2H5 \n! KET = products \n! From IUPAC Subcommittee on Gas Kinetic Data Evaluation \n! Data Sheet P8, updated 5th Dec, 2005 \n! Use quantum yield from ACET \n!These are point values \nBegining (the mechanism evaluated with this format)\n!WL(nm) XSEC(cm2) QY\nFAC=1.0\n280.0 5.740E-20 0.600\n281.0 5.720E-20 0.582\n282.0 5.680E-20 0.563\n283.0 5.620E-20 0.544\n284.0 5.540E-20 0.526\n285.0 5.440E-20 0.507\n286.0 5.350E-20 0.489\n287.0 5.260E-20 0.471\n288.0 5.170E-20 0.453\n289.0 5.060E-20 0.436\n290.0 4.940E-20 0.419\n291.0 4.780E-20 0.402\n292.0 4.600E-20 0.385\n293.0 4.420E-20 0.370\n294.0 4.240E-20 0.354\n295.0 4.080E-20 0.339\n296.0 3.930E-20 0.324\n297.0 3.790E-20 0.310\n298.0 3.650E-20 0.296\n299.0 3.480E-20 0.283\n300.0 3.300E-20 0.270\n301.0 3.100E-20 0.258\n302.0 2.890E-20 0.246\n303.0 2.690E-20 0.224\n304.0 2.500E-20 0.195\n305.0 2.330E-20 0.170\n306.0 2.170E-20 0.147\n307.0 2.020E-20 0.127\n308.0 1.880E-20 0.111\n309.0 1.730E-20 0.096\n310.0 1.580E-20 0.084\n311.0 1.420E-20 0.073\n312.0 1.280E-20 0.064\n313.0 1.140E-20 0.056\n314.0 1.010E-20 0.050\n315.0 8.960E-21 0.044\n316.0 7.940E-21 0.039\n317.0 6.970E-21 0.035\n318.0 6.110E-21 0.031\n319.0 5.310E-21 0.028\n320.0 4.570E-21 0.025\n321.0 3.890E-21 0.023\n322.0 3.280E-21 0.021\n323.0 2.760E-21 0.019\n324.0 2.290E-21 0.017\n325.0 1.890E-21 0.016\n326.0 1.560E-21 0.014\n327.0 1.290E-21 0.013\n328.0 1.050E-21 0.012\n329.0 8.500E-22 0.011\n330.0 6.700E-22 0.010\n331.0 5.400E-22 0.009\n332.0 4.200E-22 0.009\n333.0 3.300E-22 0.008\n334.0 2.500E-22 0.007\n335.0 2.000E-22 0.007\n336.0 1.400E-22 0.006\n337.0 1.100E-22 0.006\n338.0 8.000E-23 0.005\n339.0 7.000E-23 0.005\n340.0 5.000E-23 0.005\n341.0 5.000E-23 0.004\n342.0 3.000E-23 0.004\n343.0 3.000E-23 0.004\n344.0 2.000E-23 0.004\n345.0 1.000E-23 0.003\n346.0 1.000E-23 0.003\n347.0 0.000E+00 0.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/KET_JGR19", "content": "KET_JGR19\n! KET = 1.5*ETHP + 0.5*ACO3 + 0.5*CO \n! Absorption x-section composition of three ketobe from Brewer et al., 2019 \n! Brewer,J.F. Papanastasiou,D.K.,Burkholder,J.B.,Fischer,E.V.,Ren,Y.,Mellouki,A.,Ravishankara,A.R.(2019).\n! Atmospheric photolysis of methyl ethyl, diethyl, and propyl ethylketones: Temperature-dependent \n! UV absorption cross sections. Journal of Geophysical Research: Atmospheres,124, 5906-5918. \n! https://doi.org/10.1029/2019JD030391\n! Quantum yield from Raben and Moortgat, 1996 \n! 1) W.H. Raben, G.K. Moortgat, in: J. Baker (Ed.), Progress and Problems in Atmospheric Chemistry,\n! World Scientific, Singapore, 1996, pp. 318-373\n! 2) IUPAC datasheet P8 (5th December 2005)\n! Supplied by Drs. William Stockwell and Emily Saunders, reformatted by Dr. Golam Sarwar to make it compatible with CMAQ\nPoints \n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n200\t1.06E-19\t0.34\n201\t8.77E-20\t0.34\n202\t3.38E-20\t0.34\n203\t1.00E-20\t0.34\n204\t4.43E-21\t0.34\n205\t2.54E-21\t0.34\n206\t1.46E-21\t0.34\n207\t1.01E-21\t0.34\n208\t8.96E-22\t0.34\n209\t8.53E-22\t0.34\n210\t8.44E-22\t0.34\n211\t8.57E-22\t0.34\n212\t8.78E-22\t0.34\n213\t9.05E-22\t0.34\n214\t9.45E-22\t0.34\n215\t1.01E-21\t0.34\n216\t1.06E-21\t0.34\n217\t1.12E-21\t0.34\n218\t1.20E-21\t0.34\n219\t1.29E-21\t0.34\n220\t1.40E-21\t0.34\n221\t1.52E-21\t0.34\n222\t1.68E-21\t0.34\n223\t1.83E-21\t0.34\n224\t2.02E-21\t0.34\n225\t2.23E-21\t0.34\n226\t2.47E-21\t0.34\n227\t2.74E-21\t0.34\n228\t3.04E-21\t0.34\n229\t3.38E-21\t0.34\n230\t3.76E-21\t0.34\n231\t4.17E-21\t0.34\n232\t4.63E-21\t0.34\n233\t5.14E-21\t0.34\n234\t5.69E-21\t0.34\n235\t6.30E-21\t0.34\n236\t6.97E-21\t0.34\n237\t7.68E-21\t0.34\n238\t8.46E-21\t0.34\n239\t9.31E-21\t0.34\n240\t1.02E-20\t0.34\n241\t1.12E-20\t0.34\n242\t1.22E-20\t0.34\n243\t1.33E-20\t0.34\n244\t1.45E-20\t0.34\n245\t1.58E-20\t0.34\n246\t1.71E-20\t0.34\n247\t1.84E-20\t0.34\n248\t1.98E-20\t0.34\n249\t2.13E-20\t0.34\n250\t2.29E-20\t0.34\n251\t2.46E-20\t0.34\n252\t2.62E-20\t0.34\n253\t2.79E-20\t0.34\n254\t2.96E-20\t0.34\n255\t3.14E-20\t0.34\n256\t3.33E-20\t0.34\n257\t3.52E-20\t0.34\n258\t3.71E-20\t0.34\n259\t3.89E-20\t0.34\n260\t4.07E-20\t0.34\n261\t4.25E-20\t0.34\n262\t4.43E-20\t0.34\n263\t4.62E-20\t0.34\n264\t4.81E-20\t0.34\n265\t4.98E-20\t0.34\n266\t5.14E-20\t0.34\n267\t5.29E-20\t0.34\n268\t5.43E-20\t0.34\n269\t5.57E-20\t0.34\n270\t5.71E-20\t0.34\n271\t5.84E-20\t0.34\n272\t5.95E-20\t0.34\n273\t6.05E-20\t0.34\n274\t6.12E-20\t0.34\n275\t6.19E-20\t0.34\n276\t6.26E-20\t0.34\n277\t6.31E-20\t0.34\n278\t6.34E-20\t0.34\n279\t6.34E-20\t0.34\n280\t6.33E-20\t0.34\n281\t6.31E-20\t0.34\n282\t6.28E-20\t0.34\n283\t6.25E-20\t0.34\n284\t6.21E-20\t0.34\n285\t6.15E-20\t0.34\n286\t6.05E-20\t0.34\n287\t5.93E-20\t0.34\n288\t5.78E-20\t0.34\n289\t5.63E-20\t0.34\n290\t5.49E-20\t0.34\n291\t5.37E-20\t0.34\n292\t5.24E-20\t0.34\n293\t5.10E-20\t0.34\n294\t4.93E-20\t0.34\n295\t4.72E-20\t0.34\n296\t4.49E-20\t0.34\n297\t4.25E-20\t0.34\n298\t4.03E-20\t0.34\n299\t3.83E-20\t0.34\n300\t3.65E-20\t0.34\n301\t3.47E-20\t0.34\n302\t3.30E-20\t0.34\n303\t3.10E-20\t0.34\n304\t2.88E-20\t0.34\n305\t2.65E-20\t0.34\n306\t2.41E-20\t0.34\n307\t2.19E-20\t0.34\n308\t1.99E-20\t0.34\n309\t1.81E-20\t0.34\n310\t1.65E-20\t0.34\n311\t1.51E-20\t0.34\n312\t1.38E-20\t0.34\n313\t1.24E-20\t0.34\n314\t1.11E-20\t0.34\n315\t9.70E-21\t0.34\n316\t8.38E-21\t0.34\n317\t7.17E-21\t0.34\n318\t6.09E-21\t0.34\n319\t5.16E-21\t0.34\n320\t4.37E-21\t0.34\n321\t3.68E-21\t0.34\n322\t3.08E-21\t0.34\n323\t2.56E-21\t0.34\n324\t2.13E-21\t0.34\n325\t1.76E-21\t0.34\n326\t1.44E-21\t0.34\n327\t1.18E-21\t0.34\n328\t9.62E-22\t0.34\n329\t7.85E-22\t0.34\n330\t6.31E-22\t0.34\n331\t5.13E-22\t0.34\n332\t4.13E-22\t0.34\n333\t3.33E-22\t0.34\n334\t2.70E-22\t0.34\n335\t2.20E-22\t0.34\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/KET_RACM2", "content": "KET_RACM2\n! KET = ETHP + ACO3 \n! Absorption x-section from Yujing and Mellouki, 2000 \n! Quantum yield from Raben and Moortgat, 1996 \n! Supplied by Dr. Wendy Goliff, reformatted by Dr. Golam Sarwar to make it compatible with CMAQ\nPoints \n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n186.1 0.000E+00 1.000\n187.8 0.000E+00 1.000\n189.6 0.000E+00 1.000\n191.4 0.000E+00 1.000\n193.3 0.000E+00 1.000\n195.2 0.000E+00 1.000\n197.1 0.000E+00 1.000\n199.0 0.000E+00 1.000\n201.0 0.000E+00 1.000\n203.1 0.000E+00 1.000\n205.2 0.000E+00 1.000\n207.3 0.000E+00 1.000\n209.4 0.000E+00 1.000\n211.7 0.000E+00 1.000\n213.9 0.000E+00 1.000\n216.2 0.000E+00 1.000\n218.6 0.000E+00 1.000\n221.0 0.000E+00 1.000\n223.5 0.000E+00 1.000\n226.0 0.000E+00 1.000\n228.6 0.000E+00 1.000\n231.3 0.000E+00 1.000\n234.0 0.000E+00 1.000\n236.7 0.000E+00 1.000\n239.6 0.113E-19 1.000\n242.5 0.144E-19 1.000\n245.4 0.179E-19 1.000\n248.5 0.221E-19 1.000\n251.6 0.265E-19 1.000\n254.8 0.320E-19 1.000\n258.2 0.367E-19 1.000\n261.5 0.422E-19 1.000\n265.0 0.465E-19 1.000\n268.5 0.511E-19 1.000\n272.2 0.533E-19 1.000\n275.9 0.561E-19 1.000\n279.8 0.562E-19 1.000\n283.7 0.544E-19 1.000\n287.8 0.507E-19 1.000\n292.0 0.457E-19 1.000\n296.3 0.389E-19 1.000\n300.5 0.318E-19 1.000\n303.0 0.269E-19 1.000\n304.0 0.250E-19 1.000\n305.0 0.232E-19 1.000\n306.0 0.217E-19 1.000\n307.0 0.202E-19 1.000\n308.0 0.182E-19 1.000\n309.0 0.173E-19 1.000\n310.0 0.158E-19 1.000\n311.0 0.143E-19 1.000\n312.0 0.128E-19 1.000\n313.0 0.114E-19 1.000\n314.0 0.101E-19 1.000\n316.0 0.790E-20 1.000\n320.0 0.439E-20 1.000\n325.0 0.176E-20 1.000\n330.0 0.610E-21 1.000\n335.0 0.160E-21 1.000\n340.0 0.000E+00 1.000\n345.0 0.000E+00 1.000\n350.0 0.000E+00 1.000\n355.0 0.000E+00 1.000\n360.0 0.000E+00 1.000\n365.0 0.000E+00 1.000\n370.0 0.000E+00 1.000\n375.0 0.000E+00 1.000\n380.0 0.000E+00 1.000\n385.0 0.000E+00 1.000\n390.0 0.000E+00 1.000\n395.0 0.000E+00 1.000\n400.0 0.000E+00 1.000\n405.0 0.000E+00 1.000\n410.0 0.000E+00 1.000\n415.0 0.000E+00 1.000\n420.0 0.000E+00 1.000\n425.0 0.000E+00 1.000\n430.0 0.000E+00 1.000\n435.0 0.000E+00 1.000\n440.0 0.000E+00 1.000\n445.0 0.000E+00 1.000\n450.0 0.000E+00 1.000\n455.0 0.000E+00 1.000\n460.0 0.000E+00 1.000\n465.0 0.000E+00 1.000\n470.0 0.000E+00 1.000\n475.0 0.000E+00 1.000\n480.0 0.000E+00 1.000\n485.0 0.000E+00 1.000\n490.0 0.000E+00 1.000\n495.0 0.000E+00 1.000\n500.0 0.000E+00 1.000\n505.0 0.000E+00 1.000\n510.0 0.000E+00 1.000\n515.0 0.000E+00 1.000\n520.0 0.000E+00 1.000\n525.0 0.000E+00 1.000\n530.0 0.000E+00 1.000\n535.0 0.000E+00 1.000\n540.0 0.000E+00 1.000\n545.0 0.000E+00 1.000\n550.0 0.000E+00 1.000\n555.0 0.000E+00 1.000\n560.0 0.000E+00 1.000\n565.0 0.000E+00 1.000\n570.0 0.000E+00 1.000\n575.0 0.000E+00 1.000\n580.0 0.000E+00 1.000\n585.0 0.000E+00 1.000\n590.0 0.000E+00 1.000\n595.0 0.000E+00 1.000\n600.0 0.000E+00 1.000\n605.0 0.000E+00 1.000\n610.0 0.000E+00 1.000\n615.0 0.000E+00 1.000\n620.0 0.000E+00 1.000\n625.0 0.000E+00 1.000\n630.0 0.000E+00 1.000\n635.0 0.000E+00 1.000\n640.0 0.000E+00 1.000\n644.8 0.000E+00 1.000\n651.0 0.000E+00 1.000\n660.0 0.000E+00 1.000\n670.0 0.000E+00 1.000\n680.0 0.000E+00 1.000\n690.0 0.000E+00 1.000\n700.0 0.000E+00 1.000\n710.0 0.000E+00 1.000\n720.0 0.000E+00 1.000\n730.0 0.000E+00 1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/MACR-06", "content": "MACR-06 \n! Methacrolein total photolysis \n! Absorption cross sections from IUPAC Subcommittee on Gas Kinetic Data Evaluatio\n! Website: http://www.iupac-kinetic.ch.cam.ac.uk/. This datasheet updated: 16th M\n! The quantum yields were derived using the pressure and wavelength-dependent \n! expression given by IUPAC (2005) for MVK, with the total pressure adjusted so \n! that the radical forming photolysis rates for the chamber experiments are the \n! same as those that fit the chamber data. \n! \nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n250.0 2.070E-21 0.5670\n251.0 1.940E-21 0.5370\n252.0 1.870E-21 0.5080\n253.0 1.800E-21 0.4810\n254.0 1.780E-21 0.4550\n255.0 1.770E-21 0.4310\n256.0 1.800E-21 0.4080\n257.0 1.800E-21 0.3860\n258.0 1.860E-21 0.3650\n259.0 1.930E-21 0.3460\n260.0 2.010E-21 0.3270\n261.0 2.110E-21 0.3100\n262.0 2.240E-21 0.2930\n263.0 2.410E-21 0.2780\n264.0 2.630E-21 0.2630\n265.0 2.830E-21 0.2490\n266.0 3.050E-21 0.2350\n267.0 3.330E-21 0.2230\n268.0 3.630E-21 0.2110\n269.0 3.980E-21 0.2000\n270.0 4.360E-21 0.1890\n271.0 4.790E-21 0.1790\n272.0 5.200E-21 0.1690\n273.0 5.670E-21 0.1600\n274.0 6.160E-21 0.1520\n275.0 6.730E-21 0.1430\n276.0 7.320E-21 0.1360\n277.0 7.930E-21 0.1290\n278.0 8.630E-21 0.1220\n279.0 9.360E-21 0.1150\n280.0 1.010E-20 0.1090\n281.0 1.090E-20 0.1030\n282.0 1.180E-20 0.0980\n283.0 1.260E-20 0.0920\n284.0 1.350E-20 0.0870\n285.0 1.450E-20 0.0830\n286.0 1.560E-20 0.0780\n287.0 1.670E-20 0.0740\n288.0 1.790E-20 0.0700\n289.0 1.900E-20 0.0660\n290.0 2.030E-20 0.0630\n291.0 2.160E-20 0.0600\n292.0 2.280E-20 0.0560\n293.0 2.400E-20 0.0530\n294.0 2.520E-20 0.0500\n295.0 2.680E-20 0.0480\n296.0 2.850E-20 0.0450\n297.0 2.990E-20 0.0430\n298.0 3.130E-20 0.0400\n299.0 3.260E-20 0.0380\n300.0 3.440E-20 0.0360\n301.0 3.610E-20 0.0340\n302.0 3.760E-20 0.0320\n303.0 3.910E-20 0.0310\n304.0 4.040E-20 0.0290\n305.0 4.190E-20 0.0280\n306.0 4.400E-20 0.0260\n307.0 4.580E-20 0.0250\n308.0 4.710E-20 0.0230\n309.0 4.810E-20 0.0220\n310.0 4.920E-20 0.0210\n311.0 5.130E-20 0.0200\n312.0 5.350E-20 0.0190\n313.0 5.500E-20 0.0180\n314.0 5.610E-20 0.0170\n315.0 5.700E-20 0.0160\n316.0 5.870E-20 0.0150\n317.0 6.040E-20 0.0140\n318.0 6.190E-20 0.0130\n319.0 6.280E-20 0.0130\n320.0 6.270E-20 0.0120\n321.0 6.180E-20 0.0110\n322.0 6.210E-20 0.0110\n323.0 6.340E-20 0.0100\n324.0 6.580E-20 0.0100\n325.0 6.740E-20 0.0090\n326.0 6.730E-20 0.0090\n327.0 6.680E-20 0.0080\n328.0 6.830E-20 0.0080\n329.0 7.070E-20 0.0070\n330.0 7.150E-20 0.0070\n331.0 7.160E-20 0.0070\n332.0 7.030E-20 0.0060\n333.0 6.690E-20 0.0060\n334.0 6.410E-20 0.0060\n335.0 6.080E-20 0.0050\n336.0 5.970E-20 0.0050\n337.0 6.250E-20 0.0050\n338.0 6.380E-20 0.0040\n339.0 6.370E-20 0.0040\n340.0 6.240E-20 0.0040\n341.0 6.020E-20 0.0040\n342.0 5.980E-20 0.0040\n343.0 6.580E-20 0.0030\n344.0 6.790E-20 0.0030\n345.0 6.530E-20 0.0030\n346.0 6.110E-20 0.0030\n347.0 5.630E-20 0.0030\n348.0 5.220E-20 0.0030\n349.0 4.550E-20 0.0020\n350.0 4.160E-20 0.0020\n351.0 3.850E-20 0.0020\n352.0 3.890E-20 0.0020\n353.0 4.350E-20 0.0020\n354.0 4.310E-20 0.0020\n355.0 4.140E-20 0.0020\n356.0 3.620E-20 0.0020\n357.0 3.530E-20 0.0020\n358.0 3.460E-20 0.0010\n359.0 3.810E-20 0.0010\n360.0 5.050E-20 0.0010\n361.0 4.280E-20 0.0010\n362.0 3.610E-20 0.0010\n363.0 2.860E-20 0.0010\n364.0 2.680E-20 0.0010\n365.0 2.330E-20 0.0010\n366.0 1.920E-20 0.0010\n367.0 1.620E-20 0.0010\n368.0 1.400E-20 0.0010\n369.0 1.310E-20 0.0010\n370.0 1.420E-20 0.0010\n371.0 1.670E-20 0.0010\n372.0 1.530E-20 0.0010\n373.0 1.430E-20 0.0010\n374.0 1.080E-20 0.0010\n375.0 9.770E-21 0.0010\n376.0 1.000E-20 0.0010\n377.0 1.070E-20 0.0010\n378.0 1.350E-20 0.0000\n379.0 2.180E-20 0.0000\n380.0 1.300E-20 0.0000\n381.0 9.840E-21 0.0000\n382.0 5.550E-21 0.0000\n383.0 4.560E-21 0.0000\n384.0 3.640E-21 0.0000\n385.0 3.310E-21 0.0000\n386.0 2.460E-21 0.0000\n387.0 2.050E-21 0.0000\n388.0 1.810E-21 0.0000\n389.0 1.610E-21 0.0000\n390.0 1.470E-21 0.0000\n391.0 1.560E-21 0.0000\n392.0 1.590E-21 0.0000\n393.0 1.530E-21 0.0000\n394.0 1.490E-21 0.0000\n395.0 1.230E-21 0.0000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/MACRN_RACM2", "content": "MACRN_RACM2 \t\t\n! MACRN + hv = NO2 + HO2 + CO + HAC j(macrn) \n! cross section based on Mller et al. 2014 (Fig.2)\n! quantum yield based on Mller (2014). \n! R2SMH (updated RACM2 at WRF-Chem) uses i-butyraldehyde cross sections recommended by Atkinson et al. (2006) for MACRN\n! but Mller (2014) show large cross-section enhancements for MACRN and a near-unit quantum yield for these compounds.\n! They assume a near-unit quantum yield for ethanal nitrate\n! Made by Azimeh Zare \t\t \t\t\nPoints (the mechanism evaluated with this format) \t\t\n! With \"FAC,\" units are (cm^2/molecule) \t\t\nFAC=1.0 \t\t\n255 14.10E-20 0.94 \n260 12.00E-20 0.94 \t\t\n265 11.10E-20 0.92 \t\t\n270 11.10E-20 0.9 \t\t\n275 11.70E-20 0.9 \t\t\n280 12.60E-20 0.9 \t\t\n285 13.10E-20 0.9 \t\t\n290 13.30E-20 0.9 \t\t\n295 13.50E-20 0.9\n300 12.90E-20 0.9 \t\t\n305 12.50E-20 0.9 \t\t\n310 11.10E-20 0.9 \t\t\n315 10.60E-20 0.9 \t\t\n320 9.100E-20 0.9 \t\t\n325 8.800E-20 0.9 \t\t\n330 8.000E-20 0.9 \t\t\n335 6.500E-20 0.9 \t\t\n340 3.500E-20 0.9 \t\t\n345 0.000E+00 0.9 \t\t\n350 0.000E+00 0.9 \t\t\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/MACR_06", "content": "MACR-06 \n! Methacrolein total photolysis \n! Absorption cross sections from IUPAC Subcommittee on Gas Kinetic Data Evaluatio\n! Website: http://www.iupac-kinetic.ch.cam.ac.uk/. This datasheet updated: 16th M\n! The quantum yields were derived using the pressure and wavelength-dependent \n! expression given by IUPAC (2005) for MVK, with the total pressure adjusted so \n! that the radical forming photolysis rates for the chamber experiments are the \n! same as those that fit the chamber data. \n! \nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n250.0 2.070E-21 0.5670\n251.0 1.940E-21 0.5370\n252.0 1.870E-21 0.5080\n253.0 1.800E-21 0.4810\n254.0 1.780E-21 0.4550\n255.0 1.770E-21 0.4310\n256.0 1.800E-21 0.4080\n257.0 1.800E-21 0.3860\n258.0 1.860E-21 0.3650\n259.0 1.930E-21 0.3460\n260.0 2.010E-21 0.3270\n261.0 2.110E-21 0.3100\n262.0 2.240E-21 0.2930\n263.0 2.410E-21 0.2780\n264.0 2.630E-21 0.2630\n265.0 2.830E-21 0.2490\n266.0 3.050E-21 0.2350\n267.0 3.330E-21 0.2230\n268.0 3.630E-21 0.2110\n269.0 3.980E-21 0.2000\n270.0 4.360E-21 0.1890\n271.0 4.790E-21 0.1790\n272.0 5.200E-21 0.1690\n273.0 5.670E-21 0.1600\n274.0 6.160E-21 0.1520\n275.0 6.730E-21 0.1430\n276.0 7.320E-21 0.1360\n277.0 7.930E-21 0.1290\n278.0 8.630E-21 0.1220\n279.0 9.360E-21 0.1150\n280.0 1.010E-20 0.1090\n281.0 1.090E-20 0.1030\n282.0 1.180E-20 0.0980\n283.0 1.260E-20 0.0920\n284.0 1.350E-20 0.0870\n285.0 1.450E-20 0.0830\n286.0 1.560E-20 0.0780\n287.0 1.670E-20 0.0740\n288.0 1.790E-20 0.0700\n289.0 1.900E-20 0.0660\n290.0 2.030E-20 0.0630\n291.0 2.160E-20 0.0600\n292.0 2.280E-20 0.0560\n293.0 2.400E-20 0.0530\n294.0 2.520E-20 0.0500\n295.0 2.680E-20 0.0480\n296.0 2.850E-20 0.0450\n297.0 2.990E-20 0.0430\n298.0 3.130E-20 0.0400\n299.0 3.260E-20 0.0380\n300.0 3.440E-20 0.0360\n301.0 3.610E-20 0.0340\n302.0 3.760E-20 0.0320\n303.0 3.910E-20 0.0310\n304.0 4.040E-20 0.0290\n305.0 4.190E-20 0.0280\n306.0 4.400E-20 0.0260\n307.0 4.580E-20 0.0250\n308.0 4.710E-20 0.0230\n309.0 4.810E-20 0.0220\n310.0 4.920E-20 0.0210\n311.0 5.130E-20 0.0200\n312.0 5.350E-20 0.0190\n313.0 5.500E-20 0.0180\n314.0 5.610E-20 0.0170\n315.0 5.700E-20 0.0160\n316.0 5.870E-20 0.0150\n317.0 6.040E-20 0.0140\n318.0 6.190E-20 0.0130\n319.0 6.280E-20 0.0130\n320.0 6.270E-20 0.0120\n321.0 6.180E-20 0.0110\n322.0 6.210E-20 0.0110\n323.0 6.340E-20 0.0100\n324.0 6.580E-20 0.0100\n325.0 6.740E-20 0.0090\n326.0 6.730E-20 0.0090\n327.0 6.680E-20 0.0080\n328.0 6.830E-20 0.0080\n329.0 7.070E-20 0.0070\n330.0 7.150E-20 0.0070\n331.0 7.160E-20 0.0070\n332.0 7.030E-20 0.0060\n333.0 6.690E-20 0.0060\n334.0 6.410E-20 0.0060\n335.0 6.080E-20 0.0050\n336.0 5.970E-20 0.0050\n337.0 6.250E-20 0.0050\n338.0 6.380E-20 0.0040\n339.0 6.370E-20 0.0040\n340.0 6.240E-20 0.0040\n341.0 6.020E-20 0.0040\n342.0 5.980E-20 0.0040\n343.0 6.580E-20 0.0030\n344.0 6.790E-20 0.0030\n345.0 6.530E-20 0.0030\n346.0 6.110E-20 0.0030\n347.0 5.630E-20 0.0030\n348.0 5.220E-20 0.0030\n349.0 4.550E-20 0.0020\n350.0 4.160E-20 0.0020\n351.0 3.850E-20 0.0020\n352.0 3.890E-20 0.0020\n353.0 4.350E-20 0.0020\n354.0 4.310E-20 0.0020\n355.0 4.140E-20 0.0020\n356.0 3.620E-20 0.0020\n357.0 3.530E-20 0.0020\n358.0 3.460E-20 0.0010\n359.0 3.810E-20 0.0010\n360.0 5.050E-20 0.0010\n361.0 4.280E-20 0.0010\n362.0 3.610E-20 0.0010\n363.0 2.860E-20 0.0010\n364.0 2.680E-20 0.0010\n365.0 2.330E-20 0.0010\n366.0 1.920E-20 0.0010\n367.0 1.620E-20 0.0010\n368.0 1.400E-20 0.0010\n369.0 1.310E-20 0.0010\n370.0 1.420E-20 0.0010\n371.0 1.670E-20 0.0010\n372.0 1.530E-20 0.0010\n373.0 1.430E-20 0.0010\n374.0 1.080E-20 0.0010\n375.0 9.770E-21 0.0010\n376.0 1.000E-20 0.0010\n377.0 1.070E-20 0.0010\n378.0 1.350E-20 0.0000\n379.0 2.180E-20 0.0000\n380.0 1.300E-20 0.0000\n381.0 9.840E-21 0.0000\n382.0 5.550E-21 0.0000\n383.0 4.560E-21 0.0000\n384.0 3.640E-21 0.0000\n385.0 3.310E-21 0.0000\n386.0 2.460E-21 0.0000\n387.0 2.050E-21 0.0000\n388.0 1.810E-21 0.0000\n389.0 1.610E-21 0.0000\n390.0 1.470E-21 0.0000\n391.0 1.560E-21 0.0000\n392.0 1.590E-21 0.0000\n393.0 1.530E-21 0.0000\n394.0 1.490E-21 0.0000\n395.0 1.230E-21 0.0000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/MACR_A_MCMv32", "content": "MACR_MCMv32\n!Methacrolein CH2C(CH3)CHO photolysis (298K) sums the first and third channels\n! MACR ---> H + CH2=C(CH3)CO (phi3)\n! MACR ---> H3C=CH2 + HCO (phi1)\n!and neglects remaining channel\n! ---> C3H6 +CO (phi2) \n!\n!IUPAC 2002 Recommendation\n!http://iupac.pole-ether.fr/htdocs/datasheets/pdf/P9_CH2C(CH3)CHO+hv.pdf\n!Dated: May 2002\n!\n!Cross-Section\n! T. Gierczak, J.B. Burkholder, R.K. Talukdar, A. Mellouki, S.B. Barone, \n! and A.R. Ravishankara: Atmospheric fate of methyl vinyl ketone and \n! methacrolein, J. Photochem. Photobiol. A: Chem. 110, 1-10 (1997)\n! Taken from:\n! MPI_Mainz Spectral Atlas (http://www.atmosphere.mpg.de/enid/2295)\n!\n!\n!Quantum Yields\n! Very low total qy (< 0.05 IUPAC 2002 but it does not recommend a value.)\n!\n! Average of the optimised total QY of 0.0039 (Pinho et al, 2005) used from \n!\n! 1. Carter, 2000. Documentation of the SAPRC-99\n! chemical mechanism for VOC reactivity assessment. Final\n! Report to California Air Resources Board Contract 92-329\n! and Contract 95-308, Air Pollution Research Center and\n! College of Engineering Center for Environmental Research\n! and Technology University of California Riverside,\n! California.\n! 2. Pinho et al., Atmos Env, 39(7), 1303-1322 (2005)\n! 3. RADICAL, 2002. Final report on the EU fourth framework\n! project evaluation of radical sources in atmospheric\n! chemistry through chamber and laboratory studies,\n! RADICAL. European Communities Report EUR\n! 20254 EN, G.K. Moortgat (Coordinator), MPI Mainz, Germany\n!\n!phi1 (CH3C=CH2 + HCO) = 1.95E-3\n!phi3 (CH2=C(CH3)CO + H) = 1.95E-3\n!\n! \n!T = 298 K, resolution = 1 nm\n!wvl(nm) XC(cm2)qy\nPoints (the mechanism evaluated with this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n250.0 2.07E-21 0.00390\n251.0 1.94E-21 0.00390\n252.0 1.87E-21 0.00390\n253.0 1.80E-21 0.00390\n254.0 1.78E-21 0.00390\n255.0 1.77E-21 0.00390\n256.0 1.80E-21 0.00390\n257.0 1.80E-21 0.00390\n258.0 1.86E-21 0.00390\n259.0 1.93E-21 0.00390\n260.0 2.01E-21 0.00390\n261.0 2.11E-21 0.00390\n262.0 2.24E-21 0.00390\n263.0 2.41E-21 0.00390\n264.0 2.63E-21 0.00390\n265.0 2.83E-21 0.00390\n266.0 3.05E-21 0.00390\n267.0 3.33E-21 0.00390\n268.0 3.63E-21 0.00390\n269.0 3.98E-21 0.00390\n270.0 4.36E-21 0.00390\n271.0 4.79E-21 0.00390\n272.0 5.20E-21 0.00390\n273.0 5.67E-21 0.00390\n274.0 6.16E-21 0.00390\n275.0 6.73E-21 0.00390\n276.0 7.32E-21 0.00390\n277.0 7.93E-21 0.00390\n278.0 8.63E-21 0.00390\n279.0 9.36E-21 0.00390\n280.0 1.01E-20 0.00390\n281.0 1.09E-20 0.00390\n282.0 1.18E-20 0.00390\n283.0 1.26E-20 0.00390\n284.0 1.35E-20 0.00390\n285.0 1.45E-20 0.00390\n286.0 1.56E-20 0.00390\n287.0 1.67E-20 0.00390\n288.0 1.79E-20 0.00390\n289.0 1.90E-20 0.00390\n290.0 2.03E-20 0.00390\n291.0 2.16E-20 0.00390\n292.0 2.28E-20 0.00390\n293.0 2.40E-20 0.00390\n294.0 2.52E-20 0.00390\n295.0 2.68E-20 0.00390\n296.0 2.85E-20 0.00390\n297.0 2.99E-20 0.00390\n298.0 3.13E-20 0.00390\n299.0 3.26E-20 0.00390\n300.0 3.44E-20 0.00390\n301.0 3.61E-20 0.00390\n302.0 3.76E-20 0.00390\n303.0 3.91E-20 0.00390\n304.0 4.04E-20 0.00390\n305.0 4.19E-20 0.00390\n306.0 4.40E-20 0.00390\n307.0 4.58E-20 0.00390\n308.0 4.71E-20 0.00390\n309.0 4.81E-20 0.00390\n310.0 4.92E-20 0.00390\n311.0 5.13E-20 0.00390\n312.0 5.35E-20 0.00390\n313.0 5.50E-20 0.00390\n314.0 5.61E-20 0.00390\n315.0 5.70E-20 0.00390\n316.0 5.87E-20 0.00390\n317.0 6.04E-20 0.00390\n318.0 6.19E-20 0.00390\n319.0 6.28E-20 0.00390\n320.0 6.27E-20 0.00390\n321.0 6.18E-20 0.00390\n322.0 6.21E-20 0.00390\n323.0 6.34E-20 0.00390\n324.0 6.58E-20 0.00390\n325.0 6.74E-20 0.00390\n326.0 6.73E-20 0.00390\n327.0 6.68E-20 0.00390\n328.0 6.83E-20 0.00390\n329.0 7.07E-20 0.00390\n330.0 7.15E-20 0.00390\n331.0 7.16E-20 0.00390\n332.0 7.03E-20 0.00390\n333.0 6.69E-20 0.00390\n334.0 6.41E-20 0.00390\n335.0 6.08E-20 0.00390\n336.0 5.97E-20 0.00390\n337.0 6.25E-20 0.00390\n338.0 6.38E-20 0.00390\n339.0 6.37E-20 0.00390\n340.0 6.24E-20 0.00390\n341.0 6.02E-20 0.00390\n342.0 5.98E-20 0.00390\n343.0 6.58E-20 0.00390\n344.0 6.79E-20 0.00390\n345.0 6.53E-20 0.00390\n346.0 6.11E-20 0.00390\n347.0 5.63E-20 0.00390\n348.0 5.22E-20 0.00390\n349.0 4.55E-20 0.00390\n350.0 4.16E-20 0.00390\n351.0 3.85E-20 0.00390\n352.0 3.89E-20 0.00390\n353.0 4.35E-20 0.00390\n354.0 4.31E-20 0.00390\n355.0 4.14E-20 0.00390\n356.0 3.62E-20 0.00390\n357.0 3.53E-20 0.00390\n358.0 3.46E-20 0.00390\n359.0 3.81E-20 0.00390\n360.0 5.05E-20 0.00390\n361.0 4.28E-20 0.00390\n362.0 3.61E-20 0.00390\n363.0 2.86E-20 0.00390\n364.0 2.68E-20 0.00390\n365.0 2.33E-20 0.00390\n366.0 1.92E-20 0.00390\n367.0 1.62E-20 0.00390\n368.0 1.40E-20 0.00390\n369.0 1.31E-20 0.00390\n370.0 1.42E-20 0.00390\n371.0 1.67E-20 0.00390\n372.0 1.53E-20 0.00390\n373.0 1.43E-20 0.00390\n374.0 1.08E-20 0.00390\n375.0 9.77E-21 0.00390\n376.0 1.00E-20 0.00390\n377.0 1.07E-20 0.00390\n378.0 1.35E-20 0.00390\n379.0 2.18E-20 0.00390\n380.0 1.30E-20 0.00390\n381.0 9.84E-21 0.00390\n382.0 5.55E-21 0.00390\n383.0 4.56E-21 0.00390\n384.0 3.64E-21 0.00390\n385.0 3.31E-21 0.00390\n386.0 2.46E-21 0.00390\n387.0 2.05E-21 0.00390\n388.0 1.81E-21 0.00390\n389.0 1.61E-21 0.00390\n390.0 1.47E-21 0.00390\n391.0 1.56E-21 0.00390\n392.0 1.59E-21 0.00390\n393.0 1.53E-21 0.00390\n394.0 1.49E-21 0.00390\n395.0 1.23E-21 0.00390\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/MACR_B_MCMv32", "content": "MACR_B_MCMv32\n!Methacrolein CH2C(CH3)CHO photolysis (298K) sums the first and third channels\n! MACR --->CH2=C(CH3)CO + H (phi3)\n!and neglects remaining channel\n! ---> C3H6 +CO (phi2) \n!\n!IUPAC 2002 Recommendation\n!http://iupac.pole-ether.fr/htdocs/datasheets/pdf/P9_CH2C(CH3)CHO+hv.pdf\n!Dated: May 2002\n!\n!Cross-Section\n! T. Gierczak, J.B. Burkholder, R.K. Talukdar, A. Mellouki, S.B. Barone, \n! and A.R. Ravishankara: Atmospheric fate of methyl vinyl ketone and \n! methacrolein, J. Photochem. Photobiol. A: Chem. 110, 1-10 (1997)\n! Taken from:\n! MPI_Mainz Spectral Atlas (http://www.atmosphere.mpg.de/enid/2295)\n!\n!\n!Quantum Yields\n! Very low total qy (< 0.05 IUPAC 2002 but it does not recommend a value.)\n!\n! Average of the optimised total QY of 0.0039 (Pinho et al, 2005) used from \n!\n! 1. Carter, 2000. Documentation of the SAPRC-99\n! chemical mechanism for VOC reactivity assessment. Final\n! Report to California Air Resources Board Contract 92-329\n! and Contract 95-308, Air Pollution Research Center and\n! College of Engineering Center for Environmental Research\n! and Technology University of California Riverside,\n! California.\n! 2. Pinho et al., Atmos Env, 39(7), 1303-1322 (2005)\n! 3. RADICAL, 2002. Final report on the EU fourth framework\n! project evaluation of radical sources in atmospheric\n! chemistry through chamber and laboratory studies,\n! RADICAL. European Communities Report EUR\n! 20254 EN, G.K. Moortgat (Coordinator), MPI Mainz, Germany\n!\n!phi1 (CH3C=CH2 + HCO) = 1.95E-3\n!phi3 (CH2=C(CH3)CO + H) = 1.95E-3\n!\n! \n!T = 298 K, resolution = 1 nm\n!wvl(nm) XC(cm2)qy\nPoints (the mechanism evaluated with this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n250.0 2.07E-21 0.00195\n251.0 1.94E-21 0.00195\n252.0 1.87E-21 0.00195\n253.0 1.80E-21 0.00195\n254.0 1.78E-21 0.00195\n255.0 1.77E-21 0.00195\n256.0 1.80E-21 0.00195\n257.0 1.80E-21 0.00195\n258.0 1.86E-21 0.00195\n259.0 1.93E-21 0.00195\n260.0 2.01E-21 0.00195\n261.0 2.11E-21 0.00195\n262.0 2.24E-21 0.00195\n263.0 2.41E-21 0.00195\n264.0 2.63E-21 0.00195\n265.0 2.83E-21 0.00195\n266.0 3.05E-21 0.00195\n267.0 3.33E-21 0.00195\n268.0 3.63E-21 0.00195\n269.0 3.98E-21 0.00195\n270.0 4.36E-21 0.00195\n271.0 4.79E-21 0.00195\n272.0 5.20E-21 0.00195\n273.0 5.67E-21 0.00195\n274.0 6.16E-21 0.00195\n275.0 6.73E-21 0.00195\n276.0 7.32E-21 0.00195\n277.0 7.93E-21 0.00195\n278.0 8.63E-21 0.00195\n279.0 9.36E-21 0.00195\n280.0 1.01E-20 0.00195\n281.0 1.09E-20 0.00195\n282.0 1.18E-20 0.00195\n283.0 1.26E-20 0.00195\n284.0 1.35E-20 0.00195\n285.0 1.45E-20 0.00195\n286.0 1.56E-20 0.00195\n287.0 1.67E-20 0.00195\n288.0 1.79E-20 0.00195\n289.0 1.90E-20 0.00195\n290.0 2.03E-20 0.00195\n291.0 2.16E-20 0.00195\n292.0 2.28E-20 0.00195\n293.0 2.40E-20 0.00195\n294.0 2.52E-20 0.00195\n295.0 2.68E-20 0.00195\n296.0 2.85E-20 0.00195\n297.0 2.99E-20 0.00195\n298.0 3.13E-20 0.00195\n299.0 3.26E-20 0.00195\n300.0 3.44E-20 0.00195\n301.0 3.61E-20 0.00195\n302.0 3.76E-20 0.00195\n303.0 3.91E-20 0.00195\n304.0 4.04E-20 0.00195\n305.0 4.19E-20 0.00195\n306.0 4.40E-20 0.00195\n307.0 4.58E-20 0.00195\n308.0 4.71E-20 0.00195\n309.0 4.81E-20 0.00195\n310.0 4.92E-20 0.00195\n311.0 5.13E-20 0.00195\n312.0 5.35E-20 0.00195\n313.0 5.50E-20 0.00195\n314.0 5.61E-20 0.00195\n315.0 5.70E-20 0.00195\n316.0 5.87E-20 0.00195\n317.0 6.04E-20 0.00195\n318.0 6.19E-20 0.00195\n319.0 6.28E-20 0.00195\n320.0 6.27E-20 0.00195\n321.0 6.18E-20 0.00195\n322.0 6.21E-20 0.00195\n323.0 6.34E-20 0.00195\n324.0 6.58E-20 0.00195\n325.0 6.74E-20 0.00195\n326.0 6.73E-20 0.00195\n327.0 6.68E-20 0.00195\n328.0 6.83E-20 0.00195\n329.0 7.07E-20 0.00195\n330.0 7.15E-20 0.00195\n331.0 7.16E-20 0.00195\n332.0 7.03E-20 0.00195\n333.0 6.69E-20 0.00195\n334.0 6.41E-20 0.00195\n335.0 6.08E-20 0.00195\n336.0 5.97E-20 0.00195\n337.0 6.25E-20 0.00195\n338.0 6.38E-20 0.00195\n339.0 6.37E-20 0.00195\n340.0 6.24E-20 0.00195\n341.0 6.02E-20 0.00195\n342.0 5.98E-20 0.00195\n343.0 6.58E-20 0.00195\n344.0 6.79E-20 0.00195\n345.0 6.53E-20 0.00195\n346.0 6.11E-20 0.00195\n347.0 5.63E-20 0.00195\n348.0 5.22E-20 0.00195\n349.0 4.55E-20 0.00195\n350.0 4.16E-20 0.00195\n351.0 3.85E-20 0.00195\n352.0 3.89E-20 0.00195\n353.0 4.35E-20 0.00195\n354.0 4.31E-20 0.00195\n355.0 4.14E-20 0.00195\n356.0 3.62E-20 0.00195\n357.0 3.53E-20 0.00195\n358.0 3.46E-20 0.00195\n359.0 3.81E-20 0.00195\n360.0 5.05E-20 0.00195\n361.0 4.28E-20 0.00195\n362.0 3.61E-20 0.00195\n363.0 2.86E-20 0.00195\n364.0 2.68E-20 0.00195\n365.0 2.33E-20 0.00195\n366.0 1.92E-20 0.00195\n367.0 1.62E-20 0.00195\n368.0 1.40E-20 0.00195\n369.0 1.31E-20 0.00195\n370.0 1.42E-20 0.00195\n371.0 1.67E-20 0.00195\n372.0 1.53E-20 0.00195\n373.0 1.43E-20 0.00195\n374.0 1.08E-20 0.00195\n375.0 9.77E-21 0.00195\n376.0 1.00E-20 0.00195\n377.0 1.07E-20 0.00195\n378.0 1.35E-20 0.00195\n379.0 2.18E-20 0.00195\n380.0 1.30E-20 0.00195\n381.0 9.84E-21 0.00195\n382.0 5.55E-21 0.00195\n383.0 4.56E-21 0.00195\n384.0 3.64E-21 0.00195\n385.0 3.31E-21 0.00195\n386.0 2.46E-21 0.00195\n387.0 2.05E-21 0.00195\n388.0 1.81E-21 0.00195\n389.0 1.61E-21 0.00195\n390.0 1.47E-21 0.00195\n391.0 1.56E-21 0.00195\n392.0 1.59E-21 0.00195\n393.0 1.53E-21 0.00195\n394.0 1.49E-21 0.00195\n395.0 1.23E-21 0.00195\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/MACR_MCMv32", "content": "MACR_MCMv32\n!Methacrolein CH2C(CH3)CHO photolysis (298K) sums the first and third channels\n! MACR ---> H + CH2=C(CH3)CO (phi3)\n! MACR ---> H3C=CH2 + HCO (phi1)\n!and neglects remaining channel\n! ---> C3H6 +CO (phi2) \n!\n!IUPAC 2002 Recommendation\n!http://iupac.pole-ether.fr/htdocs/datasheets/pdf/P9_CH2C(CH3)CHO+hv.pdf\n!Dated: May 2002\n!\n!Cross-Section\n! T. Gierczak, J.B. Burkholder, R.K. Talukdar, A. Mellouki, S.B. Barone, \n! and A.R. Ravishankara: Atmospheric fate of methyl vinyl ketone and \n! methacrolein, J. Photochem. Photobiol. A: Chem. 110, 1-10 (1997)\n! Taken from:\n! MPI_Mainz Spectral Atlas (http://www.atmosphere.mpg.de/enid/2295)\n!\n!\n!Quantum Yields\n! Very low total qy (< 0.05 IUPAC 2002 but it does not recommend a value.)\n!\n! Average of the optimised total QY of 0.0039 (Pinho et al, 2005) used from \n!\n! 1. Carter, 2000. Documentation of the SAPRC-99\n! chemical mechanism for VOC reactivity assessment. Final\n! Report to California Air Resources Board Contract 92-329\n! and Contract 95-308, Air Pollution Research Center and\n! College of Engineering Center for Environmental Research\n! and Technology University of California Riverside,\n! California.\n! 2. Pinho et al., Atmos Env, 39(7), 1303-1322 (2005)\n! 3. RADICAL, 2002. Final report on the EU fourth framework\n! project evaluation of radical sources in atmospheric\n! chemistry through chamber and laboratory studies,\n! RADICAL. European Communities Report EUR\n! 20254 EN, G.K. Moortgat (Coordinator), MPI Mainz, Germany\n!\n!phi1 (CH3C=CH2 + HCO) = 1.95E-3\n!phi3 (CH2=C(CH3)CO + H) = 1.95E-3\n!\n! \n!T = 298 K, resolution = 1 nm\n!wvl(nm) XC(cm2)qy\nPoints (the mechanism evaluated with this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n250.0 2.07E-21 0.00390\n251.0 1.94E-21 0.00390\n252.0 1.87E-21 0.00390\n253.0 1.80E-21 0.00390\n254.0 1.78E-21 0.00390\n255.0 1.77E-21 0.00390\n256.0 1.80E-21 0.00390\n257.0 1.80E-21 0.00390\n258.0 1.86E-21 0.00390\n259.0 1.93E-21 0.00390\n260.0 2.01E-21 0.00390\n261.0 2.11E-21 0.00390\n262.0 2.24E-21 0.00390\n263.0 2.41E-21 0.00390\n264.0 2.63E-21 0.00390\n265.0 2.83E-21 0.00390\n266.0 3.05E-21 0.00390\n267.0 3.33E-21 0.00390\n268.0 3.63E-21 0.00390\n269.0 3.98E-21 0.00390\n270.0 4.36E-21 0.00390\n271.0 4.79E-21 0.00390\n272.0 5.20E-21 0.00390\n273.0 5.67E-21 0.00390\n274.0 6.16E-21 0.00390\n275.0 6.73E-21 0.00390\n276.0 7.32E-21 0.00390\n277.0 7.93E-21 0.00390\n278.0 8.63E-21 0.00390\n279.0 9.36E-21 0.00390\n280.0 1.01E-20 0.00390\n281.0 1.09E-20 0.00390\n282.0 1.18E-20 0.00390\n283.0 1.26E-20 0.00390\n284.0 1.35E-20 0.00390\n285.0 1.45E-20 0.00390\n286.0 1.56E-20 0.00390\n287.0 1.67E-20 0.00390\n288.0 1.79E-20 0.00390\n289.0 1.90E-20 0.00390\n290.0 2.03E-20 0.00390\n291.0 2.16E-20 0.00390\n292.0 2.28E-20 0.00390\n293.0 2.40E-20 0.00390\n294.0 2.52E-20 0.00390\n295.0 2.68E-20 0.00390\n296.0 2.85E-20 0.00390\n297.0 2.99E-20 0.00390\n298.0 3.13E-20 0.00390\n299.0 3.26E-20 0.00390\n300.0 3.44E-20 0.00390\n301.0 3.61E-20 0.00390\n302.0 3.76E-20 0.00390\n303.0 3.91E-20 0.00390\n304.0 4.04E-20 0.00390\n305.0 4.19E-20 0.00390\n306.0 4.40E-20 0.00390\n307.0 4.58E-20 0.00390\n308.0 4.71E-20 0.00390\n309.0 4.81E-20 0.00390\n310.0 4.92E-20 0.00390\n311.0 5.13E-20 0.00390\n312.0 5.35E-20 0.00390\n313.0 5.50E-20 0.00390\n314.0 5.61E-20 0.00390\n315.0 5.70E-20 0.00390\n316.0 5.87E-20 0.00390\n317.0 6.04E-20 0.00390\n318.0 6.19E-20 0.00390\n319.0 6.28E-20 0.00390\n320.0 6.27E-20 0.00390\n321.0 6.18E-20 0.00390\n322.0 6.21E-20 0.00390\n323.0 6.34E-20 0.00390\n324.0 6.58E-20 0.00390\n325.0 6.74E-20 0.00390\n326.0 6.73E-20 0.00390\n327.0 6.68E-20 0.00390\n328.0 6.83E-20 0.00390\n329.0 7.07E-20 0.00390\n330.0 7.15E-20 0.00390\n331.0 7.16E-20 0.00390\n332.0 7.03E-20 0.00390\n333.0 6.69E-20 0.00390\n334.0 6.41E-20 0.00390\n335.0 6.08E-20 0.00390\n336.0 5.97E-20 0.00390\n337.0 6.25E-20 0.00390\n338.0 6.38E-20 0.00390\n339.0 6.37E-20 0.00390\n340.0 6.24E-20 0.00390\n341.0 6.02E-20 0.00390\n342.0 5.98E-20 0.00390\n343.0 6.58E-20 0.00390\n344.0 6.79E-20 0.00390\n345.0 6.53E-20 0.00390\n346.0 6.11E-20 0.00390\n347.0 5.63E-20 0.00390\n348.0 5.22E-20 0.00390\n349.0 4.55E-20 0.00390\n350.0 4.16E-20 0.00390\n351.0 3.85E-20 0.00390\n352.0 3.89E-20 0.00390\n353.0 4.35E-20 0.00390\n354.0 4.31E-20 0.00390\n355.0 4.14E-20 0.00390\n356.0 3.62E-20 0.00390\n357.0 3.53E-20 0.00390\n358.0 3.46E-20 0.00390\n359.0 3.81E-20 0.00390\n360.0 5.05E-20 0.00390\n361.0 4.28E-20 0.00390\n362.0 3.61E-20 0.00390\n363.0 2.86E-20 0.00390\n364.0 2.68E-20 0.00390\n365.0 2.33E-20 0.00390\n366.0 1.92E-20 0.00390\n367.0 1.62E-20 0.00390\n368.0 1.40E-20 0.00390\n369.0 1.31E-20 0.00390\n370.0 1.42E-20 0.00390\n371.0 1.67E-20 0.00390\n372.0 1.53E-20 0.00390\n373.0 1.43E-20 0.00390\n374.0 1.08E-20 0.00390\n375.0 9.77E-21 0.00390\n376.0 1.00E-20 0.00390\n377.0 1.07E-20 0.00390\n378.0 1.35E-20 0.00390\n379.0 2.18E-20 0.00390\n380.0 1.30E-20 0.00390\n381.0 9.84E-21 0.00390\n382.0 5.55E-21 0.00390\n383.0 4.56E-21 0.00390\n384.0 3.64E-21 0.00390\n385.0 3.31E-21 0.00390\n386.0 2.46E-21 0.00390\n387.0 2.05E-21 0.00390\n388.0 1.81E-21 0.00390\n389.0 1.61E-21 0.00390\n390.0 1.47E-21 0.00390\n391.0 1.56E-21 0.00390\n392.0 1.59E-21 0.00390\n393.0 1.53E-21 0.00390\n394.0 1.49E-21 0.00390\n395.0 1.23E-21 0.00390\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/MACR_RACM2", "content": "MACR_RACM2\n! MACR + HV = 0.34*HO + 0.66*HO2 + 0.67*ACO3 + 0.33*MACP + 0.34*XO2 + 0.67*CO + 0.67*HCHO\n! Absorption x-section from NASA 2006 \n! Quantum yield from \n! Supplied by Dr. Wendy Goliff, reformatted by Dr. Golam Sarwar to make it compatible with CMAQ\nPoints \n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n186.1 0.000E+00 0.008\n187.8 0.000E+00 0.008\n189.6 0.000E+00 0.008\n191.4 0.000E+00 0.008\n193.3 0.000E+00 0.008\n195.2 0.000E+00 0.008\n197.1 0.000E+00 0.008\n199.0 0.000E+00 0.008\n201.0 0.000E+00 0.008\n203.1 0.000E+00 0.008\n205.2 0.000E+00 0.008\n207.3 0.000E+00 0.008\n209.4 0.000E+00 0.008\n211.7 0.000E+00 0.008\n213.9 0.000E+00 0.008\n216.2 0.000E+00 0.008\n218.6 0.000E+00 0.008\n221.0 0.000E+00 0.008\n223.5 0.000E+00 0.008\n226.0 0.000E+00 0.008\n228.6 0.000E+00 0.008\n231.3 0.000E+00 0.008\n234.0 0.000E+00 0.008\n236.7 0.000E+00 0.008\n239.6 0.000E+00 0.008\n242.5 0.000E+00 0.008\n245.4 0.000E+00 0.008\n248.5 0.000E+00 0.008\n251.6 0.190E-20 0.008\n254.8 0.177E-20 0.008\n258.2 0.187E-20 0.008\n261.5 0.218E-20 0.008\n265.0 0.283E-20 0.008\n268.5 0.381E-20 0.008\n272.2 0.529E-20 0.008\n275.9 0.726E-20 0.008\n279.8 0.995E-20 0.008\n283.7 0.132E-19 0.008\n287.8 0.177E-19 0.008\n292.0 0.228E-19 0.008\n296.3 0.289E-19 0.008\n300.5 0.353E-19 0.008\n303.0 0.391E-19 0.008\n304.0 0.404E-19 0.008\n305.0 0.419E-19 0.008\n306.0 0.440E-19 0.008\n307.0 0.458E-19 0.008\n308.0 0.471E-19 0.008\n309.0 0.481E-19 0.008\n310.0 0.492E-19 0.008\n311.0 0.513E-19 0.008\n312.0 0.535E-19 0.008\n313.0 0.550E-19 0.008\n314.0 0.561E-19 0.008\n316.0 0.587E-19 0.008\n320.0 0.627E-19 0.008\n325.0 0.674E-19 0.008\n330.0 0.715E-19 0.008\n335.0 0.608E-19 0.008\n340.0 0.624E-19 0.008\n345.0 0.653E-19 0.008\n350.0 0.416E-19 0.008\n355.0 0.414E-19 0.008\n360.0 0.505E-19 0.008\n365.0 0.233E-19 0.008\n370.0 0.142E-19 0.008\n375.0 0.977E-20 0.008\n380.0 0.130E-19 0.008\n385.0 0.331E-20 0.008\n390.0 0.147E-20 0.008\n395.0 0.123E-20 0.008\n400.0 0.000E+00 0.008\n405.0 0.000E+00 0.008\n410.0 0.000E+00 0.008\n415.0 0.000E+00 0.008\n420.0 0.000E+00 0.008\n425.0 0.000E+00 0.008\n430.0 0.000E+00 0.008\n435.0 0.000E+00 0.008\n440.0 0.000E+00 0.008\n445.0 0.000E+00 0.008\n450.0 0.000E+00 0.008\n455.0 0.000E+00 0.008\n460.0 0.000E+00 0.008\n465.0 0.000E+00 0.008\n470.0 0.000E+00 0.008\n475.0 0.000E+00 0.008\n480.0 0.000E+00 0.008\n485.0 0.000E+00 0.008\n490.0 0.000E+00 0.008\n495.0 0.000E+00 0.008\n500.0 0.000E+00 0.008\n505.0 0.000E+00 0.008\n510.0 0.000E+00 0.008\n515.0 0.000E+00 0.008\n520.0 0.000E+00 0.008\n525.0 0.000E+00 0.008\n530.0 0.000E+00 0.008\n535.0 0.000E+00 0.008\n540.0 0.000E+00 0.008\n545.0 0.000E+00 0.008\n550.0 0.000E+00 0.008\n555.0 0.000E+00 0.008\n560.0 0.000E+00 0.008\n565.0 0.000E+00 0.008\n570.0 0.000E+00 0.008\n575.0 0.000E+00 0.008\n580.0 0.000E+00 0.008\n585.0 0.000E+00 0.008\n590.0 0.000E+00 0.008\n595.0 0.000E+00 0.008\n600.0 0.000E+00 0.008\n605.0 0.000E+00 0.008\n610.0 0.000E+00 0.008\n615.0 0.000E+00 0.008\n620.0 0.000E+00 0.008\n625.0 0.000E+00 0.008\n630.0 0.000E+00 0.008\n635.0 0.000E+00 0.008\n640.0 0.000E+00 0.008\n644.8 0.000E+00 0.000\n651.0 0.000E+00 0.000\n660.0 0.000E+00 0.000\n670.0 0.000E+00 0.000\n680.0 0.000E+00 0.000\n690.0 0.000E+00 0.000\n700.0 0.000E+00 0.000\n710.0 0.000E+00 0.000\n720.0 0.000E+00 0.000\n730.0 0.000E+00 0.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/MB2C", "content": "MB2C\n! CHBR2CL + HV = 2BR\n! CHBR2CL Photolysis data. \n! Supplied by Brett Gantt\n! Created from Bilde et al. J Phys Chem A 1998 (Figure 11 at 298K)\nPoints (These data can be treated as point values)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n200.0 3.000E-18 1.000\n205.0 3.500E-18 1.000\n210.0 4.000E-18 1.000\n215.0 3.000E-18 1.000\n220.0 2.000E-18 1.000\n225.0 1.750E-18 1.000\n230.0 1.500E-18 1.000\n235.0 1.250E-18 1.000\n240.0 1.100E-18 1.000\n245.0 1.000E-18 1.000\n250.0 9.000E-19 1.000\n255.0 6.500E-19 1.000\n260.0 4.000E-19 1.000\n265.0 2.500E-19 1.000\n270.0 1.250E-19 1.000\n275.0 8.000E-20 1.000\n280.0 4.000E-20 1.000\n285.0 2.500E-20 1.000\n290.0 1.000E-20 1.000\n295.0 6.500E-21 1.000\n300.0 3.000E-21 1.000\n305.0 1.500E-21 1.000\n310.0 8.000E-22 1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/MB2C_BLIDE98", "content": "MB2C_BLIDE98\n! CHBR2CL + HV = 2BR\n! CHBR2CL Photolysis data. \n! Supplied by Brett Gantt\n! Created from Bilde et al. J Phys Chem A 1998 (Figure 11 at 298K)\nPoints (these data can be treated as point values)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n200.0 3.000E-18 1.000\n205.0 3.500E-18 1.000\n210.0 4.000E-18 1.000\n215.0 3.000E-18 1.000\n220.0 2.000E-18 1.000\n225.0 1.750E-18 1.000\n230.0 1.500E-18 1.000\n235.0 1.250E-18 1.000\n240.0 1.100E-18 1.000\n245.0 1.000E-18 1.000\n250.0 9.000E-19 1.000\n255.0 6.500E-19 1.000\n260.0 4.000E-19 1.000\n265.0 2.500E-19 1.000\n270.0 1.250E-19 1.000\n275.0 8.000E-20 1.000\n280.0 4.000E-20 1.000\n285.0 2.500E-20 1.000\n290.0 1.000E-20 1.000\n295.0 6.500E-21 1.000\n300.0 3.000E-21 1.000\n305.0 1.500E-21 1.000\n310.0 8.000E-22 1.000" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/MB3", "content": "MB3\n! CHBR3 + HV = 3BR\n! CHBR3 Photolysis data \n! Supplied by Golam Sarwar \n! Created from IUPAC dataset 19-Mar-2014 15:00\nPoints (the mechanism was evaluated assuming this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n190.0 3.990E-18 1.000\n192.0 3.600E-18 1.000\n194.0 3.510E-18 1.000\n196.0 3.660E-18 1.000\n198.0 3.930E-18 1.000\n200.0 4.160E-18 1.000\n202.0 4.330E-18 1.000\n204.0 4.400E-18 1.000\n206.0 4.450E-18 1.000\n208.0 4.510E-18 1.000\n210.0 4.680E-18 1.000\n212.0 4.930E-18 1.000\n214.0 5.240E-18 1.000\n216.0 5.530E-18 1.000\n218.0 5.740E-18 1.000\n220.0 5.820E-18 1.000\n222.0 5.780E-18 1.000\n224.0 5.580E-18 1.000\n226.0 5.270E-18 1.000\n228.0 4.870E-18 1.000\n230.0 4.410E-18 1.000\n232.0 3.970E-18 1.000\n234.0 3.620E-18 1.000\n236.0 3.240E-18 1.000\n238.0 2.950E-18 1.000\n240.0 2.730E-18 1.000\n242.0 2.530E-18 1.000\n244.0 2.340E-18 1.000\n246.0 2.140E-18 1.000\n248.0 1.940E-18 1.000\n250.0 1.740E-18 1.000\n252.0 1.580E-18 1.000\n254.0 1.360E-18 1.000\n256.0 1.160E-18 1.000\n258.0 9.860E-19 1.000\n260.0 8.280E-19 1.000\n262.0 6.890E-19 1.000\n264.0 5.690E-19 1.000\n266.0 4.670E-19 1.000\n268.0 3.800E-19 1.000\n270.0 3.080E-19 1.000\n272.0 2.480E-19 1.000\n274.0 1.980E-19 1.000\n276.0 1.580E-19 1.000\n278.0 1.250E-19 1.000\n280.0 9.880E-20 1.000\n282.0 7.770E-20 1.000\n284.0 6.100E-20 1.000\n286.0 4.810E-20 1.000\n288.0 3.750E-20 1.000\n290.0 2.880E-20 1.000\n292.0 2.220E-20 1.000\n294.0 1.700E-20 1.000\n296.0 1.280E-20 1.000\n298.0 9.510E-21 1.000\n300.0 7.190E-21 1.000\n302.0 5.300E-21 1.000\n304.0 3.940E-21 1.000\n306.0 2.980E-21 1.000\n308.0 2.260E-21 1.000\n310.0 1.710E-21 1.000\n312.0 1.270E-21 1.000\n314.0 9.500E-22 1.000\n316.0 7.100E-22 1.000\n318.0 5.300E-22 1.000\n320.0 3.900E-22 1.000\n322.0 2.900E-22 1.000\n324.0 2.100E-22 1.000\n326.0 1.600E-22 1.000\n328.0 9.000E-23 1.000\n330.0 9.000E-23 1.000\n332.0 7.000E-23 1.000\n334.0 5.000E-23 1.000\n336.0 4.000E-23 1.000\n338.0 3.000E-23 1.000\n340.0 2.000E-23 1.000" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/MB3_IUPAC10", "content": "MB3_IUPAC10\n! CHBR3 + HV = 3BR\n! CHBR3 Photolysis data \n! Supplied by Golam Sarwar \n! Created from IUPAC dataset \nPoints (these data can be treated as point values)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n190.0 3.990E-18 1.000\n192.0 3.600E-18 1.000\n194.0 3.510E-18 1.000\n196.0 3.660E-18 1.000\n198.0 3.930E-18 1.000\n200.0 4.160E-18 1.000\n202.0 4.330E-18 1.000\n204.0 4.400E-18 1.000\n206.0 4.450E-18 1.000\n208.0 4.510E-18 1.000\n210.0 4.680E-18 1.000\n212.0 4.930E-18 1.000\n214.0 5.240E-18 1.000\n216.0 5.530E-18 1.000\n218.0 5.740E-18 1.000\n220.0 5.820E-18 1.000\n222.0 5.780E-18 1.000\n224.0 5.580E-18 1.000\n226.0 5.270E-18 1.000\n228.0 4.870E-18 1.000\n230.0 4.410E-18 1.000\n232.0 3.970E-18 1.000\n234.0 3.620E-18 1.000\n236.0 3.240E-18 1.000\n238.0 2.950E-18 1.000\n240.0 2.730E-18 1.000\n242.0 2.530E-18 1.000\n244.0 2.340E-18 1.000\n246.0 2.140E-18 1.000\n248.0 1.940E-18 1.000\n250.0 1.740E-18 1.000\n252.0 1.580E-18 1.000\n254.0 1.360E-18 1.000\n256.0 1.160E-18 1.000\n258.0 9.860E-19 1.000\n260.0 8.280E-19 1.000\n262.0 6.890E-19 1.000\n264.0 5.690E-19 1.000\n266.0 4.670E-19 1.000\n268.0 3.800E-19 1.000\n270.0 3.080E-19 1.000\n272.0 2.480E-19 1.000\n274.0 1.980E-19 1.000\n276.0 1.580E-19 1.000\n278.0 1.250E-19 1.000\n280.0 9.880E-20 1.000\n282.0 7.770E-20 1.000\n284.0 6.100E-20 1.000\n286.0 4.810E-20 1.000\n288.0 3.750E-20 1.000\n290.0 2.880E-20 1.000\n292.0 2.220E-20 1.000\n294.0 1.700E-20 1.000\n296.0 1.280E-20 1.000\n298.0 9.510E-21 1.000\n300.0 7.190E-21 1.000\n302.0 5.300E-21 1.000\n304.0 3.940E-21 1.000\n306.0 2.980E-21 1.000\n308.0 2.260E-21 1.000\n310.0 1.710E-21 1.000\n312.0 1.270E-21 1.000\n314.0 9.500E-22 1.000\n316.0 7.100E-22 1.000\n318.0 5.300E-22 1.000\n320.0 3.900E-22 1.000\n322.0 2.900E-22 1.000\n324.0 2.100E-22 1.000\n326.0 1.600E-22 1.000\n328.0 9.000E-23 1.000\n330.0 9.000E-23 1.000\n332.0 7.000E-23 1.000\n334.0 5.000E-23 1.000\n336.0 4.000E-23 1.000\n338.0 3.000E-23 1.000\n340.0 2.000E-23 1.000" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/MBC2", "content": "MBC2\n! CHBRCL2 + HV = BR\n! CHBRCL2 Photolysis data. \n! Supplied by Brett Gantt\n! Created from Bilde et al. J Phys Chem A 1998 (Figure 9 at 298K)\nPoints (the mechanism was evaluated assuming this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n210.0 7.000E-19 1.000\n215.0 7.250E-19 1.000\n220.0 7.500E-19 1.000\n225.0 6.500E-19 1.000\n230.0 6.000E-19 1.000\n235.0 5.000E-19 1.000\n240.0 4.000E-19 1.000\n245.0 3.250E-19 1.000\n250.0 2.500E-19 1.000\n255.0 1.750E-19 1.000\n260.0 9.000E-20 1.000\n265.0 6.000E-20 1.000\n270.0 3.000E-20 1.000\n275.0 1.500E-20 1.000\n280.0 9.000E-21 1.000\n285.0 6.000E-21 1.000\n290.0 4.500E-21 1.000\n295.0 3.000E-21 1.000\n300.0 1.500E-21 1.000\n305.0 9.000E-22 1.000\n310.0 6.500E-22 1.000\n315.0 4.000E-22 1.000\n320.0 1.750E-22 1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/MBC2_BLIDE98", "content": "MBC2_BLIDE98\n! CHBRCL2 + HV = BR\n! CHBRCL2 Photolysis data \n! Supplied by Brett Gantt\n! Created from Bilde et al. J Phys Chem A 1998 (Figure 9 at 298K)\nPoints (these data can be treated as point values)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n210.0 7.000E-19 1.000\n215.0 7.250E-19 1.000\n220.0 7.500E-19 1.000\n225.0 6.500E-19 1.000\n230.0 6.000E-19 1.000\n235.0 5.000E-19 1.000\n240.0 4.000E-19 1.000\n245.0 3.250E-19 1.000\n250.0 2.500E-19 1.000\n255.0 1.750E-19 1.000\n260.0 9.000E-20 1.000\n265.0 6.000E-20 1.000\n270.0 3.000E-20 1.000\n275.0 1.500E-20 1.000\n280.0 9.000E-21 1.000\n285.0 6.000E-21 1.000\n290.0 4.500E-21 1.000\n295.0 3.000E-21 1.000\n300.0 1.500E-21 1.000\n305.0 9.000E-22 1.000\n310.0 6.500E-22 1.000\n315.0 4.000E-22 1.000\n320.0 1.750E-22 1.000" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/MEK-06", "content": "MEK-06 \n! MEK absorption cross sections \n! IUPAC Subcommittee on Gas Kinetic Data Evaluation Data Sheet P8 \n! This datasheet updated: 5th December 2005. \n! Website: http://www.iupac-kinetic.ch.cam.ac.uk/. \n! \nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n202.0 1.412E-20 1.0000\n206.0 1.920E-21 1.0000\n210.0 1.600E-21 1.0000\n214.0 1.830E-21 1.0000\n218.0 2.250E-21 1.0000\n222.0 2.900E-21 1.0000\n226.0 3.910E-21 1.0000\n230.0 5.340E-21 1.0000\n234.0 7.420E-21 1.0000\n238.0 1.029E-20 1.0000\n242.0 1.410E-20 1.0000\n246.0 1.886E-20 1.0000\n250.0 2.450E-20 1.0000\n254.0 3.090E-20 1.0000\n258.0 3.740E-20 1.0000\n262.0 4.390E-20 1.0000\n266.0 4.960E-20 1.0000\n270.0 5.400E-20 1.0000\n274.0 5.680E-20 1.0000\n278.0 5.770E-20 1.0000\n280.0 5.740E-20 1.0000\n281.0 5.720E-20 1.0000\n282.0 5.680E-20 1.0000\n283.0 5.620E-20 1.0000\n284.0 5.540E-20 1.0000\n285.0 5.440E-20 1.0000\n286.0 5.350E-20 1.0000\n287.0 5.260E-20 1.0000\n288.0 5.170E-20 1.0000\n289.0 5.060E-20 1.0000\n290.0 4.940E-20 1.0000\n291.0 4.780E-20 1.0000\n292.0 4.600E-20 1.0000\n293.0 4.420E-20 1.0000\n294.0 4.240E-20 1.0000\n295.0 4.080E-20 1.0000\n296.0 3.930E-20 1.0000\n297.0 3.790E-20 1.0000\n298.0 3.650E-20 1.0000\n299.0 3.480E-20 1.0000\n300.0 3.300E-20 1.0000\n301.0 3.100E-20 1.0000\n302.0 2.890E-20 1.0000\n303.0 2.690E-20 1.0000\n304.0 2.500E-20 1.0000\n305.0 2.330E-20 1.0000\n306.0 2.170E-20 1.0000\n307.0 2.020E-20 1.0000\n308.0 1.876E-20 1.0000\n309.0 1.727E-20 1.0000\n310.0 1.575E-20 1.0000\n311.0 1.423E-20 1.0000\n312.0 1.276E-20 1.0000\n313.0 1.136E-20 1.0000\n314.0 1.009E-20 1.0000\n315.0 8.960E-21 1.0000\n316.0 7.940E-21 1.0000\n317.0 6.970E-21 1.0000\n318.0 6.110E-21 1.0000\n319.0 5.310E-21 1.0000\n320.0 4.570E-21 1.0000\n321.0 3.890E-21 1.0000\n322.0 3.280E-21 1.0000\n323.0 2.760E-21 1.0000\n324.0 2.290E-21 1.0000\n325.0 1.890E-21 1.0000\n326.0 1.560E-21 1.0000\n327.0 1.290E-21 1.0000\n328.0 1.050E-21 1.0000\n329.0 8.500E-22 1.0000\n330.0 6.700E-22 1.0000\n331.0 5.400E-22 1.0000\n332.0 4.200E-22 1.0000\n333.0 3.300E-22 1.0000\n334.0 2.500E-22 1.0000\n335.0 2.000E-22 1.0000\n336.0 1.400E-22 1.0000\n337.0 1.100E-22 1.0000\n338.0 8.000E-23 1.0000\n339.0 7.000E-23 1.0000\n340.0 5.000E-23 1.0000\n341.0 5.000E-23 1.0000\n342.0 3.000E-23 1.0000\n343.0 3.000E-23 1.0000\n344.0 2.000E-23 1.0000\n345.0 1.000E-23 1.0000\n346.0 1.000E-23 1.0000\n347.0 0.000E+00 1.0000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/MEK_06", "content": "MEK-06 \n! MEK absorption cross sections \n! IUPAC Subcommittee on Gas Kinetic Data Evaluation Data Sheet P8 \n! This datasheet updated: 5th December 2005. \n! Website: http://www.iupac-kinetic.ch.cam.ac.uk/. \n! \nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n202.0 1.412E-20 1.0000\n206.0 1.920E-21 1.0000\n210.0 1.600E-21 1.0000\n214.0 1.830E-21 1.0000\n218.0 2.250E-21 1.0000\n222.0 2.900E-21 1.0000\n226.0 3.910E-21 1.0000\n230.0 5.340E-21 1.0000\n234.0 7.420E-21 1.0000\n238.0 1.029E-20 1.0000\n242.0 1.410E-20 1.0000\n246.0 1.886E-20 1.0000\n250.0 2.450E-20 1.0000\n254.0 3.090E-20 1.0000\n258.0 3.740E-20 1.0000\n262.0 4.390E-20 1.0000\n266.0 4.960E-20 1.0000\n270.0 5.400E-20 1.0000\n274.0 5.680E-20 1.0000\n278.0 5.770E-20 1.0000\n280.0 5.740E-20 1.0000\n281.0 5.720E-20 1.0000\n282.0 5.680E-20 1.0000\n283.0 5.620E-20 1.0000\n284.0 5.540E-20 1.0000\n285.0 5.440E-20 1.0000\n286.0 5.350E-20 1.0000\n287.0 5.260E-20 1.0000\n288.0 5.170E-20 1.0000\n289.0 5.060E-20 1.0000\n290.0 4.940E-20 1.0000\n291.0 4.780E-20 1.0000\n292.0 4.600E-20 1.0000\n293.0 4.420E-20 1.0000\n294.0 4.240E-20 1.0000\n295.0 4.080E-20 1.0000\n296.0 3.930E-20 1.0000\n297.0 3.790E-20 1.0000\n298.0 3.650E-20 1.0000\n299.0 3.480E-20 1.0000\n300.0 3.300E-20 1.0000\n301.0 3.100E-20 1.0000\n302.0 2.890E-20 1.0000\n303.0 2.690E-20 1.0000\n304.0 2.500E-20 1.0000\n305.0 2.330E-20 1.0000\n306.0 2.170E-20 1.0000\n307.0 2.020E-20 1.0000\n308.0 1.876E-20 1.0000\n309.0 1.727E-20 1.0000\n310.0 1.575E-20 1.0000\n311.0 1.423E-20 1.0000\n312.0 1.276E-20 1.0000\n313.0 1.136E-20 1.0000\n314.0 1.009E-20 1.0000\n315.0 8.960E-21 1.0000\n316.0 7.940E-21 1.0000\n317.0 6.970E-21 1.0000\n318.0 6.110E-21 1.0000\n319.0 5.310E-21 1.0000\n320.0 4.570E-21 1.0000\n321.0 3.890E-21 1.0000\n322.0 3.280E-21 1.0000\n323.0 2.760E-21 1.0000\n324.0 2.290E-21 1.0000\n325.0 1.890E-21 1.0000\n326.0 1.560E-21 1.0000\n327.0 1.290E-21 1.0000\n328.0 1.050E-21 1.0000\n329.0 8.500E-22 1.0000\n330.0 6.700E-22 1.0000\n331.0 5.400E-22 1.0000\n332.0 4.200E-22 1.0000\n333.0 3.300E-22 1.0000\n334.0 2.500E-22 1.0000\n335.0 2.000E-22 1.0000\n336.0 1.400E-22 1.0000\n337.0 1.100E-22 1.0000\n338.0 8.000E-23 1.0000\n339.0 7.000E-23 1.0000\n340.0 5.000E-23 1.0000\n341.0 5.000E-23 1.0000\n342.0 3.000E-23 1.0000\n343.0 3.000E-23 1.0000\n344.0 2.000E-23 1.0000\n345.0 1.000E-23 1.0000\n346.0 1.000E-23 1.0000\n347.0 0.000E+00 1.0000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/MEK_JGR19", "content": "MEK_JGR19\n! MEK = 0.10*MO2 + ETHP + 0.9*ACO3 + 0.1*CO \n! Absorption x-section composition of three ketobe from Brewer et al., 2019\n! Brewer,J.F. Papanastasiou,D.K.,Burkholder,J.B.,Fischer,E.V.,Ren,Y.,Mellouki,A.,Ravishankara,A.R.(2019).\n! Atmospheric photolysis of methyl ethyl, diethyl, and propyl ethylketones: Temperature-dependent\n! UV absorption cross sections. Journal of Geophysical Research: Atmospheres,124, 5906-5918.\n! https://doi.org/10.1029/2019JD030391\n! Absorption x-section from Brewer et al., 2019 \n! Quantum yield from \n! 1) W.H. Raben, G.K. Moortgat, in: J. Baker (Ed.), Progress and Problems in Atmospheric Chemistry, \n! World Scientific, Singapore, 1996, pp. 318-373 \n! 2) IUPAC datasheet P8 (5th December 2005)\n! Supplied by Drs. William Stockwell and Emily Saunders, reformatted by Dr. Golam Sarwar to make it compatible with CMAQ\nPoints \n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n200\t2.92E-20\t0.34\n201\t1.46E-20\t0.34\n202\t9.60E-21\t0.34\n203\t4.68E-21\t0.34\n204\t2.42E-21\t0.34\n205\t1.89E-21\t0.34\n206\t1.70E-21\t0.34\n207\t1.62E-21\t0.34\n208\t1.56E-21\t0.34\n209\t1.54E-21\t0.34\n210\t1.53E-21\t0.34\n211\t1.51E-21\t0.34\n212\t1.55E-21\t0.34\n213\t1.60E-21\t0.34\n214\t1.69E-21\t0.34\n215\t1.77E-21\t0.34\n216\t1.82E-21\t0.34\n217\t1.89E-21\t0.34\n218\t1.98E-21\t0.34\n219\t2.10E-21\t0.34\n220\t2.25E-21\t0.34\n221\t2.41E-21\t0.34\n222\t2.60E-21\t0.34\n223\t2.81E-21\t0.34\n224\t3.04E-21\t0.34\n225\t3.32E-21\t0.34\n226\t3.62E-21\t0.34\n227\t3.96E-21\t0.34\n228\t4.32E-21\t0.34\n229\t4.72E-21\t0.34\n230\t5.17E-21\t0.34\n231\t5.65E-21\t0.34\n232\t6.18E-21\t0.34\n233\t6.75E-21\t0.34\n234\t7.38E-21\t0.34\n235\t8.06E-21\t0.34\n236\t8.79E-21\t0.34\n237\t9.59E-21\t0.34\n238\t1.04E-20\t0.34\n239\t1.13E-20\t0.34\n240\t1.23E-20\t0.34\n241\t1.33E-20\t0.34\n242\t1.44E-20\t0.34\n243\t1.56E-20\t0.34\n244\t1.68E-20\t0.34\n245\t1.80E-20\t0.34\n246\t1.94E-20\t0.34\n247\t2.08E-20\t0.34\n248\t2.22E-20\t0.34\n249\t2.36E-20\t0.34\n250\t2.51E-20\t0.34\n251\t2.66E-20\t0.34\n252\t2.83E-20\t0.34\n253\t3.00E-20\t0.34\n254\t3.16E-20\t0.34\n255\t3.32E-20\t0.34\n256\t3.48E-20\t0.34\n257\t3.64E-20\t0.34\n258\t3.81E-20\t0.34\n259\t3.98E-20\t0.34\n260\t4.16E-20\t0.34\n261\t4.32E-20\t0.34\n262\t4.46E-20\t0.34\n263\t4.59E-20\t0.34\n264\t4.72E-20\t0.34\n265\t4.87E-20\t0.34\n266\t5.01E-20\t0.34\n267\t5.16E-20\t0.34\n268\t5.28E-20\t0.34\n269\t5.37E-20\t0.34\n270\t5.45E-20\t0.34\n271\t5.51E-20\t0.34\n272\t5.58E-20\t0.34\n273\t5.65E-20\t0.34\n274\t5.72E-20\t0.34\n275\t5.77E-20\t0.34\n276\t5.80E-20\t0.34\n277\t5.80E-20\t0.34\n278\t5.79E-20\t0.34\n279\t5.77E-20\t0.34\n280\t5.75E-20\t0.34\n281\t5.72E-20\t0.34\n282\t5.67E-20\t0.34\n283\t5.61E-20\t0.34\n284\t5.52E-20\t0.34\n285\t5.43E-20\t0.34\n286\t5.33E-20\t0.34\n287\t5.23E-20\t0.34\n288\t5.14E-20\t0.34\n289\t5.03E-20\t0.34\n290\t4.91E-20\t0.34\n291\t4.75E-20\t0.34\n292\t4.58E-20\t0.34\n293\t4.39E-20\t0.34\n294\t4.21E-20\t0.34\n295\t4.05E-20\t0.34\n296\t3.90E-20\t0.34\n297\t3.76E-20\t0.34\n298\t3.61E-20\t0.34\n299\t3.45E-20\t0.34\n300\t3.27E-20\t0.34\n301\t3.07E-20\t0.34\n302\t2.86E-20\t0.34\n303\t2.66E-20\t0.34\n304\t2.48E-20\t0.34\n305\t2.30E-20\t0.34\n306\t2.15E-20\t0.34\n307\t2.00E-20\t0.34\n308\t1.85E-20\t0.34\n309\t1.71E-20\t0.34\n310\t1.56E-20\t0.34\n311\t1.41E-20\t0.34\n312\t1.26E-20\t0.34\n313\t1.12E-20\t0.34\n314\t9.99E-21\t0.34\n315\t8.86E-21\t0.34\n316\t7.84E-21\t0.34\n317\t6.89E-21\t0.34\n318\t6.03E-21\t0.34\n319\t5.24E-21\t0.34\n320\t4.50E-21\t0.34\n321\t3.83E-21\t0.34\n322\t3.23E-21\t0.34\n323\t2.71E-21\t0.34\n324\t2.26E-21\t0.34\n325\t1.87E-21\t0.34\n326\t1.54E-21\t0.34\n327\t1.26E-21\t0.34\n328\t1.03E-21\t0.34\n329\t8.32E-22\t0.34\n330\t6.70E-22\t0.34\n331\t5.38E-22\t0.34\n332\t4.25E-22\t0.34\n333\t3.44E-22\t0.34\n334\t2.71E-22\t0.34\n335\t2.19E-22\t0.34\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/MEK_MCMv32", "content": "MEK_MCMv32\n!CH3C(O)C2H5 (2-butanone, methyl ethyl ketone (MEK)) photolysis cross-sections @ 1 bar, 298 K\n!MEK --> CH3CO + C2H5 \n!\n!IUPAC 2005 Recommendation\n!http://iupac.pole-ether.fr/htdocs/datasheets/pdf/P8_CH3COC2H5+hv.pdf\n!Dated Dec. 2005 \n! Cross-Section: \n! R. D. Martinez, A. A. Buitrago, N. W. Howell, C. H. Hearn, and J. A. Joens, Atmos. Env. 26A, 785 (1992) \n!\n! Photolysis QY (CH3CO + C2H5): \n! Average of the optimised QY used in the evaluation of the MCM and SAPRC-99 using chamber data: \n! phi1 (CH3CO + C2H5) = 0.16 from 275 to 380 nm (1 bar, 298K) based on MCM \n! evaluation against chamber experiments for ozone (Pinho et al., 2005) but \n! IUPAC 2005 recommendation set phi1 equal to 0.34 from 275 to 380 nm.!\n!\n! 1. Carter, 2000. Documentation of the SAPRC-99\n! chemical mechanism for VOC reactivity assessment. Final\n! Report to California Air Resources Board Contract 92-329\n! and Contract 95-308, Air Pollution Research Center and\n! College of Engineering Center for Environmental Research\n! and Technology University of California Riverside,\n! California.\n! 2. Pinho et al., Atmos Env, 39(7), 1303-1322 (2005)\n!\n!wvl(nm) XC(cm2) phi1\nPoints (the mechanism evaluated with this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n202.0 1.41E-20 0.1600\n206.0 1.92E-21 0.1600\n210.0 1.60E-21 0.1600\n214.0 1.83E-21 0.1600\n218.0 2.25E-21 0.1600\n222.0 2.90E-21 0.1600\n226.0 3.91E-21 0.1600\n230.0 5.34E-21 0.1600\n234.0 7.42E-21 0.1600\n238.0 1.03E-20 0.1600\n242.0 1.41E-20 0.1600\n246.0 1.89E-20 0.1600\n250.0 2.45E-20 0.1600\n254.0 3.09E-20 0.1600\n258.0 3.74E-20 0.1600\n262.0 4.39E-20 0.1600\n266.0 4.96E-20 0.1600\n270.0 5.40E-20 0.1600\n274.0 5.68E-20 0.1600\n278.0 5.77E-20 0.1600\n280.0 5.74E-20 0.1600\n281.0 5.72E-20 0.1600\n282.0 5.68E-20 0.1600\n283.0 5.62E-20 0.1600\n284.0 5.54E-20 0.1600\n285.0 5.44E-20 0.1600\n286.0 5.35E-20 0.1600\n287.0 5.26E-20 0.1600\n288.0 5.17E-20 0.1600\n289.0 5.06E-20 0.1600\n292.0 4.60E-20 0.1600\n293.0 4.42E-20 0.1600\n294.0 4.24E-20 0.1600\n295.0 4.08E-20 0.1600\n296.0 3.93E-20 0.1600\n297.0 3.79E-20 0.1600\n298.0 3.65E-20 0.1600\n299.0 3.48E-20 0.1600\n300.0 3.30E-20 0.1600\n301.0 3.10E-20 0.1600\n302.0 2.89E-20 0.1600\n303.0 2.69E-20 0.1600\n304.0 2.50E-20 0.1600\n305.0 2.33E-20 0.1600\n306.0 2.17E-20 0.1600\n307.0 2.02E-20 0.1600\n308.0 1.88E-20 0.1600\n309.0 1.73E-20 0.1600\n310.0 1.58E-20 0.1600\n311.0 1.42E-20 0.1600\n312.0 1.28E-20 0.1600\n313.0 1.14E-20 0.1600\n314.0 1.01E-20 0.1600\n315.0 8.96E-21 0.1600\n316.0 7.94E-21 0.1600\n317.0 6.97E-21 0.1600\n318.0 6.11E-21 0.1600\n319.0 5.31E-21 0.1600\n320.0 4.57E-21 0.1600\n321.0 3.89E-21 0.1600\n324.0 2.29E-21 0.1600\n325.0 1.89E-21 0.1600\n326.0 1.56E-21 0.1600\n327.0 1.29E-21 0.1600\n328.0 1.05E-21 0.1600\n329.0 8.50E-22 0.1600\n330.0 6.70E-22 0.1600\n331.0 5.40E-22 0.1600\n332.0 4.20E-22 0.1600\n333.0 3.30E-22 0.1600\n334.0 2.50E-22 0.1600\n335.0 2.00E-22 0.1600\n336.0 1.40E-22 0.1600\n337.0 1.10E-22 0.1600\n338.0 8.00E-23 0.1600\n339.0 7.00E-23 0.1600\n340.0 5.00E-23 0.1600\n341.0 5.00E-23 0.1600\n342.0 3.00E-23 0.1600\n343.0 3.00E-23 0.1600\n344.0 2.00E-23 0.1600\n345.0 1.00E-23 0.1600\n346.0 1.00E-23 0.1600\n347.0 0.00E+00 0.1600\n348.0 1.00E-23 0.1600\n349.0 0.00E+00 0.1600\n350.0 0.00E+00 0.1600\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/MEK_RACM2", "content": "MEK_RACM2\n! MEK = 0.50*MO2 + 0.50*ETHP + ACO3\n! Absorption x-section from Yujing and Mellouki, 2000 \n! Quantum yield from W.H. Raben, G.K. Moortgat, in: J. Baker (Ed.), Progress and Problems in Atmospheric Chemistry, World Scientific, Singapore, 1996, pp. 318-373 \n! Supplied by Dr. Wendy Goliff, reformatted by Dr. Golam Sarwar to make it compatible with CMAQ\nPoints \n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n186.1 0.000E+00 1.000\n187.8 0.000E+00 1.000\n189.6 0.000E+00 1.000\n191.4 0.000E+00 1.000\n193.3 0.000E+00 1.000\n195.2 0.000E+00 1.000\n197.1 0.000E+00 1.000\n199.0 0.000E+00 1.000\n201.0 0.000E+00 1.000\n203.1 0.000E+00 1.000\n205.2 0.000E+00 1.000\n207.3 0.000E+00 1.000\n209.4 0.000E+00 1.000\n211.7 0.000E+00 1.000\n213.9 0.000E+00 1.000\n216.2 0.000E+00 1.000\n218.6 0.000E+00 1.000\n221.0 0.000E+00 1.000\n223.5 0.000E+00 1.000\n226.0 0.000E+00 1.000\n228.6 0.000E+00 1.000\n231.3 0.000E+00 1.000\n234.0 0.000E+00 1.000\n236.7 0.000E+00 1.000\n239.6 0.113E-19 1.000\n242.5 0.144E-19 1.000\n245.4 0.179E-19 1.000\n248.5 0.221E-19 1.000\n251.6 0.265E-19 1.000\n254.8 0.320E-19 1.000\n258.2 0.367E-19 1.000\n261.5 0.422E-19 1.000\n265.0 0.465E-19 1.000\n268.5 0.511E-19 1.000\n272.2 0.533E-19 1.000\n275.9 0.561E-19 1.000\n279.8 0.562E-19 1.000\n283.7 0.544E-19 1.000\n287.8 0.507E-19 1.000\n292.0 0.457E-19 1.000\n296.3 0.389E-19 1.000\n300.5 0.318E-19 1.000\n303.0 0.269E-19 1.000\n304.0 0.250E-19 1.000\n305.0 0.232E-19 1.000\n306.0 0.217E-19 1.000\n307.0 0.202E-19 1.000\n308.0 0.182E-19 1.000\n309.0 0.173E-19 1.000\n310.0 0.158E-19 1.000\n311.0 0.143E-19 1.000\n312.0 0.128E-19 1.000\n313.0 0.114E-19 1.000\n314.0 0.101E-19 1.000\n316.0 0.790E-20 1.000\n320.0 0.439E-20 1.000\n325.0 0.176E-20 1.000\n330.0 0.610E-21 1.000\n335.0 0.160E-21 1.000\n340.0 0.000E+00 1.000\n345.0 0.000E+00 1.000\n350.0 0.000E+00 1.000\n355.0 0.000E+00 1.000\n360.0 0.000E+00 1.000\n365.0 0.000E+00 1.000\n370.0 0.000E+00 1.000\n375.0 0.000E+00 1.000\n380.0 0.000E+00 1.000\n385.0 0.000E+00 1.000\n390.0 0.000E+00 1.000\n395.0 0.000E+00 1.000\n400.0 0.000E+00 1.000\n405.0 0.000E+00 1.000\n410.0 0.000E+00 1.000\n415.0 0.000E+00 1.000\n420.0 0.000E+00 1.000\n425.0 0.000E+00 1.000\n430.0 0.000E+00 1.000\n435.0 0.000E+00 1.000\n440.0 0.000E+00 1.000\n445.0 0.000E+00 1.000\n450.0 0.000E+00 1.000\n455.0 0.000E+00 1.000\n460.0 0.000E+00 1.000\n465.0 0.000E+00 1.000\n470.0 0.000E+00 1.000\n475.0 0.000E+00 1.000\n480.0 0.000E+00 1.000\n485.0 0.000E+00 1.000\n490.0 0.000E+00 1.000\n495.0 0.000E+00 1.000\n500.0 0.000E+00 1.000\n505.0 0.000E+00 1.000\n510.0 0.000E+00 1.000\n515.0 0.000E+00 1.000\n520.0 0.000E+00 1.000\n525.0 0.000E+00 1.000\n530.0 0.000E+00 1.000\n535.0 0.000E+00 1.000\n540.0 0.000E+00 1.000\n545.0 0.000E+00 1.000\n550.0 0.000E+00 1.000\n555.0 0.000E+00 1.000\n560.0 0.000E+00 1.000\n565.0 0.000E+00 1.000\n570.0 0.000E+00 1.000\n575.0 0.000E+00 1.000\n580.0 0.000E+00 1.000\n585.0 0.000E+00 1.000\n590.0 0.000E+00 1.000\n595.0 0.000E+00 1.000\n600.0 0.000E+00 1.000\n605.0 0.000E+00 1.000\n610.0 0.000E+00 1.000\n615.0 0.000E+00 1.000\n620.0 0.000E+00 1.000\n625.0 0.000E+00 1.000\n630.0 0.000E+00 1.000\n635.0 0.000E+00 1.000\n640.0 0.000E+00 1.000\n644.8 0.000E+00 1.000\n651.0 0.000E+00 1.000\n660.0 0.000E+00 1.000\n670.0 0.000E+00 1.000\n680.0 0.000E+00 1.000\n690.0 0.000E+00 1.000\n700.0 0.000E+00 1.000\n710.0 0.000E+00 1.000\n720.0 0.000E+00 1.000\n730.0 0.000E+00 1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/MEPX_IUPAC10", "content": "MEPX_IUPAC10\n! j(MEPX) IUPAC(2010) CH3OOH \n! MEPX = MEO2 + RO2 + OH \n! From IUPAC Subcommittee on Gas Kinetic Data Evaluation \n! Data Sheet P12, updated 16th May, 2002 \n!These are point values \nBegining (the mechanism evaluated with this format)\n!WL(nm) XSEC(cm2) QY\nFAC=1.0\n210.0 3.120E-19 1.000\n215.0 2.090E-19 1.000\n220.0 1.540E-19 1.000\n225.0 1.220E-19 1.000\n230.0 9.620E-20 1.000\n235.0 7.610E-20 1.000\n240.0 6.050E-20 1.000\n245.0 4.880E-20 1.000\n250.0 3.980E-20 1.000\n255.0 3.230E-20 1.000\n260.0 2.560E-20 1.000\n265.0 2.110E-20 1.000\n270.0 1.700E-20 1.000\n275.0 1.390E-20 1.000\n280.0 1.090E-20 1.000\n285.0 8.630E-21 1.000\n290.0 6.910E-21 1.000\n295.0 5.510E-21 1.000\n300.0 4.130E-21 1.000\n305.0 3.130E-21 1.000\n310.0 2.390E-21 1.000\n315.0 1.820E-21 1.000\n320.0 1.370E-21 1.000\n325.0 1.050E-21 1.000\n330.0 7.900E-22 1.000\n335.0 6.100E-22 1.000\n340.0 4.700E-22 1.000\n345.0 3.500E-22 1.000\n350.0 2.700E-22 1.000\n355.0 2.100E-22 1.000\n360.0 1.600E-22 1.000\n365.0 1.200E-22 1.000\n366.0 0.000E+00 1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/MGLY-06", "content": "MGLY-06 \n! CH3COCHO + HV = CH3CO. + HCO. \n! IUPAC Subcommittee on Gas Kinetic Data Evaluation Data Sheet P6 \n! This datasheet updated: 16th January 2003. \n! Website: http://www.iupac-kinetic.ch.cam.ac.uk/. \n! Quantum yield calculated from the expression given for 472 torr N2. \n! This \"pressure\" adjustment was made so the calculated photlysis rates \n! for solar conditions would agree with the data of Klotz et al (2000) \n! for the Euphore outdoor chamber. \n! \nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n280.0 4.877E-20 0.9840\n285.0 4.719E-20 0.9770\n290.0 4.838E-20 0.9680\n295.0 4.362E-20 0.9560\n300.0 3.754E-20 0.9410\n305.0 3.361E-20 0.9220\n310.0 2.365E-20 0.8970\n315.0 1.891E-20 0.8670\n320.0 1.511E-20 0.8320\n325.0 9.380E-21 0.7900\n330.0 6.520E-21 0.7430\n335.0 4.820E-21 0.6920\n340.0 3.230E-21 0.6370\n345.0 3.000E-21 0.5790\n350.0 3.940E-21 0.5220\n355.0 5.600E-21 0.4650\n360.0 6.950E-21 0.4110\n365.0 1.077E-20 0.3600\n370.0 1.475E-20 0.3130\n375.0 1.911E-20 0.2710\n380.0 2.429E-20 0.2340\n385.0 3.221E-20 0.2000\n390.0 4.029E-20 0.1650\n395.0 4.732E-20 0.1380\n400.0 5.664E-20 0.1150\n401.0 5.900E-20 0.1110\n402.0 6.070E-20 0.1070\n403.0 6.350E-20 0.1040\n404.0 6.540E-20 0.1000\n405.0 6.910E-20 0.0970\n406.0 7.200E-20 0.0930\n407.0 7.580E-20 0.0900\n408.0 7.940E-20 0.0870\n409.0 8.120E-20 0.0840\n410.0 8.520E-20 0.0820\n411.0 8.630E-20 0.0790\n412.0 9.070E-20 0.0760\n413.0 9.370E-20 0.0740\n414.0 9.620E-20 0.0710\n415.0 9.680E-20 0.0690\n416.0 9.710E-20 0.0670\n417.0 1.004E-19 0.0650\n418.0 1.007E-19 0.0630\n419.0 1.012E-19 0.0610\n420.0 1.021E-19 0.0590\n421.0 1.034E-19 0.0570\n422.0 1.051E-19 0.0550\n423.0 1.045E-19 0.0530\n424.0 1.015E-19 0.0520\n425.0 1.034E-19 0.0500\n426.0 1.024E-19 0.0490\n427.0 9.840E-20 0.0470\n428.0 1.001E-19 0.0460\n429.0 9.940E-20 0.0440\n430.0 1.041E-19 0.0430\n431.0 1.053E-19 0.0420\n432.0 9.790E-20 0.0400\n433.0 1.064E-19 0.0390\n434.0 1.054E-19 0.0380\n435.0 1.081E-19 0.0370\n436.0 1.113E-19 0.0360\n437.0 9.990E-20 0.0350\n438.0 1.059E-19 0.0340\n439.0 1.101E-19 0.0330\n440.0 9.940E-20 0.0320\n441.0 1.039E-19 0.0310\n442.0 1.020E-19 0.0300\n443.0 1.017E-19 0.0290\n444.0 1.117E-19 0.0280\n445.0 9.610E-20 0.0280\n446.0 8.900E-20 0.0270\n447.0 9.840E-20 0.0260\n448.0 9.180E-20 0.0250\n449.0 1.013E-19 0.0250\n450.0 8.670E-20 0.0240\n451.0 6.340E-20 0.0230\n452.0 6.330E-20 0.0230\n453.0 6.080E-20 0.0220\n454.0 4.460E-20 0.0210\n455.0 3.690E-20 0.0210\n456.0 3.080E-20 0.0200\n457.0 2.460E-20 0.0200\n458.0 1.810E-20 0.0190\n459.0 1.280E-20 0.0190\n460.0 9.140E-21 0.0180\n461.0 7.950E-21 0.0180\n462.0 6.420E-21 0.0170\n463.0 4.790E-21 0.0170\n464.0 3.320E-21 0.0160\n465.0 2.680E-21 0.0160\n466.0 2.270E-21 0.0160\n467.0 1.870E-21 0.0150\n468.0 1.600E-21 0.0150\n469.0 1.330E-21 0.0140\n470.0 1.080E-21 0.0140\n471.0 9.900E-22 0.0140\n472.0 8.900E-22 0.0130\n473.0 7.700E-22 0.0130\n474.0 6.700E-22 0.0130\n475.0 6.200E-22 0.0120\n476.0 0.000E+00 0.0120\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/MGLY_06", "content": "MGLY-06 \n! CH3COCHO + HV = CH3CO. + HCO. \n! IUPAC Subcommittee on Gas Kinetic Data Evaluation Data Sheet P6 \n! This datasheet updated: 16th January 2003. \n! Website: http://www.iupac-kinetic.ch.cam.ac.uk/. \n! Quantum yield calculated from the expression given for 472 torr N2. \n! This \"pressure\" adjustment was made so the calculated photlysis rates \n! for solar conditions would agree with the data of Klotz et al (2000) \n! for the Euphore outdoor chamber. \n! \nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n280.0 4.877E-20 0.9840\n285.0 4.719E-20 0.9770\n290.0 4.838E-20 0.9680\n295.0 4.362E-20 0.9560\n300.0 3.754E-20 0.9410\n305.0 3.361E-20 0.9220\n310.0 2.365E-20 0.8970\n315.0 1.891E-20 0.8670\n320.0 1.511E-20 0.8320\n325.0 9.380E-21 0.7900\n330.0 6.520E-21 0.7430\n335.0 4.820E-21 0.6920\n340.0 3.230E-21 0.6370\n345.0 3.000E-21 0.5790\n350.0 3.940E-21 0.5220\n355.0 5.600E-21 0.4650\n360.0 6.950E-21 0.4110\n365.0 1.077E-20 0.3600\n370.0 1.475E-20 0.3130\n375.0 1.911E-20 0.2710\n380.0 2.429E-20 0.2340\n385.0 3.221E-20 0.2000\n390.0 4.029E-20 0.1650\n395.0 4.732E-20 0.1380\n400.0 5.664E-20 0.1150\n401.0 5.900E-20 0.1110\n402.0 6.070E-20 0.1070\n403.0 6.350E-20 0.1040\n404.0 6.540E-20 0.1000\n405.0 6.910E-20 0.0970\n406.0 7.200E-20 0.0930\n407.0 7.580E-20 0.0900\n408.0 7.940E-20 0.0870\n409.0 8.120E-20 0.0840\n410.0 8.520E-20 0.0820\n411.0 8.630E-20 0.0790\n412.0 9.070E-20 0.0760\n413.0 9.370E-20 0.0740\n414.0 9.620E-20 0.0710\n415.0 9.680E-20 0.0690\n416.0 9.710E-20 0.0670\n417.0 1.004E-19 0.0650\n418.0 1.007E-19 0.0630\n419.0 1.012E-19 0.0610\n420.0 1.021E-19 0.0590\n421.0 1.034E-19 0.0570\n422.0 1.051E-19 0.0550\n423.0 1.045E-19 0.0530\n424.0 1.015E-19 0.0520\n425.0 1.034E-19 0.0500\n426.0 1.024E-19 0.0490\n427.0 9.840E-20 0.0470\n428.0 1.001E-19 0.0460\n429.0 9.940E-20 0.0440\n430.0 1.041E-19 0.0430\n431.0 1.053E-19 0.0420\n432.0 9.790E-20 0.0400\n433.0 1.064E-19 0.0390\n434.0 1.054E-19 0.0380\n435.0 1.081E-19 0.0370\n436.0 1.113E-19 0.0360\n437.0 9.990E-20 0.0350\n438.0 1.059E-19 0.0340\n439.0 1.101E-19 0.0330\n440.0 9.940E-20 0.0320\n441.0 1.039E-19 0.0310\n442.0 1.020E-19 0.0300\n443.0 1.017E-19 0.0290\n444.0 1.117E-19 0.0280\n445.0 9.610E-20 0.0280\n446.0 8.900E-20 0.0270\n447.0 9.840E-20 0.0260\n448.0 9.180E-20 0.0250\n449.0 1.013E-19 0.0250\n450.0 8.670E-20 0.0240\n451.0 6.340E-20 0.0230\n452.0 6.330E-20 0.0230\n453.0 6.080E-20 0.0220\n454.0 4.460E-20 0.0210\n455.0 3.690E-20 0.0210\n456.0 3.080E-20 0.0200\n457.0 2.460E-20 0.0200\n458.0 1.810E-20 0.0190\n459.0 1.280E-20 0.0190\n460.0 9.140E-21 0.0180\n461.0 7.950E-21 0.0180\n462.0 6.420E-21 0.0170\n463.0 4.790E-21 0.0170\n464.0 3.320E-21 0.0160\n465.0 2.680E-21 0.0160\n466.0 2.270E-21 0.0160\n467.0 1.870E-21 0.0150\n468.0 1.600E-21 0.0150\n469.0 1.330E-21 0.0140\n470.0 1.080E-21 0.0140\n471.0 9.900E-22 0.0140\n472.0 8.900E-22 0.0130\n473.0 7.700E-22 0.0130\n474.0 6.700E-22 0.0130\n475.0 6.200E-22 0.0120\n476.0 0.000E+00 0.0120\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/MGLY_ABS_SAPRC99", "content": "MGLY_ABS\n! Methyl Glyoxal Absorption Cross Sections\n! SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\n! Created from PhotDat.xls on 29-Jan-2000 10:07\nPoints (the mechanism was evaluated assuming this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n219.0 9.840E-21 1.000\n219.5 1.040E-20 1.000\n220.0 1.060E-20 1.000\n220.5 1.110E-20 1.000\n221.0 1.150E-20 1.000\n221.5 1.180E-20 1.000\n222.0 1.220E-20 1.000\n222.5 1.240E-20 1.000\n223.0 1.260E-20 1.000\n223.5 1.260E-20 1.000\n224.0 1.250E-20 1.000\n224.5 1.240E-20 1.000\n225.0 1.250E-20 1.000\n225.5 1.270E-20 1.000\n226.0 1.270E-20 1.000\n226.5 1.290E-20 1.000\n227.0 1.310E-20 1.000\n227.5 1.320E-20 1.000\n228.0 1.350E-20 1.000\n228.5 1.370E-20 1.000\n229.0 1.400E-20 1.000\n229.5 1.420E-20 1.000\n230.0 1.480E-20 1.000\n230.5 1.530E-20 1.000\n231.0 1.570E-20 1.000\n231.5 1.590E-20 1.000\n232.0 1.610E-20 1.000\n232.5 1.620E-20 1.000\n233.0 1.610E-20 1.000\n233.5 1.680E-20 1.000\n234.0 1.740E-20 1.000\n234.5 1.800E-20 1.000\n235.0 1.840E-20 1.000\n235.5 1.870E-20 1.000\n236.0 1.890E-20 1.000\n236.5 1.910E-20 1.000\n237.0 1.930E-20 1.000\n237.5 1.940E-20 1.000\n238.0 1.960E-20 1.000\n238.5 1.960E-20 1.000\n239.0 2.010E-20 1.000\n239.5 2.040E-20 1.000\n240.0 2.080E-20 1.000\n240.5 2.100E-20 1.000\n241.0 2.140E-20 1.000\n241.5 2.160E-20 1.000\n242.0 2.190E-20 1.000\n242.5 2.200E-20 1.000\n243.0 2.230E-20 1.000\n243.5 2.260E-20 1.000\n244.0 2.280E-20 1.000\n244.5 2.290E-20 1.000\n245.0 2.300E-20 1.000\n245.5 2.320E-20 1.000\n246.0 2.330E-20 1.000\n246.5 2.350E-20 1.000\n247.0 2.380E-20 1.000\n247.5 2.410E-20 1.000\n248.0 2.460E-20 1.000\n248.5 2.510E-20 1.000\n249.0 2.570E-20 1.000\n249.5 2.610E-20 1.000\n250.0 2.650E-20 1.000\n250.5 2.670E-20 1.000\n251.0 2.690E-20 1.000\n251.5 2.690E-20 1.000\n252.0 2.710E-20 1.000\n252.5 2.720E-20 1.000\n253.0 2.730E-20 1.000\n253.5 2.740E-20 1.000\n254.0 2.760E-20 1.000\n254.5 2.780E-20 1.000\n255.0 2.820E-20 1.000\n255.5 2.870E-20 1.000\n256.0 2.930E-20 1.000\n256.5 2.980E-20 1.000\n257.0 3.070E-20 1.000\n257.5 3.120E-20 1.000\n258.0 3.170E-20 1.000\n258.5 3.210E-20 1.000\n259.0 3.260E-20 1.000\n259.5 3.280E-20 1.000\n260.0 3.290E-20 1.000\n260.5 3.310E-20 1.000\n261.0 3.330E-20 1.000\n261.5 3.340E-20 1.000\n262.0 3.360E-20 1.000\n262.5 3.380E-20 1.000\n263.0 3.420E-20 1.000\n263.5 3.440E-20 1.000\n264.0 3.480E-20 1.000\n264.5 3.540E-20 1.000\n265.0 3.590E-20 1.000\n265.5 3.650E-20 1.000\n266.0 3.730E-20 1.000\n266.5 3.800E-20 1.000\n267.0 3.870E-20 1.000\n267.5 3.950E-20 1.000\n268.0 4.020E-20 1.000\n268.5 4.080E-20 1.000\n269.0 4.130E-20 1.000\n269.5 4.170E-20 1.000\n270.0 4.200E-20 1.000\n270.5 4.220E-20 1.000\n271.0 4.220E-20 1.000\n271.5 4.220E-20 1.000\n272.0 4.230E-20 1.000\n272.5 4.240E-20 1.000\n273.0 4.270E-20 1.000\n273.5 4.290E-20 1.000\n274.0 4.310E-20 1.000\n274.5 4.330E-20 1.000\n275.0 4.370E-20 1.000\n275.5 4.420E-20 1.000\n276.0 4.480E-20 1.000\n276.5 4.560E-20 1.000\n277.0 4.640E-20 1.000\n277.5 4.710E-20 1.000\n278.0 4.780E-20 1.000\n278.5 4.830E-20 1.000\n279.0 4.870E-20 1.000\n279.5 4.900E-20 1.000\n280.0 4.920E-20 1.000\n280.5 4.930E-20 1.000\n281.0 4.940E-20 1.000\n281.5 4.920E-20 1.000\n282.0 4.900E-20 1.000\n282.5 4.860E-20 1.000\n283.0 4.830E-20 1.000\n283.5 4.790E-20 1.000\n284.0 4.760E-20 1.000\n284.5 4.720E-20 1.000\n285.0 4.700E-20 1.000\n285.5 4.680E-20 1.000\n286.0 4.660E-20 1.000\n286.5 4.650E-20 1.000\n287.0 4.650E-20 1.000\n287.5 4.680E-20 1.000\n288.0 4.730E-20 1.000\n288.5 4.780E-20 1.000\n289.0 4.840E-20 1.000\n289.5 4.890E-20 1.000\n290.0 4.920E-20 1.000\n290.5 4.920E-20 1.000\n291.0 4.900E-20 1.000\n291.5 4.860E-20 1.000\n292.0 4.810E-20 1.000\n292.5 4.750E-20 1.000\n293.0 4.700E-20 1.000\n293.5 4.650E-20 1.000\n294.0 4.580E-20 1.000\n294.5 4.480E-20 1.000\n295.0 4.380E-20 1.000\n295.5 4.270E-20 1.000\n296.0 4.170E-20 1.000\n296.5 4.070E-20 1.000\n297.0 3.990E-20 1.000\n297.5 3.940E-20 1.000\n298.0 3.880E-20 1.000\n298.5 3.820E-20 1.000\n299.0 3.760E-20 1.000\n299.5 3.720E-20 1.000\n300.0 3.690E-20 1.000\n300.5 3.680E-20 1.000\n301.0 3.700E-20 1.000\n301.5 3.720E-20 1.000\n302.0 3.740E-20 1.000\n302.5 3.740E-20 1.000\n303.0 3.750E-20 1.000\n303.5 3.710E-20 1.000\n304.0 3.620E-20 1.000\n304.5 3.510E-20 1.000\n305.0 3.380E-20 1.000\n305.5 3.250E-20 1.000\n306.0 3.150E-20 1.000\n306.5 3.040E-20 1.000\n307.0 2.920E-20 1.000\n307.5 2.800E-20 1.000\n308.0 2.710E-20 1.000\n308.5 2.630E-20 1.000\n309.0 2.520E-20 1.000\n309.5 2.430E-20 1.000\n310.0 2.340E-20 1.000\n310.5 2.250E-20 1.000\n311.0 2.190E-20 1.000\n311.5 2.120E-20 1.000\n312.0 2.060E-20 1.000\n312.5 2.020E-20 1.000\n313.0 1.960E-20 1.000\n313.5 1.920E-20 1.000\n314.0 1.910E-20 1.000\n314.5 1.880E-20 1.000\n315.0 1.860E-20 1.000\n315.5 1.850E-20 1.000\n316.0 1.860E-20 1.000\n316.5 1.870E-20 1.000\n317.0 1.870E-20 1.000\n317.5 1.870E-20 1.000\n318.0 1.830E-20 1.000\n318.5 1.750E-20 1.000\n319.0 1.690E-20 1.000\n319.5 1.600E-20 1.000\n320.0 1.500E-20 1.000\n320.5 1.410E-20 1.000\n321.0 1.340E-20 1.000\n321.5 1.270E-20 1.000\n322.0 1.210E-20 1.000\n322.5 1.180E-20 1.000\n323.0 1.140E-20 1.000\n323.5 1.080E-20 1.000\n324.0 1.010E-20 1.000\n324.5 9.620E-21 1.000\n325.0 9.280E-21 1.000\n325.5 8.750E-21 1.000\n326.0 8.490E-21 1.000\n326.5 8.210E-21 1.000\n327.0 7.710E-21 1.000\n327.5 7.380E-21 1.000\n328.0 7.180E-21 1.000\n328.5 6.860E-21 1.000\n329.0 6.710E-21 1.000\n329.5 6.630E-21 1.000\n330.0 6.460E-21 1.000\n330.5 6.290E-21 1.000\n331.0 6.210E-21 1.000\n331.5 6.180E-21 1.000\n332.0 6.200E-21 1.000\n332.5 5.490E-21 1.000\n333.0 5.210E-21 1.000\n333.5 5.380E-21 1.000\n334.0 5.350E-21 1.000\n334.5 5.040E-21 1.000\n335.0 4.940E-21 1.000\n335.5 4.900E-21 1.000\n336.0 4.520E-21 1.000\n336.5 4.260E-21 1.000\n337.0 4.110E-21 1.000\n337.5 3.760E-21 1.000\n338.0 3.610E-21 1.000\n338.5 3.580E-21 1.000\n339.0 3.470E-21 1.000\n339.5 3.320E-21 1.000\n340.0 3.220E-21 1.000\n340.5 3.100E-21 1.000\n341.0 3.000E-21 1.000\n341.5 2.940E-21 1.000\n342.0 2.890E-21 1.000\n342.5 2.860E-21 1.000\n343.0 2.880E-21 1.000\n343.5 2.880E-21 1.000\n344.0 2.890E-21 1.000\n344.5 2.910E-21 1.000\n345.0 2.950E-21 1.000\n345.5 3.000E-21 1.000\n346.0 3.080E-21 1.000\n346.5 3.180E-21 1.000\n347.0 3.250E-21 1.000\n347.5 3.300E-21 1.000\n348.0 3.390E-21 1.000\n348.5 3.510E-21 1.000\n349.0 3.630E-21 1.000\n349.5 3.730E-21 1.000\n350.0 3.850E-21 1.000\n350.5 3.990E-21 1.000\n351.0 4.270E-21 1.000\n351.5 4.470E-21 1.000\n352.0 4.630E-21 1.000\n352.5 4.780E-21 1.000\n353.0 4.920E-21 1.000\n353.5 5.070E-21 1.000\n354.0 5.230E-21 1.000\n354.5 5.390E-21 1.000\n355.0 5.560E-21 1.000\n355.5 5.770E-21 1.000\n356.0 5.970E-21 1.000\n356.5 6.150E-21 1.000\n357.0 6.350E-21 1.000\n357.5 6.560E-21 1.000\n358.0 6.760E-21 1.000\n358.5 6.950E-21 1.000\n359.0 7.200E-21 1.000\n359.5 7.440E-21 1.000\n360.0 7.640E-21 1.000\n360.5 7.890E-21 1.000\n361.0 8.150E-21 1.000\n361.5 8.430E-21 1.000\n362.0 8.710E-21 1.000\n362.5 9.020E-21 1.000\n363.0 9.330E-21 1.000\n363.5 9.650E-21 1.000\n364.0 1.000E-20 1.000\n364.5 1.040E-20 1.000\n365.0 1.080E-20 1.000\n365.5 1.110E-20 1.000\n366.0 1.150E-20 1.000\n366.5 1.190E-20 1.000\n367.0 1.230E-20 1.000\n367.5 1.270E-20 1.000\n368.0 1.310E-20 1.000\n368.5 1.350E-20 1.000\n369.0 1.400E-20 1.000\n369.5 1.440E-20 1.000\n370.0 1.470E-20 1.000\n370.5 1.510E-20 1.000\n371.0 1.550E-20 1.000\n371.5 1.590E-20 1.000\n372.0 1.640E-20 1.000\n372.5 1.700E-20 1.000\n373.0 1.730E-20 1.000\n373.5 1.770E-20 1.000\n374.0 1.810E-20 1.000\n374.5 1.860E-20 1.000\n375.0 1.900E-20 1.000\n375.5 1.960E-20 1.000\n376.0 2.020E-20 1.000\n376.5 2.060E-20 1.000\n377.0 2.100E-20 1.000\n377.5 2.140E-20 1.000\n378.0 2.180E-20 1.000\n378.5 2.240E-20 1.000\n379.0 2.300E-20 1.000\n379.5 2.370E-20 1.000\n380.0 2.420E-20 1.000\n380.5 2.470E-20 1.000\n381.0 2.540E-20 1.000\n381.5 2.620E-20 1.000\n382.0 2.690E-20 1.000\n382.5 2.790E-20 1.000\n383.0 2.880E-20 1.000\n383.5 2.960E-20 1.000\n384.0 3.020E-20 1.000\n384.5 3.100E-20 1.000\n385.0 3.200E-20 1.000\n385.5 3.290E-20 1.000\n386.0 3.390E-20 1.000\n386.5 3.510E-20 1.000\n387.0 3.620E-20 1.000\n387.5 3.690E-20 1.000\n388.0 3.700E-20 1.000\n388.5 3.770E-20 1.000\n389.0 3.880E-20 1.000\n389.5 3.970E-20 1.000\n390.0 4.030E-20 1.000\n390.5 4.120E-20 1.000\n391.0 4.220E-20 1.000\n391.5 4.290E-20 1.000\n392.0 4.300E-20 1.000\n392.5 4.380E-20 1.000\n393.0 4.470E-20 1.000\n393.5 4.550E-20 1.000\n394.0 4.560E-20 1.000\n394.5 4.590E-20 1.000\n395.0 4.670E-20 1.000\n395.5 4.800E-20 1.000\n396.0 4.870E-20 1.000\n396.5 4.960E-20 1.000\n397.0 5.080E-20 1.000\n397.5 5.190E-20 1.000\n398.0 5.230E-20 1.000\n398.5 5.390E-20 1.000\n399.0 5.460E-20 1.000\n399.5 5.540E-20 1.000\n400.0 5.590E-20 1.000\n400.5 5.770E-20 1.000\n401.0 5.910E-20 1.000\n401.5 5.990E-20 1.000\n402.0 6.060E-20 1.000\n402.5 6.200E-20 1.000\n403.0 6.350E-20 1.000\n403.5 6.520E-20 1.000\n404.0 6.540E-20 1.000\n404.5 6.640E-20 1.000\n405.0 6.930E-20 1.000\n405.5 7.150E-20 1.000\n406.0 7.190E-20 1.000\n406.5 7.320E-20 1.000\n407.0 7.580E-20 1.000\n407.5 7.880E-20 1.000\n408.0 7.970E-20 1.000\n408.5 7.910E-20 1.000\n409.0 8.110E-20 1.000\n409.5 8.410E-20 1.000\n410.0 8.530E-20 1.000\n410.5 8.590E-20 1.000\n411.0 8.600E-20 1.000\n411.5 8.800E-20 1.000\n412.0 9.040E-20 1.000\n412.5 9.450E-20 1.000\n413.0 9.340E-20 1.000\n413.5 9.370E-20 1.000\n414.0 9.630E-20 1.000\n414.5 9.710E-20 1.000\n415.0 9.700E-20 1.000\n415.5 9.650E-20 1.000\n416.0 9.690E-20 1.000\n416.5 9.890E-20 1.000\n417.0 1.000E-19 1.000\n417.5 1.020E-19 1.000\n418.0 1.000E-19 1.000\n418.5 1.020E-19 1.000\n419.0 1.010E-19 1.000\n419.5 1.010E-19 1.000\n420.0 1.030E-19 1.000\n420.5 1.010E-19 1.000\n421.0 1.040E-19 1.000\n421.5 1.050E-19 1.000\n422.0 1.060E-19 1.000\n422.5 1.040E-19 1.000\n423.0 1.050E-19 1.000\n423.5 1.050E-19 1.000\n424.0 1.010E-19 1.000\n424.5 1.010E-19 1.000\n425.0 1.050E-19 1.000\n425.5 1.030E-19 1.000\n426.0 1.020E-19 1.000\n426.5 1.010E-19 1.000\n427.0 9.770E-20 1.000\n427.5 9.810E-20 1.000\n428.0 1.000E-19 1.000\n428.5 1.020E-19 1.000\n429.0 9.890E-20 1.000\n429.5 9.850E-20 1.000\n430.0 1.040E-19 1.000\n430.5 1.080E-19 1.000\n431.0 1.050E-19 1.000\n431.5 1.020E-19 1.000\n432.0 9.640E-20 1.000\n432.5 1.010E-19 1.000\n433.0 1.060E-19 1.000\n433.5 1.090E-19 1.000\n434.0 1.040E-19 1.000\n434.5 1.030E-19 1.000\n435.0 1.070E-19 1.000\n435.5 1.160E-19 1.000\n436.0 1.090E-19 1.000\n436.5 1.110E-19 1.000\n437.0 9.810E-20 1.000\n437.5 9.710E-20 1.000\n438.0 1.060E-19 1.000\n438.5 1.160E-19 1.000\n439.0 1.080E-19 1.000\n439.5 1.050E-19 1.000\n440.0 9.700E-20 1.000\n440.5 1.010E-19 1.000\n441.0 1.040E-19 1.000\n441.5 1.070E-19 1.000\n442.0 1.020E-19 1.000\n442.5 9.680E-20 1.000\n443.0 1.000E-19 1.000\n443.5 1.140E-19 1.000\n444.0 1.130E-19 1.000\n444.5 1.030E-19 1.000\n445.0 9.740E-20 1.000\n445.5 8.460E-20 1.000\n446.0 8.700E-20 1.000\n446.5 9.970E-20 1.000\n447.0 1.010E-19 1.000\n447.5 9.150E-20 1.000\n448.0 9.410E-20 1.000\n448.5 8.990E-20 1.000\n449.0 1.100E-19 1.000\n449.5 9.120E-20 1.000\n450.0 8.560E-20 1.000\n450.5 8.280E-20 1.000\n451.0 6.150E-20 1.000\n451.5 5.560E-20 1.000\n452.0 6.470E-20 1.000\n452.5 7.270E-20 1.000\n453.0 5.750E-20 1.000\n453.5 5.080E-20 1.000\n454.0 4.380E-20 1.000\n454.5 3.810E-20 1.000\n455.0 3.610E-20 1.000\n455.5 3.610E-20 1.000\n456.0 3.130E-20 1.000\n456.5 2.720E-20 1.000\n457.0 2.440E-20 1.000\n457.5 2.220E-20 1.000\n458.0 1.820E-20 1.000\n458.5 1.430E-20 1.000\n459.0 1.320E-20 1.000\n459.5 1.050E-20 1.000\n460.0 8.950E-21 1.000\n460.5 8.900E-21 1.000\n461.0 7.940E-21 1.000\n461.5 7.040E-21 1.000\n462.0 6.460E-21 1.000\n462.5 5.630E-21 1.000\n463.0 4.780E-21 1.000\n463.5 3.940E-21 1.000\n464.0 3.260E-21 1.000\n464.5 2.970E-21 1.000\n465.0 2.650E-21 1.000\n465.5 2.460E-21 1.000\n466.0 2.270E-21 1.000\n466.5 2.080E-21 1.000\n467.0 1.860E-21 1.000\n467.5 1.760E-21 1.000\n468.0 1.600E-21 1.000\n468.5 1.440E-21 1.000\n469.0 1.340E-21 1.000\n469.5 1.200E-21 1.000\n470.0 1.070E-21 1.000\n470.5 1.020E-21 1.000\n471.0 9.920E-22 1.000\n471.5 9.970E-22 1.000\n472.0 8.870E-22 1.000\n472.5 8.270E-22 1.000\n473.0 7.760E-22 1.000\n473.5 7.150E-22 1.000\n474.0 6.710E-22 1.000\n474.5 6.670E-22 1.000\n475.0 6.100E-22 1.000\n475.5 6.170E-22 1.000\n476.0 5.540E-22 1.000\n476.5 5.220E-22 1.000\n477.0 5.100E-22 1.000\n477.5 5.170E-22 1.000\n478.0 4.800E-22 1.000\n478.5 4.710E-22 1.000\n479.0 4.600E-22 1.000\n479.5 4.350E-22 1.000\n480.0 3.900E-22 1.000\n480.5 3.710E-22 1.000\n481.0 3.620E-22 1.000\n481.5 3.520E-22 1.000\n482.0 3.050E-22 1.000\n482.5 3.050E-22 1.000\n483.0 2.860E-22 1.000\n483.5 2.530E-22 1.000\n484.0 2.750E-22 1.000\n484.5 2.590E-22 1.000\n485.0 2.470E-22 1.000\n485.5 2.360E-22 1.000\n486.0 2.120E-22 1.000\n486.5 1.890E-22 1.000\n487.0 1.930E-22 1.000\n487.5 1.860E-22 1.000\n488.0 1.820E-22 1.000\n488.5 1.750E-22 1.000\n489.0 1.740E-22 1.000\n489.5 1.720E-22 1.000\n490.0 1.660E-22 1.000\n490.5 1.750E-22 1.000\n491.0 1.540E-22 1.000\n491.5 1.740E-22 1.000\n492.0 1.630E-22 1.000\n492.5 1.530E-22 1.000\n493.0 1.520E-22 1.000\n493.5 5.850E-23 1.000\n494.0 0.000E+00 1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/MGLY_ADJ_SAPRC99", "content": "MGLY_ADJ\n! MGLY + HV = PRODUCTS\n! SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\n! Created from PhotDat.xls on 29-Jan-2000 10:07\nPoints (the mechanism was evaluated assuming this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n219.0 9.840E-21 1.000\n219.5 1.040E-20 1.000\n220.0 1.060E-20 1.000\n220.5 1.110E-20 1.000\n221.0 1.150E-20 1.000\n221.5 1.180E-20 1.000\n222.0 1.220E-20 1.000\n222.5 1.240E-20 1.000\n223.0 1.260E-20 1.000\n223.5 1.260E-20 1.000\n224.0 1.250E-20 1.000\n224.5 1.240E-20 1.000\n225.0 1.250E-20 1.000\n225.5 1.270E-20 1.000\n226.0 1.270E-20 1.000\n226.5 1.290E-20 1.000\n227.0 1.310E-20 1.000\n227.5 1.320E-20 1.000\n228.0 1.350E-20 1.000\n228.5 1.370E-20 1.000\n229.0 1.400E-20 1.000\n229.5 1.420E-20 1.000\n230.0 1.480E-20 1.000\n230.5 1.530E-20 1.000\n231.0 1.570E-20 1.000\n231.5 1.590E-20 1.000\n232.0 1.610E-20 1.000\n232.5 1.620E-20 1.000\n233.0 1.610E-20 1.000\n233.5 1.680E-20 1.000\n234.0 1.740E-20 1.000\n234.5 1.800E-20 1.000\n235.0 1.840E-20 1.000\n235.5 1.870E-20 1.000\n236.0 1.890E-20 1.000\n236.5 1.910E-20 1.000\n237.0 1.930E-20 1.000\n237.5 1.940E-20 1.000\n238.0 1.960E-20 1.000\n238.5 1.960E-20 1.000\n239.0 2.010E-20 1.000\n239.5 2.040E-20 1.000\n240.0 2.080E-20 1.000\n240.5 2.100E-20 1.000\n241.0 2.140E-20 1.000\n241.5 2.160E-20 1.000\n242.0 2.190E-20 1.000\n242.5 2.200E-20 1.000\n243.0 2.230E-20 1.000\n243.5 2.260E-20 1.000\n244.0 2.280E-20 1.000\n244.5 2.290E-20 1.000\n245.0 2.300E-20 1.000\n245.5 2.320E-20 1.000\n246.0 2.330E-20 1.000\n246.5 2.350E-20 1.000\n247.0 2.380E-20 1.000\n247.5 2.410E-20 1.000\n248.0 2.460E-20 1.000\n248.5 2.510E-20 1.000\n249.0 2.570E-20 1.000\n249.5 2.610E-20 1.000\n250.0 2.650E-20 1.000\n250.5 2.670E-20 1.000\n251.0 2.690E-20 1.000\n251.5 2.690E-20 1.000\n252.0 2.710E-20 1.000\n252.5 2.720E-20 1.000\n253.0 2.730E-20 1.000\n253.5 2.740E-20 1.000\n254.0 2.760E-20 1.000\n254.5 2.780E-20 1.000\n255.0 2.820E-20 1.000\n255.5 2.870E-20 1.000\n256.0 2.930E-20 1.000\n256.5 2.980E-20 1.000\n257.0 3.070E-20 1.000\n257.5 3.120E-20 1.000\n258.0 3.170E-20 1.000\n258.5 3.210E-20 1.000\n259.0 3.260E-20 1.000\n259.5 3.280E-20 1.000\n260.0 3.290E-20 1.000\n260.5 3.310E-20 1.000\n261.0 3.330E-20 1.000\n261.5 3.340E-20 1.000\n262.0 3.360E-20 1.000\n262.5 3.380E-20 1.000\n263.0 3.420E-20 1.000\n263.5 3.440E-20 1.000\n264.0 3.480E-20 1.000\n264.5 3.540E-20 1.000\n265.0 3.590E-20 1.000\n265.5 3.650E-20 1.000\n266.0 3.730E-20 1.000\n266.5 3.800E-20 1.000\n267.0 3.870E-20 1.000\n267.5 3.950E-20 1.000\n268.0 4.020E-20 1.000\n268.5 4.080E-20 1.000\n269.0 4.130E-20 1.000\n269.5 4.170E-20 1.000\n270.0 4.200E-20 1.000\n270.5 4.220E-20 1.000\n271.0 4.220E-20 1.000\n271.5 4.220E-20 1.000\n272.0 4.230E-20 1.000\n272.5 4.240E-20 1.000\n273.0 4.270E-20 1.000\n273.5 4.290E-20 1.000\n274.0 4.310E-20 1.000\n274.5 4.330E-20 1.000\n275.0 4.370E-20 1.000\n275.5 4.420E-20 1.000\n276.0 4.480E-20 1.000\n276.5 4.560E-20 1.000\n277.0 4.640E-20 1.000\n277.5 4.710E-20 1.000\n278.0 4.780E-20 1.000\n278.5 4.830E-20 1.000\n279.0 4.870E-20 1.000\n279.5 4.900E-20 1.000\n280.0 4.920E-20 1.000\n280.5 4.930E-20 1.000\n281.0 4.940E-20 1.000\n281.5 4.920E-20 1.000\n282.0 4.900E-20 1.000\n282.5 4.860E-20 1.000\n283.0 4.830E-20 1.000\n283.5 4.790E-20 1.000\n284.0 4.760E-20 1.000\n284.5 4.720E-20 1.000\n285.0 4.700E-20 1.000\n285.5 4.680E-20 1.000\n286.0 4.660E-20 1.000\n286.5 4.650E-20 1.000\n287.0 4.650E-20 1.000\n287.5 4.680E-20 1.000\n288.0 4.730E-20 1.000\n288.5 4.780E-20 1.000\n289.0 4.840E-20 1.000\n289.5 4.890E-20 1.000\n290.0 4.920E-20 1.000\n290.5 4.920E-20 1.000\n291.0 4.900E-20 1.000\n291.5 4.860E-20 1.000\n292.0 4.810E-20 1.000\n292.5 4.750E-20 1.000\n293.0 4.700E-20 1.000\n293.5 4.650E-20 1.000\n294.0 4.580E-20 1.000\n294.5 4.480E-20 1.000\n295.0 4.380E-20 1.000\n295.5 4.270E-20 1.000\n296.0 4.170E-20 1.000\n296.5 4.070E-20 1.000\n297.0 3.990E-20 1.000\n297.5 3.940E-20 1.000\n298.0 3.880E-20 1.000\n298.5 3.820E-20 1.000\n299.0 3.760E-20 1.000\n299.5 3.720E-20 1.000\n300.0 3.690E-20 1.000\n300.5 3.680E-20 1.000\n301.0 3.700E-20 1.000\n301.5 3.720E-20 1.000\n302.0 3.740E-20 1.000\n302.5 3.740E-20 1.000\n303.0 3.750E-20 1.000\n303.5 3.710E-20 1.000\n304.0 3.620E-20 1.000\n304.5 3.510E-20 1.000\n305.0 3.380E-20 1.000\n305.5 3.250E-20 1.000\n306.0 3.150E-20 1.000\n306.5 3.040E-20 1.000\n307.0 2.920E-20 1.000\n307.5 2.800E-20 1.000\n308.0 2.710E-20 1.000\n308.5 2.630E-20 1.000\n309.0 2.520E-20 1.000\n309.5 2.430E-20 1.000\n310.0 2.340E-20 1.000\n310.5 2.250E-20 1.000\n311.0 2.190E-20 1.000\n311.5 2.120E-20 1.000\n312.0 2.060E-20 1.000\n312.5 2.020E-20 1.000\n313.0 1.960E-20 1.000\n313.5 1.920E-20 1.000\n314.0 1.910E-20 1.000\n314.5 1.880E-20 1.000\n315.0 1.860E-20 1.000\n315.5 1.850E-20 1.000\n316.0 1.860E-20 1.000\n316.5 1.870E-20 1.000\n317.0 1.870E-20 1.000\n317.5 1.870E-20 1.000\n318.0 1.830E-20 1.000\n318.5 1.750E-20 1.000\n319.0 1.690E-20 1.000\n319.5 1.600E-20 1.000\n320.0 1.500E-20 1.000\n320.5 1.410E-20 1.000\n321.0 1.340E-20 1.000\n321.5 1.270E-20 1.000\n322.0 1.210E-20 1.000\n322.5 1.180E-20 1.000\n323.0 1.140E-20 1.000\n323.5 1.080E-20 1.000\n324.0 1.010E-20 1.000\n324.5 9.620E-21 1.000\n325.0 9.280E-21 1.000\n325.5 8.750E-21 1.000\n326.0 8.490E-21 1.000\n326.5 8.210E-21 1.000\n327.0 7.710E-21 1.000\n327.5 7.380E-21 1.000\n328.0 7.180E-21 1.000\n328.5 6.860E-21 1.000\n329.0 6.710E-21 1.000\n329.5 6.630E-21 1.000\n330.0 6.460E-21 1.000\n330.5 6.290E-21 1.000\n331.0 6.210E-21 1.000\n331.5 6.180E-21 1.000\n332.0 6.200E-21 1.000\n332.5 5.490E-21 1.000\n333.0 5.210E-21 1.000\n333.5 5.380E-21 1.000\n334.0 5.350E-21 1.000\n334.5 5.040E-21 1.000\n335.0 4.940E-21 1.000\n335.5 4.900E-21 1.000\n336.0 4.520E-21 1.000\n336.5 4.260E-21 1.000\n337.0 4.110E-21 1.000\n337.5 3.760E-21 1.000\n338.0 3.610E-21 1.000\n338.5 3.580E-21 1.000\n339.0 3.470E-21 1.000\n339.5 3.320E-21 1.000\n340.0 3.220E-21 1.000\n340.5 3.100E-21 1.000\n341.0 3.000E-21 1.000\n341.5 2.940E-21 1.000\n342.0 2.890E-21 1.000\n342.5 2.860E-21 1.000\n343.0 2.880E-21 1.000\n343.5 2.880E-21 1.000\n344.0 2.890E-21 0.992\n344.5 2.910E-21 0.984\n345.0 2.950E-21 0.976\n345.5 3.000E-21 0.968\n346.0 3.080E-21 0.960\n346.5 3.180E-21 0.953\n347.0 3.250E-21 0.945\n347.5 3.300E-21 0.937\n348.0 3.390E-21 0.929\n348.5 3.510E-21 0.921\n349.0 3.630E-21 0.913\n349.5 3.730E-21 0.905\n350.0 3.850E-21 0.897\n350.5 3.990E-21 0.889\n351.0 4.270E-21 0.881\n351.5 4.470E-21 0.873\n352.0 4.630E-21 0.865\n352.5 4.780E-21 0.858\n353.0 4.920E-21 0.850\n353.5 5.070E-21 0.842\n354.0 5.230E-21 0.834\n354.5 5.390E-21 0.826\n355.0 5.560E-21 0.818\n355.5 5.770E-21 0.810\n356.0 5.970E-21 0.802\n356.5 6.150E-21 0.794\n357.0 6.350E-21 0.786\n357.5 6.560E-21 0.778\n358.0 6.760E-21 0.770\n358.5 6.950E-21 0.763\n359.0 7.200E-21 0.755\n359.5 7.440E-21 0.747\n360.0 7.640E-21 0.739\n360.5 7.890E-21 0.731\n361.0 8.150E-21 0.723\n361.5 8.430E-21 0.715\n362.0 8.710E-21 0.707\n362.5 9.020E-21 0.699\n363.0 9.330E-21 0.691\n363.5 9.650E-21 0.683\n364.0 1.000E-20 0.675\n364.5 1.040E-20 0.668\n365.0 1.080E-20 0.660\n365.5 1.110E-20 0.652\n366.0 1.150E-20 0.644\n366.5 1.190E-20 0.636\n367.0 1.230E-20 0.628\n367.5 1.270E-20 0.620\n368.0 1.310E-20 0.612\n368.5 1.350E-20 0.604\n369.0 1.400E-20 0.596\n369.5 1.440E-20 0.588\n370.0 1.470E-20 0.580\n370.5 1.510E-20 0.573\n371.0 1.550E-20 0.565\n371.5 1.590E-20 0.557\n372.0 1.640E-20 0.549\n372.5 1.700E-20 0.541\n373.0 1.730E-20 0.533\n373.5 1.770E-20 0.525\n374.0 1.810E-20 0.517\n374.5 1.860E-20 0.509\n375.0 1.900E-20 0.501\n375.5 1.960E-20 0.493\n376.0 2.020E-20 0.486\n376.5 2.060E-20 0.478\n377.0 2.100E-20 0.470\n377.5 2.140E-20 0.462\n378.0 2.180E-20 0.454\n378.5 2.240E-20 0.446\n379.0 2.300E-20 0.438\n379.5 2.370E-20 0.430\n380.0 2.420E-20 0.422\n380.5 2.470E-20 0.414\n381.0 2.540E-20 0.406\n381.5 2.620E-20 0.398\n382.0 2.690E-20 0.391\n382.5 2.790E-20 0.383\n383.0 2.880E-20 0.375\n383.5 2.960E-20 0.367\n384.0 3.020E-20 0.359\n384.5 3.100E-20 0.351\n385.0 3.200E-20 0.343\n385.5 3.290E-20 0.335\n386.0 3.390E-20 0.327\n386.5 3.510E-20 0.319\n387.0 3.620E-20 0.311\n387.5 3.690E-20 0.303\n388.0 3.700E-20 0.296\n388.5 3.770E-20 0.288\n389.0 3.880E-20 0.280\n389.5 3.970E-20 0.272\n390.0 4.030E-20 0.264\n390.5 4.120E-20 0.256\n391.0 4.220E-20 0.248\n391.5 4.290E-20 0.240\n392.0 4.300E-20 0.232\n392.5 4.380E-20 0.224\n393.0 4.470E-20 0.216\n393.5 4.550E-20 0.208\n394.0 4.560E-20 0.201\n394.5 4.590E-20 0.193\n395.0 4.670E-20 0.185\n395.5 4.800E-20 0.177\n396.0 4.870E-20 0.169\n396.5 4.960E-20 0.161\n397.0 5.080E-20 0.153\n397.5 5.190E-20 0.145\n398.0 5.230E-20 0.137\n398.5 5.390E-20 0.129\n399.0 5.460E-20 0.121\n399.5 5.540E-20 0.113\n400.0 5.590E-20 0.106\n400.5 5.770E-20 0.098\n401.0 5.910E-20 0.090\n401.5 5.990E-20 0.082\n402.0 6.060E-20 0.074\n402.5 6.200E-20 0.066\n403.0 6.350E-20 0.058\n403.5 6.520E-20 0.050\n404.0 6.540E-20 0.042\n404.5 6.640E-20 0.034\n405.0 6.930E-20 0.026\n405.5 7.150E-20 0.018\n406.0 7.190E-20 0.011\n406.5 7.320E-20 0.003\n407.0 7.580E-20 0.000\n407.5 7.880E-20 0.000\n408.0 7.970E-20 0.000\n408.5 7.910E-20 0.000\n409.0 8.110E-20 0.000\n409.5 8.410E-20 0.000\n410.0 8.530E-20 0.000\n410.5 8.590E-20 0.000\n411.0 8.600E-20 0.000\n411.5 8.800E-20 0.000\n412.0 9.040E-20 0.000\n412.5 9.450E-20 0.000\n413.0 9.340E-20 0.000\n413.5 9.370E-20 0.000\n414.0 9.630E-20 0.000\n414.5 9.710E-20 0.000\n415.0 9.700E-20 0.000\n415.5 9.650E-20 0.000\n416.0 9.690E-20 0.000\n416.5 9.890E-20 0.000\n417.0 1.000E-19 0.000\n417.5 1.020E-19 0.000\n418.0 1.000E-19 0.000\n418.5 1.020E-19 0.000\n419.0 1.010E-19 0.000\n419.5 1.010E-19 0.000\n420.0 1.030E-19 0.000\n420.5 1.010E-19 0.000\n421.0 1.040E-19 0.000\n421.5 1.050E-19 0.000\n422.0 1.060E-19 0.000\n422.5 1.040E-19 0.000\n423.0 1.050E-19 0.000\n423.5 1.050E-19 0.000\n424.0 1.010E-19 0.000\n424.5 1.010E-19 0.000\n425.0 1.050E-19 0.000\n425.5 1.030E-19 0.000\n426.0 1.020E-19 0.000\n426.5 1.010E-19 0.000\n427.0 9.770E-20 0.000\n427.5 9.810E-20 0.000\n428.0 1.000E-19 0.000\n428.5 1.020E-19 0.000\n429.0 9.890E-20 0.000\n429.5 9.850E-20 0.000\n430.0 1.040E-19 0.000\n430.5 1.080E-19 0.000\n431.0 1.050E-19 0.000\n431.5 1.020E-19 0.000\n432.0 9.640E-20 0.000\n432.5 1.010E-19 0.000\n433.0 1.060E-19 0.000\n433.5 1.090E-19 0.000\n434.0 1.040E-19 0.000\n434.5 1.030E-19 0.000\n435.0 1.070E-19 0.000\n435.5 1.160E-19 0.000\n436.0 1.090E-19 0.000\n436.5 1.110E-19 0.000\n437.0 9.810E-20 0.000\n437.5 9.710E-20 0.000\n438.0 1.060E-19 0.000\n438.5 1.160E-19 0.000\n439.0 1.080E-19 0.000\n439.5 1.050E-19 0.000\n440.0 9.700E-20 0.000\n440.5 1.010E-19 0.000\n441.0 1.040E-19 0.000\n441.5 1.070E-19 0.000\n442.0 1.020E-19 0.000\n442.5 9.680E-20 0.000\n443.0 1.000E-19 0.000\n443.5 1.140E-19 0.000\n444.0 1.130E-19 0.000\n444.5 1.030E-19 0.000\n445.0 9.740E-20 0.000\n445.5 8.460E-20 0.000\n446.0 8.700E-20 0.000\n446.5 9.970E-20 0.000\n447.0 1.010E-19 0.000\n447.5 9.150E-20 0.000\n448.0 9.410E-20 0.000\n448.5 8.990E-20 0.000\n449.0 1.100E-19 0.000\n449.5 9.120E-20 0.000\n450.0 8.560E-20 0.000\n450.5 8.280E-20 0.000\n451.0 6.150E-20 0.000\n451.5 5.560E-20 0.000\n452.0 6.470E-20 0.000\n452.5 7.270E-20 0.000\n453.0 5.750E-20 0.000\n453.5 5.080E-20 0.000\n454.0 4.380E-20 0.000\n454.5 3.810E-20 0.000\n455.0 3.610E-20 0.000\n455.5 3.610E-20 0.000\n456.0 3.130E-20 0.000\n456.5 2.720E-20 0.000\n457.0 2.440E-20 0.000\n457.5 2.220E-20 0.000\n458.0 1.820E-20 0.000\n458.5 1.430E-20 0.000\n459.0 1.320E-20 0.000\n459.5 1.050E-20 0.000\n460.0 8.950E-21 0.000\n460.5 8.900E-21 0.000\n461.0 7.940E-21 0.000\n461.5 7.040E-21 0.000\n462.0 6.460E-21 0.000\n462.5 5.630E-21 0.000\n463.0 4.780E-21 0.000\n463.5 3.940E-21 0.000\n464.0 3.260E-21 0.000\n464.5 2.970E-21 0.000\n465.0 2.650E-21 0.000\n465.5 2.460E-21 0.000\n466.0 2.270E-21 0.000\n466.5 2.080E-21 0.000\n467.0 1.860E-21 0.000\n467.5 1.760E-21 0.000\n468.0 1.600E-21 0.000\n468.5 1.440E-21 0.000\n469.0 1.340E-21 0.000\n469.5 1.200E-21 0.000\n470.0 1.070E-21 0.000\n470.5 1.020E-21 0.000\n471.0 9.920E-22 0.000\n471.5 9.970E-22 0.000\n472.0 8.870E-22 0.000\n472.5 8.270E-22 0.000\n473.0 7.760E-22 0.000\n473.5 7.150E-22 0.000\n474.0 6.710E-22 0.000\n474.5 6.670E-22 0.000\n475.0 6.100E-22 0.000\n475.5 6.170E-22 0.000\n476.0 5.540E-22 0.000\n476.5 5.220E-22 0.000\n477.0 5.100E-22 0.000\n477.5 5.170E-22 0.000\n478.0 4.800E-22 0.000\n478.5 4.710E-22 0.000\n479.0 4.600E-22 0.000\n479.5 4.350E-22 0.000\n480.0 3.900E-22 0.000\n480.5 3.710E-22 0.000\n481.0 3.620E-22 0.000\n481.5 3.520E-22 0.000\n482.0 3.050E-22 0.000\n482.5 3.050E-22 0.000\n483.0 2.860E-22 0.000\n483.5 2.530E-22 0.000\n484.0 2.750E-22 0.000\n484.5 2.590E-22 0.000\n485.0 2.470E-22 0.000\n485.5 2.360E-22 0.000\n486.0 2.120E-22 0.000\n486.5 1.890E-22 0.000\n487.0 1.930E-22 0.000\n487.5 1.860E-22 0.000\n488.0 1.820E-22 0.000\n488.5 1.750E-22 0.000\n489.0 1.740E-22 0.000\n489.5 1.720E-22 0.000\n490.0 1.660E-22 0.000\n490.5 1.750E-22 0.000\n491.0 1.540E-22 0.000\n491.5 1.740E-22 0.000\n492.0 1.630E-22 0.000\n492.5 1.530E-22 0.000\n493.0 1.520E-22 0.000\n493.5 5.850E-23 0.000\n494.0 0.000E+00 0.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/MGLY_IUPAC04", "content": "MGLY_IUPAC04\n!CH3COCHO + hv ---> CH3CO + HCO\n! From IUPAC Subcommittee on Gas Kinetic Data Evaluation; IUPAC Stern-Volmer expression\n! Data Sheet P6_CH3COCHO+hv.pdf, updated 16th Jan, 2003\n! Website: http://www.iupac-kinetic.ch.cam.ac.uk/\nPoints ( These are point values)\n! Units: wavelength/[nm], cross-section/[cm^2], Quantum yields > 380 nm evaluated at 760 Torr using \nFAC=1.0\n275.0 4.413E-20 1.00\n280.0 4.877E-20 1.00\n285.0 4.719E-20 1.00\n290.0 4.838E-20 1.00\n295.0 4.362E-20 1.00\n300.0 3.754E-20 1.00\n305.0 3.361E-20 1.00\n310.0 2.365E-20 1.00\n315.0 1.891E-20 1.00\n320.0 1.511E-20 1.00\n325.0 9.380E-21 1.00\n330.0 6.520E-21 1.00\n335.0 4.820E-21 1.00\n340.0 3.230E-21 1.00\n345.0 3.000E-21 1.00\n350.0 3.940E-21 1.00\n355.0 5.600E-21 1.00\n360.0 6.950E-21 1.00\n365.0 1.077E-20 1.00\n370.0 1.475E-20 1.00\n375.0 1.911E-20 1.00\n380.0 2.429E-20 1.00\n385.0 3.221E-20 0.132\n390.0 4.029E-20 0.109\n395.0 4.732E-20 0.091\n400.0 5.664E-20 0.076\n401.0 5.900E-20 0.073\n402.0 6.070E-20 0.071\n403.0 6.350E-20 0.069\n404.0 6.540E-20 0.066\n405.0 6.910E-20 0.064\n406.0 7.200E-20 0.062\n407.0 7.580E-20 0.060\n408.0 7.940E-20 0.058\n409.0 8.120E-20 0.056\n410.0 8.520E-20 0.054\n411.0 8.630E-20 0.052\n412.0 9.070E-20 0.050\n413.0 9.370E-20 0.049\n414.0 9.620E-20 0.047\n415.0 9.680E-20 0.046\n416.0 9.710E-20 0.044\n417.0 1.004E-19 0.043\n418.0 1.007E-19 0.041\n419.0 1.012E-19 0.040\n420.0 1.021E-19 0.039\n421.0 1.034E-19 0.038\n422.0 1.051E-19 0.036\n423.0 1.045E-19 0.035\n424.0 1.015E-19 0.034\n425.0 1.034E-19 0.033\n426.0 1.024E-19 0.032\n427.0 9.840E-20 0.031\n428.0 1.001E-19 0.030\n429.0 9.940E-20 0.029\n430.0 1.041E-19 0.028\n431.0 1.053E-19 0.028\n432.0 9.790E-20 0.027\n433.0 1.064E-19 0.026\n434.0 1.054E-19 0.025\n435.0 1.081E-19 0.024\n436.0 1.113E-19 0.024\n437.0 9.990E-20 0.023\n438.0 1.059E-19 0.022\n439.0 1.101E-19 0.022\n440.0 9.940E-20 0.021\n441.0 1.039E-19 0.021\n442.0 1.020E-19 0.020\n443.0 1.017E-19 0.019\n444.0 1.117E-19 0.019\n445.0 9.610E-20 0.018\n446.0 8.900E-20 0.018\n447.0 9.840E-20 0.017\n448.0 9.180E-20 0.017\n449.0 1.013E-19 0.016\n450.0 8.670E-20 0.016\n451.0 6.340E-20 0.015\n452.0 6.330E-20 0.015\n453.0 6.080E-20 0.015\n454.0 4.460E-20 0.014\n455.0 3.690E-20 0.014\n456.0 3.080E-20 0.013\n457.0 2.460E-20 0.013\n458.0 1.810E-20 0.013\n459.0 1.280E-20 0.012\n460.0 9.140E-21 0.012\n461.0 7.950E-21 0.012\n462.0 6.420E-21 0.011\n463.0 4.790E-21 0.011\n464.0 3.320E-21 0.011\n465.0 2.680E-21 0.011\n466.0 2.270E-21 0.010\n467.0 1.870E-21 0.010\n468.0 1.600E-21 0.010\n469.0 1.330E-21 0.010\n470.0 1.080E-21 0.009" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/MGLY_IUPAC10", "content": "MGLY_IUPAC10\n! CH3COCHO + hv ---> CH3CO + HCO \n! consitent with IUPAC Subcommittee on Gas Kinetic Data Evaluation\n! Data Sheet P6, updated 16th Jan, 2003 \n! cross-section combine from the two IUPAC 2006 recommendations\n! on the MPI-Mainz UV/VIS Spectral Atlas\n! http://satellite.mpic.de/spectral_atlas/cross_sections\n! for =< 440 nm\n! quantum yields from IUPAC formula with pressure at 760 torr\n! for > 440 nm\n! set to zero \n! These are point values \nBegining (the mechanism evaluated with this format)\n!WL(nm) XSEC(cm2) QY\nFAC=1.0\n225.0 1.268E-20 1.000\n230.0 1.477E-20 1.000\n235.0 1.803E-20 0.999\n240.0 2.071E-20 0.999\n245.0 2.304E-20 0.999\n250.0 2.612E-20 0.998\n255.0 2.859E-20 0.996\n260.0 3.280E-20 0.994\n265.0 3.618E-20 0.992\n270.0 4.159E-20 0.988\n275.0 4.413E-20 0.982\n280.0 4.877E-20 0.974\n285.0 4.719E-20 0.964\n290.0 4.838E-20 0.950\n295.0 4.362E-20 0.932\n300.0 3.754E-20 0.909\n305.0 3.361E-20 0.879\n310.0 2.365E-20 0.844\n315.0 1.891E-20 0.802\n320.0 1.511E-20 0.754\n325.0 9.380E-21 0.700\n330.0 6.520E-21 0.643\n335.0 4.820E-21 0.582\n340.0 3.230E-21 0.521\n345.0 3.000E-21 0.461\n350.0 3.940E-21 0.404\n355.0 5.600E-21 0.351\n360.0 6.950E-21 0.302\n365.0 1.077E-20 0.259\n370.0 1.475E-20 0.221\n375.0 1.911E-20 0.188\n380.0 2.429E-20 0.160\n385.0 3.221E-20 0.135\n390.0 4.029E-20 0.112\n395.0 4.732E-20 0.093\n400.0 5.664E-20 0.078\n405.0 6.923E-20 0.065\n410.0 8.459E-20 0.055\n411.0 8.630E-20 0.053\n412.0 9.070E-20 0.051\n413.0 9.370E-20 0.050\n414.0 9.620E-20 0.048\n415.0 9.680E-20 0.047\n416.0 9.710E-20 0.045\n417.0 1.004E-19 0.044\n418.0 1.007E-19 0.042\n419.0 1.012E-19 0.041\n420.0 1.021E-19 0.040\n421.0 1.034E-19 0.038\n422.0 1.051E-19 0.037\n423.0 1.045E-19 0.036\n424.0 1.015E-19 0.035\n425.0 1.034E-19 0.034\n426.0 1.024E-19 0.033\n427.0 9.840E-20 0.032\n428.0 1.001E-19 0.031\n429.0 9.940E-20 0.030\n430.0 1.041E-19 0.029\n431.0 1.053E-19 0.028\n432.0 9.790E-20 0.027\n433.0 1.064E-19 0.026\n434.0 1.054E-19 0.026\n435.0 1.081E-19 0.025\n436.0 1.113E-19 0.024\n437.0 9.990E-20 0.023\n438.0 1.059E-19 0.023\n439.0 1.101E-19 0.022\n440.0 9.940E-20 0.000\n441.0 1.039E-19 0.000\n442.0 1.020E-19 0.000\n443.0 1.017E-19 0.000\n444.0 1.117E-19 0.000\n445.0 9.610E-20 0.000\n446.0 8.900E-20 0.000\n447.0 9.840E-20 0.000\n448.0 9.180E-20 0.000\n449.0 1.013E-19 0.000\n450.0 8.670E-20 0.000\n451.0 6.340E-20 0.000\n452.0 6.330E-20 0.000\n453.0 6.080E-20 0.000\n454.0 4.460E-20 0.000\n455.0 3.690E-20 0.000\n456.0 3.080E-20 0.000\n457.0 2.460E-20 0.000\n458.0 1.810E-20 0.000\n459.0 1.280E-20 0.000\n460.0 9.140E-21 0.000\n461.0 7.950E-21 0.000\n462.0 6.420E-21 0.000\n463.0 4.790E-21 0.000\n464.0 3.320E-21 0.000\n465.0 2.680E-21 0.000\n466.0 2.270E-21 0.000\n467.0 1.870E-21 0.000\n468.0 1.600E-21 0.000\n469.0 1.330E-21 0.000\n470.0 1.080E-21 0.000\n471.0 9.900E-22 0.000\n472.0 8.900E-22 0.000\n473.0 7.700E-22 0.000\n474.0 6.700E-22 0.000\n475.0 6.200E-22 0.000\n\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/MGLY_RACM2", "content": "MGLY_RACM2\n! MGLY + HV = ACO3 + HO2 + CO \n! Absorption x-section from NASA 2006 \n! Quantum yield from NASA 2006 \n! Supplied by Dr. Wendy Goliff, reformatted by Dr. Golam Sarwar to make it compatible with CMAQ\nPoints \n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n186.1 0.000E+00 1.000\n187.8 0.000E+00 1.000\n189.6 0.000E+00 1.000\n191.4 0.000E+00 1.000\n193.3 0.000E+00 1.000\n195.2 0.000E+00 1.000\n197.1 0.000E+00 1.000\n199.0 0.000E+00 1.000\n201.0 0.000E+00 1.000\n203.1 0.000E+00 1.000\n205.2 0.000E+00 1.000\n207.3 0.000E+00 1.000\n209.4 0.000E+00 1.000\n211.7 0.000E+00 1.000\n213.9 0.000E+00 1.000\n216.2 0.000E+00 1.000\n218.6 0.000E+00 1.000\n221.0 0.000E+00 1.000\n223.5 0.000E+00 1.000\n226.0 0.131E-19 1.000\n228.6 0.142E-19 1.000\n231.3 0.156E-19 1.000\n234.0 0.174E-19 1.000\n236.7 0.189E-19 1.000\n239.6 0.205E-19 1.000\n242.5 0.219E-19 1.000\n245.4 0.233E-19 1.000\n248.5 0.252E-19 1.000\n251.6 0.269E-19 1.000\n254.8 0.285E-19 1.000\n258.2 0.313E-19 1.000\n261.5 0.338E-19 1.000\n265.0 0.362E-19 1.000\n268.5 0.394E-19 1.000\n272.2 0.427E-19 1.000\n275.9 0.450E-19 1.000\n279.8 0.486E-19 1.000\n283.7 0.476E-19 1.000\n287.8 0.479E-19 1.000\n292.0 0.465E-19 1.000\n296.3 0.420E-19 1.000\n300.5 0.371E-19 1.000\n303.0 0.352E-19 1.000\n304.0 0.344E-19 1.000\n305.0 0.336E-19 1.000\n306.0 0.316E-19 1.000\n307.0 0.296E-19 1.000\n308.0 0.276E-19 1.000\n309.0 0.256E-19 1.000\n310.0 0.237E-19 1.000\n311.0 0.227E-19 1.000\n312.0 0.218E-19 1.000\n313.0 0.208E-19 1.000\n314.0 0.199E-19 1.000\n316.0 0.182E-19 1.000\n320.0 0.151E-19 1.000\n325.0 0.938E-20 1.000\n330.0 0.652E-20 1.000\n335.0 0.482E-20 1.000\n340.0 0.323E-20 1.000\n345.0 0.300E-20 1.000\n350.0 0.394E-20 1.000\n355.0 0.560E-20 1.000\n360.0 0.695E-20 1.000\n365.0 0.108E-19 1.000\n370.0 0.148E-19 1.000\n375.0 0.191E-19 1.000\n380.0 0.243E-19 1.000\n385.0 0.322E-19 1.000\n390.0 0.403E-19 1.000\n395.0 0.473E-19 0.697\n400.0 0.566E-19 0.560\n405.0 0.692E-19 0.429\n410.0 0.846E-19 0.320\n415.0 0.968E-19 0.288\n420.0 0.103E-18 0.270\n425.0 0.102E-18 0.225\n430.0 0.101E-18 0.200\n435.0 0.106E-18 0.191\n440.0 0.104E-18 0.017\n445.0 0.994E-19 0.005\n450.0 0.813E-19 0.005\n455.0 0.395E-19 0.005\n460.0 0.109E-19 0.005\n465.0 0.327E-20 0.005\n470.0 0.000E+00 0.005\n475.0 0.000E+00 0.005\n480.0 0.000E+00 0.000\n485.0 0.000E+00 0.000\n490.0 0.000E+00 0.000\n495.0 0.000E+00 0.000\n500.0 0.000E+00 0.000\n505.0 0.000E+00 0.000\n510.0 0.000E+00 0.000\n515.0 0.000E+00 0.000\n520.0 0.000E+00 0.000\n525.0 0.000E+00 0.000\n530.0 0.000E+00 0.000\n535.0 0.000E+00 0.000\n540.0 0.000E+00 0.000\n545.0 0.000E+00 0.000\n550.0 0.000E+00 0.000\n555.0 0.000E+00 0.000\n560.0 0.000E+00 0.000\n565.0 0.000E+00 0.000\n570.0 0.000E+00 0.000\n575.0 0.000E+00 0.000\n580.0 0.000E+00 0.000\n585.0 0.000E+00 0.000\n590.0 0.000E+00 0.000\n595.0 0.000E+00 0.000\n600.0 0.000E+00 0.000\n605.0 0.000E+00 0.000\n610.0 0.000E+00 0.000\n615.0 0.000E+00 0.000\n620.0 0.000E+00 0.000\n625.0 0.000E+00 0.000\n630.0 0.000E+00 0.000\n635.0 0.000E+00 0.000\n640.0 0.000E+00 0.000\n644.8 0.000E+00 0.000\n651.0 0.000E+00 0.000\n660.0 0.000E+00 0.000\n670.0 0.000E+00 0.000\n680.0 0.000E+00 0.000\n690.0 0.000E+00 0.000\n700.0 0.000E+00 0.000\n710.0 0.000E+00 0.000\n720.0 0.000E+00 0.000\n730.0 0.000E+00 0.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/MGLY_RADM88", "content": "MGLY_RADM88\n! Methyl Glyoxal Photolysis (MGLY)\n! CH3COCHO + hv -> ACO3 + HO2 + CO\n! Absorption CS from Plum et al. (1983);\n! Carter's recommendation for low/high band quantum yields\n! format: wl, abs_cs, qy\nBeginning\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n 232.558 1.234E-20 1.000E+00\n 235.294 1.469E-20 1.000E+00\n 238.095 1.693E-20 1.000E+00\n 240.964 1.701E-20 1.000E+00\n 243.902 1.672E-20 1.000E+00\n 246.914 1.754E-20 1.000E+00\n 250.000 1.800E-20 1.000E+00\n 253.165 1.809E-20 1.000E+00\n 256.410 1.892E-20 1.000E+00\n 259.740 1.993E-20 1.000E+00\n 263.158 2.117E-20 1.000E+00\n 266.667 2.377E-20 1.000E+00\n 270.270 2.606E-20 1.000E+00\n 273.973 2.794E-20 1.000E+00\n 277.778 2.961E-20 1.000E+00\n 281.690 2.928E-20 1.000E+00\n 285.714 2.928E-20 1.000E+00\n 289.855 2.711E-20 1.000E+00\n 294.118 2.319E-20 1.000E+00\n 298.500 2.138E-20 1.000E+00\n 302.500 1.930E-20 1.000E+00\n 303.500 1.840E-20 1.000E+00\n 304.500 1.749E-20 1.000E+00\n 305.500 1.650E-20 1.000E+00\n 306.500 1.550E-20 1.000E+00\n 307.500 1.450E-20 1.000E+00\n 308.500 1.350E-20 1.000E+00\n 309.500 1.260E-20 1.000E+00\n 310.500 1.230E-20 1.000E+00\n 311.500 1.210E-20 1.000E+00\n 312.500 1.190E-20 1.000E+00\n 313.500 1.170E-20 1.000E+00\n 314.500 1.036E-20 1.000E+00\n 317.500 6.437E-21 1.000E+00\n 322.500 4.000E-21 1.000E+00\n 327.500 2.000E-21 1.000E+00\n 332.500 2.500E-22 1.000E+00\n 337.500 0.000E+00 1.000E+00\n 342.500 0.000E+00 1.070E-01\n 347.500 0.000E+00 1.070E-01\n 352.500 7.232E-22 1.070E-01\n 357.500 2.464E-21 1.070E-01\n 362.500 4.000E-21 1.070E-01\n 367.500 5.547E-21 1.070E-01\n 372.500 8.000E-21 1.070E-01\n 377.500 1.083E-20 1.070E-01\n 382.500 1.506E-20 1.070E-01\n 387.500 1.988E-20 1.070E-01\n 392.500 2.400E-20 1.070E-01\n 397.500 2.875E-20 1.070E-01\n 402.500 3.750E-20 1.070E-01\n 407.500 4.416E-20 1.070E-01\n 412.500 4.819E-20 1.070E-01\n 417.500 4.958E-20 1.070E-01\n 422.500 4.972E-20 1.070E-01\n 427.500 5.184E-20 1.070E-01\n 432.500 5.868E-20 1.070E-01\n 437.500 6.007E-20 1.070E-01\n 442.500 6.055E-20 1.070E-01\n 447.500 5.402E-20 1.070E-01\n 452.500 2.975E-20 1.070E-01\n 457.500 6.964E-21 1.070E-01\n 462.500 2.000E-21 1.070E-01\n 467.500 0.000E+00 1.070E-01\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/MHP_NASA94", "content": "MHP_NASA94\n! Methyl Hydrogen Peroxide Photolysis (MHP)\n! CH3OOH + hv -> products \n! Taken from NASA (1994)\n! format: wl, abs_cs, qy\nCentered\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n 203.100 0.000E+00 1.000E+00\n 205.100 1.759E-19 1.000E+00\n 207.300 3.120E-19 1.000E+00\n 209.400 3.120E-19 1.000E+00\n 211.600 3.120E-19 1.000E+00\n 213.900 3.083E-19 1.000E+00\n 216.200 1.540E-19 1.000E+00\n 218.600 1.540E-19 1.000E+00\n 221.000 1.540E-19 1.000E+00\n 223.500 1.540E-19 1.000E+00\n 226.000 1.026E-19 1.000E+00\n 228.600 9.620E-20 1.000E+00\n 231.200 9.620E-20 1.000E+00\n 233.900 9.236E-20 1.000E+00\n 236.700 6.050E-20 1.000E+00\n 239.500 6.050E-20 1.000E+00\n 242.400 6.050E-20 1.000E+00\n 245.400 4.735E-20 1.000E+00\n 248.500 3.980E-20 1.000E+00\n 251.600 3.980E-20 1.000E+00\n 254.800 3.363E-20 1.000E+00\n 258.100 2.560E-20 1.000E+00\n 261.400 2.560E-20 1.000E+00\n 264.900 2.151E-20 1.000E+00\n 268.500 1.700E-20 1.000E+00\n 272.100 1.700E-20 1.000E+00\n 275.900 1.255E-20 1.000E+00\n 279.700 1.090E-20 1.000E+00\n 283.700 1.019E-20 1.000E+00\n 287.800 6.900E-21 1.000E+00\n 292.000 6.900E-21 1.000E+00\n 296.300 4.664E-21 1.000E+00\n 300.500 4.100E-21 1.000E+00\n 303.000 4.100E-21 1.000E+00\n 304.000 4.100E-21 1.000E+00\n 305.000 3.250E-21 1.000E+00\n 306.000 2.400E-21 1.000E+00\n 307.000 2.400E-21 1.000E+00\n 308.000 2.400E-21 1.000E+00\n 309.000 2.400E-21 1.000E+00\n 310.000 2.400E-21 1.000E+00\n 311.000 2.400E-21 1.000E+00\n 312.000 2.400E-21 1.000E+00\n 313.000 2.400E-21 1.000E+00\n 314.000 2.400E-21 1.000E+00\n 316.000 1.567E-21 1.000E+00\n 320.000 1.400E-21 1.000E+00\n 325.000 1.095E-21 1.000E+00\n 330.000 7.900E-22 1.000E+00\n 335.000 6.300E-22 1.000E+00\n 340.000 4.700E-22 1.000E+00\n 345.000 3.700E-22 1.000E+00\n 350.000 2.700E-22 1.000E+00\n 355.000 2.150E-22 1.000E+00\n 360.000 1.600E-22 1.000E+00\n 365.000 8.000E-23 1.000E+00\n 370.000 0.000E+00 1.000E+00\n\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/MHP_RADM88", "content": "MHP_RADM88\n! Methyl Hydrogen Peroxide Photolysis (MHP)\n! CH3OOH + hv -> products \n! Abs CS based on Molina and Arguello [1979];\n! QY assumed to be unity over UV absorption range\n! format: wl, abs_cs, qy\nBeginning\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n 210.526 3.495E-19 1.000E+00\n 212.766 3.144E-19 1.000E+00\n 215.054 2.786E-19 1.000E+00\n 217.391 2.419E-19 1.000E+00\n 219.780 2.120E-19 1.000E+00\n 222.222 1.919E-19 1.000E+00\n 224.719 1.714E-19 1.000E+00\n 227.273 1.505E-19 1.000E+00\n 229.885 1.328E-19 1.000E+00\n 232.558 1.190E-19 1.000E+00\n 235.294 1.049E-19 1.000E+00\n 238.095 9.074E-20 1.000E+00\n 240.964 8.070E-20 1.000E+00\n 243.902 7.178E-20 1.000E+00\n 246.914 6.263E-20 1.000E+00\n 250.000 5.484E-20 1.000E+00\n 253.165 4.843E-20 1.000E+00\n 256.410 4.185E-20 1.000E+00\n 259.740 3.612E-20 1.000E+00\n 263.158 3.161E-20 1.000E+00\n 266.667 2.699E-20 1.000E+00\n 270.270 2.288E-20 1.000E+00\n 273.973 1.912E-20 1.000E+00\n 277.778 1.541E-20 1.000E+00\n 281.690 1.278E-20 1.000E+00\n 285.714 1.033E-20 1.000E+00\n 289.855 8.365E-21 1.000E+00\n 294.118 6.981E-21 1.000E+00\n 298.500 5.702E-21 1.000E+00\n 302.500 5.080E-21 1.000E+00\n 303.500 4.840E-21 1.000E+00\n 304.500 4.600E-21 1.000E+00\n 305.500 4.360E-21 1.000E+00\n 306.500 4.120E-21 1.000E+00\n 307.500 3.880E-21 1.000E+00\n 308.500 3.640E-21 1.000E+00\n 309.500 3.411E-21 1.000E+00\n 310.500 3.250E-21 1.000E+00\n 311.500 3.100E-21 1.000E+00\n 312.500 2.950E-21 1.000E+00\n 313.500 2.800E-21 1.000E+00\n 314.500 2.500E-21 1.000E+00\n 317.500 1.944E-21 1.000E+00\n 322.500 1.500E-21 1.000E+00\n 327.500 1.119E-21 1.000E+00\n 332.500 8.500E-22 1.000E+00\n 337.500 6.187E-22 1.000E+00\n 342.500 5.000E-22 1.000E+00\n 347.500 3.875E-22 1.000E+00\n 352.500 2.000E-22 1.000E+00\n 357.500 0.000E+00 1.000E+00\n\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/MI2_IUPAC10", "content": "MI2_IUPAC10\n! MI2 + HV = 2.0*I \n! MI2 Photolysis data \n! Supplied by Golam Sarwar \n! Created from IUPAC dataset PI12\nPoints (these data can be treated as point values)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n205.0 4.070E-18 1.000\n210.0 4.040E-18 1.000\n215.0 3.220E-18 1.000\n220.0 2.600E-18 1.000\n225.0 1.980E-18 1.000\n230.0 1.320E-18 1.000\n235.0 1.090E-18 1.000\n240.0 1.230E-18 1.000\n245.0 1.500E-18 1.000\n250.0 1.570E-18 1.000\n255.0 1.400E-18 1.000\n260.0 1.200E-18 1.000\n265.0 1.300E-18 1.000\n270.0 1.790E-18 1.000\n275.0 2.550E-18 1.000\n280.0 3.280E-18 1.000\n285.0 3.730E-18 1.000\n290.0 3.810E-18 1.000\n295.0 3.720E-18 1.000\n300.0 3.570E-18 1.000\n305.0 3.380E-18 1.000\n310.0 3.140E-18 1.000\n315.0 2.800E-18 1.000\n320.0 2.440E-18 1.000\n325.0 2.030E-18 1.000\n330.0 1.610E-18 1.000\n335.0 1.200E-18 1.000\n340.0 8.330E-19 1.000\n345.0 5.370E-19 1.000\n350.0 3.260E-19 1.000\n355.0 1.920E-19 1.000\n360.0 1.090E-19 1.000\n365.0 6.050E-20 1.000\n370.0 3.400E-20 1.000\n375.0 1.930E-20 1.000\n380.0 1.160E-20 1.000\n385.0 7.700E-21 1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/MIB_IUPAC10", "content": "MIB_IUPAC10\n! MIB + HV = I + BR \n! MIB Photolysis data \n! Supplied by Golam Sarwar \n! Created from IUPAC dataset PI11\nPoints (these data can be treated as point values)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n215.0 5.670E-18 1.000\n220.0 4.230E-18 1.000\n225.0 2.690E-18 1.000\n230.0 1.550E-18 1.000\n235.0 9.790E-19 1.000\n240.0 8.090E-19 1.000\n245.0 9.370E-19 1.000\n250.0 1.250E-18 1.000\n255.0 1.700E-18 1.000\n260.0 2.070E-18 1.000\n265.0 2.280E-18 1.000\n270.0 2.290E-18 1.000\n275.0 2.140E-18 1.000\n280.0 1.840E-18 1.000\n285.0 1.500E-18 1.000\n290.0 1.100E-18 1.000\n295.0 8.250E-19 1.000\n300.0 6.060E-19 1.000\n305.0 4.290E-19 1.000\n310.0 3.140E-19 1.000\n315.0 2.310E-19 1.000\n320.0 1.680E-19 1.000\n325.0 1.150E-19 1.000\n330.0 8.020E-20 1.000\n335.0 5.520E-20 1.000\n340.0 3.500E-20 1.000\n345.0 2.240E-20 1.000\n350.0 1.410E-20 1.000\n355.0 8.170E-21 1.000\n360.0 4.980E-21 1.000\n365.0 3.020E-21 1.000\n370.0 1.650E-21 1.000\n375.0 9.800E-22 1.000\n380.0 7.000E-22 1.000\n385.0 3.900E-22 1.000\n390.0 2.500E-22 1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/MIC_IUPAC10", "content": "MIC_IUPAC10\n! MIC + HV = I + CL \n! MIC Photolysis data \n! Supplied by Golam Sarwar \n! Created from IUPAC dataset PI10\nPoints (these data can be treated as point values)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n205.0 1.220E-18 1.000\n210.0 3.910E-19 1.000\n215.0 1.030E-19 1.000\n220.0 7.000E-20 1.000\n225.0 9.060E-20 1.000\n230.0 1.380E-19 1.000\n235.0 2.120E-19 1.000\n240.0 3.180E-19 1.000\n245.0 4.560E-19 1.000\n250.0 6.290E-19 1.000\n255.0 8.400E-19 1.000\n260.0 1.050E-18 1.000\n265.0 1.210E-18 1.000\n270.0 1.270E-18 1.000\n275.0 1.200E-18 1.000\n280.0 1.030E-18 1.000\n285.0 8.070E-19 1.000\n290.0 5.810E-19 1.000\n295.0 3.980E-19 1.000\n300.0 2.590E-19 1.000\n305.0 1.670E-19 1.000\n310.0 1.090E-19 1.000\n315.0 7.160E-20 1.000\n320.0 4.790E-20 1.000\n325.0 3.230E-20 1.000\n330.0 2.140E-20 1.000\n335.0 1.400E-20 1.000\n340.0 9.050E-21 1.000\n345.0 5.690E-21 1.000\n350.0 3.500E-21 1.000\n355.0 2.250E-21 1.000\n360.0 1.380E-21 1.000\n365.0 8.100E-22 1.000\n370.0 4.800E-22 1.000\n375.0 2.700E-22 1.000\n380.0 1.700E-22 1.000\n385.0 8.000E-23 1.000\n390.0 6.000E-23 1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/MVK-06", "content": "MVK-06 \n! MVK total photolysis \n! IUPAC Subcommittee on Gas Kinetic Data Evaluation Data Sheet P10 \n! Website: http://www.iupac-kinetic.ch.cam.ac.uk/ \n! This datasheet updated: 9th August 2002. \n! Decline in absorption cross sections with wavelength above 395 nm estimated by \n! linear interpolation. \n! Quantum yields for all photodecomposition processes. IUPAC recommends ~60% for \n! propene formation, rest radical forming routes. \n! Quantum yields calculated for 1 atm overpredicts photolysis rates for chamber \n! experiments that gives best fits to data. Effective pressure increased to 5 atm\n! to give overall quantum yields that are consistent with modeling chamber data. \n! \nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n250.0 2.410E-21 0.2050\n251.0 2.410E-21 0.1940\n252.0 2.240E-21 0.1830\n253.0 2.410E-21 0.1740\n254.0 2.410E-21 0.1640\n255.0 2.580E-21 0.1560\n256.0 2.750E-21 0.1470\n257.0 2.750E-21 0.1390\n258.0 2.930E-21 0.1320\n259.0 3.100E-21 0.1250\n260.0 3.270E-21 0.1180\n261.0 3.610E-21 0.1120\n262.0 3.790E-21 0.1060\n263.0 3.960E-21 0.1000\n264.0 4.300E-21 0.0950\n265.0 4.650E-21 0.0900\n266.0 4.990E-21 0.0850\n267.0 5.340E-21 0.0800\n268.0 5.680E-21 0.0760\n269.0 6.200E-21 0.0720\n270.0 6.540E-21 0.0680\n271.0 7.060E-21 0.0650\n272.0 7.570E-21 0.0610\n273.0 8.090E-21 0.0580\n274.0 8.780E-21 0.0550\n275.0 9.290E-21 0.0520\n276.0 9.980E-21 0.0490\n277.0 1.080E-20 0.0460\n278.0 1.150E-20 0.0440\n279.0 1.240E-20 0.0420\n280.0 1.330E-20 0.0390\n281.0 1.410E-20 0.0370\n282.0 1.500E-20 0.0350\n283.0 1.600E-20 0.0330\n284.0 1.700E-20 0.0320\n285.0 1.810E-20 0.0300\n286.0 1.910E-20 0.0280\n287.0 2.030E-20 0.0270\n288.0 2.150E-20 0.0250\n289.0 2.290E-20 0.0240\n290.0 2.430E-20 0.0230\n291.0 2.550E-20 0.0210\n292.0 2.670E-20 0.0200\n293.0 2.810E-20 0.0190\n294.0 2.930E-20 0.0180\n295.0 3.080E-20 0.0170\n296.0 3.240E-20 0.0160\n297.0 3.390E-20 0.0150\n298.0 3.560E-20 0.0150\n299.0 3.700E-20 0.0140\n300.0 3.870E-20 0.0130\n301.0 4.040E-20 0.0120\n302.0 4.200E-20 0.0120\n303.0 4.350E-20 0.0110\n304.0 4.510E-20 0.0110\n305.0 4.660E-20 0.0100\n306.0 4.820E-20 0.0090\n307.0 4.960E-20 0.0090\n308.0 5.130E-20 0.0080\n309.0 5.300E-20 0.0080\n310.0 5.440E-20 0.0080\n311.0 5.580E-20 0.0070\n312.0 5.730E-20 0.0070\n313.0 5.870E-20 0.0060\n314.0 6.020E-20 0.0060\n315.0 6.140E-20 0.0060\n316.0 6.280E-20 0.0050\n317.0 6.420E-20 0.0050\n318.0 6.540E-20 0.0050\n319.0 6.630E-20 0.0050\n320.0 6.700E-20 0.0040\n321.0 6.760E-20 0.0040\n322.0 6.830E-20 0.0040\n323.0 6.850E-20 0.0040\n324.0 6.880E-20 0.0030\n325.0 6.950E-20 0.0030\n326.0 7.020E-20 0.0030\n327.0 7.090E-20 0.0030\n328.0 7.160E-20 0.0030\n329.0 7.230E-20 0.0030\n330.0 7.280E-20 0.0030\n331.0 7.300E-20 0.0020\n332.0 7.260E-20 0.0020\n333.0 7.180E-20 0.0020\n334.0 7.040E-20 0.0020\n335.0 6.940E-20 0.0020\n336.0 6.850E-20 0.0020\n337.0 6.700E-20 0.0020\n338.0 6.560E-20 0.0020\n339.0 6.470E-20 0.0020\n340.0 6.440E-20 0.0010\n341.0 6.420E-20 0.0010\n342.0 6.350E-20 0.0010\n343.0 6.350E-20 0.0010\n344.0 6.300E-20 0.0010\n345.0 6.230E-20 0.0010\n346.0 6.140E-20 0.0010\n347.0 6.080E-20 0.0010\n348.0 5.770E-20 0.0010\n349.0 5.470E-20 0.0010\n350.0 5.200E-20 0.0010\n351.0 4.940E-20 0.0010\n352.0 4.720E-20 0.0010\n353.0 4.530E-20 0.0010\n354.0 4.320E-20 0.0010\n355.0 4.150E-20 0.0010\n356.0 4.030E-20 0.0010\n357.0 3.940E-20 0.0010\n358.0 3.890E-20 0.0010\n359.0 3.890E-20 0.0010\n360.0 3.680E-20 0.0000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/MVKN_RACM2", "content": "MVKN_RACM2 \n! MVKN + hv = GLYC + NO2 + ACO3 j(noa2) \n! \n! nitrooxy-acetone (NOA) photolysis quantum yields \n! cross section based on Roberts and Fajer (1989). \n! Mller et al. 2014 define the cross-section enhancement rnk of a carbonyl nitrate(Fig. 1) ! quantum yield based on Mller (2014).\n! They estimate the average quantum yield to be 0.9 for NOA (noa1 here)\n! and 0.75 for 3-nitrooxy-2-butanone (MVKN) (noa2 \"here),\" with an estimated error of ca. 0.2.\n! The value of 0.9 is a factor of 4 higher than the MCMv3.2 averaged quantum yiel for \"NOA,\"\n! Made by Azimeh Zare\n! quantum yield based on Mller (2014). \n! They estimate the average quantum yield to be 0.9 for NOA (no2 here) \n! and 0.75 for 3-nitrooxy-2-butanone (MVKN) (noa2 \"here),\" with an estimated error of ca. 0.2. \n! The value of 0.75 is a factor of 4 higher than the MCMv3.2 averaged quantum yield for \"NOA,\"\nPoints (the mechanism evaluated with this format) \n! With \"FAC,\" units are (cm^2/molecule) \nFAC=1.0 ! NOA !rnk2 \n245 2.29E-19 0.75 !2.29E-19 1 \n250 1.47E-19 0.75 !1.47E-19 1 \n255 1.07E-19 0.75 !1.07E-19 1 \n260 8.53E-20 0.75 !8.53E-20 1 \n265 7.63E-20 0.75 !7.63E-20 1 \n270 8.75E-20 0.75 !7.29E-20 1.2 \n275 8.42E-20 0.75 !7.02E-20 1.2 \n280 7.67E-20 0.75 !6.67E-20 1.15 \n285 7.25E-20 0.75 !6.25E-20 1.16 \n290 7.00E-20 0.75 !5.83E-20 1.2 \n295 6.73E-20 0.75 !5.18E-20 1.3 \n300 6.94E-20 0.75 !4.48E-20 1.55 \n305 6.14E-20 0.75 !3.61E-20 1.7 \n310 5.11E-20 0.75 !2.69E-20 1.9 \n315 4.09E-20 0.75 !1.86E-20 2.2 \n320 3.67E-20 0.75 !1.31E-20 2.8 \n325 2.92E-20 0.75 !7.90E-21 3.7 \n330 2.37E-20 0.75 !4.55E-21 5.2 \n335 1.25E-20 0.75 !2.20E-21 5.7 \n340 8.00E-21 0.75 !1.60E-21 5 \n345 0.00E+00 0.75 !0.00E+00 1 \n350 0.00E+00 0.75 !0.00E+00 1 \n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/MVK_06", "content": "MVK-06 \n! MVK total photolysis \n! IUPAC Subcommittee on Gas Kinetic Data Evaluation Data Sheet P10 \n! Website: http://www.iupac-kinetic.ch.cam.ac.uk/ \n! This datasheet updated: 9th August 2002. \n! Decline in absorption cross sections with wavelength above 395 nm estimated by \n! linear interpolation. \n! Quantum yields for all photodecomposition processes. IUPAC recommends ~60% for \n! propene formation, rest radical forming routes. \n! Quantum yields calculated for 1 atm overpredicts photolysis rates for chamber \n! experiments that gives best fits to data. Effective pressure increased to 5 atm\n! to give overall quantum yields that are consistent with modeling chamber data. \n! \nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n250.0 2.410E-21 0.2050\n251.0 2.410E-21 0.1940\n252.0 2.240E-21 0.1830\n253.0 2.410E-21 0.1740\n254.0 2.410E-21 0.1640\n255.0 2.580E-21 0.1560\n256.0 2.750E-21 0.1470\n257.0 2.750E-21 0.1390\n258.0 2.930E-21 0.1320\n259.0 3.100E-21 0.1250\n260.0 3.270E-21 0.1180\n261.0 3.610E-21 0.1120\n262.0 3.790E-21 0.1060\n263.0 3.960E-21 0.1000\n264.0 4.300E-21 0.0950\n265.0 4.650E-21 0.0900\n266.0 4.990E-21 0.0850\n267.0 5.340E-21 0.0800\n268.0 5.680E-21 0.0760\n269.0 6.200E-21 0.0720\n270.0 6.540E-21 0.0680\n271.0 7.060E-21 0.0650\n272.0 7.570E-21 0.0610\n273.0 8.090E-21 0.0580\n274.0 8.780E-21 0.0550\n275.0 9.290E-21 0.0520\n276.0 9.980E-21 0.0490\n277.0 1.080E-20 0.0460\n278.0 1.150E-20 0.0440\n279.0 1.240E-20 0.0420\n280.0 1.330E-20 0.0390\n281.0 1.410E-20 0.0370\n282.0 1.500E-20 0.0350\n283.0 1.600E-20 0.0330\n284.0 1.700E-20 0.0320\n285.0 1.810E-20 0.0300\n286.0 1.910E-20 0.0280\n287.0 2.030E-20 0.0270\n288.0 2.150E-20 0.0250\n289.0 2.290E-20 0.0240\n290.0 2.430E-20 0.0230\n291.0 2.550E-20 0.0210\n292.0 2.670E-20 0.0200\n293.0 2.810E-20 0.0190\n294.0 2.930E-20 0.0180\n295.0 3.080E-20 0.0170\n296.0 3.240E-20 0.0160\n297.0 3.390E-20 0.0150\n298.0 3.560E-20 0.0150\n299.0 3.700E-20 0.0140\n300.0 3.870E-20 0.0130\n301.0 4.040E-20 0.0120\n302.0 4.200E-20 0.0120\n303.0 4.350E-20 0.0110\n304.0 4.510E-20 0.0110\n305.0 4.660E-20 0.0100\n306.0 4.820E-20 0.0090\n307.0 4.960E-20 0.0090\n308.0 5.130E-20 0.0080\n309.0 5.300E-20 0.0080\n310.0 5.440E-20 0.0080\n311.0 5.580E-20 0.0070\n312.0 5.730E-20 0.0070\n313.0 5.870E-20 0.0060\n314.0 6.020E-20 0.0060\n315.0 6.140E-20 0.0060\n316.0 6.280E-20 0.0050\n317.0 6.420E-20 0.0050\n318.0 6.540E-20 0.0050\n319.0 6.630E-20 0.0050\n320.0 6.700E-20 0.0040\n321.0 6.760E-20 0.0040\n322.0 6.830E-20 0.0040\n323.0 6.850E-20 0.0040\n324.0 6.880E-20 0.0030\n325.0 6.950E-20 0.0030\n326.0 7.020E-20 0.0030\n327.0 7.090E-20 0.0030\n328.0 7.160E-20 0.0030\n329.0 7.230E-20 0.0030\n330.0 7.280E-20 0.0030\n331.0 7.300E-20 0.0020\n332.0 7.260E-20 0.0020\n333.0 7.180E-20 0.0020\n334.0 7.040E-20 0.0020\n335.0 6.940E-20 0.0020\n336.0 6.850E-20 0.0020\n337.0 6.700E-20 0.0020\n338.0 6.560E-20 0.0020\n339.0 6.470E-20 0.0020\n340.0 6.440E-20 0.0010\n341.0 6.420E-20 0.0010\n342.0 6.350E-20 0.0010\n343.0 6.350E-20 0.0010\n344.0 6.300E-20 0.0010\n345.0 6.230E-20 0.0010\n346.0 6.140E-20 0.0010\n347.0 6.080E-20 0.0010\n348.0 5.770E-20 0.0010\n349.0 5.470E-20 0.0010\n350.0 5.200E-20 0.0010\n351.0 4.940E-20 0.0010\n352.0 4.720E-20 0.0010\n353.0 4.530E-20 0.0010\n354.0 4.320E-20 0.0010\n355.0 4.150E-20 0.0010\n356.0 4.030E-20 0.0010\n357.0 3.940E-20 0.0010\n358.0 3.890E-20 0.0010\n359.0 3.890E-20 0.0010\n360.0 3.680E-20 0.0000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/MVK_MCMv32", "content": "MVK_MCMv32\n!Methyl vinyl ketone CH2COCHCH2 Cross-sections and quantum\n!\n!MVK --> CH3CH=CH2 + CO\n!MVK --> CH2CHCO + CH3\n!\n!MPI_Mainz Spectral Atlas (http://www.atmosphere.mpg.de)\n!\n!Recommended values from IUPAC 2005 Datasheet P10\n! http://www.iupac-kinetic.ch.cam.ac.uk\n! References\n! T. Gierczak, J.B. Burkholder, R.K. Talukdar, A. Mellouki, S.B. Barone, \n! and A.R. Ravishankara: Atmospheric fate of methyl vinyl ketone and \n! methacrolein, J. Photochem. Photobiol. A: Chem. 110, 1-10 (1997)\n! Cross-Section at T = 298 K, resolution = 1 nm\n! Total quantum, phi equals\n! exp(0.055*(Lambda-308))/(5.5+9.2E-19*M)\n! where lambda is wavelength in nm and M is air number density in \n! molecules/cm3\n! \n! phi1 for CH3CH=CH2 + CO\n! phi2 for CH2CHCO + CH3\n! phi1=0.5*phi, slightly lower than IUPAC recommendation, 0.60*phi\n! phi2=0.5*phi, higher than IUPAC recommendation, 0.40*phi\n! Note: IUPAC suggests third channel, C2H3+CH3CO is insignificant\n! in\n!wl,nm XC(cm2) QY\nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n250 2.41E-21 0.431686824\n251 2.41E-21 0.408585167\n252 2.24E-21 0.386719792\n253 2.41E-21 0.36602454\n254 2.41E-21 0.346436791\n255 2.58E-21 0.327897277\n256 2.75E-21 0.310349903\n257 2.75E-21 0.293741574\n258 2.93E-21 0.278022037\n259 3.10E-21 0.263143729\n260 3.27E-21 0.249061631\n261 3.61E-21 0.235733135\n262 3.79E-21 0.223117911\n263 3.96E-21 0.211177789\n264 4.30E-21 0.199876641\n265 4.65E-21 0.189180272\n266 4.99E-21 0.179056318\n267 5.34E-21 0.169474145\n268 5.68E-21 0.160404761\n269 6.20E-21 0.151820724\n270 6.54E-21 0.143696061\n271 7.06E-21 0.136006187\n272 7.57E-21 0.128727836\n273 8.09E-21 0.121838985\n274 8.78E-21 0.11531879\n275 9.29E-21 0.109147522\n276 9.98E-21 0.103306509\n277 1.08E-20 0.097778076\n278 1.15E-20 0.092545497\n279 1.24E-20 0.087592938\n280 1.33E-20 0.082905415\n281 1.41E-20 0.078468744\n282 1.50E-20 0.074269501\n283 1.60E-20 0.070294979\n284 1.70E-20 0.066533154\n285 1.81E-20 0.062972642\n286 1.91E-20 0.05960267\n287 2.03E-20 0.056413042\n288 2.15E-20 0.053394107\n289 2.29E-20 0.050536729\n290 2.43E-20 0.047832263\n291 2.55E-20 0.045272527\n292 2.67E-20 0.042849774\n293 2.81E-20 0.040556675\n294 2.93E-20 0.038386291\n295 3.08E-20 0.036332054\n296 3.24E-20 0.034387749\n297 3.39E-20 0.032547494\n298 3.56E-20 0.03080572\n299 3.70E-20 0.029157156\n300 3.87E-20 0.027596815\n301 4.04E-20 0.026119976\n302 4.20E-20 0.024722169\n303 4.35E-20 0.023399166\n304 4.51E-20 0.022146963\n305 4.66E-20 0.020961772\n306 4.82E-20 0.019840006\n307 4.96E-20 0.018778271\n308 5.13E-20 0.017773354\n309 5.30E-20 0.016822216\n310 5.44E-20 0.015921977\n311 5.58E-20 0.015069915\n312 5.73E-20 0.014263451\n313 5.87E-20 0.013500144\n314 6.02E-20 0.012777686\n315 6.14E-20 0.01209389\n316 6.28E-20 0.011446687\n317 6.42E-20 0.01083412\n318 6.54E-20 0.010254333\n319 6.63E-20 0.009705574\n320 6.70E-20 0.009186182\n321 6.76E-20 0.008694585\n322 6.83E-20 0.008229295\n323 6.85E-20 0.007788906\n324 6.88E-20 0.007372084\n325 6.95E-20 0.006977568\n326 7.02E-20 0.006604164\n327 7.09E-20 0.006250743\n328 7.16E-20 0.005916236\n329 7.23E-20 0.005599629\n330 7.28E-20 0.005299966\n331 7.30E-20 0.005016339\n332 7.26E-20 0.00474789\n333 7.18E-20 0.004493808\n334 7.04E-20 0.004253322\n335 6.94E-20 0.004025706\n336 6.85E-20 0.003810271\n337 6.70E-20 0.003606365\n338 6.56E-20 0.003413371\n339 6.47E-20 0.003230705\n340 6.44E-20 0.003057814\n341 6.42E-20 0.002894176\n342 6.35E-20 0.002739294\n343 6.35E-20 0.002592701\n344 6.30E-20 0.002453953\n345 6.23E-20 0.002322631\n346 6.14E-20 0.002198335\n347 6.08E-20 0.002080692\n348 5.77E-20 0.001969344\n349 5.47E-20 0.001863955\n350 5.20E-20 0.001764205\n351 4.94E-20 0.001669794\n352 4.72E-20 0.001580435\n353 4.53E-20 0.001495859\n354 4.32E-20 0.001415808\n355 4.15E-20 0.001340041\n356 4.03E-20 0.001268329\n357 3.94E-20 0.001200455\n358 3.89E-20 0.001136213\n359 3.89E-20 0.001075408\n360 3.68E-20 0.001017858\n361 3.60E-20 0.000963387\n362 3.49E-20 0.000911832\n363 3.36E-20 0.000863035\n364 3.29E-20 0.00081685\n365 3.03E-20 0.000773137\n366 2.77E-20 0.000731762\n367 2.50E-20 0.000692602\n368 2.20E-20 0.000655538\n369 2.01E-20 0.000620457\n370 1.88E-20 0.000587253\n371 1.74E-20 0.000555826\n372 1.58E-20 0.000526081\n373 1.48E-20 0.000497928\n374 1.39E-20 0.000471282\n375 1.31E-20 0.000446061\n376 1.26E-20 0.00042219\n377 1.24E-20 0.000399597\n378 1.20E-20 0.000378212\n379 1.20E-20 0.000357972\n380 1.05E-20 0.000338815\n381 9.81E-21 0.000320684\n382 9.12E-21 0.000303522\n383 8.78E-21 0.00028728\n384 9.29E-21 0.000271906\n385 7.57E-21 0.000257355\n386 6.37E-21 0.000243582\n387 5.34E-21 0.000230547\n388 4.47E-21 0.00021821\n389 3.96E-21 0.000206532\n390 3.44E-21 0.00019548\n391 3.10E-21 0.000185018\n392 2.93E-21 0.000175117\n393 2.75E-21 0.000165746\n394 2.41E-21 0.000156876\n395 2.07E-21 0.000148481\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/MVK_RACM2", "content": "MVK_RACM2\n! MVK + HV = 0.3*MO2 + 0.3*MACP + 0.7*CO + 0.7*UALD \n! Absorption x-section from NASA 2006 \n! Quantum yield from \n! Supplied by Dr. Wendy Goliff, reformatted by Dr. Golam Sarwar to make it compatible with CMAQ\nPoints \n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n186.1 0.000E+00 0.000\n187.8 0.000E+00 0.000\n189.6 0.000E+00 0.000\n191.4 0.000E+00 0.000\n193.3 0.000E+00 0.000\n195.2 0.000E+00 0.000\n197.1 0.000E+00 0.000\n199.0 0.000E+00 0.000\n201.0 0.000E+00 0.000\n203.1 0.000E+00 0.000\n205.2 0.000E+00 0.000\n207.3 0.000E+00 0.000\n209.4 0.000E+00 0.000\n211.7 0.000E+00 0.000\n213.9 0.000E+00 0.000\n216.2 0.000E+00 0.000\n218.6 0.000E+00 0.000\n221.0 0.000E+00 0.000\n223.5 0.000E+00 0.000\n226.0 0.000E+00 0.000\n228.6 0.000E+00 0.000\n231.3 0.000E+00 0.000\n234.0 0.000E+00 0.000\n236.7 0.000E+00 0.000\n239.6 0.000E+00 0.000\n242.5 0.000E+00 0.000\n245.4 0.000E+00 0.000\n248.5 0.000E+00 0.000\n251.6 0.231E-20 0.000\n254.8 0.255E-20 0.000\n258.2 0.296E-20 0.000\n261.5 0.344E-20 0.000\n265.0 0.465E-20 0.000\n268.5 0.594E-20 0.000\n272.2 0.767E-20 0.000\n275.9 0.998E-20 0.000\n279.8 0.133E-19 0.039\n283.7 0.170E-19 0.032\n287.8 0.215E-19 0.025\n292.0 0.267E-19 0.020\n296.3 0.324E-19 0.016\n300.5 0.396E-19 0.013\n303.0 0.435E-19 0.011\n304.0 0.451E-19 0.011\n305.0 0.466E-19 0.010\n306.0 0.482E-19 0.009\n307.0 0.496E-19 0.009\n308.0 0.513E-19 0.008\n309.0 0.530E-19 0.008\n310.0 0.544E-19 0.008\n311.0 0.558E-19 0.007\n312.0 0.573E-19 0.007\n313.0 0.587E-19 0.006\n314.0 0.602E-19 0.006\n316.0 0.628E-19 0.005\n320.0 0.670E-19 0.004\n325.0 0.695E-19 0.003\n330.0 0.728E-19 0.003\n335.0 0.694E-19 0.002\n340.0 0.644E-19 0.001\n345.0 0.623E-19 0.001\n350.0 0.520E-19 0.001\n355.0 0.415E-19 0.001\n360.0 0.368E-19 0.000\n365.0 0.303E-19 0.000\n370.0 0.188E-19 0.000\n375.0 0.131E-19 0.000\n380.0 0.105E-19 0.000\n385.0 0.757E-20 0.000\n390.0 0.344E-20 0.000\n395.0 0.207E-20 0.000\n400.0 0.000E+00 0.000\n405.0 0.000E+00 0.000\n410.0 0.000E+00 0.000\n415.0 0.000E+00 0.000\n420.0 0.000E+00 0.000\n425.0 0.000E+00 0.000\n430.0 0.000E+00 0.000\n435.0 0.000E+00 0.000\n440.0 0.000E+00 0.000\n445.0 0.000E+00 0.000\n450.0 0.000E+00 0.000\n455.0 0.000E+00 0.000\n460.0 0.000E+00 0.000\n465.0 0.000E+00 0.000\n470.0 0.000E+00 0.000\n475.0 0.000E+00 0.000\n480.0 0.000E+00 0.000\n485.0 0.000E+00 0.000\n490.0 0.000E+00 0.000\n495.0 0.000E+00 0.000\n500.0 0.000E+00 0.000\n505.0 0.000E+00 0.000\n510.0 0.000E+00 0.000\n515.0 0.000E+00 0.000\n520.0 0.000E+00 0.000\n525.0 0.000E+00 0.000\n530.0 0.000E+00 0.000\n535.0 0.000E+00 0.000\n540.0 0.000E+00 0.000\n545.0 0.000E+00 0.000\n550.0 0.000E+00 0.000\n555.0 0.000E+00 0.000\n560.0 0.000E+00 0.000\n565.0 0.000E+00 0.000\n570.0 0.000E+00 0.000\n575.0 0.000E+00 0.000\n580.0 0.000E+00 0.000\n585.0 0.000E+00 0.000\n590.0 0.000E+00 0.000\n595.0 0.000E+00 0.000\n600.0 0.000E+00 0.000\n605.0 0.000E+00 0.000\n610.0 0.000E+00 0.000\n615.0 0.000E+00 0.000\n620.0 0.000E+00 0.000\n625.0 0.000E+00 0.000\n630.0 0.000E+00 0.000\n635.0 0.000E+00 0.000\n640.0 0.000E+00 0.000\n644.8 0.000E+00 0.000\n651.0 0.000E+00 0.000\n660.0 0.000E+00 0.000\n670.0 0.000E+00 0.000\n680.0 0.000E+00 0.000\n690.0 0.000E+00 0.000\n700.0 0.000E+00 0.000\n710.0 0.000E+00 0.000\n720.0 0.000E+00 0.000\n730.0 0.000E+00 0.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/N2O5_IUPAC04", "content": "N2O5_IUPAC04\n!N2O5 + HV = NO2 + NO3\n! From IUPAC Subcommittee on Gas Kinetic Data Evaluation\n! Data Sheet PNOx7_N2O5, updated 16th July 2001\n! Website: http://www.iupac-kinetic.ch.cam.ac.uk/\n!NASA JPL-2011 below 280nm\nPoints (! These are point values)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n200.0 9.10E-18 0.000\n202.0 8.42E-18 0.000\n204.0 7.71E-18 0.000\n206.0 6.82E-18 0.000\n208.0 5.85E-18 0.000\n210.0 4.45E-18 0.000\n212.0 3.81E-18 0.000\n214.0 3.22E-18 0.000\n216.0 2.67E-18 0.000\n218.0 2.20E-18 0.000\n220.0 1.81E-18 0.000\n222.0 1.51E-18 0.011\n224.0 1.29E-18 0.037\n226.0 1.13E-18 0.063\n228.0 9.84E-19 0.088\n230.0 8.82E-19 0.114\n232.0 8.05E-19 0.139\n234.0 7.40E-19 0.165\n236.0 6.92E-19 0.191\n238.0 6.46E-19 0.216\n240.0 5.98E-19 0.242\n242.0 5.31E-19 0.267\n244.0 4.93E-19 0.293\n246.0 4.56E-19 0.319\n248.0 4.19E-19 0.344\n250.0 3.86E-19 0.370\n252.0 3.55E-19 0.396\n254.0 3.26E-19 0.421\n256.0 2.99E-19 0.447\n258.0 2.75E-19 0.472\n260.0 2.52E-19 0.498\n262.0 2.31E-19 0.524\n264.0 2.11E-19 0.549\n266.0 1.94E-19 0.575\n268.0 1.78E-19 0.601\n270.0 1.62E-19 0.626\n272.0 1.49E-19 0.652\n274.0 1.37E-19 0.677\n276.0 1.24E-19 0.703\n278.0 1.14E-19 0.729\n280.0 1.110E-19 0.74\n285.0 8.590E-20 0.79\n290.0 6.710E-20 0.85\n295.0 5.110E-20 0.93\n300.0 3.870E-20 1.0\n305.0 2.910E-20 1.0\n310.0 2.170E-20 1.0\n315.0 1.620E-20 1.0\n320.0 1.210E-20 1.0\n325.0 8.900E-21 1.0\n330.0 6.700E-21 1.0\n335.0 5.000E-21 1.0\n340.0 3.800E-21 1.0\n345.0 2.790E-21 1.0\n350.0 2.150E-21 1.0\n355.0 1.640E-21 1.0\n360.0 1.240E-21 1.0\n365.0 9.100E-22 1.0\n370.0 7.200E-22 1.0\n375.0 5.300E-22 1.0\n380.0 4.100E-22 1.0\n385.0 3.200E-22 1.0\n390.0 2.280E-22 1.0\n395.0 1.710E-22 1.0\n400.0 1.380E-22 1.0\n405.0 1.030E-22 1.0\n410.0 8.000E-23 1.0\n411.0 0.000E+00 1.0\n415.0 0.000E+00 1.0\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/N2O5_IUPAC10", "content": "N2O5_IUPAC10\n! j(N2O5) IUPAC(2010) \n! N2O5 = NO2 + NO3 \n! From IUPAC Subcommittee on Gas Kinetic Data Evaluation\n! Data Sheet PNOx7, updated 16th Jul, 2001 \n!NASA JPL-2011 below 280nm\nPoints (! These are point values)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n200.0 9.10E-18 0.000\n202.0 8.42E-18 0.000\n204.0 7.71E-18 0.000\n206.0 6.82E-18 0.000\n208.0 5.85E-18 0.000\n210.0 4.45E-18 0.000\n212.0 3.81E-18 0.000\n214.0 3.22E-18 0.000\n216.0 2.67E-18 0.000\n218.0 2.20E-18 0.000\n220.0 1.81E-18 0.000\n222.0 1.51E-18 0.011\n224.0 1.29E-18 0.037\n226.0 1.13E-18 0.063\n228.0 9.84E-19 0.088\n230.0 8.82E-19 0.114\n232.0 8.05E-19 0.139\n234.0 7.40E-19 0.165\n236.0 6.92E-19 0.191\n238.0 6.46E-19 0.216\n240.0 5.98E-19 0.242\n242.0 5.31E-19 0.267\n244.0 4.93E-19 0.293\n246.0 4.56E-19 0.319\n248.0 4.19E-19 0.344\n250.0 3.86E-19 0.370\n252.0 3.55E-19 0.396\n254.0 3.26E-19 0.421\n256.0 2.99E-19 0.447\n258.0 2.75E-19 0.472\n260.0 2.52E-19 0.498\n262.0 2.31E-19 0.524\n264.0 2.11E-19 0.549\n266.0 1.94E-19 0.575\n268.0 1.78E-19 0.601\n270.0 1.62E-19 0.626\n272.0 1.49E-19 0.652\n274.0 1.37E-19 0.677\n276.0 1.24E-19 0.703\n278.0 1.14E-19 0.729\n280.0 1.110E-19 0.740\n285.0 8.590E-20 0.790\n290.0 6.710E-20 0.850\n295.0 5.110E-20 0.930\n300.0 3.870E-20 1.000\n305.0 2.910E-20 1.000\n310.0 2.170E-20 1.000\n315.0 1.620E-20 1.000\n320.0 1.210E-20 1.000\n325.0 8.900E-21 1.000\n330.0 6.700E-21 1.000\n335.0 5.000E-21 1.000\n340.0 3.800E-21 1.000\n345.0 2.790E-21 1.000\n350.0 2.150E-21 1.000\n355.0 1.640E-21 1.000\n360.0 1.240E-21 1.000\n365.0 9.100E-22 1.000\n370.0 7.200E-22 1.000\n375.0 5.300E-22 1.000\n380.0 4.100E-22 1.000\n385.0 3.200E-22 1.000\n390.0 2.280E-22 1.000\n395.0 1.710E-22 1.000\n400.0 1.380E-22 1.000\n405.0 1.030E-22 1.000\n410.0 8.000E-23 1.000\n411.0 0.000E+00 1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/N2O5_NO2_JPL11", "content": "N2O5_NO2_JPL11\n! j(N2O5_NO2) \n! N2O5 = NO2 + NO3 \n! Cross-section from JPL 2011\n! Quantum Yields based on linear regression from available data\n! phi = 1 for l < 221.11820\n! phi = -2.832441 + 0.012809638 * l for 221.11820 <= l <= 299.18441\n! phi = 0 for l > 299.18441\nPoints (! These are point values)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n200.0 9.10E-18 0.000\n202.0 8.42E-18 0.000\n204.0 7.71E-18 0.000\n206.0 6.82E-18 0.000\n208.0 5.85E-18 0.000\n210.0 4.45E-18 0.000\n212.0 3.81E-18 0.000\n214.0 3.22E-18 0.000\n216.0 2.67E-18 0.000\n218.0 2.20E-18 0.000\n220.0 1.81E-18 0.000\n222.0 1.51E-18 0.011\n224.0 1.29E-18 0.037\n226.0 1.13E-18 0.063\n228.0 9.84E-19 0.088\n230.0 8.82E-19 0.114\n232.0 8.05E-19 0.139\n234.0 7.40E-19 0.165\n236.0 6.92E-19 0.191\n238.0 6.46E-19 0.216\n240.0 5.98E-19 0.242\n242.0 5.31E-19 0.267\n244.0 4.93E-19 0.293\n246.0 4.56E-19 0.319\n248.0 4.19E-19 0.344\n250.0 3.86E-19 0.370\n252.0 3.55E-19 0.396\n254.0 3.26E-19 0.421\n256.0 2.99E-19 0.447\n258.0 2.75E-19 0.472\n260.0 2.52E-19 0.498\n262.0 2.31E-19 0.524\n264.0 2.11E-19 0.549\n266.0 1.94E-19 0.575\n268.0 1.78E-19 0.601\n270.0 1.62E-19 0.626\n272.0 1.49E-19 0.652\n274.0 1.37E-19 0.677\n276.0 1.24E-19 0.703\n278.0 1.14E-19 0.729\n280.0 1.05E-19 0.754\n282.0 9.59E-20 0.780\n284.0 8.74E-20 0.805\n286.0 7.94E-20 0.831\n288.0 7.20E-20 0.857\n290.0 6.52E-20 0.882\n292.0 5.88E-20 0.908\n294.0 5.29E-20 0.934\n296.0 4.75E-20 0.959\n298.0 4.26E-20 0.985\n300.0 3.81E-20 1.000\n302.0 3.40E-20 1.000\n304.0 3.03E-20 1.000\n306.0 2.70E-20 1.000\n308.0 2.40E-20 1.000\n310.0 2.13E-20 1.000\n312.0 1.90E-20 1.000\n314.0 1.68E-20 1.000\n316.0 1.49E-20 1.000\n318.0 1.33E-20 1.000\n320.0 1.18E-20 1.000\n322.0 1.05E-20 1.000\n324.0 9.30E-21 1.000\n326.0 8.26E-21 1.000\n328.0 7.35E-21 1.000\n330.0 6.54E-21 1.000\n332.0 5.82E-21 1.000\n334.0 5.18E-21 1.000\n336.0 4.62E-21 1.000\n338.0 4.12E-21 1.000\n340.0 3.68E-21 1.000\n342.0 3.28E-21 1.000\n344.0 2.93E-21 1.000\n346.0 2.62E-21 1.000\n348.0 2.34E-21 1.000\n350.0 2.10E-21 1.000\n352.0 1.88E-21 1.000\n354.0 1.67E-21 1.000\n356.0 1.49E-21 1.000\n358.0 1.33E-21 1.000\n360.0 1.20E-21 1.000\n362.0 1.07E-21 1.000\n364.0 9.58E-22 1.000\n366.0 8.52E-22 1.000\n368.0 7.63E-22 1.000\n370.0 6.85E-22 1.000\n372.0 6.13E-22 1.000\n374.0 5.45E-22 1.000\n376.0 4.84E-22 1.000\n378.0 4.31E-22 1.000\n380.0 3.83E-22 1.000\n382.0 3.41E-22 1.000\n384.0 3.05E-22 1.000\n386.0 2.73E-22 1.000\n388.0 2.42E-22 1.000\n390.0 2.15E-22 1.000\n392.0 1.93E-22 1.000\n394.0 1.72E-22 1.000\n396.0 1.50E-22 1.000\n398.0 1.34E-22 1.000\n400.0 1.40E-22 1.000\n410.0 9.00E-23 1.000\n420.0 5.00E-23 1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/N2O5_O3P_JPL11", "content": "N2O5_O3P_JPL11\n! j(N2O5_O3P)\n! N2O5 = NO3 + NO + O3P\n! Cross-section from JPL 2011\n! Quantum Yields based on linear regression from available data\n! phi = 0 for l < 221.11820\n! phi = 3.832441-0.012809638*l for 221.11820 <= l <= 299.18441\n! phi = 1 for l > 299.18441\nPoints (! These are point values)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n200.0 9.10E-18 1.000\n202.0 8.42E-18 1.000\n204.0 7.71E-18 1.000\n206.0 6.82E-18 1.000\n208.0 5.85E-18 1.000\n210.0 4.45E-18 1.000\n212.0 3.81E-18 1.000\n214.0 3.22E-18 1.000\n216.0 2.67E-18 1.000\n218.0 2.20E-18 1.000\n220.0 1.81E-18 1.000\n222.0 1.51E-18 0.989\n224.0 1.29E-18 0.963\n226.0 1.13E-18 0.937\n228.0 9.84E-19 0.912\n230.0 8.82E-19 0.886\n232.0 8.05E-19 0.861\n234.0 7.40E-19 0.835\n236.0 6.92E-19 0.809\n238.0 6.46E-19 0.784\n240.0 5.98E-19 0.758\n242.0 5.31E-19 0.733\n244.0 4.93E-19 0.707\n246.0 4.56E-19 0.681\n248.0 4.19E-19 0.656\n250.0 3.86E-19 0.630\n252.0 3.55E-19 0.604\n254.0 3.26E-19 0.579\n256.0 2.99E-19 0.553\n258.0 2.75E-19 0.528\n260.0 2.52E-19 0.502\n262.0 2.31E-19 0.476\n264.0 2.11E-19 0.451\n266.0 1.94E-19 0.425\n268.0 1.78E-19 0.399\n270.0 1.62E-19 0.374\n272.0 1.49E-19 0.348\n274.0 1.37E-19 0.323\n276.0 1.24E-19 0.297\n278.0 1.14E-19 0.271\n280.0 1.05E-19 0.246\n282.0 9.59E-20 0.220\n284.0 8.74E-20 0.195\n286.0 7.94E-20 0.169\n288.0 7.20E-20 0.143\n290.0 6.52E-20 0.118\n292.0 5.88E-20 0.092\n294.0 5.29E-20 0.066\n296.0 4.75E-20 0.041\n298.0 4.26E-20 0.015\n300.0 3.81E-20 0.000\n302.0 3.40E-20 0.000\n304.0 3.03E-20 0.000\n306.0 2.70E-20 0.000\n308.0 2.40E-20 0.000\n310.0 2.13E-20 0.000\n312.0 1.90E-20 0.000\n314.0 1.68E-20 0.000\n316.0 1.49E-20 0.000\n318.0 1.33E-20 0.000\n320.0 1.18E-20 0.000\n322.0 1.05E-20 0.000\n324.0 9.30E-21 0.000\n326.0 8.26E-21 0.000\n328.0 7.35E-21 0.000\n330.0 6.54E-21 0.000\n332.0 5.82E-21 0.000\n334.0 5.18E-21 0.000\n336.0 4.62E-21 0.000\n338.0 4.12E-21 0.000\n340.0 3.68E-21 0.000\n342.0 3.28E-21 0.000\n344.0 2.93E-21 0.000\n346.0 2.62E-21 0.000\n348.0 2.34E-21 0.000\n350.0 2.10E-21 0.000\n352.0 1.88E-21 0.000\n354.0 1.67E-21 0.000\n356.0 1.49E-21 0.000\n358.0 1.33E-21 0.000\n360.0 1.20E-21 0.000\n362.0 1.07E-21 0.000\n364.0 9.58E-22 0.000\n366.0 8.52E-22 0.000\n368.0 7.63E-22 0.000\n370.0 6.85E-22 0.000\n372.0 6.13E-22 0.000\n374.0 5.45E-22 0.000\n376.0 4.84E-22 0.000\n378.0 4.31E-22 0.000\n380.0 3.83E-22 0.000\n382.0 3.41E-22 0.000\n384.0 3.05E-22 0.000\n386.0 2.73E-22 0.000\n388.0 2.42E-22 0.000\n390.0 2.15E-22 0.000\n392.0 1.93E-22 0.000\n394.0 1.72E-22 0.000\n396.0 1.50E-22 0.000\n398.0 1.34E-22 0.000\n400.0 1.40E-22 0.000\n410.0 9.00E-23 0.000\n420.0 5.00E-23 0.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/NC3CHO_M_MCMv32", "content": "NC3CHO_M_MCMv32\n!n-C3H7CHO 298 K (n-butyraldehyde, n-butanal) photolysis cross-sections\n! n-C3H7CHO --> C2H4 + CH3CHO:phi20 = 0.10 from 290 to 380 nm (1 bar, 298K)\n!IUPAC 2002 Recommendation\n!http://iupac.pole-ether.fr/htdocs/datasheets/pdf/P11_nC3H7CHO+hv.pdf\n! R. D. Martinez, A. A. Buitrago, N. W. Howell, C. H. Hearn, and J. A. Joens, Atmos. Env. 26A, 785 (1992) \n!\n!Photolysis QYs: IUPAC 2002 Recommendation which are lower than\n! J. Tadic, I. Juranic and G. K. Moortgat, (2001). Pressure dependence of the photooxidation of selected \n! carbonyl compounds in air: n-butanal and n-pentanal. J. Photchem. Photobiol. A: Chemisty, 143, 169-179.\n!\n!J16 in MCM:n-C3H7CHO --> C2H4 + CH3CHO:phi20 = 0.10 from 290 to 380 nm (1 bar, 298K)\n!Pressure Correction: phiX = 2.6468*phiX0/(1.81 + 1.931e-3*P[Torr]), X=1,2\n!Scale Factor: 1.0\n!\n!wvl(nm) XC(cm^2) QY\nPoints \n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n202.0 1.780E-22 0.100\n206.0 3.160E-22 0.100\n210.0 4.750E-22 0.100\n214.0 6.230E-22 0.100\n218.0 7.710E-22 0.100\n222.0 8.500E-22 0.100\n226.0 1.020E-21 0.100\n230.0 1.330E-21 0.100\n234.0 2.020E-21 0.100\n238.0 3.160E-21 0.100\n242.0 4.880E-21 0.100\n246.0 7.240E-21 0.100\n250.0 1.050E-20 0.100\n254.0 1.450E-20 0.100\n258.0 1.930E-20 0.100\n262.0 2.520E-20 0.100\n266.0 3.090E-20 0.100\n270.0 3.810E-20 0.100\n274.0 4.340E-20 0.100\n278.0 5.020E-20 0.100\n280.0 5.180E-20 0.100\n281.0 5.220E-20 0.100\n282.0 5.300E-20 0.100\n283.0 5.450E-20 0.100\n284.0 5.650E-20 0.100\n285.0 5.810E-20 0.100\n286.0 5.900E-20 0.100\n287.0 5.890E-20 0.100\n288.0 5.850E-20 0.100\n289.0 5.800E-20 0.100\n290.0 5.780E-20 0.100\n291.0 5.830E-20 0.100\n292.0 5.930E-20 0.100\n293.0 6.050E-20 0.100\n294.0 6.100E-20 0.100\n295.0 6.030E-20 0.100\n296.0 5.870E-20 0.100\n297.0 5.690E-20 0.100\n298.0 5.560E-20 0.100\n299.0 5.460E-20 0.100\n300.0 5.420E-20 0.100\n301.0 5.430E-20 0.100\n302.0 5.440E-20 0.100\n303.0 5.430E-20 0.100\n304.0 5.320E-20 0.100\n305.0 5.080E-20 0.100\n306.0 4.790E-20 0.100\n307.0 4.500E-20 0.100\n308.0 4.290E-20 0.100\n309.0 4.150E-20 0.100\n310.0 4.070E-20 0.100\n311.0 4.000E-20 0.100\n312.0 3.920E-20 0.100\n313.0 3.820E-20 0.100\n314.0 3.690E-20 0.100\n315.0 3.460E-20 0.100\n316.0 3.170E-20 0.100\n317.0 2.850E-20 0.100\n318.0 2.570E-20 0.100\n319.0 2.370E-20 0.100\n320.0 2.250E-20 0.100\n321.0 2.180E-20 0.100\n322.0 2.070E-20 0.100\n323.0 1.960E-20 0.100\n324.0 1.820E-20 0.100\n325.0 1.690E-20 0.100\n326.0 1.550E-20 0.100\n327.0 1.390E-20 0.100\n328.0 1.220E-20 0.100\n329.0 1.040E-20 0.100\n330.0 8.680E-21 0.100\n331.0 7.340E-21 0.100\n332.0 6.470E-21 0.100\n333.0 6.020E-21 0.100\n334.0 5.540E-21 0.100\n335.0 4.850E-21 0.100\n336.0 4.170E-21 0.100\n337.0 3.460E-21 0.100\n338.0 2.850E-21 0.100\n339.0 2.420E-21 0.100\n340.0 2.150E-21 0.100\n341.0 1.910E-21 0.100\n342.0 1.440E-21 0.100\n343.0 9.300E-22 0.100\n344.0 5.900E-22 0.100\n345.0 4.100E-22 0.100\n346.0 3.100E-22 0.100\n347.0 2.600E-22 0.100\n348.0 2.300E-22 0.100\n349.0 1.800E-22 0.100\n350.0 1.500E-22 0.100\n351.0 1.400E-22 0.100\n352.0 1.200E-22 0.100\n353.0 1.000E-22 0.100\n354.0 8.000E-23 0.100\n355.0 6.000E-23 0.100\n356.0 5.000E-23 0.100\n357.0 4.000E-23 0.100\n358.0 3.000E-23 0.100\n359.0 2.000E-23 0.100\n360.0 2.000E-23 0.100\n361.0 2.000E-23 0.100\n362.0 1.000E-23 0.100\n363.0 1.000E-23 0.100\n364.0 1.000E-23 0.100\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/NC3CHO_R_MCMv32", "content": "NC3CHO_R_MCMv32\n!n-C3H7CHO 298 K (n-butyraldehyde, n-butanal) photolysis cross-sections\n! n-C3H7CHO --> C2H4 + CH3CHO:phi20 = 0.10 from 290 to 380 nm (1 bar, 298K)\n!IUPAC 2002 Recommendation\n!http://iupac.pole-ether.fr/htdocs/datasheets/pdf/P11_nC3H7CHO+hv.pdf\n! R. D. Martinez, A. A. Buitrago, N. W. Howell, C. H. Hearn, and J. A. Joens, Atmos. Env. 26A, 785 (1992) \n!\n!Photolysis QYs: IUPAC 2002 Recommendation which are lower than\n! J. Tadic, I. Juranic and G. K. Moortgat, (2001). Pressure dependence of the photooxidation of selected \n! carbonyl compounds in air: n-butanal and n-pentanal. J. Photchem. Photobiol. A: Chemisty, 143, 169-179.\n!\n!J15 in MCM v3.2:n-C3H7CHO --> n-C3H7 + HCO:phi10 = 0.21 from 290 to 380 nm (1 bar, 298K)\n!Pressure Correction: phiX = 2.6468*phiX0/(1.81 + 1.931e-3*P[Torr]), X=1,2\n!Scale Factor: 1.0\n!\n!wvl(nm) XC(cm^2) QY\nPoints \n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n202.0 1.780E-22 0.210\n206.0 3.160E-22 0.210\n210.0 4.750E-22 0.210\n214.0 6.230E-22 0.210\n218.0 7.710E-22 0.210\n222.0 8.500E-22 0.210\n226.0 1.020E-21 0.210\n230.0 1.330E-21 0.210\n234.0 2.020E-21 0.210\n238.0 3.160E-21 0.210\n242.0 4.880E-21 0.210\n246.0 7.240E-21 0.210\n250.0 1.050E-20 0.210\n254.0 1.450E-20 0.210\n258.0 1.930E-20 0.210\n262.0 2.520E-20 0.210\n266.0 3.090E-20 0.210\n270.0 3.810E-20 0.210\n274.0 4.340E-20 0.210\n278.0 5.020E-20 0.210\n280.0 5.180E-20 0.210\n281.0 5.220E-20 0.210\n282.0 5.300E-20 0.210\n283.0 5.450E-20 0.210\n284.0 5.650E-20 0.210\n285.0 5.810E-20 0.210\n286.0 5.900E-20 0.210\n287.0 5.890E-20 0.210\n288.0 5.850E-20 0.210\n289.0 5.800E-20 0.210\n290.0 5.780E-20 0.210\n291.0 5.830E-20 0.210\n292.0 5.930E-20 0.210\n293.0 6.050E-20 0.210\n294.0 6.100E-20 0.210\n295.0 6.030E-20 0.210\n296.0 5.870E-20 0.210\n297.0 5.690E-20 0.210\n298.0 5.560E-20 0.210\n299.0 5.460E-20 0.210\n300.0 5.420E-20 0.210\n301.0 5.430E-20 0.210\n302.0 5.440E-20 0.210\n303.0 5.430E-20 0.210\n304.0 5.320E-20 0.210\n305.0 5.080E-20 0.210\n306.0 4.790E-20 0.210\n307.0 4.500E-20 0.210\n308.0 4.290E-20 0.210\n309.0 4.150E-20 0.210\n310.0 4.070E-20 0.210\n311.0 4.000E-20 0.210\n312.0 3.920E-20 0.210\n313.0 3.820E-20 0.210\n314.0 3.690E-20 0.210\n315.0 3.460E-20 0.210\n316.0 3.170E-20 0.210\n317.0 2.850E-20 0.210\n318.0 2.570E-20 0.210\n319.0 2.370E-20 0.210\n320.0 2.250E-20 0.210\n321.0 2.180E-20 0.210\n322.0 2.070E-20 0.210\n323.0 1.960E-20 0.210\n324.0 1.820E-20 0.210\n325.0 1.690E-20 0.210\n326.0 1.550E-20 0.210\n327.0 1.390E-20 0.210\n328.0 1.220E-20 0.210\n329.0 1.040E-20 0.210\n330.0 8.680E-21 0.210\n331.0 7.340E-21 0.210\n332.0 6.470E-21 0.210\n333.0 6.020E-21 0.210\n334.0 5.540E-21 0.210\n335.0 4.850E-21 0.210\n336.0 4.170E-21 0.210\n337.0 3.460E-21 0.210\n338.0 2.850E-21 0.210\n339.0 2.420E-21 0.210\n340.0 2.150E-21 0.210\n341.0 1.910E-21 0.210\n342.0 1.440E-21 0.210\n343.0 9.300E-22 0.210\n344.0 5.900E-22 0.210\n345.0 4.100E-22 0.210\n346.0 3.100E-22 0.210\n347.0 2.600E-22 0.210\n348.0 2.300E-22 0.210\n349.0 1.800E-22 0.210\n350.0 1.500E-22 0.210\n351.0 1.400E-22 0.210\n352.0 1.200E-22 0.210\n353.0 1.000E-22 0.210\n354.0 8.000E-23 0.210\n355.0 6.000E-23 0.210\n356.0 5.000E-23 0.210\n357.0 4.000E-23 0.210\n358.0 3.000E-23 0.210\n359.0 2.000E-23 0.210\n360.0 2.000E-23 0.210\n361.0 2.000E-23 0.210\n362.0 1.000E-23 0.210\n363.0 1.000E-23 0.210\n364.0 1.000E-23 0.210\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/NITROXY_ACET_2014", "content": "NOA_14\n!nitrooxy-acetone (NOA) photolysis cross sections (298 K) as MCM\n!Data form the MPI-Mainz spectral atlas:\n!http://www.atmosphere.mpg.de/enid/2295\n!Average of:\n!1. I. Barnes, K.H. Becker, and T. Zhu \n!J. Atmos. Chem. 17, 353-373 (1993).\n!2. J.M. Roberts and R.W. Fajer \n!Environ. Sci. Technol. 23, 945-951 (1989).\n!\n!quantum yields: set to 1.0 as per Suarez-Bertoa et al., Env. Sci. Tech., \n! Vol. 46,12502-12509, 2012\n!\nPoints (the mechanism evaluated with this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n245.0 2.29E-19 1.0 \n250.0 1.47E-19 1.0 \n255.0 1.07E-19 1.0 \n260.0 8.53E-20 1.0 \n265.0 7.63E-20 1.0 \n270.0 7.29E-20 1.0\n275.0 7.02E-20 1.0\n280.0 6.67E-20 1.0\n285.0 6.25E-20 1.0\n290.0 5.83E-20 1.0\n295.0 5.18E-20 1.0\n300.0 4.48E-20 1.0\n305.0 3.61E-20 1.0\n310.0 2.69E-20 1.0\n315.0 1.86E-20 1.0\n320.0 1.31E-20 1.0\n325.0 7.90E-21 1.0\n330.0 4.55E-21 1.0\n335.0 2.20E-21 1.0\n340.0 1.60E-21 1.0\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/NITROXY_ACET_93", "content": "NOA\n!nitrooxy-acetone (NOA) photolysis cross sections (298 K) as MCM\n!Data form the MPI-Mainz spectral atlas:\n!http://www.atmosphere.mpg.de/enid/2295\n!Average of:\n!1. I. Barnes, K.H. Becker, and T. Zhu \n!J. Atmos. Chem. 17, 353-373 (1993).\n!2. J.M. Roberts and R.W. Fajer \n!Environ. Sci. Technol. 23, 945-951 (1989).\n!\n!quantum yields: estimated by analogy to the photolysis of ethyl nitrate and acetone as MCM \n!\nPoints (the mechanism evaluated with this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n245.0 2.29E-19 0.94\n250.0 1.47E-19 0.94\n255.0 1.07E-19 0.94\n260.0 8.53E-20 0.94\n265.0 7.63E-20 0.92\n270.0 7.29E-20 0.9\n275.0 7.02E-20 0.85\n280.0 6.67E-20 0.8\n285.0 6.25E-20 0.75\n290.0 5.83E-20 0.65\n295.0 5.18E-20 0.56\n300.0 4.48E-20 0.47\n305.0 3.61E-20 0.39\n310.0 2.69E-20 0.32\n315.0 1.86E-20 0.262\n320.0 1.31E-20 0.193\n325.0 7.90E-21 0.164\n330.0 4.55E-21 0.125\n335.0 2.20E-21 0.137\n340.0 1.60E-21 0.139\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/NITROXY_BUTA_2014", "content": "NBO_14\n!3-nitrooxy-2-butanone photolysis cross sections (298 K) \n!http://www.atmosphere.mpg.de/enid/2295\n!1. I. Barnes, K.H. Becker, and T. Zhu \n!J. Atmos. Chem. 17, 353-373 (1993).\n! quantum yields = 1 as per Muller (ACP, 14, 2497-2508, 2014) and Suarez-Bertoa \n! ES&T, 46, 12502-12509 (2012)\n!\nPoints (the mechanism evaluated with this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n245 2.934e-19 1.0\n250 2.114e-19 1.0\n255 1.644e-19 1.0\n260 1.424e-19 1.0\n265 1.332e-19 1.0\n270 1.298e-19 1.0\n275 1.273e-19 1.0\n280 1.229e-19 1.0\n285 1.155e-19 1.0\n290 1.036e-19 1.0\n295 9.110e-20 1.0\n300 7.360e-20 1.0\n305 5.850e-20 1.0\n310 4.180e-20 1.0\n315 2.820e-20 1.0\n320 1.850e-20 1.0\n325 1.070e-20 1.0\n330 6.800e-21 1.0\n335 4.900e-21 1.0\n340 4.400e-21 1.0\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/NO2-06", "content": "NO2-06 \n! NO2 + HV = NO + O \n! From NASA (2006). \n! Absorption cross sections are averages for wavelength intervals given. \n! Data alligned to smallest wavelength intervals for abs. coefs and qy's. \n! \nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n242.0 5.770E-20 1.0000\n245.0 2.790E-20 1.0000\n248.0 1.620E-20 1.0000\n252.0 9.980E-21 1.0000\n255.0 1.050E-20 1.0000\n258.0 1.280E-20 1.0000\n261.0 1.580E-20 1.0000\n265.0 2.050E-20 1.0000\n268.0 2.640E-20 1.0000\n272.0 3.240E-20 1.0000\n276.0 4.070E-20 1.0000\n280.0 5.210E-20 1.0000\n284.0 6.230E-20 1.0000\n288.0 7.590E-20 1.0000\n292.0 9.510E-20 1.0000\n296.0 1.150E-19 1.0000\n301.0 1.320E-19 1.0000\n305.0 1.610E-19 1.0000\n310.0 1.880E-19 1.0000\n315.0 2.160E-19 1.0000\n320.0 2.530E-19 1.0000\n325.0 2.870E-19 1.0000\n330.0 3.170E-19 1.0000\n335.0 3.580E-19 1.0000\n340.0 4.020E-19 1.0000\n345.0 4.180E-19 1.0000\n350.0 4.620E-19 1.0000\n355.0 4.970E-19 1.0000\n360.0 5.090E-19 1.0000\n365.0 5.490E-19 1.0000\n370.0 5.610E-19 1.0000\n375.0 5.900E-19 1.0000\n380.0 5.930E-19 1.0000\n385.0 6.010E-19 1.0000\n390.0 6.300E-19 1.0000\n395.0 5.970E-19 1.0000\n398.0 6.252E-19 1.0000\n399.0 6.346E-19 0.9500\n400.0 6.440E-19 0.8800\n401.0 6.316E-19 0.7500\n402.0 6.192E-19 0.6200\n403.0 6.068E-19 0.5300\n404.0 5.944E-19 0.4400\n405.0 5.820E-19 0.3700\n406.0 5.904E-19 0.3000\n407.0 5.988E-19 0.2600\n408.0 6.072E-19 0.2200\n409.0 6.156E-19 0.1800\n410.0 6.240E-19 0.1500\n411.0 6.174E-19 0.1300\n412.0 6.108E-19 0.1100\n413.0 6.042E-19 0.0900\n414.0 5.976E-19 0.0800\n415.0 5.910E-19 0.0600\n416.0 5.926E-19 0.0500\n417.0 5.942E-19 0.0400\n418.0 5.958E-19 0.0300\n419.0 5.974E-19 0.0200\n420.0 5.990E-19 0.0200\n422.0 5.874E-19 0.0100\n424.0 5.758E-19 0.0000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/NO2EX", "content": "NO2EX \n! NO2 + HV = NO2* \n! From NASA (2006), for 294 K. \n! Absorption cross sections are averages for wavelength intervals given. \n! Data alligned to smallest wavelength intervals for abs. coefs and qy's. \n! \nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n242.0 5.770E-20 0.0000\n245.0 2.790E-20 0.0000\n248.0 1.620E-20 0.0000\n252.0 9.980E-21 0.0000\n255.0 1.050E-20 0.0000\n258.0 1.280E-20 0.0000\n261.0 1.580E-20 0.0000\n265.0 2.050E-20 0.0000\n268.0 2.640E-20 0.0000\n272.0 3.240E-20 0.0000\n276.0 4.070E-20 0.0000\n280.0 5.210E-20 0.0000\n284.0 6.230E-20 0.0000\n288.0 7.590E-20 0.0000\n292.0 9.510E-20 0.0000\n296.0 1.150E-19 0.0000\n301.0 1.320E-19 0.0000\n305.0 1.610E-19 0.0000\n310.0 1.880E-19 0.0000\n315.0 2.160E-19 0.0000\n320.0 2.530E-19 0.0000\n325.0 2.870E-19 0.0000\n330.0 3.170E-19 0.0000\n335.0 3.580E-19 0.0000\n340.0 4.020E-19 0.0000\n345.0 4.180E-19 0.0000\n350.0 4.620E-19 0.0000\n355.0 4.970E-19 0.0000\n360.0 5.090E-19 0.0000\n365.0 5.490E-19 0.0000\n370.0 5.610E-19 0.0000\n375.0 5.900E-19 0.0000\n380.0 5.930E-19 0.0000\n385.0 6.010E-19 0.0000\n390.0 6.300E-19 0.0000\n395.0 5.970E-19 0.0000\n398.0 6.252E-19 0.0000\n399.0 6.346E-19 0.0500\n400.0 6.440E-19 0.1200\n401.0 6.316E-19 0.2500\n402.0 6.192E-19 0.3800\n403.0 6.068E-19 0.4700\n404.0 5.944E-19 0.5600\n405.0 5.820E-19 0.6300\n406.0 5.904E-19 0.7000\n407.0 5.988E-19 0.7400\n408.0 6.072E-19 0.7800\n409.0 6.156E-19 0.8200\n410.0 6.240E-19 0.8500\n411.0 6.174E-19 0.8700\n412.0 6.108E-19 0.8900\n413.0 6.042E-19 0.9100\n414.0 5.976E-19 0.9200\n415.0 5.910E-19 0.9400\n416.0 5.926E-19 0.9500\n417.0 5.942E-19 0.9600\n418.0 5.958E-19 0.9700\n419.0 5.974E-19 0.9800\n420.0 5.990E-19 0.9800\n422.0 5.874E-19 0.9900\n424.0 5.758E-19 1.0000\n425.0 5.700E-19 1.0000\n430.0 5.440E-19 1.0000\n435.0 5.590E-19 1.0000\n440.0 4.880E-19 1.0000\n445.0 4.880E-19 1.0000\n450.0 4.980E-19 1.0000\n455.0 4.160E-19 1.0000\n460.0 4.360E-19 1.0000\n465.0 4.140E-19 1.0000\n470.0 3.370E-19 1.0000\n475.0 3.870E-19 1.0000\n480.0 3.370E-19 1.0000\n485.0 2.540E-19 1.0000\n490.0 3.080E-19 1.0000\n495.0 2.940E-19 1.0000\n500.0 1.820E-19 1.0000\n505.0 2.430E-19 1.0000\n510.0 2.310E-19 1.0000\n515.0 1.600E-19 1.0000\n520.0 1.610E-19 1.0000\n525.0 1.790E-19 1.0000\n530.0 1.530E-19 1.0000\n535.0 1.060E-19 1.0000\n540.0 1.080E-19 1.0000\n545.0 1.270E-19 1.0000\n550.0 1.100E-19 1.0000\n555.0 7.970E-20 1.0000\n560.0 6.050E-20 1.0000\n565.0 8.700E-20 1.0000\n570.0 8.480E-20 1.0000\n575.0 4.710E-20 1.0000\n580.0 4.470E-20 1.0000\n585.0 4.690E-20 1.0000\n590.0 5.390E-20 1.0000\n595.0 4.080E-20 1.0000\n600.0 3.950E-20 1.0000\n605.0 1.850E-20 1.0000\n610.0 2.540E-20 1.0000\n615.0 3.530E-20 1.0000\n620.0 2.570E-20 1.0000\n625.0 1.960E-20 1.0000\n630.0 1.210E-20 1.0000\n635.0 1.330E-20 1.0000\n640.0 1.530E-20 1.0000\n645.0 1.920E-20 1.0000\n650.0 1.350E-20 1.0000\n655.0 8.730E-21 1.0000\n660.0 5.660E-21 1.0000\n665.0 0.000E+00 1.0000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/NO2_06", "content": "NO2-06 \n! NO2 + HV = NO + O \n! From NASA (2006). \n! Absorption cross sections are averages for wavelength intervals given. \n! Data alligned to smallest wavelength intervals for abs. coefs and qy's. \n!\n!IUPAC 2005 for wavelength <242 to >205\n!Au and Brion J (1997), J Chem. Phys. 218, 109-126. for wavelength <205 \nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n155.0 1.250e-17 1.000\n165.3 1.160e-17 1.000\n177.1 6.800e-18 1.000\n190.8 1.800e-18 1.000\n205.0 3.381e-19 1.000\n210.0 4.451e-19 1.000\n215.0 4.887e-19 1.000\n220.0 4.672e-19 1.000\n225.0 3.904e-19 1.000\n230.0 2.765e-19 1.000\n235.0 1.653e-19 1.000\n240.0 8.300e-20 1.000\n242.0 5.770E-20 1.0000\n245.0 2.790E-20 1.0000\n248.0 1.620E-20 1.0000\n252.0 9.980E-21 1.0000\n255.0 1.050E-20 1.0000\n258.0 1.280E-20 1.0000\n261.0 1.580E-20 1.0000\n265.0 2.050E-20 1.0000\n268.0 2.640E-20 1.0000\n272.0 3.240E-20 1.0000\n276.0 4.070E-20 1.0000\n280.0 5.210E-20 1.0000\n284.0 6.230E-20 1.0000\n288.0 7.590E-20 1.0000\n292.0 9.510E-20 1.0000\n296.0 1.150E-19 1.0000\n301.0 1.320E-19 1.0000\n305.0 1.610E-19 1.0000\n310.0 1.880E-19 1.0000\n315.0 2.160E-19 1.0000\n320.0 2.530E-19 1.0000\n325.0 2.870E-19 1.0000\n330.0 3.170E-19 1.0000\n335.0 3.580E-19 1.0000\n340.0 4.020E-19 1.0000\n345.0 4.180E-19 1.0000\n350.0 4.620E-19 1.0000\n355.0 4.970E-19 1.0000\n360.0 5.090E-19 1.0000\n365.0 5.490E-19 1.0000\n370.0 5.610E-19 1.0000\n375.0 5.900E-19 1.0000\n380.0 5.930E-19 1.0000\n385.0 6.010E-19 1.0000\n390.0 6.300E-19 1.0000\n395.0 5.970E-19 1.0000\n398.0 6.252E-19 1.0000\n399.0 6.346E-19 0.9500\n400.0 6.440E-19 0.8800\n401.0 6.316E-19 0.7500\n402.0 6.192E-19 0.6200\n403.0 6.068E-19 0.5300\n404.0 5.944E-19 0.4400\n405.0 5.820E-19 0.3700\n406.0 5.904E-19 0.3000\n407.0 5.988E-19 0.2600\n408.0 6.072E-19 0.2200\n409.0 6.156E-19 0.1800\n410.0 6.240E-19 0.1500\n411.0 6.174E-19 0.1300\n412.0 6.108E-19 0.1100\n413.0 6.042E-19 0.0900\n414.0 5.976E-19 0.0800\n415.0 5.910E-19 0.0600\n416.0 5.926E-19 0.0500\n417.0 5.942E-19 0.0400\n418.0 5.958E-19 0.0300\n419.0 5.974E-19 0.0200\n420.0 5.990E-19 0.0200\n422.0 5.874E-19 0.0100\n424.0 5.758E-19 0.0000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/NO2_CBIV88", "content": "NO2_CBIV88\n! Nitrogen Dioxide Photolysis (NO2)\n! NO2 + hv -> NO + O \n! Taken from Gery et al. (1988); Absorption CS and QY from DeMore et al. (1985).\n! format: wl, abs_cs, qy\nCentered\n! With FAC, units are (cm^2/molecule)\nFAC=1.0E-20\n 280 5.54 0.984 \n 281 5.58 0.984 \n 282 5.36 0.984 \n 283 5.36 0.984 \n 284 6.25 0.984 \n 285 6.99 0.984 \n 286 7.29 0.984 \n 287 7.37 0.984 \n 288 7.66 0.984 \n 289 7.89 0.984 \n 290 8.18 0.984 \n 291 9.90 0.984 \n 292 9.37 0.984 \n 293 9.75 0.984 \n 294 9.48 0.984 \n 295 9.68 0.984 \n 296 9.30 0.983 \n 297 12.17 0.982 \n 298 11.72 0.982 \n 299 12.57 0.981 \n 300 11.72 0.980 \n 301 12.28 0.980 \n 302 13.87 0.978 \n 303 15.92 0.978 \n 304 15.96 0.977 \n 305 16.56 0.976 \n 306 15.81 0.975 \n 307 16.33 0.974 \n 308 16.18 0.973 \n 309 18.38 0.973 \n 310 17.56 0.972 \n 311 18.78 0.971 \n 312 19.61 0.970 \n 313 20.35 0.970 \n 314 19.42 0.969 \n 315 22.50 0.968 \n 316 21.31 0.967 \n 317 23.29 0.966 \n 318 24.81 0.966 \n 319 23.14 0.965 \n 320 25.37 0.964 \n 321 26.53 0.963 \n 322 26.49 0.962 \n 323 27.68 0.962 \n 324 26.75 0.961 \n 325 27.86 0.960 \n 326 28.79 0.959 \n 327 29.09 0.958 \n 328 30.77 0.958 \n 329 29.98 0.957 \n 330 29.87 0.956 \n 331 30.50 0.955 \n 332 30.05 0.954 \n 333 37.27 0.954 \n 334 29.80 0.953 \n 335 34.52 0.952 \n 336 35.08 0.951 \n 337 34.63 0.950 \n 338 34.78 0.950 \n 339 39.88 0.949 \n 340 38.80 0.948 \n 341 41.66 0.947 \n 342 38.32 0.946 \n 343 35.45 0.946 \n 344 40.21 0.945 \n 345 40.70 0.944 \n 346 42.93 0.943\n 347 42.78 0.942 \n 348 48.21 0.942 \n 349 46.12 0.941\n 350 40.99 0.940 \n 351 45.20 0.939 \n 352 44.38 0.938 \n 353 39.88 0.938 \n 354 50.40 0.937 \n 355 51.30 0.936 \n 356 46.05 0.935 \n 357 55.80 0.934 \n 358 50.37 0.934 \n 359 45.53 0.933 \n 360 45.13 0.932 \n 361 53.87 0.931 \n 362 50.40 0.930 \n 363 51.23 0.930 \n 364 48.74 0.929 \n 365 57.81 0.928 \n 366 53.98 0.912 \n 367 51.86 0.896 \n 368 53.42 0.881 \n 369 51.82 0.865 \n 370 54.20 0.849 \n 371 52.12 0.833 \n 372 59.81 0.817 \n 373 55.02 0.802 \n 374 52.12 0.786 \n 375 53.53 0.770 \n 376 62.35 0.780 \n 377 56.69 0.920 \n 378 51.74 0.820 \n 379 54.68 0.870 \n 380 59.86 0.900 \n 381 56.62 0.810 \n 382 56.36 0.700 \n 383 53.72 0.680 \n 384 59.67 0.700 \n 385 59.41 0.770 \n 386 53.20 0.840 \n 387 56.02 0.750 \n 388 59.78 0.810 \n 389 60.23 0.780 \n 390 60.01 0.800 \n 391 58.29 0.880 \n 392 60.49 0.840 \n 393 54.54 0.900 \n 394 55.42 0.900 \n 395 58.89 0.840 \n 396 61.45 0.830 \n 397 56.65 0.820 \n 398 64.06 0.770 \n 399 56.03 0.780 \n 400 67.59 0.680\n 401 65.25 0.650 \n 402 57.10 0.620 \n 403 51.04 0.570 \n 404 60.67 0.420 \n 405 63.17 0.320 \n 406 53.90 0.330 \n 407 47.28 0.250 \n 408 62.61 0.200 \n 409 59.00 0.190 \n 410 57.73 0.150 \n 411 58.78 0.100 \n 412 53.65 0.090 \n 413 70.04 0.080 \n 414 59.41 0.080 \n 415 60.41 0.070 \n 416 48.47 0.060 \n 417 53.12 0.050 \n 418 55.17 0.040 \n 419 52.79 0.030 \n 420 57.72 0.020\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/NO2_IUPAC10", "content": "NO2_IUPAC10\n! j(NO2) IUPAC(2010) \n! NO2 = NO + O \n! From IUPAC Subcommittee on Gas Kinetic Data Evaluation\n! Data Sheet PNOx4, updated 16th July 2001 \n! These are point values\n!Au and Brion J (1997), J Chem. Phys. 218, 109-126 wavelength <205 \nBegining (the mechanism evaluated with this format)\n!WL(nm) XSEC(cm2) QY\nFAC=1.0\n155.0 1.250e-17 1.000\n165.3 1.160e-17 1.000\n177.1 6.800e-18 1.000\n190.8 1.800e-18 1.000\n205.0 3.381e-19 1.000\n210.0 4.451e-19 1.000\n215.0 4.887e-19 1.000\n220.0 4.672e-19 1.000\n225.0 3.904e-19 1.000\n230.0 2.765e-19 1.000\n235.0 1.653e-19 1.000\n240.0 8.300e-20 1.000\n245.0 3.750e-20 1.000\n250.0 1.460e-20 1.000\n255.0 1.090e-20 1.000\n260.0 1.540e-20 1.000\n265.0 2.180e-20 1.000\n270.0 2.920e-20 1.000\n275.0 4.060e-20 1.000\n280.0 5.270E-20 1.000\n285.0 6.820E-20 1.000\n290.0 8.640E-20 1.000\n295.0 1.060E-19 1.000\n300.0 1.300E-19 1.000\n305.0 1.600E-19 1.000\n310.0 1.880E-19 1.000\n315.0 2.160E-19 1.000\n320.0 2.540E-19 1.000\n325.0 2.880E-19 1.000\n330.0 3.190E-19 1.000\n335.0 3.590E-19 1.000\n340.0 4.020E-19 1.000\n345.0 4.180E-19 1.000\n350.0 4.610E-19 1.000\n355.0 4.980E-19 1.000\n360.0 5.080E-19 1.000\n365.0 5.500E-19 1.000\n370.0 5.610E-19 1.000\n375.0 5.890E-19 1.000\n380.0 5.920E-19 1.000\n385.0 5.940E-19 1.000\n390.0 6.200E-19 1.000\n395.0 5.920E-19 1.000\n399.0 6.290E-19 0.950\n400.0 6.390E-19 0.880\n401.0 6.260E-19 0.750\n402.0 6.140E-19 0.620\n403.0 6.010E-19 0.530\n404.0 5.890E-19 0.440\n405.0 5.770E-19 0.370\n406.0 5.850E-19 0.300\n407.0 5.920E-19 0.260\n408.0 6.000E-19 0.220\n409.0 6.080E-19 0.180\n410.0 6.150E-19 0.150\n411.0 6.100E-19 0.130\n412.0 6.050E-19 0.110\n413.0 6.000E-19 0.090\n414.0 5.940E-19 0.080\n415.0 5.890E-19 0.060\n416.0 5.900E-19 0.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/NO2_NASA94", "content": "NO2_NASA94\n! Nitrogen Dioxide Photolysis (NO2)\n! NO2 + hv -> NO + O \n! Taken from the original RADM data, with NASA (1994) updates\n! format: wl, abs_cs, qy\nCentered\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n 186.100 2.592E-19 1.000E+00\n 187.800 2.718E-19 1.000E+00\n 189.600 2.855E-19 1.000E+00\n 191.400 2.726E-19 1.000E+00\n 193.200 2.507E-19 1.000E+00\n 195.100 2.443E-19 1.000E+00\n 197.000 2.461E-19 1.000E+00\n 199.000 2.459E-19 1.000E+00\n 201.000 2.824E-19 1.000E+00\n 203.100 4.145E-19 1.000E+00\n 205.100 4.478E-19 1.000E+00\n 207.300 4.454E-19 1.000E+00\n 209.400 4.641E-19 1.000E+00\n 211.600 4.866E-19 1.000E+00\n 213.900 4.818E-19 1.000E+00\n 216.200 5.021E-19 1.000E+00\n 218.600 4.441E-19 1.000E+00\n 221.000 4.712E-19 1.000E+00\n 223.500 3.772E-19 1.000E+00\n 226.000 3.928E-19 1.000E+00\n 228.600 2.740E-19 1.000E+00\n 231.200 2.778E-19 1.000E+00\n 233.900 1.690E-19 1.000E+00\n 236.700 1.617E-19 1.000E+00\n 239.500 8.810E-20 1.000E+00\n 242.400 7.470E-20 1.000E+00\n 245.400 3.907E-20 1.000E+00\n 248.500 2.753E-20 1.000E+00\n 251.600 2.007E-20 1.000E+00\n 254.800 1.973E-20 1.000E+00\n 258.100 2.111E-20 1.000E+00\n 261.400 2.357E-20 1.000E+00\n 264.900 2.698E-20 1.000E+00\n 268.500 3.247E-20 1.000E+00\n 272.100 3.786E-20 1.000E+00\n 275.900 5.049E-20 1.000E+00\n 279.700 5.900E-20 1.000E+00\n 283.700 6.988E-20 1.000E+00\n 287.800 8.141E-20 9.994E-01\n 292.000 9.712E-20 9.986E-01\n 296.300 1.150E-19 9.978E-01\n 300.500 1.336E-19 9.970E-01\n 303.000 1.451E-19 9.960E-01\n 304.000 1.580E-19 9.960E-01\n 305.000 1.580E-19 9.960E-01\n 306.000 1.580E-19 9.960E-01\n 307.000 1.580E-19 9.960E-01\n 308.000 1.802E-19 9.950E-01\n 309.000 1.854E-19 9.950E-01\n 310.000 1.854E-19 9.950E-01\n 311.000 1.854E-19 9.950E-01\n 312.000 1.854E-19 9.950E-01\n 313.000 2.136E-19 9.940E-01\n 314.000 2.136E-19 9.940E-01\n 316.000 2.136E-19 9.940E-01\n 320.000 2.457E-19 9.930E-01\n 325.000 2.779E-19 9.920E-01\n 330.000 3.099E-19 9.910E-01\n 335.000 3.393E-19 9.900E-01\n 340.000 3.758E-19 9.890E-01\n 345.000 4.018E-19 9.880E-01\n 350.000 4.283E-19 9.870E-01\n 355.000 4.669E-19 9.860E-01\n 360.000 4.806E-19 9.840E-01\n 365.000 5.133E-19 9.830E-01\n 370.000 5.287E-19 9.810E-01\n 375.000 5.488E-19 9.790E-01\n 380.000 5.622E-19 9.744E-01\n 385.000 5.733E-19 9.690E-01\n 390.000 5.904E-19 9.604E-01\n 395.000 5.827E-19 9.274E-01\n 400.000 6.006E-19 6.940E-01\n 405.000 5.767E-19 3.550E-01\n 410.000 5.971E-19 1.344E-01\n 415.000 5.651E-19 5.980E-02\n 420.000 5.782E-19 1.820E-02\n 425.000 0.000E+00 8.000E-04\n 430.000 0.000E+00 0.000E+00\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/NO2_RACM2", "content": "NO2_RACM2\n! NO2 + HV = O3P + NO\n! Absorption cross-section from NASA - 2006\n! Quantum yield from NASA - 2006\n! Supplied by Dr. Wendy Goliff, reformatted by Dr. Golam Sarwar to make it compatible with CMAQ\n! Au and Brion J (1997), J Chem. Phys. 218, 109-126 wavelength <205 \n! IUPAC 2005 for wavelength <242 to >205\nPoints \n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n155.0 1.250e-17 1.000\n165.3 1.160e-17 1.000\n177.1 6.800e-18 1.000\n190.8 1.800e-18 1.000\n205.0 3.381e-19 1.000\n210.0 4.451e-19 1.000\n215.0 4.887e-19 1.000\n220.0 4.672e-19 1.000\n225.0 3.904e-19 1.000\n230.0 2.765e-19 1.000\n235.0 1.653e-19 1.000\n242.5 0.577E-19 1.000\n245.4 0.279E-19 1.000\n248.5 0.162E-19 1.000\n251.6 0.998E-20 1.000\n254.8 0.105E-19 1.000\n258.2 0.128E-19 1.000\n261.5 0.158E-19 1.000\n265.0 0.205E-19 1.000\n268.5 0.264E-19 1.000\n272.2 0.324E-19 1.000\n275.9 0.407E-19 1.000\n279.8 0.521E-19 1.000\n283.7 0.623E-19 1.000\n287.8 0.759E-19 1.000\n292.0 0.951E-19 1.000\n296.3 0.115E-18 1.000\n300.5 0.132E-18 1.000\n303.0 0.132E-18 1.000\n304.0 0.161E-18 1.000\n305.0 0.161E-18 1.000\n306.0 0.161E-18 1.000\n307.0 0.161E-18 1.000\n308.0 0.188E-18 1.000\n309.0 0.188E-18 1.000\n310.0 0.188E-18 1.000\n311.0 0.188E-18 1.000\n312.0 0.188E-18 1.000\n313.0 0.216E-18 1.000\n314.0 0.216E-18 1.000\n316.0 0.216E-18 1.000\n320.0 0.253E-18 1.000\n325.0 0.287E-18 1.000\n330.0 0.317E-18 1.000\n335.0 0.358E-18 1.000\n340.0 0.402E-18 1.000\n345.0 0.418E-18 1.000\n350.0 0.462E-18 1.000\n355.0 0.497E-18 1.000\n360.0 0.509E-18 1.000\n365.0 0.549E-18 1.000\n370.0 0.561E-18 1.000\n375.0 0.590E-18 1.000\n380.0 0.593E-18 1.000\n385.0 0.601E-18 1.000\n390.0 0.630E-18 1.000\n395.0 0.597E-18 1.000\n400.0 0.644E-18 0.940\n405.0 0.582E-18 0.370\n410.0 0.624E-18 0.150\n415.0 0.591E-18 0.060\n420.0 0.599E-18 0.020\n425.0 0.570E-18 0.000\n430.0 0.544E-18 0.000\n435.0 0.559E-18 0.000\n440.0 0.488E-18 0.000\n445.0 0.488E-18 0.000\n450.0 0.498E-18 0.000\n455.0 0.416E-18 0.000\n460.0 0.436E-18 0.000\n465.0 0.414E-18 0.000\n470.0 0.337E-18 0.000\n475.0 0.387E-18 0.000\n480.0 0.337E-18 0.000\n485.0 0.254E-18 0.000\n490.0 0.308E-18 0.000\n495.0 0.294E-18 0.000\n500.0 0.182E-18 0.000\n505.0 0.243E-18 0.000\n510.0 0.231E-18 0.000\n515.0 0.160E-18 0.000\n520.0 0.161E-18 0.000\n525.0 0.179E-18 0.000\n530.0 0.153E-18 0.000\n535.0 0.106E-18 0.000\n540.0 0.108E-18 0.000\n545.0 0.127E-18 0.000\n550.0 0.110E-18 0.000\n555.0 0.797E-19 0.000\n560.0 0.605E-19 0.000\n565.0 0.870E-19 0.000\n570.0 0.848E-19 0.000\n575.0 0.471E-19 0.000\n580.0 0.447E-19 0.000\n585.0 0.469E-19 0.000\n590.0 0.539E-19 0.000\n595.0 0.408E-19 0.000\n600.0 0.395E-19 0.000\n605.0 0.185E-19 0.000\n610.0 0.254E-19 0.000\n615.0 0.353E-19 0.000\n620.0 0.257E-19 0.000\n625.0 0.196E-19 0.000\n630.0 0.121E-19 0.000\n635.0 0.133E-19 0.000\n640.0 0.153E-19 0.000\n644.8 0.192E-19 0.000\n651.0 0.135E-19 0.000\n660.0 0.566E-20 0.000\n670.0 0.000E+00 0.000\n680.0 0.000E+00 0.000\n690.0 0.000E+00 0.000\n700.0 0.000E+00 0.000\n710.0 0.000E+00 0.000\n720.0 0.000E+00 0.000\n730.0 0.000E+00 0.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/NO2_RADM88", "content": "NO2_RADM88\n! Nitrogen Dioxide Photolysis (NO2)\n! NO2 + hv -> NO + O \n! Abs. CS from Bass et al. [1976] and Davenport [1978];\n! QY from Gardner et al. [1987]\n! format: wl, abs_cs, qy\nBeginning\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n 185.185 2.592E-19 1.000E+00\n 186.916 2.718E-19 1.000E+00\n 188.679 2.855E-19 1.000E+00\n 190.476 2.726E-19 1.000E+00\n 192.308 2.507E-19 1.000E+00\n 194.175 2.443E-19 1.000E+00\n 196.078 2.461E-19 1.000E+00\n 198.020 2.459E-19 1.000E+00\n 200.000 2.824E-19 1.000E+00\n 202.020 2.918E-19 1.000E+00\n 204.082 3.534E-19 1.000E+00\n 206.186 3.741E-19 1.000E+00\n 208.333 4.103E-19 1.000E+00\n 210.526 4.359E-19 1.000E+00\n 212.766 4.450E-19 1.000E+00\n 215.054 4.595E-19 1.000E+00\n 217.391 4.169E-19 1.000E+00\n 219.780 4.538E-19 1.000E+00\n 222.222 3.702E-19 1.000E+00\n 224.719 3.889E-19 1.000E+00\n 227.273 2.693E-19 1.000E+00\n 229.885 2.757E-19 1.000E+00\n 232.558 1.707E-19 1.000E+00\n 235.294 1.617E-19 1.000E+00\n 238.095 7.847E-20 1.000E+00\n 240.964 6.118E-20 1.000E+00\n 243.902 2.883E-20 1.000E+00\n 246.914 2.134E-20 1.000E+00\n 250.000 1.404E-20 1.000E+00\n 253.165 1.492E-20 1.000E+00\n 256.410 1.595E-20 1.000E+00\n 259.740 1.795E-20 1.000E+00\n 263.158 2.184E-20 1.000E+00\n 266.667 2.717E-20 1.000E+00\n 270.270 3.270E-20 1.000E+00\n 273.973 4.100E-20 1.000E+00\n 277.778 5.258E-20 1.000E+00\n 281.690 6.265E-20 1.000E+00\n 285.714 7.620E-20 1.000E+00\n 289.855 9.395E-20 1.000E+00\n 294.118 1.092E-19 1.000E+00\n 298.500 1.262E-19 1.000E+00\n 302.500 1.508E-19 1.000E+00\n 303.500 1.559E-19 1.000E+00\n 304.500 1.552E-19 1.000E+00\n 305.500 1.533E-19 1.000E+00\n 306.500 1.612E-19 1.000E+00\n 307.500 1.655E-19 1.000E+00\n 308.500 1.813E-19 1.000E+00\n 309.500 1.826E-19 1.000E+00\n 310.500 1.910E-19 1.000E+00\n 311.500 2.029E-19 1.000E+00\n 312.500 2.007E-19 1.000E+00\n 313.500 1.993E-19 1.000E+00\n 314.500 2.200E-19 1.000E+00\n 317.500 2.501E-19 1.000E+00\n 322.500 2.807E-19 1.000E+00\n 327.500 3.042E-19 1.000E+00\n 332.500 3.404E-19 1.000E+00\n 337.500 3.843E-19 1.000E+00\n 342.500 4.045E-19 1.000E+00\n 347.500 4.465E-19 1.000E+00\n 352.500 4.877E-19 1.000E+00\n 357.500 4.936E-19 1.000E+00\n 362.500 5.287E-19 1.000E+00\n 367.500 5.401E-19 1.000E+00\n 372.500 5.633E-19 1.000E+00\n 377.500 5.609E-19 1.000E+00\n 382.500 5.716E-19 9.974E-01\n 387.500 6.003E-19 9.812E-01\n 392.500 5.686E-19 9.220E-01\n 397.500 6.176E-19 6.926E-01\n 402.500 5.492E-19 3.559E-01\n 407.500 5.981E-19 1.351E-01\n 412.500 5.772E-19 5.985E-02\n 417.500 0.000E+00 1.832E-02\n 422.500 0.000E+00 9.000E-04\n 427.500 0.000E+00 0.000E+00\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/NO2_SAPRC99", "content": "NO2\n! NO2 + HV = NO + O\n! SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\n! Created from PhotDat.xls on 29-Jan-2000 10:07\n! Au and Brion J (1997), J Chem. Phys. 218, 109-126 wavelength <205 \nPoints (the mechanism was evaluated assuming this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n155.0 1.250e-17 1.000\n165.3 1.160e-17 1.000\n177.1 6.800e-18 1.000\n190.8 1.800e-18 1.000\n205.0 4.310E-19 1.000\n210.0 4.720E-19 1.000\n215.0 4.950E-19 1.000\n220.0 4.560E-19 1.000\n225.0 3.790E-19 1.000\n230.0 2.740E-19 1.000\n235.0 1.670E-19 1.000\n240.0 9.310E-20 1.000\n245.0 4.740E-20 1.000\n250.0 2.480E-20 1.000\n255.0 1.950E-20 1.000\n260.0 2.240E-20 1.000\n265.0 2.730E-20 1.000\n270.0 4.110E-20 1.000\n275.0 4.900E-20 1.000\n280.0 5.920E-20 1.000\n285.0 7.390E-20 1.000\n290.0 9.000E-20 1.000\n295.0 1.090E-19 1.000\n300.0 1.310E-19 1.000\n305.0 1.570E-19 1.000\n310.0 1.860E-19 1.000\n315.0 2.150E-19 0.990\n320.0 2.480E-19 0.990\n325.0 2.810E-19 0.990\n330.0 3.130E-19 0.990\n335.0 3.430E-19 0.990\n340.0 3.800E-19 0.990\n345.0 4.070E-19 0.990\n350.0 4.310E-19 0.990\n355.0 4.720E-19 0.990\n360.0 4.830E-19 0.980\n365.0 5.170E-19 0.980\n370.0 5.320E-19 0.980\n375.0 5.510E-19 0.980\n380.0 5.640E-19 0.970\n385.0 5.760E-19 0.970\n390.0 5.930E-19 0.960\n395.0 5.850E-19 0.935\n400.0 6.020E-19 0.820\n405.0 5.780E-19 0.355\n410.0 6.000E-19 0.130\n411.0 5.930E-19 0.110\n412.0 5.860E-19 0.094\n413.0 5.790E-19 0.083\n414.0 5.720E-19 0.070\n415.0 5.650E-19 0.059\n416.0 5.680E-19 0.048\n417.0 5.710E-19 0.039\n418.0 5.750E-19 0.030\n419.0 5.780E-19 0.023\n420.0 5.810E-19 0.018\n421.0 5.720E-19 0.012\n422.0 5.640E-19 0.008\n423.0 5.550E-19 0.004\n424.0 5.470E-19 0.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/NO3NO-06", "content": "NO3NO-06 \n! NO3 + HV = NO + O2 \n! From NASA (2006), for 298 K. \n! Quantum yields for wavelengths above 640 nm estimated by linear extrapolation. \n! \nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n585.0 3.100E-18 0.0000\n586.0 3.550E-18 0.0150\n587.0 4.460E-18 0.0390\n588.0 5.400E-18 0.0970\n589.0 6.560E-18 0.1280\n590.0 6.380E-18 0.1900\n591.0 5.830E-18 0.2200\n592.0 5.480E-18 0.2490\n593.0 4.900E-18 0.3030\n594.0 4.490E-18 0.3280\n595.0 4.600E-18 0.3590\n596.0 4.950E-18 0.3570\n597.0 4.670E-18 0.3180\n598.0 3.930E-18 0.3230\n599.0 3.330E-18 0.3140\n600.0 2.960E-18 0.2910\n601.0 3.070E-18 0.2960\n602.0 3.550E-18 0.2910\n603.0 4.080E-18 0.2830\n604.0 4.680E-18 0.2800\n605.0 4.670E-18 0.2640\n606.0 3.550E-18 0.2710\n607.0 2.580E-18 0.2680\n608.0 1.980E-18 0.2500\n609.0 1.840E-18 0.2480\n610.0 1.890E-18 0.2360\n611.0 2.040E-18 0.2050\n612.0 2.390E-18 0.2000\n613.0 2.820E-18 0.1900\n614.0 2.730E-18 0.1660\n615.0 2.420E-18 0.1660\n616.0 2.240E-18 0.1600\n617.0 2.260E-18 0.1410\n618.0 2.560E-18 0.1430\n619.0 2.740E-18 0.1390\n620.0 3.500E-18 0.1310\n621.0 5.620E-18 0.1270\n622.0 1.090E-17 0.1220\n623.0 1.578E-17 0.1170\n624.0 1.291E-17 0.1060\n625.0 8.980E-18 0.0990\n626.0 7.830E-18 0.0920\n627.0 8.060E-18 0.0850\n628.0 7.890E-18 0.0740\n629.0 7.480E-18 0.0700\n630.0 7.240E-18 0.0650\n631.0 5.180E-18 0.0580\n632.0 3.500E-18 0.0510\n633.0 2.330E-18 0.0470\n634.0 1.760E-18 0.0430\n635.0 1.540E-18 0.0370\n636.0 1.810E-18 0.0320\n637.0 2.220E-18 0.0290\n638.0 2.170E-18 0.0270\n639.0 1.690E-18 0.0240\n640.0 1.320E-18 0.0200\n641.0 1.080E-18 0.0170\n642.0 9.900E-19 0.0140\n643.0 1.040E-18 0.0110\n644.0 1.020E-18 0.0080\n645.0 9.200E-19 0.0040\n646.0 8.000E-19 0.0010\n647.0 7.500E-19 0.0000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/NO3NO2-6", "content": "NO3NO2-6 \n! NO3 + HV = NO2 + O \n! From NASA (2006), for 298 K. \n! Quantum yields for wavelengths above 640 nm estimated by linear extrapolation. \n! \nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n403.0 2.000E-20 1.0000\n404.0 0.000E+00 1.0000\n405.0 3.000E-20 1.0000\n406.0 2.000E-20 1.0000\n407.0 1.000E-20 1.0000\n408.0 3.000E-20 1.0000\n409.0 0.000E+00 1.0000\n410.0 1.000E-20 1.0000\n411.0 2.000E-20 1.0000\n412.0 5.000E-20 1.0000\n413.0 5.000E-20 1.0000\n414.0 2.000E-20 1.0000\n415.0 6.000E-20 1.0000\n416.0 7.000E-20 1.0000\n417.0 8.000E-20 1.0000\n418.0 5.000E-20 1.0000\n419.0 9.000E-20 1.0000\n420.0 9.000E-20 1.0000\n421.0 9.000E-20 1.0000\n422.0 1.000E-19 1.0000\n423.0 1.200E-19 1.0000\n424.0 1.000E-19 1.0000\n425.0 8.000E-20 1.0000\n426.0 1.500E-19 1.0000\n427.0 1.500E-19 1.0000\n428.0 1.300E-19 1.0000\n429.0 1.200E-19 1.0000\n430.0 1.800E-19 1.0000\n431.0 1.400E-19 1.0000\n432.0 1.600E-19 1.0000\n433.0 1.900E-19 1.0000\n434.0 2.000E-19 1.0000\n435.0 1.700E-19 1.0000\n436.0 1.600E-19 1.0000\n437.0 2.000E-19 1.0000\n438.0 2.300E-19 1.0000\n439.0 2.200E-19 1.0000\n440.0 2.100E-19 1.0000\n441.0 2.000E-19 1.0000\n442.0 2.300E-19 1.0000\n443.0 1.900E-19 1.0000\n444.0 2.100E-19 1.0000\n445.0 2.200E-19 1.0000\n446.0 2.600E-19 1.0000\n447.0 3.100E-19 1.0000\n448.0 2.600E-19 1.0000\n449.0 3.000E-19 1.0000\n450.0 3.100E-19 1.0000\n451.0 3.300E-19 1.0000\n452.0 3.600E-19 1.0000\n453.0 3.400E-19 1.0000\n454.0 3.800E-19 1.0000\n455.0 3.800E-19 1.0000\n456.0 3.800E-19 1.0000\n457.0 4.200E-19 1.0000\n458.0 3.900E-19 1.0000\n459.0 4.500E-19 1.0000\n460.0 4.200E-19 1.0000\n461.0 4.100E-19 1.0000\n462.0 4.200E-19 1.0000\n463.0 4.300E-19 1.0000\n464.0 5.100E-19 1.0000\n465.0 5.400E-19 1.0000\n466.0 5.800E-19 1.0000\n467.0 6.100E-19 1.0000\n468.0 6.000E-19 1.0000\n469.0 6.200E-19 1.0000\n470.0 6.300E-19 1.0000\n471.0 6.600E-19 1.0000\n472.0 6.900E-19 1.0000\n473.0 6.600E-19 1.0000\n474.0 6.600E-19 1.0000\n475.0 7.300E-19 1.0000\n476.0 8.400E-19 1.0000\n477.0 8.300E-19 1.0000\n478.0 7.800E-19 1.0000\n479.0 7.800E-19 1.0000\n480.0 7.500E-19 1.0000\n481.0 7.600E-19 1.0000\n482.0 7.600E-19 1.0000\n483.0 7.700E-19 1.0000\n484.0 8.300E-19 1.0000\n485.0 8.800E-19 1.0000\n486.0 9.800E-19 1.0000\n487.0 9.900E-19 1.0000\n488.0 1.020E-18 1.0000\n489.0 1.030E-18 1.0000\n490.0 1.110E-18 1.0000\n491.0 1.060E-18 1.0000\n492.0 1.070E-18 1.0000\n493.0 1.090E-18 1.0000\n494.0 1.090E-18 1.0000\n495.0 1.130E-18 1.0000\n496.0 1.290E-18 1.0000\n497.0 1.300E-18 1.0000\n498.0 1.280E-18 1.0000\n499.0 1.250E-18 1.0000\n500.0 1.210E-18 1.0000\n501.0 1.180E-18 1.0000\n502.0 1.180E-18 1.0000\n503.0 1.190E-18 1.0000\n504.0 1.350E-18 1.0000\n505.0 1.370E-18 1.0000\n506.0 1.430E-18 1.0000\n507.0 1.370E-18 1.0000\n508.0 1.360E-18 1.0000\n509.0 1.450E-18 1.0000\n510.0 1.620E-18 1.0000\n511.0 1.860E-18 1.0000\n512.0 1.890E-18 1.0000\n513.0 1.720E-18 1.0000\n514.0 1.690E-18 1.0000\n515.0 1.700E-18 1.0000\n516.0 1.670E-18 1.0000\n517.0 1.600E-18 1.0000\n518.0 1.540E-18 1.0000\n519.0 1.650E-18 1.0000\n520.0 1.800E-18 1.0000\n521.0 1.960E-18 1.0000\n522.0 2.060E-18 1.0000\n523.0 1.890E-18 1.0000\n524.0 1.760E-18 1.0000\n525.0 1.690E-18 1.0000\n526.0 1.750E-18 1.0000\n527.0 1.930E-18 1.0000\n528.0 2.250E-18 1.0000\n529.0 2.570E-18 1.0000\n530.0 2.390E-18 1.0000\n531.0 2.240E-18 1.0000\n532.0 2.160E-18 1.0000\n533.0 2.090E-18 1.0000\n534.0 2.180E-18 1.0000\n535.0 2.470E-18 1.0000\n536.0 2.750E-18 1.0000\n537.0 2.760E-18 1.0000\n538.0 2.510E-18 1.0000\n539.0 2.190E-18 1.0000\n540.0 2.250E-18 1.0000\n541.0 2.190E-18 1.0000\n542.0 2.010E-18 1.0000\n543.0 1.800E-18 1.0000\n544.0 1.830E-18 1.0000\n545.0 2.100E-18 1.0000\n546.0 2.600E-18 1.0000\n547.0 3.120E-18 1.0000\n548.0 3.200E-18 1.0000\n549.0 2.900E-18 1.0000\n550.0 2.650E-18 1.0000\n551.0 2.610E-18 1.0000\n552.0 2.640E-18 1.0000\n553.0 2.710E-18 1.0000\n554.0 2.980E-18 1.0000\n555.0 3.340E-18 1.0000\n556.0 3.490E-18 1.0000\n557.0 3.520E-18 1.0000\n558.0 3.760E-18 1.0000\n559.0 3.990E-18 1.0000\n560.0 3.550E-18 1.0000\n561.0 3.200E-18 1.0000\n562.0 3.110E-18 1.0000\n563.0 3.000E-18 1.0000\n564.0 2.910E-18 1.0000\n565.0 2.920E-18 1.0000\n566.0 3.050E-18 1.0000\n567.0 3.010E-18 1.0000\n568.0 3.050E-18 1.0000\n569.0 3.100E-18 1.0000\n570.0 2.990E-18 1.0000\n571.0 2.960E-18 1.0000\n572.0 2.940E-18 1.0000\n573.0 2.980E-18 1.0000\n574.0 3.060E-18 1.0000\n575.0 3.300E-18 1.0000\n576.0 3.500E-18 1.0000\n577.0 3.620E-18 1.0000\n578.0 3.540E-18 1.0000\n579.0 3.470E-18 1.0000\n580.0 3.580E-18 1.0000\n581.0 3.800E-18 1.0000\n582.0 3.510E-18 1.0000\n583.0 3.140E-18 1.0000\n584.0 3.020E-18 1.0000\n585.0 3.100E-18 0.9830\n586.0 3.550E-18 0.9670\n587.0 4.460E-18 0.9430\n588.0 5.400E-18 0.8850\n589.0 6.560E-18 0.8540\n590.0 6.380E-18 0.7930\n591.0 5.830E-18 0.7630\n592.0 5.480E-18 0.7340\n593.0 4.900E-18 0.6800\n594.0 4.490E-18 0.6540\n595.0 4.600E-18 0.6080\n596.0 4.950E-18 0.5870\n597.0 4.670E-18 0.5670\n598.0 3.930E-18 0.5310\n599.0 3.330E-18 0.5090\n600.0 2.960E-18 0.4720\n601.0 3.070E-18 0.4380\n602.0 3.550E-18 0.4150\n603.0 4.080E-18 0.3710\n604.0 4.680E-18 0.3510\n605.0 4.670E-18 0.3230\n606.0 3.550E-18 0.2960\n607.0 2.580E-18 0.2800\n608.0 1.980E-18 0.2590\n609.0 1.840E-18 0.2380\n610.0 1.890E-18 0.2260\n611.0 2.040E-18 0.2100\n612.0 2.390E-18 0.1930\n613.0 2.820E-18 0.1810\n614.0 2.730E-18 0.1660\n615.0 2.420E-18 0.1470\n616.0 2.240E-18 0.1370\n617.0 2.260E-18 0.1240\n618.0 2.560E-18 0.1080\n619.0 2.740E-18 0.0990\n620.0 3.500E-18 0.0900\n621.0 5.620E-18 0.0770\n622.0 1.090E-17 0.0700\n623.0 1.578E-17 0.0640\n624.0 1.291E-17 0.0550\n625.0 8.980E-18 0.0490\n626.0 7.830E-18 0.0440\n627.0 8.060E-18 0.0390\n628.0 7.890E-18 0.0340\n629.0 7.480E-18 0.0290\n630.0 7.240E-18 0.0260\n631.0 5.180E-18 0.0240\n632.0 3.500E-18 0.0200\n633.0 2.330E-18 0.0180\n634.0 1.760E-18 0.0160\n635.0 1.540E-18 0.0150\n636.0 1.810E-18 0.0120\n637.0 2.220E-18 0.0110\n638.0 2.170E-18 0.0100\n639.0 1.690E-18 0.0090\n640.0 1.320E-18 0.0070\n641.0 1.080E-18 0.0060\n642.0 9.900E-19 0.0040\n643.0 1.040E-18 0.0030\n644.0 1.020E-18 0.0020\n645.0 9.200E-19 0.0000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/NO3NO2_06", "content": "NO3NO2_06 \n! NO3 + HV = NO2 + O \n! From NASA (2006), for 298 K. \n! Quantum yields for wavelengths above 640 nm estimated by linear extrapolation. \n! \nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n403.0 2.000E-20 1.0000\n404.0 0.000E+00 1.0000\n405.0 3.000E-20 1.0000\n406.0 2.000E-20 1.0000\n407.0 1.000E-20 1.0000\n408.0 3.000E-20 1.0000\n409.0 0.000E+00 1.0000\n410.0 1.000E-20 1.0000\n411.0 2.000E-20 1.0000\n412.0 5.000E-20 1.0000\n413.0 5.000E-20 1.0000\n414.0 2.000E-20 1.0000\n415.0 6.000E-20 1.0000\n416.0 7.000E-20 1.0000\n417.0 8.000E-20 1.0000\n418.0 5.000E-20 1.0000\n419.0 9.000E-20 1.0000\n420.0 9.000E-20 1.0000\n421.0 9.000E-20 1.0000\n422.0 1.000E-19 1.0000\n423.0 1.200E-19 1.0000\n424.0 1.000E-19 1.0000\n425.0 8.000E-20 1.0000\n426.0 1.500E-19 1.0000\n427.0 1.500E-19 1.0000\n428.0 1.300E-19 1.0000\n429.0 1.200E-19 1.0000\n430.0 1.800E-19 1.0000\n431.0 1.400E-19 1.0000\n432.0 1.600E-19 1.0000\n433.0 1.900E-19 1.0000\n434.0 2.000E-19 1.0000\n435.0 1.700E-19 1.0000\n436.0 1.600E-19 1.0000\n437.0 2.000E-19 1.0000\n438.0 2.300E-19 1.0000\n439.0 2.200E-19 1.0000\n440.0 2.100E-19 1.0000\n441.0 2.000E-19 1.0000\n442.0 2.300E-19 1.0000\n443.0 1.900E-19 1.0000\n444.0 2.100E-19 1.0000\n445.0 2.200E-19 1.0000\n446.0 2.600E-19 1.0000\n447.0 3.100E-19 1.0000\n448.0 2.600E-19 1.0000\n449.0 3.000E-19 1.0000\n450.0 3.100E-19 1.0000\n451.0 3.300E-19 1.0000\n452.0 3.600E-19 1.0000\n453.0 3.400E-19 1.0000\n454.0 3.800E-19 1.0000\n455.0 3.800E-19 1.0000\n456.0 3.800E-19 1.0000\n457.0 4.200E-19 1.0000\n458.0 3.900E-19 1.0000\n459.0 4.500E-19 1.0000\n460.0 4.200E-19 1.0000\n461.0 4.100E-19 1.0000\n462.0 4.200E-19 1.0000\n463.0 4.300E-19 1.0000\n464.0 5.100E-19 1.0000\n465.0 5.400E-19 1.0000\n466.0 5.800E-19 1.0000\n467.0 6.100E-19 1.0000\n468.0 6.000E-19 1.0000\n469.0 6.200E-19 1.0000\n470.0 6.300E-19 1.0000\n471.0 6.600E-19 1.0000\n472.0 6.900E-19 1.0000\n473.0 6.600E-19 1.0000\n474.0 6.600E-19 1.0000\n475.0 7.300E-19 1.0000\n476.0 8.400E-19 1.0000\n477.0 8.300E-19 1.0000\n478.0 7.800E-19 1.0000\n479.0 7.800E-19 1.0000\n480.0 7.500E-19 1.0000\n481.0 7.600E-19 1.0000\n482.0 7.600E-19 1.0000\n483.0 7.700E-19 1.0000\n484.0 8.300E-19 1.0000\n485.0 8.800E-19 1.0000\n486.0 9.800E-19 1.0000\n487.0 9.900E-19 1.0000\n488.0 1.020E-18 1.0000\n489.0 1.030E-18 1.0000\n490.0 1.110E-18 1.0000\n491.0 1.060E-18 1.0000\n492.0 1.070E-18 1.0000\n493.0 1.090E-18 1.0000\n494.0 1.090E-18 1.0000\n495.0 1.130E-18 1.0000\n496.0 1.290E-18 1.0000\n497.0 1.300E-18 1.0000\n498.0 1.280E-18 1.0000\n499.0 1.250E-18 1.0000\n500.0 1.210E-18 1.0000\n501.0 1.180E-18 1.0000\n502.0 1.180E-18 1.0000\n503.0 1.190E-18 1.0000\n504.0 1.350E-18 1.0000\n505.0 1.370E-18 1.0000\n506.0 1.430E-18 1.0000\n507.0 1.370E-18 1.0000\n508.0 1.360E-18 1.0000\n509.0 1.450E-18 1.0000\n510.0 1.620E-18 1.0000\n511.0 1.860E-18 1.0000\n512.0 1.890E-18 1.0000\n513.0 1.720E-18 1.0000\n514.0 1.690E-18 1.0000\n515.0 1.700E-18 1.0000\n516.0 1.670E-18 1.0000\n517.0 1.600E-18 1.0000\n518.0 1.540E-18 1.0000\n519.0 1.650E-18 1.0000\n520.0 1.800E-18 1.0000\n521.0 1.960E-18 1.0000\n522.0 2.060E-18 1.0000\n523.0 1.890E-18 1.0000\n524.0 1.760E-18 1.0000\n525.0 1.690E-18 1.0000\n526.0 1.750E-18 1.0000\n527.0 1.930E-18 1.0000\n528.0 2.250E-18 1.0000\n529.0 2.570E-18 1.0000\n530.0 2.390E-18 1.0000\n531.0 2.240E-18 1.0000\n532.0 2.160E-18 1.0000\n533.0 2.090E-18 1.0000\n534.0 2.180E-18 1.0000\n535.0 2.470E-18 1.0000\n536.0 2.750E-18 1.0000\n537.0 2.760E-18 1.0000\n538.0 2.510E-18 1.0000\n539.0 2.190E-18 1.0000\n540.0 2.250E-18 1.0000\n541.0 2.190E-18 1.0000\n542.0 2.010E-18 1.0000\n543.0 1.800E-18 1.0000\n544.0 1.830E-18 1.0000\n545.0 2.100E-18 1.0000\n546.0 2.600E-18 1.0000\n547.0 3.120E-18 1.0000\n548.0 3.200E-18 1.0000\n549.0 2.900E-18 1.0000\n550.0 2.650E-18 1.0000\n551.0 2.610E-18 1.0000\n552.0 2.640E-18 1.0000\n553.0 2.710E-18 1.0000\n554.0 2.980E-18 1.0000\n555.0 3.340E-18 1.0000\n556.0 3.490E-18 1.0000\n557.0 3.520E-18 1.0000\n558.0 3.760E-18 1.0000\n559.0 3.990E-18 1.0000\n560.0 3.550E-18 1.0000\n561.0 3.200E-18 1.0000\n562.0 3.110E-18 1.0000\n563.0 3.000E-18 1.0000\n564.0 2.910E-18 1.0000\n565.0 2.920E-18 1.0000\n566.0 3.050E-18 1.0000\n567.0 3.010E-18 1.0000\n568.0 3.050E-18 1.0000\n569.0 3.100E-18 1.0000\n570.0 2.990E-18 1.0000\n571.0 2.960E-18 1.0000\n572.0 2.940E-18 1.0000\n573.0 2.980E-18 1.0000\n574.0 3.060E-18 1.0000\n575.0 3.300E-18 1.0000\n576.0 3.500E-18 1.0000\n577.0 3.620E-18 1.0000\n578.0 3.540E-18 1.0000\n579.0 3.470E-18 1.0000\n580.0 3.580E-18 1.0000\n581.0 3.800E-18 1.0000\n582.0 3.510E-18 1.0000\n583.0 3.140E-18 1.0000\n584.0 3.020E-18 1.0000\n585.0 3.100E-18 0.9830\n586.0 3.550E-18 0.9670\n587.0 4.460E-18 0.9430\n588.0 5.400E-18 0.8850\n589.0 6.560E-18 0.8540\n590.0 6.380E-18 0.7930\n591.0 5.830E-18 0.7630\n592.0 5.480E-18 0.7340\n593.0 4.900E-18 0.6800\n594.0 4.490E-18 0.6540\n595.0 4.600E-18 0.6080\n596.0 4.950E-18 0.5870\n597.0 4.670E-18 0.5670\n598.0 3.930E-18 0.5310\n599.0 3.330E-18 0.5090\n600.0 2.960E-18 0.4720\n601.0 3.070E-18 0.4380\n602.0 3.550E-18 0.4150\n603.0 4.080E-18 0.3710\n604.0 4.680E-18 0.3510\n605.0 4.670E-18 0.3230\n606.0 3.550E-18 0.2960\n607.0 2.580E-18 0.2800\n608.0 1.980E-18 0.2590\n609.0 1.840E-18 0.2380\n610.0 1.890E-18 0.2260\n611.0 2.040E-18 0.2100\n612.0 2.390E-18 0.1930\n613.0 2.820E-18 0.1810\n614.0 2.730E-18 0.1660\n615.0 2.420E-18 0.1470\n616.0 2.240E-18 0.1370\n617.0 2.260E-18 0.1240\n618.0 2.560E-18 0.1080\n619.0 2.740E-18 0.0990\n620.0 3.500E-18 0.0900\n621.0 5.620E-18 0.0770\n622.0 1.090E-17 0.0700\n623.0 1.578E-17 0.0640\n624.0 1.291E-17 0.0550\n625.0 8.980E-18 0.0490\n626.0 7.830E-18 0.0440\n627.0 8.060E-18 0.0390\n628.0 7.890E-18 0.0340\n629.0 7.480E-18 0.0290\n630.0 7.240E-18 0.0260\n631.0 5.180E-18 0.0240\n632.0 3.500E-18 0.0200\n633.0 2.330E-18 0.0180\n634.0 1.760E-18 0.0160\n635.0 1.540E-18 0.0150\n636.0 1.810E-18 0.0120\n637.0 2.220E-18 0.0110\n638.0 2.170E-18 0.0100\n639.0 1.690E-18 0.0090\n640.0 1.320E-18 0.0070\n641.0 1.080E-18 0.0060\n642.0 9.900E-19 0.0040\n643.0 1.040E-18 0.0030\n644.0 1.020E-18 0.0020\n645.0 9.200E-19 0.0000\n646.0 8.000E-19 0.0000\n647.0 7.500E-19 0.0000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/NO3NO2_6", "content": "NO3NO2_6 \n! NO3 + HV = NO2 + O \n! From NASA (2006), for 298 K. \n! Quantum yields for wavelengths above 640 nm estimated by linear extrapolation. \n! \nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n403.0 2.000E-20 1.0000\n404.0 0.000E+00 1.0000\n405.0 3.000E-20 1.0000\n406.0 2.000E-20 1.0000\n407.0 1.000E-20 1.0000\n408.0 3.000E-20 1.0000\n409.0 0.000E+00 1.0000\n410.0 1.000E-20 1.0000\n411.0 2.000E-20 1.0000\n412.0 5.000E-20 1.0000\n413.0 5.000E-20 1.0000\n414.0 2.000E-20 1.0000\n415.0 6.000E-20 1.0000\n416.0 7.000E-20 1.0000\n417.0 8.000E-20 1.0000\n418.0 5.000E-20 1.0000\n419.0 9.000E-20 1.0000\n420.0 9.000E-20 1.0000\n421.0 9.000E-20 1.0000\n422.0 1.000E-19 1.0000\n423.0 1.200E-19 1.0000\n424.0 1.000E-19 1.0000\n425.0 8.000E-20 1.0000\n426.0 1.500E-19 1.0000\n427.0 1.500E-19 1.0000\n428.0 1.300E-19 1.0000\n429.0 1.200E-19 1.0000\n430.0 1.800E-19 1.0000\n431.0 1.400E-19 1.0000\n432.0 1.600E-19 1.0000\n433.0 1.900E-19 1.0000\n434.0 2.000E-19 1.0000\n435.0 1.700E-19 1.0000\n436.0 1.600E-19 1.0000\n437.0 2.000E-19 1.0000\n438.0 2.300E-19 1.0000\n439.0 2.200E-19 1.0000\n440.0 2.100E-19 1.0000\n441.0 2.000E-19 1.0000\n442.0 2.300E-19 1.0000\n443.0 1.900E-19 1.0000\n444.0 2.100E-19 1.0000\n445.0 2.200E-19 1.0000\n446.0 2.600E-19 1.0000\n447.0 3.100E-19 1.0000\n448.0 2.600E-19 1.0000\n449.0 3.000E-19 1.0000\n450.0 3.100E-19 1.0000\n451.0 3.300E-19 1.0000\n452.0 3.600E-19 1.0000\n453.0 3.400E-19 1.0000\n454.0 3.800E-19 1.0000\n455.0 3.800E-19 1.0000\n456.0 3.800E-19 1.0000\n457.0 4.200E-19 1.0000\n458.0 3.900E-19 1.0000\n459.0 4.500E-19 1.0000\n460.0 4.200E-19 1.0000\n461.0 4.100E-19 1.0000\n462.0 4.200E-19 1.0000\n463.0 4.300E-19 1.0000\n464.0 5.100E-19 1.0000\n465.0 5.400E-19 1.0000\n466.0 5.800E-19 1.0000\n467.0 6.100E-19 1.0000\n468.0 6.000E-19 1.0000\n469.0 6.200E-19 1.0000\n470.0 6.300E-19 1.0000\n471.0 6.600E-19 1.0000\n472.0 6.900E-19 1.0000\n473.0 6.600E-19 1.0000\n474.0 6.600E-19 1.0000\n475.0 7.300E-19 1.0000\n476.0 8.400E-19 1.0000\n477.0 8.300E-19 1.0000\n478.0 7.800E-19 1.0000\n479.0 7.800E-19 1.0000\n480.0 7.500E-19 1.0000\n481.0 7.600E-19 1.0000\n482.0 7.600E-19 1.0000\n483.0 7.700E-19 1.0000\n484.0 8.300E-19 1.0000\n485.0 8.800E-19 1.0000\n486.0 9.800E-19 1.0000\n487.0 9.900E-19 1.0000\n488.0 1.020E-18 1.0000\n489.0 1.030E-18 1.0000\n490.0 1.110E-18 1.0000\n491.0 1.060E-18 1.0000\n492.0 1.070E-18 1.0000\n493.0 1.090E-18 1.0000\n494.0 1.090E-18 1.0000\n495.0 1.130E-18 1.0000\n496.0 1.290E-18 1.0000\n497.0 1.300E-18 1.0000\n498.0 1.280E-18 1.0000\n499.0 1.250E-18 1.0000\n500.0 1.210E-18 1.0000\n501.0 1.180E-18 1.0000\n502.0 1.180E-18 1.0000\n503.0 1.190E-18 1.0000\n504.0 1.350E-18 1.0000\n505.0 1.370E-18 1.0000\n506.0 1.430E-18 1.0000\n507.0 1.370E-18 1.0000\n508.0 1.360E-18 1.0000\n509.0 1.450E-18 1.0000\n510.0 1.620E-18 1.0000\n511.0 1.860E-18 1.0000\n512.0 1.890E-18 1.0000\n513.0 1.720E-18 1.0000\n514.0 1.690E-18 1.0000\n515.0 1.700E-18 1.0000\n516.0 1.670E-18 1.0000\n517.0 1.600E-18 1.0000\n518.0 1.540E-18 1.0000\n519.0 1.650E-18 1.0000\n520.0 1.800E-18 1.0000\n521.0 1.960E-18 1.0000\n522.0 2.060E-18 1.0000\n523.0 1.890E-18 1.0000\n524.0 1.760E-18 1.0000\n525.0 1.690E-18 1.0000\n526.0 1.750E-18 1.0000\n527.0 1.930E-18 1.0000\n528.0 2.250E-18 1.0000\n529.0 2.570E-18 1.0000\n530.0 2.390E-18 1.0000\n531.0 2.240E-18 1.0000\n532.0 2.160E-18 1.0000\n533.0 2.090E-18 1.0000\n534.0 2.180E-18 1.0000\n535.0 2.470E-18 1.0000\n536.0 2.750E-18 1.0000\n537.0 2.760E-18 1.0000\n538.0 2.510E-18 1.0000\n539.0 2.190E-18 1.0000\n540.0 2.250E-18 1.0000\n541.0 2.190E-18 1.0000\n542.0 2.010E-18 1.0000\n543.0 1.800E-18 1.0000\n544.0 1.830E-18 1.0000\n545.0 2.100E-18 1.0000\n546.0 2.600E-18 1.0000\n547.0 3.120E-18 1.0000\n548.0 3.200E-18 1.0000\n549.0 2.900E-18 1.0000\n550.0 2.650E-18 1.0000\n551.0 2.610E-18 1.0000\n552.0 2.640E-18 1.0000\n553.0 2.710E-18 1.0000\n554.0 2.980E-18 1.0000\n555.0 3.340E-18 1.0000\n556.0 3.490E-18 1.0000\n557.0 3.520E-18 1.0000\n558.0 3.760E-18 1.0000\n559.0 3.990E-18 1.0000\n560.0 3.550E-18 1.0000\n561.0 3.200E-18 1.0000\n562.0 3.110E-18 1.0000\n563.0 3.000E-18 1.0000\n564.0 2.910E-18 1.0000\n565.0 2.920E-18 1.0000\n566.0 3.050E-18 1.0000\n567.0 3.010E-18 1.0000\n568.0 3.050E-18 1.0000\n569.0 3.100E-18 1.0000\n570.0 2.990E-18 1.0000\n571.0 2.960E-18 1.0000\n572.0 2.940E-18 1.0000\n573.0 2.980E-18 1.0000\n574.0 3.060E-18 1.0000\n575.0 3.300E-18 1.0000\n576.0 3.500E-18 1.0000\n577.0 3.620E-18 1.0000\n578.0 3.540E-18 1.0000\n579.0 3.470E-18 1.0000\n580.0 3.580E-18 1.0000\n581.0 3.800E-18 1.0000\n582.0 3.510E-18 1.0000\n583.0 3.140E-18 1.0000\n584.0 3.020E-18 1.0000\n585.0 3.100E-18 0.9830\n586.0 3.550E-18 0.9670\n587.0 4.460E-18 0.9430\n588.0 5.400E-18 0.8850\n589.0 6.560E-18 0.8540\n590.0 6.380E-18 0.7930\n591.0 5.830E-18 0.7630\n592.0 5.480E-18 0.7340\n593.0 4.900E-18 0.6800\n594.0 4.490E-18 0.6540\n595.0 4.600E-18 0.6080\n596.0 4.950E-18 0.5870\n597.0 4.670E-18 0.5670\n598.0 3.930E-18 0.5310\n599.0 3.330E-18 0.5090\n600.0 2.960E-18 0.4720\n601.0 3.070E-18 0.4380\n602.0 3.550E-18 0.4150\n603.0 4.080E-18 0.3710\n604.0 4.680E-18 0.3510\n605.0 4.670E-18 0.3230\n606.0 3.550E-18 0.2960\n607.0 2.580E-18 0.2800\n608.0 1.980E-18 0.2590\n609.0 1.840E-18 0.2380\n610.0 1.890E-18 0.2260\n611.0 2.040E-18 0.2100\n612.0 2.390E-18 0.1930\n613.0 2.820E-18 0.1810\n614.0 2.730E-18 0.1660\n615.0 2.420E-18 0.1470\n616.0 2.240E-18 0.1370\n617.0 2.260E-18 0.1240\n618.0 2.560E-18 0.1080\n619.0 2.740E-18 0.0990\n620.0 3.500E-18 0.0900\n621.0 5.620E-18 0.0770\n622.0 1.090E-17 0.0700\n623.0 1.578E-17 0.0640\n624.0 1.291E-17 0.0550\n625.0 8.980E-18 0.0490\n626.0 7.830E-18 0.0440\n627.0 8.060E-18 0.0390\n628.0 7.890E-18 0.0340\n629.0 7.480E-18 0.0290\n630.0 7.240E-18 0.0260\n631.0 5.180E-18 0.0240\n632.0 3.500E-18 0.0200\n633.0 2.330E-18 0.0180\n634.0 1.760E-18 0.0160\n635.0 1.540E-18 0.0150\n636.0 1.810E-18 0.0120\n637.0 2.220E-18 0.0110\n638.0 2.170E-18 0.0100\n639.0 1.690E-18 0.0090\n640.0 1.320E-18 0.0070\n641.0 1.080E-18 0.0060\n642.0 9.900E-19 0.0040\n643.0 1.040E-18 0.0030\n644.0 1.020E-18 0.0020\n645.0 9.200E-19 0.0000\n646.0 8.000E-19 0.0000\n647.0 7.500E-19 0.0000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/NO3NO2_NASA94", "content": "NO3NO2_NASA94\n! Nitrate Photolysis to NO2 (NO3NO2)\n! NO3 + hv -> NO2 + O(3P) \n! Taken from the original RADM data, with NASA (1994) updates\n! format: wl, abs_cs, qy\nCentered\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n 400.000 0.0000000E+00 1.0000000E+00\n 405.000 2.7999999E-20 1.0000000E+00\n 410.000 4.4500000E-20 1.0000000E+00\n 415.000 5.3500000E-20 1.0000000E+00\n 420.000 8.1999997E-20 1.0000000E+00\n 425.000 1.0450000E-19 1.0000000E+00\n 430.000 1.2930000E-19 1.0000000E+00\n 435.000 1.8380000E-19 1.0000000E+00\n 440.000 1.9370001E-19 1.0000000E+00\n 445.000 2.2300001E-19 1.0000000E+00\n 450.000 2.8350000E-19 1.0000000E+00\n 455.000 3.3450000E-19 1.0000000E+00\n 460.000 3.7200000E-19 1.0000000E+00\n 465.000 4.3379998E-19 1.0000000E+00\n 470.000 5.0979999E-19 1.0000000E+00\n 475.000 6.0320001E-19 1.0000000E+00\n 480.000 6.4400002E-19 1.0000000E+00\n 485.000 6.8649999E-19 1.0000000E+00\n 490.000 8.8000002E-19 1.0000000E+00\n 495.000 9.6699999E-19 1.0000000E+00\n 500.000 9.8999995E-19 1.0000000E+00\n 505.000 1.0950000E-18 1.0000000E+00\n 510.000 1.3200000E-18 1.0000000E+00\n 515.000 1.4040000E-18 1.0000000E+00\n 520.000 1.4470000E-18 1.0000000E+00\n 525.000 1.4920000E-18 1.0000000E+00\n 530.000 1.9310000E-18 1.0000000E+00\n 535.000 2.0390000E-18 1.0000000E+00\n 540.000 1.8319999E-18 1.0000000E+00\n 545.000 1.8189999E-18 1.0000000E+00\n 550.000 2.3530000E-18 1.0000000E+00\n 555.000 2.6830000E-18 1.0000000E+00\n 560.000 3.0650001E-18 1.0000000E+00\n 565.000 2.5370000E-18 1.0000000E+00\n 570.000 2.4940000E-18 1.0000000E+00\n 575.000 2.6080000E-18 1.0000000E+00\n 580.000 2.9080000E-18 1.0000000E+00\n 585.000 2.6570001E-18 9.6818185E-01\n 590.000 4.7400001E-18 8.0909091E-01\n 595.000 3.7399999E-18 6.4999998E-01\n 600.000 1.6460000E-18 5.7777774E-01\n 605.000 3.4520001E-18 5.0555557E-01\n 610.000 1.7760000E-18 4.3333328E-01\n 615.000 2.1440000E-18 3.6111110E-01\n 620.000 4.2400000E-18 2.8888887E-01\n 625.000 9.5200002E-18 2.1666664E-01\n 630.000 5.6519998E-18 1.4444444E-01\n 635.000 1.6280000E-18 7.2222218E-02\n 640.000 1.3320000E-18 0.0000000E+00\n 644.800 8.3350001E-19 0.0000000E+00\n 651.100 6.0519997E-19 0.0000000E+00\n 660.000 8.1220004E-18 0.0000000E+00\n 670.000 1.4540000E-18 0.0000000E+00\n 680.000 3.3649999E-19 0.0000000E+00\n 690.000 1.7499999E-20 0.0000000E+00\n 700.000 0.0000000E+00 0.0000000E+00\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/NO3NO2_RACM2", "content": "NO3NO2_RACM2\n! NO3 + HV = NO2 + O3P \n! Absorption x-section from NASA - 2006 \n! Quantum yields from NASA - 2006\n! Supplied by Dr. Wendy Goliff, reformatted by Dr. Golam Sarwar to make it compatible with CMAQ\nPoints \n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n186.1 0.000E+00 1.000\n187.8 0.000E+00 1.000\n189.6 0.000E+00 1.000\n191.4 0.000E+00 1.000\n193.3 0.000E+00 1.000\n195.2 0.000E+00 1.000\n197.1 0.000E+00 1.000\n199.0 0.000E+00 1.000\n201.0 0.000E+00 1.000\n203.1 0.000E+00 1.000\n205.2 0.000E+00 1.000\n207.3 0.000E+00 1.000\n209.4 0.000E+00 1.000\n211.7 0.000E+00 1.000\n213.9 0.000E+00 1.000\n216.2 0.000E+00 1.000\n218.6 0.000E+00 1.000\n221.0 0.000E+00 1.000\n223.5 0.000E+00 1.000\n226.0 0.000E+00 1.000\n228.6 0.000E+00 1.000\n231.3 0.000E+00 1.000\n234.0 0.000E+00 1.000\n236.7 0.000E+00 1.000\n239.6 0.000E+00 1.000\n242.5 0.000E+00 1.000\n245.4 0.000E+00 1.000\n248.5 0.000E+00 1.000\n251.6 0.000E+00 1.000\n254.8 0.000E+00 1.000\n258.2 0.000E+00 1.000\n261.5 0.000E+00 1.000\n265.0 0.000E+00 1.000\n268.5 0.000E+00 1.000\n272.2 0.000E+00 1.000\n275.9 0.000E+00 1.000\n279.8 0.000E+00 1.000\n283.7 0.000E+00 1.000\n287.8 0.000E+00 1.000\n292.0 0.000E+00 1.000\n296.3 0.000E+00 1.000\n300.5 0.000E+00 1.000\n303.0 0.000E+00 1.000\n304.0 0.000E+00 1.000\n305.0 0.000E+00 1.000\n306.0 0.000E+00 1.000\n307.0 0.000E+00 1.000\n308.0 0.000E+00 1.000\n309.0 0.000E+00 1.000\n310.0 0.000E+00 1.000\n311.0 0.000E+00 1.000\n312.0 0.000E+00 1.000\n313.0 0.000E+00 1.000\n314.0 0.000E+00 1.000\n316.0 0.000E+00 1.000\n320.0 0.000E+00 1.000\n325.0 0.000E+00 1.000\n330.0 0.000E+00 1.000\n335.0 0.000E+00 1.000\n340.0 0.000E+00 1.000\n345.0 0.000E+00 1.000\n350.0 0.000E+00 1.000\n355.0 0.000E+00 1.000\n360.0 0.000E+00 1.000\n365.0 0.000E+00 1.000\n370.0 0.000E+00 1.000\n375.0 0.000E+00 1.000\n380.0 0.000E+00 1.000\n385.0 0.000E+00 1.000\n390.0 0.000E+00 1.000\n395.0 0.000E+00 1.000\n400.0 0.000E+00 1.000\n405.0 0.200E-19 1.000\n410.0 0.100E-19 1.000\n415.0 0.600E-19 1.000\n420.0 0.900E-19 1.000\n425.0 0.800E-19 1.000\n430.0 0.180E-18 1.000\n435.0 0.170E-18 1.000\n440.0 0.210E-18 1.000\n445.0 0.220E-18 1.000\n450.0 0.310E-18 1.000\n455.0 0.380E-18 1.000\n460.0 0.420E-18 1.000\n465.0 0.540E-18 1.000\n470.0 0.630E-18 1.000\n475.0 0.730E-18 1.000\n480.0 0.750E-18 1.000\n485.0 0.880E-18 1.000\n490.0 0.111E-17 1.000\n495.0 0.113E-17 1.000\n500.0 0.121E-17 1.000\n505.0 0.137E-17 1.000\n510.0 0.162E-17 1.000\n515.0 0.170E-17 1.000\n520.0 0.180E-17 1.000\n525.0 0.169E-17 1.000\n530.0 0.239E-17 1.000\n535.0 0.247E-17 1.000\n540.0 0.225E-17 1.000\n545.0 0.210E-17 1.000\n550.0 0.265E-17 1.000\n555.0 0.334E-17 1.000\n560.0 0.320E-17 1.000\n565.0 0.292E-17 1.000\n570.0 0.299E-17 1.000\n575.0 0.330E-17 1.000\n580.0 0.358E-17 1.000\n585.0 0.310E-17 0.983\n590.0 0.638E-17 0.793\n595.0 0.460E-17 0.608\n600.0 0.296E-17 0.472\n605.0 0.467E-17 0.323\n610.0 0.189E-17 0.226\n615.0 0.242E-17 0.147\n620.0 0.350E-17 0.090\n625.0 0.898E-17 0.049\n630.0 0.724E-17 0.026\n635.0 0.154E-17 0.015\n640.0 0.132E-17 0.000\n644.8 0.940E-18 0.000\n651.0 0.590E-18 0.000\n660.0 0.798E-17 0.000\n670.0 0.102E-17 0.000\n680.0 0.740E-18 0.000\n690.0 0.110E-18 0.000\n700.0 0.000E+00 0.000\n710.0 0.000E+00 0.000\n720.0 0.000E+00 0.000\n730.0 0.000E+00 0.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/NO3NO2_RADM88", "content": "NO3NO2_RADM88\n! Nitrate Photolysis to NO2 (NO3NO2)\n! NO3 + hv -> NO2 + O(3P) \n! Abs CS: for wl<570 Graham and Johnston [1978];\n! for wl>570, average of Graham and Johnston [1978] and\n! Ravishankara and Wine [1983]\n! QY: Magnotta and Johnston [1980]; Graham and Johnston [1978];\n! scaled to yield unity\n! format: wl, abs_cs, qy\nBeginning\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n 402.500 2.7999999E-20 1.0000000E+00\n 407.500 4.4500000E-20 1.0000000E+00\n 412.500 5.3500000E-20 1.0000000E+00\n 417.500 8.1999997E-20 1.0000000E+00\n 422.500 1.0450000E-19 1.0000000E+00\n 427.500 1.2930000E-19 1.0000000E+00\n 432.500 1.8380000E-19 1.0000000E+00\n 437.500 1.9370001E-19 1.0000000E+00\n 442.500 2.2300001E-19 1.0000000E+00\n 447.500 2.8350000E-19 1.0000000E+00\n 452.500 3.3450000E-19 1.0000000E+00\n 457.500 3.7200000E-19 1.0000000E+00\n 462.500 4.3379998E-19 1.0000000E+00\n 467.500 5.0979999E-19 1.0000000E+00\n 472.500 6.0320001E-19 1.0000000E+00\n 477.500 6.4400002E-19 1.0000000E+00\n 482.500 6.8649999E-19 1.0000000E+00\n 487.500 8.8000002E-19 1.0000000E+00\n 492.500 9.6699999E-19 1.0000000E+00\n 497.500 9.8999995E-19 1.0000000E+00\n 502.500 1.0950000E-18 1.0000000E+00\n 507.500 1.3200000E-18 1.0000000E+00\n 512.500 1.4040000E-18 1.0000000E+00\n 517.500 1.4470000E-18 1.0000000E+00\n 522.500 1.4920000E-18 1.0000000E+00\n 527.500 1.9310000E-18 1.0000000E+00\n 532.500 2.0390000E-18 1.0000000E+00\n 537.500 1.8319999E-18 1.0000000E+00\n 542.500 1.8189999E-18 1.0000000E+00\n 547.500 2.3530000E-18 1.0000000E+00\n 552.500 2.6830000E-18 1.0000000E+00\n 557.500 3.0650001E-18 1.0000000E+00\n 562.500 2.5370000E-18 1.0000000E+00\n 567.500 2.4940000E-18 1.0000000E+00\n 572.500 2.6080000E-18 1.0000000E+00\n 577.500 2.9080000E-18 1.0000000E+00\n 582.500 2.6570001E-18 9.6818185E-01\n 587.500 4.7400001E-18 8.0909091E-01\n 592.500 3.7399999E-18 6.4999998E-01\n 597.500 2.6870001E-18 5.7777774E-01\n 602.500 3.0540000E-18 5.0555557E-01\n 607.500 1.5070000E-18 4.3333328E-01\n 612.500 1.8440000E-18 3.6111110E-01\n 617.500 4.6079999E-18 2.8888887E-01\n 622.500 8.1679999E-18 2.1666664E-01\n 627.500 4.8900002E-18 1.4444444E-01\n 632.500 1.4300000E-18 7.2222218E-02\n 637.500 1.0830000E-18 0.0000000E+00\n 642.500 6.7290000E-19 0.0000000E+00\n 647.100 5.0070002E-19 0.0000000E+00\n 655.000 7.3110003E-18 0.0000000E+00\n 665.000 1.3420000E-18 0.0000000E+00\n 675.000 3.3649999E-19 0.0000000E+00\n 685.000 1.7499999E-20 0.0000000E+00\n 695.000 0.0000000E+00 0.0000000E+00\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/NO3NO2_SAPRC99", "content": "NO3NO2\n! NO3 + HV = NO2 + O (T=298)\n! SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\n! Created from PhotDat.xls on 29-Jan-2000 10:07\nPoints (the mechanism was evaluated assuming this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n400.0 0.000E+00 1.000\n401.0 0.000E+00 1.000\n402.0 0.000E+00 1.000\n403.0 2.000E-20 1.000\n404.0 0.000E+00 1.000\n405.0 3.000E-20 1.000\n406.0 2.000E-20 1.000\n407.0 1.000E-20 1.000\n408.0 3.000E-20 1.000\n409.0 0.000E+00 1.000\n410.0 1.000E-20 1.000\n411.0 2.000E-20 1.000\n412.0 5.000E-20 1.000\n413.0 5.000E-20 1.000\n414.0 2.000E-20 1.000\n415.0 6.000E-20 1.000\n416.0 6.000E-20 1.000\n417.0 7.000E-20 1.000\n418.0 5.000E-20 1.000\n419.0 8.000E-20 1.000\n420.0 8.000E-20 1.000\n421.0 8.000E-20 1.000\n422.0 9.000E-20 1.000\n423.0 1.100E-19 1.000\n424.0 9.000E-20 1.000\n425.0 7.000E-20 1.000\n426.0 1.400E-19 1.000\n427.0 1.400E-19 1.000\n428.0 1.200E-19 1.000\n429.0 1.100E-19 1.000\n430.0 1.700E-19 1.000\n431.0 1.300E-19 1.000\n432.0 1.500E-19 1.000\n433.0 1.800E-19 1.000\n434.0 1.800E-19 1.000\n435.0 1.600E-19 1.000\n436.0 1.500E-19 1.000\n437.0 1.800E-19 1.000\n438.0 2.100E-19 1.000\n439.0 2.000E-19 1.000\n440.0 1.900E-19 1.000\n441.0 1.800E-19 1.000\n442.0 2.100E-19 1.000\n443.0 1.800E-19 1.000\n444.0 1.900E-19 1.000\n445.0 2.000E-19 1.000\n446.0 2.400E-19 1.000\n447.0 2.900E-19 1.000\n448.0 2.400E-19 1.000\n449.0 2.800E-19 1.000\n450.0 2.900E-19 1.000\n451.0 3.000E-19 1.000\n452.0 3.300E-19 1.000\n453.0 3.100E-19 1.000\n454.0 3.600E-19 1.000\n455.0 3.600E-19 1.000\n456.0 3.600E-19 1.000\n457.0 4.000E-19 1.000\n458.0 3.700E-19 1.000\n459.0 4.200E-19 1.000\n460.0 4.000E-19 1.000\n461.0 3.900E-19 1.000\n462.0 4.000E-19 1.000\n463.0 4.100E-19 1.000\n464.0 4.800E-19 1.000\n465.0 5.100E-19 1.000\n466.0 5.400E-19 1.000\n467.0 5.700E-19 1.000\n468.0 5.600E-19 1.000\n469.0 5.800E-19 1.000\n470.0 5.900E-19 1.000\n471.0 6.200E-19 1.000\n472.0 6.400E-19 1.000\n473.0 6.200E-19 1.000\n474.0 6.200E-19 1.000\n475.0 6.800E-19 1.000\n476.0 7.800E-19 1.000\n477.0 7.700E-19 1.000\n478.0 7.300E-19 1.000\n479.0 7.300E-19 1.000\n480.0 7.000E-19 1.000\n481.0 7.100E-19 1.000\n482.0 7.100E-19 1.000\n483.0 7.200E-19 1.000\n484.0 7.700E-19 1.000\n485.0 8.200E-19 1.000\n486.0 9.100E-19 1.000\n487.0 9.200E-19 1.000\n488.0 9.500E-19 1.000\n489.0 9.600E-19 1.000\n490.0 1.030E-18 1.000\n491.0 9.900E-19 1.000\n492.0 9.900E-19 1.000\n493.0 1.010E-18 1.000\n494.0 1.010E-18 1.000\n495.0 1.060E-18 1.000\n496.0 1.210E-18 1.000\n497.0 1.220E-18 1.000\n498.0 1.200E-18 1.000\n499.0 1.170E-18 1.000\n500.0 1.130E-18 1.000\n501.0 1.110E-18 1.000\n502.0 1.110E-18 1.000\n503.0 1.110E-18 1.000\n504.0 1.260E-18 1.000\n505.0 1.280E-18 1.000\n506.0 1.340E-18 1.000\n507.0 1.280E-18 1.000\n508.0 1.270E-18 1.000\n509.0 1.350E-18 1.000\n510.0 1.510E-18 1.000\n511.0 1.730E-18 1.000\n512.0 1.770E-18 1.000\n513.0 1.600E-18 1.000\n514.0 1.580E-18 1.000\n515.0 1.580E-18 1.000\n516.0 1.560E-18 1.000\n517.0 1.490E-18 1.000\n518.0 1.440E-18 1.000\n519.0 1.540E-18 1.000\n520.0 1.680E-18 1.000\n521.0 1.830E-18 1.000\n522.0 1.930E-18 1.000\n523.0 1.770E-18 1.000\n524.0 1.640E-18 1.000\n525.0 1.580E-18 1.000\n526.0 1.630E-18 1.000\n527.0 1.810E-18 1.000\n528.0 2.100E-18 1.000\n529.0 2.390E-18 1.000\n530.0 2.230E-18 1.000\n531.0 2.090E-18 1.000\n532.0 2.020E-18 1.000\n533.0 1.950E-18 1.000\n534.0 2.040E-18 1.000\n535.0 2.300E-18 1.000\n536.0 2.570E-18 1.000\n537.0 2.580E-18 1.000\n538.0 2.340E-18 1.000\n539.0 2.040E-18 1.000\n540.0 2.100E-18 1.000\n541.0 2.040E-18 1.000\n542.0 1.880E-18 1.000\n543.0 1.680E-18 1.000\n544.0 1.700E-18 1.000\n545.0 1.960E-18 1.000\n546.0 2.420E-18 1.000\n547.0 2.910E-18 1.000\n548.0 2.980E-18 1.000\n549.0 2.710E-18 1.000\n550.0 2.480E-18 1.000\n551.0 2.430E-18 1.000\n552.0 2.470E-18 1.000\n553.0 2.530E-18 1.000\n554.0 2.780E-18 1.000\n555.0 3.110E-18 1.000\n556.0 3.260E-18 1.000\n557.0 3.290E-18 1.000\n558.0 3.510E-18 1.000\n559.0 3.720E-18 1.000\n560.0 3.320E-18 1.000\n561.0 2.980E-18 1.000\n562.0 2.900E-18 1.000\n563.0 2.800E-18 1.000\n564.0 2.720E-18 1.000\n565.0 2.730E-18 1.000\n566.0 2.850E-18 1.000\n567.0 2.810E-18 1.000\n568.0 2.850E-18 1.000\n569.0 2.890E-18 1.000\n570.0 2.790E-18 1.000\n571.0 2.760E-18 1.000\n572.0 2.740E-18 1.000\n573.0 2.780E-18 1.000\n574.0 2.860E-18 1.000\n575.0 3.080E-18 1.000\n576.0 3.270E-18 1.000\n577.0 3.380E-18 1.000\n578.0 3.310E-18 1.000\n579.0 3.240E-18 1.000\n580.0 3.340E-18 1.000\n581.0 3.550E-18 1.000\n582.0 3.280E-18 1.000\n583.0 2.930E-18 1.000\n584.0 2.820E-18 1.000\n585.0 2.890E-18 1.000\n586.0 3.320E-18 0.950\n587.0 4.160E-18 0.900\n588.0 5.040E-18 0.850\n589.0 6.130E-18 0.800\n590.0 5.960E-18 0.750\n591.0 5.440E-18 0.720\n592.0 5.110E-18 0.690\n593.0 4.580E-18 0.660\n594.0 4.190E-18 0.630\n595.0 4.290E-18 0.600\n596.0 4.620E-18 0.590\n597.0 4.360E-18 0.580\n598.0 3.670E-18 0.570\n599.0 3.100E-18 0.560\n600.0 2.760E-18 0.550\n601.0 2.860E-18 0.540\n602.0 3.320E-18 0.530\n603.0 3.800E-18 0.520\n604.0 4.370E-18 0.510\n605.0 4.360E-18 0.400\n606.0 3.320E-18 0.380\n607.0 2.400E-18 0.360\n608.0 1.850E-18 0.340\n609.0 1.710E-18 0.320\n610.0 1.770E-18 0.300\n611.0 1.910E-18 0.290\n612.0 2.230E-18 0.280\n613.0 2.630E-18 0.270\n614.0 2.550E-18 0.260\n615.0 2.260E-18 0.250\n616.0 2.090E-18 0.240\n617.0 2.110E-18 0.230\n618.0 2.390E-18 0.220\n619.0 2.560E-18 0.210\n620.0 3.270E-18 0.200\n621.0 5.240E-18 0.190\n622.0 1.020E-17 0.180\n623.0 1.470E-17 0.170\n624.0 1.210E-17 0.160\n625.0 8.380E-18 0.150\n626.0 7.300E-18 0.130\n627.0 7.530E-18 0.110\n628.0 7.370E-18 0.090\n629.0 6.980E-18 0.070\n630.0 6.760E-18 0.050\n631.0 4.840E-18 0.040\n632.0 3.270E-18 0.030\n633.0 2.170E-18 0.020\n634.0 1.640E-18 0.010\n635.0 1.440E-18 0.000\n636.0 1.690E-18 0.000\n637.0 2.070E-18 0.000\n638.0 2.030E-18 0.000\n639.0 1.580E-18 0.000\n640.0 1.230E-18 0.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/NO3NO_06", "content": "NO3NO_06 \n! NO3 + HV = NO + O2 \n! From NASA (2006), for 298 K. \n! Quantum yields for wavelengths above 640 nm estimated by linear extrapolation. \n! \nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n403.0 2.000E-20 0.0000\n404.0 0.000E+00 0.0000\n405.0 3.000E-20 0.0000\n406.0 2.000E-20 0.0000\n407.0 1.000E-20 0.0000\n408.0 3.000E-20 0.0000\n409.0 0.000E+00 0.0000\n410.0 1.000E-20 0.0000\n411.0 2.000E-20 0.0000\n412.0 5.000E-20 0.0000\n413.0 5.000E-20 0.0000\n414.0 2.000E-20 0.0000\n415.0 6.000E-20 0.0000\n416.0 7.000E-20 0.0000\n417.0 8.000E-20 0.0000\n418.0 5.000E-20 0.0000\n419.0 9.000E-20 0.0000\n420.0 9.000E-20 0.0000\n421.0 9.000E-20 0.0000\n422.0 1.000E-19 0.0000\n423.0 1.200E-19 0.0000\n424.0 1.000E-19 0.0000\n425.0 8.000E-20 0.0000\n426.0 1.500E-19 0.0000\n427.0 1.500E-19 0.0000\n428.0 1.300E-19 0.0000\n429.0 1.200E-19 0.0000\n430.0 1.800E-19 0.0000\n431.0 1.400E-19 0.0000\n432.0 1.600E-19 0.0000\n433.0 1.900E-19 0.0000\n434.0 2.000E-19 0.0000\n435.0 1.700E-19 0.0000\n436.0 1.600E-19 0.0000\n437.0 2.000E-19 0.0000\n438.0 2.300E-19 0.0000\n439.0 2.200E-19 0.0000\n440.0 2.100E-19 0.0000\n441.0 2.000E-19 0.0000\n442.0 2.300E-19 0.0000\n443.0 1.900E-19 0.0000\n444.0 2.100E-19 0.0000\n445.0 2.200E-19 0.0000\n446.0 2.600E-19 0.0000\n447.0 3.100E-19 0.0000\n448.0 2.600E-19 0.0000\n449.0 3.000E-19 0.0000\n450.0 3.100E-19 0.0000\n451.0 3.300E-19 0.0000\n452.0 3.600E-19 0.0000\n453.0 3.400E-19 0.0000\n454.0 3.800E-19 0.0000\n455.0 3.800E-19 0.0000\n456.0 3.800E-19 0.0000\n457.0 4.200E-19 0.0000\n458.0 3.900E-19 0.0000\n459.0 4.500E-19 0.0000\n460.0 4.200E-19 0.0000\n461.0 4.100E-19 0.0000\n462.0 4.200E-19 0.0000\n463.0 4.300E-19 0.0000\n464.0 5.100E-19 0.0000\n465.0 5.400E-19 0.0000\n466.0 5.800E-19 0.0000\n467.0 6.100E-19 0.0000\n468.0 6.000E-19 0.0000\n469.0 6.200E-19 0.0000\n470.0 6.300E-19 0.0000\n471.0 6.600E-19 0.0000\n472.0 6.900E-19 0.0000\n473.0 6.600E-19 0.0000\n474.0 6.600E-19 0.0000\n475.0 7.300E-19 0.0000\n476.0 8.400E-19 0.0000\n477.0 8.300E-19 0.0000\n478.0 7.800E-19 0.0000\n479.0 7.800E-19 0.0000\n480.0 7.500E-19 0.0000\n481.0 7.600E-19 0.0000\n482.0 7.600E-19 0.0000\n483.0 7.700E-19 0.0000\n484.0 8.300E-19 0.0000\n485.0 8.800E-19 0.0000\n486.0 9.800E-19 0.0000\n487.0 9.900E-19 0.0000\n488.0 1.020E-18 0.0000\n489.0 1.030E-18 0.0000\n490.0 1.110E-18 0.0000\n491.0 1.060E-18 0.0000\n492.0 1.070E-18 0.0000\n493.0 1.090E-18 0.0000\n494.0 1.090E-18 0.0000\n495.0 1.130E-18 0.0000\n496.0 1.290E-18 0.0000\n497.0 1.300E-18 0.0000\n498.0 1.280E-18 0.0000\n499.0 1.250E-18 0.0000\n500.0 1.210E-18 0.0000\n501.0 1.180E-18 0.0000\n502.0 1.180E-18 0.0000\n503.0 1.190E-18 0.0000\n504.0 1.350E-18 0.0000\n505.0 1.370E-18 0.0000\n506.0 1.430E-18 0.0000\n507.0 1.370E-18 0.0000\n508.0 1.360E-18 0.0000\n509.0 1.450E-18 0.0000\n510.0 1.620E-18 0.0000\n511.0 1.860E-18 0.0000\n512.0 1.890E-18 0.0000\n513.0 1.720E-18 0.0000\n514.0 1.690E-18 0.0000\n515.0 1.700E-18 0.0000\n516.0 1.670E-18 0.0000\n517.0 1.600E-18 0.0000\n518.0 1.540E-18 0.0000\n519.0 1.650E-18 0.0000\n520.0 1.800E-18 0.0000\n521.0 1.960E-18 0.0000\n522.0 2.060E-18 0.0000\n523.0 1.890E-18 0.0000\n524.0 1.760E-18 0.0000\n525.0 1.690E-18 0.0000\n526.0 1.750E-18 0.0000\n527.0 1.930E-18 0.0000\n528.0 2.250E-18 0.0000\n529.0 2.570E-18 0.0000\n530.0 2.390E-18 0.0000\n531.0 2.240E-18 0.0000\n532.0 2.160E-18 0.0000\n533.0 2.090E-18 0.0000\n534.0 2.180E-18 0.0000\n535.0 2.470E-18 0.0000\n536.0 2.750E-18 0.0000\n537.0 2.760E-18 0.0000\n538.0 2.510E-18 0.0000\n539.0 2.190E-18 0.0000\n540.0 2.250E-18 0.0000\n541.0 2.190E-18 0.0000\n542.0 2.010E-18 0.0000\n543.0 1.800E-18 0.0000\n544.0 1.830E-18 0.0000\n545.0 2.100E-18 0.0000\n546.0 2.600E-18 0.0000\n547.0 3.120E-18 0.0000\n548.0 3.200E-18 0.0000\n549.0 2.900E-18 0.0000\n550.0 2.650E-18 0.0000\n551.0 2.610E-18 0.0000\n552.0 2.640E-18 0.0000\n553.0 2.710E-18 0.0000\n554.0 2.980E-18 0.0000\n555.0 3.340E-18 0.0000\n556.0 3.490E-18 0.0000\n557.0 3.520E-18 0.0000\n558.0 3.760E-18 0.0000\n559.0 3.990E-18 0.0000\n560.0 3.550E-18 0.0000\n561.0 3.200E-18 0.0000\n562.0 3.110E-18 0.0000\n563.0 3.000E-18 0.0000\n564.0 2.910E-18 0.0000\n565.0 2.920E-18 0.0000\n566.0 3.050E-18 0.0000\n567.0 3.010E-18 0.0000\n568.0 3.050E-18 0.0000\n569.0 3.100E-18 0.0000\n570.0 2.990E-18 0.0000\n571.0 2.960E-18 0.0000\n572.0 2.940E-18 0.0000\n573.0 2.980E-18 0.0000\n574.0 3.060E-18 0.0000\n575.0 3.300E-18 0.0000\n576.0 3.500E-18 0.0000\n577.0 3.620E-18 0.0000\n578.0 3.540E-18 0.0000\n579.0 3.470E-18 0.0000\n580.0 3.580E-18 0.0000\n581.0 3.800E-18 0.0000\n582.0 3.510E-18 0.0000\n583.0 3.140E-18 0.0000\n584.0 3.020E-18 0.0000\n585.0 3.100E-18 0.0000\n586.0 3.550E-18 0.0150\n587.0 4.460E-18 0.0390\n588.0 5.400E-18 0.0970\n589.0 6.560E-18 0.1280\n590.0 6.380E-18 0.1900\n591.0 5.830E-18 0.2200\n592.0 5.480E-18 0.2490\n593.0 4.900E-18 0.3030\n594.0 4.490E-18 0.3280\n595.0 4.600E-18 0.3590\n596.0 4.950E-18 0.3570\n597.0 4.670E-18 0.3180\n598.0 3.930E-18 0.3230\n599.0 3.330E-18 0.3140\n600.0 2.960E-18 0.2910\n601.0 3.070E-18 0.2960\n602.0 3.550E-18 0.2910\n603.0 4.080E-18 0.2830\n604.0 4.680E-18 0.2800\n605.0 4.670E-18 0.2640\n606.0 3.550E-18 0.2710\n607.0 2.580E-18 0.2680\n608.0 1.980E-18 0.2500\n609.0 1.840E-18 0.2480\n610.0 1.890E-18 0.2360\n611.0 2.040E-18 0.2050\n612.0 2.390E-18 0.2000\n613.0 2.820E-18 0.1900\n614.0 2.730E-18 0.1660\n615.0 2.420E-18 0.1660\n616.0 2.240E-18 0.1600\n617.0 2.260E-18 0.1410\n618.0 2.560E-18 0.1430\n619.0 2.740E-18 0.1390\n620.0 3.500E-18 0.1310\n621.0 5.620E-18 0.1270\n622.0 1.090E-17 0.1220\n623.0 1.578E-17 0.1170\n624.0 1.291E-17 0.1060\n625.0 8.980E-18 0.0990\n626.0 7.830E-18 0.0920\n627.0 8.060E-18 0.0850\n628.0 7.890E-18 0.0740\n629.0 7.480E-18 0.0700\n630.0 7.240E-18 0.0650\n631.0 5.180E-18 0.0580\n632.0 3.500E-18 0.0510\n633.0 2.330E-18 0.0470\n634.0 1.760E-18 0.0430\n635.0 1.540E-18 0.0370\n636.0 1.810E-18 0.0320\n637.0 2.220E-18 0.0290\n638.0 2.170E-18 0.0270\n639.0 1.690E-18 0.0240\n640.0 1.320E-18 0.0200\n641.0 1.080E-18 0.0170\n642.0 9.900E-19 0.0140\n643.0 1.040E-18 0.0110\n644.0 1.020E-18 0.0080\n645.0 9.200E-19 0.0040\n646.0 8.000E-19 0.0010\n647.0 7.500E-19 0.0000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/NO3NO_NASA94", "content": "NO3NO_NASA94\n! Nitrate Photolysis to NO (NO3NO)\n! NO3 + hv -> NO + O2 \n! Taken from the original RADM data, with NASA (1994) updates\n! format: wl, abs_cs, qy\nCentered\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n 400.000 0.0000000E+00 0.0000000E+00\n 405.000 2.7999999E-20 0.0000000E+00\n 410.000 4.4500000E-20 0.0000000E+00\n 415.000 5.3500000E-20 0.0000000E+00\n 420.000 8.1999997E-20 0.0000000E+00\n 425.000 1.0450000E-19 0.0000000E+00\n 430.000 1.2930000E-19 0.0000000E+00\n 435.000 1.8380000E-19 0.0000000E+00\n 440.000 1.9370001E-19 0.0000000E+00\n 445.000 2.2300001E-19 0.0000000E+00\n 450.000 2.8350000E-19 0.0000000E+00\n 455.000 3.3450000E-19 0.0000000E+00\n 460.000 3.7200000E-19 0.0000000E+00\n 465.000 4.3379998E-19 0.0000000E+00\n 470.000 5.0979999E-19 0.0000000E+00\n 475.000 6.0320001E-19 0.0000000E+00\n 480.000 6.4400002E-19 0.0000000E+00\n 485.000 6.8649999E-19 0.0000000E+00\n 490.000 8.8000002E-19 0.0000000E+00\n 495.000 9.6699999E-19 0.0000000E+00\n 500.000 9.8999995E-19 0.0000000E+00\n 505.000 1.0950000E-18 0.0000000E+00\n 510.000 1.3200000E-18 0.0000000E+00\n 515.000 1.4040000E-18 0.0000000E+00\n 520.000 1.4470000E-18 0.0000000E+00\n 525.000 1.4920000E-18 0.0000000E+00\n 530.000 1.9310000E-18 0.0000000E+00\n 535.000 2.0390000E-18 0.0000000E+00\n 540.000 1.8319999E-18 0.0000000E+00\n 545.000 1.8189999E-18 0.0000000E+00\n 550.000 2.3530000E-18 0.0000000E+00\n 555.000 2.6830000E-18 0.0000000E+00\n 560.000 3.0650001E-18 0.0000000E+00\n 565.000 2.5370000E-18 0.0000000E+00\n 570.000 2.4940000E-18 0.0000000E+00\n 575.000 2.6080000E-18 0.0000000E+00\n 580.000 2.9080000E-18 0.0000000E+00\n 585.000 2.6570001E-18 3.1818181E-02\n 590.000 4.7400001E-18 1.9090909E-01\n 595.000 3.7399999E-18 3.4999999E-01\n 600.000 1.6460000E-18 3.1111112E-01\n 605.000 3.4520001E-18 2.7222222E-01\n 610.000 1.7760000E-18 2.3333332E-01\n 615.000 2.1440000E-18 1.9444445E-01\n 620.000 4.2400000E-18 1.5555555E-01\n 625.000 9.5200002E-18 1.1666666E-01\n 630.000 5.6519998E-18 7.7777773E-02\n 635.000 1.6280000E-18 3.8888887E-02\n 640.000 1.3320000E-18 0.0000000E+00\n 644.800 8.3350001E-19 0.0000000E+00\n 651.100 6.0519997E-19 0.0000000E+00\n 660.000 8.1220004E-18 0.0000000E+00\n 670.000 1.4540000E-18 0.0000000E+00\n 680.000 3.3649999E-19 0.0000000E+00\n 690.000 1.7499999E-20 0.0000000E+00\n 700.000 0.0000000E+00 0.0000000E+00\n\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/NO3NO_RACM2", "content": "NO3NO_RACM2\n! NO3 + HV = NO + O2 \n! Absorption x-section from NASA - 2006 \n! Quantum yields from NASA - 2006\n! Supplied by Dr. Wendy Goliff, reformatted by Dr. Golam Sarwar to make it compatible with CMAQ\nPoints \n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n186.1 0.000E+00 0.000\n187.8 0.000E+00 0.000\n189.6 0.000E+00 0.000\n191.4 0.000E+00 0.000\n193.3 0.000E+00 0.000\n195.2 0.000E+00 0.000\n197.1 0.000E+00 0.000\n199.0 0.000E+00 0.000\n201.0 0.000E+00 0.000\n203.1 0.000E+00 0.000\n205.2 0.000E+00 0.000\n207.3 0.000E+00 0.000\n209.4 0.000E+00 0.000\n211.7 0.000E+00 0.000\n213.9 0.000E+00 0.000\n216.2 0.000E+00 0.000\n218.6 0.000E+00 0.000\n221.0 0.000E+00 0.000\n223.5 0.000E+00 0.000\n226.0 0.000E+00 0.000\n228.6 0.000E+00 0.000\n231.3 0.000E+00 0.000\n234.0 0.000E+00 0.000\n236.7 0.000E+00 0.000\n239.6 0.000E+00 0.000\n242.5 0.000E+00 0.000\n245.4 0.000E+00 0.000\n248.5 0.000E+00 0.000\n251.6 0.000E+00 0.000\n254.8 0.000E+00 0.000\n258.2 0.000E+00 0.000\n261.5 0.000E+00 0.000\n265.0 0.000E+00 0.000\n268.5 0.000E+00 0.000\n272.2 0.000E+00 0.000\n275.9 0.000E+00 0.000\n279.8 0.000E+00 0.000\n283.7 0.000E+00 0.000\n287.8 0.000E+00 0.000\n292.0 0.000E+00 0.000\n296.3 0.000E+00 0.000\n300.5 0.000E+00 0.000\n303.0 0.000E+00 0.000\n304.0 0.000E+00 0.000\n305.0 0.000E+00 0.000\n306.0 0.000E+00 0.000\n307.0 0.000E+00 0.000\n308.0 0.000E+00 0.000\n309.0 0.000E+00 0.000\n310.0 0.000E+00 0.000\n311.0 0.000E+00 0.000\n312.0 0.000E+00 0.000\n313.0 0.000E+00 0.000\n314.0 0.000E+00 0.000\n316.0 0.000E+00 0.000\n320.0 0.000E+00 0.000\n325.0 0.000E+00 0.000\n330.0 0.000E+00 0.000\n335.0 0.000E+00 0.000\n340.0 0.000E+00 0.000\n345.0 0.000E+00 0.000\n350.0 0.000E+00 0.000\n355.0 0.000E+00 0.000\n360.0 0.000E+00 0.000\n365.0 0.000E+00 0.000\n370.0 0.000E+00 0.000\n375.0 0.000E+00 0.000\n380.0 0.000E+00 0.000\n385.0 0.000E+00 0.000\n390.0 0.000E+00 0.000\n395.0 0.000E+00 0.000\n400.0 0.000E+00 0.000\n405.0 0.200E-19 0.000\n410.0 0.100E-19 0.000\n415.0 0.600E-19 0.000\n420.0 0.900E-19 0.000\n425.0 0.800E-19 0.000\n430.0 0.180E-18 0.000\n435.0 0.170E-18 0.000\n440.0 0.210E-18 0.000\n445.0 0.220E-18 0.000\n450.0 0.310E-18 0.000\n455.0 0.380E-18 0.000\n460.0 0.420E-18 0.000\n465.0 0.540E-18 0.000\n470.0 0.630E-18 0.000\n475.0 0.730E-18 0.000\n480.0 0.750E-18 0.000\n485.0 0.880E-18 0.000\n490.0 0.111E-17 0.000\n495.0 0.113E-17 0.000\n500.0 0.121E-17 0.000\n505.0 0.137E-17 0.000\n510.0 0.162E-17 0.000\n515.0 0.170E-17 0.000\n520.0 0.180E-17 0.000\n525.0 0.169E-17 0.000\n530.0 0.239E-17 0.000\n535.0 0.247E-17 0.000\n540.0 0.225E-17 0.000\n545.0 0.210E-17 0.000\n550.0 0.265E-17 0.000\n555.0 0.334E-17 0.000\n560.0 0.320E-17 0.000\n565.0 0.292E-17 0.000\n570.0 0.299E-17 0.000\n575.0 0.330E-17 0.000\n580.0 0.358E-17 0.000\n585.0 0.310E-17 0.000\n590.0 0.638E-17 0.190\n595.0 0.460E-17 0.359\n600.0 0.296E-17 0.291\n605.0 0.467E-17 0.264\n610.0 0.189E-17 0.236\n615.0 0.242E-17 0.166\n620.0 0.350E-17 0.131\n625.0 0.898E-17 0.098\n630.0 0.724E-17 0.065\n635.0 0.154E-17 0.037\n640.0 0.132E-17 0.020\n644.8 0.940E-18 0.000\n651.0 0.590E-18 0.000\n660.0 0.798E-17 0.000\n670.0 0.102E-17 0.000\n680.0 0.740E-18 0.000\n690.0 0.110E-18 0.000\n700.0 0.000E+00 0.000\n710.0 0.000E+00 0.000\n720.0 0.000E+00 0.000\n730.0 0.000E+00 0.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/NO3NO_RADM88", "content": "NO3NO_RADM88\n! Nitrate Photolysis to NO (NO3NO)\n! NO3 + hv -> NO + O2 \n! abs CS: for wl<570 Graham and Johnston [1978];\n! for wl>570 average Graham and Johnston [1978] and Ravishankara and\n! Wine [1983]\n! QY: Magnotta and Johnston[1980]; Graham and Johnston [1978];\n! scaled to yield unity\n! format: wl, abs_cs, qy\nBeginning\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n 402.500 2.7999999E-20 0.0000000E+00\n 407.500 4.4500000E-20 0.0000000E+00\n 412.500 5.3500000E-20 0.0000000E+00\n 417.500 8.1999997E-20 0.0000000E+00\n 422.500 1.0450000E-19 0.0000000E+00\n 427.500 1.2930000E-19 0.0000000E+00\n 432.500 1.8380000E-19 0.0000000E+00\n 437.500 1.9370001E-19 0.0000000E+00\n 442.500 2.2300001E-19 0.0000000E+00\n 447.500 2.8350000E-19 0.0000000E+00\n 452.500 3.3450000E-19 0.0000000E+00\n 457.500 3.7200000E-19 0.0000000E+00\n 462.500 4.3379998E-19 0.0000000E+00\n 467.500 5.0979999E-19 0.0000000E+00\n 472.500 6.0320001E-19 0.0000000E+00\n 477.500 6.4400002E-19 0.0000000E+00\n 482.500 6.8649999E-19 0.0000000E+00\n 487.500 8.8000002E-19 0.0000000E+00\n 492.500 9.6699999E-19 0.0000000E+00\n 497.500 9.8999995E-19 0.0000000E+00\n 502.500 1.0950000E-18 0.0000000E+00\n 507.500 1.3200000E-18 0.0000000E+00\n 512.500 1.4040000E-18 0.0000000E+00\n 517.500 1.4470000E-18 0.0000000E+00\n 522.500 1.4920000E-18 0.0000000E+00\n 527.500 1.9310000E-18 0.0000000E+00\n 532.500 2.0390000E-18 0.0000000E+00\n 537.500 1.8319999E-18 0.0000000E+00\n 542.500 1.8189999E-18 0.0000000E+00\n 547.500 2.3530000E-18 0.0000000E+00\n 552.500 2.6830000E-18 0.0000000E+00\n 557.500 3.0650001E-18 0.0000000E+00\n 562.500 2.5370000E-18 0.0000000E+00\n 567.500 2.4940000E-18 0.0000000E+00\n 572.500 2.6080000E-18 0.0000000E+00\n 577.500 2.9080000E-18 0.0000000E+00\n 582.500 2.6570001E-18 3.1818181E-02\n 587.500 4.7400001E-18 1.9090909E-01\n 592.500 3.7399999E-18 3.4999999E-01\n 597.500 2.6870001E-18 3.1111112E-01\n 602.500 3.0540000E-18 2.7222222E-01\n 607.500 1.5070000E-18 2.3333332E-01\n 612.500 1.8440000E-18 1.9444445E-01\n 617.500 4.6079999E-18 1.5555555E-01\n 622.500 8.1679999E-18 1.1666666E-01\n 627.500 4.8900002E-18 7.7777773E-02\n 632.500 1.4300000E-18 3.8888887E-02\n 637.500 1.0830000E-18 0.0000000E+00\n 642.500 6.7290000E-19 0.0000000E+00\n 647.100 5.0070002E-19 0.0000000E+00\n 655.000 7.3110003E-18 0.0000000E+00\n 665.000 1.3420000E-18 0.0000000E+00\n 675.000 3.3649999E-19 0.0000000E+00\n 685.000 1.7499999E-20 0.0000000E+00\n 695.000 0.0000000E+00 0.0000000E+00\n\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/NO3NO_SAPRC99", "content": "NO3NO\n! NO3 + HV = NO + O2 (T=298)\n! SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\n! Created from PhotDat.xls on 29-Jan-2000 10:07\nPoints (the mechanism was evaluated assuming this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n400.0 0.000E+00 0.000\n401.0 0.000E+00 0.000\n402.0 0.000E+00 0.000\n403.0 2.000E-20 0.000\n404.0 0.000E+00 0.000\n405.0 3.000E-20 0.000\n406.0 2.000E-20 0.000\n407.0 1.000E-20 0.000\n408.0 3.000E-20 0.000\n409.0 0.000E+00 0.000\n410.0 1.000E-20 0.000\n411.0 2.000E-20 0.000\n412.0 5.000E-20 0.000\n413.0 5.000E-20 0.000\n414.0 2.000E-20 0.000\n415.0 6.000E-20 0.000\n416.0 6.000E-20 0.000\n417.0 7.000E-20 0.000\n418.0 5.000E-20 0.000\n419.0 8.000E-20 0.000\n420.0 8.000E-20 0.000\n421.0 8.000E-20 0.000\n422.0 9.000E-20 0.000\n423.0 1.100E-19 0.000\n424.0 9.000E-20 0.000\n425.0 7.000E-20 0.000\n426.0 1.400E-19 0.000\n427.0 1.400E-19 0.000\n428.0 1.200E-19 0.000\n429.0 1.100E-19 0.000\n430.0 1.700E-19 0.000\n431.0 1.300E-19 0.000\n432.0 1.500E-19 0.000\n433.0 1.800E-19 0.000\n434.0 1.800E-19 0.000\n435.0 1.600E-19 0.000\n436.0 1.500E-19 0.000\n437.0 1.800E-19 0.000\n438.0 2.100E-19 0.000\n439.0 2.000E-19 0.000\n440.0 1.900E-19 0.000\n441.0 1.800E-19 0.000\n442.0 2.100E-19 0.000\n443.0 1.800E-19 0.000\n444.0 1.900E-19 0.000\n445.0 2.000E-19 0.000\n446.0 2.400E-19 0.000\n447.0 2.900E-19 0.000\n448.0 2.400E-19 0.000\n449.0 2.800E-19 0.000\n450.0 2.900E-19 0.000\n451.0 3.000E-19 0.000\n452.0 3.300E-19 0.000\n453.0 3.100E-19 0.000\n454.0 3.600E-19 0.000\n455.0 3.600E-19 0.000\n456.0 3.600E-19 0.000\n457.0 4.000E-19 0.000\n458.0 3.700E-19 0.000\n459.0 4.200E-19 0.000\n460.0 4.000E-19 0.000\n461.0 3.900E-19 0.000\n462.0 4.000E-19 0.000\n463.0 4.100E-19 0.000\n464.0 4.800E-19 0.000\n465.0 5.100E-19 0.000\n466.0 5.400E-19 0.000\n467.0 5.700E-19 0.000\n468.0 5.600E-19 0.000\n469.0 5.800E-19 0.000\n470.0 5.900E-19 0.000\n471.0 6.200E-19 0.000\n472.0 6.400E-19 0.000\n473.0 6.200E-19 0.000\n474.0 6.200E-19 0.000\n475.0 6.800E-19 0.000\n476.0 7.800E-19 0.000\n477.0 7.700E-19 0.000\n478.0 7.300E-19 0.000\n479.0 7.300E-19 0.000\n480.0 7.000E-19 0.000\n481.0 7.100E-19 0.000\n482.0 7.100E-19 0.000\n483.0 7.200E-19 0.000\n484.0 7.700E-19 0.000\n485.0 8.200E-19 0.000\n486.0 9.100E-19 0.000\n487.0 9.200E-19 0.000\n488.0 9.500E-19 0.000\n489.0 9.600E-19 0.000\n490.0 1.030E-18 0.000\n491.0 9.900E-19 0.000\n492.0 9.900E-19 0.000\n493.0 1.010E-18 0.000\n494.0 1.010E-18 0.000\n495.0 1.060E-18 0.000\n496.0 1.210E-18 0.000\n497.0 1.220E-18 0.000\n498.0 1.200E-18 0.000\n499.0 1.170E-18 0.000\n500.0 1.130E-18 0.000\n501.0 1.110E-18 0.000\n502.0 1.110E-18 0.000\n503.0 1.110E-18 0.000\n504.0 1.260E-18 0.000\n505.0 1.280E-18 0.000\n506.0 1.340E-18 0.000\n507.0 1.280E-18 0.000\n508.0 1.270E-18 0.000\n509.0 1.350E-18 0.000\n510.0 1.510E-18 0.000\n511.0 1.730E-18 0.000\n512.0 1.770E-18 0.000\n513.0 1.600E-18 0.000\n514.0 1.580E-18 0.000\n515.0 1.580E-18 0.000\n516.0 1.560E-18 0.000\n517.0 1.490E-18 0.000\n518.0 1.440E-18 0.000\n519.0 1.540E-18 0.000\n520.0 1.680E-18 0.000\n521.0 1.830E-18 0.000\n522.0 1.930E-18 0.000\n523.0 1.770E-18 0.000\n524.0 1.640E-18 0.000\n525.0 1.580E-18 0.000\n526.0 1.630E-18 0.000\n527.0 1.810E-18 0.000\n528.0 2.100E-18 0.000\n529.0 2.390E-18 0.000\n530.0 2.230E-18 0.000\n531.0 2.090E-18 0.000\n532.0 2.020E-18 0.000\n533.0 1.950E-18 0.000\n534.0 2.040E-18 0.000\n535.0 2.300E-18 0.000\n536.0 2.570E-18 0.000\n537.0 2.580E-18 0.000\n538.0 2.340E-18 0.000\n539.0 2.040E-18 0.000\n540.0 2.100E-18 0.000\n541.0 2.040E-18 0.000\n542.0 1.880E-18 0.000\n543.0 1.680E-18 0.000\n544.0 1.700E-18 0.000\n545.0 1.960E-18 0.000\n546.0 2.420E-18 0.000\n547.0 2.910E-18 0.000\n548.0 2.980E-18 0.000\n549.0 2.710E-18 0.000\n550.0 2.480E-18 0.000\n551.0 2.430E-18 0.000\n552.0 2.470E-18 0.000\n553.0 2.530E-18 0.000\n554.0 2.780E-18 0.000\n555.0 3.110E-18 0.000\n556.0 3.260E-18 0.000\n557.0 3.290E-18 0.000\n558.0 3.510E-18 0.000\n559.0 3.720E-18 0.000\n560.0 3.320E-18 0.000\n561.0 2.980E-18 0.000\n562.0 2.900E-18 0.000\n563.0 2.800E-18 0.000\n564.0 2.720E-18 0.000\n565.0 2.730E-18 0.000\n566.0 2.850E-18 0.000\n567.0 2.810E-18 0.000\n568.0 2.850E-18 0.000\n569.0 2.890E-18 0.000\n570.0 2.790E-18 0.000\n571.0 2.760E-18 0.000\n572.0 2.740E-18 0.000\n573.0 2.780E-18 0.000\n574.0 2.860E-18 0.000\n575.0 3.080E-18 0.000\n576.0 3.270E-18 0.000\n577.0 3.380E-18 0.000\n578.0 3.310E-18 0.000\n579.0 3.240E-18 0.000\n580.0 3.340E-18 0.000\n581.0 3.550E-18 0.000\n582.0 3.280E-18 0.000\n583.0 2.930E-18 0.000\n584.0 2.820E-18 0.000\n585.0 2.890E-18 0.000\n586.0 3.320E-18 0.050\n587.0 4.160E-18 0.100\n588.0 5.040E-18 0.150\n589.0 6.130E-18 0.200\n590.0 5.960E-18 0.250\n591.0 5.440E-18 0.280\n592.0 5.110E-18 0.310\n593.0 4.580E-18 0.340\n594.0 4.190E-18 0.370\n595.0 4.290E-18 0.400\n596.0 4.620E-18 0.370\n597.0 4.360E-18 0.340\n598.0 3.670E-18 0.310\n599.0 3.100E-18 0.280\n600.0 2.760E-18 0.250\n601.0 2.860E-18 0.240\n602.0 3.320E-18 0.230\n603.0 3.800E-18 0.220\n604.0 4.370E-18 0.210\n605.0 4.360E-18 0.200\n606.0 3.320E-18 0.200\n607.0 2.400E-18 0.200\n608.0 1.850E-18 0.200\n609.0 1.710E-18 0.200\n610.0 1.770E-18 0.200\n611.0 1.910E-18 0.180\n612.0 2.230E-18 0.160\n613.0 2.630E-18 0.140\n614.0 2.550E-18 0.120\n615.0 2.260E-18 0.100\n616.0 2.090E-18 0.100\n617.0 2.110E-18 0.100\n618.0 2.390E-18 0.100\n619.0 2.560E-18 0.100\n620.0 3.270E-18 0.100\n621.0 5.240E-18 0.090\n622.0 1.020E-17 0.080\n623.0 1.470E-17 0.070\n624.0 1.210E-17 0.060\n625.0 8.380E-18 0.050\n626.0 7.300E-18 0.050\n627.0 7.530E-18 0.050\n628.0 7.370E-18 0.050\n629.0 6.980E-18 0.050\n630.0 6.760E-18 0.050\n631.0 4.840E-18 0.046\n632.0 3.270E-18 0.042\n633.0 2.170E-18 0.038\n634.0 1.640E-18 0.034\n635.0 1.440E-18 0.030\n636.0 1.690E-18 0.024\n637.0 2.070E-18 0.018\n638.0 2.030E-18 0.012\n639.0 1.580E-18 0.006\n640.0 1.230E-18 0.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/NOA", "content": "NOA\n!nitrooxy-acetone (NOA) photolysis cross sections (298 K) as MCM\n!Data form the MPI-Mainz spectral atlas:\n!http://www.atmosphere.mpg.de/enid/2295\n!Average of:\n!1. I. Barnes, K.H. Becker, and T. Zhu \n!J. Atmos. Chem. 17, 353-373 (1993).\n!2. J.M. Roberts and R.W. Fajer \n!Environ. Sci. Technol. 23, 945-951 (1989).\n!\n!quantum yields: estimated by analogy to the photolysis of ethyl nitrate and acetone as MCM \n!\nPoints (the mechanism evaluated with this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n245.0 2.29E-19 0.94\n250.0 1.47E-19 0.94\n255.0 1.07E-19 0.94\n260.0 8.53E-20 0.94\n265.0 7.63E-20 0.92\n270.0 7.29E-20 0.9\n275.0 7.02E-20 0.85\n280.0 6.67E-20 0.8\n285.0 6.25E-20 0.75\n290.0 5.83E-20 0.65\n295.0 5.18E-20 0.56\n300.0 4.48E-20 0.47\n305.0 3.61E-20 0.39\n310.0 2.69E-20 0.32\n315.0 1.86E-20 0.262\n320.0 1.31E-20 0.193\n325.0 7.90E-21 0.164\n330.0 4.55E-21 0.125\n335.0 2.20E-21 0.137\n340.0 1.60E-21 0.139\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/NOA_0_MCMv32", "content": "NOA_O_MCMv32\n!nitrooxy-acetone (NOA) photolysis quantum yields\n!cross section based on \n! J.M. Roberts and R.W. Fajer, UV absorption cross sections of organic nitrates \n! of potential atmospheric importance and estimation of atmospheric lifetimes,\n! Environ. Sci. Technol. 23, 945-951 (1989).\n! quantum yield based on set to zero out rate\n! \n!phi1 (CH3C(O)CH2O + NO2)\n!phi2 (CH3CO + HCHO + NO2)\n!phi3 (total)\n!\n!wavelength (nm) phi3\nPoints (the mechanism evaluated with this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n245 2.29E-19 0.000\n250 1.47E-19 0.000\n255 1.07E-19 0.000\n260 8.53E-20 0.000\n265 7.63E-20 0.000\n270 7.29E-20 0.000\n275 7.02E-20 0.000\n280 6.67E-20 0.000\n285 6.25E-20 0.000\n290 5.83E-20 0.000\n295 5.18E-20 0.000\n300 4.48E-20 0.000\n305 3.61E-20 0.000\n310 2.69E-20 0.000\n315 1.86E-20 0.000\n320 1.31E-20 0.000\n325 7.90E-21 0.000\n330 4.55E-21 0.000\n335 2.20E-21 0.000\n340 1.60E-21 0.000\n345 0.00E+00 0.000\n350 0.00E+00 0.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/NOA_B_MCMv32", "content": "NOA_MCMv32\n!nitrooxy-acetone (NOA) photolysis quantum yields\n!cross section based on \n! J.M. Roberts and R.W. Fajer, UV absorption cross sections of organic nitrates \n! of potential atmospheric importance and estimation of atmospheric lifetimes,\n! Environ. Sci. Technol. 23, 945-951 (1989).\n! quantum yield based on \n! J.-F. Mller, J. Peeters,and T. Stavrakou. Fast photolysis of carbonyl nitrates \n! from isoprene. Atmos. Chem. Phys., 14, 2497-2508, 2014.\n! www.atmos-chem-phys.net/14/2497/2014/doi:10.5194/acp-14-2497-2014\n! \n!phi1 (CH3C(O)CH2O + NO2)\n!phi2 (CH3CO + HCHO + NO2)\n!phi3 (total)\n!\n!wavelength (nm) phi3\nPoints (the mechanism evaluated with this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n245 2.29E-19 0.94\n250 1.47E-19 0.94\n255 1.07E-19 0.94\n260 8.53E-20 0.94\n265 7.63E-20 0.92\n270 7.29E-20 0.90\n275 7.02E-20 0.90\n280 6.67E-20 0.90\n285 6.25E-20 0.90\n290 5.83E-20 0.90\n295 5.18E-20 0.90\n300 4.48E-20 0.90\n305 3.61E-20 0.90\n310 2.69E-20 0.90\n315 1.86E-20 0.90\n320 1.31E-20 0.90\n325 7.90E-21 0.90\n330 4.55E-21 0.90\n335 2.20E-21 0.90\n340 1.60E-21 0.90\n345 0.00E+00 0.90\n350 0.00E+00 0.90\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/NOA_MCMv32", "content": "NOA_MCMv32\n!nitrooxy-acetone (NOA) photolysis quantum yields\n!cross section based on \n! J.M. Roberts and R.W. Fajer, UV absorption cross sections of organic nitrates \n! of potential atmospheric importance and estimation of atmospheric lifetimes,\n! Environ. Sci. Technol. 23, 945-951 (1989).\n! quantum yield based on \n! J.-F. Mller, J. Peeters,and T. Stavrakou. Fast photolysis of carbonyl nitrates \n! from isoprene. Atmos. Chem. Phys., 14, 2497-2508, 2014.\n! www.atmos-chem-phys.net/14/2497/2014/doi:10.5194/acp-14-2497-2014\n! \n!phi1 (CH3C(O)CH2O + NO2)\n!phi2 (CH3CO + HCHO + NO2)\n!phi3 (total)\n!\n!wavelength (nm) phi3\nPoints (the mechanism evaluated with this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n245 2.29E-19 0.94\n250 1.47E-19 0.94\n255 1.07E-19 0.94\n260 8.53E-20 0.94\n265 7.63E-20 0.92\n270 7.29E-20 0.90\n275 7.02E-20 0.90\n280 6.67E-20 0.90\n285 6.25E-20 0.90\n290 5.83E-20 0.90\n295 5.18E-20 0.90\n300 4.48E-20 0.90\n305 3.61E-20 0.90\n310 2.69E-20 0.90\n315 1.86E-20 0.90\n320 1.31E-20 0.90\n325 7.90E-21 0.90\n330 4.55E-21 0.90\n335 2.20E-21 0.90\n340 1.60E-21 0.90\n345 0.00E+00 0.90\n350 0.00E+00 0.90\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/NOA_T_MCMv32", "content": "NOA_T_MCMv32\n!nitrooxy-acetone (NOA) photolysis quantum yields\n!cross section based on \n! J.M. Roberts and R.W. Fajer, UV absorption cross sections of organic nitrates \n! of potential atmospheric importance and estimation of atmospheric lifetimes,\n! Environ. Sci. Technol. 23, 945-951 (1989).\n! quantum yield based on \n! J.-F. Mller, J. Peeters,and T. Stavrakou. Fast photolysis of carbonyl nitrates \n! from isoprene. Atmos. Chem. Phys., 14, 2497-2508, 2014.\n! www.atmos-chem-phys.net/14/2497/2014/doi:10.5194/acp-14-2497-2014\n! \n!phi1 (CH3C(O)CH2O + NO2)\n!phi2 (CH3CO + HCHO + NO2)\n!phi3 (total)\n!\n!wavelength (nm) phi3\nPoints (the mechanism evaluated with this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n245 2.29E-19 0.94 \n250 1.47E-19 0.94 \n255 1.07E-19 0.94 \n260 8.53E-20 0.94 \n265 7.63E-20 0.92 \n270 7.29E-20 0.9 \n275 7.02E-20 0.85 \n280 6.67E-20 0.8 \n285 6.25E-20 0.75 \n290 5.83E-20 0.65 \n295 5.18E-20 0.56 \n300 4.48E-20 0.47 \n305 3.61E-20 0.39 \n310 2.69E-20 0.32 \n315 1.86E-20 0.262\n320 1.31E-20 0.193\n325 7.90E-21 0.164\n330 4.55E-21 0.125\n335 2.20E-21 0.137\n340 1.60E-21 0.139\n345 0.00E+00 0.125\n350 0.00E+00 0.125\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/NPRONO3_MCMv32", "content": "NPRONO3_MCMv32\n!1-propyl nitrate cross-sections (n-CH3CH2CH2ONO2)\n!\n!Taken from the MPI-Mainz Spectral Atlas\n!http://www.atmosphere.mpg.de/enid/2295\n!\n!From IUPAC 2005 recommendation\n!http://iupac.pole-ether.fr/htdocs/datasheets/pdf/P16_n-C3H7ONO2+hv.pdf\n!\n!Taken from:\n!1. J. M. Roberts and R. W. Fajer, Environ. Sci. Technol. 23, 945 (1989).\n!2. M. P. Turberg, D. M. Giolando, C. Tilt, T. Soper, S. Mason, M. Davies, P. Klingensmith,\n! and G. A. Takacs, J. Photochem. Photobiol. A51, 281 (1990).\n!3. K. C. Clemitshaw, J. Williams, O. V. Rattigan, D. E. Shallcross, K. S. Law, and R. A.\n! Cox, J. Photochem. Photobiol. A: Chemistry 102, 117 (1997).\n!\n!Quantum Yield\n!\n!There are no data on either the products of photodissociation or the quantum yields. \n!However, the quantum yields for photodissociation of both ethyl and methyl nitrate to form \n!NO2 have been shown to be unity at 308 nm and 248 nm, see IUPAC datasheets for these RONO2 species\n!wavelength (nm) sigma (298K)\nPoints (the mechanism evaluated with this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n185.0 1.81E-17 1.000\n190.0 1.80E-17 1.000\n195.0 1.60E-17 1.000\n200.0 1.26E-17 1.000\n205.0 8.55E-18 1.000\n210.0 4.89E-18 1.000\n215.0 2.44E-18 1.000\n220.0 1.05E-18 1.000\n225.0 5.00E-19 1.000\n230.0 2.70E-19 1.000\n235.0 1.50E-19 1.000\n240.0 8.90E-20 1.000\n245.0 6.00E-20 1.000\n250.0 4.80E-20 1.000\n255.0 4.40E-20 1.000\n260.0 4.00E-20 1.000\n265.0 3.60E-20 1.000\n270.0 3.20E-20 1.000\n275.0 2.80E-20 1.000\n280.0 2.30E-20 1.000\n285.0 1.80E-20 1.000\n290.0 1.30E-20 1.000\n295.0 9.50E-21 1.000\n300.0 5.70E-21 1.000\n305.0 3.40E-21 1.000\n310.0 1.90E-21 1.000\n315.0 1.00E-21 1.000\n320.0 5.30E-22 1.000\n325.0 3.10E-22 1.000\n330.0 2.20E-22 1.000\n335.0 1.80E-22 1.000\n340.0 1.60E-22 1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/NTR_IUPAC04", "content": "NTR_IUPAC04\n!i-C3H7ONO2 + HV = iC3H7O + NO2 \n! From IUPAC Subcommittee on Gas Kinetic Data Evaluation\n! Data Sheet P17_i-C3H7ONO2+hv, updated 16th July 2001\n! Website: http://www.iupac-kinetic.ch.cam.ac.uk/\nPoints (! These are point values)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n280.0 2.800E-20 1.0\n285.0 2.200E-20 1.0\n290.0 1.600E-20 1.0\n295.0 1.200E-20 1.0\n300.0 7.800E-21 1.0\n305.0 5.000E-21 1.0\n310.0 2.900E-21 1.0\n315.0 1.700E-21 1.0\n320.0 8.500E-22 1.0\n325.0 4.400E-22 1.0\n330.0 2.200E-22 1.0\n335.0 1.100E-22 1.0\n340.0 5.300E-23 1.0\n345.0 1.800E-23 1.0\n350.0 8.000E-24 1.0\n355.0 2.900E-24 1.0\n360.0 1.800E-24 1.0\n365.0 0.0 1.0\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/NTR_IUPAC10", "content": "NTR_IUPAC10\n! j(NTR) IUPAC(2010) i-C3H7ONO2 \n! NTR = NO2 + XO2H + RO2 \n! From IUPAC Subcommittee on Gas Kinetic Data Evaluation\n! Data Sheet P17, updated 16th May, 2002 \n! These are point values \nBegining (the mechanism evaluated with this format)\n!WL(nm) XSEC(cm2) QY\nFAC=1.0\n280.0 2.800E-20 1.000\n285.0 2.200E-20 1.000\n290.0 1.600E-20 1.000\n295.0 1.200E-20 1.000\n300.0 7.800E-21 1.000\n305.0 5.000E-21 1.000\n310.0 2.900E-21 1.000\n315.0 1.700E-21 1.000\n320.0 8.500E-22 1.000\n325.0 4.400E-22 1.000\n330.0 2.200E-22 1.000\n335.0 1.100E-22 1.000\n340.0 5.300E-23 1.000\n345.0 1.800E-23 1.000\n350.0 8.000E-24 1.000\n355.0 2.900E-24 1.000\n360.0 1.800E-24 1.000\n361.0 0.000E+00 1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/O2_JPL06-2", "content": "O2_JPL06-2\n! Molecular Oxygen photolysis (O2)\n! O2 + hv -> O + O\n!\n! Reference:\n! Sander, S.P., R.R. Friedl, D.M. Golden, M.J. Kurylo, G.K. Moortgat,\n! H. Keller-Rudek, P.H. Wine, A.R. Ravishankara, C.E. Kolb, M.J. Molina,\n! B.J. Finlayson-Pitts, R.E. Huie, V.L. Orkin \"Chemical Kinetics and\n! Photochemical Data for Use in Atmospheric Studies, Evaluation Number 15,\"\n! JPL Publication 06-2, Jet Propulsion Laboratory, California Institute of\n! Technology Pasadena, CA, 2006\n!\n! Absorption cross sections from Table 4-2\n! Quantum yields set to 1.0 (not used in the photolysis rate program)\n! format: wavelength (nm), abs_cs, qy\nCentered\n! With FAC, units are (cm^2/molecule)\nFAC=1.0E-24\n 205 7.35 1.0\n 206 7.13 1.0\n 207 7.05 1.0\n 208 6.86 1.0\n 209 6.68 1.0\n 210 6.51 1.0\n 211 6.24 1.0\n 212 6.05 1.0\n 213 5.89 1.0\n 214 5.72 1.0\n 215 5.59 1.0\n 216 5.35 1.0\n 217 5.13 1.0\n 218 4.88 1.0\n 219 4.64 1.0\n 220 4.46 1.0\n 221 4.26 1.0\n 222 4.09 1.0\n 223 3.89 1.0\n 224 3.67 1.0\n 225 3.45 1.0\n 226 3.21 1.0\n 227 2.98 1.0\n 228 2.77 1.0\n 229 2.63 1.0\n 230 2.43 1.0\n 231 2.25 1.0\n 232 2.10 1.0\n 233 1.94 1.0\n 234 1.78 1.0\n 235 1.63 1.0\n 236 1.48 1.0\n 237 1.34 1.0\n 238 1.22 1.0\n 239 1.10 1.0\n 240 1.01 1.0\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/O2_NASA94", "content": "O2_NASA94\n! Molecular Oxygen photolysis (O2)\n! O2 + hv -> O + O\n! Taken from NASA (1994); QY was set to 1.0 and is not used in the\n! photolysis rate program.\n! format: wl, abs_cs, qy\nCentered\n! With FAC, units are (cm^2/molecule)\nFAC=1.0E-24\n 205 7.35 1.0\n 206 7.13 1.0\n 207 7.05 1.0\n 208 6.86 1.0\n 209 6.68 1.0\n 210 6.51 1.0\n 211 6.24 1.0\n 212 6.05 1.0\n 213 5.89 1.0\n 214 5.72 1.0\n 215 5.59 1.0\n 216 5.35 1.0\n 217 5.13 1.0\n 218 4.88 1.0\n 219 4.64 1.0\n 220 4.46 1.0\n 221 4.26 1.0\n 222 4.09 1.0\n 223 3.89 1.0\n 224 3.67 1.0\n 225 3.45 1.0\n 226 3.21 1.0\n 227 2.98 1.0\n 228 2.77 1.0\n 229 2.63 1.0\n 230 2.43 1.0\n 231 2.25 1.0\n 232 2.10 1.0\n 233 1.94 1.0\n 234 1.78 1.0\n 235 1.63 1.0\n 236 1.48 1.0\n 237 1.34 1.0\n 238 1.22 1.0\n 239 1.10 1.0\n 240 1.01 1.0\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/O2_RADM88", "content": "O2_RADM88\n! Molecular Oxygen photolysis (O2)\n! O2 + hv -> O + O\n! Taken from the RADM input file; from WMO (1988) report\n! format: wl, abs_cs, qy\nBeginning\n! With FAC, units are (cm^2/molecule)\nFAC=1.0E-24\n 185.185 7.04 1.0\n 186.916 7.36 1.0\n 188.679 7.64 1.0\n 190.476 7.87 1.0\n 192.308 8.04 1.0\n 194.175 8.14 1.0\n 196.078 8.17 1.0\n 198.020 8.13 1.0\n 200.000 8.01 1.0\n 202.020 7.84 1.0\n 204.082 7.63 1.0\n 206.186 7.33 1.0\n 208.333 6.99 1.0\n 210.526 6.45 1.0\n 212.766 5.81 1.0\n 215.054 5.23 1.0\n 217.391 4.71 1.0\n 219.780 4.26 1.0\n 222.222 3.80 1.0\n 224.719 3.35 1.0\n 227.273 2.90 1.0\n 229.885 2.45 1.0\n 232.558 2.05 1.0\n 235.294 1.69 1.0\n 238.095 1.30 1.0\n 240.964 0.93 1.0\n 243.902 0.00 1.0\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/O3O1D-06", "content": "O3O1D-06 \n! O3 + HV = O1D + O2 \n! NASA (2006) abs. Coefs and IUPAC (2006) quantum yields \n! Absorption cross sections from NASA (2006). \n! Quantum yields are from IUPAC (2006) recommendation, interpolated \n! to the NASA (2006) absorption cross section wavelengths. \n! NASA (2006) does not give useable recommendations for the absorption \n! cross sections, except at <305 and >329 nm, where they are consistent \n! with the IUPAC recommendations. \n! Formation of O1D assumed not to occur at the high wavelength band. \n! \nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n279.7 4.060E-18 0.9000\n283.7 2.820E-18 0.9000\n287.8 1.840E-18 0.9000\n292.0 1.130E-18 0.9000\n296.3 6.510E-19 0.9000\n299.0 4.520E-19 0.9000\n300.0 3.920E-19 0.9000\n301.0 3.430E-19 0.9000\n302.0 3.030E-19 0.9000\n303.0 2.620E-19 0.9000\n304.0 2.340E-19 0.9000\n305.0 2.010E-19 0.9000\n306.0 1.790E-19 0.8840\n307.0 1.550E-19 0.8620\n308.0 1.350E-19 0.7930\n309.0 1.220E-19 0.6710\n310.0 1.020E-19 0.5230\n311.0 9.240E-20 0.3940\n312.0 7.950E-20 0.3100\n313.0 6.910E-20 0.2650\n314.0 6.250E-20 0.2460\n315.0 5.190E-20 0.2390\n316.0 4.770E-20 0.2330\n317.0 4.020E-20 0.2220\n318.0 3.720E-20 0.2060\n319.0 2.890E-20 0.1870\n320.0 2.990E-20 0.1660\n321.0 2.100E-20 0.1460\n322.5 2.050E-20 0.1210\n324.5 1.410E-20 0.0970\n326.5 1.010E-20 0.0840\n329.0 7.864E-21 0.0800\n330.0 6.970E-21 0.0800\n335.0 3.200E-21 0.0800\n340.0 1.460E-21 0.0800\n345.0 7.790E-22 0.0800\n350.0 3.060E-22 0.0800\n355.0 1.360E-22 0.0800\n360.0 6.940E-23 0.0800\n365.0 3.050E-23 0.0800\n370.0 1.300E-23 0.0800\n375.0 8.500E-24 0.0800\n380.0 5.720E-24 0.0800\n385.0 5.420E-24 0.0800\n390.0 6.680E-24 0.0000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/O3O1D_06", "content": "O3O1D-06 \n! O3 + HV = O1D + O2 \n! NASA (2006) abs. Coefs and IUPAC (2006) quantum yields \n! Absorption cross sections from NASA (2006). \n! Quantum yields are from IUPAC (2006) recommendation, interpolated \n! to the NASA (2006) absorption cross section wavelengths. \n! NASA (2006) does not give useable recommendations for the absorption \n! cross sections, except at <305 and >329 nm, where they are consistent \n! with the IUPAC recommendations. \n! Formation of O1D assumed not to occur at the high wavelength band. \n!\n! B. Hutzell: Aug 12, 2013\n! modified wavelength values to be consistent with O3O3P_06 file \n! B. Hutzell: Mar 20, 2017\n! values below 280 nm from JPL2011 \nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n121.6 2.990E-17 0.900\n186.1 6.220E-19 0.900\n187.8 5.760E-19 0.900\n189.6 5.260E-19 0.900\n191.4 4.770E-19 0.900\n193.2 4.290E-19 0.900\n195.1 3.850E-19 0.900\n197.0 3.490E-19 0.900\n199.0 3.240E-19 0.900\n201.0 3.150E-19 0.900\n203.1 3.260E-19 0.900\n205.1 3.630E-19 0.900\n207.3 4.330E-19 0.900\n209.4 5.390E-19 0.900\n211.6 6.930E-19 0.900\n213.9 9.030E-19 0.900\n216.2 1.180E-18 0.900\n218.6 1.540E-18 0.900\n221.0 1.990E-18 0.900\n223.5 2.550E-18 0.900\n226.0 3.220E-18 0.900\n228.6 4.010E-18 0.900\n231.2 4.900E-18 0.900\n233.9 5.900E-18 0.900\n236.7 6.930E-18 0.900\n239.5 8.020E-18 0.900\n242.4 9.080E-18 0.900\n245.4 1.000E-17 0.900\n248.5 1.080E-17 0.900\n251.6 1.130E-17 0.900\n254.8 1.150E-17 0.900\n258.1 1.120E-17 0.900\n261.4 1.060E-17 0.900\n264.9 9.680E-18 0.900\n268.5 8.400E-18 0.900\n272.1 6.980E-18 0.900\n275.9 5.470E-18 0.900\n279.7 4.060E-18 0.9000\n280.0 4.060E-18 0.9000\n284.0 2.820E-18 0.9000\n288.0 1.840E-18 0.9000\n292.0 1.130E-18 0.9000\n296.0 6.510E-19 0.9000\n299.0 4.520E-19 0.9000\n300.0 3.920E-19 0.9000\n301.0 3.430E-19 0.9000\n302.0 3.030E-19 0.9000\n303.0 2.620E-19 0.9000\n304.0 2.340E-19 0.9000\n305.0 2.010E-19 0.9000\n306.0 1.790E-19 0.8840\n307.0 1.550E-19 0.8620\n308.0 1.350E-19 0.7930\n309.0 1.220E-19 0.6710\n310.0 1.020E-19 0.5230\n311.0 9.240E-20 0.3940\n312.0 7.950E-20 0.3100\n313.0 6.910E-20 0.2650\n314.0 6.250E-20 0.2460\n315.0 5.190E-20 0.2390\n316.0 4.770E-20 0.2330\n317.0 4.020E-20 0.2220\n318.0 3.720E-20 0.2060\n319.0 2.890E-20 0.1870\n320.0 2.990E-20 0.1660\n321.0 2.100E-20 0.1460\n323.0 2.050E-20 0.1210\n325.0 1.410E-20 0.0970\n327.0 1.010E-20 0.0840\n329.0 7.864E-21 0.0800\n330.0 6.970E-21 0.0800\n335.0 3.200E-21 0.0800\n340.0 1.460E-21 0.0800\n345.0 7.790E-22 0.0800\n350.0 3.060E-22 0.0800\n355.0 1.360E-22 0.0800\n360.0 6.940E-23 0.0800\n365.0 3.050E-23 0.0800\n370.0 1.300E-23 0.0800\n375.0 8.500E-24 0.0800\n380.0 5.720E-24 0.0800\n385.0 5.420E-24 0.0800\n390.0 6.680E-24 0.0000\n395.0 9.560E-24 0.0000\n400.0 1.150E-23 0.0000\n405.0 1.580E-23 0.0000\n410.0 2.580E-23 0.0000\n415.0 2.950E-23 0.0000\n420.0 3.930E-23 0.0000\n425.0 6.560E-23 0.0000\n430.0 6.970E-23 0.0000\n435.0 8.820E-23 0.0000\n440.0 1.370E-22 0.0000\n445.0 1.650E-22 0.0000\n450.0 1.850E-22 0.0000\n455.0 2.180E-22 0.0000\n460.0 3.660E-22 0.0000\n465.0 3.670E-22 0.0000\n470.0 4.100E-22 0.0000\n475.0 4.810E-22 0.0000\n480.0 7.540E-22 0.0000\n485.0 8.130E-22 0.0000\n490.0 8.160E-22 0.0000\n495.0 9.080E-22 0.0000\n500.0 1.210E-21 0.0000\n505.0 1.600E-21 0.0000\n510.0 1.580E-21 0.0000\n515.0 1.660E-21 0.0000\n520.0 1.830E-21 0.0000\n525.0 2.190E-21 0.0000\n530.0 2.670E-21 0.0000\n535.0 2.870E-21 0.0000\n540.0 2.950E-21 0.0000\n545.0 3.190E-21 0.0000\n550.0 3.370E-21 0.0000\n555.0 3.580E-21 0.0000\n560.0 3.980E-21 0.0000\n565.0 4.390E-21 0.0000\n570.0 4.670E-21 0.0000\n575.0 4.810E-21 0.0000\n580.0 4.640E-21 0.0000\n585.0 4.460E-21 0.0000\n590.0 4.470E-21 0.0000\n595.0 4.760E-21 0.0000\n600.0 5.130E-21 0.0000\n605.0 5.140E-21 0.0000\n610.0 4.780E-21 0.0000\n615.0 4.380E-21 0.0000\n620.0 4.060E-21 0.0000\n625.0 3.820E-21 0.0000\n630.0 3.560E-21 0.0000\n635.0 3.270E-21 0.0000\n640.0 2.970E-21 0.0000\n645.0 2.710E-21 0.0000\n650.0 2.510E-21 0.0000\n655.0 2.310E-21 0.0000\n660.0 2.100E-21 0.0000\n665.0 1.900E-21 0.0000\n670.0 1.700E-21 0.0000\n675.0 1.510E-21 0.0000\n680.0 1.370E-21 0.0000\n685.0 1.260E-21 0.0000\n690.0 1.130E-21 0.0000\n695.0 9.890E-22 0.0000\n700.0 8.680E-22 0.0000\n705.0 7.840E-22 0.0000\n710.0 7.310E-22 0.0000\n715.0 6.960E-22 0.0000\n720.0 6.220E-22 0.0000\n725.0 5.430E-22 0.0000\n730.0 4.780E-22 0.0000\n735.0 4.420E-22 0.0000\n740.0 4.320E-22 0.0000\n745.0 4.470E-22 0.0000\n750.0 4.250E-22 0.0000\n755.0 3.380E-22 0.0000\n760.0 2.860E-22 0.0000\n765.0 2.620E-22 0.0000\n770.0 2.600E-22 0.0000\n775.0 2.940E-22 0.0000\n780.0 3.180E-22 0.0000\n785.0 2.620E-22 0.0000\n790.0 2.080E-22 0.0000\n795.0 1.730E-22 0.0000\n800.0 1.570E-22 0.0000\n805.0 1.560E-22 0.0000\n810.0 1.860E-22 0.0000\n815.0 2.210E-22 0.0000\n820.0 2.060E-22 0.0000\n825.0 1.450E-22 0.0000\n830.0 8.400E-23 0.0000\n835.0 2.300E-23 0.0000\n840.0 0.000E+00 0.0000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/O3O1D_CBIV88", "content": "O3O1D_CBIV88\n! Ozone Photolysis to O1D (O3O1D)\n! O3 + hv -> O2 + O(1D) \n! Taken from Gery et al. (1988); Absorption CS calculated by Bass (1985);\n! QY from Atkinson and Lloyd (1984).\n! format: wl, abs_cs, qy\nCentered\n! With FAC, units are (cm^2/molecule)\nFAC=1.0E-20\n 280 397.00 0.900\n 281 360.00 0.900\n 282 324.00 0.900\n 283 301.00 0.900\n 284 273.00 0.900\n 285 244.00 0.900\n 286 221.00 0.900\n 287 201.00 0.900\n 288 176.00 0.900\n 289 158.00 0.900\n 290 141.00 0.900\n 291 126.00 0.900\n 292 110.00 0.900\n 293 98.90 0.900\n 294 86.20 0.900\n 295 76.70 0.900\n 296 66.40 0.900\n 297 58.80 0.900\n 298 51.00 0.900\n 299 45.20 0.900\n 300 39.20 0.900\n 301 34.40 0.900\n 302 30.30 0.900\n 303 26.30 0.900\n 304 23.50 0.900\n 305 20.20 0.884\n 306 18.00 0.848\n 307 15.60 0.800\n 308 13.60 0.740\n 309 12.30 0.660\n 310 10.30 0.560\n 311 9.27 0.450\n 312 8.00 0.340\n 313 6.92 0.250\n 314 6.29 0.180\n 315 5.22 0.120\n 316 4.78 0.080\n 317 4.04 0.050\n 318 3.72 0.020\n 319 2.91 0.000 \n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/O3O1D_JPL06-2", "content": "O3O1D_JPL06-2\n! Ozone Photolysis to O1D (O3O1D)\n! O3 + hv -> O2 + O(1D)\n!\n! Reference:\n! Sander, S.P., R.R. Friedl, D.M. Golden, M.J. Kurylo, G.K. Moortgat,\n! H. Keller-Rudek, P.H. Wine, A.R. Ravishankara, C.E. Kolb, M.J. Molina,\n! B.J. Finlayson-Pitts, R.E. Huie, V.L. Orkin \"Chemical Kinetics and\n! Photochemical Data for Use in Atmospheric Studies, Evaluation Number 15,\"\n! JPL Publication 06-2, Jet Propulsion Laboratory, California Institute of\n! Technology Pasadena, CA, 2006\n!\n! Absorption cross sections at 293-298 K from Table 4-4\n! Quantum yields compute using recommended equation with parameters from\n! Table 4-6 for 298 K\n! format: wavelength (nm), abs_cs, qy\nBeginning\n! With FAC, units are (cm^2/molecule)\nFAC=1.0E-20\n 185.185 62.2 0.9\n 186.916 57.6 0.9\n 188.679 52.6 0.9\n 190.476 47.7 0.9\n 192.308 42.9 0.9\n 194.175 38.5 0.9\n 196.078 34.9 0.9\n 198.020 32.4 0.9\n 200.000 31.5 0.9\n 202.020 32.6 0.9\n 204.082 36.3 0.9\n 206.186 43.3 0.9\n 208.333 53.9 0.9\n 210.526 69.3 0.9\n 212.766 90.3 0.9\n 215.054 118.0 0.9\n 217.391 154.0 0.9\n 219.780 199.0 0.9\n 222.222 255.0 0.9\n 224.719 322.0 0.9\n 227.273 401.0 0.9\n 229.885 490.0 0.9\n 232.558 590.0 0.9\n 235.294 693.0 0.9\n 238.095 802.0 0.9\n 240.964 908.0 0.9\n 243.902 1001.0 0.9\n 246.914 1080.0 0.9\n 250.000 1125.0 0.9\n 253.165 1148.0 0.9\n 256.410 1122.0 0.9\n 259.740 1064.0 0.9\n 263.158 968.0 0.9\n 266.667 840.0 0.9\n 270.270 698.0 0.9\n 273.973 547.0 0.9\n 277.778 406.0 0.9\n 281.690 282.0 0.9\n 285.714 184.0 0.9\n 289.855 113.0 0.9\n 294.118 65.1 0.9\n 298.507 45.2 0.9\n 299.5 39.2 0.9\n 300.5 34.3 0.9\n 301.5 30.3 0.9\n 302.5 26.2 0.9\n 303.5 23.4 0.9\n 304.5 20.1 0.9\n 305.5 17.9 0.884\n 306.5 15.5 0.862\n 307.5 13.5 0.793\n 308.5 12.2 0.671\n 309.5 10.2 0.523\n 310.5 9.24 0.394\n 311.5 7.95 0.310\n 312.5 6.91 0.265\n 313.5 6.25 0.246\n 314.5 5.19 0.239\n 315.5 4.77 0.233\n 316.5 4.02 0.222\n 317.5 3.72 0.206\n 318.5 2.89 0.187\n 319.5 2.99 0.166\n 320.5 2.10 0.146\n 321.5 2.05 0.120\n 323.5 1.41 0.096\n 325.5 1.01 0.084\n 327.5 0.697 0.08\n 332.5 0.320 0.08\n 337.5 0.146 0.08\n 342.5 0.0779 0.0\n 347.5 0.0306 0.0\n 352.5 0.0136 0.0\n 357.5 0.00694 0.0\n 362.5 0.00305 0.0\n 367.5 0.00130 0.0\n 372.5 0.000850 0.0\n 377.5 0.000572 0.0\n 382.5 0.000542 0.0\n 387.5 0.000668 0.0\n 392.5 0.000956 0.0\n 397.5 0.00115 0.0\n 402.5 0.00158 0.0\n 407.5 0.00258 0.0\n 412.5 0.00295 0.0\n 417.5 0.00393 0.0\n 422.5 0.00656 0.0\n 427.5 0.00697 0.0\n 432.5 0.00882 0.0\n 437.5 0.0137 0.0\n 442.5 0.0165 0.0\n 447.5 0.0185 0.0\n 452.5 0.0218 0.0\n 457.5 0.0366 0.0\n 462.5 0.0367 0.0\n 467.5 0.0410 0.0\n 472.5 0.0481 0.0\n 477.5 0.0754 0.0\n 482.5 0.0813 0.0\n 487.5 0.0816 0.0\n 492.5 0.0908 0.0\n 497.5 0.121 0.0\n 502.5 0.160 0.0\n 507.5 0.158 0.0\n 512.5 0.166 0.0\n 517.5 0.183 0.0\n 522.5 0.219 0.0\n 527.5 0.267 0.0\n 532.5 0.287 0.0\n 537.5 0.295 0.0\n 542.5 0.319 0.0\n 547.5 0.337 0.0\n 552.5 0.358 0.0\n 557.5 0.398 0.0\n 562.5 0.439 0.0\n 567.5 0.467 0.0\n 572.5 0.481 0.0\n 577.5 0.464 0.0\n 582.5 0.446 0.0\n 587.5 0.447 0.0\n 592.5 0.476 0.0\n 597.5 0.513 0.0\n 602.5 0.514 0.0\n 607.5 0.478 0.0\n 612.5 0.438 0.0\n 617.5 0.406 0.0\n 622.5 0.382 0.0\n 627.5 0.356 0.0\n 632.5 0.327 0.0\n 637.5 0.297 0.0\n 642.5 0.271 0.0\n 647.5 0.251 0.0\n 652.5 0.231 0.0\n 657.5 0.210 0.0\n 662.5 0.190 0.0\n 667.5 0.170 0.0\n 672.5 0.151 0.0\n 677.5 0.137 0.0\n 682.5 0.126 0.0\n 687.5 0.113 0.0\n 692.5 0.0989 0.0\n 697.5 0.0868 0.0\n 702.5 0.0784 0.0\n 707.5 0.0731 0.0\n 712.5 0.0696 0.0\n 717.5 0.0622 0.0\n 722.5 0.0543 0.0\n 727.5 0.0478 0.0\n 732.5 0.0442 0.0\n 737.5 0.0432 0.0\n 742.5 0.0447 0.0\n 747.5 0.0425 0.0\n 752.5 0.0338 0.0\n 757.5 0.0286 0.0\n 762.5 0.0262 0.0\n 767.5 0.0260 0.0\n 772.5 0.0294 0.0\n 777.5 0.0318 0.0\n 782.5 0.0262 0.0\n 787.5 0.0208 0.0\n 792.5 0.0173 0.0\n 797.5 0.0157 0.0\n 802.5 0.0156 0.0\n 807.5 0.0186 0.0\n 812.5 0.0221 0.0\n 817.5 0.0206 0.0\n 822.5 0.0145 0.0\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/O3O1D_NASA06", "content": "O3O1D_NASA06\n! O3 + HV = O1D + O2\n! Absorption cross sections from NASA (2006) \n! Quantum yields from IUPAC (2006) \n! Taken from SAPRC07 \n! values below 280 nm from JPL2011 \nPoints (These data can be treated as point values)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n121.6 2.990E-17 0.900\n186.1 6.220E-19 0.900\n187.8 5.760E-19 0.900\n189.6 5.260E-19 0.900\n191.4 4.770E-19 0.900\n193.2 4.290E-19 0.900\n195.1 3.850E-19 0.900\n197.0 3.490E-19 0.900\n199.0 3.240E-19 0.900\n201.0 3.150E-19 0.900\n203.1 3.260E-19 0.900\n205.1 3.630E-19 0.900\n207.3 4.330E-19 0.900\n209.4 5.390E-19 0.900\n211.6 6.930E-19 0.900\n213.9 9.030E-19 0.900\n216.2 1.180E-18 0.900\n218.6 1.540E-18 0.900\n221.0 1.990E-18 0.900\n223.5 2.550E-18 0.900\n226.0 3.220E-18 0.900\n228.6 4.010E-18 0.900\n231.2 4.900E-18 0.900\n233.9 5.900E-18 0.900\n236.7 6.930E-18 0.900\n239.5 8.020E-18 0.900\n242.4 9.080E-18 0.900\n245.4 1.000E-17 0.900\n248.5 1.080E-17 0.900\n251.6 1.130E-17 0.900\n254.8 1.150E-17 0.900\n258.1 1.120E-17 0.900\n261.4 1.060E-17 0.900\n264.9 9.680E-18 0.900\n268.5 8.400E-18 0.900\n272.1 6.980E-18 0.900\n275.9 5.470E-18 0.900\n279.7 4.060E-18 0.9000\n283.7 2.820E-18 0.9000\n287.8 1.840E-18 0.9000\n292.0 1.130E-18 0.9000\n296.3 6.510E-19 0.9000\n299.0 4.520E-19 0.9000\n300.0 3.920E-19 0.9000\n301.0 3.430E-19 0.9000\n302.0 3.030E-19 0.9000\n303.0 2.620E-19 0.9000\n304.0 2.340E-19 0.9000\n305.0 2.010E-19 0.9000\n306.0 1.790E-19 0.8840\n307.0 1.550E-19 0.8620\n308.0 1.350E-19 0.7930\n309.0 1.220E-19 0.6710\n310.0 1.020E-19 0.5230\n311.0 9.240E-20 0.3940\n312.0 7.950E-20 0.3100\n313.0 6.910E-20 0.2650\n314.0 6.250E-20 0.2460\n315.0 5.190E-20 0.2390\n316.0 4.770E-20 0.2330\n317.0 4.020E-20 0.2220\n318.0 3.720E-20 0.2060\n319.0 2.890E-20 0.1870\n320.0 2.990E-20 0.1660\n321.0 2.100E-20 0.1460\n322.5 2.050E-20 0.1210\n324.5 1.410E-20 0.0970\n326.5 1.010E-20 0.0840\n329.0 7.864E-21 0.0800\n330.0 6.970E-21 0.0800\n335.0 3.200E-21 0.0800\n340.0 1.460E-21 0.0800\n345.0 7.790E-22 0.0800\n350.0 3.060E-22 0.0800\n355.0 1.360E-22 0.0800\n360.0 6.940E-23 0.0800\n365.0 3.050E-23 0.0800\n370.0 1.300E-23 0.0800\n375.0 8.500E-24 0.0800\n380.0 5.720E-24 0.0800\n385.0 5.420E-24 0.0800\n390.0 6.680E-24 0.0000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/O3O1D_NASA94", "content": "O3O1D_NASA94\n! Ozone Photolysis to O1D (O3O1D)\n! O3 + hv -> O2 + O(1D) \n! Taken from NASA (1994); Absorption CS is at 273 K; QY is at 298 K;\n! WMO (1988) data used for wl .ge. 362.5 nm\nBeginning\n! With FAC, units are (cm^2/molecule)\nFAC=1.0E-20\n 175.439 81.1 0.9\n 176.991 79.9 0.9\n 178.571 78.6 0.9\n 180.180 76.3 0.9\n 181.818 72.9 0.9\n 183.486 68.8 0.9\n 185.185 62.2 0.9\n 186.916 57.6 0.9\n 188.679 52.6 0.9\n 190.476 47.6 0.9\n 192.308 42.8 0.9\n 194.175 38.3 0.9\n 196.078 34.7 0.9\n 198.020 32.3 0.9\n 200.000 31.4 0.9\n 202.020 32.6 0.9\n 204.082 36.4 0.9\n 206.186 43.4 0.9\n 208.333 54.2 0.9\n 210.526 69.9 0.9\n 212.766 92.1 0.9\n 215.054 119.0 0.9\n 217.391 155.0 0.9\n 219.780 199.0 0.9\n 222.222 256.0 0.9\n 224.719 323.0 0.9\n 227.273 400.0 0.9\n 229.885 483.0 0.9\n 232.558 579.0 0.9\n 235.294 686.0 0.9\n 238.095 797.0 0.9\n 240.964 900.0 0.9\n 243.902 1000.0 0.9\n 246.914 1080.0 0.9\n 250.000 1130.0 0.9\n 253.165 1150.0 0.9\n 256.410 1120.0 0.9\n 259.740 1060.0 0.9\n 263.158 965.0 0.9\n 266.667 834.0 0.9\n 270.270 692.0 0.9\n 273.973 542.0 0.9\n 277.778 402.0 0.9\n 281.690 277.0 0.9\n 285.714 179.0 0.9\n 289.855 109.0 0.9483\n 294.118 62.4 0.95\n 298.507 34.3 0.95\n 303.030 18.5 0.92838\n 307.692 9.8 0.51807\n 312.500 5.01 0.06506\n 317.500 2.49 0.00165\n 322.500 1.2 0.0\n 327.500 0.617 0.0\n 332.500 0.274 0.0\n 337.500 0.117 0.0\n 342.500 0.0588 0.0\n 347.500 0.0266 0.0\n 352.500 0.0109 0.0\n 357.500 0.00549 0.0\n 362.500 0.0 0.0\n 367.500 0.0 0.0\n 372.500 0.0 0.0\n 377.500 0.0 0.0\n 382.500 0.0 0.0\n 387.500 0.0 0.0\n 392.500 0.0 0.0\n 397.500 0.0 0.0\n 402.500 0.0 0.0\n 407.500 0.00291 0.0\n 412.500 0.00314 0.0\n 417.500 0.00399 0.0\n 422.500 0.00654 0.0\n 427.500 0.00683 0.0\n 432.500 0.00866 0.0\n 437.500 0.0125 0.0\n 442.500 0.0149 0.0\n 447.500 0.0171 0.0\n 452.500 0.0212 0.0\n 457.500 0.0357 0.0\n 462.500 0.0368 0.0\n 467.500 0.0406 0.0\n 472.500 0.0489 0.0\n 477.500 0.0711 0.0\n 482.500 0.0843 0.0\n 487.500 0.0828 0.0\n 492.500 0.0909 0.0\n 497.500 0.122 0.0\n 502.500 0.162 0.0\n 507.500 0.158 0.0\n 512.500 0.16 0.0\n 517.500 0.178 0.0\n 522.500 0.207 0.0\n 527.500 0.255 0.0\n 532.500 0.274 0.0\n 537.500 0.288 0.0\n 542.500 0.307 0.0\n 547.500 0.317 0.0\n 552.500 0.336 0.0\n 557.500 0.388 0.0\n 562.500 0.431 0.0\n 567.500 0.467 0.0\n 572.500 0.475 0.0\n 577.500 0.455 0.0\n 582.500 0.435 0.0\n 587.500 0.442 0.0\n 592.500 0.461 0.0\n 597.500 0.489 0.0\n 602.500 0.484 0.0\n 607.500 0.454 0.0\n 612.500 0.424 0.0\n 617.500 0.39 0.0\n 622.500 0.36 0.0\n 627.500 0.343 0.0\n 632.500 0.317 0.0\n 637.500 0.274 0.0\n 642.500 0.261 0.0\n 647.500 0.242 0.0\n 652.500 0.22 0.0\n 657.500 0.202 0.0\n 662.500 0.185 0.0\n 667.500 0.167 0.0\n 672.500 0.154 0.0\n 677.500 0.142 0.0\n 682.500 0.125 0.0\n 687.500 0.112 0.0\n 692.500 0.102 0.0\n 697.500 0.092 0.0\n 702.500 0.084 0.0\n 707.500 0.077 0.0\n 712.500 0.069 0.0\n 717.500 0.063 0.0\n 722.500 0.057 0.0\n 727.500 0.0525 0.0\n 732.500 0.0475 0.0\n 737.500 0.0447 0.0\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/O3O1D_RADM88", "content": "O3O1D_RADM88\n! Ozone Photolysis to O1D (O3O1D)\n! O3 + hv -> O2 + O(1D) \n! Taken from the original RADM data\n! format: wl, abs_cs, qy\nBeginning\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n 185.185 6.229E-19 1.000E+00\n 186.916 5.763E-19 1.000E+00\n 188.679 5.259E-19 1.000E+00\n 190.476 4.750E-19 1.000E+00\n 192.308 4.266E-19 1.000E+00\n 194.175 3.819E-19 1.000E+00\n 196.078 3.461E-19 1.000E+00\n 198.020 3.216E-19 1.000E+00\n 200.000 3.139E-19 1.000E+00\n 202.020 3.265E-19 1.000E+00\n 204.082 3.653E-19 1.000E+00\n 206.186 4.368E-19 1.000E+00\n 208.333 5.464E-19 1.000E+00\n 210.526 7.046E-19 1.000E+00\n 212.766 9.201E-19 1.000E+00\n 215.054 1.204E-18 1.000E+00\n 217.391 1.565E-18 1.000E+00\n 219.780 2.003E-18 1.000E+00\n 222.222 2.565E-18 1.000E+00\n 224.719 3.243E-18 1.000E+00\n 227.273 4.039E-18 1.000E+00\n 229.885 4.936E-18 1.000E+00\n 232.558 5.934E-18 1.000E+00\n 235.294 7.006E-18 1.000E+00\n 238.095 8.110E-18 1.000E+00\n 240.964 9.196E-18 1.000E+00\n 243.902 1.018E-17 1.000E+00\n 246.914 1.098E-17 1.000E+00\n 250.000 1.143E-17 1.000E+00\n 253.165 1.164E-17 1.000E+00\n 256.410 1.136E-17 1.000E+00\n 259.740 1.075E-17 1.000E+00\n 263.158 9.430E-18 1.000E+00\n 266.667 8.230E-18 1.000E+00\n 270.270 6.810E-18 1.000E+00\n 273.973 5.310E-18 1.000E+00\n 277.778 3.990E-18 1.000E+00\n 281.690 2.840E-18 1.000E+00\n 285.714 1.920E-18 1.000E+00\n 289.855 1.140E-18 1.000E+00\n 294.118 6.600E-19 1.000E+00\n 298.500 3.850E-19 1.000E+00\n 302.500 2.730E-19 1.000E+00\n 303.500 2.390E-19 1.000E+00\n 304.500 2.080E-19 1.000E+00\n 305.500 1.810E-19 1.000E+00\n 306.500 1.580E-19 1.000E+00\n 307.500 1.380E-19 1.000E+00\n 308.500 1.200E-19 1.000E+00\n 309.500 1.050E-19 1.000E+00\n 310.500 9.200E-20 1.000E+00\n 311.500 8.000E-20 1.000E+00\n 312.500 7.000E-20 1.000E+00\n 313.500 6.100E-20 1.000E+00\n 314.500 4.630E-20 1.000E+00\n 317.500 2.910E-20 1.000E+00\n 322.500 1.500E-20 1.000E+00\n 327.500 7.780E-21 1.000E+00\n 332.500 3.720E-21 1.000E+00\n 337.500 1.710E-21 1.000E+00\n 342.500 7.460E-22 1.000E+00\n 347.500 2.660E-22 1.000E+00\n 352.500 1.090E-22 1.000E+00\n 357.500 5.490E-23 1.000E+00\n 362.500 0.000E+00 1.000E+00\n 367.500 0.000E+00 1.000E+00\n 372.500 0.000E+00 1.000E+00\n 377.500 0.000E+00 1.000E+00\n 382.500 0.000E+00 1.000E+00\n 387.500 0.000E+00 1.000E+00\n 392.500 0.000E+00 1.000E+00\n 397.500 0.000E+00 1.000E+00\n 402.500 0.000E+00 1.000E+00\n 407.500 2.910E-23 1.000E+00\n 412.500 3.140E-23 1.000E+00\n 417.500 3.990E-23 1.000E+00\n 422.500 6.540E-23 1.000E+00\n 427.500 6.830E-23 1.000E+00\n 432.500 8.660E-23 1.000E+00\n 437.500 1.250E-22 1.000E+00\n 442.500 1.490E-22 1.000E+00\n 447.500 1.710E-22 1.000E+00\n 452.500 2.120E-22 1.000E+00\n 457.500 3.570E-22 1.000E+00\n 462.500 3.680E-22 1.000E+00\n 467.500 4.060E-22 1.000E+00\n 472.500 4.890E-22 1.000E+00\n 477.500 7.110E-22 1.000E+00\n 482.500 8.430E-22 1.000E+00\n 487.500 8.280E-22 1.000E+00\n 492.500 9.090E-22 1.000E+00\n 497.500 1.220E-21 1.000E+00\n 502.500 1.620E-21 1.000E+00\n 507.500 1.580E-21 1.000E+00\n 512.500 1.600E-21 1.000E+00\n 517.500 1.780E-21 1.000E+00\n 522.500 2.070E-21 1.000E+00\n 527.500 2.550E-21 1.000E+00\n 532.500 2.740E-21 1.000E+00\n 537.500 2.880E-21 1.000E+00\n 542.500 3.070E-21 1.000E+00\n 547.500 3.170E-21 1.000E+00\n 552.500 3.360E-21 1.000E+00\n 557.500 3.880E-21 1.000E+00\n 562.500 4.310E-21 1.000E+00\n 567.500 4.670E-21 1.000E+00\n 572.500 4.750E-21 1.000E+00\n 577.500 4.550E-21 1.000E+00\n 582.500 4.350E-21 1.000E+00\n 587.500 4.420E-21 1.000E+00\n 592.500 4.610E-21 1.000E+00\n 597.500 4.890E-21 1.000E+00\n 602.500 4.840E-21 1.000E+00\n 607.500 4.540E-21 1.000E+00\n 612.500 4.240E-21 1.000E+00\n 617.500 3.900E-21 1.000E+00\n 622.500 3.600E-21 1.000E+00\n 627.500 3.430E-21 1.000E+00\n 632.500 3.170E-21 1.000E+00\n 637.500 2.740E-21 1.000E+00\n 642.500 2.610E-21 1.000E+00\n 647.100 2.400E-21 1.000E+00\n 655.000 2.070E-21 1.000E+00\n 665.000 1.720E-21 1.000E+00\n 675.000 1.370E-21 1.000E+00\n 685.000 1.110E-21 1.000E+00\n 695.000 9.130E-22 1.000E+00\n 705.000 7.930E-22 1.000E+00\n 715.000 6.400E-22 1.000E+00\n 725.000 5.140E-22 1.000E+00\n 735.000 0.000E+00 1.000E+00\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/O3O1D_SAPRC99", "content": "O3O1D\n! O3 + HV = O1D + O2\n! SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\n! Created from PhotDat.xls on 29-Jan-2000 10:07\n! Absorption cross sections from NASA (1999), using wavelength which is cente\n! r of intervals shown.\n! Quantum yields from IUPAC, Supplement VI (1997).\n! No quantum yield recommendation is given for wl>335. Assume they decrease \n! linearly to zero at 340 nm.\n! Values given are interpolated for each 1 nm interval.\nPoints (the mechanism was evaluated assuming this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n280.0 3.936E-18 0.905\n281.0 3.621E-18 0.907\n282.0 3.306E-18 0.910\n283.0 2.991E-18 0.912\n284.0 2.698E-18 0.914\n285.0 2.458E-18 0.916\n286.0 2.218E-18 0.918\n287.0 1.978E-18 0.921\n288.0 1.754E-18 0.923\n289.0 1.588E-18 0.925\n290.0 1.421E-18 0.927\n291.0 1.254E-18 0.930\n292.0 1.089E-18 0.932\n293.0 9.808E-19 0.934\n294.0 8.731E-19 0.936\n295.0 7.654E-19 0.939\n296.0 6.577E-19 0.941\n297.0 5.806E-19 0.943\n298.0 5.176E-19 0.945\n299.0 4.545E-19 0.948\n300.0 3.915E-19 0.950\n301.0 3.350E-19 0.965\n302.0 3.006E-19 0.975\n303.0 2.662E-19 0.985\n304.0 2.318E-19 0.990\n305.0 1.974E-19 0.980\n306.0 1.733E-19 0.950\n307.0 1.549E-19 0.877\n308.0 1.365E-19 0.773\n309.0 1.181E-19 0.667\n310.0 9.976E-20 0.600\n311.0 8.917E-20 0.388\n312.0 7.940E-20 0.303\n313.0 6.964E-20 0.262\n314.0 5.987E-20 0.238\n315.0 5.010E-20 0.235\n316.0 4.506E-20 0.221\n317.0 4.002E-20 0.209\n318.0 3.498E-20 0.194\n319.0 2.994E-20 0.178\n320.0 2.490E-20 0.148\n321.0 2.232E-20 0.121\n322.0 1.974E-20 0.097\n323.0 1.716E-20 0.092\n324.0 1.458E-20 0.080\n325.0 1.200E-20 0.070\n326.0 1.083E-20 0.066\n327.0 9.668E-21 0.062\n328.0 8.502E-21 0.058\n329.0 7.336E-21 0.054\n330.0 6.170E-21 0.050\n331.0 5.484E-21 0.050\n332.0 4.798E-21 0.050\n333.0 4.112E-21 0.050\n334.0 3.426E-21 0.050\n335.0 2.740E-21 0.050\n336.0 2.426E-21 0.040\n337.0 2.112E-21 0.030\n338.0 1.798E-21 0.020\n339.0 1.484E-21 0.010\n340.0 1.170E-21 0.000\n350.0 0.000E+00 0.000\n400.0 0.000E+00 0.000\n410.0 1.200E-23 0.000\n420.0 2.200E-23 0.000\n440.0 1.120E-22 0.000\n460.0 3.280E-22 0.000\n480.0 6.840E-22 0.000\n500.0 1.220E-21 0.000\n520.0 1.820E-21 0.000\n540.0 2.910E-21 0.000\n560.0 3.940E-21 0.000\n580.0 4.590E-21 0.000\n600.0 5.110E-21 0.000\n620.0 4.000E-21 0.000\n640.0 2.960E-21 0.000\n660.0 2.090E-21 0.000\n680.0 1.360E-21 0.000\n700.0 9.100E-22 0.000\n750.0 3.200E-22 0.000\n800.0 1.600E-22 0.000\n900.0 0.000E+00 0.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/O3O3P-06", "content": "O3O3P-06 \n! O3 + HV = O3P + O2 \n! Absorption cross sections from NASA (2006). \n! Quantum yields are derived from the O1D quantum yields in the low wavelength re\n! Unit quantum yields assumed in high wavelength region. \n! Absorption cross sections below 829 nm are extrapolated \n! \nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n280.0 4.060E-18 0.1000\n284.0 2.820E-18 0.1000\n288.0 1.840E-18 0.1000\n292.0 1.130E-18 0.1000\n296.0 6.510E-19 0.1000\n299.0 4.520E-19 0.1000\n300.0 3.920E-19 0.1000\n301.0 3.430E-19 0.1000\n302.0 3.030E-19 0.1000\n303.0 2.620E-19 0.1000\n304.0 2.340E-19 0.1000\n305.0 2.010E-19 0.1000\n306.0 1.790E-19 0.1160\n307.0 1.550E-19 0.1380\n308.0 1.350E-19 0.2070\n309.0 1.220E-19 0.3290\n310.0 1.020E-19 0.4770\n311.0 9.240E-20 0.6060\n312.0 7.950E-20 0.6900\n313.0 6.910E-20 0.7350\n314.0 6.250E-20 0.7540\n315.0 5.190E-20 0.7610\n316.0 4.770E-20 0.7670\n317.0 4.020E-20 0.7780\n318.0 3.720E-20 0.7940\n319.0 2.890E-20 0.8130\n320.0 2.990E-20 0.8340\n321.0 2.100E-20 0.8540\n323.0 2.050E-20 0.8800\n325.0 1.410E-20 0.9040\n327.0 1.010E-20 0.9160\n329.0 7.864E-21 0.9200\n330.0 6.970E-21 0.9200\n335.0 3.200E-21 0.9200\n340.0 1.460E-21 0.9200\n345.0 7.790E-22 0.9200\n350.0 3.060E-22 0.9200\n355.0 1.360E-22 0.9200\n360.0 6.940E-23 0.9200\n365.0 3.050E-23 0.9200\n370.0 1.300E-23 0.9200\n375.0 8.500E-24 0.9200\n380.0 5.720E-24 0.9200\n385.0 5.420E-24 0.9200\n390.0 6.680E-24 1.0000\n395.0 9.560E-24 1.0000\n400.0 1.150E-23 1.0000\n405.0 1.580E-23 1.0000\n410.0 2.580E-23 1.0000\n415.0 2.950E-23 1.0000\n420.0 3.930E-23 1.0000\n425.0 6.560E-23 1.0000\n430.0 6.970E-23 1.0000\n435.0 8.820E-23 1.0000\n440.0 1.370E-22 1.0000\n445.0 1.650E-22 1.0000\n450.0 1.850E-22 1.0000\n455.0 2.180E-22 1.0000\n460.0 3.660E-22 1.0000\n465.0 3.670E-22 1.0000\n470.0 4.100E-22 1.0000\n475.0 4.810E-22 1.0000\n480.0 7.540E-22 1.0000\n485.0 8.130E-22 1.0000\n490.0 8.160E-22 1.0000\n495.0 9.080E-22 1.0000\n500.0 1.210E-21 1.0000\n505.0 1.600E-21 1.0000\n510.0 1.580E-21 1.0000\n515.0 1.660E-21 1.0000\n520.0 1.830E-21 1.0000\n525.0 2.190E-21 1.0000\n530.0 2.670E-21 1.0000\n535.0 2.870E-21 1.0000\n540.0 2.950E-21 1.0000\n545.0 3.190E-21 1.0000\n550.0 3.370E-21 1.0000\n555.0 3.580E-21 1.0000\n560.0 3.980E-21 1.0000\n565.0 4.390E-21 1.0000\n570.0 4.670E-21 1.0000\n575.0 4.810E-21 1.0000\n580.0 4.640E-21 1.0000\n585.0 4.460E-21 1.0000\n590.0 4.470E-21 1.0000\n595.0 4.760E-21 1.0000\n600.0 5.130E-21 1.0000\n605.0 5.140E-21 1.0000\n610.0 4.780E-21 1.0000\n615.0 4.380E-21 1.0000\n620.0 4.060E-21 1.0000\n625.0 3.820E-21 1.0000\n630.0 3.560E-21 1.0000\n635.0 3.270E-21 1.0000\n640.0 2.970E-21 1.0000\n645.0 2.710E-21 1.0000\n650.0 2.510E-21 1.0000\n655.0 2.310E-21 1.0000\n660.0 2.100E-21 1.0000\n665.0 1.900E-21 1.0000\n670.0 1.700E-21 1.0000\n675.0 1.510E-21 1.0000\n680.0 1.370E-21 1.0000\n685.0 1.260E-21 1.0000\n690.0 1.130E-21 1.0000\n695.0 9.890E-22 1.0000\n700.0 8.680E-22 1.0000\n705.0 7.840E-22 1.0000\n710.0 7.310E-22 1.0000\n715.0 6.960E-22 1.0000\n720.0 6.220E-22 1.0000\n725.0 5.430E-22 1.0000\n730.0 4.780E-22 1.0000\n735.0 4.420E-22 1.0000\n740.0 4.320E-22 1.0000\n745.0 4.470E-22 1.0000\n750.0 4.250E-22 1.0000\n755.0 3.380E-22 1.0000\n760.0 2.860E-22 1.0000\n765.0 2.620E-22 1.0000\n770.0 2.600E-22 1.0000\n775.0 2.940E-22 1.0000\n780.0 3.180E-22 1.0000\n785.0 2.620E-22 1.0000\n790.0 2.080E-22 1.0000\n795.0 1.730E-22 1.0000\n800.0 1.570E-22 1.0000\n805.0 1.560E-22 1.0000\n810.0 1.860E-22 1.0000\n815.0 2.210E-22 1.0000\n820.0 2.060E-22 1.0000\n825.0 1.450E-22 1.0000\n830.0 8.400E-23 1.0000\n835.0 2.300E-23 1.0000\n840.0 0.000E+00 1.0000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/O3O3P_06", "content": "O3O3P_06 \n! O3 + HV = O3P + O2 \n! Absorption cross sections from NASA (2006). \n! Quantum yields are derived from the O1D quantum yields in the low wavelength re\n! Unit quantum yields assumed in high wavelength region. \n! Absorption cross sections below 829 nm are extrapolated \n! \n! B. Hutzell: Mar 20, 2017\n! values below 280 nm from JPL2011 \nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n121.6 2.990E-17 0.100\n186.1 6.220E-19 0.100\n187.8 5.760E-19 0.100\n189.6 5.260E-19 0.100\n191.4 4.770E-19 0.100\n193.2 4.290E-19 0.100\n195.1 3.850E-19 0.100\n197.0 3.490E-19 0.100\n199.0 3.240E-19 0.100\n201.0 3.150E-19 0.100\n203.1 3.260E-19 0.100\n205.1 3.630E-19 0.100\n207.3 4.330E-19 0.100\n209.4 5.390E-19 0.100\n211.6 6.930E-19 0.100\n213.9 9.030E-19 0.100\n216.2 1.180E-18 0.100\n218.6 1.540E-18 0.100\n221.0 1.990E-18 0.100\n223.5 2.550E-18 0.100\n226.0 3.220E-18 0.100\n228.6 4.010E-18 0.100\n231.2 4.900E-18 0.100\n233.9 5.900E-18 0.100\n236.7 6.930E-18 0.100\n239.5 8.020E-18 0.100\n242.4 9.080E-18 0.100\n245.4 1.000E-17 0.100\n248.5 1.080E-17 0.100\n251.6 1.130E-17 0.100\n254.8 1.150E-17 0.100\n258.1 1.120E-17 0.100\n261.4 1.060E-17 0.100\n264.9 9.680E-18 0.100\n268.5 8.400E-18 0.100\n272.1 6.980E-18 0.100\n275.9 5.470E-18 0.100\n279.7 4.060E-18 0.100\n280.0 4.060E-18 0.1000\n284.0 2.820E-18 0.1000\n288.0 1.840E-18 0.1000\n292.0 1.130E-18 0.1000\n296.0 6.510E-19 0.1000\n299.0 4.520E-19 0.1000\n300.0 3.920E-19 0.1000\n301.0 3.430E-19 0.1000\n302.0 3.030E-19 0.1000\n303.0 2.620E-19 0.1000\n304.0 2.340E-19 0.1000\n305.0 2.010E-19 0.1000\n306.0 1.790E-19 0.1160\n307.0 1.550E-19 0.1380\n308.0 1.350E-19 0.2070\n309.0 1.220E-19 0.3290\n310.0 1.020E-19 0.4770\n311.0 9.240E-20 0.6060\n312.0 7.950E-20 0.6900\n313.0 6.910E-20 0.7350\n314.0 6.250E-20 0.7540\n315.0 5.190E-20 0.7610\n316.0 4.770E-20 0.7670\n317.0 4.020E-20 0.7780\n318.0 3.720E-20 0.7940\n319.0 2.890E-20 0.8130\n320.0 2.990E-20 0.8340\n321.0 2.100E-20 0.8540\n323.0 2.050E-20 0.8800\n325.0 1.410E-20 0.9040\n327.0 1.010E-20 0.9160\n329.0 7.864E-21 0.9200\n330.0 6.970E-21 0.9200\n335.0 3.200E-21 0.9200\n340.0 1.460E-21 0.9200\n345.0 7.790E-22 0.9200\n350.0 3.060E-22 0.9200\n355.0 1.360E-22 0.9200\n360.0 6.940E-23 0.9200\n365.0 3.050E-23 0.9200\n370.0 1.300E-23 0.9200\n375.0 8.500E-24 0.9200\n380.0 5.720E-24 0.9200\n385.0 5.420E-24 0.9200\n390.0 6.680E-24 1.0000\n395.0 9.560E-24 1.0000\n400.0 1.150E-23 1.0000\n405.0 1.580E-23 1.0000\n410.0 2.580E-23 1.0000\n415.0 2.950E-23 1.0000\n420.0 3.930E-23 1.0000\n425.0 6.560E-23 1.0000\n430.0 6.970E-23 1.0000\n435.0 8.820E-23 1.0000\n440.0 1.370E-22 1.0000\n445.0 1.650E-22 1.0000\n450.0 1.850E-22 1.0000\n455.0 2.180E-22 1.0000\n460.0 3.660E-22 1.0000\n465.0 3.670E-22 1.0000\n470.0 4.100E-22 1.0000\n475.0 4.810E-22 1.0000\n480.0 7.540E-22 1.0000\n485.0 8.130E-22 1.0000\n490.0 8.160E-22 1.0000\n495.0 9.080E-22 1.0000\n500.0 1.210E-21 1.0000\n505.0 1.600E-21 1.0000\n510.0 1.580E-21 1.0000\n515.0 1.660E-21 1.0000\n520.0 1.830E-21 1.0000\n525.0 2.190E-21 1.0000\n530.0 2.670E-21 1.0000\n535.0 2.870E-21 1.0000\n540.0 2.950E-21 1.0000\n545.0 3.190E-21 1.0000\n550.0 3.370E-21 1.0000\n555.0 3.580E-21 1.0000\n560.0 3.980E-21 1.0000\n565.0 4.390E-21 1.0000\n570.0 4.670E-21 1.0000\n575.0 4.810E-21 1.0000\n580.0 4.640E-21 1.0000\n585.0 4.460E-21 1.0000\n590.0 4.470E-21 1.0000\n595.0 4.760E-21 1.0000\n600.0 5.130E-21 1.0000\n605.0 5.140E-21 1.0000\n610.0 4.780E-21 1.0000\n615.0 4.380E-21 1.0000\n620.0 4.060E-21 1.0000\n625.0 3.820E-21 1.0000\n630.0 3.560E-21 1.0000\n635.0 3.270E-21 1.0000\n640.0 2.970E-21 1.0000\n645.0 2.710E-21 1.0000\n650.0 2.510E-21 1.0000\n655.0 2.310E-21 1.0000\n660.0 2.100E-21 1.0000\n665.0 1.900E-21 1.0000\n670.0 1.700E-21 1.0000\n675.0 1.510E-21 1.0000\n680.0 1.370E-21 1.0000\n685.0 1.260E-21 1.0000\n690.0 1.130E-21 1.0000\n695.0 9.890E-22 1.0000\n700.0 8.680E-22 1.0000\n705.0 7.840E-22 1.0000\n710.0 7.310E-22 1.0000\n715.0 6.960E-22 1.0000\n720.0 6.220E-22 1.0000\n725.0 5.430E-22 1.0000\n730.0 4.780E-22 1.0000\n735.0 4.420E-22 1.0000\n740.0 4.320E-22 1.0000\n745.0 4.470E-22 1.0000\n750.0 4.250E-22 1.0000\n755.0 3.380E-22 1.0000\n760.0 2.860E-22 1.0000\n765.0 2.620E-22 1.0000\n770.0 2.600E-22 1.0000\n775.0 2.940E-22 1.0000\n780.0 3.180E-22 1.0000\n785.0 2.620E-22 1.0000\n790.0 2.080E-22 1.0000\n795.0 1.730E-22 1.0000\n800.0 1.570E-22 1.0000\n805.0 1.560E-22 1.0000\n810.0 1.860E-22 1.0000\n815.0 2.210E-22 1.0000\n820.0 2.060E-22 1.0000\n825.0 1.450E-22 1.0000\n830.0 8.400E-23 1.0000\n835.0 2.300E-23 1.0000\n840.0 0.000E+00 1.0000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/O3O3P_JPL06-2", "content": "O3O3P_JPL06-2\n! Ozone Photolysis to O3P (O3O3P)\n! O3 + hv -> O2 + O(3P)\n!\n! Reference:\n! Sander, S.P., R.R. Friedl, D.M. Golden, M.J. Kurylo, G.K. Moortgat,\n! H. Keller-Rudek, P.H. Wine, A.R. Ravishankara, C.E. Kolb, M.J. Molina,\n! B.J. Finlayson-Pitts, R.E. Huie, V.L. Orkin \"Chemical Kinetics and\n! Photochemical Data for Use in Atmospheric Studies, Evaluation Number 15,\"\n! JPL Publication 06-2, Jet Propulsion Laboratory, California Institute of\n! Technology Pasadena, CA, 2006\n!\n! Absorption cross sections at 293-298 K from Table 4-4\n! Quantum yields calculated as [1-qy(O1d)], with qy(O1d) computed using\n! recommended equation with parameters from Table 4-6 for 298 K\n! format: wavelength (nm), abs_cs, qy\nBeginning\n! With FAC, units are (cm^2/molecule)\nFAC=1.0E-20\n 185.185 62.2 0.1\n 186.916 57.6 0.1\n 188.679 52.6 0.1\n 190.476 47.7 0.1\n 192.308 42.9 0.1\n 194.175 38.5 0.1\n 196.078 34.9 0.1\n 198.020 32.4 0.1\n 200.000 31.5 0.1\n 202.020 32.6 0.1\n 204.082 36.3 0.1\n 206.186 43.3 0.1\n 208.333 53.9 0.1\n 210.526 69.3 0.1\n 212.766 90.3 0.1\n 215.054 118.0 0.1\n 217.391 154.0 0.1\n 219.780 199.0 0.1\n 222.222 255.0 0.1\n 224.719 322.0 0.1\n 227.273 401.0 0.1\n 229.885 490.0 0.1\n 232.558 590.0 0.1\n 235.294 693.0 0.1\n 238.095 802.0 0.1\n 240.964 908.0 0.1\n 243.902 1001.0 0.1\n 246.914 1080.0 0.1\n 250.000 1125.0 0.1\n 253.165 1148.0 0.1\n 256.410 1122.0 0.1\n 259.740 1064.0 0.1\n 263.158 968.0 0.1\n 266.667 840.0 0.1\n 270.270 698.0 0.1\n 273.973 547.0 0.1\n 277.778 406.0 0.1\n 281.690 282.0 0.1\n 285.714 184.0 0.1\n 289.855 113.0 0.1\n 294.118 65.1 0.1\n 298.507 45.2 0.1\n 299.5 39.2 0.1\n 300.5 34.3 0.1\n 301.5 30.3 0.1\n 302.5 26.2 0.1\n 303.5 23.4 0.1\n 304.5 20.1 0.1\n 305.5 17.9 0.116\n 306.5 15.5 0.138\n 307.5 13.5 0.207\n 308.5 12.2 0.329\n 309.5 10.2 0.477\n 310.5 9.24 0.606\n 311.5 7.95 0.690\n 312.5 6.91 0.735\n 313.5 6.25 0.754\n 314.5 5.19 0.761\n 315.5 4.77 0.767\n 316.5 4.02 0.778\n 317.5 3.72 0.794\n 318.5 2.89 0.813\n 319.5 2.99 0.834\n 320.5 2.10 0.854\n 321.5 2.05 0.880\n 323.5 1.41 0.904\n 325.5 1.01 0.916\n 327.5 0.697 0.92\n 332.5 0.320 0.92\n 337.5 0.146 0.92\n 342.5 0.0779 1.0\n 347.5 0.0306 1.0\n 352.5 0.0136 1.0\n 357.5 0.00694 1.0\n 362.5 0.00305 1.0\n 367.5 0.00130 1.0\n 372.5 0.000850 1.0\n 377.5 0.000572 1.0\n 382.5 0.000542 1.0\n 387.5 0.000668 1.0\n 392.5 0.000956 1.0\n 397.5 0.00115 1.0\n 402.5 0.00158 1.0\n 407.5 0.00258 1.0\n 412.5 0.00295 1.0\n 417.5 0.00393 1.0\n 422.5 0.00656 1.0\n 427.5 0.00697 1.0\n 432.5 0.00882 1.0\n 437.5 0.0137 1.0\n 442.5 0.0165 1.0\n 447.5 0.0185 1.0\n 452.5 0.0218 1.0\n 457.5 0.0366 1.0\n 462.5 0.0367 1.0\n 467.5 0.0410 1.0\n 472.5 0.0481 1.0\n 477.5 0.0754 1.0\n 482.5 0.0813 1.0\n 487.5 0.0816 1.0\n 492.5 0.0908 1.0\n 497.5 0.121 1.0\n 502.5 0.160 1.0\n 507.5 0.158 1.0\n 512.5 0.166 1.0\n 517.5 0.183 1.0\n 522.5 0.219 1.0\n 527.5 0.267 1.0\n 532.5 0.287 1.0\n 537.5 0.295 1.0\n 542.5 0.319 1.0\n 547.5 0.337 1.0\n 552.5 0.358 1.0\n 557.5 0.398 1.0\n 562.5 0.439 1.0\n 567.5 0.467 1.0\n 572.5 0.481 1.0\n 577.5 0.464 1.0\n 582.5 0.446 1.0\n 587.5 0.447 1.0\n 592.5 0.476 1.0\n 597.5 0.513 1.0\n 602.5 0.514 1.0\n 607.5 0.478 1.0\n 612.5 0.438 1.0\n 617.5 0.406 1.0\n 622.5 0.382 1.0\n 627.5 0.356 1.0\n 632.5 0.327 1.0\n 637.5 0.297 1.0\n 642.5 0.271 1.0\n 647.5 0.251 1.0\n 652.5 0.231 1.0\n 657.5 0.210 1.0\n 662.5 0.190 1.0\n 667.5 0.170 1.0\n 672.5 0.151 1.0\n 677.5 0.137 1.0\n 682.5 0.126 1.0\n 687.5 0.113 1.0\n 692.5 0.0989 1.0\n 697.5 0.0868 1.0\n 702.5 0.0784 1.0\n 707.5 0.0731 1.0\n 712.5 0.0696 1.0\n 717.5 0.0622 1.0\n 722.5 0.0543 1.0\n 727.5 0.0478 1.0\n 732.5 0.0442 1.0\n 737.5 0.0432 1.0\n 742.5 0.0447 1.0\n 747.5 0.0425 1.0\n 752.5 0.0338 1.0\n 757.5 0.0286 1.0\n 762.5 0.0262 1.0\n 767.5 0.0260 1.0\n 772.5 0.0294 1.0\n 777.5 0.0318 1.0\n 782.5 0.0262 1.0\n 787.5 0.0208 1.0\n 792.5 0.0173 1.0\n 797.5 0.0157 1.0\n 802.5 0.0156 1.0\n 807.5 0.0186 1.0\n 812.5 0.0221 1.0\n 817.5 0.0206 1.0\n 822.5 0.0145 1.0" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/O3O3P_NASA06", "content": "O3O3P_NASA06\n! O3 + HV = O3P + O2\n! Absorption cross sections from NASA (2006) \n! Quantum yields = 1 - QY of O3O1D \n! Taken from SAPRC07 \n! B. Hutzell: Mar 20, 2017\n! values below 280 nm from JPL2011 \nPoints (These data can be treated as point values)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n121.6 2.990E-17 0.100\n186.1 6.220E-19 0.100\n187.8 5.760E-19 0.100\n189.6 5.260E-19 0.100\n191.4 4.770E-19 0.100\n193.2 4.290E-19 0.100\n195.1 3.850E-19 0.100\n197.0 3.490E-19 0.100\n199.0 3.240E-19 0.100\n201.0 3.150E-19 0.100\n203.1 3.260E-19 0.100\n205.1 3.630E-19 0.100\n207.3 4.330E-19 0.100\n209.4 5.390E-19 0.100\n211.6 6.930E-19 0.100\n213.9 9.030E-19 0.100\n216.2 1.180E-18 0.100\n218.6 1.540E-18 0.100\n221.0 1.990E-18 0.100\n223.5 2.550E-18 0.100\n226.0 3.220E-18 0.100\n228.6 4.010E-18 0.100\n231.2 4.900E-18 0.100\n233.9 5.900E-18 0.100\n236.7 6.930E-18 0.100\n239.5 8.020E-18 0.100\n242.4 9.080E-18 0.100\n245.4 1.000E-17 0.100\n248.5 1.080E-17 0.100\n251.6 1.130E-17 0.100\n254.8 1.150E-17 0.100\n258.1 1.120E-17 0.100\n261.4 1.060E-17 0.100\n264.9 9.680E-18 0.100\n268.5 8.400E-18 0.100\n272.1 6.980E-18 0.100\n275.9 5.470E-18 0.100\n279.7 4.060E-18 0.100\n280.0 4.060E-18 0.1000\n284.0 2.820E-18 0.1000\n288.0 1.840E-18 0.1000\n292.0 1.130E-18 0.1000\n296.0 6.510E-19 0.1000\n299.0 4.520E-19 0.1000\n300.0 3.920E-19 0.1000\n301.0 3.430E-19 0.1000\n302.0 3.030E-19 0.1000\n303.0 2.620E-19 0.1000\n304.0 2.340E-19 0.1000\n305.0 2.010E-19 0.1000\n306.0 1.790E-19 0.1160\n307.0 1.550E-19 0.1380\n308.0 1.350E-19 0.2070\n309.0 1.220E-19 0.3290\n310.0 1.020E-19 0.4770\n311.0 9.240E-20 0.6060\n312.0 7.950E-20 0.6900\n313.0 6.910E-20 0.7350\n314.0 6.250E-20 0.7540\n315.0 5.190E-20 0.7610\n316.0 4.770E-20 0.7670\n317.0 4.020E-20 0.7780\n318.0 3.720E-20 0.7940\n319.0 2.890E-20 0.8130\n320.0 2.990E-20 0.8340\n321.0 2.100E-20 0.8540\n323.0 2.050E-20 0.8800\n325.0 1.410E-20 0.9040\n327.0 1.010E-20 0.9160\n329.0 7.864E-21 0.9200\n330.0 6.970E-21 0.9200\n335.0 3.200E-21 0.9200\n340.0 1.460E-21 0.9200\n345.0 7.790E-22 0.9200\n350.0 3.060E-22 0.9200\n355.0 1.360E-22 0.9200\n360.0 6.940E-23 0.9200\n365.0 3.050E-23 0.9200\n370.0 1.300E-23 0.9200\n375.0 8.500E-24 0.9200\n380.0 5.720E-24 0.9200\n385.0 5.420E-24 0.9200\n390.0 6.680E-24 1.0000\n395.0 9.560E-24 1.0000\n400.0 1.150E-23 1.0000\n405.0 1.580E-23 1.0000\n410.0 2.580E-23 1.0000\n415.0 2.950E-23 1.0000\n420.0 3.930E-23 1.0000\n425.0 6.560E-23 1.0000\n430.0 6.970E-23 1.0000\n435.0 8.820E-23 1.0000\n440.0 1.370E-22 1.0000\n445.0 1.650E-22 1.0000\n450.0 1.850E-22 1.0000\n455.0 2.180E-22 1.0000\n460.0 3.660E-22 1.0000\n465.0 3.670E-22 1.0000\n470.0 4.100E-22 1.0000\n475.0 4.810E-22 1.0000\n480.0 7.540E-22 1.0000\n485.0 8.130E-22 1.0000\n490.0 8.160E-22 1.0000\n495.0 9.080E-22 1.0000\n500.0 1.210E-21 1.0000\n505.0 1.600E-21 1.0000\n510.0 1.580E-21 1.0000\n515.0 1.660E-21 1.0000\n520.0 1.830E-21 1.0000\n525.0 2.190E-21 1.0000\n530.0 2.670E-21 1.0000\n535.0 2.870E-21 1.0000\n540.0 2.950E-21 1.0000\n545.0 3.190E-21 1.0000\n550.0 3.370E-21 1.0000\n555.0 3.580E-21 1.0000\n560.0 3.980E-21 1.0000\n565.0 4.390E-21 1.0000\n570.0 4.670E-21 1.0000\n575.0 4.810E-21 1.0000\n580.0 4.640E-21 1.0000\n585.0 4.460E-21 1.0000\n590.0 4.470E-21 1.0000\n595.0 4.760E-21 1.0000\n600.0 5.130E-21 1.0000\n605.0 5.140E-21 1.0000\n610.0 4.780E-21 1.0000\n615.0 4.380E-21 1.0000\n620.0 4.060E-21 1.0000\n625.0 3.820E-21 1.0000\n630.0 3.560E-21 1.0000\n635.0 3.270E-21 1.0000\n640.0 2.970E-21 1.0000\n645.0 2.710E-21 1.0000\n650.0 2.510E-21 1.0000\n655.0 2.310E-21 1.0000\n660.0 2.100E-21 1.0000\n665.0 1.900E-21 1.0000\n670.0 1.700E-21 1.0000\n675.0 1.510E-21 1.0000\n680.0 1.370E-21 1.0000\n685.0 1.260E-21 1.0000\n690.0 1.130E-21 1.0000\n695.0 9.890E-22 1.0000\n700.0 8.680E-22 1.0000\n705.0 7.840E-22 1.0000\n710.0 7.310E-22 1.0000\n715.0 6.960E-22 1.0000\n720.0 6.220E-22 1.0000\n725.0 5.430E-22 1.0000\n730.0 4.780E-22 1.0000\n735.0 4.420E-22 1.0000\n740.0 4.320E-22 1.0000\n745.0 4.470E-22 1.0000\n750.0 4.250E-22 1.0000\n755.0 3.380E-22 1.0000\n760.0 2.860E-22 1.0000\n765.0 2.620E-22 1.0000\n770.0 2.600E-22 1.0000\n775.0 2.940E-22 1.0000\n780.0 3.180E-22 1.0000\n785.0 2.620E-22 1.0000\n790.0 2.080E-22 1.0000\n795.0 1.730E-22 1.0000\n800.0 1.570E-22 1.0000\n805.0 1.560E-22 1.0000\n810.0 1.860E-22 1.0000\n815.0 2.210E-22 1.0000\n820.0 2.060E-22 1.0000\n825.0 1.450E-22 1.0000\n830.0 8.400E-23 1.0000\n835.0 2.300E-23 1.0000\n840.0 0.000E+00 1.0000\n\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/O3O3P_NASA94", "content": "O3O3P_NASA94\n! Ozone Photolysis to O3P (O3O3P)\n! O3 + hv -> O2 + O(3P)\n! Taken from NASA (1994); Absorption CS is at 273 K; QY is at 298 K;\n! WMO (1988) data used for wl .ge. 362.5 nm\n! format: wl, abs_cs, qy\nBeginning\n! With FAC, units are (cm^2/molecule)\nFAC=1.0E-20\n 175.439 81.1 0.1\n 176.991 79.9 0.1\n 178.571 78.6 0.1\n 180.180 76.3 0.1\n 181.818 72.9 0.1\n 183.486 68.8 0.1\n 185.185 62.2 0.1\n 186.916 57.6 0.1\n 188.679 52.6 0.1\n 190.476 47.6 0.1\n 192.308 42.8 0.1\n 194.175 38.3 0.1\n 196.078 34.7 0.1\n 198.020 32.3 0.1\n 200.000 31.4 0.1\n 202.020 32.6 0.1\n 204.082 36.4 0.1\n 206.186 43.4 0.1\n 208.333 54.2 0.1\n 210.526 69.9 0.1\n 212.766 92.1 0.1\n 215.054 119.0 0.1\n 217.391 155.0 0.1\n 219.780 199.0 0.1\n 222.222 256.0 0.1\n 224.719 323.0 0.1\n 227.273 400.0 0.1\n 229.885 483.0 0.1\n 232.558 579.0 0.1\n 235.294 686.0 0.1\n 238.095 797.0 0.1\n 240.964 900.0 0.1\n 243.902 1000.0 0.1\n 246.914 1080.0 0.1\n 250.000 1130.0 0.1\n 253.165 1150.0 0.1\n 256.410 1120.0 0.1\n 259.740 1060.0 0.1\n 263.158 965.0 0.1\n 266.667 834.0 0.1\n 270.270 692.0 0.1\n 273.973 542.0 0.1\n 277.778 402.0 0.1\n 281.690 277.0 0.1\n 285.714 179.0 0.1\n 289.855 109.0 0.0517\n 294.118 62.4 0.05\n 298.507 34.3 0.05\n 303.030 18.5 0.07162\n 307.692 9.8 0.48193\n 312.500 5.01 0.93494\n 317.500 2.49 0.99835\n 322.500 1.2 1.0\n 327.500 0.617 1.0\n 332.500 0.274 1.0\n 337.500 0.117 1.0\n 342.500 0.0588 1.0\n 347.500 0.0266 1.0\n 352.500 0.0109 1.0\n 357.500 0.00549 1.0\n 362.500 0.0 1.0\n 367.500 0.0 1.0\n 372.500 0.0 1.0\n 377.500 0.0 1.0\n 382.500 0.0 1.0\n 387.500 0.0 1.0\n 392.500 0.0 1.0\n 397.500 0.0 1.0\n 402.500 0.0 1.0\n 407.500 0.00291 1.0\n 412.500 0.00314 1.0\n 417.500 0.00399 1.0\n 422.500 0.00654 1.0\n 427.500 0.00683 1.0\n 432.500 0.00866 1.0\n 437.500 0.0125 1.0\n 442.500 0.0149 1.0\n 447.500 0.0171 1.0\n 452.500 0.0212 1.0\n 457.500 0.0357 1.0\n 462.500 0.0368 1.0\n 467.500 0.0406 1.0\n 472.500 0.0489 1.0\n 477.500 0.0711 1.0\n 482.500 0.0843 1.0\n 487.500 0.0828 1.0\n 492.500 0.0909 1.0\n 497.500 0.122 1.0\n 502.500 0.162 1.0\n 507.500 0.158 1.0\n 512.500 0.16 1.0\n 517.500 0.178 1.0\n 522.500 0.207 1.0\n 527.500 0.255 1.0\n 532.500 0.274 1.0\n 537.500 0.288 1.0\n 542.500 0.307 1.0\n 547.500 0.317 1.0\n 552.500 0.336 1.0\n 557.500 0.388 1.0\n 562.500 0.431 1.0\n 567.500 0.467 1.0\n 572.500 0.475 1.0\n 577.500 0.455 1.0\n 582.500 0.435 1.0\n 587.500 0.442 1.0\n 592.500 0.461 1.0\n 597.500 0.489 1.0\n 602.500 0.484 1.0\n 607.500 0.454 1.0\n 612.500 0.424 1.0\n 617.500 0.39 1.0\n 622.500 0.36 1.0\n 627.500 0.343 1.0\n 632.500 0.317 1.0\n 637.500 0.274 1.0\n 642.500 0.261 1.0\n 647.500 0.242 1.0\n 652.500 0.22 1.0\n 657.500 0.202 1.0\n 662.500 0.185 1.0\n 667.500 0.167 1.0\n 672.500 0.154 1.0\n 677.500 0.142 1.0\n 682.500 0.125 1.0\n 687.500 0.112 1.0\n 692.500 0.102 1.0\n 697.500 0.092 1.0\n 702.500 0.084 1.0\n 707.500 0.077 1.0\n 712.500 0.069 1.0\n 717.500 0.063 1.0\n 722.500 0.057 1.0\n 727.500 0.0525 1.0\n 732.500 0.0475 1.0\n 737.500 0.0447 1.0\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/O3O3P_RADM88", "content": "O3O3P_RADM88\n! Ozone Photolysis to O3P (O3O3P)\n! O3 + hv -> O2 + O(3P)\n! Taken from the original RADM data\n! format: wl, abs_cs, qy\nBeginning\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n 185.185 6.229E-19 1.000E+00\n 186.916 5.763E-19 1.000E+00\n 188.679 5.259E-19 1.000E+00\n 190.476 4.750E-19 1.000E+00\n 192.308 4.266E-19 1.000E+00\n 194.175 3.819E-19 1.000E+00\n 196.078 3.461E-19 1.000E+00\n 198.020 3.216E-19 1.000E+00\n 200.000 3.139E-19 1.000E+00\n 202.020 3.265E-19 1.000E+00\n 204.082 3.653E-19 1.000E+00\n 206.186 4.368E-19 1.000E+00\n 208.333 5.464E-19 1.000E+00\n 210.526 7.046E-19 1.000E+00\n 212.766 9.201E-19 1.000E+00\n 215.054 1.204E-18 1.000E+00\n 217.391 1.565E-18 1.000E+00\n 219.780 2.003E-18 1.000E+00\n 222.222 2.565E-18 1.000E+00\n 224.719 3.243E-18 1.000E+00\n 227.273 4.039E-18 1.000E+00\n 229.885 4.936E-18 1.000E+00\n 232.558 5.934E-18 1.000E+00\n 235.294 7.006E-18 1.000E+00\n 238.095 8.110E-18 1.000E+00\n 240.964 9.196E-18 1.000E+00\n 243.902 1.018E-17 1.000E+00\n 246.914 1.098E-17 1.000E+00\n 250.000 1.143E-17 1.000E+00\n 253.165 1.164E-17 1.000E+00\n 256.410 1.136E-17 1.000E+00\n 259.740 1.075E-17 1.000E+00\n 263.158 9.430E-18 1.000E+00\n 266.667 8.230E-18 1.000E+00\n 270.270 6.810E-18 1.000E+00\n 273.973 5.310E-18 1.000E+00\n 277.778 3.990E-18 1.000E+00\n 281.690 2.840E-18 1.000E+00\n 285.714 1.920E-18 1.000E+00\n 289.855 1.140E-18 1.000E+00\n 294.118 6.600E-19 1.000E+00\n 298.500 3.850E-19 1.000E+00\n 302.500 2.730E-19 1.000E+00\n 303.500 2.390E-19 1.000E+00\n 304.500 2.080E-19 1.000E+00\n 305.500 1.810E-19 1.000E+00\n 306.500 1.580E-19 1.000E+00\n 307.500 1.380E-19 1.000E+00\n 308.500 1.200E-19 1.000E+00\n 309.500 1.050E-19 1.000E+00\n 310.500 9.200E-20 1.000E+00\n 311.500 8.000E-20 1.000E+00\n 312.500 7.000E-20 1.000E+00\n 313.500 6.100E-20 1.000E+00\n 314.500 4.630E-20 1.000E+00\n 317.500 2.910E-20 1.000E+00\n 322.500 1.500E-20 1.000E+00\n 327.500 7.780E-21 1.000E+00\n 332.500 3.720E-21 1.000E+00\n 337.500 1.710E-21 1.000E+00\n 342.500 7.460E-22 1.000E+00\n 347.500 2.660E-22 1.000E+00\n 352.500 1.090E-22 1.000E+00\n 357.500 5.490E-23 1.000E+00\n 362.500 0.000E+00 1.000E+00\n 367.500 0.000E+00 1.000E+00\n 372.500 0.000E+00 1.000E+00\n 377.500 0.000E+00 1.000E+00\n 382.500 0.000E+00 1.000E+00\n 387.500 0.000E+00 1.000E+00\n 392.500 0.000E+00 1.000E+00\n 397.500 0.000E+00 1.000E+00\n 402.500 0.000E+00 1.000E+00\n 407.500 2.910E-23 1.000E+00\n 412.500 3.140E-23 1.000E+00\n 417.500 3.990E-23 1.000E+00\n 422.500 6.540E-23 1.000E+00\n 427.500 6.830E-23 1.000E+00\n 432.500 8.660E-23 1.000E+00\n 437.500 1.250E-22 1.000E+00\n 442.500 1.490E-22 1.000E+00\n 447.500 1.710E-22 1.000E+00\n 452.500 2.120E-22 1.000E+00\n 457.500 3.570E-22 1.000E+00\n 462.500 3.680E-22 1.000E+00\n 467.500 4.060E-22 1.000E+00\n 472.500 4.890E-22 1.000E+00\n 477.500 7.110E-22 1.000E+00\n 482.500 8.430E-22 1.000E+00\n 487.500 8.280E-22 1.000E+00\n 492.500 9.090E-22 1.000E+00\n 497.500 1.220E-21 1.000E+00\n 502.500 1.620E-21 1.000E+00\n 507.500 1.580E-21 1.000E+00\n 512.500 1.600E-21 1.000E+00\n 517.500 1.780E-21 1.000E+00\n 522.500 2.070E-21 1.000E+00\n 527.500 2.550E-21 1.000E+00\n 532.500 2.740E-21 1.000E+00\n 537.500 2.880E-21 1.000E+00\n 542.500 3.070E-21 1.000E+00\n 547.500 3.170E-21 1.000E+00\n 552.500 3.360E-21 1.000E+00\n 557.500 3.880E-21 1.000E+00\n 562.500 4.310E-21 1.000E+00\n 567.500 4.670E-21 1.000E+00\n 572.500 4.750E-21 1.000E+00\n 577.500 4.550E-21 1.000E+00\n 582.500 4.350E-21 1.000E+00\n 587.500 4.420E-21 1.000E+00\n 592.500 4.610E-21 1.000E+00\n 597.500 4.890E-21 1.000E+00\n 602.500 4.840E-21 1.000E+00\n 607.500 4.540E-21 1.000E+00\n 612.500 4.240E-21 1.000E+00\n 617.500 3.900E-21 1.000E+00\n 622.500 3.600E-21 1.000E+00\n 627.500 3.430E-21 1.000E+00\n 632.500 3.170E-21 1.000E+00\n 637.500 2.740E-21 1.000E+00\n 642.500 2.610E-21 1.000E+00\n 647.100 2.400E-21 1.000E+00\n 655.000 2.070E-21 1.000E+00\n 665.000 1.720E-21 1.000E+00\n 675.000 1.370E-21 1.000E+00\n 685.000 1.110E-21 1.000E+00\n 695.000 9.130E-22 1.000E+00\n 705.000 7.930E-22 1.000E+00\n 715.000 6.400E-22 1.000E+00\n 725.000 5.140E-22 1.000E+00\n 735.000 0.000E+00 1.000E+00\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/O3O3P_SAPRC99", "content": "O3O3P\n! O3 + HV = O1D + O2\n! SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\n! Created from PhotDat.xls on 29-Jan-2000 10:07\n! Absorption cross sections from NASA (1999), using wavelength which is cente\n! r of intervals shown.\n! Quantum yields derived from O3->O1D quantum yields assuming total quantum y\n! ield is 1, though this is not adequately discussed in the evaluations.\n! Values given are interpolated for each 1 nm interval.\nPoints (the mechanism was evaluated assuming this format)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n280.0 3.936E-18 0.095\n281.0 3.621E-18 0.093\n282.0 3.306E-18 0.090\n283.0 2.991E-18 0.088\n284.0 2.698E-18 0.086\n285.0 2.458E-18 0.084\n286.0 2.218E-18 0.082\n287.0 1.978E-18 0.079\n288.0 1.754E-18 0.077\n289.0 1.588E-18 0.075\n290.0 1.421E-18 0.073\n291.0 1.254E-18 0.070\n292.0 1.089E-18 0.068\n293.0 9.808E-19 0.066\n294.0 8.731E-19 0.064\n295.0 7.654E-19 0.061\n296.0 6.577E-19 0.059\n297.0 5.806E-19 0.057\n298.0 5.176E-19 0.055\n299.0 4.545E-19 0.052\n300.0 3.915E-19 0.050\n301.0 3.350E-19 0.035\n302.0 3.006E-19 0.025\n303.0 2.662E-19 0.015\n304.0 2.318E-19 0.010\n305.0 1.974E-19 0.020\n306.0 1.733E-19 0.050\n307.0 1.549E-19 0.123\n308.0 1.365E-19 0.227\n309.0 1.181E-19 0.333\n310.0 9.976E-20 0.400\n311.0 8.917E-20 0.612\n312.0 7.940E-20 0.697\n313.0 6.964E-20 0.738\n314.0 5.987E-20 0.762\n315.0 5.010E-20 0.765\n316.0 4.506E-20 0.779\n317.0 4.002E-20 0.791\n318.0 3.498E-20 0.806\n319.0 2.994E-20 0.822\n320.0 2.490E-20 0.852\n321.0 2.232E-20 0.879\n322.0 1.974E-20 0.903\n323.0 1.716E-20 0.908\n324.0 1.458E-20 0.920\n325.0 1.200E-20 0.930\n326.0 1.083E-20 0.934\n327.0 9.668E-21 0.938\n328.0 8.502E-21 0.942\n329.0 7.336E-21 0.946\n330.0 6.170E-21 0.950\n331.0 5.484E-21 0.950\n332.0 4.798E-21 0.950\n333.0 4.112E-21 0.950\n334.0 3.426E-21 0.950\n335.0 2.740E-21 0.950\n336.0 2.426E-21 0.960\n337.0 2.112E-21 0.970\n338.0 1.798E-21 0.980\n339.0 1.484E-21 0.990\n340.0 1.170E-21 1.000\n350.0 0.000E+00 1.000\n400.0 0.000E+00 1.000\n410.0 1.200E-23 1.000\n420.0 2.200E-23 1.000\n440.0 1.120E-22 1.000\n460.0 3.280E-22 1.000\n480.0 6.840E-22 1.000\n500.0 1.220E-21 1.000\n520.0 1.820E-21 1.000\n540.0 2.910E-21 1.000\n560.0 3.940E-21 1.000\n580.0 4.590E-21 1.000\n600.0 5.110E-21 1.000\n620.0 4.000E-21 1.000\n640.0 2.960E-21 1.000\n660.0 2.090E-21 1.000\n680.0 1.360E-21 1.000\n700.0 9.100E-22 1.000\n750.0 3.200E-22 1.000\n800.0 1.600E-22 1.000\n900.0 0.000E+00 1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/O3_O1D_IUPAC04", "content": "O3_O1D_IUPAC04\n! O3 + HV = O(1D) + O2\n! From IUPAC Subcommittee on Gas Kinetic Data Evaluation\n! Data Sheet POx2, updated 2nd October 2001 \n! Website: http://www.iupac-kinetic.ch.cam.ac.uk/\n! B. Hutzell: Mar 20, 2017\n! values below 280 nm from JPL2011 \nPoints (These data can be treated as point values)\n! Sigma values for wavelength intervals 280-370 nm assigned to a 1 nm grid.! Quantum yields interpolated to match sigma grid! Greg Yarwood, January 2005\nFAC=1.0\n121.6 2.990E-17 0.900\n186.1 6.220E-19 0.900\n187.8 5.760E-19 0.900\n189.6 5.260E-19 0.900\n191.4 4.770E-19 0.900\n193.2 4.290E-19 0.900\n195.1 3.850E-19 0.900\n197.0 3.490E-19 0.900\n199.0 3.240E-19 0.900\n201.0 3.150E-19 0.900\n203.1 3.260E-19 0.900\n205.1 3.630E-19 0.900\n207.3 4.330E-19 0.900\n209.4 5.390E-19 0.900\n211.6 6.930E-19 0.900\n213.9 9.030E-19 0.900\n216.2 1.180E-18 0.900\n218.6 1.540E-18 0.900\n221.0 1.990E-18 0.900\n223.5 2.550E-18 0.900\n226.0 3.220E-18 0.900\n228.6 4.010E-18 0.900\n231.2 4.900E-18 0.900\n233.9 5.900E-18 0.900\n236.7 6.930E-18 0.900\n239.5 8.020E-18 0.900\n242.4 9.080E-18 0.900\n245.4 1.000E-17 0.900\n248.5 1.080E-17 0.900\n251.6 1.130E-17 0.900\n254.8 1.150E-17 0.900\n258.1 1.120E-17 0.900\n261.4 1.060E-17 0.900\n264.9 9.680E-18 0.900\n268.5 8.400E-18 0.900\n272.1 6.980E-18 0.900\n275.9 5.470E-18 0.900\n279.7 4.060E-18 0.900\n280.00 4.0200E-18 9.0000E-01\n281.00 4.0200E-18 9.0000E-01\n282.00 3.0200E-18 9.0000E-01\n283.00 2.7700E-18 9.0000E-01\n284.00 2.7700E-18 9.0000E-01\n285.00 2.7700E-18 9.0000E-01\n286.00 1.9860E-18 9.0000E-01\n287.00 1.7900E-18 9.0000E-01\n288.00 1.7900E-18 9.0000E-01\n289.00 1.7900E-18 9.0000E-01\n290.00 1.3700E-18 9.0000E-01\n291.00 1.0900E-18 9.0000E-01\n292.00 1.0900E-18 9.0000E-01\n293.00 1.0900E-18 9.0000E-01\n294.00 9.0359E-19 9.0000E-01\n295.00 6.2400E-19 9.0000E-01\n296.00 6.2400E-19 9.0000E-01\n297.00 6.2400E-19 9.0000E-01\n298.00 6.2400E-19 9.0000E-01\n299.00 3.4300E-19 9.0000E-01\n300.00 3.4300E-19 9.0000E-01\n301.00 3.4300E-19 9.0000E-01\n302.00 3.4300E-19 9.0000E-01\n303.00 2.6400E-19 9.0000E-01\n304.00 1.8500E-19 9.0000E-01\n305.00 1.8500E-19 9.0000E-01\n306.00 1.8500E-19 8.8400E-01\n307.00 1.8500E-19 8.6200E-01\n308.00 1.1540E-19 7.9300E-01\n309.00 9.8000E-20 6.7100E-01\n310.00 9.8000E-20 5.2300E-01\n311.00 9.8000E-20 3.9400E-01\n312.00 9.8000E-20 3.1000E-01\n313.00 5.0000E-20 2.6500E-01\n314.00 5.0000E-20 2.4600E-01\n315.00 5.0000E-20 2.3900E-01\n316.00 5.0000E-20 2.3300E-01\n317.00 5.0000E-20 2.2200E-01\n318.00 2.4900E-20 2.0600E-01\n319.00 2.4900E-20 1.8700E-01\n320.00 2.4900E-20 1.6600E-01\n321.00 2.4900E-20 1.4600E-01\n322.00 2.4900E-20 1.2800E-01\n323.00 1.2000E-20 1.1300E-01\n324.00 1.2000E-20 1.0100E-01\n325.00 1.2000E-20 9.2000E-02\n326.00 1.2000E-20 8.6000E-02\n327.00 1.2000E-20 8.2000E-02\n328.00 6.1700E-21 8.0000E-02\n329.00 6.1700E-21 8.0000E-02\n330.00 6.1700E-21 8.0000E-02\n331.00 6.1700E-21 8.0000E-02\n332.00 6.1700E-21 8.0000E-02\n333.00 2.7400E-21 8.0000E-02\n334.00 2.7400E-21 8.0000E-02\n335.00 2.7400E-21 8.0000E-02\n336.00 2.7400E-21 8.0000E-02\n337.00 2.7400E-21 8.0000E-02\n338.00 1.1700E-21 8.0000E-02\n339.00 1.1700E-21 8.0000E-02\n340.00 1.1700E-21 8.0000E-02\n341.00 1.1700E-21 8.0000E-02\n342.00 1.1700E-21 8.0000E-02\n343.00 5.9000E-22 8.0000E-02\n344.00 5.9000E-22 8.0000E-02\n345.00 5.9000E-22 8.0000E-02\n346.00 5.9000E-22 8.0000E-02\n347.00 5.9000E-22 8.0000E-02\n348.00 2.7000E-22 8.0000E-02\n349.00 2.7000E-22 8.0000E-02\n350.00 2.7000E-22 8.0000E-02\n351.00 2.7000E-22 8.0000E-02\n352.00 2.7000E-22 8.0000E-02\n353.00 1.1000E-22 8.0000E-02\n354.00 1.1000E-22 8.0000E-02\n355.00 1.1000E-22 8.0000E-02\n356.00 1.1000E-22 8.0000E-02\n357.00 1.1000E-22 8.0000E-02\n358.00 5.0000E-23 8.0000E-02\n359.00 5.0000E-23 8.0000E-02\n360.00 5.0000E-23 8.0000E-02\n361.00 5.0000E-23 8.0000E-02\n362.00 5.0000E-23 8.0000E-02\n363.00 0.0000E+00 8.0000E-02\n400.00 0.0000E+00 0.0000E+00\n401.00 1.2000E-24 0.0000E+00\n402.00 2.4000E-24 0.0000E+00\n403.00 3.6000E-24 0.0000E+00\n404.00 4.8000E-24 0.0000E+00\n405.00 6.0000E-24 0.0000E+00\n406.00 7.2000E-24 0.0000E+00\n407.00 8.4000E-24 0.0000E+00\n408.00 9.6000E-24 0.0000E+00\n409.00 1.0800E-23 0.0000E+00\n410.00 1.2000E-23 0.0000E+00\n411.00 1.3000E-23 0.0000E+00\n412.00 1.4000E-23 0.0000E+00\n413.00 1.5000E-23 0.0000E+00\n414.00 1.6000E-23 0.0000E+00\n415.00 1.7000E-23 0.0000E+00\n416.00 1.8000E-23 0.0000E+00\n417.00 1.9000E-23 0.0000E+00\n418.00 2.0000E-23 0.0000E+00\n419.00 2.1000E-23 0.0000E+00\n420.00 2.2000E-23 0.0000E+00\n421.00 2.6500E-23 0.0000E+00\n422.00 3.1000E-23 0.0000E+00\n423.00 3.5500E-23 0.0000E+00\n424.00 4.0000E-23 0.0000E+00\n425.00 4.4500E-23 0.0000E+00\n426.00 4.9000E-23 0.0000E+00\n427.00 5.3500E-23 0.0000E+00\n428.00 5.8000E-23 0.0000E+00\n429.00 6.2500E-23 0.0000E+00\n430.00 6.7000E-23 0.0000E+00\n431.00 7.1500E-23 0.0000E+00\n432.00 7.6000E-23 0.0000E+00\n433.00 8.0500E-23 0.0000E+00\n434.00 8.5000E-23 0.0000E+00\n435.00 8.9500E-23 0.0000E+00\n436.00 9.4000E-23 0.0000E+00\n437.00 9.8500E-23 0.0000E+00\n438.00 1.0300E-22 0.0000E+00\n439.00 1.0750E-22 0.0000E+00\n440.00 1.1200E-22 0.0000E+00\n450.00 2.2000E-22 0.0000E+00\n460.00 3.2800E-22 0.0000E+00\n470.00 5.0600E-22 0.0000E+00\n480.00 6.8400E-22 0.0000E+00\n490.00 9.5200E-22 0.0000E+00\n500.00 1.2200E-21 0.0000E+00\n510.00 1.5200E-21 0.0000E+00\n520.00 1.8200E-21 0.0000E+00\n530.00 2.3650E-21 0.0000E+00\n540.00 2.9100E-21 0.0000E+00\n550.00 3.4250E-21 0.0000E+00\n560.00 3.9400E-21 0.0000E+00\n570.00 4.2650E-21 0.0000E+00\n580.00 4.5900E-21 0.0000E+00\n590.00 4.8500E-21 0.0000E+00\n600.00 5.1100E-21 0.0000E+00\n610.00 4.5550E-21 0.0000E+00\n620.00 4.0000E-21 0.0000E+00\n630.00 3.4800E-21 0.0000E+00\n640.00 2.9600E-21 0.0000E+00\n650.00 2.5250E-21 0.0000E+00\n660.00 2.0900E-21 0.0000E+00\n670.00 1.7250E-21 0.0000E+00\n680.00 1.3600E-21 0.0000E+00\n690.00 1.1350E-21 0.0000E+00\n700.00 9.1000E-22 0.0000E+00\n710.00 0.0000E-00 0.0000E+00\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/O3_O1D_IUPAC10", "content": "O3_O1D_IUPAC10\n! j(O3_O1D) IUPAC(2010) \n! O3 = O1D \n! From IUPAC Subcommittee on Gas Kinetic Data Evaluation\n! Data Sheet POx2, updated 2nd October, 2001 \n! values below 280 nm from JPL2011 \n! These are point values \nBegining (the mechanism evaluated with this format)\n!WL(nm) XSEC(cm2) QY\nFAC=1.0\n121.6 2.990E-17 0.900\n186.1 6.220E-19 0.900\n187.8 5.760E-19 0.900\n189.6 5.260E-19 0.900\n191.4 4.770E-19 0.900\n193.2 4.290E-19 0.900\n195.1 3.850E-19 0.900\n197.0 3.490E-19 0.900\n199.0 3.240E-19 0.900\n201.0 3.150E-19 0.900\n203.1 3.260E-19 0.900\n205.1 3.630E-19 0.900\n207.3 4.330E-19 0.900\n209.4 5.390E-19 0.900\n211.6 6.930E-19 0.900\n213.9 9.030E-19 0.900\n216.2 1.180E-18 0.900\n218.6 1.540E-18 0.900\n221.0 1.990E-18 0.900\n223.5 2.550E-18 0.900\n226.0 3.220E-18 0.900\n228.6 4.010E-18 0.900\n231.2 4.900E-18 0.900\n233.9 5.900E-18 0.900\n236.7 6.930E-18 0.900\n239.5 8.020E-18 0.900\n242.4 9.080E-18 0.900\n245.4 1.000E-17 0.900\n248.5 1.080E-17 0.900\n251.6 1.130E-17 0.900\n254.8 1.150E-17 0.900\n258.1 1.120E-17 0.900\n261.4 1.060E-17 0.900\n264.9 9.680E-18 0.900\n268.5 8.400E-18 0.900\n272.1 6.980E-18 0.900\n275.9 5.470E-18 0.900\n279.7 4.060E-18 0.900\n280.0 4.020E-18 0.900\n281.0 4.020E-18 0.900\n282.0 2.770E-18 0.900\n283.0 2.770E-18 0.900\n284.0 2.770E-18 0.900\n285.0 2.770E-18 0.900\n286.0 1.790E-18 0.900\n287.0 1.790E-18 0.900\n288.0 1.790E-18 0.900\n289.0 1.790E-18 0.900\n290.0 1.090E-18 0.900\n291.0 1.090E-18 0.900\n292.0 1.090E-18 0.900\n293.0 1.090E-18 0.900\n294.0 1.090E-18 0.900\n295.0 6.240E-19 0.900\n296.0 6.240E-19 0.900\n297.0 6.240E-19 0.900\n298.0 6.240E-19 0.900\n299.0 3.430E-19 0.900\n300.0 3.430E-19 0.900\n301.0 3.430E-19 0.900\n302.0 3.430E-19 0.900\n303.0 1.850E-19 0.900\n304.0 1.850E-19 0.900\n305.0 1.850E-19 0.900\n306.0 1.850E-19 0.884\n307.0 1.850E-19 0.862\n308.0 9.800E-20 0.793\n309.0 9.800E-20 0.671\n310.0 9.800E-20 0.523\n311.0 9.800E-20 0.394\n312.0 9.800E-20 0.310\n313.0 5.000E-20 0.265\n314.0 5.000E-20 0.246\n315.0 5.000E-20 0.239\n316.0 5.000E-20 0.233\n317.0 5.000E-20 0.222\n318.0 2.490E-20 0.206\n319.0 2.490E-20 0.187\n320.0 2.490E-20 0.166\n321.0 2.490E-20 0.146\n322.0 2.490E-20 0.128\n323.0 1.200E-20 0.113\n324.0 1.200E-20 0.101\n325.0 1.200E-20 0.092\n326.0 1.200E-20 0.086\n327.0 1.200E-20 0.082\n328.0 6.170E-21 0.080\n329.0 6.170E-21 0.080\n330.0 6.170E-21 0.080\n331.0 6.170E-21 0.080\n332.0 6.170E-21 0.080\n333.0 2.740E-21 0.080\n334.0 2.740E-21 0.080\n335.0 2.740E-21 0.080\n336.0 2.740E-21 0.080\n337.0 2.740E-21 0.080\n338.0 1.170E-21 0.080\n339.0 1.170E-21 0.080\n340.0 1.170E-21 0.080\n341.0 1.170E-21 0.080\n342.0 1.170E-21 0.080\n343.0 5.900E-22 0.080\n344.0 5.900E-22 0.080\n345.0 5.900E-22 0.080\n346.0 5.900E-22 0.080\n347.0 5.900E-22 0.080\n348.0 2.700E-22 0.080\n349.0 2.700E-22 0.080\n350.0 2.700E-22 0.080\n351.0 2.700E-22 0.080\n352.0 2.700E-22 0.080\n353.0 1.100E-22 0.080\n354.0 1.100E-22 0.080\n355.0 1.100E-22 0.080\n356.0 1.100E-22 0.080\n357.0 1.100E-22 0.080\n358.0 5.000E-23 0.080\n359.0 5.000E-23 0.080\n360.0 5.000E-23 0.080\n361.0 5.000E-23 0.080\n362.0 5.000E-23 0.080\n363.0 5.000E-23 0.080\n364.0 5.000E-23 0.080\n365.0 5.000E-23 0.080\n366.0 0.000E+00 0.000\n409.0 0.000E+00 0.000\n410.0 1.200E-23 0.000\n420.0 2.200E-23 0.000\n440.0 1.120E-22 0.000\n460.0 3.280E-22 0.000\n480.0 6.840E-22 0.000\n500.0 1.220E-21 0.000\n520.0 1.820E-21 0.000\n540.0 2.910E-21 0.000\n560.0 3.940E-21 0.000\n580.0 4.590E-21 0.000\n600.0 5.110E-21 0.000\n620.0 4.000E-21 0.000\n640.0 2.960E-21 0.000\n660.0 2.090E-21 0.000\n680.0 1.360E-21 0.000\n700.0 9.100E-22 0.000\n701.0 0.000E+00 0.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/O3_O3P_IUPAC04", "content": "O3_O3P_IUPAC04\n!O3 + HV = O(3P) + O2\n! From IUPAC Subcommittee on Gas Kinetic Data Evaluation\n! Data Sheet POx2, updated 2nd October 2001\n! Website: http://www.iupac-kinetic.ch.cam.ac.uk/\n! B. Hutzell: Mar 20, 2017\n! values below 280 nm from JPL2011 \nPoints ( These data can be treated as point values)\n! Sigma values for wavelength intervals 280-370 nm assigned to a 1 nm grid. ! Sigma values for wavelengths 400-700 nm interpolated to a hybrid 1 nm and 10 nm grid. ! Quantum yields interpolated to match sigma grids - Greg Yarwood, January 2005\nFAC=1.0\n121.6 2.990E-17 0.100\n186.1 6.220E-19 0.100\n187.8 5.760E-19 0.100\n189.6 5.260E-19 0.100\n191.4 4.770E-19 0.100\n193.2 4.290E-19 0.100\n195.1 3.850E-19 0.100\n197.0 3.490E-19 0.100\n199.0 3.240E-19 0.100\n201.0 3.150E-19 0.100\n203.1 3.260E-19 0.100\n205.1 3.630E-19 0.100\n207.3 4.330E-19 0.100\n209.4 5.390E-19 0.100\n211.6 6.930E-19 0.100\n213.9 9.030E-19 0.100\n216.2 1.180E-18 0.100\n218.6 1.540E-18 0.100\n221.0 1.990E-18 0.100\n223.5 2.550E-18 0.100\n226.0 3.220E-18 0.100\n228.6 4.010E-18 0.100\n231.2 4.900E-18 0.100\n233.9 5.900E-18 0.100\n236.7 6.930E-18 0.100\n239.5 8.020E-18 0.100\n242.4 9.080E-18 0.100\n245.4 1.000E-17 0.100\n248.5 1.080E-17 0.100\n251.6 1.130E-17 0.100\n254.8 1.150E-17 0.100\n258.1 1.120E-17 0.100\n261.4 1.060E-17 0.100\n264.9 9.680E-18 0.100\n268.5 8.400E-18 0.100\n272.1 6.980E-18 0.100\n275.9 5.470E-18 0.100\n279.7 4.060E-18 0.100\n280.00 4.0200E-18 1.0000E-01\n281.00 4.0200E-18 1.0000E-01\n282.00 3.0200E-18 1.0000E-01\n283.00 2.7700E-18 1.0000E-01\n284.00 2.7700E-18 1.0000E-01\n285.00 2.7700E-18 1.0000E-01\n286.00 1.9860E-18 1.0000E-01\n287.00 1.7900E-18 1.0000E-01\n288.00 1.7900E-18 1.0000E-01\n289.00 1.7900E-18 1.0000E-01\n290.00 1.3700E-18 1.0000E-01\n291.00 1.0900E-18 1.0000E-01\n292.00 1.0900E-18 1.0000E-01\n293.00 1.0900E-18 1.0000E-01\n294.00 9.0359E-19 1.0000E-01\n295.00 6.2400E-19 1.0000E-01\n296.00 6.2400E-19 1.0000E-01\n297.00 6.2400E-19 1.0000E-01\n298.00 6.2400E-19 1.0000E-01\n299.00 3.4300E-19 1.0000E-01\n300.00 3.4300E-19 1.0000E-01\n301.00 3.4300E-19 1.0000E-01\n302.00 3.4300E-19 1.0000E-01\n303.00 2.6400E-19 1.0000E-01\n304.00 1.8500E-19 1.0000E-01\n305.00 1.8500E-19 1.0000E-01\n306.00 1.8500E-19 1.1600E-01\n307.00 1.8500E-19 1.3800E-01\n308.00 1.1540E-19 2.0700E-01\n309.00 9.8000E-20 3.2900E-01\n310.00 9.8000E-20 4.7700E-01\n311.00 9.8000E-20 6.0600E-01\n312.00 9.8000E-20 6.9000E-01\n313.00 5.0000E-20 7.3500E-01\n314.00 5.0000E-20 7.5400E-01\n315.00 5.0000E-20 7.6100E-01\n316.00 5.0000E-20 7.6700E-01\n317.00 5.0000E-20 7.7800E-01\n318.00 2.4900E-20 7.9400E-01\n319.00 2.4900E-20 8.1300E-01\n320.00 2.4900E-20 8.3400E-01\n321.00 2.4900E-20 8.5400E-01\n322.00 2.4900E-20 8.7200E-01\n323.00 1.2000E-20 8.8700E-01\n324.00 1.2000E-20 8.9900E-01\n325.00 1.2000E-20 9.0800E-01\n326.00 1.2000E-20 9.1400E-01\n327.00 1.2000E-20 9.1800E-01\n328.00 6.1700E-21 9.2000E-01\n329.00 6.1700E-21 9.2000E-01\n330.00 6.1700E-21 9.2000E-01\n331.00 6.1700E-21 9.2000E-01\n332.00 6.1700E-21 9.2000E-01\n333.00 2.7400E-21 9.2000E-01\n334.00 2.7400E-21 9.2000E-01\n335.00 2.7400E-21 9.2000E-01\n336.00 2.7400E-21 9.2000E-01\n337.00 2.7400E-21 9.2000E-01\n338.00 1.1700E-21 9.2000E-01\n339.00 1.1700E-21 9.2000E-01\n340.00 1.1700E-21 9.2000E-01\n341.00 1.1700E-21 9.2000E-01\n342.00 1.1700E-21 9.2000E-01\n343.00 5.9000E-22 9.2000E-01\n344.00 5.9000E-22 9.2000E-01\n345.00 5.9000E-22 9.2000E-01\n346.00 5.9000E-22 9.2000E-01\n347.00 5.9000E-22 9.2000E-01\n348.00 2.7000E-22 9.2000E-01\n349.00 2.7000E-22 9.2000E-01\n350.00 2.7000E-22 9.2000E-01\n351.00 2.7000E-22 9.2000E-01\n352.00 2.7000E-22 9.2000E-01\n353.00 1.1000E-22 9.2000E-01\n354.00 1.1000E-22 9.2000E-01\n355.00 1.1000E-22 9.2000E-01\n356.00 1.1000E-22 9.2000E-01\n357.00 1.1000E-22 9.2000E-01\n358.00 5.0000E-23 9.2000E-01\n359.00 5.0000E-23 9.2000E-01\n360.00 5.0000E-23 9.2000E-01\n361.00 5.0000E-23 9.2000E-01\n362.00 5.0000E-23 9.2000E-01\n363.00 0.0000E+00 9.2000E-01\n400.00 0.0000E+00 1.0000E+00\n401.00 1.2000E-24 1.0000E+00\n402.00 2.4000E-24 1.0000E+00\n403.00 3.6000E-24 1.0000E+00\n404.00 4.8000E-24 1.0000E+00\n405.00 6.0000E-24 1.0000E+00\n406.00 7.2000E-24 1.0000E+00\n407.00 8.4000E-24 1.0000E+00\n408.00 9.6000E-24 1.0000E+00\n409.00 1.0800E-23 1.0000E+00\n410.00 1.2000E-23 1.0000E+00\n411.00 1.3000E-23 1.0000E+00\n412.00 1.4000E-23 1.0000E+00\n413.00 1.5000E-23 1.0000E+00\n414.00 1.6000E-23 1.0000E+00\n415.00 1.7000E-23 1.0000E+00\n416.00 1.8000E-23 1.0000E+00\n417.00 1.9000E-23 1.0000E+00\n418.00 2.0000E-23 1.0000E+00\n419.00 2.1000E-23 1.0000E+00\n420.00 2.2000E-23 1.0000E+00\n421.00 2.6500E-23 1.0000E+00\n422.00 3.1000E-23 1.0000E+00\n423.00 3.5500E-23 1.0000E+00\n424.00 4.0000E-23 1.0000E+00\n425.00 4.4500E-23 1.0000E+00\n426.00 4.9000E-23 1.0000E+00\n427.00 5.3500E-23 1.0000E+00\n428.00 5.8000E-23 1.0000E+00\n429.00 6.2500E-23 1.0000E+00\n430.00 6.7000E-23 1.0000E+00\n431.00 7.1500E-23 1.0000E+00\n432.00 7.6000E-23 1.0000E+00\n433.00 8.0500E-23 1.0000E+00\n434.00 8.5000E-23 1.0000E+00\n435.00 8.9500E-23 1.0000E+00\n436.00 9.4000E-23 1.0000E+00\n437.00 9.8500E-23 1.0000E+00\n438.00 1.0300E-22 1.0000E+00\n439.00 1.0750E-22 1.0000E+00\n440.00 1.1200E-22 1.0000E+00\n450.00 2.2000E-22 1.0000E+00\n460.00 3.2800E-22 1.0000E+00\n470.00 5.0600E-22 1.0000E+00\n480.00 6.8400E-22 1.0000E+00\n490.00 9.5200E-22 1.0000E+00\n500.00 1.2200E-21 1.0000E+00\n510.00 1.5200E-21 1.0000E+00\n520.00 1.8200E-21 1.0000E+00\n530.00 2.3650E-21 1.0000E+00\n540.00 2.9100E-21 1.0000E+00\n550.00 3.4250E-21 1.0000E+00\n560.00 3.9400E-21 1.0000E+00\n570.00 4.2650E-21 1.0000E+00\n580.00 4.5900E-21 1.0000E+00\n590.00 4.8500E-21 1.0000E+00\n600.00 5.1100E-21 1.0000E+00\n610.00 4.5550E-21 1.0000E+00\n620.00 4.0000E-21 1.0000E+00\n630.00 3.4800E-21 1.0000E+00\n640.00 2.9600E-21 1.0000E+00\n650.00 2.5250E-21 1.0000E+00\n660.00 2.0900E-21 1.0000E+00\n670.00 1.7250E-21 1.0000E+00\n680.00 1.3600E-21 1.0000E+00\n690.00 1.1350E-21 1.0000E+00\n700.00 9.1000E-22 1.0000E+00\n710.00 0.0000E-00 1.0000E+00\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/O3_O3P_IUPAC10", "content": "O3_O3P_IUPAC10\n! j(O3_O3P) IUPAC(2010) \n! O3 = O \n! From IUPAC Subcommittee on Gas Kinetic Data Evaluation\n! Data Sheet POx2, updated 2nd October, 2001 \n! These are point values\n! values below 280 nm from JPL2011 \nBegining (the mechanism evaluated with this format)\n!WL(nm) XSEC(cm2) QY\nFAC=1.0\n121.6 2.990E-17 0.100\n186.1 6.220E-19 0.100\n187.8 5.760E-19 0.100\n189.6 5.260E-19 0.100\n191.4 4.770E-19 0.100\n193.2 4.290E-19 0.100\n195.1 3.850E-19 0.100\n197.0 3.490E-19 0.100\n199.0 3.240E-19 0.100\n201.0 3.150E-19 0.100\n203.1 3.260E-19 0.100\n205.1 3.630E-19 0.100\n207.3 4.330E-19 0.100\n209.4 5.390E-19 0.100\n211.6 6.930E-19 0.100\n213.9 9.030E-19 0.100\n216.2 1.180E-18 0.100\n218.6 1.540E-18 0.100\n221.0 1.990E-18 0.100\n223.5 2.550E-18 0.100\n226.0 3.220E-18 0.100\n228.6 4.010E-18 0.100\n231.2 4.900E-18 0.100\n233.9 5.900E-18 0.100\n236.7 6.930E-18 0.100\n239.5 8.020E-18 0.100\n242.4 9.080E-18 0.100\n245.4 1.000E-17 0.100\n248.5 1.080E-17 0.100\n251.6 1.130E-17 0.100\n254.8 1.150E-17 0.100\n258.1 1.120E-17 0.100\n261.4 1.060E-17 0.100\n264.9 9.680E-18 0.100\n268.5 8.400E-18 0.100\n272.1 6.980E-18 0.100\n275.9 5.470E-18 0.100\n279.7 4.060E-18 0.100\n280.0 4.020E-18 0.100\n281.0 4.020E-18 0.100\n282.0 2.770E-18 0.100\n283.0 2.770E-18 0.100\n284.0 2.770E-18 0.100\n285.0 2.770E-18 0.100\n286.0 1.790E-18 0.100\n287.0 1.790E-18 0.100\n288.0 1.790E-18 0.100\n289.0 1.790E-18 0.100\n290.0 1.090E-18 0.100\n291.0 1.090E-18 0.100\n292.0 1.090E-18 0.100\n293.0 1.090E-18 0.100\n294.0 1.090E-18 0.100\n295.0 6.240E-19 0.100\n296.0 6.240E-19 0.100\n297.0 6.240E-19 0.100\n298.0 6.240E-19 0.100\n299.0 3.430E-19 0.100\n300.0 3.430E-19 0.100\n301.0 3.430E-19 0.100\n302.0 3.430E-19 0.100\n303.0 1.850E-19 0.100\n304.0 1.850E-19 0.100\n305.0 1.850E-19 0.100\n306.0 1.850E-19 0.116\n307.0 1.850E-19 0.138\n308.0 9.800E-20 0.207\n309.0 9.800E-20 0.329\n310.0 9.800E-20 0.477\n311.0 9.800E-20 0.606\n312.0 9.800E-20 0.690\n313.0 5.000E-20 0.735\n314.0 5.000E-20 0.754\n315.0 5.000E-20 0.761\n316.0 5.000E-20 0.767\n317.0 5.000E-20 0.778\n318.0 2.490E-20 0.794\n319.0 2.490E-20 0.813\n320.0 2.490E-20 0.834\n321.0 2.490E-20 0.854\n322.0 2.490E-20 0.872\n323.0 1.200E-20 0.887\n324.0 1.200E-20 0.899\n325.0 1.200E-20 0.908\n326.0 1.200E-20 0.914\n327.0 1.200E-20 0.918\n328.0 6.170E-21 0.920\n329.0 6.170E-21 0.920\n330.0 6.170E-21 0.920\n331.0 6.170E-21 0.920\n332.0 6.170E-21 0.920\n333.0 2.740E-21 0.920\n334.0 2.740E-21 0.920\n335.0 2.740E-21 0.920\n336.0 2.740E-21 0.920\n337.0 2.740E-21 0.920\n338.0 1.170E-21 0.920\n339.0 1.170E-21 0.920\n340.0 1.170E-21 0.920\n341.0 1.170E-21 0.920\n342.0 1.170E-21 0.920\n343.0 5.900E-22 0.920\n344.0 5.900E-22 0.920\n345.0 5.900E-22 0.920\n346.0 5.900E-22 0.920\n347.0 5.900E-22 0.920\n348.0 2.700E-22 0.920\n349.0 2.700E-22 0.920\n350.0 2.700E-22 0.920\n351.0 2.700E-22 0.920\n352.0 2.700E-22 0.920\n353.0 1.100E-22 0.920\n354.0 1.100E-22 0.920\n355.0 1.100E-22 0.920\n356.0 1.100E-22 0.920\n357.0 1.100E-22 0.920\n358.0 5.000E-23 0.920\n359.0 5.000E-23 0.920\n360.0 5.000E-23 0.920\n361.0 5.000E-23 0.920\n362.0 5.000E-23 0.920\n363.0 5.000E-23 0.920\n364.0 5.000E-23 0.920\n365.0 5.000E-23 0.920\n366.0 0.000E+00 1.000\n409.0 0.000E+00 1.000\n410.0 1.200E-23 1.000\n420.0 2.200E-23 1.000\n440.0 1.120E-22 1.000\n460.0 3.280E-22 1.000\n480.0 6.840E-22 1.000\n500.0 1.220E-21 1.000\n520.0 1.820E-21 1.000\n540.0 2.910E-21 1.000\n560.0 3.940E-21 1.000\n580.0 4.590E-21 1.000\n600.0 5.110E-21 1.000\n620.0 4.000E-21 1.000\n640.0 2.960E-21 1.000\n660.0 2.090E-21 1.000\n680.0 1.360E-21 1.000\n700.0 9.100E-22 1.000\n701.0 0.000E+00 1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/OIO_06", "content": "OIO_06\n! OIO + HV = I + O2\n! OIO Photolysis data\n! Supplied by Golam Sarwar \n! Created from NASA/JPL dataset\nPoints (these data can be treated as point values)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n516.0 8.330E-18 1.000\n517.0 6.960E-18 1.000\n518.0 5.650E-18 1.000\n519.0 5.990E-18 1.000\n520.0 7.190E-18 1.000\n521.0 6.260E-18 1.000\n522.0 5.730E-18 1.000\n523.0 5.170E-18 1.000\n524.0 4.960E-18 1.000\n525.0 5.340E-18 1.000\n526.0 7.540E-18 1.000\n527.0 8.400E-18 1.000\n528.0 6.970E-18 1.000\n529.0 6.260E-18 1.000\n530.0 6.510E-18 1.000\n531.0 9.890E-18 1.000\n532.0 1.012E-17 1.000\n533.0 7.790E-18 1.000\n534.0 6.360E-18 1.000\n535.0 5.190E-18 1.000\n536.0 6.430E-18 1.000\n537.0 7.090E-18 1.000\n538.0 6.480E-18 1.000\n539.0 5.480E-18 1.000\n540.0 4.700E-18 1.000\n541.0 4.510E-18 1.000\n542.0 4.940E-18 1.000\n543.0 7.150E-18 1.000\n544.0 8.170E-18 1.000\n545.0 6.760E-18 1.000\n546.0 5.820E-18 1.000\n547.0 5.130E-18 1.000\n548.0 6.650E-18 1.000\n549.0 1.030E-17 1.000\n550.0 8.420E-18 1.000\n551.0 5.750E-18 1.000\n552.0 4.290E-18 1.000\n553.0 3.770E-18 1.000\n554.0 6.090E-18 1.000\n555.0 6.610E-18 1.000\n556.0 6.040E-18 1.000\n557.0 4.740E-18 1.000\n558.0 3.930E-18 1.000\n559.0 3.730E-18 1.000\n560.0 3.500E-18 1.000\n561.0 4.760E-18 1.000\n562.0 7.690E-18 1.000\n563.0 7.090E-18 1.000\n564.0 5.240E-18 1.000\n565.0 4.420E-18 1.000\n566.0 3.840E-18 1.000\n567.0 6.130E-18 1.000\n568.0 9.370E-18 1.000\n569.0 6.990E-18 1.000\n570.0 4.750E-18 1.000\n571.0 3.220E-18 1.000\n572.0 2.240E-18 1.000" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/ONIT_RACM2", "content": "ONIT_RACM2\n! ONIT + HV = 0.20*ALD + 0.80*KET + HO2 + NO2 \n! Absorption cross sections from Talukdar et al., 1997\n! Quantum yields\n! Supplied by Dr. Wendy Goliff, reformatted by Dr. Golam Sarwar to make it compatible with CMAQ\nPoints \n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n186.1 0.000E+00 1.000\n187.8 0.000E+00 1.000\n189.6 0.000E+00 1.000\n191.4 0.000E+00 1.000\n193.3 0.000E+00 1.000\n195.2 0.000E+00 1.000\n197.1 0.000E+00 1.000\n199.0 0.000E+00 1.000\n201.0 0.000E+00 1.000\n203.1 0.000E+00 1.000\n205.2 0.000E+00 1.000\n207.3 0.000E+00 1.000\n209.4 0.000E+00 1.000\n211.7 0.000E+00 1.000\n213.9 0.000E+00 1.000\n216.2 0.000E+00 1.000\n218.6 0.000E+00 1.000\n221.0 0.000E+00 1.000\n223.5 0.000E+00 1.000\n226.0 0.000E+00 1.000\n228.6 0.000E+00 1.000\n231.3 0.000E+00 1.000\n234.0 0.000E+00 1.000\n236.7 0.162E-18 1.000\n239.6 0.114E-18 1.000\n242.5 0.870E-19 1.000\n245.4 0.702E-19 1.000\n248.5 0.601E-19 1.000\n251.6 0.562E-19 1.000\n254.8 0.514E-19 1.000\n258.2 0.494E-19 1.000\n261.5 0.473E-19 1.000\n265.0 0.448E-19 1.000\n268.5 0.418E-19 1.000\n272.2 0.384E-19 1.000\n275.9 0.338E-19 1.000\n279.8 0.290E-19 1.000\n283.7 0.242E-19 1.000\n287.8 0.194E-19 1.000\n292.0 0.152E-19 1.000\n296.3 0.112E-19 1.000\n300.5 0.787E-20 1.000\n303.0 0.633E-20 1.000\n304.0 0.575E-20 1.000\n305.0 0.525E-20 1.000\n306.0 0.475E-20 1.000\n307.0 0.432E-20 1.000\n308.0 0.389E-20 1.000\n309.0 0.352E-20 1.000\n310.0 0.314E-20 1.000\n311.0 0.280E-20 1.000\n312.0 0.246E-20 1.000\n313.0 0.221E-20 1.000\n314.0 0.195E-20 1.000\n316.0 0.154E-20 1.000\n320.0 0.908E-21 1.000\n325.0 0.450E-21 1.000\n330.0 0.209E-21 1.000\n335.0 0.960E-22 1.000\n340.0 0.419E-22 1.000\n345.0 0.184E-22 1.000\n350.0 0.799E-23 1.000\n355.0 0.294E-23 1.000\n360.0 0.181E-23 1.000\n365.0 0.000E+00 1.000\n370.0 0.000E+00 1.000\n375.0 0.000E+00 1.000\n380.0 0.000E+00 1.000\n385.0 0.000E+00 1.000\n390.0 0.000E+00 1.000\n395.0 0.000E+00 1.000\n400.0 0.000E+00 1.000\n405.0 0.000E+00 1.000\n410.0 0.000E+00 1.000\n415.0 0.000E+00 1.000\n420.0 0.000E+00 1.000\n425.0 0.000E+00 1.000\n430.0 0.000E+00 1.000\n435.0 0.000E+00 1.000\n440.0 0.000E+00 1.000\n445.0 0.000E+00 1.000\n450.0 0.000E+00 1.000\n455.0 0.000E+00 1.000\n460.0 0.000E+00 1.000\n465.0 0.000E+00 1.000\n470.0 0.000E+00 1.000\n475.0 0.000E+00 1.000\n480.0 0.000E+00 1.000\n485.0 0.000E+00 1.000\n490.0 0.000E+00 1.000\n495.0 0.000E+00 1.000\n500.0 0.000E+00 1.000\n505.0 0.000E+00 1.000\n510.0 0.000E+00 1.000\n515.0 0.000E+00 1.000\n520.0 0.000E+00 1.000\n525.0 0.000E+00 1.000\n530.0 0.000E+00 1.000\n535.0 0.000E+00 1.000\n540.0 0.000E+00 1.000\n545.0 0.000E+00 1.000\n550.0 0.000E+00 1.000\n555.0 0.000E+00 1.000\n560.0 0.000E+00 1.000\n565.0 0.000E+00 1.000\n570.0 0.000E+00 1.000\n575.0 0.000E+00 1.000\n580.0 0.000E+00 1.000\n585.0 0.000E+00 1.000\n590.0 0.000E+00 1.000\n595.0 0.000E+00 1.000\n600.0 0.000E+00 1.000\n605.0 0.000E+00 1.000\n610.0 0.000E+00 1.000\n615.0 0.000E+00 1.000\n620.0 0.000E+00 1.000\n625.0 0.000E+00 1.000\n630.0 0.000E+00 1.000\n635.0 0.000E+00 1.000\n640.0 0.000E+00 1.000\n644.8 0.000E+00 1.000\n651.0 0.000E+00 1.000\n660.0 0.000E+00 1.000\n670.0 0.000E+00 1.000\n680.0 0.000E+00 1.000\n690.0 0.000E+00 1.000\n700.0 0.000E+00 1.000\n710.0 0.000E+00 1.000\n720.0 0.000E+00 1.000\n730.0 0.000E+00 1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/OP1_RACM2", "content": "OP1_RACM2\n! OP1 + HV = HO + HO2 + HCHO \n! Absorption cross sections from NASA (2006) \n! Quantum yields taken 1 \n! Supplied by Dr. Wendy Goliff, reformatted by Dr. Golam Sarwar to make it compatible with CMAQ\nPoints \n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n186.1 0.000E+00 1.000\n187.8 0.000E+00 1.000\n189.6 0.000E+00 1.000\n191.4 0.000E+00 1.000\n193.3 0.000E+00 1.000\n195.2 0.000E+00 1.000\n197.1 0.000E+00 1.000\n199.0 0.000E+00 1.000\n201.0 0.000E+00 1.000\n203.1 0.000E+00 1.000\n205.2 0.000E+00 1.000\n207.3 0.000E+00 1.000\n209.4 0.320E-18 1.000\n211.7 0.268E-18 1.000\n213.9 0.226E-18 1.000\n216.2 0.193E-18 1.000\n218.6 0.167E-18 1.000\n221.0 0.147E-18 1.000\n223.5 0.129E-18 1.000\n226.0 0.115E-18 1.000\n228.6 0.102E-18 1.000\n231.3 0.899E-19 1.000\n234.0 0.797E-19 1.000\n236.7 0.708E-19 1.000\n239.6 0.623E-19 1.000\n242.5 0.548E-19 1.000\n245.4 0.483E-19 1.000\n248.5 0.422E-19 1.000\n251.6 0.369E-19 1.000\n254.8 0.321E-19 1.000\n258.2 0.278E-19 1.000\n261.5 0.242E-19 1.000\n265.0 0.209E-19 1.000\n268.5 0.180E-19 1.000\n272.2 0.154E-19 1.000\n275.9 0.131E-19 1.000\n279.8 0.111E-19 1.000\n283.7 0.925E-20 1.000\n287.8 0.763E-20 1.000\n292.0 0.622E-20 1.000\n296.3 0.501E-20 1.000\n300.5 0.402E-20 1.000\n303.0 0.352E-20 1.000\n304.0 0.333E-20 1.000\n305.0 0.316E-20 1.000\n306.0 0.299E-20 1.000\n307.0 0.283E-20 1.000\n308.0 0.268E-20 1.000\n309.0 0.254E-20 1.000\n310.0 0.240E-20 1.000\n311.0 0.227E-20 1.000\n312.0 0.215E-20 1.000\n313.0 0.204E-20 1.000\n314.0 0.193E-20 1.000\n316.0 0.172E-20 1.000\n320.0 0.138E-20 1.000\n325.0 0.105E-20 1.000\n330.0 0.801E-21 1.000\n335.0 0.612E-21 1.000\n340.0 0.467E-21 1.000\n345.0 0.356E-21 1.000\n350.0 0.270E-21 1.000\n355.0 0.206E-21 1.000\n360.0 0.160E-21 1.000\n365.0 0.000E+00 1.000\n370.0 0.000E+00 1.000\n375.0 0.000E+00 1.000\n380.0 0.000E+00 1.000\n385.0 0.000E+00 1.000\n390.0 0.000E+00 1.000\n395.0 0.000E+00 1.000\n400.0 0.000E+00 1.000\n405.0 0.000E+00 1.000\n410.0 0.000E+00 1.000\n415.0 0.000E+00 1.000\n420.0 0.000E+00 1.000\n425.0 0.000E+00 1.000\n430.0 0.000E+00 1.000\n435.0 0.000E+00 1.000\n440.0 0.000E+00 1.000\n445.0 0.000E+00 1.000\n450.0 0.000E+00 1.000\n455.0 0.000E+00 1.000\n460.0 0.000E+00 1.000\n465.0 0.000E+00 1.000\n470.0 0.000E+00 1.000\n475.0 0.000E+00 1.000\n480.0 0.000E+00 1.000\n485.0 0.000E+00 1.000\n490.0 0.000E+00 1.000\n495.0 0.000E+00 1.000\n500.0 0.000E+00 1.000\n505.0 0.000E+00 1.000\n510.0 0.000E+00 1.000\n515.0 0.000E+00 1.000\n520.0 0.000E+00 1.000\n525.0 0.000E+00 1.000\n530.0 0.000E+00 1.000\n535.0 0.000E+00 1.000\n540.0 0.000E+00 1.000\n545.0 0.000E+00 1.000\n550.0 0.000E+00 1.000\n555.0 0.000E+00 1.000\n560.0 0.000E+00 1.000\n565.0 0.000E+00 1.000\n570.0 0.000E+00 1.000\n575.0 0.000E+00 1.000\n580.0 0.000E+00 1.000\n585.0 0.000E+00 1.000\n590.0 0.000E+00 1.000\n595.0 0.000E+00 1.000\n600.0 0.000E+00 1.000\n605.0 0.000E+00 1.000\n610.0 0.000E+00 1.000\n615.0 0.000E+00 1.000\n620.0 0.000E+00 1.000\n625.0 0.000E+00 1.000\n630.0 0.000E+00 1.000\n635.0 0.000E+00 1.000\n640.0 0.000E+00 1.000\n644.8 0.000E+00 1.000\n651.0 0.000E+00 1.000\n660.0 0.000E+00 1.000\n670.0 0.000E+00 1.000\n680.0 0.000E+00 1.000\n690.0 0.000E+00 1.000\n700.0 0.000E+00 1.000\n710.0 0.000E+00 1.000\n720.0 0.000E+00 1.000\n730.0 0.000E+00 1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/ORGNIT_RADM88", "content": "ORGNIT_RADM88\n! Organic Nitrate Photolysis (ORGNIT)\n! CH3ONO2 + hv -> 0.2ALD + 0.8KET + HO2 + NO2 \n! Abs CS from Calvert and Pitts [1966];\n! QY assumed to be unity over UV absorption range\n! format: wl, abs_cs, qy\nBeginning\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n 263.158 2.905E-20 1.000E+00\n 266.667 2.664E-20 1.000E+00\n 270.270 2.365E-20 1.000E+00\n 273.973 2.013E-20 1.000E+00\n 277.778 1.636E-20 1.000E+00\n 281.690 1.294E-20 1.000E+00\n 285.714 9.924E-21 1.000E+00\n 289.855 7.491E-21 1.000E+00\n 294.118 5.617E-21 1.000E+00\n 298.500 4.068E-21 1.000E+00\n 302.500 3.282E-21 1.000E+00\n 303.500 2.976E-21 1.000E+00\n 304.500 2.680E-21 1.000E+00\n 305.500 2.442E-21 1.000E+00\n 306.500 2.214E-21 1.000E+00\n 307.500 1.986E-21 1.000E+00\n 308.500 1.758E-21 1.000E+00\n 309.500 1.539E-21 1.000E+00\n 310.500 1.376E-21 1.000E+00\n 311.500 1.222E-21 1.000E+00\n 312.500 1.068E-21 1.000E+00\n 313.500 9.140E-22 1.000E+00\n 314.500 6.872E-22 1.000E+00\n 317.500 4.037E-22 1.000E+00\n 322.500 1.900E-22 1.000E+00\n 327.500 0.000E+00 1.000E+00\n\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/PAA", "content": "PAA \n! Peroxy acetic acid absorption cross sections \n! Orlando, J. J. and G. S. Tyndall (2003): \"Gas phase UV absorption spectra \n! for peracetic acid, and for acetic acid monomers and dimers,\" J. Photochem. \n! Photobiol A, 157, 161-166.\n! assumes a quantum of 1.0 \nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n210.0 3.810E-19 1.0000\n212.0 3.310E-19 1.0000\n214.0 2.950E-19 1.0000\n216.0 2.540E-19 1.0000\n218.0 2.170E-19 1.0000\n220.0 1.890E-19 1.0000\n222.0 1.600E-19 1.0000\n224.0 1.390E-19 1.0000\n226.0 1.200E-19 1.0000\n228.0 1.050E-19 1.0000\n230.0 9.100E-20 1.0000\n232.0 8.010E-20 1.0000\n234.0 7.030E-20 1.0000\n236.0 6.310E-20 1.0000\n238.0 5.610E-20 1.0000\n240.0 5.030E-20 1.0000\n242.0 4.830E-20 1.0000\n244.0 4.310E-20 1.0000\n246.0 3.820E-20 1.0000\n248.0 3.410E-20 1.0000\n250.0 3.050E-20 1.0000\n252.0 2.710E-20 1.0000\n254.0 2.420E-20 1.0000\n256.0 2.160E-20 1.0000\n258.0 1.930E-20 1.0000\n260.0 1.710E-20 1.0000\n262.0 1.530E-20 1.0000\n264.0 1.350E-20 1.0000\n266.0 1.210E-20 1.0000\n268.0 1.060E-20 1.0000\n270.0 9.450E-21 1.0000\n272.0 8.350E-21 1.0000\n274.0 7.420E-21 1.0000\n276.0 6.510E-21 1.0000\n278.0 5.740E-21 1.0000\n280.0 5.060E-21 1.0000\n282.0 4.440E-21 1.0000\n284.0 3.860E-21 1.0000\n286.0 3.340E-21 1.0000\n288.0 2.970E-21 1.0000\n290.0 2.560E-21 1.0000\n292.0 2.260E-21 1.0000\n294.0 1.930E-21 1.0000\n296.0 1.700E-21 1.0000\n298.0 1.410E-21 1.0000\n300.0 1.230E-21 1.0000\n302.0 1.070E-21 1.0000\n304.0 9.400E-22 1.0000\n306.0 7.800E-22 1.0000\n308.0 6.900E-22 1.0000\n310.0 6.200E-22 1.0000\n312.0 4.500E-22 1.0000\n314.0 4.400E-22 1.0000\n316.0 4.000E-22 1.0000\n318.0 3.500E-22 1.0000\n320.0 2.500E-22 1.0000\n322.0 2.000E-22 1.0000\n324.0 2.000E-22 1.0000\n326.0 1.700E-22 1.0000\n328.0 1.400E-22 1.0000\n330.0 9.000E-23 1.0000\n332.0 1.100E-22 1.0000\n334.0 1.100E-22 1.0000\n336.0 9.000E-23 1.0000\n338.0 9.000E-23 1.0000\n340.0 6.000E-23 1.0000\n342.0 3.000E-23 1.0000\n344.0 0.000E+00 1.0000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/PAA_RACM2", "content": "PAA_RACM2\n! PAA + HV = HO + MO2\n! Absorption cross sections from NASA (2006) \n! Quantum yields\n! Supplied by Dr. Wendy Goliff, reformatted by Dr. Golam Sarwar to make it compatible with CMAQ\nPoints \n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n186.1 0.000E+00 1.000\n187.8 0.000E+00 1.000\n189.6 0.000E+00 1.000\n191.4 0.000E+00 1.000\n193.3 0.000E+00 1.000\n195.2 0.000E+00 1.000\n197.1 0.000E+00 1.000\n199.0 0.000E+00 1.000\n201.0 0.000E+00 1.000\n203.1 0.000E+00 1.000\n205.2 0.000E+00 1.000\n207.3 0.000E+00 1.000\n209.4 0.000E+00 1.000\n211.7 0.331E-18 1.000\n213.9 0.295E-18 1.000\n216.2 0.254E-18 1.000\n218.6 0.217E-18 1.000\n221.0 0.175E-18 1.000\n223.5 0.139E-18 1.000\n226.0 0.120E-18 1.000\n228.6 0.105E-18 1.000\n231.3 0.856E-19 1.000\n234.0 0.703E-19 1.000\n236.7 0.596E-19 1.000\n239.6 0.503E-19 1.000\n242.5 0.483E-19 1.000\n245.4 0.407E-19 1.000\n248.5 0.422E-19 1.000\n251.6 0.271E-19 1.000\n254.8 0.229E-19 1.000\n258.2 0.193E-19 1.000\n261.5 0.153E-19 1.000\n265.0 0.128E-19 1.000\n268.5 0.103E-19 1.000\n272.2 0.835E-20 1.000\n275.9 0.651E-20 1.000\n279.8 0.444E-20 1.000\n283.7 0.386E-20 1.000\n287.8 0.297E-20 1.000\n292.0 0.226E-20 1.000\n296.3 0.170E-20 1.000\n300.5 0.119E-20 1.000\n303.0 0.101E-20 1.000\n304.0 0.940E-21 1.000\n305.0 0.860E-21 1.000\n306.0 0.780E-21 1.000\n307.0 0.740E-21 1.000\n308.0 0.690E-21 1.000\n309.0 0.660E-21 1.000\n310.0 0.620E-21 1.000\n311.0 0.540E-21 1.000\n312.0 0.450E-21 1.000\n313.0 0.445E-21 1.000\n314.0 0.440E-21 1.000\n316.0 0.400E-21 1.000\n320.0 0.250E-21 1.000\n325.0 0.185E-21 1.000\n330.0 0.900E-22 1.000\n335.0 0.100E-21 1.000\n340.0 0.600E-22 1.000\n345.0 0.000E+00 1.000\n350.0 0.000E+00 1.000\n355.0 0.000E+00 1.000\n360.0 0.000E+00 1.000\n365.0 0.000E+00 1.000\n370.0 0.000E+00 1.000\n375.0 0.000E+00 1.000\n380.0 0.000E+00 1.000\n385.0 0.000E+00 1.000\n390.0 0.000E+00 1.000\n395.0 0.000E+00 1.000\n400.0 0.000E+00 1.000\n405.0 0.000E+00 1.000\n410.0 0.000E+00 1.000\n415.0 0.000E+00 1.000\n420.0 0.000E+00 1.000\n425.0 0.000E+00 1.000\n430.0 0.000E+00 1.000\n435.0 0.000E+00 1.000\n440.0 0.000E+00 1.000\n445.0 0.000E+00 1.000\n450.0 0.000E+00 1.000\n455.0 0.000E+00 1.000\n460.0 0.000E+00 1.000\n465.0 0.000E+00 1.000\n470.0 0.000E+00 1.000\n475.0 0.000E+00 1.000\n480.0 0.000E+00 1.000\n485.0 0.000E+00 1.000\n490.0 0.000E+00 1.000\n495.0 0.000E+00 1.000\n500.0 0.000E+00 1.000\n505.0 0.000E+00 1.000\n510.0 0.000E+00 1.000\n515.0 0.000E+00 1.000\n520.0 0.000E+00 1.000\n525.0 0.000E+00 1.000\n530.0 0.000E+00 1.000\n535.0 0.000E+00 1.000\n540.0 0.000E+00 1.000\n545.0 0.000E+00 1.000\n550.0 0.000E+00 1.000\n555.0 0.000E+00 1.000\n560.0 0.000E+00 1.000\n565.0 0.000E+00 1.000\n570.0 0.000E+00 1.000\n575.0 0.000E+00 1.000\n580.0 0.000E+00 1.000\n585.0 0.000E+00 1.000\n590.0 0.000E+00 1.000\n595.0 0.000E+00 1.000\n600.0 0.000E+00 1.000\n605.0 0.000E+00 1.000\n610.0 0.000E+00 1.000\n615.0 0.000E+00 1.000\n620.0 0.000E+00 1.000\n625.0 0.000E+00 1.000\n630.0 0.000E+00 1.000\n635.0 0.000E+00 1.000\n640.0 0.000E+00 1.000\n644.8 0.000E+00 1.000\n651.0 0.000E+00 1.000\n660.0 0.000E+00 1.000\n670.0 0.000E+00 1.000\n680.0 0.000E+00 1.000\n690.0 0.000E+00 1.000\n700.0 0.000E+00 1.000\n710.0 0.000E+00 1.000\n720.0 0.000E+00 1.000\n730.0 0.000E+00 1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/PAA_RADM88", "content": "PAA_RADM88\n! Peroxyacetic Acid Photolysis (PAA)\n! PAA + hv -> MO2 + CO2 + OH \n! Abs. CS avg of Lin et al. [1978] and Molina and Molina [1981] times 0.28;\n! QY assumed to be unity over UV absorption range\n! format: wl, abs_cs, qy\nBeginning\n! With FAC, units are (cm^2/molecule)\nFAC=0.28\n 190.476 3.207E-19 1.000E+00\n 192.308 3.003E-19 1.000E+00\n 194.175 2.801E-19 1.000E+00\n 196.078 5.272E-19 1.000E+00\n 198.020 4.925E-19 1.000E+00\n 200.000 4.615E-19 1.000E+00\n 202.020 4.341E-19 1.000E+00\n 204.082 4.068E-19 1.000E+00\n 206.186 3.816E-19 1.000E+00\n 208.333 3.563E-19 1.000E+00\n 210.526 3.329E-19 1.000E+00\n 212.766 3.100E-19 1.000E+00\n 215.054 2.881E-19 1.000E+00\n 217.391 2.671E-19 1.000E+00\n 219.780 2.463E-19 1.000E+00\n 222.222 2.260E-19 1.000E+00\n 224.719 2.066E-19 1.000E+00\n 227.273 1.888E-19 1.000E+00\n 229.885 1.714E-19 1.000E+00\n 232.558 1.547E-19 1.000E+00\n 235.294 1.392E-19 1.000E+00\n 238.095 1.246E-19 1.000E+00\n 240.964 1.116E-19 1.000E+00\n 243.902 9.925E-20 1.000E+00\n 246.914 8.805E-20 1.000E+00\n 250.000 7.761E-20 1.000E+00\n 253.165 6.782E-20 1.000E+00\n 256.410 5.796E-20 1.000E+00\n 259.740 4.920E-20 1.000E+00\n 263.158 4.207E-20 1.000E+00\n 266.667 3.539E-20 1.000E+00\n 270.270 2.960E-20 1.000E+00\n 273.973 2.463E-20 1.000E+00\n 277.778 2.021E-20 1.000E+00\n 281.690 1.613E-20 1.000E+00\n 285.714 1.288E-20 1.000E+00\n 289.855 1.030E-20 1.000E+00\n 294.118 8.164E-21 1.000E+00\n 298.500 6.467E-21 1.000E+00\n 302.500 5.595E-21 1.000E+00\n 303.500 5.255E-21 1.000E+00\n 304.500 4.929E-21 1.000E+00\n 305.500 4.686E-21 1.000E+00\n 306.500 4.457E-21 1.000E+00\n 307.500 4.228E-21 1.000E+00\n 308.500 3.999E-21 1.000E+00\n 309.500 3.774E-21 1.000E+00\n 310.500 3.576E-21 1.000E+00\n 311.500 3.382E-21 1.000E+00\n 312.500 3.188E-21 1.000E+00\n 313.500 2.994E-21 1.000E+00\n 314.500 2.652E-21 1.000E+00\n 317.500 2.075E-21 1.000E+00\n 322.500 1.528E-21 1.000E+00\n 327.500 1.186E-21 1.000E+00\n 332.500 9.363E-22 1.000E+00\n 337.500 6.863E-22 1.000E+00\n 342.500 5.031E-22 1.000E+00\n 347.500 3.250E-22 1.000E+00\n 352.500 0.000E+00 1.000E+00\n\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/PACD_CB05", "content": "PACD_CB05\n! PACD + HV = MEO2 + OH \n! CB05 Photolysis data for PACD \n! Supplied by Greg Yarwood, 11/16/2007\n! Ref: Gigure, P. A. and A. W. Olmos. Sur le spectre ultraviolet \n!de l'acide peractique et l'hydrolyse des peractates. Can. J. Chem., 34, 689-691, 1956.\n! below 280 nm\n! Orlando, J. J. and G. S. Tyndall (2003): \"Gas phase UV absorption spectra \n! for peracetic acid, and for acetic acid monomers and dimers,\" J. Photochem. \n! Photobiol A, 157, 161-166.\n! assumes a quantum of 1.0 \nPoints \n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n210.0 3.810E-19 1.0000\n212.0 3.310E-19 1.0000\n214.0 2.950E-19 1.0000\n216.0 2.540E-19 1.0000\n218.0 2.170E-19 1.0000\n220.0 1.890E-19 1.0000\n222.0 1.600E-19 1.0000\n224.0 1.390E-19 1.0000\n226.0 1.200E-19 1.0000\n228.0 1.050E-19 1.0000\n230.0 9.100E-20 1.0000\n232.0 8.010E-20 1.0000\n234.0 7.030E-20 1.0000\n236.0 6.310E-20 1.0000\n238.0 5.610E-20 1.0000\n240.0 5.030E-20 1.0000\n242.0 4.830E-20 1.0000\n244.0 4.310E-20 1.0000\n246.0 3.820E-20 1.0000\n248.0 3.410E-20 1.0000\n250.0 3.050E-20 1.0000\n252.0 2.710E-20 1.0000\n254.0 2.420E-20 1.0000\n256.0 2.160E-20 1.0000\n258.0 1.930E-20 1.0000\n260.0 1.710E-20 1.0000\n262.0 1.530E-20 1.0000\n264.0 1.350E-20 1.0000\n266.0 1.210E-20 1.0000\n268.0 1.060E-20 1.0000\n270.0 9.450E-21 1.0000\n272.0 8.350E-21 1.0000\n274.0 7.420E-21 1.0000\n276.0 6.510E-21 1.0000\n278.0 5.740E-21 1.0000\n280.0 2.140E-21 1.000\n290.0 1.020E-21 1.000\n300.0 4.900E-22 1.000\n310.0 2.350E-22 1.000\n320.0 1.070E-22 1.000\n330.0 4.900E-23 1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/PAN", "content": "PAN \n! PAN + HV = #.6 {MECO3 + NO2} + #.4 {MEO2 + CO2 + NO3} \n! IUPAC Data Sheet P21.updated: 12/19/05 \n! Reaction reflects recommended quantum yields at 308 nm \n! \nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n196.0 4.290E-18 1.000\n198.0 3.980E-18 1.000\n200.0 3.610E-18 1.000\n202.0 3.250E-18 1.000\n204.0 2.920E-18 1.000\n206.0 2.610E-18 1.000\n208.0 2.260E-18 1.000\n210.0 1.960E-18 1.000\n212.0 1.680E-18 1.000\n214.0 1.430E-18 1.000\n216.0 1.220E-18 1.000\n218.0 1.040E-18 1.000\n220.0 8.970E-19 1.000\n222.0 7.770E-19 1.000\n224.0 6.760E-19 1.000\n226.0 5.930E-19 1.000\n228.0 5.200E-19 1.000\n230.0 4.580E-19 1.000\n232.0 4.040E-19 1.000\n234.0 3.550E-19 1.000\n236.0 3.140E-19 1.000\n238.0 2.790E-19 1.000\n240.0 2.440E-19 1.000\n242.0 2.150E-19 1.000\n244.0 1.880E-19 1.000\n246.0 1.660E-19 1.000\n248.0 1.460E-19 1.000\n250.0 1.290E-19 1.000\n252.0 1.140E-19 1.000\n254.0 1.000E-19 1.000\n256.0 8.860E-20 1.000\n258.0 7.800E-20 1.000\n260.0 6.850E-20 1.000\n262.0 6.010E-20 1.000\n264.0 5.230E-20 1.000\n266.0 4.540E-20 1.000\n268.0 3.940E-20 1.000\n270.0 3.370E-20 1.000\n272.0 2.870E-20 1.000\n274.0 2.450E-20 1.000\n276.0 2.070E-20 1.000\n278.0 1.740E-20 1.000\n280.0 1.460E-20 1.0000\n282.0 1.210E-20 1.0000\n284.0 1.010E-20 1.0000\n286.0 8.100E-21 1.0000\n288.0 6.480E-21 1.0000\n290.0 5.370E-21 1.0000\n292.0 4.470E-21 1.0000\n294.0 3.690E-21 1.0000\n296.0 2.970E-21 1.0000\n298.0 2.450E-21 1.0000\n300.0 1.890E-21 1.0000\n302.0 1.520E-21 1.0000\n304.0 1.250E-21 1.0000\n306.0 9.980E-22 1.0000\n308.0 8.160E-22 1.0000\n310.0 6.660E-22 1.0000\n312.0 5.380E-22 1.0000\n314.0 4.620E-22 1.0000\n316.0 3.630E-22 1.0000\n318.0 3.000E-22 1.0000\n320.0 2.520E-22 1.0000\n322.0 1.990E-22 1.0000\n324.0 1.660E-22 1.0000\n326.0 1.400E-22 1.0000\n328.0 1.170E-22 1.0000\n330.0 1.060E-22 1.0000\n332.0 8.570E-23 1.0000\n334.0 6.760E-23 1.0000\n336.0 6.150E-23 1.0000\n338.0 5.260E-23 1.0000\n340.0 5.020E-23 1.0000\n342.0 3.600E-23 1.0000\n344.0 2.410E-23 1.0000\n346.0 2.310E-23 1.0000\n348.0 2.470E-23 1.0000\n350.0 1.650E-23 1.0000\n354.0 0.000E+00 1.0000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/PAN1_RACM2", "content": "PAN1_RACM2\n! PAN + HV = ACO3 + NO2 \n! Absorption cross sections from JPL 2006 \n! Quantum yields \n! Supplied by Dr. Wendy Goliff, reformatted by Dr. Golam Sarwar to make it compatible with CMAQ\nPoints \n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n186.1 0.000E+00 0.800\n187.8 0.000E+00 0.800\n189.6 0.000E+00 0.800\n191.4 0.000E+00 0.800\n193.3 0.000E+00 0.800\n195.2 0.000E+00 0.800\n197.1 0.412E-17 0.800\n199.0 0.380E-17 0.800\n201.0 0.343E-17 0.800\n203.1 0.307E-17 0.800\n205.2 0.273E-17 0.800\n207.3 0.238E-17 0.800\n209.4 0.205E-17 0.800\n211.7 0.172E-17 0.800\n213.9 0.144E-17 0.800\n216.2 0.120E-17 0.800\n218.6 0.997E-18 0.800\n221.0 0.837E-18 0.800\n223.5 0.701E-18 0.800\n226.0 0.593E-18 0.800\n228.6 0.501E-18 0.800\n231.3 0.423E-18 0.800\n234.0 0.355E-18 0.800\n236.7 0.302E-18 0.800\n239.6 0.251E-18 0.800\n242.5 0.208E-18 0.800\n245.4 0.173E-18 0.800\n248.5 0.142E-18 0.800\n251.6 0.117E-18 0.800\n254.8 0.954E-19 0.800\n258.2 0.771E-19 0.800\n261.5 0.622E-19 0.800\n265.0 0.489E-19 0.800\n268.5 0.380E-19 0.800\n272.2 0.282E-19 0.800\n275.9 0.209E-19 0.800\n279.8 0.149E-19 0.800\n283.7 0.104E-19 0.800\n287.8 0.664E-20 0.800\n292.0 0.447E-20 0.800\n296.3 0.289E-20 0.800\n300.5 0.180E-20 0.800\n303.0 0.139E-20 0.800\n304.0 0.125E-20 0.800\n305.0 0.112E-20 0.800\n306.0 0.998E-21 0.800\n307.0 0.907E-21 0.800\n308.0 0.816E-21 0.800\n309.0 0.741E-21 0.800\n310.0 0.666E-21 0.600\n311.0 0.602E-21 0.600\n312.0 0.538E-21 0.600\n313.0 0.500E-21 0.600\n314.0 0.462E-21 0.600\n316.0 0.363E-21 0.600\n320.0 0.252E-21 0.600\n325.0 0.153E-21 0.600\n330.0 0.106E-21 0.600\n335.0 0.646E-22 0.600\n340.0 0.502E-22 0.600\n345.0 0.236E-22 0.600\n350.0 0.165E-22 0.600\n355.0 0.000E+00 0.600\n360.0 0.000E+00 0.600\n365.0 0.000E+00 0.600\n370.0 0.000E+00 0.600\n375.0 0.000E+00 0.600\n380.0 0.000E+00 0.600\n385.0 0.000E+00 0.600\n390.0 0.000E+00 0.600\n395.0 0.000E+00 0.600\n400.0 0.000E+00 0.600\n405.0 0.000E+00 0.600\n410.0 0.000E+00 0.600\n415.0 0.000E+00 0.600\n420.0 0.000E+00 0.600\n425.0 0.000E+00 0.600\n430.0 0.000E+00 0.600\n435.0 0.000E+00 0.600\n440.0 0.000E+00 0.600\n445.0 0.000E+00 0.600\n450.0 0.000E+00 0.600\n455.0 0.000E+00 0.600\n460.0 0.000E+00 0.600\n465.0 0.000E+00 0.600\n470.0 0.000E+00 0.600\n475.0 0.000E+00 0.600\n480.0 0.000E+00 0.600\n485.0 0.000E+00 0.600\n490.0 0.000E+00 0.600\n495.0 0.000E+00 0.600\n500.0 0.000E+00 0.600\n505.0 0.000E+00 0.600\n510.0 0.000E+00 0.600\n515.0 0.000E+00 0.600\n520.0 0.000E+00 0.600\n525.0 0.000E+00 0.600\n530.0 0.000E+00 0.600\n535.0 0.000E+00 0.600\n540.0 0.000E+00 0.600\n545.0 0.000E+00 0.600\n550.0 0.000E+00 0.600\n555.0 0.000E+00 0.600\n560.0 0.000E+00 0.600\n565.0 0.000E+00 0.600\n570.0 0.000E+00 0.600\n575.0 0.000E+00 0.600\n580.0 0.000E+00 0.600\n585.0 0.000E+00 0.600\n590.0 0.000E+00 0.600\n595.0 0.000E+00 0.600\n600.0 0.000E+00 0.600\n605.0 0.000E+00 0.600\n610.0 0.000E+00 0.600\n615.0 0.000E+00 0.600\n620.0 0.000E+00 0.600\n625.0 0.000E+00 0.600\n630.0 0.000E+00 0.600\n635.0 0.000E+00 0.600\n640.0 0.000E+00 0.600\n644.8 0.000E+00 0.600\n651.0 0.000E+00 0.600\n660.0 0.000E+00 0.600\n670.0 0.000E+00 0.600\n680.0 0.000E+00 0.600\n690.0 0.000E+00 0.600\n700.0 0.000E+00 0.600\n710.0 0.000E+00 0.600\n720.0 0.000E+00 0.600\n730.0 0.000E+00 0.600\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/PAN2_RACM2", "content": "PAN2_RACM2\n! PAN + HV = MO2 + NO3 \n! Absorption cross sections from JPL 2006 \n! Quantum yields \n! Supplied by Dr. Wendy Goliff, reformatted by Dr. Golam Sarwar to make it compatible with CMAQ\nPoints \n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n186.1 0.000E+00 0.200\n187.8 0.000E+00 0.200\n189.6 0.000E+00 0.200\n191.4 0.000E+00 0.200\n193.3 0.000E+00 0.200\n195.2 0.000E+00 0.200\n197.1 0.412E-17 0.200\n199.0 0.380E-17 0.200\n201.0 0.343E-17 0.200\n203.1 0.307E-17 0.200\n205.2 0.273E-17 0.200\n207.3 0.238E-17 0.200\n209.4 0.205E-17 0.200\n211.7 0.172E-17 0.200\n213.9 0.144E-17 0.200\n216.2 0.120E-17 0.200\n218.6 0.997E-18 0.200\n221.0 0.837E-18 0.200\n223.5 0.701E-18 0.200\n226.0 0.593E-18 0.200\n228.6 0.501E-18 0.200\n231.3 0.423E-18 0.200\n234.0 0.355E-18 0.200\n236.7 0.302E-18 0.200\n239.6 0.251E-18 0.200\n242.5 0.208E-18 0.200\n245.4 0.173E-18 0.200\n248.5 0.142E-18 0.200\n251.6 0.117E-18 0.200\n254.8 0.954E-19 0.200\n258.2 0.771E-19 0.200\n261.5 0.622E-19 0.200\n265.0 0.489E-19 0.200\n268.5 0.380E-19 0.200\n272.2 0.282E-19 0.200\n275.9 0.209E-19 0.200\n279.8 0.149E-19 0.200\n283.7 0.104E-19 0.200\n287.8 0.664E-20 0.200\n292.0 0.447E-20 0.200\n296.3 0.289E-20 0.200\n300.5 0.180E-20 0.200\n303.0 0.139E-20 0.200\n304.0 0.125E-20 0.200\n305.0 0.112E-20 0.200\n306.0 0.998E-21 0.200\n307.0 0.907E-21 0.200\n308.0 0.816E-21 0.200\n309.0 0.741E-21 0.200\n310.0 0.666E-21 0.400\n311.0 0.602E-21 0.400\n312.0 0.538E-21 0.400\n313.0 0.500E-21 0.400\n314.0 0.462E-21 0.400\n316.0 0.363E-21 0.400\n320.0 0.252E-21 0.400\n325.0 0.153E-21 0.400\n330.0 0.106E-21 0.400\n335.0 0.646E-22 0.400\n340.0 0.502E-22 0.400\n345.0 0.236E-22 0.400\n350.0 0.165E-22 0.400\n355.0 0.000E+00 0.400\n360.0 0.000E+00 0.400\n365.0 0.000E+00 0.400\n370.0 0.000E+00 0.400\n375.0 0.000E+00 0.400\n380.0 0.000E+00 0.400\n385.0 0.000E+00 0.400\n390.0 0.000E+00 0.400\n395.0 0.000E+00 0.400\n400.0 0.000E+00 0.400\n405.0 0.000E+00 0.400\n410.0 0.000E+00 0.400\n415.0 0.000E+00 0.400\n420.0 0.000E+00 0.400\n425.0 0.000E+00 0.400\n430.0 0.000E+00 0.400\n435.0 0.000E+00 0.400\n440.0 0.000E+00 0.400\n445.0 0.000E+00 0.400\n450.0 0.000E+00 0.400\n455.0 0.000E+00 0.400\n460.0 0.000E+00 0.400\n465.0 0.000E+00 0.400\n470.0 0.000E+00 0.400\n475.0 0.000E+00 0.400\n480.0 0.000E+00 0.400\n485.0 0.000E+00 0.400\n490.0 0.000E+00 0.400\n495.0 0.000E+00 0.400\n500.0 0.000E+00 0.400\n505.0 0.000E+00 0.400\n510.0 0.000E+00 0.400\n515.0 0.000E+00 0.400\n520.0 0.000E+00 0.400\n525.0 0.000E+00 0.400\n530.0 0.000E+00 0.400\n535.0 0.000E+00 0.400\n540.0 0.000E+00 0.400\n545.0 0.000E+00 0.400\n550.0 0.000E+00 0.400\n555.0 0.000E+00 0.400\n560.0 0.000E+00 0.400\n565.0 0.000E+00 0.400\n570.0 0.000E+00 0.400\n575.0 0.000E+00 0.400\n580.0 0.000E+00 0.400\n585.0 0.000E+00 0.400\n590.0 0.000E+00 0.400\n595.0 0.000E+00 0.400\n600.0 0.000E+00 0.400\n605.0 0.000E+00 0.400\n610.0 0.000E+00 0.400\n615.0 0.000E+00 0.400\n620.0 0.000E+00 0.400\n625.0 0.000E+00 0.400\n630.0 0.000E+00 0.400\n635.0 0.000E+00 0.400\n640.0 0.000E+00 0.400\n644.8 0.000E+00 0.400\n651.0 0.000E+00 0.400\n660.0 0.000E+00 0.400\n670.0 0.000E+00 0.400\n680.0 0.000E+00 0.400\n690.0 0.000E+00 0.400\n700.0 0.000E+00 0.400\n710.0 0.000E+00 0.400\n720.0 0.000E+00 0.400\n730.0 0.000E+00 0.400\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/PAN_IUPAC04", "content": "PAN_IUPAC04\n!CH3C(O)OONO2 + HV = CH3C(O)OO + NO2\n! From IUPAC Subcommittee on Gas Kinetic Data Evaluation\n! Data Sheet P21_CH3C(O)OONO2+hv, updated 16th July 2001 \n! Website: http://www.iupac-kinetic.ch.cam.ac.uk/\nPOINT (These are point values)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n196.0 4.290E-18 1.000\n198.0 3.980E-18 1.000\n200.0 3.610E-18 1.000\n202.0 3.250E-18 1.000\n204.0 2.920E-18 1.000\n206.0 2.610E-18 1.000\n208.0 2.260E-18 1.000\n210.0 1.960E-18 1.000\n212.0 1.680E-18 1.000\n214.0 1.430E-18 1.000\n216.0 1.220E-18 1.000\n218.0 1.040E-18 1.000\n220.0 8.970E-19 1.000\n222.0 7.770E-19 1.000\n224.0 6.760E-19 1.000\n226.0 5.930E-19 1.000\n228.0 5.200E-19 1.000\n230.0 4.580E-19 1.000\n232.0 4.040E-19 1.000\n234.0 3.550E-19 1.000\n236.0 3.140E-19 1.000\n238.0 2.790E-19 1.000\n240.0 2.440E-19 1.000\n242.0 2.150E-19 1.000\n244.0 1.880E-19 1.000\n246.0 1.660E-19 1.000\n248.0 1.460E-19 1.000\n250.0 1.290E-19 1.000\n252.0 1.140E-19 1.000\n254.0 1.000E-19 1.000\n256.0 8.860E-20 1.000\n258.0 7.800E-20 1.000\n260.0 6.850E-20 1.000\n262.0 6.010E-20 1.000\n264.0 5.230E-20 1.000\n266.0 4.540E-20 1.000\n268.0 3.940E-20 1.000\n270.0 3.370E-20 1.000\n272.0 2.870E-20 1.000\n274.0 2.450E-20 1.000\n276.0 2.070E-20 1.000\n278.0 1.740E-20 1.000\n280.0 1.460E-20 1.0\n282.0 1.210E-20 1.0\n284.0 1.010E-20 1.0\n286.0 8.100E-21 1.0\n288.0 6.480E-21 1.0\n290.0 5.370E-21 1.0\n292.0 4.470E-21 1.0\n294.0 3.690E-21 1.0\n296.0 2.970E-21 1.0\n298.0 2.450E-21 1.0\n300.0 1.890E-21 1.0\n302.0 1.520E-21 1.0\n304.0 1.250E-21 1.0\n306.0 9.980E-22 1.0\n308.0 8.160E-22 1.0\n310.0 6.660E-22 1.0\n312.0 5.380E-22 1.0\n314.0 4.620E-22 1.0\n316.0 3.630E-22 1.0\n318.0 3.000E-22 1.0\n320.0 2.520E-22 1.0\n322.0 1.990E-22 1.0\n324.0 1.660E-22 1.0\n326.0 1.400E-22 1.0\n328.0 1.170E-22 1.0\n330.0 1.060E-22 1.0\n332.0 8.570E-23 1.0\n334.0 6.760E-23 1.0\n336.0 6.150E-23 1.0\n338.0 5.260E-23 1.0\n340.0 5.020E-23 1.0\n342.0 3.600E-23 1.0\n344.0 2.410E-23 1.0\n346.0 2.310E-23 1.0\n348.0 2.470E-23 1.0\n350.0 1.650E-23 1.0\n351.0 0.0 1.0\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/PAN_IUPAC10", "content": "PAN_IUPAC10\n! j(PAN) IUPAC(2010) \n! PAN = NO2 + C2O3 \n! From IUPAC Subcommittee on Gas Kinetic Data Evaluation\n! Data Sheet P21, updated 19th Dec, 2005 \n! These are point values \nBegining (the mechanism evaluated with this format)\n!WL(nm) XSEC(cm2) QY\nFAC=1.0\n196.0 4.290E-18 1.000\n198.0 3.980E-18 1.000\n200.0 3.610E-18 1.000\n202.0 3.250E-18 1.000\n204.0 2.920E-18 1.000\n206.0 2.610E-18 1.000\n208.0 2.260E-18 1.000\n210.0 1.960E-18 1.000\n212.0 1.680E-18 1.000\n214.0 1.430E-18 1.000\n216.0 1.220E-18 1.000\n218.0 1.040E-18 1.000\n220.0 8.970E-19 1.000\n222.0 7.770E-19 1.000\n224.0 6.760E-19 1.000\n226.0 5.930E-19 1.000\n228.0 5.200E-19 1.000\n230.0 4.580E-19 1.000\n232.0 4.040E-19 1.000\n234.0 3.550E-19 1.000\n236.0 3.140E-19 1.000\n238.0 2.790E-19 1.000\n240.0 2.440E-19 1.000\n242.0 2.150E-19 1.000\n244.0 1.880E-19 1.000\n246.0 1.660E-19 1.000\n248.0 1.460E-19 1.000\n250.0 1.290E-19 1.000\n252.0 1.140E-19 1.000\n254.0 1.000E-19 1.000\n256.0 8.860E-20 1.000\n258.0 7.800E-20 1.000\n260.0 6.850E-20 1.000\n262.0 6.010E-20 1.000\n264.0 5.230E-20 1.000\n266.0 4.540E-20 1.000\n268.0 3.940E-20 1.000\n270.0 3.370E-20 1.000\n272.0 2.870E-20 1.000\n274.0 2.450E-20 1.000\n276.0 2.070E-20 1.000\n278.0 1.740E-20 1.000\n280.0 1.460E-20 1.000\n282.0 1.210E-20 1.000\n284.0 1.010E-20 1.000\n286.0 8.100E-21 1.000\n288.0 6.480E-21 1.000\n290.0 5.370E-21 1.000\n292.0 4.470E-21 1.000\n294.0 3.690E-21 1.000\n296.0 2.970E-21 1.000\n298.0 2.450E-21 1.000\n300.0 1.890E-21 1.000\n302.0 1.520E-21 1.000\n304.0 1.250E-21 1.000\n306.0 9.980E-22 1.000\n308.0 8.160E-22 1.000\n310.0 6.660E-22 1.000\n312.0 5.380E-22 1.000\n314.0 4.620E-22 1.000\n316.0 3.630E-22 1.000\n318.0 3.000E-22 1.000\n320.0 2.520E-22 1.000\n322.0 1.990E-22 1.000\n324.0 1.660E-22 1.000\n326.0 1.400E-22 1.000\n328.0 1.170E-22 1.000\n330.0 1.060E-22 1.000\n332.0 8.570E-23 1.000\n334.0 6.760E-23 1.000\n336.0 6.150E-23 1.000\n338.0 5.260E-23 1.000\n340.0 5.020E-23 1.000\n342.0 3.600E-23 1.000\n344.0 2.410E-23 1.000\n346.0 2.310E-23 1.000\n348.0 2.470E-23 1.000\n350.0 1.650E-23 1.000\n351.0 0.000E+00 1.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/PNA_IUPAC10", "content": "PNA_IUPAC10\n! j(PNA) IUPAC(2010) \n! PNA = 0.61 HO2 + 0.61 NO2 + 0.39 OH + 0.39 NO3 \n! From IUPAC Subcommittee on Gas Kinetic Data Evaluation\n! Data Sheet PNxO3, updated 16th Jul, 2001 \n! These are point values \nBegining (the mechanism evaluated with this format)\n!WL(nm) XSEC(cm2) QY\nFAC=1.0\n190.0 1.01e-17 1.000\n195.0 8.16e-18 1.000\n200.0 5.63e-18 1.000\n205.0 3.67e-18 1.000\n210.0 2.39e-18 1.000\n215.0 1.61e-18 1.000\n220.0 1.18e-18 1.000\n225.0 9.32e-19 1.000\n230.0 7.88e-19 1.000\n235.0 6.80e-19 1.000\n240.0 5.79e-19 1.000\n245.0 4.97e-19 1.000\n250.0 4.11e-19 1.000\n255.0 3.49e-19 1.000\n260.0 2.84e-19 1.000\n265.0 2.29e-19 1.000\n270.0 1.80e-19 1.000\n275.0 1.33e-19 1.000\n280.0 9.30e-20 1.000\n285.0 6.20e-20 1.000\n290.0 3.90e-20 1.000\n295.0 2.40e-20 1.000\n300.0 1.40e-20 1.000\n305.0 8.50e-21 1.000\n310.0 5.30e-21 1.000\n315.0 3.90e-21 1.000\n320.0 2.40e-21 1.000\n325.0 1.50e-21 1.000\n330.0 9.00e-22 1.000\n331.0 0.000000 0.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/PROPANAL_IUPAC", "content": "PROPANAL_IUPAC\n!Propionaldehyde + HV = C2H5. + CHO.\n! From IUPAC Subcommittee on Gas Kinetic Data Evaluation\n! Data Sheet Propiopnaldehyde+hv, updated 17th Feb 2005\n! Website: http://www.iupac-kinetic.ch.cam.ac.uk/\n! IUPAC did not recommend quantum yields, values taken from\n! Jaoui and Kamens (2003), Atm. Env., vol 37(13), 1835-1851.\nPoints (!These are point values)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n277.5 1.22E-19 0.4000\n282.5 1.30E-19 0.4000\n287.5 1.35E-19 0.4000\n292.5 1.29E-19 0.4000\n297.5 1.22E-19 0.4000\n302.5 1.06E-19 0.4000\n307.5 8.94E-20 0.4000\n312.5 6.84E-20 0.4000\n317.5 4.90E-20 0.4000\n322.5 3.07E-20 0.4000\n327.5 1.72E-20 0.4000\n332.5 0.72E-20 0.4000\n337.5 0.29E-20 0.4000\n342.5 0.08E-20 0.4000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/PROPANAL_IUPAC_1st_try", "content": "PROPANAL_IUPAC\n!Propionaldehyde + HV = C2H5. + CHO.\n! From IUPAC Subcommittee on Gas Kinetic Data Evaluation\n! Data Sheet Propiopnaldehyde+hv, updated 17th Feb 2005\n! Website: http://www.iupac-kinetic.ch.cam.ac.uk/\n! IUPAC did not recommend quantum yields, values taken from\n! Jaoui and Kamens (2003), Atm. Env., vol 37(13), 1835-1851.\nPoints (!These are point values)\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n277.5 1.22E-19 0.4000\n282.5 1.30E-19 0.4000\n287.5 1.35E-19 0.4000\n292.5 1.29E-19 0.4000\n297.5 1.22E-19 0.4000\n302.5 1.06E-19 0.4000\n307.5 8.94E-20 0.4000\n312.5 6.84E-20 0.4000\n317.5 4.90E-20 0.4000\n322.5 3.07E-20 0.4000\n327.5 1.72E-20 0.4000\n332.5 0.72E-20 0.4000\n337.5 0.29E-20 0.4000\n342.5 0.08E-20 0.4000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/PROPNN_RACM2", "content": "PROPNN_RACM2 \t\t\n! PROPNN + hv = NO2 + HCHO j(noa1) \n! nitrooxy-acetone (NOA) photolysis quantum yields \n! cross section based on Roberts and Fajer (1989). \t\t\n! Mller et al. 2014 define the cross-section enhancement rnk of a carbonyl nitrate(Fig.1)\n! quantum yield based on Mller (2014). \t\t\n! They estimate the average quantum yield to be 0.9 for NOA (no2 here) \t\t\n! and 0.75 for 3-nitrooxy-2-butanone (MVKN) (noa2 \"here),\" with an estimated error of ca. 0.2. \t\n! The value of 0.9 is a factor of 4 higher than the MCMv3.2 averaged quantum yiel for \"NOA,\n! Made by Azimeh Zare\nPoints (the mechanism evaluated with this format) \t\t\n! With \"FAC,\" units are (cm^2/molecule)\nFAC=1.0 !NOA !rnk1\n245 2.29E-19 0.94 !2.29E-19 1 \t\t\n250 1.47E-19 0.94 !1.47E-19 1 \t\t\n255 1.07E-19 0.94 !1.07E-19 1 \t\t\n260 8.53E-20 0.94 !8.53E-20 1 \t\t\n265 7.63E-20 0.92 !7.63E-20 1 \t\t\n270 1.09E-19 0.9 !7.29E-20 1.5 \t\t\n275 1.05E-19 0.9 !7.02E-20 1.5 \t\t\n280 1.03E-19 0.9 !6.67E-20 1.55 \t\t\n285 1.00E-19 0.9 !6.25E-20 1.6 \t\t\n290 9.91E-20 0.9 !5.83E-20 1.7 \t\t\n295 9.32E-20 0.9 !5.18E-20 1.8 \t\t\n300 8.51E-20 0.9 !4.48E-20 1.9 \t\t\n305 7.22E-20 0.9 !3.61E-20 2 \t\t\n310 5.92E-20 0.9 !2.69E-20 2.2 \t\t\n315 4.74E-20 0.9 !1.86E-20 2.55 \t\t\n320 4.19E-20 0.9 !1.31E-20 3.2 \t\t\n325 3.63E-20 0.9 !7.90E-21 4.6 \t\t\n330 3.19E-20 0.9 !4.55E-21 7 \t\t\n335 2.20E-20 0.9 !2.20E-21 10 \t\t\n340 1.60E-20 0.9 !1.60E-21 10 \t\t\n345 0.00E+00 0.9 !0.00E+00 1 \t\t\n350 0.00E+00 0.9 !0.00E+00 1 \t\t\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/PYRUACID_JPL2011", "content": "PYRUACID_JPL2011\n! CH3C(O)C(O)OH + hv --> CH3CHO + CO2 (1)\n! --> CH3CO + COOH (2)\n! --> CH3COOH + CO (3)\n! --> CH3CO + CO + OH (4)\n! QY1 = 0.48 QY2 = 0.39 QY3 = 0.08 QY4 = 0.05\n!\n!S.P. Sander, J. Abbatt, J. R. Barker, J. B. Burkholder, R. R. Friedl, \n!D. M. Golden, R. E. Huie, C. E. Kolb, M. J. Kurylo, G. K. Moortgat, \n!V. L. Orkin and P. H. Wine, \"Chemical Kinetics and Photochemical \n!Data for Use in Atmospheric Studies, Evaluation Number 17,\n!\" JPL Publication 10-6, Jet Propulsion Laboratory, Pasadena, 2011. \n!http://jpldataeval.jpl.nasa.gov\n!\n!Adopts the earlier recommendation of\n!\n!S.P. Sander, R.R. Friedl, D.M. Golden, M.J. Kurylo, G.K. Moortgat, \n!H. Keller-Rudek, P.H. Wine, A.R. Ravishankara, C.E. Kolb, M.J. \n!Molina, B.J. Finlayson-Pitts, R.E. Huie, V.L. Orkin, \n!Chemical Kinetics and Photochemical Data for Use in Atmospheric \n!Studies. Evaluation Number 15, JPL Publication 06-2,\n!Jet Propulsion Laboratory, Pasadena, 2006:\n!\n!252-285 nm, data of\n!\n!A. Horowitz, R. Meller, and G.K. Moortgat, The UV-VIS absorption\n!cross sections of the a-dicarbonyl compounds: pyruvic acid, \n!biacetyl and glyoxal\", J. Photochem. Photobiol. A: Chem. 146, 19-27 \n!(2001),\n!\n!290-380 nm, mean of the data of\n!A. Horowitz, R. Meller, and G.K. Moortgat, \n!The UV-VIS absorption cross sections of the a-dicarbonyl compounds: \n!pyruvic acid, biacetyl and glyoxal\", J. Photochem. Photobiol. A: Chem. 146, \n!19-27 (2001),\n!\n!and\n!\n!A. Mellouki and Y. Mu, \"On the atmospheric degradation of pyruvic acid \n!in the gas phase,\" J. Photochem.Photobiol. A: Chem. 157, 295-300 (2003),\n!\n!385-399 nm, data of\n!\n!A. Horowitz, R. Meller, and G.K. Moortgat, The UV-VIS absorption cross \n!sections of the a-dicarbonyl compounds: pyruvic acid, biacetyl and \n!glyoxal\", J. Photochem. Photobiol. A: Chem. 146, 19-27 (2001).\nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n252.0 1.54e-20 1.000 \n253.0 1.55e-20 1.000 \n254.0 1.61e-20 1.000 \n255.0 1.56e-20 1.000 \n256.0 1.52e-20 1.000 \n257.0 1.41e-20 1.000 \n258.0 1.25e-20 1.000 \n259.0 1.07e-20 1.000 \n260.0 9.08e-21 1.000 \n261.0 8.01e-21 1.000 \n262.0 7.37e-21 1.000 \n263.0 7.18e-21 1.000 \n264.0 7.18e-21 1.000 \n265.0 7.00e-21 1.000 \n266.0 6.51e-21 1.000 \n267.0 5.66e-21 1.000 \n268.0 4.70e-21 1.000 \n269.0 3.67e-21 1.000 \n270.0 2.78e-21 1.000 \n271.0 2.24e-21 1.000 \n272.0 1.95e-21 1.000 \n273.0 1.85e-21 1.000 \n274.0 1.82e-21 1.000 \n275.0 1.88e-21 1.000 \n276.0 1.89e-21 1.000 \n277.0 1.80e-21 1.000 \n278.0 1.64e-21 1.000 \n279.0 1.39e-21 1.000 \n280.0 1.18e-21 1.000 \n281.0 1.01e-21 1.000 \n282.0 9.30e-22 1.000 \n283.0 9.80e-22 1.000 \n284.0 1.04e-21 1.000 \n285.0 1.13e-21 1.000 \n290.0 3.02e-21 1.000 \n291.0 3.23e-21 1.000 \n292.0 3.70e-21 1.000 \n293.0 4.09e-21 1.000 \n294.0 4.39e-21 1.000 \n295.0 4.70e-21 1.000 \n296.0 4.91e-21 1.000 \n297.0 5.19e-21 1.000 \n298.0 5.48e-21 1.000 \n299.0 5.94e-21 1.000 \n300.0 6.39e-21 1.000 \n301.0 6.78e-21 1.000 \n302.0 7.24e-21 1.000 \n303.0 7.75e-21 1.000 \n304.0 8.22e-21 1.000 \n305.0 8.98e-21 1.000 \n306.0 9.77e-21 1.000 \n307.0 1.04e-20 1.000 \n308.0 1.13e-20 1.000 \n309.0 1.21e-20 1.000 \n310.0 1.22e-20 1.000 \n311.0 1.27e-20 1.000 \n312.0 1.34e-20 1.000 \n313.0 1.42e-20 1.000 \n314.0 1.49e-20 1.000 \n315.0 1.57e-20 1.000 \n316.0 1.69e-20 1.000 \n317.0 1.83e-20 1.000 \n318.0 1.94e-20 1.000 \n319.0 2.05e-20 1.000 \n320.0 2.17e-20 1.000 \n321.0 2.31e-20 1.000 \n322.0 2.41e-20 1.000 \n323.0 2.50e-20 1.000 \n324.0 2.54e-20 1.000 \n325.0 2.60e-20 1.000 \n326.0 2.72e-20 1.000 \n327.0 2.78e-20 1.000 \n328.0 2.84e-20 1.000 \n329.0 2.98e-20 1.000 \n330.0 3.15e-20 1.000 \n331.0 3.35e-20 1.000 \n332.0 3.66e-20 1.000 \n333.0 3.87e-20 1.000 \n334.0 3.91e-20 1.000 \n335.0 3.96e-20 1.000 \n336.0 4.02e-20 1.000 \n337.0 4.02e-20 1.000 \n338.0 3.99e-20 1.000 \n339.0 3.96e-20 1.000 \n340.0 3.93e-20 1.000 \n341.0 3.95e-20 1.000 \n342.0 4.19e-20 1.000 \n343.0 4.24e-20 1.000 \n344.0 4.17e-20 1.000 \n345.0 4.26e-20 1.000 \n346.0 4.46e-20 1.000 \n347.0 4.58e-20 1.000 \n348.0 4.73e-20 1.000 \n349.0 4.92e-20 1.000 \n350.0 4.98e-20 1.000 \n351.0 4.79e-20 1.000 \n352.0 4.63e-20 1.000 \n353.0 4.54e-20 1.000 \n354.0 4.47e-20 1.000 \n355.0 4.13e-20 1.000 \n356.0 3.89e-20 1.000 \n357.0 3.66e-20 1.000 \n358.0 3.41e-20 1.000 \n359.0 3.22e-20 1.000 \n360.0 3.44e-20 1.000 \n361.0 3.59e-20 1.000 \n362.0 3.38e-20 1.000 \n363.0 3.01e-20 1.000 \n364.0 2.85e-20 1.000 \n365.0 2.86e-20 1.000 \n366.0 2.80e-20 1.000 \n367.0 2.88e-20 1.000 \n368.0 3.16e-20 1.000 \n369.0 3.52e-20 1.000 \n370.0 3.26e-20 1.000 \n371.0 2.87e-20 1.000 \n372.0 2.04e-20 1.000 \n373.0 1.76e-20 1.000 \n374.0 1.68e-20 1.000 \n375.0 1.22e-20 1.000 \n376.0 1.10e-20 1.000 \n377.0 9.50e-21 1.000 \n378.0 8.42e-21 1.000 \n379.0 6.88e-21 1.000 \n380.0 5.21e-21 1.000 \n385.0 9.70e-22 1.000 \n386.0 8.40e-22 1.000 \n387.0 7.70e-22 1.000 \n388.0 6.60e-22 1.000 \n389.0 5.60e-22 1.000 \n390.0 4.70e-22 1.000 \n391.0 3.40e-22 1.000 \n392.0 3.10e-22 1.000 \n393.0 2.60e-22 1.000 \n394.0 1.50e-22 1.000 \n395.0 1.10e-22 1.000 \n396.0 6.00e-23 1.000 \n397.0 2.00e-23 1.000 \n398.0 2.00e-23 1.000 \n399.0 9.00e-23 1.000 \n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/PYRUACID_RACM2", "content": "PYRUACID_RACM2\n!copied from PYRUACID_JPL2011\n!PYAC + hv = ACO3 + CO2 + HO2\n!\n! CH3C(O)C(O)OH + hv --> CH3CHO + CO2 (1)\n! --> CH3CO + COOH (2)\n! --> CH3COOH + CO (3)\n! --> CH3CO + CO + OH (4)\n! QY1 = 0.48 QY2 = 0.39 QY3 = 0.08 QY4 = 0.05\n!\n!S.P. Sander, J. Abbatt, J. R. Barker, J. B. Burkholder, R. R. Friedl, \n!D. M. Golden, R. E. Huie, C. E. Kolb, M. J. Kurylo, G. K. Moortgat, \n!V. L. Orkin and P. H. Wine, \"Chemical Kinetics and Photochemical \n!Data for Use in Atmospheric Studies, Evaluation Number 17,\n!\" JPL Publication 10-6, Jet Propulsion Laboratory, Pasadena, 2011. \n!http://jpldataeval.jpl.nasa.gov\n!\n!Adopts the earlier recommendation of\n!\n!S.P. Sander, R.R. Friedl, D.M. Golden, M.J. Kurylo, G.K. Moortgat, \n!H. Keller-Rudek, P.H. Wine, A.R. Ravishankara, C.E. Kolb, M.J. \n!Molina, B.J. Finlayson-Pitts, R.E. Huie, V.L. Orkin, \n!Chemical Kinetics and Photochemical Data for Use in Atmospheric \n!Studies. Evaluation Number 15, JPL Publication 06-2,\n!Jet Propulsion Laboratory, Pasadena, 2006:\n!\n!252-285 nm, data of\n!\n!A. Horowitz, R. Meller, and G.K. Moortgat, The UV-VIS absorption\n!cross sections of the a-dicarbonyl compounds: pyruvic acid, \n!biacetyl and glyoxal\", J. Photochem. Photobiol. A: Chem. 146, 19-27 \n!(2001),\n!\n!290-380 nm, mean of the data of\n!A. Horowitz, R. Meller, and G.K. Moortgat, \n!The UV-VIS absorption cross sections of the a-dicarbonyl compounds: \n!pyruvic acid, biacetyl and glyoxal\", J. Photochem. Photobiol. A: Chem. 146, \n!19-27 (2001),\n!\n!and\n!\n!A. Mellouki and Y. Mu, \"On the atmospheric degradation of pyruvic acid \n!in the gas phase,\" J. Photochem.Photobiol. A: Chem. 157, 295-300 (2003),\n!\n!385-399 nm, data of\n!\n!A. Horowitz, R. Meller, and G.K. Moortgat, The UV-VIS absorption cross \n!sections of the a-dicarbonyl compounds: pyruvic acid, biacetyl and \n!glyoxal\", J. Photochem. Photobiol. A: Chem. 146, 19-27 (2001).\nPoints (the mechanism evaluated with this format) \n! With FAC, units are (cm^2/molecule) \nFAC=1.0 \n252.0 1.54e-20 1.000 \n253.0 1.55e-20 1.000 \n254.0 1.61e-20 1.000 \n255.0 1.56e-20 1.000 \n256.0 1.52e-20 1.000 \n257.0 1.41e-20 1.000 \n258.0 1.25e-20 1.000 \n259.0 1.07e-20 1.000 \n260.0 9.08e-21 1.000 \n261.0 8.01e-21 1.000 \n262.0 7.37e-21 1.000 \n263.0 7.18e-21 1.000 \n264.0 7.18e-21 1.000 \n265.0 7.00e-21 1.000 \n266.0 6.51e-21 1.000 \n267.0 5.66e-21 1.000 \n268.0 4.70e-21 1.000 \n269.0 3.67e-21 1.000 \n270.0 2.78e-21 1.000 \n271.0 2.24e-21 1.000 \n272.0 1.95e-21 1.000 \n273.0 1.85e-21 1.000 \n274.0 1.82e-21 1.000 \n275.0 1.88e-21 1.000 \n276.0 1.89e-21 1.000 \n277.0 1.80e-21 1.000 \n278.0 1.64e-21 1.000 \n279.0 1.39e-21 1.000 \n280.0 1.18e-21 1.000 \n281.0 1.01e-21 1.000 \n282.0 9.30e-22 1.000 \n283.0 9.80e-22 1.000 \n284.0 1.04e-21 1.000 \n285.0 1.13e-21 1.000 \n290.0 3.02e-21 1.000 \n291.0 3.23e-21 1.000 \n292.0 3.70e-21 1.000 \n293.0 4.09e-21 1.000 \n294.0 4.39e-21 1.000 \n295.0 4.70e-21 1.000 \n296.0 4.91e-21 1.000 \n297.0 5.19e-21 1.000 \n298.0 5.48e-21 1.000 \n299.0 5.94e-21 1.000 \n300.0 6.39e-21 1.000 \n301.0 6.78e-21 1.000 \n302.0 7.24e-21 1.000 \n303.0 7.75e-21 1.000 \n304.0 8.22e-21 1.000 \n305.0 8.98e-21 1.000 \n306.0 9.77e-21 1.000 \n307.0 1.04e-20 1.000 \n308.0 1.13e-20 1.000 \n309.0 1.21e-20 1.000 \n310.0 1.22e-20 1.000 \n311.0 1.27e-20 1.000 \n312.0 1.34e-20 1.000 \n313.0 1.42e-20 1.000 \n314.0 1.49e-20 1.000 \n315.0 1.57e-20 1.000 \n316.0 1.69e-20 1.000 \n317.0 1.83e-20 1.000 \n318.0 1.94e-20 1.000 \n319.0 2.05e-20 1.000 \n320.0 2.17e-20 1.000 \n321.0 2.31e-20 1.000 \n322.0 2.41e-20 1.000 \n323.0 2.50e-20 1.000 \n324.0 2.54e-20 1.000 \n325.0 2.60e-20 1.000 \n326.0 2.72e-20 1.000 \n327.0 2.78e-20 1.000 \n328.0 2.84e-20 1.000 \n329.0 2.98e-20 1.000 \n330.0 3.15e-20 1.000 \n331.0 3.35e-20 1.000 \n332.0 3.66e-20 1.000 \n333.0 3.87e-20 1.000 \n334.0 3.91e-20 1.000 \n335.0 3.96e-20 1.000 \n336.0 4.02e-20 1.000 \n337.0 4.02e-20 1.000 \n338.0 3.99e-20 1.000 \n339.0 3.96e-20 1.000 \n340.0 3.93e-20 1.000 \n341.0 3.95e-20 1.000 \n342.0 4.19e-20 1.000 \n343.0 4.24e-20 1.000 \n344.0 4.17e-20 1.000 \n345.0 4.26e-20 1.000 \n346.0 4.46e-20 1.000 \n347.0 4.58e-20 1.000 \n348.0 4.73e-20 1.000 \n349.0 4.92e-20 1.000 \n350.0 4.98e-20 1.000 \n351.0 4.79e-20 1.000 \n352.0 4.63e-20 1.000 \n353.0 4.54e-20 1.000 \n354.0 4.47e-20 1.000 \n355.0 4.13e-20 1.000 \n356.0 3.89e-20 1.000 \n357.0 3.66e-20 1.000 \n358.0 3.41e-20 1.000 \n359.0 3.22e-20 1.000 \n360.0 3.44e-20 1.000 \n361.0 3.59e-20 1.000 \n362.0 3.38e-20 1.000 \n363.0 3.01e-20 1.000 \n364.0 2.85e-20 1.000 \n365.0 2.86e-20 1.000 \n366.0 2.80e-20 1.000 \n367.0 2.88e-20 1.000 \n368.0 3.16e-20 1.000 \n369.0 3.52e-20 1.000 \n370.0 3.26e-20 1.000 \n371.0 2.87e-20 1.000 \n372.0 2.04e-20 1.000 \n373.0 1.76e-20 1.000 \n374.0 1.68e-20 1.000 \n375.0 1.22e-20 1.000 \n376.0 1.10e-20 1.000 \n377.0 9.50e-21 1.000 \n378.0 8.42e-21 1.000 \n379.0 6.88e-21 1.000 \n380.0 5.21e-21 1.000 \n385.0 9.70e-22 1.000 \n386.0 8.40e-22 1.000 \n387.0 7.70e-22 1.000 \n388.0 6.60e-22 1.000 \n389.0 5.60e-22 1.000 \n390.0 4.70e-22 1.000 \n391.0 3.40e-22 1.000 \n392.0 3.10e-22 1.000 \n393.0 2.60e-22 1.000 \n394.0 1.50e-22 1.000 \n395.0 1.10e-22 1.000 \n396.0 6.00e-23 1.000 \n397.0 2.00e-23 1.000 \n398.0 2.00e-23 1.000 \n399.0 9.00e-23 1.000 \n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/TBUTNO3_MCMv32", "content": "TBUTNO3_MCMv32\n!tert-butyl nitrate, 1,1-dimethyl-1-ethyl nitrate\n!t-c4h9no3 ---> t-c4h90 + no2\n!cross section from URL\n!http://joseba.mpch-mainz.mpg.de/spectral_atlas_data/\n! cross_sections/Organics%20(N-compounds)/Nitrates/\n! t-C4H9ONO2,(CH3)3CONO2_RobertsFajer(1989)_298K_270-330nm.txt\n! (last accessed Nov.28,2017)\n! Reference:\n! J.M. Roberts and R.W. Fajer, \"UV absorption cross sections of organic nitrates \n! of potential atmospheric importance and estimation of atmospheric lifetimes,\" \n! Environ. Sci. Technol. 23, 945-951 (1989); DOI: 10.1021/es00066a003 \n!\n!WVL XC,cm^2 QY\nPoints \n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n270.0 4.27E-20 1.0\n272.0 4.20E-20 1.0\n274.0 4.11E-20 1.0\n276.0 3.98E-20 1.0\n278.0 3.83E-20 1.0\n280.0 3.66E-20 1.0\n282.0 3.46E-20 1.0\n284.0 3.25E-20 1.0\n286.0 3.03E-20 1.0\n288.0 2.80E-20 1.0\n290.0 2.57E-20 1.0\n292.0 2.34E-20 1.0\n294.0 2.11E-20 1.0\n296.0 1.89E-20 1.0\n298.0 1.68E-20 1.0\n300.0 1.48E-20 1.0\n302.0 1.29E-20 1.0\n304.0 1.12E-20 1.0\n306.0 9.66E-21 1.0\n308.0 8.25E-21 1.0\n310.0 6.99E-21 1.0\n312.0 5.87E-21 1.0\n314.0 4.90E-21 1.0\n316.0 4.05E-21 1.0\n318.0 3.32E-21 1.0\n320.0 2.70E-21 1.0\n322.0 2.18E-21 1.0\n324.0 1.75E-21 1.0\n326.0 1.39E-21 1.0\n328.0 1.10E-21 1.0\n330.0 8.59E-22 1.0\n332.0 6.66E-22 1.0\n334.0 5.13E-22 1.0\n\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/UALD_RACM2", "content": "UALD_RACM2\n! UALD + HV = 1.22*HO2 + 0.784*ACO3 + 1.22*CO + 0.35*HCHO + 0.434*ALD + 0.216*KET\n! Photolysis basded on crotonaldehyde \n! Magrenon et al, 2002\n! Supplied by Dr. Wendy Goliff, reformatted by Dr. Golam Sarwar to make it compatible with CMAQ\nPoints \n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n186.1 0.000E+00 0.030\n187.8 0.000E+00 0.030\n189.6 0.000E+00 0.030\n191.4 0.000E+00 0.030\n193.3 0.000E+00 0.030\n195.2 0.000E+00 0.030\n197.1 0.000E+00 0.030\n199.0 0.000E+00 0.030\n201.0 0.000E+00 0.030\n203.1 0.000E+00 0.030\n205.2 0.000E+00 0.030\n207.3 0.000E+00 0.030\n209.4 0.000E+00 0.030\n211.7 0.000E+00 0.030\n213.9 0.000E+00 0.030\n216.2 0.000E+00 0.030\n218.6 0.000E+00 0.030\n221.0 0.000E+00 0.030\n223.5 0.000E+00 0.030\n226.0 0.000E+00 0.030\n228.6 0.000E+00 0.030\n231.3 0.000E+00 0.030\n234.0 0.000E+00 0.030\n236.7 0.000E+00 0.030\n239.6 0.000E+00 0.030\n242.5 0.000E+00 0.030\n245.4 0.000E+00 0.030\n248.5 0.000E+00 0.030\n251.6 0.000E+00 0.030\n254.8 0.000E+00 0.030\n258.2 0.280E-20 0.030\n261.5 0.330E-20 0.030\n265.0 0.380E-20 0.030\n268.5 0.530E-20 0.030\n272.2 0.660E-20 0.030\n275.9 0.900E-20 0.030\n279.8 0.118E-19 0.030\n283.7 0.154E-19 0.030\n287.8 0.195E-19 0.030\n292.0 0.240E-19 0.030\n296.3 0.293E-19 0.030\n300.5 0.351E-19 0.030\n303.0 0.386E-19 0.030\n304.0 0.402E-19 0.030\n305.0 0.417E-19 0.030\n306.0 0.433E-19 0.030\n307.0 0.445E-19 0.030\n308.0 0.458E-19 0.030\n309.0 0.464E-19 0.030\n310.0 0.479E-19 0.030\n311.0 0.492E-19 0.030\n312.0 0.505E-19 0.030\n313.0 0.519E-19 0.030\n314.0 0.532E-19 0.030\n316.0 0.558E-19 0.030\n320.0 0.585E-19 0.030\n325.0 0.614E-19 0.030\n330.0 0.645E-19 0.030\n335.0 0.586E-19 0.030\n340.0 0.588E-19 0.030\n345.0 0.539E-19 0.030\n350.0 0.413E-19 0.030\n355.0 0.388E-19 0.030\n360.0 0.345E-19 0.030\n365.0 0.194E-19 0.030\n370.0 0.143E-19 0.030\n375.0 0.127E-19 0.030\n380.0 0.810E-20 0.030\n385.0 0.280E-20 0.030\n390.0 0.140E-20 0.030\n395.0 0.000E+00 0.030\n400.0 0.000E+00 0.030\n405.0 0.000E+00 0.030\n410.0 0.000E+00 0.030\n415.0 0.000E+00 0.030\n420.0 0.000E+00 0.030\n425.0 0.000E+00 0.030\n430.0 0.000E+00 0.030\n435.0 0.000E+00 0.030\n440.0 0.000E+00 0.030\n445.0 0.000E+00 0.030\n450.0 0.000E+00 0.030\n455.0 0.000E+00 0.030\n460.0 0.000E+00 0.030\n465.0 0.000E+00 0.030\n470.0 0.000E+00 0.030\n475.0 0.000E+00 0.030\n480.0 0.000E+00 0.030\n485.0 0.000E+00 0.000\n490.0 0.000E+00 0.000\n495.0 0.000E+00 0.000\n500.0 0.000E+00 0.000\n505.0 0.000E+00 0.000\n510.0 0.000E+00 0.000\n515.0 0.000E+00 0.000\n520.0 0.000E+00 0.000\n525.0 0.000E+00 0.000\n530.0 0.000E+00 0.000\n535.0 0.000E+00 0.000\n540.0 0.000E+00 0.000\n545.0 0.000E+00 0.000\n550.0 0.000E+00 0.000\n555.0 0.000E+00 0.000\n560.0 0.000E+00 0.000\n565.0 0.000E+00 0.000\n570.0 0.000E+00 0.000\n575.0 0.000E+00 0.000\n580.0 0.000E+00 0.000\n585.0 0.000E+00 0.000\n590.0 0.000E+00 0.000\n595.0 0.000E+00 0.000\n600.0 0.000E+00 0.000\n605.0 0.000E+00 0.000\n610.0 0.000E+00 0.000\n615.0 0.000E+00 0.000\n620.0 0.000E+00 0.000\n625.0 0.000E+00 0.000\n630.0 0.000E+00 0.000\n635.0 0.000E+00 0.000\n640.0 0.000E+00 0.000\n644.8 0.000E+00 0.000\n651.0 0.000E+00 0.000\n660.0 0.000E+00 0.000\n670.0 0.000E+00 0.000\n680.0 0.000E+00 0.000\n690.0 0.000E+00 0.000\n700.0 0.000E+00 0.000\n710.0 0.000E+00 0.000\n720.0 0.000E+00 0.000\n730.0 0.000E+00 0.000\n" }, { "path": "UTIL/inline_phot_preproc/photolysis_CSQY_data/UDC_RADM88", "content": "UDC_RADM88\n! Unsaturated Dicarbonyl Photolysis (UDC)\n! HCOCH=CHCHO + hv -> 0.98HO2 + TCO3 + 0.02ACO3 \n! Taken from the original RADM data\n! format: wl, abs_cs, qy\nBeginning\n! With FAC, units are (cm^2/molecule)\nFAC=1.0\n 185.185 7.900E-20 1.000E+00\n 186.916 7.900E-20 1.000E+00\n 188.679 7.900E-20 1.000E+00\n 190.476 7.900E-20 1.000E+00\n 192.308 7.900E-20 1.000E+00\n 194.175 7.900E-20 1.000E+00\n 196.078 7.900E-20 1.000E+00\n 198.020 7.900E-20 1.000E+00\n 200.000 7.900E-20 1.000E+00\n 202.020 7.900E-20 1.000E+00\n 204.082 7.900E-20 1.000E+00\n 206.186 7.900E-20 1.000E+00\n 208.333 7.900E-20 1.000E+00\n 210.526 7.900E-20 1.000E+00\n 212.766 7.900E-20 1.000E+00\n 215.054 7.900E-20 1.000E+00\n 217.391 7.900E-20 1.000E+00\n 219.780 7.900E-20 1.000E+00\n 222.222 7.900E-20 1.000E+00\n 224.719 7.900E-20 1.000E+00\n 227.273 7.900E-20 1.000E+00\n 229.885 7.900E-20 1.000E+00\n 232.558 7.900E-20 1.000E+00\n 235.294 7.900E-20 1.000E+00\n 238.095 7.900E-20 1.000E+00\n 240.964 7.900E-20 1.000E+00\n 243.902 7.900E-20 1.000E+00\n 246.914 7.900E-20 1.000E+00\n 250.000 7.900E-20 1.000E+00\n 253.165 7.900E-20 1.000E+00\n 256.410 7.900E-20 1.000E+00\n 259.740 7.900E-20 1.000E+00\n 263.158 7.900E-20 1.000E+00\n 266.667 7.900E-20 1.000E+00\n 270.270 7.900E-20 1.000E+00\n 273.973 7.900E-20 1.000E+00\n 277.778 7.900E-20 1.000E+00\n 281.690 7.900E-20 1.000E+00\n 285.714 7.900E-20 1.000E+00\n 289.855 7.900E-20 1.000E+00\n 294.118 7.900E-20 1.000E+00\n 298.500 7.900E-20 1.000E+00\n 302.500 7.900E-20 1.000E+00\n 303.500 7.900E-20 1.000E+00\n 304.500 7.900E-20 1.000E+00\n 305.500 7.900E-20 1.000E+00\n 306.500 7.900E-20 1.000E+00\n 307.500 7.900E-20 1.000E+00\n 308.500 7.900E-20 1.000E+00\n 309.500 7.900E-20 1.000E+00\n 310.500 7.900E-20 1.000E+00\n 311.500 7.900E-20 1.000E+00\n 312.500 7.900E-20 1.000E+00\n 313.500 7.900E-20 1.000E+00\n 314.500 7.900E-20 1.000E+00\n 317.500 7.900E-20 1.000E+00\n 322.500 7.900E-20 1.000E+00\n 327.500 7.900E-20 1.000E+00\n 332.500 7.900E-20 1.000E+00\n 337.500 7.900E-20 1.000E+00\n 342.500 7.900E-20 1.000E+00\n 347.500 7.900E-20 1.000E+00\n 352.500 7.900E-20 5.000E-01\n 357.500 7.900E-20 0.000E+00\n 362.500 0.000E+00 0.000E+00\n\n" }, { "path": "UTIL/inline_phot_preproc/refractive_indices/IE_refractive_indices/Lambe_2013-naphthalene_SOA_refractive_indices.txt", "content": "NAPH_SOA\n!Refractive Indices for SOA materile from naphthalene\n! Based on \n!\n!Andrew T. Lambe, Christopher D. Cappa, Paola Massoli, Timothy B. Onasch, Sara D. Forestieri, Alexander T. Martin, Molly J. Cummings, David R. Croasdale, William H. Brune, Douglas R. Worsnop, and Paul Davidovits\n!nvironmental Science & Technology 2013 47 (12), 6349-6357\n!DOI: 10.1021/es401043j\n!\n! Values derived from the refractive index for naphthalene at 405 nm displayed in figure 6 for an o/c ration equal\n!to 0.4. The imaginary part was extrapolated using the Angstrom exponents in supplementary table S2 for O/C ratio of 0.5\n! Note that the exponent minus was actucally used becauase the table's values were for the Mass Absorption Coefficient.\n!wv,um m k\n0.150 1.65 0.0194\n0.210 1.65 0.0194\n0.215 1.65 0.0194\n0.220 1.65 0.0194\n0.225 1.65 0.0194\n0.230 1.65 0.0194\n0.235 1.65 0.0194\n0.240 1.65 0.0194\n0.245 1.65 0.0194\n0.250 1.65 0.0194\n0.255 1.65 0.0194\n0.260 1.65 0.0194\n0.265 1.65 0.0194\n0.270 1.65 0.0194\n0.275 1.65 0.0194\n0.280 1.65 0.0194\n0.285 1.65 0.0194\n0.290 1.65 0.0194\n0.295 1.65 0.0194\n0.300 1.65 0.0194\n0.305 1.65 0.0177\n0.310 1.65 0.0161\n0.315 1.65 0.0147\n0.320 1.65 0.0135\n0.325 1.65 0.0124\n0.330 1.65 0.0114\n0.335 1.65 0.0104\n0.340 1.65 0.0096\n0.345 1.65 0.0089\n0.350 1.65 0.0082\n0.355 1.65 0.0075\n0.360 1.65 0.0070\n0.365 1.65 0.0065\n0.370 1.65 0.0060\n0.375 1.65 0.0056\n0.380 1.65 0.0052\n0.385 1.65 0.0048\n0.390 1.65 0.0045\n0.395 1.65 0.0042\n0.400 1.65 0.0039\n0.405 1.65 0.0036\n0.410 1.65 0.0034\n0.415 1.65 0.0031\n0.420 1.65 0.0029\n0.425 1.65 0.0028\n0.430 1.65 0.0026\n0.435 1.65 0.0024\n0.440 1.65 0.0023\n0.445 1.65 0.0021\n0.450 1.65 0.0020\n0.455 1.65 0.0011\n0.460 1.65 0.0011\n0.465 1.65 0.0011\n0.470 1.65 0.0011\n0.475 1.65 0.0011\n0.480 1.65 0.0011\n0.485 1.65 0.0011\n0.490 1.65 0.0011\n0.495 1.65 0.0011\n0.500 1.65 0.0011\n0.505 1.65 0.0010\n0.510 1.65 0.0010\n0.515 1.65 0.0009\n0.520 1.65 0.0009\n0.525 1.65 0.0008\n0.530 1.65 0.0008\n0.535 1.65 0.0008\n0.540 1.65 0.0007\n0.545 1.65 0.0007\n0.550 1.65 0.0007\n0.555 1.65 0.0006\n0.560 1.65 0.0006\n0.565 1.65 0.0006\n0.570 1.65 0.0005\n0.575 1.65 0.0005\n0.580 1.65 0.0005\n0.585 1.65 0.0005\n0.590 1.65 0.0004\n0.595 1.65 0.0004\n0.600 1.65 0.0004\n0.605 1.65 0.0004\n0.610 1.65 0.0004\n0.615 1.65 0.0003\n0.620 1.65 0.0003\n0.625 1.65 0.0003\n0.630 1.65 0.0003\n0.635 1.65 0.0003\n0.640 1.65 0.0003\n0.645 1.65 0.0003\n0.650 1.65 0.0003\n0.655 1.65 0.0002\n0.660 1.65 0.0002\n0.665 1.65 0.0002\n0.670 1.65 0.0002\n0.675 1.65 0.0002\n0.680 1.65 0.0002\n0.685 1.65 0.0002\n0.690 1.65 0.0002\n0.695 1.65 0.0002\n0.700 1.65 0.0002\n0.705 1.65 0.0002\n0.710 1.65 0.0002\n0.715 1.65 0.0001\n0.720 1.65 0.0001\n0.725 1.65 0.0001\n0.730 1.65 0.0001\n0.735 1.65 0.0001\n0.740 1.65 0.0001\n0.745 1.65 0.0001\n0.750 1.65 0.0001\n0.755 1.65 0.0001\n0.760 1.65 0.0001\n0.765 1.65 0.0001\n1.200 1.65 0.0001\n" }, { "path": "UTIL/inline_phot_preproc/refractive_indices/IE_refractive_indices/Lui_2013_APIN_SOA_refractive_indices.txt", "content": "APINENE_SOA\n!Pengfei Liu, Yue Zhang, and Scot T. Martin\n!Complex Refractive Indices of Thin Films of Secondary Organic Materials by Spectroscopic Ellipsometry from 220 to 1200 nm\n!Environmental Science & Technology 2013 47 (23), 13594-13601\n!DOI: 10.1021/es403411e\n!\n!SOM type a-pinene\n!wvl,um n k\n0.150 1.6129 0.0088\n0.220 1.6129 0.0088\n0.225 1.6050 0.0069\n0.230 1.5978 0.0065\n0.235 1.5912 0.0055\n0.240 1.5852 0.0037\n0.245 1.5797 0.0032\n0.250 1.5746 0.0029\n0.255 1.5699 0.0026\n0.260 1.5656 0.0024\n0.265 1.5615 0.0022\n0.270 1.5578 0.0026\n0.275 1.5544 0.0028\n0.280 1.5511 0.0030\n0.285 1.5481 0.0026\n0.290 1.5453 0.0020\n0.295 1.5427 0.0019\n0.300 1.5403 0.0018\n0.305 1.5380 0.0015\n0.310 1.5358 0.0012\n0.315 1.5338 0.0011\n0.320 1.5319 0.0009\n0.325 1.5301 0.0008\n0.330 1.5284 0.0007\n0.335 1.5267 0.0006\n0.340 1.5252 0.0006\n0.345 1.5238 0.0007\n0.350 1.5224 0.0005\n0.355 1.5211 0.0002\n0.360 1.5199 0.0001\n0.365 1.5188 0.0001\n0.370 1.5177 0.0002\n0.375 1.5166 0.0003\n0.380 1.5156 0.0002\n0.385 1.5146 0.0002\n0.390 1.5137 0.0001\n0.395 1.5129 0.0001\n0.400 1.5120 0.0001 \n0.405 1.5112 0.0001\n0.410 1.5105 0.0002\n0.415 1.5098 0.0003\n0.420 1.5091 0.0004\n0.425 1.5084 0.0003\n0.430 1.5077 0.0004\n0.435 1.5071 0.0005\n0.440 1.5065 0.0004\n0.445 1.5060 0.0002\n0.450 1.5054 0.0001\n0.455 1.5049 0.0000\n0.460 1.5044 0.0000\n0.465 1.5039 0.0000\n0.470 1.5034 0.0001\n0.475 1.5030 0.0000\n0.480 1.5026 0.0000\n0.485 1.5021 0.0000\n0.490 1.5017 0.0000\n0.495 1.5013 0.0000\n0.500 1.5010 0.0000\n0.505 1.5006 0.0000\n0.510 1.5002 0.0001\n0.515 1.4999 0.0001\n0.520 1.4996 0.0001\n0.525 1.4993 0.0001\n0.530 1.4990 0.0001\n0.535 1.4987 0.0001\n0.540 1.4984 0.0001\n0.545 1.4981 0.0001\n0.550 1.4978 0.0001\n0.555 1.4975 0.0001\n0.560 1.4973 0.0001\n0.565 1.4970 0.0001\n0.570 1.4968 0.0002\n0.575 1.4966 0.0002\n0.580 1.4963 0.0002\n0.585 1.4961 0.0002\n0.590 1.4959 0.0002\n0.595 1.4957 0.0003\n0.600 1.4955 0.0004\n0.605 1.4953 0.0004\n0.610 1.4951 0.0004\n0.615 1.4949 0.0003\n0.620 1.4947 0.0003\n0.625 1.4945 0.0003 \n0.630 1.4944 0.0003\n0.635 1.4942 0.0003\n0.640 1.4940 0.0003\n0.645 1.4939 0.0003\n0.650 1.4937 0.0004\n0.655 1.4936 0.0004\n0.660 1.4934 0.0004\n0.665 1.4933 0.0004\n0.670 1.4931 0.0004\n0.675 1.4930 0.0004\n0.680 1.4929 0.0004\n0.685 1.4927 0.0004\n0.690 1.4926 0.0004\n0.695 1.4925 0.0004\n0.700 1.4924 0.0004\n0.705 1.4922 0.0004\n0.710 1.4921 0.0004\n0.715 1.4920 0.0004\n0.720 1.4919 0.0003\n0.725 1.4918 0.0003\n0.730 1.4917 0.0003\n0.735 1.4916 0.0003\n0.740 1.4915 0.0003\n0.745 1.4914 0.0003\n0.750 1.4913 0.0002\n0.755 1.4912 0.0002\n0.760 1.4911 0.0002\n0.765 1.4910 0.0002\n0.770 1.4909 0.0002\n0.775 1.4908 0.0001\n0.780 1.4907 0.0001\n0.785 1.4906 0.0001\n0.790 1.4906 0.0001\n0.795 1.4905 0.0001\n0.800 1.4904 0.0001\n0.805 1.4903 0.0001\n0.810 1.4903 0.0001\n0.815 1.4902 0.0001\n0.820 1.4901 0.0001\n0.825 1.4900 0.0001\n0.830 1.4900 0.0001\n0.835 1.4899 0.0001\n0.840 1.4898 0.0000\n0.845 1.4898 0.0000\n0.850 1.4897 0.0001 \n0.855 1.4896 0.0000\n0.860 1.4896 0.0000\n0.865 1.4895 0.0000\n0.870 1.4894 0.0000\n0.875 1.4894 0.0000\n0.880 1.4893 0.0000\n0.885 1.4893 0.0000\n0.890 1.4892 0.0000\n0.895 1.4892 0.0000\n0.900 1.4891 0.0000\n0.905 1.4890 0.0000\n0.910 1.4890 0.0000\n0.915 1.4889 0.0000\n0.920 1.4889 0.0000\n0.925 1.4888 0.0000\n0.930 1.4888 0.0000\n0.935 1.4887 0.0000\n0.940 1.4887 0.0000\n0.945 1.4886 0.0000\n0.950 1.4886 0.0000\n0.955 1.4886 0.0000\n0.960 1.4885 0.0000\n0.965 1.4885 0.0000\n0.970 1.4884 0.0000\n0.975 1.4884 0.0000\n0.980 1.4883 0.0000\n0.985 1.4883 0.0000\n0.990 1.4883 0.0001\n0.995 1.4882 0.0001\n1.000 1.4882 0.0001\n1.005 1.4882 0.0001\n1.010 1.4882 0.0001\n1.015 1.4882 0.0001\n1.020 1.4882 0.0001\n1.025 1.4882 0.0001\n1.030 1.4882 0.0001\n1.035 1.4882 0.0001\n1.040 1.4882 0.0001\n1.045 1.4882 0.0001\n1.050 1.4882 0.0001\n1.055 1.4882 0.0001\n1.060 1.4882 0.0001\n1.065 1.4882 0.0001\n1.070 1.4882 0.0001\n1.075 1.4882 0.0001 \n1.080 1.4882 0.0001\n1.085 1.4882 0.0001\n1.090 1.4882 0.0001\n1.095 1.4882 0.0001\n1.100 1.4882 0.0001\n1.105 1.4882 0.0001\n1.110 1.4882 0.0001\n1.115 1.4882 0.0001\n1.120 1.4882 0.0001\n1.125 1.4882 0.0001\n1.130 1.4882 0.0001\n1.135 1.4882 0.0001\n1.140 1.4882 0.0001\n1.145 1.4882 0.0001\n1.150 1.4882 0.0001\n1.155 1.4882 0.0001\n1.160 1.4882 0.0001\n1.165 1.4882 0.0001\n1.170 1.4882 0.0001\n1.175 1.4882 0.0001\n1.180 1.4882 0.0001\n1.185 1.4882 0.0001\n1.190 1.4882 0.0001\n1.195 1.4882 0.0001\n1.200 1.4882 0.0001 \n" }, { "path": "UTIL/inline_phot_preproc/refractive_indices/IE_refractive_indices/Lui_2013_Limonene_SOA_refractive_indices.txt", "content": "LIMONENE_SOA\n!Pengfei Liu, Yue Zhang, and Scot T. Martin\n!Complex Refractive Indices of Thin Films of Secondary Organic Materials by Spectroscopic Ellipsometry from 220 to 1200 nm\n!Environmental Science & Technology 2013 47 (23), 13594-13601\n!DOI: 10.1021/es403411e\n!\n!SOM type limonene \n!wvl,um n k \n0.150 1.6152 0.0050 \n0.220 1.6152 0.0050 \n0.225 1.6079 0.0041 \n0.230 1.6011 0.0039 \n0.235 1.5950 0.0036 \n0.240 1.5893 0.0031 \n0.245 1.5841 0.0029 \n0.250 1.5792 0.0026 \n0.255 1.5747 0.0024 \n0.260 1.5706 0.0027 \n0.265 1.5668 0.0027 \n0.270 1.5632 0.0024 \n0.275 1.5598 0.0024 \n0.280 1.5567 0.0024 \n0.285 1.5538 0.0018 \n0.290 1.5511 0.0013 \n0.295 1.5485 0.0012 \n0.300 1.5461 0.0009 \n0.305 1.5439 0.0008 \n0.310 1.5418 0.0009 \n0.315 1.5398 0.0007 \n0.320 1.5379 0.0002 \n0.325 1.5361 0.0004 \n0.330 1.5344 0.0005 \n0.335 1.5328 0.0003 \n0.340 1.5313 0.0003 \n0.345 1.5299 0.0004 \n0.350 1.5285 0.0003 \n0.355 1.5272 0.0001 \n0.360 1.5260 0.0000 \n0.365 1.5248 0.0000 \n0.370 1.5237 0.0001 \n0.375 1.5227 0.0000 \n0.380 1.5217 0.0002 \n0.385 1.5207 0.0002 \n0.390 1.5198 0.0004 \n0.395 1.5189 0.0003 \n0.400 1.5180 0.0000 \n0.405 1.5172 0.0001 \n0.410 1.5165 0.0002 \n0.415 1.5157 0.0002 \n0.420 1.5150 0.0001 \n0.425 1.5143 0.0001 \n0.430 1.5137 0.0000 \n0.435 1.5130 0.0000 \n0.440 1.5124 0.0001 \n0.445 1.5118 0.0001 \n0.450 1.5113 0.0001 \n0.455 1.5107 0.0001 \n0.460 1.5102 0.0001 \n0.465 1.5097 0.0000 \n0.470 1.5092 0.0000 \n0.475 1.5088 0.0000 \n0.480 1.5083 0.0000 \n0.485 1.5079 0.0000 \n0.490 1.5074 0.0000 \n0.495 1.5070 0.0000 \n0.500 1.5066 0.0000 \n0.505 1.5063 0.0000 \n0.510 1.5059 0.0001 \n0.515 1.5055 0.0000 \n0.520 1.5052 0.0001 \n0.525 1.5049 0.0000 \n0.530 1.5045 0.0001 \n0.535 1.5042 0.0005 \n0.540 1.5039 0.0004 \n0.545 1.5036 0.0003 \n0.550 1.5033 0.0000 \n0.555 1.5031 0.0001 \n0.560 1.5028 0.0001 \n0.565 1.5025 0.0001 \n0.570 1.5023 0.0001 \n0.575 1.5020 0.0001 \n0.580 1.5018 0.0000 \n0.585 1.5015 0.0000 \n0.590 1.5013 0.0001 \n0.595 1.5011 0.0001 \n0.600 1.5009 0.0002 \n0.605 1.5007 0.0002 \n0.610 1.5005 0.0002 \n0.615 1.5003 0.0003 \n0.620 1.5001 0.0003 \n0.625 1.4999 0.0003 \n0.630 1.4997 0.0003 \n0.635 1.4995 0.0003 \n0.640 1.4994 0.0004 \n0.645 1.4992 0.0004 \n0.650 1.4990 0.0005 \n0.655 1.4989 0.0005 \n0.660 1.4987 0.0006 \n0.665 1.4985 0.0006 \n0.670 1.4984 0.0006 \n0.675 1.4982 0.0006 \n0.680 1.4981 0.0006 \n0.685 1.4980 0.0006 \n0.690 1.4978 0.0006 \n0.695 1.4977 0.0006 \n0.700 1.4976 0.0006 \n0.705 1.4974 0.0006 \n0.710 1.4973 0.0006 \n0.715 1.4972 0.0006 \n0.720 1.4971 0.0005 \n0.725 1.4969 0.0005 \n0.730 1.4968 0.0005 \n0.735 1.4967 0.0005 \n0.740 1.4966 0.0005 \n0.745 1.4965 0.0004 \n0.750 1.4964 0.0004 \n0.755 1.4963 0.0004 \n0.760 1.4962 0.0003 \n0.765 1.4961 0.0003 \n0.770 1.4960 0.0002 \n0.775 1.4959 0.0002 \n0.780 1.4958 0.0002 \n0.785 1.4957 0.0002 \n0.790 1.4956 0.0001 \n0.795 1.4955 0.0001 \n0.800 1.4955 0.0001 \n0.805 1.4954 0.0001 \n0.810 1.4953 0.0001 \n0.815 1.4952 0.0001 \n0.820 1.4951 0.0001 \n0.825 1.4950 0.0001 \n0.830 1.4950 0.0000 \n0.835 1.4949 0.0001 \n0.840 1.4948 0.0003 \n0.845 1.4948 0.0001 \n0.850 1.4947 0.0001 \n0.855 1.4946 0.0001 \n0.860 1.4945 0.0000 \n0.865 1.4945 0.0000 \n0.870 1.4944 0.0000 \n0.875 1.4943 0.0002 \n0.880 1.4943 0.0006 \n0.885 1.4942 0.0004 \n0.890 1.4942 0.0001 \n0.895 1.4941 0.0001 \n0.900 1.4940 0.0000 \n0.905 1.4940 0.0000 \n0.910 1.4939 0.0000 \n0.915 1.4939 0.0000 \n0.920 1.4938 0.0000 \n0.925 1.4938 0.0000 \n0.930 1.4937 0.0000 \n0.935 1.4937 0.0000 \n0.940 1.4936 0.0000 \n0.945 1.4935 0.0000 \n0.950 1.4935 0.0000 \n0.955 1.4935 0.0000 \n0.960 1.4934 0.0000 \n0.965 1.4934 0.0000 \n0.970 1.4933 0.0000 \n0.975 1.4933 0.0000 \n0.980 1.4932 0.0000 \n0.985 1.4932 0.0000 \n0.990 1.4931 0.0000 \n0.995 1.4931 0.0000 \n1.000 1.4930 0.0000 \n1.005 1.4930 0.0000 \n1.010 1.4930 0.0000 \n1.015 1.4929 0.0000 \n1.020 1.4929 0.0000 \n1.025 1.4928 0.0000 \n1.030 1.4928 0.0001 \n1.035 1.4928 0.0001 \n1.040 1.4927 0.0001 \n1.045 1.4927 0.0001 \n1.050 1.4926 0.0002 \n1.055 1.4926 0.0001 \n1.060 1.4926 0.0001 \n1.065 1.4925 0.0001 \n1.070 1.4925 0.0001 \n1.075 1.4925 0.0001 \n1.080 1.4924 0.0002 \n1.085 1.4924 0.0001 \n1.090 1.4924 0.0001 \n1.095 1.4923 0.0001 \n1.100 1.4923 0.0002 \n1.105 1.4923 0.0002 \n1.110 1.4922 0.0002 \n1.115 1.4922 0.0002 \n1.120 1.4922 0.0002 \n1.125 1.4922 0.0002 \n1.130 1.4921 0.0002 \n1.135 1.4921 0.0002 \n1.140 1.4921 0.0002 \n1.145 1.4920 0.0003 \n1.150 1.4920 0.0003 \n1.155 1.4920 0.0003 \n1.160 1.4920 0.0002 \n1.165 1.4919 0.0003 \n1.170 1.4919 0.0003 \n1.175 1.4919 0.0003 \n1.180 1.4919 0.0003 \n1.185 1.4918 0.0003 \n1.190 1.4918 0.0003 \n1.195 1.4918 0.0003 \n1.200 1.4918 0.0003 \n" }, { "path": "UTIL/inline_phot_preproc/refractive_indices/IE_refractive_indices/Lui_2013_catechol_SOA_refractive_indices.txt", "content": "!Pengfei Liu, Yue Zhang, and Scot T. Martin\n!Complex Refractive Indices of Thin Films of Secondary Organic Materials by Spectroscopic Ellipsometry from 220 to 1200 nm\n!Environmental Science & Technology 2013 47 (23), 13594-13601\n!DOI: 10.1021/es403411e\n!\n!SOM type catechol\n!wvl,um n k \n0.220 1.6374 0.0678\n0.225 1.6374 0.0678\n0.230 1.6374 0.0678\n0.235 1.6301 0.0558\n0.240 1.6234 0.0477\n0.245 1.6171 0.0422\n0.250 1.6113 0.0402\n0.255 1.6059 0.0391\n0.260 1.6009 0.0378\n0.265 1.5962 0.0365\n0.270 1.5918 0.0335\n0.275 1.5877 0.0303\n0.280 1.5839 0.0270\n0.285 1.5803 0.0239\n0.290 1.5769 0.0205\n0.295 1.5737 0.0180\n0.300 1.5707 0.0157\n0.305 1.5679 0.0139\n0.310 1.5652 0.0129\n0.315 1.5627 0.0118\n0.320 1.5603 0.0108\n0.325 1.5580 0.0101\n0.330 1.5558 0.0093\n0.335 1.5538 0.0088\n0.340 1.5519 0.0073\n0.345 1.5500 0.0059\n0.350 1.5483 0.0051\n0.355 1.5466 0.0042\n0.360 1.5450 0.0034\n0.365 1.5435 0.0028\n0.370 1.5420 0.0026\n0.375 1.5407 0.0027\n0.380 1.5393 0.0024\n0.385 1.5381 0.0021\n0.390 1.5368 0.0020\n0.395 1.5357 0.0020\n0.400 1.5346 0.0020 \n0.405 1.5335 0.0019\n0.410 1.5325 0.0016\n0.415 1.5315 0.0014\n0.420 1.5305 0.0012\n0.425 1.5296 0.0012\n0.430 1.5287 0.0012\n0.435 1.5279 0.0013\n0.440 1.5271 0.0012\n0.445 1.5263 0.0015\n0.450 1.5255 0.0015\n0.455 1.5248 0.0012\n0.460 1.5241 0.0010\n0.465 1.5234 0.0008\n0.470 1.5228 0.0007\n0.475 1.5221 0.0006\n0.480 1.5215 0.0006\n0.485 1.5209 0.0006\n0.490 1.5204 0.0004\n0.495 1.5198 0.0002\n0.500 1.5193 0.0001\n0.505 1.5188 0.0001\n0.510 1.5183 0.0001\n0.515 1.5178 0.0002\n0.520 1.5173 0.0003\n0.525 1.5168 0.0003\n0.530 1.5164 0.0004\n0.535 1.5160 0.0004\n0.540 1.5155 0.0004\n0.545 1.5151 0.0004\n0.550 1.5147 0.0004\n0.555 1.5144 0.0004\n0.560 1.5140 0.0003\n0.565 1.5136 0.0003\n0.570 1.5133 0.0003\n0.575 1.5129 0.0002\n0.580 1.5126 0.0002\n0.585 1.5123 0.0002\n0.590 1.5120 0.0001\n0.595 1.5116 0.0001\n0.600 1.5113 0.0001\n0.605 1.5111 0.0000\n0.610 1.5108 0.0000\n0.615 1.5105 0.0000\n0.620 1.5102 0.0000\n0.625 1.5100 0.0001 \n0.630 1.5097 0.0001\n0.635 1.5095 0.0001\n0.640 1.5092 0.0001\n0.645 1.5090 0.0001\n0.650 1.5087 0.0001\n0.655 1.5085 0.0001\n0.660 1.5083 0.0001\n0.665 1.5081 0.0001\n0.670 1.5079 0.0001\n0.675 1.5077 0.0001\n0.680 1.5075 0.0001\n0.685 1.5073 0.0001\n0.690 1.5071 0.0003\n0.695 1.5069 0.0004\n0.700 1.5067 0.0005\n0.705 1.5065 0.0004\n0.710 1.5063 0.0003\n0.715 1.5062 0.0004\n0.720 1.5060 0.0006\n0.725 1.5058 0.0007\n0.730 1.5057 0.0008\n0.735 1.5055 0.0007\n0.740 1.5054 0.0006\n0.745 1.5052 0.0006\n0.750 1.5051 0.0005\n0.755 1.5049 0.0005\n0.760 1.5048 0.0005\n0.765 1.5046 0.0007\n0.770 1.5045 0.0005\n0.775 1.5044 0.0004\n0.780 1.5042 0.0003\n0.785 1.5041 0.0002\n0.790 1.5040 0.0003\n0.795 1.5039 0.0003\n0.800 1.5037 0.0003\n0.805 1.5036 0.0002\n0.810 1.5035 0.0002\n0.815 1.5034 0.0002\n0.820 1.5033 0.0002\n0.825 1.5032 0.0001\n0.830 1.5031 0.0001\n0.835 1.5029 0.0002\n0.840 1.5028 0.0001\n0.845 1.5027 0.0002\n0.850 1.5026 0.0002 \n0.855 1.5025 0.0002\n0.860 1.5024 0.0002\n0.865 1.5023 0.0002\n0.870 1.5023 0.0002\n0.875 1.5022 0.0002\n0.880 1.5021 0.0002\n0.885 1.5020 0.0001\n0.890 1.5019 0.0001\n0.895 1.5018 0.0001\n0.900 1.5017 0.0000\n0.905 1.5016 0.0001\n0.910 1.5016 0.0000\n0.915 1.5015 0.0003\n0.920 1.5014 0.0001\n0.925 1.5013 0.0002\n0.930 1.5012 0.0003\n0.935 1.5012 0.0003\n0.940 1.5011 0.0004\n0.945 1.5010 0.0004\n0.950 1.5010 0.0004\n0.955 1.5009 0.0004\n0.960 1.5008 0.0005\n0.965 1.5007 0.0005\n0.970 1.5007 0.0006\n0.975 1.5006 0.0006\n0.980 1.5006 0.0006\n0.985 1.5005 0.0005\n0.990 1.5004 0.0007\n0.995 1.5004 0.0006\n1.000 1.5003 0.0006\n1.005 1.5002 0.0006\n1.010 1.5002 0.0006\n1.015 1.5001 0.0006\n1.020 1.5001 0.0006\n1.025 1.5000 0.0007\n1.030 1.5000 0.0007\n1.035 1.4999 0.0007\n1.040 1.4998 0.0007\n1.045 1.4998 0.0007\n1.050 1.4997 0.0007\n1.055 1.4997 0.0006\n1.060 1.4996 0.0006\n1.065 1.4996 0.0006\n1.070 1.4995 0.0006\n1.075 1.4995 0.0006 \n1.080 1.4994 0.0007\n1.085 1.4994 0.0006\n1.090 1.4993 0.0006\n1.095 1.4993 0.0006\n1.100 1.4993 0.0006\n1.105 1.4992 0.0006\n1.110 1.4992 0.0006\n1.115 1.4991 0.0006\n1.120 1.4991 0.0005\n1.125 1.4990 0.0005\n1.130 1.4990 0.0005\n1.135 1.4990 0.0006\n1.140 1.4989 0.0006\n1.145 1.4989 0.0006\n1.150 1.4988 0.0005\n1.155 1.4988 0.0005\n1.160 1.4988 0.0004\n1.165 1.4987 0.0004\n1.170 1.4987 0.0004\n1.175 1.4986 0.0004\n1.180 1.4986 0.0004\n1.185 1.4986 0.0004\n1.190 1.4985 0.0003\n1.195 1.4985 0.0003\n1.200 1.4985 0.0002 \n" }, { "path": "UTIL/inline_phot_preproc/refractive_indices/IE_refractive_indices/Lui_2013_refractive_indices.txt", "content": "!Pengfei Liu, Yue Zhang, and Scot T. Martin\n!Complex Refractive Indices of Thin Films of Secondary Organic Materials by Spectroscopic Ellipsometry from 220 to 1200 nm\n!Environmental Science & Technology 2013 47 (23), 13594-13601\n!DOI: 10.1021/es403411e\n!\n!SOM type a-pinene limonene catechol\n!wvl,um n k n k n k\n0.220 1.6129 0.0088 1.6152 0.0050 1.6374 0.0678\n0.225 1.6050 0.0069 1.6079 0.0041 1.6374 0.0678\n0.230 1.5978 0.0065 1.6011 0.0039 1.6374 0.0678\n0.235 1.5912 0.0055 1.5950 0.0036 1.6301 0.0558\n0.240 1.5852 0.0037 1.5893 0.0031 1.6234 0.0477\n0.245 1.5797 0.0032 1.5841 0.0029 1.6171 0.0422\n0.250 1.5746 0.0029 1.5792 0.0026 1.6113 0.0402\n0.255 1.5699 0.0026 1.5747 0.0024 1.6059 0.0391\n0.260 1.5656 0.0024 1.5706 0.0027 1.6009 0.0378\n0.265 1.5615 0.0022 1.5668 0.0027 1.5962 0.0365\n0.270 1.5578 0.0026 1.5632 0.0024 1.5918 0.0335\n0.275 1.5544 0.0028 1.5598 0.0024 1.5877 0.0303\n0.280 1.5511 0.0030 1.5567 0.0024 1.5839 0.0270\n0.285 1.5481 0.0026 1.5538 0.0018 1.5803 0.0239\n0.290 1.5453 0.0020 1.5511 0.0013 1.5769 0.0205\n0.295 1.5427 0.0019 1.5485 0.0012 1.5737 0.0180\n0.300 1.5403 0.0018 1.5461 0.0009 1.5707 0.0157\n0.305 1.5380 0.0015 1.5439 0.0008 1.5679 0.0139\n0.310 1.5358 0.0012 1.5418 0.0009 1.5652 0.0129\n0.315 1.5338 0.0011 1.5398 0.0007 1.5627 0.0118\n0.320 1.5319 0.0009 1.5379 0.0002 1.5603 0.0108\n0.325 1.5301 0.0008 1.5361 0.0004 1.5580 0.0101\n0.330 1.5284 0.0007 1.5344 0.0005 1.5558 0.0093\n0.335 1.5267 0.0006 1.5328 0.0003 1.5538 0.0088\n0.340 1.5252 0.0006 1.5313 0.0003 1.5519 0.0073\n0.345 1.5238 0.0007 1.5299 0.0004 1.5500 0.0059\n0.350 1.5224 0.0005 1.5285 0.0003 1.5483 0.0051\n0.355 1.5211 0.0002 1.5272 0.0001 1.5466 0.0042\n0.360 1.5199 0.0001 1.5260 0.0000 1.5450 0.0034\n0.365 1.5188 0.0001 1.5248 0.0000 1.5435 0.0028\n0.370 1.5177 0.0002 1.5237 0.0001 1.5420 0.0026\n0.375 1.5166 0.0003 1.5227 0.0000 1.5407 0.0027\n0.380 1.5156 0.0002 1.5217 0.0002 1.5393 0.0024\n0.385 1.5146 0.0002 1.5207 0.0002 1.5381 0.0021\n0.390 1.5137 0.0001 1.5198 0.0004 1.5368 0.0020\n0.395 1.5129 0.0001 1.5189 0.0003 1.5357 0.0020\n0.400 1.5120 0.0001 1.5180 0.0000 1.5346 0.0020 \n0.405 1.5112 0.0001 1.5172 0.0001 1.5335 0.0019\n0.410 1.5105 0.0002 1.5165 0.0002 1.5325 0.0016\n0.415 1.5098 0.0003 1.5157 0.0002 1.5315 0.0014\n0.420 1.5091 0.0004 1.5150 0.0001 1.5305 0.0012\n0.425 1.5084 0.0003 1.5143 0.0001 1.5296 0.0012\n0.430 1.5077 0.0004 1.5137 0.0000 1.5287 0.0012\n0.435 1.5071 0.0005 1.5130 0.0000 1.5279 0.0013\n0.440 1.5065 0.0004 1.5124 0.0001 1.5271 0.0012\n0.445 1.5060 0.0002 1.5118 0.0001 1.5263 0.0015\n0.450 1.5054 0.0001 1.5113 0.0001 1.5255 0.0015\n0.455 1.5049 0.0000 1.5107 0.0001 1.5248 0.0012\n0.460 1.5044 0.0000 1.5102 0.0001 1.5241 0.0010\n0.465 1.5039 0.0000 1.5097 0.0000 1.5234 0.0008\n0.470 1.5034 0.0001 1.5092 0.0000 1.5228 0.0007\n0.475 1.5030 0.0000 1.5088 0.0000 1.5221 0.0006\n0.480 1.5026 0.0000 1.5083 0.0000 1.5215 0.0006\n0.485 1.5021 0.0000 1.5079 0.0000 1.5209 0.0006\n0.490 1.5017 0.0000 1.5074 0.0000 1.5204 0.0004\n0.495 1.5013 0.0000 1.5070 0.0000 1.5198 0.0002\n0.500 1.5010 0.0000 1.5066 0.0000 1.5193 0.0001\n0.505 1.5006 0.0000 1.5063 0.0000 1.5188 0.0001\n0.510 1.5002 0.0001 1.5059 0.0001 1.5183 0.0001\n0.515 1.4999 0.0001 1.5055 0.0000 1.5178 0.0002\n0.520 1.4996 0.0001 1.5052 0.0001 1.5173 0.0003\n0.525 1.4993 0.0001 1.5049 0.0000 1.5168 0.0003\n0.530 1.4990 0.0001 1.5045 0.0001 1.5164 0.0004\n0.535 1.4987 0.0001 1.5042 0.0005 1.5160 0.0004\n0.540 1.4984 0.0001 1.5039 0.0004 1.5155 0.0004\n0.545 1.4981 0.0001 1.5036 0.0003 1.5151 0.0004\n0.550 1.4978 0.0001 1.5033 0.0000 1.5147 0.0004\n0.555 1.4975 0.0001 1.5031 0.0001 1.5144 0.0004\n0.560 1.4973 0.0001 1.5028 0.0001 1.5140 0.0003\n0.565 1.4970 0.0001 1.5025 0.0001 1.5136 0.0003\n0.570 1.4968 0.0002 1.5023 0.0001 1.5133 0.0003\n0.575 1.4966 0.0002 1.5020 0.0001 1.5129 0.0002\n0.580 1.4963 0.0002 1.5018 0.0000 1.5126 0.0002\n0.585 1.4961 0.0002 1.5015 0.0000 1.5123 0.0002\n0.590 1.4959 0.0002 1.5013 0.0001 1.5120 0.0001\n0.595 1.4957 0.0003 1.5011 0.0001 1.5116 0.0001\n0.600 1.4955 0.0004 1.5009 0.0002 1.5113 0.0001\n0.605 1.4953 0.0004 1.5007 0.0002 1.5111 0.0000\n0.610 1.4951 0.0004 1.5005 0.0002 1.5108 0.0000\n0.615 1.4949 0.0003 1.5003 0.0003 1.5105 0.0000\n0.620 1.4947 0.0003 1.5001 0.0003 1.5102 0.0000\n0.625 1.4945 0.0003 1.4999 0.0003 1.5100 0.0001 \n0.630 1.4944 0.0003 1.4997 0.0003 1.5097 0.0001\n0.635 1.4942 0.0003 1.4995 0.0003 1.5095 0.0001\n0.640 1.4940 0.0003 1.4994 0.0004 1.5092 0.0001\n0.645 1.4939 0.0003 1.4992 0.0004 1.5090 0.0001\n0.650 1.4937 0.0004 1.4990 0.0005 1.5087 0.0001\n0.655 1.4936 0.0004 1.4989 0.0005 1.5085 0.0001\n0.660 1.4934 0.0004 1.4987 0.0006 1.5083 0.0001\n0.665 1.4933 0.0004 1.4985 0.0006 1.5081 0.0001\n0.670 1.4931 0.0004 1.4984 0.0006 1.5079 0.0001\n0.675 1.4930 0.0004 1.4982 0.0006 1.5077 0.0001\n0.680 1.4929 0.0004 1.4981 0.0006 1.5075 0.0001\n0.685 1.4927 0.0004 1.4980 0.0006 1.5073 0.0001\n0.690 1.4926 0.0004 1.4978 0.0006 1.5071 0.0003\n0.695 1.4925 0.0004 1.4977 0.0006 1.5069 0.0004\n0.700 1.4924 0.0004 1.4976 0.0006 1.5067 0.0005\n0.705 1.4922 0.0004 1.4974 0.0006 1.5065 0.0004\n0.710 1.4921 0.0004 1.4973 0.0006 1.5063 0.0003\n0.715 1.4920 0.0004 1.4972 0.0006 1.5062 0.0004\n0.720 1.4919 0.0003 1.4971 0.0005 1.5060 0.0006\n0.725 1.4918 0.0003 1.4969 0.0005 1.5058 0.0007\n0.730 1.4917 0.0003 1.4968 0.0005 1.5057 0.0008\n0.735 1.4916 0.0003 1.4967 0.0005 1.5055 0.0007\n0.740 1.4915 0.0003 1.4966 0.0005 1.5054 0.0006\n0.745 1.4914 0.0003 1.4965 0.0004 1.5052 0.0006\n0.750 1.4913 0.0002 1.4964 0.0004 1.5051 0.0005\n0.755 1.4912 0.0002 1.4963 0.0004 1.5049 0.0005\n0.760 1.4911 0.0002 1.4962 0.0003 1.5048 0.0005\n0.765 1.4910 0.0002 1.4961 0.0003 1.5046 0.0007\n0.770 1.4909 0.0002 1.4960 0.0002 1.5045 0.0005\n0.775 1.4908 0.0001 1.4959 0.0002 1.5044 0.0004\n0.780 1.4907 0.0001 1.4958 0.0002 1.5042 0.0003\n0.785 1.4906 0.0001 1.4957 0.0002 1.5041 0.0002\n0.790 1.4906 0.0001 1.4956 0.0001 1.5040 0.0003\n0.795 1.4905 0.0001 1.4955 0.0001 1.5039 0.0003\n0.800 1.4904 0.0001 1.4955 0.0001 1.5037 0.0003\n0.805 1.4903 0.0001 1.4954 0.0001 1.5036 0.0002\n0.810 1.4903 0.0001 1.4953 0.0001 1.5035 0.0002\n0.815 1.4902 0.0001 1.4952 0.0001 1.5034 0.0002\n0.820 1.4901 0.0001 1.4951 0.0001 1.5033 0.0002\n0.825 1.4900 0.0001 1.4950 0.0001 1.5032 0.0001\n0.830 1.4900 0.0001 1.4950 0.0000 1.5031 0.0001\n0.835 1.4899 0.0001 1.4949 0.0001 1.5029 0.0002\n0.840 1.4898 0.0000 1.4948 0.0003 1.5028 0.0001\n0.845 1.4898 0.0000 1.4948 0.0001 1.5027 0.0002\n0.850 1.4897 0.0001 1.4947 0.0001 1.5026 0.0002 \n0.855 1.4896 0.0000 1.4946 0.0001 1.5025 0.0002\n0.860 1.4896 0.0000 1.4945 0.0000 1.5024 0.0002\n0.865 1.4895 0.0000 1.4945 0.0000 1.5023 0.0002\n0.870 1.4894 0.0000 1.4944 0.0000 1.5023 0.0002\n0.875 1.4894 0.0000 1.4943 0.0002 1.5022 0.0002\n0.880 1.4893 0.0000 1.4943 0.0006 1.5021 0.0002\n0.885 1.4893 0.0000 1.4942 0.0004 1.5020 0.0001\n0.890 1.4892 0.0000 1.4942 0.0001 1.5019 0.0001\n0.895 1.4892 0.0000 1.4941 0.0001 1.5018 0.0001\n0.900 1.4891 0.0000 1.4940 0.0000 1.5017 0.0000\n0.905 1.4890 0.0000 1.4940 0.0000 1.5016 0.0001\n0.910 1.4890 0.0000 1.4939 0.0000 1.5016 0.0000\n0.915 1.4889 0.0000 1.4939 0.0000 1.5015 0.0003\n0.920 1.4889 0.0000 1.4938 0.0000 1.5014 0.0001\n0.925 1.4888 0.0000 1.4938 0.0000 1.5013 0.0002\n0.930 1.4888 0.0000 1.4937 0.0000 1.5012 0.0003\n0.935 1.4887 0.0000 1.4937 0.0000 1.5012 0.0003\n0.940 1.4887 0.0000 1.4936 0.0000 1.5011 0.0004\n0.945 1.4886 0.0000 1.4935 0.0000 1.5010 0.0004\n0.950 1.4886 0.0000 1.4935 0.0000 1.5010 0.0004\n0.955 1.4886 0.0000 1.4935 0.0000 1.5009 0.0004\n0.960 1.4885 0.0000 1.4934 0.0000 1.5008 0.0005\n0.965 1.4885 0.0000 1.4934 0.0000 1.5007 0.0005\n0.970 1.4884 0.0000 1.4933 0.0000 1.5007 0.0006\n0.975 1.4884 0.0000 1.4933 0.0000 1.5006 0.0006\n0.980 1.4883 0.0000 1.4932 0.0000 1.5006 0.0006\n0.985 1.4883 0.0000 1.4932 0.0000 1.5005 0.0005\n0.990 1.4883 0.0001 1.4931 0.0000 1.5004 0.0007\n0.995 1.4882 0.0001 1.4931 0.0000 1.5004 0.0006\n1.000 1.4882 0.0001 1.4930 0.0000 1.5003 0.0006\n1.005 1.4882 0.0001 1.4930 0.0000 1.5002 0.0006\n1.010 1.4882 0.0001 1.4930 0.0000 1.5002 0.0006\n1.015 1.4882 0.0001 1.4929 0.0000 1.5001 0.0006\n1.020 1.4882 0.0001 1.4929 0.0000 1.5001 0.0006\n1.025 1.4882 0.0001 1.4928 0.0000 1.5000 0.0007\n1.030 1.4882 0.0001 1.4928 0.0001 1.5000 0.0007\n1.035 1.4882 0.0001 1.4928 0.0001 1.4999 0.0007\n1.040 1.4882 0.0001 1.4927 0.0001 1.4998 0.0007\n1.045 1.4882 0.0001 1.4927 0.0001 1.4998 0.0007\n1.050 1.4882 0.0001 1.4926 0.0002 1.4997 0.0007\n1.055 1.4882 0.0001 1.4926 0.0001 1.4997 0.0006\n1.060 1.4882 0.0001 1.4926 0.0001 1.4996 0.0006\n1.065 1.4882 0.0001 1.4925 0.0001 1.4996 0.0006\n1.070 1.4882 0.0001 1.4925 0.0001 1.4995 0.0006\n1.075 1.4882 0.0001 1.4925 0.0001 1.4995 0.0006 \n1.080 1.4882 0.0001 1.4924 0.0002 1.4994 0.0007\n1.085 1.4882 0.0001 1.4924 0.0001 1.4994 0.0006\n1.090 1.4882 0.0001 1.4924 0.0001 1.4993 0.0006\n1.095 1.4882 0.0001 1.4923 0.0001 1.4993 0.0006\n1.100 1.4882 0.0001 1.4923 0.0002 1.4993 0.0006\n1.105 1.4882 0.0001 1.4923 0.0002 1.4992 0.0006\n1.110 1.4882 0.0001 1.4922 0.0002 1.4992 0.0006\n1.115 1.4882 0.0001 1.4922 0.0002 1.4991 0.0006\n1.120 1.4882 0.0001 1.4922 0.0002 1.4991 0.0005\n1.125 1.4882 0.0001 1.4922 0.0002 1.4990 0.0005\n1.130 1.4882 0.0001 1.4921 0.0002 1.4990 0.0005\n1.135 1.4882 0.0001 1.4921 0.0002 1.4990 0.0006\n1.140 1.4882 0.0001 1.4921 0.0002 1.4989 0.0006\n1.145 1.4882 0.0001 1.4920 0.0003 1.4989 0.0006\n1.150 1.4882 0.0001 1.4920 0.0003 1.4988 0.0005\n1.155 1.4882 0.0001 1.4920 0.0003 1.4988 0.0005\n1.160 1.4882 0.0001 1.4920 0.0002 1.4988 0.0004\n1.165 1.4882 0.0001 1.4919 0.0003 1.4987 0.0004\n1.170 1.4882 0.0001 1.4919 0.0003 1.4987 0.0004\n1.175 1.4882 0.0001 1.4919 0.0003 1.4986 0.0004\n1.180 1.4882 0.0001 1.4919 0.0003 1.4986 0.0004\n1.185 1.4882 0.0001 1.4918 0.0003 1.4986 0.0004\n1.190 1.4882 0.0001 1.4918 0.0003 1.4985 0.0003\n1.195 1.4882 0.0001 1.4918 0.0003 1.4985 0.0003\n1.200 1.4882 0.0001 1.4918 0.0003 1.4985 0.0002 \n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n" }, { "path": "UTIL/inline_phot_preproc/refractive_indices/IE_refractive_indices/Lui_2015_refractive_indices.txt", "content": "P. F. Liu, N. Abdelmalki, H.-M. Hung, Y. Wang, W. H. Brune and S. T. Martin\nUltraviolet and visible complex refractive indices of secondary organic \nmaterial produced by photooxidation of the aromatic compounds toluene and m-xylene\nAtmos. Chem. Phys., 15, 1435-1446, 2015\nwww.atmos-chem-phys.net/15/1435/2015/\ndoi:10.5194/acp-15-1435-2015\n\n Imaginary Refractive Index\nSOM: Toluene-derived m-Xylene-derived SOM\nNO(ppm) 0 2.5 5.0 10.0 0.0 2.5 5.0 10.0\nwl(nm) A1 A2 A3 A4 B1 B2 B3 B4\n280 0.0262 0.0326 0.0365 0.0400 0.0267 0.0261 0.0268 0.0265\n285 0.0241 0.0309 0.0349 0.0387 0.0245 0.0242 0.0250 0.0252\n290 0.0217 0.0291 0.0332 0.0373 0.0215 0.0217 0.0226 0.0235\n295 0.0193 0.0275 0.0315 0.0361 0.0179 0.0187 0.0197 0.0214\n300 0.0171 0.0261 0.0301 0.0351 0.0143 0.0159 0.0169 0.0193\n305 0.0153 0.0249 0.0289 0.0343 0.0115 0.0137 0.0147 0.0176\n310 0.0137 0.0238 0.0279 0.0337 0.0095 0.0121 0.0131 0.0163\n315 0.0124 0.0228 0.0270 0.0333 0.0081 0.0110 0.0120 0.0153\n320 0.0114 0.0217 0.0259 0.0327 0.0071 0.0101 0.0112 0.0146\n325 0.0104 0.0204 0.0247 0.0320 0.0063 0.0093 0.0104 0.0139\n330 0.0094 0.0191 0.0233 0.0312 0.0056 0.0086 0.0097 0.0133\n335 0.0086 0.0175 0.0219 0.0302 0.0049 0.0078 0.0089 0.0125\n340 0.0077 0.0160 0.0203 0.0290 0.0044 0.0071 0.0082 0.0117\n345 0.0069 0.0145 0.0188 0.0277 0.0038 0.0064 0.0074 0.0108\n350 0.0062 0.0132 0.0173 0.0263 0.0034 0.0057 0.0066 0.0099\n355 0.0055 0.0119 0.0158 0.0247 0.0030 0.0051 0.0059 0.0090\n360 0.0050 0.0107 0.0146 0.0234 0.0027 0.0045 0.0053 0.0083\n365 0.0044 0.0096 0.0132 0.0219 0.0023 0.0039 0.0047 0.0074\n370 0.0039 0.0086 0.0120 0.0206 0.0020 0.0034 0.0041 0.0067\n375 0.0035 0.0077 0.0109 0.0195 0.0018 0.0029 0.0037 0.0060\n380 0.0031 0.0069 0.0100 0.0187 0.0016 0.0026 0.0032 0.0054\n385 0.0027 0.0062 0.0091 0.0178 0.0014 0.0022 0.0028 0.0049\n390 0.0024 0.0056 0.0083 0.0169 0.0012 0.0019 0.0025 0.0044\n395 0.0022 0.0050 0.0077 0.0163 0.0010 0.0016 0.0021 0.0039\n400 0.0020 0.0046 0.0071 0.0158 0.0009 0.0014 0.0018 0.0034\n405 0.0017 0.0041 0.0066 0.0153 0.0008 0.0012 0.0016 0.0030\n410 0.0016 0.0037 0.0060 0.0144 0.0007 0.0010 0.0014 0.0026\n415 0.0014 0.0034 0.0056 0.0139 0.0006 0.0008 0.0012 0.0023\n420 0.0013 0.0031 0.0052 0.0134 0.0006 0.0007 0.0010 0.0021\n425 0.0012 0.0028 0.0048 0.0129 0.0005 0.0006 0.0008 0.0018\n430 0.0011 0.0026 0.0047 0.0126 0.0005 0.0005 0.0007 0.0016\n435 0.0010 0.0023 0.0041 0.0116 0.0005 0.0005 0.0006 0.0014\n440 0.0010 0.0021 0.0038 0.0113 0.0004 0.0004 0.0005 0.0012\n445 0.0009 0.0019 0.0035 0.0107 0.0004 0.0004 0.0004 0.0011\n450 0.0008 0.0016 0.0031 0.0098 0.0004 0.0003 0.0004 0.0009\n455 0.0008 0.0014 0.0027 0.0089 0.0003 0.0002 0.0003 0.0009\n460 0.0008 0.0012 0.0025 0.0081 0.0003 0.0002 0.0002 0.0007\n465 0.0008 0.0011 0.0022 0.0075 0.0003 0.0002 0.0002 0.0007\n470 0.0007 0.0008 0.0017 0.0063 0.0002 0.0001 0.0002 0.0006\n475 0.0007 0.0007 0.0015 0.0059 0.0002 0.0001 0.0001 0.0005\n480 0.0007 0.0006 0.0013 0.0054 0.0002 0.0001 0.0001 0.0004\n485 0.0007 0.0004 0.0012 0.0053 0.0002 0.0000 0.0002 0.0004\n490 0.0006 0.0003 0.0010 0.0045 0.0002 0.0000 0.0000 0.0003\n495 0.0005 0.0002 0.0007 0.0039 0.0002 0.0000 0.0000 0.0003\n500 0.0006 0.0001 0.0006 0.0034 0.0001 0.0000 0.0000 0.0003\n505 0.0005 0.0000 0.0004 0.0029 0.0001 0.0000 0.0000 0.0002\n510 0.0005 0.0000 0.0003 0.0023 0.0001 0.0000 0.0000 0.0002\n515 0.0004 0.0000 0.0001 0.0017 0.0001 0.0000 0.0000 0.0002\n520 0.0004 0.0000 0.0000 0.0013 0.0001 0.0000 0.0000 0.0001\n525 0.0004 0.0000 0.0000 0.0010 0.0001 0.0000 0.0000 0.0001\n530 0.0003 0.0000 0.0000 0.0008 0.0001 0.0000 0.0000 0.0001\n535 0.0003 0.0000 0.0000 0.0007 0.0001 0.0000 0.0000 0.0001\n540 0.0004 0.0000 0.0000 0.0005 0.0001 0.0000 0.0000 0.0001\n545 0.0003 0.0000 0.0000 0.0004 0.0001 0.0000 0.0000 0.0001\n550 0.0003 0.0000 0.0000 0.0004 0.0001 0.0000 0.0000 0.0001\n555 0.0003 0.0000 0.0000 0.0004 0.0001 0.0000 0.0000 0.0001\n560 0.0003 0.0000 0.0000 0.0003 0.0001 0.0000 0.0000 0.0001\n\nParameters for Cauchy's equation\n n(lambda(um)) = B + C /lambda**2 + D /lambda**4\nfor the wavelength-dependent real refractive index n of toluene- and m-xylene-derived SOMs for several initial NO (ppm)\nA1 Toluene 0.0 1.505 7.57e-3 -1.17e-4\nA2 Toluene 2.5 1.514 6.87e-3 -1.16e-4\nA3 Toluene 5.0 1.513 9.07e-3 -1.72e-4\nA4 Toluene 10.0 1.519 1.03e-2 -2.91e-4\nB1 m-Xylene 0.0 1.499 4.59e-3 9.84e-5\nB2 m-Xylene 2.5 1.500 5.53e-3 3.63e-5\nB3 m-Xylene 5.0 1.501 7.77e-3 1.45e-5\nB4 m-Xylene 10.0 1.510 1.07e-2 -2.60e-4\n\n!Notes: Below 280 nm, the imaginary part, k, is extrapolted using the angstrom exponent derived from values at 275 and\n!280 nm. Above 580 nm, k is set to value at 560 nm, the angstrom exponent is set to zero.\n!\n\nWvl Tol_A1 Tol_A1 Tol_A2 Tol_A2 Tol_A3 Tol_A3 Tol_A4 Tol_A4 MXy_B1 MXy_B1 MXy_B2 MXy_B2 MXy_B3 MXy_B3 MXy_B4 MXy_B4\n(um) m k m k m k m k m k m k m k m k \n0.210 1.6165 0.1019 1.6101 0.0779 1.6302 0.0756 1.6029 0.0684 1.6537 0.1080 1.6441 0.0892 1.6846 0.0830 1.6189 0.0600\n0.220 1.6115 0.0818 1.6064 0.0676 1.6270 0.0672 1.6076 0.0627 1.6358 0.0862 1.6298 0.0731 1.6677 0.0691 1.6201 0.0526\n0.230 1.6063 0.0663 1.6024 0.0591 1.6230 0.0601 1.6097 0.0577 1.6209 0.0694 1.6175 0.0605 1.6531 0.0580 1.6194 0.0463\n0.240 1.6012 0.0542 1.5983 0.0520 1.6186 0.0539 1.6101 0.0533 1.6083 0.0565 1.6069 0.0504 1.6403 0.0491 1.6174 0.0411\n0.250 1.5962 0.0447 1.5942 0.0459 1.6141 0.0486 1.6093 0.0494 1.5976 0.0463 1.5978 0.0423 1.6290 0.0418 1.6146 0.0366\n0.260 1.5914 0.0372 1.5902 0.0408 1.6095 0.0440 1.6077 0.0459 1.5884 0.0383 1.5897 0.0358 1.6191 0.0359 1.6114 0.0327\n0.270 1.5868 0.0311 1.5864 0.0364 1.6051 0.0400 1.6055 0.0428 1.5805 0.0319 1.5827 0.0305 1.6103 0.0309 1.6079 0.0294\n0.280 1.5825 0.0262 1.5828 0.0326 1.6007 0.0365 1.6030 0.0400 1.5736 0.0267 1.5764 0.0261 1.6025 0.0268 1.6042 0.0265\n0.285 1.5805 0.0241 1.5810 0.0309 1.5986 0.0349 1.5230 0.0387 1.5704 0.0245 1.5736 0.0242 1.5989 0.0250 1.6023 0.0252\n0.290 1.5785 0.0217 1.5793 0.0291 1.5965 0.0332 1.5230 0.0373 1.5675 0.0215 1.5709 0.0217 1.5954 0.0226 1.6005 0.0235\n0.295 1.5765 0.0193 1.5776 0.0275 1.5945 0.0315 1.5230 0.0361 1.5647 0.0179 1.5683 0.0187 1.5922 0.0197 1.5986 0.0214\n0.300 1.5747 0.0171 1.5760 0.0261 1.5925 0.0301 1.5230 0.0351 1.5621 0.0143 1.5659 0.0159 1.5891 0.0169 1.5968 0.0193\n0.305 1.5729 0.0153 1.5744 0.0249 1.5906 0.0289 1.5230 0.0343 1.5597 0.0115 1.5636 0.0137 1.5862 0.0147 1.5950 0.0176\n0.310 1.5711 0.0137 1.5729 0.0238 1.5888 0.0279 1.5230 0.0337 1.5574 0.0095 1.5615 0.0121 1.5834 0.0131 1.5932 0.0163\n0.315 1.5694 0.0124 1.5715 0.0228 1.5869 0.0270 1.5230 0.0333 1.5553 0.0081 1.5594 0.0110 1.5808 0.0120 1.5914 0.0153\n0.320 1.5678 0.0114 1.5700 0.0217 1.5852 0.0259 1.5231 0.0327 1.5532 0.0071 1.5575 0.0101 1.5783 0.0112 1.5897 0.0146\n0.325 1.5662 0.0104 1.5686 0.0204 1.5835 0.0247 1.5231 0.0320 1.5513 0.0063 1.5556 0.0093 1.5759 0.0104 1.5880 0.0139\n0.330 1.5646 0.0094 1.5673 0.0191 1.5818 0.0233 1.5231 0.0312 1.5494 0.0056 1.5538 0.0086 1.5736 0.0097 1.5863 0.0133\n0.335 1.5632 0.0086 1.5660 0.0175 1.5802 0.0219 1.5231 0.0302 1.5477 0.0049 1.5522 0.0078 1.5714 0.0089 1.5847 0.0125\n0.340 1.5617 0.0077 1.5647 0.0160 1.5786 0.0203 1.5231 0.0290 1.5461 0.0044 1.5506 0.0071 1.5693 0.0082 1.5831 0.0117\n0.345 1.5603 0.0069 1.5635 0.0145 1.5771 0.0188 1.5231 0.0277 1.5445 0.0038 1.5490 0.0064 1.5673 0.0074 1.5815 0.0108\n0.350 1.5590 0.0062 1.5624 0.0132 1.5756 0.0173 1.5231 0.0263 1.5430 0.0034 1.5476 0.0057 1.5654 0.0066 1.5800 0.0099\n0.355 1.5577 0.0055 1.5612 0.0119 1.5741 0.0158 1.5231 0.0247 1.5416 0.0030 1.5462 0.0051 1.5636 0.0059 1.5785 0.0090\n0.360 1.5564 0.0050 1.5601 0.0107 1.5727 0.0146 1.5231 0.0234 1.5403 0.0027 1.5448 0.0045 1.5618 0.0053 1.5771 0.0083\n0.365 1.5552 0.0044 1.5590 0.0096 1.5714 0.0132 1.5231 0.0219 1.5390 0.0023 1.5436 0.0039 1.5601 0.0047 1.5757 0.0074\n0.370 1.5541 0.0039 1.5580 0.0086 1.5701 0.0120 1.5231 0.0206 1.5378 0.0020 1.5423 0.0034 1.5585 0.0041 1.5743 0.0067\n0.375 1.5529 0.0035 1.5570 0.0077 1.5688 0.0109 1.5231 0.0195 1.5366 0.0018 1.5412 0.0029 1.5570 0.0037 1.5729 0.0060\n0.380 1.5518 0.0031 1.5560 0.0069 1.5676 0.0100 1.5231 0.0187 1.5355 0.0016 1.5400 0.0026 1.5555 0.0032 1.5716 0.0054\n0.385 1.5507 0.0027 1.5551 0.0062 1.5664 0.0091 1.5231 0.0178 1.5344 0.0014 1.5390 0.0022 1.5541 0.0028 1.5704 0.0049\n0.390 1.5497 0.0024 1.5542 0.0056 1.5652 0.0083 1.5232 0.0169 1.5334 0.0012 1.5379 0.0019 1.5527 0.0025 1.5691 0.0044\n0.395 1.5487 0.0022 1.5533 0.0050 1.5641 0.0077 1.5232 0.0163 1.5325 0.0010 1.5369 0.0016 1.5514 0.0021 1.5679 0.0039\n0.400 1.5477 0.0020 1.5524 0.0046 1.5630 0.0071 1.5232 0.0158 1.5315 0.0009 1.5360 0.0014 1.5501 0.0018 1.5667 0.0034\n0.405 1.5468 0.0017 1.5516 0.0041 1.5619 0.0066 1.5232 0.0153 1.5306 0.0008 1.5351 0.0012 1.5489 0.0016 1.5656 0.0030\n0.410 1.5459 0.0016 1.5508 0.0037 1.5609 0.0060 1.5232 0.0144 1.5298 0.0007 1.5342 0.0010 1.5477 0.0014 1.5645 0.0026\n0.415 1.5450 0.0014 1.5500 0.0034 1.5599 0.0056 1.5232 0.0139 1.5290 0.0006 1.5333 0.0008 1.5466 0.0012 1.5634 0.0023\n0.420 1.5442 0.0013 1.5492 0.0031 1.5589 0.0052 1.5232 0.0134 1.5282 0.0006 1.5325 0.0007 1.5455 0.0010 1.5623 0.0021\n0.425 1.5433 0.0012 1.5485 0.0028 1.5579 0.0048 1.5232 0.0129 1.5274 0.0005 1.5317 0.0006 1.5445 0.0008 1.5613 0.0018\n0.430 1.5425 0.0011 1.5478 0.0026 1.5570 0.0047 1.5232 0.0126 1.5267 0.0005 1.5310 0.0005 1.5434 0.0007 1.5603 0.0016\n0.435 1.5417 0.0010 1.5471 0.0023 1.5561 0.0041 1.5232 0.0116 1.5260 0.0005 1.5302 0.0005 1.5425 0.0006 1.5593 0.0014\n0.440 1.5410 0.0010 1.5464 0.0021 1.5553 0.0038 1.5232 0.0113 1.5253 0.0004 1.5295 0.0004 1.5415 0.0005 1.5583 0.0012\n0.445 1.5402 0.0009 1.5457 0.0019 1.5544 0.0035 1.5232 0.0107 1.5247 0.0004 1.5289 0.0004 1.5406 0.0004 1.5574 0.0011\n0.450 1.5395 0.0008 1.5451 0.0016 1.5536 0.0031 1.5232 0.0098 1.5241 0.0004 1.5282 0.0003 1.5397 0.0004 1.5565 0.0009\n0.455 1.5388 0.0008 1.5445 0.0014 1.5528 0.0027 1.5232 0.0089 1.5235 0.0003 1.5276 0.0002 1.5389 0.0003 1.5556 0.0009\n0.460 1.5382 0.0008 1.5439 0.0012 1.5520 0.0025 1.5232 0.0081 1.5229 0.0003 1.5269 0.0002 1.5380 0.0002 1.5548 0.0007\n0.465 1.5375 0.0008 1.5433 0.0011 1.5513 0.0022 1.5232 0.0075 1.5223 0.0003 1.5264 0.0002 1.5372 0.0002 1.5539 0.0007\n0.470 1.5369 0.0007 1.5427 0.0008 1.5505 0.0017 1.5232 0.0063 1.5218 0.0002 1.5258 0.0001 1.5365 0.0002 1.5531 0.0006\n0.475 1.5363 0.0007 1.5422 0.0007 1.5498 0.0015 1.5232 0.0059 1.5213 0.0002 1.5252 0.0001 1.5357 0.0001 1.5523 0.0005\n0.480 1.5357 0.0007 1.5416 0.0006 1.5491 0.0013 1.5232 0.0054 1.5208 0.0002 1.5247 0.0001 1.5350 0.0001 1.5515 0.0004\n0.485 1.5351 0.0007 1.5411 0.0004 1.5485 0.0012 1.5232 0.0053 1.5203 0.0002 1.5242 0.0000 1.5343 0.0002 1.5508 0.0004\n0.490 1.5345 0.0006 1.5406 0.0003 1.5478 0.0010 1.5232 0.0045 1.5198 0.0002 1.5237 0.0000 1.5336 0.0000 1.5501 0.0003\n0.495 1.5339 0.0005 1.5401 0.0002 1.5472 0.0007 1.5233 0.0039 1.5194 0.0002 1.5232 0.0000 1.5330 0.0000 1.5493 0.0003\n0.500 1.5334 0.0006 1.5396 0.0001 1.5465 0.0006 1.5233 0.0034 1.5189 0.0001 1.5227 0.0000 1.5323 0.0000 1.5486 0.0003\n0.505 1.5329 0.0005 1.5392 0.0000 1.5459 0.0004 1.5233 0.0029 1.5185 0.0001 1.5222 0.0000 1.5317 0.0000 1.5480 0.0002\n0.510 1.5324 0.0005 1.5387 0.0000 1.5453 0.0003 1.5233 0.0023 1.5181 0.0001 1.5218 0.0000 1.5311 0.0000 1.5473 0.0002\n0.515 1.5319 0.0004 1.5383 0.0000 1.5448 0.0001 1.5233 0.0017 1.5177 0.0001 1.5214 0.0000 1.5305 0.0000 1.5466 0.0002\n0.520 1.5314 0.0004 1.5378 0.0000 1.5442 0.0000 1.5233 0.0013 1.5173 0.0001 1.5209 0.0000 1.5299 0.0000 1.5460 0.0001\n0.525 1.5309 0.0004 1.5374 0.0000 1.5436 0.0000 1.5233 0.0010 1.5169 0.0001 1.5205 0.0000 1.5294 0.0000 1.5454 0.0001\n0.530 1.5305 0.0003 1.5370 0.0000 1.5431 0.0000 1.5233 0.0008 1.5166 0.0001 1.5201 0.0000 1.5288 0.0000 1.5448 0.0001\n0.535 1.5300 0.0003 1.5366 0.0000 1.5426 0.0000 1.5233 0.0007 1.5162 0.0001 1.5198 0.0000 1.5283 0.0000 1.5442 0.0001\n0.540 1.5296 0.0004 1.5362 0.0000 1.5421 0.0000 1.5233 0.0005 1.5159 0.0001 1.5194 0.0000 1.5278 0.0000 1.5436 0.0001\n0.545 1.5292 0.0003 1.5358 0.0000 1.5416 0.0000 1.5233 0.0004 1.5156 0.0001 1.5190 0.0000 1.5273 0.0000 1.5431 0.0001\n0.550 1.5287 0.0003 1.5354 0.0000 1.5411 0.0000 1.5233 0.0004 1.5152 0.0001 1.5187 0.0000 1.5268 0.0000 1.5425 0.0001\n0.555 1.5283 0.0003 1.5351 0.0000 1.5406 0.0000 1.5233 0.0004 1.5149 0.0001 1.5183 0.0000 1.5264 0.0000 1.5420 0.0001\n0.560 1.5279 0.0003 1.5347 0.0000 1.5402 0.0000 1.5233 0.0003 1.5146 0.0001 1.5180 0.0000 1.5259 0.0000 1.5415 0.0001\n0.565 1.5276 0.0003 1.5344 0.0000 1.5397 0.0000 1.5233 0.0003 1.5143 0.0001 1.5177 0.0000 1.5255 0.0000 1.5410 0.0001\n0.570 1.5272 0.0003 1.5340 0.0000 1.5393 0.0000 1.5233 0.0003 1.5141 0.0001 1.5174 0.0000 1.5251 0.0000 1.5405 0.0001\n0.575 1.5268 0.0003 1.5337 0.0000 1.5389 0.0000 1.5233 0.0003 1.5138 0.0001 1.5171 0.0000 1.5246 0.0000 1.5400 0.0001\n0.580 1.5265 0.0003 1.5334 0.0000 1.5384 0.0000 1.5233 0.0003 1.5135 0.0001 1.5168 0.0000 1.5242 0.0000 1.5395 0.0001\n0.585 1.5261 0.0003 1.5331 0.0000 1.5380 0.0000 1.5233 0.0003 1.5133 0.0001 1.5165 0.0000 1.5238 0.0000 1.5390 0.0001\n0.590 1.5258 0.0003 1.5328 0.0000 1.5376 0.0000 1.5233 0.0003 1.5130 0.0001 1.5162 0.0000 1.5234 0.0000 1.5386 0.0001\n0.595 1.5254 0.0003 1.5325 0.0000 1.5372 0.0000 1.5233 0.0003 1.5128 0.0001 1.5159 0.0000 1.5231 0.0000 1.5381 0.0001\n0.600 1.5251 0.0003 1.5322 0.0000 1.5369 0.0000 1.5233 0.0003 1.5125 0.0001 1.5156 0.0000 1.5227 0.0000 1.5377 0.0001\n0.605 1.5248 0.0003 1.5319 0.0000 1.5365 0.0000 1.5233 0.0003 1.5123 0.0001 1.5154 0.0000 1.5223 0.0000 1.5373 0.0001\n0.610 1.5245 0.0003 1.5316 0.0000 1.5361 0.0000 1.5233 0.0003 1.5120 0.0001 1.5151 0.0000 1.5220 0.0000 1.5369 0.0001\n0.615 1.5242 0.0003 1.5314 0.0000 1.5358 0.0000 1.5233 0.0003 1.5118 0.0001 1.5149 0.0000 1.5216 0.0000 1.5365 0.0001\n0.620 1.5239 0.0003 1.5311 0.0000 1.5354 0.0000 1.5233 0.0003 1.5116 0.0001 1.5146 0.0000 1.5213 0.0000 1.5361 0.0001\n0.625 1.5236 0.0003 1.5308 0.0000 1.5351 0.0000 1.5233 0.0003 1.5114 0.0001 1.5144 0.0000 1.5210 0.0000 1.5357 0.0001\n0.630 1.5233 0.0003 1.5306 0.0000 1.5348 0.0000 1.5233 0.0003 1.5112 0.0001 1.5142 0.0000 1.5207 0.0000 1.5353 0.0001\n0.635 1.5231 0.0003 1.5303 0.0000 1.5344 0.0000 1.5233 0.0003 1.5110 0.0001 1.5139 0.0000 1.5204 0.0000 1.5349 0.0001\n0.640 1.5228 0.0003 1.5301 0.0000 1.5341 0.0000 1.5233 0.0003 1.5108 0.0001 1.5137 0.0000 1.5201 0.0000 1.5346 0.0001\n0.645 1.5225 0.0003 1.5298 0.0000 1.5338 0.0000 1.5233 0.0003 1.5106 0.0001 1.5135 0.0000 1.5198 0.0000 1.5342 0.0001\n0.650 1.5223 0.0003 1.5296 0.0000 1.5335 0.0000 1.5233 0.0003 1.5104 0.0001 1.5133 0.0000 1.5195 0.0000 1.5339 0.0001\n0.655 1.5220 0.0003 1.5294 0.0000 1.5332 0.0000 1.5233 0.0003 1.5102 0.0001 1.5131 0.0000 1.5192 0.0000 1.5335 0.0001\n0.660 1.5218 0.0003 1.5292 0.0000 1.5329 0.0000 1.5233 0.0003 1.5101 0.0001 1.5129 0.0000 1.5189 0.0000 1.5332 0.0001\n0.665 1.5215 0.0003 1.5289 0.0000 1.5326 0.0000 1.5233 0.0003 1.5099 0.0001 1.5127 0.0000 1.5186 0.0000 1.5329 0.0001\n0.670 1.5213 0.0003 1.5287 0.0000 1.5324 0.0000 1.5233 0.0003 1.5097 0.0001 1.5125 0.0000 1.5184 0.0000 1.5325 0.0001\n0.675 1.5211 0.0003 1.5285 0.0000 1.5321 0.0000 1.5233 0.0003 1.5095 0.0001 1.5123 0.0000 1.5181 0.0000 1.5322 0.0001\n0.680 1.5208 0.0003 1.5283 0.0000 1.5318 0.0000 1.5233 0.0003 1.5094 0.0001 1.5121 0.0000 1.5179 0.0000 1.5319 0.0001\n0.685 1.5206 0.0003 1.5281 0.0000 1.5315 0.0000 1.5233 0.0003 1.5092 0.0001 1.5120 0.0000 1.5176 0.0000 1.5316 0.0001\n0.690 1.5204 0.0003 1.5279 0.0000 1.5313 0.0000 1.5233 0.0003 1.5091 0.0001 1.5118 0.0000 1.5174 0.0000 1.5313 0.0001\n0.695 1.5202 0.0003 1.5277 0.0000 1.5310 0.0000 1.5233 0.0003 1.5089 0.0001 1.5116 0.0000 1.5171 0.0000 1.5310 0.0001\n0.700 1.5200 0.0003 1.5275 0.0000 1.5308 0.0000 1.5233 0.0003 1.5088 0.0001 1.5114 0.0000 1.5169 0.0000 1.5308 0.0001\n0.705 1.5198 0.0003 1.5274 0.0000 1.5306 0.0000 1.5233 0.0003 1.5086 0.0001 1.5113 0.0000 1.5167 0.0000 1.5305 0.0001\n0.710 1.5196 0.0003 1.5272 0.0000 1.5303 0.0000 1.5233 0.0003 1.5085 0.0001 1.5111 0.0000 1.5165 0.0000 1.5302 0.0001\n0.715 1.5194 0.0003 1.5270 0.0000 1.5301 0.0000 1.5233 0.0003 1.5084 0.0001 1.5110 0.0000 1.5163 0.0000 1.5299 0.0001\n0.720 1.5192 0.0003 1.5268 0.0000 1.5299 0.0000 1.5233 0.0003 1.5082 0.0001 1.5108 0.0000 1.5160 0.0000 1.5297 0.0001\n0.725 1.5190 0.0003 1.5267 0.0000 1.5296 0.0000 1.5233 0.0003 1.5081 0.0001 1.5107 0.0000 1.5158 0.0000 1.5294 0.0001\n0.730 1.5188 0.0003 1.5265 0.0000 1.5294 0.0000 1.5234 0.0003 1.5080 0.0001 1.5105 0.0000 1.5156 0.0000 1.5292 0.0001\n0.735 1.5186 0.0003 1.5263 0.0000 1.5292 0.0000 1.5234 0.0003 1.5078 0.0001 1.5104 0.0000 1.5154 0.0000 1.5289 0.0001\n0.740 1.5184 0.0003 1.5262 0.0000 1.5290 0.0000 1.5234 0.0003 1.5077 0.0001 1.5102 0.0000 1.5152 0.0000 1.5287 0.0001\n0.745 1.5183 0.0003 1.5260 0.0000 1.5288 0.0000 1.5234 0.0003 1.5076 0.0001 1.5101 0.0000 1.5150 0.0000 1.5284 0.0001\n0.750 1.5181 0.0003 1.5258 0.0000 1.5286 0.0000 1.5234 0.0003 1.5075 0.0001 1.5099 0.0000 1.5149 0.0000 1.5282 0.0001\n0.755 1.5179 0.0003 1.5257 0.0000 1.5284 0.0000 1.5234 0.0003 1.5074 0.0001 1.5098 0.0000 1.5147 0.0000 1.5280 0.0001\n0.760 1.5178 0.0003 1.5255 0.0000 1.5282 0.0000 1.5234 0.0003 1.5072 0.0001 1.5097 0.0000 1.5145 0.0000 1.5277 0.0001\n0.765 1.5176 0.0003 1.5254 0.0000 1.5280 0.0000 1.5234 0.0003 1.5071 0.0001 1.5096 0.0000 1.5143 0.0000 1.5275 0.0001\n0.770 1.5174 0.0003 1.5253 0.0000 1.5278 0.0000 1.5234 0.0003 1.5070 0.0001 1.5094 0.0000 1.5141 0.0000 1.5273 0.0001\n0.775 1.5173 0.0003 1.5251 0.0000 1.5276 0.0000 1.5234 0.0003 1.5069 0.0001 1.5093 0.0000 1.5140 0.0000 1.5271 0.0001\n0.780 1.5171 0.0003 1.5250 0.0000 1.5274 0.0000 1.5234 0.0003 1.5068 0.0001 1.5092 0.0000 1.5138 0.0000 1.5269 0.0001\n0.785 1.5170 0.0003 1.5248 0.0000 1.5273 0.0000 1.5234 0.0003 1.5067 0.0001 1.5091 0.0000 1.5136 0.0000 1.5267 0.0001\n0.790 1.5168 0.0003 1.5247 0.0000 1.5271 0.0000 1.5234 0.0003 1.5066 0.0001 1.5090 0.0000 1.5135 0.0000 1.5265 0.0001\n0.795 1.5167 0.0003 1.5246 0.0000 1.5269 0.0000 1.5234 0.0003 1.5065 0.0001 1.5088 0.0000 1.5133 0.0000 1.5263 0.0001\n0.800 1.5165 0.0003 1.5245 0.0000 1.5268 0.0000 1.5234 0.0003 1.5064 0.0001 1.5087 0.0000 1.5132 0.0000 1.5261 0.0001\n0.805 1.5164 0.0003 1.5243 0.0000 1.5266 0.0000 1.5234 0.0003 1.5063 0.0001 1.5086 0.0000 1.5130 0.0000 1.5259 0.0001\n0.810 1.5163 0.0003 1.5242 0.0000 1.5264 0.0000 1.5234 0.0003 1.5062 0.0001 1.5085 0.0000 1.5129 0.0000 1.5257 0.0001\n0.815 1.5161 0.0003 1.5241 0.0000 1.5263 0.0000 1.5234 0.0003 1.5061 0.0001 1.5084 0.0000 1.5127 0.0000 1.5255 0.0001\n0.820 1.5160 0.0003 1.5240 0.0000 1.5261 0.0000 1.5234 0.0003 1.5060 0.0001 1.5083 0.0000 1.5126 0.0000 1.5253 0.0001\n0.825 1.5159 0.0003 1.5238 0.0000 1.5260 0.0000 1.5234 0.0003 1.5060 0.0001 1.5082 0.0000 1.5124 0.0000 1.5252 0.0001\n0.830 1.5157 0.0003 1.5237 0.0000 1.5258 0.0000 1.5234 0.0003 1.5059 0.0001 1.5081 0.0000 1.5123 0.0000 1.5250 0.0001\n0.835 1.5156 0.0003 1.5236 0.0000 1.5257 0.0000 1.5234 0.0003 1.5058 0.0001 1.5080 0.0000 1.5122 0.0000 1.5248 0.0001\n0.840 1.5155 0.0003 1.5235 0.0000 1.5255 0.0000 1.5234 0.0003 1.5057 0.0001 1.5079 0.0000 1.5120 0.0000 1.5246 0.0001\n0.845 1.5154 0.0003 1.5234 0.0000 1.5254 0.0000 1.5234 0.0003 1.5056 0.0001 1.5078 0.0000 1.5119 0.0000 1.5245 0.0001\n0.850 1.5153 0.0003 1.5233 0.0000 1.5252 0.0000 1.5234 0.0003 1.5055 0.0001 1.5077 0.0000 1.5118 0.0000 1.5243 0.0001\n0.855 1.5151 0.0003 1.5232 0.0000 1.5251 0.0000 1.5234 0.0003 1.5055 0.0001 1.5076 0.0000 1.5117 0.0000 1.5242 0.0001\n0.860 1.5150 0.0003 1.5231 0.0000 1.5249 0.0000 1.5234 0.0003 1.5054 0.0001 1.5075 0.0000 1.5115 0.0000 1.5240 0.0001\n0.865 1.5149 0.0003 1.5230 0.0000 1.5248 0.0000 1.5234 0.0003 1.5053 0.0001 1.5075 0.0000 1.5114 0.0000 1.5238 0.0001\n0.870 1.5148 0.0003 1.5229 0.0000 1.5247 0.0000 1.5234 0.0003 1.5052 0.0001 1.5074 0.0000 1.5113 0.0000 1.5237 0.0001\n0.875 1.5147 0.0003 1.5228 0.0000 1.5246 0.0000 1.5234 0.0003 1.5052 0.0001 1.5073 0.0000 1.5112 0.0000 1.5235 0.0001\n0.880 1.5146 0.0003 1.5227 0.0000 1.5244 0.0000 1.5234 0.0003 1.5051 0.0001 1.5072 0.0000 1.5111 0.0000 1.5234 0.0001\n0.885 1.5145 0.0003 1.5226 0.0000 1.5243 0.0000 1.5234 0.0003 1.5050 0.0001 1.5071 0.0000 1.5109 0.0000 1.5232 0.0001\n0.890 1.5144 0.0003 1.5225 0.0000 1.5242 0.0000 1.5234 0.0003 1.5050 0.0001 1.5070 0.0000 1.5108 0.0000 1.5231 0.0001\n0.895 1.5143 0.0003 1.5224 0.0000 1.5241 0.0000 1.5234 0.0003 1.5049 0.0001 1.5070 0.0000 1.5107 0.0000 1.5230 0.0001\n0.900 1.5142 0.0003 1.5223 0.0000 1.5239 0.0000 1.5234 0.0003 1.5048 0.0001 1.5069 0.0000 1.5106 0.0000 1.5228 0.0001\n0.905 1.5141 0.0003 1.5222 0.0000 1.5238 0.0000 1.5234 0.0003 1.5048 0.0001 1.5068 0.0000 1.5105 0.0000 1.5227 0.0001\n0.910 1.5140 0.0003 1.5221 0.0000 1.5237 0.0000 1.5234 0.0003 1.5047 0.0001 1.5067 0.0000 1.5104 0.0000 1.5225 0.0001\n0.915 1.5139 0.0003 1.5220 0.0000 1.5236 0.0000 1.5234 0.0003 1.5046 0.0001 1.5067 0.0000 1.5103 0.0000 1.5224 0.0001\n0.920 1.5138 0.0003 1.5220 0.0000 1.5235 0.0000 1.5234 0.0003 1.5046 0.0001 1.5066 0.0000 1.5102 0.0000 1.5223 0.0001\n0.925 1.5137 0.0003 1.5219 0.0000 1.5234 0.0000 1.5234 0.0003 1.5045 0.0001 1.5065 0.0000 1.5101 0.0000 1.5222 0.0001\n0.930 1.5136 0.0003 1.5218 0.0000 1.5233 0.0000 1.5234 0.0003 1.5044 0.0001 1.5064 0.0000 1.5100 0.0000 1.5220 0.0001\n0.935 1.5135 0.0003 1.5217 0.0000 1.5231 0.0000 1.5234 0.0003 1.5044 0.0001 1.5064 0.0000 1.5099 0.0000 1.5219 0.0001\n0.940 1.5134 0.0003 1.5216 0.0000 1.5230 0.0000 1.5234 0.0003 1.5043 0.0001 1.5063 0.0000 1.5098 0.0000 1.5218 0.0001\n0.945 1.5133 0.0003 1.5215 0.0000 1.5229 0.0000 1.5234 0.0003 1.5043 0.0001 1.5062 0.0000 1.5097 0.0000 1.5217 0.0001\n0.950 1.5132 0.0003 1.5215 0.0000 1.5228 0.0000 1.5234 0.0003 1.5042 0.0001 1.5062 0.0000 1.5096 0.0000 1.5215 0.0001\n0.955 1.5132 0.0003 1.5214 0.0000 1.5227 0.0000 1.5234 0.0003 1.5042 0.0001 1.5061 0.0000 1.5095 0.0000 1.5214 0.0001\n0.960 1.5131 0.0003 1.5213 0.0000 1.5226 0.0000 1.5234 0.0003 1.5041 0.0001 1.5060 0.0000 1.5094 0.0000 1.5213 0.0001\n0.965 1.5130 0.0003 1.5212 0.0000 1.5225 0.0000 1.5234 0.0003 1.5040 0.0001 1.5060 0.0000 1.5094 0.0000 1.5212 0.0001\n0.970 1.5129 0.0003 1.5212 0.0000 1.5224 0.0000 1.5234 0.0003 1.5040 0.0001 1.5059 0.0000 1.5093 0.0000 1.5211 0.0001\n0.975 1.5128 0.0003 1.5211 0.0000 1.5224 0.0000 1.5234 0.0003 1.5039 0.0001 1.5059 0.0000 1.5092 0.0000 1.5210 0.0001\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n" }, { "path": "UTIL/inline_phot_preproc/refractive_indices/IE_refractive_indices/Lui_2015_refractive_indices_mxylene_SOA_high_NOX.txt", "content": "MXYL_HIGH_NOX\n!P. F. Liu, N. Abdelmalki, H.-M. Hung, Y. Wang, W. H. Brune and S. T. Martin\n!Ultraviolet and visible complex refractive indices of secondary organic \n!material produced by photooxidation of the aromatic compounds toluene and m-xylene\n!Atmos. Chem. Phys., 15, 1435-1446, 2015\n!www.atmos-chem-phys.net/15/1435/2015/\n!doi:10.5194/acp-15-1435-2015\n!\n!Parameters for Cauchy's equation\n! n(lambda(um)) = B + C /lambda**2 + D /lambda**4\n!for the wavelength-dependent real refractive index n of toluene- and m-xylene-derived SOMs for \n!several initial NO (ppm)\n!A1 Toluene 0.0 1.505 7.57e-3 -1.17e-4\n!A2 Toluene 2.5 1.514 6.87e-3 -1.16e-4\n!A3 Toluene 5.0 1.513 9.07e-3 -1.72e-4\n!A4 Toluene 10.0 1.519 1.03e-2 -2.91e-4\n!B1 m-Xylene 0.0 1.499 4.59e-3 9.84e-5\n!B2 m-Xylene 2.5 1.500 5.53e-3 3.63e-5\n!B3 m-Xylene 5.0 1.501 7.77e-3 1.45e-5\n!B4 m-Xylene 10.0 1.510 1.07e-2 -2.60e-4\n!\n!Notes: Below 280 nm, the imaginary part, k, is extrapolted using the angstrom exponent derived from values at 275 and\n!280 nm. Above 580 nm, k is set to value at 560 nm, the angstrom exponent is set to zero.\n!\n!\n!Wvl MXy_B4 MXy_B4\n!(um) m k \n0.150 1.6189 0.0600\n0.210 1.6189 0.0600\n0.220 1.6201 0.0526\n0.230 1.6194 0.0463\n0.240 1.6174 0.0411\n0.250 1.6146 0.0366\n0.260 1.6114 0.0327\n0.270 1.6079 0.0294\n0.280 1.6042 0.0265\n0.285 1.6023 0.0252\n0.290 1.6005 0.0235\n0.295 1.5986 0.0214\n0.300 1.5968 0.0193\n0.305 1.5950 0.0176\n0.310 1.5932 0.0163\n0.315 1.5914 0.0153\n0.320 1.5897 0.0146\n0.325 1.5880 0.0139\n0.330 1.5863 0.0133\n0.335 1.5847 0.0125\n0.340 1.5831 0.0117\n0.345 1.5815 0.0108\n0.350 1.5800 0.0099\n0.355 1.5785 0.0090\n0.360 1.5771 0.0083\n0.365 1.5757 0.0074\n0.370 1.5743 0.0067\n0.375 1.5729 0.0060\n0.380 1.5716 0.0054\n0.385 1.5704 0.0049\n0.390 1.5691 0.0044\n0.395 1.5679 0.0039\n0.400 1.5667 0.0034\n0.405 1.5656 0.0030\n0.410 1.5645 0.0026\n0.415 1.5634 0.0023\n0.420 1.5623 0.0021\n0.425 1.5613 0.0018\n0.430 1.5603 0.0016\n0.435 1.5593 0.0014\n0.440 1.5583 0.0012\n0.445 1.5574 0.0011\n0.450 1.5565 0.0009\n0.455 1.5556 0.0009\n0.460 1.5548 0.0007\n0.465 1.5539 0.0007\n0.470 1.5531 0.0006\n0.475 1.5523 0.0005\n0.480 1.5515 0.0004\n0.485 1.5508 0.0004\n0.490 1.5501 0.0003\n0.495 1.5493 0.0003\n0.500 1.5486 0.0003\n0.505 1.5480 0.0002\n0.510 1.5473 0.0002\n0.515 1.5466 0.0002\n0.520 1.5460 0.0001\n0.525 1.5454 0.0001\n0.530 1.5448 0.0001\n0.535 1.5442 0.0001\n0.540 1.5436 0.0001\n0.545 1.5431 0.0001\n0.550 1.5425 0.0001\n0.555 1.5420 0.0001\n0.560 1.5415 0.0001\n0.565 1.5410 0.0001\n0.570 1.5405 0.0001\n0.575 1.5400 0.0001\n0.580 1.5395 0.0001\n0.585 1.5390 0.0001\n0.590 1.5386 0.0001\n0.595 1.5381 0.0001\n0.600 1.5377 0.0001\n0.605 1.5373 0.0001\n0.610 1.5369 0.0001\n0.615 1.5365 0.0001\n0.620 1.5361 0.0001\n0.625 1.5357 0.0001\n0.630 1.5353 0.0001\n0.635 1.5349 0.0001\n0.640 1.5346 0.0001\n0.645 1.5342 0.0001\n0.650 1.5339 0.0001\n0.655 1.5335 0.0001\n0.660 1.5332 0.0001\n0.665 1.5329 0.0001\n0.670 1.5325 0.0001\n0.675 1.5322 0.0001\n0.680 1.5319 0.0001\n0.685 1.5316 0.0001\n0.690 1.5313 0.0001\n0.695 1.5310 0.0001\n0.700 1.5308 0.0001\n0.705 1.5305 0.0001\n0.710 1.5302 0.0001\n0.715 1.5299 0.0001\n0.720 1.5297 0.0001\n0.725 1.5294 0.0001\n0.730 1.5292 0.0001\n0.735 1.5289 0.0001\n0.740 1.5287 0.0001\n0.745 1.5284 0.0001\n0.750 1.5282 0.0001\n0.755 1.5280 0.0001\n0.760 1.5277 0.0001\n0.765 1.5275 0.0001\n0.770 1.5273 0.0001\n0.775 1.5271 0.0001\n0.780 1.5269 0.0001\n0.785 1.5267 0.0001\n0.790 1.5265 0.0001\n0.795 1.5263 0.0001\n0.800 1.5261 0.0001\n0.805 1.5259 0.0001\n0.810 1.5257 0.0001\n0.815 1.5255 0.0001\n0.820 1.5253 0.0001\n0.825 1.5252 0.0001\n0.830 1.5250 0.0001\n0.835 1.5248 0.0001\n0.840 1.5246 0.0001\n0.845 1.5245 0.0001\n0.850 1.5243 0.0001\n0.855 1.5242 0.0001\n0.860 1.5240 0.0001\n0.865 1.5238 0.0001\n0.870 1.5237 0.0001\n0.875 1.5235 0.0001\n0.880 1.5234 0.0001\n0.885 1.5232 0.0001\n0.890 1.5231 0.0001\n0.895 1.5230 0.0001\n0.900 1.5228 0.0001\n0.905 1.5227 0.0001\n0.910 1.5225 0.0001\n0.915 1.5224 0.0001\n0.920 1.5223 0.0001\n0.925 1.5222 0.0001\n0.930 1.5220 0.0001\n0.935 1.5219 0.0001\n0.940 1.5218 0.0001\n0.945 1.5217 0.0001\n0.950 1.5215 0.0001\n0.955 1.5214 0.0001\n0.960 1.5213 0.0001\n0.965 1.5212 0.0001\n0.970 1.5211 0.0001\n0.975 1.5210 0.0001\n\n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n" }, { "path": "UTIL/inline_phot_preproc/refractive_indices/IE_refractive_indices/Lui_2015_refractive_indices_mxylene_SOA_low_NOX.txt", "content": "MXYL_LOW_NOX\n!P. F. Liu, N. Abdelmalki, H.-M. Hung, Y. Wang, W. H. Brune and S. T. Martin\n!Ultraviolet and visible complex refractive indices of secondary organic \n!material produced by photooxidation of the aromatic compounds toluene and m-xylene\n!Atmos. Chem. Phys., 15, 1435-1446, 2015\n!www.atmos-chem-phys.net/15/1435/2015/\n!doi:10.5194/acp-15-1435-2015\n!\n!Parameters for Cauchy's equation\n! n(lambda(um)) = B + C /lambda**2 + D /lambda**4\n!for the wavelength-dependent real refractive index n of toluene- and m-xylene-derived SOMs \n!for several initial NO (ppm)\n!A1 Toluene 0.0 1.505 7.57e-3 -1.17e-4\n!A2 Toluene 2.5 1.514 6.87e-3 -1.16e-4\n!A3 Toluene 5.0 1.513 9.07e-3 -1.72e-4\n!A4 Toluene 10.0 1.519 1.03e-2 -2.91e-4\n!B1 m-Xylene 0.0 1.499 4.59e-3 9.84e-5\n!B2 m-Xylene 2.5 1.500 5.53e-3 3.63e-5\n!B3 m-Xylene 5.0 1.501 7.77e-3 1.45e-5\n!B4 m-Xylene 10.0 1.510 1.07e-2 -2.60e-4\n!\n!Notes: Below 280 nm, the imaginary part, k, is extrapolted using the angstrom exponent derived from values at 275 and\n!280 nm. Above 580 nm, k is set to value at 560 nm, the angstrom exponent is set to zero.\n!\n!\n!Wvl MXy_B1 MXy_B1 \n!(um) m k \n0.150 1.6537 0.1080 \n0.210 1.6537 0.1080 \n0.220 1.6358 0.0862 \n0.230 1.6209 0.0694 \n0.240 1.6083 0.0565 \n0.250 1.5976 0.0463 \n0.260 1.5884 0.0383 \n0.270 1.5805 0.0319 \n0.280 1.5736 0.0267 \n0.285 1.5704 0.0245 \n0.290 1.5675 0.0215 \n0.295 1.5647 0.0179 \n0.300 1.5621 0.0143 \n0.305 1.5597 0.0115 \n0.310 1.5574 0.0095 \n0.315 1.5553 0.0081 \n0.320 1.5532 0.0071 \n0.325 1.5513 0.0063 \n0.330 1.5494 0.0056 \n0.335 1.5477 0.0049 \n0.340 1.5461 0.0044 \n0.345 1.5445 0.0038 \n0.350 1.5430 0.0034 \n0.355 1.5416 0.0030 \n0.360 1.5403 0.0027 \n0.365 1.5390 0.0023 \n0.370 1.5378 0.0020 \n0.375 1.5366 0.0018 \n0.380 1.5355 0.0016 \n0.385 1.5344 0.0014 \n0.390 1.5334 0.0012 \n0.395 1.5325 0.0010 \n0.400 1.5315 0.0009 \n0.405 1.5306 0.0008 \n0.410 1.5298 0.0007 \n0.415 1.5290 0.0006 \n0.420 1.5282 0.0006 \n0.425 1.5274 0.0005 \n0.430 1.5267 0.0005 \n0.435 1.5260 0.0005 \n0.440 1.5253 0.0004 \n0.445 1.5247 0.0004 \n0.450 1.5241 0.0004 \n0.455 1.5235 0.0003 \n0.460 1.5229 0.0003 \n0.465 1.5223 0.0003 \n0.470 1.5218 0.0002 \n0.475 1.5213 0.0002 \n0.480 1.5208 0.0002 \n0.485 1.5203 0.0002 \n0.490 1.5198 0.0002 \n0.495 1.5194 0.0002 \n0.500 1.5189 0.0001 \n0.505 1.5185 0.0001 \n0.510 1.5181 0.0001 \n0.515 1.5177 0.0001 \n0.520 1.5173 0.0001 \n0.525 1.5169 0.0001 \n0.530 1.5166 0.0001 \n0.535 1.5162 0.0001 \n0.540 1.5159 0.0001 \n0.545 1.5156 0.0001 \n0.550 1.5152 0.0001 \n0.555 1.5149 0.0001 \n0.560 1.5146 0.0001 \n0.565 1.5143 0.0001 \n0.570 1.5141 0.0001 \n0.575 1.5138 0.0001 \n0.580 1.5135 0.0001 \n0.585 1.5133 0.0001 \n0.590 1.5130 0.0001 \n0.595 1.5128 0.0001 \n0.600 1.5125 0.0001 \n0.605 1.5123 0.0001 \n0.610 1.5120 0.0001 \n0.615 1.5118 0.0001 \n0.620 1.5116 0.0001 \n0.625 1.5114 0.0001 \n0.630 1.5112 0.0001 \n0.635 1.5110 0.0001 \n0.640 1.5108 0.0001 \n0.645 1.5106 0.0001 \n0.650 1.5104 0.0001 \n0.655 1.5102 0.0001 \n0.660 1.5101 0.0001 \n0.665 1.5099 0.0001 \n0.670 1.5097 0.0001 \n0.675 1.5095 0.0001 \n0.680 1.5094 0.0001 \n0.685 1.5092 0.0001 \n0.690 1.5091 0.0001 \n0.695 1.5089 0.0001 \n0.700 1.5088 0.0001 \n0.705 1.5086 0.0001 \n0.710 1.5085 0.0001 \n0.715 1.5084 0.0001 \n0.720 1.5082 0.0001 \n0.725 1.5081 0.0001 \n0.730 1.5080 0.0001 \n0.735 1.5078 0.0001 \n0.740 1.5077 0.0001 \n0.745 1.5076 0.0001 \n0.750 1.5075 0.0001 \n0.755 1.5074 0.0001 \n0.760 1.5072 0.0001 \n0.765 1.5071 0.0001 \n0.770 1.5070 0.0001 \n0.775 1.5069 0.0001 \n0.780 1.5068 0.0001 \n0.785 1.5067 0.0001 \n0.790 1.5066 0.0001 \n0.795 1.5065 0.0001 \n0.800 1.5064 0.0001 \n0.805 1.5063 0.0001 \n0.810 1.5062 0.0001 \n0.815 1.5061 0.0001 \n0.820 1.5060 0.0001 \n0.825 1.5060 0.0001 \n0.830 1.5059 0.0001 \n0.835 1.5058 0.0001 \n0.840 1.5057 0.0001 \n0.845 1.5056 0.0001 \n0.850 1.5055 0.0001 \n0.855 1.5055 0.0001 \n0.860 1.5054 0.0001 \n0.865 1.5053 0.0001 \n0.870 1.5052 0.0001 \n0.875 1.5052 0.0001 \n0.880 1.5051 0.0001 \n0.885 1.5050 0.0001 \n0.890 1.5050 0.0001 \n0.895 1.5049 0.0001 \n0.900 1.5048 0.0001 \n0.905 1.5048 0.0001 \n0.910 1.5047 0.0001 \n0.915 1.5046 0.0001 \n0.920 1.5046 0.0001 \n0.925 1.5045 0.0001 \n0.930 1.5044 0.0001 \n0.935 1.5044 0.0001 \n0.940 1.5043 0.0001 \n0.945 1.5043 0.0001 \n0.950 1.5042 0.0001 \n0.955 1.5042 0.0001 \n0.960 1.5041 0.0001 \n0.965 1.5040 0.0001 \n0.970 1.5040 0.0001 \n0.975 1.5039 0.0001 \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n" }, { "path": "UTIL/inline_phot_preproc/refractive_indices/IE_refractive_indices/Lui_2015_refractive_indices_toluene_SOA_high_NOX.txt", "content": "TOLU_HIGH_NOX\n!P. F. Liu, N. Abdelmalki, H.-M. Hung, Y. Wang, W. H. Brune and S. T. Martin\n!Ultraviolet and visible complex refractive indices of secondary organic \n!material produced by photooxidation of the aromatic compounds toluene and m-xylene\n!Atmos. Chem. Phys., 15, 1435-1446, 2015\n!www.atmos-chem-phys.net/15/1435/2015/\n!doi:10.5194/acp-15-1435-2015\n!\n!Parameters for Cauchy's equation\n! n(lambda(um)) = B + C /lambda**2 + D /lambda**4\n!for the wavelength-dependent real refractive index n of toluene- and m-xylene-derived SOMs for several initial NO (ppm)\n!A1 Toluene 0.0 1.505 7.57e-3 -1.17e-4\n!A2 Toluene 2.5 1.514 6.87e-3 -1.16e-4\n!A3 Toluene 5.0 1.513 9.07e-3 -1.72e-4\n!A4 Toluene 10.0 1.519 1.03e-2 -2.91e-4\n!B1 m-Xylene 0.0 1.499 4.59e-3 9.84e-5\n!B2 m-Xylene 2.5 1.500 5.53e-3 3.63e-5\n!B3 m-Xylene 5.0 1.501 7.77e-3 1.45e-5\n!B4 m-Xylene 10.0 1.510 1.07e-2 -2.60e-4\n!\n!Notes: Below 280 nm, the imaginary part, k, is extrapolted using the angstrom exponent derived from values at 275 and\n!280 nm. Above 580 nm, k is set to value at 560 nm, the angstrom exponent is set to zero.\n!\n!\n!Wvl Tol_A4 Tol_A4 \n!(um) m k \n0.150 1.6029 0.0684 \n0.210 1.6029 0.0684 \n0.220 1.6076 0.0627 \n0.230 1.6097 0.0577 \n0.240 1.6101 0.0533 \n0.250 1.6093 0.0494 \n0.260 1.6077 0.0459 \n0.270 1.6055 0.0428 \n0.280 1.6030 0.0400 \n0.285 1.5230 0.0387 \n0.290 1.5230 0.0373 \n0.295 1.5230 0.0361 \n0.300 1.5230 0.0351 \n0.305 1.5230 0.0343 \n0.310 1.5230 0.0337 \n0.315 1.5230 0.0333 \n0.320 1.5231 0.0327 \n0.325 1.5231 0.0320 \n0.330 1.5231 0.0312 \n0.335 1.5231 0.0302 \n0.340 1.5231 0.0290 \n0.345 1.5231 0.0277 \n0.350 1.5231 0.0263 \n0.355 1.5231 0.0247 \n0.360 1.5231 0.0234 \n0.365 1.5231 0.0219 \n0.370 1.5231 0.0206 \n0.375 1.5231 0.0195 \n0.380 1.5231 0.0187 \n0.385 1.5231 0.0178 \n0.390 1.5232 0.0169 \n0.395 1.5232 0.0163 \n0.400 1.5232 0.0158 \n0.405 1.5232 0.0153 \n0.410 1.5232 0.0144 \n0.415 1.5232 0.0139 \n0.420 1.5232 0.0134 \n0.425 1.5232 0.0129 \n0.430 1.5232 0.0126 \n0.435 1.5232 0.0116 \n0.440 1.5232 0.0113 \n0.445 1.5232 0.0107 \n0.450 1.5232 0.0098 \n0.455 1.5232 0.0089 \n0.460 1.5232 0.0081 \n0.465 1.5232 0.0075 \n0.470 1.5232 0.0063 \n0.475 1.5232 0.0059 \n0.480 1.5232 0.0054 \n0.485 1.5232 0.0053 \n0.490 1.5232 0.0045 \n0.495 1.5233 0.0039 \n0.500 1.5233 0.0034 \n0.505 1.5233 0.0029 \n0.510 1.5233 0.0023 \n0.515 1.5233 0.0017 \n0.520 1.5233 0.0013 \n0.525 1.5233 0.0010 \n0.530 1.5233 0.0008 \n0.535 1.5233 0.0007 \n0.540 1.5233 0.0005 \n0.545 1.5233 0.0004 \n0.550 1.5233 0.0004 \n0.555 1.5233 0.0004 \n0.560 1.5233 0.0003 \n0.565 1.5233 0.0003 \n0.570 1.5233 0.0003 \n0.575 1.5233 0.0003 \n0.580 1.5233 0.0003 \n0.585 1.5233 0.0003 \n0.590 1.5233 0.0003 \n0.595 1.5233 0.0003 \n0.600 1.5233 0.0003 \n0.605 1.5233 0.0003 \n0.610 1.5233 0.0003 \n0.615 1.5233 0.0003 \n0.620 1.5233 0.0003 \n0.625 1.5233 0.0003 \n0.630 1.5233 0.0003 \n0.635 1.5233 0.0003 \n0.640 1.5233 0.0003 \n0.645 1.5233 0.0003 \n0.650 1.5233 0.0003 \n0.655 1.5233 0.0003 \n0.660 1.5233 0.0003 \n0.665 1.5233 0.0003 \n0.670 1.5233 0.0003 \n0.675 1.5233 0.0003 \n0.680 1.5233 0.0003 \n0.685 1.5233 0.0003 \n0.690 1.5233 0.0003 \n0.695 1.5233 0.0003 \n0.700 1.5233 0.0003 \n0.705 1.5233 0.0003 \n0.710 1.5233 0.0003 \n0.715 1.5233 0.0003 \n0.720 1.5233 0.0003 \n0.725 1.5233 0.0003 \n0.730 1.5234 0.0003 \n0.735 1.5234 0.0003 \n0.740 1.5234 0.0003 \n0.745 1.5234 0.0003 \n0.750 1.5234 0.0003 \n0.755 1.5234 0.0003 \n0.760 1.5234 0.0003 \n0.765 1.5234 0.0003 \n0.770 1.5234 0.0003 \n0.775 1.5234 0.0003 \n0.780 1.5234 0.0003 \n0.785 1.5234 0.0003 \n0.790 1.5234 0.0003 \n0.795 1.5234 0.0003 \n0.800 1.5234 0.0003 \n0.805 1.5234 0.0003 \n0.810 1.5234 0.0003 \n0.815 1.5234 0.0003 \n0.820 1.5234 0.0003 \n0.825 1.5234 0.0003 \n0.830 1.5234 0.0003 \n0.835 1.5234 0.0003 \n0.840 1.5234 0.0003 \n0.845 1.5234 0.0003 \n0.850 1.5234 0.0003 \n0.855 1.5234 0.0003 \n0.860 1.5234 0.0003 \n0.865 1.5234 0.0003 \n0.870 1.5234 0.0003 \n0.875 1.5234 0.0003 \n0.880 1.5234 0.0003 \n0.885 1.5234 0.0003 \n0.890 1.5234 0.0003 \n0.895 1.5234 0.0003 \n0.900 1.5234 0.0003 \n0.905 1.5234 0.0003 \n0.910 1.5234 0.0003 \n0.915 1.5234 0.0003 \n0.920 1.5234 0.0003 \n0.925 1.5234 0.0003 \n0.930 1.5234 0.0003 \n0.935 1.5234 0.0003 \n0.940 1.5234 0.0003 \n0.945 1.5234 0.0003 \n0.950 1.5234 0.0003 \n0.955 1.5234 0.0003 \n0.960 1.5234 0.0003 \n0.965 1.5234 0.0003 \n0.970 1.5234 0.0003 \n0.975 1.5234 0.0003 \n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n" }, { "path": "UTIL/inline_phot_preproc/refractive_indices/IE_refractive_indices/Lui_2015_refractive_indices_toluene_SOA_low_NOX.txt", "content": "TOLU_LOW_NOX\n!P. F. Liu, N. Abdelmalki, H.-M. Hung, Y. Wang, W. H. Brune and S. T. Martin\n!Ultraviolet and visible complex refractive indices of secondary organic \n!material produced by photooxidation of the aromatic compounds toluene and m-xylene\n!Atmos. Chem. Phys., 15, 1435-1446, 2015\n!www.atmos-chem-phys.net/15/1435/2015/\n!doi:10.5194/acp-15-1435-2015\n!\n!Parameters for Cauchy's equation\n! n(lambda(nm)) = B + C /lambda**2 + D /lambda**4\n!for the wavelength-dependent real refractive index n of toluene- and m-xylene-derived SOMs for several initial NO (ppm)\n!A1 Toluene 0.0 1.505 7.57e-3 -1.17e-4\n!A2 Toluene 2.5 1.514 6.87e-3 -1.16e-4\n!A3 Toluene 5.0 1.513 9.07e-3 -1.72e-4\n!A4 Toluene 10.0 1.519 1.03e-2 -2.91e-4\n!B1 m-Xylene 0.0 1.499 4.59e-3 9.84e-5\n!B2 m-Xylene 2.5 1.500 5.53e-3 3.63e-5\n!B3 m-Xylene 5.0 1.501 7.77e-3 1.45e-5\n!B4 m-Xylene 10.0 1.510 1.07e-2 -2.60e-4\n!\n!Notes: Below 280 nm, the imaginary part, k, is extrapolted using the angstrom exponent derived from values at 275 and\n!280 nm. Above 580 nm, k is set to value at 560 nm, the angstrom exponent is set to zero.\n!\n!\n!Wvl Tol_A1 Tol_A1 \n!(um) m k \n0.150 1.6165 0.1019 \n0.210 1.6165 0.1019 \n0.220 1.6115 0.0818 \n0.230 1.6063 0.0663 \n0.240 1.6012 0.0542 \n0.250 1.5962 0.0447 \n0.260 1.5914 0.0372 \n0.270 1.5868 0.0311 \n0.280 1.5825 0.0262 \n0.285 1.5805 0.0241 \n0.290 1.5785 0.0217 \n0.295 1.5765 0.0193 \n0.300 1.5747 0.0171 \n0.305 1.5729 0.0153 \n0.310 1.5711 0.0137 \n0.315 1.5694 0.0124 \n0.320 1.5678 0.0114 \n0.325 1.5662 0.0104 \n0.330 1.5646 0.0094 \n0.335 1.5632 0.0086 \n0.340 1.5617 0.0077 \n0.345 1.5603 0.0069 \n0.350 1.5590 0.0062 \n0.355 1.5577 0.0055 \n0.360 1.5564 0.0050 \n0.365 1.5552 0.0044 \n0.370 1.5541 0.0039 \n0.375 1.5529 0.0035 \n0.380 1.5518 0.0031 \n0.385 1.5507 0.0027 \n0.390 1.5497 0.0024 \n0.395 1.5487 0.0022 \n0.400 1.5477 0.0020 \n0.405 1.5468 0.0017 \n0.410 1.5459 0.0016 \n0.415 1.5450 0.0014 \n0.420 1.5442 0.0013 \n0.425 1.5433 0.0012 \n0.430 1.5425 0.0011 \n0.435 1.5417 0.0010 \n0.440 1.5410 0.0010 \n0.445 1.5402 0.0009 \n0.450 1.5395 0.0008 \n0.455 1.5388 0.0008 \n0.460 1.5382 0.0008 \n0.465 1.5375 0.0008 \n0.470 1.5369 0.0007 \n0.475 1.5363 0.0007 \n0.480 1.5357 0.0007 \n0.485 1.5351 0.0007 \n0.490 1.5345 0.0006 \n0.495 1.5339 0.0005 \n0.500 1.5334 0.0006 \n0.505 1.5329 0.0005 \n0.510 1.5324 0.0005 \n0.515 1.5319 0.0004 \n0.520 1.5314 0.0004 \n0.525 1.5309 0.0004 \n0.530 1.5305 0.0003 \n0.535 1.5300 0.0003 \n0.540 1.5296 0.0004 \n0.545 1.5292 0.0003 \n0.550 1.5287 0.0003 \n0.555 1.5283 0.0003 \n0.560 1.5279 0.0003 \n0.565 1.5276 0.0003 \n0.570 1.5272 0.0003 \n0.575 1.5268 0.0003 \n0.580 1.5265 0.0003 \n0.585 1.5261 0.0003 \n0.590 1.5258 0.0003 \n0.595 1.5254 0.0003 \n0.600 1.5251 0.0003 \n0.605 1.5248 0.0003 \n0.610 1.5245 0.0003 \n0.615 1.5242 0.0003 \n0.620 1.5239 0.0003 \n0.625 1.5236 0.0003 \n0.630 1.5233 0.0003 \n0.635 1.5231 0.0003 \n0.640 1.5228 0.0003 \n0.645 1.5225 0.0003 \n0.650 1.5223 0.0003 \n0.655 1.5220 0.0003 \n0.660 1.5218 0.0003 \n0.665 1.5215 0.0003 \n0.670 1.5213 0.0003 \n0.675 1.5211 0.0003 \n0.680 1.5208 0.0003 \n0.685 1.5206 0.0003 \n0.690 1.5204 0.0003 \n0.695 1.5202 0.0003 \n0.700 1.5200 0.0003 \n0.705 1.5198 0.0003 \n0.710 1.5196 0.0003 \n0.715 1.5194 0.0003 \n0.720 1.5192 0.0003 \n0.725 1.5190 0.0003 \n0.730 1.5188 0.0003 \n0.735 1.5186 0.0003 \n0.740 1.5184 0.0003 \n0.745 1.5183 0.0003 \n0.750 1.5181 0.0003 \n0.755 1.5179 0.0003 \n0.760 1.5178 0.0003 \n0.765 1.5176 0.0003 \n0.770 1.5174 0.0003 \n0.775 1.5173 0.0003 \n0.780 1.5171 0.0003 \n0.785 1.5170 0.0003 \n0.790 1.5168 0.0003 \n0.795 1.5167 0.0003 \n0.800 1.5165 0.0003 \n0.805 1.5164 0.0003 \n0.810 1.5163 0.0003 \n0.815 1.5161 0.0003 \n0.820 1.5160 0.0003 \n0.825 1.5159 0.0003 \n0.830 1.5157 0.0003 \n0.835 1.5156 0.0003 \n0.840 1.5155 0.0003 \n0.845 1.5154 0.0003 \n0.850 1.5153 0.0003 \n0.855 1.5151 0.0003 \n0.860 1.5150 0.0003 \n0.865 1.5149 0.0003 \n0.870 1.5148 0.0003 \n0.875 1.5147 0.0003 \n0.880 1.5146 0.0003 \n0.885 1.5145 0.0003 \n0.890 1.5144 0.0003 \n0.895 1.5143 0.0003 \n0.900 1.5142 0.0003 \n0.905 1.5141 0.0003 \n0.910 1.5140 0.0003 \n0.915 1.5139 0.0003 \n0.920 1.5138 0.0003 \n0.925 1.5137 0.0003 \n0.930 1.5136 0.0003 \n0.935 1.5135 0.0003 \n0.940 1.5134 0.0003 \n0.945 1.5133 0.0003 \n0.950 1.5132 0.0003 \n0.955 1.5132 0.0003 \n0.960 1.5131 0.0003 \n0.965 1.5130 0.0003 \n0.970 1.5129 0.0003 \n0.975 1.5128 0.0003 \n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n" }, { "path": "UTIL/inline_phot_preproc/refractive_indices/IE_refractive_indices/nakayama_2018_isoprene_NOX_SOA_refractive_indices.txt", "content": "ISOP_NOX_SOA\n!Complex Refractive Index for Secondary Organic Aerosol from Isoprene \n!based on chamber cases with (1) isoprene, ozone, SO2 and (5) isoprene, ozone, and NOx\n! \n!as described in \n! Tomoki Nakayama, Kei Sato, Takashi Imamura, and Yutaka Matsumi (2018).\n! Effect of Oxidation Process on Complex Refractive Index of Secondary Organic Aerosol Generated from Isoprene.\n! Environmental Science & Technology 2018 52 (5), 2566-2574. DOI: 10.1021/acs.est.7b05852\n!\n! real part calculated using a polynominal fit (Cauchy's Equation) based on observed \n! in Table S5 of Nakayama et al. (2018) supporting info. \n!\n! Cauchy's equation m = a + b*wave^-2 + c*wave^-4, wave in nm\n! For case, isoprene/O3/SO2: a = 1.360, b = 2.62E+04, c = -1.29E+09\n! for case, isoprene/O3/NOx: a = 1.417, b = -6.78E+03, c = 2.05E+09\n!\n! imaginary part for k_so2 was calculated using the Angstrom exponents between the observed data values \n!\n!Wave Interval, nm Angstrom Exponent\n! 210 to 300 0.000\n! 300 to 375 14.680\n! 375 to 405 14.680\n! 405 to 532 3.106\n! 532 to 860 3.747\n!\n! Note that values held constant below 300 nm because the shortest wavelength on data in 375 nm.\n!wl,um m_nox k_nox\n0.150 1.594 0.0000\n0.210 1.594 0.0000\n0.215 1.594 0.0000\n0.220 1.594 0.0000\n0.225 1.594 0.0000\n0.230 1.594 0.0000\n0.235 1.594 0.0000\n0.240 1.594 0.0000\n0.245 1.594 0.0000\n0.250 1.594 0.0000\n0.255 1.594 0.0000\n0.260 1.594 0.0000\n0.265 1.594 0.0000\n0.270 1.594 0.0000\n0.275 1.594 0.0000\n0.280 1.594 0.0000\n0.285 1.594 0.0000\n0.290 1.594 0.0000\n0.295 1.594 0.0000\n0.300 1.594 0.0000\n0.305 1.581 0.0000\n0.310 1.568 0.0000\n0.315 1.557 0.0000\n0.320 1.546 0.0000\n0.325 1.536 0.0000\n0.330 1.527 0.0000\n0.335 1.519 0.0000\n0.340 1.512 0.0000\n0.345 1.505 0.0000\n0.350 1.498 0.0000\n0.355 1.492 0.0000\n0.360 1.487 0.0000\n0.365 1.481 0.0000\n0.370 1.477 0.0000\n0.375 1.472 0.0000\n0.380 1.468 0.0000\n0.385 1.464 0.0000\n0.390 1.461 0.0000\n0.395 1.458 0.0000\n0.400 1.455 0.0000\n0.405 1.452 0.0000\n0.410 1.449 0.0000\n0.415 1.447 0.0000\n0.420 1.444 0.0000\n0.425 1.442 0.0000\n0.430 1.440 0.0000\n0.435 1.438 0.0000\n0.440 1.437 0.0000\n0.445 1.435 0.0000\n0.450 1.433 0.0000\n0.455 1.432 0.0000\n0.460 1.431 0.0000\n0.465 1.429 0.0000\n0.470 1.428 0.0000\n0.475 1.427 0.0000\n0.480 1.426 0.0000\n0.485 1.425 0.0000\n0.490 1.424 0.0000\n0.495 1.423 0.0000\n0.500 1.423 0.0000\n0.505 1.422 0.0000\n0.510 1.421 0.0000\n0.515 1.421 0.0000\n0.520 1.420 0.0000\n0.525 1.419 0.0000\n0.530 1.419 0.0000\n0.535 1.418 0.0000\n0.540 1.418 0.0000\n0.545 1.417 0.0000\n0.550 1.417 0.0000\n0.555 1.417 0.0000\n0.560 1.416 0.0000\n0.565 1.416 0.0000\n0.570 1.416 0.0000\n0.575 1.415 0.0000\n0.580 1.415 0.0000\n0.585 1.415 0.0000\n0.590 1.414 0.0000\n0.595 1.414 0.0000\n0.600 1.414 0.0000\n0.605 1.414 0.0000\n0.610 1.414 0.0000\n0.615 1.413 0.0000\n0.620 1.413 0.0000\n0.625 1.413 0.0000\n0.630 1.413 0.0000\n0.635 1.413 0.0000\n0.640 1.413 0.0000\n0.645 1.413 0.0000\n0.650 1.412 0.0000\n0.655 1.412 0.0000\n0.660 1.412 0.0000\n0.665 1.412 0.0000\n0.670 1.412 0.0000\n0.675 1.412 0.0000\n0.680 1.412 0.0000\n0.685 1.412 0.0000\n0.690 1.412 0.0000\n0.695 1.412 0.0000\n0.700 1.412 0.0000\n0.705 1.412 0.0000\n0.710 1.412 0.0000\n0.715 1.412 0.0000\n0.720 1.412 0.0000\n0.725 1.412 0.0000\n0.730 1.411 0.0000\n0.735 1.411 0.0000\n0.740 1.411 0.0000\n0.745 1.411 0.0000\n0.750 1.411 0.0000\n0.755 1.411 0.0000\n0.760 1.411 0.0000\n0.765 1.411 0.0000\n0.770 1.411 0.0000\n0.775 1.411 0.0000\n0.780 1.411 0.0000\n0.785 1.411 0.0000\n0.790 1.411 0.0000\n0.795 1.411 0.0000\n0.800 1.411 0.0000\n0.805 1.411 0.0000\n0.810 1.411 0.0000\n0.815 1.411 0.0000\n0.820 1.411 0.0000\n0.825 1.411 0.0000\n0.830 1.411 0.0000\n0.835 1.411 0.0000\n0.840 1.412 0.0000\n0.845 1.412 0.0000\n0.850 1.412 0.0000\n0.855 1.412 0.0000\n0.860 1.412 0.0000\n3.000 1.412 0.0000\n4.200 1.412 0.0000\n" }, { "path": "UTIL/inline_phot_preproc/refractive_indices/IE_refractive_indices/nakayama_2018_isoprene_SOX_SOA_refractive_indices.txt", "content": "ISOP_SULF_SOA\n!Complex Refractive Index for Secondary Organic Aerosol from Isoprene \n!based on chamber cases with (1) isoprene, ozone, SO2 and (5) isoprene, ozone, and NOx\n! \n!as described in \n! Tomoki Nakayama, Kei Sato, Takashi Imamura, and Yutaka Matsumi (2018).\n! Effect of Oxidation Process on Complex Refractive Index of Secondary Organic Aerosol Generated from Isoprene.\n! Environmental Science & Technology 2018 52 (5), 2566-2574. DOI: 10.1021/acs.est.7b05852\n!\n! real part calculated using a polynominal fit (Cauchy's Equation) based on observed \n! in Table S5 of Nakayama et al. (2018) supporting info. \n!\n! Cauchy's equation m = a + b*wave^-2 + c*wave^-4, wave in nm\n! For case, isoprene/O3/SO2: a = 1.360, b = 2.62E+04, c = -1.29E+09\n! for case, isoprene/O3/NOx: a = 1.417, b = -6.78E+03, c = 2.05E+09\n!\n! imaginary part for k_so2 was calculated using the Angstrom exponents between the observed data values \n!\n!Wave Interval, nm Angstrom Exponent\n! 210 to 300 0.000\n! 300 to 375 14.680\n! 375 to 405 14.680\n! 405 to 532 3.106\n! 532 to 860 3.747\n!\n! Note that values held constant below 300 nm because the shortest wavelength on data in 375 nm.\n!wl,um m_so2 k_so2 \n0.150 1.488 0.0133 \n0.210 1.488 0.0133 \n0.215 1.488 0.0133 \n0.220 1.488 0.0133 \n0.225 1.488 0.0133 \n0.230 1.488 0.0133 \n0.235 1.488 0.0133 \n0.240 1.488 0.0133 \n0.245 1.488 0.0133 \n0.250 1.488 0.0133 \n0.255 1.488 0.0133 \n0.260 1.488 0.0133 \n0.265 1.488 0.0133 \n0.270 1.488 0.0133 \n0.275 1.488 0.0133 \n0.280 1.488 0.0133 \n0.285 1.488 0.0133 \n0.290 1.488 0.0133 \n0.295 1.488 0.0133 \n0.300 1.488 0.0133 \n0.305 1.489 0.0133 \n0.310 1.490 0.0133 \n0.315 1.490 0.0133 \n0.320 1.489 0.0133 \n0.325 1.489 0.0133 \n0.330 1.488 0.0133 \n0.335 1.488 0.0133 \n0.340 1.487 0.0133 \n0.345 1.486 0.0133 \n0.350 1.485 0.0133 \n0.355 1.483 0.0133 \n0.360 1.482 0.0133 \n0.365 1.481 0.0133 \n0.370 1.479 0.0133 \n0.375 1.478 0.0130 \n0.380 1.476 0.0126 \n0.385 1.475 0.0120 \n0.390 1.473 0.0115 \n0.395 1.472 0.0111 \n0.400 1.470 0.0106 \n0.405 1.469 0.0042 \n0.410 1.467 0.0040 \n0.415 1.465 0.0039 \n0.420 1.464 0.0037 \n0.425 1.462 0.0036 \n0.430 1.461 0.0034 \n0.435 1.459 0.0033 \n0.440 1.458 0.0032 \n0.445 1.456 0.0031 \n0.450 1.455 0.0030 \n0.455 1.453 0.0028 \n0.460 1.452 0.0027 \n0.465 1.450 0.0026 \n0.470 1.449 0.0026 \n0.475 1.448 0.0025 \n0.480 1.446 0.0024 \n0.485 1.445 0.0023 \n0.490 1.444 0.0022 \n0.495 1.442 0.0022 \n0.500 1.441 0.0021 \n0.505 1.440 0.0020 \n0.510 1.439 0.0019 \n0.515 1.437 0.0019 \n0.520 1.436 0.0018 \n0.525 1.435 0.0018 \n0.530 1.434 0.0017 \n0.535 1.433 0.0018 \n0.540 1.432 0.0017 \n0.545 1.430 0.0016 \n0.550 1.429 0.0016 \n0.555 1.428 0.0015 \n0.560 1.427 0.0015 \n0.565 1.426 0.0014 \n0.570 1.425 0.0014 \n0.575 1.424 0.0013 \n0.580 1.423 0.0013 \n0.585 1.422 0.0013 \n0.590 1.422 0.0012 \n0.595 1.421 0.0012 \n0.600 1.420 0.0011 \n0.605 1.419 0.0011 \n0.610 1.418 0.0011 \n0.615 1.417 0.0010 \n0.620 1.416 0.0010 \n0.625 1.416 0.0010 \n0.630 1.415 0.0010 \n0.635 1.414 0.0009 \n0.640 1.413 0.0009 \n0.645 1.412 0.0009 \n0.650 1.412 0.0008 \n0.655 1.411 0.0008 \n0.660 1.410 0.0008 \n0.665 1.410 0.0008 \n0.670 1.409 0.0008 \n0.675 1.408 0.0007 \n0.680 1.408 0.0007 \n0.685 1.407 0.0007 \n0.690 1.406 0.0007 \n0.695 1.406 0.0007 \n0.700 1.405 0.0006 \n0.705 1.404 0.0006 \n0.710 1.404 0.0006 \n0.715 1.403 0.0006 \n0.720 1.403 0.0006 \n0.725 1.402 0.0006 \n0.730 1.402 0.0005 \n0.735 1.401 0.0005 \n0.740 1.401 0.0005 \n0.745 1.400 0.0005 \n0.750 1.399 0.0005 \n0.755 1.399 0.0005 \n0.760 1.398 0.0005 \n0.765 1.398 0.0005 \n0.770 1.397 0.0005 \n0.775 1.397 0.0004 \n0.780 1.397 0.0004 \n0.785 1.396 0.0005 \n0.790 1.396 0.0005 \n0.795 1.395 0.0005 \n0.800 1.395 0.0005 \n0.805 1.394 0.0005 \n0.810 1.394 0.0005 \n0.815 1.393 0.0005 \n0.820 1.393 0.0005 \n0.825 1.393 0.0005 \n0.830 1.392 0.0005 \n0.835 1.392 0.0005 \n0.840 1.392 0.0005 \n0.845 1.391 0.0005 \n0.850 1.391 0.0005 \n0.855 1.390 0.0005 \n0.860 1.390 0.0005 \n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n" }, { "path": "UTIL/inline_phot_preproc/refractive_indices/OPAC_water_clouds/inso00", "content": "DUST\n! Optical Parmeters of water-insoluble (dust) aerosol material\n! consists mostly of soil particles with a certain amount of\n! organic material.\n! from file inso00 of\n! Hess, M. P. Koepke, and I. Schult, Optical properties of\n! aerosols and clouds: The software package OPAC, Bulletan of\n! the American Meteorological Society, Vol 79, No 5, \n! pp 831 - 844, May 1998. \n! OPAC is a downloadable data set of optical properties of \n! 10 aerosol components, 6 water clouds and 3 cirrus clouds \n! at UV, visible and IR wavelengths\n! www.lrz-muenchen.de/~uh234an/www/radaer/opac.htm\n! size distribution: lognormal\n! ------------------\n! minimum radius, [um]: 5.000E-03\n! maximum radius, [um]: 2.000E+01\n! sigma: 2.510E+00\n! Rmod (wet), [um]: 4.710E-01\n! Rmod (dry), [um]: 4.710E-01\n! optical parameters:\n! -------------------\n!\n!wavelength ref.real ref.imag ext.coef sca.coef abs.coef si.sc.alb asym.par ext.nor \n! [um] [1/km] [1/km] [1/km]\n1.500E-01 1.530E+00 5.200E-02\n2.500E-01 1.530E+00 3.000E-02 8.052E-03 4.447E-03 3.604E-03 5.524E-01 0.939E+00 9.477E-01 \n3.000E-01 1.530E+00 8.000E-03 8.132E-03 5.366E-03 2.766E-03 6.598E-01 0.882E+00 9.572E-01 \n3.500E-01 1.530E+00 8.000E-03 8.213E-03 5.555E-03 2.658E-03 6.763E-01 0.871E+00 9.667E-01 \n4.000E-01 1.530E+00 8.000E-03 8.282E-03 5.729E-03 2.553E-03 6.918E-01 0.860E+00 9.748E-01 \n4.500E-01 1.530E+00 8.000E-03 8.359E-03 5.897E-03 2.463E-03 7.054E-01 0.849E+00 9.839E-01 \n5.000E-01 1.530E+00 8.000E-03 8.424E-03 6.052E-03 2.372E-03 7.184E-01 0.840E+00 9.916E-01 \n5.500E-01 1.530E+00 8.000E-03 8.496E-03 6.202E-03 2.294E-03 7.300E-01 0.831E+00 1.000E+00 \n6.000E-01 1.530E+00 8.000E-03 8.562E-03 6.343E-03 2.219E-03 7.408E-01 0.822E+00 1.008E+00 \n6.500E-01 1.530E+00 8.000E-03 8.634E-03 6.479E-03 2.155E-03 7.504E-01 0.815E+00 1.016E+00 \n7.000E-01 1.530E+00 8.000E-03 8.698E-03 6.607E-03 2.091E-03 7.596E-01 0.808E+00 1.024E+00 \n7.500E-01 1.530E+00 8.000E-03 8.755E-03 6.728E-03 2.027E-03 7.685E-01 0.801E+00 1.031E+00 \n8.000E-01 1.520E+00 8.000E-03 8.817E-03 6.850E-03 1.967E-03 7.769E-01 0.797E+00 1.038E+00 \n9.000E-01 1.520E+00 8.000E-03 8.935E-03 7.070E-03 1.865E-03 7.913E-01 0.787E+00 1.052E+00 \n1.000E+00 1.520E+00 8.000E-03 9.039E-03 7.266E-03 1.773E-03 8.039E-01 0.777E+00 1.064E+00 \n1.250E+00 1.460E+00 8.000E-03 9.283E-03 7.717E-03 1.566E-03 8.313E-01 0.780E+00 1.093E+00 \n1.500E+00 1.410E+00 8.000E-03 9.386E-03 8.004E-03 1.382E-03 8.528E-01 0.791E+00 1.105E+00 \n1.750E+00 1.340E+00 8.000E-03 9.243E-03 8.035E-03 1.208E-03 8.693E-01 0.822E+00 1.088E+00 \n2.000E+00 1.260E+00 8.000E-03 8.601E-03 7.569E-03 1.032E-03 8.800E-01 0.868E+00 1.012E+00 \n2.500E+00 1.180E+00 9.000E-03 6.782E-03 5.911E-03 8.712E-04 8.715E-01 0.915E+00 7.983E-01 \n3.000E+00 1.160E+00 1.200E-02 5.628E-03 4.708E-03 9.202E-04 8.365E-01 0.923E+00 6.625E-01 \n3.200E+00 1.220E+00 1.000E-02 6.709E-03 5.898E-03 8.106E-04 8.792E-01 0.886E+00 7.897E-01 \n3.390E+00 1.258E+00 1.285E-02 7.139E-03 6.153E-03 9.858E-04 8.619E-01 0.864E+00 8.403E-01 \n3.500E+00 1.280E+00 1.100E-02 7.364E-03 6.496E-03 8.675E-04 8.822E-01 0.848E+00 8.668E-01 \n3.750E+00 1.270E+00 1.100E-02 6.971E-03 6.161E-03 8.098E-04 8.838E-01 0.852E+00 8.205E-01 \n4.000E+00 1.260E+00 1.200E-02 6.563E-03 5.749E-03 8.141E-04 8.760E-01 0.857E+00 7.726E-01 \n4.500E+00 1.260E+00 1.400E-02 6.095E-03 5.261E-03 8.341E-04 8.632E-01 0.854E+00 7.174E-01 \n5.000E+00 1.250E+00 1.600E-02 5.498E-03 4.659E-03 8.389E-04 8.474E-01 0.857E+00 6.471E-01 \n5.500E+00 1.220E+00 2.100E-02 4.587E-03 3.658E-03 9.296E-04 7.974E-01 0.871E+00 5.400E-01 \n6.000E+00 1.150E+00 3.700E-02 3.121E-03 1.887E-03 1.234E-03 6.046E-01 0.898E+00 3.674E-01 \n6.200E+00 1.140E+00 3.900E-02 2.872E-03 1.635E-03 1.237E-03 5.693E-01 0.900E+00 3.381E-01 \n6.500E+00 1.130E+00 4.200E-02 2.615E-03 1.369E-03 1.246E-03 5.235E-01 0.899E+00 3.078E-01 \n7.200E+00 1.400E+00 5.500E-02 6.029E-03 4.260E-03 1.768E-03 7.067E-01 0.778E+00 7.096E-01 \n7.900E+00 1.150E+00 4.000E-02 2.378E-03 1.325E-03 1.053E-03 5.573E-01 0.877E+00 2.799E-01 \n8.200E+00 1.130E+00 7.420E-02 2.499E-03 9.265E-04 1.572E-03 3.708E-01 0.869E+00 2.941E-01 \n8.500E+00 1.300E+00 9.000E-02 4.418E-03 2.431E-03 1.986E-03 5.504E-01 0.811E+00 5.200E-01 \n8.700E+00 1.400E+00 1.000E-01 5.355E-03 3.136E-03 2.220E-03 5.855E-01 0.773E+00 6.303E-01 \n9.000E+00 1.700E+00 1.400E-01 7.368E-03 4.406E-03 2.963E-03 5.979E-01 0.677E+00 8.673E-01 \n9.200E+00 1.720E+00 1.500E-01 7.385E-03 4.348E-03 3.037E-03 5.888E-01 0.672E+00 8.693E-01 \n9.500E+00 1.730E+00 1.620E-01 7.311E-03 4.219E-03 3.093E-03 5.770E-01 0.669E+00 8.606E-01 \n9.800E+00 1.740E+00 1.620E-01 7.238E-03 4.188E-03 3.050E-03 5.786E-01 0.663E+00 8.520E-01 \n1.000E+01 1.750E+00 1.620E-01 7.206E-03 4.181E-03 3.025E-03 5.802E-01 0.658E+00 8.482E-01 \n1.060E+01 1.620E+00 1.200E-01 6.234E-03 3.829E-03 2.405E-03 6.142E-01 0.682E+00 7.338E-01 \n1.100E+01 1.620E+00 1.050E-01 6.059E-03 3.880E-03 2.179E-03 6.404E-01 0.674E+00 7.131E-01 \n1.150E+01 1.590E+00 1.000E-01 5.666E-03 3.647E-03 2.019E-03 6.436E-01 0.679E+00 6.669E-01 \n1.250E+01 1.510E+00 9.000E-02 4.735E-03 3.038E-03 1.696E-03 6.417E-01 0.697E+00 5.573E-01 \n1.300E+01 1.470E+00 1.000E-01 4.321E-03 2.601E-03 1.720E-03 6.020E-01 0.708E+00 5.086E-01 \n1.400E+01 1.520E+00 8.500E-02 4.311E-03 2.821E-03 1.490E-03 6.544E-01 0.681E+00 5.074E-01 \n1.480E+01 1.570E+00 1.000E-01 4.440E-03 2.816E-03 1.624E-03 6.342E-01 0.661E+00 5.226E-01 \n1.500E+01 1.570E+00 1.000E-01 4.383E-03 2.778E-03 1.605E-03 6.338E-01 0.660E+00 5.159E-01 \n1.640E+01 1.600E+00 1.000E-01 4.177E-03 2.675E-03 1.502E-03 6.403E-01 0.641E+00 4.917E-01 \n1.720E+01 1.630E+00 1.000E-01 4.136E-03 2.678E-03 1.458E-03 6.475E-01 0.627E+00 4.868E-01 \n1.800E+01 1.640E+00 1.150E-01 4.037E-03 2.496E-03 1.540E-03 6.184E-01 0.621E+00 4.752E-01 \n1.850E+01 1.640E+00 1.200E-01 3.938E-03 2.394E-03 1.544E-03 6.079E-01 0.619E+00 4.635E-01 \n2.000E+01 1.680E+00 2.200E-01 4.093E-03 1.968E-03 2.125E-03 4.808E-01 0.601E+00 4.817E-01 \n2.130E+01 1.770E+00 2.800E-01 4.309E-03 1.956E-03 2.353E-03 4.540E-01 0.571E+00 5.072E-01 \n2.250E+01 1.900E+00 2.800E-01 4.445E-03 2.146E-03 2.299E-03 4.828E-01 0.542E+00 5.232E-01 \n2.500E+01 1.970E+00 2.400E-01 4.090E-03 2.136E-03 1.954E-03 5.224E-01 0.519E+00 4.814E-01 \n2.790E+01 1.890E+00 3.200E-01 3.635E-03 1.590E-03 2.046E-03 4.373E-01 0.513E+00 4.279E-01 \n3.000E+01 1.800E+00 4.200E-01 3.471E-03 1.229E-03 2.242E-03 3.540E-01 0.498E+00 4.085E-01 \n3.500E+01 1.900E+00 5.000E-01 3.258E-03 1.094E-03 2.164E-03 3.359E-01 0.451E+00 3.835E-01 \n4.000E+01 2.100E+00 6.000E-01 3.146E-03 1.070E-03 2.076E-03 3.402E-01 0.401E+00 3.703E-01 \n" }, { "path": "UTIL/inline_phot_preproc/refractive_indices/OPAC_water_clouds/soot00", "content": "SOOT \n! Optical Parmeters of Soot at 0% relative huimidity from\n! Hess, M. P. Koepke, and I. Schult, Optical properties of\n! aerosols and clouds: The software package OPAC, Bulletan of\n! the American Meteorological Society, Vol 79, No 5, \n! pp 831 - 844, May 1998.\n! from file soot00 of \n! OPAC is a downloadable data set of optical properties of \n! 10 aerosol components, 6 water clouds and 3 cirrus clouds \n! at UV, visible and IR wavelengths\n! www.lrz-muenchen.de/~uh234an/www/radaer/opac.htm\n! size distribution: lognormal\n! ------------------\n! minimum radius, [um]: 5.000E-03\n! maximum radius, [um]: 2.000E+01\n! sigma: 2.000E+00\n! Rmod (wet), [um]: 1.180E-02\n! Rmod (dry), [um]: 1.180E-02\n! optical parameters:\n! -------------------\n!wavelength ref.real ref.imag ext.coef sca.coef abs.coef si.sc.alb asym.par ext.nor \n! [um] [1/km] [1/km] [1/km]\n2.500E-01 1.620E+00 4.500E-01 1.356E-06 4.177E-07 9.381E-07 3.081E-01 0.502E+00 2.447E+00 \n3.000E-01 1.740E+00 4.700E-01 1.212E-06 3.790E-07 8.329E-07 3.128E-01 0.453E+00 2.188E+00 \n3.500E-01 1.750E+00 4.650E-01 1.017E-06 2.957E-07 7.217E-07 2.906E-01 0.422E+00 1.837E+00 \n4.000E-01 1.750E+00 4.600E-01 8.612E-07 2.301E-07 6.311E-07 2.672E-01 0.396E+00 1.555E+00 \n4.500E-01 1.750E+00 4.550E-01 7.375E-07 1.811E-07 5.564E-07 2.456E-01 0.374E+00 1.331E+00 \n5.000E-01 1.750E+00 4.500E-01 6.385E-07 1.441E-07 4.943E-07 2.257E-01 0.353E+00 1.153E+00 \n5.500E-01 1.750E+00 4.400E-01 5.540E-07 1.157E-07 4.383E-07 2.088E-01 0.336E+00 1.000E+00 \n6.000E-01 1.750E+00 4.350E-01 4.885E-07 9.380E-08 3.947E-07 1.920E-01 0.320E+00 8.818E-01 \n6.500E-01 1.750E+00 4.350E-01 4.379E-07 7.688E-08 3.611E-07 1.756E-01 0.305E+00 7.906E-01 \n7.000E-01 1.750E+00 4.300E-01 3.923E-07 6.340E-08 3.289E-07 1.616E-01 0.291E+00 7.082E-01 \n7.500E-01 1.750E+00 4.300E-01 3.570E-07 5.279E-08 3.043E-07 1.479E-01 0.278E+00 6.445E-01 \n8.000E-01 1.750E+00 4.300E-01 3.270E-07 4.427E-08 2.828E-07 1.354E-01 0.266E+00 5.904E-01 \n9.000E-01 1.750E+00 4.350E-01 2.818E-07 3.183E-08 2.500E-07 1.129E-01 0.244E+00 5.087E-01 \n1.000E+00 1.760E+00 4.400E-01 2.467E-07 2.381E-08 2.229E-07 9.653E-02 0.225E+00 4.453E-01 \n1.250E+00 1.760E+00 4.500E-01 1.890E-07 1.201E-08 1.770E-07 6.354E-02 0.186E+00 3.412E-01 \n1.500E+00 1.770E+00 4.600E-01 1.533E-07 6.755E-09 1.465E-07 4.407E-02 0.158E+00 2.767E-01 \n1.750E+00 1.790E+00 4.800E-01 1.311E-07 4.176E-09 1.270E-07 3.184E-02 0.135E+00 2.367E-01 \n2.000E+00 1.800E+00 4.900E-01 1.139E-07 2.667E-09 1.112E-07 2.343E-02 0.117E+00 2.055E-01 \n2.500E+00 1.820E+00 5.100E-01 9.081E-08 1.236E-09 8.958E-08 1.361E-02 0.911E-01 1.639E-01 \n3.000E+00 1.840E+00 5.400E-01 7.743E-08 6.572E-10 7.678E-08 8.487E-03 0.723E-01 1.398E-01 \n3.200E+00 1.860E+00 5.400E-01 7.113E-08 5.253E-10 7.061E-08 7.385E-03 0.672E-01 1.284E-01 \n3.390E+00 1.870E+00 5.495E-01 6.749E-08 4.292E-10 6.706E-08 6.359E-03 0.623E-01 1.218E-01 \n3.500E+00 1.880E+00 5.600E-01 6.584E-08 3.875E-10 6.545E-08 5.886E-03 0.597E-01 1.189E-01 \n3.750E+00 1.900E+00 5.700E-01 6.123E-08 3.055E-10 6.092E-08 4.989E-03 0.546E-01 1.105E-01 \n4.000E+00 1.920E+00 5.800E-01 5.720E-08 2.444E-10 5.696E-08 4.273E-03 0.502E-01 1.033E-01 \n4.500E+00 1.940E+00 5.900E-01 5.057E-08 1.582E-10 5.041E-08 3.128E-03 0.424E-01 9.128E-02 \n5.000E+00 1.970E+00 6.000E-01 4.492E-08 1.080E-10 4.481E-08 2.404E-03 0.366E-01 8.108E-02 \n5.500E+00 1.990E+00 6.100E-01 4.066E-08 7.582E-11 4.058E-08 1.865E-03 0.316E-01 7.340E-02 \n6.000E+00 2.020E+00 6.200E-01 3.681E-08 5.534E-11 3.675E-08 1.504E-03 0.278E-01 6.644E-02 \n6.200E+00 2.030E+00 6.250E-01 3.555E-08 4.912E-11 3.550E-08 1.382E-03 0.264E-01 6.418E-02 \n6.500E+00 2.040E+00 6.300E-01 3.384E-08 4.112E-11 3.380E-08 1.215E-03 0.245E-01 6.109E-02 \n7.200E+00 2.060E+00 6.500E-01 3.084E-08 2.814E-11 3.081E-08 9.124E-04 0.206E-01 5.567E-02 \n7.900E+00 2.120E+00 6.700E-01 2.741E-08 2.049E-11 2.739E-08 7.477E-04 0.180E-01 4.948E-02 \n8.200E+00 2.130E+00 6.800E-01 2.652E-08 1.789E-11 2.650E-08 6.745E-04 0.169E-01 4.787E-02 \n8.500E+00 2.150E+00 6.900E-01 2.547E-08 1.578E-11 2.545E-08 6.198E-04 0.159E-01 4.597E-02 \n8.700E+00 2.160E+00 6.900E-01 2.467E-08 1.446E-11 2.465E-08 5.862E-04 0.154E-01 4.453E-02 \n9.000E+00 2.170E+00 7.000E-01 2.394E-08 1.278E-11 2.392E-08 5.340E-04 0.145E-01 4.321E-02 \n9.200E+00 2.180E+00 7.000E-01 2.321E-08 1.177E-11 2.320E-08 5.069E-04 0.140E-01 4.191E-02 \n9.500E+00 2.190E+00 7.100E-01 2.256E-08 1.047E-11 2.255E-08 4.641E-04 0.132E-01 4.073E-02 \n9.800E+00 2.200E+00 7.150E-01 2.182E-08 9.324E-12 2.181E-08 4.274E-04 0.125E-01 3.938E-02 \n1.000E+01 2.210E+00 7.200E-01 2.133E-08 8.672E-12 2.132E-08 4.066E-04 0.121E-01 3.850E-02 \n1.060E+01 2.220E+00 7.300E-01 2.018E-08 6.942E-12 2.017E-08 3.440E-04 0.109E-01 3.643E-02 \n1.100E+01 2.230E+00 7.300E-01 1.928E-08 6.012E-12 1.927E-08 3.119E-04 0.102E-01 3.480E-02 \n1.150E+01 2.240E+00 7.400E-01 1.850E-08 5.086E-12 1.849E-08 2.750E-04 0.937E-02 3.339E-02 \n1.250E+01 2.270E+00 7.500E-01 1.678E-08 3.715E-12 1.677E-08 2.214E-04 0.810E-02 3.029E-02 \n1.300E+01 2.280E+00 7.600E-01 1.618E-08 3.208E-12 1.617E-08 1.983E-04 0.751E-02 2.920E-02 \n1.400E+01 2.310E+00 7.750E-01 1.489E-08 2.437E-12 1.489E-08 1.636E-04 0.659E-02 2.688E-02 \n1.480E+01 2.330E+00 7.900E-01 1.408E-08 1.984E-12 1.407E-08 1.409E-04 0.596E-02 2.541E-02 \n1.500E+01 2.330E+00 7.900E-01 1.389E-08 1.879E-12 1.389E-08 1.353E-04 0.580E-02 2.507E-02 \n1.640E+01 2.360E+00 8.100E-01 1.265E-08 1.345E-12 1.265E-08 1.064E-04 0.492E-02 2.283E-02 \n1.720E+01 2.380E+00 8.200E-01 1.198E-08 1.126E-12 1.198E-08 9.400E-05 0.451E-02 2.163E-02 \n1.800E+01 2.400E+00 8.250E-01 1.132E-08 9.483E-13 1.132E-08 8.380E-05 0.418E-02 2.043E-02 \n1.850E+01 2.410E+00 8.300E-01 1.098E-08 8.551E-13 1.098E-08 7.790E-05 0.397E-02 1.981E-02 \n2.000E+01 2.450E+00 8.500E-01 1.002E-08 6.414E-13 1.002E-08 6.402E-05 0.347E-02 1.809E-02 \n2.130E+01 2.460E+00 8.600E-01 9.419E-09 5.025E-13 9.418E-09 5.335E-05 0.307E-02 1.700E-02 \n2.250E+01 2.480E+00 8.700E-01 8.855E-09 4.081E-13 8.855E-09 4.607E-05 0.279E-02 1.598E-02 \n2.500E+01 2.510E+00 8.900E-01 7.920E-09 2.728E-13 7.920E-09 3.445E-05 0.232E-02 1.430E-02 \n2.790E+01 2.540E+00 9.100E-01 7.050E-09 1.791E-13 7.050E-09 2.539E-05 0.186E-02 1.273E-02 \n3.000E+01 2.570E+00 9.300E-01 6.512E-09 1.363E-13 6.512E-09 2.092E-05 0.167E-02 1.176E-02 \n3.500E+01 2.630E+00 9.700E-01 5.499E-09 7.608E-14 5.499E-09 1.383E-05 0.130E-02 9.926E-03 \n4.000E+01 2.690E+00 1.000E+00 4.699E-09 4.583E-14 4.699E-09 9.775E-06 0.120E-02 8.482E-03 " }, { "path": "UTIL/inline_phot_preproc/refractive_indices/OPAC_water_clouds/soot00-two_way-Oct_21_2012", "content": "SOOT \n!References: \n! 1) For 2.0460 <= lambda <= 3.4615,\n! C&C Chang,H and T.T. Charalmpopoulos (1990) Determination of the\n! wavelength dependence of refractive indices of flame soot,\n! Proceeding of the Royal Society of London A, Vol. 430, pp 577-591.\n!\n! 2) For 1.0101 <= lambda < 1.7840,\n! B&B Bond, T.C. & R.W. Bergstrom (2006) Light absorption by\n! Carbonaceous Particles: An investigative review,\n! Aerosol Science and Technology. Vol. 40. pp 27-67\n!\n! 3) For 0.2316 <= lanbda < 0.70160,\n! Bond Personal Communication from Tami Bond\n! 4) At 0.1500 um added a floor for shortest wavelength bands\n! -------------------\n!wvl,um nr ni\n0.15000 1.850 0.710\n0.23160 1.850 0.710\n0.29900 1.850 0.710\n0.38815 1.850 0.710\n0.53325 1.850 0.710\n1.01010 1.870 0.726\n1.27050 1.905 0.737\n1.78400 1.940 0.760\n2.04600 1.950 0.784\n2.78850 2.014 0.939\n3.46150 2.089 1.070\n\n" }, { "path": "UTIL/inline_phot_preproc/refractive_indices/OPAC_water_clouds/ssam00", "content": "SEASALT\n! Optical Parmeters of Sea Salt aerosol in accumulation mode \n! at 0% relative huimidity from file ssam00 of\n! Hess, M. P. Koepke, and I. Schult, Optical properties of\n! aerosols and clouds: The software package OPAC, Bulletan of\n! the American Meteorological Society, Vol 79, No 5, \n! pp 831 - 844, May 1998. \n! OPAC is a downloadable data set of optical properties of \n! 10 aerosol components, 6 water clouds and 3 cirrus clouds \n! at UV, visible and IR wavelengths\n! www.lrz-muenchen.de/~uh234an/www/radaer/opac.htm\n! size distribution: lognormal\n! ------------------\n! minimum radius, [um]: 5.000E-03\n! maximum radius, [um]: 2.000E+01\n! sigma: 2.030E+00\n! Rmod (wet), [um]: 2.090E-01\n! Rmod (dry), [um]: 2.090E-01\n! optical parameters:\n! -------------------\n!wavelength ref.real ref.imag ext.coef sca.coef abs.coef si.sc.alb asym.par ext.nor \n! [um] [1/km] [1/km] [1/km]\n1.500E-01 1.510E+00 8.000E-06 \n2.500E-01 1.510E+00 5.000E-06 9.046E-04 9.044E-04 1.664E-07 9.998E-01 0.721E+00 8.801E-01\n3.000E-01 1.510E+00 2.000E-06 9.368E-04 9.367E-04 6.511E-08 9.999E-01 0.706E+00 9.114E-01\n3.500E-01 1.510E+00 3.240E-07 9.615E-04 9.615E-04 1.049E-08 1.000E+00 0.699E+00 9.354E-01\n4.000E-01 1.500E+00 3.000E-08 9.847E-04 9.847E-04 5.869E-10 1.000E+00 0.698E+00 9.580E-01\n4.500E-01 1.500E+00 2.430E-08 1.000E-03 1.000E-03 7.752E-10 1.000E+00 0.696E+00 9.733E-01\n5.000E-01 1.500E+00 1.550E-08 1.016E-03 1.016E-03 2.423E-10 1.000E+00 0.693E+00 9.887E-01\n5.500E-01 1.500E+00 1.000E-08 1.028E-03 1.028E-03 2.451E-10 1.000E+00 0.691E+00 1.000E+00\n6.000E-01 1.490E+00 1.600E-08 1.030E-03 1.030E-03 3.682E-10 1.000E+00 0.697E+00 1.002E+00\n6.500E-01 1.490E+00 4.240E-08 1.034E-03 1.034E-03 6.776E-10 1.000E+00 0.696E+00 1.005E+00\n7.000E-01 1.490E+00 2.000E-07 1.031E-03 1.031E-03 3.073E-09 1.000E+00 0.696E+00 1.003E+00\n7.500E-01 1.490E+00 1.080E-06 1.024E-03 1.024E-03 1.331E-08 1.000E+00 0.697E+00 9.963E-01\n8.000E-01 1.480E+00 1.950E-06 1.012E-03 1.012E-03 2.184E-08 1.000E+00 0.702E+00 9.846E-01\n9.000E-01 1.480E+00 4.240E-05 9.886E-04 9.882E-04 4.255E-07 9.996E-01 0.702E+00 9.618E-01\n1.000E+00 1.470E+00 1.410E-04 9.489E-04 9.477E-04 1.231E-06 9.987E-01 0.708E+00 9.232E-01\n1.250E+00 1.470E+00 3.580E-04 8.546E-04 8.522E-04 2.436E-06 9.971E-01 0.704E+00 8.315E-01\n1.500E+00 1.460E+00 5.700E-04 7.431E-04 7.400E-04 3.080E-06 9.959E-01 0.705E+00 7.230E-01\n1.750E+00 1.450E+00 7.620E-04 6.363E-04 6.329E-04 3.400E-06 9.947E-01 0.703E+00 6.190E-01\n2.000E+00 1.450E+00 1.000E-03 5.531E-04 5.494E-04 3.779E-06 9.932E-01 0.695E+00 5.382E-01\n2.500E+00 1.430E+00 4.000E-03 3.971E-04 3.861E-04 1.102E-05 9.723E-01 0.688E+00 3.864E-01\n3.000E+00 1.610E+00 1.000E-02 4.717E-04 4.468E-04 2.494E-05 9.471E-01 0.598E+00 4.589E-01\n3.200E+00 1.490E+00 3.000E-03 3.260E-04 3.196E-04 6.417E-06 9.803E-01 0.635E+00 3.172E-01\n3.390E+00 1.480E+00 2.050E-03 2.887E-04 2.846E-04 4.046E-06 9.860E-01 0.631E+00 2.808E-01\n3.500E+00 1.480E+00 1.600E-03 2.730E-04 2.700E-04 3.031E-06 9.889E-01 0.627E+00 2.656E-01\n3.750E+00 1.470E+00 1.400E-03 2.347E-04 2.323E-04 2.399E-06 9.898E-01 0.622E+00 2.284E-01\n4.000E+00 1.480E+00 1.400E-03 2.155E-04 2.133E-04 2.216E-06 9.897E-01 0.609E+00 2.097E-01\n4.500E+00 1.490E+00 1.400E-03 1.779E-04 1.760E-04 1.899E-06 9.893E-01 0.589E+00 1.731E-01\n5.000E+00 1.470E+00 2.500E-03 1.352E-04 1.323E-04 2.887E-06 9.786E-01 0.577E+00 1.315E-01\n5.500E+00 1.420E+00 3.600E-03 9.193E-05 8.838E-05 3.553E-06 9.614E-01 0.572E+00 8.944E-02\n6.000E+00 1.410E+00 1.100E-02 7.717E-05 6.766E-05 9.510E-06 8.768E-01 0.556E+00 7.508E-02\n6.200E+00 1.600E+00 2.200E-02 1.361E-04 1.170E-04 1.915E-05 8.593E-01 0.514E+00 1.324E-01\n6.500E+00 1.460E+00 5.000E-03 7.433E-05 7.033E-05 3.999E-06 9.462E-01 0.530E+00 7.231E-02\n7.200E+00 1.420E+00 7.000E-03 5.102E-05 4.620E-05 4.822E-06 9.055E-01 0.514E+00 4.964E-02\n7.900E+00 1.400E+00 1.300E-02 4.064E-05 3.277E-05 7.867E-06 8.064E-01 0.494E+00 3.954E-02\n8.200E+00 1.420E+00 2.000E-02 4.355E-05 3.206E-05 1.148E-05 7.363E-01 0.482E+00 4.237E-02\n8.500E+00 1.480E+00 2.600E-02 5.118E-05 3.695E-05 1.422E-05 7.221E-01 0.468E+00 4.979E-02\n8.700E+00 1.600E+00 3.000E-02 6.757E-05 5.159E-05 1.598E-05 7.636E-01 0.453E+00 6.574E-02\n9.000E+00 1.650E+00 2.800E-02 6.899E-05 5.467E-05 1.432E-05 7.925E-01 0.442E+00 6.712E-02\n9.200E+00 1.610E+00 2.620E-02 5.939E-05 4.642E-05 1.297E-05 7.816E-01 0.441E+00 5.778E-02\n9.500E+00 1.580E+00 1.800E-02 4.831E-05 3.973E-05 8.587E-06 8.223E-01 0.437E+00 4.701E-02\n9.800E+00 1.560E+00 1.600E-02 4.179E-05 3.446E-05 7.327E-06 8.246E-01 0.432E+00 4.065E-02\n1.000E+01 1.540E+00 1.500E-02 3.728E-05 3.059E-05 6.693E-06 8.205E-01 0.429E+00 3.627E-02\n1.060E+01 1.500E+00 1.400E-02 2.841E-05 2.261E-05 5.804E-06 7.957E-01 0.418E+00 2.764E-02\n1.100E+01 1.480E+00 1.400E-02 2.440E-05 1.886E-05 5.547E-06 7.727E-01 0.410E+00 2.374E-02\n1.150E+01 1.480E+00 1.400E-02 2.185E-05 1.660E-05 5.241E-06 7.601E-01 0.399E+00 2.125E-02\n1.250E+01 1.420E+00 1.600E-02 1.550E-05 1.003E-05 5.465E-06 6.473E-01 0.378E+00 1.508E-02\n1.300E+01 1.410E+00 1.800E-02 1.436E-05 8.489E-06 5.875E-06 5.910E-01 0.367E+00 1.397E-02\n1.400E+01 1.410E+00 2.300E-02 1.360E-05 6.738E-06 6.863E-06 4.954E-01 0.347E+00 1.323E-02\n1.480E+01 1.430E+00 3.000E-02 1.449E-05 6.178E-06 8.311E-06 4.264E-01 0.333E+00 1.410E-02\n1.500E+01 1.450E+00 3.500E-02 1.589E-05 6.433E-06 9.461E-06 4.047E-01 0.330E+00 1.546E-02\n1.640E+01 1.560E+00 9.000E-02 2.766E-05 7.028E-06 2.063E-05 2.541E-01 0.305E+00 2.691E-02\n1.720E+01 1.740E+00 1.200E-01 3.350E-05 9.767E-06 2.373E-05 2.915E-01 0.301E+00 3.259E-02\n1.800E+01 1.780E+00 1.300E-01 3.299E-05 9.225E-06 2.376E-05 2.797E-01 0.293E+00 3.209E-02\n1.850E+01 1.770E+00 1.350E-01 3.219E-05 8.261E-06 2.393E-05 2.566E-01 0.286E+00 3.132E-02\n2.000E+01 1.760E+00 1.520E-01 3.078E-05 6.265E-06 2.451E-05 2.035E-01 0.267E+00 2.994E-02\n2.130E+01 1.760E+00 1.650E-01 2.970E-05 5.096E-06 2.461E-05 1.716E-01 0.252E+00 2.890E-02\n2.250E+01 1.760E+00 1.800E-01 2.934E-05 4.251E-06 2.509E-05 1.449E-01 0.240E+00 2.855E-02\n2.500E+01 1.760E+00 2.050E-01 2.819E-05 2.996E-06 2.519E-05 1.063E-01 0.216E+00 2.742E-02\n2.790E+01 1.770E+00 2.750E-01 3.155E-05 2.144E-06 2.941E-05 6.794E-02 0.188E+00 3.070E-02\n3.000E+01 1.770E+00 3.000E-01 3.120E-05 1.691E-06 2.951E-05 5.419E-02 0.173E+00 3.036E-02\n3.500E+01 1.760E+00 5.000E-01 4.219E-05 1.138E-06 4.105E-05 2.697E-02 0.131E+00 4.105E-02\n4.000E+01 1.740E+00 1.000E+00 6.742E-05 1.263E-06 6.616E-05 1.874E-02 0.844E-01 6.559E-02\n" }, { "path": "UTIL/inline_phot_preproc/refractive_indices/OPAC_water_clouds/sscm00", "content": "# sea salt (coa., 0%) \n#\n# size distribution: lognormal\n# ------------------\n#\n# minimum radius, [um]: 5.000E-03\n# maximum radius, [um]: 6.000E+01\n# sigma: 2.030E+00\n# Rmod (wet), [um]: 1.750E+00\n# Rmod (dry), [um]: 1.750E+00\n#\n# optical parameters:\n# -------------------\n#\n# wavelength ext.coef sca.coef abs.coef si.sc.alb asym.par ext.nor ref.real ref.imag\n# [um] [1/km] [1/km] [1/km]\n#\n# 2.500E-01 5.478E-02 5.470E-02 8.128E-05 9.985E-01 0.810E+00 9.667E-01 1.510E+00 -5.000E-06\n# 3.000E-01 5.520E-02 5.517E-02 2.653E-05 9.995E-01 0.810E+00 9.741E-01 1.510E+00 -2.000E-06\n# 3.500E-01 5.551E-02 5.551E-02 5.436E-06 9.999E-01 0.804E+00 9.797E-01 1.510E+00 -3.240E-07\n# 4.000E-01 5.559E-02 5.559E-02 3.347E-07 1.000E+00 0.805E+00 9.810E-01 1.500E+00 -3.000E-08\n# 4.500E-01 5.601E-02 5.601E-02 2.905E-07 1.000E+00 0.803E+00 9.885E-01 1.500E+00 -2.430E-08\n# 5.000E-01 5.627E-02 5.627E-02 9.056E-08 1.000E+00 0.799E+00 9.930E-01 1.500E+00 -1.550E-08\n# 5.500E-01 5.667E-02 5.667E-02 6.755E-08 1.000E+00 0.795E+00 1.000E+00 1.500E+00 -1.000E-08\n# 6.000E-01 5.663E-02 5.663E-02 1.283E-07 1.000E+00 0.797E+00 9.993E-01 1.490E+00 -1.600E-08\n# 6.500E-01 5.724E-02 5.724E-02 2.661E-07 1.000E+00 0.792E+00 1.010E+00 1.490E+00 -4.240E-08\n# 7.000E-01 5.750E-02 5.750E-02 1.296E-06 1.000E+00 0.788E+00 1.015E+00 1.490E+00 -2.000E-07\n# 7.500E-01 5.739E-02 5.738E-02 6.540E-06 9.999E-01 0.788E+00 1.013E+00 1.490E+00 -1.080E-06\n# 8.000E-01 5.749E-02 5.748E-02 1.039E-05 9.998E-01 0.789E+00 1.015E+00 1.480E+00 -1.950E-06\n# 9.000E-01 5.829E-02 5.808E-02 2.116E-04 9.964E-01 0.781E+00 1.029E+00 1.480E+00 -4.240E-05\n# 1.000E+00 5.889E-02 5.826E-02 6.228E-04 9.894E-01 0.781E+00 1.039E+00 1.470E+00 -1.410E-04\n# 1.250E+00 6.017E-02 5.891E-02 1.251E-03 9.792E-01 0.769E+00 1.062E+00 1.470E+00 -3.580E-04\n# 1.500E+00 6.092E-02 5.931E-02 1.613E-03 9.735E-01 0.766E+00 1.075E+00 1.460E+00 -5.700E-04\n# 1.750E+00 6.272E-02 6.077E-02 1.950E-03 9.689E-01 0.757E+00 1.107E+00 1.450E+00 -7.620E-04\n# 2.000E+00 6.363E-02 6.145E-02 2.173E-03 9.658E-01 0.753E+00 1.123E+00 1.450E+00 -1.000E-03\n# 2.500E+00 6.629E-02 6.014E-02 6.156E-03 9.071E-01 0.766E+00 1.170E+00 1.430E+00 -4.000E-03\n# 3.000E+00 6.660E-02 5.513E-02 1.147E-02 8.278E-01 0.716E+00 1.175E+00 1.610E+00 -1.000E-02\n# 3.200E+00 6.844E-02 6.436E-02 4.079E-03 9.404E-01 0.722E+00 1.208E+00 1.490E+00 -3.000E-03\n# 3.390E+00 6.927E-02 6.644E-02 2.827E-03 9.592E-01 0.719E+00 1.222E+00 1.480E+00 -2.050E-03\n# 3.500E+00 6.957E-02 6.741E-02 2.158E-03 9.690E-01 0.716E+00 1.228E+00 1.480E+00 -1.600E-03\n# 3.750E+00 7.030E-02 6.852E-02 1.781E-03 9.747E-01 0.718E+00 1.241E+00 1.470E+00 -1.400E-03\n# 4.000E+00 7.074E-02 6.905E-02 1.684E-03 9.762E-01 0.712E+00 1.248E+00 1.480E+00 -1.400E-03\n# 4.500E+00 7.172E-02 7.018E-02 1.533E-03 9.786E-01 0.704E+00 1.266E+00 1.490E+00 -1.400E-03\n# 5.000E+00 7.194E-02 6.954E-02 2.402E-03 9.666E-01 0.718E+00 1.270E+00 1.470E+00 -2.500E-03\n# 5.500E+00 7.044E-02 6.751E-02 2.927E-03 9.584E-01 0.751E+00 1.243E+00 1.420E+00 -3.600E-03\n# 6.000E+00 6.866E-02 6.160E-02 7.066E-03 8.971E-01 0.772E+00 1.212E+00 1.410E+00 -1.100E-02\n# 6.200E+00 7.293E-02 5.988E-02 1.305E-02 8.211E-01 0.693E+00 1.287E+00 1.600E+00 -2.200E-02\n# 6.500E+00 7.025E-02 6.675E-02 3.502E-03 9.502E-01 0.728E+00 1.240E+00 1.460E+00 -5.000E-03\n# 7.200E+00 6.644E-02 6.230E-02 4.141E-03 9.377E-01 0.755E+00 1.173E+00 1.420E+00 -7.000E-03\n# 7.900E+00 6.245E-02 5.610E-02 6.348E-03 8.983E-01 0.774E+00 1.102E+00 1.400E+00 -1.300E-02\n# 8.200E+00 6.266E-02 5.381E-02 8.847E-03 8.588E-01 0.770E+00 1.106E+00 1.420E+00 -2.000E-02\n# 8.500E+00 6.551E-02 5.454E-02 1.098E-02 8.324E-01 0.743E+00 1.156E+00 1.480E+00 -2.600E-02\n# 8.700E+00 7.044E-02 5.753E-02 1.291E-02 8.168E-01 0.687E+00 1.243E+00 1.600E+00 -3.000E-02\n# 9.000E+00 7.164E-02 5.929E-02 1.235E-02 8.276E-01 0.660E+00 1.264E+00 1.650E+00 -2.800E-02\n# 9.200E+00 7.006E-02 5.872E-02 1.134E-02 8.382E-01 0.675E+00 1.236E+00 1.610E+00 -2.620E-02\n# 9.500E+00 6.857E-02 6.040E-02 8.164E-03 8.809E-01 0.676E+00 1.210E+00 1.580E+00 -1.800E-02\n# 9.800E+00 6.699E-02 5.986E-02 7.126E-03 8.936E-01 0.682E+00 1.182E+00 1.560E+00 -1.600E-02\n# 1.000E+01 6.544E-02 5.890E-02 6.536E-03 9.001E-01 0.690E+00 1.155E+00 1.540E+00 -1.500E-02\n# 1.060E+01 6.121E-02 5.556E-02 5.650E-03 9.077E-01 0.707E+00 1.080E+00 1.500E+00 -1.400E-02\n# 1.100E+01 5.848E-02 5.313E-02 5.355E-03 9.084E-01 0.717E+00 1.032E+00 1.480E+00 -1.400E-02\n# 1.150E+01 5.689E-02 5.177E-02 5.128E-03 9.099E-01 0.714E+00 1.004E+00 1.480E+00 -1.400E-02\n# 1.250E+01 4.832E-02 4.332E-02 5.000E-03 8.965E-01 0.744E+00 8.527E-01 1.420E+00 -1.600E-02\n# 1.300E+01 4.574E-02 4.048E-02 5.268E-03 8.848E-01 0.748E+00 8.073E-01 1.410E+00 -1.800E-02\n# 1.400E+01 4.274E-02 3.672E-02 6.021E-03 8.591E-01 0.745E+00 7.543E-01 1.410E+00 -2.300E-02\n# 1.480E+01 4.242E-02 3.519E-02 7.225E-03 8.297E-01 0.735E+00 7.486E-01 1.430E+00 -3.000E-02\n# 1.500E+01 4.369E-02 3.548E-02 8.205E-03 8.122E-01 0.727E+00 7.710E-01 1.450E+00 -3.500E-02\n# 1.640E+01 4.864E-02 3.272E-02 1.592E-02 6.727E-01 0.696E+00 8.584E-01 1.560E+00 -9.000E-02\n# 1.720E+01 5.657E-02 3.671E-02 1.987E-02 6.488E-01 0.642E+00 9.984E-01 1.740E+00 -1.200E-01\n# 1.800E+01 5.663E-02 3.623E-02 2.041E-02 6.397E-01 0.628E+00 9.994E-01 1.780E+00 -1.300E-01\n# 1.850E+01 5.518E-02 3.488E-02 2.031E-02 6.320E-01 0.630E+00 9.739E-01 1.770E+00 -1.350E-01\n# 2.000E+01 5.182E-02 3.153E-02 2.029E-02 6.084E-01 0.627E+00 9.145E-01 1.760E+00 -1.520E-01\n# 2.130E+01 4.945E-02 2.927E-02 2.019E-02 5.918E-01 0.621E+00 8.727E-01 1.760E+00 -1.650E-01\n# 2.250E+01 4.744E-02 2.720E-02 2.024E-02 5.733E-01 0.615E+00 8.372E-01 1.760E+00 -1.800E-01\n# 2.500E+01 4.364E-02 2.369E-02 1.995E-02 5.429E-01 0.602E+00 7.701E-01 1.760E+00 -2.050E-01\n# 2.790E+01 4.099E-02 1.966E-02 2.133E-02 4.796E-01 0.581E+00 7.233E-01 1.770E+00 -2.750E-01\n# 3.000E+01 3.882E-02 1.772E-02 2.109E-02 4.566E-01 0.566E+00 6.850E-01 1.770E+00 -3.000E-01\n# 3.500E+01 3.788E-02 1.346E-02 2.442E-02 3.554E-01 0.510E+00 6.684E-01 1.760E+00 -5.000E-01\n# 4.000E+01 4.516E-02 1.370E-02 3.146E-02 3.034E-01 0.396E+00 7.970E-01 1.740E+00 -1.000E+00\n#\n# volume phase function [1/km]:\n# -----------------------------\n#\n# sca.ang. | wavelengths --->\n# ---------|------------------\n# | 2.500E-01 3.000E-01 3.500E-01 4.000E-01 4.500E-01 5.000E-01 5.500E-01 6.000E-01 6.500E-01 7.000E-01 7.500E-01 8.000E-01 9.000E-01 1.000E+00 1.250E+00 1.500E+00 1.750E+00 2.000E+00 2.500E+00 3.000E+00 3.200E+00 3.390E+00 3.500E+00 3.750E+00 4.000E+00 4.500E+00 5.000E+00 5.500E+00 6.000E+00 6.200E+00 6.500E+00 7.200E+00 7.900E+00 8.200E+00 8.500E+00 8.700E+00 9.000E+00 9.200E+00 9.500E+00 9.800E+00 1.000E+01 1.060E+01 1.100E+01 1.150E+01 1.250E+01 1.300E+01 1.400E+01 1.480E+01 1.500E+01 1.640E+01 1.720E+01 1.800E+01 1.850E+01 2.000E+01 2.130E+01 2.250E+01 2.500E+01 2.790E+01 3.000E+01 3.500E+01 4.000E+01\n#\n 0.000E+00 8.437E+01 5.907E+01 4.364E+01 3.314E+01 2.671E+01 2.169E+01 1.802E+01 1.523E+01 1.308E+01 1.133E+01 9.908E+00 8.702E+00 6.982E+00 5.709E+00 3.737E+00 2.621E+00 1.984E+00 1.538E+00 1.030E+00 7.222E-01 6.550E-01 5.985E-01 5.644E-01 5.026E-01 4.487E-01 3.682E-01 3.140E-01 2.752E-01 2.374E-01 2.069E-01 2.083E-01 1.809E-01 1.554E-01 1.428E-01 1.307E-01 1.209E-01 1.135E-01 1.114E-01 1.087E-01 1.049E-01 1.027E-01 9.533E-02 9.045E-02 8.433E-02 7.315E-02 6.768E-02 5.817E-02 5.177E-02 5.020E-02 3.942E-02 3.640E-02 3.354E-02 3.181E-02 2.724E-02 2.402E-02 2.140E-02 1.713E-02 1.304E-02 1.105E-02 7.231E-03 5.698E-03\n 1.000E-01 7.246E+01 5.296E+01 4.020E+01 3.108E+01 2.539E+01 2.081E+01 1.741E+01 1.479E+01 1.276E+01 1.109E+01 9.725E+00 8.559E+00 6.892E+00 5.649E+00 3.712E+00 2.609E+00 1.977E+00 1.534E+00 1.028E+00 7.213E-01 6.544E-01 5.980E-01 5.639E-01 5.023E-01 4.484E-01 3.680E-01 3.139E-01 2.752E-01 2.373E-01 2.068E-01 2.082E-01 1.809E-01 1.554E-01 1.428E-01 1.307E-01 1.209E-01 1.135E-01 1.114E-01 1.087E-01 1.049E-01 1.026E-01 9.532E-02 9.044E-02 8.433E-02 7.315E-02 6.768E-02 5.816E-02 5.177E-02 5.020E-02 3.942E-02 3.639E-02 3.354E-02 3.181E-02 2.724E-02 2.402E-02 2.140E-02 1.713E-02 1.304E-02 1.105E-02 7.230E-03 5.698E-03\n 2.000E-01 5.318E+01 4.156E+01 3.310E+01 2.651E+01 2.227E+01 1.865E+01 1.586E+01 1.366E+01 1.191E+01 1.045E+01 9.224E+00 8.165E+00 6.639E+00 5.479E+00 3.639E+00 2.573E+00 1.957E+00 1.522E+00 1.023E+00 7.188E-01 6.524E-01 5.964E-01 5.625E-01 5.012E-01 4.476E-01 3.675E-01 3.135E-01 2.749E-01 2.372E-01 2.067E-01 2.081E-01 1.808E-01 1.553E-01 1.427E-01 1.307E-01 1.208E-01 1.135E-01 1.113E-01 1.087E-01 1.048E-01 1.026E-01 9.530E-02 9.042E-02 8.431E-02 7.313E-02 6.767E-02 5.815E-02 5.176E-02 5.020E-02 3.941E-02 3.639E-02 3.353E-02 3.180E-02 2.724E-02 2.402E-02 2.140E-02 1.713E-02 1.304E-02 1.105E-02 7.230E-03 5.698E-03\n 3.000E-01 3.808E+01 3.159E+01 2.628E+01 2.178E+01 1.881E+01 1.610E+01 1.395E+01 1.220E+01 1.078E+01 9.564E+00 8.524E+00 7.603E+00 6.267E+00 5.224E+00 3.526E+00 2.516E+00 1.925E+00 1.503E+00 1.015E+00 7.147E-01 6.492E-01 5.938E-01 5.602E-01 4.995E-01 4.462E-01 3.666E-01 3.129E-01 2.745E-01 2.369E-01 2.064E-01 2.079E-01 1.807E-01 1.552E-01 1.426E-01 1.306E-01 1.207E-01 1.134E-01 1.113E-01 1.086E-01 1.048E-01 1.026E-01 9.526E-02 9.039E-02 8.428E-02 7.311E-02 6.765E-02 5.814E-02 5.175E-02 5.018E-02 3.940E-02 3.638E-02 3.353E-02 3.180E-02 2.723E-02 2.402E-02 2.140E-02 1.712E-02 1.304E-02 1.105E-02 7.230E-03 5.698E-03\n 4.000E-01 2.744E+01 2.396E+01 2.071E+01 1.772E+01 1.568E+01 1.371E+01 1.209E+01 1.073E+01 9.599E+00 8.612E+00 7.751E+00 6.969E+00 5.831E+00 4.916E+00 3.383E+00 2.442E+00 1.883E+00 1.477E+00 1.003E+00 7.091E-01 6.448E-01 5.902E-01 5.571E-01 4.970E-01 4.443E-01 3.654E-01 3.121E-01 2.739E-01 2.364E-01 2.060E-01 2.076E-01 1.804E-01 1.551E-01 1.425E-01 1.305E-01 1.206E-01 1.133E-01 1.112E-01 1.085E-01 1.047E-01 1.025E-01 9.521E-02 9.034E-02 8.424E-02 7.308E-02 6.762E-02 5.812E-02 5.174E-02 5.017E-02 3.939E-02 3.638E-02 3.352E-02 3.179E-02 2.723E-02 2.401E-02 2.140E-02 1.712E-02 1.304E-02 1.105E-02 7.229E-03 5.697E-03\n 5.000E-01 2.005E+01 1.829E+01 1.636E+01 1.442E+01 1.303E+01 1.162E+01 1.041E+01 9.368E+00 8.484E+00 7.692E+00 6.987E+00 6.332E+00 5.376E+00 4.584E+00 3.220E+00 2.354E+00 1.832E+00 1.446E+00 9.894E-01 7.020E-01 6.392E-01 5.857E-01 5.531E-01 4.939E-01 4.419E-01 3.638E-01 3.110E-01 2.732E-01 2.359E-01 2.056E-01 2.072E-01 1.802E-01 1.549E-01 1.423E-01 1.303E-01 1.205E-01 1.132E-01 1.111E-01 1.084E-01 1.046E-01 1.024E-01 9.514E-02 9.028E-02 8.419E-02 7.304E-02 6.759E-02 5.809E-02 5.171E-02 5.015E-02 3.938E-02 3.636E-02 3.351E-02 3.178E-02 2.722E-02 2.401E-02 2.139E-02 1.712E-02 1.303E-02 1.105E-02 7.228E-03 5.697E-03\n 6.000E-01 1.490E+01 1.411E+01 1.300E+01 1.179E+01 1.084E+01 9.838E+00 8.952E+00 8.157E+00 7.473E+00 6.844E+00 6.273E+00 5.727E+00 4.930E+00 4.251E+00 3.047E+00 2.258E+00 1.774E+00 1.410E+00 9.730E-01 6.936E-01 6.326E-01 5.803E-01 5.483E-01 4.902E-01 4.389E-01 3.620E-01 3.097E-01 2.723E-01 2.353E-01 2.050E-01 2.067E-01 1.798E-01 1.546E-01 1.421E-01 1.301E-01 1.203E-01 1.130E-01 1.109E-01 1.083E-01 1.045E-01 1.023E-01 9.506E-02 9.021E-02 8.413E-02 7.300E-02 6.755E-02 5.806E-02 5.169E-02 5.013E-02 3.936E-02 3.635E-02 3.350E-02 3.177E-02 2.721E-02 2.400E-02 2.139E-02 1.711E-02 1.303E-02 1.104E-02 7.227E-03 5.696E-03\n 7.000E-01 1.125E+01 1.100E+01 1.042E+01 9.692E+00 9.051E+00 8.346E+00 7.703E+00 7.099E+00 6.574E+00 6.078E+00 5.619E+00 5.168E+00 4.509E+00 3.929E+00 2.873E+00 2.157E+00 1.712E+00 1.370E+00 9.546E-01 6.840E-01 6.250E-01 5.741E-01 5.428E-01 4.860E-01 4.356E-01 3.598E-01 3.082E-01 2.712E-01 2.345E-01 2.043E-01 2.061E-01 1.794E-01 1.544E-01 1.419E-01 1.299E-01 1.201E-01 1.129E-01 1.108E-01 1.082E-01 1.044E-01 1.022E-01 9.496E-02 9.013E-02 8.406E-02 7.294E-02 6.750E-02 5.803E-02 5.166E-02 5.010E-02 3.934E-02 3.634E-02 3.349E-02 3.176E-02 2.720E-02 2.399E-02 2.138E-02 1.711E-02 1.303E-02 1.104E-02 7.226E-03 5.696E-03\n 8.000E-01 8.632E+00 8.662E+00 8.415E+00 8.014E+00 7.588E+00 7.101E+00 6.642E+00 6.185E+00 5.785E+00 5.396E+00 5.029E+00 4.659E+00 4.117E+00 3.625E+00 2.701E+00 2.055E+00 1.648E+00 1.328E+00 9.345E-01 6.734E-01 6.166E-01 5.672E-01 5.366E-01 4.812E-01 4.317E-01 3.573E-01 3.065E-01 2.700E-01 2.336E-01 2.036E-01 2.055E-01 1.790E-01 1.540E-01 1.416E-01 1.297E-01 1.199E-01 1.127E-01 1.106E-01 1.080E-01 1.043E-01 1.021E-01 9.485E-02 9.003E-02 8.398E-02 7.288E-02 6.744E-02 5.798E-02 5.162E-02 5.006E-02 3.932E-02 3.632E-02 3.347E-02 3.175E-02 2.719E-02 2.399E-02 2.137E-02 1.711E-02 1.303E-02 1.104E-02 7.225E-03 5.695E-03\n 9.000E-01 6.717E+00 6.895E+00 6.855E+00 6.664E+00 6.392E+00 6.064E+00 5.742E+00 5.398E+00 5.097E+00 4.795E+00 4.501E+00 4.200E+00 3.756E+00 3.341E+00 2.536E+00 1.953E+00 1.582E+00 1.284E+00 9.130E-01 6.619E-01 6.074E-01 5.596E-01 5.298E-01 4.759E-01 4.275E-01 3.546E-01 3.046E-01 2.687E-01 2.326E-01 2.027E-01 2.047E-01 1.785E-01 1.537E-01 1.413E-01 1.294E-01 1.197E-01 1.125E-01 1.104E-01 1.078E-01 1.041E-01 1.019E-01 9.473E-02 8.992E-02 8.388E-02 7.281E-02 6.738E-02 5.793E-02 5.159E-02 5.003E-02 3.930E-02 3.630E-02 3.345E-02 3.173E-02 2.718E-02 2.398E-02 2.136E-02 1.710E-02 1.302E-02 1.104E-02 7.223E-03 5.694E-03\n 1.000E+00 5.295E+00 5.544E+00 5.628E+00 5.569E+00 5.411E+00 5.199E+00 4.980E+00 4.722E+00 4.500E+00 4.266E+00 4.032E+00 3.788E+00 3.425E+00 3.077E+00 2.378E+00 1.855E+00 1.517E+00 1.240E+00 8.906E-01 6.497E-01 5.975E-01 5.515E-01 5.226E-01 4.702E-01 4.230E-01 3.516E-01 3.026E-01 2.672E-01 2.316E-01 2.018E-01 2.039E-01 1.779E-01 1.533E-01 1.409E-01 1.291E-01 1.194E-01 1.122E-01 1.102E-01 1.076E-01 1.039E-01 1.018E-01 9.459E-02 8.979E-02 8.378E-02 7.273E-02 6.731E-02 5.788E-02 5.154E-02 4.999E-02 3.927E-02 3.627E-02 3.343E-02 3.171E-02 2.717E-02 2.397E-02 2.136E-02 1.709E-02 1.302E-02 1.103E-02 7.222E-03 5.693E-03\n 1.100E+00 4.224E+00 4.503E+00 4.656E+00 4.677E+00 4.602E+00 4.474E+00 4.333E+00 4.142E+00 3.981E+00 3.802E+00 3.616E+00 3.420E+00 3.124E+00 2.833E+00 2.228E+00 1.759E+00 1.453E+00 1.196E+00 8.676E-01 6.369E-01 5.872E-01 5.429E-01 5.149E-01 4.641E-01 4.181E-01 3.484E-01 3.003E-01 2.656E-01 2.304E-01 2.008E-01 2.030E-01 1.773E-01 1.528E-01 1.405E-01 1.288E-01 1.191E-01 1.120E-01 1.099E-01 1.074E-01 1.037E-01 1.016E-01 9.444E-02 8.966E-02 8.366E-02 7.264E-02 6.723E-02 5.782E-02 5.149E-02 4.994E-02 3.924E-02 3.625E-02 3.341E-02 3.169E-02 2.715E-02 2.395E-02 2.135E-02 1.709E-02 1.301E-02 1.103E-02 7.220E-03 5.691E-03\n 1.200E+00 3.406E+00 3.692E+00 3.879E+00 3.946E+00 3.933E+00 3.866E+00 3.782E+00 3.643E+00 3.531E+00 3.396E+00 3.247E+00 3.091E+00 2.852E+00 2.610E+00 2.087E+00 1.667E+00 1.390E+00 1.152E+00 8.442E-01 6.236E-01 5.764E-01 5.339E-01 5.068E-01 4.577E-01 4.129E-01 3.449E-01 2.979E-01 2.639E-01 2.291E-01 1.997E-01 2.021E-01 1.766E-01 1.523E-01 1.401E-01 1.284E-01 1.188E-01 1.117E-01 1.097E-01 1.072E-01 1.035E-01 1.014E-01 9.427E-02 8.951E-02 8.353E-02 7.254E-02 6.715E-02 5.776E-02 5.144E-02 4.989E-02 3.920E-02 3.622E-02 3.339E-02 3.167E-02 2.714E-02 2.394E-02 2.133E-02 1.708E-02 1.301E-02 1.103E-02 7.218E-03 5.690E-03\n 1.300E+00 2.774E+00 3.055E+00 3.254E+00 3.345E+00 3.377E+00 3.354E+00 3.312E+00 3.213E+00 3.140E+00 3.039E+00 2.920E+00 2.797E+00 2.605E+00 2.405E+00 1.954E+00 1.579E+00 1.329E+00 1.109E+00 8.206E-01 6.100E-01 5.653E-01 5.245E-01 4.984E-01 4.510E-01 4.075E-01 3.413E-01 2.954E-01 2.621E-01 2.278E-01 1.985E-01 2.011E-01 1.759E-01 1.518E-01 1.397E-01 1.280E-01 1.184E-01 1.114E-01 1.094E-01 1.069E-01 1.033E-01 1.011E-01 9.409E-02 8.935E-02 8.340E-02 7.244E-02 6.706E-02 5.769E-02 5.138E-02 4.984E-02 3.917E-02 3.619E-02 3.336E-02 3.165E-02 2.712E-02 2.393E-02 2.132E-02 1.707E-02 1.300E-02 1.102E-02 7.216E-03 5.689E-03\n 1.400E+00 2.280E+00 2.549E+00 2.747E+00 2.851E+00 2.913E+00 2.920E+00 2.910E+00 2.843E+00 2.800E+00 2.726E+00 2.631E+00 2.535E+00 2.382E+00 2.218E+00 1.830E+00 1.496E+00 1.270E+00 1.066E+00 7.971E-01 5.962E-01 5.539E-01 5.150E-01 4.898E-01 4.441E-01 4.019E-01 3.375E-01 2.927E-01 2.601E-01 2.263E-01 1.972E-01 2.000E-01 1.752E-01 1.513E-01 1.392E-01 1.276E-01 1.180E-01 1.110E-01 1.091E-01 1.066E-01 1.030E-01 1.009E-01 9.389E-02 8.918E-02 8.325E-02 7.233E-02 6.696E-02 5.761E-02 5.132E-02 4.978E-02 3.913E-02 3.615E-02 3.333E-02 3.162E-02 2.710E-02 2.391E-02 2.131E-02 1.706E-02 1.300E-02 1.102E-02 7.213E-03 5.687E-03\n 1.500E+00 1.890E+00 2.144E+00 2.335E+00 2.444E+00 2.524E+00 2.552E+00 2.565E+00 2.522E+00 2.502E+00 2.451E+00 2.375E+00 2.301E+00 2.181E+00 2.047E+00 1.715E+00 1.416E+00 1.213E+00 1.025E+00 7.738E-01 5.823E-01 5.424E-01 5.052E-01 4.810E-01 4.370E-01 3.961E-01 3.336E-01 2.899E-01 2.581E-01 2.248E-01 1.959E-01 1.988E-01 1.743E-01 1.507E-01 1.387E-01 1.271E-01 1.176E-01 1.107E-01 1.087E-01 1.063E-01 1.027E-01 1.007E-01 9.369E-02 8.900E-02 8.309E-02 7.221E-02 6.686E-02 5.753E-02 5.126E-02 4.972E-02 3.908E-02 3.612E-02 3.330E-02 3.159E-02 2.708E-02 2.389E-02 2.130E-02 1.705E-02 1.299E-02 1.101E-02 7.211E-03 5.686E-03\n 1.600E+00 1.579E+00 1.817E+00 1.996E+00 2.107E+00 2.197E+00 2.238E+00 2.268E+00 2.244E+00 2.242E+00 2.208E+00 2.148E+00 2.092E+00 1.999E+00 1.891E+00 1.607E+00 1.341E+00 1.158E+00 9.852E-01 7.508E-01 5.684E-01 5.309E-01 4.954E-01 4.720E-01 4.297E-01 3.901E-01 3.296E-01 2.869E-01 2.560E-01 2.232E-01 1.945E-01 1.976E-01 1.735E-01 1.501E-01 1.381E-01 1.267E-01 1.172E-01 1.103E-01 1.084E-01 1.060E-01 1.025E-01 1.004E-01 9.347E-02 8.880E-02 8.293E-02 7.208E-02 6.675E-02 5.745E-02 5.119E-02 4.965E-02 3.904E-02 3.608E-02 3.327E-02 3.157E-02 2.706E-02 2.388E-02 2.128E-02 1.704E-02 1.299E-02 1.101E-02 7.208E-03 5.684E-03\n 1.700E+00 1.328E+00 1.551E+00 1.715E+00 1.828E+00 1.920E+00 1.970E+00 2.012E+00 2.002E+00 2.014E+00 1.993E+00 1.947E+00 1.905E+00 1.834E+00 1.748E+00 1.506E+00 1.270E+00 1.106E+00 9.466E-01 7.282E-01 5.546E-01 5.193E-01 4.854E-01 4.630E-01 4.224E-01 3.841E-01 3.254E-01 2.839E-01 2.538E-01 2.216E-01 1.931E-01 1.964E-01 1.726E-01 1.494E-01 1.376E-01 1.262E-01 1.168E-01 1.099E-01 1.080E-01 1.057E-01 1.022E-01 1.001E-01 9.324E-02 8.860E-02 8.275E-02 7.194E-02 6.663E-02 5.735E-02 5.111E-02 4.958E-02 3.899E-02 3.604E-02 3.324E-02 3.153E-02 2.703E-02 2.386E-02 2.127E-02 1.703E-02 1.298E-02 1.100E-02 7.205E-03 5.682E-03\n 1.800E+00 1.125E+00 1.333E+00 1.482E+00 1.595E+00 1.685E+00 1.741E+00 1.790E+00 1.791E+00 1.813E+00 1.803E+00 1.767E+00 1.737E+00 1.685E+00 1.617E+00 1.412E+00 1.203E+00 1.056E+00 9.093E-01 7.060E-01 5.408E-01 5.077E-01 4.755E-01 4.540E-01 4.150E-01 3.780E-01 3.211E-01 2.809E-01 2.515E-01 2.199E-01 1.916E-01 1.950E-01 1.717E-01 1.487E-01 1.370E-01 1.257E-01 1.163E-01 1.095E-01 1.076E-01 1.053E-01 1.019E-01 9.982E-02 9.299E-02 8.838E-02 8.257E-02 7.180E-02 6.650E-02 5.726E-02 5.103E-02 4.951E-02 3.894E-02 3.600E-02 3.320E-02 3.150E-02 2.701E-02 2.384E-02 2.125E-02 1.702E-02 1.297E-02 1.100E-02 7.202E-03 5.680E-03\n 1.900E+00 9.592E-01 1.151E+00 1.287E+00 1.398E+00 1.484E+00 1.544E+00 1.597E+00 1.606E+00 1.635E+00 1.634E+00 1.607E+00 1.587E+00 1.550E+00 1.498E+00 1.325E+00 1.139E+00 1.008E+00 8.733E-01 6.844E-01 5.273E-01 4.963E-01 4.656E-01 4.450E-01 4.076E-01 3.718E-01 3.168E-01 2.777E-01 2.492E-01 2.181E-01 1.900E-01 1.937E-01 1.707E-01 1.480E-01 1.364E-01 1.251E-01 1.158E-01 1.090E-01 1.072E-01 1.050E-01 1.015E-01 9.951E-02 9.274E-02 8.816E-02 8.237E-02 7.165E-02 6.637E-02 5.716E-02 5.095E-02 4.943E-02 3.888E-02 3.595E-02 3.316E-02 3.147E-02 2.698E-02 2.382E-02 2.123E-02 1.701E-02 1.296E-02 1.099E-02 7.199E-03 5.678E-03\n 2.000E+00 8.247E-01 9.992E-01 1.123E+00 1.231E+00 1.312E+00 1.374E+00 1.429E+00 1.444E+00 1.478E+00 1.484E+00 1.464E+00 1.452E+00 1.428E+00 1.389E+00 1.244E+00 1.079E+00 9.623E-01 8.387E-01 6.632E-01 5.139E-01 4.849E-01 4.557E-01 4.360E-01 4.001E-01 3.656E-01 3.125E-01 2.745E-01 2.468E-01 2.163E-01 1.884E-01 1.923E-01 1.697E-01 1.473E-01 1.357E-01 1.246E-01 1.153E-01 1.086E-01 1.068E-01 1.046E-01 1.012E-01 9.919E-02 9.247E-02 8.792E-02 8.217E-02 7.150E-02 6.623E-02 5.705E-02 5.087E-02 4.935E-02 3.883E-02 3.591E-02 3.312E-02 3.143E-02 2.695E-02 2.379E-02 2.122E-02 1.700E-02 1.296E-02 1.098E-02 7.195E-03 5.676E-03\n 3.000E+00 2.547E-01 3.068E-01 3.581E-01 4.109E-01 4.559E-01 5.008E-01 5.382E-01 5.674E-01 5.994E-01 6.225E-01 6.346E-01 6.501E-01 6.739E-01 6.875E-01 6.836E-01 6.443E-01 6.124E-01 5.624E-01 4.826E-01 3.937E-01 3.814E-01 3.643E-01 3.520E-01 3.293E-01 3.055E-01 2.686E-01 2.411E-01 2.214E-01 1.966E-01 1.710E-01 1.768E-01 1.583E-01 1.388E-01 1.282E-01 1.180E-01 1.093E-01 1.032E-01 1.018E-01 1.001E-01 9.706E-02 9.533E-02 8.925E-02 8.505E-02 7.968E-02 6.957E-02 6.454E-02 5.574E-02 4.979E-02 4.833E-02 3.812E-02 3.532E-02 3.262E-02 3.098E-02 2.661E-02 2.352E-02 2.099E-02 1.684E-02 1.285E-02 1.090E-02 7.152E-03 5.648E-03\n 4.000E+00 1.152E-01 1.335E-01 1.588E-01 1.843E-01 2.046E-01 2.287E-01 2.508E-01 2.683E-01 2.890E-01 3.059E-01 3.185E-01 3.327E-01 3.564E-01 3.748E-01 4.005E-01 4.033E-01 4.021E-01 3.859E-01 3.537E-01 3.010E-01 2.991E-01 2.896E-01 2.827E-01 2.692E-01 2.533E-01 2.285E-01 2.093E-01 1.961E-01 1.764E-01 1.529E-01 1.604E-01 1.458E-01 1.291E-01 1.196E-01 1.103E-01 1.023E-01 9.694E-02 9.586E-02 9.463E-02 9.210E-02 9.063E-02 8.527E-02 8.147E-02 7.656E-02 6.712E-02 6.237E-02 5.403E-02 4.838E-02 4.700E-02 3.719E-02 3.454E-02 3.196E-02 3.037E-02 2.614E-02 2.314E-02 2.068E-02 1.663E-02 1.271E-02 1.080E-02 7.092E-03 5.609E-03\n 5.000E+00 6.431E-02 7.811E-02 8.835E-02 1.002E-01 1.128E-01 1.243E-01 1.362E-01 1.479E-01 1.595E-01 1.705E-01 1.804E-01 1.906E-01 2.084E-01 2.229E-01 2.503E-01 2.651E-01 2.738E-01 2.728E-01 2.635E-01 2.318E-01 2.361E-01 2.314E-01 2.280E-01 2.206E-01 2.102E-01 1.940E-01 1.811E-01 1.730E-01 1.574E-01 1.359E-01 1.447E-01 1.333E-01 1.192E-01 1.107E-01 1.024E-01 9.499E-02 9.031E-02 8.958E-02 8.882E-02 8.673E-02 8.554E-02 8.088E-02 7.749E-02 7.305E-02 6.430E-02 5.985E-02 5.203E-02 4.672E-02 4.542E-02 3.608E-02 3.361E-02 3.116E-02 2.964E-02 2.558E-02 2.268E-02 2.030E-02 1.636E-02 1.253E-02 1.066E-02 7.016E-03 5.560E-03\n 6.000E+00 4.474E-02 5.155E-02 5.657E-02 6.344E-02 7.105E-02 7.773E-02 8.455E-02 9.238E-02 9.935E-02 1.062E-01 1.129E-01 1.205E-01 1.320E-01 1.435E-01 1.661E-01 1.823E-01 1.933E-01 1.987E-01 2.001E-01 1.806E-01 1.884E-01 1.866E-01 1.854E-01 1.820E-01 1.754E-01 1.653E-01 1.568E-01 1.525E-01 1.402E-01 1.206E-01 1.302E-01 1.216E-01 1.097E-01 1.021E-01 9.464E-02 8.784E-02 8.377E-02 8.334E-02 8.300E-02 8.131E-02 8.035E-02 7.635E-02 7.334E-02 6.935E-02 6.128E-02 5.714E-02 4.984E-02 4.489E-02 4.368E-02 3.483E-02 3.256E-02 3.025E-02 2.880E-02 2.492E-02 2.215E-02 1.985E-02 1.605E-02 1.232E-02 1.050E-02 6.926E-03 5.501E-03\n 8.000E+00 2.845E-02 3.056E-02 3.421E-02 3.710E-02 3.906E-02 4.225E-02 4.536E-02 4.788E-02 5.167E-02 5.460E-02 5.672E-02 5.977E-02 6.650E-02 7.302E-02 8.604E-02 9.748E-02 1.070E-01 1.143E-01 1.226E-01 1.139E-01 1.245E-01 1.258E-01 1.265E-01 1.272E-01 1.251E-01 1.218E-01 1.191E-01 1.193E-01 1.115E-01 9.491E-02 1.056E-01 1.008E-01 9.230E-02 8.625E-02 8.034E-02 7.467E-02 7.162E-02 7.166E-02 7.198E-02 7.095E-02 7.038E-02 6.747E-02 6.512E-02 6.193E-02 5.506E-02 5.149E-02 4.522E-02 4.096E-02 3.994E-02 3.212E-02 3.025E-02 2.823E-02 2.694E-02 2.345E-02 2.094E-02 1.883E-02 1.532E-02 1.182E-02 1.011E-02 6.707E-03 5.357E-03\n 1.000E+01 2.346E-02 2.411E-02 2.487E-02 2.620E-02 2.768E-02 2.873E-02 3.038E-02 3.190E-02 3.357E-02 3.499E-02 3.651E-02 3.885E-02 4.154E-02 4.496E-02 5.225E-02 6.027E-02 6.699E-02 7.286E-02 8.124E-02 7.568E-02 8.654E-02 8.888E-02 9.024E-02 9.242E-02 9.234E-02 9.207E-02 9.233E-02 9.475E-02 8.956E-02 7.538E-02 8.627E-02 8.381E-02 7.756E-02 7.271E-02 6.805E-02 6.335E-02 6.110E-02 6.144E-02 6.221E-02 6.167E-02 6.136E-02 5.928E-02 5.743E-02 5.491E-02 4.902E-02 4.596E-02 4.060E-02 3.699E-02 3.615E-02 2.932E-02 2.784E-02 2.610E-02 2.496E-02 2.185E-02 1.960E-02 1.769E-02 1.449E-02 1.125E-02 9.650E-03 6.447E-03 5.183E-03\n 1.200E+01 1.920E-02 2.014E-02 2.098E-02 2.223E-02 2.278E-02 2.352E-02 2.410E-02 2.533E-02 2.561E-02 2.640E-02 2.781E-02 2.913E-02 3.033E-02 3.249E-02 3.675E-02 4.155E-02 4.655E-02 5.066E-02 5.762E-02 5.285E-02 6.299E-02 6.579E-02 6.706E-02 6.964E-02 7.050E-02 7.145E-02 7.321E-02 7.643E-02 7.271E-02 6.060E-02 7.120E-02 7.004E-02 6.528E-02 6.138E-02 5.773E-02 5.387E-02 5.222E-02 5.275E-02 5.380E-02 5.358E-02 5.345E-02 5.195E-02 5.049E-02 4.849E-02 4.339E-02 4.075E-02 3.620E-02 3.317E-02 3.250E-02 2.660E-02 2.548E-02 2.399E-02 2.299E-02 2.024E-02 1.823E-02 1.651E-02 1.361E-02 1.063E-02 9.153E-03 6.157E-03 4.987E-03\n 1.400E+01 1.800E-02 1.789E-02 1.791E-02 1.873E-02 1.945E-02 1.951E-02 2.046E-02 2.119E-02 2.195E-02 2.241E-02 2.257E-02 2.332E-02 2.402E-02 2.628E-02 2.877E-02 3.107E-02 3.518E-02 3.766E-02 4.321E-02 3.861E-02 4.781E-02 5.073E-02 5.172E-02 5.425E-02 5.542E-02 5.687E-02 5.923E-02 6.252E-02 5.968E-02 4.938E-02 5.933E-02 5.886E-02 5.511E-02 5.194E-02 4.913E-02 4.601E-02 4.481E-02 4.543E-02 4.664E-02 4.663E-02 4.661E-02 4.551E-02 4.432E-02 4.274E-02 3.826E-02 3.598E-02 3.211E-02 2.960E-02 2.907E-02 2.403E-02 2.323E-02 2.197E-02 2.109E-02 1.865E-02 1.687E-02 1.534E-02 1.272E-02 9.984E-03 8.635E-03 5.849E-03 4.774E-03\n 1.600E+01 1.559E-02 1.654E-02 1.687E-02 1.741E-02 1.792E-02 1.772E-02 1.806E-02 1.868E-02 1.894E-02 1.925E-02 1.962E-02 1.976E-02 2.037E-02 2.182E-02 2.342E-02 2.500E-02 2.811E-02 2.977E-02 3.378E-02 2.939E-02 3.771E-02 4.040E-02 4.127E-02 4.358E-02 4.462E-02 4.635E-02 4.872E-02 5.176E-02 4.946E-02 4.077E-02 4.986E-02 4.973E-02 4.667E-02 4.410E-02 4.197E-02 3.949E-02 3.864E-02 3.929E-02 4.056E-02 4.068E-02 4.072E-02 3.988E-02 3.889E-02 3.763E-02 3.364E-02 3.167E-02 2.838E-02 2.631E-02 2.591E-02 2.163E-02 2.113E-02 2.006E-02 1.929E-02 1.714E-02 1.557E-02 1.419E-02 1.184E-02 9.342E-03 8.111E-03 5.531E-03 4.551E-03\n 1.800E+01 1.531E-02 1.475E-02 1.474E-02 1.525E-02 1.574E-02 1.590E-02 1.635E-02 1.636E-02 1.719E-02 1.739E-02 1.703E-02 1.766E-02 1.790E-02 1.855E-02 1.959E-02 2.109E-02 2.306E-02 2.470E-02 2.724E-02 2.319E-02 3.070E-02 3.303E-02 3.386E-02 3.590E-02 3.672E-02 3.849E-02 4.065E-02 4.330E-02 4.134E-02 3.408E-02 4.223E-02 4.221E-02 3.965E-02 3.757E-02 3.599E-02 3.407E-02 3.349E-02 3.413E-02 3.540E-02 3.559E-02 3.566E-02 3.498E-02 3.413E-02 3.313E-02 2.953E-02 2.781E-02 2.503E-02 2.333E-02 2.304E-02 1.944E-02 1.918E-02 1.829E-02 1.761E-02 1.572E-02 1.432E-02 1.310E-02 1.099E-02 8.714E-03 7.593E-03 5.212E-03 4.324E-03\n 2.000E+01 1.288E-02 1.421E-02 1.393E-02 1.450E-02 1.446E-02 1.471E-02 1.513E-02 1.514E-02 1.541E-02 1.556E-02 1.556E-02 1.575E-02 1.596E-02 1.623E-02 1.695E-02 1.816E-02 1.967E-02 2.097E-02 2.263E-02 1.887E-02 2.561E-02 2.763E-02 2.837E-02 3.012E-02 3.080E-02 3.247E-02 3.434E-02 3.656E-02 3.482E-02 2.881E-02 3.603E-02 3.601E-02 3.379E-02 3.210E-02 3.098E-02 2.954E-02 2.917E-02 2.977E-02 3.100E-02 3.123E-02 3.130E-02 3.071E-02 2.997E-02 2.917E-02 2.590E-02 2.439E-02 2.203E-02 2.065E-02 2.045E-02 1.744E-02 1.740E-02 1.665E-02 1.605E-02 1.438E-02 1.316E-02 1.206E-02 1.018E-02 8.107E-03 7.089E-03 4.897E-03 4.096E-03\n 2.200E+01 1.295E-02 1.236E-02 1.295E-02 1.339E-02 1.287E-02 1.367E-02 1.311E-02 1.354E-02 1.380E-02 1.391E-02 1.382E-02 1.430E-02 1.434E-02 1.444E-02 1.504E-02 1.592E-02 1.725E-02 1.809E-02 1.933E-02 1.575E-02 2.179E-02 2.350E-02 2.418E-02 2.566E-02 2.626E-02 2.774E-02 2.933E-02 3.112E-02 2.952E-02 2.461E-02 3.095E-02 3.085E-02 2.888E-02 2.751E-02 2.676E-02 2.574E-02 2.554E-02 2.608E-02 2.725E-02 2.748E-02 2.753E-02 2.700E-02 2.634E-02 2.570E-02 2.269E-02 2.137E-02 1.936E-02 1.825E-02 1.813E-02 1.563E-02 1.577E-02 1.516E-02 1.462E-02 1.315E-02 1.206E-02 1.109E-02 9.407E-03 7.527E-03 6.604E-03 4.591E-03 3.871E-03\n 2.400E+01 1.182E-02 1.212E-02 1.167E-02 1.205E-02 1.248E-02 1.231E-02 1.224E-02 1.256E-02 1.242E-02 1.252E-02 1.271E-02 1.280E-02 1.332E-02 1.323E-02 1.352E-02 1.422E-02 1.513E-02 1.597E-02 1.676E-02 1.344E-02 1.882E-02 2.024E-02 2.091E-02 2.216E-02 2.269E-02 2.396E-02 2.525E-02 2.665E-02 2.518E-02 2.122E-02 2.673E-02 2.652E-02 2.474E-02 2.364E-02 2.320E-02 2.254E-02 2.246E-02 2.294E-02 2.402E-02 2.424E-02 2.427E-02 2.378E-02 2.317E-02 2.264E-02 1.988E-02 1.872E-02 1.701E-02 1.611E-02 1.606E-02 1.401E-02 1.429E-02 1.379E-02 1.332E-02 1.201E-02 1.105E-02 1.018E-02 8.680E-03 6.976E-03 6.142E-03 4.295E-03 3.652E-03\n 2.600E+01 1.067E-02 1.127E-02 1.125E-02 1.122E-02 1.114E-02 1.124E-02 1.122E-02 1.156E-02 1.153E-02 1.158E-02 1.175E-02 1.190E-02 1.200E-02 1.207E-02 1.218E-02 1.281E-02 1.339E-02 1.421E-02 1.466E-02 1.168E-02 1.646E-02 1.766E-02 1.827E-02 1.933E-02 1.977E-02 2.088E-02 2.191E-02 2.293E-02 2.157E-02 1.844E-02 2.319E-02 2.288E-02 2.126E-02 2.037E-02 2.017E-02 1.981E-02 1.984E-02 2.025E-02 2.124E-02 2.143E-02 2.145E-02 2.096E-02 2.040E-02 1.997E-02 1.741E-02 1.639E-02 1.493E-02 1.422E-02 1.422E-02 1.255E-02 1.296E-02 1.255E-02 1.212E-02 1.097E-02 1.012E-02 9.344E-03 8.000E-03 6.457E-03 5.703E-03 4.012E-03 3.440E-03\n 2.800E+01 1.026E-02 9.739E-03 9.799E-03 9.940E-03 1.028E-02 1.017E-02 1.031E-02 1.038E-02 1.044E-02 1.050E-02 1.049E-02 1.080E-02 1.104E-02 1.080E-02 1.091E-02 1.167E-02 1.190E-02 1.271E-02 1.288E-02 1.029E-02 1.454E-02 1.556E-02 1.612E-02 1.701E-02 1.733E-02 1.836E-02 1.913E-02 1.983E-02 1.856E-02 1.614E-02 2.019E-02 1.979E-02 1.831E-02 1.760E-02 1.759E-02 1.748E-02 1.759E-02 1.794E-02 1.883E-02 1.900E-02 1.899E-02 1.850E-02 1.798E-02 1.763E-02 1.526E-02 1.436E-02 1.311E-02 1.255E-02 1.259E-02 1.124E-02 1.175E-02 1.142E-02 1.104E-02 1.001E-02 9.259E-03 8.568E-03 7.367E-03 5.970E-03 5.289E-03 3.743E-03 3.236E-03\n 3.000E+01 9.022E-03 9.458E-03 9.378E-03 9.373E-03 9.595E-03 9.377E-03 9.660E-03 9.737E-03 9.548E-03 9.572E-03 9.789E-03 9.922E-03 1.017E-02 9.769E-03 9.824E-03 1.053E-02 1.065E-02 1.148E-02 1.136E-02 9.176E-03 1.293E-02 1.381E-02 1.432E-02 1.505E-02 1.529E-02 1.621E-02 1.680E-02 1.721E-02 1.603E-02 1.422E-02 1.765E-02 1.716E-02 1.581E-02 1.524E-02 1.538E-02 1.548E-02 1.566E-02 1.594E-02 1.674E-02 1.688E-02 1.684E-02 1.636E-02 1.586E-02 1.557E-02 1.338E-02 1.258E-02 1.152E-02 1.108E-02 1.114E-02 1.007E-02 1.066E-02 1.039E-02 1.005E-02 9.136E-03 8.471E-03 7.854E-03 6.780E-03 5.515E-03 4.900E-03 3.488E-03 3.042E-03\n 3.200E+01 8.218E-03 8.544E-03 8.995E-03 8.653E-03 8.360E-03 8.690E-03 8.616E-03 8.758E-03 8.829E-03 8.838E-03 8.890E-03 9.072E-03 9.173E-03 9.026E-03 9.016E-03 9.523E-03 9.670E-03 1.025E-02 1.013E-02 8.253E-03 1.155E-02 1.232E-02 1.273E-02 1.334E-02 1.359E-02 1.436E-02 1.483E-02 1.501E-02 1.389E-02 1.260E-02 1.548E-02 1.493E-02 1.368E-02 1.323E-02 1.348E-02 1.375E-02 1.398E-02 1.420E-02 1.492E-02 1.503E-02 1.497E-02 1.448E-02 1.402E-02 1.377E-02 1.174E-02 1.103E-02 1.012E-02 9.779E-03 9.869E-03 9.027E-03 9.676E-03 9.465E-03 9.160E-03 8.340E-03 7.749E-03 7.198E-03 6.236E-03 5.091E-03 4.536E-03 3.247E-03 2.856E-03\n 3.400E+01 7.931E-03 7.519E-03 7.715E-03 7.678E-03 7.853E-03 7.747E-03 7.877E-03 7.948E-03 7.977E-03 8.026E-03 8.106E-03 8.235E-03 8.250E-03 8.157E-03 8.260E-03 8.637E-03 8.832E-03 9.188E-03 9.106E-03 7.471E-03 1.036E-02 1.102E-02 1.135E-02 1.186E-02 1.215E-02 1.277E-02 1.313E-02 1.314E-02 1.208E-02 1.122E-02 1.363E-02 1.303E-02 1.187E-02 1.152E-02 1.184E-02 1.225E-02 1.252E-02 1.269E-02 1.333E-02 1.341E-02 1.333E-02 1.284E-02 1.240E-02 1.220E-02 1.031E-02 9.683E-03 8.901E-03 8.640E-03 8.746E-03 8.096E-03 8.789E-03 8.625E-03 8.350E-03 7.616E-03 7.090E-03 6.596E-03 5.735E-03 4.698E-03 4.197E-03 3.021E-03 2.681E-03\n 3.600E+01 7.330E-03 7.136E-03 6.937E-03 7.166E-03 7.363E-03 7.232E-03 7.343E-03 7.487E-03 7.357E-03 7.379E-03 7.553E-03 7.584E-03 7.483E-03 7.564E-03 7.587E-03 7.782E-03 7.992E-03 8.290E-03 8.190E-03 6.798E-03 9.339E-03 9.863E-03 1.018E-02 1.060E-02 1.089E-02 1.140E-02 1.164E-02 1.152E-02 1.054E-02 1.003E-02 1.203E-02 1.139E-02 1.033E-02 1.005E-02 1.043E-02 1.095E-02 1.125E-02 1.137E-02 1.193E-02 1.198E-02 1.189E-02 1.140E-02 1.098E-02 1.081E-02 9.071E-03 8.509E-03 7.836E-03 7.640E-03 7.756E-03 7.266E-03 7.990E-03 7.866E-03 7.616E-03 6.957E-03 6.488E-03 6.045E-03 5.273E-03 4.335E-03 3.882E-03 2.810E-03 2.515E-03\n 3.800E+01 6.197E-03 6.733E-03 6.601E-03 6.666E-03 6.530E-03 6.689E-03 6.652E-03 6.761E-03 6.679E-03 6.682E-03 6.805E-03 6.943E-03 6.863E-03 6.778E-03 6.818E-03 7.128E-03 7.174E-03 7.495E-03 7.348E-03 6.213E-03 8.444E-03 8.853E-03 9.172E-03 9.516E-03 9.761E-03 1.022E-02 1.035E-02 1.012E-02 9.226E-03 9.004E-03 1.064E-02 9.985E-03 9.005E-03 8.790E-03 9.213E-03 9.809E-03 1.013E-02 1.021E-02 1.070E-02 1.073E-02 1.063E-02 1.014E-02 9.745E-03 9.598E-03 7.988E-03 7.488E-03 6.907E-03 6.763E-03 6.885E-03 6.526E-03 7.269E-03 7.179E-03 6.952E-03 6.358E-03 5.939E-03 5.541E-03 4.849E-03 3.998E-03 3.590E-03 2.612E-03 2.358E-03\n 4.000E+01 5.796E-03 5.930E-03 6.196E-03 5.952E-03 5.901E-03 6.052E-03 5.944E-03 6.050E-03 6.121E-03 6.139E-03 6.179E-03 6.099E-03 6.158E-03 6.220E-03 6.266E-03 6.405E-03 6.491E-03 6.778E-03 6.579E-03 5.702E-03 7.634E-03 7.991E-03 8.273E-03 8.551E-03 8.771E-03 9.185E-03 9.232E-03 8.922E-03 8.093E-03 8.110E-03 9.430E-03 8.772E-03 7.873E-03 7.707E-03 8.154E-03 8.810E-03 9.148E-03 9.190E-03 9.618E-03 9.625E-03 9.512E-03 9.035E-03 8.659E-03 8.534E-03 7.046E-03 6.598E-03 6.097E-03 5.993E-03 6.119E-03 5.866E-03 6.620E-03 6.557E-03 6.350E-03 5.814E-03 5.439E-03 5.081E-03 4.459E-03 3.688E-03 3.319E-03 2.427E-03 2.212E-03\n 4.200E+01 5.401E-03 5.241E-03 5.584E-03 5.185E-03 5.402E-03 5.353E-03 5.350E-03 5.621E-03 5.387E-03 5.425E-03 5.699E-03 5.622E-03 5.646E-03 5.654E-03 5.628E-03 5.820E-03 5.859E-03 6.141E-03 5.908E-03 5.241E-03 6.922E-03 7.228E-03 7.471E-03 7.699E-03 7.899E-03 8.270E-03 8.260E-03 7.888E-03 7.119E-03 7.328E-03 8.377E-03 7.725E-03 6.900E-03 6.774E-03 7.233E-03 7.931E-03 8.280E-03 8.289E-03 8.661E-03 8.651E-03 8.529E-03 8.061E-03 7.706E-03 7.598E-03 6.224E-03 5.824E-03 5.389E-03 5.318E-03 5.444E-03 5.278E-03 6.034E-03 5.995E-03 5.805E-03 5.320E-03 4.983E-03 4.661E-03 4.101E-03 3.402E-03 3.068E-03 2.256E-03 2.074E-03\n 4.400E+01 5.178E-03 4.892E-03 4.812E-03 4.859E-03 5.158E-03 4.904E-03 4.993E-03 5.137E-03 5.034E-03 5.061E-03 5.257E-03 5.092E-03 5.061E-03 5.083E-03 5.138E-03 5.285E-03 5.356E-03 5.540E-03 5.337E-03 4.828E-03 6.286E-03 6.551E-03 6.745E-03 6.936E-03 7.125E-03 7.449E-03 7.411E-03 6.992E-03 6.281E-03 6.639E-03 7.463E-03 6.822E-03 6.062E-03 5.969E-03 6.431E-03 7.156E-03 7.510E-03 7.492E-03 7.814E-03 7.789E-03 7.661E-03 7.205E-03 6.870E-03 6.776E-03 5.508E-03 5.149E-03 4.771E-03 4.725E-03 4.850E-03 4.755E-03 5.506E-03 5.486E-03 5.312E-03 4.871E-03 4.569E-03 4.278E-03 3.774E-03 3.139E-03 2.837E-03 2.096E-03 1.945E-03\n 4.600E+01 4.638E-03 4.488E-03 4.372E-03 4.400E-03 4.655E-03 4.485E-03 4.515E-03 4.642E-03 4.546E-03 4.573E-03 4.751E-03 4.674E-03 4.518E-03 4.657E-03 4.714E-03 4.803E-03 4.900E-03 4.999E-03 4.838E-03 4.465E-03 5.715E-03 5.938E-03 6.104E-03 6.262E-03 6.438E-03 6.725E-03 6.662E-03 6.212E-03 5.556E-03 6.030E-03 6.667E-03 6.039E-03 5.340E-03 5.273E-03 5.730E-03 6.470E-03 6.827E-03 6.785E-03 7.063E-03 7.025E-03 6.894E-03 6.451E-03 6.135E-03 6.053E-03 4.882E-03 4.561E-03 4.231E-03 4.205E-03 4.327E-03 4.288E-03 5.030E-03 5.026E-03 4.865E-03 4.464E-03 4.192E-03 3.929E-03 3.474E-03 2.898E-03 2.624E-03 1.949E-03 1.825E-03\n 4.800E+01 4.102E-03 4.161E-03 4.060E-03 4.144E-03 4.243E-03 4.194E-03 4.262E-03 4.126E-03 4.252E-03 4.270E-03 4.208E-03 4.108E-03 4.143E-03 4.243E-03 4.319E-03 4.314E-03 4.419E-03 4.552E-03 4.365E-03 4.140E-03 5.183E-03 5.397E-03 5.549E-03 5.669E-03 5.826E-03 6.093E-03 6.002E-03 5.532E-03 4.927E-03 5.489E-03 5.968E-03 5.360E-03 4.717E-03 4.669E-03 5.118E-03 5.863E-03 6.218E-03 6.157E-03 6.395E-03 6.348E-03 6.214E-03 5.786E-03 5.489E-03 5.417E-03 4.337E-03 4.047E-03 3.759E-03 3.748E-03 3.866E-03 3.872E-03 4.600E-03 4.609E-03 4.460E-03 4.094E-03 3.849E-03 3.611E-03 3.199E-03 2.675E-03 2.427E-03 1.812E-03 1.714E-03\n 5.000E+01 3.540E-03 3.756E-03 3.712E-03 3.690E-03 3.836E-03 3.722E-03 3.757E-03 3.711E-03 3.781E-03 3.797E-03 3.842E-03 3.765E-03 3.783E-03 3.852E-03 3.917E-03 3.900E-03 4.013E-03 4.125E-03 3.944E-03 3.840E-03 4.709E-03 4.915E-03 5.040E-03 5.130E-03 5.290E-03 5.527E-03 5.421E-03 4.940E-03 4.380E-03 5.008E-03 5.353E-03 4.769E-03 4.178E-03 4.145E-03 4.581E-03 5.323E-03 5.675E-03 5.598E-03 5.801E-03 5.746E-03 5.612E-03 5.200E-03 4.920E-03 4.856E-03 3.859E-03 3.599E-03 3.345E-03 3.346E-03 3.459E-03 3.500E-03 4.211E-03 4.231E-03 4.094E-03 3.759E-03 3.537E-03 3.321E-03 2.948E-03 2.472E-03 2.247E-03 1.685E-03 1.610E-03\n 5.200E+01 3.101E-03 3.463E-03 3.294E-03 3.414E-03 3.294E-03 3.477E-03 3.436E-03 3.246E-03 3.450E-03 3.470E-03 3.345E-03 3.314E-03 3.404E-03 3.450E-03 3.538E-03 3.494E-03 3.663E-03 3.722E-03 3.572E-03 3.557E-03 4.286E-03 4.496E-03 4.566E-03 4.637E-03 4.811E-03 5.009E-03 4.907E-03 4.426E-03 3.904E-03 4.578E-03 4.812E-03 4.253E-03 3.710E-03 3.690E-03 4.110E-03 4.842E-03 5.189E-03 5.098E-03 5.271E-03 5.211E-03 5.077E-03 4.681E-03 4.418E-03 4.362E-03 3.442E-03 3.206E-03 2.983E-03 2.993E-03 3.101E-03 3.169E-03 3.861E-03 3.889E-03 3.761E-03 3.455E-03 3.253E-03 3.057E-03 2.719E-03 2.285E-03 2.080E-03 1.568E-03 1.513E-03\n 5.400E+01 2.865E-03 3.098E-03 3.049E-03 3.037E-03 2.994E-03 3.124E-03 3.020E-03 3.004E-03 3.060E-03 3.084E-03 3.062E-03 3.066E-03 3.070E-03 3.115E-03 3.199E-03 3.185E-03 3.360E-03 3.352E-03 3.244E-03 3.295E-03 3.924E-03 4.095E-03 4.150E-03 4.208E-03 4.379E-03 4.551E-03 4.442E-03 3.970E-03 3.490E-03 4.194E-03 4.335E-03 3.803E-03 3.303E-03 3.292E-03 3.695E-03 4.413E-03 4.753E-03 4.653E-03 4.799E-03 4.734E-03 4.602E-03 4.223E-03 3.976E-03 3.926E-03 3.076E-03 2.863E-03 2.666E-03 2.681E-03 2.784E-03 2.873E-03 3.543E-03 3.579E-03 3.460E-03 3.178E-03 2.995E-03 2.816E-03 2.509E-03 2.113E-03 1.927E-03 1.460E-03 1.424E-03\n 5.600E+01 2.568E-03 2.763E-03 2.679E-03 2.697E-03 2.634E-03 2.763E-03 2.801E-03 2.694E-03 2.785E-03 2.812E-03 2.728E-03 2.730E-03 2.827E-03 2.793E-03 2.899E-03 2.908E-03 3.029E-03 3.082E-03 2.940E-03 3.056E-03 3.605E-03 3.714E-03 3.803E-03 3.847E-03 3.983E-03 4.154E-03 4.018E-03 3.562E-03 3.127E-03 3.849E-03 3.911E-03 3.407E-03 2.948E-03 2.945E-03 3.330E-03 4.030E-03 4.362E-03 4.254E-03 4.377E-03 4.308E-03 4.179E-03 3.817E-03 3.585E-03 3.540E-03 2.755E-03 2.562E-03 2.387E-03 2.407E-03 2.505E-03 2.608E-03 3.257E-03 3.298E-03 3.187E-03 2.927E-03 2.760E-03 2.597E-03 2.317E-03 1.956E-03 1.787E-03 1.360E-03 1.340E-03\n 5.800E+01 2.314E-03 2.469E-03 2.517E-03 2.392E-03 2.351E-03 2.484E-03 2.436E-03 2.423E-03 2.456E-03 2.485E-03 2.466E-03 2.515E-03 2.579E-03 2.519E-03 2.628E-03 2.664E-03 2.720E-03 2.830E-03 2.662E-03 2.839E-03 3.308E-03 3.381E-03 3.491E-03 3.524E-03 3.629E-03 3.799E-03 3.646E-03 3.204E-03 2.809E-03 3.539E-03 3.538E-03 3.061E-03 2.638E-03 2.641E-03 3.007E-03 3.687E-03 4.011E-03 3.896E-03 4.000E-03 3.928E-03 3.802E-03 3.456E-03 3.239E-03 3.199E-03 2.473E-03 2.298E-03 2.142E-03 2.165E-03 2.257E-03 2.371E-03 2.997E-03 3.042E-03 2.939E-03 2.699E-03 2.547E-03 2.397E-03 2.142E-03 1.812E-03 1.658E-03 1.268E-03 1.264E-03\n 6.000E+01 2.045E-03 2.230E-03 2.105E-03 2.224E-03 2.119E-03 2.278E-03 2.289E-03 2.169E-03 2.269E-03 2.294E-03 2.226E-03 2.241E-03 2.332E-03 2.280E-03 2.384E-03 2.397E-03 2.489E-03 2.573E-03 2.420E-03 2.640E-03 3.017E-03 3.114E-03 3.190E-03 3.212E-03 3.314E-03 3.473E-03 3.329E-03 2.898E-03 2.529E-03 3.259E-03 3.209E-03 2.758E-03 2.368E-03 2.375E-03 2.722E-03 3.380E-03 3.694E-03 3.575E-03 3.662E-03 3.588E-03 3.466E-03 3.137E-03 2.933E-03 2.896E-03 2.225E-03 2.065E-03 1.926E-03 1.952E-03 2.038E-03 2.160E-03 2.762E-03 2.810E-03 2.713E-03 2.492E-03 2.352E-03 2.215E-03 1.982E-03 1.680E-03 1.539E-03 1.184E-03 1.193E-03\n 6.200E+01 1.832E-03 2.012E-03 1.971E-03 1.961E-03 1.876E-03 2.023E-03 1.962E-03 1.941E-03 1.981E-03 2.011E-03 2.024E-03 2.028E-03 2.106E-03 2.050E-03 2.163E-03 2.162E-03 2.300E-03 2.326E-03 2.211E-03 2.459E-03 2.758E-03 2.878E-03 2.908E-03 2.924E-03 3.035E-03 3.173E-03 3.052E-03 2.631E-03 2.284E-03 3.007E-03 2.918E-03 2.493E-03 2.132E-03 2.142E-03 2.470E-03 3.104E-03 3.408E-03 3.286E-03 3.358E-03 3.284E-03 3.166E-03 2.853E-03 2.661E-03 2.628E-03 2.006E-03 1.861E-03 1.736E-03 1.763E-03 1.844E-03 1.970E-03 2.549E-03 2.600E-03 2.509E-03 2.303E-03 2.175E-03 2.050E-03 1.836E-03 1.560E-03 1.431E-03 1.106E-03 1.127E-03\n 6.400E+01 1.637E-03 1.805E-03 1.668E-03 1.820E-03 1.779E-03 1.881E-03 1.899E-03 1.745E-03 1.887E-03 1.911E-03 1.829E-03 1.775E-03 1.860E-03 1.888E-03 1.992E-03 1.949E-03 2.123E-03 2.112E-03 2.020E-03 2.293E-03 2.530E-03 2.649E-03 2.660E-03 2.671E-03 2.787E-03 2.905E-03 2.796E-03 2.391E-03 2.067E-03 2.778E-03 2.660E-03 2.258E-03 1.924E-03 1.936E-03 2.246E-03 2.856E-03 3.150E-03 3.026E-03 3.085E-03 3.011E-03 2.897E-03 2.600E-03 2.420E-03 2.389E-03 1.813E-03 1.680E-03 1.568E-03 1.595E-03 1.672E-03 1.800E-03 2.356E-03 2.409E-03 2.323E-03 2.132E-03 2.014E-03 1.899E-03 1.703E-03 1.449E-03 1.331E-03 1.034E-03 1.067E-03\n 6.600E+01 1.523E-03 1.565E-03 1.545E-03 1.566E-03 1.515E-03 1.606E-03 1.612E-03 1.582E-03 1.609E-03 1.635E-03 1.659E-03 1.675E-03 1.739E-03 1.657E-03 1.764E-03 1.803E-03 1.910E-03 1.937E-03 1.842E-03 2.139E-03 2.334E-03 2.423E-03 2.448E-03 2.454E-03 2.562E-03 2.672E-03 2.557E-03 2.173E-03 1.877E-03 2.571E-03 2.429E-03 2.050E-03 1.741E-03 1.754E-03 2.047E-03 2.633E-03 2.916E-03 2.792E-03 2.840E-03 2.767E-03 2.656E-03 2.374E-03 2.206E-03 2.178E-03 1.643E-03 1.521E-03 1.420E-03 1.447E-03 1.519E-03 1.648E-03 2.181E-03 2.235E-03 2.154E-03 1.976E-03 1.867E-03 1.761E-03 1.581E-03 1.348E-03 1.240E-03 9.686E-04 1.011E-03\n 6.800E+01 1.405E-03 1.386E-03 1.372E-03 1.443E-03 1.452E-03 1.489E-03 1.560E-03 1.434E-03 1.560E-03 1.581E-03 1.536E-03 1.478E-03 1.509E-03 1.570E-03 1.664E-03 1.630E-03 1.745E-03 1.777E-03 1.682E-03 1.997E-03 2.153E-03 2.224E-03 2.261E-03 2.262E-03 2.356E-03 2.465E-03 2.342E-03 1.980E-03 1.708E-03 2.384E-03 2.222E-03 1.866E-03 1.580E-03 1.594E-03 1.871E-03 2.432E-03 2.705E-03 2.580E-03 2.619E-03 2.547E-03 2.441E-03 2.173E-03 2.015E-03 1.989E-03 1.493E-03 1.381E-03 1.289E-03 1.316E-03 1.383E-03 1.511E-03 2.022E-03 2.076E-03 2.000E-03 1.834E-03 1.734E-03 1.635E-03 1.470E-03 1.256E-03 1.156E-03 9.082E-04 9.598E-04\n 7.000E+01 1.173E-03 1.233E-03 1.217E-03 1.255E-03 1.273E-03 1.296E-03 1.345E-03 1.269E-03 1.346E-03 1.370E-03 1.346E-03 1.310E-03 1.447E-03 1.387E-03 1.489E-03 1.498E-03 1.594E-03 1.640E-03 1.541E-03 1.865E-03 1.993E-03 2.050E-03 2.092E-03 2.091E-03 2.170E-03 2.278E-03 2.152E-03 1.810E-03 1.558E-03 2.214E-03 2.037E-03 1.703E-03 1.438E-03 1.453E-03 1.713E-03 2.251E-03 2.514E-03 2.390E-03 2.420E-03 2.350E-03 2.247E-03 1.993E-03 1.845E-03 1.821E-03 1.359E-03 1.256E-03 1.172E-03 1.199E-03 1.262E-03 1.388E-03 1.878E-03 1.932E-03 1.860E-03 1.705E-03 1.612E-03 1.521E-03 1.368E-03 1.171E-03 1.079E-03 8.527E-04 9.128E-04\n 7.200E+01 1.035E-03 9.951E-04 1.143E-03 1.116E-03 1.132E-03 1.126E-03 1.219E-03 1.185E-03 1.249E-03 1.273E-03 1.251E-03 1.230E-03 1.257E-03 1.277E-03 1.371E-03 1.383E-03 1.460E-03 1.496E-03 1.415E-03 1.740E-03 1.846E-03 1.897E-03 1.928E-03 1.927E-03 2.006E-03 2.102E-03 1.986E-03 1.660E-03 1.426E-03 2.060E-03 1.873E-03 1.558E-03 1.312E-03 1.327E-03 1.572E-03 2.087E-03 2.340E-03 2.217E-03 2.240E-03 2.172E-03 2.074E-03 1.833E-03 1.693E-03 1.671E-03 1.241E-03 1.146E-03 1.069E-03 1.095E-03 1.154E-03 1.278E-03 1.747E-03 1.801E-03 1.733E-03 1.587E-03 1.501E-03 1.417E-03 1.275E-03 1.093E-03 1.009E-03 8.018E-04 8.696E-04\n 7.400E+01 9.449E-04 9.464E-04 1.044E-03 9.915E-04 1.028E-03 1.044E-03 1.086E-03 1.051E-03 1.094E-03 1.120E-03 1.142E-03 1.087E-03 1.174E-03 1.166E-03 1.247E-03 1.261E-03 1.354E-03 1.371E-03 1.303E-03 1.623E-03 1.706E-03 1.763E-03 1.780E-03 1.780E-03 1.855E-03 1.942E-03 1.840E-03 1.527E-03 1.308E-03 1.920E-03 1.727E-03 1.431E-03 1.201E-03 1.216E-03 1.447E-03 1.939E-03 2.182E-03 2.061E-03 2.079E-03 2.011E-03 1.918E-03 1.689E-03 1.558E-03 1.537E-03 1.136E-03 1.048E-03 9.780E-04 1.003E-03 1.058E-03 1.179E-03 1.628E-03 1.681E-03 1.617E-03 1.480E-03 1.400E-03 1.321E-03 1.190E-03 1.022E-03 9.448E-04 7.551E-04 8.300E-04\n 7.600E+01 8.112E-04 8.911E-04 9.343E-04 8.510E-04 8.702E-04 9.402E-04 9.230E-04 9.361E-04 9.654E-04 9.970E-04 9.861E-04 1.024E-03 1.079E-03 1.034E-03 1.143E-03 1.167E-03 1.265E-03 1.271E-03 1.202E-03 1.516E-03 1.576E-03 1.644E-03 1.650E-03 1.648E-03 1.716E-03 1.801E-03 1.709E-03 1.410E-03 1.203E-03 1.792E-03 1.597E-03 1.317E-03 1.103E-03 1.117E-03 1.335E-03 1.805E-03 2.039E-03 1.920E-03 1.933E-03 1.867E-03 1.777E-03 1.560E-03 1.437E-03 1.418E-03 1.043E-03 9.612E-04 8.967E-04 9.203E-04 9.724E-04 1.089E-03 1.519E-03 1.572E-03 1.511E-03 1.382E-03 1.308E-03 1.234E-03 1.113E-03 9.576E-04 8.859E-04 7.123E-04 7.937E-04\n 7.800E+01 7.547E-04 7.964E-04 7.393E-04 8.407E-04 8.452E-04 9.038E-04 9.176E-04 8.564E-04 9.442E-04 9.722E-04 9.339E-04 8.687E-04 9.833E-04 9.845E-04 1.088E-03 1.031E-03 1.177E-03 1.172E-03 1.114E-03 1.422E-03 1.458E-03 1.530E-03 1.535E-03 1.530E-03 1.595E-03 1.677E-03 1.587E-03 1.305E-03 1.110E-03 1.676E-03 1.479E-03 1.216E-03 1.015E-03 1.029E-03 1.234E-03 1.684E-03 1.909E-03 1.792E-03 1.801E-03 1.736E-03 1.651E-03 1.445E-03 1.328E-03 1.310E-03 9.596E-04 8.839E-04 8.243E-04 8.468E-04 8.957E-04 1.009E-03 1.421E-03 1.473E-03 1.415E-03 1.293E-03 1.223E-03 1.155E-03 1.042E-03 8.983E-04 8.319E-04 6.732E-04 7.606E-04\n 8.000E+01 6.168E-04 7.455E-04 7.176E-04 7.703E-04 7.002E-04 8.419E-04 8.088E-04 7.345E-04 8.334E-04 8.596E-04 8.052E-04 8.120E-04 8.879E-04 8.921E-04 9.816E-04 9.693E-04 1.065E-03 1.075E-03 1.028E-03 1.335E-03 1.363E-03 1.415E-03 1.427E-03 1.420E-03 1.491E-03 1.563E-03 1.471E-03 1.208E-03 1.027E-03 1.570E-03 1.373E-03 1.125E-03 9.375E-04 9.504E-04 1.144E-03 1.574E-03 1.790E-03 1.676E-03 1.681E-03 1.619E-03 1.537E-03 1.341E-03 1.231E-03 1.215E-03 8.856E-04 8.150E-04 7.599E-04 7.813E-04 8.272E-04 9.363E-04 1.331E-03 1.382E-03 1.327E-03 1.212E-03 1.147E-03 1.083E-03 9.770E-04 8.441E-04 7.826E-04 6.374E-04 7.304E-04\n 8.200E+01 6.017E-04 5.838E-04 6.859E-04 6.616E-04 7.086E-04 6.984E-04 7.432E-04 7.617E-04 7.577E-04 7.825E-04 8.265E-04 7.978E-04 8.140E-04 8.316E-04 9.111E-04 9.331E-04 9.714E-04 1.002E-03 9.515E-04 1.252E-03 1.283E-03 1.307E-03 1.329E-03 1.327E-03 1.394E-03 1.455E-03 1.365E-03 1.119E-03 9.532E-04 1.474E-03 1.277E-03 1.044E-03 8.680E-04 8.804E-04 1.063E-03 1.474E-03 1.683E-03 1.571E-03 1.573E-03 1.512E-03 1.434E-03 1.248E-03 1.144E-03 1.129E-03 8.197E-04 7.537E-04 7.024E-04 7.227E-04 7.659E-04 8.709E-04 1.249E-03 1.300E-03 1.247E-03 1.138E-03 1.077E-03 1.017E-03 9.179E-04 7.944E-04 7.374E-04 6.046E-04 7.028E-04\n 8.400E+01 5.815E-04 6.414E-04 6.600E-04 6.508E-04 6.373E-04 7.282E-04 7.334E-04 6.757E-04 7.629E-04 7.878E-04 7.360E-04 7.306E-04 7.321E-04 7.856E-04 8.698E-04 8.712E-04 9.264E-04 9.444E-04 8.866E-04 1.172E-03 1.201E-03 1.222E-03 1.247E-03 1.248E-03 1.299E-03 1.361E-03 1.275E-03 1.042E-03 8.869E-04 1.387E-03 1.191E-03 9.716E-04 8.063E-04 8.180E-04 9.908E-04 1.384E-03 1.585E-03 1.476E-03 1.475E-03 1.416E-03 1.341E-03 1.165E-03 1.066E-03 1.052E-03 7.608E-04 6.990E-04 6.511E-04 6.704E-04 7.110E-04 8.118E-04 1.174E-03 1.224E-03 1.173E-03 1.070E-03 1.013E-03 9.563E-04 8.638E-04 7.491E-04 6.960E-04 5.747E-04 6.778E-04\n 8.600E+01 5.758E-04 5.953E-04 6.484E-04 6.075E-04 5.632E-04 6.601E-04 6.403E-04 6.009E-04 6.580E-04 6.815E-04 6.464E-04 6.490E-04 7.394E-04 7.172E-04 7.930E-04 7.912E-04 8.759E-04 8.861E-04 8.279E-04 1.102E-03 1.117E-03 1.149E-03 1.173E-03 1.172E-03 1.213E-03 1.279E-03 1.198E-03 9.762E-04 8.275E-04 1.307E-03 1.115E-03 9.075E-04 7.515E-04 7.623E-04 9.257E-04 1.302E-03 1.495E-03 1.389E-03 1.386E-03 1.330E-03 1.258E-03 1.089E-03 9.961E-04 9.823E-04 7.083E-04 6.503E-04 6.054E-04 6.236E-04 6.618E-04 7.586E-04 1.106E-03 1.155E-03 1.107E-03 1.009E-03 9.541E-04 9.011E-04 8.144E-04 7.076E-04 6.582E-04 5.474E-04 6.551E-04\n 8.800E+01 5.360E-04 5.441E-04 5.281E-04 6.198E-04 5.645E-04 6.346E-04 6.301E-04 6.043E-04 6.466E-04 6.631E-04 6.644E-04 6.279E-04 6.636E-04 6.723E-04 7.466E-04 7.381E-04 8.069E-04 8.233E-04 7.734E-04 1.040E-03 1.039E-03 1.083E-03 1.094E-03 1.092E-03 1.139E-03 1.200E-03 1.128E-03 9.172E-04 7.745E-04 1.234E-03 1.047E-03 8.503E-04 7.026E-04 7.125E-04 8.671E-04 1.228E-03 1.414E-03 1.310E-03 1.306E-03 1.251E-03 1.182E-03 1.022E-03 9.332E-04 9.201E-04 6.613E-04 6.067E-04 5.645E-04 5.817E-04 6.177E-04 7.104E-04 1.044E-03 1.092E-03 1.045E-03 9.523E-04 9.007E-04 8.507E-04 7.692E-04 6.697E-04 6.237E-04 5.226E-04 6.345E-04\n 9.000E+01 4.219E-04 4.670E-04 5.036E-04 5.569E-04 5.301E-04 5.511E-04 5.939E-04 5.430E-04 6.186E-04 6.336E-04 5.791E-04 5.844E-04 5.851E-04 6.656E-04 7.146E-04 6.979E-04 7.475E-04 7.582E-04 7.237E-04 9.825E-04 9.739E-04 1.016E-03 1.020E-03 1.019E-03 1.074E-03 1.126E-03 1.062E-03 8.631E-04 7.272E-04 1.167E-03 9.854E-04 7.990E-04 6.590E-04 6.680E-04 8.145E-04 1.160E-03 1.340E-03 1.239E-03 1.233E-03 1.181E-03 1.114E-03 9.610E-04 8.768E-04 8.643E-04 6.194E-04 5.679E-04 5.281E-04 5.442E-04 5.782E-04 6.669E-04 9.878E-04 1.034E-03 9.895E-04 9.007E-04 8.519E-04 8.047E-04 7.279E-04 6.350E-04 5.921E-04 4.999E-04 6.159E-04\n 9.200E+01 3.716E-04 3.760E-04 4.227E-04 4.274E-04 4.586E-04 4.338E-04 4.865E-04 4.965E-04 5.262E-04 5.410E-04 5.513E-04 5.501E-04 5.910E-04 6.015E-04 6.548E-04 6.488E-04 7.052E-04 7.179E-04 6.807E-04 9.286E-04 9.182E-04 9.542E-04 9.623E-04 9.632E-04 1.013E-03 1.061E-03 1.001E-03 8.143E-04 6.849E-04 1.107E-03 9.296E-04 7.531E-04 6.201E-04 6.282E-04 7.673E-04 1.099E-03 1.273E-03 1.174E-03 1.167E-03 1.117E-03 1.053E-03 9.063E-04 8.262E-04 8.144E-04 5.820E-04 5.332E-04 4.955E-04 5.107E-04 5.428E-04 6.277E-04 9.361E-04 9.811E-04 9.385E-04 8.536E-04 8.072E-04 7.626E-04 6.902E-04 6.034E-04 5.632E-04 4.793E-04 5.992E-04\n 9.400E+01 3.052E-04 3.131E-04 3.258E-04 3.683E-04 4.009E-04 3.984E-04 4.543E-04 4.420E-04 4.910E-04 5.036E-04 4.920E-04 4.946E-04 5.391E-04 5.575E-04 5.977E-04 6.139E-04 6.733E-04 6.868E-04 6.401E-04 8.803E-04 8.700E-04 8.978E-04 9.162E-04 9.180E-04 9.541E-04 1.007E-03 9.453E-04 7.698E-04 6.471E-04 1.052E-03 8.787E-04 7.117E-04 5.853E-04 5.926E-04 7.248E-04 1.044E-03 1.212E-03 1.116E-03 1.108E-03 1.059E-03 9.977E-04 8.573E-04 7.808E-04 7.696E-04 5.486E-04 5.022E-04 4.663E-04 4.806E-04 5.111E-04 5.922E-04 8.890E-04 9.328E-04 8.918E-04 8.106E-04 7.665E-04 7.241E-04 6.557E-04 5.745E-04 5.369E-04 4.606E-04 5.841E-04\n 9.600E+01 2.443E-04 2.701E-04 2.969E-04 3.043E-04 3.601E-04 3.330E-04 3.903E-04 3.900E-04 4.337E-04 4.479E-04 4.556E-04 4.453E-04 4.885E-04 5.154E-04 5.543E-04 5.785E-04 6.196E-04 6.536E-04 5.993E-04 8.363E-04 8.283E-04 8.410E-04 8.740E-04 8.763E-04 8.990E-04 9.600E-04 8.919E-04 7.283E-04 6.133E-04 1.002E-03 8.324E-04 6.744E-04 5.544E-04 5.609E-04 6.867E-04 9.938E-04 1.157E-03 1.063E-03 1.055E-03 1.007E-03 9.481E-04 8.132E-04 7.402E-04 7.296E-04 5.187E-04 4.746E-04 4.404E-04 4.538E-04 4.826E-04 5.601E-04 8.460E-04 8.886E-04 8.491E-04 7.712E-04 7.292E-04 6.889E-04 6.241E-04 5.480E-04 5.129E-04 4.436E-04 5.707E-04\n 9.800E+01 2.124E-04 2.347E-04 2.776E-04 2.610E-04 2.959E-04 2.995E-04 3.162E-04 3.498E-04 3.542E-04 3.702E-04 3.970E-04 4.136E-04 4.716E-04 4.479E-04 4.944E-04 5.538E-04 5.600E-04 6.227E-04 5.615E-04 7.937E-04 7.881E-04 7.895E-04 8.300E-04 8.327E-04 8.528E-04 9.147E-04 8.445E-04 6.919E-04 5.832E-04 9.571E-04 7.915E-04 6.414E-04 5.269E-04 5.326E-04 6.526E-04 9.487E-04 1.107E-03 1.015E-03 1.006E-03 9.603E-04 9.035E-04 7.739E-04 7.038E-04 6.937E-04 4.922E-04 4.500E-04 4.172E-04 4.298E-04 4.572E-04 5.311E-04 8.067E-04 8.482E-04 8.100E-04 7.352E-04 6.950E-04 6.567E-04 5.953E-04 5.239E-04 4.909E-04 4.282E-04 5.587E-04\n 1.000E+02 2.006E-04 2.183E-04 2.290E-04 2.327E-04 2.642E-04 2.683E-04 2.733E-04 3.353E-04 3.048E-04 3.185E-04 3.722E-04 3.745E-04 4.132E-04 3.956E-04 4.423E-04 5.087E-04 5.220E-04 5.759E-04 5.325E-04 7.530E-04 7.433E-04 7.525E-04 7.827E-04 7.857E-04 8.150E-04 8.692E-04 8.076E-04 6.626E-04 5.567E-04 9.165E-04 7.564E-04 6.129E-04 5.026E-04 5.074E-04 6.221E-04 9.080E-04 1.062E-03 9.724E-04 9.632E-04 9.183E-04 8.636E-04 7.387E-04 6.714E-04 6.617E-04 4.685E-04 4.281E-04 3.966E-04 4.084E-04 4.345E-04 5.049E-04 7.709E-04 8.111E-04 7.742E-04 7.022E-04 6.638E-04 6.273E-04 5.689E-04 5.019E-04 4.709E-04 4.143E-04 5.481E-04\n 1.020E+02 1.704E-04 1.950E-04 2.132E-04 2.136E-04 2.398E-04 2.464E-04 2.665E-04 3.000E-04 2.995E-04 3.139E-04 3.287E-04 3.390E-04 3.804E-04 3.819E-04 4.372E-04 4.614E-04 5.170E-04 5.402E-04 5.132E-04 7.172E-04 6.996E-04 7.279E-04 7.407E-04 7.447E-04 7.790E-04 8.262E-04 7.791E-04 6.382E-04 5.335E-04 8.800E-04 7.264E-04 5.883E-04 4.813E-04 4.851E-04 5.948E-04 8.715E-04 1.021E-03 9.338E-04 9.244E-04 8.808E-04 8.278E-04 7.075E-04 6.426E-04 6.331E-04 4.476E-04 4.087E-04 3.783E-04 3.894E-04 4.142E-04 4.813E-04 7.381E-04 7.772E-04 7.415E-04 6.721E-04 6.352E-04 6.003E-04 5.448E-04 4.817E-04 4.527E-04 4.017E-04 5.388E-04\n 1.040E+02 1.474E-04 1.765E-04 1.964E-04 2.174E-04 1.962E-04 2.414E-04 2.431E-04 2.504E-04 2.729E-04 2.888E-04 2.841E-04 3.220E-04 3.487E-04 3.413E-04 4.046E-04 4.333E-04 5.043E-04 5.102E-04 4.922E-04 6.879E-04 6.637E-04 7.011E-04 7.072E-04 7.115E-04 7.450E-04 7.920E-04 7.513E-04 6.153E-04 5.130E-04 8.473E-04 6.995E-04 5.664E-04 4.625E-04 4.654E-04 5.706E-04 8.388E-04 9.849E-04 8.993E-04 8.898E-04 8.476E-04 7.960E-04 6.798E-04 6.171E-04 6.079E-04 4.291E-04 3.916E-04 3.621E-04 3.725E-04 3.961E-04 4.601E-04 7.082E-04 7.461E-04 7.115E-04 6.445E-04 6.091E-04 5.756E-04 5.227E-04 4.634E-04 4.361E-04 3.904E-04 5.306E-04\n 1.060E+02 1.489E-04 1.663E-04 1.747E-04 1.994E-04 1.972E-04 2.216E-04 2.251E-04 2.263E-04 2.556E-04 2.693E-04 2.628E-04 2.791E-04 3.159E-04 3.204E-04 3.733E-04 4.048E-04 4.610E-04 4.838E-04 4.673E-04 6.633E-04 6.371E-04 6.664E-04 6.824E-04 6.862E-04 7.146E-04 7.671E-04 7.211E-04 5.936E-04 4.950E-04 8.181E-04 6.745E-04 5.467E-04 4.461E-04 4.481E-04 5.492E-04 8.097E-04 9.526E-04 8.686E-04 8.591E-04 8.183E-04 7.680E-04 6.553E-04 5.947E-04 5.857E-04 4.128E-04 3.765E-04 3.477E-04 3.575E-04 3.801E-04 4.409E-04 6.809E-04 7.176E-04 6.840E-04 6.192E-04 5.851E-04 5.530E-04 5.026E-04 4.467E-04 4.210E-04 3.803E-04 5.235E-04\n 1.080E+02 1.488E-04 1.601E-04 1.826E-04 1.828E-04 1.901E-04 2.077E-04 2.153E-04 2.140E-04 2.358E-04 2.465E-04 2.440E-04 2.580E-04 3.014E-04 2.968E-04 3.468E-04 3.897E-04 4.241E-04 4.669E-04 4.456E-04 6.409E-04 6.183E-04 6.348E-04 6.613E-04 6.661E-04 6.859E-04 7.451E-04 6.936E-04 5.747E-04 4.795E-04 7.923E-04 6.522E-04 5.296E-04 4.319E-04 4.330E-04 5.305E-04 7.840E-04 9.241E-04 8.414E-04 8.322E-04 7.928E-04 7.436E-04 6.339E-04 5.751E-04 5.664E-04 3.986E-04 3.633E-04 3.352E-04 3.442E-04 3.659E-04 4.236E-04 6.559E-04 6.914E-04 6.588E-04 5.960E-04 5.631E-04 5.323E-04 4.841E-04 4.314E-04 4.072E-04 3.712E-04 5.175E-04\n 1.100E+02 1.355E-04 1.672E-04 1.829E-04 1.790E-04 1.787E-04 1.984E-04 2.117E-04 1.924E-04 2.277E-04 2.390E-04 2.202E-04 2.475E-04 2.790E-04 2.787E-04 3.270E-04 3.726E-04 4.064E-04 4.450E-04 4.309E-04 6.200E-04 6.002E-04 6.127E-04 6.397E-04 6.463E-04 6.625E-04 7.230E-04 6.728E-04 5.592E-04 4.665E-04 7.697E-04 6.338E-04 5.153E-04 4.198E-04 4.200E-04 5.142E-04 7.615E-04 8.991E-04 8.178E-04 8.089E-04 7.706E-04 7.225E-04 6.155E-04 5.581E-04 5.497E-04 3.863E-04 3.518E-04 3.242E-04 3.326E-04 3.534E-04 4.082E-04 6.331E-04 6.674E-04 6.357E-04 5.747E-04 5.430E-04 5.133E-04 4.672E-04 4.175E-04 3.947E-04 3.631E-04 5.123E-04\n 1.120E+02 1.593E-04 1.507E-04 1.704E-04 1.762E-04 1.900E-04 1.829E-04 1.915E-04 1.997E-04 2.101E-04 2.222E-04 2.374E-04 2.265E-04 2.577E-04 2.787E-04 3.190E-04 3.458E-04 3.946E-04 4.203E-04 4.199E-04 5.995E-04 5.776E-04 5.978E-04 6.177E-04 6.246E-04 6.468E-04 7.022E-04 6.581E-04 5.470E-04 4.558E-04 7.505E-04 6.195E-04 5.038E-04 4.097E-04 4.089E-04 5.001E-04 7.421E-04 8.775E-04 7.975E-04 7.891E-04 7.515E-04 7.045E-04 5.998E-04 5.437E-04 5.354E-04 3.758E-04 3.420E-04 3.147E-04 3.226E-04 3.425E-04 3.943E-04 6.123E-04 6.453E-04 6.144E-04 5.551E-04 5.244E-04 4.959E-04 4.517E-04 4.048E-04 3.834E-04 3.559E-04 5.080E-04\n 1.140E+02 1.466E-04 1.440E-04 1.647E-04 1.651E-04 1.609E-04 1.707E-04 2.107E-04 1.866E-04 2.258E-04 2.373E-04 2.175E-04 2.192E-04 2.383E-04 2.536E-04 3.081E-04 3.233E-04 3.869E-04 3.979E-04 4.102E-04 5.798E-04 5.571E-04 5.876E-04 5.973E-04 6.047E-04 6.340E-04 6.837E-04 6.475E-04 5.383E-04 4.474E-04 7.344E-04 6.084E-04 4.949E-04 4.015E-04 3.997E-04 4.883E-04 7.257E-04 8.592E-04 7.803E-04 7.725E-04 7.356E-04 6.895E-04 5.868E-04 5.317E-04 5.235E-04 3.669E-04 3.337E-04 3.067E-04 3.139E-04 3.331E-04 3.819E-04 5.931E-04 6.249E-04 5.948E-04 5.371E-04 5.074E-04 4.799E-04 4.376E-04 3.932E-04 3.731E-04 3.495E-04 5.045E-04\n 1.160E+02 1.450E-04 1.450E-04 1.554E-04 1.599E-04 1.548E-04 1.843E-04 1.895E-04 1.877E-04 2.113E-04 2.226E-04 2.108E-04 2.006E-04 2.173E-04 2.428E-04 2.910E-04 3.070E-04 3.773E-04 3.829E-04 4.015E-04 5.635E-04 5.442E-04 5.770E-04 5.830E-04 5.919E-04 6.227E-04 6.704E-04 6.382E-04 5.320E-04 4.412E-04 7.213E-04 5.998E-04 4.882E-04 3.951E-04 3.923E-04 4.786E-04 7.121E-04 8.440E-04 7.661E-04 7.591E-04 7.227E-04 6.774E-04 5.763E-04 5.221E-04 5.138E-04 3.597E-04 3.268E-04 2.999E-04 3.065E-04 3.250E-04 3.709E-04 5.756E-04 6.061E-04 5.767E-04 5.205E-04 4.917E-04 4.651E-04 4.245E-04 3.827E-04 3.638E-04 3.439E-04 5.017E-04\n 1.180E+02 1.392E-04 1.348E-04 1.555E-04 1.489E-04 1.756E-04 1.617E-04 1.846E-04 1.762E-04 1.955E-04 2.045E-04 1.997E-04 1.919E-04 2.203E-04 2.423E-04 2.888E-04 3.087E-04 3.552E-04 3.841E-04 3.935E-04 5.530E-04 5.394E-04 5.633E-04 5.780E-04 5.888E-04 6.133E-04 6.643E-04 6.293E-04 5.272E-04 4.372E-04 7.111E-04 5.936E-04 4.836E-04 3.905E-04 3.866E-04 4.709E-04 7.012E-04 8.319E-04 7.549E-04 7.487E-04 7.129E-04 6.682E-04 5.683E-04 5.146E-04 5.063E-04 3.539E-04 3.213E-04 2.943E-04 3.003E-04 3.182E-04 3.611E-04 5.595E-04 5.886E-04 5.600E-04 5.052E-04 4.772E-04 4.515E-04 4.126E-04 3.731E-04 3.553E-04 3.390E-04 4.996E-04\n 1.200E+02 1.373E-04 1.341E-04 1.652E-04 1.425E-04 1.557E-04 1.546E-04 1.817E-04 1.638E-04 1.944E-04 2.028E-04 1.913E-04 2.024E-04 2.157E-04 2.212E-04 2.708E-04 3.154E-04 3.366E-04 3.842E-04 3.866E-04 5.462E-04 5.375E-04 5.532E-04 5.770E-04 5.886E-04 6.068E-04 6.626E-04 6.234E-04 5.250E-04 4.352E-04 7.039E-04 5.902E-04 4.812E-04 3.877E-04 3.826E-04 4.651E-04 6.930E-04 8.228E-04 7.465E-04 7.413E-04 7.060E-04 6.617E-04 5.626E-04 5.093E-04 5.010E-04 3.496E-04 3.171E-04 2.899E-04 2.953E-04 3.126E-04 3.524E-04 5.446E-04 5.724E-04 5.444E-04 4.910E-04 4.638E-04 4.389E-04 4.016E-04 3.643E-04 3.477E-04 3.348E-04 4.982E-04\n 1.220E+02 1.189E-04 1.455E-04 1.571E-04 1.393E-04 1.443E-04 1.579E-04 1.599E-04 1.672E-04 1.731E-04 1.814E-04 1.911E-04 2.026E-04 2.074E-04 2.098E-04 2.528E-04 3.034E-04 3.284E-04 3.785E-04 3.847E-04 5.405E-04 5.342E-04 5.495E-04 5.761E-04 5.873E-04 6.069E-04 6.632E-04 6.230E-04 5.268E-04 4.353E-04 6.997E-04 5.904E-04 4.815E-04 3.868E-04 3.804E-04 4.614E-04 6.875E-04 8.166E-04 7.409E-04 7.369E-04 7.021E-04 6.580E-04 5.594E-04 5.062E-04 4.977E-04 3.467E-04 3.141E-04 2.866E-04 2.913E-04 3.081E-04 3.448E-04 5.308E-04 5.572E-04 5.299E-04 4.777E-04 4.513E-04 4.273E-04 3.915E-04 3.564E-04 3.408E-04 3.311E-04 4.973E-04\n 1.240E+02 1.362E-04 1.390E-04 1.509E-04 1.449E-04 1.587E-04 1.557E-04 1.508E-04 1.680E-04 1.626E-04 1.712E-04 1.909E-04 1.693E-04 2.090E-04 2.196E-04 2.567E-04 2.883E-04 3.302E-04 3.735E-04 3.877E-04 5.356E-04 5.299E-04 5.540E-04 5.753E-04 5.867E-04 6.125E-04 6.651E-04 6.289E-04 5.325E-04 4.377E-04 6.988E-04 5.944E-04 4.845E-04 3.878E-04 3.798E-04 4.596E-04 6.846E-04 8.133E-04 7.382E-04 7.356E-04 7.010E-04 6.571E-04 5.585E-04 5.052E-04 4.965E-04 3.452E-04 3.124E-04 2.843E-04 2.884E-04 3.047E-04 3.381E-04 5.180E-04 5.428E-04 5.162E-04 4.653E-04 4.396E-04 4.164E-04 3.821E-04 3.491E-04 3.346E-04 3.280E-04 4.969E-04\n 1.260E+02 1.286E-04 1.336E-04 1.414E-04 1.427E-04 1.391E-04 1.560E-04 1.713E-04 1.540E-04 1.740E-04 1.828E-04 1.752E-04 1.777E-04 2.044E-04 2.090E-04 2.534E-04 2.853E-04 3.377E-04 3.738E-04 3.927E-04 5.336E-04 5.296E-04 5.655E-04 5.775E-04 5.912E-04 6.204E-04 6.694E-04 6.399E-04 5.414E-04 4.424E-04 7.012E-04 6.020E-04 4.900E-04 3.905E-04 3.808E-04 4.598E-04 6.843E-04 8.129E-04 7.382E-04 7.372E-04 7.029E-04 6.590E-04 5.601E-04 5.064E-04 4.973E-04 3.451E-04 3.118E-04 2.831E-04 2.865E-04 3.023E-04 3.322E-04 5.059E-04 5.293E-04 5.033E-04 4.537E-04 4.287E-04 4.063E-04 3.734E-04 3.425E-04 3.290E-04 3.254E-04 4.971E-04\n 1.280E+02 1.242E-04 1.260E-04 1.364E-04 1.473E-04 1.439E-04 1.624E-04 1.653E-04 1.515E-04 1.808E-04 1.907E-04 1.730E-04 1.748E-04 2.011E-04 2.056E-04 2.582E-04 2.875E-04 3.448E-04 3.863E-04 4.010E-04 5.351E-04 5.378E-04 5.791E-04 5.884E-04 6.049E-04 6.304E-04 6.808E-04 6.542E-04 5.534E-04 4.498E-04 7.069E-04 6.127E-04 4.981E-04 3.950E-04 3.836E-04 4.621E-04 6.867E-04 8.152E-04 7.411E-04 7.420E-04 7.078E-04 6.638E-04 5.641E-04 5.098E-04 5.003E-04 3.463E-04 3.124E-04 2.828E-04 2.856E-04 3.009E-04 3.272E-04 4.944E-04 5.163E-04 4.910E-04 4.426E-04 4.184E-04 3.968E-04 3.654E-04 3.365E-04 3.239E-04 3.233E-04 4.976E-04\n 1.300E+02 1.143E-04 1.279E-04 1.337E-04 1.333E-04 1.489E-04 1.495E-04 1.684E-04 1.547E-04 1.818E-04 1.926E-04 1.797E-04 1.722E-04 2.029E-04 2.141E-04 2.626E-04 2.999E-04 3.551E-04 4.005E-04 4.133E-04 5.401E-04 5.556E-04 5.924E-04 6.085E-04 6.259E-04 6.454E-04 7.012E-04 6.711E-04 5.697E-04 4.599E-04 7.161E-04 6.268E-04 5.090E-04 4.015E-04 3.882E-04 4.663E-04 6.916E-04 8.201E-04 7.467E-04 7.500E-04 7.158E-04 6.717E-04 5.707E-04 5.154E-04 5.055E-04 3.488E-04 3.142E-04 2.836E-04 2.856E-04 3.005E-04 3.228E-04 4.835E-04 5.038E-04 4.793E-04 4.321E-04 4.087E-04 3.878E-04 3.579E-04 3.311E-04 3.194E-04 3.216E-04 4.986E-04\n 1.320E+02 1.242E-04 1.333E-04 1.623E-04 1.480E-04 1.473E-04 1.492E-04 1.683E-04 1.546E-04 1.841E-04 1.931E-04 1.653E-04 1.840E-04 2.000E-04 2.120E-04 2.621E-04 3.150E-04 3.656E-04 4.083E-04 4.312E-04 5.484E-04 5.784E-04 6.096E-04 6.318E-04 6.495E-04 6.688E-04 7.278E-04 6.926E-04 5.910E-04 4.731E-04 7.290E-04 6.453E-04 5.233E-04 4.101E-04 3.945E-04 4.728E-04 6.992E-04 8.275E-04 7.550E-04 7.612E-04 7.269E-04 6.826E-04 5.798E-04 5.233E-04 5.128E-04 3.527E-04 3.171E-04 2.852E-04 2.864E-04 3.009E-04 3.189E-04 4.729E-04 4.916E-04 4.678E-04 4.221E-04 3.994E-04 3.794E-04 3.510E-04 3.261E-04 3.154E-04 3.203E-04 4.999E-04\n 1.340E+02 1.289E-04 1.274E-04 1.441E-04 1.412E-04 1.504E-04 1.493E-04 1.606E-04 1.626E-04 1.701E-04 1.798E-04 1.884E-04 2.007E-04 1.973E-04 2.188E-04 2.722E-04 3.291E-04 3.801E-04 4.264E-04 4.586E-04 5.611E-04 6.039E-04 6.329E-04 6.574E-04 6.772E-04 7.044E-04 7.578E-04 7.204E-04 6.171E-04 4.895E-04 7.459E-04 6.697E-04 5.413E-04 4.209E-04 4.028E-04 4.814E-04 7.092E-04 8.372E-04 7.659E-04 7.755E-04 7.412E-04 6.966E-04 5.917E-04 5.336E-04 5.224E-04 3.579E-04 3.211E-04 2.878E-04 2.881E-04 3.022E-04 3.156E-04 4.626E-04 4.797E-04 4.567E-04 4.123E-04 3.905E-04 3.714E-04 3.444E-04 3.216E-04 3.118E-04 3.193E-04 5.016E-04\n 1.360E+02 1.360E-04 1.265E-04 1.571E-04 1.293E-04 1.549E-04 1.488E-04 1.587E-04 1.718E-04 1.785E-04 1.884E-04 2.208E-04 1.946E-04 2.198E-04 2.503E-04 3.065E-04 3.521E-04 4.082E-04 4.573E-04 4.956E-04 5.778E-04 6.342E-04 6.665E-04 6.907E-04 7.133E-04 7.505E-04 7.937E-04 7.569E-04 6.481E-04 5.095E-04 7.668E-04 7.002E-04 5.631E-04 4.338E-04 4.130E-04 4.923E-04 7.216E-04 8.488E-04 7.792E-04 7.930E-04 7.587E-04 7.137E-04 6.063E-04 5.463E-04 5.342E-04 3.645E-04 3.263E-04 2.914E-04 2.907E-04 3.043E-04 3.127E-04 4.523E-04 4.680E-04 4.458E-04 4.029E-04 3.820E-04 3.637E-04 3.383E-04 3.176E-04 3.086E-04 3.187E-04 5.035E-04\n 1.380E+02 1.275E-04 1.385E-04 1.555E-04 1.380E-04 1.550E-04 1.508E-04 1.694E-04 1.824E-04 1.910E-04 2.038E-04 2.119E-04 2.103E-04 2.403E-04 2.788E-04 3.361E-04 3.876E-04 4.521E-04 5.021E-04 5.398E-04 6.004E-04 6.727E-04 7.145E-04 7.364E-04 7.616E-04 8.012E-04 8.415E-04 8.039E-04 6.853E-04 5.332E-04 7.918E-04 7.365E-04 5.888E-04 4.491E-04 4.254E-04 5.055E-04 7.361E-04 8.619E-04 7.946E-04 8.134E-04 7.796E-04 7.340E-04 6.237E-04 5.615E-04 5.483E-04 3.725E-04 3.326E-04 2.957E-04 2.940E-04 3.072E-04 3.101E-04 4.422E-04 4.564E-04 4.350E-04 3.938E-04 3.738E-04 3.564E-04 3.326E-04 3.139E-04 3.059E-04 3.184E-04 5.058E-04\n 1.400E+02 1.299E-04 1.403E-04 1.546E-04 1.673E-04 1.591E-04 1.808E-04 1.848E-04 1.868E-04 2.055E-04 2.197E-04 2.166E-04 2.304E-04 2.510E-04 2.975E-04 3.688E-04 4.260E-04 5.107E-04 5.565E-04 5.906E-04 6.324E-04 7.225E-04 7.764E-04 7.985E-04 8.243E-04 8.577E-04 9.059E-04 8.613E-04 7.305E-04 5.606E-04 8.207E-04 7.785E-04 6.186E-04 4.669E-04 4.398E-04 5.212E-04 7.524E-04 8.758E-04 8.116E-04 8.366E-04 8.036E-04 7.575E-04 6.439E-04 5.792E-04 5.648E-04 3.818E-04 3.400E-04 3.010E-04 2.980E-04 3.107E-04 3.076E-04 4.320E-04 4.450E-04 4.244E-04 3.849E-04 3.658E-04 3.495E-04 3.273E-04 3.107E-04 3.035E-04 3.184E-04 5.082E-04\n 1.420E+02 1.389E-04 1.669E-04 1.522E-04 1.553E-04 1.797E-04 1.715E-04 1.932E-04 1.937E-04 2.136E-04 2.290E-04 2.383E-04 2.675E-04 2.934E-04 3.211E-04 3.988E-04 4.906E-04 5.735E-04 6.344E-04 6.523E-04 6.746E-04 7.898E-04 8.463E-04 8.790E-04 9.051E-04 9.277E-04 9.861E-04 9.281E-04 7.837E-04 5.921E-04 8.531E-04 8.276E-04 6.530E-04 4.872E-04 4.564E-04 5.392E-04 7.699E-04 8.896E-04 8.297E-04 8.623E-04 8.305E-04 7.841E-04 6.669E-04 5.994E-04 5.837E-04 3.924E-04 3.484E-04 3.070E-04 3.028E-04 3.149E-04 3.052E-04 4.218E-04 4.338E-04 4.141E-04 3.762E-04 3.583E-04 3.429E-04 3.224E-04 3.078E-04 3.014E-04 3.186E-04 5.108E-04\n 1.440E+02 1.486E-04 1.465E-04 1.748E-04 1.778E-04 1.933E-04 2.059E-04 2.207E-04 2.345E-04 2.651E-04 2.825E-04 2.920E-04 2.866E-04 3.321E-04 3.961E-04 4.773E-04 5.668E-04 6.711E-04 7.306E-04 7.342E-04 7.266E-04 8.774E-04 9.299E-04 9.724E-04 1.001E-03 1.019E-03 1.079E-03 1.006E-03 8.450E-04 6.282E-04 8.884E-04 8.856E-04 6.923E-04 5.100E-04 4.752E-04 5.595E-04 7.878E-04 9.025E-04 8.481E-04 8.898E-04 8.598E-04 8.135E-04 6.926E-04 6.220E-04 6.047E-04 4.042E-04 3.578E-04 3.137E-04 3.081E-04 3.196E-04 3.027E-04 4.116E-04 4.228E-04 4.040E-04 3.679E-04 3.510E-04 3.367E-04 3.178E-04 3.053E-04 2.997E-04 3.190E-04 5.136E-04\n 1.460E+02 1.513E-04 1.755E-04 1.972E-04 2.022E-04 2.201E-04 2.211E-04 2.429E-04 2.675E-04 2.985E-04 3.209E-04 3.307E-04 3.603E-04 3.881E-04 4.826E-04 5.814E-04 6.823E-04 8.049E-04 8.436E-04 8.357E-04 7.864E-04 9.856E-04 1.033E-03 1.082E-03 1.111E-03 1.135E-03 1.186E-03 1.099E-03 9.147E-04 6.688E-04 9.256E-04 9.531E-04 7.367E-04 5.352E-04 4.961E-04 5.819E-04 8.051E-04 9.134E-04 8.658E-04 9.182E-04 8.905E-04 8.449E-04 7.206E-04 6.467E-04 6.276E-04 4.172E-04 3.681E-04 3.211E-04 3.138E-04 3.246E-04 3.001E-04 4.017E-04 4.124E-04 3.943E-04 3.600E-04 3.442E-04 3.309E-04 3.137E-04 3.031E-04 2.983E-04 3.197E-04 5.165E-04\n 1.480E+02 1.591E-04 1.692E-04 2.269E-04 2.148E-04 2.516E-04 2.597E-04 3.094E-04 3.531E-04 3.837E-04 4.109E-04 4.344E-04 4.882E-04 5.168E-04 6.372E-04 7.458E-04 8.410E-04 9.504E-04 1.000E-03 9.522E-04 8.528E-04 1.115E-03 1.161E-03 1.222E-03 1.250E-03 1.274E-03 1.316E-03 1.207E-03 9.915E-04 7.138E-04 9.630E-04 1.030E-03 7.854E-04 5.625E-04 5.189E-04 6.058E-04 8.207E-04 9.213E-04 8.814E-04 9.461E-04 9.215E-04 8.775E-04 7.504E-04 6.731E-04 6.519E-04 4.310E-04 3.790E-04 3.288E-04 3.198E-04 3.298E-04 2.972E-04 3.921E-04 4.027E-04 3.853E-04 3.527E-04 3.380E-04 3.257E-04 3.100E-04 3.014E-04 2.973E-04 3.205E-04 5.195E-04\n 1.500E+02 1.933E-04 1.894E-04 2.373E-04 2.778E-04 3.535E-04 3.244E-04 3.930E-04 4.623E-04 5.083E-04 5.410E-04 5.583E-04 6.590E-04 7.113E-04 8.450E-04 9.337E-04 1.057E-03 1.136E-03 1.210E-03 1.077E-03 9.250E-04 1.268E-03 1.322E-03 1.398E-03 1.421E-03 1.433E-03 1.474E-03 1.336E-03 1.075E-03 7.624E-04 9.985E-04 1.114E-03 8.378E-04 5.916E-04 5.431E-04 6.304E-04 8.331E-04 9.258E-04 8.939E-04 9.721E-04 9.514E-04 9.097E-04 7.810E-04 7.004E-04 6.769E-04 4.453E-04 3.903E-04 3.368E-04 3.259E-04 3.349E-04 2.939E-04 3.833E-04 3.941E-04 3.772E-04 3.460E-04 3.324E-04 3.210E-04 3.069E-04 3.000E-04 2.966E-04 3.215E-04 5.226E-04\n 1.520E+02 2.495E-04 2.855E-04 3.210E-04 4.372E-04 4.882E-04 5.127E-04 5.687E-04 6.610E-04 7.383E-04 7.760E-04 7.957E-04 8.755E-04 9.748E-04 1.084E-03 1.160E-03 1.285E-03 1.403E-03 1.451E-03 1.215E-03 1.002E-03 1.446E-03 1.531E-03 1.596E-03 1.613E-03 1.616E-03 1.654E-03 1.489E-03 1.170E-03 8.139E-04 1.029E-03 1.207E-03 8.938E-04 6.220E-04 5.680E-04 6.545E-04 8.413E-04 9.273E-04 9.023E-04 9.945E-04 9.784E-04 9.399E-04 8.111E-04 7.274E-04 7.015E-04 4.596E-04 4.015E-04 3.447E-04 3.317E-04 3.395E-04 2.904E-04 3.755E-04 3.868E-04 3.703E-04 3.403E-04 3.276E-04 3.170E-04 3.042E-04 2.989E-04 2.961E-04 3.226E-04 5.257E-04\n 1.540E+02 4.012E-04 4.758E-04 5.364E-04 7.222E-04 7.243E-04 8.552E-04 8.552E-04 9.984E-04 1.084E-03 1.123E-03 1.101E-03 1.329E-03 1.417E-03 1.507E-03 1.545E-03 1.615E-03 1.726E-03 1.709E-03 1.380E-03 1.081E-03 1.657E-03 1.773E-03 1.812E-03 1.820E-03 1.832E-03 1.848E-03 1.660E-03 1.273E-03 8.674E-04 1.053E-03 1.308E-03 9.527E-04 6.524E-04 5.926E-04 6.764E-04 8.446E-04 9.276E-04 9.065E-04 1.012E-03 1.001E-03 9.660E-04 8.386E-04 7.526E-04 7.242E-04 4.732E-04 4.123E-04 3.521E-04 3.369E-04 3.435E-04 2.865E-04 3.692E-04 3.814E-04 3.649E-04 3.357E-04 3.237E-04 3.138E-04 3.021E-04 2.983E-04 2.960E-04 3.239E-04 5.288E-04\n 1.560E+02 7.876E-04 8.751E-04 1.016E-03 1.367E-03 1.404E-03 1.396E-03 1.472E-03 1.794E-03 1.770E-03 1.787E-03 1.816E-03 2.050E-03 1.963E-03 2.086E-03 2.023E-03 1.990E-03 2.037E-03 1.971E-03 1.561E-03 1.159E-03 1.898E-03 2.025E-03 2.057E-03 2.048E-03 2.083E-03 2.056E-03 1.836E-03 1.376E-03 9.208E-04 1.069E-03 1.411E-03 1.011E-03 6.813E-04 6.150E-04 6.937E-04 8.441E-04 9.310E-04 9.083E-04 1.024E-03 1.017E-03 9.861E-04 8.613E-04 7.739E-04 7.433E-04 4.852E-04 4.218E-04 3.586E-04 3.411E-04 3.463E-04 2.826E-04 3.648E-04 3.782E-04 3.614E-04 3.324E-04 3.209E-04 3.115E-04 3.007E-04 2.980E-04 2.961E-04 3.252E-04 5.318E-04\n 1.580E+02 2.296E-03 2.299E-03 2.064E-03 2.625E-03 2.693E-03 2.487E-03 2.592E-03 2.788E-03 2.740E-03 2.699E-03 2.620E-03 2.666E-03 2.540E-03 2.566E-03 2.493E-03 2.254E-03 2.315E-03 2.207E-03 1.729E-03 1.235E-03 2.160E-03 2.286E-03 2.329E-03 2.294E-03 2.336E-03 2.277E-03 2.001E-03 1.471E-03 9.696E-04 1.080E-03 1.503E-03 1.062E-03 7.061E-04 6.328E-04 7.037E-04 8.430E-04 9.447E-04 9.118E-04 1.033E-03 1.029E-03 9.992E-04 8.769E-04 7.890E-04 7.568E-04 4.944E-04 4.291E-04 3.634E-04 3.438E-04 3.476E-04 2.788E-04 3.629E-04 3.774E-04 3.601E-04 3.306E-04 3.192E-04 3.101E-04 2.999E-04 2.980E-04 2.965E-04 3.265E-04 5.347E-04\n 1.600E+02 4.147E-03 3.919E-03 3.813E-03 3.548E-03 3.498E-03 3.447E-03 3.452E-03 3.089E-03 3.217E-03 3.198E-03 3.039E-03 2.806E-03 2.823E-03 2.717E-03 2.733E-03 2.463E-03 2.549E-03 2.420E-03 1.868E-03 1.326E-03 2.425E-03 2.536E-03 2.597E-03 2.533E-03 2.549E-03 2.485E-03 2.138E-03 1.545E-03 1.007E-03 1.097E-03 1.570E-03 1.099E-03 7.234E-04 6.429E-04 7.043E-04 8.474E-04 9.783E-04 9.246E-04 1.044E-03 1.037E-03 1.006E-03 8.838E-04 7.959E-04 7.630E-04 4.994E-04 4.332E-04 3.660E-04 3.448E-04 3.472E-04 2.756E-04 3.636E-04 3.794E-04 3.610E-04 3.304E-04 3.188E-04 3.096E-04 2.997E-04 2.984E-04 2.971E-04 3.279E-04 5.376E-04\n 1.620E+02 3.322E-03 3.531E-03 3.537E-03 3.209E-03 3.096E-03 3.370E-03 3.339E-03 2.902E-03 3.083E-03 3.124E-03 2.980E-03 2.768E-03 2.945E-03 2.728E-03 2.813E-03 2.616E-03 2.644E-03 2.608E-03 1.969E-03 1.468E-03 2.639E-03 2.723E-03 2.810E-03 2.720E-03 2.698E-03 2.642E-03 2.225E-03 1.586E-03 1.026E-03 1.134E-03 1.600E-03 1.114E-03 7.290E-04 6.418E-04 6.943E-04 8.667E-04 1.043E-03 9.567E-04 1.067E-03 1.051E-03 1.012E-03 8.823E-04 7.936E-04 7.611E-04 4.993E-04 4.334E-04 3.659E-04 3.437E-04 3.453E-04 2.733E-04 3.672E-04 3.840E-04 3.643E-04 3.318E-04 3.197E-04 3.102E-04 3.001E-04 2.990E-04 2.979E-04 3.293E-04 5.403E-04\n 1.640E+02 2.669E-03 2.863E-03 2.965E-03 2.680E-03 2.721E-03 2.893E-03 2.880E-03 2.664E-03 2.698E-03 2.768E-03 2.849E-03 2.713E-03 2.909E-03 2.597E-03 2.755E-03 2.775E-03 2.676E-03 2.748E-03 2.028E-03 1.707E-03 2.750E-03 2.821E-03 2.907E-03 2.800E-03 2.754E-03 2.709E-03 2.249E-03 1.585E-03 1.016E-03 1.215E-03 1.588E-03 1.100E-03 7.183E-04 6.269E-04 6.756E-04 9.117E-04 1.148E-03 1.020E-03 1.116E-03 1.081E-03 1.026E-03 8.764E-04 7.841E-04 7.530E-04 4.934E-04 4.291E-04 3.631E-04 3.410E-04 3.424E-04 2.725E-04 3.737E-04 3.913E-04 3.699E-04 3.347E-04 3.217E-04 3.115E-04 3.010E-04 2.999E-04 2.989E-04 3.307E-04 5.428E-04\n 1.660E+02 2.569E-03 2.562E-03 2.672E-03 2.419E-03 2.599E-03 2.582E-03 2.755E-03 2.545E-03 2.680E-03 2.756E-03 2.780E-03 2.669E-03 2.817E-03 2.573E-03 2.805E-03 2.769E-03 2.784E-03 2.765E-03 2.037E-03 2.069E-03 2.730E-03 2.838E-03 2.866E-03 2.743E-03 2.713E-03 2.678E-03 2.214E-03 1.534E-03 9.694E-04 1.357E-03 1.535E-03 1.054E-03 6.888E-04 5.985E-04 6.542E-04 9.921E-04 1.301E-03 1.123E-03 1.205E-03 1.142E-03 1.061E-03 8.740E-04 7.729E-04 7.437E-04 4.828E-04 4.212E-04 3.582E-04 3.375E-04 3.396E-04 2.735E-04 3.828E-04 4.008E-04 3.774E-04 3.389E-04 3.246E-04 3.137E-04 3.024E-04 3.009E-04 2.999E-04 3.319E-04 5.451E-04\n 1.680E+02 2.527E-03 2.635E-03 2.834E-03 2.651E-03 2.577E-03 2.754E-03 2.928E-03 2.598E-03 2.902E-03 2.984E-03 2.802E-03 2.625E-03 2.921E-03 2.797E-03 2.992E-03 2.667E-03 2.905E-03 2.694E-03 1.970E-03 2.561E-03 2.653E-03 2.798E-03 2.758E-03 2.601E-03 2.629E-03 2.606E-03 2.131E-03 1.427E-03 8.895E-04 1.575E-03 1.456E-03 9.810E-04 6.435E-04 5.618E-04 6.401E-04 1.113E-03 1.502E-03 1.272E-03 1.342E-03 1.245E-03 1.129E-03 8.861E-04 7.689E-04 7.414E-04 4.705E-04 4.118E-04 3.529E-04 3.348E-04 3.384E-04 2.764E-04 3.938E-04 4.118E-04 3.862E-04 3.440E-04 3.283E-04 3.163E-04 3.041E-04 3.021E-04 3.010E-04 3.331E-04 5.472E-04\n 1.700E+02 2.857E-03 2.865E-03 2.925E-03 2.919E-03 2.878E-03 3.085E-03 3.096E-03 2.966E-03 3.120E-03 3.204E-03 3.188E-03 3.048E-03 3.281E-03 3.094E-03 3.205E-03 2.845E-03 2.989E-03 2.638E-03 1.838E-03 3.172E-03 2.636E-03 2.721E-03 2.675E-03 2.467E-03 2.576E-03 2.576E-03 2.035E-03 1.286E-03 7.956E-04 1.868E-03 1.385E-03 8.998E-04 5.939E-04 5.281E-04 6.442E-04 1.274E-03 1.745E-03 1.463E-03 1.529E-03 1.395E-03 1.238E-03 9.229E-04 7.820E-04 7.551E-04 4.617E-04 4.048E-04 3.496E-04 3.348E-04 3.404E-04 2.810E-04 4.060E-04 4.237E-04 3.958E-04 3.497E-04 3.323E-04 3.192E-04 3.060E-04 3.032E-04 3.020E-04 3.342E-04 5.490E-04\n 1.720E+02 3.209E-03 3.339E-03 3.291E-03 3.366E-03 3.393E-03 3.569E-03 3.570E-03 3.576E-03 3.589E-03 3.674E-03 3.890E-03 3.686E-03 3.776E-03 3.457E-03 3.451E-03 3.144E-03 3.054E-03 2.692E-03 1.704E-03 3.889E-03 2.709E-03 2.670E-03 2.688E-03 2.426E-03 2.583E-03 2.658E-03 1.983E-03 1.164E-03 7.232E-04 2.224E-03 1.361E-03 8.430E-04 5.593E-04 5.111E-04 6.735E-04 1.464E-03 2.013E-03 1.683E-03 1.757E-03 1.586E-03 1.386E-03 9.888E-04 8.185E-04 7.903E-04 4.615E-04 4.043E-04 3.509E-04 3.386E-04 3.465E-04 2.868E-04 4.182E-04 4.353E-04 4.053E-04 3.553E-04 3.364E-04 3.222E-04 3.078E-04 3.043E-04 3.030E-04 3.351E-04 5.505E-04\n 1.740E+02 3.895E-03 4.262E-03 4.344E-03 4.318E-03 4.328E-03 4.644E-03 4.652E-03 4.363E-03 4.640E-03 4.705E-03 4.449E-03 4.313E-03 4.879E-03 4.128E-03 3.944E-03 3.400E-03 3.095E-03 2.803E-03 1.605E-03 4.695E-03 2.849E-03 2.708E-03 2.812E-03 2.501E-03 2.655E-03 2.867E-03 2.036E-03 1.124E-03 7.064E-04 2.612E-03 1.413E-03 8.408E-04 5.570E-04 5.200E-04 7.267E-04 1.663E-03 2.281E-03 1.912E-03 2.002E-03 1.798E-03 1.558E-03 1.079E-03 8.768E-04 8.452E-04 4.727E-04 4.123E-04 3.577E-04 3.464E-04 3.559E-04 2.930E-04 4.293E-04 4.457E-04 4.139E-04 3.605E-04 3.401E-04 3.248E-04 3.094E-04 3.052E-04 3.038E-04 3.358E-04 5.517E-04\n 1.760E+02 5.453E-03 5.945E-03 6.263E-03 5.953E-03 6.023E-03 6.311E-03 6.382E-03 5.845E-03 6.140E-03 6.114E-03 5.950E-03 5.349E-03 5.655E-03 4.854E-03 4.309E-03 3.432E-03 3.113E-03 2.781E-03 1.575E-03 5.577E-03 3.056E-03 2.865E-03 2.993E-03 2.665E-03 2.837E-03 3.164E-03 2.219E-03 1.204E-03 7.556E-04 2.979E-03 1.545E-03 9.003E-04 5.895E-04 5.515E-04 7.913E-04 1.842E-03 2.515E-03 2.116E-03 2.230E-03 2.000E-03 1.726E-03 1.176E-03 9.451E-04 9.085E-04 4.922E-04 4.268E-04 3.681E-04 3.561E-04 3.664E-04 2.984E-04 4.383E-04 4.540E-04 4.207E-04 3.646E-04 3.430E-04 3.269E-04 3.107E-04 3.059E-04 3.044E-04 3.364E-04 5.526E-04\n 1.780E+02 1.043E-02 1.050E-02 1.065E-02 9.413E-03 8.899E-03 8.917E-03 8.190E-03 7.086E-03 7.030E-03 6.756E-03 6.378E-03 5.687E-03 5.364E-03 4.736E-03 3.972E-03 3.134E-03 3.074E-03 2.652E-03 1.701E-03 6.427E-03 3.352E-03 3.170E-03 3.264E-03 2.934E-03 3.128E-03 3.507E-03 2.492E-03 1.366E-03 8.393E-04 3.252E-03 1.707E-03 9.887E-04 6.356E-04 5.879E-04 8.456E-04 1.969E-03 2.677E-03 2.260E-03 2.395E-03 2.149E-03 1.853E-03 1.254E-03 1.002E-03 9.609E-04 5.113E-04 4.411E-04 3.778E-04 3.643E-04 3.748E-04 3.021E-04 4.440E-04 4.593E-04 4.251E-04 3.672E-04 3.449E-04 3.283E-04 3.115E-04 3.063E-04 3.048E-04 3.367E-04 5.531E-04\n 1.800E+02 4.384E-03 4.197E-03 4.223E-03 4.054E-03 4.271E-03 4.339E-03 3.953E-03 3.926E-03 4.069E-03 4.117E-03 4.139E-03 4.003E-03 4.151E-03 4.141E-03 3.863E-03 3.253E-03 3.461E-03 2.934E-03 1.912E-03 6.837E-03 3.595E-03 3.437E-03 3.513E-03 3.170E-03 3.349E-03 3.722E-03 2.659E-03 1.465E-03 8.837E-04 3.354E-03 1.790E-03 1.034E-03 6.581E-04 6.042E-04 8.671E-04 2.014E-03 2.735E-03 2.312E-03 2.456E-03 2.204E-03 1.901E-03 1.284E-03 1.025E-03 9.815E-04 5.193E-04 4.471E-04 3.818E-04 3.675E-04 3.781E-04 3.034E-04 4.460E-04 4.611E-04 4.266E-04 3.681E-04 3.455E-04 3.288E-04 3.118E-04 3.065E-04 3.049E-04 3.368E-04 5.533E-04\n" }, { "path": "UTIL/inline_phot_preproc/refractive_indices/OPAC_water_clouds/waso00", "content": "SOLUTE\n! Optical Parmeters of water aerosol material\n! consists sulfates, nitrates, anominum and other \n! substances such as water-soluble organic material.\n! from file waso00 of\n! Hess, M. P. Koepke, and I. Schult, Optical properties of\n! aerosols and clouds: The software package OPAC, Bulletan of\n! the American Meteorological Society, Vol 79, No 5, \n! pp 831 - 844, May 1998. \n! OPAC is a downloadable data set of optical properties of \n! 10 aerosol components, 6 water clouds and 3 cirrus clouds \n! at UV, visible and IR wavelengths\n! www.lrz-muenchen.de/~uh234an/www/radaer/opac.htm\n! size distribution: lognormal\n! ------------------\n! minimum radius, [um]: 5.000E-03\n! maximum radius, [um]: 2.000E+01\n! sigma: 2.240E+00\n! Rmod (wet), [um]: 2.120E-02\n! Rmod (dry), [um]: 2.120E-02\n! optical parameters:\n! -------------------\n!wavelength ref.real ref.imag ext.coef sca.coef abs.coef si.sc.alb asym.par ext.nor \n! [um] [1/km] [1/km] [1/km]\n1.500E-01 1.530E+00 5.200E-02\n2.500E-01 1.530E+00 3.000E-02 9.520E-06 7.959E-06 1.561E-06 8.360E-01 0.690E+00 2.438E+00 \n3.000E-01 1.530E+00 8.000E-03 8.182E-06 7.767E-06 4.151E-07 9.493E-01 0.659E+00 2.095E+00 \n3.500E-01 1.530E+00 5.000E-03 7.003E-06 6.780E-06 2.227E-07 9.682E-01 0.647E+00 1.793E+00 \n4.000E-01 1.530E+00 5.000E-03 6.011E-06 5.822E-06 1.892E-07 9.685E-01 0.639E+00 1.539E+00 \n4.500E-01 1.530E+00 5.000E-03 5.180E-06 5.017E-06 1.631E-07 9.685E-01 0.630E+00 1.326E+00 \n5.000E-01 1.530E+00 5.000E-03 4.484E-06 4.341E-06 1.425E-07 9.682E-01 0.621E+00 1.148E+00 \n5.500E-01 1.530E+00 6.000E-03 3.905E-06 3.755E-06 1.502E-07 9.615E-01 0.614E+00 1.000E+00 \n6.000E-01 1.530E+00 6.000E-03 3.413E-06 3.279E-06 1.339E-07 9.608E-01 0.605E+00 8.739E-01 \n6.500E-01 1.530E+00 7.000E-03 3.003E-06 2.863E-06 1.398E-07 9.535E-01 0.597E+00 7.689E-01 \n7.000E-01 1.530E+00 7.000E-03 2.649E-06 2.522E-06 1.265E-07 9.522E-01 0.589E+00 6.782E-01 \n7.500E-01 1.530E+00 8.500E-03 2.356E-06 2.217E-06 1.392E-07 9.409E-01 0.582E+00 6.032E-01 \n8.000E-01 1.520E+00 1.000E-02 2.050E-06 1.901E-06 1.485E-07 9.276E-01 0.578E+00 5.249E-01 \n9.000E-01 1.520E+00 1.300E-02 1.660E-06 1.497E-06 1.633E-07 9.016E-01 0.563E+00 4.251E-01 \n1.000E+00 1.520E+00 1.550E-02 1.366E-06 1.198E-06 1.680E-07 8.770E-01 0.548E+00 3.497E-01 \n1.250E+00 1.510E+00 1.900E-02 8.558E-07 7.042E-07 1.515E-07 8.229E-01 0.516E+00 2.191E-01 \n1.500E+00 1.510E+00 2.250E-02 5.937E-07 4.530E-07 1.406E-07 7.631E-01 0.485E+00 1.520E-01 \n1.750E+00 1.470E+00 1.750E-02 3.587E-07 2.684E-07 9.036E-08 7.481E-01 0.461E+00 9.186E-02 \n2.000E+00 1.420E+00 8.000E-03 1.913E-07 1.558E-07 3.550E-08 8.144E-01 0.440E+00 4.897E-02 \n2.500E+00 1.420E+00 1.200E-02 1.228E-07 8.215E-08 4.070E-08 6.687E-01 0.392E+00 3.146E-02 \n3.000E+00 1.420E+00 2.200E-02 1.072E-07 4.702E-08 6.021E-08 4.385E-01 0.350E+00 2.746E-02 \n3.200E+00 1.430E+00 8.000E-03 6.160E-08 4.128E-08 2.032E-08 6.701E-01 0.339E+00 1.577E-02 \n3.390E+00 1.430E+00 7.050E-03 5.132E-08 3.455E-08 1.677E-08 6.732E-01 0.327E+00 1.314E-02 \n3.500E+00 1.450E+00 5.000E-03 4.559E-08 3.422E-08 1.137E-08 7.506E-01 0.322E+00 1.167E-02 \n3.750E+00 1.452E+00 4.000E-03 3.617E-08 2.776E-08 8.408E-09 7.675E-01 0.308E+00 9.260E-03 \n4.000E+00 1.455E+00 5.000E-03 3.255E-08 2.280E-08 9.752E-09 7.004E-01 0.294E+00 8.335E-03 \n4.500E+00 1.460E+00 1.300E-02 3.783E-08 1.567E-08 2.216E-08 4.141E-01 0.269E+00 9.687E-03 \n5.000E+00 1.450E+00 1.200E-02 2.892E-08 1.057E-08 1.834E-08 3.656E-01 0.248E+00 7.404E-03 \n5.500E+00 1.440E+00 1.800E-02 3.225E-08 7.284E-09 2.497E-08 2.258E-01 0.227E+00 8.258E-03 \n6.000E+00 1.410E+00 2.300E-02 3.431E-08 4.698E-09 2.962E-08 1.369E-01 0.208E+00 8.786E-03 \n6.200E+00 1.430E+00 2.700E-02 3.774E-08 4.581E-09 3.316E-08 1.214E-01 0.203E+00 9.664E-03 \n6.500E+00 1.460E+00 3.300E-02 4.221E-08 4.400E-09 3.781E-08 1.042E-01 0.196E+00 1.081E-02 \n7.200E+00 1.400E+00 7.000E-02 7.717E-08 2.353E-09 7.482E-08 3.049E-02 0.168E+00 1.976E-02 \n7.900E+00 1.200E+00 6.500E-02 7.144E-08 4.721E-10 7.097E-08 6.609E-03 0.139E+00 1.829E-02 \n8.200E+00 1.010E+00 1.000E-01 1.140E-07 9.404E-11 1.139E-07 8.250E-04 0.116E+00 2.919E-02 \n8.500E+00 1.300E+00 2.150E-01 2.071E-07 1.042E-09 2.061E-07 5.033E-03 0.122E+00 5.303E-02 \n8.700E+00 2.400E+00 2.900E-01 1.279E-07 9.050E-09 1.188E-07 7.077E-02 0.188E+00 3.274E-02 \n9.000E+00 2.560E+00 3.700E-01 1.377E-07 9.054E-09 1.286E-07 6.576E-02 0.182E+00 3.525E-02 \n9.200E+00 2.200E+00 4.200E-01 1.918E-07 6.135E-09 1.857E-07 3.198E-02 0.154E+00 4.912E-02 \n9.500E+00 1.950E+00 1.600E-01 8.880E-08 3.846E-09 8.496E-08 4.331E-02 0.160E+00 2.274E-02 \n9.800E+00 1.870E+00 9.500E-02 5.511E-08 3.010E-09 5.210E-08 5.462E-02 0.156E+00 1.411E-02 \n1.000E+01 1.820E+00 9.000E-02 5.279E-08 2.537E-09 5.025E-08 4.806E-02 0.149E+00 1.352E-02 \n1.060E+01 1.760E+00 7.000E-02 4.036E-08 1.804E-09 3.855E-08 4.470E-02 0.138E+00 1.033E-02 \n1.100E+01 1.720E+00 5.000E-02 2.878E-08 1.437E-09 2.734E-08 4.994E-02 0.131E+00 7.369E-03 \n1.150E+01 1.670E+00 4.700E-02 2.659E-08 1.074E-09 2.551E-08 4.040E-02 0.122E+00 6.808E-03 \n1.250E+01 1.620E+00 5.300E-02 2.812E-08 6.833E-10 2.743E-08 2.430E-02 0.107E+00 7.199E-03 \n1.300E+01 1.620E+00 5.500E-02 2.793E-08 5.882E-10 2.734E-08 2.106E-02 0.102E+00 7.152E-03 \n1.400E+01 1.560E+00 7.300E-02 3.558E-08 3.718E-10 3.521E-08 1.045E-02 0.887E-01 9.110E-03 \n1.480E+01 1.440E+00 1.000E-01 4.994E-08 2.002E-10 4.974E-08 4.009E-03 0.752E-01 1.279E-02 \n1.500E+01 1.420E+00 2.000E-01 9.969E-08 2.007E-10 9.949E-08 2.013E-03 0.691E-01 2.553E-02 \n1.640E+01 1.750E+00 1.600E-01 5.689E-08 3.357E-10 5.656E-08 5.901E-03 0.783E-01 1.457E-02 \n1.720E+01 2.080E+00 2.420E-01 6.247E-08 4.835E-10 6.199E-08 7.740E-03 0.872E-01 1.600E-02 \n1.800E+01 1.980E+00 1.800E-01 4.829E-08 3.491E-10 4.794E-08 7.229E-03 0.802E-01 1.236E-02 \n1.850E+01 1.850E+00 1.700E-01 4.926E-08 2.544E-10 4.900E-08 5.165E-03 0.712E-01 1.261E-02 \n2.000E+01 2.120E+00 2.200E-01 4.707E-08 2.786E-10 4.679E-08 5.919E-03 0.749E-01 1.205E-02 \n2.130E+01 2.060E+00 2.300E-01 4.839E-08 2.023E-10 4.819E-08 4.181E-03 0.658E-01 1.239E-02 \n2.250E+01 2.000E+00 2.400E-01 5.011E-08 1.512E-10 4.996E-08 3.017E-03 0.582E-01 1.283E-02 \n2.500E+01 1.880E+00 2.800E-01 5.784E-08 8.573E-11 5.775E-08 1.482E-03 0.451E-01 1.481E-02 \n2.790E+01 1.840E+00 2.900E-01 5.537E-08 5.256E-11 5.532E-08 9.493E-04 0.370E-01 1.418E-02 \n3.000E+01 1.820E+00 3.000E-01 5.409E-08 3.848E-11 5.405E-08 7.114E-04 0.325E-01 1.385E-02 \n3.500E+01 1.920E+00 4.000E-01 5.638E-08 2.578E-11 5.635E-08 4.573E-04 0.262E-01 1.444E-02 \n4.000E+01 1.860E+00 5.000E-01 6.417E-08 1.545E-11 6.416E-08 2.407E-04 0.195E-01 1.643E-02 \n" }, { "path": "UTIL/inline_phot_preproc/refractive_indices/OPAC_water_clouds/wc.asy", "content": "! Parameterisation of asymmetry factor, g = a * r**b + c\n! 2.5 micron < r < 12.5 micron\n 2.5 12.5\n! lambda(micron) a b c \n 150.000 9.87E-04 1.99E+00 -6.72E-04\n 100.000 7.53E-03 1.48E+00 -2.62E-02\n 80.000 2.47E-02 1.15E+00 -7.20E-02\n 60.000 7.07E-02 8.84E-01 -1.65E-01\n 50.000 2.73E-01 5.40E-01 -4.70E-01\n 40.000 -7.79E+01 -6.00E-03 7.75E+01\n 32.000 -2.27E+00 -5.48E-01 1.32E+00\n 25.000 -2.38E+00 -9.36E-01 1.03E+00\n 20.000 -2.51E+00 -1.15E+00 9.71E-01\n 19.000 -2.53E+00 -1.21E+00 9.61E-01\n 18.000 -2.56E+00 -1.26E+00 9.55E-01\n 17.500 -2.57E+00 -1.29E+00 9.53E-01\n 17.000 -2.58E+00 -1.32E+00 9.52E-01\n 16.500 -2.57E+00 -1.35E+00 9.51E-01\n 15.500 -2.56E+00 -1.40E+00 9.51E-01\n 15.000 -2.53E+00 -1.42E+00 9.52E-01\n 14.500 -2.51E+00 -1.44E+00 9.54E-01\n 14.000 -2.46E+00 -1.46E+00 9.57E-01\n 13.500 -2.40E+00 -1.48E+00 9.63E-01\n 12.500 -2.24E+00 -1.50E+00 9.75E-01\n 11.500 -2.02E+00 -1.50E+00 9.84E-01\n 11.000 -1.85E+00 -1.50E+00 9.82E-01\n 10.500 -1.76E+00 -1.55E+00 9.72E-01\n 10.000 -1.84E+00 -1.71E+00 9.47E-01\n 9.600 -3.24E+00 -2.44E+00 8.84E-01\n 9.000 -2.30E+00 -2.11E+00 9.20E-01\n 8.600 -3.17E+00 -2.50E+00 9.05E-01\n 8.000 -6.30E+00 -3.21E+00 8.89E-01\n 7.600 -1.34E+01 -3.92E+00 8.80E-01\n 7.300 -2.79E+01 -4.58E+00 8.74E-01\n 7.100 -4.01E+01 -4.93E+00 8.71E-01\n 7.000 -4.02E+01 -5.00E+00 8.69E-01\n 6.700 -1.88E+01 -4.55E+00 8.67E-01\n 6.500 -6.21E-01 -1.90E+00 8.83E-01\n 6.300 -3.84E-01 -2.18E-01 1.13E+00\n 6.200 -3.36E-01 -4.00E-01 1.05E+00\n 6.100 -4.23E-01 -1.04E+00 9.67E-01\n 6.000 -5.59E-01 -1.36E+00 9.59E-01\n 5.900 -9.70E-01 -2.10E+00 9.23E-01\n 5.700 -5.23E+01 -6.00E+00 8.75E-01\n 5.500 -4.37E-04 1.76E+00 8.67E-01\n 5.400 -4.16E-03 9.86E-01 8.76E-01\n 5.300 -6.52E-01 4.00E-02 1.55E+00\n 5.100 2.80E-01 -1.51E+00 8.17E-01\n 4.900 1.72E+00 -3.05E+00 8.24E-01\n 4.700 1.75E+01 -4.88E+00 8.27E-01\n 4.500 7.39E-09 6.00E+00 8.21E-01\n 4.300 9.54E-09 6.00E+00 8.04E-01\n 4.100 1.25E-08 6.00E+00 7.88E-01\n 3.900 3.90E-08 5.68E+00 7.74E-01\n 3.690 1.80E-03 1.67E+00 7.56E-01\n 3.145 -2.85E-01 -6.56E-01 1.01E+00\n 2.618 4.06E-08 5.44E+00 8.61E-01\n 2.247 5.98E-03 1.10E+00 7.66E-01\n 1.855 -3.58E-01 -6.40E-01 9.25E-01\n 1.587 -5.82E-01 -1.39E+00 8.70E-01\n 1.393 -4.61E-01 -1.31E+00 8.71E-01\n 1.232 -3.74E-01 -1.25E+00 8.71E-01\n 1.142 -3.14E-01 -1.20E+00 8.71E-01\n 1.046 -2.13E-01 -8.00E-01 8.87E-01\n 0.929 -1.86E-01 -8.24E-01 8.84E-01\n 0.821 -1.71E-01 -8.26E-01 8.83E-01\n 0.766 -2.31E-01 -1.23E+00 8.75E-01\n 0.719 -1.41E-01 -6.94E-01 8.89E-01\n 0.664 -1.37E-01 -6.76E-01 8.90E-01\n 0.603 -1.24E-01 -6.02E-01 8.94E-01\n 0.544 -1.24E-01 -7.82E-01 8.85E-01\n 0.499 -1.15E-01 -7.56E-01 8.85E-01\n 0.459 -1.09E-01 -7.24E-01 8.86E-01\n 0.419 -9.98E-02 -8.00E-01 8.82E-01\n 0.379 -6.75E-02 -6.12E-01 8.82E-01\n 0.344 -8.29E-02 -6.88E-01 8.84E-01\n 0.314 -8.06E-02 -7.62E-01 8.83E-01\n 0.290 1.11E-01 9.40E-02 7.30E-01\n!\n! 12.5 micron < r < 30.0 micron\n 12.5 30.0\n! lambda(micron) a b c\n 150.000 1.89E+01 1.80E-02 -1.97E+01\n 100.000 -3.12E+00 -2.98E-01 1.75E+00\n 80.000 -4.07E+00 -6.80E-01 1.10E+00\n 60.000 -7.52E+00 -1.10E+00 9.47E-01\n 50.000 -8.99E+00 -1.29E+00 9.31E-01\n 40.000 -6.69E+00 -1.29E+00 9.38E-01\n 32.000 -3.79E+00 -1.16E+00 9.49E-01\n 25.000 -3.29E+00 -1.24E+00 9.44E-01\n 20.000 -3.39E+00 -1.37E+00 9.37E-01\n 19.000 -3.36E+00 -1.42E+00 9.35E-01\n 18.000 -3.25E+00 -1.44E+00 9.35E-01\n 17.500 -3.16E+00 -1.44E+00 9.36E-01\n 17.000 -3.06E+00 -1.45E+00 9.37E-01\n 16.500 -2.92E+00 -1.46E+00 9.39E-01\n 15.500 -2.73E+00 -1.46E+00 9.43E-01\n 15.000 -2.62E+00 -1.46E+00 9.46E-01\n 14.500 -2.51E+00 -1.47E+00 9.50E-01\n 14.000 -2.41E+00 -1.47E+00 9.54E-01\n 13.500 -2.30E+00 -1.48E+00 9.61E-01\n 12.500 -2.12E+00 -1.48E+00 9.74E-01\n 11.500 -1.78E+00 -1.46E+00 9.83E-01\n 11.000 -1.16E+00 -1.33E+00 9.82E-01\n 10.500 -2.24E-01 -5.46E-01 9.94E-01\n 10.000 8.52E-05 1.74E+00 9.17E-01\n 9.600 8.45E-03 8.12E-01 8.04E-01\n 9.000 4.55E-06 2.68E+00 9.00E-01\n 8.600 1.09E-04 1.88E+00 8.78E-01\n 8.000 3.98E-03 9.94E-01 8.26E-01\n 7.600 9.07E-02 3.50E-01 6.46E-01\n 7.300 -1.43E+00 -8.80E-02 2.01E+00\n 7.100 -8.21E-01 -4.06E-01 1.15E+00\n 7.000 -1.15E+00 -7.08E-01 1.05E+00\n 6.700 -2.49E+00 -1.14E+00 1.00E+00\n 6.500 -5.65E+00 -1.59E+00 9.82E-01\n 6.300 -1.79E+01 -2.26E+00 9.69E-01\n 6.200 -1.78E+01 -2.39E+00 9.67E-01\n 6.100 -5.93E+00 -2.02E+00 9.73E-01\n 6.000 -2.36E+00 -1.63E+00 9.79E-01\n 5.900 -1.75E+00 -1.24E+00 9.93E-01\n 5.700 -1.14E+00 -7.46E-01 1.04E+00\n 5.500 -1.15E+00 -6.66E-01 1.05E+00\n 5.400 -1.41E+00 -7.94E-01 1.02E+00\n 5.300 -1.77E+00 -9.28E-01 1.00E+00\n 5.100 -2.20E+00 -1.06E+00 9.88E-01\n 4.900 -2.36E+00 -1.11E+00 9.84E-01\n 4.700 -2.34E+00 -1.13E+00 9.84E-01\n 4.500 -1.94E+00 -1.07E+00 9.84E-01\n 4.300 -1.23E+00 -8.54E-01 9.84E-01\n 4.100 -8.16E-01 -6.62E-01 9.86E-01\n 3.900 -6.01E-01 -4.78E-01 1.01E+00\n 3.690 -6.08E-01 -6.50E-01 9.87E-01\n 3.145 -3.20E+00 -2.16E+00 9.65E-01\n 2.618 -6.56E-01 -8.78E-01 9.63E-01\n 2.247 -3.01E-01 -4.30E-01 9.58E-01\n 1.855 -2.51E-01 -5.02E-01 9.23E-01\n 1.587 -2.38E-01 -5.96E-01 9.06E-01\n 1.393 -2.19E-01 -6.34E-01 8.99E-01\n 1.232 -2.06E-01 -6.68E-01 8.94E-01\n 1.142 -2.08E-01 -7.10E-01 8.91E-01\n 1.046 -2.12E-01 -7.82E-01 8.88E-01\n 0.929 -1.74E-01 -7.24E-01 8.88E-01\n 0.821 -1.67E-01 -7.44E-01 8.88E-01\n 0.766 -1.15E-01 -6.28E-01 8.89E-01\n 0.719 -1.57E-01 -7.82E-01 8.86E-01\n 0.664 -1.55E-01 -8.16E-01 8.85E-01\n 0.603 -1.33E-01 -7.66E-01 8.86E-01\n 0.544 -1.20E-01 -7.48E-01 8.86E-01\n 0.499 -1.09E-01 -7.48E-01 8.85E-01\n 0.459 -1.11E-01 -7.88E-01 8.84E-01\n 0.419 -1.02E-01 -7.80E-01 8.83E-01\n 0.379 -1.63E-01 -1.02E+00 8.81E-01\n 0.344 -9.08E-02 -8.06E-01 8.81E-01\n 0.314 -8.43E-02 -8.06E-01 8.82E-01\n 0.290 -3.15E-01 -1.47E+00 8.78E-01\n!\n! 30.0 micron < r < 60.0 micron\n 30.0 60.0\n! lambda(micron) a b c\n 150.000 -4.38E+00 -5.46E-01 1.14E+00\n 100.000 -1.07E+01 -1.03E+00 9.32E-01\n 80.000 -1.66E+01 -1.29E+00 9.02E-01\n 60.000 -2.02E+01 -1.48E+00 9.00E-01\n 50.000 -1.59E+01 -1.49E+00 9.17E-01\n 40.000 -1.24E+01 -1.50E+00 9.32E-01\n 32.000 -1.57E+01 -1.67E+00 9.31E-01\n 25.000 -1.20E+01 -1.71E+00 9.30E-01\n 20.000 -6.63E+00 -1.62E+00 9.31E-01\n 19.000 -5.26E+00 -1.58E+00 9.32E-01\n 18.000 -4.53E+00 -1.56E+00 9.33E-01\n 17.500 -4.15E+00 -1.54E+00 9.34E-01\n 17.000 -3.84E+00 -1.53E+00 9.36E-01\n 16.500 -3.49E+00 -1.52E+00 9.39E-01\n 15.500 -3.10E+00 -1.50E+00 9.43E-01\n 15.000 -2.89E+00 -1.49E+00 9.46E-01\n 14.500 -2.69E+00 -1.48E+00 9.50E-01\n 14.000 -2.51E+00 -1.48E+00 9.54E-01\n 13.500 -2.32E+00 -1.47E+00 9.61E-01\n 12.500 -2.06E+00 -1.46E+00 9.75E-01\n 11.500 -1.27E+00 -1.31E+00 9.86E-01\n 11.000 -4.65E-01 -8.54E-01 9.94E-01\n 10.500 -7.39E-01 -8.40E-01 1.00E+00\n 10.000 -7.45E+00 -1.53E+00 9.88E-01\n 9.600 -1.01E+02 -2.33E+00 9.72E-01\n 9.000 -6.16E+01 -2.15E+00 9.81E-01\n 8.600 -9.10E+01 -2.28E+00 9.78E-01\n 8.000 -9.01E+01 -2.30E+00 9.76E-01\n 7.600 -8.13E+01 -2.30E+00 9.75E-01\n 7.300 -7.32E+01 -2.29E+00 9.74E-01\n 7.100 -7.41E+01 -2.33E+00 9.73E-01\n 7.000 -7.77E+01 -2.38E+00 9.72E-01\n 6.700 -8.29E+01 -2.46E+00 9.71E-01\n 6.500 -7.50E+01 -2.55E+00 9.69E-01\n 6.300 -1.63E+01 -2.30E+00 9.67E-01\n 6.200 -3.95E+00 -1.94E+00 9.68E-01\n 6.100 -3.65E+00 -1.92E+00 9.72E-01\n 6.000 -7.59E+00 -2.13E+00 9.75E-01\n 5.900 -7.22E+01 -2.64E+00 9.76E-01\n 5.700 -1.64E+01 -1.86E+00 9.78E-01\n 5.500 -2.99E+00 -1.14E+00 9.88E-01\n 5.400 -2.68E+00 -1.10E+00 9.88E-01\n 5.300 -2.82E+00 -1.13E+00 9.87E-01\n 5.100 -3.20E+00 -1.19E+00 9.84E-01\n 4.900 -3.80E+00 -1.27E+00 9.82E-01\n 4.700 -4.67E+00 -1.36E+00 9.80E-01\n 4.500 -3.76E+00 -1.28E+00 9.81E-01\n 4.300 -1.50E+00 -8.82E-01 9.91E-01\n 4.100 -8.09E-01 -5.84E-01 1.01E+00\n 3.900 -6.42E-01 -4.50E-01 1.03E+00\n 3.690 -8.86E-01 -8.10E-01 9.76E-01\n 3.145 -1.65E+00 -1.94E+00 9.65E-01\n 2.618 -3.87E-01 -5.70E-01 9.86E-01\n 2.247 -2.94E-01 -2.68E-01 1.01E+00\n 1.855 -2.31E-01 -4.10E-01 9.35E-01\n 1.587 -2.20E-01 -5.34E-01 9.10E-01\n 1.393 -2.31E-01 -6.54E-01 8.98E-01\n 1.232 -2.84E-01 -8.16E-01 8.90E-01\n 1.142 -2.84E-01 -8.62E-01 8.88E-01\n 1.046 -2.74E-01 -8.86E-01 8.87E-01\n 0.929 -2.89E-01 -9.42E-01 8.85E-01\n 0.821 -2.58E-01 -9.36E-01 8.85E-01\n 0.766 -2.55E-01 -9.74E-01 8.84E-01\n 0.719 -2.14E-01 -9.16E-01 8.85E-01\n 0.664 -2.03E-01 -9.20E-01 8.84E-01\n 0.603 -2.05E-01 -9.52E-01 8.84E-01\n 0.544 -2.07E-01 -9.84E-01 8.84E-01\n 0.499 -1.84E-01 -9.66E-01 8.83E-01\n 0.459 -1.77E-01 -9.80E-01 8.83E-01\n 0.419 -1.77E-01 -1.01E+00 8.82E-01\n 0.379 -2.64E-01 -1.18E+00 8.80E-01\n 0.344 -1.50E-01 -1.01E+00 8.80E-01\n 0.314 -1.30E-01 -9.86E-01 8.81E-01\n 0.290 -9.92E-02 -9.08E-01 8.80E-01\n" }, { "path": "UTIL/inline_phot_preproc/refractive_indices/OPAC_water_clouds/wc.ext", "content": "! Parameterisation of extinction coefficient, b_ext = a * r**b + c\n! 2.5 micron < r < 12.5 micron\n 2.5 12.5\n! lambda(micron) a b c \n 150.000 3.93E-02 2.35E+00 1.90E+01\n 100.000 1.71E+00 1.36E+00 2.87E+01\n 80.000 8.63E+01 2.92E-01 -6.76E+01\n 60.000 -4.00E+02 -1.60E+00 1.39E+02\n 50.000 -3.93E+03 -3.69E+00 1.35E+02\n 40.000 -2.93E+04 -5.18E+00 1.44E+02\n 32.000 -7.27E-06 6.00E+00 1.76E+02\n 25.000 -1.22E-01 2.61E+00 2.37E+02\n 20.000 -9.86E+00 1.16E+00 3.30E+02\n 19.000 -3.52E+01 7.86E-01 4.02E+02\n 18.000 -7.98E+01 5.70E-01 4.81E+02\n 17.500 -1.23E+02 4.66E-01 5.41E+02\n 17.000 -1.82E+02 3.78E-01 6.15E+02\n 16.500 -2.83E+02 2.90E-01 7.28E+02\n 15.500 -4.56E+02 2.08E-01 9.07E+02\n 15.000 -6.18E+02 1.64E-01 1.07E+03\n 14.500 -7.47E+02 1.38E-01 1.19E+03\n 14.000 -7.78E+02 1.28E-01 1.20E+03\n 13.500 -4.90E+02 1.66E-01 8.69E+02\n 12.500 -8.34E+01 4.12E-01 3.51E+02\n 11.500 -1.79E+00 1.36E+00 1.66E+02\n 11.000 -3.88E-05 5.24E+00 1.40E+02\n 10.500 -5.91E+04 -6.00E+00 1.55E+02\n 10.000 -9.91E-06 6.00E+00 1.95E+02\n 9.600 -7.62E-02 3.00E+00 3.02E+02\n 9.000 -2.60E-04 5.06E+00 2.48E+02\n 8.600 -1.29E-02 3.65E+00 2.84E+02\n 8.000 -2.89E-01 2.57E+00 3.35E+02\n 7.600 -1.97E+00 1.91E+00 3.87E+02\n 7.300 -7.13E+00 1.49E+00 4.43E+02\n 7.100 -1.76E+01 1.20E+00 4.99E+02\n 7.000 -4.36E+01 9.24E-01 5.82E+02\n 6.700 -1.87E+02 5.32E-01 8.45E+02\n 6.500 -1.14E+03 1.86E-01 1.95E+03\n 6.300 2.41E+03 -1.86E-01 -1.38E+03\n 6.200 1.95E+03 -2.50E-01 -9.02E+02\n 6.100 -3.15E+04 8.00E-03 3.23E+04\n 6.000 -4.93E+02 2.70E-01 1.11E+03\n 5.900 -1.84E+02 5.00E-01 7.83E+02\n 5.700 -2.61E+02 4.58E-01 9.55E+02\n 5.500 -1.10E+03 2.04E-01 1.96E+03\n 5.400 -4.31E+04 8.00E-03 4.41E+04\n 5.300 2.52E+03 -2.26E-01 -1.30E+03\n 5.100 2.03E+03 -5.46E-01 -3.88E+02\n 4.900 2.29E+03 -7.86E-01 -1.89E+02\n 4.700 2.69E+03 -9.84E-01 -9.66E+01\n 4.500 3.32E+03 -1.19E+00 -3.31E+01\n 4.300 4.30E+03 -1.42E+00 1.52E+01\n 4.100 5.42E+03 -1.63E+00 4.78E+01\n 3.900 6.40E+03 -1.79E+00 7.03E+01\n 3.690 5.29E+03 -1.73E+00 7.34E+01\n 3.145 2.71E+03 -1.27E+00 2.35E+01\n 2.618 4.56E+03 -1.61E+00 5.74E+01\n 2.247 3.26E+03 -1.46E+00 5.42E+01\n 1.855 2.15E+03 -1.15E+00 1.42E+01\n 1.587 2.01E+03 -1.11E+00 8.80E+00\n 1.393 1.98E+03 -1.11E+00 7.61E+00\n 1.232 1.96E+03 -1.11E+00 9.29E+00\n 1.142 1.94E+03 -1.11E+00 1.01E+01\n 1.046 1.91E+03 -1.10E+00 7.51E+00\n 0.929 1.87E+03 -1.09E+00 8.41E+00\n 0.821 1.86E+03 -1.09E+00 8.61E+00\n 0.766 1.84E+03 -1.09E+00 8.81E+00\n 0.719 1.81E+03 -1.08E+00 6.85E+00\n 0.664 1.79E+03 -1.07E+00 5.98E+00\n 0.603 1.76E+03 -1.06E+00 5.01E+00\n 0.544 1.75E+03 -1.07E+00 5.95E+00\n 0.499 1.73E+03 -1.06E+00 5.13E+00\n 0.459 1.72E+03 -1.06E+00 4.99E+00\n 0.419 1.70E+03 -1.05E+00 4.49E+00\n 0.379 1.68E+03 -1.05E+00 4.26E+00\n 0.344 1.67E+03 -1.04E+00 3.49E+00\n 0.314 1.67E+03 -1.04E+00 3.83E+00\n 0.290 1.63E+03 -1.03E+00 7.66E-01\n!\n! 12.5 micron < r < 30.0 micron\n 12.5 30.0\n! lambda(micron) a b c\n 150.000 -4.49E+03 -1.84E+00 7.12E+01\n 100.000 -1.90E-07 5.41E+00 8.89E+01\n 80.000 -4.07E-01 1.48E+00 1.32E+02\n 60.000 -9.44E+01 3.06E-01 3.34E+02\n 50.000 -7.38E+02 8.00E-02 1.03E+03\n 40.000 1.19E+03 -9.20E-02 -8.08E+02\n 32.000 9.38E+02 -5.44E-01 -8.44E+01\n 25.000 1.69E+03 -8.92E-01 -2.02E+01\n 20.000 2.03E+03 -1.00E+00 -7.63E+00\n 19.000 2.02E+03 -1.01E+00 -6.14E+00\n 18.000 1.95E+03 -1.00E+00 -6.07E+00\n 17.500 1.89E+03 -9.94E-01 -6.18E+00\n 17.000 1.82E+03 -9.82E-01 -6.67E+00\n 16.500 1.73E+03 -9.66E-01 -7.26E+00\n 15.500 1.59E+03 -9.38E-01 -8.61E+00\n 15.000 1.50E+03 -9.18E-01 -9.58E+00\n 14.500 1.40E+03 -8.94E-01 -1.08E+01\n 14.000 1.28E+03 -8.62E-01 -1.27E+01\n 13.500 1.07E+03 -7.94E-01 -1.73E+01\n 12.500 7.11E+02 -6.06E-01 -3.72E+01\n 11.500 5.38E+02 -2.88E-01 -1.48E+02\n 11.000 7.94E+02 -1.48E-01 -4.23E+02\n 10.500 8.17E+02 -4.24E-01 -1.35E+02\n 10.000 2.37E+03 -1.02E+00 -1.69E+01\n 9.600 7.52E+03 -1.55E+00 1.91E+01\n 9.000 8.53E+03 -1.59E+00 1.83E+01\n 8.600 9.63E+03 -1.66E+00 2.26E+01\n 8.000 8.00E+03 -1.60E+00 2.25E+01\n 7.600 5.98E+03 -1.49E+00 1.96E+01\n 7.300 4.74E+03 -1.40E+00 1.65E+01\n 7.100 4.06E+03 -1.34E+00 1.40E+01\n 7.000 3.56E+03 -1.29E+00 1.16E+01\n 6.700 3.03E+03 -1.22E+00 8.35E+00\n 6.500 2.76E+03 -1.18E+00 6.34E+00\n 6.300 2.62E+03 -1.16E+00 5.36E+00\n 6.200 2.61E+03 -1.16E+00 5.49E+00\n 6.100 2.74E+03 -1.19E+00 6.86E+00\n 6.000 2.92E+03 -1.22E+00 8.24E+00\n 5.900 3.12E+03 -1.24E+00 9.51E+00\n 5.700 2.76E+03 -1.19E+00 6.82E+00\n 5.500 2.41E+03 -1.13E+00 3.47E+00\n 5.400 2.34E+03 -1.12E+00 2.60E+00\n 5.300 2.30E+03 -1.11E+00 2.25E+00\n 5.100 2.28E+03 -1.11E+00 2.19E+00\n 4.900 2.28E+03 -1.11E+00 2.42E+00\n 4.700 2.28E+03 -1.11E+00 2.66E+00\n 4.500 2.28E+03 -1.11E+00 2.91E+00\n 4.300 2.28E+03 -1.12E+00 3.16E+00\n 4.100 2.26E+03 -1.12E+00 3.29E+00\n 3.900 2.24E+03 -1.11E+00 3.32E+00\n 3.690 2.17E+03 -1.10E+00 3.01E+00\n 3.145 2.02E+03 -1.08E+00 2.24E+00\n 2.618 2.05E+03 -1.09E+00 2.66E+00\n 2.247 1.99E+03 -1.08E+00 2.54E+00\n 1.855 1.91E+03 -1.07E+00 1.96E+00\n 1.587 1.87E+03 -1.06E+00 1.93E+00\n 1.393 1.83E+03 -1.06E+00 1.63E+00\n 1.232 1.80E+03 -1.05E+00 1.50E+00\n 1.142 1.78E+03 -1.05E+00 1.32E+00\n 1.046 1.77E+03 -1.05E+00 1.46E+00\n 0.929 1.74E+03 -1.04E+00 1.19E+00\n 0.821 1.73E+03 -1.04E+00 1.16E+00\n 0.766 1.71E+03 -1.04E+00 1.01E+00\n 0.719 1.70E+03 -1.04E+00 1.04E+00\n 0.664 1.69E+03 -1.03E+00 9.89E-01\n 0.603 1.68E+03 -1.03E+00 9.28E-01\n 0.544 1.67E+03 -1.03E+00 8.73E-01\n 0.499 1.66E+03 -1.03E+00 8.13E-01\n 0.459 1.65E+03 -1.03E+00 7.23E-01\n 0.419 1.64E+03 -1.02E+00 6.44E-01\n 0.379 1.64E+03 -1.03E+00 8.33E-01\n 0.344 1.62E+03 -1.02E+00 6.34E-01\n 0.314 1.61E+03 -1.02E+00 5.44E-01\n 0.290 1.63E+03 -1.03E+00 9.90E-01\n!\n! 30.0 micron < r < 60.0 micron\n 30.0 60.0\n! lambda(micron) a b c\n 150.000 -2.26E-01 1.29E+00 8.10E+01\n 100.000 6.85E+02 -4.68E-01 -6.75E+01\n 80.000 1.36E+03 -7.90E-01 -2.17E+01\n 60.000 1.54E+03 -8.62E-01 -1.45E+01\n 50.000 1.52E+03 -8.72E-01 -1.30E+01\n 40.000 1.86E+03 -9.52E-01 -8.68E+00\n 32.000 2.13E+03 -1.01E+00 -5.72E+00\n 25.000 1.81E+03 -9.66E-01 -6.71E+00\n 20.000 1.61E+03 -9.34E-01 -7.58E+00\n 19.000 1.53E+03 -9.20E-01 -8.01E+00\n 18.000 1.47E+03 -9.10E-01 -8.28E+00\n 17.500 1.44E+03 -9.04E-01 -8.42E+00\n 17.000 1.40E+03 -8.96E-01 -8.67E+00\n 16.500 1.35E+03 -8.86E-01 -8.97E+00\n 15.500 1.28E+03 -8.72E-01 -9.37E+00\n 15.000 1.24E+03 -8.62E-01 -9.66E+00\n 14.500 1.19E+03 -8.50E-01 -1.01E+01\n 14.000 1.13E+03 -8.36E-01 -1.05E+01\n 13.500 1.03E+03 -8.08E-01 -1.15E+01\n 12.500 8.92E+02 -7.62E-01 -1.35E+01\n 11.500 9.77E+02 -7.88E-01 -1.28E+01\n 11.000 1.68E+03 -9.66E-01 -5.84E+00\n 10.500 2.45E+03 -1.09E+00 -1.57E+00\n 10.000 1.96E+03 -1.02E+00 -3.73E+00\n 9.600 1.52E+03 -9.30E-01 -7.13E+00\n 9.000 1.50E+03 -9.28E-01 -7.15E+00\n 8.600 1.46E+03 -9.20E-01 -7.42E+00\n 8.000 1.44E+03 -9.16E-01 -7.48E+00\n 7.600 1.42E+03 -9.14E-01 -7.47E+00\n 7.300 1.41E+03 -9.12E-01 -7.48E+00\n 7.100 1.40E+03 -9.10E-01 -7.52E+00\n 7.000 1.39E+03 -9.08E-01 -7.56E+00\n 6.700 1.37E+03 -9.04E-01 -7.66E+00\n 6.500 1.35E+03 -9.00E-01 -7.76E+00\n 6.300 1.32E+03 -8.94E-01 -7.92E+00\n 6.200 1.30E+03 -8.90E-01 -8.04E+00\n 6.100 1.28E+03 -8.86E-01 -8.14E+00\n 6.000 1.27E+03 -8.84E-01 -8.20E+00\n 5.900 1.30E+03 -8.92E-01 -7.94E+00\n 5.700 1.32E+03 -8.96E-01 -7.82E+00\n 5.500 1.31E+03 -8.94E-01 -7.90E+00\n 5.400 1.31E+03 -8.94E-01 -7.86E+00\n 5.300 1.30E+03 -8.92E-01 -7.90E+00\n 5.100 1.28E+03 -8.88E-01 -8.03E+00\n 4.900 1.27E+03 -8.84E-01 -8.16E+00\n 4.700 1.26E+03 -8.82E-01 -8.19E+00\n 4.500 1.24E+03 -8.78E-01 -8.32E+00\n 4.300 1.23E+03 -8.76E-01 -8.35E+00\n 4.100 1.22E+03 -8.74E-01 -8.38E+00\n 3.900 1.20E+03 -8.70E-01 -8.51E+00\n 3.690 1.17E+03 -8.64E-01 -8.67E+00\n 3.145 1.12E+03 -8.52E-01 -8.99E+00\n 2.618 1.12E+03 -8.52E-01 -8.94E+00\n 2.247 1.09E+03 -8.46E-01 -9.08E+00\n 1.855 1.07E+03 -8.40E-01 -9.22E+00\n 1.587 1.05E+03 -8.36E-01 -9.31E+00\n 1.393 1.04E+03 -8.32E-01 -9.40E+00\n 1.232 1.03E+03 -8.30E-01 -9.44E+00\n 1.142 1.01E+03 -8.26E-01 -9.61E+00\n 1.046 1.01E+03 -8.24E-01 -9.65E+00\n 0.929 9.99E+02 -8.22E-01 -9.69E+00\n 0.821 9.91E+02 -8.20E-01 -9.74E+00\n 0.766 9.84E+02 -8.18E-01 -9.79E+00\n 0.719 9.78E+02 -8.16E-01 -9.89E+00\n 0.664 9.76E+02 -8.16E-01 -9.84E+00\n 0.603 9.70E+02 -8.14E-01 -9.91E+00\n 0.544 9.63E+02 -8.12E-01 -9.98E+00\n 0.499 9.62E+02 -8.12E-01 -9.95E+00\n 0.459 9.55E+02 -8.10E-01 -1.00E+01\n 0.419 9.54E+02 -8.10E-01 -9.99E+00\n 0.379 9.48E+02 -8.08E-01 -1.01E+01\n 0.344 9.42E+02 -8.06E-01 -1.02E+01\n 0.314 9.41E+02 -8.06E-01 -1.01E+01\n 0.290 9.40E+02 -8.06E-01 -1.01E+01\n" }, { "path": "UTIL/inline_phot_preproc/refractive_indices/OPAC_water_clouds/wc.ssa", "content": "! Parameterisation of the coalbedo (w=single scattering albedo), 1-w a * r**b + c\n! 2.5 micron < r < 12.5 micron\n 2.5 12.5\n! lambda(micron) a b c \n 150.000 -1.37E-03 2.03E+00 1.01E+00\n 100.000 -3.95E-02 9.70E-01 1.12E+00\n 80.000 -3.03E-01 4.12E-01 1.49E+00\n 60.000 -1.05E+01 2.40E-02 1.18E+01\n 50.000 1.92E+00 -1.90E-01 -5.67E-01\n 40.000 1.27E+00 -5.24E-01 2.35E-01\n 32.000 1.38E+00 -9.68E-01 4.13E-01\n 25.000 1.39E+00 -1.23E+00 4.71E-01\n 20.000 1.22E+00 -1.25E+00 4.88E-01\n 19.000 1.10E+00 -1.17E+00 4.86E-01\n 18.000 1.00E+00 -1.07E+00 4.80E-01\n 17.500 9.54E-01 -1.01E+00 4.73E-01\n 17.000 9.18E-01 -9.46E-01 4.66E-01\n 16.500 8.82E-01 -8.72E-01 4.55E-01\n 15.500 8.53E-01 -7.86E-01 4.38E-01\n 15.000 8.41E-01 -7.32E-01 4.25E-01\n 14.500 8.36E-01 -6.76E-01 4.08E-01\n 14.000 8.38E-01 -6.18E-01 3.88E-01\n 13.500 8.57E-01 -5.22E-01 3.42E-01\n 12.500 9.43E-01 -3.90E-01 2.32E-01\n 11.500 9.80E-01 -4.36E-01 2.31E-01\n 11.000 1.07E+00 -8.10E-01 3.27E-01\n 10.500 1.70E+00 -1.50E+00 3.23E-01\n 10.000 7.67E+00 -3.08E+00 2.96E-01\n 9.600 2.69E-08 5.93E+00 2.38E-01\n 9.000 1.35E+02 -6.00E+00 2.47E-01\n 8.600 1.91E-08 6.00E+00 2.21E-01\n 8.000 1.96E-06 4.33E+00 1.96E-01\n 7.600 2.67E-05 3.38E+00 1.82E-01\n 7.300 1.13E-04 2.87E+00 1.72E-01\n 7.100 2.80E-04 2.56E+00 1.69E-01\n 7.000 6.59E-04 2.26E+00 1.67E-01\n 6.700 2.28E-03 1.83E+00 1.59E-01\n 6.500 7.68E-03 1.41E+00 1.63E-01\n 6.300 3.56E-02 8.60E-01 1.74E-01\n 6.200 3.83E-02 7.74E-01 2.31E-01\n 6.100 2.13E-03 1.62E+00 3.72E-01\n 6.000 1.32E-04 2.61E+00 3.96E-01\n 5.900 9.32E-04 2.07E+00 2.70E-01\n 5.700 1.92E-03 1.87E+00 1.16E-01\n 5.500 2.29E-03 1.73E+00 4.96E-02\n 5.400 3.68E-03 1.57E+00 3.91E-02\n 5.300 6.96E-03 1.36E+00 2.61E-02\n 5.100 1.77E-02 1.06E+00 -3.46E-03\n 4.900 3.83E-02 8.28E-01 -4.42E-02\n 4.700 7.89E-02 6.28E-01 -1.08E-01\n 4.500 1.40E-01 4.70E-01 -1.93E-01\n 4.300 1.50E-01 4.04E-01 -2.07E-01\n 4.100 1.40E-01 3.60E-01 -1.90E-01\n 3.900 1.69E-01 2.84E-01 -2.17E-01\n 3.690 -5.94E-01 -5.24E-01 4.22E-01\n 3.145 -1.22E+00 -1.90E+00 4.93E-01\n 2.618 2.00E+00 4.60E-02 -2.06E+00\n 2.247 1.25E-02 6.02E-01 -1.62E-02\n 1.855 4.00E-03 6.88E-01 -4.48E-03\n 1.587 1.38E-03 7.90E-01 -1.29E-03\n 1.393 1.01E-03 7.16E-01 -9.84E-04\n 1.232 3.11E-04 8.20E-01 -2.17E-04\n 1.142 1.59E-04 7.86E-01 -1.33E-04\n 1.046 2.36E-04 4.10E-01 -2.69E-04\n 0.929 7.42E-06 1.05E+00 5.08E-06\n 0.821 8.03E-07 1.44E+00 5.04E-06\n 0.766 5.93E-07 1.26E+00 1.69E-06\n 0.719 9.95E-07 8.56E-01 -4.37E-07\n 0.664 5.47E-07 8.14E-01 -1.41E-07\n 0.603 2.70E-07 7.34E-01 -2.43E-07\n 0.544 1.82E-08 1.21E+00 6.89E-08\n 0.499 3.72E-09 1.60E+00 1.07E-07\n 0.459 2.10E-08 1.13E+00 5.59E-08\n 0.419 2.57E-08 1.21E+00 1.01E-07\n 0.379 1.43E-07 9.52E-01 -2.31E-08\n 0.344 -2.03E-05 -1.52E+00 4.01E-06\n 0.314 -2.33E-05 -2.32E-01 1.95E-05\n 0.290 1.42E-06 7.66E-01 -1.02E-06\n!\n! 12.5 micron < r < 30.0 micron\n 12.5 30.0\n! lambda(micron) a b c\n 150.000 1.06E+01 -1.31E+00 4.12E-01\n 100.000 3.91E+01 -2.12E+00 5.02E-01\n 80.000 4.12E+01 -2.28E+00 5.18E-01\n 60.000 9.92E+00 -1.74E+00 5.15E-01\n 50.000 9.23E+00 -1.75E+00 5.15E-01\n 40.000 1.18E+02 -3.02E+00 5.23E-01\n 32.000 6.00E+04 -6.00E+00 5.21E-01\n 25.000 -8.04E-04 1.05E+00 5.44E-01\n 20.000 -2.33E-02 4.34E-01 6.10E-01\n 19.000 -2.97E-01 1.08E-01 9.35E-01\n 18.000 6.34E-01 -1.06E-01 6.19E-02\n 17.500 4.48E-01 -2.24E-01 2.94E-01\n 17.000 4.34E-01 -3.24E-01 3.59E-01\n 16.500 4.70E-01 -4.34E-01 3.95E-01\n 15.500 5.55E-01 -5.60E-01 4.21E-01\n 15.000 6.30E-01 -6.34E-01 4.31E-01\n 14.500 7.25E-01 -7.08E-01 4.39E-01\n 14.000 8.47E-01 -7.82E-01 4.47E-01\n 13.500 1.09E+00 -8.90E-01 4.58E-01\n 12.500 1.96E+00 -1.16E+00 4.82E-01\n 11.500 4.73E+01 -2.67E+00 5.07E-01\n 11.000 3.01E-08 4.04E+00 4.57E-01\n 10.500 8.00E-03 9.36E-01 2.74E-01\n 10.000 -1.68E+00 -2.14E-01 1.28E+00\n 9.600 -1.55E+01 -1.69E+00 5.19E-01\n 9.000 -6.68E+00 -1.23E+00 5.66E-01\n 8.600 -1.40E+01 -1.59E+00 5.23E-01\n 8.000 -1.97E+01 -1.79E+00 5.01E-01\n 7.600 -2.00E+01 -1.84E+00 4.95E-01\n 7.300 -1.78E+01 -1.83E+00 4.93E-01\n 7.100 -1.79E+01 -1.87E+00 4.92E-01\n 7.000 -1.95E+01 -1.96E+00 4.91E-01\n 6.700 -2.36E+01 -2.12E+00 4.90E-01\n 6.500 -9.39E+01 -2.84E+00 4.87E-01\n 6.300 -6.27E+04 -6.00E+00 4.93E-01\n 6.200 -6.06E-10 4.87E+00 5.00E-01\n 6.100 -1.05E-11 6.00E+00 5.02E-01\n 6.000 -6.31E+04 -6.00E+00 5.02E-01\n 5.900 -1.59E+03 -3.99E+00 4.93E-01\n 5.700 -3.34E+00 -1.14E+00 5.09E-01\n 5.500 -1.35E+00 -2.30E-01 9.83E-01\n 5.400 -1.50E+00 -1.74E-01 1.19E+00\n 5.300 -1.48E+00 -1.74E-01 1.19E+00\n 5.100 -1.39E+00 -1.92E-01 1.10E+00\n 4.900 -1.27E+00 -2.34E-01 9.60E-01\n 4.700 -1.19E+00 -2.94E-01 8.33E-01\n 4.500 -1.27E+00 -2.24E-01 9.81E-01\n 4.300 1.29E+00 8.80E-02 -1.41E+00\n 4.100 1.44E-01 3.40E-01 -1.86E-01\n 3.900 6.57E-02 4.66E-01 -8.47E-02\n 3.690 -2.76E+00 -4.00E-02 2.76E+00\n 3.145 -9.00E-05 1.40E+00 4.85E-01\n 2.618 5.92E-01 1.06E-01 -5.89E-01\n 2.247 5.81E-03 8.08E-01 -3.69E-03\n 1.855 2.10E-03 8.66E-01 -4.43E-04\n 1.587 7.25E-04 9.58E-01 7.05E-04\n 1.393 4.62E-04 9.44E-01 1.57E-04\n 1.232 2.27E-04 9.14E-01 -3.57E-05\n 1.142 8.54E-05 9.62E-01 5.50E-05\n 1.046 2.82E-05 1.00E+00 4.65E-05\n 0.929 1.58E-05 8.30E-01 -1.64E-05\n 0.821 3.79E-05 3.82E-01 -6.22E-05\n 0.766 4.52E-06 6.72E-01 -8.03E-06\n 0.719 1.88E-07 1.32E+00 3.08E-06\n 0.664 5.91E-07 8.46E-01 -9.34E-07\n 0.603 1.19E-07 9.76E-01 6.76E-08\n 0.544 3.23E-08 1.01E+00 4.62E-08\n 0.499 2.77E-08 9.74E-01 -1.07E-08\n 0.459 2.75E-07 5.16E-01 -6.04E-07\n 0.419 1.67E-07 7.12E-01 -3.65E-07\n 0.379 3.94E-07 7.06E-01 -7.93E-07\n 0.344 3.68E-07 9.22E-01 -4.01E-08\n 0.314 5.08E-07 9.88E-01 5.97E-07\n 0.290 9.00E-07 9.42E-01 -9.60E-07\n!\n! 30.0 micron < r < 60.0 micron\n 30.0 60.0\n! lambda(micron) a b c\n 150.000 1.62E+07 -6.00E+00 5.13E-01\n 100.000 1.16E-01 -3.16E-01 4.91E-01\n 80.000 -4.56E-04 1.09E+00 5.54E-01\n 60.000 -1.26E-01 1.86E-01 7.78E-01\n 50.000 -9.94E-02 2.04E-01 7.38E-01\n 40.000 -2.62E-04 1.22E+00 5.44E-01\n 32.000 -1.42E-03 8.88E-01 5.51E-01\n 25.000 5.33E-01 -1.28E-01 1.71E-01\n 20.000 5.41E-01 -4.94E-01 4.08E-01\n 19.000 6.35E-01 -5.86E-01 4.19E-01\n 18.000 6.95E-01 -6.36E-01 4.24E-01\n 17.500 7.25E-01 -6.60E-01 4.27E-01\n 17.000 7.58E-01 -6.84E-01 4.29E-01\n 16.500 7.97E-01 -7.12E-01 4.32E-01\n 15.500 8.43E-01 -7.44E-01 4.36E-01\n 15.000 8.83E-01 -7.68E-01 4.39E-01\n 14.500 9.26E-01 -7.92E-01 4.42E-01\n 14.000 9.69E-01 -8.14E-01 4.45E-01\n 13.500 1.05E+00 -8.48E-01 4.52E-01\n 12.500 8.68E-01 -8.10E-01 4.64E-01\n 11.500 -3.52E-04 9.38E-01 5.21E-01\n 11.000 -1.82E+04 -3.99E+00 5.05E-01\n 10.500 -6.31E+04 -4.19E+00 5.03E-01\n 10.000 -1.79E+05 -4.55E+00 4.96E-01\n 9.600 -4.70E+04 -4.33E+00 4.85E-01\n 9.000 -5.13E+03 -3.55E+00 4.89E-01\n 8.600 -1.45E+03 -3.18E+00 4.87E-01\n 8.000 -5.23E+02 -2.87E+00 4.85E-01\n 7.600 -5.94E+02 -2.93E+00 4.83E-01\n 7.300 -9.06E+02 -3.09E+00 4.82E-01\n 7.100 -2.77E+03 -3.47E+00 4.81E-01\n 7.000 -2.54E+04 -4.21E+00 4.80E-01\n 6.700 -6.01E+06 -6.00E+00 4.80E-01\n 6.500 -1.93E-12 5.20E+00 4.82E-01\n 6.300 1.82E-01 -3.40E-01 4.33E-01\n 6.200 4.03E-01 -7.22E-01 4.57E-01\n 6.100 4.34E-01 -7.44E-01 4.61E-01\n 6.000 3.19E-01 -6.20E-01 4.59E-01\n 5.900 -1.15E-04 1.15E+00 4.97E-01\n 5.700 -4.19E+01 -2.02E+00 4.82E-01\n 5.500 -4.50E+00 -9.88E-01 5.19E-01\n 5.400 -4.41E+00 -9.76E-01 5.20E-01\n 5.300 -5.09E+00 -1.04E+00 5.13E-01\n 5.100 -6.49E+00 -1.16E+00 5.03E-01\n 4.900 -8.50E+00 -1.28E+00 4.96E-01\n 4.700 -1.15E+01 -1.41E+00 4.90E-01\n 4.500 -8.65E+00 -1.29E+00 4.93E-01\n 4.300 -2.84E+00 -7.66E-01 5.42E-01\n 4.100 -1.55E+00 -3.58E-01 7.30E-01\n 3.900 -1.68E+00 -1.64E-01 1.20E+00\n 3.690 -1.17E+00 -5.40E-01 5.37E-01\n 3.145 2.17E-01 -7.48E-01 4.57E-01\n 2.618 -1.13E+00 -1.34E-01 9.75E-01\n 2.247 4.81E-02 4.08E-01 -1.06E-01\n 1.855 1.32E-02 5.06E-01 -3.44E-02\n 1.587 3.65E-03 6.28E-01 -1.15E-02\n 1.393 1.97E-03 6.50E-01 -6.45E-03\n 1.232 7.03E-04 6.90E-01 -2.34E-03\n 1.142 3.58E-04 6.70E-01 -1.21E-03\n 1.046 1.50E-04 6.60E-01 -5.20E-04\n 0.929 3.08E-05 7.12E-01 -9.82E-05\n 0.821 6.09E-06 7.88E-01 -1.23E-05\n 0.766 6.16E-06 6.52E-01 -2.04E-05\n 0.719 2.03E-05 3.32E-01 -4.32E-05\n 0.664 8.34E-07 7.78E-01 -2.25E-06\n 0.603 3.32E-07 7.62E-01 -1.09E-06\n 0.544 9.12E-08 7.94E-01 -3.12E-07\n 0.499 2.25E-07 5.48E-01 -7.05E-07\n 0.459 6.85E-08 8.22E-01 -1.44E-07\n 0.419 1.35E-07 7.78E-01 -3.94E-07\n 0.379 3.42E-07 7.64E-01 -1.07E-06\n 0.344 7.50E-07 7.82E-01 -2.36E-06\n 0.314 2.18E-06 6.90E-01 -7.64E-06\n 0.290 3.14E-06 6.88E-01 -1.16E-05\n" }, { "path": "UTIL/inline_phot_preproc/refractive_indices/adient_aerosol_refrac_indx/refract_ammoniumsulphate_lf.txt", "content": "NH4SO4_IF\n! Ref. ind. for ammoniumsulphate (interp)\n!Wvelen(um) Real Part Imag Part\n2.0000E-01 0.1540E+01 0.1000E-06\n2.5000E-01 0.1540E+01 0.1000E-06\n3.0000E-01 0.1540E+01 0.1000E-06\n3.3700E-01 0.1540E+01 0.1000E-06\n4.0000E-01 0.1540E+01 0.1000E-06\n4.8800E-01 0.1534E+01 0.1000E-06\n5.1500E-01 0.1532E+01 0.1000E-06\n5.5000E-01 0.1529E+01 0.1000E-06\n6.3300E-01 0.1526E+01 0.1000E-06\n6.9400E-01 0.1525E+01 0.1000E-06\n8.6000E-01 0.1520E+01 0.1750E-06\n1.0600E+00 0.1510E+01 0.2107E-05\n1.3000E+00 0.1500E+01 0.1700E-04\n1.5360E+00 0.1490E+01 0.1132E-03\n1.8000E+00 0.1480E+01 0.7600E-04\n2.0000E+00 0.1470E+01 0.1000E-02\n2.2500E+00 0.1460E+01 0.1235E-02\n2.5000E+00 0.1440E+01 0.3500E-03\n2.7000E+00 0.1411E+01 0.2813E-02\n3.0000E+00 0.1304E+01 0.1271E+00\n3.2000E+00 0.1486E+01 0.2580E+00\n3.3920E+00 0.1610E+01 0.1693E+00\n3.5000E+00 0.1617E+01 0.1417E+00\n3.7500E+00 0.1585E+01 0.4857E-01\n4.0000E+00 0.1546E+01 0.1531E-01\n4.5000E+00 0.1495E+01 0.7395E-02\n5.0000E+00 0.1461E+01 0.6480E-02\n5.5000E+00 0.1413E+01 0.8161E-02\n6.0000E+00 0.1347E+01 0.1324E-01\n6.2000E+00 0.1309E+01 0.1865E-01\n6.5000E+00 0.1187E+01 0.6167E-01\n7.2000E+00 0.1928E+01 0.5600E+00\n7.9000E+00 0.1363E+01 0.7474E-01\n8.2000E+00 0.1165E+01 0.1224E+00\n8.5000E+00 0.1446E+01 0.6740E+00\n8.7000E+00 0.1634E+01 1.0424E+00\n9.0000E+00 0.1915E+01 1.5940E+00\n9.2000E+00 0.2102E+01 0.1958E+01\n9.5000E+00 0.2701E+01 0.6147E+00\n9.8000E+00 0.2394E+01 0.2967E+00\n1.0000E+01 0.2190E+01 0.1300E+00\n1.0591E+01 0.1973E+01 0.5697E-01\n1.1000E+01 0.1898E+01 0.4333E-01\n1.1500E+01 0.1840E+01 0.2857E-01\n1.2500E+01 0.1750E+01 0.2000E-01\n1.3000E+01 0.1719E+01 0.2000E-01\n1.4000E+01 0.1651E+01 0.2000E-01\n1.4800E+01 0.1557E+01 0.2455E-01\n1.5000E+01 0.1528E+01 0.2636E-01\n1.6400E+01 0.2770E+01 0.5800E+00\n1.7200E+01 0.2030E+01 0.7333E-01\n1.8000E+01 0.1822E+01 0.3067E-01\n1.8500E+01 0.1757E+01 0.2000E-01\n2.0000E+01 0.1690E+01 0.2000E-01\n2.1300E+01 0.1649E+01 0.2591E-01\n2.2500E+01 0.1612E+01 0.3214E-01\n2.5000E+01 0.1550E+01 0.5000E-01\n2.7900E+01 0.1445E+01 0.9833E-01\n3.0000E+01 0.1349E+01 0.2143E+00\n3.5000E+01 0.1424E+01 0.6275E+00\n4.0000E+01 0.2140E+01 0.1120E+01\n" }, { "path": "UTIL/inline_phot_preproc/refractive_indices/adient_aerosol_refrac_indx/refract_bc_high.txt", "content": "BC_HIGH\n!Refractive Index of BC High absorbing from Bond and Bergstrom 2006\n!Wvelen(um) Real Part Imag Part\n2.0000E-01 1.95000e+00 7.90000e-01\n2.5000E-01 1.95000e+00 7.90000e-01\n3.0000E-01 1.95000e+00 7.90000e-01\n3.3700E-01 1.95000e+00 7.90000e-01\n4.0000E-01 1.95000e+00 7.90000e-01\n4.8800E-01 1.95000e+00 7.90000e-01\n5.1500E-01 1.95000e+00 7.90000e-01\n5.5000E-01 1.95000e+00 7.90000e-01\n6.3300E-01 1.95000e+00 7.90000e-01\n6.9400E-01 1.95000e+00 7.90000e-01\n8.6000E-01 1.95000e+00 7.90000e-01\n1.0600E+00 1.95000e+00 7.90000e-01\n1.3000E+00 1.95000e+00 7.90000e-01\n1.5360E+00 1.95000e+00 7.90000e-01\n1.8000E+00 1.95000e+00 7.90000e-01\n2.0000E+00 1.95000e+00 7.90000e-01\n2.2500E+00 1.95000e+00 7.90000e-01\n2.5000E+00 1.95000e+00 7.90000e-01\n2.7000E+00 1.95000e+00 7.90000e-01\n3.0000E+00 1.95000e+00 7.90000e-01\n3.2000E+00 1.95000e+00 7.90000e-01\n3.3920E+00 1.95000e+00 7.90000e-01\n3.5000E+00 1.95000e+00 7.90000e-01\n3.7500E+00 1.95000e+00 7.90000e-01\n4.0000E+00 1.95000e+00 7.90000e-01\n4.5000E+00 1.95000e+00 7.90000e-01\n5.0000E+00 1.95000e+00 7.90000e-01\n5.5000E+00 1.95000e+00 7.90000e-01\n6.0000E+00 1.95000e+00 7.90000e-01\n6.2000E+00 1.95000e+00 7.90000e-01\n6.5000E+00 1.95000e+00 7.90000e-01\n7.2000E+00 1.95000e+00 7.90000e-01\n7.9000E+00 1.95000e+00 7.90000e-01\n8.2000E+00 1.95000e+00 7.90000e-01\n8.5000E+00 1.95000e+00 7.90000e-01\n8.7000E+00 1.95000e+00 7.90000e-01\n9.0000E+00 1.95000e+00 7.90000e-01\n9.2000E+00 1.95000e+00 7.90000e-01\n9.5000E+00 1.95000e+00 7.90000e-01\n9.8000E+00 1.95000e+00 7.90000e-01\n1.0000E+01 1.95000e+00 7.90000e-01\n1.0591E+01 1.95000e+00 7.90000e-01\n1.1000E+01 1.95000e+00 7.90000e-01\n1.1500E+01 1.95000e+00 7.90000e-01\n1.2500E+01 1.95000e+00 7.90000e-01\n1.3000E+01 1.95000e+00 7.90000e-01\n1.4000E+01 1.95000e+00 7.90000e-01\n1.4800E+01 1.95000e+00 7.90000e-01\n1.5000E+01 1.95000e+00 7.90000e-01\n1.6400E+01 1.95000e+00 7.90000e-01\n1.7200E+01 1.95000e+00 7.90000e-01\n1.8000E+01 1.95000e+00 7.90000e-01\n1.8500E+01 1.95000e+00 7.90000e-01\n2.0000E+01 1.95000e+00 7.90000e-01\n2.1300E+01 1.95000e+00 7.90000e-01\n2.2500E+01 1.95000e+00 7.90000e-01\n2.5000E+01 1.95000e+00 7.90000e-01\n2.7900E+01 1.95000e+00 7.90000e-01\n3.0000E+01 1.95000e+00 7.90000e-01\n3.5000E+01 1.95000e+00 7.90000e-01\n4.0000E+01 1.95000e+00 7.90000e-01\n" }, { "path": "UTIL/inline_phot_preproc/refractive_indices/adient_aerosol_refrac_indx/refract_bc_med.txt", "content": "BC_MED\n!Refractive Index of BC mid absorbing from Stier et al (2007)\n!Wvelen(um) Real Part Imag Part\n2.0000E-01 1.85000e+00 7.10000e-01\n2.5000E-01 1.85000e+00 7.10000e-01\n3.0000E-01 1.85000e+00 7.10000e-01\n3.3700E-01 1.85000e+00 7.10000e-01\n4.0000E-01 1.85000e+00 7.10000e-01\n4.8800E-01 1.85000e+00 7.10000e-01\n5.1500E-01 1.85000e+00 7.10000e-01\n5.5000E-01 1.85000e+00 7.10000e-01\n6.3300E-01 1.85000e+00 7.10000e-01\n6.9400E-01 1.85000e+00 7.10000e-01\n8.6000E-01 1.85000e+00 7.10000e-01\n1.0600E+00 1.85000e+00 7.10000e-01\n1.3000E+00 1.85000e+00 7.10000e-01\n1.5360E+00 1.85000e+00 7.10000e-01\n1.8000E+00 1.85000e+00 7.10000e-01\n2.0000E+00 1.85000e+00 7.10000e-01\n2.2500E+00 1.85000e+00 7.10000e-01\n2.5000E+00 1.85000e+00 7.10000e-01\n2.7000E+00 1.85000e+00 7.10000e-01\n3.0000E+00 1.85000e+00 7.10000e-01\n3.2000E+00 1.85000e+00 7.10000e-01\n3.3920E+00 1.85000e+00 7.10000e-01\n3.5000E+00 1.85000e+00 7.10000e-01\n3.7500E+00 1.85000e+00 7.10000e-01\n4.0000E+00 1.85000e+00 7.10000e-01\n4.5000E+00 1.85000e+00 7.10000e-01\n5.0000E+00 1.85000e+00 7.10000e-01\n5.5000E+00 1.85000e+00 7.10000e-01\n6.0000E+00 1.85000e+00 7.10000e-01\n6.2000E+00 1.85000e+00 7.10000e-01\n6.5000E+00 1.85000e+00 7.10000e-01\n7.2000E+00 1.85000e+00 7.10000e-01\n7.9000E+00 1.85000e+00 7.10000e-01\n8.2000E+00 1.85000e+00 7.10000e-01\n8.5000E+00 1.85000e+00 7.10000e-01\n8.7000E+00 1.85000e+00 7.10000e-01\n9.0000E+00 1.85000e+00 7.10000e-01\n9.2000E+00 1.85000e+00 7.10000e-01\n9.5000E+00 1.85000e+00 7.10000e-01\n9.8000E+00 1.85000e+00 7.10000e-01\n1.0000E+01 1.85000e+00 7.10000e-01\n1.0591E+01 1.85000e+00 7.10000e-01\n1.1000E+01 1.85000e+00 7.10000e-01\n1.1500E+01 1.85000e+00 7.10000e-01\n1.2500E+01 1.85000e+00 7.10000e-01\n1.3000E+01 1.85000e+00 7.10000e-01\n1.4000E+01 1.85000e+00 7.10000e-01\n1.4800E+01 1.85000e+00 7.10000e-01\n1.5000E+01 1.85000e+00 7.10000e-01\n1.6400E+01 1.85000e+00 7.10000e-01\n1.7200E+01 1.85000e+00 7.10000e-01\n1.8000E+01 1.85000e+00 7.10000e-01\n1.8500E+01 1.85000e+00 7.10000e-01\n2.0000E+01 1.85000e+00 7.10000e-01\n2.1300E+01 1.85000e+00 7.10000e-01\n2.2500E+01 1.85000e+00 7.10000e-01\n2.5000E+01 1.85000e+00 7.10000e-01\n2.7900E+01 1.85000e+00 7.10000e-01\n3.0000E+01 1.85000e+00 7.10000e-01\n3.5000E+01 1.85000e+00 7.10000e-01\n4.0000E+01 1.85000e+00 7.10000e-01\n" }, { "path": "UTIL/inline_phot_preproc/refractive_indices/adient_aerosol_refrac_indx/refract_biomass_new.txt", "content": "BIOMASS\n! Refractive indices for Biomass burning\n!Wvelen(um) Real Part Imag Part\n2.0000E-01 0.1540E+01 0.1008E+00\n2.5000E-01 0.1540E+01 0.1008E+00\n3.0000E-01 0.1540E+01 0.1008E+00\n3.3700E-01 0.1540E+01 0.1008E+00\n4.0000E-01 0.1540E+01 0.6660E-01\n4.8800E-01 0.1540E+01 0.2700E-01\n5.1500E-01 0.1540E+01 0.2700E-01\n5.5000E-01 0.1540E+01 0.1800E-01\n6.3300E-01 0.1540E+01 0.1800E-01\n6.9400E-01 0.1540E+01 0.1800E-01\n8.6000E-01 0.1540E+01 0.1800E-01\n1.0600E+00 0.1540E+01 0.1800E-01\n1.3000E+00 0.1540E+01 0.1800E-01\n1.5360E+00 0.1540E+01 0.1800E-01\n1.8000E+00 0.1540E+01 0.1800E-01\n2.0000E+00 0.1540E+01 0.1800E-01\n2.2500E+00 0.1540E+01 0.1800E-01\n2.5000E+00 0.1540E+01 0.1800E-01\n2.7000E+00 0.1540E+01 0.1800E-01\n3.0000E+00 0.1540E+01 0.1800E-01\n3.2000E+00 0.1540E+01 0.1800E-01\n3.3920E+00 0.1540E+01 0.1800E-01\n3.5000E+00 0.1540E+01 0.1800E-01\n3.7500E+00 0.1540E+01 0.1800E-01\n4.0000E+00 0.1465E+01 0.1500E-01\n4.5000E+00 0.1470E+01 0.3900E-01\n5.0000E+00 0.1459E+01 0.3600E-01\n5.5000E+00 0.1449E+01 0.5400E-01\n6.0000E+00 0.1419E+01 0.6900E-01\n6.2000E+00 0.1439E+01 0.8100E-01\n6.5000E+00 0.1470E+01 0.9900E-01\n7.2000E+00 0.1409E+01 0.2100E+00\n7.9000E+00 0.1208E+01 0.1950E+00\n8.2000E+00 0.1017E+01 0.3000E+00\n8.5000E+00 0.1308E+01 0.6450E+00\n8.7000E+00 0.2416E+01 0.8700E+00\n9.0000E+00 0.2577E+01 0.1110E+01\n9.2000E+00 0.2214E+01 0.1260E+01\n9.5000E+00 0.1963E+01 0.4800E+00\n9.8000E+00 0.1882E+01 0.2850E+00\n1.0000E+01 0.1832E+01 0.2700E+00\n1.0591E+01 0.1773E+01 0.2109E+00\n1.1000E+01 0.1731E+01 0.1500E+00\n1.1500E+01 0.1681E+01 0.1410E+00\n1.2500E+01 0.1631E+01 0.1590E+00\n1.3000E+01 0.1631E+01 0.1650E+00\n1.4000E+01 0.1570E+01 0.2190E+00\n1.4800E+01 0.1449E+01 0.3000E+00\n1.5000E+01 0.1429E+01 0.6000E+00\n1.6400E+01 0.1761E+01 0.4800E+00\n1.7200E+01 0.2094E+01 0.7260E+00\n1.8000E+01 0.1993E+01 0.5400E+00\n1.8500E+01 0.1862E+01 0.5100E+00\n2.0000E+01 0.2134E+01 0.6600E+00\n2.1300E+01 0.2073E+01 0.6900E+00\n2.2500E+01 0.2013E+01 0.7200E+00\n2.5000E+01 0.1892E+01 0.8400E+00\n2.7900E+01 0.1852E+01 0.8700E+00\n3.0000E+01 0.1832E+01 0.9000E+00\n3.5000E+01 0.1933E+01 0.1200E+01\n4.0000E+01 0.1872E+01 0.1500E+01\n" }, { "path": "UTIL/inline_phot_preproc/refractive_indices/adient_aerosol_refrac_indx/refract_dust_kwcp_fou.txt", "content": "DUST_KWCP_FOU\n! Refractive indices for Dust from Kinne, WCP and Fou\n!Wvelen(um) Real Part Imag Part\n2.0000E-01 0.1530E+01 0.5455E-02\n2.5000E-01 0.1530E+01 0.5455E-02\n3.0000E-01 0.1530E+01 0.5455E-02\n3.3700E-01 0.1530E+01 0.3469E-02\n4.0000E-01 0.1530E+01 0.2364E-02\n4.8800E-01 0.1530E+01 0.1449E-02\n5.1500E-01 0.1530E+01 0.1293E-02\n5.5000E-01 0.1530E+01 0.1000E-02\n6.3300E-01 0.1530E+01 0.8182E-03\n6.9400E-01 0.1530E+01 0.7382E-03\n8.6000E-01 0.1530E+01 0.7273E-03\n1.0600E+00 0.1530E+01 0.7709E-03\n1.3000E+00 0.1530E+01 0.9345E-03\n1.5360E+00 0.1530E+01 0.1055E-02\n1.8000E+00 0.1530E+01 0.1207E-02\n2.0000E+00 0.1530E+01 0.1382E-02\n2.2500E+00 0.1525E+01 0.1964E-02\n2.5000E+00 0.1520E+01 0.2545E-02\n2.7000E+00 0.1520E+01 0.4364E-02\n3.0000E+00 0.1520E+01 0.7091E-02\n3.2000E+00 0.1510E+01 0.4364E-02\n3.3920E+00 0.1510E+01 0.3496E-02\n3.5000E+00 0.1510E+01 0.3273E-02\n3.7500E+00 0.1500E+01 0.2182E-02\n4.0000E+00 0.1500E+01 0.1218E-02\n4.5000E+00 0.1500E+01 0.1582E-02\n5.0000E+00 0.1480E+01 0.3273E-02\n5.5000E+00 0.1460E+01 0.3669E-01\n6.0000E+00 0.1440E+01 0.6661E-01\n6.2000E+00 0.1430E+01 0.6461E-01\n6.5000E+00 0.1420E+01 0.5377E-01\n7.2000E+00 0.1460E+01 0.7738E-01\n7.9000E+00 0.1220E+01 0.9994E-01\n8.2000E+00 0.1120E+01 0.1511E+00\n8.5000E+00 0.1060E+01 0.2457E+00\n8.7000E+00 0.1190E+01 0.3451E+00\n9.0000E+00 0.1850E+01 0.5058E+00\n9.2000E+00 0.2220E+01 0.5744E+00\n9.5000E+00 0.2940E+01 0.6564E+00\n9.8000E+00 0.2910E+01 0.6588E+00\n1.0000E+01 0.2570E+01 0.5231E+00\n1.0591E+01 0.1920E+01 0.2800E+00\n1.1000E+01 0.1830E+01 0.2272E+00\n1.1500E+01 0.1810E+01 0.1476E+00\n1.2500E+01 0.1740E+01 0.1868E+00\n1.3000E+01 0.2000E+01 0.1856E+00\n1.4000E+01 0.1630E+01 0.2074E+00\n1.4800E+01 0.1540E+01 0.2472E+00\n1.5000E+01 0.1510E+01 0.2450E+00\n1.6400E+01 0.1470E+01 0.3411E+00\n1.7200E+01 0.1490E+01 0.4602E+00\n1.8000E+01 0.1770E+01 0.6199E+00\n1.8500E+01 0.2050E+01 0.7077E+00\n2.0000E+01 0.2200E+01 0.6755E+00\n2.1300E+01 0.2390E+01 0.8674E+00\n2.2500E+01 0.2690E+01 0.8172E+00\n2.5000E+01 0.2990E+01 0.5781E+00\n2.7900E+01 0.2570E+01 0.5479E+00\n3.0000E+01 0.2420E+01 0.5832E+00\n3.5000E+01 0.2420E+01 0.5883E+00\n4.0000E+01 0.2340E+01 0.5866E+00\n" }, { "path": "UTIL/inline_phot_preproc/refractive_indices/adient_aerosol_refrac_indx/refract_nitrate.txt", "content": "NITRATE\n! Ref. ind. for amm. nitrate\n!Wvelen(um) Real Part Imag Part\n2.0000E-01 1.61000E+00 0.00000E-00\n2.5000E-01 1.61000E+00 0.00000E-00\n3.0000E-01 1.61000E+00 0.00000E-00\n3.3700E-01 1.61000E+00 0.00000E-00\n4.0000E-01 1.61000E+00 0.00000E-00\n4.8800E-01 1.61000E+00 0.00000E-00\n5.1500E-01 1.61000E+00 0.00000E-00\n5.5000E-01 1.61000E+00 0.00000E-00\n6.3300E-01 1.61000E+00 0.00000E-00 \n6.9400E-01 1.61000E+00 3.19768E-08\n8.6000E-01 1.60000E+00 2.72157E-06\n1.0600E+00 1.59000E+00 1.56986E-05\n1.3000E+00 1.58000E+00 1.70623E-04\n1.5360E+00 1.57000E+00 1.80820E-03\n1.8000E+00 1.56000E+00 1.48521E-03\n2.0000E+00 1.56000E+00 2.75000E-03\n2.2500E+00 1.55000E+00 1.91000E-03\n2.5000E+00 1.53000E+00 3.17000E-03\n2.7000E+00 1.48000E+00 1.13000E-03\n3.0000E+00 1.25000E+00 2.09000E-01\n3.2000E+00 1.55000E+00 5.07000E-01\n3.3920E+00 1.82000E+00 3.11000E-01\n3.5000E+00 1.83000E+00 2.09000E-01\n3.7500E+00 1.75000E+00 5.16000E-02\n4.0000E+00 1.67000E+00 3.57000E-02\n4.5000E+00 1.61000E+00 1.08000E-02\n5.0000E+00 1.55000E+00 2.57000E-02\n5.5000E+00 1.46000E+00 4.84000E-02\n6.0000E+00 1.42000E+00 1.30000E-01\n6.2000E+00 1.33000E+00 1.34000E-01\n6.5000E+00 1.17000E+00 2.00000E-01\n7.2000E+00 1.77000E+00 1.69000E+00\n7.9000E+00 2.37000E+00 3.40000E-01\n8.2000E+00 2.18000E+00 1.94000E-01\n8.5000E+00 2.11000E+00 1.59000E-01\n8.7000E+00 2.09000E+00 1.40000E-01\n9.0000E+00 2.04000E+00 1.22000E-01\n9.2000E+00 2.03000E+00 1.15000E-01\n9.5000E+00 2.02000E+00 7.49000E-02\n9.8000E+00 1.98000E+00 6.42000E-02\n1.0000E+01 1.95000E+00 6.36000E-02\n1.0591E+01 1.94000E+00 4.84000E-02\n1.1000E+01 1.91000E+00 3.80000E-02\n1.1500E+01 1.85000E+00 2.77000E-02\n1.2500E+01 1.98000E+00 5.25000E-03\n1.3000E+01 1.89000E+00 2.87000E-02\n1.4000E+01 1.94000E+00 2.38000E-02\n1.4800E+01 1.89000E+00 0.00000E+00\n1.5000E+01 1.85000E+00 1.36000E-02\n1.6400E+01 1.85000E+00 1.36000E-02\n1.7200E+01 1.84000E+00 1.45000E-02\n1.8000E+01 1.81000E+00 2.44000E-02\n1.8500E+01 1.81000E+00 2.44000E-02\n2.0000E+01 1.82000E+00 4.24000E-02\n2.1300E+01 1.82000E+00 4.24000E-02\n2.2500E+01 1.82000E+00 4.24000E-02\n2.5000E+01 1.82000E+00 4.24000E-02\n2.7900E+01 1.82000E+00 4.24000E-02\n3.0000E+01 1.82000E+00 4.24000E-02\n3.5000E+01 1.82000E+00 4.24000E-02\n4.0000E+01 1.82000E+00 4.24000E-02\n" }, { "path": "UTIL/inline_phot_preproc/refractive_indices/adient_aerosol_refrac_indx/refract_organicc_new.txt", "content": "ORGANICC\n! Refractive indices for organic carbon (OC)\n!Wvelen(um) Real Part Imag Part\n1.5000E-01 0.1601E+01 0.1176E+00\n2.0000E-01 0.1601E+01 0.1176E+00\n2.5000E-01 0.1601E+01 0.1176E+00\n3.0000E-01 0.1601E+01 0.1176E+00\n3.3700E-01 0.1601E+01 0.1176E+00\n4.0000E-01 0.1634E+01 0.7770E-01\n4.8800E-01 0.1634E+01 0.3675E-01\n5.1500E-01 0.1634E+01 0.2520E-01\n5.5000E-01 0.1634E+01 0.2100E-01\n6.3300E-01 0.1634E+01 0.6300E-02\n6.9400E-01 0.1634E+01 0.7000E-03\n8.6000E-01 0.1634E+01 0.7000E-03\n1.0600E+00 0.1634E+01 0.7000E-03\n1.3000E+00 0.1634E+01 0.7000E-03\n1.5360E+00 0.1634E+01 0.7000E-03\n1.8000E+00 0.1634E+01 0.7000E-03\n2.0000E+00 0.1634E+01 0.7000E-03\n2.2500E+00 0.1634E+01 0.7000E-03\n2.5000E+00 0.1634E+01 0.7000E-03\n2.7000E+00 0.1634E+01 0.7000E-03\n3.0000E+00 0.1634E+01 0.7000E-03\n3.2000E+00 0.1634E+01 0.7000E-03\n3.3920E+00 0.1634E+01 0.7000E-03\n3.5000E+00 0.1634E+01 0.7000E-03\n3.7500E+00 0.1634E+01 0.7000E-03\n4.0000E+00 0.1554E+01 0.1750E-01\n4.5000E+00 0.1559E+01 0.4550E-01\n5.0000E+00 0.1549E+01 0.4200E-01\n5.5000E+00 0.1538E+01 0.6300E-01\n6.0000E+00 0.1506E+01 0.8050E-01\n6.2000E+00 0.1527E+01 0.9450E-01\n6.5000E+00 0.1559E+01 0.1155E+00\n7.2000E+00 0.1495E+01 0.2450E+00\n7.9000E+00 0.1282E+01 0.2275E+00\n8.2000E+00 0.1079E+01 0.3500E+00\n8.5000E+00 0.1388E+01 0.7525E+00\n8.7000E+00 0.2563E+01 0.1015E+01\n9.0000E+00 0.2734E+01 0.1295E+01\n9.2000E+00 0.2350E+01 0.1470E+01\n9.5000E+00 0.2083E+01 0.5600E+00\n9.8000E+00 0.1997E+01 0.3325E+00\n1.0000E+01 0.1944E+01 0.3150E+00\n1.0591E+01 0.1881E+01 0.2460E+00\n1.1000E+01 0.1837E+01 0.1750E+00\n1.1500E+01 0.1784E+01 0.1645E+00\n1.2500E+01 0.1730E+01 0.1855E+00\n1.3000E+01 0.1730E+01 0.1925E+00\n1.4000E+01 0.1666E+01 0.2555E+00\n1.4800E+01 0.1538E+01 0.3500E+00\n1.5000E+01 0.1517E+01 0.7000E+00\n1.6400E+01 0.1869E+01 0.5600E+00\n1.7200E+01 0.2221E+01 0.8470E+00\n1.8000E+01 0.2115E+01 0.6300E+00\n1.8500E+01 0.1976E+01 0.5950E+00\n2.0000E+01 0.2264E+01 0.7700E+00\n2.1300E+01 0.2200E+01 0.8050E+00\n2.2500E+01 0.2136E+01 0.8400E+00\n2.5000E+01 0.2008E+01 0.9800E+00\n2.7900E+01 0.1965E+01 0.1015E+01\n3.0000E+01 0.1944E+01 0.1050E+01\n3.5000E+01 0.2051E+01 0.1400E+01\n4.0000E+01 0.1986E+01 0.1750E+01\n" }, { "path": "UTIL/inline_phot_preproc/refractive_indices/adient_aerosol_refrac_indx/refract_soa_dinar.txt", "content": "SOA_DINAR\n! Refractive indices for Secondary organic aerosol (Dinar et al)\n!Wvelen(um) Real Part Imag Part\n2.0000E-01 0.1560E+01 0.0030E+00\n2.5000E-01 0.1560E+01 0.0030E+00\n3.0000E-01 0.1560E+01 0.0030E+00\n3.3700E-01 0.1560E+01 0.0030E+00\n4.0000E-01 0.1560E+01 0.0030E+00\n4.8800E-01 0.1560E+01 0.0030E+00\n5.1500E-01 0.1560E+01 0.0030E+00\n5.5000E-01 0.1560E+01 0.0030E+00\n6.3300E-01 0.1560E+01 0.0030E+00\n6.9400E-01 0.1560E+01 0.0030E+00\n8.6000E-01 0.1560E+01 0.0030E+00\n1.0600E+00 0.1560E+01 0.0030E+00\n1.3000E+00 0.1560E+01 0.0030E+00\n1.5360E+00 0.1560E+01 0.0030E+00\n1.8000E+00 0.1560E+01 0.0030E+00\n2.0000E+00 0.1560E+01 0.0030E+00\n2.2500E+00 0.1560E+01 0.0030E+00\n2.5000E+00 0.1560E+01 0.0030E+00\n2.7000E+00 0.1560E+01 0.0030E+00\n3.0000E+00 0.1560E+01 0.0030E+00\n3.2000E+00 0.1560E+01 0.0030E+00\n3.3920E+00 0.1560E+01 0.0030E+00\n3.5000E+00 0.1560E+01 0.0030E+00\n3.7500E+00 0.1560E+01 0.0030E+00\n4.0000E+00 0.1560E+01 0.0030E+00\n4.5000E+00 0.1560E+01 0.0030E+00\n5.0000E+00 0.1560E+01 0.0030E+00\n5.5000E+00 0.1560E+01 0.0030E+00\n6.0000E+00 0.1560E+01 0.0030E+00\n6.2000E+00 0.1560E+01 0.0030E+00\n6.5000E+00 0.1560E+01 0.0030E+00\n7.2000E+00 0.1560E+01 0.0030E+00\n7.9000E+00 0.1560E+01 0.0030E+00\n8.2000E+00 0.1560E+01 0.0030E+00\n8.5000E+00 0.1560E+01 0.0030E+00\n8.7000E+00 0.1560E+01 0.0030E+00\n9.0000E+00 0.1560E+01 0.0030E+00\n9.2000E+00 0.1560E+01 0.0030E+00\n9.5000E+00 0.1560E+01 0.0030E+00\n9.8000E+00 0.1560E+01 0.0030E+00\n1.0000E+01 0.1560E+01 0.0030E+00\n1.0591E+01 0.1560E+01 0.0030E+00\n1.1000E+01 0.1560E+01 0.0030E+00\n1.1500E+01 0.1560E+01 0.0030E+00\n1.2500E+01 0.1560E+01 0.0030E+00\n1.3000E+01 0.1560E+01 0.0030E+00\n1.4000E+01 0.1560E+01 0.0030E+00\n1.4800E+01 0.1560E+01 0.0030E+00\n1.5000E+01 0.1560E+01 0.0030E+00\n1.6400E+01 0.1560E+01 0.0030E+00\n1.7200E+01 0.1560E+01 0.0030E+00\n1.8000E+01 0.1560E+01 0.0030E+00\n1.8500E+01 0.1560E+01 0.0030E+00\n2.0000E+01 0.1560E+01 0.0030E+00\n2.1300E+01 0.1560E+01 0.0030E+00\n2.2500E+01 0.1560E+01 0.0030E+00\n2.5000E+01 0.1560E+01 0.0030E+00\n2.7900E+01 0.1560E+01 0.0030E+00\n3.0000E+01 0.1560E+01 0.0030E+00\n3.5000E+01 0.1560E+01 0.0030E+00\n4.0000E+01 0.1560E+01 0.0030E+00\n" }, { "path": "UTIL/inline_phot_preproc/refractive_indices/adient_aerosol_refrac_indx/refract_soa_hadgem2.txt", "content": "SOA_HADGEM2\n! Refractive indices for Secondary organic aerosol (Dinar et al)\n!Wvelen(um) Real Part Imag Part\n2.0000E-01 0.1430E+01 0.0000E+00\n2.5000E-01 0.1430E+01 0.0000E+00\n3.0000E-01 0.1430E+01 0.0000E+00\n3.3700E-01 0.1430E+01 0.0000E+00\n4.0000E-01 0.1430E+01 0.0000E+00\n4.8800E-01 0.1430E+01 0.0000E+00\n5.1500E-01 0.1430E+01 0.0000E+00\n5.5000E-01 0.1430E+01 0.0000E+00\n6.3300E-01 0.1430E+01 0.0000E+00\n6.9400E-01 0.1430E+01 0.0000E+00\n8.6000E-01 0.1430E+01 0.0000E+00\n1.0600E+00 0.1430E+01 0.0000E+00\n1.3000E+00 0.1430E+01 0.0000E+00\n1.5360E+00 0.1430E+01 0.0000E+00\n1.8000E+00 0.1430E+01 0.0000E+00\n2.0000E+00 0.1430E+01 0.0000E+00\n2.2500E+00 0.1430E+01 0.0000E+00\n2.5000E+00 0.1430E+01 0.0000E+00\n2.7000E+00 0.1430E+01 0.0000E+00\n3.0000E+00 0.1430E+01 0.0000E+00\n3.2000E+00 0.1430E+01 0.0000E+00\n3.3920E+00 0.1430E+01 0.0000E+00\n3.5000E+00 0.1430E+01 0.0000E+00\n3.7500E+00 0.1430E+01 0.0000E+00\n4.0000E+00 0.1430E+01 0.0000E+00\n4.5000E+00 0.1430E+01 0.0000E+00\n5.0000E+00 0.1430E+01 0.0000E+00\n5.5000E+00 0.1430E+01 0.0000E+00\n6.0000E+00 0.1430E+01 0.0000E+00\n6.2000E+00 0.1430E+01 0.0000E+00\n6.5000E+00 0.1430E+01 0.0000E+00\n7.2000E+00 0.1430E+01 0.0000E+00\n7.9000E+00 0.1430E+01 0.0000E+00\n8.2000E+00 0.1430E+01 0.0000E+00\n8.5000E+00 0.1430E+01 0.0000E+00\n8.7000E+00 0.1430E+01 0.0000E+00\n9.0000E+00 0.1430E+01 0.0000E+00\n9.2000E+00 0.1430E+01 0.0000E+00\n9.5000E+00 0.1430E+01 0.0000E+00\n9.8000E+00 0.1430E+01 0.0000E+00\n1.0000E+01 0.1430E+01 0.0000E+00\n1.0591E+01 0.1430E+01 0.0000E+00\n1.1000E+01 0.1430E+01 0.0000E+00\n1.1500E+01 0.1430E+01 0.0000E+00\n1.2500E+01 0.1430E+01 0.0000E+00\n1.3000E+01 0.1430E+01 0.0000E+00\n1.4000E+01 0.1430E+01 0.0000E+00\n1.4800E+01 0.1430E+01 0.0000E+00\n1.5000E+01 0.1430E+01 0.0000E+00\n1.6400E+01 0.1430E+01 0.0000E+00\n1.7200E+01 0.1430E+01 0.0000E+00\n1.8000E+01 0.1430E+01 0.0000E+00\n1.8500E+01 0.1430E+01 0.0000E+00\n2.0000E+01 0.1430E+01 0.0000E+00\n2.1300E+01 0.1430E+01 0.0000E+00\n2.2500E+01 0.1430E+01 0.0000E+00\n2.5000E+01 0.1430E+01 0.0000E+00\n2.7900E+01 0.1430E+01 0.0000E+00\n3.0000E+01 0.1430E+01 0.0000E+00\n3.5000E+01 0.1430E+01 0.0000E+00\n4.0000E+01 0.1430E+01 0.0000E+00\n" }, { "path": "UTIL/inline_phot_preproc/refractive_indices/adient_aerosol_refrac_indx/refract_ssam_opac.txt", "content": "SSAM_OPAC\n! Ref. ind. for ss am from OPAC (interp)\n!Wvelen(um) Real Part Imag Part\n2.0000E-01 0.1510E+01 0.5000E-05\n2.5000E-01 0.1510E+01 0.5000E-05\n3.0000E-01 0.1510E+01 0.5000E-05\n3.3700E-01 0.1510E+01 0.7598E-06\n4.0000E-01 0.1500E+01 0.3000E-07\n4.8800E-01 0.1500E+01 0.1761E-07\n5.1500E-01 0.1500E+01 0.1385E-07\n5.5000E-01 0.1500E+01 0.1000E-07\n6.3300E-01 0.1490E+01 0.3342E-07\n6.9400E-01 0.1490E+01 0.1811E-06\n8.6000E-01 0.1480E+01 0.2622E-04\n1.0600E+00 0.1470E+01 0.1931E-03\n1.3000E+00 0.1468E+01 0.4004E-03\n1.5360E+00 0.1459E+01 0.5976E-03\n1.8000E+00 0.1450E+01 0.8096E-03\n2.0000E+00 0.1450E+01 0.1000E-02\n2.2500E+00 0.1440E+01 0.2500E-02\n2.5000E+00 0.1430E+01 0.4000E-02\n2.7000E+00 0.1502E+01 0.6400E-02\n3.0000E+00 0.1610E+01 0.1000E-01\n3.2000E+00 0.1490E+01 0.3000E-02\n3.3920E+00 0.1480E+01 0.2042E-02\n3.5000E+00 0.1480E+01 0.1600E-02\n3.7500E+00 0.1470E+01 0.1400E-02\n4.0000E+00 0.1480E+01 0.1400E-02\n4.5000E+00 0.1490E+01 0.1400E-02\n5.0000E+00 0.1470E+01 0.2500E-02\n5.5000E+00 0.1420E+01 0.3600E-02\n6.0000E+00 0.1410E+01 0.1100E-01\n6.2000E+00 0.1600E+01 0.2200E-01\n6.5000E+00 0.1460E+01 0.5000E-02\n7.2000E+00 0.1420E+01 0.7000E-02\n7.9000E+00 0.1400E+01 0.1300E-01\n8.2000E+00 0.1420E+01 0.2000E-01\n8.5000E+00 0.1480E+01 0.2600E-01\n8.7000E+00 0.1600E+01 0.3000E-01\n9.0000E+00 0.1650E+01 0.2800E-01\n9.2000E+00 0.1610E+01 0.2620E-01\n9.5000E+00 0.1580E+01 0.1800E-01\n9.8000E+00 0.1560E+01 0.1600E-01\n1.0000E+01 0.1540E+01 0.1500E-01\n1.0591E+01 0.1501E+01 0.1401E-01\n1.1000E+01 0.1480E+01 0.1400E-01\n1.1500E+01 0.1480E+01 0.1400E-01\n1.2500E+01 0.1420E+01 0.1600E-01\n1.3000E+01 0.1410E+01 0.1800E-01\n1.4000E+01 0.1410E+01 0.2300E-01\n1.4800E+01 0.1430E+01 0.3000E-01\n1.5000E+01 0.1450E+01 0.3500E-01\n1.6400E+01 0.1560E+01 0.9000E-01\n1.7200E+01 0.1740E+01 0.1200E+00\n1.8000E+01 0.1780E+01 0.1300E+00\n1.8500E+01 0.1770E+01 0.1350E+00\n2.0000E+01 0.1760E+01 0.1520E+00\n2.1300E+01 0.1760E+01 0.1650E+00\n2.2500E+01 0.1760E+01 0.1800E+00\n2.5000E+01 0.1760E+01 0.2050E+00\n2.7900E+01 0.1770E+01 0.2750E+00\n3.0000E+01 0.1770E+01 0.3000E+00\n3.5000E+01 0.1760E+01 0.5000E+00\n4.0000E+01 0.1740E+01 0.1000E+01\n" }, { "path": "UTIL/inline_phot_preproc/refractive_indices/adient_aerosol_refrac_indx/refract_sulphuric.txt", "content": "SULPHURIC\n!Refractive Index of 75 % Sulphuric Acid Droplets as given in SRA\n!Wvelen(um) Real Part Imag Part\n2.0000E-01 1.49800e+00 1.00000e-08\n2.5000E-01 1.48400e+00 1.00000e-08\n3.0000E-01 1.46900e+00 1.00000e-08\n3.3700E-01 1.45900e+00 1.00000e-08\n4.0000E-01 1.44000e+00 1.00000e-08\n4.8800E-01 1.43200e+00 1.00000e-08\n5.1500E-01 1.43100e+00 1.00000e-08\n5.5000E-01 1.43000e+00 1.00000e-08\n6.3300E-01 1.42900e+00 1.47000e-08\n6.9400E-01 1.42800e+00 1.99000e-08\n8.6000E-01 1.42500e+00 1.79000e-07\n1.0600E+00 1.42000e+00 1.50000e-06\n1.3000E+00 1.41000e+00 1.00000e-05\n1.5360E+00 1.40300e+00 1.37000e-04\n1.8000E+00 1.39000e+00 5.50000e-04\n2.0000E+00 1.38400e+00 1.26000e-03\n2.2500E+00 1.37000e+00 1.80000e-03\n2.5000E+00 1.34400e+00 3.76000e-03\n2.7000E+00 1.30300e+00 5.70000e-03\n3.0000E+00 1.29300e+00 9.55000e-02\n3.2000E+00 1.31100e+00 1.35000e-01\n3.3920E+00 1.35200e+00 1.59000e-01\n3.5000E+00 1.37600e+00 1.58000e-01\n3.7500E+00 1.39600e+00 1.31000e-01\n4.0000E+00 1.39800e+00 1.26000e-01\n4.5000E+00 1.38500e+00 1.20000e-01\n5.0000E+00 1.36000e+00 1.21000e-01\n5.5000E+00 1.33700e+00 1.83000e-01\n6.0000E+00 1.42500e+00 1.95000e-01\n6.2000E+00 1.42400e+00 1.65000e-01\n6.5000E+00 1.37000e+00 1.28000e-01\n7.2000E+00 1.21000e+00 1.76000e-01\n7.9000E+00 1.14000e+00 4.88000e-01\n8.2000E+00 1.20000e+00 6.45000e-01\n8.5000E+00 1.37000e+00 7.55000e-01\n8.7000E+00 1.53000e+00 7.72000e-01\n9.0000E+00 1.65000e+00 6.33000e-01\n9.2000E+00 1.60000e+00 5.86000e-01\n9.5000E+00 1.67000e+00 7.50000e-01\n9.8000E+00 1.91000e+00 6.80000e-01\n1.0000E+01 1.89000e+00 4.55000e-01\n1.0591E+01 1.72000e+00 3.40000e-01\n1.1000E+01 1.67000e+00 4.85000e-01\n1.1500E+01 1.89000e+00 3.74000e-01\n1.2500E+01 1.74000e+00 1.98000e-01\n1.3000E+01 1.69000e+00 1.95000e-01\n1.4000E+01 1.64000e+00 1.95000e-01\n1.4800E+01 1.61000e+00 2.05000e-01\n1.5000E+01 1.59000e+00 2.11000e-01\n1.6400E+01 1.52000e+00 4.14000e-01\n1.7200E+01 1.72400e+00 5.90000e-01\n1.8000E+01 1.95000e+00 4.10000e-01\n1.8500E+01 1.92700e+00 3.02000e-01\n2.0000E+01 1.82300e+00 2.35000e-01\n2.1300E+01 1.78000e+00 2.92000e-01\n2.2500E+01 1.87000e+00 3.15000e-01\n2.5000E+01 1.93000e+00 2.00000e-01\n2.7900E+01 1.92000e+00 1.80000e-01\n3.0000E+01 1.92000e+00 1.80000e-01\n3.5000E+01 1.90000e+00 1.90000e-01\n4.0000E+01 1.89000e+00 2.20000e-01\n" }, { "path": "UTIL/inline_phot_preproc/scripts/bldrun.inline_phot_preproc.csh", "content": "#!/bin/csh -fx\n\n# ============ CSQY_TABLE_PROCESSOR_v5.5.x Build Script ================= #\n# Usage: bldrun_create_ebi.csh [compiler] >&! bldrun_create_ebi.log #\n# Options for [compiler]: intel | gcc | pgi #\n# #\n# To report problems or request help with this script/program: #\n# http://www.cmascenter.org #\n# =================================================================== #\n\n# =======================================================================\n#> Preliminary error checking and environment configuration\n# =======================================================================\n\n#> Check that the host system is Linux-based\n set BLD_OS = `uname -s` \n if ($BLD_OS != 'Linux') then\n echo \" $BLD_OS -> wrong bldit script for host!\"\n exit 1\n endif\n\n#> Set Compiler Identity by User Input: Options -> intel | pgi | gcc\n if ( $#argv == 1 ) then\n setenv compiler $argv[1]\n setenv compilerVrsn Empty\n else if ( $#argv == 2 ) then\n #> Compiler Name and Version have been provided\n setenv compiler $1\n setenv compilerVrsn $2\n else\n setenv compiler intel\n setenv compilerVrsn Empty\n echo \"compiler and version not set\"\n echo \"usage: $0 \"\n echo \"setting compiler to intel\"\n endif\n\nset echo \n#> Source the config.cmaq file to set the build environment\n if( -e ../../../config_cmaq.csh )then\n cd ../../..\n source ./config_cmaq.csh\n else\n#work offline from CMAQ repository and build environment\n setenv offline \"Y\"\n setenv compilerString ${compiler}\n setenv CMAQ_HOME $cwd/..\n endif\n\n#> Source Code Repository\n if( ! ( $?offline ) )then\n setenv REPOROOT ${CMAQ_REPO}/UTIL/inline_phot_preproc #> location of the source code for CHEMMECH\n else\n setenv REPOROOT ${CMAQ_HOME}\n endif\n\nunset echo\n\n#===============================================================================\n#> Begin User Input Section \n#===============================================================================\n\n#> User choices: working directory and application ID\n if ( ! $?MECH ) then\n set MECH = 'cb6r3_ae7_aq'\n endif\n setenv CLEAR \"TRUE\" #> over-write existing output files\n\n if( ! ( $?offline ) )then\n set WORKDIR = ${CMAQ_HOME}/UTIL/inline_phot_preproc\n else\n set WORKDIR = ${CMAQ_HOME}\n endif\n if ( ! $?INPDIR ) then\n setenv INPDIR ${WORKDIR}/input/${MECH}\n endif\n if ( ! $?OUTDIR ) then\n setenv OUTDIR ${WORKDIR}/output/${MECH}\n endif\n\n set VRSN = v55 #> model version\n setenv EXEC CSQY_TABLE_PROCESSOR_${VRSN}.exe #> executable name for this application\n setenv WORKREPO ${REPOROOT}\n setenv BLDIR ${WORKDIR}/scripts/BLD_CSQY_TABLE_${VRSN}_${compilerString}\n#============================================================================================\n#> Set locations for source code and templates\n#============================================================================================\n\n set SRCDIR = ${WORKREPO}/src\n\n# Define environment variable for path to data module for photochemical mechanism\n# RXNS_DATA is the input directory containing the mechanism's data module\n# value will change based on user's goals. If the file is not found, this script\n# will check the output for CHEMMECH, and then check the CMAQ_REPO. If it is in \n# neither of those places, the script aborts.\n\n#> use RXNS_DATA_MODULE, comment out if CMAQ v5.02 and keep if CMAQ v5.1 or higher\n setenv USE_RXNS_MODULES T\n if( ${USE_RXNS_MODULES} == \"T\" )then\n setenv RXNS_DATA_SRC ${INPDIR}/RXNS_DATA_MODULE.F90\n\n if ( ! -e ${RXNS_DATA_SRC} ) then\n echo 'Below RXNS_DATA_MODULE input file does not exist'\n echo ${RXNS_DATA_SRC}\n exit 1\n endif\n endif \n\n#============================================================================================\n#> Copy CSQY_TABLE_PROCESSOR Source Code into new build folder and compile\n#============================================================================================\n \n if ( -e \"$BLDIR\" ) then\n echo \" *** build directory exist, deleting it***\"\n \\rm -rf $BLDIR\n endif\n mkdir -pv $BLDIR\n \n#> Whether to include spectral values of refractive indices for aerosol species [T|Y|F|N]\n#> set F if CMAQ v5.02 and T if CMAQ v5.1 or higher\n setenv WVL_AE_REFRAC T\n\n#> whether optical and CSQY data written to two separate file\n#> set F if CMAQ v5.02 and T if CMAQ v5.1 or higher\n setenv SPLIT_OUTPUT T\n\n#>Number of Wavebands to write to output files starting from the band with the longest\n#>to shortest wavelength from the bands; can equal 1 to 18\n#>Waveband intervals come from FAST-JX version 6.8\n#>CMAQ version 5.3+ uses seven bands and CMAQ-MPAS uses eleven bands\nsetenv N_WAVEBANDS_OUT 7\n\n#>Compile the Executable\n cp -r ${SRCDIR}/* ${BLDIR}/.\n cd $BLDIR ; make clean; make -f inline_phot_preproc.makefile\n if( ! ( -e ${EXEC} ) )then\n echo \"failed to compile ${BLDIR}/${EXEC}\"\n exit 1\n endif\n\n#set up input data file directories\n set CSQY_DIR = ${WORKREPO}/photolysis_CSQY_data\n set REFRACT_DIR = ${WORKREPO}/refractive_indices\n set WVBIN_DIR = ${WORKREPO}/flux_data\n set ICE_CLOUDS_DIR = ${WORKREPO}/ice_clouds\n\n set data_paths = ( ${CSQY_DIR} ${REFRACT_DIR} ${WVBIN_DIR} ${ICE_CLOUDS_DIR} )\n foreach data_dir ( ${data_paths} )\n if( ! ( -e ${data_dir} ) )cp -r $data_dir ${WORKDIR}/.\n end\n\n# Define environment variables for inputs\n#Wavelength bin mapping data file\n setenv WVBIN_FILE $WVBIN_DIR/wavel-bins.dat\n\n#Files describing optical properties of ice cloud particles\n setenv ICE_CLD_SSA ${ICE_CLOUDS_DIR}/fu96.ssa\n setenv ICE_CLD_EXT ${ICE_CLOUDS_DIR}/fu96.ext\n setenv ICE_CLD_ASY ${ICE_CLOUDS_DIR}/fu96.asy\n setenv ICE_CLD_DEL ${ICE_CLOUDS_DIR}/fu96.del\n\n#Solar flux spectrum data file\n setenv FLUX_FILE $WVBIN_DIR/solar-p05nm-UCI.dat\n#Raw cross-section and quantum yield data for photolysis rates\n setenv CSQY_DATA_RAW $CSQY_DIR\n\n#> define files for aerosol refractive indices; result output to PHOT_OPTICS.dat\n # maximum number of indices that the processor attempts to read, \n # the number can change. \n setenv MAX_NUMB_REFRACT 16\n\n # set the list of indices to process, \n # Their number can be less than MAX_NUMB_REFRACT.\n # The below list contains names used as optical surrogates in the CCTM source\n # code, AERO_DATA.F. To use other names requires changing AERO_DATA.F.\n setenv AE_REFRAC_LIST \"WATER SOLUTE DUST SEASALT SOOT ISOP_NOX ISOP_SOX LIMONENE_SOA APINENE_SOA NAPTH_SOA MXYL_HIGH_NOX MXYL_LOW_NOX TOLU_HIGH_NOX TOLU_LOW_NOX ORGCARB BIOMASS\"\n\n#Set environment variables for the paths to each refractive index in\n#AE_REFRAC_LIST \n setenv WATER ${REFRACT_DIR}\"/water_refractive_index.dat\"\n setenv DUST ${REFRACT_DIR}\"/OPAC_water_clouds/inso00\" \n setenv SOLUTE ${REFRACT_DIR}\"/OPAC_water_clouds/waso00\" \n setenv SOOT ${REFRACT_DIR}\"/OPAC_water_clouds/soot00-two_way-Oct_21_2012\"\n setenv SEASALT ${REFRACT_DIR}\"/OPAC_water_clouds/ssam00\" \n setenv ISOP_NOX ${REFRACT_DIR}\"/IE_refractive_indices/nakayama_2018_isoprene_NOX_SOA_refractive_indices.txt\"\n setenv ISOP_SOX ${REFRACT_DIR}\"/IE_refractive_indices/nakayama_2018_isoprene_SOX_SOA_refractive_indices.txt\"\n setenv LIMONENE_SOA ${REFRACT_DIR}\"/IE_refractive_indices/Lui_2013_Limonene_SOA_refractive_indices.txt\"\n setenv APINENE_SOA ${REFRACT_DIR}\"/IE_refractive_indices/Lui_2013_APIN_SOA_refractive_indices.txt\"\n setenv NAPTH_SOA ${REFRACT_DIR}\"/IE_refractive_indices/Lambe_2013-naphthalene_SOA_refractive_indices.txt\"\n setenv MXYL_HIGH_NOX ${REFRACT_DIR}\"/IE_refractive_indices/Lui_2015_refractive_indices_mxylene_SOA_high_NOX.txt\"\n setenv MXYL_LOW_NOX ${REFRACT_DIR}\"/IE_refractive_indices/Lui_2015_refractive_indices_mxylene_SOA_low_NOX.txt\"\n setenv TOLU_HIGH_NOX ${REFRACT_DIR}\"/IE_refractive_indices/Lui_2015_refractive_indices_toluene_SOA_high_NOX.txt\"\n setenv TOLU_LOW_NOX ${REFRACT_DIR}\"/IE_refractive_indices/Lui_2015_refractive_indices_toluene_SOA_low_NOX.txt\"\n setenv ORGCARB ${REFRACT_DIR}\"/adient_aerosol_refrac_indx/refract_organicc_new.txt\"\n setenv BIOMASS ${REFRACT_DIR}\"/adient_aerosol_refrac_indx/refract_biomass_new.txt\"\n\n#Define output directory variable and create\n if( ( -d $OUTDIR ) )then\n if( -e ${OUTDIR}/CSQY_DATA_${MECH} && -e ${OUTDIR}/PHOT_OPTICS.dat )then\n if( $CLEAR == \"FALSE\")then\n echo \"Previous output exists; set CLEAR to TRUE to delete\"\n exit(1)\n endif\n \\rm -rf $OUTDIR\n endif\n endif\n mkdir -p $OUTDIR\n setenv OUT_DIR $OUTDIR\n \n# Execute CSQY_TABLE_PROCESSOR\n#cd ${WORKDIR}\n $BLDIR/$EXEC >&! ${WORKDIR}/scripts/bldrun.log\n set signal = ` tail -1 ${WORKDIR}/scripts/bldrun.log `\necho \" \"\n echo ${signal}\n set output = $signal # `grep \"NORMAL_STOP\" bldrun.log `\n echo $output\necho \" \"\n\n#cd ${WORKDIR}/scripts\n\n if ( $? != 0 || $output != \"NORMAL_STOP\" ) then\n echo \"INLINE_PHOT_PREPROC ($BLDIR/$EXEC) failed for some reason. Halt Build Process!\"\n echo \"Try checking end of ${WORKDIR}/scripts/bldrun.log\"\n exit 1\n endif\n\n cd $WORKDIR\n\necho \" \"\necho \" \"\nif( ( -e ${OUTDIR}/CSQY_DATA_${MECH} ) && -e ${OUTDIR}/PHOT_OPTICS.dat )then\n echo \"CSQY_DATA_${MECH} and PHOT_OPTICS.dat files created. Check each in ${OUTDIR}\"\nelse if( ( -e ${OUTDIR}/CSQY_DATA_* ) && -e ${OUTDIR}/PHOT_OPTICS.dat )then\n cd ${OUTDIR}\n set OFILE = `/usr/bin/ls CSQY_DATA_* `\n cd -\n echo \"CSQY_DATA_${MECH} file not created.\"\n echo \"HOWEVER, ${OFILE} FILE WAS CREATED.\"\n echo \"Try changing mechanism name in the mech_${MECH}.def file.\"\n echo \"Else check end of ${WORKDIR}/scripts/bldrun.log\"\nelse\n echo \"CSQY_DATA_${MECH} and PHOT_OPTICS.dat files not created.\"\n echo \"Check end of ${WORKDIR}/scripts/bldrun.log\"\nendif\necho \" \"\necho \" \"\n\n" }, { "path": "UTIL/inline_phot_preproc/src/ALBEDO_REFER_DATA.F", "content": " MODULE ALBEDO_REFER_DATA\n \n IMPLICIT NONE\n\n INTEGER, PARAMETER :: NUMB_BANDS_MODIS = 15\n INTEGER, PARAMETER :: NUMB_LANDUSE_MODIS = 20\n\n REAL( 4 ) :: WVBAND( NUMB_BANDS_MODIS )\n DATA WVBAND / \n & 200.05, 234.3, 264.8, 292.1, 310.5,\n & 340.0, 397.5, 467.5, 546.25, 642.3,\n & 1000.0, 1550.0, 2150.0, 3000.0, 3750.0 /\n\n INTEGER, PRIVATE :: IWL \n REAL( 4 ) :: SPECTRAL_ALBEDO(NUMB_BANDS_MODIS,NUMB_LANDUSE_MODIS)\n DATA (SPECTRAL_ALBEDO(IWL, 1), IWL = 1, NUMB_BANDS_MODIS) / \n & 0.032, 0.032, 0.032, 0.032, 0.032, ! (1) EVERGREEN NEEDLE FOREST\n & 0.032, 0.032, 0.032, 0.046, 0.046, \n & 0.235, 0.096, 0.038, 0.038, 0.038 /\n\n DATA (SPECTRAL_ALBEDO(IWL, 2), IWL = 1, NUMB_BANDS_MODIS) / \n & 0.044, 0.044, 0.044, 0.044, 0.044, ! ( 2) EVERGREEN BROADLEAF FOR\n & 0.044, 0.044, 0.044, 0.044, 0.044, ! (Tropical Forest)\n & 0.234, 0.193, 0.112, 0.112, 0.112 /\n\n DATA (SPECTRAL_ALBEDO(IWL, 3), IWL = 1, NUMB_BANDS_MODIS) / \n & 0.032, 0.032, 0.032, 0.032, 0.032, ! ( 3) DECIDUOUS NEEDLE FOREST\n & 0.032, 0.032, 0.032, 0.046, 0.046, \n & 0.235, 0.096, 0.038, 0.038, 0.038 / \n\n DATA (SPECTRAL_ALBEDO(IWL, 4), IWL = 1, NUMB_BANDS_MODIS) / \n & 0.034, 0.034, 0.034, 0.034, 0.034, ! ( 4) DECIDUOUS BROADLEAF FOR\n & 0.034, 0.034, 0.034, 0.066, 0.067, \n & 0.312, 0.276, 0.160, 0.160, 0.160 / \n\n DATA (SPECTRAL_ALBEDO(IWL, 5), IWL = 1, NUMB_BANDS_MODIS) / \n & 0.033, 0.033, 0.033, 0.033, 0.033, ! ( 5) MIXED FOREST\n & 0.033, 0.033, 0.033, 0.056, 0.057, \n & 0.274, 0.186, 0.099, 0.099, 0.099 /\n\n DATA (SPECTRAL_ALBEDO(IWL, 6), IWL = 1, NUMB_BANDS_MODIS) / \n & 0.010, 0.010, 0.010, 0.015, 0.017, ! ( 6) CLOSED SHRUBS\n & 0.020, 0.036, 0.045, 0.055, 0.156, \n & 0.350, 0.239, 0.101, 0.101, 0.101 /\n\n DATA (SPECTRAL_ALBEDO(IWL, 7), IWL = 1, NUMB_BANDS_MODIS) / \n & 0.095, 0.095, 0.095, 0.095, 0.095, ! ( 7) OPEN/SHRUBS\n & 0.095, 0.098, 0.104, 0.122, 0.157, \n & 0.231, 0.330, 0.311, 0.150, 0.150 /\n\n DATA (SPECTRAL_ALBEDO(IWL, 8), IWL = 1, NUMB_BANDS_MODIS) / \n & 0.020, 0.020, 0.020, 0.023, 0.024, ! ( 8) WOODY SAVANNA (Decid Broadleaf*0.4 + Grass*0.6)\n & 0.026, 0.035, 0.041, 0.102, 0.104, \n & 0.366, 0.291, 0.151, 0.107, 0.107 /\n\n DATA (SPECTRAL_ALBEDO(IWL, 9), IWL = 1, NUMB_BANDS_MODIS) / \n & 0.010, 0.010, 0.010, 0.015, 0.017, ! ( 9) SAVANNA \n & 0.020, 0.036, 0.045, 0.126, 0.129, \n & 0.402, 0.301, 0.145, 0.071, 0.071 /\n\n DATA (SPECTRAL_ALBEDO(IWL, 10), IWL = 1, NUMB_BANDS_MODIS) / \n & 0.010, 0.010, 0.010, 0.015, 0.017, ! (10) GRASSLAND \n & 0.020, 0.036, 0.045, 0.126, 0.129, \n & 0.402, 0.301, 0.145, 0.071, 0.071 /\n\n DATA (SPECTRAL_ALBEDO(IWL, 11), IWL = 1, NUMB_BANDS_MODIS) / \n & 0.039, 0.039, 0.039, 0.039, 0.039, ! (11) PERMANENT WETLANDS\n & 0.039, 0.039, 0.039, 0.051, 0.071, \n & 0.164, 0.100, 0.056, 0.056, 0.056 /\n\n DATA (SPECTRAL_ALBEDO(IWL, 12), IWL = 1, NUMB_BANDS_MODIS) / \n & 0.010, 0.010, 0.010, 0.015, 0.017, ! (12) CROPLAND \n & 0.020, 0.036, 0.045, 0.115, 0.099, \n & 0.442, 0.271, 0.122, 0.059, 0.059 / \n\n DATA (SPECTRAL_ALBEDO(IWL, 13), IWL = 1, NUMB_BANDS_MODIS) / \n & 0.052, 0.052, 0.052, 0.052, 0.052, ! (13) URBAN\n & 0.052, 0.052, 0.066, 0.104, 0.114, \n & 0.304, 0.258, 0.258, 0.258, 0.258 /\n\n DATA (SPECTRAL_ALBEDO(IWL, 14), IWL = 1, NUMB_BANDS_MODIS) / \n & 0.010, 0.010, 0.010, 0.015, 0.017, ! (14) CROP MOSAIC\n & 0.020, 0.036, 0.045, 0.090, 0.083, \n & 0.377, 0.273, 0.141, 0.110, 0.110 /\n\n DATA (SPECTRAL_ALBEDO(IWL, 15), IWL = 1, NUMB_BANDS_MODIS) / \n & 0.910, 0.910, 0.910, 0.916, 0.921, ! (15) PERMANENT SNOW \n & 0.931, 0.947, 0.964, 0.953, 0.920, \n & 0.635, 0.013, 0.006, 0.009, 0.014 / \n\n DATA (SPECTRAL_ALBEDO(IWL, 16), IWL = 1, NUMB_BANDS_MODIS) / \n & 0.144, 0.144, 0.144, 0.144, 0.144, ! (16) BARREN/DESERT\n & 0.144, 0.144, 0.179, 0.263, 0.331, \n & 0.405, 0.390, 0.390, 0.390, 0.390 /\n\n DATA (SPECTRAL_ALBEDO(IWL, 17), IWL = 1, NUMB_BANDS_MODIS) / \n & 0.066, 0.066, 0.066, 0.070, 0.073, ! (17) OCEAN WATER\n & 0.082, 0.094, 0.091, 0.078, 0.072, \n & 0.066, 0.062, 0.055, 0.044, 0.069 /\n\n DATA (SPECTRAL_ALBEDO(IWL, 18), IWL = 1, NUMB_BANDS_MODIS) / \n & 0.180, 0.180, 0.180, 0.180, 0.180, ! (18) TUNDRA (modified with Lundberg et al)\n & 0.180, 0.180, 0.180, 0.180, 0.180, \n & 0.247, 0.265, 0.265, 0.265, 0.265 /\n\n DATA (SPECTRAL_ALBEDO(IWL, 19), IWL = 1, NUMB_BANDS_MODIS) / \n & 0.979, 0.979, 0.979, 0.980, 0.982, ! (19) FRESH SNOW \n & 0.984, 0.988, 0.992, 0.989, 0.982, \n & 0.902, 0.143, 0.168, 0.019, 0.015 / \n\n DATA (SPECTRAL_ALBEDO(IWL, 20), IWL = 1, NUMB_BANDS_MODIS) / \n & 0.778, 0.778, 0.778, 0.778, 0.778, ! (20) SEA ICE\n & 0.778, 0.778, 0.778, 0.778, 0.752, \n & 0.393, 0.055, 0.054, 0.036, 0.036 /\n \n! The following scale factors are applied to the spectral albedos to bring\n! them into closer agreement (in the visible spectrum) with the MODIS fixed albedos \n\n REAL(4) :: MODIS2SPECTRAL(NUMB_LANDUSE_MODIS)\n DATA MODIS2SPECTRAL /\n & 3.5, ! (1)\n & 2.5, ! (2)\n & 4.0, ! (3)\n & 2.5, ! (4)\n & 3.0, ! (5)\n & 3.0, ! (6)\n & 2.0, ! (7)\n & 2.5, ! (8)\n & 1.5, ! (9)\n & 2.0, ! (10)\n & 2.0, ! (11)\n & 1.5, ! (12)\n & 1.5, ! (13)\n & 2.5, ! (14)\n & 1.0, ! (15)\n & 1.0, ! (16)\n & 1.0, ! (17)\n & 1.0, ! (18)\n & 1.0, ! (19)\n & 1.0 / ! (20)\n\n \n \n CHARACTER(30) LANDUSE(20)\n \n DATA LANDUSE /\n & 'EVERGREEN NEEDLE FOREST'\n & ,'EVERGREEN BROADLEAF FOREST'\n & ,'DECIDUOUS NEEDLE FOREST'\n & ,'DECIDUOUS BROADLEAF FOREST'\n & ,'MIXED FOREST'\n & ,'CLOSED SHRUBS'\n & ,'OPEN / SHRUBS'\n & ,'WOODY SAVANNA'\n & ,'SAVANNA'\n & ,'GRASSLAND'\n & ,'PERMANENT WETLANDS'\n & ,'CROPLAND'\n & ,'URBAN'\n & ,'CROP MOSAIC'\n & ,'PERMANENT SNOW'\n & ,'BARREN / DESSERT'\n & ,'OCEAN WATER'\n & ,'TUNDRA'\n & ,'FRESH SNOW'\n & ,'SEA ICE' /\n \n INTEGER, PARAMETER :: INDEX_GRASSLAND = 10\n INTEGER, PARAMETER :: INDEX_OCEAN_WATER = 17\n INTEGER, PARAMETER :: INDEX_SEA_ICE = 20\n \n REAL ZENITH_COEFF( NUMB_LANDUSE_MODIS )\n DATA ZENITH_COEFF /\n & 0.40, ! ( 1) EVERGREEN NEEDLE FOR \n & 0.44, ! ( 2) EVERGREEN BROAD FOR \n & 0.32, ! ( 3) DECIDUOUS NEEDLE FOR\n & 0.39, ! ( 4) DECIDUOUS BROAD FOR\n & 0.22, ! ( 5) MIXED FOREST\n & 0.28, ! ( 6) CLOSED SHRUBS\n & 0.40, ! ( 7) OPEN/SHRUBS\n & 0.47, ! ( 8) WOODY SAVANNA\n & 0.53, ! ( 9) SAVANNA\n & 0.53, ! (10) GRASSLAND\n & 0.35, ! (11) WETLAND\n & 0.41, ! (12) CROPLAND (CAGEX-APR)\n & 0.10, ! (13) URBAN\n & 0.40, ! (14) CROP MOSAIC\n & 0.10, ! (15) ANTARCTIC SNOW\n & 0.40, ! (16) BARREN/DESERT\n & 0.41, ! (17) OCEAN WATER\n & 0.58, ! (18) TUNDRA\n & 0.10, ! (19) FRESH SNOW\n & 0.10 / ! (20) SEA ICE\n\n REAL SEASON_COEFF( NUMB_LANDUSE_MODIS )\n DATA SEASON_COEFF /\n & 0.73, ! EVERGREEN NEEDLE FOR\n & 0.84, ! EVERGREEN BROADLEAF FOR\n & 0.77, ! DECIDUOUS NEEDLE FOR\n & 0.73, ! DECIDOUS BROAD FOR\n & 0.78, ! MIXED FOREST\n & 0.73, ! CLOSED SHRUBS\n & 0.77, ! OPEN/SHRUBS\n & 0.78, ! WOODY SAVANNA\n & 0.78, ! SAVANNA\n & 0.79, ! GRASSLAND\n & 0.78, ! WETLAND\n & 0.80, ! CROPLAND\n & 0.67, ! URBAN\n & 0.80, ! CROP MOSAIC\n & 1.00, ! PERMANENT SNOW\n & 0.96, ! BARREN/DESERT\n & 1.00, ! OCEAN WATER\n & 0.25, ! TUNDRA\t\t(modified with Lundberg et al (2005))\n & 1.00, ! FRESH SNOW\n & 1.00 / ! SEA ICE\n\n! values used for CMAQ version 5.0 and 5.01\n!\n! REAL SNOW_COEFF( NUMB_LANDUSE_MODIS )\n! DATA SNOW_COEFF /\n! & 3.0, ! EVERGREEN NEEDLE FOR\n! & 4.1, ! EVERGREEN BROADLEAF FOR\n! & 3.1, ! DECIDUOUS NEEDLE FOR\n! & 2.7, ! DECIDUOUS BROADLEAF FOR\n! & 3.0, ! MIXED FOREST\n! & 2.2, ! CLOSED SHRUBS\n! & 3.6, ! OPEN/SHRUBS\n! & 2.1, ! WOODY SAVANNA\n! & 3.0, ! SAVANNA\n! & 3.8, ! GRASSLAND\n! & 4.9, ! WETLAND\n! & 4.5, ! CROPLAND\n! & 3.6, ! URBAN\n! & 3.6, ! CROP MOSAIC\n! & 1.7, ! PERMANENT SNOW\n! & 3.5, ! BARREN/DESERT\n! & 1.0, ! OCEAN WATER\n! & 4.0, ! TUNDRA\t\t(modified with Lundberg et al (2005))\n! & 1.0, ! FRESH SNOW\n! & 1.3 / ! SEA ICE\n\n! Aug 27, 2013 B. Hutzell: Updated WOODY SAVANNA, SAVANNA, GRASSLAND, CROPLAND, \\\n! CROP MOSAIC, and BARREN/DESERT to increase albedo in UV spectrum. Based on\n! 1) Jin et. al (2002), GRL, Vol 29(10), pg 1374-7.\n! 2) Tanskanen and Manninen (2007), Atmos. Chem. Phys., Vol 7, pg 2759-2764.\n\n REAL SNOW_COEFF( NUMB_LANDUSE_MODIS )\n DATA SNOW_COEFF /\n & 3.0, ! EVERGREEN NEEDLE FOR\n & 4.1, ! EVERGREEN BROADLEAF FOR\n & 3.1, ! DECIDUOUS NEEDLE FOR\n & 2.7, ! DECIDUOUS BROADLEAF FOR\n & 3.0, ! MIXED FOREST\n & 8.6, ! CLOSED SHRUBS\n & 3.6, ! OPEN/SHRUBS\n & 7.8, ! WOODY SAVANNA\n & 25.9, ! SAVANNA\n & 19.6, ! GRASSLAND\n & 4.9, ! WETLAND\n & 26.5, ! CROPLAND\n & 3.6, ! URBAN\n & 15.9, ! CROP MOSAIC\n & 1.7, ! PERMANENT SNOW\n & 5.7, ! BARREN/DESERT\n & 1.0, ! OCEAN WATER\n & 4.0, ! TUNDRA\t\t(modified with Lundberg et al (2005))\n & 1.0, ! FRESH SNOW\n & 1.3 / ! SEA ICE\n\t \n INTEGER, PARAMETER :: NUMB_USGS = 24\n \n CHARACTER(60) USGS_LANDUSE( NUMB_USGS )\n DATA USGS_LANDUSE /\n & \"Urban Land\", ! 'Urban or Built-up Land',\n & \"Dryland Cropland and Pasture\", ! 'Dryland Cropland and Pasture',\n & \"Irrigated Cropland and Pasture\", ! 'Irrigated Cropland and Pasture',\n & \"Mixed Dryland and Irrigated Cropland and Pasture\", ! 'Mixed Dry/Irr Crop and Past',\n & \"Cropland-Grassland Mosaic\", ! 'Grassland/Cropland Mosaic',\n & \"Cropland-Woodland Mosaic\", ! 'Woodland/Cropland Mosaic',\n & \"Grassland\", ! 'Grassland',\n & \"Shrubland\", ! 'Shrubland',\n & \"Mixed Shrubland-Grassland\", ! 'Mixed Shrubland/Grassland',\n & \"Savannah\", ! 'Savanna',\n & \"Deciduous Broadleaf Forest\", ! 'Broadleaf Deciduous Forest',\n & \"Deciduous Needleleaf Forest\", ! 'Deciduous Coniferous Forest',\n & \"Evergreen Broadleaf Forest\", ! 'Evergreen Broadleaf Forest (Palm?)',\n & \"Evergreen Needleleaf Forest\", ! 'Evergreen Coniferous Forest',\n & \"Mixed Forest\", ! 'Mixed forest',\n & \"Water\", ! 'Water',\n & \"Herbaceous Wetland\", ! 'Herbaceous Wetland (none in east)',\n & \"Wooded Wetland\", ! 'Forested Wetlands (e.g. Everglades)',\n & \"Barren or Sparsely Vegetated\", ! 'Barren or Sparsely Vegetated',\n & \"Herbaceous Tundra\", ! 'Herbaceous Tundra',\n & \"Wooded Tundra\", ! 'Shrub and Brush Tundra',\n & \"Mixed Tundra\", ! 'Mixed Tundra',\n & \"Bare Ground Tundra\", ! 'Bare Ground Tundra',\n & \"Snow or Ice\" / ! 'Perennial Snowfields or Glaciers' /\n\n! values used for CMAQ version 5.0 and 5.01\n! \n! REAL :: ALBMAP_REF2USGS( NUMB_USGS )\n! DATA ALBMAP_REF2USGS /\n! & 13.0000, 12.0000, 12.0000, 12.0000, 14.0000,\n! & 14.0000, 10.0000, 6.0000, 7.0000, 9.0000,\n! & 4.0000, 3.0000, 2.0000, 1.0000, 5.0000,\n! & 17.0000, 11.0000, 11.0000, 16.0000, 18.0000,\n! & 18.0000, 18.0000, 18.0000, 15.0000/\n\n\n! Aug 27, 2013 B. Hutzell: changed albmap for ALBMAP_REF2USGS Shrubland from 7 (CLODSED SHRUBS) to\n! 6 (OPEN SHRUB) because descriptions of Shrubland allow large fractions of \n! non-woody plants (up to 70%). \n\n REAL :: ALBMAP_REF2USGS( NUMB_USGS )\n DATA ALBMAP_REF2USGS /\n & 13.0000, 12.0000, 12.0000, 12.0000, 14.0000,\n & 14.0000, 10.0000, 7.0000, 7.0000, 9.0000,\n & 4.0000, 3.0000, 2.0000, 1.0000, 5.0000,\n & 17.0000, 11.0000, 11.0000, 16.0000, 18.0000,\n & 18.0000, 18.0000, 18.0000, 15.0000/\n\n REAL :: ALBFAC_REF2USGS( NUMB_USGS )\n DATA ALBFAC_REF2USGS /\n & 1.0000, 1.0000, 1.0588, 1.0588, 1.0000,\n & 0.8889, 1.0000, 1.0000, 1.0000, 1.0000,\n & 1.0000, 1.0000, 1.0000, 1.0000, 1.0000,\n & 1.0000, 1.0000, 1.0000, 1.0000, 1.0000,\n & 1.0000, 1.0000, 1.0000, 1.0000/\n \n! INTEGER, PARAMETER :: NUMB_MODIS = 20\n! \n! REAL :: ALBMAP_REF2MODIS( NUMB_MODIS )\n! DATA ALBMAP_REF2MODIS /\n! & 1.0000, 2.0000, 3.0000, 4.0000, 5.0000,\n! & 6.0000, 7.0000, 8.0000, 9.0000, 10.0000,\n! & 11.0000, 12.0000, 13.0000, 14.0000, 15.0000,\n! & 16.0000, 17.0000, 18.0000, 18.0000, 18.0000/\n \n! REAL :: ALBFAC_REF2MODIS( NUMB_MODIS )\n! DATA ALBFAC_REF2MODIS /\n! & 1.0000, 1.0000, 1.0000, 1.0000, 1.0000,\n! & 1.0000, 1.0000, 1.0000, 1.0000, 1.0000,\n! & 1.0000, 1.0000, 1.0000, 1.0000, 1.0000,\n! & 1.0000, 1.0000, 1.0000, 1.0000, 1.0000/\n\n INTEGER, PARAMETER :: NUMB_MODIS_NOAH = 33\n\n\n CHARACTER(60) MODIS_LANDUSE( NUMB_MODIS_NOAH )\n DATA MODIS_LANDUSE /\n & \"Evergreen Needleleaf Forest\", ! 'EVERGREEN NEEDLE FOREST',\n & \"Evergreen Broadleaf Forest\", ! 'EVERGREEN BROADLEAF FOREST',\n & \"Deciduous Needleleaf Forest\", ! 'DECIDUOUS NEEDLE FOREST',\n & \"Deciduous Broadleaf Forest\", ! 'DECIDUOUS BROADLEAF FOREST',\n & \"Mixed Forests\", ! 'MIXED FOREST',\n & \"Closed Shrublands\", ! 'CLOSED SHRUBS',\n & \"Open Shrublands\", ! 'OPEN / SHRUBS',\n & \"Woody Savannas\", ! 'WOODY SAVANNA',\n & \"Savannas\", ! 'SAVANNA',\n & \"Grasslands\", ! 'GRASSLAND',\n & \"Permanent Wetlands\", ! 'PERMANENT WETLANDS',\n & \"Croplands\", ! 'CROPLAND',\n & \"Urban and Built-Up\", ! 'URBAN',\n & \"Cropland-Natural Vegetation Mosaic\", ! 'CROP MOSAIC',\n & \"Snow and Ice\", ! 'PERMANENT SNOW',\n & \"Barren or Sparsely Vegetated\", ! 'BARREN / DESSERT',\n & \"Water\", ! 'OCEAN WATER',\n & \"Wooded Tundra\", ! 'TUNDRA',\n & \"Mixed Tundra\", ! 'FRESH SNOW',\n & \"Barren Tundra\", ! 'SEA ICE' / \n & \"~~~unassigned~~~\",\n & \"~~~unassigned~~~\",\n & \"~~~unassigned~~~\",\n & \"~~~unassigned~~~\",\n & \"~~~unassigned~~~\",\n & \"~~~unassigned~~~\",\n & \"~~~unassigned~~~\",\n & \"~~~unassigned~~~\",\n & \"~~~unassigned~~~\",\n & \"~~~unassigned~~~\",\n & \"Low Intensity Residential\",\n & \"High Intensity Residential\",\n & \"Industrial or Commercial\" /\n\n REAL :: ALBMAP_REF2MODIS( NUMB_MODIS_NOAH )\n DATA ALBMAP_REF2MODIS /\n & 1.0000, 2.0000, 3.0000, 4.0000, 5.0000,\n & 6.0000, 7.0000, 8.0000, 9.0000, 10.0000,\n & 11.0000, 12.0000, 13.0000, 14.0000, 15.0000,\n & 16.0000, 17.0000, 18.0000, 18.0000, 18.0000,\n & -1.0000, -1.0000, -1.0000, -1.0000, -1.0000,\n & -1.0000, -1.0000, -1.0000, -1.0000, -1.0000,\n & 13.0000, 13.0000, 13.0000/\n \n REAL :: ALBFAC_REF2MODIS( NUMB_MODIS_NOAH )\n DATA ALBFAC_REF2MODIS /\n & 1.0000, 1.0000, 1.0000, 1.0000, 1.0000,\n & 1.0000, 1.0000, 1.0000, 1.0000, 1.0000,\n & 1.0000, 1.0000, 1.0000, 1.0000, 1.0000,\n & 1.0000, 1.0000, 1.0000, 1.0000, 1.0000,\n & 0.0000, 0.0000, 0.0000, 0.0000, 0.0000,\n & 0.0000, 0.0000, 0.0000, 0.0000, 0.0000,\n & 1.0000, 1.0000, 1.0000 /\n\n \n INTEGER, PARAMETER :: NUMB_NLCD_MODIS = 50\n \n CHARACTER(60) NLCD_LANDUSE( NUMB_NLCD_MODIS )\n DATA NLCD_LANDUSE /\n & \"Open Water\", ! 'Open water',\n & \"Perennial Ice-Snow\", ! 'Perennial Ice/snow ',\n & \"Developed Open Space\", ! 'Developed, Open space ',\n & \"Developed Low Intensity\", ! 'Developed, Low Intensity',\n & \"Developed Medium Intensity\", ! 'Developed, Medium Intensity',\n & \"Developed High Intensity\", ! 'Developed, High Intensity',\n & \"Barren Land (Rock-Sand-Clay)\", ! 'Barren land',\n & \"Unconsolidated Shore\", ! 'Unconsolidated Shore',\n & \"Deciduous Forest\", ! 'Deciduous Forest',\n & \"Evergreen Forest\", ! 'Evergreen Forest',\n & \"Mixed Forest\", ! 'Mixed Forest',\n & \"Dwarf Scrub\", ! 'Dwarf Scrub',\n & \"Shrub-Scrub\", ! 'Shrub/Scrub',\n & \"Grassland-Herbaceous\", ! 'Grassland/Herbaceous',\n & \"Sedge-Herbaceous\", ! 'Sedge/Herbaceous',\n & \"Lichens\", ! 'Lichens',\n & \"Moss\", ! 'Moss',\n & \"Tundra\", ! 'Tundra',\n & \"Pasture-Hay\", ! 'Pasture/Hay',\n & \"Cultivated Crops\", ! 'Cultivated Crops',\n & \"Woody Wetlands\", ! 'Woody Wetland',\n & \"Palustrine Forested Wetland\", ! 'Palustrine Forested Wetland',\n & \"Palustrine Scrub-Shrub Wetland\", ! 'Palustrine Scrub/Shrub Wetland',\n & \"Estuarine Forested Wetland\", ! 'Estuarine Forested Wetland',\n & \"Estuarine Scrub-Shrub Wetland\", ! 'Estuarine Scrub/Shrub Wetland',\n & \"Emergent Herbaceous Wetlands\", ! 'Emergent Herbaceous Wetland',\n & \"Palustrine Emergent Wetland\", ! 'Palustrine Emergent Wetland',\n & \"Estuarine Emergent Wetland\", ! 'Estuarine Emergent Wetland',\n & \"Palustrine Aquatic Bed\", ! 'Palustrine Aquatic Bed',\n & \"Estuarine Aquatic Bed\", ! 'Estuarine Aquatic Bed',\n & \"Water\", ! 'Open water (mapped to 1)',\n & \"Evergreen Needleleaf Forest\", ! 'Evergreen Needleleaf Forest',\n & \"Evergreen Broadleaf Forest\", ! 'Evergreen Broadleaf Forest',\n & \"Deciduous Needleleaf Forest\", ! 'Deciduous Needleleaf Forest',\n & \"Deciduous Broadleaf Forest\", ! 'Deciduous Broadleaf Forest',\n & \"Mixed Forests\", ! 'Mixed Forest',\n & \"Closed Shrublands\", ! 'Closed Shrublands',\n & \"Open Shrublands\", ! 'Open Shrublands',\n & \"Woody Savannas\", ! 'Woody Savanna',\n & \"Savannas\", ! 'Savanna',\n & \"Grasslands\", ! 'Grasslands',\n & \"Permanent Wetlands\", ! 'Perminent Wetlands',\n & \"Croplands\", ! 'Croplands',\n & \"Urban and Built Up\", ! 'Urban andBuilt-up',\n & \"Cropland-Natural Vegetation Mosaic\", ! 'Cropland/Natural Vegetation Mosaic',\n & \"Permanent Snow and Ice\", ! 'Snow and Ice',\n & \"Barren or Sparsely Vegetated\", ! 'Barren or Sparsely Vegetated',\n & \"IGBP Water\", ! 'IGBP water',\n & \"unclassified\", ! 'unclassified',\n & \"fill value\" / ! 'fill value (normally ocean water)' /\n \n REAL :: ALBMAP_REF2NLCD( NUMB_NLCD_MODIS )\n DATA ALBMAP_REF2NLCD /\n O 17.0000, 15.0000, 13.0000, 13.0000, 13.0000,\n + 13.0000, 16.0000, 16.0000, 4.0000, 1.0000,\n 1 5.0000, 7.0000, 7.0000, 8.0000, 8.0000,\n + 10.0000, 10.0000, 18.0000, 14.0000, 12.0000,\n 2 11.0000, 11.0000, 11.0000, 11.0000, 11.0000,\n + 11.0000, 11.0000, 11.0000, 17.0000, 17.0000,\n 3 17.0000, 1.0000, 2.0000, 3.0000, 4.0000,\n + 5.0000, 6.0000, 7.0000, 8.0000, 9.0000,\n 4 10.0000, 11.0000, 12.0000, 13.0000, 14.0000,\n + 15.0000, 16.0000, 17.0000, 17.0000, 17.0000/\n \n REAL :: ALBFAC_REF2NLCD( NUMB_NLCD_MODIS )\n DATA ALBFAC_REF2NLCD /\n O 1.0000, 1.0000, 1.0667, 1.1333, 1.0667,\n + 1.1333, 0.8000, 1.4000, 0.9375, 0.8333,\n 1 1.0000, 1.0000, 1.0000, 1.1364, 1.0455,\n + 1.0526, 1.0526, 1.0000, 1.2778, 1.1765,\n 2 1.0714, 1.0714, 1.0714, 1.0714, 1.0714,\n + 1.2857, 1.2857, 1.2857, 1.2500, 1.2500,\n 3 1.0000, 1.0000, 1.0000, 1.0000, 1.0000,\n + 1.0000, 1.0000, 1.0000, 1.0000, 1.0000,\n 4 1.0000, 1.0000, 1.0000, 1.0000, 1.0000,\n + 1.0000, 1.0000, 1.0000, 1.0000, 1.0000/\n \n INTEGER, PARAMETER :: NUMB_NLCD40_MODIS = 40\n \n CHARACTER(60) NLCD40_LANDUSE( NUMB_NLCD40_MODIS )\n DATA NLCD40_LANDUSE /\n & \"Evergreen Needleleaf Forest \",\n & \"Evergreen Broadleaf Forest \",\n & \"Deciduous Needleleaf Forest \",\n & \"Deciduous Broadleaf Forest \",\n & \"Mixed Forests \",\n & \"Closed Shrublands \",\n & \"Open Shrublands \",\n & \"Woody Savannas \",\n & \"Savannas \",\n & \"Grasslands \",\n & \"Permanent Wetlands \",\n & \"Croplands \",\n & \"Urban and Built Up \",\n & \"Cropland-Natural Vegetation Mosaic \",\n & \"Permanent Snow and Ice \",\n & \"Barren or Sparsely Vegetated \",\n & \"IGBP Water \",\n & \"unclassified \",\n & \"fill value \",\n & \"unclassified \",\n & \"Open Water \",\n & \"Perennial Ice-Snow \",\n & \"Developed Open Space \",\n & \"Developed Low Intensity \",\n & \"Developed Medium Intensity \",\n & \"Developed High Intensity \",\n & \"Barren Land (Rock-Sand-Clay) \",\n! & \"Unconsolidated Shore \",\n & \"Deciduous Forest \",\n & \"Evergreen Forest \",\n & \"Mixed Forest \",\n & \"Dwarf Scrub \",\n & \"Shrub-Scrub \",\n & \"Grassland-Herbaceous \",\n & \"Sedge-Herbaceous \",\n & \"Lichens \",\n & \"Moss \",\n & \"Pasture-Hay \",\n & \"Cultivated Crops \",\n & \"Woody Wetlands \",\n & \"Emergent Herbaceous Wetlands \" /\n \n REAL :: ALBMAP_REF2NLCD40( NUMB_NLCD40_MODIS )\n DATA ALBMAP_REF2NLCD40 /\n & 1.000, 2.000, 3.000, 4.000, 5.000, 6.000, 7.000, 8.000, \n & 9.000, 10.000, 11.000, 12.000, 13.000, 14.000, 15.000, 16.000,\n & 17.000, 17.000, 17.000, 17.000, 17.000, 15.000, 13.000, 13.000,\n! & 17.000, 17.000, 17.000, 17.000, 15.000, 13.000, 13.000, 13.000, \n & 13.000, 13.000, 16.000, 4.000, 1.000, 5.000, 7.000, 7.000, \n! & 13.000, 16.000, 16.000, 4.000, 1.000, 5.000, 7.000, 7.000, \n & 8.000, 8.000, 10.000, 10.000, 14.000, 12.000, 11.000, 11.000 / \n\n\n! REAL :: ALBFAC_REF2NLCD40( NUMB_NLCD40_MODIS )\n! DATA ALBFAC_REF2NLCD40 /\n! & 1.000, 1.000, 1.000, 1.000, 1.000, 1.000, 1.000, 1.000, 1.000,\n! & 1.000, 1.000, 1.000, 1.000, 1.000, 1.000, 1.000, 1.000,\n! & 1.000, 1.000, 1.000, 1.000, 1.067, 1.133, 1.067, 1.133,\n! & 0.800, 1.400, 0.938, 0.833, 1.000, 1.000, 1.000, 1.136,\n! & 1.046, 1.053, 1.053, 1.278, 1.176, 1.071, 1.286 /\n \n REAL :: ALBFAC_REF2NLCD40( NUMB_NLCD40_MODIS )\n DATA ALBFAC_REF2NLCD40 /\n & 1.000, 1.000, 1.000, 1.000, 1.000, 1.000, 1.000, 1.000, 1.000,\n & 1.000, 1.000, 1.000, 1.000, 1.000, 1.000, 1.000, 1.000,\n & 1.000, 1.000, 1.000, 1.000, 1.000, 1.067, 1.133, 1.067,\n! & 1.000, 1.000, 1.000, 1.000, 1.067, 1.133, 1.067, 1.133,\n & 1.133, 0.800, 0.938, 0.833, 1.000, 1.000, 1.000, 1.136,\n! & 0.800, 1.400, 0.938, 0.833, 1.000, 1.000, 1.000, 1.136,\n & 1.046, 1.053, 1.053, 1.278, 1.176, 1.071, 1.286 /\n\n\n END MODULE ALBEDO_REFER_DATA\n \n \n \n \n \n\n \n" }, { "path": "UTIL/inline_phot_preproc/src/BIN_DATA.f", "content": " MODULE BIN_DATA\n\n IMPLICIT NONE\n\n integer, parameter :: NBO = 100\n integer, parameter :: NSO = 40000\n! integer, parameter :: NSO = 4463\n integer, parameter :: NZO = 13550\n integer, parameter :: NJO = 18\n\n INTEGER, SAVE :: N_LOW_JXBANDS = 11 ! band structure for CMAQ release models\n! INTEGER, SAVE :: N_LOW_JXBANDS = 6 ! band structure for MPAS-CMAQ models\n INTEGER, SAVE :: NJO_NEW \n INTEGER, SAVE :: N_INLINE_BAND \n\n INTEGER, SAVE :: NB, J1, J2, K1, K2 ! array limits and markers\n INTEGER, SAVE :: NB_NEW, J1_NEW, J2_NEW, K1_NEW, K2_NEW ! array limits and markers\n\n REAL(8), SAVE :: SRB(15,NJO)\n REAL(8), SAVE :: WBIN(NBO + 1 )\n INTEGER, SAVE :: IJX(NBO)\n INTEGER, SAVE :: IBINJ(NSO)\n\n REAL(8), ALLOCATABLE, SAVE :: WBIN_NEW( : )\n INTEGER, SAVE :: IBINJ_NEW(NSO)\n\n REAL, ALLOCATABLE, SAVE :: W(:), F(:)\n REAL, ALLOCATABLE, SAVE :: WL(:), WU(:), WC(:)\n\n! FASTJX has 18 bins but the wavelength interval of the bins can overlap\n\n REAL, SAVE :: STR_WV_FASTJX( NJO + 2 ) ! nm, starting wavelength of FASTJ intervals\n DATA STR_WV_FASTJX \n & / 177.5, 177.5, 177.5, 177.5, 202.5, 206.5, 209.5, \n & 212.5, 215.5, 221.5, 233.0, 275.5, 286.5, 291.0,\n & 298.3, 307.5, 312.5, 320.3, 345.0, 412.5 /\n\n REAL, SAVE :: END_WV_FASTJX( NJO + 2 ) ! nm, ending wavelength of FASTJ intervals\n DATA END_WV_FASTJX \n & / 202.5, 202.5, 202.5, 202.5, 206.5, 209.5, 212.5, \n & 215.5, 221.5, 233.0, 275.5, 286.5, 291.0, 298.3, \n & 307.5, 312.5, 320.3, 345.0, 412.5, 850.0 /\n\n INTEGER, SAVE :: FASTJX_BIN( NJO + 2 ) ! FASTJX bin number for the intervals\n DATA FASTJX_BIN \n & / 1, 2, 3, 4, 5, 6, 7,\n & 8, 11, 10, 9, 10, 11, 12,\n & 13, 14, 15, 16, 17, 18 /\n! Effective Center wavelengths for 18 bins of FASTJX, not mean bin edges\n!w-eff (nm) 187. 191. 193. 196. 202. 208.\n! 211. 214. 261. 267. 277. 295.\n! 303. 310. 316. 333. 380. 574.\n\n REAL, SAVE :: EFF_WV_FASTJX( NJO ) ! nm \n DATA EFF_WV_FASTJX \n & / 187.0, 191.0, 193.0, 196.0, 202.0, 208.0,\n & 211.0, 214.0, 261.0, 267.0, 277.0, 295.0,\n & 303.0, 310.0, 316.0, 333.0, 380.0, 574.0 /\n\n REAL, ALLOCATABLE, SAVE :: EFFECTIVE_LAMBDA( : ) ! nm\n REAL, ALLOCATABLE, SAVE :: EFFECTIVE_WVNUMB( : ) ! 1/cm\n\t \n REAL, ALLOCATABLE, SAVE :: SOLAR_PHOTONS( : ) ! solar photon flux in bin, photons/cm2/s\n \n INTEGER, PARAMETER :: NWV_REGRESS = 27\n\n REAL, SAVE :: ENDWL_REGRESS( nwv_regress ) ! wavelength band upper limit\n REAL, SAVE :: MIDWL_REGRESS( nwv_regress ) ! wavelength midpoints\n REAL, SAVE :: STWL_REGRESS( nwv_regress ) ! wavelength band lower limit\n\n REAL, ALLOCATABLE, SAVE :: ENDWL_NEW( : ) ! wavelength band upper limit\n REAL, ALLOCATABLE, SAVE :: MIDWL_NEW( : ) ! wavelength midpoints\n REAL, ALLOCATABLE, SAVE :: STWL_NEW( : ) ! wavelength band lower limit\n INTEGER, ALLOCATABLE, SAVE :: NEWX_BIN( : ) ! bin number for the intervals\n INTEGER, ALLOCATABLE, SAVE :: IJX_CALC(:)\n INTEGER, ALLOCATABLE, SAVE :: IJX_BIN_NEW(:)\n REAL(8), ALLOCATABLE, SAVE :: SRB_NEW(:, :)\n\n INTEGER, SAVE :: NWV_NEW ! number of new bins\n\n! LOGICAL, PARAMETER :: USE_REGRESS = .TRUE. ! .TRUE. ! .FALSE.\n LOGICAL, PARAMETER :: USE_REGRESS = .FALSE. ! .TRUE. ! .FALSE.\n LOGICAL, SAVE :: CHANGE_WBIN = .FALSE. \n\n\n!\n CONTAINS\n\n SUBROUTINE INIT_BIN_DATA()\n\n USE GET_ENV_VARS\n\n IMPLICIT NONE\n\n INTEGER :: I, J, K, L ! index counters\n INTEGER :: STRT, FINI\n INTEGER :: ITT_CALC\n INTEGER :: STAT\n\n LOGICAL, SAVE :: DEFINED = .FALSE.\n\n REAL(8), PARAMETER :: TINY = 0.06D0\n REAL(8), ALLOCATABLE :: FBIN( : )\n REAL(8), ALLOCATABLE :: FBIN_AVE( : )\n REAL(8), ALLOCATABLE :: ABIN( : )\n INTEGER, ALLOCATABLE :: SBIN( : )\n\n REAL(8), ALLOCATABLE :: FFBIN( : )\n REAL(8), ALLOCATABLE :: FFBIN_AVE( : )\n REAL(8), ALLOCATABLE :: AABIN( : )\n REAL, ALLOCATABLE :: SSBIN( : )\n REAL(8) :: DELTA\n\n CHARACTER(16) :: PNAME = ' INIT_BIN_DATA '\n\n CHARACTER(255) :: EQNAME\n CHARACTER(586) :: EQFILE\n INTEGER :: LASTNB1\n INTEGER :: LASTNB2\n INTEGER :: IOUNIT = 125\n \n CHARACTER(586) :: WVBIN_FILE = 'WVBIN_FILE' ! 'wavel-bins.dat'\n CHARACTER(586) :: FLUX_FILE = 'FLUX_FILE' ! 'solar-p05nm-UCI.dat'\n CHARACTER(16) :: NBANDS_OUT = 'N_WAVEBANDS_OUT' ! Number of wavebands for output files\n\n\n\n IF( DEFINED )RETURN\n\n DEFINED = .TRUE.\n\n! get path to wavelength bin data file \n EQNAME = TRIM( WVBIN_FILE )\n CALL VALUE_NAME( EQNAME, WVBIN_FILE )\n OPEN (UNIT = IOUNIT, FILE= WVBIN_FILE, STATUS='OLD')\n\n SRB = 0.0D0\n read(IOUNIT,'(i5)') NB\n\n if (NB .gt. NBO)THEN\n PRINT*,'NB exceeds ',NBO,' in file wavel-bins.dat '\n stop\n ENDIF\n\n read(IOUNIT,'(5x,f8.3)') (WBIN(I), I=1,NB+1)\n read(IOUNIT,*)\n read(IOUNIT,*)\n read(IOUNIT,'(2x,15f5.1)') ((SRB(I,J),I=1,15),J=1,8)\n read(IOUNIT,*)\n read(IOUNIT,'(5x,i5)') (IJX(I),I=16,NB)\n close (IOUNIT)\n\n! write(6,'(2x,15f5.1)') ((SRB(I,J),I=1,15),J=1,NJO)\n\n IF( USE_REGRESS )CHANGE_WBIN = .TRUE.\n \n IF( CHANGE_WBIN )THEN\n\n STRT = 64\n FINI = NB\n\n DELTA = 0.50D0\n L = INT((WBIN(FINI) - WBIN(STRT))*DELTA) \n\n NB_NEW = STRT + L + ( NB - FINI ) \n\n ALLOCATE( WBIN_NEW( NB_NEW + 1 ) )\n \n WBIN_NEW = 0.0D0\n \n WBIN_NEW( 1 : STRT ) = WBIN( 1 : STRT )\n \n DO I = (STRT + 1), (L + STRT + 1)\n WBIN_NEW( I ) = WBIN_NEW( I - 1 ) + DELTA\n ENDDO\n\n DO I = 1, (NB - FINI)\n WBIN_NEW( I + L + STRT + 1) = WBIN( I + FINI ) \n ENDDO\n \n IF( WBIN_NEW( NB_NEW ) .NE. WBIN(NB) )THEN\n WBIN_NEW( NB_NEW ) = WBIN(NB)\n ENDIF\n WBIN_NEW( NB_NEW + 1 ) = WBIN(NB+1)\n\n ALLOCATE( FBIN( NB_NEW + 1 ) )\n ALLOCATE( FBIN_AVE( NB_NEW + 1 ) )\n ALLOCATE( ABIN( NB_NEW + 1 ) )\n ALLOCATE( SBIN( NB_NEW + 1 ) )\n ALLOCATE( IJX_BIN_NEW( NB_NEW + 1 ) ) \n ALLOCATE( IJX_CALC( NB_NEW + 1 ) ) \n\n ELSE\n \n NB_NEW = NB\n \n ALLOCATE( WBIN_NEW( SIZE( WBIN ) ) ) \n ALLOCATE( FBIN( NBO ) )\n ALLOCATE( FBIN_AVE( NBO ) )\n ALLOCATE( ABIN( NBO ) )\n ALLOCATE( SBIN( NBO ) )\n ALLOCATE( IJX_BIN_NEW( NBO ) ) \n ALLOCATE( IJX_CALC( NBO ) ) \n\n WBIN_NEW = WBIN \n\n ENDIF\n\n WRITE(6,'(I4,2X,F7.2,2X,F7.2)')(I,WBIN_NEW(I),WBIN_NEW(I+1),I=1,NB_NEW)\n\n\n ALLOCATE(W(NSO), F(NSO))\n\n! get path to flux spectrum data file \n EQNAME = TRIM( FLUX_FILE )\n CALL VALUE_NAME( EQNAME, FLUX_FILE )\n open (UNIT = IOUNIT, file = FLUX_FILE, status = 'OLD')\n read(IOUNIT,*)\n read(IOUNIT,*)\n read(IOUNIT,'(f10.4,e10.3)') (W(J),F(J), J=1,NSO)\n close (IOUNIT)\n\n ALLOCATE(WC(NSO), WL(NSO), WU(NSO))\n\n I = 1\n WC( 1 ) = REAL( W( 1 ) )\n WL( 1 ) = REAL( W( 1 ) - 0.5D0*( W(2)-W(1) ) )\n WU( 1 ) = REAL( 0.5D0*(W( 2 ) + W( 1 )) )\n\n DO I = 2, NSO-1\n WC( I ) = REAL(W( I ))\n WL( I ) = REAL(0.5D0*(W( I ) + W(I-1)))\n WU( I ) = REAL(0.5D0*(W(I+1) + W( I )))\n ENDDO\n \n I = NSO\n WC( NSO ) = REAL( W( NSO ) )\n WU( NSO ) = REAL( W(NSO) + 0.5D0*( W(NSO)-W(NSO-1) ) )\n WL( NSO ) = REAL(0.5*(W( NSO ) + W(NSO-1)))\n\n\n! DO I = 1, NSO\n! WC( I ) = REAL(W( I ))\n! WL( I ) = WC( I ) - 0.025\n! WU( I ) = WC( I ) + 0.025\n! ENDDO\n \n\n! initialize the regress wavelength bins\n STWL_REGRESS(1) = 287.5\n MIDWL_REGRESS(1) = 290.0\n ENDWL_REGRESS(1) = 292.5\n\n do i = 2, 23\n STWL_REGRESS(i) = STWL_REGRESS(i-1) + 5.0\n MIDWL_REGRESS(i) = MIDWL_REGRESS(i-1) + 5.0\n ENDWL_REGRESS(i) = ENDWL_REGRESS(i-1) + 5.0\n enddo\n\n STWL_REGRESS(24) = ENDWL_REGRESS(23)\n MIDWL_REGRESS(24) = 450.0\n ENDWL_REGRESS(24) = 500.0\n do i = 25, nwv_regress\n STWL_REGRESS(i) = ENDWL_REGRESS(i-1)\n MIDWL_REGRESS(i) = MIDWL_REGRESS(i-1) + 100.0\n ENDWL_REGRESS(i) = ENDWL_REGRESS(i-1) + 100.0\n enddo\n\n do i = 1, nwv_regress\n WRITE(6,'(i3,2(2x,f6.2))')i,STWL_REGRESS(i),ENDWL_REGRESS(i)\n enddo\n\n\n\n! find where regress bins start and stop in FASTJX bins\n\n if( STR_WV_FASTJX( 1 ) .gt. STWL_REGRESS(1) )THEN\n print*,'ERROR 1 in finding starting point '\n stop\n endif\n\n if( END_WV_FASTJX( NJO + 2 ) .lt. STWL_REGRESS(1) )THEN\n print*,'ERROR 2 in finding starting point '\n stop\n endif\n \n LOOP_START: do J = 1, NJO + 2\n if( STR_WV_FASTJX( J ) .ge. STWL_REGRESS(1) )THEN\n STRT = J - 1\n EXIT LOOP_START\n ENDIF\n if( J .eq. (NJO + 2) )THEN\n print*,'ERROR 3 in finding starting point '\n stop\n endif\n ENDDO LOOP_START\n\n\n FINI = NJO + 2\n LOOP_STOP: do K = 1, NJO + 2\n if( END_WV_FASTJX( J ) .gt. ENDWL_REGRESS(nwv_regress) )THEN\n FINI = K \n EXIT LOOP_STOP\n ENDIF\n ENDDO LOOP_STOP\n\n\n IF( FINI .EQ. ( NJO + 2 ) )THEN\n\n IF(INT(END_WV_FASTJX(FINI))\n & .NE.INT(ENDWL_REGRESS(nwv_regress)))THEN\n print*,'Resetting ENDWL_REGRESS(last) to END_WV_FASTJX(last) '\n print*,' INT(END_WV_FASTJX(FINI)) = ',INT(END_WV_FASTJX(FINI))\n print*,' INT(ENDWL_REGRESS(nwv_regress)) = ',\n & INT(ENDWL_REGRESS(nwv_regress))\n ENDWL_REGRESS(nwv_regress) = END_WV_FASTJX(FINI)\n ENDIF\n \n ENDIF\n \n IF( USE_REGRESS )THEN\n NWV_NEW = STRT + nwv_regress + ( NJO + 2 - FINI )\n NJO_NEW = NWV_NEW - 2\n ELSE\n NWV_NEW = NJO + 2 \n NJO_NEW = NJO\n ENDIF\n\n N_INLINE_BAND = NJO_NEW - N_LOW_JXBANDS\n N_INLINE_BAND = GET_ENV_INT( NBANDS_OUT, ' ', N_INLINE_BAND, STAT)\n IF( STAT .EQ. 0 )THEN\n N_LOW_JXBANDS = NJO_NEW - N_INLINE_BAND\n END IF\n\n IF( N_INLINE_BAND .LE. 0 )THEN\n WRITE(6,*)TRIM(PNAME) // 'ERROR: ' // TRIM( NBANDS_OUT ) //\n & ' <= 0 '\n WRITE(6,*)'Total number of bands = ',NJO_NEW\n! WRITE(6,*)'Number of high frequency bands = ', N_LOW_JXBANDS\n WRITE(6,*)'Requested Number of Wavebands = ',N_INLINE_BAND\n STOP\n ELSE IF( N_INLINE_BAND .GT. NJO_NEW )THEN\n WRITE(6,*)TRIM(PNAME) // 'ERROR: ' // TRIM( NBANDS_OUT ) // \n & ' greater Total Number of Bands'\n WRITE(6,*)'Total number of bands = ',NJO_NEW\n! WRITE(6,*)'Number of high frequency bands = ', N_LOW_JXBANDS\n WRITE(6,*)'Requested Number of Wavebands = ',N_INLINE_BAND\n STOP\n ELSE\n WRITE(6,*)'Requested Number of Wavebands = ',N_INLINE_BAND\n WRITE(6,*)'Total number of bands = ',NJO_NEW\n END IF\n \n ALLOCATE( FFBIN( NJO_NEW ) )\n ALLOCATE( FFBIN_AVE( NJO_NEW ) )\n ALLOCATE( AABIN( NJO_NEW ) )\n ALLOCATE( SSBIN( NJO_NEW ) )\n\n \n ALLOCATE( STWL_NEW ( NWV_NEW ) ) \n ALLOCATE( MIDWL_NEW ( NWV_NEW ) ) \n ALLOCATE( ENDWL_NEW ( NWV_NEW ) ) \n ALLOCATE( NEWX_BIN ( NWV_NEW ) ) \n ALLOCATE( SRB_NEW ( 15, NJO_NEW ) )\n\n MIDWL_NEW = 0.0\n\n ALLOCATE( EFFECTIVE_LAMBDA( NJO_NEW ) )\n ALLOCATE( EFFECTIVE_WVNUMB( NJO_NEW ) )\n ALLOCATE( SOLAR_PHOTONS( NJO_NEW ) )\n\n IF( USE_REGRESS )THEN\n\n IF( FINI .EQ. ( NJO + 2 ) )THEN \n \n STWL_NEW( 1:STRT ) = STR_WV_FASTJX( 1:STRT )\n STWL_NEW( (STRT+1):NWV_NEW ) = STWL_REGRESS( 1:nwv_regress )\n\n ENDWL_NEW( 1:(STRT-1) ) = END_WV_FASTJX( 1:(STRT-1) )\n ENDWL_NEW( STRT ) = STWL_REGRESS( 1 )\n ENDWL_NEW( (STRT+1):NWV_NEW ) = ENDWL_REGRESS( 1:nwv_regress )\n\n NEWX_BIN( 1:STRT ) = FASTJX_BIN(1:STRT )\n DO I = STRT+1, NWV_NEW\n NEWX_BIN( I ) = NEWX_BIN( I - 1 ) + 1\n ENDDO\n \n\n ELSE\n\n J = STRT + nwv_regress\n STWL_NEW( 1:STRT ) = STR_WV_FASTJX( 1:STRT )\n STWL_NEW( (STRT+1): J ) = STWL_REGRESS( 1:nwv_regress )\n STWL_NEW( J + 1 ) = ENDWL_REGRESS( nwv_regress )\n STWL_NEW( (J+2):NWV_NEW ) = STR_WV_FASTJX( FINI:(NBO + 2 ) )\n\n \n ENDWL_NEW( 1:(STRT-1) ) = END_WV_FASTJX( 1:(STRT-1) )\n ENDWL_NEW( STRT ) = STWL_REGRESS( 1 )\n ENDWL_NEW( (STRT+1):J ) = ENDWL_REGRESS( 1:nwv_regress )\n ENDWL_NEW( J+1:NWV_NEW ) = END_WV_FASTJX( FINI:(NBO + 2) )\n\n NEWX_BIN( 1:STRT ) = FASTJX_BIN(1:STRT )\n DO I = STRT+1, NWV_NEW\n NEWX_BIN( I ) = NEWX_BIN( I -1 ) + 1\n! print*,i,NEWX_BIN( I )\n ENDDO\n\n ENDIF\n\n\n ELSE\n\n STWL_NEW = STR_WV_FASTJX\n ENDWL_NEW = END_WV_FASTJX\n NEWX_BIN = FASTJX_BIN\n \n ENDIF\n\n print*,NWV_NEW \n do i = 1, NWV_NEW\n J = i ! NEWX_BIN(I)\n MIDWL_NEW( J ) = 0.5*( STWL_NEW(J) + ENDWL_NEW(J) )\n! WRITE(6,'(i3,3(2x,f6.2),2x,i3)')i,STWL_NEW(J),MIDWL_NEW( J ),\n! & ENDWL_NEW(J),NEWX_BIN(I)\n enddo\n\n IJX_CALC = 0\n \n DO I = 16, NB_NEW\n DO J = 1, NJO + 2\n IF(WBIN_NEW(I)+TINY .GE. STR_WV_FASTJX(J) \n & .AND. WBIN_NEW(I)-TINY .LT. END_WV_FASTJX(J))THEN\n IJX_CALC( I ) = FASTJX_BIN ( J )\n ENDIF\n ENDDO\n if(NB_NEW .EQ. NB )THEN\n print*,I,' IJX_CALC(I) - IJX(I) = ', IJX_CALC(I) - IJX(I)\n ENDIF\n DO J = 1, NWV_NEW\n IF(WBIN_NEW(I)+TINY .GE. STWL_NEW(J) \n & .AND. WBIN_NEW(I)-TINY .LT. ENDWL_NEW(J))THEN\n IJX_BIN_NEW( I ) = NEWX_BIN ( J )\n ENDIF\n ENDDO\n ENDDO\n! print*,'IJX for FASTJX bins'\n! WRITE(6,'(i5,2x,i5,2x,F6.2,2x,F6.2)') \n! & (I,IJX_CALC(I),WBIN_NEW(I),WBIN_NEW(I+1),I=16,NB_NEW)\n! print*,'IJX for New bins'\n! WRITE(6,'(i5,2x,i5,2x,F6.2,2x,F6.2)') \n! & (I,IJX_BIN_NEW(I),WBIN_NEW(I),WBIN_NEW(I+1),I=16,NB_NEW)\n\n\n\n\n \n SRB_NEW = 0.0D0\n DO I = 1, 15\n DO J = 1, 8\n SRB_NEW( I, J) = SRB( I, J)\n ENDDO\n ENDDO\n\n\nC---now assign bin_new #(I=1,NB_NEW) to each p05nm microbin J (1:40000)\n\n IBINJ_NEW = 0\n do I=1,NB_NEW\n do J=1,NSO\n if (W(J) .gt. WBIN_NEW(I)) goto 110\n enddo\n J = NSO + 1\n110 J1_NEW = J\n do J=J1_NEW,NSO\n if (W(J) .gt. WBIN_NEW(I+1)) goto 120\n enddo\n J = NSO + 1\n120 J2_NEW = J-1\n do J=J1_NEW,J2_NEW\n IBINJ_NEW(J) = I\n enddo\n enddo\n\nc---now assign bin #(I=1:77) to each p05nm microbin J (1:40000)\n\n IBINJ = 0\n do I=1,NB\n do J=1,NSO\n if (W(J) .gt. WBIN(I)) goto 11\n enddo\n J = NSO + 1\n11 J1 = J\n do J=J1,NSO\n if (W(J) .gt. WBIN(I+1)) goto 12\n enddo\n J = NSO + 1\n12 J2 = J-1\n do J=J1,J2\n IBINJ(J) = I\n enddo\n enddo\n\n K1 = 1\n K2 = NSO\n\n K1_NEW = 1\n K2_NEW = NSO\n\nc--- find flux-weighted effective wavelength over the bins\n FBIN(:) = 0.0d0\n ABIN(:) = 0.0d0 \n SBIN(:) = 0\n do J=K1,K2\n K = J - K1 + 1\n I = IBINJ_NEW(J)\n if (I .gt. 0) then\n FBIN(I) = FBIN(I) + F(J)\n ABIN(I) = ABIN(I) + F(J)*REAL(1.0/WC(J), 8)\n SBIN(I) = SBIN(I) + 1\n endif\n enddo\n\n do I=1,NB_NEW\n if (FBIN(I) .gt. 0.d0)ABIN(I) = ABIN(I)/FBIN(I)\n if (SBIN(I) .gt. 0)FBIN_AVE(I)= FBIN(I)/REAL(SBIN(I),8)\n enddo\n\n\n FFBIN(:) = 0.0D0\n AABIN(:) = 0.0D0\n FFBIN_AVE( : ) = 0.0D0\n SSBIN(:) = 0.0\n\n do I=16,NB_NEW\n! J = IJX(I)\n! J = IJX_CALC(I)\n J = IJX_BIN_NEW( I )\n FFBIN(J) = FFBIN(J) + FBIN(I)\n AABIN(J) = AABIN(J) + FBIN(I)*ABIN(I)\n FFBIN_AVE(J) = FFBIN_AVE(J) + FBIN_AVE(I)\n SSBIN(J) = 1 + SSBIN(J)\n enddo\n\n\n do I=1,15\n do J=1,NJO_NEW\n FFBIN(J) = FFBIN(J) + FBIN(I)*SRB_NEW(I,J)\n AABIN(J) = AABIN(J) + FBIN(I)*ABIN(I)*SRB_NEW(I,J)\n SSBIN(J) = SRB_NEW(I,J) + SSBIN(J)\n FFBIN_AVE(J) = FFBIN_AVE(J) + FBIN_AVE(I)*SRB_NEW(I,J)\n enddo\n enddo\n\n do J=1,NJO_NEW\n if(SSBIN(J) .gt. 0.0)FFBIN_AVE(J) = FFBIN_AVE(J)/REAL(SSBIN(J),8)\n if(FFBIN(J) .gt. 0.d0)THEN\n\t EFFECTIVE_LAMBDA(J) = REAL(FFBIN(J)/AABIN(J))\n\t EFFECTIVE_WVNUMB(J) = 1.0E7 / EFFECTIVE_LAMBDA(J)\n\t end if\n WRITE(6,'(A18,I3,A4,F6.1,2X,A25,ES12.4)')\n & 'EFFECTIVE_LAMBDA(',J,') = ',EFFECTIVE_LAMBDA(J),\n & 'Mean Solar Photons = ',FFBIN_AVE(J)\n SOLAR_PHOTONS( J ) = FFBIN(J)\n enddo\n\n print*,' completed INIT_BIN_DATA '\n \n \n RETURN\n END SUBROUTINE INIT_BIN_DATA\n END MODULE BIN_DATA\n" }, { "path": "UTIL/inline_phot_preproc/src/CHECK_CSQY_DATA.F", "content": "!------------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies !\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!------------------------------------------------------------------------!\n\n\n\n!:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n MODULE CHECK_CSQY_DATA\n\n IMPLICIT NONE\n\n CHARACTER( 32 ), SAVE :: JTABLE_REF\n\n INTEGER, SAVE :: NPHOT_REF ! # ref phot reactions \n INTEGER, SAVE :: NTEMP_REF ! # ref temperatures \n INTEGER, SAVE :: NWL_REF ! # ref wavelengths \n\n!...Names of the mapped photolysis reactions (available to chemical)\n!... mechanisms) and their pointers to the reference photolysis rxn\n\n CHARACTER( 16 ), ALLOCATABLE, SAVE :: PNAME_REF( : )\n\n!...Setup the Mapping from CMAQ chemical reactions to the reference data\n\n INTEGER, SAVE :: NPHOT_MAP ! # phot mapped reactions \n\n CHARACTER( 16 ), ALLOCATABLE, SAVE :: PNAME_MAP( : )\n INTEGER, ALLOCATABLE, SAVE :: PHOT_MAP ( : )\n \n REAL, SAVE, ALLOCATABLE :: STWL_REF ( : ) \n REAL, SAVE, ALLOCATABLE :: EFFWL_REF( : ) \n REAL, SAVE, ALLOCATABLE :: ENDWL_REF( : ) \n\n REAL, ALLOCATABLE, SAVE :: CLD_BETA_REF ( : ) ! cloud extinction coef divided by LWC\n REAL, ALLOCATABLE, SAVE :: CLD_COALBEDO_REF( : ) ! cloud coalbedo\n REAL, ALLOCATABLE, SAVE :: CLD_G_REF ( : ) ! cloud asymmetry factor\n\n REAL, ALLOCATABLE, SAVE :: FSOLAR_REF( : ) ! initial solar flux [photons*cm-2*s-1]\n\n REAL, ALLOCATABLE, SAVE :: TEMP_BASE ( : ) ! reference temperatures\n REAL, ALLOCATABLE, SAVE :: TEMP_REF( :,: ) ! reference temperatures\n\n REAL, ALLOCATABLE, SAVE :: CS_REF ( :,:,: ) ! effective cross sections\n REAL, ALLOCATABLE, SAVE :: QY_REF ( :,:,: ) ! effective quantum yields\n REAL, ALLOCATABLE, SAVE :: ECS_REF( :,:,: ) ! CS*QY averaged UCI Solar Flux\n\n INTEGER, SAVE :: NTEMP_STRAT_REF ! number of stratos temperatures\n REAL, ALLOCATABLE, SAVE :: TEMP_STRAT_REF( : ) ! temperature for stratos O3 xcross, K\n REAL, ALLOCATABLE, SAVE :: O3_CS_STRAT_REF( :,: ) ! ozone xcross at stratos temperatures, cm2\n\n!... effective quantum yields were computed by performing separate\n!... interval integrations for the cross sections and for the\n!... effective cross sections (cs*qy) (calculated on the finer\n!... wavelength grid. The effective quantum yield values\n!... were then calculated for the 7 wavelength intervals by \n!... dividing the effective cross sections by the interval average\n!... cross sections (eQY=eCS/CS).\n\n REAL, ALLOCATABLE, SAVE :: EQY_REF( :,:,: ) ! eCS/CS averaged 77 bins in UCI Model\n\n INTEGER, PARAMETER :: NUM_REFRACTIVE = 5\n TYPE MODAL_COMPLEX\n CHARACTER( 16 ) :: NAME ! name of complex property\n REAL, ALLOCATABLE, DIMENSION( :, : ) :: REAL_PART ! real part\n REAL, ALLOCATABLE, DIMENSION( :, : ) :: IMAG_PART ! imaginary part\n END TYPE MODAL_COMPLEX\n\n TYPE( MODAL_COMPLEX ), SAVE :: REFRACTIVE_INDEX( NUM_REFRACTIVE )\n\n INTEGER :: IWLR ! wavelength loop variable\n INTEGER :: ITTR ! temperature loop variable\n \n! arrays for the size and optical properties of liquid droplets. The latter\n! is a function of radius and wavelength\n INTEGER :: NRADIUS_LIQUID\n \n REAL, ALLOCATABLE :: RADIUS_LIQUID( : ) ! droplet radius, um\n \n REAL, ALLOCATABLE :: LIQUID_EXTINCT( :, : ) ! extinction coefficient, m**3/g\n REAL, ALLOCATABLE :: LIQUID_ASYMFACT( :, : ) ! asymmetery factor, dimensionaless\n REAL, ALLOCATABLE :: LIQUID_COALBEDO( :, : ) ! One minus single scattering albebo, dimensionaless\n \n! arrays for the size and optical properties of ice particles. The latter\n! is a function of effective diameter and wavelength\n\n INTEGER :: NDIAMETER_ICE\n\n REAL, ALLOCATABLE :: DIAMETER_ICE( : ) ! particle effective diameter, um\n \n REAL, ALLOCATABLE :: ICE_EXTINCT( :, : ) ! extinction coefficient, m**3/g\n REAL, ALLOCATABLE :: ICE_ASYMFACT( :, : ) ! asymmetery factor, dimensionaless\n REAL, ALLOCATABLE :: ICE_COALBEDO( :, : ) ! One minus single scattering albebo, dimensionaless\n\n!***Information for photolysis\n\n INTEGER, SAVE :: NWL ! number of wavelengths\n! INTEGER, PARAMETER :: NWL_INLINE_METHOD = 7\n\n INTEGER IWL ! index use for wavelength\n INTEGER ITT ! index for temperature\n INTEGER IRRXN\n\n REAL, ALLOCATABLE, SAVE :: WAVELENGTH( : ) ! effective wavelengths [nm ]\n\n REAL, ALLOCATABLE, SAVE :: FEXT( : ) ! downward solar direct flux at the top of\n ! of the Atmosphere. [ photons / ( cm **2 s) ]\n\n!***surface albedo\n\n REAL, ALLOCATABLE, SAVE :: ALB( : ) ! set in subroutine PHOT\n\n!**Cloud albedo values from JPROC\n\n REAL, ALLOCATABLE, SAVE :: CLOUD_BETA_LWC( : ) ! cloud extinction coef divided by LWC\n REAL, ALLOCATABLE, SAVE :: CLOUD_COALBEDO( : ) ! cloud coalbedo\n REAL, ALLOCATABLE, SAVE :: CLOUD_G( : ) ! cloud asymmetry factor\n\n INTEGER, SAVE :: NTEMP_STRAT\n REAL, ALLOCATABLE, SAVE :: XO3CS( :,: ) !\n REAL, ALLOCATABLE, SAVE :: TEMP_O3_STRAT( : ) ! temperature for XO3CS, K\n\n!***arrays for reference data for needed photolysis rates\n\n REAL, ALLOCATABLE, SAVE :: XXCS( :,:,: ) ! absorption cross sections\n REAL, ALLOCATABLE, SAVE :: XXQY( :,:,: ) ! quantum yield\n\n REAL, ALLOCATABLE, SAVE :: RTEMP_S( :,: )\n\n CHARACTER(16), ALLOCATABLE, SAVE :: PHOTOLYSIS_RATE( : ) ! subset of photolysis rates from CSQY DATA\n\n\n!***Indices for special case photolysis cross sections\n\n INTEGER, SAVE :: LNO2\n INTEGER, SAVE :: LO3O1D\n INTEGER, SAVE :: LO3O3P\n INTEGER, SAVE :: LACETONE\n INTEGER, SAVE :: LKETONE\n INTEGER, SAVE :: LMGLY_ADJ\n INTEGER, SAVE :: LMGLY_ABS\n INTEGER, SAVE :: LHCHOR_06\n\n INTEGER, SAVE :: IREFTEMPS ! number of ref. temperatures\n\n INTEGER, SAVE :: NUMB_LANDUSE_REF\n INTEGER, SAVE :: INDEX_GRASSLAND_REF\n INTEGER, SAVE :: INDEX_OCEAN_REF\n INTEGER, SAVE :: INDEX_SEA_ICE\n\n CHARACTER(30), ALLOCATABLE, SAVE :: LANDUSE_REF( : )\n REAL, ALLOCATABLE, SAVE :: ZENITH_COEFF_REF( : )\n REAL, ALLOCATABLE, SAVE :: SEASON_COEFF_REF( : )\n REAL, ALLOCATABLE, SAVE :: SNOW_COEFF_REF( : )\n REAL, ALLOCATABLE, SAVE :: SPECTRAL_ALBEDO_REF( :,: )\n\n INTEGER, PARAMETER :: NUMB_EXPECT_NLCD50 = 50\n INTEGER, SAVE :: NUMB_LANDUSE_NLCD50\n CHARACTER(60), ALLOCATABLE, SAVE :: LANDUSE_NLCD50( : )\n INTEGER, ALLOCATABLE, SAVE :: ALBMAP_REF2NLCD50( : )\n REAL, ALLOCATABLE, SAVE :: ALBFAC_REF2NLCD50( : )\n\n INTEGER, PARAMETER :: NUMB_EXPECT_NLCD40 = 40\n INTEGER, SAVE :: NUMB_LANDUSE_NLCD40\n CHARACTER(60), ALLOCATABLE, SAVE :: LANDUSE_NLCD40( : )\n INTEGER, ALLOCATABLE, SAVE :: ALBMAP_REF2NLCD40( : )\n REAL, ALLOCATABLE, SAVE :: ALBFAC_REF2NLCD40( : )\n\n INTEGER, PARAMETER :: NUMB_EXPECT_USGS = 24\n INTEGER, SAVE :: NUMB_LANDUSE_USGS\n CHARACTER(60), ALLOCATABLE, SAVE :: LANDUSE_USGS( : )\n INTEGER, ALLOCATABLE, SAVE :: ALBMAP_REF2USGS( : )\n REAL, ALLOCATABLE, SAVE :: ALBFAC_REF2USGS( : )\n\n INTEGER, PARAMETER :: NUMB_EXPECT_MODIS = 33\n INTEGER, SAVE :: NUMB_LANDUSE_MODIS\n CHARACTER(60), ALLOCATABLE, SAVE :: LANDUSE_MODIS( : )\n INTEGER, ALLOCATABLE, SAVE :: ALBMAP_REF2MODIS( : )\n REAL, ALLOCATABLE, SAVE :: ALBFAC_REF2MODIS( : )\n\n LOGICAL, SAVE :: NO_NLCD40\n LOGICAL, SAVE :: WRITE_CELL\n\n!***special information for acetone\n!*** Reference:\n!*** Cameron-Smith, P., Incorporation of non-linear\n!*** effective cross section parameterization into a\n!*** fast photolysis computation code (Fast-J)\n!*** Journal of Atmospheric Chemistry, Vol. 37,\n!*** pp 283-297, 2000.\n\n INTEGER, PARAMETER :: NWL_ACETONE_FJX = 7\n\n REAL, SAVE :: OP0( 2, NWL_ACETONE_FJX ) ! variable needed for acetone\n\n DATA ( OP0( 1, IWL ), IWL = 1, NWL_ACETONE_FJX ) /\n & 2.982E-20, 1.301E-20, 4.321E-21, 1.038E-21,\n & 5.878E-23, 1.529E-25, 0.0/\n\n DATA ( OP0( 2, IWL ), IWL = 1, NWL_ACETONE_FJX ) /\n & 3.255E-20, 1.476E-20, 5.179E-21, 1.304E-21,\n & 9.619E-23, 2.671E-25, 0.0 /\n\n REAL, SAVE :: YY30( NWL_ACETONE_FJX ) ! variable needed for acetone\n\n DATA YY30 / 5.651E-20, 1.595E-19, 2.134E-19,\n & 1.262E-19, 1.306E-19, 1.548E-19, 0.0 /\n\n REAL :: OPTT ! variable needed for acetone\n \n INTEGER, PARAMETER :: N_MODE = 3\n \n CONTAINS\n \n \n subroutine m3exit ( PNAME, JDATE, JTIME, XMSG, XSTAT1 )\n \n implicit none\n character*(*), intent( in ) :: pname\n character*(*), intent( in ) :: xmsg\n integer, intent( in ) :: jdate, jtime, xstat1\n \n if(XSTAT1 .EQ. 0)then\n print *, ' *******program ',pname,' terminated normally********'\n elseif(XSTAT1 .EQ. 1)then\n print*, ' IO error in ',pname\n elseif(XSTAT1 .GE. 2)then\n print*, ' Programing Error in',pname\n endif\n print *, ' at date/time ', jdate, jtime\n print *, xmsg\n stop\n end subroutine m3exit\n \n subroutine m3warn ( PNAME, JDATE, JTIME, XMSG )\n \n implicit none\n character*(*), intent( in ) :: pname\n character*(*), intent( in ) :: xmsg\n integer, intent( in ) :: jdate, jtime\n \n print *, ' !!!warning in program ',pname,' !!!!!!!!!!'\n print *, ' at date/time ', jdate, jtime\n print *, xmsg\n return\n end subroutine m3warn\n \n subroutine m3MESG ( XMSG )\n \n implicit none\n character*(*), intent( in ) :: xmsg\n \n print *, ' !!!M3MESG!!!!!!!!!!'\n print *, xmsg\n return\n end subroutine m3MESG\n\n integer function init3 ( )\n \n implicit none\n \n init3 = 6\n return\n end function init3\n\n INTEGER FUNCTION JUNIT()\n\nC***********************************************************************\nC function body starts at line 60\nC\nC FUNCTION:\nC\nC Routine returns next available FORTRAN unit number\nC\nC REVISION HISTORY:\nC\nC 3/88 Maximum number of I/O unit numbers was increased from 50\nC to 75 due to increased file I/O requirements.\nC 5/88 Modified for ROMNET\nC 7/90 Modified for ROM 2.2 -- uses EXWST for error abort.\nC 8/90 Algorithm simplification: replaced IF-GOTO loop by DO loop.\nC 8/90 Algorithm simplification: counting algorithm instead of table\nC of flags; uses POSIX standards-approved unit numbers 11-99\nC 3/92 Models-3 Prototype version (eliminate EXWST)\nC 8/96 Modified by CJC -- On counting-algorithm failure, performs\nC INQUIREs to find available unit.\nC 2/97 conditional definition of EXIT under AIX\nC\nC ARGUMENT LIST DESCRIPTION: empty argument list\nC\nC RETURN VALUE: JUNIT Unit number selected\nC\nC LOCAL VARIABLE DESCRIPTION:\nC\nC IUNIT state variable: counts through available units\nC BOT parameter: first POSIX-approved unit number for FORTRAN I/O\nC TOP parameter: last ...\nC\nC***********************************************************************\n\n\n IMPLICIT NONE\n\nC........... PARAMETERS and their descriptions:\n\n INTEGER BOT ! 1 less than initial unit number\n INTEGER TOP ! final unit number\n PARAMETER ( BOT = 10, TOP = 99 )\n\n\nC........... SAVED LOCAL VARIABLES and their descriptions:\n\n INTEGER IUNIT, J\n LOGICAL FLAG\n DATA IUNIT / TOP / ! current highest unit number\n SAVE IUNIT\n\nC............................................................................\nC....... begin body of JUNIT:\n\n IF ( IUNIT .GE. BOT ) THEN\n JUNIT = IUNIT\n IUNIT = IUNIT - 1\n ELSE\n DO 11 J = BOT, TOP\n INQUIRE( UNIT=J, OPENED=FLAG )\n IF ( .NOT. FLAG ) THEN\n JUNIT = J\n RETURN\n END IF \n11 CONTINUE\n \nC......... If you get to here: failure\n\n WRITE (*,91001) BOT, TOP, IUNIT\n CALL EXIT( 2 )\n END IF\n RETURN\n91001 FORMAT (///, 1X, '*** ERROR ABORT IN ROUTINE JUNIT ***',\n & /, 5X, 'NO MORE UNIT NUMBERS AVAILABLE FOR I/O',\n & /, 5X, 'First POSIX-approved unit:', I4 ,\n & /, 5X, 'Last POSIX-approved unit:', I4 ,\n & /, 5X, 'Current unit: ', I4 ,\n & //)\n END FUNCTION JUNIT\n\n INTEGER FUNCTION GETEFILE( LNAME, RDONLY, FMTFLAG, CALLER )\n\nC***********************************************************************\nC Version \"@(#)$Header$\"\nC EDSS/Models-3 I/O API.\nC Copyright (C) 1992-2002 MCNC and Carlie J. Coats, Jr.,\nC (C) 2003-2010 by Baron Advanced Meteorological Systems.\nC Distributed under the GNU LESSER GENERAL PUBLIC LICENSE version 2.1\nC See file \"LGPL.txt\" for conditions of use.\nC.........................................................................\nC function body starts at line 79\nC\nC DESCRIPTION:\nC Gets value of logical name LNAME from the environment, checks for\nC existence of a file whose file name is that value, then opens the\nC file as a sequential file on unit IUNIT according to the flags RDONLY\nC (open for read-only iff TRUE, read/write if FALSE) and FMTFLAG\nC (formatted iff TRUE, else unformatted).\nC Logs the file-opening, together with the CALLER version, and\nC returns the unit number (or -1 for failure)\nC\nC RETURNS: unit number, (or -1 for failure)\nC\nC PRECONDITIONS REQUIRED:\nC\nC\nC SUBROUTINES AND FUNCTIONS CALLED:\nC TRIMLEN, JUNIT\nC\nC REVISION HISTORY:\nC Prototype 2/1995 by CJC.\nC\nC Modified 9/1999 by CJC: portability/standardization changes\nC\nC Modified 7/2003 by CJC: OMP thread safety -- critical sections\nC associated with INIT3()\nC\nC Modified 11/2004 by CJC: IOSTAT check for INQUIRE\nC\nC Modified 03/2010 by CJC: F9x changes for I/O API v3.1\nC***********************************************************************\n USE GET_ENV_VARS\n \n IMPLICIT NONE\n\n\nC........... ARGUMENTS and their descriptions:\n\n\n CHARACTER*(*), INTENT(IN ) :: LNAME ! logical file name\n LOGICAL , INTENT(IN ) :: RDONLY ! TRUE iff file is input-only\n LOGICAL , INTENT(IN ) :: FMTFLAG ! TRUE iff file should be formatted\n CHARACTER*(*), INTENT(IN ) :: CALLER ! caller-name for logging\n\nC........... EXTERNAL FUNCTIONS and their descriptions:\n\n! INTEGER, EXTERNAL :: INIT3\n! INTEGER, EXTERNAL :: JUNIT\n\n\nC........... LOCAL VARIABLES and their descriptions:\n\n\n INTEGER IUNIT\n INTEGER LLEN, PLEN\n INTEGER\t\tISTAT, JSTAT\n\n LOGICAL LCHECK\n\n CHARACTER*512 PNAME\n CHARACTER*512 MESG\n CHARACTER*16 FMTSTRING\n\n INTEGER , SAVE :: LOGDEV = -1\n\nC***********************************************************************\nC begin body of GETEFILE()\n\n!$OMP CRITICAL( S_INIT )\n IF ( LOGDEV .LT. 0 ) THEN\n LOGDEV = INIT3()\n END IF\n!$OMP END CRITICAL( S_INIT )\n\nC........... Read filename from environment ---\n\n CALL VALUE_NAME( LNAME, PNAME )\n\n LLEN = LEN_TRIM( LNAME )\n PLEN = LEN_TRIM( PNAME )\n\n IF ( FMTFLAG ) THEN\n FMTSTRING = 'FORMATTED'\n ELSE\n FMTSTRING = 'UNFORMATTED'\n END IF\n\nC....... Check for existence of files ---\n\n INQUIRE( FILE=PNAME( 1:PLEN ) , EXIST=LCHECK, IOSTAT=JSTAT )\n\n IF ( JSTAT .NE. 0 ) THEN\n WRITE( MESG, '( A, I11, 2X, A, 1X, A)' )\n & 'Error', JSTAT, 'inquiring about', LNAME\n CALL M3MESG( MESG )\n MESG = 'Path-name: ' // PNAME\n CALL M3MESG( MESG )\n GETEFILE = -1\n RETURN\n END IF\n\n IF ( RDONLY ) THEN\n\n IF ( .NOT. LCHECK ) THEN\n WRITE( LOGDEV, 9000, IOSTAT=JSTAT, ERR=9999 )\n & 'ERROR: input file not found: ',\n & LNAME( 1:LLEN ),\n & PNAME( 1:PLEN )\n GETEFILE = -1\n RETURN\n END IF\n\n IUNIT = JUNIT()\n\n! OPEN( UNIT = IUNIT,\n! & FILE = PNAME,\n! & FORM = FMTSTRING,\n! & ACTION = 'READ',\n! & IOSTAT = ISTAT )\n OPEN( UNIT = IUNIT,\n & FILE = PNAME,\n & FORM = FMTSTRING,\n & STATUS = 'OLD',\n & READONLY,\n & IOSTAT = ISTAT )\n\n IF ( ISTAT .NE. 0 ) THEN\n WRITE(LOGDEV,*)'ERROR: file not opened successfully'\n WRITE( LOGDEV, 9100, IOSTAT=JSTAT, ERR=9999 )\n & LNAME( 1:LLEN ),\n & PNAME( 1:PLEN ),\n & 'I/O status: ', ISTAT\n GETEFILE = -1\n STOP\n END IF\n\n WRITE( LOGDEV, 9001, IOSTAT=JSTAT, ERR=9999 )\n & 'File \"', LNAME( 1:LLEN ),\n & '\" opened for input on unit:', IUNIT,\n & PNAME( 1:PLEN )\n\n ELSE ! not read-only: open for write\n\n IF ( LCHECK ) THEN\n WRITE( LOGDEV, 9000, IOSTAT=JSTAT, ERR=9999 )\n & 'WARNING: output file already exists: ',\n & LNAME( 1:LLEN ),\n & PNAME( 1:PLEN )\n END IF\n\n IUNIT = JUNIT()\n\n OPEN( UNIT = IUNIT,\n & FILE = PNAME,\n & FORM = FMTSTRING,\n & IOSTAT = ISTAT )\n\n IF ( ISTAT .NE. 0 ) THEN\n WRITE(LOGDEV,*)'ERROR: file not opened successfully'\n WRITE( LOGDEV, 9100, IOSTAT=JSTAT, ERR=9999 )\n & LNAME( 1:LLEN ),\n & PNAME( 1:PLEN ),\n & 'I/O status: ', ISTAT\n GETEFILE = -1\n STOP\n END IF\n\n WRITE( LOGDEV, 9001, IOSTAT=JSTAT, ERR=9999 )\n & 'File \"', LNAME( 1:LLEN ),\n & '\" opened for output on unit:', IUNIT,\n & PNAME( 1:PLEN )\n\n END IF\n\n GETEFILE = IUNIT\n RETURN\n\nC----------------------------------------------------------------------\nC handle messaging errors:\n\n9999 CONTINUE\n\n IF ( JSTAT .NE. 0 ) THEN\n WRITE(LOGDEV,*)'ERROR writing log message.'\n WRITE( LOGDEV, 9200, IOSTAT=ISTAT )\n & 'I/O status:', JSTAT\n GETEFILE = -1\n RETURN\n END IF\n\nC-----------------------------------------------------------------------\nC Format statements:\n\n8000 FORMAT( A )\n9000 FORMAT( /, 1X, 2A, /, :, 1X, A, / )\n9001 FORMAT( /, 5X, 3A, I4,\n & /, 5X, A, /)\n9100 FORMAT( /, 1X, A, ':', A,\n & /, 1X, A, I7 , / )\n9200 FORMAT( /, 1X, A, I7 , / )\n\n END FUNCTION GETEFILE\n\n\n INTEGER FUNCTION INDEXR ( NAME1, N, NAME2 )\nC-----------------------------------------------------------------------\nC\nC FUNCTION:\nC This routine searches for NAME1 in list NAME2\nC\nC REVISION HISTORY:\nC 5/88 Modified for ROMNET\nC July 29, 2005 by FSB\nC Changed name to avoid conflict FSB\nC copied from CMAQ routine INDEX2 to allow internal use\nC\nC ARGUMENT LIST DESCRIPTION:\nC\nC Input arguments:\nC NAME1 Character string being searched for\nC N Length of array to be searched\nC NAME2 Character array to be searched\nC\nC Output arguments:\nC INDEX1 The position within the NAME2 array that NAME1\nC found. If string was not found, INDEX1 = 0\nC\nC LOCAL VARIABLE DESCRIPTION:\nC None\nC\nC-----------------------------------------------------------------------\n\n IMPLICIT NONE\n\n INTEGER, INTENT(IN) :: N\n\n CHARACTER*(*), INTENT(IN) :: NAME1\n CHARACTER*(*), INTENT(IN) :: NAME2(*)\n\n INTEGER I\n\n!***Assume NAME1 is not in list NAME2\n\n INDEXR = 0\n\n DO I = 1, N\n IF ( INDEX( NAME2( I ), NAME1 ) .EQ. 1 ) THEN\n INDEXR = I\n RETURN\n END IF\n END DO\n\n RETURN\n END FUNCTION INDEXR\n \n SUBROUTINE LOAD_CSQY_DATA ( )\n!-----------------------------------------------------------------------\n! Purpose: read input file for \n! -wavelength bin and temperature structure.\n! -photolysis cross-sections and quantum\n!\n! Revision History:\n! 31 Jan 2014 B.Hutzell: Initial Version based on LOAD_REF_DATA in\n! CMAQ version 5.0\n!-----------------------------------------------------------------------\n\n! USE UTILIO_DEFN\n\n IMPLICIT NONE\n\n INCLUDE SUBST_RXCMMN ! chemical mechamism reactions COMMON\n\nC***arguments\n\nC NONE\n\nC***local\n\n LOGICAL :: WRITE_LOG = .TRUE.\n\n CHARACTER( 32 ) :: PNAME = 'LOAD_CSQY_DATA'\n CHARACTER( 16 ) :: CSQY_FILE = 'CSQY_DATA' ! CSQY_DATA i/o logical name\n CHARACTER( 16 ) :: PHOT_EXPECT\n CHARACTER( 30 ) :: LAND_EXPECT\n CHARACTER( 120 ) :: MSG ! buffer for messages to output\n CHARACTER( 240 ) :: FILE_LINE\n\n CHARACTER( 16 ), ALLOCATABLE :: AE_RERACT_REF( : )\n\n! INTEGER, INTENT(OUT) :: NWL_PHOT ! # of wavelengths used in PHOT_MOD.F\n INTEGER :: NWL_PHOT ! # of wavelengths used in PHOT_MOD.F\n INTEGER :: IOST ! IOST returned from OPEN function\n INTEGER :: JDATE = 0\n INTEGER :: LOG_UNIT\n INTEGER :: PHOTAB_UNIT\n INTEGER :: IPHOT, IPHOT_LOAD ! loop indices\n INTEGER :: ITT, ITT_LOAD ! loop indices \n INTEGER :: IP_MAP, IP_REF ! photolysis reaction indicies\n INTEGER :: IWL_LOAD\n INTEGER :: STRT, FINI\n\n\n INTEGER :: NAE_REFRACT_REF \n\n REAL, ALLOCATABLE :: AE_IMAG_REFRACT( :, : )\n REAL, ALLOCATABLE :: AE_REAL_REFRACT( :, : )\n\n LOGICAL :: ERROR_FLAG = .FALSE.\n\nC***external functions: none\n\n LOG_UNIT = INIT3()\n\n PHOTAB_UNIT = GETEFILE( CSQY_FILE, .TRUE., .TRUE., PNAME )\n\n IF ( PHOTAB_UNIT .LT. 0 ) THEN\n MSG = 'Error opening the CSQY data file: ' // TRIM( CSQY_FILE )\n CALL M3EXIT ( PNAME, 0, 0, MSG, -1 )\n END IF\n\nC...begin read\n\n READ( PHOTAB_UNIT,'(22X,A32)' ) JTABLE_REF\n\n IF ( JTABLE_REF .NE. MECHNAME ) THEN\n MSG = 'WARNING: JTABLE mechanism is for ' // JTABLE_REF\n & // ' but gas chemistry name is ' // MECHNAME\n CALL M3WARN( PNAME, 0, 0, MSG )\n END IF\n\n READ( PHOTAB_UNIT,'(10X,I4)' ) NPHOT_MAP\n\n#ifdef verbose_phot\n write( log_unit,'(22x,a32)' ) jtable_ref\n write( log_unit,'(10x,i4)' ) nphot_map\n#endif\n\n READ( PHOTAB_UNIT,'(A)' ) FILE_LINE\n\n ALLOCATE( PNAME_MAP( NPHOT_MAP ) )\n ALLOCATE( PNAME_REF( NPHOT_MAP ) )\n ALLOCATE( PHOT_MAP ( NPHOT_MAP ) )\n\n DO IPHOT_LOAD = 1, NPHOT_MAP\n READ( PHOTAB_UNIT,'(A16)' ) PNAME_REF( IPHOT_LOAD )\n\n#ifdef verbose_phot\n write( log_unit,'(i3,1x,a16)' ) iphot_load, pname_ref( iphot_load )\n#endif\n\n PNAME_MAP( IPHOT_LOAD ) = PNAME_REF( IPHOT_LOAD )\n PHOT_MAP ( IPHOT_LOAD ) = IPHOT_LOAD\n END DO\n\n READ( PHOTAB_UNIT,'(10X,I3)' ) NTEMP_REF\n\n#ifdef verbose_phot\n write( log_unit,'(10x,i3)' ) ntemp_ref\n#endif\n\n READ( PHOTAB_UNIT,'(A)' ) FILE_LINE\n\n#ifdef verbose_phot\n write( log_unit,* ) trim( file_line )\n#endif\n\n IREFTEMPS = NTEMP_REF\n\n ALLOCATE( TEMP_BASE( NTEMP_REF ) )\n\n DO ITT_LOAD = 1, NTEMP_REF\n READ( PHOTAB_UNIT,'(A)' ) FILE_LINE\n\n#ifdef verbose_phot\n write( log_unit,* ) trim( file_line )\n#endif\n\n READ( FILE_LINE,* ) IPHOT_LOAD, TEMP_BASE( ITT_LOAD )\n\n#ifdef verbose_phot\n write( log_unit,'(4x,f6.2)' ) temp_base( itt_load )\n#endif\n\n END DO\n\n ALLOCATE( TEMP_REF( NTEMP_REF, NPHOT_MAP) )\n\n DO ITT_LOAD = 1, 15 ! skip next 15 lines\n READ( PHOTAB_UNIT,'(A)' ) FILE_LINE\n#ifdef verbose_phot\n write( log_unit, '(I2,1X,A)' )ITT_LOAD,TRIM(FILE_LINE)\n#endif\n END DO\n\n READ( FILE_LINE, 4999) NWL_REF\n\n READ( PHOTAB_UNIT,'(A)' ) FILE_LINE\n \n#ifdef verbose_phot\n write( log_unit, * )TRIM(FILE_LINE)\n#endif\n\n4999 FORMAT(17X,I3,2X,17X,I3)\n\n \n \n NWL = NWL_REF\n NWL_PHOT = NWL\n\n#ifdef verbose_phot\n write( log_unit,'(17x,i3)' ) nwl_ref\n#endif\n\n IF ( NWL_REF .NE. NWL_PHOT ) THEN\n WRITE( LOG_UNIT,* ) 'NWL_PHOT = ', NWL_PHOT\n WRITE( LOG_UNIT,* ) 'NWL_REF = ', NWL_REF\n MSG = 'NWL_REF used in ' // CSQY_FILE\n & // ' does equal NWL in PHOT_MOD.F file. '\n CALL M3EXIT( PNAME, 0, 0, MSG, -1 )\n END IF\n\n READ( PHOTAB_UNIT,'(A)' ) FILE_LINE\n#ifdef verbose_phot\n write( log_unit, * )FILE_LINE\n#endif\n\n ALLOCATE( STWL_REF ( NWL_REF ) )\n ALLOCATE( EFFWL_REF ( NWL_REF ) )\n ALLOCATE( ENDWL_REF ( NWL_REF ) )\n ALLOCATE( FSOLAR_REF ( NWL_REF ) )\n ALLOCATE( CLD_BETA_REF ( NWL_REF ) )\n ALLOCATE( CLD_COALBEDO_REF( NWL_REF ) )\n ALLOCATE( CLD_G_REF ( NWL_REF ) )\n\n DO IWL_LOAD = 1, NWL_REF\n! READ( PHOTAB_UNIT,'(4X,3(F8.3,2X),2X,ES12.4,2X,2(F8.3,2X),ES12.4,2X)' )\n READ( PHOTAB_UNIT, * )iphot_load,\n & STWL_REF( IWL_LOAD ), EFFWL_REF( IWL_LOAD ),\n & ENDWL_REF( IWL_LOAD ), FSOLAR_REF( IWL_LOAD )\n \n#ifdef verbose_phot\n write( log_unit,'(4x,3(f8.3,2x),2x,2(es12.4,2x),f8.3,2x,12(es12.4,2x))' )\n & stwl_ref( iwl_load ), effwl_ref( iwl_load ),\n & endwl_ref( iwl_load ),fsolar_ref( iwl_load )\n#endif\n\n END DO\n\n\n READ( PHOTAB_UNIT,'(A)' ) FILE_LINE\n READ( PHOTAB_UNIT,'(A)' ) FILE_LINE\n READ( PHOTAB_UNIT,'(A)' ) FILE_LINE\n READ( PHOTAB_UNIT,'(A)' ) FILE_LINE\n\n ALLOCATE( CS_REF ( NPHOT_MAP, NTEMP_REF, NWL_REF ) )\n ALLOCATE( QY_REF ( NPHOT_MAP, NTEMP_REF, NWL_REF ) )\n ALLOCATE( EQY_REF( NPHOT_MAP, NTEMP_REF, NWL_REF ) )\n ALLOCATE( ECS_REF( NPHOT_MAP, NTEMP_REF, NWL_REF ) )\n\n CS_REF = 0.0\n QY_REF = 0.0\n EQY_REF = 0.0\n ECS_REF = 0.0\n\n DO IPHOT_LOAD = 1, NPHOT_MAP\n DO ITT_LOAD = 1, NTEMP_REF\n READ( PHOTAB_UNIT,'(A16,7X,F8.3,1X,40(1PE12.6,2X))' )\n & PHOT_EXPECT, TEMP_REF( ITT_LOAD, IPHOT_LOAD),\n & ( CS_REF( IPHOT_LOAD, ITT_LOAD, IWL_LOAD), IWL_LOAD = 1, NWL_REF )\n\n#ifdef verbose_phot\n write( log_unit,'(a16,7x,f8.3,1x,40(1pe12.6,2x))' )\n & phot_expect, temp_ref( itt_load, iphot_load),\n & ( cs_ref( iphot_load, itt_load, iwl_load), iwl_load = 1, nwl_ref )\n#endif\n\n IF ( PHOT_EXPECT .NE. PNAME_REF( IPHOT_LOAD ) ) THEN\n MSG = 'CS for ' // TRIM( PHOT_EXPECT )\n & // ' does match the order the PHOT_MAP array.'\n CALL M3EXIT( PNAME, 0, 0, MSG, -1 )\n END IF\n\n READ( PHOTAB_UNIT,'(A16,7X,F8.3,1X,40(1PE12.6,2X))' )\n & PHOT_EXPECT, TEMP_REF( ITT_LOAD, IPHOT_LOAD),\n & ( EQY_REF( IPHOT_LOAD, ITT_LOAD, IWL_LOAD), IWL_LOAD = 1, NWL_REF )\n\n QY_REF( IPHOT_LOAD, ITT_LOAD, 1:NWL_REF) = EQY_REF( IPHOT_LOAD, ITT_LOAD, 1:NWL_REF)\n\n#ifdef verbose_phot\n write( log_unit,'(a16,7x,f8.3,1x,40(1pe12.6,2x))' )\n & phot_expect, temp_ref( itt_load, iphot_load),\n & ( qy_ref( iphot_load, itt_load, iwl_load), iwl_load = 1, nwl_ref )\n#endif\n\n IF ( PHOT_EXPECT .NE. PNAME_REF(IPHOT_LOAD) ) THEN\n MSG = 'EQY for ' // TRIM( PHOT_EXPECT )\n & // ' does match the order the PHOT_MAP array.'\n CALL M3WARN( PNAME, 0, 0, MSG )\n ERROR_FLAG = .TRUE.\n END IF\n END DO\n END DO\n\n DO ITT_LOAD = 1, 3 ! skip next 3 lines\n READ( PHOTAB_UNIT,'(A)' ) FILE_LINE\n END DO\n\n READ( PHOTAB_UNIT,'(15X,I3)' ) NTEMP_STRAT_REF\n\n#ifdef verbose_phot\n write( log_unit,'(16x,i3)' ) ntemp_strat_ref\n#endif\n\n ALLOCATE( TEMP_STRAT_REF ( NTEMP_STRAT_REF ) )\n ALLOCATE( O3_CS_STRAT_REF( NTEMP_STRAT_REF, NWL_REF ) )\n\n READ( PHOTAB_UNIT,'(A)' ) FILE_LINE\n\n DO ITT_LOAD = 1, NTEMP_STRAT_REF\n READ( PHOTAB_UNIT,'(A16,7X,F8.3,1X,40(1PE12.6,2X))' )\n & PHOT_EXPECT, TEMP_STRAT_REF( ITT_LOAD ),\n & ( O3_CS_STRAT_REF( ITT_LOAD, IWL_LOAD), IWL_LOAD = 1, NWL_REF )\n\n#ifdef verbose_phot\n write( log_unit,'(a16,7x,f8.3,1x,40(1pe12.6,2x))' )\n & phot_expect, temp_strat_ref( itt_load ),\n & ( o3_cs_strat_ref( itt_load, iwl_load), iwl_load = 1, nwl_ref )\n#endif\n\n IF ( PHOT_EXPECT .NE. 'O3_STRAT' ) THEN\n MSG = 'O3_STRAT not found at expected location in CSQY_FILE. ' //\n & TRIM( PHOT_EXPECT ) // ' found.'\n CALL M3WARN( PNAME, 0, 0, MSG )\n ERROR_FLAG = .TRUE.\n END IF\n END DO\n\n\n NTEMP_STRAT = NTEMP_STRAT_REF\n ALLOCATE( TEMP_O3_STRAT( NTEMP_STRAT_REF ) )\n ALLOCATE( XO3CS ( NTEMP_STRAT_REF, NWL_PHOT ) )\n\n DO ITT_LOAD = 1, NTEMP_STRAT_REF\n TEMP_O3_STRAT( ITT_LOAD ) = TEMP_STRAT_REF( ITT_LOAD )\n DO IWL_LOAD = 1, NWL_PHOT\n XO3CS( ITT_LOAD, IWL_LOAD ) = O3_CS_STRAT_REF( ITT_LOAD, IWL_LOAD )\n END DO\n END DO\n\nC***initialize pointers for mandatory photolysis rates\n\n LNO2 = 0\n LO3O1D = 0\n LO3O3P = 0\n LACETONE = 0\n LKETONE = 0\n LMGLY_ADJ = 0\n LMGLY_ABS = 0\n\nC***get needed photolysis data for the model chemistry from the\nC***CSQY_DATA\n\n ALLOCATE( PHOTOLYSIS_RATE ( NPHOTAB ) )\n ALLOCATE( XXCS( NPHOTAB, IREFTEMPS, NWL ) )\n ALLOCATE( XXQY( NPHOTAB, IREFTEMPS, NWL ) )\n ALLOCATE( RTEMP_S( IREFTEMPS, NPHOTAB ) )\n\n DO IPHOT = 1, NPHOTAB\n IP_MAP = INDEXR( PHOTAB( IPHOT ), NPHOT_MAP, PNAME_MAP )\n IF ( IP_MAP .LE. 0 ) THEN\n MSG = 'FATAL ERROR: photolysis reaction ' // TRIM( PHOTAB( IPHOT ) )\n & // ' not found in ' //\n & 'the reference data! '\n ERROR_FLAG = .TRUE.\n CALL M3WARN ( PNAME, 0, 0, MSG )\n END IF\n IP_REF = PHOT_MAP( IP_MAP )\n PHOTOLYSIS_RATE( IPHOT ) = PNAME_MAP( IP_MAP )\n\nC***check to see if this photolysis reaction is a special case that\nC*** is referenced in other sections of the code. if so, then set\nC*** the appropriate pointers for later processing\n\n SELECT CASE ( TRIM( PHOTOLYSIS_RATE( IPHOT ) ) )\n CASE( 'O3O3P', 'O3O3P_SAPRC99', 'O3O3P_06', 'O3_O3P_IUPAC04', 'O3O3P_NASA06' )\n LO3O3P = IPHOT\n CASE( 'NO2', 'NO2_SAPRC99', 'NO2_06', 'NO2_RACM2' )\n LNO2 = IPHOT\n CASE( 'O3O1D', 'O3O1D_SAPRC99' , 'O3O1D_06', 'O3_O1D_IUPAC04', 'O3O1D_NASA06' )\n LO3O1D = IPHOT\n CASE( 'KETONE', 'KET_RACM2' )\n LKETONE = IPHOT\n CASE( 'MGLY_ADJ' )\n LMGLY_ADJ = IPHOT\n CASE( 'MGLY_ABS' )\n LMGLY_ABS = IPHOT\n CASE( 'ACETONE', 'CH3COCH3_RACM2' )\n LACETONE = IPHOT\n CASE( 'HCHOR_06', 'HCHO_RAD_RACM2')\n LHCHOR_06 = IPHOT\n END SELECT\n\n\nC***load the local cross section & quantum yield data from the reference\nC*** dataset for this photolysis reaction\n\n DO ITT = 1, IREFTEMPS\n DO IWL = 1, NWL\n XXCS( IPHOT, ITT, IWL ) = CS_REF( IP_REF, ITT, IWL )\n XXQY( IPHOT, ITT, IWL ) = QY_REF( IP_REF, ITT, IWL )\n RTEMP_S( ITT, IPHOT ) = TEMP_REF( ITT, IP_REF )\n END DO ! iwl\n END DO ! itt\n\n END DO ! iphot\n\n IF ( LNO2 .EQ. 0 ) THEN\n MSG = 'NO2 cross-section not found in the CSQY data! '\n ERROR_FLAG = .TRUE.\n CALL M3WARN ( PNAME, 0, 0, MSG )\n END IF\n IF ( LO3O1D .EQ. 0 ) THEN\n MSG = 'O3(1D) production not found in the CSQY data! '\n CALL M3WARN ( 'NEW_OPTICS', 0, 0, MSG )\n END IF\n IF ( LO3O3P .EQ. 0 ) THEN\n MSG = 'O3 cross-section not found in the CSQY data! '\n ERROR_FLAG = .TRUE.\n CALL M3WARN ( PNAME, 0, 0, MSG )\n END IF\n\n IF( ERROR_FLAG )THEN\n MSG = 'The above fatal error(s) found in CSQY data! '\n CALL M3EXIT( PNAME, 0, 0, MSG, -1 )\n END IF\n\n WRITE( LOG_UNIT,* ) 'Sucessfully Loaded CSQY_DATA file'\n \n CLOSE(LOG_UNIT)\n CLOSE(PHOTAB_UNIT)\n\n5012 FORMAT( 4X,A30,1X,3(F8.3,2X) )\n5013 FORMAT( 22X,I3 )\n5016 FORMAT( 4X,A60,1X,I3,2X,3(F8.3,2X) )\n\n#ifdef verbose_phot\n6009 format( a3,', ',8(a,', ') )\n6013 format( a22,1x,i3 )\n6016 format( i3,1x,a60,1x,i3,2x,3(f8.3,2x) )\n#endif\n\n RETURN\n END SUBROUTINE LOAD_CSQY_DATA\n\n\n\n SUBROUTINE LOAD_OPTICS_DATA()\n!-----------------------------------------------------------------------\n! Purpose: read input file for \n! -wavelength bin for cross check against\n! -size dependent optical data for liquid droplets and ice \n! ice particles\n! -landuse type data for surface alebdo\n!\n! Revision History:\n! 31 Jan 2014 B.Hutzell: Initial Version based on LOAD_REF_DATA in\n! CMAQ version 5.0\n!-----------------------------------------------------------------------\n\n! USE UTILIO_DEFN\n\n IMPLICIT NONE\n\n!***arguments\n\n! NONE\n\n!***local\n\n LOGICAL :: WRITE_LOG = .TRUE.\n\n CHARACTER( 32 ) :: PNAME = 'LOAD_OPTICS_DATA'\n CHARACTER( 16 ) :: OPTICS_FILE = 'OPTICS_DATA' ! OPTICS_DATA i/o logical name\n CHARACTER( 16 ) :: OPTICS_EXPECT\n CHARACTER( 16 ) :: QUANTITY\n CHARACTER( 30 ) :: LAND_EXPECT\n CHARACTER( 120 ) :: MSG ! buffer for messages to output\n CHARACTER( 240 ) :: FILE_LINE\n\n CHARACTER( 16 ), ALLOCATABLE :: AE_RERACT_REF( : )\n\n! INTEGER, INTENT(OUT) :: NWL_OPTICS ! # of wavelengths used in PHOT_MOD.F\n INTEGER :: NWL_OPTICS ! # of wavelengths used in PHOT_MOD.F\n INTEGER :: IOST ! IOST returned from OPEN function\n INTEGER :: JDATE = 0\n INTEGER :: LOG_UNIT\n INTEGER :: OPTICS_UNIT\n INTEGER :: IPHOT, IPHOT_LOAD ! loop indices\n INTEGER :: ITT, ITT_LOAD ! loop indices \n INTEGER :: IP_MAP, IP_REF ! photolysis reaction indicies\n INTEGER :: IWL_LOAD\n INTEGER :: STRT, FINI\n\n INTEGER :: NAE_REFRACT_REF \n \n REAL, ALLOCATABLE :: AE_IMAG_REFRACT( :, : )\n REAL, ALLOCATABLE :: AE_REAL_REFRACT( :, : )\n\n LOGICAL :: ERROR_FLAG = .FALSE.\n\nC***external functions: none\n\n LOG_UNIT = INIT3()\n\n OPTICS_UNIT = GETEFILE( OPTICS_FILE, .TRUE., .TRUE., PNAME )\n\n\n READ( OPTICS_UNIT,'(A)' ) FILE_LINE\n \n#ifdef verbose_phot\n write( log_unit, * )TRIM(FILE_LINE)\n#endif\n\n READ( FILE_LINE, 4999) NWL_REF\n \n NWL_OPTICS = NWL_REF\n\n DO ITT_LOAD = 1, 14 ! skip next 14 lines\n READ( OPTICS_UNIT,'(A)' ) FILE_LINE\n END DO\n\n DO IWL_LOAD = 1, NWL_REF\n READ( OPTICS_UNIT, * )iphot_load,\n & STWL_REF( IWL_LOAD ), EFFWL_REF( IWL_LOAD ),\n & ENDWL_REF( IWL_LOAD ) \n \n#ifdef verbose_phot\n write( log_unit, 99946 )\n & stwl_ref( iwl_load ), effwl_ref( iwl_load ),\n & endwl_ref( iwl_load )\n#endif\n\n END DO\n \n DO ITT_LOAD = 1, 6 ! skip next 6 lines\n READ( OPTICS_UNIT,'(A)' ) FILE_LINE\n END DO\n\n READ( FILE_LINE, 4999)NAE_REFRACT_REF\n\n\n IF( NAE_REFRACT_REF .NE. NUM_REFRACTIVE )THEN\n WRITE( LOG_UNIT,* ) 'NAE_REFRACT_REF = ', NAE_REFRACT_REF\n MSG = 'NAERO_REFRACT used in ' // OPTICS_FILE\n & // ' does not equal NUM_REFRACTIVE in CSQY_DATA.F file. '\n CALL M3WARN( PNAME, 0, 0, MSG )\n ERROR_FLAG = .TRUE.\n END IF\n \n ALLOCATE( AE_RERACT_REF ( NAE_REFRACT_REF ) )\n\n READ( OPTICS_UNIT,'(A)' ) FILE_LINE\n \n#ifdef verbose_phot\n write( log_unit, '(a)')TRIM(FILE_LINE)\n#endif\n\n STRT = SCAN(FILE_LINE, '=', BACK = .TRUE.) + 1\n FINI = LEN(FILE_LINE)\n\n READ( FILE_LINE( STRT:FINI ), * )( AE_RERACT_REF( ITT_LOAD ), \n & ITT_LOAD = 1, NAE_REFRACT_REF )\n\n#ifdef verbose_phot\n write( log_unit, 99947)'REFRACTIVE_INDICES'\n write( log_unit, 99948 )(AE_RERACT_REF( ITT_LOAD ),ITT_LOAD = 1, \n & NAE_REFRACT_REF )\n#endif\n\n DO ITT_LOAD = 1, NAE_REFRACT_REF \n! set up refractive indices used by aero_photdata routine\n\n REFRACTIVE_INDEX( ITT_LOAD )%NAME = AE_RERACT_REF( ITT_LOAD )\n ALLOCATE( REFRACTIVE_INDEX( ITT_LOAD )%REAL_PART( N_MODE, NWL_REF ) ) \n ALLOCATE( REFRACTIVE_INDEX( ITT_LOAD )%IMAG_PART( N_MODE, NWL_REF ) ) \n \n#ifdef verbose_phot\n write( log_unit, '(i3, 1x, a16)')itt_load, refractive_index( itt_load )%name\n#endif\n\n END DO\n\n DO IWL_LOAD = 1, NWL_REF\n READ( OPTICS_UNIT, * )iphot_load,\n & STWL_REF( IWL_LOAD ), EFFWL_REF( IWL_LOAD ),\n & ENDWL_REF( IWL_LOAD ), FSOLAR_REF( IWL_LOAD ),\n & ( AE_REAL_REFRACT( ITT_LOAD, IWL_LOAD ), \n & AE_IMAG_REFRACT( ITT_LOAD, IWL_LOAD ),\n & ITT_LOAD = 1, NAE_REFRACT_REF )\n\n DO ITT_LOAD = 1, NAE_REFRACT_REF\n REFRACTIVE_INDEX( ITT_LOAD )%REAL_PART( 1:N_MODE, IWL_LOAD ) \n & = AE_REAL_REFRACT( ITT_LOAD, IWL_LOAD )\n REFRACTIVE_INDEX( ITT_LOAD )%IMAG_PART( 1:N_MODE, IWL_LOAD ) \n & = AE_IMAG_REFRACT( ITT_LOAD, IWL_LOAD )\n END DO\n#ifdef verbose_phot\n write( log_unit, 99949 )\n & stwl_ref( iwl_load ), effwl_ref( iwl_load ),\n & endwl_ref( iwl_load ),fsolar_ref( iwl_load ),\n & ( ae_real_refract( itt_load, iwl_load ),\n & ae_imag_refract( itt_load, iwl_load ), itt_load = 1, nae_refract_ref )\n#endif\n\n END DO\n\n DO ITT_LOAD = 1, 6 ! skip next 6 lines\n READ( OPTICS_UNIT,'(A)' ) FILE_LINE\n END DO\n\n! read optical data for liquid droplets\n\n READ( FILE_LINE, 4999)NRADIUS_LIQUID\n\n READ( OPTICS_UNIT,'(A)' ) FILE_LINE\n\n ALLOCATE(RADIUS_LIQUID( NRADIUS_LIQUID ))\n \n ALLOCATE( LIQUID_EXTINCT(NRADIUS_LIQUID, NWL_OPTICS),\n & LIQUID_ASYMFACT(NRADIUS_LIQUID, NWL_OPTICS),\n & LIQUID_COALBEDO(NRADIUS_LIQUID, NWL_OPTICS))\n\n READ( OPTICS_UNIT,'(A)' ) FILE_LINE\n\n QUANTITY = 'LIQ_EXT'\n \n DO ITT_LOAD = 1, NRADIUS_LIQUID\n READ( OPTICS_UNIT, 99950 )\n & OPTICS_EXPECT, RADIUS_LIQUID( ITT_LOAD ),\n & ( LIQUID_EXTINCT( ITT_LOAD, IWL_LOAD), IWL_LOAD = 1, NWL_OPTICS )\n\n#ifdef verbose_phot\n write( log_unit, 99950 )\n & OPTICS_EXPECT, RADIUS_LIQUID( ITT_LOAD ),\n & ( LIQUID_EXTINCT( ITT_LOAD, IWL_LOAD), IWL_LOAD = 1, NWL_OPTICS )\n#endif\n IF ( TRIM( OPTICS_EXPECT ) .NE. TRIM( QUANTITY ) ) THEN\n MSG = 'Optical quantity read ' // TRIM( OPTICS_EXPECT )\n & // ' does match expected quantity, ' // TRIM( QUANTITY )\n CALL M3WARN( PNAME, 0, 0, MSG )\n ERROR_FLAG = .TRUE.\n END IF\n END DO\n\n READ( OPTICS_UNIT,'(A)' ) FILE_LINE\n\n QUANTITY = 'LIQ_ASY'\n \n DO ITT_LOAD = 1, NRADIUS_LIQUID\n READ( OPTICS_UNIT, 99950 )\n & OPTICS_EXPECT, RADIUS_LIQUID( ITT_LOAD ),\n & ( LIQUID_ASYMFACT( ITT_LOAD, IWL_LOAD), IWL_LOAD = 1, NWL_OPTICS )\n\n#ifdef verbose_phot\n write( log_unit, 99950 )\n & OPTICS_EXPECT, RADIUS_LIQUID( ITT_LOAD ),\n & ( LIQUID_ASYMFACT( ITT_LOAD, IWL_LOAD), IWL_LOAD = 1, NWL_OPTICS )\n#endif\n IF ( TRIM( OPTICS_EXPECT ) .NE. TRIM( QUANTITY ) ) THEN\n MSG = 'Optical quantity read ' // TRIM( OPTICS_EXPECT )\n & // ' does match expected quantity, ' // TRIM( QUANTITY )\n CALL M3WARN( PNAME, 0, 0, MSG )\n ERROR_FLAG = .TRUE.\n END IF\n END DO\n\n READ( OPTICS_UNIT,'(A)' ) FILE_LINE\n\n QUANTITY = 'LIQ_COA'\n \n DO ITT_LOAD = 1, NRADIUS_LIQUID\n READ( OPTICS_UNIT, 99950 )\n & OPTICS_EXPECT, RADIUS_LIQUID( ITT_LOAD ),\n & ( LIQUID_COALBEDO( ITT_LOAD, IWL_LOAD), IWL_LOAD = 1, NWL_OPTICS )\n\n#ifdef verbose_phot\n write( log_unit, 99950 )\n & OPTICS_EXPECT, RADIUS_LIQUID( ITT_LOAD ),\n & ( LIQUID_COALBEDO( ITT_LOAD, IWL_LOAD), IWL_LOAD = 1, NWL_OPTICS )\n#endif\n IF ( TRIM( OPTICS_EXPECT ) .NE. TRIM( QUANTITY ) ) THEN\n MSG = 'Optical quantity read ' // TRIM( OPTICS_EXPECT )\n & // ' does match expected quantity, ' // TRIM( QUANTITY )\n CALL M3WARN( PNAME, 0, 0, MSG )\n ERROR_FLAG = .TRUE.\n END IF\n END DO\n\n\n DO ITT_LOAD = 1, 6 ! skip next 6 lines\n READ( OPTICS_UNIT,'(A)' ) FILE_LINE\n END DO\n\n! read optical data for liquid droplets\n\n READ( FILE_LINE, 4999)NDIAMETER_ICE\n\n READ( OPTICS_UNIT,'(A)' ) FILE_LINE\n\n ALLOCATE(DIAMETER_ICE( NDIAMETER_ICE ))\n \n ALLOCATE( ICE_EXTINCT(NDIAMETER_ICE, NWL_OPTICS),\n & ICE_ASYMFACT(NDIAMETER_ICE, NWL_OPTICS),\n & ICE_COALBEDO(NDIAMETER_ICE, NWL_OPTICS))\n\n READ( OPTICS_UNIT,'(A)' ) FILE_LINE\n\n QUANTITY = 'ICE_EXT'\n \n DO ITT_LOAD = 1, NDIAMETER_ICE\n READ( OPTICS_UNIT, 99950 )\n & OPTICS_EXPECT, DIAMETER_ICE( ITT_LOAD ),\n & ( ICE_EXTINCT( ITT_LOAD, IWL_LOAD), IWL_LOAD = 1, NWL_OPTICS )\n\n#ifdef verbose_phot\n write( log_unit, 99950 )\n & OPTICS_EXPECT, DIAMETER_ICE( ITT_LOAD ),\n & ( ICE_EXTINCT( ITT_LOAD, IWL_LOAD), IWL_LOAD = 1, NWL_OPTICS )\n#endif\n IF ( TRIM( OPTICS_EXPECT ) .NE. TRIM( QUANTITY ) ) THEN\n MSG = 'Optical quantity read ' // TRIM( OPTICS_EXPECT )\n & // ' does match expected quantity, ' // TRIM( QUANTITY )\n CALL M3WARN( PNAME, 0, 0, MSG )\n ERROR_FLAG = .TRUE.\n END IF\n END DO\n \n READ( OPTICS_UNIT,'(A)' ) FILE_LINE\n\n QUANTITY = 'ICE_ASY'\n \n DO ITT_LOAD = 1, NDIAMETER_ICE\n READ( OPTICS_UNIT, 99950 )\n & OPTICS_EXPECT, DIAMETER_ICE( ITT_LOAD ),\n & ( ICE_ASYMFACT( ITT_LOAD, IWL_LOAD), IWL_LOAD = 1, NWL_OPTICS )\n\n#ifdef verbose_phot\n write( log_unit, 99950 )\n & OPTICS_EXPECT, DIAMETER_ICE( ITT_LOAD ),\n & ( ICE_ASYMFACT( ITT_LOAD, IWL_LOAD), IWL_LOAD = 1, NWL_OPTICS )\n#endif\n IF ( TRIM( OPTICS_EXPECT ) .NE. TRIM( QUANTITY ) ) THEN\n MSG = 'Optical quantity read ' // TRIM( OPTICS_EXPECT )\n & // ' does match expected quantity, ' // TRIM( QUANTITY )\n CALL M3WARN( PNAME, 0, 0, MSG )\n ERROR_FLAG = .TRUE.\n END IF\n END DO\n\n READ( OPTICS_UNIT,'(A)' ) FILE_LINE\n\n QUANTITY = 'ICE_COA'\n \n DO ITT_LOAD = 1, NDIAMETER_ICE\n READ( OPTICS_UNIT, 99950 )\n & OPTICS_EXPECT, DIAMETER_ICE( ITT_LOAD ),\n & ( ICE_COALBEDO( ITT_LOAD, IWL_LOAD), IWL_LOAD = 1, NWL_OPTICS )\n\n#ifdef verbose_phot\n write( log_unit, 99950 )\n & OPTICS_EXPECT, DIAMETER_ICE( ITT_LOAD ),\n & ( ICE_COALBEDO( ITT_LOAD, IWL_LOAD), IWL_LOAD = 1, NWL_OPTICS )\n#endif\n IF ( TRIM( OPTICS_EXPECT ) .NE. TRIM( QUANTITY ) ) THEN\n MSG = 'Optical quantity read ' // TRIM( OPTICS_EXPECT )\n & // ' does match expected quantity, ' // TRIM( QUANTITY )\n CALL M3WARN( PNAME, 0, 0, MSG )\n ERROR_FLAG = .TRUE.\n END IF\n END DO\n\n! read data for calculating surface \n\n DO ITT_LOAD = 1, 5 ! skip next 5 lines\n READ( OPTICS_UNIT,'(A)' ) FILE_LINE\n END DO\n\n READ( OPTICS_UNIT,5013 ) NUMB_LANDUSE_REF\n\n DO ITT_LOAD = 1, 3 ! skip next 3 lines\n READ( OPTICS_UNIT,'(A)' ) FILE_LINE\n END DO\n\n READ( OPTICS_UNIT,5013 ) INDEX_GRASSLAND_REF\n READ( OPTICS_UNIT,5013 ) INDEX_OCEAN_REF\n READ( OPTICS_UNIT,5013 ) INDEX_SEA_ICE\n\n#ifdef verbose_phot\n write( log_unit,6013 )'NUMB_LANDUSE_REF = ', numb_landuse_ref\n write( log_unit,6013 )'INDEX_GRASSLAND_REF = ', index_grassland_ref\n write( log_unit,6013 )'INDEX_OCEAN_REF = ', index_ocean_ref\n write( log_unit,6013 )'INDEX_SEA_ICE = ', index_sea_ice\n#endif\n\n ALLOCATE( LANDUSE_REF ( NUMB_LANDUSE_REF ) )\n ALLOCATE( ZENITH_COEFF_REF( NUMB_LANDUSE_REF ) )\n ALLOCATE( SEASON_COEFF_REF( NUMB_LANDUSE_REF ) )\n ALLOCATE( SNOW_COEFF_REF ( NUMB_LANDUSE_REF ) )\n ALLOCATE( SPECTRAL_ALBEDO_REF( NWL_OPTICS, NUMB_LANDUSE_REF ) )\n\n READ( OPTICS_UNIT,'(A)' ) FILE_LINE ! skip line\n\n DO ITT_LOAD = 1, NUMB_LANDUSE_REF\n READ( OPTICS_UNIT,5012 ) LANDUSE_REF( ITT_LOAD ),\n & ZENITH_COEFF_REF( ITT_LOAD ),\n & SEASON_COEFF_REF( ITT_LOAD ),\n & SNOW_COEFF_REF( ITT_LOAD )\n#ifdef verbose_phot\n write( log_unit,5012 ) landuse_ref( itt_load ),\n & zenith_coeff_ref( itt_load ),\n & season_coeff_ref( itt_load ),\n & snow_coeff_ref( itt_load )\n#endif\n END DO\n\n READ( OPTICS_UNIT,'(A)' ) FILE_LINE ! skip line\n\n DO ITT_LOAD = 1, NUMB_LANDUSE_REF\n READ( OPTICS_UNIT,'(A30,1X,40(1PE12.6,2X))' ) LAND_EXPECT,\n & ( SPECTRAL_ALBEDO_REF(IWL_LOAD, ITT_LOAD), IWL_LOAD = 1, NWL_REF )\n\n#ifdef verbose_phot\n write( log_unit,'(a30,1x,40(1pe12.6,2x))' ) trim( land_expect ),\n & ( spectral_albedo_ref(iwl_load, itt_load), iwl_load = 1, nwl_ref )\n#endif\n\n END DO\n\n DO ITT_LOAD = 1, 3 ! skip next 3 lines\n READ( OPTICS_UNIT,'(A)' ) FILE_LINE\n END DO\n\n READ( OPTICS_UNIT,5013 ) NUMB_LANDUSE_NLCD50\n READ( OPTICS_UNIT,'(A)' ) FILE_LINE ! skip line\n\n#ifdef verbose_phot\n write( log_unit,6013 ) 'NUMB_NLCD50_MODIS = ', numb_landuse_NLCD50\n write( log_unit,6009 ) '! I', 'LANDUSE_NLCD50-MODIS', 'INDEX_ALBREF',\n & 'FAC_ALBREF'\n#endif\n\n ALLOCATE( LANDUSE_NLCD50( NUMB_LANDUSE_NLCD50 ) )\n ALLOCATE( ALBMAP_REF2NLCD50( NUMB_LANDUSE_NLCD50 ) )\n ALLOCATE( ALBFAC_REF2NLCD50( NUMB_LANDUSE_NLCD50 ) )\n\n DO ITT_LOAD = 1, NUMB_LANDUSE_NLCD50\n READ( OPTICS_UNIT,5016 ) LANDUSE_NLCD50( ITT_LOAD ),\n & ALBMAP_REF2NLCD50( ITT_LOAD ),\n & ALBFAC_REF2NLCD50( ITT_LOAD )\n\n#ifdef verbose_phot\n write( log_unit,6016 ) itt_load, landuse_NLCD50( itt_load ),\n & albmap_ref2NLCD50( itt_load ),\n & albfac_ref2NLCD50( itt_load )\n#endif\n\n END DO\n\n READ( OPTICS_UNIT,5013 ) NUMB_LANDUSE_USGS\n READ( OPTICS_UNIT,'(A)' ) FILE_LINE ! skip line\n\n#ifdef verbose_phot\n write( log_unit,6013 ) 'NUMB_USGS = ', numb_landuse_usgs\n write( log_unit,6009 ) '! I','LANDUSE_USGS', 'INDEX_ALBREF', 'FAC_ALBREF'\n#endif\n\n ALLOCATE( LANDUSE_USGS ( NUMB_LANDUSE_USGS ) )\n ALLOCATE( ALBMAP_REF2USGS( NUMB_LANDUSE_USGS ) )\n ALLOCATE( ALBFAC_REF2USGS( NUMB_LANDUSE_USGS ) )\n\n DO ITT_LOAD = 1, NUMB_LANDUSE_USGS\n READ( OPTICS_UNIT,5016 ) LANDUSE_USGS( ITT_LOAD ),\n & ALBMAP_REF2USGS( ITT_LOAD ),\n & ALBFAC_REF2USGS( ITT_LOAD )\n\n#ifdef verbose_phot\n write( log_unit,6016 ) itt_load, landuse_usgs( itt_load ),\n & albmap_ref2usgs( itt_load ),\n & albfac_ref2usgs( itt_load )\n#endif\n\n END DO\n\n READ( OPTICS_UNIT,5013 ) NUMB_LANDUSE_MODIS\n READ( OPTICS_UNIT,'(A)' ) FILE_LINE ! skip line\n\n#ifdef verbose_phot\n write( log_unit,6013 ) 'NUMB_MODIS = ', numb_landuse_modis\n write( log_unit,6009 ) '! I','LANDUSE_MODIS', 'INDEX_ALBREF', 'FAC_ALBREF'\n#endif\n\n ALLOCATE( LANDUSE_MODIS ( NUMB_LANDUSE_MODIS ) )\n ALLOCATE( ALBMAP_REF2MODIS( NUMB_LANDUSE_MODIS ) )\n ALLOCATE( ALBFAC_REF2MODIS( NUMB_LANDUSE_MODIS ) )\n\n DO ITT_LOAD = 1, NUMB_LANDUSE_MODIS\n READ( OPTICS_UNIT,5016 ) LANDUSE_MODIS( ITT_LOAD ),\n & ALBMAP_REF2MODIS( ITT_LOAD ),\n & ALBFAC_REF2MODIS( ITT_LOAD )\n\n#ifdef verbose_phot\n write( log_unit,6016 ) itt_load, landuse_modis( itt_load ),\n & albmap_ref2modis( itt_load ),\n & albfac_ref2modis( itt_load )\n#endif\n\n END DO\n\n NO_NLCD40 = .TRUE. ! default condition that file does not contain NLCD40 Landuse data\n \n READ( OPTICS_UNIT,5013, END = 101 ) NUMB_LANDUSE_NLCD40\n READ( OPTICS_UNIT,'(A)' ) FILE_LINE ! skip line\n\n#ifdef verbose_phot\n write( log_unit,6013 ) 'NUMB_NLCD40_MODIS = ', numb_landuse_NLCD40\n write( log_unit,6009 ) '! I', 'LANDUSE_NLCD40-MODIS', 'INDEX_ALBREF',\n & 'FAC_ALBREF'\n#endif\n\n ALLOCATE( LANDUSE_NLCD40( NUMB_LANDUSE_NLCD40 ) )\n ALLOCATE( ALBMAP_REF2NLCD40( NUMB_LANDUSE_NLCD40 ) )\n ALLOCATE( ALBFAC_REF2NLCD40( NUMB_LANDUSE_NLCD40 ) )\n\n DO ITT_LOAD = 1, NUMB_LANDUSE_NLCD40\n READ( OPTICS_UNIT,5016 ) LANDUSE_NLCD40( ITT_LOAD ),\n & ALBMAP_REF2NLCD40( ITT_LOAD ),\n & ALBFAC_REF2NLCD40( ITT_LOAD )\n\n#ifdef verbose_phot\n write( log_unit,6016 ) itt_load, landuse_NLCD40( itt_load ),\n & albmap_ref2NLCD40( itt_load ),\n & albfac_ref2NLCD40( itt_load )\n#endif\n\n END DO\n \n NO_NLCD40 = .FALSE.\n\n101 IF( NO_NLCD40 )THEN\n MSG = TRIM( PNAME ) // ':'\n & // TRIM( OPTICS_FILE )\n & // ' does not contain data for NLCD40 land use and'\n & // ' corresponds to CMAQ version 5.01.'\n CALL M3MESG( MSG )\n END IF\n\n! set the default values for surface albedo\n\n DO IWL_LOAD = 1, NWL_OPTICS\n IF ( WAVELENGTH( IWL_LOAD ) .LE. 380.1 ) THEN\n ALB( IWL_LOAD ) = 0.05\n ELSE\n ALB( IWL_LOAD ) = 0.10\n END IF\n END DO\n\n\n WRITE( LOG_UNIT,* ) 'Sucessfully Loaded OPTICS_DATA file'\n \n CLOSE(LOG_UNIT)\n CLOSE(OPTICS_UNIT)\n\n4999 FORMAT(17X,I3,2X,17X,I3)\n5012 FORMAT( 4X,A30,1X,3(F8.3,2X) )\n5013 FORMAT( 22X,I3 )\n5016 FORMAT( 4X,A60,1X,I3,2X,3(F8.3,2X) )\n99946 FORMAT(4x,3(f8.3,2x),2x,2(es12.4,2x),f8.3,2x,12(es12.4,2x))\n99947 FORMAT(a3, 1x, a16)\n99948 FORMAT(10(a16,1x))\n99949 FORMAT(4x,3(f8.3,2x),2x,2(es12.4,2x),f8.3,2x,12(es12.4,2x))\n99950 FORMAT(a8,1x,f10.3,1x,40(1pe12.6,2x))\n\n#ifdef verbose_phot\n6009 format( a3,', ',8(a,', ') )\n6013 format( a22,1x,i3 )\n6016 format( i3,1x,a60,1x,i3,2x,3(f8.3,2x) )\n#endif\n\n RETURN\n END SUBROUTINE LOAD_OPTICS_DATA\n\n \n END MODULE CHECK_CSQY_DATA\n" }, { "path": "UTIL/inline_phot_preproc/src/CSQY_DATA-p05cm-UCI.f", "content": " MODULE CSQY_DATA\n\n IMPLICIT NONE\n\nC.....PARAMETERS and their descriptions:\n\n INTEGER, PARAMETER :: NPHOT_REF = 84 ! # ref phot reactions \n\n INTEGER, PARAMETER :: NTEMP_REF = 3 ! # ref temperatures \n\n INTEGER, PARAMETER :: NWL_REF = 7 ! # ref wavelengths \n\nC...Names of the mapped photolysis reactions (available to chemical)\nC... mechanisms) and their pointers to the reference photolysis rxn\n\n\n INTEGER, PARAMETER :: INO2_06 = 1 ! pointer to NO2-06 \n INTEGER, PARAMETER :: INO3NO_06 = 2 ! pointer to NO3NO-06 \n INTEGER, PARAMETER :: INO3NO2_6 = 3 ! pointer to NO3NO2-6 \n INTEGER, PARAMETER :: IO3O1D_06 = 4 ! pointer to O3O1D-06 \n INTEGER, PARAMETER :: IO3O3P_06 = 5 ! pointer to O3O3P-06 \n INTEGER, PARAMETER :: IHONO_06 = 6 ! pointer to HONO-06 \n INTEGER, PARAMETER :: IHNO3 = 7 ! pointer to HNO3 \n INTEGER, PARAMETER :: IHNO4_06 = 8 ! pointer to HNO4-06 \n INTEGER, PARAMETER :: IH2O2 = 9 ! pointer to H2O2 \n INTEGER, PARAMETER :: INO2EX = 10 ! pointer to NO2EX \n INTEGER, PARAMETER :: IPAN = 11 ! pointer to PAN \n INTEGER, PARAMETER :: IHCHOR_06 = 12 ! pointer to HCHOR-06 \n INTEGER, PARAMETER :: IHCHOM_06 = 13 ! pointer to HCHOM-06 \n INTEGER, PARAMETER :: ICCHO_R = 14 ! pointer to CCHO_R \n INTEGER, PARAMETER :: IC2CHO = 15 ! pointer to C2CHO \n INTEGER, PARAMETER :: IACET_06 = 16 ! pointer to ACET-06 \n INTEGER, PARAMETER :: IMEK_06 = 17 ! pointer to MEK-06 \n INTEGER, PARAMETER :: ICOOH = 18 ! pointer to COOH \n INTEGER, PARAMETER :: IGLY_07R = 19 ! pointer to GLY-07R \n INTEGER, PARAMETER :: IGLY_07M = 20 ! pointer to GLY-07M \n INTEGER, PARAMETER :: IMGLY_06 = 21 ! pointer to MGLY-06 \n INTEGER, PARAMETER :: IBACL_07 = 22 ! pointer to BACL-07 \n INTEGER, PARAMETER :: IBALD_06 = 23 ! pointer to BALD-06 \n INTEGER, PARAMETER :: IAFG1 = 24 ! pointer to AFG1 \n INTEGER, PARAMETER :: IMACR_06 = 25 ! pointer to MACR-06 \n INTEGER, PARAMETER :: IMVK_06 = 26 ! pointer to MVK-06 \n INTEGER, PARAMETER :: IIC3ONO2 = 27 ! pointer to IC3ONO2 \n INTEGER, PARAMETER :: IHOCCHO_IUPAC = 28 ! pointer to HOCCHO_IUPAC \n INTEGER, PARAMETER :: IACRO_09 = 29 ! pointer to ACRO-09 \n INTEGER, PARAMETER :: IPAA = 30 ! pointer to PAA \n INTEGER, PARAMETER :: ICL2 = 31 ! pointer to CL2 \n INTEGER, PARAMETER :: ICLNO_06 = 32 ! pointer to CLNO-06 \n INTEGER, PARAMETER :: ICLONO = 33 ! pointer to CLONO \n INTEGER, PARAMETER :: ICLNO2 = 34 ! pointer to CLNO2 \n INTEGER, PARAMETER :: ICLONO2_1 = 35 ! pointer to CLONO2-1 \n INTEGER, PARAMETER :: ICLONO2_2 = 36 ! pointer to CLONO2-2 \n INTEGER, PARAMETER :: IHOCL_06 = 37 ! pointer to HOCL-06 \n INTEGER, PARAMETER :: ICLCCHO = 38 ! pointer to CLCCHO \n INTEGER, PARAMETER :: ICLACET = 39 ! pointer to CLACET \n INTEGER, PARAMETER :: INO2_SAPRC99 = 40 ! pointer to NO2_SAPRC99 \n INTEGER, PARAMETER :: INO3NO_SAPRC99 = 41 ! pointer to NO3NO_SAPRC99 \n INTEGER, PARAMETER :: INO3NO2_SAPRC99 = 42 ! pointer to NO3NO2_SAPRC99 \n INTEGER, PARAMETER :: IO3O3P_SAPRC99 = 43 ! pointer to O3O3P_SAPRC99 \n INTEGER, PARAMETER :: IO3O1D_SAPRC99 = 44 ! pointer to O3O1D_SAPRC99 \n INTEGER, PARAMETER :: IHONO_NO_SAPRC99 = 45 ! pointer to HONO_NO_SAPRC99 \n INTEGER, PARAMETER :: IHONO_NO2_SAPRC99 = 46 ! pointer to HONO_NO2_SAPRC99\n INTEGER, PARAMETER :: IHNO3_SAPRC99 = 47 ! pointer to HNO3_SAPRC99 \n INTEGER, PARAMETER :: IHO2NO2_SAPRC99 = 48 ! pointer to HO2NO2_SAPRC99 \n INTEGER, PARAMETER :: IH2O2_SAPRC99 = 49 ! pointer to H2O2_SAPRC99 \n INTEGER, PARAMETER :: IHCHO_R_SAPRC99 = 50 ! pointer to HCHO_R_SAPRC99 \n INTEGER, PARAMETER :: IHCHO_M_SAPRC99 = 51 ! pointer to HCHO_M_SAPRC99 \n INTEGER, PARAMETER :: ICCHO_R_SAPRC99 = 52 ! pointer to CCHO_R_SAPRC99 \n INTEGER, PARAMETER :: IC2CHO_SAPRC99 = 53 ! pointer to C2CHO_SAPRC99 \n INTEGER, PARAMETER :: IACETONE_SAPRC99 = 54 ! pointer to ACETONE_SAPRC99 \n INTEGER, PARAMETER :: IKETONE_SAPRC99 = 55 ! pointer to KETONE_SAPRC99 \n INTEGER, PARAMETER :: ICOOH_SAPRC99 = 56 ! pointer to COOH_SAPRC99 \n INTEGER, PARAMETER :: IGLY_R_SAPRC99 = 57 ! pointer to GLY_R_SAPRC99 \n INTEGER, PARAMETER :: IGLY_ABS_SAPRC99 = 58 ! pointer to GLY_ABS_SAPRC99 \n INTEGER, PARAMETER :: IMGLY_ADJ_SAPRC99 = 59 ! pointer to MGLY_ADJ_SAPRC99\n INTEGER, PARAMETER :: IBACL_ADJ_SAPRC99 = 60 ! pointer to BACL_ADJ_SAPRC99\n INTEGER, PARAMETER :: IBZCHO_SAPRC99 = 61 ! pointer to BZCHO_SAPRC99 \n INTEGER, PARAMETER :: IACROLEIN_SAPRC99 = 62 ! pointer to ACROLEIN_SAPRC99\n INTEGER, PARAMETER :: IIC3ONO2_SAPRC99 = 63 ! pointer to IC3ONO2_SAPRC99 \n INTEGER, PARAMETER :: IMGLY_ABS_SAPRC99 = 64 ! pointer to MGLY_ABS_SAPRC99\n INTEGER, PARAMETER :: IO3_O3P_IUPAC04 = 65 ! pointer to O3_O3P_IUPAC04 \n INTEGER, PARAMETER :: IO3_O1D_IUPAC04 = 66 ! pointer to O3_O1D_IUPAC04 \n INTEGER, PARAMETER :: IHONO_IUPAC04 = 67 ! pointer to HONO_IUPAC04 \n INTEGER, PARAMETER :: IHO2NO2_IUPAC04 = 68 ! pointer to HO2NO2_IUPAC04 \n INTEGER, PARAMETER :: IHNO3_IUPAC04 = 69 ! pointer to HNO3_IUPAC04 \n INTEGER, PARAMETER :: IN2O5_IUPAC04 = 70 ! pointer to N2O5_IUPAC04 \n INTEGER, PARAMETER :: INTR_IUPAC04 = 71 ! pointer to NTR_IUPAC04 \n INTEGER, PARAMETER :: IPAN_IUPAC04 = 72 ! pointer to PAN_IUPAC04 \n INTEGER, PARAMETER :: IPACD_CB05 = 73 ! pointer to PACD_CB05 \n INTEGER, PARAMETER :: IMGLY_IUPAC04 = 74 ! pointer to MGLY_IUPAC04 \n INTEGER, PARAMETER :: ICL2_IUPAC04 = 75 ! pointer to CL2_IUPAC04 \n INTEGER, PARAMETER :: IHOCL_IUPAC04 = 76 ! pointer to HOCL_IUPAC04 \n INTEGER, PARAMETER :: IFMCL_IUPAC04 = 77 ! pointer to FMCL_IUPAC04 \n INTEGER, PARAMETER :: INO2 = 78 ! pointer to NO2 \n INTEGER, PARAMETER :: IO3O1D = 79 ! pointer to O3O1D \n INTEGER, PARAMETER :: IO3O3P = 80 ! pointer to O3O3P \n INTEGER, PARAMETER :: IKETONE = 81 ! pointer to KETONE \n INTEGER, PARAMETER :: IMGLY_ABS = 82 ! pointer to MGLY_ABS \n INTEGER, PARAMETER :: IMGLY_ADJ = 83 ! pointer to MGLY_ADJ \n INTEGER, PARAMETER :: IACETONE = 84 ! pointer to ACETONE \n\n CHARACTER(16), SAVE :: PNAME_REF( NPHOT_REF )\n\n DATA PNAME_REF( INO2_06 ) / 'NO2-06 ' /\n DATA PNAME_REF( INO3NO_06 ) / 'NO3NO-06 ' /\n DATA PNAME_REF( INO3NO2_6 ) / 'NO3NO2-6 ' /\n DATA PNAME_REF( IO3O1D_06 ) / 'O3O1D-06 ' /\n DATA PNAME_REF( IO3O3P_06 ) / 'O3O3P-06 ' /\n DATA PNAME_REF( IHONO_06 ) / 'HONO-06 ' /\n DATA PNAME_REF( IHNO3 ) / 'HNO3 ' /\n DATA PNAME_REF( IHNO4_06 ) / 'HNO4-06 ' /\n DATA PNAME_REF( IH2O2 ) / 'H2O2 ' /\n DATA PNAME_REF( INO2EX ) / 'NO2EX ' /\n DATA PNAME_REF( IPAN ) / 'PAN ' /\n DATA PNAME_REF( IHCHOR_06 ) / 'HCHOR-06 ' /\n DATA PNAME_REF( IHCHOM_06 ) / 'HCHOM-06 ' /\n DATA PNAME_REF( ICCHO_R ) / 'CCHO_R ' /\n DATA PNAME_REF( IC2CHO ) / 'C2CHO ' /\n DATA PNAME_REF( IACET_06 ) / 'ACET-06 ' /\n DATA PNAME_REF( IMEK_06 ) / 'MEK-06 ' /\n DATA PNAME_REF( ICOOH ) / 'COOH ' /\n DATA PNAME_REF( IGLY_07R ) / 'GLY-07R ' /\n DATA PNAME_REF( IGLY_07M ) / 'GLY-07M ' /\n DATA PNAME_REF( IMGLY_06 ) / 'MGLY-06 ' /\n DATA PNAME_REF( IBACL_07 ) / 'BACL-07 ' /\n DATA PNAME_REF( IBALD_06 ) / 'BALD-06 ' /\n DATA PNAME_REF( IAFG1 ) / 'AFG1 ' /\n DATA PNAME_REF( IMACR_06 ) / 'MACR-06 ' /\n DATA PNAME_REF( IMVK_06 ) / 'MVK-06 ' /\n DATA PNAME_REF( IIC3ONO2 ) / 'IC3ONO2 ' /\n DATA PNAME_REF( IHOCCHO_IUPAC ) / 'HOCCHO_IUPAC ' /\n DATA PNAME_REF( IACRO_09 ) / 'ACRO-09 ' /\n DATA PNAME_REF( IPAA ) / 'PAA ' /\n DATA PNAME_REF( ICL2 ) / 'CL2 ' /\n DATA PNAME_REF( ICLNO_06 ) / 'CLNO-06 ' /\n DATA PNAME_REF( ICLONO ) / 'CLONO ' /\n DATA PNAME_REF( ICLNO2 ) / 'CLNO2 ' /\n DATA PNAME_REF( ICLONO2_1 ) / 'CLONO2-1 ' /\n DATA PNAME_REF( ICLONO2_2 ) / 'CLONO2-2 ' /\n DATA PNAME_REF( IHOCL_06 ) / 'HOCL-06 ' /\n DATA PNAME_REF( ICLCCHO ) / 'CLCCHO ' /\n DATA PNAME_REF( ICLACET ) / 'CLACET ' /\n DATA PNAME_REF( INO2_SAPRC99 ) / 'NO2_SAPRC99 ' /\n DATA PNAME_REF( INO3NO_SAPRC99 ) / 'NO3NO_SAPRC99 ' /\n DATA PNAME_REF( INO3NO2_SAPRC99 ) / 'NO3NO2_SAPRC99 ' /\n DATA PNAME_REF( IO3O3P_SAPRC99 ) / 'O3O3P_SAPRC99 ' /\n DATA PNAME_REF( IO3O1D_SAPRC99 ) / 'O3O1D_SAPRC99 ' /\n DATA PNAME_REF( IHONO_NO_SAPRC99 ) / 'HONO_NO_SAPRC99 ' /\n DATA PNAME_REF( IHONO_NO2_SAPRC99 ) / 'HONO_NO2_SAPRC99' /\n DATA PNAME_REF( IHNO3_SAPRC99 ) / 'HNO3_SAPRC99 ' /\n DATA PNAME_REF( IHO2NO2_SAPRC99 ) / 'HO2NO2_SAPRC99 ' /\n DATA PNAME_REF( IH2O2_SAPRC99 ) / 'H2O2_SAPRC99 ' /\n DATA PNAME_REF( IHCHO_R_SAPRC99 ) / 'HCHO_R_SAPRC99 ' /\n DATA PNAME_REF( IHCHO_M_SAPRC99 ) / 'HCHO_M_SAPRC99 ' /\n DATA PNAME_REF( ICCHO_R_SAPRC99 ) / 'CCHO_R_SAPRC99 ' /\n DATA PNAME_REF( IC2CHO_SAPRC99 ) / 'C2CHO_SAPRC99 ' /\n DATA PNAME_REF( IACETONE_SAPRC99 ) / 'ACETONE_SAPRC99 ' /\n DATA PNAME_REF( IKETONE_SAPRC99 ) / 'KETONE_SAPRC99 ' /\n DATA PNAME_REF( ICOOH_SAPRC99 ) / 'COOH_SAPRC99 ' /\n DATA PNAME_REF( IGLY_R_SAPRC99 ) / 'GLY_R_SAPRC99 ' /\n DATA PNAME_REF( IGLY_ABS_SAPRC99 ) / 'GLY_ABS_SAPRC99 ' /\n DATA PNAME_REF( IMGLY_ADJ_SAPRC99 ) / 'MGLY_ADJ_SAPRC99' /\n DATA PNAME_REF( IBACL_ADJ_SAPRC99 ) / 'BACL_ADJ_SAPRC99' /\n DATA PNAME_REF( IBZCHO_SAPRC99 ) / 'BZCHO_SAPRC99 ' /\n DATA PNAME_REF( IACROLEIN_SAPRC99 ) / 'ACROLEIN_SAPRC99' /\n DATA PNAME_REF( IIC3ONO2_SAPRC99 ) / 'IC3ONO2_SAPRC99 ' /\n DATA PNAME_REF( IMGLY_ABS_SAPRC99 ) / 'MGLY_ABS_SAPRC99' /\n DATA PNAME_REF( IO3_O3P_IUPAC04 ) / 'O3_O3P_IUPAC04 ' /\n DATA PNAME_REF( IO3_O1D_IUPAC04 ) / 'O3_O1D_IUPAC04 ' /\n DATA PNAME_REF( IHONO_IUPAC04 ) / 'HONO_IUPAC04 ' /\n DATA PNAME_REF( IHO2NO2_IUPAC04 ) / 'HO2NO2_IUPAC04 ' /\n DATA PNAME_REF( IHNO3_IUPAC04 ) / 'HNO3_IUPAC04 ' /\n DATA PNAME_REF( IN2O5_IUPAC04 ) / 'N2O5_IUPAC04 ' /\n DATA PNAME_REF( INTR_IUPAC04 ) / 'NTR_IUPAC04 ' /\n DATA PNAME_REF( IPAN_IUPAC04 ) / 'PAN_IUPAC04 ' /\n DATA PNAME_REF( IPACD_CB05 ) / 'PACD_CB05 ' /\n DATA PNAME_REF( IMGLY_IUPAC04 ) / 'MGLY_IUPAC04 ' /\n DATA PNAME_REF( ICL2_IUPAC04 ) / 'CL2_IUPAC04 ' /\n DATA PNAME_REF( IHOCL_IUPAC04 ) / 'HOCL_IUPAC04 ' /\n DATA PNAME_REF( IFMCL_IUPAC04 ) / 'FMCL_IUPAC04 ' /\n DATA PNAME_REF( INO2 ) / 'NO2 ' /\n DATA PNAME_REF( IO3O1D ) / 'O3O1D ' /\n DATA PNAME_REF( IO3O3P ) / 'O3O3P ' /\n DATA PNAME_REF( IKETONE ) / 'KETONE ' /\n DATA PNAME_REF( IMGLY_ABS ) / 'MGLY_ABS ' /\n DATA PNAME_REF( IMGLY_ADJ ) / 'MGLY_ADJ ' /\n DATA PNAME_REF( IACETONE ) / 'ACETONE ' /\n\nC...Setup the Mapping from CMAQ chemical reactions to the reference data\n\n INTEGER, PARAMETER :: NPHOT_MAP = 84 ! # phot mapped reactions \n\n CHARACTER(16), SAVE :: PNAME_MAP( NPHOT_MAP )\n INTEGER, SAVE :: PHOT_MAP( NPHOT_MAP )\n\n DATA PNAME_MAP( 1 ), PHOT_MAP( 1 ) / 'NO2-06 ', INO2_06 / \n DATA PNAME_MAP( 2 ), PHOT_MAP( 2 ) / 'NO3NO-06 ', INO3NO_06 / \n DATA PNAME_MAP( 3 ), PHOT_MAP( 3 ) / 'NO3NO2-6 ', INO3NO2_6 / \n DATA PNAME_MAP( 4 ), PHOT_MAP( 4 ) / 'O3O1D-06 ', IO3O1D_06 / \n DATA PNAME_MAP( 5 ), PHOT_MAP( 5 ) / 'O3O3P-06 ', IO3O3P_06 / \n DATA PNAME_MAP( 6 ), PHOT_MAP( 6 ) / 'HONO-06 ', IHONO_06 / \n DATA PNAME_MAP( 7 ), PHOT_MAP( 7 ) / 'HNO3 ', IHNO3 / \n DATA PNAME_MAP( 8 ), PHOT_MAP( 8 ) / 'HNO4-06 ', IHNO4_06 / \n DATA PNAME_MAP( 9 ), PHOT_MAP( 9 ) / 'H2O2 ', IH2O2 / \n DATA PNAME_MAP( 10 ), PHOT_MAP( 10 ) / 'NO2EX ', INO2EX / \n DATA PNAME_MAP( 11 ), PHOT_MAP( 11 ) / 'PAN ', IPAN / \n DATA PNAME_MAP( 12 ), PHOT_MAP( 12 ) / 'HCHOR-06 ', IHCHOR_06 / \n DATA PNAME_MAP( 13 ), PHOT_MAP( 13 ) / 'HCHOM-06 ', IHCHOM_06 / \n DATA PNAME_MAP( 14 ), PHOT_MAP( 14 ) / 'CCHO_R ', ICCHO_R / \n DATA PNAME_MAP( 15 ), PHOT_MAP( 15 ) / 'C2CHO ', IC2CHO / \n DATA PNAME_MAP( 16 ), PHOT_MAP( 16 ) / 'ACET-06 ', IACET_06 / \n DATA PNAME_MAP( 17 ), PHOT_MAP( 17 ) / 'MEK-06 ', IMEK_06 / \n DATA PNAME_MAP( 18 ), PHOT_MAP( 18 ) / 'COOH ', ICOOH / \n DATA PNAME_MAP( 19 ), PHOT_MAP( 19 ) / 'GLY-07R ', IGLY_07R / \n DATA PNAME_MAP( 20 ), PHOT_MAP( 20 ) / 'GLY-07M ', IGLY_07M / \n DATA PNAME_MAP( 21 ), PHOT_MAP( 21 ) / 'MGLY-06 ', IMGLY_06 / \n DATA PNAME_MAP( 22 ), PHOT_MAP( 22 ) / 'BACL-07 ', IBACL_07 / \n DATA PNAME_MAP( 23 ), PHOT_MAP( 23 ) / 'BALD-06 ', IBALD_06 / \n DATA PNAME_MAP( 24 ), PHOT_MAP( 24 ) / 'AFG1 ', IAFG1 / \n DATA PNAME_MAP( 25 ), PHOT_MAP( 25 ) / 'MACR-06 ', IMACR_06 / \n DATA PNAME_MAP( 26 ), PHOT_MAP( 26 ) / 'MVK-06 ', IMVK_06 / \n DATA PNAME_MAP( 27 ), PHOT_MAP( 27 ) / 'IC3ONO2 ', IIC3ONO2 / \n DATA PNAME_MAP( 28 ), PHOT_MAP( 28 ) / 'HOCCHO_IUPAC ', IHOCCHO_IUPAC / \n DATA PNAME_MAP( 29 ), PHOT_MAP( 29 ) / 'ACRO-09 ', IACRO_09 / \n DATA PNAME_MAP( 30 ), PHOT_MAP( 30 ) / 'PAA ', IPAA / \n DATA PNAME_MAP( 31 ), PHOT_MAP( 31 ) / 'CL2 ', ICL2 / \n DATA PNAME_MAP( 32 ), PHOT_MAP( 32 ) / 'CLNO-06 ', ICLNO_06 / \n DATA PNAME_MAP( 33 ), PHOT_MAP( 33 ) / 'CLONO ', ICLONO / \n DATA PNAME_MAP( 34 ), PHOT_MAP( 34 ) / 'CLNO2 ', ICLNO2 / \n DATA PNAME_MAP( 35 ), PHOT_MAP( 35 ) / 'CLONO2-1 ', ICLONO2_1 / \n DATA PNAME_MAP( 36 ), PHOT_MAP( 36 ) / 'CLONO2-2 ', ICLONO2_2 / \n DATA PNAME_MAP( 37 ), PHOT_MAP( 37 ) / 'HOCL-06 ', IHOCL_06 / \n DATA PNAME_MAP( 38 ), PHOT_MAP( 38 ) / 'CLCCHO ', ICLCCHO / \n DATA PNAME_MAP( 39 ), PHOT_MAP( 39 ) / 'CLACET ', ICLACET / \n DATA PNAME_MAP( 40 ), PHOT_MAP( 40 ) / 'NO2_SAPRC99 ', INO2_SAPRC99 / \n DATA PNAME_MAP( 41 ), PHOT_MAP( 41 ) / 'NO3NO_SAPRC99 ', INO3NO_SAPRC99 / \n DATA PNAME_MAP( 42 ), PHOT_MAP( 42 ) / 'NO3NO2_SAPRC99 ', INO3NO2_SAPRC99 / \n DATA PNAME_MAP( 43 ), PHOT_MAP( 43 ) / 'O3O3P_SAPRC99 ', IO3O3P_SAPRC99 / \n DATA PNAME_MAP( 44 ), PHOT_MAP( 44 ) / 'O3O1D_SAPRC99 ', IO3O1D_SAPRC99 / \n DATA PNAME_MAP( 45 ), PHOT_MAP( 45 ) / 'HONO_NO_SAPRC99 ', IHONO_NO_SAPRC99 / \n DATA PNAME_MAP( 46 ), PHOT_MAP( 46 ) / 'HONO_NO2_SAPRC99', IHONO_NO2_SAPRC99 / \n DATA PNAME_MAP( 47 ), PHOT_MAP( 47 ) / 'HNO3_SAPRC99 ', IHNO3_SAPRC99 / \n DATA PNAME_MAP( 48 ), PHOT_MAP( 48 ) / 'HO2NO2_SAPRC99 ', IHO2NO2_SAPRC99 / \n DATA PNAME_MAP( 49 ), PHOT_MAP( 49 ) / 'H2O2_SAPRC99 ', IH2O2_SAPRC99 / \n DATA PNAME_MAP( 50 ), PHOT_MAP( 50 ) / 'HCHO_R_SAPRC99 ', IHCHO_R_SAPRC99 / \n DATA PNAME_MAP( 51 ), PHOT_MAP( 51 ) / 'HCHO_M_SAPRC99 ', IHCHO_M_SAPRC99 / \n DATA PNAME_MAP( 52 ), PHOT_MAP( 52 ) / 'CCHO_R_SAPRC99 ', ICCHO_R_SAPRC99 / \n DATA PNAME_MAP( 53 ), PHOT_MAP( 53 ) / 'C2CHO_SAPRC99 ', IC2CHO_SAPRC99 / \n DATA PNAME_MAP( 54 ), PHOT_MAP( 54 ) / 'ACETONE_SAPRC99 ', IACETONE_SAPRC99 / \n DATA PNAME_MAP( 55 ), PHOT_MAP( 55 ) / 'KETONE_SAPRC99 ', IKETONE_SAPRC99 / \n DATA PNAME_MAP( 56 ), PHOT_MAP( 56 ) / 'COOH_SAPRC99 ', ICOOH_SAPRC99 / \n DATA PNAME_MAP( 57 ), PHOT_MAP( 57 ) / 'GLY_R_SAPRC99 ', IGLY_R_SAPRC99 / \n DATA PNAME_MAP( 58 ), PHOT_MAP( 58 ) / 'GLY_ABS_SAPRC99 ', IGLY_ABS_SAPRC99 / \n DATA PNAME_MAP( 59 ), PHOT_MAP( 59 ) / 'MGLY_ADJ_SAPRC99', IMGLY_ADJ_SAPRC99 / \n DATA PNAME_MAP( 60 ), PHOT_MAP( 60 ) / 'BACL_ADJ_SAPRC99', IBACL_ADJ_SAPRC99 / \n DATA PNAME_MAP( 61 ), PHOT_MAP( 61 ) / 'BZCHO_SAPRC99 ', IBZCHO_SAPRC99 / \n DATA PNAME_MAP( 62 ), PHOT_MAP( 62 ) / 'ACROLEIN_SAPRC99', IACROLEIN_SAPRC99 / \n DATA PNAME_MAP( 63 ), PHOT_MAP( 63 ) / 'IC3ONO2_SAPRC99 ', IIC3ONO2_SAPRC99 / \n DATA PNAME_MAP( 64 ), PHOT_MAP( 64 ) / 'MGLY_ABS_SAPRC99', IMGLY_ABS_SAPRC99 / \n DATA PNAME_MAP( 65 ), PHOT_MAP( 65 ) / 'O3_O3P_IUPAC04 ', IO3_O3P_IUPAC04 / \n DATA PNAME_MAP( 66 ), PHOT_MAP( 66 ) / 'O3_O1D_IUPAC04 ', IO3_O1D_IUPAC04 / \n DATA PNAME_MAP( 67 ), PHOT_MAP( 67 ) / 'HONO_IUPAC04 ', IHONO_IUPAC04 / \n DATA PNAME_MAP( 68 ), PHOT_MAP( 68 ) / 'HO2NO2_IUPAC04 ', IHO2NO2_IUPAC04 / \n DATA PNAME_MAP( 69 ), PHOT_MAP( 69 ) / 'HNO3_IUPAC04 ', IHNO3_IUPAC04 / \n DATA PNAME_MAP( 70 ), PHOT_MAP( 70 ) / 'N2O5_IUPAC04 ', IN2O5_IUPAC04 / \n DATA PNAME_MAP( 71 ), PHOT_MAP( 71 ) / 'NTR_IUPAC04 ', INTR_IUPAC04 / \n DATA PNAME_MAP( 72 ), PHOT_MAP( 72 ) / 'PAN_IUPAC04 ', IPAN_IUPAC04 / \n DATA PNAME_MAP( 73 ), PHOT_MAP( 73 ) / 'PACD_CB05 ', IPACD_CB05 / \n DATA PNAME_MAP( 74 ), PHOT_MAP( 74 ) / 'MGLY_IUPAC04 ', IMGLY_IUPAC04 / \n DATA PNAME_MAP( 75 ), PHOT_MAP( 75 ) / 'CL2_IUPAC04 ', ICL2_IUPAC04 / \n DATA PNAME_MAP( 76 ), PHOT_MAP( 76 ) / 'HOCL_IUPAC04 ', IHOCL_IUPAC04 / \n DATA PNAME_MAP( 77 ), PHOT_MAP( 77 ) / 'FMCL_IUPAC04 ', IFMCL_IUPAC04 / \n DATA PNAME_MAP( 78 ), PHOT_MAP( 78 ) / 'NO2 ', INO2 / \n DATA PNAME_MAP( 79 ), PHOT_MAP( 79 ) / 'O3O1D ', IO3O1D / \n DATA PNAME_MAP( 80 ), PHOT_MAP( 80 ) / 'O3O3P ', IO3O3P / \n DATA PNAME_MAP( 81 ), PHOT_MAP( 81 ) / 'KETONE ', IKETONE / \n DATA PNAME_MAP( 82 ), PHOT_MAP( 82 ) / 'MGLY_ABS ', IMGLY_ABS / \n DATA PNAME_MAP( 83 ), PHOT_MAP( 83 ) / 'MGLY_ADJ ', IMGLY_ADJ / \n DATA PNAME_MAP( 84 ), PHOT_MAP( 84 ) / 'ACETONE ', IACETONE / \n\n REAL, SAVE :: TEMP_REF( NTEMP_REF, NPHOT_REF ) ! reference temperatures\n\n REAL, SAVE :: CS_REF( NPHOT_REF, NTEMP_REF, NWL_REF ) ! effective cross sections\n\n REAL, SAVE :: QY_REF( NPHOT_REF, NTEMP_REF, NWL_REF ) ! effective quantum yields\n\n REAL, SAVE :: ECS_REF( NPHOT_REF, NTEMP_REF, NWL_REF ) ! CS*QY averaged UCI Solar Flux\n\nC... effective quantum yields were computed by performing separate\nC... interval integrations for the cross sections and for the\nC... effective cross sections (cs*qy) (calculated on the finer\nC... wavelength grid. The effective quantum yield values\nC... were then calculated for the 7 wavelength intervals by \nC... dividing the effective cross sections by the interval average\nC... cross sections (eQY=eCS/CS).\n\n REAL, SAVE :: EQY_REF( NPHOT_REF, NTEMP_REF, NWL_REF ) ! eCS/CS averaged 77 bins in UCI Model\n\n\n INTEGER :: IWLR ! wavelength loop variable\n INTEGER :: ITTR ! temperature loop variable\n\nC...NO2-06\nC.. NO2 + HV = NO + O\nC.. From NASA (2006).\nC.. Absorption cross sections are averages for wavelength intervals given.\nC.. Data alligned to smallest wavelength intervals for abs. coefs and qy's.\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, INO2_06 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( INO2_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.075248E-19, 1.484195E-19, 1.882053E-19, 2.274755E-19, \n & 3.449308E-19, 5.754674E-19, 1.195356E-20 /\n DATA ( CS_REF( INO2_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.075248E-19, 1.484195E-19, 1.882053E-19, 2.274755E-19, \n & 3.449308E-19, 5.754674E-19, 1.195356E-20 /\n DATA ( CS_REF( INO2_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.075248E-19, 1.484195E-19, 1.882053E-19, 2.274755E-19, \n & 3.449308E-19, 5.754674E-19, 1.195356E-20 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( INO2_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 8.174767E-01, 7.500220E-04 /\n DATA ( QY_REF( INO2_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 8.174767E-01, 7.500220E-04 /\n DATA ( QY_REF( INO2_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 8.174767E-01, 7.500220E-04 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( INO2_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.075248E-19, 1.484195E-19, 1.882053E-19, 2.274755E-19, \n & 3.449308E-19, 4.644383E-19, 4.476030E-22 /\n DATA ( ECS_REF( INO2_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.075248E-19, 1.484195E-19, 1.882053E-19, 2.274755E-19, \n & 3.449308E-19, 4.644383E-19, 4.476030E-22 /\n DATA ( ECS_REF( INO2_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.075248E-19, 1.484195E-19, 1.882053E-19, 2.274755E-19, \n & 3.449308E-19, 4.644383E-19, 4.476030E-22 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( INO2_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 8.070627E-01, 3.744516E-02 /\n DATA ( EQY_REF( INO2_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 8.070627E-01, 3.744516E-02 /\n DATA ( EQY_REF( INO2_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 8.070627E-01, 3.744516E-02 /\n\n\nC...NO3NO-06\nC.. NO3 + HV = NO + O2\nC.. From NASA (2006), for 298 K.\nC.. Quantum yields for wavelengths above 640 nm estimated by linear extrapolation.\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, INO3NO_06 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( INO3NO_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 6.269962E-19 /\n DATA ( CS_REF( INO3NO_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 6.269962E-19 /\n DATA ( CS_REF( INO3NO_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 6.269962E-19 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( INO3NO_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 2.298857E-02 /\n DATA ( QY_REF( INO3NO_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 2.298857E-02 /\n DATA ( QY_REF( INO3NO_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 2.298857E-02 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( INO3NO_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 9.811753E-20 /\n DATA ( ECS_REF( INO3NO_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 9.811753E-20 /\n DATA ( ECS_REF( INO3NO_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 9.811753E-20 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( INO3NO_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 1.564883E-01 /\n DATA ( EQY_REF( INO3NO_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 1.564883E-01 /\n DATA ( EQY_REF( INO3NO_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 1.564883E-01 /\n\n\nC...NO3NO2-6\nC.. NO3 + HV = NO2 + O\nC.. From NASA (2006), for 298 K.\nC.. Quantum yields for wavelengths above 640 nm estimated by linear extrapolation.\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, INO3NO2_6 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( INO3NO2_6, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 4.027451E-21, 1.227490E-18 /\n DATA ( CS_REF( INO3NO2_6, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 4.027451E-21, 1.227490E-18 /\n DATA ( CS_REF( INO3NO2_6, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 4.027451E-21, 1.227490E-18 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( INO3NO2_6, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 2.130039E-01, 4.268056E-01 /\n DATA ( QY_REF( INO3NO2_6, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 2.130039E-01, 4.268056E-01 /\n DATA ( QY_REF( INO3NO2_6, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 2.130039E-01, 4.268056E-01 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( INO3NO2_6, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 4.021672E-21, 7.834468E-19 /\n DATA ( ECS_REF( INO3NO2_6, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 4.021672E-21, 7.834468E-19 /\n DATA ( ECS_REF( INO3NO2_6, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 4.021672E-21, 7.834468E-19 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( INO3NO2_6, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 9.985652E-01, 6.382512E-01 /\n DATA ( EQY_REF( INO3NO2_6, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 9.985652E-01, 6.382512E-01 /\n DATA ( EQY_REF( INO3NO2_6, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 9.985652E-01, 6.382512E-01 /\n\n\nC...O3O1D-06\nC.. O3 + HV = O1D + O2\nC.. NASA (2006) abs. Coefs and IUPAC (2006) quantum yields\nC.. Absorption cross sections from NASA (2006).\nC.. Quantum yields are from IUPAC (2006) recommendation, interpolated\nC.. to the NASA (2006) absorption cross section wavelengths.\nC.. NASA (2006) does not give useable recommendations for the absorption\nC.. cross sections, except at <305 and >329 nm, where they are consistent\nC.. with the IUPAC recommendations.\nC.. Formation of O1D assumed not to occur at the high wavelength band.\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IO3O1D_06 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IO3O1D_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.538728E-19, 2.750705E-19, 1.063739E-19, 4.625938E-20, \n & 6.599046E-21, 5.460110E-23, 0.000000E+00 /\n DATA ( CS_REF( IO3O1D_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 8.538728E-19, 2.750705E-19, 1.063739E-19, 4.625938E-20, \n & 6.599046E-21, 5.460110E-23, 0.000000E+00 /\n DATA ( CS_REF( IO3O1D_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 8.538728E-19, 2.750705E-19, 1.063739E-19, 4.625938E-20, \n & 6.599046E-21, 5.460110E-23, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IO3O1D_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.000000E-01, 8.929066E-01, 5.359897E-01, 2.218182E-01, \n & 8.688402E-02, 4.278573E-02, 0.000000E+00 /\n DATA ( QY_REF( IO3O1D_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 9.000000E-01, 8.929066E-01, 5.359897E-01, 2.218182E-01, \n & 8.688402E-02, 4.278573E-02, 0.000000E+00 /\n DATA ( QY_REF( IO3O1D_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 9.000000E-01, 8.929066E-01, 5.359897E-01, 2.218182E-01, \n & 8.688402E-02, 4.278573E-02, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IO3O1D_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 7.684855E-19, 2.464146E-19, 6.078741E-20, 1.068696E-20, \n & 6.625140E-22, 4.350830E-24, 0.000000E+00 /\n DATA ( ECS_REF( IO3O1D_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 7.684855E-19, 2.464146E-19, 6.078741E-20, 1.068696E-20, \n & 6.625140E-22, 4.350830E-24, 0.000000E+00 /\n DATA ( ECS_REF( IO3O1D_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 7.684855E-19, 2.464146E-19, 6.078741E-20, 1.068696E-20, \n & 6.625140E-22, 4.350830E-24, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IO3O1D_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.000000E-01, 8.958234E-01, 5.714505E-01, 2.310225E-01, \n & 1.003954E-01, 7.968391E-02, 0.000000E+00 /\n DATA ( EQY_REF( IO3O1D_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 9.000000E-01, 8.958234E-01, 5.714505E-01, 2.310225E-01, \n & 1.003954E-01, 7.968391E-02, 0.000000E+00 /\n DATA ( EQY_REF( IO3O1D_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 9.000000E-01, 8.958234E-01, 5.714505E-01, 2.310225E-01, \n & 1.003954E-01, 7.968391E-02, 0.000000E+00 /\n\n\nC...O3O3P-06\nC.. O3 + HV = O3P + O2\nC.. Absorption cross sections from NASA (2006).\nC.. Quantum yields are derived from the O1D quantum yields in the low wavelength re\nC.. Unit quantum yields assumed in high wavelength region.\nC.. Absorption cross sections below 829 nm are extrapolated\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IO3O3P_06 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IO3O3P_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.407954E-19, 2.749065E-19, 1.063739E-19, 4.625938E-20, \n & 6.803406E-21, 6.139220E-23, 1.666851E-21 /\n DATA ( CS_REF( IO3O3P_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 8.407954E-19, 2.749065E-19, 1.063739E-19, 4.625938E-20, \n & 6.803406E-21, 6.139220E-23, 1.666851E-21 /\n DATA ( CS_REF( IO3O3P_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 8.407954E-19, 2.749065E-19, 1.063739E-19, 4.625938E-20, \n & 6.803406E-21, 6.139220E-23, 1.666851E-21 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IO3O3P_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E-01, 1.070934E-01, 4.640103E-01, 7.781818E-01, \n & 9.123903E-01, 9.572143E-01, 9.795594E-01 /\n DATA ( QY_REF( IO3O3P_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E-01, 1.070934E-01, 4.640103E-01, 7.781818E-01, \n & 9.123903E-01, 9.572143E-01, 9.795594E-01 /\n DATA ( QY_REF( IO3O3P_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E-01, 1.070934E-01, 4.640103E-01, 7.781818E-01, \n & 9.123903E-01, 9.572143E-01, 9.795594E-01 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IO3O3P_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.407954E-20, 2.863951E-20, 4.558648E-20, 3.557242E-20, \n & 6.109183E-21, 5.704138E-23, 1.666851E-21 /\n DATA ( ECS_REF( IO3O3P_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 8.407954E-20, 2.863951E-20, 4.558648E-20, 3.557242E-20, \n & 6.109183E-21, 5.704138E-23, 1.666851E-21 /\n DATA ( ECS_REF( IO3O3P_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 8.407954E-20, 2.863951E-20, 4.558648E-20, 3.557242E-20, \n & 6.109183E-21, 5.704138E-23, 1.666851E-21 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IO3O3P_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E-01, 1.041791E-01, 4.285495E-01, 7.689775E-01, \n & 8.979595E-01, 9.291306E-01, 1.000000E+00 /\n DATA ( EQY_REF( IO3O3P_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E-01, 1.041791E-01, 4.285495E-01, 7.689775E-01, \n & 8.979595E-01, 9.291306E-01, 1.000000E+00 /\n DATA ( EQY_REF( IO3O3P_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E-01, 1.041791E-01, 4.285495E-01, 7.689775E-01, \n & 8.979595E-01, 9.291306E-01, 1.000000E+00 /\n\n\nC...HONO-06\nC.. HONO + HV = HO. + NO\nC.. NASA (2006) recommended absorption cross sections. No recommendation on quantum yields.\nC.. IUPAC (2005) recommendation (Data Sheet PNOx1, July, 2001) recommends unit quantum yield\nC.. for OH + NO.\nC.. (IUPAC recommended absorption cross sections are low resolution, so NASA values are\nC.. preferred)\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IHONO_06 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IHONO_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.486961E-21, 9.335561E-21, 1.881716E-20, 3.188688E-20, \n & 9.007190E-20, 6.903974E-20, 0.000000E+00 /\n DATA ( CS_REF( IHONO_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 5.486961E-21, 9.335561E-21, 1.881716E-20, 3.188688E-20, \n & 9.007190E-20, 6.903974E-20, 0.000000E+00 /\n DATA ( CS_REF( IHONO_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 5.486961E-21, 9.335561E-21, 1.881716E-20, 3.188688E-20, \n & 9.007190E-20, 6.903974E-20, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IHONO_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 6.771221E-01, 0.000000E+00 /\n DATA ( QY_REF( IHONO_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 6.771221E-01, 0.000000E+00 /\n DATA ( QY_REF( IHONO_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 6.771221E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IHONO_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.486961E-21, 9.335561E-21, 1.881716E-20, 3.188688E-20, \n & 9.007190E-20, 6.903974E-20, 0.000000E+00 /\n DATA ( ECS_REF( IHONO_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 5.486961E-21, 9.335561E-21, 1.881716E-20, 3.188688E-20, \n & 9.007190E-20, 6.903974E-20, 0.000000E+00 /\n DATA ( ECS_REF( IHONO_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 5.486961E-21, 9.335561E-21, 1.881716E-20, 3.188688E-20, \n & 9.007190E-20, 6.903974E-20, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IHONO_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IHONO_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IHONO_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 0.000000E+00 /\n\n\nC...HNO3\nC.. HNO3 + HV = products\nC.. IUPAC (1997) Recommendation\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IHNO3 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IHNO3, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.358850E-21, 1.954554E-21, 8.462462E-22, 3.649777E-22, \n & 4.770195E-23, 3.875268E-25, 0.000000E+00 /\n DATA ( CS_REF( IHNO3, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.358850E-21, 1.954554E-21, 8.462462E-22, 3.649777E-22, \n & 4.770195E-23, 3.875268E-25, 0.000000E+00 /\n DATA ( CS_REF( IHNO3, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.358850E-21, 1.954554E-21, 8.462462E-22, 3.649777E-22, \n & 4.770195E-23, 3.875268E-25, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IHNO3, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.142428E-01, 0.000000E+00 /\n DATA ( QY_REF( IHNO3, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.142428E-01, 0.000000E+00 /\n DATA ( QY_REF( IHNO3, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.142428E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IHNO3, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.358850E-21, 1.954554E-21, 8.462462E-22, 3.649777E-22, \n & 4.770195E-23, 3.875251E-25, 0.000000E+00 /\n DATA ( ECS_REF( IHNO3, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.358850E-21, 1.954554E-21, 8.462462E-22, 3.649777E-22, \n & 4.770195E-23, 3.875251E-25, 0.000000E+00 /\n DATA ( ECS_REF( IHNO3, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.358850E-21, 1.954554E-21, 8.462462E-22, 3.649777E-22, \n & 4.770195E-23, 3.875251E-25, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IHNO3, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999956E-01, 0.000000E+00 /\n DATA ( EQY_REF( IHNO3, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999956E-01, 0.000000E+00 /\n DATA ( EQY_REF( IHNO3, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999956E-01, 0.000000E+00 /\n\n\nC...HNO4-06\nC.. HO2NO2 + HV = PRODUCTS\nC.. NASA (2006)\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IHNO4_06 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IHNO4_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.685089E-20, 1.173542E-20, 5.713448E-21, 3.110138E-21, \n & 8.269172E-22, 2.119340E-23, 0.000000E+00 /\n DATA ( CS_REF( IHNO4_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 2.685089E-20, 1.173542E-20, 5.713448E-21, 3.110138E-21, \n & 8.269172E-22, 2.119340E-23, 0.000000E+00 /\n DATA ( CS_REF( IHNO4_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 2.685089E-20, 1.173542E-20, 5.713448E-21, 3.110138E-21, \n & 8.269172E-22, 2.119340E-23, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IHNO4_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.684180E-01, 0.000000E+00 /\n DATA ( QY_REF( IHNO4_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.684180E-01, 0.000000E+00 /\n DATA ( QY_REF( IHNO4_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.684180E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IHNO4_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.685089E-20, 1.173542E-20, 5.713448E-21, 3.110138E-21, \n & 8.269172E-22, 2.119337E-23, 0.000000E+00 /\n DATA ( ECS_REF( IHNO4_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 2.685089E-20, 1.173542E-20, 5.713448E-21, 3.110138E-21, \n & 8.269172E-22, 2.119337E-23, 0.000000E+00 /\n DATA ( ECS_REF( IHNO4_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 2.685089E-20, 1.173542E-20, 5.713448E-21, 3.110138E-21, \n & 8.269172E-22, 2.119337E-23, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IHNO4_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999983E-01, 0.000000E+00 /\n DATA ( EQY_REF( IHNO4_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999983E-01, 0.000000E+00 /\n DATA ( EQY_REF( IHNO4_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999983E-01, 0.000000E+00 /\n\n\nC...H2O2\nC.. H2O2 + HV = 2 OH\nC.. IUPAC (1997) Recommended.\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IH2O2 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IH2O2, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.353266E-21, 5.771016E-21, 3.923017E-21, 2.721918E-21, \n & 1.138123E-21, 3.606306E-23, 0.000000E+00 /\n DATA ( CS_REF( IH2O2, 2, IWLR ), IWLR = 1, 7 ) /\n & 9.353266E-21, 5.771016E-21, 3.923017E-21, 2.721918E-21, \n & 1.138123E-21, 3.606306E-23, 0.000000E+00 /\n DATA ( CS_REF( IH2O2, 3, IWLR ), IWLR = 1, 7 ) /\n & 9.353266E-21, 5.771016E-21, 3.923017E-21, 2.721918E-21, \n & 1.138123E-21, 3.606306E-23, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IH2O2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.142428E-01, 0.000000E+00 /\n DATA ( QY_REF( IH2O2, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.142428E-01, 0.000000E+00 /\n DATA ( QY_REF( IH2O2, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.142428E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IH2O2, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.353266E-21, 5.771016E-21, 3.923017E-21, 2.721918E-21, \n & 1.138123E-21, 3.606289E-23, 0.000000E+00 /\n DATA ( ECS_REF( IH2O2, 2, IWLR ), IWLR = 1, 7 ) /\n & 9.353266E-21, 5.771016E-21, 3.923017E-21, 2.721918E-21, \n & 1.138123E-21, 3.606289E-23, 0.000000E+00 /\n DATA ( ECS_REF( IH2O2, 3, IWLR ), IWLR = 1, 7 ) /\n & 9.353266E-21, 5.771016E-21, 3.923017E-21, 2.721918E-21, \n & 1.138123E-21, 3.606289E-23, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IH2O2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999954E-01, 0.000000E+00 /\n DATA ( EQY_REF( IH2O2, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999954E-01, 0.000000E+00 /\n DATA ( EQY_REF( IH2O2, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999954E-01, 0.000000E+00 /\n\n\nC...NO2EX\nC.. NO2 + HV = NO2*\nC.. From NASA (2006), for 294 K.\nC.. Absorption cross sections are averages for wavelength intervals given.\nC.. Data alligned to smallest wavelength intervals for abs. coefs and qy's.\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, INO2EX ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( INO2EX, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.075248E-19, 1.484195E-19, 1.882053E-19, 2.274755E-19, \n & 3.449308E-19, 5.754674E-19, 1.067281E-19 /\n DATA ( CS_REF( INO2EX, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.075248E-19, 1.484195E-19, 1.882053E-19, 2.274755E-19, \n & 3.449308E-19, 5.754674E-19, 1.067281E-19 /\n DATA ( CS_REF( INO2EX, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.075248E-19, 1.484195E-19, 1.882053E-19, 2.274755E-19, \n & 3.449308E-19, 5.754674E-19, 1.067281E-19 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( INO2EX, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 1.825233E-01, 5.823866E-01 /\n DATA ( QY_REF( INO2EX, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 1.825233E-01, 5.823866E-01 /\n DATA ( QY_REF( INO2EX, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 1.825233E-01, 5.823866E-01 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( INO2EX, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 1.110291E-19, 1.062805E-19 /\n DATA ( ECS_REF( INO2EX, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 1.110291E-19, 1.062805E-19 /\n DATA ( ECS_REF( INO2EX, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 1.110291E-19, 1.062805E-19 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( INO2EX, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 1.929373E-01, 9.958061E-01 /\n DATA ( EQY_REF( INO2EX, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 1.929373E-01, 9.958061E-01 /\n DATA ( EQY_REF( INO2EX, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 1.929373E-01, 9.958061E-01 /\n\n\nC...PAN\nC.. PAN + HV = #.6 {MECO3 + NO2} + #.4 {MEO2 + CO2 + NO3}\nC.. IUPAC Data Sheet P21.updated: 12/19/05\nC.. Reaction reflects recommended quantum yields at 308 nm\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IPAN ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IPAN, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.530296E-21, 1.417990E-21, 6.732224E-22, 3.640893E-22, \n & 9.143990E-23, 1.597520E-24, 0.000000E+00 /\n DATA ( CS_REF( IPAN, 2, IWLR ), IWLR = 1, 7 ) /\n & 3.530296E-21, 1.417990E-21, 6.732224E-22, 3.640893E-22, \n & 9.143990E-23, 1.597520E-24, 0.000000E+00 /\n DATA ( CS_REF( IPAN, 3, IWLR ), IWLR = 1, 7 ) /\n & 3.530296E-21, 1.417990E-21, 6.732224E-22, 3.640893E-22, \n & 9.143990E-23, 1.597520E-24, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IPAN, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.009612E-01, 0.000000E+00 /\n DATA ( QY_REF( IPAN, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.009612E-01, 0.000000E+00 /\n DATA ( QY_REF( IPAN, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.009612E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IPAN, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.530296E-21, 1.417990E-21, 6.732224E-22, 3.640893E-22, \n & 9.143990E-23, 1.597511E-24, 0.000000E+00 /\n DATA ( ECS_REF( IPAN, 2, IWLR ), IWLR = 1, 7 ) /\n & 3.530296E-21, 1.417990E-21, 6.732224E-22, 3.640893E-22, \n & 9.143990E-23, 1.597511E-24, 0.000000E+00 /\n DATA ( ECS_REF( IPAN, 3, IWLR ), IWLR = 1, 7 ) /\n & 3.530296E-21, 1.417990E-21, 6.732224E-22, 3.640893E-22, \n & 9.143990E-23, 1.597511E-24, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IPAN, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999946E-01, 0.000000E+00 /\n DATA ( EQY_REF( IPAN, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999946E-01, 0.000000E+00 /\n DATA ( EQY_REF( IPAN, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999946E-01, 0.000000E+00 /\n\n\nC...HCHOR-06\nC.. HCHO + HV = HCO. + H.\nC.. IUPAC Subcommittee on Gas Kinetic Data Evaluation Data Sheet P1\nC.. This datasheet updated: 16th May 2002.\nC.. Website: http://www.iupac-kinetic.ch.cam.ac.uk/.\nC.. IUPAC recommendations used for both absorption cross sections and quantum yield\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IHCHOR_06 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IHCHOR_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.170115E-20, 3.298361E-20, 1.534595E-20, 3.259295E-20, \n & 1.516365E-20, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IHCHOR_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 3.170115E-20, 3.298361E-20, 1.534595E-20, 3.259295E-20, \n & 1.516365E-20, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IHCHOR_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 3.170115E-20, 3.298361E-20, 1.534595E-20, 3.259295E-20, \n & 1.516365E-20, 0.000000E+00, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IHCHOR_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 6.851836E-01, 7.182512E-01, 7.159075E-01, 6.839373E-01, \n & 2.830292E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IHCHOR_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 6.851836E-01, 7.182512E-01, 7.159075E-01, 6.839373E-01, \n & 2.830292E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IHCHOR_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 6.851836E-01, 7.182512E-01, 7.159075E-01, 6.839373E-01, \n & 2.830292E-01, 0.000000E+00, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IHCHOR_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.165864E-20, 2.395194E-20, 1.104754E-20, 2.236421E-20, \n & 5.554628E-21, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IHCHOR_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 2.165864E-20, 2.395194E-20, 1.104754E-20, 2.236421E-20, \n & 5.554628E-21, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IHCHOR_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 2.165864E-20, 2.395194E-20, 1.104754E-20, 2.236421E-20, \n & 5.554628E-21, 0.000000E+00, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IHCHOR_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 6.832129E-01, 7.261769E-01, 7.198996E-01, 6.861672E-01, \n & 3.663122E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IHCHOR_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 6.832129E-01, 7.261769E-01, 7.198996E-01, 6.861672E-01, \n & 3.663122E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IHCHOR_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 6.832129E-01, 7.261769E-01, 7.198996E-01, 6.861672E-01, \n & 3.663122E-01, 0.000000E+00, 0.000000E+00 /\n\n\nC...HCHOM-06\nC.. HCHO + HV = H2 + CO\nC.. IUPAC Subcommittee on Gas Kinetic Data Evaluation Data Sheet P1\nC.. This datasheet updated: 16th May 2002.\nC.. Website: http://www.iupac-kinetic.ch.cam.ac.uk/.\nC.. IUPAC recommendations used for both absorption cross sections and quantum yield\nC.. Quantum yields for wl < 0.360 interpolated.\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IHCHOM_06 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IHCHOM_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.170115E-20, 3.298361E-20, 1.534595E-20, 3.259295E-20, \n & 1.806860E-20, 7.417042E-22, 0.000000E+00 /\n DATA ( CS_REF( IHCHOM_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 3.170115E-20, 3.298361E-20, 1.534595E-20, 3.259295E-20, \n & 1.806860E-20, 7.417042E-22, 0.000000E+00 /\n DATA ( CS_REF( IHCHOM_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 3.170115E-20, 3.298361E-20, 1.534595E-20, 3.259295E-20, \n & 1.806860E-20, 7.417042E-22, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IHCHOM_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.954926E-01, 2.804151E-01, 2.842610E-01, 3.165711E-01, \n & 4.879651E-01, 3.037100E-02, 0.000000E+00 /\n DATA ( QY_REF( IHCHOM_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 2.954926E-01, 2.804151E-01, 2.842610E-01, 3.165711E-01, \n & 4.879651E-01, 3.037100E-02, 0.000000E+00 /\n DATA ( QY_REF( IHCHOM_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 2.954926E-01, 2.804151E-01, 2.842610E-01, 3.165711E-01, \n & 4.879651E-01, 3.037100E-02, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IHCHOM_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.456341E-21, 8.996975E-21, 4.301307E-21, 1.024271E-20, \n & 8.938935E-21, 1.182654E-22, 0.000000E+00 /\n DATA ( ECS_REF( IHCHOM_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 9.456341E-21, 8.996975E-21, 4.301307E-21, 1.024271E-20, \n & 8.938935E-21, 1.182654E-22, 0.000000E+00 /\n DATA ( ECS_REF( IHCHOM_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 9.456341E-21, 8.996975E-21, 4.301307E-21, 1.024271E-20, \n & 8.938935E-21, 1.182654E-22, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IHCHOM_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.982965E-01, 2.727711E-01, 2.802895E-01, 3.142615E-01, \n & 4.947222E-01, 1.594508E-01, 0.000000E+00 /\n DATA ( EQY_REF( IHCHOM_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 2.982965E-01, 2.727711E-01, 2.802895E-01, 3.142615E-01, \n & 4.947222E-01, 1.594508E-01, 0.000000E+00 /\n DATA ( EQY_REF( IHCHOM_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 2.982965E-01, 2.727711E-01, 2.802895E-01, 3.142615E-01, \n & 4.947222E-01, 1.594508E-01, 0.000000E+00 /\n\n\nC...CCHO_R\nC.. CCHO + HV = CH3 + CHO\nC.. IUPAC (1997)\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, ICCHO_R ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( ICCHO_R, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.432586E-20, 3.717937E-20, 2.933103E-20, 2.104728E-20, \n & 3.715596E-21, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( ICCHO_R, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.432586E-20, 3.717937E-20, 2.933103E-20, 2.104728E-20, \n & 3.715596E-21, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( ICCHO_R, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.432586E-20, 3.717937E-20, 2.933103E-20, 2.104728E-20, \n & 3.715596E-21, 0.000000E+00, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( ICCHO_R, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.839485E-01, 3.902037E-01, 2.845214E-01, 1.538485E-01, \n & 1.409402E-02, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( ICCHO_R, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.839485E-01, 3.902037E-01, 2.845214E-01, 1.538485E-01, \n & 1.409402E-02, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( ICCHO_R, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.839485E-01, 3.902037E-01, 2.845214E-01, 1.538485E-01, \n & 1.409402E-02, 0.000000E+00, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( ICCHO_R, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.147745E-20, 1.461038E-20, 8.426962E-21, 3.330092E-21, \n & 1.731218E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( ICCHO_R, 2, IWLR ), IWLR = 1, 7 ) /\n & 2.147745E-20, 1.461038E-20, 8.426962E-21, 3.330092E-21, \n & 1.731218E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( ICCHO_R, 3, IWLR ), IWLR = 1, 7 ) /\n & 2.147745E-20, 1.461038E-20, 8.426962E-21, 3.330092E-21, \n & 1.731218E-22, 0.000000E+00, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( ICCHO_R, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.845355E-01, 3.929700E-01, 2.873054E-01, 1.582196E-01, \n & 4.659327E-02, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( ICCHO_R, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.845355E-01, 3.929700E-01, 2.873054E-01, 1.582196E-01, \n & 4.659327E-02, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( ICCHO_R, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.845355E-01, 3.929700E-01, 2.873054E-01, 1.582196E-01, \n & 4.659327E-02, 0.000000E+00, 0.000000E+00 /\n\n\nC...C2CHO\nC.. C2CHO + HV = C2H5. + CHO.\nC.. IUPAC (1997)\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IC2CHO ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IC2CHO, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.113497E-20, 4.634689E-20, 3.579653E-20, 2.441742E-20, \n & 5.808827E-21, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IC2CHO, 2, IWLR ), IWLR = 1, 7 ) /\n & 3.113497E-20, 4.634689E-20, 3.579653E-20, 2.441742E-20, \n & 5.808827E-21, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IC2CHO, 3, IWLR ), IWLR = 1, 7 ) /\n & 3.113497E-20, 4.634689E-20, 3.579653E-20, 2.441742E-20, \n & 5.808827E-21, 0.000000E+00, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IC2CHO, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.112442E-01, 7.954021E-01, 5.951666E-01, 4.312297E-01, \n & 1.520064E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IC2CHO, 2, IWLR ), IWLR = 1, 7 ) /\n & 5.112442E-01, 7.954021E-01, 5.951666E-01, 4.312297E-01, \n & 1.520064E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IC2CHO, 3, IWLR ), IWLR = 1, 7 ) /\n & 5.112442E-01, 7.954021E-01, 5.951666E-01, 4.312297E-01, \n & 1.520064E-01, 0.000000E+00, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IC2CHO, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.730256E-20, 3.713801E-20, 2.133677E-20, 1.077360E-20, \n & 1.383933E-21, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IC2CHO, 2, IWLR ), IWLR = 1, 7 ) /\n & 2.730256E-20, 3.713801E-20, 2.133677E-20, 1.077360E-20, \n & 1.383933E-21, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IC2CHO, 3, IWLR ), IWLR = 1, 7 ) /\n & 2.730256E-20, 3.713801E-20, 2.133677E-20, 1.077360E-20, \n & 1.383933E-21, 0.000000E+00, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IC2CHO, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.769099E-01, 8.013052E-01, 5.960570E-01, 4.412259E-01, \n & 2.382466E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IC2CHO, 2, IWLR ), IWLR = 1, 7 ) /\n & 8.769099E-01, 8.013052E-01, 5.960570E-01, 4.412259E-01, \n & 2.382466E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IC2CHO, 3, IWLR ), IWLR = 1, 7 ) /\n & 8.769099E-01, 8.013052E-01, 5.960570E-01, 4.412259E-01, \n & 2.382466E-01, 0.000000E+00, 0.000000E+00 /\n\n\nC...ACET-06\nC.. CH3-CO-CH3 + HV = Radical products\nC.. IUPAC Subcommittee on Gas Kinetic Data Evaluation Data Sheet P7\nC.. This datasheet updated: 19th December 2005.\nC.. Website: http://www.iupac-kinetic.ch.cam.ac.uk/.\nC.. IUPAC recommendations used for both absorption cross sections and quantum yield\nC.. Cross sections and quantum yields are for 298K only.\nC.. Uncertain whether the cross sections are calculated correctly from the complex\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IACET_06 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IACET_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.464058E-20, 2.276631E-20, 1.367786E-20, 7.373137E-21, \n & 8.850609E-22, 8.179470E-25, 0.000000E+00 /\n DATA ( CS_REF( IACET_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 3.464058E-20, 2.276631E-20, 1.367786E-20, 7.373137E-21, \n & 8.850609E-22, 8.179470E-25, 0.000000E+00 /\n DATA ( CS_REF( IACET_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 3.464058E-20, 2.276631E-20, 1.367786E-20, 7.373137E-21, \n & 8.850609E-22, 8.179470E-25, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IACET_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.457704E-01, 2.094483E-01, 8.573251E-02, 3.882141E-02, \n & 9.387424E-03, 1.342100E-04, 0.000000E+00 /\n DATA ( QY_REF( IACET_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 3.457704E-01, 2.094483E-01, 8.573251E-02, 3.882141E-02, \n & 9.387424E-03, 1.342100E-04, 0.000000E+00 /\n DATA ( QY_REF( IACET_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 3.457704E-01, 2.094483E-01, 8.573251E-02, 3.882141E-02, \n & 9.387424E-03, 1.342100E-04, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IACET_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.207275E-20, 4.950919E-21, 1.203532E-21, 3.067005E-22, \n & 1.419284E-23, 2.303166E-27, 0.000000E+00 /\n DATA ( ECS_REF( IACET_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.207275E-20, 4.950919E-21, 1.203532E-21, 3.067005E-22, \n & 1.419284E-23, 2.303166E-27, 0.000000E+00 /\n DATA ( ECS_REF( IACET_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.207275E-20, 4.950919E-21, 1.203532E-21, 3.067005E-22, \n & 1.419284E-23, 2.303166E-27, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IACET_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.485148E-01, 2.174669E-01, 8.799125E-02, 4.159702E-02, \n & 1.603601E-02, 2.815788E-03, 0.000000E+00 /\n DATA ( EQY_REF( IACET_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 3.485148E-01, 2.174669E-01, 8.799125E-02, 4.159702E-02, \n & 1.603601E-02, 2.815788E-03, 0.000000E+00 /\n DATA ( EQY_REF( IACET_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 3.485148E-01, 2.174669E-01, 8.799125E-02, 4.159702E-02, \n & 1.603601E-02, 2.815788E-03, 0.000000E+00 /\n\n\nC...MEK-06\nC.. MEK absorption cross sections\nC.. IUPAC Subcommittee on Gas Kinetic Data Evaluation Data Sheet P8\nC.. This datasheet updated: 5th December 2005.\nC.. Website: http://www.iupac-kinetic.ch.cam.ac.uk/.\nC.. Note that recommended quantum yield is 0.34 and SAPRC07T sets\nC.. value to 0.175 in mechanism definition file\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IMEK_06 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IMEK_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.166522E-20, 2.686872E-20, 1.573254E-20, 7.723365E-21, \n & 8.066992E-22, 1.609984E-25, 0.000000E+00 /\n DATA ( CS_REF( IMEK_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.166522E-20, 2.686872E-20, 1.573254E-20, 7.723365E-21, \n & 8.066992E-22, 1.609984E-25, 0.000000E+00 /\n DATA ( CS_REF( IMEK_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.166522E-20, 2.686872E-20, 1.573254E-20, 7.723365E-21, \n & 8.066992E-22, 1.609984E-25, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IMEK_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 2.161979E-02, 0.000000E+00 /\n DATA ( QY_REF( IMEK_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 2.161979E-02, 0.000000E+00 /\n DATA ( QY_REF( IMEK_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 2.161979E-02, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IMEK_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.166522E-20, 2.686872E-20, 1.573254E-20, 7.723365E-21, \n & 8.066992E-22, 1.609804E-25, 0.000000E+00 /\n DATA ( ECS_REF( IMEK_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.166522E-20, 2.686872E-20, 1.573254E-20, 7.723365E-21, \n & 8.066992E-22, 1.609804E-25, 0.000000E+00 /\n DATA ( ECS_REF( IMEK_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.166522E-20, 2.686872E-20, 1.573254E-20, 7.723365E-21, \n & 8.066992E-22, 1.609804E-25, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IMEK_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.998884E-01, 0.000000E+00 /\n DATA ( EQY_REF( IMEK_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.998884E-01, 0.000000E+00 /\n DATA ( EQY_REF( IMEK_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.998884E-01, 0.000000E+00 /\n\n\nC...COOH\nC.. CH3OOH + HV = PRODUCTS\nC.. IUPAC (1997). Also recommend unit quantum yields.\nC.. wl abs qy\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, ICOOH ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( ICOOH, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.623467E-21, 3.524633E-21, 2.410330E-21, 1.699588E-21, \n & 7.230005E-22, 5.395097E-23, 0.000000E+00 /\n DATA ( CS_REF( ICOOH, 2, IWLR ), IWLR = 1, 7 ) /\n & 5.623467E-21, 3.524633E-21, 2.410330E-21, 1.699588E-21, \n & 7.230005E-22, 5.395097E-23, 0.000000E+00 /\n DATA ( CS_REF( ICOOH, 3, IWLR ), IWLR = 1, 7 ) /\n & 5.623467E-21, 3.524633E-21, 2.410330E-21, 1.699588E-21, \n & 7.230005E-22, 5.395097E-23, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( ICOOH, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 3.016710E-01, 0.000000E+00 /\n DATA ( QY_REF( ICOOH, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 3.016710E-01, 0.000000E+00 /\n DATA ( QY_REF( ICOOH, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 3.016710E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( ICOOH, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.623467E-21, 3.524633E-21, 2.410330E-21, 1.699588E-21, \n & 7.230005E-22, 5.395090E-23, 0.000000E+00 /\n DATA ( ECS_REF( ICOOH, 2, IWLR ), IWLR = 1, 7 ) /\n & 5.623467E-21, 3.524633E-21, 2.410330E-21, 1.699588E-21, \n & 7.230005E-22, 5.395090E-23, 0.000000E+00 /\n DATA ( ECS_REF( ICOOH, 3, IWLR ), IWLR = 1, 7 ) /\n & 5.623467E-21, 3.524633E-21, 2.410330E-21, 1.699588E-21, \n & 7.230005E-22, 5.395090E-23, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( ICOOH, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999989E-01, 0.000000E+00 /\n DATA ( EQY_REF( ICOOH, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999989E-01, 0.000000E+00 /\n DATA ( EQY_REF( ICOOH, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999989E-01, 0.000000E+00 /\n\n\nC...GLY-07R\nC.. HCOCHO + HV = HCO. + HCO.\nC.. Absorption cross sections from Volkamer, R., P. Spietz, J. Burrows, and\nC.. U. Platt (2005): \"High-resolution absorption cross sections of glyoxal\nC.. in the UV-vis and IR spectral ranges,\" J. Photochem. Photobiol. A, 172\nC.. 35-46. Quantum yields at wavelengths below 350 nm based on the data of\nC.. Zhu et al (1996) which are consistent with the data of Langford and\nC.. Moore (1984). Quantum yields at higher wavelengths assumed to decline\nC.. expodentially with wavelength at a rate that gives a photolysis rate\nC.. relative to NO2 consistent with the data of Klotz et al (2000).\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IGLY_07R ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IGLY_07R, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.792117E-20, 3.572108E-20, 3.194423E-20, 2.574261E-20, \n & 1.106789E-20, 2.757124E-20, 1.054196E-20 /\n DATA ( CS_REF( IGLY_07R, 2, IWLR ), IWLR = 1, 7 ) /\n & 3.792117E-20, 3.572108E-20, 3.194423E-20, 2.574261E-20, \n & 1.106789E-20, 2.757124E-20, 1.054196E-20 /\n DATA ( CS_REF( IGLY_07R, 3, IWLR ), IWLR = 1, 7 ) /\n & 3.792117E-20, 3.572108E-20, 3.194423E-20, 2.574261E-20, \n & 1.106789E-20, 2.757124E-20, 1.054196E-20 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IGLY_07R, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.321564E-01, 3.435688E-01, 3.690092E-01, 4.286592E-01, \n & 5.846431E-01, 2.414760E-01, 1.331258E-03 /\n DATA ( QY_REF( IGLY_07R, 2, IWLR ), IWLR = 1, 7 ) /\n & 3.321564E-01, 3.435688E-01, 3.690092E-01, 4.286592E-01, \n & 5.846431E-01, 2.414760E-01, 1.331258E-03 /\n DATA ( QY_REF( IGLY_07R, 3, IWLR ), IWLR = 1, 7 ) /\n & 3.321564E-01, 3.435688E-01, 3.690092E-01, 4.286592E-01, \n & 5.846431E-01, 2.414760E-01, 1.331258E-03 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IGLY_07R, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.259928E-20, 1.226096E-20, 1.179645E-20, 1.092393E-20, \n & 6.158653E-21, 3.111813E-21, 1.360347E-22 /\n DATA ( ECS_REF( IGLY_07R, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.259928E-20, 1.226096E-20, 1.179645E-20, 1.092393E-20, \n & 6.158653E-21, 3.111813E-21, 1.360347E-22 /\n DATA ( ECS_REF( IGLY_07R, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.259928E-20, 1.226096E-20, 1.179645E-20, 1.092393E-20, \n & 6.158653E-21, 3.111813E-21, 1.360347E-22 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IGLY_07R, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.322493E-01, 3.432416E-01, 3.692827E-01, 4.243520E-01, \n & 5.564435E-01, 1.128644E-01, 1.290412E-02 /\n DATA ( EQY_REF( IGLY_07R, 2, IWLR ), IWLR = 1, 7 ) /\n & 3.322493E-01, 3.432416E-01, 3.692827E-01, 4.243520E-01, \n & 5.564435E-01, 1.128644E-01, 1.290412E-02 /\n DATA ( EQY_REF( IGLY_07R, 3, IWLR ), IWLR = 1, 7 ) /\n & 3.322493E-01, 3.432416E-01, 3.692827E-01, 4.243520E-01, \n & 5.564435E-01, 1.128644E-01, 1.290412E-02 /\n\n\nC...GLY-07M\nC.. HCOCHO + HV = HCHO + H2\nC.. Absorption cross sections from Volkamer, R., P. Spietz, J. Burrows,\nC.. and U. Platt (2005): \"High-resolution absorption cross sections of\nC.. glyoxal in the UV-vis and IR spectral ranges,\" J. Photochem. Photobiol.\nC.. A, 172 35-46. Quantum yields at wavelengths below 350 nm derived from\nC.. those used for the radical forming process assuming total quantum\nC.. yields of 1. Quantum yields at higher wavelengths assumed to decline\nC.. expodentially at a rate that gives a 13% formaldehyde yield telative to\nC.. photodecomposition under the conditions of Plum et al (1983).\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IGLY_07M ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IGLY_07M, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.792117E-20, 3.572108E-20, 3.194423E-20, 2.574261E-20, \n & 1.106789E-20, 2.757124E-20, 3.572554E-21 /\n DATA ( CS_REF( IGLY_07M, 2, IWLR ), IWLR = 1, 7 ) /\n & 3.792117E-20, 3.572108E-20, 3.194423E-20, 2.574261E-20, \n & 1.106789E-20, 2.757124E-20, 3.572554E-21 /\n DATA ( CS_REF( IGLY_07M, 3, IWLR ), IWLR = 1, 7 ) /\n & 3.792117E-20, 3.572108E-20, 3.194423E-20, 2.574261E-20, \n & 1.106789E-20, 2.757124E-20, 3.572554E-21 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IGLY_07M, 1, IWLR ), IWLR = 1, 7 ) /\n & 6.678436E-01, 6.564312E-01, 6.310096E-01, 5.714539E-01, \n & 4.154251E-01, 6.007637E-02, 5.018706E-05 /\n DATA ( QY_REF( IGLY_07M, 2, IWLR ), IWLR = 1, 7 ) /\n & 6.678436E-01, 6.564312E-01, 6.310096E-01, 5.714539E-01, \n & 4.154251E-01, 6.007637E-02, 5.018706E-05 /\n DATA ( QY_REF( IGLY_07M, 3, IWLR ), IWLR = 1, 7 ) /\n & 6.678436E-01, 6.564312E-01, 6.310096E-01, 5.714539E-01, \n & 4.154251E-01, 6.007637E-02, 5.018706E-05 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IGLY_07M, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.532189E-20, 2.346012E-20, 2.014841E-20, 1.482248E-20, \n & 4.909979E-21, 5.296770E-22, 4.592936E-24 /\n DATA ( ECS_REF( IGLY_07M, 2, IWLR ), IWLR = 1, 7 ) /\n & 2.532189E-20, 2.346012E-20, 2.014841E-20, 1.482248E-20, \n & 4.909979E-21, 5.296770E-22, 4.592936E-24 /\n DATA ( ECS_REF( IGLY_07M, 3, IWLR ), IWLR = 1, 7 ) /\n & 2.532189E-20, 2.346012E-20, 2.014841E-20, 1.482248E-20, \n & 4.909979E-21, 5.296770E-22, 4.592936E-24 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IGLY_07M, 1, IWLR ), IWLR = 1, 7 ) /\n & 6.677508E-01, 6.567584E-01, 6.307371E-01, 5.757954E-01, \n & 4.436239E-01, 1.921121E-02, 1.285617E-03 /\n DATA ( EQY_REF( IGLY_07M, 2, IWLR ), IWLR = 1, 7 ) /\n & 6.677508E-01, 6.567584E-01, 6.307371E-01, 5.757954E-01, \n & 4.436239E-01, 1.921121E-02, 1.285617E-03 /\n DATA ( EQY_REF( IGLY_07M, 3, IWLR ), IWLR = 1, 7 ) /\n & 6.677508E-01, 6.567584E-01, 6.307371E-01, 5.757954E-01, \n & 4.436239E-01, 1.921121E-02, 1.285617E-03 /\n\n\nC...MGLY-06\nC.. CH3COCHO + HV = CH3CO. + HCO.\nC.. IUPAC Subcommittee on Gas Kinetic Data Evaluation Data Sheet P6\nC.. This datasheet updated: 16th January 2003.\nC.. Website: http://www.iupac-kinetic.ch.cam.ac.uk/.\nC.. Quantum yield calculated from the expression given for 472 torr N2.\nC.. This \"pressure\" adjustment was made so the calculated photlysis rates\nC.. for solar conditions would agree with the data of Klotz et al (2000)\nC.. for the Euphore outdoor chamber.\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IMGLY_06 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IMGLY_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.380391E-20, 3.467071E-20, 2.430916E-20, 1.788232E-20, \n & 6.183676E-21, 3.700269E-20, 7.910760E-21 /\n DATA ( CS_REF( IMGLY_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.380391E-20, 3.467071E-20, 2.430916E-20, 1.788232E-20, \n & 6.183676E-21, 3.700269E-20, 7.910760E-21 /\n DATA ( CS_REF( IMGLY_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.380391E-20, 3.467071E-20, 2.430916E-20, 1.788232E-20, \n & 6.183676E-21, 3.700269E-20, 7.910760E-21 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IMGLY_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.565113E-01, 9.283988E-01, 8.962741E-01, 8.564202E-01, \n & 7.065107E-01, 2.411670E-01, 3.970909E-03 /\n DATA ( QY_REF( IMGLY_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 9.565113E-01, 9.283988E-01, 8.962741E-01, 8.564202E-01, \n & 7.065107E-01, 2.411670E-01, 3.970909E-03 /\n DATA ( QY_REF( IMGLY_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 9.565113E-01, 9.283988E-01, 8.962741E-01, 8.564202E-01, \n & 7.065107E-01, 2.411670E-01, 3.970909E-03 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IMGLY_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.191153E-20, 3.221663E-20, 2.180534E-20, 1.534382E-20, \n & 4.571303E-21, 5.327231E-21, 3.199066E-22 /\n DATA ( ECS_REF( IMGLY_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.191153E-20, 3.221663E-20, 2.180534E-20, 1.534382E-20, \n & 4.571303E-21, 5.327231E-21, 3.199066E-22 /\n DATA ( ECS_REF( IMGLY_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.191153E-20, 3.221663E-20, 2.180534E-20, 1.534382E-20, \n & 4.571303E-21, 5.327231E-21, 3.199066E-22 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IMGLY_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.567987E-01, 9.292175E-01, 8.970010E-01, 8.580443E-01, \n & 7.392533E-01, 1.439687E-01, 4.043944E-02 /\n DATA ( EQY_REF( IMGLY_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 9.567987E-01, 9.292175E-01, 8.970010E-01, 8.580443E-01, \n & 7.392533E-01, 1.439687E-01, 4.043944E-02 /\n DATA ( EQY_REF( IMGLY_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 9.567987E-01, 9.292175E-01, 8.970010E-01, 8.580443E-01, \n & 7.392533E-01, 1.439687E-01, 4.043944E-02 /\n\n\nC...BACL-07\nC.. CH3COCOCH3 + HV = 2 CH3CO.\nC.. Absorption cross sections from Plum et al (1983) as used in SAPRC-99\nC.. mechanism. Quantum yields calculated using the IUPAC (2005)-recommended\nC.. expression for the pressure and wavelength-dependence quantum yields for\nC.. methyl glyoxal, but with the effective presssure adjusted so the\nC.. photolysis rate, relative to that for NO2, under ambient conditions is\nC.. consistent with that measured by Klotz et al (2000) in the Euphore outdoor\nC.. chamber.\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IBACL_07 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IBACL_07, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.658386E-20, 1.613232E-20, 9.254814E-21, 6.071191E-21, \n & 4.661714E-21, 3.201369E-20, 4.709775E-21 /\n DATA ( CS_REF( IBACL_07, 2, IWLR ), IWLR = 1, 7 ) /\n & 2.658386E-20, 1.613232E-20, 9.254814E-21, 6.071191E-21, \n & 4.661714E-21, 3.201369E-20, 4.709775E-21 /\n DATA ( CS_REF( IBACL_07, 3, IWLR ), IWLR = 1, 7 ) /\n & 2.658386E-20, 1.613232E-20, 9.254814E-21, 6.071191E-21, \n & 4.661714E-21, 3.201369E-20, 4.709775E-21 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IBACL_07, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.894450E-01, 9.817067E-01, 9.728644E-01, 9.609106E-01, \n & 9.065533E-01, 4.913754E-01, 9.660118E-03 /\n DATA ( QY_REF( IBACL_07, 2, IWLR ), IWLR = 1, 7 ) /\n & 9.894450E-01, 9.817067E-01, 9.728644E-01, 9.609106E-01, \n & 9.065533E-01, 4.913754E-01, 9.660118E-03 /\n DATA ( QY_REF( IBACL_07, 3, IWLR ), IWLR = 1, 7 ) /\n & 9.894450E-01, 9.817067E-01, 9.728644E-01, 9.609106E-01, \n & 9.065533E-01, 4.913754E-01, 9.660118E-03 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IBACL_07, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.630803E-20, 1.584373E-20, 9.006348E-21, 5.836824E-21, \n & 4.210301E-21, 1.187160E-20, 4.906409E-22 /\n DATA ( ECS_REF( IBACL_07, 2, IWLR ), IWLR = 1, 7 ) /\n & 2.630803E-20, 1.584373E-20, 9.006348E-21, 5.836824E-21, \n & 4.210301E-21, 1.187160E-20, 4.906409E-22 /\n DATA ( ECS_REF( IBACL_07, 3, IWLR ), IWLR = 1, 7 ) /\n & 2.630803E-20, 1.584373E-20, 9.006348E-21, 5.836824E-21, \n & 4.210301E-21, 1.187160E-20, 4.906409E-22 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IBACL_07, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.896241E-01, 9.821110E-01, 9.731528E-01, 9.613968E-01, \n & 9.031659E-01, 3.708287E-01, 1.041750E-01 /\n DATA ( EQY_REF( IBACL_07, 2, IWLR ), IWLR = 1, 7 ) /\n & 9.896241E-01, 9.821110E-01, 9.731528E-01, 9.613968E-01, \n & 9.031659E-01, 3.708287E-01, 1.041750E-01 /\n DATA ( EQY_REF( IBACL_07, 3, IWLR ), IWLR = 1, 7 ) /\n & 9.896241E-01, 9.821110E-01, 9.731528E-01, 9.613968E-01, \n & 9.031659E-01, 3.708287E-01, 1.041750E-01 /\n\n\nC...BALD-06\nC.. Benzaldehyde absorption cross sections recommended by Calvert et al (2002)\nC.. From Lang (1961-1971) in hexane solution\nC..\nC.. Note that recommended quantum ranges from 0,14 to 0,4 and SAPRC07T sets\nC.. value to 0.060 in mechanism definition file\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IBALD_06 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IBALD_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.451981E-19, 7.297634E-20, 7.090561E-20, 8.592461E-20, \n & 9.197932E-20, 1.679405E-20, 0.000000E+00 /\n DATA ( CS_REF( IBALD_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.451981E-19, 7.297634E-20, 7.090561E-20, 8.592461E-20, \n & 9.197932E-20, 1.679405E-20, 0.000000E+00 /\n DATA ( CS_REF( IBALD_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.451981E-19, 7.297634E-20, 7.090561E-20, 8.592461E-20, \n & 9.197932E-20, 1.679405E-20, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IBALD_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 4.275655E-01, 0.000000E+00 /\n DATA ( QY_REF( IBALD_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 4.275655E-01, 0.000000E+00 /\n DATA ( QY_REF( IBALD_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 4.275655E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IBALD_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.451981E-19, 7.297634E-20, 7.090561E-20, 8.592461E-20, \n & 9.197932E-20, 1.679404E-20, 0.000000E+00 /\n DATA ( ECS_REF( IBALD_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.451981E-19, 7.297634E-20, 7.090561E-20, 8.592461E-20, \n & 9.197932E-20, 1.679404E-20, 0.000000E+00 /\n DATA ( ECS_REF( IBALD_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.451981E-19, 7.297634E-20, 7.090561E-20, 8.592461E-20, \n & 9.197932E-20, 1.679404E-20, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IBALD_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999996E-01, 0.000000E+00 /\n DATA ( EQY_REF( IBALD_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999996E-01, 0.000000E+00 /\n DATA ( EQY_REF( IBALD_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999996E-01, 0.000000E+00 /\n\n\nC...AFG1\nC.. Photolysis of lumped photoreactive aromatic unsaturated dicarbonyl product.\nC.. Based on 31.6% BUTEDIAL and 68.4% 4OX2PEAL with QY(BUTEDIAL) = 0.723 and\nC.. QY(4OX2PEAL) = 1.000\nC.. From h:\\mech\\saprc06\\phf.xls, \"AFG1\" sheet and based on\nC.. h:\\mech\\saprc06\\aroprods.xls\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IAFG1 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IAFG1, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.731773E-18, 1.412652E-18, 1.107261E-18, 8.915003E-19, \n & 5.026284E-19, 1.273166E-19, 1.232364E-21 /\n DATA ( CS_REF( IAFG1, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.731773E-18, 1.412652E-18, 1.107261E-18, 8.915003E-19, \n & 5.026284E-19, 1.273166E-19, 1.232364E-21 /\n DATA ( CS_REF( IAFG1, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.731773E-18, 1.412652E-18, 1.107261E-18, 8.915003E-19, \n & 5.026284E-19, 1.273166E-19, 1.232364E-21 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IAFG1, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.135570E-01 /\n DATA ( QY_REF( IAFG1, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.135570E-01 /\n DATA ( QY_REF( IAFG1, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.135570E-01 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IAFG1, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.731773E-18, 1.412652E-18, 1.107261E-18, 8.915003E-19, \n & 5.026284E-19, 1.273166E-19, 1.232364E-21 /\n DATA ( ECS_REF( IAFG1, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.731773E-18, 1.412652E-18, 1.107261E-18, 8.915003E-19, \n & 5.026284E-19, 1.273166E-19, 1.232364E-21 /\n DATA ( ECS_REF( IAFG1, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.731773E-18, 1.412652E-18, 1.107261E-18, 8.915003E-19, \n & 5.026284E-19, 1.273166E-19, 1.232364E-21 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IAFG1, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.000000E+00 /\n DATA ( EQY_REF( IAFG1, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.000000E+00 /\n DATA ( EQY_REF( IAFG1, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.000000E+00 /\n\n\nC...MACR-06\nC.. Methacrolein total photolysis\nC.. Absorption cross sections from IUPAC Subcommittee on Gas Kinetic Data Evaluatio\nC.. Website: http://www.iupac-kinetic.ch.cam.ac.uk/. This datasheet updated: 16th M\nC.. The quantum yields were derived using the pressure and wavelength-dependent\nC.. expression given by IUPAC (2005) for MVK, with the total pressure adjusted so\nC.. that the radical forming photolysis rates for the chamber experiments are the\nC.. same as those that fit the chamber data.\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IMACR_06 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IMACR_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.639069E-20, 3.936243E-20, 4.989644E-20, 5.926228E-20, \n & 6.528440E-20, 1.326860E-20, 0.000000E+00 /\n DATA ( CS_REF( IMACR_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 2.639069E-20, 3.936243E-20, 4.989644E-20, 5.926228E-20, \n & 6.528440E-20, 1.326860E-20, 0.000000E+00 /\n DATA ( CS_REF( IMACR_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 2.639069E-20, 3.936243E-20, 4.989644E-20, 5.926228E-20, \n & 6.528440E-20, 1.326860E-20, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IMACR_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.901060E-02, 3.073938E-02, 2.101921E-02, 1.479159E-02, \n & 6.251532E-03, 5.827893E-04, 0.000000E+00 /\n DATA ( QY_REF( IMACR_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.901060E-02, 3.073938E-02, 2.101921E-02, 1.479159E-02, \n & 6.251532E-03, 5.827893E-04, 0.000000E+00 /\n DATA ( QY_REF( IMACR_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.901060E-02, 3.073938E-02, 2.101921E-02, 1.479159E-02, \n & 6.251532E-03, 5.827893E-04, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IMACR_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.276395E-21, 1.192334E-21, 1.045253E-21, 8.708182E-22, \n & 4.101432E-22, 2.057185E-23, 0.000000E+00 /\n DATA ( ECS_REF( IMACR_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.276395E-21, 1.192334E-21, 1.045253E-21, 8.708182E-22, \n & 4.101432E-22, 2.057185E-23, 0.000000E+00 /\n DATA ( ECS_REF( IMACR_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.276395E-21, 1.192334E-21, 1.045253E-21, 8.708182E-22, \n & 4.101432E-22, 2.057185E-23, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IMACR_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.836535E-02, 3.029118E-02, 2.094846E-02, 1.469431E-02, \n & 6.282408E-03, 1.550416E-03, 0.000000E+00 /\n DATA ( EQY_REF( IMACR_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.836535E-02, 3.029118E-02, 2.094846E-02, 1.469431E-02, \n & 6.282408E-03, 1.550416E-03, 0.000000E+00 /\n DATA ( EQY_REF( IMACR_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.836535E-02, 3.029118E-02, 2.094846E-02, 1.469431E-02, \n & 6.282408E-03, 1.550416E-03, 0.000000E+00 /\n\n\nC...MVK-06\nC.. MVK total photolysis\nC.. IUPAC Subcommittee on Gas Kinetic Data Evaluation Data Sheet P10\nC.. Website: http://www.iupac-kinetic.ch.cam.ac.uk/\nC.. This datasheet updated: 9th August 2002.\nC.. Decline in absorption cross sections with wavelength above 395 nm estimated by\nC.. linear interpolation.\nC.. Quantum yields for all photodecomposition processes. IUPAC recommends ~60% for\nC.. propene formation, rest radical forming routes.\nC.. Quantum yields calculated for 1 atm overpredicts photolysis rates for chamber\nC.. experiments that gives best fits to data. Effective pressure increased to 5 atm\nC.. to give overall quantum yields that are consistent with modeling chamber data.\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IMVK_06 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IMVK_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.041510E-20, 4.373022E-20, 5.436504E-20, 6.318700E-20, \n & 6.828638E-20, 8.068900E-21, 0.000000E+00 /\n DATA ( CS_REF( IMVK_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 3.041510E-20, 4.373022E-20, 5.436504E-20, 6.318700E-20, \n & 6.828638E-20, 8.068900E-21, 0.000000E+00 /\n DATA ( CS_REF( IMVK_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 3.041510E-20, 4.373022E-20, 5.436504E-20, 6.318700E-20, \n & 6.828638E-20, 8.068900E-21, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IMVK_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.750365E-02, 1.113042E-02, 7.578317E-03, 5.286919E-03, \n & 2.238234E-03, 1.619926E-04, 0.000000E+00 /\n DATA ( QY_REF( IMVK_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.750365E-02, 1.113042E-02, 7.578317E-03, 5.286919E-03, \n & 2.238234E-03, 1.619926E-04, 0.000000E+00 /\n DATA ( QY_REF( IMVK_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.750365E-02, 1.113042E-02, 7.578317E-03, 5.286919E-03, \n & 2.238234E-03, 1.619926E-04, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IMVK_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.264579E-22, 4.799992E-22, 4.109015E-22, 3.323382E-22, \n & 1.546971E-22, 7.828037E-24, 0.000000E+00 /\n DATA ( ECS_REF( IMVK_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 5.264579E-22, 4.799992E-22, 4.109015E-22, 3.323382E-22, \n & 1.546971E-22, 7.828037E-24, 0.000000E+00 /\n DATA ( ECS_REF( IMVK_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 5.264579E-22, 4.799992E-22, 4.109015E-22, 3.323382E-22, \n & 1.546971E-22, 7.828037E-24, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IMVK_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.730910E-02, 1.097637E-02, 7.558194E-03, 5.259598E-03, \n & 2.265416E-03, 9.701491E-04, 0.000000E+00 /\n DATA ( EQY_REF( IMVK_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.730910E-02, 1.097637E-02, 7.558194E-03, 5.259598E-03, \n & 2.265416E-03, 9.701491E-04, 0.000000E+00 /\n DATA ( EQY_REF( IMVK_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.730910E-02, 1.097637E-02, 7.558194E-03, 5.259598E-03, \n & 2.265416E-03, 9.701491E-04, 0.000000E+00 /\n\n\nC...IC3ONO2\nC.. ! I-C3H7ONO2 + HV = PRODUCTS\nC.. IUPAC (1997). Recommend assuming unit quantum yields.\nC.. This has stronger absorption than n-C3-ONO2 and lower nitrates,\nC.. but chosen as representative of lumped higher nitrates.\nC.. wl abs\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IIC3ONO2 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IIC3ONO2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.255484E-20, 6.352138E-21, 3.286576E-21, 1.709805E-21, \n & 2.667180E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IIC3ONO2, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.255484E-20, 6.352138E-21, 3.286576E-21, 1.709805E-21, \n & 2.667180E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IIC3ONO2, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.255484E-20, 6.352138E-21, 3.286576E-21, 1.709805E-21, \n & 2.667180E-22, 0.000000E+00, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IIC3ONO2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 5.754197E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IIC3ONO2, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 5.754197E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IIC3ONO2, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 5.754197E-01, 0.000000E+00, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IIC3ONO2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.255484E-20, 6.352138E-21, 3.286576E-21, 1.709805E-21, \n & 2.667175E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IIC3ONO2, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.255484E-20, 6.352138E-21, 3.286576E-21, 1.709805E-21, \n & 2.667175E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IIC3ONO2, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.255484E-20, 6.352138E-21, 3.286576E-21, 1.709805E-21, \n & 2.667175E-22, 0.000000E+00, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IIC3ONO2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.999982E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IIC3ONO2, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.999982E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IIC3ONO2, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.999982E-01, 0.000000E+00, 0.000000E+00 /\n\n\nC...HOCCHO_IUPAC\nC.. HOCH2CHO + hv ---> products\t\t\nC.. IUPAC (2002) based on Bacher et al (2001), J. Atm. Chem, 39, 171.\nC.. quantum yield = 0.75+/-0.25\t\t\nC.. lambda(nm) xcross(1.E+20*cm2) yield\t\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IHOCCHO_IUPAC ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IHOCCHO_IUPAC, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.704782E-20, 2.277373E-20, 1.257586E-20, 5.852344E-21, \n & 6.511950E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IHOCCHO_IUPAC, 2, IWLR ), IWLR = 1, 7 ) /\n & 3.704782E-20, 2.277373E-20, 1.257586E-20, 5.852344E-21, \n & 6.511950E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IHOCCHO_IUPAC, 3, IWLR ), IWLR = 1, 7 ) /\n & 3.704782E-20, 2.277373E-20, 1.257586E-20, 5.852344E-21, \n & 6.511950E-22, 0.000000E+00, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IHOCCHO_IUPAC, 1, IWLR ), IWLR = 1, 7 ) /\n & 7.500000E-01, 7.500000E-01, 7.500000E-01, 7.500000E-01, \n & 4.315647E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IHOCCHO_IUPAC, 2, IWLR ), IWLR = 1, 7 ) /\n & 7.500000E-01, 7.500000E-01, 7.500000E-01, 7.500000E-01, \n & 4.315647E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IHOCCHO_IUPAC, 3, IWLR ), IWLR = 1, 7 ) /\n & 7.500000E-01, 7.500000E-01, 7.500000E-01, 7.500000E-01, \n & 4.315647E-01, 0.000000E+00, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IHOCCHO_IUPAC, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.778587E-20, 1.708030E-20, 9.431893E-21, 4.389258E-21, \n & 4.882468E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IHOCCHO_IUPAC, 2, IWLR ), IWLR = 1, 7 ) /\n & 2.778587E-20, 1.708030E-20, 9.431893E-21, 4.389258E-21, \n & 4.882468E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IHOCCHO_IUPAC, 3, IWLR ), IWLR = 1, 7 ) /\n & 2.778587E-20, 1.708030E-20, 9.431893E-21, 4.389258E-21, \n & 4.882468E-22, 0.000000E+00, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IHOCCHO_IUPAC, 1, IWLR ), IWLR = 1, 7 ) /\n & 7.500000E-01, 7.500000E-01, 7.500000E-01, 7.500000E-01, \n & 7.497705E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IHOCCHO_IUPAC, 2, IWLR ), IWLR = 1, 7 ) /\n & 7.500000E-01, 7.500000E-01, 7.500000E-01, 7.500000E-01, \n & 7.497705E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IHOCCHO_IUPAC, 3, IWLR ), IWLR = 1, 7 ) /\n & 7.500000E-01, 7.500000E-01, 7.500000E-01, 7.500000E-01, \n & 7.497705E-01, 0.000000E+00, 0.000000E+00 /\n\n\nC...ACRO-09\nC.. ! Chemical Kinetics and Photochemical Data for Use in Atmospheric Studies\nC.. Evaluation Number 15. JPL Publication 06-2. July 10, 2006\nC.. The quantum yields were derived using the pressure and wavelength-dependent\nC.. expression given by IUPAC (2005) for MVK,\nC.. with the total pressure adjusted so that the radical forming photolysis rates\nC.. for the chamber experiments are the same as those that fit the chamber data.\nC.. Adjusted pressure = 1.50 atm.\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IACRO_09 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IACRO_09, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.856128E-20, 2.787986E-20, 3.602616E-20, 4.321518E-20, \n & 5.371941E-20, 1.543857E-20, 0.000000E+00 /\n DATA ( CS_REF( IACRO_09, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.856128E-20, 2.787986E-20, 3.602616E-20, 4.321518E-20, \n & 5.371941E-20, 1.543857E-20, 0.000000E+00 /\n DATA ( CS_REF( IACRO_09, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.856128E-20, 2.787986E-20, 3.602616E-20, 4.321518E-20, \n & 5.371941E-20, 1.543857E-20, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IACRO_09, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.332902E-02, 3.341169E-02, 2.275737E-02, 1.604885E-02, \n & 6.814500E-03, 6.657408E-04, 0.000000E+00 /\n DATA ( QY_REF( IACRO_09, 2, IWLR ), IWLR = 1, 7 ) /\n & 5.332902E-02, 3.341169E-02, 2.275737E-02, 1.604885E-02, \n & 6.814500E-03, 6.657408E-04, 0.000000E+00 /\n DATA ( QY_REF( IACRO_09, 3, IWLR ), IWLR = 1, 7 ) /\n & 5.332902E-02, 3.341169E-02, 2.275737E-02, 1.604885E-02, \n & 6.814500E-03, 6.657408E-04, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IACRO_09, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.780021E-22, 9.183044E-22, 8.156418E-22, 6.894441E-22, \n & 3.635461E-22, 2.508367E-23, 0.000000E+00 /\n DATA ( ECS_REF( IACRO_09, 2, IWLR ), IWLR = 1, 7 ) /\n & 9.780021E-22, 9.183044E-22, 8.156418E-22, 6.894441E-22, \n & 3.635461E-22, 2.508367E-23, 0.000000E+00 /\n DATA ( ECS_REF( IACRO_09, 3, IWLR ), IWLR = 1, 7 ) /\n & 9.780021E-22, 9.183044E-22, 8.156418E-22, 6.894441E-22, \n & 3.635461E-22, 2.508367E-23, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IACRO_09, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.269045E-02, 3.293790E-02, 2.264026E-02, 1.595375E-02, \n & 6.767500E-03, 1.624741E-03, 0.000000E+00 /\n DATA ( EQY_REF( IACRO_09, 2, IWLR ), IWLR = 1, 7 ) /\n & 5.269045E-02, 3.293790E-02, 2.264026E-02, 1.595375E-02, \n & 6.767500E-03, 1.624741E-03, 0.000000E+00 /\n DATA ( EQY_REF( IACRO_09, 3, IWLR ), IWLR = 1, 7 ) /\n & 5.269045E-02, 3.293790E-02, 2.264026E-02, 1.595375E-02, \n & 6.767500E-03, 1.624741E-03, 0.000000E+00 /\n\n\nC...PAA\nC.. Peroxy acetic acid absorption cross sections\nC.. Orlando, J. J. and G. S. Tyndall (2003): \"Gas phase UV absorption spectra\nC.. for peracetic acid, and for acetic acid monomers and dimers,\" J. Photochem.\nC.. Photobiol A, 157, 161-166.\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IPAA ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IPAA, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.880973E-21, 9.984294E-22, 5.884834E-22, 3.735140E-22, \n & 1.059116E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IPAA, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.880973E-21, 9.984294E-22, 5.884834E-22, 3.735140E-22, \n & 1.059116E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IPAA, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.880973E-21, 9.984294E-22, 5.884834E-22, 3.735140E-22, \n & 1.059116E-22, 0.000000E+00, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IPAA, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.624107E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IPAA, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.624107E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IPAA, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.624107E-01, 0.000000E+00, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IPAA, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.880973E-21, 9.984294E-22, 5.884834E-22, 3.735140E-22, \n & 1.059115E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IPAA, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.880973E-21, 9.984294E-22, 5.884834E-22, 3.735140E-22, \n & 1.059115E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IPAA, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.880973E-21, 9.984294E-22, 5.884834E-22, 3.735140E-22, \n & 1.059115E-22, 0.000000E+00, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IPAA, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.999991E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IPAA, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.999991E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IPAA, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.999991E-01, 0.000000E+00, 0.000000E+00 /\n\n\nC...CL2\nC.. CL2 + HV = 2 CL \t\nC.. \tFROM IUPAC EVALUATION (1996)\nC.. \tRECOMMEND UNIT QUANTUM YIELD\nC.. \t\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, ICL2 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( ICL2, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.824935E-20, 1.400673E-19, 1.841698E-19, 2.185164E-19, \n & 2.410846E-19, 6.539243E-20, 6.311132E-22 /\n DATA ( CS_REF( ICL2, 2, IWLR ), IWLR = 1, 7 ) /\n & 8.824935E-20, 1.400673E-19, 1.841698E-19, 2.185164E-19, \n & 2.410846E-19, 6.539243E-20, 6.311132E-22 /\n DATA ( CS_REF( ICL2, 3, IWLR ), IWLR = 1, 7 ) /\n & 8.824935E-20, 1.400673E-19, 1.841698E-19, 2.185164E-19, \n & 2.410846E-19, 6.539243E-20, 6.311132E-22 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( ICL2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.368807E-01 /\n DATA ( QY_REF( ICL2, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.368807E-01 /\n DATA ( QY_REF( ICL2, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.368807E-01 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( ICL2, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.824935E-20, 1.400673E-19, 1.841698E-19, 2.185164E-19, \n & 2.410846E-19, 6.539243E-20, 6.311132E-22 /\n DATA ( ECS_REF( ICL2, 2, IWLR ), IWLR = 1, 7 ) /\n & 8.824935E-20, 1.400673E-19, 1.841698E-19, 2.185164E-19, \n & 2.410846E-19, 6.539243E-20, 6.311132E-22 /\n DATA ( ECS_REF( ICL2, 3, IWLR ), IWLR = 1, 7 ) /\n & 8.824935E-20, 1.400673E-19, 1.841698E-19, 2.185164E-19, \n & 2.410846E-19, 6.539243E-20, 6.311132E-22 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( ICL2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.999999E-01 /\n DATA ( EQY_REF( ICL2, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.999999E-01 /\n DATA ( EQY_REF( ICL2, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.999999E-01 /\n\n\nC...CLNO-06\nC.. CLNO absorption cross sections recommended by IUPAC (2005)\nC.. Wavelength where absorption goes to zero est'd by extrapolation\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, ICLNO_06 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( ICLNO_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.713532E-20, 1.043432E-19, 1.150344E-19, 1.267321E-19, \n & 1.479858E-19, 8.438991E-20, 4.594130E-21 /\n DATA ( CS_REF( ICLNO_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 9.713532E-20, 1.043432E-19, 1.150344E-19, 1.267321E-19, \n & 1.479858E-19, 8.438991E-20, 4.594130E-21 /\n DATA ( CS_REF( ICLNO_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 9.713532E-20, 1.043432E-19, 1.150344E-19, 1.267321E-19, \n & 1.479858E-19, 8.438991E-20, 4.594130E-21 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( ICLNO_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 2.444760E-01 /\n DATA ( QY_REF( ICLNO_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 2.444760E-01 /\n DATA ( QY_REF( ICLNO_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 2.444760E-01 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( ICLNO_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.713532E-20, 1.043432E-19, 1.150344E-19, 1.267321E-19, \n & 1.479858E-19, 8.438991E-20, 4.594130E-21 /\n DATA ( ECS_REF( ICLNO_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 9.713532E-20, 1.043432E-19, 1.150344E-19, 1.267321E-19, \n & 1.479858E-19, 8.438991E-20, 4.594130E-21 /\n DATA ( ECS_REF( ICLNO_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 9.713532E-20, 1.043432E-19, 1.150344E-19, 1.267321E-19, \n & 1.479858E-19, 8.438991E-20, 4.594130E-21 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( ICLNO_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.999999E-01 /\n DATA ( EQY_REF( ICLNO_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.999999E-01 /\n DATA ( EQY_REF( ICLNO_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.999999E-01 /\n\n\nC...CLONO\nC.. CLONO + HV = CL + NO2\t\nC.. \tFROM IUPAC EVALUATION (1996)\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, ICLONO ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( ICLONO, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.405580E-18, 1.198578E-18, 1.052515E-18, 9.205324E-19, \n & 5.728580E-19, 7.394595E-20, 0.000000E+00 /\n DATA ( CS_REF( ICLONO, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.405580E-18, 1.198578E-18, 1.052515E-18, 9.205324E-19, \n & 5.728580E-19, 7.394595E-20, 0.000000E+00 /\n DATA ( CS_REF( ICLONO, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.405580E-18, 1.198578E-18, 1.052515E-18, 9.205324E-19, \n & 5.728580E-19, 7.394595E-20, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( ICLONO, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 8.317809E-01, 0.000000E+00 /\n DATA ( QY_REF( ICLONO, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 8.317809E-01, 0.000000E+00 /\n DATA ( QY_REF( ICLONO, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 8.317809E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( ICLONO, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.405580E-18, 1.198578E-18, 1.052515E-18, 9.205324E-19, \n & 5.728580E-19, 7.394595E-20, 0.000000E+00 /\n DATA ( ECS_REF( ICLONO, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.405580E-18, 1.198578E-18, 1.052515E-18, 9.205324E-19, \n & 5.728580E-19, 7.394595E-20, 0.000000E+00 /\n DATA ( ECS_REF( ICLONO, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.405580E-18, 1.198578E-18, 1.052515E-18, 9.205324E-19, \n & 5.728580E-19, 7.394595E-20, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( ICLONO, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999999E-01, 0.000000E+00 /\n DATA ( EQY_REF( ICLONO, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999999E-01, 0.000000E+00 /\n DATA ( EQY_REF( ICLONO, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999999E-01, 0.000000E+00 /\n\n\nC...CLNO2\nC.. CLNO2 + HV = CL + NO2\t\nC.. \tFROM IUPAC EVALUATION (1996)\nC.. \tRECOMMEND UNIT QUANTUM YILED\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, ICLNO2 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( ICLNO2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.619476E-19, 1.400598E-19, 1.206790E-19, 1.001660E-19, \n & 5.258209E-20, 4.822250E-21, 0.000000E+00 /\n DATA ( CS_REF( ICLNO2, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.619476E-19, 1.400598E-19, 1.206790E-19, 1.001660E-19, \n & 5.258209E-20, 4.822250E-21, 0.000000E+00 /\n DATA ( CS_REF( ICLNO2, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.619476E-19, 1.400598E-19, 1.206790E-19, 1.001660E-19, \n & 5.258209E-20, 4.822250E-21, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( ICLNO2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 4.412513E-01, 0.000000E+00 /\n DATA ( QY_REF( ICLNO2, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 4.412513E-01, 0.000000E+00 /\n DATA ( QY_REF( ICLNO2, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 4.412513E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( ICLNO2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.619476E-19, 1.400598E-19, 1.206790E-19, 1.001660E-19, \n & 5.258209E-20, 4.822249E-21, 0.000000E+00 /\n DATA ( ECS_REF( ICLNO2, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.619476E-19, 1.400598E-19, 1.206790E-19, 1.001660E-19, \n & 5.258209E-20, 4.822249E-21, 0.000000E+00 /\n DATA ( ECS_REF( ICLNO2, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.619476E-19, 1.400598E-19, 1.206790E-19, 1.001660E-19, \n & 5.258209E-20, 4.822249E-21, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( ICLNO2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999997E-01, 0.000000E+00 /\n DATA ( EQY_REF( ICLNO2, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999997E-01, 0.000000E+00 /\n DATA ( EQY_REF( ICLNO2, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999997E-01, 0.000000E+00 /\n\n\nC...CLONO2-1\nC.. CLONO2 + hv = CLO. + NO2\nC.. CLONO2 absorption cross sections and quantum yields recommended by IUPAC (2005)\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, ICLONO2_1 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( ICLONO2_1, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.653757E-20, 2.593168E-20, 1.621918E-20, 1.063002E-20, \n & 4.392583E-21, 4.870603E-22, 0.000000E+00 /\n DATA ( CS_REF( ICLONO2_1, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.653757E-20, 2.593168E-20, 1.621918E-20, 1.063002E-20, \n & 4.392583E-21, 4.870603E-22, 0.000000E+00 /\n DATA ( CS_REF( ICLONO2_1, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.653757E-20, 2.593168E-20, 1.621918E-20, 1.063002E-20, \n & 4.392583E-21, 4.870603E-22, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( ICLONO2_1, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.000000E-01, 3.989907E-01, 3.830689E-01, 3.395569E-01, \n & 2.198601E-01, 1.467996E-02, 0.000000E+00 /\n DATA ( QY_REF( ICLONO2_1, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.000000E-01, 3.989907E-01, 3.830689E-01, 3.395569E-01, \n & 2.198601E-01, 1.467996E-02, 0.000000E+00 /\n DATA ( QY_REF( ICLONO2_1, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.000000E-01, 3.989907E-01, 3.830689E-01, 3.395569E-01, \n & 2.198601E-01, 1.467996E-02, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( ICLONO2_1, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.861503E-20, 1.035218E-20, 6.224706E-21, 3.635974E-21, \n & 1.037275E-21, 3.317175E-23, 0.000000E+00 /\n DATA ( ECS_REF( ICLONO2_1, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.861503E-20, 1.035218E-20, 6.224706E-21, 3.635974E-21, \n & 1.037275E-21, 3.317175E-23, 0.000000E+00 /\n DATA ( ECS_REF( ICLONO2_1, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.861503E-20, 1.035218E-20, 6.224706E-21, 3.635974E-21, \n & 1.037275E-21, 3.317175E-23, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( ICLONO2_1, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.000000E-01, 3.992096E-01, 3.837866E-01, 3.420477E-01, \n & 2.361424E-01, 6.810604E-02, 0.000000E+00 /\n DATA ( EQY_REF( ICLONO2_1, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.000000E-01, 3.992096E-01, 3.837866E-01, 3.420477E-01, \n & 2.361424E-01, 6.810604E-02, 0.000000E+00 /\n DATA ( EQY_REF( ICLONO2_1, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.000000E-01, 3.992096E-01, 3.837866E-01, 3.420477E-01, \n & 2.361424E-01, 6.810604E-02, 0.000000E+00 /\n\n\nC...CLONO2-2\nC.. CLONO2 + hv = CL. + NO3\nC.. CLONO2 absorption cross sections and quantum yields recommended by IUPAC (2005)\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, ICLONO2_2 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( ICLONO2_2, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.653757E-20, 2.593168E-20, 1.621918E-20, 1.063002E-20, \n & 4.392583E-21, 1.220202E-21, 9.579231E-24 /\n DATA ( CS_REF( ICLONO2_2, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.653757E-20, 2.593168E-20, 1.621918E-20, 1.063002E-20, \n & 4.392583E-21, 1.220202E-21, 9.579231E-24 /\n DATA ( CS_REF( ICLONO2_2, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.653757E-20, 2.593168E-20, 1.621918E-20, 1.063002E-20, \n & 4.392583E-21, 1.220202E-21, 9.579231E-24 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( ICLONO2_2, 1, IWLR ), IWLR = 1, 7 ) /\n & 6.000000E-01, 6.010093E-01, 6.169312E-01, 6.604431E-01, \n & 7.801399E-01, 9.853200E-01, 3.841701E-02 /\n DATA ( QY_REF( ICLONO2_2, 2, IWLR ), IWLR = 1, 7 ) /\n & 6.000000E-01, 6.010093E-01, 6.169312E-01, 6.604431E-01, \n & 7.801399E-01, 9.853200E-01, 3.841701E-02 /\n DATA ( QY_REF( ICLONO2_2, 3, IWLR ), IWLR = 1, 7 ) /\n & 6.000000E-01, 6.010093E-01, 6.169312E-01, 6.604431E-01, \n & 7.801399E-01, 9.853200E-01, 3.841701E-02 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( ICLONO2_2, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.792254E-20, 1.557950E-20, 9.994480E-21, 6.994048E-21, \n & 3.355308E-21, 1.187030E-21, 9.579221E-24 /\n DATA ( ECS_REF( ICLONO2_2, 2, IWLR ), IWLR = 1, 7 ) /\n & 2.792254E-20, 1.557950E-20, 9.994480E-21, 6.994048E-21, \n & 3.355308E-21, 1.187030E-21, 9.579221E-24 /\n DATA ( ECS_REF( ICLONO2_2, 3, IWLR ), IWLR = 1, 7 ) /\n & 2.792254E-20, 1.557950E-20, 9.994480E-21, 6.994048E-21, \n & 3.355308E-21, 1.187030E-21, 9.579221E-24 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( ICLONO2_2, 1, IWLR ), IWLR = 1, 7 ) /\n & 6.000000E-01, 6.007904E-01, 6.162134E-01, 6.579523E-01, \n & 7.638576E-01, 9.728145E-01, 9.999989E-01 /\n DATA ( EQY_REF( ICLONO2_2, 2, IWLR ), IWLR = 1, 7 ) /\n & 6.000000E-01, 6.007904E-01, 6.162134E-01, 6.579523E-01, \n & 7.638576E-01, 9.728145E-01, 9.999989E-01 /\n DATA ( EQY_REF( ICLONO2_2, 3, IWLR ), IWLR = 1, 7 ) /\n & 6.000000E-01, 6.007904E-01, 6.162134E-01, 6.579523E-01, \n & 7.638576E-01, 9.728145E-01, 9.999989E-01 /\n\n\nC...HOCL-06\nC.. HOCL absorption cross sections recommended by IUPAC (2005)\nC..\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IHOCL_06 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IHOCL_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.570117E-20, 6.066935E-20, 5.958161E-20, 5.377945E-20, \n & 3.120855E-20, 6.545254E-21, 1.283773E-23 /\n DATA ( CS_REF( IHOCL_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 5.570117E-20, 6.066935E-20, 5.958161E-20, 5.377945E-20, \n & 3.120855E-20, 6.545254E-21, 1.283773E-23 /\n DATA ( CS_REF( IHOCL_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 5.570117E-20, 6.066935E-20, 5.958161E-20, 5.377945E-20, \n & 3.120855E-20, 6.545254E-21, 1.283773E-23 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IHOCL_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.671194E-02 /\n DATA ( QY_REF( IHOCL_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.671194E-02 /\n DATA ( QY_REF( IHOCL_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.671194E-02 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IHOCL_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.570117E-20, 6.066935E-20, 5.958161E-20, 5.377945E-20, \n & 3.120855E-20, 6.545254E-21, 1.283764E-23 /\n DATA ( ECS_REF( IHOCL_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 5.570117E-20, 6.066935E-20, 5.958161E-20, 5.377945E-20, \n & 3.120855E-20, 6.545254E-21, 1.283764E-23 /\n DATA ( ECS_REF( IHOCL_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 5.570117E-20, 6.066935E-20, 5.958161E-20, 5.377945E-20, \n & 3.120855E-20, 6.545254E-21, 1.283764E-23 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IHOCL_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.999929E-01 /\n DATA ( EQY_REF( IHOCL_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.999929E-01 /\n DATA ( EQY_REF( IHOCL_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.999929E-01 /\n\n\nC...CLCCHO\nC.. Chloroacetaldehyde absorption cross sections\nC.. NASA (2006) evaluation\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, ICLCCHO ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( ICLCCHO, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.379352E-20, 5.300264E-20, 4.849378E-20, 3.861017E-20, \n & 1.286108E-20, 9.229011E-23, 0.000000E+00 /\n DATA ( CS_REF( ICLCCHO, 2, IWLR ), IWLR = 1, 7 ) /\n & 5.379352E-20, 5.300264E-20, 4.849378E-20, 3.861017E-20, \n & 1.286108E-20, 9.229011E-23, 0.000000E+00 /\n DATA ( CS_REF( ICLCCHO, 3, IWLR ), IWLR = 1, 7 ) /\n & 5.379352E-20, 5.300264E-20, 4.849378E-20, 3.861017E-20, \n & 1.286108E-20, 9.229011E-23, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( ICLCCHO, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.478604E-01, 0.000000E+00 /\n DATA ( QY_REF( ICLCCHO, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.478604E-01, 0.000000E+00 /\n DATA ( QY_REF( ICLCCHO, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.478604E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( ICLCCHO, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.379352E-20, 5.300264E-20, 4.849378E-20, 3.861017E-20, \n & 1.286108E-20, 9.228993E-23, 0.000000E+00 /\n DATA ( ECS_REF( ICLCCHO, 2, IWLR ), IWLR = 1, 7 ) /\n & 5.379352E-20, 5.300264E-20, 4.849378E-20, 3.861017E-20, \n & 1.286108E-20, 9.228993E-23, 0.000000E+00 /\n DATA ( ECS_REF( ICLCCHO, 3, IWLR ), IWLR = 1, 7 ) /\n & 5.379352E-20, 5.300264E-20, 4.849378E-20, 3.861017E-20, \n & 1.286108E-20, 9.228993E-23, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( ICLCCHO, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999981E-01, 0.000000E+00 /\n DATA ( EQY_REF( ICLCCHO, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999981E-01, 0.000000E+00 /\n DATA ( EQY_REF( ICLCCHO, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999981E-01, 0.000000E+00 /\n\n\nC...CLACET\nC.. Chloroacetone absorption cross sections\nC.. Chloroacetone absorption cross sections\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, ICLACET ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( ICLACET, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000121E-19, 8.662045E-20, 6.774627E-20, 4.765676E-20, \n & 1.132983E-20, 6.893275E-23, 0.000000E+00 /\n DATA ( CS_REF( ICLACET, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000121E-19, 8.662045E-20, 6.774627E-20, 4.765676E-20, \n & 1.132983E-20, 6.893275E-23, 0.000000E+00 /\n DATA ( CS_REF( ICLACET, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000121E-19, 8.662045E-20, 6.774627E-20, 4.765676E-20, \n & 1.132983E-20, 6.893275E-23, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( ICLACET, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 2.282282E-01, 0.000000E+00 /\n DATA ( QY_REF( ICLACET, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 2.282282E-01, 0.000000E+00 /\n DATA ( QY_REF( ICLACET, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 2.282282E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( ICLACET, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000121E-19, 8.662045E-20, 6.774627E-20, 4.765676E-20, \n & 1.132983E-20, 6.893270E-23, 0.000000E+00 /\n DATA ( ECS_REF( ICLACET, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000121E-19, 8.662045E-20, 6.774627E-20, 4.765676E-20, \n & 1.132983E-20, 6.893270E-23, 0.000000E+00 /\n DATA ( ECS_REF( ICLACET, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000121E-19, 8.662045E-20, 6.774627E-20, 4.765676E-20, \n & 1.132983E-20, 6.893270E-23, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( ICLACET, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999993E-01, 0.000000E+00 /\n DATA ( EQY_REF( ICLACET, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999993E-01, 0.000000E+00 /\n DATA ( EQY_REF( ICLACET, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999993E-01, 0.000000E+00 /\n\n\nC...NO2_SAPRC99\nC.. NO2 + HV = NO + O\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, INO2_SAPRC99 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( INO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.079359E-19, 1.478273E-19, 1.860793E-19, 2.249056E-19, \n & 3.335557E-19, 5.492276E-19, 1.148337E-20 /\n DATA ( CS_REF( INO2_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.079359E-19, 1.478273E-19, 1.860793E-19, 2.249056E-19, \n & 3.335557E-19, 5.492276E-19, 1.148337E-20 /\n DATA ( CS_REF( INO2_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.079359E-19, 1.478273E-19, 1.860793E-19, 2.249056E-19, \n & 3.335557E-19, 5.492276E-19, 1.148337E-20 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( INO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 9.986851E-01, 9.908283E-01, \n & 9.900000E-01, 7.922024E-01, 7.010630E-04 /\n DATA ( QY_REF( INO2_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 9.986851E-01, 9.908283E-01, \n & 9.900000E-01, 7.922024E-01, 7.010630E-04 /\n DATA ( QY_REF( INO2_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 9.986851E-01, 9.908283E-01, \n & 9.900000E-01, 7.922024E-01, 7.010630E-04 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( INO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.079359E-19, 1.478273E-19, 1.858225E-19, 2.228264E-19, \n & 3.302202E-19, 4.272925E-19, 4.015366E-22 /\n DATA ( ECS_REF( INO2_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.079359E-19, 1.478273E-19, 1.858225E-19, 2.228264E-19, \n & 3.302202E-19, 4.272925E-19, 4.015366E-22 /\n DATA ( ECS_REF( INO2_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.079359E-19, 1.478273E-19, 1.858225E-19, 2.228264E-19, \n & 3.302202E-19, 4.272925E-19, 4.015366E-22 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( INO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 9.986201E-01, 9.907553E-01, \n & 9.900000E-01, 7.779881E-01, 3.496679E-02 /\n DATA ( EQY_REF( INO2_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 9.986201E-01, 9.907553E-01, \n & 9.900000E-01, 7.779881E-01, 3.496679E-02 /\n DATA ( EQY_REF( INO2_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 9.986201E-01, 9.907553E-01, \n & 9.900000E-01, 7.779881E-01, 3.496679E-02 /\n\n\nC...NO3NO_SAPRC99\nC.. NO3 + HV = NO + O2 (T=298)\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, INO3NO_SAPRC99 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( INO3NO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 5.695913E-19 /\n DATA ( CS_REF( INO3NO_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 5.695913E-19 /\n DATA ( CS_REF( INO3NO_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 5.695913E-19 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( INO3NO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 2.027933E-02 /\n DATA ( QY_REF( INO3NO_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 2.027933E-02 /\n DATA ( QY_REF( INO3NO_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 2.027933E-02 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( INO3NO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 8.172153E-20 /\n DATA ( ECS_REF( INO3NO_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 8.172153E-20 /\n DATA ( ECS_REF( INO3NO_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 8.172153E-20 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( INO3NO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 1.434740E-01 /\n DATA ( EQY_REF( INO3NO_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 1.434740E-01 /\n DATA ( EQY_REF( INO3NO_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 1.434740E-01 /\n\n\nC...NO3NO2_SAPRC99\nC.. NO3 + HV = NO2 + O (T=298)\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, INO3NO2_SAPRC99 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( INO3NO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 4.263211E-21, 1.112198E-18 /\n DATA ( CS_REF( INO3NO2_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 4.263211E-21, 1.112198E-18 /\n DATA ( CS_REF( INO3NO2_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 4.263211E-21, 1.112198E-18 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( INO3NO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 2.818170E-01, 4.333254E-01 /\n DATA ( QY_REF( INO3NO2_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 2.818170E-01, 4.333254E-01 /\n DATA ( QY_REF( INO3NO2_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 2.818170E-01, 4.333254E-01 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( INO3NO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 4.263211E-21, 7.608258E-19 /\n DATA ( ECS_REF( INO3NO2_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 4.263211E-21, 7.608258E-19 /\n DATA ( ECS_REF( INO3NO2_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 4.263211E-21, 7.608258E-19 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( INO3NO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 1.000000E+00, 6.840740E-01 /\n DATA ( EQY_REF( INO3NO2_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 1.000000E+00, 6.840740E-01 /\n DATA ( EQY_REF( INO3NO2_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 1.000000E+00, 6.840740E-01 /\n\n\nC...O3O3P_SAPRC99\nC.. O3 + HV = O1D + O2\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\nC.. Absorption cross sections from NASA (1999), using wavelength which is cente\nC.. r of intervals shown.\nC.. Quantum yields derived from O3->O1D quantum yields assuming total quantum y\nC.. ield is 1, though this is not adequately discussed in the evaluations.\nC.. Values given are interpolated for each 1 nm interval.\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IO3O3P_SAPRC99 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IO3O3P_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.244175E-19, 2.732249E-19, 1.048015E-19, 4.476706E-20, \n & 6.115310E-21, 1.783046E-23, 1.650939E-21 /\n DATA ( CS_REF( IO3O3P_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 8.244175E-19, 2.732249E-19, 1.048015E-19, 4.476706E-20, \n & 6.115310E-21, 1.783046E-23, 1.650939E-21 /\n DATA ( CS_REF( IO3O3P_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 8.244175E-19, 2.732249E-19, 1.048015E-19, 4.476706E-20, \n & 6.115310E-21, 1.783046E-23, 1.650939E-21 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IO3O3P_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 6.227041E-02, 4.316183E-02, 4.576553E-01, 7.880843E-01, \n & 9.572257E-01, 1.000000E+00, 1.000000E+00 /\n DATA ( QY_REF( IO3O3P_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 6.227041E-02, 4.316183E-02, 4.576553E-01, 7.880843E-01, \n & 9.572257E-01, 1.000000E+00, 1.000000E+00 /\n DATA ( QY_REF( IO3O3P_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 6.227041E-02, 4.316183E-02, 4.576553E-01, 7.880843E-01, \n & 9.572257E-01, 1.000000E+00, 1.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IO3O3P_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.234537E-20, 1.108793E-20, 4.421269E-20, 3.478935E-20, \n & 5.673101E-21, 1.783046E-23, 1.650939E-21 /\n DATA ( ECS_REF( IO3O3P_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 5.234537E-20, 1.108793E-20, 4.421269E-20, 3.478935E-20, \n & 5.673101E-21, 1.783046E-23, 1.650939E-21 /\n DATA ( ECS_REF( IO3O3P_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 5.234537E-20, 1.108793E-20, 4.421269E-20, 3.478935E-20, \n & 5.673101E-21, 1.783046E-23, 1.650939E-21 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IO3O3P_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 6.349377E-02, 4.058169E-02, 4.218709E-01, 7.771195E-01, \n & 9.276882E-01, 1.000000E+00, 1.000000E+00 /\n DATA ( EQY_REF( IO3O3P_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 6.349377E-02, 4.058169E-02, 4.218709E-01, 7.771195E-01, \n & 9.276882E-01, 1.000000E+00, 1.000000E+00 /\n DATA ( EQY_REF( IO3O3P_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 6.349377E-02, 4.058169E-02, 4.218709E-01, 7.771195E-01, \n & 9.276882E-01, 1.000000E+00, 1.000000E+00 /\n\n\nC...O3O1D_SAPRC99\nC.. O3 + HV = O1D + O2\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\nC.. Absorption cross sections from NASA (1999), using wavelength which is cente\nC.. r of intervals shown.\nC.. Quantum yields from IUPAC, Supplement VI (1997).\nC.. No quantum yield recommendation is given for wl>335. Assume they decrease\nC.. linearly to zero at 340 nm.\nC.. Values given are interpolated for each 1 nm interval.\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IO3O1D_SAPRC99 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IO3O1D_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.244175E-19, 2.732249E-19, 1.048015E-19, 4.476706E-20, \n & 5.921064E-21, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IO3O1D_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 8.244175E-19, 2.732249E-19, 1.048015E-19, 4.476706E-20, \n & 5.921064E-21, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IO3O1D_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 8.244175E-19, 2.732249E-19, 1.048015E-19, 4.476706E-20, \n & 5.921064E-21, 0.000000E+00, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IO3O1D_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.377296E-01, 9.568382E-01, 5.423447E-01, 2.119156E-01, \n & 4.277430E-02, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IO3O1D_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 9.377296E-01, 9.568382E-01, 5.423447E-01, 2.119156E-01, \n & 4.277430E-02, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IO3O1D_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 9.377296E-01, 9.568382E-01, 5.423447E-01, 2.119156E-01, \n & 4.277430E-02, 0.000000E+00, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IO3O1D_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 7.720721E-19, 2.621370E-19, 6.058880E-20, 9.977705E-21, \n & 4.422089E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IO3O1D_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 7.720721E-19, 2.621370E-19, 6.058880E-20, 9.977705E-21, \n & 4.422089E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IO3O1D_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 7.720721E-19, 2.621370E-19, 6.058880E-20, 9.977705E-21, \n & 4.422089E-22, 0.000000E+00, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IO3O1D_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.365062E-01, 9.594183E-01, 5.781292E-01, 2.228805E-01, \n & 7.468402E-02, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IO3O1D_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 9.365062E-01, 9.594183E-01, 5.781292E-01, 2.228805E-01, \n & 7.468402E-02, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IO3O1D_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 9.365062E-01, 9.594183E-01, 5.781292E-01, 2.228805E-01, \n & 7.468402E-02, 0.000000E+00, 0.000000E+00 /\n\n\nC...HONO_NO_SAPRC99\nC.. HONO + HV = HO. + NO\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IHONO_NO_SAPRC99 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IHONO_NO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 1.218199E-20, 3.477931E-20, \n & 1.090586E-19, 8.781877E-20, 0.000000E+00 /\n DATA ( CS_REF( IHONO_NO_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 1.218199E-20, 3.477931E-20, \n & 1.090586E-19, 8.781877E-20, 0.000000E+00 /\n DATA ( CS_REF( IHONO_NO_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 1.218199E-20, 3.477931E-20, \n & 1.090586E-19, 8.781877E-20, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IHONO_NO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 2.840296E-01, 4.690968E-01, \n & 6.487832E-01, 6.915470E-01, 0.000000E+00 /\n DATA ( QY_REF( IHONO_NO_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 2.840296E-01, 4.690968E-01, \n & 6.487832E-01, 6.915470E-01, 0.000000E+00 /\n DATA ( QY_REF( IHONO_NO_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 2.840296E-01, 4.690968E-01, \n & 6.487832E-01, 6.915470E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IHONO_NO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 5.061778E-21, 1.650458E-20, \n & 7.360098E-20, 8.336920E-20, 0.000000E+00 /\n DATA ( ECS_REF( IHONO_NO_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 5.061778E-21, 1.650458E-20, \n & 7.360098E-20, 8.336920E-20, 0.000000E+00 /\n DATA ( ECS_REF( IHONO_NO_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 5.061778E-21, 1.650458E-20, \n & 7.360098E-20, 8.336920E-20, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IHONO_NO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 4.155132E-01, 4.745518E-01, \n & 6.748757E-01, 9.493324E-01, 0.000000E+00 /\n DATA ( EQY_REF( IHONO_NO_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 4.155132E-01, 4.745518E-01, \n & 6.748757E-01, 9.493324E-01, 0.000000E+00 /\n DATA ( EQY_REF( IHONO_NO_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 4.155132E-01, 4.745518E-01, \n & 6.748757E-01, 9.493324E-01, 0.000000E+00 /\n\n\nC...HONO_NO2_SAPRC99\nC.. HONO + HV = H. + NO2\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IHONO_NO2_SAPRC99 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IHONO_NO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 1.218199E-20, 3.477931E-20, \n & 1.090586E-19, 3.949962E-20, 0.000000E+00 /\n DATA ( CS_REF( IHONO_NO2_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 1.218199E-20, 3.477931E-20, \n & 1.090586E-19, 3.949962E-20, 0.000000E+00 /\n DATA ( CS_REF( IHONO_NO2_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 1.218199E-20, 3.477931E-20, \n & 1.090586E-19, 3.949962E-20, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IHONO_NO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 4.022087E-01, 5.309032E-01, \n & 3.512168E-01, 2.663607E-02, 0.000000E+00 /\n DATA ( QY_REF( IHONO_NO2_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 4.022087E-01, 5.309032E-01, \n & 3.512168E-01, 2.663607E-02, 0.000000E+00 /\n DATA ( QY_REF( IHONO_NO2_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 4.022087E-01, 5.309032E-01, \n & 3.512168E-01, 2.663607E-02, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IHONO_NO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 7.119835E-21, 1.827472E-20, \n & 3.545759E-20, 4.449558E-21, 0.000000E+00 /\n DATA ( ECS_REF( IHONO_NO2_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 7.119835E-21, 1.827472E-20, \n & 3.545759E-20, 4.449558E-21, 0.000000E+00 /\n DATA ( ECS_REF( IHONO_NO2_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 7.119835E-21, 1.827472E-20, \n & 3.545759E-20, 4.449558E-21, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IHONO_NO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 5.844557E-01, 5.254481E-01, \n & 3.251243E-01, 1.126481E-01, 0.000000E+00 /\n DATA ( EQY_REF( IHONO_NO2_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 5.844557E-01, 5.254481E-01, \n & 3.251243E-01, 1.126481E-01, 0.000000E+00 /\n DATA ( EQY_REF( IHONO_NO2_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 5.844557E-01, 5.254481E-01, \n & 3.251243E-01, 1.126481E-01, 0.000000E+00 /\n\n\nC...HNO3_SAPRC99\nC.. HNO3 + HV = products\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IHNO3_SAPRC99 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IHNO3_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.358850E-21, 1.954554E-21, 8.462462E-22, 3.649777E-22, \n & 4.770195E-23, 3.875268E-25, 0.000000E+00 /\n DATA ( CS_REF( IHNO3_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.358850E-21, 1.954554E-21, 8.462462E-22, 3.649777E-22, \n & 4.770195E-23, 3.875268E-25, 0.000000E+00 /\n DATA ( CS_REF( IHNO3_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.358850E-21, 1.954554E-21, 8.462462E-22, 3.649777E-22, \n & 4.770195E-23, 3.875268E-25, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IHNO3_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.142428E-01, 0.000000E+00 /\n DATA ( QY_REF( IHNO3_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.142428E-01, 0.000000E+00 /\n DATA ( QY_REF( IHNO3_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.142428E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IHNO3_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.358850E-21, 1.954554E-21, 8.462462E-22, 3.649777E-22, \n & 4.770195E-23, 3.875251E-25, 0.000000E+00 /\n DATA ( ECS_REF( IHNO3_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.358850E-21, 1.954554E-21, 8.462462E-22, 3.649777E-22, \n & 4.770195E-23, 3.875251E-25, 0.000000E+00 /\n DATA ( ECS_REF( IHNO3_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.358850E-21, 1.954554E-21, 8.462462E-22, 3.649777E-22, \n & 4.770195E-23, 3.875251E-25, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IHNO3_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999956E-01, 0.000000E+00 /\n DATA ( EQY_REF( IHNO3_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999956E-01, 0.000000E+00 /\n DATA ( EQY_REF( IHNO3_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999956E-01, 0.000000E+00 /\n\n\nC...HO2NO2_SAPRC99\nC.. HO2NO2 + HV = PRODUCTS\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IHO2NO2_SAPRC99 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IHO2NO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.591178E-20, 1.079991E-20, 5.527937E-21, 3.457473E-21, \n & 6.327396E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IHO2NO2_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 2.591178E-20, 1.079991E-20, 5.527937E-21, 3.457473E-21, \n & 6.327396E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IHO2NO2_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 2.591178E-20, 1.079991E-20, 5.527937E-21, 3.457473E-21, \n & 6.327396E-22, 0.000000E+00, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IHO2NO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 5.754197E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IHO2NO2_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 5.754197E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IHO2NO2_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 5.754197E-01, 0.000000E+00, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IHO2NO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.591178E-20, 1.079991E-20, 5.527937E-21, 3.457473E-21, \n & 6.327384E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IHO2NO2_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 2.591178E-20, 1.079991E-20, 5.527937E-21, 3.457473E-21, \n & 6.327384E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IHO2NO2_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 2.591178E-20, 1.079991E-20, 5.527937E-21, 3.457473E-21, \n & 6.327384E-22, 0.000000E+00, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IHO2NO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.999982E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IHO2NO2_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.999982E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IHO2NO2_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.999982E-01, 0.000000E+00, 0.000000E+00 /\n\n\nC...H2O2_SAPRC99\nC.. H2O2 + HV = 2 OH\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IH2O2_SAPRC99 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IH2O2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.353266E-21, 5.771016E-21, 3.923017E-21, 2.721918E-21, \n & 1.138123E-21, 3.606306E-23, 0.000000E+00 /\n DATA ( CS_REF( IH2O2_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 9.353266E-21, 5.771016E-21, 3.923017E-21, 2.721918E-21, \n & 1.138123E-21, 3.606306E-23, 0.000000E+00 /\n DATA ( CS_REF( IH2O2_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 9.353266E-21, 5.771016E-21, 3.923017E-21, 2.721918E-21, \n & 1.138123E-21, 3.606306E-23, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IH2O2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.142428E-01, 0.000000E+00 /\n DATA ( QY_REF( IH2O2_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.142428E-01, 0.000000E+00 /\n DATA ( QY_REF( IH2O2_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.142428E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IH2O2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.353266E-21, 5.771016E-21, 3.923017E-21, 2.721918E-21, \n & 1.138123E-21, 3.606289E-23, 0.000000E+00 /\n DATA ( ECS_REF( IH2O2_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 9.353266E-21, 5.771016E-21, 3.923017E-21, 2.721918E-21, \n & 1.138123E-21, 3.606289E-23, 0.000000E+00 /\n DATA ( ECS_REF( IH2O2_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 9.353266E-21, 5.771016E-21, 3.923017E-21, 2.721918E-21, \n & 1.138123E-21, 3.606289E-23, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IH2O2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999954E-01, 0.000000E+00 /\n DATA ( EQY_REF( IH2O2_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999954E-01, 0.000000E+00 /\n DATA ( EQY_REF( IH2O2_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999954E-01, 0.000000E+00 /\n\n\nC...HCHO_R_SAPRC99\nC.. HCHO + HV = HCO + H\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IHCHO_R_SAPRC99 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IHCHO_R_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.131429E-20, 3.361011E-20, 1.633825E-20, 3.089588E-20, \n & 1.387170E-20, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IHCHO_R_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 3.131429E-20, 3.361011E-20, 1.633825E-20, 3.089588E-20, \n & 1.387170E-20, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IHCHO_R_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 3.131429E-20, 3.361011E-20, 1.633825E-20, 3.089588E-20, \n & 1.387170E-20, 0.000000E+00, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IHCHO_R_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 7.530258E-01, 7.793080E-01, 7.694805E-01, 6.766393E-01, \n & 2.101619E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IHCHO_R_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 7.530258E-01, 7.793080E-01, 7.694805E-01, 6.766393E-01, \n & 2.101619E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IHCHO_R_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 7.530258E-01, 7.793080E-01, 7.694805E-01, 6.766393E-01, \n & 2.101619E-01, 0.000000E+00, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IHCHO_R_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.360363E-20, 2.619580E-20, 1.264450E-20, 2.110757E-20, \n & 3.830408E-21, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IHCHO_R_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 2.360363E-20, 2.619580E-20, 1.264450E-20, 2.110757E-20, \n & 3.830408E-21, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IHCHO_R_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 2.360363E-20, 2.619580E-20, 1.264450E-20, 2.110757E-20, \n & 3.830408E-21, 0.000000E+00, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IHCHO_R_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 7.537656E-01, 7.794024E-01, 7.739203E-01, 6.831840E-01, \n & 2.761312E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IHCHO_R_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 7.537656E-01, 7.794024E-01, 7.739203E-01, 6.831840E-01, \n & 2.761312E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IHCHO_R_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 7.537656E-01, 7.794024E-01, 7.739203E-01, 6.831840E-01, \n & 2.761312E-01, 0.000000E+00, 0.000000E+00 /\n\n\nC...HCHO_M_SAPRC99\nC.. HCHO + HV = H2 + CO\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IHCHO_M_SAPRC99 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IHCHO_M_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.131429E-20, 3.361011E-20, 1.633825E-20, 3.089588E-20, \n & 1.653456E-20, 7.220900E-22, 0.000000E+00 /\n DATA ( CS_REF( IHCHO_M_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 3.131429E-20, 3.361011E-20, 1.633825E-20, 3.089588E-20, \n & 1.653456E-20, 7.220900E-22, 0.000000E+00 /\n DATA ( CS_REF( IHCHO_M_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 3.131429E-20, 3.361011E-20, 1.633825E-20, 3.089588E-20, \n & 1.653456E-20, 7.220900E-22, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IHCHO_M_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.261845E-01, 2.137267E-01, 2.298757E-01, 3.233053E-01, \n & 5.541007E-01, 2.985801E-02, 0.000000E+00 /\n DATA ( QY_REF( IHCHO_M_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 2.261845E-01, 2.137267E-01, 2.298757E-01, 3.233053E-01, \n & 5.541007E-01, 2.985801E-02, 0.000000E+00 /\n DATA ( QY_REF( IHCHO_M_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 2.261845E-01, 2.137267E-01, 2.298757E-01, 3.233053E-01, \n & 5.541007E-01, 2.985801E-02, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IHCHO_M_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 7.068908E-21, 7.200789E-21, 3.679953E-21, 9.787576E-21, \n & 9.269445E-21, 1.144538E-22, 0.000000E+00 /\n DATA ( ECS_REF( IHCHO_M_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 7.068908E-21, 7.200789E-21, 3.679953E-21, 9.787576E-21, \n & 9.269445E-21, 1.144538E-22, 0.000000E+00 /\n DATA ( ECS_REF( IHCHO_M_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 7.068908E-21, 7.200789E-21, 3.679953E-21, 9.787576E-21, \n & 9.269445E-21, 1.144538E-22, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IHCHO_M_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.257407E-01, 2.142447E-01, 2.252355E-01, 3.167923E-01, \n & 5.606101E-01, 1.585035E-01, 0.000000E+00 /\n DATA ( EQY_REF( IHCHO_M_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 2.257407E-01, 2.142447E-01, 2.252355E-01, 3.167923E-01, \n & 5.606101E-01, 1.585035E-01, 0.000000E+00 /\n DATA ( EQY_REF( IHCHO_M_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 2.257407E-01, 2.142447E-01, 2.252355E-01, 3.167923E-01, \n & 5.606101E-01, 1.585035E-01, 0.000000E+00 /\n\n\nC...CCHO_R_SAPRC99\nC.. CCHO + HV = CH3 + CHO\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, ICCHO_R_SAPRC99 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( ICCHO_R_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.432586E-20, 3.717937E-20, 2.933103E-20, 2.104728E-20, \n & 3.715596E-21, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( ICCHO_R_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.432586E-20, 3.717937E-20, 2.933103E-20, 2.104728E-20, \n & 3.715596E-21, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( ICCHO_R_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.432586E-20, 3.717937E-20, 2.933103E-20, 2.104728E-20, \n & 3.715596E-21, 0.000000E+00, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( ICCHO_R_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.839485E-01, 3.902037E-01, 2.845214E-01, 1.538485E-01, \n & 1.409402E-02, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( ICCHO_R_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.839485E-01, 3.902037E-01, 2.845214E-01, 1.538485E-01, \n & 1.409402E-02, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( ICCHO_R_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.839485E-01, 3.902037E-01, 2.845214E-01, 1.538485E-01, \n & 1.409402E-02, 0.000000E+00, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( ICCHO_R_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.147745E-20, 1.461038E-20, 8.426962E-21, 3.330092E-21, \n & 1.731218E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( ICCHO_R_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 2.147745E-20, 1.461038E-20, 8.426962E-21, 3.330092E-21, \n & 1.731218E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( ICCHO_R_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 2.147745E-20, 1.461038E-20, 8.426962E-21, 3.330092E-21, \n & 1.731218E-22, 0.000000E+00, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( ICCHO_R_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.845355E-01, 3.929700E-01, 2.873054E-01, 1.582196E-01, \n & 4.659327E-02, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( ICCHO_R_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.845355E-01, 3.929700E-01, 2.873054E-01, 1.582196E-01, \n & 4.659327E-02, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( ICCHO_R_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.845355E-01, 3.929700E-01, 2.873054E-01, 1.582196E-01, \n & 4.659327E-02, 0.000000E+00, 0.000000E+00 /\n\n\nC...C2CHO_SAPRC99\nC.. C2CHO + HV = C2H5. + CHO.\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IC2CHO_SAPRC99 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IC2CHO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.113497E-20, 4.634689E-20, 3.579653E-20, 2.441742E-20, \n & 5.808827E-21, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IC2CHO_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 3.113497E-20, 4.634689E-20, 3.579653E-20, 2.441742E-20, \n & 5.808827E-21, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IC2CHO_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 3.113497E-20, 4.634689E-20, 3.579653E-20, 2.441742E-20, \n & 5.808827E-21, 0.000000E+00, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IC2CHO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.112442E-01, 7.954021E-01, 5.951666E-01, 4.312297E-01, \n & 1.520064E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IC2CHO_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 5.112442E-01, 7.954021E-01, 5.951666E-01, 4.312297E-01, \n & 1.520064E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IC2CHO_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 5.112442E-01, 7.954021E-01, 5.951666E-01, 4.312297E-01, \n & 1.520064E-01, 0.000000E+00, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IC2CHO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.730256E-20, 3.713801E-20, 2.133677E-20, 1.077360E-20, \n & 1.383933E-21, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IC2CHO_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 2.730256E-20, 3.713801E-20, 2.133677E-20, 1.077360E-20, \n & 1.383933E-21, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IC2CHO_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 2.730256E-20, 3.713801E-20, 2.133677E-20, 1.077360E-20, \n & 1.383933E-21, 0.000000E+00, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IC2CHO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.769099E-01, 8.013052E-01, 5.960570E-01, 4.412259E-01, \n & 2.382466E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IC2CHO_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 8.769099E-01, 8.013052E-01, 5.960570E-01, 4.412259E-01, \n & 2.382466E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IC2CHO_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 8.769099E-01, 8.013052E-01, 5.960570E-01, 4.412259E-01, \n & 2.382466E-01, 0.000000E+00, 0.000000E+00 /\n\n\nC...ACETONE_SAPRC99\nC.. ACETONE + HV = CH3CO. + CH3.\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IACETONE_SAPRC99 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IACETONE_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.565269E-20, 2.347503E-20, 1.411211E-20, 7.530059E-21, \n & 8.363643E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IACETONE_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 3.565269E-20, 2.347503E-20, 1.411211E-20, 7.530059E-21, \n & 8.363643E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IACETONE_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 3.565269E-20, 2.347503E-20, 1.411211E-20, 7.530059E-21, \n & 8.363643E-22, 0.000000E+00, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IACETONE_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.242420E-01, 1.142595E-01, 5.803515E-02, 2.870061E-02, \n & 4.434764E-03, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IACETONE_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 2.242420E-01, 1.142595E-01, 5.803515E-02, 2.870061E-02, \n & 4.434764E-03, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IACETONE_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 2.242420E-01, 1.142595E-01, 5.803515E-02, 2.870061E-02, \n & 4.434764E-03, 0.000000E+00, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IACETONE_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.097962E-21, 2.778257E-21, 8.357552E-22, 2.321761E-22, \n & 8.431038E-24, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IACETONE_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 8.097962E-21, 2.778257E-21, 8.357552E-22, 2.321761E-22, \n & 8.431038E-24, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IACETONE_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 8.097962E-21, 2.778257E-21, 8.357552E-22, 2.321761E-22, \n & 8.431038E-24, 0.000000E+00, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IACETONE_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.271347E-01, 1.183495E-01, 5.922253E-02, 3.083324E-02, \n & 1.008058E-02, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IACETONE_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 2.271347E-01, 1.183495E-01, 5.922253E-02, 3.083324E-02, \n & 1.008058E-02, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IACETONE_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 2.271347E-01, 1.183495E-01, 5.922253E-02, 3.083324E-02, \n & 1.008058E-02, 0.000000E+00, 0.000000E+00 /\n\n\nC...KETONE_SAPRC99\nC.. Methyl Ethyl Ketone Absorption Cross Sections\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IKETONE_SAPRC99 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IKETONE_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.255141E-20, 2.715762E-20, 1.567299E-20, 7.669451E-21, \n & 7.479082E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IKETONE_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.255141E-20, 2.715762E-20, 1.567299E-20, 7.669451E-21, \n & 7.479082E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IKETONE_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.255141E-20, 2.715762E-20, 1.567299E-20, 7.669451E-21, \n & 7.479082E-22, 0.000000E+00, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IKETONE_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.169248E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IKETONE_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.169248E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IKETONE_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.169248E-01, 0.000000E+00, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IKETONE_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.255141E-20, 2.715762E-20, 1.567299E-20, 7.669451E-21, \n & 7.479075E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IKETONE_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.255141E-20, 2.715762E-20, 1.567299E-20, 7.669451E-21, \n & 7.479075E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IKETONE_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.255141E-20, 2.715762E-20, 1.567299E-20, 7.669451E-21, \n & 7.479075E-22, 0.000000E+00, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IKETONE_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.999990E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IKETONE_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.999990E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IKETONE_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.999990E-01, 0.000000E+00, 0.000000E+00 /\n\n\nC...COOH_SAPRC99\nC.. CH3OOH + HV = PRODUCTS\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, ICOOH_SAPRC99 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( ICOOH_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.623467E-21, 3.524633E-21, 2.410330E-21, 1.699588E-21, \n & 7.230005E-22, 5.395097E-23, 0.000000E+00 /\n DATA ( CS_REF( ICOOH_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 5.623467E-21, 3.524633E-21, 2.410330E-21, 1.699588E-21, \n & 7.230005E-22, 5.395097E-23, 0.000000E+00 /\n DATA ( CS_REF( ICOOH_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 5.623467E-21, 3.524633E-21, 2.410330E-21, 1.699588E-21, \n & 7.230005E-22, 5.395097E-23, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( ICOOH_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 3.016710E-01, 0.000000E+00 /\n DATA ( QY_REF( ICOOH_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 3.016710E-01, 0.000000E+00 /\n DATA ( QY_REF( ICOOH_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 3.016710E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( ICOOH_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.623467E-21, 3.524633E-21, 2.410330E-21, 1.699588E-21, \n & 7.230005E-22, 5.395090E-23, 0.000000E+00 /\n DATA ( ECS_REF( ICOOH_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 5.623467E-21, 3.524633E-21, 2.410330E-21, 1.699588E-21, \n & 7.230005E-22, 5.395090E-23, 0.000000E+00 /\n DATA ( ECS_REF( ICOOH_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 5.623467E-21, 3.524633E-21, 2.410330E-21, 1.699588E-21, \n & 7.230005E-22, 5.395090E-23, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( ICOOH_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999989E-01, 0.000000E+00 /\n DATA ( EQY_REF( ICOOH_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999989E-01, 0.000000E+00 /\n DATA ( EQY_REF( ICOOH_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999989E-01, 0.000000E+00 /\n\n\nC...GLY_R_SAPRC99\nC.. Glyoxal + hv = 2 HCO\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IGLY_R_SAPRC99 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IGLY_R_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.307062E-20, 3.064663E-20, 2.759448E-20, 2.066155E-20, \n & 6.469823E-21, 2.034930E-20, 6.237997E-22 /\n DATA ( CS_REF( IGLY_R_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 3.307062E-20, 3.064663E-20, 2.759448E-20, 2.066155E-20, \n & 6.469823E-21, 2.034930E-20, 6.237997E-22 /\n DATA ( CS_REF( IGLY_R_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 3.307062E-20, 3.064663E-20, 2.759448E-20, 2.066155E-20, \n & 6.469823E-21, 2.034930E-20, 6.237997E-22 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IGLY_R_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 5.446526E-01, 0.000000E+00 /\n DATA ( QY_REF( IGLY_R_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 5.446526E-01, 0.000000E+00 /\n DATA ( QY_REF( IGLY_R_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 5.446526E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IGLY_R_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.307062E-20, 3.064663E-20, 2.759448E-20, 2.066155E-20, \n & 6.469823E-21, 4.361289E-21, 0.000000E+00 /\n DATA ( ECS_REF( IGLY_R_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 3.307062E-20, 3.064663E-20, 2.759448E-20, 2.066155E-20, \n & 6.469823E-21, 4.361289E-21, 0.000000E+00 /\n DATA ( ECS_REF( IGLY_R_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 3.307062E-20, 3.064663E-20, 2.759448E-20, 2.066155E-20, \n & 6.469823E-21, 4.361289E-21, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IGLY_R_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 2.143213E-01, 0.000000E+00 /\n DATA ( EQY_REF( IGLY_R_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 2.143213E-01, 0.000000E+00 /\n DATA ( EQY_REF( IGLY_R_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 2.143213E-01, 0.000000E+00 /\n\n\nC...GLY_ABS_SAPRC99\nC.. Glyoxal Absorption Cross Sections\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IGLY_ABS_SAPRC99 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IGLY_ABS_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.307062E-20, 3.064663E-20, 2.759448E-20, 2.066155E-20, \n & 6.469823E-21, 2.034930E-20, 7.746832E-21 /\n DATA ( CS_REF( IGLY_ABS_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 3.307062E-20, 3.064663E-20, 2.759448E-20, 2.066155E-20, \n & 6.469823E-21, 2.034930E-20, 7.746832E-21 /\n DATA ( CS_REF( IGLY_ABS_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 3.307062E-20, 3.064663E-20, 2.759448E-20, 2.066155E-20, \n & 6.469823E-21, 2.034930E-20, 7.746832E-21 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IGLY_ABS_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.534627E-02 /\n DATA ( QY_REF( IGLY_ABS_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.534627E-02 /\n DATA ( QY_REF( IGLY_ABS_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.534627E-02 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IGLY_ABS_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.307062E-20, 3.064663E-20, 2.759448E-20, 2.066155E-20, \n & 6.469823E-21, 2.034930E-20, 7.746832E-21 /\n DATA ( ECS_REF( IGLY_ABS_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 3.307062E-20, 3.064663E-20, 2.759448E-20, 2.066155E-20, \n & 6.469823E-21, 2.034930E-20, 7.746832E-21 /\n DATA ( ECS_REF( IGLY_ABS_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 3.307062E-20, 3.064663E-20, 2.759448E-20, 2.066155E-20, \n & 6.469823E-21, 2.034930E-20, 7.746832E-21 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IGLY_ABS_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.999999E-01 /\n DATA ( EQY_REF( IGLY_ABS_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.999999E-01 /\n DATA ( EQY_REF( IGLY_ABS_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.999999E-01 /\n\n\nC...MGLY_ADJ_SAPRC99\nC.. MGLY + HV = PRODUCTS\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IMGLY_ADJ_SAPRC99 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IMGLY_ADJ_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.414885E-20, 3.510064E-20, 2.364210E-20, 1.814704E-20, \n & 5.998223E-21, 3.697529E-20, 1.477388E-21 /\n DATA ( CS_REF( IMGLY_ADJ_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.414885E-20, 3.510064E-20, 2.364210E-20, 1.814704E-20, \n & 5.998223E-21, 3.697529E-20, 1.477388E-21 /\n DATA ( CS_REF( IMGLY_ADJ_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.414885E-20, 3.510064E-20, 2.364210E-20, 1.814704E-20, \n & 5.998223E-21, 3.697529E-20, 1.477388E-21 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IMGLY_ADJ_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.992942E-01, 3.801419E-01, 0.000000E+00 /\n DATA ( QY_REF( IMGLY_ADJ_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.992942E-01, 3.801419E-01, 0.000000E+00 /\n DATA ( QY_REF( IMGLY_ADJ_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.992942E-01, 3.801419E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IMGLY_ADJ_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.414885E-20, 3.510064E-20, 2.364210E-20, 1.814704E-20, \n & 5.996164E-21, 6.110804E-21, 0.000000E+00 /\n DATA ( ECS_REF( IMGLY_ADJ_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.414885E-20, 3.510064E-20, 2.364210E-20, 1.814704E-20, \n & 5.996164E-21, 6.110804E-21, 0.000000E+00 /\n DATA ( ECS_REF( IMGLY_ADJ_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.414885E-20, 3.510064E-20, 2.364210E-20, 1.814704E-20, \n & 5.996164E-21, 6.110804E-21, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IMGLY_ADJ_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.996566E-01, 1.652672E-01, 0.000000E+00 /\n DATA ( EQY_REF( IMGLY_ADJ_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.996566E-01, 1.652672E-01, 0.000000E+00 /\n DATA ( EQY_REF( IMGLY_ADJ_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.996566E-01, 1.652672E-01, 0.000000E+00 /\n\n\nC...BACL_ADJ_SAPRC99\nC.. BACL + HV = PRODUCTS\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IBACL_ADJ_SAPRC99 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IBACL_ADJ_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.617461E-20, 1.589011E-20, 9.041847E-21, 6.004408E-21, \n & 4.676505E-21, 3.224516E-20, 4.675102E-21 /\n DATA ( CS_REF( IBACL_ADJ_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 2.617461E-20, 1.589011E-20, 9.041847E-21, 6.004408E-21, \n & 4.676505E-21, 3.224516E-20, 4.675102E-21 /\n DATA ( CS_REF( IBACL_ADJ_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 2.617461E-20, 1.589011E-20, 9.041847E-21, 6.004408E-21, \n & 4.676505E-21, 3.224516E-20, 4.675102E-21 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IBACL_ADJ_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 5.303440E-01, 9.162429E-04 /\n DATA ( QY_REF( IBACL_ADJ_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 5.303440E-01, 9.162429E-04 /\n DATA ( QY_REF( IBACL_ADJ_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 5.303440E-01, 9.162429E-04 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IBACL_ADJ_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.617461E-20, 1.589011E-20, 9.041847E-21, 6.004408E-21, \n & 4.676505E-21, 1.215315E-20, 6.213299E-23 /\n DATA ( ECS_REF( IBACL_ADJ_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 2.617461E-20, 1.589011E-20, 9.041847E-21, 6.004408E-21, \n & 4.676505E-21, 1.215315E-20, 6.213299E-23 /\n DATA ( ECS_REF( IBACL_ADJ_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 2.617461E-20, 1.589011E-20, 9.041847E-21, 6.004408E-21, \n & 4.676505E-21, 1.215315E-20, 6.213299E-23 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IBACL_ADJ_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 3.768983E-01, 1.329019E-02 /\n DATA ( EQY_REF( IBACL_ADJ_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 3.768983E-01, 1.329019E-02 /\n DATA ( EQY_REF( IBACL_ADJ_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 3.768983E-01, 1.329019E-02 /\n\n\nC...BZCHO_SAPRC99\nC.. Benzaldehyde absorbtion coefs in n-Hexane\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IBZCHO_SAPRC99 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IBZCHO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 9.271376E-20, 6.609039E-20, 6.730973E-20, \n & 8.248212E-20, 2.821757E-20, 0.000000E+00 /\n DATA ( CS_REF( IBZCHO_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 9.271376E-20, 6.609039E-20, 6.730973E-20, \n & 8.248212E-20, 2.821757E-20, 0.000000E+00 /\n DATA ( CS_REF( IBZCHO_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 9.271376E-20, 6.609039E-20, 6.730973E-20, \n & 8.248212E-20, 2.821757E-20, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IBZCHO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 9.366284E-01, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 5.153002E-01, 0.000000E+00 /\n DATA ( QY_REF( IBZCHO_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 9.366284E-01, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 5.153002E-01, 0.000000E+00 /\n DATA ( QY_REF( IBZCHO_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 9.366284E-01, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 5.153002E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IBZCHO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 9.247760E-20, 6.609039E-20, 6.730973E-20, \n & 8.248212E-20, 2.821757E-20, 0.000000E+00 /\n DATA ( ECS_REF( IBZCHO_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 9.247760E-20, 6.609039E-20, 6.730973E-20, \n & 8.248212E-20, 2.821757E-20, 0.000000E+00 /\n DATA ( ECS_REF( IBZCHO_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 9.247760E-20, 6.609039E-20, 6.730973E-20, \n & 8.248212E-20, 2.821757E-20, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IBZCHO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 9.974529E-01, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999998E-01, 0.000000E+00 /\n DATA ( EQY_REF( IBZCHO_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 9.974529E-01, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999998E-01, 0.000000E+00 /\n DATA ( EQY_REF( IBZCHO_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 9.974529E-01, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999998E-01, 0.000000E+00 /\n\n\nC...ACROLEIN_SAPRC99\nC.. Absorption cross sections for Acrolein.\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IACROLEIN_SAPRC99 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IACROLEIN_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.119555E-20, 3.145168E-20, 4.081558E-20, 4.837755E-20, \n & 5.750342E-20, 1.189679E-20, 0.000000E+00 /\n DATA ( CS_REF( IACROLEIN_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 2.119555E-20, 3.145168E-20, 4.081558E-20, 4.837755E-20, \n & 5.750342E-20, 1.189679E-20, 0.000000E+00 /\n DATA ( CS_REF( IACROLEIN_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 2.119555E-20, 3.145168E-20, 4.081558E-20, 4.837755E-20, \n & 5.750342E-20, 1.189679E-20, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IACROLEIN_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 4.565694E-01, 0.000000E+00 /\n DATA ( QY_REF( IACROLEIN_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 4.565694E-01, 0.000000E+00 /\n DATA ( QY_REF( IACROLEIN_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 4.565694E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IACROLEIN_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.119555E-20, 3.145168E-20, 4.081558E-20, 4.837755E-20, \n & 5.750342E-20, 1.189679E-20, 0.000000E+00 /\n DATA ( ECS_REF( IACROLEIN_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 2.119555E-20, 3.145168E-20, 4.081558E-20, 4.837755E-20, \n & 5.750342E-20, 1.189679E-20, 0.000000E+00 /\n DATA ( ECS_REF( IACROLEIN_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 2.119555E-20, 3.145168E-20, 4.081558E-20, 4.837755E-20, \n & 5.750342E-20, 1.189679E-20, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IACROLEIN_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IACROLEIN_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IACROLEIN_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 0.000000E+00 /\n\n\nC...IC3ONO2_SAPRC99\nC.. I-C3H7ONO2 + HV = PRODUCTS\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IIC3ONO2_SAPRC99 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IIC3ONO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.255484E-20, 6.352138E-21, 3.286576E-21, 1.709805E-21, \n & 2.667180E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IIC3ONO2_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.255484E-20, 6.352138E-21, 3.286576E-21, 1.709805E-21, \n & 2.667180E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IIC3ONO2_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.255484E-20, 6.352138E-21, 3.286576E-21, 1.709805E-21, \n & 2.667180E-22, 0.000000E+00, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IIC3ONO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 5.754197E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IIC3ONO2_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 5.754197E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IIC3ONO2_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 5.754197E-01, 0.000000E+00, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IIC3ONO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.255484E-20, 6.352138E-21, 3.286576E-21, 1.709805E-21, \n & 2.667175E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IIC3ONO2_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.255484E-20, 6.352138E-21, 3.286576E-21, 1.709805E-21, \n & 2.667175E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IIC3ONO2_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.255484E-20, 6.352138E-21, 3.286576E-21, 1.709805E-21, \n & 2.667175E-22, 0.000000E+00, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IIC3ONO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.999982E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IIC3ONO2_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.999982E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IIC3ONO2_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.999982E-01, 0.000000E+00, 0.000000E+00 /\n\n\nC...MGLY_ABS_SAPRC99\nC.. Methyl Glyoxal Absorption Cross Sections\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IMGLY_ABS_SAPRC99 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IMGLY_ABS_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.414885E-20, 3.510064E-20, 2.364210E-20, 1.814704E-20, \n & 5.998223E-21, 3.697529E-20, 7.930063E-21 /\n DATA ( CS_REF( IMGLY_ABS_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.414885E-20, 3.510064E-20, 2.364210E-20, 1.814704E-20, \n & 5.998223E-21, 3.697529E-20, 7.930063E-21 /\n DATA ( CS_REF( IMGLY_ABS_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.414885E-20, 3.510064E-20, 2.364210E-20, 1.814704E-20, \n & 5.998223E-21, 3.697529E-20, 7.930063E-21 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IMGLY_ABS_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.689096E-01 /\n DATA ( QY_REF( IMGLY_ABS_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.689096E-01 /\n DATA ( QY_REF( IMGLY_ABS_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.689096E-01 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IMGLY_ABS_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.414885E-20, 3.510064E-20, 2.364210E-20, 1.814704E-20, \n & 5.998223E-21, 3.697529E-20, 7.930063E-21 /\n DATA ( ECS_REF( IMGLY_ABS_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.414885E-20, 3.510064E-20, 2.364210E-20, 1.814704E-20, \n & 5.998223E-21, 3.697529E-20, 7.930063E-21 /\n DATA ( ECS_REF( IMGLY_ABS_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.414885E-20, 3.510064E-20, 2.364210E-20, 1.814704E-20, \n & 5.998223E-21, 3.697529E-20, 7.930063E-21 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IMGLY_ABS_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.000000E+00 /\n DATA ( EQY_REF( IMGLY_ABS_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.000000E+00 /\n DATA ( EQY_REF( IMGLY_ABS_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.000000E+00 /\n\n\nC...O3_O3P_IUPAC04\nC.. O3 + HV = O(3P) + O2\nC.. From IUPAC Subcommittee on Gas Kinetic Data Evaluation\nC.. Data Sheet POx2, updated 2nd October 2001\nC.. Website: http://www.iupac-kinetic.ch.cam.ac.uk/\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IO3_O3P_IUPAC04 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IO3_O3P_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.237372E-19, 2.618435E-19, 1.031278E-19, 4.160843E-20, \n & 6.126474E-21, 4.250346E-23, 1.550664E-21 /\n DATA ( CS_REF( IO3_O3P_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 8.237372E-19, 2.618435E-19, 1.031278E-19, 4.160843E-20, \n & 6.126474E-21, 4.250346E-23, 1.550664E-21 /\n DATA ( CS_REF( IO3_O3P_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 8.237372E-19, 2.618435E-19, 1.031278E-19, 4.160843E-20, \n & 6.126474E-21, 4.250346E-23, 1.550664E-21 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IO3_O3P_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E-01, 1.070934E-01, 4.640103E-01, 7.781818E-01, \n & 9.134412E-01, 9.634615E-01, 6.920660E-01 /\n DATA ( QY_REF( IO3_O3P_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E-01, 1.070934E-01, 4.640103E-01, 7.781818E-01, \n & 9.134412E-01, 9.634615E-01, 6.920660E-01 /\n DATA ( QY_REF( IO3_O3P_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E-01, 1.070934E-01, 4.640103E-01, 7.781818E-01, \n & 9.134412E-01, 9.634615E-01, 6.920660E-01 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IO3_O3P_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.237372E-20, 2.744881E-20, 4.605711E-20, 3.200195E-20, \n & 5.504558E-21, 3.927088E-23, 1.550664E-21 /\n DATA ( ECS_REF( IO3_O3P_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 8.237372E-20, 2.744881E-20, 4.605711E-20, 3.200195E-20, \n & 5.504558E-21, 3.927088E-23, 1.550664E-21 /\n DATA ( ECS_REF( IO3_O3P_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 8.237372E-20, 2.744881E-20, 4.605711E-20, 3.200195E-20, \n & 5.504558E-21, 3.927088E-23, 1.550664E-21 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IO3_O3P_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E-01, 1.048291E-01, 4.466023E-01, 7.691218E-01, \n & 8.984872E-01, 9.239455E-01, 1.000000E+00 /\n DATA ( EQY_REF( IO3_O3P_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E-01, 1.048291E-01, 4.466023E-01, 7.691218E-01, \n & 8.984872E-01, 9.239455E-01, 1.000000E+00 /\n DATA ( EQY_REF( IO3_O3P_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E-01, 1.048291E-01, 4.466023E-01, 7.691218E-01, \n & 8.984872E-01, 9.239455E-01, 1.000000E+00 /\n\n\nC...O3_O1D_IUPAC04\nC.. O3 + HV = O(1D) + O2\nC.. From IUPAC Subcommittee on Gas Kinetic Data Evaluation\nC.. Data Sheet POx2, updated 2nd October 2001\nC.. Website: http://www.iupac-kinetic.ch.cam.ac.uk/\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IO3_O1D_IUPAC04 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IO3_O1D_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.237372E-19, 2.618435E-19, 1.031278E-19, 4.160843E-20, \n & 6.126474E-21, 4.040726E-23, 0.000000E+00 /\n DATA ( CS_REF( IO3_O1D_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 8.237372E-19, 2.618435E-19, 1.031278E-19, 4.160843E-20, \n & 6.126474E-21, 4.040726E-23, 0.000000E+00 /\n DATA ( CS_REF( IO3_O1D_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 8.237372E-19, 2.618435E-19, 1.031278E-19, 4.160843E-20, \n & 6.126474E-21, 4.040726E-23, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IO3_O1D_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.000000E-01, 8.929066E-01, 5.359897E-01, 2.218182E-01, \n & 8.655884E-02, 1.629167E-02, 0.000000E+00 /\n DATA ( QY_REF( IO3_O1D_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 9.000000E-01, 8.929066E-01, 5.359897E-01, 2.218182E-01, \n & 8.655884E-02, 1.629167E-02, 0.000000E+00 /\n DATA ( QY_REF( IO3_O1D_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 9.000000E-01, 8.929066E-01, 5.359897E-01, 2.218182E-01, \n & 8.655884E-02, 1.629167E-02, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IO3_O1D_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 7.413634E-19, 2.343947E-19, 5.707068E-20, 9.606477E-21, \n & 6.219156E-22, 3.232572E-24, 0.000000E+00 /\n DATA ( ECS_REF( IO3_O1D_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 7.413634E-19, 2.343947E-19, 5.707068E-20, 9.606477E-21, \n & 6.219156E-22, 3.232572E-24, 0.000000E+00 /\n DATA ( ECS_REF( IO3_O1D_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 7.413634E-19, 2.343947E-19, 5.707068E-20, 9.606477E-21, \n & 6.219156E-22, 3.232572E-24, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IO3_O1D_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.000000E-01, 8.951709E-01, 5.533977E-01, 2.308782E-01, \n & 1.015128E-01, 7.999979E-02, 0.000000E+00 /\n DATA ( EQY_REF( IO3_O1D_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 9.000000E-01, 8.951709E-01, 5.533977E-01, 2.308782E-01, \n & 1.015128E-01, 7.999979E-02, 0.000000E+00 /\n DATA ( EQY_REF( IO3_O1D_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 9.000000E-01, 8.951709E-01, 5.533977E-01, 2.308782E-01, \n & 1.015128E-01, 7.999979E-02, 0.000000E+00 /\n\n\nC...HONO_IUPAC04\nC.. HONO + HV = HO + NO\nC.. From IUPAC Subcommittee on Gas Kinetic Data Evaluation\nC.. Data Sheet PNOx1_HONO, updated 16th July 2001\nC.. Website: http://www.iupac-kinetic.ch.cam.ac.uk/\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IHONO_IUPAC04 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IHONO_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 4.780336E-21, 1.602461E-20, 3.132021E-20, \n & 9.264939E-20, 7.356084E-20, 0.000000E+00 /\n DATA ( CS_REF( IHONO_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 4.780336E-21, 1.602461E-20, 3.132021E-20, \n & 9.264939E-20, 7.356084E-20, 0.000000E+00 /\n DATA ( CS_REF( IHONO_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 4.780336E-21, 1.602461E-20, 3.132021E-20, \n & 9.264939E-20, 7.356084E-20, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IHONO_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 8.334302E-01, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 7.181830E-01, 0.000000E+00 /\n DATA ( QY_REF( IHONO_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 8.334302E-01, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 7.181830E-01, 0.000000E+00 /\n DATA ( QY_REF( IHONO_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 8.334302E-01, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 7.181830E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IHONO_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 4.780317E-21, 1.602461E-20, 3.132021E-20, \n & 9.264939E-20, 7.356084E-20, 0.000000E+00 /\n DATA ( ECS_REF( IHONO_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 4.780317E-21, 1.602461E-20, 3.132021E-20, \n & 9.264939E-20, 7.356084E-20, 0.000000E+00 /\n DATA ( ECS_REF( IHONO_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 4.780317E-21, 1.602461E-20, 3.132021E-20, \n & 9.264939E-20, 7.356084E-20, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IHONO_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 9.999960E-01, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999999E-01, 0.000000E+00 /\n DATA ( EQY_REF( IHONO_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 9.999960E-01, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999999E-01, 0.000000E+00 /\n DATA ( EQY_REF( IHONO_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 9.999960E-01, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999999E-01, 0.000000E+00 /\n\n\nC...HO2NO2_IUPAC04\nC.. HOONO2 + HV = products\nC.. From IUPAC Subcommittee on Gas Kinetic Data Evaluation\nC.. Data Sheet PNOx3_HO2NO2, updated 16th July 2001\nC.. Website: http://www.iupac-kinetic.ch.cam.ac.uk/\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IHO2NO2_IUPAC04 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IHO2NO2_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.591178E-20, 1.079991E-20, 5.527937E-21, 3.457473E-21, \n & 6.327396E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IHO2NO2_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 2.591178E-20, 1.079991E-20, 5.527937E-21, 3.457473E-21, \n & 6.327396E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IHO2NO2_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 2.591178E-20, 1.079991E-20, 5.527937E-21, 3.457473E-21, \n & 6.327396E-22, 0.000000E+00, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IHO2NO2_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 5.754197E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IHO2NO2_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 5.754197E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IHO2NO2_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 5.754197E-01, 0.000000E+00, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IHO2NO2_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.591178E-20, 1.079991E-20, 5.527937E-21, 3.457473E-21, \n & 6.327384E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IHO2NO2_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 2.591178E-20, 1.079991E-20, 5.527937E-21, 3.457473E-21, \n & 6.327384E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IHO2NO2_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 2.591178E-20, 1.079991E-20, 5.527937E-21, 3.457473E-21, \n & 6.327384E-22, 0.000000E+00, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IHO2NO2_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.999982E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IHO2NO2_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.999982E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IHO2NO2_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.999982E-01, 0.000000E+00, 0.000000E+00 /\n\n\nC...HNO3_IUPAC04\nC.. HONO2 + HV = OH + NO2\nC.. From IUPAC Subcommittee on Gas Kinetic Data Evaluation\nC.. Data Sheet PNOx2_HONO2, updated 16th July 2001\nC.. Website: http://www.iupac-kinetic.ch.cam.ac.uk/\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IHNO3_IUPAC04 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IHNO3_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.358850E-21, 1.954554E-21, 8.462462E-22, 3.649777E-22, \n & 4.770195E-23, 3.875268E-25, 0.000000E+00 /\n DATA ( CS_REF( IHNO3_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.358850E-21, 1.954554E-21, 8.462462E-22, 3.649777E-22, \n & 4.770195E-23, 3.875268E-25, 0.000000E+00 /\n DATA ( CS_REF( IHNO3_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.358850E-21, 1.954554E-21, 8.462462E-22, 3.649777E-22, \n & 4.770195E-23, 3.875268E-25, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IHNO3_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.142428E-01, 0.000000E+00 /\n DATA ( QY_REF( IHNO3_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.142428E-01, 0.000000E+00 /\n DATA ( QY_REF( IHNO3_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.142428E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IHNO3_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.358850E-21, 1.954554E-21, 8.462462E-22, 3.649777E-22, \n & 4.770195E-23, 3.875251E-25, 0.000000E+00 /\n DATA ( ECS_REF( IHNO3_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.358850E-21, 1.954554E-21, 8.462462E-22, 3.649777E-22, \n & 4.770195E-23, 3.875251E-25, 0.000000E+00 /\n DATA ( ECS_REF( IHNO3_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.358850E-21, 1.954554E-21, 8.462462E-22, 3.649777E-22, \n & 4.770195E-23, 3.875251E-25, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IHNO3_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999956E-01, 0.000000E+00 /\n DATA ( EQY_REF( IHNO3_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999956E-01, 0.000000E+00 /\n DATA ( EQY_REF( IHNO3_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999956E-01, 0.000000E+00 /\n\n\nC...N2O5_IUPAC04\nC.. N2O5 + HV = NO2 + NO3\nC.. From IUPAC Subcommittee on Gas Kinetic Data Evaluation\nC.. Data Sheet PNOx7_N2O5, updated 16th July 2001\nC.. Website: http://www.iupac-kinetic.ch.cam.ac.uk/\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IN2O5_IUPAC04 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IN2O5_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.288713E-20, 3.284367E-20, 2.192960E-20, 1.512786E-20, \n & 6.068436E-21, 6.195746E-22, 9.184480E-26 /\n DATA ( CS_REF( IN2O5_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 5.288713E-20, 3.284367E-20, 2.192960E-20, 1.512786E-20, \n & 6.068436E-21, 6.195746E-22, 9.184480E-26 /\n DATA ( CS_REF( IN2O5_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 5.288713E-20, 3.284367E-20, 2.192960E-20, 1.512786E-20, \n & 6.068436E-21, 6.195746E-22, 9.184480E-26 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IN2O5_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.222279E-01, 9.980624E-01, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 4.477524E-03 /\n DATA ( QY_REF( IN2O5_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 9.222279E-01, 9.980624E-01, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 4.477524E-03 /\n DATA ( QY_REF( IN2O5_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 9.222279E-01, 9.980624E-01, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 4.477524E-03 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IN2O5_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.857824E-20, 3.276333E-20, 2.192960E-20, 1.512786E-20, \n & 6.068436E-21, 6.195746E-22, 9.184020E-26 /\n DATA ( ECS_REF( IN2O5_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.857824E-20, 3.276333E-20, 2.192960E-20, 1.512786E-20, \n & 6.068436E-21, 6.195746E-22, 9.184020E-26 /\n DATA ( ECS_REF( IN2O5_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.857824E-20, 3.276333E-20, 2.192960E-20, 1.512786E-20, \n & 6.068436E-21, 6.195746E-22, 9.184020E-26 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IN2O5_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.185266E-01, 9.975538E-01, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.999499E-01 /\n DATA ( EQY_REF( IN2O5_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 9.185266E-01, 9.975538E-01, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.999499E-01 /\n DATA ( EQY_REF( IN2O5_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 9.185266E-01, 9.975538E-01, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.999499E-01 /\n\n\nC...NTR_IUPAC04\nC.. i-C3H7ONO2 + HV = iC3H7O + NO2\nC.. From IUPAC Subcommittee on Gas Kinetic Data Evaluation\nC.. Data Sheet P17_i-C3H7ONO2+hv, updated 16th July 2001\nC.. Website: http://www.iupac-kinetic.ch.cam.ac.uk/\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, INTR_IUPAC04 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( INTR_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.228679E-20, 6.112254E-21, 3.012601E-21, 1.483079E-21, \n & 2.223491E-22, 1.206802E-24, 0.000000E+00 /\n DATA ( CS_REF( INTR_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.228679E-20, 6.112254E-21, 3.012601E-21, 1.483079E-21, \n & 2.223491E-22, 1.206802E-24, 0.000000E+00 /\n DATA ( CS_REF( INTR_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.228679E-20, 6.112254E-21, 3.012601E-21, 1.483079E-21, \n & 2.223491E-22, 1.206802E-24, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( INTR_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 2.282282E-01, 0.000000E+00 /\n DATA ( QY_REF( INTR_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 2.282282E-01, 0.000000E+00 /\n DATA ( QY_REF( INTR_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 2.282282E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( INTR_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.228679E-20, 6.112254E-21, 3.012601E-21, 1.483079E-21, \n & 2.223491E-22, 1.206801E-24, 0.000000E+00 /\n DATA ( ECS_REF( INTR_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.228679E-20, 6.112254E-21, 3.012601E-21, 1.483079E-21, \n & 2.223491E-22, 1.206801E-24, 0.000000E+00 /\n DATA ( ECS_REF( INTR_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.228679E-20, 6.112254E-21, 3.012601E-21, 1.483079E-21, \n & 2.223491E-22, 1.206801E-24, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( INTR_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999995E-01, 0.000000E+00 /\n DATA ( EQY_REF( INTR_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999995E-01, 0.000000E+00 /\n DATA ( EQY_REF( INTR_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999995E-01, 0.000000E+00 /\n\n\nC...PAN_IUPAC04\nC.. CH3C(O)OONO2 + HV = CH3C(O)OO + NO2\nC.. From IUPAC Subcommittee on Gas Kinetic Data Evaluation\nC.. Data Sheet P21_CH3C(O)OONO2+hv, updated 16th July 2001\nC.. Website: http://www.iupac-kinetic.ch.cam.ac.uk/\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IPAN_IUPAC04 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IPAN_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.530296E-21, 1.417990E-21, 6.732224E-22, 3.640893E-22, \n & 9.143990E-23, 1.308070E-24, 0.000000E+00 /\n DATA ( CS_REF( IPAN_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 3.530296E-21, 1.417990E-21, 6.732224E-22, 3.640893E-22, \n & 9.143990E-23, 1.308070E-24, 0.000000E+00 /\n DATA ( CS_REF( IPAN_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 3.530296E-21, 1.417990E-21, 6.732224E-22, 3.640893E-22, \n & 9.143990E-23, 1.308070E-24, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IPAN_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 6.613498E-02, 0.000000E+00 /\n DATA ( QY_REF( IPAN_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 6.613498E-02, 0.000000E+00 /\n DATA ( QY_REF( IPAN_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 6.613498E-02, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IPAN_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.530296E-21, 1.417990E-21, 6.732224E-22, 3.640893E-22, \n & 9.143990E-23, 1.308038E-24, 0.000000E+00 /\n DATA ( ECS_REF( IPAN_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 3.530296E-21, 1.417990E-21, 6.732224E-22, 3.640893E-22, \n & 9.143990E-23, 1.308038E-24, 0.000000E+00 /\n DATA ( ECS_REF( IPAN_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 3.530296E-21, 1.417990E-21, 6.732224E-22, 3.640893E-22, \n & 9.143990E-23, 1.308038E-24, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IPAN_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999756E-01, 0.000000E+00 /\n DATA ( EQY_REF( IPAN_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999756E-01, 0.000000E+00 /\n DATA ( EQY_REF( IPAN_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999756E-01, 0.000000E+00 /\n\n\nC...PACD_CB05\nC.. PACD + HV = MEO2 + OH\nC.. CB05 Photolysis data for PACD\nC.. Supplied by Greg Yarwood, 11/16/2007\nC.. Ref: Gigure, P. A. and A. W. Olmos. Sur le spectre ultraviolet de l'acide peractique et l'hydrolyse des peractates.\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IPACD_CB05 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IPACD_CB05, 1, IWLR ), IWLR = 1, 7 ) /\n & 7.759271E-22, 4.128908E-22, 2.430012E-22, 1.524872E-22, \n & 2.678565E-23, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IPACD_CB05, 2, IWLR ), IWLR = 1, 7 ) /\n & 7.759271E-22, 4.128908E-22, 2.430012E-22, 1.524872E-22, \n & 2.678565E-23, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IPACD_CB05, 3, IWLR ), IWLR = 1, 7 ) /\n & 7.759271E-22, 4.128908E-22, 2.430012E-22, 1.524872E-22, \n & 2.678565E-23, 0.000000E+00, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IPACD_CB05, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 3.584636E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IPACD_CB05, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 3.584636E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IPACD_CB05, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 3.584636E-01, 0.000000E+00, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IPACD_CB05, 1, IWLR ), IWLR = 1, 7 ) /\n & 7.759271E-22, 4.128908E-22, 2.430012E-22, 1.524872E-22, \n & 2.675539E-23, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IPACD_CB05, 2, IWLR ), IWLR = 1, 7 ) /\n & 7.759271E-22, 4.128908E-22, 2.430012E-22, 1.524872E-22, \n & 2.675539E-23, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IPACD_CB05, 3, IWLR ), IWLR = 1, 7 ) /\n & 7.759271E-22, 4.128908E-22, 2.430012E-22, 1.524872E-22, \n & 2.675539E-23, 0.000000E+00, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IPACD_CB05, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.988704E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IPACD_CB05, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.988704E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IPACD_CB05, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.988704E-01, 0.000000E+00, 0.000000E+00 /\n\n\nC...MGLY_IUPAC04\nC.. CH3COCHO + hv ---> CH3CO + HCO\nC.. From IUPAC Subcommittee on Gas Kinetic Data Evaluation; IUPAC Stern-Volmer expression\nC.. Data Sheet P6_CH3COCHO+hv.pdf, updated 16th Jan, 2003\nC.. Website: http://www.iupac-kinetic.ch.cam.ac.uk/\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IMGLY_IUPAC04 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IMGLY_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.380391E-20, 3.467071E-20, 2.430916E-20, 1.788232E-20, \n & 6.183676E-21, 3.700269E-20, 7.900482E-21 /\n DATA ( CS_REF( IMGLY_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.380391E-20, 3.467071E-20, 2.430916E-20, 1.788232E-20, \n & 6.183676E-21, 3.700269E-20, 7.900482E-21 /\n DATA ( CS_REF( IMGLY_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.380391E-20, 3.467071E-20, 2.430916E-20, 1.788232E-20, \n & 6.183676E-21, 3.700269E-20, 7.900482E-21 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IMGLY_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 5.166998E-01, 2.503722E-03 /\n DATA ( QY_REF( IMGLY_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 5.166998E-01, 2.503722E-03 /\n DATA ( QY_REF( IMGLY_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 5.166998E-01, 2.503722E-03 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IMGLY_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.380391E-20, 3.467071E-20, 2.430916E-20, 1.788232E-20, \n & 6.183676E-21, 8.170202E-21, 2.110403E-22 /\n DATA ( ECS_REF( IMGLY_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.380391E-20, 3.467071E-20, 2.430916E-20, 1.788232E-20, \n & 6.183676E-21, 8.170202E-21, 2.110403E-22 /\n DATA ( ECS_REF( IMGLY_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.380391E-20, 3.467071E-20, 2.430916E-20, 1.788232E-20, \n & 6.183676E-21, 8.170202E-21, 2.110403E-22 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IMGLY_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 2.208002E-01, 2.671233E-02 /\n DATA ( EQY_REF( IMGLY_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 2.208002E-01, 2.671233E-02 /\n DATA ( EQY_REF( IMGLY_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 2.208002E-01, 2.671233E-02 /\n\n\nC...CL2_IUPAC04\nC.. CL2 + HV = 2*CL\nC.. IUPAC Subcommittee on Gas Kinetic Data Evaluation; Data Sheet PCl11 Website: 15th December 2000\nC.. Website: http://www.iupac-kinetic.ch.cam.ac.uk\nC.. Assume these are point values (not specified in data source)\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, ICL2_IUPAC04 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( ICL2_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.824935E-20, 1.400673E-19, 1.841698E-19, 2.185164E-19, \n & 2.410846E-19, 6.539243E-20, 6.126821E-22 /\n DATA ( CS_REF( ICL2_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 8.824935E-20, 1.400673E-19, 1.841698E-19, 2.185164E-19, \n & 2.410846E-19, 6.539243E-20, 6.126821E-22 /\n DATA ( CS_REF( ICL2_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 8.824935E-20, 1.400673E-19, 1.841698E-19, 2.185164E-19, \n & 2.410846E-19, 6.539243E-20, 6.126821E-22 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( ICL2_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.135570E-01 /\n DATA ( QY_REF( ICL2_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.135570E-01 /\n DATA ( QY_REF( ICL2_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.135570E-01 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( ICL2_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.824935E-20, 1.400673E-19, 1.841698E-19, 2.185164E-19, \n & 2.410846E-19, 6.539243E-20, 6.126374E-22 /\n DATA ( ECS_REF( ICL2_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 8.824935E-20, 1.400673E-19, 1.841698E-19, 2.185164E-19, \n & 2.410846E-19, 6.539243E-20, 6.126374E-22 /\n DATA ( ECS_REF( ICL2_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 8.824935E-20, 1.400673E-19, 1.841698E-19, 2.185164E-19, \n & 2.410846E-19, 6.539243E-20, 6.126374E-22 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( ICL2_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.999270E-01 /\n DATA ( EQY_REF( ICL2_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.999270E-01 /\n DATA ( EQY_REF( ICL2_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.999270E-01 /\n\n\nC...HOCL_IUPAC04\nC.. HOCL + HV = HO + CL\nC.. IUPAC Subcommittee on Gas Kinetic Data Evaluation; Data Sheet PCl2 Website: 15th December 2000\nC.. Website: http://www.iupac-kinetic.ch.cam.ac.uk\nC.. Assume these are point values - not specified in data source\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IHOCL_IUPAC04 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IHOCL_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.570117E-20, 6.066934E-20, 5.958161E-20, 5.377945E-20, \n & 3.120855E-20, 6.545254E-21, 1.172828E-23 /\n DATA ( CS_REF( IHOCL_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 5.570117E-20, 6.066934E-20, 5.958161E-20, 5.377945E-20, \n & 3.120855E-20, 6.545254E-21, 1.172828E-23 /\n DATA ( CS_REF( IHOCL_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 5.570117E-20, 6.066934E-20, 5.958161E-20, 5.377945E-20, \n & 3.120855E-20, 6.545254E-21, 1.172828E-23 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IHOCL_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.319226E-02 /\n DATA ( QY_REF( IHOCL_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.319226E-02 /\n DATA ( QY_REF( IHOCL_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.319226E-02 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IHOCL_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.570117E-20, 6.066934E-20, 5.958161E-20, 5.377945E-20, \n & 3.120855E-20, 6.545254E-21, 1.171483E-23 /\n DATA ( ECS_REF( IHOCL_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 5.570117E-20, 6.066934E-20, 5.958161E-20, 5.377945E-20, \n & 3.120855E-20, 6.545254E-21, 1.171483E-23 /\n DATA ( ECS_REF( IHOCL_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 5.570117E-20, 6.066934E-20, 5.958161E-20, 5.377945E-20, \n & 3.120855E-20, 6.545254E-21, 1.171483E-23 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IHOCL_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.988528E-01 /\n DATA ( EQY_REF( IHOCL_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.988528E-01 /\n DATA ( EQY_REF( IHOCL_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.988528E-01 /\n\n\nC...FMCL_IUPAC04\nC.. FMCL + hv --> HCO + CL\nC.. IUPAC Subcommittee on Gas Kinetic Data Evaluation; Data Sheet PCl28 Website: 15th December 2000\nC.. Website: http://www.iupac-kinetic.ch.cam.ac.uk\nC.. Reference: H. G. Libuda, F. Zabel, E. H. Fink, and K. H. Becker, J. Phys. Chem. 94, 5860 (1990)\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IFMCL_IUPAC04 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IFMCL_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.320050E-21, 1.421323E-21, 2.242342E-22, 8.360462E-23, \n & 0.000000E+00, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IFMCL_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 5.320050E-21, 1.421323E-21, 2.242342E-22, 8.360462E-23, \n & 0.000000E+00, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IFMCL_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 5.320050E-21, 1.421323E-21, 2.242342E-22, 8.360462E-23, \n & 0.000000E+00, 0.000000E+00, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IFMCL_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 7.811255E-01, \n & 0.000000E+00, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IFMCL_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 7.811255E-01, \n & 0.000000E+00, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IFMCL_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 7.811255E-01, \n & 0.000000E+00, 0.000000E+00, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IFMCL_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.320050E-21, 1.421323E-21, 2.242342E-22, 8.349381E-23, \n & 0.000000E+00, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IFMCL_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 5.320050E-21, 1.421323E-21, 2.242342E-22, 8.349381E-23, \n & 0.000000E+00, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IFMCL_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 5.320050E-21, 1.421323E-21, 2.242342E-22, 8.349381E-23, \n & 0.000000E+00, 0.000000E+00, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IFMCL_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 9.986746E-01, \n & 0.000000E+00, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IFMCL_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 9.986746E-01, \n & 0.000000E+00, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IFMCL_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 9.986746E-01, \n & 0.000000E+00, 0.000000E+00, 0.000000E+00 /\n\n\nC...NO2\nC.. NO2 + HV = NO + O\nC.. From NASA (2006).\nC.. Absorption cross sections are averages for wavelength intervals given.\nC.. Data alligned to smallest wavelength intervals for abs. coefs and qy's.\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, INO2 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( INO2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.075248E-19, 1.484195E-19, 1.882053E-19, 2.274755E-19, \n & 3.449308E-19, 5.754674E-19, 1.195356E-20 /\n DATA ( CS_REF( INO2, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.075248E-19, 1.484195E-19, 1.882053E-19, 2.274755E-19, \n & 3.449308E-19, 5.754674E-19, 1.195356E-20 /\n DATA ( CS_REF( INO2, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.075248E-19, 1.484195E-19, 1.882053E-19, 2.274755E-19, \n & 3.449308E-19, 5.754674E-19, 1.195356E-20 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( INO2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 8.174767E-01, 7.500220E-04 /\n DATA ( QY_REF( INO2, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 8.174767E-01, 7.500220E-04 /\n DATA ( QY_REF( INO2, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 8.174767E-01, 7.500220E-04 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( INO2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.075248E-19, 1.484195E-19, 1.882053E-19, 2.274755E-19, \n & 3.449308E-19, 4.644383E-19, 4.476030E-22 /\n DATA ( ECS_REF( INO2, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.075248E-19, 1.484195E-19, 1.882053E-19, 2.274755E-19, \n & 3.449308E-19, 4.644383E-19, 4.476030E-22 /\n DATA ( ECS_REF( INO2, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.075248E-19, 1.484195E-19, 1.882053E-19, 2.274755E-19, \n & 3.449308E-19, 4.644383E-19, 4.476030E-22 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( INO2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 8.070627E-01, 3.744516E-02 /\n DATA ( EQY_REF( INO2, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 8.070627E-01, 3.744516E-02 /\n DATA ( EQY_REF( INO2, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 8.070627E-01, 3.744516E-02 /\n\n\nC...O3O1D\nC.. O3 + HV = O1D + O2\nC.. NASA (2006) abs. Coefs and IUPAC (2006) quantum yields\nC.. Absorption cross sections from NASA (2006).\nC.. Quantum yields are from IUPAC (2006) recommendation, interpolated\nC.. to the NASA (2006) absorption cross section wavelengths.\nC.. NASA (2006) does not give useable recommendations for the absorption\nC.. cross sections, except at <305 and >329 nm, where they are consistent\nC.. with the IUPAC recommendations.\nC.. Formation of O1D assumed not to occur at the high wavelength band.\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IO3O1D ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IO3O1D, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.538728E-19, 2.750705E-19, 1.063739E-19, 4.625938E-20, \n & 6.599046E-21, 5.460110E-23, 0.000000E+00 /\n DATA ( CS_REF( IO3O1D, 2, IWLR ), IWLR = 1, 7 ) /\n & 8.538728E-19, 2.750705E-19, 1.063739E-19, 4.625938E-20, \n & 6.599046E-21, 5.460110E-23, 0.000000E+00 /\n DATA ( CS_REF( IO3O1D, 3, IWLR ), IWLR = 1, 7 ) /\n & 8.538728E-19, 2.750705E-19, 1.063739E-19, 4.625938E-20, \n & 6.599046E-21, 5.460110E-23, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IO3O1D, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.000000E-01, 8.929066E-01, 5.359897E-01, 2.218182E-01, \n & 8.688402E-02, 4.278573E-02, 0.000000E+00 /\n DATA ( QY_REF( IO3O1D, 2, IWLR ), IWLR = 1, 7 ) /\n & 9.000000E-01, 8.929066E-01, 5.359897E-01, 2.218182E-01, \n & 8.688402E-02, 4.278573E-02, 0.000000E+00 /\n DATA ( QY_REF( IO3O1D, 3, IWLR ), IWLR = 1, 7 ) /\n & 9.000000E-01, 8.929066E-01, 5.359897E-01, 2.218182E-01, \n & 8.688402E-02, 4.278573E-02, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IO3O1D, 1, IWLR ), IWLR = 1, 7 ) /\n & 7.684855E-19, 2.464146E-19, 6.078741E-20, 1.068696E-20, \n & 6.625140E-22, 4.350830E-24, 0.000000E+00 /\n DATA ( ECS_REF( IO3O1D, 2, IWLR ), IWLR = 1, 7 ) /\n & 7.684855E-19, 2.464146E-19, 6.078741E-20, 1.068696E-20, \n & 6.625140E-22, 4.350830E-24, 0.000000E+00 /\n DATA ( ECS_REF( IO3O1D, 3, IWLR ), IWLR = 1, 7 ) /\n & 7.684855E-19, 2.464146E-19, 6.078741E-20, 1.068696E-20, \n & 6.625140E-22, 4.350830E-24, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IO3O1D, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.000000E-01, 8.958234E-01, 5.714505E-01, 2.310225E-01, \n & 1.003954E-01, 7.968391E-02, 0.000000E+00 /\n DATA ( EQY_REF( IO3O1D, 2, IWLR ), IWLR = 1, 7 ) /\n & 9.000000E-01, 8.958234E-01, 5.714505E-01, 2.310225E-01, \n & 1.003954E-01, 7.968391E-02, 0.000000E+00 /\n DATA ( EQY_REF( IO3O1D, 3, IWLR ), IWLR = 1, 7 ) /\n & 9.000000E-01, 8.958234E-01, 5.714505E-01, 2.310225E-01, \n & 1.003954E-01, 7.968391E-02, 0.000000E+00 /\n\n\nC...O3O3P\nC.. O3 + HV = O3P + O2\nC.. Absorption cross sections from NASA (2006).\nC.. Quantum yields are derived from the O1D quantum yields in the low wavelength re\nC.. Unit quantum yields assumed in high wavelength region.\nC.. Absorption cross sections below 829 nm are extrapolated\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IO3O3P ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IO3O3P, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.407954E-19, 2.749065E-19, 1.063739E-19, 4.625938E-20, \n & 6.803406E-21, 6.139220E-23, 1.666851E-21 /\n DATA ( CS_REF( IO3O3P, 2, IWLR ), IWLR = 1, 7 ) /\n & 8.407954E-19, 2.749065E-19, 1.063739E-19, 4.625938E-20, \n & 6.803406E-21, 6.139220E-23, 1.666851E-21 /\n DATA ( CS_REF( IO3O3P, 3, IWLR ), IWLR = 1, 7 ) /\n & 8.407954E-19, 2.749065E-19, 1.063739E-19, 4.625938E-20, \n & 6.803406E-21, 6.139220E-23, 1.666851E-21 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IO3O3P, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E-01, 1.070934E-01, 4.640103E-01, 7.781818E-01, \n & 9.123903E-01, 9.572143E-01, 9.795594E-01 /\n DATA ( QY_REF( IO3O3P, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E-01, 1.070934E-01, 4.640103E-01, 7.781818E-01, \n & 9.123903E-01, 9.572143E-01, 9.795594E-01 /\n DATA ( QY_REF( IO3O3P, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E-01, 1.070934E-01, 4.640103E-01, 7.781818E-01, \n & 9.123903E-01, 9.572143E-01, 9.795594E-01 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IO3O3P, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.407954E-20, 2.863951E-20, 4.558648E-20, 3.557242E-20, \n & 6.109183E-21, 5.704138E-23, 1.666851E-21 /\n DATA ( ECS_REF( IO3O3P, 2, IWLR ), IWLR = 1, 7 ) /\n & 8.407954E-20, 2.863951E-20, 4.558648E-20, 3.557242E-20, \n & 6.109183E-21, 5.704138E-23, 1.666851E-21 /\n DATA ( ECS_REF( IO3O3P, 3, IWLR ), IWLR = 1, 7 ) /\n & 8.407954E-20, 2.863951E-20, 4.558648E-20, 3.557242E-20, \n & 6.109183E-21, 5.704138E-23, 1.666851E-21 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IO3O3P, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E-01, 1.041791E-01, 4.285495E-01, 7.689775E-01, \n & 8.979595E-01, 9.291306E-01, 1.000000E+00 /\n DATA ( EQY_REF( IO3O3P, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E-01, 1.041791E-01, 4.285495E-01, 7.689775E-01, \n & 8.979595E-01, 9.291306E-01, 1.000000E+00 /\n DATA ( EQY_REF( IO3O3P, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E-01, 1.041791E-01, 4.285495E-01, 7.689775E-01, \n & 8.979595E-01, 9.291306E-01, 1.000000E+00 /\n\n\nC...KETONE\nC.. MEK absorption cross sections\nC.. IUPAC Subcommittee on Gas Kinetic Data Evaluation Data Sheet P8\nC.. This datasheet updated: 5th December 2005.\nC.. Website: http://www.iupac-kinetic.ch.cam.ac.uk/.\nC.. Note that recommended quantum yield is 0.34 and SAPRC07T sets\nC.. value to 0.175 in mechanism definition file\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IKETONE ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IKETONE, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.166522E-20, 2.686872E-20, 1.573254E-20, 7.723365E-21, \n & 8.066992E-22, 1.609984E-25, 0.000000E+00 /\n DATA ( CS_REF( IKETONE, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.166522E-20, 2.686872E-20, 1.573254E-20, 7.723365E-21, \n & 8.066992E-22, 1.609984E-25, 0.000000E+00 /\n DATA ( CS_REF( IKETONE, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.166522E-20, 2.686872E-20, 1.573254E-20, 7.723365E-21, \n & 8.066992E-22, 1.609984E-25, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IKETONE, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 2.161979E-02, 0.000000E+00 /\n DATA ( QY_REF( IKETONE, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 2.161979E-02, 0.000000E+00 /\n DATA ( QY_REF( IKETONE, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 2.161979E-02, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IKETONE, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.166522E-20, 2.686872E-20, 1.573254E-20, 7.723365E-21, \n & 8.066992E-22, 1.609804E-25, 0.000000E+00 /\n DATA ( ECS_REF( IKETONE, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.166522E-20, 2.686872E-20, 1.573254E-20, 7.723365E-21, \n & 8.066992E-22, 1.609804E-25, 0.000000E+00 /\n DATA ( ECS_REF( IKETONE, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.166522E-20, 2.686872E-20, 1.573254E-20, 7.723365E-21, \n & 8.066992E-22, 1.609804E-25, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IKETONE, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.998884E-01, 0.000000E+00 /\n DATA ( EQY_REF( IKETONE, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.998884E-01, 0.000000E+00 /\n DATA ( EQY_REF( IKETONE, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.998884E-01, 0.000000E+00 /\n\n\nC...MGLY_ABS\nC.. Methyl Glyoxal Absorption Cross Sections\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IMGLY_ABS ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IMGLY_ABS, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.414885E-20, 3.510064E-20, 2.364210E-20, 1.814704E-20, \n & 5.998223E-21, 3.697529E-20, 7.930063E-21 /\n DATA ( CS_REF( IMGLY_ABS, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.414885E-20, 3.510064E-20, 2.364210E-20, 1.814704E-20, \n & 5.998223E-21, 3.697529E-20, 7.930063E-21 /\n DATA ( CS_REF( IMGLY_ABS, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.414885E-20, 3.510064E-20, 2.364210E-20, 1.814704E-20, \n & 5.998223E-21, 3.697529E-20, 7.930063E-21 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IMGLY_ABS, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.689096E-01 /\n DATA ( QY_REF( IMGLY_ABS, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.689096E-01 /\n DATA ( QY_REF( IMGLY_ABS, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.689096E-01 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IMGLY_ABS, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.414885E-20, 3.510064E-20, 2.364210E-20, 1.814704E-20, \n & 5.998223E-21, 3.697529E-20, 7.930063E-21 /\n DATA ( ECS_REF( IMGLY_ABS, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.414885E-20, 3.510064E-20, 2.364210E-20, 1.814704E-20, \n & 5.998223E-21, 3.697529E-20, 7.930063E-21 /\n DATA ( ECS_REF( IMGLY_ABS, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.414885E-20, 3.510064E-20, 2.364210E-20, 1.814704E-20, \n & 5.998223E-21, 3.697529E-20, 7.930063E-21 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IMGLY_ABS, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.000000E+00 /\n DATA ( EQY_REF( IMGLY_ABS, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.000000E+00 /\n DATA ( EQY_REF( IMGLY_ABS, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.000000E+00 /\n\n\nC...MGLY_ADJ\nC.. MGLY + HV = PRODUCTS\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IMGLY_ADJ ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IMGLY_ADJ, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.414885E-20, 3.510064E-20, 2.364210E-20, 1.814704E-20, \n & 5.998223E-21, 3.697529E-20, 1.477388E-21 /\n DATA ( CS_REF( IMGLY_ADJ, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.414885E-20, 3.510064E-20, 2.364210E-20, 1.814704E-20, \n & 5.998223E-21, 3.697529E-20, 1.477388E-21 /\n DATA ( CS_REF( IMGLY_ADJ, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.414885E-20, 3.510064E-20, 2.364210E-20, 1.814704E-20, \n & 5.998223E-21, 3.697529E-20, 1.477388E-21 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IMGLY_ADJ, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.992942E-01, 3.801419E-01, 0.000000E+00 /\n DATA ( QY_REF( IMGLY_ADJ, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.992942E-01, 3.801419E-01, 0.000000E+00 /\n DATA ( QY_REF( IMGLY_ADJ, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.992942E-01, 3.801419E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IMGLY_ADJ, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.414885E-20, 3.510064E-20, 2.364210E-20, 1.814704E-20, \n & 5.996164E-21, 6.110804E-21, 0.000000E+00 /\n DATA ( ECS_REF( IMGLY_ADJ, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.414885E-20, 3.510064E-20, 2.364210E-20, 1.814704E-20, \n & 5.996164E-21, 6.110804E-21, 0.000000E+00 /\n DATA ( ECS_REF( IMGLY_ADJ, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.414885E-20, 3.510064E-20, 2.364210E-20, 1.814704E-20, \n & 5.996164E-21, 6.110804E-21, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IMGLY_ADJ, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.996566E-01, 1.652672E-01, 0.000000E+00 /\n DATA ( EQY_REF( IMGLY_ADJ, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.996566E-01, 1.652672E-01, 0.000000E+00 /\n DATA ( EQY_REF( IMGLY_ADJ, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.996566E-01, 1.652672E-01, 0.000000E+00 /\n\n\nC...ACETONE\nC.. CH3-CO-CH3 + HV = Radical products\nC.. IUPAC Subcommittee on Gas Kinetic Data Evaluation Data Sheet P7\nC.. This datasheet updated: 19th December 2005.\nC.. Website: http://www.iupac-kinetic.ch.cam.ac.uk/.\nC.. IUPAC recommendations used for both absorption cross sections and quantum yield\nC.. Cross sections and quantum yields are for 298K only.\nC.. Uncertain whether the cross sections are calculated correctly from the complex\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IACETONE ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IACETONE, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.464058E-20, 2.276631E-20, 1.367786E-20, 7.373137E-21, \n & 8.850609E-22, 8.179470E-25, 0.000000E+00 /\n DATA ( CS_REF( IACETONE, 2, IWLR ), IWLR = 1, 7 ) /\n & 3.464058E-20, 2.276631E-20, 1.367786E-20, 7.373137E-21, \n & 8.850609E-22, 8.179470E-25, 0.000000E+00 /\n DATA ( CS_REF( IACETONE, 3, IWLR ), IWLR = 1, 7 ) /\n & 3.464058E-20, 2.276631E-20, 1.367786E-20, 7.373137E-21, \n & 8.850609E-22, 8.179470E-25, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IACETONE, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.457704E-01, 2.094483E-01, 8.573251E-02, 3.882141E-02, \n & 9.387424E-03, 1.342100E-04, 0.000000E+00 /\n DATA ( QY_REF( IACETONE, 2, IWLR ), IWLR = 1, 7 ) /\n & 3.457704E-01, 2.094483E-01, 8.573251E-02, 3.882141E-02, \n & 9.387424E-03, 1.342100E-04, 0.000000E+00 /\n DATA ( QY_REF( IACETONE, 3, IWLR ), IWLR = 1, 7 ) /\n & 3.457704E-01, 2.094483E-01, 8.573251E-02, 3.882141E-02, \n & 9.387424E-03, 1.342100E-04, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IACETONE, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.207275E-20, 4.950919E-21, 1.203532E-21, 3.067005E-22, \n & 1.419284E-23, 2.303166E-27, 0.000000E+00 /\n DATA ( ECS_REF( IACETONE, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.207275E-20, 4.950919E-21, 1.203532E-21, 3.067005E-22, \n & 1.419284E-23, 2.303166E-27, 0.000000E+00 /\n DATA ( ECS_REF( IACETONE, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.207275E-20, 4.950919E-21, 1.203532E-21, 3.067005E-22, \n & 1.419284E-23, 2.303166E-27, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IACETONE, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.485148E-01, 2.174669E-01, 8.799125E-02, 4.159702E-02, \n & 1.603601E-02, 2.815788E-03, 0.000000E+00 /\n DATA ( EQY_REF( IACETONE, 2, IWLR ), IWLR = 1, 7 ) /\n & 3.485148E-01, 2.174669E-01, 8.799125E-02, 4.159702E-02, \n & 1.603601E-02, 2.815788E-03, 0.000000E+00 /\n DATA ( EQY_REF( IACETONE, 3, IWLR ), IWLR = 1, 7 ) /\n & 3.485148E-01, 2.174669E-01, 8.799125E-02, 4.159702E-02, \n & 1.603601E-02, 2.815788E-03, 0.000000E+00 /\n\n\n END MODULE CSQY_DATA\n" }, { "path": "UTIL/inline_phot_preproc/src/CSQY_DATA-solflx-lowtran.f", "content": " MODULE CSQY_DATA\n\n IMPLICIT NONE\n\nC.....PARAMETERS and their descriptions:\n\n INTEGER, PARAMETER :: NPHOT_REF = 84 ! # ref phot reactions \n\n INTEGER, PARAMETER :: NTEMP_REF = 3 ! # ref temperatures \n\n INTEGER, PARAMETER :: NWL_REF = 7 ! # ref wavelengths \n\nC...Names of the mapped photolysis reactions (available to chemical)\nC... mechanisms) and their pointers to the reference photolysis rxn\n\n\n INTEGER, PARAMETER :: INO2_06 = 1 ! pointer to NO2-06 \n INTEGER, PARAMETER :: INO3NO_06 = 2 ! pointer to NO3NO-06 \n INTEGER, PARAMETER :: INO3NO2_6 = 3 ! pointer to NO3NO2-6 \n INTEGER, PARAMETER :: IO3O1D_06 = 4 ! pointer to O3O1D-06 \n INTEGER, PARAMETER :: IO3O3P_06 = 5 ! pointer to O3O3P-06 \n INTEGER, PARAMETER :: IHONO_06 = 6 ! pointer to HONO-06 \n INTEGER, PARAMETER :: IHNO3 = 7 ! pointer to HNO3 \n INTEGER, PARAMETER :: IHNO4_06 = 8 ! pointer to HNO4-06 \n INTEGER, PARAMETER :: IH2O2 = 9 ! pointer to H2O2 \n INTEGER, PARAMETER :: INO2EX = 10 ! pointer to NO2EX \n INTEGER, PARAMETER :: IPAN = 11 ! pointer to PAN \n INTEGER, PARAMETER :: IHCHOR_06 = 12 ! pointer to HCHOR-06 \n INTEGER, PARAMETER :: IHCHOM_06 = 13 ! pointer to HCHOM-06 \n INTEGER, PARAMETER :: ICCHO_R = 14 ! pointer to CCHO_R \n INTEGER, PARAMETER :: IC2CHO = 15 ! pointer to C2CHO \n INTEGER, PARAMETER :: IACET_06 = 16 ! pointer to ACET-06 \n INTEGER, PARAMETER :: IMEK_06 = 17 ! pointer to MEK-06 \n INTEGER, PARAMETER :: ICOOH = 18 ! pointer to COOH \n INTEGER, PARAMETER :: IGLY_07R = 19 ! pointer to GLY-07R \n INTEGER, PARAMETER :: IGLY_07M = 20 ! pointer to GLY-07M \n INTEGER, PARAMETER :: IMGLY_06 = 21 ! pointer to MGLY-06 \n INTEGER, PARAMETER :: IBACL_07 = 22 ! pointer to BACL-07 \n INTEGER, PARAMETER :: IBALD_06 = 23 ! pointer to BALD-06 \n INTEGER, PARAMETER :: IAFG1 = 24 ! pointer to AFG1 \n INTEGER, PARAMETER :: IMACR_06 = 25 ! pointer to MACR-06 \n INTEGER, PARAMETER :: IMVK_06 = 26 ! pointer to MVK-06 \n INTEGER, PARAMETER :: IIC3ONO2 = 27 ! pointer to IC3ONO2 \n INTEGER, PARAMETER :: IHOCCHO_IUPAC = 28 ! pointer to HOCCHO_IUPAC \n INTEGER, PARAMETER :: IACRO_09 = 29 ! pointer to ACRO-09 \n INTEGER, PARAMETER :: IPAA = 30 ! pointer to PAA \n INTEGER, PARAMETER :: ICL2 = 31 ! pointer to CL2 \n INTEGER, PARAMETER :: ICLNO_06 = 32 ! pointer to CLNO-06 \n INTEGER, PARAMETER :: ICLONO = 33 ! pointer to CLONO \n INTEGER, PARAMETER :: ICLNO2 = 34 ! pointer to CLNO2 \n INTEGER, PARAMETER :: ICLONO2_1 = 35 ! pointer to CLONO2-1 \n INTEGER, PARAMETER :: ICLONO2_2 = 36 ! pointer to CLONO2-2 \n INTEGER, PARAMETER :: IHOCL_06 = 37 ! pointer to HOCL-06 \n INTEGER, PARAMETER :: ICLCCHO = 38 ! pointer to CLCCHO \n INTEGER, PARAMETER :: ICLACET = 39 ! pointer to CLACET \n INTEGER, PARAMETER :: INO2_SAPRC99 = 40 ! pointer to NO2_SAPRC99 \n INTEGER, PARAMETER :: INO3NO_SAPRC99 = 41 ! pointer to NO3NO_SAPRC99 \n INTEGER, PARAMETER :: INO3NO2_SAPRC99 = 42 ! pointer to NO3NO2_SAPRC99 \n INTEGER, PARAMETER :: IO3O3P_SAPRC99 = 43 ! pointer to O3O3P_SAPRC99 \n INTEGER, PARAMETER :: IO3O1D_SAPRC99 = 44 ! pointer to O3O1D_SAPRC99 \n INTEGER, PARAMETER :: IHONO_NO_SAPRC99 = 45 ! pointer to HONO_NO_SAPRC99 \n INTEGER, PARAMETER :: IHONO_NO2_SAPRC99 = 46 ! pointer to HONO_NO2_SAPRC99\n INTEGER, PARAMETER :: IHNO3_SAPRC99 = 47 ! pointer to HNO3_SAPRC99 \n INTEGER, PARAMETER :: IHO2NO2_SAPRC99 = 48 ! pointer to HO2NO2_SAPRC99 \n INTEGER, PARAMETER :: IH2O2_SAPRC99 = 49 ! pointer to H2O2_SAPRC99 \n INTEGER, PARAMETER :: IHCHO_R_SAPRC99 = 50 ! pointer to HCHO_R_SAPRC99 \n INTEGER, PARAMETER :: IHCHO_M_SAPRC99 = 51 ! pointer to HCHO_M_SAPRC99 \n INTEGER, PARAMETER :: ICCHO_R_SAPRC99 = 52 ! pointer to CCHO_R_SAPRC99 \n INTEGER, PARAMETER :: IC2CHO_SAPRC99 = 53 ! pointer to C2CHO_SAPRC99 \n INTEGER, PARAMETER :: IACETONE_SAPRC99 = 54 ! pointer to ACETONE_SAPRC99 \n INTEGER, PARAMETER :: IKETONE_SAPRC99 = 55 ! pointer to KETONE_SAPRC99 \n INTEGER, PARAMETER :: ICOOH_SAPRC99 = 56 ! pointer to COOH_SAPRC99 \n INTEGER, PARAMETER :: IGLY_R_SAPRC99 = 57 ! pointer to GLY_R_SAPRC99 \n INTEGER, PARAMETER :: IGLY_ABS_SAPRC99 = 58 ! pointer to GLY_ABS_SAPRC99 \n INTEGER, PARAMETER :: IMGLY_ADJ_SAPRC99 = 59 ! pointer to MGLY_ADJ_SAPRC99\n INTEGER, PARAMETER :: IBACL_ADJ_SAPRC99 = 60 ! pointer to BACL_ADJ_SAPRC99\n INTEGER, PARAMETER :: IBZCHO_SAPRC99 = 61 ! pointer to BZCHO_SAPRC99 \n INTEGER, PARAMETER :: IACROLEIN_SAPRC99 = 62 ! pointer to ACROLEIN_SAPRC99\n INTEGER, PARAMETER :: IIC3ONO2_SAPRC99 = 63 ! pointer to IC3ONO2_SAPRC99 \n INTEGER, PARAMETER :: IMGLY_ABS_SAPRC99 = 64 ! pointer to MGLY_ABS_SAPRC99\n INTEGER, PARAMETER :: IO3_O3P_IUPAC04 = 65 ! pointer to O3_O3P_IUPAC04 \n INTEGER, PARAMETER :: IO3_O1D_IUPAC04 = 66 ! pointer to O3_O1D_IUPAC04 \n INTEGER, PARAMETER :: IHONO_IUPAC04 = 67 ! pointer to HONO_IUPAC04 \n INTEGER, PARAMETER :: IHO2NO2_IUPAC04 = 68 ! pointer to HO2NO2_IUPAC04 \n INTEGER, PARAMETER :: IHNO3_IUPAC04 = 69 ! pointer to HNO3_IUPAC04 \n INTEGER, PARAMETER :: IN2O5_IUPAC04 = 70 ! pointer to N2O5_IUPAC04 \n INTEGER, PARAMETER :: INTR_IUPAC04 = 71 ! pointer to NTR_IUPAC04 \n INTEGER, PARAMETER :: IPAN_IUPAC04 = 72 ! pointer to PAN_IUPAC04 \n INTEGER, PARAMETER :: IPACD_CB05 = 73 ! pointer to PACD_CB05 \n INTEGER, PARAMETER :: IMGLY_IUPAC04 = 74 ! pointer to MGLY_IUPAC04 \n INTEGER, PARAMETER :: ICL2_IUPAC04 = 75 ! pointer to CL2_IUPAC04 \n INTEGER, PARAMETER :: IHOCL_IUPAC04 = 76 ! pointer to HOCL_IUPAC04 \n INTEGER, PARAMETER :: IFMCL_IUPAC04 = 77 ! pointer to FMCL_IUPAC04 \n INTEGER, PARAMETER :: INO2 = 78 ! pointer to NO2 \n INTEGER, PARAMETER :: IO3O1D = 79 ! pointer to O3O1D \n INTEGER, PARAMETER :: IO3O3P = 80 ! pointer to O3O3P \n INTEGER, PARAMETER :: IKETONE = 81 ! pointer to KETONE \n INTEGER, PARAMETER :: IMGLY_ABS = 82 ! pointer to MGLY_ABS \n INTEGER, PARAMETER :: IMGLY_ADJ = 83 ! pointer to MGLY_ADJ \n INTEGER, PARAMETER :: IACETONE = 84 ! pointer to ACETONE \n\n CHARACTER(16), SAVE :: PNAME_REF( NPHOT_REF )\n\n DATA PNAME_REF( INO2_06 ) / 'NO2-06 ' /\n DATA PNAME_REF( INO3NO_06 ) / 'NO3NO-06 ' /\n DATA PNAME_REF( INO3NO2_6 ) / 'NO3NO2-6 ' /\n DATA PNAME_REF( IO3O1D_06 ) / 'O3O1D-06 ' /\n DATA PNAME_REF( IO3O3P_06 ) / 'O3O3P-06 ' /\n DATA PNAME_REF( IHONO_06 ) / 'HONO-06 ' /\n DATA PNAME_REF( IHNO3 ) / 'HNO3 ' /\n DATA PNAME_REF( IHNO4_06 ) / 'HNO4-06 ' /\n DATA PNAME_REF( IH2O2 ) / 'H2O2 ' /\n DATA PNAME_REF( INO2EX ) / 'NO2EX ' /\n DATA PNAME_REF( IPAN ) / 'PAN ' /\n DATA PNAME_REF( IHCHOR_06 ) / 'HCHOR-06 ' /\n DATA PNAME_REF( IHCHOM_06 ) / 'HCHOM-06 ' /\n DATA PNAME_REF( ICCHO_R ) / 'CCHO_R ' /\n DATA PNAME_REF( IC2CHO ) / 'C2CHO ' /\n DATA PNAME_REF( IACET_06 ) / 'ACET-06 ' /\n DATA PNAME_REF( IMEK_06 ) / 'MEK-06 ' /\n DATA PNAME_REF( ICOOH ) / 'COOH ' /\n DATA PNAME_REF( IGLY_07R ) / 'GLY-07R ' /\n DATA PNAME_REF( IGLY_07M ) / 'GLY-07M ' /\n DATA PNAME_REF( IMGLY_06 ) / 'MGLY-06 ' /\n DATA PNAME_REF( IBACL_07 ) / 'BACL-07 ' /\n DATA PNAME_REF( IBALD_06 ) / 'BALD-06 ' /\n DATA PNAME_REF( IAFG1 ) / 'AFG1 ' /\n DATA PNAME_REF( IMACR_06 ) / 'MACR-06 ' /\n DATA PNAME_REF( IMVK_06 ) / 'MVK-06 ' /\n DATA PNAME_REF( IIC3ONO2 ) / 'IC3ONO2 ' /\n DATA PNAME_REF( IHOCCHO_IUPAC ) / 'HOCCHO_IUPAC ' /\n DATA PNAME_REF( IACRO_09 ) / 'ACRO-09 ' /\n DATA PNAME_REF( IPAA ) / 'PAA ' /\n DATA PNAME_REF( ICL2 ) / 'CL2 ' /\n DATA PNAME_REF( ICLNO_06 ) / 'CLNO-06 ' /\n DATA PNAME_REF( ICLONO ) / 'CLONO ' /\n DATA PNAME_REF( ICLNO2 ) / 'CLNO2 ' /\n DATA PNAME_REF( ICLONO2_1 ) / 'CLONO2-1 ' /\n DATA PNAME_REF( ICLONO2_2 ) / 'CLONO2-2 ' /\n DATA PNAME_REF( IHOCL_06 ) / 'HOCL-06 ' /\n DATA PNAME_REF( ICLCCHO ) / 'CLCCHO ' /\n DATA PNAME_REF( ICLACET ) / 'CLACET ' /\n DATA PNAME_REF( INO2_SAPRC99 ) / 'NO2_SAPRC99 ' /\n DATA PNAME_REF( INO3NO_SAPRC99 ) / 'NO3NO_SAPRC99 ' /\n DATA PNAME_REF( INO3NO2_SAPRC99 ) / 'NO3NO2_SAPRC99 ' /\n DATA PNAME_REF( IO3O3P_SAPRC99 ) / 'O3O3P_SAPRC99 ' /\n DATA PNAME_REF( IO3O1D_SAPRC99 ) / 'O3O1D_SAPRC99 ' /\n DATA PNAME_REF( IHONO_NO_SAPRC99 ) / 'HONO_NO_SAPRC99 ' /\n DATA PNAME_REF( IHONO_NO2_SAPRC99 ) / 'HONO_NO2_SAPRC99' /\n DATA PNAME_REF( IHNO3_SAPRC99 ) / 'HNO3_SAPRC99 ' /\n DATA PNAME_REF( IHO2NO2_SAPRC99 ) / 'HO2NO2_SAPRC99 ' /\n DATA PNAME_REF( IH2O2_SAPRC99 ) / 'H2O2_SAPRC99 ' /\n DATA PNAME_REF( IHCHO_R_SAPRC99 ) / 'HCHO_R_SAPRC99 ' /\n DATA PNAME_REF( IHCHO_M_SAPRC99 ) / 'HCHO_M_SAPRC99 ' /\n DATA PNAME_REF( ICCHO_R_SAPRC99 ) / 'CCHO_R_SAPRC99 ' /\n DATA PNAME_REF( IC2CHO_SAPRC99 ) / 'C2CHO_SAPRC99 ' /\n DATA PNAME_REF( IACETONE_SAPRC99 ) / 'ACETONE_SAPRC99 ' /\n DATA PNAME_REF( IKETONE_SAPRC99 ) / 'KETONE_SAPRC99 ' /\n DATA PNAME_REF( ICOOH_SAPRC99 ) / 'COOH_SAPRC99 ' /\n DATA PNAME_REF( IGLY_R_SAPRC99 ) / 'GLY_R_SAPRC99 ' /\n DATA PNAME_REF( IGLY_ABS_SAPRC99 ) / 'GLY_ABS_SAPRC99 ' /\n DATA PNAME_REF( IMGLY_ADJ_SAPRC99 ) / 'MGLY_ADJ_SAPRC99' /\n DATA PNAME_REF( IBACL_ADJ_SAPRC99 ) / 'BACL_ADJ_SAPRC99' /\n DATA PNAME_REF( IBZCHO_SAPRC99 ) / 'BZCHO_SAPRC99 ' /\n DATA PNAME_REF( IACROLEIN_SAPRC99 ) / 'ACROLEIN_SAPRC99' /\n DATA PNAME_REF( IIC3ONO2_SAPRC99 ) / 'IC3ONO2_SAPRC99 ' /\n DATA PNAME_REF( IMGLY_ABS_SAPRC99 ) / 'MGLY_ABS_SAPRC99' /\n DATA PNAME_REF( IO3_O3P_IUPAC04 ) / 'O3_O3P_IUPAC04 ' /\n DATA PNAME_REF( IO3_O1D_IUPAC04 ) / 'O3_O1D_IUPAC04 ' /\n DATA PNAME_REF( IHONO_IUPAC04 ) / 'HONO_IUPAC04 ' /\n DATA PNAME_REF( IHO2NO2_IUPAC04 ) / 'HO2NO2_IUPAC04 ' /\n DATA PNAME_REF( IHNO3_IUPAC04 ) / 'HNO3_IUPAC04 ' /\n DATA PNAME_REF( IN2O5_IUPAC04 ) / 'N2O5_IUPAC04 ' /\n DATA PNAME_REF( INTR_IUPAC04 ) / 'NTR_IUPAC04 ' /\n DATA PNAME_REF( IPAN_IUPAC04 ) / 'PAN_IUPAC04 ' /\n DATA PNAME_REF( IPACD_CB05 ) / 'PACD_CB05 ' /\n DATA PNAME_REF( IMGLY_IUPAC04 ) / 'MGLY_IUPAC04 ' /\n DATA PNAME_REF( ICL2_IUPAC04 ) / 'CL2_IUPAC04 ' /\n DATA PNAME_REF( IHOCL_IUPAC04 ) / 'HOCL_IUPAC04 ' /\n DATA PNAME_REF( IFMCL_IUPAC04 ) / 'FMCL_IUPAC04 ' /\n DATA PNAME_REF( INO2 ) / 'NO2 ' /\n DATA PNAME_REF( IO3O1D ) / 'O3O1D ' /\n DATA PNAME_REF( IO3O3P ) / 'O3O3P ' /\n DATA PNAME_REF( IKETONE ) / 'KETONE ' /\n DATA PNAME_REF( IMGLY_ABS ) / 'MGLY_ABS ' /\n DATA PNAME_REF( IMGLY_ADJ ) / 'MGLY_ADJ ' /\n DATA PNAME_REF( IACETONE ) / 'ACETONE ' /\n\nC...Setup the Mapping from CMAQ chemical reactions to the reference data\n\n INTEGER, PARAMETER :: NPHOT_MAP = 84 ! # phot mapped reactions \n\n CHARACTER(16), SAVE :: PNAME_MAP( NPHOT_MAP )\n INTEGER, SAVE :: PHOT_MAP( NPHOT_MAP )\n\n DATA PNAME_MAP( 1 ), PHOT_MAP( 1 ) / 'NO2-06 ', INO2_06 / \n DATA PNAME_MAP( 2 ), PHOT_MAP( 2 ) / 'NO3NO-06 ', INO3NO_06 / \n DATA PNAME_MAP( 3 ), PHOT_MAP( 3 ) / 'NO3NO2-6 ', INO3NO2_6 / \n DATA PNAME_MAP( 4 ), PHOT_MAP( 4 ) / 'O3O1D-06 ', IO3O1D_06 / \n DATA PNAME_MAP( 5 ), PHOT_MAP( 5 ) / 'O3O3P-06 ', IO3O3P_06 / \n DATA PNAME_MAP( 6 ), PHOT_MAP( 6 ) / 'HONO-06 ', IHONO_06 / \n DATA PNAME_MAP( 7 ), PHOT_MAP( 7 ) / 'HNO3 ', IHNO3 / \n DATA PNAME_MAP( 8 ), PHOT_MAP( 8 ) / 'HNO4-06 ', IHNO4_06 / \n DATA PNAME_MAP( 9 ), PHOT_MAP( 9 ) / 'H2O2 ', IH2O2 / \n DATA PNAME_MAP( 10 ), PHOT_MAP( 10 ) / 'NO2EX ', INO2EX / \n DATA PNAME_MAP( 11 ), PHOT_MAP( 11 ) / 'PAN ', IPAN / \n DATA PNAME_MAP( 12 ), PHOT_MAP( 12 ) / 'HCHOR-06 ', IHCHOR_06 / \n DATA PNAME_MAP( 13 ), PHOT_MAP( 13 ) / 'HCHOM-06 ', IHCHOM_06 / \n DATA PNAME_MAP( 14 ), PHOT_MAP( 14 ) / 'CCHO_R ', ICCHO_R / \n DATA PNAME_MAP( 15 ), PHOT_MAP( 15 ) / 'C2CHO ', IC2CHO / \n DATA PNAME_MAP( 16 ), PHOT_MAP( 16 ) / 'ACET-06 ', IACET_06 / \n DATA PNAME_MAP( 17 ), PHOT_MAP( 17 ) / 'MEK-06 ', IMEK_06 / \n DATA PNAME_MAP( 18 ), PHOT_MAP( 18 ) / 'COOH ', ICOOH / \n DATA PNAME_MAP( 19 ), PHOT_MAP( 19 ) / 'GLY-07R ', IGLY_07R / \n DATA PNAME_MAP( 20 ), PHOT_MAP( 20 ) / 'GLY-07M ', IGLY_07M / \n DATA PNAME_MAP( 21 ), PHOT_MAP( 21 ) / 'MGLY-06 ', IMGLY_06 / \n DATA PNAME_MAP( 22 ), PHOT_MAP( 22 ) / 'BACL-07 ', IBACL_07 / \n DATA PNAME_MAP( 23 ), PHOT_MAP( 23 ) / 'BALD-06 ', IBALD_06 / \n DATA PNAME_MAP( 24 ), PHOT_MAP( 24 ) / 'AFG1 ', IAFG1 / \n DATA PNAME_MAP( 25 ), PHOT_MAP( 25 ) / 'MACR-06 ', IMACR_06 / \n DATA PNAME_MAP( 26 ), PHOT_MAP( 26 ) / 'MVK-06 ', IMVK_06 / \n DATA PNAME_MAP( 27 ), PHOT_MAP( 27 ) / 'IC3ONO2 ', IIC3ONO2 / \n DATA PNAME_MAP( 28 ), PHOT_MAP( 28 ) / 'HOCCHO_IUPAC ', IHOCCHO_IUPAC / \n DATA PNAME_MAP( 29 ), PHOT_MAP( 29 ) / 'ACRO-09 ', IACRO_09 / \n DATA PNAME_MAP( 30 ), PHOT_MAP( 30 ) / 'PAA ', IPAA / \n DATA PNAME_MAP( 31 ), PHOT_MAP( 31 ) / 'CL2 ', ICL2 / \n DATA PNAME_MAP( 32 ), PHOT_MAP( 32 ) / 'CLNO-06 ', ICLNO_06 / \n DATA PNAME_MAP( 33 ), PHOT_MAP( 33 ) / 'CLONO ', ICLONO / \n DATA PNAME_MAP( 34 ), PHOT_MAP( 34 ) / 'CLNO2 ', ICLNO2 / \n DATA PNAME_MAP( 35 ), PHOT_MAP( 35 ) / 'CLONO2-1 ', ICLONO2_1 / \n DATA PNAME_MAP( 36 ), PHOT_MAP( 36 ) / 'CLONO2-2 ', ICLONO2_2 / \n DATA PNAME_MAP( 37 ), PHOT_MAP( 37 ) / 'HOCL-06 ', IHOCL_06 / \n DATA PNAME_MAP( 38 ), PHOT_MAP( 38 ) / 'CLCCHO ', ICLCCHO / \n DATA PNAME_MAP( 39 ), PHOT_MAP( 39 ) / 'CLACET ', ICLACET / \n DATA PNAME_MAP( 40 ), PHOT_MAP( 40 ) / 'NO2_SAPRC99 ', INO2_SAPRC99 / \n DATA PNAME_MAP( 41 ), PHOT_MAP( 41 ) / 'NO3NO_SAPRC99 ', INO3NO_SAPRC99 / \n DATA PNAME_MAP( 42 ), PHOT_MAP( 42 ) / 'NO3NO2_SAPRC99 ', INO3NO2_SAPRC99 / \n DATA PNAME_MAP( 43 ), PHOT_MAP( 43 ) / 'O3O3P_SAPRC99 ', IO3O3P_SAPRC99 / \n DATA PNAME_MAP( 44 ), PHOT_MAP( 44 ) / 'O3O1D_SAPRC99 ', IO3O1D_SAPRC99 / \n DATA PNAME_MAP( 45 ), PHOT_MAP( 45 ) / 'HONO_NO_SAPRC99 ', IHONO_NO_SAPRC99 / \n DATA PNAME_MAP( 46 ), PHOT_MAP( 46 ) / 'HONO_NO2_SAPRC99', IHONO_NO2_SAPRC99 / \n DATA PNAME_MAP( 47 ), PHOT_MAP( 47 ) / 'HNO3_SAPRC99 ', IHNO3_SAPRC99 / \n DATA PNAME_MAP( 48 ), PHOT_MAP( 48 ) / 'HO2NO2_SAPRC99 ', IHO2NO2_SAPRC99 / \n DATA PNAME_MAP( 49 ), PHOT_MAP( 49 ) / 'H2O2_SAPRC99 ', IH2O2_SAPRC99 / \n DATA PNAME_MAP( 50 ), PHOT_MAP( 50 ) / 'HCHO_R_SAPRC99 ', IHCHO_R_SAPRC99 / \n DATA PNAME_MAP( 51 ), PHOT_MAP( 51 ) / 'HCHO_M_SAPRC99 ', IHCHO_M_SAPRC99 / \n DATA PNAME_MAP( 52 ), PHOT_MAP( 52 ) / 'CCHO_R_SAPRC99 ', ICCHO_R_SAPRC99 / \n DATA PNAME_MAP( 53 ), PHOT_MAP( 53 ) / 'C2CHO_SAPRC99 ', IC2CHO_SAPRC99 / \n DATA PNAME_MAP( 54 ), PHOT_MAP( 54 ) / 'ACETONE_SAPRC99 ', IACETONE_SAPRC99 / \n DATA PNAME_MAP( 55 ), PHOT_MAP( 55 ) / 'KETONE_SAPRC99 ', IKETONE_SAPRC99 / \n DATA PNAME_MAP( 56 ), PHOT_MAP( 56 ) / 'COOH_SAPRC99 ', ICOOH_SAPRC99 / \n DATA PNAME_MAP( 57 ), PHOT_MAP( 57 ) / 'GLY_R_SAPRC99 ', IGLY_R_SAPRC99 / \n DATA PNAME_MAP( 58 ), PHOT_MAP( 58 ) / 'GLY_ABS_SAPRC99 ', IGLY_ABS_SAPRC99 / \n DATA PNAME_MAP( 59 ), PHOT_MAP( 59 ) / 'MGLY_ADJ_SAPRC99', IMGLY_ADJ_SAPRC99 / \n DATA PNAME_MAP( 60 ), PHOT_MAP( 60 ) / 'BACL_ADJ_SAPRC99', IBACL_ADJ_SAPRC99 / \n DATA PNAME_MAP( 61 ), PHOT_MAP( 61 ) / 'BZCHO_SAPRC99 ', IBZCHO_SAPRC99 / \n DATA PNAME_MAP( 62 ), PHOT_MAP( 62 ) / 'ACROLEIN_SAPRC99', IACROLEIN_SAPRC99 / \n DATA PNAME_MAP( 63 ), PHOT_MAP( 63 ) / 'IC3ONO2_SAPRC99 ', IIC3ONO2_SAPRC99 / \n DATA PNAME_MAP( 64 ), PHOT_MAP( 64 ) / 'MGLY_ABS_SAPRC99', IMGLY_ABS_SAPRC99 / \n DATA PNAME_MAP( 65 ), PHOT_MAP( 65 ) / 'O3_O3P_IUPAC04 ', IO3_O3P_IUPAC04 / \n DATA PNAME_MAP( 66 ), PHOT_MAP( 66 ) / 'O3_O1D_IUPAC04 ', IO3_O1D_IUPAC04 / \n DATA PNAME_MAP( 67 ), PHOT_MAP( 67 ) / 'HONO_IUPAC04 ', IHONO_IUPAC04 / \n DATA PNAME_MAP( 68 ), PHOT_MAP( 68 ) / 'HO2NO2_IUPAC04 ', IHO2NO2_IUPAC04 / \n DATA PNAME_MAP( 69 ), PHOT_MAP( 69 ) / 'HNO3_IUPAC04 ', IHNO3_IUPAC04 / \n DATA PNAME_MAP( 70 ), PHOT_MAP( 70 ) / 'N2O5_IUPAC04 ', IN2O5_IUPAC04 / \n DATA PNAME_MAP( 71 ), PHOT_MAP( 71 ) / 'NTR_IUPAC04 ', INTR_IUPAC04 / \n DATA PNAME_MAP( 72 ), PHOT_MAP( 72 ) / 'PAN_IUPAC04 ', IPAN_IUPAC04 / \n DATA PNAME_MAP( 73 ), PHOT_MAP( 73 ) / 'PACD_CB05 ', IPACD_CB05 / \n DATA PNAME_MAP( 74 ), PHOT_MAP( 74 ) / 'MGLY_IUPAC04 ', IMGLY_IUPAC04 / \n DATA PNAME_MAP( 75 ), PHOT_MAP( 75 ) / 'CL2_IUPAC04 ', ICL2_IUPAC04 / \n DATA PNAME_MAP( 76 ), PHOT_MAP( 76 ) / 'HOCL_IUPAC04 ', IHOCL_IUPAC04 / \n DATA PNAME_MAP( 77 ), PHOT_MAP( 77 ) / 'FMCL_IUPAC04 ', IFMCL_IUPAC04 / \n DATA PNAME_MAP( 78 ), PHOT_MAP( 78 ) / 'NO2 ', INO2 / \n DATA PNAME_MAP( 79 ), PHOT_MAP( 79 ) / 'O3O1D ', IO3O1D / \n DATA PNAME_MAP( 80 ), PHOT_MAP( 80 ) / 'O3O3P ', IO3O3P / \n DATA PNAME_MAP( 81 ), PHOT_MAP( 81 ) / 'KETONE ', IKETONE / \n DATA PNAME_MAP( 82 ), PHOT_MAP( 82 ) / 'MGLY_ABS ', IMGLY_ABS / \n DATA PNAME_MAP( 83 ), PHOT_MAP( 83 ) / 'MGLY_ADJ ', IMGLY_ADJ / \n DATA PNAME_MAP( 84 ), PHOT_MAP( 84 ) / 'ACETONE ', IACETONE / \n\n REAL, SAVE :: TEMP_REF( NTEMP_REF, NPHOT_REF ) ! reference temperatures\n\n REAL, SAVE :: CS_REF( NPHOT_REF, NTEMP_REF, NWL_REF ) ! effective cross sections\n\n REAL, SAVE :: QY_REF( NPHOT_REF, NTEMP_REF, NWL_REF ) ! effective quantum yields\n\n REAL, SAVE :: ECS_REF( NPHOT_REF, NTEMP_REF, NWL_REF ) ! CS*QY averaged UCI Solar Flux\n\nC... effective quantum yields were computed by performing separate\nC... interval integrations for the cross sections and for the\nC... effective cross sections (cs*qy) (calculated on the finer\nC... wavelength grid. The effective quantum yield values\nC... were then calculated for the 7 wavelength intervals by \nC... dividing the effective cross sections by the interval average\nC... cross sections (eQY=eCS/CS).\n\n REAL, SAVE :: EQY_REF( NPHOT_REF, NTEMP_REF, NWL_REF ) ! eCS/CS averaged 77 bins in UCI Model\n\n\n INTEGER :: IWLR ! wavelength loop variable\n INTEGER :: ITTR ! temperature loop variable\n\nC...NO2-06\nC.. NO2 + HV = NO + O\nC.. From NASA (2006).\nC.. Absorption cross sections are averages for wavelength intervals given.\nC.. Data alligned to smallest wavelength intervals for abs. coefs and qy's.\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, INO2_06 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( INO2_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.076237E-19, 1.482865E-19, 1.884280E-19, 2.269908E-19, \n & 3.422504E-19, 5.707211E-19, 2.476857E-20 /\n DATA ( CS_REF( INO2_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.076237E-19, 1.482865E-19, 1.884280E-19, 2.269908E-19, \n & 3.422504E-19, 5.707211E-19, 2.476857E-20 /\n DATA ( CS_REF( INO2_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.076237E-19, 1.482865E-19, 1.884280E-19, 2.269908E-19, \n & 3.422504E-19, 5.707211E-19, 2.476857E-20 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( INO2_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 8.354442E-01, 1.556473E-03 /\n DATA ( QY_REF( INO2_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 8.354442E-01, 1.556473E-03 /\n DATA ( QY_REF( INO2_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 8.354442E-01, 1.556473E-03 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( INO2_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.076237E-19, 1.482865E-19, 1.884280E-19, 2.269908E-19, \n & 3.422504E-19, 4.705641E-19, 9.288722E-22 /\n DATA ( ECS_REF( INO2_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.076237E-19, 1.482865E-19, 1.884280E-19, 2.269908E-19, \n & 3.422504E-19, 4.705641E-19, 9.288722E-22 /\n DATA ( ECS_REF( INO2_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.076237E-19, 1.482865E-19, 1.884280E-19, 2.269908E-19, \n & 3.422504E-19, 4.705641E-19, 9.288722E-22 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( INO2_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 8.245080E-01, 3.750205E-02 /\n DATA ( EQY_REF( INO2_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 8.245080E-01, 3.750205E-02 /\n DATA ( EQY_REF( INO2_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 8.245080E-01, 3.750205E-02 /\n\n\nC...NO3NO-06\nC.. NO3 + HV = NO + O2\nC.. From NASA (2006), for 298 K.\nC.. Quantum yields for wavelengths above 640 nm estimated by linear extrapolation.\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, INO3NO_06 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( INO3NO_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 5.976742E-19 /\n DATA ( CS_REF( INO3NO_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 5.976742E-19 /\n DATA ( CS_REF( INO3NO_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 5.976742E-19 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( INO3NO_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 2.239172E-02 /\n DATA ( QY_REF( INO3NO_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 2.239172E-02 /\n DATA ( QY_REF( INO3NO_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 2.239172E-02 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( INO3NO_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 9.557256E-20 /\n DATA ( ECS_REF( INO3NO_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 9.557256E-20 /\n DATA ( ECS_REF( INO3NO_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 9.557256E-20 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( INO3NO_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 1.599074E-01 /\n DATA ( EQY_REF( INO3NO_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 1.599074E-01 /\n DATA ( EQY_REF( INO3NO_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 1.599074E-01 /\n\n\nC...NO3NO2-6\nC.. NO3 + HV = NO2 + O\nC.. From NASA (2006), for 298 K.\nC.. Quantum yields for wavelengths above 640 nm estimated by linear extrapolation.\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, INO3NO2_6 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( INO3NO2_6, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 3.643271E-21, 1.341307E-18 /\n DATA ( CS_REF( INO3NO2_6, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 3.643271E-21, 1.341307E-18 /\n DATA ( CS_REF( INO3NO2_6, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 3.643271E-21, 1.341307E-18 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( INO3NO2_6, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 1.904540E-01, 5.964973E-01 /\n DATA ( QY_REF( INO3NO2_6, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 1.904540E-01, 5.964973E-01 /\n DATA ( QY_REF( INO3NO2_6, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 1.904540E-01, 5.964973E-01 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( INO3NO2_6, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 3.637229E-21, 9.265006E-19 /\n DATA ( ECS_REF( INO3NO2_6, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 3.637229E-21, 9.265006E-19 /\n DATA ( ECS_REF( INO3NO2_6, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 3.637229E-21, 9.265006E-19 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( INO3NO2_6, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 9.983416E-01, 6.907448E-01 /\n DATA ( EQY_REF( INO3NO2_6, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 9.983416E-01, 6.907448E-01 /\n DATA ( EQY_REF( INO3NO2_6, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 9.983416E-01, 6.907448E-01 /\n\n\nC...O3O1D-06\nC.. O3 + HV = O1D + O2\nC.. NASA (2006) abs. Coefs and IUPAC (2006) quantum yields\nC.. Absorption cross sections from NASA (2006).\nC.. Quantum yields are from IUPAC (2006) recommendation, interpolated\nC.. to the NASA (2006) absorption cross section wavelengths.\nC.. NASA (2006) does not give useable recommendations for the absorption\nC.. cross sections, except at <305 and >329 nm, where they are consistent\nC.. with the IUPAC recommendations.\nC.. Formation of O1D assumed not to occur at the high wavelength band.\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IO3O1D_06 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IO3O1D_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.519092E-19, 2.756369E-19, 1.058103E-19, 4.660382E-20, \n & 6.954922E-21, 6.413300E-23, 0.000000E+00 /\n DATA ( CS_REF( IO3O1D_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 8.519092E-19, 2.756369E-19, 1.058103E-19, 4.660382E-20, \n & 6.954922E-21, 6.413300E-23, 0.000000E+00 /\n DATA ( CS_REF( IO3O1D_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 8.519092E-19, 2.756369E-19, 1.058103E-19, 4.660382E-20, \n & 6.954922E-21, 6.413300E-23, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IO3O1D_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.000000E-01, 8.926651E-01, 5.311664E-01, 2.227850E-01, \n & 8.767726E-02, 4.585904E-02, 0.000000E+00 /\n DATA ( QY_REF( IO3O1D_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 9.000000E-01, 8.926651E-01, 5.311664E-01, 2.227850E-01, \n & 8.767726E-02, 4.585904E-02, 0.000000E+00 /\n DATA ( QY_REF( IO3O1D_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 9.000000E-01, 8.926651E-01, 5.311664E-01, 2.227850E-01, \n & 8.767726E-02, 4.585904E-02, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IO3O1D_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 7.667183E-19, 2.468925E-19, 5.994369E-20, 1.079729E-20, \n & 7.086030E-22, 5.114812E-24, 0.000000E+00 /\n DATA ( ECS_REF( IO3O1D_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 7.667183E-19, 2.468925E-19, 5.994369E-20, 1.079729E-20, \n & 7.086030E-22, 5.114812E-24, 0.000000E+00 /\n DATA ( ECS_REF( IO3O1D_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 7.667183E-19, 2.468925E-19, 5.994369E-20, 1.079729E-20, \n & 7.086030E-22, 5.114812E-24, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IO3O1D_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.000000E-01, 8.957165E-01, 5.665205E-01, 2.316824E-01, \n & 1.018851E-01, 7.975321E-02, 0.000000E+00 /\n DATA ( EQY_REF( IO3O1D_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 9.000000E-01, 8.957165E-01, 5.665205E-01, 2.316824E-01, \n & 1.018851E-01, 7.975321E-02, 0.000000E+00 /\n DATA ( EQY_REF( IO3O1D_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 9.000000E-01, 8.957165E-01, 5.665205E-01, 2.316824E-01, \n & 1.018851E-01, 7.975321E-02, 0.000000E+00 /\n\n\nC...O3O3P-06\nC.. O3 + HV = O3P + O2\nC.. Absorption cross sections from NASA (2006).\nC.. Quantum yields are derived from the O1D quantum yields in the low wavelength re\nC.. Unit quantum yields assumed in high wavelength region.\nC.. Absorption cross sections below 829 nm are extrapolated\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IO3O3P_06 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IO3O3P_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.387662E-19, 2.754982E-19, 1.058103E-19, 4.660382E-20, \n & 7.174786E-21, 7.032893E-23, 1.701844E-21 /\n DATA ( CS_REF( IO3O3P_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 8.387662E-19, 2.754982E-19, 1.058103E-19, 4.660382E-20, \n & 7.174786E-21, 7.032893E-23, 1.701844E-21 /\n DATA ( CS_REF( IO3O3P_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 8.387662E-19, 2.754982E-19, 1.058103E-19, 4.660382E-20, \n & 7.174786E-21, 7.032893E-23, 1.701844E-21 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IO3O3P_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E-01, 1.073348E-01, 4.688335E-01, 7.772150E-01, \n & 9.115356E-01, 9.541410E-01, 9.901482E-01 /\n DATA ( QY_REF( IO3O3P_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E-01, 1.073348E-01, 4.688335E-01, 7.772150E-01, \n & 9.115356E-01, 9.541410E-01, 9.901482E-01 /\n DATA ( QY_REF( IO3O3P_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E-01, 1.073348E-01, 4.688335E-01, 7.772150E-01, \n & 9.115356E-01, 9.541410E-01, 9.901482E-01 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IO3O3P_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.387662E-20, 2.873049E-20, 4.586660E-20, 3.580654E-20, \n & 6.431878E-21, 6.521411E-23, 1.701844E-21 /\n DATA ( ECS_REF( IO3O3P_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 8.387662E-20, 2.873049E-20, 4.586660E-20, 3.580654E-20, \n & 6.431878E-21, 6.521411E-23, 1.701844E-21 /\n DATA ( ECS_REF( IO3O3P_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 8.387662E-20, 2.873049E-20, 4.586660E-20, 3.580654E-20, \n & 6.431878E-21, 6.521411E-23, 1.701844E-21 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IO3O3P_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E-01, 1.042856E-01, 4.334796E-01, 7.683176E-01, \n & 8.964556E-01, 9.272730E-01, 1.000000E+00 /\n DATA ( EQY_REF( IO3O3P_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E-01, 1.042856E-01, 4.334796E-01, 7.683176E-01, \n & 8.964556E-01, 9.272730E-01, 1.000000E+00 /\n DATA ( EQY_REF( IO3O3P_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E-01, 1.042856E-01, 4.334796E-01, 7.683176E-01, \n & 8.964556E-01, 9.272730E-01, 1.000000E+00 /\n\n\nC...HONO-06\nC.. HONO + HV = HO. + NO\nC.. NASA (2006) recommended absorption cross sections. No recommendation on quantum yields.\nC.. IUPAC (2005) recommendation (Data Sheet PNOx1, July, 2001) recommends unit quantum yield\nC.. for OH + NO.\nC.. (IUPAC recommended absorption cross sections are low resolution, so NASA values are\nC.. preferred)\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IHONO_06 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IHONO_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.474359E-21, 9.278287E-21, 1.890271E-20, 3.166180E-20, \n & 8.854483E-20, 7.417380E-20, 0.000000E+00 /\n DATA ( CS_REF( IHONO_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 5.474359E-21, 9.278287E-21, 1.890271E-20, 3.166180E-20, \n & 8.854483E-20, 7.417380E-20, 0.000000E+00 /\n DATA ( CS_REF( IHONO_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 5.474359E-21, 9.278287E-21, 1.890271E-20, 3.166180E-20, \n & 8.854483E-20, 7.417380E-20, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IHONO_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 7.070430E-01, 0.000000E+00 /\n DATA ( QY_REF( IHONO_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 7.070430E-01, 0.000000E+00 /\n DATA ( QY_REF( IHONO_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 7.070430E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IHONO_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.474359E-21, 9.278287E-21, 1.890271E-20, 3.166180E-20, \n & 8.854483E-20, 7.417380E-20, 0.000000E+00 /\n DATA ( ECS_REF( IHONO_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 5.474359E-21, 9.278287E-21, 1.890271E-20, 3.166180E-20, \n & 8.854483E-20, 7.417380E-20, 0.000000E+00 /\n DATA ( ECS_REF( IHONO_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 5.474359E-21, 9.278287E-21, 1.890271E-20, 3.166180E-20, \n & 8.854483E-20, 7.417380E-20, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IHONO_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999999E-01, 0.000000E+00 /\n DATA ( EQY_REF( IHONO_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999999E-01, 0.000000E+00 /\n DATA ( EQY_REF( IHONO_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999999E-01, 0.000000E+00 /\n\n\nC...HNO3\nC.. HNO3 + HV = products\nC.. IUPAC (1997) Recommendation\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IHNO3 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IHNO3, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.351450E-21, 1.958802E-21, 8.418979E-22, 3.681581E-22, \n & 5.035483E-23, 4.637400E-25, 0.000000E+00 /\n DATA ( CS_REF( IHNO3, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.351450E-21, 1.958802E-21, 8.418979E-22, 3.681581E-22, \n & 5.035483E-23, 4.637400E-25, 0.000000E+00 /\n DATA ( CS_REF( IHNO3, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.351450E-21, 1.958802E-21, 8.418979E-22, 3.681581E-22, \n & 5.035483E-23, 4.637400E-25, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IHNO3, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.351202E-01, 0.000000E+00 /\n DATA ( QY_REF( IHNO3, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.351202E-01, 0.000000E+00 /\n DATA ( QY_REF( IHNO3, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.351202E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IHNO3, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.351450E-21, 1.958802E-21, 8.418979E-22, 3.681581E-22, \n & 5.035483E-23, 4.637264E-25, 0.000000E+00 /\n DATA ( ECS_REF( IHNO3, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.351450E-21, 1.958802E-21, 8.418979E-22, 3.681581E-22, \n & 5.035483E-23, 4.637264E-25, 0.000000E+00 /\n DATA ( ECS_REF( IHNO3, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.351450E-21, 1.958802E-21, 8.418979E-22, 3.681581E-22, \n & 5.035483E-23, 4.637264E-25, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IHNO3, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999707E-01, 0.000000E+00 /\n DATA ( EQY_REF( IHNO3, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999707E-01, 0.000000E+00 /\n DATA ( EQY_REF( IHNO3, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999707E-01, 0.000000E+00 /\n\n\nC...HNO4-06\nC.. HO2NO2 + HV = PRODUCTS\nC.. NASA (2006)\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IHNO4_06 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IHNO4_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.680126E-20, 1.175613E-20, 5.689837E-21, 3.128481E-21, \n & 8.548637E-22, 2.509431E-23, 0.000000E+00 /\n DATA ( CS_REF( IHNO4_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 2.680126E-20, 1.175613E-20, 5.689837E-21, 3.128481E-21, \n & 8.548637E-22, 2.509431E-23, 0.000000E+00 /\n DATA ( CS_REF( IHNO4_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 2.680126E-20, 1.175613E-20, 5.689837E-21, 3.128481E-21, \n & 8.548637E-22, 2.509431E-23, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IHNO4_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.964434E-01, 0.000000E+00 /\n DATA ( QY_REF( IHNO4_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.964434E-01, 0.000000E+00 /\n DATA ( QY_REF( IHNO4_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.964434E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IHNO4_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.680126E-20, 1.175613E-20, 5.689837E-21, 3.128481E-21, \n & 8.548637E-22, 2.509400E-23, 0.000000E+00 /\n DATA ( ECS_REF( IHNO4_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 2.680126E-20, 1.175613E-20, 5.689837E-21, 3.128481E-21, \n & 8.548637E-22, 2.509400E-23, 0.000000E+00 /\n DATA ( ECS_REF( IHNO4_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 2.680126E-20, 1.175613E-20, 5.689837E-21, 3.128481E-21, \n & 8.548637E-22, 2.509400E-23, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IHNO4_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999877E-01, 0.000000E+00 /\n DATA ( EQY_REF( IHNO4_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999877E-01, 0.000000E+00 /\n DATA ( EQY_REF( IHNO4_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999877E-01, 0.000000E+00 /\n\n\nC...H2O2\nC.. H2O2 + HV = 2 OH\nC.. IUPAC (1997) Recommended.\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IH2O2 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IH2O2, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.342335E-21, 5.777204E-21, 3.914159E-21, 2.732004E-21, \n & 1.162692E-21, 4.309158E-23, 0.000000E+00 /\n DATA ( CS_REF( IH2O2, 2, IWLR ), IWLR = 1, 7 ) /\n & 9.342335E-21, 5.777204E-21, 3.914159E-21, 2.732004E-21, \n & 1.162692E-21, 4.309158E-23, 0.000000E+00 /\n DATA ( CS_REF( IH2O2, 3, IWLR ), IWLR = 1, 7 ) /\n & 9.342335E-21, 5.777204E-21, 3.914159E-21, 2.732004E-21, \n & 1.162692E-21, 4.309158E-23, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IH2O2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.351202E-01, 0.000000E+00 /\n DATA ( QY_REF( IH2O2, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.351202E-01, 0.000000E+00 /\n DATA ( QY_REF( IH2O2, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.351202E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IH2O2, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.342335E-21, 5.777204E-21, 3.914159E-21, 2.732004E-21, \n & 1.162692E-21, 4.309022E-23, 0.000000E+00 /\n DATA ( ECS_REF( IH2O2, 2, IWLR ), IWLR = 1, 7 ) /\n & 9.342335E-21, 5.777204E-21, 3.914159E-21, 2.732004E-21, \n & 1.162692E-21, 4.309022E-23, 0.000000E+00 /\n DATA ( ECS_REF( IH2O2, 3, IWLR ), IWLR = 1, 7 ) /\n & 9.342335E-21, 5.777204E-21, 3.914159E-21, 2.732004E-21, \n & 1.162692E-21, 4.309022E-23, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IH2O2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999685E-01, 0.000000E+00 /\n DATA ( EQY_REF( IH2O2, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999685E-01, 0.000000E+00 /\n DATA ( EQY_REF( IH2O2, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999685E-01, 0.000000E+00 /\n\n\nC...NO2EX\nC.. NO2 + HV = NO2*\nC.. From NASA (2006), for 294 K.\nC.. Absorption cross sections are averages for wavelength intervals given.\nC.. Data alligned to smallest wavelength intervals for abs. coefs and qy's.\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, INO2EX ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( INO2EX, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.076237E-19, 1.482865E-19, 1.884280E-19, 2.269908E-19, \n & 3.422504E-19, 5.707211E-19, 1.710791E-19 /\n DATA ( CS_REF( INO2EX, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.076237E-19, 1.482865E-19, 1.884280E-19, 2.269908E-19, \n & 3.422504E-19, 5.707211E-19, 1.710791E-19 /\n DATA ( CS_REF( INO2EX, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.076237E-19, 1.482865E-19, 1.884280E-19, 2.269908E-19, \n & 3.422504E-19, 5.707211E-19, 1.710791E-19 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( INO2EX, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 1.645558E-01, 7.353834E-01 /\n DATA ( QY_REF( INO2EX, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 1.645558E-01, 7.353834E-01 /\n DATA ( QY_REF( INO2EX, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 1.645558E-01, 7.353834E-01 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( INO2EX, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 1.001570E-19, 1.701502E-19 /\n DATA ( ECS_REF( INO2EX, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 1.001570E-19, 1.701502E-19 /\n DATA ( ECS_REF( INO2EX, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 1.001570E-19, 1.701502E-19 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( INO2EX, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 1.754921E-01, 9.945703E-01 /\n DATA ( EQY_REF( INO2EX, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 1.754921E-01, 9.945703E-01 /\n DATA ( EQY_REF( INO2EX, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 1.754921E-01, 9.945703E-01 /\n\n\nC...PAN\nC.. PAN + HV = #.6 {MECO3 + NO2} + #.4 {MEO2 + CO2 + NO3}\nC.. IUPAC Data Sheet P21.updated: 12/19/05\nC.. Reaction reflects recommended quantum yields at 308 nm\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IPAN ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IPAN, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.523355E-21, 1.420651E-21, 6.704418E-22, 3.663942E-22, \n & 9.453910E-23, 1.914260E-24, 0.000000E+00 /\n DATA ( CS_REF( IPAN, 2, IWLR ), IWLR = 1, 7 ) /\n & 3.523355E-21, 1.420651E-21, 6.704418E-22, 3.663942E-22, \n & 9.453910E-23, 1.914260E-24, 0.000000E+00 /\n DATA ( CS_REF( IPAN, 3, IWLR ), IWLR = 1, 7 ) /\n & 3.523355E-21, 1.420651E-21, 6.704418E-22, 3.663942E-22, \n & 9.453910E-23, 1.914260E-24, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IPAN, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.198098E-01, 0.000000E+00 /\n DATA ( QY_REF( IPAN, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.198098E-01, 0.000000E+00 /\n DATA ( QY_REF( IPAN, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.198098E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IPAN, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.523355E-21, 1.420651E-21, 6.704418E-22, 3.663942E-22, \n & 9.453910E-23, 1.914185E-24, 0.000000E+00 /\n DATA ( ECS_REF( IPAN, 2, IWLR ), IWLR = 1, 7 ) /\n & 3.523355E-21, 1.420651E-21, 6.704418E-22, 3.663942E-22, \n & 9.453910E-23, 1.914185E-24, 0.000000E+00 /\n DATA ( ECS_REF( IPAN, 3, IWLR ), IWLR = 1, 7 ) /\n & 3.523355E-21, 1.420651E-21, 6.704418E-22, 3.663942E-22, \n & 9.453910E-23, 1.914185E-24, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IPAN, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999610E-01, 0.000000E+00 /\n DATA ( EQY_REF( IPAN, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999610E-01, 0.000000E+00 /\n DATA ( EQY_REF( IPAN, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999610E-01, 0.000000E+00 /\n\n\nC...HCHOR-06\nC.. HCHO + HV = HCO. + H.\nC.. IUPAC Subcommittee on Gas Kinetic Data Evaluation Data Sheet P1\nC.. This datasheet updated: 16th May 2002.\nC.. Website: http://www.iupac-kinetic.ch.cam.ac.uk/.\nC.. IUPAC recommendations used for both absorption cross sections and quantum yield\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IHCHOR_06 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IHCHOR_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.165459E-20, 3.244126E-20, 1.504850E-20, 3.317451E-20, \n & 1.553457E-20, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IHCHOR_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 3.165459E-20, 3.244126E-20, 1.504850E-20, 3.317451E-20, \n & 1.553457E-20, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IHCHOR_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 3.165459E-20, 3.244126E-20, 1.504850E-20, 3.317451E-20, \n & 1.553457E-20, 0.000000E+00, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IHCHOR_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 6.849613E-01, 7.181136E-01, 7.157158E-01, 6.843758E-01, \n & 2.950587E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IHCHOR_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 6.849613E-01, 7.181136E-01, 7.157158E-01, 6.843758E-01, \n & 2.950587E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IHCHOR_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 6.849613E-01, 7.181136E-01, 7.157158E-01, 6.843758E-01, \n & 2.950587E-01, 0.000000E+00, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IHCHOR_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.161663E-20, 2.354888E-20, 1.083089E-20, 2.277132E-20, \n & 5.819424E-21, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IHCHOR_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 2.161663E-20, 2.354888E-20, 1.083089E-20, 2.277132E-20, \n & 5.819424E-21, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IHCHOR_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 2.161663E-20, 2.354888E-20, 1.083089E-20, 2.277132E-20, \n & 5.819424E-21, 0.000000E+00, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IHCHOR_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 6.828910E-01, 7.258928E-01, 7.197325E-01, 6.864101E-01, \n & 3.746113E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IHCHOR_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 6.828910E-01, 7.258928E-01, 7.197325E-01, 6.864101E-01, \n & 3.746113E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IHCHOR_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 6.828910E-01, 7.258928E-01, 7.197325E-01, 6.864101E-01, \n & 3.746113E-01, 0.000000E+00, 0.000000E+00 /\n\n\nC...HCHOM-06\nC.. HCHO + HV = H2 + CO\nC.. IUPAC Subcommittee on Gas Kinetic Data Evaluation Data Sheet P1\nC.. This datasheet updated: 16th May 2002.\nC.. Website: http://www.iupac-kinetic.ch.cam.ac.uk/.\nC.. IUPAC recommendations used for both absorption cross sections and quantum yield\nC.. Quantum yields for wl < 0.360 interpolated.\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IHCHOM_06 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IHCHOM_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.165459E-20, 3.244126E-20, 1.504850E-20, 3.317451E-20, \n & 1.826654E-20, 8.630682E-22, 0.000000E+00 /\n DATA ( CS_REF( IHCHOM_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 3.165459E-20, 3.244126E-20, 1.504850E-20, 3.317451E-20, \n & 1.826654E-20, 8.630682E-22, 0.000000E+00 /\n DATA ( CS_REF( IHCHOM_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 3.165459E-20, 3.244126E-20, 1.504850E-20, 3.317451E-20, \n & 1.826654E-20, 8.630682E-22, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IHCHOM_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.957663E-01, 2.805459E-01, 2.844469E-01, 3.161261E-01, \n & 4.858848E-01, 3.593407E-02, 0.000000E+00 /\n DATA ( QY_REF( IHCHOM_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 2.957663E-01, 2.805459E-01, 2.844469E-01, 3.161261E-01, \n & 4.858848E-01, 3.593407E-02, 0.000000E+00 /\n DATA ( QY_REF( IHCHOM_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 2.957663E-01, 2.805459E-01, 2.844469E-01, 3.161261E-01, \n & 4.858848E-01, 3.593407E-02, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IHCHOM_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.454901E-21, 8.857910E-21, 4.220348E-21, 1.041737E-20, \n & 9.005958E-21, 1.384442E-22, 0.000000E+00 /\n DATA ( ECS_REF( IHCHOM_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 9.454901E-21, 8.857910E-21, 4.220348E-21, 1.041737E-20, \n & 9.005958E-21, 1.384442E-22, 0.000000E+00 /\n DATA ( ECS_REF( IHCHOM_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 9.454901E-21, 8.857910E-21, 4.220348E-21, 1.041737E-20, \n & 9.005958E-21, 1.384442E-22, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IHCHOM_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.986898E-01, 2.730446E-01, 2.804497E-01, 3.140172E-01, \n & 4.930303E-01, 1.604093E-01, 0.000000E+00 /\n DATA ( EQY_REF( IHCHOM_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 2.986898E-01, 2.730446E-01, 2.804497E-01, 3.140172E-01, \n & 4.930303E-01, 1.604093E-01, 0.000000E+00 /\n DATA ( EQY_REF( IHCHOM_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 2.986898E-01, 2.730446E-01, 2.804497E-01, 3.140172E-01, \n & 4.930303E-01, 1.604093E-01, 0.000000E+00 /\n\n\nC...CCHO_R\nC.. CCHO + HV = CH3 + CHO\nC.. IUPAC (1997)\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, ICCHO_R ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( ICCHO_R, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.431909E-20, 3.721389E-20, 2.926475E-20, 2.113278E-20, \n & 4.007796E-21, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( ICCHO_R, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.431909E-20, 3.721389E-20, 2.926475E-20, 2.113278E-20, \n & 4.007796E-21, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( ICCHO_R, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.431909E-20, 3.721389E-20, 2.926475E-20, 2.113278E-20, \n & 4.007796E-21, 0.000000E+00, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( ICCHO_R, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.837319E-01, 3.903790E-01, 2.837039E-01, 1.548971E-01, \n & 1.542570E-02, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( ICCHO_R, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.837319E-01, 3.903790E-01, 2.837039E-01, 1.548971E-01, \n & 1.542570E-02, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( ICCHO_R, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.837319E-01, 3.903790E-01, 2.837039E-01, 1.548971E-01, \n & 1.542570E-02, 0.000000E+00, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( ICCHO_R, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.146492E-20, 1.463071E-20, 8.383887E-21, 3.363618E-21, \n & 1.911978E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( ICCHO_R, 2, IWLR ), IWLR = 1, 7 ) /\n & 2.146492E-20, 1.463071E-20, 8.383887E-21, 3.363618E-21, \n & 1.911978E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( ICCHO_R, 3, IWLR ), IWLR = 1, 7 ) /\n & 2.146492E-20, 1.463071E-20, 8.383887E-21, 3.363618E-21, \n & 1.911978E-22, 0.000000E+00, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( ICCHO_R, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.843267E-01, 3.931520E-01, 2.864842E-01, 1.591659E-01, \n & 4.770647E-02, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( ICCHO_R, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.843267E-01, 3.931520E-01, 2.864842E-01, 1.591659E-01, \n & 4.770647E-02, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( ICCHO_R, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.843267E-01, 3.931520E-01, 2.864842E-01, 1.591659E-01, \n & 4.770647E-02, 0.000000E+00, 0.000000E+00 /\n\n\nC...C2CHO\nC.. C2CHO + HV = C2H5. + CHO.\nC.. IUPAC (1997)\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IC2CHO ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IC2CHO, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.167935E-20, 4.637920E-20, 3.576927E-20, 2.454658E-20, \n & 6.109313E-21, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IC2CHO, 2, IWLR ), IWLR = 1, 7 ) /\n & 3.167935E-20, 4.637920E-20, 3.576927E-20, 2.454658E-20, \n & 6.109313E-21, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IC2CHO, 3, IWLR ), IWLR = 1, 7 ) /\n & 3.167935E-20, 4.637920E-20, 3.576927E-20, 2.454658E-20, \n & 6.109313E-21, 0.000000E+00, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IC2CHO, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.201593E-01, 7.958030E-01, 5.938827E-01, 4.325821E-01, \n & 1.575024E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IC2CHO, 2, IWLR ), IWLR = 1, 7 ) /\n & 5.201593E-01, 7.958030E-01, 5.938827E-01, 4.325821E-01, \n & 1.575024E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IC2CHO, 3, IWLR ), IWLR = 1, 7 ) /\n & 5.201593E-01, 7.958030E-01, 5.938827E-01, 4.325821E-01, \n & 1.575024E-01, 0.000000E+00, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IC2CHO, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.779956E-20, 3.718655E-20, 2.127446E-20, 1.085955E-20, \n & 1.479962E-21, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IC2CHO, 2, IWLR ), IWLR = 1, 7 ) /\n & 2.779956E-20, 3.718655E-20, 2.127446E-20, 1.085955E-20, \n & 1.479962E-21, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IC2CHO, 3, IWLR ), IWLR = 1, 7 ) /\n & 2.779956E-20, 3.718655E-20, 2.127446E-20, 1.085955E-20, \n & 1.479962E-21, 0.000000E+00, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IC2CHO, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.775294E-01, 8.017938E-01, 5.947691E-01, 4.424057E-01, \n & 2.422470E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IC2CHO, 2, IWLR ), IWLR = 1, 7 ) /\n & 8.775294E-01, 8.017938E-01, 5.947691E-01, 4.424057E-01, \n & 2.422470E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IC2CHO, 3, IWLR ), IWLR = 1, 7 ) /\n & 8.775294E-01, 8.017938E-01, 5.947691E-01, 4.424057E-01, \n & 2.422470E-01, 0.000000E+00, 0.000000E+00 /\n\n\nC...ACET-06\nC.. CH3-CO-CH3 + HV = Radical products\nC.. IUPAC Subcommittee on Gas Kinetic Data Evaluation Data Sheet P7\nC.. This datasheet updated: 19th December 2005.\nC.. Website: http://www.iupac-kinetic.ch.cam.ac.uk/.\nC.. IUPAC recommendations used for both absorption cross sections and quantum yield\nC.. Cross sections and quantum yields are for 298K only.\nC.. Uncertain whether the cross sections are calculated correctly from the complex\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IACET_06 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IACET_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.460821E-20, 2.278628E-20, 1.362906E-20, 7.428147E-21, \n & 9.464437E-22, 9.957367E-25, 0.000000E+00 /\n DATA ( CS_REF( IACET_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 3.460821E-20, 2.278628E-20, 1.362906E-20, 7.428147E-21, \n & 9.464437E-22, 9.957367E-25, 0.000000E+00 /\n DATA ( CS_REF( IACET_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 3.460821E-20, 2.278628E-20, 1.362906E-20, 7.428147E-21, \n & 9.464437E-22, 9.957367E-25, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IACET_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.454557E-01, 2.098742E-01, 8.525195E-02, 3.909341E-02, \n & 9.695551E-03, 1.622317E-04, 0.000000E+00 /\n DATA ( QY_REF( IACET_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 3.454557E-01, 2.098742E-01, 8.525195E-02, 3.909341E-02, \n & 9.695551E-03, 1.622317E-04, 0.000000E+00 /\n DATA ( QY_REF( IACET_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 3.454557E-01, 2.098742E-01, 8.525195E-02, 3.909341E-02, \n & 9.695551E-03, 1.622317E-04, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IACET_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.205182E-20, 4.966170E-21, 1.192478E-21, 3.105726E-22, \n & 1.545213E-23, 2.812016E-27, 0.000000E+00 /\n DATA ( ECS_REF( IACET_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.205182E-20, 4.966170E-21, 1.192478E-21, 3.105726E-22, \n & 1.545213E-23, 2.812016E-27, 0.000000E+00 /\n DATA ( ECS_REF( IACET_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.205182E-20, 4.966170E-21, 1.192478E-21, 3.105726E-22, \n & 1.545213E-23, 2.812016E-27, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IACET_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.482358E-01, 2.179456E-01, 8.749527E-02, 4.181024E-02, \n & 1.632652E-02, 2.824056E-03, 0.000000E+00 /\n DATA ( EQY_REF( IACET_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 3.482358E-01, 2.179456E-01, 8.749527E-02, 4.181024E-02, \n & 1.632652E-02, 2.824056E-03, 0.000000E+00 /\n DATA ( EQY_REF( IACET_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 3.482358E-01, 2.179456E-01, 8.749527E-02, 4.181024E-02, \n & 1.632652E-02, 2.824056E-03, 0.000000E+00 /\n\n\nC...MEK-06\nC.. MEK absorption cross sections\nC.. IUPAC Subcommittee on Gas Kinetic Data Evaluation Data Sheet P8\nC.. This datasheet updated: 5th December 2005.\nC.. Website: http://www.iupac-kinetic.ch.cam.ac.uk/.\nC.. Note that recommended quantum yield is 0.34 and SAPRC07T sets\nC.. value to 0.175 in mechanism definition file\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IMEK_06 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IMEK_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.163253E-20, 2.690433E-20, 1.567194E-20, 7.784590E-21, \n & 8.652938E-22, 1.986233E-25, 0.000000E+00 /\n DATA ( CS_REF( IMEK_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.163253E-20, 2.690433E-20, 1.567194E-20, 7.784590E-21, \n & 8.652938E-22, 1.986233E-25, 0.000000E+00 /\n DATA ( CS_REF( IMEK_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.163253E-20, 2.690433E-20, 1.567194E-20, 7.784590E-21, \n & 8.652938E-22, 1.986233E-25, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IMEK_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 2.689541E-02, 0.000000E+00 /\n DATA ( QY_REF( IMEK_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 2.689541E-02, 0.000000E+00 /\n DATA ( QY_REF( IMEK_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 2.689541E-02, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IMEK_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.163253E-20, 2.690433E-20, 1.567194E-20, 7.784590E-21, \n & 8.652938E-22, 1.984605E-25, 0.000000E+00 /\n DATA ( ECS_REF( IMEK_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.163253E-20, 2.690433E-20, 1.567194E-20, 7.784590E-21, \n & 8.652938E-22, 1.984605E-25, 0.000000E+00 /\n DATA ( ECS_REF( IMEK_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.163253E-20, 2.690433E-20, 1.567194E-20, 7.784590E-21, \n & 8.652938E-22, 1.984605E-25, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IMEK_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.991803E-01, 0.000000E+00 /\n DATA ( EQY_REF( IMEK_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.991803E-01, 0.000000E+00 /\n DATA ( EQY_REF( IMEK_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.991803E-01, 0.000000E+00 /\n\n\nC...COOH\nC.. CH3OOH + HV = PRODUCTS\nC.. IUPAC (1997). Also recommend unit quantum yields.\nC.. wl abs qy\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, ICOOH ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( ICOOH, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.617454E-21, 3.528208E-21, 2.405066E-21, 1.705886E-21, \n & 7.383624E-22, 6.232370E-23, 0.000000E+00 /\n DATA ( CS_REF( ICOOH, 2, IWLR ), IWLR = 1, 7 ) /\n & 5.617454E-21, 3.528208E-21, 2.405066E-21, 1.705886E-21, \n & 7.383624E-22, 6.232370E-23, 0.000000E+00 /\n DATA ( CS_REF( ICOOH, 3, IWLR ), IWLR = 1, 7 ) /\n & 5.617454E-21, 3.528208E-21, 2.405066E-21, 1.705886E-21, \n & 7.383624E-22, 6.232370E-23, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( ICOOH, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 3.407560E-01, 0.000000E+00 /\n DATA ( QY_REF( ICOOH, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 3.407560E-01, 0.000000E+00 /\n DATA ( QY_REF( ICOOH, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 3.407560E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( ICOOH, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.617454E-21, 3.528208E-21, 2.405066E-21, 1.705886E-21, \n & 7.383624E-22, 6.232326E-23, 0.000000E+00 /\n DATA ( ECS_REF( ICOOH, 2, IWLR ), IWLR = 1, 7 ) /\n & 5.617454E-21, 3.528208E-21, 2.405066E-21, 1.705886E-21, \n & 7.383624E-22, 6.232326E-23, 0.000000E+00 /\n DATA ( ECS_REF( ICOOH, 3, IWLR ), IWLR = 1, 7 ) /\n & 5.617454E-21, 3.528208E-21, 2.405066E-21, 1.705886E-21, \n & 7.383624E-22, 6.232326E-23, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( ICOOH, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999929E-01, 0.000000E+00 /\n DATA ( EQY_REF( ICOOH, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999929E-01, 0.000000E+00 /\n DATA ( EQY_REF( ICOOH, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999929E-01, 0.000000E+00 /\n\n\nC...GLY-07R\nC.. HCOCHO + HV = HCO. + HCO.\nC.. Absorption cross sections from Volkamer, R., P. Spietz, J. Burrows, and\nC.. U. Platt (2005): \"High-resolution absorption cross sections of glyoxal\nC.. in the UV-vis and IR spectral ranges,\" J. Photochem. Photobiol. A, 172\nC.. 35-46. Quantum yields at wavelengths below 350 nm based on the data of\nC.. Zhu et al (1996) which are consistent with the data of Langford and\nC.. Moore (1984). Quantum yields at higher wavelengths assumed to decline\nC.. expodentially with wavelength at a rate that gives a photolysis rate\nC.. relative to NO2 consistent with the data of Klotz et al (2000).\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IGLY_07R ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IGLY_07R, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.793907E-20, 3.576577E-20, 3.196227E-20, 2.588874E-20, \n & 1.131968E-20, 2.589663E-20, 1.938750E-20 /\n DATA ( CS_REF( IGLY_07R, 2, IWLR ), IWLR = 1, 7 ) /\n & 3.793907E-20, 3.576577E-20, 3.196227E-20, 2.588874E-20, \n & 1.131968E-20, 2.589663E-20, 1.938750E-20 /\n DATA ( CS_REF( IGLY_07R, 3, IWLR ), IWLR = 1, 7 ) /\n & 3.793907E-20, 3.576577E-20, 3.196227E-20, 2.588874E-20, \n & 1.131968E-20, 2.589663E-20, 1.938750E-20 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IGLY_07R, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.321870E-01, 3.435464E-01, 3.693566E-01, 4.280283E-01, \n & 5.810962E-01, 2.622190E-01, 2.601158E-03 /\n DATA ( QY_REF( IGLY_07R, 2, IWLR ), IWLR = 1, 7 ) /\n & 3.321870E-01, 3.435464E-01, 3.693566E-01, 4.280283E-01, \n & 5.810962E-01, 2.622190E-01, 2.601158E-03 /\n DATA ( QY_REF( IGLY_07R, 3, IWLR ), IWLR = 1, 7 ) /\n & 3.321870E-01, 3.435464E-01, 3.693566E-01, 4.280283E-01, \n & 5.810962E-01, 2.622190E-01, 2.601158E-03 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IGLY_07R, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.260643E-20, 1.227545E-20, 1.181427E-20, 1.097191E-20, \n & 6.261264E-21, 3.119572E-21, 2.621976E-22 /\n DATA ( ECS_REF( IGLY_07R, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.260643E-20, 1.227545E-20, 1.181427E-20, 1.097191E-20, \n & 6.261264E-21, 3.119572E-21, 2.621976E-22 /\n DATA ( ECS_REF( IGLY_07R, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.260643E-20, 1.227545E-20, 1.181427E-20, 1.097191E-20, \n & 6.261264E-21, 3.119572E-21, 2.621976E-22 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IGLY_07R, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.322810E-01, 3.432177E-01, 3.696319E-01, 4.238100E-01, \n & 5.531310E-01, 1.204625E-01, 1.352405E-02 /\n DATA ( EQY_REF( IGLY_07R, 2, IWLR ), IWLR = 1, 7 ) /\n & 3.322810E-01, 3.432177E-01, 3.696319E-01, 4.238100E-01, \n & 5.531310E-01, 1.204625E-01, 1.352405E-02 /\n DATA ( EQY_REF( IGLY_07R, 3, IWLR ), IWLR = 1, 7 ) /\n & 3.322810E-01, 3.432177E-01, 3.696319E-01, 4.238100E-01, \n & 5.531310E-01, 1.204625E-01, 1.352405E-02 /\n\n\nC...GLY-07M\nC.. HCOCHO + HV = HCHO + H2\nC.. Absorption cross sections from Volkamer, R., P. Spietz, J. Burrows,\nC.. and U. Platt (2005): \"High-resolution absorption cross sections of\nC.. glyoxal in the UV-vis and IR spectral ranges,\" J. Photochem. Photobiol.\nC.. A, 172 35-46. Quantum yields at wavelengths below 350 nm derived from\nC.. those used for the radical forming process assuming total quantum\nC.. yields of 1. Quantum yields at higher wavelengths assumed to decline\nC.. expodentially at a rate that gives a 13% formaldehyde yield telative to\nC.. photodecomposition under the conditions of Plum et al (1983).\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IGLY_07M ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IGLY_07M, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.793907E-20, 3.576577E-20, 3.196227E-20, 2.588874E-20, \n & 1.131968E-20, 2.589663E-20, 7.146744E-21 /\n DATA ( CS_REF( IGLY_07M, 2, IWLR ), IWLR = 1, 7 ) /\n & 3.793907E-20, 3.576577E-20, 3.196227E-20, 2.588874E-20, \n & 1.131968E-20, 2.589663E-20, 7.146744E-21 /\n DATA ( CS_REF( IGLY_07M, 3, IWLR ), IWLR = 1, 7 ) /\n & 3.793907E-20, 3.576577E-20, 3.196227E-20, 2.588874E-20, \n & 1.131968E-20, 2.589663E-20, 7.146744E-21 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IGLY_07M, 1, IWLR ), IWLR = 1, 7 ) /\n & 6.678130E-01, 6.564536E-01, 6.306653E-01, 5.720885E-01, \n & 4.189721E-01, 6.740002E-02, 1.018117E-04 /\n DATA ( QY_REF( IGLY_07M, 2, IWLR ), IWLR = 1, 7 ) /\n & 6.678130E-01, 6.564536E-01, 6.306653E-01, 5.720885E-01, \n & 4.189721E-01, 6.740002E-02, 1.018117E-04 /\n DATA ( QY_REF( IGLY_07M, 3, IWLR ), IWLR = 1, 7 ) /\n & 6.678130E-01, 6.564536E-01, 6.306653E-01, 5.720885E-01, \n & 4.189721E-01, 6.740002E-02, 1.018117E-04 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IGLY_07M, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.533264E-20, 2.349032E-20, 2.014873E-20, 1.492075E-20, \n & 5.059183E-21, 5.596750E-22, 9.269946E-24 /\n DATA ( ECS_REF( IGLY_07M, 2, IWLR ), IWLR = 1, 7 ) /\n & 2.533264E-20, 2.349032E-20, 2.014873E-20, 1.492075E-20, \n & 5.059183E-21, 5.596750E-22, 9.269946E-24 /\n DATA ( ECS_REF( IGLY_07M, 3, IWLR ), IWLR = 1, 7 ) /\n & 2.533264E-20, 2.349032E-20, 2.014873E-20, 1.492075E-20, \n & 5.059183E-21, 5.596750E-22, 9.269946E-24 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IGLY_07M, 1, IWLR ), IWLR = 1, 7 ) /\n & 6.677190E-01, 6.567823E-01, 6.303911E-01, 5.763413E-01, \n & 4.469371E-01, 2.161189E-02, 1.297087E-03 /\n DATA ( EQY_REF( IGLY_07M, 2, IWLR ), IWLR = 1, 7 ) /\n & 6.677190E-01, 6.567823E-01, 6.303911E-01, 5.763413E-01, \n & 4.469371E-01, 2.161189E-02, 1.297087E-03 /\n DATA ( EQY_REF( IGLY_07M, 3, IWLR ), IWLR = 1, 7 ) /\n & 6.677190E-01, 6.567823E-01, 6.303911E-01, 5.763413E-01, \n & 4.469371E-01, 2.161189E-02, 1.297087E-03 /\n\n\nC...MGLY-06\nC.. CH3COCHO + HV = CH3CO. + HCO.\nC.. IUPAC Subcommittee on Gas Kinetic Data Evaluation Data Sheet P6\nC.. This datasheet updated: 16th January 2003.\nC.. Website: http://www.iupac-kinetic.ch.cam.ac.uk/.\nC.. Quantum yield calculated from the expression given for 472 torr N2.\nC.. This \"pressure\" adjustment was made so the calculated photlysis rates\nC.. for solar conditions would agree with the data of Klotz et al (2000)\nC.. for the Euphore outdoor chamber.\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IMGLY_06 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IMGLY_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.377988E-20, 3.467536E-20, 2.425079E-20, 1.793719E-20, \n & 6.357002E-21, 3.467224E-20, 1.502724E-20 /\n DATA ( CS_REF( IMGLY_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.377988E-20, 3.467536E-20, 2.425079E-20, 1.793719E-20, \n & 6.357002E-21, 3.467224E-20, 1.502724E-20 /\n DATA ( CS_REF( IMGLY_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.377988E-20, 3.467536E-20, 2.425079E-20, 1.793719E-20, \n & 6.357002E-21, 3.467224E-20, 1.502724E-20 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IMGLY_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.564515E-01, 9.284549E-01, 8.960506E-01, 8.568918E-01, \n & 7.103677E-01, 2.552682E-01, 7.488430E-03 /\n DATA ( QY_REF( IMGLY_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 9.564515E-01, 9.284549E-01, 8.960506E-01, 8.568918E-01, \n & 7.103677E-01, 2.552682E-01, 7.488430E-03 /\n DATA ( QY_REF( IMGLY_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 9.564515E-01, 9.284549E-01, 8.960506E-01, 8.568918E-01, \n & 7.103677E-01, 2.552682E-01, 7.488430E-03 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IMGLY_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.188608E-20, 3.222329E-20, 2.174746E-20, 1.539860E-20, \n & 4.724494E-21, 5.167266E-21, 6.224983E-22 /\n DATA ( ECS_REF( IMGLY_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.188608E-20, 3.222329E-20, 2.174746E-20, 1.539860E-20, \n & 4.724494E-21, 5.167266E-21, 6.224983E-22 /\n DATA ( ECS_REF( IMGLY_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.188608E-20, 3.222329E-20, 2.174746E-20, 1.539860E-20, \n & 4.724494E-21, 5.167266E-21, 6.224983E-22 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IMGLY_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.567426E-01, 9.292849E-01, 8.967732E-01, 8.584732E-01, \n & 7.431952E-01, 1.490318E-01, 4.142465E-02 /\n DATA ( EQY_REF( IMGLY_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 9.567426E-01, 9.292849E-01, 8.967732E-01, 8.584732E-01, \n & 7.431952E-01, 1.490318E-01, 4.142465E-02 /\n DATA ( EQY_REF( IMGLY_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 9.567426E-01, 9.292849E-01, 8.967732E-01, 8.584732E-01, \n & 7.431952E-01, 1.490318E-01, 4.142465E-02 /\n\n\nC...BACL-07\nC.. CH3COCOCH3 + HV = 2 CH3CO.\nC.. Absorption cross sections from Plum et al (1983) as used in SAPRC-99\nC.. mechanism. Quantum yields calculated using the IUPAC (2005)-recommended\nC.. expression for the pressure and wavelength-dependence quantum yields for\nC.. methyl glyoxal, but with the effective presssure adjusted so the\nC.. photolysis rate, relative to that for NO2, under ambient conditions is\nC.. consistent with that measured by Klotz et al (2000) in the Euphore outdoor\nC.. chamber.\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IBACL_07 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IBACL_07, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.654940E-20, 1.614309E-20, 9.222299E-21, 6.084959E-21, \n & 4.646638E-21, 3.039083E-20, 8.999122E-21 /\n DATA ( CS_REF( IBACL_07, 2, IWLR ), IWLR = 1, 7 ) /\n & 2.654940E-20, 1.614309E-20, 9.222299E-21, 6.084959E-21, \n & 4.646638E-21, 3.039083E-20, 8.999122E-21 /\n DATA ( CS_REF( IBACL_07, 3, IWLR ), IWLR = 1, 7 ) /\n & 2.654940E-20, 1.614309E-20, 9.222299E-21, 6.084959E-21, \n & 4.646638E-21, 3.039083E-20, 8.999122E-21 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IBACL_07, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.894255E-01, 9.817211E-01, 9.728009E-01, 9.610599E-01, \n & 9.081057E-01, 5.113288E-01, 1.829104E-02 /\n DATA ( QY_REF( IBACL_07, 2, IWLR ), IWLR = 1, 7 ) /\n & 9.894255E-01, 9.817211E-01, 9.728009E-01, 9.610599E-01, \n & 9.081057E-01, 5.113288E-01, 1.829104E-02 /\n DATA ( QY_REF( IBACL_07, 3, IWLR ), IWLR = 1, 7 ) /\n & 9.894255E-01, 9.817211E-01, 9.728009E-01, 9.610599E-01, \n & 9.081057E-01, 5.113288E-01, 1.829104E-02 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IBACL_07, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.627346E-20, 1.585460E-20, 8.974108E-21, 5.850922E-21, \n & 4.205010E-21, 1.163110E-20, 9.600788E-22 /\n DATA ( ECS_REF( IBACL_07, 2, IWLR ), IWLR = 1, 7 ) /\n & 2.627346E-20, 1.585460E-20, 8.974108E-21, 5.850922E-21, \n & 4.205010E-21, 1.163110E-20, 9.600788E-22 /\n DATA ( ECS_REF( IBACL_07, 3, IWLR ), IWLR = 1, 7 ) /\n & 2.627346E-20, 1.585460E-20, 8.974108E-21, 5.850922E-21, \n & 4.205010E-21, 1.163110E-20, 9.600788E-22 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IBACL_07, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.896064E-01, 9.821288E-01, 9.730880E-01, 9.615384E-01, \n & 9.049575E-01, 3.827173E-01, 1.066858E-01 /\n DATA ( EQY_REF( IBACL_07, 2, IWLR ), IWLR = 1, 7 ) /\n & 9.896064E-01, 9.821288E-01, 9.730880E-01, 9.615384E-01, \n & 9.049575E-01, 3.827173E-01, 1.066858E-01 /\n DATA ( EQY_REF( IBACL_07, 3, IWLR ), IWLR = 1, 7 ) /\n & 9.896064E-01, 9.821288E-01, 9.730880E-01, 9.615384E-01, \n & 9.049575E-01, 3.827173E-01, 1.066858E-01 /\n\n\nC...BALD-06\nC.. Benzaldehyde absorption cross sections recommended by Calvert et al (2002)\nC.. From Lang (1961-1971) in hexane solution\nC..\nC.. Note that recommended quantum ranges from 0,14 to 0,4 and SAPRC07T sets\nC.. value to 0.060 in mechanism definition file\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IBALD_06 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IBALD_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.446840E-19, 7.294727E-20, 7.083062E-20, 8.588684E-20, \n & 9.205959E-20, 1.899708E-20, 0.000000E+00 /\n DATA ( CS_REF( IBALD_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.446840E-19, 7.294727E-20, 7.083062E-20, 8.588684E-20, \n & 9.205959E-20, 1.899708E-20, 0.000000E+00 /\n DATA ( CS_REF( IBALD_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.446840E-19, 7.294727E-20, 7.083062E-20, 8.588684E-20, \n & 9.205959E-20, 1.899708E-20, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IBALD_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 4.698323E-01, 0.000000E+00 /\n DATA ( QY_REF( IBALD_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 4.698323E-01, 0.000000E+00 /\n DATA ( QY_REF( IBALD_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 4.698323E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IBALD_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.446840E-19, 7.294727E-20, 7.083062E-20, 8.588684E-20, \n & 9.205959E-20, 1.899707E-20, 0.000000E+00 /\n DATA ( ECS_REF( IBALD_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.446840E-19, 7.294727E-20, 7.083062E-20, 8.588684E-20, \n & 9.205959E-20, 1.899707E-20, 0.000000E+00 /\n DATA ( ECS_REF( IBALD_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.446840E-19, 7.294727E-20, 7.083062E-20, 8.588684E-20, \n & 9.205959E-20, 1.899707E-20, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IBALD_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999995E-01, 0.000000E+00 /\n DATA ( EQY_REF( IBALD_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999995E-01, 0.000000E+00 /\n DATA ( EQY_REF( IBALD_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999995E-01, 0.000000E+00 /\n\n\nC...AFG1\nC.. Photolysis of lumped photoreactive aromatic unsaturated dicarbonyl product.\nC.. Based on 31.6% BUTEDIAL and 68.4% 4OX2PEAL with QY(BUTEDIAL) = 0.723 and\nC.. QY(4OX2PEAL) = 1.000\nC.. From h:\\mech\\saprc06\\phf.xls, \"AFG1\" sheet and based on\nC.. h:\\mech\\saprc06\\aroprods.xls\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IAFG1 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IAFG1, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.731169E-18, 1.413427E-18, 1.105655E-18, 8.934788E-19, \n & 5.096681E-19, 1.346181E-19, 2.441063E-21 /\n DATA ( CS_REF( IAFG1, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.731169E-18, 1.413427E-18, 1.105655E-18, 8.934788E-19, \n & 5.096681E-19, 1.346181E-19, 2.441063E-21 /\n DATA ( CS_REF( IAFG1, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.731169E-18, 1.413427E-18, 1.105655E-18, 8.934788E-19, \n & 5.096681E-19, 1.346181E-19, 2.441063E-21 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IAFG1, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 2.073897E-01 /\n DATA ( QY_REF( IAFG1, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 2.073897E-01 /\n DATA ( QY_REF( IAFG1, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 2.073897E-01 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IAFG1, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.731169E-18, 1.413427E-18, 1.105655E-18, 8.934788E-19, \n & 5.096681E-19, 1.346181E-19, 2.441062E-21 /\n DATA ( ECS_REF( IAFG1, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.731169E-18, 1.413427E-18, 1.105655E-18, 8.934788E-19, \n & 5.096681E-19, 1.346181E-19, 2.441062E-21 /\n DATA ( ECS_REF( IAFG1, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.731169E-18, 1.413427E-18, 1.105655E-18, 8.934788E-19, \n & 5.096681E-19, 1.346181E-19, 2.441062E-21 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IAFG1, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.999996E-01 /\n DATA ( EQY_REF( IAFG1, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.999996E-01 /\n DATA ( EQY_REF( IAFG1, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.999996E-01 /\n\n\nC...MACR-06\nC.. Methacrolein total photolysis\nC.. Absorption cross sections from IUPAC Subcommittee on Gas Kinetic Data Evaluatio\nC.. Website: http://www.iupac-kinetic.ch.cam.ac.uk/. This datasheet updated: 16th M\nC.. The quantum yields were derived using the pressure and wavelength-dependent\nC.. expression given by IUPAC (2005) for MVK, with the total pressure adjusted so\nC.. that the radical forming photolysis rates for the chamber experiments are the\nC.. same as those that fit the chamber data.\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IMACR_06 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IMACR_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.642473E-20, 3.933871E-20, 4.996084E-20, 5.919546E-20, \n & 6.529635E-20, 1.485992E-20, 0.000000E+00 /\n DATA ( CS_REF( IMACR_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 2.642473E-20, 3.933871E-20, 4.996084E-20, 5.919546E-20, \n & 6.529635E-20, 1.485992E-20, 0.000000E+00 /\n DATA ( CS_REF( IMACR_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 2.642473E-20, 3.933871E-20, 4.996084E-20, 5.919546E-20, \n & 6.529635E-20, 1.485992E-20, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IMACR_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.895972E-02, 3.077034E-02, 2.097494E-02, 1.484818E-02, \n & 6.388199E-03, 6.587669E-04, 0.000000E+00 /\n DATA ( QY_REF( IMACR_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.895972E-02, 3.077034E-02, 2.097494E-02, 1.484818E-02, \n & 6.388199E-03, 6.587669E-04, 0.000000E+00 /\n DATA ( QY_REF( IMACR_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.895972E-02, 3.077034E-02, 2.097494E-02, 1.484818E-02, \n & 6.388199E-03, 6.587669E-04, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IMACR_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.276483E-21, 1.192719E-21, 1.044423E-21, 8.732378E-22, \n & 4.189941E-22, 2.383998E-23, 0.000000E+00 /\n DATA ( ECS_REF( IMACR_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.276483E-21, 1.192719E-21, 1.044423E-21, 8.732378E-22, \n & 4.189941E-22, 2.383998E-23, 0.000000E+00 /\n DATA ( ECS_REF( IMACR_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.276483E-21, 1.192719E-21, 1.044423E-21, 8.732378E-22, \n & 4.189941E-22, 2.383998E-23, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IMACR_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.830637E-02, 3.031922E-02, 2.090483E-02, 1.475177E-02, \n & 6.416808E-03, 1.604314E-03, 0.000000E+00 /\n DATA ( EQY_REF( IMACR_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.830637E-02, 3.031922E-02, 2.090483E-02, 1.475177E-02, \n & 6.416808E-03, 1.604314E-03, 0.000000E+00 /\n DATA ( EQY_REF( IMACR_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.830637E-02, 3.031922E-02, 2.090483E-02, 1.475177E-02, \n & 6.416808E-03, 1.604314E-03, 0.000000E+00 /\n\n\nC...MVK-06\nC.. MVK total photolysis\nC.. IUPAC Subcommittee on Gas Kinetic Data Evaluation Data Sheet P10\nC.. Website: http://www.iupac-kinetic.ch.cam.ac.uk/\nC.. This datasheet updated: 9th August 2002.\nC.. Decline in absorption cross sections with wavelength above 395 nm estimated by\nC.. linear interpolation.\nC.. Quantum yields for all photodecomposition processes. IUPAC recommends ~60% for\nC.. propene formation, rest radical forming routes.\nC.. Quantum yields calculated for 1 atm overpredicts photolysis rates for chamber\nC.. experiments that gives best fits to data. Effective pressure increased to 5 atm\nC.. to give overall quantum yields that are consistent with modeling chamber data.\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IMVK_06 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IMVK_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.044929E-20, 4.370248E-20, 5.442438E-20, 6.311225E-20, \n & 6.837229E-20, 9.456476E-21, 0.000000E+00 /\n DATA ( CS_REF( IMVK_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 3.044929E-20, 4.370248E-20, 5.442438E-20, 6.311225E-20, \n & 6.837229E-20, 9.456476E-21, 0.000000E+00 /\n DATA ( CS_REF( IMVK_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 3.044929E-20, 4.370248E-20, 5.442438E-20, 6.311225E-20, \n & 6.837229E-20, 9.456476E-21, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IMVK_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.748657E-02, 1.113743E-02, 7.554945E-03, 5.308024E-03, \n & 2.286832E-03, 1.891282E-04, 0.000000E+00 /\n DATA ( QY_REF( IMVK_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.748657E-02, 1.113743E-02, 7.554945E-03, 5.308024E-03, \n & 2.286832E-03, 1.891282E-04, 0.000000E+00 /\n DATA ( QY_REF( IMVK_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.748657E-02, 1.113743E-02, 7.554945E-03, 5.308024E-03, \n & 2.286832E-03, 1.891282E-04, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IMVK_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.264739E-22, 4.799790E-22, 4.100841E-22, 3.333177E-22, \n & 1.581298E-22, 9.181583E-24, 0.000000E+00 /\n DATA ( ECS_REF( IMVK_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 5.264739E-22, 4.799790E-22, 4.100841E-22, 3.333177E-22, \n & 1.581298E-22, 9.181583E-24, 0.000000E+00 /\n DATA ( ECS_REF( IMVK_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 5.264739E-22, 4.799790E-22, 4.100841E-22, 3.333177E-22, \n & 1.581298E-22, 9.181583E-24, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IMVK_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.729018E-02, 1.098288E-02, 7.534933E-03, 5.281347E-03, \n & 2.312777E-03, 9.709307E-04, 0.000000E+00 /\n DATA ( EQY_REF( IMVK_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.729018E-02, 1.098288E-02, 7.534933E-03, 5.281347E-03, \n & 2.312777E-03, 9.709307E-04, 0.000000E+00 /\n DATA ( EQY_REF( IMVK_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.729018E-02, 1.098288E-02, 7.534933E-03, 5.281347E-03, \n & 2.312777E-03, 9.709307E-04, 0.000000E+00 /\n\n\nC...IC3ONO2\nC.. ! I-C3H7ONO2 + HV = PRODUCTS\nC.. IUPAC (1997). Recommend assuming unit quantum yields.\nC.. This has stronger absorption than n-C3-ONO2 and lower nitrates,\nC.. but chosen as representative of lumped higher nitrates.\nC.. wl abs\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IIC3ONO2 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IIC3ONO2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.253602E-20, 6.362722E-21, 3.273374E-21, 1.721527E-21, \n & 2.837941E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IIC3ONO2, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.253602E-20, 6.362722E-21, 3.273374E-21, 1.721527E-21, \n & 2.837941E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IIC3ONO2, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.253602E-20, 6.362722E-21, 3.273374E-21, 1.721527E-21, \n & 2.837941E-22, 0.000000E+00, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IIC3ONO2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 5.950289E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IIC3ONO2, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 5.950289E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IIC3ONO2, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 5.950289E-01, 0.000000E+00, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IIC3ONO2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.253602E-20, 6.362722E-21, 3.273374E-21, 1.721527E-21, \n & 2.837921E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IIC3ONO2, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.253602E-20, 6.362722E-21, 3.273374E-21, 1.721527E-21, \n & 2.837921E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IIC3ONO2, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.253602E-20, 6.362722E-21, 3.273374E-21, 1.721527E-21, \n & 2.837921E-22, 0.000000E+00, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IIC3ONO2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.999931E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IIC3ONO2, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.999931E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IIC3ONO2, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.999931E-01, 0.000000E+00, 0.000000E+00 /\n\n\nC...HOCCHO_IUPAC\nC.. HOCH2CHO + hv ---> products\t\t\nC.. IUPAC (2002) based on Bacher et al (2001), J. Atm. Chem, 39, 171.\nC.. quantum yield = 0.75+/-0.25\t\t\nC.. lambda(nm) xcross(1.E+20*cm2) yield\t\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IHOCCHO_IUPAC ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IHOCCHO_IUPAC, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.701644E-20, 2.281197E-20, 1.252918E-20, 5.900787E-21, \n & 6.962136E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IHOCCHO_IUPAC, 2, IWLR ), IWLR = 1, 7 ) /\n & 3.701644E-20, 2.281197E-20, 1.252918E-20, 5.900787E-21, \n & 6.962136E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IHOCCHO_IUPAC, 3, IWLR ), IWLR = 1, 7 ) /\n & 3.701644E-20, 2.281197E-20, 1.252918E-20, 5.900787E-21, \n & 6.962136E-22, 0.000000E+00, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IHOCCHO_IUPAC, 1, IWLR ), IWLR = 1, 7 ) /\n & 7.500000E-01, 7.500000E-01, 7.500000E-01, 7.500000E-01, \n & 4.462717E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IHOCCHO_IUPAC, 2, IWLR ), IWLR = 1, 7 ) /\n & 7.500000E-01, 7.500000E-01, 7.500000E-01, 7.500000E-01, \n & 4.462717E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IHOCCHO_IUPAC, 3, IWLR ), IWLR = 1, 7 ) /\n & 7.500000E-01, 7.500000E-01, 7.500000E-01, 7.500000E-01, \n & 4.462717E-01, 0.000000E+00, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IHOCCHO_IUPAC, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.776233E-20, 1.710898E-20, 9.396888E-21, 4.425590E-21, \n & 5.218385E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IHOCCHO_IUPAC, 2, IWLR ), IWLR = 1, 7 ) /\n & 2.776233E-20, 1.710898E-20, 9.396888E-21, 4.425590E-21, \n & 5.218385E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IHOCCHO_IUPAC, 3, IWLR ), IWLR = 1, 7 ) /\n & 2.776233E-20, 1.710898E-20, 9.396888E-21, 4.425590E-21, \n & 5.218385E-22, 0.000000E+00, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IHOCCHO_IUPAC, 1, IWLR ), IWLR = 1, 7 ) /\n & 7.500000E-01, 7.500000E-01, 7.500000E-01, 7.500000E-01, \n & 7.495379E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IHOCCHO_IUPAC, 2, IWLR ), IWLR = 1, 7 ) /\n & 7.500000E-01, 7.500000E-01, 7.500000E-01, 7.500000E-01, \n & 7.495379E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IHOCCHO_IUPAC, 3, IWLR ), IWLR = 1, 7 ) /\n & 7.500000E-01, 7.500000E-01, 7.500000E-01, 7.500000E-01, \n & 7.495379E-01, 0.000000E+00, 0.000000E+00 /\n\n\nC...ACRO-09\nC.. ! Chemical Kinetics and Photochemical Data for Use in Atmospheric Studies\nC.. Evaluation Number 15. JPL Publication 06-2. July 10, 2006\nC.. The quantum yields were derived using the pressure and wavelength-dependent\nC.. expression given by IUPAC (2005) for MVK,\nC.. with the total pressure adjusted so that the radical forming photolysis rates\nC.. for the chamber experiments are the same as those that fit the chamber data.\nC.. Adjusted pressure = 1.50 atm.\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IACRO_09 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IACRO_09, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.858116E-20, 2.786563E-20, 3.608658E-20, 4.315211E-20, \n & 5.365798E-20, 1.717206E-20, 0.000000E+00 /\n DATA ( CS_REF( IACRO_09, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.858116E-20, 2.786563E-20, 3.608658E-20, 4.315211E-20, \n & 5.365798E-20, 1.717206E-20, 0.000000E+00 /\n DATA ( CS_REF( IACRO_09, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.858116E-20, 2.786563E-20, 3.608658E-20, 4.315211E-20, \n & 5.365798E-20, 1.717206E-20, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IACRO_09, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.327035E-02, 3.344404E-02, 2.270661E-02, 1.610625E-02, \n & 6.961018E-03, 7.441319E-04, 0.000000E+00 /\n DATA ( QY_REF( IACRO_09, 2, IWLR ), IWLR = 1, 7 ) /\n & 5.327035E-02, 3.344404E-02, 2.270661E-02, 1.610625E-02, \n & 6.961018E-03, 7.441319E-04, 0.000000E+00 /\n DATA ( QY_REF( IACRO_09, 3, IWLR ), IWLR = 1, 7 ) /\n & 5.327035E-02, 3.344404E-02, 2.270661E-02, 1.610625E-02, \n & 6.961018E-03, 7.441319E-04, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IACRO_09, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.778219E-22, 9.186790E-22, 8.152126E-22, 6.910216E-22, \n & 3.706286E-22, 2.881135E-23, 0.000000E+00 /\n DATA ( ECS_REF( IACRO_09, 2, IWLR ), IWLR = 1, 7 ) /\n & 9.778219E-22, 9.186790E-22, 8.152126E-22, 6.910216E-22, \n & 3.706286E-22, 2.881135E-23, 0.000000E+00 /\n DATA ( ECS_REF( IACRO_09, 3, IWLR ), IWLR = 1, 7 ) /\n & 9.778219E-22, 9.186790E-22, 8.152126E-22, 6.910216E-22, \n & 3.706286E-22, 2.881135E-23, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IACRO_09, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.262437E-02, 3.296818E-02, 2.259047E-02, 1.601362E-02, \n & 6.907240E-03, 1.677804E-03, 0.000000E+00 /\n DATA ( EQY_REF( IACRO_09, 2, IWLR ), IWLR = 1, 7 ) /\n & 5.262437E-02, 3.296818E-02, 2.259047E-02, 1.601362E-02, \n & 6.907240E-03, 1.677804E-03, 0.000000E+00 /\n DATA ( EQY_REF( IACRO_09, 3, IWLR ), IWLR = 1, 7 ) /\n & 5.262437E-02, 3.296818E-02, 2.259047E-02, 1.601362E-02, \n & 6.907240E-03, 1.677804E-03, 0.000000E+00 /\n\n\nC...PAA\nC.. Peroxy acetic acid absorption cross sections\nC.. Orlando, J. J. and G. S. Tyndall (2003): \"Gas phase UV absorption spectra\nC.. for peracetic acid, and for acetic acid monomers and dimers,\" J. Photochem.\nC.. Photobiol A, 157, 161-166.\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IPAA ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IPAA, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.878198E-21, 9.997928E-22, 5.862126E-22, 3.756698E-22, \n & 1.093339E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IPAA, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.878198E-21, 9.997928E-22, 5.862126E-22, 3.756698E-22, \n & 1.093339E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IPAA, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.878198E-21, 9.997928E-22, 5.862126E-22, 3.756698E-22, \n & 1.093339E-22, 0.000000E+00, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IPAA, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.677803E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IPAA, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.677803E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IPAA, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.677803E-01, 0.000000E+00, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IPAA, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.878198E-21, 9.997928E-22, 5.862126E-22, 3.756698E-22, \n & 1.093335E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IPAA, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.878198E-21, 9.997928E-22, 5.862126E-22, 3.756698E-22, \n & 1.093335E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IPAA, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.878198E-21, 9.997928E-22, 5.862126E-22, 3.756698E-22, \n & 1.093335E-22, 0.000000E+00, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IPAA, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.999964E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IPAA, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.999964E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IPAA, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.999964E-01, 0.000000E+00, 0.000000E+00 /\n\n\nC...CL2\nC.. CL2 + HV = 2 CL \t\nC.. \tFROM IUPAC EVALUATION (1996)\nC.. \tRECOMMEND UNIT QUANTUM YIELD\nC.. \t\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, ICL2 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( ICL2, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.837280E-20, 1.399567E-19, 1.844070E-19, 2.181722E-19, \n & 2.414089E-19, 7.097299E-20, 1.197690E-21 /\n DATA ( CS_REF( ICL2, 2, IWLR ), IWLR = 1, 7 ) /\n & 8.837280E-20, 1.399567E-19, 1.844070E-19, 2.181722E-19, \n & 2.414089E-19, 7.097299E-20, 1.197690E-21 /\n DATA ( CS_REF( ICL2, 3, IWLR ), IWLR = 1, 7 ) /\n & 8.837280E-20, 1.399567E-19, 1.844070E-19, 2.181722E-19, \n & 2.414089E-19, 7.097299E-20, 1.197690E-21 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( ICL2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 2.435630E-01 /\n DATA ( QY_REF( ICL2, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 2.435630E-01 /\n DATA ( QY_REF( ICL2, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 2.435630E-01 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( ICL2, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.837280E-20, 1.399567E-19, 1.844070E-19, 2.181722E-19, \n & 2.414089E-19, 7.097299E-20, 1.197690E-21 /\n DATA ( ECS_REF( ICL2, 2, IWLR ), IWLR = 1, 7 ) /\n & 8.837280E-20, 1.399567E-19, 1.844070E-19, 2.181722E-19, \n & 2.414089E-19, 7.097299E-20, 1.197690E-21 /\n DATA ( ECS_REF( ICL2, 3, IWLR ), IWLR = 1, 7 ) /\n & 8.837280E-20, 1.399567E-19, 1.844070E-19, 2.181722E-19, \n & 2.414089E-19, 7.097299E-20, 1.197690E-21 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( ICL2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.999997E-01 /\n DATA ( EQY_REF( ICL2, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.999997E-01 /\n DATA ( EQY_REF( ICL2, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.999997E-01 /\n\n\nC...CLNO-06\nC.. CLNO absorption cross sections recommended by IUPAC (2005)\nC.. Wavelength where absorption goes to zero est'd by extrapolation\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, ICLNO_06 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( ICLNO_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.714401E-20, 1.043246E-19, 1.151118E-19, 1.265982E-19, \n & 1.476980E-19, 8.786674E-20, 7.731566E-21 /\n DATA ( CS_REF( ICLNO_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 9.714401E-20, 1.043246E-19, 1.151118E-19, 1.265982E-19, \n & 1.476980E-19, 8.786674E-20, 7.731566E-21 /\n DATA ( CS_REF( ICLNO_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 9.714401E-20, 1.043246E-19, 1.151118E-19, 1.265982E-19, \n & 1.476980E-19, 8.786674E-20, 7.731566E-21 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( ICLNO_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 3.938179E-01 /\n DATA ( QY_REF( ICLNO_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 3.938179E-01 /\n DATA ( QY_REF( ICLNO_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 3.938179E-01 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( ICLNO_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.714401E-20, 1.043246E-19, 1.151118E-19, 1.265982E-19, \n & 1.476980E-19, 8.786674E-20, 7.731564E-21 /\n DATA ( ECS_REF( ICLNO_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 9.714401E-20, 1.043246E-19, 1.151118E-19, 1.265982E-19, \n & 1.476980E-19, 8.786674E-20, 7.731564E-21 /\n DATA ( ECS_REF( ICLNO_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 9.714401E-20, 1.043246E-19, 1.151118E-19, 1.265982E-19, \n & 1.476980E-19, 8.786674E-20, 7.731564E-21 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( ICLNO_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.999998E-01 /\n DATA ( EQY_REF( ICLNO_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.999998E-01 /\n DATA ( EQY_REF( ICLNO_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.999998E-01 /\n\n\nC...CLONO\nC.. CLONO + HV = CL + NO2\t\nC.. \tFROM IUPAC EVALUATION (1996)\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, ICLONO ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( ICLONO, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.405210E-18, 1.199159E-18, 1.051876E-18, 9.226636E-19, \n & 5.800030E-19, 8.253898E-20, 0.000000E+00 /\n DATA ( CS_REF( ICLONO, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.405210E-18, 1.199159E-18, 1.051876E-18, 9.226636E-19, \n & 5.800030E-19, 8.253898E-20, 0.000000E+00 /\n DATA ( CS_REF( ICLONO, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.405210E-18, 1.199159E-18, 1.051876E-18, 9.226636E-19, \n & 5.800030E-19, 8.253898E-20, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( ICLONO, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 8.480834E-01, 0.000000E+00 /\n DATA ( QY_REF( ICLONO, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 8.480834E-01, 0.000000E+00 /\n DATA ( QY_REF( ICLONO, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 8.480834E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( ICLONO, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.405210E-18, 1.199159E-18, 1.051876E-18, 9.226636E-19, \n & 5.800030E-19, 8.253895E-20, 0.000000E+00 /\n DATA ( ECS_REF( ICLONO, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.405210E-18, 1.199159E-18, 1.051876E-18, 9.226636E-19, \n & 5.800030E-19, 8.253895E-20, 0.000000E+00 /\n DATA ( ECS_REF( ICLONO, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.405210E-18, 1.199159E-18, 1.051876E-18, 9.226636E-19, \n & 5.800030E-19, 8.253895E-20, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( ICLONO, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999997E-01, 0.000000E+00 /\n DATA ( EQY_REF( ICLONO, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999997E-01, 0.000000E+00 /\n DATA ( EQY_REF( ICLONO, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999997E-01, 0.000000E+00 /\n\n\nC...CLNO2\nC.. CLNO2 + HV = CL + NO2\t\nC.. \tFROM IUPAC EVALUATION (1996)\nC.. \tRECOMMEND UNIT QUANTUM YILED\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, ICLNO2 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( ICLNO2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.618957E-19, 1.401068E-19, 1.205566E-19, 1.003856E-19, \n & 5.353105E-20, 5.485528E-21, 0.000000E+00 /\n DATA ( CS_REF( ICLNO2, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.618957E-19, 1.401068E-19, 1.205566E-19, 1.003856E-19, \n & 5.353105E-20, 5.485528E-21, 0.000000E+00 /\n DATA ( CS_REF( ICLNO2, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.618957E-19, 1.401068E-19, 1.205566E-19, 1.003856E-19, \n & 5.353105E-20, 5.485528E-21, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( ICLNO2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 4.832393E-01, 0.000000E+00 /\n DATA ( QY_REF( ICLNO2, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 4.832393E-01, 0.000000E+00 /\n DATA ( QY_REF( ICLNO2, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 4.832393E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( ICLNO2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.618957E-19, 1.401068E-19, 1.205566E-19, 1.003856E-19, \n & 5.353105E-20, 5.485521E-21, 0.000000E+00 /\n DATA ( ECS_REF( ICLNO2, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.618957E-19, 1.401068E-19, 1.205566E-19, 1.003856E-19, \n & 5.353105E-20, 5.485521E-21, 0.000000E+00 /\n DATA ( ECS_REF( ICLNO2, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.618957E-19, 1.401068E-19, 1.205566E-19, 1.003856E-19, \n & 5.353105E-20, 5.485521E-21, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( ICLNO2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999987E-01, 0.000000E+00 /\n DATA ( EQY_REF( ICLNO2, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999987E-01, 0.000000E+00 /\n DATA ( EQY_REF( ICLNO2, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999987E-01, 0.000000E+00 /\n\n\nC...CLONO2-1\nC.. CLONO2 + hv = CLO. + NO2\nC.. CLONO2 absorption cross sections and quantum yields recommended by IUPAC (2005)\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, ICLONO2_1 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( ICLONO2_1, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.646976E-20, 2.596369E-20, 1.617506E-20, 1.067463E-20, \n & 4.477540E-21, 5.616671E-22, 0.000000E+00 /\n DATA ( CS_REF( ICLONO2_1, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.646976E-20, 2.596369E-20, 1.617506E-20, 1.067463E-20, \n & 4.477540E-21, 5.616671E-22, 0.000000E+00 /\n DATA ( CS_REF( ICLONO2_1, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.646976E-20, 2.596369E-20, 1.617506E-20, 1.067463E-20, \n & 4.477540E-21, 5.616671E-22, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( ICLONO2_1, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.000000E-01, 3.989724E-01, 3.828619E-01, 3.400473E-01, \n & 2.225876E-01, 1.723396E-02, 0.000000E+00 /\n DATA ( QY_REF( ICLONO2_1, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.000000E-01, 3.989724E-01, 3.828619E-01, 3.400473E-01, \n & 2.225876E-01, 1.723396E-02, 0.000000E+00 /\n DATA ( QY_REF( ICLONO2_1, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.000000E-01, 3.989724E-01, 3.828619E-01, 3.400473E-01, \n & 2.225876E-01, 1.723396E-02, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( ICLONO2_1, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.858791E-20, 1.036466E-20, 6.204424E-21, 3.655838E-21, \n & 1.070239E-21, 3.904645E-23, 0.000000E+00 /\n DATA ( ECS_REF( ICLONO2_1, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.858791E-20, 1.036466E-20, 6.204424E-21, 3.655838E-21, \n & 1.070239E-21, 3.904645E-23, 0.000000E+00 /\n DATA ( ECS_REF( ICLONO2_1, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.858791E-20, 1.036466E-20, 6.204424E-21, 3.655838E-21, \n & 1.070239E-21, 3.904645E-23, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( ICLONO2_1, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.000000E-01, 3.991984E-01, 3.835795E-01, 3.424791E-01, \n & 2.390239E-01, 6.951884E-02, 0.000000E+00 /\n DATA ( EQY_REF( ICLONO2_1, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.000000E-01, 3.991984E-01, 3.835795E-01, 3.424791E-01, \n & 2.390239E-01, 6.951884E-02, 0.000000E+00 /\n DATA ( EQY_REF( ICLONO2_1, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.000000E-01, 3.991984E-01, 3.835795E-01, 3.424791E-01, \n & 2.390239E-01, 6.951884E-02, 0.000000E+00 /\n\n\nC...CLONO2-2\nC.. CLONO2 + hv = CL. + NO3\nC.. CLONO2 absorption cross sections and quantum yields recommended by IUPAC (2005)\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, ICLONO2_2 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( ICLONO2_2, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.646976E-20, 2.596369E-20, 1.617506E-20, 1.067463E-20, \n & 4.477540E-21, 1.279905E-21, 1.948483E-23 /\n DATA ( CS_REF( ICLONO2_2, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.646976E-20, 2.596369E-20, 1.617506E-20, 1.067463E-20, \n & 4.477540E-21, 1.279905E-21, 1.948483E-23 /\n DATA ( CS_REF( ICLONO2_2, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.646976E-20, 2.596369E-20, 1.617506E-20, 1.067463E-20, \n & 4.477540E-21, 1.279905E-21, 1.948483E-23 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( ICLONO2_2, 1, IWLR ), IWLR = 1, 7 ) /\n & 6.000000E-01, 6.010277E-01, 6.171381E-01, 6.599527E-01, \n & 7.774124E-01, 9.827660E-01, 7.729670E-02 /\n DATA ( QY_REF( ICLONO2_2, 2, IWLR ), IWLR = 1, 7 ) /\n & 6.000000E-01, 6.010277E-01, 6.171381E-01, 6.599527E-01, \n & 7.774124E-01, 9.827660E-01, 7.729670E-02 /\n DATA ( QY_REF( ICLONO2_2, 3, IWLR ), IWLR = 1, 7 ) /\n & 6.000000E-01, 6.010277E-01, 6.171381E-01, 6.599527E-01, \n & 7.774124E-01, 9.827660E-01, 7.729670E-02 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( ICLONO2_2, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.788186E-20, 1.559903E-20, 9.970641E-21, 7.018792E-21, \n & 3.407301E-21, 1.240858E-21, 1.948451E-23 /\n DATA ( ECS_REF( ICLONO2_2, 2, IWLR ), IWLR = 1, 7 ) /\n & 2.788186E-20, 1.559903E-20, 9.970641E-21, 7.018792E-21, \n & 3.407301E-21, 1.240858E-21, 1.948451E-23 /\n DATA ( ECS_REF( ICLONO2_2, 3, IWLR ), IWLR = 1, 7 ) /\n & 2.788186E-20, 1.559903E-20, 9.970641E-21, 7.018792E-21, \n & 3.407301E-21, 1.240858E-21, 1.948451E-23 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( ICLONO2_2, 1, IWLR ), IWLR = 1, 7 ) /\n & 6.000000E-01, 6.008017E-01, 6.164205E-01, 6.575208E-01, \n & 7.609761E-01, 9.694926E-01, 9.999832E-01 /\n DATA ( EQY_REF( ICLONO2_2, 2, IWLR ), IWLR = 1, 7 ) /\n & 6.000000E-01, 6.008017E-01, 6.164205E-01, 6.575208E-01, \n & 7.609761E-01, 9.694926E-01, 9.999832E-01 /\n DATA ( EQY_REF( ICLONO2_2, 3, IWLR ), IWLR = 1, 7 ) /\n & 6.000000E-01, 6.008017E-01, 6.164205E-01, 6.575208E-01, \n & 7.609761E-01, 9.694926E-01, 9.999832E-01 /\n\n\nC...HOCL-06\nC.. HOCL absorption cross sections recommended by IUPAC (2005)\nC..\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IHOCL_06 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IHOCL_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.572037E-20, 6.066260E-20, 5.955837E-20, 5.386087E-20, \n & 3.171168E-20, 6.944975E-21, 2.670822E-23 /\n DATA ( CS_REF( IHOCL_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 5.572037E-20, 6.066260E-20, 5.955837E-20, 5.386087E-20, \n & 3.171168E-20, 6.944975E-21, 2.670822E-23 /\n DATA ( CS_REF( IHOCL_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 5.572037E-20, 6.066260E-20, 5.955837E-20, 5.386087E-20, \n & 3.171168E-20, 6.944975E-21, 2.670822E-23 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IHOCL_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 3.488595E-02 /\n DATA ( QY_REF( IHOCL_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 3.488595E-02 /\n DATA ( QY_REF( IHOCL_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 3.488595E-02 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IHOCL_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.572037E-20, 6.066260E-20, 5.955837E-20, 5.386087E-20, \n & 3.171168E-20, 6.944975E-21, 2.670613E-23 /\n DATA ( ECS_REF( IHOCL_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 5.572037E-20, 6.066260E-20, 5.955837E-20, 5.386087E-20, \n & 3.171168E-20, 6.944975E-21, 2.670613E-23 /\n DATA ( ECS_REF( IHOCL_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 5.572037E-20, 6.066260E-20, 5.955837E-20, 5.386087E-20, \n & 3.171168E-20, 6.944975E-21, 2.670613E-23 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IHOCL_06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.999219E-01 /\n DATA ( EQY_REF( IHOCL_06, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.999219E-01 /\n DATA ( EQY_REF( IHOCL_06, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.999219E-01 /\n\n\nC...CLCCHO\nC.. Chloroacetaldehyde absorption cross sections\nC.. NASA (2006) evaluation\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, ICLCCHO ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( ICLCCHO, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.382647E-20, 5.297188E-20, 4.837030E-20, 3.864029E-20, \n & 1.335077E-20, 1.098278E-22, 0.000000E+00 /\n DATA ( CS_REF( ICLCCHO, 2, IWLR ), IWLR = 1, 7 ) /\n & 5.382647E-20, 5.297188E-20, 4.837030E-20, 3.864029E-20, \n & 1.335077E-20, 1.098278E-22, 0.000000E+00 /\n DATA ( CS_REF( ICLCCHO, 3, IWLR ), IWLR = 1, 7 ) /\n & 5.382647E-20, 5.297188E-20, 4.837030E-20, 3.864029E-20, \n & 1.335077E-20, 1.098278E-22, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( ICLCCHO, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.735011E-01, 0.000000E+00 /\n DATA ( QY_REF( ICLCCHO, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.735011E-01, 0.000000E+00 /\n DATA ( QY_REF( ICLCCHO, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.735011E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( ICLCCHO, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.382647E-20, 5.297188E-20, 4.837030E-20, 3.864029E-20, \n & 1.335077E-20, 1.098275E-22, 0.000000E+00 /\n DATA ( ECS_REF( ICLCCHO, 2, IWLR ), IWLR = 1, 7 ) /\n & 5.382647E-20, 5.297188E-20, 4.837030E-20, 3.864029E-20, \n & 1.335077E-20, 1.098275E-22, 0.000000E+00 /\n DATA ( ECS_REF( ICLCCHO, 3, IWLR ), IWLR = 1, 7 ) /\n & 5.382647E-20, 5.297188E-20, 4.837030E-20, 3.864029E-20, \n & 1.335077E-20, 1.098275E-22, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( ICLCCHO, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999973E-01, 0.000000E+00 /\n DATA ( EQY_REF( ICLCCHO, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999973E-01, 0.000000E+00 /\n DATA ( EQY_REF( ICLCCHO, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999973E-01, 0.000000E+00 /\n\n\nC...CLACET\nC.. Chloroacetone absorption cross sections\nC.. Chloroacetone absorption cross sections\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, ICLACET ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( ICLACET, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.998559E-20, 8.666034E-20, 6.763288E-20, 4.788546E-20, \n & 1.187528E-20, 8.168951E-23, 0.000000E+00 /\n DATA ( CS_REF( ICLACET, 2, IWLR ), IWLR = 1, 7 ) /\n & 9.998559E-20, 8.666034E-20, 6.763288E-20, 4.788546E-20, \n & 1.187528E-20, 8.168951E-23, 0.000000E+00 /\n DATA ( CS_REF( ICLACET, 3, IWLR ), IWLR = 1, 7 ) /\n & 9.998559E-20, 8.666034E-20, 6.763288E-20, 4.788546E-20, \n & 1.187528E-20, 8.168951E-23, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( ICLACET, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 2.623016E-01, 0.000000E+00 /\n DATA ( QY_REF( ICLACET, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 2.623016E-01, 0.000000E+00 /\n DATA ( QY_REF( ICLACET, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 2.623016E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( ICLACET, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.998559E-20, 8.666034E-20, 6.763288E-20, 4.788546E-20, \n & 1.187528E-20, 8.168905E-23, 0.000000E+00 /\n DATA ( ECS_REF( ICLACET, 2, IWLR ), IWLR = 1, 7 ) /\n & 9.998559E-20, 8.666034E-20, 6.763288E-20, 4.788546E-20, \n & 1.187528E-20, 8.168905E-23, 0.000000E+00 /\n DATA ( ECS_REF( ICLACET, 3, IWLR ), IWLR = 1, 7 ) /\n & 9.998559E-20, 8.666034E-20, 6.763288E-20, 4.788546E-20, \n & 1.187528E-20, 8.168905E-23, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( ICLACET, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999943E-01, 0.000000E+00 /\n DATA ( EQY_REF( ICLACET, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999943E-01, 0.000000E+00 /\n DATA ( EQY_REF( ICLACET, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999943E-01, 0.000000E+00 /\n\n\nC...NO2_SAPRC99\nC.. NO2 + HV = NO + O\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, INO2_SAPRC99 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( INO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.080259E-19, 1.477440E-19, 1.863140E-19, 2.244636E-19, \n & 3.311073E-19, 5.442337E-19, 2.379556E-20 /\n DATA ( CS_REF( INO2_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.080259E-19, 1.477440E-19, 1.863140E-19, 2.244636E-19, \n & 3.311073E-19, 5.442337E-19, 2.379556E-20 /\n DATA ( CS_REF( INO2_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.080259E-19, 1.477440E-19, 1.863140E-19, 2.244636E-19, \n & 3.311073E-19, 5.442337E-19, 2.379556E-20 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( INO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 9.986425E-01, 9.908484E-01, \n & 9.900000E-01, 8.105520E-01, 1.455241E-03 /\n DATA ( QY_REF( INO2_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 9.986425E-01, 9.908484E-01, \n & 9.900000E-01, 8.105520E-01, 1.455241E-03 /\n DATA ( QY_REF( INO2_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 9.986425E-01, 9.908484E-01, \n & 9.900000E-01, 8.105520E-01, 1.455241E-03 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( INO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.080259E-19, 1.477440E-19, 1.860489E-19, 2.223930E-19, \n & 3.277963E-19, 4.331605E-19, 8.335073E-22 /\n DATA ( ECS_REF( INO2_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.080259E-19, 1.477440E-19, 1.860489E-19, 2.223930E-19, \n & 3.277963E-19, 4.331605E-19, 8.335073E-22 /\n DATA ( ECS_REF( INO2_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.080259E-19, 1.477440E-19, 1.860489E-19, 2.223930E-19, \n & 3.277963E-19, 4.331605E-19, 8.335073E-22 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( INO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 9.985774E-01, 9.907753E-01, \n & 9.900000E-01, 7.959090E-01, 3.502784E-02 /\n DATA ( EQY_REF( INO2_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 9.985774E-01, 9.907753E-01, \n & 9.900000E-01, 7.959090E-01, 3.502784E-02 /\n DATA ( EQY_REF( INO2_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 9.985774E-01, 9.907753E-01, \n & 9.900000E-01, 7.959090E-01, 3.502784E-02 /\n\n\nC...NO3NO_SAPRC99\nC.. NO3 + HV = NO + O2 (T=298)\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, INO3NO_SAPRC99 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( INO3NO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 5.442916E-19 /\n DATA ( CS_REF( INO3NO_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 5.442916E-19 /\n DATA ( CS_REF( INO3NO_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 5.442916E-19 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( INO3NO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 1.990637E-02 /\n DATA ( QY_REF( INO3NO_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 1.990637E-02 /\n DATA ( QY_REF( INO3NO_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 1.990637E-02 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( INO3NO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 8.034345E-20 /\n DATA ( ECS_REF( INO3NO_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 8.034345E-20 /\n DATA ( ECS_REF( INO3NO_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 8.034345E-20 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( INO3NO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 1.476111E-01 /\n DATA ( EQY_REF( INO3NO_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 1.476111E-01 /\n DATA ( EQY_REF( INO3NO_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 1.476111E-01 /\n\n\nC...NO3NO2_SAPRC99\nC.. NO3 + HV = NO2 + O (T=298)\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, INO3NO2_SAPRC99 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( INO3NO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 3.854805E-21, 1.222858E-18 /\n DATA ( CS_REF( INO3NO2_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 3.854805E-21, 1.222858E-18 /\n DATA ( CS_REF( INO3NO2_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 3.854805E-21, 1.222858E-18 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( INO3NO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 2.540388E-01, 6.027042E-01 /\n DATA ( QY_REF( INO3NO2_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 2.540388E-01, 6.027042E-01 /\n DATA ( QY_REF( INO3NO2_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 2.540388E-01, 6.027042E-01 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( INO3NO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 3.854805E-21, 8.924195E-19 /\n DATA ( ECS_REF( INO3NO2_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 3.854805E-21, 8.924195E-19 /\n DATA ( ECS_REF( INO3NO2_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 3.854805E-21, 8.924195E-19 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( INO3NO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 1.000000E+00, 7.297817E-01 /\n DATA ( EQY_REF( INO3NO2_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 1.000000E+00, 7.297817E-01 /\n DATA ( EQY_REF( INO3NO2_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 1.000000E+00, 7.297817E-01 /\n\n\nC...O3O3P_SAPRC99\nC.. O3 + HV = O1D + O2\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\nC.. Absorption cross sections from NASA (1999), using wavelength which is cente\nC.. r of intervals shown.\nC.. Quantum yields derived from O3->O1D quantum yields assuming total quantum y\nC.. ield is 1, though this is not adequately discussed in the evaluations.\nC.. Values given are interpolated for each 1 nm interval.\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IO3O3P_SAPRC99 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IO3O3P_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.225669E-19, 2.738969E-19, 1.042280E-19, 4.515059E-20, \n & 6.450503E-21, 2.109681E-23, 1.684420E-21 /\n DATA ( CS_REF( IO3O3P_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 8.225669E-19, 2.738969E-19, 1.042280E-19, 4.515059E-20, \n & 6.450503E-21, 2.109681E-23, 1.684420E-21 /\n DATA ( CS_REF( IO3O3P_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 8.225669E-19, 2.738969E-19, 1.042280E-19, 4.515059E-20, \n & 6.450503E-21, 2.109681E-23, 1.684420E-21 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IO3O3P_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 6.221909E-02, 4.386296E-02, 4.630244E-01, 7.869666E-01, \n & 9.554292E-01, 1.000000E+00, 1.000000E+00 /\n DATA ( QY_REF( IO3O3P_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 6.221909E-02, 4.386296E-02, 4.630244E-01, 7.869666E-01, \n & 9.554292E-01, 1.000000E+00, 1.000000E+00 /\n DATA ( QY_REF( IO3O3P_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 6.221909E-02, 4.386296E-02, 4.630244E-01, 7.869666E-01, \n & 9.554292E-01, 1.000000E+00, 1.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IO3O3P_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.220116E-20, 1.121303E-20, 4.453936E-20, 3.505516E-20, \n & 5.972207E-21, 2.109681E-23, 1.684420E-21 /\n DATA ( ECS_REF( IO3O3P_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 5.220116E-20, 1.121303E-20, 4.453936E-20, 3.505516E-20, \n & 5.972207E-21, 2.109681E-23, 1.684420E-21 /\n DATA ( ECS_REF( IO3O3P_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 5.220116E-20, 1.121303E-20, 4.453936E-20, 3.505516E-20, \n & 5.972207E-21, 2.109681E-23, 1.684420E-21 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IO3O3P_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 6.346130E-02, 4.093885E-02, 4.273264E-01, 7.764055E-01, \n & 9.258513E-01, 1.000000E+00, 1.000000E+00 /\n DATA ( EQY_REF( IO3O3P_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 6.346130E-02, 4.093885E-02, 4.273264E-01, 7.764055E-01, \n & 9.258513E-01, 1.000000E+00, 1.000000E+00 /\n DATA ( EQY_REF( IO3O3P_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 6.346130E-02, 4.093885E-02, 4.273264E-01, 7.764055E-01, \n & 9.258513E-01, 1.000000E+00, 1.000000E+00 /\n\n\nC...O3O1D_SAPRC99\nC.. O3 + HV = O1D + O2\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\nC.. Absorption cross sections from NASA (1999), using wavelength which is cente\nC.. r of intervals shown.\nC.. Quantum yields from IUPAC, Supplement VI (1997).\nC.. No quantum yield recommendation is given for wl>335. Assume they decrease\nC.. linearly to zero at 340 nm.\nC.. Values given are interpolated for each 1 nm interval.\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IO3O1D_SAPRC99 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IO3O1D_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.225669E-19, 2.738969E-19, 1.042280E-19, 4.515059E-20, \n & 6.267941E-21, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IO3O1D_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 8.225669E-19, 2.738969E-19, 1.042280E-19, 4.515059E-20, \n & 6.267941E-21, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IO3O1D_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 8.225669E-19, 2.738969E-19, 1.042280E-19, 4.515059E-20, \n & 6.267941E-21, 0.000000E+00, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IO3O1D_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.377809E-01, 9.561371E-01, 5.369756E-01, 2.130334E-01, \n & 4.457083E-02, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IO3O1D_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 9.377809E-01, 9.561371E-01, 5.369756E-01, 2.130334E-01, \n & 4.457083E-02, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IO3O1D_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 9.377809E-01, 9.561371E-01, 5.369756E-01, 2.130334E-01, \n & 4.457083E-02, 0.000000E+00, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IO3O1D_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 7.703657E-19, 2.626839E-19, 5.968862E-20, 1.009543E-20, \n & 4.782964E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IO3O1D_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 7.703657E-19, 2.626839E-19, 5.968862E-20, 1.009543E-20, \n & 4.782964E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IO3O1D_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 7.703657E-19, 2.626839E-19, 5.968862E-20, 1.009543E-20, \n & 4.782964E-22, 0.000000E+00, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IO3O1D_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.365387E-01, 9.590611E-01, 5.726736E-01, 2.235946E-01, \n & 7.630838E-02, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IO3O1D_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 9.365387E-01, 9.590611E-01, 5.726736E-01, 2.235946E-01, \n & 7.630838E-02, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IO3O1D_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 9.365387E-01, 9.590611E-01, 5.726736E-01, 2.235946E-01, \n & 7.630838E-02, 0.000000E+00, 0.000000E+00 /\n\n\nC...HONO_NO_SAPRC99\nC.. HONO + HV = HO. + NO\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IHONO_NO_SAPRC99 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IHONO_NO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 1.241728E-20, 3.445791E-20, \n & 1.071895E-19, 9.424301E-20, 0.000000E+00 /\n DATA ( CS_REF( IHONO_NO_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 1.241728E-20, 3.445791E-20, \n & 1.071895E-19, 9.424301E-20, 0.000000E+00 /\n DATA ( CS_REF( IHONO_NO_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 1.241728E-20, 3.445791E-20, \n & 1.071895E-19, 9.424301E-20, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IHONO_NO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 2.852223E-01, 4.683687E-01, \n & 6.446996E-01, 7.147868E-01, 0.000000E+00 /\n DATA ( QY_REF( IHONO_NO_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 2.852223E-01, 4.683687E-01, \n & 6.446996E-01, 7.147868E-01, 0.000000E+00 /\n DATA ( QY_REF( IHONO_NO_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 2.852223E-01, 4.683687E-01, \n & 6.446996E-01, 7.147868E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IHONO_NO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 5.159218E-21, 1.631716E-20, \n & 7.201626E-20, 8.904415E-20, 0.000000E+00 /\n DATA ( ECS_REF( IHONO_NO_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 5.159218E-21, 1.631716E-20, \n & 7.201626E-20, 8.904415E-20, 0.000000E+00 /\n DATA ( ECS_REF( IHONO_NO_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 5.159218E-21, 1.631716E-20, \n & 7.201626E-20, 8.904415E-20, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IHONO_NO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 4.154868E-01, 4.735389E-01, \n & 6.718590E-01, 9.448357E-01, 0.000000E+00 /\n DATA ( EQY_REF( IHONO_NO_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 4.154868E-01, 4.735389E-01, \n & 6.718590E-01, 9.448357E-01, 0.000000E+00 /\n DATA ( EQY_REF( IHONO_NO_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 4.154868E-01, 4.735389E-01, \n & 6.718590E-01, 9.448357E-01, 0.000000E+00 /\n\n\nC...HONO_NO2_SAPRC99\nC.. HONO + HV = H. + NO2\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IHONO_NO2_SAPRC99 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IHONO_NO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 1.241728E-20, 3.445791E-20, \n & 1.071895E-19, 4.548377E-20, 0.000000E+00 /\n DATA ( CS_REF( IHONO_NO2_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 1.241728E-20, 3.445791E-20, \n & 1.071895E-19, 4.548377E-20, 0.000000E+00 /\n DATA ( CS_REF( IHONO_NO2_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 1.241728E-20, 3.445791E-20, \n & 1.071895E-19, 4.548377E-20, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IHONO_NO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 4.037597E-01, 5.316312E-01, \n & 3.553004E-01, 3.117437E-02, 0.000000E+00 /\n DATA ( QY_REF( IHONO_NO2_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 4.037597E-01, 5.316312E-01, \n & 3.553004E-01, 3.117437E-02, 0.000000E+00 /\n DATA ( QY_REF( IHONO_NO2_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 4.037597E-01, 5.316312E-01, \n & 3.553004E-01, 3.117437E-02, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IHONO_NO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 7.256632E-21, 1.814075E-20, \n & 3.517327E-20, 5.198806E-21, 0.000000E+00 /\n DATA ( ECS_REF( IHONO_NO2_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 7.256632E-21, 1.814075E-20, \n & 3.517327E-20, 5.198806E-21, 0.000000E+00 /\n DATA ( ECS_REF( IHONO_NO2_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 7.256632E-21, 1.814075E-20, \n & 3.517327E-20, 5.198806E-21, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IHONO_NO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 5.843977E-01, 5.264611E-01, \n & 3.281410E-01, 1.143003E-01, 0.000000E+00 /\n DATA ( EQY_REF( IHONO_NO2_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 5.843977E-01, 5.264611E-01, \n & 3.281410E-01, 1.143003E-01, 0.000000E+00 /\n DATA ( EQY_REF( IHONO_NO2_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 5.843977E-01, 5.264611E-01, \n & 3.281410E-01, 1.143003E-01, 0.000000E+00 /\n\n\nC...HNO3_SAPRC99\nC.. HNO3 + HV = products\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IHNO3_SAPRC99 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IHNO3_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.351450E-21, 1.958802E-21, 8.418979E-22, 3.681581E-22, \n & 5.035483E-23, 4.637400E-25, 0.000000E+00 /\n DATA ( CS_REF( IHNO3_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.351450E-21, 1.958802E-21, 8.418979E-22, 3.681581E-22, \n & 5.035483E-23, 4.637400E-25, 0.000000E+00 /\n DATA ( CS_REF( IHNO3_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.351450E-21, 1.958802E-21, 8.418979E-22, 3.681581E-22, \n & 5.035483E-23, 4.637400E-25, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IHNO3_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.351202E-01, 0.000000E+00 /\n DATA ( QY_REF( IHNO3_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.351202E-01, 0.000000E+00 /\n DATA ( QY_REF( IHNO3_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.351202E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IHNO3_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.351450E-21, 1.958802E-21, 8.418979E-22, 3.681581E-22, \n & 5.035483E-23, 4.637264E-25, 0.000000E+00 /\n DATA ( ECS_REF( IHNO3_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.351450E-21, 1.958802E-21, 8.418979E-22, 3.681581E-22, \n & 5.035483E-23, 4.637264E-25, 0.000000E+00 /\n DATA ( ECS_REF( IHNO3_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.351450E-21, 1.958802E-21, 8.418979E-22, 3.681581E-22, \n & 5.035483E-23, 4.637264E-25, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IHNO3_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999707E-01, 0.000000E+00 /\n DATA ( EQY_REF( IHNO3_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999707E-01, 0.000000E+00 /\n DATA ( EQY_REF( IHNO3_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999707E-01, 0.000000E+00 /\n\n\nC...HO2NO2_SAPRC99\nC.. HO2NO2 + HV = PRODUCTS\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IHO2NO2_SAPRC99 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IHO2NO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.585970E-20, 1.082016E-20, 5.509709E-21, 3.477366E-21, \n & 6.721352E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IHO2NO2_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 2.585970E-20, 1.082016E-20, 5.509709E-21, 3.477366E-21, \n & 6.721352E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IHO2NO2_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 2.585970E-20, 1.082016E-20, 5.509709E-21, 3.477366E-21, \n & 6.721352E-22, 0.000000E+00, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IHO2NO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 5.950289E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IHO2NO2_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 5.950289E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IHO2NO2_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 5.950289E-01, 0.000000E+00, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IHO2NO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.585970E-20, 1.082016E-20, 5.509709E-21, 3.477366E-21, \n & 6.721305E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IHO2NO2_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 2.585970E-20, 1.082016E-20, 5.509709E-21, 3.477366E-21, \n & 6.721305E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IHO2NO2_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 2.585970E-20, 1.082016E-20, 5.509709E-21, 3.477366E-21, \n & 6.721305E-22, 0.000000E+00, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IHO2NO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.999929E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IHO2NO2_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.999929E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IHO2NO2_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.999929E-01, 0.000000E+00, 0.000000E+00 /\n\n\nC...H2O2_SAPRC99\nC.. H2O2 + HV = 2 OH\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IH2O2_SAPRC99 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IH2O2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.342335E-21, 5.777204E-21, 3.914159E-21, 2.732004E-21, \n & 1.162692E-21, 4.309158E-23, 0.000000E+00 /\n DATA ( CS_REF( IH2O2_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 9.342335E-21, 5.777204E-21, 3.914159E-21, 2.732004E-21, \n & 1.162692E-21, 4.309158E-23, 0.000000E+00 /\n DATA ( CS_REF( IH2O2_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 9.342335E-21, 5.777204E-21, 3.914159E-21, 2.732004E-21, \n & 1.162692E-21, 4.309158E-23, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IH2O2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.351202E-01, 0.000000E+00 /\n DATA ( QY_REF( IH2O2_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.351202E-01, 0.000000E+00 /\n DATA ( QY_REF( IH2O2_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.351202E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IH2O2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.342335E-21, 5.777204E-21, 3.914159E-21, 2.732004E-21, \n & 1.162692E-21, 4.309022E-23, 0.000000E+00 /\n DATA ( ECS_REF( IH2O2_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 9.342335E-21, 5.777204E-21, 3.914159E-21, 2.732004E-21, \n & 1.162692E-21, 4.309022E-23, 0.000000E+00 /\n DATA ( ECS_REF( IH2O2_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 9.342335E-21, 5.777204E-21, 3.914159E-21, 2.732004E-21, \n & 1.162692E-21, 4.309022E-23, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IH2O2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999685E-01, 0.000000E+00 /\n DATA ( EQY_REF( IH2O2_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999685E-01, 0.000000E+00 /\n DATA ( EQY_REF( IH2O2_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999685E-01, 0.000000E+00 /\n\n\nC...HCHO_R_SAPRC99\nC.. HCHO + HV = HCO + H\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IHCHO_R_SAPRC99 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IHCHO_R_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.125415E-20, 3.307976E-20, 1.602210E-20, 3.138593E-20, \n & 1.421334E-20, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IHCHO_R_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 3.125415E-20, 3.307976E-20, 1.602210E-20, 3.138593E-20, \n & 1.421334E-20, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IHCHO_R_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 3.125415E-20, 3.307976E-20, 1.602210E-20, 3.138593E-20, \n & 1.421334E-20, 0.000000E+00, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IHCHO_R_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 7.531340E-01, 7.793137E-01, 7.691399E-01, 6.777878E-01, \n & 2.204757E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IHCHO_R_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 7.531340E-01, 7.793137E-01, 7.691399E-01, 6.777878E-01, \n & 2.204757E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IHCHO_R_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 7.531340E-01, 7.793137E-01, 7.691399E-01, 6.777878E-01, \n & 2.204757E-01, 0.000000E+00, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IHCHO_R_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.356318E-20, 2.578273E-20, 1.239485E-20, 2.146144E-20, \n & 4.031781E-21, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IHCHO_R_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 2.356318E-20, 2.578273E-20, 1.239485E-20, 2.146144E-20, \n & 4.031781E-21, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IHCHO_R_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 2.356318E-20, 2.578273E-20, 1.239485E-20, 2.146144E-20, \n & 4.031781E-21, 0.000000E+00, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IHCHO_R_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 7.539216E-01, 7.794110E-01, 7.736096E-01, 6.837917E-01, \n & 2.836617E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IHCHO_R_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 7.539216E-01, 7.794110E-01, 7.736096E-01, 6.837917E-01, \n & 2.836617E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IHCHO_R_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 7.539216E-01, 7.794110E-01, 7.736096E-01, 6.837917E-01, \n & 2.836617E-01, 0.000000E+00, 0.000000E+00 /\n\n\nC...HCHO_M_SAPRC99\nC.. HCHO + HV = H2 + CO\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IHCHO_M_SAPRC99 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IHCHO_M_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.125415E-20, 3.307976E-20, 1.602210E-20, 3.138593E-20, \n & 1.672116E-20, 8.398104E-22, 0.000000E+00 /\n DATA ( CS_REF( IHCHO_M_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 3.125415E-20, 3.307976E-20, 1.602210E-20, 3.138593E-20, \n & 1.672116E-20, 8.398104E-22, 0.000000E+00 /\n DATA ( CS_REF( IHCHO_M_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 3.125415E-20, 3.307976E-20, 1.602210E-20, 3.138593E-20, \n & 1.672116E-20, 8.398104E-22, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IHCHO_M_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.261196E-01, 2.137055E-01, 2.302355E-01, 3.221780E-01, \n & 5.534477E-01, 3.537201E-02, 0.000000E+00 /\n DATA ( QY_REF( IHCHO_M_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 2.261196E-01, 2.137055E-01, 2.302355E-01, 3.221780E-01, \n & 5.534477E-01, 3.537201E-02, 0.000000E+00 /\n DATA ( QY_REF( IHCHO_M_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 2.261196E-01, 2.137055E-01, 2.302355E-01, 3.221780E-01, \n & 5.534477E-01, 3.537201E-02, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IHCHO_M_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 7.052405E-21, 7.086060E-21, 3.613880E-21, 9.924044E-21, \n & 9.369489E-21, 1.337857E-22, 0.000000E+00 /\n DATA ( ECS_REF( IHCHO_M_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 7.052405E-21, 7.086060E-21, 3.613880E-21, 9.924044E-21, \n & 9.369489E-21, 1.337857E-22, 0.000000E+00 /\n DATA ( ECS_REF( IHCHO_M_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 7.052405E-21, 7.086060E-21, 3.613880E-21, 9.924044E-21, \n & 9.369489E-21, 1.337857E-22, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IHCHO_M_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.256470E-01, 2.142113E-01, 2.255560E-01, 3.161941E-01, \n & 5.603374E-01, 1.593047E-01, 0.000000E+00 /\n DATA ( EQY_REF( IHCHO_M_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 2.256470E-01, 2.142113E-01, 2.255560E-01, 3.161941E-01, \n & 5.603374E-01, 1.593047E-01, 0.000000E+00 /\n DATA ( EQY_REF( IHCHO_M_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 2.256470E-01, 2.142113E-01, 2.255560E-01, 3.161941E-01, \n & 5.603374E-01, 1.593047E-01, 0.000000E+00 /\n\n\nC...CCHO_R_SAPRC99\nC.. CCHO + HV = CH3 + CHO\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, ICCHO_R_SAPRC99 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( ICCHO_R_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.431909E-20, 3.721389E-20, 2.926475E-20, 2.113278E-20, \n & 4.007796E-21, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( ICCHO_R_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.431909E-20, 3.721389E-20, 2.926475E-20, 2.113278E-20, \n & 4.007796E-21, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( ICCHO_R_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.431909E-20, 3.721389E-20, 2.926475E-20, 2.113278E-20, \n & 4.007796E-21, 0.000000E+00, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( ICCHO_R_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.837319E-01, 3.903790E-01, 2.837039E-01, 1.548971E-01, \n & 1.542570E-02, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( ICCHO_R_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.837319E-01, 3.903790E-01, 2.837039E-01, 1.548971E-01, \n & 1.542570E-02, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( ICCHO_R_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.837319E-01, 3.903790E-01, 2.837039E-01, 1.548971E-01, \n & 1.542570E-02, 0.000000E+00, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( ICCHO_R_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.146492E-20, 1.463071E-20, 8.383887E-21, 3.363618E-21, \n & 1.911978E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( ICCHO_R_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 2.146492E-20, 1.463071E-20, 8.383887E-21, 3.363618E-21, \n & 1.911978E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( ICCHO_R_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 2.146492E-20, 1.463071E-20, 8.383887E-21, 3.363618E-21, \n & 1.911978E-22, 0.000000E+00, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( ICCHO_R_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.843267E-01, 3.931520E-01, 2.864842E-01, 1.591659E-01, \n & 4.770647E-02, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( ICCHO_R_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.843267E-01, 3.931520E-01, 2.864842E-01, 1.591659E-01, \n & 4.770647E-02, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( ICCHO_R_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.843267E-01, 3.931520E-01, 2.864842E-01, 1.591659E-01, \n & 4.770647E-02, 0.000000E+00, 0.000000E+00 /\n\n\nC...C2CHO_SAPRC99\nC.. C2CHO + HV = C2H5. + CHO.\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IC2CHO_SAPRC99 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IC2CHO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.167935E-20, 4.637920E-20, 3.576927E-20, 2.454658E-20, \n & 6.109313E-21, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IC2CHO_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 3.167935E-20, 4.637920E-20, 3.576927E-20, 2.454658E-20, \n & 6.109313E-21, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IC2CHO_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 3.167935E-20, 4.637920E-20, 3.576927E-20, 2.454658E-20, \n & 6.109313E-21, 0.000000E+00, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IC2CHO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.201593E-01, 7.958030E-01, 5.938827E-01, 4.325821E-01, \n & 1.575024E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IC2CHO_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 5.201593E-01, 7.958030E-01, 5.938827E-01, 4.325821E-01, \n & 1.575024E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IC2CHO_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 5.201593E-01, 7.958030E-01, 5.938827E-01, 4.325821E-01, \n & 1.575024E-01, 0.000000E+00, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IC2CHO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.779956E-20, 3.718655E-20, 2.127446E-20, 1.085955E-20, \n & 1.479962E-21, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IC2CHO_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 2.779956E-20, 3.718655E-20, 2.127446E-20, 1.085955E-20, \n & 1.479962E-21, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IC2CHO_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 2.779956E-20, 3.718655E-20, 2.127446E-20, 1.085955E-20, \n & 1.479962E-21, 0.000000E+00, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IC2CHO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.775294E-01, 8.017938E-01, 5.947691E-01, 4.424057E-01, \n & 2.422470E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IC2CHO_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 8.775294E-01, 8.017938E-01, 5.947691E-01, 4.424057E-01, \n & 2.422470E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IC2CHO_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 8.775294E-01, 8.017938E-01, 5.947691E-01, 4.424057E-01, \n & 2.422470E-01, 0.000000E+00, 0.000000E+00 /\n\n\nC...ACETONE_SAPRC99\nC.. ACETONE + HV = CH3CO. + CH3.\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IACETONE_SAPRC99 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IACETONE_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.561990E-20, 2.349588E-20, 1.406119E-20, 7.586603E-21, \n & 8.979676E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IACETONE_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 3.561990E-20, 2.349588E-20, 1.406119E-20, 7.586603E-21, \n & 8.979676E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IACETONE_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 3.561990E-20, 2.349588E-20, 1.406119E-20, 7.586603E-21, \n & 8.979676E-22, 0.000000E+00, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IACETONE_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.239195E-01, 1.144415E-01, 5.779590E-02, 2.891370E-02, \n & 4.679137E-03, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IACETONE_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 2.239195E-01, 1.144415E-01, 5.779590E-02, 2.891370E-02, \n & 4.679137E-03, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IACETONE_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 2.239195E-01, 1.144415E-01, 5.779590E-02, 2.891370E-02, \n & 4.679137E-03, 0.000000E+00, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IACETONE_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.080394E-21, 2.785339E-21, 8.292822E-22, 2.351871E-22, \n & 9.267896E-24, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IACETONE_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 8.080394E-21, 2.785339E-21, 8.292822E-22, 2.351871E-22, \n & 9.267896E-24, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IACETONE_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 8.080394E-21, 2.785339E-21, 8.292822E-22, 2.351871E-22, \n & 9.267896E-24, 0.000000E+00, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IACETONE_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.268505E-01, 1.185458E-01, 5.897669E-02, 3.100031E-02, \n & 1.032097E-02, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IACETONE_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 2.268505E-01, 1.185458E-01, 5.897669E-02, 3.100031E-02, \n & 1.032097E-02, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IACETONE_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 2.268505E-01, 1.185458E-01, 5.897669E-02, 3.100031E-02, \n & 1.032097E-02, 0.000000E+00, 0.000000E+00 /\n\n\nC...KETONE_SAPRC99\nC.. Methyl Ethyl Ketone Absorption Cross Sections\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IKETONE_SAPRC99 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IKETONE_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.251486E-20, 2.719476E-20, 1.560863E-20, 7.734724E-21, \n & 8.026588E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IKETONE_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.251486E-20, 2.719476E-20, 1.560863E-20, 7.734724E-21, \n & 8.026588E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IKETONE_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.251486E-20, 2.719476E-20, 1.560863E-20, 7.734724E-21, \n & 8.026588E-22, 0.000000E+00, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IKETONE_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.251229E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IKETONE_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.251229E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IKETONE_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.251229E-01, 0.000000E+00, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IKETONE_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.251486E-20, 2.719476E-20, 1.560863E-20, 7.734724E-21, \n & 8.026587E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IKETONE_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.251486E-20, 2.719476E-20, 1.560863E-20, 7.734724E-21, \n & 8.026587E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IKETONE_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.251486E-20, 2.719476E-20, 1.560863E-20, 7.734724E-21, \n & 8.026587E-22, 0.000000E+00, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IKETONE_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.999999E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IKETONE_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.999999E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IKETONE_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.999999E-01, 0.000000E+00, 0.000000E+00 /\n\n\nC...COOH_SAPRC99\nC.. CH3OOH + HV = PRODUCTS\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, ICOOH_SAPRC99 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( ICOOH_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.617454E-21, 3.528208E-21, 2.405066E-21, 1.705886E-21, \n & 7.383624E-22, 6.232370E-23, 0.000000E+00 /\n DATA ( CS_REF( ICOOH_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 5.617454E-21, 3.528208E-21, 2.405066E-21, 1.705886E-21, \n & 7.383624E-22, 6.232370E-23, 0.000000E+00 /\n DATA ( CS_REF( ICOOH_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 5.617454E-21, 3.528208E-21, 2.405066E-21, 1.705886E-21, \n & 7.383624E-22, 6.232370E-23, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( ICOOH_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 3.407560E-01, 0.000000E+00 /\n DATA ( QY_REF( ICOOH_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 3.407560E-01, 0.000000E+00 /\n DATA ( QY_REF( ICOOH_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 3.407560E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( ICOOH_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.617454E-21, 3.528208E-21, 2.405066E-21, 1.705886E-21, \n & 7.383624E-22, 6.232326E-23, 0.000000E+00 /\n DATA ( ECS_REF( ICOOH_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 5.617454E-21, 3.528208E-21, 2.405066E-21, 1.705886E-21, \n & 7.383624E-22, 6.232326E-23, 0.000000E+00 /\n DATA ( ECS_REF( ICOOH_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 5.617454E-21, 3.528208E-21, 2.405066E-21, 1.705886E-21, \n & 7.383624E-22, 6.232326E-23, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( ICOOH_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999929E-01, 0.000000E+00 /\n DATA ( EQY_REF( ICOOH_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999929E-01, 0.000000E+00 /\n DATA ( EQY_REF( ICOOH_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999929E-01, 0.000000E+00 /\n\n\nC...GLY_R_SAPRC99\nC.. Glyoxal + hv = 2 HCO\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IGLY_R_SAPRC99 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IGLY_R_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.308047E-20, 3.068909E-20, 2.760725E-20, 2.078190E-20, \n & 6.738002E-21, 1.898477E-20, 1.296601E-21 /\n DATA ( CS_REF( IGLY_R_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 3.308047E-20, 3.068909E-20, 2.760725E-20, 2.078190E-20, \n & 6.738002E-21, 1.898477E-20, 1.296601E-21 /\n DATA ( CS_REF( IGLY_R_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 3.308047E-20, 3.068909E-20, 2.760725E-20, 2.078190E-20, \n & 6.738002E-21, 1.898477E-20, 1.296601E-21 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IGLY_R_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 5.823931E-01, 0.000000E+00 /\n DATA ( QY_REF( IGLY_R_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 5.823931E-01, 0.000000E+00 /\n DATA ( QY_REF( IGLY_R_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 5.823931E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IGLY_R_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.308047E-20, 3.068909E-20, 2.760725E-20, 2.078190E-20, \n & 6.738002E-21, 4.341389E-21, 0.000000E+00 /\n DATA ( ECS_REF( IGLY_R_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 3.308047E-20, 3.068909E-20, 2.760725E-20, 2.078190E-20, \n & 6.738002E-21, 4.341389E-21, 0.000000E+00 /\n DATA ( ECS_REF( IGLY_R_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 3.308047E-20, 3.068909E-20, 2.760725E-20, 2.078190E-20, \n & 6.738002E-21, 4.341389E-21, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IGLY_R_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 2.286774E-01, 0.000000E+00 /\n DATA ( EQY_REF( IGLY_R_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 2.286774E-01, 0.000000E+00 /\n DATA ( EQY_REF( IGLY_R_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 2.286774E-01, 0.000000E+00 /\n\n\nC...GLY_ABS_SAPRC99\nC.. Glyoxal Absorption Cross Sections\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IGLY_ABS_SAPRC99 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IGLY_ABS_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.308047E-20, 3.068909E-20, 2.760725E-20, 2.078190E-20, \n & 6.738002E-21, 1.898477E-20, 1.424838E-20 /\n DATA ( CS_REF( IGLY_ABS_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 3.308047E-20, 3.068909E-20, 2.760725E-20, 2.078190E-20, \n & 6.738002E-21, 1.898477E-20, 1.424838E-20 /\n DATA ( CS_REF( IGLY_ABS_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 3.308047E-20, 3.068909E-20, 2.760725E-20, 2.078190E-20, \n & 6.738002E-21, 1.898477E-20, 1.424838E-20 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IGLY_ABS_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.777996E-01 /\n DATA ( QY_REF( IGLY_ABS_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.777996E-01 /\n DATA ( QY_REF( IGLY_ABS_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.777996E-01 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IGLY_ABS_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.308047E-20, 3.068909E-20, 2.760725E-20, 2.078190E-20, \n & 6.738002E-21, 1.898477E-20, 1.424838E-20 /\n DATA ( ECS_REF( IGLY_ABS_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 3.308047E-20, 3.068909E-20, 2.760725E-20, 2.078190E-20, \n & 6.738002E-21, 1.898477E-20, 1.424838E-20 /\n DATA ( ECS_REF( IGLY_ABS_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 3.308047E-20, 3.068909E-20, 2.760725E-20, 2.078190E-20, \n & 6.738002E-21, 1.898477E-20, 1.424838E-20 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IGLY_ABS_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.000000E+00 /\n DATA ( EQY_REF( IGLY_ABS_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.000000E+00 /\n DATA ( EQY_REF( IGLY_ABS_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.000000E+00 /\n\n\nC...MGLY_ADJ_SAPRC99\nC.. MGLY + HV = PRODUCTS\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IMGLY_ADJ_SAPRC99 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IMGLY_ADJ_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.410857E-20, 3.510266E-20, 2.357658E-20, 1.820124E-20, \n & 6.164736E-21, 3.464746E-20, 3.074720E-21 /\n DATA ( CS_REF( IMGLY_ADJ_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.410857E-20, 3.510266E-20, 2.357658E-20, 1.820124E-20, \n & 6.164736E-21, 3.464746E-20, 3.074720E-21 /\n DATA ( CS_REF( IMGLY_ADJ_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.410857E-20, 3.510266E-20, 2.357658E-20, 1.820124E-20, \n & 6.164736E-21, 3.464746E-20, 3.074720E-21 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IMGLY_ADJ_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.993793E-01, 4.093204E-01, 0.000000E+00 /\n DATA ( QY_REF( IMGLY_ADJ_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.993793E-01, 4.093204E-01, 0.000000E+00 /\n DATA ( QY_REF( IMGLY_ADJ_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.993793E-01, 4.093204E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IMGLY_ADJ_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.410857E-20, 3.510266E-20, 2.357658E-20, 1.820124E-20, \n & 6.162925E-21, 6.143782E-21, 0.000000E+00 /\n DATA ( ECS_REF( IMGLY_ADJ_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.410857E-20, 3.510266E-20, 2.357658E-20, 1.820124E-20, \n & 6.162925E-21, 6.143782E-21, 0.000000E+00 /\n DATA ( ECS_REF( IMGLY_ADJ_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.410857E-20, 3.510266E-20, 2.357658E-20, 1.820124E-20, \n & 6.162925E-21, 6.143782E-21, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IMGLY_ADJ_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.997061E-01, 1.773227E-01, 0.000000E+00 /\n DATA ( EQY_REF( IMGLY_ADJ_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.997061E-01, 1.773227E-01, 0.000000E+00 /\n DATA ( EQY_REF( IMGLY_ADJ_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.997061E-01, 1.773227E-01, 0.000000E+00 /\n\n\nC...BACL_ADJ_SAPRC99\nC.. BACL + HV = PRODUCTS\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IBACL_ADJ_SAPRC99 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IBACL_ADJ_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.614094E-20, 1.589884E-20, 9.010759E-21, 6.016450E-21, \n & 4.659123E-21, 3.061080E-20, 8.938935E-21 /\n DATA ( CS_REF( IBACL_ADJ_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 2.614094E-20, 1.589884E-20, 9.010759E-21, 6.016450E-21, \n & 4.659123E-21, 3.061080E-20, 8.938935E-21 /\n DATA ( CS_REF( IBACL_ADJ_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 2.614094E-20, 1.589884E-20, 9.010759E-21, 6.016450E-21, \n & 4.659123E-21, 3.061080E-20, 8.938935E-21 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IBACL_ADJ_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 5.562430E-01, 1.901927E-03 /\n DATA ( QY_REF( IBACL_ADJ_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 5.562430E-01, 1.901927E-03 /\n DATA ( QY_REF( IBACL_ADJ_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 5.562430E-01, 1.901927E-03 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IBACL_ADJ_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.614094E-20, 1.589884E-20, 9.010759E-21, 6.016450E-21, \n & 4.659123E-21, 1.199574E-20, 1.289835E-22 /\n DATA ( ECS_REF( IBACL_ADJ_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 2.614094E-20, 1.589884E-20, 9.010759E-21, 6.016450E-21, \n & 4.659123E-21, 1.199574E-20, 1.289835E-22 /\n DATA ( ECS_REF( IBACL_ADJ_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 2.614094E-20, 1.589884E-20, 9.010759E-21, 6.016450E-21, \n & 4.659123E-21, 1.199574E-20, 1.289835E-22 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IBACL_ADJ_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 3.918793E-01, 1.442940E-02 /\n DATA ( EQY_REF( IBACL_ADJ_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 3.918793E-01, 1.442940E-02 /\n DATA ( EQY_REF( IBACL_ADJ_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 3.918793E-01, 1.442940E-02 /\n\n\nC...BZCHO_SAPRC99\nC.. Benzaldehyde absorbtion coefs in n-Hexane\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IBZCHO_SAPRC99 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IBZCHO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 9.365009E-20, 6.611635E-20, 6.728674E-20, \n & 8.232216E-20, 3.125745E-20, 0.000000E+00 /\n DATA ( CS_REF( IBZCHO_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 9.365009E-20, 6.611635E-20, 6.728674E-20, \n & 8.232216E-20, 3.125745E-20, 0.000000E+00 /\n DATA ( CS_REF( IBZCHO_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 9.365009E-20, 6.611635E-20, 6.728674E-20, \n & 8.232216E-20, 3.125745E-20, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IBZCHO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 9.392353E-01, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 5.550116E-01, 0.000000E+00 /\n DATA ( QY_REF( IBZCHO_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 9.392353E-01, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 5.550116E-01, 0.000000E+00 /\n DATA ( QY_REF( IBZCHO_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 9.392353E-01, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 5.550116E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IBZCHO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 9.361427E-20, 6.611635E-20, 6.728674E-20, \n & 8.232216E-20, 3.125741E-20, 0.000000E+00 /\n DATA ( ECS_REF( IBZCHO_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 9.361427E-20, 6.611635E-20, 6.728674E-20, \n & 8.232216E-20, 3.125741E-20, 0.000000E+00 /\n DATA ( ECS_REF( IBZCHO_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 9.361427E-20, 6.611635E-20, 6.728674E-20, \n & 8.232216E-20, 3.125741E-20, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IBZCHO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 9.996175E-01, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999987E-01, 0.000000E+00 /\n DATA ( EQY_REF( IBZCHO_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 9.996175E-01, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999987E-01, 0.000000E+00 /\n DATA ( EQY_REF( IBZCHO_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 9.996175E-01, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999987E-01, 0.000000E+00 /\n\n\nC...ACROLEIN_SAPRC99\nC.. Absorption cross sections for Acrolein.\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IACROLEIN_SAPRC99 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IACROLEIN_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.121896E-20, 3.142855E-20, 4.087763E-20, 4.828621E-20, \n & 5.748912E-20, 1.354352E-20, 0.000000E+00 /\n DATA ( CS_REF( IACROLEIN_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 2.121896E-20, 3.142855E-20, 4.087763E-20, 4.828621E-20, \n & 5.748912E-20, 1.354352E-20, 0.000000E+00 /\n DATA ( CS_REF( IACROLEIN_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 2.121896E-20, 3.142855E-20, 4.087763E-20, 4.828621E-20, \n & 5.748912E-20, 1.354352E-20, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IACROLEIN_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 4.990738E-01, 0.000000E+00 /\n DATA ( QY_REF( IACROLEIN_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 4.990738E-01, 0.000000E+00 /\n DATA ( QY_REF( IACROLEIN_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 4.990738E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IACROLEIN_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.121896E-20, 3.142855E-20, 4.087763E-20, 4.828621E-20, \n & 5.748912E-20, 1.354352E-20, 0.000000E+00 /\n DATA ( ECS_REF( IACROLEIN_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 2.121896E-20, 3.142855E-20, 4.087763E-20, 4.828621E-20, \n & 5.748912E-20, 1.354352E-20, 0.000000E+00 /\n DATA ( ECS_REF( IACROLEIN_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 2.121896E-20, 3.142855E-20, 4.087763E-20, 4.828621E-20, \n & 5.748912E-20, 1.354352E-20, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IACROLEIN_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IACROLEIN_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IACROLEIN_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 0.000000E+00 /\n\n\nC...IC3ONO2_SAPRC99\nC.. I-C3H7ONO2 + HV = PRODUCTS\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IIC3ONO2_SAPRC99 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IIC3ONO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.253602E-20, 6.362722E-21, 3.273374E-21, 1.721527E-21, \n & 2.837941E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IIC3ONO2_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.253602E-20, 6.362722E-21, 3.273374E-21, 1.721527E-21, \n & 2.837941E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IIC3ONO2_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.253602E-20, 6.362722E-21, 3.273374E-21, 1.721527E-21, \n & 2.837941E-22, 0.000000E+00, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IIC3ONO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 5.950289E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IIC3ONO2_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 5.950289E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IIC3ONO2_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 5.950289E-01, 0.000000E+00, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IIC3ONO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.253602E-20, 6.362722E-21, 3.273374E-21, 1.721527E-21, \n & 2.837921E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IIC3ONO2_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.253602E-20, 6.362722E-21, 3.273374E-21, 1.721527E-21, \n & 2.837921E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IIC3ONO2_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.253602E-20, 6.362722E-21, 3.273374E-21, 1.721527E-21, \n & 2.837921E-22, 0.000000E+00, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IIC3ONO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.999931E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IIC3ONO2_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.999931E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IIC3ONO2_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.999931E-01, 0.000000E+00, 0.000000E+00 /\n\n\nC...MGLY_ABS_SAPRC99\nC.. Methyl Glyoxal Absorption Cross Sections\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IMGLY_ABS_SAPRC99 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IMGLY_ABS_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.410857E-20, 3.510266E-20, 2.357658E-20, 1.820124E-20, \n & 6.164736E-21, 3.464746E-20, 1.505659E-20 /\n DATA ( CS_REF( IMGLY_ABS_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.410857E-20, 3.510266E-20, 2.357658E-20, 1.820124E-20, \n & 6.164736E-21, 3.464746E-20, 1.505659E-20 /\n DATA ( CS_REF( IMGLY_ABS_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.410857E-20, 3.510266E-20, 2.357658E-20, 1.820124E-20, \n & 6.164736E-21, 3.464746E-20, 1.505659E-20 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IMGLY_ABS_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 2.908495E-01 /\n DATA ( QY_REF( IMGLY_ABS_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 2.908495E-01 /\n DATA ( QY_REF( IMGLY_ABS_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 2.908495E-01 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IMGLY_ABS_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.410857E-20, 3.510266E-20, 2.357658E-20, 1.820124E-20, \n & 6.164736E-21, 3.464746E-20, 1.505659E-20 /\n DATA ( ECS_REF( IMGLY_ABS_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.410857E-20, 3.510266E-20, 2.357658E-20, 1.820124E-20, \n & 6.164736E-21, 3.464746E-20, 1.505659E-20 /\n DATA ( ECS_REF( IMGLY_ABS_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.410857E-20, 3.510266E-20, 2.357658E-20, 1.820124E-20, \n & 6.164736E-21, 3.464746E-20, 1.505659E-20 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IMGLY_ABS_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.000000E+00 /\n DATA ( EQY_REF( IMGLY_ABS_SAPRC99, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.000000E+00 /\n DATA ( EQY_REF( IMGLY_ABS_SAPRC99, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.000000E+00 /\n\n\nC...O3_O3P_IUPAC04\nC.. O3 + HV = O(3P) + O2\nC.. From IUPAC Subcommittee on Gas Kinetic Data Evaluation\nC.. Data Sheet POx2, updated 2nd October 2001\nC.. Website: http://www.iupac-kinetic.ch.cam.ac.uk/\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IO3_O3P_IUPAC04 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IO3_O3P_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.208109E-19, 2.619094E-19, 1.026330E-19, 4.193888E-20, \n & 6.469928E-21, 4.985061E-23, 1.620752E-21 /\n DATA ( CS_REF( IO3_O3P_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 8.208109E-19, 2.619094E-19, 1.026330E-19, 4.193888E-20, \n & 6.469928E-21, 4.985061E-23, 1.620752E-21 /\n DATA ( CS_REF( IO3_O3P_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 8.208109E-19, 2.619094E-19, 1.026330E-19, 4.193888E-20, \n & 6.469928E-21, 4.985061E-23, 1.620752E-21 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IO3_O3P_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E-01, 1.073348E-01, 4.688335E-01, 7.772150E-01, \n & 9.126695E-01, 9.604713E-01, 8.193054E-01 /\n DATA ( QY_REF( IO3_O3P_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E-01, 1.073348E-01, 4.688335E-01, 7.772150E-01, \n & 9.126695E-01, 9.604713E-01, 8.193054E-01 /\n DATA ( QY_REF( IO3_O3P_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E-01, 1.073348E-01, 4.688335E-01, 7.772150E-01, \n & 9.126695E-01, 9.604713E-01, 8.193054E-01 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IO3_O3P_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.208109E-20, 2.749129E-20, 4.637081E-20, 3.223425E-20, \n & 5.803926E-21, 4.601414E-23, 1.620752E-21 /\n DATA ( ECS_REF( IO3_O3P_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 8.208109E-20, 2.749129E-20, 4.637081E-20, 3.223425E-20, \n & 5.803926E-21, 4.601414E-23, 1.620752E-21 /\n DATA ( ECS_REF( IO3_O3P_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 8.208109E-20, 2.749129E-20, 4.637081E-20, 3.223425E-20, \n & 5.803926E-21, 4.601414E-23, 1.620752E-21 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IO3_O3P_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E-01, 1.049649E-01, 4.518118E-01, 7.686004E-01, \n & 8.970618E-01, 9.230406E-01, 1.000000E+00 /\n DATA ( EQY_REF( IO3_O3P_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E-01, 1.049649E-01, 4.518118E-01, 7.686004E-01, \n & 8.970618E-01, 9.230406E-01, 1.000000E+00 /\n DATA ( EQY_REF( IO3_O3P_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E-01, 1.049649E-01, 4.518118E-01, 7.686004E-01, \n & 8.970618E-01, 9.230406E-01, 1.000000E+00 /\n\n\nC...O3_O1D_IUPAC04\nC.. O3 + HV = O(1D) + O2\nC.. From IUPAC Subcommittee on Gas Kinetic Data Evaluation\nC.. Data Sheet POx2, updated 2nd October 2001\nC.. Website: http://www.iupac-kinetic.ch.cam.ac.uk/\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IO3_O1D_IUPAC04 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IO3_O1D_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.208109E-19, 2.619094E-19, 1.026330E-19, 4.193888E-20, \n & 6.469928E-21, 4.795595E-23, 0.000000E+00 /\n DATA ( CS_REF( IO3_O1D_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 8.208109E-19, 2.619094E-19, 1.026330E-19, 4.193888E-20, \n & 6.469928E-21, 4.795595E-23, 0.000000E+00 /\n DATA ( CS_REF( IO3_O1D_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 8.208109E-19, 2.619094E-19, 1.026330E-19, 4.193888E-20, \n & 6.469928E-21, 4.795595E-23, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IO3_O1D_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.000000E-01, 8.926651E-01, 5.311664E-01, 2.227850E-01, \n & 8.733054E-02, 1.887175E-02, 0.000000E+00 /\n DATA ( QY_REF( IO3_O1D_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 9.000000E-01, 8.926651E-01, 5.311664E-01, 2.227850E-01, \n & 8.733054E-02, 1.887175E-02, 0.000000E+00 /\n DATA ( QY_REF( IO3_O1D_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 9.000000E-01, 8.926651E-01, 5.311664E-01, 2.227850E-01, \n & 8.733054E-02, 1.887175E-02, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IO3_O1D_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 7.387298E-19, 2.344181E-19, 5.626221E-20, 9.704640E-21, \n & 6.660025E-22, 3.836402E-24, 0.000000E+00 /\n DATA ( ECS_REF( IO3_O1D_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 7.387298E-19, 2.344181E-19, 5.626221E-20, 9.704640E-21, \n & 6.660025E-22, 3.836402E-24, 0.000000E+00 /\n DATA ( ECS_REF( IO3_O1D_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 7.387298E-19, 2.344181E-19, 5.626221E-20, 9.704640E-21, \n & 6.660025E-22, 3.836402E-24, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IO3_O1D_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.000000E-01, 8.950351E-01, 5.481882E-01, 2.313996E-01, \n & 1.029382E-01, 7.999845E-02, 0.000000E+00 /\n DATA ( EQY_REF( IO3_O1D_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 9.000000E-01, 8.950351E-01, 5.481882E-01, 2.313996E-01, \n & 1.029382E-01, 7.999845E-02, 0.000000E+00 /\n DATA ( EQY_REF( IO3_O1D_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 9.000000E-01, 8.950351E-01, 5.481882E-01, 2.313996E-01, \n & 1.029382E-01, 7.999845E-02, 0.000000E+00 /\n\n\nC...HONO_IUPAC04\nC.. HONO + HV = HO + NO\nC.. From IUPAC Subcommittee on Gas Kinetic Data Evaluation\nC.. Data Sheet PNOx1_HONO, updated 16th July 2001\nC.. Website: http://www.iupac-kinetic.ch.cam.ac.uk/\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IHONO_IUPAC04 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IHONO_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 4.758105E-21, 1.609743E-20, 3.108898E-20, \n & 9.115838E-20, 7.878995E-20, 0.000000E+00 /\n DATA ( CS_REF( IHONO_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 4.758105E-21, 1.609743E-20, 3.108898E-20, \n & 9.115838E-20, 7.878995E-20, 0.000000E+00 /\n DATA ( CS_REF( IHONO_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 4.758105E-21, 1.609743E-20, 3.108898E-20, \n & 9.115838E-20, 7.878995E-20, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IHONO_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 8.285595E-01, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 7.459611E-01, 0.000000E+00 /\n DATA ( QY_REF( IHONO_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 8.285595E-01, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 7.459611E-01, 0.000000E+00 /\n DATA ( QY_REF( IHONO_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 8.285595E-01, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 7.459611E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IHONO_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 4.758064E-21, 1.609743E-20, 3.108898E-20, \n & 9.115838E-20, 7.878991E-20, 0.000000E+00 /\n DATA ( ECS_REF( IHONO_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 4.758064E-21, 1.609743E-20, 3.108898E-20, \n & 9.115838E-20, 7.878991E-20, 0.000000E+00 /\n DATA ( ECS_REF( IHONO_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 4.758064E-21, 1.609743E-20, 3.108898E-20, \n & 9.115838E-20, 7.878991E-20, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IHONO_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 9.999914E-01, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999995E-01, 0.000000E+00 /\n DATA ( EQY_REF( IHONO_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 9.999914E-01, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999995E-01, 0.000000E+00 /\n DATA ( EQY_REF( IHONO_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 9.999914E-01, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999995E-01, 0.000000E+00 /\n\n\nC...HO2NO2_IUPAC04\nC.. HOONO2 + HV = products\nC.. From IUPAC Subcommittee on Gas Kinetic Data Evaluation\nC.. Data Sheet PNOx3_HO2NO2, updated 16th July 2001\nC.. Website: http://www.iupac-kinetic.ch.cam.ac.uk/\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IHO2NO2_IUPAC04 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IHO2NO2_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.585970E-20, 1.082016E-20, 5.509709E-21, 3.477366E-21, \n & 6.721352E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IHO2NO2_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 2.585970E-20, 1.082016E-20, 5.509709E-21, 3.477366E-21, \n & 6.721352E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IHO2NO2_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 2.585970E-20, 1.082016E-20, 5.509709E-21, 3.477366E-21, \n & 6.721352E-22, 0.000000E+00, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IHO2NO2_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 5.950289E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IHO2NO2_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 5.950289E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IHO2NO2_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 5.950289E-01, 0.000000E+00, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IHO2NO2_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.585970E-20, 1.082016E-20, 5.509709E-21, 3.477366E-21, \n & 6.721305E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IHO2NO2_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 2.585970E-20, 1.082016E-20, 5.509709E-21, 3.477366E-21, \n & 6.721305E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IHO2NO2_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 2.585970E-20, 1.082016E-20, 5.509709E-21, 3.477366E-21, \n & 6.721305E-22, 0.000000E+00, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IHO2NO2_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.999929E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IHO2NO2_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.999929E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IHO2NO2_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.999929E-01, 0.000000E+00, 0.000000E+00 /\n\n\nC...HNO3_IUPAC04\nC.. HONO2 + HV = OH + NO2\nC.. From IUPAC Subcommittee on Gas Kinetic Data Evaluation\nC.. Data Sheet PNOx2_HONO2, updated 16th July 2001\nC.. Website: http://www.iupac-kinetic.ch.cam.ac.uk/\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IHNO3_IUPAC04 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IHNO3_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.351450E-21, 1.958802E-21, 8.418979E-22, 3.681581E-22, \n & 5.035483E-23, 4.637400E-25, 0.000000E+00 /\n DATA ( CS_REF( IHNO3_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.351450E-21, 1.958802E-21, 8.418979E-22, 3.681581E-22, \n & 5.035483E-23, 4.637400E-25, 0.000000E+00 /\n DATA ( CS_REF( IHNO3_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.351450E-21, 1.958802E-21, 8.418979E-22, 3.681581E-22, \n & 5.035483E-23, 4.637400E-25, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IHNO3_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.351202E-01, 0.000000E+00 /\n DATA ( QY_REF( IHNO3_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.351202E-01, 0.000000E+00 /\n DATA ( QY_REF( IHNO3_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.351202E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IHNO3_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.351450E-21, 1.958802E-21, 8.418979E-22, 3.681581E-22, \n & 5.035483E-23, 4.637264E-25, 0.000000E+00 /\n DATA ( ECS_REF( IHNO3_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.351450E-21, 1.958802E-21, 8.418979E-22, 3.681581E-22, \n & 5.035483E-23, 4.637264E-25, 0.000000E+00 /\n DATA ( ECS_REF( IHNO3_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.351450E-21, 1.958802E-21, 8.418979E-22, 3.681581E-22, \n & 5.035483E-23, 4.637264E-25, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IHNO3_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999707E-01, 0.000000E+00 /\n DATA ( EQY_REF( IHNO3_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999707E-01, 0.000000E+00 /\n DATA ( EQY_REF( IHNO3_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999707E-01, 0.000000E+00 /\n\n\nC...N2O5_IUPAC04\nC.. N2O5 + HV = NO2 + NO3\nC.. From IUPAC Subcommittee on Gas Kinetic Data Evaluation\nC.. Data Sheet PNOx7_N2O5, updated 16th July 2001\nC.. Website: http://www.iupac-kinetic.ch.cam.ac.uk/\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IN2O5_IUPAC04 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IN2O5_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.282711E-20, 3.287780E-20, 2.187781E-20, 1.518603E-20, \n & 6.206631E-21, 6.826251E-22, 1.900982E-25 /\n DATA ( CS_REF( IN2O5_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 5.282711E-20, 3.287780E-20, 2.187781E-20, 1.518603E-20, \n & 6.206631E-21, 6.826251E-22, 1.900982E-25 /\n DATA ( CS_REF( IN2O5_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 5.282711E-20, 3.287780E-20, 2.187781E-20, 1.518603E-20, \n & 6.206631E-21, 6.826251E-22, 1.900982E-25 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IN2O5_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.225487E-01, 9.980785E-01, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.282069E-03 /\n DATA ( QY_REF( IN2O5_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 9.225487E-01, 9.980785E-01, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.282069E-03 /\n DATA ( QY_REF( IN2O5_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 9.225487E-01, 9.980785E-01, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.282069E-03 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IN2O5_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.853734E-20, 3.279835E-20, 2.187781E-20, 1.518603E-20, \n & 6.206631E-21, 6.826251E-22, 1.900108E-25 /\n DATA ( ECS_REF( IN2O5_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.853734E-20, 3.279835E-20, 2.187781E-20, 1.518603E-20, \n & 6.206631E-21, 6.826251E-22, 1.900108E-25 /\n DATA ( ECS_REF( IN2O5_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.853734E-20, 3.279835E-20, 2.187781E-20, 1.518603E-20, \n & 6.206631E-21, 6.826251E-22, 1.900108E-25 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IN2O5_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.187960E-01, 9.975836E-01, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.995402E-01 /\n DATA ( EQY_REF( IN2O5_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 9.187960E-01, 9.975836E-01, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.995402E-01 /\n DATA ( EQY_REF( IN2O5_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 9.187960E-01, 9.975836E-01, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.995402E-01 /\n\n\nC...NTR_IUPAC04\nC.. i-C3H7ONO2 + HV = iC3H7O + NO2\nC.. From IUPAC Subcommittee on Gas Kinetic Data Evaluation\nC.. Data Sheet P17_i-C3H7ONO2+hv, updated 16th July 2001\nC.. Website: http://www.iupac-kinetic.ch.cam.ac.uk/\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, INTR_IUPAC04 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( INTR_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.226895E-20, 6.122152E-21, 2.999441E-21, 1.495104E-21, \n & 2.339986E-22, 1.431077E-24, 0.000000E+00 /\n DATA ( CS_REF( INTR_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.226895E-20, 6.122152E-21, 2.999441E-21, 1.495104E-21, \n & 2.339986E-22, 1.431077E-24, 0.000000E+00 /\n DATA ( CS_REF( INTR_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.226895E-20, 6.122152E-21, 2.999441E-21, 1.495104E-21, \n & 2.339986E-22, 1.431077E-24, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( INTR_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 2.623016E-01, 0.000000E+00 /\n DATA ( QY_REF( INTR_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 2.623016E-01, 0.000000E+00 /\n DATA ( QY_REF( INTR_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 2.623016E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( INTR_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.226895E-20, 6.122152E-21, 2.999441E-21, 1.495104E-21, \n & 2.339986E-22, 1.431070E-24, 0.000000E+00 /\n DATA ( ECS_REF( INTR_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.226895E-20, 6.122152E-21, 2.999441E-21, 1.495104E-21, \n & 2.339986E-22, 1.431070E-24, 0.000000E+00 /\n DATA ( ECS_REF( INTR_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.226895E-20, 6.122152E-21, 2.999441E-21, 1.495104E-21, \n & 2.339986E-22, 1.431070E-24, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( INTR_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999954E-01, 0.000000E+00 /\n DATA ( EQY_REF( INTR_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999954E-01, 0.000000E+00 /\n DATA ( EQY_REF( INTR_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999954E-01, 0.000000E+00 /\n\n\nC...PAN_IUPAC04\nC.. CH3C(O)OONO2 + HV = CH3C(O)OO + NO2\nC.. From IUPAC Subcommittee on Gas Kinetic Data Evaluation\nC.. Data Sheet P21_CH3C(O)OONO2+hv, updated 16th July 2001\nC.. Website: http://www.iupac-kinetic.ch.cam.ac.uk/\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IPAN_IUPAC04 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IPAN_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.523355E-21, 1.420651E-21, 6.704418E-22, 3.663942E-22, \n & 9.453910E-23, 1.582222E-24, 0.000000E+00 /\n DATA ( CS_REF( IPAN_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 3.523355E-21, 1.420651E-21, 6.704418E-22, 3.663942E-22, \n & 9.453910E-23, 1.582222E-24, 0.000000E+00 /\n DATA ( CS_REF( IPAN_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 3.523355E-21, 1.420651E-21, 6.704418E-22, 3.663942E-22, \n & 9.453910E-23, 1.582222E-24, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IPAN_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 7.995215E-02, 0.000000E+00 /\n DATA ( QY_REF( IPAN_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 7.995215E-02, 0.000000E+00 /\n DATA ( QY_REF( IPAN_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 7.995215E-02, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IPAN_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.523355E-21, 1.420651E-21, 6.704418E-22, 3.663942E-22, \n & 9.453910E-23, 1.581996E-24, 0.000000E+00 /\n DATA ( ECS_REF( IPAN_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 3.523355E-21, 1.420651E-21, 6.704418E-22, 3.663942E-22, \n & 9.453910E-23, 1.581996E-24, 0.000000E+00 /\n DATA ( ECS_REF( IPAN_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 3.523355E-21, 1.420651E-21, 6.704418E-22, 3.663942E-22, \n & 9.453910E-23, 1.581996E-24, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IPAN_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.998567E-01, 0.000000E+00 /\n DATA ( EQY_REF( IPAN_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.998567E-01, 0.000000E+00 /\n DATA ( EQY_REF( IPAN_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.998567E-01, 0.000000E+00 /\n\n\nC...PACD_CB05\nC.. PACD + HV = MEO2 + OH\nC.. CB05 Photolysis data for PACD\nC.. Supplied by Greg Yarwood, 11/16/2007\nC.. Ref: Gigure, P. A. and A. W. Olmos. Sur le spectre ultraviolet de l'acide peractique et l'hydrolyse des peractates.\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IPACD_CB05 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IPACD_CB05, 1, IWLR ), IWLR = 1, 7 ) /\n & 7.747792E-22, 4.132827E-22, 2.422399E-22, 1.533387E-22, \n & 2.881389E-23, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IPACD_CB05, 2, IWLR ), IWLR = 1, 7 ) /\n & 7.747792E-22, 4.132827E-22, 2.422399E-22, 1.533387E-22, \n & 2.881389E-23, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IPACD_CB05, 3, IWLR ), IWLR = 1, 7 ) /\n & 7.747792E-22, 4.132827E-22, 2.422399E-22, 1.533387E-22, \n & 2.881389E-23, 0.000000E+00, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IPACD_CB05, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 3.826614E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IPACD_CB05, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 3.826614E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IPACD_CB05, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 3.826614E-01, 0.000000E+00, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IPACD_CB05, 1, IWLR ), IWLR = 1, 7 ) /\n & 7.747792E-22, 4.132827E-22, 2.422399E-22, 1.533387E-22, \n & 2.876751E-23, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IPACD_CB05, 2, IWLR ), IWLR = 1, 7 ) /\n & 7.747792E-22, 4.132827E-22, 2.422399E-22, 1.533387E-22, \n & 2.876751E-23, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IPACD_CB05, 3, IWLR ), IWLR = 1, 7 ) /\n & 7.747792E-22, 4.132827E-22, 2.422399E-22, 1.533387E-22, \n & 2.876751E-23, 0.000000E+00, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IPACD_CB05, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.983906E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IPACD_CB05, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.983906E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IPACD_CB05, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.983906E-01, 0.000000E+00, 0.000000E+00 /\n\n\nC...MGLY_IUPAC04\nC.. CH3COCHO + hv ---> CH3CO + HCO\nC.. From IUPAC Subcommittee on Gas Kinetic Data Evaluation; IUPAC Stern-Volmer expression\nC.. Data Sheet P6_CH3COCHO+hv.pdf, updated 16th Jan, 2003\nC.. Website: http://www.iupac-kinetic.ch.cam.ac.uk/\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IMGLY_IUPAC04 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IMGLY_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.377988E-20, 3.467536E-20, 2.425079E-20, 1.793719E-20, \n & 6.357002E-21, 3.467224E-20, 1.501109E-20 /\n DATA ( CS_REF( IMGLY_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.377988E-20, 3.467536E-20, 2.425079E-20, 1.793719E-20, \n & 6.357002E-21, 3.467224E-20, 1.501109E-20 /\n DATA ( CS_REF( IMGLY_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.377988E-20, 3.467536E-20, 2.425079E-20, 1.793719E-20, \n & 6.357002E-21, 3.467224E-20, 1.501109E-20 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IMGLY_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 5.552968E-01, 4.758768E-03 /\n DATA ( QY_REF( IMGLY_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 5.552968E-01, 4.758768E-03 /\n DATA ( QY_REF( IMGLY_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 5.552968E-01, 4.758768E-03 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IMGLY_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.377988E-20, 3.467536E-20, 2.425079E-20, 1.793719E-20, \n & 6.357002E-21, 8.277275E-21, 4.106772E-22 /\n DATA ( ECS_REF( IMGLY_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.377988E-20, 3.467536E-20, 2.425079E-20, 1.793719E-20, \n & 6.357002E-21, 8.277275E-21, 4.106772E-22 /\n DATA ( ECS_REF( IMGLY_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.377988E-20, 3.467536E-20, 2.425079E-20, 1.793719E-20, \n & 6.357002E-21, 8.277275E-21, 4.106772E-22 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IMGLY_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 2.387292E-01, 2.735824E-02 /\n DATA ( EQY_REF( IMGLY_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 2.387292E-01, 2.735824E-02 /\n DATA ( EQY_REF( IMGLY_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 2.387292E-01, 2.735824E-02 /\n\n\nC...CL2_IUPAC04\nC.. CL2 + HV = 2*CL\nC.. IUPAC Subcommittee on Gas Kinetic Data Evaluation; Data Sheet PCl11 Website: 15th December 2000\nC.. Website: http://www.iupac-kinetic.ch.cam.ac.uk\nC.. Assume these are point values (not specified in data source)\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, ICL2_IUPAC04 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( ICL2_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.837280E-20, 1.399567E-19, 1.844070E-19, 2.181722E-19, \n & 2.414089E-19, 7.097299E-20, 1.168854E-21 /\n DATA ( CS_REF( ICL2_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 8.837280E-20, 1.399567E-19, 1.844070E-19, 2.181722E-19, \n & 2.414089E-19, 7.097299E-20, 1.168854E-21 /\n DATA ( CS_REF( ICL2_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 8.837280E-20, 1.399567E-19, 1.844070E-19, 2.181722E-19, \n & 2.414089E-19, 7.097299E-20, 1.168854E-21 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( ICL2_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 2.073897E-01 /\n DATA ( QY_REF( ICL2_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 2.073897E-01 /\n DATA ( QY_REF( ICL2_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 2.073897E-01 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( ICL2_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.837280E-20, 1.399567E-19, 1.844070E-19, 2.181722E-19, \n & 2.414089E-19, 7.097299E-20, 1.168687E-21 /\n DATA ( ECS_REF( ICL2_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 8.837280E-20, 1.399567E-19, 1.844070E-19, 2.181722E-19, \n & 2.414089E-19, 7.097299E-20, 1.168687E-21 /\n DATA ( ECS_REF( ICL2_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 8.837280E-20, 1.399567E-19, 1.844070E-19, 2.181722E-19, \n & 2.414089E-19, 7.097299E-20, 1.168687E-21 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( ICL2_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.998571E-01 /\n DATA ( EQY_REF( ICL2_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.998571E-01 /\n DATA ( EQY_REF( ICL2_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.998571E-01 /\n\n\nC...HOCL_IUPAC04\nC.. HOCL + HV = HO + CL\nC.. IUPAC Subcommittee on Gas Kinetic Data Evaluation; Data Sheet PCl2 Website: 15th December 2000\nC.. Website: http://www.iupac-kinetic.ch.cam.ac.uk\nC.. Assume these are point values - not specified in data source\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IHOCL_IUPAC04 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IHOCL_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.572037E-20, 6.066260E-20, 5.955837E-20, 5.386086E-20, \n & 3.171168E-20, 6.944975E-21, 2.435396E-23 /\n DATA ( CS_REF( IHOCL_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 5.572037E-20, 6.066260E-20, 5.955837E-20, 5.386086E-20, \n & 3.171168E-20, 6.944975E-21, 2.435396E-23 /\n DATA ( CS_REF( IHOCL_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 5.572037E-20, 6.066260E-20, 5.955837E-20, 5.386086E-20, \n & 3.171168E-20, 6.944975E-21, 2.435396E-23 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IHOCL_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 2.741205E-02 /\n DATA ( QY_REF( IHOCL_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 2.741205E-02 /\n DATA ( QY_REF( IHOCL_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 2.741205E-02 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IHOCL_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.572037E-20, 6.066260E-20, 5.955837E-20, 5.386086E-20, \n & 3.171168E-20, 6.944975E-21, 2.425303E-23 /\n DATA ( ECS_REF( IHOCL_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 5.572037E-20, 6.066260E-20, 5.955837E-20, 5.386086E-20, \n & 3.171168E-20, 6.944975E-21, 2.425303E-23 /\n DATA ( ECS_REF( IHOCL_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 5.572037E-20, 6.066260E-20, 5.955837E-20, 5.386086E-20, \n & 3.171168E-20, 6.944975E-21, 2.425303E-23 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IHOCL_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.958555E-01 /\n DATA ( EQY_REF( IHOCL_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.958555E-01 /\n DATA ( EQY_REF( IHOCL_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.958555E-01 /\n\n\nC...FMCL_IUPAC04\nC.. FMCL + hv --> HCO + CL\nC.. IUPAC Subcommittee on Gas Kinetic Data Evaluation; Data Sheet PCl28 Website: 15th December 2000\nC.. Website: http://www.iupac-kinetic.ch.cam.ac.uk\nC.. Reference: H. G. Libuda, F. Zabel, E. H. Fink, and K. H. Becker, J. Phys. Chem. 94, 5860 (1990)\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IFMCL_IUPAC04 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IFMCL_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.296061E-21, 1.428731E-21, 2.229037E-22, 8.498279E-23, \n & 0.000000E+00, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IFMCL_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 5.296061E-21, 1.428731E-21, 2.229037E-22, 8.498279E-23, \n & 0.000000E+00, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IFMCL_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 5.296061E-21, 1.428731E-21, 2.229037E-22, 8.498279E-23, \n & 0.000000E+00, 0.000000E+00, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IFMCL_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 7.921222E-01, \n & 0.000000E+00, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IFMCL_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 7.921222E-01, \n & 0.000000E+00, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IFMCL_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 7.921222E-01, \n & 0.000000E+00, 0.000000E+00, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IFMCL_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.296061E-21, 1.428731E-21, 2.229037E-22, 8.480686E-23, \n & 0.000000E+00, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IFMCL_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 5.296061E-21, 1.428731E-21, 2.229037E-22, 8.480686E-23, \n & 0.000000E+00, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IFMCL_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 5.296061E-21, 1.428731E-21, 2.229037E-22, 8.480686E-23, \n & 0.000000E+00, 0.000000E+00, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IFMCL_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 9.979299E-01, \n & 0.000000E+00, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IFMCL_IUPAC04, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 9.979299E-01, \n & 0.000000E+00, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IFMCL_IUPAC04, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 9.979299E-01, \n & 0.000000E+00, 0.000000E+00, 0.000000E+00 /\n\n\nC...NO2\nC.. NO2 + HV = NO + O\nC.. From NASA (2006).\nC.. Absorption cross sections are averages for wavelength intervals given.\nC.. Data alligned to smallest wavelength intervals for abs. coefs and qy's.\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, INO2 ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( INO2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.076237E-19, 1.482865E-19, 1.884280E-19, 2.269908E-19, \n & 3.422504E-19, 5.707211E-19, 2.476857E-20 /\n DATA ( CS_REF( INO2, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.076237E-19, 1.482865E-19, 1.884280E-19, 2.269908E-19, \n & 3.422504E-19, 5.707211E-19, 2.476857E-20 /\n DATA ( CS_REF( INO2, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.076237E-19, 1.482865E-19, 1.884280E-19, 2.269908E-19, \n & 3.422504E-19, 5.707211E-19, 2.476857E-20 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( INO2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 8.354442E-01, 1.556473E-03 /\n DATA ( QY_REF( INO2, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 8.354442E-01, 1.556473E-03 /\n DATA ( QY_REF( INO2, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 8.354442E-01, 1.556473E-03 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( INO2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.076237E-19, 1.482865E-19, 1.884280E-19, 2.269908E-19, \n & 3.422504E-19, 4.705641E-19, 9.288722E-22 /\n DATA ( ECS_REF( INO2, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.076237E-19, 1.482865E-19, 1.884280E-19, 2.269908E-19, \n & 3.422504E-19, 4.705641E-19, 9.288722E-22 /\n DATA ( ECS_REF( INO2, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.076237E-19, 1.482865E-19, 1.884280E-19, 2.269908E-19, \n & 3.422504E-19, 4.705641E-19, 9.288722E-22 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( INO2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 8.245080E-01, 3.750205E-02 /\n DATA ( EQY_REF( INO2, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 8.245080E-01, 3.750205E-02 /\n DATA ( EQY_REF( INO2, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 8.245080E-01, 3.750205E-02 /\n\n\nC...O3O1D\nC.. O3 + HV = O1D + O2\nC.. NASA (2006) abs. Coefs and IUPAC (2006) quantum yields\nC.. Absorption cross sections from NASA (2006).\nC.. Quantum yields are from IUPAC (2006) recommendation, interpolated\nC.. to the NASA (2006) absorption cross section wavelengths.\nC.. NASA (2006) does not give useable recommendations for the absorption\nC.. cross sections, except at <305 and >329 nm, where they are consistent\nC.. with the IUPAC recommendations.\nC.. Formation of O1D assumed not to occur at the high wavelength band.\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IO3O1D ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IO3O1D, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.519092E-19, 2.756369E-19, 1.058103E-19, 4.660382E-20, \n & 6.954922E-21, 6.413300E-23, 0.000000E+00 /\n DATA ( CS_REF( IO3O1D, 2, IWLR ), IWLR = 1, 7 ) /\n & 8.519092E-19, 2.756369E-19, 1.058103E-19, 4.660382E-20, \n & 6.954922E-21, 6.413300E-23, 0.000000E+00 /\n DATA ( CS_REF( IO3O1D, 3, IWLR ), IWLR = 1, 7 ) /\n & 8.519092E-19, 2.756369E-19, 1.058103E-19, 4.660382E-20, \n & 6.954922E-21, 6.413300E-23, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IO3O1D, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.000000E-01, 8.926651E-01, 5.311664E-01, 2.227850E-01, \n & 8.767726E-02, 4.585904E-02, 0.000000E+00 /\n DATA ( QY_REF( IO3O1D, 2, IWLR ), IWLR = 1, 7 ) /\n & 9.000000E-01, 8.926651E-01, 5.311664E-01, 2.227850E-01, \n & 8.767726E-02, 4.585904E-02, 0.000000E+00 /\n DATA ( QY_REF( IO3O1D, 3, IWLR ), IWLR = 1, 7 ) /\n & 9.000000E-01, 8.926651E-01, 5.311664E-01, 2.227850E-01, \n & 8.767726E-02, 4.585904E-02, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IO3O1D, 1, IWLR ), IWLR = 1, 7 ) /\n & 7.667183E-19, 2.468925E-19, 5.994369E-20, 1.079729E-20, \n & 7.086030E-22, 5.114812E-24, 0.000000E+00 /\n DATA ( ECS_REF( IO3O1D, 2, IWLR ), IWLR = 1, 7 ) /\n & 7.667183E-19, 2.468925E-19, 5.994369E-20, 1.079729E-20, \n & 7.086030E-22, 5.114812E-24, 0.000000E+00 /\n DATA ( ECS_REF( IO3O1D, 3, IWLR ), IWLR = 1, 7 ) /\n & 7.667183E-19, 2.468925E-19, 5.994369E-20, 1.079729E-20, \n & 7.086030E-22, 5.114812E-24, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IO3O1D, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.000000E-01, 8.957165E-01, 5.665205E-01, 2.316824E-01, \n & 1.018851E-01, 7.975321E-02, 0.000000E+00 /\n DATA ( EQY_REF( IO3O1D, 2, IWLR ), IWLR = 1, 7 ) /\n & 9.000000E-01, 8.957165E-01, 5.665205E-01, 2.316824E-01, \n & 1.018851E-01, 7.975321E-02, 0.000000E+00 /\n DATA ( EQY_REF( IO3O1D, 3, IWLR ), IWLR = 1, 7 ) /\n & 9.000000E-01, 8.957165E-01, 5.665205E-01, 2.316824E-01, \n & 1.018851E-01, 7.975321E-02, 0.000000E+00 /\n\n\nC...O3O3P\nC.. O3 + HV = O3P + O2\nC.. Absorption cross sections from NASA (2006).\nC.. Quantum yields are derived from the O1D quantum yields in the low wavelength re\nC.. Unit quantum yields assumed in high wavelength region.\nC.. Absorption cross sections below 829 nm are extrapolated\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IO3O3P ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IO3O3P, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.387662E-19, 2.754982E-19, 1.058103E-19, 4.660382E-20, \n & 7.174786E-21, 7.032893E-23, 1.701844E-21 /\n DATA ( CS_REF( IO3O3P, 2, IWLR ), IWLR = 1, 7 ) /\n & 8.387662E-19, 2.754982E-19, 1.058103E-19, 4.660382E-20, \n & 7.174786E-21, 7.032893E-23, 1.701844E-21 /\n DATA ( CS_REF( IO3O3P, 3, IWLR ), IWLR = 1, 7 ) /\n & 8.387662E-19, 2.754982E-19, 1.058103E-19, 4.660382E-20, \n & 7.174786E-21, 7.032893E-23, 1.701844E-21 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IO3O3P, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E-01, 1.073348E-01, 4.688335E-01, 7.772150E-01, \n & 9.115356E-01, 9.541410E-01, 9.901482E-01 /\n DATA ( QY_REF( IO3O3P, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E-01, 1.073348E-01, 4.688335E-01, 7.772150E-01, \n & 9.115356E-01, 9.541410E-01, 9.901482E-01 /\n DATA ( QY_REF( IO3O3P, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E-01, 1.073348E-01, 4.688335E-01, 7.772150E-01, \n & 9.115356E-01, 9.541410E-01, 9.901482E-01 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IO3O3P, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.387662E-20, 2.873049E-20, 4.586660E-20, 3.580654E-20, \n & 6.431878E-21, 6.521411E-23, 1.701844E-21 /\n DATA ( ECS_REF( IO3O3P, 2, IWLR ), IWLR = 1, 7 ) /\n & 8.387662E-20, 2.873049E-20, 4.586660E-20, 3.580654E-20, \n & 6.431878E-21, 6.521411E-23, 1.701844E-21 /\n DATA ( ECS_REF( IO3O3P, 3, IWLR ), IWLR = 1, 7 ) /\n & 8.387662E-20, 2.873049E-20, 4.586660E-20, 3.580654E-20, \n & 6.431878E-21, 6.521411E-23, 1.701844E-21 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IO3O3P, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E-01, 1.042856E-01, 4.334796E-01, 7.683176E-01, \n & 8.964556E-01, 9.272730E-01, 1.000000E+00 /\n DATA ( EQY_REF( IO3O3P, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E-01, 1.042856E-01, 4.334796E-01, 7.683176E-01, \n & 8.964556E-01, 9.272730E-01, 1.000000E+00 /\n DATA ( EQY_REF( IO3O3P, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E-01, 1.042856E-01, 4.334796E-01, 7.683176E-01, \n & 8.964556E-01, 9.272730E-01, 1.000000E+00 /\n\n\nC...KETONE\nC.. MEK absorption cross sections\nC.. IUPAC Subcommittee on Gas Kinetic Data Evaluation Data Sheet P8\nC.. This datasheet updated: 5th December 2005.\nC.. Website: http://www.iupac-kinetic.ch.cam.ac.uk/.\nC.. Note that recommended quantum yield is 0.34 and SAPRC07T sets\nC.. value to 0.175 in mechanism definition file\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IKETONE ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IKETONE, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.163253E-20, 2.690433E-20, 1.567194E-20, 7.784590E-21, \n & 8.652938E-22, 1.986233E-25, 0.000000E+00 /\n DATA ( CS_REF( IKETONE, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.163253E-20, 2.690433E-20, 1.567194E-20, 7.784590E-21, \n & 8.652938E-22, 1.986233E-25, 0.000000E+00 /\n DATA ( CS_REF( IKETONE, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.163253E-20, 2.690433E-20, 1.567194E-20, 7.784590E-21, \n & 8.652938E-22, 1.986233E-25, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IKETONE, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 2.689541E-02, 0.000000E+00 /\n DATA ( QY_REF( IKETONE, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 2.689541E-02, 0.000000E+00 /\n DATA ( QY_REF( IKETONE, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 2.689541E-02, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IKETONE, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.163253E-20, 2.690433E-20, 1.567194E-20, 7.784590E-21, \n & 8.652938E-22, 1.984605E-25, 0.000000E+00 /\n DATA ( ECS_REF( IKETONE, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.163253E-20, 2.690433E-20, 1.567194E-20, 7.784590E-21, \n & 8.652938E-22, 1.984605E-25, 0.000000E+00 /\n DATA ( ECS_REF( IKETONE, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.163253E-20, 2.690433E-20, 1.567194E-20, 7.784590E-21, \n & 8.652938E-22, 1.984605E-25, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IKETONE, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.991803E-01, 0.000000E+00 /\n DATA ( EQY_REF( IKETONE, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.991803E-01, 0.000000E+00 /\n DATA ( EQY_REF( IKETONE, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.991803E-01, 0.000000E+00 /\n\n\nC...MGLY_ABS\nC.. Methyl Glyoxal Absorption Cross Sections\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IMGLY_ABS ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IMGLY_ABS, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.410857E-20, 3.510266E-20, 2.357658E-20, 1.820124E-20, \n & 6.164736E-21, 3.464746E-20, 1.505659E-20 /\n DATA ( CS_REF( IMGLY_ABS, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.410857E-20, 3.510266E-20, 2.357658E-20, 1.820124E-20, \n & 6.164736E-21, 3.464746E-20, 1.505659E-20 /\n DATA ( CS_REF( IMGLY_ABS, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.410857E-20, 3.510266E-20, 2.357658E-20, 1.820124E-20, \n & 6.164736E-21, 3.464746E-20, 1.505659E-20 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IMGLY_ABS, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 2.908495E-01 /\n DATA ( QY_REF( IMGLY_ABS, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 2.908495E-01 /\n DATA ( QY_REF( IMGLY_ABS, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 2.908495E-01 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IMGLY_ABS, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.410857E-20, 3.510266E-20, 2.357658E-20, 1.820124E-20, \n & 6.164736E-21, 3.464746E-20, 1.505659E-20 /\n DATA ( ECS_REF( IMGLY_ABS, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.410857E-20, 3.510266E-20, 2.357658E-20, 1.820124E-20, \n & 6.164736E-21, 3.464746E-20, 1.505659E-20 /\n DATA ( ECS_REF( IMGLY_ABS, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.410857E-20, 3.510266E-20, 2.357658E-20, 1.820124E-20, \n & 6.164736E-21, 3.464746E-20, 1.505659E-20 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IMGLY_ABS, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.000000E+00 /\n DATA ( EQY_REF( IMGLY_ABS, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.000000E+00 /\n DATA ( EQY_REF( IMGLY_ABS, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.000000E+00 /\n\n\nC...MGLY_ADJ\nC.. MGLY + HV = PRODUCTS\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IMGLY_ADJ ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IMGLY_ADJ, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.410857E-20, 3.510266E-20, 2.357658E-20, 1.820124E-20, \n & 6.164736E-21, 3.464746E-20, 3.074720E-21 /\n DATA ( CS_REF( IMGLY_ADJ, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.410857E-20, 3.510266E-20, 2.357658E-20, 1.820124E-20, \n & 6.164736E-21, 3.464746E-20, 3.074720E-21 /\n DATA ( CS_REF( IMGLY_ADJ, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.410857E-20, 3.510266E-20, 2.357658E-20, 1.820124E-20, \n & 6.164736E-21, 3.464746E-20, 3.074720E-21 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IMGLY_ADJ, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.993793E-01, 4.093204E-01, 0.000000E+00 /\n DATA ( QY_REF( IMGLY_ADJ, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.993793E-01, 4.093204E-01, 0.000000E+00 /\n DATA ( QY_REF( IMGLY_ADJ, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.993793E-01, 4.093204E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IMGLY_ADJ, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.410857E-20, 3.510266E-20, 2.357658E-20, 1.820124E-20, \n & 6.162925E-21, 6.143782E-21, 0.000000E+00 /\n DATA ( ECS_REF( IMGLY_ADJ, 2, IWLR ), IWLR = 1, 7 ) /\n & 4.410857E-20, 3.510266E-20, 2.357658E-20, 1.820124E-20, \n & 6.162925E-21, 6.143782E-21, 0.000000E+00 /\n DATA ( ECS_REF( IMGLY_ADJ, 3, IWLR ), IWLR = 1, 7 ) /\n & 4.410857E-20, 3.510266E-20, 2.357658E-20, 1.820124E-20, \n & 6.162925E-21, 6.143782E-21, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IMGLY_ADJ, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.997061E-01, 1.773227E-01, 0.000000E+00 /\n DATA ( EQY_REF( IMGLY_ADJ, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.997061E-01, 1.773227E-01, 0.000000E+00 /\n DATA ( EQY_REF( IMGLY_ADJ, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.997061E-01, 1.773227E-01, 0.000000E+00 /\n\n\nC...ACETONE\nC.. CH3-CO-CH3 + HV = Radical products\nC.. IUPAC Subcommittee on Gas Kinetic Data Evaluation Data Sheet P7\nC.. This datasheet updated: 19th December 2005.\nC.. Website: http://www.iupac-kinetic.ch.cam.ac.uk/.\nC.. IUPAC recommendations used for both absorption cross sections and quantum yield\nC.. Cross sections and quantum yields are for 298K only.\nC.. Uncertain whether the cross sections are calculated correctly from the complex\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITTR, IACETONE ), ITTR=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IACETONE, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.460821E-20, 2.278628E-20, 1.362906E-20, 7.428147E-21, \n & 9.464437E-22, 9.957367E-25, 0.000000E+00 /\n DATA ( CS_REF( IACETONE, 2, IWLR ), IWLR = 1, 7 ) /\n & 3.460821E-20, 2.278628E-20, 1.362906E-20, 7.428147E-21, \n & 9.464437E-22, 9.957367E-25, 0.000000E+00 /\n DATA ( CS_REF( IACETONE, 3, IWLR ), IWLR = 1, 7 ) /\n & 3.460821E-20, 2.278628E-20, 1.362906E-20, 7.428147E-21, \n & 9.464437E-22, 9.957367E-25, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IACETONE, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.454557E-01, 2.098742E-01, 8.525195E-02, 3.909341E-02, \n & 9.695551E-03, 1.622317E-04, 0.000000E+00 /\n DATA ( QY_REF( IACETONE, 2, IWLR ), IWLR = 1, 7 ) /\n & 3.454557E-01, 2.098742E-01, 8.525195E-02, 3.909341E-02, \n & 9.695551E-03, 1.622317E-04, 0.000000E+00 /\n DATA ( QY_REF( IACETONE, 3, IWLR ), IWLR = 1, 7 ) /\n & 3.454557E-01, 2.098742E-01, 8.525195E-02, 3.909341E-02, \n & 9.695551E-03, 1.622317E-04, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IACETONE, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.205182E-20, 4.966170E-21, 1.192478E-21, 3.105726E-22, \n & 1.545213E-23, 2.812016E-27, 0.000000E+00 /\n DATA ( ECS_REF( IACETONE, 2, IWLR ), IWLR = 1, 7 ) /\n & 1.205182E-20, 4.966170E-21, 1.192478E-21, 3.105726E-22, \n & 1.545213E-23, 2.812016E-27, 0.000000E+00 /\n DATA ( ECS_REF( IACETONE, 3, IWLR ), IWLR = 1, 7 ) /\n & 1.205182E-20, 4.966170E-21, 1.192478E-21, 3.105726E-22, \n & 1.545213E-23, 2.812016E-27, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IACETONE, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.482358E-01, 2.179456E-01, 8.749527E-02, 4.181024E-02, \n & 1.632652E-02, 2.824056E-03, 0.000000E+00 /\n DATA ( EQY_REF( IACETONE, 2, IWLR ), IWLR = 1, 7 ) /\n & 3.482358E-01, 2.179456E-01, 8.749527E-02, 4.181024E-02, \n & 1.632652E-02, 2.824056E-03, 0.000000E+00 /\n DATA ( EQY_REF( IACETONE, 3, IWLR ), IWLR = 1, 7 ) /\n & 3.482358E-01, 2.179456E-01, 8.749527E-02, 4.181024E-02, \n & 1.632652E-02, 2.824056E-03, 0.000000E+00 /\n\n\n END MODULE CSQY_DATA\n" }, { "path": "UTIL/inline_phot_preproc/src/CSQY_PARAMETERS.F", "content": " MODULE CSQY_PARAMETERS\n\n#ifndef mech_includes\n USE RXNS_DATA\n#endif\t \n\n IMPLICIT NONE\n\n\n#ifdef mech_includes\n INCLUDE SUBST_RXCMMN ! to get mech name\n INCLUDE SUBST_RXDATA ! to get photolysis rate names\n#endif\t \n\n! MXWL = maximum number of wavelength bands to process\n! MXWLIN = maximum number of wavelength bands on input files\n! NJPROC = maximum number of vertical levels in radiative transfer\n! calculation\n! MXLEV = maximum number of vertical levels in base atmospheric \n! structure\n\n INTEGER, PARAMETER :: MXWL = 601\n INTEGER, PARAMETER :: MXWLIN = 2000\n INTEGER, PARAMETER :: NJPROC = 200\n INTEGER, PARAMETER :: MXLEV = 51\n\n! max number of altitude levels used in temp and pressure routine for cross-sections and\n! quantum yield\n INTEGER, PARAMETER :: KZ = 125\n! max number of wavelength used in temp and pressure routine for cross-sections and\n! quantum yield\n INTEGER, PARAMETER :: KW = MXWL ! N_INLINE_BAND ! MXWL\n! time/sza\n INTEGER, PARAMETER :: KT = MXLEV\t\n\n REAL, PARAMETER :: T298K = 298.0 ! standard air temperature\n REAL, PARAMETER :: DENS0 = 2.46E+19 ! approximate air number density at 1 Atm and 298K, molec/cm3 \n ! should be 2.465E+19 but the original version of CSQY pre-processor\n ! used 2.59E+19, a 3% difference\n\n\n REAL :: Z_JPROC( MXLEV ) ! altitudes for JPROC level, km\n REAL :: O3_JPROC( MXLEV ) ! JPROC ozone profile\n REAL :: T_JPROC( MXLEV ) ! JPROC temperature profile\n REAL :: DENS_JPROC( MXLEV ) ! JPROC number density profile, cm^-3\n\n LOGICAL, PARAMETER :: USE_JPROC = .TRUE.\n\n! all rate listed in CB05, SAPRC99, SAPRC07T, plus seven additional rates \n! that copy SAPRC07T and SAPRC99 rates. Why? Rates hardwired in PHOT_MOD.F\n! multiple occurrances will be eliminated in CREATE_MODULE subroutine\n\n INTEGER, PARAMETER :: NPHOTAB_ALL = 94\n CHARACTER( 16 ) :: PHOTAB_ALL( NPHOTAB_ALL )\n CHARACTER( 32 ) :: MECHNAME_ALL = 'ALL_MECHANISM'\n\n INTEGER :: IRXXN_ALL\n\n DATA ( PHOTAB_ALL( IRXXN_ALL ), IRXXN_ALL = 1, NPHOTAB_ALL ) /\n & 'NO2-06 ', 'NO3NO-06 ', 'NO3NO2-6 ',\n & 'O3O1D-06 ', 'O3O3P-06 ', 'HONO-06 ',\n & 'HNO3 ', 'HNO4-06 ', 'H2O2 ',\n & 'NO2EX ', 'PAN ', 'HCHOR-06 ',\n & 'HCHOM-06 ', 'CCHO_R ', 'C2CHO ',\n & 'ACET-06 ', 'MEK-06 ', 'COOH ',\n & 'GLY-07R ', 'GLY-07M ', 'MGLY-06 ',\n & 'BACL-07 ', 'BALD-06 ', 'AFG1 ',\n & 'MACR-06 ', 'MVK-06 ', 'IC3ONO2 ',\n & 'HOCCHO_IUPAC ', 'ACRO-09 ', 'PAA ',\n & 'CL2 ', 'CLNO-06 ', 'CLONO ',\n & 'CLNO2 ', 'CLONO2-1 ', 'CLONO2-2 ',\n & 'HOCL-06 ', 'CLCCHO ', 'CLACET ',\n & 'NO2_SAPRC99 ', 'NO3NO_SAPRC99 ', 'NO3NO2_SAPRC99 ',\n & 'O3O3P_SAPRC99 ', 'O3O1D_SAPRC99 ', 'HONO_NO_SAPRC99 ',\n & 'HONO_NO2_SAPRC99', 'HNO3_SAPRC99 ', 'HO2NO2_SAPRC99 ',\n & 'H2O2_SAPRC99 ', 'HCHO_R_SAPRC99 ', 'HCHO_M_SAPRC99 ',\n & 'CCHO_R_SAPRC99 ', 'C2CHO_SAPRC99 ', 'ACETONE_SAPRC99 ',\n & 'KETONE_SAPRC99 ', 'COOH_SAPRC99 ', 'GLY_R_SAPRC99 ',\n & 'GLY_ABS_SAPRC99 ', 'MGLY_ADJ_SAPRC99', 'BACL_ADJ_SAPRC99',\n & 'BZCHO_SAPRC99 ', 'ACROLEIN_SAPRC99', 'IC3ONO2_SAPRC99 ',\n & 'MGLY_ABS_SAPRC99',\n & 'NO2_SAPRC99 ', 'O3_O3P_IUPAC04 ', 'O3_O1D_IUPAC04 ',\n & 'NO3NO2_SAPRC99 ', 'NO3NO_SAPRC99 ', 'HONO_IUPAC04 ',\n & 'H2O2_SAPRC99 ', 'HO2NO2_IUPAC04 ', 'HNO3_IUPAC04 ',\n & 'N2O5_IUPAC04 ', 'NTR_IUPAC04 ', 'COOH_SAPRC99 ',\n & 'HCHO_R_SAPRC99 ', 'HCHO_M_SAPRC99 ', 'CCHO_R_SAPRC99 ',\n & 'PAN_IUPAC04 ', 'PACD_CB05 ', 'C2CHO_SAPRC99 ',\n & 'MGLY_IUPAC04 ', 'ACROLEIN_SAPRC99', 'CL2_IUPAC04 ',\n & 'HOCL_IUPAC04 ', 'FMCL_IUPAC04 ', 'NO2 ',\n & 'O3O1D ', 'O3O3P ', 'KETONE ',\n & 'MGLY_ABS ', 'MGLY_ADJ ', 'ACETONE ' /\n\n LOGICAL, PARAMETER :: USE_TUV_JVALUE = .TRUE.\n LOGICAL, SAVE :: SPLIT_OUTPUTS \n \n INTEGER, SAVE :: N_USE_PHOTAB \n CHARACTER( 16 ), ALLOCATABLE, SAVE :: USE_PHOTAB( : )\n\n! DATA ( USE_PHOTAB( IRXXN ), IRXXN = 1, N_USE_PHOTAB ) /\n! & 'BALD-06 ', 'AFG1 ', 'IC3ONO2 ',\n! & 'CLNO-06 ', 'CLONO ', 'CLNO2 ', \n! & 'HOCL-06 ', 'CLCCHO ', 'CLACET '/\n\n LOGICAL, ALLOCATABLE, SAVE :: USE_JPROC_CSQY ( : )\n INTEGER, ALLOCATABLE, SAVE :: TUV_TO_JPROC( : )\n\n INTEGER, PARAMETER :: N_TEMP_STRAT = 6\n INTEGER, PARAMETER :: N_TEMPERATURE = 6\n\n INTEGER, SAVE :: MODULE_UNIT = 75\n INTEGER, SAVE :: JTABLE_UNIT = 105\n INTEGER, SAVE :: ODATA_UNIT = 106\n\n CHARACTER(586) :: OUT_DIR = 'OUT_DIR'\n CHARACTER(16), SAVE :: PHOT_DONE( NPHOTAB )\n INTEGER, SAVE :: NPHOT_DONE\n LOGICAL, SAVE :: PHOT_PROCESS( NPHOTAB )\n REAL, ALLOCATABLE, SAVE :: WV_FASTJ( : ), XO3_FASTJ( : )\n\n INTEGER, SAVE :: CSQY_UNIT = 76\n\n CONTAINS\n SUBROUTINE INIT_CSQY_MODULE()\n\n USE GET_ENV_VARS\n USE BIN_DATA\n\n IMPLICIT NONE \n\n LOGICAL, SAVE :: FIRSTCALL = .TRUE.\n INTEGER :: I, J, K, ITTR\n CHARACTER(16) :: SAFE_NAME( NPHOTAB )\n CHARACTER(16) :: PHOT_NAME( NPHOTAB )\n CHARACTER(600) :: JTABLE_NAME\n CHARACTER( 32) :: WORD\n CHARACTER(255) :: EQNAME\n\n IF( FIRSTCALL )THEN\n CALL INIT_BIN_DATA\n FIRSTCALL = .FALSE.\n ELSE \n RETURN\n ENDIF\n \n! get output directory\n EQNAME = 'OUT_DIR'\n CALL VALUE_NAME( EQNAME, OUT_DIR ) \n! create name of CSQY_DATA file\n WORD = MECHNAME\n CALL CONVERT_CASE ( WORD, .FALSE. )\n JTABLE_NAME = TRIM( OUT_DIR ) \n & // '/' \n & // 'CSQY_DATA_' // TRIM( WORD )\n\n\n OPEN(JTABLE_UNIT, FILE = JTABLE_NAME, STATUS = 'UNKNOWN')\n\n PHOT_DONE = ' '\n SAFE_NAME = ' '\n NPHOT_DONE = 0\n PHOT_PROCESS = .TRUE.\n ITTR = 0\n \n DO J = 1, NPHOTAB\n DO I = 1, NPHOT_DONE\n IF( PHOTAB(J) .EQ. PHOT_DONE(I) )THEN\n PHOT_PROCESS( J ) = .FALSE.\n EXIT\n ENDIF\n ENDDO\n IF( PHOT_PROCESS( J ) )THEN\n NPHOT_DONE = NPHOT_DONE + 1\n PHOT_DONE(NPHOT_DONE) = PHOTAB(J)\n SAFE_NAME(NPHOT_DONE) = PHOT_DONE(NPHOT_DONE)\n DO I = 1, LEN(SAFE_NAME(NPHOT_DONE))\n IF( SAFE_NAME(NPHOT_DONE)(I:I) .EQ. '-' ) THEN\n SAFE_NAME(NPHOT_DONE)(I:I) = '_'\n ENDIF\n ENDDO\n \n ELSE\n ITTR = ITTR + 1\n WRITE(6,'(I3,1X,A,1X,A,I3,1X,A)')ITTR, TRIM(PHOTAB(J)),\n & ' already treated by ', I, TRIM(PHOT_DONE(I))\n ENDIF\n ENDDO\n\n1996 format(6X,'INTEGER, PARAMETER :: NPHOT_REF = ',I3,' ! # ref phot reactions ')\n1997 format(6X,'INTEGER, PARAMETER :: NTEMP_REF = ',I3,' ! # ref temperatures ')\n1998 format(6X,'INTEGER, PARAMETER :: NWL_REF = ',I3,' ! # ref wavelengths ')\n\n WRITE(JTABLE_UNIT,'(A22,A32)')'Table for Mechanism = ',MECHNAME\n WRITE(JTABLE_UNIT,'(A9,1X,I4)')'NPHOTAB =',NPHOT_DONE\n WRITE(JTABLE_UNIT,'(A)')'!Individual rates listed below:' \n\n \n DO I = 1, NPHOT_DONE\n\n WRITE(JTABLE_UNIT,'(A16)')PHOT_DONE(I)\n1999 FORMAT(6X,'INTEGER, PARAMETER :: I',A16, ' = ', I3, ' ! pointer to ', A16)\n\n ENDDO\n\n2040 format(6X,'CHARACTER(16), SAVE :: PNAME_REF( NPHOT_REF )')\n\n DO I = 1, NPHOT_DONE\n\n2000 FORMAT(6X,'DATA PNAME_REF( I',A16, ' ) / ''', A16, ''' /')\n\n ENDDO\n\n2027 format(6X,'INTEGER, PARAMETER :: NPHOT_MAP = ',I3,' ! # phot mapped reactions ')\n2025 format(6X,'CHARACTER(16), SAVE :: PNAME_MAP( NPHOT_MAP )')\n2026 format(6X,'INTEGER, SAVE :: PHOT_MAP( NPHOT_MAP )')\n\n DO I = 1, NPHOT_DONE\n\n2010 FORMAT(6X,'DATA PNAME_MAP( ', I3, ' ), ', ' PHOT_MAP( ', I3, ' ) / ''',\n & A16, ''', I', A16, ' / ')\n\n ENDDO\n\n2021 format(6X,'REAL, SAVE :: TEMP_REF( NTEMP_REF, NPHOT_REF ) ! reference temperatures')\n\n2022 format(6X,'REAL, SAVE :: CS_REF( NPHOT_REF, NTEMP_REF, NWL_REF ) ! effective cross sections')\n\n2023 format(6X,'REAL, SAVE :: QY_REF( NPHOT_REF, NTEMP_REF, NWL_REF ) ! effective quantum yields')\n\n2024 format(6X,'REAL, SAVE :: ECS_REF( NPHOT_REF, NTEMP_REF, NWL_REF ) ! CS*QY averaged UCI Solar Flux')\n\n2031 format(6X,'REAL, SAVE :: EQY_REF( NPHOT_REF, NTEMP_REF, NWL_REF ) ! eCS/CS averaged 77 bins in UCI Model')\n\n2032 format('C... quantum yields')\n2033 format('C... effective quantum yields were computed by performing separate')\n2034 format('C... interval integrations for the cross sections and for the') \n2035 format('C... effective cross sections (cs*qy) (calculated on the finer')\n2036 format('C... wavelength grid. The effective quantum yield values')\n2037 format('C... were then calculated for the 7 wavelength intervals by ')\n2038 format('C... dividing the effective cross sections by the interval average')\n2039 format('C... cross sections (eQY=eCS/CS).')\n\n PHOT_DONE = ' '\n NPHOT_DONE = 0\n\n\n2003 format(1x)\n\n RETURN\n END SUBROUTINE INIT_CSQY_MODULE\n SUBROUTINE INIT_CXQY_MODULE()\n\n USE GET_ENV_VARS\n USE BIN_DATA\n\n IMPLICIT NONE \n\n LOGICAL, SAVE :: FIRSTCALL = .TRUE.\n INTEGER :: I, J, K, ITTR\n CHARACTER(16) :: SAFE_NAME( NPHOTAB )\n CHARACTER(16) :: PHOT_NAME( NPHOTAB )\n CHARACTER(600) :: JTABLE_NAME\n CHARACTER(32) :: WORD\n CHARACTER(255) :: EQNAME\n INTERFACE\n SUBROUTINE CONVERT_CASE ( BUFFER, UPPER )\n CHARACTER(LEN= *), INTENT( INOUT ) :: BUFFER\n LOGICAL, INTENT( IN ) :: UPPER\n END SUBROUTINE CONVERT_CASE\n END INTERFACE\n\n IF( FIRSTCALL )THEN\n CALL INIT_BIN_DATA\n FIRSTCALL = .FALSE.\n ELSE \n RETURN\n ENDIF\n\n! get output directory\n EQNAME = 'OUT_DIR'\n CALL VALUE_NAME( EQNAME, OUT_DIR ) \n! create name of CSQY_DATA file\n WORD = MECHNAME\n CALL CONVERT_CASE ( WORD, .FALSE. )\n JTABLE_NAME = TRIM( OUT_DIR ) \n & // '/' \n & // 'CSQY_DATA_' // TRIM( WORD )\n\n OPEN(JTABLE_UNIT, FILE = JTABLE_NAME, STATUS = 'UNKNOWN')\n\n PHOT_DONE = ' '\n SAFE_NAME = ' '\n NPHOT_DONE = 0\n PHOT_PROCESS = .TRUE.\n ITTR = 0\n\n DO J = 1, NPHOTAB\n DO I = 1, NPHOT_DONE\n IF( PHOTAB(J) .EQ. PHOT_DONE(I) )THEN\n PHOT_PROCESS( J ) = .FALSE.\n EXIT\n ENDIF\n ENDDO\n IF( PHOT_PROCESS( J ) )THEN\n NPHOT_DONE = NPHOT_DONE + 1\n PHOT_DONE(NPHOT_DONE) = PHOTAB(J)\n SAFE_NAME(NPHOT_DONE) = PHOT_DONE(NPHOT_DONE)\n DO I = 1, LEN(SAFE_NAME(NPHOT_DONE))\n IF( SAFE_NAME(NPHOT_DONE)(I:I) .EQ. '-' ) THEN\n SAFE_NAME(NPHOT_DONE)(I:I) = '_'\n ENDIF\n ENDDO\n ELSE\n ITTR = ITTR + 1\n WRITE(6,'(I3,1X,A,1X,A,I3,1X,A)')ITTR, TRIM(PHOTAB(J)),\n & ' already treated by ', I, TRIM(PHOT_DONE(I))\n ENDIF\n ENDDO\n\n WRITE(JTABLE_UNIT,'(A22,A32)')'Table for Mechanism = ',MECHNAME\n WRITE(JTABLE_UNIT,'(A9,1X,I4)')'NPHOTAB =',NPHOT_DONE\n WRITE(JTABLE_UNIT,'(A)')'!Individual rates listed below:' \n \n\n DO I = 1, NPHOT_DONE\n WRITE(JTABLE_UNIT,'(A16)')PHOT_DONE(I)\n ENDDO\n\n PHOT_DONE = ' '\n NPHOT_DONE = 0\n\n1996 FORMAT(6X,'INTEGER, PARAMETER :: NPHOT_REF = ',I3,' ! # ref phot reactions ')\n1997 FORMAT(6X,'INTEGER, PARAMETER :: NTEMP_REF = ',I3,' ! # ref temperatures ')\n1998 FORMAT(6X,'INTEGER, PARAMETER :: NWL_REF = ',I3,' ! # ref wavelengths ')\n1999 FORMAT(6X,'INTEGER, PARAMETER :: I',A16, ' = ', I3, ' ! pointer to ', A16)\n2040 FORMAT(6X,'CHARACTER(16), SAVE :: PNAME_REF( NPHOT_REF )')\n2000 FORMAT(6X,'DATA PNAME_REF( I',A16, ' ) / ''', A16, ''' /')\n2027 FORMAT(6X,'INTEGER, PARAMETER :: NPHOT_MAP = ',I3,' ! # phot mapped reactions ')\n2025 FORMAT(6X,'CHARACTER(16), SAVE :: PNAME_MAP( NPHOT_MAP )')\n2026 FORMAT(6X,'INTEGER, SAVE :: PHOT_MAP( NPHOT_MAP )')\n2010 FORMAT(6X,'DATA PNAME_MAP( ', I3, ' ), ', ' PHOT_MAP( ', I3, ' ) / ''',\n & A16, ''', I', A16, ' / ')\n2021 FORMAT(6X,'REAL, SAVE :: TEMP_REF( NTEMP_REF, NPHOT_REF ) ! reference temperatures')\n2022 FORMAT(6X,'REAL, SAVE :: CS_REF( NPHOT_REF, NTEMP_REF, NWL_REF ) ! effective cross sections')\n2023 FORMAT(6X,'REAL, SAVE :: QY_REF( NPHOT_REF, NTEMP_REF, NWL_REF ) ! effective quantum yields')\n2024 FORMAT(6X,'REAL, SAVE :: ECS_REF( NPHOT_REF, NTEMP_REF, NWL_REF ) ! CS*QY averaged UCI Solar Flux')\n2031 FORMAT(6X,'REAL, SAVE :: EQY_REF( NPHOT_REF, NTEMP_REF, NWL_REF ) ! eCS/CS averaged 77 bins in UCI Model')\n2032 FORMAT('C... quantum yields')\n2033 FORMAT('C... effective quantum yields were computed by performing separate')\n2034 FORMAT('C... interval integrations for the cross sections and for the') \n2035 FORMAT('C... effective cross sections (cs*qy) (calculated on the finer')\n2036 FORMAT('C... wavelength grid. The effective quantum yield values')\n2037 FORMAT('C... were then calculated for the 7 wavelength intervals by ')\n2038 FORMAT('C... dividing the effective cross sections by the interval average')\n2039 FORMAT('C... cross sections (eQY=eCS/CS).')\n2003 FORMAT(1x)\n\n RETURN\n END SUBROUTINE INIT_CXQY_MODULE\n \n\tEND MODULE CSQY_PARAMETERS\n" }, { "path": "UTIL/inline_phot_preproc/src/CSQY_REFER_DATA.F", "content": " MODULE CSQY_REFER_DATA\n\n USE CSQY_PARAMETERS\n\n IMPLICIT NONE\n\n\n! NASA JPL (2006)\n!Absorption_Cross_Sections_of_NO2_at_220_and_294 K \n!Lambda_C(nm), XC_220KxE20(cm2), XC_294K(cm2),DXC/DT(cm2/K) \n\n INTEGER, PARAMETER :: N_NO2_XC = 89\n\n REAL :: WV_NO2_XC( N_NO2_XC )\n DATA WV_NO2_XC /\n O 2.4243E+02, 2.4541E+02, 2.4846E+02, 2.5158E+02, 2.5479E+02,\n + 2.5808E+02, 2.6145E+02, 2.6491E+02, 2.6847E+02, 2.7212E+02,\n 1 2.7588E+02, 2.7973E+02, 2.8370E+02, 2.8778E+02, 2.9199E+02,\n + 2.9631E+02, 3.0077E+02, 3.0536E+02, 3.1010E+02, 3.1500E+02,\n 2 3.2000E+02, 3.2500E+02, 3.3000E+02, 3.3500E+02, 3.4000E+02,\n + 3.4500E+02, 3.5000E+02, 3.5500E+02, 3.6000E+02, 3.6500E+02,\n 3 3.7000E+02, 3.7500E+02, 3.8000E+02, 3.8500E+02, 3.9000E+02,\n + 3.9500E+02, 4.0000E+02, 4.0500E+02, 4.1000E+02, 4.1500E+02,\n 4 4.2000E+02, 4.2500E+02, 4.3000E+02, 4.3500E+02, 4.4000E+02,\n + 4.4500E+02, 4.5000E+02, 4.5500E+02, 4.6000E+02, 4.6500E+02,\n 5 4.7000E+02, 4.7500E+02, 4.8000E+02, 4.8500E+02, 4.9000E+02,\n + 4.9500E+02, 5.0000E+02, 5.0500E+02, 5.1000E+02, 5.1500E+02,\n 6 5.2000E+02, 5.2500E+02, 5.3000E+02, 5.3500E+02, 5.4000E+02,\n + 5.4500E+02, 5.5000E+02, 5.5500E+02, 5.6000E+02, 5.6500E+02,\n 7 5.7000E+02, 5.7500E+02, 5.8000E+02, 5.8500E+02, 5.9000E+02,\n + 5.9500E+02, 6.0000E+02, 6.0500E+02, 6.1000E+02, 6.1500E+02,\n 8 6.2000E+02, 6.2500E+02, 6.3000E+02, 6.3500E+02, 6.4000E+02,\n + 6.4500E+02, 6.5000E+02, 6.5500E+02, 6.6000E+02/\n\n REAL :: NO2_XC_220K( N_NO2_XC )\n DATA NO2_XC_220K /\n O 5.7700E-20, 2.7900E-20, 1.6200E-20, 9.9800E-21, 1.0500E-20,\n + 1.2800E-20, 1.5800E-20, 2.0500E-20, 2.6400E-20, 3.2400E-20,\n 1 4.0700E-20, 5.2100E-20, 6.2300E-20, 7.5900E-20, 9.5100E-20,\n + 1.1500E-19, 1.3200E-19, 1.6100E-19, 1.8800E-19, 2.1600E-19,\n 2 2.5300E-19, 2.8700E-19, 3.1700E-19, 3.5800E-19, 4.0200E-19,\n + 4.1800E-19, 4.6200E-19, 4.9700E-19, 5.0900E-19, 5.4900E-19,\n 3 5.6100E-19, 5.9000E-19, 5.9300E-19, 6.0100E-19, 6.3000E-19,\n + 5.9700E-19, 6.4400E-19, 5.8200E-19, 6.2400E-19, 5.9100E-19,\n 4 5.9900E-19, 5.7000E-19, 5.4400E-19, 5.5900E-19, 4.8800E-19,\n + 4.8800E-19, 4.9800E-19, 4.1600E-19, 4.3600E-19, 4.1400E-19,\n 5 3.3700E-19, 3.8700E-19, 3.3700E-19, 2.5400E-19, 3.0800E-19,\n + 2.9400E-19, 1.8200E-19, 2.4300E-19, 2.3100E-19, 1.6000E-19,\n 6 1.6100E-19, 1.7900E-19, 1.5300E-19, 1.0600E-19, 1.0800E-19,\n + 1.2700E-19, 1.1000E-19, 7.9700E-20, 6.0500E-20, 8.7000E-20,\n 7 8.4800E-20, 4.7100E-20, 4.4700E-20, 4.6900E-20, 5.3900E-20,\n + 4.0800E-20, 3.9500E-20, 1.8500E-20, 2.5400E-20, 3.5300E-20,\n 8 2.5700E-20, 1.9600E-20, 1.2100E-20, 1.3300E-20, 1.5300E-20,\n + 1.9200E-20, 1.3500E-20, 8.7300E-21, 5.6600E-21/\n\n REAL :: NO2_XC_294K( N_NO2_XC )\n DATA NO2_XC_294K /\n O 4.1400E-20, 9.6100E-21, 8.5900E-21, 1.9100E-21, 4.9600E-21,\n + 8.7200E-21, 1.2600E-20, 1.7700E-20, 2.3600E-20, 3.0300E-20,\n 1 3.9400E-20, 5.1600E-20, 6.2900E-20, 7.7200E-20, 9.6400E-20,\n + 1.1600E-19, 1.3200E-19, 1.6000E-19, 1.8500E-19, 2.0800E-19,\n 2 2.4200E-19, 2.7200E-19, 2.9400E-19, 3.3000E-19, 3.7000E-19,\n + 3.8600E-19, 4.3500E-19, 4.7700E-19, 4.9200E-19, 5.3700E-19,\n 3 5.5200E-19, 5.8400E-19, 5.8500E-19, 5.9200E-19, 6.2400E-19,\n + 5.8500E-19, 6.4000E-19, 5.7000E-19, 6.1800E-19, 5.8300E-19,\n 4 5.9300E-19, 5.6000E-19, 5.3700E-19, 5.5500E-19, 4.7500E-19,\n + 4.7900E-19, 4.9300E-19, 4.0600E-19, 4.3500E-19, 4.1500E-19,\n 5 3.2700E-19, 3.8800E-19, 3.3400E-19, 2.4000E-19, 3.0900E-19,\n + 2.9400E-19, 1.6700E-19, 2.4400E-19, 2.2800E-19, 1.4800E-19,\n 6 1.7700E-19, 1.7500E-19, 1.4900E-19, 9.7100E-20, 1.0300E-19,\n + 1.2600E-19, 1.0400E-19, 7.4000E-20, 5.5600E-20, 8.6200E-20,\n 7 8.2500E-20, 4.1200E-20, 4.1100E-20, 4.6000E-20, 5.1400E-20,\n + 3.8200E-20, 3.7100E-20, 1.5600E-20, 2.3800E-20, 3.4700E-20,\n 8 2.3900E-20, 1.7700E-20, 1.0000E-20, 1.2300E-20, 1.4800E-20,\n + 1.8600E-20, 1.2400E-20, 7.5500E-21, 5.0800E-21/\n\n! NASA JPL (2006)\n!Quantum_Yields_for_NO2_Photolysis \n!LAMBDA(nm), QY298K, QY248K \n\n INTEGER, PARAMETER :: N_NO2_QY = 25\n\n REAL :: WV_NO2_QY( N_NO2_QY )\n DATA WV_NO2_QY /\n & 3.0000E+02, 3.9800E+02, 3.9900E+02, 4.0000E+02, 4.0100E+02,\n & 4.0200E+02, 4.0300E+02, 4.0400E+02, 4.0500E+02, 4.0600E+02,\n & 4.0700E+02, 4.0800E+02, 4.0900E+02, 4.1000E+02, 4.1100E+02,\n & 4.1200E+02, 4.1300E+02, 4.1400E+02, 4.1500E+02, 4.1600E+02,\n & 4.1700E+02, 4.1800E+02, 4.1900E+02, 4.2000E+02, 4.2200E+02/\n\n REAL :: NO2_QY_248K( N_NO2_QY )\n DATA NO2_QY_248K /\n & 1.0000E+00, 1.0000E+00, 9.4000E-01, 8.6000E-01, 6.9000E-01,\n & 5.6000E-01, 4.4000E-01, 3.4000E-01, 2.8000E-01, 2.2000E-01,\n & 1.8000E-01, 1.4000E-01, 1.2000E-01, 1.0000E-01, 8.0000E-02,\n & 7.0000E-02, 6.0000E-02, 4.0000E-02, 3.0000E-02, 2.0000E-02,\n & 2.0000E-02, 2.0000E-02, 1.0000E-02, 1.0000E-02, 1.0000E-02/\n\n REAL :: NO2_QY_298K( N_NO2_QY )\n DATA NO2_QY_298K /\n & 1.0000E+00, 1.0000E+00, 9.5000E-01, 8.8000E-01, 7.5000E-01,\n & 6.2000E-01, 5.3000E-01, 4.4000E-01, 3.7000E-01, 3.0000E-01,\n & 2.6000E-01, 2.2000E-01, 1.8000E-01, 1.5000E-01, 1.3000E-01,\n & 1.1000E-01, 9.0000E-02, 8.0000E-02, 6.0000E-02, 5.0000E-02,\n & 4.0000E-02, 3.0000E-02, 2.0000E-02, 2.0000E-02, 1.0000E-02/\n\n!HO2NO2 absorption cross section parametrization \n!HO2NO2-->HO2+NO2 \n!Knight et. al, Phys. Chem. Chem. Phys.,2002,4, 1432-1437. \n! XC = XC1/Q + XC2(1-1/Q), Q = 1.0+EXP(-988/(0.69*Temp)) \n\n INTEGER, PARAMETER :: N_HO2NO2 = 55\n\n REAL :: WV_HO2NO2( N_HO2NO2 )\n DATA WV_HO2NO2 /\n O 1.9000E+02, 1.9500E+02, 2.0000E+02, 2.0500E+02, 2.1000E+02,\n + 2.1500E+02, 2.2000E+02, 2.2500E+02, 2.3000E+02, 2.3500E+02,\n 1 2.4000E+02, 2.4500E+02, 2.5000E+02, 2.5500E+02, 2.6000E+02,\n + 2.6500E+02, 2.7000E+02, 2.7500E+02, 2.8000E+02, 2.8000E+02,\n 2 2.8200E+02, 2.8400E+02, 2.8600E+02, 2.8800E+02, 2.9000E+02,\n + 2.9200E+02, 2.9400E+02, 2.9600E+02, 2.9800E+02, 3.0000E+02,\n 3 3.0200E+02, 3.0400E+02, 3.0600E+02, 3.0800E+02, 3.1000E+02,\n + 3.1200E+02, 3.1400E+02, 3.1600E+02, 3.1800E+02, 3.2000E+02,\n 4 3.2200E+02, 3.2400E+02, 3.2600E+02, 3.2800E+02, 3.3000E+02,\n + 3.3200E+02, 3.3400E+02, 3.3600E+02, 3.3800E+02, 3.4000E+02,\n 5 3.4200E+02, 3.4400E+02, 3.4600E+02, 3.4800E+02, 3.5000E+02/\n\n REAL :: HO2NO2_XC_296K( N_HO2NO2 )\n DATA HO2NO2_XC_296K /\n O 1.0100E-17, 8.1600E-18, 5.6300E-18, 3.6700E-18, 2.4100E-18,\n + 1.6400E-18, 1.2000E-18, 9.5200E-19, 8.0800E-19, 6.9800E-19,\n 1 5.9100E-19, 4.9700E-19, 4.1800E-19, 3.5100E-19, 2.7800E-19,\n + 2.2400E-19, 1.7800E-19, 1.3400E-19, 9.3000E-20, 9.2900E-20,\n 2 8.1100E-20, 6.9300E-20, 5.8600E-20, 4.9100E-20, 3.9500E-20,\n + 3.3700E-20, 2.7800E-20, 2.3000E-20, 1.9100E-20, 1.5200E-20,\n 3 1.2800E-20, 1.0500E-20, 8.5300E-21, 7.0200E-21, 5.5100E-21,\n + 4.6500E-21, 3.8000E-21, 3.1300E-21, 2.6500E-21, 2.1600E-21,\n 4 1.8400E-21, 1.5200E-21, 1.2800E-21, 1.1000E-21, 9.2600E-22,\n + 7.8800E-22, 6.5000E-22, 5.4000E-22, 4.5600E-22, 3.7200E-22,\n 5 3.2000E-22, 2.6800E-22, 2.2800E-22, 1.9800E-22, 1.6800E-22/\n\n REAL :: HO2NO2_A1_296K( N_HO2NO2 )\n DATA HO2NO2_A1_296K /\n O 0.0000E+00, 0.0000E+00, 0.0000E+00, 0.0000E+00, 0.0000E+00,\n + 0.0000E+00, 0.0000E+00, 0.0000E+00, 0.0000E+00, 0.0000E+00,\n 1 0.0000E+00, 0.0000E+00, 0.0000E+00, 0.0000E+00, 0.0000E+00,\n + 0.0000E+00, 0.0000E+00, 0.0000E+00, 0.0000E+00, 8.7300E-20,\n 2 7.5672E-20, 6.4044E-20, 5.3508E-20, 4.4064E-20, 3.4620E-20,\n + 2.9060E-20, 2.3500E-20, 1.8924E-20, 1.5332E-20, 1.1740E-20,\n 3 9.6880E-21, 7.6360E-21, 6.0020E-21, 4.7860E-21, 3.5700E-21,\n + 2.9460E-21, 2.3220E-21, 1.8320E-21, 1.4760E-21, 1.1200E-21,\n 4 9.5760E-22, 7.9520E-22, 6.4300E-22, 5.0100E-22, 3.5900E-22,\n + 2.8460E-22, 2.1020E-22, 1.5140E-22, 1.0820E-22, 6.5000E-23,\n 5 5.4200E-23, 4.3400E-23, 3.3000E-23, 2.3000E-23, 1.3000E-23/\n\n REAL :: HO2NO2_A2_296K( N_HO2NO2 )\n DATA HO2NO2_A2_296K /\n O 0.0000E+00, 0.0000E+00, 0.0000E+00, 0.0000E+00, 0.0000E+00,\n + 0.0000E+00, 0.0000E+00, 0.0000E+00, 0.0000E+00, 0.0000E+00,\n 1 0.0000E+00, 0.0000E+00, 0.0000E+00, 0.0000E+00, 0.0000E+00,\n + 0.0000E+00, 0.0000E+00, 0.0000E+00, 0.0000E+00, 8.0316E-19,\n 2 7.6938E-19, 7.3561E-19, 7.0618E-19, 6.8109E-19, 6.5600E-19,\n + 6.1596E-19, 5.7593E-19, 5.3564E-19, 4.9510E-19, 4.5456E-19,\n 3 4.1130E-19, 3.6804E-19, 3.2713E-19, 2.8856E-19, 2.5000E-19,\n + 2.2002E-19, 1.9004E-19, 1.6680E-19, 1.5030E-19, 1.3380E-19,\n 4 1.1357E-19, 9.3335E-20, 8.1065E-20, 7.6756E-20, 7.2447E-20,\n + 6.4314E-20, 5.6181E-20, 4.9509E-20, 4.4300E-20, 3.9090E-20,\n 5 3.3866E-20, 2.8642E-20, 2.4781E-20, 2.2283E-20, 1.9785E-20/\n\n!CH3CHO -> CH3 + CHO for quantum yields\n!from Horowitz and Calvert (1982) \n\n INTEGER, PARAMETER :: N_CCHO_QUENCH = 78\n REAL :: WV_CCHO_QUENCH( N_CCHO_QUENCH)\n REAL :: CCHO_PHI0 ( N_CCHO_QUENCH)\n REAL :: CCHO_QUENCH( N_CCHO_QUENCH)\n\n! DATA WV_CCHO_QUENCH /\n! & 2.9000E+02, 3.0000E+02, 3.1300E+02, 3.2000E+02, 3.3120E+02/\n\n! DATA CCHO_QUENCH /\n! & 5.9000E-01, 1.5100E+00, 5.8300E+00, 8.4800E+00, 2.8800E+00/\n\n!PAN absorption cross section from Talukdar et al. \n!Reference: Talukdar et al., 1995, J.Geophys.Res. 100/D7, 14163-14174 \n!Peroxyacetylnitrate CH3CO2NO2 \n!Units: Wavelength (nm) \n! Absorption Cross Section (Cm**2/Molec) \n!Scale Factor: To Dm**3/Mol/Cm Divide By \n! 3.82e-21 \n!Temperature: 25 Degrees C \n!Absorption Cross Section Data \n!Wavelength (nm) Absorption Cross Section (Cm**2/Molec) \n\n INTEGER, PARAMETER :: N_PAN = 78\n\n REAL :: WV_PAN( N_PAN )\n DATA WV_PAN /\n O 1.9600E+02, 1.9800E+02, 2.0000E+02, 2.0200E+02, 2.0400E+02,\n + 2.0600E+02, 2.0800E+02, 2.1000E+02, 2.1200E+02, 2.1400E+02,\n 1 2.1600E+02, 2.1800E+02, 2.2000E+02, 2.2200E+02, 2.2400E+02,\n + 2.2600E+02, 2.2800E+02, 2.3000E+02, 2.3200E+02, 2.3400E+02,\n 2 2.3600E+02, 2.3800E+02, 2.4000E+02, 2.4200E+02, 2.4400E+02,\n + 2.4600E+02, 2.4800E+02, 2.5000E+02, 2.5200E+02, 2.5400E+02,\n 3 2.5600E+02, 2.5800E+02, 2.6000E+02, 2.6200E+02, 2.6400E+02,\n + 2.6600E+02, 2.6800E+02, 2.7000E+02, 2.7200E+02, 2.7400E+02,\n 4 2.7600E+02, 2.7800E+02, 2.8000E+02, 2.8200E+02, 2.8400E+02,\n + 2.8600E+02, 2.8800E+02, 2.9000E+02, 2.9200E+02, 2.9400E+02,\n 5 2.9600E+02, 2.9800E+02, 3.0000E+02, 3.0200E+02, 3.0400E+02,\n + 3.0600E+02, 3.0800E+02, 3.1000E+02, 3.1200E+02, 3.1400E+02,\n 6 3.1600E+02, 3.1800E+02, 3.2000E+02, 3.2200E+02, 3.2400E+02,\n + 3.2600E+02, 3.2800E+02, 3.3000E+02, 3.3200E+02, 3.3400E+02,\n 7 3.3600E+02, 3.3800E+02, 3.4000E+02, 3.4200E+02, 3.4400E+02,\n + 3.4600E+02, 3.4800E+02, 3.5000E+02/\n\n REAL :: PAN_XC_298K( N_PAN )\n DATA PAN_XC_298K /\n O 4.2900E-18, 3.9800E-18, 3.6100E-18, 3.2500E-18, 2.9200E-18,\n + 2.6100E-18, 2.2600E-18, 1.9600E-18, 1.6800E-18, 1.4300E-18,\n 1 1.2200E-18, 1.0400E-18, 8.9700E-19, 7.7700E-19, 6.7600E-19,\n + 5.9300E-19, 5.2000E-19, 4.5800E-19, 4.0400E-19, 3.5500E-19,\n 2 3.1400E-19, 2.7900E-19, 2.4400E-19, 2.1500E-19, 1.8800E-19,\n + 1.6600E-19, 1.4600E-19, 1.2900E-19, 1.1400E-19, 1.0000E-19,\n 3 8.8600E-20, 7.8000E-20, 6.8500E-20, 6.0100E-20, 5.2300E-20,\n + 4.5400E-20, 3.9400E-20, 3.3700E-20, 2.8700E-20, 2.4500E-20,\n 4 2.0700E-20, 1.7400E-20, 1.4600E-20, 1.2100E-20, 1.0100E-20,\n + 8.1000E-21, 6.4800E-21, 5.3700E-21, 4.4700E-21, 3.6900E-21,\n 5 2.9700E-21, 2.4500E-21, 1.8900E-21, 1.5200E-21, 1.2500E-21,\n + 9.9800E-22, 8.1600E-22, 6.6600E-22, 5.3800E-22, 4.6200E-22,\n 6 3.6300E-22, 3.0000E-22, 2.5200E-22, 1.9900E-22, 1.6600E-22,\n + 1.4000E-22, 1.1700E-22, 1.0600E-22, 8.5700E-23, 6.7600E-23,\n 7 6.1500E-23, 5.2600E-23, 5.0200E-23, 3.6000E-23, 2.4100E-23,\n + 2.3100E-23, 2.4700E-23, 1.6500E-23/\n\n REAL :: PAN_XC_EXP( N_PAN )\n DATA PAN_XC_EXP /\n O 2.0200E-03, 1.7300E-03, 1.3600E-03, 1.0700E-03, 8.6000E-04,\n + 7.5000E-04, 7.1000E-04, 7.5000E-04, 8.4000E-04, 9.7000E-04,\n 1 1.1200E-03, 1.2900E-03, 1.4700E-03, 1.6400E-03, 1.8100E-03,\n + 1.9800E-03, 2.1400E-03, 2.3000E-03, 2.4600E-03, 2.6300E-03,\n 2 2.8000E-03, 2.9600E-03, 3.1100E-03, 3.2500E-03, 3.3900E-03,\n + 3.5200E-03, 3.6400E-03, 3.7600E-03, 3.8700E-03, 3.9800E-03,\n 3 4.1000E-03, 4.2300E-03, 4.3800E-03, 4.5300E-03, 4.6800E-03,\n + 4.8200E-03, 4.9700E-03, 5.1400E-03, 5.3400E-03, 5.5500E-03,\n 4 5.7600E-03, 5.9800E-03, 6.2000E-03, 6.4300E-03, 6.6700E-03,\n + 6.9000E-03, 7.1500E-03, 7.3900E-03, 7.6300E-03, 7.8600E-03,\n 5 8.0800E-03, 8.2700E-03, 8.4400E-03, 8.6100E-03, 8.7600E-03,\n + 8.8700E-03, 9.0100E-03, 9.1300E-03, 9.3000E-03, 9.4600E-03,\n 6 9.5700E-03, 9.7500E-03, 1.0000E-02, 1.0200E-02, 1.0400E-02,\n + 1.0600E-02, 1.0700E-02, 1.0900E-02, 1.1200E-02, 1.1500E-02,\n 7 1.1700E-02, 1.1900E-02, 1.2200E-02, 1.2400E-02, 1.2500E-02,\n + 1.2500E-02, 1.2500E-02, 1.2500E-02/\n\n INTEGER, PARAMETER :: N_CLONO2 = 119\n\n REAL :: WV_CLONO2( N_CLONO2 )\n DATA WV_CLONO2 /\n O 1.9600E+02, 1.9800E+02, 2.0000E+02, 2.0200E+02, 2.0400E+02,\n + 2.0600E+02, 2.0800E+02, 2.1000E+02, 2.1200E+02, 2.1400E+02,\n 1 2.1600E+02, 2.1800E+02, 2.2000E+02, 2.2200E+02, 2.2400E+02,\n + 2.2600E+02, 2.2800E+02, 2.3000E+02, 2.3200E+02, 2.3400E+02,\n 2 2.3600E+02, 2.3800E+02, 2.4000E+02, 2.4200E+02, 2.4400E+02,\n + 2.4600E+02, 2.4800E+02, 2.5000E+02, 2.5200E+02, 2.5400E+02,\n 3 2.5600E+02, 2.5800E+02, 2.6000E+02, 2.6200E+02, 2.6400E+02,\n + 2.6600E+02, 2.6800E+02, 2.7000E+02, 2.7200E+02, 2.7400E+02,\n 4 2.7600E+02, 2.7800E+02, 2.8000E+02, 2.8200E+02, 2.8400E+02,\n + 2.8600E+02, 2.8800E+02, 2.9000E+02, 2.9200E+02, 2.9400E+02,\n 5 2.9600E+02, 2.9800E+02, 3.0000E+02, 3.0200E+02, 3.0400E+02,\n + 3.0600E+02, 3.0800E+02, 3.1000E+02, 3.1200E+02, 3.1400E+02,\n 6 3.1600E+02, 3.1800E+02, 3.2000E+02, 3.2200E+02, 3.2400E+02,\n + 3.2600E+02, 3.2800E+02, 3.3000E+02, 3.3200E+02, 3.3400E+02,\n 7 3.3600E+02, 3.3800E+02, 3.4000E+02, 3.4200E+02, 3.4400E+02,\n + 3.4600E+02, 3.4800E+02, 3.5000E+02, 3.5200E+02, 3.5400E+02,\n 8 3.5600E+02, 3.5800E+02, 3.6000E+02, 3.6200E+02, 3.6400E+02,\n + 3.6600E+02, 3.6800E+02, 3.7000E+02, 3.7200E+02, 3.7400E+02,\n 9 3.7600E+02, 3.7800E+02, 3.8000E+02, 3.8200E+02, 3.8400E+02,\n + 3.8600E+02, 3.8800E+02, 3.9000E+02, 3.9200E+02, 3.9400E+02,\n O 3.9600E+02, 3.9800E+02, 4.0000E+02, 4.0200E+02, 4.0400E+02,\n + 4.0600E+02, 4.0800E+02, 4.1000E+02, 4.1200E+02, 4.1400E+02,\n 1 4.1600E+02, 4.1800E+02, 4.2000E+02, 4.2200E+02, 4.2400E+02,\n + 4.2600E+02, 4.2800E+02, 4.3000E+02, 4.3200E+02/\n\n REAL :: CLONO2_XC_296K( N_CLONO2 )\n DATA CLONO2_XC_296K /\n O 3.1000E-18, 2.9400E-18, 2.8200E-18, 2.7700E-18, 2.8000E-18,\n + 2.8800E-18, 3.0000E-18, 3.1400E-18, 3.2900E-18, 3.3900E-18,\n 1 3.4500E-18, 3.4100E-18, 3.3200E-18, 3.1400E-18, 2.9100E-18,\n + 2.6400E-18, 2.3500E-18, 2.0800E-18, 1.8200E-18, 1.5800E-18,\n 2 1.3800E-18, 1.2000E-18, 1.0500E-18, 9.1900E-19, 8.1200E-19,\n + 7.1600E-19, 6.2400E-19, 5.6000E-19, 5.0200E-19, 4.5300E-19,\n 3 4.1000E-19, 3.7200E-19, 3.3800E-19, 3.0600E-19, 2.7800E-19,\n + 2.5200E-19, 2.2700E-19, 2.0500E-19, 1.8500E-19, 1.6600E-19,\n 4 1.4900E-19, 1.3300E-19, 1.1900E-19, 1.0500E-19, 9.3500E-20,\n + 8.2600E-20, 7.2400E-20, 6.4100E-20, 5.5000E-20, 4.6700E-20,\n 5 4.0900E-20, 3.5700E-20, 3.1300E-20, 2.7400E-20, 2.3900E-20,\n + 2.0900E-20, 1.8300E-20, 1.6000E-20, 1.4000E-20, 1.2200E-20,\n 6 1.0700E-20, 9.4700E-21, 8.3100E-21, 7.3100E-21, 6.4700E-21,\n + 5.7800E-21, 5.1800E-21, 4.6600E-21, 4.2000E-21, 3.8200E-21,\n 7 3.5100E-21, 3.2600E-21, 3.0200E-21, 2.8800E-21, 2.6400E-21,\n + 2.5200E-21, 2.4300E-21, 2.2900E-21, 2.1800E-21, 2.1200E-21,\n 8 2.0500E-21, 2.0300E-21, 2.0000E-21, 1.9000E-21, 1.8400E-21,\n + 1.7500E-21, 1.6600E-21, 1.5900E-21, 1.5100E-21, 1.4400E-21,\n 9 1.3800E-21, 1.2900E-21, 1.2100E-21, 1.1500E-21, 1.0800E-21,\n + 1.0300E-21, 9.7000E-22, 9.0900E-22, 8.4900E-22, 7.8000E-22,\n O 7.4000E-22, 7.1000E-22, 6.3800E-22, 5.9900E-22, 5.6800E-22,\n + 5.1300E-22, 4.8100E-22, 4.4400E-22, 4.1300E-22, 3.7300E-22,\n 1 3.5600E-22, 3.1700E-22, 3.1600E-22, 2.7500E-22, 2.4200E-22,\n + 2.2200E-22, 2.0700E-22, 1.8900E-22, 1.8800E-22/\n\n REAL :: CLONO2_A1_296K( N_CLONO2 )\n DATA CLONO2_A1_296K /\n O 9.9000E-05, 6.7200E-05,-5.3400E-06,-1.1900E-04,-2.6000E-04,\n + -4.1200E-04,-5.6200E-04,-6.9600E-04,-8.0400E-04,-8.7400E-04,\n 1 -9.0300E-04,-8.8600E-04,-8.2800E-04,-7.3100E-04,-6.0400E-04,\n + -4.5300E-04,-2.8800E-04,-1.1300E-04, 6.1800E-05, 2.2700E-04,\n 2 3.7200E-04, 4.9100E-04, 5.8600E-04, 6.6400E-04, 7.3300E-04,\n + 8.0300E-04, 8.8500E-04, 9.8400E-04, 1.1000E-03, 1.2200E-03,\n 3 1.3300E-03, 1.4400E-03, 1.5300E-03, 1.6200E-03, 1.7000E-03,\n + 1.7800E-03, 1.8600E-03, 1.9400E-03, 2.0200E-03, 2.1100E-03,\n 4 2.0200E-03, 2.2900E-03, 2.3800E-03, 2.4700E-03, 2.5600E-03,\n + 2.6600E-03, 2.7500E-03, 2.8400E-03, 2.9500E-03, 3.0800E-03,\n 5 3.2500E-03, 3.4500E-03, 3.6400E-03, 3.8300E-03, 4.0100E-03,\n + 4.1800E-03, 4.3600E-03, 4.5300E-03, 4.7100E-03, 4.8900E-03,\n 6 5.0700E-03, 5.2400E-03, 5.4000E-03, 5.5500E-03, 5.6800E-03,\n + 5.8000E-03, 5.8800E-03, 5.9200E-03, 5.9200E-03, 5.8800E-03,\n 7 5.8000E-03, 5.6800E-03, 5.5100E-03, 5.3200E-03, 5.0700E-03,\n + 4.7600E-03, 4.3900E-03, 4.0200E-03, 3.6800E-03, 3.4000E-03,\n 8 3.1500E-03, 2.9200E-03, 2.7000E-03, 2.4700E-03, 2.2200E-03,\n + 1.9300E-03, 1.6200E-03, 1.3300E-03, 1.0700E-03, 8.6000E-04,\n 9 6.7300E-04, 5.0100E-04, 3.5300E-04, 2.5400E-04, 2.2500E-04,\n + 2.6200E-04, 3.3300E-04, 4.1000E-04, 5.0400E-04, 6.6200E-04,\n O 8.9500E-04, 1.1400E-03, 1.3800E-03, 1.6300E-03, 1.9600E-03,\n + 2.3600E-03, 2.8400E-03, 3.3800E-03, 3.9600E-03, 4.5600E-03,\n 1 5.2200E-03, 5.9600E-03, 6.7000E-03, 7.3000E-03, 7.8200E-03,\n + 8.4100E-03, 9.1100E-03, 9.7200E-03, 9.9600E-03/\n\n REAL :: CLONO2_A2_296K( N_CLONO2 )\n DATA CLONO2_A2_296K /\n O -8.3800E-06,-8.0300E-06,-7.6400E-06,-7.6400E-06,-7.5000E-06,\n + -7.7400E-06,-8.0500E-06,-8.4100E-06,-8.7500E-06,-9.0400E-06,\n 1 -9.2400E-06,-9.3500E-06,-9.3800E-06,-9.3400E-06,-9.2400E-06,\n + -9.0600E-06,-8.7700E-06,-8.3300E-06,-7.7400E-06,-7.1000E-06,\n 2 -6.5200E-06,-6.1400E-06,-5.9800E-06,-6.0400E-06,-6.2700E-06,\n + -6.5100E-06,-6.5900E-06,-6.4000E-06,-5.9300E-06,-5.3300E-06,\n 3 -4.7300E-06,-4.2200E-06,-3.7900E-06,-3.3700E-06,-2.9400E-06,\n + -2.4800E-06,-2.0000E-06,-1.5000E-06,-1.0100E-06,-4.8400E-07,\n 4 9.0200E-08, 6.7200E-07, 1.2100E-06, 1.7200E-06, 2.2100E-06,\n + 2.6800E-06, 3.0900E-06, 3.4100E-06, 3.7400E-06, 4.2700E-06,\n 5 5.1300E-06, 6.2300E-06, 7.3600E-06, 8.3800E-06, 9.3000E-06,\n + 1.0200E-05, 1.1100E-05, 1.2000E-05, 1.3000E-05, 1.4200E-05,\n 6 1.5600E-05, 1.6900E-05, 1.8400E-05, 2.0000E-05, 2.1800E-05,\n + 2.3600E-05, 2.5400E-05, 2.7000E-05, 2.8400E-05, 2.9600E-05,\n 7 3.0500E-05, 3.1000E-05, 3.1100E-05, 3.0800E-05, 2.9600E-05,\n + 2.7400E-05, 2.4200E-05, 2.0700E-05, 1.7600E-05, 1.5000E-05,\n 8 1.2700E-05, 1.0600E-05, 8.5900E-06, 6.3800E-06, 3.6600E-06,\n + 2.4200E-07,-3.6200E-06,-7.4000E-06,-1.0700E-05,-1.3300E-05,\n 9 -1.5400E-05,-1.7400E-05,-1.9100E-05,-2.0500E-05,-2.1100E-05,\n + -2.1100E-05,-2.0800E-05,-2.0500E-05,-2.0200E-05,-1.9400E-05,\n O -1.7900E-05,-1.1600E-05,-1.4200E-05,-1.2000E-05,-8.9700E-06,\n + -5.1500E-06,-6.6400E-07, 4.4700E-06, 1.0000E-05, 1.6000E-05,\n 1 2.2800E-05, 3.0700E-05, 3.8700E-05, 4.5800E-05, 5.2200E-05,\n + 5.9500E-05, 6.7900E-05, 7.5200E-05, 7.8100E-05/\n\n! CLNO2 IUPAC 2013 Data Sheet recommended temperature correction to cross-section\n! from\n! B. Ghosh, D.K. Papanastasiou, R.K. Talukdar, J.M. Roberts, and J.B. Burkholder, \n! \"Nitryl chloride (ClNO2): UV/Vis absorption spectrum between 210 and 296 K and \n! O(3P) quantum yield at 193 and 248 nm,\" J. Phys. Chem. A 116, 5796-5805 (2012); \n! DOI: 10.1021/jp207389y\n! A1 and A2 in units of 1.0E-5/K and 1.0E-5/K**2, respectively\n\n INTEGER, PARAMETER :: N_WAVE_XCLNO2 = 456\n REAL :: wave_CLNO2(N_WAVE_XCLNO2) = (/\n & 200.00, 201.00, 202.00, 203.00, 204.00, 205.00, 206.00, \n & 207.00, 208.00, 209.00, 210.00, 211.00, 212.00, 213.00, \n & 214.00, 215.00, 216.00, 217.00, 218.00, 219.00, 220.00, \n & 220.25, 220.50, 220.75, 221.00, 221.25, 221.50, 221.75, \n & 222.00, 222.25, 222.50, 222.75, 223.00, 223.25, 223.50, \n & 223.75, 224.00, 224.25, 224.50, 224.75, 225.00, 225.25, \n & 225.50, 225.75, 226.00, 226.25, 226.50, 226.75, 227.00, \n & 227.25, 227.50, 227.75, 228.00, 228.25, 228.50, 228.75, \n & 229.00, 229.25, 229.50, 229.75, 230.00, 230.25, 230.50, \n & 230.75, 231.00, 231.25, 231.50, 231.75, 232.00, 232.25, \n & 232.50, 232.75, 233.00, 233.25, 233.50, 233.75, 234.00, \n & 234.25, 234.50, 234.75, 235.00, 235.25, 235.50, 235.75, \n & 236.00, 236.25, 236.50, 236.75, 237.00, 237.25, 237.50, \n & 237.75, 238.00, 238.25, 238.50, 238.75, 239.00, 239.25, \n & 239.50, 239.75, 240.00, 240.25, 240.50, 240.75, 241.00, \n & 241.25, 241.50, 241.75, 242.00, 242.25, 242.50, 242.75, \n & 243.00, 243.25, 243.50, 243.75, 244.00, 244.25, 244.50, \n & 244.75, 245.00, 245.25, 245.50, 245.75, 246.00, 246.25, \n & 246.50, 246.75, 247.00, 247.25, 247.50, 247.75, 248.00, \n & 248.25, 248.50, 248.75, 249.00, 249.25, 249.50, 249.75, \n & 250.00, 250.25, 250.50, 250.75, 251.00, 251.25, 251.50, \n & 251.75, 252.00, 252.25, 252.50, 252.75, 253.00, 253.25, \n & 253.50, 253.75, 254.00, 254.25, 254.50, 254.75, 255.00, \n & 255.25, 255.50, 255.75, 256.00, 256.25, 256.50, 256.75, \n & 257.00, 257.25, 257.50, 257.75, 258.00, 258.25, 258.50, \n & 258.75, 259.00, 259.25, 259.50, 259.75, 260.00, 260.25, \n & 260.50, 260.75, 261.00, 261.25, 261.50, 261.75, 262.00, \n & 262.25, 262.50, 262.75, 263.00, 263.25, 263.50, 263.75, \n & 264.00, 264.25, 264.50, 264.75, 265.00, 265.25, 265.50, \n & 265.75, 266.00, 266.25, 266.50, 266.75, 267.00, 267.25, \n & 267.50, 267.75, 268.00, 268.25, 268.50, 268.75, 269.00, \n & 269.25, 269.50, 269.75, 270.00, 270.25, 270.50, 270.75, \n & 271.00, 271.25, 271.50, 271.75, 272.00, 272.25, 272.50, \n & 272.75, 273.00, 273.25, 273.50, 273.75, 274.00, 274.25, \n & 274.50, 274.75, 275.00, 275.25, 275.50, 275.75, 276.00, \n & 276.25, 276.50, 276.75, 277.00, 277.25, 277.50, 277.75, \n & 278.00, 278.25, 278.50, 278.75, 279.00, 279.25, 279.50, \n & 279.75, 280.00, 281.00, 282.00, 283.00, 284.00, 285.00, \n & 286.00, 287.00, 288.00, 289.00, 290.00, 291.00, 292.00, \n & 293.00, 294.00, 295.00, 296.00, 297.00, 298.00, 299.00, \n & 300.00, 301.00, 302.00, 303.00, 304.00, 305.00, 306.00, \n & 307.00, 308.00, 309.00, 310.00, 311.00, 312.00, 313.00, \n & 314.00, 315.00, 316.00, 317.00, 318.00, 319.00, 320.00, \n & 321.00, 322.00, 323.00, 324.00, 325.00, 326.00, 327.00, \n & 328.00, 329.00, 330.00, 331.00, 332.00, 333.00, 334.00, \n & 335.00, 336.00, 337.00, 338.00, 339.00, 340.00, 341.00, \n & 342.00, 343.00, 344.00, 345.00, 346.00, 347.00, 348.00, \n & 349.00, 350.00, 351.00, 352.00, 353.00, 354.00, 355.00, \n & 356.00, 357.00, 358.00, 359.00, 360.00, 361.00, 362.00, \n & 363.00, 364.00, 365.00, 366.00, 367.00, 368.00, 369.00, \n & 370.00, 371.00, 372.00, 373.00, 374.00, 375.00, 376.00, \n & 377.00, 378.00, 379.00, 380.00, 381.00, 382.00, 383.00, \n & 384.00, 385.00, 386.00, 387.00, 388.00, 389.00, 390.00, \n & 391.00, 392.00, 393.00, 394.00, 395.00, 396.00, 397.00, \n & 398.00, 399.00, 400.00, 401.00, 402.00, 403.00, 404.00, \n & 405.00, 406.00, 407.00, 408.00, 409.00, 410.00, 411.00, \n & 412.00, 413.00, 414.00, 415.00, 416.00, 417.00, 418.00, \n & 419.00, 420.00, 421.00, 422.00, 423.00, 424.00, 425.00, \n & 426.00, 427.00, 428.00, 429.00, 430.00, 431.00, 432.00, \n & 433.00, 434.00, 435.00, 436.00, 437.00, 438.00, 439.00, \n & 440.00, 441.00, 442.00, 443.00, 444.00, 445.00, 446.00, \n & 447.00, 448.00, 449.00, 450.00, 451.00, 452.00, 453.00, \n & 454.00, 455.00, 456.00, 457.00, 458.00, 459.00, 460.00, \n & 461.00, 462.00, 463.00, 464.00, 465.00, 466.00, 467.00, \n & 468.00, 469.00, 470.00, 471.00, 472.00, 473.00, 474.00, \n & 475.00 /)\n\n\n REAL :: A1_CLNO2(N_WAVE_XCLNO2) = (/\n & 413.0000, 380.0000, 338.0000, 295.0000, 253.0000, 211.0000, 180.0000, \n & 151.0000, 128.0000, 110.0000, 96.0000, 86.0000, 77.0000, 73.0000, \n & 68.0000, 68.0000, 66.0000, 65.0000, 67.0000, 72.0000, 73.0000, \n & 74.0000, 76.0000, 77.0000, 78.0000, 80.0000, 82.0000, 84.0000, \n & 85.0000, 87.0000, 89.0000, 91.0000, 92.0000, 94.0000, 95.0000, \n & 97.0000, 98.0000, 101.0000, 102.0000, 104.0000, 105.0000, \n & 108.0000, 110.0000, 112.0000, 115.0000, 117.0000, 119.0000, \n & 121.0000, 124.0000, 126.0000, 129.0000, 131.0000, 134.0000, \n & 136.0000, 139.0000, 142.0000, 144.0000, 146.0000, 148.0000, \n & 151.0000, 155.0000, 158.0000, 159.0000, 162.0000, 164.0000, \n & 167.0000, 171.0000, 172.0000, 174.0000, 176.0000, 178.0000, \n & 182.0000, 185.0000, 187.0000, 188.0000, 190.0000, 194.0000, \n & 197.0000, 199.0000, 200.0000, 203.0000, 205.0000, 206.0000, \n & 208.0000, 208.0000, 208.0000, 210.0000, 212.0000, 214.0000, \n & 217.0000, 220.0000, 222.0000, 223.0000, 223.0000, 222.0000, \n & 221.0000, 224.0000, 227.0000, 228.0000, 225.0000, 229.0000, \n & 233.0000, 234.0000, 234.0000, 236.0000, 234.0000, 231.0000, \n & 230.0000, 230.0000, 235.0000, 241.0000, 246.0000, 245.0000, \n & 244.0000, 238.0000, 230.0000, 222.0000, 220.0000, 227.0000, \n & 237.0000, 242.0000, 247.0000, 247.0000, 243.0000, 239.0000, \n & 229.0000, 226.0000, 226.0000, 227.0000, 233.0000, 247.0000, \n & 257.0000, 259.0000, 251.0000, 244.0000, 237.0000, 231.0000, \n & 224.0000, 223.0000, 229.0000, 239.0000, 246.0000, 251.0000, \n & 251.0000, 247.0000, 239.0000, 230.0000, 224.0000, 223.0000, \n & 226.0000, 232.0000, 239.0000, 245.0000, 248.0000, 246.0000, \n & 242.0000, 236.0000, 230.0000, 226.0000, 226.0000, 230.0000, \n & 236.0000, 243.0000, 250.0000, 255.0000, 257.0000, 254.0000, \n & 246.0000, 242.0000, 239.0000, 237.0000, 239.0000, 243.0000, \n & 249.0000, 254.0000, 257.0000, 257.0000, 256.0000, 254.0000, \n & 251.0000, 246.0000, 244.0000, 244.0000, 245.0000, 250.0000, \n & 256.0000, 261.0000, 263.0000, 264.0000, 262.0000, 258.0000, \n & 253.0000, 252.0000, 252.0000, 253.0000, 256.0000, 260.0000, \n & 262.0000, 265.0000, 267.0000, 268.0000, 265.0000, 262.0000, \n & 259.0000, 255.0000, 254.0000, 255.0000, 257.0000, 258.0000, \n & 261.0000, 264.0000, 267.0000, 267.0000, 263.0000, 260.0000, \n & 259.0000, 258.0000, 258.0000, 258.0000, 258.0000, 258.0000, \n & 257.0000, 257.0000, 258.0000, 259.0000, 258.0000, 257.0000, \n & 255.0000, 252.0000, 250.0000, 251.0000, 250.0000, 250.0000, \n & 250.0000, 247.0000, 247.0000, 246.0000, 243.0000, 241.0000, \n & 238.0000, 236.0000, 236.0000, 234.0000, 233.0000, 231.0000, \n & 230.0000, 229.0000, 223.0000, 220.0000, 218.0000, 216.0000, \n & 215.0000, 214.0000, 212.0000, 209.0000, 208.0000, 205.0000, \n & 202.0000, 199.0000, 196.0000, 194.0000, 182.0000, 171.0000, \n & 160.0000, 146.0000, 136.0000, 124.0000, 110.0000, 105.0000, \n & 95.0000, 84.0000, 79.0000, 75.0000, 70.0000, 62.0000, \n & 60.0000, 57.0000, 55.0000, 55.0000, 56.0000, 58.0000, \n & 59.0000, 61.0000, 64.0000, 67.0000, 73.0000, 79.0000, \n & 83.0000, 86.0000, 94.0000, 99.0000, 105.3000, 113.6000, \n & 118.7000, 127.0000, 135.6000, 143.9000, 151.6000, 160.3000, \n & 167.1000, 176.8000, 186.0000, 197.3000, 207.7000, 214.7000, \n & 227.6000, 235.8000, 246.7000, 256.8000, 268.1000, 278.8000, \n & 291.7000, 301.8000, 313.4000, 325.5000, 336.4000, 348.7000, \n & 361.7000, 376.4000, 386.2000, 397.9000, 408.9000, 422.7000, \n & 433.4000, 446.4000, 459.8000, 469.8000, 486.7000, 500.1000, \n & 516.8000, 522.1000, 539.7000, 552.9000, 567.2000, 579.4000, \n & 593.0000, 606.0000, 621.1000, 633.8000, 647.0000, 660.3000, \n & 674.1000, 686.9000, 701.1000, 714.4000, 726.4000, 738.0000, \n & 752.0000, 764.0000, 780.6000, 792.1000, 803.3000, 816.0000, \n & 828.6000, 839.3000, 850.9000, 863.1000, 872.0000, 883.9000, \n & 902.4000, 910.8000, 923.8000, 937.2000, 951.4000, 962.0000, \n & 974.0000, 984.4000, 990.1000, 1002.2000, 1025.9000, 1024.7000, \n & 1025.7000, 1033.6000, 1058.5000, 1070.4000, 1080.8000, \n & 1082.2000, 1092.3000, 1112.4000, 1135.2000, 1143.2000, \n & 1143.1000, 1142.4000, 1152.4000, 1156.4000, 1174.7000, \n & 1203.6000, 1216.5000, 1196.6000, 1219.7000, 1236.0000, \n & 1237.7000, 1230.5000, 1256.6000, 1288.4000, 1231.6000, \n & 1267.7000, 1308.1000, 1278.8000, 1283.9000, 1257.0000, \n & 1301.3000, 1363.6000, 1414.1000, 1435.9000, 1411.4000, \n & 1392.3000, 1342.4000, 1465.1000, 1321.3000, 1332.4000, \n & 1443.3000, 1322.1000, 1194.9000, 1388.2000, 1528.6000, \n & 1404.6000, 1321.8000, 1268.2000, 1453.1000, 1161.9000, \n & 1292.8000, 1646.1000, 1476.1000, 1528.4000, 1410.0000, \n & 1644.9000, 1567.6000, 1415.0000, 1422.3000, 1550.1000, \n & 1483.5000, 1283.0000, 1501.5000, 1185.0000, 1357.1000, \n & 1343.4000, 677.0000, 1665.7000, 2225.7000, 2100.9000, \n & 1478.2000, -261.0000, 226.4000, 2245.4000, 2395.2000, \n & 1814.8000, 1130.2000, 2273.8000, 2932.8000, 1401.8000, \n & 136.5000, -743.4000, 1244.0000, 1929.0000, 910.0000 /)\n\n REAL :: A2_CLNO2(N_WAVE_XCLNO2) = (/\n & 2.0800, 2.1000, 2.0800, 2.0400, 1.9600, 1.8500, 1.7900,\n & 1.6900, 1.6200, 1.5600, 1.5000, 1.4700, 1.4300, 1.4100, \n & 1.3800, 1.3800, 1.3500, 1.3200, 1.3100, 1.3100, 1.2900, \n & 1.2800, 1.2800, 1.2700, 1.2700, 1.2800, 1.2900, 1.2900, \n & 1.2900, 1.2800, 1.2900, 1.2900, 1.2900, 1.2900, 1.2900, \n & 1.2900, 1.2800, 1.2800, 1.2700, 1.2600, 1.2600, 1.2600, \n & 1.2600, 1.2600, 1.2600, 1.2500, 1.2500, 1.2500, 1.2600, \n & 1.2600, 1.2600, 1.2700, 1.2700, 1.2700, 1.2800, 1.2700, \n & 1.2700, 1.2700, 1.2800, 1.2800, 1.2900, 1.3000, 1.2900, \n & 1.2800, 1.2900, 1.2900, 1.3100, 1.3000, 1.2900, 1.3000, \n & 1.3000, 1.3100, 1.3200, 1.3100, 1.3100, 1.3100, 1.3300, \n & 1.3500, 1.3500, 1.3600, 1.3600, 1.3600, 1.3500, 1.3600, \n & 1.3400, 1.3300, 1.3400, 1.3500, 1.3600, 1.3700, 1.3900, \n & 1.3900, 1.3900, 1.3800, 1.3600, 1.3400, 1.3700, 1.3900, \n & 1.3900, 1.3500, 1.3900, 1.4200, 1.4200, 1.4100, 1.4300, \n & 1.4200, 1.4100, 1.3900, 1.3900, 1.4200, 1.4600, 1.5000, \n & 1.5100, 1.5000, 1.4600, 1.3900, 1.3100, 1.3000, 1.3700, \n & 1.4600, 1.4800, 1.5100, 1.5000, 1.4800, 1.4700, 1.3900, \n & 1.3800, 1.3800, 1.3800, 1.4500, 1.5700, 1.6500, 1.6400, \n & 1.5700, 1.5200, 1.4700, 1.4300, 1.3900, 1.3800, 1.4300, \n & 1.5000, 1.5500, 1.5800, 1.5800, 1.5500, 1.4900, 1.4200, \n & 1.3900, 1.3800, 1.4100, 1.4500, 1.5000, 1.5400, 1.5600, \n & 1.5400, 1.5100, 1.4700, 1.4200, 1.3900, 1.4100, 1.4400, \n & 1.4800, 1.5300, 1.5900, 1.6200, 1.6300, 1.6100, 1.5500, \n & 1.5200, 1.5000, 1.4800, 1.5000, 1.5400, 1.5800, 1.6100, \n & 1.6200, 1.6200, 1.6100, 1.6000, 1.5800, 1.5400, 1.5200, \n & 1.5200, 1.5300, 1.5700, 1.6100, 1.6500, 1.6600, 1.6500, \n & 1.6400, 1.6100, 1.5700, 1.5600, 1.5600, 1.5800, 1.6100, \n & 1.6400, 1.6500, 1.6700, 1.6800, 1.6900, 1.6600, 1.6300, \n & 1.6000, 1.5800, 1.5700, 1.5900, 1.6100, 1.6100, 1.6300, \n & 1.6600, 1.6800, 1.6800, 1.6400, 1.6200, 1.6100, 1.6200, \n & 1.6300, 1.6400, 1.6500, 1.6500, 1.6300, 1.6400, 1.6500, \n & 1.6600, 1.6600, 1.6600, 1.6500, 1.6300, 1.6200, 1.6400, \n & 1.6500, 1.6500, 1.6600, 1.6500, 1.6500, 1.6500, 1.6300, \n & 1.6100, 1.5900, 1.5800, 1.5900, 1.6000, 1.6000, 1.6100, \n & 1.6100, 1.6200, 1.5800, 1.5600, 1.5600, 1.5600, 1.5600, \n & 1.5700, 1.5600, 1.5600, 1.5700, 1.5600, 1.5400, 1.5200, \n & 1.5200, 1.5200, 1.5000, 1.4800, 1.4500, 1.3900, 1.3600, \n & 1.3300, 1.2700, 1.2800, 1.2300, 1.1700, 1.1400, 1.1200, \n & 1.1200, 1.0600, 1.0400, 1.0000, 0.9600, 0.9400, 0.9300, \n & 0.9100, 0.8900, 0.8600, 0.8500, 0.8100, 0.8200, 0.8200, \n & 0.8000, 0.7600, 0.7700, 0.7400, 0.7300, 0.7400, 0.7100, \n & 0.7100, 0.7000, 0.7000, 0.6900, 0.6800, 0.6500, 0.6600, \n & 0.6600, 0.6700, 0.6900, 0.6600, 0.6900, 0.6600, 0.6700, \n & 0.6700, 0.6800, 0.6800, 0.7100, 0.7100, 0.7200, 0.7300, \n & 0.7400, 0.7700, 0.7900, 0.8400, 0.8400, 0.8600, 0.8700, \n & 0.8900, 0.9000, 0.9300, 0.9700, 0.9600, 1.0408, 1.0862, \n & 1.1660, 1.1449, 1.2572, 1.2938, 1.3790, 1.4078, 1.4617, \n & 1.5041, 1.5678, 1.6182, 1.6656, 1.7166, 1.7806, 1.8283, \n & 1.8958, 1.9573, 2.0010, 2.0425, 2.1187, 2.1712, 2.2865, \n & 2.3378, 2.3827, 2.4475, 2.5116, 2.5491, 2.6067, 2.6585, \n & 2.6906, 2.7567, 2.8881, 2.9282, 3.0187, 3.1009, 3.2127, \n & 3.2702, 3.3460, 3.4010, 3.3733, 3.4571, 3.7142, 3.6578, \n & 3.5651, 3.5548, 3.8147, 3.9261, 3.9704, 3.9567, 3.9966, \n & 4.1494, 4.3811, 4.4706, 4.4151, 4.3398, 4.4287, 4.4236, \n & 4.5284, 4.9377, 5.1234, 4.7891, 4.9766, 5.1677, 5.1393, \n & 4.8698, 5.1817, 5.6253, 4.8910, 5.3019, 5.8144, 5.4637, \n & 5.4074, 4.9192, 5.2297, 5.9976, 6.6708, 7.0486, 7.0379, \n & 6.7606, 5.9166, 7.5079, 5.3317, 5.6931, 7.5198, 6.1573, \n & 3.5562, 6.3833, 8.5640, 6.7140, 5.3960, 4.5840, 7.3280, \n & 2.7530, 4.9100, 10.3400, 7.8590, 8.2740, 6.7850, 10.0400, \n & 9.1900, 6.3940, 6.8460, 8.9660, 8.1330, 5.3480, 8.1140, \n & 2.8790, 5.0610, 4.8080, -4.0700, 10.6800, 19.7800, \n & 17.8100, 8.4930, -18.3290, -10.7120, 18.8900, 21.9100, \n & 13.1400, 1.7060, 19.5000, 30.5600, 6.4120, -10.1170,\n & -24.6090, 8.1620, 15.0100, 2.2140 /)\n\n! Ozone photolysis cross-sections recommended by NASA_JPL(2006) \n\n INTEGER, PARAMETER :: N_O3_XC = 167\n\n REAL :: WV_O3_XC( N_O3_XC )\n DATA WV_O3_XC /\n O 1.8518E+02, 1.8692E+02, 1.8868E+02, 1.9048E+02, 1.9231E+02,\n + 1.9418E+02, 1.9608E+02, 1.9802E+02, 2.0000E+02, 2.0202E+02,\n 1 2.0408E+02, 2.0619E+02, 2.0833E+02, 2.1053E+02, 2.1277E+02,\n + 2.1505E+02, 2.1739E+02, 2.1978E+02, 2.2222E+02, 2.2472E+02,\n 2 2.2727E+02, 2.2988E+02, 2.3256E+02, 2.3529E+02, 2.3810E+02,\n + 2.4096E+02, 2.4390E+02, 2.4691E+02, 2.5000E+02, 2.5316E+02,\n 3 2.5641E+02, 2.5974E+02, 2.6316E+02, 2.6667E+02, 2.7027E+02,\n + 2.7397E+02, 2.7778E+02, 2.8169E+02, 2.8571E+02, 2.8986E+02,\n 4 2.9412E+02, 2.9851E+02, 2.9950E+02, 3.0050E+02, 3.0150E+02,\n + 3.0250E+02, 3.0350E+02, 3.0450E+02, 3.0550E+02, 3.0650E+02,\n 5 3.0750E+02, 3.0850E+02, 3.0950E+02, 3.1050E+02, 3.1150E+02,\n + 3.1250E+02, 3.1350E+02, 3.1450E+02, 3.1550E+02, 3.1650E+02,\n 6 3.1750E+02, 3.1850E+02, 3.1950E+02, 3.2050E+02, 3.2150E+02,\n + 3.2350E+02, 3.2550E+02, 3.2750E+02, 3.3250E+02, 3.3750E+02,\n 7 3.4250E+02, 3.4750E+02, 3.5250E+02, 3.5750E+02, 3.6250E+02,\n + 3.6750E+02, 3.7250E+02, 3.7750E+02, 3.8250E+02, 3.8750E+02,\n 8 3.9250E+02, 3.9750E+02, 4.0250E+02, 4.0750E+02, 4.1250E+02,\n + 4.1750E+02, 4.2250E+02, 4.2750E+02, 4.3250E+02, 4.3750E+02,\n 9 4.4250E+02, 4.4750E+02, 4.5250E+02, 4.5750E+02, 4.6250E+02,\n + 4.6750E+02, 4.7250E+02, 4.7750E+02, 4.8250E+02, 4.8750E+02,\n O 4.9250E+02, 4.9750E+02, 5.0250E+02, 5.0750E+02, 5.1250E+02,\n + 5.1750E+02, 5.2250E+02, 5.2750E+02, 5.3250E+02, 5.3750E+02,\n 1 5.4250E+02, 5.4750E+02, 5.5250E+02, 5.5750E+02, 5.6250E+02,\n + 5.6750E+02, 5.7250E+02, 5.7750E+02, 5.8250E+02, 5.8750E+02,\n 2 5.9250E+02, 5.9750E+02, 6.0250E+02, 6.0750E+02, 6.1250E+02,\n + 6.1750E+02, 6.2250E+02, 6.2750E+02, 6.3250E+02, 6.3750E+02,\n 3 6.4250E+02, 6.4750E+02, 6.5250E+02, 6.5750E+02, 6.6250E+02,\n + 6.6750E+02, 6.7250E+02, 6.7750E+02, 6.8250E+02, 6.8750E+02,\n 4 6.9250E+02, 6.9750E+02, 7.0250E+02, 7.0750E+02, 7.1250E+02,\n + 7.1750E+02, 7.2250E+02, 7.2750E+02, 7.3250E+02, 7.3750E+02,\n 5 7.4250E+02, 7.4750E+02, 7.5250E+02, 7.5750E+02, 7.6250E+02,\n + 7.6750E+02, 7.7250E+02, 7.7750E+02, 7.8250E+02, 7.8750E+02,\n 6 7.9250E+02, 7.9750E+02, 8.0250E+02, 8.0750E+02, 8.1250E+02,\n + 8.1750E+02, 8.2250E+02/\n\n REAL :: O3_XC_218K( N_O3_XC )\n DATA O3_XC_218K /\n O 6.2200E-19, 5.7600E-19, 5.2600E-19, 4.7700E-19, 4.2900E-19,\n + 3.8500E-19, 3.4400E-19, 3.2000E-19, 3.1200E-19, 3.2400E-19,\n 1 3.6200E-19, 4.3200E-19, 5.4200E-19, 6.9600E-19, 9.0600E-19,\n + 1.1900E-18, 1.5500E-18, 2.0100E-18, 2.5600E-18, 3.2300E-18,\n 2 4.0300E-18, 4.9200E-18, 5.8900E-18, 6.9200E-18, 7.9900E-18,\n + 9.0500E-18, 9.9500E-18, 1.0740E-17, 1.1160E-17, 1.1360E-17,\n 3 1.1050E-17, 1.0470E-17, 9.5200E-18, 8.2300E-18, 6.8100E-18,\n + 5.3100E-18, 3.9100E-18, 2.7100E-18, 1.7500E-18, 1.0500E-18,\n 4 5.9400E-19, 4.0700E-19, 3.5100E-19, 3.0500E-19, 2.6900E-19,\n + 2.2900E-19, 2.0600E-19, 1.7300E-19, 1.5600E-19, 1.3300E-19,\n 5 1.1500E-19, 1.0400E-19, 8.5000E-20, 7.7600E-20, 6.5300E-20,\n + 5.6200E-20, 5.0500E-20, 4.0800E-20, 3.8200E-20, 3.1100E-20,\n 6 2.9400E-20, 2.1100E-20, 2.4100E-20, 1.4300E-20, 1.5700E-20,\n + 1.0200E-20, 6.5800E-21, 4.8300E-21, 2.0400E-21, 7.9700E-22,\n 7 7.7900E-22, 3.0600E-22, 1.3600E-22, 6.9400E-23, 3.0500E-23,\n + 1.3000E-23, 8.5000E-24, 5.7200E-24, 5.4200E-24, 6.6800E-24,\n 8 9.5600E-24, 1.1500E-23, 1.5800E-23, 2.5800E-23, 2.9500E-23,\n + 3.9300E-23, 6.5600E-23, 6.9700E-23, 8.8200E-23, 1.3700E-22,\n 9 1.6500E-22, 1.8500E-22, 2.1800E-22, 3.6600E-22, 3.6700E-22,\n + 4.1000E-22, 4.8100E-22, 7.5400E-22, 8.1300E-22, 8.1600E-22,\n O 9.0800E-22, 1.2100E-21, 1.6000E-21, 1.5800E-21, 1.6600E-21,\n + 1.8300E-21, 2.1900E-21, 2.6700E-21, 2.8700E-21, 2.9500E-21,\n 1 3.1900E-21, 3.3700E-21, 3.5800E-21, 3.9800E-21, 4.3900E-21,\n + 4.6700E-21, 4.8100E-21, 4.6400E-21, 4.4600E-21, 4.4700E-21,\n 2 4.7600E-21, 5.1300E-21, 5.1400E-21, 4.7800E-21, 4.3800E-21,\n + 4.0600E-21, 3.8200E-21, 3.5600E-21, 3.2700E-21, 2.9700E-21,\n 3 2.7100E-21, 2.5100E-21, 2.3100E-21, 2.1000E-21, 1.9000E-21,\n + 1.7000E-21, 1.5100E-21, 1.3700E-21, 1.2600E-21, 1.1300E-21,\n 4 9.8900E-22, 8.6800E-22, 7.8400E-22, 7.3100E-22, 6.9600E-22,\n + 6.2200E-22, 5.4300E-22, 4.7800E-22, 4.4200E-22, 4.3200E-22,\n 5 4.4700E-22, 4.2500E-22, 3.3800E-22, 2.8600E-22, 2.6200E-22,\n + 2.6000E-22, 2.9400E-22, 3.1800E-22, 2.6200E-22, 2.0800E-22,\n 6 1.7300E-22, 1.5700E-22, 1.5600E-22, 1.8600E-22, 2.2100E-22,\n + 2.0600E-22, 1.4500E-22/\n\n REAL :: O3_XC_293K( N_O3_XC )\n DATA O3_XC_293K /\n O 6.2200E-19, 5.7600E-19, 5.2600E-19, 4.7700E-19, 4.2900E-19,\n + 3.8500E-19, 3.4900E-19, 3.2400E-19, 3.1500E-19, 3.2600E-19,\n 1 3.6300E-19, 4.3300E-19, 5.3900E-19, 6.9300E-19, 9.0300E-19,\n + 1.1800E-18, 1.5400E-18, 1.9900E-18, 2.5500E-18, 3.2200E-18,\n 2 4.0100E-18, 4.9000E-18, 5.9000E-18, 6.9300E-18, 8.0200E-18,\n + 9.0800E-18, 1.0010E-17, 1.0800E-17, 1.1250E-17, 1.1480E-17,\n 3 1.1220E-17, 1.0640E-17, 9.6800E-18, 8.4000E-18, 6.9800E-18,\n + 5.4700E-18, 4.0600E-18, 2.8200E-18, 1.8400E-18, 1.1300E-18,\n 4 6.5100E-19, 4.5200E-19, 3.9200E-19, 3.4300E-19, 3.0300E-19,\n + 2.6200E-19, 2.3400E-19, 2.0100E-19, 1.7900E-19, 1.5500E-19,\n 5 1.3500E-19, 1.2200E-19, 1.0200E-19, 9.2400E-20, 7.9500E-20,\n + 6.9100E-20, 6.2500E-20, 5.1900E-20, 4.7700E-20, 4.0200E-20,\n 6 3.7200E-20, 2.8900E-20, 2.9900E-20, 2.1000E-20, 2.0500E-20,\n + 1.4100E-20, 1.0100E-20, 6.9700E-21, 3.2000E-21, 1.4600E-21,\n 7 7.7900E-22, 3.0600E-22, 1.3600E-22, 6.9400E-23, 3.0500E-23,\n + 1.3000E-23, 8.5000E-24, 5.7200E-24, 5.4200E-24, 6.6800E-24,\n 8 9.5600E-24, 1.1500E-23, 1.5800E-23, 2.5800E-23, 2.9500E-23,\n + 3.9300E-23, 6.5600E-23, 6.9700E-23, 8.8200E-23, 1.3700E-22,\n 9 1.6500E-22, 1.8500E-22, 2.1800E-22, 3.6600E-22, 3.6700E-22,\n + 4.1000E-22, 4.8100E-22, 7.5400E-22, 8.1300E-22, 8.1600E-22,\n O 9.0800E-22, 1.2100E-21, 1.6000E-21, 1.5800E-21, 1.6600E-21,\n + 1.8300E-21, 2.1900E-21, 2.6700E-21, 2.8700E-21, 2.9500E-21,\n 1 3.1900E-21, 3.3700E-21, 3.5800E-21, 3.9800E-21, 4.3900E-21,\n + 4.6700E-21, 4.8100E-21, 4.6400E-21, 4.4600E-21, 4.4700E-21,\n 2 4.7600E-21, 5.1300E-21, 5.1400E-21, 4.7800E-21, 4.3800E-21,\n + 4.0600E-21, 3.8200E-21, 3.5600E-21, 3.2700E-21, 2.9700E-21,\n 3 2.7100E-21, 2.5100E-21, 2.3100E-21, 2.1000E-21, 1.9000E-21,\n + 1.7000E-21, 1.5100E-21, 1.3700E-21, 1.2600E-21, 1.1300E-21,\n 4 9.8900E-22, 8.6800E-22, 7.8400E-22, 7.3100E-22, 6.9600E-22,\n + 6.2200E-22, 5.4300E-22, 4.7800E-22, 4.4200E-22, 4.3200E-22,\n 5 4.4700E-22, 4.2500E-22, 3.3800E-22, 2.8600E-22, 2.6200E-22,\n + 2.6000E-22, 2.9400E-22, 3.1800E-22, 2.6200E-22, 2.0800E-22,\n 6 1.7300E-22, 1.5700E-22, 1.5600E-22, 1.8600E-22, 2.2100E-22,\n + 2.0600E-22, 1.4500E-22/\n\n!IUPAC(2005)_Subcommittee_on_Gas_Kinetic_Data_Evaluation \n!Data_Sheet_P17 \n\n INTEGER, PARAMETER :: N_IC3ONO2_XC = 37\n\n REAL :: WV_IC3ONO2_XC( N_IC3ONO2_XC )\n DATA WV_IC3ONO2_XC /\n O 1.8500E+02, 1.8800E+02, 1.9000E+02, 1.9500E+02, 2.0000E+02,\n + 2.0500E+02, 2.1000E+02, 2.1500E+02, 2.2000E+02, 2.2500E+02,\n 1 2.3000E+02, 2.3500E+02, 2.4000E+02, 2.4500E+02, 2.5000E+02,\n + 2.5500E+02, 2.6000E+02, 2.6500E+02, 2.7000E+02, 2.7500E+02,\n 2 2.8000E+02, 2.8500E+02, 2.9000E+02, 2.9500E+02, 3.0000E+02,\n + 3.0500E+02, 3.1000E+02, 3.1500E+02, 3.2000E+02, 3.2500E+02,\n 3 3.3000E+02, 3.3500E+02, 3.4000E+02, 3.4500E+02, 3.5000E+02,\n + 3.5500E+02, 3.6000E+02/\n\n REAL :: IC3ONO2_XC_298K( N_IC3ONO2_XC )\n DATA IC3ONO2_XC_298K /\n O 1.7900E-17, 1.8100E-17, 1.7900E-17, 1.6100E-17, 1.2600E-17,\n + 8.6700E-18, 4.9800E-18, 2.4700E-18, 1.2500E-18, 6.2000E-19,\n 1 3.4000E-19, 1.8000E-19, 1.1000E-19, 7.0000E-20, 5.4000E-20,\n + 4.9000E-20, 4.6000E-20, 4.3000E-20, 3.9000E-20, 3.4000E-20,\n 2 2.8000E-20, 2.2000E-20, 1.6000E-20, 1.2000E-20, 7.8000E-21,\n + 5.0000E-21, 2.9000E-21, 1.7000E-21, 8.5000E-22, 4.4000E-22,\n 3 2.2000E-22, 1.1000E-22, 5.3000E-23, 1.8000E-23, 8.0000E-24,\n + 2.9000E-24, 1.8000E-24/\n\n REAL :: IC3ONO2_XC_B( N_IC3ONO2_XC )\n DATA IC3ONO2_XC_B /\n O 0.0000E+00, 0.0000E+00, 0.0000E+00, 0.0000E+00, 0.0000E+00,\n + 0.0000E+00, 0.0000E+00, 0.0000E+00, 0.0000E+00, 0.0000E+00,\n 1 0.0000E+00, 0.0000E+00, 2.8000E-03, 2.7000E-03, 2.5000E-03,\n + 2.5000E-03, 2.6000E-03, 2.8000E-03, 3.1000E-03, 3.3000E-03,\n 2 3.6000E-03, 4.0000E-03, 4.4000E-03, 4.8000E-03, 5.4000E-03,\n + 6.1000E-03, 6.9000E-03, 8.1000E-03, 9.4000E-03, 1.1100E-02,\n 3 1.1900E-02, 1.4000E-02, 1.3900E-02, 0.0000E+00, 0.0000E+00,\n + 0.0000E+00, 0.0000E+00/\n\n! NASA JPL (2006)\n!(1) HCHOR-06: CH2O + hc --> H + HCO \n!(2) HCHOM-06: CH2O + hv --> H2 + CO \n!Absorption Cross Sections of CH2O at 298 K and Temperature Coefficients \n!Averaged over 1-nm Intervals-Valid from 195K to 300K \n! XC(T) = XC(300K)+ DXC/DT*(T-300K) \n\n INTEGER, PARAMETER :: N_HCHO_XC = 150\n\n REAL :: WV_HCHO_XC( N_HCHO_XC )\n DATA WV_HCHO_XC /\n O 2.2600E+02, 2.2700E+02, 2.2800E+02, 2.2900E+02, 2.3000E+02,\n + 2.3100E+02, 2.3200E+02, 2.3300E+02, 2.3400E+02, 2.3500E+02,\n 1 2.3600E+02, 2.3700E+02, 2.3800E+02, 2.3900E+02, 2.4000E+02,\n + 2.4100E+02, 2.4200E+02, 2.4300E+02, 2.4400E+02, 2.4500E+02,\n 2 2.4600E+02, 2.4700E+02, 2.4800E+02, 2.4900E+02, 2.5000E+02,\n + 2.5100E+02, 2.5200E+02, 2.5300E+02, 2.5400E+02, 2.5500E+02,\n 3 2.5600E+02, 2.5700E+02, 2.5800E+02, 2.5900E+02, 2.6000E+02,\n + 2.6100E+02, 2.6200E+02, 2.6300E+02, 2.6400E+02, 2.6500E+02,\n 4 2.6600E+02, 2.6700E+02, 2.6800E+02, 2.6900E+02, 2.7000E+02,\n + 2.7100E+02, 2.7200E+02, 2.7300E+02, 2.7400E+02, 2.7500E+02,\n 5 2.7600E+02, 2.7700E+02, 2.7800E+02, 2.7900E+02, 2.8000E+02,\n + 2.8100E+02, 2.8200E+02, 2.8300E+02, 2.8400E+02, 2.8500E+02,\n 6 2.8600E+02, 2.8700E+02, 2.8800E+02, 2.8900E+02, 2.9000E+02,\n + 2.9100E+02, 2.9200E+02, 2.9300E+02, 2.9400E+02, 2.9500E+02,\n 7 2.9600E+02, 2.9700E+02, 2.9800E+02, 2.9900E+02, 3.0000E+02,\n + 3.0100E+02, 3.0200E+02, 3.0300E+02, 3.0400E+02, 3.0500E+02,\n 8 3.0600E+02, 3.0700E+02, 3.0800E+02, 3.0900E+02, 3.1000E+02,\n + 3.1100E+02, 3.1200E+02, 3.1300E+02, 3.1400E+02, 3.1500E+02,\n 9 3.1600E+02, 3.1700E+02, 3.1800E+02, 3.1900E+02, 3.2000E+02,\n + 3.2100E+02, 3.2200E+02, 3.2300E+02, 3.2400E+02, 3.2500E+02,\n O 3.2600E+02, 3.2700E+02, 3.2800E+02, 3.2900E+02, 3.3000E+02,\n + 3.3100E+02, 3.3200E+02, 3.3300E+02, 3.3400E+02, 3.3500E+02,\n 1 3.3600E+02, 3.3700E+02, 3.3800E+02, 3.3900E+02, 3.4000E+02,\n + 3.4100E+02, 3.4200E+02, 3.4300E+02, 3.4400E+02, 3.4500E+02,\n 2 3.4600E+02, 3.4700E+02, 3.4800E+02, 3.4900E+02, 3.5000E+02,\n + 3.5100E+02, 3.5200E+02, 3.5300E+02, 3.5400E+02, 3.5500E+02,\n 3 3.5600E+02, 3.5700E+02, 3.5800E+02, 3.5900E+02, 3.6000E+02,\n + 3.6100E+02, 3.6200E+02, 3.6300E+02, 3.6400E+02, 3.6500E+02,\n 4 3.6600E+02, 3.6700E+02, 3.6800E+02, 3.6900E+02, 3.7000E+02,\n + 3.7100E+02, 3.7200E+02, 3.7300E+02, 3.7400E+02, 3.7500E+02/\n\n REAL :: HCHO_XC_300K( N_HCHO_XC )\n DATA HCHO_XC_300K /\n O 1.7900E-22, 1.6900E-22, 1.7700E-22, 1.9000E-22, 2.0500E-22,\n + 3.3000E-22, 3.3500E-22, 2.6200E-22, 3.2500E-22, 3.6300E-22,\n 1 5.3900E-22, 7.7100E-22, 5.6900E-22, 6.8200E-22, 7.8200E-22,\n + 7.7500E-22, 1.2300E-21, 1.5900E-21, 1.0900E-21, 1.3100E-21,\n 2 1.6300E-21, 1.5100E-21, 2.3400E-21, 3.1800E-21, 2.5700E-21,\n + 2.0400E-21, 3.3700E-21, 2.8900E-21, 3.4200E-21, 4.5000E-21,\n 3 6.2900E-21, 4.4300E-21, 3.0700E-21, 6.1800E-21, 6.0400E-21,\n + 6.6000E-21, 6.0200E-21, 1.0800E-20, 9.4700E-21, 5.3000E-21,\n 4 5.3800E-21, 1.3600E-20, 1.2400E-20, 9.9000E-21, 9.6000E-21,\n + 1.9400E-20, 1.4300E-20, 8.1000E-21, 6.5700E-21, 2.1500E-20,\n 5 2.5900E-20, 1.5700E-20, 1.0300E-20, 2.4500E-20, 2.3400E-20,\n + 1.5600E-20, 9.7200E-21, 7.2000E-21, 4.2700E-20, 4.0500E-20,\n 6 2.0900E-20, 1.1500E-20, 3.1700E-20, 3.2200E-20, 1.1700E-20,\n + 1.8400E-20, 7.9600E-21, 3.1100E-20, 7.1500E-20, 4.0600E-20,\n 7 2.4800E-20, 1.3600E-20, 4.2200E-20, 3.1700E-20, 9.6300E-21,\n + 1.6300E-20, 8.5200E-21, 3.0200E-20, 7.2300E-20, 4.7400E-20,\n 8 4.2900E-20, 1.7800E-20, 1.3800E-20, 3.2600E-20, 1.7400E-20,\n + 4.6100E-21, 1.1900E-20, 9.0200E-21, 5.6500E-20, 5.5600E-20,\n 9 2.5400E-20, 5.7900E-20, 3.1500E-20, 9.7500E-21, 1.1900E-20,\n + 1.6000E-20, 7.2100E-21, 3.2700E-21, 8.6100E-21, 1.5400E-20,\n O 6.8700E-20, 4.3700E-20, 1.2200E-20, 3.1200E-20, 3.8600E-20,\n + 1.4100E-20, 3.4600E-21, 2.1400E-21, 1.5900E-21, 9.6600E-22,\n 1 1.2600E-21, 3.8300E-21, 1.9200E-20, 5.5000E-20, 3.1500E-20,\n + 9.7800E-21, 5.0400E-21, 1.9200E-20, 1.2700E-20, 4.3600E-21,\n 2 1.1900E-21, 4.4100E-22, 7.5700E-22, 3.7800E-22, 3.6000E-22,\n + 8.9400E-22, 7.3100E-21, 2.2800E-20, 1.6500E-20, 6.9600E-21,\n 3 1.4800E-21, 3.4400E-22, 1.8600E-22, 1.1100E-22, 8.7000E-23,\n + 1.0000E-22, 2.1100E-22, 1.4100E-22, 9.4000E-23, 8.8000E-23,\n 4 8.5000E-23, 9.1000E-23, 1.4300E-22, 2.9700E-22, 6.3600E-22,\n + 5.7200E-22, 1.9700E-22, 1.1300E-22, 9.1000E-23, 8.7000E-23/\n\n REAL :: HCHO_XC_A( N_HCHO_XC )\n DATA HCHO_XC_A /\n O 0.0000E+00, 0.0000E+00, 0.0000E+00, 0.0000E+00, 0.0000E+00,\n + 0.0000E+00, 0.0000E+00, 0.0000E+00, 0.0000E+00, 0.0000E+00,\n 1 0.0000E+00, 0.0000E+00, 0.0000E+00, 0.0000E+00, 0.0000E+00,\n + 0.0000E+00, 0.0000E+00, 0.0000E+00, 0.0000E+00, 0.0000E+00,\n 2 0.0000E+00, 0.0000E+00, 0.0000E+00, 0.0000E+00, 2.0300E-25,\n + 1.7700E-25,-7.2000E-26, 1.0100E-25, 1.3700E-25, 2.7200E-25,\n 3 1.6900E-25, 8.8000E-25, 6.8100E-25, 8.4000E-26, 4.4700E-25,\n + 9.3000E-26, 6.3500E-25,-8.1300E-25, 5.8000E-25, 1.0040E-24,\n 4 4.3100E-25,-8.8000E-25,-1.2000E-25, 1.1160E-24, 7.4800E-25,\n + -1.3070E-24, 1.0000E-24, 1.2280E-24, 8.7100E-25,-2.7330E-24,\n 5 -2.0400E-24, 1.9330E-24, 1.4270E-24,-2.5470E-24,-6.8000E-25,\n + 5.6000E-25, 8.0900E-25, 5.0000E-27,-8.7200E-24,-1.8000E-24,\n 6 1.5870E-24, 7.6000E-25,-4.7070E-24,-1.2130E-24, 1.7070E-24,\n + -1.1600E-24, 1.1550E-24,-4.9070E-24,-1.0213E-23, 3.8270E-24,\n 7 2.1200E-24, 1.3870E-24,-4.9330E-24, 1.4800E-24, 4.2670E-24,\n + -2.5730E-24,-2.3250E-24,-3.6000E-24,-4.8270E-24, 4.1730E-24,\n 8 3.2000E-25, 3.1870E-24, 3.3300E-25,-3.8670E-24, 2.3600E-24,\n + 7.5000E-26,-1.2270E-24,-1.4390E-24, 7.2000E-25, 2.5870E-24,\n 9 4.7600E-24,-2.4670E-24, 3.3070E-24, 2.5320E-24, 2.4000E-25,\n + -2.1870E-24, 1.4900E-25, 3.8900E-25,-4.5600E-25, 2.2130E-24,\n O -5.6400E-24, 5.4400E-24, 5.0670E-24,-3.3470E-24,-2.1730E-24,\n + 3.9070E-24, 1.7920E-24, 4.2900E-25,-2.2800E-25,-5.0000E-27,\n 1 3.2500E-25, 3.2900E-25, 1.6000E-24,-6.5870E-24, 5.5200E-24,\n + 5.8630E-24, 1.2160E-24,-2.9870E-24, 1.8700E-25, 2.7650E-24,\n 2 5.4100E-25,-2.8100E-25,-6.6400E-25,-5.6000E-25,-7.2800E-25,\n + -1.2100E-25, 3.6800E-25,-5.3200E-24, 6.0000E-25, 2.4560E-24,\n 3 -3.8800E-25, 0.0000E+00, 0.0000E+00, 0.0000E+00, 0.0000E+00,\n + 0.0000E+00, 0.0000E+00, 0.0000E+00, 0.0000E+00, 0.0000E+00,\n 4 0.0000E+00, 0.0000E+00, 0.0000E+00, 0.0000E+00, 0.0000E+00,\n + 0.0000E+00, 0.0000E+00, 0.0000E+00, 0.0000E+00, 0.0000E+00/\n\n!Quantum Yields for Photolysis of CH2O at 296-300 K \n!QY1(LAMBDA, PRESSURE, T) = [(1/ (1 - (QY1)) + A(LAMBA,T)*Pressure]**(-1) \n!A(LAMBDA, T) = A(LAMBDA, 300)*( 1 + 0.05*(LAMBDA-329)*(( T - 80)/80) ) \n!A(LAMBDA, 300) = 1/Pressure*( 1/QY2(LAMBDA, Pressure, 300) - 1/(1-QY1(LAMBDA))) \n!pressure is in atmospheres \n!valid from 220K to 300K \n\n INTEGER, PARAMETER :: N_HCHO_QY = 112\n\n REAL :: WV_HCHO_QY( N_HCHO_QY )\n DATA WV_HCHO_QY /\n O 2.5000E+02, 2.5100E+02, 2.5200E+02, 2.5300E+02, 2.5400E+02,\n + 2.5500E+02, 2.5600E+02, 2.5700E+02, 2.5800E+02, 2.5900E+02,\n 1 2.6000E+02, 2.6100E+02, 2.6200E+02, 2.6300E+02, 2.6400E+02,\n + 2.6500E+02, 2.6600E+02, 2.6700E+02, 2.6800E+02, 2.6900E+02,\n 2 2.7000E+02, 2.7100E+02, 2.7200E+02, 2.7300E+02, 2.7400E+02,\n + 2.7500E+02, 2.7600E+02, 2.7700E+02, 2.7800E+02, 2.7900E+02,\n 3 2.8000E+02, 2.8100E+02, 2.8200E+02, 2.8300E+02, 2.8400E+02,\n + 2.8500E+02, 2.8600E+02, 2.8700E+02, 2.8800E+02, 2.8900E+02,\n 4 2.9000E+02, 2.9100E+02, 2.9200E+02, 2.9300E+02, 2.9400E+02,\n + 2.9500E+02, 2.9600E+02, 2.9700E+02, 2.9800E+02, 2.9900E+02,\n 5 3.0000E+02, 3.0100E+02, 3.0200E+02, 3.0300E+02, 3.0400E+02,\n + 3.0500E+02, 3.0600E+02, 3.0700E+02, 3.0800E+02, 3.0900E+02,\n 6 3.1000E+02, 3.1100E+02, 3.1200E+02, 3.1300E+02, 3.1400E+02,\n + 3.1500E+02, 3.1600E+02, 3.1700E+02, 3.1800E+02, 3.1900E+02,\n 7 3.2000E+02, 3.2100E+02, 3.2200E+02, 3.2300E+02, 3.2400E+02,\n + 3.2500E+02, 3.2600E+02, 3.2700E+02, 3.2800E+02, 3.2900E+02,\n 8 3.3000E+02, 3.3100E+02, 3.3200E+02, 3.3300E+02, 3.3400E+02,\n + 3.3500E+02, 3.3600E+02, 3.3700E+02, 3.3800E+02, 3.3900E+02,\n 9 3.4000E+02, 3.4100E+02, 3.4200E+02, 3.4300E+02, 3.4400E+02,\n + 3.4500E+02, 3.4600E+02, 3.4700E+02, 3.4800E+02, 3.4900E+02,\n O 3.5000E+02, 3.5100E+02, 3.5200E+02, 3.5300E+02, 3.5400E+02,\n + 3.5500E+02, 3.5600E+02, 3.5700E+02, 3.5800E+02, 3.5900E+02,\n 1 3.6000E+02, 3.6100E+02/\n\n REAL :: HCHO_QYR( N_HCHO_QY )\n DATA HCHO_QYR /\n O 3.1700E-01, 3.1100E-01, 3.0700E-01, 3.0400E-01, 3.0300E-01,\n + 3.0300E-01, 3.0500E-01, 3.0700E-01, 3.1100E-01, 3.1600E-01,\n 1 3.2200E-01, 3.2900E-01, 3.3700E-01, 3.4600E-01, 3.5500E-01,\n + 3.6600E-01, 3.7700E-01, 3.8800E-01, 4.0000E-01, 4.1300E-01,\n 2 4.2500E-01, 4.3900E-01, 4.5200E-01, 4.6600E-01, 4.8000E-01,\n + 4.9400E-01, 5.0800E-01, 6.2300E-01, 5.3700E-01, 5.5100E-01,\n 3 5.6500E-01, 5.7900E-01, 5.9300E-01, 6.0700E-01, 6.2000E-01,\n + 6.3300E-01, 6.4500E-01, 6.5700E-01, 6.6900E-01, 6.8000E-01,\n 4 6.9000E-01, 7.0000E-01, 7.1000E-01, 7.1800E-01, 7.2600E-01,\n + 7.3400E-01, 7.4000E-01, 7.4600E-01, 7.5100E-01, 7.5500E-01,\n 5 7.5800E-01, 7.6100E-01, 7.6200E-01, 7.6200E-01, 7.6200E-01,\n + 7.6000E-01, 7.5800E-01, 7.5400E-01, 7.4900E-01, 7.4400E-01,\n 6 7.3700E-01, 7.2900E-01, 7.2000E-01, 7.0900E-01, 6.9800E-01,\n + 6.8500E-01, 6.7100E-01, 6.5600E-01, 6.3900E-01, 6.2200E-01,\n 7 6.0300E-01, 5.8300E-01, 5.6100E-01, 5.3900E-01, 5.1500E-01,\n + 4.8900E-01, 4.6300E-01, 4.3500E-01, 4.0600E-01, 3.7500E-01,\n 8 3.4300E-01, 3.1000E-01, 2.7600E-01, 2.4000E-01, 2.0300E-01,\n + 1.6500E-01, 1.2600E-01, 8.5000E-02, 4.3000E-02, 0.0000E+00,\n 9 0.0000E+00, 0.0000E+00, 0.0000E+00, 0.0000E+00, 0.0000E+00,\n + 0.0000E+00, 0.0000E+00, 0.0000E+00, 0.0000E+00, 0.0000E+00,\n O 0.0000E+00, 0.0000E+00, 0.0000E+00, 0.0000E+00, 0.0000E+00,\n + 0.0000E+00, 0.0000E+00, 0.0000E+00, 0.0000E+00, 0.0000E+00,\n 1 0.0000E+00, 0.0000E+00/\n\n REAL :: HCHO_QYM( N_HCHO_QY )\n DATA HCHO_QYM /\n O 4.8300E-01, 4.8900E-01, 4.9300E-01, 4.9600E-01, 4.9700E-01,\n + 4.9700E-01, 4.9500E-01, 4.9300E-01, 4.8900E-01, 4.8400E-01,\n 1 4.7800E-01, 4.7100E-01, 4.6800E-01, 4.6400E-01, 4.6000E-01,\n + 4.5400E-01, 4.4800E-01, 4.4200E-01, 4.3500E-01, 4.2700E-01,\n 2 4.2000E-01, 4.1100E-01, 4.0300E-01, 3.9400E-01, 3.8500E-01,\n + 3.7600E-01, 3.6700E-01, 3.5700E-01, 3.5800E-01, 3.4900E-01,\n 3 3.4200E-01, 3.3400E-01, 3.2700E-01, 3.2000E-01, 3.1300E-01,\n + 3.0700E-01, 3.0200E-01, 2.9600E-01, 2.9100E-01, 2.8400E-01,\n 4 2.7800E-01, 2.7200E-01, 2.6600E-01, 2.6200E-01, 2.5900E-01,\n + 2.5600E-01, 2.5500E-01, 2.5400E-01, 2.4900E-01, 2.4500E-01,\n 5 2.4200E-01, 2.3900E-01, 2.3800E-01, 2.3800E-01, 2.3800E-01,\n + 2.4000E-01, 2.4200E-01, 2.4600E-01, 2.5100E-01, 2.5600E-01,\n 6 2.6300E-01, 2.7100E-01, 2.8000E-01, 2.9100E-01, 3.0200E-01,\n + 3.1500E-01, 3.2900E-01, 3.4400E-01, 3.6100E-01, 3.7800E-01,\n 7 3.9700E-01, 4.1700E-01, 4.3900E-01, 4.6100E-01, 4.8500E-01,\n + 5.1100E-01, 5.3700E-01, 5.6500E-01, 5.9400E-01, 6.2500E-01,\n 8 6.5700E-01, 6.9000E-01, 7.1400E-01, 7.4000E-01, 7.3700E-01,\n + 7.3500E-01, 7.2400E-01, 6.9500E-01, 6.8700E-01, 6.6500E-01,\n 9 6.5000E-01, 6.2000E-01, 5.9000E-01, 5.6000E-01, 5.3000E-01,\n + 5.0000E-01, 4.8000E-01, 4.5000E-01, 4.3000E-01, 4.0000E-01,\n O 3.8000E-01, 3.5000E-01, 3.2000E-01, 2.8000E-01, 2.5000E-01,\n + 2.2000E-01, 1.8000E-01, 1.6000E-01, 1.3000E-01, 9.0000E-03,\n 1 4.0000E-03, 0.0000E+00/\n! \n! HNO3 photolysis cross-section recommended by NASA (2006) JPL publication \n! Temperature Dependendence given by formula \n! XCROSS(T) = XC*exp(B*(T-298)) \n! \n\n INTEGER, PARAMETER :: N_HNO3_XC = 80\n\n REAL :: WV_HNO3_XC( N_HNO3_XC )\n DATA WV_HNO3_XC /\n O 1.9200E+02, 1.9400E+02, 1.9600E+02, 1.9800E+02, 2.0000E+02,\n + 2.0200E+02, 2.0400E+02, 2.0600E+02, 2.0800E+02, 2.1000E+02,\n 1 2.1200E+02, 2.1400E+02, 2.1600E+02, 2.1800E+02, 2.2000E+02,\n + 2.2200E+02, 2.2400E+02, 2.2600E+02, 2.2800E+02, 2.3000E+02,\n 2 2.3200E+02, 2.3400E+02, 2.3600E+02, 2.3800E+02, 2.4000E+02,\n + 2.4200E+02, 2.4400E+02, 2.4600E+02, 2.4800E+02, 2.5000E+02,\n 3 2.5200E+02, 2.5400E+02, 2.5600E+02, 2.5800E+02, 2.6000E+02,\n + 2.6200E+02, 2.6400E+02, 2.6600E+02, 2.6800E+02, 2.7000E+02,\n 4 2.7200E+02, 2.7400E+02, 2.7600E+02, 2.7800E+02, 2.8000E+02,\n + 2.8200E+02, 2.8400E+02, 2.8600E+02, 2.8800E+02, 2.9000E+02,\n 5 2.9200E+02, 2.9400E+02, 2.9600E+02, 2.9800E+02, 3.0000E+02,\n + 3.0200E+02, 3.0400E+02, 3.0600E+02, 3.0800E+02, 3.1000E+02,\n 6 3.1200E+02, 3.1400E+02, 3.1600E+02, 3.1800E+02, 3.2000E+02,\n + 3.2200E+02, 3.2400E+02, 3.2600E+02, 3.2800E+02, 3.3000E+02,\n 7 3.3200E+02, 3.3400E+02, 3.3600E+02, 3.3800E+02, 3.4000E+02,\n + 3.4200E+02, 3.4400E+02, 3.4600E+02, 3.4800E+02, 3.5000E+02/\n\n REAL :: HNO3_XC_298K( N_HNO3_XC )\n DATA HNO3_XC_298K /\n O 1.2250E-17, 1.0950E-17, 9.4000E-18, 7.7000E-18, 5.8800E-18,\n + 4.4700E-18, 3.2800E-18, 2.3100E-18, 1.5600E-18, 1.0400E-18,\n 1 6.7500E-19, 4.3900E-19, 2.9200E-19, 2.0000E-19, 1.4900E-19,\n + 1.1800E-19, 9.6100E-20, 8.0200E-20, 6.8200E-20, 5.7500E-20,\n 2 4.8700E-20, 4.1400E-20, 3.3600E-20, 2.9300E-20, 2.5800E-20,\n + 2.3400E-20, 2.1600E-20, 2.0600E-20, 2.0000E-20, 1.9700E-20,\n 3 1.9600E-20, 1.9500E-20, 1.9500E-20, 1.9300E-20, 1.9100E-20,\n + 1.8700E-20, 1.8300E-20, 1.7700E-20, 1.7000E-20, 1.6200E-20,\n 4 1.5300E-20, 1.4400E-20, 1.3300E-20, 1.2300E-20, 1.1200E-20,\n + 1.0100E-20, 9.0900E-21, 8.0700E-21, 7.0900E-21, 6.1500E-21,\n 5 5.3200E-21, 4.5300E-21, 3.8100E-21, 3.1600E-21, 2.6300E-21,\n + 2.0800E-21, 1.6700E-21, 1.3300E-21, 1.0500E-21, 8.1400E-22,\n 6 6.2800E-22, 4.6800E-22, 3.6200E-22, 2.7100E-22, 1.9700E-22,\n + 1.5400E-22, 1.0800E-22, 8.2000E-23, 6.1300E-23, 4.3100E-23,\n 7 3.1900E-23, 2.4300E-23, 1.9600E-23, 1.4200E-23, 1.0300E-23,\n + 8.6000E-24, 6.9000E-24, 5.0000E-24, 4.2000E-24, 4.2000E-24/\n\n REAL :: HNO3_XC_B( N_HNO3_XC )\n DATA HNO3_XC_B /\n O 0.0000E+00, 0.0000E+00, 1.7000E-03, 1.6500E-03, 1.6600E-03,\n + 1.6900E-03, 1.7400E-03, 1.7700E-03, 1.8500E-03, 1.9700E-03,\n 1 2.0800E-03, 2.1700E-03, 2.1700E-03, 2.2100E-03, 2.1500E-03,\n + 2.0600E-03, 1.9600E-03, 1.8400E-03, 1.7800E-03, 1.8000E-03,\n 2 1.8600E-03, 1.9000E-03, 1.9700E-03, 1.9700E-03, 1.9700E-03,\n + 1.8800E-03, 1.7500E-03, 1.6100E-03, 1.4400E-03, 1.3400E-03,\n 3 1.2300E-03, 1.1800E-03, 1.1400E-03, 1.1200E-03, 1.1400E-03,\n + 1.1400E-03, 1.1800E-03, 1.2200E-03, 1.2500E-03, 1.4500E-03,\n 4 1.4900E-03, 1.5600E-03, 1.6400E-03, 1.6900E-03, 1.7800E-03,\n + 1.8700E-03, 1.9400E-03, 2.0400E-03, 2.1500E-03, 2.2700E-03,\n 5 2.3800E-03, 2.5200E-03, 2.7000E-03, 2.9200E-03, 3.1000E-03,\n + 3.2400E-03, 3.5200E-03, 3.7700E-03, 3.9100E-03, 4.2300E-03,\n 6 4.7000E-03, 5.1500E-03, 5.2500E-03, 5.7400E-03, 6.4500E-03,\n + 6.7000E-03, 7.1600E-03, 7.5500E-03, 8.1600E-03, 9.7500E-03,\n 7 9.9300E-03, 9.6000E-03, 1.0500E-02, 1.0800E-02, 1.1800E-02,\n + 1.1800E-02, 9.3000E-03, 1.2100E-02, 1.1900E-02, 9.3000E-03/\n\n\nC***special information for acetone\nC*** Reference:\nC IUPAC Subcommittee on Gas Kinetic Data Evaluation Data Sheet P7\nC! This datasheet updated: 19th December 2005.\nC! Website: http://www.iupac-kinetic.ch.cam.ac.uk/.\nC! IUPAC recommendations used for both absorption cross sections and quantum yields.\nC! Cross sections and quantum yields are for 298K only.\nC! Uncertain whether the cross sections are calculated correctly from the complex recommended expression.\n \n INTEGER, PARAMETER :: N_WL_ACETONE = 135\n INTEGER :: IWW\nC wavelengths in nm\n REAL WL_ACETONE( N_WL_ACETONE ) ! nm\n\n DATA ( WL_ACETONE( IWW), IWW= 1, N_WL_ACETONE ) /\n & 215.0, 216.0, 217.0, 218.0, 219.0,\n & 220.0, 221.0, 222.0, 223.0, 224.0,\n & 225.0, 226.0, 227.0, 228.0, 229.0,\n & 230.0, 231.0, 232.0, 233.0, 234.0,\n & 235.0, 236.0, 237.0, 238.0, 239.0,\n & 240.0, 241.0, 242.0, 243.0, 244.0,\n & 245.0, 246.0, 247.0, 248.0, 249.0,\n & 250.0, 251.0, 252.0, 253.0, 254.0,\n & 255.0, 256.0, 257.0, 258.0, 259.0,\n & 260.0, 261.0, 262.0, 263.0, 264.0,\n & 265.0, 266.0, 267.0, 268.0, 269.0,\n & 270.0, 271.0, 272.0, 273.0, 274.0,\n & 275.0, 276.0, 277.0, 278.0, 279.0,\n & 280.0, 281.0, 282.0, 283.0, 284.0,\n & 285.0, 286.0, 287.0, 288.0, 289.0,\n & 290.0, 291.0, 292.0, 293.0, 294.0,\n & 295.0, 296.0, 297.0, 298.0, 299.0,\n & 300.0, 301.0, 302.0, 303.0, 304.0,\n & 305.0, 306.0, 307.0, 308.0, 309.0,\n & 310.0, 311.0, 312.0, 313.0, 314.0,\n & 315.0, 316.0, 317.0, 318.0, 319.0,\n & 320.0, 321.0, 322.0, 323.0, 324.0,\n & 325.0, 326.0, 327.0, 328.0, 329.0,\n & 330.0, 331.0, 332.0, 333.0, 334.0,\n & 335.0, 336.0, 337.0, 338.0, 339.0,\n & 340.0, 341.0, 342.0, 343.0, 344.0,\n & 345.0, 346.0, 347.0, 348.0, 349.0 /\n\n REAL :: CSZ_ACETONE( N_WL_ACETONE) ! cm^2\n\nC Cross-section at 298K\n DATA ( CSZ_ACETONE( IWW), IWW= 1, N_WL_ACETONE ) /\n & 1.6700E-21, 1.8000E-21, 1.9600E-21, 2.1200E-21, 2.2800E-21,\n & 2.4600E-21, 2.7000E-21, 2.9400E-21, 3.1800E-21, 3.4600E-21,\n & 3.8000E-21, 4.1900E-21, 4.5600E-21, 4.9200E-21, 5.3500E-21,\n & 5.8400E-21, 6.3700E-21, 6.9300E-21, 7.5000E-21, 8.1500E-21,\n & 8.8500E-21, 9.5600E-21, 1.0300E-20, 1.1100E-20, 1.2100E-20,\n & 1.3000E-20, 1.4000E-20, 1.5000E-20, 1.6000E-20, 1.7200E-20,\n & 1.8300E-20, 1.9500E-20, 2.0700E-20, 2.2000E-20, 2.3300E-20,\n & 2.4700E-20, 2.6000E-20, 2.7400E-20, 2.8700E-20, 3.0100E-20,\n & 3.1500E-20, 3.3000E-20, 3.4400E-20, 3.5700E-20, 3.6900E-20,\n & 3.8100E-20, 3.9400E-20, 4.0700E-20, 4.2000E-20, 4.3200E-20,\n & 4.4100E-20, 4.4900E-20, 4.5600E-20, 4.6400E-20, 4.7200E-20,\n & 4.7900E-20, 4.8700E-20, 4.9100E-20, 4.9400E-20, 4.9400E-20,\n & 4.9400E-20, 4.9300E-20, 4.9200E-20, 4.9400E-20, 4.9200E-20,\n & 4.9100E-20, 4.8600E-20, 4.7900E-20, 4.7100E-20, 4.6200E-20,\n & 4.5400E-20, 4.4400E-20, 4.3600E-20, 4.2800E-20, 4.1500E-20,\n & 4.0600E-20, 3.9500E-20, 3.8200E-20, 3.7100E-20, 3.5700E-20,\n & 3.4200E-20, 3.2600E-20, 3.1100E-20, 2.9800E-20, 2.8200E-20,\n & 2.6700E-20, 2.5800E-20, 2.4500E-20, 2.3000E-20, 2.1800E-20,\n & 2.0500E-20, 1.8900E-20, 1.7500E-20, 1.6100E-20, 1.4900E-20,\n & 1.3600E-20, 1.2400E-20, 1.1400E-20, 1.0600E-20, 9.4400E-21,\n & 8.3700E-21, 7.6000E-21, 6.8400E-21, 5.9800E-21, 5.2300E-21,\n & 4.5500E-21, 4.1100E-21, 3.4800E-21, 2.9400E-21, 2.4800E-21,\n & 2.1000E-21, 1.7400E-21, 1.4100E-21, 1.1300E-21, 9.1300E-22,\n & 7.4000E-22, 5.8600E-22, 4.6500E-22, 3.7500E-22, 3.1100E-22,\n & 2.4800E-22, 1.9900E-22, 1.6200E-22, 1.3500E-22, 1.1300E-22,\n & 9.1200E-23, 7.2900E-23, 5.8300E-23, 4.9400E-23, 3.6500E-23,\n & 3.0100E-23, 2.3500E-23, 1.5800E-23, 1.1100E-23, 1.0700E-23 /\n\n REAL A_ACETONE( N_WL_ACETONE ) ! (deg K)^-1\n\nC A Coefficient\n DATA ( A_ACETONE( IWW), IWW= 1, N_WL_ACETONE ) /\n & -1.0460E-02,-9.1920E-03,-6.2330E-03,-3.1900E-03,-1.0020E-03,\n & 4.1040E-04, 1.5670E-03, 2.9620E-03, 4.8390E-03, 6.9400E-03,\n & 8.5980E-03, 9.3800E-03, 9.5510E-03, 9.7050E-03, 1.0080E-02,\n & 1.0410E-02, 1.0390E-02, 1.0010E-02, 9.5340E-03, 9.1380E-03,\n & 8.8510E-03, 8.6380E-03, 8.4710E-03, 8.3180E-03, 8.1250E-03,\n & 7.8610E-03, 7.5540E-03, 7.2680E-03, 7.0350E-03, 6.8380E-03,\n & 6.6490E-03, 6.4720E-03, 6.3260E-03, 6.2100E-03, 6.0990E-03,\n & 5.9720E-03, 5.8320E-03, 5.6970E-03, 5.5810E-03, 5.4830E-03,\n & 5.3850E-03, 5.2610E-03, 5.1010E-03, 4.9320E-03, 4.8020E-03,\n & 4.7460E-03, 4.7440E-03, 4.7340E-03, 4.6510E-03, 4.4820E-03,\n & 4.2710E-03, 4.0870E-03, 3.9830E-03, 3.9690E-03, 4.0090E-03,\n & 4.0250E-03, 3.9350E-03, 3.7040E-03, 3.3780E-03, 3.0610E-03,\n & 2.8540E-03, 2.7900E-03, 2.8160E-03, 2.8200E-03, 2.6920E-03,\n & 2.3890E-03, 1.9630E-03, 1.5170E-03, 1.1370E-03, 8.5300E-04,\n & 6.5180E-04, 4.9070E-04, 3.1900E-04, 1.1090E-04,-1.2300E-04,\n & -3.6980E-04,-6.4300E-04,-9.6250E-04,-1.3160E-03,-1.6500E-03,\n & -1.9050E-03,-2.0840E-03,-2.2340E-03,-2.3910E-03,-2.5900E-03,\n & -2.9150E-03,-3.4210E-03,-4.0080E-03,-4.5080E-03,-4.8580E-03,\n & -5.1200E-03,-5.4330E-03,-6.0100E-03,-6.9860E-03,-8.1350E-03,\n & -8.8970E-03,-8.9230E-03,-8.4940E-03,-8.2280E-03,-8.4450E-03,\n & -8.9660E-03,-9.4090E-03,-9.5840E-03,-9.7360E-03,-1.0390E-02,\n & -1.1800E-02,-1.3480E-02,-1.4590E-02,-1.4980E-02,-1.5390E-02,\n & -1.6280E-02,-1.7090E-02,-1.7210E-02,-1.6920E-02,-1.6660E-02,\n & -1.5940E-02,-1.3930E-02,-1.0930E-02,-8.1860E-03,-6.5300E-03,\n & -5.6920E-03,-4.6560E-03,-2.0900E-03, 3.1130E-03, 1.1010E-02,\n & 2.0020E-02, 2.7200E-02, 2.9630E-02, 2.5970E-02, 1.6350E-02,\n & 3.7740E-03,-2.4140E-03, 7.8800E-03, 2.9520E-02, 4.1030E-02 /\n\n REAL B_ACETONE( N_WL_ACETONE ) ! (deg K)^-2\nC B Coefficient\n DATA ( B_ACETONE( IWW), IWW= 1, N_WL_ACETONE ) /\n & 8.3460E-05, 7.3570E-05, 5.0390E-05, 2.6510E-05, 9.3140E-06,\n & -1.8070E-06,-1.0900E-05,-2.1830E-05,-3.6510E-05,-5.2930E-05,\n & -6.5880E-05,-7.2000E-05,-7.3360E-05,-7.4620E-05,-7.7610E-05,\n & -8.0230E-05,-8.0020E-05,-7.7070E-05,-7.3320E-05,-7.0220E-05,\n & -6.7990E-05,-6.6340E-05,-6.5040E-05,-6.3850E-05,-6.2350E-05,\n & -6.0310E-05,-5.7930E-05,-5.5710E-05,-5.3900E-05,-5.2370E-05,\n & -5.0930E-05,-4.9600E-05,-4.8500E-05,-4.7630E-05,-4.6800E-05,\n & -4.5870E-05,-4.4860E-05,-4.3890E-05,-4.3060E-05,-4.2350E-05,\n & -4.1640E-05,-4.0750E-05,-3.9610E-05,-3.8430E-05,-3.7560E-05,\n & -3.7230E-05,-3.7300E-05,-3.7290E-05,-3.6740E-05,-3.5590E-05,\n & -3.4160E-05,-3.2960E-05,-3.2340E-05,-3.2350E-05,-3.2730E-05,\n & -3.2940E-05,-3.2400E-05,-3.0850E-05,-2.8610E-05,-2.6450E-05,\n & -2.5080E-05,-2.4740E-05,-2.5050E-05,-2.5180E-05,-2.4330E-05,\n & -2.2220E-05,-1.9220E-05,-1.6120E-05,-1.3500E-05,-1.1580E-05,\n & -1.0230E-05,-9.1540E-06,-7.9920E-06,-6.5860E-06,-5.0360E-06,\n & -3.4260E-06,-1.6150E-06, 5.7960E-07, 3.0600E-06, 5.3500E-06,\n & 6.9900E-06, 7.9600E-06, 8.6700E-06, 9.4200E-06, 1.0550E-05,\n & 1.2770E-05, 1.6490E-05, 2.0910E-05, 2.4650E-05, 2.7150E-05,\n & 2.8800E-05, 3.0620E-05, 3.4290E-05, 4.0960E-05, 4.8990E-05,\n & 5.4150E-05, 5.3780E-05, 5.0010E-05, 4.7540E-05, 4.8810E-05,\n & 5.2400E-05, 5.5280E-05, 5.5880E-05, 5.5960E-05, 5.9580E-05,\n & 6.8690E-05, 7.9620E-05, 8.6000E-05, 8.6700E-05, 8.7430E-05,\n & 9.1870E-05, 9.5880E-05, 9.4710E-05, 9.0480E-05, 8.6720E-05,\n & 7.9790E-05, 6.3400E-05, 3.9690E-05, 1.8470E-05, 6.2890E-06,\n & 1.0220E-06,-5.3820E-06,-2.3550E-05,-6.2370E-05,-1.2260E-04,\n & -1.9220E-04,-2.4830E-04,-2.6800E-04,-2.4040E-04,-1.6630E-04,\n & -6.8580E-05,-1.9870E-05,-9.8880E-05,-2.6610E-04,-3.5510E-04 /\n\nC C Coefficient\n REAL C_ACETONE( N_WL_ACETONE ) ! (deg K)^-2\n\n DATA ( C_ACETONE( IWW), IWW= 1, N_WL_ACETONE ) /\n & -1.6430E-07,-1.4510E-07,-1.0010E-07,-5.3590E-08,-2.0030E-08,\n & 1.6790E-09, 1.9360E-08, 4.0580E-08, 6.9090E-08, 1.0090E-07,\n & 1.2600E-07, 1.3790E-07, 1.4060E-07, 1.4310E-07, 1.4890E-07,\n & 1.5410E-07, 1.5360E-07, 1.4790E-07, 1.4060E-07, 1.3460E-07,\n & 1.3020E-07, 1.2700E-07, 1.2450E-07, 1.2220E-07, 1.1930E-07,\n & 1.1530E-07, 1.1070E-07, 1.0640E-07, 1.0290E-07, 9.9940E-08,\n & 9.7180E-08, 9.4640E-08, 9.2560E-08, 9.0910E-08, 8.9360E-08,\n & 8.7630E-08, 8.5760E-08, 8.3990E-08, 8.2490E-08, 8.1200E-08,\n & 7.9890E-08, 7.8250E-08, 7.6200E-08, 7.4100E-08, 7.2620E-08,\n & 7.2150E-08, 7.2390E-08, 7.2460E-08, 7.1550E-08, 6.9560E-08,\n & 6.7120E-08, 6.5130E-08, 6.4200E-08, 6.4400E-08, 6.5240E-08,\n & 6.5770E-08, 6.4940E-08, 6.2310E-08, 5.8450E-08, 5.4730E-08,\n & 5.2430E-08, 5.2010E-08, 5.2760E-08, 5.3160E-08, 5.1750E-08,\n & 4.8030E-08, 4.2720E-08, 3.7260E-08, 3.2720E-08, 2.9430E-08,\n & 2.7140E-08, 2.5310E-08, 2.3320E-08, 2.0920E-08, 1.8330E-08,\n & 1.5680E-08, 1.2650E-08, 8.8470E-09, 4.4720E-09, 4.7700E-10,\n & -2.1680E-09,-3.4300E-09,-4.0860E-09,-4.8240E-09,-6.3870E-09,\n & -1.0200E-08,-1.7090E-08,-2.5430E-08,-3.2480E-08,-3.6990E-08,\n & -3.9590E-08,-4.2190E-08,-4.8050E-08,-5.9540E-08,-7.3700E-08,\n & -8.2550E-08,-8.0970E-08,-7.3050E-08,-6.7720E-08,-6.9590E-08,\n & -7.5920E-08,-8.0760E-08,-8.0850E-08,-7.9460E-08,-8.4330E-08,\n & -9.9330E-08,-1.1750E-07,-1.2670E-07,-1.2470E-07,-1.2270E-07,\n & -1.2770E-07,-1.3210E-07,-1.2680E-07,-1.1580E-07,-1.0620E-07,\n & -9.0990E-08,-5.8290E-08,-1.2140E-08, 2.8400E-08, 5.0670E-08,\n & 5.8800E-08, 6.8600E-08, 1.0090E-07, 1.7330E-07, 2.8770E-07,\n & 4.2150E-07, 5.3030E-07, 5.6960E-07, 5.1780E-07, 3.7550E-07,\n & 1.8720E-07, 9.3040E-08, 2.4530E-07, 5.6780E-07, 7.3950E-07 /\n\n!NASA JPL (2006) recommendations for\n!NO_CHANNEL:NO3->NO\n!NO2_CHANNEL:NO3->NO2\n! NASA 2006 recommendation for NO3 cross-section\n! at 298 K\n INTEGER, PARAMETER :: N_NO3_06 = 289\n\n REAL WV_NO3_06( N_NO3_06 ) ! Wavelength\n DATA WV_NO3_06 / ! (nm)\n & 403.0, 404.0, 405.0, 406.0, 407.0, \n & 408.0, 409.0, 410.0, 411.0, 412.0, \n & 413.0, 414.0, 415.0, 416.0, 417.0, \n & 418.0, 419.0, 420.0, 421.0, 422.0, \n & 423.0, 424.0, 425.0, 426.0, 427.0, \n & 428.0, 429.0, 430.0, 431.0, 432.0, \n & 433.0, 434.0, 435.0, 436.0, 437.0, \n & 438.0, 439.0, 440.0, 441.0, 442.0, \n & 443.0, 444.0, 445.0, 446.0, 447.0, \n & 448.0, 449.0, 450.0, 451.0, 452.0, \n & 453.0, 454.0, 455.0, 456.0, 457.0, \n & 458.0, 459.0, 460.0, 461.0, 462.0, \n & 463.0, 464.0, 465.0, 466.0, 467.0, \n & 468.0, 469.0, 470.0, 471.0, 472.0, \n & 473.0, 474.0, 475.0, 476.0, 477.0, \n & 478.0, 479.0, 480.0, 481.0, 482.0, \n & 483.0, 484.0, 485.0, 486.0, 487.0, \n & 488.0, 489.0, 490.0, 491.0, 492.0, \n & 493.0, 494.0, 495.0, 496.0, 497.0, \n & 498.0, 499.0, 500.0, 501.0, 502.0, \n & 503.0, 504.0, 505.0, 506.0, 507.0, \n & 508.0, 509.0, 510.0, 511.0, 512.0, \n & 513.0, 514.0, 515.0, 516.0, 517.0, \n & 518.0, 519.0, 520.0, 521.0, 522.0, \n & 523.0, 524.0, 525.0, 526.0, 527.0, \n & 528.0, 529.0, 530.0, 531.0, 532.0, \n & 533.0, 534.0, 535.0, 536.0, 537.0, \n & 538.0, 539.0, 540.0, 541.0, 542.0, \n & 543.0, 544.0, 545.0, 546.0, 547.0, \n & 548.0, 549.0, 550.0, 551.0, 552.0, \n & 553.0, 554.0, 555.0, 556.0, 557.0, \n & 558.0, 559.0, 560.0, 561.0, 562.0, \n & 563.0, 564.0, 565.0, 566.0, 567.0, \n & 568.0, 569.0, 570.0, 571.0, 572.0, \n & 573.0, 574.0, 575.0, 576.0, 577.0, \n & 578.0, 579.0, 580.0, 581.0, 582.0, \n & 583.0, 584.0, 585.0, 586.0, 587.0, \n & 588.0, 589.0, 590.0, 591.0, 592.0, \n & 593.0, 594.0, 595.0, 596.0, 597.0, \n & 598.0, 599.0, 600.0, 601.0, 602.0, \n & 603.0, 604.0, 605.0, 606.0, 607.0, \n & 608.0, 609.0, 610.0, 611.0, 612.0, \n & 613.0, 614.0, 615.0, 616.0, 617.0, \n & 618.0, 619.0, 620.0, 621.0, 622.0, \n & 623.0, 624.0, 625.0, 626.0, 627.0, \n & 628.0, 629.0, 630.0, 631.0, 632.0, \n & 633.0, 634.0, 635.0, 636.0, 637.0, \n & 638.0, 639.0, 640.0, 641.0, 642.0, \n & 643.0, 644.0, 645.0, 646.0, 647.0, \n & 648.0, 649.0, 650.0, 651.0, 652.0, \n & 653.0, 654.0, 655.0, 656.0, 657.0, \n & 658.0, 659.0, 660.0, 661.0, 662.0, \n & 663.0, 664.0, 665.0, 666.0, 667.0, \n & 668.0, 669.0, 670.0, 671.0, 672.0, \n & 673.0, 674.0, 675.0, 676.0, 677.0, \n & 678.0, 679.0, 680.0, 681.0, 682.0, \n & 683.0, 684.0, 685.0, 686.0, 687.0, \n & 688.0, 689.0, 690.0, 691.0 /\n\n\n REAL XC_NO3_06( N_NO3_06 ) ! Photolysis Cross-Section\n DATA XC_NO3_06 / ! (cm2)\n & 2.0000E-20, 0.0000E+00, 3.0000E-20, 2.0000E-20, 1.0000E-20, \n & 3.0000E-20, 0.0000E+00, 1.0000E-20, 2.0000E-20, 5.0000E-20, \n & 5.0000E-20, 2.0000E-20, 6.0000E-20, 7.0000E-20, 8.0000E-20, \n & 5.0000E-20, 9.0000E-20, 9.0000E-20, 9.0000E-20, 1.0000E-19, \n & 1.2000E-19, 1.0000E-19, 8.0000E-20, 1.5000E-19, 1.5000E-19, \n & 1.3000E-19, 1.2000E-19, 1.8000E-19, 1.4000E-19, 1.6000E-19, \n & 1.9000E-19, 2.0000E-19, 1.7000E-19, 1.6000E-19, 2.0000E-19, \n & 2.3000E-19, 2.2000E-19, 2.1000E-19, 2.0000E-19, 2.3000E-19, \n & 1.9000E-19, 2.1000E-19, 2.2000E-19, 2.6000E-19, 3.1000E-19, \n & 2.6000E-19, 3.0000E-19, 3.1000E-19, 3.3000E-19, 3.6000E-19, \n & 3.4000E-19, 3.8000E-19, 3.8000E-19, 3.8000E-19, 4.2000E-19, \n & 3.9000E-19, 4.5000E-19, 4.2000E-19, 4.1000E-19, 4.2000E-19, \n & 4.3000E-19, 5.1000E-19, 5.4000E-19, 5.8000E-19, 6.1000E-19, \n & 6.0000E-19, 6.2000E-19, 6.3000E-19, 6.6000E-19, 6.9000E-19, \n & 6.6000E-19, 6.6000E-19, 7.3000E-19, 8.4000E-19, 8.3000E-19, \n & 7.8000E-19, 7.8000E-19, 7.5000E-19, 7.6000E-19, 7.6000E-19, \n & 7.7000E-19, 8.3000E-19, 8.8000E-19, 9.8000E-19, 9.9000E-19, \n & 1.0200E-18, 1.0300E-18, 1.1100E-18, 1.0600E-18, 1.0700E-18, \n & 1.0900E-18, 1.0900E-18, 1.1300E-18, 1.2900E-18, 1.3000E-18, \n & 1.2800E-18, 1.2500E-18, 1.2100E-18, 1.1800E-18, 1.1800E-18, \n & 1.1900E-18, 1.3500E-18, 1.3700E-18, 1.4300E-18, 1.3700E-18, \n & 1.3600E-18, 1.4500E-18, 1.6200E-18, 1.8600E-18, 1.8900E-18, \n & 1.7200E-18, 1.6900E-18, 1.7000E-18, 1.6700E-18, 1.6000E-18, \n & 1.5400E-18, 1.6500E-18, 1.8000E-18, 1.9600E-18, 2.0600E-18, \n & 1.8900E-18, 1.7600E-18, 1.6900E-18, 1.7500E-18, 1.9300E-18, \n & 2.2500E-18, 2.5700E-18, 2.3900E-18, 2.2400E-18, 2.1600E-18, \n & 2.0900E-18, 2.1800E-18, 2.4700E-18, 2.7500E-18, 2.7600E-18, \n & 2.5100E-18, 2.1900E-18, 2.2500E-18, 2.1900E-18, 2.0100E-18, \n & 1.8000E-18, 1.8300E-18, 2.1000E-18, 2.6000E-18, 3.1200E-18, \n & 3.2000E-18, 2.9000E-18, 2.6500E-18, 2.6100E-18, 2.6400E-18, \n & 2.7100E-18, 2.9800E-18, 3.3400E-18, 3.4900E-18, 3.5200E-18, \n & 3.7600E-18, 3.9900E-18, 3.5500E-18, 3.2000E-18, 3.1100E-18, \n & 3.0000E-18, 2.9100E-18, 2.9200E-18, 3.0500E-18, 3.0100E-18, \n & 3.0500E-18, 3.1000E-18, 2.9900E-18, 2.9600E-18, 2.9400E-18, \n & 2.9800E-18, 3.0600E-18, 3.3000E-18, 3.5000E-18, 3.6200E-18, \n & 3.5400E-18, 3.4700E-18, 3.5800E-18, 3.8000E-18, 3.5100E-18, \n & 3.1400E-18, 3.0200E-18, 3.1000E-18, 3.5500E-18, 4.4600E-18, \n & 5.4000E-18, 6.5600E-18, 6.3800E-18, 5.8300E-18, 5.4800E-18, \n & 4.9000E-18, 4.4900E-18, 4.6000E-18, 4.9500E-18, 4.6700E-18, \n & 3.9300E-18, 3.3300E-18, 2.9600E-18, 3.0700E-18, 3.5500E-18, \n & 4.0800E-18, 4.6800E-18, 4.6700E-18, 3.5500E-18, 2.5800E-18, \n & 1.9800E-18, 1.8400E-18, 1.8900E-18, 2.0400E-18, 2.3900E-18, \n & 2.8200E-18, 2.7300E-18, 2.4200E-18, 2.2400E-18, 2.2600E-18, \n & 2.5600E-18, 2.7400E-18, 3.5000E-18, 5.6200E-18, 1.0900E-17, \n & 1.5780E-17, 1.2910E-17, 8.9800E-18, 7.8300E-18, 8.0600E-18, \n & 7.8900E-18, 7.4800E-18, 7.2400E-18, 5.1800E-18, 3.5000E-18, \n & 2.3300E-18, 1.7600E-18, 1.5400E-18, 1.8100E-18, 2.2200E-18, \n & 2.1700E-18, 1.6900E-18, 1.3200E-18, 1.0800E-18, 9.9000E-19, \n & 1.0400E-18, 1.0200E-18, 9.2000E-19, 8.0000E-19, 7.5000E-19, \n & 6.6000E-19, 5.8000E-19, 5.3000E-19, 5.9000E-19, 6.5000E-19, \n & 7.6000E-19, 8.8000E-19, 1.0500E-18, 1.4200E-18, 1.8400E-18, \n & 2.6000E-18, 4.3600E-18, 7.9800E-18, 1.5510E-17, 2.2500E-17, \n & 1.8690E-17, 1.2100E-17, 7.9400E-18, 5.3200E-18, 3.2600E-18, \n & 2.0300E-18, 1.3400E-18, 1.0200E-18, 8.5000E-19, 8.1000E-19, \n & 6.9000E-19, 5.5000E-19, 5.1000E-19, 5.2000E-19, 6.3000E-19, \n & 8.0000E-19, 8.4000E-19, 7.4000E-19, 5.7000E-19, 4.2000E-19, \n & 3.3000E-19, 2.8000E-19, 1.9000E-19, 1.7000E-19, 1.3000E-19, \n & 1.3000E-19, 1.3000E-19, 1.1000E-19, 8.0000E-20 /\n\n! Channel Quantum yields measured over three temperatures\n\n INTEGER, PARAMETER :: N_NO3_QY = 57\n\n REAL :: WV_NO3_QY( N_NO3_QY )\n DATA WV_NO3_QY /\n O 4.0300E+02, 5.8500E+02, 5.8600E+02, 5.8700E+02, 5.8800E+02,\n + 5.8900E+02, 5.9000E+02, 5.9100E+02, 5.9200E+02, 5.9300E+02,\n 1 5.9400E+02, 5.9500E+02, 5.9600E+02, 5.9700E+02, 5.9800E+02,\n + 5.9900E+02, 6.0000E+02, 6.0100E+02, 6.0200E+02, 6.0300E+02,\n 2 6.0400E+02, 6.0500E+02, 6.0600E+02, 6.0700E+02, 6.0800E+02,\n + 6.0900E+02, 6.1000E+02, 6.1100E+02, 6.1200E+02, 6.1300E+02,\n 3 6.1400E+02, 6.1500E+02, 6.1600E+02, 6.1700E+02, 6.1800E+02,\n + 6.1900E+02, 6.2000E+02, 6.2100E+02, 6.2200E+02, 6.2300E+02,\n 4 6.2400E+02, 6.2500E+02, 6.2600E+02, 6.2700E+02, 6.2800E+02,\n + 6.2900E+02, 6.3000E+02, 6.3100E+02, 6.3200E+02, 6.3300E+02,\n 5 6.3400E+02, 6.3500E+02, 6.3600E+02, 6.3700E+02, 6.3800E+02,\n + 6.3900E+02, 6.4000E+02/\n\n REAL :: NO3NO_QY_298K( N_NO3_QY )\n DATA NO3NO_QY_298K /\n O 0.0000E+00, 0.0000E+00, 1.5200E+01, 3.9100E+01, 9.7100E+01,\n + 1.2800E+02, 1.9000E+02, 2.2000E+02, 2.4900E+02, 3.0300E+02,\n 1 3.2800E+02, 3.5900E+02, 3.5700E+02, 3.1800E+02, 3.2300E+02,\n + 3.1400E+02, 2.9100E+02, 2.9600E+02, 2.9100E+02, 2.8300E+02,\n 2 2.8000E+02, 2.6400E+02, 2.7100E+02, 2.6800E+02, 2.5000E+02,\n + 2.4800E+02, 2.3600E+02, 2.0500E+02, 2.0000E+02, 1.9000E+02,\n 3 1.6600E+02, 1.6600E+02, 1.6000E+02, 1.4100E+02, 1.4300E+02,\n + 1.3900E+02, 1.3100E+02, 1.2700E+02, 1.2200E+02, 1.1700E+02,\n 4 1.0600E+02, 9.8500E+01, 9.2300E+01, 8.4800E+01, 7.3900E+01,\n + 6.9900E+01, 6.4900E+01, 5.7800E+01, 5.0800E+01, 4.6600E+01,\n 5 4.2600E+01, 3.7300E+01, 3.2300E+01, 2.9400E+01, 2.6600E+01,\n + 2.3500E+01, 2.0300E+01/\n\n REAL :: NO3NO2_QY_298K( N_NO3_QY )\n DATA NO3NO2_QY_298K /\n O 9.8300E+02, 9.8300E+02, 9.6700E+02, 9.4300E+02, 8.8500E+02,\n + 8.5400E+02, 7.9300E+02, 7.6300E+02, 7.3400E+02, 6.8000E+02,\n 1 6.5400E+02, 6.0800E+02, 5.8700E+02, 5.6700E+02, 5.3100E+02,\n + 5.0900E+02, 4.7200E+02, 4.3800E+02, 4.1500E+02, 3.7100E+02,\n 2 3.5100E+02, 3.2300E+02, 2.9600E+02, 2.8000E+02, 2.5900E+02,\n + 2.3800E+02, 2.2600E+02, 2.1000E+02, 1.9300E+02, 1.8100E+02,\n 3 1.6600E+02, 1.4700E+02, 1.3700E+02, 1.2400E+02, 1.0800E+02,\n + 9.9300E+01, 8.9700E+01, 7.6900E+01, 7.0400E+01, 6.4300E+01,\n 4 5.5200E+01, 4.8700E+01, 4.4200E+01, 3.9300E+01, 3.3900E+01,\n + 2.9400E+01, 2.6400E+01, 2.3600E+01, 1.9500E+01, 1.7700E+01,\n 5 1.6100E+01, 1.4600E+01, 1.1900E+01, 1.0700E+01, 9.5700E+00,\n + 8.5600E+00, 7.1500E+00/\n\n REAL :: NO3NO_QY_230K( N_NO3_QY )\n DATA NO3NO_QY_230K /\n O 0.0000E+00, 0.0000E+00, 2.6400E+01, 6.6700E+01, 1.6100E+02,\n + 2.0900E+02, 3.0000E+02, 3.4300E+02, 3.8300E+02, 4.5500E+02,\n 1 4.8700E+02, 5.1700E+02, 5.0100E+02, 4.3000E+02, 4.2100E+02,\n + 3.9600E+02, 3.4600E+02, 3.3800E+02, 3.2200E+02, 2.9400E+02,\n 2 2.8200E+02, 2.5300E+02, 2.5100E+02, 2.4300E+02, 2.1700E+02,\n + 2.0800E+02, 1.9300E+02, 1.5900E+02, 1.5000E+02, 1.3800E+02,\n 3 1.1400E+02, 1.1000E+02, 1.0200E+02, 8.5500E+01, 8.3500E+01,\n + 7.8400E+01, 7.1500E+01, 6.6000E+01, 6.1900E+01, 5.7600E+01,\n 4 4.9600E+01, 4.4500E+01, 4.0600E+01, 3.6000E+01, 2.9900E+01,\n + 2.7400E+01, 2.4700E+01, 2.1300E+01, 1.7800E+01, 1.5900E+01,\n 5 1.4200E+01, 1.2000E+01, 9.8600E+00, 8.7000E+00, 7.6600E+00,\n + 6.5300E+00, 5.3800E+00/\n\n REAL :: NO3NO2_QY_230K( N_NO3_QY )\n DATA NO3NO2_QY_230K /\n O 9.9600E+02, 9.9600E+02, 9.7000E+02, 9.3000E+02, 8.3600E+02,\n + 7.8800E+02, 6.9600E+02, 6.5300E+02, 6.1400E+02, 5.4200E+02,\n 1 5.1000E+02, 4.5300E+02, 4.2900E+02, 4.0600E+02, 3.6700E+02,\n + 3.4500E+02, 3.0700E+02, 2.7500E+02, 2.5400E+02, 2.1500E+02,\n 2 1.9800E+02, 1.7600E+02, 1.5500E+02, 1.4300E+02, 1.2800E+02,\n + 1.1300E+02, 1.0500E+02, 9.4700E+01, 8.4000E+01, 7.7300E+01,\n 3 6.8400E+01, 5.8300E+01, 5.2700E+01, 4.6500E+01, 3.8600E+01,\n + 3.4600E+01, 3.0300E+01, 2.4800E+01, 2.2100E+01, 1.9700E+01,\n 4 1.6200E+01, 1.3800E+01, 1.2200E+01, 1.0500E+01, 8.6700E+00,\n + 7.2300E+00, 6.2900E+00, 5.4500E+00, 4.2900E+00, 3.8000E+00,\n 5 3.3600E+00, 2.9700E+00, 2.3000E+00, 2.0200E+00, 1.7700E+00,\n + 1.5400E+00, 1.2400E+00/\n\n REAL :: NO3NO_QY_190K( N_NO3_QY )\n DATA NO3NO_QY_190K /\n O 0.0000E+00, 0.0000E+00, 3.7900E+01, 9.4400E+01, 2.2100E+02,\n + 2.8300E+02, 3.9700E+02, 4.4800E+02, 4.9500E+02, 5.7500E+02,\n 1 6.1000E+02, 6.3000E+02, 5.9800E+02, 4.9300E+02, 4.6800E+02,\n + 4.2900E+02, 3.5500E+02, 3.3500E+02, 3.1000E+02, 2.6700E+02,\n 2 2.4900E+02, 2.1300E+02, 2.0500E+02, 1.9400E+02, 1.6700E+02,\n + 1.5500E+02, 1.4000E+02, 1.1100E+02, 1.0100E+02, 9.0600E+01,\n 3 7.1200E+01, 6.6100E+01, 5.9700E+01, 4.7500E+01, 4.4800E+01,\n + 4.0900E+01, 3.6000E+01, 3.2000E+01, 2.9200E+01, 2.6500E+01,\n 4 2.1900E+01, 1.9000E+01, 1.6800E+01, 1.4500E+01, 1.1500E+01,\n + 1.0200E+01, 9.0100E+00, 7.5200E+00, 6.0200E+00, 5.2300E+00,\n 5 4.5400E+00, 3.7300E+00, 2.9300E+00, 2.5200E+00, 2.1600E+00,\n + 1.7800E+00, 1.4100E+00/\n\n REAL :: NO3NO2_QY_190K( N_NO3_QY )\n DATA NO3NO2_QY_190K /\n O 9.9900E+02, 9.9900E+02, 9.6100E+02, 9.0500E+02, 7.7900E+02,\n + 7.1600E+02, 6.0200E+02, 5.5100E+02, 5.0500E+02, 4.2400E+02,\n 1 3.9000E+02, 3.3200E+02, 3.0700E+02, 2.8500E+02, 2.4900E+02,\n + 2.2900E+02, 1.9600E+02, 1.7000E+02, 1.5300E+02, 1.2300E+02,\n 2 1.1100E+02, 9.4400E+01, 8.0000E+01, 7.1900E+01, 6.2100E+01,\n + 5.3000E+01, 4.8100E+01, 4.2200E+01, 3.6200E+01, 3.2600E+01,\n 3 2.8000E+01, 2.2900E+01, 2.0200E+01, 1.7300E+01, 1.3800E+01,\n + 1.2100E+01, 1.0200E+01, 8.0300E+00, 6.9900E+00, 6.0700E+00,\n 4 4.8000E+00, 3.9400E+00, 3.3900E+00, 2.8300E+00, 2.2600E+00,\n + 1.8100E+00, 1.5300E+00, 1.2900E+00, 9.6900E-01, 8.3800E-01,\n 5 7.2400E-01, 6.2400E-01, 4.6200E-01, 3.9600E-01, 3.3800E-01,\n + 2.8800E-01, 2.2400E-01/\n\n! XC(T)=XC_298K*exp(slope*(1/TEMP-1/298))\n! IUPAC (2005) and NASA JPL (2006) recommendations\n\n INTEGER, PARAMETER :: N_N2O5_XC = 89\n\n REAL :: WV_N2O5_XC( N_N2O5_XC )\n DATA WV_N2O5_XC /\n O 2.1000E+02, 2.1500E+02, 2.2000E+02, 2.2500E+02, 2.3000E+02,\n + 2.3500E+02, 2.4000E+02, 2.4500E+02, 2.5000E+02, 2.5500E+02,\n 1 2.6000E+02, 2.6500E+02, 2.7000E+02, 2.7500E+02, 2.8000E+02,\n + 2.8500E+02, 2.9000E+02, 2.9500E+02, 3.0000E+02, 3.0500E+02,\n 2 3.1000E+02, 3.1500E+02, 3.2000E+02, 3.2500E+02, 3.3000E+02,\n + 3.3500E+02, 3.4000E+02, 3.4500E+02, 3.5000E+02, 3.5500E+02,\n 3 3.6000E+02, 3.6500E+02, 3.7000E+02, 3.7500E+02, 3.8000E+02,\n + 3.8500E+02, 3.9000E+02, 3.9500E+02, 4.0000E+02, 4.0500E+02,\n 4 4.1000E+02, 4.2500E+02, 4.3000E+02, 4.3500E+02, 4.4000E+02,\n + 4.4500E+02, 4.5000E+02, 4.5500E+02, 4.6000E+02, 4.6500E+02,\n 5 4.7000E+02, 4.7500E+02, 4.8000E+02, 4.8500E+02, 4.9000E+02,\n + 4.9500E+02, 5.0000E+02, 5.0500E+02, 5.1000E+02, 5.1500E+02,\n 6 5.2000E+02, 5.2500E+02, 5.3000E+02, 5.3500E+02, 5.4000E+02,\n + 5.4500E+02, 5.5000E+02, 5.5500E+02, 5.6000E+02, 5.6500E+02,\n 7 5.7000E+02, 5.7500E+02, 5.8000E+02, 5.8500E+02, 5.9000E+02,\n + 5.9500E+02, 6.0000E+02, 6.0500E+02, 6.1000E+02, 6.1500E+02,\n 8 6.2000E+02, 6.2500E+02, 6.3000E+02, 6.3500E+02, 6.4000E+02,\n + 6.4500E+02, 6.5000E+02, 6.5500E+02, 6.6000E+02/\n\n REAL :: N2O5_XC_298K( N_N2O5_XC )\n DATA N2O5_XC_298K /\n O 4.7000E-18, 3.1600E-18, 1.9300E-18, 1.2800E-18, 9.1000E-19,\n + 7.3000E-19, 6.0000E-19, 5.1000E-19, 4.0000E-19, 3.2000E-19,\n 1 2.5900E-19, 2.0400E-19, 1.6400E-19, 1.3200E-19, 1.1100E-19,\n + 8.5900E-20, 6.7100E-20, 5.1100E-20, 3.8700E-20, 2.9100E-20,\n 2 2.1700E-20, 1.6200E-20, 1.2100E-20, 8.9000E-21, 6.7000E-21,\n + 5.0000E-21, 3.8000E-21, 2.7900E-21, 2.1500E-21, 1.6400E-21,\n 3 1.2400E-21, 9.1000E-22, 7.2000E-22, 5.3000E-22, 4.1000E-22,\n + 3.2000E-22, 2.2800E-22, 1.7100E-22, 1.3800E-22, 1.0300E-22,\n 4 8.0000E-23, 5.6000E-19, 5.3700E-19, 5.5500E-19, 4.7500E-19,\n + 4.7900E-19, 4.9300E-19, 4.0600E-19, 4.3500E-19, 4.1500E-19,\n 5 3.2700E-19, 3.8800E-19, 3.3400E-19, 2.4000E-19, 3.0900E-19,\n + 2.9400E-19, 1.6700E-19, 2.4400E-19, 2.2800E-19, 1.4800E-19,\n 6 1.7700E-19, 1.7500E-19, 1.4900E-19, 9.7100E-20, 1.0300E-19,\n + 1.2600E-19, 1.0400E-19, 7.4000E-20, 5.5600E-20, 8.6200E-20,\n 7 8.2500E-20, 4.1200E-20, 4.1100E-20, 4.6000E-20, 5.1400E-20,\n + 3.8200E-20, 3.7100E-20, 1.5600E-20, 2.3800E-20, 3.4700E-20,\n 8 2.3900E-20, 1.7700E-20, 1.0000E-20, 1.2300E-20, 1.4800E-20,\n + 1.8600E-20, 1.2400E-20, 7.5500E-21, 5.0800E-21/\n\n REAL :: N2O5_XC_EXP( N_N2O5_XC )\n DATA N2O5_XC_EXP /\n O 0.0000E+00, 0.0000E+00, 0.0000E+00, 0.0000E+00, 0.0000E+00,\n + 0.0000E+00, 0.0000E+00, 0.0000E+00, 0.0000E+00, 0.0000E+00,\n 1 -2.0954E-01,-2.3026E-01,-2.3947E-01,-2.5789E-01,-2.5789E-01,\n + -2.9013E-01,-3.1085E-01,-3.4999E-01,-3.9144E-01,-4.4670E-01,\n 2 -5.2038E-01,-5.8255E-01,-6.7696E-01,-7.7827E-01,-8.9340E-01,\n + -9.4176E-01,-1.1329E+00,-1.2204E+00,-1.3424E+00,-1.6556E+00,\n 3 -1.7730E+00,-1.8444E+00,-2.0378E+00,-1.7615E+00,-2.2842E+00,\n + -2.2842E+00,-2.1852E+00,-1.9457E+00,-2.2243E+00,-2.3026E+00,\n 4 -2.6710E+00, 1.3125E+02, 1.2526E+02, 1.2871E+02, 1.1237E+02,\n + 1.1237E+02, 1.1467E+02, 9.5788E+01, 1.0039E+02, 9.5327E+01,\n 5 7.7597E+01, 8.9110E+01, 7.7597E+01, 5.8486E+01, 7.0920E+01,\n + 6.7696E+01, 4.1907E+01, 5.5953E+01, 5.3190E+01, 3.6841E+01,\n 6 3.7072E+01, 4.1216E+01, 3.5230E+01, 2.4407E+01, 2.4868E+01,\n + 2.9243E+01, 2.5328E+01, 1.8352E+01, 1.3931E+01, 2.0032E+01,\n 7 1.9526E+01, 1.0845E+01, 1.0293E+01, 1.0799E+01, 1.2411E+01,\n + 9.3945E+00, 9.0952E+00, 4.2598E+00, 5.8486E+00, 8.1281E+00,\n 8 5.9176E+00, 4.5131E+00, 2.7861E+00, 3.0624E+00, 3.5230E+00,\n + 4.4210E+00, 3.1085E+00, 2.0102E+00, 1.3033E+00/\n\nC Spectral distribution used to calculate the photolysis rates in \nC the Test Case\nC Spectral Distribution for SD=Z0, Normalized to give phot(NO2-06)=0.5. \nC Output by PHK.\n\n INTEGER, PARAMETER :: N_SAPRC07_SPECTRUM = 48\n\n REAL SAPRC07_SPECTRUM ( N_SAPRC07_SPECTRUM ) ! wavelenghts in um\n DATA SAPRC07_SPECTRUM /\n & 0.2975,0.3025,0.3075,0.3125,0.3175,\n & 0.3225,0.3275,0.3325,0.3375,0.3425,\n & 0.3475,0.3525,0.3575,0.3625,0.3675,\n & 0.3725,0.3775,0.3825,0.3875,0.3925,\n & 0.3975,0.4025,0.4075,0.4125,0.4175,\n & 0.4250,0.4350,0.4450,0.4550,0.4650,\n & 0.4750,0.4850,0.4950,0.5050,0.5150,\n & 0.5250,0.5350,0.5450,0.5550,0.5650,\n & 0.5750,0.5900,0.6100,0.6300,0.6500,\n & 0.6700,0.6900,0.8500 /\n\n\n REAL SAPRC07_FLUX ( N_SAPRC07_SPECTRUM ) ! ?? light quanta s-1 cm-2\n DATA SAPRC07_FLUX /\n & 4.284E+16,4.158E+17,1.473E+18,3.281E+18,4.545E+18,\n & 5.725E+18,8.243E+18,8.724E+18,8.609E+18,9.290E+18,\n & 9.264E+18,1.050E+19,9.673E+18,1.071E+19,1.316E+19,\n & 1.191E+19,1.327E+19,1.097E+19,1.202E+19,1.243E+19,\n & 1.505E+19,1.807E+19,2.027E+19,2.142E+19,2.173E+19,\n & 2.131E+19,2.194E+19,2.544E+19,2.899E+19,2.967E+19,\n & 3.040E+19,3.019E+19,3.025E+19,3.129E+19,3.072E+19,\n & 3.124E+19,3.124E+19,3.072E+19,3.103E+19,3.129E+19,\n & 3.197E+19,3.265E+19,3.291E+19,3.317E+19,3.396E+19,\n & 3.474E+19,3.474E+19,3.474E+19 /\n\n!IUPAC 2005 recommendation\n!http://iupac.pole-ether.fr/htdocs/datasheets/pdf/P15_C2H5ONO2+hv.pdf\n!\n!298K cs from:\n!M. P. Turberg, D. M. Giolando, C. Tilt, T. Soper, S. Mason, M. Davies, P. Klingensmith,\n!and G. A. Takacs, J. Photochem. Photobiol. A51, 281 (1990)\n!\n!T dependence average from:\n!1. L. Zhu and C.-F. Ding, Chem. Phys. Lett. 265, 177 (1997).\n!2. K. C. Clemitshaw, J. Williams, O. V. Rattigan, D. E. Shallcross, K. S. Law, and R. A.\n! Cox, J. Photochem. Photobiol. A: Chemistry 102, 117 (1997).\n!3. R. K. Talukdar, J. B. Burkholder, M. Hunter, M. K. Giles, J. M. Roberts, and A. R.\n! Ravishankara, J. Chem. Soc. Faraday Trans. 93, 2797 (1997)\n!\n!Quantum Yield\n!\n!phi (CH3CH2O + NO2) = unity from 290 nm to 340 nm\n!\n!ln(sigma(T,lambda)) - ln(sigma(298,lambda)) = B * (T-298)\n!wlv\n INTEGER, PARAMETER :: N_ETHYNO3_XC_SLOPE = 22\n REAL WV_ETHYNO3_XC_B( N_ETHYNO3_XC_SLOPE ) \n DATA WV_ETHYNO3_XC_B / \n & 235.0,\n & 240.0,\n & 245.0,\n & 250.0,\n & 255.0,\n & 260.0,\n & 265.0,\n & 270.0,\n & 275.0,\n & 280.0,\n & 285.0,\n & 290.0,\n & 295.0,\n & 300.0,\n & 305.0,\n & 310.0,\n & 315.0,\n & 320.0, \n & 325.0, \n & 330.0, \n & 335.0, \n & 340.0 / \n!B\n REAL ETHYNO3_XC_B( N_ETHYNO3_XC_SLOPE )\n DATA ETHYNO3_XC_B /\n & 0.0014,\n & 0.0028,\n & 0.0029,\n & 0.0028,\n & 0.0026,\n & 0.0026,\n & 0.0029,\n & 0.0031,\n & 0.0033,\n & 0.0036,\n & 0.0038,\n & 0.0042,\n & 0.0047,\n & 0.0051,\n & 0.0058,\n & 0.0067,\n & 0.0079,\n & 0.0086,\n & 0.0104,\n & 0.0129,\n & 0.0141,\n & 0.0156 /\n\n INTEGER, PARAMETER :: N_CH3ONO2_XC_SLOPE = 21\n REAL WV_CH3ONO2_XC_B( N_CH3ONO2_XC_SLOPE ) \n DATA WV_CH3ONO2_XC_B / \n & 240.0,\n & 245.0,\n & 250.0,\n & 255.0,\n & 260.0,\n & 265.0,\n & 270.0,\n & 275.0,\n & 280.0,\n & 285.0,\n & 290.0,\n & 295.0,\n & 300.0,\n & 305.0,\n & 310.0,\n & 315.0,\n & 320.0,\n & 325.0, \n & 330.0, \n & 335.0, \n & 340.0 / \n!B\n REAL CH3ONO2_XC_B( N_CH3ONO2_XC_SLOPE )\n DATA CH3ONO2_XC_B /\n & 3.48E-3,\n & 3.29E-3,\n & 2.96E-3,\n & 2.82E-3,\n & 2.83E-3,\n & 2.92E-3,\n & 3.08E-3,\n & 3.28E-3,\n & 3.51E-3,\n & 3.78E-3,\n & 4.04E-3,\n & 4.47E-3,\n & 4.94E-3,\n & 5.56E-3,\n & 6.33E-3,\n & 7.34E-3,\n & 8.74E-3,\n & 9.97E-3,\n & 13.6E-3,\n & 13.6E-3,\n & 13.6E-3 /\n\n REAL, SAVE :: INTERP_SAPRC07_FLUX( KW )\n REAL, SAVE :: HNO3_XCROSS_298K(kw)\n REAL, SAVE :: HNO3_XCROSS_EXP(kw)\n REAL, SAVE :: XC_D_ACETONE( kw ) ! (deg K)^-3\n REAL, SAVE :: XC_C_ACETONE( kw ) ! (deg K)^-1\n REAL, SAVE :: XC_B_ACETONE( kw ) ! (deg K)^-1\n REAL, SAVE :: XC_A_ACETONE( kw ) ! (deg K)^-1\n REAL, SAVE :: XCROSS_ACETONE_298K( kw ) ! cm^2\n REAL, SAVE :: IC3ONO2_XCROSS_298K(kw)\n REAL, SAVE :: IC3ONO2_XCROSS_EXP(kw)\n REAL, SAVE :: HO2NO2_XCROSS_296K(kw), HO2NO2_XCROSS_A1(kw),\n & HO2NO2_XCROSS_A2(kw)\n REAL, SAVE :: H2O2_XCROSS_A( KW ), H2O2_XCROSS_B( KW )\n REAL, SAVE :: NO2_QUANT_248K(kw), NO2_QUANT_298K(kw)\n REAL, SAVE :: NO2_XCROSS_220K(kw), NO2_XCROSS_294K(kw)\n REAL, SAVE :: CLONO2_XCROSS0(kw), CLONO2_A1(kw), CLONO2_A2(kw)\n REAL, SAVE :: PAN_XCROSS(kw), PAN_XCROSS_B(KW)\n REAL, SAVE :: CCHO_QUANT_INFIN(kw)\n REAL, SAVE :: CCHO_YIELD_COEFF(kw)\n REAL, SAVE :: O3_XCROSS_218K(kw),O3_XCROSS_293K(kw)\n REAL, SAVE :: HCHO_XCROSS_300K(kw), HCHO_XCROSS_A(kw)\n REAL, SAVE :: HCHO_QUANTM_STP(kw), HCHO_QUANTR_STP(kw)\n REAL, SAVE :: AQY_HCHO_BELOW_220K(kw), AQY_HCHO_ABOVE_300K(kw),\n & AQY_HCHO_220K_TO_300K(KW)\n REAL, SAVE :: BQY_HCHO(kw)\n REAL, SAVE :: NO3_XCROSS_06(kw)\n REAL, SAVE :: NO3NO_QUANT_298K(kw), NO3NO2_QUANT_298K(kw)\n REAL, SAVE :: NO3NO_QUANT_230K(kw), NO3NO2_QUANT_230K(kw)\n REAL, SAVE :: NO3NO_QUANT_190K(kw), NO3NO2_QUANT_190K(kw)\n REAL, SAVE :: N2O5_XCROSS_298K(kw), N2O5_XCROSS_EXP(kw)\n REAL, SAVE :: ETHYNO3_XCROSS_B(KW)\n REAL, SAVE :: CH3ONO2_XCROSS_B(KW)\n REAL, SAVE :: CLNO2_XCROSS_A1(KW)\n REAL, SAVE :: CLNO2_XCROSS_A2(KW)\n\n CONTAINS\n\n SUBROUTINE INIT_CSQY_REFER_DATA()\n\n IMPLICIT NONE\n\n INTEGER, PARAMETER :: nw = kw\n REAL wl(nw)\n REAL wu(nw)\n REAL wc(nw)\n\n\n REAL, ALLOCATABLE :: WAVE( : ), XDUMB( : ), YDUMB( : ), ZDUMB( : )\n REAL :: FACTOR\n INTEGER :: I, NDUMB\n REAL( 8 ) :: ILAMBDA\n\n INTEGER J \n \n LOGICAL, SAVE :: INITIALIZED = .FALSE.\n\n INTERFACE\n SUBROUTINE WVBIN_AVERAGE(WL_CS_IN, CS_IN, NWL_CS_IN, \n & WL_QY_IN, QY_IN, NWL_QY_IN, \n & SPECTRA_TYPE,\n & WLL_AVE, WLU_AVE, NWL_AVE, \n & CS_AVE, QY_AVE )\n CHARACTER(1), INTENT( IN ) :: SPECTRA_TYPE ! spectra type\n INTEGER, INTENT( IN ) :: NWL_AVE ! number of intervals average \n INTEGER, INTENT( IN ) :: NWL_CS_IN ! number of intervals CS_IN\n INTEGER, INTENT( IN ) :: NWL_QY_IN ! number of intervals CS_IN\n REAL, INTENT( IN ) :: WL_CS_IN( : ) ! wl for CS_IN\n REAL, INTENT( IN ) :: WL_QY_IN( : ) ! wl for QY_IN\n REAL, INTENT( IN ) :: CS_IN( : ) ! cross-section as f(WLIN)\n REAL, INTENT( IN ) :: QY_IN( : ) ! quantum yield as f(WLIN)\n REAL, INTENT( INOUT ) :: WLL_AVE( : ) ! lower limit on wl effective interval\n REAL, INTENT( INOUT ) :: WLU_AVE( : ) ! upper limit on wl effective interval\n REAL, INTENT( INOUT ) :: CS_AVE( : ) ! cross-section as f(WL_AVE)\n REAL, INTENT( INOUT ) :: QY_AVE( : ) ! quantum yield as f(WL_AVE)\n END SUBROUTINE WVBIN_AVERAGE\n SUBROUTINE WVBIN_AVERAGE_B(WL_CS_IN, CS_IN, NWL_CS_IN, \n & WL_QY_IN, QY_IN, NWL_QY_IN, \n & SPECTRA_TYPE,\n & WLL_AVE, WLU_AVE, NWL_AVE, \n & CS_AVE, QY_AVE )\n CHARACTER(1), INTENT( IN ) :: SPECTRA_TYPE ! spectra type\n INTEGER, INTENT( IN ) :: NWL_AVE ! number of intervals average \n INTEGER, INTENT( IN ) :: NWL_CS_IN ! number of intervals CS_IN\n INTEGER, INTENT( IN ) :: NWL_QY_IN ! number of intervals CS_IN\n REAL, INTENT( IN ) :: WL_CS_IN( : ) ! wl for CS_IN\n REAL, INTENT( IN ) :: WL_QY_IN( : ) ! wl for QY_IN\n REAL, INTENT( IN ) :: CS_IN( : ) ! cross-section as f(WLIN)\n REAL, INTENT( IN ) :: QY_IN( : ) ! quantum yield as f(WLIN)\n REAL, INTENT( INOUT ) :: WLL_AVE( : ) ! lower limit on wl effective interval\n REAL, INTENT( INOUT ) :: WLU_AVE( : ) ! upper limit on wl effective interval\n REAL, INTENT( INOUT ) :: CS_AVE( : ) ! cross-section as f(WL_AVE)\n REAL, INTENT( INOUT ) :: QY_AVE( : ) ! quantum yield as f(WL_AVE)\n END SUBROUTINE WVBIN_AVERAGE_B\n END INTERFACE \n \n IF( INITIALIZED ) RETURN\n \n INITIALIZED = .TRUE. \n\n ALLOCATE( WAVE( MXWLIN ), XDUMB( MXWLIN ), ZDUMB( MXWLIN ), YDUMB( KW) )\n\n XDUMB = 1.0\n j = 0\n! CALL INTAVG (WV_O3_XC, O3_XC_218K, N_O3_XC, 'B', \n! & wl, wu, O3_XCROSS_218K, nw)\n\n\n! CALL INTAVG (WV_O3_XC, O3_XC_293K, N_O3_XC, 'B', \n! & wl, wu, O3_XCROSS_293K, nw)\n\n XDUMB = 1.0\n NDUMB = N_O3_XC\n WAVE = 0.0\n WAVE( 1:NDUMB ) = WV_O3_XC( 1:NDUMB )\n\n\n CALL WVBIN_AVERAGE(WAVE, O3_XC_218K, NDUMB, \n & WAVE, XDUMB, NDUMB, 'C',\n & WL, WU, NW, O3_XCROSS_218K, YDUMB )\n\n\n CALL WVBIN_AVERAGE(WAVE, O3_XC_293K, NDUMB, \n & WAVE, XDUMB, NDUMB, 'C',\n & WL, WU, NW, O3_XCROSS_293K, YDUMB )\n\n\n XDUMB = 1.0\n NDUMB = N_IC3ONO2_XC\n WAVE = 0.0\n WAVE( 1:NDUMB ) = WV_IC3ONO2_XC( 1:NDUMB )\n\n CALL WVBIN_AVERAGE(WAVE, IC3ONO2_XC_298K, NDUMB, \n & WAVE, XDUMB, NDUMB, 'C',\n & WL, WU, NW, IC3ONO2_XCROSS_298K, YDUMB )\n\n CALL WVBIN_AVERAGE(WAVE, IC3ONO2_XC_B, NDUMB, \n & WAVE, XDUMB, NDUMB, 'C',\n & WL, WU, NW, IC3ONO2_XCROSS_EXP, YDUMB )\n\n J = J + 1 \n\n XDUMB = 1.0\n NDUMB = N_N2O5_XC\n WAVE = 0.0\n WAVE( 1:NDUMB ) = WV_N2O5_XC( 1:NDUMB )\n\n CALL WVBIN_AVERAGE(WAVE, N2O5_XC_298K, NDUMB, \n & WAVE, XDUMB, NDUMB, 'C',\n & WL, WU, NW, N2O5_XCROSS_298K, YDUMB )\n\n CALL WVBIN_AVERAGE(WAVE, N2O5_XC_EXP, NDUMB, \n & WAVE, XDUMB, NDUMB, 'C',\n & WL, WU, NW, N2O5_XCROSS_EXP, YDUMB )\n\n J = J + 1 \n\n XDUMB = 1.0\n WAVE = 0.0\n NDUMB = N_ETHYNO3_XC_SLOPE\n WAVE( 1:NDUMB ) = WV_ETHYNO3_XC_B( 1:NDUMB )\n\n CALL WVBIN_AVERAGE(WAVE, ETHYNO3_XC_B, NDUMB, \n & WAVE, XDUMB, NDUMB, 'C',\n & WL, WU, NW, ETHYNO3_XCROSS_B, YDUMB )\n\n J = J + 1 \n\n XDUMB = 1.0\n WAVE = 0.0\n NDUMB = N_CH3ONO2_XC_SLOPE\n WAVE( 1:NDUMB ) = WV_CH3ONO2_XC_B( 1:NDUMB )\n\n CALL WVBIN_AVERAGE(WAVE, CH3ONO2_XC_B, NDUMB, \n & WAVE, XDUMB, NDUMB, 'C',\n & WL, WU, NW, CH3ONO2_XCROSS_B, YDUMB )\n\n J = J + 1 \n\n\n XDUMB = 1.0\n NDUMB = N_CCHO_QUENCH\n WAVE = 0.0\n WV_CCHO_QUENCH( 1 ) = 258.0\n DO J = 1, (N_CCHO_QUENCH-1)\n WV_CCHO_QUENCH( J+1 ) = WV_CCHO_QUENCH( J ) + 1.0\n END DO\n \n WAVE( 1:NDUMB ) = WV_CCHO_QUENCH( 1:NDUMB )\n\n DO J = 1, N_CCHO_QUENCH\n ILAMBDA = REAL(1.0/WV_CCHO_QUENCH( J ), 8)\n CCHO_QUENCH( J ) = REAL( 1.0D-21\n & * ( 1.04D27*EXP(-1.792D4*ILAMBDA) + 1.48D06*EXP(-3.211D3*ILAMBDA) ) )\n CCHO_PHI0( J ) = 1.0/(1.0 + EXP(0.2627801*(WV_CCHO_QUENCH( J ) - 320.56)) )\n! WRITE(6,'(A,3(1X,ES12.4))') \"WV_CCHO_QUENCH( J ), CCHO_QUENCH( J ), CCHO_PHI0( J ) = \",\n! & WV_CCHO_QUENCH( J ), CCHO_QUENCH( J ), CCHO_PHI0( J )\n END DO\n! STOP\n\n CALL WVBIN_AVERAGE(WAVE, CCHO_QUENCH, NDUMB, \n & WAVE, XDUMB, NDUMB, 'C',\n & WL, WU, NW, CCHO_YIELD_COEFF, YDUMB )\n\n CALL WVBIN_AVERAGE(WAVE, CCHO_PHI0, NDUMB, \n & WAVE, XDUMB, NDUMB, 'C',\n & WL, WU, NW, CCHO_QUANT_INFIN, YDUMB )\n\n J = J + 1 \n\n XDUMB = 1.0\n NDUMB = N_PAN\n WAVE = 0.0\n WAVE( 1:NDUMB ) = WV_PAN( 1:NDUMB )\n\n CALL WVBIN_AVERAGE(WAVE, PAN_XC_298K, NDUMB, \n & WAVE, XDUMB, NDUMB, 'C',\n & WL, WU, NW, PAN_XCROSS, YDUMB )\n\n CALL WVBIN_AVERAGE(WAVE, PAN_XC_EXP, NDUMB, \n & WAVE, XDUMB, NDUMB, 'C',\n & WL, WU, NW, PAN_XCROSS_B, YDUMB )\n\n J = J + 1 \n\n XDUMB = 1.0\n NDUMB = N_WL_ACETONE\n WAVE = 0.0\n WAVE( 1:NDUMB ) = WL_ACETONE( 1:NDUMB )\n\n CALL WVBIN_AVERAGE(WAVE, CSZ_ACETONE, NDUMB, \n & WAVE, XDUMB, NDUMB, 'C',\n & WL, WU, NW, XCROSS_ACETONE_298K, YDUMB )\n\n CALL WVBIN_AVERAGE(WAVE, A_ACETONE, NDUMB, \n & WAVE, XDUMB, NDUMB, 'C',\n & WL, WU, NW, XC_A_ACETONE, YDUMB )\n\n CALL WVBIN_AVERAGE(WAVE, B_ACETONE, NDUMB, \n & WAVE, XDUMB, NDUMB, 'C',\n & WL, WU, NW, XC_B_ACETONE, YDUMB )\n\n CALL WVBIN_AVERAGE(WAVE, C_ACETONE, NDUMB, \n & WAVE, XDUMB, NDUMB, 'C',\n & WL, WU, NW, XC_C_ACETONE, YDUMB )\n\n J = J + 1 \n\nC compute normalization correction to ACETONE coefficients\n\n \n DO I = 1, NW \n\t XC_D_ACETONE( I ) = 1.0\n & - XC_A_ACETONE( I )*298\n & - XC_B_ACETONE( I )*298**2\n & - XC_C_ACETONE( I )*298**3\n\t ENDDO\n\n XDUMB = 1.0\n NDUMB = N_HO2NO2\n WAVE = 0.0\n WAVE( 1:NDUMB ) = WV_HO2NO2( 1:NDUMB )\n\n CALL WVBIN_AVERAGE(WAVE, HO2NO2_XC_296K, NDUMB, \n & WAVE, XDUMB, NDUMB, 'C',\n & WL, WU, NW, HO2NO2_XCROSS_296K, YDUMB )\n\n CALL WVBIN_AVERAGE(WAVE, HO2NO2_A1_296K, NDUMB, \n & WAVE, XDUMB, NDUMB, 'C',\n & WL, WU, NW, HO2NO2_XCROSS_A1, YDUMB )\n\n CALL WVBIN_AVERAGE(WAVE, HO2NO2_A2_296K, NDUMB, \n & WAVE, XDUMB, NDUMB, 'C',\n & WL, WU, NW, HO2NO2_XCROSS_A2, YDUMB )\n J = J + 1\n\n\n XDUMB = 1.0\n NDUMB = (350.0 - 260.0)/5.0 + 1 \n XDUMB = 0.0\n YDUMB = 1.0\n ZDUMB = 0.0 \n DO I = 1, NDUMB\n WAVE( I ) = 260.0 + 5.0*(I-1)\n XDUMB(I) = 1.5534675E-13*WAVE(I)**7.0 - 2.652014E-10*WAVE(I)**6.0 \n & + 1.6878206E-07*WAVE(I)**5.0 - 4.035101E-05*WAVE(I)**4.0\n & - 4.4589016E-03*WAVE(I)**3.0 + 4.535649E+00*WAVE(I)**2.0 \n & - 9.2170972E+02*WAVE(I) + 6.4761E+04\n XDUMB(I) = MAX(XDUMB(I), 0.0)\n ENDDO\n\n CALL WVBIN_AVERAGE(WAVE, XDUMB, NDUMB, \n & WAVE, YDUMB, NDUMB, 'P',\n & WL, WU, NW, H2O2_XCROSS_A, ZDUMB )\n\n DO I = 1, NDUMB\n XDUMB(I) = -1.0924E-07*WAVE(I)**4.0 - 3.0493E-05*WAVE(I)**3.0 \n & + 1.1522E-01*WAVE(I)**2.0 - 5.1351E+01*WAVE(I) \n & + 6.8123E+03\n XDUMB(I) = MAX(XDUMB(I), 0.0)\n ENDDO\n\n CALL WVBIN_AVERAGE(WAVE, XDUMB, NDUMB, \n & WAVE, YDUMB, NDUMB, 'P',\n & WL, WU, NW, H2O2_XCROSS_B, ZDUMB )\n\n H2O2_XCROSS_A = 1.0E-21*H2O2_XCROSS_A\n H2O2_XCROSS_B = 1.0E-21*H2O2_XCROSS_B\n\n J = J + 1\n\n XDUMB = 1.0\n NDUMB = N_CLONO2\n WAVE = 0.0\n WAVE( 1:NDUMB ) = WV_CLONO2( 1:NDUMB )\n\n CALL WVBIN_AVERAGE(WAVE, CLONO2_XC_296K, NDUMB, \n & WAVE, XDUMB, NDUMB, 'C',\n & WL, WU, NW, CLONO2_XCROSS0, YDUMB )\n\n CALL WVBIN_AVERAGE(WAVE, CLONO2_A1_296K, NDUMB, \n & WAVE, XDUMB, NDUMB, 'C',\n & WL, WU, NW, CLONO2_A1, YDUMB )\n\n CALL WVBIN_AVERAGE(WAVE, CLONO2_A2_296K, NDUMB, \n & WAVE, XDUMB, NDUMB, 'C',\n & WL, WU, NW, CLONO2_A2, YDUMB )\n\n J = J + 1\n\n XDUMB = 1.0\n NDUMB = N_WAVE_XCLNO2\n WAVE = 0.0\n WAVE( 1:NDUMB ) = wave_CLNO2( 1:NDUMB )\n\n CALL WVBIN_AVERAGE(WAVE, A1_CLNO2, NDUMB, \n & WAVE, XDUMB, NDUMB, 'C',\n & WL, WU, NW, CLNO2_XCROSS_A1, YDUMB )\n\n CALL WVBIN_AVERAGE(WAVE, A2_CLNO2, NDUMB, \n & WAVE, XDUMB, NDUMB, 'C',\n & WL, WU, NW, CLNO2_XCROSS_A2, YDUMB )\n\n CLNO2_XCROSS_A1 = 1.0E-5 * CLNO2_XCROSS_A1\n CLNO2_XCROSS_A2 = 1.0E-5 * CLNO2_XCROSS_A2\n\n J = J + 1 \n\n XDUMB = 1.0\n NDUMB = N_NO2_XC\n WAVE = 0.0\n WAVE( 1:NDUMB ) = WV_NO2_XC( 1:NDUMB )\n\n CALL WVBIN_AVERAGE(WAVE, NO2_XC_294K, NDUMB, \n & WAVE, XDUMB, NDUMB, 'C',\n & WL, WU, NW, NO2_XCROSS_294K, YDUMB )\n\n\n CALL WVBIN_AVERAGE(WAVE, NO2_XC_220K, NDUMB, \n & WAVE, XDUMB, NDUMB, 'C',\n & WL, WU, NW, NO2_XCROSS_220K, YDUMB )\n\n J = J + 1 \n\n XDUMB = 0.0\n DO I = 1, N_NO2_XC\n FACTOR = (NO2_XC_294K(I)-NO2_XC_220K(I))\n & * (248.0-220.0)/74.0\n XDUMB( I ) = NO2_XC_220K(I)\n & + FACTOR\n\n ENDDO\n\n CALL WVBIN_AVERAGE(WAVE, XDUMB, NDUMB, \n & WV_NO2_QY, NO2_QY_248K, N_NO2_QY, 'C',\n & WL, WU, NW, YDUMB, NO2_QUANT_248K )\n\n J = J + 1 \n\n XDUMB = 0.0\n DO I = 1, N_NO2_XC\n XDUMB( I ) = NO2_XC_294K(I)\n ENDDO\n\n CALL WVBIN_AVERAGE(WAVE, XDUMB, NDUMB, \n & WV_NO2_QY, NO2_QY_298K, N_NO2_QY, 'C',\n & WL, WU, NW, YDUMB, NO2_QUANT_298K )\n\n J = J + 1 \n\n XDUMB = 1.0\n NDUMB = N_HNO3_XC\n WAVE = 0.0\n WAVE( 1:NDUMB ) = WV_HNO3_XC( 1:NDUMB )\n\n CALL WVBIN_AVERAGE(WAVE, HNO3_XC_298K, NDUMB, \n & WAVE, XDUMB, NDUMB, 'C',\n & WL, WU, NW, HNO3_XCROSS_298K, YDUMB )\n\n CALL WVBIN_AVERAGE(WAVE, HNO3_XC_B, NDUMB, \n & WAVE, XDUMB, NDUMB, 'C',\n & WL, WU, NW, HNO3_XCROSS_EXP, YDUMB )\n\n J = J + 1 \n\n XDUMB = 1.0\n NDUMB = N_HCHO_XC\n WAVE = 0.0\n WAVE( 1:NDUMB ) = WV_HCHO_XC( 1:NDUMB )\n\n CALL WVBIN_AVERAGE(WAVE, HCHO_XC_300K, NDUMB, \n & WAVE, XDUMB, NDUMB, 'C',\n & WL, WU, NW, HCHO_XCROSS_300K, YDUMB )\n\n CALL WVBIN_AVERAGE(WAVE, HCHO_XC_A, NDUMB, \n & WAVE, XDUMB, NDUMB, 'C',\n & WL, WU, NW, HCHO_XCROSS_A, YDUMB )\n\n J = J + 1 \n\n XDUMB = 0.0\n DO I = 1, N_HCHO_XC\n XDUMB( I ) = HCHO_XC_300K( I ) - 2.0*HCHO_XC_A( I )\n ENDDO\n\n CALL WVBIN_AVERAGE(WAVE, XDUMB, NDUMB, \n & WV_HCHO_QY, HCHO_QYR, N_HCHO_QY, 'C',\n & WL, WU, NW, YDUMB, HCHO_QUANTR_STP )\n\n CALL WVBIN_AVERAGE(WAVE, XDUMB, NDUMB, \n & WV_HCHO_QY, HCHO_QYM, N_HCHO_QY, 'C',\n & WL, WU, NW, YDUMB, HCHO_QUANTM_STP )\n\n ZDUMB = 0.0\n\n DO I = 1, N_HCHO_QY\n IF ( (WV_HCHO_QY(I) .GE. 330.) .AND. (HCHO_QYM(I) .GT. 0.) ) THEN\n ZDUMB(I) = ((1./HCHO_QYM(I))-(1./(1. - HCHO_QYR(I))))\n & * (1.+0.05*(WV_HCHO_QY(I)-329.0))\n ENDIF\n ENDDO\n\n CALL WVBIN_AVERAGE(WAVE, XDUMB, NDUMB, \n & WV_HCHO_QY, ZDUMB, N_HCHO_QY, 'C',\n & WL, WU, NW, YDUMB, AQY_HCHO_220K_TO_300K )\n\n ZDUMB = 0.0\n\n DO I = 1, N_HCHO_QY\n IF ( (WV_HCHO_QY(I) .GE. 330.) .AND. (HCHO_QYM(I) .GT. 0.) ) THEN\n ZDUMB(I) = ((1./HCHO_QYM(I))-(1./(1. - HCHO_QYR(I)))) \n & * (1.+0.0875*(WV_HCHO_QY(I)-329.0))\n ENDIF\n ENDDO\n\n CALL WVBIN_AVERAGE(WAVE, XDUMB, NDUMB, \n & WV_HCHO_QY, ZDUMB, N_HCHO_QY, 'C',\n & WL, WU, NW, YDUMB, AQY_HCHO_BELOW_220K )\n\n ZDUMB = 0.0\n\n DO I = 1, N_HCHO_QY\n IF ( (WV_HCHO_QY(I) .GE. 330.) .AND. (HCHO_QYM(I) .GT. 0.) ) THEN\n ZDUMB(I) = ((1./HCHO_QYM(I))-(1./(1. - HCHO_QYR(I)))) \n & * (1.+0.1375*(WV_HCHO_QY(I)-329.0))\n ENDIF\n ENDDO\n\n CALL WVBIN_AVERAGE(WAVE, XDUMB, NDUMB, \n & WV_HCHO_QY, ZDUMB, N_HCHO_QY, 'C',\n & WL, WU, NW, YDUMB, AQY_HCHO_ABOVE_300K )\n\n ZDUMB = 0.0\n\n DO I = 1, N_HCHO_QY\n ZDUMB(I) = (1./(1. - HCHO_QYR(I)))\n ENDDO\n\n CALL WVBIN_AVERAGE(WAVE, XDUMB, NDUMB, \n & WV_HCHO_QY, ZDUMB, N_HCHO_QY, 'C',\n & WL, WU, NW, YDUMB, BQY_HCHO )\n\n\n J = J + 1 \n\n WAVE = 0.0\n NDUMB = N_NO3_06\n WAVE(1:NDUMB) = WV_NO3_06(1:NDUMB)\n\n FACTOR = (1.0-exp(-1096.4/190.0)- 2.0*exp(-529.5/190.0))\n & / (1.0-exp(-1096.4/298.0)- 2.0*exp(-529.5/298.0))\n XDUMB = 0.0\n XDUMB( 1:N_NO3_06) = FACTOR * XC_NO3_06(1:N_NO3_06) \n\n\n CALL WVBIN_AVERAGE(WAVE, XDUMB, NDUMB, \n & WV_NO3_QY, NO3NO2_QY_190K, N_NO3_QY, 'C',\n & WL, WU, NW, YDUMB, NO3NO2_QUANT_190K )\n\n CALL WVBIN_AVERAGE(WAVE, XDUMB, NDUMB, \n & WV_NO3_QY, NO3NO_QY_190K, N_NO3_QY, 'C',\n & WL, WU, NW, YDUMB, NO3NO_QUANT_190K )\n\n J = J + 1 \n\n FACTOR = (1.0-exp(-1096.4/230.0)-2.0*exp(-529.5/230.0))\n & / (1.0-exp(-1096.4/298.0)-2.0*exp(-529.5/298.0))\n XDUMB = 0.0\n XDUMB( 1:NDUMB) = FACTOR * XC_NO3_06(1:NDUMB) \n\n CALL WVBIN_AVERAGE(WAVE, XDUMB, NDUMB, \n & WV_NO3_QY, NO3NO_QY_230K, N_NO3_QY, 'C',\n & WL, WU, NW, YDUMB, NO3NO_QUANT_230K )\n\n\n CALL WVBIN_AVERAGE(WAVE, XDUMB, NDUMB, \n & WV_NO3_QY, NO3NO2_QY_230K, N_NO3_QY, 'C',\n & WL, WU, NW, YDUMB, NO3NO2_QUANT_230K )\n\n J = J + 1 \n\n XDUMB = 0.0\n XDUMB( 1:N_NO3_06) = XC_NO3_06(1:N_NO3_06) \n\n CALL WVBIN_AVERAGE(WAVE, XDUMB, NDUMB, \n & WV_NO3_QY, NO3NO_QY_298K, N_NO3_QY, 'C',\n & WL, WU, NW, YDUMB, NO3NO_QUANT_298K )\n\n! average cross-section as well as quantum yield\n\n CALL WVBIN_AVERAGE(WAVE, XDUMB, NDUMB, \n & WV_NO3_QY, NO3NO2_QY_298K, N_NO3_QY, 'C',\n & WL, WU, NW, NO3_XCROSS_06, NO3NO2_QUANT_298K )\n\n J = J + 1 \n\n DEALLOCATE( WAVE, XDUMB, YDUMB )\n\n RETURN\n END SUBROUTINE INIT_CSQY_REFER_DATA\n\n\n END MODULE CSQY_REFER_DATA\n" }, { "path": "UTIL/inline_phot_preproc/src/INLINE_CSQY.F", "content": " MODULE CSQY_DATA\n\n IMPLICIT NONE\n\nC.....PARAMETERS and their descriptions:\n\n INTEGER, PARAMETER :: NPHOT_REF = 77 ! # ref phot reactions \n\n INTEGER, PARAMETER :: NTEMP = 3 ! # ref temperatures \n\n INTEGER, PARAMETER :: NWL_REF = 7 ! # ref wavelengths \n\nC...Names of the mapped photolysis reactions (available to chemical)\nC... mechanisms) and their pointers to the reference photolysis rxn\n\n\n INTEGER, PARAMETER :: INO2-06 = 1 ! pointer to NO2-06 \n INTEGER, PARAMETER :: INO3NO-06 = 2 ! pointer to NO3NO-06 \n INTEGER, PARAMETER :: INO3NO2-6 = 3 ! pointer to NO3NO2-6 \n INTEGER, PARAMETER :: IO3O1D-06 = 4 ! pointer to O3O1D-06 \n INTEGER, PARAMETER :: IO3O3P-06 = 5 ! pointer to O3O3P-06 \n INTEGER, PARAMETER :: IHONO-06 = 6 ! pointer to HONO-06 \n INTEGER, PARAMETER :: IHNO3 = 7 ! pointer to HNO3 \n INTEGER, PARAMETER :: IHNO4-06 = 8 ! pointer to HNO4-06 \n INTEGER, PARAMETER :: IH2O2 = 9 ! pointer to H2O2 \n INTEGER, PARAMETER :: INO2EX = 10 ! pointer to NO2EX \n INTEGER, PARAMETER :: IPAN = 11 ! pointer to PAN \n INTEGER, PARAMETER :: IHCHOR-06 = 12 ! pointer to HCHOR-06 \n INTEGER, PARAMETER :: IHCHOM-06 = 13 ! pointer to HCHOM-06 \n INTEGER, PARAMETER :: ICCHO_R = 14 ! pointer to CCHO_R \n INTEGER, PARAMETER :: IC2CHO = 15 ! pointer to C2CHO \n INTEGER, PARAMETER :: IACET-06 = 16 ! pointer to ACET-06 \n INTEGER, PARAMETER :: IMEK-06 = 17 ! pointer to MEK-06 \n INTEGER, PARAMETER :: ICOOH = 18 ! pointer to COOH \n INTEGER, PARAMETER :: IGLY-07R = 19 ! pointer to GLY-07R \n INTEGER, PARAMETER :: IGLY-07M = 20 ! pointer to GLY-07M \n INTEGER, PARAMETER :: IMGLY-06 = 21 ! pointer to MGLY-06 \n INTEGER, PARAMETER :: IBACL-07 = 22 ! pointer to BACL-07 \n INTEGER, PARAMETER :: IBALD-06 = 23 ! pointer to BALD-06 \n INTEGER, PARAMETER :: IAFG1 = 24 ! pointer to AFG1 \n INTEGER, PARAMETER :: IMACR-06 = 25 ! pointer to MACR-06 \n INTEGER, PARAMETER :: IMVK-06 = 26 ! pointer to MVK-06 \n INTEGER, PARAMETER :: IIC3ONO2 = 27 ! pointer to IC3ONO2 \n INTEGER, PARAMETER :: IHOCCHO_IUPAC = 28 ! pointer to HOCCHO_IUPAC \n INTEGER, PARAMETER :: IACRO-09 = 29 ! pointer to ACRO-09 \n INTEGER, PARAMETER :: IPAA = 30 ! pointer to PAA \n INTEGER, PARAMETER :: ICL2 = 31 ! pointer to CL2 \n INTEGER, PARAMETER :: ICLNO-06 = 32 ! pointer to CLNO-06 \n INTEGER, PARAMETER :: ICLONO = 33 ! pointer to CLONO \n INTEGER, PARAMETER :: ICLNO2 = 34 ! pointer to CLNO2 \n INTEGER, PARAMETER :: ICLONO2-1 = 35 ! pointer to CLONO2-1 \n INTEGER, PARAMETER :: ICLONO2-2 = 36 ! pointer to CLONO2-2 \n INTEGER, PARAMETER :: IHOCL-06 = 37 ! pointer to HOCL-06 \n INTEGER, PARAMETER :: ICLCCHO = 38 ! pointer to CLCCHO \n INTEGER, PARAMETER :: ICLACET = 39 ! pointer to CLACET \n INTEGER, PARAMETER :: INO2_SAPRC99 = 40 ! pointer to NO2_SAPRC99 \n INTEGER, PARAMETER :: INO3NO_SAPRC99 = 41 ! pointer to NO3NO_SAPRC99 \n INTEGER, PARAMETER :: INO3NO2_SAPRC99 = 42 ! pointer to NO3NO2_SAPRC99 \n INTEGER, PARAMETER :: IO3O3P_SAPRC99 = 43 ! pointer to O3O3P_SAPRC99 \n INTEGER, PARAMETER :: IO3O1D_SAPRC99 = 44 ! pointer to O3O1D_SAPRC99 \n INTEGER, PARAMETER :: IHONO_NO_SAPRC99 = 45 ! pointer to HONO_NO_SAPRC99 \n INTEGER, PARAMETER :: IHONO_NO2_SAPRC99 = 46 ! pointer to HONO_NO2_SAPRC99\n INTEGER, PARAMETER :: IHNO3_SAPRC99 = 47 ! pointer to HNO3_SAPRC99 \n INTEGER, PARAMETER :: IHO2NO2_SAPRC99 = 48 ! pointer to HO2NO2_SAPRC99 \n INTEGER, PARAMETER :: IH2O2_SAPRC99 = 49 ! pointer to H2O2_SAPRC99 \n INTEGER, PARAMETER :: IHCHO_R_SAPRC99 = 50 ! pointer to HCHO_R_SAPRC99 \n INTEGER, PARAMETER :: IHCHO_M_SAPRC99 = 51 ! pointer to HCHO_M_SAPRC99 \n INTEGER, PARAMETER :: ICCHO_R_SAPRC99 = 52 ! pointer to CCHO_R_SAPRC99 \n INTEGER, PARAMETER :: IC2CHO_SAPRC99 = 53 ! pointer to C2CHO_SAPRC99 \n INTEGER, PARAMETER :: IACETONE_SAPRC99 = 54 ! pointer to ACETONE_SAPRC99 \n INTEGER, PARAMETER :: IKETONE_SAPRC99 = 55 ! pointer to KETONE_SAPRC99 \n INTEGER, PARAMETER :: ICOOH_SAPRC99 = 56 ! pointer to COOH_SAPRC99 \n INTEGER, PARAMETER :: IGLY_R_SAPRC99 = 57 ! pointer to GLY_R_SAPRC99 \n INTEGER, PARAMETER :: IGLY_ABS_SAPRC99 = 58 ! pointer to GLY_ABS_SAPRC99 \n INTEGER, PARAMETER :: IMGLY_ADJ_SAPRC99 = 59 ! pointer to MGLY_ADJ_SAPRC99\n INTEGER, PARAMETER :: IBACL_ADJ_SAPRC99 = 60 ! pointer to BACL_ADJ_SAPRC99\n INTEGER, PARAMETER :: IBZCHO_SAPRC99 = 61 ! pointer to BZCHO_SAPRC99 \n INTEGER, PARAMETER :: IACROLEIN_SAPRC99 = 62 ! pointer to ACROLEIN_SAPRC99\n INTEGER, PARAMETER :: IIC3ONO2_SAPRC99 = 63 ! pointer to IC3ONO2_SAPRC99 \n INTEGER, PARAMETER :: IMGLY_ABS_SAPRC99 = 64 ! pointer to MGLY_ABS_SAPRC99\n INTEGER, PARAMETER :: IO3_O3P_IUPAC04 = 65 ! pointer to O3_O3P_IUPAC04 \n INTEGER, PARAMETER :: IO3_O1D_IUPAC04 = 66 ! pointer to O3_O1D_IUPAC04 \n INTEGER, PARAMETER :: IHONO_IUPAC04 = 67 ! pointer to HONO_IUPAC04 \n INTEGER, PARAMETER :: IHO2NO2_IUPAC04 = 68 ! pointer to HO2NO2_IUPAC04 \n INTEGER, PARAMETER :: IHNO3_IUPAC04 = 69 ! pointer to HNO3_IUPAC04 \n INTEGER, PARAMETER :: IN2O5_IUPAC04 = 70 ! pointer to N2O5_IUPAC04 \n INTEGER, PARAMETER :: INTR_IUPAC04 = 71 ! pointer to NTR_IUPAC04 \n INTEGER, PARAMETER :: IPAN_IUPAC04 = 72 ! pointer to PAN_IUPAC04 \n INTEGER, PARAMETER :: IPACD_CB05 = 73 ! pointer to PACD_CB05 \n INTEGER, PARAMETER :: IMGLY_IUPAC04 = 74 ! pointer to MGLY_IUPAC04 \n INTEGER, PARAMETER :: ICL2_IUPAC04 = 75 ! pointer to CL2_IUPAC04 \n INTEGER, PARAMETER :: IHOCL_IUPAC04 = 76 ! pointer to HOCL_IUPAC04 \n INTEGER, PARAMETER :: IFMCL_IUPAC04 = 77 ! pointer to FMCL_IUPAC04 \n\n DATA PNAME_REF( INO2-06 ) / 'NO2-06 ' /\n DATA PNAME_REF( INO3NO-06 ) / 'NO3NO-06 ' /\n DATA PNAME_REF( INO3NO2-6 ) / 'NO3NO2-6 ' /\n DATA PNAME_REF( IO3O1D-06 ) / 'O3O1D-06 ' /\n DATA PNAME_REF( IO3O3P-06 ) / 'O3O3P-06 ' /\n DATA PNAME_REF( IHONO-06 ) / 'HONO-06 ' /\n DATA PNAME_REF( IHNO3 ) / 'HNO3 ' /\n DATA PNAME_REF( IHNO4-06 ) / 'HNO4-06 ' /\n DATA PNAME_REF( IH2O2 ) / 'H2O2 ' /\n DATA PNAME_REF( INO2EX ) / 'NO2EX ' /\n DATA PNAME_REF( IPAN ) / 'PAN ' /\n DATA PNAME_REF( IHCHOR-06 ) / 'HCHOR-06 ' /\n DATA PNAME_REF( IHCHOM-06 ) / 'HCHOM-06 ' /\n DATA PNAME_REF( ICCHO_R ) / 'CCHO_R ' /\n DATA PNAME_REF( IC2CHO ) / 'C2CHO ' /\n DATA PNAME_REF( IACET-06 ) / 'ACET-06 ' /\n DATA PNAME_REF( IMEK-06 ) / 'MEK-06 ' /\n DATA PNAME_REF( ICOOH ) / 'COOH ' /\n DATA PNAME_REF( IGLY-07R ) / 'GLY-07R ' /\n DATA PNAME_REF( IGLY-07M ) / 'GLY-07M ' /\n DATA PNAME_REF( IMGLY-06 ) / 'MGLY-06 ' /\n DATA PNAME_REF( IBACL-07 ) / 'BACL-07 ' /\n DATA PNAME_REF( IBALD-06 ) / 'BALD-06 ' /\n DATA PNAME_REF( IAFG1 ) / 'AFG1 ' /\n DATA PNAME_REF( IMACR-06 ) / 'MACR-06 ' /\n DATA PNAME_REF( IMVK-06 ) / 'MVK-06 ' /\n DATA PNAME_REF( IIC3ONO2 ) / 'IC3ONO2 ' /\n DATA PNAME_REF( IHOCCHO_IUPAC ) / 'HOCCHO_IUPAC ' /\n DATA PNAME_REF( IACRO-09 ) / 'ACRO-09 ' /\n DATA PNAME_REF( IPAA ) / 'PAA ' /\n DATA PNAME_REF( ICL2 ) / 'CL2 ' /\n DATA PNAME_REF( ICLNO-06 ) / 'CLNO-06 ' /\n DATA PNAME_REF( ICLONO ) / 'CLONO ' /\n DATA PNAME_REF( ICLNO2 ) / 'CLNO2 ' /\n DATA PNAME_REF( ICLONO2-1 ) / 'CLONO2-1 ' /\n DATA PNAME_REF( ICLONO2-2 ) / 'CLONO2-2 ' /\n DATA PNAME_REF( IHOCL-06 ) / 'HOCL-06 ' /\n DATA PNAME_REF( ICLCCHO ) / 'CLCCHO ' /\n DATA PNAME_REF( ICLACET ) / 'CLACET ' /\n DATA PNAME_REF( INO2_SAPRC99 ) / 'NO2_SAPRC99 ' /\n DATA PNAME_REF( INO3NO_SAPRC99 ) / 'NO3NO_SAPRC99 ' /\n DATA PNAME_REF( INO3NO2_SAPRC99 ) / 'NO3NO2_SAPRC99 ' /\n DATA PNAME_REF( IO3O3P_SAPRC99 ) / 'O3O3P_SAPRC99 ' /\n DATA PNAME_REF( IO3O1D_SAPRC99 ) / 'O3O1D_SAPRC99 ' /\n DATA PNAME_REF( IHONO_NO_SAPRC99 ) / 'HONO_NO_SAPRC99 ' /\n DATA PNAME_REF( IHONO_NO2_SAPRC99 ) / 'HONO_NO2_SAPRC99' /\n DATA PNAME_REF( IHNO3_SAPRC99 ) / 'HNO3_SAPRC99 ' /\n DATA PNAME_REF( IHO2NO2_SAPRC99 ) / 'HO2NO2_SAPRC99 ' /\n DATA PNAME_REF( IH2O2_SAPRC99 ) / 'H2O2_SAPRC99 ' /\n DATA PNAME_REF( IHCHO_R_SAPRC99 ) / 'HCHO_R_SAPRC99 ' /\n DATA PNAME_REF( IHCHO_M_SAPRC99 ) / 'HCHO_M_SAPRC99 ' /\n DATA PNAME_REF( ICCHO_R_SAPRC99 ) / 'CCHO_R_SAPRC99 ' /\n DATA PNAME_REF( IC2CHO_SAPRC99 ) / 'C2CHO_SAPRC99 ' /\n DATA PNAME_REF( IACETONE_SAPRC99 ) / 'ACETONE_SAPRC99 ' /\n DATA PNAME_REF( IKETONE_SAPRC99 ) / 'KETONE_SAPRC99 ' /\n DATA PNAME_REF( ICOOH_SAPRC99 ) / 'COOH_SAPRC99 ' /\n DATA PNAME_REF( IGLY_R_SAPRC99 ) / 'GLY_R_SAPRC99 ' /\n DATA PNAME_REF( IGLY_ABS_SAPRC99 ) / 'GLY_ABS_SAPRC99 ' /\n DATA PNAME_REF( IMGLY_ADJ_SAPRC99 ) / 'MGLY_ADJ_SAPRC99' /\n DATA PNAME_REF( IBACL_ADJ_SAPRC99 ) / 'BACL_ADJ_SAPRC99' /\n DATA PNAME_REF( IBZCHO_SAPRC99 ) / 'BZCHO_SAPRC99 ' /\n DATA PNAME_REF( IACROLEIN_SAPRC99 ) / 'ACROLEIN_SAPRC99' /\n DATA PNAME_REF( IIC3ONO2_SAPRC99 ) / 'IC3ONO2_SAPRC99 ' /\n DATA PNAME_REF( IMGLY_ABS_SAPRC99 ) / 'MGLY_ABS_SAPRC99' /\n DATA PNAME_REF( IO3_O3P_IUPAC04 ) / 'O3_O3P_IUPAC04 ' /\n DATA PNAME_REF( IO3_O1D_IUPAC04 ) / 'O3_O1D_IUPAC04 ' /\n DATA PNAME_REF( IHONO_IUPAC04 ) / 'HONO_IUPAC04 ' /\n DATA PNAME_REF( IHO2NO2_IUPAC04 ) / 'HO2NO2_IUPAC04 ' /\n DATA PNAME_REF( IHNO3_IUPAC04 ) / 'HNO3_IUPAC04 ' /\n DATA PNAME_REF( IN2O5_IUPAC04 ) / 'N2O5_IUPAC04 ' /\n DATA PNAME_REF( INTR_IUPAC04 ) / 'NTR_IUPAC04 ' /\n DATA PNAME_REF( IPAN_IUPAC04 ) / 'PAN_IUPAC04 ' /\n DATA PNAME_REF( IPACD_CB05 ) / 'PACD_CB05 ' /\n DATA PNAME_REF( IMGLY_IUPAC04 ) / 'MGLY_IUPAC04 ' /\n DATA PNAME_REF( ICL2_IUPAC04 ) / 'CL2_IUPAC04 ' /\n DATA PNAME_REF( IHOCL_IUPAC04 ) / 'HOCL_IUPAC04 ' /\n DATA PNAME_REF( IFMCL_IUPAC04 ) / 'FMCL_IUPAC04 ' /\n\nC...Setup the Mapping from CMAQ chemical reactions to the reference data\n\n INTEGER, PARAMETER :: NPHOT_MAP = 77 ! # phot mapped reactions \n\n CHARACTER(16), SAVE :: PNAME_MAP( NPHOT_MAP )\n CHARACTER(16), SAVE :: PHOT_MAP( NPHOT_MAP )\n\n DATA PNAME_MAP( 1 ), PHOT_MAP( 1 ) / 'NO2-06 ', INO2-06 / \n DATA PNAME_MAP( 2 ), PHOT_MAP( 2 ) / 'NO3NO-06 ', INO3NO-06 / \n DATA PNAME_MAP( 3 ), PHOT_MAP( 3 ) / 'NO3NO2-6 ', INO3NO2-6 / \n DATA PNAME_MAP( 4 ), PHOT_MAP( 4 ) / 'O3O1D-06 ', IO3O1D-06 / \n DATA PNAME_MAP( 5 ), PHOT_MAP( 5 ) / 'O3O3P-06 ', IO3O3P-06 / \n DATA PNAME_MAP( 6 ), PHOT_MAP( 6 ) / 'HONO-06 ', IHONO-06 / \n DATA PNAME_MAP( 7 ), PHOT_MAP( 7 ) / 'HNO3 ', IHNO3 / \n DATA PNAME_MAP( 8 ), PHOT_MAP( 8 ) / 'HNO4-06 ', IHNO4-06 / \n DATA PNAME_MAP( 9 ), PHOT_MAP( 9 ) / 'H2O2 ', IH2O2 / \n DATA PNAME_MAP( 10 ), PHOT_MAP( 10 ) / 'NO2EX ', INO2EX / \n DATA PNAME_MAP( 11 ), PHOT_MAP( 11 ) / 'PAN ', IPAN / \n DATA PNAME_MAP( 12 ), PHOT_MAP( 12 ) / 'HCHOR-06 ', IHCHOR-06 / \n DATA PNAME_MAP( 13 ), PHOT_MAP( 13 ) / 'HCHOM-06 ', IHCHOM-06 / \n DATA PNAME_MAP( 14 ), PHOT_MAP( 14 ) / 'CCHO_R ', ICCHO_R / \n DATA PNAME_MAP( 15 ), PHOT_MAP( 15 ) / 'C2CHO ', IC2CHO / \n DATA PNAME_MAP( 16 ), PHOT_MAP( 16 ) / 'ACET-06 ', IACET-06 / \n DATA PNAME_MAP( 17 ), PHOT_MAP( 17 ) / 'MEK-06 ', IMEK-06 / \n DATA PNAME_MAP( 18 ), PHOT_MAP( 18 ) / 'COOH ', ICOOH / \n DATA PNAME_MAP( 19 ), PHOT_MAP( 19 ) / 'GLY-07R ', IGLY-07R / \n DATA PNAME_MAP( 20 ), PHOT_MAP( 20 ) / 'GLY-07M ', IGLY-07M / \n DATA PNAME_MAP( 21 ), PHOT_MAP( 21 ) / 'MGLY-06 ', IMGLY-06 / \n DATA PNAME_MAP( 22 ), PHOT_MAP( 22 ) / 'BACL-07 ', IBACL-07 / \n DATA PNAME_MAP( 23 ), PHOT_MAP( 23 ) / 'BALD-06 ', IBALD-06 / \n DATA PNAME_MAP( 24 ), PHOT_MAP( 24 ) / 'AFG1 ', IAFG1 / \n DATA PNAME_MAP( 25 ), PHOT_MAP( 25 ) / 'MACR-06 ', IMACR-06 / \n DATA PNAME_MAP( 26 ), PHOT_MAP( 26 ) / 'MVK-06 ', IMVK-06 / \n DATA PNAME_MAP( 27 ), PHOT_MAP( 27 ) / 'IC3ONO2 ', IIC3ONO2 / \n DATA PNAME_MAP( 28 ), PHOT_MAP( 28 ) / 'HOCCHO_IUPAC ', IHOCCHO_IUPAC / \n DATA PNAME_MAP( 29 ), PHOT_MAP( 29 ) / 'ACRO-09 ', IACRO-09 / \n DATA PNAME_MAP( 30 ), PHOT_MAP( 30 ) / 'PAA ', IPAA / \n DATA PNAME_MAP( 31 ), PHOT_MAP( 31 ) / 'CL2 ', ICL2 / \n DATA PNAME_MAP( 32 ), PHOT_MAP( 32 ) / 'CLNO-06 ', ICLNO-06 / \n DATA PNAME_MAP( 33 ), PHOT_MAP( 33 ) / 'CLONO ', ICLONO / \n DATA PNAME_MAP( 34 ), PHOT_MAP( 34 ) / 'CLNO2 ', ICLNO2 / \n DATA PNAME_MAP( 35 ), PHOT_MAP( 35 ) / 'CLONO2-1 ', ICLONO2-1 / \n DATA PNAME_MAP( 36 ), PHOT_MAP( 36 ) / 'CLONO2-2 ', ICLONO2-2 / \n DATA PNAME_MAP( 37 ), PHOT_MAP( 37 ) / 'HOCL-06 ', IHOCL-06 / \n DATA PNAME_MAP( 38 ), PHOT_MAP( 38 ) / 'CLCCHO ', ICLCCHO / \n DATA PNAME_MAP( 39 ), PHOT_MAP( 39 ) / 'CLACET ', ICLACET / \n DATA PNAME_MAP( 40 ), PHOT_MAP( 40 ) / 'NO2_SAPRC99 ', INO2_SAPRC99 / \n DATA PNAME_MAP( 41 ), PHOT_MAP( 41 ) / 'NO3NO_SAPRC99 ', INO3NO_SAPRC99 / \n DATA PNAME_MAP( 42 ), PHOT_MAP( 42 ) / 'NO3NO2_SAPRC99 ', INO3NO2_SAPRC99 / \n DATA PNAME_MAP( 43 ), PHOT_MAP( 43 ) / 'O3O3P_SAPRC99 ', IO3O3P_SAPRC99 / \n DATA PNAME_MAP( 44 ), PHOT_MAP( 44 ) / 'O3O1D_SAPRC99 ', IO3O1D_SAPRC99 / \n DATA PNAME_MAP( 45 ), PHOT_MAP( 45 ) / 'HONO_NO_SAPRC99 ', IHONO_NO_SAPRC99 / \n DATA PNAME_MAP( 46 ), PHOT_MAP( 46 ) / 'HONO_NO2_SAPRC99', IHONO_NO2_SAPRC99 / \n DATA PNAME_MAP( 47 ), PHOT_MAP( 47 ) / 'HNO3_SAPRC99 ', IHNO3_SAPRC99 / \n DATA PNAME_MAP( 48 ), PHOT_MAP( 48 ) / 'HO2NO2_SAPRC99 ', IHO2NO2_SAPRC99 / \n DATA PNAME_MAP( 49 ), PHOT_MAP( 49 ) / 'H2O2_SAPRC99 ', IH2O2_SAPRC99 / \n DATA PNAME_MAP( 50 ), PHOT_MAP( 50 ) / 'HCHO_R_SAPRC99 ', IHCHO_R_SAPRC99 / \n DATA PNAME_MAP( 51 ), PHOT_MAP( 51 ) / 'HCHO_M_SAPRC99 ', IHCHO_M_SAPRC99 / \n DATA PNAME_MAP( 52 ), PHOT_MAP( 52 ) / 'CCHO_R_SAPRC99 ', ICCHO_R_SAPRC99 / \n DATA PNAME_MAP( 53 ), PHOT_MAP( 53 ) / 'C2CHO_SAPRC99 ', IC2CHO_SAPRC99 / \n DATA PNAME_MAP( 54 ), PHOT_MAP( 54 ) / 'ACETONE_SAPRC99 ', IACETONE_SAPRC99 / \n DATA PNAME_MAP( 55 ), PHOT_MAP( 55 ) / 'KETONE_SAPRC99 ', IKETONE_SAPRC99 / \n DATA PNAME_MAP( 56 ), PHOT_MAP( 56 ) / 'COOH_SAPRC99 ', ICOOH_SAPRC99 / \n DATA PNAME_MAP( 57 ), PHOT_MAP( 57 ) / 'GLY_R_SAPRC99 ', IGLY_R_SAPRC99 / \n DATA PNAME_MAP( 58 ), PHOT_MAP( 58 ) / 'GLY_ABS_SAPRC99 ', IGLY_ABS_SAPRC99 / \n DATA PNAME_MAP( 59 ), PHOT_MAP( 59 ) / 'MGLY_ADJ_SAPRC99', IMGLY_ADJ_SAPRC99 / \n DATA PNAME_MAP( 60 ), PHOT_MAP( 60 ) / 'BACL_ADJ_SAPRC99', IBACL_ADJ_SAPRC99 / \n DATA PNAME_MAP( 61 ), PHOT_MAP( 61 ) / 'BZCHO_SAPRC99 ', IBZCHO_SAPRC99 / \n DATA PNAME_MAP( 62 ), PHOT_MAP( 62 ) / 'ACROLEIN_SAPRC99', IACROLEIN_SAPRC99 / \n DATA PNAME_MAP( 63 ), PHOT_MAP( 63 ) / 'IC3ONO2_SAPRC99 ', IIC3ONO2_SAPRC99 / \n DATA PNAME_MAP( 64 ), PHOT_MAP( 64 ) / 'MGLY_ABS_SAPRC99', IMGLY_ABS_SAPRC99 / \n DATA PNAME_MAP( 65 ), PHOT_MAP( 65 ) / 'O3_O3P_IUPAC04 ', IO3_O3P_IUPAC04 / \n DATA PNAME_MAP( 66 ), PHOT_MAP( 66 ) / 'O3_O1D_IUPAC04 ', IO3_O1D_IUPAC04 / \n DATA PNAME_MAP( 67 ), PHOT_MAP( 67 ) / 'HONO_IUPAC04 ', IHONO_IUPAC04 / \n DATA PNAME_MAP( 68 ), PHOT_MAP( 68 ) / 'HO2NO2_IUPAC04 ', IHO2NO2_IUPAC04 / \n DATA PNAME_MAP( 69 ), PHOT_MAP( 69 ) / 'HNO3_IUPAC04 ', IHNO3_IUPAC04 / \n DATA PNAME_MAP( 70 ), PHOT_MAP( 70 ) / 'N2O5_IUPAC04 ', IN2O5_IUPAC04 / \n DATA PNAME_MAP( 71 ), PHOT_MAP( 71 ) / 'NTR_IUPAC04 ', INTR_IUPAC04 / \n DATA PNAME_MAP( 72 ), PHOT_MAP( 72 ) / 'PAN_IUPAC04 ', IPAN_IUPAC04 / \n DATA PNAME_MAP( 73 ), PHOT_MAP( 73 ) / 'PACD_CB05 ', IPACD_CB05 / \n DATA PNAME_MAP( 74 ), PHOT_MAP( 74 ) / 'MGLY_IUPAC04 ', IMGLY_IUPAC04 / \n DATA PNAME_MAP( 75 ), PHOT_MAP( 75 ) / 'CL2_IUPAC04 ', ICL2_IUPAC04 / \n DATA PNAME_MAP( 76 ), PHOT_MAP( 76 ) / 'HOCL_IUPAC04 ', IHOCL_IUPAC04 / \n DATA PNAME_MAP( 77 ), PHOT_MAP( 77 ) / 'FMCL_IUPAC04 ', IFMCL_IUPAC04 / \n\n REAL, SAVE :: TEMP_REF( NTEMP_REF, NPHOT_REF ) ! reference temperatures\n\n REAL, SAVE :: CS_REF( NPHOT_REF, NTEMP_REF, NWL_REF ) ! effective cross sections\n\n REAL, SAVE :: QY_REF( NPHOT_REF, NTEMP_REF, NWL_REF ) ! effective quantum yields\n\n REAL, SAVE :: ECS_REF( NPHOT_REF, NTEMP_REF, NWL_REF ) ! CS*QY averaged UCI Solar Flux\n\nC... effective quantum yields were computed by performing separate\nC... interval integrations for the cross sections and for the\nC... effective cross sections (cs*qy) (calculated on the finer\nC... wavelength grid. The effective quantum yield values\nC... were then calculated for the 7 wavelength intervals by \nC... dividing the effective cross sections by the interval average\nC... cross sections (eQY=eCS/CS).\n\n REAL, SAVE :: EQY_REF( NPHOT_REF, NTEMP_REF, NWL_REF ) ! eCS/CS averaged 77 bins in UCI Model\n\n\n INTEGER :: IWLR ! wavelength loop variable\n INTEGER :: ITT ! temperature loop variable\n\nC...NO2-06\nC.. NO2 + HV = NO + O\nC.. From NASA (2006).\nC.. Absorption cross sections are averages for wavelength intervals given.\nC.. Data alligned to smallest wavelength intervals for abs. coefs and qy's.\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, INO2-06 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( INO2-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.075247E-19, 1.484195E-19, 1.882053E-19, 2.274756E-19, \n & 3.449308E-19, 5.754674E-19, 1.195357E-20 /\n DATA ( CS_REF( INO2-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.075247E-19, 1.484195E-19, 1.882053E-19, 2.274756E-19, \n & 3.449308E-19, 5.754674E-19, 1.195357E-20 /\n DATA ( CS_REF( INO2-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.075247E-19, 1.484195E-19, 1.882053E-19, 2.274756E-19, \n & 3.449308E-19, 5.754674E-19, 1.195357E-20 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( INO2-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 8.174767E-01, 7.500325E-04 /\n DATA ( QY_REF( INO2-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 8.174767E-01, 7.500325E-04 /\n DATA ( QY_REF( INO2-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 8.174767E-01, 7.500325E-04 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( INO2-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.075247E-19, 1.484195E-19, 1.882053E-19, 2.274756E-19, \n & 3.449308E-19, 4.644382E-19, 4.476087E-22 /\n DATA ( ECS_REF( INO2-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.075247E-19, 1.484195E-19, 1.882053E-19, 2.274756E-19, \n & 3.449308E-19, 4.644382E-19, 4.476087E-22 /\n DATA ( ECS_REF( INO2-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.075247E-19, 1.484195E-19, 1.882053E-19, 2.274756E-19, \n & 3.449308E-19, 4.644382E-19, 4.476087E-22 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( INO2-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 8.070626E-01, 3.744562E-02 /\n DATA ( EQY_REF( INO2-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 8.070626E-01, 3.744562E-02 /\n DATA ( EQY_REF( INO2-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 8.070626E-01, 3.744562E-02 /\n\n\nC...NO3NO-06\nC.. NO3 + HV = NO + O2\nC.. From NASA (2006), for 298 K.\nC.. Quantum yields for wavelengths above 640 nm estimated by linear extrapolation.\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, INO3NO-06 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( INO3NO-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 6.269964E-19 /\n DATA ( CS_REF( INO3NO-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 6.269964E-19 /\n DATA ( CS_REF( INO3NO-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 6.269964E-19 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( INO3NO-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 2.298857E-02 /\n DATA ( QY_REF( INO3NO-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 2.298857E-02 /\n DATA ( QY_REF( INO3NO-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 2.298857E-02 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( INO3NO-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 9.811739E-20 /\n DATA ( ECS_REF( INO3NO-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 9.811739E-20 /\n DATA ( ECS_REF( INO3NO-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 9.811739E-20 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( INO3NO-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 1.564880E-01 /\n DATA ( EQY_REF( INO3NO-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 1.564880E-01 /\n DATA ( EQY_REF( INO3NO-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 1.564880E-01 /\n\n\nC...NO3NO2-6\nC.. NO3 + HV = NO2 + O\nC.. From NASA (2006), for 298 K.\nC.. Quantum yields for wavelengths above 640 nm estimated by linear extrapolation.\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, INO3NO2-6 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( INO3NO2-6, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 4.027492E-21, 1.227490E-18 /\n DATA ( CS_REF( INO3NO2-6, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 4.027492E-21, 1.227490E-18 /\n DATA ( CS_REF( INO3NO2-6, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 4.027492E-21, 1.227490E-18 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( INO3NO2-6, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 2.130039E-01, 4.268056E-01 /\n DATA ( QY_REF( INO3NO2-6, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 2.130039E-01, 4.268056E-01 /\n DATA ( QY_REF( INO3NO2-6, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 2.130039E-01, 4.268056E-01 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( INO3NO2-6, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 4.021786E-21, 7.834470E-19 /\n DATA ( ECS_REF( INO3NO2-6, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 4.021786E-21, 7.834470E-19 /\n DATA ( ECS_REF( INO3NO2-6, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 4.021786E-21, 7.834470E-19 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( INO3NO2-6, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 9.985834E-01, 6.382512E-01 /\n DATA ( EQY_REF( INO3NO2-6, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 9.985834E-01, 6.382512E-01 /\n DATA ( EQY_REF( INO3NO2-6, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 9.985834E-01, 6.382512E-01 /\n\n\nC...O3O1D-06\nC.. O3 + HV = O1D + O2\nC.. NASA (2006) abs. Coefs and IUPAC (2006) quantum yields\nC.. Absorption cross sections from NASA (2006).\nC.. Quantum yields are from IUPAC (2006) recommendation, interpolated\nC.. to the NASA (2006) absorption cross section wavelengths.\nC.. NASA (2006) does not give useable recommendations for the absorption\nC.. cross sections, except at <305 and >329 nm, where they are consistent\nC.. with the IUPAC recommendations.\nC.. Formation of O1D assumed not to occur at the high wavelength band.\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, IO3O1D-06 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IO3O1D-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.538772E-19, 2.750724E-19, 1.063743E-19, 4.625945E-20, \n & 6.599141E-21, 5.460147E-23, 0.000000E+00 /\n DATA ( CS_REF( IO3O1D-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.538772E-19, 2.750724E-19, 1.063743E-19, 4.625945E-20, \n & 6.599141E-21, 5.460147E-23, 0.000000E+00 /\n DATA ( CS_REF( IO3O1D-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.538772E-19, 2.750724E-19, 1.063743E-19, 4.625945E-20, \n & 6.599141E-21, 5.460147E-23, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IO3O1D-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.000000E-01, 8.929039E-01, 5.359917E-01, 2.218193E-01, \n & 8.688425E-02, 4.278574E-02, 0.000000E+00 /\n DATA ( QY_REF( IO3O1D-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.000000E-01, 8.929039E-01, 5.359917E-01, 2.218193E-01, \n & 8.688425E-02, 4.278574E-02, 0.000000E+00 /\n DATA ( QY_REF( IO3O1D-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.000000E-01, 8.929039E-01, 5.359917E-01, 2.218193E-01, \n & 8.688425E-02, 4.278574E-02, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IO3O1D-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 7.684895E-19, 2.464158E-19, 6.078768E-20, 1.068708E-20, \n & 6.625296E-22, 4.350859E-24, 0.000000E+00 /\n DATA ( ECS_REF( IO3O1D-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 7.684895E-19, 2.464158E-19, 6.078768E-20, 1.068708E-20, \n & 6.625296E-22, 4.350859E-24, 0.000000E+00 /\n DATA ( ECS_REF( IO3O1D-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 7.684895E-19, 2.464158E-19, 6.078768E-20, 1.068708E-20, \n & 6.625296E-22, 4.350859E-24, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IO3O1D-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.000000E-01, 8.958217E-01, 5.714506E-01, 2.310247E-01, \n & 1.003963E-01, 7.968391E-02, 0.000000E+00 /\n DATA ( EQY_REF( IO3O1D-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.000000E-01, 8.958217E-01, 5.714506E-01, 2.310247E-01, \n & 1.003963E-01, 7.968391E-02, 0.000000E+00 /\n DATA ( EQY_REF( IO3O1D-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.000000E-01, 8.958217E-01, 5.714506E-01, 2.310247E-01, \n & 1.003963E-01, 7.968391E-02, 0.000000E+00 /\n\n\nC...O3O3P-06\nC.. O3 + HV = O3P + O2\nC.. Absorption cross sections from NASA (2006).\nC.. Quantum yields are derived from the O1D quantum yields in the low wavelength re\nC.. Unit quantum yields assumed in high wavelength region.\nC.. Absorption cross sections below 829 nm are extrapolated\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, IO3O3P-06 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IO3O3P-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.408006E-19, 2.749081E-19, 1.063743E-19, 4.625945E-20, \n & 6.803506E-21, 6.139258E-23, 1.666851E-21 /\n DATA ( CS_REF( IO3O3P-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.408006E-19, 2.749081E-19, 1.063743E-19, 4.625945E-20, \n & 6.803506E-21, 6.139258E-23, 1.666851E-21 /\n DATA ( CS_REF( IO3O3P-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.408006E-19, 2.749081E-19, 1.063743E-19, 4.625945E-20, \n & 6.803506E-21, 6.139258E-23, 1.666851E-21 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IO3O3P-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E-01, 1.070961E-01, 4.640082E-01, 7.781807E-01, \n & 9.123901E-01, 9.572143E-01, 9.795594E-01 /\n DATA ( QY_REF( IO3O3P-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E-01, 1.070961E-01, 4.640082E-01, 7.781807E-01, \n & 9.123901E-01, 9.572143E-01, 9.795594E-01 /\n DATA ( QY_REF( IO3O3P-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E-01, 1.070961E-01, 4.640082E-01, 7.781807E-01, \n & 9.123901E-01, 9.572143E-01, 9.795594E-01 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IO3O3P-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.408006E-20, 2.864014E-20, 4.558666E-20, 3.557237E-20, \n & 6.109267E-21, 5.704172E-23, 1.666851E-21 /\n DATA ( ECS_REF( IO3O3P-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.408006E-20, 2.864014E-20, 4.558666E-20, 3.557237E-20, \n & 6.109267E-21, 5.704172E-23, 1.666851E-21 /\n DATA ( ECS_REF( IO3O3P-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.408006E-20, 2.864014E-20, 4.558666E-20, 3.557237E-20, \n & 6.109267E-21, 5.704172E-23, 1.666851E-21 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IO3O3P-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E-01, 1.041808E-01, 4.285494E-01, 7.689753E-01, \n & 8.979586E-01, 9.291306E-01, 1.000000E+00 /\n DATA ( EQY_REF( IO3O3P-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E-01, 1.041808E-01, 4.285494E-01, 7.689753E-01, \n & 8.979586E-01, 9.291306E-01, 1.000000E+00 /\n DATA ( EQY_REF( IO3O3P-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E-01, 1.041808E-01, 4.285494E-01, 7.689753E-01, \n & 8.979586E-01, 9.291306E-01, 1.000000E+00 /\n\n\nC...HONO-06\nC.. HONO + HV = HO. + NO\nC.. NASA (2006) recommended absorption cross sections. No recommendation on quantum yields.\nC.. IUPAC (2005) recommendation (Data Sheet PNOx1, July, 2001) recommends unit quantum yield\nC.. for OH + NO.\nC.. (IUPAC recommended absorption cross sections are low resolution, so NASA values are\nC.. preferred)\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, IHONO-06 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IHONO-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.487002E-21, 9.335758E-21, 1.881657E-20, 3.188727E-20, \n & 9.007236E-20, 6.903963E-20, 0.000000E+00 /\n DATA ( CS_REF( IHONO-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.487002E-21, 9.335758E-21, 1.881657E-20, 3.188727E-20, \n & 9.007236E-20, 6.903963E-20, 0.000000E+00 /\n DATA ( CS_REF( IHONO-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.487002E-21, 9.335758E-21, 1.881657E-20, 3.188727E-20, \n & 9.007236E-20, 6.903963E-20, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IHONO-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 6.771221E-01, 0.000000E+00 /\n DATA ( QY_REF( IHONO-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 6.771221E-01, 0.000000E+00 /\n DATA ( QY_REF( IHONO-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 6.771221E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IHONO-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.487002E-21, 9.335758E-21, 1.881657E-20, 3.188727E-20, \n & 9.007236E-20, 6.903962E-20, 0.000000E+00 /\n DATA ( ECS_REF( IHONO-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.487002E-21, 9.335758E-21, 1.881657E-20, 3.188727E-20, \n & 9.007236E-20, 6.903962E-20, 0.000000E+00 /\n DATA ( ECS_REF( IHONO-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.487002E-21, 9.335758E-21, 1.881657E-20, 3.188727E-20, \n & 9.007236E-20, 6.903962E-20, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IHONO-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999999E-01, 0.000000E+00 /\n DATA ( EQY_REF( IHONO-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999999E-01, 0.000000E+00 /\n DATA ( EQY_REF( IHONO-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999999E-01, 0.000000E+00 /\n\n\nC...HNO3\nC.. HNO3 + HV = products\nC.. IUPAC (1997) Recommendation\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, IHNO3 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IHNO3, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.358854E-21, 1.954560E-21, 8.462490E-22, 3.649802E-22, \n & 4.770221E-23, 3.875286E-25, 0.000000E+00 /\n DATA ( CS_REF( IHNO3, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.358854E-21, 1.954560E-21, 8.462490E-22, 3.649802E-22, \n & 4.770221E-23, 3.875286E-25, 0.000000E+00 /\n DATA ( CS_REF( IHNO3, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.358854E-21, 1.954560E-21, 8.462490E-22, 3.649802E-22, \n & 4.770221E-23, 3.875286E-25, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IHNO3, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.142428E-01, 0.000000E+00 /\n DATA ( QY_REF( IHNO3, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.142428E-01, 0.000000E+00 /\n DATA ( QY_REF( IHNO3, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.142428E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IHNO3, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.358854E-21, 1.954560E-21, 8.462490E-22, 3.649802E-22, \n & 4.770221E-23, 3.875253E-25, 0.000000E+00 /\n DATA ( ECS_REF( IHNO3, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.358854E-21, 1.954560E-21, 8.462490E-22, 3.649802E-22, \n & 4.770221E-23, 3.875253E-25, 0.000000E+00 /\n DATA ( ECS_REF( IHNO3, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.358854E-21, 1.954560E-21, 8.462490E-22, 3.649802E-22, \n & 4.770221E-23, 3.875253E-25, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IHNO3, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999914E-01, 0.000000E+00 /\n DATA ( EQY_REF( IHNO3, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999914E-01, 0.000000E+00 /\n DATA ( EQY_REF( IHNO3, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999914E-01, 0.000000E+00 /\n\n\nC...HNO4-06\nC.. HO2NO2 + HV = PRODUCTS\nC.. NASA (2006)\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, IHNO4-06 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IHNO4-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.685093E-20, 1.173546E-20, 5.713464E-21, 3.110148E-21, \n & 8.269189E-22, 2.119348E-23, 0.000000E+00 /\n DATA ( CS_REF( IHNO4-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.685093E-20, 1.173546E-20, 5.713464E-21, 3.110148E-21, \n & 8.269189E-22, 2.119348E-23, 0.000000E+00 /\n DATA ( CS_REF( IHNO4-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.685093E-20, 1.173546E-20, 5.713464E-21, 3.110148E-21, \n & 8.269189E-22, 2.119348E-23, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IHNO4-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.684180E-01, 0.000000E+00 /\n DATA ( QY_REF( IHNO4-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.684180E-01, 0.000000E+00 /\n DATA ( QY_REF( IHNO4-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.684180E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IHNO4-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.685093E-20, 1.173546E-20, 5.713464E-21, 3.110148E-21, \n & 8.269189E-22, 2.119341E-23, 0.000000E+00 /\n DATA ( ECS_REF( IHNO4-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.685093E-20, 1.173546E-20, 5.713464E-21, 3.110148E-21, \n & 8.269189E-22, 2.119341E-23, 0.000000E+00 /\n DATA ( ECS_REF( IHNO4-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.685093E-20, 1.173546E-20, 5.713464E-21, 3.110148E-21, \n & 8.269189E-22, 2.119341E-23, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IHNO4-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999966E-01, 0.000000E+00 /\n DATA ( EQY_REF( IHNO4-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999966E-01, 0.000000E+00 /\n DATA ( EQY_REF( IHNO4-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999966E-01, 0.000000E+00 /\n\n\nC...H2O2\nC.. H2O2 + HV = 2 OH\nC.. IUPAC (1997) Recommended.\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, IH2O2 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IH2O2, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.353273E-21, 5.771023E-21, 3.923019E-21, 2.721922E-21, \n & 1.138124E-21, 3.606317E-23, 0.000000E+00 /\n DATA ( CS_REF( IH2O2, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.353273E-21, 5.771023E-21, 3.923019E-21, 2.721922E-21, \n & 1.138124E-21, 3.606317E-23, 0.000000E+00 /\n DATA ( CS_REF( IH2O2, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.353273E-21, 5.771023E-21, 3.923019E-21, 2.721922E-21, \n & 1.138124E-21, 3.606317E-23, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IH2O2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.142428E-01, 0.000000E+00 /\n DATA ( QY_REF( IH2O2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.142428E-01, 0.000000E+00 /\n DATA ( QY_REF( IH2O2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.142428E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IH2O2, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.353273E-21, 5.771023E-21, 3.923019E-21, 2.721922E-21, \n & 1.138124E-21, 3.606284E-23, 0.000000E+00 /\n DATA ( ECS_REF( IH2O2, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.353273E-21, 5.771023E-21, 3.923019E-21, 2.721922E-21, \n & 1.138124E-21, 3.606284E-23, 0.000000E+00 /\n DATA ( ECS_REF( IH2O2, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.353273E-21, 5.771023E-21, 3.923019E-21, 2.721922E-21, \n & 1.138124E-21, 3.606284E-23, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IH2O2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999907E-01, 0.000000E+00 /\n DATA ( EQY_REF( IH2O2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999907E-01, 0.000000E+00 /\n DATA ( EQY_REF( IH2O2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999907E-01, 0.000000E+00 /\n\n\nC...NO2EX\nC.. NO2 + HV = NO2*\nC.. From NASA (2006), for 294 K.\nC.. Absorption cross sections are averages for wavelength intervals given.\nC.. Data alligned to smallest wavelength intervals for abs. coefs and qy's.\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, INO2EX ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( INO2EX, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.075247E-19, 1.484195E-19, 1.882053E-19, 2.274756E-19, \n & 3.449308E-19, 5.754674E-19, 1.067281E-19 /\n DATA ( CS_REF( INO2EX, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.075247E-19, 1.484195E-19, 1.882053E-19, 2.274756E-19, \n & 3.449308E-19, 5.754674E-19, 1.067281E-19 /\n DATA ( CS_REF( INO2EX, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.075247E-19, 1.484195E-19, 1.882053E-19, 2.274756E-19, \n & 3.449308E-19, 5.754674E-19, 1.067281E-19 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( INO2EX, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 1.825233E-01, 5.823866E-01 /\n DATA ( QY_REF( INO2EX, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 1.825233E-01, 5.823866E-01 /\n DATA ( QY_REF( INO2EX, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 1.825233E-01, 5.823866E-01 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( INO2EX, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 1.110292E-19, 1.062805E-19 /\n DATA ( ECS_REF( INO2EX, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 1.110292E-19, 1.062805E-19 /\n DATA ( ECS_REF( INO2EX, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 1.110292E-19, 1.062805E-19 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( INO2EX, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 1.929374E-01, 9.958060E-01 /\n DATA ( EQY_REF( INO2EX, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 1.929374E-01, 9.958060E-01 /\n DATA ( EQY_REF( INO2EX, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 1.929374E-01, 9.958060E-01 /\n\n\nC...PAN\nC.. PAN + HV = #.6 {MECO3 + NO2} + #.4 {MEO2 + CO2 + NO3}\nC.. IUPAC Data Sheet P21.updated: 12/19/05\nC.. Reaction reflects recommended quantum yields at 308 nm\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, IPAN ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IPAN, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.530304E-21, 1.417995E-21, 6.732257E-22, 3.640895E-22, \n & 9.144017E-23, 1.597525E-24, 0.000000E+00 /\n DATA ( CS_REF( IPAN, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.530304E-21, 1.417995E-21, 6.732257E-22, 3.640895E-22, \n & 9.144017E-23, 1.597525E-24, 0.000000E+00 /\n DATA ( CS_REF( IPAN, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.530304E-21, 1.417995E-21, 6.732257E-22, 3.640895E-22, \n & 9.144017E-23, 1.597525E-24, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IPAN, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.009612E-01, 0.000000E+00 /\n DATA ( QY_REF( IPAN, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.009612E-01, 0.000000E+00 /\n DATA ( QY_REF( IPAN, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.009612E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IPAN, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.530304E-21, 1.417995E-21, 6.732257E-22, 3.640895E-22, \n & 9.144017E-23, 1.597507E-24, 0.000000E+00 /\n DATA ( ECS_REF( IPAN, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.530304E-21, 1.417995E-21, 6.732257E-22, 3.640895E-22, \n & 9.144017E-23, 1.597507E-24, 0.000000E+00 /\n DATA ( ECS_REF( IPAN, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.530304E-21, 1.417995E-21, 6.732257E-22, 3.640895E-22, \n & 9.144017E-23, 1.597507E-24, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IPAN, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999891E-01, 0.000000E+00 /\n DATA ( EQY_REF( IPAN, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999891E-01, 0.000000E+00 /\n DATA ( EQY_REF( IPAN, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999891E-01, 0.000000E+00 /\n\n\nC...HCHOR-06\nC.. HCHO + HV = HCO. + H.\nC.. IUPAC Subcommittee on Gas Kinetic Data Evaluation Data Sheet P1\nC.. This datasheet updated: 16th May 2002.\nC.. Website: http://www.iupac-kinetic.ch.cam.ac.uk/.\nC.. IUPAC recommendations used for both absorption cross sections and quantum yield\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, IHCHOR-06 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IHCHOR-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.170091E-20, 3.298359E-20, 1.534647E-20, 3.259232E-20, \n & 1.516326E-20, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IHCHOR-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.170091E-20, 3.298359E-20, 1.534647E-20, 3.259232E-20, \n & 1.516326E-20, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IHCHOR-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.170091E-20, 3.298359E-20, 1.534647E-20, 3.259232E-20, \n & 1.516326E-20, 0.000000E+00, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IHCHOR-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 6.851841E-01, 7.182517E-01, 7.159068E-01, 6.839368E-01, \n & 2.830291E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IHCHOR-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 6.851841E-01, 7.182517E-01, 7.159068E-01, 6.839368E-01, \n & 2.830291E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IHCHOR-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 6.851841E-01, 7.182517E-01, 7.159068E-01, 6.839368E-01, \n & 2.830291E-01, 0.000000E+00, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IHCHOR-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.165855E-20, 2.395182E-20, 1.104784E-20, 2.236374E-20, \n & 5.554417E-21, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IHCHOR-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.165855E-20, 2.395182E-20, 1.104784E-20, 2.236374E-20, \n & 5.554417E-21, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IHCHOR-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.165855E-20, 2.395182E-20, 1.104784E-20, 2.236374E-20, \n & 5.554417E-21, 0.000000E+00, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IHCHOR-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 6.832153E-01, 7.261736E-01, 7.198943E-01, 6.861660E-01, \n & 3.663075E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IHCHOR-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 6.832153E-01, 7.261736E-01, 7.198943E-01, 6.861660E-01, \n & 3.663075E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IHCHOR-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 6.832153E-01, 7.261736E-01, 7.198943E-01, 6.861660E-01, \n & 3.663075E-01, 0.000000E+00, 0.000000E+00 /\n\n\nC...HCHOM-06\nC.. HCHO + HV = H2 + CO\nC.. IUPAC Subcommittee on Gas Kinetic Data Evaluation Data Sheet P1\nC.. This datasheet updated: 16th May 2002.\nC.. Website: http://www.iupac-kinetic.ch.cam.ac.uk/.\nC.. IUPAC recommendations used for both absorption cross sections and quantum yield\nC.. Quantum yields for wl < 0.360 interpolated.\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, IHCHOM-06 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IHCHOM-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.170091E-20, 3.298359E-20, 1.534647E-20, 3.259232E-20, \n & 1.806812E-20, 7.417168E-22, 0.000000E+00 /\n DATA ( CS_REF( IHCHOM-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.170091E-20, 3.298359E-20, 1.534647E-20, 3.259232E-20, \n & 1.806812E-20, 7.417168E-22, 0.000000E+00 /\n DATA ( CS_REF( IHCHOM-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.170091E-20, 3.298359E-20, 1.534647E-20, 3.259232E-20, \n & 1.806812E-20, 7.417168E-22, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IHCHOM-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.954920E-01, 2.804146E-01, 2.842617E-01, 3.165715E-01, \n & 4.879647E-01, 3.037111E-02, 0.000000E+00 /\n DATA ( QY_REF( IHCHOM-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.954920E-01, 2.804146E-01, 2.842617E-01, 3.165715E-01, \n & 4.879647E-01, 3.037111E-02, 0.000000E+00 /\n DATA ( QY_REF( IHCHOM-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.954920E-01, 2.804146E-01, 2.842617E-01, 3.165715E-01, \n & 4.879647E-01, 3.037111E-02, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IHCHOM-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.456174E-21, 8.997082E-21, 4.301534E-21, 1.024255E-20, \n & 8.938719E-21, 1.182693E-22, 0.000000E+00 /\n DATA ( ECS_REF( IHCHOM-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.456174E-21, 8.997082E-21, 4.301534E-21, 1.024255E-20, \n & 8.938719E-21, 1.182693E-22, 0.000000E+00 /\n DATA ( ECS_REF( IHCHOM-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.456174E-21, 8.997082E-21, 4.301534E-21, 1.024255E-20, \n & 8.938719E-21, 1.182693E-22, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IHCHOM-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.982934E-01, 2.727745E-01, 2.802947E-01, 3.142626E-01, \n & 4.947232E-01, 1.594535E-01, 0.000000E+00 /\n DATA ( EQY_REF( IHCHOM-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.982934E-01, 2.727745E-01, 2.802947E-01, 3.142626E-01, \n & 4.947232E-01, 1.594535E-01, 0.000000E+00 /\n DATA ( EQY_REF( IHCHOM-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.982934E-01, 2.727745E-01, 2.802947E-01, 3.142626E-01, \n & 4.947232E-01, 1.594535E-01, 0.000000E+00 /\n\n\nC...CCHO_R\nC.. CCHO + HV = CH3 + CHO\nC.. IUPAC (1997)\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, ICCHO_R ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( ICCHO_R, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.432585E-20, 3.717942E-20, 2.933100E-20, 2.104718E-20, \n & 3.715620E-21, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( ICCHO_R, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.432585E-20, 3.717942E-20, 2.933100E-20, 2.104718E-20, \n & 3.715620E-21, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( ICCHO_R, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.432585E-20, 3.717942E-20, 2.933100E-20, 2.104718E-20, \n & 3.715620E-21, 0.000000E+00, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( ICCHO_R, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.839485E-01, 3.902035E-01, 2.845210E-01, 1.538490E-01, \n & 1.409418E-02, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( ICCHO_R, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.839485E-01, 3.902035E-01, 2.845210E-01, 1.538490E-01, \n & 1.409418E-02, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( ICCHO_R, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.839485E-01, 3.902035E-01, 2.845210E-01, 1.538490E-01, \n & 1.409418E-02, 0.000000E+00, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( ICCHO_R, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.147745E-20, 1.461039E-20, 8.426933E-21, 3.330087E-21, \n & 1.731238E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( ICCHO_R, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.147745E-20, 1.461039E-20, 8.426933E-21, 3.330087E-21, \n & 1.731238E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( ICCHO_R, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.147745E-20, 1.461039E-20, 8.426933E-21, 3.330087E-21, \n & 1.731238E-22, 0.000000E+00, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( ICCHO_R, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.845356E-01, 3.929698E-01, 2.873047E-01, 1.582202E-01, \n & 4.659352E-02, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( ICCHO_R, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.845356E-01, 3.929698E-01, 2.873047E-01, 1.582202E-01, \n & 4.659352E-02, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( ICCHO_R, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.845356E-01, 3.929698E-01, 2.873047E-01, 1.582202E-01, \n & 4.659352E-02, 0.000000E+00, 0.000000E+00 /\n\n\nC...C2CHO\nC.. C2CHO + HV = C2H5. + CHO.\nC.. IUPAC (1997)\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, IC2CHO ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IC2CHO, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.113497E-20, 4.634685E-20, 3.579653E-20, 2.441747E-20, \n & 5.808840E-21, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IC2CHO, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.113497E-20, 4.634685E-20, 3.579653E-20, 2.441747E-20, \n & 5.808840E-21, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IC2CHO, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.113497E-20, 4.634685E-20, 3.579653E-20, 2.441747E-20, \n & 5.808840E-21, 0.000000E+00, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IC2CHO, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.112440E-01, 7.954015E-01, 5.951666E-01, 4.312301E-01, \n & 1.520067E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IC2CHO, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.112440E-01, 7.954015E-01, 5.951666E-01, 4.312301E-01, \n & 1.520067E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IC2CHO, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.112440E-01, 7.954015E-01, 5.951666E-01, 4.312301E-01, \n & 1.520067E-01, 0.000000E+00, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IC2CHO, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.730259E-20, 3.713793E-20, 2.133678E-20, 1.077363E-20, \n & 1.383935E-21, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IC2CHO, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.730259E-20, 3.713793E-20, 2.133678E-20, 1.077363E-20, \n & 1.383935E-21, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IC2CHO, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.730259E-20, 3.713793E-20, 2.133678E-20, 1.077363E-20, \n & 1.383935E-21, 0.000000E+00, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IC2CHO, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.769110E-01, 8.013043E-01, 5.960574E-01, 4.412262E-01, \n & 2.382463E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IC2CHO, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.769110E-01, 8.013043E-01, 5.960574E-01, 4.412262E-01, \n & 2.382463E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IC2CHO, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.769110E-01, 8.013043E-01, 5.960574E-01, 4.412262E-01, \n & 2.382463E-01, 0.000000E+00, 0.000000E+00 /\n\n\nC...ACET-06\nC.. CH3-CO-CH3 + HV = Radical products\nC.. IUPAC Subcommittee on Gas Kinetic Data Evaluation Data Sheet P7\nC.. This datasheet updated: 19th December 2005.\nC.. Website: http://www.iupac-kinetic.ch.cam.ac.uk/.\nC.. IUPAC recommendations used for both absorption cross sections and quantum yield\nC.. Cross sections and quantum yields are for 298K only.\nC.. Uncertain whether the cross sections are calculated correctly from the complex\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, IACET-06 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IACET-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.464056E-20, 2.276632E-20, 1.367790E-20, 7.373154E-21, \n & 8.850663E-22, 8.179758E-25, 0.000000E+00 /\n DATA ( CS_REF( IACET-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.464056E-20, 2.276632E-20, 1.367790E-20, 7.373154E-21, \n & 8.850663E-22, 8.179758E-25, 0.000000E+00 /\n DATA ( CS_REF( IACET-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.464056E-20, 2.276632E-20, 1.367790E-20, 7.373154E-21, \n & 8.850663E-22, 8.179758E-25, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IACET-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.457705E-01, 2.094483E-01, 8.573302E-02, 3.882164E-02, \n & 9.387449E-03, 1.342109E-04, 0.000000E+00 /\n DATA ( QY_REF( IACET-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.457705E-01, 2.094483E-01, 8.573302E-02, 3.882164E-02, \n & 9.387449E-03, 1.342109E-04, 0.000000E+00 /\n DATA ( QY_REF( IACET-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.457705E-01, 2.094483E-01, 8.573302E-02, 3.882164E-02, \n & 9.387449E-03, 1.342109E-04, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IACET-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.207276E-20, 4.950919E-21, 1.203542E-21, 3.067027E-22, \n & 1.419293E-23, 2.303094E-27, 0.000000E+00 /\n DATA ( ECS_REF( IACET-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.207276E-20, 4.950919E-21, 1.203542E-21, 3.067027E-22, \n & 1.419293E-23, 2.303094E-27, 0.000000E+00 /\n DATA ( ECS_REF( IACET-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.207276E-20, 4.950919E-21, 1.203542E-21, 3.067027E-22, \n & 1.419293E-23, 2.303094E-27, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IACET-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.485150E-01, 2.174668E-01, 8.799174E-02, 4.159722E-02, \n & 1.603600E-02, 2.815602E-03, 0.000000E+00 /\n DATA ( EQY_REF( IACET-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.485150E-01, 2.174668E-01, 8.799174E-02, 4.159722E-02, \n & 1.603600E-02, 2.815602E-03, 0.000000E+00 /\n DATA ( EQY_REF( IACET-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.485150E-01, 2.174668E-01, 8.799174E-02, 4.159722E-02, \n & 1.603600E-02, 2.815602E-03, 0.000000E+00 /\n\n\nC...MEK-06\nC.. MEK absorption cross sections\nC.. IUPAC Subcommittee on Gas Kinetic Data Evaluation Data Sheet P8\nC.. This datasheet updated: 5th December 2005.\nC.. Website: http://www.iupac-kinetic.ch.cam.ac.uk/.\nC.. Note that recommended quantum yield is 0.34 and SAPRC07T sets\nC.. value to 0.175 in mechanism definition file\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, IMEK-06 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IMEK-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.166522E-20, 2.686873E-20, 1.573254E-20, 7.723394E-21, \n & 8.067071E-22, 1.610022E-25, 0.000000E+00 /\n DATA ( CS_REF( IMEK-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.166522E-20, 2.686873E-20, 1.573254E-20, 7.723394E-21, \n & 8.067071E-22, 1.610022E-25, 0.000000E+00 /\n DATA ( CS_REF( IMEK-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.166522E-20, 2.686873E-20, 1.573254E-20, 7.723394E-21, \n & 8.067071E-22, 1.610022E-25, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IMEK-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 2.161979E-02, 0.000000E+00 /\n DATA ( QY_REF( IMEK-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 2.161979E-02, 0.000000E+00 /\n DATA ( QY_REF( IMEK-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 2.161979E-02, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IMEK-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.166522E-20, 2.686873E-20, 1.573254E-20, 7.723394E-21, \n & 8.067071E-22, 1.609663E-25, 0.000000E+00 /\n DATA ( ECS_REF( IMEK-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.166522E-20, 2.686873E-20, 1.573254E-20, 7.723394E-21, \n & 8.067071E-22, 1.609663E-25, 0.000000E+00 /\n DATA ( ECS_REF( IMEK-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.166522E-20, 2.686873E-20, 1.573254E-20, 7.723394E-21, \n & 8.067071E-22, 1.609663E-25, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IMEK-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.997768E-01, 0.000000E+00 /\n DATA ( EQY_REF( IMEK-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.997768E-01, 0.000000E+00 /\n DATA ( EQY_REF( IMEK-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.997768E-01, 0.000000E+00 /\n\n\nC...COOH\nC.. CH3OOH + HV = PRODUCTS\nC.. IUPAC (1997). Also recommend unit quantum yields.\nC.. wl abs qy\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, ICOOH ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( ICOOH, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.623467E-21, 3.524637E-21, 2.410332E-21, 1.699590E-21, \n & 7.230011E-22, 5.395106E-23, 0.000000E+00 /\n DATA ( CS_REF( ICOOH, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.623467E-21, 3.524637E-21, 2.410332E-21, 1.699590E-21, \n & 7.230011E-22, 5.395106E-23, 0.000000E+00 /\n DATA ( CS_REF( ICOOH, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.623467E-21, 3.524637E-21, 2.410332E-21, 1.699590E-21, \n & 7.230011E-22, 5.395106E-23, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( ICOOH, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 3.016710E-01, 0.000000E+00 /\n DATA ( QY_REF( ICOOH, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 3.016710E-01, 0.000000E+00 /\n DATA ( QY_REF( ICOOH, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 3.016710E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( ICOOH, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.623467E-21, 3.524637E-21, 2.410332E-21, 1.699590E-21, \n & 7.230011E-22, 5.395094E-23, 0.000000E+00 /\n DATA ( ECS_REF( ICOOH, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.623467E-21, 3.524637E-21, 2.410332E-21, 1.699590E-21, \n & 7.230011E-22, 5.395094E-23, 0.000000E+00 /\n DATA ( ECS_REF( ICOOH, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.623467E-21, 3.524637E-21, 2.410332E-21, 1.699590E-21, \n & 7.230011E-22, 5.395094E-23, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( ICOOH, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999977E-01, 0.000000E+00 /\n DATA ( EQY_REF( ICOOH, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999977E-01, 0.000000E+00 /\n DATA ( EQY_REF( ICOOH, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999977E-01, 0.000000E+00 /\n\n\nC...GLY-07R\nC.. HCOCHO + HV = HCO. + HCO.\nC.. Absorption cross sections from Volkamer, R., P. Spietz, J. Burrows, and\nC.. U. Platt (2005): \"High-resolution absorption cross sections of glyoxal\nC.. in the UV-vis and IR spectral ranges,\" J. Photochem. Photobiol. A, 172\nC.. 35-46. Quantum yields at wavelengths below 350 nm based on the data of\nC.. Zhu et al (1996) which are consistent with the data of Langford and\nC.. Moore (1984). Quantum yields at higher wavelengths assumed to decline\nC.. expodentially with wavelength at a rate that gives a photolysis rate\nC.. relative to NO2 consistent with the data of Klotz et al (2000).\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, IGLY-07R ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IGLY-07R, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.792119E-20, 3.572107E-20, 3.194427E-20, 2.574261E-20, \n & 1.106790E-20, 2.757140E-20, 1.054196E-20 /\n DATA ( CS_REF( IGLY-07R, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.792119E-20, 3.572107E-20, 3.194427E-20, 2.574261E-20, \n & 1.106790E-20, 2.757140E-20, 1.054196E-20 /\n DATA ( CS_REF( IGLY-07R, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.792119E-20, 3.572107E-20, 3.194427E-20, 2.574261E-20, \n & 1.106790E-20, 2.757140E-20, 1.054196E-20 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IGLY-07R, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.321564E-01, 3.435688E-01, 3.690098E-01, 4.286591E-01, \n & 5.846431E-01, 2.414760E-01, 1.331259E-03 /\n DATA ( QY_REF( IGLY-07R, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.321564E-01, 3.435688E-01, 3.690098E-01, 4.286591E-01, \n & 5.846431E-01, 2.414760E-01, 1.331259E-03 /\n DATA ( QY_REF( IGLY-07R, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.321564E-01, 3.435688E-01, 3.690098E-01, 4.286591E-01, \n & 5.846431E-01, 2.414760E-01, 1.331259E-03 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IGLY-07R, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.259928E-20, 1.226096E-20, 1.179648E-20, 1.092394E-20, \n & 6.158664E-21, 3.111815E-21, 1.360344E-22 /\n DATA ( ECS_REF( IGLY-07R, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.259928E-20, 1.226096E-20, 1.179648E-20, 1.092394E-20, \n & 6.158664E-21, 3.111815E-21, 1.360344E-22 /\n DATA ( ECS_REF( IGLY-07R, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.259928E-20, 1.226096E-20, 1.179648E-20, 1.092394E-20, \n & 6.158664E-21, 3.111815E-21, 1.360344E-22 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IGLY-07R, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.322492E-01, 3.432416E-01, 3.692832E-01, 4.243522E-01, \n & 5.564439E-01, 1.128639E-01, 1.290409E-02 /\n DATA ( EQY_REF( IGLY-07R, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.322492E-01, 3.432416E-01, 3.692832E-01, 4.243522E-01, \n & 5.564439E-01, 1.128639E-01, 1.290409E-02 /\n DATA ( EQY_REF( IGLY-07R, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.322492E-01, 3.432416E-01, 3.692832E-01, 4.243522E-01, \n & 5.564439E-01, 1.128639E-01, 1.290409E-02 /\n\n\nC...GLY-07M\nC.. HCOCHO + HV = HCHO + H2\nC.. Absorption cross sections from Volkamer, R., P. Spietz, J. Burrows,\nC.. and U. Platt (2005): \"High-resolution absorption cross sections of\nC.. glyoxal in the UV-vis and IR spectral ranges,\" J. Photochem. Photobiol.\nC.. A, 172 35-46. Quantum yields at wavelengths below 350 nm derived from\nC.. those used for the radical forming process assuming total quantum\nC.. yields of 1. Quantum yields at higher wavelengths assumed to decline\nC.. expodentially at a rate that gives a 13% formaldehyde yield telative to\nC.. photodecomposition under the conditions of Plum et al (1983).\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, IGLY-07M ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IGLY-07M, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.792119E-20, 3.572107E-20, 3.194427E-20, 2.574261E-20, \n & 1.106790E-20, 2.757140E-20, 3.572529E-21 /\n DATA ( CS_REF( IGLY-07M, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.792119E-20, 3.572107E-20, 3.194427E-20, 2.574261E-20, \n & 1.106790E-20, 2.757140E-20, 3.572529E-21 /\n DATA ( CS_REF( IGLY-07M, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.792119E-20, 3.572107E-20, 3.194427E-20, 2.574261E-20, \n & 1.106790E-20, 2.757140E-20, 3.572529E-21 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IGLY-07M, 1, IWLR ), IWLR = 1, 7 ) /\n & 6.678436E-01, 6.564312E-01, 6.310091E-01, 5.714539E-01, \n & 4.154251E-01, 6.007640E-02, 5.018775E-05 /\n DATA ( QY_REF( IGLY-07M, 1, IWLR ), IWLR = 1, 7 ) /\n & 6.678436E-01, 6.564312E-01, 6.310091E-01, 5.714539E-01, \n & 4.154251E-01, 6.007640E-02, 5.018775E-05 /\n DATA ( QY_REF( IGLY-07M, 1, IWLR ), IWLR = 1, 7 ) /\n & 6.678436E-01, 6.564312E-01, 6.310091E-01, 5.714539E-01, \n & 4.154251E-01, 6.007640E-02, 5.018775E-05 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IGLY-07M, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.532190E-20, 2.346011E-20, 2.014842E-20, 1.482247E-20, \n & 4.909981E-21, 5.296760E-22, 4.592913E-24 /\n DATA ( ECS_REF( IGLY-07M, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.532190E-20, 2.346011E-20, 2.014842E-20, 1.482247E-20, \n & 4.909981E-21, 5.296760E-22, 4.592913E-24 /\n DATA ( ECS_REF( IGLY-07M, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.532190E-20, 2.346011E-20, 2.014842E-20, 1.482247E-20, \n & 4.909981E-21, 5.296760E-22, 4.592913E-24 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IGLY-07M, 1, IWLR ), IWLR = 1, 7 ) /\n & 6.677508E-01, 6.567584E-01, 6.307366E-01, 5.757951E-01, \n & 4.436235E-01, 1.921107E-02, 1.285619E-03 /\n DATA ( EQY_REF( IGLY-07M, 1, IWLR ), IWLR = 1, 7 ) /\n & 6.677508E-01, 6.567584E-01, 6.307366E-01, 5.757951E-01, \n & 4.436235E-01, 1.921107E-02, 1.285619E-03 /\n DATA ( EQY_REF( IGLY-07M, 1, IWLR ), IWLR = 1, 7 ) /\n & 6.677508E-01, 6.567584E-01, 6.307366E-01, 5.757951E-01, \n & 4.436235E-01, 1.921107E-02, 1.285619E-03 /\n\n\nC...MGLY-06\nC.. CH3COCHO + HV = CH3CO. + HCO.\nC.. IUPAC Subcommittee on Gas Kinetic Data Evaluation Data Sheet P6\nC.. This datasheet updated: 16th January 2003.\nC.. Website: http://www.iupac-kinetic.ch.cam.ac.uk/.\nC.. Quantum yield calculated from the expression given for 472 torr N2.\nC.. This \"pressure\" adjustment was made so the calculated photlysis rates\nC.. for solar conditions would agree with the data of Klotz et al (2000)\nC.. for the Euphore outdoor chamber.\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, IMGLY-06 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IMGLY-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.380390E-20, 3.467067E-20, 2.430921E-20, 1.788231E-20, \n & 6.183693E-21, 3.700272E-20, 7.910760E-21 /\n DATA ( CS_REF( IMGLY-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.380390E-20, 3.467067E-20, 2.430921E-20, 1.788231E-20, \n & 6.183693E-21, 3.700272E-20, 7.910760E-21 /\n DATA ( CS_REF( IMGLY-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.380390E-20, 3.467067E-20, 2.430921E-20, 1.788231E-20, \n & 6.183693E-21, 3.700272E-20, 7.910760E-21 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IMGLY-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.565113E-01, 9.283987E-01, 8.962741E-01, 8.564201E-01, \n & 7.065107E-01, 2.411670E-01, 3.970910E-03 /\n DATA ( QY_REF( IMGLY-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.565113E-01, 9.283987E-01, 8.962741E-01, 8.564201E-01, \n & 7.065107E-01, 2.411670E-01, 3.970910E-03 /\n DATA ( QY_REF( IMGLY-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.565113E-01, 9.283987E-01, 8.962741E-01, 8.564201E-01, \n & 7.065107E-01, 2.411670E-01, 3.970910E-03 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IMGLY-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.191152E-20, 3.221660E-20, 2.180538E-20, 1.534381E-20, \n & 4.571315E-21, 5.327236E-21, 3.199067E-22 /\n DATA ( ECS_REF( IMGLY-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.191152E-20, 3.221660E-20, 2.180538E-20, 1.534381E-20, \n & 4.571315E-21, 5.327236E-21, 3.199067E-22 /\n DATA ( ECS_REF( IMGLY-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.191152E-20, 3.221660E-20, 2.180538E-20, 1.534381E-20, \n & 4.571315E-21, 5.327236E-21, 3.199067E-22 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IMGLY-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.567987E-01, 9.292175E-01, 8.970009E-01, 8.580443E-01, \n & 7.392532E-01, 1.439688E-01, 4.043943E-02 /\n DATA ( EQY_REF( IMGLY-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.567987E-01, 9.292175E-01, 8.970009E-01, 8.580443E-01, \n & 7.392532E-01, 1.439688E-01, 4.043943E-02 /\n DATA ( EQY_REF( IMGLY-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.567987E-01, 9.292175E-01, 8.970009E-01, 8.580443E-01, \n & 7.392532E-01, 1.439688E-01, 4.043943E-02 /\n\n\nC...BACL-07\nC.. CH3COCOCH3 + HV = 2 CH3CO.\nC.. Absorption cross sections from Plum et al (1983) as used in SAPRC-99\nC.. mechanism. Quantum yields calculated using the IUPAC (2005)-recommended\nC.. expression for the pressure and wavelength-dependence quantum yields for\nC.. methyl glyoxal, but with the effective presssure adjusted so the\nC.. photolysis rate, relative to that for NO2, under ambient conditions is\nC.. consistent with that measured by Klotz et al (2000) in the Euphore outdoor\nC.. chamber.\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, IBACL-07 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IBACL-07, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.658382E-20, 1.613233E-20, 9.254848E-21, 6.071219E-21, \n & 4.661718E-21, 3.201370E-20, 4.709774E-21 /\n DATA ( CS_REF( IBACL-07, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.658382E-20, 1.613233E-20, 9.254848E-21, 6.071219E-21, \n & 4.661718E-21, 3.201370E-20, 4.709774E-21 /\n DATA ( CS_REF( IBACL-07, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.658382E-20, 1.613233E-20, 9.254848E-21, 6.071219E-21, \n & 4.661718E-21, 3.201370E-20, 4.709774E-21 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IBACL-07, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.894449E-01, 9.817067E-01, 9.728644E-01, 9.609106E-01, \n & 9.065533E-01, 4.913755E-01, 9.660122E-03 /\n DATA ( QY_REF( IBACL-07, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.894449E-01, 9.817067E-01, 9.728644E-01, 9.609106E-01, \n & 9.065533E-01, 4.913755E-01, 9.660122E-03 /\n DATA ( QY_REF( IBACL-07, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.894449E-01, 9.817067E-01, 9.728644E-01, 9.609106E-01, \n & 9.065533E-01, 4.913755E-01, 9.660122E-03 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IBACL-07, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.630799E-20, 1.584374E-20, 9.006381E-21, 5.836851E-21, \n & 4.210304E-21, 1.187160E-20, 4.906408E-22 /\n DATA ( ECS_REF( IBACL-07, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.630799E-20, 1.584374E-20, 9.006381E-21, 5.836851E-21, \n & 4.210304E-21, 1.187160E-20, 4.906408E-22 /\n DATA ( ECS_REF( IBACL-07, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.630799E-20, 1.584374E-20, 9.006381E-21, 5.836851E-21, \n & 4.210304E-21, 1.187160E-20, 4.906408E-22 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IBACL-07, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.896241E-01, 9.821110E-01, 9.731528E-01, 9.613968E-01, \n & 9.031659E-01, 3.708288E-01, 1.041750E-01 /\n DATA ( EQY_REF( IBACL-07, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.896241E-01, 9.821110E-01, 9.731528E-01, 9.613968E-01, \n & 9.031659E-01, 3.708288E-01, 1.041750E-01 /\n DATA ( EQY_REF( IBACL-07, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.896241E-01, 9.821110E-01, 9.731528E-01, 9.613968E-01, \n & 9.031659E-01, 3.708288E-01, 1.041750E-01 /\n\n\nC...BALD-06\nC.. Benzaldehyde absorption cross sections recommended by Calvert et al (2002)\nC.. From Lang (1961-1971) in hexane solution\nC..\nC.. Note that recommended quantum ranges from 0,14 to 0,4 and SAPRC07T sets\nC.. value to 0.060 in mechanism definition file\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, IBALD-06 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IBALD-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.452234E-19, 7.297681E-20, 7.090584E-20, 8.592445E-20, \n & 9.197928E-20, 1.679406E-20, 0.000000E+00 /\n DATA ( CS_REF( IBALD-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.452234E-19, 7.297681E-20, 7.090584E-20, 8.592445E-20, \n & 9.197928E-20, 1.679406E-20, 0.000000E+00 /\n DATA ( CS_REF( IBALD-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.452234E-19, 7.297681E-20, 7.090584E-20, 8.592445E-20, \n & 9.197928E-20, 1.679406E-20, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IBALD-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 4.275655E-01, 0.000000E+00 /\n DATA ( QY_REF( IBALD-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 4.275655E-01, 0.000000E+00 /\n DATA ( QY_REF( IBALD-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 4.275655E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IBALD-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.452234E-19, 7.297681E-20, 7.090584E-20, 8.592445E-20, \n & 9.197928E-20, 1.679405E-20, 0.000000E+00 /\n DATA ( ECS_REF( IBALD-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.452234E-19, 7.297681E-20, 7.090584E-20, 8.592445E-20, \n & 9.197928E-20, 1.679405E-20, 0.000000E+00 /\n DATA ( ECS_REF( IBALD-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.452234E-19, 7.297681E-20, 7.090584E-20, 8.592445E-20, \n & 9.197928E-20, 1.679405E-20, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IBALD-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999992E-01, 0.000000E+00 /\n DATA ( EQY_REF( IBALD-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999992E-01, 0.000000E+00 /\n DATA ( EQY_REF( IBALD-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999992E-01, 0.000000E+00 /\n\n\nC...AFG1\nC.. Photolysis of lumped photoreactive aromatic unsaturated dicarbonyl product.\nC.. Based on 31.6% BUTEDIAL and 68.4% 4OX2PEAL with QY(BUTEDIAL) = 0.723 and\nC.. QY(4OX2PEAL) = 1.000\nC.. From h:\\mech\\saprc06\\phf.xls, \"AFG1\" sheet and based on\nC.. h:\\mech\\saprc06\\aroprods.xls\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, IAFG1 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IAFG1, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.731772E-18, 1.412651E-18, 1.107261E-18, 8.915006E-19, \n & 5.026286E-19, 1.273167E-19, 1.232365E-21 /\n DATA ( CS_REF( IAFG1, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.731772E-18, 1.412651E-18, 1.107261E-18, 8.915006E-19, \n & 5.026286E-19, 1.273167E-19, 1.232365E-21 /\n DATA ( CS_REF( IAFG1, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.731772E-18, 1.412651E-18, 1.107261E-18, 8.915006E-19, \n & 5.026286E-19, 1.273167E-19, 1.232365E-21 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IAFG1, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.135570E-01 /\n DATA ( QY_REF( IAFG1, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.135570E-01 /\n DATA ( QY_REF( IAFG1, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.135570E-01 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IAFG1, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.731772E-18, 1.412651E-18, 1.107261E-18, 8.915006E-19, \n & 5.026286E-19, 1.273167E-19, 1.232365E-21 /\n DATA ( ECS_REF( IAFG1, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.731772E-18, 1.412651E-18, 1.107261E-18, 8.915006E-19, \n & 5.026286E-19, 1.273167E-19, 1.232365E-21 /\n DATA ( ECS_REF( IAFG1, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.731772E-18, 1.412651E-18, 1.107261E-18, 8.915006E-19, \n & 5.026286E-19, 1.273167E-19, 1.232365E-21 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IAFG1, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.999999E-01 /\n DATA ( EQY_REF( IAFG1, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.999999E-01 /\n DATA ( EQY_REF( IAFG1, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.999999E-01 /\n\n\nC...MACR-06\nC.. Methacrolein total photolysis\nC.. Absorption cross sections from IUPAC Subcommittee on Gas Kinetic Data Evaluatio\nC.. Website: http://www.iupac-kinetic.ch.cam.ac.uk/. This datasheet updated: 16th M\nC.. The quantum yields were derived using the pressure and wavelength-dependent\nC.. expression given by IUPAC (2005) for MVK, with the total pressure adjusted so\nC.. that the radical forming photolysis rates for the chamber experiments are the\nC.. same as those that fit the chamber data.\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, IMACR-06 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IMACR-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.639069E-20, 3.936243E-20, 4.989643E-20, 5.926217E-20, \n & 6.528435E-20, 1.326859E-20, 0.000000E+00 /\n DATA ( CS_REF( IMACR-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.639069E-20, 3.936243E-20, 4.989643E-20, 5.926217E-20, \n & 6.528435E-20, 1.326859E-20, 0.000000E+00 /\n DATA ( CS_REF( IMACR-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.639069E-20, 3.936243E-20, 4.989643E-20, 5.926217E-20, \n & 6.528435E-20, 1.326859E-20, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IMACR-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.901070E-02, 3.073936E-02, 2.101928E-02, 1.479159E-02, \n & 6.251543E-03, 5.827899E-04, 0.000000E+00 /\n DATA ( QY_REF( IMACR-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.901070E-02, 3.073936E-02, 2.101928E-02, 1.479159E-02, \n & 6.251543E-03, 5.827899E-04, 0.000000E+00 /\n DATA ( QY_REF( IMACR-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.901070E-02, 3.073936E-02, 2.101928E-02, 1.479159E-02, \n & 6.251543E-03, 5.827899E-04, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IMACR-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.276398E-21, 1.192333E-21, 1.045257E-21, 8.708165E-22, \n & 4.101440E-22, 2.057185E-23, 0.000000E+00 /\n DATA ( ECS_REF( IMACR-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.276398E-21, 1.192333E-21, 1.045257E-21, 8.708165E-22, \n & 4.101440E-22, 2.057185E-23, 0.000000E+00 /\n DATA ( ECS_REF( IMACR-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.276398E-21, 1.192333E-21, 1.045257E-21, 8.708165E-22, \n & 4.101440E-22, 2.057185E-23, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IMACR-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.836546E-02, 3.029115E-02, 2.094852E-02, 1.469431E-02, \n & 6.282425E-03, 1.550417E-03, 0.000000E+00 /\n DATA ( EQY_REF( IMACR-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.836546E-02, 3.029115E-02, 2.094852E-02, 1.469431E-02, \n & 6.282425E-03, 1.550417E-03, 0.000000E+00 /\n DATA ( EQY_REF( IMACR-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.836546E-02, 3.029115E-02, 2.094852E-02, 1.469431E-02, \n & 6.282425E-03, 1.550417E-03, 0.000000E+00 /\n\n\nC...MVK-06\nC.. MVK total photolysis\nC.. IUPAC Subcommittee on Gas Kinetic Data Evaluation Data Sheet P10\nC.. Website: http://www.iupac-kinetic.ch.cam.ac.uk/\nC.. This datasheet updated: 9th August 2002.\nC.. Decline in absorption cross sections with wavelength above 395 nm estimated by\nC.. linear interpolation.\nC.. Quantum yields for all photodecomposition processes. IUPAC recommends ~60% for\nC.. propene formation, rest radical forming routes.\nC.. Quantum yields calculated for 1 atm overpredicts photolysis rates for chamber\nC.. experiments that gives best fits to data. Effective pressure increased to 5 atm\nC.. to give overall quantum yields that are consistent with modeling chamber data.\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, IMVK-06 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IMVK-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.041510E-20, 4.373023E-20, 5.436502E-20, 6.318696E-20, \n & 6.828636E-20, 8.068906E-21, 0.000000E+00 /\n DATA ( CS_REF( IMVK-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.041510E-20, 4.373023E-20, 5.436502E-20, 6.318696E-20, \n & 6.828636E-20, 8.068906E-21, 0.000000E+00 /\n DATA ( CS_REF( IMVK-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.041510E-20, 4.373023E-20, 5.436502E-20, 6.318696E-20, \n & 6.828636E-20, 8.068906E-21, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IMVK-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.750364E-02, 1.113042E-02, 7.578346E-03, 5.286950E-03, \n & 2.238235E-03, 1.619938E-04, 0.000000E+00 /\n DATA ( QY_REF( IMVK-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.750364E-02, 1.113042E-02, 7.578346E-03, 5.286950E-03, \n & 2.238235E-03, 1.619938E-04, 0.000000E+00 /\n DATA ( QY_REF( IMVK-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.750364E-02, 1.113042E-02, 7.578346E-03, 5.286950E-03, \n & 2.238235E-03, 1.619938E-04, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IMVK-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.264576E-22, 4.799989E-22, 4.109027E-22, 3.323400E-22, \n & 1.546971E-22, 7.827994E-24, 0.000000E+00 /\n DATA ( ECS_REF( IMVK-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.264576E-22, 4.799989E-22, 4.109027E-22, 3.323400E-22, \n & 1.546971E-22, 7.827994E-24, 0.000000E+00 /\n DATA ( ECS_REF( IMVK-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.264576E-22, 4.799989E-22, 4.109027E-22, 3.323400E-22, \n & 1.546971E-22, 7.827994E-24, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IMVK-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.730908E-02, 1.097636E-02, 7.558218E-03, 5.259628E-03, \n & 2.265417E-03, 9.701432E-04, 0.000000E+00 /\n DATA ( EQY_REF( IMVK-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.730908E-02, 1.097636E-02, 7.558218E-03, 5.259628E-03, \n & 2.265417E-03, 9.701432E-04, 0.000000E+00 /\n DATA ( EQY_REF( IMVK-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.730908E-02, 1.097636E-02, 7.558218E-03, 5.259628E-03, \n & 2.265417E-03, 9.701432E-04, 0.000000E+00 /\n\n\nC...IC3ONO2\nC.. ! I-C3H7ONO2 + HV = PRODUCTS\nC.. IUPAC (1997). Recommend assuming unit quantum yields.\nC.. This has stronger absorption than n-C3-ONO2 and lower nitrates,\nC.. but chosen as representative of lumped higher nitrates.\nC.. wl abs\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, IIC3ONO2 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IIC3ONO2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.255485E-20, 6.352151E-21, 3.286583E-21, 1.709812E-21, \n & 2.667190E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IIC3ONO2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.255485E-20, 6.352151E-21, 3.286583E-21, 1.709812E-21, \n & 2.667190E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IIC3ONO2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.255485E-20, 6.352151E-21, 3.286583E-21, 1.709812E-21, \n & 2.667190E-22, 0.000000E+00, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IIC3ONO2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 5.754197E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IIC3ONO2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 5.754197E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IIC3ONO2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 5.754197E-01, 0.000000E+00, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IIC3ONO2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.255485E-20, 6.352151E-21, 3.286583E-21, 1.709812E-21, \n & 2.667181E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IIC3ONO2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.255485E-20, 6.352151E-21, 3.286583E-21, 1.709812E-21, \n & 2.667181E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IIC3ONO2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.255485E-20, 6.352151E-21, 3.286583E-21, 1.709812E-21, \n & 2.667181E-22, 0.000000E+00, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IIC3ONO2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.999965E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IIC3ONO2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.999965E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IIC3ONO2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.999965E-01, 0.000000E+00, 0.000000E+00 /\n\n\nC...HOCCHO_IUPAC\nC.. HOCH2CHO + hv ---> products\t\t\nC.. IUPAC (2002) based on Bacher et al (2001), J. Atm. Chem, 39, 171.\nC.. quantum yield = 0.75+/-0.25\t\t\nC.. lambda(nm) xcross(1.E+20*cm2) yield\t\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, IHOCCHO_IUPAC ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IHOCCHO_IUPAC, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.704784E-20, 2.277375E-20, 1.257585E-20, 5.852386E-21, \n & 6.512001E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IHOCCHO_IUPAC, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.704784E-20, 2.277375E-20, 1.257585E-20, 5.852386E-21, \n & 6.512001E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IHOCCHO_IUPAC, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.704784E-20, 2.277375E-20, 1.257585E-20, 5.852386E-21, \n & 6.512001E-22, 0.000000E+00, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IHOCCHO_IUPAC, 1, IWLR ), IWLR = 1, 7 ) /\n & 7.500000E-01, 7.500000E-01, 7.500000E-01, 7.500000E-01, \n & 4.315647E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IHOCCHO_IUPAC, 1, IWLR ), IWLR = 1, 7 ) /\n & 7.500000E-01, 7.500000E-01, 7.500000E-01, 7.500000E-01, \n & 4.315647E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IHOCCHO_IUPAC, 1, IWLR ), IWLR = 1, 7 ) /\n & 7.500000E-01, 7.500000E-01, 7.500000E-01, 7.500000E-01, \n & 4.315647E-01, 0.000000E+00, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IHOCCHO_IUPAC, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.778588E-20, 1.708031E-20, 9.431886E-21, 4.389290E-21, \n & 4.882505E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IHOCCHO_IUPAC, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.778588E-20, 1.708031E-20, 9.431886E-21, 4.389290E-21, \n & 4.882505E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IHOCCHO_IUPAC, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.778588E-20, 1.708031E-20, 9.431886E-21, 4.389290E-21, \n & 4.882505E-22, 0.000000E+00, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IHOCCHO_IUPAC, 1, IWLR ), IWLR = 1, 7 ) /\n & 7.500000E-01, 7.500000E-01, 7.500000E-01, 7.500000E-01, \n & 7.497704E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IHOCCHO_IUPAC, 1, IWLR ), IWLR = 1, 7 ) /\n & 7.500000E-01, 7.500000E-01, 7.500000E-01, 7.500000E-01, \n & 7.497704E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IHOCCHO_IUPAC, 1, IWLR ), IWLR = 1, 7 ) /\n & 7.500000E-01, 7.500000E-01, 7.500000E-01, 7.500000E-01, \n & 7.497704E-01, 0.000000E+00, 0.000000E+00 /\n\n\nC...ACRO-09\nC.. ! Chemical Kinetics and Photochemical Data for Use in Atmospheric Studies\nC.. Evaluation Number 15. JPL Publication 06-2. July 10, 2006\nC.. The quantum yields were derived using the pressure and wavelength-dependent\nC.. expression given by IUPAC (2005) for MVK,\nC.. with the total pressure adjusted so that the radical forming photolysis rates\nC.. for the chamber experiments are the same as those that fit the chamber data.\nC.. Adjusted pressure = 1.50 atm.\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, IACRO-09 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IACRO-09, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.856131E-20, 2.787986E-20, 3.602617E-20, 4.321522E-20, \n & 5.371940E-20, 1.543856E-20, 0.000000E+00 /\n DATA ( CS_REF( IACRO-09, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.856131E-20, 2.787986E-20, 3.602617E-20, 4.321522E-20, \n & 5.371940E-20, 1.543856E-20, 0.000000E+00 /\n DATA ( CS_REF( IACRO-09, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.856131E-20, 2.787986E-20, 3.602617E-20, 4.321522E-20, \n & 5.371940E-20, 1.543856E-20, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IACRO-09, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.332907E-02, 3.341171E-02, 2.275740E-02, 1.604886E-02, \n & 6.814506E-03, 6.657416E-04, 0.000000E+00 /\n DATA ( QY_REF( IACRO-09, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.332907E-02, 3.341171E-02, 2.275740E-02, 1.604886E-02, \n & 6.814506E-03, 6.657416E-04, 0.000000E+00 /\n DATA ( QY_REF( IACRO-09, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.332907E-02, 3.341171E-02, 2.275740E-02, 1.604886E-02, \n & 6.814506E-03, 6.657416E-04, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IACRO-09, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.780047E-22, 9.183047E-22, 8.156431E-22, 6.894450E-22, \n & 3.635462E-22, 2.508367E-23, 0.000000E+00 /\n DATA ( ECS_REF( IACRO-09, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.780047E-22, 9.183047E-22, 8.156431E-22, 6.894450E-22, \n & 3.635462E-22, 2.508367E-23, 0.000000E+00 /\n DATA ( ECS_REF( IACRO-09, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.780047E-22, 9.183047E-22, 8.156431E-22, 6.894450E-22, \n & 3.635462E-22, 2.508367E-23, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IACRO-09, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.269049E-02, 3.293793E-02, 2.264030E-02, 1.595376E-02, \n & 6.767503E-03, 1.624741E-03, 0.000000E+00 /\n DATA ( EQY_REF( IACRO-09, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.269049E-02, 3.293793E-02, 2.264030E-02, 1.595376E-02, \n & 6.767503E-03, 1.624741E-03, 0.000000E+00 /\n DATA ( EQY_REF( IACRO-09, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.269049E-02, 3.293793E-02, 2.264030E-02, 1.595376E-02, \n & 6.767503E-03, 1.624741E-03, 0.000000E+00 /\n\n\nC...PAA\nC.. Peroxy acetic acid absorption cross sections\nC.. Orlando, J. J. and G. S. Tyndall (2003): \"Gas phase UV absorption spectra\nC.. for peracetic acid, and for acetic acid monomers and dimers,\" J. Photochem.\nC.. Photobiol A, 157, 161-166.\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, IPAA ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IPAA, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.880975E-21, 9.984305E-22, 5.884868E-22, 3.735135E-22, \n & 1.059119E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IPAA, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.880975E-21, 9.984305E-22, 5.884868E-22, 3.735135E-22, \n & 1.059119E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IPAA, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.880975E-21, 9.984305E-22, 5.884868E-22, 3.735135E-22, \n & 1.059119E-22, 0.000000E+00, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IPAA, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.624107E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IPAA, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.624107E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IPAA, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.624107E-01, 0.000000E+00, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IPAA, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.880975E-21, 9.984305E-22, 5.884868E-22, 3.735135E-22, \n & 1.059117E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IPAA, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.880975E-21, 9.984305E-22, 5.884868E-22, 3.735135E-22, \n & 1.059117E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IPAA, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.880975E-21, 9.984305E-22, 5.884868E-22, 3.735135E-22, \n & 1.059117E-22, 0.000000E+00, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IPAA, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.999983E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IPAA, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.999983E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IPAA, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.999983E-01, 0.000000E+00, 0.000000E+00 /\n\n\nC...CL2\nC.. CL2 + HV = 2 CL \t\nC.. \tFROM IUPAC EVALUATION (1996)\nC.. \tRECOMMEND UNIT QUANTUM YIELD\nC.. \t\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, ICL2 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( ICL2, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.824935E-20, 1.400673E-19, 1.841697E-19, 2.185163E-19, \n & 2.410845E-19, 6.539245E-20, 6.311134E-22 /\n DATA ( CS_REF( ICL2, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.824935E-20, 1.400673E-19, 1.841697E-19, 2.185163E-19, \n & 2.410845E-19, 6.539245E-20, 6.311134E-22 /\n DATA ( CS_REF( ICL2, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.824935E-20, 1.400673E-19, 1.841697E-19, 2.185163E-19, \n & 2.410845E-19, 6.539245E-20, 6.311134E-22 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( ICL2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.368807E-01 /\n DATA ( QY_REF( ICL2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.368807E-01 /\n DATA ( QY_REF( ICL2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.368807E-01 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( ICL2, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.824935E-20, 1.400673E-19, 1.841697E-19, 2.185163E-19, \n & 2.410845E-19, 6.539245E-20, 6.311133E-22 /\n DATA ( ECS_REF( ICL2, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.824935E-20, 1.400673E-19, 1.841697E-19, 2.185163E-19, \n & 2.410845E-19, 6.539245E-20, 6.311133E-22 /\n DATA ( ECS_REF( ICL2, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.824935E-20, 1.400673E-19, 1.841697E-19, 2.185163E-19, \n & 2.410845E-19, 6.539245E-20, 6.311133E-22 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( ICL2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.999998E-01 /\n DATA ( EQY_REF( ICL2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.999998E-01 /\n DATA ( EQY_REF( ICL2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.999998E-01 /\n\n\nC...CLNO-06\nC.. CLNO absorption cross sections recommended by IUPAC (2005)\nC.. Wavelength where absorption goes to zero est'd by extrapolation\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, ICLNO-06 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( ICLNO-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.713535E-20, 1.043433E-19, 1.150344E-19, 1.267321E-19, \n & 1.479858E-19, 8.438991E-20, 4.594130E-21 /\n DATA ( CS_REF( ICLNO-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.713535E-20, 1.043433E-19, 1.150344E-19, 1.267321E-19, \n & 1.479858E-19, 8.438991E-20, 4.594130E-21 /\n DATA ( CS_REF( ICLNO-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.713535E-20, 1.043433E-19, 1.150344E-19, 1.267321E-19, \n & 1.479858E-19, 8.438991E-20, 4.594130E-21 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( ICLNO-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 2.444760E-01 /\n DATA ( QY_REF( ICLNO-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 2.444760E-01 /\n DATA ( QY_REF( ICLNO-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 2.444760E-01 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( ICLNO-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.713535E-20, 1.043433E-19, 1.150344E-19, 1.267321E-19, \n & 1.479858E-19, 8.438991E-20, 4.594130E-21 /\n DATA ( ECS_REF( ICLNO-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.713535E-20, 1.043433E-19, 1.150344E-19, 1.267321E-19, \n & 1.479858E-19, 8.438991E-20, 4.594130E-21 /\n DATA ( ECS_REF( ICLNO-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.713535E-20, 1.043433E-19, 1.150344E-19, 1.267321E-19, \n & 1.479858E-19, 8.438991E-20, 4.594130E-21 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( ICLNO-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.999999E-01 /\n DATA ( EQY_REF( ICLNO-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.999999E-01 /\n DATA ( EQY_REF( ICLNO-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.999999E-01 /\n\n\nC...CLONO\nC.. CLONO + HV = CL + NO2\t\nC.. \tFROM IUPAC EVALUATION (1996)\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, ICLONO ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( ICLONO, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.405580E-18, 1.198578E-18, 1.052515E-18, 9.205327E-19, \n & 5.728580E-19, 7.394602E-20, 0.000000E+00 /\n DATA ( CS_REF( ICLONO, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.405580E-18, 1.198578E-18, 1.052515E-18, 9.205327E-19, \n & 5.728580E-19, 7.394602E-20, 0.000000E+00 /\n DATA ( CS_REF( ICLONO, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.405580E-18, 1.198578E-18, 1.052515E-18, 9.205327E-19, \n & 5.728580E-19, 7.394602E-20, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( ICLONO, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 8.317809E-01, 0.000000E+00 /\n DATA ( QY_REF( ICLONO, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 8.317809E-01, 0.000000E+00 /\n DATA ( QY_REF( ICLONO, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 8.317809E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( ICLONO, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.405580E-18, 1.198578E-18, 1.052515E-18, 9.205327E-19, \n & 5.728580E-19, 7.394601E-20, 0.000000E+00 /\n DATA ( ECS_REF( ICLONO, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.405580E-18, 1.198578E-18, 1.052515E-18, 9.205327E-19, \n & 5.728580E-19, 7.394601E-20, 0.000000E+00 /\n DATA ( ECS_REF( ICLONO, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.405580E-18, 1.198578E-18, 1.052515E-18, 9.205327E-19, \n & 5.728580E-19, 7.394601E-20, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( ICLONO, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999999E-01, 0.000000E+00 /\n DATA ( EQY_REF( ICLONO, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999999E-01, 0.000000E+00 /\n DATA ( EQY_REF( ICLONO, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999999E-01, 0.000000E+00 /\n\n\nC...CLNO2\nC.. CLNO2 + HV = CL + NO2\t\nC.. \tFROM IUPAC EVALUATION (1996)\nC.. \tRECOMMEND UNIT QUANTUM YILED\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, ICLNO2 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( ICLNO2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.619476E-19, 1.400598E-19, 1.206790E-19, 1.001660E-19, \n & 5.258212E-20, 4.822256E-21, 0.000000E+00 /\n DATA ( CS_REF( ICLNO2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.619476E-19, 1.400598E-19, 1.206790E-19, 1.001660E-19, \n & 5.258212E-20, 4.822256E-21, 0.000000E+00 /\n DATA ( CS_REF( ICLNO2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.619476E-19, 1.400598E-19, 1.206790E-19, 1.001660E-19, \n & 5.258212E-20, 4.822256E-21, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( ICLNO2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 4.412513E-01, 0.000000E+00 /\n DATA ( QY_REF( ICLNO2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 4.412513E-01, 0.000000E+00 /\n DATA ( QY_REF( ICLNO2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 4.412513E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( ICLNO2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.619476E-19, 1.400598E-19, 1.206790E-19, 1.001660E-19, \n & 5.258212E-20, 4.822253E-21, 0.000000E+00 /\n DATA ( ECS_REF( ICLNO2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.619476E-19, 1.400598E-19, 1.206790E-19, 1.001660E-19, \n & 5.258212E-20, 4.822253E-21, 0.000000E+00 /\n DATA ( ECS_REF( ICLNO2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.619476E-19, 1.400598E-19, 1.206790E-19, 1.001660E-19, \n & 5.258212E-20, 4.822253E-21, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( ICLNO2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999995E-01, 0.000000E+00 /\n DATA ( EQY_REF( ICLNO2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999995E-01, 0.000000E+00 /\n DATA ( EQY_REF( ICLNO2, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999995E-01, 0.000000E+00 /\n\n\nC...CLONO2-1\nC.. CLONO2 + hv = CLO. + NO2\nC.. CLONO2 absorption cross sections and quantum yields recommended by IUPAC (2005)\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, ICLONO2-1 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( ICLONO2-1, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.653763E-20, 2.593172E-20, 1.621920E-20, 1.063004E-20, \n & 4.392588E-21, 4.870605E-22, 0.000000E+00 /\n DATA ( CS_REF( ICLONO2-1, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.653763E-20, 2.593172E-20, 1.621920E-20, 1.063004E-20, \n & 4.392588E-21, 4.870605E-22, 0.000000E+00 /\n DATA ( CS_REF( ICLONO2-1, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.653763E-20, 2.593172E-20, 1.621920E-20, 1.063004E-20, \n & 4.392588E-21, 4.870605E-22, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( ICLONO2-1, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.000000E-01, 3.989906E-01, 3.830687E-01, 3.395569E-01, \n & 2.198601E-01, 1.467998E-02, 0.000000E+00 /\n DATA ( QY_REF( ICLONO2-1, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.000000E-01, 3.989906E-01, 3.830687E-01, 3.395569E-01, \n & 2.198601E-01, 1.467998E-02, 0.000000E+00 /\n DATA ( QY_REF( ICLONO2-1, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.000000E-01, 3.989906E-01, 3.830687E-01, 3.395569E-01, \n & 2.198601E-01, 1.467998E-02, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( ICLONO2-1, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.861505E-20, 1.035219E-20, 6.224709E-21, 3.635981E-21, \n & 1.037276E-21, 3.317179E-23, 0.000000E+00 /\n DATA ( ECS_REF( ICLONO2-1, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.861505E-20, 1.035219E-20, 6.224709E-21, 3.635981E-21, \n & 1.037276E-21, 3.317179E-23, 0.000000E+00 /\n DATA ( ECS_REF( ICLONO2-1, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.861505E-20, 1.035219E-20, 6.224709E-21, 3.635981E-21, \n & 1.037276E-21, 3.317179E-23, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( ICLONO2-1, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.000000E-01, 3.992096E-01, 3.837864E-01, 3.420477E-01, \n & 2.361424E-01, 6.810609E-02, 0.000000E+00 /\n DATA ( EQY_REF( ICLONO2-1, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.000000E-01, 3.992096E-01, 3.837864E-01, 3.420477E-01, \n & 2.361424E-01, 6.810609E-02, 0.000000E+00 /\n DATA ( EQY_REF( ICLONO2-1, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.000000E-01, 3.992096E-01, 3.837864E-01, 3.420477E-01, \n & 2.361424E-01, 6.810609E-02, 0.000000E+00 /\n\n\nC...CLONO2-2\nC.. CLONO2 + hv = CL. + NO3\nC.. CLONO2 absorption cross sections and quantum yields recommended by IUPAC (2005)\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, ICLONO2-2 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( ICLONO2-2, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.653763E-20, 2.593172E-20, 1.621920E-20, 1.063004E-20, \n & 4.392588E-21, 1.220202E-21, 9.579244E-24 /\n DATA ( CS_REF( ICLONO2-2, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.653763E-20, 2.593172E-20, 1.621920E-20, 1.063004E-20, \n & 4.392588E-21, 1.220202E-21, 9.579244E-24 /\n DATA ( CS_REF( ICLONO2-2, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.653763E-20, 2.593172E-20, 1.621920E-20, 1.063004E-20, \n & 4.392588E-21, 1.220202E-21, 9.579244E-24 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( ICLONO2-2, 1, IWLR ), IWLR = 1, 7 ) /\n & 6.000000E-01, 6.010094E-01, 6.169314E-01, 6.604431E-01, \n & 7.801399E-01, 9.853200E-01, 3.841701E-02 /\n DATA ( QY_REF( ICLONO2-2, 1, IWLR ), IWLR = 1, 7 ) /\n & 6.000000E-01, 6.010094E-01, 6.169314E-01, 6.604431E-01, \n & 7.801399E-01, 9.853200E-01, 3.841701E-02 /\n DATA ( QY_REF( ICLONO2-2, 1, IWLR ), IWLR = 1, 7 ) /\n & 6.000000E-01, 6.010094E-01, 6.169314E-01, 6.604431E-01, \n & 7.801399E-01, 9.853200E-01, 3.841701E-02 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( ICLONO2-2, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.792258E-20, 1.557953E-20, 9.994494E-21, 6.994062E-21, \n & 3.355312E-21, 1.187030E-21, 9.579223E-24 /\n DATA ( ECS_REF( ICLONO2-2, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.792258E-20, 1.557953E-20, 9.994494E-21, 6.994062E-21, \n & 3.355312E-21, 1.187030E-21, 9.579223E-24 /\n DATA ( ECS_REF( ICLONO2-2, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.792258E-20, 1.557953E-20, 9.994494E-21, 6.994062E-21, \n & 3.355312E-21, 1.187030E-21, 9.579223E-24 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( ICLONO2-2, 1, IWLR ), IWLR = 1, 7 ) /\n & 6.000000E-01, 6.007904E-01, 6.162136E-01, 6.579523E-01, \n & 7.638576E-01, 9.728145E-01, 9.999978E-01 /\n DATA ( EQY_REF( ICLONO2-2, 1, IWLR ), IWLR = 1, 7 ) /\n & 6.000000E-01, 6.007904E-01, 6.162136E-01, 6.579523E-01, \n & 7.638576E-01, 9.728145E-01, 9.999978E-01 /\n DATA ( EQY_REF( ICLONO2-2, 1, IWLR ), IWLR = 1, 7 ) /\n & 6.000000E-01, 6.007904E-01, 6.162136E-01, 6.579523E-01, \n & 7.638576E-01, 9.728145E-01, 9.999978E-01 /\n\n\nC...HOCL-06\nC.. HOCL absorption cross sections recommended by IUPAC (2005)\nC..\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, IHOCL-06 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IHOCL-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.570116E-20, 6.066932E-20, 5.958157E-20, 5.377944E-20, \n & 3.120856E-20, 6.545257E-21, 1.283779E-23 /\n DATA ( CS_REF( IHOCL-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.570116E-20, 6.066932E-20, 5.958157E-20, 5.377944E-20, \n & 3.120856E-20, 6.545257E-21, 1.283779E-23 /\n DATA ( CS_REF( IHOCL-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.570116E-20, 6.066932E-20, 5.958157E-20, 5.377944E-20, \n & 3.120856E-20, 6.545257E-21, 1.283779E-23 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IHOCL-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.671194E-02 /\n DATA ( QY_REF( IHOCL-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.671194E-02 /\n DATA ( QY_REF( IHOCL-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.671194E-02 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IHOCL-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.570116E-20, 6.066932E-20, 5.958157E-20, 5.377944E-20, \n & 3.120856E-20, 6.545257E-21, 1.283761E-23 /\n DATA ( ECS_REF( IHOCL-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.570116E-20, 6.066932E-20, 5.958157E-20, 5.377944E-20, \n & 3.120856E-20, 6.545257E-21, 1.283761E-23 /\n DATA ( ECS_REF( IHOCL-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.570116E-20, 6.066932E-20, 5.958157E-20, 5.377944E-20, \n & 3.120856E-20, 6.545257E-21, 1.283761E-23 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IHOCL-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.999858E-01 /\n DATA ( EQY_REF( IHOCL-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.999858E-01 /\n DATA ( EQY_REF( IHOCL-06, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.999858E-01 /\n\n\nC...CLCCHO\nC.. Chloroacetaldehyde absorption cross sections\nC.. NASA (2006) evaluation\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, ICLCCHO ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( ICLCCHO, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.379343E-20, 5.300274E-20, 4.849358E-20, 3.861001E-20, \n & 1.286110E-20, 9.229084E-23, 0.000000E+00 /\n DATA ( CS_REF( ICLCCHO, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.379343E-20, 5.300274E-20, 4.849358E-20, 3.861001E-20, \n & 1.286110E-20, 9.229084E-23, 0.000000E+00 /\n DATA ( CS_REF( ICLCCHO, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.379343E-20, 5.300274E-20, 4.849358E-20, 3.861001E-20, \n & 1.286110E-20, 9.229084E-23, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( ICLCCHO, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.478604E-01, 0.000000E+00 /\n DATA ( QY_REF( ICLCCHO, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.478604E-01, 0.000000E+00 /\n DATA ( QY_REF( ICLCCHO, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.478604E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( ICLCCHO, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.379343E-20, 5.300274E-20, 4.849358E-20, 3.861001E-20, \n & 1.286110E-20, 9.229049E-23, 0.000000E+00 /\n DATA ( ECS_REF( ICLCCHO, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.379343E-20, 5.300274E-20, 4.849358E-20, 3.861001E-20, \n & 1.286110E-20, 9.229049E-23, 0.000000E+00 /\n DATA ( ECS_REF( ICLCCHO, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.379343E-20, 5.300274E-20, 4.849358E-20, 3.861001E-20, \n & 1.286110E-20, 9.229049E-23, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( ICLCCHO, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999961E-01, 0.000000E+00 /\n DATA ( EQY_REF( ICLCCHO, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999961E-01, 0.000000E+00 /\n DATA ( EQY_REF( ICLCCHO, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999961E-01, 0.000000E+00 /\n\n\nC...CLACET\nC.. Chloroacetone absorption cross sections\nC.. Chloroacetone absorption cross sections\nC..\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, ICLACET ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( ICLACET, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000120E-19, 8.662040E-20, 6.774627E-20, 4.765676E-20, \n & 1.132987E-20, 6.893330E-23, 0.000000E+00 /\n DATA ( CS_REF( ICLACET, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000120E-19, 8.662040E-20, 6.774627E-20, 4.765676E-20, \n & 1.132987E-20, 6.893330E-23, 0.000000E+00 /\n DATA ( CS_REF( ICLACET, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000120E-19, 8.662040E-20, 6.774627E-20, 4.765676E-20, \n & 1.132987E-20, 6.893330E-23, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( ICLACET, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 2.282282E-01, 0.000000E+00 /\n DATA ( QY_REF( ICLACET, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 2.282282E-01, 0.000000E+00 /\n DATA ( QY_REF( ICLACET, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 2.282282E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( ICLACET, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000120E-19, 8.662040E-20, 6.774627E-20, 4.765676E-20, \n & 1.132987E-20, 6.893320E-23, 0.000000E+00 /\n DATA ( ECS_REF( ICLACET, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000120E-19, 8.662040E-20, 6.774627E-20, 4.765676E-20, \n & 1.132987E-20, 6.893320E-23, 0.000000E+00 /\n DATA ( ECS_REF( ICLACET, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000120E-19, 8.662040E-20, 6.774627E-20, 4.765676E-20, \n & 1.132987E-20, 6.893320E-23, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( ICLACET, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999986E-01, 0.000000E+00 /\n DATA ( EQY_REF( ICLACET, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999986E-01, 0.000000E+00 /\n DATA ( EQY_REF( ICLACET, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999986E-01, 0.000000E+00 /\n\n\nC...NO2_SAPRC99\nC.. NO2 + HV = NO + O\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, INO2_SAPRC99 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( INO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.079359E-19, 1.478274E-19, 1.860793E-19, 2.249056E-19, \n & 3.335557E-19, 5.492275E-19, 1.148338E-20 /\n DATA ( CS_REF( INO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.079359E-19, 1.478274E-19, 1.860793E-19, 2.249056E-19, \n & 3.335557E-19, 5.492275E-19, 1.148338E-20 /\n DATA ( CS_REF( INO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.079359E-19, 1.478274E-19, 1.860793E-19, 2.249056E-19, \n & 3.335557E-19, 5.492275E-19, 1.148338E-20 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( INO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 9.986849E-01, 9.908285E-01, \n & 9.900000E-01, 7.922024E-01, 7.010691E-04 /\n DATA ( QY_REF( INO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 9.986849E-01, 9.908285E-01, \n & 9.900000E-01, 7.922024E-01, 7.010691E-04 /\n DATA ( QY_REF( INO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 9.986849E-01, 9.908285E-01, \n & 9.900000E-01, 7.922024E-01, 7.010691E-04 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( INO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.079359E-19, 1.478274E-19, 1.858225E-19, 2.228265E-19, \n & 3.302201E-19, 4.272924E-19, 4.015397E-22 /\n DATA ( ECS_REF( INO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.079359E-19, 1.478274E-19, 1.858225E-19, 2.228265E-19, \n & 3.302201E-19, 4.272924E-19, 4.015397E-22 /\n DATA ( ECS_REF( INO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.079359E-19, 1.478274E-19, 1.858225E-19, 2.228265E-19, \n & 3.302201E-19, 4.272924E-19, 4.015397E-22 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( INO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 9.986200E-01, 9.907554E-01, \n & 9.900000E-01, 7.779881E-01, 3.496704E-02 /\n DATA ( EQY_REF( INO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 9.986200E-01, 9.907554E-01, \n & 9.900000E-01, 7.779881E-01, 3.496704E-02 /\n DATA ( EQY_REF( INO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 9.986200E-01, 9.907554E-01, \n & 9.900000E-01, 7.779881E-01, 3.496704E-02 /\n\n\nC...NO3NO_SAPRC99\nC.. NO3 + HV = NO + O2 (T=298)\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, INO3NO_SAPRC99 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( INO3NO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 5.695915E-19 /\n DATA ( CS_REF( INO3NO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 5.695915E-19 /\n DATA ( CS_REF( INO3NO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 5.695915E-19 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( INO3NO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 2.027933E-02 /\n DATA ( QY_REF( INO3NO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 2.027933E-02 /\n DATA ( QY_REF( INO3NO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 2.027933E-02 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( INO3NO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 8.172137E-20 /\n DATA ( ECS_REF( INO3NO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 8.172137E-20 /\n DATA ( ECS_REF( INO3NO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 8.172137E-20 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( INO3NO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 1.434736E-01 /\n DATA ( EQY_REF( INO3NO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 1.434736E-01 /\n DATA ( EQY_REF( INO3NO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 0.000000E+00, 1.434736E-01 /\n\n\nC...NO3NO2_SAPRC99\nC.. NO3 + HV = NO2 + O (T=298)\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, INO3NO2_SAPRC99 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( INO3NO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 4.263254E-21, 1.112198E-18 /\n DATA ( CS_REF( INO3NO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 4.263254E-21, 1.112198E-18 /\n DATA ( CS_REF( INO3NO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 4.263254E-21, 1.112198E-18 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( INO3NO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 2.818170E-01, 4.333254E-01 /\n DATA ( QY_REF( INO3NO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 2.818170E-01, 4.333254E-01 /\n DATA ( QY_REF( INO3NO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 2.818170E-01, 4.333254E-01 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( INO3NO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 4.263254E-21, 7.608259E-19 /\n DATA ( ECS_REF( INO3NO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 4.263254E-21, 7.608259E-19 /\n DATA ( ECS_REF( INO3NO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 4.263254E-21, 7.608259E-19 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( INO3NO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 1.000000E+00, 6.840739E-01 /\n DATA ( EQY_REF( INO3NO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 1.000000E+00, 6.840739E-01 /\n DATA ( EQY_REF( INO3NO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00, \n & 0.000000E+00, 1.000000E+00, 6.840739E-01 /\n\n\nC...O3O3P_SAPRC99\nC.. O3 + HV = O1D + O2\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\nC.. Absorption cross sections from NASA (1999), using wavelength which is cente\nC.. r of intervals shown.\nC.. Quantum yields derived from O3->O1D quantum yields assuming total quantum y\nC.. ield is 1, though this is not adequately discussed in the evaluations.\nC.. Values given are interpolated for each 1 nm interval.\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, IO3O3P_SAPRC99 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IO3O3P_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.244220E-19, 2.732263E-19, 1.048019E-19, 4.476736E-20, \n & 6.115340E-21, 1.783091E-23, 1.650939E-21 /\n DATA ( CS_REF( IO3O3P_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.244220E-19, 2.732263E-19, 1.048019E-19, 4.476736E-20, \n & 6.115340E-21, 1.783091E-23, 1.650939E-21 /\n DATA ( CS_REF( IO3O3P_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.244220E-19, 2.732263E-19, 1.048019E-19, 4.476736E-20, \n & 6.115340E-21, 1.783091E-23, 1.650939E-21 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IO3O3P_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 6.227037E-02, 4.316586E-02, 4.576474E-01, 7.880838E-01, \n & 9.572254E-01, 1.000000E+00, 1.000000E+00 /\n DATA ( QY_REF( IO3O3P_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 6.227037E-02, 4.316586E-02, 4.576474E-01, 7.880838E-01, \n & 9.572254E-01, 1.000000E+00, 1.000000E+00 /\n DATA ( QY_REF( IO3O3P_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 6.227037E-02, 4.316586E-02, 4.576474E-01, 7.880838E-01, \n & 9.572254E-01, 1.000000E+00, 1.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IO3O3P_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.234563E-20, 1.108868E-20, 4.421222E-20, 3.478954E-20, \n & 5.673124E-21, 1.783091E-23, 1.650939E-21 /\n DATA ( ECS_REF( IO3O3P_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.234563E-20, 1.108868E-20, 4.421222E-20, 3.478954E-20, \n & 5.673124E-21, 1.783091E-23, 1.650939E-21 /\n DATA ( ECS_REF( IO3O3P_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.234563E-20, 1.108868E-20, 4.421222E-20, 3.478954E-20, \n & 5.673124E-21, 1.783091E-23, 1.650939E-21 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IO3O3P_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 6.349374E-02, 4.058423E-02, 4.218646E-01, 7.771183E-01, \n & 9.276875E-01, 1.000000E+00, 1.000000E+00 /\n DATA ( EQY_REF( IO3O3P_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 6.349374E-02, 4.058423E-02, 4.218646E-01, 7.771183E-01, \n & 9.276875E-01, 1.000000E+00, 1.000000E+00 /\n DATA ( EQY_REF( IO3O3P_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 6.349374E-02, 4.058423E-02, 4.218646E-01, 7.771183E-01, \n & 9.276875E-01, 1.000000E+00, 1.000000E+00 /\n\n\nC...O3O1D_SAPRC99\nC.. O3 + HV = O1D + O2\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\nC.. Absorption cross sections from NASA (1999), using wavelength which is cente\nC.. r of intervals shown.\nC.. Quantum yields from IUPAC, Supplement VI (1997).\nC.. No quantum yield recommendation is given for wl>335. Assume they decrease\nC.. linearly to zero at 340 nm.\nC.. Values given are interpolated for each 1 nm interval.\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, IO3O1D_SAPRC99 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IO3O1D_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.244220E-19, 2.732263E-19, 1.048019E-19, 4.476736E-20, \n & 5.921096E-21, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IO3O1D_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.244220E-19, 2.732263E-19, 1.048019E-19, 4.476736E-20, \n & 5.921096E-21, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IO3O1D_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.244220E-19, 2.732263E-19, 1.048019E-19, 4.476736E-20, \n & 5.921096E-21, 0.000000E+00, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IO3O1D_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.377297E-01, 9.568341E-01, 5.423526E-01, 2.119162E-01, \n & 4.277464E-02, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IO3O1D_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.377297E-01, 9.568341E-01, 5.423526E-01, 2.119162E-01, \n & 4.277464E-02, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IO3O1D_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.377297E-01, 9.568341E-01, 5.423526E-01, 2.119162E-01, \n & 4.277464E-02, 0.000000E+00, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IO3O1D_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 7.720763E-19, 2.621376E-19, 6.058971E-20, 9.977826E-21, \n & 4.422152E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IO3O1D_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 7.720763E-19, 2.621376E-19, 6.058971E-20, 9.977826E-21, \n & 4.422152E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IO3O1D_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 7.720763E-19, 2.621376E-19, 6.058971E-20, 9.977826E-21, \n & 4.422152E-22, 0.000000E+00, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IO3O1D_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.365063E-01, 9.594158E-01, 5.781354E-01, 2.228817E-01, \n & 7.468469E-02, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IO3O1D_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.365063E-01, 9.594158E-01, 5.781354E-01, 2.228817E-01, \n & 7.468469E-02, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IO3O1D_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.365063E-01, 9.594158E-01, 5.781354E-01, 2.228817E-01, \n & 7.468469E-02, 0.000000E+00, 0.000000E+00 /\n\n\nC...HONO_NO_SAPRC99\nC.. HONO + HV = HO. + NO\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, IHONO_NO_SAPRC99 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IHONO_NO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 1.218167E-20, 3.478063E-20, \n & 1.090584E-19, 8.781866E-20, 0.000000E+00 /\n DATA ( CS_REF( IHONO_NO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 1.218167E-20, 3.478063E-20, \n & 1.090584E-19, 8.781866E-20, 0.000000E+00 /\n DATA ( CS_REF( IHONO_NO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 1.218167E-20, 3.478063E-20, \n & 1.090584E-19, 8.781866E-20, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IHONO_NO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 2.840304E-01, 4.690968E-01, \n & 6.487832E-01, 6.915469E-01, 0.000000E+00 /\n DATA ( QY_REF( IHONO_NO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 2.840304E-01, 4.690968E-01, \n & 6.487832E-01, 6.915469E-01, 0.000000E+00 /\n DATA ( QY_REF( IHONO_NO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 2.840304E-01, 4.690968E-01, \n & 6.487832E-01, 6.915469E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IHONO_NO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 5.061498E-21, 1.650524E-20, \n & 7.360088E-20, 8.336914E-20, 0.000000E+00 /\n DATA ( ECS_REF( IHONO_NO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 5.061498E-21, 1.650524E-20, \n & 7.360088E-20, 8.336914E-20, 0.000000E+00 /\n DATA ( ECS_REF( IHONO_NO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 5.061498E-21, 1.650524E-20, \n & 7.360088E-20, 8.336914E-20, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IHONO_NO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 4.155010E-01, 4.745526E-01, \n & 6.748759E-01, 9.493328E-01, 0.000000E+00 /\n DATA ( EQY_REF( IHONO_NO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 4.155010E-01, 4.745526E-01, \n & 6.748759E-01, 9.493328E-01, 0.000000E+00 /\n DATA ( EQY_REF( IHONO_NO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 4.155010E-01, 4.745526E-01, \n & 6.748759E-01, 9.493328E-01, 0.000000E+00 /\n\n\nC...HONO_NO2_SAPRC99\nC.. HONO + HV = H. + NO2\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, IHONO_NO2_SAPRC99 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IHONO_NO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 1.218167E-20, 3.478063E-20, \n & 1.090584E-19, 3.949920E-20, 0.000000E+00 /\n DATA ( CS_REF( IHONO_NO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 1.218167E-20, 3.478063E-20, \n & 1.090584E-19, 3.949920E-20, 0.000000E+00 /\n DATA ( CS_REF( IHONO_NO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 1.218167E-20, 3.478063E-20, \n & 1.090584E-19, 3.949920E-20, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IHONO_NO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 4.022079E-01, 5.309032E-01, \n & 3.512168E-01, 2.663612E-02, 0.000000E+00 /\n DATA ( QY_REF( IHONO_NO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 4.022079E-01, 5.309032E-01, \n & 3.512168E-01, 2.663612E-02, 0.000000E+00 /\n DATA ( QY_REF( IHONO_NO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 4.022079E-01, 5.309032E-01, \n & 3.512168E-01, 2.663612E-02, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IHONO_NO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 7.119419E-21, 1.827539E-20, \n & 3.545750E-20, 4.449506E-21, 0.000000E+00 /\n DATA ( ECS_REF( IHONO_NO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 7.119419E-21, 1.827539E-20, \n & 3.545750E-20, 4.449506E-21, 0.000000E+00 /\n DATA ( ECS_REF( IHONO_NO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 7.119419E-21, 1.827539E-20, \n & 3.545750E-20, 4.449506E-21, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IHONO_NO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 5.844368E-01, 5.254474E-01, \n & 3.251241E-01, 1.126480E-01, 0.000000E+00 /\n DATA ( EQY_REF( IHONO_NO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 5.844368E-01, 5.254474E-01, \n & 3.251241E-01, 1.126480E-01, 0.000000E+00 /\n DATA ( EQY_REF( IHONO_NO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 0.000000E+00, 5.844368E-01, 5.254474E-01, \n & 3.251241E-01, 1.126480E-01, 0.000000E+00 /\n\n\nC...HNO3_SAPRC99\nC.. HNO3 + HV = products\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, IHNO3_SAPRC99 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IHNO3_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.358854E-21, 1.954560E-21, 8.462490E-22, 3.649802E-22, \n & 4.770221E-23, 3.875286E-25, 0.000000E+00 /\n DATA ( CS_REF( IHNO3_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.358854E-21, 1.954560E-21, 8.462490E-22, 3.649802E-22, \n & 4.770221E-23, 3.875286E-25, 0.000000E+00 /\n DATA ( CS_REF( IHNO3_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.358854E-21, 1.954560E-21, 8.462490E-22, 3.649802E-22, \n & 4.770221E-23, 3.875286E-25, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IHNO3_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.142428E-01, 0.000000E+00 /\n DATA ( QY_REF( IHNO3_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.142428E-01, 0.000000E+00 /\n DATA ( QY_REF( IHNO3_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.142428E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IHNO3_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.358854E-21, 1.954560E-21, 8.462490E-22, 3.649802E-22, \n & 4.770221E-23, 3.875253E-25, 0.000000E+00 /\n DATA ( ECS_REF( IHNO3_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.358854E-21, 1.954560E-21, 8.462490E-22, 3.649802E-22, \n & 4.770221E-23, 3.875253E-25, 0.000000E+00 /\n DATA ( ECS_REF( IHNO3_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.358854E-21, 1.954560E-21, 8.462490E-22, 3.649802E-22, \n & 4.770221E-23, 3.875253E-25, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IHNO3_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999914E-01, 0.000000E+00 /\n DATA ( EQY_REF( IHNO3_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999914E-01, 0.000000E+00 /\n DATA ( EQY_REF( IHNO3_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999914E-01, 0.000000E+00 /\n\n\nC...HO2NO2_SAPRC99\nC.. HO2NO2 + HV = PRODUCTS\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, IHO2NO2_SAPRC99 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IHO2NO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.591182E-20, 1.079995E-20, 5.527955E-21, 3.457478E-21, \n & 6.327416E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IHO2NO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.591182E-20, 1.079995E-20, 5.527955E-21, 3.457478E-21, \n & 6.327416E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IHO2NO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.591182E-20, 1.079995E-20, 5.527955E-21, 3.457478E-21, \n & 6.327416E-22, 0.000000E+00, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IHO2NO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 5.754197E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IHO2NO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 5.754197E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IHO2NO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 5.754197E-01, 0.000000E+00, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IHO2NO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.591182E-20, 1.079995E-20, 5.527955E-21, 3.457478E-21, \n & 6.327393E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IHO2NO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.591182E-20, 1.079995E-20, 5.527955E-21, 3.457478E-21, \n & 6.327393E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IHO2NO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.591182E-20, 1.079995E-20, 5.527955E-21, 3.457478E-21, \n & 6.327393E-22, 0.000000E+00, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IHO2NO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.999964E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IHO2NO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.999964E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IHO2NO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.999964E-01, 0.000000E+00, 0.000000E+00 /\n\n\nC...H2O2_SAPRC99\nC.. H2O2 + HV = 2 OH\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, IH2O2_SAPRC99 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IH2O2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.353273E-21, 5.771023E-21, 3.923019E-21, 2.721922E-21, \n & 1.138124E-21, 3.606317E-23, 0.000000E+00 /\n DATA ( CS_REF( IH2O2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.353273E-21, 5.771023E-21, 3.923019E-21, 2.721922E-21, \n & 1.138124E-21, 3.606317E-23, 0.000000E+00 /\n DATA ( CS_REF( IH2O2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.353273E-21, 5.771023E-21, 3.923019E-21, 2.721922E-21, \n & 1.138124E-21, 3.606317E-23, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IH2O2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.142428E-01, 0.000000E+00 /\n DATA ( QY_REF( IH2O2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.142428E-01, 0.000000E+00 /\n DATA ( QY_REF( IH2O2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.142428E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IH2O2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.353273E-21, 5.771023E-21, 3.923019E-21, 2.721922E-21, \n & 1.138124E-21, 3.606284E-23, 0.000000E+00 /\n DATA ( ECS_REF( IH2O2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.353273E-21, 5.771023E-21, 3.923019E-21, 2.721922E-21, \n & 1.138124E-21, 3.606284E-23, 0.000000E+00 /\n DATA ( ECS_REF( IH2O2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.353273E-21, 5.771023E-21, 3.923019E-21, 2.721922E-21, \n & 1.138124E-21, 3.606284E-23, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IH2O2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999907E-01, 0.000000E+00 /\n DATA ( EQY_REF( IH2O2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999907E-01, 0.000000E+00 /\n DATA ( EQY_REF( IH2O2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999907E-01, 0.000000E+00 /\n\n\nC...HCHO_R_SAPRC99\nC.. HCHO + HV = HCO + H\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, IHCHO_R_SAPRC99 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IHCHO_R_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.131405E-20, 3.361006E-20, 1.633912E-20, 3.089530E-20, \n & 1.387140E-20, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IHCHO_R_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.131405E-20, 3.361006E-20, 1.633912E-20, 3.089530E-20, \n & 1.387140E-20, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IHCHO_R_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.131405E-20, 3.361006E-20, 1.633912E-20, 3.089530E-20, \n & 1.387140E-20, 0.000000E+00, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IHCHO_R_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 7.530258E-01, 7.793078E-01, 7.694797E-01, 6.766384E-01, \n & 2.101625E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IHCHO_R_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 7.530258E-01, 7.793078E-01, 7.694797E-01, 6.766384E-01, \n & 2.101625E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IHCHO_R_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 7.530258E-01, 7.793078E-01, 7.694797E-01, 6.766384E-01, \n & 2.101625E-01, 0.000000E+00, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IHCHO_R_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.360343E-20, 2.619576E-20, 1.264516E-20, 2.110715E-20, \n & 3.830308E-21, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IHCHO_R_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.360343E-20, 2.619576E-20, 1.264516E-20, 2.110715E-20, \n & 3.830308E-21, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IHCHO_R_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.360343E-20, 2.619576E-20, 1.264516E-20, 2.110715E-20, \n & 3.830308E-21, 0.000000E+00, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IHCHO_R_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 7.537647E-01, 7.794024E-01, 7.739189E-01, 6.831833E-01, \n & 2.761300E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IHCHO_R_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 7.537647E-01, 7.794024E-01, 7.739189E-01, 6.831833E-01, \n & 2.761300E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IHCHO_R_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 7.537647E-01, 7.794024E-01, 7.739189E-01, 6.831833E-01, \n & 2.761300E-01, 0.000000E+00, 0.000000E+00 /\n\n\nC...HCHO_M_SAPRC99\nC.. HCHO + HV = H2 + CO\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, IHCHO_M_SAPRC99 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IHCHO_M_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.131405E-20, 3.361006E-20, 1.633912E-20, 3.089530E-20, \n & 1.653419E-20, 7.220988E-22, 0.000000E+00 /\n DATA ( CS_REF( IHCHO_M_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.131405E-20, 3.361006E-20, 1.633912E-20, 3.089530E-20, \n & 1.653419E-20, 7.220988E-22, 0.000000E+00 /\n DATA ( CS_REF( IHCHO_M_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.131405E-20, 3.361006E-20, 1.633912E-20, 3.089530E-20, \n & 1.653419E-20, 7.220988E-22, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IHCHO_M_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.261845E-01, 2.137268E-01, 2.298765E-01, 3.233059E-01, \n & 5.540997E-01, 2.985818E-02, 0.000000E+00 /\n DATA ( QY_REF( IHCHO_M_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.261845E-01, 2.137268E-01, 2.298765E-01, 3.233059E-01, \n & 5.540997E-01, 2.985818E-02, 0.000000E+00 /\n DATA ( QY_REF( IHCHO_M_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.261845E-01, 2.137268E-01, 2.298765E-01, 3.233059E-01, \n & 5.540997E-01, 2.985818E-02, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IHCHO_M_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 7.068871E-21, 7.200778E-21, 3.680172E-21, 9.787415E-21, \n & 9.269199E-21, 1.144566E-22, 0.000000E+00 /\n DATA ( ECS_REF( IHCHO_M_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 7.068871E-21, 7.200778E-21, 3.680172E-21, 9.787415E-21, \n & 9.269199E-21, 1.144566E-22, 0.000000E+00 /\n DATA ( ECS_REF( IHCHO_M_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 7.068871E-21, 7.200778E-21, 3.680172E-21, 9.787415E-21, \n & 9.269199E-21, 1.144566E-22, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IHCHO_M_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.257411E-01, 2.142447E-01, 2.252368E-01, 3.167930E-01, \n & 5.606080E-01, 1.585055E-01, 0.000000E+00 /\n DATA ( EQY_REF( IHCHO_M_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.257411E-01, 2.142447E-01, 2.252368E-01, 3.167930E-01, \n & 5.606080E-01, 1.585055E-01, 0.000000E+00 /\n DATA ( EQY_REF( IHCHO_M_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.257411E-01, 2.142447E-01, 2.252368E-01, 3.167930E-01, \n & 5.606080E-01, 1.585055E-01, 0.000000E+00 /\n\n\nC...CCHO_R_SAPRC99\nC.. CCHO + HV = CH3 + CHO\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, ICCHO_R_SAPRC99 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( ICCHO_R_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.432585E-20, 3.717942E-20, 2.933100E-20, 2.104718E-20, \n & 3.715620E-21, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( ICCHO_R_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.432585E-20, 3.717942E-20, 2.933100E-20, 2.104718E-20, \n & 3.715620E-21, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( ICCHO_R_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.432585E-20, 3.717942E-20, 2.933100E-20, 2.104718E-20, \n & 3.715620E-21, 0.000000E+00, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( ICCHO_R_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.839485E-01, 3.902035E-01, 2.845210E-01, 1.538490E-01, \n & 1.409418E-02, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( ICCHO_R_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.839485E-01, 3.902035E-01, 2.845210E-01, 1.538490E-01, \n & 1.409418E-02, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( ICCHO_R_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.839485E-01, 3.902035E-01, 2.845210E-01, 1.538490E-01, \n & 1.409418E-02, 0.000000E+00, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( ICCHO_R_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.147745E-20, 1.461039E-20, 8.426933E-21, 3.330087E-21, \n & 1.731238E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( ICCHO_R_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.147745E-20, 1.461039E-20, 8.426933E-21, 3.330087E-21, \n & 1.731238E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( ICCHO_R_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.147745E-20, 1.461039E-20, 8.426933E-21, 3.330087E-21, \n & 1.731238E-22, 0.000000E+00, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( ICCHO_R_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.845356E-01, 3.929698E-01, 2.873047E-01, 1.582202E-01, \n & 4.659352E-02, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( ICCHO_R_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.845356E-01, 3.929698E-01, 2.873047E-01, 1.582202E-01, \n & 4.659352E-02, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( ICCHO_R_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.845356E-01, 3.929698E-01, 2.873047E-01, 1.582202E-01, \n & 4.659352E-02, 0.000000E+00, 0.000000E+00 /\n\n\nC...C2CHO_SAPRC99\nC.. C2CHO + HV = C2H5. + CHO.\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, IC2CHO_SAPRC99 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IC2CHO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.113497E-20, 4.634685E-20, 3.579653E-20, 2.441747E-20, \n & 5.808840E-21, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IC2CHO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.113497E-20, 4.634685E-20, 3.579653E-20, 2.441747E-20, \n & 5.808840E-21, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IC2CHO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.113497E-20, 4.634685E-20, 3.579653E-20, 2.441747E-20, \n & 5.808840E-21, 0.000000E+00, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IC2CHO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.112440E-01, 7.954015E-01, 5.951666E-01, 4.312301E-01, \n & 1.520067E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IC2CHO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.112440E-01, 7.954015E-01, 5.951666E-01, 4.312301E-01, \n & 1.520067E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IC2CHO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.112440E-01, 7.954015E-01, 5.951666E-01, 4.312301E-01, \n & 1.520067E-01, 0.000000E+00, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IC2CHO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.730259E-20, 3.713793E-20, 2.133678E-20, 1.077363E-20, \n & 1.383935E-21, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IC2CHO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.730259E-20, 3.713793E-20, 2.133678E-20, 1.077363E-20, \n & 1.383935E-21, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IC2CHO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.730259E-20, 3.713793E-20, 2.133678E-20, 1.077363E-20, \n & 1.383935E-21, 0.000000E+00, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IC2CHO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.769110E-01, 8.013043E-01, 5.960574E-01, 4.412262E-01, \n & 2.382463E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IC2CHO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.769110E-01, 8.013043E-01, 5.960574E-01, 4.412262E-01, \n & 2.382463E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IC2CHO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.769110E-01, 8.013043E-01, 5.960574E-01, 4.412262E-01, \n & 2.382463E-01, 0.000000E+00, 0.000000E+00 /\n\n\nC...ACETONE_SAPRC99\nC.. ACETONE + HV = CH3CO. + CH3.\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, IACETONE_SAPRC99 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IACETONE_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.565268E-20, 2.347504E-20, 1.411215E-20, 7.530071E-21, \n & 8.363713E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IACETONE_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.565268E-20, 2.347504E-20, 1.411215E-20, 7.530071E-21, \n & 8.363713E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IACETONE_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.565268E-20, 2.347504E-20, 1.411215E-20, 7.530071E-21, \n & 8.363713E-22, 0.000000E+00, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IACETONE_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.242423E-01, 1.142597E-01, 5.803530E-02, 2.870068E-02, \n & 4.434784E-03, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IACETONE_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.242423E-01, 1.142597E-01, 5.803530E-02, 2.870068E-02, \n & 4.434784E-03, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IACETONE_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.242423E-01, 1.142597E-01, 5.803530E-02, 2.870068E-02, \n & 4.434784E-03, 0.000000E+00, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IACETONE_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.097968E-21, 2.778263E-21, 8.357590E-22, 2.321768E-22, \n & 8.431113E-24, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IACETONE_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.097968E-21, 2.778263E-21, 8.357590E-22, 2.321768E-22, \n & 8.431113E-24, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IACETONE_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.097968E-21, 2.778263E-21, 8.357590E-22, 2.321768E-22, \n & 8.431113E-24, 0.000000E+00, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IACETONE_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.271349E-01, 1.183496E-01, 5.922266E-02, 3.083328E-02, \n & 1.008059E-02, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IACETONE_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.271349E-01, 1.183496E-01, 5.922266E-02, 3.083328E-02, \n & 1.008059E-02, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IACETONE_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.271349E-01, 1.183496E-01, 5.922266E-02, 3.083328E-02, \n & 1.008059E-02, 0.000000E+00, 0.000000E+00 /\n\n\nC...KETONE_SAPRC99\nC.. Methyl Ethyl Ketone Absorption Cross Sections\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, IKETONE_SAPRC99 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IKETONE_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.255143E-20, 2.715759E-20, 1.567302E-20, 7.669485E-21, \n & 7.479172E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IKETONE_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.255143E-20, 2.715759E-20, 1.567302E-20, 7.669485E-21, \n & 7.479172E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IKETONE_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.255143E-20, 2.715759E-20, 1.567302E-20, 7.669485E-21, \n & 7.479172E-22, 0.000000E+00, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IKETONE_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.169248E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IKETONE_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.169248E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IKETONE_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.169248E-01, 0.000000E+00, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IKETONE_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.255143E-20, 2.715759E-20, 1.567302E-20, 7.669485E-21, \n & 7.479158E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IKETONE_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.255143E-20, 2.715759E-20, 1.567302E-20, 7.669485E-21, \n & 7.479158E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IKETONE_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.255143E-20, 2.715759E-20, 1.567302E-20, 7.669485E-21, \n & 7.479158E-22, 0.000000E+00, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IKETONE_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.999980E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IKETONE_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.999980E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IKETONE_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.999980E-01, 0.000000E+00, 0.000000E+00 /\n\n\nC...COOH_SAPRC99\nC.. CH3OOH + HV = PRODUCTS\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, ICOOH_SAPRC99 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( ICOOH_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.623467E-21, 3.524637E-21, 2.410332E-21, 1.699590E-21, \n & 7.230011E-22, 5.395106E-23, 0.000000E+00 /\n DATA ( CS_REF( ICOOH_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.623467E-21, 3.524637E-21, 2.410332E-21, 1.699590E-21, \n & 7.230011E-22, 5.395106E-23, 0.000000E+00 /\n DATA ( CS_REF( ICOOH_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.623467E-21, 3.524637E-21, 2.410332E-21, 1.699590E-21, \n & 7.230011E-22, 5.395106E-23, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( ICOOH_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 3.016710E-01, 0.000000E+00 /\n DATA ( QY_REF( ICOOH_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 3.016710E-01, 0.000000E+00 /\n DATA ( QY_REF( ICOOH_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 3.016710E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( ICOOH_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.623467E-21, 3.524637E-21, 2.410332E-21, 1.699590E-21, \n & 7.230011E-22, 5.395094E-23, 0.000000E+00 /\n DATA ( ECS_REF( ICOOH_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.623467E-21, 3.524637E-21, 2.410332E-21, 1.699590E-21, \n & 7.230011E-22, 5.395094E-23, 0.000000E+00 /\n DATA ( ECS_REF( ICOOH_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.623467E-21, 3.524637E-21, 2.410332E-21, 1.699590E-21, \n & 7.230011E-22, 5.395094E-23, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( ICOOH_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999977E-01, 0.000000E+00 /\n DATA ( EQY_REF( ICOOH_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999977E-01, 0.000000E+00 /\n DATA ( EQY_REF( ICOOH_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999977E-01, 0.000000E+00 /\n\n\nC...GLY_R_SAPRC99\nC.. Glyoxal + hv = 2 HCO\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, IGLY_R_SAPRC99 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IGLY_R_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.307063E-20, 3.064664E-20, 2.759451E-20, 2.066151E-20, \n & 6.469825E-21, 2.034957E-20, 6.237771E-22 /\n DATA ( CS_REF( IGLY_R_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.307063E-20, 3.064664E-20, 2.759451E-20, 2.066151E-20, \n & 6.469825E-21, 2.034957E-20, 6.237771E-22 /\n DATA ( CS_REF( IGLY_R_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.307063E-20, 3.064664E-20, 2.759451E-20, 2.066151E-20, \n & 6.469825E-21, 2.034957E-20, 6.237771E-22 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IGLY_R_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 5.446526E-01, 0.000000E+00 /\n DATA ( QY_REF( IGLY_R_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 5.446526E-01, 0.000000E+00 /\n DATA ( QY_REF( IGLY_R_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 5.446526E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IGLY_R_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.307063E-20, 3.064664E-20, 2.759451E-20, 2.066151E-20, \n & 6.469825E-21, 4.361282E-21, 0.000000E+00 /\n DATA ( ECS_REF( IGLY_R_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.307063E-20, 3.064664E-20, 2.759451E-20, 2.066151E-20, \n & 6.469825E-21, 4.361282E-21, 0.000000E+00 /\n DATA ( ECS_REF( IGLY_R_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.307063E-20, 3.064664E-20, 2.759451E-20, 2.066151E-20, \n & 6.469825E-21, 4.361282E-21, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IGLY_R_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 2.143182E-01, 0.000000E+00 /\n DATA ( EQY_REF( IGLY_R_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 2.143182E-01, 0.000000E+00 /\n DATA ( EQY_REF( IGLY_R_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 2.143182E-01, 0.000000E+00 /\n\n\nC...GLY_ABS_SAPRC99\nC.. Glyoxal Absorption Cross Sections\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, IGLY_ABS_SAPRC99 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IGLY_ABS_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.307063E-20, 3.064664E-20, 2.759451E-20, 2.066151E-20, \n & 6.469825E-21, 2.034957E-20, 7.746852E-21 /\n DATA ( CS_REF( IGLY_ABS_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.307063E-20, 3.064664E-20, 2.759451E-20, 2.066151E-20, \n & 6.469825E-21, 2.034957E-20, 7.746852E-21 /\n DATA ( CS_REF( IGLY_ABS_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.307063E-20, 3.064664E-20, 2.759451E-20, 2.066151E-20, \n & 6.469825E-21, 2.034957E-20, 7.746852E-21 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IGLY_ABS_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.534627E-02 /\n DATA ( QY_REF( IGLY_ABS_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.534627E-02 /\n DATA ( QY_REF( IGLY_ABS_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.534627E-02 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IGLY_ABS_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.307063E-20, 3.064664E-20, 2.759451E-20, 2.066151E-20, \n & 6.469825E-21, 2.034957E-20, 7.746850E-21 /\n DATA ( ECS_REF( IGLY_ABS_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.307063E-20, 3.064664E-20, 2.759451E-20, 2.066151E-20, \n & 6.469825E-21, 2.034957E-20, 7.746850E-21 /\n DATA ( ECS_REF( IGLY_ABS_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.307063E-20, 3.064664E-20, 2.759451E-20, 2.066151E-20, \n & 6.469825E-21, 2.034957E-20, 7.746850E-21 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IGLY_ABS_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.999998E-01 /\n DATA ( EQY_REF( IGLY_ABS_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.999998E-01 /\n DATA ( EQY_REF( IGLY_ABS_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.999998E-01 /\n\n\nC...MGLY_ADJ_SAPRC99\nC.. MGLY + HV = PRODUCTS\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, IMGLY_ADJ_SAPRC99 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IMGLY_ADJ_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.414883E-20, 3.510057E-20, 2.364220E-20, 1.814699E-20, \n & 5.998245E-21, 3.697535E-20, 1.477384E-21 /\n DATA ( CS_REF( IMGLY_ADJ_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.414883E-20, 3.510057E-20, 2.364220E-20, 1.814699E-20, \n & 5.998245E-21, 3.697535E-20, 1.477384E-21 /\n DATA ( CS_REF( IMGLY_ADJ_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.414883E-20, 3.510057E-20, 2.364220E-20, 1.814699E-20, \n & 5.998245E-21, 3.697535E-20, 1.477384E-21 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IMGLY_ADJ_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.992940E-01, 3.801420E-01, 0.000000E+00 /\n DATA ( QY_REF( IMGLY_ADJ_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.992940E-01, 3.801420E-01, 0.000000E+00 /\n DATA ( QY_REF( IMGLY_ADJ_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.992940E-01, 3.801420E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IMGLY_ADJ_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.414883E-20, 3.510057E-20, 2.364220E-20, 1.814699E-20, \n & 5.996184E-21, 6.110818E-21, 0.000000E+00 /\n DATA ( ECS_REF( IMGLY_ADJ_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.414883E-20, 3.510057E-20, 2.364220E-20, 1.814699E-20, \n & 5.996184E-21, 6.110818E-21, 0.000000E+00 /\n DATA ( ECS_REF( IMGLY_ADJ_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.414883E-20, 3.510057E-20, 2.364220E-20, 1.814699E-20, \n & 5.996184E-21, 6.110818E-21, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IMGLY_ADJ_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.996565E-01, 1.652673E-01, 0.000000E+00 /\n DATA ( EQY_REF( IMGLY_ADJ_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.996565E-01, 1.652673E-01, 0.000000E+00 /\n DATA ( EQY_REF( IMGLY_ADJ_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.996565E-01, 1.652673E-01, 0.000000E+00 /\n\n\nC...BACL_ADJ_SAPRC99\nC.. BACL + HV = PRODUCTS\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, IBACL_ADJ_SAPRC99 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IBACL_ADJ_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.617461E-20, 1.589010E-20, 9.041891E-21, 6.004446E-21, \n & 4.676509E-21, 3.224516E-20, 4.675101E-21 /\n DATA ( CS_REF( IBACL_ADJ_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.617461E-20, 1.589010E-20, 9.041891E-21, 6.004446E-21, \n & 4.676509E-21, 3.224516E-20, 4.675101E-21 /\n DATA ( CS_REF( IBACL_ADJ_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.617461E-20, 1.589010E-20, 9.041891E-21, 6.004446E-21, \n & 4.676509E-21, 3.224516E-20, 4.675101E-21 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IBACL_ADJ_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 5.303439E-01, 9.162503E-04 /\n DATA ( QY_REF( IBACL_ADJ_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 5.303439E-01, 9.162503E-04 /\n DATA ( QY_REF( IBACL_ADJ_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 5.303439E-01, 9.162503E-04 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IBACL_ADJ_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.617461E-20, 1.589010E-20, 9.041891E-21, 6.004446E-21, \n & 4.676509E-21, 1.215315E-20, 6.213340E-23 /\n DATA ( ECS_REF( IBACL_ADJ_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.617461E-20, 1.589010E-20, 9.041891E-21, 6.004446E-21, \n & 4.676509E-21, 1.215315E-20, 6.213340E-23 /\n DATA ( ECS_REF( IBACL_ADJ_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.617461E-20, 1.589010E-20, 9.041891E-21, 6.004446E-21, \n & 4.676509E-21, 1.215315E-20, 6.213340E-23 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IBACL_ADJ_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 3.768983E-01, 1.329028E-02 /\n DATA ( EQY_REF( IBACL_ADJ_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 3.768983E-01, 1.329028E-02 /\n DATA ( EQY_REF( IBACL_ADJ_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 3.768983E-01, 1.329028E-02 /\n\n\nC...BZCHO_SAPRC99\nC.. Benzaldehyde absorbtion coefs in n-Hexane\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, IBZCHO_SAPRC99 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IBZCHO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 9.271380E-20, 6.609055E-20, 6.730978E-20, \n & 8.248206E-20, 2.821755E-20, 0.000000E+00 /\n DATA ( CS_REF( IBZCHO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 9.271380E-20, 6.609055E-20, 6.730978E-20, \n & 8.248206E-20, 2.821755E-20, 0.000000E+00 /\n DATA ( CS_REF( IBZCHO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 9.271380E-20, 6.609055E-20, 6.730978E-20, \n & 8.248206E-20, 2.821755E-20, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IBZCHO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 9.366284E-01, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 5.153002E-01, 0.000000E+00 /\n DATA ( QY_REF( IBZCHO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 9.366284E-01, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 5.153002E-01, 0.000000E+00 /\n DATA ( QY_REF( IBZCHO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 9.366284E-01, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 5.153002E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IBZCHO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 9.247798E-20, 6.609055E-20, 6.730978E-20, \n & 8.248206E-20, 2.821755E-20, 0.000000E+00 /\n DATA ( ECS_REF( IBZCHO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 9.247798E-20, 6.609055E-20, 6.730978E-20, \n & 8.248206E-20, 2.821755E-20, 0.000000E+00 /\n DATA ( ECS_REF( IBZCHO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 9.247798E-20, 6.609055E-20, 6.730978E-20, \n & 8.248206E-20, 2.821755E-20, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IBZCHO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 9.974566E-01, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999997E-01, 0.000000E+00 /\n DATA ( EQY_REF( IBZCHO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 9.974566E-01, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999997E-01, 0.000000E+00 /\n DATA ( EQY_REF( IBZCHO_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 9.974566E-01, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999997E-01, 0.000000E+00 /\n\n\nC...ACROLEIN_SAPRC99\nC.. Absorption cross sections for Acrolein.\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, IACROLEIN_SAPRC99 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IACROLEIN_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.119557E-20, 3.145168E-20, 4.081551E-20, 4.837758E-20, \n & 5.750342E-20, 1.189678E-20, 0.000000E+00 /\n DATA ( CS_REF( IACROLEIN_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.119557E-20, 3.145168E-20, 4.081551E-20, 4.837758E-20, \n & 5.750342E-20, 1.189678E-20, 0.000000E+00 /\n DATA ( CS_REF( IACROLEIN_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.119557E-20, 3.145168E-20, 4.081551E-20, 4.837758E-20, \n & 5.750342E-20, 1.189678E-20, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IACROLEIN_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 4.565694E-01, 0.000000E+00 /\n DATA ( QY_REF( IACROLEIN_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 4.565694E-01, 0.000000E+00 /\n DATA ( QY_REF( IACROLEIN_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 4.565694E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IACROLEIN_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.119557E-20, 3.145168E-20, 4.081551E-20, 4.837758E-20, \n & 5.750342E-20, 1.189678E-20, 0.000000E+00 /\n DATA ( ECS_REF( IACROLEIN_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.119557E-20, 3.145168E-20, 4.081551E-20, 4.837758E-20, \n & 5.750342E-20, 1.189678E-20, 0.000000E+00 /\n DATA ( ECS_REF( IACROLEIN_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.119557E-20, 3.145168E-20, 4.081551E-20, 4.837758E-20, \n & 5.750342E-20, 1.189678E-20, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IACROLEIN_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IACROLEIN_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IACROLEIN_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 0.000000E+00 /\n\n\nC...IC3ONO2_SAPRC99\nC.. I-C3H7ONO2 + HV = PRODUCTS\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, IIC3ONO2_SAPRC99 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IIC3ONO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.255485E-20, 6.352151E-21, 3.286583E-21, 1.709812E-21, \n & 2.667190E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IIC3ONO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.255485E-20, 6.352151E-21, 3.286583E-21, 1.709812E-21, \n & 2.667190E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IIC3ONO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.255485E-20, 6.352151E-21, 3.286583E-21, 1.709812E-21, \n & 2.667190E-22, 0.000000E+00, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IIC3ONO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 5.754197E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IIC3ONO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 5.754197E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IIC3ONO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 5.754197E-01, 0.000000E+00, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IIC3ONO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.255485E-20, 6.352151E-21, 3.286583E-21, 1.709812E-21, \n & 2.667181E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IIC3ONO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.255485E-20, 6.352151E-21, 3.286583E-21, 1.709812E-21, \n & 2.667181E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IIC3ONO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.255485E-20, 6.352151E-21, 3.286583E-21, 1.709812E-21, \n & 2.667181E-22, 0.000000E+00, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IIC3ONO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.999965E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IIC3ONO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.999965E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IIC3ONO2_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.999965E-01, 0.000000E+00, 0.000000E+00 /\n\n\nC...MGLY_ABS_SAPRC99\nC.. Methyl Glyoxal Absorption Cross Sections\nC.. SAPRC-99 Photolysis data. Supplied by William P. L. Carter.\nC.. Created from PhotDat.xls on 29-Jan-2000 10:07\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, IMGLY_ABS_SAPRC99 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IMGLY_ABS_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.414883E-20, 3.510057E-20, 2.364220E-20, 1.814699E-20, \n & 5.998245E-21, 3.697535E-20, 7.930062E-21 /\n DATA ( CS_REF( IMGLY_ABS_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.414883E-20, 3.510057E-20, 2.364220E-20, 1.814699E-20, \n & 5.998245E-21, 3.697535E-20, 7.930062E-21 /\n DATA ( CS_REF( IMGLY_ABS_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.414883E-20, 3.510057E-20, 2.364220E-20, 1.814699E-20, \n & 5.998245E-21, 3.697535E-20, 7.930062E-21 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IMGLY_ABS_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.689096E-01 /\n DATA ( QY_REF( IMGLY_ABS_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.689096E-01 /\n DATA ( QY_REF( IMGLY_ABS_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.689096E-01 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IMGLY_ABS_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.414883E-20, 3.510057E-20, 2.364220E-20, 1.814699E-20, \n & 5.998245E-21, 3.697535E-20, 7.930062E-21 /\n DATA ( ECS_REF( IMGLY_ABS_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.414883E-20, 3.510057E-20, 2.364220E-20, 1.814699E-20, \n & 5.998245E-21, 3.697535E-20, 7.930062E-21 /\n DATA ( ECS_REF( IMGLY_ABS_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.414883E-20, 3.510057E-20, 2.364220E-20, 1.814699E-20, \n & 5.998245E-21, 3.697535E-20, 7.930062E-21 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IMGLY_ABS_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.000000E+00 /\n DATA ( EQY_REF( IMGLY_ABS_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.000000E+00 /\n DATA ( EQY_REF( IMGLY_ABS_SAPRC99, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.000000E+00 /\n\n\nC...O3_O3P_IUPAC04\nC.. O3 + HV = O(3P) + O2\nC.. From IUPAC Subcommittee on Gas Kinetic Data Evaluation\nC.. Data Sheet POx2, updated 2nd October 2001\nC.. Website: http://www.iupac-kinetic.ch.cam.ac.uk/\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, IO3_O3P_IUPAC04 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IO3_O3P_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.237238E-19, 2.618511E-19, 1.031290E-19, 4.161018E-20, \n & 6.126439E-21, 4.250345E-23, 1.550664E-21 /\n DATA ( CS_REF( IO3_O3P_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.237238E-19, 2.618511E-19, 1.031290E-19, 4.161018E-20, \n & 6.126439E-21, 4.250345E-23, 1.550664E-21 /\n DATA ( CS_REF( IO3_O3P_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.237238E-19, 2.618511E-19, 1.031290E-19, 4.161018E-20, \n & 6.126439E-21, 4.250345E-23, 1.550664E-21 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IO3_O3P_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E-01, 1.070961E-01, 4.640082E-01, 7.781807E-01, \n & 9.134409E-01, 9.634614E-01, 6.920660E-01 /\n DATA ( QY_REF( IO3_O3P_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E-01, 1.070961E-01, 4.640082E-01, 7.781807E-01, \n & 9.134409E-01, 9.634614E-01, 6.920660E-01 /\n DATA ( QY_REF( IO3_O3P_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E-01, 1.070961E-01, 4.640082E-01, 7.781807E-01, \n & 9.134409E-01, 9.634614E-01, 6.920660E-01 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IO3_O3P_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.237238E-20, 2.744997E-20, 4.605586E-20, 3.200319E-20, \n & 5.504526E-21, 3.927087E-23, 1.550664E-21 /\n DATA ( ECS_REF( IO3_O3P_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.237238E-20, 2.744997E-20, 4.605586E-20, 3.200319E-20, \n & 5.504526E-21, 3.927087E-23, 1.550664E-21 /\n DATA ( ECS_REF( IO3_O3P_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.237238E-20, 2.744997E-20, 4.605586E-20, 3.200319E-20, \n & 5.504526E-21, 3.927087E-23, 1.550664E-21 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IO3_O3P_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E-01, 1.048305E-01, 4.465847E-01, 7.691193E-01, \n & 8.984871E-01, 9.239455E-01, 9.999999E-01 /\n DATA ( EQY_REF( IO3_O3P_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E-01, 1.048305E-01, 4.465847E-01, 7.691193E-01, \n & 8.984871E-01, 9.239455E-01, 9.999999E-01 /\n DATA ( EQY_REF( IO3_O3P_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E-01, 1.048305E-01, 4.465847E-01, 7.691193E-01, \n & 8.984871E-01, 9.239455E-01, 9.999999E-01 /\n\n\nC...O3_O1D_IUPAC04\nC.. O3 + HV = O(1D) + O2\nC.. From IUPAC Subcommittee on Gas Kinetic Data Evaluation\nC.. Data Sheet POx2, updated 2nd October 2001\nC.. Website: http://www.iupac-kinetic.ch.cam.ac.uk/\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, IO3_O1D_IUPAC04 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IO3_O1D_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.237238E-19, 2.618511E-19, 1.031290E-19, 4.161018E-20, \n & 6.126439E-21, 4.040724E-23, 0.000000E+00 /\n DATA ( CS_REF( IO3_O1D_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.237238E-19, 2.618511E-19, 1.031290E-19, 4.161018E-20, \n & 6.126439E-21, 4.040724E-23, 0.000000E+00 /\n DATA ( CS_REF( IO3_O1D_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.237238E-19, 2.618511E-19, 1.031290E-19, 4.161018E-20, \n & 6.126439E-21, 4.040724E-23, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IO3_O1D_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.000000E-01, 8.929039E-01, 5.359917E-01, 2.218193E-01, \n & 8.655906E-02, 1.629167E-02, 0.000000E+00 /\n DATA ( QY_REF( IO3_O1D_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.000000E-01, 8.929039E-01, 5.359917E-01, 2.218193E-01, \n & 8.655906E-02, 1.629167E-02, 0.000000E+00 /\n DATA ( QY_REF( IO3_O1D_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.000000E-01, 8.929039E-01, 5.359917E-01, 2.218193E-01, \n & 8.655906E-02, 1.629167E-02, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IO3_O1D_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 7.413514E-19, 2.344011E-19, 5.707319E-20, 9.606989E-21, \n & 6.219128E-22, 3.232562E-24, 0.000000E+00 /\n DATA ( ECS_REF( IO3_O1D_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 7.413514E-19, 2.344011E-19, 5.707319E-20, 9.606989E-21, \n & 6.219128E-22, 3.232562E-24, 0.000000E+00 /\n DATA ( ECS_REF( IO3_O1D_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 7.413514E-19, 2.344011E-19, 5.707319E-20, 9.606989E-21, \n & 6.219128E-22, 3.232562E-24, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IO3_O1D_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.000000E-01, 8.951695E-01, 5.534152E-01, 2.308807E-01, \n & 1.015129E-01, 7.999958E-02, 0.000000E+00 /\n DATA ( EQY_REF( IO3_O1D_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.000000E-01, 8.951695E-01, 5.534152E-01, 2.308807E-01, \n & 1.015129E-01, 7.999958E-02, 0.000000E+00 /\n DATA ( EQY_REF( IO3_O1D_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.000000E-01, 8.951695E-01, 5.534152E-01, 2.308807E-01, \n & 1.015129E-01, 7.999958E-02, 0.000000E+00 /\n\n\nC...HONO_IUPAC04\nC.. HONO + HV = HO + NO\nC.. From IUPAC Subcommittee on Gas Kinetic Data Evaluation\nC.. Data Sheet PNOx1_HONO, updated 16th July 2001\nC.. Website: http://www.iupac-kinetic.ch.cam.ac.uk/\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, IHONO_IUPAC04 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IHONO_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 4.780390E-21, 1.602461E-20, 3.132017E-20, \n & 9.264930E-20, 7.356076E-20, 0.000000E+00 /\n DATA ( CS_REF( IHONO_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 4.780390E-21, 1.602461E-20, 3.132017E-20, \n & 9.264930E-20, 7.356076E-20, 0.000000E+00 /\n DATA ( CS_REF( IHONO_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 4.780390E-21, 1.602461E-20, 3.132017E-20, \n & 9.264930E-20, 7.356076E-20, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IHONO_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 8.334302E-01, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 7.181830E-01, 0.000000E+00 /\n DATA ( QY_REF( IHONO_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 8.334302E-01, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 7.181830E-01, 0.000000E+00 /\n DATA ( QY_REF( IHONO_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 8.334302E-01, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 7.181830E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IHONO_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 4.780352E-21, 1.602461E-20, 3.132017E-20, \n & 9.264930E-20, 7.356075E-20, 0.000000E+00 /\n DATA ( ECS_REF( IHONO_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 4.780352E-21, 1.602461E-20, 3.132017E-20, \n & 9.264930E-20, 7.356075E-20, 0.000000E+00 /\n DATA ( ECS_REF( IHONO_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 4.780352E-21, 1.602461E-20, 3.132017E-20, \n & 9.264930E-20, 7.356075E-20, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IHONO_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 9.999921E-01, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999999E-01, 0.000000E+00 /\n DATA ( EQY_REF( IHONO_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 9.999921E-01, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999999E-01, 0.000000E+00 /\n DATA ( EQY_REF( IHONO_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 0.000000E+00, 9.999921E-01, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999999E-01, 0.000000E+00 /\n\n\nC...HO2NO2_IUPAC04\nC.. HOONO2 + HV = products\nC.. From IUPAC Subcommittee on Gas Kinetic Data Evaluation\nC.. Data Sheet PNOx3_HO2NO2, updated 16th July 2001\nC.. Website: http://www.iupac-kinetic.ch.cam.ac.uk/\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, IHO2NO2_IUPAC04 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IHO2NO2_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.591182E-20, 1.079995E-20, 5.527955E-21, 3.457478E-21, \n & 6.327416E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IHO2NO2_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.591182E-20, 1.079995E-20, 5.527955E-21, 3.457478E-21, \n & 6.327416E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IHO2NO2_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.591182E-20, 1.079995E-20, 5.527955E-21, 3.457478E-21, \n & 6.327416E-22, 0.000000E+00, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IHO2NO2_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 5.754197E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IHO2NO2_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 5.754197E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IHO2NO2_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 5.754197E-01, 0.000000E+00, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IHO2NO2_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.591182E-20, 1.079995E-20, 5.527955E-21, 3.457478E-21, \n & 6.327393E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IHO2NO2_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.591182E-20, 1.079995E-20, 5.527955E-21, 3.457478E-21, \n & 6.327393E-22, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IHO2NO2_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 2.591182E-20, 1.079995E-20, 5.527955E-21, 3.457478E-21, \n & 6.327393E-22, 0.000000E+00, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IHO2NO2_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.999964E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IHO2NO2_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.999964E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IHO2NO2_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.999964E-01, 0.000000E+00, 0.000000E+00 /\n\n\nC...HNO3_IUPAC04\nC.. HONO2 + HV = OH + NO2\nC.. From IUPAC Subcommittee on Gas Kinetic Data Evaluation\nC.. Data Sheet PNOx2_HONO2, updated 16th July 2001\nC.. Website: http://www.iupac-kinetic.ch.cam.ac.uk/\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, IHNO3_IUPAC04 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IHNO3_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.358854E-21, 1.954560E-21, 8.462490E-22, 3.649802E-22, \n & 4.770221E-23, 3.875286E-25, 0.000000E+00 /\n DATA ( CS_REF( IHNO3_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.358854E-21, 1.954560E-21, 8.462490E-22, 3.649802E-22, \n & 4.770221E-23, 3.875286E-25, 0.000000E+00 /\n DATA ( CS_REF( IHNO3_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.358854E-21, 1.954560E-21, 8.462490E-22, 3.649802E-22, \n & 4.770221E-23, 3.875286E-25, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IHNO3_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.142428E-01, 0.000000E+00 /\n DATA ( QY_REF( IHNO3_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.142428E-01, 0.000000E+00 /\n DATA ( QY_REF( IHNO3_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.142428E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IHNO3_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.358854E-21, 1.954560E-21, 8.462490E-22, 3.649802E-22, \n & 4.770221E-23, 3.875253E-25, 0.000000E+00 /\n DATA ( ECS_REF( IHNO3_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.358854E-21, 1.954560E-21, 8.462490E-22, 3.649802E-22, \n & 4.770221E-23, 3.875253E-25, 0.000000E+00 /\n DATA ( ECS_REF( IHNO3_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.358854E-21, 1.954560E-21, 8.462490E-22, 3.649802E-22, \n & 4.770221E-23, 3.875253E-25, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IHNO3_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999914E-01, 0.000000E+00 /\n DATA ( EQY_REF( IHNO3_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999914E-01, 0.000000E+00 /\n DATA ( EQY_REF( IHNO3_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999914E-01, 0.000000E+00 /\n\n\nC...N2O5_IUPAC04\nC.. N2O5 + HV = NO2 + NO3\nC.. From IUPAC Subcommittee on Gas Kinetic Data Evaluation\nC.. Data Sheet PNOx7_N2O5, updated 16th July 2001\nC.. Website: http://www.iupac-kinetic.ch.cam.ac.uk/\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, IN2O5_IUPAC04 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IN2O5_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.288716E-20, 3.284370E-20, 2.192962E-20, 1.512788E-20, \n & 6.068443E-21, 6.195751E-22, 9.185398E-26 /\n DATA ( CS_REF( IN2O5_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.288716E-20, 3.284370E-20, 2.192962E-20, 1.512788E-20, \n & 6.068443E-21, 6.195751E-22, 9.185398E-26 /\n DATA ( CS_REF( IN2O5_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.288716E-20, 3.284370E-20, 2.192962E-20, 1.512788E-20, \n & 6.068443E-21, 6.195751E-22, 9.185398E-26 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IN2O5_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.222279E-01, 9.980621E-01, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 4.477524E-03 /\n DATA ( QY_REF( IN2O5_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.222279E-01, 9.980621E-01, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 4.477524E-03 /\n DATA ( QY_REF( IN2O5_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.222279E-01, 9.980621E-01, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 4.477524E-03 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IN2O5_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.857826E-20, 3.276334E-20, 2.192962E-20, 1.512788E-20, \n & 6.068443E-21, 6.195751E-22, 9.184478E-26 /\n DATA ( ECS_REF( IN2O5_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.857826E-20, 3.276334E-20, 2.192962E-20, 1.512788E-20, \n & 6.068443E-21, 6.195751E-22, 9.184478E-26 /\n DATA ( ECS_REF( IN2O5_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.857826E-20, 3.276334E-20, 2.192962E-20, 1.512788E-20, \n & 6.068443E-21, 6.195751E-22, 9.184478E-26 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IN2O5_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.185266E-01, 9.975534E-01, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.998998E-01 /\n DATA ( EQY_REF( IN2O5_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.185266E-01, 9.975534E-01, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.998998E-01 /\n DATA ( EQY_REF( IN2O5_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 9.185266E-01, 9.975534E-01, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.998998E-01 /\n\n\nC...NTR_IUPAC04\nC.. i-C3H7ONO2 + HV = iC3H7O + NO2\nC.. From IUPAC Subcommittee on Gas Kinetic Data Evaluation\nC.. Data Sheet P17_i-C3H7ONO2+hv, updated 16th July 2001\nC.. Website: http://www.iupac-kinetic.ch.cam.ac.uk/\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, INTR_IUPAC04 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( INTR_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.228679E-20, 6.112268E-21, 3.012610E-21, 1.483086E-21, \n & 2.223501E-22, 1.206809E-24, 0.000000E+00 /\n DATA ( CS_REF( INTR_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.228679E-20, 6.112268E-21, 3.012610E-21, 1.483086E-21, \n & 2.223501E-22, 1.206809E-24, 0.000000E+00 /\n DATA ( CS_REF( INTR_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.228679E-20, 6.112268E-21, 3.012610E-21, 1.483086E-21, \n & 2.223501E-22, 1.206809E-24, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( INTR_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 2.282282E-01, 0.000000E+00 /\n DATA ( QY_REF( INTR_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 2.282282E-01, 0.000000E+00 /\n DATA ( QY_REF( INTR_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 2.282282E-01, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( INTR_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.228679E-20, 6.112268E-21, 3.012610E-21, 1.483086E-21, \n & 2.223501E-22, 1.206808E-24, 0.000000E+00 /\n DATA ( ECS_REF( INTR_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.228679E-20, 6.112268E-21, 3.012610E-21, 1.483086E-21, \n & 2.223501E-22, 1.206808E-24, 0.000000E+00 /\n DATA ( ECS_REF( INTR_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.228679E-20, 6.112268E-21, 3.012610E-21, 1.483086E-21, \n & 2.223501E-22, 1.206808E-24, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( INTR_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999989E-01, 0.000000E+00 /\n DATA ( EQY_REF( INTR_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999989E-01, 0.000000E+00 /\n DATA ( EQY_REF( INTR_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999989E-01, 0.000000E+00 /\n\n\nC...PAN_IUPAC04\nC.. CH3C(O)OONO2 + HV = CH3C(O)OO + NO2\nC.. From IUPAC Subcommittee on Gas Kinetic Data Evaluation\nC.. Data Sheet P21_CH3C(O)OONO2+hv, updated 16th July 2001\nC.. Website: http://www.iupac-kinetic.ch.cam.ac.uk/\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, IPAN_IUPAC04 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IPAN_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.530304E-21, 1.417995E-21, 6.732257E-22, 3.640895E-22, \n & 9.144017E-23, 1.308075E-24, 0.000000E+00 /\n DATA ( CS_REF( IPAN_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.530304E-21, 1.417995E-21, 6.732257E-22, 3.640895E-22, \n & 9.144017E-23, 1.308075E-24, 0.000000E+00 /\n DATA ( CS_REF( IPAN_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.530304E-21, 1.417995E-21, 6.732257E-22, 3.640895E-22, \n & 9.144017E-23, 1.308075E-24, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IPAN_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 6.613498E-02, 0.000000E+00 /\n DATA ( QY_REF( IPAN_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 6.613498E-02, 0.000000E+00 /\n DATA ( QY_REF( IPAN_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 6.613498E-02, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IPAN_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.530304E-21, 1.417995E-21, 6.732257E-22, 3.640895E-22, \n & 9.144017E-23, 1.308011E-24, 0.000000E+00 /\n DATA ( ECS_REF( IPAN_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.530304E-21, 1.417995E-21, 6.732257E-22, 3.640895E-22, \n & 9.144017E-23, 1.308011E-24, 0.000000E+00 /\n DATA ( ECS_REF( IPAN_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 3.530304E-21, 1.417995E-21, 6.732257E-22, 3.640895E-22, \n & 9.144017E-23, 1.308011E-24, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IPAN_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999513E-01, 0.000000E+00 /\n DATA ( EQY_REF( IPAN_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999513E-01, 0.000000E+00 /\n DATA ( EQY_REF( IPAN_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 9.999513E-01, 0.000000E+00 /\n\n\nC...PACD_CB05\nC.. PACD + HV = MEO2 + OH\nC.. CB05 Photolysis data for PACD\nC.. Supplied by Greg Yarwood, 11/16/2007\nC.. Ref: Gigure, P. A. and A. W. Olmos. Sur le spectre ultraviolet de l'acide peractique et l'hydrolyse des peractates.\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, IPACD_CB05 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IPACD_CB05, 1, IWLR ), IWLR = 1, 7 ) /\n & 7.759271E-22, 4.128915E-22, 2.430018E-22, 1.524875E-22, \n & 2.678573E-23, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IPACD_CB05, 1, IWLR ), IWLR = 1, 7 ) /\n & 7.759271E-22, 4.128915E-22, 2.430018E-22, 1.524875E-22, \n & 2.678573E-23, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IPACD_CB05, 1, IWLR ), IWLR = 1, 7 ) /\n & 7.759271E-22, 4.128915E-22, 2.430018E-22, 1.524875E-22, \n & 2.678573E-23, 0.000000E+00, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IPACD_CB05, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 3.584636E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IPACD_CB05, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 3.584636E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IPACD_CB05, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 3.584636E-01, 0.000000E+00, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IPACD_CB05, 1, IWLR ), IWLR = 1, 7 ) /\n & 7.759271E-22, 4.128915E-22, 2.430018E-22, 1.524875E-22, \n & 2.675543E-23, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IPACD_CB05, 1, IWLR ), IWLR = 1, 7 ) /\n & 7.759271E-22, 4.128915E-22, 2.430018E-22, 1.524875E-22, \n & 2.675543E-23, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IPACD_CB05, 1, IWLR ), IWLR = 1, 7 ) /\n & 7.759271E-22, 4.128915E-22, 2.430018E-22, 1.524875E-22, \n & 2.675543E-23, 0.000000E+00, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IPACD_CB05, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.988688E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IPACD_CB05, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.988688E-01, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IPACD_CB05, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 9.988688E-01, 0.000000E+00, 0.000000E+00 /\n\n\nC...MGLY_IUPAC04\nC.. CH3COCHO + hv ---> CH3CO + HCO\nC.. From IUPAC Subcommittee on Gas Kinetic Data Evaluation; IUPAC Stern-Volmer expression\nC.. Data Sheet P6_CH3COCHO+hv.pdf, updated 16th Jan, 2003\nC.. Website: http://www.iupac-kinetic.ch.cam.ac.uk/\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, IMGLY_IUPAC04 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IMGLY_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.380390E-20, 3.467067E-20, 2.430921E-20, 1.788231E-20, \n & 6.183693E-21, 3.700272E-20, 7.900482E-21 /\n DATA ( CS_REF( IMGLY_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.380390E-20, 3.467067E-20, 2.430921E-20, 1.788231E-20, \n & 6.183693E-21, 3.700272E-20, 7.900482E-21 /\n DATA ( CS_REF( IMGLY_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.380390E-20, 3.467067E-20, 2.430921E-20, 1.788231E-20, \n & 6.183693E-21, 3.700272E-20, 7.900482E-21 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IMGLY_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 5.166999E-01, 2.503723E-03 /\n DATA ( QY_REF( IMGLY_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 5.166999E-01, 2.503723E-03 /\n DATA ( QY_REF( IMGLY_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 5.166999E-01, 2.503723E-03 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IMGLY_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.380390E-20, 3.467067E-20, 2.430921E-20, 1.788231E-20, \n & 6.183693E-21, 8.170217E-21, 2.110402E-22 /\n DATA ( ECS_REF( IMGLY_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.380390E-20, 3.467067E-20, 2.430921E-20, 1.788231E-20, \n & 6.183693E-21, 8.170217E-21, 2.110402E-22 /\n DATA ( ECS_REF( IMGLY_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 4.380390E-20, 3.467067E-20, 2.430921E-20, 1.788231E-20, \n & 6.183693E-21, 8.170217E-21, 2.110402E-22 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IMGLY_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 2.208005E-01, 2.671232E-02 /\n DATA ( EQY_REF( IMGLY_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 2.208005E-01, 2.671232E-02 /\n DATA ( EQY_REF( IMGLY_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 2.208005E-01, 2.671232E-02 /\n\n\nC...CL2_IUPAC04\nC.. CL2 + HV = 2*CL\nC.. IUPAC Subcommittee on Gas Kinetic Data Evaluation; Data Sheet PCl11 Website: 15th December 2000\nC.. Website: http://www.iupac-kinetic.ch.cam.ac.uk\nC.. Assume these are point values (not specified in data source)\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, ICL2_IUPAC04 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( ICL2_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.824935E-20, 1.400673E-19, 1.841697E-19, 2.185163E-19, \n & 2.410845E-19, 6.539245E-20, 6.126823E-22 /\n DATA ( CS_REF( ICL2_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.824935E-20, 1.400673E-19, 1.841697E-19, 2.185163E-19, \n & 2.410845E-19, 6.539245E-20, 6.126823E-22 /\n DATA ( CS_REF( ICL2_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.824935E-20, 1.400673E-19, 1.841697E-19, 2.185163E-19, \n & 2.410845E-19, 6.539245E-20, 6.126823E-22 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( ICL2_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.135570E-01 /\n DATA ( QY_REF( ICL2_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.135570E-01 /\n DATA ( QY_REF( ICL2_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.135570E-01 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( ICL2_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.824935E-20, 1.400673E-19, 1.841697E-19, 2.185163E-19, \n & 2.410845E-19, 6.539245E-20, 6.126375E-22 /\n DATA ( ECS_REF( ICL2_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.824935E-20, 1.400673E-19, 1.841697E-19, 2.185163E-19, \n & 2.410845E-19, 6.539245E-20, 6.126375E-22 /\n DATA ( ECS_REF( ICL2_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 8.824935E-20, 1.400673E-19, 1.841697E-19, 2.185163E-19, \n & 2.410845E-19, 6.539245E-20, 6.126375E-22 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( ICL2_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.999270E-01 /\n DATA ( EQY_REF( ICL2_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.999270E-01 /\n DATA ( EQY_REF( ICL2_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.999270E-01 /\n\n\nC...HOCL_IUPAC04\nC.. HOCL + HV = HO + CL\nC.. IUPAC Subcommittee on Gas Kinetic Data Evaluation; Data Sheet PCl2 Website: 15th December 2000\nC.. Website: http://www.iupac-kinetic.ch.cam.ac.uk\nC.. Assume these are point values - not specified in data source\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, IHOCL_IUPAC04 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IHOCL_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.570116E-20, 6.066932E-20, 5.958157E-20, 5.377943E-20, \n & 3.120856E-20, 6.545257E-21, 1.172834E-23 /\n DATA ( CS_REF( IHOCL_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.570116E-20, 6.066932E-20, 5.958157E-20, 5.377943E-20, \n & 3.120856E-20, 6.545257E-21, 1.172834E-23 /\n DATA ( CS_REF( IHOCL_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.570116E-20, 6.066932E-20, 5.958157E-20, 5.377943E-20, \n & 3.120856E-20, 6.545257E-21, 1.172834E-23 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IHOCL_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.319226E-02 /\n DATA ( QY_REF( IHOCL_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.319226E-02 /\n DATA ( QY_REF( IHOCL_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 1.319226E-02 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IHOCL_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.570116E-20, 6.066932E-20, 5.958157E-20, 5.377943E-20, \n & 3.120856E-20, 6.545257E-21, 1.171487E-23 /\n DATA ( ECS_REF( IHOCL_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.570116E-20, 6.066932E-20, 5.958157E-20, 5.377943E-20, \n & 3.120856E-20, 6.545257E-21, 1.171487E-23 /\n DATA ( ECS_REF( IHOCL_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.570116E-20, 6.066932E-20, 5.958157E-20, 5.377943E-20, \n & 3.120856E-20, 6.545257E-21, 1.171487E-23 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IHOCL_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.988515E-01 /\n DATA ( EQY_REF( IHOCL_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.988515E-01 /\n DATA ( EQY_REF( IHOCL_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 1.000000E+00, \n & 1.000000E+00, 1.000000E+00, 9.988515E-01 /\n\n\nC...FMCL_IUPAC04\nC.. FMCL + hv --> HCO + CL\nC.. IUPAC Subcommittee on Gas Kinetic Data Evaluation; Data Sheet PCl28 Website: 15th December 2000\nC.. Website: http://www.iupac-kinetic.ch.cam.ac.uk\nC.. Reference: H. G. Libuda, F. Zabel, E. H. Fink, and K. H. Becker, J. Phys. Chem. 94, 5860 (1990)\n\nC... reference temperatures (K)\n\n DATA ( TEMP_REF( ITT, IFMCL_IUPAC04 ), ITT=1,3 ) / 298.0, 298.0, 298.0 /\n\nC... absorption cross sections averaged over UCI Solar Flux\n\n DATA ( CS_REF( IFMCL_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.320078E-21, 1.421314E-21, 2.242436E-22, 8.360540E-23, \n & 0.000000E+00, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IFMCL_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.320078E-21, 1.421314E-21, 2.242436E-22, 8.360540E-23, \n & 0.000000E+00, 0.000000E+00, 0.000000E+00 /\n DATA ( CS_REF( IFMCL_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.320078E-21, 1.421314E-21, 2.242436E-22, 8.360540E-23, \n & 0.000000E+00, 0.000000E+00, 0.000000E+00 /\n\nC... quantum yields averaged over UCI Solar Flux\n\n DATA ( QY_REF( IFMCL_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 7.811236E-01, \n & 0.000000E+00, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IFMCL_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 7.811236E-01, \n & 0.000000E+00, 0.000000E+00, 0.000000E+00 /\n DATA ( QY_REF( IFMCL_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 7.811236E-01, \n & 0.000000E+00, 0.000000E+00, 0.000000E+00 /\n\nC... ! CS*QY averaged over UCI Solar Flux\n\n DATA ( ECS_REF( IFMCL_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.320078E-21, 1.421314E-21, 2.242436E-22, 8.349450E-23, \n & 0.000000E+00, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IFMCL_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.320078E-21, 1.421314E-21, 2.242436E-22, 8.349450E-23, \n & 0.000000E+00, 0.000000E+00, 0.000000E+00 /\n DATA ( ECS_REF( IFMCL_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 5.320078E-21, 1.421314E-21, 2.242436E-22, 8.349450E-23, \n & 0.000000E+00, 0.000000E+00, 0.000000E+00 /\n\nC... ! eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model\n\n DATA ( EQY_REF( IFMCL_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 9.986735E-01, \n & 0.000000E+00, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IFMCL_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 9.986735E-01, \n & 0.000000E+00, 0.000000E+00, 0.000000E+00 /\n DATA ( EQY_REF( IFMCL_IUPAC04, 1, IWLR ), IWLR = 1, 7 ) /\n & 1.000000E+00, 1.000000E+00, 1.000000E+00, 9.986735E-01, \n & 0.000000E+00, 0.000000E+00, 0.000000E+00 /\n\n\n END MODULE CSQY_DATA\n" }, { "path": "UTIL/inline_phot_preproc/src/Make_processor", "content": "#! /bin/csh -f\n\nset echo\n\n#scom command defines compiler and libraries\nsource ~/scom -d -c ifc\n\n set mech_archive = /home/hwo/mech_git_archive\n setenv suffix AE_REFRACT\n setenv suffix v501\n setenv APPL cb05tump_ae6_aq\n setenv APPL cb05tucl-chlorine_update\n#setenv GC_INC ${mech_archive}/${APPL}\n#setenv APPL saprc07tc_ae6_aq\n#path of mechanism for gas phase chemistry RXCM.EXT and RXDT files\n#setenv GC_INC /home/hwo/cmaq-v5.0/mechanisms/ozone_tracer\n#setenv GC_INC /home/hwo/cmaq-v5.0/mechanisms/saprc07tc_xya_isoprene_v5_v50\n#setenv GC_INC /home/hwo/cmaq-v5.0/mechanisms/racm2_ae6_aq\n setenv GC_INC /home/hwo/tools/mech_processor/cb05tucl-chlorine_update\n setenv APPL ${APPL}_${suffix}\n# variable used to name executable, i.e., CSQY_TABLE_PROCESSOR_mechanism\n#setenv APPL ozone_tracer\n#setenv APPL racm2_ae6_aq\n\n#make clean\n\nmake -f Makefile\n\nexit()\n\n\n" }, { "path": "UTIL/inline_phot_preproc/src/Makefile", "content": "\nifndef EXEC\n MODEL = CSQY_TABLE_PROCESSOR.EXE\nelse\n MODEL = $(EXEC)\nendif\n\nifndef compiler\n compiler = gcc # other options (intel | pgi )\nendif\n \n GC_INC = $(INPDIR) \n MECH_INC = $(GC_INC)\n TRAC_INC = $(GC_INC)\n PROCAN_INC = $(GC_INC)\n\n INCLUDES = \\\n -DSUBST_RXCMMN=\\\"$(MECH_INC)/RXCM.EXT\\\" \\\n -DSUBST_RXDATA=\\\"$(MECH_INC)/RXDT.EXT\\\" \n\nifeq ($(compiler),intel)\n\nFC = ifort\nCC = icc\nF_FLAGS = -fixed -132 -O3 -override-limits -warn nounused -check uninit -check bounds -check format -g -traceback -override-limits -fno-alias -mp1 -I . -g\nf_FLAGS = -fixed -132 -O3 -override-limits -warn nounused -check uninit -check bounds -check format -g -traceback -override-limits -fno-alias -mp1 -I . -g\nC_FLAGS = -O2 -DFLDMN=1\nLINK_FLAGS = -static-intel\n\nelse\n FC = pgf90\n CC = pgcc\n \n # compiler options for subroutines\n F_FLAGS = -Mfixed -Mextend -Mbounds -Mchkfpstk -Mchkptr -Mchkstk -traceback -Ktrap=fp -O3 -I . -g\n f_FLAGS = -Mfixed -Mextend -Mbounds -Mchkfpstk -Mchkptr -Mchkstk -traceback -Ktrap=fp -O3 -I . -g\n C_FLAGS = -O2 -DFLDMN=1\n LINK_FLAGS = -Bstatic -Bstatic_pgi\n\n ifeq ($(compiler),gcc)\n FC = gfortran\n CC = gcc\n\n f_FLAGS = -ffixed-form -ffixed-line-length-132 -O3 -funroll-loops -I. -fbounds-check\n F_FLAGS = $(f_FLAGS)\n f90_FLAGS = -cpp -ffree-form -ffree-line-length-none -O3 -funroll-loops -I. -fbounds-check\n F90_FLAGS = $(f90_FLAGS)\n C_FLAGS = -O2 -DFLDMN -I /home/wdx/lib/x86_64/gcc/mpich/include\n LINKER = $(FC)\n LINK_FLAGS = \n endif\n\nendif\n\n\n\n LIBRARIES = \\\n -L$(lib_path)/ioapi_3/$(LIOAPI) -lioapi \\\n\n LIBRARIES = \n \n IOAPI_INC = $(lib_path)/ioapi_3/ioapi/fixed_src\n MPI_INC = $(lib_path)/mpich/include\n\n\n# create_module.o \\\n# wrt_csqy_data.o \\\n\n#CHECK_CSQY_DATA.o \\\n\n OBJECTS =\\\n BIN_DATA.o \\\n CSQY_PARAMETERS.o \\\n ALBEDO_REFER_DATA.o \\\n CSQY_REFER_DATA.o \\\n driver.o \\\n intavg_b.o \\\n intavg_c.o \\\n intavg.o \\\n wrt_csqy_data.o \\\n wrt_csqy_data_only.o \\\n wrt_optics_data.o \\\n optics_water_cloud.o \\\n optics_ice_cloud.o \\\n aero_refract_index.o \\\n process_csqys.o \\\n spectral_reflect.o \\\n wvbin_average-b.o \\\n wvbin_average.o \\\n xc_qy_td_effect_v3.o \\\n convert_case.o \\\n nameval.o\n \n# wrbf12d.o \\\n# wrbf12d_w_headerb.o \\\n\n.SUFFIXES: .F .f .c\n\n$(MODEL): $(OBJECTS)\n\t$(FC) $(LINK_FLAGS) $(OBJECTS) $(LIBRARIES) -o $@\n\n.F.o:\n\t$(FC) -c $(F_FLAGS) $(CPP_FLAGS) $(INCLUDES) $<\n\n.f.o:\n\t$(FC) $(F_FLAGS) -c $<\n\n\n.c.o:\n\t$(CC) $(C_FLAGS) -c $<\n\nclean:\n\trm -f *.o $(BASE)_* *.mod\n \n" }, { "path": "UTIL/inline_phot_preproc/src/aero_refract_index.F", "content": "\nC***********************************************************************\nC Portions of Models-3/CMAQ software were developed or based on *\nC information from various groups: Federal Government employees, *\nC contractors working on a United States Government contract, and *\nC non-Federal sources (including research institutions). These *\nC research institutions have given the Government permission to *\nC use, prepare derivative works, and distribute copies of their *\nC work in Models-3/CMAQ to the public and to permit others to do *\nC so. EPA therefore grants similar permissions for use of the *\nC Models-3/CMAQ software, but users are requested to provide copies *\nC of derivative works to the Government without restrictions as to *\nC use by others. Users are responsible for acquiring their own *\nC copies of commercial software associated with Models-3/CMAQ and *\nC for complying with vendor requirements. Software copyrights by *\nC the MCNC Environmental Modeling Center are used with their *\nC permissions subject to the above restrictions. *\nC***********************************************************************\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header$ \n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE AERO_REFRACT_INDEX ( NAERO_REFRACT, AERO_REFRACT_INDX, AERO_REAL_REFRACT,\n & AERO_IMAG_REFRACT )\n \nC*********************************************************************\nC\nC the subroutine reads and interpolates data files for the refractive\nC indices of the aerosol components.\nC\nC*********************************************************************\n\n\n USE GET_ENV_VARS \n USE BIN_DATA\n USE CSQY_PARAMETERS\n\n IMPLICIT NONE\nC...Arguements:\n\n INTEGER, INTENT( IN ) :: NAERO_REFRACT ! number of refractive indices\n CHARACTER( 16 ), INTENT( IN ) :: AERO_REFRACT_INDX( : ) ! names of refractive indices\n REAL, INTENT( OUT ) :: AERO_IMAG_REFRACT( :, : ) ! imaginary part of index [Dimensionaless]\n REAL, INTENT( OUT ) :: AERO_REAL_REFRACT( :, : ) ! real part of index [Dimensionaless]\n\nC...........PARAMETERS and their descriptions\n \n INTEGER, PARAMETER :: XSTAT1 = 1 ! I/O ERROR exit status\n INTEGER, PARAMETER :: XSTAT2 = 2 ! Program ERROR exit status\n\nC...........ARGUMENTS and their descriptions\n \n REAL STWL ( MXWL ) ! wavelength band lower limit\n REAL ENDWL( MXWL ) ! wavelength band upper limit\n\nC...........LOCAL VARIABLES and their descriptions:\n\n CHARACTER( 1 ) :: SPECTRA_TYPE ! type of data points\n CHARACTER( 16 ) :: PNAME = 'AERO_REFRACT_INDEX' ! program name\n\n! CHARACTER*16 CQDIR ! directory for CSQY data\n! DATA CQDIR / 'CSQY' /\n \n CHARACTER( 16 ) :: REFRACT_ID ! name of refractive index\n CHARACTER( 132 ) :: AERO_FILE ! input filename buffer\n CHARACTER( 132 ) :: MSG = ' ' ! message\n\n CHARACTER( 120 ) FILE_LINE\n\n INTEGER IWL ! wavelength index\n INTEGER NWL ! # of wlbands\n INTEGER NWLIN ! # of wlbands (infile)\n INTEGER IAERO ! reaction index\n INTEGER AEUNIT ! cross section/qy io unit\n INTEGER IOST ! io status\n INTEGER LASTNB1\n INTEGER LASTNB2\n\n REAL FACTOR ! multiplying factor for CS\n REAL WLIN ( MXWLIN ) ! wl for input cs/qy data\n REAL REFRACT_OUT( MXWL ) ! interpolated index\n\n REAL, ALLOCATABLE :: REAL_REFRACT_IN ( : ) ! raw real refractive index\n REAL, ALLOCATABLE :: IMAG_REFRACT_IN ( : ) ! raw imaginary refractive index\n REAL, ALLOCATABLE :: WAVE( : ), XDUMB( : ), YDUMB( : ), ZDUMB( : )\n \n INTEGER :: NDUMB\n REAL, ALLOCATABLE :: WAVE_OUTL( : ), WAVE_OUTU( : ), WAVE_OUTC( : )\n\n CHARACTER( 16 ) FILE_NAME\nC...........EXTERNAL FUNCTIONS and their descriptions:\n\n INTEGER JUNIT ! used to get next IO unit #\n\n REAL :: WLL_AVE( MXWL ) ! lower limit on wl int ETin\n REAL :: WLU_AVE( MXWL ) ! upper limit on wl int ETin\n INTEGER :: NWL_AVE\n\n CHARACTER( 25 ) :: CSQY_LABEL\n \n CHARACTER( 586 ) :: REFRACT_FILE\n CHARACTER( 32 ) :: ENV_VAR_NAME \n \n! REAL, ALLOCATABLE :: AERO_IMAG_REFRACT( :, : )\n! REAL, ALLOCATABLE :: AERO_REAL_REFRACT( :, : )\n\n INTERFACE\n SUBROUTINE WVBIN_AVERAGE(WL_CS_IN, CS_IN, NWL_CS_IN, \n & WL_QY_IN, QY_IN, NWL_QY_IN, \n & SPECTRA_TYPE,\n & WLL_AVE, WLU_AVE, NWL_AVE, \n & CS_AVE, QY_AVE )\n CHARACTER(1), INTENT( IN ) :: SPECTRA_TYPE ! spectra type\n INTEGER, INTENT( IN ) :: NWL_AVE ! number of intervals average \n INTEGER, INTENT( IN ) :: NWL_CS_IN ! number of intervals CS_IN\n INTEGER, INTENT( IN ) :: NWL_QY_IN ! number of intervals CS_IN\n REAL, INTENT( IN ) :: WL_CS_IN( : ) ! wl for CS_IN\n REAL, INTENT( IN ) :: WL_QY_IN( : ) ! wl for QY_IN\n REAL, INTENT( IN ) :: CS_IN( : ) ! cross-section as f(WLIN)\n REAL, INTENT( IN ) :: QY_IN( : ) ! quantum yield as f(WLIN)\n REAL, INTENT( INOUT ) :: WLL_AVE( : ) ! lower limit on wl effective interval\n REAL, INTENT( INOUT ) :: WLU_AVE( : ) ! upper limit on wl effective interval\n REAL, INTENT( INOUT ) :: CS_AVE( : ) ! cross-section as f(WL_AVE)\n REAL, INTENT( INOUT ) :: QY_AVE( : ) ! quantum yield as f(WL_AVE)\n END SUBROUTINE WVBIN_AVERAGE\n SUBROUTINE WVBIN_AVERAGE_B(WL_CS_IN, CS_IN, NWL_CS_IN, \n & WL_QY_IN, QY_IN, NWL_QY_IN, \n & SPECTRA_TYPE,\n & WLL_AVE, WLU_AVE, NWL_AVE, \n & CS_AVE, QY_AVE )\n CHARACTER(1), INTENT( IN ) :: SPECTRA_TYPE ! spectra type\n INTEGER, INTENT( IN ) :: NWL_AVE ! number of intervals average \n INTEGER, INTENT( IN ) :: NWL_CS_IN ! number of intervals CS_IN\n INTEGER, INTENT( IN ) :: NWL_QY_IN ! number of intervals CS_IN\n REAL, INTENT( IN ) :: WL_CS_IN( : ) ! wl for CS_IN\n REAL, INTENT( IN ) :: WL_QY_IN( : ) ! wl for QY_IN\n REAL, INTENT( IN ) :: CS_IN( : ) ! cross-section as f(WLIN)\n REAL, INTENT( IN ) :: QY_IN( : ) ! quantum yield as f(WLIN)\n REAL, INTENT( INOUT ) :: WLL_AVE( : ) ! lower limit on wl effective interval\n REAL, INTENT( INOUT ) :: WLU_AVE( : ) ! upper limit on wl effective interval\n REAL, INTENT( INOUT ) :: CS_AVE( : ) ! cross-section as f(WL_AVE)\n REAL, INTENT( INOUT ) :: QY_AVE( : ) ! quantum yield as f(WL_AVE)\n END SUBROUTINE WVBIN_AVERAGE_B\n END INTERFACE \n\n\nC*********************************************************************\n\n ALLOCATE( XDUMB( MXWLIN ), ZDUMB( MXWLIN ), YDUMB( MXWLIN) )\n\n ALLOCATE( WAVE_OUTC( MXWLIN ), WAVE_OUTL( MXWLIN ), WAVE_OUTU( MXWLIN )) \n\nC...get a unit number for AERO files\n\n AEUNIT = 125\n\n LOOP_REFRACT: DO IAERO = 1, NAERO_REFRACT\n\nC...open input file\n CALL VALUE_NAME( AERO_REFRACT_INDX( IAERO ), REFRACT_FILE )\n\n AERO_FILE = TRIM( AERO_REFRACT_INDX( IAERO ) )\n\n OPEN( UNIT = AEUNIT,\n & FILE = REFRACT_FILE,\n & STATUS = 'OLD',\n & IOSTAT = IOST )\n \n\nC...check for open errors\n\n IF ( IOST .NE. 0) THEN\n MSG = 'Could not open ' // TRIM( AERO_FILE ) // ' file at path: '\n & // TRIM(REFRACT_FILE) \n WRITE(*,*)MSG\n STOP\n END IF\n\n WRITE( 6, 2001 ) TRIM( AERO_FILE ), TRIM(REFRACT_FILE) \n\n\nC...read refractive index subgroup id\n\n READ( AEUNIT, 1001, IOSTAT = IOST ) REFRACT_ID\n\nC...check for read errors\n\n IF ( IOST .NE. 0) THEN\n MSG = 'Errors occurred while reading data file ' //\n & TRIM(REFRACT_FILE)\n WRITE(*,*)MSG\n STOP\n END IF\n\nC...get type of data (e.g. centered, beginning, ending, or point wavelen\n\n SPECTRA_TYPE = '!'\n\n DO WHILE( SPECTRA_TYPE .EQ. '!' )\n READ( AEUNIT, '(A)', IOSTAT = IOST ) FILE_LINE\nC... check for read errors\n IF ( IOST .NE. 0) THEN\n MSG = 'Errors occurred while reading refractive index for ' //\n & TRIM( AERO_REFRACT_INDX( IAERO ) )\n WRITE(*,*)MSG\n STOP\n END IF\n SPECTRA_TYPE = FILE_LINE(1:1)\n END DO\n\nC...reinitialize arrays\n\n DO IWL = 1, MXWLIN\n WLIN( IWL ) = 0.0\n XDUMB( IWL ) = 0.0\n YDUMB( IWL ) = 0.0\n END DO\n\nC...loop over the number of wavelengths and continue reading\n\n IWL = 0\n201 CONTINUE\n\n IOST = 0\n\n DO WHILE ( IOST .EQ. 0 )\n IWL = IWL + 1\n IF( IWL .EQ. 1 )THEN\n READ( FILE_LINE, *, IOSTAT = IOST ) WLIN( IWL ), XDUMB( IWL ),\n & YDUMB( IWL ) \n ELSE\n READ( AEUNIT, *, IOSTAT = IOST ) WLIN( IWL ), XDUMB( IWL ),\n & YDUMB( IWL )\n END IF\n\nC...check for read errors\n IF ( IOST .GT. 0) THEN\n MSG = 'Errors occurred while reading WL, REFRACT_INDX for ' //\n & TRIM( AERO_REFRACT_INDX( IAERO ) )\n WRITE(*,*)MSG\n STOP\n END IF\n END DO\n\n\nC...adjust loop counter index index and close file\n\n NWLIN = IWL + 1 ! - 1\n \n ALLOCATE( WAVE( NWLIN ), IMAG_REFRACT_IN( NWLIN ), REAL_REFRACT_IN( NWLIN ))\n print*,'NWLIN = ',NWLIN\n WAVE( 1:NWLIN-2 ) = 1000.0 * WLIN( 1:NWLIN-2 )\n REAL_REFRACT_IN( 1:NWLIN-2 ) = XDUMB( 1:NWLIN-2 )\n IMAG_REFRACT_IN( 1:NWLIN-2 ) = YDUMB( 1:NWLIN-2 )\n\n WAVE( NWLIN-1 ) = WAVE( NWLIN-2 ) + 4000.0\n REAL_REFRACT_IN( NWLIN-1 ) = XDUMB( NWLIN-2 )\n IMAG_REFRACT_IN( NWLIN-1 ) = YDUMB( NWLIN-2 )\n\n WAVE( NWLIN ) = WAVE( NWLIN-2 ) + 4500.0\n REAL_REFRACT_IN( NWLIN ) = XDUMB( NWLIN-2 )\n IMAG_REFRACT_IN( NWLIN ) = YDUMB( NWLIN-2 )\n\n! WRITE(6,'(3(es12.4,1X))')(WAVE(iwl),REAL_REFRACT_IN(iwl),REAL_REFRACT_IN(iwl),iwl=1,NWLIN)\n \n CLOSE( AEUNIT )\n\nC...transform the cs data to the same wavelength intervals as\nC... the irradiance data.\n\n XDUMB = 1.0\n NDUMB = NWLIN\n\n CALL WVBIN_AVERAGE(WAVE, REAL_REFRACT_IN, NDUMB, WAVE, XDUMB, NDUMB, 'P',\n & WAVE_OUTL, WAVE_OUTU, MXWLIN, YDUMB, XDUMB )\n\n AERO_REAL_REFRACT( 1:NJO_NEW, IAERO ) = YDUMB( 1:NJO_NEW )\n\n CALL WVBIN_AVERAGE(WAVE, IMAG_REFRACT_IN, NDUMB, WAVE, XDUMB, NDUMB, 'P',\n & WAVE_OUTL, WAVE_OUTU, MXWLIN, YDUMB, XDUMB )\n\n AERO_IMAG_REFRACT( 1:NJO_NEW, IAERO ) = YDUMB( 1:NJO_NEW )\n \n! do iwl = 1, njo_new\n! WRITE(6,'(3(es12.4,1X))')WAVE_OUTL(iwl),AERO_REAL_REFRACT( iwl, IAERO ),\n! & AERO_IMAG_REFRACT( iwl, IAERO )\n! end do\n \n DEALLOCATE( WAVE, REAL_REFRACT_IN, IMAG_REFRACT_IN )\n\n END DO LOOP_REFRACT\n \n\nC...formats\n\n1001 FORMAT( A16 )\n1003 FORMAT( A1 )\n1005 FORMAT( /, 4X, F10.1 )\n\n2001 FORMAT( 1X, '...Processing AERO Refractive index: ', A, \n & ' in file: ', / A )\n2003 FORMAT( 1X, '...Data for ', I4, ' wavelengths read from file',\n & // )\n\n RETURN\n END\n" }, { "path": "UTIL/inline_phot_preproc/src/convert_case.f", "content": " SUBROUTINE CONVERT_CASE ( BUFFER, UPPER )\nC***********************************************************************\n\nC subroutine body starts at line 41\nC\nC FUNCTION: converts to upcase or lower the text in BUFFER\nC based on values of logic flag UPPER\nC\nC PRECONDITIONS REQUIRED: text is ASCII\nC\nC SUBROUTINES AND FUNCTIONS CALLED: none\nC\nC REVISION HISTORY: prototype 1/91 by CJC\nC\nC***********************************************************************\n\n IMPLICIT NONE\n\nC........... ARGUMENTS and their descriptions:\n\n CHARACTER(LEN= *), INTENT( INOUT ) :: BUFFER\n LOGICAL, INTENT( IN ) :: UPPER\n\n\nC........... PARAMETER: ASCII for 'a', 'z', 'A'\n\n INTEGER IA, IZ, AADIF\n\n PARAMETER ( IA = 97,\n & IZ = 122,\n & AADIF = 32 )\n\n\nC........... SCRATCH LOCAL VARIABLES and their descriptions:\n\n INTEGER I, L\n INTEGER C\n INTEGER FACTOR\n INTEGER STRT, FINI\n \n\n\nC***********************************************************************\nC begin body of subroutine UPCASE\n\n L = LEN ( BUFFER )\n IF( UPPER )THEN\n FACTOR = - AADIF\n STRT = IA\n FINI = IZ\n ELSE\n FACTOR = AADIF\n STRT = IA - AADIF\n FINI = IZ - AADIF\n END IF\n \n DO 111 I = 1 , L\n C = ICHAR ( BUFFER ( I:I ) )\n IF ( C .GE. STRT .AND. C .LE. FINI ) THEN\n BUFFER ( I:I ) = CHAR ( C + FACTOR )\n END IF\n111 CONTINUE ! end loop on I\n\n RETURN\n END SUBROUTINE CONVERT_CASE\n" }, { "path": "UTIL/inline_phot_preproc/src/create_module.F", "content": " SUBROUTINE CREATE_MODULE( WLIN, CS_IN, QY_IN, NWLIN, SPECTRA_NAME, SPECTRA_TYPE,\n & WLL_AVE, WLU_AVE, CS_AVE, QY_AVE, NWL_AVE )\n\n USE GET_ENV_VARS\n \n USE JPROC_PROFILE\n USE BIN_DATA\n USE JPROC_PHOT_DATA\n\n IMPLICIT NONE \n \n! INCLUDE 'JVALPARMS.EXT' ! jproc parameters\n\n\nC...........ARGUMENTS and their descriptions\n\n CHARACTER( 1), INTENT( IN ) :: SPECTRA_TYPE ! spectra type\n CHARACTER(16), INTENT( IN ) :: SPECTRA_NAME ! spectra type\n INTEGER, INTENT( IN ) :: NWLIN ! number of intervals CQin\n REAL, INTENT( IN ) :: WLIN ( MXWLIN ) ! wl for CQin\n REAL, INTENT( IN ) :: CS_IN( MXWLIN ) ! cross-section as f(WLIN)\n REAL, INTENT( IN ) :: QY_IN( MXWLIN ) ! quantum yield as f(WLIN)\n REAL, INTENT( OUT) :: WLL_AVE( MXWL ) ! lower limit on wl int ETin\n REAL, INTENT( OUT ) :: WLU_AVE( MXWL ) ! upper limit on wl int ETin\n REAL, INTENT( OUT ) :: CS_AVE( MXWL ) ! cross-section as f(WL_AVE)\n REAL, INTENT( OUT ) :: QY_AVE( MXWL ) ! quantum yield as f(WL_AVE)\n INTEGER, INTENT( OUT ) :: NWL_AVE\n\nC...........LOCAL VARIABLES and their descriptions:\n \n CHARACTER(16) :: PNAME = 'CREATE_MODULE' ! program name\n CHARACTER(80) :: MSG = ' ' ! message\n\nC...........PARAMETERS and their descriptions\n\n! INTEGER, PARAMETER :: XSTAT2 = 2 ! Program ERROR exit status\n! integer, parameter :: NBO = 100\n! integer, parameter :: NSO = 40000\n! integer, parameter :: NZO = 13550\n! integer, parameter :: NJO = 18 \n\n! INTEGER, SAVE :: NB, J1, J2, K1, K2 ! array limits and markers\n INTEGER :: I, J, K ! index counters\n\n REAL, ALLOCATABLE, SAVE :: WLIN1( : ) ! lower limit on wl int CQin\n REAL, ALLOCATABLE, SAVE :: WLIN2( : ) ! upper limit on wl int CQin\n\n! REAL(8), SAVE :: SRB(15,NJO)\n! REAL(8), SAVE :: WBIN(NBO + 1 )\n! REAL(8) :: FBIN(NBO)\n! REAL(8) :: ABIN(NBO)\n! REAL(8) :: CBIN(NBO)\n! REAL(8) :: DBIN(NBO)\n! REAL(8) :: EBIN(NBO)\n\n REAL(8), ALLOCATABLE, SAVE :: FBIN( : )\n REAL(8), ALLOCATABLE, SAVE :: ABIN( : )\n REAL(8), ALLOCATABLE, SAVE :: CBIN( : )\n REAL(8), ALLOCATABLE, SAVE :: DBIN( : )\n REAL(8), ALLOCATABLE, SAVE :: EBIN( : )\n\n REAL :: TEMP ! temperature, K\n REAL(8) :: WW \n\n REAL(8), ALLOCATABLE, SAVE :: FFBIN( : )\n REAL(8), ALLOCATABLE, SAVE :: AABIN( : )\n REAL(8), ALLOCATABLE, SAVE :: CCBIN( : )\n REAL(8), ALLOCATABLE, SAVE :: DDBIN( : )\n REAL(8), ALLOCATABLE, SAVE :: EEBIN( : )\n\n\n! INTEGER, SAVE :: IJX(NBO)\n INTEGER :: ITTR\n\n! REAL, ALLOCATABLE, SAVE :: W(:), F(:)\n REAL, ALLOCATABLE, SAVE :: XCOUT(:), QYOUT(:)\n! REAL, ALLOCATABLE, SAVE :: WL(:), WU(:), WC(:)\n! INTEGER, SAVE :: IBINJ(NSO)\n REAL :: XNEW\n\n CHARACTER(8) :: TITLNEW\n CHARACTER(16) :: SAFE_NAME\n CHARACTER(60) :: VNAME\n\n\n\n LOGICAL, SAVE :: FIRSTCALL = .TRUE.\n\n\n REAL, SAVE :: TEMPERATURE(N_TEMPERATURE)\n REAL :: DELTA_TEMP\n REAL :: TEMP_STRT, TEMP_FINI\n REAL, SAVE :: TEMP_STRAT(N_TEMP_STRAT)\n\n INTEGER :: IRXN\n\n INTEGER, PARAMETER :: NZ = 1\n REAL :: AIR_TEMP(NZ) = 298 ! air temperature [K]\n REAL :: NUM_DENS(NZ) = DENS0 ! air number density [molec/cm3]\n LOGICAL :: REPLACE ! flag to use sq values in calling routine \n\n REAL, ALLOCATABLE, SAVE :: XCROSS( : , : ) ! NZ, NJO) ! cross-section [CM2]\n REAL, ALLOCATABLE, SAVE :: YIELD(: , : ) ! NZ, NJO) ! quantum yield [dimensionaless]\n REAL, ALLOCATABLE, SAVE :: XCROSS_EFF(: , : ) ! NZ,NJO) ! cross-section times yield [CM2]\n\n REAL, ALLOCATABLE, SAVE :: WC_EXT( : )\n REAL, ALLOCATABLE, SAVE :: WC_ASF( : )\n REAL, ALLOCATABLE, SAVE :: WC_SSA( : )\n\n REAL, PARAMETER :: CLOUD_RADIUS_LIQUID = 10.0 ! mean cloud droplet radii, um\n\n INTEGER, PARAMETER :: NAERO_REFRACT = 5 \n\n LOGICAL, SAVE :: WRITE_AE_REFRACT = .FALSE. ! .FALSE.\n\n CHARACTER( 5 ) :: WVL_AE_REFRAC\n CHARACTER( 13 ) :: AERO_INDEX = 'WVL_AE_REFRAC'\n\n CHARACTER( 16 ) :: AERO_REFRACT_INDX( NAERO_REFRACT ) \n DATA AERO_REFRACT_INDX / \"WATER\", \"SOLUTE\", \"DUST\", \"SEASALT\", \"SOOT\" /\n\n REAL, ALLOCATABLE :: AERO_IMAG_REFRACT( :, : )\n REAL, ALLOCATABLE :: AERO_REAL_REFRACT( :, : )\n\n REAL, ALLOCATABLE, SAVE :: MODIS_ALBEDO( :, :) ! NJO, NUMB_LANDUSE_MODIS )\n\n REAL, ALLOCATABLE, SAVE :: CS_PHOT( :, :, :) ! N_TEMPERATURE, N_INLINE_BAND, NPHOTAB)\n REAL, ALLOCATABLE, SAVE :: QY_PHOT( :, :, :) ! N_TEMPERATURE, N_INLINE_BAND, NPHOTAB)\n REAL, ALLOCATABLE, SAVE :: ECS_PHOT( :, :, :) ! N_TEMPERATURE, N_INLINE_BAND, NPHOTAB)\n REAL, ALLOCATABLE, SAVE :: EQY_PHOT( :, :, :) ! N_TEMPERATURE, N_INLINE_BAND, NPHOTAB)\n\n REAL, ALLOCATABLE, SAVE :: O3_CS_STRAT( :, :) ! N_TEMP_STRAT, N_INLINE_BAND)\n REAL, ALLOCATABLE, SAVE :: O3_QY_STRAT( :, :) ! N_TEMP_STRAT, N_INLINE_BAND)\n REAL, ALLOCATABLE, SAVE :: O3_ECS_STRAT( :, :) ! N_TEMP_STRAT, N_INLINE_BAND)\n REAL, ALLOCATABLE, SAVE :: O3_EQY_STRAT( :, :) ! N_TEMP_STRAT, N_INLINE_BAND)\n\n REAL, EXTERNAL :: OZONE_YIELD\n\n INTERFACE\n SUBROUTINE XC_QY_TD_EFFECT(wc,nw,tlev,dens,nz,\n & jlabel,xc,qy,sq,replace)\n USE JPROC_PHOT_DATA\n IMPLICIT NONE\n INTEGER, INTENT( IN ) :: nw\n REAL, INTENT( IN ) :: wc(:)\n INTEGER, INTENT( IN ) :: nz\n REAL, INTENT( IN ) :: tlev(:) ! air temperature over model levels, deg K\n REAL, INTENT( IN ) :: dens(:) ! air number density over level, 1/cm3\n CHARACTER(16), INTENT( IN ) :: jlabel ! name of photolysis rate\n REAL, INTENT( INOUT ) :: xc(:,:) ! cross-section from file\n REAL, INTENT( INOUT ) :: qy(:,:) ! quantum yield from file\n REAL, INTENT( OUT ) :: sq(:,:) ! cross-section times quantum yield over model levels\n LOGICAL, INTENT( OUT ) :: REPLACE ! flag to use sq values in calling routine \n END SUBROUTINE XC_QY_TD_EFFECT\n SUBROUTINE INTAVG ( WLIN, CQIN, NWLIN, SPECTRA_TYPE,\n & NWLOUT, WLOUT1, WLOUT2, CQOUT )\n USE JPROC_PROFILE\n IMPLICIT NONE \n CHARACTER(1), INTENT( IN ) :: SPECTRA_TYPE ! spectra type\n INTEGER, INTENT( IN ) :: NWLOUT ! number of intervals ETin\n INTEGER, INTENT( IN ) :: NWLIN ! number of intervals CQin\n REAL, INTENT( IN ) :: WLIN ( MXWLIN ) ! wl for CQin\n REAL, INTENT( IN ) :: CQIN( MXWLIN ) ! quantity (CS or QY) as f(WLIN)\n REAL, INTENT( INOUT ) :: WLOUT1( : ) ! lower limit on wl int ETin\n REAL, INTENT( INOUT ) :: WLOUT2( : ) ! upper limit on wl int ETin\n REAL, INTENT( OUT ) :: CQOUT ( : ) ! quantity (CS or QY) as f(WLOUT)\n END SUBROUTINE INTAVG\n SUBROUTINE INTAVG_C ( WLIN, CQIN, NWLIN, SPECTRA_TYPE,\n & NWLOUT, WLOUT1, WLOUT2, CQOUT )\n USE JPROC_PROFILE\n IMPLICIT NONE \n CHARACTER(1), INTENT( IN ) :: SPECTRA_TYPE ! spectra type\n INTEGER, INTENT( IN ) :: NWLOUT ! number of intervals ETin\n INTEGER, INTENT( IN ) :: NWLIN ! number of intervals CQin\n REAL, INTENT( IN ) :: WLIN ( MXWLIN ) ! wl for CQin\n REAL, INTENT( IN ) :: CQIN( MXWLIN ) ! quantity (CS or QY) as f(WLIN)\n REAL, INTENT( INOUT ) :: WLOUT1( : ) ! lower limit on wl int ETin\n REAL, INTENT( INOUT ) :: WLOUT2( : ) ! upper limit on wl int ETin\n REAL, INTENT( OUT ) :: CQOUT ( : ) ! quantity (CS or QY) as f(WLOUT)\n END SUBROUTINE INTAVG_C\n SUBROUTINE OPTICS_WATER_CLOUD(CLOUD_RADIUS_LIQUID, WC_EXT, WC_ASF, WC_SSA)\n USE BIN_DATA\n USE JPROC_PROFILE\n IMPLICIT NONE\n REAL, INTENT( IN ) :: CLOUD_RADIUS_LIQUID\n REAL, INTENT( OUT ) :: WC_EXT( : )\n REAL, INTENT( OUT ) :: WC_ASF( : )\n REAL, INTENT( OUT ) :: WC_SSA( : )\n END SUBROUTINE OPTICS_WATER_CLOUD\n SUBROUTINE AERO_REFRACT_INDEX ( NAERO_REFRACT, AERO_REFRACT_INDX, AERO_REAL_REFRACT,\n & AERO_IMAG_REFRACT )\n USE BIN_DATA\n\t USE JPROC_PROFILE\n IMPLICIT NONE\n INTEGER, INTENT( IN ) :: NAERO_REFRACT ! number of refractive indices\n CHARACTER( 16 ), INTENT( IN ) :: AERO_REFRACT_INDX( : ) ! names of refractive indices\n REAL, INTENT( OUT ) :: AERO_IMAG_REFRACT( :, : ) ! imaginary part of index [Dimensionaless]\n REAL, INTENT( OUT ) :: AERO_REAL_REFRACT( :, : ) ! real part of index [Dimensionaless]\n END SUBROUTINE AERO_REFRACT_INDEX\n SUBROUTINE SPECTRAL_REFLECT(MODIS_ALBEDO)\n USE BIN_DATA\n USE JPROC_PROFILE\n IMPLICIT NONE\n REAL, INTENT( OUT ) :: MODIS_ALBEDO( :, : )\n END SUBROUTINE SPECTRAL_REFLECT\n SUBROUTINE CONVERT_CASE ( BUFFER, UPPER )\n CHARACTER(LEN= *), INTENT( INOUT ) :: BUFFER\n LOGICAL, INTENT( IN ) :: UPPER\n END SUBROUTINE CONVERT_CASE\n END INTERFACE\n\n IF( FIRSTCALL )THEN\n\n FIRSTCALL = .FALSE.\n\n CALL INIT_BIN_DATA\n\n IF( CHANGE_WBIN )THEN\n\n\n ALLOCATE( FBIN( NB_NEW + 1 ) )\n ALLOCATE( ABIN( NB_NEW + 1 ) )\n ALLOCATE( CBIN( NB_NEW + 1 ) )\n ALLOCATE( DBIN( NB_NEW + 1 ) )\n ALLOCATE( EBIN( NB_NEW + 1 ) )\n\n ELSE\n \n ALLOCATE( FBIN( NBO ) )\n ALLOCATE( ABIN( NBO ) )\n ALLOCATE( CBIN( NBO ) )\n ALLOCATE( DBIN( NBO ) )\n ALLOCATE( EBIN( NBO ) )\n\n ENDIF\n\n\n ITTR = 0\n IF(N_TEMPERATURE .LT. 4)THEN\n TEMP_FINI = 298.0\n TEMP_STRT = 248.0\n ELSE\n TEMP_FINI = 310.0\n TEMP_STRT = 210.0\n ENDIF\n DELTA_TEMP = (TEMP_FINI-TEMP_STRT)/FLOAT(N_TEMPERATURE-1)\n \n WRITE(JTABLE_UNIT,'(A8,1X,I3)')'NTEMP = ', N_TEMPERATURE\n WRITE(JTABLE_UNIT,'(A)')'! I TEMP( I ) K'\n DO I = 1, N_TEMPERATURE ! 248, 298, 25\n ITTR = ITTR + 1\n TEMPERATURE(ITTR) = TEMP_STRT + DELTA_TEMP*FLOAT(I-1)\n WRITE(JTABLE_UNIT,'(I3,2X,F6.2)')ITTR, TEMPERATURE(ITTR)\n ENDDO\n TEMP_STRAT( 1 ) = 180.0\n ITTR = 1\n DO I = 2, N_TEMP_STRAT ! 248, 298, 25\n ITTR = ITTR + 1\n TEMP_STRAT(ITTR) = TEMP_STRAT( 1 ) + 40.0*FLOAT(I)\nC WRITE(JTABLE_UNIT,'(I3,2X,F6.2)')ITTR, TEMPERATURE(ITTR)\n ENDDO\n\n! TEMPERATURE = 298.0\n \n! READ(PHOTAB_UNIT,'(10X,I3,//)')NTEMP_REF \n! DO I = 1, NTEMP_REF \n! READ(PHOTAB_UNIT,'(5X,F6.2)')TEMP_REF( I )\n! ENDDO\n\n ALLOCATE( XCOUT(NSO), QYOUT(NSO))\n ALLOCATE( AABIN(NJO_NEW), CCBIN( NJO_NEW), DDBIN(NJO_NEW), \n % EEBIN(NJO_NEW), FFBIN(NJO_NEW))\n ALLOCATE( XCROSS(NZ, NJO_NEW), YIELD(NZ, NJO_NEW), XCROSS_EFF(NZ,NJO_NEW) ) \n ALLOCATE( WC_EXT( NJO_NEW ), WC_ASF( NJO_NEW ), WC_SSA( NJO_NEW ))\n ALLOCATE( AERO_IMAG_REFRACT( NJO_NEW, NAERO_REFRACT ) )\n ALLOCATE( AERO_REAL_REFRACT( NJO_NEW, NAERO_REFRACT ) )\n\n WRITE(JTABLE_UNIT,5001)\n WRITE(JTABLE_UNIT,5002)\n WRITE(JTABLE_UNIT,5003)\n WRITE(JTABLE_UNIT,5004)\n WRITE(JTABLE_UNIT,5005)\n WRITE(JTABLE_UNIT,5006)\n\n! determine whether to write out spectral values of refractive index for aerosol species\n\n CALL VALUE_NAME ( AERO_INDEX, WVL_AE_REFRAC)\n\n CALL CONVERT_CASE( WVL_AE_REFRAC, .TRUE.)\n\n IF( WVL_AE_REFRAC(1:1) .EQ. 'T' .OR. WVL_AE_REFRAC(1:1) .EQ. 'Y' )THEN\n WRITE_AE_REFRACT = .TRUE.\n WRITE(6,'(A)')'Environment Variable WVL_AE_REFRAC set to '\n & // TRIM( WVL_AE_REFRAC ) // ' and adding aerosol refractive indice to'\n & // ' output '\n ELSE IF( WVL_AE_REFRAC(1:1) .EQ. 'F' .OR. WVL_AE_REFRAC(1:1) .EQ. 'N' )THEN\n WRITE_AE_REFRACT = .FALSE.\n WRITE(6,'(A)')'Environment Variable WVL_AE_REFRAC set to '\n & // TRIM( WVL_AE_REFRAC ) // ' and not writing aerosol refractive indice to'\n & // ' output '\n ELSE\n WRITE(6,' (A)')'Environment Variable WVL_AE_REFRAC set to '\n & // TRIM( WVL_AE_REFRAC ) // ' and must equal T, Y, F, or N.'\n & // ' Using default value of F'\n WRITE_AE_REFRACT = .FALSE.\n END IF\n\n IF( WRITE_AE_REFRACT )WRITE(JTABLE_UNIT,5007)\n\n IF( WRITE_AE_REFRACT )THEN\n WRITE(JTABLE_UNIT,4999)'N_INLINE_BAND = ', N_INLINE_BAND\n WRITE(JTABLE_UNIT,4999)'NAERO_REFRACT = ', NAERO_REFRACT\n WRITE(JTABLE_UNIT,4998)'NAMES_REFRACT_INDX = ', \n & ( TRIM( AERO_REFRACT_INDX( I ) ), I = 1, NAERO_REFRACT )\n ELSE\n WRITE(JTABLE_UNIT,4997)'N_INLINE_BAND = ', N_INLINE_BAND\n END IF\n\n\n4997 FORMAT(A16, 1X, I3)\n4998 FORMAT(A20, 1X, 4(A, ', '), A)\n4999 FORMAT(2(A16, 1X, I3, ', '), A20, 1X, 4(A, ', '), A)\n\n IF( WRITE_AE_REFRACT )THEN\n WRITE(JTABLE_UNIT,5009)'! I','START_WL_BIN(nm)',\n & 'EFFECT_WL_BIN_(nm)', 'END_WL_BIN_(nm)','solar_photons_(cm-2*s-1)',\n & 'CLD_EXT/LWC_(m2/g)','CLD_ASYM_FACT','CLD_COALBEDO',\n & ( 'AE_' // TRIM( AERO_REFRACT_INDX( I ) ) // \"_REAL\", \n & 'AE_' // TRIM( AERO_REFRACT_INDX ( I ) ) // \"_IMAG\",\n & I = 1, NAERO_REFRACT )\n ELSE\n WRITE(JTABLE_UNIT,5009)'! I','START_WL_BIN(nm)',\n & 'EFFECT_WL_BIN_(nm)', 'END_WL_BIN_(nm)','solar_photons_(cm-2*s-1)',\n & 'CLD_EXT/LWC_(m2/g)','CLD_ASYM_FACT','CLD_COALBEDO'\n END IF\n\n CALL OPTICS_WATER_CLOUD(CLOUD_RADIUS_LIQUID, WC_EXT, WC_ASF, WC_SSA)\n\n! DO I = 1, N_INLINE_BAND ! 248, 298, 25\n! ITTR = NJO_NEW - N_INLINE_BAND + I \n! print*,ITTR, WC_EXT(ITTR), WC_ASF(ITTR), WC_SSA(ITTR)\n! ENDDO\n! pause\n\n AERO_IMAG_REFRACT = 0.0\n AERO_REAL_REFRACT = 0.0\n\n CAll AERO_REFRACT_INDEX ( NAERO_REFRACT, AERO_REFRACT_INDX, AERO_REAL_REFRACT,\n & AERO_IMAG_REFRACT )\n\n IF( WRITE_AE_REFRACT )THEN\n DO I = 1, N_INLINE_BAND ! 248, 298, 25\n ITTR = NJO_NEW - N_INLINE_BAND + I \n WRITE(JTABLE_UNIT,5008)I,\n & STWL_NEW(ITTR+2), EFFECTIVE_LAMBDA(ITTR), ENDWL_NEW(ITTR+2),\n & SOLAR_PHOTONS( ITTR ), WC_EXT(ITTR), WC_ASF(ITTR), WC_SSA(ITTR),\n & ( AERO_REAL_REFRACT( ITTR, J ), AERO_IMAG_REFRACT( ITTR, J ), \n & J = 1, NAERO_REFRACT )\n ENDDO\n ELSE\n DO I = 1, N_INLINE_BAND ! 248, 298, 25 \n ITTR = NJO_NEW - N_INLINE_BAND + I \n WRITE(JTABLE_UNIT,5008)I,\n & STWL_NEW(ITTR+2), EFFECTIVE_LAMBDA(ITTR), ENDWL_NEW(ITTR+2),\n & SOLAR_PHOTONS( ITTR ), WC_EXT(ITTR), WC_ASF(ITTR), WC_SSA(ITTR)\n ENDDO\n END IF\n\n\n! READ(PHOTAB_UNIT,'(17X,I3,2/)')NWL\n! DO I = 1, NWL\n! READ(PHOTAB_UNIT,'(4X,,3(5X,F8.3,5X))')\n! & STWL(I), WAVELENGTH(ITTR), ENDWL(I) \n! ENDDO\n\n! WRITE(JTABLE_UNIT,3011)\n!3011 FORMAT('!Solar Flux at top of atmosphere, photon/cm2/s'\n! DO I = 1, N_INLINE_BAND ! 248, 298, 25\n! ITTR = NJO_NEW - N_INLINE_BAND + I \n! WRITE(JTABLE_UNIT,'(I3,1X,3(5X,F8.3,5X))')I,\n! & SOLAR_PHOTONS(ITTR+2)\n! ENDDO\n\n write(JTABLE_UNIT,2007)\n write(JTABLE_UNIT,2009)\n write(JTABLE_UNIT,3010)\n\n WRITE(JTABLE_UNIT,'(A7,7X,A8,3X,A4,3X,40(A5,I3,A1,5X))')'!PHOTAB',\n & 'QUANTITY','TEMP',('WBIN(',J,')', J = 1, N_INLINE_BAND)\n\n! READ(PHOTAB_UNIT,'(3/)')\n\n\n DO J = 1, NZ\n XCROSS(J, 1:NJO_NEW) = 6.5E-19\n YIELD(J, 1:NJO_NEW) = 1.0\n ENDDO\n\n ALLOCATE( CS_PHOT( N_TEMPERATURE, N_INLINE_BAND, NPHOTAB) )\n ALLOCATE( QY_PHOT( N_TEMPERATURE, N_INLINE_BAND, NPHOTAB) )\n ALLOCATE( ECS_PHOT( N_TEMPERATURE, N_INLINE_BAND, NPHOTAB) )\n ALLOCATE( EQY_PHOT( N_TEMPERATURE, N_INLINE_BAND, NPHOTAB) )\n\n ALLOCATE( O3_CS_STRAT( N_TEMP_STRAT, N_INLINE_BAND) ) \n ALLOCATE( O3_QY_STRAT( N_TEMP_STRAT, N_INLINE_BAND) )\n ALLOCATE( O3_ECS_STRAT( N_TEMP_STRAT, N_INLINE_BAND) )\n ALLOCATE( O3_EQY_STRAT( N_TEMP_STRAT, N_INLINE_BAND) )\n\n!...Compute Stratospheric Ozone Cross-Sections\n\n CALL INIT_JPROC_DATA()\n\n LOOP_STRAT: DO ITTR = 1, N_TEMP_STRAT\n\n TEMP = TEMP_STRAT(ITTR)\n\n! AIR_TEMP = TEMP\n\n! REPLACE = .FALSE.\n DO J= 1, N_INLINE_BAND\n\n I = NJO_NEW - N_INLINE_BAND + J \n \n IF( TEMP_STRAT(ITTR) .LT. 293.0 .AND. TEMP_STRAT(ITTR) .GT. 218.0)THEN\n O3_CS_STRAT( ITTR, J) = (O3_XCROSS_293K(I)-O3_XCROSS_218K(I))\n & / 75.0\n & * (TEMP_STRAT(ITTR) - 218.0)\n & + O3_XCROSS_218K(I)\n ELSEIF( TEMP_STRAT(ITTR) .LE. 218.0)THEN\n O3_CS_STRAT( ITTR, J) = O3_XCROSS_218K(I)\n ELSEIF( TEMP_STRAT(ITTR) .GE. 293.0)THEN\n O3_CS_STRAT( ITTR, J) = O3_XCROSS_293K(I)\n END IF\n\n O3_QY_STRAT( ITTR, J) = OZONE_YIELD(WC(I),TEMP_STRAT(ITTR)) \n O3_EQY_STRAT( ITTR, J) = OZONE_YIELD(WC(I),TEMP_STRAT(ITTR))\n \n WRITE(6,99959)I,EFFECTIVE_LAMBDA(I),O3_CS_STRAT( ITTR, J),O3_QY_STRAT( ITTR, J)\n99959 FORMAT(\"O3_STRAT: \",I2,1X,\"LAMDBA: \",F7.2,1X,3(1PE12.4,1X)) \n! O3_CS_STRAT( ITTR, J) = 6.5E-19\n! O3_QY_STRAT( ITTR, J) = 1.0 \n! O3_ECS_STRAT( ITTR, J) = 6.5E-19\n! O3_EQY_STRAT( ITTR, J) = 1.0\n\n ENDDO\n\n!note assumes ozone dissociation cross-sections and yield do not depend on number density\n! on 08/02/13 this assumption is correct for the xc_yq_td_code.F code\n\n! CALL XC_QY_TD_EFFECT(EFFECTIVE_LAMBDA, NJO_NEW,\n! & AIR_TEMP,NUM_DENS,NZ,'O3O1D-06 ',\n! & XCROSS,YIELD,XCROSS_EFF,REPLACE)\n!\n\n! IF( REPLACE )THEN\n! print*,'using xcqy file for O3 Stratosphere'\n! DO J= 1, N_INLINE_BAND\n! O3_CS_STRAT( ITTR, J) = XCROSS(NZ, NJO_NEW - N_INLINE_BAND + J )\n! O3_QY_STRAT( ITTR, J) = YIELD(NZ, NJO_NEW - N_INLINE_BAND + J ) \n! O3_EQY_STRAT( ITTR, J) = YIELD(NZ, NJO_NEW - N_INLINE_BAND + J ) \n! ENDDO\n! ELSE\n! print*,'using xcqy file for O3 Stratosphere'\n! ENDIF\n\n ENDDO LOOP_STRAT\n\n\n ALLOCATE( MODIS_ALBEDO( NJO_NEW, NUMB_LANDUSE_MODIS ) )\n\n CALL SPECTRAL_REFLECT(MODIS_ALBEDO)\n\n\n print*,'completed firstcall in create module '\n\n END IF ! FIRSTCALL\n\n\n IRXN = -1\n\n DO I = 1, NPHOTAB\n IF( SPECTRA_NAME .EQ. PHOTAB(I) )THEN\n IRXN = I\n EXIT\n ENDIF\n ENDDO\n IF( IRXN .LE. 0 )THEN\n WRITE(6,*)'ERROR IN CREATE_MODULE: SPECTRA_NAME NOT in PHOTAB array '\n STOP\n ENDIF\n\n SAFE_NAME = SPECTRA_NAME\n J = LEN(SAFE_NAME)\n DO I = 1, LEN(SAFE_NAME)\n IF( SAFE_NAME(I:I) .EQ. '-' ) SAFE_NAME(I:I) = '_'\n ENDDO\n\n! IF( PHOT_PROCESS(IRXN) )THEN\n! NPHOT_DONE = NPHOT_DONE + 1\n! PHOT_DONE(NPHOT_DONE) = PHOTAB(IRXN)\n! ELSE\n! WRITE(6,*)TRIM(SPECTRA_NAME),' already processed by ',TRIM(PHOT_DONE(IRXN))\n! RETURN\n! ENDIF\n \n\n DO I = 1, NPHOT_DONE\n IF( SPECTRA_NAME .EQ. PHOT_DONE(I) )THEN\n WRITE(6,*)TRIM(SPECTRA_NAME),' already processed by ',TRIM(PHOT_DONE(I))\n RETURN\n ENDIF\n ENDDO\n NPHOT_DONE = NPHOT_DONE + 1\n PHOT_DONE(NPHOT_DONE) = PHOTAB(IRXN)\n\n\n CALL INTAVG_C(WLIN, CS_IN, NWLIN, SPECTRA_TYPE, NSO, WL, WU, XCOUT)\n CALL INTAVG_C(WLIN, QY_IN, NWLIN, SPECTRA_TYPE, NSO, WL, WU, QYOUT)\n\n\n\nC DO I = 1, NSO\nC IF(XCOUT(I).GT.0.0 .AND. AMOD(WL(I),2.0) .EQ. 0.0)THEN\nC WRITE(6,'(A16,2(1X,ES12.4))')SPECTRA_NAME,WL(I),XCOUT(I)\nC ENDIF\nC ENDDO\n\nC if(INDEX(SPECTRA_NAME,'O1D') .GT. 0)THEN\nC TEMP = 298.0\nC do j = 1, NSO\nC call X_HNO3(W(J), TEMP, XNEW, TITLNEW)\nC if( ABS(W(J)-325.0) .LE. 5.0 )THEN\nC WRITE(6,'(2(A,1x,f6.2,1x,es12.4))')\nC & 'XO3FASTJ ',WV_FASTJ(J),XO3_FASTJ(J),\nC & SPECTRA_NAME,W(J),XCOUT(J)\nC endif\nC XCOUT(J) = XO3_FASTJ(J)\nC ENDDO\nC pause\nC ENDIF\n \n\n! do ITTR = 240, 300, 30\n! TEMP = FLOAT(ITTR)\n\nc---now ready to do any flux-weighted means over the bins\n FBIN(:) = 0.d0\n ABIN(:) = 0.0d0 \n CBIN(:) = 0.0d0 \n DBIN(:) = 0.0d0 \n EBIN(:) = 0.0d0 \n\n\n do J=K1,K2\n K = J - K1 + 1\n\n! call X_NEW(W(J), TEMP, XNEW, TITLNEW)\n\n I = IBINJ_NEW(J)\n if (I .gt. 0) then\n WW = W(J)\n FBIN(I) = FBIN(I) + F(J)\n ABIN(I) = ABIN(I) + F(J)*DBLE(XCOUT(J))\n CBIN(I) = CBIN(I) + F(J)*DBLE(QYOUT(J))\n DBIN(I) = DBIN(I) + F(J)*DBLE(XCOUT(J))*DBLE(QYOUT(J))\n EBIN(I) = DBIN(I)\n! ABIN(I) = ABIN(I) + F(J)*XNEW\n endif\n enddo\n\n\n\n do I=1,NB_NEW\n if (ABIN(I) .gt. 0.d0)EBIN(I) = EBIN(I)/ABIN(I)\n if (FBIN(I) .gt. 0.d0) then\n ABIN(I) = ABIN(I)/FBIN(I)\n CBIN(I) = CBIN(I)/FBIN(I)\n DBIN(I) = DBIN(I)/FBIN(I)\n endif\n enddo\n\n print*,'completed first average in create module '\n\nc---write out UCI std 77-bin data\nc write(6,'(a10,f10.2,a)') ' Temp=',TT,' flx O3T O3D NO2 NO2x'\nc write(6,'(i5,0p,2f10.3,1p,6e10.3)') (I,WBIN(I),WBIN(I+1),FBIN(I)\nc & ,XBIN(I),QBIN(I),YBIN(I),ZBIN(I),ABIN(I),I=1,NB)\n\n\nc---combine fast-JX bins: \nc--- non-SR bands (16:NB) are assigned a single JX bin\nc--- SR bands are split (by Opacity Distrib Fn) into a range of JX bins\n FFBIN(:) = 0.d0\n AABIN(:) = 0.d0\n CCBIN(:) = 0.d0\n DDBIN(:) = 0.d0\n EEBIN(:) = 0.d0\n XCROSS(:,:) = 0.d0\n YIELD(:,:) = 0.d0\n XCROSS_EFF(:,:) = 0.d0\n\n\n\n FFBIN(:) = 0.d0\n do I=16,NB_NEW\n! J = IJX(I)\n! J = IJX_CALC(I)\n J = IJX_BIN_NEW( I )\n FFBIN(J) = FFBIN(J) + FBIN(I)\n AABIN(J) = AABIN(J) + FBIN(I)*ABIN(I)\n CCBIN(J) = CCBIN(J) + FBIN(I)*CBIN(I)\n DDBIN(J) = DDBIN(J) + FBIN(I)*DBIN(I)\n EEBIN(J) = EEBIN(J) + FBIN(I)*ABIN(I)*EBIN(I)\n enddo\n do I=1,15\n do J=1,NJO_NEW\n FFBIN(J) = FFBIN(J) + FBIN(I)*SRB_NEW(I,J)\n AABIN(J) = AABIN(J) + FBIN(I)*ABIN(I)*SRB_NEW(I,J)\n CCBIN(J) = CCBIN(J) + FBIN(I)*CBIN(I)*SRB_NEW(I,J)\n DDBIN(J) = DDBIN(J) + FBIN(I)*DBIN(I)*SRB_NEW(I,J)\n EEBIN(J) = EEBIN(J) + FBIN(I)*ABIN(I)*EBIN(I)*SRB_NEW(I,J)\n enddo\n enddo\n\n\n \n\n NWL_AVE = NJO_NEW\n WLL_AVE = 0.0\n WLU_AVE = 0.0\n CS_AVE = 0.0\n QY_AVE = 0.0\n\n\n\n do J = 1, 8\n! WLL_AVE( J ) = STR_WV_FASTJX( J )\n! WLU_AVE( J ) = END_WV_FASTJX( J )\n WLL_AVE( J ) = STWL_NEW( J )\n WLU_AVE( J ) = ENDWL_NEW( J )\n enddo \n\n\n\n do J = 9, NJO_NEW\n! WLL_AVE( J ) = STR_WV_FASTJX( J + 2 )\n! WLU_AVE( J ) = END_WV_FASTJX( J + 2 )\n WLL_AVE( J ) = STWL_NEW( J + 2 )\n WLU_AVE( J ) = ENDWL_NEW( J + 2)\n enddo \n\n\n do J=1,NJO_NEW\n if (AABIN(J) .gt. 0.d0) EEBIN(J) = EEBIN(J)/AABIN(J)\n if (FFBIN(J) .gt. 0.d0)THEN\n AABIN(J) = AABIN(J)/FFBIN(J)\n CCBIN(J) = CCBIN(J)/FFBIN(J)\n DDBIN(J) = DDBIN(J)/FFBIN(J)\n CS_AVE( J ) = AABIN(J)\n QY_AVE( J ) = CCBIN(J)\n endif\n enddo\n\n print*,'completed second average in create module '\n\n\n\n LOOP_TROP: DO ITTR = 1, N_TEMPERATURE\n\n TEMP = TEMPERATURE(ITTR)\n\n! IF( TEMP .GT. 298.0)THEN\n! TEMP = 298.0\n! END IF\n \n AIR_TEMP = TEMP\n\n REPLACE = .FALSE.\n\n DO J = 1, NZ ! note that NZ is 1 \n XCROSS(J, 1:NJO_NEW) = CS_AVE(1:NJO_NEW)\n YIELD(J, 1:NJO_NEW) = EEBIN(1:NJO_NEW)\n ENDDO\n\n DO J= 1, N_INLINE_BAND\n CS_PHOT( ITTR, J, IRXN) = CS_AVE( NJO_NEW - N_INLINE_BAND + J )\n QY_PHOT( ITTR, J, IRXN) = QY_AVE( NJO_NEW - N_INLINE_BAND + J ) \n ECS_PHOT( ITTR, J, IRXN) = DDBIN( NJO_NEW - N_INLINE_BAND + J )\n EQY_PHOT( ITTR, J, IRXN) = EEBIN( NJO_NEW - N_INLINE_BAND + J )\n! YIELD(NZ, NJO_NEW - N_INLINE_BAND + J) = EQY_PHOT( ITTR, J, IRXN)\n ENDDO\n\n\n print*,'calling XC_QY_TD_EFFECT for ',SPECTRA_NAME\n\n CALL XC_QY_TD_EFFECT(EFFECTIVE_LAMBDA, NJO_NEW,\n & AIR_TEMP,NUM_DENS,NZ,SPECTRA_NAME,\n & XCROSS,YIELD,XCROSS_EFF,REPLACE)\nC\n\n IF( REPLACE )THEN\n print*,'called XC_QY_TD_EFFECT for ',SPECTRA_NAME\n DO J= 1, N_INLINE_BAND\n CS_PHOT( ITTR, J, IRXN) = XCROSS(NZ, NJO_NEW - N_INLINE_BAND + J )\n QY_PHOT( ITTR, J, IRXN) = YIELD(NZ, NJO_NEW - N_INLINE_BAND + J ) \n EQY_PHOT( ITTR, J, IRXN) = YIELD(NZ, NJO_NEW - N_INLINE_BAND + J ) \n ENDDO\n ELSE\n print*,'using xcqy file for ',SPECTRA_NAME\n ENDIF\n\nc---write out UCI fast-JX data bins\n! if (ITTR .eq. 180) then\n! write(6,'(a6,i4,1p,6e10.3/10x,6e10.3/10x,6e10.3)')\n! & 'solflx',ITTR, FFBIN\n! write(6,*) '==========fast-JX 18-bin cross-sections============='\n! endif\n\n! write(6,'(a16,i4,1p,6e10.3/20x,6e10.3/20x,6e10.3)')\n! & TRIM(SAFE_NAME), INT(TEMP), AABIN\n\n\n ENDDO LOOP_TROP\n\n TEMP = 298.0\n write(6,'(A16,1X,A5,1X,F8.3,1X,40(1PE12.6,2X))')\n & TRIM(SAFE_NAME), 'CS0', TEMP, \n & (AABIN(NJO_NEW - N_INLINE_BAND + J),J= 1, N_INLINE_BAND)\n\n write(MODULE_UNIT,2003) \n2003 format(1x)\n write(MODULE_UNIT,2005)\n2005 format('C... reference temperatures (K)')\n write(MODULE_UNIT,2003) \n\n write(MODULE_UNIT,2001) trim(SAFE_NAME), N_TEMPERATURE, TEMPERATURE(1:N_TEMPERATURE)\n2001 format(6x,'DATA ( TEMP_REF( ITTR, I',A,' ), ITTR = 1,', I3, ' ) / ',f5.1,', ',f5.1,', ',f5.1, ' /' )\n write(MODULE_UNIT,2003) \n write(MODULE_UNIT,2007)\n\n! call WRBF12D_HEADERB (MODULE_UNIT,5,N_TEMPERATURE,TEMPERATURE,'NTEMP_REF',\n! & 'TEMP_REF','F')\n\n! pause\n\n2007 format('!... CS = absorption cross sections averaged over UCI Solar Flux')\n write(MODULE_UNIT,2003) \n\n\n do i = 1, N_TEMPERATURE\n\n write(JTABLE_UNIT,'(A16,1X,A5,1X,F8.3,1X,40(1PE12.6,2X))')SPECTRA_NAME,\n & 'CS',TEMPERATURE(I),(CS_PHOT( I, J, IRXN), J = 1, N_INLINE_BAND)\n write(6,'(A16,1X,A5,1X,F8.3,1X,40(1PE12.6,2X))')SPECTRA_NAME,\n & 'CS',TEMPERATURE(I),(CS_PHOT( I, J, IRXN), J = 1, N_INLINE_BAND)\n write(JTABLE_UNIT,'(A16,1X,A5,1X,F8.3,1X,40(1PE12.6,2X))')SPECTRA_NAME,\n & 'EQY',TEMPERATURE(I),(EQY_PHOT( I, J, IRXN), J = 1, N_INLINE_BAND)\n\n! DO IRXN = 1, NPHOT_MAP\n! DO I = 1, NTEMP_REF\n! READ(PHOTAB_UNIT,'(32X,40(1PE12.6,2X)')(CS_PHOT( I, J, IRXN), J = 1, NWL)\n! READ(PHOTAB_UNIT,'(32X,40(1PE12.6,2X)')(EQY_PHOT( I, J, IRXN), J = 1, NWL)\n! ENDDO\n! ENDDO\n\n write(MODULE_UNIT,2011) trim(SAFE_NAME), I, N_INLINE_BAND\n2011 format(6x,'DATA ( CS_REF( I', A,', ' I3, ', IWLR ), IWLR = 1, ', I3 , ' ) /')\n! write(MODULE_UNIT,2013)(CS_PHOT( I, J, IRXN), J = 1, 4)\n! write(MODULE_UNIT,2015)(CS_PHOT( I, J, IRXN), J = 5, 7)\n\n DO K = 1, 4*INT(N_INLINE_BAND/4), 4\n write( MODULE_UNIT,2013)(CS_PHOT( I, J, IRXN), J = (K-1)+1, (K-1)+4)\n ENDDO\n K = 4*INT(N_INLINE_BAND/4)\n IF( K .GT. 0 )THEN\n write(MODULE_UNIT,2015)(CS_PHOT( I, J, IRXN), J = K+1, N_INLINE_BAND)\n ENDIF\n2013 format(5x, '& ', 1pE12.6,', ', 1pE12.6, ', ',1pE12.6, ', ', 1pE12.6, ', ')\n2015 format(' & ', 1pE12.6, ', ', 1pE12.6, ', ', 1pE12.6, ' /')\n end do\n\n write(MODULE_UNIT,2003) \n write(MODULE_UNIT,2009)\n2009 format('!... QY = quantum yields averaged over UCI Solar Flux')\n write(MODULE_UNIT,2003) \n\n do i = 1, N_TEMPERATURE\n write(MODULE_UNIT,2017) trim(SAFE_NAME), I, N_INLINE_BAND\n2017 format(6x,'DATA ( QY_REF( I', A,', ' I3, ', IWLR ), IWLR = 1, ', I3 , ' ) /')\n! write(MODULE_UNIT,2013)(QY_PHOT( I, J, IRXN), J = 1, 4)\n! write(MODULE_UNIT,2015)(QY_PHOT( I, J, IRXN), J = 5, 7)\n\n DO K = 1, 4*INT(N_INLINE_BAND/4), 4\n write(MODULE_UNIT,2013)(QY_PHOT( I, J, IRXN), J = (K-1)+1, (K-1)+4)\n ENDDO\n K = 4*INT(N_INLINE_BAND/4)\n IF( K .GT. 0 )THEN\n write(MODULE_UNIT,2015)(QY_PHOT( I, J, IRXN), J = K+1, N_INLINE_BAND)\n ENDIF\n end do\n\n write(MODULE_UNIT,2003) \n write(MODULE_UNIT,3009)\n3009 format('!... ECS = CS*QY averaged over UCI Solar Flux')\n write(MODULE_UNIT,2003) \n\n do i = 1, N_TEMPERATURE\n write(MODULE_UNIT,3017) trim(SAFE_NAME), I, N_INLINE_BAND\n3017 format(6x,'DATA ( ECS_REF( I', A,', ' I3, ', IWLR ), IWLR = 1, ', I3 , ' ) /')\n! write(MODULE_UNIT,2013)(ECS_PHOT( I, J, IRXN), J = 1, 4)\n! write(MODULE_UNIT,2015)(ECS_PHOT( I, J, IRXN), J = 5, 7)\n\n DO K = 1, 4*INT(N_INLINE_BAND/4), 4\n write(MODULE_UNIT,2013)(ECS_PHOT( I, J, IRXN), J = (K-1)+1, (K-1)+4)\n ENDDO\n K = 4*INT(N_INLINE_BAND/4)\n IF( K .GT. 0 )THEN\n write(MODULE_UNIT,2015)(ECS_PHOT( I, J, IRXN), J = K+1, N_INLINE_BAND)\n ENDIF\n end do\n\n write(MODULE_UNIT,2003) \n write(MODULE_UNIT,3010)\n3010 format('!... EQY = eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model')\n write(MODULE_UNIT,2003) \n\n do i = 1, N_TEMPERATURE\n write(MODULE_UNIT, 3018) trim(SAFE_NAME), I, N_INLINE_BAND\n3018 format(6x,'DATA ( EQY_REF( I', A,', ' I3, ', IWLR ), IWLR = 1, ',I3, ' ) /')\n DO K = 1, 4*INT(N_INLINE_BAND/4), 4\n! write(MODULE_UNIT,2013)(EQY_PHOT( I, J, IRXN), J = (K-1)+1, (K-1)+4)\n write(MODULE_UNIT,2013)(EQY_PHOT( I, J, IRXN), J = (K-1)+1, (K-1)+4)\n ENDDO\n K = 4*INT(N_INLINE_BAND/4)\n IF( K .GT. 0 )THEN\n! write(6, 2015)(EQY_PHOT( I, J, IRXN), J = K+1, N_INLINE_BAND)\n write(MODULE_UNIT,2015)(EQY_PHOT( I, J, IRXN), J = K+1, N_INLINE_BAND)\n ENDIF\n end do\n\n \n\n IF( SPECTRA_NAME .EQ. PHOTAB(NPHOTAB) )THEN\n\n! write out the ozone cross-section for stratospheric temperatures\n\n WRITE(JTABLE_UNIT,5010)\n WRITE(JTABLE_UNIT,'(A14,1X,I3)')'NTEMP_STRAT = ', N_TEMP_STRAT\n WRITE(JTABLE_UNIT,'(A7,7X,A8,3X,A4,3X,40(A5,I3,A1,5X))')'! ',\n & 'QUANTITY','TEMP',('WBIN(',J,')', J = 1, N_INLINE_BAND)\n DO I = 1, N_TEMP_STRAT\n WRITE(JTABLE_UNIT,'(A16,1X,A5,1X,F8.3,1X,40(1PE12.6,2X))')'O3_STRAT ',\n & 'CS',TEMP_STRAT(I),(O3_CS_STRAT( I, J), J = 1, N_INLINE_BAND)\n ENDDO\n\n! write out the suface albedo data for each landuse\n\n WRITE(JTABLE_UNIT,5011)\n WRITE(JTABLE_UNIT,5013)'NUMB_LANDUSE_MODIS = ', NUMB_LANDUSE_MODIS\n WRITE(JTABLE_UNIT,5014)\n WRITE(JTABLE_UNIT,5013)'INDEX_GRASSLAND = ', INDEX_GRASSLAND\n WRITE(JTABLE_UNIT,5013)'INDEX_OCEAN_WATER = ', INDEX_OCEAN_WATER\n WRITE(JTABLE_UNIT,5013)'INDEX_SEA_ICE = ', INDEX_SEA_ICE\n WRITE(JTABLE_UNIT,5009)'! I','LANDUSE_CATEGORY',\n & 'ZENITH_ANGLE_COEFF', 'SEASONAL_COEFF','SNOW_COVER_COEEF'\n DO I = 1, NUMB_LANDUSE_MODIS\n WRITE(JTABLE_UNIT,5012)I, LANDUSE( I ), \n & ZENITH_COEFF( I ), SEASON_COEFF( I ), SNOW_COEFF( I )\n ENDDO\n WRITE(JTABLE_UNIT,'(A7,7X,A16,2X,40(A5,I3,A1,5X))')'! ',\n & 'LANDUSE CATEGORY',('WBIN(',J,')', J = 1, N_INLINE_BAND)\n DO I = 1, NUMB_LANDUSE_MODIS\n WRITE(JTABLE_UNIT,'(A30,1X,40(1PE12.6,2X))')\n & TRIM(LANDUSE(I)),(MODIS_ALBEDO( NJO_NEW - N_INLINE_BAND + J, I), J = 1, N_INLINE_BAND)\n ENDDO\n\n WRITE(JTABLE_UNIT,5015)\n\n WRITE(JTABLE_UNIT,5013)'NUMB_NLCD_MODIS = ', NUMB_NLCD_MODIS\n WRITE(JTABLE_UNIT,5009)'! I','LANDUSE_NLCD-MODIS','INDEX_ALBREF',\n & 'FAC_ALBREF'\n DO I = 1, NUMB_NLCD_MODIS\n WRITE(JTABLE_UNIT,5016)I, NLCD_LANDUSE( I ), \n & INT(ALBMAP_REF2NLCD( I )), ALBFAC_REF2NLCD( I )\n ENDDO\n\n WRITE(JTABLE_UNIT,5013)'NUMB_USGS = ', NUMB_USGS\n WRITE(JTABLE_UNIT,5009)'! I','LANDUSE_USGS','INDEX_ALBREF',\n & 'FAC_ALBREF'\n DO I = 1, NUMB_USGS\n WRITE(JTABLE_UNIT,5016)I, USGS_LANDUSE( I ), \n & INT(ALBMAP_REF2USGS( I )), ALBFAC_REF2USGS( I )\n ENDDO\n\n WRITE(JTABLE_UNIT,5013)'NUMB_MODIS_NOAH = ', NUMB_MODIS_NOAH\n WRITE(JTABLE_UNIT,5009)'! I','LANDUSE_MODIS-NOAH','INDEX_ALBREF',\n & 'FAC_ALBREF'\n DO I = 1, NUMB_MODIS_NOAH\n WRITE(JTABLE_UNIT,5016)I, MODIS_LANDUSE( I ), \n & INT(ALBMAP_REF2MODIS( I )), ALBFAC_REF2MODIS( I )\n ENDDO\n\n\n WRITE(JTABLE_UNIT,5013)'NUMB_NLCD40_MODIS = ', NUMB_NLCD40_MODIS\n WRITE(JTABLE_UNIT,5009)'! I','LANDUSE_NLCD40-MODIS','INDEX_ALBREF',\n & 'FAC_ALBREF'\n DO I = 1, NUMB_NLCD40_MODIS\n WRITE(JTABLE_UNIT,5016)I, NLCD40_LANDUSE( I ), \n & INT(ALBMAP_REF2NLCD40( I )), ALBFAC_REF2NLCD40( I )\n ENDDO\n\n\n ENDIF\n\n write(MODULE_UNIT,2003)\n write(MODULE_UNIT,2003)\n\n IF(IRXN .GE. NPHOTAB)THEN\n WRITE(MODULE_UNIT,'(6X,A)')'END MODULE CSQY_DATA'\n ENDIF\n\n\n1001 FORMAT(A16,22X,F5.1,2X,F5.1)\n1003 FORMAT(61X,F9.1)\n5001 FORMAT('! Cloud properties and aerosol refractive indices are weighted bin averages.')\n5002 FORMAT('! The former is based on HU & Stamnes (1993), An accurate parameterization of')\n5003 FORMAT('! the radiative properties of water clouds suitable for use in climate models,')\n5004 FORMAT('! J. of Climate, vol. 6, pp. 728-742. The values were calculated with an')\n5005 FORMAT('! equivalent radius of 10 micrometers. ')\n5006 FORMAT('! Note: Cloud extinction/LWC is in [1/m] over [g/m **3] where LWC is in g/m**3',\n & /, '! ')\n5007 FORMAT('! Complex refractive indices for aerosol components are based on ',\n & /,'! 1) Hess, M. P. Koepke, and I. Schult, Optical properties of aerosols and',\n & /,'! clouds: The software package OPAC, Bulletin of the American Meteorological', \n & /,'! Society, Vol 79, No 5, pp 831 - 844, May 1998. Available at',\n & /,'! www.lrz-muenchen.de/~uh234an/www/radaer/opac.htm',\n & /,'! 2) Segelstein, D., 1981: The Complex Refractive Index of Water, M.S. Thesis,',\n & /,'! University of Missouri--Kansas City, MO' )\n!5008 FORMAT(I3,1X,3(F8.3,2X),2X,ES12.4,2X,2(F8.3,2X),ES12.4,2X,8(F8.3,1X,ES12.4,1X))\n5008 FORMAT(I3,', ',3(F8.3,', '),ES12.4,', ',2(F8.3,', '),ES12.4,5(', ',F8.3,', ',ES12.4))\n!5009 FORMAT(A3, 20(', ',A))\n5009 FORMAT(A3,', ',3(A,', '),A,', ',2(A,', '),A,5(', ',A,', ',A))\n5010 FORMAT('! Ozone Cross-Section for Stratospheric Opacity based on Table 4-5 in',\n & /,'! Chemical Kinetics and Photochemical Data for Use in Atmospheric',\n & /,'! Studies Evaluation Number 15. Sander et. al: NASA-JPL 2006 ')\n5011 FORMAT('! Surface Albedo with wavelength dependence for 20 MODIS land use types.',\n & /,'! Correction factors are included for solar zenith angle and season.',\n & /,'! Note that an adjustment is used better match spectral estimates.',\n & /,'! REFERENCE: CERES/SARB Surface Properties database, May 2006',\n & /,'! http://www-surf.larc.nasa.gov/surf/pages/explan.html.')\n5012 FORMAT(I3,1X,A30,1X,3(F8.3,2X))\n5013 FORMAT(A21,1X,I3)\n5014 FORMAT('! Following two indices denote the categories assigned as generic',\n & /,'! land and water surfaces. The surfaces are used as the default',\n & /,'! land characterization scheme if scheme used is not known.')\n5015 FORMAT('! Following maps the above albedo data to three land characterization',\n & /,'! schemes commonly used in CMAQ applications.',\n & /,'! ')\n5016 FORMAT(I3,1X,A60,1X,I3,2X,3(F8.3,2X))\n\n print*, ' returning for effective average ',SPECTRA_NAME\n RETURN\n END\nc>>>>>>>>>>>>>>>>>>>>>>>added Xsection<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<\n subroutine X_HNO3 (WW, TT, XNEW, TITLNEW)\nc---JPL-2006 Xsects for HNO3 Table 4-25: \nc--- X(T) = 1e-20*X * exp[1e-3*B*(T-298)]\nc--- wavelengths: 192 - 350 nm by 2 nm\n\n implicit none\n real, intent(in) :: WW, TT\n real, intent(out):: XNEW\n character*6, intent(out):: TITLNEW\n\n integer IWW\n real*8 FWW,WWI,XX,BB\n\n character*6, parameter:: JNEW = 'HNO3 '\n\n real*4, parameter, dimension(80) :: X =\n & [1225.,1095.,940.,770.,588.,447.,328.,231.,156.,104.,67.5,43.9,\n & 29.2,20.,14.9,11.8,9.61,8.02,6.82,5.75,4.87,4.14,3.36,2.93,2.58,\n & 2.34,2.16,2.06,2.,1.97,1.96,1.95,1.95,1.93,1.91,1.87,1.83,1.77,\n & 1.7,1.62,1.53,1.44,1.33,1.23,1.12,1.01,0.909,0.807,0.709,0.615,\n & 0.532,0.453,0.381,0.316,0.263,0.208,0.167,0.133,0.105,0.0814,\n & 0.0628,0.0468,0.0362,0.0271,0.0197,0.0154,0.0108,0.0082,0.00613,\n & 0.00431,0.00319,0.00243,0.00196,0.00142,0.00103,0.00086,0.00069,\n & 0.0005,0.00042,0.00042]\n\n real*8, parameter, dimension(80) :: B =\n & [0.,0.,1.7,1.65,1.66,1.69,1.74,1.77,1.85,1.97,2.08,2.17,2.17,\n & 2.21,2.15,2.06,1.96,1.84,1.78,1.8,1.86,1.9,1.97,1.97,1.97,1.88,\n & 1.75,1.61,1.44,1.34,1.23,1.18,1.14,1.12,1.14,1.14,1.18,1.22,1.25,\n & 1.45,1.49,1.56,1.64,1.69,1.78,1.87,1.94,2.04,2.15,2.27,2.38,2.52,\n & 2.7,2.92,3.1,3.24,3.52,3.77,3.91,4.23,4.7,5.15,5.25,5.74,6.45,\n & 6.7,7.16,7.55,8.16,9.75,9.93,9.6,10.5,10.8,11.8,11.8,9.3,12.1,\n & 11.9,9.3]\n\n TITLNEW = JNEW\n \n WWI = 0.5d0*(DBLE(WW) - 190.d0)\n IWW = WWI\n IWW = max( 1, min( 79, IWW))\n FWW = WWI - float(IWW)\n FWW = max( 0.d0, min( 1.d0, FWW))\n\n XNEW = 0.d0\n if (DBLE(WW) .le. 350.d0) then\n XX = X(IWW) + (X(IWW+1)-X(IWW))*FWW\n BB = B(IWW) + (B(IWW+1)-B(IWW))*FWW\n XNEW = REAL(1.d-20* XX * exp(1.d-3*BB * (DBLE(TT) - 298.d0)))\n endif\n\n return\n end\n\n" }, { "path": "UTIL/inline_phot_preproc/src/driver.f", "content": " PROGRAM DRIVER\n \n USE GET_ENV_VARS\n \n USE CSQY_PARAMETERS\n USE CSQY_REFER_DATA\n\n IMPLICIT NONE\n\n CHARACTER( 5 ) :: SPLIT_OUTPUT\n CHARACTER( 13 ) :: TYPE_OUTPUTS = 'SPLIT_OUTPUT'\n\n INTEGER :: STATUS\n INTEGER :: SYSTEM\n\n INTERFACE\n SUBROUTINE CONVERT_CASE ( BUFFER, UPPER )\n CHARACTER(LEN= *), INTENT( INOUT ) :: BUFFER\n LOGICAL, INTENT( IN ) :: UPPER\n END SUBROUTINE CONVERT_CASE\n END INTERFACE\n\n!Bin 01 177.5-202.5 nm\n!Bin 02 177.5-202.5 nm \n!Bin 03 177.5-202.5 nm \n!Bin 04 177.5-202.5 nm \n!Bin 05 202.5-206.5 nm\n!Bin 06 206.5-209.5 nm\n!Bin 07 209.5-212.5 nm\n!Bin 08 212.5-215.5 nm\n!Bin 09 233.0-275.5 nm\n!Bin 10 275.5-286.5 nm\n!Bin 11 286.5-291.0 nm\n!Bin 12 291.0-298.3 nm\n!Bin 13 298.3-307.5 nm\n!Bin 14 307.5-312.5 nm\n!Bin 15 312.5-320.3 nm\n!Bin 16 320.3-345.0 nm\n!Bin 17 345.0-412.5 nm\n!Bin 18 412.5-850.0 nm\n\n CALL VALUE_NAME ( TYPE_OUTPUTS, SPLIT_OUTPUT)\n\n CALL CONVERT_CASE( SPLIT_OUTPUT, .TRUE.)\n\n IF( SPLIT_OUTPUT(1:1) .EQ. 'T' .OR. SPLIT_OUTPUT(1:1) .EQ. 'Y' )THEN\n SPLIT_OUTPUTS = .TRUE.\n WRITE(6,'(A)')'Environment Variable SPLIT_OUTPUT set to '\n & // TRIM( SPLIT_OUTPUT ) // '. CSQY and Optics Data in two'\n & // ' separate files'\n ELSE IF( SPLIT_OUTPUT(1:1) .EQ. 'F' .OR. SPLIT_OUTPUT(1:1) .EQ. 'N' )THEN\n SPLIT_OUTPUTS = .FALSE.\n WRITE(6,'(A)')'Environment Variable SPLIT_OUTPUT set to '\n & // TRIM( SPLIT_OUTPUT ) // '. CSQY and Optics Data in one file'\n ELSE\n WRITE(6,' (A)')'Environment Variable SPLIT_OUTPUT set to '\n & // TRIM( SPLIT_OUTPUT ) // ' and must equal T, Y, F, or N.'\n & // ' Using default value of T'\n SPLIT_OUTPUTS = .TRUE.\n END IF\n\n \n CALL PROCESS_CSQYS ( )\n\n IF(SPLIT_OUTPUTS)CALL WRT_OPTICS_DATA( )\n \n CLOSE( JTABLE_UNIT )\n \n WRITE(6, *)'NORMAL_STOP'\n STATUS = 0\n CALL EXIT(STATUS)\n STOP\n END \n\n" }, { "path": "UTIL/inline_phot_preproc/src/effective_ave.F", "content": " SUBROUTINE CREATE_MODULE( WLIN, CS_IN, QY_IN, NWLIN, SPECTRA_NAME, SPECTRA_TYPE,\n & WLL_AVE, WLU_AVE, CS_AVE, QY_AVE, NWL_AVE )\n\n USE JPROC_PROFILE\n\n IMPLICIT NONE \n \n! INCLUDE 'JVALPARMS.EXT' ! jproc parameters\n\n\nC...........ARGUMENTS and their descriptions\n\n CHARACTER( 1) SPECTRA_TYPE ! spectra type\n CHARACTER(16) SPECTRA_NAME ! spectra name or PHOTAB label\n\n INTEGER NWL_AVE ! number of intervals average \n INTEGER NWLIN ! number of intervals CQin\n\n REAL WLIN ( MXWLIN ) ! wl for CQin\n REAL CS_IN( MXWLIN ) ! cross-section as f(WLIN)\n REAL QY_IN( MXWLIN ) ! quantum yield as f(WLIN)\n REAL WLL_AVE( MXWL ) ! lower limit on wl effective interval\n REAL WLU_AVE( MXWL ) ! upper limit on wl effective interval\n REAL CS_AVE( MXWL ) ! cross-section as f(WL_AVE)\n REAL QY_AVE( MXWL ) ! quantum yield as f(WL_AVE)\n\nC...........LOCAL VARIABLES and their descriptions:\n \n CHARACTER(16) :: PNAME = 'CREATE_MODULE' ! program name\n CHARACTER(80) :: MSG = ' ' ! message\n\nC...........PARAMETERS and their descriptions\n\n INTEGER, PARAMETER :: XSTAT2 = 2 ! Program ERROR exit status\n integer, parameter :: NBO = 100\n integer, parameter :: NSO = 40000\n integer, parameter :: NZO = 13550\n integer, parameter :: NJO = 18 \n\n INTEGER, SAVE :: NB, J1, J2, K1, K2 ! array limits and markers\n INTEGER :: I, J, K ! index counters\n\n REAL WLIN1( NSO ) ! lower limit on wl int CQin\n REAL WLIN2( NSO ) ! upper limit on wl int CQin\n\n REAL(8), SAVE :: SRB(15,NJO)\n REAL(8), SAVE :: WBIN(NBO + 1 )\n REAL(8) :: FBIN(NBO)\n REAL(8) :: FFBIN(NJO)\n REAL(8) :: ABIN(NBO)\n REAL(8) :: AABIN(NJO)\n REAL(8) :: CBIN(NBO)\n REAL(8) :: CCBIN(NJO)\n REAL(8) :: TEMP ! temperature, K\n REAL(8) :: WW \n\n\n REAL(8), PARAMETER :: TINY = 0.06\n\n INTEGER, SAVE :: IJX(NBO)\n INTEGER :: ITT\n INTEGER, SAVE :: IJX_CALC(NBO)\n INTEGER :: ITT_CALC\n\n REAL(8), SAVE :: W(NSO),F(NSO)\n REAL :: XCOUT(NSO), QYOUT(NSO)\n REAL, SAVE :: WL(NSO), WU(NSO), WC(NSO)\n INTEGER, SAVE :: IBINJ(NSO)\n REAL(8) :: XNEW\n\n CHARACTER(8) :: TITLNEW\n\n! FASTJX has 18 bins but the wavelength interval of the bins can overlap\n\n REAL, SAVE :: STR_WV_FASTJX( NJO + 2 ) ! nm, starting wavelength of FASTJ intervals\n DATA STR_WV_FASTJX \n & / 177.5, 177.5, 177.5, 177.5, 202.5, 206.5, 209.5, \n & 212.5, 215.5, 221.5, 233.0, 275.5, 286.5, 291.0,\n & 298.3, 307.5, 312.5, 320.3, 345.0, 412.5 /\n\n REAL, SAVE :: END_WV_FASTJX( NJO + 2 ) ! nm, ending wavelength of FASTJ intervals\n DATA END_WV_FASTJX \n & / 202.5, 202.5, 202.5, 202.5, 206.5, 209.5, 212.5, \n & 215.5, 221.5, 233.0, 275.5, 286.5, 291.0, 298.3, \n & 307.5, 312.5, 320.3, 345.0, 412.5, 850.0 /\n\n INTEGER, SAVE :: FASTJX_BIN( NJO + 2 ) ! FASTJX bin number for the intervals\n DATA FASTJX_BIN \n & / 1, 2, 3, 4, 5, 6, 7,\n & 8, 11, 10, 9, 10, 11, 12,\n & 13, 14, 15, 16, 17, 18 /\n! Effective Center wavelengths for 18 bins of FASTJX, not mean bin edges\n!w-eff (nm) 187. 191. 193. 196. 202. 208.\n! 211. 214. 261. 267. 277. 295.\n! 303. 310. 316. 333. 380. 574.\n\n REAL, SAVE :: EFF_WV_FASTJX( NJO ) ! nm \n DATA EFF_WV_FASTJX \n & / 187.0, 191.0, 193.0, 196.0, 202.0, 208.0,\n & 211.0, 214.0, 261.0, 267.0, 277.0, 295.0,\n & 303.0, 310.0, 316.0, 333.0, 380.0, 574.0 /\n\n \n integer, parameter :: nwv_regress = 27\n\n REAL, SAVE :: ENDWL_REGRESS( nwv_regress ) ! wavelength band upper limit\n REAL, SAVE :: MIDWL_REGRESS( nwv_regress ) ! wavelength midpoints\n REAL, SAVE :: STWL_REGRESS( nwv_regress ) ! wavelength band lower limit\n\n REAL, ALLOCATABLE, SAVE :: ENDWL_NEW( : ) ! wavelength band upper limit\n REAL, ALLOCATABLE, SAVE :: MIDWL_NEW( : ) ! wavelength midpoints\n REAL, ALLOCATABLE, SAVE :: STWL_NEW( : ) ! wavelength band lower limit\n INTEGER, SAVE :: NWV_NEW ! number of new bins\n\n INTEGER :: STRT, FINI\n\n INTEGER, SAVE :: MODULE_UNIT = 75\n\n LOGICAL, SAVE :: FIRSTCALL = .TRUE.\n\n REAL, SAVE :: TEMPERATURE(3)\n\n INTEGER :: IRXN\n\n CHARACTER(16), SAVE :: PHOT_DONE( NPHOTAB )\n INTEGER, SAVE :: NPHOT_DONE\n LOGICAL, SAVE :: PHOT_PROCESS( NPHOTAB )\n\n IF( FIRSTCALL )THEN\n\n FIRSTCALL = .FALSE.\n\n PHOT_PROCESS = .TRUE.\n \n open (1, file='wavel-bins.dat', status='OLD')\n\n SRB = 0.d0\n read(1,'(i5)') NB\n\n if (NB .gt. NBO)THEN\n PRINT*,'NB exceeds ',NBO,' in file wavel-bins.dat '\n stop\n ENDIF\n\n read(1,'(5x,f8.3)') (WBIN(I), I=1,NB+1)\n read(1,*)\n read(1,*)\n read(1,'(2x,15f5.1)') ((SRB(I,J),I=1,15),J=1,8)\n read(1,*)\n read(1,'(5x,i5)') (IJX(I),I=16,NB)\n close (1)\n\n write(6,'(2x,15f5.1)') ((SRB(I,J),I=1,15),J=1,8)\n\n open (2, file='solar-p05nm-UCI.dat', status='OLD')\n read(2,*)\n read(2,*)\n read(2,'(f10.4,e10.3)') (W(J),F(J), J=1,NSO)\n close (2)\n\n\n! initialize the regress wavelength bins\n STWL_REGRESS(1) = 287.5\n MIDWL_REGRESS(1) = 290.0\n ENDWL_REGRESS(1) = 292.5\n\n do i = 2, 23\n STWL_REGRESS(i) = STWL_REGRESS(i-1) + 5.0\n MIDWL_REGRESS(i) = MIDWL_REGRESS(i-1) + 5.0\n ENDWL_REGRESS(i) = ENDWL_REGRESS(i-1) + 5.0\n enddo\n\n STWL_REGRESS(24) = ENDWL_REGRESS(23)\n MIDWL_REGRESS(24) = 450.0\n ENDWL_REGRESS(24) = 500.0\n do i = 25, nwv_regress\n STWL_REGRESS(i) = ENDWL_REGRESS(i-1)\n MIDWL_REGRESS(i) = MIDWL_REGRESS(i-1) + 100.0\n ENDWL_REGRESS(i) = ENDWL_REGRESS(i-1) + 100.0\n enddo\n\n do i = 1, nwv_regress\n WRITE(6,'(i3,2(2x,f6.2))')i,STWL_REGRESS(i),ENDWL_REGRESS(i)\n enddo\n\n\n\n! find where regress bins start and stop in FASTJX bins\n\n if( STR_WV_FASTJX( 1 ) .gt. STWL_REGRESS(1) )THEN\n print*,'ERROR 1 in finding starting point '\n stop\n endif\n\n if( END_WV_FASTJX( NJO + 2 ) .lt. STWL_REGRESS(1) )THEN\n print*,'ERROR 2 in finding starting point '\n stop\n endif\n \n LOOP_START: do J = 1, NJO + 2\n if( STR_WV_FASTJX( J ) .ge. STWL_REGRESS(1) )THEN\n STRT = J - 1\n EXIT LOOP_START\n ENDIF\n if( J .eq. (NJO + 2) )THEN\n print*,'ERROR 3 in finding starting point '\n stop\n endif\n ENDDO LOOP_START\n\n\n FINI = NJO + 2\n LOOP_STOP: do K = 1, NJO + 2\n if( END_WV_FASTJX( J ) .gt. ENDWL_REGRESS(nwv_regress) )THEN\n FINI = K \n EXIT LOOP_STOP\n ENDIF\n ENDDO LOOP_STOP\n\n\n IF( FINI .EQ. ( NJO + 2 ) )THEN\n\n IF(INT(END_WV_FASTJX(FINI))\n & .NE.INT(ENDWL_REGRESS(nwv_regress)))THEN\n print*,'Resetting ENDWL_REGRESS(last) to END_WV_FASTJX(last) '\n print*,' INT(END_WV_FASTJX(FINI)) = ',INT(END_WV_FASTJX(FINI))\n print*,' INT(ENDWL_REGRESS(nwv_regress)) = ',\n & INT(ENDWL_REGRESS(nwv_regress))\n ENDWL_REGRESS(nwv_regress) = END_WV_FASTJX(FINI)\n ENDIF\n \n ENDIF\n \n NWV_NEW = STRT + nwv_regress + ( NJO + 2 - FINI )\n \n ALLOCATE( STWL_NEW ( NWV_NEW ) ) \n ALLOCATE( MIDWL_NEW ( NWV_NEW ) ) \n ALLOCATE( ENDWL_NEW ( NWV_NEW ) ) \n\n IF( FINI .EQ. ( NJO + 2 ) )THEN \n \n STWL_NEW( 1:STRT ) = STR_WV_FASTJX( 1:STRT )\n STWL_NEW( (STRT+1):NWV_NEW ) = STWL_REGRESS( 1:nwv_regress )\n\n ENDWL_NEW( 1:(STRT-1) ) = END_WV_FASTJX( 1:(STRT-1) )\n ENDWL_NEW( STRT ) = STWL_REGRESS( 1 )\n ENDWL_NEW( (STRT+1):NWV_NEW ) = ENDWL_REGRESS( 1:nwv_regress )\n\n ELSE\n\n J = STRT + nwv_regress\n STWL_NEW( 1:STRT ) = STR_WV_FASTJX( 1:STRT )\n STWL_NEW( (STRT+1): J ) = STWL_REGRESS( 1:nwv_regress )\n STWL_NEW( J + 1 ) = ENDWL_REGRESS( nwv_regress )\n STWL_NEW( (J+2):NWV_NEW ) = STR_WV_FASTJX( FINI:(NBO + 2 ) )\n\n \n ENDWL_NEW( 1:(STRT-1) ) = END_WV_FASTJX( 1:(STRT-1) )\n ENDWL_NEW( STRT ) = STWL_REGRESS( 1 )\n ENDWL_NEW( (STRT+1):J ) = ENDWL_REGRESS( 1:nwv_regress )\n ENDWL_NEW( J+1:NWV_NEW ) = END_WV_FASTJX( FINI:(NBO + 2) )\n\n ENDIF\n\n do i = 1, NWV_NEW\n WRITE(6,'(i3,2(2x,f6.2))')i,STWL_NEW(i),ENDWL_NEW(i)\n enddo\n\n\n DO I = 1, NSO\n WC( I ) = REAL(W( I ))\n WL( I ) = WC( I ) - 0.05\n WU( I ) = WC( I ) + 0.05\n ENDDO\n \n K1 = 1\n K2 = NSO\n \nc---now assign bin #(I=1:77) to each p05nm microbin J (1:40000)\n\n IBINJ = 0\n do I=1,NB\n do J=1,NSO\n if (W(J) .gt. WBIN(I)) goto 11\n enddo\n J = NSO + 1\n11 J1 = J\n do J=J1,NSO\n if (W(J) .gt. WBIN(I+1)) goto 12\n enddo\n J = NSO + 1\n12 J2 = J-1\n do J=J1,J2\n IBINJ(J) = I\n enddo\n enddo\n\n IJX_CALC = 0\n \n DO I = 16, NB\n DO J = 1, NJO + 2\n IF(WBIN(I)+TINY .GE. STR_WV_FASTJX(J) \n & .AND. WBIN(I)-TINY .LT. END_WV_FASTJX(J))THEN\n IJX_CALC( I ) = FASTJX_BIN ( J )\n ENDIF\n ENDDO\n print*,I,' IJX_CALC(I) - IJX(I) = ', IJX_CALC(I) - IJX(I)\n ENDDO\n WRITE(6,'(i5,2x,i5,2x,F6.2,2x,F6.2)') \n & (I,IJX_CALC(I),WBIN(I),WBIN(I+1),I=16,NB)\n\n\n OPEN(MODULE_UNIT, FILE = 'INLINE_CSQY.DAT', STATUS = 'UNKNOWN')\n\n ITT = 0\n DO I = 240, 300, 30\n ITT = ITT + 1\n TEMPERATURE(ITT) = FLOAT(I)\n ENDDO\n\n PHOT_DONE = ' '\n NPHOT_DONE = 0\n DO J = 1, NPHOTAB\n DO I = 1, NPHOT_DONE\n IF( PHOTAB(J) .EQ. PHOT_DONE(I) )THEN\n WRITE(6,*)TRIM(PHOTAB(J)),' already treated by ',TRIM(PHOT_DONE(I))\n PHOT_PROCESS( J ) = .FALSE.\n ENDIF\n ENDDO\n NPHOT_DONE = NPHOT_DONE + 1\n PHOT_DONE(NPHOT_DONE) = PHOTAB(J)\n ENDDO\n\n\n WRITE(MODULE_UNIT,'(6X,A)')'MODULE CSQY_DATA'\n write(MODULE_UNIT,2003) \n\n WRITE(MODULE_UNIT,'(6X,A)')'IMPLICIT NONE'\n write(MODULE_UNIT,2003) \n\n WRITE(MODULE_UNIT,'(A)')'C.....PARAMETERS and their descriptions:'\n write(MODULE_UNIT,2003) \n\n\n WRITE(MODULE_UNIT,1996)NPHOT_DONE\n1996 format(6X,'INTEGER, PARAMETER :: NPHOT_REF = ',I3,' ! # ref phot reactions ')\n write(MODULE_UNIT,2003)\n\n WRITE(MODULE_UNIT,1997)N_TEMPERATURE\n1997 format(6X,'INTEGER, PARAMETER :: NTEMP = ',I3,' ! # ref temperatures ')\n write(MODULE_UNIT,2003)\n\n WRITE(MODULE_UNIT,1998)N_INLINE_BAND\n1998 format(6X,'INTEGER, PARAMETER :: NWL_REF = ',I3,' ! # ref wavelengths ')\n write(MODULE_UNIT,2003)\n\n WRITE(MODULE_UNIT,'(A)')'C...Names of the mapped photolysis reactions (available to chemical)'\n WRITE(MODULE_UNIT,'(A)')'C... mechanisms) and their pointers to the reference photolysis rxn'\n write(MODULE_UNIT,2003)\n write(MODULE_UNIT,2003)\n\n DO I = 1, NPHOT_DONE\n\n write(MODULE_UNIT,1999) PHOT_DONE(I), I, PHOT_DONE(I)\n1999 FORMAT(6X,'INTEGER, PARAMETER :: I',A16, ' = ', I3, ' ! pointer to ', A16)\n\n ENDDO\n\n write(MODULE_UNIT,2003)\n\n DO I = 1, NPHOT_DONE\n\n write(MODULE_UNIT,2000) PHOT_DONE(I), PHOT_DONE(I)\n2000 FORMAT(6X,'DATA PNAME_REF( I',A16, ' ) / ''', A16, ''' /')\n\n ENDDO\n\n write(MODULE_UNIT,2003)\n\n WRITE(MODULE_UNIT,'(A)')'C...Setup the Mapping from CMAQ chemical reactions to the reference data'\n write(MODULE_UNIT,2003) \n\n WRITE(MODULE_UNIT,2024)NPHOT_DONE\n2024 format(6X,'INTEGER, PARAMETER :: NPHOT_MAP = ',I3,' ! # phot mapped reactions ')\n write(MODULE_UNIT,2003)\n\n WRITE(MODULE_UNIT,2025)\n2025 format(6X,'CHARACTER(16), SAVE :: PNAME_MAP( NPHOT_MAP )')\n WRITE(MODULE_UNIT,2026)\n2026 format(6X,'CHARACTER(16), SAVE :: PHOT_MAP( NPHOT_MAP )')\n write(MODULE_UNIT,2003)\n\n DO I = 1, NPHOT_DONE\n\n write(MODULE_UNIT,2010) I, I, PHOT_DONE(I), PHOT_DONE(I)\n2010 FORMAT(6X,'DATA PNAME_MAP( ', I3, ' ), ', ' PHOT_MAP( ', I3, ' ) / ''',\n & A16, ''', I', A16, ' / ')\n\n ENDDO\n\n write(MODULE_UNIT,2021) \n2021 format(6X,'REAL, SAVE :: TEMP_REF( NTEMP_REF, NPHOT_REF ) ! temperatures')\n write(MODULE_UNIT,2021) \n2022 format(6X,'REAL, SAVE :: CS_REF( NPHOT_REF, NTEMP_REF, NWL_REF ) ! cross sections')\n write(MODULE_UNIT,2021) \n2023 format(6X,'REAL, SAVE :: QY_REF( NPHOT_REF, NTEMP_REF, NWL_REF ) ! quantum yields')\n\n write(MODULE_UNIT,2003)\n write(MODULE_UNIT,2003)\n write(MODULE_UNIT,'(6X,A)')'INTEGER :: IWLR ! wavelength loop variable'\n write(MODULE_UNIT,'(6X,A)')'INTEGER :: ITT ! temperature loop variable'\n\n PHOT_DONE = ' '\n NPHOT_DONE = 0\n \n\n ENDIF ! FIRSTCALL\n\n\n IRXN = -1\n\n DO I = 1, NPHOTAB\n IF( SPECTRA_NAME .EQ. PHOTAB(I) )THEN\n IRXN = I\n EXIT\n ENDIF\n ENDDO\n IF( IRXN .LE. 0 )THEN\n WRITE(6,*)'ERROR IN CREATE_MODULE: SPECTRA_NAME NOT in PHOTAB array '\n STOP\n ENDIF\n\n DO I = 1, NPHOT_DONE\n IF( SPECTRA_NAME .EQ. PHOT_DONE(I) )THEN\n WRITE(6,*)TRIM(SPECTRA_NAME),' already processed by ',TRIM(PHOT_DONE(I))\n RETURN\n ENDIF\n ENDDO\n NPHOT_DONE = NPHOT_DONE + 1\n PHOT_DONE(NPHOT_DONE) = SPECTRA_NAME\n\n\n CALL INTAVG(WLIN, CS_IN, NWLIN, SPECTRA_TYPE, WL, WU, XCOUT, NSO)\n CALL INTAVG(WLIN, QY_IN, NWLIN, SPECTRA_TYPE, WL, WU, QYOUT, NSO)\n\n DO I = 1, NSO\n IF(XCOUT(I).GT.0.0 .AND. AMOD(WL(I),2.0) .EQ. 0.0)THEN\n! WRITE(6,'(A16,2(1X,ES12.4))')SPECTRA_NAME,WL(I),XOUT(I)\n ENDIF\n ENDDO\n\n do ITT = 1, 3\n TEMP = TEMPERATURE(ITT)\n! do ITT = 240, 300, 30\n! TEMP = FLOAT(ITT)\n\nc---now ready to do any flux-weighted means over the bins\n FBIN(:) = 0.d0\n ABIN(:) = 0.0d0 \n CBIN(:) = 0.0d0 \n\n do J=K1,K2\n K = J - K1 + 1\n\n call X_NEW(W(J), TEMP, XNEW, TITLNEW)\n\n\n I = IBINJ(J)\n if (I .gt. 0) then\n WW = W(J)\n FBIN(I) = FBIN(I) + F(J)\n ABIN(I) = ABIN(I) + F(J)*DBLE(XCOUT(J))\n CBIN(I) = CBIN(I) + F(J)*DBLE(QYOUT(J))\n! ABIN(I) = ABIN(I) + F(J)*XNEW\n endif\n enddo\n\n\n\n do I=1,NB\n if (FBIN(I) .gt. 0.d0) then\n ABIN(I) = ABIN(I)/FBIN(I)\n CBIN(I) = CBIN(I)/FBIN(I)\n endif\n enddo\n\nc---write out UCI std 77-bin data\nc write(6,'(a10,f10.2,a)') ' Temp=',TT,' flx O3T O3D NO2 NO2x'\nc write(6,'(i5,0p,2f10.3,1p,6e10.3)') (I,WBIN(I),WBIN(I+1),FBIN(I)\nc & ,XBIN(I),QBIN(I),YBIN(I),ZBIN(I),ABIN(I),I=1,NB)\n\n\nc---combine fast-JX bins: \nc--- non-SR bands (16:NB) are assigned a single JX bin\nc--- SR bands are split (by Opacity Distrib Fn) into a range of JX bins\n FFBIN(:) = 0.d0\n AABIN(:) = 0.d0\n CCBIN(:) = 0.d0\n\n\n\n FFBIN(:) = 0.d0\n do I=16,NB\n! J = IJX(I)\n J = IJX_CALC(I)\n FFBIN(J) = FFBIN(J) + FBIN(I)\n AABIN(J) = AABIN(J) + FBIN(I)*ABIN(I)\n CCBIN(J) = CCBIN(J) + FBIN(I)*CBIN(I)\n enddo\n do I=1,15\n do J=1,NJO\n FFBIN(J) = FFBIN(J) + FBIN(I)*SRB(I,J)\n AABIN(J) = AABIN(J) + FBIN(I)*ABIN(I)*SRB(I,J)\n CCBIN(J) = CCBIN(J) + FBIN(I)*CBIN(I)*SRB(I,J)\n enddo\n enddo\n\n\n \n\n NWL_AVE = NJO\n WLL_AVE = 0.0\n WLU_AVE = 0.0\n CS_AVE = 0.0\n QY_AVE = 0.0\n\n\n\n do J = 1, 8\n WLL_AVE( J ) = STR_WV_FASTJX( J )\n WLU_AVE( J ) = END_WV_FASTJX( J )\n enddo \n\n\n\n do J = 9, NJO\n WLL_AVE( J ) = STR_WV_FASTJX( J + 2 )\n WLU_AVE( J ) = END_WV_FASTJX( J + 2 )\n enddo \n\n\n do J=1,NJO\n if (FFBIN(J) .gt. 0.d0)THEN\n AABIN(J) = AABIN(J)/FFBIN(J)\n CCBIN(J) = CCBIN(J)/FFBIN(J)\n CS_AVE( J ) = AABIN(J)\n QY_AVE( J ) = CCBIN(J)\n endif\n enddo\n\n do J= 1, 7\n CS_PHOT( ITT, J, IRXN) = CS_AVE( NJO - 7 + J )\n QY_PHOT( ITT, J, IRXN) = QY_AVE( NJO - 7 + J ) \n enddo\n\nc---write out UCI fast-JX data bins\n! if (ITT .eq. 180) then\n! write(6,'(a6,i4,1p,6e10.3/10x,6e10.3/10x,6e10.3)')\n! & 'solflx',ITT, FFBIN\n! write(6,*) '==========fast-JX 18-bin cross-sections============='\n! endif\n\n write(6,'(a16,i4,1p,6e10.3/20x,6e10.3/20x,6e10.3)')\n & TRIM(SPECTRA_NAME), INT(TEMP), AABIN\n\n enddo\n\n\n write(MODULE_UNIT,2003) \n2003 format(1x)\n write(MODULE_UNIT,2005)\n2005 format(1x,'C... reference temperatures (K)')\n write(MODULE_UNIT,2003) \n\n write(MODULE_UNIT,2001) trim(PHOTAB(IRXN)), TEMPERATURE(1:3)\n2001 format(6x,'DATA ( TEMP_REF( ITT, I',A,' ), ITT=1,3 ) / ',f5.1,', ',f5.1,', ',f5.1, ' /' )\n write(MODULE_UNIT,2003) \n write(MODULE_UNIT,2007)\n\n2007 format(1x,'C... absorption cross sections')\n write(MODULE_UNIT,2003) \n\n do i = 1, 3\n write(MODULE_UNIT,2011) trim(SPECTRA_NAME)\n2011 format(6x,'DATA ( CS_REF( I', A,', 1, IWLR ), IWLR = 1, 7 ) /')\n write(MODULE_UNIT,2013)(CS_PHOT( I, J, IRXN), J = 1, 4)\n2013 format(5x, '& ', 1pE12.6,', ', 1pE12.6, ', ',1pE12.6, ', ', 1pE12.6, ', ')\n write(MODULE_UNIT,2013)(CS_PHOT( I, J, IRXN), J = 5, 7)\n2015 format(' & ', 1pE12.6, ', ', 1pE12.6, ', ', 1pE12.6, ' /')\n end do\n\n write(MODULE_UNIT,2003) \n write(MODULE_UNIT,2009)\n2009 format(1x,'C... quantum yields')\n write(MODULE_UNIT,2003) \n\n do i = 1, 3\n write(MODULE_UNIT,2017) trim(SPECTRA_NAME)\n2017 format(6x,'DATA ( QY_REF( I', A,', 1, IWLR ), IWLR = 1, 7 ) /')\n write(MODULE_UNIT,2013)(QY_PHOT( I, J, IRXN), J = 1, 4)\n write(MODULE_UNIT,2013)(QY_PHOT( I, J, IRXN), J = 5, 7)\n end do\n\n IF(IRXN .GE. NPHOTAB)THEN\n write(MODULE_UNIT,2003)\n write(MODULE_UNIT,2003)\n WRITE(MODULE_UNIT,'(6X,A)')'END MODULE CSQY_DATA'\n ENDIF\n\n1001 format(A16,22X,F5.1,2X,F5.1)\n1003 format(61x,f9.1)\n\n\n print*, ' returning for effective average ',SPECTRA_NAME\n RETURN\n END\n" }, { "path": "UTIL/inline_phot_preproc/src/init_lu.f90", "content": "\r\n!***********************************************************************\r\n! Portions of Models-3/CMAQ software were developed or based on *\r\n! information from various groups: Federal Government employees, *\r\n! contractors working on a United States Government contract, and *\r\n! non-Federal sources (including research institutions). These *\r\n! research institutions have given the Government permission to *\r\n! use, prepare derivative works, and distribute copies of their *\r\n! work in Models-3/CMAQ to the public and to permit others to do *\r\n! so. EPA therefore grants similar permissions for use of the *\r\n! Models-3/CMAQ software, but users are requested to provide copies *\r\n! of derivative works to the Government without restrictions as to *\r\n! use by others. Users are responsible for acquiring their own *\r\n! copies of commercial software associated with Models-3/CMAQ and *\r\n! for complying with vendor requirements. Software copyrights by *\r\n! the MCNC Environmental Modeling Center are used with their *\r\n! permissions subject to the above restrictions. *\r\n!***********************************************************************\r\n\r\n! RCS file, release, date & time of last delta, author, state, [and locker]\r\n! $Header: /project/work/rep/MCIP2/src/mcip2/init_lu.F\r\n\r\n\r\nSUBROUTINE init_lu\r\n\r\n!-------------------------------------------------------------------------------\r\n! Name: Initialize Land Use Classification Arrays\r\n! Purpose: Initializes land use classification arrays.\r\n! Notes: Land use classifications are based off systems used in MM5 and WRF.\r\n! Revised: 25 Aug 2009 Original version. (T. Otte)\r\n!-------------------------------------------------------------------------------\r\n\r\n USE luvars\r\n\r\n IMPLICIT NONE\r\n\r\n!-------------------------------------------------------------------------------\r\n! Initialize \"Old\" MM5 13-category classification.\r\n!-------------------------------------------------------------------------------\r\n\r\n lucatold( 1) = \"Urban Land\"\r\n lucatold( 2) = \"Agriculture\"\r\n lucatold( 3) = \"Range-Grassland\"\r\n lucatold( 4) = \"Deciduous Forest\"\r\n lucatold( 5) = \"Coniferous Forest\"\r\n lucatold( 6) = \"Mixed Forest and Wetland\"\r\n lucatold( 7) = \"Water\"\r\n lucatold( 8) = \"Marsh or Wetland\"\r\n lucatold( 9) = \"Desert\"\r\n lucatold(10) = \"Tundra\"\r\n lucatold(11) = \"Permanent Ice\"\r\n lucatold(12) = \"Tropical or Subtropical Forest\"\r\n lucatold(13) = \"Savannah\"\r\n\r\n!-------------------------------------------------------------------------------\r\n! Initialize USGS 24-category classification.\r\n!-------------------------------------------------------------------------------\r\n\r\n lucatusgs24( 1) = \"Urban Land\"\r\n lucatusgs24( 2) = \"Dryland Cropland and Pasture\"\r\n lucatusgs24( 3) = \"Irrigated Cropland and Pasture\"\r\n lucatusgs24( 4) = \"Mixed Dryland and Irrigated Cropland and Pasture\"\r\n lucatusgs24( 5) = \"Cropland-Grassland Mosaic\"\r\n lucatusgs24( 6) = \"Cropland-Woodland Mosaic\"\r\n lucatusgs24( 7) = \"Grassland\"\r\n lucatusgs24( 8) = \"Shrubland\"\r\n lucatusgs24( 9) = \"Mixed Shrubland-Grassland\"\r\n lucatusgs24(10) = \"Savannah\"\r\n lucatusgs24(11) = \"Deciduous Broadleaf Forest\"\r\n lucatusgs24(12) = \"Deciduous Needleleaf Forest\"\r\n lucatusgs24(13) = \"Evergreen Broadleaf Forest\"\r\n lucatusgs24(14) = \"Evergreen Needleleaf Forest\"\r\n lucatusgs24(15) = \"Mixed Forest\"\r\n lucatusgs24(16) = \"Water\"\r\n lucatusgs24(17) = \"Herbaceous Wetland\"\r\n lucatusgs24(18) = \"Wooded Wetland\"\r\n lucatusgs24(19) = \"Barren or Sparsely Vegetated\"\r\n lucatusgs24(20) = \"Herbaceous Tundra\"\r\n lucatusgs24(21) = \"Wooded Tundra\"\r\n lucatusgs24(22) = \"Mixed Tundra\"\r\n lucatusgs24(23) = \"Bare Ground Tundra\"\r\n lucatusgs24(24) = \"Snow or Ice\"\r\n\r\n!-------------------------------------------------------------------------------\r\n! Initialize SiB 16-category classification.\r\n!-------------------------------------------------------------------------------\r\n\r\n lucatsib( 1) = \"Evergreen Broadleaf Trees\"\r\n lucatsib( 2) = \"Broadleaf Deciduous Trees\"\r\n lucatsib( 3) = \"Deciduous and Evergreen Trees\"\r\n lucatsib( 4) = \"Evergreen Needleleaf Trees\"\r\n lucatsib( 5) = \"Deciduous Needleleaf Trees\"\r\n lucatsib( 6) = \"Ground Cover with Trees and Shrubs\"\r\n lucatsib( 7) = \"Ground Cover Only\"\r\n lucatsib( 8) = \"Broadleaf Shrubs with Perennial Ground Cover\"\r\n lucatsib( 9) = \"Broadleaf Shrubs with Bare Soil\"\r\n lucatsib(10) = \"Ground Cover with Dwarf Trees and Shrubs\"\r\n lucatsib(11) = \"Bare Soil\"\r\n lucatsib(12) = \"Agriculture or C3 Grassland\"\r\n lucatsib(13) = \"Persistent Wetland\"\r\n lucatsib(14) = \"Dry Coastal Complexes\"\r\n lucatsib(15) = \"Water\"\r\n lucatsib(16) = \"Ice Cap and Glacier\"\r\n\r\n!-------------------------------------------------------------------------------\r\n! Initialize USGS 33-category classification.\r\n!-------------------------------------------------------------------------------\r\n\r\n lucatusgs33(1:24) = lucatusgs24(1:24)\r\n lucatusgs33(25) = \"Playa\"\r\n lucatusgs33(26) = \"Lava\"\r\n lucatusgs33(27) = \"White Sand\"\r\n lucatusgs33(28) = \"~~~unassigned~~~\"\r\n lucatusgs33(29) = \"~~~unassigned~~~\"\r\n lucatusgs33(30) = \"~~~unassigned~~~\"\r\n lucatusgs33(31) = \"Low Intensity Residential\"\r\n lucatusgs33(32) = \"High Intensity Residential\"\r\n lucatusgs33(33) = \"Industrial or Commercial\"\r\n\r\n!-------------------------------------------------------------------------------\r\n! Initialize Modified IGBP MODIS NOAH 33-category classification.\r\n!-------------------------------------------------------------------------------\r\n\r\n lucatmod( 1) = \"Evergreen Needleleaf Forest\"\r\n lucatmod( 2) = \"Evergreen Broadleaf Forest\"\r\n lucatmod( 3) = \"Deciduous Needleleaf Forest\"\r\n lucatmod( 4) = \"Deciduous Broadleaf Forest\"\r\n lucatmod( 5) = \"Mixed Forests\"\r\n lucatmod( 6) = \"Closed Shrublands\"\r\n lucatmod( 7) = \"Open Shrublands\"\r\n lucatmod( 8) = \"Woody Savannas\"\r\n lucatmod( 9) = \"Savannas\"\r\n lucatmod(10) = \"Grasslands\"\r\n lucatmod(11) = \"Permanent Wetlands\"\r\n lucatmod(12) = \"Croplands\"\r\n lucatmod(13) = \"Urban and Built-Up\"\r\n lucatmod(14) = \"Cropland-Natural Vegetation Mosaic\"\r\n lucatmod(15) = \"Snow and Ice\"\r\n lucatmod(16) = \"Barren or Sparsely Vegetated\"\r\n lucatmod(17) = \"Water\"\r\n lucatmod(18) = \"Wooded Tundra\"\r\n lucatmod(19) = \"Mixed Tundra\"\r\n lucatmod(20) = \"Barren Tundra\"\r\n lucatmod(21) = \"~~~unassigned~~~\"\r\n lucatmod(22) = \"~~~unassigned~~~\"\r\n lucatmod(23) = \"~~~unassigned~~~\"\r\n lucatmod(24) = \"~~~unassigned~~~\"\r\n lucatmod(25) = \"~~~unassigned~~~\"\r\n lucatmod(26) = \"~~~unassigned~~~\"\r\n lucatmod(27) = \"~~~unassigned~~~\"\r\n lucatmod(28) = \"~~~unassigned~~~\"\r\n lucatmod(29) = \"~~~unassigned~~~\"\r\n lucatmod(30) = \"~~~unassigned~~~\"\r\n lucatmod(31) = \"Low Intensity Residential\"\r\n lucatmod(32) = \"High Intensity Residential\"\r\n lucatmod(33) = \"Industrial or Commercial\"\r\n\r\n!-------------------------------------------------------------------------------\r\n! Initialize NLCD-MODIS 50-category classification.\r\n!-------------------------------------------------------------------------------\r\n\r\n lucatnlcd( 1) = \"Open Water\"\r\n lucatnlcd( 2) = \"Perennial Ice-Snow\"\r\n lucatnlcd( 3) = \"Developed Open Space\"\r\n lucatnlcd( 4) = \"Developed Low Intensity\"\r\n lucatnlcd( 5) = \"Developed Medium Intensity\"\r\n lucatnlcd( 6) = \"Developed High Intensity\"\r\n lucatnlcd( 7) = \"Barren Land (Rock-Sand-Clay)\"\r\n lucatnlcd( 8) = \"Unconsolidated Shore\"\r\n lucatnlcd( 9) = \"Deciduous Forest\"\r\n lucatnlcd(10) = \"Evergreen Forest\"\r\n lucatnlcd(11) = \"Mixed Forest\"\r\n lucatnlcd(12) = \"Dwarf Scrub\"\r\n lucatnlcd(13) = \"Shrub-Scrub\"\r\n lucatnlcd(14) = \"Grassland-Herbaceous\"\r\n lucatnlcd(15) = \"Sedge-Herbaceous\"\r\n lucatnlcd(16) = \"Lichens\"\r\n lucatnlcd(17) = \"Moss\"\r\n lucatnlcd(18) = \"Tundra\"\r\n lucatnlcd(19) = \"Pasture-Hay\"\r\n lucatnlcd(20) = \"Cultivated Crops\"\r\n lucatnlcd(21) = \"Woody Wetlands\"\r\n lucatnlcd(22) = \"Palustrine Forested Wetland\"\r\n lucatnlcd(23) = \"Palustrine Scrub-Shrub Wetland\"\r\n lucatnlcd(24) = \"Estuarine Forested Wetland\"\r\n lucatnlcd(25) = \"Estuarine Scrub-Shrub Wetland\"\r\n lucatnlcd(26) = \"Emergent Herbaceous Wetlands\"\r\n lucatnlcd(27) = \"Palustrine Emergent Wetland\"\r\n lucatnlcd(28) = \"Estuarine Emergent Wetland\"\r\n lucatnlcd(29) = \"Palustrine Aquatic Bed\"\r\n lucatnlcd(30) = \"Estuarine Aquatic Bed\"\r\n lucatnlcd(31) = \"Water\"\r\n lucatnlcd(32) = \"Evergreen Needleleaf Forest\"\r\n lucatnlcd(33) = \"Evergreen Broadleaf Forest\"\r\n lucatnlcd(34) = \"Deciduous Needleleaf Forest\"\r\n lucatnlcd(35) = \"Deciduous Broadleaf Forest\"\r\n lucatnlcd(36) = \"Mixed Forests\"\r\n lucatnlcd(37) = \"Closed Shrublands\"\r\n lucatnlcd(38) = \"Open Shrublands\"\r\n lucatnlcd(39) = \"Woody Savannas\"\r\n lucatnlcd(40) = \"Savannas\"\r\n lucatnlcd(41) = \"Grasslands\"\r\n lucatnlcd(42) = \"Permanent Wetlands\"\r\n lucatnlcd(43) = \"Croplands\"\r\n lucatnlcd(44) = \"Urban and Built Up\"\r\n lucatnlcd(45) = \"Cropland-Natural Vegetation Mosaic\"\r\n lucatnlcd(46) = \"Permanent Snow and Ice\"\r\n lucatnlcd(47) = \"Barren or Sparsely Vegetated\"\r\n lucatnlcd(48) = \"IGBP Water\"\r\n lucatnlcd(49) = \"unclassified\"\r\n lucatnlcd(50) = \"fill value\"\r\n\r\nEND SUBROUTINE init_lu\r\n" }, { "path": "UTIL/inline_phot_preproc/src/inline_phot_preproc.makefile", "content": "\nifndef EXEC\n MODEL = CSQY_TABLE_PROCESSOR.EXE\nelse\n MODEL = $(EXEC)\nendif\n\nifndef compiler\n compiler = gcc # other options (intel | pgi )\nendif\n \nifeq ($(compiler),intel)\n\nFC = ifort\nCC = icc\nF_FLAGS = -fixed -132 -fp-model source -fpe0 -O0 -check uninit -warn nounused -check bounds -check format -g -traceback -fno-alias -mp1 -I . -g\nf_FLAGS = -fixed -132 -fp-model source -fpe0 -O0 -check uninit -warn nounused -check bounds -check format -g -traceback -fno-alias -mp1 -I . -g\nF90_FLAGS = -free -fp-model source -fpe0 -O0 -check uninit -warn nounused -check bounds -check format -g -traceback -fno-alias -mp1 -I . -g\nf90_FLAGS = -free -fp-model source -fpe0 -O0 -check uninit -warn nounused -check bounds -check format -g -traceback -fno-alias -mp1 -I . -g\n\nC_FLAGS = -O2 -DFLDMN=1\nLINK_FLAGS = \n\nelse ifeq ($(compiler),pgi)\n\n FC = pgf90\n CC = pgcc\n F_FLAGS = -Mfixed -Mextend -Mbounds -O0 -traceback -Mchkptr -Mchkstk -traceback -Ktrap=fp -I . -g\n f_FLAGS = -Mfixed -Mextend -Mbounds -O0 -traceback -Mchkptr -Mchkstk -traceback -Ktrap=fp -I . -g\n f90_FLAGS = -Mfree -Mextend -Mbounds -O0 -traceback -Mchkptr -Mchkstk -traceback -Ktrap=fp -I . -g\n F90_FLAGS = -Mfree -Mextend -Mbounds -O0 -traceback -Mchkptr -Mchkstk -traceback -Ktrap=fp -I . -g\n C_FLAGS = -O2 -DFLDMN=1\n LINK_FLAGS =\n#LINK_FLAGS = -Bstatic\n#LINK_FLAGS = -Bstatic -Bstatic_pgi\n\nelse ifeq ($(compiler),nvhpc)\n\n FC = nvfortran\n CC = nvc\n F_FLAGS = -Mfixed -Mextend -Mbounds -O0 -traceback -Mchkptr -Mchkstk -traceback -Ktrap=fp -I . -g\n f_FLAGS = -Mfixed -Mextend -Mbounds -O0 -traceback -Mchkptr -Mchkstk -traceback -Ktrap=fp -I . -g\n f90_FLAGS = -Mfree -Mextend -Mbounds -O0 -traceback -Mchkptr -Mchkstk -traceback -Ktrap=fp -I . -g\n F90_FLAGS = -Mfree -Mextend -Mbounds -O0 -traceback -Mchkptr -Mchkstk -traceback -Ktrap=fp -I . -g\n C_FLAGS = -O2 -DFLDMN=1\n LINK_FLAGS =\n#LINK_FLAGS = -Bstatic -Bstatic_pgi\n\nelse ifeq ($(compiler),gcc)\n FC = gfortran\n CC = gcc\n f_FLAGS = -ffixed-form -ffixed-line-length-132 -funroll-loops -O0 -ffpe-trap=invalid,zero -g -finit-character=32 -I. -fcheck=all -fbounds-check\n F_FLAGS = $(f_FLAGS)\n f90_FLAGS = -cpp -ffree-form -ffree-line-length-none -funroll-loops -O0 -ffpe-trap=invalid,zero -g -finit-character=32 -I. -fcheck=all -fbounds-check\n F90_FLAGS = $(f90_FLAGS)\n C_FLAGS = -O2 -DFLDMN -I /home/wdx/lib/x86_64/gcc/mpich/include\n LINKER = $(FC)\n LINK_FLAGS = \n\nelse\n ERROR1 = \"Makefile not configured to support the specified compiler, $(compiler). User must modify Makefile.\"\nendif\n\nifdef ERROR1\n $(error $(ERROR1))\nendif\n\nifdef INPDIR\n MECH_INC = $(INPDIR)\nelse\n ERROR2 = \"BuildRun script error: Input directory containing RXNS_DATA_MODULE.F90 not defined\"\nendif\n\nifdef ERROR2\n $(error $(ERROR2))\nendif\n\nLIBRARIES = \n\n\nifndef USE_RXNS_MODULES\n INCLUDES = \\\n -Dverbose_phot -Dmech_includes \\\n -DSUBST_RXCMMN=\\\"$(MECH_INC)/RXCM.EXT\\\" \\\n -DSUBST_RXDATA=\\\"$(MECH_INC)/RXDT.EXT\\\" \nelse\n INCLUDES = -Dverbose_phot\nendif\n\n\n#CHECK_CSQY_DATA.o \\\n\nifndef USE_RXNS_MODULES\n OBJECTS =\\\n module_envvar.o \\\n BIN_DATA.o \\\n CSQY_PARAMETERS.o \\\n ALBEDO_REFER_DATA.o \\\n CSQY_REFER_DATA.o \\\n driver.o \\\n intavg_b.o \\\n intavg_c.o \\\n intavg.o \\\n wrt_csqy_data_only.o \\\n wrt_csqy_data.o \\\n wrt_optics_data.o \\\n optics_water_cloud.o \\\n optics_ice_cloud.o \\\n aero_refract_index.o \\\n process_csqys.o \\\n spectral_reflect.o \\\n wvbin_average-b.o \\\n wvbin_average.o \\\n xc_qy_td_effect_v3.o \\\n convert_case.o \nelse\n OBJECTS =\\\n module_envvar.o \\\n BIN_DATA.o \\\n RXNS_DATA_MODULE.o \\\n CSQY_PARAMETERS.o \\\n ALBEDO_REFER_DATA.o \\\n CSQY_REFER_DATA.o \\\n driver.o \\\n intavg_b.o \\\n intavg_c.o \\\n intavg.o \\\n wrt_csqy_data_only.o \\\n wrt_csqy_data.o \\\n wrt_optics_data.o \\\n optics_water_cloud.o \\\n optics_ice_cloud.o \\\n aero_refract_index.o \\\n process_csqys.o \\\n spectral_reflect.o \\\n wvbin_average-b.o \\\n wvbin_average.o \\\n xc_qy_td_effect_v3.o \\\n convert_case.o \nendif\n\n\n.SUFFIXES: .F .f .c\n\n$(MODEL): $(OBJECTS)\n\t$(FC) $(LINK_FLAGS) $(OBJECTS) $(LIBRARIES) -o $@\n\n.F.o:\n\t$(FC) -c $(F_FLAGS) $(CPP_FLAGS) $(INCLUDES) $<\n\n.f.o:\n\t$(FC) $(F_FLAGS) -c $<\n\n.F90.o:\n\t$(FC) -c $(F90_FLAGS) $(CPP_FLAGS) $(INCLUDES) $<\n\n\n RXNS_DATA_MODULE.o: $(MECH_INC)/RXNS_DATA_MODULE.F90\n\t$(FC) -c $(F90_FLAGS) $(CPP_FLAGS) $(INCLUDES) $(MECH_INC)/RXNS_DATA_MODULE.F90\n\n.f90.o:\n\t$(FC) -c $(f90_FLAGS) $<\n\n.c.o:\n\t$(CC) $(C_FLAGS) -c $<\n\nclean:\n\trm -f $(OBJECTS) *.o $(MODEL)_* *.mod\n" }, { "path": "UTIL/inline_phot_preproc/src/intavg.f", "content": "\nC***********************************************************************\nC Portions of Models-3/CMAQ software were developed or based on *\nC information from various groups: Federal Government employees, *\nC contractors working on a United States Government contract, and *\nC non-Federal sources (including research institutions). These *\nC research institutions have given the Government permission to *\nC use, prepare derivative works, and distribute copies of their *\nC work in Models-3/CMAQ to the public and to permit others to do *\nC so. EPA therefore grants similar permissions for use of the *\nC Models-3/CMAQ software, but users are requested to provide copies *\nC of derivative works to the Government without restrictions as to *\nC use by others. Users are responsible for acquiring their own *\nC copies of commercial software associated with Models-3/CMAQ and *\nC for complying with vendor requirements. Software copyrights by *\nC the MCNC Environmental Modeling Center are used with their *\nC permissions subject to the above restrictions. *\nC***********************************************************************\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/work/rep/JPROC/src/driver/jproc_table/intavg.f,v 1.3 2002/04/15 18:00:44 yoj Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC @(#)intavg.F\t1.1 /project/mod3/JPROC/src/driver/jproc_table/SCCS/s.intavg.F 23 May 1997 12:44:18\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE INTAVG ( WLIN, CQIN, NWLIN, SPECTRA_TYPE,\n & NWLOUT, WLOUT1, WLOUT2, CQOUT )\n \nC*********************************************************************\nC\nC This program computes the integrated average data for the ET\nC extra terrestrial irradiance wavelength intervals\nC\nC History:\nC S.Roselle 6/05/95 Program created\nC S.Roselle 7/25/96 Revised subroutine to compute interval\nC average quantities for point, centered,\nC beginning, and ending data\nC\nC*********************************************************************\n\n USE CSQY_PARAMETERS\n\n IMPLICIT NONE \n \n\nC...........PARAMETERS and their descriptions\n\n INTEGER, PARAMETER :: XSTAT2 = 2 ! Program ERROR exit status\n\nC...........ARGUMENTS and their descriptions\n\n CHARACTER(1), INTENT( IN ) :: SPECTRA_TYPE ! spectra type\n INTEGER, INTENT( IN ) :: NWLOUT ! number of intervals ETin\n INTEGER, INTENT( IN ) :: NWLIN ! number of intervals CQin\n REAL, INTENT( IN ) :: WLIN ( : ) ! wl for CQin\n REAL, INTENT( IN ) :: CQIN( : ) ! quantity (CS or QY) as f(WLIN)\n REAL, INTENT( INOUT ) :: WLOUT1( : ) ! lower limit on wl int ETin\n REAL, INTENT( INOUT ) :: WLOUT2( : ) ! upper limit on wl int ETin\n REAL, INTENT( OUT ) :: CQOUT ( : ) ! quantity (CS or QY) as f(WLOUT)\n\nC...........LOCAL VARIABLES and their descriptions:\n \n CHARACTER( 16 ), SAVE :: PNAME = 'INTAVG' ! program name\n CHARACTER( 80 ) :: MSG = ' ' ! message\n\n REAL :: WLIN1( MXWLIN ) ! lower limit on wl int CQin\n REAL :: WLIN2( MXWLIN ) ! upper limit on wl int CQin\n REAL :: DWLIN ! wl int for CQin\n REAL :: CQA ! lower cq value\n REAL :: CQB ! upper cq value\n\n INTEGER :: I ! index var\n INTEGER :: J ! index var\n INTEGER :: MXWLPT ! pointer\n INTEGER :: MNWLPT ! pointer\n \nC*********************************************************************\nC...begin body of subroutine INTAVG\n\nC...process point data\n\n IF ( SPECTRA_TYPE .EQ. 'P' ) THEN\n\nC...transform the data to the same wavelength intervals as\nC... the irradiance data.\n\nC...loop through wavelength intervals for output arrays\n\n DO I = 1, NWLOUT\n\nC...find lower limit on input array\nC print*,'point 3 intavg ',NWLOUT,i,j\n\n MNWLPT = 1\n DO J = 1, NWLIN\n IF ( WLIN( J ) .LE. WLOUT1( I ) ) MNWLPT = J\n END DO\n\nC...find upper limit on input array\n\n MXWLPT = NWLIN\n DO J = NWLIN, 1, -1\n IF ( WLIN( J ) .GE. WLOUT2( I ) ) MXWLPT = J\n END DO\n\nC print*,'point 1 intavg '\nC...initialize output arrays\n\n CQOUT( I ) = 0.0\n\nC...loop through the valid wavelength intervals\n\n DO J = MNWLPT, MXWLPT \n\nC...determine weighting fraction for the wavelength interval\n\n IF ( WLOUT1( I ) .LE. WLIN( J ) ) THEN\n \n IF ( WLOUT2( I ) .EQ. WLIN( J+1 ) ) THEN\n DWLIN = WLIN( J+1 ) - WLIN( J )\n CQA = CQIN( J )\n CQB = CQIN( J+1 )\n ELSE IF ( WLOUT2( I ) .LT. WLIN( J+1 ) ) THEN\n DWLIN = WLOUT2( I ) - WLIN( J )\n CQA = CQIN( J )\n CQB = ( CQIN( J+1 ) - CQIN( J ) )\n & / ( WLIN( J+1 ) - WLIN( J ) )\n & * ( WLOUT2( I ) - WLIN( J ) ) + CQIN( J )\n ELSE IF ( WLOUT2( I ) .GT. WLIN( J+1 ) ) THEN\n DWLIN = WLIN( J+1 ) - WLIN( J )\n CQA = CQIN( J )\n CQB = CQIN( J+1 )\n END IF\n \n ELSE IF ( WLOUT1( I ) .GT. WLIN( J ) ) THEN\n\n IF ( WLOUT2( I ) .EQ. WLIN( J+1 ) ) THEN\n DWLIN = WLIN( J+1 ) - WLOUT1( I )\n CQA = ( CQIN( J+1 ) - CQIN( J ) )\n & / ( WLIN( J+1 ) - WLIN( J ) )\n & * ( WLOUT1( I ) - WLIN( J ) ) + CQIN( J )\n CQB = CQIN( J+1 )\n ELSE IF ( WLOUT2( I ) .LT. WLIN( J+1 ) ) THEN\n DWLIN = WLOUT2( I ) - WLOUT1( I )\n CQA = ( CQIN( J+1 ) - CQIN( J ) )\n & / ( WLIN( J+1 ) - WLIN( J ) )\n & * ( WLOUT1( I ) - WLIN( J ) ) + CQIN( J )\n CQB = ( CQIN( J+1 ) - CQIN( J ) )\n & / ( WLIN( J+1 ) - WLIN( J ) )\n & * ( WLOUT2( I ) - WLIN( J ) ) + CQIN( J )\n ELSE IF ( WLOUT2( I ) .GT. WLIN( J+1 ) ) THEN\n DWLIN = WLIN( J+1 ) - WLOUT1( I )\n CQA = ( CQIN( J+1 ) - CQIN( J ) )\n & / ( WLIN( J+1 ) - WLIN( J ) )\n & * ( WLOUT1( I ) - WLIN( J ) ) + CQIN( J )\n CQB = CQIN( J+1 )\n END IF\n \n END IF\n\nC print*,'point 2 intavg '\n\nC...set wavelength interval fraction\n\n DWLIN = AMAX1 ( DWLIN / ( WLOUT2( I ) - WLOUT1( I ) ), 0.0 )\n\nC...add weighted quantity to output arrays\n\n CQOUT( I ) = CQOUT( I ) + 0.5 * ( CQA + CQB ) * DWLIN\n\n END DO\n\n\n END DO\n\nC...process interval data\n\nC print*,'point 4 intavg '\n\n ELSE\n\nC...determine wl intervals for CENTERED WLBAND data\n\n IF ( SPECTRA_TYPE .EQ. 'C' ) THEN\n\n WLIN1( 1 ) = 0.5 * (( 3.0 * WLIN( 1 ) ) - WLIN( 2 ))\n WLIN2( 1 ) = 0.5 * (WLIN( 1 ) + WLIN( 2 ))\n\n DO J = 2, NWLIN-1\n WLIN1( J ) = 0.5 * (WLIN( J ) + WLIN ( J-1 ))\n WLIN2( J ) = 0.5 * (WLIN( J ) + WLIN ( J+1 ))\n END DO\n\nC...determine wl intervals for BEGINNING WLBAND data\n\n ELSE IF ( SPECTRA_TYPE .EQ. 'B' ) THEN\n\n DO J = 1, NWLIN-1\n WLIN1( J ) = WLIN( J )\n WLIN2( J ) = WLIN( J+1 )\n END DO\n\nC...determine wl intervals for ENDING WLBAND data\n\n ELSE IF ( SPECTRA_TYPE .EQ. 'E' ) THEN\n\n DO J = 2, NWLIN\n WLIN1( J-1 ) = WLIN( J-1 )\n WLIN2( J-1 ) = WLIN( J )\n END DO\n\nC...stop program if wavelength data type not found\n\n ELSE\n\n MSG = 'Unrecognized spectra type in ' // PNAME\n WRITE(*,*)MSG\n\t STOP\n\n END IF\n\nC...loop through wavelength intervals for output arrays\n\n DO I = 1, NWLOUT\n\nC...find lower limit on input array\n \n MNWLPT = 1 \n DO J = 1, NWLIN-1\n IF ( WLIN1( J ) .LE. WLOUT1( I ) ) MNWLPT = J\n END DO\n\nC...find upper limit on input array\n\n MXWLPT = NWLIN-1\n DO J = NWLIN-1, 1, -1\n IF ( WLIN2( J ) .GE. WLOUT2( I ) ) MXWLPT = J\n END DO\n\nC...initialize output arrays\n\n CQOUT( I ) = 0.0\n\nC...loop through the valid wavelength intervals\n\n DO J = MNWLPT, MXWLPT \n\nC...determine weighting fraction for the wavelength interval\n\n IF ( WLOUT1( I ) .LE. WLIN1( J ) ) THEN\n \n IF ( WLOUT2( I ) .EQ. WLIN2( J ) ) THEN\n DWLIN = WLIN2( J ) - WLIN1( J )\n ELSE IF ( WLOUT2( I ) .LT. WLIN2( J ) ) THEN\n DWLIN = WLOUT2( I ) - WLIN1( J )\n ELSE IF ( WLOUT2( I ) .GT. WLIN2( J ) ) THEN\n DWLIN = WLIN2( J ) - WLIN1( J )\n END IF\n \n ELSE IF ( WLOUT1( I ) .GT. WLIN1( J ) ) THEN\n\n IF ( WLOUT2( I ) .EQ. WLIN2( J ) ) THEN\n DWLIN = WLIN2( J ) - WLOUT1( I )\n ELSE IF ( WLOUT2( I ) .LT. WLIN2( J ) ) THEN\n DWLIN = WLOUT2( I ) - WLOUT1( I )\n ELSE IF ( WLOUT2( I ) .GT. WLIN2( J ) ) THEN\n DWLIN = WLIN2( J ) - WLOUT1( I )\n END IF\n \n END IF\n\nC...set wavelength interval fraction\n\n DWLIN = AMAX1 ( DWLIN / ( WLOUT2( I ) - WLOUT1( I ) ), 0.0 )\n\nC...add weighted quantity to output arrays\n\n CQOUT( I ) = CQOUT( I ) + CQIN( J ) * DWLIN\n\n END DO\n\n END DO\n\n END IF\n\nC print*,'point 5 intavg '\n \n RETURN\n END\n" }, { "path": "UTIL/inline_phot_preproc/src/intavg_b.f", "content": "\nC***********************************************************************\nC Portions of Models-3/CMAQ software were developed or based on *\nC information from various groups: Federal Government employees, *\nC contractors working on a United States Government contract, and *\nC non-Federal sources (including research institutions). These *\nC research institutions have given the Government permission to *\nC use, prepare derivative works, and distribute copies of their *\nC work in Models-3/CMAQ to the public and to permit others to do *\nC so. EPA therefore grants similar permissions for use of the *\nC Models-3/CMAQ software, but users are requested to provide copies *\nC of derivative works to the Government without restrictions as to *\nC use by others. Users are responsible for acquiring their own *\nC copies of commercial software associated with Models-3/CMAQ and *\nC for complying with vendor requirements. Software copyrights by *\nC the MCNC Environmental Modeling Center are used with their *\nC permissions subject to the above restrictions. *\nC***********************************************************************\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/work/rep/JPROC/src/driver/jproc_table/intavg.f,v 1.3 2002/04/15 18:00:44 yoj Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC @(#)intavg.F\t1.1 /project/mod3/JPROC/src/driver/jproc_table/SCCS/s.intavg.F 23 May 1997 12:44:18\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE INTAVG_B ( WLIN, CQIN, NWLIN, TYPE,\n & WLOUT1, WLOUT2, CQOUT, NWLOUT )\n \nC*********************************************************************\nC\nC This program computes the integrated average data for the ET\nC extra terrestrial irradiance wavelength intervals\nC\nC History:\nC S.Roselle 6/05/95 Program created\nC S.Roselle 7/25/96 Revised subroutine to compute interval\nC average quantities for point, centered,\nC beginning, and ending data\nC\nC*********************************************************************\n\n USE CSQY_PARAMETERS\n\n IMPLICIT NONE \n \n! INCLUDE 'JVALPARMS.EXT' ! jproc parameters\n\nC...........PARAMETERS and their descriptions\n\n INTEGER XSTAT2 ! Program ERROR exit status\n PARAMETER ( XSTAT2 = 2 )\n\nC...........ARGUMENTS and their descriptions\n\n CHARACTER*1 TYPE ! spectra type\n\n INTEGER NWLOUT ! number of intervals ETin\n INTEGER NWLIN ! number of intervals CQin\n\n REAL WLIN ( MXWLIN ) ! wl for CQin\n REAL WLIN1( MXWLIN ) ! lower limit on wl int CQin\n REAL WLIN2( MXWLIN ) ! upper limit on wl int CQin\n REAL CQIN( MXWLIN ) ! quantity (CS or QY) as f(WLIN)\n REAL WLOUT1( MXWL ) ! lower limit on wl int ETin\n REAL WLOUT2( MXWL ) ! upper limit on wl int ETin\n REAL CQOUT ( MXWL ) ! quantity (CS or QY) as f(WLOUT)\n\nC...........LOCAL VARIABLES and their descriptions:\n \n CHARACTER*16 PNAME ! program name\n DATA PNAME / 'INTAVG' /\n CHARACTER*80 MSG ! message\n DATA MSG / ' ' /\n\n INTEGER I ! index var\n INTEGER J ! index var\n INTEGER JJ ! counter var\n INTEGER MXWLPT ! pointer\n INTEGER MNWLPT ! pointer\n \n REAL DWLIN ! wl int for CQin\n REAL CQA ! lower cq value\n REAL CQB ! upper cq value\n \nC*********************************************************************\nC...begin body of subroutine INTAVG\n\nC...process point data\n\n jj = 0\n jj = jj + 1\nC print*,'inside intave_b ',jj\n\n IF ( TYPE .EQ. 'P' ) THEN\n\nC...transform the data to the same wavelength intervals as\nC... the irradiance data.\n\nC...loop through wavelength intervals for output arrays\n\n DO I = 1, NWLOUT\n\nC...find lower limit on input array\n\n MNWLPT = 1\n DO J = 1, NWLIN\n IF ( WLIN( J ) .LE. WLOUT1( I ) ) MNWLPT = J\n END DO\n\nC...find upper limit on input array\n\n MXWLPT = NWLIN\n DO J = NWLIN, 1, -1\n IF ( WLIN( J ) .GE. WLOUT2( I ) ) MXWLPT = J\n END DO\n\nC...initialize output arrays\n\n CQOUT( I ) = 0.0\n\nC...loop through the valid wavelength intervals\n\n DO J = MNWLPT, MXWLPT \n\nC...determine weighting fraction for the wavelength interval\n\n IF ( WLOUT1( I ) .LE. WLIN( J ) ) THEN\n \n IF ( WLOUT2( I ) .EQ. WLIN( J+1 ) ) THEN\n DWLIN = WLIN( J+1 ) - WLIN( J )\n CQA = CQIN( J )\n CQB = CQIN( J+1 )\n ELSE IF ( WLOUT2( I ) .LT. WLIN( J+1 ) ) THEN\n DWLIN = WLOUT2( I ) - WLIN( J )\n CQA = CQIN( J )\n CQB = ( CQIN( J+1 ) - CQIN( J ) )\n & / ( WLIN( J+1 ) - WLIN( J ) )\n & * ( WLOUT2( I ) - WLIN( J ) ) + CQIN( J )\n ELSE IF ( WLOUT2( I ) .GT. WLIN( J+1 ) ) THEN\n DWLIN = WLIN( J+1 ) - WLIN( J )\n CQA = CQIN( J )\n CQB = CQIN( J+1 )\n END IF\n \n ELSE IF ( WLOUT1( I ) .GT. WLIN( J ) ) THEN\n\n IF ( WLOUT2( I ) .EQ. WLIN( J+1 ) ) THEN\n DWLIN = WLIN( J+1 ) - WLOUT1( I )\n CQA = ( CQIN( J+1 ) - CQIN( J ) )\n & / ( WLIN( J+1 ) - WLIN( J ) )\n & * ( WLOUT1( I ) - WLIN( J ) ) + CQIN( J )\n CQB = CQIN( J+1 )\n ELSE IF ( WLOUT2( I ) .LT. WLIN( J+1 ) ) THEN\n DWLIN = WLOUT2( I ) - WLOUT1( I )\n CQA = ( CQIN( J+1 ) - CQIN( J ) )\n & / ( WLIN( J+1 ) - WLIN( J ) )\n & * ( WLOUT1( I ) - WLIN( J ) ) + CQIN( J )\n CQB = ( CQIN( J+1 ) - CQIN( J ) )\n & / ( WLIN( J+1 ) - WLIN( J ) )\n & * ( WLOUT2( I ) - WLIN( J ) ) + CQIN( J )\n ELSE IF ( WLOUT2( I ) .GT. WLIN( J+1 ) ) THEN\n DWLIN = WLIN( J+1 ) - WLOUT1( I )\n CQA = ( CQIN( J+1 ) - CQIN( J ) )\n & / ( WLIN( J+1 ) - WLIN( J ) )\n & * ( WLOUT1( I ) - WLIN( J ) ) + CQIN( J )\n CQB = CQIN( J+1 )\n END IF\n \n END IF\n\nC...set wavelength interval fraction\n\n DWLIN = AMAX1 ( DWLIN / ( WLOUT2( I ) - WLOUT1( I ) ), 0.0 )\n\nC...add weighted quantity to output arrays\n\n CQOUT( I ) = CQOUT( I ) + 0.5 * ( CQA + CQB ) * DWLIN\n\n END DO\n\n END DO\n\nC...process interval data\n\n ELSE\n jj = jj + 1\nC print*,'inside intave_b ',jj\n\nC...determine wl intervals for CENTERED WLBAND data\n\n IF ( TYPE .EQ. 'C' ) THEN\n\n WLIN1( 1 ) = 0.5 * (( 3.0 * WLIN( 1 ) ) - WLIN( 2 ))\n WLIN2( 1 ) = 0.5 * (WLIN( 1 ) + WLIN( 2 ))\n\n DO J = 2, NWLIN-1\n WLIN1( J ) = 0.5 * (WLIN( J ) + WLIN ( J-1 ))\n WLIN2( J ) = 0.5 * (WLIN( J ) + WLIN ( J+1 ))\n END DO\n\nC...determine wl intervals for BEGINNING WLBAND data\n\n ELSE IF ( TYPE .EQ. 'B' ) THEN\n jj = jj + 1\nC print*,'inside intave_b ',jj\n\n DO J = 1, NWLIN-1\n WLIN1( J ) = WLIN( J )\n WLIN2( J ) = WLIN( J+1 )\n END DO\n jj = jj + 1\nC print*,'inside intave_b ',jj\n\nC...determine wl intervals for ENDING WLBAND data\n\n ELSE IF ( TYPE .EQ. 'E' ) THEN\n\n DO J = 2, NWLIN\n WLIN1( J-1 ) = WLIN( J-1 )\n WLIN2( J-1 ) = WLIN( J )\n END DO\n\nC...stop program if wavelength data type not found\n\n ELSE\n\n MSG = 'Unrecognized spectra type in ' // PNAME\n WRITE(6,*)MSG\n\t STOP\n\n END IF\n\n jj = jj + 1\nC print*,'inside intave_b ',jj\n\nC...loop through wavelength intervals for output arrays\n\n DO I = 1, NWLOUT\n\nC...find lower limit on input array\n \n MNWLPT = 1 \n DO J = 1, NWLIN-1\n IF ( WLIN1( J ) .LE. WLOUT1( I ) ) MNWLPT = J\n END DO\n\nC...find upper limit on input array\n\n MXWLPT = NWLIN-1\n DO J = NWLIN-1, 1, -1\n IF ( WLIN2( J ) .GE. WLOUT2( I ) ) MXWLPT = J\n END DO\n\nC...initialize output arrays\n jj = jj + 1\nC print*,'inside intave_b ',jj\n\n CQOUT( I ) = 0.0\n\nC...loop through the valid wavelength intervals\n\n DO J = MNWLPT, MXWLPT \n\nC...determine weighting fraction for the wavelength interval\n\n IF ( WLOUT1( I ) .LE. WLIN1( J ) ) THEN\n \n IF ( WLOUT2( I ) .EQ. WLIN2( J ) ) THEN\n DWLIN = WLIN2( J ) - WLIN1( J )\n ELSE IF ( WLOUT2( I ) .LT. WLIN2( J ) ) THEN\n DWLIN = WLOUT2( I ) - WLIN1( J )\n ELSE IF ( WLOUT2( I ) .GT. WLIN2( J ) ) THEN\n DWLIN = WLIN2( J ) - WLIN1( J )\n END IF\n \n ELSE IF ( WLOUT1( I ) .GT. WLIN1( J ) ) THEN\n\n IF ( WLOUT2( I ) .EQ. WLIN2( J ) ) THEN\n DWLIN = WLIN2( J ) - WLOUT1( I )\n ELSE IF ( WLOUT2( I ) .LT. WLIN2( J ) ) THEN\n DWLIN = WLOUT2( I ) - WLOUT1( I )\n ELSE IF ( WLOUT2( I ) .GT. WLIN2( J ) ) THEN\n DWLIN = WLIN2( J ) - WLOUT1( I )\n END IF\n \n END IF\n\nC...set wavelength interval fraction\n\n DWLIN = AMAX1 ( DWLIN / ( WLOUT2( I ) - WLOUT1( I ) ), 0.0 )\n\nC...add weighted quantity to output arrays\n\n CQOUT( I ) = CQOUT( I ) + CQIN( J ) * DWLIN\n\n END DO\n\n END DO\n jj = jj + 1\nC print*,'inside intave_b ',jj\n\n END IF\n jj = jj + 1\nC print*,'inside intave_b ',jj\n \n RETURN\n END\n" }, { "path": "UTIL/inline_phot_preproc/src/intavg_c.f", "content": "\nC***********************************************************************\nC Portions of Models-3/CMAQ software were developed or based on *\nC information from various groups: Federal Government employees, *\nC contractors working on a United States Government contract, and *\nC non-Federal sources (including research institutions). These *\nC research institutions have given the Government permission to *\nC use, prepare derivative works, and distribute copies of their *\nC work in Models-3/CMAQ to the public and to permit others to do *\nC so. EPA therefore grants similar permissions for use of the *\nC Models-3/CMAQ software, but users are requested to provide copies *\nC of derivative works to the Government without restrictions as to *\nC use by others. Users are responsible for acquiring their own *\nC copies of commercial software associated with Models-3/CMAQ and *\nC for complying with vendor requirements. Software copyrights by *\nC the MCNC Environmental Modeling Center are used with their *\nC permissions subject to the above restrictions. *\nC***********************************************************************\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/work/rep/JPROC/src/driver/jproc_table/intavg.f,v 1.3 2002/04/15 18:00:44 yoj Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC @(#)intavg.F\t1.1 /project/mod3/JPROC/src/driver/jproc_table/SCCS/s.intavg.F 23 May 1997 12:44:18\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE INTAVG_C ( WLIN, CQIN, NWLIN, SPECTRA_TYPE,\n & NWLOUT, WLOUT1, WLOUT2, CQOUT )\n \nC*********************************************************************\nC\nC This program computes the integrated average data for the ET\nC extra terrestrial irradiance wavelength intervals\nC\nC History:\nC S.Roselle 6/05/95 Program created\nC S.Roselle 7/25/96 Revised subroutine to compute interval\nC average quantities for point, centered,\nC beginning, and ending data\nC\nC*********************************************************************\n\n\n USE CSQY_PARAMETERS\n\n IMPLICIT NONE \n \n\nC...........PARAMETERS and their descriptions\n\n INTEGER, PARAMETER :: XSTAT2 = 2 ! Program ERROR exit status\n\nC...........ARGUMENTS and their descriptions\n\n CHARACTER(1), INTENT( IN ) :: SPECTRA_TYPE ! spectra type\n INTEGER, INTENT( IN ) :: NWLOUT ! number of intervals ETin\n INTEGER, INTENT( IN ) :: NWLIN ! number of intervals CQin\n REAL, INTENT( IN ) :: WLIN ( : ) ! wl for CQin\n REAL, INTENT( IN ) :: CQIN( : ) ! quantity (CS or QY) as f(WLIN)\n REAL, INTENT( INOUT ) :: WLOUT1( : ) ! lower limit on wl int ETin\n REAL, INTENT( INOUT ) :: WLOUT2( : ) ! upper limit on wl int ETin\n REAL, INTENT( OUT ) :: CQOUT ( : ) ! quantity (CS or QY) as f(WLOUT)\n\nC...........LOCAL VARIABLES and their descriptions:\n \n CHARACTER( 16 ), SAVE :: PNAME = 'INTAVG_C' ! program name\n CHARACTER( 80 ) :: MSG = ' ' ! message\n\n REAL :: WLIN1( MXWLIN ) ! lower limit on wl int CQin\n REAL :: WLIN2( MXWLIN ) ! upper limit on wl int CQin\n REAL :: DWLIN ! wl int for CQin\n REAL :: CQA ! lower cq value\n REAL :: CQB ! upper cq value\n\n INTEGER :: I ! index var\n INTEGER :: J ! index var\n INTEGER :: MXWLPT ! pointer\n INTEGER :: MNWLPT ! pointer\n \n \n CHARACTER( 1 ) :: DATA_TYPE\n\n INTERFACE\n SUBROUTINE CONVERT_CASE ( BUFFER, UPPER )\n CHARACTER(LEN= *), INTENT( INOUT ) :: BUFFER\n LOGICAL, INTENT( IN ) :: UPPER\n END SUBROUTINE CONVERT_CASE\n END INTERFACE\n \nC*********************************************************************\nC...begin body of subroutine INTAVG\n\nC...process point data\n\n\n DATA_TYPE( 1:1) = SPECTRA_TYPE( 1:1 )\n \n CALL CONVERT_CASE( DATA_TYPE, .TRUE. )\n\n IF ( DATA_TYPE .EQ. 'P' ) THEN\n\nC...transform the data to the same wavelength intervals as\nC... the irradiance data.\n\nC...loop through wavelength intervals for output arrays\n\n DO I = 1, NWLOUT\n\nC...find lower limit on input array\n\n MNWLPT = NWLIN\n DO J = 1, NWLIN\n IF ( WLIN( J ) .LE. WLOUT1( I ) ) MNWLPT = J\n END DO\n! write(6,'(2(i5,1x,i5,1x,f6.2,1x,f6.2,1x,i3,1x,i3,1x,f6.2))')\n! & i, size(wlout1), wlout1(i), wlout2(i), MNWLPT, size(wlin),wlin(MNWLPT)\n\nC...find upper limit on input array\n\n MXWLPT = 0\n DO J = NWLIN, 1, -1\n IF ( WLIN( J ) .GE. WLOUT2( I ) ) MXWLPT = J\n END DO\n! if( MXWLPT .lt. 1)then\n! print*,PNAME,': MXWLPT undefined '\n! else\n! write(6,'(2(i5,1x,i5,1x,f6.2,1x,f6.2,1x,i3,1x,i3,1x,f6.2))')\n! & i, size(wlout1), wlout1(i), wlout2(i), MXWLPT,size(wlin), wlin(MXWLPT)\n! endif\n\n \nC...initialize output arrays\n\n CQOUT( I ) = 0.0\n\nC...loop through the valid wavelength intervals\n\n DO J = MNWLPT, MXWLPT \n \nC print *, j, wlin(j), wlin(j+1), wlout1(I), wlout2(I)\n \n cqa = 0.0\n cqb = 0.0\n dwlin = 0.0\n\nC...determine weighting fraction for the wavelength interval\n\n IF ( WLOUT1( I ) .LE. WLIN( J ) ) THEN\n \n IF ( WLOUT2( I ) .EQ. WLIN( J+1 ) ) THEN\n DWLIN = WLIN( J+1 ) - WLIN( J )\n CQA = CQIN( J )\n CQB = CQIN( J+1 )\n ELSE IF ( WLOUT2( I ) .LT. WLIN( J+1 ) ) THEN\n DWLIN = WLOUT2( I ) - WLIN( J )\n CQA = CQIN( J )\n CQB = ( CQIN( J+1 ) - CQIN( J ) )\n & / ( WLIN( J+1 ) - WLIN( J ) )\n & * ( WLOUT2( I ) - WLIN( J ) ) + CQIN( J )\n ELSE IF ( WLOUT2( I ) .GT. WLIN( J+1 ) ) THEN\n DWLIN = WLIN( J+1 ) - WLIN( J )\n CQA = CQIN( J )\n CQB = CQIN( J+1 )\n END IF\n \n ELSE IF ( WLOUT1( I ) .GT. WLIN( J ) ) THEN\n\n IF ( WLOUT2( I ) .EQ. WLIN( J+1 ) ) THEN\n DWLIN = WLIN( J+1 ) - WLOUT1( I )\n CQA = ( CQIN( J+1 ) - CQIN( J ) )\n & / ( WLIN( J+1 ) - WLIN( J ) )\n & * ( WLOUT1( I ) - WLIN( J ) ) + CQIN( J )\n CQB = CQIN( J+1 )\n ELSE IF ( WLOUT2( I ) .LT. WLIN( J+1 ) ) THEN\n DWLIN = WLOUT2( I ) - WLOUT1( I )\n CQA = ( CQIN( J+1 ) - CQIN( J ) )\n & / ( WLIN( J+1 ) - WLIN( J ) )\n & * ( WLOUT1( I ) - WLIN( J ) ) + CQIN( J )\n CQB = ( CQIN( J+1 ) - CQIN( J ) )\n & / ( WLIN( J+1 ) - WLIN( J ) )\n & * ( WLOUT2( I ) - WLIN( J ) ) + CQIN( J )\n ELSE IF ( WLOUT2( I ) .GT. WLIN( J+1 ) ) THEN\n DWLIN = WLIN( J+1 ) - WLOUT1( I )\n CQA = ( CQIN( J+1 ) - CQIN( J ) )\n & / ( WLIN( J+1 ) - WLIN( J ) )\n & * ( WLOUT1( I ) - WLIN( J ) ) + CQIN( J )\n CQB = CQIN( J+1 )\n END IF\n \n END IF\n\nC...set wavelength interval fraction\n\nc print *, dwlin, cqa, cqb\n DWLIN = MAX ( DWLIN / ( WLOUT2( I ) - WLOUT1( I ) ), 0.0 )\n\nC...add weighted quantity to output arrays\n\n CQOUT( I ) = CQOUT( I ) + 0.5 * ( CQA + CQB ) * DWLIN\n! print *, 0.5*(WLOUT2( I ) + WLOUT1( I )),CQA,CQB,cqout(i)\n\n END DO\n\n END DO\n\nC...process interval data\n\n ELSE\n\nC...determine wl intervals for CENTERED WLBAND data\n\n IF ( DATA_TYPE .EQ. 'C' ) THEN\n\n WLIN1( 1 ) = 0.5 * (( 3.0 * WLIN( 1 ) ) - WLIN( 2 ))\n WLIN2( 1 ) = 0.5 * (WLIN( 1 ) + WLIN( 2 ))\n\n DO J = 2, NWLIN-1\n WLIN1( J ) = 0.5 * (WLIN( J ) + WLIN ( J-1 ))\n WLIN2( J ) = 0.5 * (WLIN( J ) + WLIN ( J+1 ))\n END DO\n\nC...determine wl intervals for BEGINNING WLBAND data\n\n ELSE IF ( DATA_TYPE .EQ. 'B' ) THEN\n\n DO J = 1, NWLIN-1\n WLIN1( J ) = WLIN( J )\n WLIN2( J ) = WLIN( J+1 )\n END DO\n\nC...determine wl intervals for ENDING WLBAND data\n\n ELSE IF ( DATA_TYPE .EQ. 'E' ) THEN\n\n DO J = 2, NWLIN\n WLIN1( J-1 ) = WLIN( J-1 )\n WLIN2( J-1 ) = WLIN( J )\n END DO\n\nC...stop program if wavelength data type not found\n\n ELSE\n\n MSG = 'Unrecognized spectra type, ' // SPECTRA_TYPE \n & // ' in ' // PNAME\n WRITE(6,*)MSG\n STOP\n\n END IF\n\nC...loop through wavelength intervals for output arrays\n\n DO I = 1, NWLOUT\n\nC...find lower limit on input array\n \n MNWLPT = 1 \n DO J = 1, NWLIN-1\n IF ( WLIN1( J ) .LE. WLOUT1( I ) ) MNWLPT = J\n END DO\n\nC...find upper limit on input array\n\n MXWLPT = NWLIN-1\n DO J = NWLIN-1, 1, -1\n IF ( WLIN2( J ) .GE. WLOUT2( I ) ) MXWLPT = J\n END DO\n\nC...initialize output arrays\n\n CQOUT( I ) = 0.0\n\nC...loop through the valid wavelength intervals\n\n DO J = MNWLPT, MXWLPT \n\nC...determine weighting fraction for the wavelength interval\n\n IF ( WLOUT1( I ) .LE. WLIN1( J ) ) THEN\n \n IF ( WLOUT2( I ) .EQ. WLIN2( J ) ) THEN\n DWLIN = WLIN2( J ) - WLIN1( J )\n ELSE IF ( WLOUT2( I ) .LT. WLIN2( J ) ) THEN\n DWLIN = WLOUT2( I ) - WLIN1( J )\n ELSE IF ( WLOUT2( I ) .GT. WLIN2( J ) ) THEN\n DWLIN = WLIN2( J ) - WLIN1( J )\n END IF\n \n ELSE IF ( WLOUT1( I ) .GT. WLIN1( J ) ) THEN\n\n IF ( WLOUT2( I ) .EQ. WLIN2( J ) ) THEN\n DWLIN = WLIN2( J ) - WLOUT1( I )\n ELSE IF ( WLOUT2( I ) .LT. WLIN2( J ) ) THEN\n DWLIN = WLOUT2( I ) - WLOUT1( I )\n ELSE IF ( WLOUT2( I ) .GT. WLIN2( J ) ) THEN\n DWLIN = WLIN2( J ) - WLOUT1( I )\n END IF\n \n END IF\n\nC...set wavelength interval fraction\n\n DWLIN = AMAX1 ( DWLIN / ( WLOUT2( I ) - WLOUT1( I ) ), 0.0 )\n\nC...add weighted quantity to output arrays\n\n CQOUT( I ) = CQOUT( I ) + CQIN( J ) * DWLIN\n! print *, 0.5*(WLOUT2( I ) + WLOUT1( I )),cqout(i)\n\n END DO\n\n END DO\n\n END IF\n \n RETURN\n END\n" }, { "path": "UTIL/inline_phot_preproc/src/intavg_d.f", "content": "\nC***********************************************************************\nC Portions of Models-3/CMAQ software were developed or based on *\nC information from various groups: Federal Government employees, *\nC contractors working on a United States Government contract, and *\nC non-Federal sources (including research institutions). These *\nC research institutions have given the Government permission to *\nC use, prepare derivative works, and distribute copies of their *\nC work in Models-3/CMAQ to the public and to permit others to do *\nC so. EPA therefore grants similar permissions for use of the *\nC Models-3/CMAQ software, but users are requested to provide copies *\nC of derivative works to the Government without restrictions as to *\nC use by others. Users are responsible for acquiring their own *\nC copies of commercial software associated with Models-3/CMAQ and *\nC for complying with vendor requirements. Software copyrights by *\nC the MCNC Environmental Modeling Center are used with their *\nC permissions subject to the above restrictions. *\nC***********************************************************************\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/work/rep/JPROC/src/driver/jproc_table/intavg.f,v 1.3 2002/04/15 18:00:44 yoj Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC @(#)intavg.F\t1.1 /project/mod3/JPROC/src/driver/jproc_table/SCCS/s.intavg.F 23 May 1997 12:44:18\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE INTAVG_C ( WLIN, CQIN, NWLIN, SPECTRA_TYPE,\n & NWLOUT, WLOUT1, WLOUT2, CQOUT )\n \nC*********************************************************************\nC\nC This program computes the integrated average data for the ET\nC extra terrestrial irradiance wavelength intervals\nC\nC History:\nC S.Roselle 6/05/95 Program created\nC S.Roselle 7/25/96 Revised subroutine to compute interval\nC average quantities for point, centered,\nC beginning, and ending data\nC\nC*********************************************************************\n\n\n USE JPROC_PROFILE\n\n IMPLICIT NONE \n \n! INCLUDE 'JVALPARMS.EXT' ! jproc parameters\n\nC...........PARAMETERS and their descriptions\n\n INTEGER XSTAT2 ! Program ERROR exit status\n PARAMETER ( XSTAT2 = 2 )\n\nC...........ARGUMENTS and their descriptions\n\n CHARACTER(1), INTENT( IN ) :: SPECTRA_TYPE ! spectra type\n INTEGER, INTENT( IN ) :: NWLOUT ! number of intervals ETin\n INTEGER, INTENT( IN ) :: NWLIN ! number of intervals CQin\n REAL, INTENT( IN ) :: WLIN ( MXWLIN ) ! wl for CQin\n REAL, INTENT( IN ) :: CQIN( MXWLIN ) ! quantity (CS or QY) as f(WLIN)\n REAL, INTENT( INOUT ) :: WLOUT1( : ) ! lower limit on wl int ETin\n REAL, INTENT( INOUT ) :: WLOUT2( : ) ! upper limit on wl int ETin\n REAL, INTENT( OUT ) :: CQOUT ( : ) ! quantity (CS or QY) as f(WLOUT)\n\nC...........LOCAL VARIABLES and their descriptions:\n \n CHARACTER*16 PNAME ! program name\n DATA PNAME / 'INTAVG' /\n CHARACTER*80 MSG ! message\n DATA MSG / ' ' /\n\n REAL WLIN1( MXWLIN ) ! lower limit on wl int CQin\n REAL WLIN2( MXWLIN ) ! upper limit on wl int CQin\n\n INTEGER I ! index var\n INTEGER J ! index var\n INTEGER MXWLPT ! pointer\n INTEGER MNWLPT ! pointer\n \n REAL DWLIN ! wl int for CQin\n REAL CQA ! lower cq value\n REAL CQB ! upper cq value\n \nC*********************************************************************\nC...begin body of subroutine INTAVG\n C...initialize output arrays\n\n CQOUT = 0.0\n\nC...process point data\n\n SELECT CASE ( SPECTRA_TYPE )\n CASE( 'P' )\n\nC...transform the data to the same wavelength intervals as\nC... the irradiance data.\n\nC...loop through wavelength intervals for output arrays\n\n DO I = 1, NWLOUT\n\nC...find lower limit on input array\n\n MNWLPT = NWLIN\n DO J = 1, NWLIN\n IF ( WLIN( J ) .LE. WLOUT1( I ) ) MNWLPT = J\n END DO\n\nC...find upper limit on input array\n\n MXWLPT = 0\n DO J = NWLIN, 1, -1\n IF ( WLIN( J ) .GE. WLOUT2( I ) ) MXWLPT = J\n END DO\n \n\nC...loop through the valid wavelength intervals\n\n DO J = MNWLPT, MXWLPT \n \n CQA = 0.0\n CQB = 0.0\n DWLIN = 0.0\n\nC...determine weighting fraction for the wavelength interval\n\n IF ( WLOUT1( I ) .LE. WLIN( J ) ) THEN\n \n IF ( WLOUT2( I ) .EQ. WLIN( J+1 ) ) THEN\n DWLIN = WLIN( J+1 ) - WLIN( J )\n CQA = CQIN( J )\n CQB = CQIN( J+1 )\n ELSE IF ( WLOUT2( I ) .LT. WLIN( J+1 ) ) THEN\n DWLIN = WLOUT2( I ) - WLIN( J )\n CQA = CQIN( J )\n CQB = ( CQIN( J+1 ) - CQIN( J ) )\n & / ( WLIN( J+1 ) - WLIN( J ) )\n & * ( WLOUT2( I ) - WLIN( J ) ) + CQIN( J )\n ELSE IF ( WLOUT2( I ) .GT. WLIN( J+1 ) ) THEN\n DWLIN = WLIN( J+1 ) - WLIN( J )\n CQA = CQIN( J )\n CQB = CQIN( J+1 )\n END IF\n \n ELSE IF ( WLOUT1( I ) .GT. WLIN( J ) ) THEN\n\n IF ( WLOUT2( I ) .EQ. WLIN( J+1 ) ) THEN\n DWLIN = WLIN( J+1 ) - WLOUT1( I )\n CQA = ( CQIN( J+1 ) - CQIN( J ) )\n & / ( WLIN( J+1 ) - WLIN( J ) )\n & * ( WLOUT1( I ) - WLIN( J ) ) + CQIN( J )\n CQB = CQIN( J+1 )\n ELSE IF ( WLOUT2( I ) .LT. WLIN( J+1 ) ) THEN\n DWLIN = WLOUT2( I ) - WLOUT1( I )\n CQA = ( CQIN( J+1 ) - CQIN( J ) )\n & / ( WLIN( J+1 ) - WLIN( J ) )\n & * ( WLOUT1( I ) - WLIN( J ) ) + CQIN( J )\n CQB = ( CQIN( J+1 ) - CQIN( J ) )\n & / ( WLIN( J+1 ) - WLIN( J ) )\n & * ( WLOUT2( I ) - WLIN( J ) ) + CQIN( J )\n ELSE IF ( WLOUT2( I ) .GT. WLIN( J+1 ) ) THEN\n DWLIN = WLIN( J+1 ) - WLOUT1( I )\n CQA = ( CQIN( J+1 ) - CQIN( J ) )\n & / ( WLIN( J+1 ) - WLIN( J ) )\n & * ( WLOUT1( I ) - WLIN( J ) ) + CQIN( J )\n CQB = CQIN( J+1 )\n END IF\n \n END IF\n\nC...set wavelength interval fraction\n\n DWLIN = MAX ( DWLIN / ( WLOUT2( I ) - WLOUT1( I ) ), 0.0 )\n\nC...add weighted quantity to output arrays\n\n CQOUT( I ) = CQOUT( I ) + 0.5 * ( CQA + CQB ) * DWLIN\n print *, 0.5*(WLOUT2( I ) + WLOUT1( I )),cqout(i)\n\n END DO\n END DO\n RETURN\n\n CASE( 'C' )\n\nC...determine wl intervals for CENTERED WLBAND data\n WLIN1( 1 ) = 0.5 * (( 3.0 * WLIN( 1 ) ) - WLIN( 2 ))\n WLIN2( 1 ) = 0.5 * (WLIN( 1 ) + WLIN( 2 ))\n\n DO J = 2, NWLIN-1\n WLIN1( J ) = 0.5 * (WLIN( J ) + WLIN ( J-1 ))\n WLIN2( J ) = 0.5 * (WLIN( J ) + WLIN ( J+1 ))\n END DO\n\n CASE( 'B' )\nC...determine wl intervals for BEGINNING WLBAND data\n\n DO J = 1, NWLIN-1\n WLIN1( J ) = WLIN( J )\n WLIN2( J ) = WLIN( J+1 )\n END DO\n\n\n CASE( 'E' )\nC...determine wl intervals for ENDING WLBAND data\n\n DO J = 2, NWLIN\n WLIN1( J-1 ) = WLIN( J-1 )\n WLIN2( J-1 ) = WLIN( J )\n END DO\n\nC...stop program if wavelength data type not found\n\n CASE DEFAULT\n\n MSG = 'Unrecognized spectra type in ' // PNAME\n WRITE(6,*)MSG\n STOP\n\n END SELECT\n\nC...loop through wavelength intervals for output arrays\n\n DO I = 1, NWLOUT\n\nC...find lower limit on input array\n \n MNWLPT = 1 \n DO J = 1, NWLIN-1\n IF ( WLIN1( J ) .LE. WLOUT1( I ) ) MNWLPT = J\n END DO\n\nC...find upper limit on input array\n\n MXWLPT = NWLIN-1\n DO J = NWLIN-1, 1, -1\n IF ( WLIN2( J ) .GE. WLOUT2( I ) ) MXWLPT = J\n END DO\n\n\nC...loop through the valid wavelength intervals\n\n DO J = MNWLPT, MXWLPT \n\nC...determine weighting fraction for the wavelength interval\n\n IF ( WLOUT1( I ) .LE. WLIN1( J ) ) THEN\n \n IF ( WLOUT2( I ) .EQ. WLIN2( J ) ) THEN\n DWLIN = WLIN2( J ) - WLIN1( J )\n ELSE IF ( WLOUT2( I ) .LT. WLIN2( J ) ) THEN\n DWLIN = WLOUT2( I ) - WLIN1( J )\n ELSE IF ( WLOUT2( I ) .GT. WLIN2( J ) ) THEN\n DWLIN = WLIN2( J ) - WLIN1( J )\n END IF\n \n ELSE IF ( WLOUT1( I ) .GT. WLIN1( J ) ) THEN\n\n IF ( WLOUT2( I ) .EQ. WLIN2( J ) ) THEN\n DWLIN = WLIN2( J ) - WLOUT1( I )\n ELSE IF ( WLOUT2( I ) .LT. WLIN2( J ) ) THEN\n DWLIN = WLOUT2( I ) - WLOUT1( I )\n ELSE IF ( WLOUT2( I ) .GT. WLIN2( J ) ) THEN\n DWLIN = WLIN2( J ) - WLOUT1( I )\n END IF\n \n END IF\n\nC...set wavelength interval fraction\n\n DWLIN = AMAX1 ( DWLIN / ( WLOUT2( I ) - WLOUT1( I ) ), 0.0 )\n\nC...add weighted quantity to output arrays\n\n CQOUT( I ) = CQOUT( I ) + CQIN( J ) * DWLIN\n\n END DO\n END DO\n \n RETURN\n END\n" }, { "path": "UTIL/inline_phot_preproc/src/module_envvar.F", "content": "\n MODULE GET_ENV_VARS\n\n IMPLICIT NONE\n PUBLIC :: GET_ENV_STRING, GET_ENV_FLAG, GET_ENV_INT, GET_ENV_REAL,\n & GET_ENVLIST, VALUE_NAME \n \n INTEGER, PARAMETER, PRIVATE :: LOGDEV = 6\n INTEGER, PARAMETER, PRIVATE :: MAX_LEN_WORD = 16\n \n CONTAINS\n\n SUBROUTINE VALUE_NAME( VAR_NAME, VAR_VALUE )\n IMPLICIT NONE\n CHARACTER*(*), INTENT( IN ) :: VAR_NAME\n CHARACTER*(*), INTENT( OUT ) :: VAR_VALUE\n\n INTEGER :: STATUS\n \n CALL GET_ENV_STRING( VAR_NAME, \" \", VAR_NAME, VAR_VALUE, STATUS )\n\n END SUBROUTINE VALUE_NAME\n SUBROUTINE GET_ENV_STRING( VAR_NAME, VAR_DESC, VAR_DEFAULT, VAR_VALUE, STATUS )\n IMPLICIT NONE\n!arguments\n CHARACTER*(*), INTENT( IN ) :: VAR_NAME\n CHARACTER*(*), INTENT( IN ) :: VAR_DESC\n CHARACTER*(*), INTENT( IN ) :: VAR_DEFAULT\n CHARACTER*(*), INTENT( OUT ) :: VAR_VALUE\n INTEGER, INTENT( OUT ) :: STATUS \n!local\n CHARACTER( 586 ) :: MSG ! Message text\n\n CALL GET_ENVIRONMENT_VARIABLE( NAME=VAR_NAME, VALUE= VAR_VALUE, STATUS=STATUS, TRIM_NAME=.TRUE.)\n\n IF( STATUS .LT. 0 ) THEN\n MSG = 'ERROR in environment value for ' // TRIM( VAR_NAME )\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n ELSE IF( STATUS .EQ. 1 )THEN\n STATUS = -1\n VAR_VALUE = TRIM( VAR_DEFAULT ) \n ELSE IF( STATUS .GT. 1 )THEN\n STATUS = 1\n MSG = 'ERROR in environment value for ' // TRIM( VAR_NAME )\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n MSG = 'ERROR Processor does not support environment variables '\n WRITE(LOGDEV,'(a)')\n END IF\n IF( STATUS .EQ. 0 )THEN\n MSG = ' Value for ' // TRIM( VAR_NAME ) // ': ' // TRIM( VAR_VALUE )\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n END IF\n\n END SUBROUTINE GET_ENV_STRING\n LOGICAL FUNCTION GET_ENV_FLAG( VAR_NAME, VAR_DESC, VAR_DEFAULT, STATUS )\n IMPLICIT NONE\n!arguments\n CHARACTER*(*), INTENT( IN ) :: VAR_NAME\n CHARACTER*(*), INTENT( IN ) :: VAR_DESC\n LOGICAL, INTENT( IN ) :: VAR_DEFAULT\n INTEGER, INTENT( OUT ) :: STATUS \n!local\n CHARACTER( 586 ) :: MSG ! Message text\n CHARACTER( 1 ) :: VAR_VALUE\n CHARACTER( 5 ) :: REPLY\n\n CALL GET_ENVIRONMENT_VARIABLE( NAME=VAR_NAME, VALUE= VAR_VALUE, STATUS=STATUS, TRIM_NAME=.TRUE.)\n\n IF( STATUS .LT. 0 ) THEN\n MSG = 'ERROR in environment value for ' // TRIM( VAR_NAME )\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n STATUS = 1\n ELSE IF( STATUS .EQ. 1 )THEN\n STATUS = -1\n GET_ENV_FLAG = VAR_DEFAULT\n WRITE(LOGDEV,' (A,L)')'Environment Variable '\n & // TRIM( VAR_NAME ) // ' missing.'\n & // ' Using default value of ',VAR_DEFAULT\n STATUS = -1\n ELSE IF( STATUS .GT. 1 )THEN\n STATUS = 1\n MSG = 'ERROR in environment value for ' // TRIM( VAR_NAME )\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n MSG = 'ERROR Processor does not support environment variables '\n WRITE(LOGDEV,'(a)')\n ELSE\n STATUS = 0 \n IF( VAR_VALUE(1:1) .EQ. 'T' .OR. VAR_VALUE(1:1) .EQ. 'Y' )THEN\n GET_ENV_FLAG = .TRUE.\n ELSE IF( VAR_VALUE(1:1) .EQ. 't' .OR. VAR_VALUE(1:1) .EQ. 'y' )THEN\n GET_ENV_FLAG = .TRUE.\n ELSE IF( VAR_VALUE(1:1) .EQ. 'F' .OR. VAR_VALUE(1:1) .EQ. 'N' )THEN\n GET_ENV_FLAG = .FALSE.\n ELSE IF( VAR_VALUE(1:1) .EQ. 'f' .OR. VAR_VALUE(1:1) .EQ. 'n' )THEN\n GET_ENV_FLAG = .FALSE.\n ELSE \n WRITE(LOGDEV,' (A,L)')'Environment Variable '\n & // TRIM( VAR_NAME ) // ' must equal T, Y, F, or N.'\n & // ' Using default value of ',VAR_DEFAULT\n STATUS = -1\n GET_ENV_FLAG = VAR_DEFAULT\n END IF\n END IF\n IF( STATUS .EQ. 0 )THEN\n IF( GET_ENV_FLAG )THEN\n REPLY = 'TRUE '\n ELSE\n REPLY = 'FALSE'\n END IF\n WRITE(MSG,'(a,L1,a)')' Value for ' // TRIM( VAR_NAME ) // ': ',GET_ENV_FLAG,\n & ' returning ' // REPLY\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n END IF \n\n END FUNCTION GET_ENV_FLAG\n INTEGER FUNCTION GET_ENV_INT( VAR_NAME, VAR_DESC, VAR_DEFAULT, STATUS )\n IMPLICIT NONE\n!arguments\n CHARACTER*(*), INTENT( IN ) :: VAR_NAME\n CHARACTER*(*), INTENT( IN ) :: VAR_DESC\n INTEGER, INTENT( IN ) :: VAR_DEFAULT\n INTEGER, INTENT( OUT ) :: STATUS \n!local\n CHARACTER( 120 ) :: MSG ! Message text\n CHARACTER( 120 ) :: VAR_VALUE\n CHARACTER( 5 ) :: REPLY\n \n INTEGER :: READ_VALUE\n\n CALL GET_ENVIRONMENT_VARIABLE( NAME=VAR_NAME, VALUE= VAR_VALUE, STATUS=STATUS, TRIM_NAME=.TRUE.)\n\n IF( STATUS .LT. 0 ) THEN\n MSG = 'ERROR in environment value for ' // TRIM( VAR_NAME )\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n STATUS = 1\n ELSE IF( STATUS .EQ. 1 )THEN\n STATUS = -1\n GET_ENV_INT = VAR_DEFAULT\n WRITE(LOGDEV,' (A,I8)')'Environment Variable '\n & // TRIM( VAR_NAME ) // ' missing.'\n & // ' Using default value of ',VAR_DEFAULT\n ELSE IF( STATUS .GT. 1 )THEN\n STATUS = 1\n MSG = 'ERROR in environment value for ' // TRIM( VAR_NAME )\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n MSG = 'ERROR Processor does not support environment variables '\n WRITE(LOGDEV,'(a)')\n ELSE\n STATUS = 0 \n READ(VAR_VALUE , *)READ_VALUE\n GET_ENV_INT = READ_VALUE\n WRITE(MSG,'(a,I8)')' Value for ' // TRIM( VAR_NAME ) // ': ',\n & GET_ENV_INT\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n END IF\n\n END FUNCTION GET_ENV_INT\n REAL FUNCTION GET_ENV_REAL( VAR_NAME, VAR_DESC, VAR_DEFAULT, STATUS )\n IMPLICIT NONE\n!arguments\n CHARACTER*(*), INTENT( IN ) :: VAR_NAME\n CHARACTER*(*), INTENT( IN ) :: VAR_DESC\n REAL, INTENT( IN ) :: VAR_DEFAULT\n INTEGER, INTENT( OUT ) :: STATUS \n!local\n CHARACTER( 120 ) :: MSG ! Message text\n CHARACTER( 120 ) :: VAR_VALUE\n CHARACTER( 5 ) :: REPLY\n\n CALL GET_ENVIRONMENT_VARIABLE( NAME=VAR_NAME, VALUE= VAR_VALUE, STATUS=STATUS, TRIM_NAME=.TRUE.)\n\n IF( STATUS .LT. 0 ) THEN\n MSG = 'ERROR in environment value for ' // TRIM( VAR_NAME )\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n STATUS = 1\n ELSE IF( STATUS .EQ. 1 )THEN\n STATUS = -1\n GET_ENV_REAL = VAR_DEFAULT\n WRITE(LOGDEV,' (A,ES13.6)')'Environment Variable '\n & // TRIM( VAR_NAME ) // ' missing.'\n & // ' Using default value of ',VAR_DEFAULT\n ELSE IF( STATUS .GT. 1 )THEN\n STATUS = 1\n MSG = 'ERROR in environment value for ' // TRIM( VAR_NAME )\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n MSG = 'ERROR Processor does not support environment variables '\n WRITE(LOGDEV,'(a)')\n ELSE\n STATUS = 0 \n READ(VAR_VALUE,*)GET_ENV_REAL\n WRITE(MSG,'(a,ES12.4)')' Value for ' // TRIM( VAR_NAME ) // ': ',\n & GET_ENV_REAL\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n END IF\n\n END FUNCTION GET_ENV_REAL\n SUBROUTINE GET_DDMONYY(DATE)\n\n IMPLICIT NONE\n CHARACTER(*), INTENT(INOUT) :: DATE\n\n CHARACTER( 2 ) :: DD\n CHARACTER( 3 ) :: MONS(1:12)\n CHARACTER( 4 ) :: YYYY\n INTEGER :: STIME, VALUES(8)\n\n MONS = (/'Jan','Feb','Mar','Apr','May','Jun',\n & 'Jul','Aug','Sep','Oct','Nov','Dec' /)\n\n CALL DATE_AND_TIME(VALUES=VALUES)\n\n WRITE( DD,'(I2)') VALUES(3)\n! DD = '00' \n WRITE(YYYY,'(I4)') (0 + VALUES(1))\n\n PRINT*,MONS(VALUES(2)) // DD // YYYY(1:4) \n DATE = MONS(VALUES(2)) // ' ' // DD // ', ' // YYYY(1:4)\n\n END SUBROUTINE GET_DDMONYY\n INTEGER FUNCTION NAME_INDEX( NAME, N_NAMES, NAMES )\n IMPLICIT NONE\n \n CHARACTER(*), INTENT( IN ) :: NAME\n CHARACTER(*), INTENT( IN ) :: NAMES( : )\n INTEGER, INTENT( IN ) :: N_NAMES\n\n INTEGER :: N,M\n\n NAME_INDEX = 0\n\n M = SIZE( NAMES )\n IF( M .LT. 1 )RETURN\n\n DO N = 1, M\n IF( NAME .EQ. NAMES( N ) )THEN\n NAME_INDEX = N\n RETURN\n END IF\n END DO\n RETURN\n END FUNCTION NAME_INDEX\n SUBROUTINE GET_ENVLIST ( ENV_VAR, NVARS, VAL_LIST, STATUS )\n\nC get a list env var (quoted string of items delimited by white space,\nC commas or semi-colons) and parse out the items into variables. Two data\nC types: character strings and integers (still represented as strings in\nC the env var vaules).\nC Examples:\nC 1) setenv AVG_CONC_VARS \"O3 NO NO2\"\nC 2) setenv AVG_CONC_LAYS \"2 5\" < start at two, end at 5\nC 3) setenv NPCOLSXNPROWS \"4 3\"\nC 4) setenv BCOL_ECOL \"3 8\"\nC 5) setenv BROW_EROW \"2 10\"\nC 6) setenv BLAY_ELAY \"1 5\"\n\nC In example (1), not only parse out the named items \"O3\", \"NO\" and \"NO2\",\nC but also obtain the count on the number of itmes (=3).\n\n! Revision: 2013/02/11 David Wong: increased the max env var length from 256 to 1000\n! 13 Dec 2013 J.Young: 1000 breaks BUFLEN in IOAPI's envgets.c. Change to 512.\n! 17 Jun 2016 J.Young: IOAPI's envgets.c BUFLEN has been increased to 10000.\n! 20 Jun 2016 J.Young: Forget IOAPI's envgets.c: use Fortran GETENV\n! 16 Mar 2018 B.Hutzell: Removed IOAPI, changed from GOTO to Do loop, and \n! from GETENV to GET_ENVIRONMENT_VARIABLE intrinsic\n IMPLICIT NONE\n \n CHARACTER( * ), INTENT ( IN ) :: ENV_VAR\n INTEGER, INTENT ( OUT ) :: NVARS\n CHARACTER( * ), INTENT ( OUT ) :: VAL_LIST( : )\n INTEGER, INTENT ( OUT ) :: STATUS \n \n INTEGER :: MAX_LEN \n INTEGER :: LEN_EVAL\n CHARACTER( 16 ) :: PNAME = 'GET_ENVLIST'\n CHARACTER( 1 ) :: CHR\n CHARACTER( 132) :: XMSG\n\n CHARACTER( MAX_LEN_WORD*SIZE( VAL_LIST ) ) :: E_VAL\n \n INTEGER :: JP( MAX_LEN_WORD*SIZE( VAL_LIST ) ) \n INTEGER :: KP( MAX_LEN_WORD*SIZE( VAL_LIST ) ) \n INTEGER :: IP, V\n \n MAX_LEN = MAX_LEN_WORD * ( SIZE( VAL_LIST ) + 1 ) ! multiple by 17 to allow deliminator\nC env_var_name\nC | env_var_value\nC | |\n! CALL GETENV( ENV_VAR, E_VAL )\nC env_var_name\nC | env_var_value\nC | |\n CALL GET_ENVIRONMENT_VARIABLE( NAME=ENV_VAR, VALUE=E_VAL, STATUS=STATUS, TRIM_NAME=.TRUE.)\n IF( STATUS .LT. 0 ) THEN\n XMSG = 'ERROR in environment value for ' // TRIM( ENV_VAR )\n WRITE(LOGDEV,'(a)')TRIM( XMSG )\n STATUS = 1\n STOP \n ELSE IF( STATUS .EQ. 1 )THEN\n STATUS = -1\n RETURN\n ELSE IF( STATUS .GT. 1 )THEN\n STATUS = 1\n XMSG = 'ERROR in environment value for ' // TRIM( ENV_VAR )\n WRITE(LOGDEV,'(a)')TRIM( XMSG )\n XMSG = 'ERROR Processor does not support environment variables '\n WRITE(LOGDEV,'(a)')\n STOP\n END IF\n \n IF ( E_VAL .EQ. \" \" ) THEN\n STATUS = 1\n XMSG = 'Environment variable ' // ENV_VAR // ' not set'\n WRITE(LOGDEV,'(A,I8)')TRIM( XMSG ), SIZE( VAL_LIST )\n NVARS = 0\n RETURN\n END IF\n STATUS = 0\n\nC Parse:\n\n NVARS = 0\n\nC don't count until 1st char in string\n \n IP = 0\n KP = 1\n JP = 1\n LEN_EVAL = LEN_TRIM( E_VAL ) \n IF ( LEN_EVAL .GT. MAX_LEN ) THEN\n XMSG = TRIM( PNAME ) // ': The Environment variable, '\n & // TRIM( ENV_VAR ) // ', has too long, greater than ' \n WRITE(LOGDEV,'(A,I8)')TRIM( XMSG ), MAX_LEN\n STOP\n END IF\n101 LOOP_101: DO ! read list\n IP = IP + 1\n IF ( IP .GT. LEN_EVAL ) EXIT LOOP_101\n CHR = E_VAL( IP:IP )\n IF ( CHR .EQ. ' ' .OR. ICHAR ( CHR ) .EQ. 09 ) CYCLE LOOP_101\n IF( NVARS .GT. SIZE( VAL_LIST ) )THEN\n XMSG = TRIM( PNAME ) // ':ERROR: Number of values in List, ' \n & // TRIM( ENV_VAR ) \n & // ', greater than the size of its storage array, '\n WRITE(LOGDEV,'(A,I4)')TRIM( XMSG ), SIZE( VAL_LIST )\n STOP \n END IF\n NVARS = NVARS + 1\n JP( NVARS ) = IP ! 1st char\n IF( IP .EQ. LEN_EVAL )THEN ! word one character long \n KP( NVARS ) = IP\n V = 1\n EXIT LOOP_101\n END IF \n201 LOOP_201: DO ! read word\n IP = IP + 1\n CHR = E_VAL( IP:IP )\n IF ( CHR .NE. ' ' .AND.\n & CHR .NE. ',' .AND.\n & CHR .NE. ';' .OR.\n & ICHAR ( CHR ) .EQ. 09 ) THEN ! 09 = horizontal tab\n CYCLE LOOP_201\n ELSE ! last char in word\n KP( NVARS ) = IP - 1 \n V = JP( NVARS ) - IP\n IF( V .GT. MAX_LEN_WORD )THEN\n XMSG = 'The word, ' // E_VAL( JP(NVARS):KP(NVARS) ) \n & // ', in environment list, ' // TRIM( ENV_VAR )\n & // ', is too long, '\n WRITE(LOGDEV,'(A,1X,I2,A,I2)')TRIM( XMSG ), V, ' max allowed ',\n & MAX_LEN_WORD\n STOP \n END IF\n EXIT LOOP_201\n END IF \n IF ( IP .GE. LEN_EVAL ) EXIT LOOP_101\n END DO LOOP_201\n END DO LOOP_101\n \n IF( NVARS .GT. SIZE( VAL_LIST ) )THEN\n XMSG = TRIM( PNAME ) // ':ERROR: Number of values in List, ' \n & // TRIM( ENV_VAR ) // ', greater than '\n WRITE(LOGDEV,'(A,I4)')TRIM( XMSG ), SIZE( VAL_LIST )\n STOP \n END IF\n DO V = 1, NVARS\n VAL_LIST( V ) = E_VAL( JP( V ):KP( V ) )\n END DO\n\n RETURN \n END SUBROUTINE GET_ENVLIST \n END MODULE GET_ENV_VARS\n" }, { "path": "UTIL/inline_phot_preproc/src/old-dumb.makefile", "content": " BASE = ../CSQY_TABLE_PROCESSOR\n MODEL = $(BASE)_$(APPL)\n\n#FC = /share/linux9.0/pgi/linux86/6.0/bin/pgf90\n#CC = cc\n#CPLUS = C++\n#FPP = /share/linux9.0/pgi/linux86/6.0/bin/pgf90\n\n#F_FLAGS = -Mfixed -Mextend -O2 -module /home/hutzellb/cmaq_toxics/releases_2010/MOD_DIR-v47-par -I. \n#C_FLAGS = -v -O2 -I/share/linux9.0/mpich-1.2.7p1/include\n#LINK_FLAGS = -Bstatic\n\n\nFC = $(myFC)\nCC = $(myCC)\nFPP = $FC\n\n lib_path = $(lib_basedir)/${system}/${compiler}\n\n DEGUB = -CB -CU -traceback\n#DEBUG = -Mbounds -Mchkptr -Mchkstk\n#DEBUG = \n\n#F_FLAGS = $(myFFLAGS) $(DEBUG) -I $(lib_path)/se_snl -I $(lib_path)/mpich/include -I .\n# F_FLAGS = $(myFFLAGS) -CB -CU -traceback -I $(lib_path)/se_snl -I $(lib_path)/mpich/include -I .\n F_FLAGS = $(myFFLAGS) -CB -CU -traceback -I .\n# C_FLAGS = $(myCFLAGS) -I $(MPI_INC)\n C_FLAGS = $(myCFLAGS) \n LINK_FLAGS = $(myLINK_FLAG)\n\n CPP_FLAGS = \n\n# x86 pgf90\n#SE_SNL = -L/home/hutzellb/cmaq_toxics/tools/stenex_v4.6/Linux -lse_snl \n#PARIO = -L/home/hutzellb/cmaq_toxics/tools/pario-v4.6/Linux -lpario \n#MPICH = -L/share/linux9.0/mpich-1.2.7p1/lib -lmpich \n#IOAPI = -L/home/hutzellb/cmaq_toxics/tools/ioapi-3.1/pg -lioapi \n#NETCDF = -L/share/linux9.0/netcdf-3.6.0/lib -lnetcdf\n#LIBRARIES = $(SE_SNL) $(PARIO) $(MPICH) $(IOAPI) $(NETCDF)\n\n\n#GC_INC = /home/hwo/CCTM_git_repository/MECHS/racm2_ae6_aq\n MECH_INC = $(GC_INC)\n TRAC_INC = $(GC_INC)\n PROCAN_INC = $(GC_INC)\n\n LIBRARIES = \\\n -L$(lib_path)/ioapi_3/$(LIOAPI) -lioapi \\\n\n IOAPI_INC = $(lib_path)/ioapi_3/ioapi/fixed_src\n MPI_INC = $(lib_path)/mpich/include\n\n INCLUDES = \\\n -DSUBST_RXCMMN=\\\"$(MECH_INC)/RXCM.EXT\\\" \\\n -DSUBST_RXDATA=\\\"$(MECH_INC)/RXDT.EXT\\\" \n\n# create_module.o \\\n# wrt_csqy_data.o \\\n\n OBJECTS =\\\n BIN_DATA.o \\\n CSQY_PARAMETERS.o \\\n ALBEDO_REFER_DATA.o \\\n CSQY_REFER_DATA.o \\\n driver.o \\\n intavg_b.o \\\n intavg_c.o \\\n intavg.o \\\n wrt_csqy_data_only.o \\\n wrt_optics_data.o \\\n optics_water_cloud.o \\\n optics_ice_cloud.o \\\n aero_refract_index.o \\\n process_csqys.o \\\n spectral_reflect.o \\\n wvbin_average-b.o \\\n wvbin_average.o \\\n xc_qy_td_effect.o \\\n convert_case.o \\\n nameval.o\n \n# wrbf12d.o \\\n# wrbf12d_w_headerb.o \\\n\n.SUFFIXES: .F .f .c\n\n$(MODEL): $(OBJECTS)\n\t$(FC) $(LINK_FLAGS) $(OBJECTS) $(LIBRARIES) -o $@\n\n.F.o:\n\t$(FC) -c $(F_FLAGS) $(CPP_FLAGS) $(INCLUDES) $<\n\n.f.o:\n\t$(FC) $(F_FLAGS) -c $<\n\n\n.c.o:\n\t$(CC) $(C_FLAGS) -c $<\n\nclean:\n\trm -f $(OBJECTS) $(BASE)_* *.mod\n \n" }, { "path": "UTIL/inline_phot_preproc/src/old.Makefile", "content": "#MODEL = CSQY_TABLETABLE_PROCESSOR_cb05cl-si\n#MODEL = JTABLE_PROCESSOR_s07tb-smodel\n#APPL = AE-REFRACT\n MODEL = ../CSQY_TABLE_PROCESSOR_$(APPL)\n\n#FC = /share/linux9.0/pgi/linux86/6.0/bin/pgf90\n#CC = cc\n#CPLUS = C++\n#FPP = /share/linux9.0/pgi/linux86/6.0/bin/pgf90\n\n#F_FLAGS = -Mfixed -Mextend -O2 -module /home/hutzellb/cmaq_toxics/releases_2010/MOD_DIR-v47-par -I. \n#C_FLAGS = -v -O2 -I/share/linux9.0/mpich-1.2.7p1/include\n#LINK_FLAGS = -Bstatic\n\n\nFC = $(myFC)\nCC = $(myCC)\nFPP = $FC\n\n lib_path = $(lib_basedir)/${system}/${compiler}\n\n DEGUB = -CB -CU -traceback\n#DEBUG = -Mbounds -Mchkptr -Mchkstk\n#DEBUG = \n\n#F_FLAGS = $(myFFLAGS) $(DEBUG) -I $(lib_path)/se_snl -I $(lib_path)/mpich/include -I .\n# F_FLAGS = $(myFFLAGS) -CB -CU -traceback -I $(lib_path)/se_snl -I $(lib_path)/mpich/include -I .\n F_FLAGS = $(myFFLAGS) -CB -CU -traceback -I .\n# C_FLAGS = $(myCFLAGS) -I $(MPI_INC)\n C_FLAGS = $(myCFLAGS) \n LINK_FLAGS = $(myLINK_FLAG)\n\n CPP_FLAGS = \n\n# x86 pgf90\n#SE_SNL = -L/home/hutzellb/cmaq_toxics/tools/stenex_v4.6/Linux -lse_snl \n#PARIO = -L/home/hutzellb/cmaq_toxics/tools/pario-v4.6/Linux -lpario \n#MPICH = -L/share/linux9.0/mpich-1.2.7p1/lib -lmpich \n#IOAPI = -L/home/hutzellb/cmaq_toxics/tools/ioapi-3.1/pg -lioapi \n#NETCDF = -L/share/linux9.0/netcdf-3.6.0/lib -lnetcdf\n#LIBRARIES = $(SE_SNL) $(PARIO) $(MPICH) $(IOAPI) $(NETCDF)\n\n\n BASE_INC = /project/work/rep/include/release\n#IOAPI_INC = /home/hutzellb/cmaq_toxics/tools/ioapi-3.1/fixed_src\n# GC_INC = /home/hutzellb/cmaq_toxics/tools/mech_processor/saprc99tx3_ae5_aq\n#GC_INC = /home/hutzellb/cmaq_toxics/tools/mech_processor/SAPRC07TB_AE5_AQ-Jan_2010_Not_SS-no_NO2EX\n#GC_INC = /home/hutzellb/cmaq_toxics/tools/mech_processor/SAPRC07TC_AE5_AQ-Jan_2010_Not_SS-no_NO2EX\n#GC_INC = /home/hutzellb/cmaq_toxics/releases_2010/new_arc_mechanisms/saprc99tx3_ae5_aq\n#GC_INC = /home/hutzellb/cmaq_toxics/releases_2010/new_arc_mechanisms/saprc07tb_ae5_aq\n#GC_INC = /home/hutzellb/cmaq_toxics/releases_2010/new_arc_mechanisms/cb05cl_ae5_aq\n#GC_INC = \n MECH_INC = $(GC_INC)\n TRAC_INC = $(GC_INC)\n PROCAN_INC = $(GC_INC)\n#MPI_INC = /share/linux9.0/mpich-1.2.7p1/include\n\n LIBRARIES = \\\n -L$(lib_path)/ioapi_3/$(LIOAPI) -lioapi \\\n\n IOAPI_INC = $(lib_path)/ioapi_3/ioapi/fixed_src\n MPI_INC = $(lib_path)/mpich/include\n\n INCLUDES = \\\n -DSUBST_RXCMMN=\\\"$(MECH_INC)/RXCM.EXT\\\" \\\n -DSUBST_RXDATA=\\\"$(MECH_INC)/RXDT.EXT\\\" \n\n# create_module.o \\\n# wrt_csqy_data.o \\\n\n OBJECTS =\\\n BIN_DATA.o \\\n JPROC_PROFILE_nlcd-2006.o \\\n JPROC_PHOT_DATA.o \\\n driver.o \\\n intavg_b.o \\\n intavg_c.o \\\n intavg.o \\\n wrt_csqy_data.o \\\n optics_water_cloud.o \\\n aero_refract_index.o \\\n process_csqys.o \\\n spectral_reflect.o \\\n wvbin_average-b.o \\\n wvbin_average.o \\\n xc_qy_td_effect_v3.o \\\n convert_case.o \\\n nameval.o\n \n# wrbf12d.o \\\n# wrbf12d_w_headerb.o \\\n\n.SUFFIXES: .F .f .c\n\n$(MODEL): $(OBJECTS)\n\t$(FC) $(LINK_FLAGS) $(OBJECTS) $(LIBRARIES) -o $@\n\n.F.o:\n\t$(FC) -c $(F_FLAGS) $(CPP_FLAGS) $(INCLUDES) $<\n\n.f.o:\n\t$(FC) $(F_FLAGS) -c $<\n\n\n.c.o:\n\t$(CC) $(C_FLAGS) -c $<\n\nclean:\n\trm -f $(OBJECTS) $(MODEL)\n \n" }, { "path": "UTIL/inline_phot_preproc/src/optics_ice_cloud.f", "content": " SUBROUTINE OPTICS_ICE_CLOUD(CLOUD_DIAMETER_ICE, ICE_EXT, ICE_ASY, ICE_SSA, ICE_DEL)\n\n USE GET_ENV_VARS\n USE BIN_DATA\n USE CSQY_PARAMETERS\n\n IMPLICIT NONE\n\n REAL, INTENT( IN ) :: CLOUD_DIAMETER_ICE ! effective ice droplet size or diameter, um\n REAL, INTENT( OUT ) :: ICE_EXT( : ) ! (cloud extinction coef)/IWC, 1/m*/(g/m**3)\n REAL, INTENT( OUT ) :: ICE_ASY( : ) ! cloud asymmetry factor\n REAL, INTENT( OUT ) :: ICE_SSA( : ) ! cloud coalbedo\n REAL, INTENT( OUT ) :: ICE_DEL( : ) ! Delta function transmission for \n ! Scattering at zero scattering angle\n\n INTEGER, PARAMETER :: IUNIT = 155\n INTEGER, PARAMETER :: DATA_UNIT = 156\n INTEGER, PARAMETER :: mxcof = 3\n INTEGER, PARAMETER :: mxsiz = 3\n INTEGER, PARAMETER :: mxwvwc = 74\n\n INTEGER icof, isize, ivwc, lc, nlyr, nstring\n INTEGER wclyr\n LOGICAL, SAVE :: FIRST = .TRUE.\n LOGICAL :: FIRST_LINE, NEWSIZ\n LOGICAL, SAVE :: READ_DATA = .FALSE.\n LOGICAL, SAVE :: WRITE_DATA = .FALSE.\n\n REAL( 8 ) :: WREXT_COEFFS( MXWVWC )\n\n REAL, ALLOCATABLE, SAVE :: CLOUD_ICE_EXT( : ), CLOUD_ICE_SSA( : ), CLOUD_ICE_ASY( : ) ,\n & CLOUD_ICE_DEL( : )\n\n INTEGER, SAVE :: INTERVALS_EXT\n REAL, ALLOCATABLE, SAVE :: WVL_EXT_LOWER( : ), WVL_EXT_UPPER( : ), WVL_EXT( : )\n REAL, ALLOCATABLE, SAVE :: A0_EXT( : ), A1_EXT( : )\n\n INTEGER, SAVE :: INTERVALS_ASY\n REAL, ALLOCATABLE, SAVE :: WVL_ASY_LOWER( : ), WVL_ASY_UPPER( : ), WVL_ASY( : )\n REAL, ALLOCATABLE, SAVE :: C0_ASY( : ), C1_ASY( : ), C2_ASY( : ), C3_ASY( : )\n\n INTEGER, SAVE :: INTERVALS_SSA\n REAL, ALLOCATABLE, SAVE :: WVL_SSA_LOWER( : ), WVL_SSA_UPPER( : ), WVL_SSA( : )\n REAL, ALLOCATABLE, SAVE :: B0_SSA( : ), B1_SSA( : ), B2_SSA( : ), B3_SSA( : )\n\n INTEGER, SAVE :: INTERVALS_DEL\n REAL, ALLOCATABLE, SAVE :: WVL_DEL_LOWER( : ), WVL_DEL_UPPER( : ), WVL_DEL( : )\n REAL, ALLOCATABLE, SAVE :: B0_DEL( : ), B1_DEL( : ), B2_DEL( : ), B3_DEL( : )\n\n INTEGER, SAVE :: I_CUTTOFF_EXT\n INTEGER, SAVE :: I_CUTTOFF_ASY\n INTEGER, SAVE :: I_CUTTOFF_SSA\n INTEGER, SAVE :: I_CUTTOFF_DEL\n\n CHARACTER(100) :: CHAR\n CHARACTER(19) :: FILENM ! No. of characters must equal\n ! length of filename.\n\n CHARACTER(586) :: FULLNAME, LINE\n\n REAL :: DIAMETER_SQUARED, DIAMETER_CUBED, INVERSE_DIAMETER\n\n REAL AVG1, AVG2, REFF_AVG1, REFF_AVG2\n\n REAL, ALLOCATABLE, SAVE :: WAVE( : ), XDUMB( : ), YDUMB( : ), ZDUMB( : )\n REAL :: FACTOR\n INTEGER :: NDUMB\n REAL, ALLOCATABLE, SAVE :: WAVE_OUTL( : ), WAVE_OUTU( : ), WAVE_OUTC( : )\n\n REAL, ALLOCATABLE, SAVE :: NEW_CL_ASY(:, :, :), NEW_CL_EXT(:, :, :),\n & NEW_CL_SSA(:, :, :)\n \n INTEGER :: I, J, K\n INTEGER :: POUND_COUNT\n\n\n INTERFACE\n SUBROUTINE WVBIN_AVERAGE(WL_CS_IN, CS_IN, NWL_CS_IN, \n & WL_QY_IN, QY_IN, NWL_QY_IN, \n & SPECTRA_TYPE,\n & WLL_AVE, WLU_AVE, NWL_AVE, \n & CS_AVE, QY_AVE )\n CHARACTER(1), INTENT( IN ) :: SPECTRA_TYPE ! spectra type\n INTEGER, INTENT( IN ) :: NWL_AVE ! number of intervals average \n INTEGER, INTENT( IN ) :: NWL_CS_IN ! number of intervals CS_IN\n INTEGER, INTENT( IN ) :: NWL_QY_IN ! number of intervals CS_IN\n REAL, INTENT( IN ) :: WL_CS_IN( : ) ! wl for CS_IN\n REAL, INTENT( IN ) :: WL_QY_IN( : ) ! wl for QY_IN\n REAL, INTENT( IN ) :: CS_IN( : ) ! cross-section as f(WLIN)\n REAL, INTENT( IN ) :: QY_IN( : ) ! quantum yield as f(WLIN)\n REAL, INTENT( INOUT ) :: WLL_AVE( : ) ! lower limit on wl effective interval\n REAL, INTENT( INOUT ) :: WLU_AVE( : ) ! upper limit on wl effective interval\n REAL, INTENT( INOUT ) :: CS_AVE( : ) ! cross-section as f(WL_AVE)\n REAL, INTENT( INOUT ) :: QY_AVE( : ) ! quantum yield as f(WL_AVE)\n END SUBROUTINE WVBIN_AVERAGE\n SUBROUTINE WVBIN_AVERAGE_B(WL_CS_IN, CS_IN, NWL_CS_IN, \n\n & WL_QY_IN, QY_IN, NWL_QY_IN, \n & SPECTRA_TYPE,\n & WLL_AVE, WLU_AVE, NWL_AVE, \n & CS_AVE, QY_AVE )\n CHARACTER(1), INTENT( IN ) :: SPECTRA_TYPE ! spectra type\n INTEGER, INTENT( IN ) :: NWL_AVE ! number of intervals average \n INTEGER, INTENT( IN ) :: NWL_CS_IN ! number of intervals CS_IN\n INTEGER, INTENT( IN ) :: NWL_QY_IN ! number of intervals CS_IN\n REAL, INTENT( IN ) :: WL_CS_IN( : ) ! wl for CS_IN\n REAL, INTENT( IN ) :: WL_QY_IN( : ) ! wl for QY_IN\n REAL, INTENT( IN ) :: CS_IN( : ) ! cross-section as f(WLIN)\n REAL, INTENT( IN ) :: QY_IN( : ) ! quantum yield as f(WLIN)\n REAL, INTENT( INOUT ) :: WLL_AVE( : ) ! lower limit on wl effective interval\n REAL, INTENT( INOUT ) :: WLU_AVE( : ) ! upper limit on wl effective interval\n REAL, INTENT( INOUT ) :: CS_AVE( : ) ! cross-section as f(WL_AVE)\n REAL, INTENT( INOUT ) :: QY_AVE( : ) ! quantum yield as f(WL_AVE)\n END SUBROUTINE WVBIN_AVERAGE_B\n END INTERFACE \n\n IF ( FIRST ) THEN\n\n FIRST = .FALSE.\n\nC Read in ice particle optical parameters.\n \n ALLOCATE( WAVE( MXWLIN ), XDUMB( MXWLIN ), ZDUMB( MXWLIN ), \n & YDUMB( MXWLIN) )\n\n ALLOCATE( WAVE_OUTC( MXWLIN ), WAVE_OUTL( MXWLIN ), WAVE_OUTU( MXWLIN ))\n \n \n! filenm = 'ice_clouds/fu96.ext'\n! fullname = filenm\n filenm = 'ICE_CLD_EXT'\n CALL VALUE_NAME( filenm, fullname ) \n OPEN(UNIT=iunit,FILE=fullname,FORM='FORMATTED',STATUS='OLD',ERR=99)\n POUND_COUNT = 0\n CHAR(1:1) = '#'\n DO WHILE( CHAR(1:1) .EQ. '#' )\n READ(IUNIT,'(A)',ERR=99) CHAR\n POUND_COUNT = POUND_COUNT + 1\n! PRINT*,TRIM(CHAR)\n END DO\n POUND_COUNT = POUND_COUNT - 1\n INTERVALS_EXT = 0\n DO \n INTERVALS_EXT = INTERVALS_EXT + 1\n READ(iunit,'(A)',ERR=99, END = 101 ) CHAR\n! PRINT*,TRIM(CHAR)\n END DO\n101 REWIND(IUNIT)\n\n ALLOCATE( WVL_EXT_LOWER( INTERVALS_EXT ), WVL_EXT_UPPER( INTERVALS_EXT ),\n & A0_EXT( INTERVALS_EXT ), A1_EXT( INTERVALS_EXT ) )\n\n ALLOCATE( WVL_EXT( INTERVALS_EXT ), CLOUD_ICE_EXT( INTERVALS_EXT ) )\n\n DO I = 1, POUND_COUNT\n READ(IUNIT,'(A)',ERR=99)CHAR\n END DO\n \n DO I = 1, INTERVALS_EXT\n READ(IUNIT,*)WVL_EXT_LOWER( I ), WVL_EXT_UPPER( I ), A0_EXT( I ), A1_EXT( I )\n WVL_EXT( I ) = WVL_EXT_UPPER( I ) + 0.5 * (WVL_EXT_LOWER( I ) - WVL_EXT_UPPER( I ))\n END DO\n\n CLOSE( IUNIT )\n \n! filenm = 'ice_clouds/fu96.asy'\n filenm = 'ICE_CLD_ASY'\n fullname = filenm\n CALL VALUE_NAME( filenm, fullname ) \n OPEN(UNIT=iunit,FILE=fullname,FORM='FORMATTED',STATUS='OLD',ERR=99)\n POUND_COUNT = 0\n CHAR(1:1) = '#'\n DO WHILE( CHAR(1:1) .EQ. '#' )\n READ(IUNIT,'(A)',ERR=99) CHAR\n POUND_COUNT = POUND_COUNT + 1\n! PRINT*,TRIM(CHAR)\n END DO\n POUND_COUNT = POUND_COUNT - 1\n INTERVALS_ASY = 0\n DO \n INTERVALS_ASY = INTERVALS_ASY + 1\n READ(iunit,'(A)',ERR=99, END = 201 ) CHAR\n! PRINT*,TRIM(CHAR)\n END DO\n201 REWIND(IUNIT)\n\n ALLOCATE( WVL_ASY_LOWER( INTERVALS_ASY ), WVL_ASY_UPPER( INTERVALS_ASY ),\n & C0_ASY( INTERVALS_ASY ), C1_ASY( INTERVALS_ASY ), \n & C2_ASY( INTERVALS_ASY ), C3_ASY( INTERVALS_ASY ) )\n\n ALLOCATE( WVL_ASY( INTERVALS_ASY ), CLOUD_ICE_ASY( INTERVALS_ASY ) )\n\n\n DO I = 1, POUND_COUNT\n READ(IUNIT,'(A)',ERR=99)CHAR\n END DO\n \n J = 0\n DO I = 1, INTERVALS_ASY\n READ(IUNIT,*)WVL_ASY_LOWER( I ), WVL_ASY_UPPER( I ), \n & C0_ASY( I ), C1_ASY( I ),\n & C2_ASY( I ), C3_ASY( I )\n WVL_ASY( I ) = WVL_ASY_UPPER( I ) + 0.5 * (WVL_ASY_LOWER( I ) - WVL_ASY_UPPER( I ))\n \n END DO\n\n CLOSE( IUNIT )\n\n! filenm = 'ice_clouds/fu96.ssa'\n! fullname = filenm\n filenm = 'ICE_CLD_SSA'\n CALL VALUE_NAME( filenm, fullname ) \n OPEN(UNIT=iunit,FILE=fullname,FORM='FORMATTED',STATUS='OLD',ERR=99)\n POUND_COUNT = 0\n CHAR(1:1) = '#'\n DO WHILE( CHAR(1:1) .EQ. '#' )\n READ(IUNIT,'(A)',ERR=99) CHAR\n POUND_COUNT = POUND_COUNT + 1\n! PRINT*,TRIM(CHAR)\n END DO\n POUND_COUNT = POUND_COUNT - 1\n INTERVALS_SSA = 0\n DO \n INTERVALS_SSA = INTERVALS_SSA + 1\n READ(iunit,'(A)',ERR=99, END = 301 ) CHAR\n! PRINT*,TRIM(CHAR)\n END DO\n301 REWIND(IUNIT)\n\n ALLOCATE( WVL_SSA_LOWER( INTERVALS_SSA ), WVL_SSA_UPPER( INTERVALS_SSA ),\n & B0_SSA( INTERVALS_SSA ), B1_SSA( INTERVALS_SSA ), \n & B2_SSA( INTERVALS_SSA ), B3_SSA( INTERVALS_SSA ) )\n\n DO I = 1, POUND_COUNT\n READ(IUNIT,'(A)',ERR=99)CHAR\n END DO\n\n ALLOCATE( WVL_SSA( INTERVALS_SSA ), CLOUD_ICE_SSA( INTERVALS_SSA ) )\n \n DO I = 1, INTERVALS_SSA\n READ(IUNIT,*)WVL_SSA_LOWER( I ), WVL_SSA_UPPER( I ), \n & B0_SSA( I ), B1_SSA( I ), \n & B2_SSA( I ), B3_SSA( I ) \n WVL_SSA( I ) = WVL_SSA_UPPER( I ) + 0.5 * (WVL_SSA_LOWER( I ) - WVL_SSA_UPPER( I ))\n END DO\n\n CLOSE( IUNIT )\n\n! filenm = 'ice_clouds/fu96.del'\n! fullname = filenm\n filenm = 'ICE_CLD_DEL'\n CALL VALUE_NAME( filenm, fullname ) \n OPEN(UNIT=iunit,FILE=fullname,FORM='FORMATTED',STATUS='OLD',ERR=99)\n POUND_COUNT = 0\n CHAR(1:1) = '#'\n DO WHILE( CHAR(1:1) .EQ. '#' )\n READ(IUNIT,'(A)',ERR=99) CHAR\n POUND_COUNT = POUND_COUNT + 1\n! PRINT*,TRIM(CHAR)\n END DO\n POUND_COUNT = POUND_COUNT - 1\n INTERVALS_DEL = 0\n DO \n INTERVALS_DEL = INTERVALS_DEL + 1\n READ(iunit,'(A)',ERR=99, END = 401 ) CHAR\n! PRINT*,TRIM(CHAR)\n END DO\n401 REWIND(IUNIT)\n\n ALLOCATE( WVL_DEL_LOWER( INTERVALS_DEL ), WVL_DEL_UPPER( INTERVALS_DEL ),\n & B0_DEL( INTERVALS_DEL ), B1_DEL( INTERVALS_DEL ), \n & B2_DEL( INTERVALS_DEL ), B3_DEL( INTERVALS_DEL ) )\n\n DO I = 1, POUND_COUNT\n READ(IUNIT,'(A)',ERR=99)CHAR\n END DO\n\n ALLOCATE( WVL_DEL( INTERVALS_DEL ), CLOUD_ICE_DEL( INTERVALS_DEL ) )\n \n DO I = 1, INTERVALS_DEL\n READ(IUNIT,*)WVL_DEL_LOWER( I ), WVL_DEL_UPPER( I ), \n & B0_DEL( I ), B1_DEL( I ), \n & B2_DEL( I ), B3_DEL( I ) \n WVL_DEL( I ) = WVL_DEL_UPPER( I ) + 0.5 * (WVL_DEL_LOWER( I ) - WVL_DEL_UPPER( I ))\n END DO\n\n DO I = NJO_NEW, 1, -1\n IF ( EFFECTIVE_LAMBDA(I) .LT. 1.0E+3*WVL_EXT( 1 ) )THEN\n I_CUTTOFF_EXT = I\n EXIT\n END IF\n END DO\n DO I = NJO_NEW, 1, -1\n IF ( EFFECTIVE_LAMBDA(I) .LT. 1.0E+3*WVL_ASY( 1 ) )THEN\n I_CUTTOFF_ASY = I\n EXIT\n END IF\n END DO\n DO I = NJO_NEW, 1, -1\n IF ( EFFECTIVE_LAMBDA(I) .LT. 1.0E+3*WVL_SSA( 1 ) )THEN\n I_CUTTOFF_SSA = I\n EXIT\n END IF\n END DO\n DO I = NJO_NEW, 1, -1\n IF ( EFFECTIVE_LAMBDA(I) .LT. 1.0E+3*WVL_DEL( 1 ) )THEN\n I_CUTTOFF_DEL = I\n EXIT\n END IF\n END DO\n\n CLOSE( IUNIT )\n\n\n ENDIF ! FIRST\n\n\n IF(CLOUD_DIAMETER_ICE .LT. 4.99 .OR. CLOUD_DIAMETER_ICE .GT. 140.01 )THEN\n WRITE(*,*)'Error, in ice cloud parameterization Fu et al. (1996)'\n WRITE(*,*)'ice droplet diameter = ', CLOUD_DIAMETER_ICE\n WRITE(*,*)'and is greater than 5.0 um or larger than 140.0 um. '\n STOP\n ENDIF\n \n DIAMETER_SQUARED = CLOUD_DIAMETER_ICE * CLOUD_DIAMETER_ICE\n DIAMETER_CUBED = DIAMETER_SQUARED * CLOUD_DIAMETER_ICE\n INVERSE_DIAMETER = 1.0 / CLOUD_DIAMETER_ICE\n\n DO I = 1, INTERVALS_EXT\nC Extinction coefficient\n CLOUD_ICE_EXT( I ) = A0_EXT( I ) + A1_EXT( I ) * INVERSE_DIAMETER\n WRITE(6,'(A,8(es12.4,1X))')'ICE_EXT: ',WVL_EXT(I),CLOUD_ICE_EXT( I ),A0_EXT( I ),A1_EXT( I ),\n & INVERSE_DIAMETER\n CLOUD_ICE_EXT( I ) = MAX(CLOUD_ICE_EXT( I ), 0.0)\n END DO\n\n DO I = 1, INTERVALS_ASY\nC Asymmetery coefficient\n CLOUD_ICE_ASY( I ) = C0_ASY( I ) \n & + C1_ASY( I ) * CLOUD_DIAMETER_ICE\n & + C2_ASY( I ) * DIAMETER_SQUARED\n & + C3_ASY( I ) * DIAMETER_CUBED\n WRITE(6,'(A,12(es12.4,1X))')'ICE_SYM: ',WVL_ASY(I),CLOUD_ICE_ASY( I ),C0_ASY( I ),C1_ASY( I ),\n & CLOUD_DIAMETER_ICE, C2_ASY( I ), DIAMETER_SQUARED, C3_ASY( I ), DIAMETER_CUBED \n END DO\n\n DO I = 1, INTERVALS_SSA\nC Single Scattering Co-Albedo\n CLOUD_ICE_SSA( I ) = REAL(B0_SSA( I ), 8)\n & + REAL(B1_SSA( I ) * CLOUD_DIAMETER_ICE, 8)\n & + REAL(B2_SSA( I ) * DIAMETER_SQUARED, 8 )\n & + REAL(B3_SSA( I ) * DIAMETER_CUBED, 8)\n! CLOUD_ICE_SSA( I ) = MAX(0.0, CLOUD_ICE_SSA( I ))\n WRITE(6,'(A,12(es12.4,1X))')'ICE_COA: ',WVL_SSA(i),CLOUD_ICE_SSA( I ),B0_SSA( I ),B1_SSA( I ),\n & CLOUD_DIAMETER_ICE, B2_SSA( I ), DIAMETER_SQUARED, B3_SSA( I ), DIAMETER_CUBED \n END DO\n\n\n DO I = 1, INTERVALS_DEL\nC Delta function transmission for Scattering at zero scattering angle\n CLOUD_ICE_DEL( I ) = REAL(B0_DEL( I ), 8)\n & + REAL(B1_DEL( I ) * CLOUD_DIAMETER_ICE, 8)\n & + REAL(B2_DEL( I ) * DIAMETER_SQUARED, 8 )\n & + REAL(B3_DEL( I ) * DIAMETER_CUBED, 8)\n CLOUD_ICE_DEL( I ) = MAX(0.0, CLOUD_ICE_DEL( I ))\n WRITE(6,'(A,12(es12.4,1X))')'ICE_DEL: ',WVL_DEL(i),CLOUD_ICE_DEL( I ),B0_DEL( I ),B1_DEL( I ),\n & CLOUD_DIAMETER_ICE, B2_DEL( I ), DIAMETER_SQUARED, B3_DEL( I ), DIAMETER_CUBED \n END DO\n\n\n\n\n XDUMB = 1.0\n NDUMB = INTERVALS_EXT\n WAVE = 0.0\n WAVE( 1:NDUMB ) = 1.0E+3 * WVL_EXT( 1:NDUMB ) ! convert from um to nm\n\n ICE_EXT = 0.0\n ICE_ASY = 0.0\n ICE_SSA = 1.0\n ICE_DEL = 0.0\n\n CALL WVBIN_AVERAGE(WAVE, CLOUD_ICE_EXT, NDUMB, WAVE, XDUMB, NDUMB, 'P',\n & WAVE_OUTL, WAVE_OUTU, MXWLIN, YDUMB, ZDUMB )\n\n ICE_EXT( 1:NJO_NEW ) = YDUMB( 1:NJO_NEW )\n\n\n XDUMB = 1.0\n NDUMB = INTERVALS_ASY\n WAVE = 0.0\n WAVE( 1:NDUMB ) = 1.0E+3 * WVL_ASY( 1:NDUMB )\n \n CALL WVBIN_AVERAGE(WAVE, CLOUD_ICE_ASY, NDUMB, WAVE, XDUMB, NDUMB, 'P',\n & WAVE_OUTL, WAVE_OUTU, MXWLIN, YDUMB, ZDUMB )\n\n ICE_ASY( 1:NJO_NEW ) = YDUMB( 1:NJO_NEW )\n\n XDUMB = 1.0\n NDUMB = INTERVALS_SSA\n WAVE = 0.0\n WAVE( 1:NDUMB ) = 1.0E+3 * WVL_SSA( 1:NDUMB ) ! convert from um to nm\n\n CALL WVBIN_AVERAGE(WAVE, CLOUD_ICE_SSA, NDUMB, WAVE, XDUMB, NDUMB, 'P',\n & WAVE_OUTL, WAVE_OUTU, MXWLIN, YDUMB, XDUMB )\n\n ICE_SSA( 1:NJO_NEW ) = YDUMB( 1:NJO_NEW )\n\n XDUMB = 1.0\n NDUMB = INTERVALS_DEL\n WAVE = 0.0\n WAVE( 1:NDUMB ) = 1.0E+3 * WVL_DEL( 1:NDUMB ) ! convert from um to nm\n\n CALL WVBIN_AVERAGE(WAVE, CLOUD_ICE_DEL, NDUMB, WAVE, XDUMB, NDUMB, 'P',\n & WAVE_OUTL, WAVE_OUTU, MXWLIN, YDUMB, XDUMB )\n\n ICE_DEL( 1:NJO_NEW ) = YDUMB( 1:NJO_NEW )\n \n! replace zero values\n ICE_EXT( 1:I_CUTTOFF_EXT ) = ICE_EXT( I_CUTTOFF_EXT + 1 )\n ICE_ASY( 1:I_CUTTOFF_ASY ) = ICE_ASY( I_CUTTOFF_ASY + 1 )\n ICE_SSA( 1:I_CUTTOFF_SSA ) = ICE_SSA( I_CUTTOFF_SSA + 1 )\n ICE_DEL( 1:I_CUTTOFF_DEL ) = ICE_DEL( I_CUTTOFF_DEL + 1 )\n WRITE(6,'(A,8(es12.4,1X))')'ICE_CUTTOFF: ',WAVE_OUTL(I_CUTTOFF_EXT + 1),ICE_EXT(I_CUTTOFF_EXT + 1),\n & ICE_ASY(I_CUTTOFF_ASY + 1),ICE_SSA(I_CUTTOFF_SSA + 1),\n & ICE_DEL(I_CUTTOFF_DEL + 1)\n\n do ivwc = 1, NJO_NEW\n WRITE(6,'(A,8(es12.4,1X))')'ICE: ',WAVE_OUTL(ivwc),ICE_EXT(ivwc),ICE_ASY(ivwc),ICE_SSA(ivwc),\n & ICE_DEL(ivwc)\n end do\n\n RETURN\n \n98 WRITE(6,*)'ERROR opening output file for Fu (1996) data'\n STOP\n\n99 WRITE(6,'(2A)')'Error during reading of file: ',TRIM(fullname)\n STOP\n\n END\n" }, { "path": "UTIL/inline_phot_preproc/src/optics_water_cloud.f", "content": " SUBROUTINE OPTICS_WATER_CLOUD(CLOUD_RADIUS_LIQUID, WC_EXT, WC_ASF, WC_SSA)\n\n USE BIN_DATA\n USE CSQY_PARAMETERS\n\n IMPLICIT NONE\n\n REAL, INTENT( IN ) :: CLOUD_RADIUS_LIQUID ! cloud liquid droplet radii, um\n REAL, INTENT( OUT ) :: WC_EXT( : ) ! (cloud extinction coef)/LWC, 1/m*/(g/m**3)\n REAL, INTENT( OUT ) :: WC_ASF( : ) ! cloud asymmetry factor\n REAL, INTENT( OUT ) :: WC_SSA( : ) ! cloud coalbedo\n\n INTEGER, PARAMETER :: IUNIT = 155\n INTEGER, PARAMETER :: DATA_UNIT = 156\n INTEGER, PARAMETER :: mxcof = 3\n INTEGER, PARAMETER :: mxsiz = 3\n INTEGER, PARAMETER :: mxwvwc = 74\n\n INTEGER icof, isize, ivwc, lc, nlyr, nstring\n INTEGER wclyr\n LOGICAL, SAVE :: FIRST = .TRUE.\n LOGICAL :: FIRST_LINE, NEWSIZ\n LOGICAL, SAVE :: READ_DATA = .FALSE.\n LOGICAL, SAVE :: WRITE_DATA = .FALSE.\n\n REAL, SAVE :: CL_ASY(MXSIZ,MXWVWC,MXCOF), CL_EXT(MXSIZ,MXWVWC,MXCOF),\n & CL_SSA(MXSIZ,MXWVWC,MXCOF), WCWVN(MXWVWC), COEFFS( MXWVWC )\n REAL( 8 ) :: WREXT_COEFFS( MXWVWC )\n\n REAL :: CLOUD_LIQ_EXT( MXWVWC ), CLOUD_LIQ_SSA( MXWVWC ), \n & CLOUD_LIQ_ASF( MXWVWC ) \n\n REAL, SAVE :: RADBIN_LOWER( MXSIZ ), RADBIN_UPPER( MXSIZ )\n\n\n CHARACTER( 1) CHAR\n CHARACTER(19) FILENM ! No. of characters must equal\n ! length of filename.\n\n CHARACTER(100) FULLNAME, LINE\n\n REAL BASYD, BEXTD, BSSAD,\n & DELTAZ, EX_V1, EX_V2, EX_V1_L1, EX_V1_L2,\n & EX_V2_L1, EX_V2_L2, GG_V1, GG_V2, GG_V1_L1, GG_V1_L2,\n & GG_V2_L1, GG_V2_L2, SS_V1, SS_V2, SS_V1_L1, SS_V1_L2,\n & SS_V2_L1, SS_V2_L2, SPREC, SSALBD, LAMBDA, WAVLEN\n\n REAL AVG1, AVG2, REFF_AVG1, REFF_AVG2\n\n REAL, ALLOCATABLE, SAVE :: WAVE( : ), XDUMB( : ), YDUMB( : ), ZDUMB( : )\n REAL :: FACTOR\n INTEGER :: NDUMB\n REAL, ALLOCATABLE, SAVE :: WAVE_OUTL( : ), WAVE_OUTU( : ), WAVE_OUTC( : )\n\n REAL, ALLOCATABLE, SAVE :: NEW_CL_ASY(:, :, :), NEW_CL_EXT(:, :, :),\n & NEW_CL_SSA(:, :, :)\n \n INTEGER :: I, J, K\n INTEGER, SAVE :: I_CUTTOFF\n\n\n\n DATA WCWVN /\n O 2.9000E+02, 3.1400E+02, 3.4400E+02, 3.7900E+02, 4.1900E+02,\n + 4.5900E+02, 4.9900E+02, 5.4400E+02, 6.0300E+02, 6.6400E+02,\n 1 7.1900E+02, 7.6600E+02, 8.2100E+02, 9.2900E+02, 1.0460E+03,\n + 1.1420E+03, 1.2320E+03, 1.3930E+03, 1.5870E+03, 1.8550E+03,\n 2 2.2470E+03, 2.6180E+03, 3.1450E+03, 3.6900E+03, 3.9000E+03,\n + 4.1000E+03, 4.3000E+03, 4.5000E+03, 4.7000E+03, 4.9000E+03,\n 3 5.1000E+03, 5.3000E+03, 5.4000E+03, 5.5000E+03, 5.7000E+03,\n + 5.9000E+03, 6.0000E+03, 6.1000E+03, 6.2000E+03, 6.3000E+03,\n 4 6.5000E+03, 6.7000E+03, 7.0000E+03, 7.1000E+03, 7.3000E+03,\n + 7.6000E+03, 8.0000E+03, 8.6000E+03, 9.0000E+03, 9.6000E+03,\n 5 1.0000E+04, 1.0500E+04, 1.1000E+04, 1.1500E+04, 1.2500E+04,\n + 1.3500E+04, 1.4000E+04, 1.4500E+04, 1.5000E+04, 1.5500E+04,\n 6 1.6500E+04, 1.7000E+04, 1.7500E+04, 1.8000E+04, 1.9000E+04,\n + 2.0000E+04, 2.5000E+04, 3.2000E+04, 4.0000E+04, 5.0000E+04,\n 7 6.0000E+04, 8.0000E+04, 1.0000E+05, 1.5000E+05/\n\n DATA ( CL_ASY( 1, IVWC, 1 ), IVWC = 1, MXWVWC ) /\n O 1.1100E-01,-8.0600E-02,-8.2900E-02,-6.7500E-02,-9.9800E-02,\n + -1.0900E-01,-1.1500E-01,-1.2400E-01,-1.2400E-01,-1.3700E-01,\n 1 -1.4100E-01,-2.3100E-01,-1.7100E-01,-1.8600E-01,-2.1300E-01,\n + -3.1400E-01,-3.7400E-01,-4.6100E-01,-5.8200E-01,-3.5800E-01,\n 2 5.9800E-03, 4.0600E-08,-2.8500E-01, 1.8000E-03, 3.9000E-08,\n + 1.2500E-08, 9.5400E-09, 7.3900E-09, 1.7500E+01, 1.7200E+00,\n 3 2.8000E-01,-6.5200E-01,-4.1600E-03,-4.3700E-04,-5.2300E+01,\n + -9.7000E-01,-5.5900E-01,-4.2300E-01,-3.3600E-01,-3.8400E-01,\n 4 -6.2100E-01,-1.8800E+01,-4.0200E+01,-4.0100E+01,-2.7900E+01,\n + -1.3400E+01,-6.3000E+00,-3.1700E+00,-2.3000E+00,-3.2400E+00,\n 5 -1.8400E+00,-1.7600E+00,-1.8500E+00,-2.0200E+00,-2.2400E+00,\n + -2.4000E+00,-2.4600E+00,-2.5100E+00,-2.5300E+00,-2.5600E+00,\n 6 -2.5700E+00,-2.5800E+00,-2.5700E+00,-2.5600E+00,-2.5300E+00,\n + -2.5100E+00,-2.3800E+00,-2.2700E+00,-7.7900E+01, 2.7300E-01,\n 7 7.0700E-02, 2.4700E-02, 7.5300E-03, 9.8700E-04/\n\n DATA ( CL_ASY( 1, IVWC, 2 ), IVWC = 1, MXWVWC ) /\n O 9.4000E-02,-7.6200E-01,-6.8800E-01,-6.1200E-01,-8.0000E-01,\n + -7.2400E-01,-7.5600E-01,-7.8200E-01,-6.0200E-01,-6.7600E-01,\n 1 -6.9400E-01,-1.2300E+00,-8.2600E-01,-8.2400E-01,-8.0000E-01,\n + -1.2000E+00,-1.2500E+00,-1.3100E+00,-1.3900E+00,-6.4000E-01,\n 2 1.1000E+00, 5.4400E+00,-6.5600E-01, 1.6700E+00, 5.6800E+00,\n + 6.0000E+00, 6.0000E+00, 6.0000E+00,-4.8800E+00,-3.0500E+00,\n 3 -1.5100E+00, 4.0000E-02, 9.8600E-01, 1.7600E+00,-6.0000E+00,\n + -2.1000E+00,-1.3600E+00,-1.0400E+00,-4.0000E-01,-2.1800E-01,\n 4 -1.9000E+00,-4.5500E+00,-5.0000E+00,-4.9300E+00,-4.5800E+00,\n + -3.9200E+00,-3.2100E+00,-2.5000E+00,-2.1100E+00,-2.4400E+00,\n 5 -1.7100E+00,-1.5500E+00,-1.5000E+00,-1.5000E+00,-1.5000E+00,\n + -1.4800E+00,-1.4600E+00,-1.4400E+00,-1.4200E+00,-1.4000E+00,\n 6 -1.3500E+00,-1.3200E+00,-1.2900E+00,-1.2600E+00,-1.2100E+00,\n + -1.1500E+00,-9.3600E-01,-5.4800E-01,-6.0000E-03, 5.4000E-01,\n 7 8.8400E-01, 1.1500E+00, 1.4800E+00, 1.9900E+00/\n\n DATA ( CL_ASY( 1, IVWC, 3 ), IVWC = 1, MXWVWC ) /\n O 7.3000E-01, 8.8300E-01, 8.8400E-01, 8.8200E-01, 8.8200E-01,\n + 8.8600E-01, 8.8500E-01, 8.8500E-01, 8.9400E-01, 8.9000E-01,\n 1 8.8900E-01, 8.7500E-01, 8.8300E-01, 8.8400E-01, 8.8700E-01,\n + 8.7100E-01, 8.7100E-01, 8.7100E-01, 8.7000E-01, 9.2500E-01,\n 2 7.6600E-01, 8.6100E-01, 1.0100E+00, 7.5600E-01, 7.7400E-01,\n + 7.8800E-01, 8.0400E-01, 8.2100E-01, 8.2700E-01, 8.2400E-01,\n 3 8.1700E-01, 1.5500E+00, 8.7600E-01, 8.6700E-01, 8.7500E-01,\n + 9.2300E-01, 9.5900E-01, 9.6700E-01, 1.0500E+00, 1.1300E+00,\n 4 8.8300E-01, 8.6700E-01, 8.6900E-01, 8.7100E-01, 8.7400E-01,\n + 8.8000E-01, 8.8900E-01, 9.0500E-01, 9.2000E-01, 8.8400E-01,\n 5 9.4700E-01, 9.7200E-01, 9.8200E-01, 9.8400E-01, 9.7500E-01,\n + 9.6300E-01, 9.5700E-01, 9.5400E-01, 9.5200E-01, 9.5100E-01,\n 6 9.5100E-01, 9.5200E-01, 9.5300E-01, 9.5500E-01, 9.6100E-01,\n + 9.7100E-01, 1.0300E+00, 1.3200E+00, 7.7500E+01,-4.7000E-01,\n 7 -1.6500E-01,-7.2000E-02,-2.6200E-02,-6.7200E-04/\n\n DATA ( CL_ASY( 2, IVWC, 1 ), IVWC = 1, MXWVWC ) /\n O -3.1500E-01,-8.4300E-02,-9.0800E-02,-1.6300E-01,-1.0200E-01,\n + -1.1100E-01,-1.0900E-01,-1.2000E-01,-1.3300E-01,-1.5500E-01,\n 1 -1.5700E-01,-1.1500E-01,-1.6700E-01,-1.7400E-01,-2.1200E-01,\n + -2.0800E-01,-2.0600E-01,-2.1900E-01,-2.3800E-01,-2.5100E-01,\n 2 -3.0100E-01,-6.5600E-01,-3.2000E+00,-6.0800E-01,-6.0100E-01,\n + -8.1600E-01,-1.2300E+00,-1.9400E+00,-2.3400E+00,-2.3600E+00,\n 3 -2.2000E+00,-1.7700E+00,-1.4100E+00,-1.1500E+00,-1.1400E+00,\n + -1.7500E+00,-2.3600E+00,-5.9300E+00,-1.7800E+01,-1.7900E+01,\n 4 -5.6500E+00,-2.4900E+00,-1.1500E+00,-8.2100E-01,-1.4300E+00,\n + 9.0700E-02, 3.9800E-03, 1.0900E-04, 4.5500E-06, 8.4500E-03,\n 5 8.5200E-05,-2.2400E-01,-1.1600E+00,-1.7800E+00,-2.1200E+00,\n + -2.3000E+00,-2.4100E+00,-2.5100E+00,-2.6200E+00,-2.7300E+00,\n 6 -2.9200E+00,-3.0600E+00,-3.1600E+00,-3.2500E+00,-3.3600E+00,\n + -3.3900E+00,-3.2900E+00,-3.7900E+00,-6.6900E+00,-8.9900E+00,\n 7 -7.5200E+00,-4.0700E+00,-3.1200E+00, 1.8900E+01/\n\n DATA ( CL_ASY( 2, IVWC, 2 ), IVWC = 1, MXWVWC ) /\n O -1.4700E+00,-8.0600E-01,-8.0600E-01,-1.0200E+00,-7.8000E-01,\n + -7.8800E-01,-7.4800E-01,-7.4800E-01,-7.6600E-01,-8.1600E-01,\n 1 -7.8200E-01,-6.2800E-01,-7.4400E-01,-7.2400E-01,-7.8200E-01,\n + -7.1000E-01,-6.6800E-01,-6.3400E-01,-5.9600E-01,-5.0200E-01,\n 2 -4.3000E-01,-8.7800E-01,-2.1600E+00,-6.5000E-01,-4.7800E-01,\n + -6.6200E-01,-8.5400E-01,-1.0700E+00,-1.1300E+00,-1.1100E+00,\n 3 -1.0600E+00,-9.2800E-01,-7.9400E-01,-6.6600E-01,-7.4600E-01,\n + -1.2400E+00,-1.6300E+00,-2.0200E+00,-2.3900E+00,-2.2600E+00,\n 4 -1.5900E+00,-1.1400E+00,-7.0800E-01,-4.0600E-01,-8.8000E-02,\n + 3.5000E-01, 9.9400E-01, 1.8800E+00, 2.6800E+00, 8.1200E-01,\n 5 1.7400E+00,-5.4600E-01,-1.3300E+00,-1.4600E+00,-1.4800E+00,\n + -1.4800E+00,-1.4700E+00,-1.4700E+00,-1.4600E+00,-1.4600E+00,\n 6 -1.4600E+00,-1.4500E+00,-1.4400E+00,-1.4400E+00,-1.4200E+00,\n + -1.3700E+00,-1.2400E+00,-1.1600E+00,-1.2900E+00,-1.2900E+00,\n 7 -1.1000E+00,-6.8000E-01,-2.9800E-01, 1.8000E-02/\n\n DATA ( CL_ASY( 2, IVWC, 3 ), IVWC = 1, MXWVWC ) /\n O 8.7800E-01, 8.8200E-01, 8.8100E-01, 8.8100E-01, 8.8300E-01,\n + 8.8400E-01, 8.8500E-01, 8.8600E-01, 8.8600E-01, 8.8500E-01,\n 1 8.8600E-01, 8.8900E-01, 8.8800E-01, 8.8800E-01, 8.8800E-01,\n + 8.9100E-01, 8.9400E-01, 8.9900E-01, 9.0600E-01, 9.2300E-01,\n 2 9.5800E-01, 9.6300E-01, 9.6500E-01, 9.8700E-01, 1.0100E+00,\n + 9.8600E-01, 9.8400E-01, 9.8400E-01, 9.8400E-01, 9.8400E-01,\n 3 9.8800E-01, 1.0000E+00, 1.0200E+00, 1.0500E+00, 1.0400E+00,\n + 9.9300E-01, 9.7900E-01, 9.7300E-01, 9.6700E-01, 9.6900E-01,\n 4 9.8200E-01, 1.0000E+00, 1.0500E+00, 1.1500E+00, 2.0100E+00,\n + 6.4600E-01, 8.2600E-01, 8.7800E-01, 9.0000E-01, 8.0400E-01,\n 5 9.1700E-01, 9.9400E-01, 9.8200E-01, 9.8300E-01, 9.7400E-01,\n + 9.6100E-01, 9.5400E-01, 9.5000E-01, 9.4600E-01, 9.4300E-01,\n 6 9.3900E-01, 9.3700E-01, 9.3600E-01, 9.3500E-01, 9.3500E-01,\n + 9.3700E-01, 9.4400E-01, 9.4900E-01, 9.3800E-01, 9.3100E-01,\n 7 9.4700E-01, 1.1000E+00, 1.7500E+00,-1.9700E+01/\n\n DATA ( CL_ASY( 3, IVWC, 1 ), IVWC = 1, MXWVWC ) /\n O -9.9200E-02,-1.3000E-01,-1.5000E-01,-2.6400E-01,-1.7700E-01,\n + -1.7700E-01,-1.8400E-01,-2.0700E-01,-2.0500E-01,-2.0300E-01,\n 1 -2.1400E-01,-2.5500E-01,-2.5800E-01,-2.8900E-01,-2.7400E-01,\n + -2.8400E-01,-2.8400E-01,-2.3100E-01,-2.2000E-01,-2.3100E-01,\n 2 -2.9400E-01,-3.8700E-01,-1.6500E+00,-8.8600E-01,-6.4200E-01,\n + -8.0900E-01,-1.5000E+00,-3.7600E+00,-4.6700E+00,-3.8000E+00,\n 3 -3.2000E+00,-2.8200E+00,-2.6800E+00,-2.9900E+00,-1.6400E+01,\n + -7.2200E+01,-7.5900E+00,-3.6500E+00,-3.9500E+00,-1.6300E+01,\n 4 -7.5000E+01,-8.2900E+01,-7.7700E+01,-7.4100E+01,-7.3200E+01,\n + -8.1300E+01,-9.0100E+01,-9.1000E+01,-6.1600E+01,-1.0100E+02,\n 5 -7.4500E+00,-7.3900E-01,-4.6500E-01,-1.2700E+00,-2.0600E+00,\n + -2.3200E+00,-2.5100E+00,-2.6900E+00,-2.8900E+00,-3.1000E+00,\n 6 -3.4900E+00,-3.8400E+00,-4.1500E+00,-4.5300E+00,-5.2600E+00,\n + -6.6300E+00,-1.2000E+01,-1.5700E+01,-1.2400E+01,-1.5900E+01,\n 7 -2.0200E+01,-1.6600E+01,-1.0700E+01,-4.3800E+00/\n\n DATA ( CL_ASY( 3, IVWC, 2 ), IVWC = 1, MXWVWC ) /\n O -9.0800E-01,-9.8600E-01,-1.0100E+00,-1.1800E+00,-1.0100E+00,\n + -9.8000E-01,-9.6600E-01,-9.8400E-01,-9.5200E-01,-9.2000E-01,\n 1 -9.1600E-01,-9.7400E-01,-9.3600E-01,-9.4200E-01,-8.8600E-01,\n + -8.6200E-01,-8.1600E-01,-6.5400E-01,-5.3400E-01,-4.1000E-01,\n 2 -2.6800E-01,-5.7000E-01,-1.9400E+00,-8.1000E-01,-4.5000E-01,\n + -5.8400E-01,-8.8200E-01,-1.2800E+00,-1.3600E+00,-1.2700E+00,\n 3 -1.1900E+00,-1.1300E+00,-1.1000E+00,-1.1400E+00,-1.8600E+00,\n + -2.6400E+00,-2.1300E+00,-1.9200E+00,-1.9400E+00,-2.3000E+00,\n 4 -2.5500E+00,-2.4600E+00,-2.3800E+00,-2.3300E+00,-2.2900E+00,\n + -2.3000E+00,-2.3000E+00,-2.2800E+00,-2.1500E+00,-2.3300E+00,\n 5 -1.5300E+00,-8.4000E-01,-8.5400E-01,-1.3100E+00,-1.4600E+00,\n + -1.4700E+00,-1.4800E+00,-1.4800E+00,-1.4900E+00,-1.5000E+00,\n 6 -1.5200E+00,-1.5300E+00,-1.5400E+00,-1.5600E+00,-1.5800E+00,\n + -1.6200E+00,-1.7100E+00,-1.6700E+00,-1.5000E+00,-1.4900E+00,\n 7 -1.4800E+00,-1.2900E+00,-1.0300E+00,-5.4600E-01/\n\n DATA ( CL_ASY( 3, IVWC, 3 ), IVWC = 1, MXWVWC ) /\n O 8.8000E-01, 8.8100E-01, 8.8000E-01, 8.8000E-01, 8.8200E-01,\n + 8.8300E-01, 8.8300E-01, 8.8400E-01, 8.8400E-01, 8.8400E-01,\n 1 8.8500E-01, 8.8400E-01, 8.8500E-01, 8.8500E-01, 8.8700E-01,\n + 8.8800E-01, 8.9000E-01, 8.9800E-01, 9.1000E-01, 9.3500E-01,\n 2 1.0100E+00, 9.8600E-01, 9.6500E-01, 9.7600E-01, 1.0300E+00,\n + 1.0100E+00, 9.9100E-01, 9.8100E-01, 9.8000E-01, 9.8200E-01,\n 3 9.8400E-01, 9.8700E-01, 9.8800E-01, 9.8800E-01, 9.7800E-01,\n + 9.7600E-01, 9.7500E-01, 9.7200E-01, 9.6800E-01, 9.6700E-01,\n 4 9.6900E-01, 9.7100E-01, 9.7200E-01, 9.7300E-01, 9.7400E-01,\n + 9.7500E-01, 9.7600E-01, 9.7800E-01, 9.8100E-01, 9.7200E-01,\n 5 9.8800E-01, 1.0000E+00, 9.9400E-01, 9.8600E-01, 9.7500E-01,\n + 9.6100E-01, 9.5400E-01, 9.5000E-01, 9.4600E-01, 9.4300E-01,\n 6 9.3900E-01, 9.3600E-01, 9.3400E-01, 9.3300E-01, 9.3200E-01,\n + 9.3100E-01, 9.3000E-01, 9.3100E-01, 9.3200E-01, 9.1700E-01,\n 7 9.0000E-01, 9.0200E-01, 9.3200E-01, 1.1400E+00/\n\n DATA ( CL_EXT( 1, IVWC, 1 ), IVWC = 1, MXWVWC ) /\n O 1.6300E+03, 1.6700E+03, 1.6700E+03, 1.6800E+03, 1.7000E+03,\n + 1.7200E+03, 1.7300E+03, 1.7500E+03, 1.7600E+03, 1.7900E+03,\n 1 1.8100E+03, 1.8400E+03, 1.8600E+03, 1.8700E+03, 1.9100E+03,\n + 1.9400E+03, 1.9600E+03, 1.9800E+03, 2.0100E+03, 2.1500E+03,\n 2 3.2600E+03, 4.5600E+03, 2.7100E+03, 5.2900E+03, 6.4000E+03,\n + 5.4200E+03, 4.3000E+03, 3.3200E+03, 2.6900E+03, 2.2900E+03,\n 3 2.0300E+03, 2.5200E+03,-4.3100E+04,-1.1000E+03,-2.6100E+02,\n + -1.8400E+02,-4.9300E+02,-3.1500E+04, 1.9500E+03, 2.4100E+03,\n 4 -1.1400E+03,-1.8700E+02,-4.3600E+01,-1.7600E+01,-7.1300E+00,\n + -1.9700E+00,-2.8900E-01,-1.2900E-02,-2.6000E-04,-7.6200E-02,\n 5 -9.9100E-06,-5.9100E+04,-3.8800E-05,-1.7900E+00,-8.3400E+01,\n + -4.9000E+02,-7.7800E+02,-7.4700E+02,-6.1800E+02,-4.5600E+02,\n 6 -2.8300E+02,-1.8200E+02,-1.2300E+02,-7.9800E+01,-3.5200E+01,\n + -9.8600E+00,-1.2200E-01,-7.2700E-06,-2.9300E+04,-3.9300E+03,\n 7 -4.0000E+02, 8.6300E+01, 1.7100E+00, 3.9300E-02/\n\n DATA ( CL_EXT( 1, IVWC, 2 ), IVWC = 1, MXWVWC ) /\n O -1.0300E+00,-1.0400E+00,-1.0400E+00,-1.0500E+00,-1.0500E+00,\n + -1.0600E+00,-1.0600E+00,-1.0700E+00,-1.0600E+00,-1.0700E+00,\n 1 -1.0800E+00,-1.0900E+00,-1.0900E+00,-1.0900E+00,-1.1000E+00,\n + -1.1100E+00,-1.1100E+00,-1.1100E+00,-1.1100E+00,-1.1500E+00,\n 2 -1.4600E+00,-1.6100E+00,-1.2700E+00,-1.7300E+00,-1.7900E+00,\n + -1.6300E+00,-1.4200E+00,-1.1900E+00,-9.8400E-01,-7.8600E-01,\n 3 -5.4600E-01,-2.2600E-01, 8.0000E-03, 2.0400E-01, 4.5800E-01,\n + 5.0000E-01, 2.7000E-01, 8.0000E-03,-2.5000E-01,-1.8600E-01,\n 4 1.8600E-01, 5.3200E-01, 9.2400E-01, 1.2000E+00, 1.4900E+00,\n + 1.9100E+00, 2.5700E+00, 3.6500E+00, 5.0600E+00, 3.0000E+00,\n 5 6.0000E+00,-6.0000E+00, 5.2400E+00, 1.3600E+00, 4.1200E-01,\n + 1.6600E-01, 1.2800E-01, 1.3800E-01, 1.6400E-01, 2.0800E-01,\n 6 2.9000E-01, 3.7800E-01, 4.6600E-01, 5.7000E-01, 7.8600E-01,\n + 1.1600E+00, 2.6100E+00, 6.0000E+00,-5.1800E+00,-3.6900E+00,\n 7 -1.6000E+00, 2.9200E-01, 1.3600E+00, 2.3500E+00/\n\n DATA ( CL_EXT( 1, IVWC, 3 ), IVWC = 1, MXWVWC ) /\n O 7.6600E-01, 3.8300E+00, 3.4900E+00, 4.2600E+00, 4.4900E+00,\n + 4.9900E+00, 5.1300E+00, 5.9500E+00, 5.0100E+00, 5.9800E+00,\n 1 6.8500E+00, 8.8100E+00, 8.6100E+00, 8.4100E+00, 7.5100E+00,\n + 1.0100E+01, 9.2900E+00, 7.6100E+00, 8.8000E+00, 1.4200E+01,\n 2 5.4200E+01, 5.7400E+01, 2.3500E+01, 7.3400E+01, 7.0300E+01,\n + 4.7800E+01, 1.5200E+01,-3.3100E+01,-9.6600E+01,-1.8900E+02,\n 3 -3.8800E+02,-1.3000E+03, 4.4100E+04, 1.9600E+03, 9.5500E+02,\n + 7.8300E+02, 1.1100E+03, 3.2300E+04,-9.0200E+02,-1.3800E+03,\n 4 1.9500E+03, 8.4500E+02, 5.8200E+02, 4.9900E+02, 4.4300E+02,\n + 3.8700E+02, 3.3500E+02, 2.8400E+02, 2.4800E+02, 3.0200E+02,\n 5 1.9500E+02, 1.5500E+02, 1.4000E+02, 1.6600E+02, 3.5100E+02,\n + 8.6900E+02, 1.2000E+03, 1.1900E+03, 1.0700E+03, 9.0700E+02,\n 6 7.2800E+02, 6.1500E+02, 5.4100E+02, 4.8100E+02, 4.0200E+02,\n + 3.3000E+02, 2.3700E+02, 1.7600E+02, 1.4400E+02, 1.3500E+02,\n 7 1.3900E+02,-6.7600E+01, 2.8700E+01, 1.9000E+01/\n\n DATA ( CL_EXT( 2, IVWC, 1 ), IVWC = 1, MXWVWC ) /\n O 1.6300E+03, 1.6100E+03, 1.6200E+03, 1.6400E+03, 1.6400E+03,\n + 1.6500E+03, 1.6600E+03, 1.6700E+03, 1.6800E+03, 1.6900E+03,\n 1 1.7000E+03, 1.7100E+03, 1.7300E+03, 1.7400E+03, 1.7700E+03,\n + 1.7800E+03, 1.8000E+03, 1.8300E+03, 1.8700E+03, 1.9100E+03,\n 2 1.9900E+03, 2.0500E+03, 2.0200E+03, 2.1700E+03, 2.2400E+03,\n + 2.2600E+03, 2.2800E+03, 2.2800E+03, 2.2800E+03, 2.2800E+03,\n 3 2.2800E+03, 2.3000E+03, 2.3400E+03, 2.4100E+03, 2.7600E+03,\n + 3.1200E+03, 2.9200E+03, 2.7400E+03, 2.6100E+03, 2.6200E+03,\n 4 2.7600E+03, 3.0300E+03, 3.5600E+03, 4.0600E+03, 4.7400E+03,\n + 5.9800E+03, 8.0000E+03, 9.6300E+03, 8.5300E+03, 7.5200E+03,\n 5 2.3700E+03, 8.1700E+02, 7.9400E+02, 5.3800E+02, 7.1100E+02,\n + 1.0700E+03, 1.2800E+03, 1.4000E+03, 1.5000E+03, 1.5900E+03,\n 6 1.7300E+03, 1.8200E+03, 1.8900E+03, 1.9500E+03, 2.0200E+03,\n + 2.0300E+03, 1.6900E+03, 9.3800E+02, 1.1900E+03,-7.3800E+02,\n 7 -9.4400E+01,-4.0700E-01,-1.9000E-07,-4.4900E+03/\n\n DATA ( CL_EXT( 2, IVWC, 2 ), IVWC = 1, MXWVWC ) /\n O -1.0300E+00,-1.0200E+00,-1.0200E+00,-1.0300E+00,-1.0200E+00,\n + -1.0300E+00,-1.0300E+00,-1.0300E+00,-1.0300E+00,-1.0300E+00,\n 1 -1.0400E+00,-1.0400E+00,-1.0400E+00,-1.0400E+00,-1.0500E+00,\n + -1.0500E+00,-1.0500E+00,-1.0600E+00,-1.0600E+00,-1.0700E+00,\n 2 -1.0800E+00,-1.0900E+00,-1.0800E+00,-1.1000E+00,-1.1100E+00,\n + -1.1200E+00,-1.1200E+00,-1.1100E+00,-1.1100E+00,-1.1100E+00,\n 3 -1.1100E+00,-1.1100E+00,-1.1200E+00,-1.1300E+00,-1.1900E+00,\n + -1.2400E+00,-1.2200E+00,-1.1900E+00,-1.1600E+00,-1.1600E+00,\n 4 -1.1800E+00,-1.2200E+00,-1.2900E+00,-1.3400E+00,-1.4000E+00,\n + -1.4900E+00,-1.6000E+00,-1.6600E+00,-1.5900E+00,-1.5500E+00,\n 5 -1.0200E+00,-4.2400E-01,-1.4800E-01,-2.8800E-01,-6.0600E-01,\n + -7.9400E-01,-8.6200E-01,-8.9400E-01,-9.1800E-01,-9.3800E-01,\n 6 -9.6600E-01,-9.8200E-01,-9.9400E-01,-1.0000E+00,-1.0100E+00,\n + -1.0000E+00,-8.9200E-01,-5.4400E-01,-9.2000E-02, 8.0000E-02,\n 7 3.0600E-01, 1.4800E+00, 5.4100E+00,-1.8400E+00/\n\n DATA ( CL_EXT( 2, IVWC, 3 ), IVWC = 1, MXWVWC ) /\n O 9.9000E-01, 5.4400E-01, 6.3400E-01, 8.3300E-01, 6.4400E-01,\n + 7.2300E-01, 8.1300E-01, 8.7300E-01, 9.2800E-01, 9.8900E-01,\n 1 1.0400E+00, 1.0100E+00, 1.1600E+00, 1.1900E+00, 1.4600E+00,\n + 1.3200E+00, 1.5000E+00, 1.6300E+00, 1.9300E+00, 1.9600E+00,\n 2 2.5400E+00, 2.6600E+00, 2.2400E+00, 3.0100E+00, 3.3200E+00,\n + 3.2900E+00, 3.1600E+00, 2.9100E+00, 2.6600E+00, 2.4200E+00,\n 3 2.1900E+00, 2.2500E+00, 2.6000E+00, 3.4700E+00, 6.8200E+00,\n + 9.5100E+00, 8.2400E+00, 6.8600E+00, 5.4900E+00, 5.3600E+00,\n 4 6.3400E+00, 8.3500E+00, 1.1600E+01, 1.4000E+01, 1.6500E+01,\n + 1.9600E+01, 2.2500E+01, 2.2600E+01, 1.8300E+01, 1.9100E+01,\n 5 -1.6900E+01,-1.3500E+02,-4.2300E+02,-1.4800E+02,-3.7200E+01,\n + -1.7300E+01,-1.2700E+01,-1.0800E+01,-9.5800E+00,-8.6100E+00,\n 6 -7.2600E+00,-6.6700E+00,-6.1800E+00,-6.0700E+00,-6.1400E+00,\n + -7.6300E+00,-2.0200E+01,-8.4400E+01,-8.0800E+02, 1.0300E+03,\n 7 3.3400E+02, 1.3200E+02, 8.8900E+01, 7.1200E+01/\n\n DATA ( CL_EXT( 3, IVWC, 1 ), IVWC = 1, MXWVWC ) /\n O 9.4000E+02, 9.4100E+02, 9.4200E+02, 9.4800E+02, 9.5400E+02,\n + 9.5500E+02, 9.6200E+02, 9.6300E+02, 9.7000E+02, 9.7600E+02,\n 1 9.7800E+02, 9.8400E+02, 9.9100E+02, 9.9900E+02, 1.0100E+03,\n + 1.0100E+03, 1.0300E+03, 1.0400E+03, 1.0500E+03, 1.0700E+03,\n 2 1.0900E+03, 1.1200E+03, 1.1200E+03, 1.1700E+03, 1.2000E+03,\n + 1.2200E+03, 1.2300E+03, 1.2400E+03, 1.2600E+03, 1.2700E+03,\n 3 1.2800E+03, 1.3000E+03, 1.3100E+03, 1.3100E+03, 1.3200E+03,\n + 1.3000E+03, 1.2700E+03, 1.2800E+03, 1.3000E+03, 1.3200E+03,\n 4 1.3500E+03, 1.3700E+03, 1.3900E+03, 1.4000E+03, 1.4100E+03,\n + 1.4200E+03, 1.4400E+03, 1.4600E+03, 1.5000E+03, 1.5200E+03,\n 5 1.9600E+03, 2.4500E+03, 1.6800E+03, 9.7700E+02, 8.9200E+02,\n + 1.0300E+03, 1.1300E+03, 1.1900E+03, 1.2400E+03, 1.2800E+03,\n 6 1.3500E+03, 1.4000E+03, 1.4400E+03, 1.4700E+03, 1.5300E+03,\n + 1.6100E+03, 1.8100E+03, 2.1300E+03, 1.8600E+03, 1.5200E+03,\n 7 1.5400E+03, 1.3600E+03, 6.8500E+02,-2.2600E-01/\n\n DATA ( CL_EXT( 3, IVWC, 2 ), IVWC = 1, MXWVWC ) /\n O -8.0600E-01,-8.0600E-01,-8.0600E-01,-8.0800E-01,-8.1000E-01,\n + -8.1000E-01,-8.1200E-01,-8.1200E-01,-8.1400E-01,-8.1600E-01,\n 1 -8.1600E-01,-8.1800E-01,-8.2000E-01,-8.2200E-01,-8.2400E-01,\n + -8.2600E-01,-8.3000E-01,-8.3200E-01,-8.3600E-01,-8.4000E-01,\n 2 -8.4600E-01,-8.5200E-01,-8.5200E-01,-8.6400E-01,-8.7000E-01,\n + -8.7400E-01,-8.7600E-01,-8.7800E-01,-8.8200E-01,-8.8400E-01,\n 3 -8.8800E-01,-8.9200E-01,-8.9400E-01,-8.9400E-01,-8.9600E-01,\n + -8.9200E-01,-8.8400E-01,-8.8600E-01,-8.9000E-01,-8.9400E-01,\n 4 -9.0000E-01,-9.0400E-01,-9.0800E-01,-9.1000E-01,-9.1200E-01,\n + -9.1400E-01,-9.1600E-01,-9.2000E-01,-9.2800E-01,-9.3000E-01,\n 5 -1.0200E+00,-1.0900E+00,-9.6600E-01,-7.8800E-01,-7.6200E-01,\n + -8.0800E-01,-8.3600E-01,-8.5000E-01,-8.6200E-01,-8.7200E-01,\n 6 -8.8600E-01,-8.9600E-01,-9.0400E-01,-9.1000E-01,-9.2000E-01,\n + -9.3400E-01,-9.6600E-01,-1.0100E+00,-9.5200E-01,-8.7200E-01,\n 7 -8.6200E-01,-7.9000E-01,-4.6800E-01, 1.2900E+00/\n\n DATA ( CL_EXT( 3, IVWC, 3 ), IVWC = 1, MXWVWC ) /\n O -1.0100E+01,-1.0100E+01,-1.0200E+01,-1.0100E+01,-9.9900E+00,\n + -1.0000E+01,-9.9500E+00,-9.9800E+00,-9.9100E+00,-9.8400E+00,\n 1 -9.8900E+00,-9.7900E+00,-9.7400E+00,-9.6900E+00,-9.6500E+00,\n + -9.6100E+00,-9.4400E+00,-9.4000E+00,-9.3100E+00,-9.2200E+00,\n 2 -9.0800E+00,-8.9400E+00,-8.9900E+00,-8.6700E+00,-8.5100E+00,\n + -8.3800E+00,-8.3500E+00,-8.3200E+00,-8.1900E+00,-8.1600E+00,\n 3 -8.0300E+00,-7.9000E+00,-7.8600E+00,-7.9000E+00,-7.8200E+00,\n + -7.9400E+00,-8.2000E+00,-8.1400E+00,-8.0400E+00,-7.9200E+00,\n 4 -7.7600E+00,-7.6600E+00,-7.5600E+00,-7.5200E+00,-7.4800E+00,\n + -7.4700E+00,-7.4800E+00,-7.4200E+00,-7.1500E+00,-7.1300E+00,\n 5 -3.7300E+00,-1.5700E+00,-5.8400E+00,-1.2800E+01,-1.3500E+01,\n + -1.1500E+01,-1.0500E+01,-1.0100E+01,-9.6600E+00,-9.3700E+00,\n 6 -8.9700E+00,-8.6700E+00,-8.4200E+00,-8.2800E+00,-8.0100E+00,\n + -7.5800E+00,-6.7100E+00,-5.7200E+00,-8.6800E+00,-1.3000E+01,\n 7 -1.4500E+01,-2.1700E+01,-6.7500E+01, 8.1000E+01/\n\n DATA ( CL_SSA( 1, IVWC, 1 ), IVWC = 1, MXWVWC ) /\n O 1.4200E-06,-2.3300E-05,-2.0300E-05, 1.4300E-07, 2.5700E-08,\n + 2.1000E-08, 3.7200E-09, 1.8200E-08, 2.7000E-07, 5.4700E-07,\n 1 9.9500E-07, 5.9300E-07, 8.0300E-07, 7.4200E-06, 2.3600E-04,\n + 1.5900E-04, 3.1100E-04, 1.0100E-03, 1.3800E-03, 4.0000E-03,\n 2 1.2500E-02, 2.0000E+00,-1.2200E+00,-5.9400E-01, 1.6900E-01,\n + 1.4000E-01, 1.5000E-01, 1.4000E-01, 7.8900E-02, 3.8300E-02,\n 3 1.7700E-02, 6.9600E-03, 3.6800E-03, 2.2900E-03, 1.9200E-03,\n + 9.3200E-04, 1.3200E-04, 2.1300E-03, 3.8300E-02, 3.5600E-02,\n 4 7.6800E-03, 2.2800E-03, 6.5900E-04, 2.8000E-04, 1.1300E-04,\n + 2.6700E-05, 1.9600E-06, 1.9100E-08, 1.3500E+02, 2.6900E-08,\n 5 7.6700E+00, 1.7000E+00, 1.0700E+00, 9.8000E-01, 9.4300E-01,\n + 8.5700E-01, 8.3800E-01, 8.3600E-01, 8.4100E-01, 8.5300E-01,\n 6 8.8200E-01, 9.1800E-01, 9.5400E-01, 1.0000E+00, 1.1000E+00,\n + 1.2200E+00, 1.3900E+00, 1.3800E+00, 1.2700E+00, 1.9200E+00,\n 7 -1.0500E+01,-3.0300E-01,-3.9500E-02,-1.3700E-03/\n\n DATA ( CL_SSA( 1, IVWC, 2 ), IVWC = 1, MXWVWC ) /\n O 7.6600E-01,-2.3200E-01,-1.5200E+00, 9.5200E-01, 1.2100E+00,\n + 1.1300E+00, 1.6000E+00, 1.2100E+00, 7.3400E-01, 8.1400E-01,\n 1 8.5600E-01, 1.2600E+00, 1.4400E+00, 1.0500E+00, 4.1000E-01,\n + 7.8600E-01, 8.2000E-01, 7.1600E-01, 7.9000E-01, 6.8800E-01,\n 2 6.0200E-01, 4.6000E-02,-1.9000E+00,-5.2400E-01, 2.8400E-01,\n + 3.6000E-01, 4.0400E-01, 4.7000E-01, 6.2800E-01, 8.2800E-01,\n 3 1.0600E+00, 1.3600E+00, 1.5700E+00, 1.7300E+00, 1.8700E+00,\n + 2.0700E+00, 2.6100E+00, 1.6200E+00, 7.7400E-01, 8.6000E-01,\n 4 1.4100E+00, 1.8300E+00, 2.2600E+00, 2.5600E+00, 2.8700E+00,\n + 3.3800E+00, 4.3300E+00, 6.0000E+00,-6.0000E+00, 5.9300E+00,\n 5 -3.0800E+00,-1.5000E+00,-8.1000E-01,-4.3600E-01,-3.9000E-01,\n + -5.2200E-01,-6.1800E-01,-6.7600E-01,-7.3200E-01,-7.8600E-01,\n 6 -8.7200E-01,-9.4600E-01,-1.0100E+00,-1.0700E+00,-1.1700E+00,\n + -1.2500E+00,-1.2300E+00,-9.6800E-01,-5.2400E-01,-1.9000E-01,\n 7 2.4000E-02, 4.1200E-01, 9.7000E-01, 2.0300E+00/\n\n DATA ( CL_SSA( 1, IVWC, 3 ), IVWC = 1, MXWVWC ) /\n O -1.0200E-06, 1.9500E-05, 4.0100E-06,-2.3100E-08, 1.0100E-07,\n + 5.5900E-08, 1.0700E-07, 6.8900E-08,-2.4300E-07,-1.4100E-07,\n 1 -4.3700E-07, 1.6900E-06, 5.0400E-06, 5.0800E-06,-2.6900E-04,\n + -1.3300E-04,-2.1700E-04,-9.8400E-04,-1.2900E-03,-4.4800E-03,\n 2 -1.6200E-02,-2.0600E+00, 4.9300E-01, 4.2200E-01,-2.1700E-01,\n + -1.9000E-01,-2.0700E-01,-1.9300E-01,-1.0800E-01,-4.4200E-02,\n 3 -3.4600E-03, 2.6100E-02, 3.9100E-02, 4.9600E-02, 1.1600E-01,\n + 2.7000E-01, 3.9600E-01, 3.7200E-01, 2.3100E-01, 1.7400E-01,\n 4 1.6300E-01, 1.5900E-01, 1.6700E-01, 1.6900E-01, 1.7200E-01,\n + 1.8200E-01, 1.9600E-01, 2.2100E-01, 2.4700E-01, 2.3800E-01,\n 5 2.9600E-01, 3.2300E-01, 3.2700E-01, 2.3100E-01, 2.3200E-01,\n + 3.4200E-01, 3.8800E-01, 4.0800E-01, 4.2500E-01, 4.3800E-01,\n 6 4.5500E-01, 4.6600E-01, 4.7300E-01, 4.8000E-01, 4.8600E-01,\n + 4.8800E-01, 4.7100E-01, 4.1300E-01, 2.3500E-01,-5.6700E-01,\n 7 1.1800E+01, 1.4900E+00, 1.1200E+00, 1.0100E+00/\n\n DATA ( CL_SSA( 2, IVWC, 1 ), IVWC = 1, MXWVWC ) /\n O 9.0000E-07, 5.0800E-07, 3.6800E-07, 3.9400E-07, 1.6700E-07,\n + 2.7500E-07, 2.7700E-08, 3.2300E-08, 1.1900E-07, 5.9100E-07,\n 1 1.8800E-07, 4.5200E-06, 3.7900E-05, 1.5800E-05, 2.8200E-05,\n + 8.5400E-05, 2.2700E-04, 4.6200E-04, 7.2500E-04, 2.1000E-03,\n 2 5.8100E-03, 5.9200E-01,-9.0000E-05,-2.7600E+00, 6.5700E-02,\n + 1.4400E-01, 1.2900E+00,-1.2700E+00,-1.1900E+00,-1.2700E+00,\n 3 -1.3900E+00,-1.4800E+00,-1.5000E+00,-1.3500E+00,-3.3400E+00,\n + -1.5900E+03,-6.3100E+04,-1.0500E-11,-6.0600E-10,-6.2700E+04,\n 4 -9.3900E+01,-2.3600E+01,-1.9500E+01,-1.7900E+01,-1.7800E+01,\n + -2.0000E+01,-1.9700E+01,-1.4000E+01,-6.6800E+00,-1.5500E+01,\n 5 -1.6800E+00, 8.0000E-03, 3.0100E-08, 4.7300E+01, 1.9600E+00,\n + 1.0900E+00, 8.4700E-01, 7.2500E-01, 6.3000E-01, 5.5500E-01,\n 6 4.7000E-01, 4.3400E-01, 4.4800E-01, 6.3400E-01,-2.9700E-01,\n + -2.3300E-02,-8.0400E-04, 6.0000E+04, 1.1800E+02, 9.2300E+00,\n 7 9.9200E+00, 4.1200E+01, 3.9100E+01, 1.0600E+01/\n\n DATA ( CL_SSA( 2, IVWC, 2 ), IVWC = 1, MXWVWC ) /\n O 9.4200E-01, 9.8800E-01, 9.2200E-01, 7.0600E-01, 7.1200E-01,\n + 5.1600E-01, 9.7400E-01, 1.0100E+00, 9.7600E-01, 8.4600E-01,\n 1 1.3200E+00, 6.7200E-01, 3.8200E-01, 8.3000E-01, 1.0000E+00,\n + 9.6200E-01, 9.1400E-01, 9.4400E-01, 9.5800E-01, 8.6600E-01,\n 2 8.0800E-01, 1.0600E-01, 1.4000E+00,-4.0000E-02, 4.6600E-01,\n + 3.4000E-01, 8.8000E-02,-2.2400E-01,-2.9400E-01,-2.3400E-01,\n 3 -1.9200E-01,-1.7400E-01,-1.7400E-01,-2.3000E-01,-1.1400E+00,\n + -3.9900E+00,-6.0000E+00, 6.0000E+00, 4.8700E+00,-6.0000E+00,\n 4 -2.8400E+00,-2.1200E+00,-1.9600E+00,-1.8700E+00,-1.8300E+00,\n + -1.8400E+00,-1.7900E+00,-1.5900E+00,-1.2300E+00,-1.6900E+00,\n 5 -2.1400E-01, 9.3600E-01, 4.0400E+00,-2.6700E+00,-1.1600E+00,\n + -8.9000E-01,-7.8200E-01,-7.0800E-01,-6.3400E-01,-5.6000E-01,\n 6 -4.3400E-01,-3.2400E-01,-2.2400E-01,-1.0600E-01, 1.0800E-01,\n + 4.3400E-01, 1.0500E+00,-6.0000E+00,-3.0200E+00,-1.7500E+00,\n 7 -1.7400E+00,-2.2800E+00,-2.1200E+00,-1.3100E+00/\n\n DATA ( CL_SSA( 2, IVWC, 3 ), IVWC = 1, MXWVWC ) /\n O -9.6000E-07, 5.9700E-07,-4.0100E-08,-7.9300E-07,-3.6500E-07,\n + -6.0400E-07,-1.0700E-08, 4.6200E-08, 6.7600E-08,-9.3400E-07,\n 1 3.0800E-06,-8.0300E-06,-6.2200E-05,-1.6400E-05, 4.6500E-05,\n + 5.5000E-05,-3.5700E-05, 1.5700E-04, 7.0500E-04,-4.4300E-04,\n 2 -3.6900E-03,-5.8900E-01, 4.8500E-01, 2.7600E+00,-8.4700E-02,\n + -1.8600E-01,-1.4100E+00, 9.8100E-01, 8.3300E-01, 9.6000E-01,\n 3 1.1000E+00, 1.1900E+00, 1.1900E+00, 9.8300E-01, 5.0900E-01,\n + 4.9300E-01, 5.0200E-01, 5.0200E-01, 5.0000E-01, 4.9300E-01,\n 4 4.8700E-01, 4.9000E-01, 4.9100E-01, 4.9200E-01, 4.9300E-01,\n + 4.9500E-01, 5.0100E-01, 5.2300E-01, 5.6600E-01, 5.1900E-01,\n 5 1.2800E+00, 2.7400E-01, 4.5700E-01, 5.0700E-01, 4.8200E-01,\n + 4.5800E-01, 4.4700E-01, 4.3900E-01, 4.3100E-01, 4.2100E-01,\n 6 3.9500E-01, 3.5900E-01, 2.9400E-01, 6.1900E-02, 9.3500E-01,\n + 6.1000E-01, 5.4400E-01, 5.2100E-01, 5.2300E-01, 5.1500E-01,\n 7 5.1500E-01, 5.1800E-01, 5.0200E-01, 4.1200E-01/\n\n DATA ( CL_SSA( 3, IVWC, 1 ), IVWC = 1, MXWVWC ) /\n O 3.1400E-06, 2.1800E-06, 7.5000E-07, 3.4200E-07, 1.3500E-07,\n + 6.8500E-08, 2.2500E-07, 9.1200E-08, 3.3200E-07, 8.3400E-07,\n 1 2.0300E-05, 6.1600E-06, 6.0900E-06, 3.0800E-05, 1.5000E-04,\n + 3.5800E-04, 7.0300E-04, 1.9700E-03, 3.6500E-03, 1.3200E-02,\n 2 4.8100E-02,-1.1300E+00, 2.1700E-01,-1.1700E+00,-1.6800E+00,\n + -1.5500E+00,-2.8400E+00,-8.6500E+00,-1.1500E+01,-8.5000E+00,\n 3 -6.4900E+00,-5.0900E+00,-4.4100E+00,-4.5000E+00,-4.1900E+01,\n + -1.1500E-04, 3.1900E-01, 4.3400E-01, 4.0300E-01, 1.8200E-01,\n 4 -1.9300E-12,-6.0100E+06,-2.5400E+04,-2.7700E+03,-9.0600E+02,\n + -5.9400E+02,-5.2300E+02,-1.4500E+03,-5.1300E+03,-4.7000E+04,\n 5 -1.7900E+05,-6.3100E+04,-1.8200E+04,-3.5200E-04, 8.6800E-01,\n + 1.0500E+00, 9.6900E-01, 9.2600E-01, 8.8300E-01, 8.4300E-01,\n 6 7.9700E-01, 7.5800E-01, 7.2500E-01, 6.9500E-01, 6.3500E-01,\n + 5.4100E-01, 5.3300E-01,-1.4200E-03,-2.6200E-04,-9.9400E-02,\n 7 -1.2600E-01,-4.5600E-04, 1.1600E-01, 1.6200E+07/\n\n DATA ( CL_SSA( 3, IVWC, 2 ), IVWC = 1, MXWVWC ) /\n O 6.8800E-01, 6.9000E-01, 7.8200E-01, 7.6400E-01, 7.7800E-01,\n + 8.2200E-01, 5.4800E-01, 7.9400E-01, 7.6200E-01, 7.7800E-01,\n 1 3.3200E-01, 6.5200E-01, 7.8800E-01, 7.1200E-01, 6.6000E-01,\n + 6.7000E-01, 6.9000E-01, 6.5000E-01, 6.2800E-01, 5.0600E-01,\n 2 4.0800E-01,-1.3400E-01,-7.4800E-01,-5.4000E-01,-1.6400E-01,\n + -3.5800E-01,-7.6600E-01,-1.2900E+00,-1.4100E+00,-1.2800E+00,\n 3 -1.1600E+00,-1.0400E+00,-9.7600E-01,-9.8800E-01,-2.0200E+00,\n + 1.1500E+00,-6.2000E-01,-7.4400E-01,-7.2200E-01,-3.4000E-01,\n 4 5.2000E+00,-6.0000E+00,-4.2100E+00,-3.4700E+00,-3.0900E+00,\n + -2.9300E+00,-2.8700E+00,-3.1800E+00,-3.5500E+00,-4.3300E+00,\n 5 -4.5500E+00,-4.1900E+00,-3.9900E+00, 9.3800E-01,-8.1000E-01,\n + -8.4800E-01,-8.1400E-01,-7.9200E-01,-7.6800E-01,-7.4400E-01,\n 6 -7.1200E-01,-6.8400E-01,-6.6000E-01,-6.3600E-01,-5.8600E-01,\n + -4.9400E-01,-1.2800E-01, 8.8800E-01, 1.2200E+00, 2.0400E-01,\n 7 1.8600E-01, 1.0900E+00,-3.1600E-01,-6.0000E+00/\n\n DATA ( CL_SSA( 3, IVWC, 3 ), IVWC = 1, MXWVWC ) /\n O -1.1600E-05,-7.6400E-06,-2.3600E-06,-1.0700E-06,-3.9400E-07,\n + -1.4400E-07,-7.0500E-07,-3.1200E-07,-1.0900E-06,-2.2500E-06,\n 1 -4.3200E-05,-2.0400E-05,-1.2300E-05,-9.8200E-05,-5.2000E-04,\n + -1.2100E-03,-2.3400E-03,-6.4500E-03,-1.1500E-02,-3.4400E-02,\n 2 -1.0600E-01, 9.7500E-01, 4.5700E-01, 5.3700E-01, 1.2000E+00,\n + 7.3000E-01, 5.4200E-01, 4.9300E-01, 4.9000E-01, 4.9600E-01,\n 3 5.0300E-01, 5.1300E-01, 5.2000E-01, 5.1900E-01, 4.8200E-01,\n + 4.9700E-01, 4.5900E-01, 4.6100E-01, 4.5700E-01, 4.3300E-01,\n 4 4.8200E-01, 4.8000E-01, 4.8000E-01, 4.8100E-01, 4.8200E-01,\n + 4.8300E-01, 4.8500E-01, 4.8700E-01, 4.8900E-01, 4.8500E-01,\n 5 4.9600E-01, 5.0300E-01, 5.0500E-01, 5.2100E-01, 4.6400E-01,\n + 4.5200E-01, 4.4500E-01, 4.4200E-01, 4.3900E-01, 4.3600E-01,\n 6 4.3200E-01, 4.2900E-01, 4.2700E-01, 4.2400E-01, 4.1900E-01,\n + 4.0800E-01, 1.7100E-01, 5.5100E-01, 5.4400E-01, 7.3800E-01,\n 7 7.7800E-01, 5.5400E-01, 4.9100E-01, 5.1300E-01/\n\n DATA RADBIN_LOWER /\n & 2.5000E+00, 1.2500E+01, 3.0000E+01/\n\n DATA RADBIN_UPPER /\n & 1.2500E+01, 3.0000E+01, 6.0000E+01/\n\n\n INTERFACE\n SUBROUTINE WVBIN_AVERAGE(WL_CS_IN, CS_IN, NWL_CS_IN, \n & WL_QY_IN, QY_IN, NWL_QY_IN, \n & SPECTRA_TYPE,\n & WLL_AVE, WLU_AVE, NWL_AVE, \n & CS_AVE, QY_AVE )\n CHARACTER(1), INTENT( IN ) :: SPECTRA_TYPE ! spectra type\n INTEGER, INTENT( IN ) :: NWL_AVE ! number of intervals average \n INTEGER, INTENT( IN ) :: NWL_CS_IN ! number of intervals CS_IN\n INTEGER, INTENT( IN ) :: NWL_QY_IN ! number of intervals CS_IN\n REAL, INTENT( IN ) :: WL_CS_IN( : ) ! wl for CS_IN\n REAL, INTENT( IN ) :: WL_QY_IN( : ) ! wl for QY_IN\n REAL, INTENT( IN ) :: CS_IN( : ) ! cross-section as f(WLIN)\n REAL, INTENT( IN ) :: QY_IN( : ) ! quantum yield as f(WLIN)\n REAL, INTENT( INOUT ) :: WLL_AVE( : ) ! lower limit on wl effective interval\n REAL, INTENT( INOUT ) :: WLU_AVE( : ) ! upper limit on wl effective interval\n REAL, INTENT( INOUT ) :: CS_AVE( : ) ! cross-section as f(WL_AVE)\n REAL, INTENT( INOUT ) :: QY_AVE( : ) ! quantum yield as f(WL_AVE)\n END SUBROUTINE WVBIN_AVERAGE\n SUBROUTINE WVBIN_AVERAGE_B(WL_CS_IN, CS_IN, NWL_CS_IN, \n\n & WL_QY_IN, QY_IN, NWL_QY_IN, \n & SPECTRA_TYPE,\n & WLL_AVE, WLU_AVE, NWL_AVE, \n & CS_AVE, QY_AVE )\n CHARACTER(1), INTENT( IN ) :: SPECTRA_TYPE ! spectra type\n INTEGER, INTENT( IN ) :: NWL_AVE ! number of intervals average \n INTEGER, INTENT( IN ) :: NWL_CS_IN ! number of intervals CS_IN\n INTEGER, INTENT( IN ) :: NWL_QY_IN ! number of intervals CS_IN\n REAL, INTENT( IN ) :: WL_CS_IN( : ) ! wl for CS_IN\n REAL, INTENT( IN ) :: WL_QY_IN( : ) ! wl for QY_IN\n REAL, INTENT( IN ) :: CS_IN( : ) ! cross-section as f(WLIN)\n REAL, INTENT( IN ) :: QY_IN( : ) ! quantum yield as f(WLIN)\n REAL, INTENT( INOUT ) :: WLL_AVE( : ) ! lower limit on wl effective interval\n REAL, INTENT( INOUT ) :: WLU_AVE( : ) ! upper limit on wl effective interval\n REAL, INTENT( INOUT ) :: CS_AVE( : ) ! cross-section as f(WL_AVE)\n REAL, INTENT( INOUT ) :: QY_AVE( : ) ! quantum yield as f(WL_AVE)\n END SUBROUTINE WVBIN_AVERAGE_B\n END INTERFACE \n\n IF ( FIRST ) THEN\n\n FIRST = .FALSE.\n\nC Read in water cloud optical parameters.\n \n ALLOCATE( WAVE( MXWLIN ), XDUMB( MXWLIN ), ZDUMB( MXWLIN ), \n & YDUMB( MXWLIN) )\n\n ALLOCATE( WAVE_OUTC( MXWLIN ), WAVE_OUTL( MXWLIN ), WAVE_OUTU( MXWLIN ))\n\n ALLOCATE( NEW_CL_ASY( MXSIZ, MXWLIN, MXCOF ), NEW_CL_EXT( MXSIZ, MXWLIN, MXCOF), \n & NEW_CL_SSA( MXSIZ, MXWLIN, MXCOF ))\n \n\n\n\n XDUMB = 1.0\n NDUMB = MXWVWC\n WAVE = 0.0\n WAVE( 1:NDUMB ) = WCWVN( 1:NDUMB )\n\n NEW_CL_EXT = 0.0\n NEW_CL_ASY = 0.0\n NEW_CL_SSA = 0.0\n COEFFS = 0.0\n\n\n! intepolate Fu et al. coefficients from WCCWVN to WAVE\n WRITE(6,99001)'WVL','ISIZ','ICOF','NEW_CL_EXT', 'NEW_CL_ASY',\n & 'NEW_CL_SSA'\n99001 FORMAT(A12,1X,2(A4,1X),6(A12,1X)) \n\n DO I = 1, MXSIZ\n DO J = 1, MXCOF\n\n COEFFS( 1:NDUMB ) = CL_EXT( I, 1:NDUMB, J )\n \n CALL WVBIN_AVERAGE(WAVE, COEFFS, NDUMB, WAVE, XDUMB, NDUMB, 'P',\n & WAVE_OUTL, WAVE_OUTU, MXWLIN, YDUMB, ZDUMB )\n\n NEW_CL_EXT( I, 1:NJO_NEW, J ) = YDUMB( 1:NJO_NEW )\n\n COEFFS( 1:NDUMB ) = CL_ASY( I, 1:NDUMB, J )\n\n \n CALL WVBIN_AVERAGE(WAVE, COEFFS, NDUMB, WAVE, XDUMB, NDUMB, 'P',\n & WAVE_OUTL, WAVE_OUTU, MXWLIN, YDUMB, ZDUMB )\n\n NEW_CL_ASY( I, 1:NJO_NEW, J ) = YDUMB( 1:NJO_NEW )\n\n COEFFS( 1:NDUMB ) = CL_SSA( I, 1:NDUMB, J )\n\n \n CALL WVBIN_AVERAGE(WAVE, COEFFS, NDUMB, WAVE, XDUMB, NDUMB, 'P',\n & WAVE_OUTL, WAVE_OUTU, MXWLIN, YDUMB, ZDUMB )\n\n NEW_CL_SSA( I, 1:NJO_NEW, J ) = YDUMB( 1:NJO_NEW )\n\n DO IVWC = 1, N_INLINE_BAND ! 248, 298, 25\n K = NJO_NEW - N_INLINE_BAND + IVWC \n\n WRITE(6,99002)EFFECTIVE_LAMBDA(K), I, J, \n & NEW_CL_EXT( I, K, J ), NEW_CL_ASY( I, K, J ), NEW_CL_SSA( I, K, J )\n \n99002 FORMAT(es12.4,1X,2(I4,1X),6(es12.4,1X)) \n END DO\n \n END DO\n END DO\n\n DO ISIZE = 1, MXSIZ\n IF( CLOUD_RADIUS_LIQUID .GE. RADBIN_LOWER(ISIZE) .AND.\n & CLOUD_RADIUS_LIQUID .LE. RADBIN_UPPER(ISIZE) )THEN\n EXIT\n ENDIF\n ENDDO\n\n DO I = 1, N_INLINE_BAND ! 248, 298, 25\n K = NJO_NEW - N_INLINE_BAND + I\nC Extinction coefficient\n \n CLOUD_LIQ_EXT( K ) = new_cl_ext(ISIZE,K,1) \n & * CLOUD_RADIUS_LIQUID ** new_cl_ext(ISIZE,K,2) \n & + new_cl_ext(ISIZE,K,3)\n\nC Asymmetry factor\n \n CLOUD_LIQ_ASF( K ) = new_cl_asy(ISIZE,K,1)\n & * CLOUD_RADIUS_LIQUID ** new_cl_asy(ISIZE,K,2)\n & + new_cl_asy(ISIZE,K,3)\n \nC Single scattering albedo\n \n CLOUD_LIQ_SSA( K ) = new_cl_ssa(ISIZE,K,1)\n & * CLOUD_RADIUS_LIQUID ** new_cl_ssa(ISIZE,K,2)\n & + new_cl_ssa(ISIZE,K,3)\n \n CLOUD_LIQ_SSA( K ) = MAX(MIN(1.0, CLOUD_LIQ_SSA( K )), 0.0)\n CLOUD_LIQ_EXT( K ) = MAX(CLOUD_LIQ_EXT( K ), 0.0)\n\n WRITE(6,'(4(es12.4,1X))')EFFECTIVE_LAMBDA(K),CLOUD_LIQ_EXT( K ),CLOUD_LIQ_ASF(K),\n & CLOUD_LIQ_SSA(K)\n\n END DO\n\n DO K = NJO_NEW, 1, -1\n! K = NJO_NEW - N_INLINE_BAND + I\n IF ( EFFECTIVE_LAMBDA(K) .LT. WCWVN( 1 ) )THEN\n! IF ( CLOUD_LIQ_SSA( K ) .LE. 1.0E-6 )THEN\n I_CUTTOFF = K + 1 ! MIN( K + 1, NJO_NEW )\n EXIT\n END IF\n END DO\n \n! IF( WRITE_DATA )OPEN(UNIT=DATA_UNIT, FILE='HU_STAMNES_cloud_optics.dat',\n! & STATUS='UNKNOWN',ERR=98)\n\n! IF( READ_DATA )THEN\n!\n! filenm = 'water_clouds/wc.asy'\n! fullname = filenm\n! OPEN(UNIT=iunit,FILE=fullname,FORM='FORMATTED',STATUS='OLD',ERR=99)\n! DO 100 isize = 1, mxsiz\n! READ(iunit,*) \n! READ(iunit,*) \n! READ(iunit,*) radbin_lower(isize), radbin_upper(isize)\n! READ(iunit,*) \n! DO 101 ivwc = mxwvwc, 1, -1 ! 1, mxwvwc\n! READ(iunit,*) wcwvn(ivwc),\n! $ (cl_asy(isize, ivwc,icof),icof=1,mxcof)\n! 101 CONTINUE\n! IF( WRITE_DATA )THEN\n!write information as FORTRAN data statements\n! IF( ISIZE .EQ. 1)THEN\n! WRITE(DATA_UNIT,3406)\n!3406 FORMAT( /6X, 'DATA WCWVN /' )\n! DO IVWC = 1, MXWVWC\n! WREXT_COEFFS( IVWC ) = DBLE(1000.0*WCWVN( IVWC ))\n! ENDDO\n! CALL WRBF12D ( DATA_UNIT, 5, MXWVWC, WREXT_COEFFS, 'E' )\n! ENDIF\n!3407 FORMAT( /6X, 'DATA ( CL_ASY( ', I3, ', IVWC, ', I3, ' ), IVWC = 1, MXWVWC ) /' )\n! DO ICOF = 1, MXCOF!\n!1 WRITE( DATA_UNIT, 3407 )ISIZE,ICOF\n! DO IVWC = 1, MXWVWC\n! WREXT_COEFFS( IVWC ) = DBLE(CL_ASY( ISIZE, IVWC, ICOF ))\n! ENDDO\n! CALL WRBF12D ( DATA_UNIT, 5, MXWVWC, WREXT_COEFFS, 'E' )\n! ENDDO\n! ENDIF\n! 100 CONTINUE\n! CLOSE(iunit) \n! ENDIF\n \n! IF( READ_DATA )THEN\n!\n! filenm = 'water_clouds/wc.ext'\n! fullname = filenm\n! OPEN(UNIT=iunit,FILE=fullname,FORM='FORMATTED',STATUS='OLD',\n! $ ERR=99 )\n! DO 110 isize = 1, mxsiz\n! READ(iunit,*) \n! READ(iunit,*) \n! READ(iunit,*) radbin_lower(isize), radbin_upper(isize)\n! READ(iunit,*) \n! DO 111 ivwc = mxwvwc, 1, -1 ! 1, mxwvwc\n! READ(iunit,*) wcwvn(ivwc),\n! $ (cl_ext(isize, ivwc,icof),icof=1,mxcof)\n! 111 CONTINUE\n! IF( WRITE_DATA )THEN\n!write information as FORTRAN data statements\n!3408 FORMAT( /6X, 'DATA ( CL_EXT( ', I3, ', IVWC, ', I3, ' ), IVWC = 1, MXWVWC ) /' )\n! DO ICOF = 1, MXCOF\n! WRITE( DATA_UNIT, 3408 )ISIZE,ICOF\n! DO IVWC = 1, MXWVWC\n! WREXT_COEFFS( IVWC ) = DBLE(CL_EXT( ISIZE, IVWC, ICOF ))\n! ENDDO\n! CALL WRBF12D ( DATA_UNIT, 5, MXWVWC, WREXT_COEFFS, 'E' )\n! ENDDO\n! ENDIF \n!110 CONTINUE\n! CLOSE(iunit) \n! ENDIF\n \n! IF( READ_DATA )THEN\n!\n! filenm = 'water_clouds/wc.ssa'\n! fullname = filenm\n! OPEN(UNIT=iunit,FILE=fullname,FORM='FORMATTED',STATUS='OLD',\n! $ ERR=99 )\n! DO 120 isize = 1, mxsiz\n! READ(iunit,*) \n! READ(iunit,*) \n! READ(iunit,*) radbin_lower(isize), radbin_upper(isize)\n! READ(iunit,*) \n! DO 121 ivwc = mxwvwc, 1, -1 ! 1, mxwvwc\n! READ(iunit,*) wcwvn(ivwc),\n! $ (cl_ssa(isize, ivwc,icof),icof=1,mxcof)\n! 121 CONTINUE\n! IF( WRITE_DATA )THEN\n!write information as FORTRAN data statements\n!3409 FORMAT( /6X, 'DATA ( CL_SSA( ', I3, ', IVWC, ', I3, ' ), IVWC = 1, MXWVWC ) /' )\n! DO ICOF = 1, MXCOF\n! WRITE( DATA_UNIT, 3409 )ISIZE,ICOF\n! DO IVWC = 1, MXWVWC\n! WREXT_COEFFS( IVWC ) = DBLE(CL_SSA( ISIZE, IVWC, ICOF ))\n! ENDDO\n! CALL WRBF12D ( DATA_UNIT, 5, MXWVWC, WREXT_COEFFS, 'E' )\n! ENDDO\n! ENDIF \n! 120 CONTINUE\n! CLOSE(iunit) \n! \n! DO ivwc = 1, mxwvwc ! Change from microns to nm\n! wcwvn(ivwc) = wcwvn(ivwc) * 1.0E+03 \n! ENDDO\n! ENDIF\n \n! IF( WRITE_DATA )THEN \n! WRITE(DATA_UNIT,3410)\n!3410 FORMAT( /6X, 'DATA RADBIN_LOWER /' )\n! DO ISIZE = 1, MXSIZ\n! WREXT_COEFFS( ISIZE ) = DBLE(RADBIN_LOWER( ISIZE ))\n! ENDDO\n! CALL WRBF12D ( DATA_UNIT, 5, MXSIZ, WREXT_COEFFS, 'E' )\n! WRITE(DATA_UNIT,3410)\n!3411 FORMAT( /6X, 'DATA RADBIN_UPPER /' )\n! DO ISIZE = 1, MXSIZ\n! WREXT_COEFFS( ISIZE ) = DBLE(RADBIN_UPPER( ISIZE ))\n! ENDDO\n! CALL WRBF12D ( DATA_UNIT, 5, MXSIZ, WREXT_COEFFS, 'E' )\n! CLOSE(DATA_UNIT)\n! ENDIF\n\n\n ENDIF ! FIRST\n\n\n IF(CLOUD_RADIUS_LIQUID .LT. RADBIN_LOWER(1) - 0.01 .OR.\n & CLOUD_RADIUS_LIQUID .GT. RADBIN_UPPER(MXSIZ) + 0.01)THEN\n WRITE(*,*)'Error, in water cloud parameterization Hu and Stamnes'\n WRITE(*,*)'cloud droplet size = ', CLOUD_RADIUS_LIQUID\n WRITE(*,*)'and is greater than 2.5 um or larger than 60 um. '\n STOP\n ENDIF\n\n LOOP_SIZE: DO ISIZE = 1, MXSIZ\n IF( CLOUD_RADIUS_LIQUID .GE. RADBIN_LOWER(ISIZE) .AND.\n & CLOUD_RADIUS_LIQUID .LE. RADBIN_UPPER(ISIZE) )THEN\n EXIT LOOP_SIZE\n ENDIF\n ENDDO LOOP_SIZE\n\n DO 210 ivwc = 1, mxwvwc\n\nC Extinction coefficient\n \n CLOUD_LIQ_EXT(IVWC) = cl_ext(ISIZE,ivwc,1) \n & * CLOUD_RADIUS_LIQUID ** cl_ext(ISIZE,ivwc,2) \n & + cl_ext(ISIZE,ivwc,3)\n\nC Asymmetry factor\n \n CLOUD_LIQ_ASF(IVWC) = cl_asy(ISIZE,ivwc,1)\n & * CLOUD_RADIUS_LIQUID ** cl_asy(ISIZE,ivwc,2)\n & + cl_asy(ISIZE,ivwc,3)\n \nC Single scattering Co-albedo\n \n CLOUD_LIQ_SSA(IVWC) = real( cl_ssa(ISIZE,ivwc,1), 8)\n & * real(CLOUD_RADIUS_LIQUID ** cl_ssa(ISIZE,ivwc,2), 8)\n & + real(cl_ssa(ISIZE,ivwc,3), 8)\n\n! WRITE(6,'(4(es12.4,1X))')wcwvn(ivwc),CLOUD_LIQ_EXT(ivwc),CLOUD_LIQ_ASF(ivwc),CLOUD_LIQ_SSA(ivwc)\n\n\n210 CONTINUE\n\n! convert CLOUD_LIQ_EXI units from (1/km)*(m**3/g) to (1/m)*(m**3/g)\n\n CLOUD_LIQ_EXT = 0.001 * CLOUD_LIQ_EXT \n\n XDUMB = 1.0\n NDUMB = MXWVWC\n WAVE = 0.0\n WAVE( 1:NDUMB ) = WCWVN( 1:NDUMB )\n\n WC_EXT = 0.0\n WC_ASF = 0.0\n WC_SSA = 0.0\n\n CALL WVBIN_AVERAGE(WAVE, CLOUD_LIQ_EXT, NDUMB, WAVE, XDUMB, NDUMB, 'P',\n & WAVE_OUTL, WAVE_OUTU, MXWLIN, YDUMB, ZDUMB )\n\n WC_EXT( 1:NJO_NEW ) = YDUMB( 1:NJO_NEW )\n\n CALL WVBIN_AVERAGE(WAVE, CLOUD_LIQ_ASF, NDUMB, WAVE, XDUMB, NDUMB, 'P',\n & WAVE_OUTL, WAVE_OUTU, MXWLIN, YDUMB, ZDUMB )\n\n WC_ASF( 1:NJO_NEW ) = YDUMB( 1:NJO_NEW )\n\n\n\n CALL WVBIN_AVERAGE(WAVE, CLOUD_LIQ_SSA, NDUMB, WAVE, XDUMB, NDUMB, 'P',\n & WAVE_OUTL, WAVE_OUTU, MXWLIN, YDUMB, XDUMB )\n\n WC_SSA( 1:NJO_NEW ) = YDUMB( 1:NJO_NEW )\n\n IF( I_CUTTOFF .GT. 0 )THEN\n WRITE(6,'(A, 4(es12.4,1X))')'LOWEST Values:',WAVE_OUTL(I_CUTTOFF),WC_EXT(I_CUTTOFF),\n & WC_ASF(I_CUTTOFF),WC_SSA(I_CUTTOFF)\n DO I = 1, I_CUTTOFF-1 \n wc_ext(I) = wc_ext(I_CUTTOFF)\n wc_asf(I) = wc_asf(I_CUTTOFF)\n wc_ssa(I) = wc_ssa(I_CUTTOFF)\n END DO\n END IF\n\n IF( I_CUTTOFF .GT. 0 )PRINT*,' CUTTOFF = ',I_CUTTOFF,' at LAMBDA = ',EFFECTIVE_LAMBDA(I_CUTTOFF)\n DO ivwc=1, NJO_NEW\n WRITE(6,'(A, 4(es12.4,1X))')'Result:',WAVE_OUTL(ivwc),WC_EXT(ivwc),\n & WC_ASF(ivwc),WC_SSA(ivwc)\n END DO\n\n! pause\n RETURN\n \n98 WRITE(6,*)'ERROR opening output file for Hu and Stamnes data'\n STOP\n\n99 WRITE(6,*)'Error during read of file:',fullname\n STOP\n\n END\n" }, { "path": "UTIL/inline_phot_preproc/src/process_csqys.F", "content": "\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE PROCESS_CSQYS ( )\n \nC*********************************************************************\nC\nC the subroutine readcsqy reads the absorption cross section/quantum\nC yield file(s) and writes them to CSQY_DATA (JTABLE_UNIT). The input \nC data are\nC\nC CS(nwl,NPHOTAB) - absorption cross sections for NR species.\nC QY(nwl,NPHOTAB) - quantum yields\nC\nC\nC*********************************************************************\n\n\n USE GET_ENV_VARS\n USE BIN_DATA\n USE CSQY_PARAMETERS\n\n IMPLICIT NONE\n\nC...........PARAMETERS and their descriptions\n \n INTEGER, PARAMETER :: XSTAT1 = 1 ! I/O ERROR exit status\n INTEGER, PARAMETER :: XSTAT2 = 2 ! I/O ERROR exit status\n\nC...........LOCAL VARIABLES and their descriptions:\n \n\n CHARACTER(16) :: PNAME = 'PROCESS_CSQYS' ! program name\n\n CHARACTER(16) :: PHOTID ! reaction id's\n CHARACTER(16) :: SPECTRA_NAME ! JVALUES name\n CHARACTER( 1) :: SPECTRA_TYPE ! cs/qy spectra type\n CHARACTER(25) :: CSQY_LABEL\n \n CHARACTER(255) :: EQNAME ! name of environment varaible\n CHARACTER(586) :: CSQY_DATA_RAW = 'CSQY_DATA_RAW' ! directory for CSQY data\n CHARACTER(600) :: CQFILE ! input filename buffer\n CHARACTER(132) :: MSG = ' ' ! message\n CHARACTER(120) :: FILE_LINE\n\n LOGICAL, SAVE :: WRITE_AE_REFRACT = .FALSE. ! .FALSE.\n\n CHARACTER( 5 ) :: WVL_AE_REFRAC\n CHARACTER( 13 ) :: AERO_INDEX = 'WVL_AE_REFRAC'\n\n INTEGER IWL ! wavelength index\n INTEGER NWL ! # of wlbands\n INTEGER NWLIN ! # of wlbands (infile)\n INTEGER IPHOT ! reaction index\n INTEGER CQUNIT ! cross section/qy io unit\n INTEGER IOST ! io status\n INTEGER LASTNB1\n INTEGER LASTNB2\n\n REAL STWL ( MXWL ) ! wavelength band lower limit\n REAL ENDWL( MXWL ) ! wavelength band upper limit\n REAL CS( MXWL, NPHOTAB ) ! output absorp. cross sections\n REAL QY( MXWL, NPHOTAB ) ! output quantum yields\n\n REAL FACTOR ! multiplying factor for CS\n REAL WLIN ( MXWLIN ) ! wl for input cs/qy data\n REAL CSIN ( MXWLIN ) ! raw absorption cross sections\n REAL QYIN ( MXWLIN ) ! raw quantum yields\n REAL CSOUT( MXWL ) ! integrated absorp. cross sect.\n REAL QYOUT( MXWL ) ! integrated quantum yields\n\n REAL :: WLL_AVE( MXWL ) ! lower limit on wl int ETin\n REAL :: WLU_AVE( MXWL ) ! upper limit on wl int ETin\n\nC...........EXTERNAL FUNCTIONS and their descriptions:\n\n INTEGER JUNIT ! used to get next IO unit #\n INTEGER :: NWL_AVE\n\n LOGICAL :: EXISTS\n\n\n INTERFACE \n SUBROUTINE WRT_CSQY_DATA( WLIN, CS_IN, QY_IN, NWLIN, SPECTRA_NAME, SPECTRA_TYPE,\n & WLL_AVE, WLU_AVE, CS_AVE, QY_AVE, NWL_AVE )\n CHARACTER( 1), INTENT( IN ) :: SPECTRA_TYPE ! spectra type\n CHARACTER(16), INTENT( IN ) :: SPECTRA_NAME ! spectra type\n INTEGER, INTENT( IN ) :: NWLIN ! number of intervals CQin\n REAL, INTENT( IN ) :: WLIN ( : ) ! wl for CQin\n REAL, INTENT( IN ) :: CS_IN( : ) ! cross-section as f(WLIN)\n REAL, INTENT( IN ) :: QY_IN( : ) ! quantum yield as f(WLIN)\n REAL, INTENT( OUT) :: WLL_AVE( : ) ! lower limit on wl int ETin\n REAL, INTENT( OUT ) :: WLU_AVE( : ) ! upper limit on wl int ETin\n REAL, INTENT( OUT ) :: CS_AVE( : ) ! cross-section as f(WL_AVE)\n REAL, INTENT( OUT ) :: QY_AVE( : ) ! quantum yield as f(WL_AVE)\n INTEGER, INTENT( OUT ) :: NWL_AVE\n END SUBROUTINE WRT_CSQY_DATA\n SUBROUTINE WRT_CSQY_DATA_ONLY( WLIN, CS_IN, QY_IN, NWLIN, SPECTRA_NAME, SPECTRA_TYPE,\n & WLL_AVE, WLU_AVE, CS_AVE, QY_AVE, NWL_AVE )\n CHARACTER( 1), INTENT( IN ) :: SPECTRA_TYPE ! spectra type\n CHARACTER(16), INTENT( IN ) :: SPECTRA_NAME ! spectra type\n INTEGER, INTENT( IN ) :: NWLIN ! number of intervals CQin\n REAL, INTENT( IN ) :: WLIN ( : ) ! wl for CQin\n REAL, INTENT( IN ) :: CS_IN( : ) ! cross-section as f(WLIN)\n REAL, INTENT( IN ) :: QY_IN( : ) ! quantum yield as f(WLIN)\n REAL, INTENT( OUT) :: WLL_AVE( : ) ! lower limit on wl int ETin\n REAL, INTENT( OUT ) :: WLU_AVE( : ) ! upper limit on wl int ETin\n REAL, INTENT( OUT ) :: CS_AVE( : ) ! cross-section as f(WL_AVE)\n REAL, INTENT( OUT ) :: QY_AVE( : ) ! quantum yield as f(WL_AVE)\n INTEGER, INTENT( OUT ) :: NWL_AVE\n END SUBROUTINE WRT_CSQY_DATA_ONLY\n END INTERFACE\n\nC*********************************************************************\nC begin body of subroutine READCSQY\n\nC...get a unit number for CSQY files\n\n CQUNIT = 125\n\n CALL INIT_CXQY_MODULE()\n\nC...loop over the number of reactions, reading each file\n\n DO 801 IPHOT = 1, NPHOTAB\n\nC...open input file\n\n CQFILE = PHOTAB( IPHOT )\n LASTNB1 = LEN_TRIM( CQFILE )\n SPECTRA_NAME = TRIM( CQFILE )\n\n EQNAME = 'CSQY_DATA_RAW'\n LASTNB2 = LEN_TRIM( EQNAME )\n EQNAME = TRIM( CSQY_DATA_RAW )\n CALL VALUE_NAME( EQNAME, CSQY_DATA_RAW ) \n CQFILE = TRIM( CSQY_DATA_RAW ) // '/' // TRIM( CQFILE )\n\n INQUIRE( FILE = CQFILE, EXIST = EXISTS )\n\n IF( .NOT. EXISTS )THEN\n MSG = 'Data file, ' // TRIM( CQFILE ) // ', not found.'\n WRITE(*,*)MSG\n STOP\n END IF\n\n\n OPEN( UNIT = CQUNIT,\n & FILE = CQFILE,\n & STATUS = 'OLD',\n & IOSTAT = IOST )\n \n\nC...check for open errors\n\n IF ( IOST .NE. 0) THEN\n MSG = 'Could not open ' // PHOTAB( IPHOT ) // ' data file'\n WRITE(*,*)MSG\n STOP\n END IF\n\n WRITE( 6, 2001 ) CQUNIT, CQFILE\n\n\nC...read photolysis subgroup id\n\n READ( CQUNIT, '(A)', IOSTAT = IOST ) PHOTID\n\n\n!!!!!!! IOST = 0\n\n IF( PHOT_PROCESS( IPHOT ))THEN\n WRITE(MODULE_UNIT,'(A)')'C...' // TRIM( PHOTAB(IPHOT) )\n ENDIF\n\nC...check for read errors\n\n IF ( IOST .GT. 0) THEN\n MSG = 'Errors occurred while reading PHOTID for ' //\n & PHOTAB( IPHOT )\n WRITE(*,*)MSG\n STOP\n ELSE IF ( IOST .LT. 0) THEN\n MSG = 'Premature End of File reached while reading PHOTID for ' //\n & PHOTAB( IPHOT )\n WRITE(*,*)MSG\n STOP\n END IF\n\nC...get type of data (e.g. centered, beginning, ending, or point wavelen\n\n101 CONTINUE\n\n READ( CQUNIT, '(A)', IOSTAT = IOST ) FILE_LINE\n\n SPECTRA_TYPE = FILE_LINE(1:1)\n\nC...check for read errors\n\n IF ( IOST .NE. 0) THEN\n MSG = 'Errors occurred while reading SPECTRA for ' //\n & PHOTAB( IPHOT )\n WRITE(*,*)MSG\n STOP\n END IF\n\n IF ( SPECTRA_TYPE .EQ. '!' )THEN\n FILE_LINE(1:1) = ' '\n IF( PHOT_PROCESS( IPHOT ))THEN\n WRITE(MODULE_UNIT,'(A)')'C..' // TRIM(FILE_LINE)\n ENDIF\n GO TO 101\n ENDIF\n\nC...read the factor to multiply cross sectionS by\n\n READ( CQUNIT, 1005, IOSTAT = IOST ) FACTOR\n! READ( CQUNIT, *, IOSTAT = IOST ) FACTOR\n\n\nC...check for read errors\n\n IF ( IOST .NE. 0) THEN\n MSG = 'Errors occurred while reading FACTOR for ' //\n & PHOTAB( IPHOT )\n WRITE(*,*)MSG\n STOP\n END IF\n\n\nC...reinitialize arrays\n\n DO IWL = 1, MXWLIN\n WLIN( IWL ) = 0.0\n CSIN( IWL ) = 0.0\n QYIN( IWL ) = 0.0\n END DO\nC...loop over the number of wavelengths and continue reading\n\n IWL = 0\n201 CONTINUE\n\n IWL = IWL + 1\n READ( CQUNIT, *, IOSTAT = IOST ) WLIN( IWL ), CSIN( IWL ),\n & QYIN( IWL )\n CSIN( IWL ) = CSIN( IWL ) * FACTOR\n\n \nC...check for read errors\n IF ( IOST .GT. 0) THEN\n MSG = 'Errors occurred while reading WL,CS,QY for ' //\n & PHOTAB( IPHOT )\n WRITE(*,*)MSG\n STOP\n END IF\n\nC...end loop if we reach EOF, otherwise continue looping\n\n IF ( IOST .EQ. 0 ) GO TO 201\n\nC...adjust loop counter index index and close file\n\n NWLIN = IWL - 1\n CLOSE( CQUNIT )\n DO IWL = 2, NWLIN\n IF( WLIN( IWL ) .LE. WLIN( IWL-1 ) )THEN\n WRITE(6,'(3(A/))') TRIM( CQFILE ) // ': contains the below error',\n & 'consequentives lines with equal or decrease wavelengths',\n & 'Last two lines read:'\n WRITE(6,*) WLIN( IWL-1 ), CSIN( IWL-1 ), QYIN( IWL-1 )\n WRITE(6,*) WLIN( IWL ), CSIN( IWL ), QYIN( IWL )\n STOP\n END IF\n END DO\nC...transform the cs data to the same wavelength intervals as\nC... the irradiance data.\n\n\n WRITE(6,*)'For ',TRIM( SPECTRA_NAME ),' SPECTRA_TYPE is ',TRIM(SPECTRA_TYPE)\n \n IF(SPLIT_OUTPUTS)THEN\n CALL WRT_CSQY_DATA_ONLY( WLIN, CSIN, QYIN, NWLIN, SPECTRA_NAME, \n & SPECTRA_TYPE, WLL_AVE, WLU_AVE, CSOUT, QYOUT, NWL_AVE)\n ELSE\n! use WRT_CSQY_DATA if the old version of CSQY_DATA is wanted.\n CALL WRT_CSQY_DATA( WLIN, CSIN, QYIN, NWLIN, SPECTRA_NAME, \n & SPECTRA_TYPE, WLL_AVE, WLU_AVE, CSOUT, QYOUT, NWL_AVE) \n END IF\n \n\nC...load output arrays with integrated data\n NWL = N_INLINE_BAND\n\n DO IWL = 1, NWL\n CS( IWL, IPHOT ) = CSOUT( IWL )\n QY( IWL, IPHOT ) = QYOUT( IWL )\n END DO\n\n\n801 CONTINUE\n \n IF( NPHOTAB .EQ. 0 )THEN\n SPECTRA_TYPE = 'NULL'\n WLIN = 0.0; CSIN = 0.0; NWLIN = 0; SPECTRA_NAME = 'NULL'\n IF(SPLIT_OUTPUTS)THEN\n CALL WRT_CSQY_DATA_ONLY( WLIN, CSIN, QYIN, NWLIN, SPECTRA_NAME,\n & SPECTRA_TYPE, WLL_AVE, WLU_AVE, CSOUT, QYOUT, NWL_AVE)\n ELSE\n! use WRT_CSQY_DATA if the old version of CSQY_DATA is wanted.\n CALL WRT_CSQY_DATA( WLIN, CSIN, QYIN, NWLIN, SPECTRA_NAME,\n & SPECTRA_TYPE, WLL_AVE, WLU_AVE, CSOUT, QYOUT, NWL_AVE)\n END IF\n END IF\n\n RETURN\nC...formats\n\n1001 FORMAT( A )\n1003 FORMAT( A1 )\n1005 FORMAT( /, 4X, F10.1 )\n\n2001 FORMAT( 1X, '...Opening File on UNIT ', I2, /, 1X, A255 )\n2003 FORMAT( 1X, '...Data for ', I4, ' wavelengths read from file',\n & // )\n\n END\n" }, { "path": "UTIL/inline_phot_preproc/src/read_jproc_csqy.F", "content": "\nC***********************************************************************\nC Portions of Models-3/CMAQ software were developed or based on *\nC information from various groups: Federal Government employees, *\nC contractors working on a United States Government contract, and *\nC non-Federal sources (including research institutions). These *\nC research institutions have given the Government permission to *\nC use, prepare derivative works, and distribute copies of their *\nC work in Models-3/CMAQ to the public and to permit others to do *\nC so. EPA therefore grants similar permissions for use of the *\nC Models-3/CMAQ software, but users are requested to provide copies *\nC of derivative works to the Government without restrictions as to *\nC use by others. Users are responsible for acquiring their own *\nC copies of commercial software associated with Models-3/CMAQ and *\nC for complying with vendor requirements. Software copyrights by *\nC the MCNC Environmental Modeling Center are used with their *\nC permissions subject to the above restrictions. *\nC***********************************************************************\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/work/rep/JPROC/src/driver/jproc_table/readcsqy.F,v 1.4 2002/04/15 18:00:46 yoj Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC @(#)readcsqy.F\t1.4 /project/mod3/JPROC/src/driver/jproc_table/SCCS/s.readcsqy.F 04 Jul 1997 09:39:29\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE READCSQY ( )\n \nC*********************************************************************\nC\nC the subroutine readcsqy reads the absorption cross section/quantum\nC yield file(s). The input data are\nC\nC CS(nwl,NPHOTAB) - absorption cross sections for NR species.\nC QY(nwl,NPHOTAB) - quantum yields\nC\nC\nC*********************************************************************\n\n\n USE BIN_DATA\n USE JPROC_PROFILE\n\n IMPLICIT NONE\n\nC...........PARAMETERS and their descriptions\n \n INTEGER, PARAMETER :: XSTAT1 = 1 ! I/O ERROR exit status\n INTEGER, PARAMETER :: XSTAT2 = 2 ! I/O ERROR exit status\n\nC...........LOCAL VARIABLES and their descriptions:\n \n\n CHARACTER(16) :: PNAME = 'READ_JPROC_CSQY' ! program name\n CHARACTER(16) :: CQDIR = 'CSQY' ! directory for CSQY data\n\n CHARACTER(16) :: PHOTID ! reaction id's\n CHARACTER(16) :: SPECTRA_NAME ! JVALUES name\n CHARACTER( 1) :: SPECTRA_TYPE ! cs/qy spectra type\n CHARACTER(25) :: CSQY_LABEL\n \n CHARACTER(255) :: EQNAME\n CHARACTER( 80) :: CQFILE ! input filename buffer\n CHARACTER( 80) :: MSG = ' ' ! message\n CHARACTER(120) :: FILE_LINE\n\n INTEGER IWL ! wavelength index\n INTEGER NWL ! # of wlbands\n INTEGER NWLIN ! # of wlbands (infile)\n INTEGER IPHOT ! reaction index\n INTEGER CQUNIT ! cross section/qy io unit\n INTEGER IOST ! io status\n INTEGER LASTNB1\n INTEGER LASTNB2\n\n REAL STWL ( MXWL ) ! wavelength band lower limit\n REAL ENDWL( MXWL ) ! wavelength band upper limit\n REAL CS( MXWL, NPHOTAB ) ! output absorp. cross sections\n REAL QY( MXWL, NPHOTAB ) ! output quantum yields\n\n REAL FACTOR ! multiplying factor for CS\n REAL WLIN ( MXWLIN ) ! wl for input cs/qy data\n REAL CSIN ( MXWLIN ) ! raw absorption cross sections\n REAL QYIN ( MXWLIN ) ! raw quantum yields\n REAL CSOUT( MXWL ) ! integrated absorp. cross sect.\n REAL QYOUT( MXWL ) ! integrated quantum yields\n\n REAL :: WLL_AVE( MXWL ) ! lower limit on wl int ETin\n REAL :: WLU_AVE( MXWL ) ! upper limit on wl int ETin\n\nC...........EXTERNAL FUNCTIONS and their descriptions:\n\n INTEGER JUNIT ! used to get next IO unit #\n INTEGER :: NWL_AVE\n\n\n INTERFACE \n SUBROUTINE WRT_CSQY_DATA( WLIN, CS_IN, QY_IN, NWLIN, SPECTRA_NAME, SPECTRA_TYPE,\n & WLL_AVE, WLU_AVE, CS_AVE, QY_AVE, NWL_AVE )\n USE JPROC_PHOT_DATA\n IMPLICIT NONE \n CHARACTER( 1), INTENT( IN ) :: SPECTRA_TYPE ! spectra type\n CHARACTER(16), INTENT( IN ) :: SPECTRA_NAME ! spectra type\n INTEGER, INTENT( IN ) :: NWLIN ! number of intervals CQin\n REAL, INTENT( IN ) :: WLIN ( MXWLIN ) ! wl for CQin\n REAL, INTENT( IN ) :: CS_IN( MXWLIN ) ! cross-section as f(WLIN)\n REAL, INTENT( IN ) :: QY_IN( MXWLIN ) ! quantum yield as f(WLIN)\n REAL, INTENT( OUT) :: WLL_AVE( MXWL ) ! lower limit on wl int ETin\n REAL, INTENT( OUT ) :: WLU_AVE( MXWL ) ! upper limit on wl int ETin\n REAL, INTENT( OUT ) :: CS_AVE( MXWL ) ! cross-section as f(WL_AVE)\n REAL, INTENT( OUT ) :: QY_AVE( MXWL ) ! quantum yield as f(WL_AVE)\n INTEGER, INTENT( OUT ) :: NWL_AVE\n END SUBROUTINE WRT_CSQY_DATA\n END INTERFACE\n\nC*********************************************************************\nC begin body of subroutine READCSQY\n\nC...get a unit number for CSQY files\n\n CQUNIT = 125\n\n CALL INIT_CXQY_MODULE()\n\nC...loop over the number of reactions, reading each file\n\n DO 801 IPHOT = 1, NPHOTAB\n\nC...open input file\n\n CQFILE = PHOTAB( IPHOT )\n LASTNB1 = LEN_TRIM( CQFILE )\n! SPECTRA_NAME = CQFILE( 1:LASTNB1 )\n SPECTRA_NAME = TRIM( CQFILE )\n\n EQNAME = 'CSQY_DATA_RAW'\n LASTNB2 = LEN_TRIM( EQNAME )\n! CQFILE = EQNAME( 1:LASTNB2 ) // '/' // CQFILE( 1:LASTNB1 )\n CQFILE = TRIM( EQNAME ) // '/' // TRIM( CQFILE )\n\n\n OPEN( UNIT = CQUNIT,\n & FILE = CQFILE,\n & STATUS = 'OLD',\n & IOSTAT = IOST )\n\n OPEN( UNIT = CSQY_UNIT,\n & FILE = 'CSQY_BLOCK.dat',\n & STATUS = 'UNKNOWN',\n & IOSTAT = IOST )\n \n\nC...check for open errors\n\n IF ( IOST .NE. 0) THEN\n MSG = 'Could not open ' // PHOTAB( IPHOT ) // ' data file'\n WRITE(*,*)MSG\n\t STOP\n END IF\n\n WRITE( 6, 2001 ) CQUNIT, CQFILE\n\n\nC...read photolysis subgroup id\n\n READ( CQUNIT, 1001, IOSTAT = IOST ) PHOTID\n\n\n\n IF( PHOT_PROCESS( IPHOT ))THEN\n WRITE(MODULE_UNIT,'(A)')'C...' // TRIM( PHOTAB(IPHOT) )\n ENDIF\n\nC...check for read errors\n\n IF ( IOST .NE. 0) THEN\n MSG = 'Errors occurred while reading PHOTID for ' //\n & PHOTAB( IPHOT )\n WRITE(*,*)MSG\n\t STOP\n END IF\n\nC...get type of data (e.g. centered, beginning, ending, or point wavelen\n\n101 CONTINUE\n\n READ( CQUNIT, '(A)', IOSTAT = IOST ) FILE_LINE\n\n SPECTRA_TYPE = FILE_LINE(1:1)\n\nC...check for read errors\n\n IF ( IOST .NE. 0) THEN\n MSG = 'Errors occurred while reading SPECTRA for ' //\n & PHOTAB( IPHOT )\n WRITE(*,*)MSG\n\t STOP\n END IF\n\n IF ( SPECTRA_TYPE .EQ. '!' )THEN\n FILE_LINE(1:1) = ' '\n IF( PHOT_PROCESS( IPHOT ))THEN\n WRITE(MODULE_UNIT,'(A)')'C..' // TRIM(FILE_LINE)\n ENDIF\n GO TO 101\n ENDIF\n\nC...read the factor to multiply cross sectionS by\n\n READ( CQUNIT, 1005, IOSTAT = IOST ) FACTOR\n\n\nC...check for read errors\n\n IF ( IOST .NE. 0) THEN\n MSG = 'Errors occurred while reading FACTOR for ' //\n & PHOTAB( IPHOT )\n WRITE(*,*)MSG\n\t STOP\n END IF\n\n\nC...reinitialize arrays\n\n DO IWL = 1, MXWLIN\n WLIN( IWL ) = 0.0\n CSIN( IWL ) = 0.0\n QYIN( IWL ) = 0.0\n END DO\nC...loop over the number of wavelengths and continue reading\n\n IWL = 0\n201 CONTINUE\n\n IWL = IWL + 1\n READ( CQUNIT, *, IOSTAT = IOST ) WLIN( IWL ), CSIN( IWL ),\n & QYIN( IWL )\n CSIN( IWL ) = CSIN( IWL ) * FACTOR\n\n \nC...check for read errors\n\n IF ( IOST .GT. 0) THEN\n MSG = 'Errors occurred while reading WL,CS,QY for ' //\n & PHOTAB( IPHOT )\n WRITE(*,*)MSG\n\t STOP\n END IF\n\nC...end loop if we reach EOF, otherwise continue looping\n\n IF ( IOST .EQ. 0 ) GO TO 201\n\nC...adjust loop counter index index and close file\n\n NWLIN = IWL - 1\n CLOSE( CQUNIT )\n\nC...transform the cs data to the same wavelength intervals as\nC... the irradiance data.\n\n\n WRITE(6,*)'For ',TRIM( SPECTRA_NAME ),' SPECTRA_TYPE is ',TRIM(SPECTRA_TYPE)\n \n CALL WRT_CSQY_DATA( WLIN, CSIN, QYIN, NWLIN, SPECTRA_NAME, \n & SPECTRA_TYPE, WLL_AVE, WLU_AVE, CSOUT, QYOUT, NWL_AVE)\n \n\nC...load output arrays with integrated data\n NWL = N_INLINE_BAND\n\n DO IWL = 1, NWL\n CS( IWL, IPHOT ) = CSOUT( IWL )\n QY( IWL, IPHOT ) = QYOUT( IWL )\n END DO\n\n\n801 CONTINUE\n \n\nC...formats\n\n1001 FORMAT( A16 )\n1003 FORMAT( A1 )\n1005 FORMAT( /, 4X, F10.1 )\n\n2001 FORMAT( 1X, '...Opening File on UNIT ', I2, /, 1X, A255 )\n2003 FORMAT( 1X, '...Data for ', I4, ' wavelengths read from file',\n & // )\n\n RETURN\n END\n" }, { "path": "UTIL/inline_phot_preproc/src/spectral_reflect.f", "content": " SUBROUTINE SPECTRAL_REFLECT(MODIS_ALBEDO)\n\n! PURPOSE: Populate array ALBEDO with wavelength dependent reflectances (i.e.\n!\t spectral albedos) for 20 MODIS land use types. Also returns correction factors\n! for solar zenith angle and season. Note that an adjustment is applied to \n! better match spectral estimates for each land use type.\n\n! REFERENCE: CERES/SARB Surface Properties database, May 2006\n! http://www-surf/larc.nasa.gov/surf/pages/data-page.html\n\n! INPUT: \tSOLAR_ZENITH [deg]\n! OUTPUT: \tNWAVE \n! ALBEDO(20,15)\n! CALLS: \tnone\n! CALLED BY: \tveg\n \n USE BIN_DATA\n USE CSQY_PARAMETERS\n USE ALBEDO_REFER_DATA\n \n IMPLICIT NONE \n\n REAL, INTENT( OUT ) :: MODIS_ALBEDO( :, :)\n\n INTEGER NWAVE\n INTEGER NUSES\n\n REAL(4) :: SCRATCH_ALBEDO(NUMB_BANDS_MODIS)\n\n REAL(4) :: ALBEDO_WAVE(NUMB_BANDS_MODIS)\n\n REAL(4) :: SOLAR_ZENITH, COSZEN\n\n REAL(8) :: PI\n\n REAL(4) :: ZENITH_CORRECTION\n\n INTEGER :: NDUMB\n REAL, ALLOCATABLE :: WAVE( : ), XDUMB( : ), YDUMB( : ), ZDUMB( : )\n REAL, ALLOCATABLE :: WAVE_OUTL( : ), WAVE_OUTU( : ), WAVE_OUTC( : )\n\n INTEGER I, J, K\n INTEGER I_CUTTOFF\n \n INTEGER :: IWL\n\n INTERFACE\n SUBROUTINE WVBIN_AVERAGE(WL_CS_IN, CS_IN, NWL_CS_IN, \n & WL_QY_IN, QY_IN, NWL_QY_IN, \n & SPECTRA_TYPE,\n & WLL_AVE, WLU_AVE, NWL_AVE, \n & CS_AVE, QY_AVE )\n CHARACTER(1), INTENT( IN ) :: SPECTRA_TYPE ! spectra type\n INTEGER, INTENT( IN ) :: NWL_AVE ! number of intervals average \n INTEGER, INTENT( IN ) :: NWL_CS_IN ! number of intervals CS_IN\n INTEGER, INTENT( IN ) :: NWL_QY_IN ! number of intervals CS_IN\n REAL, INTENT( IN ) :: WL_CS_IN( : ) ! wl for CS_IN\n REAL, INTENT( IN ) :: WL_QY_IN( : ) ! wl for QY_IN\n REAL, INTENT( IN ) :: CS_IN( : ) ! cross-section as f(WLIN)\n REAL, INTENT( IN ) :: QY_IN( : ) ! quantum yield as f(WLIN)\n REAL, INTENT( INOUT ) :: WLL_AVE( : ) ! lower limit on wl effective interval\n REAL, INTENT( INOUT ) :: WLU_AVE( : ) ! upper limit on wl effective interval\n REAL, INTENT( INOUT ) :: CS_AVE( : ) ! cross-section as f(WL_AVE)\n REAL, INTENT( INOUT ) :: QY_AVE( : ) ! quantum yield as f(WL_AVE)\n END SUBROUTINE WVBIN_AVERAGE\n SUBROUTINE WVBIN_AVERAGE_B(WL_CS_IN, CS_IN, NWL_CS_IN, \n & WL_QY_IN, QY_IN, NWL_QY_IN, \n & SPECTRA_TYPE,\n & WLL_AVE, WLU_AVE, NWL_AVE, \n & CS_AVE, QY_AVE )\n CHARACTER(1), INTENT( IN ) :: SPECTRA_TYPE ! spectra type\n INTEGER, INTENT( IN ) :: NWL_AVE ! number of intervals average \n INTEGER, INTENT( IN ) :: NWL_CS_IN ! number of intervals CS_IN\n INTEGER, INTENT( IN ) :: NWL_QY_IN ! number of intervals CS_IN\n REAL, INTENT( IN ) :: WL_CS_IN( : ) ! wl for CS_IN\n REAL, INTENT( IN ) :: WL_QY_IN( : ) ! wl for QY_IN\n REAL, INTENT( IN ) :: CS_IN( : ) ! cross-section as f(WLIN)\n REAL, INTENT( IN ) :: QY_IN( : ) ! quantum yield as f(WLIN)\n REAL, INTENT( INOUT ) :: WLL_AVE( : ) ! lower limit on wl effective interval\n REAL, INTENT( INOUT ) :: WLU_AVE( : ) ! upper limit on wl effective interval\n REAL, INTENT( INOUT ) :: CS_AVE( : ) ! cross-section as f(WL_AVE)\n REAL, INTENT( INOUT ) :: QY_AVE( : ) ! quantum yield as f(WL_AVE)\n END SUBROUTINE WVBIN_AVERAGE_B\n END INTERFACE \n\n ALLOCATE(WAVE(MXWLIN), XDUMB(MXWLIN), ZDUMB(MXWLIN), YDUMB(MXWLIN))\n\n ALLOCATE(WAVE_OUTC(MXWLIN), WAVE_OUTL(MXWLIN), WAVE_OUTU(MXWLIN))\n\n NWAVE = NUMB_BANDS_MODIS\n NUSES = NUMB_LANDUSE_MODIS\n\n MODIS_ALBEDO = 0.0\n\n PI = DACOS(-1.D0)\n\n!The following loops indicate use LUC (as \"j), and band (as \"i\")\n\n COSZEN = 0.5 ! dcos((pi/180.d0)*SOLAR_ZENITH)\n\n SOLAR_ZENITH = PI/180.0D0*DACOS(0.5D0)\n\n DO I = NJO_NEW, 1, -1\n IF ( EFFECTIVE_LAMBDA(I) .LT. WVBAND( 1 ) )THEN\n I_CUTTOFF = I\n EXIT\n END IF\n END DO\n\n DO 270 J = 1, NUMB_LANDUSE_MODIS\n \n DO 250 I = 1, NUMB_BANDS_MODIS\n\n ALBEDO_WAVE(I) = WVBAND( I )\n\n ZENITH_CORRECTION = (1.0 + ZENITH_COEFF(J))\n & / (1.0 + 2.0*COSZEN*ZENITH_COEFF(J))\n\n ZENITH_CORRECTION = MAX(0.8, ZENITH_CORRECTION)\n\n SCRATCH_ALBEDO( I ) = MIN(1.0, \n & (ZENITH_CORRECTION*SPECTRAL_ALBEDO( I, J)))\n\n IF((MODIS2SPECTRAL( J )*SCRATCH_ALBEDO( I )).LE. 1.0)THEN\n SCRATCH_ALBEDO( I ) = MODIS2SPECTRAL( J )\n & * SCRATCH_ALBEDO( I )\n ELSE\n SCRATCH_ALBEDO( I ) = 1.0\n ENDIF\n\n! print*,landuse(j),ALBEDO_WAVE(I),SCRATCH_ALBEDO( I )\t \n250 CONTINUE\n\n XDUMB = 1.0\n NDUMB = NUMB_BANDS_MODIS\n WAVE = 0.0\n WAVE( 1:NDUMB ) = ALBEDO_WAVE( 1:NDUMB )\n\n CALL WVBIN_AVERAGE(WAVE, SCRATCH_ALBEDO, NDUMB, WAVE, XDUMB, NDUMB, \n & 'P', WAVE_OUTL, WAVE_OUTU, MXWLIN, YDUMB, ZDUMB )\n\n MODIS_ALBEDO( 1:NJO_NEW, J) = YDUMB( 1:NJO_NEW )\n MODIS_ALBEDO( 1:I_CUTTOFF, J) = YDUMB( I_CUTTOFF + 1 )\n\n! DO I = 1, NJO_NEW\n! WRITE(6,'(3(es12.4,1x))')STWL_NEW(i),MODIS_ALBEDO( I, J), YDUMB(I)\n! ENDDO\n! pause\n270 CONTINUE\n\n\n \n\n RETURN\n END\n" }, { "path": "UTIL/inline_phot_preproc/src/vegeland_s.f", "content": " program veg\n\n! PURPOSE: For specified photolysis module (\"INLINE\", or \"SPHERAD\"),\n! and for specified solar zenith angle (sza), Julian day (jd), and\n! snow flag (snowflag), returns reflectances (spectral albedos) for \n! each of 3 landuse categorization schemes (NLCD, USGS, and MODIS) \n! that are specific to the solar zenith angle, Julian day, snow \n! conditions,and the spectral bin structure of the photolysis module.\n\n! ADVISORY:\tThis module should be called when sza, jd, or snowflag changes\n\n! DEVELOPED:\tAugust 2010. John Streicher USEPA/ORD/NERL/AMAD\n\n! INPUT: \trtmodule,sza[deg],jd [integer],snowflag [0=no;1=yes]\n! OUTPUT:\treflectance\n! CALLS:\treflectances,season_correction,spectralalbedo,mapalbedo\n! CALLED BY:\tmain\n\n implicit none\n character*7 rtmodule\n integer jd,snowflag,n,isza,i\n \n real*4 sza,specalbsza(20,15,2),specalbszassn(20,15,2)\n & ,bin_spectra(50,50,2),nlcd_spectra(50,50,2)\n & ,usgs_spectra(50,50,2),modis_spectra(50,50,2)\n\n! The following (sza; rtmodule='INLINE', or 'SPHERAD'; jd; snowflag) \n! are temporarily hardcoded. \n! Replace with user-selected values when incorporated into MCIP or WRF-CMAQ.\n\n\n rtmodule = 'INLINE'\n sza = 30. \n jd = 180\n snowflag = 0\n \n call reflectances(sza\n & ,specalbsza)\n\n call season_correction(specalbsza,jd,snowflag\n & ,specalbszassn)\n\n call spectralalbedo(specalbszassn,rtmodule\n & ,n,bin_spectra )\n \n call mapalbedo(n,bin_spectra\n & ,nlcd_spectra,usgs_spectra,modis_spectra )\n \n \n stop\n end\n!*********************************************************************** \n subroutine reflectances(sza\n & ,specalbsza)\n\n! PURPOSE: Populate array specalbsza with sza-specific reflectances (i.e.\n!\t spectral albedos) for each of 20 land use types. Correct for\n! solar zenith angle, and adjust spectral albedos to better match\n! MODIS non-spectral estimates for each MODIS land use type.\n\n! REFERENCE: CERES/SARB Surface Properties database, May 2006\n! http://www-surf/larc.nasa.gov/surf/pages/data-page.html\n\n! INPUT: \tsza[deg]\n! OUTPUT: \tspecalbsza(20,15,2)\n! CALLS: \tnone\n! CALLED BY: \tveg\n \n\n\n implicit none\n character*30 landuse(20)\n integer i,j,k\n real*4 bands(15),specalb(15,20),dterm(20),specalbsza(20,15,2)\n & ,pi,specenhancement,u0,sza,modis2spectral(20)\n\n specalbsza(1:20,1:15,1:2) = 0.0\n\n pi = dacos(-1.d0)\n\n\n data bands / \n & 200.05, 234.3, 264.8, 292.1, 310.5\n & , 340.0, 397.5, 467.5, 546.25, 642.3\n & , 1000.0, 1550.0, 2150.0, 3000.0, 3750.0 /\n\n! *** Spectral Reflectances\n\n data specalb / \n & 0.032, 0.032, 0.032, 0.032, 0.032 ! (1) EVERGREEN NEEDLE FOREST\n & , 0.032, 0.032, 0.032, 0.046, 0.046 \n & , 0.235, 0.096, 0.038, 0.038, 0.038 \n & , 0.044, 0.044, 0.044, 0.044, 0.044 ! ( 2) EVERGREEN BROADLEAF FOR\n & , 0.044, 0.044, 0.044, 0.044, 0.044 ! (Tropical Forest)\n & , 0.234, 0.193, 0.112, 0.112, 0.112 \n & , 0.032, 0.032, 0.032, 0.032, 0.032 ! ( 3) DECIDUOUS NEEDLE FOREST\n & , 0.032, 0.032, 0.032, 0.046, 0.046 \n & , 0.235, 0.096, 0.038, 0.038, 0.038\n & , 0.034, 0.034, 0.034, 0.034, 0.034 ! ( 4) DECIDUOUS BROADLEAF FOR\n & , 0.034, 0.034, 0.034, 0.066, 0.067 \n & , 0.312, 0.276, 0.160, 0.160, 0.160 \n & , 0.033, 0.033, 0.033, 0.033, 0.033 ! ( 5) MIXED FOREST\n & , 0.033, 0.033, 0.033, 0.056, 0.057 \n & , 0.274, 0.186, 0.099, 0.099, 0.099\n & , 0.010, 0.010, 0.010, 0.015, 0.017 ! ( 6) CLOSED SHRUBS\n & , 0.020, 0.036, 0.045, 0.055, 0.156 \n & , 0.350, 0.239, 0.101, 0.101, 0.101\n & , 0.095, 0.095, 0.095, 0.095, 0.095 ! ( 7) OPEN/SHRUBS\n & , 0.095, 0.098, 0.104, 0.122, 0.157 \n & , 0.231, 0.330, 0.311, 0.150, 0.150\n & , 0.020, 0.020, 0.020, 0.023, 0.024 ! ( 8) WOODY SAVANNA (Decid Broadleaf*0.4 + Grass*0.6)\n & , 0.026, 0.035, 0.041, 0.102, 0.104 \n & , 0.366, 0.291, 0.151, 0.107, 0.107\n & , 0.010, 0.010, 0.010, 0.015, 0.017 ! ( 9) SAVANNA \n & , 0.020, 0.036, 0.045, 0.126, 0.129 \n & , 0.402, 0.301, 0.145, 0.071, 0.071\n & , 0.010, 0.010, 0.010, 0.015, 0.017 ! (10) GRASSLAND \n & , 0.020, 0.036, 0.045, 0.126, 0.129 \n & , 0.402, 0.301, 0.145, 0.071, 0.071\n & , 0.039, 0.039, 0.039, 0.039, 0.039 ! (11) PERMANENT WETLANDS\n & , 0.039, 0.039, 0.039, 0.051, 0.071 \n & , 0.164, 0.100, 0.056, 0.056, 0.056\n & , 0.010, 0.010, 0.010, 0.015, 0.017 ! (12) CROPLAND \n & , 0.020, 0.036, 0.045, 0.115, 0.099 \n & , 0.442, 0.271, 0.122, 0.059, 0.059 \n & , 0.052, 0.052, 0.052, 0.052, 0.052 ! (13) URBAN\n & , 0.052, 0.052, 0.066, 0.104, 0.114 \n & , 0.304, 0.258, 0.258, 0.258, 0.258\n & , 0.010, 0.010, 0.010, 0.015, 0.017 ! (14) CROP MOSAIC\n & , 0.020, 0.036, 0.045, 0.090, 0.083 \n & , 0.377, 0.273, 0.141, 0.110, 0.110\n & , 0.910, 0.910, 0.910, 0.916, 0.921 ! (15) PERMANENT SNOW \n & , 0.931, 0.947, 0.964, 0.953, 0.920 \n & , 0.635, 0.013, 0.006, 0.009, 0.014 \n & , 0.144, 0.144, 0.144, 0.144, 0.144 ! (16) BARREN/DESERT\n & , 0.144, 0.144, 0.179, 0.263, 0.331 \n & , 0.405, 0.390, 0.390, 0.390, 0.390\n & , 0.066, 0.066, 0.066, 0.070, 0.073 ! (17) OCEAN WATER\n & , 0.082, 0.094, 0.091, 0.078, 0.072 \n & , 0.066, 0.062, 0.055, 0.044, 0.069\n & , 0.180, 0.180, 0.180, 0.180, 0.180 ! (18) TUNDRA (modified with Lundberg et al)\n & , 0.180, 0.180, 0.180, 0.180, 0.180 \n & , 0.247, 0.265, 0.265, 0.265, 0.265\n & , 0.979, 0.979, 0.979, 0.980, 0.982 ! (19) FRESH SNOW \n & , 0.984, 0.988, 0.992, 0.989, 0.982 \n & , 0.902, 0.143, 0.168, 0.019, 0.015 \n & , 0.778, 0.778, 0.778, 0.778, 0.778 ! (20) SEA ICE\n & , 0.778, 0.778, 0.778, 0.778, 0.752 \n & , 0.393, 0.055, 0.054, 0.036, 0.036 /\n\n data landuse /\n & 'EVERGREEN NEEDLE FOREST'\n &,'EVERGREEN BROADLEAF FOREST'\n &,'DECIDUOUS NEEDLE FOREST'\n &,'DECIDUOUS BROADLEAF FOREST'\n &,'MIXED FOREST'\n &,'CLOSED SHRUBS'\n &,'OPEN / SHRUBS'\n &,'WOODY SAVANNA'\n &,'SAVANNA'\n &,'GRASSLAND'\n &,'PERMANENT WETLANDS'\n &,'CROPLAND'\n &,'URBAN'\n &,'CROP MOSAIC'\n &,'PERMANENT SNOW'\n &,'BARREN / DESSERT'\n &,'OCEAN WATER'\n &,'TUNDRA'\n &,'FRESH SNOW'\n &,'SEA ICE' /\n\n\n! *** Land-use type-dependent solar zenith adjustment factor \n\n\n data dterm /\n & 0.40 ! ( 1) EVERGREEN NEEDLE FOR \n &, 0.44 ! ( 2) EVERGREEN BROAD FOR \n &, 0.32 ! ( 3) DECIDUOUS NEEDLE FOR\n &, 0.39 ! ( 4) DECIDUOUS BROAD FOR\n &, 0.22 ! ( 5) MIXED FOREST\n &, 0.28 ! ( 6) CLOSED SHRUBS\n &, 0.40 ! ( 7) OPEN/SHRUBS\n &, 0.47 ! ( 8) WOODY SAVANNA\n &, 0.53 ! ( 9) SAVANNA\n &, 0.53 ! (10) GRASSLAND\n &, 0.35 ! (11) WETLAND\n &, 0.41 ! (12) CROPLAND (CAGEX-APR)\n &, 0.10 ! (13) URBAN\n &, 0.40 ! (14) CROP MOSAIC\n &, 0.10 ! (15) ANTARCTIC SNOW\n &, 0.40 ! (16) BARREN/DESERT\n &, 0.41 ! (17) OCEAN WATER\n &, 0.58 ! (18) TUNDRA\n &, 0.10 ! (19) FRESH SNOW\n &, 0.10 / ! (20) SEA ICE\n \n! The following scale factors are applied to the spectral albedos to bring\n! them into closer agreement (in the visible spectrum) with the MODIS fixed albedos \n \n data modis2spectral /\n & 3.5 ! (1)\n &, 2.5 ! (2)\n &, 4.0 ! (3)\n &, 2.5 ! (4)\n &, 3.0 ! (5)\n &, 3.0 ! (6)\n &, 2.0 ! (7)\n &, 2.5 ! (8)\n &, 1.5 ! (9)\n &, 2.0 ! (10)\n &, 2.0 ! (11)\n &, 1.5 ! (12)\n &, 1.5 ! (13)\n &, 2.5 ! (14)\n &, 1.0 ! (15)\n &, 1.0 ! (16)\n &, 1.0 ! (17)\n &, 1.0 ! (18)\n &, 1.0 ! (19)\n &, 1.0 / ! (20)\n \n!The folowing loops indicate use LUC (as \"j), and band (as \"i\")\n\n u0 = dcos((pi/180.d0)*sza)\n\n do 270 j = 1,20\n \n do 250 i = 1,15\n\n specenhancement = (1.0 + dterm(j))/(1.0 + 2.0*u0*dterm(j))\n specenhancement = max(0.8,specenhancement)\n\n specalbsza(j,i,1) = bands(i)\n\t specalbsza(j,i,2) = min(1.0,(specenhancement*specalb(i,j)))\n if((modis2spectral(j)*specalbsza(j,i,2)).le.1.0)then\n specalbsza(j,i,2) = modis2spectral(j)*specalbsza(j,i,2)\n else\n\t specalbsza(j,i,2) = 1.0\n\t endif\n\t \n250 continue\n270 continue\n\n!Output is specalbsza(j,i,2): 20 spectral albedos x 15 bands\n\n return\n end\n!***********************************************************************\n subroutine season_correction(specalbsza,jd,snowflag\n & ,specalbszassn)\n\n! PURPOSE: Modify the sza-specific spectral albedos to be further\n! specific to Julian day\n\n! REFERENCE: Moody et al (2005); Moody et al (2007); Jin et al (2002)\n\n! INPUT: specalbsza,jd,snowflag\n! OUTPUT: specalbszassn\n! CALLS: none\n! CALLED BY: veg\n\n implicit none\n integer jd,i,j,snowflag\n real*4 specalbsza(20,15,2),specalbszassn(20,15,2)\n & ,ssn_correction(20),jd_correction(20),pi,scale,temp\n & ,snow_correction(20)\n\n specalbszassn(1:20,1:15,1:2) = 0.0\n jd_correction(1:20) = 0.0\n\n pi = dacos(-1.d0)\n\n data ssn_correction /\n & 0.73 ! EVERGREEN NEEDLE FOR\n &, 0.84 ! EVERGREEN BROADLEAF FOR\n &, 0.77 ! DECIDUOUS NEEDLE FOR\n &, 0.73 ! DECIDOUS BROAD FOR\n &, 0.78 ! MIXED FOREST\n &, 0.73 ! CLOSED SHRUBS\n &, 0.77 ! OPEN/SHRUBS\n &, 0.78 ! WOODY SAVANNA\n &, 0.78 ! SAVANNA\n &, 0.79 ! GRASSLAND\n &, 0.78 ! WETLAND\n &, 0.80 ! CROPLAND\n &, 0.67 ! URBAN\n &, 0.80 ! CROP MOSAIC\n &, 1.00 ! PERMANENT SNOW\n &, 0.96 ! BARREN/DESERT\n &, 1.00 ! OCEAN WATER\n &, 0.25 ! TUNDRA\t\t(modified with Lundberg et al (2005))\n &, 1.00 ! FRESH SNOW\n &, 1.00 /! SEA ICE\n\n! scale ranges from [0,1]; scale = 0 on ~Jun21; = 1 on Dec21\n temp = cos(2.0*pi*((real(jd)+11.0)/365.))\n if(temp.ge.0.d0)then\n scale = 0.5*(1.+ sqrt(temp))\n else\n scale = 0.5*(1.- sqrt(abs(temp)))\n endif\n\n do 90 i = 1,20\n jd_correction(i) = scale*ssn_correction(i) - (scale-1.0)*1.0\n90 continue\n \n do 190 i = 1,20\n do 170 j = 1,15\n specalbszassn(i,j,1) = specalbsza(i,j,1)\n \n specalbszassn(i,j,2) = specalbsza(i,j,2)/jd_correction(i)\n \n170 continue\n190 continue\n\n if(snowflag.eq.0)goto 999\n\n data snow_correction /\n & 3.0 ! EVERGREEN NEEDLE FOR\n &, 4.1 ! EVERGREEN BROADLEAF FOR\n &, 3.1 ! DECIDUOUS NEEDLE FOR\n &, 2.7 ! DECIDUOUS BROADLEAF FOR\n &, 3.0 ! MIXED FOREST\n &, 2.2 ! CLOSED SHRUBS\n &, 3.6 ! OPEN/SHRUBS\n &, 2.1 ! WOODY SAVANNA\n &, 3.0 ! SAVANNA\n &, 3.8 ! GRASSLAND\n &, 4.9 ! WETLAND\n &, 4.5 ! CROPLAND\n &, 3.6 ! URBAN\n &, 3.6 ! CROP MOSAIC\n &, 1.7 ! PERMANENT SNOW\n &, 3.5 ! BARREN/DESERT\n &, 1.0 ! OCEAN WATER\n &, 4.0 ! TUNDRA\t\t(modified with Lundberg et al (2005))\n &, 1.0 ! FRESH SNOW\n &, 1.3 /! SEA ICE\n\n do 290 i = 1,20\n do 270 j = 1,15\n specalbszassn(i,j,2) = snow_correction(i)*specalbszassn(i,j,2)\n if(specalbszassn(i,j,2).gt.1.)then\n specalbszassn(i,j,2) = 1.0\n endif\n\n270 continue\n290 continue\n\n999 return\n end \n!*********************************************************************** \n subroutine spectralalbedo(specalbszassn,rtmodule\n & ,n,bin_spectra )\n! PURPOSE: Bin the sza-,season-specific spectral albedo data into the wavelength\n! bins of the selected photolysis module\n\n! INPUT: specalbszassn,rtmodule\n! OUTPUT: bin_spectra\n! CALLS: get_bin_data,cutpoints,assign\n! CALLED BY: veg\n\n implicit none\n character rtmodule*7\n \n\n integer choice,n,ncat,countforlabel(50)\n\n real*4 wavebin(50),cutpoint(50),specalbszassn(20,15,2)\n & ,nlcd_spectra(50,200,2)\n & ,bin_spectra(50,50,2),n2,sza\n\n bin_spectra(1:50,1:50,1:2) = 0.0\n\n\n call get_bin_data(rtmodule\n & ,wavebin,n)\n\n call cutpoints(wavebin,n,rtmodule\n & ,cutpoint)\n\n call assign(cutpoint,n,specalbszassn,ncat,countforlabel,wavebin\n & ,bin_spectra)\n\n return\n end\n!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!\n subroutine assign(cutpoint,n,specalbszassn,ncat,countforlabel\n & ,wavebin\n & ,bin_spectra)\n implicit none\n integer n,ncat,countforlabel(50),i,j,k,kcount,jj,zeroflag\n real*4 cutpoint(50),specalbszassn(20,15,2),wavebin(50)\n & ,bin_spectra(50,50,2)\n & ,accumulate1,accumulate2\n do 190 i = 1,20\n do 170 j = 2,n+1\n kcount = 0\n accumulate1 = 0.d0\n accumulate2 = 0.d0\n do 150 k = 1,15\n if((specalbszassn(i,k,1).le.cutpoint(j)).and.\n & (specalbszassn(i,k,1).gt.cutpoint(j-1)))then\n kcount = kcount + 1\n accumulate2 = accumulate2 + specalbszassn(i,k,2)\n endif\n150 continue\n if(kcount.ne.0)then\n accumulate2 = accumulate2/real(kcount)\n bin_spectra(i,j,1) = wavebin(j-1)\n bin_spectra(i,j,2) = accumulate2 \n elseif(kcount.eq.0)then\n bin_spectra(i,j,1) = wavebin(j-1)\n bin_spectra(i,j,2) = 0.d0\n endif\n\n160 format(2f12.3,i6,f12.3)\n170 continue\n190 continue\n\n! First bin\n do 230 i = 1,20\n if(bin_spectra(i,2,2).le.1.d-5)then\n do 220 k = 1,15\n if(specalbszassn(i,k,1).gt.cutpoint(1))then\n bin_spectra(i,2,2) = specalbszassn(i,k-1,2)\n goto 225\n endif\n220 continue\n225 if(bin_spectra(i,3,2).ne.0.d0)then\n bin_spectra(i,2,2) = (bin_spectra(i,2,2)\n & +bin_spectra(i,3,2))/2.d0\n endif\n endif\n230 continue\n\n! Last bin\n do 250 i = 1,20\n if(bin_spectra(i,n+1,2).le.1.d-5)then\n do 240 k = 15,1,-1\n if(specalbszassn(i,k,1).lt.cutpoint(n))then\n bin_spectra(i,n+1,2) = specalbszassn(i,k+1,2)\n goto 245\n endif\n240 continue\n245 if(bin_spectra(i,n,2).ne.0.d0)then\n bin_spectra(i,n+1,2) = (bin_spectra(i,n+1,2)\n & +bin_spectra(i,n,2))/2.d0\n endif\n endif \n250 continue\n\n do 290 i = 1,20\n255 zeroflag = 0\n do 270 j = 2,n-1 \n if(bin_spectra(i,j,2).eq.0.d0)then\n zeroflag = 1\n if((bin_spectra(i,j-1,2).ne.0.d0).and.\n & (bin_spectra(i,j+1,2).ne.0.d0))then\n bin_spectra(i,j,2)=(bin_spectra(i,j-1,2)\n & +bin_spectra(i,j+1,2))/2.d0\n goto 270\n elseif(bin_spectra(i,j-1,2).ne.0.d0)then\n bin_spectra(i,j,2) = bin_spectra(i,j-1,2)\n goto 270\n elseif(bin_spectra(i,j+1,2).ne.0.d0)then\n bin_spectra(i,j,2) = bin_spectra(i,j+1,2)\n goto 270\n endif\n \n endif\n270 continue\n if(zeroflag.eq.1)goto 255\n290 continue\n\n do 390 i = 1,20\n do 370 j = 2,n+1\n bin_spectra(i,j-1,1) = bin_spectra(i,j,1)\n bin_spectra(i,j-1,2) = bin_spectra(i,j,2)\n\n360 format(2i6,2f12.3)\n370 continue\n390 continue\n\n return\n end\n\n!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!\n subroutine cutpoints(wavebin,n,rtmodule\n & ,cutpoint)\n implicit none\n character rtmodule*7\n integer n,i\n real*4 wavebin(50),cutpoint(50)\n cutpoint(1) = wavebin(1) - (wavebin(2) - wavebin(1))/2.d0\n \n do 190 i = 2,n\n cutpoint(i) = (wavebin(i-1) + wavebin(i))/2.d0\n! Exception:\n if((rtmodule.eq.'SPHERAD').and.(i.eq.24))then\n cutpoint(i) = 402.5\n endif\n \n190 continue\n cutpoint(n+1) = wavebin(n) + (wavebin(n) - wavebin(n-1))/2.d0\n\n return\n end\n!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!\n subroutine get_bin_data(rtmodule\n & ,wavebin,n)\n implicit none\n character rtmodule*7\n \n integer n,i\n real*4 wavebin(50),xwavebin(30),ywavebin(30)\n \n wavebin(1:50) = 0.d0\n \n\n \n data xwavebin / \n & 295.0, 303.0, 310.0, 316.0, 333.0\n & , 380.0, 574.0, 0.0, 0.0, 0.0\n & , 0.0, 0.0, 0.0, 0.0, 0.0\n & , 0.0, 0.0, 0.0, 0.0, 0.0\n & , 0.0, 0.0, 0.0, 0.0, 0.0\n & , 0.0, 0.0, 0.0, 0.0, 0.0 /\n\n\n data ywavebin / \n & 290.0, 295.0, 300.0, 305.0, 310.0\n & , 315.0, 320.0, 325.0, 330.0, 335.0\n & , 340.0, 345.0, 350.0, 355.0, 360.0\n & , 365.0, 370.0, 375.0, 380.0, 385.0\n & , 390.0, 395.0, 400.0, 450.0, 550.0\n & , 650.0, 750.0, 0.0, 0.0, 0.0 /\n\n\n\n if(rtmodule.eq.'INLINE')then\n n = 7\n do 190 i = 1,n\n wavebin(i) = xwavebin(i)\n190 continue\n elseif(rtmodule.eq.'SPHERAD')then\n n = 27 \n do 195 i = 1,n\n wavebin(i) = ywavebin(i)\n195 continue\n endif\n\n return \n end\n!***********************************************************************\n!***********************************************************************\n subroutine mapalbedo(n,bin_spectra\n & ,nlcd_spectra,usgs_spectra,modis_spectra)\n! PURPOSE: Maps the 50 NLCD and 24 USGS landuse categories to the closest\n! 20 MODIS categories - with a weighting factor applied to the mapping\n! for continuity of albedo of NLCD/USGS to MODIS. 17 of the 20 MODIS \n! categories are then mapped to 17 uniquely corresponding spectral albedo \n! categories; 3 MODIS categories (Wooded Tundra, Mixed Tundra, and Barren \n! TUNDRA) are mapped to spectral \"Tundra\". \n\n\n! INPUT: n,bin_spectra\n! OUTPUT: nlcd_spectra,usgs_spectra,modis_spectra\n! CALLS: nlcdusgsmodis\n! CALLED BY: veg\n\n implicit none\n real*4 nlcdmap(65,2),usgsmap(65,2),modismap(65,2)\n & ,a(65),b(65),y,nlcdtype(50,3),usgstype(50,3),modistype(50,3)\n & ,bin_spectra(50,50,2),nlcd_spectra(50,50,2)\n & ,usgs_spectra(50,50,2),modis_spectra(50,50,2)\n & ,albedomap(6,64),temparray(500,3)\n \n integer c(65),d(65),e(65),f(65),icount,jcount,kcount,i,ix,iz\n & ,n,ii,jj,nn\n\n icount = 0\n jcount = 0\n kcount = 0\n nlcdtype(1:50,1:3) = 0.d0\n usgstype(1:50,1:3) = 0.d0\n modistype(1:50,1:3) = 0.d0\n nlcd_spectra(1:50,1:50,1:2) = 0.0\n usgs_spectra(1:50,1:50,1:2) = 0.0\n modis_spectra(1:50,1:50,1:2) = 0.0\n albedomap(1:6,1:64) = 0.0\n temparray(1:500,1:3) = 0.0\n\n \n call nlcdusgsmodis(albedomap)\n \n do 190 i = 1,64\n a(i) = albedomap(1,i)\n b(i) = albedomap(2,i)\n c(i) = int(albedomap(3,i))\n d(i) = int(albedomap(4,i))\n e(i) = int(albedomap(5,i))\n f(i) = int(albedomap(6,i))\n190 continue\n\n do 290 i = 1,64\n if(a(i).ne.0)then\n icount = icount + 1\n temparray(icount,1) = real(c(i))\n\ttemparray(icount,2) = a(i)\n\ttemparray(icount,3) = real(f(i))\n\n endif\n290 continue\n do 390 i = 1,64\n if(b(i).ne.0)then\n jcount = jcount + 1\n temparray(jcount+icount,1) = real(d(i))\n\ttemparray(jcount+icount,2) = b(i)\n\ttemparray(jcount+icount,3) = real(f(i))\n\n endif\n390 continue\n do 490 i = 1,64\n if(e(i).ne.0)then\n kcount = kcount + 1\n temparray(kcount+icount+jcount,1) = real(e(i))\n\ttemparray(kcount+icount+jcount,2) = 1.\n\ttemparray(kcount+icount+jcount,3) = real(f(i))\n\n endif\n490 continue\n rewind(8)\n do 590 i = 1,icount\n\n ix = int(temparray(i,1))\n y = temparray(i,2)\n iz = int(temparray(i,3))\n\n nlcdmap(ix,1)=iz\n nlcdmap(ix,2)=y\n590 continue\n do 690 i = 1,jcount\n\n ix = int(temparray(i+icount,1))\n y = temparray(i+icount,2)\n iz = int(temparray(i+icount,3))\n\n usgsmap(ix,1)=iz\n usgsmap(ix,2)=y\n690 continue\n do 790 i = 1,kcount\n\n ix = int(temparray(i+icount+jcount,1))\n y = temparray(i+icount+jcount,2)\n iz = int(temparray(i+icount+jcount,3))\n\n modismap(ix,1)=iz\n modismap(ix,2)=y\n790 continue\n do 890 i = 1,icount\n nlcdtype(i,1) = real(i)\n nlcdtype(i,2) = nlcdmap(i,1)\n nlcdtype(i,3) = nlcdmap(i,2)\n\n890 continue \n do 990 i = 1,jcount\n usgstype(i,1) = real(i)\n usgstype(i,2) = usgsmap(i,1)\n usgstype(i,3) = usgsmap(i,2)\n\n990 continue\n do 1090 i = 1,kcount\n modistype(i,1) = real(i)\n modistype(i,2) = modismap(i,1)\n modistype(i,3) = modismap(i,2)\n\n1090 continue\n\n! NLCD Map\n do 2190 i = 1,icount\n do 2170 nn = 1,n\n nlcd_spectra(i,nn,1) = bin_spectra(int(nlcdtype(i,2)),nn,1)\n nlcd_spectra(i,nn,2) = bin_spectra(int(nlcdtype(i,2)),nn,2)\n & *nlcdtype(i,3)\n nlcd_spectra(i,nn,2) = min(nlcd_spectra(i,nn,2),1.00)\n nlcd_spectra(i,nn,2) = max(nlcd_spectra(i,nn,2),0.00)\n!! write(19,2000)i,nn,nlcd_spectra(i,nn,1),nlcd_spectra(i,nn,2) \n2000 format(2i6,2f12.4)\n2170 continue\n2190 continue\n! USGS MAP\n do 3190 i = 1,jcount\n do 3170 nn = 1,n\n usgs_spectra(i,nn,1) = bin_spectra(int(usgstype(i,2)),nn,1)\n usgs_spectra(i,nn,2) = bin_spectra(int(usgstype(i,2)),nn,2)\n & *usgstype(i,3)\n usgs_spectra(i,nn,2) = min(usgs_spectra(i,nn,2),1.00)\n usgs_spectra(i,nn,2) = max(usgs_spectra(i,nn,2),0.00)\n!! write(19,2000)i,nn,usgs_spectra(i,nn,1),usgs_spectra(i,nn,2)\n3170 continue\n3190 continue\n! MODIS Map \n do 4190 i = 1,kcount\n do 4170 nn = 1,n\n modis_spectra(i,nn,1) = bin_spectra(int(modistype(i,2)),nn,1)\n modis_spectra(i,nn,2) = bin_spectra(int(modistype(i,2)),nn,2)\n & *modistype(i,3)\n modis_spectra(i,nn,2) = min(modis_spectra(i,nn,2),1.00)\n modis_spectra(i,nn,2) = max(modis_spectra(i,nn,2),0.00)\n!! write(19,2000)i,nn,modis_spectra(i,nn,1),modis_spectra(i,nn,2)\n4170 continue\n4190 continue\n\n return\n end \n!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!\n subroutine nlcdusgsmodis(\n & albedomap)\n\n implicit none\n integer i,j\n real*4 categorymap(6,64),albedomap(6,64)\n \n! NLCD2MODIS,USGS2MODIS,NLCD2SPEC,USGS2SPEC,MODIS2SPEC,SPEC\n\n data categorymap /\n & 0,\t0,\t0,\t0,\t0,\t0\n &, 0,\t0,\t0,\t0,\t0,\t0\n &, 1,\t0,\t1,\t0,\t0,\t17\n &, 1.0,\t0,\t2,\t0,\t0,\t15\n &, 1.0667,\t0,\t3,\t0,\t0,\t13\n &, 1.1333,\t0,\t4,\t0,\t0,\t13\n &, 1.0667,\t0,\t5,\t0,\t0,\t13\n &, 1.1333,\t0,\t6,\t0,\t0,\t13\n &, 0.8,\t0,\t7,\t0,\t0,\t16\n &, 1.4,\t0,\t8,\t0,\t0,\t16\n &, 0.9375,\t0,\t9,\t0,\t0,\t4\n &, 0.8333,\t0,\t10,\t0,\t0,\t1\n &, 1,\t0,\t11,\t0,\t0,\t5\n &, 1,\t0,\t12,\t0,\t0,\t7\n &, 1,\t0,\t13,\t0,\t0,\t7\n &, 1.1364,\t0,\t14,\t0,\t0,\t8\n &, 1.0455,\t0,\t15,\t0,\t0,\t8\n &, 1.0526,\t0,\t16,\t0,\t0,\t10\n &, 1.0526,\t0,\t17,\t0,\t0,\t10\n &, 1,\t1,\t18,\t22,\t0,\t18\n &, 1.2778,\t0,\t19,\t0,\t0,\t14\n &, 1.1765,\t1.0588,\t20,\t4,\t0,\t12\n &, 1.0714,\t1,\t21,\t17,\t0,\t11\n &, 1.0714,\t0,\t22,\t0,\t0,\t11\n &, 1.0714,\t0,\t23,\t0,\t0,\t11\n &, 1.0714,\t0,\t24,\t0,\t0,\t11\n &, 1.0714,\t0,\t25,\t0,\t0,\t11\n &, 1.2857,\t0,\t26,\t0,\t0,\t11\n &, 1.2857,\t0,\t27,\t0,\t0,\t11\n &, 1.2857,\t0,\t28,\t0,\t0,\t11\n &, 1.25,\t0,\t29,\t0,\t0,\t17\n &, 1.25,\t0,\t30,\t0,\t0,\t17\n &, 1,\t0,\t31,\t0,\t0,\t17\n &, 1,\t1,\t32,\t14,\t1,\t1\n &, 1,\t1,\t33,\t13,\t2,\t2\n &, 1,\t1,\t34,\t12,\t3,\t3\n &, 1,\t1,\t35,\t11,\t4,\t4\n &, 1,\t1,\t36,\t15,\t5,\t5\n &, 1,\t1,\t37,\t8,\t6,\t6\n &, 1,\t1,\t38,\t9,\t7,\t7\n &, 1,\t0,\t39,\t0,\t8,\t8\n &, 1,\t1,\t40,\t10,\t9,\t9\n &, 1,\t1,\t41,\t7,\t10,\t10\n &, 1,\t1,\t42,\t18,\t11,\t11\n &, 1,\t1,\t43,\t2,\t12,\t12\n &, 1,\t1,\t44,\t1,\t13,\t13\n &, 1,\t0,\t45,\t0,\t14,\t14\n &, 1,\t1,\t46,\t24,\t15,\t15\n &, 1,\t1,\t47,\t19,\t16,\t16\n &, 1,\t1,\t48,\t16,\t17,\t17\n &, 1,\t0,\t49,\t0,\t0,\t17\n &, 1,\t0,\t50,\t0,\t0,\t17\n &, 0,\t0,\t0,\t0,\t0,\t0\n &, 0,\t1,\t0,\t20,\t19,\t18\n &, 0,\t1,\t0,\t21,\t18,\t18\n &, 0,\t0,\t0,\t0,\t0,\t0\n &, 0,\t1,\t0,\t23,\t20,\t18\n &, 0,\t0,\t0,\t0,\t0,\t0\n &, 0,\t1.0588,\t0,\t3,\t0,\t12\n &, 0,\t0,\t0,\t0,\t0,\t0\n &, 0,\t1,\t0,\t5,\t0,\t14\n &, 0,\t0.8889,\t0,\t6,\t0,\t14\n &, 0,\t0,\t0,\t0,\t0,\t19\n &, 0,\t0,\t0,\t0,\t0,\t20 /\n\n do 190 i = 1,64\n do 170 j = 1,6\n\t albedomap(j,i) = categorymap(j,i)\n170 continue\n190 continue \n return\n end\n!***********************************************************************\n!1\tAsner, G. Biophysical and biochemical sources of variability in canopy reflectance. \n!\tRemote Sens. Environ. 64:234-253, 1998.\n!\n!2\tBelward, A., and T. Loveland. The DIS 1km Land Cover Data Set, Global Change, The \n!\tIGBP Newsletter, #27, Sep., 1996. \n!\n!3\tBetts, A. K., and J. H. Ball. Albedo over the Boreal Forest, \n!\tJ. Geophys. Res., 102, 28901-28909, 1997. \n!\n!4\tBlumthaler, M., and W. Ambach. Solar UVB-albedo of various surfaces. \n!\tPhotochem. Photobiol. 48(1) 85-88, 1988.\n!\n!5\tBowker, D. E., R. E. Davis, D. L. Myrick, K. Stacy, and W. T. Jones. \n!\tSpectral Reflectances of Natural Targets for use in Remote Sensing Studies, \n!\tNASA Ref. Pub., 1139, June 1985.\n!\n!6\tBriegleb, B. P., P. Minnis, V. Ramanathan, and E. Harrison. Comparison of Regional \n!\tClear-Sky Albedos Inferred from Satellite Observations and Models Comparisons, \n!\tJ. Clim. Appl. Meteor., 25, 214-226, 1986. \n!\n!7\tBriegleb, B. P., and V. Ramanathan. Spectral and Diurnal Variations in Clear Sky \n!\tPlanetary Albedo, J. Appl. Meteor., 21, 1160-1171, 1982. \n!\n!8\tCoddington, Odele, K. S. Schmidt, P. Pilewskie, W. J. Gore, R. W. Bergstrom, \n!\tM. Roman, J. Redemann, P. B.Russell, J. Liu, and C. C. Schaaf. Aircraft measurements of \n!\tspectral surface albedo and its consistency with ground-based and space-borne observations. \n!\tJ. Geophys. Res. 113 (D17209), 2008.\n!\n!9\tDozier, J. Spectral signature of alpine snow cover from the Landsat Thematic Mapper. \n!\tRemote Sens. Environ. 28:9-22, 1989.\n!\n!10\tDozier, J., R. E. Davis, and R. Perla. On the objective analysis of snow microstructure. \n!\tAvalanche Formation, Movement and Effects (proceedings of the Davos Symposium, Sept. 1986. \n!\tIAHS Publ. no. 162, 1987.\n!\n!11\tDozier, J. and T. H. Painter. Multispectral and hyperspectral remote sensing of alpine \n!\tsnow properties. Annu. Rev. Earth Planet. Sci. 32:465-94, 2004.\n!\n!12\tDozier, J, and S. G. Warren. Effect of viewing angle on the infrared brightness \n!\ttemperature of snow. Water Resources Research, 18(5) 1424-1434, 1982.\n!\n!13\tFeister, U., and R. Grewe. Spectral albedo measurements in the uv and visible region \n!\tover different types of surfaces. Photochem.Photbiol. 62(4) 736-744, 1995.\n!\n!14\tFu, Qiang, and K.N. Liou. ON the Correlated k-Distribution Moethod for Radiative \n!\tTransfer in Nonhomogeneous Atmospheres. J. Atmos. Sci. 49(22) 2139-2156, 1992.\n!\n!15\tGrenfell, T. C. and D. K. Perovich. Spectral albedos of sea ice and incident solar \n!\tirradiance in the Southern Beaufort Sea, J. Geophys. Res., 89, 3573-3580. 1984.\n!\n!16\tGrenfell, T. C., S. G. Warren, and P. C. Mullen. Reflection of Solar Radiation By \n!\tThe Antarctic Snow Surface at Ultraviolet, Visible, and Near-Infrared Wavelengths, J. Geophys. Res., 99, 18669-18684, 1994. \n!\n!17\tHansen, F. V. Albedos. Army Research Laboratory. ARL-TR-57, 1993.\n!\n!18\tJin, Y, C.B. Schaaf, F. Gao, X. Li, and A.H. Strahler. How does snow impact\n!\tthe albedo of vegetated land surfaces as analysized with MODIS data? Geophys. Res.\n!\tLett. 29(10) 1374. 2002\n!19\tKoelemeijer, R. B. A., J. F. de Haan, and P. Stammes. A database of spectral surface \n!\treflectivity in the range 335-772 nm derived from 5.5 years of GOME observations. \n!\tJ. Geophys. Res. 108(D2) 4070, 2003.\n!\n!20\tLaepple, T. and M. G. Schultz. Improved albedo formulation for chemistry transport \n!\tmodels based on satellite observations and assimilated snow data and its impact on tropospheric \n!\tphotochemistry. J. Geophys. Res. 110(D) 11308, 2005.\n!\n!21\tLundberg, A, and J. Beringer. Albedo and snowmelt rates across a trundra-to-forest \n!\ttransition. 15th Inter. Northern Research Basins Symposium and Workshop, Lulea, Sweden, \n!\t29 Aug ? 2 Sep, 2005.\n!\n!22\tMichalsky, J. J., Q. L. Min, J. C. Barnard, R. T.Marchand, P. Pilewskie. Simultaneous \n!\tspectral albedo measurements near the ARM SGP central facility. Twelfth ARM Science Team Meeting \n!\tProceedings, St. Petersburg, FL, USA. April 8-12, 2002.\n!\n!23\tMoody, E.G, M.D. King, S. Platnick, C.B. Schaaf, F. Gao. Spatially complete global spectral \n!\tsurface albedos: value-added datasets derived from Terra MODIS land products. IEEE Trans. \n!\tOn Geoscience and Remote Sens. 43(1) 144-158. 2005. \n!\n!24\tMoody, E.G, M.D. King, C.B. Schaaf, D.K. Hall, and S. Platnick. Northern Hemisphere \n!\tfive-year average (2000-2004) spectral albedos of surfaces in the presence of snow: Statistics \n!\tcomputed from Terra MODIS land products. Remote Sens. Environment. 111, 337-345. 2007.\n!\n!25\tPayne, R. E., Albedo of the Sea Surface, J. Atmos. Sci., 29, 959-970, 1972. \n!\n!26\tPetzold, D. E., and A. N. Rencz. The albedo of selected subarctic surfaces. Arctic and \n!\tAlpine Res. 7(4) 393-8, 1975.\n!\n!27\tPinker, R. T., and A. Karnieli. Characteristic Spectral Reflectance of a semi-arid environment, \n!\tInt. J. Rem. Sens., 1995. \n!\n!28\tPrivette, J. L, T. F. Eck, D. W. Deering. Estimating spectral albedo and nadir reflectance \n!\tthrough inversion of simple BRDF models with AVHRR/MODIS-like data. \n!\tJ. Geophys. Res. 102(D24) 29,529-29,542, 1997.\n!\n!29\tRoesch, A., C. Schaaf, and F. Gao. Use of Moderate-Resolution Imaging Spectroradiometer \n!\tbidirectional reflectance distribution function products to enhance simulated surface albedos. \n!\tJ. Geophys. Res. 109(D) 12,105, 2004.\n!\n!30\tStaylor W. F. and A.C. Wilber. Global surface albedos estimated from ERBE data, \n!\tProceedings, 7th Conf. on Atmos. Rad., San Francisco, CA, 1990. \n!\n!31\tTaberner, M. B. Pinty, Y. Govaerts, S. Liang, M.M. Verstraete, N. Gobron, and J.L. Widlowski. \n!\tComparison of MISR and MODIS land surface albedos: methodology. \n!\tJ. Geophys. Res. 115(D) 05101, 2010.\n!\n!32\tTsuyuzaki, S., K Kushida, Y Kodama. Recovery of surface albedo and plant cover\n!\tafter wildfire in a Picea mariana forest in interior Alaska. Climatic Change 93:517?525, 2009.\n!\n!33\tWilber, A.C., D. P. Kratz, S. K. Gupta, Surface Emissivity Maps for Use of Satellite \n!\tRetrievals of Longwave Radiation, NASA Tech. Pub., TP-99-209362, 1999.\n!\n!34\tWendisch, M. P. Pilewskie, E. Jakel, S. Schmidt, J. Pommier, S. Howard, H.H. Jonsson, \n!\tH Guan, M. Schroder, and B. Mayer. Airborne measurements of areal spectral surface albedo over \n!\tdifferent sea and land surfaces. J. Geophys. Res. 109(D) 08203, 2004.\n!\n!35\tWarren, S. G., and W. J. Wiscombe. A model for the spectral albedo of snow. \n!\tII: Snow containing atmospheric aerosols. J. Atmosph. Sci. 37(12) 2734-45, 1980.\n!\n" }, { "path": "UTIL/inline_phot_preproc/src/vegeland_striecher-wth.f", "content": " program veg\n\n! PURPOSE: For specified photolysis module (\"INLINE\", or \"SPHERAD\"),\n! and for specified solar zenith angle (sza), Julian day (jd), and\n! snow flag (snowflag), returns reflectances (spectral albedos) for \n! each of 3 landuse categorization schemes (NLCD, USGS, and MODIS) \n! that are specific to the solar zenith angle, Julian day, snow \n! conditions,and the spectral bin structure of the photolysis module.\n\n! ADVISORY:\tThis module should be called when sza, jd, or snowflag changes\n\n! DEVELOPED:\tAugust 2010. John Streicher USEPA/ORD/NERL/AMAD\n\n! INPUT: \trtmodule,sza[deg],jd [integer],snowflag [0=no;1=yes]\n! OUTPUT:\treflectance\n! CALLS:\treflectances,season_correction,spectralalbedo,mapalbedo\n! CALLED BY:\tmain\n\n implicit none\n character*7 rtmodule\n integer jd,snowflag,n,isza,i\n \n real*4 sza,specalbsza(20,15,2),specalbszassn(20,15,2)\n & ,bin_spectra(50,50,2),nlcd_spectra(50,50,2)\n & ,usgs_spectra(50,50,2),modis_spectra(50,50,2)\n\n! The following (sza; rtmodule='INLINE', or 'SPHERAD'; jd; snowflag) \n! are temporarily hardcoded. \n! Replace with user-selected values when incorporated into MCIP or WRF-CMAQ.\n\n\n\n rtmodule = 'INLINE'\n! rtmodule = 'SPECTRA'\n sza = 30. \n jd = 180\n snowflag = 0\n \n call reflectances(sza, specalbsza)\n\n call season_correction(specalbsza,jd,snowflag\n & ,specalbszassn)\n\n call spectralalbedo(specalbszassn,rtmodule\n & ,n,bin_spectra )\n \n call mapalbedo(n,bin_spectra\n & ,nlcd_spectra,usgs_spectra,modis_spectra )\n \n \n stop\n end\n!*********************************************************************** \n subroutine reflectances(sza\n & ,specalbsza)\n\n! PURPOSE: Populate array specalbsza with sza-specific reflectances (i.e.\n!\t spectral albedos) for each of 20 land use types. Correct for\n! solar zenith angle, and adjust spectral albedos to better match\n! MODIS non-spectral estimates for each MODIS land use type.\n\n! REFERENCE: CERES/SARB Surface Properties database, May 2006\n! http://www-surf/larc.nasa.gov/surf/pages/data-page.html\n\n! INPUT: \tsza[deg]\n! OUTPUT: \tspecalbsza(20,15,2)\n! CALLS: \tnone\n! CALLED BY: \tveg\n \n\n\n implicit none\n INTEGER, PARAMETER :: NUMB_LANDUSE_MODIS = 20\n INTEGER, PARAMETER :: NUMB_BANDS_MODIS = 15\n\n\n character*30 landuse(20)\n integer i,j,k\n REAL(4) bands(15),SPECTRAL_ALBEDO(15,20),dterm(20),specalbsza(20,15,2)\n & ,pi,specenhancement,u0,sza,modis2spectral(20)\n\n REAL( 4 ) :: ZENITH_COEFF( NUMB_LANDUSE_MODIS )\n REAL( 4 ) :: WVBAND( NUMB_BANDS_MODIS )\n REAL( 4 ) :: ZENITH_CORRECTION\n\n INTEGER :: IWL\n\n specalbsza(1:20,1:15,1:2) = 0.0\n\n pi = dacos(-1.d0)\n\n data landuse /\n & 'EVERGREEN NEEDLE FOREST'\n &,'EVERGREEN BROADLEAF FOREST'\n &,'DECIDUOUS NEEDLE FOREST'\n &,'DECIDUOUS BROADLEAF FOREST'\n &,'MIXED FOREST'\n &,'CLOSED SHRUBS'\n &,'OPEN / SHRUBS'\n &,'WOODY SAVANNA'\n &,'SAVANNA'\n &,'GRASSLAND'\n &,'PERMANENT WETLANDS'\n &,'CROPLAND'\n &,'URBAN'\n &,'CROP MOSAIC'\n &,'PERMANENT SNOW'\n &,'BARREN / DESSERT'\n &,'OCEAN WATER'\n &,'TUNDRA'\n &,'FRESH SNOW'\n &,'SEA ICE' /\n\n\n data WVBAND / \n & 200.05, 234.3, 264.8, 292.1, 310.5,\n & 340.0, 397.5, 467.5, 546.25, 642.3,\n & 1000.0, 1550.0, 2150.0, 3000.0, 3750.0 /\n\n\n! *** Spectral Reflectances\n\n DATA (SPECTRAL_ALBEDO(IWL, 1), IWL = 1, NUMB_BANDS_MODIS) / \n & 0.032, 0.032, 0.032, 0.032, 0.032 ! (1) EVERGREEN NEEDLE FOREST\n & , 0.032, 0.032, 0.032, 0.046, 0.046 \n & , 0.235, 0.096, 0.038, 0.038, 0.038 /\n\n DATA (SPECTRAL_ALBEDO(IWL, 2), IWL = 1, NUMB_BANDS_MODIS) / \n & 0.044, 0.044, 0.044, 0.044, 0.044 ! ( 2) EVERGREEN BROADLEAF FOR\n & , 0.044, 0.044, 0.044, 0.044, 0.044 ! (Tropical Forest)\n & , 0.234, 0.193, 0.112, 0.112, 0.112 /\n\n DATA (SPECTRAL_ALBEDO(IWL, 3), IWL = 1, NUMB_BANDS_MODIS) / \n & 0.032, 0.032, 0.032, 0.032, 0.032 ! ( 3) DECIDUOUS NEEDLE FOREST\n & , 0.032, 0.032, 0.032, 0.046, 0.046 \n & , 0.235, 0.096, 0.038, 0.038, 0.038 / \n\n DATA (SPECTRAL_ALBEDO(IWL, 4), IWL = 1, NUMB_BANDS_MODIS) / \n & 0.034, 0.034, 0.034, 0.034, 0.034 ! ( 4) DECIDUOUS BROADLEAF FOR\n & , 0.034, 0.034, 0.034, 0.066, 0.067 \n & , 0.312, 0.276, 0.160, 0.160, 0.160 / \n\n DATA (SPECTRAL_ALBEDO(IWL, 5), IWL = 1, NUMB_BANDS_MODIS) / \n & 0.033, 0.033, 0.033, 0.033, 0.033 ! ( 5) MIXED FOREST\n & , 0.033, 0.033, 0.033, 0.056, 0.057 \n & , 0.274, 0.186, 0.099, 0.099, 0.099 /\n\n DATA (SPECTRAL_ALBEDO(IWL, 6), IWL = 1, NUMB_BANDS_MODIS) / \n & 0.010, 0.010, 0.010, 0.015, 0.017 ! ( 6) CLOSED SHRUBS\n & , 0.020, 0.036, 0.045, 0.055, 0.156 \n & , 0.350, 0.239, 0.101, 0.101, 0.101 /\n\n DATA (SPECTRAL_ALBEDO(IWL, 7), IWL = 1, NUMB_BANDS_MODIS) / \n & 0.095, 0.095, 0.095, 0.095, 0.095 ! ( 7) OPEN/SHRUBS\n & , 0.095, 0.098, 0.104, 0.122, 0.157 \n & , 0.231, 0.330, 0.311, 0.150, 0.150 /\n\n DATA (SPECTRAL_ALBEDO(IWL, 8), IWL = 1, NUMB_BANDS_MODIS) / \n & 0.020, 0.020, 0.020, 0.023, 0.024 ! ( 8) WOODY SAVANNA (Decid Broadleaf*0.4 + Grass*0.6)\n & , 0.026, 0.035, 0.041, 0.102, 0.104 \n & , 0.366, 0.291, 0.151, 0.107, 0.107 /\n\n DATA (SPECTRAL_ALBEDO(IWL, 9), IWL = 1, NUMB_BANDS_MODIS) / \n & 0.010, 0.010, 0.010, 0.015, 0.017 ! ( 9) SAVANNA \n & , 0.020, 0.036, 0.045, 0.126, 0.129 \n & , 0.402, 0.301, 0.145, 0.071, 0.071 /\n\n DATA (SPECTRAL_ALBEDO(IWL, 10), IWL = 1, NUMB_BANDS_MODIS) / \n & 0.010, 0.010, 0.010, 0.015, 0.017 ! (10) GRASSLAND \n & , 0.020, 0.036, 0.045, 0.126, 0.129 \n & , 0.402, 0.301, 0.145, 0.071, 0.071 /\n\n DATA (SPECTRAL_ALBEDO(IWL, 11), IWL = 1, NUMB_BANDS_MODIS) / \n & 0.039, 0.039, 0.039, 0.039, 0.039 ! (11) PERMANENT WETLANDS\n & , 0.039, 0.039, 0.039, 0.051, 0.071 \n & , 0.164, 0.100, 0.056, 0.056, 0.056 /\n\n DATA (SPECTRAL_ALBEDO(IWL, 12), IWL = 1, NUMB_BANDS_MODIS) / \n & 0.010, 0.010, 0.010, 0.015, 0.017 ! (12) CROPLAND \n & , 0.020, 0.036, 0.045, 0.115, 0.099 \n & , 0.442, 0.271, 0.122, 0.059, 0.059 / \n\n DATA (SPECTRAL_ALBEDO(IWL, 13), IWL = 1, NUMB_BANDS_MODIS) / \n & 0.052, 0.052, 0.052, 0.052, 0.052 ! (13) URBAN\n & , 0.052, 0.052, 0.066, 0.104, 0.114 \n & , 0.304, 0.258, 0.258, 0.258, 0.258 /\n\n DATA (SPECTRAL_ALBEDO(IWL, 14), IWL = 1, NUMB_BANDS_MODIS) / \n & 0.010, 0.010, 0.010, 0.015, 0.017 ! (14) CROP MOSAIC\n & , 0.020, 0.036, 0.045, 0.090, 0.083 \n & , 0.377, 0.273, 0.141, 0.110, 0.110 /\n\n DATA (SPECTRAL_ALBEDO(IWL, 15), IWL = 1, NUMB_BANDS_MODIS) / \n & 0.910, 0.910, 0.910, 0.916, 0.921 ! (15) PERMANENT SNOW \n & , 0.931, 0.947, 0.964, 0.953, 0.920 \n & , 0.635, 0.013, 0.006, 0.009, 0.014 / \n\n DATA (SPECTRAL_ALBEDO(IWL, 16), IWL = 1, NUMB_BANDS_MODIS) / \n & 0.144, 0.144, 0.144, 0.144, 0.144 ! (16) BARREN/DESERT\n & , 0.144, 0.144, 0.179, 0.263, 0.331 \n & , 0.405, 0.390, 0.390, 0.390, 0.390 /\n\n DATA (SPECTRAL_ALBEDO(IWL, 17), IWL = 1, NUMB_BANDS_MODIS) / \n & 0.066, 0.066, 0.066, 0.070, 0.073 ! (17) OCEAN WATER\n & , 0.082, 0.094, 0.091, 0.078, 0.072 \n & , 0.066, 0.062, 0.055, 0.044, 0.069 /\n\n DATA (SPECTRAL_ALBEDO(IWL, 18), IWL = 1, NUMB_BANDS_MODIS) / \n & 0.180, 0.180, 0.180, 0.180, 0.180 ! (18) TUNDRA (modified with Lundberg et al)\n & , 0.180, 0.180, 0.180, 0.180, 0.180 \n & , 0.247, 0.265, 0.265, 0.265, 0.265 /\n\n DATA (SPECTRAL_ALBEDO(IWL, 19), IWL = 1, NUMB_BANDS_MODIS) / \n & 0.979, 0.979, 0.979, 0.980, 0.982 ! (19) FRESH SNOW \n & , 0.984, 0.988, 0.992, 0.989, 0.982 \n & , 0.902, 0.143, 0.168, 0.019, 0.015 / \n\n DATA (SPECTRAL_ALBEDO(IWL, 20), IWL = 1, NUMB_BANDS_MODIS) / \n & 0.778, 0.778, 0.778, 0.778, 0.778 ! (20) SEA ICE\n & , 0.778, 0.778, 0.778, 0.778, 0.752 \n & , 0.393, 0.055, 0.054, 0.036, 0.036 /\n\n\n! *** Land-use type-dependent solar zenith adjustment factor \n\n\n data ZENITH_COEFF /\n & 0.40, ! ( 1) EVERGREEN NEEDLE FOR \n & 0.44, ! ( 2) EVERGREEN BROAD FOR \n & 0.32, ! ( 3) DECIDUOUS NEEDLE FOR\n & 0.39, ! ( 4) DECIDUOUS BROAD FOR\n & 0.22, ! ( 5) MIXED FOREST\n & 0.28, ! ( 6) CLOSED SHRUBS\n & 0.40, ! ( 7) OPEN/SHRUBS\n & 0.47, ! ( 8) WOODY SAVANNA\n & 0.53, ! ( 9) SAVANNA\n & 0.53, ! (10) GRASSLAND\n & 0.35, ! (11) WETLAND\n & 0.41, ! (12) CROPLAND (CAGEX-APR)\n & 0.10, ! (13) URBAN\n & 0.40, ! (14) CROP MOSAIC\n & 0.10, ! (15) ANTARCTIC SNOW\n & 0.40, ! (16) BARREN/DESERT\n & 0.41, ! (17) OCEAN WATER\n & 0.58, ! (18) TUNDRA\n & 0.10, ! (19) FRESH SNOW\n & 0.10 / ! (20) SEA ICE\n \n! The following scale factors are applied to the spectral albedos to bring\n! them into closer agreement (in the visible spectrum) with the MODIS fixed albedos \n \n data MODIS2SPECTRAL /\n & 3.5, ! (1)\n & 2.5, ! (2)\n & 4.0, ! (3)\n & 2.5, ! (4)\n & 3.0, ! (5)\n & 3.0, ! (6)\n & 2.0, ! (7)\n & 2.5, ! (8)\n & 1.5, ! (9)\n & 2.0, ! (10)\n & 2.0, ! (11)\n & 1.5, ! (12)\n & 1.5, ! (13)\n & 2.5, ! (14)\n & 1.0, ! (15)\n & 1.0, ! (16)\n & 1.0, ! (17)\n & 1.0, ! (18)\n & 1.0, ! (19)\n & 1.0 / ! (20)\n \n!The folowing loops indicate use LUC (as \"j), and band (as \"i\")\n\n u0 = dcos((pi/180.d0)*sza)\n\n do 270 j = 1,20\n \n do 250 i = 1,15\n\n ZENITH_CORRECTION = (1.0 + ZENITH_COEFF(j))\n & / (1.0 + 2.0*u0*ZENITH_COEFF(j))\n\n ZENITH_CORRECTION = max(0.8,ZENITH_CORRECTION)\n\n specalbsza(j,i,1) = WVBAND(I)\n specalbsza(j,i,2) = min(1.0,\n & (ZENITH_CORRECTION*SPECTRAL_ALBEDO(i,j)))\n if((modis2spectral(j)*specalbsza(j,i,2)).le.1.0)then\n specalbsza(j,i,2) = modis2spectral(j)*specalbsza(j,i,2)\n else\n specalbsza(j,i,2) = 1.0\n endif\n\t \n250 continue\n270 continue\n\n!Output is specalbsza(j,i,2): 20 spectral albedos x 15 bands\n\n return\n end\n!***********************************************************************\n subroutine season_correction(specalbsza,jd,snowflag\n & ,specalbszassn)\n\n! PURPOSE: Modify the sza-specific spectral albedos to be further\n! specific to Julian day\n\n! REFERENCE: Moody et al (2005); Moody et al (2007); Jin et al (2002)\n\n! INPUT: specalbsza,jd,snowflag\n! OUTPUT: specalbszassn\n! CALLS: none\n! CALLED BY: veg\n\n implicit none\n integer jd,i,j,snowflag\n real*4 specalbsza(20,15,2),specalbszassn(20,15,2)\n & ,ssn_correction(20),jd_correction(20),pi,scale,temp\n & ,snow_correction(20)\n\n specalbszassn(1:20,1:15,1:2) = 0.0\n jd_correction(1:20) = 0.0\n\n pi = dacos(-1.d0)\n\n data ssn_correction /\n & 0.73, ! EVERGREEN NEEDLE FOR\n & 0.84, ! EVERGREEN BROADLEAF FOR\n & 0.77, ! DECIDUOUS NEEDLE FOR\n & 0.73, ! DECIDOUS BROAD FOR\n & 0.78, ! MIXED FOREST\n & 0.73, ! CLOSED SHRUBS\n & 0.77, ! OPEN/SHRUBS\n & 0.78, ! WOODY SAVANNA\n & 0.78, ! SAVANNA\n & 0.79, ! GRASSLAND\n & 0.78, ! WETLAND\n & 0.80, ! CROPLAND\n & 0.67, ! URBAN\n & 0.80, ! CROP MOSAIC\n & 1.00, ! PERMANENT SNOW\n & 0.96, ! BARREN/DESERT\n & 1.00, ! OCEAN WATER\n & 0.25, ! TUNDRA\t\t(modified with Lundberg et al (2005))\n & 1.00, ! FRESH SNOW\n & 1.00 /! SEA ICE\n\n! scale ranges from [0,1]; scale = 0 on ~Jun21; = 1 on Dec21\n temp = cos(2.0*pi*((real(jd)+11.0)/365.))\n if(temp.ge.0.d0)then\n scale = 0.5*(1.+ sqrt(temp))\n else\n scale = 0.5*(1.- sqrt(abs(temp)))\n endif\n\n do 90 i = 1,20\n jd_correction(i) = scale*ssn_correction(i) - (scale-1.0)*1.0\n90 continue\n \n do 190 i = 1,20\n do 170 j = 1,15\n specalbszassn(i,j,1) = specalbsza(i,j,1)\n \n specalbszassn(i,j,2) = specalbsza(i,j,2)/jd_correction(i)\n \n170 continue\n190 continue\n\n if(snowflag.eq.0)goto 999\n\n data snow_correction /\n & 3.0, ! EVERGREEN NEEDLE FOR\n & 4.1, ! EVERGREEN BROADLEAF FOR\n & 3.1, ! DECIDUOUS NEEDLE FOR\n & 2.7, ! DECIDUOUS BROADLEAF FOR\n & 3.0, ! MIXED FOREST\n & 2.2, ! CLOSED SHRUBS\n & 3.6, ! OPEN/SHRUBS\n & 2.1, ! WOODY SAVANNA\n & 3.0, ! SAVANNA\n & 3.8, ! GRASSLAND\n & 4.9, ! WETLAND\n & 4.5, ! CROPLAND\n & 3.6, ! URBAN\n & 3.6, ! CROP MOSAIC\n & 1.7, ! PERMANENT SNOW\n & 3.5, ! BARREN/DESERT\n & 1.0, ! OCEAN WATER\n & 4.0, ! TUNDRA\t\t(modified with Lundberg et al (2005))\n & 1.0, ! FRESH SNOW\n & 1.3 /! SEA ICE\n\n do 290 i = 1,20\n do 270 j = 1,15\n specalbszassn(i,j,2) = snow_correction(i)*specalbszassn(i,j,2)\n if(specalbszassn(i,j,2).gt.1.)then\n specalbszassn(i,j,2) = 1.0\n endif\n\n270 continue\n290 continue\n\n999 return\n end \n!*********************************************************************** \n subroutine spectralalbedo(specalbszassn,rtmodule\n & ,n,bin_spectra )\n! PURPOSE: Bin the sza-,season-specific spectral albedo data into the wavelength\n! bins of the selected photolysis module\n\n! INPUT: specalbszassn,rtmodule\n! OUTPUT: bin_spectra\n! CALLS: get_bin_data,cutpoints,assign\n! CALLED BY: veg\n\n implicit none\n character rtmodule*7\n \n\n integer choice,n,ncat,countforlabel(50)\n\n real*4 wavebin(50),cutpoint(50),specalbszassn(20,15,2)\n & ,nlcd_spectra(50,200,2)\n & ,bin_spectra(50,50,2),n2,sza\n\n bin_spectra(1:50,1:50,1:2) = 0.0\n\n\n call get_bin_data(rtmodule\n & ,wavebin,n)\n\n call cutpoints(wavebin,n,rtmodule\n & ,cutpoint)\n\n call assign(cutpoint,n,specalbszassn,ncat,countforlabel,wavebin\n & ,bin_spectra)\n\n return\n end\n!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!\n subroutine assign(cutpoint,n,specalbszassn,ncat,countforlabel\n & ,wavebin\n & ,bin_spectra)\n implicit none\n integer n,ncat,countforlabel(50),i,j,k,kcount,jj,zeroflag\n real*4 cutpoint(50),specalbszassn(20,15,2),wavebin(50)\n & ,bin_spectra(50,50,2)\n & ,accumulate1,accumulate2\n do 190 i = 1,20\n do 170 j = 2,n+1\n kcount = 0\n accumulate1 = 0.d0\n accumulate2 = 0.d0\n do 150 k = 1,15\n if((specalbszassn(i,k,1).le.cutpoint(j)).and.\n & (specalbszassn(i,k,1).gt.cutpoint(j-1)))then\n kcount = kcount + 1\n accumulate2 = accumulate2 + specalbszassn(i,k,2)\n endif\n150 continue\n if(kcount.ne.0)then\n accumulate2 = accumulate2/real(kcount)\n bin_spectra(i,j,1) = wavebin(j-1)\n bin_spectra(i,j,2) = accumulate2 \n elseif(kcount.eq.0)then\n bin_spectra(i,j,1) = wavebin(j-1)\n bin_spectra(i,j,2) = 0.d0\n endif\n\n160 format(2f12.3,i6,f12.3)\n170 continue\n190 continue\n\n! First bin\n do 230 i = 1,20\n if(bin_spectra(i,2,2).le.1.d-5)then\n do 220 k = 1,15\n if(specalbszassn(i,k,1).gt.cutpoint(1))then\n bin_spectra(i,2,2) = specalbszassn(i,k-1,2)\n goto 225\n endif\n220 continue\n225 if(bin_spectra(i,3,2).ne.0.d0)then\n bin_spectra(i,2,2) = (bin_spectra(i,2,2)\n & +bin_spectra(i,3,2))/2.d0\n endif\n endif\n230 continue\n\n! Last bin\n do 250 i = 1,20\n if(bin_spectra(i,n+1,2).le.1.d-5)then\n do 240 k = 15,1,-1\n if(specalbszassn(i,k,1).lt.cutpoint(n))then\n bin_spectra(i,n+1,2) = specalbszassn(i,k+1,2)\n goto 245\n endif\n240 continue\n245 if(bin_spectra(i,n,2).ne.0.d0)then\n bin_spectra(i,n+1,2) = (bin_spectra(i,n+1,2)\n & +bin_spectra(i,n,2))/2.d0\n endif\n endif \n250 continue\n\n do 290 i = 1,20\n255 zeroflag = 0\n do 270 j = 2,n-1 \n if(bin_spectra(i,j,2).eq.0.d0)then\n zeroflag = 1\n if((bin_spectra(i,j-1,2).ne.0.d0).and.\n & (bin_spectra(i,j+1,2).ne.0.d0))then\n bin_spectra(i,j,2)=(bin_spectra(i,j-1,2)\n & +bin_spectra(i,j+1,2))/2.d0\n goto 270\n elseif(bin_spectra(i,j-1,2).ne.0.d0)then\n bin_spectra(i,j,2) = bin_spectra(i,j-1,2)\n goto 270\n elseif(bin_spectra(i,j+1,2).ne.0.d0)then\n bin_spectra(i,j,2) = bin_spectra(i,j+1,2)\n goto 270\n endif\n \n endif\n270 continue\n if(zeroflag.eq.1)goto 255\n290 continue\n\n do 390 i = 1,20\n do 370 j = 2,n+1\n bin_spectra(i,j-1,1) = bin_spectra(i,j,1)\n bin_spectra(i,j-1,2) = bin_spectra(i,j,2)\n\n360 format(2i6,2f12.3)\n370 continue\n390 continue\n\n return\n end\n\n!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!\n subroutine cutpoints(wavebin,n,rtmodule\n & ,cutpoint)\n implicit none\n character rtmodule*7\n integer n,i\n real*4 wavebin(50),cutpoint(50)\n cutpoint(1) = wavebin(1) - (wavebin(2) - wavebin(1))/2.d0\n \n do 190 i = 2,n\n cutpoint(i) = (wavebin(i-1) + wavebin(i))/2.d0\n! Exception:\n if((rtmodule.eq.'SPHERAD').and.(i.eq.24))then\n cutpoint(i) = 402.5\n endif\n \n190 continue\n cutpoint(n+1) = wavebin(n) + (wavebin(n) - wavebin(n-1))/2.d0\n\n return\n end\n!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!\n subroutine get_bin_data(rtmodule\n & ,wavebin,n)\n implicit none\n character rtmodule*7\n \n integer n,i\n real*4 wavebin(50),xwavebin(30),ywavebin(30),zwavebin(30)\n \n wavebin(1:50) = 0.d0\n \n\n \n data xwavebin / \n & 295.0, 303.0, 310.0, 316.0, 333.0\n & , 380.0, 574.0, 0.0, 0.0, 0.0\n & , 0.0, 0.0, 0.0, 0.0, 0.0\n & , 0.0, 0.0, 0.0, 0.0, 0.0\n & , 0.0, 0.0, 0.0, 0.0, 0.0\n & , 0.0, 0.0, 0.0, 0.0, 0.0 /\n\n\n data ywavebin / \n & 290.0, 295.0, 300.0, 305.0, 310.0\n & , 315.0, 320.0, 325.0, 330.0, 335.0\n & , 340.0, 345.0, 350.0, 355.0, 360.0\n & , 365.0, 370.0, 375.0, 380.0, 385.0\n & , 390.0, 395.0, 400.0, 450.0, 550.0\n & , 650.0, 750.0, 0.0, 0.0, 0.0 /\n\n DATA (ZWAVEBIN(I),I = 1,15) /\n & 200.05, 234.3, 264.8, 292.1, 310.5,\n & 340.0, 397.5, 467.5, 546.25, 642.3,\n & 1000.0, 1550.0, 2150.0, 3000.0, 3750.0 /\n\n\n\n if(rtmodule.eq.'INLINE')then\n n = 7\n do 190 i = 1,n\n wavebin(i) = xwavebin(i)\n190 continue\n elseif(rtmodule.eq.'SPHERAD')then\n n = 27 \n do 195 i = 1,n\n wavebin(i) = ywavebin(i)\n195 continue\n ELSE\n n = 15\n do i = 1,n\n wavebin(i) = zwavebin(i)\n enddo\n endif\n\n return \n end\n!***********************************************************************\n!***********************************************************************\n subroutine mapalbedo(n,bin_spectra\n & ,nlcd_spectra,usgs_spectra,modis_spectra)\n! PURPOSE: Maps the 50 NLCD and 24 USGS landuse categories to the closest\n! 20 MODIS categories - with a weighting factor applied to the mapping\n! for continuity of albedo of NLCD/USGS to MODIS. 17 of the 20 MODIS \n! categories are then mapped to 17 uniquely corresponding spectral albedo \n! categories; 3 MODIS categories (Wooded Tundra, Mixed Tundra, and Barren \n! TUNDRA) are mapped to spectral \"Tundra\". \n\n\n! INPUT: n,bin_spectra\n! OUTPUT: nlcd_spectra,usgs_spectra,modis_spectra\n! CALLS: nlcdusgsmodis\n! CALLED BY: veg\n\n implicit none\n real*4 nlcdmap(65,2),usgsmap(65,2),modismap(65,2)\n & ,a(65),b(65),y,nlcdtype(50,3),usgstype(50,3),modistype(50,3)\n & ,bin_spectra(50,50,2),nlcd_spectra(50,50,2)\n & ,usgs_spectra(50,50,2),modis_spectra(50,50,2)\n & ,albedomap(6,64),temparray(500,3)\n \n integer c(65),d(65),e(65),f(65),icount,jcount,kcount,i,ix,iz\n & ,n,ii,jj,nn\n\n icount = 0\n jcount = 0\n kcount = 0\n nlcdtype(1:50,1:3) = 0.d0\n usgstype(1:50,1:3) = 0.d0\n modistype(1:50,1:3) = 0.d0\n nlcd_spectra(1:50,1:50,1:2) = 0.0\n usgs_spectra(1:50,1:50,1:2) = 0.0\n modis_spectra(1:50,1:50,1:2) = 0.0\n albedomap(1:6,1:64) = 0.0\n temparray(1:500,1:3) = 0.0\n\n \n call nlcdusgsmodis(albedomap)\n \n do 190 i = 1,64\n a(i) = albedomap(1,i)\n b(i) = albedomap(2,i)\n c(i) = int(albedomap(3,i))\n d(i) = int(albedomap(4,i))\n e(i) = int(albedomap(5,i))\n f(i) = int(albedomap(6,i))\n190 continue\n\n do 290 i = 1,64\n if(a(i).ne.0)then\n icount = icount + 1\n temparray(icount,1) = real(c(i))\n\ttemparray(icount,2) = a(i)\n\ttemparray(icount,3) = real(f(i))\n\n endif\n290 continue\n do 390 i = 1,64\n if(b(i).ne.0)then\n jcount = jcount + 1\n temparray(jcount+icount,1) = real(d(i))\n\ttemparray(jcount+icount,2) = b(i)\n\ttemparray(jcount+icount,3) = real(f(i))\n\n endif\n390 continue\n do 490 i = 1,64\n if(e(i).ne.0)then\n kcount = kcount + 1\n temparray(kcount+icount+jcount,1) = real(e(i))\n\ttemparray(kcount+icount+jcount,2) = 1.\n\ttemparray(kcount+icount+jcount,3) = real(f(i))\n\n endif\n490 continue\n rewind(8)\n do 590 i = 1,icount\n\n ix = int(temparray(i,1))\n y = temparray(i,2)\n iz = int(temparray(i,3))\n\n nlcdmap(ix,1)=iz\n nlcdmap(ix,2)=y\n590 continue\n do 690 i = 1,jcount\n\n ix = int(temparray(i+icount,1))\n y = temparray(i+icount,2)\n iz = int(temparray(i+icount,3))\n\n usgsmap(ix,1)=iz\n usgsmap(ix,2)=y\n690 continue\n do 790 i = 1,kcount\n\n ix = int(temparray(i+icount+jcount,1))\n y = temparray(i+icount+jcount,2)\n iz = int(temparray(i+icount+jcount,3))\n\n modismap(ix,1)=iz\n modismap(ix,2)=y\n790 continue\n do 890 i = 1,icount\n nlcdtype(i,1) = real(i)\n nlcdtype(i,2) = nlcdmap(i,1)\n nlcdtype(i,3) = nlcdmap(i,2)\n\n890 continue \n do 990 i = 1,jcount\n usgstype(i,1) = real(i)\n usgstype(i,2) = usgsmap(i,1)\n usgstype(i,3) = usgsmap(i,2)\n\n990 continue\n do 1090 i = 1,kcount\n modistype(i,1) = real(i)\n modistype(i,2) = modismap(i,1)\n modistype(i,3) = modismap(i,2)\n\n1090 continue\n\n! NLCD Map\n do 2190 i = 1,icount\n do 2170 nn = 1,n\n nlcd_spectra(i,nn,1) = bin_spectra(int(nlcdtype(i,2)),nn,1)\n nlcd_spectra(i,nn,2) = bin_spectra(int(nlcdtype(i,2)),nn,2)\n & *nlcdtype(i,3)\n nlcd_spectra(i,nn,2) = min(nlcd_spectra(i,nn,2),1.00)\n nlcd_spectra(i,nn,2) = max(nlcd_spectra(i,nn,2),0.00)\n write(6,2000)i,nn,nlcdtype(i,2),nlcdtype(i,3),nlcd_spectra(i,nn,1),nlcd_spectra(i,nn,2) \n2000 format(2i6,4f12.4)\n2170 continue\n2190 continue\n pause\n! USGS MAP\n do 3190 i = 1,jcount\n do 3170 nn = 1,n\n usgs_spectra(i,nn,1) = bin_spectra(int(usgstype(i,2)),nn,1)\n usgs_spectra(i,nn,2) = bin_spectra(int(usgstype(i,2)),nn,2)\n & *usgstype(i,3)\n usgs_spectra(i,nn,2) = min(usgs_spectra(i,nn,2),1.00)\n usgs_spectra(i,nn,2) = max(usgs_spectra(i,nn,2),0.00)\n write(6,2000)i,nn,usgstype(i,2),usgstype(i,3),usgs_spectra(i,nn,1),usgs_spectra(i,nn,2)\n3170 continue\n3190 continue\n pause\n! MODIS Map \n do 4190 i = 1,kcount\n do 4170 nn = 1,n\n modis_spectra(i,nn,1) = bin_spectra(int(modistype(i,2)),nn,1)\n modis_spectra(i,nn,2) = bin_spectra(int(modistype(i,2)),nn,2)\n & *modistype(i,3)\n modis_spectra(i,nn,2) = min(modis_spectra(i,nn,2),1.00)\n modis_spectra(i,nn,2) = max(modis_spectra(i,nn,2),0.00)\n write(6,2000)i,nn,modistype(i,2),modistype(i,3),modis_spectra(i,nn,1),modis_spectra(i,nn,2)\n4170 continue\n4190 continue\n pause\n\n return\n end \n!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!\n subroutine nlcdusgsmodis(\n & albedomap)\n\n implicit none\n integer i,j\n INTEGER, PARAMETER :: NUMB_MAPS = 6\n INTEGER, PARAMETER :: NUMB_CATA_BINS = 64\n real*4 categorymap(6,64),albedomap(6,64)\n\n\n \n! NLCD2MODIS,USGS2MODIS,NLCD2SPEC,USGS2SPEC,MODIS2SPEC,SPEC\n\n data categorymap /\n & 0,\t0,\t0,\t0,\t0,\t0\n &, 0,\t0,\t0,\t0,\t0,\t0\n &, 1,\t0,\t1,\t0,\t0,\t17\n &, 1.0,\t0,\t2,\t0,\t0,\t15\n &, 1.0667,\t0,\t3,\t0,\t0,\t13\n &, 1.1333,\t0,\t4,\t0,\t0,\t13\n &, 1.0667,\t0,\t5,\t0,\t0,\t13\n &, 1.1333,\t0,\t6,\t0,\t0,\t13\n &, 0.8,\t0,\t7,\t0,\t0,\t16\n &, 1.4,\t0,\t8,\t0,\t0,\t16\n &, 0.9375,\t0,\t9,\t0,\t0,\t4\n &, 0.8333,\t0,\t10,\t0,\t0,\t1\n &, 1,\t0,\t11,\t0,\t0,\t5\n &, 1,\t0,\t12,\t0,\t0,\t7\n &, 1,\t0,\t13,\t0,\t0,\t7\n &, 1.1364,\t0,\t14,\t0,\t0,\t8\n &, 1.0455,\t0,\t15,\t0,\t0,\t8\n &, 1.0526,\t0,\t16,\t0,\t0,\t10\n &, 1.0526,\t0,\t17,\t0,\t0,\t10\n &, 1,\t1,\t18,\t22,\t0,\t18\n &, 1.2778,\t0,\t19,\t0,\t0,\t14\n &, 1.1765,\t1.0588,\t20,\t4,\t0,\t12\n &, 1.0714,\t1,\t21,\t17,\t0,\t11\n &, 1.0714,\t0,\t22,\t0,\t0,\t11\n &, 1.0714,\t0,\t23,\t0,\t0,\t11\n &, 1.0714,\t0,\t24,\t0,\t0,\t11\n &, 1.0714,\t0,\t25,\t0,\t0,\t11\n &, 1.2857,\t0,\t26,\t0,\t0,\t11\n &, 1.2857,\t0,\t27,\t0,\t0,\t11\n &, 1.2857,\t0,\t28,\t0,\t0,\t11\n &, 1.25,\t0,\t29,\t0,\t0,\t17\n &, 1.25,\t0,\t30,\t0,\t0,\t17\n &, 1,\t0,\t31,\t0,\t0,\t17\n &, 1,\t1,\t32,\t14,\t1,\t1\n &, 1,\t1,\t33,\t13,\t2,\t2\n &, 1,\t1,\t34,\t12,\t3,\t3\n &, 1,\t1,\t35,\t11,\t4,\t4\n &, 1,\t1,\t36,\t15,\t5,\t5\n &, 1,\t1,\t37,\t8,\t6,\t6\n &, 1,\t1,\t38,\t9,\t7,\t7\n &, 1,\t0,\t39,\t0,\t8,\t8\n &, 1,\t1,\t40,\t10,\t9,\t9\n &, 1,\t1,\t41,\t7,\t10,\t10\n &, 1,\t1,\t42,\t18,\t11,\t11\n &, 1,\t1,\t43,\t2,\t12,\t12\n &, 1,\t1,\t44,\t1,\t13,\t13\n &, 1,\t0,\t45,\t0,\t14,\t14\n &, 1,\t1,\t46,\t24,\t15,\t15\n &, 1,\t1,\t47,\t19,\t16,\t16\n &, 1,\t1,\t48,\t16,\t17,\t17\n &, 1,\t0,\t49,\t0,\t0,\t17\n &, 1,\t0,\t50,\t0,\t0,\t17\n &, 0,\t0,\t0,\t0,\t0,\t0\n &, 0,\t1,\t0,\t20,\t19,\t18\n &, 0,\t1,\t0,\t21,\t18,\t18\n &, 0,\t0,\t0,\t0,\t0,\t0\n &, 0,\t1,\t0,\t23,\t20,\t18\n &, 0,\t0,\t0,\t0,\t0,\t0\n &, 0,\t1.0588,\t0,\t3,\t0,\t12\n &, 0,\t0,\t0,\t0,\t0,\t0\n &, 0,\t1,\t0,\t5,\t0,\t14\n &, 0,\t0.8889,\t0,\t6,\t0,\t14\n &, 0,\t0,\t0,\t0,\t0,\t19\n &, 0,\t0,\t0,\t0,\t0,\t20 /\n\n do 190 i = 1,64\n do 170 j = 1,6\n\t albedomap(j,i) = categorymap(j,i)\n170 continue\n190 continue \n return\n end\n!***********************************************************************\n!1\tAsner, G. Biophysical and biochemical sources of variability in canopy reflectance. \n!\tRemote Sens. Environ. 64:234-253, 1998.\n!\n!2\tBelward, A., and T. Loveland. The DIS 1km Land Cover Data Set, Global Change, The \n!\tIGBP Newsletter, #27, Sep., 1996. \n!\n!3\tBetts, A. K., and J. H. Ball. Albedo over the Boreal Forest, \n!\tJ. Geophys. Res., 102, 28901-28909, 1997. \n!\n!4\tBlumthaler, M., and W. Ambach. Solar UVB-albedo of various surfaces. \n!\tPhotochem. Photobiol. 48(1) 85-88, 1988.\n!\n!5\tBowker, D. E., R. E. Davis, D. L. Myrick, K. Stacy, and W. T. Jones. \n!\tSpectral Reflectances of Natural Targets for use in Remote Sensing Studies, \n!\tNASA Ref. Pub., 1139, June 1985.\n!\n!6\tBriegleb, B. P., P. Minnis, V. Ramanathan, and E. Harrison. Comparison of Regional \n!\tClear-Sky Albedos Inferred from Satellite Observations and Models Comparisons, \n!\tJ. Clim. Appl. Meteor., 25, 214-226, 1986. \n!\n!7\tBriegleb, B. P., and V. Ramanathan. Spectral and Diurnal Variations in Clear Sky \n!\tPlanetary Albedo, J. Appl. Meteor., 21, 1160-1171, 1982. \n!\n!8\tCoddington, Odele, K. S. Schmidt, P. Pilewskie, W. J. Gore, R. W. Bergstrom, \n!\tM. Roman, J. Redemann, P. B.Russell, J. Liu, and C. C. Schaaf. Aircraft measurements of \n!\tspectral surface albedo and its consistency with ground-based and space-borne observations. \n!\tJ. Geophys. Res. 113 (D17209), 2008.\n!\n!9\tDozier, J. Spectral signature of alpine snow cover from the Landsat Thematic Mapper. \n!\tRemote Sens. Environ. 28:9-22, 1989.\n!\n!10\tDozier, J., R. E. Davis, and R. Perla. On the objective analysis of snow microstructure. \n!\tAvalanche Formation, Movement and Effects (proceedings of the Davos Symposium, Sept. 1986. \n!\tIAHS Publ. no. 162, 1987.\n!\n!11\tDozier, J. and T. H. Painter. Multispectral and hyperspectral remote sensing of alpine \n!\tsnow properties. Annu. Rev. Earth Planet. Sci. 32:465-94, 2004.\n!\n!12\tDozier, J, and S. G. Warren. Effect of viewing angle on the infrared brightness \n!\ttemperature of snow. Water Resources Research, 18(5) 1424-1434, 1982.\n!\n!13\tFeister, U., and R. Grewe. Spectral albedo measurements in the uv and visible region \n!\tover different types of surfaces. Photochem.Photbiol. 62(4) 736-744, 1995.\n!\n!14\tFu, Qiang, and K.N. Liou. ON the Correlated k-Distribution Moethod for Radiative \n!\tTransfer in Nonhomogeneous Atmospheres. J. Atmos. Sci. 49(22) 2139-2156, 1992.\n!\n!15\tGrenfell, T. C. and D. K. Perovich. Spectral albedos of sea ice and incident solar \n!\tirradiance in the Southern Beaufort Sea, J. Geophys. Res., 89, 3573-3580. 1984.\n!\n!16\tGrenfell, T. C., S. G. Warren, and P. C. Mullen. Reflection of Solar Radiation By \n!\tThe Antarctic Snow Surface at Ultraviolet, Visible, and Near-Infrared Wavelengths, J. Geophys. Res., 99, 18669-18684, 1994. \n!\n!17\tHansen, F. V. Albedos. Army Research Laboratory. ARL-TR-57, 1993.\n!\n!18\tJin, Y, C.B. Schaaf, F. Gao, X. Li, and A.H. Strahler. How does snow impact\n!\tthe albedo of vegetated land surfaces as analysized with MODIS data? Geophys. Res.\n!\tLett. 29(10) 1374. 2002\n!19\tKoelemeijer, R. B. A., J. F. de Haan, and P. Stammes. A database of spectral surface \n!\treflectivity in the range 335-772 nm derived from 5.5 years of GOME observations. \n!\tJ. Geophys. Res. 108(D2) 4070, 2003.\n!\n!20\tLaepple, T. and M. G. Schultz. Improved albedo formulation for chemistry transport \n!\tmodels based on satellite observations and assimilated snow data and its impact on tropospheric \n!\tphotochemistry. J. Geophys. Res. 110(D) 11308, 2005.\n!\n!21\tLundberg, A, and J. Beringer. Albedo and snowmelt rates across a trundra-to-forest \n!\ttransition. 15th Inter. Northern Research Basins Symposium and Workshop, Lulea, Sweden, \n!\t29 Aug ? 2 Sep, 2005.\n!\n!22\tMichalsky, J. J., Q. L. Min, J. C. Barnard, R. T.Marchand, P. Pilewskie. Simultaneous \n!\tspectral albedo measurements near the ARM SGP central facility. Twelfth ARM Science Team Meeting \n!\tProceedings, St. Petersburg, FL, USA. April 8-12, 2002.\n!\n!23\tMoody, E.G, M.D. King, S. Platnick, C.B. Schaaf, F. Gao. Spatially complete global spectral \n!\tsurface albedos: value-added datasets derived from Terra MODIS land products. IEEE Trans. \n!\tOn Geoscience and Remote Sens. 43(1) 144-158. 2005. \n!\n!24\tMoody, E.G, M.D. King, C.B. Schaaf, D.K. Hall, and S. Platnick. Northern Hemisphere \n!\tfive-year average (2000-2004) spectral albedos of surfaces in the presence of snow: Statistics \n!\tcomputed from Terra MODIS land products. Remote Sens. Environment. 111, 337-345. 2007.\n!\n!25\tPayne, R. E., Albedo of the Sea Surface, J. Atmos. Sci., 29, 959-970, 1972. \n!\n!26\tPetzold, D. E., and A. N. Rencz. The albedo of selected subarctic surfaces. Arctic and \n!\tAlpine Res. 7(4) 393-8, 1975.\n!\n!27\tPinker, R. T., and A. Karnieli. Characteristic Spectral Reflectance of a semi-arid environment, \n!\tInt. J. Rem. Sens., 1995. \n!\n!28\tPrivette, J. L, T. F. Eck, D. W. Deering. Estimating spectral albedo and nadir reflectance \n!\tthrough inversion of simple BRDF models with AVHRR/MODIS-like data. \n!\tJ. Geophys. Res. 102(D24) 29,529-29,542, 1997.\n!\n!29\tRoesch, A., C. Schaaf, and F. Gao. Use of Moderate-Resolution Imaging Spectroradiometer \n!\tbidirectional reflectance distribution function products to enhance simulated surface albedos. \n!\tJ. Geophys. Res. 109(D) 12,105, 2004.\n!\n!30\tStaylor W. F. and A.C. Wilber. Global surface albedos estimated from ERBE data, \n!\tProceedings, 7th Conf. on Atmos. Rad., San Francisco, CA, 1990. \n!\n!31\tTaberner, M. B. Pinty, Y. Govaerts, S. Liang, M.M. Verstraete, N. Gobron, and J.L. Widlowski. \n!\tComparison of MISR and MODIS land surface albedos: methodology. \n!\tJ. Geophys. Res. 115(D) 05101, 2010.\n!\n!32\tTsuyuzaki, S., K Kushida, Y Kodama. Recovery of surface albedo and plant cover\n!\tafter wildfire in a Picea mariana forest in interior Alaska. Climatic Change 93:517?525, 2009.\n!\n!33\tWilber, A.C., D. P. Kratz, S. K. Gupta, Surface Emissivity Maps for Use of Satellite \n!\tRetrievals of Longwave Radiation, NASA Tech. Pub., TP-99-209362, 1999.\n!\n!34\tWendisch, M. P. Pilewskie, E. Jakel, S. Schmidt, J. Pommier, S. Howard, H.H. Jonsson, \n!\tH Guan, M. Schroder, and B. Mayer. Airborne measurements of areal spectral surface albedo over \n!\tdifferent sea and land surfaces. J. Geophys. Res. 109(D) 08203, 2004.\n!\n!35\tWarren, S. G., and W. J. Wiscombe. A model for the spectral albedo of snow. \n!\tII: Snow containing atmospheric aerosols. J. Atmosph. Sci. 37(12) 2734-45, 1980.\n!\n" }, { "path": "UTIL/inline_phot_preproc/src/vegeland_striecher.f", "content": " program veg\n\n! PURPOSE: For specified photolysis module (\"INLINE\", or \"SPHERAD\"),\n! and for specified solar zenith angle (sza), Julian day (jd), and\n! snow flag (snowflag), returns reflectances (spectral albedos) for \n! each of 3 landuse categorization schemes (NLCD, USGS, and MODIS) \n! that are specific to the solar zenith angle, Julian day, snow \n! conditions,and the spectral bin structure of the photolysis module.\n\n! ADVISORY:\tThis module should be called when sza, jd, or snowflag changes\n\n! DEVELOPED:\tAugust 2010. John Streicher USEPA/ORD/NERL/AMAD\n\n! INPUT: \trtmodule,sza[deg],jd [integer],snowflag [0=no;1=yes]\n! OUTPUT:\treflectance\n! CALLS:\treflectances,season_correction,spectralalbedo,mapalbedo\n! CALLED BY:\tmain\n\n implicit none\n character*7 rtmodule\n integer jd,snowflag,n,isza,i\n \n real*4 sza,specalbsza(20,15,2),specalbszassn(20,15,2)\n & ,bin_spectra(50,50,2),nlcd_spectra(50,50,2)\n & ,usgs_spectra(50,50,2),modis_spectra(50,50,2)\n\n! The following (sza; rtmodule='INLINE', or 'SPHERAD'; jd; snowflag) \n! are temporarily hardcoded. \n! Replace with user-selected values when incorporated into MCIP or WRF-CMAQ.\n\n\n CHARACTER(80) :: LAND_SCHEME ! land use scheme used \n INTEGER, PARAMETER :: NUMB_REF = 20 ! # of land categories in reference\n INTEGER, PARAMETER :: NUMB_SCHEME = 50 ! # of land categories in LAND_SCHEME\n REAL, ALLOCATABLE :: ALBEDO_REF_TO_SCHEME( :, :)\n\n INTERFACE\n SUBROUTINE ALBEDO_MAP(LAND_SCHEME, NUMB_REF, NUMB_SCHEME, ALBEDO_REF_TO_SCHEME)\n IMPLICIT NONE\n CHARACTER(80), INTENT( IN ) :: LAND_SCHEME ! land use scheme used \n INTEGER, INTENT( IN ) :: NUMB_REF ! # of land categories in reference\n INTEGER, INTENT( IN ) :: NUMB_SCHEME ! # of land categories in LAND_SCHEME\n REAL, INTENT( OUT ) :: ALBEDO_REF_TO_SCHEME( :, :)\n END SUBROUTINE ALBEDO_MAP\n END INTERFACE\n\n rtmodule = 'INLINE'\n sza = 30. \n jd = 180\n snowflag = 0\n \n call reflectances(sza\n & ,specalbsza)\n\n call season_correction(specalbsza,jd,snowflag\n & ,specalbszassn)\n\n call spectralalbedo(specalbszassn,rtmodule\n & ,n,bin_spectra )\n \n bin_spectra = 0.0\n\n call mapalbedo(n,bin_spectra\n & ,nlcd_spectra,usgs_spectra,modis_spectra )\n\n ALLOCATE( ALBEDO_REF_TO_SCHEME( NUMB_SCHEME, NUMB_REF) )\n\n\n LAND_SCHEME = 'NLCD-MODIS' \n CALL ALBEDO_MAP(LAND_SCHEME, NUMB_REF, NUMB_SCHEME, ALBEDO_REF_TO_SCHEME)\n\n LAND_SCHEME = 'USGS24'\n CALL ALBEDO_MAP(LAND_SCHEME, NUMB_REF, NUMB_SCHEME, ALBEDO_REF_TO_SCHEME)\n\n LAND_SCHEME = 'MODIS'\n CALL ALBEDO_MAP(LAND_SCHEME, NUMB_REF, NUMB_SCHEME, ALBEDO_REF_TO_SCHEME)\n\n \n stop\n end\n!*********************************************************************** \n SUBROUTINE SPECTRAL_REFLECT_DRAFT(NWAVE, WAVE, NUSES, ALBEDO, LANDUSE, \n & ZENITH_COEFF, SEASON_COEFF, SNOW_COEFF)\n\n! PURPOSE: Populate array ALBEDO with wavelength dependent reflectances (i.e.\n!\t spectral albedos) for 20 MODIS land use types. Also returns correction factors\n! for solar zenith angle and season. Note that an adjustment is applied to \n! better match spectral estimates for each land use type.\n\n! REFERENCE: CERES/SARB Surface Properties database, May 2006\n! http://www-surf/larc.nasa.gov/surf/pages/data-page.html\n\n! INPUT: \tSOLAR_ZENITH [deg]\n! OUTPUT: \tNWAVE \n! ALBEDO(20,15)\n! CALLS: \tnone\n! CALLED BY: \tveg\n \n\n\n implicit none\n INTEGER, PARAMETER :: NUMB_LANDUSE_MODIS = 20\n INTEGER, PARAMETER :: NUMB_BANDS_MODIS = 15\n\n\n INTEGER NWAVE\n REAL WAVE(NUMB_BANDS_MODIS)\n\n INTEGER NUSES\n REAL ALBEDO(NUMB_LANDUSE_MODIS,NUMB_BANDS_MODIS)\n\n CHARACTER(30) LANDUSE(NUMB_LANDUSE_MODIS)\n\n REAL ZENITH_COEFF( NUMB_LANDUSE_MODIS )\n REAL SNOW_COEFF( NUMB_LANDUSE_MODIS )\n REAL SEASON_COEFF( NUMB_LANDUSE_MODIS )\n\n REAL(4) SPECTRAL_ALBEDO(NUMB_BANDS_MODIS,NUMB_LANDUSE_MODIS),\n & dterm(NUMB_LANDUSE_MODIS),\n & ALBEDO_WAVE(NUMB_BANDS_MODIS),\n & specenhancement,u0,SOLAR_ZENITH,MODIS2SPECTRAL(NUMB_LANDUSE_MODIS)\n\n REAL( 8 ) :: PI\n\n REAL( 4 ) :: ZENITH_CORRECTION\n\n REAL( 4 ) :: WVBAND( NUMB_BANDS_MODIS )\n DATA WVBAND / \n & 200.05, 234.3, 264.8, 292.1, 310.5,\n & 340.0, 397.5, 467.5, 546.25, 642.3,\n & 1000.0, 1550.0, 2150.0, 3000.0, 3750.0 /\n\n integer i,j,k\n\n\n! *** Spectral Reflectances\n\n DATA (SPECTRAL_ALBEDO(IWL, 1), IWL = 1, NUMB_BANDS_MODIS) / \n & 0.032, 0.032, 0.032, 0.032, 0.032 ! (1) EVERGREEN NEEDLE FOREST\n & , 0.032, 0.032, 0.032, 0.046, 0.046 \n & , 0.235, 0.096, 0.038, 0.038, 0.038 /\n\n DATA (SPECTRAL_ALBEDO(IWL, 2), IWL = 1, NUMB_BANDS_MODIS) / \n & 0.044, 0.044, 0.044, 0.044, 0.044 ! ( 2) EVERGREEN BROADLEAF FOR\n & , 0.044, 0.044, 0.044, 0.044, 0.044 ! (Tropical Forest)\n & , 0.234, 0.193, 0.112, 0.112, 0.112 /\n\n DATA (SPECTRAL_ALBEDO(IWL, 3), IWL = 1, NUMB_BANDS_MODIS) / \n & 0.032, 0.032, 0.032, 0.032, 0.032 ! ( 3) DECIDUOUS NEEDLE FOREST\n & , 0.032, 0.032, 0.032, 0.046, 0.046 \n & , 0.235, 0.096, 0.038, 0.038, 0.038 / \n\n DATA (SPECTRAL_ALBEDO(IWL, 4), IWL = 1, NUMB_BANDS_MODIS) / \n & 0.034, 0.034, 0.034, 0.034, 0.034 ! ( 4) DECIDUOUS BROADLEAF FOR\n & , 0.034, 0.034, 0.034, 0.066, 0.067 \n & , 0.312, 0.276, 0.160, 0.160, 0.160 / \n\n DATA (SPECTRAL_ALBEDO(IWL, 5), IWL = 1, NUMB_BANDS_MODIS) / \n & 0.033, 0.033, 0.033, 0.033, 0.033 ! ( 5) MIXED FOREST\n & , 0.033, 0.033, 0.033, 0.056, 0.057 \n & , 0.274, 0.186, 0.099, 0.099, 0.099 /\n\n DATA (SPECTRAL_ALBEDO(IWL, 6), IWL = 1, NUMB_BANDS_MODIS) / \n & 0.010, 0.010, 0.010, 0.015, 0.017 ! ( 6) CLOSED SHRUBS\n & , 0.020, 0.036, 0.045, 0.055, 0.156 \n & , 0.350, 0.239, 0.101, 0.101, 0.101 /\n\n DATA (SPECTRAL_ALBEDO(IWL, 7), IWL = 1, NUMB_BANDS_MODIS) / \n & 0.095, 0.095, 0.095, 0.095, 0.095 ! ( 7) OPEN/SHRUBS\n & , 0.095, 0.098, 0.104, 0.122, 0.157 \n & , 0.231, 0.330, 0.311, 0.150, 0.150 /\n\n DATA (SPECTRAL_ALBEDO(IWL, 8), IWL = 1, NUMB_BANDS_MODIS) / \n & 0.020, 0.020, 0.020, 0.023, 0.024 ! ( 8) WOODY SAVANNA (Decid Broadleaf*0.4 + Grass*0.6)\n & , 0.026, 0.035, 0.041, 0.102, 0.104 \n & , 0.366, 0.291, 0.151, 0.107, 0.107 /\n\n DATA (SPECTRAL_ALBEDO(IWL, 9), IWL = 1, NUMB_BANDS_MODIS) / \n & 0.010, 0.010, 0.010, 0.015, 0.017 ! ( 9) SAVANNA \n & , 0.020, 0.036, 0.045, 0.126, 0.129 \n & , 0.402, 0.301, 0.145, 0.071, 0.071 /\n\n DATA (SPECTRAL_ALBEDO(IWL, 10), IWL = 1, NUMB_BANDS_MODIS) / \n & 0.010, 0.010, 0.010, 0.015, 0.017 ! (10) GRASSLAND \n & , 0.020, 0.036, 0.045, 0.126, 0.129 \n & , 0.402, 0.301, 0.145, 0.071, 0.071 /\n\n DATA (SPECTRAL_ALBEDO(IWL, 11), IWL = 1, NUMB_BANDS_MODIS) / \n & 0.039, 0.039, 0.039, 0.039, 0.039 ! (11) PERMANENT WETLANDS\n & , 0.039, 0.039, 0.039, 0.051, 0.071 \n & , 0.164, 0.100, 0.056, 0.056, 0.056 /\n\n DATA (SPECTRAL_ALBEDO(IWL, 12), IWL = 1, NUMB_BANDS_MODIS) / \n & 0.010, 0.010, 0.010, 0.015, 0.017 ! (12) CROPLAND \n & , 0.020, 0.036, 0.045, 0.115, 0.099 \n & , 0.442, 0.271, 0.122, 0.059, 0.059 / \n\n DATA (SPECTRAL_ALBEDO(IWL, 13), IWL = 1, NUMB_BANDS_MODIS) / \n & 0.052, 0.052, 0.052, 0.052, 0.052 ! (13) URBAN\n & , 0.052, 0.052, 0.066, 0.104, 0.114 \n & , 0.304, 0.258, 0.258, 0.258, 0.258 /\n\n DATA (SPECTRAL_ALBEDO(IWL, 14), IWL = 1, NUMB_BANDS_MODIS) / \n & 0.010, 0.010, 0.010, 0.015, 0.017 ! (14) CROP MOSAIC\n & , 0.020, 0.036, 0.045, 0.090, 0.083 \n & , 0.377, 0.273, 0.141, 0.110, 0.110 /\n\n DATA (SPECTRAL_ALBEDO(IWL, 15), IWL = 1, NUMB_BANDS_MODIS) / \n & 0.910, 0.910, 0.910, 0.916, 0.921 ! (15) PERMANENT SNOW \n & , 0.931, 0.947, 0.964, 0.953, 0.920 \n & , 0.635, 0.013, 0.006, 0.009, 0.014 / \n\n DATA (SPECTRAL_ALBEDO(IWL, 16), IWL = 1, NUMB_BANDS_MODIS) / \n & 0.144, 0.144, 0.144, 0.144, 0.144 ! (16) BARREN/DESERT\n & , 0.144, 0.144, 0.179, 0.263, 0.331 \n & , 0.405, 0.390, 0.390, 0.390, 0.390 /\n\n DATA (SPECTRAL_ALBEDO(IWL, 17), IWL = 1, NUMB_BANDS_MODIS) / \n & 0.066, 0.066, 0.066, 0.070, 0.073 ! (17) OCEAN WATER\n & , 0.082, 0.094, 0.091, 0.078, 0.072 \n & , 0.066, 0.062, 0.055, 0.044, 0.069 /\n\n DATA (SPECTRAL_ALBEDO(IWL, 18), IWL = 1, NUMB_BANDS_MODIS) / \n & 0.180, 0.180, 0.180, 0.180, 0.180 ! (18) TUNDRA (modified with Lundberg et al)\n & , 0.180, 0.180, 0.180, 0.180, 0.180 \n & , 0.247, 0.265, 0.265, 0.265, 0.265 /\n\n DATA (SPECTRAL_ALBEDO(IWL, 19), IWL = 1, NUMB_BANDS_MODIS) / \n & 0.979, 0.979, 0.979, 0.980, 0.982 ! (19) FRESH SNOW \n & , 0.984, 0.988, 0.992, 0.989, 0.982 \n & , 0.902, 0.143, 0.168, 0.019, 0.015 / \n\n DATA (SPECTRAL_ALBEDO(IWL, 20), IWL = 1, NUMB_BANDS_MODIS) / \n & 0.778, 0.778, 0.778, 0.778, 0.778 ! (20) SEA ICE\n & , 0.778, 0.778, 0.778, 0.778, 0.752 \n & , 0.393, 0.055, 0.054, 0.036, 0.036 /\n\n\n! *** Land-use type-dependent solar zenith adjustment factor \n\n \n! The following scale factors are applied to the spectral albedos to bring\n! them into closer agreement (in the visible spectrum) with the MODIS fixed albedos \n \n data MODIS2SPECTRAL /\n & 3.5, ! (1)\n & 2.5, ! (2)\n & 4.0, ! (3)\n & 2.5, ! (4)\n & 3.0, ! (5)\n & 3.0, ! (6)\n & 2.0, ! (7)\n & 2.5, ! (8)\n & 1.5, ! (9)\n & 2.0, ! (10)\n & 2.0, ! (11)\n & 1.5, ! (12)\n & 1.5, ! (13)\n & 2.5, ! (14)\n & 1.0, ! (15)\n & 1.0, ! (16)\n & 1.0, ! (17)\n & 1.0, ! (18)\n & 1.0, ! (19)\n & 1.0 / ! (20)\n\n INTEGER :: IWL\n\n NWAVE = NUMB_BANDS_MODIS\n NUSES = NUMB_LANDUSE_MODIS\n\n ALBEDO = 0.0\n\n pi = dacos(-1.d0)\n\n\n LANDUSE( 1:NUSES ) = ( /\n & 'EVERGREEN NEEDLE FOREST'\n &,'EVERGREEN BROADLEAF FOREST'\n &,'DECIDUOUS NEEDLE FOREST'\n &,'DECIDUOUS BROADLEAF FOREST'\n &,'MIXED FOREST'\n &,'CLOSED SHRUBS'\n &,'OPEN / SHRUBS'\n &,'WOODY SAVANNA'\n &,'SAVANNA'\n &,'GRASSLAND'\n &,'PERMANENT WETLANDS'\n &,'CROPLAND'\n &,'URBAN'\n &,'CROP MOSAIC'\n &,'PERMANENT SNOW'\n &,'BARREN / DESSERT'\n &,'OCEAN WATER'\n &,'TUNDRA'\n &,'FRESH SNOW'\n &,'SEA ICE' / )\n \n\n SEASON_COEFF( 1:NUSES ) = (/\n & 0.73 ! EVERGREEN NEEDLE FOR\n &, 0.84 ! EVERGREEN BROADLEAF FOR\n &, 0.77 ! DECIDUOUS NEEDLE FOR\n &, 0.73 ! DECIDOUS BROAD FOR\n &, 0.78 ! MIXED FOREST\n &, 0.73 ! CLOSED SHRUBS\n &, 0.77 ! OPEN/SHRUBS\n &, 0.78 ! WOODY SAVANNA\n &, 0.78 ! SAVANNA\n &, 0.79 ! GRASSLAND\n &, 0.78 ! WETLAND\n &, 0.80 ! CROPLAND\n &, 0.67 ! URBAN\n &, 0.80 ! CROP MOSAIC\n &, 1.00 ! PERMANENT SNOW\n &, 0.96 ! BARREN/DESERT\n &, 1.00 ! OCEAN WATER\n &, 0.25 ! TUNDRA\t\t(modified with Lundberg et al (2005))\n &, 1.00 ! FRESH SNOW\n &, 1.00 /) ! SEA ICE\n\n ZENITH_COEFF( 1:NUSES ) = (/\n & 0.40, ! ( 1) EVERGREEN NEEDLE FOR \n & 0.44, ! ( 2) EVERGREEN BROAD FOR \n & 0.32, ! ( 3) DECIDUOUS NEEDLE FOR\n & 0.39, ! ( 4) DECIDUOUS BROAD FOR\n & 0.22, ! ( 5) MIXED FOREST\n & 0.28, ! ( 6) CLOSED SHRUBS\n & 0.40, ! ( 7) OPEN/SHRUBS\n & 0.47, ! ( 8) WOODY SAVANNA\n & 0.53, ! ( 9) SAVANNA\n & 0.53, ! (10) GRASSLAND\n & 0.35, ! (11) WETLAND\n & 0.41, ! (12) CROPLAND (CAGEX-APR)\n & 0.10, ! (13) URBAN\n & 0.40, ! (14) CROP MOSAIC\n & 0.10, ! (15) ANTARCTIC SNOW\n & 0.40, ! (16) BARREN/DESERT\n & 0.41, ! (17) OCEAN WATER\n & 0.58, ! (18) TUNDRA\n & 0.10, ! (19) FRESH SNOW\n & 0.10 /) ! (20) SEA ICE\n\n SNOW_COEFF( 1:NUSES ) = (/\n & 3.0 ! EVERGREEN NEEDLE FOR\n &, 4.1 ! EVERGREEN BROADLEAF FOR\n &, 3.1 ! DECIDUOUS NEEDLE FOR\n &, 2.7 ! DECIDUOUS BROADLEAF FOR\n &, 3.0 ! MIXED FOREST\n &, 2.2 ! CLOSED SHRUBS\n &, 3.6 ! OPEN/SHRUBS\n &, 2.1 ! WOODY SAVANNA\n &, 3.0 ! SAVANNA\n &, 3.8 ! GRASSLAND\n &, 4.9 ! WETLAND\n &, 4.5 ! CROPLAND\n &, 3.6 ! URBAN\n &, 3.6 ! CROP MOSAIC\n &, 1.7 ! PERMANENT SNOW\n &, 3.5 ! BARREN/DESERT\n &, 1.0 ! OCEAN WATER\n &, 4.0 ! TUNDRA\t\t(modified with Lundberg et al (2005))\n &, 1.0 ! FRESH SNOW\n &, 1.3 /)! SEA ICE\n \n!The folowing loops indicate use LUC (as \"j), and band (as \"i\")\n\n u0 = 0.5 ! dcos((pi/180.d0)*SOLAR_ZENITH)\n\n SOLAR_ZENITH = PI/180.0D0*DACOS(0.5D0)\n\n DO 270 J = 1,20\n \n DO 250 I = 1,15\n\n ZENITH_CORRECTION = (1.0 + ZENITH_COEFF(j))\n & / (1.0 + 2.0*u0*ZENITH_COEFF(j))\n\n ZENITH_CORRECTION = MAX(0.8,ZENITH_CORRECTION)\n\n ALBEDO_WAVE(I) = WVBAND(I)\n ALBEDO(J, I) = MIN(1.0, (ZENITH_CORRECTION*SPECTRAL_ALBEDO(I, J)))\n\n IF((modis2spectral(j)*ALBEDO(J, I)).LE. 1.0)THEN\n ALBEDO(J, I) = modis2spectral(j)*ALBEDO(J, I)\n ELSE\n ALBEDO(J ,I) = 1.0\n ENDIF\n\t \n250 continue\n270 continue\n\n!Output is specalbsza(j,i,2): 20 spectral albedos x 15 bands\n\n return\n end\n!*********************************************************************** \n subroutine reflectances(sza\n & ,specalbsza)\n\n! PURPOSE: Populate array specalbsza with sza-specific reflectances (i.e.\n!\t spectral albedos) for each of 20 land use types. Correct for\n! solar zenith angle, and adjust spectral albedos to better match\n! MODIS non-spectral estimates for each MODIS land use type.\n\n! REFERENCE: CERES/SARB Surface Properties database, May 2006\n! http://www-surf/larc.nasa.gov/surf/pages/data-page.html\n\n! INPUT: \tsza[deg]\n! OUTPUT: \tspecalbsza(20,15,2)\n! CALLS: \tnone\n! CALLED BY: \tveg\n \n\n\n implicit none\n character*30 landuse(20)\n integer i,j,k\n real*4 bands(15),specalb(15,20),dterm(20),specalbsza(20,15,2)\n & ,pi,specenhancement,u0,sza,modis2spectral(20)\n\n specalbsza(1:20,1:15,1:2) = 0.0\n\n pi = dacos(-1.d0)\n\n\n data bands / \n & 200.05, 234.3, 264.8, 292.1, 310.5\n & , 340.0, 397.5, 467.5, 546.25, 642.3\n & , 1000.0, 1550.0, 2150.0, 3000.0, 3750.0 /\n\n! *** Spectral Reflectances\n\n data specalb / \n & 0.032, 0.032, 0.032, 0.032, 0.032 ! (1) EVERGREEN NEEDLE FOREST\n & , 0.032, 0.032, 0.032, 0.046, 0.046 \n & , 0.235, 0.096, 0.038, 0.038, 0.038 \n & , 0.044, 0.044, 0.044, 0.044, 0.044 ! ( 2) EVERGREEN BROADLEAF FOR\n & , 0.044, 0.044, 0.044, 0.044, 0.044 ! (Tropical Forest)\n & , 0.234, 0.193, 0.112, 0.112, 0.112 \n & , 0.032, 0.032, 0.032, 0.032, 0.032 ! ( 3) DECIDUOUS NEEDLE FOREST\n & , 0.032, 0.032, 0.032, 0.046, 0.046 \n & , 0.235, 0.096, 0.038, 0.038, 0.038\n & , 0.034, 0.034, 0.034, 0.034, 0.034 ! ( 4) DECIDUOUS BROADLEAF FOR\n & , 0.034, 0.034, 0.034, 0.066, 0.067 \n & , 0.312, 0.276, 0.160, 0.160, 0.160 \n & , 0.033, 0.033, 0.033, 0.033, 0.033 ! ( 5) MIXED FOREST\n & , 0.033, 0.033, 0.033, 0.056, 0.057 \n & , 0.274, 0.186, 0.099, 0.099, 0.099\n & , 0.010, 0.010, 0.010, 0.015, 0.017 ! ( 6) CLOSED SHRUBS\n & , 0.020, 0.036, 0.045, 0.055, 0.156 \n & , 0.350, 0.239, 0.101, 0.101, 0.101\n & , 0.095, 0.095, 0.095, 0.095, 0.095 ! ( 7) OPEN/SHRUBS\n & , 0.095, 0.098, 0.104, 0.122, 0.157 \n & , 0.231, 0.330, 0.311, 0.150, 0.150\n & , 0.020, 0.020, 0.020, 0.023, 0.024 ! ( 8) WOODY SAVANNA (Decid Broadleaf*0.4 + Grass*0.6)\n & , 0.026, 0.035, 0.041, 0.102, 0.104 \n & , 0.366, 0.291, 0.151, 0.107, 0.107\n & , 0.010, 0.010, 0.010, 0.015, 0.017 ! ( 9) SAVANNA \n & , 0.020, 0.036, 0.045, 0.126, 0.129 \n & , 0.402, 0.301, 0.145, 0.071, 0.071\n & , 0.010, 0.010, 0.010, 0.015, 0.017 ! (10) GRASSLAND \n & , 0.020, 0.036, 0.045, 0.126, 0.129 \n & , 0.402, 0.301, 0.145, 0.071, 0.071\n & , 0.039, 0.039, 0.039, 0.039, 0.039 ! (11) PERMANENT WETLANDS\n & , 0.039, 0.039, 0.039, 0.051, 0.071 \n & , 0.164, 0.100, 0.056, 0.056, 0.056\n & , 0.010, 0.010, 0.010, 0.015, 0.017 ! (12) CROPLAND \n & , 0.020, 0.036, 0.045, 0.115, 0.099 \n & , 0.442, 0.271, 0.122, 0.059, 0.059 \n & , 0.052, 0.052, 0.052, 0.052, 0.052 ! (13) URBAN\n & , 0.052, 0.052, 0.066, 0.104, 0.114 \n & , 0.304, 0.258, 0.258, 0.258, 0.258\n & , 0.010, 0.010, 0.010, 0.015, 0.017 ! (14) CROP MOSAIC\n & , 0.020, 0.036, 0.045, 0.090, 0.083 \n & , 0.377, 0.273, 0.141, 0.110, 0.110\n & , 0.910, 0.910, 0.910, 0.916, 0.921 ! (15) PERMANENT SNOW \n & , 0.931, 0.947, 0.964, 0.953, 0.920 \n & , 0.635, 0.013, 0.006, 0.009, 0.014 \n & , 0.144, 0.144, 0.144, 0.144, 0.144 ! (16) BARREN/DESERT\n & , 0.144, 0.144, 0.179, 0.263, 0.331 \n & , 0.405, 0.390, 0.390, 0.390, 0.390\n & , 0.066, 0.066, 0.066, 0.070, 0.073 ! (17) OCEAN WATER\n & , 0.082, 0.094, 0.091, 0.078, 0.072 \n & , 0.066, 0.062, 0.055, 0.044, 0.069\n & , 0.180, 0.180, 0.180, 0.180, 0.180 ! (18) TUNDRA (modified with Lundberg et al)\n & , 0.180, 0.180, 0.180, 0.180, 0.180 \n & , 0.247, 0.265, 0.265, 0.265, 0.265\n & , 0.979, 0.979, 0.979, 0.980, 0.982 ! (19) FRESH SNOW \n & , 0.984, 0.988, 0.992, 0.989, 0.982 \n & , 0.902, 0.143, 0.168, 0.019, 0.015 \n & , 0.778, 0.778, 0.778, 0.778, 0.778 ! (20) SEA ICE\n & , 0.778, 0.778, 0.778, 0.778, 0.752 \n & , 0.393, 0.055, 0.054, 0.036, 0.036 /\n\n data landuse /\n & 'EVERGREEN NEEDLE FOREST'\n &,'EVERGREEN BROADLEAF FOREST'\n &,'DECIDUOUS NEEDLE FOREST'\n &,'DECIDUOUS BROADLEAF FOREST'\n &,'MIXED FOREST'\n &,'CLOSED SHRUBS'\n &,'OPEN / SHRUBS'\n &,'WOODY SAVANNA'\n &,'SAVANNA'\n &,'GRASSLAND'\n &,'PERMANENT WETLANDS'\n &,'CROPLAND'\n &,'URBAN'\n &,'CROP MOSAIC'\n &,'PERMANENT SNOW'\n &,'BARREN / DESSERT'\n &,'OCEAN WATER'\n &,'TUNDRA'\n &,'FRESH SNOW'\n &,'SEA ICE' /\n\n\n! *** Land-use type-dependent solar zenith adjustment factor \n\n\n data dterm /\n & 0.40 ! ( 1) EVERGREEN NEEDLE FOR \n &, 0.44 ! ( 2) EVERGREEN BROAD FOR \n &, 0.32 ! ( 3) DECIDUOUS NEEDLE FOR\n &, 0.39 ! ( 4) DECIDUOUS BROAD FOR\n &, 0.22 ! ( 5) MIXED FOREST\n &, 0.28 ! ( 6) CLOSED SHRUBS\n &, 0.40 ! ( 7) OPEN/SHRUBS\n &, 0.47 ! ( 8) WOODY SAVANNA\n &, 0.53 ! ( 9) SAVANNA\n &, 0.53 ! (10) GRASSLAND\n &, 0.35 ! (11) WETLAND\n &, 0.41 ! (12) CROPLAND (CAGEX-APR)\n &, 0.10 ! (13) URBAN\n &, 0.40 ! (14) CROP MOSAIC\n &, 0.10 ! (15) ANTARCTIC SNOW\n &, 0.40 ! (16) BARREN/DESERT\n &, 0.41 ! (17) OCEAN WATER\n &, 0.58 ! (18) TUNDRA\n &, 0.10 ! (19) FRESH SNOW\n &, 0.10 / ! (20) SEA ICE\n \n! The following scale factors are applied to the spectral albedos to bring\n! them into closer agreement (in the visible spectrum) with the MODIS fixed albedos \n \n data modis2spectral /\n & 3.5 ! (1)\n &, 2.5 ! (2)\n &, 4.0 ! (3)\n &, 2.5 ! (4)\n &, 3.0 ! (5)\n &, 3.0 ! (6)\n &, 2.0 ! (7)\n &, 2.5 ! (8)\n &, 1.5 ! (9)\n &, 2.0 ! (10)\n &, 2.0 ! (11)\n &, 1.5 ! (12)\n &, 1.5 ! (13)\n &, 2.5 ! (14)\n &, 1.0 ! (15)\n &, 1.0 ! (16)\n &, 1.0 ! (17)\n &, 1.0 ! (18)\n &, 1.0 ! (19)\n &, 1.0 / ! (20)\n \n!The folowing loops indicate use LUC (as \"j), and band (as \"i\")\n\n u0 = dcos((pi/180.d0)*sza)\n\n do 270 j = 1,20\n \n do 250 i = 1,15\n\n specenhancement = (1.0 + dterm(j))/(1.0 + 2.0*u0*dterm(j))\n specenhancement = max(0.8,specenhancement)\n\n specalbsza(j,i,1) = bands(i)\n\t specalbsza(j,i,2) = min(1.0,(specenhancement*specalb(i,j)))\n if((modis2spectral(j)*specalbsza(j,i,2)).le.1.0)then\n specalbsza(j,i,2) = modis2spectral(j)*specalbsza(j,i,2)\n else\n\t specalbsza(j,i,2) = 1.0\n\t endif\n\t \n250 continue\n270 continue\n\n!Output is specalbsza(j,i,2): 20 spectral albedos x 15 bands\n\n return\n end\n!***********************************************************************\n subroutine season_correction(specalbsza,jd,snowflag\n & ,specalbszassn)\n\n! PURPOSE: Modify the sza-specific spectral albedos to be further\n! specific to Julian day\n\n! REFERENCE: Moody et al (2005); Moody et al (2007); Jin et al (2002)\n\n! INPUT: specalbsza,jd,snowflag\n! OUTPUT: specalbszassn\n! CALLS: none\n! CALLED BY: veg\n\n implicit none\n integer jd,i,j,snowflag\n real*4 specalbsza(20,15,2),specalbszassn(20,15,2)\n & ,ssn_correction(20),jd_correction(20),pi,scale,temp\n & ,snow_correction(20)\n\n specalbszassn(1:20,1:15,1:2) = 0.0\n jd_correction(1:20) = 0.0\n\n pi = dacos(-1.d0)\n\n data ssn_correction /\n & 0.73 ! EVERGREEN NEEDLE FOR\n &, 0.84 ! EVERGREEN BROADLEAF FOR\n &, 0.77 ! DECIDUOUS NEEDLE FOR\n &, 0.73 ! DECIDOUS BROAD FOR\n &, 0.78 ! MIXED FOREST\n &, 0.73 ! CLOSED SHRUBS\n &, 0.77 ! OPEN/SHRUBS\n &, 0.78 ! WOODY SAVANNA\n &, 0.78 ! SAVANNA\n &, 0.79 ! GRASSLAND\n &, 0.78 ! WETLAND\n &, 0.80 ! CROPLAND\n &, 0.67 ! URBAN\n &, 0.80 ! CROP MOSAIC\n &, 1.00 ! PERMANENT SNOW\n &, 0.96 ! BARREN/DESERT\n &, 1.00 ! OCEAN WATER\n &, 0.25 ! TUNDRA\t\t(modified with Lundberg et al (2005))\n &, 1.00 ! FRESH SNOW\n &, 1.00 /! SEA ICE\n\n! scale ranges from [0,1]; scale = 0 on ~Jun21; = 1 on Dec21\n temp = cos(2.0*pi*((real(jd)+11.0)/365.))\n if(temp.ge.0.d0)then\n scale = 0.5*(1.+ sqrt(temp))\n else\n scale = 0.5*(1.- sqrt(abs(temp)))\n endif\n\n do 90 i = 1,20\n jd_correction(i) = scale*ssn_correction(i) - (scale-1.0)*1.0\n90 continue\n \n do 190 i = 1,20\n do 170 j = 1,15\n specalbszassn(i,j,1) = specalbsza(i,j,1)\n \n specalbszassn(i,j,2) = specalbsza(i,j,2)/jd_correction(i)\n \n170 continue\n190 continue\n\n if(snowflag.eq.0)goto 999\n\n data snow_correction /\n & 3.0 ! EVERGREEN NEEDLE FOR\n &, 4.1 ! EVERGREEN BROADLEAF FOR\n &, 3.1 ! DECIDUOUS NEEDLE FOR\n &, 2.7 ! DECIDUOUS BROADLEAF FOR\n &, 3.0 ! MIXED FOREST\n &, 2.2 ! CLOSED SHRUBS\n &, 3.6 ! OPEN/SHRUBS\n &, 2.1 ! WOODY SAVANNA\n &, 3.0 ! SAVANNA\n &, 3.8 ! GRASSLAND\n &, 4.9 ! WETLAND\n &, 4.5 ! CROPLAND\n &, 3.6 ! URBAN\n &, 3.6 ! CROP MOSAIC\n &, 1.7 ! PERMANENT SNOW\n &, 3.5 ! BARREN/DESERT\n &, 1.0 ! OCEAN WATER\n &, 4.0 ! TUNDRA\t\t(modified with Lundberg et al (2005))\n &, 1.0 ! FRESH SNOW\n &, 1.3 /! SEA ICE\n\n do 290 i = 1,20\n do 270 j = 1,15\n specalbszassn(i,j,2) = snow_correction(i)*specalbszassn(i,j,2)\n if(specalbszassn(i,j,2).gt.1.)then\n specalbszassn(i,j,2) = 1.0\n endif\n\n270 continue\n290 continue\n\n999 return\n end \n!*********************************************************************** \n subroutine spectralalbedo(specalbszassn,rtmodule\n & ,n,bin_spectra )\n! PURPOSE: Bin the sza-,season-specific spectral albedo data into the wavelength\n! bins of the selected photolysis module\n\n! INPUT: specalbszassn,rtmodule\n! OUTPUT: bin_spectra\n! CALLS: get_bin_data,cutpoints,assign\n! CALLED BY: veg\n\n implicit none\n character rtmodule*7\n \n\n integer choice,n,ncat,countforlabel(50)\n\n real*4 wavebin(50),cutpoint(50),specalbszassn(20,15,2)\n & ,nlcd_spectra(50,200,2)\n & ,bin_spectra(50,50,2),n2,sza\n\n bin_spectra(1:50,1:50,1:2) = 0.0\n\n\n call get_bin_data(rtmodule\n & ,wavebin,n)\n\n call cutpoints(wavebin,n,rtmodule\n & ,cutpoint)\n\n call assign(cutpoint,n,specalbszassn,ncat,countforlabel,wavebin\n & ,bin_spectra)\n\n return\n end\n!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!\n subroutine assign(cutpoint,n,specalbszassn,ncat,countforlabel\n & ,wavebin\n & ,bin_spectra)\n implicit none\n integer n,ncat,countforlabel(50),i,j,k,kcount,jj,zeroflag\n real*4 cutpoint(50),specalbszassn(20,15,2),wavebin(50)\n & ,bin_spectra(50,50,2)\n & ,accumulate1,accumulate2\n do 190 i = 1,20\n do 170 j = 2,n+1\n kcount = 0\n accumulate1 = 0.d0\n accumulate2 = 0.d0\n do 150 k = 1,15\n if((specalbszassn(i,k,1).le.cutpoint(j)).and.\n & (specalbszassn(i,k,1).gt.cutpoint(j-1)))then\n kcount = kcount + 1\n accumulate2 = accumulate2 + specalbszassn(i,k,2)\n endif\n150 continue\n if(kcount.ne.0)then\n accumulate2 = accumulate2/real(kcount)\n bin_spectra(i,j,1) = wavebin(j-1)\n bin_spectra(i,j,2) = accumulate2 \n elseif(kcount.eq.0)then\n bin_spectra(i,j,1) = wavebin(j-1)\n bin_spectra(i,j,2) = 0.d0\n endif\n\n160 format(2f12.3,i6,f12.3)\n170 continue\n190 continue\n\n! First bin\n do 230 i = 1,20\n if(bin_spectra(i,2,2).le.1.d-5)then\n do 220 k = 1,15\n if(specalbszassn(i,k,1).gt.cutpoint(1))then\n bin_spectra(i,2,2) = specalbszassn(i,k-1,2)\n goto 225\n endif\n220 continue\n225 if(bin_spectra(i,3,2).ne.0.d0)then\n bin_spectra(i,2,2) = (bin_spectra(i,2,2)\n & +bin_spectra(i,3,2))/2.d0\n endif\n endif\n230 continue\n\n! Last bin\n do 250 i = 1,20\n if(bin_spectra(i,n+1,2).le.1.d-5)then\n do 240 k = 15,1,-1\n if(specalbszassn(i,k,1).lt.cutpoint(n))then\n bin_spectra(i,n+1,2) = specalbszassn(i,k+1,2)\n goto 245\n endif\n240 continue\n245 if(bin_spectra(i,n,2).ne.0.d0)then\n bin_spectra(i,n+1,2) = (bin_spectra(i,n+1,2)\n & +bin_spectra(i,n,2))/2.d0\n endif\n endif \n250 continue\n\n do 290 i = 1,20\n255 zeroflag = 0\n do 270 j = 2,n-1 \n if(bin_spectra(i,j,2).eq.0.d0)then\n zeroflag = 1\n if((bin_spectra(i,j-1,2).ne.0.d0).and.\n & (bin_spectra(i,j+1,2).ne.0.d0))then\n bin_spectra(i,j,2)=(bin_spectra(i,j-1,2)\n & +bin_spectra(i,j+1,2))/2.d0\n goto 270\n elseif(bin_spectra(i,j-1,2).ne.0.d0)then\n bin_spectra(i,j,2) = bin_spectra(i,j-1,2)\n goto 270\n elseif(bin_spectra(i,j+1,2).ne.0.d0)then\n bin_spectra(i,j,2) = bin_spectra(i,j+1,2)\n goto 270\n endif\n \n endif\n270 continue\n if(zeroflag.eq.1)goto 255\n290 continue\n\n do 390 i = 1,20\n do 370 j = 2,n+1\n bin_spectra(i,j-1,1) = bin_spectra(i,j,1)\n bin_spectra(i,j-1,2) = bin_spectra(i,j,2)\n\n360 format(2i6,2f12.3)\n370 continue\n390 continue\n\n return\n end\n\n!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!\n subroutine cutpoints(wavebin,n,rtmodule\n & ,cutpoint)\n implicit none\n character rtmodule*7\n integer n,i\n real*4 wavebin(50),cutpoint(50)\n cutpoint(1) = wavebin(1) - (wavebin(2) - wavebin(1))/2.d0\n \n do 190 i = 2,n\n cutpoint(i) = (wavebin(i-1) + wavebin(i))/2.d0\n! Exception:\n if((rtmodule.eq.'SPHERAD').and.(i.eq.24))then\n cutpoint(i) = 402.5\n endif\n \n190 continue\n cutpoint(n+1) = wavebin(n) + (wavebin(n) - wavebin(n-1))/2.d0\n\n return\n end\n!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!\n subroutine get_bin_data(rtmodule\n & ,wavebin,n)\n implicit none\n character rtmodule*7\n \n integer n,i\n real*4 wavebin(50),xwavebin(30),ywavebin(30)\n \n wavebin(1:50) = 0.d0\n \n\n \n data xwavebin / \n & 295.0, 303.0, 310.0, 316.0, 333.0\n & , 380.0, 574.0, 0.0, 0.0, 0.0\n & , 0.0, 0.0, 0.0, 0.0, 0.0\n & , 0.0, 0.0, 0.0, 0.0, 0.0\n & , 0.0, 0.0, 0.0, 0.0, 0.0\n & , 0.0, 0.0, 0.0, 0.0, 0.0 /\n\n\n data ywavebin / \n & 290.0, 295.0, 300.0, 305.0, 310.0\n & , 315.0, 320.0, 325.0, 330.0, 335.0\n & , 340.0, 345.0, 350.0, 355.0, 360.0\n & , 365.0, 370.0, 375.0, 380.0, 385.0\n & , 390.0, 395.0, 400.0, 450.0, 550.0\n & , 650.0, 750.0, 0.0, 0.0, 0.0 /\n\n\n\n if(rtmodule.eq.'INLINE')then\n n = 7\n do 190 i = 1,n\n wavebin(i) = xwavebin(i)\n190 continue\n elseif(rtmodule.eq.'SPHERAD')then\n n = 27 \n do 195 i = 1,n\n wavebin(i) = ywavebin(i)\n195 continue\n endif\n\n return \n end\n!***********************************************************************\n!***********************************************************************\n subroutine mapalbedo(n,bin_spectra\n & ,nlcd_spectra,usgs_spectra,modis_spectra)\n! PURPOSE: Maps the 50 NLCD and 24 USGS landuse categories to the closest\n! 20 MODIS categories - with a weighting factor applied to the mapping\n! for continuity of albedo of NLCD/USGS to MODIS. 17 of the 20 MODIS \n! categories are then mapped to 17 uniquely corresponding spectral albedo \n! categories; 3 MODIS categories (Wooded Tundra, Mixed Tundra, and Barren \n! TUNDRA) are mapped to spectral \"Tundra\". \n\n\n! INPUT: n,bin_spectra\n! OUTPUT: nlcd_spectra,usgs_spectra,modis_spectra\n! CALLS: nlcdusgsmodis\n! CALLED BY: veg\n\n implicit none\n real*4 nlcdmap(65,2),usgsmap(65,2),modismap(65,2)\n & ,a(65),b(65),y,nlcdtype(50,3),usgstype(50,3),modistype(50,3)\n & ,bin_spectra(50,50,2),nlcd_spectra(50,50,2)\n & ,usgs_spectra(50,50,2),modis_spectra(50,50,2)\n & ,albedomap(6,64),temparray(500,3)\n \n integer c(65),d(65),e(65),f(65),icount,jcount,kcount,i,ix,iz\n & ,n,ii,jj,nn\n\n INTEGER, SAVE :: IO_INSPECT\n\n CHARACTER(30) SPECTRAL_LANDUSE(20)\n\n DATA SPECTRAL_LANDUSE /\n & 'EVERGREEN NEEDLE FOREST'\n &,'EVERGREEN BROADLEAF FOREST'\n &,'DECIDUOUS NEEDLE FOREST'\n &,'DECIDUOUS BROADLEAF FOREST'\n &,'MIXED FOREST'\n &,'CLOSED SHRUBS'\n &,'OPEN / SHRUBS'\n &,'WOODY SAVANNA'\n &,'SAVANNA'\n &,'GRASSLAND'\n &,'PERMANENT WETLANDS'\n &,'CROPLAND'\n &,'URBAN'\n &,'CROP MOSAIC'\n &,'PERMANENT SNOW'\n &,'BARREN / DESSERT'\n &,'OCEAN WATER'\n &,'TUNDRA'\n &,'FRESH SNOW'\n &,'SEA ICE' /\n\n\n CHARACTER(40) USGS_LANDUSE(24)\n DATA USGS_LANDUSE /\n & 'Urban or Built-up Land',\n & 'Dryland Cropland and Pasture',\n & 'Irrigated Cropland and Pasture',\n & 'Mixed Dry/Irr Crop and Past',\n & 'Grassland/Cropland Mosaic',\n & 'Woodland/Cropland Mosaic',\n & 'Grassland',\n & 'Shrubland',\n & 'Mixed Shrubland/Grassland',\n & 'Savanna',\n & 'Broadleaf Deciduous Forest',\n & 'Deciduous Coniferous Forest',\n & 'Evergreen Broadleaf Forest (Palm?)',\n & 'Evergreen Coniferous Forest',\n & 'Mixed forest',\n & 'Water',\n & 'Herbaceous Wetland (none in east)',\n & 'Forested Wetlands (e.g. Everglades)',\n & 'Barren or Sparsely Vegetated',\n & 'Herbaceous Tundra',\n & 'Shrub and Brush Tundra',\n & 'Mixed Tundra',\n & 'Bare Ground Tundra',\n & 'Perennial Snowfields or Glaciers' /\n \n CHARACTER(40) MODIS_LANDUSE(20)\n DATA MODIS_LANDUSE /\n & 'Evergreen Needleleaf Forest',\n & 'Evergreen Broadleaf Forest',\n & 'Deciduous Needleleaf Forest',\n & 'Deciduous Broadleaf Forest',\n & 'Mixed Forest',\n & 'Closed Shrublands',\n & 'Open Shrublands',\n & 'Woody Savanna',\n & 'Savanna',\n & 'Grasslands',\n & 'Perminent Wetlands',\n & 'Croplands',\n & 'Urban andBuilt-up',\n & 'Cropland/Natural Vegetation',\n & 'Snow and Ice',\n & 'Barren or Sparsely Vegetated',\n & 'IGBP water',\n & 'Mixed Tundra',\n & 'Wooded Tundra',\n & 'Barren Tundra' /\n\n CHARACTER(40) NLCD_LANDUSE(50)\n DATA NLCD_LANDUSE /\n & 'Open water',\n & 'Perennial Ice/snow ',\n & 'Developed, Open space ',\n & 'Developed, Low Intensity',\n & 'Developed, Medium Intensity',\n & 'Developed, High Intensity',\n & 'Barren land',\n & 'Unconsolidated Shore',\n & 'Deciduous Forest',\n & 'Evergreen Forest',\n & 'Mixed Forest',\n & 'Dwarf Scrub',\n & 'Shrub/Scrub',\n & 'Grassland/Herbaceous',\n & 'Sedge/Herbaceous',\n & 'Lichens',\n & 'Moss',\n & 'Tundra',\n & 'Pasture/Hay',\n & 'Cultivated Crops',\n & 'Woody Wetland',\n & 'Palustrine Forested Wetland',\n & 'Palustrine Scrub/Shrub Wetland',\n & 'Estuarine Forested Wetland',\n & 'Estuarine Scrub/Shrub Wetland',\n & 'Emergent Herbaceous Wetland',\n & 'Palustrine Emergent Wetland',\n & 'Estuarine Emergent Wetland',\n & 'Palustrine Aquatic Bed',\n & 'Estuarine Aquatic Bed',\n & 'Open water (mapped to 1)',\n & 'Evergreen Needleleaf Forest',\n & 'Evergreen Broadleaf Forest',\n & 'Deciduous Needleleaf Forest',\n & 'Deciduous Broadleaf Forest',\n & 'Mixed Forest',\n & 'Closed Shrublands',\n & 'Open Shrublands',\n & 'Woody Savanna',\n & 'Savanna',\n & 'Grasslands',\n & 'Perminent Wetlands',\n & 'Croplands',\n & 'Urban andBuilt-up',\n & 'Cropland/Natural Vegetation Mosaic',\n & 'Snow and Ice',\n & 'Barren or Sparsely Vegetated',\n & 'IGBP water',\n & 'unclassified',\n & 'fill value (normally ocean water)' /\n\n CHARACTER(40) NAMEA, NAMEB\n\n icount = 0\n jcount = 0\n kcount = 0\n nlcdtype(1:50,1:3) = 0.d0\n usgstype(1:50,1:3) = 0.d0\n modistype(1:50,1:3) = 0.d0\n nlcd_spectra(1:50,1:50,1:2) = 0.0\n usgs_spectra(1:50,1:50,1:2) = 0.0\n modis_spectra(1:50,1:50,1:2) = 0.0\n albedomap(1:6,1:64) = 0.0\n temparray(1:500,1:3) = 0.0\n\n \n IO_INSPECT = 13\n IF( IO_INSPECT .NE. 6 )THEN\n OPEN(IO_INSPECT, FILE='ALBEDO_MAPS.dat',STATUS='UNKNOWN')\n ENDIF\n\n call nlcdusgsmodis(albedomap)\n \n do 190 i = 1,64\n a(i) = albedomap(1,i)\n b(i) = albedomap(2,i)\n c(i) = int(albedomap(3,i))\n d(i) = int(albedomap(4,i))\n e(i) = int(albedomap(5,i))\n f(i) = int(albedomap(6,i))\n190 continue\n\n do 290 i = 1,64\n if(a(i).ne.0)then\n icount = icount + 1\n temparray(icount,1) = real(c(i))\n\ttemparray(icount,2) = a(i)\n\ttemparray(icount,3) = real(f(i))\n\n endif\n290 continue\n do 390 i = 1,64\n if(b(i).ne.0)then\n jcount = jcount + 1\n temparray(jcount+icount,1) = real(d(i))\n\ttemparray(jcount+icount,2) = b(i)\n\ttemparray(jcount+icount,3) = real(f(i))\n\n endif\n390 continue\n do 490 i = 1,64\n if(e(i).ne.0)then\n kcount = kcount + 1\n temparray(kcount+icount+jcount,1) = real(e(i))\n\ttemparray(kcount+icount+jcount,2) = 1.\n\ttemparray(kcount+icount+jcount,3) = real(f(i))\n\n endif\n490 continue\n rewind(8)\n do 590 i = 1,icount\n\n ix = int(temparray(i,1))\n y = temparray(i,2)\n iz = int(temparray(i,3))\n\n nlcdmap(ix,1)=iz\n nlcdmap(ix,2)=y\n590 continue\n do 690 i = 1,jcount\n\n ix = int(temparray(i+icount,1))\n y = temparray(i+icount,2)\n iz = int(temparray(i+icount,3))\n\n usgsmap(ix,1)=iz\n usgsmap(ix,2)=y\n690 continue\n do 790 i = 1,kcount\n\n ix = int(temparray(i+icount+jcount,1))\n y = temparray(i+icount+jcount,2)\n iz = int(temparray(i+icount+jcount,3))\n\n modismap(ix,1)=iz\n modismap(ix,2)=y\n790 continue\n do 890 i = 1,icount\n nlcdtype(i,1) = real(i)\n nlcdtype(i,2) = nlcdmap(i,1)\n nlcdtype(i,3) = nlcdmap(i,2)\n\n890 continue \n do 990 i = 1,jcount\n usgstype(i,1) = real(i)\n usgstype(i,2) = usgsmap(i,1)\n usgstype(i,3) = usgsmap(i,2)\n\n990 continue\n do 1090 i = 1,kcount\n modistype(i,1) = real(i)\n modistype(i,2) = modismap(i,1)\n modistype(i,3) = modismap(i,2)\n\n1090 continue\n\n! NLCD Map\n do 2190 i = 1,icount\n do 2170 nn = 1,n\n nlcd_spectra(i,nn,1) = bin_spectra(int(nlcdtype(i,2)),nn,1)\n nlcd_spectra(i,nn,2) = bin_spectra(int(nlcdtype(i,2)),nn,2)\n & *nlcdtype(i,3)\n nlcd_spectra(i,nn,2) = min(nlcd_spectra(i,nn,2),1.00)\n nlcd_spectra(i,nn,2) = max(nlcd_spectra(i,nn,2),0.00)\n!! write(19,2000)i,nn,nlcd_spectra(i,nn,1),nlcd_spectra(i,nn,2) \n!!2000 format(2i6,2f12.4)\n IF(IO_INSPECT .GT. 0)THEN\n NAMEA = NLCD_LANDUSE(I)(1:LEN_TRIM(NLCD_LANDUSE(I)))\n NAMEB = SPECTRAL_LANDUSE(int(nlcdtype(i,2)))(1:LEN_TRIM(SPECTRAL_LANDUSE(int(nlcdtype(i,2)))))\n write(IO_INSPECT,2000)i,NAMEA,nn,nlcdtype(i,2),nlcdtype(i,3),nlcd_spectra(i,nn,1),\n & nlcd_spectra(i,nn,2),bin_spectra(int(nlcdtype(i,2)),nn,2),\n & NAMEB\n ENDIF\n2170 continue\n2190 continue\n\n! USGS MAP\n do 3190 i = 1,jcount\n do 3170 nn = 1,n\n usgs_spectra(i,nn,1) = bin_spectra(int(usgstype(i,2)),nn,1)\n usgs_spectra(i,nn,2) = bin_spectra(int(usgstype(i,2)),nn,2)\n & *usgstype(i,3)\n usgs_spectra(i,nn,2) = min(usgs_spectra(i,nn,2),1.00)\n usgs_spectra(i,nn,2) = max(usgs_spectra(i,nn,2),0.00)\n!! write(19,2000)i,nn,usgs_spectra(i,nn,1),usgs_spectra(i,nn,2)\n IF(IO_INSPECT .GT. 0)THEN\n NAMEA = USGS_LANDUSE(I)(1:LEN_TRIM(USGS_LANDUSE(I)))\n NAMEB = SPECTRAL_LANDUSE(int(usgstype(i,2)))(1:LEN_TRIM(SPECTRAL_LANDUSE(int(usgstype(i,2)))))\n write(IO_INSPECT,2000)i,NAMEA,nn,usgstype(i,2),usgstype(i,3),usgs_spectra(i,nn,1),\n & usgs_spectra(i,nn,2),bin_spectra(int(usgstype(i,2)),nn,2),\n & NAMEB\n ENDIF\n3170 continue\n3190 continue\n\n! MODIS Map \n do 4190 i = 1,kcount\n do 4170 nn = 1,n\n modis_spectra(i,nn,1) = bin_spectra(int(modistype(i,2)),nn,1)\n modis_spectra(i,nn,2) = bin_spectra(int(modistype(i,2)),nn,2)\n & *modistype(i,3)\n modis_spectra(i,nn,2) = min(modis_spectra(i,nn,2),1.00)\n modis_spectra(i,nn,2) = max(modis_spectra(i,nn,2),0.00)\n!! write(19,2000)i,nn,modis_spectra(i,nn,1),modis_spectra(i,nn,2)\n IF(IO_INSPECT .GT. 0)THEN\n NAMEA = MODIS_LANDUSE(I)(1:LEN_TRIM(MODIS_LANDUSE(I)))\n NAMEB = SPECTRAL_LANDUSE(int(modistype(i,2)))(1:LEN_TRIM(SPECTRAL_LANDUSE(int(modistype(i,2)))))\n write(IO_INSPECT,2000)i,NAMEA,nn,modistype(i,2),modistype(i,3),modis_spectra(i,nn,1),\n & modis_spectra(i,nn,2),bin_spectra(int(modistype(i,2)),nn,2),\n & NAMEB\n ENDIF\n4170 continue\n4190 continue\n\n2000 format(i2,1X,a30,1X,i2,3(f7.3,1X),2(f8.4,1X),a30)\n CLOSE(IO_INSPECT)\n return\n end \n!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!\n subroutine nlcdusgsmodis(\n & albedomap)\n\n implicit none\n integer i,j\n real*4 categorymap(6,64),albedomap(6,64)\n \n! NLCD2MODIS,USGS2MODIS,NLCD2SPEC,USGS2SPEC,MODIS2SPEC,SPEC\n\n data categorymap /\n & 0,\t0,\t0,\t0,\t0,\t0\n &, 0,\t0,\t0,\t0,\t0,\t0\n &, 1,\t0,\t1,\t0,\t0,\t17\n &, 1.0,\t0,\t2,\t0,\t0,\t15\n &, 1.0667,\t0,\t3,\t0,\t0,\t13\n &, 1.1333,\t0,\t4,\t0,\t0,\t13\n &, 1.0667,\t0,\t5,\t0,\t0,\t13\n &, 1.1333,\t0,\t6,\t0,\t0,\t13\n &, 0.8,\t0,\t7,\t0,\t0,\t16\n &, 1.4,\t0,\t8,\t0,\t0,\t16\n &, 0.9375,\t0,\t9,\t0,\t0,\t4\n &, 0.8333,\t0,\t10,\t0,\t0,\t1\n &, 1,\t0,\t11,\t0,\t0,\t5\n &, 1,\t0,\t12,\t0,\t0,\t7\n &, 1,\t0,\t13,\t0,\t0,\t7\n &, 1.1364,\t0,\t14,\t0,\t0,\t8\n &, 1.0455,\t0,\t15,\t0,\t0,\t8\n &, 1.0526,\t0,\t16,\t0,\t0,\t10\n &, 1.0526,\t0,\t17,\t0,\t0,\t10\n &, 1,\t1,\t18,\t22,\t0,\t18\n &, 1.2778,\t0,\t19,\t0,\t0,\t14\n &, 1.1765,\t1.0588,\t20,\t4,\t0,\t12\n &, 1.0714,\t1,\t21,\t17,\t0,\t11\n &, 1.0714,\t0,\t22,\t0,\t0,\t11\n &, 1.0714,\t0,\t23,\t0,\t0,\t11\n &, 1.0714,\t0,\t24,\t0,\t0,\t11\n &, 1.0714,\t0,\t25,\t0,\t0,\t11\n &, 1.2857,\t0,\t26,\t0,\t0,\t11\n &, 1.2857,\t0,\t27,\t0,\t0,\t11\n &, 1.2857,\t0,\t28,\t0,\t0,\t11\n &, 1.25,\t0,\t29,\t0,\t0,\t17\n &, 1.25,\t0,\t30,\t0,\t0,\t17\n &, 1,\t0,\t31,\t0,\t0,\t17\n &, 1,\t1,\t32,\t14,\t1,\t1\n &, 1,\t1,\t33,\t13,\t2,\t2\n &, 1,\t1,\t34,\t12,\t3,\t3\n &, 1,\t1,\t35,\t11,\t4,\t4\n &, 1,\t1,\t36,\t15,\t5,\t5\n &, 1,\t1,\t37,\t8,\t6,\t6\n &, 1,\t1,\t38,\t9,\t7,\t7\n &, 1,\t0,\t39,\t0,\t8,\t8\n &, 1,\t1,\t40,\t10,\t9,\t9\n &, 1,\t1,\t41,\t7,\t10,\t10\n &, 1,\t1,\t42,\t18,\t11,\t11\n &, 1,\t1,\t43,\t2,\t12,\t12\n &, 1,\t1,\t44,\t1,\t13,\t13\n &, 1,\t0,\t45,\t0,\t14,\t14\n &, 1,\t1,\t46,\t24,\t15,\t15\n &, 1,\t1,\t47,\t19,\t16,\t16\n &, 1,\t1,\t48,\t16,\t17,\t17\n &, 1,\t0,\t49,\t0,\t0,\t17\n &, 1,\t0,\t50,\t0,\t0,\t17\n &, 0,\t0,\t0,\t0,\t0,\t0\n &, 0,\t1,\t0,\t20,\t19,\t18\n &, 0,\t1,\t0,\t21,\t18,\t18\n &, 0,\t0,\t0,\t0,\t0,\t0\n &, 0,\t1,\t0,\t23,\t20,\t18\n &, 0,\t0,\t0,\t0,\t0,\t0\n &, 0,\t1.0588,\t0,\t3,\t0,\t12\n &, 0,\t0,\t0,\t0,\t0,\t0\n &, 0,\t1,\t0,\t5,\t0,\t14\n &, 0,\t0.8889,\t0,\t6,\t0,\t14\n &, 0,\t0,\t0,\t0,\t0,\t19\n &, 0,\t0,\t0,\t0,\t0,\t20 /\n\n do 190 i = 1,64\n do 170 j = 1,6\n\t albedomap(j,i) = categorymap(j,i)\n170 continue\n190 continue \n return\n end\n!***********************************************************************\n SUBROUTINE ALBEDO_MAP(LAND_SCHEME, NUMB_REF, NUMB_SCHEME, ALBEDO_REF_TO_SCHEME)\n! PURPOSE: returns a map between the surface albedo of the refererence and\n! input land characterization scheme donated by variable LAND_SCHEME\n! Algorithm only accepts three values for LAND_SCHEME: USGS24, MODIS\n! and NLCD-MODIS. \n! MODIS exactly matches the reference. NLCD-MOSIS and USGS map to closest\n! 20 MODIS categories - with a weighting factor applied to the mapping\n! for continuity of albedo of NLCD/USGS to MODIS. 17 of the 20 MODIS \n! categories are then mapped to 17 uniquely corresponding spectral albedo \n! categories; 3 MODIS categories (Wooded Tundra, Mixed Tundra, and Barren \n! TUNDRA) are mapped to spectral \"Tundra\". \n\n IMPLICIT NONE\n\n! INPUT: LAND_SCHEME\n! OUTPUT: ALBEDO_REF_TO_SCHEME\n\n CHARACTER(80) :: LAND_SCHEME ! land use scheme used \n INTEGER :: NUMB_REF ! # of land categories in reference\n INTEGER :: NUMB_SCHEME ! # of land categories in LAND_SCHEME\n REAL :: ALBEDO_REF_TO_SCHEME( :, :)\n\n! CALLS: subroutine nlcdusgsmodis\n! LOCAL:\n\n REAL nlcdmap(65,2)\n REAL usgsmap(65,2)\n REAL modismap(65,2)\n REAL a(65)\n REAL b(65)\n REAL y\n REAL nlcdtype(50,3)\n REAL usgstype(50,3)\n REAL modistype(50,3)\n REAL, ALLOCATABLE :: BUFFER( : )\n REAL bin_spectra(50,50,2),nlcd_spectra(50,50,2)\n REAL usgs_spectra(50,50,2)\n REAL modis_spectra(50,50,2)\n REAL albedomap(6,64)\n REAL temparray(500,3)\n\n INTEGER, PARAMETER :: N_ALBEDO_REF = 20\n \n INTEGER N\n\n INTEGER c(65)\n INTEGER d(65)\n INTEGER e(65)\n INTEGER f(65)\n\n INTEGER icount\n INTEGER jcount\n INTEGER kcount\n\n INTEGER i,ix,iz\n INTEGER ii,jj,nn\n\n INTEGER, SAVE :: IO_INSPECT\n LOGICAL, SAVE :: FIRSTCALL = .TRUE.\n\n CHARACTER(30) SPECTRAL_LANDUSE(20)\n\n DATA SPECTRAL_LANDUSE /\n & 'EVERGREEN NEEDLE FOREST'\n &,'EVERGREEN BROADLEAF FOREST'\n &,'DECIDUOUS NEEDLE FOREST'\n &,'DECIDUOUS BROADLEAF FOREST'\n &,'MIXED FOREST'\n &,'CLOSED SHRUBS'\n &,'OPEN / SHRUBS'\n &,'WOODY SAVANNA'\n &,'SAVANNA'\n &,'GRASSLAND'\n &,'PERMANENT WETLANDS'\n &,'CROPLAND'\n &,'URBAN'\n &,'CROP MOSAIC'\n &,'PERMANENT SNOW'\n &,'BARREN / DESSERT'\n &,'OCEAN WATER'\n &,'TUNDRA'\n &,'FRESH SNOW'\n &,'SEA ICE' /\n\n\n CHARACTER(40) USGS_LANDUSE(24)\n DATA USGS_LANDUSE /\n & 'Urban or Built-up Land',\n & 'Dryland Cropland and Pasture',\n & 'Irrigated Cropland and Pasture',\n & 'Mixed Dry/Irr Crop and Past',\n & 'Grassland/Cropland Mosaic',\n & 'Woodland/Cropland Mosaic',\n & 'Grassland',\n & 'Shrubland',\n & 'Mixed Shrubland/Grassland',\n & 'Savanna',\n & 'Broadleaf Deciduous Forest',\n & 'Deciduous Coniferous Forest',\n & 'Evergreen Broadleaf Forest (Palm?)',\n & 'Evergreen Coniferous Forest',\n & 'Mixed forest',\n & 'Water',\n & 'Herbaceous Wetland (none in east)',\n & 'Forested Wetlands (e.g. Everglades)',\n & 'Barren or Sparsely Vegetated',\n & 'Herbaceous Tundra',\n & 'Shrub and Brush Tundra',\n & 'Mixed Tundra',\n & 'Bare Ground Tundra',\n & 'Perennial Snowfields or Glaciers' /\n \n CHARACTER(40) MODIS_LANDUSE(20)\n DATA MODIS_LANDUSE /\n & 'Evergreen Needleleaf Forest',\n & 'Evergreen Broadleaf Forest',\n & 'Deciduous Needleleaf Forest',\n & 'Deciduous Broadleaf Forest',\n & 'Mixed Forest',\n & 'Closed Shrublands',\n & 'Open Shrublands',\n & 'Woody Savanna',\n & 'Savanna',\n & 'Grasslands',\n & 'Perminent Wetlands',\n & 'Croplands',\n & 'Urban andBuilt-up',\n & 'Cropland/Natural Vegetation',\n & 'Snow and Ice',\n & 'Barren or Sparsely Vegetated',\n & 'IGBP water',\n & 'Mixed Tundra',\n & 'Wooded Tundra',\n & 'Barren Tundra' /\n\n CHARACTER(40) NLCD_LANDUSE(50)\n DATA NLCD_LANDUSE /\n & 'Open water',\n & 'Perennial Ice/snow ',\n & 'Developed, Open space ',\n & 'Developed, Low Intensity',\n & 'Developed, Medium Intensity',\n & 'Developed, High Intensity',\n & 'Barren land',\n & 'Unconsolidated Shore',\n & 'Deciduous Forest',\n & 'Evergreen Forest',\n & 'Mixed Forest',\n & 'Dwarf Scrub',\n & 'Shrub/Scrub',\n & 'Grassland/Herbaceous',\n & 'Sedge/Herbaceous',\n & 'Lichens',\n & 'Moss',\n & 'Tundra',\n & 'Pasture/Hay',\n & 'Cultivated Crops',\n & 'Woody Wetland',\n & 'Palustrine Forested Wetland',\n & 'Palustrine Scrub/Shrub Wetland',\n & 'Estuarine Forested Wetland',\n & 'Estuarine Scrub/Shrub Wetland',\n & 'Emergent Herbaceous Wetland',\n & 'Palustrine Emergent Wetland',\n & 'Estuarine Emergent Wetland',\n & 'Palustrine Aquatic Bed',\n & 'Estuarine Aquatic Bed',\n & 'Open water (mapped to 1)',\n & 'Evergreen Needleleaf Forest',\n & 'Evergreen Broadleaf Forest',\n & 'Deciduous Needleleaf Forest',\n & 'Deciduous Broadleaf Forest',\n & 'Mixed Forest',\n & 'Closed Shrublands',\n & 'Open Shrublands',\n & 'Woody Savanna',\n & 'Savanna',\n & 'Grasslands',\n & 'Perminent Wetlands',\n & 'Croplands',\n & 'Urban andBuilt-up',\n & 'Cropland/Natural Vegetation Mosaic',\n & 'Snow and Ice',\n & 'Barren or Sparsely Vegetated',\n & 'IGBP water',\n & 'unclassified',\n & 'fill value (normally ocean water)' /\n\n CHARACTER(40) NAMEA, NAMEB\n INTEGER, PARAMETER :: NUMB_USGS = 24\n\n REAL :: ALBMAP_REF2USGS( NUMB_USGS )\n DATA ALBMAP_REF2USGS /\n & 13.0000, 12.0000, 12.0000, 12.0000, 14.0000,\n & 14.0000, 10.0000, 6.0000, 7.0000, 9.0000,\n & 4.0000, 3.0000, 2.0000, 1.0000, 5.0000,\n & 17.0000, 11.0000, 11.0000, 16.0000, 18.0000,\n & 18.0000, 18.0000, 18.0000, 15.0000/\n\n REAL :: ALBFAC_REF2USGS( NUMB_USGS )\n DATA ALBFAC_REF2USGS /\n & 1.0000, 1.0000, 1.0588, 1.0588, 1.0000,\n & 0.8889, 1.0000, 1.0000, 1.0000, 1.0000,\n & 1.0000, 1.0000, 1.0000, 1.0000, 1.0000,\n & 1.0000, 1.0000, 1.0000, 1.0000, 1.0000,\n & 1.0000, 1.0000, 1.0000, 1.0000/\n\n INTEGER, PARAMETER :: NUMB_MODIS = 20\n\n REAL :: ALBMAP_REF2MODIS( NUMB_MODIS )\n DATA ALBMAP_REF2MODIS /\n & 1.0000, 2.0000, 3.0000, 4.0000, 5.0000,\n & 6.0000, 7.0000, 8.0000, 9.0000, 10.0000,\n & 11.0000, 12.0000, 13.0000, 14.0000, 15.0000,\n & 16.0000, 17.0000, 18.0000, 18.0000, 18.0000/\n\n REAL :: ALBFAC_REF2MODIS( NUMB_MODIS )\n DATA ALBFAC_REF2MODIS /\n & 1.0000, 1.0000, 1.0000, 1.0000, 1.0000,\n & 1.0000, 1.0000, 1.0000, 1.0000, 1.0000,\n & 1.0000, 1.0000, 1.0000, 1.0000, 1.0000,\n & 1.0000, 1.0000, 1.0000, 1.0000, 1.0000/\n\n INTEGER, PARAMETER :: NUMB_NLCD_MODIS = 50\n\n REAL :: ALBMAP_REF2NLCD( NUMB_NLCD_MODIS )\n DATA ALBMAP_REF2NLCD /\n O 17.0000, 15.0000, 13.0000, 13.0000, 13.0000,\n + 13.0000, 16.0000, 16.0000, 4.0000, 1.0000,\n 1 5.0000, 7.0000, 7.0000, 8.0000, 8.0000,\n + 10.0000, 10.0000, 18.0000, 14.0000, 12.0000,\n 2 11.0000, 11.0000, 11.0000, 11.0000, 11.0000,\n + 11.0000, 11.0000, 11.0000, 17.0000, 17.0000,\n 3 17.0000, 1.0000, 2.0000, 3.0000, 4.0000,\n + 5.0000, 6.0000, 7.0000, 8.0000, 9.0000,\n 4 10.0000, 11.0000, 12.0000, 13.0000, 14.0000,\n + 15.0000, 16.0000, 17.0000, 17.0000, 17.0000/\n\n REAL :: ALBFAC_REF2NLCD( NUMB_NLCD_MODIS )\n DATA ALBFAC_REF2NLCD /\n O 1.0000, 1.0000, 1.0667, 1.1333, 1.0667,\n + 1.1333, 0.8000, 1.4000, 0.9375, 0.8333,\n 1 1.0000, 1.0000, 1.0000, 1.1364, 1.0455,\n + 1.0526, 1.0526, 1.0000, 1.2778, 1.1765,\n 2 1.0714, 1.0714, 1.0714, 1.0714, 1.0714,\n + 1.2857, 1.2857, 1.2857, 1.2500, 1.2500,\n 3 1.0000, 1.0000, 1.0000, 1.0000, 1.0000,\n + 1.0000, 1.0000, 1.0000, 1.0000, 1.0000,\n 4 1.0000, 1.0000, 1.0000, 1.0000, 1.0000,\n + 1.0000, 1.0000, 1.0000, 1.0000, 1.0000/\n\n INTEGER INDEX_REF\n REAL FACTOR\n\n icount = 0\n jcount = 0\n kcount = 0\n nlcdtype(1:50,1:3) = 0.d0\n usgstype(1:50,1:3) = 0.d0\n modistype(1:50,1:3) = 0.d0\n nlcd_spectra(1:50,1:50,1:2) = 0.0\n usgs_spectra(1:50,1:50,1:2) = 0.0\n modis_spectra(1:50,1:50,1:2) = 0.0\n albedomap(1:6,1:64) = 0.0\n temparray(1:500,1:3) = 0.0\n\n \n \n\n IF( FIRSTCALL )THEN\n IO_INSPECT = 13\n IF(IO_INSPECT .NE. 6)OPEN(IO_INSPECT, FILE='ALBEDO_MAPS2.dat',STATUS='UNKNOWN')\n FIRSTCALL = .FALSE.\n ENDIF\n\n N = 7\n BIN_SPECTRA = 0.0\n \n call nlcdusgsmodis(albedomap)\n \n do 190 i = 1,64\n a(i) = albedomap(1,i)\n b(i) = albedomap(2,i)\n c(i) = int(albedomap(3,i))\n d(i) = int(albedomap(4,i))\n e(i) = int(albedomap(5,i))\n f(i) = int(albedomap(6,i))\n190 continue\n\n do 290 i = 1,64\n if(a(i).ne.0)then\n icount = icount + 1\n temparray(icount,1) = real(c(i))\n\ttemparray(icount,2) = a(i)\n\ttemparray(icount,3) = real(f(i))\n\n endif\n290 continue\n do 390 i = 1,64\n if(b(i).ne.0)then\n jcount = jcount + 1\n temparray(jcount+icount,1) = real(d(i))\n\ttemparray(jcount+icount,2) = b(i)\n\ttemparray(jcount+icount,3) = real(f(i))\n\n endif\n390 continue\n do 490 i = 1,64\n if(e(i).ne.0)then\n kcount = kcount + 1\n temparray(kcount+icount+jcount,1) = real(e(i))\n\ttemparray(kcount+icount+jcount,2) = 1.\n\ttemparray(kcount+icount+jcount,3) = real(f(i))\n\n endif\n490 continue\n rewind(8)\n do 590 i = 1,icount\n\n ix = int(temparray(i,1))\n y = temparray(i,2)\n iz = int(temparray(i,3))\n\n nlcdmap(ix,1)=iz\n nlcdmap(ix,2)=y\n590 continue\n do 690 i = 1,jcount\n\n ix = int(temparray(i+icount,1))\n y = temparray(i+icount,2)\n iz = int(temparray(i+icount,3))\n\n usgsmap(ix,1)=iz\n usgsmap(ix,2)=y\n690 continue\n do 790 i = 1,kcount\n\n ix = int(temparray(i+icount+jcount,1))\n y = temparray(i+icount+jcount,2)\n iz = int(temparray(i+icount+jcount,3))\n\n modismap(ix,1)=iz\n modismap(ix,2)=y\n790 continue\n do 890 i = 1,icount\n nlcdtype(i,1) = real(i)\n nlcdtype(i,2) = nlcdmap(i,1)\n nlcdtype(i,3) = nlcdmap(i,2)\n\n890 continue \n do 990 i = 1,jcount\n usgstype(i,1) = real(i)\n usgstype(i,2) = usgsmap(i,1)\n usgstype(i,3) = usgsmap(i,2)\n\n990 continue\n do 1090 i = 1,kcount\n modistype(i,1) = real(i)\n modistype(i,2) = modismap(i,1)\n modistype(i,3) = modismap(i,2)\n\n1090 continue\n\n print*,LAND_SCHEME\n print*,INDEX(LAND_SCHEME, 'NLCD-MODIS')\n print*,INDEX(LAND_SCHEME, 'USGS24')\n print*,INDEX(LAND_SCHEME, 'MODIS')\n\n IF( INDEX(LAND_SCHEME, 'NLCD-MODIS') .GT. 0)THEN\n! NLCD Map\n do 2190 i = 1,icount\n\n INDEX_REF = INT( ALBMAP_REF2NLCD( i ) )\n FACTOR = ALBFAC_REF2NLCD( i )\n\n do 2170 nn = 1,n\n nlcd_spectra(i,nn,1) = bin_spectra(int(nlcdtype(i,2)),nn,1)\n\n\n nlcd_spectra(i,nn,2) = bin_spectra(int(nlcdtype(i,2)),nn,2)\n & * nlcdtype(i,3)\n\n nlcd_spectra(i,nn,2) = bin_spectra(INDEX_REF,nn,2)\n & * FACTOR\n\n ALBEDO_REF_TO_SCHEME( i, int(nlcdtype(i,2))) = nlcdtype(i,3)\n\n nlcd_spectra(i,nn,2) = min(nlcd_spectra(i,nn,2),1.00)\n nlcd_spectra(i,nn,2) = max(nlcd_spectra(i,nn,2),0.00)\n!! write(19,2000)i,nn,nlcd_spectra(i,nn,1),nlcd_spectra(i,nn,2) \n!!2000 format(2i6,2f12.4)\n IF(IO_INSPECT .GT. 0)THEN\n NAMEA = NLCD_LANDUSE(I)(1:LEN_TRIM(NLCD_LANDUSE(I)))\n NAMEB = SPECTRAL_LANDUSE(int(nlcdtype(i,2)))(1:LEN_TRIM(SPECTRAL_LANDUSE(int(nlcdtype(i,2)))))\n write(IO_INSPECT,2000)i,NAMEA,nn,nlcdtype(i,2),nlcdtype(i,3),nlcd_spectra(i,nn,1),\n & nlcd_spectra(i,nn,2),bin_spectra(int(nlcdtype(i,2)),nn,2),\n & NAMEB\n ENDIF\n2170 continue\n2190 continue\n\n IF(IO_INSPECT .GT. 0)THEN\n WRITE(IO_INSPECT,5001)'NUMB_NLCD_MODIS', icount\n\n ALLOCATE( BUFFER(icount) )\n BUFFER( 1:icount ) = nlcdtype(1:icount,2)\n\n CALL WRBF12D_HEADERB(IO_INSPECT, 5, icount,BUFFER,'NUMB_NLCD_MODIS',\n & 'ALBMAP_REF2NLCD', 'F')\n\n BUFFER( 1:icount ) = nlcdtype(1:icount,3)\n\n CALL WRBF12D_HEADERB(IO_INSPECT, 5, icount,BUFFER,'NUMB_NLCD_MODIS',\n & 'ALBFAC_REF2NLCD', 'F')\n\n DEALLOCATE( BUFFER )\n\n ENDIF\n\n RETURN\n ENDIF\n\n! USGS MAP\n IF( INDEX(LAND_SCHEME, 'USGS24') .GT. 0)THEN\n do 3190 i = 1,jcount\n\n\n INDEX_REF = INT( ALBMAP_REF2USGS( i ) )\n FACTOR = ALBFAC_REF2USGS( i )\n\n do 3170 nn = 1,n\n usgs_spectra(i,nn,1) = bin_spectra(int(usgstype(i,2)),nn,1)\n usgs_spectra(i,nn,2) = bin_spectra(int(usgstype(i,2)),nn,2)\n & * usgstype(i,3)\n\n usgs_spectra(i,nn,2) = bin_spectra(INDEX_REF,nn,2)\n & * FACTOR\n\n usgs_spectra(i,nn,2) = min(usgs_spectra(i,nn,2),1.00)\n usgs_spectra(i,nn,2) = max(usgs_spectra(i,nn,2),0.00)\n\n ALBEDO_REF_TO_SCHEME( i, int(USGStype(i,2))) = USGStype(i,3)\n\n!! write(19,2000)i,nn,usgs_spectra(i,nn,1),usgs_spectra(i,nn,2)\n IF(IO_INSPECT .GT. 0)THEN\n NAMEA = USGS_LANDUSE(I)(1:LEN_TRIM(USGS_LANDUSE(I)))\n NAMEB = SPECTRAL_LANDUSE(int(usgstype(i,2)))(1:LEN_TRIM(SPECTRAL_LANDUSE(int(usgstype(i,2)))))\n write(IO_INSPECT,2000)i,NAMEA,nn,usgstype(i,2),usgstype(i,3),usgs_spectra(i,nn,1),\n & usgs_spectra(i,nn,2),bin_spectra(int(usgstype(i,2)),nn,2),\n & NAMEB\n ENDIF\n3170 continue\n3190 continue\n\n IF(IO_INSPECT .GT. 0)THEN\n WRITE(IO_INSPECT,5001)'NUMB_USGS', jcount\n\n ALLOCATE( BUFFER(jcount) )\n BUFFER( 1:jcount ) = usgstype(1:jcount,2)\n\n CALL WRBF12D_HEADERB(IO_INSPECT, 5, jcount,BUFFER,'NUMB_USGS',\n & 'ALBMAP_REF2USGS', 'F')\n\n BUFFER( 1:jcount ) = usgstype(1:jcount,3)\n\n CALL WRBF12D_HEADERB(IO_INSPECT, 5, jcount,BUFFER,'NUMB_USGS',\n & 'ALBFAC_REF2USGS', 'F')\n\n DEALLOCATE( BUFFER )\n\n ENDIF\n\n RETURN\n ENDIF\n\n! MODIS Map\n IF( INDEX(LAND_SCHEME, 'MODIS') .GT. 0 .AND. INDEX(LAND_SCHEME, 'NLCD') .EQ. 0)THEN\n do 4190 i = 1,kcount\n\n INDEX_REF = INT( ALBMAP_REF2MODIS( i ) )\n FACTOR = ALBFAC_REF2MODIS( i )\n \n do 4170 nn = 1,n\n modis_spectra(i,nn,1) = bin_spectra(int(modistype(i,2)),nn,1)\n modis_spectra(i,nn,2) = bin_spectra(int(modistype(i,2)),nn,2)\n & * modistype(i,3)\n\n modis_spectra(i,nn,2) = bin_spectra(INDEX_REF,nn,2)\n & * FACTOR\n\n ALBEDO_REF_TO_SCHEME( i, int(MODIStype(i,2))) = MODIStype(i,3)\n\n modis_spectra(i,nn,2) = min(modis_spectra(i,nn,2),1.00)\n modis_spectra(i,nn,2) = max(modis_spectra(i,nn,2),0.00)\n!! write(19,2000)i,nn,modis_spectra(i,nn,1),modis_spectra(i,nn,2)\n IF(IO_INSPECT .GT. 0)THEN\n NAMEA = MODIS_LANDUSE(I)(1:LEN_TRIM(MODIS_LANDUSE(I)))\n NAMEB = SPECTRAL_LANDUSE(int(modistype(i,2)))(1:LEN_TRIM(SPECTRAL_LANDUSE(int(modistype(i,2)))))\n write(IO_INSPECT,2000)i,NAMEA,nn,modistype(i,2),modistype(i,3),modis_spectra(i,nn,1),\n & modis_spectra(i,nn,2),bin_spectra(int(modistype(i,2)),nn,2),\n & NAMEB\n ENDIF\n4170 continue\n4190 continue\n\n IF(IO_INSPECT .GT. 0)THEN\n WRITE(IO_INSPECT,5001)'NUMB_MODIS', kcount\n\n ALLOCATE( BUFFER(kcount) )\n BUFFER( 1:kcount ) = modistype(1:kcount,2)\n\n CALL WRBF12D_HEADERB(IO_INSPECT, 5, kcount,BUFFER,'NUMB_MODIS',\n & 'ALBMAP_REF2MODIS', 'F')\n\n BUFFER( 1:kcount ) = modistype(1:kcount,3)\n\n CALL WRBF12D_HEADERB(IO_INSPECT, 5, kcount,BUFFER,'NUMB_MODIS',\n & 'ALBFAC_REF2MODIS', 'F')\n\n DEALLOCATE( BUFFER )\n\n ENDIF\n RETURN\n\n ENDIF\n\n ALBEDO_REF_TO_SCHEME = -1.0 ! returned result produces error flag\n\n2000 FORMAT(i2,1X,a30,1X,i2,3(f7.3,1X),2(f8.4,1X),a30)\n5001 FORMAT(7X,'INTEGER, PARAMETER :: ',A,' = ',I4)\n\n! CLOSE(IO_INSPECT)\n return\n end \n!***********************************************************************\n!1\tAsner, G. Biophysical and biochemical sources of variability in canopy reflectance. \n!\tRemote Sens. Environ. 64:234-253, 1998.\n!\n!2\tBelward, A., and T. Loveland. The DIS 1km Land Cover Data Set, Global Change, The \n!\tIGBP Newsletter, #27, Sep., 1996. \n!\n!3\tBetts, A. K., and J. H. Ball. Albedo over the Boreal Forest, \n!\tJ. Geophys. Res., 102, 28901-28909, 1997. \n!\n!4\tBlumthaler, M., and W. Ambach. Solar UVB-albedo of various surfaces. \n!\tPhotochem. Photobiol. 48(1) 85-88, 1988.\n!\n!5\tBowker, D. E., R. E. Davis, D. L. Myrick, K. Stacy, and W. T. Jones. \n!\tSpectral Reflectances of Natural Targets for use in Remote Sensing Studies, \n!\tNASA Ref. Pub., 1139, June 1985.\n!\n!6\tBriegleb, B. P., P. Minnis, V. Ramanathan, and E. Harrison. Comparison of Regional \n!\tClear-Sky Albedos Inferred from Satellite Observations and Models Comparisons, \n!\tJ. Clim. Appl. Meteor., 25, 214-226, 1986. \n!\n!7\tBriegleb, B. P., and V. Ramanathan. Spectral and Diurnal Variations in Clear Sky \n!\tPlanetary Albedo, J. Appl. Meteor., 21, 1160-1171, 1982. \n!\n!8\tCoddington, Odele, K. S. Schmidt, P. Pilewskie, W. J. Gore, R. W. Bergstrom, \n!\tM. Roman, J. Redemann, P. B.Russell, J. Liu, and C. C. Schaaf. Aircraft measurements of \n!\tspectral surface albedo and its consistency with ground-based and space-borne observations. \n!\tJ. Geophys. Res. 113 (D17209), 2008.\n!\n!9\tDozier, J. Spectral signature of alpine snow cover from the Landsat Thematic Mapper. \n!\tRemote Sens. Environ. 28:9-22, 1989.\n!\n!10\tDozier, J., R. E. Davis, and R. Perla. On the objective analysis of snow microstructure. \n!\tAvalanche Formation, Movement and Effects (proceedings of the Davos Symposium, Sept. 1986. \n!\tIAHS Publ. no. 162, 1987.\n!\n!11\tDozier, J. and T. H. Painter. Multispectral and hyperspectral remote sensing of alpine \n!\tsnow properties. Annu. Rev. Earth Planet. Sci. 32:465-94, 2004.\n!\n!12\tDozier, J, and S. G. Warren. Effect of viewing angle on the infrared brightness \n!\ttemperature of snow. Water Resources Research, 18(5) 1424-1434, 1982.\n!\n!13\tFeister, U., and R. Grewe. Spectral albedo measurements in the uv and visible region \n!\tover different types of surfaces. Photochem.Photbiol. 62(4) 736-744, 1995.\n!\n!14\tFu, Qiang, and K.N. Liou. ON the Correlated k-Distribution Moethod for Radiative \n!\tTransfer in Nonhomogeneous Atmospheres. J. Atmos. Sci. 49(22) 2139-2156, 1992.\n!\n!15\tGrenfell, T. C. and D. K. Perovich. Spectral albedos of sea ice and incident solar \n!\tirradiance in the Southern Beaufort Sea, J. Geophys. Res., 89, 3573-3580. 1984.\n!\n!16\tGrenfell, T. C., S. G. Warren, and P. C. Mullen. Reflection of Solar Radiation By \n!\tThe Antarctic Snow Surface at Ultraviolet, Visible, and Near-Infrared Wavelengths, J. Geophys. Res., 99, 18669-18684, 1994. \n!\n!17\tHansen, F. V. Albedos. Army Research Laboratory. ARL-TR-57, 1993.\n!\n!18\tJin, Y, C.B. Schaaf, F. Gao, X. Li, and A.H. Strahler. How does snow impact\n!\tthe albedo of vegetated land surfaces as analysized with MODIS data? Geophys. Res.\n!\tLett. 29(10) 1374. 2002\n!19\tKoelemeijer, R. B. A., J. F. de Haan, and P. Stammes. A database of spectral surface \n!\treflectivity in the range 335-772 nm derived from 5.5 years of GOME observations. \n!\tJ. Geophys. Res. 108(D2) 4070, 2003.\n!\n!20\tLaepple, T. and M. G. Schultz. Improved albedo formulation for chemistry transport \n!\tmodels based on satellite observations and assimilated snow data and its impact on tropospheric \n!\tphotochemistry. J. Geophys. Res. 110(D) 11308, 2005.\n!\n!21\tLundberg, A, and J. Beringer. Albedo and snowmelt rates across a trundra-to-forest \n!\ttransition. 15th Inter. Northern Research Basins Symposium and Workshop, Lulea, Sweden, \n!\t29 Aug ? 2 Sep, 2005.\n!\n!22\tMichalsky, J. J., Q. L. Min, J. C. Barnard, R. T.Marchand, P. Pilewskie. Simultaneous \n!\tspectral albedo measurements near the ARM SGP central facility. Twelfth ARM Science Team Meeting \n!\tProceedings, St. Petersburg, FL, USA. April 8-12, 2002.\n!\n!23\tMoody, E.G, M.D. King, S. Platnick, C.B. Schaaf, F. Gao. Spatially complete global spectral \n!\tsurface albedos: value-added datasets derived from Terra MODIS land products. IEEE Trans. \n!\tOn Geoscience and Remote Sens. 43(1) 144-158. 2005. \n!\n!24\tMoody, E.G, M.D. King, C.B. Schaaf, D.K. Hall, and S. Platnick. Northern Hemisphere \n!\tfive-year average (2000-2004) spectral albedos of surfaces in the presence of snow: Statistics \n!\tcomputed from Terra MODIS land products. Remote Sens. Environment. 111, 337-345. 2007.\n!\n!25\tPayne, R. E., Albedo of the Sea Surface, J. Atmos. Sci., 29, 959-970, 1972. \n!\n!26\tPetzold, D. E., and A. N. Rencz. The albedo of selected subarctic surfaces. Arctic and \n!\tAlpine Res. 7(4) 393-8, 1975.\n!\n!27\tPinker, R. T., and A. Karnieli. Characteristic Spectral Reflectance of a semi-arid environment, \n!\tInt. J. Rem. Sens., 1995. \n!\n!28\tPrivette, J. L, T. F. Eck, D. W. Deering. Estimating spectral albedo and nadir reflectance \n!\tthrough inversion of simple BRDF models with AVHRR/MODIS-like data. \n!\tJ. Geophys. Res. 102(D24) 29,529-29,542, 1997.\n!\n!29\tRoesch, A., C. Schaaf, and F. Gao. Use of Moderate-Resolution Imaging Spectroradiometer \n!\tbidirectional reflectance distribution function products to enhance simulated surface albedos. \n!\tJ. Geophys. Res. 109(D) 12,105, 2004.\n!\n!30\tStaylor W. F. and A.C. Wilber. Global surface albedos estimated from ERBE data, \n!\tProceedings, 7th Conf. on Atmos. Rad., San Francisco, CA, 1990. \n!\n!31\tTaberner, M. B. Pinty, Y. Govaerts, S. Liang, M.M. Verstraete, N. Gobron, and J.L. Widlowski. \n!\tComparison of MISR and MODIS land surface albedos: methodology. \n!\tJ. Geophys. Res. 115(D) 05101, 2010.\n!\n!32\tTsuyuzaki, S., K Kushida, Y Kodama. Recovery of surface albedo and plant cover\n!\tafter wildfire in a Picea mariana forest in interior Alaska. Climatic Change 93:517?525, 2009.\n!\n!33\tWilber, A.C., D. P. Kratz, S. K. Gupta, Surface Emissivity Maps for Use of Satellite \n!\tRetrievals of Longwave Radiation, NASA Tech. Pub., TP-99-209362, 1999.\n!\n!34\tWendisch, M. P. Pilewskie, E. Jakel, S. Schmidt, J. Pommier, S. Howard, H.H. Jonsson, \n!\tH Guan, M. Schroder, and B. Mayer. Airborne measurements of areal spectral surface albedo over \n!\tdifferent sea and land surfaces. J. Geophys. Res. 109(D) 08203, 2004.\n!\n!35\tWarren, S. G., and W. J. Wiscombe. A model for the spectral albedo of snow. \n!\tII: Snow containing atmospheric aerosols. J. Atmosph. Sci. 37(12) 2734-45, 1980.\n!\n" }, { "path": "UTIL/inline_phot_preproc/src/wrbf12d.f", "content": "\nC***************************************************************************\nC Significant portions of Models-3/CMAQ software were developed by *\nC Government employees and under a United States Government contract. *\nC Portions of the software were also based on information from non- *\nC Federal sources, including software developed by research institutions *\nC through jointly funded cooperative agreements. These research institu- *\nC tions have given the Government permission to use, prepare derivative *\nC works, and distribute copies of their work to the public within the *\nC Models-3/CMAQ software release and to permit others to do so. EPA *\nC therefore grants similar permissions for use of Models-3/CMAQ software, *\nC but users are requested to provide copies of derivative works to the *\nC Government without re-strictions as to use by others. Users are *\nC responsible for acquiring their own copies of commercial software *\nC associated with the Models-3/CMAQ release and are also responsible *\nC to those vendors for complying with any of the vendors' copyright and *\nC license restrictions. In particular users must obtain a Runtime license *\nC for Orbix from IONA Technologies for each CPU used in Models-3/CMAQ *\nC applications. *\nC *\nC Portions of I/O API, PAVE, and the model builder are Copyrighted *\nC 1993-1997 by MCNC--North Carolina Supercomputing Center and are *\nC used with their permissions subject to the above restrictions. *\nC***************************************************************************\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/work/rep/MECH/src/driver/mech/WRBF12D.f,v 1.3 2001/03/05 19:50:14 yoj Exp $ \n\nC You can't put zeros in column 5 as a continuation character on Sun's\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC @(#)WRBF12D.F\t1.1 /project/mod3/MECH/src/driver/mech/SCCS/s.WRBF12D.F 02 Jan 1997 15:26:53\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE WRBF12D ( WRUNIT, AWPL, NEL, VAR, AFMT )\nC write an 8-byte variable to a 12-character buffer, format at no more than\nC 5 elements per line (due to FORMAT restrictions), then dump to file\n\n IMPLICIT NONE\n! INCLUDE 'PARMS.e'\n \n INTEGER WRUNIT ! logical write unit no.\n INTEGER AWPL, WPL ! words per line (max at 5)\n INTEGER NEL ! number of list elements\n REAL( 8 ) :: VAR( NEL ) ! real variable to write\n CHARACTER( 1 ) :: AFMT ! write format: D -> 1PD11.4, E -> 1PE11.4, F -> F11.5\n CHARACTER( 14 ) :: FMT1, FMT2\n CHARACTER( 14 ) :: DFMT1 = '(1PD11.4, '','')'\n CHARACTER( 14 ) :: DFMT2 = '(1PD11.4, ''/'')'\n CHARACTER( 14 ) :: EFMT1 = '(1PE11.4, '','')'\n CHARACTER( 14 ) :: EFMT2 = '(1PE11.4, ''/'')'\n CHARACTER( 14 ) :: FFMT1 = '(F11.5, '','') '\n CHARACTER( 14 ) :: FFMT2 = '(F11.5, ''/'') '\n INTEGER IRX, IRX0, IRX1, IRX2, IRXF, IOS, CNN\n INTEGER, PARAMETER :: LOGDEV = 6\n CHARACTER( 1 ) :: CONCHAR\n CHARACTER( 12 ) :: BUFF12( NEL )\n \nC----------------------------------------------------------------------\n\n WPL = MIN( AWPL, 5 )\n IF ( AFMT .EQ. 'D' ) THEN\n FMT1 = DFMT1\n FMT2 = DFMT2\n ELSE IF ( AFMT .EQ. 'E' ) THEN\n FMT1 = EFMT1\n FMT2 = EFMT2\n ELSE IF ( AFMT .EQ. 'F' ) THEN\n FMT1 = FFMT1\n FMT2 = FFMT2\n ELSE\n WRITE( LOGDEV,2001 ) AFMT\n2001 FORMAT(/ 5X, '*** Error setting write format in WRBF12 ***'\n & / 5X, 'Attempted argument value', A )\n STOP\n END IF\n\n DO IRX = 1, NEL-1\n WRITE( BUFF12( IRX ), FMT1, IOSTAT = IOS ) VAR( IRX )\n IF ( IOS .NE. 0 ) THEN\n WRITE( LOGDEV,2003 ) IRX, VAR( IRX ), IOS\n2003 FORMAT( /5X, '*** Error writing to internal buffer in WRBF12 ***'\n & /5X, 'Attempted to write element', I6,\n & 1X, 'and data:', 1PE11.4\n & /5X, 'IOSTATUS = ', I6)\n STOP\n END IF\n END DO\n WRITE( BUFF12( NEL ), FMT2, IOSTAT = IOS ) VAR( NEL )\n IF ( IOS .NE. 0 ) THEN\n WRITE( LOGDEV,2003 ) NEL, VAR( NEL ), IOS\n STOP\n END IF\n\n! IF ( AFMT .EQ. 'D' ) THEN\n! DO IRX = 1, NEL\n! BUFF12( IRX )( 8:8 ) = 'D'\n! END DO\n! END IF\n\n IF ( NEL / WPL .GE. 6 ) THEN \n IRX1 = 1\n IRXF = 0\n DO IRX0 = 1, NEL / WPL\n IRX2 = IRX1 + WPL - 1\n IF ( MOD( IRX0, 2 ) .NE. 0 ) THEN\n CNN = MOD( IRXF, 10 )\n IF ( CNN .NE. 0 ) THEN\n WRITE( CONCHAR, '(I1)' ) CNN\n ELSE\n CONCHAR = 'O'\n END IF\n IRXF = IRXF + 1\n ELSE\n CONCHAR = '+'\n END IF\n WRITE( WRUNIT, 1001, IOSTAT = IOS ) CONCHAR,\n & ( BUFF12( IRX ), IRX = IRX1, IRX2 )\n1001 FORMAT( 5X, A, 4X, 5A12 )\n IF ( IOS .NE. 0 ) THEN\n WRITE( LOGDEV,2005 ) WRUNIT, IRX, BUFF12( IRX ), IOS\n2005 FORMAT( /5X, '*** Error writing to external unit', I3, \n & 1X, 'in WRBF12 ***'\n & /5X, 'Attempted to write buffer index', I3,\n & 1X, 'with data:', A12\n & /5X, 'IOSTATUS = ', I6)\n STOP\n END IF\n IRX1 = IRX2 + 1\n END DO\n IF ( IRX1 .LE. NEL ) THEN ! assumes last DO index incremented by 1\n IF ( MOD( IRX1, 2 ) .NE. 0 ) THEN\n CNN = MOD( IRXF, 10 )\n IF ( CNN .NE. 0 ) THEN\n WRITE( CONCHAR, '(I1)' ) CNN\n ELSE\n CONCHAR = 'O'\n END IF\n ELSE\n CONCHAR = '+'\n END IF\n WRITE( WRUNIT, 1001, IOSTAT = IOS ) CONCHAR,\n & ( BUFF12( IRX ), IRX = IRX1, NEL )\n IF ( IOS .NE. 0 ) THEN\n WRITE( LOGDEV,2005 ) WRUNIT, IRX, BUFF12( IRX ), IOS\n STOP\n END IF\n END IF\n\n ELSE\n\n CONCHAR = '&'\n IRX1 = 1\n DO IRX0 = 1, NEL / WPL\n IRX2 = IRX1 + WPL - 1\n WRITE( WRUNIT, 1001, IOSTAT = IOS ) CONCHAR,\n & ( BUFF12( IRX ), IRX = IRX1, IRX2 )\n IF ( IOS .NE. 0 ) THEN\n WRITE( LOGDEV,2005 ) WRUNIT, IRX, BUFF12( IRX ), IOS\n STOP\n END IF\n IRX1 = IRX2 + 1\n END DO\n IF ( IRX1 .LE. NEL ) THEN ! assumes last DO index incremented by 1\n WRITE( WRUNIT, 1001, IOSTAT = IOS ) CONCHAR,\n & ( BUFF12( IRX ), IRX = IRX1, NEL )\n IF ( IOS .NE. 0 ) THEN\n WRITE( LOGDEV,2005 ) WRUNIT, IRX, BUFF12( IRX ), IOS\n STOP\n END IF\n END IF\n\n END IF\n \n RETURN\n END\n" }, { "path": "UTIL/inline_phot_preproc/src/wrbf12d_w_headerb.f", "content": "\nC***************************************************************************\nC Significant portions of Models-3/CMAQ software were developed by *\nC Government employees and under a United States Government contract. *\nC Portions of the software were also based on information from non- *\nC Federal sources, including software developed by research institutions *\nC through jointly funded cooperative agreements. These research institu- *\nC tions have given the Government permission to use, prepare derivative *\nC works, and distribute copies of their work to the public within the *\nC Models-3/CMAQ software release and to permit others to do so. EPA *\nC therefore grants similar permissions for use of Models-3/CMAQ software, *\nC but users are requested to provide copies of derivative works to the *\nC Government without re-strictions as to use by others. Users are *\nC responsible for acquiring their own copies of commercial software *\nC associated with the Models-3/CMAQ release and are also responsible *\nC to those vendors for complying with any of the vendors' copyright and *\nC license restrictions. In particular users must obtain a Runtime license *\nC for Orbix from IONA Technologies for each CPU used in Models-3/CMAQ *\nC applications. *\nC *\nC Portions of I/O API, PAVE, and the model builder are Copyrighted *\nC 1993-1997 by MCNC--North Carolina Supercomputing Center and are *\nC used with their permissions subject to the above restrictions. *\nC***************************************************************************\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/work/rep/MECH/src/driver/mech/WRBF12D.f,v 1.3 2001/03/05 19:50:14 yoj Exp $ \n\nC You can't put zeros in column 5 as a continuation character on Sun's\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC @(#)WRBF12D.F\t1.1 /project/mod3/MECH/src/driver/mech/SCCS/s.WRBF12D.F 02 Jan 1997 15:26:53\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE WRBF12D_HEADERB (WRUNIT,AWPL,NEL,VAR,NELNAME,\n & VARNAME,AFMT)\nC write an 8-byte variable to a 12-character buffer, format at no more than\nC 5 elements per line (due to FORMAT restrictions), then dump to file\n\n IMPLICIT NONE\n! INCLUDE 'PARMS.e'\n \n INTEGER WRUNIT ! logical write unit no.\n INTEGER AWPL, WPL ! words per line (max at 5)\n INTEGER NEL ! number of list elements\n REAL :: VAR( NEL ) ! real variable to write\n CHARACTER( * ) :: NELNAME ! name for number of list elements\n CHARACTER( * ) :: VARNAME ! name of real variable\n CHARACTER( 1 ) :: AFMT ! write format: D -> 1PD11.4, E -> 1PE11.4, F -> F11.5\n CHARACTER( 14 ) :: FMT1, FMT2\n CHARACTER( 19 ) :: CHAR_SCR\n CHARACTER( 14 ) :: DFMT1 = '(1PD11.4, '','')'\n CHARACTER( 14 ) :: DFMT2 = '(1PD11.4, ''/'')'\n CHARACTER( 14 ) :: EFMT1 = '(1PE11.4, '','')'\n CHARACTER( 14 ) :: EFMT2 = '(1PE11.4, ''/'')'\n CHARACTER( 14 ) :: FFMT1 = '(F11.4, '','') '\n CHARACTER( 14 ) :: FFMT2 = '(F11.4, ''/'') '\n INTEGER IRX, IRX0, IRX1, IRX2, IRXF, IOS, CNN\n INTEGER, PARAMETER :: LOGDEV = 6\n CHARACTER( 1 ) :: CONCHAR\n CHARACTER( 12 ) :: BUFF12( NEL )\n \nC----------------------------------------------------------------------\n\n WPL = MIN( AWPL, 5 )\n IF ( AFMT .EQ. 'D' ) THEN\n FMT1 = DFMT1\n FMT2 = DFMT2\n ELSE IF ( AFMT .EQ. 'E' ) THEN\n FMT1 = EFMT1\n FMT2 = EFMT2\n ELSE IF ( AFMT .EQ. 'F' ) THEN\n FMT1 = FFMT1\n FMT2 = FFMT2\n ELSE\n WRITE( LOGDEV,2001 ) AFMT\n2001 FORMAT(/ 5X, '*** Error setting write format in WRBF12 ***'\n & / 5X, 'Attempted argument value', A )\n STOP\n END IF\n\nC CHAR_SCR = 'NN_' // VARNAME(1:LEN_TRIM(VARNAME))\n \n CHAR_SCR = NELNAME( 1:LEN_TRIM( NELNAME ) )\n\nC WRITE( WRUNIT, 4401 ) CHAR_SCR, NEL\n4401 FORMAT( /6X, 'INTEGER, PARAMETER', 1X, ':: ',A,' =', I4 )\n\n WRITE( WRUNIT, 4402 )VARNAME(1:LEN_TRIM(VARNAME)),\n & CHAR_SCR(1:LEN_TRIM(CHAR_SCR))\n4402 FORMAT( /6X, 'REAL ', 10X, ':: ',A,'( ',A,' )' )\n\n WRITE( WRUNIT, 3407 )VARNAME(1:LEN_TRIM(VARNAME))\n3407 FORMAT( 6X, 'DATA ',A,' /' )\n\n\n DO IRX = 1, NEL-1\n WRITE( BUFF12( IRX ), FMT1, IOSTAT = IOS ) VAR( IRX )\n IF ( IOS .NE. 0 ) THEN\n WRITE( LOGDEV,2003 ) IRX, VAR( IRX ), IOS\n STOP\n END IF\n END DO\n WRITE( BUFF12( NEL ), FMT2, IOSTAT = IOS ) VAR( NEL )\n IF ( IOS .NE. 0 ) THEN\n WRITE( LOGDEV,2003 ) NEL, VAR( NEL ), IOS\n STOP\n END IF\n\n! IF ( AFMT .EQ. 'D' ) THEN\n! DO IRX = 1, NEL\n! BUFF12( IRX )( 8:8 ) = 'D'\n! END DO\n! END IF\n\n IF ( NEL / WPL .GE. 6 ) THEN \n IRX1 = 1\n IRXF = 0\n DO IRX0 = 1, NEL / WPL\n IRX2 = IRX1 + WPL - 1\n IF ( MOD( IRX0, 2 ) .NE. 0 ) THEN\n CNN = MOD( IRXF, 10 )\n IF ( CNN .NE. 0 ) THEN\n WRITE( CONCHAR, '(I1)' ) CNN\n ELSE\n CONCHAR = 'O'\n END IF\n IRXF = IRXF + 1\n ELSE\n CONCHAR = '+'\n END IF\n WRITE( WRUNIT, 1001, IOSTAT = IOS ) CONCHAR,\n & ( BUFF12( IRX ), IRX = IRX1, IRX2 )\n1001 FORMAT( 5X, A, 4X, 5A12 )\n IF ( IOS .NE. 0 ) THEN\n WRITE( LOGDEV,2005 ) WRUNIT, IRX, BUFF12( IRX ), IOS\n2005 FORMAT( /5X, '*** Error writing to external unit', I3, \n & 1X, 'in WRBF12 ***'\n & /5X, 'Attempted to write buffer index', I3,\n & 1X, 'with data:', A12\n & /5X, 'IOSTATUS = ', I6)\n STOP\n END IF\n IRX1 = IRX2 + 1\n END DO\n IF ( IRX1 .LE. NEL ) THEN ! assumes last DO index incremented by 1\n IF ( MOD( IRX1, 2 ) .NE. 0 ) THEN\n CNN = MOD( IRXF, 10 )\n IF ( CNN .NE. 0 ) THEN\n WRITE( CONCHAR, '(I1)' ) CNN\n ELSE\n CONCHAR = 'O'\n END IF\n ELSE\n CONCHAR = '+'\n END IF\n WRITE( WRUNIT, 1001, IOSTAT = IOS ) CONCHAR,\n & ( BUFF12( IRX ), IRX = IRX1, NEL )\n IF ( IOS .NE. 0 ) THEN\n WRITE( LOGDEV,2005 ) WRUNIT, IRX, BUFF12( IRX ), IOS\n STOP\n END IF\n END IF\n\n ELSE\n\n CONCHAR = '&'\n IRX1 = 1\n DO IRX0 = 1, NEL / WPL\n IRX2 = IRX1 + WPL - 1\n WRITE( WRUNIT, 1001, IOSTAT = IOS ) CONCHAR,\n & ( BUFF12( IRX ), IRX = IRX1, IRX2 )\n IF ( IOS .NE. 0 ) THEN\n WRITE( LOGDEV,2005 ) WRUNIT, IRX, BUFF12( IRX ), IOS\n STOP\n END IF\n IRX1 = IRX2 + 1\n END DO\n IF ( IRX1 .LE. NEL ) THEN ! assumes last DO index incremented by 1\n WRITE( WRUNIT, 1001, IOSTAT = IOS ) CONCHAR,\n & ( BUFF12( IRX ), IRX = IRX1, NEL )\n IF ( IOS .NE. 0 ) THEN\n WRITE( LOGDEV,2005 ) WRUNIT, IRX, BUFF12( IRX ), IOS\n STOP\n END IF\n END IF\n\n END IF\n\n2003 FORMAT( /5X, '*** Error writing to internal buffer in WRBF12 ***'\n & /5X, 'Attempted to write element', I6,\n & 1X, 'and data:', 1PE11.4\n & /5X, 'IOSTATUS = ', I6)\n \n RETURN\n END\n" }, { "path": "UTIL/inline_phot_preproc/src/wrt_csqy_data.F", "content": " SUBROUTINE WRT_CSQY_DATA( WLIN, CS_IN, QY_IN, NWLIN, SPECTRA_NAME, SPECTRA_TYPE,\n & WLL_AVE, WLU_AVE, CS_AVE, QY_AVE, NWL_AVE )\n\n! USE JPROC_PROFILE\n USE GET_ENV_VARS \n USE BIN_DATA\n USE CSQY_REFER_DATA\n USE ALBEDO_REFER_DATA\n\n IMPLICIT NONE \n \n! INCLUDE 'JVALPARMS.EXT' ! jproc parameters\n\n\nC...........ARGUMENTS and their descriptions\n\n CHARACTER( 1), INTENT( IN ) :: SPECTRA_TYPE ! spectra type\n CHARACTER(16), INTENT( IN ) :: SPECTRA_NAME ! spectra type\n INTEGER, INTENT( IN ) :: NWLIN ! number of intervals CQin\n REAL, INTENT( IN ) :: WLIN ( : ) ! wl for CQin\n REAL, INTENT( IN ) :: CS_IN( : ) ! cross-section as f(WLIN)\n REAL, INTENT( IN ) :: QY_IN( : ) ! quantum yield as f(WLIN)\n REAL, INTENT( OUT) :: WLL_AVE( : ) ! lower limit on wl int ETin\n REAL, INTENT( OUT ) :: WLU_AVE( : ) ! upper limit on wl int ETin\n REAL, INTENT( OUT ) :: CS_AVE( : ) ! cross-section as f(WL_AVE)\n REAL, INTENT( OUT ) :: QY_AVE( : ) ! quantum yield as f(WL_AVE)\n INTEGER, INTENT( OUT ) :: NWL_AVE\n\nC...........LOCAL VARIABLES and their descriptions:\n \n CHARACTER(16) :: PNAME = 'WRT_CSQY_DATA' ! program name\n CHARACTER(80) :: MSG = ' ' ! message\n\nC...........PARAMETERS and their descriptions\n\n! INTEGER, PARAMETER :: XSTAT2 = 2 ! Program ERROR exit status\n! integer, parameter :: NBO = 100\n! integer, parameter :: NSO = 40000\n! integer, parameter :: NZO = 13550\n! integer, parameter :: NJO = 18 \n\n! INTEGER, SAVE :: NB, J1, J2, K1, K2 ! array limits and markers\n INTEGER :: I, J, K ! index counters\n\n REAL, ALLOCATABLE, SAVE :: WLIN1( : ) ! lower limit on wl int CQin\n REAL, ALLOCATABLE, SAVE :: WLIN2( : ) ! upper limit on wl int CQin\n\n! REAL(8), SAVE :: SRB(15,NJO)\n! REAL(8), SAVE :: WBIN(NBO + 1 )\n! REAL(8) :: FBIN(NBO)\n! REAL(8) :: ABIN(NBO)\n! REAL(8) :: CBIN(NBO)\n! REAL(8) :: DBIN(NBO)\n! REAL(8) :: EBIN(NBO)\n\n REAL(8), ALLOCATABLE, SAVE :: FBIN( : )\n REAL(8), ALLOCATABLE, SAVE :: ABIN( : )\n REAL(8), ALLOCATABLE, SAVE :: CBIN( : )\n REAL(8), ALLOCATABLE, SAVE :: DBIN( : )\n REAL(8), ALLOCATABLE, SAVE :: EBIN( : )\n\n REAL :: TEMP ! temperature, K\n REAL(8) :: WW \n\n REAL(8), ALLOCATABLE, SAVE :: FFBIN( : )\n REAL(8), ALLOCATABLE, SAVE :: AABIN( : )\n REAL(8), ALLOCATABLE, SAVE :: CCBIN( : )\n REAL(8), ALLOCATABLE, SAVE :: DDBIN( : )\n REAL(8), ALLOCATABLE, SAVE :: EEBIN( : )\n\n\n! INTEGER, SAVE :: IJX(NBO)\n INTEGER :: ITTR\n\n! REAL, ALLOCATABLE, SAVE :: W(:), F(:)\n REAL, ALLOCATABLE, SAVE :: XCOUT(:), QYOUT(:)\n! REAL, ALLOCATABLE, SAVE :: WL(:), WU(:), WC(:)\n! INTEGER, SAVE :: IBINJ(NSO)\n REAL :: XNEW\n\n CHARACTER(8) :: TITLNEW\n CHARACTER(16) :: SAFE_NAME\n CHARACTER(60) :: VNAME\n\n\n\n LOGICAL, SAVE :: FIRSTCALL = .TRUE.\n\n\n REAL, SAVE :: TEMPERATURE(N_TEMPERATURE)\n REAL :: DELTA_TEMP\n REAL :: TEMP_STRT, TEMP_FINI\n REAL, SAVE :: TEMP_STRAT(N_TEMP_STRAT)\n\n INTEGER :: IRXN\n\n INTEGER, PARAMETER :: NZ = N_TEMPERATURE\n REAL :: AIR_TEMP(NZ) = 298 ! air temperature [K]\n REAL :: NUM_DENS(NZ) = DENS0 ! air number density [molec/cm3]\n LOGICAL :: REPLACE ! flag to use sq values in calling routine \n\n REAL, ALLOCATABLE, SAVE :: XCROSS( : , : ) ! cross-section [CM2]\n REAL, ALLOCATABLE, SAVE :: YIELD(: , : ) ! quantum yield [dimensionaless]\n REAL, ALLOCATABLE, SAVE :: XCROSS_EFF(: , : ) ! cross-section times yield [CM2]\n\n REAL, ALLOCATABLE, SAVE :: WC_EXT( : )\n REAL, ALLOCATABLE, SAVE :: WC_ASF( : )\n REAL, ALLOCATABLE, SAVE :: WC_SSA( : )\n\n REAL, PARAMETER :: CLOUD_RADIUS_LIQUID = 10.0 ! mean cloud droplet radii, um\n\n INTEGER, PARAMETER :: NAERO_REFRACT = 5 \n\n LOGICAL, SAVE :: WRITE_AE_REFRACT = .FALSE. ! .FALSE.\n\n CHARACTER( 5 ) :: WVL_AE_REFRAC\n CHARACTER( 13 ) :: AERO_INDEX = 'WVL_AE_REFRAC'\n\n CHARACTER( 16 ) :: AERO_REFRACT_INDX( NAERO_REFRACT ) \n DATA AERO_REFRACT_INDX / \"WATER\", \"SOLUTE\", \"DUST\", \"SEASALT\", \"SOOT\" /\n\n REAL, ALLOCATABLE :: AERO_IMAG_REFRACT( :, : )\n REAL, ALLOCATABLE :: AERO_REAL_REFRACT( :, : )\n\n REAL, ALLOCATABLE, SAVE :: MODIS_ALBEDO( :, :) ! NJO, NUMB_LANDUSE_MODIS )\n\n REAL, ALLOCATABLE, SAVE :: CS_PHOT( :, :, :) ! N_TEMPERATURE, N_INLINE_BAND, NPHOTAB)\n REAL, ALLOCATABLE, SAVE :: QY_PHOT( :, :, :) ! N_TEMPERATURE, N_INLINE_BAND, NPHOTAB)\n REAL, ALLOCATABLE, SAVE :: ECS_PHOT( :, :, :) ! N_TEMPERATURE, N_INLINE_BAND, NPHOTAB)\n REAL, ALLOCATABLE, SAVE :: EQY_PHOT( :, :, :) ! N_TEMPERATURE, N_INLINE_BAND, NPHOTAB)\n\n REAL, ALLOCATABLE, SAVE :: O3_CS_STRAT( :, :) ! N_TEMP_STRAT, N_INLINE_BAND)\n REAL, ALLOCATABLE, SAVE :: O3_QY_STRAT( :, :) ! N_TEMP_STRAT, N_INLINE_BAND)\n REAL, ALLOCATABLE, SAVE :: O3_ECS_STRAT( :, :) ! N_TEMP_STRAT, N_INLINE_BAND)\n REAL, ALLOCATABLE, SAVE :: O3_EQY_STRAT( :, :) ! N_TEMP_STRAT, N_INLINE_BAND)\n\n REAL, EXTERNAL :: OZONE_YIELD\n\n INTERFACE\n SUBROUTINE XC_QY_TD_EFFECT(WC,NW,TLEV,DENS,NZ,\n & JLABEL,XC,QY,SQ,REPLACE)\n INTEGER, INTENT( IN ) :: NW\n REAL, INTENT( IN ) :: WC(:)\n INTEGER, INTENT( IN ) :: NZ\n REAL, INTENT( IN ) :: TLEV(:) ! AIR TEMPERATURE OVER MODEL LEVELS, DEG K\n REAL, INTENT( IN ) :: DENS(:) ! AIR NUMBER DENSITY OVER LEVEL, 1/CM3\n CHARACTER(16), INTENT( IN ) :: JLABEL ! NAME OF PHOTOLYSIS RATE\n REAL, INTENT( INOUT ) :: XC(:,:) ! CROSS-SECTION FROM FILE\n REAL, INTENT( INOUT ) :: QY(:,:) ! QUANTUM YIELD FROM FILE\n REAL, INTENT( OUT ) :: SQ(:,:) ! CROSS-SECTION TIMES QUANTUM YIELD OVER MODEL LEVELS\n LOGICAL, INTENT( OUT ) :: REPLACE ! FLAG TO USE SQ VALUES IN CALLING ROUTINE \n END SUBROUTINE XC_QY_TD_EFFECT\n SUBROUTINE INTAVG ( WLIN, CQIN, NWLIN, SPECTRA_TYPE,\n & NWLOUT, WLOUT1, WLOUT2, CQOUT )\n CHARACTER(1), INTENT( IN ) :: SPECTRA_TYPE ! spectra type\n INTEGER, INTENT( IN ) :: NWLOUT ! number of intervals ETin\n INTEGER, INTENT( IN ) :: NWLIN ! number of intervals CQin\n REAL, INTENT( IN ) :: WLIN ( : ) ! wl for CQin\n REAL, INTENT( IN ) :: CQIN( : ) ! quantity (CS or QY) as f(WLIN)\n REAL, INTENT( INOUT ) :: WLOUT1( : ) ! lower limit on wl int ETin\n REAL, INTENT( INOUT ) :: WLOUT2( : ) ! upper limit on wl int ETin\n REAL, INTENT( OUT ) :: CQOUT ( : ) ! quantity (CS or QY) as f(WLOUT)\n END SUBROUTINE INTAVG\n SUBROUTINE INTAVG_C ( WLIN, CQIN, NWLIN, SPECTRA_TYPE,\n & NWLOUT, WLOUT1, WLOUT2, CQOUT )\n CHARACTER(1), INTENT( IN ) :: SPECTRA_TYPE ! spectra type\n INTEGER, INTENT( IN ) :: NWLOUT ! number of intervals ETin\n INTEGER, INTENT( IN ) :: NWLIN ! number of intervals CQin\n REAL, INTENT( IN ) :: WLIN ( : ) ! wl for CQin\n REAL, INTENT( IN ) :: CQIN( : ) ! quantity (CS or QY) as f(WLIN)\n REAL, INTENT( INOUT ) :: WLOUT1( : ) ! lower limit on wl int ETin\n REAL, INTENT( INOUT ) :: WLOUT2( : ) ! upper limit on wl int ETin\n REAL, INTENT( OUT ) :: CQOUT ( : ) ! quantity (CS or QY) as f(WLOUT)\n END SUBROUTINE INTAVG_C\n SUBROUTINE OPTICS_WATER_CLOUD(CLOUD_RADIUS_LIQUID, WC_EXT, WC_ASF, WC_SSA)\n REAL, INTENT( IN ) :: CLOUD_RADIUS_LIQUID\n REAL, INTENT( OUT ) :: WC_EXT( : )\n REAL, INTENT( OUT ) :: WC_ASF( : )\n REAL, INTENT( OUT ) :: WC_SSA( : )\n END SUBROUTINE OPTICS_WATER_CLOUD\n SUBROUTINE AERO_REFRACT_INDEX ( NAERO_REFRACT, AERO_REFRACT_INDX, AERO_REAL_REFRACT,\n & AERO_IMAG_REFRACT )\n INTEGER, INTENT( IN ) :: NAERO_REFRACT ! number of refractive indices\n CHARACTER( 16 ), INTENT( IN ) :: AERO_REFRACT_INDX( : ) ! names of refractive indices\n REAL, INTENT( OUT ) :: AERO_IMAG_REFRACT( :, : ) ! imaginary part of index [Dimensionaless]\n REAL, INTENT( OUT ) :: AERO_REAL_REFRACT( :, : ) ! real part of index [Dimensionaless]\n END SUBROUTINE AERO_REFRACT_INDEX\n SUBROUTINE SPECTRAL_REFLECT(MODIS_ALBEDO)\n IMPLICIT NONE\n REAL, INTENT( OUT ) :: MODIS_ALBEDO( :, : )\n END SUBROUTINE SPECTRAL_REFLECT\n SUBROUTINE CONVERT_CASE ( BUFFER, UPPER )\n CHARACTER(LEN= *), INTENT( INOUT ) :: BUFFER\n LOGICAL, INTENT( IN ) :: UPPER\n END SUBROUTINE CONVERT_CASE\n END INTERFACE\n\n IF( FIRSTCALL )THEN\n\n FIRSTCALL = .FALSE.\n\n CALL INIT_BIN_DATA\n\n IF( CHANGE_WBIN )THEN\n\n\n ALLOCATE( FBIN( NB_NEW + 1 ) )\n ALLOCATE( ABIN( NB_NEW + 1 ) )\n ALLOCATE( CBIN( NB_NEW + 1 ) )\n ALLOCATE( DBIN( NB_NEW + 1 ) )\n ALLOCATE( EBIN( NB_NEW + 1 ) )\n\n ELSE\n \n ALLOCATE( FBIN( NBO ) )\n ALLOCATE( ABIN( NBO ) )\n ALLOCATE( CBIN( NBO ) )\n ALLOCATE( DBIN( NBO ) )\n ALLOCATE( EBIN( NBO ) )\n\n ENDIF\n\n\n ITTR = 0\n IF(N_TEMPERATURE .LT. 4)THEN\n TEMP_FINI = 298.0\n TEMP_STRT = 248.0\n ELSE\n TEMP_FINI = 310.0\n TEMP_STRT = 210.0\n ENDIF\n DELTA_TEMP = (TEMP_FINI-TEMP_STRT)/FLOAT(N_TEMPERATURE-1)\n \n WRITE(JTABLE_UNIT,'(A8,1X,I3)')'NTEMP = ', N_TEMPERATURE\n WRITE(JTABLE_UNIT,'(A)')'! I TEMP( I ) K'\n DO I = 1, N_TEMPERATURE ! 248, 298, 25\n ITTR = ITTR + 1\n TEMPERATURE(ITTR) = TEMP_STRT + DELTA_TEMP*FLOAT(I-1)\n WRITE(JTABLE_UNIT,'(I3,2X,F6.2)')ITTR, TEMPERATURE(ITTR)\n ENDDO\n TEMP_STRAT( 1 ) = 180.0\n ITTR = 1\n DO I = 2, N_TEMP_STRAT ! 248, 298, 25\n ITTR = ITTR + 1\n TEMP_STRAT(ITTR) = TEMP_STRAT( 1 ) + 40.0*FLOAT(I)\nC WRITE(JTABLE_UNIT,'(I3,2X,F6.2)')ITTR, TEMPERATURE(ITTR)\n ENDDO\n\n! TEMPERATURE = 298.0\n \n! READ(PHOTAB_UNIT,'(10X,I3,//)')NTEMP_REF \n! DO I = 1, NTEMP_REF \n! READ(PHOTAB_UNIT,'(5X,F6.2)')TEMP_REF( I )\n! ENDDO\n\n ALLOCATE( XCOUT(NSO), QYOUT(NSO))\n ALLOCATE( AABIN(NJO_NEW), CCBIN( NJO_NEW), DDBIN(NJO_NEW), \n % EEBIN(NJO_NEW), FFBIN(NJO_NEW))\n ALLOCATE( XCROSS(NZ, NJO_NEW), YIELD(NZ, NJO_NEW), XCROSS_EFF(NZ,NJO_NEW) ) \n ALLOCATE( WC_EXT( NJO_NEW ), WC_ASF( NJO_NEW ), WC_SSA( NJO_NEW ))\n ALLOCATE( AERO_IMAG_REFRACT( NJO_NEW, NAERO_REFRACT ) )\n ALLOCATE( AERO_REAL_REFRACT( NJO_NEW, NAERO_REFRACT ) )\n\n WRITE(JTABLE_UNIT,5001)\n WRITE(JTABLE_UNIT,5002)\n WRITE(JTABLE_UNIT,5003)\n WRITE(JTABLE_UNIT,5004)\n WRITE(JTABLE_UNIT,5005)\n WRITE(JTABLE_UNIT,5006)\n\n! determine whether to write out spectral values of refractive index for aerosol species\n\n CALL VALUE_NAME ( AERO_INDEX, WVL_AE_REFRAC)\n\n CALL CONVERT_CASE( WVL_AE_REFRAC, .TRUE.)\n\n IF( WVL_AE_REFRAC(1:1) .EQ. 'T' .OR. WVL_AE_REFRAC(1:1) .EQ. 'Y' )THEN\n WRITE_AE_REFRACT = .TRUE.\n WRITE(6,'(A)')'Environment Variable WVL_AE_REFRAC set to '\n & // TRIM( WVL_AE_REFRAC ) // ' and adding aerosol refractive indice to'\n & // ' output '\n ELSE IF( WVL_AE_REFRAC(1:1) .EQ. 'F' .OR. WVL_AE_REFRAC(1:1) .EQ. 'N' )THEN\n WRITE_AE_REFRACT = .FALSE.\n WRITE(6,'(A)')'Environment Variable WVL_AE_REFRAC set to '\n & // TRIM( WVL_AE_REFRAC ) // ' and not writing aerosol refractive indice to'\n & // ' output '\n ELSE\n WRITE(6,' (A)')'Environment Variable WVL_AE_REFRAC set to '\n & // TRIM( WVL_AE_REFRAC ) // ' and must equal T, Y, F, or N.'\n & // ' Using default value of F'\n WRITE_AE_REFRACT = .FALSE.\n END IF\n\n IF( WRITE_AE_REFRACT )WRITE(JTABLE_UNIT,5007)\n\n IF( WRITE_AE_REFRACT )THEN\n WRITE(JTABLE_UNIT,4999)'N_INLINE_BAND = ', N_INLINE_BAND\n WRITE(JTABLE_UNIT,4999)'NAERO_REFRACT = ', NAERO_REFRACT\n WRITE(JTABLE_UNIT,4998)'NAMES_REFRACT_INDX = ', \n & ( TRIM( AERO_REFRACT_INDX( I ) ), I = 1, NAERO_REFRACT )\n ELSE\n WRITE(JTABLE_UNIT,4997)'N_INLINE_BAND = ', N_INLINE_BAND\n END IF\n\n\n4997 FORMAT(A16, 1X, I3)\n4998 FORMAT(A20, 1X, 4(A, ', '), A)\n4999 FORMAT(2(A16, 1X, I3, ', '), A20, 1X, 4(A, ', '), A)\n\n IF( WRITE_AE_REFRACT )THEN\n WRITE(JTABLE_UNIT,5009)'! I','START_WL_BIN(nm)',\n & 'EFFECT_WL_BIN_(nm)', 'END_WL_BIN_(nm)','solar_photons_(cm-2*s-1)',\n & 'CLD_EXT/LWC_(m2/g)','CLD_ASYM_FACT','CLD_COALBEDO',\n & ( 'AE_' // TRIM( AERO_REFRACT_INDX( I ) ) // \"_REAL\", \n & 'AE_' // TRIM( AERO_REFRACT_INDX ( I ) ) // \"_IMAG\",\n & I = 1, NAERO_REFRACT )\n ELSE\n WRITE(JTABLE_UNIT,5009)'! I','START_WL_BIN(nm)',\n & 'EFFECT_WL_BIN_(nm)', 'END_WL_BIN_(nm)','solar_photons_(cm-2*s-1)',\n & 'CLD_EXT/LWC_(m2/g)','CLD_ASYM_FACT','CLD_COALBEDO'\n END IF\n\n CALL OPTICS_WATER_CLOUD(CLOUD_RADIUS_LIQUID, WC_EXT, WC_ASF, WC_SSA)\n\n! DO I = 1, N_INLINE_BAND ! 248, 298, 25\n! ITTR = NJO_NEW - N_INLINE_BAND + I \n! print*,ITTR, WC_EXT(ITTR), WC_ASF(ITTR), WC_SSA(ITTR)\n! ENDDO\n! pause\n\n AERO_IMAG_REFRACT = 0.0\n AERO_REAL_REFRACT = 0.0\n\n CAll AERO_REFRACT_INDEX ( NAERO_REFRACT, AERO_REFRACT_INDX, AERO_REAL_REFRACT,\n & AERO_IMAG_REFRACT )\n\n IF( WRITE_AE_REFRACT )THEN\n DO I = 1, N_INLINE_BAND ! 248, 298, 25\n ITTR = NJO_NEW - N_INLINE_BAND + I \n WRITE(JTABLE_UNIT,5008)I,\n & STWL_NEW(ITTR+2), EFFECTIVE_LAMBDA(ITTR), ENDWL_NEW(ITTR+2),\n & SOLAR_PHOTONS( ITTR ), WC_EXT(ITTR), WC_ASF(ITTR), WC_SSA(ITTR),\n & ( AERO_REAL_REFRACT( ITTR, J ), AERO_IMAG_REFRACT( ITTR, J ), \n & J = 1, NAERO_REFRACT )\n ENDDO\n ELSE\n DO I = 1, N_INLINE_BAND ! 248, 298, 25 \n ITTR = NJO_NEW - N_INLINE_BAND + I \n WRITE(JTABLE_UNIT,5008)I,\n & STWL_NEW(ITTR+2), EFFECTIVE_LAMBDA(ITTR), ENDWL_NEW(ITTR+2),\n & SOLAR_PHOTONS( ITTR ), WC_EXT(ITTR), WC_ASF(ITTR), WC_SSA(ITTR)\n ENDDO\n END IF\n\n\n! READ(PHOTAB_UNIT,'(17X,I3,2/)')NWL\n! DO I = 1, NWL\n! READ(PHOTAB_UNIT,'(4X,,3(5X,F8.3,5X))')\n! & STWL(I), WAVELENGTH(ITTR), ENDWL(I) \n! ENDDO\n\n! WRITE(JTABLE_UNIT,3011)\n!3011 FORMAT('!Solar Flux at top of atmosphere, photon/cm2/s'\n! DO I = 1, N_INLINE_BAND ! 248, 298, 25\n! ITTR = NJO_NEW - N_INLINE_BAND + I \n! WRITE(JTABLE_UNIT,'(I3,1X,3(5X,F8.3,5X))')I,\n! & SOLAR_PHOTONS(ITTR+2)\n! ENDDO\n\n write(JTABLE_UNIT,2007)\n write(JTABLE_UNIT,2009)\n write(JTABLE_UNIT,3010)\n\n WRITE(JTABLE_UNIT,'(A7,7X,A8,3X,A4,3X,40(A5,I3,A1,5X))')'!PHOTAB',\n & 'QUANTITY','TEMP',('WBIN(',J,')', J = 1, N_INLINE_BAND)\n\n\n! DO J = 1, NZ\n! XCROSS(J, 1:NJO_NEW) = 6.5E-19\n! YIELD(J, 1:NJO_NEW) = 1.0\n! ENDDO\n\n ALLOCATE( CS_PHOT( N_TEMPERATURE, N_INLINE_BAND, NPHOTAB) )\n ALLOCATE( QY_PHOT( N_TEMPERATURE, N_INLINE_BAND, NPHOTAB) )\n ALLOCATE( ECS_PHOT( N_TEMPERATURE, N_INLINE_BAND, NPHOTAB) )\n ALLOCATE( EQY_PHOT( N_TEMPERATURE, N_INLINE_BAND, NPHOTAB) )\n\n ALLOCATE( O3_CS_STRAT( N_TEMP_STRAT, N_INLINE_BAND) ) \n ALLOCATE( O3_QY_STRAT( N_TEMP_STRAT, N_INLINE_BAND) )\n ALLOCATE( O3_ECS_STRAT( N_TEMP_STRAT, N_INLINE_BAND) )\n ALLOCATE( O3_EQY_STRAT( N_TEMP_STRAT, N_INLINE_BAND) )\n\n!...Compute Stratospheric Ozone Cross-Sections\n\n CALL INIT_CSQY_REFER_DATA()\n\n LOOP_STRAT: DO ITTR = 1, N_TEMP_STRAT\n\n TEMP = TEMP_STRAT(ITTR)\n\n DO J= 1, N_INLINE_BAND\n\n I = NJO_NEW - N_INLINE_BAND + J \n \n IF( TEMP_STRAT(ITTR) .LT. 293.0 .AND. TEMP_STRAT(ITTR) .GT. 218.0)THEN\n O3_CS_STRAT( ITTR, J) = (O3_XCROSS_293K(I)-O3_XCROSS_218K(I))\n & / 75.0\n & * (TEMP_STRAT(ITTR) - 218.0)\n & + O3_XCROSS_218K(I)\n ELSEIF( TEMP_STRAT(ITTR) .LE. 218.0)THEN\n O3_CS_STRAT( ITTR, J) = O3_XCROSS_218K(I)\n ELSEIF( TEMP_STRAT(ITTR) .GE. 293.0)THEN\n O3_CS_STRAT( ITTR, J) = O3_XCROSS_293K(I)\n END IF\n\n O3_QY_STRAT( ITTR, J) = OZONE_YIELD(WC(I),TEMP_STRAT(ITTR)) \n O3_EQY_STRAT( ITTR, J) = OZONE_YIELD(WC(I),TEMP_STRAT(ITTR))\n \n WRITE(6,99959)I,EFFECTIVE_LAMBDA(I),O3_CS_STRAT( ITTR, J),O3_QY_STRAT( ITTR, J)\n99959 FORMAT(\"O3_STRAT: \",I2,1X,\"LAMDBA: \",F7.2,1X,3(1PE12.4,1X)) \n! O3_CS_STRAT( ITTR, J) = 6.5E-19\n! O3_QY_STRAT( ITTR, J) = 1.0 \n! O3_ECS_STRAT( ITTR, J) = 6.5E-19\n! O3_EQY_STRAT( ITTR, J) = 1.0\n\n ENDDO\n\n!note assumes ozone dissociation cross-sections and yield do not depend on number density\n! on 08/02/13 this assumption is correct for the xc_yq_td_code.F code\n\n! CALL XC_QY_TD_EFFECT(EFFECTIVE_LAMBDA, NJO_NEW,\n! & AIR_TEMP,NUM_DENS,NZ,'O3O1D-06 ',\n! & XCROSS,YIELD,XCROSS_EFF,REPLACE)\n!\n\n! IF( REPLACE )THEN\n! print*,'using xcqy file for O3 Stratosphere'\n! DO J= 1, N_INLINE_BAND\n! O3_CS_STRAT( ITTR, J) = XCROSS(NZ, NJO_NEW - N_INLINE_BAND + J )\n! O3_QY_STRAT( ITTR, J) = YIELD(NZ, NJO_NEW - N_INLINE_BAND + J ) \n! O3_EQY_STRAT( ITTR, J) = YIELD(NZ, NJO_NEW - N_INLINE_BAND + J ) \n! ENDDO\n! ELSE\n! print*,'using xcqy file for O3 Stratosphere'\n! ENDIF\n\n ENDDO LOOP_STRAT\n\n IF( NPHOTAB .EQ. 0 )THEN\n WRITE(JTABLE_UNIT,5010)\n WRITE(JTABLE_UNIT,'(A14,1X,I3)')'NTEMP_STRAT = ', N_TEMP_STRAT\n WRITE(JTABLE_UNIT,'(A7,7X,A8,3X,A4,3X,40(A5,I3,A1,5X))')'! ',\n & 'QUANTITY','TEMP',('WBIN(',J,')', J = 1, N_INLINE_BAND)\n DO I = 1, N_TEMP_STRAT\n WRITE(JTABLE_UNIT,'(A16,1X,A5,1X,F8.3,1X,40(1PE12.6,2X))')'O3_STRAT ',\n & 'CS',TEMP_STRAT(I),(O3_CS_STRAT( I, J), J = 1, N_INLINE_BAND)\n ENDDO\n RETURN\n END IF\n\n ALLOCATE( MODIS_ALBEDO( NJO_NEW, NUMB_LANDUSE_MODIS ) )\n\n CALL SPECTRAL_REFLECT(MODIS_ALBEDO)\n\n\n print*,'completed firstcall in create module '\n\n END IF ! FIRSTCALL\n\n\n IRXN = -1\n\n DO I = 1, NPHOTAB\n IF( SPECTRA_NAME .EQ. PHOTAB(I) )THEN\n IRXN = I\n EXIT\n ENDIF\n ENDDO\n IF( IRXN .LE. 0 )THEN\n WRITE(6,*)'ERROR IN CREATE_MODULE: SPECTRA_NAME NOT in PHOTAB array '\n STOP\n ENDIF\n\n SAFE_NAME = SPECTRA_NAME\n J = LEN(SAFE_NAME)\n DO I = 1, LEN(SAFE_NAME)\n IF( SAFE_NAME(I:I) .EQ. '-' ) SAFE_NAME(I:I) = '_'\n ENDDO \n\n DO I = 1, NPHOT_DONE\n IF( SPECTRA_NAME .EQ. PHOT_DONE(I) )THEN\n WRITE(6,*)TRIM(SPECTRA_NAME),' already processed by ',TRIM(PHOT_DONE(I))\n RETURN\n ENDIF\n ENDDO\n NPHOT_DONE = NPHOT_DONE + 1\n PHOT_DONE(NPHOT_DONE) = PHOTAB(IRXN)\n\n\n CALL INTAVG_C(WLIN, CS_IN, NWLIN, SPECTRA_TYPE, NSO, WL, WU, XCOUT)\n CALL INTAVG_C(WLIN, QY_IN, NWLIN, SPECTRA_TYPE, NSO, WL, WU, QYOUT)\n\nc---now ready to do any flux-weighted means over the bins\n FBIN(:) = 0.d0\n ABIN(:) = 0.0d0 \n CBIN(:) = 0.0d0 \n DBIN(:) = 0.0d0 \n EBIN(:) = 0.0d0 \n\n\n do J=K1,K2\n K = J - K1 + 1\n\n I = IBINJ_NEW(J)\n if (I .gt. 0) then\n WW = W(J)\n FBIN(I) = FBIN(I) + F(J)\n ABIN(I) = ABIN(I) + F(J)*DBLE(XCOUT(J))\n CBIN(I) = CBIN(I) + F(J)*DBLE(QYOUT(J))\n DBIN(I) = DBIN(I) + F(J)*DBLE(XCOUT(J))*DBLE(QYOUT(J))\n EBIN(I) = DBIN(I)\n! ABIN(I) = ABIN(I) + F(J)*XNEW\n endif\n enddo\n\n do I=1,NB_NEW\n if (ABIN(I) .gt. 0.d0)EBIN(I) = EBIN(I)/ABIN(I)\n if (FBIN(I) .gt. 0.d0) then\n ABIN(I) = ABIN(I)/FBIN(I)\n CBIN(I) = CBIN(I)/FBIN(I)\n DBIN(I) = DBIN(I)/FBIN(I)\n endif\n enddo\n\n print*,'completed first average in create module '\n\nc---combine fast-JX bins: \nc--- non-SR bands (16:NB) are assigned a single JX bin\nc--- SR bands are split (by Opacity Distrib Fn) into a range of JX bins\n FFBIN(:) = 0.d0\n AABIN(:) = 0.d0\n CCBIN(:) = 0.d0\n DDBIN(:) = 0.d0\n EEBIN(:) = 0.d0\n XCROSS(:,:) = 0.d0\n YIELD(:,:) = 0.d0\n XCROSS_EFF(:,:) = 0.d0\n\n\n\n FFBIN(:) = 0.d0\n do I=16,NB_NEW\n! J = IJX(I)\n! J = IJX_CALC(I)\n J = IJX_BIN_NEW( I )\n FFBIN(J) = FFBIN(J) + FBIN(I)\n AABIN(J) = AABIN(J) + FBIN(I)*ABIN(I)\n CCBIN(J) = CCBIN(J) + FBIN(I)*CBIN(I)\n DDBIN(J) = DDBIN(J) + FBIN(I)*DBIN(I)\n EEBIN(J) = EEBIN(J) + FBIN(I)*ABIN(I)*EBIN(I)\n enddo\n do I=1,15\n do J=1,NJO_NEW\n FFBIN(J) = FFBIN(J) + FBIN(I)*SRB_NEW(I,J)\n AABIN(J) = AABIN(J) + FBIN(I)*ABIN(I)*SRB_NEW(I,J)\n CCBIN(J) = CCBIN(J) + FBIN(I)*CBIN(I)*SRB_NEW(I,J)\n DDBIN(J) = DDBIN(J) + FBIN(I)*DBIN(I)*SRB_NEW(I,J)\n EEBIN(J) = EEBIN(J) + FBIN(I)*ABIN(I)*EBIN(I)*SRB_NEW(I,J)\n enddo\n enddo\n\n\n \n\n NWL_AVE = NJO_NEW\n WLL_AVE = 0.0\n WLU_AVE = 0.0\n CS_AVE = 0.0\n QY_AVE = 0.0\n\n\n\n do J = 1, 8\n! WLL_AVE( J ) = STR_WV_FASTJX( J )\n! WLU_AVE( J ) = END_WV_FASTJX( J )\n WLL_AVE( J ) = STWL_NEW( J )\n WLU_AVE( J ) = ENDWL_NEW( J )\n enddo \n\n\n\n do J = 9, NJO_NEW\n! WLL_AVE( J ) = STR_WV_FASTJX( J + 2 )\n! WLU_AVE( J ) = END_WV_FASTJX( J + 2 )\n WLL_AVE( J ) = STWL_NEW( J + 2 )\n WLU_AVE( J ) = ENDWL_NEW( J + 2)\n enddo \n\n\n do J=1,NJO_NEW\n if (AABIN(J) .gt. 0.d0) EEBIN(J) = EEBIN(J)/AABIN(J)\n if (FFBIN(J) .gt. 0.d0)THEN\n AABIN(J) = AABIN(J)/FFBIN(J)\n CCBIN(J) = CCBIN(J)/FFBIN(J)\n DDBIN(J) = DDBIN(J)/FFBIN(J)\n CS_AVE( J ) = AABIN(J)\n QY_AVE( J ) = CCBIN(J)\n endif\n enddo\n\n print*,'completed second average in create module '\n\n\n DO ITTR = 1, N_TEMPERATURE ! note that NZ is 1 \n\n XCROSS(ITTR, 1:NJO_NEW) = CS_AVE(1:NJO_NEW)\n YIELD(ITTR, 1:NJO_NEW) = EEBIN(1:NJO_NEW)\n \n! NUM_DENS( ITTR ) = DENS0 ( DENS0 * T298K )/ TEMPERATURE(ITTR)\n\n DO J= 1, N_INLINE_BAND\n CS_PHOT( ITTR, J, IRXN) = CS_AVE( NJO_NEW - N_INLINE_BAND + J )\n QY_PHOT( ITTR, J, IRXN) = QY_AVE( NJO_NEW - N_INLINE_BAND + J ) \n ECS_PHOT( ITTR, J, IRXN) = DDBIN( NJO_NEW - N_INLINE_BAND + J )\n EQY_PHOT( ITTR, J, IRXN) = EEBIN( NJO_NEW - N_INLINE_BAND + J )\n ENDDO\n ENDDO\n\n REPLACE = .FALSE.\n\n print*,'calling XC_QY_TD_EFFECT for ',SPECTRA_NAME\n\n\n CALL XC_QY_TD_EFFECT(EFFECTIVE_LAMBDA, NJO_NEW,\n & TEMPERATURE,NUM_DENS,N_TEMPERATURE,SPECTRA_NAME,\n & XCROSS,YIELD,XCROSS_EFF,REPLACE)\n\n\n LOOP_TROP: DO ITTR = 1, N_TEMPERATURE\n\n TEMP = TEMPERATURE(ITTR)\n \n IF( REPLACE )THEN\n \n \n WRITE(6,99951)TRIM( SPECTRA_NAME ),TEMP,NUM_DENS(ITTR)\n99951 FORMAT('called XC_QY_TD_EFFECT for ',A,' at TEMP = ',f7.2,\n & ' and # DENS = ', 1PE12.4)\n \n DO J= 1, N_INLINE_BAND\n CS_PHOT( ITTR, J, IRXN) = XCROSS(ITTR, NJO_NEW - N_INLINE_BAND + J )\n QY_PHOT( ITTR, J, IRXN) = YIELD( ITTR, NJO_NEW - N_INLINE_BAND + J ) \n EQY_PHOT( ITTR, J, IRXN) = YIELD( ITTR, NJO_NEW - N_INLINE_BAND + J ) \n ENDDO\n ELSE\n print*,'using xcqy file for ',SPECTRA_NAME\n ENDIF\n\n ENDDO LOOP_TROP\n\n TEMP = 298.0\n write(6,'(A16,1X,A5,1X,F8.3,1X,40(1PE12.6,2X))')\n & TRIM(SAFE_NAME), 'CS0', TEMP, \n & (AABIN(NJO_NEW - N_INLINE_BAND + J),J= 1, N_INLINE_BAND)\n\n\n DO I = 1, N_TEMPERATURE\n\n WRITE(JTABLE_UNIT,'(A16,1X,A5,1X,F8.3,1X,40(1PE12.6,2X))')SPECTRA_NAME,\n & 'CS',TEMPERATURE(I),(CS_PHOT( I, J, IRXN), J = 1, N_INLINE_BAND)\n WRITE(JTABLE_UNIT,'(A16,1X,A5,1X,F8.3,1X,40(1PE12.6,2X))')SPECTRA_NAME,\n & 'EQY',TEMPERATURE(I),(EQY_PHOT( I, J, IRXN), J = 1, N_INLINE_BAND)\n\n WRITE(6,'(A16,1X,A5,1X,F8.3,1X,40(1PE12.6,2X))')SPECTRA_NAME,\n & 'CS',TEMPERATURE(I),(CS_PHOT( I, J, IRXN), J = 1, N_INLINE_BAND)\n\n\n ENDDO\n\n print*, ' Wrote CSQY DATA for ',SPECTRA_NAME\n\n IF( SPECTRA_NAME .EQ. PHOTAB( MAX( NPHOTAB,1 )) )THEN\n\n! write out the ozone cross-section for stratospheric temperatures\n\n WRITE(JTABLE_UNIT,5010)\n WRITE(JTABLE_UNIT,'(A14,1X,I3)')'NTEMP_STRAT = ', N_TEMP_STRAT\n WRITE(JTABLE_UNIT,'(A7,7X,A8,3X,A4,3X,40(A5,I3,A1,5X))')'! ',\n & 'QUANTITY','TEMP',('WBIN(',J,')', J = 1, N_INLINE_BAND)\n DO I = 1, N_TEMP_STRAT\n WRITE(JTABLE_UNIT,'(A16,1X,A5,1X,F8.3,1X,40(1PE12.6,2X))')'O3_STRAT ',\n & 'CS',TEMP_STRAT(I),(O3_CS_STRAT( I, J), J = 1, N_INLINE_BAND)\n ENDDO\n\n! write out the suface albedo data for each landuse\n\n WRITE(JTABLE_UNIT,5011)\n WRITE(JTABLE_UNIT,5013)'NUMB_LANDUSE_MODIS = ', NUMB_LANDUSE_MODIS\n WRITE(JTABLE_UNIT,5014)\n WRITE(JTABLE_UNIT,5013)'INDEX_GRASSLAND = ', INDEX_GRASSLAND\n WRITE(JTABLE_UNIT,5013)'INDEX_OCEAN_WATER = ', INDEX_OCEAN_WATER\n WRITE(JTABLE_UNIT,5013)'INDEX_SEA_ICE = ', INDEX_SEA_ICE\n WRITE(JTABLE_UNIT,5009)'! I','LANDUSE_CATEGORY',\n & 'ZENITH_ANGLE_COEFF', 'SEASONAL_COEFF','SNOW_COVER_COEEF'\n DO I = 1, NUMB_LANDUSE_MODIS\n WRITE(JTABLE_UNIT,5012)I, LANDUSE( I ), \n & ZENITH_COEFF( I ), SEASON_COEFF( I ), SNOW_COEFF( I )\n ENDDO\n WRITE(JTABLE_UNIT,'(A7,7X,A16,2X,40(A5,I3,A1,5X))')'! ',\n & 'LANDUSE CATEGORY',('WBIN(',J,')', J = 1, N_INLINE_BAND)\n DO I = 1, NUMB_LANDUSE_MODIS\n WRITE(JTABLE_UNIT,'(A30,1X,40(1PE12.6,2X))')\n & TRIM(LANDUSE(I)),(MODIS_ALBEDO( NJO_NEW - N_INLINE_BAND + J, I), J = 1, N_INLINE_BAND)\n ENDDO\n\n WRITE(JTABLE_UNIT,5015)\n\n WRITE(JTABLE_UNIT,5013)'NUMB_NLCD_MODIS = ', NUMB_NLCD_MODIS\n WRITE(JTABLE_UNIT,5009)'! I','LANDUSE_NLCD-MODIS','INDEX_ALBREF',\n & 'FAC_ALBREF'\n DO I = 1, NUMB_NLCD_MODIS\n WRITE(JTABLE_UNIT,5016)I, NLCD_LANDUSE( I ), \n & INT(ALBMAP_REF2NLCD( I )), ALBFAC_REF2NLCD( I )\n ENDDO\n\n WRITE(JTABLE_UNIT,5013)'NUMB_USGS = ', NUMB_USGS\n WRITE(JTABLE_UNIT,5009)'! I','LANDUSE_USGS','INDEX_ALBREF',\n & 'FAC_ALBREF'\n DO I = 1, NUMB_USGS\n WRITE(JTABLE_UNIT,5016)I, USGS_LANDUSE( I ), \n & INT(ALBMAP_REF2USGS( I )), ALBFAC_REF2USGS( I )\n ENDDO\n\n WRITE(JTABLE_UNIT,5013)'NUMB_MODIS_NOAH = ', NUMB_MODIS_NOAH\n WRITE(JTABLE_UNIT,5009)'! I','LANDUSE_MODIS-NOAH','INDEX_ALBREF',\n & 'FAC_ALBREF'\n DO I = 1, NUMB_MODIS_NOAH\n WRITE(JTABLE_UNIT,5016)I, MODIS_LANDUSE( I ), \n & INT(ALBMAP_REF2MODIS( I )), ALBFAC_REF2MODIS( I )\n ENDDO\n\n\n WRITE(JTABLE_UNIT,5013)'NUMB_NLCD40_MODIS = ', NUMB_NLCD40_MODIS\n WRITE(JTABLE_UNIT,5009)'! I','LANDUSE_NLCD40-MODIS','INDEX_ALBREF',\n & 'FAC_ALBREF'\n DO I = 1, NUMB_NLCD40_MODIS\n WRITE(JTABLE_UNIT,5016)I, NLCD40_LANDUSE( I ), \n & INT(ALBMAP_REF2NLCD40( I )), ALBFAC_REF2NLCD40( I )\n ENDDO\n\n\n ENDIF\n\n RETURN\n\n\n1001 FORMAT(A16,22X,F5.1,2X,F5.1)\n1003 FORMAT(61X,F9.1)\n2007 format('!... CS = absorption cross sections averaged over UCI Solar Flux')\n2009 format('!... QY = quantum yields averaged over UCI Solar Flux')\n3010 format('!... EQY = eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model')\n5001 FORMAT('! Cloud properties and aerosol refractive indices are weighted bin averages.')\n5002 FORMAT('! The former is based on HU & Stamnes (1993), An accurate parameterization of')\n5003 FORMAT('! the radiative properties of water clouds suitable for use in climate models,')\n5004 FORMAT('! J. of Climate, vol. 6, pp. 728-742. The values were calculated with an')\n5005 FORMAT('! equivalent radius of 10 micrometers. ')\n5006 FORMAT('! Note: Cloud extinction/LWC is in [1/m] over [g/m **3] where LWC is in g/m**3',\n & /, '! ')\n5007 FORMAT('! Complex refractive indices for aerosol components are based on ',\n & /,'! 1) Hess, M. P. Koepke, and I. Schult, Optical properties of aerosols and',\n & /,'! clouds: The software package OPAC, Bulletin of the American Meteorological', \n & /,'! Society, Vol 79, No 5, pp 831 - 844, May 1998. Available at',\n & /,'! www.lrz-muenchen.de/~uh234an/www/radaer/opac.htm',\n & /,'! 2) Segelstein, D., 1981: The Complex Refractive Index of Water, M.S. Thesis,',\n & /,'! University of Missouri--Kansas City, MO' )\n!5008 FORMAT(I3,1X,3(F8.3,2X),2X,ES12.4,2X,2(F8.3,2X),ES12.4,2X,8(F8.3,1X,ES12.4,1X))\n5008 FORMAT(I3,', ',3(F8.3,', '),ES12.4,', ',2(F8.3,', '),ES12.4,5(', ',F8.3,', ',ES12.4))\n!5009 FORMAT(A3, 20(', ',A))\n5009 FORMAT(A3,', ',3(A,', '),A,', ',2(A,', '),A,5(', ',A,', ',A))\n5010 FORMAT('! Ozone Cross-Section for Stratospheric Opacity based on Table 4-5 in',\n & /,'! Chemical Kinetics and Photochemical Data for Use in Atmospheric',\n & /,'! Studies Evaluation Number 15. Sander et. al: NASA-JPL 2006 ')\n5011 FORMAT('! Surface Albedo with wavelength dependence for 20 MODIS land use types.',\n & /,'! Correction factors are included for solar zenith angle and season.',\n & /,'! Note that an adjustment is used better match spectral estimates.',\n & /,'! REFERENCE: CERES/SARB Surface Properties database, May 2006',\n & /,'! http://www-surf.larc.nasa.gov/surf/pages/explan.html.')\n5012 FORMAT(I3,1X,A30,1X,3(F8.3,2X))\n5013 FORMAT(A21,1X,I3)\n5014 FORMAT('! Following two indices denote the categories assigned as generic',\n & /,'! land and water surfaces. The surfaces are used as the default',\n & /,'! land characterization scheme if scheme used is not known.')\n5015 FORMAT('! Following maps the above albedo data to three land characterization',\n & /,'! schemes commonly used in CMAQ applications.',\n & /,'! ')\n5016 FORMAT(I3,1X,A60,1X,I3,2X,3(F8.3,2X))\n\n END SUBROUTINE WRT_CSQY_DATA\n" }, { "path": "UTIL/inline_phot_preproc/src/wrt_csqy_data_only.F", "content": " SUBROUTINE WRT_CSQY_DATA_ONLY( WLIN, CS_IN, QY_IN, NWLIN, SPECTRA_NAME, SPECTRA_TYPE,\n & WLL_AVE, WLU_AVE, CS_AVE, QY_AVE, NWL_AVE )\n\n USE BIN_DATA\n USE CSQY_REFER_DATA\n USE ALBEDO_REFER_DATA\n\n IMPLICIT NONE \n \n!...........ARGUMENTS and their descriptions\n\n CHARACTER( 1), INTENT( IN ) :: SPECTRA_TYPE ! spectra type\n CHARACTER(16), INTENT( IN ) :: SPECTRA_NAME ! spectra type\n INTEGER, INTENT( IN ) :: NWLIN ! number of intervals CQin\n REAL, INTENT( IN ) :: WLIN ( : ) ! wl for CQin\n REAL, INTENT( IN ) :: CS_IN( : ) ! cross-section as f(WLIN)\n REAL, INTENT( IN ) :: QY_IN( : ) ! quantum yield as f(WLIN)\n REAL, INTENT( OUT) :: WLL_AVE( : ) ! lower limit on wl int ETin\n REAL, INTENT( OUT ) :: WLU_AVE( : ) ! upper limit on wl int ETin\n REAL, INTENT( OUT ) :: CS_AVE( : ) ! cross-section as f(WL_AVE)\n REAL, INTENT( OUT ) :: QY_AVE( : ) ! quantum yield as f(WL_AVE)\n INTEGER, INTENT( OUT ) :: NWL_AVE\n\n!...........PARAMETERS and their descriptions\n\n\n!...........LOCAL VARIABLES and their descriptions:\n \n CHARACTER(32) :: PNAME = 'WRT_CSQY_DATA_ONLY' ! program name\n CHARACTER(80) :: MSG = ' ' ! message\n\n\n INTEGER :: I, J, K ! index counters\n INTEGER :: ITTR\n INTEGER :: IRXN\n\n\n\n REAL, ALLOCATABLE, SAVE :: WLIN1( : ) ! lower limit on wl int CQin\n REAL, ALLOCATABLE, SAVE :: WLIN2( : ) ! upper limit on wl int CQin\n\n\n REAL(8), ALLOCATABLE, SAVE :: FBIN( : )\n REAL(8), ALLOCATABLE, SAVE :: ABIN( : )\n REAL(8), ALLOCATABLE, SAVE :: CBIN( : )\n REAL(8), ALLOCATABLE, SAVE :: DBIN( : )\n REAL(8), ALLOCATABLE, SAVE :: EBIN( : )\n\n REAL :: TEMP ! temperature, K\n REAL(8) :: WW \n\n REAL(8), ALLOCATABLE, SAVE :: FFBIN( : )\n REAL(8), ALLOCATABLE, SAVE :: AABIN( : )\n REAL(8), ALLOCATABLE, SAVE :: CCBIN( : )\n REAL(8), ALLOCATABLE, SAVE :: DDBIN( : )\n REAL(8), ALLOCATABLE, SAVE :: EEBIN( : )\n\n\n REAL, ALLOCATABLE, SAVE :: XCOUT(:), QYOUT(:)\n REAL :: XNEW\n\n\n\n REAL, SAVE :: TEMPERATURE(N_TEMPERATURE)\n REAL :: DELTA_TEMP\n REAL :: TEMP_STRT, TEMP_FINI\n REAL, SAVE :: TEMP_STRAT(N_TEMP_STRAT)\n\n INTEGER, PARAMETER :: NZ = N_TEMPERATURE\n REAL :: AIR_TEMP(NZ) = 298 ! air temperature [K]\n REAL :: NUM_DENS(NZ) = DENS0 ! air number density [molec/cm3]\n LOGICAL :: REPLACE ! flag to use sq values in calling routine \n\n REAL, ALLOCATABLE, SAVE :: XCROSS( : , : ) ! cross-section [CM2]\n REAL, ALLOCATABLE, SAVE :: YIELD(: , : ) ! quantum yield [dimensionaless]\n REAL, ALLOCATABLE, SAVE :: XCROSS_EFF(: , : ) ! cross-section times yield [CM2]\n\n REAL, ALLOCATABLE, SAVE :: CS_PHOT( :, :, :) ! N_TEMPERATURE, N_INLINE_BAND, NPHOTAB)\n REAL, ALLOCATABLE, SAVE :: QY_PHOT( :, :, :) ! N_TEMPERATURE, N_INLINE_BAND, NPHOTAB)\n REAL, ALLOCATABLE, SAVE :: ECS_PHOT( :, :, :) ! N_TEMPERATURE, N_INLINE_BAND, NPHOTAB)\n REAL, ALLOCATABLE, SAVE :: EQY_PHOT( :, :, :) ! N_TEMPERATURE, N_INLINE_BAND, NPHOTAB)\n\n REAL, ALLOCATABLE, SAVE :: O3_CS_STRAT( :, :) ! N_TEMP_STRAT, N_INLINE_BAND)\n REAL, ALLOCATABLE, SAVE :: O3_QY_STRAT( :, :) ! N_TEMP_STRAT, N_INLINE_BAND)\n REAL, ALLOCATABLE, SAVE :: O3_ECS_STRAT( :, :) ! N_TEMP_STRAT, N_INLINE_BAND)\n REAL, ALLOCATABLE, SAVE :: O3_EQY_STRAT( :, :) ! N_TEMP_STRAT, N_INLINE_BAND)\n\n REAL, EXTERNAL :: OZONE_YIELD\n\n CHARACTER(8) :: TITLNEW\n CHARACTER(16) :: SAFE_NAME\n CHARACTER(60) :: VNAME\n\n LOGICAL, SAVE :: FIRSTCALL = .TRUE.\n\n\n INTERFACE\n SUBROUTINE XC_QY_TD_EFFECT(WC,NW,TLEV,DENS,NZ,\n & JLABEL,XC,QY,SQ,REPLACE)\n INTEGER, INTENT( IN ) :: NW\n REAL, INTENT( IN ) :: WC(:)\n INTEGER, INTENT( IN ) :: NZ\n REAL, INTENT( IN ) :: TLEV(:) ! AIR TEMPERATURE OVER MODEL LEVELS, DEG K\n REAL, INTENT( IN ) :: DENS(:) ! AIR NUMBER DENSITY OVER LEVEL, 1/CM3\n CHARACTER(16), INTENT( IN ) :: JLABEL ! NAME OF PHOTOLYSIS RATE\n REAL, INTENT( INOUT ) :: XC(:,:) ! CROSS-SECTION FROM FILE\n REAL, INTENT( INOUT ) :: QY(:,:) ! QUANTUM YIELD FROM FILE\n REAL, INTENT( OUT ) :: SQ(:,:) ! CROSS-SECTION TIMES QUANTUM YIELD OVER MODEL LEVELS\n LOGICAL, INTENT( OUT ) :: REPLACE ! FLAG TO USE SQ VALUES IN CALLING ROUTINE \n END SUBROUTINE XC_QY_TD_EFFECT\n SUBROUTINE INTAVG ( WLIN, CQIN, NWLIN, SPECTRA_TYPE,\n & NWLOUT, WLOUT1, WLOUT2, CQOUT )\n CHARACTER(1), INTENT( IN ) :: SPECTRA_TYPE ! spectra type\n INTEGER, INTENT( IN ) :: NWLOUT ! number of intervals ETin\n INTEGER, INTENT( IN ) :: NWLIN ! number of intervals CQin\n REAL, INTENT( IN ) :: WLIN ( : ) ! wl for CQin\n REAL, INTENT( IN ) :: CQIN( : ) ! quantity (CS or QY) as f(WLIN)\n REAL, INTENT( INOUT ) :: WLOUT1( : ) ! lower limit on wl int ETin\n REAL, INTENT( INOUT ) :: WLOUT2( : ) ! upper limit on wl int ETin\n REAL, INTENT( OUT ) :: CQOUT ( : ) ! quantity (CS or QY) as f(WLOUT)\n END SUBROUTINE INTAVG\n SUBROUTINE INTAVG_C ( WLIN, CQIN, NWLIN, SPECTRA_TYPE,\n & NWLOUT, WLOUT1, WLOUT2, CQOUT )\n CHARACTER(1), INTENT( IN ) :: SPECTRA_TYPE ! spectra type\n INTEGER, INTENT( IN ) :: NWLOUT ! number of intervals ETin\n INTEGER, INTENT( IN ) :: NWLIN ! number of intervals CQin\n REAL, INTENT( IN ) :: WLIN ( : ) ! wl for CQin\n REAL, INTENT( IN ) :: CQIN( : ) ! quantity (CS or QY) as f(WLIN)\n REAL, INTENT( INOUT ) :: WLOUT1( : ) ! lower limit on wl int ETin\n REAL, INTENT( INOUT ) :: WLOUT2( : ) ! upper limit on wl int ETin\n REAL, INTENT( OUT ) :: CQOUT ( : ) ! quantity (CS or QY) as f(WLOUT)\n END SUBROUTINE INTAVG_C\n END INTERFACE\n\n IF( FIRSTCALL )THEN\n\n FIRSTCALL = .FALSE.\n\n CALL INIT_BIN_DATA\n\n IF( CHANGE_WBIN )THEN\n\n\n ALLOCATE( FBIN( NB_NEW + 1 ) )\n ALLOCATE( ABIN( NB_NEW + 1 ) )\n ALLOCATE( CBIN( NB_NEW + 1 ) )\n ALLOCATE( DBIN( NB_NEW + 1 ) )\n ALLOCATE( EBIN( NB_NEW + 1 ) )\n\n ELSE\n \n ALLOCATE( FBIN( NBO ) )\n ALLOCATE( ABIN( NBO ) )\n ALLOCATE( CBIN( NBO ) )\n ALLOCATE( DBIN( NBO ) )\n ALLOCATE( EBIN( NBO ) )\n\n ENDIF\n\n\n ITTR = 0\n IF(N_TEMPERATURE .LT. 4)THEN\n TEMP_FINI = 298.0\n TEMP_STRT = 248.0\n ELSE\n TEMP_FINI = 310.0\n TEMP_STRT = 210.0\n ENDIF\n DELTA_TEMP = (TEMP_FINI-TEMP_STRT)/FLOAT(N_TEMPERATURE-1)\n \n WRITE(JTABLE_UNIT,'(A8,1X,I3)')'NTEMP = ', N_TEMPERATURE\n WRITE(JTABLE_UNIT,'(A)')'! I TEMP( I ) K'\n DO I = 1, N_TEMPERATURE ! 248, 298, 25\n ITTR = ITTR + 1\n TEMPERATURE(ITTR) = TEMP_STRT + DELTA_TEMP*FLOAT(I-1)\n WRITE(JTABLE_UNIT,'(I3,2X,F6.2)')ITTR, TEMPERATURE(ITTR)\n ENDDO\n TEMP_STRAT( 1 ) = 180.0\n ITTR = 1\n DO I = 2, N_TEMP_STRAT ! 248, 298, 25\n ITTR = ITTR + 1\n TEMP_STRAT(ITTR) = TEMP_STRAT( 1 ) + 40.0*FLOAT(I)\n! WRITE(JTABLE_UNIT,'(I3,2X,F6.2)')ITTR, TEMPERATURE(ITTR)\n ENDDO\n\n\n ALLOCATE( XCOUT(NSO), QYOUT(NSO))\n ALLOCATE( AABIN(NJO_NEW), CCBIN( NJO_NEW), DDBIN(NJO_NEW), \n % EEBIN(NJO_NEW), FFBIN(NJO_NEW))\n ALLOCATE( XCROSS(NZ, NJO_NEW), YIELD(NZ, NJO_NEW), XCROSS_EFF(NZ,NJO_NEW) ) \n\n WRITE(JTABLE_UNIT,5001)\n WRITE(JTABLE_UNIT,5006)\n\n WRITE(JTABLE_UNIT,4997)'N_INLINE_BAND = ', N_INLINE_BAND\n\n\n4997 FORMAT(A16, 1X, I3)\n4998 FORMAT(A20, 1X, 4(A, ', '), A)\n4999 FORMAT(2(A16, 1X, I3, ', '), A20, 1X, 4(A, ', '), A)\n\n WRITE(JTABLE_UNIT,5009)'! I','START_WL_BIN(nm)',\n & 'EFFECT_WL_BIN_(nm)', 'END_WL_BIN_(nm)','photon_flux(cm-2*s-1)'\n\n DO I = 1, N_INLINE_BAND ! 248, 298, 25 \n ITTR = NJO_NEW - N_INLINE_BAND + I \n WRITE(JTABLE_UNIT,5008)I,\n & STWL_NEW(ITTR+2), EFFECTIVE_LAMBDA(ITTR), ENDWL_NEW(ITTR+2),\n & SOLAR_PHOTONS( ITTR )\n ENDDO\n\n\n write(JTABLE_UNIT,2007)\n write(JTABLE_UNIT,2009)\n write(JTABLE_UNIT,3010)\n\n WRITE(JTABLE_UNIT,'(A7,7X,A8,3X,A4,3X,40(A5,I3,A1,5X))')'!PHOTAB',\n & 'QUANTITY','TEMP',('WBIN(',J,')', J = 1, N_INLINE_BAND)\n\n! WRITE(JTABLE_UNIT,6011)'!PHOTAB','QUANTITY','TEMP',\n! & (EFFECTIVE_LAMBDA(NJO_NEW - N_INLINE_BAND + J), J = 1, N_INLINE_BAND)\n\n\n ALLOCATE( CS_PHOT( N_TEMPERATURE, N_INLINE_BAND, NPHOTAB) )\n ALLOCATE( QY_PHOT( N_TEMPERATURE, N_INLINE_BAND, NPHOTAB) )\n ALLOCATE( ECS_PHOT( N_TEMPERATURE, N_INLINE_BAND, NPHOTAB) )\n ALLOCATE( EQY_PHOT( N_TEMPERATURE, N_INLINE_BAND, NPHOTAB) )\n\n ALLOCATE( O3_CS_STRAT( N_TEMP_STRAT, N_INLINE_BAND) ) \n ALLOCATE( O3_QY_STRAT( N_TEMP_STRAT, N_INLINE_BAND) )\n ALLOCATE( O3_ECS_STRAT( N_TEMP_STRAT, N_INLINE_BAND) )\n ALLOCATE( O3_EQY_STRAT( N_TEMP_STRAT, N_INLINE_BAND) )\n\n!...Compute Stratospheric Ozone Cross-Sections\n\n CALL INIT_CSQY_REFER_DATA()\n\n LOOP_STRAT: DO ITTR = 1, N_TEMP_STRAT\n\n TEMP = TEMP_STRAT(ITTR)\n\n DO J= 1, N_INLINE_BAND\n\n I = NJO_NEW - N_INLINE_BAND + J \n \n IF( TEMP_STRAT(ITTR) .LT. 293.0 .AND. TEMP_STRAT(ITTR) .GT. 218.0)THEN\n O3_CS_STRAT( ITTR, J) = (O3_XCROSS_293K(I)-O3_XCROSS_218K(I))\n & / 75.0\n & * (TEMP_STRAT(ITTR) - 218.0)\n & + O3_XCROSS_218K(I)\n ELSEIF( TEMP_STRAT(ITTR) .LE. 218.0)THEN\n O3_CS_STRAT( ITTR, J) = O3_XCROSS_218K(I)\n ELSEIF( TEMP_STRAT(ITTR) .GE. 293.0)THEN\n O3_CS_STRAT( ITTR, J) = O3_XCROSS_293K(I)\n END IF\n\n O3_QY_STRAT( ITTR, J) = OZONE_YIELD(WC(I),TEMP_STRAT(ITTR)) \n O3_EQY_STRAT( ITTR, J) = OZONE_YIELD(WC(I),TEMP_STRAT(ITTR))\n \n WRITE(6,99959)I,EFFECTIVE_LAMBDA(I),O3_CS_STRAT( ITTR, J),O3_QY_STRAT( ITTR, J)\n99959 FORMAT(\"O3_STRAT: \",I2,1X,\"LAMDBA: \",F7.2,1X,3(1PE12.4,1X)) \n\n! O3_CS_STRAT( ITTR, J) = 6.5E-19\n! O3_QY_STRAT( ITTR, J) = 1.0 \n! O3_ECS_STRAT( ITTR, J) = 6.5E-19\n! O3_EQY_STRAT( ITTR, J) = 1.0\n\n ENDDO\n\n!note assumes ozone dissociation cross-sections and yield do not depend on number density\n! on 08/02/13 this assumption is correct for the xc_yq_td_code.F code\n\n! CALL XC_QY_TD_EFFECT(EFFECTIVE_LAMBDA, NJO_NEW,\n! & AIR_TEMP,NUM_DENS,NZ,'O3O1D-06 ',\n! & XCROSS,YIELD,XCROSS_EFF,REPLACE)\n!\n\n! IF( REPLACE )THEN\n! print*,'using xcqy file for O3 Stratosphere'\n! DO J= 1, N_INLINE_BAND\n! O3_CS_STRAT( ITTR, J) = XCROSS(NZ, NJO_NEW - N_INLINE_BAND + J )\n! O3_QY_STRAT( ITTR, J) = YIELD(NZ, NJO_NEW - N_INLINE_BAND + J ) \n! O3_EQY_STRAT( ITTR, J) = YIELD(NZ, NJO_NEW - N_INLINE_BAND + J ) \n! ENDDO\n! ELSE\n! print*,'using xcqy file for O3 Stratosphere'\n! ENDIF\n\n ENDDO LOOP_STRAT\n\n IF( NPHOTAB .EQ. 0 )THEN\n WRITE(JTABLE_UNIT,5010)\n WRITE(JTABLE_UNIT,'(A14,1X,I3)')'NTEMP_STRAT = ', N_TEMP_STRAT\n WRITE(JTABLE_UNIT,'(A7,7X,A8,3X,A4,3X,40(A5,I3,A1,5X))')'! ',\n & 'QUANTITY','TEMP',('WBIN(',J,')', J = 1, N_INLINE_BAND)\n DO I = 1, N_TEMP_STRAT\n WRITE(JTABLE_UNIT,'(A16,1X,A5,1X,F8.3,1X,40(1PE12.6,2X))')'O3_STRAT ',\n & 'CS',TEMP_STRAT(I),(O3_CS_STRAT( I, J), J = 1, N_INLINE_BAND)\n ENDDO\n RETURN\n END IF\n\n\n END IF ! FIRSTCALL\n\n\n IRXN = -1\n\n DO I = 1, NPHOTAB\n IF( SPECTRA_NAME .EQ. PHOTAB(I) )THEN\n IRXN = I\n EXIT\n ENDIF\n ENDDO\n IF( IRXN .LE. 0 )THEN\n WRITE(6,*)'ERROR IN CREATE_MODULE: SPECTRA_NAME NOT in PHOTAB array '\n STOP\n ENDIF\n\n SAFE_NAME = SPECTRA_NAME\n J = LEN(SAFE_NAME)\n DO I = 1, LEN(SAFE_NAME)\n IF( SAFE_NAME(I:I) .EQ. '-' ) SAFE_NAME(I:I) = '_'\n ENDDO \n\n DO I = 1, NPHOT_DONE\n IF( SPECTRA_NAME .EQ. PHOT_DONE(I) )THEN\n WRITE(6,*)TRIM(SPECTRA_NAME),' already processed by ',TRIM(PHOT_DONE(I))\n RETURN\n ENDIF\n ENDDO\n NPHOT_DONE = NPHOT_DONE + 1\n PHOT_DONE(NPHOT_DONE) = PHOTAB(IRXN)\n\n\n CALL INTAVG_C(WLIN, CS_IN, NWLIN, SPECTRA_TYPE, NSO, WL, WU, XCOUT)\n CALL INTAVG_C(WLIN, QY_IN, NWLIN, SPECTRA_TYPE, NSO, WL, WU, QYOUT)\n\nc---now ready to do any flux-weighted means over the bins\n FBIN(:) = 0.d0\n ABIN(:) = 0.0d0 \n CBIN(:) = 0.0d0 \n DBIN(:) = 0.0d0 \n EBIN(:) = 0.0d0 \n\n\n do J=K1,K2\n K = J - K1 + 1\n\n I = IBINJ_NEW(J)\n if (I .gt. 0) then\n WW = W(J)\n FBIN(I) = FBIN(I) + F(J)\n ABIN(I) = ABIN(I) + F(J)*DBLE(XCOUT(J))\n CBIN(I) = CBIN(I) + F(J)*DBLE(QYOUT(J))\n DBIN(I) = DBIN(I) + F(J)*DBLE(XCOUT(J))*DBLE(QYOUT(J))\n EBIN(I) = DBIN(I)\n! ABIN(I) = ABIN(I) + F(J)*XNEW\n endif\n enddo\n\n do I=1,NB_NEW\n if (ABIN(I) .gt. 0.d0)EBIN(I) = EBIN(I)/ABIN(I)\n if (FBIN(I) .gt. 0.d0) then\n ABIN(I) = ABIN(I)/FBIN(I)\n CBIN(I) = CBIN(I)/FBIN(I)\n DBIN(I) = DBIN(I)/FBIN(I)\n endif\n enddo\n\n print*,'completed first average in create module '\n\n!---combine fast-JX bins: \n!--- non-SR bands (16:NB) are assigned a single JX bin\n!--- SR bands are split (by Opacity Distrib Fn) into a range of JX bins\n FFBIN(:) = 0.d0\n AABIN(:) = 0.d0\n CCBIN(:) = 0.d0\n DDBIN(:) = 0.d0\n EEBIN(:) = 0.d0\n XCROSS(:,:) = 0.d0\n YIELD(:,:) = 0.d0\n XCROSS_EFF(:,:) = 0.d0\n\n\n\n FFBIN(:) = 0.d0\n do I=16,NB_NEW\n! J = IJX(I)\n! J = IJX_CALC(I)\n J = IJX_BIN_NEW( I )\n FFBIN(J) = FFBIN(J) + FBIN(I)\n AABIN(J) = AABIN(J) + FBIN(I)*ABIN(I)\n CCBIN(J) = CCBIN(J) + FBIN(I)*CBIN(I)\n DDBIN(J) = DDBIN(J) + FBIN(I)*DBIN(I)\n EEBIN(J) = EEBIN(J) + FBIN(I)*ABIN(I)*EBIN(I)\n enddo\n do I=1,15\n do J=1,NJO_NEW\n FFBIN(J) = FFBIN(J) + FBIN(I)*SRB_NEW(I,J)\n AABIN(J) = AABIN(J) + FBIN(I)*ABIN(I)*SRB_NEW(I,J)\n CCBIN(J) = CCBIN(J) + FBIN(I)*CBIN(I)*SRB_NEW(I,J)\n DDBIN(J) = DDBIN(J) + FBIN(I)*DBIN(I)*SRB_NEW(I,J)\n EEBIN(J) = EEBIN(J) + FBIN(I)*ABIN(I)*EBIN(I)*SRB_NEW(I,J)\n enddo\n enddo\n\n\n \n\n NWL_AVE = NJO_NEW\n WLL_AVE = 0.0\n WLU_AVE = 0.0\n CS_AVE = 0.0\n QY_AVE = 0.0\n\n\n\n do J = 1, 8\n! WLL_AVE( J ) = STR_WV_FASTJX( J )\n! WLU_AVE( J ) = END_WV_FASTJX( J )\n WLL_AVE( J ) = STWL_NEW( J )\n WLU_AVE( J ) = ENDWL_NEW( J )\n enddo \n\n\n\n do J = 9, NJO_NEW\n! WLL_AVE( J ) = STR_WV_FASTJX( J + 2 )\n! WLU_AVE( J ) = END_WV_FASTJX( J + 2 )\n WLL_AVE( J ) = STWL_NEW( J + 2 )\n WLU_AVE( J ) = ENDWL_NEW( J + 2)\n enddo \n\n\n do J=1,NJO_NEW\n if (AABIN(J) .gt. 0.d0) EEBIN(J) = EEBIN(J)/AABIN(J)\n if (FFBIN(J) .gt. 0.d0)THEN\n AABIN(J) = AABIN(J)/FFBIN(J)\n CCBIN(J) = CCBIN(J)/FFBIN(J)\n DDBIN(J) = DDBIN(J)/FFBIN(J)\n CS_AVE( J ) = AABIN(J)\n QY_AVE( J ) = CCBIN(J)\n endif\n enddo\n\n print*,'completed second average in create module '\n\n\n DO ITTR = 1, N_TEMPERATURE ! note that NZ is 1 \n\n XCROSS(ITTR, 1:NJO_NEW) = CS_AVE(1:NJO_NEW)\n YIELD(ITTR, 1:NJO_NEW) = EEBIN(1:NJO_NEW)\n \n! NUM_DENS( ITTR ) = DENS0 ( DENS0 * T298K )/ TEMPERATURE(ITTR)\n\n DO J= 1, N_INLINE_BAND\n CS_PHOT( ITTR, J, IRXN) = CS_AVE( NJO_NEW - N_INLINE_BAND + J )\n QY_PHOT( ITTR, J, IRXN) = QY_AVE( NJO_NEW - N_INLINE_BAND + J ) \n ECS_PHOT( ITTR, J, IRXN) = DDBIN( NJO_NEW - N_INLINE_BAND + J )\n EQY_PHOT( ITTR, J, IRXN) = EEBIN( NJO_NEW - N_INLINE_BAND + J )\n ENDDO\n ENDDO\n\n REPLACE = .FALSE.\n\n print*,'calling XC_QY_TD_EFFECT for ',SPECTRA_NAME\n\n\n CALL XC_QY_TD_EFFECT(EFFECTIVE_LAMBDA, NJO_NEW,\n & TEMPERATURE,NUM_DENS,N_TEMPERATURE,SPECTRA_NAME,\n & XCROSS,YIELD,XCROSS_EFF,REPLACE)\n\n\n LOOP_TROP: DO ITTR = 1, N_TEMPERATURE\n\n TEMP = TEMPERATURE(ITTR)\n \n IF( REPLACE )THEN\n \n \n WRITE(6,99951)TRIM( SPECTRA_NAME ),TEMP,NUM_DENS(ITTR)\n99951 FORMAT('called XC_QY_TD_EFFECT for ',A,' at TEMP = ',f7.2,\n & ' and # DENS = ', 1PE12.4)\n \n DO J= 1, N_INLINE_BAND\n CS_PHOT( ITTR, J, IRXN) = XCROSS(ITTR, NJO_NEW - N_INLINE_BAND + J )\n QY_PHOT( ITTR, J, IRXN) = YIELD( ITTR, NJO_NEW - N_INLINE_BAND + J ) \n EQY_PHOT( ITTR, J, IRXN) = YIELD( ITTR, NJO_NEW - N_INLINE_BAND + J ) \n ENDDO\n ELSE\n print*,'using xcqy file for ',SPECTRA_NAME\n ENDIF\n\n ENDDO LOOP_TROP\n\n TEMP = 298.0\n write(6,'(A16,1X,A5,1X,F8.3,1X,40(1PE12.6,2X))')\n & TRIM(SAFE_NAME), 'CS0', TEMP, \n & (AABIN(NJO_NEW - N_INLINE_BAND + J),J= 1, N_INLINE_BAND)\n\n\n DO I = 1, N_TEMPERATURE\n\n WRITE(JTABLE_UNIT,'(A16,1X,A5,1X,F8.3,1X,40(1PE12.6,2X))')SPECTRA_NAME,\n & 'CS',TEMPERATURE(I),(CS_PHOT( I, J, IRXN), J = 1, N_INLINE_BAND)\n WRITE(JTABLE_UNIT,'(A16,1X,A5,1X,F8.3,1X,40(1PE12.6,2X))')SPECTRA_NAME,\n & 'EQY',TEMPERATURE(I),(EQY_PHOT( I, J, IRXN), J = 1, N_INLINE_BAND)\n\n WRITE(6,'(A16,1X,A5,1X,F8.3,1X,40(1PE12.6,2X))')SPECTRA_NAME,\n & 'CS',TEMPERATURE(I),(CS_PHOT( I, J, IRXN), J = 1, N_INLINE_BAND)\n\n\n ENDDO\n\n print*, ' Wrote CSQY DATA for ',SPECTRA_NAME\n\n IF( SPECTRA_NAME .EQ. PHOTAB( MAX( NPHOTAB,1 ) ) )THEN\n\n! write out the ozone cross-section for stratospheric temperatures\n\n WRITE(JTABLE_UNIT,5010)\n WRITE(JTABLE_UNIT,'(A14,1X,I3)')'NTEMP_STRAT = ', N_TEMP_STRAT\n WRITE(JTABLE_UNIT,'(A7,7X,A8,3X,A4,3X,40(A5,I3,A1,5X))')'! ',\n & 'QUANTITY','TEMP',('WBIN(',J,')', J = 1, N_INLINE_BAND)\n DO I = 1, N_TEMP_STRAT\n WRITE(JTABLE_UNIT,'(A16,1X,A5,1X,F8.3,1X,40(1PE12.6,2X))')'O3_STRAT ',\n & 'CS',TEMP_STRAT(I),(O3_CS_STRAT( I, J), J = 1, N_INLINE_BAND)\n ENDDO\n\n END IF\n\n RETURN\n\n\n1001 FORMAT(A16,22X,F5.1,2X,F5.1)\n1003 FORMAT(61X,F9.1)\n2007 format('!... CS = absorption cross sections averaged over UCI Solar Flux')\n2009 format('!... QY = quantum yields averaged over UCI Solar Flux')\n3010 format('!... EQY = eCS*eQY/CS averaged over Solar Flux and 77 bins in UCI Model')\n5001 FORMAT('! Wavelength and Photolysis Rate Parameters for CMAQ In-Line Photolysis',\n & /, '! calculation . The values are determined by averaging technique over the below',\n & /, '! number of wavelength bins. The technique employs an approach used by the FASTJX',\n & /, '! versions 6 and 7.',\n & /, '!References:',\n & /, '! 1) Bian, H. S. and Prather, M. J.: Fast-J2: accurate simulation of stratospheric',\n & /, '! photolysis in global chemical models, J. Atmos. Chem., 41, 281-296', \n & /, ' doi:10.1023/A:1014980619462, 2002.',\n & /, '! 2) Hsu, J. and Prather, M. J.: Stratospheric variability and tropospheric ozone,',\n & /, '! J. Geophys. Res., 114, D06102, doi:10.1029/2008JD010942, 2009.',\n & /, '! 3) Prather, M. J.: Fast-JX versions and utilities, available at:',\n & /, '! http://www.ess.uci.edu/researchgrp/prather/scholar_software/fast-jx',\n & /, '! (last accessed: 24 January 2014), 2014.',\n & /, '! Wave bands and Solar Flux')\n5002 FORMAT('! The former is based on HU & Stamnes (1993), An accurate parameterization of')\n5003 FORMAT('! the radiative properties of water clouds suitable for use in climate models,')\n5004 FORMAT('! J. of Climate, vol. 6, pp. 728-742. The values were calculated with an')\n5005 FORMAT('! equivalent radius of 10 micrometers. ')\n6006 FORMAT('! Note: Cloud extinction/LWC is in [1/m] over [g/m **3] where LWC is in g/m**3',\n & /, '! ')\n5006 FORMAT('! ')\n5007 FORMAT('! Complex refractive indices for aerosol components are based on ',\n & /,'! 1) Hess, M. P. Koepke, and I. Schult, Optical properties of aerosols and',\n & /,'! clouds: The software package OPAC, Bulletin of the American Meteorological', \n & /,'! Society, Vol 79, No 5, pp 831 - 844, May 1998. Available at',\n & /,'! www.lrz-muenchen.de/~uh234an/www/radaer/opac.htm',\n & /,'! 2) Segelstein, D., 1981: The Complex Refractive Index of Water, M.S. Thesis,',\n & /,'! University of Missouri--Kansas City, MO' )\n!5008 FORMAT(I3,1X,3(F8.3,2X),2X,ES12.4,2X,2(F8.3,2X),ES12.4,2X,8(F8.3,1X,ES12.4,1X))\n5008 FORMAT(I3,', ',3(F21.3,', '),ES21.4,', ',2(F21.3,', '),ES21.4,5(', ',F21.3,', ',ES21.4))\n!5009 FORMAT(A3, 20(', ',A))\n5009 FORMAT(A3,', ',3(A21,', '),A21,', ',2(A21,', '),A21,5(', ',A21,', ',A21))\n5010 FORMAT('! Ozone Cross-Section for Stratospheric Opacity based on Table 4-5 in',\n & /,'! Chemical Kinetics and Photochemical Data for Use in Atmospheric',\n & /,'! Studies Evaluation Number 15. Sander et. al: NASA-JPL 2006 ')\n5011 FORMAT('! Surface Albedo with wavelength dependence for 20 MODIS land use types.',\n & /,'! Correction factors are included for solar zenith angle and season.',\n & /,'! Note that an adjustment is used better match spectral estimates.',\n & /,'! REFERENCE: CERES/SARB Surface Properties database, May 2006',\n & /,'! http://www-surf.larc.nasa.gov/surf/pages/explan.html.')\n5012 FORMAT(I3,1X,A30,1X,3(F8.3,2X))\n5013 FORMAT(A21,1X,I3)\n5014 FORMAT('! Following two indices denote the categories assigned as generic',\n & /,'! land and water surfaces. The surfaces are used as the default',\n & /,'! land characterization scheme if scheme used is not known.')\n5015 FORMAT('! Following maps the above albedo data to three land characterization',\n & /,'! schemes commonly used in CMAQ applications.',\n & /,'! ')\n5016 FORMAT(I3,1X,A60,1X,I3,2X,3(F8.3,2X))\n6011 FORMAT(A7,7X,A8,1X,A10,40(1X,F8.1,\" nm \"))\n\n END SUBROUTINE WRT_CSQY_DATA_ONLY\n" }, { "path": "UTIL/inline_phot_preproc/src/wrt_optics_data.F", "content": " SUBROUTINE WRT_OPTICS_DATA( )\n\n USE GET_ENV_VARS \n USE BIN_DATA\n USE CSQY_REFER_DATA\n USE ALBEDO_REFER_DATA\n\n IMPLICIT NONE \n \n!Purpose: compute then write suface albedo, cloud water and ice optical data to file\n! as a CMAQ input\n\n!..........ARGUMENTS and their descriptions: NONE\n\n\n!...........LOCAL VARIABLES and their descriptions:\n \n CHARACTER(16) :: PNAME = 'WRT_OPTICS_DATA' ! program name\n CHARACTER(80) :: MSG = ' ' ! message\n\n!...........PARAMETERS and their descriptions\n REAL, PARAMETER :: CLOUD_RADIUS_LIQUID = 10.0 ! mean cloud droplet radii, um\n REAL :: PARTICLE_SIZE ! hydrometer size for calculating optical properties\n\n INTEGER, PARAMETER :: MAX_LEN_WORD = 16\n INTEGER, PARAMETER :: NRADIUS_LIQUID = 58 ! number of liquid droplets to compute data\n REAL, PARAMETER :: LIQUID_RADIUS_INT = 2.5 ! starting liquid droplet radii, um\n REAL, PARAMETER :: LIQUID_RADIUS_INC = 1.0 ! increment for liquid droplet radii, um\n \n REAL, PARAMETER :: MAX_COALB = 9.999999E-1 ! Maximum value for single scattering coalbedo\n\n\n INTEGER, PARAMETER :: NDIAM_ICE = 46 ! number of ice droplets to compute data \n REAL, PARAMETER :: ICE_DIAM_INT = 5.0 ! starting ice droplet diameter, um\n REAL, PARAMETER :: ICE_DIAM_INC = 3.0 ! increment for ice droplet diameter, um\n\n INTEGER, SAVE :: NAERO_REFRACT = 5 \n INTEGER, SAVE :: MAX_NAERO_REFRACT = 5 \n\n!Local:\n\n INTEGER :: I, J, K ! index counters\n INTEGER :: ITTR ! array index\n INTEGER :: ENV_STAT \n\n\n CHARACTER(255) :: EQNAME\n CHARACTER(600) :: ODATA_NAME\n\n LOGICAL, SAVE :: FIRSTCALL = .TRUE.\n\n REAL, ALLOCATABLE, SAVE :: WC_EXT( :, : )\n REAL, ALLOCATABLE, SAVE :: WC_ASF( :, : )\n REAL, ALLOCATABLE, SAVE :: WC_SSA( :, : )\n\n REAL, ALLOCATABLE, SAVE :: ICE_EXT( :, : )\n REAL, ALLOCATABLE, SAVE :: ICE_ASY( :, : )\n REAL, ALLOCATABLE, SAVE :: ICE_SSA( :, : )\n REAL, ALLOCATABLE, SAVE :: ICE_DEL( :, : ) ! Delta function transmission \n\n\n LOGICAL, SAVE :: WRITE_AE_REFRACT = .FALSE. ! .FALSE.\n\n CHARACTER( 5 ) :: WVL_AE_REFRAC\n CHARACTER( 13 ) :: AERO_INDEX = 'WVL_AE_REFRAC'\n CHARACTER( 32 ) :: ENV_VAR_NAME \n CHARACTER( 256 ) :: ENV_VAR_LIST \n \n CHARACTER( MAX_LEN_WORD ), ALLOCATABLE, SAVE :: AERO_REFRACT_INDX( : ) \n! CHARACTER( MAX_LEN_WORD ) :: AERO_REFRACT_INDX( NAERO_REFRACT ) \n! DATA AERO_REFRACT_INDX / \"WATER\", \"SOLUTE\", \"DUST\", \"SEASALT\", \"SOOT\" /\n \n INTEGER :: NVARS\n CHARACTER( MAX_LEN_WORD ), ALLOCATABLE :: VAR_LIST( : )\n\n REAL, ALLOCATABLE :: AERO_IMAG_REFRACT( :, : )\n REAL, ALLOCATABLE :: AERO_REAL_REFRACT( :, : )\n\n REAL, ALLOCATABLE, SAVE :: MODIS_ALBEDO( :, :) ! NJO, NUMB_LANDUSE_MODIS )\n\n INTERFACE\n SUBROUTINE OPTICS_WATER_CLOUD(CLOUD_RADIUS_LIQUID, WC_EXT, WC_ASF, WC_SSA)\n REAL, INTENT( IN ) :: CLOUD_RADIUS_LIQUID\n REAL, INTENT( OUT ) :: WC_EXT( : )\n REAL, INTENT( OUT ) :: WC_ASF( : )\n REAL, INTENT( OUT ) :: WC_SSA( : )\n END SUBROUTINE OPTICS_WATER_CLOUD\n SUBROUTINE OPTICS_ICE_CLOUD(CLOUD_DIAMETER_ICE, ICE_EXT, ICE_ASY, ICE_SSA, ICE_DEL)\n REAL, INTENT( IN ) :: CLOUD_DIAMETER_ICE ! effective ice droplet size or diameter, um\n REAL, INTENT( OUT ) :: ICE_EXT( : ) ! (cloud extinction coef)/IWC, 1/m*/(g/m**3)\n REAL, INTENT( OUT ) :: ICE_ASY( : ) ! cloud asymmetry factor\n REAL, INTENT( OUT ) :: ICE_SSA( : ) ! cloud coalbedo\n REAL, INTENT( OUT ) :: ICE_DEL( : ) ! Delta function transmission\n END SUBROUTINE OPTICS_ICE_CLOUD\n SUBROUTINE AERO_REFRACT_INDEX ( NAERO_REFRACT, AERO_REFRACT_INDX, AERO_REAL_REFRACT,\n & AERO_IMAG_REFRACT )\n INTEGER, INTENT( IN ) :: NAERO_REFRACT ! number of refractive indices\n CHARACTER( 16 ), INTENT( IN ) :: AERO_REFRACT_INDX( : ) ! names of refractive indices\n REAL, INTENT( OUT ) :: AERO_IMAG_REFRACT( :, : ) ! imaginary part of index [Dimensionaless]\n REAL, INTENT( OUT ) :: AERO_REAL_REFRACT( :, : ) ! real part of index [Dimensionaless]\n END SUBROUTINE AERO_REFRACT_INDEX\n SUBROUTINE SPECTRAL_REFLECT(MODIS_ALBEDO)\n REAL, INTENT( OUT ) :: MODIS_ALBEDO( :, : )\n END SUBROUTINE SPECTRAL_REFLECT\n SUBROUTINE CONVERT_CASE ( BUFFER, UPPER )\n CHARACTER(LEN= *), INTENT( INOUT ) :: BUFFER\n LOGICAL, INTENT( IN ) :: UPPER\n END SUBROUTINE CONVERT_CASE\n END INTERFACE\n\n\n CALL INIT_BIN_DATA\n \n! EQNAME = 'OUT_DIR'\n\n ODATA_NAME = TRIM( OUT_DIR )\n & // '/' // 'PHOT_OPTICS.dat'\n \n OPEN(ODATA_UNIT, FILE = ODATA_NAME, STATUS = 'UNKNOWN')\n \n IF( FIRSTCALL )THEN\n FIRSTCALL = .FALSE.\n \n ALLOCATE( WC_EXT( NJO_NEW, NRADIUS_LIQUID ),\n & WC_ASF( NJO_NEW, NRADIUS_LIQUID ),\n & WC_SSA( NJO_NEW, NRADIUS_LIQUID ) )\n\n ALLOCATE( ICE_EXT( NJO_NEW, NRADIUS_LIQUID ), \n & ICE_ASY( NJO_NEW, NRADIUS_LIQUID ), \n & ICE_SSA( NJO_NEW, NRADIUS_LIQUID ),\n & ICE_DEL( NJO_NEW, NRADIUS_LIQUID ))\n \n ENV_VAR_NAME = 'MAX_NUMB_REFRACT'\n MAX_NAERO_REFRACT = GET_ENV_INT( ENV_VAR_NAME, ' ', MAX_NAERO_REFRACT, ENV_STAT)\n PRINT*,'MAX_NUMB_REFRACT = ', MAX_NAERO_REFRACT\n \n ENV_VAR_LIST = 'AE_REFRAC_LIST'\n ALLOCATE( VAR_LIST( MAX_NAERO_REFRACT ) )\n CALL GET_ENVLIST ( ENV_VAR_LIST, NVARS, VAR_LIST, ENV_STAT )\n IF( NVARS .GT. 0 )THEN\n NAERO_REFRACT = NVARS\n ALLOCATE( AERO_REFRACT_INDX( NAERO_REFRACT ) )\n DO I = 1, NVARS\n AERO_REFRACT_INDX( I ) = VAR_LIST( I )\n END DO\n END IF\n ALLOCATE( AERO_IMAG_REFRACT( NJO_NEW, NAERO_REFRACT ) )\n ALLOCATE( AERO_REAL_REFRACT( NJO_NEW, NAERO_REFRACT ) )\n END IF\n \n! determine whether to write out spectral values of refractive index for aerosol species\n\n CALL VALUE_NAME ( AERO_INDEX, WVL_AE_REFRAC)\n\n CALL CONVERT_CASE( WVL_AE_REFRAC, .TRUE.)\n\n IF( WVL_AE_REFRAC(1:1) .EQ. 'T' .OR. WVL_AE_REFRAC(1:1) .EQ. 'Y' )THEN\n WRITE_AE_REFRACT = .TRUE.\n WRITE(6,'(A)')'Environment Variable WVL_AE_REFRAC set to '\n & // TRIM( WVL_AE_REFRAC ) // ' and adding aerosol refractive indice to'\n & // ' output '\n ELSE IF( WVL_AE_REFRAC(1:1) .EQ. 'F' .OR. WVL_AE_REFRAC(1:1) .EQ. 'N' )THEN\n WRITE_AE_REFRACT = .FALSE.\n WRITE(6,'(A)')'Environment Variable WVL_AE_REFRAC set to '\n & // TRIM( WVL_AE_REFRAC ) // ' and not writing aerosol refractive indice to'\n & // ' output '\n ELSE\n WRITE(6,' (A)')'Environment Variable WVL_AE_REFRAC set to '\n & // TRIM( WVL_AE_REFRAC ) // ' and must equal T, Y, F, or N.'\n & // ' Using default value of F'\n WRITE_AE_REFRACT = .FALSE.\n END IF\n\n\n WRITE(ODATA_UNIT,4997)'N_INLINE_BAND = ', N_INLINE_BAND\n\n\n4997 FORMAT(A16, 1X, I3)\n4998 FORMAT(A20, 1X, 20(A, ', '), A)\n4999 FORMAT(2(A16, 1X, I3, ', '), A20, 1X, 4(A, ', '), A)\n\n WRITE(ODATA_UNIT,5001)\n\n CALL OPTICS_WATER_CLOUD(CLOUD_RADIUS_LIQUID, WC_EXT(:,1), WC_ASF(:,1), WC_SSA(:,1))\n\n WRITE(ODATA_UNIT,5009)'! I','START_WL_BIN(nm)',\n & 'EFFECT_WL_BIN_(nm)', 'END_WL_BIN_(nm)','photon_flux(cm-2*s-1)',\n & 'CLD_EXT/LWC_(m2/g)','CLD_ASYM_FACT','CLD_COALBEDO'\n \n DO I = 1, N_INLINE_BAND\n ITTR = NJO_NEW - N_INLINE_BAND + I \n WRITE(ODATA_UNIT,5008)I,\n & STWL_NEW(ITTR+2), EFFECTIVE_LAMBDA(ITTR), ENDWL_NEW(ITTR+2),\n & SOLAR_PHOTONS( ITTR ), WC_EXT(ITTR, 1), WC_ASF(ITTR, 1), WC_SSA(ITTR, 1)\n ENDDO\n\n IF( WRITE_AE_REFRACT )THEN\n \n\n AERO_IMAG_REFRACT = 0.0\n AERO_REAL_REFRACT = 0.0\n\n CAll AERO_REFRACT_INDEX ( NAERO_REFRACT, AERO_REFRACT_INDX, AERO_REAL_REFRACT,\n & AERO_IMAG_REFRACT )\n\n WRITE(ODATA_UNIT,5007)\n WRITE(ODATA_UNIT,4999)'NAERO_REFRACT = ', NAERO_REFRACT\n WRITE(ODATA_UNIT,4998)'NAMES_REFRACT_INDX = ', \n & ( TRIM( AERO_REFRACT_INDX( I ) ), I = 1, NAERO_REFRACT )\n \n WRITE(ODATA_UNIT,6009)'! I','STRT_WVL(nm)',\n & 'EFFECT_WVL(nm)', 'END_WVL(nm)',\n & ( 'NR_' // TRIM( AERO_REFRACT_INDX( I ) ), 'NI_' // TRIM( AERO_REFRACT_INDX ( I ) ),\n & I = 1, NAERO_REFRACT )\n\n DO I = 1, N_INLINE_BAND\n ITTR = NJO_NEW - N_INLINE_BAND + I \n WRITE(ODATA_UNIT,6008)I,\n & STWL_NEW(ITTR+2), EFFECTIVE_LAMBDA(ITTR), ENDWL_NEW(ITTR+2),\n & ( AERO_REAL_REFRACT( ITTR, J ), AERO_IMAG_REFRACT( ITTR, J ), \n & J = 1, NAERO_REFRACT )\n ENDDO\n \n END IF\n\n WRITE(ODATA_UNIT,6001)\n WRITE(ODATA_UNIT,5002)\n WRITE(ODATA_UNIT,5003)\n WRITE(ODATA_UNIT,5004)\n WRITE(ODATA_UNIT,5005)\n WRITE(ODATA_UNIT,5006)\n\n WRITE(ODATA_UNIT,4997)'NRADIUS_LIQUID = ', NRADIUS_LIQUID\n\n WRITE(ODATA_UNIT,6011)'QUANTITY','Radius, um',\n & (EFFECTIVE_LAMBDA(NJO_NEW - N_INLINE_BAND + J), J = 1, N_INLINE_BAND)\n\n6011 FORMAT(A8,1X,A10,40(1X,F8.1,\" nm \"))\n\n! compute and write out table for liquid droplet properties\n\n\n PARTICLE_SIZE = LIQUID_RADIUS_INT\n DO J = 1, NRADIUS_LIQUID\n CALL OPTICS_WATER_CLOUD(PARTICLE_SIZE, WC_EXT(:,J), WC_ASF(:,J), WC_SSA(:,J))\n PARTICLE_SIZE = PARTICLE_SIZE + LIQUID_RADIUS_INC\n END DO\n\n PARTICLE_SIZE = LIQUID_RADIUS_INT\n DO J = 1, NRADIUS_LIQUID\n\n WRITE(ODATA_UNIT,'(A8,1X,F10.3)',ADVANCE = 'NO')'LIQ_EXT',PARTICLE_SIZE\n DO I = 1, N_INLINE_BAND\n ITTR = NJO_NEW - N_INLINE_BAND + I \n WRITE(ODATA_UNIT,'(1X,1PE12.4)',ADVANCE = 'NO')WC_EXT(ITTR, J)\n ENDDO\n PARTICLE_SIZE = PARTICLE_SIZE + LIQUID_RADIUS_INC\n WRITE(ODATA_UNIT,*)\n \n END DO \n\n WRITE(ODATA_UNIT,6011)'QUANTITY','Radius, um',\n & (EFFECTIVE_LAMBDA(NJO_NEW - N_INLINE_BAND + J), J = 1, N_INLINE_BAND)\n\n PARTICLE_SIZE = LIQUID_RADIUS_INT\n DO J = 1, NRADIUS_LIQUID\n\n WRITE(ODATA_UNIT,'(A8,1X,F10.3)',ADVANCE = 'NO')'LIQ_ASY',PARTICLE_SIZE\n DO I = 1, N_INLINE_BAND\n ITTR = NJO_NEW - N_INLINE_BAND + I \n WRITE(ODATA_UNIT,'(1X,1PE12.4)',ADVANCE = 'NO')WC_ASF(ITTR, J)\n ENDDO\n PARTICLE_SIZE = PARTICLE_SIZE + LIQUID_RADIUS_INC\n WRITE(ODATA_UNIT,*)\n \n END DO \n\n WRITE(ODATA_UNIT,6011)'QUANTITY','Radius, um',\n & (EFFECTIVE_LAMBDA(NJO_NEW - N_INLINE_BAND + J), J = 1, N_INLINE_BAND)\n\n PARTICLE_SIZE = LIQUID_RADIUS_INT\n DO J = 1, NRADIUS_LIQUID\n\n WRITE(ODATA_UNIT,'(A8,1X,F10.3)',ADVANCE = 'NO')'LIQ_COA',PARTICLE_SIZE\n DO I = 1, N_INLINE_BAND\n ITTR = NJO_NEW - N_INLINE_BAND + I \n WRITE(ODATA_UNIT,'(1X,1PE12.4)',ADVANCE = 'NO')\n & MAX(0.0, MIN(MAX_COALB, WC_SSA(ITTR, J)))\n ENDDO\n PARTICLE_SIZE = PARTICLE_SIZE + LIQUID_RADIUS_INC\n WRITE(ODATA_UNIT,*)\n \n END DO \n \n! compute and write out tables for ice droplet properties\n \n WRITE(ODATA_UNIT,7001)\n WRITE(ODATA_UNIT,7002)\n WRITE(ODATA_UNIT,7003)\n WRITE(ODATA_UNIT,7004)\n WRITE(ODATA_UNIT,7005)\n WRITE(ODATA_UNIT,7006)\n\n WRITE(ODATA_UNIT,4997)'NDIAM_ICE = ', NDIAM_ICE\n\n PARTICLE_SIZE = ICE_DIAM_INT\n DO J = 1, NDIAM_ICE\n CALL OPTICS_ICE_CLOUD(PARTICLE_SIZE, ICE_EXT(:,J), ICE_ASY(:,J), ICE_SSA(:,J),\n & ICE_DEL(:,J))\n PARTICLE_SIZE = PARTICLE_SIZE + ICE_DIAM_INC\n END DO\n\n WRITE(ODATA_UNIT,6011)'QUANTITY','EDIAM, um',\n & (EFFECTIVE_LAMBDA(NJO_NEW - N_INLINE_BAND + J), J = 1, N_INLINE_BAND)\n\n PARTICLE_SIZE = ICE_DIAM_INT\n DO J = 1, NDIAM_ICE\n\n WRITE(ODATA_UNIT,'(A8,1X,F10.3)',ADVANCE = 'NO')'ICE_EXT',PARTICLE_SIZE\n DO I = 1, N_INLINE_BAND\n ITTR = NJO_NEW - N_INLINE_BAND + I \n WRITE(ODATA_UNIT,'(1X,1PE12.4)',ADVANCE = 'NO')ICE_EXT(ITTR, J)\n ENDDO\n PARTICLE_SIZE = PARTICLE_SIZE + ICE_DIAM_INC\n WRITE(ODATA_UNIT,*)\n \n END DO \n \n WRITE(ODATA_UNIT,6011)'QUANTITY','EDIAM, um',\n & (EFFECTIVE_LAMBDA(NJO_NEW - N_INLINE_BAND + J), J = 1, N_INLINE_BAND)\n\n PARTICLE_SIZE = ICE_DIAM_INT\n DO J = 1, NDIAM_ICE\n\n WRITE(ODATA_UNIT,'(A8,1X,F10.3)',ADVANCE = 'NO')'ICE_ASY',PARTICLE_SIZE\n DO I = 1, N_INLINE_BAND\n ITTR = NJO_NEW - N_INLINE_BAND + I \n WRITE(ODATA_UNIT,'(1X,1PE12.4)',ADVANCE = 'NO')ICE_ASY(ITTR, J)\n ENDDO\n PARTICLE_SIZE = PARTICLE_SIZE + ICE_DIAM_INC\n WRITE(ODATA_UNIT,*)\n \n END DO \n\n WRITE(ODATA_UNIT,6011)'QUANTITY','EDIAM, um',\n & (EFFECTIVE_LAMBDA(NJO_NEW - N_INLINE_BAND + J), J = 1, N_INLINE_BAND)\n\n PARTICLE_SIZE = ICE_DIAM_INT\n DO J = 1, NDIAM_ICE\n\n WRITE(ODATA_UNIT,'(A8,1X,F10.3)',ADVANCE = 'NO')'ICE_COA',PARTICLE_SIZE\n DO I = 1, N_INLINE_BAND\n ITTR = NJO_NEW - N_INLINE_BAND + I \n WRITE(ODATA_UNIT,'(1X,1PE12.4)',ADVANCE = 'NO')\n & MAX(0.0, MIN(MAX_COALB, ICE_SSA(ITTR, J)))\n ENDDO\n PARTICLE_SIZE = PARTICLE_SIZE + ICE_DIAM_INC\n WRITE(ODATA_UNIT,*)\n \n END DO \n\n WRITE(ODATA_UNIT,6011)'QUANTITY','EDIAM, um',\n & (EFFECTIVE_LAMBDA(NJO_NEW - N_INLINE_BAND + J), J = 1, N_INLINE_BAND)\n\n PARTICLE_SIZE = ICE_DIAM_INT\n DO J = 1, NDIAM_ICE\n\n WRITE(ODATA_UNIT,'(A8,1X,F10.3)',ADVANCE = 'NO')'ICE_DEL',PARTICLE_SIZE\n DO I = 1, N_INLINE_BAND\n ITTR = NJO_NEW - N_INLINE_BAND + I \n WRITE(ODATA_UNIT,'(1X,1PE12.4)',ADVANCE = 'NO')\n & MAX(0.0, MIN(MAX_COALB, ICE_DEL(ITTR, J)))\n ENDDO\n PARTICLE_SIZE = PARTICLE_SIZE + ICE_DIAM_INC\n WRITE(ODATA_UNIT,*)\n \n END DO \n\n ALLOCATE( MODIS_ALBEDO( NJO_NEW, NUMB_LANDUSE_MODIS ) )\n\n CALL SPECTRAL_REFLECT(MODIS_ALBEDO)\n\n! write out the suface albedo data for each landuse\n\n WRITE(ODATA_UNIT,5011)\n WRITE(ODATA_UNIT,5013)'NUMB_LANDUSE_MODIS = ', NUMB_LANDUSE_MODIS\n WRITE(ODATA_UNIT,5014)\n WRITE(ODATA_UNIT,5013)'INDEX_GRASSLAND = ', INDEX_GRASSLAND\n WRITE(ODATA_UNIT,5013)'INDEX_OCEAN_WATER = ', INDEX_OCEAN_WATER\n WRITE(ODATA_UNIT,5013)'INDEX_SEA_ICE = ', INDEX_SEA_ICE\n WRITE(ODATA_UNIT,5009)'! I','LANDUSE_CATEGORY',\n & 'ZENITH_ANGLE_COEFF', 'SEASONAL_COEFF','SNOW_COVER_COEEF'\n DO I = 1, NUMB_LANDUSE_MODIS\n WRITE(ODATA_UNIT,5012)I, LANDUSE( I ), \n & ZENITH_COEFF( I ), SEASON_COEFF( I ), SNOW_COEFF( I )\n ENDDO\n WRITE(ODATA_UNIT,'(A7,7X,A16,2X,40(A5,I3,A1,5X))')'! ',\n & 'LANDUSE CATEGORY',('WBIN(',J,')', J = 1, N_INLINE_BAND)\n DO I = 1, NUMB_LANDUSE_MODIS\n WRITE(ODATA_UNIT,'(A30,1X,40(1PE12.6,2X))')\n & TRIM(LANDUSE(I)),(MODIS_ALBEDO( NJO_NEW - N_INLINE_BAND + J, I), J = 1, N_INLINE_BAND)\n ENDDO\n\n WRITE(ODATA_UNIT,5015)\n\n WRITE(ODATA_UNIT,5013)'NUMB_NLCD_MODIS = ', NUMB_NLCD_MODIS\n WRITE(ODATA_UNIT,5009)'! I','LANDUSE_NLCD-MODIS','INDEX_ALBREF',\n & 'FAC_ALBREF'\n DO I = 1, NUMB_NLCD_MODIS\n WRITE(ODATA_UNIT,5016)I, NLCD_LANDUSE( I ), \n & INT(ALBMAP_REF2NLCD( I )), ALBFAC_REF2NLCD( I )\n ENDDO\n\n WRITE(ODATA_UNIT,5013)'NUMB_USGS = ', NUMB_USGS\n WRITE(ODATA_UNIT,5009)'! I','LANDUSE_USGS','INDEX_ALBREF',\n & 'FAC_ALBREF'\n DO I = 1, NUMB_USGS\n WRITE(ODATA_UNIT,5016)I, USGS_LANDUSE( I ), \n & INT(ALBMAP_REF2USGS( I )), ALBFAC_REF2USGS( I )\n ENDDO\n\n WRITE(ODATA_UNIT,5013)'NUMB_MODIS_NOAH = ', NUMB_MODIS_NOAH\n WRITE(ODATA_UNIT,5009)'! I','LANDUSE_MODIS-NOAH','INDEX_ALBREF',\n & 'FAC_ALBREF'\n DO I = 1, NUMB_MODIS_NOAH\n WRITE(ODATA_UNIT,5016)I, MODIS_LANDUSE( I ), \n & INT(ALBMAP_REF2MODIS( I )), ALBFAC_REF2MODIS( I )\n ENDDO\n\n\n WRITE(ODATA_UNIT,5013)'NUMB_NLCD40_MODIS = ', NUMB_NLCD40_MODIS\n WRITE(ODATA_UNIT,5009)'! I','LANDUSE_NLCD40-MODIS','INDEX_ALBREF',\n & 'FAC_ALBREF'\n DO I = 1, NUMB_NLCD40_MODIS\n WRITE(ODATA_UNIT,5016)I, NLCD40_LANDUSE( I ), \n & INT(ALBMAP_REF2NLCD40( I )), ALBFAC_REF2NLCD40( I )\n ENDDO\n\n CLOSE( ODATA_UNIT )\n\n\n1001 FORMAT(A16,22X,F5.1,2X,F5.1)\n1003 FORMAT(61X,F9.1)\n5001 FORMAT('! Wavelength, Optical and Surface Albedo Parameters for CMAQ In-Line Photolysis',\n & /, '! calculation . The values are determined by averaging technique over the above',\n & /, '! number of wavelength bins. The technique employs an approach used by the FASTJX', \n & /, '! versions 6 and 7.',\n & /, '!References:',\n & /, '! 1) Bian, H. S. and Prather, M. J.: Fast-J2: accurate simulation of stratospheric',\n & /, '! photolysis in global chemical models, J. Atmos. Chem., 41, 281-296', \n & /, '! doi:10.1023/A:1014980619462, 2002.',\n & /, '! 2) Hsu, J. and Prather, M. J.: Stratospheric variability and tropospheric ozone,',\n & /, '! J. Geophys. Res., 114, D06102, doi:10.1029/2008JD010942, 2009.',\n & /, '! 3) Prather, M. J.: Fast-JX versions and utilities, available at:',\n & /, '! http://www.ess.uci.edu/researchgrp/prather/scholar_software/fast-jx',\n & /, '! (last accessed: 24 January 2014), 2014.',\n & /, '!Last three numbers are cloud droplet optical properties for 10um radius (Hu & Stamnes, 1993)')\n5002 FORMAT('! Values are based on Hu & Stamnes (1993), An accurate parameterization of')\n5003 FORMAT('! the radiative properties of water clouds suitable for use in climate models,')\n5004 FORMAT('! J. of Climate, vol. 6, pp. 728-742.')\n5006 FORMAT('! LIQ_EXT=extinction coefficient, LIQ_ASY=asymmeter factor, LIQ_COA=single scattering co-albedo')\n5005 FORMAT('! Note: Cloud extinction/Liquid Water Content is in [1/m] over [g/m **3] where LWC is in g/m**3',\n & /, '! ')\n5007 FORMAT('! Complex refractive indices for aerosol components are based on ',\n & /,'! 1) Hess, M. P. Koepke, and I. Schult, Optical properties of aerosols and',\n & /,'! clouds: The software package OPAC, Bulletin of the American Meteorological', \n & /,'! Society, Vol 79, No 5, pp 831 - 844, May 1998. Available at',\n & /,'! www.lrz-muenchen.de/~uh234an/www/radaer/opac.htm',\n & /,'! 2) Segelstein, D., 1981: The Complex Refractive Index of Water, M.S. Thesis,',\n & /,'! University of Missouri--Kansas City, MO' )\n5008 FORMAT(I3,', ',3(F21.3,', '),ES21.4,', ',2(F21.3,', '),ES21.4,5(', ',F21.3,', ',ES21.4))\n5009 FORMAT(A3,', ',3(A21,', '),A21,', ',2(A21,', '),A21,5(', ',A21,', ',A21))\n5010 FORMAT('! Ozone Cross-Section for Stratospheric Opacity based on Table 4-5 in',\n & /,'! Chemical Kinetics and Photochemical Data for Use in Atmospheric',\n & /,'! Studies Evaluation Number 15. Sander et. al: NASA-JPL 2006 ')\n5011 FORMAT('! Surface Albedo with wavelength dependence for 20 MODIS land use types.',\n & /,'! Correction factors are included for solar zenith angle and season.',\n & /,'! Note that an adjustment is used better match spectral estimates.',\n & /,'! REFERENCE: CERES/SARB Surface Properties database',\n & /,'! http://www-surf.larc.nasa.gov/surf/pages/explan.html',\n & /,'!(last accessed: 30 January 2014).')\n5012 FORMAT(I3,1X,A30,1X,3(F8.3,2X))\n5013 FORMAT(A21,1X,I3)\n5014 FORMAT('! Following two indices denote the categories assigned as generic',\n & /,'! land and water surfaces. The surfaces are used as the default',\n & /,'! land characterization scheme if scheme used is not known.')\n5015 FORMAT('! Following maps the above albedo data to three land characterization',\n & /,'! schemes commonly used in CMAQ applications.',\n & /,'! ')\n5016 FORMAT(I3,1X,A60,1X,I3,2X,3(F8.3,2X))\n\n6001 FORMAT('! Liquid Droplet Optical Properties versus Effective Wavelength and equivalent radius.')\n6008 FORMAT(I3,', ',3(F14.3,', '),20(F11.3,', ',ES11.4,', '),F11.3,', ',ES11.4)\n6009 FORMAT(A3,', ',3(A14,', '),20(A11,', ',A11,', '),A11,', ',A11)\n7001 FORMAT('! Ice Particle Optical Properties versus Effective Wavelength and Effective Diameter.')\n7002 FORMAT('! Values are based on Fu (1996), An accurate parameterization of')\n7003 FORMAT('! the solar radiative properties of cirrus ice suitable for climate models,')\n7004 FORMAT('! J. of Climate, vol. 9, pp. 2058-2082.')\n7005 FORMAT('! ICE_EXT=extinction coefficient, ICE_ASY=asymmeter factor, ICE_COA=co-albedo, ICE_DEL=Delta Transmission function')\n7006 FORMAT('! Note: Extinction/Ice Water Content is in [1/m] over [g/m **3] where IWC is in g/m**3')\n RETURN\n END SUBROUTINE WRT_OPTICS_DATA\n" }, { "path": "UTIL/inline_phot_preproc/src/wvbin_average-b.f", "content": " SUBROUTINE WVBIN_AVERAGE_B(WL_CS_IN, CS_IN, NWL_CS_IN, \n & WL_QY_IN, QY_IN, NWL_QY_IN, \n & SPECTRA_TYPE,\n & WLL_AVE, WLU_AVE, NWL_AVE, \n & CS_AVE, QY_AVE )\n\n USE CSQY_PARAMETERS\n USE BIN_DATA\n\n IMPLICIT NONE \n \n! INCLUDE 'JVALPARMS.EXT' ! jproc parameters\n\n\nC...........ARGUMENTS and their descriptions\n\n CHARACTER(1), INTENT( IN ) :: SPECTRA_TYPE ! spectra type\n INTEGER, INTENT( IN ) :: NWL_AVE ! number of intervals average \n INTEGER, INTENT( IN ) :: NWL_CS_IN ! number of intervals CS_IN\n INTEGER, INTENT( IN ) :: NWL_QY_IN ! number of intervals CS_IN\n REAL, INTENT( IN ) :: WL_CS_IN( : ) ! wl for CS_IN\n REAL, INTENT( IN ) :: WL_QY_IN( : ) ! wl for QY_IN\n REAL, INTENT( IN ) :: CS_IN( : ) ! cross-section as f(WLIN)\n REAL, INTENT( IN ) :: QY_IN( : ) ! quantum yield as f(WLIN)\n REAL, INTENT( INOUT ) :: WLL_AVE( : ) ! lower limit on wl effective interval\n REAL, INTENT( INOUT ) :: WLU_AVE( : ) ! upper limit on wl effective interval\n REAL, INTENT( INOUT ) :: CS_AVE( : ) ! cross-section as f(WL_AVE)\n REAL, INTENT( INOUT ) :: QY_AVE( : ) ! quantum yield as f(WL_AVE)\n\nC...........LOCAL VARIABLES and their descriptions:\n \n CHARACTER(16) :: PNAME = 'WVBIN_AVERAGE' ! program name\n CHARACTER(80) :: MSG = ' ' ! message\n\n! REAL(8) :: FBIN(NBO)\n! REAL(8) :: ABIN(NBO)\n! REAL(8) :: CBIN(NBO)\n! REAL(8) :: DBIN(NBO)\n! REAL(8) :: EBIN(NBO)\n\n REAL(8), ALLOCATABLE, SAVE :: FBIN( : )\n REAL(8), ALLOCATABLE, SAVE :: ABIN( : )\n REAL(8), ALLOCATABLE, SAVE :: CBIN( : )\n REAL(8), ALLOCATABLE, SAVE :: DBIN( : )\n REAL(8), ALLOCATABLE, SAVE :: EBIN( : )\n\n REAL(8) :: WW\n\n REAL(8), ALLOCATABLE, SAVE :: FFBIN( : )\n REAL(8), ALLOCATABLE, SAVE :: AABIN( : )\n REAL(8), ALLOCATABLE, SAVE :: CCBIN( : )\n REAL(8), ALLOCATABLE, SAVE :: DDBIN( : )\n REAL(8), ALLOCATABLE, SAVE :: EEBIN( : )\n \n\n REAL, ALLOCATABLE, SAVE :: XCOUT(:), QYOUT(:)\n \n INTEGER :: I, J, K\n\n LOGICAL, SAVE :: FIRSTCALL = .TRUE.\n\n INTERFACE \n SUBROUTINE INTAVG ( WLIN, CQIN, NWLIN, SPECTRA_TYPE,\n & NWLOUT, WLOUT1, WLOUT2, CQOUT )\n CHARACTER(1), INTENT( IN ) :: SPECTRA_TYPE ! spectra type\n INTEGER, INTENT( IN ) :: NWLOUT ! number of intervals ETin\n INTEGER, INTENT( IN ) :: NWLIN ! number of intervals CQin\n REAL, INTENT( IN ) :: WLIN ( : ) ! wl for CQin\n REAL, INTENT( IN ) :: CQIN( : ) ! quantity (CS or QY) as f(WLIN)\n REAL, INTENT( INOUT ) :: WLOUT1( : ) ! lower limit on wl int ETin\n REAL, INTENT( INOUT ) :: WLOUT2( : ) ! upper limit on wl int ETin\n REAL, INTENT( OUT ) :: CQOUT ( : ) ! quantity (CS or QY) as f(WLOUT)\n END SUBROUTINE INTAVG\n SUBROUTINE INTAVG_C ( WLIN, CQIN, NWLIN, SPECTRA_TYPE,\n & NWLOUT, WLOUT1, WLOUT2, CQOUT )\n USE CSQY_PARAMETERS\n IMPLICIT NONE \n CHARACTER(1), INTENT( IN ) :: SPECTRA_TYPE ! spectra type\n INTEGER, INTENT( IN ) :: NWLOUT ! number of intervals ETin\n INTEGER, INTENT( IN ) :: NWLIN ! number of intervals CQin\n REAL, INTENT( IN ) :: WLIN ( : ) ! wl for CQin\n REAL, INTENT( IN ) :: CQIN( : ) ! quantity (CS or QY) as f(WLIN)\n REAL, INTENT( INOUT ) :: WLOUT1( : ) ! lower limit on wl int ETin\n REAL, INTENT( INOUT ) :: WLOUT2( : ) ! upper limit on wl int ETin\n REAL, INTENT( OUT ) :: CQOUT ( : ) ! quantity (CS or QY) as f(WLOUT)\n END SUBROUTINE INTAVG_C\n END INTERFACE\n\n IF( FIRSTCALL )THEN\n\n FIRSTCALL = .FALSE.\n\n CALL INIT_BIN_DATA\n \n IF( CHANGE_WBIN )THEN\n\n\n ALLOCATE( FBIN( NB_NEW + 1 ) )\n ALLOCATE( ABIN( NB_NEW + 1 ) )\n ALLOCATE( CBIN( NB_NEW + 1 ) )\n ALLOCATE( DBIN( NB_NEW + 1 ) )\n ALLOCATE( EBIN( NB_NEW + 1 ) )\n\n ELSE\n \n ALLOCATE( FBIN( NBO ) )\n ALLOCATE( ABIN( NBO ) )\n ALLOCATE( CBIN( NBO ) )\n ALLOCATE( DBIN( NBO ) )\n ALLOCATE( EBIN( NBO ) )\n\n ENDIF\n\n\n ALLOCATE( XCOUT(NSO), QYOUT(NSO))\n\n ALLOCATE( AABIN(NJO_NEW), CCBIN( NJO_NEW), DDBIN(NJO_NEW), EEBIN(NJO_NEW), FFBIN(NJO_NEW))\n\n ENDIF ! FIRSTCALL\n\nc---now ready to do any flux-weighted means over the bins\n FBIN(:) = 0.d0\n ABIN(:) = 0.0d0 \n CBIN(:) = 0.0d0 \n DBIN(:) = 0.0d0 \n EBIN(:) = 0.0d0 \n\n write(6,'(es12.4,1x)')QY_IN(1:NWL_QY_IN)\n CALL INTAVG_C(WL_CS_IN, CS_IN, NWL_CS_IN, SPECTRA_TYPE, NSO, WL, WU, XCOUT)\n CALL INTAVG_C(WL_QY_IN, QY_IN, NWL_QY_IN, SPECTRA_TYPE, NSO, WL, WU, QYOUT)\n\n print*,'intepolated in wvbin_average'\n\n do J=K1,K2\n K = J - K1 + 1\n\n I = IBINJ_NEW(J)\n if (I .gt. 0) then\n WW = W(J)\n FBIN(I) = FBIN(I) + F(J)\n ABIN(I) = ABIN(I) + F(J)*DBLE(XCOUT(J))\n CBIN(I) = CBIN(I) + F(J)*DBLE(QYOUT(J))\n DBIN(I) = DBIN(I) + F(J)*DBLE(XCOUT(J))*DBLE(QYOUT(J))\n EBIN(I) = DBIN(I)\n! ABIN(I) = ABIN(I) + F(J)*XNEW\n endif\n enddo\n\n print*,'step 1 in wvbin_average'\n\n\n do I=1,NB_NEW\n! PRINT*,ABIN(I),EBIN(I)\n if (ABIN(I) .gt. 0.d0)EBIN(I) = EBIN(I)/ABIN(I)\n if (FBIN(I) .gt. 0.d0) then\n ABIN(I) = ABIN(I)/FBIN(I)\n CBIN(I) = CBIN(I)/FBIN(I)\n DBIN(I) = DBIN(I)/FBIN(I)\n endif\n enddo\n\n print*,'step 2 in wvbin_average'\n\nc---write out UCI std 77-bin data\nc write(6,'(a10,f10.2,a)') ' Temp=',TT,' flx O3T O3D NO2 NO2x'\nc write(6,'(i5,0p,2f10.3,1p,6e10.3)') (I,WBIN(I),WBIN(I+1),FBIN(I)\nc & ,XBIN(I),QBIN(I),YBIN(I),ZBIN(I),ABIN(I),I=1,NB)\n\n\nc---combine fast-JX bins: \nc--- non-SR bands (16:NB) are assigned a single JX bin\nc--- SR bands are split (by Opacity Distrib Fn) into a range of JX bins\n FFBIN(:) = 0.d0\n AABIN(:) = 0.d0\n CCBIN(:) = 0.d0\n DDBIN(:) = 0.d0\n EEBIN(:) = 0.d0\n\n\n\n FFBIN(:) = 0.d0\n do I=16,NB_NEW\n! J = IJX(I)\n! J = IJX_CALC(I)\n J = IJX_BIN_NEW( I )\n FFBIN(J) = FFBIN(J) + FBIN(I)\n AABIN(J) = AABIN(J) + FBIN(I)*ABIN(I)\n CCBIN(J) = CCBIN(J) + FBIN(I)*CBIN(I)\n DDBIN(J) = DDBIN(J) + FBIN(I)*DBIN(I)\n EEBIN(J) = EEBIN(J) + FBIN(I)*ABIN(I)*EBIN(I)\n enddo\n\n print*,'step 4 in wvbin_average'\n\n do I=1,15\n do J=1,NJO_NEW\n FFBIN(J) = FFBIN(J) + FBIN(I)*SRB_NEW(I,J)\n AABIN(J) = AABIN(J) + FBIN(I)*ABIN(I)*SRB_NEW(I,J)\n CCBIN(J) = CCBIN(J) + FBIN(I)*CBIN(I)*SRB_NEW(I,J)\n DDBIN(J) = DDBIN(J) + FBIN(I)*DBIN(I)*SRB_NEW(I,J)\n EEBIN(J) = EEBIN(J) + FBIN(I)*ABIN(I)*EBIN(I)*SRB_NEW(I,J)\n enddo\n enddo\n\n print*,'step 5 in wvbin_average'\n\n \n\n! NWL_AVE = NJO_NEW\n! WLL_AVE = 0.0\n! WLU_AVE = 0.0\n! CS_AVE = 0.0\n! QY_AVE = 0.0\n\n\n print*,'step 6 in wvbin_average'\n\n\n do J = 1, 8\n! WLL_AVE( J ) = STWL_NEW( J )\n! WLU_AVE( J ) = END_WV_FASTJX( J )\n WLL_AVE( J ) = STWL_NEW( J )\n WLU_AVE( J ) = ENDWL_NEW( J )\n enddo \n\n\n\n do J = 9, NJO_NEW\n! WLL_AVE( J ) = STWL_NEW( J + 2 )\n! WLU_AVE( J ) = END_WV_FASTJX( J + 2 )\n WLL_AVE( J ) = STWL_NEW( J + 2 )\n WLU_AVE( J ) = ENDWL_NEW( J + 2)\n enddo \n\n\n do J=1,NJO_NEW\n if (AABIN(J) .gt. 0.d0) EEBIN(J) = EEBIN(J)/AABIN(J)\n if (FFBIN(J) .gt. 0.d0)THEN\n AABIN(J) = AABIN(J)/FFBIN(J)\n CCBIN(J) = CCBIN(J)/FFBIN(J)\n DDBIN(J) = DDBIN(J)/FFBIN(J)\n CS_AVE( J ) = AABIN(J)\n QY_AVE( J ) = EEBIN(J)\n endif\n enddo\n\n print*,'step 7 in wvbin_average'\n\n RETURN\n END\n" }, { "path": "UTIL/inline_phot_preproc/src/wvbin_average.f", "content": " SUBROUTINE WVBIN_AVERAGE(WL_CS_IN, CS_IN, NWL_CS_IN, \n & WL_QY_IN, QY_IN, NWL_QY_IN, \n & SPECTRA_TYPE,\n & WLL_AVE, WLU_AVE, NWL_AVE, \n & CS_AVE, QY_AVE )\n\n USE CSQY_PARAMETERS\n USE BIN_DATA\n\n IMPLICIT NONE \n \n! INCLUDE 'JVALPARMS.EXT' ! jproc parameters\n\n\nC...........ARGUMENTS and their descriptions\n\n CHARACTER(1), INTENT( IN ) :: SPECTRA_TYPE ! spectra type\n INTEGER, INTENT( IN ) :: NWL_AVE ! number of intervals average \n INTEGER, INTENT( IN ) :: NWL_CS_IN ! number of intervals CS_IN\n INTEGER, INTENT( IN ) :: NWL_QY_IN ! number of intervals CS_IN\n REAL, INTENT( IN ) :: WL_CS_IN( : ) ! wl for CS_IN\n REAL, INTENT( IN ) :: WL_QY_IN( : ) ! wl for QY_IN\n REAL, INTENT( IN ) :: CS_IN( : ) ! cross-section as f(WLIN)\n REAL, INTENT( IN ) :: QY_IN( : ) ! quantum yield as f(WLIN)\n REAL, INTENT( INOUT ) :: WLL_AVE( : ) ! lower limit on wl effective interval\n REAL, INTENT( INOUT ) :: WLU_AVE( : ) ! upper limit on wl effective interval\n REAL, INTENT( INOUT ) :: CS_AVE( : ) ! cross-section as f(WL_AVE)\n REAL, INTENT( INOUT ) :: QY_AVE( : ) ! quantum yield as f(WL_AVE)\n\nC...........LOCAL VARIABLES and their descriptions:\n \n CHARACTER(16) :: PNAME = 'WVBIN_AVERAGE' ! program name\n CHARACTER(80) :: MSG = ' ' ! message\n\n! REAL(8) :: FBIN(NBO)\n! REAL(8) :: ABIN(NBO)\n! REAL(8) :: CBIN(NBO)\n! REAL(8) :: DBIN(NBO)\n! REAL(8) :: EBIN(NBO)\n\n REAL(8), ALLOCATABLE, SAVE :: FBIN( : )\n REAL(8), ALLOCATABLE, SAVE :: ABIN( : )\n REAL(8), ALLOCATABLE, SAVE :: CBIN( : )\n REAL(8), ALLOCATABLE, SAVE :: DBIN( : )\n REAL(8), ALLOCATABLE, SAVE :: EBIN( : )\n\n REAL(8) :: WW\n\n REAL(8), ALLOCATABLE, SAVE :: FFBIN( : )\n REAL(8), ALLOCATABLE, SAVE :: AABIN( : )\n REAL(8), ALLOCATABLE, SAVE :: CCBIN( : )\n REAL(8), ALLOCATABLE, SAVE :: DDBIN( : )\n REAL(8), ALLOCATABLE, SAVE :: EEBIN( : )\n \n\n REAL, ALLOCATABLE, SAVE :: XCOUT(:), QYOUT(:)\n \n INTEGER :: I, J, K\n\n LOGICAL, SAVE :: FIRSTCALL = .TRUE.\n\n INTERFACE \n SUBROUTINE INTAVG ( WLIN, CQIN, NWLIN, SPECTRA_TYPE,\n & NWLOUT, WLOUT1, WLOUT2, CQOUT )\n CHARACTER(1), INTENT( IN ) :: SPECTRA_TYPE ! spectra type\n INTEGER, INTENT( IN ) :: NWLOUT ! number of intervals ETin\n INTEGER, INTENT( IN ) :: NWLIN ! number of intervals CQin\n REAL, INTENT( IN ) :: WLIN ( : ) ! wl for CQin\n REAL, INTENT( IN ) :: CQIN( : ) ! quantity (CS or QY) as f(WLIN)\n REAL, INTENT( INOUT ) :: WLOUT1( : ) ! lower limit on wl int ETin\n REAL, INTENT( INOUT ) :: WLOUT2( : ) ! upper limit on wl int ETin\n REAL, INTENT( OUT ) :: CQOUT ( : ) ! quantity (CS or QY) as f(WLOUT)\n END SUBROUTINE INTAVG\n SUBROUTINE INTAVG_C ( WLIN, CQIN, NWLIN, SPECTRA_TYPE,\n & NWLOUT, WLOUT1, WLOUT2, CQOUT )\n CHARACTER(1), INTENT( IN ) :: SPECTRA_TYPE ! spectra type\n INTEGER, INTENT( IN ) :: NWLOUT ! number of intervals ETin\n INTEGER, INTENT( IN ) :: NWLIN ! number of intervals CQin\n REAL, INTENT( IN ) :: WLIN ( : ) ! wl for CQin\n REAL, INTENT( IN ) :: CQIN( : ) ! quantity (CS or QY) as f(WLIN)\n REAL, INTENT( INOUT ) :: WLOUT1( : ) ! lower limit on wl int ETin\n REAL, INTENT( INOUT ) :: WLOUT2( : ) ! upper limit on wl int ETin\n REAL, INTENT( OUT ) :: CQOUT ( : ) ! quantity (CS or QY) as f(WLOUT)\n END SUBROUTINE INTAVG_C\n END INTERFACE\n\n IF( FIRSTCALL )THEN\n\n FIRSTCALL = .FALSE.\n\n CALL INIT_BIN_DATA\n\n IF( CHANGE_WBIN )THEN\n\n\n ALLOCATE( FBIN( NB_NEW + 1 ) )\n ALLOCATE( ABIN( NB_NEW + 1 ) )\n ALLOCATE( CBIN( NB_NEW + 1 ) )\n ALLOCATE( DBIN( NB_NEW + 1 ) )\n ALLOCATE( EBIN( NB_NEW + 1 ) )\n\n ELSE\n \n ALLOCATE( FBIN( NBO ) )\n ALLOCATE( ABIN( NBO ) )\n ALLOCATE( CBIN( NBO ) )\n ALLOCATE( DBIN( NBO ) )\n ALLOCATE( EBIN( NBO ) )\n\n ENDIF\n\n \n ALLOCATE( XCOUT(NSO), QYOUT(NSO))\n\n ALLOCATE( AABIN(NJO_NEW), CCBIN( NJO_NEW), DDBIN(NJO_NEW), EEBIN(NJO_NEW), FFBIN(NJO_NEW))\n\n ENDIF ! FIRSTCALL\n\nc---now ready to do any flux-weighted means over the bins\n FBIN(:) = 0.d0\n ABIN(:) = 0.0d0 \n CBIN(:) = 0.0d0 \n DBIN(:) = 0.0d0 \n EBIN(:) = 0.0d0 \n\n CALL INTAVG_C(WL_CS_IN, CS_IN, NWL_CS_IN, SPECTRA_TYPE, NSO, WL, WU, XCOUT)\n CALL INTAVG_C(WL_QY_IN, QY_IN, NWL_QY_IN, SPECTRA_TYPE, NSO, WL, WU, QYOUT)\n\n\n\n do J=K1,K2\n K = J - K1 + 1\n\n I = IBINJ_NEW(J)\n if (I .gt. 0) then\n WW = W(J)\n FBIN(I) = FBIN(I) + F(J)\n ABIN(I) = ABIN(I) + F(J)*DBLE(XCOUT(J))\n CBIN(I) = CBIN(I) + F(J)*DBLE(QYOUT(J))\n DBIN(I) = DBIN(I) + F(J)*DBLE(XCOUT(J))*DBLE(QYOUT(J))\n EBIN(I) = DBIN(I)\n! ABIN(I) = ABIN(I) + F(J)*XNEW\n endif\n enddo\n\n\n\n do I=1,NB_NEW\n if (ABIN(I) .gt. 0.d0)EBIN(I) = EBIN(I)/ABIN(I)\n if (FBIN(I) .gt. 0.d0) then\n ABIN(I) = ABIN(I)/FBIN(I)\n CBIN(I) = CBIN(I)/FBIN(I)\n DBIN(I) = DBIN(I)/FBIN(I)\n endif\n enddo\n\n\nc---write out UCI std 77-bin data\nc write(6,'(a10,f10.2,a)') ' Temp=',TT,' flx O3T O3D NO2 NO2x'\nc write(6,'(i5,0p,2f10.3,1p,6e10.3)') (I,WBIN(I),WBIN(I+1),FBIN(I)\nc & ,XBIN(I),QBIN(I),YBIN(I),ZBIN(I),ABIN(I),I=1,NB)\n\n\nc---combine fast-JX bins: \nc--- non-SR bands (16:NB) are assigned a single JX bin\nc--- SR bands are split (by Opacity Distrib Fn) into a range of JX bins\n FFBIN(:) = 0.d0\n AABIN(:) = 0.d0\n CCBIN(:) = 0.d0\n DDBIN(:) = 0.d0\n EEBIN(:) = 0.d0\n\n\n\n FFBIN(:) = 0.d0\n do I=16,NB_NEW\n! J = IJX(I)\n! J = IJX_CALC(I)\n J = IJX_BIN_NEW( I )\n FFBIN(J) = FFBIN(J) + FBIN(I)\n AABIN(J) = AABIN(J) + FBIN(I)*ABIN(I)\n CCBIN(J) = CCBIN(J) + FBIN(I)*CBIN(I)\n DDBIN(J) = DDBIN(J) + FBIN(I)*DBIN(I)\n EEBIN(J) = EEBIN(J) + FBIN(I)*ABIN(I)*EBIN(I)\n enddo\n\n\n do I=1,15\n do J=1,NJO_NEW\n FFBIN(J) = FFBIN(J) + FBIN(I)*SRB_NEW(I,J)\n AABIN(J) = AABIN(J) + FBIN(I)*ABIN(I)*SRB_NEW(I,J)\n CCBIN(J) = CCBIN(J) + FBIN(I)*CBIN(I)*SRB_NEW(I,J)\n DDBIN(J) = DDBIN(J) + FBIN(I)*DBIN(I)*SRB_NEW(I,J)\n EEBIN(J) = EEBIN(J) + FBIN(I)*ABIN(I)*EBIN(I)*SRB_NEW(I,J)\n enddo\n enddo\n\n\n \n\n! NWL_AVE = NJO_NEW\n! WLL_AVE = 0.0\n! WLU_AVE = 0.0\n! CS_AVE = 0.0\n! QY_AVE = 0.0\n\n\n\n\n do J = 1, 8\n! WLL_AVE( J ) = STR_WV_FASTJX( J )\n! WLU_AVE( J ) = END_WV_FASTJX( J )\n WLL_AVE( J ) = STWL_NEW( J )\n WLU_AVE( J ) = ENDWL_NEW( J )\n enddo \n\n\n\n do J = 9, NJO_NEW\n! WLL_AVE( J ) = STR_WV_FASTJX( J + 2 )\n! WLU_AVE( J ) = END_WV_FASTJX( J + 2 )\n WLL_AVE( J ) = STWL_NEW( J + 2 )\n WLU_AVE( J ) = ENDWL_NEW( J + 2)\n enddo \n\n\n do J=1,NJO_NEW\n if (AABIN(J) .gt. 0.d0) EEBIN(J) = EEBIN(J)/AABIN(J)\n if (FFBIN(J) .gt. 0.d0)THEN\n AABIN(J) = AABIN(J)/FFBIN(J)\n CCBIN(J) = CCBIN(J)/FFBIN(J)\n DDBIN(J) = DDBIN(J)/FFBIN(J)\n CS_AVE( J ) = AABIN(J)\n QY_AVE( J ) = EEBIN(J)\n endif\n enddo\n\n\n RETURN\n END\n" }, { "path": "UTIL/inline_phot_preproc/src/xc_qy_td_effect-old.F", "content": " SUBROUTINE XC_QY_TD_EFFECT(WC,NW,TLEV,DENS,NZ,\n & JLABEL,XC,QY,SQ,REPLACE)\n\n USE JPROC_PHOT_DATA\n\n IMPLICIT NONE\n\n! subroutine computes the product of the cross-section and\n! quantum yield over the atmospheric levels \n! includes temperature and pressure effect for select rates\n\n\n! input\n\n INTEGER, INTENT( IN ) :: nw\n REAL, INTENT( IN ) :: wc(:)\n INTEGER, INTENT( IN ) :: nz\n REAL, INTENT( IN ) :: tlev(:) ! air temperature over model levels, deg K\n REAL, INTENT( IN ) :: dens(:) ! air number density over level, 1/cm3\n CHARACTER(16), INTENT( IN ) :: jlabel ! name of photolysis rate\n REAL, INTENT( INOUT ) :: xc(:,:) ! cross-section from file\n REAL, INTENT( INOUT ) :: qy(:,:) ! quantum yield from file\n REAL, INTENT( OUT ) :: sq(:,:) ! cross-section times quantum yield over model levels\n LOGICAL, INTENT( OUT ) :: REPLACE ! flag to use sq values in calling routine \n\n! input/output:\n INTEGER I, J, N\n\n! local:\n\n INTEGER IW, IJ, IZ\n\n LOGICAL, SAVE :: FIRSTCALL = .TRUE.\n\n! output quantum yields\n\n LOGICAL EXISTS\n\n REAL PRESSURE\n REAL TDUM, QDUM, WDUM\n\n\n\n! local\n REAL, EXTERNAL :: OZONE_YIELD\n REAL, EXTERNAL :: QY_ACETONE\n REAL, EXTERNAL :: QY_ACETONE_TUV\n\n REAL NO2_XCROSS(KW,KZ), NO2_QUANT(KW,KZ)\n REAL O3_XCROSS(KW,KZ),O3_QUANT(KW,KZ)\n REAL HCHO_XCROSS(KW,KZ),HCHO_QUANTR(KW,KZ),HCHO_QUANTM(KW,KZ)\n REAL CLONO2_XCROSS(KW,KZ)\n REAL QYNO3_NO2(KW,KZ),QYNO3_NO(KW,KZ)\n REAL SIG, ALPHA, BETA, CHI\n\n INTERFACE\n SUBROUTINE WVBIN_AVERAGE(WL_CS_IN, CS_IN, NWL_CS_IN, \n & WL_QY_IN, QY_IN, NWL_QY_IN, \n & SPECTRA_TYPE,\n & WLL_AVE, WLU_AVE, NWL_AVE, \n & CS_AVE, QY_AVE )\n USE JPROC_PROFILE\n USE BIN_DATA\n IMPLICIT NONE \n CHARACTER(1), INTENT( IN ) :: SPECTRA_TYPE ! spectra type\n INTEGER, INTENT( IN ) :: NWL_AVE ! number of intervals average \n INTEGER, INTENT( IN ) :: NWL_CS_IN ! number of intervals CS_IN\n INTEGER, INTENT( IN ) :: NWL_QY_IN ! number of intervals CS_IN\n REAL, INTENT( IN ) :: WL_CS_IN( : ) ! wl for CS_IN\n REAL, INTENT( IN ) :: WL_QY_IN( : ) ! wl for QY_IN\n REAL, INTENT( IN ) :: CS_IN( : ) ! cross-section as f(WLIN)\n REAL, INTENT( IN ) :: QY_IN( : ) ! quantum yield as f(WLIN)\n REAL, INTENT( OUT) :: WLL_AVE( : ) ! lower limit on wl effective interval\n REAL, INTENT( OUT) :: WLU_AVE( : ) ! upper limit on wl effective interval\n REAL, INTENT( OUT) :: CS_AVE( : ) ! cross-section as f(WL_AVE)\n REAL, INTENT( OUT) :: QY_AVE( : ) ! quantum yield as f(WL_AVE)\n END SUBROUTINE WVBIN_AVERAGE\n END INTERFACE \n!_______________________________________________________________________\n\n! complete wavelength grid\n\n\n\n IF(FIRSTCALL)THEN\n\n \n CALL INIT_JPROC_DATA()\n\n DO 5 iw = 1, nw\nC print*,'wc(',iw,') = ',wc(iw)\n5 CONTINUE\n \n PRINT*,'INITIALIZED XC_QY_TD_EFFECT '\n! pause\n\n ENDIF\n\n! computing data used for multiple rates\n\n DO IW = 1, NW\n DO IZ = 1, NZ\n\n IF( TLEV(IZ) .LT. 293.0 .AND. TLEV(IZ) .GT. 218.0)THEN\n O3_XCROSS(IW,IZ) = (O3_XCROSS_293K(IW)-O3_XCROSS_218K(IW))\n & / 75.0\n & * (TLEV(IZ) - 218.0)\n & + O3_XCROSS_218K(IW)\n ELSEIF( TLEV(IZ) .LE. 218.0)THEN\n O3_XCROSS(IW,IZ) = O3_XCROSS_218K(IW)\n ELSEIF( TLEV(IZ) .GE. 293.0)THEN\n O3_XCROSS(IW,IZ) = O3_XCROSS_293K(IW)\n ENDIF\n\n O3_XCROSS(IW,IZ) = O3_XCROSS(IW,IZ)\n O3_QUANT( IW,IZ) = OZONE_YIELD(WC(IW),TLEV(IZ)) \n\n TDUM = TLEV(IZ)-296.0\n \n CLONO2_XCROSS(IW,IZ) = CLONO2_XCROSS0(IW)\n & * ( 1.0\n & + CLONO2_A1(IW)*TDUM \n & + CLONO2_A2(IW)*TDUM**2 )\n\n\n NO2_XCROSS(IW,IZ) = NO2_XCROSS_294K(IW)\n IF(TLEV(IZ) .GT. 220.0 .AND. TLEV(IZ) .LT. 294.0)THEN\n TDUM = (NO2_XCROSS_294K(IW)-NO2_XCROSS_220K(IW))\n & * (TLEV(IZ)-220.0)/74.0\n NO2_XCROSS(IW,IZ) = NO2_XCROSS_220K(IW)\n & + TDUM \n ELSEIF(TLEV(IZ) .LE. 220.0)THEN\n NO2_XCROSS(IW,IZ) = NO2_XCROSS_220K(IW)\n ENDIF\n\n NO2_QUANT(IW,IZ) = NO2_QUANT_298K(IW)\n IF(TLEV(IZ) .GT. 248.0 .AND. TLEV(IZ) .LT. 294.0)THEN\n TDUM = (NO2_QUANT_298K(IW)-NO2_QUANT_248K(IW))\n & * (TLEV(IZ)-248.0)/50.0\n NO2_QUANT(IW,IZ) = NO2_QUANT_248K(IW)\n & + TDUM \n ELSEIF(TLEV(IZ) .LE. 248.0)THEN\n NO2_QUANT(IW,IZ) = NO2_QUANT_248K(IW)\n ENDIF\n NO2_QUANT(IW,IZ) = MIN(MAX(NO2_QUANT(IW,IZ), 0.0), 1.0)\n\n ENDDO\n ENDDO\n\n\n CALL JHCHO_NASA_2006(NW,WC,NZ,TLEV,DENS, HCHO_XCROSS, \n & HCHO_QUANTR, HCHO_QUANTM)\n\n\n CALL NASA_NO3_QUANTAS(NW,WC,NZ,TLEV,DENS,QYNO3_NO,\n & QYNO3_NO2)\n\n\n SQ = 0.0\n\n PRINT*,'ENTERING CASE SELECT FOR XC_QY_TD_EFFECT ', JLABEL\n\n SELECT CASE( JLABEL ) \n CASE( 'IC3ONO2' )\n\n DO IW = 1, NW\n DO IZ = 1, NZ\n\n IF((WC(IW) .GE. 240.) .AND. (WC(IW) .LE. 340.))THEN\n\n IF( TLEV(IZ) .LT. 360.0 .AND. TLEV(IZ) .GT. 233.0)THEN\n SIG = IC3ONO2_XCROSS_298K(IW)\n & * EXP(IC3ONO2_XCROSS_EXP(IW)*(TLEV(IZ)-298.0))\n ELSEIF( TLEV(IZ) .LE. 240.0)THEN\n SIG = IC3ONO2_XCROSS_298K(IW)\n & * EXP(IC3ONO2_XCROSS_EXP(IW)*(-58.0))\n ELSEIF( TLEV(IZ) .GE. 360.)THEN\n SIG = IC3ONO2_XCROSS_298K(IW)\n & * EXP(IC3ONO2_XCROSS_EXP(IW)*(62.0))\n ENDIF\n ELSE\n SIG = IC3ONO2_XCROSS_298K(IW)\n ENDIF\n\n SQ(IZ, IW) = SIG*QY(IZ,IW)\n XC(IZ, IW) = SIG\n \n ENDDO\n ENDDO\n\n REPLACE = .TRUE.\n\n CASE( 'NO2-06' ) ! 'NO2 -> NO + O(3P)'\n\n DO iw = 1, nw\n DO i = 1, nz\n sq(i, iw) = NO2_XCROSS(iw,i)*NO2_QUANT(iw,i)\n xc(i, iw) = NO2_XCROSS(iw,i)\n qy(i, iw) = NO2_QUANT(iw,i)\n ENDDO\n ENDDO\n\n REPLACE = .TRUE.\n\n CASE( 'N2O5_IUPAC04' )\n\n DO iw = 1, nw\n DO i = 1, nz\n\n tdum = MAX(195.0, MIN(tlev(i), 300.0))\n alpha = N2O5_XCROSS_EXP(iw)*(1.0/tdum - 1.0/298.0)\n sig = N2O5_XCROSS_298K(iw)\n & * EXP( alpha )\n\n sq(i,iw) = sig*QY(i,iw)\n xc(i,iw) = sig\n\n ENDDO\n ENDDO\n\n REPLACE = .TRUE.\n\n CASE( 'NO2EX' ) ! 'NO2 -> NO2(excited)'\n\n DO iw = 1, nw\n DO i = 1, nz\n\n sq(i, iw) = NO2_XCROSS(iw,i)\n & * (1.0 - NO2_QUANT(iw,i))\n xc(i, iw) = NO2_XCROSS(iw,i)\n qy(i, iw) = 1.0 - NO2_QUANT(iw,i)\n\n ENDDO\n ENDDO\n\n REPLACE = .TRUE.\n\n CASE( 'HNO4-06' ) ! 'HNO4 -> HO2 + NO2'\n\n DO iw = 1, nw\n DO i = 1, nz\n qdum = 1.0\n qy(i, iw) = qdum\n if(HO2NO2_XCROSS_A1(iw).gt. 0.0\n & .and. HO2NO2_XCROSS_A2(iw) .gt. 0.0)then\n tdum = 1.0+EXP(-988.0/(0.69*tlev(i)))\n sq(i, iw) = (HO2NO2_XCROSS_A1(iw)/tdum\n & + HO2NO2_XCROSS_A2(iw)*(1.0-1.0/tdum))\n & * qdum\n xc(i, iw) = (HO2NO2_XCROSS_A1(iw)/tdum\n & + HO2NO2_XCROSS_A2(iw)*(1.0-1.0/tdum))\n else\n sq(i, iw) = HO2NO2_XCROSS_296K(iw)*qdum\n xc(i, iw) = HO2NO2_XCROSS_296K(iw)\n endif\n ENDDO\n ENDDO\n\n REPLACE = .TRUE.\n\n CASE( 'NO3NO-06') ! 'NO3 -> NO + O2'\n\n \n\n DO iw = 1, nw\n DO i = 1, nz\n tdum = (1.0-exp(-1096.4/tlev(i))\n & - 2.0*exp(-529.5/tlev(i)))\n & / (1.0-exp(-1096.4/298.0)\n & - 2.0*exp(-529.5/298.0))\n sq(i, iw) = NO3_XCROSS_06(iw)*tdum*QYNO3_NO(iw,i)\n xc(i, iw) = NO3_XCROSS_06(iw)*tdum\n qy(i, iw) = QYNO3_NO(iw,i)\n qy(i, iw) = MIN(1.0, qy(i, iw))\n qy(i, iw) = MAX(0.0, qy(i, iw))\n ENDDO\n ENDDO\n\n\n REPLACE = .TRUE.\n\n CASE( 'CLONO2-2' ) ! 'ClONO2 -> Cl + NO3'\n\n DO iw = 1, nw\n DO iz = 1, nz\n sq(iz, iw) = CLONO2_XCROSS(iw,iz)*qy(iz,iw)\n xc(iz, iw) = CLONO2_XCROSS(iw,iz)\n ENDDO\n ENDDO\n\n REPLACE = .TRUE.\n\n CASE( 'CLONO2-1' ) ! 'ClONO2 -> ClO + NO2'\n\n DO iw = 1, nw\n DO iz = 1, nz\n sq(iz, iw) = CLONO2_XCROSS(iw,iz)*qy(iz,iw)\n xc(iz, iw) = CLONO2_XCROSS(iw,iz)\n ENDDO\n ENDDO\n\n\n REPLACE = .TRUE.\n\n CASE( 'CCHO_R' ) ! 'CH3CHO -> CH3 + HCO'\n\n DO iw = 1, nw\n DO i = 1, nz\n qdum = qy(i,iw) \n & * (1. + CCHO_YIELD_COEFF(iw))\n & / (1. + CCHO_YIELD_COEFF(iw)*dens(i)/2.465E19)\n sq(i, iw) = xc(i,iw)*qdum\n qy(i, iw) = qdum\n qy(i, iw) = MIN(1.0, qy(i, iw))\n qy(i, iw) = MAX(0.0, qy(i, iw))\n\n ENDDO\n ENDDO\n\n REPLACE = .TRUE.\n\n\n CASE( 'PAN' ) ! 'PAN + hv -> PRODUCTS'\n\n qdum = 1.0\n\n DO iw = 1, nw\n DO i = 1, nz\n sig = PAN_XCROSS(iw) \n & * EXP(PAN_XCROSS_B(iw)*(tlev(i)-298.0))\n sq(i, iw) = sig*qdum\n xc(i, iw) = sig\n ENDDO\n ENDDO\n\n\n REPLACE = .TRUE.\n\n CASE( 'C2CHO' ) ! 'C2H5CHO -> C2H5 + HCO'\n\n DO iw = 1, nw\n DO i = 1, nz\n IF (qy(i,iw) .LT. 1.0E-5) THEN\n qdum = 0.0\n ELSE\n qdum = 1.0\n & / (1.0 + (1.0/qy(i,iw) - 1.0)\n & * dens(i)/2.465e19)\n ENDIF\n qdum = MIN(qdum,1.0)\n sq(i, iw) = xc(i,iw)*qdum\n qy(i, iw) = qdum\n qy(i, iw) = MIN(1.0, qy(i, iw))\n qy(i, iw) = MAX(0.0, qy(i, iw))\n\n ENDDO\n ENDDO\n\n\n REPLACE = .TRUE.\n\n CASE( 'NO3NO2-6') ! 'NO3 -> NO2 + O(3P)'\n\n DO iw = 1, nw\n DO i = 1, nz\n tdum = (1.0-exp(-1096.4/tlev(i))\n & - 2.0*exp(-529.5/tlev(i)))\n & / (1.0-exp(-1096.4/298.0)\n & - 2.0*exp(-529.5/298.0))\n sq(i, iw) = NO3_XCROSS_06(iw)*tdum*QYNO3_NO2(iw,i)\n xc(i, iw) = NO3_XCROSS_06(iw)*tdum\n qy(i, iw) = QYNO3_NO2(iw,i)\n qy(i, iw) = MIN(1.0, qy(i, iw))\n qy(i, iw) = MAX(0.0, qy(i, iw))\n ENDDO\n ENDDO\n\n REPLACE = .TRUE.\n\n CASE( 'HNO3' )\n\n DO iw = 1, nw\n DO iz = 1, nz\n\nC IF((wc(iw) .GT. 192.0) .AND. (wc(iw) .LT. 350.))THEN\n\n sig = HNO3_XCROSS_298K(iw)\n & * EXP(HNO3_XCROSS_EXP(iw)*(tlev(iz)-298.0))\n\nC ELSE\n\nC sig = xc(i,iw)\n\nC ENDIF\n\nC assume quantum yield equal to one \n\n sq(iz, iw) = sig*qy(iz,iw)\n xc(iz, iw) = sig\n\n ENDDO\n ENDDO\n\n\n REPLACE = .TRUE.\n\n CASE( 'MVK-06')\n\nC quantum yield from\nC Gierczak, T., J. B. Burkholder, R. K. Talukdar, A. Mellouki, S. B. Barone,\nC and A. R. Ravishankara, Atmospheric fate of methyl vinyl ketone and methacrolein,\nC J. Photochem. Photobiol A: Chemistry, 110 1-10, 1997.\nC depends on pressure and wavelength, set upper limit to 1.0\nC However, chamber evaluations for SAPRC07T require a pressure correction where\nC number density coefficient is five times higher.\n DO iw = 1, nw\n DO i = 1, nz\n\n qdum = exp(-0.055*(wc(iw)-308.)) / \n & (5.5 + 5.0*9.2e-19*dens(i))\n qdum = min(qdum, 1.0)\n sq(i, iw) = xc(i,iw)* qdum\n qy(i, iw) = qdum\n qy(i, iw) = MIN(1.0, qy(i, iw))\n qy(i, iw) = MAX(0.0, qy(i, iw))\n\n ENDDO\n ENDDO\n\n\n REPLACE = .TRUE.\n\n CASE( 'MACR-06')\n\nC quantum yield based on 2.76 times MVK from\nC Gierczak, T., J. B. Burkholder, R. K. Talukdar, A. Mellouki, S. B. Barone,\nC and A. R. Ravishankara, Atmospheric fate of methyl vinyl ketone and methacrolein,\nC J. Photochem. Photobiol A: Chemistry, 110 1-10, 1997.\nC depends on pressure and wavelength, set upper limit to 1.0\nC However, chamber evaluations for SAPRC07T require a pressure correction where\nC number density coefficient is five times higher.\n DO iw = 1, nw\n DO i = 1, nz\n qdum = 2.76*exp(-0.055*(wc(iw)-308.)) / \n & (5.5 + 5.0*9.2e-19*dens(i))\n qdum = min(qdum, 1.0)\n sq(i, iw) = xc(i,iw)* qdum\n qy(i, iw) = qdum\n qy(i, iw) = MIN(1.0, qy(i, iw))\n qy(i, iw) = MAX(0.0, qy(i, iw))\n\n ENDDO\n ENDDO\n\n\n REPLACE = .TRUE.\n\n CASE( 'MEK-06')\nC Quantum Yields from \nC Raber, W.H. (1992) PhD Thesis, Johannes Gutenberg-Universitaet, Mainz, Germany.\nC other channels assumed negligible (less than 10%).\nC Total quantum yield = 0.38 at 760 Torr. but Carter\nC adjusts to 0.175 based on chamber tests and sets the values in\nC mechanism definition file.\nC NOTE: SAPRC07T includes this quantum yield in the mechanism definition\nC file as factor times the photolysis rates where the quantum yield is \nC set one.\n\nC Stern-Volmer form given: 1/phi = 0.96 + 2.22e-3*P(torr)\nC compute local pressure in torr\n DO iw = 1, nw\n DO i = 1, nz\n! ptorr = (760.*dens(i)/2.69e19)\n! ptorr = (1.03547E-19*dens(i)*tlev(i))\n PRESSURE = (1.03547E-19*dens(i)*tlev(i)) ! torr \n! sig = 1.0 ! (0.96 + 2.22E-3*760.0)\n! & / (0.96 + 2.22E-3*(1.03547E-19*dens(i)*tlev(i)))\n \n IF( PRESSURE .LT. 181.0 )THEN \n qdum = 1.0\n sig = 2.645\n & / (0.96 + 2.22E-3*(181.0))\n ELSE\n sig = 2.645\n & / (0.96 + 2.22E-3*PRESSURE)\n qdum = 1.0\n & / (0.96 + 2.22E-3*PRESSURE)\n ENDIF\nC sig = MIN(sig, 1.0)/2.649078\n sq(i, iw) = xc(i,iw)* sig\n qy(i, iw) = sig\n qy(i, iw) = MIN(1.0, qy(i, iw))\n qy(i, iw) = MAX(0.0, qy(i, iw))\n\n ENDDO\n ENDDO\n\n REPLACE = .TRUE.\n\n CASE( 'H2O2')\n\n*= Provide cross section and quantum yield for H2O2 photolysis =*\n*= H2O2 + hv -> 2 OH between 260 and 350 nm =*\n*= Otherwise use Cross section from JPL97, tabulated values @ 298K \n*= Quantum yield: Assumed to be unity =*\n\n DO i = 1, nz\n DO iw = 1, nw\n qdum = qy(i,iw)\n \n IF(wc(iw) .GE. 260.0 .AND. wc(iw) .LT. 350.0) THEN\n CALL JH2O2_260t350nm(wc(iw),tlev(i),dens(i),\n & sig,qdum)\n xc(i, iw) = sig\n ELSE\n sig = xc(i,iw)\n ENDIF\n sq(i, iw) = sig*qdum\n\n\n IF(WC(IW) .GE. 260.0 .AND. WC(IW) .LE. 350.0)THEN \n CHI = 1.0\n & / (1.0 + EXP(-1265.0/MAX(200.0, MIN(TLEV(I),400.0))) )\n SIG = CHI*H2O2_XCROSS_A(IW)\n & + (1.0 - CHI)*H2O2_XCROSS_B(IW)\n\n XC(I, IW) = SIG\n\n ELSE\n\n SIG = XC(I, IW)\n\n ENDIF\n\n SQ(I, IW) = XC(I, IW)*QDUM\n\n ENDDO\n ENDDO\n\n REPLACE = .TRUE.\n\n CASE( 'MGLY-06' , 'BACL-07')\n\n DO iw = 1, nw\nC qy(i,iw) = MIN( qy(i,iw), 1.0)\nC qy(i,iw) = MAX( qy(i,iw), 0.0)\n\n DO i = 1, nz\n\n PRESSURE = (1.03547E-19*dens(i)*tlev(i)) ! torr \n PRESSURE = MIN(472.0, PRESSURE)\n qy(i,iw) = MIN( qy(i,iw), 1.0)\n qy(i,iw) = MAX( qy(i,iw), 0.0)\n\nC Pressure dependence based on Koch and Moortgat (1998), \nC J. Phys. Chem. A, vol 102, pages 9142. The application contradicts\nC NASA (2006) & IUPAC (2005) and is used based recommendations for\nC SAPRC07T photolysis rates by William Carter (2009)\n\n IF(wc(iw) .LT. 500.0 .AND. wc(iw) .GT. 240.0)THEN\n IF( qy(i,iw) .GT. 0.0 .AND. qy(i,iw) .LT. 1.0)THEN\n qdum = 1.36e8*(472.0)*EXP(-8793/wc(iw))\n & / ( 1.0/qy(i,iw) - 1.0 )\n sig = qdum\n & /(qdum+1.36e8*EXP(-8793/wc(iw))*PRESSURE)\n ENDIF\n ELSEIF(wc(iw) .LE. 240.0)THEN\n sig = qy(i,iw)\n ELSEIF(wc(iw) .GE. 500.0)THEN\n sig = 0.0\n ENDIF\n\nC sig = qy(i,iw)\n sq(i, iw) = xc(i,iw)*sig \n qy(i, iw) = sig\n qy(i, iw) = MIN(1.0, qy(i, iw))\n qy(i, iw) = MAX(0.0, qy(i, iw))\n\n ENDDO\n ENDDO\n\n\n REPLACE = .TRUE.\n\n CASE( 'ACRO-09')\n\n DO iw = 1, nw\n\n DO i = 1, nz\n\n qy(i,iw) = MIN( qy(i,iw), 1.0)\n qy(i,iw) = MAX( qy(i,iw), 0.0)\n\nC Number density dependence based on Gardner et. al (1997), \nC J. Phys. Chem., vol 91, pages 1922. The application uses\nC the quantum yields set in in cross-section file. For \nC SAPRC07T, yields set approximation four times NASA (2006)\nC because the mechanism developer sums over all possible channels and\nC Gardner et. al may support this conclusion. \n\n IF(dens(i) .ge. 8.0e+17)THEN\n qdum = (4.0E-3+1.0/(8.6E-2+1.613E-17*dens(i)))\n & / 0.006384\n ELSEIF(dens(i) .lt. 8.0e+17)THEN\n qdum = 12.00713\n ENDIF\n\n sig = qy(i,iw)*qdum\n\n sq(i, iw) = xc(i,iw)*sig \n qy(i, iw) = sig\n qy(i, iw) = MIN(1.0, qy(i, iw))\n qy(i, iw) = MAX(0.0, qy(i, iw))\n\n ENDDO\n ENDDO\n\n REPLACE = .TRUE.\n\n CASE( 'HCHOR-06') ! 'CH2O -> H + HCO' \n\n\n\n DO iw = 1, nw\n DO iz = 1, nz\n\n sig = HCHO_XCROSS_300K(iw) \n if(tlev(iz) .lt. 300.0 .and. tlev(iz) .gt. 195.0)then\n sig = sig + HCHO_XCROSS_A(iw)*(tdum-300.0)\n elseif( tlev(iz) .le. 195.0)then\n sig = sig - HCHO_XCROSS_A(iw)*105.0\n endif\n sq(iz, iw) = sig*HCHO_QUANTR_STP(iw)\n xc(iz, iw) = HCHO_XCROSS(iw,iz)\n qy(iz, iw) = HCHO_QUANTR_STP(iw)\n ENDDO\n ENDDO\n\n\n REPLACE = .TRUE.\n\n CASE( 'HCHOM-06') ! 'CH2O -> H2 + CO'\n\n DO iw = 1, nw\n DO iz = 1, nz\n sig = HCHO_XCROSS_300K(iw) \n if(tlev(iz) .lt. 300.0 .and. tlev(iz) .gt. 195.0)then\n sig = sig + HCHO_XCROSS_A(iw)*(tdum-300.0)\n elseif( tlev(iz) .le. 195.0)then\n sig = sig - HCHO_XCROSS_A(iw)*105.0\n endif\n sq(iz, iw) = HCHO_XCROSS(iw,iz)*HCHO_QUANTM(iw,iz)\n xc(iz, iw) = HCHO_XCROSS(iw,iz)\n qy(iz, iw) = HCHO_QUANTM(iw,iz)\n\n if(WC(IW) .GE. 330.0 .AND. HCHO_QUANTM_STP(IW) .GT. 0.0)THEN\n\n QDUM = 1.0/HCHO_QUANTM_STP(IW)\n BETA = 1.0/(1.0-HCHO_QUANTR_STP(IW))\n\n if( tlev(iz) .lt. 300.0 .and. tlev(iz) .gt. 220.0)then\n PRESSURE = 82.06*(DENS(iz)/6.02E+23)*tlev(iz)\n ALPHA = (QDUM - BETA)\n & * (1.+0.05*(WC(IW)-329.0)*((tlev(iz)-80.0)/80.0)) \n elseif( tlev(iz) .le. 220.0)then\n PRESSURE = 3.0E-20*DENS(iz)\n ALPHA = (QDUM - BETA) \n & * (1.+0.0875*(WC(IW)-329.0))\n elseif( tlev(iz) .ge. 300.)then\n PRESSURE = 4.09E-20*DENS(iz)\n ALPHA = (QDUM - BETA)\n & * (1.+0.1375*(WC(IW)-329.0))\n endif\n\n qy(iz, iw) = 1.0/(BETA + PRESSURE*ALPHA)\n\n ELSE\n\n qy(iz, iw) = HCHO_QUANTM_STP(iw)\n\n ENDIF\n qy(iz, iw) = MIN(1.0, qy(iz, iw))\n qy(iz, iw) = MAX(0.0, qy(iz, iw))\n sq(iz, iw) = sig*qy(iz, iw)\n\n ENDDO\n ENDDO\n\n REPLACE = .TRUE.\n\n CASE( 'O3O1D-06') ! 'O3 -> O2 + O(1D)'\n\n DO iw = 1, nw\n DO iz = 1, nz\n sq(iz, iw) = O3_XCROSS(iw,iz)*O3_QUANT(iw,iz)\n xc(iz, iw) = O3_XCROSS(iw,iz)\n qy(iz, iw) = O3_QUANT(iw,iz)\n print*,iw,O3_XCROSS(iw,iz),O3_QUANT(iw,iz)\n ENDDO\n ENDDO\n\n\n REPLACE = .TRUE.\n\n CASE( 'O3O3P-06') ! 'O3 -> O2 + O(3P)'\n\n DO iw = 1, nw\n DO iz = 1, nz\n sq(iz, iw) = O3_XCROSS(iw,iz)\n & * (1.0 - O3_QUANT(iw,iz))\n xc(iz, iw) = O3_XCROSS(iw,iz)\n qy(iz, iw) = 1.0 - O3_QUANT(iw,iz)\n ENDDO\n ENDDO\n\n\n REPLACE = .TRUE.\n\n CASE( 'ACET-06' ) ! 'CH3COCH3 -> products'\n\n DO iw = 1, nw\n DO iz = 1, nz\n\n sig = (XC_D_ACETONE(IW)\n & + XC_A_ACETONE(IW)*tlev(iz)\n & + XC_B_ACETONE(IW)*tlev(iz)**2\n & + XC_C_ACETONE(IW)*tlev(iz)**3)\n & * XCROSS_ACETONE_298K( IW )\n\n sig = XCROSS_ACETONE_298K( IW )\n\n qdum = QY_ACETONE(tlev(iz),dens(iz),wc(iw))\n\n sq(iz, iw) = sig*qdum\n xc(iz, iw) = sig\n qy(iz, iw) = qdum\n qy(iz, iw) = MIN(1.0, qy(iz, iw))\n qy(iz, iw) = MAX(0.0, qy(iz, iw))\n\n\n ENDDO\n ENDDO\n\n REPLACE = .TRUE.\n\n CASE( 'CL2')\n\n! NASA (2006) and IUPAC(2005) recommended cross-section as a function of\n! wavelength and temperature taken from\n! D. Maric et al. (1993) J. Photochem. Photobiol. A: Chem. 70, 205.\n\n DO iw = 1, nw\n DO iz = 1, nz\n\n tdum = tlev(iz)\n if(tlev(iz) .gt. 300.0)then\n tdum = 300.0\n elseif(tlev(iz) .lt. 195.0)then\n tdum = 195.0\n else\n tdum = tlev(iz)\n endif \n\n alpha = TANH(470.676/tdum)\n if(wc(iw) .gt. 550.0)then\n sig = 0.0\n elseif(wc(iw) .lt. 250.0)then\n sig = 0.0\n else\n wdum = wc(iw)\n sig = sqrt(alpha)\n & * (27.3 *exp(-99.0*alpha*(log(329.5/wdum))**2)\n & + 0.932*exp(-91.5*alpha*(log(406.5/wdum))**2))\n endif \n\n! IUPAC (2005) and NASA (2006) recommend quantum yield equal to one when\n! cross-section is nonzero\n\n sq(iz, iw) = 1.0E-20*sig\n xc(iz, iw) = 1.0E-20*sig\n\n ENDDO\n ENDDO\n\n\n REPLACE = .TRUE.\n\n CASE DEFAULT\n\n DO iw = 1, nw\n DO iz = 1, nz\n sq(iz, iw) = xc(iz,iw)*qy(iz,iw)\n ENDDO\n ENDDO\n\n REPLACE = .FALSE.\n\n END SELECT \n\n \nC DO iw = 1, nw\nC DO iz = 1, nz\nC sq(iz, iw) = xc(iz,iw)*qy(iz,iw)\nC ENDDO\nC ENDDO\n \n \n FIRSTCALL = .FALSE.\n\n****************************************************************\n\n RETURN\n END\nC\n FUNCTION OZONE_YIELD(W, T)\n*-----------------------------------------------------------------------------*\n*= taken from Tropospheric Ultraviolet-Visible (TUV) radiation model =*\n*= Version 4.5 =*\n*= Sep 2007 =*\n*-----------------------------------------------------------------------------*\n*= PURPOSE: =*\n* function to calculate the quantum yield O3 + hv -> O(1D) + O2, =*\n* according to: \n* Matsumi, Y., F. J. Comes, G. Hancock, A. Hofzumanhays, A. J. Hynes,\n* M. Kawasaki, and A. R. Ravishankara, QUantum yields for production of O(1D)\n* in the ultraviolet photolysis of ozone: Recommendation based on evaluation\n* of laboratory data, J. Geophys. Res., 107, 10.1029/2001JD000510, 2002.\n*-----------------------------------------------------------------------------*\n*= TUV model developed by Sasha Madronich with important contributions from: =*\n*= Chris Fischer, Siri Flocke, Julia Lee-Taylor, Bernhard Meyer, =*\n*= Irina Petropavlovskikh, Xuexi Tie, and Jun Zen. =*\n*= To contact the author, write to: =*\n*= Sasha Madronich, NCAR/ACD, P.O.Box 3000, Boulder, CO, 80307-3000, USA or =*\n*= send email to: sasha@ucar.edu or tuv@acd.ucar.edu =*\n*-----------------------------------------------------------------------------*\n*= This program is free software; you can redistribute it and/or modify =*\n*= it under the terms of the GNU General Public License as published by the =*\n*= Free Software Foundation; either version 2 of the license, or (at your =*\n*= option) any later version. =*\n*= The TUV package is distributed in the hope that it will be useful, but =*\n*= WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTIBI- =*\n*= LITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public =*\n*= License for more details. =*\n*= To obtain a copy of the GNU General Public License, write to: =*\n*= Free Software Foundation, Inc., 675 Mass Ave, Cambridge, MA 02139, USA. =*\n*-----------------------------------------------------------------------------*\n*= Copyright (C) 1994,95,96,97,98,99,2000,01,02,03, 04, 05, 06, 07 =*\n*= by the University Corporation for Atmospheric Research =*\n*-----------------------------------------------------------------------------*\n IMPLICIT NONE\n\n REAL W ! wavelength, nm\n REAL T ! temperature, deg K\n REAL OZONE_YIELD ! dimensionaless\n\nC local variables\n\n REAL KT\n REAL A(3), X(3), OM(3)\n REAL Q1, Q2 \n\n DATA A/ 0.8036, 8.9061, 0.1192/\n DATA X/ 304.225, 314.957, 310.737/\n DATA OM/ 5.576, 6.601, 2.187/\n \n OZONE_YIELD = 0.0\n KT = 0.695 * T\n Q1 = 1.0\n Q2 = EXP(-825.518/KT)\n \n IF(W .LE. 305.0) THEN\n OZONE_YIELD = 0.90\n ELSEIF(W .GT. 305.0 .AND. W .LE. 328.0) THEN\n\n OZONE_YIELD = 0.0765 + \n & A(1)* (Q1/(Q1+Q2))*EXP(-((X(1)-W)/OM(1))**4.0)+ \n & A(2)*(T/300.)**2.0*(Q2/(Q1+Q2))*EXP(-((X(2)-W)/OM(2))**2.0)+\n & A(3)*(T/300.)**1.5 *EXP(-((X(3)-W)/OM(3))**2.0)\n\n ELSEIF(W .GT. 328.0 .AND. W .LE. 340.0) THEN\n OZONE_YIELD = 0.08\n ELSEIF(W .GT. 340.) THEN\n OZONE_YIELD = 0.0\n ENDIF\n\n END\n\n*=============================================================================*\n\n SUBROUTINE JH2O2_260T350NM(WC,TEMP,AIRDEN,XCROSS,QUANT)\n*-----------------------------------------------------------------------------*\n*= taken from Tropospheric Ultraviolet-Visible (TUV) radiation model =*\n*= Version 4.5 =*\n*= Sep 2007 =*\n*-----------------------------------------------------------------------------*\n*= PURPOSE: =*\n*= Provide cross section and quantum yield for H2O2 photolysis =*\n*= H2O2 + hv -> 2 OH between 260 and 350 nm =*\n*= Otherwise use Cross section from JPL97, tabulated values @ 298K \n*= Quantum yield: Assumed to be unity =*\n*-----------------------------------------------------------------------------*\n*= PARAMETERS: =*\n*= WC - REAL, center points of wavelength interval (I)=*\n*= TLEV - REAL, temperature (K) at altitude level (I)=*\n*= AIRDEN - REAL, air density (molec/cc) at altitude level (I)=*\n*= xcross - cross section (cm^2) for each (IO)=*\n*= photolysis reaction defined, at input wavelength and =*\n*= at defined altitude level =*\n*= quant - quantum yield for each (IO)=*\n*= photolysis reaction defined, at input wavelength and =*\n*= at defined altitude level =*\n*= JLABEL - CHARACTER*50, string identifier for each photolysis reaction (L)=*\n*= defined =*\n*-----------------------------------------------------------------------------*\n\n IMPLICIT NONE\n\n! input\n\n INTEGER NW\n REAL WC\n \n INTEGER NZ\n\n REAL TEMP\n REAL AIRDEN\n\n! weighting functions\n\n CHARACTER(50) JLABEL\n REAL XCROSS,QUANT\n\n! local\n\n REAL YG\n REAL QY\n REAL A0, A1, A2, A3, A4, A5, A6, A7\n REAL B0, B1, B2, B3, B4\n REAL XS\n REAL T\n INTEGER I, IW, N, IDUM\n INTEGER IERR\n REAL LAMBDA\n REAL SUMA, SUMB, CHI\n\n**************** H2O2 photodissociation\n\n! cross section from Lin et al. 1978\n\n JLABEL = 'H2O2 ' ! 'H2O2 -> 2 OH'\n! quantum yield = 1\n\n\n QY = 1.0\n XS = 0.0\n \n! Parameterization (JPL06)\n\n A0 = 6.4761E+04 \n A1 = -9.2170972E+02 \n A2 = 4.535649 \n A3 = -4.4589016E-03 \n A4 = -4.035101E-05 \n A5 = 1.6878206E-07\n A6 = -2.652014E-10\n A7 = 1.5534675E-13\n\n B0 = 6.8123E+03\n B1 = -5.1351E+01\n B2 = 1.1522E-01\n B3 = -3.0493E-05\n B4 = -1.0924E-07\n\n! Range 260-350 nm; 200-400 K\n\n IF ((WC .GE. 260.) .AND. (WC .LT. 350.)) THEN\n\n LAMBDA = WC\n SUMA = ((((((A7*LAMBDA + A6)*LAMBDA + A5)*LAMBDA + \n & A4)*LAMBDA +A3)*LAMBDA + A2)*LAMBDA + \n & A1)*LAMBDA + A0\n SUMB = (((B4*LAMBDA + B3)*LAMBDA + B2)*LAMBDA + \n & B1)*LAMBDA + B0\n\n! sumA = 1.5534675E-13*lambda**7.0 - 2.652014E-10*lambda**6.0 \n! & + 1.6878206E-07*lambda**5.0 - 4.035101E-05*lambda**4.0\n! & - 4.4589016E-03*lambda**3.0 + 4.535649E+00*lambda**2.0 \n! & - 9.2170972E+02*lambda + 6.4761E+04\n\n! sumB = -1.0924E-07*lambda**4.0 - 3.0493E-05*lambda**3.0 \n! & + 1.1522E-01*lambda**2.0 - 5.1351E+01*lambda \n! & + 6.8123E+03\n\n T = MIN(MAX(TEMP,200.),400.) \n CHI = 1./(1.+EXP(-1265./T))\n XS = (CHI * SUMA + (1.-CHI)*SUMB)*1E-21\n\n ENDIF\n\n XCROSS = XS\n QUANT = QY\n\n RETURN\n END\n\n\n SUBROUTINE JHCHO_NASA_2006(NW, WC, NZ, TLEV, AIRDEN, XCROSS, QUANTR, QUANTM)\n\n*-----------------------------------------------------------------------------*\n*= PURPOSE: =*\n*= Provide cross section and quantum yields for CH2O photolysis =*\n*= (a) CH2O + hv -> H + HCO =*\n*= (b) CH2O + hv -> H2 + CO =*\n*= Based on recommendations from NASA JPL (2006) \n*-----------------------------------------------------------------------------*\n*= PARAMETERS: =*\n*= NW - INTEGER, number of specified intervals + 1 in working (I)=*\n*= wavelength grid =*\n*= WL - REAL, vector of lower limits of wavelength intervals in (I)=*\n*= working wavelength grid =*\n*= WC - REAL, vector of center points of wavelength intervals in (I)=*\n*= working wavelength grid =*\n*= NZ - INTEGER, number of altitude levels in working altitude grid (I)=*\n*= TLEV - REAL, temperature (K) at each specified altitude level (I)=*\n*= AIRDEN - REAL, air density (molec/cc) at each altitude level (I)=*\n*= J - INTEGER, counter for number of weighting functions defined (IO)=*\n*= SQ - REAL, cross section x quantum yield (cm^2) for each (O)=*\n*= photolysis reaction defined, at each defined wavelength and =*\n*= at each defined altitude level =*\n*= JLABEL - CHARACTER*50, string identifier for each photolysis reaction (O)=*\n*= defined =*\n*-----------------------------------------------------------------------------*\n\n USE JPROC_PHOT_DATA\n\n IMPLICIT NONE\n\n INTEGER KDATA\n PARAMETER(KDATA=16000)\n\n! input\n INTEGER NW\n REAL WL(KW), WC(KW)\n \n INTEGER NZ\n\n REAL TLEV(KZ)\n REAL AIRDEN(KZ)\n\n! weighting functions\n\n CHARACTER(50) JLABEL(3)\n REAL XCROSS(KW,KZ)\n REAL QUANTR(KW,KZ), QUANTM(KW,KZ)\n\n! input/output:\n\n INTEGER J, IZ, IW\n\n! data arrays\n\n INTEGER N\n REAL X(KDATA), Y(KDATA)\n REAL XL(KDATA), XC(KDATA), XU(KDATA)\n INTEGER N1, N2, N3, N4, N5\n REAL X1(KDATA), X2(KDATA), X3(KDATA), X4(KDATA), X5(KDATA)\n REAL Y1(KDATA), Y2(KDATA), Y3(KDATA), Y4(KDATA), Y5(KDATA)\n\n! local\n\n REAL YG(KW), YG1(KW), YG2(KW), YG3(KW), YG4(KW), YG5(KW)\n REAL A, B, C\n REAL A0, A1, A2, A3, A4, A5, A6, A7\n REAL B0, B1, B2, B3, B4\n REAL QY, QY1, QY2, QY3\n\n REAL SIGMA, SIG, SLOPE\n REAL XS\n REAL T\n REAL DUM\n INTEGER IDUM\n\n INTEGER I\n INTEGER IROW, ICOL, IREV\n INTEGER IERR\n\n INTEGER MOPT1, MOPT2\n\n CHARACTER(LEN=120) :: FILE_LINE\n LOGICAL EXISTS\n REAL WU(KW)\n REAL PRESSURE\n REAL PHI1, PHI2, PHI20, AK300, AKT\n REAL TDUM\n\n LOGICAL :: FIRSTCALL = .TRUE.\n\n\n! HCHO photodissociatation\n\n J = 1\n JLABEL(J) = 'HCHOR-06 ' ! 'CH2O -> H + HCO' \n\n J = J+1\n JLABEL(J) = 'HCHOM-06 ' ! 'CH2O -> H2 + CO'\n\n! compute upper limit of wavelength bins\n DO I = 1, NW\n WU(I) = 2.0*WC(I) - WL(I)\n ENDDO\n\n\n N = 150\n\n YG1 = 1.0E-20*YG1\n YG2 = 1.0E-24*YG2\n\n N = 112\n \n IF( FIRSTCALL )THEN\n\n! FIRSTCALL = .false.\n\n \n \n DO IW = 1, NW\nC write(6,'(i3,1X,f6.2,6(1x,es12.4))')iw,wc(iw), ! sig,qy1,qy2,\nC & HCHO_XC_300K(iw) ,HCHO_QUANTR_STP(iw),HCHO_QUANTM_STP(iw)\n\n TDUM = 265.0\n SIG = HCHO_XCROSS_300K(IW) \n IF(TDUM .LT. 300.0 .AND. TDUM .GT. 195.0)THEN\n SIG = SIG + HCHO_XCROSS_A(IW)*(TDUM-300.0)\n ELSEIF( TLEV(I) .LE. 195.0)THEN\n SIG = SIG - HCHO_XCROSS_A(IW)*105.0\n ENDIF\n \n QY1 = HCHO_QUANTR_STP(IW)\n IF ( (WC(IW) .GE. 330.) .AND. (HCHO_QUANTM_STP(IW) .GT. 0.) ) THEN\n PHI1 = HCHO_QUANTR_STP(IW)\n PHI2 = HCHO_QUANTM_STP(IW)\n PHI20 = 1. - PHI1\n AK300=((1./PHI2)-(1./PHI20)) ! IS DIVIDED BY 1 ATM\n IF( TDUM .LT. 300.0 .AND. TDUM .GT. 220.0)THEN\n PRESSURE = 82.06*(AIRDEN(I)/6.02E+23)*TDUM\n AKT = AK300\n & * (1.+0.05*(WC(IW)-329.0)*((TDUM-80.0)/80.0))\n ELSEIF( TDUM .LE. 220.0)THEN\n PRESSURE = 3.0E-20*AIRDEN(I)\n AKT = AK300\n & * (1.+0.0875*(WC(IW)-329.0))\n ELSEIF( TDUM .GE. 300)THEN\n PRESSURE = 4.09E-20*AIRDEN(I)\n AKT = AK300\n & * (1.+0.1375*(WC(IW)-329.0))\n ENDIF\nC PRINT*,PRESSURE, AIRDEN(I)/2.54E+19\nC PAUSE\n\n QY2 = 1. / ( (1./PHI20) + PRESSURE*AKT)\n\n ELSE\n QY2 = HCHO_QUANTM_STP(IW)\n ENDIF\n \n QY2 = MAX(0.0,QY2)\n QY2 = MIN(1.0,QY2)\n\nC WRITE(6,'(I3,1X,F6.2,6(1X,ES12.4))')IW,WC(IW),SIG,QY1,QY2,\nC & HCHO_XCROSS_300K(IW),HCHO_QUANTR_STP(IW),\nC & HCHO_QUANTM_STP(IW)\n\n ENDDO\n\n ENDIF\n\n DO IW = 1, NW\n DO I = 1, NZ\n! cross-section correction\n SIG = HCHO_XCROSS_300K(IW) \n IF(TLEV(I) .LT. 300.0 .AND. TLEV(I) .GT. 195.0)THEN\n SIG = SIG + HCHO_XCROSS_A(IW)*(TLEV(I)-300.0)\n ELSEIF( TLEV(I) .LE. 195.0)THEN\n SIG = SIG - HCHO_XCROSS_A(IW)*105.0\n ENDIF\n! corrections to quantum yields\n QY1 = HCHO_QUANTR_STP(IW)\n IF(WC(IW) .GE. 330.0 .AND. HCHO_QUANTM_STP(IW) .GT. 0.0)THEN\n PHI1 = HCHO_QUANTR_STP(IW)\n PHI2 = HCHO_QUANTM_STP(IW)\n PHI20 = 1.0 - PHI1\n AK300=((1./PHI2)-(1./PHI20)) ! IS DIVIDED BY 1 ATM\n IF(TLEV(I) .LT. 300.0 .AND. TLEV(I) .GT. 220.0)THEN\n PRESSURE = 82.06*(AIRDEN(I)/6.02E+23)*TLEV(I)\n AKT = AK300\n & * (1.+0.05*(WC(IW)-329.0)*((TLEV(I)-80.0)/80.0))\n ELSEIF(TLEV(I) .LE. 220.0)THEN\n PRESSURE = 3.0E-20*AIRDEN(I)\n AKT = AK300\n & * (1.+0.0875*(WC(IW)-329.0))\n ELSEIF(TLEV(I) .GE. 300.0)THEN\n PRESSURE = 4.09E-20*AIRDEN(I)\n AKT = AK300\n & * (1.+0.1375*(WC(IW)-329.0))\n ENDIF\n QY2 = 1.0/( 1.0/PHI20 + PRESSURE*AKT )\n ELSE\n QY2 = HCHO_QUANTM_STP(IW)\n ENDIF\n\n QY2 = MAX(0.0,QY2)\n QY2 = MIN(1.0,QY2)\n XCROSS(IW, I) = SIG\n QUANTR(IW, I) = QY1\n QUANTM(IW, I) = QY2\n\n ENDDO\n ENDDO\n\n\n RETURN\n END\n\n*=============================================================================*\n\n SUBROUTINE NASA_NO3_QUANTAS(NW,WC,NZ,TLEV,AIRDEN,QYNO3_NO,\n & QYNO3_NO2)\n\n*-----------------------------------------------------------------------------*\n*= PURPOSE: =*\n*= Provide the quantum yield for =*\n*= both channels of NO3 photolysis: =*\n*= (a) NO3 + hv -> NO2 + O(3P) =*\n*= (b) NO3 + hv -> NO + O2 =*\n*-----------------------------------------------------------------------------*\n*= PARAMETERS: =*\n*= NW - INTEGER, number of specified intervals + 1 in working (I)=*\n*= wavelength grid =*\n*= WL - REAL, vector of lower limits of wavelength intervals in (I)=*\n*= working wavelength grid =*\n*= WC - REAL, vector of center points of wavelength intervals in (I)=*\n*= working wavelength grid =*\n*= NZ - INTEGER, number of altitude levels in working altitude grid (I)=*\n*= TLEV - REAL, temperature (K) at each specified altitude level (I)=*\n*= AIRDEN - REAL, air density (molec/cc) at each altitude level (I)=*\n*= J - INTEGER, counter for number of weighting functions defined (IO)=*\n*= SQ - REAL, cross section x quantum yield (cm^2) for each (O)=*\n*= photolysis reaction defined, at each defined wavelength and =*\n*= at each defined altitude level =*\n*= JLABEL - CHARACTER*50, string identifier for each photolysis reaction (O)=*\n*= defined =*\n*-----------------------------------------------------------------------------*\n\n USE JPROC_PHOT_DATA\n\n IMPLICIT NONE\n\nC INCLUDE 'params'\n\n! input\n\n INTEGER NW\n REAL WL(KW), WC(KW), WU(KW)\n \n INTEGER NZ\n\n REAL TLEV(KZ)\n REAL AIRDEN(KZ)\n\n! weighting functions\n\n CHARACTER*50 JLABEL(3)\n REAL SQ(1,KZ,KW)\n\n! input/output:\n INTEGER J\n\n! data arrays\n\n INTEGER KDATA\n PARAMETER(KDATA=350)\n\n REAL X1(KDATA)\n REAL Y1(KDATA),Y2(KDATA),Y3(KDATA)\n REAL Z1(KDATA),Z2(KDATA),Z3(KDATA)\n REAL QY1(KDATA),QY2(KDATA)\n REAL SLOPE\n\n! local\n\n REAL YG(KW), YG1(KW), YG2(KW)\n REAL TEMP_ADJ(KZ)\n REAL QYNO3_NO2(KW,KZ),QYNO3_NO(KW,KZ)\n REAL QY\n INTEGER IROW, ICOL\n INTEGER I, IW, N, IDUM\n INTEGER IERR\n INTEGER MABS\n CHARACTER(LEN=120) :: FILE_LINE\n LOGICAL :: EXISTS \n LOGICAL, SAVE :: FIRSTCALL = .TRUE.\n\n! for NO3 ->NO+O2\n J = 0\n J = J + 1\n JLABEL(J) = 'NO3NO-06 ' ! 'NO3 -> NO + O2'\n! for NO3 ->NO2+O\n J = J + 1\n JLABEL(J) = 'NO3NO2-6 ' ! 'NO3 -> NO2 + O(3P)'\n\n TEMP_ADJ = 1.0\n DO I = 1, NZ\n TEMP_ADJ(I) = (1.0-EXP(-1096.4/TLEV(I))\n & - 2.0*EXP(-529.5/TLEV(I)))\n & / (1.0-EXP(-1096.4/298.0)\n & - 2.0*EXP(-529.5/298.0))\n ENDDO\n\n DO I = 1, NW\n! compute upper limit of wavelength bins\n WU(I) = 2.0*WC(I) - WL(I)\n ENDDO\n\n DO I = 1, NZ\n DO IW = 1, NW\n QY1(IW) = NO3NO_QUANT_298K(IW)\n QY2(IW) = NO3NO2_QUANT_298K(IW)\n IF(TLEV(I) .LT. 298.0 .AND. TLEV(I) .GE. 230.0)THEN\n SLOPE = (NO3NO_QUANT_298K(IW)-NO3NO_QUANT_230K(IW))\n & / 68.0\n QY1(IW) = NO3NO_QUANT_230K(IW) + SLOPE*(TLEV(I)-230.0)\n SLOPE = (NO3NO2_QUANT_298K(IW)-NO3NO2_QUANT_230K(IW))\n & / 68.0\n QY2(IW) = NO3NO2_QUANT_230K(IW) + SLOPE*(TLEV(I)-230.0)\n ELSEIF(TLEV(I) .LT. 230.0 .AND. TLEV(I) .GE. 190.0)THEN\n SLOPE = (NO3NO_QUANT_230K(IW)-NO3NO_QUANT_190K(IW))\n & / 40.0\n QY1(IW) = NO3NO_QUANT_190K(IW) + SLOPE*(TLEV(I)-190.0)\n SLOPE = (NO3NO2_QUANT_230K(IW)-NO3NO2_QUANT_190K(IW))\n & / 40.0\n QY2(IW) = NO3NO2_QUANT_190K(IW) + SLOPE*(TLEV(I)-190.0)\n ELSEIF( TLEV(I) .LT. 190)THEN\n QY1(IW) = NO3NO_QUANT_190K(IW)\n QY2(IW) = NO3NO2_QUANT_190K(IW)\n ENDIF\n ENDDO\n\n DO IW = 1, NW\n QYNO3_NO(IW,I) = QY1(IW)*0.001\n!???ignor because the band averaging already accounts the below effect????\nC if(wc(iw) .le. WV_NO3_QY(1))then\nC QYNO3_NO(iw,i) = NO3NO_QUANT_298K(1)*0.001\nC QYNO3_NO2(iw,i) = NO3NO2_QUANT_298K(1)*0.001\nC else\n QYNO3_NO2(IW,I) = QY2(IW)*0.001\nC endif\n ENDDO\n ENDDO\n RETURN\n END\nC\n REAL FUNCTION QY_ACETONE(TEMP, DENS_NUMB, LAMBDA)\n\n! Computes acetone quantum yields according to:\n! IUPAC (2005) recommendation based on\n! Blitz, M. A., D. E. Heard, M. J. Pilling, S. R. Arnold, and M. P. Chipperfield \n! (2004), Pressure and temperature-dependent quantum yields for the \n! photodissociation of acetone between 279 and 327.5 nm, Geophys. \n! Res. Lett., 31, L06111, doi:10.1029/2003GL018793.\n IMPLICIT NONE\n\nC inputs\n REAL TEMP ! air temperature, K\n REAL DENS_NUMB ! air number density, 1/cm^3\n REAL LAMBDA ! wavelength, nm\n! local\n REAL A0 ! 1st coef for qy\n REAL A1 ! 2nd coef for qy\n REAL A2 ! 3rd coef for qy\n REAL A3 ! 4th coef for qy\n REAL A4 ! 5th coef for qy\n REAL A5 ! 6th coef for qy\n REAL A6 ! 7th coef for qy\n\n REAL PHI_CO ! CO branch of IUPAC (2005) acetone QYZ\n REAL PHI_CH3CO ! CH3CO branch of IUPAC (2005) acetone QYZ\n REAL AA ! scratch variable for IUPAC (2005) acetone QYZ\n REAL BB ! scratch variable for IUPAC (2005) acetone QYZ\n REAL CC ! scratch variable for IUPAC (2005) acetone QYZ\n\n IF( LAMBDA .GE. 248.0 .AND. LAMBDA .LE. 349.0)THEN\n\n AA = 0.350*(TEMP/295.0)**(-1.28)\n BB = 0.068*(TEMP/295.0)**(-2.65)\n A0 = (AA / (1.0 - AA))*exp(BB*(LAMBDA-248.0))\n PHI_CO = 1.0 / (1.0 + A0)\n\n IF( LAMBDA .LE. 302.0 ) THEN\nC 248-302 nm\n AA = 1.600*1.0E-19 *(TEMP/295.0)**(-2.38)\n BB = 0.55*1.0E-03 *(TEMP/295.0)**(-3.19)\n A1 = AA*exp( -BB*((1.0E+07/LAMBDA)-33113.0) )\n PHI_CH3CO = (1.0 - PHI_CO) / (1.0 + A1*DENS_NUMB)\n\nC 302-349 nm\n ELSE\n AA = 1.62*1.0E-17 *(TEMP/295.0)**(-10.03)\n BB = 1.79*1.0E-3 *(TEMP/295.0)**(-1.364)\n A2 = AA*exp(-BB*((1.0E+07/LAMBDA) - 30488.0))\n\n AA = 26.29* (TEMP/295.0)**(-6.59)\n BB = 5.72 *1.0E-7 *(TEMP/295.0)**(-2.93)\n CC = (30006.0) *(TEMP/295.0)**(-0.064)\n A3 = AA*exp(-BB*((1.0E+07/LAMBDA) - CC)**2.0)\n\n AA = 1.67*1.0E-15 *(TEMP/295.0)**(-7.25)\n BB = 2.08*1.0E-3 *(TEMP/295.0)**(-1.16)\n A4 = AA*exp(-BB *((1.0E+07/LAMBDA) - 30488.0))\n\n PHI_CH3CO = (1.0 - PHI_CO)\n & * (1.0 + A4*DENS_NUMB + A3) \n & / ( (1.0 + A2*DENS_NUMB + A3)\n & * (1.0 + A4*DENS_NUMB) ) \n ENDIF\n\n\n QY_ACETONE = PHI_CO\n & + PHI_CH3CO\n\n ELSEIF(LAMBDA .LT. 248.0 .AND. LAMBDA .GT. 0.0)THEN ! set QY to 1.0\n! based on IUPAC (2005) data sheet\n\n PHI_CO = 0.05\n \n PHI_CH3CO = 0.95\n\n QY_ACETONE = PHI_CO+PHI_CH3CO\n\n ELSEIF(LAMBDA .GT. 349.0)THEN\n\n QY_ACETONE = 0.0\n\n ENDIF\n\n QY_ACETONE = MAX(0.0,MIN(1.0, QY_ACETONE))\n\n\n RETURN\n END\n\n* This file contains subroutines used for calculation of quantum yields for \n* various photoreactions:\n* qyacet - q.y. for acetone, based on Blitz et al. (2004)\n\n********************************************************************************\n\n REAL FUNCTION QY_ACETONE_TUV(T, M, w)\n*-----------------------------------------------------------------------------*\n*= taken from Tropospheric Ultraviolet-Visible (TUV) radiation model =*\n*= Version 4.6 =*\n*-----------------------------------------------------------------------------*\n* Compute acetone quantum yields according to the parameterization of:\n* Blitz, M. A., D. E. Heard, M. J. Pilling, S. R. Arnold, and M. P. Chipperfield \n* (2004), Pressure and temperature-dependent quantum yields for the \n* photodissociation of acetone between 279 and 327.5 nm, Geophys. \n* Res. Lett., 31, L06111, doi:10.1029/2003GL018793.\n\n IMPLICIT NONE\n\n* input:\n* T = temperature, K\n* m = air number density, molec. cm-3\n* w = wavelength, nm\n\n REAL w, T, M\n\n* internal:\n\n REAL a0, a1, a2, a3, a4\n REAL b0, b1, b2, b3, b4\n REAL c3\n REAL cA0, cA1, cA2, cA3, cA4\n\n* output\n* fco = quantum yield for product CO\n* fac = quantum yield for product CH3CO (acetyl radical)\n\n REAL fco, fac\n\n*** set out-of-range values:\n* use low pressure limits for shorter wavelengths\n* set to zero beyound 327.5\n\n IF(w .LT. 279. .AND. w .GE. 1.0) THEN\n fco = 0.05\n fac = 0.95\n QY_ACETONE_TUV = MAX(0.0,MIN(1.0, fco+fac))\n RETURN\n ENDIF\n\n IF(w .GT. 327.5 .OR. w .LT. 1.0) THEN\n fco = 0.\n fac = 0.\n QY_ACETONE_TUV = MAX(0.0,MIN(1.0, fco+fac))\n RETURN\n ENDIF\n\n*** CO (carbon monoxide) quantum yields:\n\n a0 = 0.350 * (T/295.)**(-1.28)\n b0 = 0.068 * (T/295.)**(-2.65)\n cA0 = exp(b0*(w - 248.)) * a0 / (1. - a0)\n\n fco = 1. / (1 + cA0)\n\n*** CH3CO (acetyl radical) quantum yields:\n\n IF(w .GE. 279. .AND. w .LT. 302.) THEN\n\n a1 = 1.600E-19 * (T/295.)**(-2.38)\n b1 = 0.55E-3 * (T/295.)**(-3.19)\n cA1 = a1 * EXP(-b1*((1.e7/w) - 33113.))\n \n fac = (1. - fco) / (1 + cA1 * M)\n\n ENDIF\n\n IF(w .GE. 302. .AND. w .LT. 327.5) THEN\n\n a2 = 1.62E-17 * (T/295.)**(-10.03)\n b2 = 1.79E-3 * (T/295.)**(-1.364)\n cA2 = a2 * EXP(-b2*((1.e7/w) - 30488.))\n\n\n a3 = 26.29 * (T/295.)**(-6.59)\n b3 = 5.72E-7 * (T/295.)**(-2.93)\n c3 = 30006 * (T/295.)**(-0.064)\n ca3 = a3 * EXP(-b3*((1.e7/w) - c3)**2)\n\n\n a4 = 1.67E-15 * (T/295.)**(-7.25)\n b4 = 2.08E-3 * (T/295.)**(-1.16)\n cA4 = a4 * EXP(-b4*((1.e7/w) - 30488.))\n\n fac = (1. - fco) * (1. + cA3 + cA4 * M) /\n $ ((1. + cA3 + cA2 * M)*(1. + cA4 * M))\n\n ENDIF\n\n QY_ACETONE_TUV = MAX(0.0,MIN(1.0, fco+fac))\n\n RETURN\n END\n\n********************************************************************************\n" }, { "path": "UTIL/inline_phot_preproc/src/xc_qy_td_effect.F", "content": " SUBROUTINE XC_QY_TD_EFFECT(WC,NW,TLEV,DENS,NZ,\n & JLABEL,XC,QY,SQ,REPLACE)\n\n USE CSQY_REFER_DATA\n\n IMPLICIT NONE\n\n! subroutine computes the product of the cross-section and\n! quantum yield over the atmospheric levels \n! includes temperature and pressure effect for select rates\n! inputs:\n\n INTEGER, INTENT( IN ) :: NW\n REAL, INTENT( IN ) :: WC(:)\n INTEGER, INTENT( IN ) :: NZ\n REAL, INTENT( IN ) :: TLEV(:) ! air temperature over model levels, deg K\n REAL, INTENT( IN ) :: DENS(:) ! air number density over level, 1/cm3\n CHARACTER(16), INTENT( IN ) :: JLABEL ! name of photolysis rate\n REAL, INTENT( INOUT ) :: XC(:,:) ! cross-section from file\n REAL, INTENT( INOUT ) :: QY(:,:) ! quantum yield from file\n REAL, INTENT( OUT ) :: SQ(:,:) ! cross-section times quantum yield over model levels\n LOGICAL, INTENT( OUT ) :: REPLACE ! flag to use sq values in calling routine \n\n! input/output:\n INTEGER I, J, N\n\n! local:\n\n INTEGER IW, IJ, IZ\n\n LOGICAL, SAVE :: FIRSTCALL = .TRUE.\n\n! output quantum yields\n\n LOGICAL EXISTS\n\n REAL PRESSURE\n REAL TDUM, QDUM, WDUM\n\n\n\n! local\n REAL, EXTERNAL :: OZONE_YIELD\n REAL, EXTERNAL :: QY_ACETONE\n REAL, EXTERNAL :: QY_ACETONE_TUV\n\n REAL NO2_XCROSS(KW,KZ), NO2_QUANT(KW,KZ)\n REAL O3_XCROSS(KW,KZ),O3_QUANT(KW,KZ)\n REAL HCHO_XCROSS(KW,KZ),HCHO_QUANTR(KW,KZ),HCHO_QUANTM(KW,KZ)\n REAL CLONO2_XCROSS(KW,KZ)\n REAL QYNO3_NO2(KW,KZ),QYNO3_NO(KW,KZ)\n REAL SIG, ALPHA, BETA, CHI\n\n INTERFACE\n SUBROUTINE WVBIN_AVERAGE(WL_CS_IN, CS_IN, NWL_CS_IN, \n & WL_QY_IN, QY_IN, NWL_QY_IN, \n & SPECTRA_TYPE,\n & WLL_AVE, WLU_AVE, NWL_AVE, \n & CS_AVE, QY_AVE )\n IMPLICIT NONE \n CHARACTER(1), INTENT( IN ) :: SPECTRA_TYPE ! spectra type\n INTEGER, INTENT( IN ) :: NWL_AVE ! number of intervals average \n INTEGER, INTENT( IN ) :: NWL_CS_IN ! number of intervals CS_IN\n INTEGER, INTENT( IN ) :: NWL_QY_IN ! number of intervals CS_IN\n REAL, INTENT( IN ) :: WL_CS_IN( : ) ! wl for CS_IN\n REAL, INTENT( IN ) :: WL_QY_IN( : ) ! wl for QY_IN\n REAL, INTENT( IN ) :: CS_IN( : ) ! cross-section as f(WLIN)\n REAL, INTENT( IN ) :: QY_IN( : ) ! quantum yield as f(WLIN)\n REAL, INTENT( OUT) :: WLL_AVE( : ) ! lower limit on wl effective interval\n REAL, INTENT( OUT) :: WLU_AVE( : ) ! upper limit on wl effective interval\n REAL, INTENT( OUT) :: CS_AVE( : ) ! cross-section as f(WL_AVE)\n REAL, INTENT( OUT) :: QY_AVE( : ) ! quantum yield as f(WL_AVE)\n END SUBROUTINE WVBIN_AVERAGE\n END INTERFACE \n!_______________________________________________________________________\n\n! complete wavelength grid\n\n\n\n IF(FIRSTCALL)THEN\n\n CALL INIT_CSQY_REFER_DATA()\n\n FIRSTCALL = .FALSE.\n \n ENDIF\n\n! computing data used for multiple rates\n\n DO IW = 1, NW\n DO IZ = 1, NZ\n\n IF( TLEV(IZ) .LT. 293.0 .AND. TLEV(IZ) .GT. 218.0)THEN\n O3_XCROSS(IW,IZ) = (O3_XCROSS_293K(IW)-O3_XCROSS_218K(IW))\n & / 75.0\n & * (TLEV(IZ) - 218.0)\n & + O3_XCROSS_218K(IW)\n ELSEIF( TLEV(IZ) .LE. 218.0)THEN\n O3_XCROSS(IW,IZ) = O3_XCROSS_218K(IW)\n ELSEIF( TLEV(IZ) .GE. 293.0)THEN\n O3_XCROSS(IW,IZ) = O3_XCROSS_293K(IW)\n ENDIF\n\n O3_XCROSS(IW,IZ) = O3_XCROSS(IW,IZ)\n O3_QUANT( IW,IZ) = OZONE_YIELD(WC(IW),TLEV(IZ)) \n\n TDUM = TLEV(IZ)-296.0\n \n CLONO2_XCROSS(IW,IZ) = CLONO2_XCROSS0(IW)\n & * ( 1.0\n & + CLONO2_A1(IW)*TDUM \n & + CLONO2_A2(IW)*TDUM**2 )\n\n\n NO2_XCROSS(IW,IZ) = NO2_XCROSS_294K(IW)\n IF(TLEV(IZ) .GT. 220.0 .AND. TLEV(IZ) .LT. 294.0)THEN\n TDUM = (NO2_XCROSS_294K(IW)-NO2_XCROSS_220K(IW))\n & * (TLEV(IZ)-220.0)/74.0\n NO2_XCROSS(IW,IZ) = NO2_XCROSS_220K(IW)\n & + TDUM \n ELSEIF(TLEV(IZ) .LE. 220.0)THEN\n NO2_XCROSS(IW,IZ) = NO2_XCROSS_220K(IW)\n ENDIF\n\n NO2_QUANT(IW,IZ) = NO2_QUANT_298K(IW)\n IF(TLEV(IZ) .GT. 248.0 .AND. TLEV(IZ) .LT. 294.0)THEN\n TDUM = (NO2_QUANT_298K(IW)-NO2_QUANT_248K(IW))\n & * (TLEV(IZ)-248.0)/50.0\n NO2_QUANT(IW,IZ) = NO2_QUANT_248K(IW)\n & + TDUM \n ELSEIF(TLEV(IZ) .LE. 248.0)THEN\n NO2_QUANT(IW,IZ) = NO2_QUANT_248K(IW)\n ENDIF\n NO2_QUANT(IW,IZ) = MIN(MAX(NO2_QUANT(IW,IZ), 0.0), 1.0)\n\n ENDDO\n ENDDO\n\n\n CALL JHCHO_NASA_2006(NW,WC,NZ,TLEV,DENS, HCHO_XCROSS, \n & HCHO_QUANTR, HCHO_QUANTM)\n\n\n CALL NASA_NO3_QUANTAS(NW,WC,NZ,TLEV,DENS,QYNO3_NO,\n & QYNO3_NO2)\n\n\n SQ = 0.0\n\n PRINT*,'ENTERING CASE SELECT FOR XC_QY_TD_EFFECT ', JLABEL\n\n SELECT CASE( JLABEL ) \n CASE( 'IC3ONO2', 'NTR_IUPAC10', 'NTR_IUPAC04', 'ONIT_RACM2' )\n\n! temperature correction to cross-section\n\n DO IW = 1, NW\n DO IZ = 1, NZ\n\n IF((WC(IW) .GE. 240.) .AND. (WC(IW) .LE. 340.))THEN\n\n IF( TLEV(IZ) .LT. 360.0 .AND. TLEV(IZ) .GT. 233.0)THEN\n SIG = IC3ONO2_XCROSS_298K(IW)\n & * EXP(IC3ONO2_XCROSS_EXP(IW)*(TLEV(IZ)-298.0))\n ELSEIF( TLEV(IZ) .LE. 240.0)THEN\n SIG = IC3ONO2_XCROSS_298K(IW)\n & * EXP(IC3ONO2_XCROSS_EXP(IW)*(-58.0))\n ELSEIF( TLEV(IZ) .GE. 360.)THEN\n SIG = IC3ONO2_XCROSS_298K(IW)\n & * EXP(IC3ONO2_XCROSS_EXP(IW)*(62.0))\n ENDIF\n ELSE\n SIG = IC3ONO2_XCROSS_298K(IW)\n ENDIF\n\n SQ(IZ, IW) = SIG*QY(IZ,IW)\n XC(IZ, IW) = SIG\n \n ENDDO\n ENDDO\n\n REPLACE = .TRUE.\n\n CASE( 'NO2-06', 'NO2_06', 'NO2_RACM2', 'NO2_IUPAC10' ) ! 'NO2 -> NO + O(3P)'\n\n! temperature correction to cross-section and quantum yield\n\n DO IW = 1, NW\n DO I = 1, NZ\n SQ(I, IW) = NO2_XCROSS(IW,I)*NO2_QUANT(IW,I)\n XC(I, IW) = NO2_XCROSS(IW,I)\n QY(I, IW) = NO2_QUANT(IW,I)\n ENDDO\n ENDDO\n\n REPLACE = .TRUE.\n\n CASE( 'N2O5_IUPAC04', 'N2O5_IUPAC10' )\n\n! temperature correction to cross-section \n\n DO IW = 1, NW\n DO I = 1, NZ\n\n TDUM = MAX(195.0, MIN(TLEV(I), 300.0))\n IF( WC( IW ) .LE. 410 )THEN\n ALPHA = N2O5_XCROSS_EXP(IW)*(1.0/TDUM - 1.0/298.0)\n SIG = N2O5_XCROSS_298K(IW)\n & * EXP( ALPHA )\n ELSE\n SIG = 0.0\n END IF\n\n SQ(I,IW) = SIG*QY(I,IW)\n XC(I,IW) = SIG\n\n ENDDO\n ENDDO\n\n REPLACE = .TRUe.\n\n CASE( 'NO2EX' ) ! 'NO2 -> NO2(excited)'\n\n! temperature correction to cross-section and quantum yield\n\n DO IW = 1, NW\n DO I = 1, NZ\n\n SQ(I, IW) = NO2_XCROSS(IW,I)\n & * (1.0 - NO2_QUANT(IW,I))\n XC(I, IW) = NO2_XCROSS(IW,I)\n QY(I, IW) = 1.0 - NO2_QUANT(IW,I)\n\n ENDDO\n ENDDO\n\n REPLACE = .TRUE.\n\n CASE( 'HNO4-06', 'HNO4_06', 'HO2NO2_IUPAC04', 'PNA_IUPAC10', 'HNO4_RACM2' ) ! 'HNO4 -> HO2 + NO2'\n\n! temperature correction to cross-section\n\n DO IW = 1, NW\n DO I = 1, NZ\n QDUM = QY(I, IW)\n! QDUM = 1.0 \n! QY(I, IW) = QDUM\n IF(HO2NO2_XCROSS_A1(IW).GT.0.0.AND.HO2NO2_XCROSS_A2(IW).GT.0.0)THEN\n TDUM = 1.0+EXP(-988.0/(0.69*TLEV(I)))\n SQ(I, IW) = (HO2NO2_XCROSS_A1(IW)/TDUM\n & + HO2NO2_XCROSS_A2(IW)*(1.0-1.0/TDUM))\n & * QDUM\n XC(I, IW) = (HO2NO2_XCROSS_A1(IW)/TDUM\n & + HO2NO2_XCROSS_A2(IW)*(1.0-1.0/TDUM))\n ELSE\n SQ(I, IW) = HO2NO2_XCROSS_296K(IW)*QDUM\n XC(I, IW) = HO2NO2_XCROSS_296K(IW)\n ENDIF\n ENDDO\n ENDDO\n\n REPLACE = .TRUE.\n\n CASE( 'NO3NO-06', 'NO3NO_06', 'NO3NO_RACM2' ) ! 'NO3 -> NO + O2'\n\n! temperature correction to cross-section and quantum yield\n\n DO IW = 1, NW\n DO I = 1, NZ\n TDUM = (1.0-EXP(-1096.4/TLEV(I))\n & - 2.0*EXP(-529.5/TLEV(I)))\n & / (1.0-EXP(-1096.4/298.0)\n & - 2.0*EXP(-529.5/298.0))\n SQ(I, IW) = NO3_XCROSS_06(IW)*TDUM*QYNO3_NO(IW,I)\n XC(I, IW) = NO3_XCROSS_06(IW)*TDUM\n QY(I, IW) = QYNO3_NO(IW,I)\n QY(I, IW) = MIN(1.0, QY(I, IW))\n QY(I, IW) = MAX(0.0, QY(I, IW))\n ENDDO\n ENDDO\n\n REPLACE = .TRUE.\n\n CASE( 'CLONO2-2', 'CLONO2_2') ! 'ClONO2 -> Cl + NO3'\n\n! temperature correction to cross-section \n\n DO IW = 1, NW\n DO IZ = 1, NZ\n SQ(IZ, IW) = CLONO2_XCROSS(IW,IZ)*QY(IZ,IW)\n XC(IZ, IW) = CLONO2_XCROSS(IW,IZ)\n ENDDO\n ENDDO\n\n REPLACE = .TRUE.\n\n CASE( 'CLONO2-1', 'CLONO2_1' ) ! 'ClONO2 -> ClO + NO2'\n\n! temperature correction to cross-section \n\n DO IW = 1, NW\n DO IZ = 1, NZ\n SQ(IZ, IW) = CLONO2_XCROSS(IW,IZ)*QY(IZ,IW)\n XC(IZ, IW) = CLONO2_XCROSS(IW,IZ)\n ENDDO\n ENDDO\n\n REPLACE = .TRUE.\n\n CASE( 'CCHO_R', 'ALD2_R_IUPAC10', 'CH3CHO_RACM2' ) ! 'CH3CHO -> CH3 + HCO'\n\n! density correction to quantum yield\n\n DO IW = 1, NW\n DO I = 1, NZ\n QDUM = QY(I,IW) \n & * (1. + CCHO_YIELD_COEFF(IW))\n & / (1. + CCHO_YIELD_COEFF(IW)*DENS(I)/2.465E19)\n SQ(I, IW) = XC(I,IW)*QDUM\n QY(I, IW) = QDUM\n QY(I, IW) = MIN(1.0, QY(I, IW))\n QY(I, IW) = MAX(0.0, QY(I, IW))\n ENDDO\n ENDDO\n\n REPLACE = .TRUE.\n\n CASE( 'PAN', 'PAN_IUPAC04', 'PAN_IUPAC10' ) ! 'PAN + hv -> PRODUCTS'\n\n QDUM = 1.0\n\n! temperature correction to cross-section \n\n DO IW = 1, NW\n DO I = 1, NZ\n SIG = PAN_XCROSS(IW) \n & * EXP(PAN_XCROSS_B(IW)*(TLEV(I)-298.0))\n SQ(I, IW) = SIG*QDUM\n XC(I, IW) = SIG\n ENDDO\n ENDDO\n\n\n REPLACE = .TRUE.\n\n CASE( 'PAN1_RACM2', 'PAN2_RACM2' ) ! 'PAN + hv -> PRODUCTS'\n\n\n! temperature correction to cross-section \n\n DO IW = 1, NW\n DO I = 1, NZ\n SIG = PAN_XCROSS(IW) \n & * EXP(PAN_XCROSS_B(IW)*(TLEV(I)-298.0))\n SQ(I, IW) = SIG*QY(I,IW)\n XC(I, IW) = SIG\n ENDDO\n ENDDO\n\n\n REPLACE = .TRUE.\n\n CASE( 'C2CHO', 'ALD_RACM2', 'ALDX_R_IUPAC10' ) ! 'C2H5CHO -> C2H5 + HCO'\n\n! density correction to quantum yield\n\n DO IW = 1, NW\n DO I = 1, NZ\n IF (QY(I,IW) .LT. 1.0E-5) THEN\n QDUM = 0.0\n ELSE\n QDUM = 1.0\n & / (1.0 + (1.0/QY(I,IW) - 1.0)*DENS(I)/2.465E19)\n ENDIF\n QDUM = MIN(QDUM,1.0)\n SQ(I, IW) = XC(I,IW)*QDUM\n QY(I, IW) = QDUM\n QY(I, IW) = MIN(1.0, QY(I, IW))\n QY(I, IW) = MAX(0.0, QY(I, IW))\n\n ENDDO\n ENDDO\n\n\n REPLACE = .TRUE.\n\n CASE( 'NO3NO2-6', 'NO3NO2_6', 'NO3NO2_06', 'NO3NO2_RACM2' ) ! 'NO3 -> NO2 + O(3P)'\n\n! temperature correction to cross-section and quantum yield\n\n DO IW = 1, NW\n DO I = 1, NZ\n TDUM = (1.0-EXP(-1096.4/TLEV(I))\n & - 2.0*EXP(-529.5/TLEV(I)))\n & / (1.0-EXP(-1096.4/298.0)\n & - 2.0*EXP(-529.5/298.0))\n SQ(I, IW) = NO3_XCROSS_06(IW)*TDUM*QYNO3_NO2(IW,I)\n XC(I, IW) = NO3_XCROSS_06(IW)*TDUM\n QY(I, IW) = QYNO3_NO2(IW,I)\n QY(I, IW) = MIN(1.0, QY(I, IW))\n QY(I, IW) = MAX(0.0, QY(I, IW))\n ENDDO\n ENDDO\n\n REPLACE = .TRUE.\n\n CASE( 'HNO3', 'HNO3_IUPAC04', 'HNO3_IUPAC10', 'HNO3_RACM2' )\n\n! temperature correction to cross-section \n\n DO IW = 1, NW\n DO IZ = 1, NZ\n\nC IF((WC(IW) .GT. 192.0) .AND. (WC(IW) .LT. 350.))THEN\n\n SIG = HNO3_XCROSS_298K(IW)\n & * EXP(HNO3_XCROSS_EXP(IW)*(TLEV(IZ)-298.0))\n\nC ELSE\n\nC SIG = XC(I,IW)\n\nC ENDIF\n\nC assume quantum yield equal to one \n\n SQ(IZ, IW) = SIG*QY(IZ,IW)\n XC(IZ, IW) = SIG\n\n ENDDO\n ENDDO\n\n\n REPLACE = .TRUE.\n\n CASE( 'MVK-06', 'ISPD', 'MVK_06', 'MVK_RACM2' )\n\nC quantum yield from\nC Gierczak, T., J. B. Burkholder, R. K. Talukdar, A. Mellouki, S. B. Barone,\nC and A. R. Ravishankara, Atmospheric fate of methyl vinyl ketone and methacrolein,\nC J. Photochem. Photobiol A: Chemistry, 110 1-10, 1997.\nC depends on pressure and wavelength, set upper limit to 1.0\nC However, chamber evaluations for SAPRC07T require a pressure correction where\nC number density coefficient is five times higher.\n DO IW = 1, NW\n DO I = 1, NZ\n\n! density correction to quantum yield\n\n! QDUM = EXP(-0.055*(WC(IW)-308.)) / \n! & (5.5 + 5.0*9.2E-19*DENS(I))\n! remove wavelength dependence\n QDUM = QY(I, IW)\n & * (5.5 + 5.0*9.2E-19*2.465E+19)\n & / (5.5 + 5.0*9.2E-19*DENS(I))\n QDUM = MIN(QDUM, 1.0)\n \n SQ(I, IW) = XC(I,IW)* QDUM\n QY(I, IW) = QDUM\n QY(I, IW) = MIN(1.0, QY(I, IW))\n QY(I, IW) = MAX(0.0, QY(I, IW))\n\n ENDDO\n ENDDO\n\n\n REPLACE = .TRUE.\n\n CASE( 'MACR-06', 'MACR_06', 'MACR_RACM2' )\n\nC quantum yield based on 2.76 times MVK from\nC Gierczak, T., J. B. Burkholder, R. K. Talukdar, A. Mellouki, S. B. Barone,\nC and A. R. Ravishankara, Atmospheric fate of methyl vinyl ketone and methacrolein,\nC J. Photochem. Photobiol A: Chemistry, 110 1-10, 1997.\nC depends on pressure and wavelength, set upper limit to 1.0\nC However, chamber evaluations for SAPRC07T require a pressure correction where\nC number density coefficient is five times higher.\n\n! density correction to quantum yield\n\n DO IW = 1, NW\n DO I = 1, NZ\n QDUM = 2.76*EXP(-0.055*(WC(IW)-308.)) / \n & (5.5 + 5.0*9.2E-19*DENS(I))\n! remove wavelength dependence \n QDUM = QY(I, IW)\n & * (5.5 + 5.0*9.2E-19*DENS(I)) \n & / (5.5 + 5.0*9.2E-19*2.465E+19)\n QDUM = MIN(QDUM, 1.0)\n SQ(I, IW) = XC(I,IW)* QDUM\n QY(I, IW) = QDUM\n QY(I, IW) = MIN(1.0, QY(I, IW))\n QY(I, IW) = MAX(0.0, QY(I, IW))\n\n ENDDO\n ENDDO\n\n\n REPLACE = .TRUE.\n\n CASE( 'MEK-06', 'MEK_06')\nC Quantum Yields from \nC Raber, W.H. (1992) PhD Thesis, Johannes Gutenberg-Universitaet, Mainz, Germany.\nC other channels assumed negligible (less than 10%).\nC Total quantum yield = 0.38 at 760 Torr. but Carter\nC adjusts to 0.175 based on chamber tests and sets the values in\nC mechanism definition file.\nC NOTE: SAPRC07T includes this quantum yield in the mechanism definition\nC file as factor times the photolysis rates where the quantum yield is \nC set one.\n\n! temperature/density correction to quantum yield\n\nC Stern-Volmer form given: 1/phi = 0.96 + 2.22e-3*P(torr)\nC compute local pressure in torr\n DO IW = 1, NW\n DO I = 1, NZ\n! PTORR = (760.*DENS(I)/2.69E19)\n! PTORR = (1.03547E-19*DENS(I)*TLEV(I))\n PRESSURE = (1.03547E-19*DENS(I)*TLEV(I)) ! TORR \n! SIG = 1.0 ! (0.96 + 2.22E-3*760.0)\n! & / (0.96 + 2.22E-3*(1.03547E-19*DENS(I)*TLEV(I)))\n \n IF( PRESSURE .LT. 181.0 )THEN \n QDUM = 1.0\n SIG = 2.645\n & / (0.96 + 2.22E-3*(181.0))\n ELSE\n SIG = 2.645\n & / (0.96 + 2.22E-3*PRESSURE)\n QDUM = 1.0\n & / (0.96 + 2.22E-3*PRESSURE)\n ENDIF\nC SIG = MIN(SIG, 1.0)/2.649078\n SQ(I, IW) = XC(I,IW)* SIG\n QY(I, IW) = SIG\n QY(I, IW) = MIN(1.0, QY(I, IW))\n QY(I, IW) = MAX(0.0, QY(I, IW))\n\n ENDDO\n ENDDO\n\n REPLACE = .TRUE.\n\n CASE( 'H2O2', 'H2O2_SAPRC99', 'H2O2_RACM2', 'H2O2_IUPAC10' )\n\n! Provide cross section and quantum yield for H2O2 photolysis =*\n! H2O2 + hv -> 2 OH between 260 and 350 nm =*\n! Otherwise use Cross section from JPL97, tabulated values @ 298K \n! Quantum yield: Assumed to be unity =*\n\n DO i = 1, nz\n DO iw = 1, nw\n qdum = qy(i,iw)\n \n IF(wc(iw) .GE. 260.0 .AND. wc(iw) .LT. 350.0) THEN\n CALL JH2O2_260t350nm(wc(iw),tlev(i),dens(i),\n & sig,qdum)\n xc(i, iw) = sig\n ELSE\n sig = xc(i,iw)\n ENDIF\n sq(i, iw) = sig*qdum\n\n! temperature correction to cross-section \n\n IF(WC(IW) .GE. 260.0 .AND. WC(IW) .LE. 350.0)THEN \n CHI = 1.0\n & / (1.0 + EXP(-1265.0/MAX(200.0, MIN(TLEV(I),400.0))) )\n SIG = CHI*H2O2_XCROSS_A(IW)\n & + (1.0 - CHI)*H2O2_XCROSS_B(IW)\n\n XC(I, IW) = SIG\n\n ELSE\n\n SIG = XC(I, IW)\n\n ENDIF\n\n SQ(I, IW) = XC(I, IW)*QDUM\n\n ENDDO\n ENDDO\n\n REPLACE = .TRUE.\n\n CASE( 'MGLY-06' , 'BACL-07', 'MGLY_06' , 'BACL_07', 'MGLY_IUPAC04')\n\n! temperature/density correction to quantum yield\n\n DO IW = 1, NW\nC QY(I,IW) = MIN( QY(I,IW), 1.0)\nC QY(I,IW) = MAX( QY(I,IW), 0.0)\n\n DO I = 1, NZ\n\n PRESSURE = (1.03547E-19*DENS(I)*TLEV(I)) ! TORR \n PRESSURE = MIN(472.0, PRESSURE)\n QY(I,IW) = MIN( QY(I,IW), 1.0)\n QY(I,IW) = MAX( QY(I,IW), 0.0)\n\nC Pressure dependence based on Koch and Moortgat (1998), \nC J. Phys. Chem. A, vol 102, pages 9142. The application contradicts\nC NASA (2006) & IUPAC (2005) and is used based recommendations for\nC SAPRC07T photolysis rates by William Carter (2009)\n\n IF(WC(IW) .LT. 500.0 .AND. WC(IW) .GT. 240.0)THEN\n IF( QY(I,IW) .GT. 0.0 .AND. QY(I,IW) .LT. 1.0)THEN\n QDUM = 1.36E8*(472.0)*EXP(-8793/WC(IW))\n & / ( 1.0/QY(I,IW) - 1.0 )\n SIG = QDUM\n & /(QDUM+1.36E8*EXP(-8793/WC(IW))*PRESSURE)\n QDUM = 1.36E8*(472.0)\n & / ( 1.0/QY(I,IW) - 1.0 )\n SIG = QDUM\n & /(QDUM+1.36E8*PRESSURE)\n ELSE\n SIG = QY(I,IW)\n ENDIF\n ELSEIF(WC(IW) .LE. 240.0)THEN\n SIG = QY(I,IW)\n ELSEIF(WC(IW) .GE. 500.0)THEN\n SIG = 0.0\n ENDIF\n\nC SIG = QY(I,IW)\n SQ(I, IW) = XC(I,IW)*SIG \n QY(I, IW) = SIG\n QY(I, IW) = MIN(1.0, QY(I, IW))\n QY(I, IW) = MAX(0.0, QY(I, IW))\n\n ENDDO\n ENDDO\n\n\n REPLACE = .TRUE.\n\n CASE( 'ACRO-09', 'ACRO_09', 'ACROLEIN_SAPRC99')\n\n! density correction quantum yield\n\n DO IW = 1, NW\n\n DO I = 1, NZ\n\n QY(I,IW) = MIN( QY(I,IW), 1.0)\n QY(I,IW) = MAX( QY(I,IW), 0.0)\n\nC Number density dependence based on Gardner et. al (1997), \nC J. Phys. Chem., vol 91, pages 1922. The application uses\nC the quantum yields set in in cross-section file. For \nC SAPRC07T, yields set approximation four times NASA (2006)\nC because the mechanism developer sums over all possible channels and\nC Gardner et. al may support this conclusion. \n\n IF(DENS(I) .GE. 8.0E+17)THEN\n QDUM = (4.0E-3+1.0/(8.6E-2+1.613E-17*DENS(I)))\n & / 0.006384\n ELSEIF(DENS(I) .LT. 8.0E+17)THEN\n QDUM = 12.00713\n ENDIF\n\n SIG = QY(I,IW)*QDUM\n\n SQ(I, IW) = XC(I,IW)*SIG \n QY(I, IW) = SIG\n QY(I, IW) = MIN(1.0, QY(I, IW))\n QY(I, IW) = MAX(0.0, QY(I, IW))\n\n ENDDO\n ENDDO\n\n REPLACE = .TRUE.\n\n CASE( 'HCHOR-06', 'HCHOR_06', 'FORM_R_IUPAC10', 'HCHO_R_SAPRC99', 'HCHO_RAD_RACM2' ) ! 'CH2O -> H + HCO' \n\n\n! temperature correction to cross-section \n\n DO IW = 1, NW\n DO IZ = 1, NZ\n\n SIG = HCHO_XCROSS_300K(IW) \n IF(TLEV(IZ) .LT. 300.0 .AND. TLEV(IZ) .GT. 195.0)THEN\n SIG = SIG + HCHO_XCROSS_A(IW)*(TDUM-300.0)\n ELSEIF( TLEV(IZ) .LE. 195.0)THEN\n SIG = SIG - HCHO_XCROSS_A(IW)*105.0\n ENDIF\n SQ(IZ, IW) = SIG*HCHO_QUANTR_STP(IW)\n XC(IZ, IW) = HCHO_XCROSS(IW,IZ)\n QY(IZ, IW) = HCHO_QUANTR_STP(IW)\n ENDDO\n ENDDO\n\n\n REPLACE = .TRUE.\n\n CASE( 'HCHOM-06', 'HCHOM_06', 'FORM_M_IUPAC10', 'HCHO_M_SAPRC99', 'HCHO_MOL_RACM2' ) ! 'CH2O -> H2 + CO'\n\n! temperature correction to cross-section \n\n DO IW = 1, NW\n DO IZ = 1, NZ\n SIG = HCHO_XCROSS_300K(IW) \n IF(TLEV(IZ) .LT. 300.0 .AND. TLEV(IZ) .GT. 195.0)THEN\n SIG = SIG + HCHO_XCROSS_A(IW)*(TDUM-300.0)\n ELSEIF( TLEV(IZ) .LE. 195.0)THEN\n SIG = SIG - HCHO_XCROSS_A(IW)*105.0\n ENDIF\n SQ(IZ, IW) = HCHO_XCROSS(IW,IZ)*HCHO_QUANTM(IW,IZ)\n XC(IZ, IW) = HCHO_XCROSS(IW,IZ)\n QY(IZ, IW) = HCHO_QUANTM(IW,IZ)\n\n! temperature/density correction to quantum yield\n\n IF(WC(IW) .GE. 330.0 .AND. HCHO_QUANTM_STP(IW) .GT. 0.0)THEN\n\n QDUM = 1.0/HCHO_QUANTM_STP(IW) ! need to subst actual value in QY \n BETA = 1.0/(1.0-HCHO_QUANTR_STP(IW)) ! need to subst actual value in QY \n\n IF( TLEV(IZ) .LT. 300.0 .AND. TLEV(IZ) .GT. 220.0)THEN\n PRESSURE = 82.06*(DENS(IZ)/6.02E+23)*TLEV(IZ)\n ALPHA = (QDUM - BETA)\n & * (1.+0.05*(WC(IW)-329.0)*((TLEV(IZ)-80.0)/80.0)) \n ELSEIF( TLEV(IZ) .LE. 220.0)THEN\n PRESSURE = 3.0E-20*DENS(IZ)\n ALPHA = (QDUM - BETA) \n & * (1.+0.0875*(WC(IW)-329.0))\n ELSEIF( TLEV(IZ) .GE. 300.)THEN\n PRESSURE = 4.09E-20*DENS(IZ)\n ALPHA = (QDUM - BETA)\n & * (1.+0.1375*(WC(IW)-329.0))\n ENDIF\n \n QY(IZ, IW) = 1.0/(BETA + PRESSURE*ALPHA)\n! reduce wavelength dependence\n QDUM = (BETA + 82.06*(2.465E+19/6.02E+23)*298.0*ALPHA)\n & / (BETA + PRESSURE*ALPHA)\n QY(IZ, IW) = QDUM * QY(IZ, IW)\n\n ELSE\n\n QY(IZ, IW) = HCHO_QUANTM_STP(IW)\n\n ENDIF\n QY(IZ, IW) = MIN(1.0, QY(IZ, IW))\n QY(IZ, IW) = MAX(0.0, QY(IZ, IW))\n SQ(IZ, IW) = SIG*QY(IZ, IW)\n\n ENDDO\n ENDDO\n\n REPLACE = .TRUE.\n\n CASE( 'O3O1D-06', 'O3O1D_06', 'O3_O1D_IUPAC10', 'O3_O1D_IUPAC04','O3O1D_NASA06' ) ! 'O3 -> O2 + O(1D)'\n\n! temperature correction to cross-section \n\n DO IW = 1, NW\n DO IZ = 1, NZ\n SQ(IZ, IW) = O3_XCROSS(IW,IZ)*O3_QUANT(IW,IZ)\n XC(IZ, IW) = O3_XCROSS(IW,IZ)\n QY(IZ, IW) = O3_QUANT(IW,IZ)\n! PRINT*,IW,O3_XCROSS(IW,IZ),O3_QUANT(IW,IZ)\n ENDDO\n ENDDO\n\n\n REPLACE = .TRUE.\n\n CASE( 'O3O3P-06', 'O3O3P_06', 'O3_O3P_IUPAC10', 'O3_O3P_IUPAC04', 'O3O3P_NASA06' ) ! 'O3 -> O2 + O(3P)'\n\n! temperature correction to cross-section \n\n DO IW = 1, NW\n DO IZ = 1, NZ\n SQ(IZ, IW) = O3_XCROSS(IW,IZ)\n & * (1.0 - O3_QUANT(IW,IZ))\n XC(IZ, IW) = O3_XCROSS(IW,IZ)\n QY(IZ, IW) = 1.0 - O3_QUANT(IW,IZ)\n ENDDO\n ENDDO\n\n\n REPLACE = .TRUE.\n\n CASE( 'ACET-06', 'ACET_06', 'ACET_IUPAC10', 'ACETONE', 'ACT_RACM2' ) ! 'CH3COCH3 -> products'\n\n DO IW = 1, NW\n DO IZ = 1, NZ\n\n! temperature correction to cross-section \n\n SIG = (XC_D_ACETONE(IW)\n & + XC_A_ACETONE(IW)*TLEV(IZ)\n & + XC_B_ACETONE(IW)*TLEV(IZ)**2\n & + XC_C_ACETONE(IW)*TLEV(IZ)**3)\n & * XCROSS_ACETONE_298K( IW )\n\n SIG = XCROSS_ACETONE_298K( IW )\n\n! temperature/density correction to quantum yield\n\n QDUM = QY_ACETONE(TLEV(IZ),DENS(IZ),WC(IW))\n\n SQ(IZ, IW) = SIG*QDUM\n XC(IZ, IW) = SIG\n QY(IZ, IW) = QDUM\n QY(IZ, IW) = MIN(1.0, QY(IZ, IW))\n QY(IZ, IW) = MAX(0.0, QY(IZ, IW))\n\n\n ENDDO\n ENDDO\n\n REPLACE = .TRUE.\n\n CASE( 'CL2', 'CL2_IUPAC04')\n\n! NASA (2006) and IUPAC(2005) recommended cross-section as a function of\n! wavelength and temperature taken from\n! D. Maric et al. (1993) J. Photochem. Photobiol. A: Chem. 70, 205.\n\n DO IW = 1, NW\n DO IZ = 1, NZ\n\n! temperature correction to cross-section \n\n TDUM = TLEV(IZ)\n IF(TLEV(IZ) .GT. 300.0)THEN\n TDUM = 300.0\n ELSEIF(TLEV(IZ) .LT. 195.0)THEN\n TDUM = 195.0\n ELSE\n TDUM = TLEV(IZ)\n ENDIF \n\n ALPHA = TANH(470.676/TDUM)\n IF(WC(IW) .GT. 550.0)THEN\n SIG = 0.0\n ELSEIF(WC(IW) .LT. 250.0)THEN\n SIG = 0.0\n ELSE\n WDUM = WC(IW)\n SIG = SQRT(ALPHA)\n & * (27.3 *EXP(-99.0*ALPHA*(LOG(329.5/WDUM))**2)\n & + 0.932*EXP(-91.5*ALPHA*(LOG(406.5/WDUM))**2))\n ENDIF \n\n! IUPAC (2005) and NASA (2006) recommend quantum yield equal to one when\n! cross-section is nonzero\n\n SQ(IZ, IW) = 1.0E-20*SIG\n XC(IZ, IW) = 1.0E-20*SIG\n\n ENDDO\n ENDDO\n\n REPLACE = .TRUE.\n\n CASE DEFAULT\n\n DO IW = 1, NW\n DO IZ = 1, NZ\n SQ(IZ, IW) = XC(IZ,IW)*QY(IZ,IW)\n ENDDO\n ENDDO\n\n REPLACE = .FALSE.\n\n END SELECT \n\n FIRSTCALL = .FALSE.\n\n RETURN\n END\nC\n FUNCTION OZONE_YIELD(W, T)\n!-----------------------------------------------------------------------------*\n! taken from Tropospheric Ultraviolet-Visible (TUV) radiation model =*\n! Version 4.5 =*\n! Sep 2007 =*\n!-----------------------------------------------------------------------------*\n! PURPOSE: =*\n* function to calculate the quantum yield O3 + hv -> O(1D) + O2, =*\n* according to: \n* Matsumi, Y., F. J. Comes, G. Hancock, A. Hofzumanhays, A. J. Hynes,\n* M. Kawasaki, and A. R. Ravishankara, QUantum yields for production of O(1D)\n* in the ultraviolet photolysis of ozone: Recommendation based on evaluation\n* of laboratory data, J. Geophys. Res., 107, 10.1029/2001JD000510, 2002.\n!-----------------------------------------------------------------------------*\n! TUV model developed by Sasha Madronich with important contributions from: =*\n! Chris Fischer, Siri Flocke, Julia Lee-Taylor, Bernhard Meyer, =*\n! Irina Petropavlovskikh, Xuexi Tie, and Jun Zen. =*\n! To contact the author, write to: =*\n! Sasha Madronich, NCAR/ACD, P.O.Box 3000, Boulder, CO, 80307-3000, USA or =*\n! send email to: sasha@ucar.edu or tuv@acd.ucar.edu =*\n!-----------------------------------------------------------------------------*\n! This program is free software; you can redistribute it and/or modify =*\n! it under the terms of the GNU General Public License as published by the =*\n! Free Software Foundation; either version 2 of the license, or (at your =*\n! option) any later version. =*\n! The TUV package is distributed in the hope that it will be useful, but =*\n! WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTIBI- =*\n! LITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public =*\n! License for more details. =*\n! To obtain a copy of the GNU General Public License, write to: =*\n! Free Software Foundation, Inc., 675 Mass Ave, Cambridge, MA 02139, USA. =*\n!-----------------------------------------------------------------------------*\n! Copyright (C) 1994,95,96,97,98,99,2000,01,02,03, 04, 05, 06, 07 =*\n! by the University Corporation for Atmospheric Research =*\n!-----------------------------------------------------------------------------*\n IMPLICIT NONE\n\n REAL W ! wavelength, nm\n REAL T ! temperature, deg K\n REAL OZONE_YIELD ! dimensionaless\n\nC local variables\n\n REAL KT\n REAL A(3), X(3), OM(3)\n REAL Q1, Q2 \n\n DATA A/ 0.8036, 8.9061, 0.1192/\n DATA X/ 304.225, 314.957, 310.737/\n DATA OM/ 5.576, 6.601, 2.187/\n \n OZONE_YIELD = 0.0\n KT = 0.695 * T\n Q1 = 1.0\n Q2 = EXP(-825.518/KT)\n \n IF(W .LE. 305.0) THEN\n OZONE_YIELD = 0.90\n ELSEIF(W .GT. 305.0 .AND. W .LE. 328.0) THEN\n\n OZONE_YIELD = 0.0765 + \n & A(1)* (Q1/(Q1+Q2))*EXP(-((X(1)-W)/OM(1))**4.0)+ \n & A(2)*(T/300.)**2.0*(Q2/(Q1+Q2))*EXP(-((X(2)-W)/OM(2))**2.0)+\n & A(3)*(T/300.)**1.5 *EXP(-((X(3)-W)/OM(3))**2.0)\n\n ELSEIF(W .GT. 328.0 .AND. W .LE. 340.0) THEN\n OZONE_YIELD = 0.08\n ELSEIF(W .GT. 340.) THEN\n OZONE_YIELD = 0.0\n ENDIF\n\n END\n\n!============================================================================*\n\n SUBROUTINE JH2O2_260T350NM(WC,TEMP,AIRDEN,XCROSS,QUANT)\n!-----------------------------------------------------------------------------*\n! taken from Tropospheric Ultraviolet-Visible (TUV) radiation model =*\n! Version 4.5 =*\n! Sep 2007 =*\n!-----------------------------------------------------------------------------*\n! PURPOSE: =*\n! Provide cross section and quantum yield for H2O2 photolysis =*\n! H2O2 + hv -> 2 OH between 260 and 350 nm =*\n! Otherwise use Cross section from JPL97, tabulated values @ 298K \n! Quantum yield: Assumed to be unity =*\n!-----------------------------------------------------------------------------*\n! PARAMETERS: =*\n! WC - REAL, center points of wavelength interval (I)=*\n! TLEV - REAL, temperature (K) at altitude level (I)=*\n! AIRDEN - REAL, air density (molec/cc) at altitude level (I)=*\n! xcross - cross section (cm^2) for each (IO)=*\n! photolysis reaction defined, at input wavelength and =*\n! at defined altitude level =*\n! quant - quantum yield for each (IO)=*\n! photolysis reaction defined, at input wavelength and =*\n! at defined altitude level =*\n! JLABEL - CHARACTER*50, string identifier for each photolysis reaction (L)=*\n! defined =*\n!-----------------------------------------------------------------------------*\n\n IMPLICIT NONE\n\n! input\n\n INTEGER NW\n REAL WC\n \n INTEGER NZ\n\n REAL TEMP\n REAL AIRDEN\n\n! weighting functions\n\n CHARACTER(50) JLABEL\n REAL XCROSS,QUANT\n\n! local\n\n REAL YG\n REAL QY\n REAL A0, A1, A2, A3, A4, A5, A6, A7\n REAL B0, B1, B2, B3, B4\n REAL XS\n REAL T\n INTEGER I, IW, N, IDUM\n INTEGER IERR\n REAL LAMBDA\n REAL SUMA, SUMB, CHI\n\n**************** H2O2 photodissociation\n\n! cross section from Lin et al. 1978\n\n JLABEL = 'H2O2 ' ! 'H2O2 -> 2 OH'\n! quantum yield = 1\n\n\n QY = 1.0\n XS = 0.0\n \n! Parameterization (JPL06)\n\n A0 = 6.4761E+04 \n A1 = -9.2170972E+02 \n A2 = 4.535649 \n A3 = -4.4589016E-03 \n A4 = -4.035101E-05 \n A5 = 1.6878206E-07\n A6 = -2.652014E-10\n A7 = 1.5534675E-13\n\n B0 = 6.8123E+03\n B1 = -5.1351E+01\n B2 = 1.1522E-01\n B3 = -3.0493E-05\n B4 = -1.0924E-07\n\n! Range 260-350 nm; 200-400 K\n\n IF ((WC .GE. 260.) .AND. (WC .LT. 350.)) THEN\n\n LAMBDA = WC\n SUMA = ((((((A7*LAMBDA + A6)*LAMBDA + A5)*LAMBDA + \n & A4)*LAMBDA +A3)*LAMBDA + A2)*LAMBDA + \n & A1)*LAMBDA + A0\n SUMB = (((B4*LAMBDA + B3)*LAMBDA + B2)*LAMBDA + \n & B1)*LAMBDA + B0\n\n! sumA = 1.5534675E-13*lambda**7.0 - 2.652014E-10*lambda**6.0 \n! & + 1.6878206E-07*lambda**5.0 - 4.035101E-05*lambda**4.0\n! & - 4.4589016E-03*lambda**3.0 + 4.535649E+00*lambda**2.0 \n! & - 9.2170972E+02*lambda + 6.4761E+04\n\n! sumB = -1.0924E-07*lambda**4.0 - 3.0493E-05*lambda**3.0 \n! & + 1.1522E-01*lambda**2.0 - 5.1351E+01*lambda \n! & + 6.8123E+03\n\n T = MIN(MAX(TEMP,200.),400.) \n CHI = 1./(1.+EXP(-1265./T))\n XS = (CHI * SUMA + (1.-CHI)*SUMB)*1E-21\n\n ENDIF\n\n XCROSS = XS\n QUANT = QY\n\n RETURN\n END\n\n\n SUBROUTINE JHCHO_NASA_2006(NW, WC, NZ, TLEV, AIRDEN, XCROSS, QUANTR, QUANTM)\n\n!-----------------------------------------------------------------------------*\n! PURPOSE: =*\n! Provide cross section and quantum yields for CH2O photolysis =*\n! (a) CH2O + hv -> H + HCO =*\n! (b) CH2O + hv -> H2 + CO =*\n! Based on recommendations from NASA JPL (2006) \n!-----------------------------------------------------------------------------*\n! PARAMETERS: =*\n! NW - INTEGER, number of specified intervals + 1 in working (I)=*\n! wavelength grid =*\n! WL - REAL, vector of lower limits of wavelength intervals in (I)=*\n! working wavelength grid =*\n! WC - REAL, vector of center points of wavelength intervals in (I)=*\n! working wavelength grid =*\n! NZ - INTEGER, number of altitude levels in working altitude grid (I)=*\n! TLEV - REAL, temperature (K) at each specified altitude level (I)=*\n! AIRDEN - REAL, air density (molec/cc) at each altitude level (I)=*\n! J - INTEGER, counter for number of weighting functions defined (IO)=*\n! SQ - REAL, cross section x quantum yield (cm^2) for each (O)=*\n! photolysis reaction defined, at each defined wavelength and =*\n! at each defined altitude level =*\n! JLABEL - CHARACTER*50, string identifier for each photolysis reaction (O)=*\n! defined =*\n!-----------------------------------------------------------------------------*\n\n USE CSQY_REFER_DATA\n\n IMPLICIT NONE\n\n INTEGER KDATA\n PARAMETER(KDATA=16000)\n\n! input\n INTEGER NW\n REAL WL(KW), WC(KW)\n \n INTEGER NZ\n\n REAL TLEV(KZ)\n REAL AIRDEN(KZ)\n\n! weighting functions\n\n CHARACTER(50) JLABEL(3)\n REAL XCROSS(KW,KZ)\n REAL QUANTR(KW,KZ), QUANTM(KW,KZ)\n\n! input/output:\n\n INTEGER J, IZ, IW\n\n! data arrays\n\n INTEGER N\n REAL X(KDATA), Y(KDATA)\n REAL XL(KDATA), XC(KDATA), XU(KDATA)\n INTEGER N1, N2, N3, N4, N5\n REAL X1(KDATA), X2(KDATA), X3(KDATA), X4(KDATA), X5(KDATA)\n REAL Y1(KDATA), Y2(KDATA), Y3(KDATA), Y4(KDATA), Y5(KDATA)\n\n! local\n\n REAL YG(KW), YG1(KW), YG2(KW), YG3(KW), YG4(KW), YG5(KW)\n REAL A, B, C\n REAL A0, A1, A2, A3, A4, A5, A6, A7\n REAL B0, B1, B2, B3, B4\n REAL QY, QY1, QY2, QY3\n\n REAL SIGMA, SIG, SLOPE\n REAL XS\n REAL T\n REAL DUM\n INTEGER IDUM\n\n INTEGER I\n INTEGER IROW, ICOL, IREV\n INTEGER IERR\n\n INTEGER MOPT1, MOPT2\n\n CHARACTER(LEN=120) :: FILE_LINE\n LOGICAL EXISTS\n REAL WU(KW)\n REAL PRESSURE\n REAL PHI1, PHI2, PHI20, AK300, AKT\n REAL TDUM\n\n LOGICAL :: FIRSTCALL = .TRUE.\n\n\n! HCHO photodissociatation\n\n J = 1\n JLABEL(J) = 'HCHOR-06 ' ! 'CH2O -> H + HCO' \n\n J = J+1\n JLABEL(J) = 'HCHOM-06 ' ! 'CH2O -> H2 + CO'\n\n! compute upper limit of wavelength bins\n DO I = 1, NW\n WU(I) = 2.0*WC(I) - WL(I)\n ENDDO\n\n\n N = 150\n\n YG1 = 1.0E-20*YG1\n YG2 = 1.0E-24*YG2\n\n N = 112\n \n IF( FIRSTCALL )THEN\n\n! FIRSTCALL = .false.\n\n \n \n DO IW = 1, NW\nC write(6,'(i3,1X,f6.2,6(1x,es12.4))')iw,wc(iw), ! sig,qy1,qy2,\nC & HCHO_XC_300K(iw) ,HCHO_QUANTR_STP(iw),HCHO_QUANTM_STP(iw)\n\n TDUM = 265.0\n SIG = HCHO_XCROSS_300K(IW) \n IF(TDUM .LT. 300.0 .AND. TDUM .GT. 195.0)THEN\n SIG = SIG + HCHO_XCROSS_A(IW)*(TDUM-300.0)\n ELSEIF( TLEV(I) .LE. 195.0)THEN\n SIG = SIG - HCHO_XCROSS_A(IW)*105.0\n ENDIF\n \n QY1 = HCHO_QUANTR_STP(IW)\n IF ( (WC(IW) .GE. 330.) .AND. (HCHO_QUANTM_STP(IW) .GT. 0.) ) THEN\n PHI1 = HCHO_QUANTR_STP(IW)\n PHI2 = HCHO_QUANTM_STP(IW)\n PHI20 = 1. - PHI1\n AK300=((1./PHI2)-(1./PHI20)) ! IS DIVIDED BY 1 ATM\n IF( TDUM .LT. 300.0 .AND. TDUM .GT. 220.0)THEN\n PRESSURE = 82.06*(AIRDEN(I)/6.02E+23)*TDUM\n AKT = AK300\n & * (1.+0.05*(WC(IW)-329.0)*((TDUM-80.0)/80.0))\n ELSEIF( TDUM .LE. 220.0)THEN\n PRESSURE = 3.0E-20*AIRDEN(I)\n AKT = AK300\n & * (1.+0.0875*(WC(IW)-329.0))\n ELSEIF( TDUM .GE. 300)THEN\n PRESSURE = 4.09E-20*AIRDEN(I)\n AKT = AK300\n & * (1.+0.1375*(WC(IW)-329.0))\n ENDIF\nC PRINT*,PRESSURE, AIRDEN(I)/2.54E+19\nC PAUSE\n\n QY2 = 1. / ( (1./PHI20) + PRESSURE*AKT)\n\n ELSE\n QY2 = HCHO_QUANTM_STP(IW)\n ENDIF\n \n QY2 = MAX(0.0,QY2)\n QY2 = MIN(1.0,QY2)\n\nC WRITE(6,'(I3,1X,F6.2,6(1X,ES12.4))')IW,WC(IW),SIG,QY1,QY2,\nC & HCHO_XCROSS_300K(IW),HCHO_QUANTR_STP(IW),\nC & HCHO_QUANTM_STP(IW)\n\n ENDDO\n\n ENDIF\n\n DO IW = 1, NW\n DO I = 1, NZ\n! cross-section correction\n SIG = HCHO_XCROSS_300K(IW) \n IF(TLEV(I) .LT. 300.0 .AND. TLEV(I) .GT. 195.0)THEN\n SIG = SIG + HCHO_XCROSS_A(IW)*(TLEV(I)-300.0)\n ELSEIF( TLEV(I) .LE. 195.0)THEN\n SIG = SIG - HCHO_XCROSS_A(IW)*105.0\n ENDIF\n! corrections to quantum yields\n QY1 = HCHO_QUANTR_STP(IW)\n IF(WC(IW) .GE. 330.0 .AND. HCHO_QUANTM_STP(IW) .GT. 0.0)THEN\n PHI1 = HCHO_QUANTR_STP(IW)\n PHI2 = HCHO_QUANTM_STP(IW)\n PHI20 = 1.0 - PHI1\n AK300=((1./PHI2)-(1./PHI20)) ! IS DIVIDED BY 1 ATM\n IF(TLEV(I) .LT. 300.0 .AND. TLEV(I) .GT. 220.0)THEN\n PRESSURE = 82.06*(AIRDEN(I)/6.02E+23)*TLEV(I)\n AKT = AK300\n & * (1.+0.05*(WC(IW)-329.0)*((TLEV(I)-80.0)/80.0))\n ELSEIF(TLEV(I) .LE. 220.0)THEN\n PRESSURE = 3.0E-20*AIRDEN(I)\n AKT = AK300\n & * (1.+0.0875*(WC(IW)-329.0))\n ELSEIF(TLEV(I) .GE. 300.0)THEN\n PRESSURE = 4.09E-20*AIRDEN(I)\n AKT = AK300\n & * (1.+0.1375*(WC(IW)-329.0))\n ENDIF\n QY2 = 1.0/( 1.0/PHI20 + PRESSURE*AKT )\n ELSE\n QY2 = HCHO_QUANTM_STP(IW)\n ENDIF\n\n QY2 = MAX(0.0,QY2)\n QY2 = MIN(1.0,QY2)\n XCROSS(IW, I) = SIG\n QUANTR(IW, I) = QY1\n QUANTM(IW, I) = QY2\n\n ENDDO\n ENDDO\n\n\n RETURN\n END\n\n!============================================================================*\n\n SUBROUTINE NASA_NO3_QUANTAS(NW,WC,NZ,TLEV,AIRDEN,QYNO3_NO,\n & QYNO3_NO2)\n\n!-----------------------------------------------------------------------------*\n! PURPOSE: =*\n! Provide the quantum yield for =*\n! both channels of NO3 photolysis: =*\n! (a) NO3 + hv -> NO2 + O(3P) =*\n! (b) NO3 + hv -> NO + O2 =*\n!-----------------------------------------------------------------------------*\n! PARAMETERS: =*\n! NW - INTEGER, number of specified intervals + 1 in working (I)=*\n! wavelength grid =*\n! WL - REAL, vector of lower limits of wavelength intervals in (I)=*\n! working wavelength grid =*\n! WC - REAL, vector of center points of wavelength intervals in (I)=*\n! working wavelength grid =*\n! NZ - INTEGER, number of altitude levels in working altitude grid (I)=*\n! TLEV - REAL, temperature (K) at each specified altitude level (I)=*\n! AIRDEN - REAL, air density (molec/cc) at each altitude level (I)=*\n! J - INTEGER, counter for number of weighting functions defined (IO)=*\n! SQ - REAL, cross section x quantum yield (cm^2) for each (O)=*\n! photolysis reaction defined, at each defined wavelength and =*\n! at each defined altitude level =*\n! JLABEL - CHARACTER*50, string identifier for each photolysis reaction (O)=*\n! defined =*\n!-----------------------------------------------------------------------------*\n\n USE CSQY_REFER_DATA\n\n IMPLICIT NONE\n\nC INCLUDE 'params'\n\n! input\n\n INTEGER NW\n REAL WL(KW), WC(KW), WU(KW)\n \n INTEGER NZ\n\n REAL TLEV(KZ)\n REAL AIRDEN(KZ)\n\n! weighting functions\n\n CHARACTER*50 JLABEL(3)\n REAL SQ(1,KZ,KW)\n\n! input/output:\n INTEGER J\n\n! data arrays\n\n INTEGER KDATA\n PARAMETER(KDATA=350)\n\n REAL X1(KDATA)\n REAL Y1(KDATA),Y2(KDATA),Y3(KDATA)\n REAL Z1(KDATA),Z2(KDATA),Z3(KDATA)\n REAL QY1(KDATA),QY2(KDATA)\n REAL SLOPE\n\n! local\n\n REAL YG(KW), YG1(KW), YG2(KW)\n REAL TEMP_ADJ(KZ)\n REAL QYNO3_NO2(KW,KZ),QYNO3_NO(KW,KZ)\n REAL QY\n INTEGER IROW, ICOL\n INTEGER I, IW, N, IDUM\n INTEGER IERR\n INTEGER MABS\n CHARACTER(LEN=120) :: FILE_LINE\n LOGICAL :: EXISTS \n LOGICAL, SAVE :: FIRSTCALL = .TRUE.\n\n! for NO3 ->NO+O2\n J = 0\n J = J + 1\n JLABEL(J) = 'NO3NO-06 ' ! 'NO3 -> NO + O2'\n! for NO3 ->NO2+O\n J = J + 1\n JLABEL(J) = 'NO3NO2-6 ' ! 'NO3 -> NO2 + O(3P)'\n\n TEMP_ADJ = 1.0\n DO I = 1, NZ\n TEMP_ADJ(I) = (1.0-EXP(-1096.4/TLEV(I))\n & - 2.0*EXP(-529.5/TLEV(I)))\n & / (1.0-EXP(-1096.4/298.0)\n & - 2.0*EXP(-529.5/298.0))\n ENDDO\n\n DO I = 1, NW\n! compute upper limit of wavelength bins\n WU(I) = 2.0*WC(I) - WL(I)\n ENDDO\n\n DO I = 1, NZ\n DO IW = 1, NW\n QY1(IW) = NO3NO_QUANT_298K(IW)\n QY2(IW) = NO3NO2_QUANT_298K(IW)\n IF(TLEV(I) .LT. 298.0 .AND. TLEV(I) .GE. 230.0)THEN\n SLOPE = (NO3NO_QUANT_298K(IW)-NO3NO_QUANT_230K(IW))\n & / 68.0\n QY1(IW) = NO3NO_QUANT_230K(IW) + SLOPE*(TLEV(I)-230.0)\n SLOPE = (NO3NO2_QUANT_298K(IW)-NO3NO2_QUANT_230K(IW))\n & / 68.0\n QY2(IW) = NO3NO2_QUANT_230K(IW) + SLOPE*(TLEV(I)-230.0)\n ELSEIF(TLEV(I) .LT. 230.0 .AND. TLEV(I) .GE. 190.0)THEN\n SLOPE = (NO3NO_QUANT_230K(IW)-NO3NO_QUANT_190K(IW))\n & / 40.0\n QY1(IW) = NO3NO_QUANT_190K(IW) + SLOPE*(TLEV(I)-190.0)\n SLOPE = (NO3NO2_QUANT_230K(IW)-NO3NO2_QUANT_190K(IW))\n & / 40.0\n QY2(IW) = NO3NO2_QUANT_190K(IW) + SLOPE*(TLEV(I)-190.0)\n ELSEIF( TLEV(I) .LT. 190)THEN\n QY1(IW) = NO3NO_QUANT_190K(IW)\n QY2(IW) = NO3NO2_QUANT_190K(IW)\n ENDIF\n ENDDO\n\n DO IW = 1, NW\n QYNO3_NO(IW,I) = QY1(IW)*0.001\n!???ignor because the band averaging already accounts the below effect????\nC if(wc(iw) .le. WV_NO3_QY(1))then\nC QYNO3_NO(iw,i) = NO3NO_QUANT_298K(1)*0.001\nC QYNO3_NO2(iw,i) = NO3NO2_QUANT_298K(1)*0.001\nC else\n QYNO3_NO2(IW,I) = QY2(IW)*0.001\nC endif\n ENDDO\n ENDDO\n RETURN\n END\nC\n REAL FUNCTION QY_ACETONE(TEMP, DENS_NUMB, LAMBDA)\n\n! Computes acetone quantum yields according to:\n! IUPAC (2005) recommendation based on\n! Blitz, M. A., D. E. Heard, M. J. Pilling, S. R. Arnold, and M. P. Chipperfield \n! (2004), Pressure and temperature-dependent quantum yields for the \n! photodissociation of acetone between 279 and 327.5 nm, Geophys. \n! Res. Lett., 31, L06111, doi:10.1029/2003GL018793.\n IMPLICIT NONE\n\nC inputs\n REAL TEMP ! air temperature, K\n REAL DENS_NUMB ! air number density, 1/cm^3\n REAL LAMBDA ! wavelength, nm\n! local\n REAL A0 ! 1st coef for qy\n REAL A1 ! 2nd coef for qy\n REAL A2 ! 3rd coef for qy\n REAL A3 ! 4th coef for qy\n REAL A4 ! 5th coef for qy\n REAL A5 ! 6th coef for qy\n REAL A6 ! 7th coef for qy\n\n REAL PHI_CO ! CO branch of IUPAC (2005) acetone QYZ\n REAL PHI_CH3CO ! CH3CO branch of IUPAC (2005) acetone QYZ\n REAL AA ! scratch variable for IUPAC (2005) acetone QYZ\n REAL BB ! scratch variable for IUPAC (2005) acetone QYZ\n REAL CC ! scratch variable for IUPAC (2005) acetone QYZ\n\n IF( LAMBDA .GE. 248.0 .AND. LAMBDA .LE. 349.0)THEN\n\n AA = 0.350*(TEMP/295.0)**(-1.28)\n BB = 0.068*(TEMP/295.0)**(-2.65)\n A0 = (AA / (1.0 - AA))*exp(BB*(LAMBDA-248.0))\n PHI_CO = 1.0 / (1.0 + A0)\n\n IF( LAMBDA .LE. 302.0 ) THEN\nC 248-302 nm\n AA = 1.600*1.0E-19 *(TEMP/295.0)**(-2.38)\n BB = 0.55*1.0E-03 *(TEMP/295.0)**(-3.19)\n A1 = AA*exp( -BB*((1.0E+07/LAMBDA)-33113.0) )\n PHI_CH3CO = (1.0 - PHI_CO) / (1.0 + A1*DENS_NUMB)\n\nC 302-349 nm\n ELSE\n AA = 1.62*1.0E-17 *(TEMP/295.0)**(-10.03)\n BB = 1.79*1.0E-3 *(TEMP/295.0)**(-1.364)\n A2 = AA*exp(-BB*((1.0E+07/LAMBDA) - 30488.0))\n\n AA = 26.29* (TEMP/295.0)**(-6.59)\n BB = 5.72 *1.0E-7 *(TEMP/295.0)**(-2.93)\n CC = (30006.0) *(TEMP/295.0)**(-0.064)\n A3 = AA*exp(-BB*((1.0E+07/LAMBDA) - CC)**2.0)\n\n AA = 1.67*1.0E-15 *(TEMP/295.0)**(-7.25)\n BB = 2.08*1.0E-3 *(TEMP/295.0)**(-1.16)\n A4 = AA*exp(-BB *((1.0E+07/LAMBDA) - 30488.0))\n\n PHI_CH3CO = (1.0 - PHI_CO)\n & * (1.0 + A4*DENS_NUMB + A3) \n & / ( (1.0 + A2*DENS_NUMB + A3)\n & * (1.0 + A4*DENS_NUMB) ) \n ENDIF\n\n\n QY_ACETONE = PHI_CO + PHI_CH3CO\n\n ELSEIF(LAMBDA .LT. 248.0 .AND. LAMBDA .GT. 0.0)THEN ! set QY to 1.0\n! based on IUPAC (2005) data sheet\n\n PHI_CO = 0.05\n \n PHI_CH3CO = 0.95\n\n QY_ACETONE = PHI_CO + PHI_CH3CO\n\n ELSEIF(LAMBDA .GT. 349.0)THEN\n\n QY_ACETONE = 0.0\n\n ENDIF\n\n QY_ACETONE = MAX(0.0,MIN(1.0, QY_ACETONE))\n\n\n RETURN\n END\n\n! This file contains subroutines used for calculation of quantum yields for \n! various photoreactions:\n! qyacet - q.y. for acetone, based on Blitz et al. (2004)\n\n!*****************************************************************************\n\n REAL FUNCTION QY_ACETONE_TUV(T, M, w)\n!-----------------------------------------------------------------------------*\n! taken from Tropospheric Ultraviolet-Visible (TUV) radiation model =*\n! Version 4.6 =*\n!-----------------------------------------------------------------------------*\n! Compute acetone quantum yields according to the parameterization of:\n! Blitz, M. A., D. E. Heard, M. J. Pilling, S. R. Arnold, and M. P. Chipperfield \n! (2004), Pressure and temperature-dependent quantum yields for the \n! photodissociation of acetone between 279 and 327.5 nm, Geophys. \n! Res. Lett., 31, L06111, doi:10.1029/2003GL018793.\n\n IMPLICIT NONE\n\n! input:\n! T = temperature, K\n! m = air number density, molec. cm-3\n! w = wavelength, nm\n\n REAL w, T, M\n\n! internal:\n\n REAL a0, a1, a2, a3, a4\n REAL b0, b1, b2, b3, b4\n REAL c3\n REAL cA0, cA1, cA2, cA3, cA4\n\n! output\n! fco = quantum yield for product CO\n! fac = quantum yield for product CH3CO (acetyl radical)\n\n REAL fco, fac\n\n!** set out-of-range values:\n! use low pressure limits for shorter wavelengths\n! set to zero beyound 327.5\n\n IF(w .LT. 279. .AND. w .GE. 1.0) THEN\n fco = 0.05\n fac = 0.95\n QY_ACETONE_TUV = MAX(0.0,MIN(1.0, fco+fac))\n RETURN\n ENDIF\n\n IF(w .GT. 327.5 .OR. w .LT. 1.0) THEN\n fco = 0.\n fac = 0.\n QY_ACETONE_TUV = MAX(0.0,MIN(1.0, fco+fac))\n RETURN\n ENDIF\n\n!** CO (carbon monoxide) quantum yields:\n\n a0 = 0.350 * (T/295.)**(-1.28)\n b0 = 0.068 * (T/295.)**(-2.65)\n cA0 = exp(b0*(w - 248.)) * a0 / (1. - a0)\n\n fco = 1. / (1 + cA0)\n\n!** CH3CO (acetyl radical) quantum yields:\n\n IF(w .GE. 279. .AND. w .LT. 302.) THEN\n\n a1 = 1.600E-19 * (T/295.)**(-2.38)\n b1 = 0.55E-3 * (T/295.)**(-3.19)\n cA1 = a1 * EXP(-b1*((1.e7/w) - 33113.))\n \n fac = (1. - fco) / (1 + cA1 * M)\n\n ENDIF\n\n IF(w .GE. 302. .AND. w .LT. 327.5) THEN\n\n a2 = 1.62E-17 * (T/295.)**(-10.03)\n b2 = 1.79E-3 * (T/295.)**(-1.364)\n cA2 = a2 * EXP(-b2*((1.e7/w) - 30488.))\n\n\n a3 = 26.29 * (T/295.)**(-6.59)\n b3 = 5.72E-7 * (T/295.)**(-2.93)\n c3 = 30006 * (T/295.)**(-0.064)\n ca3 = a3 * EXP(-b3*((1.e7/w) - c3)**2)\n\n\n a4 = 1.67E-15 * (T/295.)**(-7.25)\n b4 = 2.08E-3 * (T/295.)**(-1.16)\n cA4 = a4 * EXP(-b4*((1.e7/w) - 30488.))\n\n fac = (1. - fco) * (1. + cA3 + cA4 * M) /\n $ ((1. + cA3 + cA2 * M)*(1. + cA4 * M))\n\n ENDIF\n\n QY_ACETONE_TUV = MAX(0.0,MIN(1.0, fco+fac))\n\n RETURN\n END\n\n!*******************************************************************************\n" }, { "path": "UTIL/inline_phot_preproc/src/xc_qy_td_effect_v2.F", "content": " SUBROUTINE XC_QY_TD_EFFECT(wl,wu,nw,tlev,dens,nz,\n & jlabel,xc,qy,sq)\n\n USE JPROC_PHOT_DATA\n\n IMPLICIT NONE\n\n! subroutine computes the product of the cross-section and\n! quantum yield over the atmospheric levels \n! includes temperature and pressure effect for select rates\n\n\n! input\n\n INTEGER nw\n REAL wl(kw)\n REAL wu(kw)\n \n INTEGER nz\n REAL tlev(kz) ! air temperature over model levels, deg K\n REAL dens(kz) ! air number density over level, 1/cm3\n\n CHARACTER*50 jlabel ! name of photolysis rate\n REAL xc(kw) ! cross-section from file\n REAL qy(kw) ! quantum yield from file\n REAL sq(kz,kw) ! cross-section times quantum yield over model levels\n\n! input/output:\n INTEGER i, j, n\n\n! local:\n\n INTEGER iw, ij, iz\n\n LOGICAL, SAVE :: FIRSTCALL = .TRUE.\n\n! output quantum yields\n\n CHARACTER(LEN= 60) :: cdum\n LOGICAL EXISTS\n REAL wc(kw)\n REAL PRESSURE\n real tdum, qdum, wdum\n\n\n\n* local\n\n\n REAL, EXTERNAL :: OZONE_YIELD\n REAL, EXTERNAL :: QY_ACETONE\n REAL, EXTERNAL :: QY_ACETONE_TUV\n\n REAL NO2_XCROSS(kw,kz), NO2_QUANT(kw,kz)\n REAL O3_XCROSS(kw,kz),O3_QUANT(kw,kz)\n REAL HCHO_XCROSS(kw,kz),HCHO_QUANTR(kw,kz),HCHO_QUANTM(kw,kz)\n REAL CLONO2_XCROSS(kw,kz)\n REAL QYNO3_NO2(kw,kz),QYNO3_NO(kw,kz)\n REAL sig, alpha\n\n*_______________________________________________________________________\n\n* complete wavelength grid\n\n DO 5, iw = 1, nw - 1\n wc(iw) = (wl(iw) + wl(iw+1))/2.\n 5 CONTINUE\nC define wc(nw) to floating point errors\n wc(nw) = wu(nw)\n \n\nC print*,'in XC_QY_TS_EFFECT for ', jlabel\n\n IF(FIRSTCALL)THEN\n\n CALL INIT_JPROC_DATA(wl,wu,wc,nw)\n\n ENDIF\n\n! computing data used for multiple rates\n\n DO iw = 1, nw-1\n DO iz = 1, nz\n\n if( tlev(iz) .lt. 293.0 .and. tlev(iz) .gt. 218.0)then\n O3_XCROSS(iw,iz) = (O3_XCROSS_293K(iw)-O3_XCROSS_218K(iw))\n & / 75.0\n & * (tlev(iz) - 218.0)\n & + O3_XCROSS_218K(iw)\n elseif( tlev(iz) .le. 218.0)then\n O3_XCROSS(iw,iz) = O3_XCROSS_218K(iw)\n elseif( tlev(iz) .ge. 293.0)then\n O3_XCROSS(iw,iz) = O3_XCROSS_293K(iw)\n endif\n\n O3_XCROSS(iw,iz) = O3_XCROSS(iw,iz)\n O3_QUANT( iw,iz) = OZONE_YIELD(wc(iw),tlev(iz)) \n\nC if(iz .eq. 1)then\nC write(6,2222),TLEV(IZ),' wv = ',wc(iw),' O3_XCROSS = ',\nC & O3_XCROSS(iw,iz),\nC & ' O3_QUANT = ',O3_QUANT(iw,iz)\nC2222 format('temp = ',f6.1,A,f6.1,5(A,ES12.4),A,ES12.4)\nC endif\n \n tdum = tlev(iz)-296.0\n \n CLONO2_XCROSS(iw,iz) = CLONO2_XCROSS0(iw)\n & * ( 1.0\n & + CLONO2_A1(iw)*tdum \n & + CLONO2_A2(iw)*tdum**2 )\n\nC if(iz .eq. 1)then\nC print*,TLEV(IZ),' wv = ',wc(iw),' CLONO2_XCROSS = ',\nC & CLONO2_XCROSS(iw,iz)\nC endif\n\n NO2_XCROSS(iw,iz) = NO2_XCROSS_294K(iw)\n IF(tlev(iz) .gt. 220.0 .and. tlev(iz) .lt. 294.0)THEN\n tdum = (NO2_XCROSS_294K(iw)-NO2_XCROSS_220K(iw))\n & * (tlev(iz)-220.0)/74.0\n NO2_XCROSS(iw,iz) = NO2_XCROSS_220K(iw)\n & + tdum \n ELSEIF(tlev(iz) .le. 220.0)THEN\n NO2_XCROSS(iw,iz) = NO2_XCROSS_220K(iw)\n ENDIF\n\n NO2_QUANT(iw,iz) = NO2_QUANT_298K(iw)\n IF(tlev(iz) .gt. 248.0 .and. tlev(iz) .lt. 294.0)THEN\n tdum = (NO2_QUANT_298K(iw)-NO2_QUANT_248K(iw))\n & * (tlev(iz)-248.0)/50.0\n NO2_QUANT(iw,iz) = NO2_QUANT_248K(iw)\n & + tdum \n ELSEIF(tlev(iz) .le. 248.0)THEN\n NO2_QUANT(iw,iz) = NO2_QUANT_248K(iw)\n ENDIF\n NO2_QUANT(iw,iz) = MIN(MAX(NO2_QUANT(iw,iz), 0.0), 1.0)\nC if(iz .eq. 1)then\nC write(6,2222),TLEV(IZ),' wv = ',wc(iw),' NO2_XCROSS = ',\nC & NO2_XCROSS(iw,iz),' NO2_QUANT = ',\nC & NO2_QUANT(iw,iz)\nC2222 format('temp = ',f6.1,A,f6.1,A,ES12.4,A,ES12.4)\nC endif\n\n\n ENDDO\n ENDDO\n\n\n\n CALL JHCHO_NASA_2006(nw,wl,wc,nz,tlev,dens, HCHO_XCROSS, \n & HCHO_QUANTR, HCHO_QUANTM)\n\n CALL NASA_NO3_QUANTAS(nw,wl,wc,nz,tlev,dens,QYNO3_NO,\n & QYNO3_NO2)\n\n\n sq = 0.0\n\n SELECT CASE( JLABEL ) \n CASE( 'IC3ONO2' , 'NTR_IUPAC04' )\n\n DO iw = 1, nw-1\n DO iz = 1, nz\n\n\n IF((wc(iw) .GE. 240.) .AND. (wc(iw) .Le. 340.))THEN\n\n if( tlev(iz) .lt. 360.0 .and. tlev(iz) .gt. 233.0)then\n sig = IC3ONO2_XCROSS_298K(iw)\n & * EXP(IC3ONO2_XCROSS_EXP(iw)*(tlev(iz)-298.0))\n elseif( tlev(iz) .le. 240.0)then\n sig = IC3ONO2_XCROSS_298K(iw)\n & * EXP(IC3ONO2_XCROSS_EXP(iw)*(-58.0))\n elseif( tlev(iz) .ge. 360.)then\n sig = IC3ONO2_XCROSS_298K(iw)\n & * EXP(IC3ONO2_XCROSS_EXP(iw)*(62.0))\n endif\n ELSE\n sig = IC3ONO2_XCROSS_298K(iw)\n ENDIF\n\n sq(iz, iw) = sig*qy(iw)\nC if(iz .eq. 1)then\nC write(6,2222),TLEV(IZ),' wv = ',wc(iw),\nC & ' IC3ONO2_XCROSS = ',sig\nC2222 format('temp = ',f6.1,A,f6.1,A,ES12.4,A,ES12.4)\nC endif\n\n ENDDO\n ENDDO\n\nC stop\nC print*,'XC_QY_TD_EFFECT: set sq for ',jlabel\n\n CASE( 'NO2-06' ) ! 'NO2 -> NO + O(3P)'\n\n DO iw = 1, nw-1\n DO i = 1, nz\n sq(i, iw) = NO2_XCROSS(iw,i)*NO2_QUANT(iw,i)\n ENDDO\n ENDDO\n\nC print*,'XC_QY_TD_EFFECT: set sq for ',jlabel\n\n CASE( 'N2O5_IUPAC04' )\n\n DO iw = 1, nw-1\n DO i = 1, nz\n\n tdum = MAX(195.0, MIN(tlev(i), 300.0))\n alpha = N2O5_XCROSS_EXP(iw)*(1.0/tdum - 1.0/298.0)\n sig = N2O5_XCROSS_298K(iw)\n & * EXP( alpha )\n\n sq(i,iw) = sig*QY(iw)\n\n ENDDO\n ENDDO\n\nC print*,'XC_QY_TD_EFFECT: set sq for ',jlabel\n\n CASE( 'NO2EX' ) ! 'NO2 -> NO2(excited)'\n\n DO iw = 1, nw-1\n DO i = 1, nz\n\n sq(i, iw) = NO2_XCROSS(iw,i)\n & * (1.0 - NO2_QUANT(iw,i))\n\n ENDDO\n ENDDO\n\nC print*,'XC_QY_TD_EFFECT: set sq for ',jlabel\n\n CASE( 'HNO4-06', 'HO2NO2_IUPAC04' ) ! 'HNO4 -> HO2 + NO2'\n\n DO iw = 1, nw-1\n DO i = 1, nz\n qdum = 1.0\n if(HO2NO2_XCROSS_A1(iw).gt. 0.0\n & .and. HO2NO2_XCROSS_A2(iw) .gt. 0.0)then\n tdum = 1.0+EXP(-988.0/(0.69*tlev(i)))\n sq(i, iw) = (HO2NO2_XCROSS_A1(iw)/tdum\n & + HO2NO2_XCROSS_A2(iw)*(1.0-1.0/tdum))\n & * qdum\n else\n sq(i, iw) = HO2NO2_XCROSS_296K(iw)*qdum\n endif\n ENDDO\n ENDDO\nC print*,'XC_QY_TD_EFFECT: set sq for ',jlabel\n\n\n CASE( 'NO3NO-06') ! 'NO3 -> NO + O2'\n\n \n\n DO iw = 1, nw - 1\n DO i = 1, nz\n tdum = (1.0-exp(-1096.4/tlev(i))\n & - 2.0*exp(-529.5/tlev(i)))\n & / (1.0-exp(-1096.4/298.0)\n & - 2.0*exp(-529.5/298.0))\n sq(i, iw) = xc(iw)*tdum*QYNO3_NO(iw,i)\n ENDDO\n ENDDO\n\nC print*,'XC_QY_TD_EFFECT: set sq for ',jlabel\n\n CASE( 'CLONO2-2' ) ! 'ClONO2 -> Cl + NO3'\n\n DO iw = 1, nw-1\n DO iz = 1, nz\n sq(iz, iw) = CLONO2_XCROSS(iw,iz)*qy(iw)\n ENDDO\n ENDDO\n\nC print*,'XC_QY_TD_EFFECT: set sq for ',jlabel\n\n CASE( 'CLONO2-1' ) ! 'ClONO2 -> ClO + NO2'\n\n DO iw = 1, nw-1\n DO iz = 1, nz\n sq(iz, iw) = CLONO2_XCROSS(iw,iz)*qy(iw)\n ENDDO\n ENDDO\n\nC print*,'XC_QY_TD_EFFECT: set sq for ',jlabel\n\n CASE( 'CCHO_R' ) ! 'CH3CHO -> CH3 + HCO'\n\n DO iw = 1, nw - 1\n DO i = 1, nz\n qdum = qy(iw) \n & * (1. + CCHO_YIELD_COEFF(iw))\n & / (1. + CCHO_YIELD_COEFF(iw)*dens(i)/2.465E19)\n sq(i, iw) = xc(iw)*qdum\nC if(i.eq.1)print*,dens(i),tlev(i),wl(iw),qy(iw),qdum\n\n ENDDO\n ENDDO\nC STOP\nC print*,'XC_QY_TD_EFFECT: set sq for ',jlabel\n\n CASE( 'PAN', 'PAN_IUPAC04' ) ! 'PAN + hv -> PRODUCTS'\n\n qdum = 1.0\n\n DO iw = 1, nw - 1\n DO i = 1, nz\n sig = PAN_XCROSS(iw) \n & * EXP(PAN_XCROSS_B(iw)*(tlev(i)-298.0))\n sq(i, iw) = sig*qdum\n\nC if(i.eq.1)print*,dens(i),tlev(i),wl(iw),xc(iw),sig\nC if(i .eq. 1)then\nC write(6,2222),TLEV(I),' wv = ',wc(iw),\nC & ' PAN_XCROSS = ',sig,\nC & ' XCROSS_FACTOR = ',\nC & EXP(PAN_XCROSS_B(iw)*(tlev(i)-298.0))\nC2222 format('temp = ',f6.1,A,f6.1,A,ES12.4,A,ES12.4)\nC endif\n\n ENDDO\n ENDDO\nC print*,'XC_QY_TD_EFFECT: set sq for ',jlabel\n\nC stop\n\n CASE( 'C2CHO' ) ! 'C2H5CHO -> C2H5 + HCO'\n\n DO iw = 1, nw - 1\n DO i = 1, nz\n IF (qy(iw) .LT. 1.0E-5) THEN\n qdum = 0.0\n ELSE\n qdum = 1.0\n & / (1.0 + (1.0/qy(iw) - 1.0)\n & * dens(i)/2.45e19)\n ENDIF\n qdum = MIN(qdum,1.0)\n sq(i, iw) = xc(iw)*qdum\nC if(i.eq.10)print*,tlev(i),wl(iw),qy(iw),qdum\n ENDDO\n ENDDO\nC STOP\nC print*,'XC_QY_TD_EFFECT: set sq for ',jlabel\n\n CASE( 'NO3NO2-6') ! 'NO3 -> NO2 + O(3P)'\n\n DO iw = 1, nw - 1\n DO i = 1, nz\n tdum = (1.0-exp(-1096.4/tlev(i))\n & - 2.0*exp(-529.5/tlev(i)))\n & / (1.0-exp(-1096.4/298.0)\n & - 2.0*exp(-529.5/298.0))\n sq(i, iw) = xc(iw)*tdum*QYNO3_NO2(iw,i)\n ENDDO\n ENDDO\nC print*,'XC_QY_TD_EFFECT: set sq for ',jlabel\n\n CASE( 'HNO3', 'HNO3_IUPAC04' )\n\n\n DO iw = 1, nw-1\n DO iz = 1, nz\n\nC IF((wc(iw) .GT. 192.0) .AND. (wc(iw) .LT. 350.))THEN\n\n sig = HNO3_XCROSS_298K(iw)\n & * EXP(HNO3_XCROSS_EXP(iw)*(tlev(iz)-298.0))\n\nC ELSE\n\nC sig = yg1(iw)\n\nC ENDIF\n\n! assumes a quantum yield equal to one \n\n sq(iz, iw) = sig\n\nC if(iz .eq. 1)then\nC write(*,'(f6.2,1X,A6,f6.2,A12,ES12.4,A,f6.2)'),TLEV(IZ),\nC & ' wv = ',wc(iw),' HNO3_XCROSS = ',\nC & sig,' Interpolated HNO3_QUANT = ',qy(iw)\nC endif\n\n\n ENDDO\n ENDDO\nC print*,'XC_QY_TD_EFFECT: set sq for ',jlabel\n\nC stop\n\n CASE( 'MVK-06')\n* quantum yield from\n* Gierczak, T., J. B. Burkholder, R. K. Talukdar, A. Mellouki, S. B. Barone,\n* and A. R. Ravishankara, Atmospheric fate of methyl vinyl ketone and methacrolein,\n* J. Photochem. Photobiol A: Chemistry, 110 1-10, 1997.\n* depends on pressure and wavelength, set upper limit to 1.0\nC However, chamber evaluations for SAPRC07T require a pressure correction where\nC number density coefficient is five times higher.\n DO iw = 1, nw - 1\n DO i = 1, nz\n sig = exp(-0.055*(wc(iw)-308.)) / \n $ (5.5 + 5.0*9.2e-19*dens(i))\n sig = min(sig, 1.)\n sq(i, iw) = xc(iw)* sig\nC if(i.eq.1)print*,wc(iw),exp(-0.055*(wc(iw)-308.)),\nC & dens(i),(5.5 + 5.0*9.2e-19*dens(i)),\nC & sig\n\n ENDDO\n ENDDO\nC print*,'XC_QY_TD_EFFECT: set sq for ',jlabel\n\n CASE( 'MACR-06')\n\n* quantum yield based on 2.76 times MVK from\n* Gierczak, T., J. B. Burkholder, R. K. Talukdar, A. Mellouki, S. B. Barone,\n* and A. R. Ravishankara, Atmospheric fate of methyl vinyl ketone and methacrolein,\n* J. Photochem. Photobiol A: Chemistry, 110 1-10, 1997.\n* depends on pressure and wavelength, set upper limit to 1.0\nC However, chamber evaluations for SAPRC07T require a pressure correction where\nC number density coefficient is five times higher.\n DO iw = 1, nw - 1\n DO i = 1, nz\n sig = 2.76*exp(-0.055*(wc(iw)-308.)) / \n $ (5.5 + 5.0*9.2e-19*dens(i))\n sig = min(sig, 1.)\n sq(i, iw) = xc(iw)* sig\nC if(i.eq.1)print*,wc(iw),exp(-0.055*(wc(iw)-308.)),\nC & dens(i),(5.5 + 5.0*9.2e-19*dens(i)),\nC & sig\n\n ENDDO\n ENDDO\n\nC print*,'XC_QY_TD_EFFECT: set sq for ',jlabel\n\n CASE( 'MEK-06')\n* Quantum Yields from \n* Raber, W.H. (1992) PhD Thesis, Johannes Gutenberg-Universitaet, Mainz, Germany.\n* other channels assumed negligible (less than 10%).\n* Total quantum yield = 0.38 at 760 Torr. but Carter\n* adjusts to 0.175 based on chamber tests and sets the values in\n* mechanism definition file.\n* Stern-Volmer form given: 1/phi = 0.96 + 2.22e-3*P(torr)\n* compute local pressure in torr\n DO iw = 1, nw-1\n\nC print*, jlabel(j),xc(iw),qy(iw)\n\n DO i = 1, nz\n! ptorr = (760.*dens(i)/2.69e19)\n! ptorr = (1.03547E-19*dens(i)*tlev(i))\n PRESSURE = (1.03547E-19*dens(i)*tlev(i)) ! torr \n! sig = 1.0 ! (0.96 + 2.22E-3*760.0)\n! & / (0.96 + 2.22E-3*(1.03547E-19*dens(i)*tlev(i)))\n \n IF( PRESSURE .lt. 181.0 )THEN \n qdum = 1.0\n sig = 2.645\n & / (0.96 + 2.22E-3*(181.0))\n ELSE\n sig = 2.645\n & / (0.96 + 2.22E-3*PRESSURE)\n qdum = 1.0\n & / (0.96 + 2.22E-3*PRESSURE)\n ENDIF\nC sig = MIN(sig, 1.0)/2.649078\n sq(i, iw) = xc(iw)* sig\nC print*,sig,2.22E-3*1.03547E-19*dens(i)*tlev(i)+0.96,\nC & 2.22E-3*(760.*dens(i)/2.69e19)+0.96\n\n ENDDO\n ENDDO\nC print*,'XC_QY_TD_EFFECT: set sq for ',jlabel\n\n CASE( 'H2O2', 'H2O2_SAPRC99' )\n\n\n DO i = 1, nz\n DO iw = 1, nw\n IF(wc(iw) .GE. 260.0 .AND. wc(iw) .LT. 350.0) THEN\n\n CALL JH2O2_260t350nm(wc(iw),tlev(i),dens(i),\n & sig,qdum)\n! qdum = 1.0\n\n ELSE\n sig = xc(iw)\n qdum = qy(iw)\n ENDIF\n\n sq(i, iw) = sig*qdum\n \n! if(i .eq. 1)then\n! write(6,2222),TLEV(IZ),' wv = ',wc(iw),\n! & ' H2O2_XCROSS = ',sig,\n! & ' H2O2_QUANT = ',qdum\n!2222 format('temp = ',f6.1,A,f6.1,A,ES12.4,A,ES12.4)\n! endif\n\n\n ENDDO\n ENDDO\n\n\nC print*,'XC_QY_TD_EFFECT: set sq for ',jlabel\n\n\n CASE( 'MGLY-06' , 'BACL-07', 'MGLY_IUPAC04' )\n\nC print*,jlabel\n DO iw = 1, nw-1\nC qy(iw) = MIN( qy(iw), 1.0)\nC qy(iw) = MAX( qy(iw), 0.0)\n\n DO i = 1, nz\n\n PRESSURE = (1.03547E-19*dens(i)*tlev(i)) ! torr \n PRESSURE = MIN(472.0, PRESSURE)\n qy(iw) = MIN( qy(iw), 1.0)\n qy(iw) = MAX( qy(iw), 0.0)\n\nC Pressure dependence based on Koch and Moortgat (1998), \nC J. Phys. Chem. A, vol 102, pages 9142. The application contradicts\nC NASA (2006) & IUPAC (2005) and is used based recommendations for\nC SAPRC07T photolysis rates by William Carter (2009)\n\n IF(wc(iw) .LT. 500.0 .AND. wc(iw) .gt. 240.0)THEN\n IF( qy(iw) .GT. 0.0 .AND. qy(iw) .LT. 1.0)THEN\n qdum = 1.36e8*(472.0)*EXP(-8793/wc(iw))\n & / ( 1.0/qy(iw) - 1.0 )\n sig = qdum\n & /(qdum+1.36e8*EXP(-8793/wc(iw))*PRESSURE)\n ENDIF\n ELSEIF(wc(iw) .le. 240.0)THEN\n sig = qy(iw)\n ELSEIF(wc(iw) .ge. 500.0)THEN\n sig = 0.0\n ENDIF\n\nC sig = qy(iw)\n sq(i, iw) = xc(iw)*sig \nC if(wc(iw).lt.290 .and. wc(iw) .gt. 285.)then\nC print*,pressure,wc(iw),xc(iw),qy(iw),\nC & sig,sq(iz, iw) \nC endif\n\n ENDDO\n ENDDO\nC print*,'XC_QY_TD_EFFECT: set sq for ',jlabel\n\nC stop\n\n CASE( 'ACRO-09', 'ACROLEIN_SAPRC99')\n\n DO iw = 1, nw-1\n\n DO i = 1, nz\n\n qy(iw) = MIN( qy(iw), 1.0)\n qy(iw) = MAX( qy(iw), 0.0)\n\nC Number density dependence based on Gardner et. al (1997), \nC J. Phys. Chem., vol 91, pages 1922. The application uses\nC the quantum yields set in in cross-section file. For \nC SAPRC07T, yields set approximation four times NASA (2006)\nC because the mechanism developer sums over all possible channels and\nC Gardner et. al may support this conclusion. \n\n IF(dens(i) .ge. 8.0e+17)THEN\n qdum = (4.0E-3+1.0/(8.6E-2+1.613E-17*dens(i)))\n & / 0.006384\n ELSEIF(dens(i) .lt. 8.0e+17)THEN\n qdum = 12.00713\n ENDIF\n\n sig = qy(iw)*qdum\nC sig = qy(iw)\n sq(i, iw) = xc(iw)*sig \nC if(i .eq. 1 .and. (wc(iw).lt.290 .and. wc(iw) .gt. 285.))then\nC if(i .eq. 1 )then\nC print*,wc(iw),xc(iw),qy(iw),qdum,\nC & sig,sq(iz, iw) \nC endif\n\n ENDDO\n ENDDO\n\nC print*,'XC_QY_TD_EFFECT: set sq for ',jlabel\n\n CASE( 'HCHOR-06', 'HCHO_R_SAPRC99' ) ! 'CH2O -> H + HCO' \n\n DO iw = 1, nw-1\n DO iz = 1, nz\n if( jlabel .eq. 'HCHOR-06' )then\n sq(iz, iw) = HCHO_XCROSS(iw,iz)*HCHO_QUANTR(iw,iz)\n else\n sq(iz, iw) = HCHO_XCROSS(iw,iz)*qy(iw)\n endif\nC if(iz .eq. 1)then\nC write(6,2222),TLEV(IZ),' wv = ',wc(iw),\nC & ' HCHO_XCROSS = ',HCHO_XCROSS(iw,iz),\nC & ' HCHOR_QUANT = ',HCHO_QUANTR(iw,iz)\nC2222 format('temp = ',f6.1,A,f6.1,A,ES12.4,A,ES12.4)\nC endif\n ENDDO\n ENDDO\n\nC stop\nC print*,'XC_QY_TD_EFFECT: set sq for ',jlabel\n\n CASE( 'HCHOM-06', 'HCHO_M_SAPRC99' ) ! 'CH2O -> H2 + CO'\n\n DO iw = 1, nw-1\n DO iz = 1, nz\n if( jlabel .eq. 'HCHOM-06' )then\n sq(iz, iw) = HCHO_XCROSS(iw,iz)*HCHO_QUANTM(iw,iz)\n else\n sq(iz, iw) = HCHO_XCROSS(iw,iz)*qy(iw)\n endif\n ENDDO\n ENDDO\nC print*,'XC_QY_TD_EFFECT: set sq for ',jlabel\n\n CASE( 'O3O1D-06', 'O3_O1D_IUPAC04') ! 'O3 -> O2 + O(1D)'\n\n DO iw = 1, nw-1\n DO iz = 1, nz\n sq(iz, iw) = O3_XCROSS(iw,iz)*O3_QUANT(iw,iz)\n ENDDO\n ENDDO\nC print*,'XC_QY_TD_EFFECT: set sq for ',jlabel\n\n CASE( 'O3O3P-06', 'O3_O3P_IUPAC04' ) ! 'O3 -> O2 + O(3P)'\n\n DO iw = 1, nw-1\n DO iz = 1, nz\n sq(iz, iw) = O3_XCROSS(iw,iz)\n & * (1.0 - O3_QUANT(iw,iz))\n ENDDO\n ENDDO\nC print*,'XC_QY_TD_EFFECT: set sq for ',jlabel\n\n CASE( 'ACET-06' ) ! 'CH3COCH3 -> products'\n\n\n DO iw = 1, nw-1\n DO iz = 1, nz\n\n sig = (XC_D_ACETONE(IW)\n & + XC_A_ACETONE(IW)*tlev(iz)\n & + XC_B_ACETONE(IW)*tlev(iz)**2\n & + XC_C_ACETONE(IW)*tlev(iz)**3)\n & * XCROSS_ACETONE_298K( IW )\n\n sig = XCROSS_ACETONE_298K( IW )\n\n qdum = QY_ACETONE(tlev(iz),dens(iz),wc(iw))\nC qdum = QY_ACETONE_TUV(tlev(iz),dens(iz),wc(iw))\n\n sq(iz, iw) = sig*qdum\n\nC if(iz .eq. 1)then\nC write(6,2222),TLEV(IZ),' wv = ',wc(iw),\nC & ' ACETONE_XCROSS = ',sig,\nC & ' ACETONE_QUANT = ',qdum\nC2222 format('temp = ',f6.1,A,f6.1,A,ES12.4,A,ES12.4)\nC endif\n\n ENDDO\n ENDDO\nC print*,'XC_QY_TD_EFFECT: set sq for ',jlabel\n\nC\n CASE( 'CL2', 'CL2_IUPAC04' )\n\n! NASA (2006) and IUPAC(2005) recommended cross-section as a function of\n! wavelength and temperature taken from\n! D. Maric et al. (1993) J. Photochem. Photobiol. A: Chem. 70, 205.\n\n DO iw = 1, nw-1\n DO iz = 1, nz\n\n tdum = tlev(iz)\n if(tlev(iz) .gt. 300.0)then\n tdum = 300.0\n elseif(tlev(iz) .lt. 195.0)then\n tdum = 195.0\n else\n tdum = tlev(iz)\n endif \n\n alpha = TANH(470.676/tdum)\n if(wc(iw) .gt. 550.0)then\n sig = 0.0\n elseif(wc(iw) .lt. 250.0)then\n sig = 0.0\n else\n wdum = wc(iw)\n sig = sqrt(alpha)\n & * (27.3 *exp(-99.0*alpha*(log(329.5/wdum))**2)\n & + 0.932*exp(-91.5*alpha*(log(406.5/wdum))**2))\n endif \n\n! IUPAC (2005) and NASA (2006) recommend quantum yield equal to one when\n! cross-section is nonzero\n\n sq(iz, iw) = 1.0E-20*sig\n\n! if(iz .eq. 1)then\n! write(*,'(f6.2,1X,A6,f6.2,A12,ES12.4,A,f6.2)'),TLEV(IZ),\n! & ' wv = ',wc(iw),' CL2_XCROSS = ',\n! & sig,' Interpolated CL2_QUANT = ',qy(iw)\n! endif\n\n ENDDO\n ENDDO\nC print*,'XC_QY_TD_EFFECT: set sq for ',jlabel\n\n CASE DEFAULT\n\n\nC print*,' using default case for ',jlabel\n \n DO iw = 1, nw-1\n DO iz = 1, nz\n sq(iz, iw) = xc(iw)*qy(iw)\n ENDDO\n ENDDO\n\n END SELECT \n\n \n\nC DO iw = 1, nw\nC DO iz = 1, nz\nC sq(iz, iw) = xc(iw)*qy(iw)\nC ENDDO\nC ENDDO\n \n \n FIRSTCALL = .FALSE.\n\n****************************************************************\n\nC pause\n\n RETURN\n END\nC\n FUNCTION OZONE_YIELD(w,t)\n*-----------------------------------------------------------------------------*\n*= taken from Tropospheric Ultraviolet-Visible (TUV) radiation model =*\n*= Version 4.5 =*\n*= Sep 2007 =*\n*-----------------------------------------------------------------------------*\n*= PURPOSE: =*\n* function to calculate the quantum yield O3 + hv -> O(1D) + O2, =*\n* according to: \n* Matsumi, Y., F. J. Comes, G. Hancock, A. Hofzumanhays, A. J. Hynes,\n* M. Kawasaki, and A. R. Ravishankara, QUantum yields for production of O(1D)\n* in the ultraviolet photolysis of ozone: Recommendation based on evaluation\n* of laboratory data, J. Geophys. Res., 107, 10.1029/2001JD000510, 2002.\n*-----------------------------------------------------------------------------*\n*= TUV model developed by Sasha Madronich with important contributions from: =*\n*= Chris Fischer, Siri Flocke, Julia Lee-Taylor, Bernhard Meyer, =*\n*= Irina Petropavlovskikh, Xuexi Tie, and Jun Zen. =*\n*= To contact the author, write to: =*\n*= Sasha Madronich, NCAR/ACD, P.O.Box 3000, Boulder, CO, 80307-3000, USA or =*\n*= send email to: sasha@ucar.edu or tuv@acd.ucar.edu =*\n*-----------------------------------------------------------------------------*\n*= This program is free software; you can redistribute it and/or modify =*\n*= it under the terms of the GNU General Public License as published by the =*\n*= Free Software Foundation; either version 2 of the license, or (at your =*\n*= option) any later version. =*\n*= The TUV package is distributed in the hope that it will be useful, but =*\n*= WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTIBI- =*\n*= LITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public =*\n*= License for more details. =*\n*= To obtain a copy of the GNU General Public License, write to: =*\n*= Free Software Foundation, Inc., 675 Mass Ave, Cambridge, MA 02139, USA. =*\n*-----------------------------------------------------------------------------*\n*= Copyright (C) 1994,95,96,97,98,99,2000,01,02,03, 04, 05, 06, 07 =*\n*= by the University Corporation for Atmospheric Research =*\n*-----------------------------------------------------------------------------*\n IMPLICIT NONE\n\n REAL w ! wavelength, nm\n REAL t ! temperature, deg K\n REAL OZONE_YIELD ! dimensionaless\n\nC local variables\n\n REAL kt\n REAL A(3), X(3), om(3)\n REAL q1, q2 \n\n DATA A/ 0.8036, 8.9061, 0.1192/\n DATA X/ 304.225, 314.957, 310.737/\n DATA om/ 5.576, 6.601, 2.187/\n \n OZONE_YIELD = 0.\n kt = 0.695 * t\n q1 = 1.\n q2 = exp(-825.518/kt)\n \n IF(w .LE. 305.) THEN\n OZONE_YIELD = 0.90\n ELSEIF(w .GT. 305. .AND. w .LE. 328.) THEN\n\n OZONE_YIELD = 0.0765 + \n $ a(1)* (q1/(q1+q2))*EXP(-((x(1)-w)/om(1))**4)+ \n $ a(2)*(T/300.)**2 *(q2/(q1+q2))*EXP(-((x(2)-w)/om(2))**2)+\n $ a(3)*(T/300.)**1.5 *EXP(-((x(3)-w)/om(3))**2)\n\n ELSEIF(w .GT. 328. .AND. w .LE. 340.) THEN\n OZONE_YIELD = 0.08\n ELSEIF(w .GT. 340.) THEN\n OZONE_YIELD = 0.\n ENDIF\n\n END\n\n*=============================================================================*\n\n SUBROUTINE JH2O2_260t350nm(wc,temp,airden,xcross,quant)\n*-----------------------------------------------------------------------------*\n*= taken from Tropospheric Ultraviolet-Visible (TUV) radiation model =*\n*= Version 4.5 =*\n*= Sep 2007 =*\n*-----------------------------------------------------------------------------*\n*= PURPOSE: =*\n*= Provide cross section and quantum yield for H2O2 photolysis =*\n*= H2O2 + hv -> 2 OH between 260 and 350 nm =*\n*= Otherwise use Cross section from JPL97, tabulated values @ 298K \n*= Quantum yield: Assumed to be unity =*\n*-----------------------------------------------------------------------------*\n*= PARAMETERS: =*\n*= WC - REAL, center points of wavelength interval (I)=*\n*= TLEV - REAL, temperature (K) at altitude level (I)=*\n*= AIRDEN - REAL, air density (molec/cc) at altitude level (I)=*\n*= xcross - cross section (cm^2) for each (IO)=*\n*= photolysis reaction defined, at input wavelength and =*\n*= at defined altitude level =*\n*= quant - quantum yield for each (IO)=*\n*= photolysis reaction defined, at input wavelength and =*\n*= at defined altitude level =*\n*= JLABEL - CHARACTER*50, string identifier for each photolysis reaction (L)=*\n*= defined =*\n*-----------------------------------------------------------------------------*\n\n IMPLICIT NONE\n\n* input\n\n INTEGER nw\n REAL wc\n \n INTEGER nz\n\n REAL temp\n REAL airden\n\n* weighting functions\n\n CHARACTER*50 jlabel\n REAL xcross,quant\n\n* local\n\n REAL yg\n REAL qy\n REAL a0, a1, a2, a3, a4, a5, a6, a7\n REAL b0, b1, b2, b3, b4\n REAL xs\n REAL t\n INTEGER i, iw, n, idum\n INTEGER ierr\n REAL lambda\n REAL sumA, sumB, chi\n\n**************** H2O2 photodissociation\n\n* cross section from Lin et al. 1978\n\n jlabel = 'H2O2 ' ! 'H2O2 -> 2 OH'\n\n\n A0 = 6.4761E+04 \n A1 = -9.2170972E+02 \n A2 = 4.535649 \n A3 = -4.4589016E-03 \n A4 = -4.035101E-05 \n A5 = 1.6878206E-07\n A6 = -2.652014E-10\n A7 = 1.5534675E-13\n\n B0 = 6.8123E+03\n B1 = -5.1351E+01\n B2 = 1.1522E-01\n B3 = -3.0493E-05\n B4 = -1.0924E-07\n\n* quantum yield = 1\n\n\n qy = 1.0\n xs = 0.0\n\n \n* Parameterization (JPL06)\n* Range 260-350 nm; 200-400 K\n\n IF ((wc .GE. 260.) .AND. (wc .LT. 350.)) THEN\n\n lambda = wc\n sumA = ((((((A7*lambda + A6)*lambda + A5)*lambda + \n > A4)*lambda +A3)*lambda + A2)*lambda + \n > A1)*lambda + A0\n sumB = (((B4*lambda + B3)*lambda + B2)*lambda + \n > B1)*lambda + B0\n\n t = MIN(MAX(temp,200.),400.) \n chi = 1./(1.+EXP(-1265./t))\n xs = (chi * sumA + (1.-chi)*sumB)*1E-21\n\n ENDIF\n\n xcross = xs\n quant = qy\n\n RETURN\n\n END\n\n\n SUBROUTINE JHCHO_NASA_2006(nw,wl,wc,nz,tlev,airden, xcross, \n & quantr, quantm)\n\n*-----------------------------------------------------------------------------*\n*= PURPOSE: =*\n*= Provide cross section and quantum yields for CH2O photolysis =*\n*= (a) CH2O + hv -> H + HCO =*\n*= (b) CH2O + hv -> H2 + CO =*\n*= Based on recommendations from NASA JPL (2006) \n*-----------------------------------------------------------------------------*\n*= PARAMETERS: =*\n*= NW - INTEGER, number of specified intervals + 1 in working (I)=*\n*= wavelength grid =*\n*= WL - REAL, vector of lower limits of wavelength intervals in (I)=*\n*= working wavelength grid =*\n*= WC - REAL, vector of center points of wavelength intervals in (I)=*\n*= working wavelength grid =*\n*= NZ - INTEGER, number of altitude levels in working altitude grid (I)=*\n*= TLEV - REAL, temperature (K) at each specified altitude level (I)=*\n*= AIRDEN - REAL, air density (molec/cc) at each altitude level (I)=*\n*= J - INTEGER, counter for number of weighting functions defined (IO)=*\n*= SQ - REAL, cross section x quantum yield (cm^2) for each (O)=*\n*= photolysis reaction defined, at each defined wavelength and =*\n*= at each defined altitude level =*\n*= JLABEL - CHARACTER*50, string identifier for each photolysis reaction (O)=*\n*= defined =*\n*-----------------------------------------------------------------------------*\n\n USE JPROC_PHOT_DATA\n\n IMPLICIT NONE\n\n INTEGER kdata\n PARAMETER(kdata=16000)\n\n* input\n\n INTEGER nw\n REAL wl(kw), wc(kw)\n \n INTEGER nz\n\n REAL tlev(kz)\n REAL airden(kz)\n\n* weighting functions\n\n CHARACTER*50 jlabel(1)\n REAL xcross(kw,kz)\n REAL quantr(kw,kz), quantm(kw,kz)\n\n* input/output:\n\n INTEGER j, iz, iw\n\n* data arrays\n\n INTEGER n\n real x(kdata), y(kdata)\n real xl(kdata), xc(kdata), xu(kdata)\n INTEGER n1, n2, n3, n4, n5\n REAL x1(kdata), x2(kdata), x3(kdata), x4(kdata), x5(kdata)\n REAL y1(kdata), y2(kdata), y3(kdata), y4(kdata), y5(kdata)\n\n* local\n\n REAL yg(kw), yg1(kw), yg2(kw), yg3(kw), yg4(kw), yg5(kw)\n REAL a, b, c\n REAL a0, a1, a2, a3, a4, a5, a6, a7\n REAL b0, b1, b2, b3, b4\n REAL qy, qy1, qy2, qy3\n\n REAL sigma, sig, slope\n REAL xs\n REAL t\n REAL dum\n INTEGER idum\n\n INTEGER i\n INTEGER irow, icol, irev\n INTEGER ierr\n\n INTEGER mopt1, mopt2\n\n CHARACTER(LEN=120) :: FILE_LINE\n LOGICAL EXISTS\n LOGICAL :: FIRSTCALL = .TRUE.\n REAL wu(kw)\n REAL PRESSURE\n REAL phi1, phi2, phi20, ak300, akt\n real tdum\n\n\n*_______________________________________________________________________\n\n DO 5, iw = 1, nw - 1\n wc(iw) = (wl(iw) + wl(iw+1))/2.\n 5 CONTINUE\n\nC HCHO photodissociatation\n\n j = 1\n jlabel(j) = 'HCHOR-06 ' ! 'CH2O -> H + HCO' \n\n j = j+1\n jlabel(j) = 'HCHOM-06 ' ! 'CH2O -> H2 + CO'\n\n do i = 1, nw-1\n! compute upper limit of wavelength bins\n wu(i) = 2.0*wc(i) - wl(i)\n enddo\n wu(nw)=wu(nw-1)+2*(wc(nw-1) - wl(nw-1))\n \n! INQUIRE(FILE='DATAJ1/JPROC_CSQY/NASA_2006-HO2NO2_photolysis.dat',\n! & EXIST=exists)\n\n\n! IF( .NOT. EXISTS)THEN\n! print*,' NASA_2006-HCHO_photolysis.dat not found '\n! stop\n! else\nC print*,' NASA_2006-HO2NO2_photolysis.dat found '\n! endif\n\n! OPEN(UNIT=kin,\n! & FILE='DATAJ1/JPROC_CSQY/NASA_2006-HCHO_photolysis.dat',\n! & STATUS='old')\n \n \n! print*,'trying to read NASA HCHO data'\n! DO i = 1, 6\n! read(kin,'(a)', err = 3045)FILE_LINE\n! IF(i .lt. 6 .AND. FIRSTCALL)WRITE(UNIT_BLOCK,'(a)')FILE_LINE\nC print*,file_line\n! ENDDO\n\nC i = 1\nC read(kin,'(a)', err = 3013)FILE_LINE\nC read(FILE_LINE,*)x1(i),y1(i),y2(i),y3(i)\nC print*,x1(i),y1(i),y2(i),y3(i),\n\n\n n = 150\n! DO i = 1, n\n! read(kin,'(a)',err = 3045)FILE_LINE\n! IF(FILE_LINE(1:4) .EQ. '!END')THEN\n! print*,'ERROR: in file: '\n! print*,'DATAJ1/JPROC_CSQY/NASA_2006-HCHO_photolysis.dat'\n! print*,'Expect numerical input, but read,'\n! print*,FILE_LINE\n! STOP\n! ELSE\n! read(FILE_LINE,*)x1(i),y1(i),y2(i)\nC print*,x1(i),y1(i),y2(i),y3(i)\n!\n! ENDIF\n! ENDDO\n\n\n\n! CALL INTAVG (x1, y1, n, 'C', wl, wu, yg1, nw)\n! CALL INTAVG (x1, y2, n, 'C', wl, wu, yg2, nw)\n\n! IF(FIRSTCALL)THEN\n! y1 = 1.0e-20*y1\n! y2 = 1.0e-24*y2\n!\n! CALL INTAVG (WV_HCHO_XC, HCHO_XC_300K, N_HCHO_XC,\n! & 'C', wl, wu, HCHO_XCROSS_300K, nw)\n! CALL INTAVG (WV_HCHO_XC, HCHO_XC_A, N_HCHO_XC,\n! & 'C', wl, wu, HCHO_XCROSS_A, nw)\n \n! CALL WRBF12D_HEADER (UNIT_BLOCK,5,N,x1,'N_HCHO_XC',\n! & 'WV_HCHO_XC','E')\n\n! CALL WRBF12D_HEADERB(UNIT_BLOCK,5,N,y1,'N_HCHO_XC',\n! & 'HCHO_XC_300K','E')\n\n! CALL WRBF12D_HEADERB(UNIT_BLOCK,5,N,y2,'N_HCHO_XC',\n! & 'HCHO_XC_A','E')\n! ENDIF\n\n yg1 = 1.0e-20*yg1\n yg2 = 1.0e-24*yg2\n\nC pause\n! DO i = 1, 7\n! read(kin,'(a)', err = 3045)FILE_LINE\n! IF(i .lt. 7 .AND. FIRSTCALL)WRITE(UNIT_BLOCK,'(a)')FILE_LINE\nC print*,file_line\n! ENDDO\n n = 112\n! DO i = 1, n\n! read(kin,'(a)',err = 3045)FILE_LINE\n! IF(FILE_LINE(1:4) .EQ. '!END')THEN\n! print*,'ERROR: in file: '\n! print*,'DATAJ1/JPROC_CSQY/NASA_2006-HCHO_photolysis.dat'\n! print*,'Expect numerical input, but read,'\n! print*,FILE_LINE\n! STOP\n! ELSE\n! read(FILE_LINE,*)x1(i),y1(i),y2(i)\nC print*,x1(i),y1(i),y2(i)\n\n! ENDIF\n! ENDDO\n\n! CALL INTAVG (x1, y1, n, 'C', wl, wu, yg3, nw)\n! CALL INTAVG (x1, y2, n, 'C', wl, wu, yg4, nw)\n\n\n! IF(FIRSTCALL)THEN\n\n! CALL WRBF12D_HEADER (UNIT_BLOCK,5,N,x1,'N_HCHO_QY',\n! & 'WV_HCHO_QY','E')\n\n! CALL WRBF12D_HEADERB(UNIT_BLOCK,5,N,y1,'N_HCHO_QY',\n! & 'HCHO_QYR','E')\n\n! CALL WRBF12D_HEADERB(UNIT_BLOCK,5,N,y2,'N_HCHO_QY',\n! & 'HCHO_QYM','E')\n\n\n! CALL INTAVG (WV_HCHO_QY, HCHO_QYR, N_HCHO_QY, 'C',\n! & wl, wu, HCHO_QUANTR_STP, nw)\n! CALL INTAVG (WV_HCHO_QY, HCHO_QYM, N_HCHO_QY, 'C', \n! & wl, wu, HCHO_QUANTM_STP, nw)\n\n! ENDIF\n \n if( FIRSTCALL )THEN\n\n! FIRSTCALL = .false.\n\n \n \n DO iw = 1, nw - 1\nC write(6,'(i3,1X,f6.2,6(1x,es12.4))')iw,wc(iw), ! sig,qy1,qy2,\nC & HCHO_XC_300K(iw) ,HCHO_QUANTR_STP(iw),HCHO_QUANTM_STP(iw)\n\n tdum = 265.0\n sig = HCHO_XCROSS_300K(iw) \n if(tdum .lt. 300.0 .and. tdum .gt. 195.0)then\n sig = sig + HCHO_XCROSS_A(iw)*(tdum-300.0)\n elseif( tlev(i) .le. 195.0)then\n sig = sig - HCHO_XCROSS_A(iw)*105.0\n endif\n qy1 = HCHO_QUANTR_STP(iw)\n IF ( (wc(iw) .GE. 330.) .AND. (yg3(iw) .GT. 0.) ) THEN\n phi1 = HCHO_QUANTR_STP(iw)\n phi2 = HCHO_QUANTM_STP(iw)\n phi20 = 1. - phi1\n ak300=((1./phi2)-(1./phi20)) ! is divided by 1 atm\n if( tdum .lt. 300.0 .and. tdum .gt. 220.0)then\n PRESSURE = 82.06*(airden(i)/6.02E+23)*tdum\n akt = ak300\n & * (1.+0.05*(wc(iw)-329.0)*((tdum-80.0)/80.0))\n elseif( tdum .le. 220.0)then\n PRESSURE = 3.0E-20*airden(i)\n akt = ak300\n & * (1.+0.0875*(wc(iw)-329.0))\n elseif( tdum .ge. 300)then\n PRESSURE = 4.09E-20*airden(i)\n akt = ak300\n & * (1.+0.1375*(wc(iw)-329.0))\n endif\nC print*,pressure, airden(i)/2.54E+19\nC pause\n\n qy2 = 1. / ( (1./phi20) + pressure*akt)\n\n ELSE\n qy2 = HCHO_QUANTM_STP(iw)\n ENDIF\n qy2 = MAX(0.,qy2)\n qy2 = MIN(1.,qy2)\n\nC write(6,'(i3,1X,f6.2,6(1x,es12.4))')iw,wc(iw),sig,qy1,qy2,\nC & HCHO_XCROSS_300K(iw),HCHO_QUANTR_STP(iw),\nC & HCHO_QUANTM_STP(iw)\n\n ENDDO\n\n endif\n\n DO iw = 1, nw - 1\n DO i = 1, nz\n sig = HCHO_XCROSS_300K(iw) \n if(tlev(i) .lt. 300.0 .and. tlev(i) .gt. 195.0)then\n sig = sig + HCHO_XCROSS_A(iw)*(tlev(i)-300.0)\n elseif( tlev(i) .le. 195.0)then\n sig = sig - HCHO_XCROSS_A(iw)*105.0\n endif\n qy1 = HCHO_QUANTR_STP(iw)\n IF ( (wc(iw) .GE. 330.) .AND. (yg3(iw) .GT. 0.) ) THEN\n phi1 = HCHO_QUANTR_STP(iw)\n phi2 = HCHO_QUANTM_STP(iw)\n phi20 = 1. - phi1\n ak300=((1./phi2)-(1./phi20)) ! is divided by 1 atm\n if( tlev(i) .lt. 300.0 .and. tlev(i) .gt. 220.0)then\n PRESSURE = 82.06*(airden(i)/6.02E+23)*tlev(i)\n akt = ak300\n & * (1.+0.05*(wc(iw)-329.0)*((tlev(i)-80.0)/80.0))\n elseif( tlev(i) .le. 220.0)then\n PRESSURE = 3.0E-20*airden(i)\n akt = ak300\n & * (1.+0.0875*(wc(iw)-329.0))\n elseif( tlev(i) .ge. 300.)then\n PRESSURE = 4.09E-20*airden(i)\n akt = ak300\n & * (1.+0.1375*(wc(iw)-329.0))\n endif\nC print*,pressure, airden(i)/2.54E+19\nC pause\n\n qy2 = 1. / ( (1./phi20) + pressure*akt)\n\n ELSE\n qy2 = HCHO_QUANTM_STP(iw)\n ENDIF\n qy2 = MAX(0.,qy2)\n qy2 = MIN(1.,qy2)\n\n xcross(iw, i) = sig\n quantr(iw, i) = qy1\n quantm(iw, i) = qy2\n\n ENDDO\n ENDDO\n\n\n! STOP\n\n RETURN\n3045 print*,'ERROR: in file: '\n print*,i,'DATAJ1/JPROC_CSQY/NASA_2006-HCHO_photolysis.dat'\n STOP\n END\n\n*=============================================================================*\n\n SUBROUTINE NASA_NO3_QUANTAS(nw,wl,wc,nz,tlev,airden,QYNO3_NO,\n & QYNO3_NO2)\n\n*-----------------------------------------------------------------------------*\n*= PURPOSE: =*\n*= Provide the quantum yield for =*\n*= both channels of NO3 photolysis: =*\n*= (a) NO3 + hv -> NO2 + O(3P) =*\n*= (b) NO3 + hv -> NO + O2 =*\n*-----------------------------------------------------------------------------*\n*= PARAMETERS: =*\n*= NW - INTEGER, number of specified intervals + 1 in working (I)=*\n*= wavelength grid =*\n*= WL - REAL, vector of lower limits of wavelength intervals in (I)=*\n*= working wavelength grid =*\n*= WC - REAL, vector of center points of wavelength intervals in (I)=*\n*= working wavelength grid =*\n*= NZ - INTEGER, number of altitude levels in working altitude grid (I)=*\n*= TLEV - REAL, temperature (K) at each specified altitude level (I)=*\n*= AIRDEN - REAL, air density (molec/cc) at each altitude level (I)=*\n*= J - INTEGER, counter for number of weighting functions defined (IO)=*\n*= SQ - REAL, cross section x quantum yield (cm^2) for each (O)=*\n*= photolysis reaction defined, at each defined wavelength and =*\n*= at each defined altitude level =*\n*= JLABEL - CHARACTER*50, string identifier for each photolysis reaction (O)=*\n*= defined =*\n*-----------------------------------------------------------------------------*\n\n USE JPROC_PHOT_DATA\n\n IMPLICIT NONE\n\nC INCLUDE 'params'\n\n* input\n\n INTEGER nw\n REAL wl(kw), wc(kw), wu(kw)\n \n INTEGER nz\n\n REAL tlev(kz)\n REAL airden(kz)\n\n* weighting functions\n\n CHARACTER*50 jlabel(1)\n REAL sq(1,kz,kw)\n\n* input/output:\n INTEGER j\n\n* data arrays\n\n INTEGER kdata\n PARAMETER(kdata=350)\n\n REAL x1(kdata)\n REAL y1(kdata),y2(kdata),y3(kdata)\n REAL z1(kdata),z2(kdata),z3(kdata)\n REAL qy1(kdata),qy2(kdata)\n REAL slope\n\n* local\n\n REAL yg(kw), yg1(kw), yg2(kw)\n REAL temp_adj(kz)\n REAL QYNO3_NO2(kw,kz),QYNO3_NO(kw,kz)\n REAL qy\n INTEGER irow, icol\n INTEGER i, iw, n, idum\n INTEGER ierr\n INTEGER mabs\n CHARACTER(LEN=120) :: FILE_LINE\n LOGICAL :: EXISTS \n LOGICAL, SAVE :: FIRSTCALL = .TRUE.\n\n* quantum yield:\n\n* for NO3 ->NO+O2\n\n j = 0\n j = j + 1\n jlabel(j) = 'NO3NO-06 ' ! 'NO3 -> NO + O2'\n\n\n* for NO3 ->NO2+O\n j = j + 1\n jlabel(j) = 'NO3NO2-6 ' ! 'NO3 -> NO2 + O(3P)'\n\n\n\n temp_adj = 1.0\n\n\n DO i = 1, nz\n temp_adj(i) = (1.0-exp(-1096.4/tlev(i))\n & - 2.0*exp(-529.5/tlev(i)))\n & / (1.0-exp(-1096.4/298.0)\n & - 2.0*exp(-529.5/298.0))\n ENDDO\n\n do i = 1, nw-1\n! compute upper limit of wavelength bins\n wu(i) = 2.0*wc(i) - wl(i)\n enddo\n wu(nw)=wu(nw-1)+2*(wc(nw-1) - wl(nw-1))\n \n! INQUIRE(FILE='DATAJ1/JPROC_CSQY/NASA_2006-NO3_photolysis.dat',\n! & EXIST=exists)\n\n\n! IF( .NOT. EXISTS)THEN\n! print*,' NASA_2006-NO3_photolysis.dat not found '\n! stop\n! else\nC print*,' NASA_2006-NO3_photolysis.dat found '\n! endif\n\n! OPEN(UNIT=kin,\n! & FILE='DATAJ1/JPROC_CSQY/NASA_2006-NO3_photolysis.dat',\n! & STATUS='old')\n \n \n! DO i = 1, 5\n! read(kin,'(a)', err = 3013)FILE_LINE\nC IF( i .lt. 5 .AND. FIRSTCALL)write(UNIT_BLOCK,'(a)')FILE_LINE\nC print*,file_line\n! ENDDO\n\nC i = 1\nC read(kin,'(a)', err = 3013)FILE_LINE\nC read(FILE_LINE,*)x1(i),y1(i),y2(i),y3(i),\nC & z1(i),z2(i),z3(i)\nC print*,x1(i),y1(i),y2(i),y3(i),\nC & z1(i),z2(i),z3(i)\n\n\n! n = 57\n! DO i = 1, n\n! read(kin,'(a)',err = 3013)FILE_LINE\n! IF(FILE_LINE(1:4) .EQ. '!END')THEN\n! print*,'ERROR: in file: '\n! print*,'DATAJ1/JPROC_CSQY/NASA_2006-NO3_photolysis.dat'\n! print*,'Expect numerical input, but read,'\n! print*,FILE_LINE\n! STOP\n! ELSE\n! read(FILE_LINE,*)x1(i),y1(i),y2(i),y3(i),\n! & z1(i),z2(i),z3(i)\nC print*,x1(i),y1(i),y2(i),y3(i),\nC & z1(i),z2(i),z3(i)\n\n! ENDIF\n! ENDDO\n\n! IF(FIRSTCALL)THEN\n\n! CALL WRBF12D_HEADER (UNIT_BLOCK,5,N,x1,'N_NO3_QY',\n! & 'WV_NO3_QY','E')\n\n! CALL WRBF12D_HEADERB(UNIT_BLOCK,5,N,y1,'N_NO3_QY',\n! & 'NO2NO_QY_298K','E')\n\n! CALL WRBF12D_HEADERB(UNIT_BLOCK,5,N,z1,'N_NO3_QY',\n! & 'NO2NO2_QY_298K','E')\n\n! CALL WRBF12D_HEADERB(UNIT_BLOCK,5,N,y2,'N_NO3_QY',\n! & 'NO2NO_QY_230K','E')\n\n! CALL WRBF12D_HEADERB(UNIT_BLOCK,5,N,z2,'N_NO3_QY',\n! & 'NO2NO2_QY_230K','E')\n\n! CALL WRBF12D_HEADERB(UNIT_BLOCK,5,N,y3,'N_NO3_QY',\n! & 'NO2NO_QY_190K','E')\n\n! CALL WRBF12D_HEADERB(UNIT_BLOCK,5,N,z3,'N_NO3_QY',\n! & 'NO2NO2_QY_190K','E')\n\n! CALL INTAVG (WV_NO3_QY, NO2NO_QY_298K, N_NO3_QY, 'C',\n! & wl, wu, NO3NO_QUANT_298K, nw)\n! CALL INTAVG (WV_NO3_QY, NO2NO2_QY_298K, N_NO3_QY, 'C',\n! & wl, wu, NO3NO2_QUANT_298K, nw)\n\n! CALL INTAVG (WV_NO3_QY, NO2NO_QY_230K, N_NO3_QY, 'C', \n! & wl, wu, NO3NO_QUANT_230K, nw)\n! CALL INTAVG (WV_NO3_QY, NO2NO2_QY_230K, N_NO3_QY, 'C',\n! & wl, wu, NO3NO2_QUANT_230K, nw)\n\n! CALL INTAVG (WV_NO3_QY, NO2NO_QY_190K, N_NO3_QY, 'C', \n! & wl, wu, NO3NO_QUANT_190K, nw)\n! CALL INTAVG (WV_NO3_QY, NO2NO2_QY_190K, N_NO3_QY, 'C',\n! & wl, wu, NO3NO2_QUANT_190K, nw)\n\n! FIRSTCALL = .TRUE.\n\n! ENDIF\n\n\n! close(kin)\n\n DO i = 1, nz\n DO iw = 1, nw\n qy1(iw) = NO3NO_QUANT_298K(iw)\n qy2(iw) = NO3NO2_QUANT_298K(iw)\n IF(tlev(i) .lt. 298.0 .and. tlev(i) .ge. 230.0)THEN\n slope = (NO3NO_QUANT_298K(iw)-NO3NO_QUANT_230K(iw))\n & / 68.0\n qy1(iw) = NO3NO_QUANT_230K(iw) + slope*(tlev(i)-230.0)\n slope = (NO3NO2_QUANT_298K(iw)-NO3NO2_QUANT_230K(iw))\n & / 68.0\n qy2(iw) = NO3NO2_QUANT_230K(iw) + slope*(tlev(i)-230.0)\n ELSEIF(tlev(i) .lt. 230.0 .and. tlev(i) .ge. 190.0)THEN\n slope = (NO3NO_QUANT_230K(iw)-NO3NO_QUANT_190K(iw))\n & / 40.0\n qy1(iw) = NO3NO_QUANT_190K(iw) + slope*(tlev(i)-190.0)\n slope = (NO3NO2_QUANT_230K(iw)-NO3NO2_QUANT_190K(iw))\n & / 40.0\n qy2(iw) = NO3NO2_QUANT_190K(iw) + slope*(tlev(i)-190.0)\n ELSEIF( tlev(i) .lt. 190)THEN\n qy1(iw) = NO3NO_QUANT_190K(iw)\n qy2(iw) = NO3NO2_QUANT_190K(iw)\n ENDIF\nC if(i.eq.1)print*,tlev(i),x1(iw),QY1(iw),QY2(iw)\n ENDDO\n\n\n DO iw = 1, nw\n QYNO3_NO(iw,i) = qy1(iw)*0.001\n if(wl(iw) .le. WV_NO3_QY(1))then\n QYNO3_NO(iw,i) = NO3NO_QUANT_298K(1)*0.001\n QYNO3_NO2(iw,i) = NO3NO2_QUANT_298K(1)*0.001\n else\n QYNO3_NO2(iw,i) = qy2(iw)*0.001\n endif\nC if(i.eq.1)print*,tlev(i),wl(iw),x1(1),\nC & QYNO3_NO(iw,i),QYNO3_NO2(iw,i)\n ENDDO\n ENDDO\n\nC stop\n\n\n RETURN\n3013 print*,'ERROR: in file: '\n print*,'DATAJ1/JPROC_CSQY/NASA_2006-NO3_photolysis.dat'\n STOP\n END\nC\n REAL FUNCTION QY_ACETONE(TEMP, DENS_NUMB, LAMBDA)\n\n! Computes acetone quantum yields according to:\n! IUPAC (2005) recommendation based on\n! Blitz, M. A., D. E. Heard, M. J. Pilling, S. R. Arnold, and M. P. Chipperfield \n! (2004), Pressure and temperature-dependent quantum yields for the \n! photodissociation of acetone between 279 and 327.5 nm, Geophys. \n! Res. Lett., 31, L06111, doi:10.1029/2003GL018793.\n\n\n IMPLICIT NONE\n\nC inputs\n REAL TEMP ! air temperature, K\n REAL DENS_NUMB ! air number density, 1/cm^3\n REAL LAMBDA ! wavelength, nm\n\n REAL A0 ! 1st coef for qy\n REAL A1 ! 2nd coef for qy\n REAL A2 ! 3rd coef for qy\n REAL A3 ! 4th coef for qy\n REAL A4 ! 5th coef for qy\n REAL A5 ! 6th coef for qy\n REAL A6 ! 7th coef for qy\n\n REAL PHI_CO ! CO branch of IUPAC (2005) acetone QYZ\n REAL PHI_CH3CO ! CH3CO branch of IUPAC (2005) acetone QYZ\n REAL AA ! scratch variable for IUPAC (2005) acetone QYZ\n REAL BB ! scratch variable for IUPAC (2005) acetone QYZ\n REAL CC ! scratch variable for IUPAC (2005) acetone QYZ\n\n IF( LAMBDA .GE. 248.0 .AND. LAMBDA .LE. 349.0)THEN\n\n AA = 0.350*(TEMP/295.0)**(-1.28)\n BB = 0.068*(TEMP/295.0)**(-2.65)\n A0 = (AA / (1.0 - AA))*exp(BB*(LAMBDA-248.0))\n PHI_CO = 1.0 / (1.0 + A0)\n\n IF( LAMBDA .LE. 302.0 ) THEN\nC 248-302 nm\n AA = 1.600*1.0E-19 *(TEMP/295.0)**(-2.38)\n BB = 0.55*1.0E-03 *(TEMP/295.0)**(-3.19)\n A1 = AA*exp( -BB*((1.0E+07/LAMBDA)-33113.0) )\n PHI_CH3CO = (1.0 - PHI_CO) / (1.0 + A1*DENS_NUMB)\n\nC 302-349 nm\n ELSE\n AA = 1.62*1.0E-17 *(TEMP/295.0)**(-10.03)\n BB = 1.79*1.0E-3 *(TEMP/295.0)**(-1.364)\n A2 = AA*exp(-BB*((1.0E+07/LAMBDA) - 30488.0))\n\n AA = 26.29* (TEMP/295.0)**(-6.59)\n BB = 5.72 *1.0E-7 *(TEMP/295.0)**(-2.93)\n CC = (30006.0) *(TEMP/295.0)**(-0.064)\n A3 = AA*exp(-BB*((1.0E+07/LAMBDA) - CC)**2.0)\n\n AA = 1.67*1.0E-15 *(TEMP/295.0)**(-7.25)\n BB = 2.08*1.0E-3 *(TEMP/295.0)**(-1.16)\n A4 = AA*exp(-BB *((1.0E+07/LAMBDA) - 30488.0))\n\n PHI_CH3CO = (1.0 - PHI_CO)\n & * (1.0 + A4*DENS_NUMB + A3) \n & / ( (1.0 + A2*DENS_NUMB + A3)\n & * (1.0 + A4*DENS_NUMB) ) \n ENDIF\n\n\n QY_ACETONE = PHI_CO\n & + PHI_CH3CO\n\n ELSEIF(LAMBDA .LT. 248.0 .AND. LAMBDA .GT. 0.0)THEN ! set QY to 1.0\n! based on IUPAC (2005) data sheet\n\n PHI_CO = 0.05\n \n PHI_CH3CO = 0.95\n\n QY_ACETONE = PHI_CO+PHI_CH3CO\n\n ELSEIF(LAMBDA .GT. 349.0)THEN\n\n QY_ACETONE = 0.0\n\n ENDIF\n\n QY_ACETONE = MAX(0.0,MIN(1.0, QY_ACETONE))\n\n\n RETURN\n END\n\n* This file contains subroutines used for calculation of quantum yields for \n* various photoreactions:\n* qyacet - q.y. for acetone, based on Blitz et al. (2004)\n\n********************************************************************************\n\n REAL FUNCTION QY_ACETONE_TUV(T, M, w)\n*-----------------------------------------------------------------------------*\n*= taken from Tropospheric Ultraviolet-Visible (TUV) radiation model =*\n*= Version 4.6 =*\n*-----------------------------------------------------------------------------*\n* Compute acetone quantum yields according to the parameterization of:\n* Blitz, M. A., D. E. Heard, M. J. Pilling, S. R. Arnold, and M. P. Chipperfield \n* (2004), Pressure and temperature-dependent quantum yields for the \n* photodissociation of acetone between 279 and 327.5 nm, Geophys. \n* Res. Lett., 31, L06111, doi:10.1029/2003GL018793.\n\n IMPLICIT NONE\n\n* input:\n* T = temperature, K\n* m = air number density, molec. cm-3\n* w = wavelength, nm\n\n REAL w, T, M\n\n* internal:\n\n REAL a0, a1, a2, a3, a4\n REAL b0, b1, b2, b3, b4\n REAL c3\n REAL cA0, cA1, cA2, cA3, cA4\n\n* output\n* fco = quantum yield for product CO\n* fac = quantum yield for product CH3CO (acetyl radical)\n\n REAL fco, fac\n\n*** set out-of-range values:\n* use low pressure limits for shorter wavelengths\n* set to zero beyound 327.5\n\n IF(w .LT. 279. .AND. w .GE. 1.0) THEN\n fco = 0.05\n fac = 0.95\n QY_ACETONE_TUV = MAX(0.0,MIN(1.0, fco+fac))\n RETURN\n ENDIF\n\n IF(w .GT. 327.5 .OR. w .LT. 1.0) THEN\n fco = 0.\n fac = 0.\n QY_ACETONE_TUV = MAX(0.0,MIN(1.0, fco+fac))\n RETURN\n ENDIF\n\n*** CO (carbon monoxide) quantum yields:\n\n a0 = 0.350 * (T/295.)**(-1.28)\n b0 = 0.068 * (T/295.)**(-2.65)\n cA0 = exp(b0*(w - 248.)) * a0 / (1. - a0)\n\n fco = 1. / (1 + cA0)\n\n*** CH3CO (acetyl radical) quantum yields:\n\n IF(w .GE. 279. .AND. w .LT. 302.) THEN\n\n a1 = 1.600E-19 * (T/295.)**(-2.38)\n b1 = 0.55E-3 * (T/295.)**(-3.19)\n cA1 = a1 * EXP(-b1*((1.e7/w) - 33113.))\n \n fac = (1. - fco) / (1 + cA1 * M)\n\n ENDIF\n\n IF(w .GE. 302. .AND. w .LT. 327.5) THEN\n\n a2 = 1.62E-17 * (T/295.)**(-10.03)\n b2 = 1.79E-3 * (T/295.)**(-1.364)\n cA2 = a2 * EXP(-b2*((1.e7/w) - 30488.))\n\n\n a3 = 26.29 * (T/295.)**(-6.59)\n b3 = 5.72E-7 * (T/295.)**(-2.93)\n c3 = 30006 * (T/295.)**(-0.064)\n ca3 = a3 * EXP(-b3*((1.e7/w) - c3)**2)\n\n\n a4 = 1.67E-15 * (T/295.)**(-7.25)\n b4 = 2.08E-3 * (T/295.)**(-1.16)\n cA4 = a4 * EXP(-b4*((1.e7/w) - 30488.))\n\n fac = (1. - fco) * (1. + cA3 + cA4 * M) /\n $ ((1. + cA3 + cA2 * M)*(1. + cA4 * M))\n\n ENDIF\n\n QY_ACETONE_TUV = MAX(0.0,MIN(1.0, fco+fac))\n\n RETURN\n END\n\n********************************************************************************\n" }, { "path": "UTIL/inline_phot_preproc/src/xc_qy_td_effect_v3.F", "content": " SUBROUTINE XC_QY_TD_EFFECT(WC,NW,TLEV,DENS,NZ,\n & JLABEL,XC,QY,SQ,REPLACE)\n\n USE CSQY_REFER_DATA\n\n IMPLICIT NONE\n\n! subroutine computes the product of the cross-section and\n! quantum yield over the atmospheric levels \n! includes temperature and pressure effect for select rates\n! inputs:\n\n INTEGER, INTENT( IN ) :: NW\n REAL, INTENT( IN ) :: WC(:)\n INTEGER, INTENT( IN ) :: NZ\n REAL, INTENT( IN ) :: TLEV(:) ! air temperature over model levels, deg K\n REAL, INTENT( IN ) :: DENS(:) ! air number density over level, 1/cm3\n CHARACTER(16), INTENT( IN ) :: JLABEL ! name of photolysis rate\n REAL, INTENT( INOUT ) :: XC(:,:) ! cross-section from file\n REAL, INTENT( INOUT ) :: QY(:,:) ! quantum yield from file\n REAL, INTENT( OUT ) :: SQ(:,:) ! cross-section times quantum yield over model levels\n LOGICAL, INTENT( OUT ) :: REPLACE ! flag to use sq values in calling routine \n\n\n! local:\n INTEGER IW, IJ, IZ\n INTEGER I, J, N\n\n LOGICAL, SAVE :: FIRSTCALL = .TRUE.\n\n! output quantum yields\n\n LOGICAL EXISTS\n\n REAL PRESSURE\n REAL TEMP( 1 )\n REAL TDUM, QDUM, WDUM, FACTOR\n\n\n\n! local\n REAL, EXTERNAL :: OZONE_YIELD\n REAL, EXTERNAL :: QY_ACETONE\n REAL, EXTERNAL :: RQY_ACETONE\n REAL, EXTERNAL :: QY_ACETONE_TUV\n REAL, EXTERNAL :: QY_GLYOXAL\n REAL, EXTERNAL :: RQY_GLYOXAL\n REAL, EXTERNAL :: RQUANTUM_ACETONE\n REAL, EXTERNAL :: RQY_ACETONE_CH3CO\n\n REAL NO2_XCROSS_298K( KW )\n! REAL NO2_QUANT_298K ( KW )\n REAL O3_XCROSS_298K ( KW )\n REAL O3_QUANT_298K ( KW )\n REAL HCHO_XCROSS_298K( KW )\n REAL HCHO_QUANTR_298K( KW )\n REAL HCHO_QUANTM_298K( KW )\n REAL QY_NO3_NO2_298K( KW ) \n REAL QY_NO3_NO_298K ( KW )\n REAL CLONO2_XCROSS_298K( KW )\n\n REAL NO2_XCROSS( KW, KZ )\n REAL NO2_QUANT ( KW, KZ )\n REAL O3_XCROSS(KW,KZ)\n REAL O3_QUANT (KW,KZ)\n REAL HCHO_XCROSS(KW,KZ)\n REAL HCHO_QUANTR(KW,KZ)\n REAL HCHO_QUANTM(KW,KZ)\n REAL CLONO2_XCROSS(KW,KZ)\n REAL QYNO3_NO2(KW,KZ)\n REAL QYNO3_NO(KW,KZ)\n\n REAL ADJ_NO2_XCROSS( KW, KZ )\n REAL ADJ_NO2O3P_QUANT ( KW, KZ )\n REAL ADJ_NO2EXC_QUANT ( KW, KZ )\n REAL ADJ_O3_XCROSS(KW,KZ)\n REAL ADJ_O3O1D_QUANT (KW,KZ)\n REAL ADJ_O3O3P_QUANT (KW,KZ)\n REAL ADJ_HCHO_XCROSS(KW,KZ)\n REAL ADJ_HCHO_QUANTR(KW,KZ)\n REAL ADJ_HCHO_QUANTM(KW,KZ)\n REAL ADJ_CLONO2_XCROSS(KW,KZ)\n REAL ADJ_QY_NO3_NO2(KW,KZ)\n REAL ADJ_QY_NO3_NO(KW,KZ)\n REAL ADJUST( KZ ) \n \n LOGICAL, SAVE :: COMPUTED_NO2O3P = .FALSE.\n LOGICAL, SAVE :: COMPUTED_NO2EXC = .FALSE.\n LOGICAL, SAVE :: COMPUTED_O3O1D = .FALSE.\n LOGICAL, SAVE :: COMPUTED_O3O3P = .FALSE.\n \n REAL, SAVE :: NO2O3P_YIELD( KZ, KW )\n REAL, SAVE :: NO2EXC_YIELD( KZ, KW )\n REAL, SAVE :: O3O1D_YIELD ( KZ, KW )\n REAL, SAVE :: O3O3P_YIELD ( KZ, KW )\n\n REAL, SAVE :: PREV_TLEV( KZ ) = 0.0 ! previous air temperature over model levels, deg K\n REAL, SAVE :: PREV_DENS( KZ ) = 0.0 ! previous air number density over level, 1/cm3\n REAL, SAVE :: PREV_WC ( KW ) = 0.0 ! previous wavelenghts, nm\n \n INTEGER, SAVE :: NZ_PREV = 0\n INTEGER, SAVE :: NW_PREV = 0\n LOGICAL :: RESET_WC\n LOGICAL :: RESET_TD\n\n REAL :: SIG, ALPHA, BETA, CHI, PHI\n REAL :: XCROSS( NZ, NW), QUANT( NZ,NW )\n\n REAL :: PHI_CO_STP ! CO branch of IUPAC (2013) acetone QYZ at STP\n REAL :: PHI_CH3CO_STP ! CH3CO branch of IUPAC (2013) acetone QYZ at STP\n REAL :: PHI_CO ! CO branch of IUPAC (2013) acetone QYZ at Level\n REAL :: PHI_CH3CO ! CH3CO branch of IUPAC (2013) acetone QYZ at Level\n\n REAL :: ADJ_ACETONE_XCROSS( KZ, NW ) ! temperature correction to acetone cross section\n REAL :: ADJ_PHI_CO( KZ, NW ) ! T-P adjustment for CO branch of IUPAC (2013) acetone QYZ \n REAL :: ADJ_PHI_CH3CO( KZ, NW ) ! T-P adjustment for CH3CO branch of IUPAC (2013) acetone QYZ \n\n\n INTERFACE\n SUBROUTINE WVBIN_AVERAGE(WL_CS_IN, CS_IN, NWL_CS_IN, \n & WL_QY_IN, QY_IN, NWL_QY_IN, \n & SPECTRA_TYPE,\n & WLL_AVE, WLU_AVE, NWL_AVE, \n & CS_AVE, QY_AVE )\n CHARACTER(1), INTENT( IN ) :: SPECTRA_TYPE ! spectra type\n INTEGER, INTENT( IN ) :: NWL_AVE ! number of intervals average \n INTEGER, INTENT( IN ) :: NWL_CS_IN ! number of intervals CS_IN\n INTEGER, INTENT( IN ) :: NWL_QY_IN ! number of intervals CS_IN\n REAL, INTENT( IN ) :: WL_CS_IN( : ) ! wl for CS_IN\n REAL, INTENT( IN ) :: WL_QY_IN( : ) ! wl for QY_IN\n REAL, INTENT( IN ) :: CS_IN( : ) ! cross-section as f(WLIN)\n REAL, INTENT( IN ) :: QY_IN( : ) ! quantum yield as f(WLIN)\n REAL, INTENT( OUT) :: WLL_AVE( : ) ! lower limit on wl effective interval\n REAL, INTENT( OUT) :: WLU_AVE( : ) ! upper limit on wl effective interval\n REAL, INTENT( OUT) :: CS_AVE( : ) ! cross-section as f(WL_AVE)\n REAL, INTENT( OUT) :: QY_AVE( : ) ! quantum yield as f(WL_AVE)\n END SUBROUTINE WVBIN_AVERAGE\n SUBROUTINE QY_ACETONE_CHANNELS( TEMP, DENS_NUMB, LAMBDA, PHI_CO, PHI_CH3CO )\n IMPLICIT NONE\n REAL, INTENT(IN) :: TEMP ! air temperature, K\n REAL, INTENT(IN) :: DENS_NUMB ! air number density, 1/cm^3\n REAL, INTENT(IN) :: LAMBDA ! wavelength, nm\n REAL, INTENT(OUT) :: PHI_CO ! CO branch of IUPAC (2013) acetone QYZ\n REAL, INTENT(OUT) :: PHI_CH3CO ! CH3CO branch of IUPAC (2013) acetone QYZ\n END SUBROUTINE QY_ACETONE_CHANNELS\n END INTERFACE \n!_______________________________________________________________________\n\n! complete wavelength grid\n\n\n\n IF(FIRSTCALL)THEN\n\n \n CALL INIT_CSQY_REFER_DATA()\n\n FIRSTCALL = .FALSE.\n \n ENDIF\n \n\n RESET_WC = .FALSE.\n RESET_TD = .FALSE.\n\n IF( NW_PREV .NE. NW .OR. NZ_PREV .NE. NZ )THEN\n RESET_WC = .TRUE.\n RESET_TD = .TRUE.\n ELSE \n DO I = 1, NZ\n IF( ABS(PREV_TLEV( I )- TLEV( I )) .GT. 1.0E-4 )THEN\n RESET_TD = .TRUE.\n END IF\n IF( ABS(PREV_DENS( I )- DENS( I )) .GT. 1.0E-4 )THEN\n RESET_TD = .TRUE.\n END IF\n END DO\n DO I = 1, NW\n IF( ABS(PREV_WC( I )- WC( I )) .GT. 1.0E-4 )THEN\n RESET_WC = .TRUE.\n END IF\n END DO\n END IF\n \n IF( RESET_WC .OR. RESET_TD )THEN\n WRITE(6,*)\"RESETTING IN XC_QY_TD_EFFECT FOR \" // TRIM( JLABEL )\n COMPUTED_NO2O3P = .FALSE.\n COMPUTED_NO2EXC = .FALSE.\n COMPUTED_O3O3P = .FALSE.\n COMPUTED_O3O1D = .FALSE.\n PREV_TLEV = 0.0\n PREV_DENS = 0.0\n PREV_WC = 0.0\n NW_PREV = NW\n NZ_PREV = NZ\n DO I = 1, NZ\n PREV_TLEV( I ) = TLEV( I )\n PREV_DENS( I ) = DENS( I )\n END DO\n DO I = 1, NW\n PREV_WC( I ) = WC( I )\n END DO\n END IF\n \n\n! computing data used for multiple rates\n CALL JHCHO_NASA_2006(NW,WC,NZ,TLEV,DENS, HCHO_XCROSS, HCHO_QUANTR, HCHO_QUANTM)\n\n CALL NASA_NO3_QUANTAS(NW,WC,NZ,TLEV,DENS,QYNO3_NO, QYNO3_NO2)\n\n \n\n DO I = 1, NZ\n DO IW = 1, NW\n CALL QY_ACETONE_CHANNELS( T298K, DENS0, WC(IW), PHI_CO_STP, PHI_CH3CO_STP )\n CALL QY_ACETONE_CHANNELS( TLEV( I ), DENS( I ), WC(IW), PHI_CO, PHI_CH3CO )\n IF( PHI_CO_STP .GT. 1.0E-9 )THEN\n ADJ_PHI_CO(I,IW) = PHI_CO / PHI_CO_STP\n ELSE \n ADJ_PHI_CO(I,IW) = 1.0\n END IF\n IF( PHI_CH3CO_STP .GT. 1.0E-9 )THEN\n ADJ_PHI_CH3CO(I,IW) = PHI_CH3CO / PHI_CH3CO_STP\n ELSE \n ADJ_PHI_CH3CO(I,IW) = 1.0\n END IF\n! WRITE(6,'(A,F13.6,1X,E12.4,10(1X,F13.6))')\n! & 'TEMP, DENS, WC,PHI_CO,PHI_CO_STP, ADJ_PHI_CO, ADJ_PHI_CO, PHI_CH3CO,PHI_CH3CO_STP, ADJ_PHI_CH3CO = ',\n! & TLEV( I ), DENS( I ), WC( IW ),\n! & PHI_CO,PHI_CO_STP,ADJ_PHI_CO(I,IW),\n! & PHI_CH3CO,PHI_CH3CO_STP,ADJ_PHI_CH3CO(I,IW)\n\n END DO\n END DO\n! calculation at 298K \n DO IW = 1, NW\n O3_XCROSS_298K( IW ) = O3_XCROSS_293K( IW )\n O3_QUANT_298K ( IW ) = OZONE_YIELD( WC( IW ), T298K )\n\n CLONO2_XCROSS_298K( IW ) = CLONO2_XCROSS0( IW )\n & * ( 1.0 \n & + CLONO2_A1( IW )*( T298K - 296 ) \n & + CLONO2_A2( IW )*( T298K - 296 )**2 )\n \n NO2_XCROSS_298K(IW ) = NO2_XCROSS_294K(IW)\n NO2_QUANT_298K( IW ) = NO2_QUANT_298K(IW)\n \n QY_NO3_NO_298K( IW ) = 1.0E-3*NO3NO_QUANT_298K( IW )\n QY_NO3_NO2_298K( IW ) = 1.0E-3*NO3NO2_QUANT_298K( IW )\n\n\n HCHO_XCROSS_298K( IW ) = HCHO_XCROSS_300K(IW) + HCHO_XCROSS_A(IW)*(T298K-300.0)\n HCHO_XCROSS_298K( IW ) = MAX( HCHO_XCROSS_298K(IW), 0.0)\n\n\n IF( HCHO_QUANTR_STP(IW) .LT. 0.999999 )THEN\n IF(WC(IW) .GE. 330.0 .AND. HCHO_QUANTM_STP(IW) .GT. 0.0)THEN\n PRESSURE = 1.0 ! atmospheres\n FACTOR = ((1.0/HCHO_QUANTM_STP(IW))-(1.0/(1.0 - HCHO_QUANTR_STP(IW))))\n & * (1.0 + 0.05*( WC(IW)-329.0)*((T298K-80.0)/80.0))\n\n HCHO_QUANTM_298K( IW ) = 1.0/( 1.0/(1.0 - HCHO_QUANTR_STP(IW)) + PRESSURE*FACTOR )\n ELSE\n HCHO_QUANTM_298K( IW ) = HCHO_QUANTM_STP(IW)\n ENDIF\n ELSE\n HCHO_QUANTM_298K( IW ) = 0.000001\n END IF\n\n HCHO_QUANTR_298K( IW ) = HCHO_QUANTR_STP(IW)\n \n HCHO_QUANTM_298K( IW ) = MIN( 1.0, MAX( HCHO_QUANTM_298K( IW ), 0.0))\n \n DO I = 1, NZ\n \n XCROSS( I, IW ) = XC( I, IW )\n QUANT( I, IW ) = QY( I, IW )\n\n IF( TLEV(I) .LT. 293.0 .AND. TLEV(I) .GT. 218.0)THEN\n O3_XCROSS(IW,I) = (O3_XCROSS_293K(IW)-O3_XCROSS_218K(IW))\n & / 75.0\n & * (TLEV(I) - 218.0)\n & + O3_XCROSS_218K(IW)\n ELSEIF( TLEV(I) .LE. 218.0)THEN\n O3_XCROSS(IW,I) = O3_XCROSS_218K(IW)\n ELSEIF( TLEV(I) .GE. 293.0)THEN\n O3_XCROSS(IW,I) = O3_XCROSS_293K(IW)\n ENDIF\n\n\n O3_QUANT( IW,I) = OZONE_YIELD(WC(IW),TLEV(I)) \n\n\n TDUM = TLEV(I)-296.0\n \n CLONO2_XCROSS(IW,I) = CLONO2_XCROSS0(IW)\n & * ( 1.0\n & + CLONO2_A1(IW)*TDUM \n & + CLONO2_A2(IW)*TDUM**2 )\n\n\n\n NO2_XCROSS(IW,I) = NO2_XCROSS_294K(IW)\n IF(TLEV(I) .GT. 220.0 .AND. TLEV(I) .LT. 294.0)THEN\n TDUM = (NO2_XCROSS_294K(IW)-NO2_XCROSS_220K(IW))\n & * (TLEV(I)-220.0)/74.0\n NO2_XCROSS(IW,I) = NO2_XCROSS_220K(IW)\n & + TDUM \n ELSEIF(TLEV(I) .LE. 220.0)THEN\n NO2_XCROSS(IW,I) = NO2_XCROSS_220K(IW)\n ENDIF\n\n NO2_QUANT(IW,I) = NO2_QUANT_298K(IW)\n IF(TLEV(I) .GT. 248.0 .AND. TLEV(I) .LT. 294.0)THEN\n TDUM = (NO2_QUANT_298K(IW)-NO2_QUANT_248K(IW))\n & * (TLEV(I)-248.0)/50.0\n NO2_QUANT(IW,I) = NO2_QUANT_248K(IW)\n & + TDUM \n ELSEIF(TLEV(I) .LE. 248.0)THEN\n NO2_QUANT(IW,I) = NO2_QUANT_248K(IW)\n ENDIF\n\n NO2_QUANT(IW,I) = MIN(MAX(NO2_QUANT(IW,I), 0.0), 1.0)\n\n! compute adjustment factors\n \n IF( QY_NO3_NO_298K( IW ) .GT. 0.0 )THEN\n ADJ_QY_NO3_NO(IW,I) = QYNO3_NO(IW,I) / QY_NO3_NO_298K(IW )\n print*,'QYNO3_NO(IW,I), QY_NO3_NO_298K(IW ) = ',QYNO3_NO(IW,I), QY_NO3_NO_298K(IW )\n ELSE\n ADJ_QY_NO3_NO(IW,I) = 1.0\n END IF\n\n IF( QY_NO3_NO2_298K( IW ) .GT. 0.0 )THEN\n ADJ_QY_NO3_NO2(IW,I) = QYNO3_NO2(IW,I) / QY_NO3_NO2_298K(IW )\n print*,'QYNO3_NO2(IW,I), QY_NO3_NO2_298K(IW ) = ',QYNO3_NO2(IW,I), QY_NO3_NO2_298K(IW )\n ELSE\n ADJ_QY_NO3_NO2(IW,I) = 1.0\n END IF\n\n IF( HCHO_XCROSS_298K( IW ) .GT. 0.0 )THEN\n ADJ_HCHO_XCROSS(IW,I) = HCHO_XCROSS(IW,I) / HCHO_XCROSS_298K(IW )\n ELSE\n ADJ_HCHO_XCROSS(IW,I) = 1.0\n END IF\n\n IF( HCHO_QUANTR_298K( IW ) .GT. 0.0 )THEN\n ADJ_HCHO_QUANTR(IW,I) = HCHO_QUANTR(IW,I) / HCHO_QUANTR_298K(IW )\n ELSE\n ADJ_HCHO_QUANTR(IW,I) = 1.0\n END IF\n \n IF( HCHO_QUANTM_298K( IW ) .GT. 0.0 )THEN\n ADJ_HCHO_QUANTM(IW,I) = HCHO_QUANTM(IW,I) / HCHO_QUANTM_298K(IW )\n ELSE\n ADJ_HCHO_QUANTM(IW,I) = 1.0\n END IF\n\n IF( O3_XCROSS_298K( IW ) .GT. 0.0 )THEN\n ADJ_O3_XCROSS(IW,I) = O3_XCROSS(IW,I) / O3_XCROSS_298K(IW )\n ELSE\n ADJ_O3_XCROSS(IW,I) = 1.0\n END IF\n\n IF( O3_QUANT_298K( IW ) .GT. 0.0 )THEN\n ADJ_O3O1D_QUANT(IW,I) = O3_QUANT(IW,I) / O3_QUANT_298K(IW )\n ELSE\n ADJ_O3O1D_QUANT(IW,I) = 1.0\n END IF\n\n IF( O3_QUANT_298K( IW ) .LT. 1.0 .AND. O3_QUANT_298K( IW ) .GT. 0.0 )THEN\n ADJ_O3O3P_QUANT(IW,I) = MAX((1.0 - ADJ_O3O1D_QUANT(IW,I)*O3_QUANT_298K( IW )), 0.0)\n & / (1.0 - O3_QUANT_298K( IW ))\n\n IF( O3_QUANT(IW,I) .LT. 1.0 )THEN\n \n ALPHA = (1.0 - O3_QUANT(IW,I))\n BETA = (1.0 - ( ADJ_O3O3P_QUANT(IW,I)*ALPHA + ADJ_O3O1D_QUANT(IW,I)*O3_QUANT(IW,I)))\n & / ALPHA\n ELSE\n BETA = 0.0\n END IF\n \n ADJ_O3O3P_QUANT(IW,I) = ADJ_O3O3P_QUANT(IW,I) + BETA\n ELSE\n ADJ_O3O3P_QUANT(IW,I) = 1.0\n END IF\n\n IF( CLONO2_XCROSS_298K( IW ) .GT. 0.0 )THEN\n ADJ_CLONO2_XCROSS(IW,I) = CLONO2_XCROSS(IW,I) / CLONO2_XCROSS_298K(IW )\n ELSE\n ADJ_CLONO2_XCROSS(IW,I) = 1.0\n END IF\n\n IF( NO2_XCROSS_298K(IW ) .GT. 0.0 )THEN\n ADJ_NO2_XCROSS(IW,I) = NO2_XCROSS(IW,I) / NO2_XCROSS_298K(IW )\n ELSE\n ADJ_NO2_XCROSS(IW,I) = 1.0\n END IF\n\n IF( NO2_QUANT_298K( IW ) .GT. 0.0 )THEN\n ADJ_NO2O3P_QUANT(IW,I) = NO2_QUANT(IW,I) / NO2_QUANT_298K(IW )\n ELSE\n ADJ_NO2O3P_QUANT(IW,I) = 1.0\n END IF\n\n IF( NO2_QUANT_298K( IW ) .LT. 1.0 .AND. NO2_QUANT_298K( IW ) .GT. 0.0 )THEN\n ADJ_NO2EXC_QUANT(IW,I) = MAX((1.0 - ADJ_NO2O3P_QUANT(IW,I)*NO2_QUANT_298K( IW )), 0.0)\n & / (1.0 - NO2_QUANT_298K( IW ))\n \n IF( NO2_QUANT(IW,I) .LT. 1.0 )THEN\n \n ALPHA = (1.0 - NO2_QUANT(IW,I))\n BETA = (1.0 - ( ADJ_NO2EXC_QUANT(IW,I)*ALPHA + ADJ_NO2O3P_QUANT(IW,I)*NO2_QUANT(IW,I)))\n & / ALPHA\n \n ELSE\n BETA = 0.0\n END IF\n \n ADJ_NO2EXC_QUANT(IW,I) = ADJ_NO2EXC_QUANT(IW,I) + BETA\n ELSE\n ADJ_NO2EXC_QUANT(IW,I) = 1.0\n END IF\n\n! temperature adjustment to acetone cross-section \n SIG = XC_D_ACETONE(IW)\n & + XC_A_ACETONE(IW)*TLEV(I)\n & + XC_B_ACETONE(IW)*TLEV(I)**2\n & + XC_C_ACETONE(IW)*TLEV(I)**3\n \n CHI = XC_D_ACETONE(IW)\n & + XC_A_ACETONE(IW)*T298K\n & + XC_B_ACETONE(IW)*T298K**2\n & + XC_C_ACETONE(IW)*T298K**3\n \n IF( CHI .GT. 0.0 )THEN\n ADJ_ACETONE_XCROSS( I, IW ) = MAX(SIG/CHI, 0.0) \n ELSE \n ADJ_ACETONE_XCROSS( I, IW ) = 1.0\n END IF\n\n\n ENDDO\n ENDDO\n\n\n SQ = 0.0\n\n SELECT CASE( JLABEL ) \n CASE( 'IC3ONO2', 'NTR_IUPAC10', 'NTR_IUPAC04', 'ONIT_RACM2' )\n\n! temperature correction to cross-section\n\n DO IW = 1, NW\n DO I = 1, NZ\n IF((WC(IW) .GE. 240.) .AND. (WC(IW) .LE. 340.))THEN\n IF( TLEV(I) .LT. 360.0 .AND. TLEV(I) .GT. 233.0)THEN\n\n FACTOR = EXP(IC3ONO2_XCROSS_EXP(IW)*(TLEV(I)-T298K))\n\n ELSEIF( TLEV(I) .LE. 240.0)THEN\n\n FACTOR = EXP(IC3ONO2_XCROSS_EXP(IW)*(-58.0))\n\n ELSEIF( TLEV(I) .GE. 360.)THEN\n\n FACTOR = EXP(IC3ONO2_XCROSS_EXP(IW)*(62.0))\n\n ENDIF\n ELSE\n FACTOR = 1.0\n ENDIF\n\n! print*,JLABEL,TLEV(I)-T298K, factor*XC(I,IW), XCROSS(I, IW)\n XC(I, IW) = FACTOR * XC(I, IW)\n SQ(I, IW) = XC(I, IW) * QY(I,IW)\n \n ENDDO\n ENDDO\n\n REPLACE = .TRUE.\n\n CASE( 'NO2-06', 'NO2_06', 'NO2_RACM2', 'NO2_IUPAC10' ) ! 'NO2 -> NO + O(3P)'\n\n! temperature correction to cross-section and quantum yield\n\n DO IW = 1, NW\n DO I = 1, NZ\n\n FACTOR = MAX( ADJ_NO2_XCROSS(IW,I), 0.0)\n XC(I, IW) = FACTOR * XC(I, IW)\n\n! the below IF block forces the yields of O3P and NO2EXC to add to one\n! assumes that NZ and NW does not change between subroutine calls \n\n IF( .NOT. COMPUTED_NO2O3P .AND. .NOT. COMPUTED_NO2EXC )THEN\n FACTOR = MAX( ADJ_NO2O3P_QUANT(IW,I), 0.0)\n! print*,JLABEL,TLEV(I)-T298K, ADJ_NO2O3P_QUANT(IW,I), QY(I, IW), QUANT(I,IW)\n QY(I, IW) = FACTOR * QY(I, IW)\n QY(I, IW) = MIN( QY(I, IW), 1.0)\n NO2O3P_YIELD( I, IW ) = QY(I, IW)\n IF( IW .GE. NW .AND. I .GE. NZ )COMPUTED_NO2O3P = .TRUE.\n ELSE IF( .NOT. COMPUTED_NO2O3P .AND. COMPUTED_NO2EXC )THEN\n FACTOR = -2.0\n QY(I, IW) = MAX((1.0-NO2EXC_YIELD( I, IW )), 0.0)\n! print*,JLABEL,TLEV(I)-T298K, FACTOR, QY(I, IW), QUANT(I,IW)\n NO2O3P_YIELD( I, IW ) = QY(I, IW)\n IF( IW .GE. NW .AND. I .GE. NZ )COMPUTED_NO2O3P = .TRUE.\n ELSE IF( COMPUTED_NO2O3P )THEN\n FACTOR = -3.0\n QY(I, IW) = NO2O3P_YIELD( I, IW )\n! print*,JLABEL,TLEV(I)-T298K, FACTOR, QY(I, IW), QUANT(I,IW)\n END IF\n \n print*,JLABEL,TLEV(I)-T298K, FACTOR, QY(I, IW), QUANT(I,IW)\n SQ(I, IW) = XC(I, IW) * QY(I, IW)\n ENDDO\n ENDDO\n\n REPLACE = .TRUE.\n \n CASE( 'CLNO2', 'CLNO2_IUPAC13' )\n\n! IUPAC 2013 Data Sheet recommended temperature correction to cross-section\n! from\n! B. Ghosh, D.K. Papanastasiou, R.K. Talukdar, J.M. Roberts, and J.B. Burkholder, \n! \"Nitryl chloride (ClNO2): UV/Vis absorption spectrum between 210 and 296 K and \n! O(3P) quantum yield at 193 and 248 nm,\" J. Phys. Chem. A 116, 5796-5805 (2012); \n! DOI: 10.1021/jp207389y\n\n DO IW = 1, NW\n! print*,\"CLNO2: \",IW,WC(IW),CLNO2_XCROSS_A1(IW),CLNO2_XCROSS_A2(IW)\n DO I = 1, NZ\n\n IF( TLEV( I ) .GE. 210.0 .AND. TLEV( I ) .LE. 296.0 )THEN\n TDUM = TLEV(I)-296.0\n FACTOR = 1.0 \n & + CLNO2_XCROSS_A1( IW )*TDUM \n & + CLNO2_XCROSS_A2( IW )*(TDUM*TDUM)\n! print*,WC(IW),CLNO2_XCROSS_A1(IW),CLNO2_XCROSS_A1(IW)\n ELSE IF( TLEV( I ) .GT. 296.0 )THEN\n FACTOR = 1.0\n ELSE IF( TLEV( I ) .LT. 210.0 )THEN\n FACTOR = 1.0 \n & - 86.0*CLNO2_XCROSS_A1( IW )\n & + 7396.0*CLNO2_XCROSS_A2( IW )\n END IF \n! print*,\"CLNO2: \",I, TLEV(I),FACTOR, XC(I, IW)\n XC(I, IW) = FACTOR * XC(I, IW)\n SQ(I, IW) = XC(I, IW) * QY(I, IW)\n ENDDO\n ENDDO\n REPLACE = .TRUE.\n\n CASE( 'N2O5_IUPAC04', 'N2O5_IUPAC10' )\n\n! temperature correction to cross-section \n\n DO IW = 1, NW\n DO I = 1, NZ\n\n TDUM = MAX(195.0, MIN(TLEV(I), 300.0))\n\n ALPHA = N2O5_XCROSS_EXP(IW)*(1.0/TDUM - 1.0/T298K)\n FACTOR = EXP( ALPHA )\n\n! print*,JLABEL,TLEV(I)-T298K,factor* XC(I, IW), XCROSS( I,IW) \n XC(I,IW) = FACTOR * XC(I,IW)\n SQ(I,IW) = XC(I,IW) * QY(I,IW)\n\n ENDDO\n ENDDO\n\n REPLACE = .TRUE.\n\n CASE( 'NO2EX' ) ! 'NO2 -> NO2(excited)'\n\n! temperature correction to cross-section and quantum yield\n\n DO IW = 1, NW\n DO I = 1, NZ\n\n FACTOR = MAX( ADJ_NO2_XCROSS(IW,I), 0.0)\n XC(I, IW) = FACTOR * XC(I, IW)\n\n! the below IF block forces the yields of O3P and NO2EXC to add to one\n! assumes that NZ and NW does not change between subroutine calls \n IF( .NOT. COMPUTED_NO2O3P .AND. .NOT. COMPUTED_NO2EXC )THEN\n FACTOR = MAX( ADJ_NO2EXC_QUANT(IW,I), 0.0)\n QY(I, IW) = FACTOR * QY(I, IW)\n QY(I, IW) = MIN( QY(I, IW), 1.0)\n NO2EXC_YIELD( I, IW ) = QY(I, IW)\n IF( IW .GE. NW .AND. I .GE. NZ )COMPUTED_NO2EXC = .TRUE.\n ELSE IF( COMPUTED_NO2O3P .AND. .NOT. COMPUTED_NO2EXC )THEN\n QY(I, IW) = MAX((1.0-NO2O3P_YIELD( I, IW )), 0.0)\n NO2EXC_YIELD( I, IW ) = QY(I, IW)\n IF( IW .GE. NW .AND. I .GE. NZ )COMPUTED_NO2EXC = .TRUE.\n ELSE IF( COMPUTED_NO2EXC )THEN\n QY(I, IW) = NO2EXC_YIELD( I, IW )\n END IF\n \n! print*,JLABEL,TLEV(I)-T298K, WC(IW), QY(I, IW), QUANT(I,IW),NO2O3P_YIELD( I, IW )\n\n SQ(I, IW) = XC(I, IW) * QY(I, IW)\n ENDDO\n ENDDO\n\n REPLACE = .TRUE.\n\n CASE( 'HNO4-06', 'HNO4_06', 'HO2NO2_IUPAC04', 'PNA_IUPAC10', 'HNO4_RACM2' ) ! 'HNO4 -> HO2 + NO2'\n\n! temperature correction to cross-section\n DO IW = 1, NW\n DO I = 1, NZ\n QDUM = QY(I, IW)\n\n IF(HO2NO2_XCROSS_A1(IW).GT.0.0.AND.HO2NO2_XCROSS_A2(IW).GT.0.0)THEN\n\n TDUM = 1.0+EXP( -988.0/(0.69*TLEV(I)) )\n CHI = (HO2NO2_XCROSS_A1(IW)/TDUM + HO2NO2_XCROSS_A2(IW)*(1.0-1.0/TDUM))\n\n TDUM = 1.0+EXP(-988.0/(0.69*T298K) )\n FACTOR = CHI\n & / (HO2NO2_XCROSS_A1(IW)/TDUM + HO2NO2_XCROSS_A2(IW)*(1.0-1.0/TDUM))\n\n ELSE\n\n FACTOR = 1.0\n\n ENDIF\n\n! print*,JLABEL,TLEV(I)-T298K,factor* XC(I, IW), XCROSS(I,IW)\n XC(I, IW) = FACTOR * XC(I, IW)\n SQ(I, IW) = XC(I,IW) * QY(I,IW)\n\n ENDDO\n ENDDO\n\n REPLACE = .TRUE.\n\n CASE( 'NO3NO-06', 'NO3NO_06', 'NO3NO_RACM2' ) ! 'NO3 -> NO + O2'\n\n! temperature correction to cross-section and quantum yield\n\n DO IW = 1, NW\n DO I = 1, NZ\n FACTOR = (1.0-EXP(-1096.4/TLEV(I)) - 2.0*EXP(-529.5/TLEV(I)))\n & / (1.0-EXP(-1096.4/ T298K ) - 2.0*EXP(-529.5/ T298K ))\n\n XC(I, IW) = FACTOR * XC(I, IW)\n! print*,JLABEL,TLEV(I)-T298K,XC(I, IW), XCROSS(I,IW)\n QY(I, IW) = ADJ_QY_NO3_NO(IW,I) * QY(I, IW)\n QY(I, IW) = MIN(1.0, QY(I, IW))\n QY(I, IW) = MAX(0.0, QY(I, IW))\n SQ(I, IW) = XC(I,IW) * QY(I,IW)\n\n ENDDO\n ENDDO\n\n REPLACE = .TRUE.\n\n CASE( 'CLONO2-2', 'CLONO2_2' ) ! 'ClONO2 -> Cl + NO3'\n\n! temperature correction to cross-section \n\n DO IW = 1, NW\n DO I = 1, NZ\n XC(I, IW) = ADJ_CLONO2_XCROSS(IW,I) * XC(I, IW)\n! print*,JLABEL,TLEV(I)-T298K,XC(I, IW), XCROSS(I,IW)\n SQ(I, IW) = XC(I,IW) * QY(I,IW)\n ENDDO\n ENDDO\n\n REPLACE = .TRUE.\n\n CASE( 'CLONO2-1', 'CLONO2_1' ) ! 'ClONO2 -> ClO + NO2'\n\n! temperature correction to cross-section \n\n DO IW = 1, NW\n DO I = 1, NZ\n XC(I, IW) = ADJ_CLONO2_XCROSS(IW,I) * XC(I, IW)\n! print*,JLABEL,TLEV(I)-T298K,XC(I, IW), XCROSS(I,IW)\n\n SQ(I, IW) = XC(I,IW) * QY(I,IW)\n ENDDO\n ENDDO\n\n REPLACE = .TRUE.\n\n CASE( 'CCHO_R', 'ALD2_R_IUPAC10', 'ALD2_R_IUPAC13', 'CH3CHO_RACM2','CCHO_R1_MCMv32 ', 'CCHO_R2_MCMv32 ' ) ! 'CH3CHO -> CH3 + HCO'\n\n! density correction to quantum yield recommended in \n! http://iupac.pole-ether.fr/htdocs/datasheets/pdf/P2_CH3CHO+hv.pdf dated June 2013 \n! and based on \n! Warneck, P. and Moortgat, G.K. (2012). Quantum yields and photodissociation coefficients of \n! acetaldehyde in the troposphere, Atmos. Environ., 62, 153-163.\n\n DO IW = 1, NW\n! WRITE(6,'(A,3(1X,ES12.4))') ' WAVE, CCHO_QUANT_INFIN( IW ), CCHO_YIELD_COEFF( IW )',\n! & WC(IW), CCHO_QUANT_INFIN( IW ), CCHO_YIELD_COEFF( IW )\n DO I = 1, NZ\n \n IF( CCHO_QUANT_INFIN( IW ) .GT. 1.0E-5 )THEN\n FACTOR = ( 1.0/CCHO_QUANT_INFIN( IW ) + 2.465E19 * CCHO_YIELD_COEFF( IW ) )\n & / ( 1.0/CCHO_QUANT_INFIN( IW ) + DENS(I) * CCHO_YIELD_COEFF( IW ) )\n ELSE\n FACTOR = 1.0\n END IF\n\n QY(I, IW) = FACTOR * QY(I, IW)\n QY(I, IW) = MIN(1.0, QY(I, IW))\n QY(I, IW) = MAX(0.0, QY(I, IW))\n\n SQ(I, IW) = XC(I,IW) * QY(I, IW)\n ENDDO\n ENDDO\n\n\n REPLACE = .TRUE.\n CASE( 'ACET_CO_CRI', 'CH3COCH3B_JPL19' ) ! Acetone (CH3COCH3 ) ---> 2CH3 + CO\n! http://iupac.pole-ether.fr/htdocs/datasheets/pdf/P7_CH3COCH3+hv.pdf dated 2013\n! based on \n! Blitz, M. A., Heard, D. E., Pilling, M. J., Arnold S. R. and M. Chipperfield, Geophys. Res. Lett. \n! L06111, doi:10.1029/2003GL018793, 2004.\n DO IW = 1, NW\n DO I = 1, NZ\n CALL QY_ACETONE_CHANNELS( TLEV( I ), DENS0, WC(IW), PHI_CO, PHI_CH3CO )\n CALL QY_ACETONE_CHANNELS( T298K, DENS0, WC(IW), PHI_CO_STP, PHI_CH3CO_STP ) \n IF( PHI_CO_STP .GT. 0.0 )THEN\n CHI = PHI_CO / PHI_CO_STP\n ELSE\n CHI = 1.0\n END IF\n CHI = ADJ_PHI_CO(I,IW)\n XC(I, IW) = ADJ_ACETONE_XCROSS( I, IW ) * XC(I, IW)\n QY(I, IW) = CHI * QY(I, IW)\n SQ(I, IW) = XC(I,IW) * QY(I, IW)\n\n SIG = DENS0\n DO IZ = 1, 2\n CALL QY_ACETONE_CHANNELS( TLEV( I ), DENS0, WC(IW), PHI_CO_STP, PHI_CH3CO_STP )\n CALL QY_ACETONE_CHANNELS( TLEV( I ), SIG, WC(IW), PHI_CO, PHI_CH3CO )\n IF( PHI_CO_STP .GT. 0.0 )THEN\n CHI = PHI_CO / PHI_CO_STP\n ELSE\n CHI = 1.0\n END IF\n IF( PHI_CH3CO_STP+PHI_CO_STP .GT. 0.0 )THEN\n PHI =(PHI_CH3CO+PHI_CO) / ( PHI_CH3CO_STP+PHI_CO_STP )\n ELSE\n PHI = 1.0\n END IF\n \n WRITE(6,'(A,F13.6,1X,E12.4,10(1X,F13.6))')\n & 'TEMP, SIG, WC( IW ), QYCO,QYCO_STP, RATIO_QYCO, RQUANTUM_ACETONE, RATIO_TOTAL = ', \n & TLEV( I ), SIG, WC( IW ), PHI_CO,PHI_CO_STP, CHI, \n & RQUANTUM_ACETONE( TLEV( I ), SIG, WC( IW ) ),PHI\n SIG = 0.5 * SIG\n END DO\n\n ENDDO\n ENDDO\n\n REPLACE = .TRUE.\n CASE( 'ACET_R2_CRI', 'CH3COCH3A_JPL19' ) ! Acetone (CH3COCH3 ) ---> CH3CO+CH3 \n! http://iupac.pole-ether.fr/htdocs/datasheets/pdf/P7_CH3COCH3+hv.pdf dated 2013\n! based on \n! Blitz, M. A., Heard, D. E., Pilling, M. J., Arnold S. R. and M. Chipperfield, Geophys. Res. Lett. \n! L06111, doi:10.1029/2003GL018793, 2004.\n SIG = DENS0\n DO I = 1, NZ\n DO IW = 1, NW\n CALL QY_ACETONE_CHANNELS( TLEV( I ), DENS0, WC(IW), PHI_CO, PHI_CH3CO )\n CALL QY_ACETONE_CHANNELS( T298K, DENS0, WC(IW), PHI_CO_STP, PHI_CH3CO_STP ) \n IF( PHI_CH3CO_STP .GT. 0.0 )THEN\n CHI = PHI_CH3CO/PHI_CH3CO_STP \n ELSE\n CHI = 1.0\n END IF \n CHI = ADJ_PHI_CH3CO(I,IW) \n XC(I, IW) = ADJ_ACETONE_XCROSS( I, IW ) * XC(I, IW)\n QY(I, IW) = CHI * QY(I, IW)\n SQ(I, IW) = XC(I,IW) * QY(I, IW)\n\n SIG = DENS0\n DO IZ = 1, 2\n CALL QY_ACETONE_CHANNELS( TLEV( I ), DENS0, WC(IW), PHI_CO_STP, PHI_CH3CO_STP )\n CALL QY_ACETONE_CHANNELS( TLEV( I ), SIG, WC(IW), PHI_CO, PHI_CH3CO )\n IF( PHI_CH3CO_STP .GT. 0.0 )THEN\n CHI = PHI_CH3CO/PHI_CH3CO_STP\n ELSE\n CHI = 1.0\n END IF\n WRITE(6,'(A,F13.6,1X,E12.4,10(1X,F13.6))')\n & 'TEMP, SIG, WC( IW ), QYCH3CO,QYCH3CO_STP, RATIO_QYCH3CO,RQY_ACETONE_CH3CO = ', \n & TLEV( I ), SIG, WC( IW ), PHI_CH3CO,PHI_CH3CO_STP, CHI , RQY_ACETONE_CH3CO( TLEV( I ), SIG, WC( IW ) )\n SIG = 0.5 * SIG\n END DO\n\n ENDDO\n ENDDO\n\n REPLACE = .TRUE.\n CASE( 'CH3ONO2_MCMv32' ) ! CH3ONO2 --> CH3O + NO2\n!Methyl nitrate (CH3ONO2) T dependent cross sections\n!CH3ONO2 --> CH3O + NO2\n!http://iupac.pole-ether.fr/htdocs/datasheets/pdf/P14_CH3ONO2+hv.pdf dated May 2002\n DO IW = 1, NW\n DO I = 1, NZ\n FACTOR = EXP(CH3ONO2_XCROSS_B(IW)*(TLEV(I)-T298K))\n XC(I, IW) = FACTOR * XC(I, IW)\n SQ(I, IW) = XC(I,IW) * QY(I, IW)\n ENDDO\n ENDDO\n REPLACE = .TRUE.\n CASE( 'ETHYNO3_MCMv32' ) ! CH3CH2ONO2 --> C2H5O + NO2\n!ethyl nitrate cross-sections (CH3CH2ONO2)\n!CH3CH2ONO2 --> C2H5O + NO2\n!http://iupac.pole-ether.fr/htdocs/datasheets/pdf/P15_C2H5ONO2+hv.pdf dated May 2002\n DO IW = 1, NW\n DO I = 1, NZ\n FACTOR = EXP(ETHYNO3_XCROSS_B(IW)*(TLEV(I)-T298K))\n XC(I, IW) = FACTOR * XC(I, IW)\n SQ(I, IW) = XC(I,IW) * QY(I, IW)\n ENDDO\n ENDDO\n REPLACE = .TRUE.\n CASE( 'PAN', 'PAN_IUPAC04', 'PAN_IUPAC10' ) ! 'PAN + hv -> PRODUCTS'\n\n! temperature correction to cross-section \n\n DO IW = 1, NW\n DO I = 1, NZ\n FACTOR = EXP(PAN_XCROSS_B(IW)*(TLEV(I)-T298K))\n XC(I, IW) = FACTOR * XC(I, IW)\n SQ(I, IW) = XC(I,IW) * QY(I, IW)\n ENDDO\n ENDDO\n\n\n REPLACE = .TRUE.\n\n CASE( 'PAN1_RACM2', 'PAN2_RACM2' ) ! 'PAN + hv -> PRODUCTS'\n\n\n! temperature correction to cross-section \n\n DO IW = 1, NW\n DO I = 1, NZ\n FACTOR = EXP(PAN_XCROSS_B(IW)*(TLEV(I)-T298K))\n XC(I, IW) = FACTOR * XC(I, IW)\n SQ(I, IW) = XC(I,IW) * QY(I, IW)\n ENDDO\n ENDDO\n\n\n REPLACE = .TRUE.\n CASE( 'GLY_R_IUPAC10', 'GLY_R_IUPAC13', 'GLYOX_R_CRI', 'GLYOX_M_CRI' )\n\n\n DO IW = 1, NW\n CHI = QY_GLYOXAL( T298K, DENS0, WC( IW ) )\n SIG = DENS0\n DO I = 1, NZ\n IF( CHI .GT. 0.0 )THEN\n FACTOR = QY_GLYOXAL( TLEV( I ), DENS( I ), WC( IW ) )\n & / CHI \n ELSE\n FACTOR = 1.0\n END IF\n QY(I, IW) = MIN(1.0, MAX(0.0, FACTOR * QY(I, IW)))\n SQ(I, IW) = XC(I,IW) * QY(I, IW)\n#ifdef verbose\n WRITE(6,'(A,10(1X,ES12.4))')'SIG, WC( IW ), RQY_GLYOXAL( T298K, SIG, WC( IW ) ) = ',\n & SIG, WC( IW ), RQY_GLYOXAL( T298K, SIG, WC( IW ) ),QY_GLYOXAL( T298K, SIG, WC( IW ) )\n & /QY_GLYOXAL( T298K, DENS0, WC( IW ) )\n\n#endif\n SIG = 0.90*SIG\n ENDDO\n ENDDO\n\n\n REPLACE = .TRUE.\n\n\n CASE( 'NC3CHO_R_MCMv32', 'NC3CHO_M_MCMv32' )\n!Number density correction to quantum yield\n!IUPAC 2002 Recommendation\n!http://iupac.pole-ether.fr/htdocs/datasheets/pdf/P11_nC3H7CHO+hv.pdf\n DO I = 1, NZ\n ADJUST( I ) = ( 1.81 + 4.919E-3 * T298K )\n & / ( 1.81 + 2.000E-22 * DENS( I ) * TLEV( I ) )\n END DO\n DO IW = 1, NW\n DO I = 1, NZ\n QY(I, IW) = MIN(1.0, MAX(0.0, ADJUST( I ) * QY(I, IW)))\n SQ(I, IW) = XC(I,IW) * QY(I, IW)\n END DO\n END DO\n REPLACE = .TRUE.\n\n CASE( 'C2CHO', 'ALD_RACM2', 'ALD_JPL19', 'ALDX_R_IUPAC10' ) ! 'C2H5CHO -> C2H5 + HCO'\n\n! density correction to quantum yield\n\n DO IW = 1, NW\n DO I = 1, NZ\n\n IF(QY(I,IW) .LE. 1.0E-6) THEN\n FACTOR = 1.0\n ELSE\n FACTOR = 1.0\n & / (1.0 + (1.0/QY(I,IW) - 1.0)*DENS(I)/2.465E19)\n ENDIF\n\n QY(I, IW) = FACTOR * QY(I, IW)\n QY(I, IW) = MIN(1.0, QY(I, IW))\n QY(I, IW) = MAX(0.0, QY(I, IW))\n SQ(I, IW) = XC(I,IW) * QY(I, IW)\n\n ENDDO\n ENDDO\n\n\n REPLACE = .TRUE.\n\n CASE( 'NO3NO2-6', 'NO3NO2_6', 'NO3NO2_06', 'NO3NO2_RACM2' ) ! 'NO3 -> NO2 + O(3P)'\n\n! temperature correction to cross-section and quantum yield\n\n DO IW = 1, NW\n DO I = 1, NZ\n FACTOR = (1.0-EXP(-1096.4/TLEV(I)) - 2.0*EXP(-529.5/TLEV(I)))\n & / (1.0-EXP(-1096.4/ T298K ) - 2.0*EXP(-529.5/ T298K ))\n\n XC(I, IW) = FACTOR * XC(I, IW)\n\n print*,JLABEL,TLEV(I)-T298K,XC(I, IW) , XCROSS(I,IW)\n QY(I, IW) = ADJ_QY_NO3_NO2(IW,I) * QY(I, IW)\n QY(I, IW) = MIN(1.0, QY(I, IW))\n QY(I, IW) = MAX(0.0, QY(I, IW))\n\n SQ(I, IW) = XC(I,IW) * QY(I, IW)\n\n ENDDO\n ENDDO\n\n REPLACE = .TRUE.\n\n CASE( 'HNO3', 'HNO3_IUPAC04', 'HNO3_IUPAC10', 'HNO3_RACM2' )\n\n! temperature correction to cross-section \n\n DO IW = 1, NW\n DO I = 1, NZ\n\n FACTOR = EXP(HNO3_XCROSS_EXP(IW)*(TLEV(I)-T298K))\n\n print*,JLABEL,TLEV(I)-T298K,factor* XC(I, IW), XCROSS(I,IW) \n\n XC(I, IW) = FACTOR * XC(I, IW)\n\n SQ(I, IW) = XC(I, IW) * QY(I,IW)\n \n ENDDO\n ENDDO\n\n\n REPLACE = .TRUE.\n\n CASE( 'MVK-06', 'ISPD', 'MVK_06', 'MVK_RACM2' )\n\nC quantum yield correction from\nC Gierczak, T., J. B. Burkholder, R. K. Talukdar, A. Mellouki, S. B. Barone,\nC and A. R. Ravishankara, Atmospheric fate of methyl vinyl ketone and methacrolein,\nC J. Photochem. Photobiol A: Chemistry, 110 1-10, 1997.\nC depends on pressure and wavelength, set upper limit to 1.0\nC However, chamber evaluations for SAPRC07T require a pressure correction where\nC number density coefficient is five times higher.\n DO IW = 1, NW\n DO I = 1, NZ\n\n FACTOR = (5.5 + 5.0*9.2E-19*2.465E+19)\n & / (5.5 + 5.0*9.2E-19*DENS(I))\n \n \n QY(I, IW) = FACTOR * QY(I, IW)\n QY(I, IW) = MIN(1.0, QY(I, IW))\n QY(I, IW) = MAX(0.0, QY(I, IW))\n SQ(I, IW) = XC(I,IW)* QY(I, IW)\n\n ENDDO\n ENDDO\n\n\n REPLACE = .TRUE.\n\n CASE( 'MACR_MCMv32', 'MACR-06', 'MACR_06', 'MACR_RACM2' )\n\nC quantum yield based on 2.76 times MVK from\nC Gierczak, T., J. B. Burkholder, R. K. Talukdar, A. Mellouki, S. B. Barone,\nC and A. R. Ravishankara, Atmospheric fate of methyl vinyl ketone and methacrolein,\nC J. Photochem. Photobiol A: Chemistry, 110 1-10, 1997.\nC depends on pressure and wavelength, set upper limit to 1.0\nC However, chamber evaluations for SAPRC07T require a pressure correction where\nC number density coefficient is five times higher.\n\n! density correction to quantum yield\n\n DO IW = 1, NW\n DO I = 1, NZ\n\n FACTOR = (5.5 + 5.0*9.2E-19*2.465E+19)\n & / (5.5 + 5.0*9.2E-19*DENS(I))\n \n QY(I, IW) = FACTOR * QY(I, IW)\n QY(I, IW) = MIN(1.0, QY(I, IW))\n QY(I, IW) = MAX(0.0, QY(I, IW))\n SQ(I, IW) = XC(I,IW)* QY(I, IW)\n\n ENDDO\n ENDDO\n\n\n REPLACE = .TRUE.\n\n CASE( 'MEK_MCMv32', 'MEK-06', 'MEK_06')\nC Quantum Yields from \nC Raber, W.H. (1992) PhD Thesis, Johannes Gutenberg-Universitaet, Mainz, Germany.\nC other channels assumed negligible (less than 10%).\nC Total quantum yield = 0.38 at 760 Torr. but Carter\nC adjusts to 0.175 based on chamber tests and sets the values in\nC mechanism definition file.\n! temperature/density correction to quantum yield\n\nC Stern-Volmer form given: 1/phi = 0.96 + 2.22e-3*P(torr)\nC compute local pressure in torr\n DO IW = 1, NW\n DO I = 1, NZ\n IF( QY(I, IW) .GE. 1.0 )THEN\n FACTOR = 1.0\nC NOTE: Case for SAPRC07T where quantum yield is one and adjusts the photolysis rates\nC by a multiplication factor in the mechanism definition file\n ELSE\n PRESSURE = (1.03547E-19*DENS(I)*TLEV(I)) ! units TORR \n FACTOR = (0.96 + 2.22E-3*760.0 )\n & / (0.96 + 2.22E-3*PRESSURE ) \n ENDIF\n\n QY(I, IW) = FACTOR * QY(I, IW)\n QY(I, IW) = MIN(1.0, QY(I, IW))\n QY(I, IW) = MAX(0.0, QY(I, IW))\n SQ(I, IW) = XC(I,IW) * QY(I, IW)\n\n ENDDO\n ENDDO\n\n REPLACE = .TRUE.\n\n CASE( 'H2O2', 'H2O2_SAPRC99', 'H2O2_RACM2', 'H2O2_IUPAC10' )\n\n! Provide cross section and quantum yield for H2O2 photolysis \n! H2O2 + hv -> 2 OH between 260 and 350 nm \n! Otherwise use Cross section from file\n DO I = 1, NZ\n DO IW = 1, NW\n\n IF(WC(IW) .GE. 260.0 .AND. WC(IW) .LE. 350.0)THEN \n! compute cross section at TLEV\n CHI = REAL( 1.0D0 /(1.0D0 + EXP(-1265.0D0/MAX(200.0D0, MIN(REAL(TLEV(I),8),400.0D0))) ), 4)\n SIG = CHI*H2O2_XCROSS_A(IW) + (1.0 - CHI)*H2O2_XCROSS_B(IW)\n! compute correction factor normalized by value at T298K\n CHI = REAL( 1.0D0 /(1.0D0 + EXP(-1265.0D0/REAL(T298K,8)) ), 4)\n FACTOR = SIG\n & / (CHI*H2O2_XCROSS_A(IW) + (1.0 - CHI)*H2O2_XCROSS_B(IW))\n\n ELSE\n\n FACTOR = 1.0\n\n ENDIF\n\n print*,JLABEL,TLEV(I)-T298K,factor* XC(I, IW), XCROSS(I,IW) \n XC(I, IW) = FACTOR * XC(I, IW)\n SQ(I, IW) = XC(I, IW) * QY(I,IW)\n\n ENDDO\n ENDDO\n\n REPLACE = .TRUE.\n\n CASE( 'MGLY-06' , 'BACL-07', 'MGLY_06' , 'BACL_07', 'MGLY_IUPAC04', 'MGLY_IUPAC10' )\n\n! temperature/density correction to quantum yield\n\n DO IW = 1, NW\n \n DO I = 1, NZ\n\nC QY(I,IW) = MIN( QY(I,IW), 1.0)\nC QY(I,IW) = MAX( QY(I,IW), 0.0)\n! Recommendation in NASA JPL (2011). Computed pressures are differences \n! between layer pressures and pressure of interpolated values. Pressure units are Torrs.\n PRESSURE = (1.03547E-19*DENS(I)*TLEV(I)) ! TORR \n PRESSURE = MIN(472.0, PRESSURE)\n\n IF(WC(IW) .LT. 500.0 .AND. WC(IW) .GT. 240.0)THEN\n IF( WC( IW ) .LE. 370.0 )THEN \n PRESSURE = MAX( 400.0, 1.03547E-19 * DENS(I) * TLEV(I) )\n & - 2.5524 * TLEV(I)\n ELSE\n PRESSURE = ( 1.03547E-19 * DENS(I) - 2.5524 ) * TLEV(I)\n END IF\n IF( QY(I,IW) .GT. 0.0001 .AND. QY(I,IW) .LT. 0.9999 )THEN\n CHI = QY(I,IW) \n SIG = 1.0 \n & /( 1.0 / QY( I, IW ) + 1.93E4 * EXP( -5639.0 / WC(IW) ) * PRESSURE )\n\n FACTOR = SIG / CHI \n ELSE\n FACTOR = 1.0\n ENDIF\n ELSE \n FACTOR = 1.0\n ENDIF\n\n QY(I, IW) = FACTOR * QY(I, IW)\n QY(I, IW) = MIN(1.0, QY(I, IW))\n QY(I, IW) = MAX(0.0, QY(I, IW))\n SQ(I, IW) = XC(I,IW) * QY(I, IW)\n\n ENDDO\n ENDDO\n\n\n REPLACE = .TRUE.\n\n CASE( 'BIACET_MCMv32' )\n! Biacetyl quantum yield (CH3CO + CH3CO) = 0.158 for wavelength less than 460 nm\n! Pressure correction based on phi(z=infi) and ph(z=0) values based on\n! http://iupac.pole-ether.fr/htdocs/datasheets/pdf/P23_Biacetyl+hv.pdf dated 2011\n! by solving the below for kq\n! phi(z=infi)/ph(z=0) = (0.76/0.16) = 1.0 + kq*Temp(z=0)*Number_Density(z=0)\n! where Temp(z=0) = 298.15K and Number_Density(z=0) = 2.46E19 molecules/cm3\n DO IW = 1, NW\n DO I = 1, NZ\n FACTOR = ( 1.0 + 5.19481E-22 * DENS0 * T298K )\n & / ( 1.0 + 5.19481E-22 * DENS(I) * TLEV( I ) )\n\n QY(I, IW) = MAX( MIN( FACTOR * QY(I, IW), 1.0), 0.0)\n SQ(I, IW) = XC(I,IW) * QY(I, IW)\n\n ENDDO\n ENDDO\n\n REPLACE = .TRUE.\n\n CASE( 'ACRO-09', 'ACRO_09', 'ACROLEIN_SAPRC99')\n\n! density correction quantum yield\n\n DO IW = 1, NW\n\n DO I = 1, NZ\n\n QY(I,IW) = MIN( QY(I,IW), 1.0)\n QY(I,IW) = MAX( QY(I,IW), 0.0)\n\nC Number density dependence based on Gardner et. al (1997), \nC J. Phys. Chem., vol 91, pages 1922. The application uses\nC the quantum yields set in in cross-section file. For \nC SAPRC07T, yields set approximation four times NASA (2006)\nC because the mechanism developer sums over all possible channels and\nC Gardner et. al may support this conclusion. \n\n IF(DENS(I) .GE. 8.0E+17)THEN\n!!!!!! QDUM = (4.0E-3 + 1.0/(8.6E-2 + 1.613E-17*DENS(I)))\n!!!!!!& / 0.006384\n FACTOR = (4.0E-3 + 1.0/(8.6E-2 + 1.613E-17*DENS(I)))\n & / (4.0E-3 + 1.0/(8.6E-2 + 1.613E-17*DENS0 ))\n ELSE IF(DENS(I) .LT. 8.0E+17)THEN\n!!!!!!! FACTOR = 12.00713\n FACTOR = (4.0E-3 + 1.0/(8.6E-2 + 1.613E-17*8.0E+17))\n & / (4.0E-3 + 1.0/(8.6E-2 + 1.613E-17*DENS0 ))\n ENDIF\n\n QY(I, IW) = FACTOR * QY(I, IW)\n QY(I, IW) = MIN(1.0, QY(I, IW))\n QY(I, IW) = MAX(0.0, QY(I, IW))\n SQ(I, IW) = XC(I,IW) * QY(I, IW) \n\n ENDDO\n ENDDO\n\n REPLACE = .TRUE.\n\n CASE( 'HCHOR-06', 'HCHOR_06', 'FORM_R_IUPAC10', 'FORM_R_IUPAC13', 'HCHO_R_SAPRC99', 'HCHO_RAD_RACM2',\n & 'HCHO_RAD_JPL19' ) ! 'CH2O -> H + HCO' \n\n\n! temperature correction to cross-section \n\n DO IW = 1, NW\n DO I = 1, NZ\n\n CHI = HCHO_XCROSS_300K(IW) + HCHO_XCROSS_A(IW)*(T298K-300.0)\n\n IF(TLEV(I) .LT. 300.0 .AND. TLEV(I) .GT. 195.0)THEN\n SIG = HCHO_XCROSS_300K(IW) + HCHO_XCROSS_A(IW)*(TLEV(I)-300.0)\n ELSE IF( TLEV(I) .LE. 195.0)THEN\n SIG = HCHO_XCROSS_300K(IW) - HCHO_XCROSS_A(IW)*105.0\n ELSE\n SIG = HCHO_XCROSS_300K(IW)\n ENDIF\n \n IF( CHI .GT. 0.0 )THEN\n FACTOR = MAX( SIG, 0.0)/ CHI\n ELSE\n FACTOR = 1.0\n END IF\n\n XC(I, IW) = FACTOR * XC(I, IW)\n print*,JLABEL,TLEV(I)-T298K,XC(I, IW), XCROSS(I,IW) \n\n QY(I, IW) = ADJ_HCHO_QUANTR(IW, I) * QY(I, IW)\n QY(I, IW) = MIN(1.0, QY(I, IW))\n QY(I, IW) = MAX(0.0, QY(I, IW))\n\n SQ(I, IW) = XC(I,IW) * QY(I, IW) \n\n ENDDO\n ENDDO\n\n\n REPLACE = .TRUE.\n\n CASE( 'HCHO_M_MCMv32', 'HCHOM-06', 'HCHOM_06', 'FORM_M_IUPAC10', 'FORM_M_IUPAC13', 'HCHO_M_SAPRC99', 'HCHO_MOL_RACM2',\n & 'HCHO_MOL_JPL19' ) ! 'CH2O -> H2 + CO'\n\n! temperature correction to cross-section \n\n DO IW = 1, NW\n DO I = 1, NZ\n CHI = HCHO_XCROSS_300K(IW) + HCHO_XCROSS_A(IW)*(T298K-300.0)\n\n IF(TLEV(I) .LT. 300.0 .AND. TLEV(I) .GT. 195.0)THEN\n SIG = HCHO_XCROSS_300K(IW) + HCHO_XCROSS_A(IW)*(TLEV(I)-300.0)\n ELSE IF( TLEV(I) .LE. 195.0)THEN\n SIG = HCHO_XCROSS_300K(IW) - HCHO_XCROSS_A(IW)*105.0\n ELSE\n SIG = HCHO_XCROSS_300K(IW)\n ENDIF\n \n IF( CHI .GT. 0.0 )THEN\n FACTOR = MAX( SIG, 0.0)/ CHI\n ELSE\n FACTOR = 1.0\n END IF\n print*,JLABEL,TLEV(I)-T298K,factor* XC(I, IW), XCROSS(I,IW) \n\n XC(I, IW) = FACTOR * XC(I, IW)\n\n! QY(I, IW) = ADJ_HCHO_QUANTM(IW,I) * QY(I, IW)\n IF(WC(IW) .GE. 330.0 .AND. HCHO_QUANTM_STP(IW) .GT. 0.0)THEN\n\n QDUM = 1.0/HCHO_QUANTM_STP(IW) ! need to subst actual value in QY \n BETA = 1.0/(1.0-HCHO_QUANTR_STP(IW)) ! need to subst actual value in QY \n\n IF( TLEV(I) .LT. 300.0 .AND. TLEV(I) .GT. 220.0)THEN\n PRESSURE = 1.36312E-22*DENS(I)*TLEV(I)\n ALPHA = (QDUM - BETA)\n & * (1.+0.05*(WC(IW)-329.0)*((TLEV(I)-80.0)/80.0)) \n ELSEIF( TLEV(I) .LE. 220.0)THEN\n PRESSURE = 3.0E-20*DENS(I)\n ALPHA = (QDUM - BETA) \n & * (1.+0.0875*(WC(IW)-329.0))\n ELSEIF( TLEV(I) .GE. 300.)THEN\n PRESSURE = 4.09E-20*DENS(I)\n ALPHA = (QDUM - BETA)\n & * (1.+0.1375*(WC(IW)-329.0))\n ENDIF\n \n! reduce wavelength dependence\n FACTOR = (BETA + 3.3601E-3 * 298.0 *ALPHA)\n & / (BETA + PRESSURE*ALPHA)\n\n ELSE\n\n FACTOR = 1.0\n ENDIF\n\n QY(I, IW) = FACTOR * QY(I, IW)\n QY(I, IW) = MIN(1.0, QY(I, IW))\n QY(I, IW) = MAX(0.0, QY(I, IW))\n\n SQ(I, IW) = XC(I,IW) * QY(I, IW) \n\n ENDDO\n ENDDO\n\n REPLACE = .TRUE.\n\n CASE( 'O3O1D-06', 'O3O1D_06', 'O3_O1D_IUPAC10', 'O3_O1D_IUPAC04','O3O1D_NASA06' ) ! 'O3 -> O2 + O(1D)'\n\n! temperature correction to cross-section \n\n DO IW = 1, NW\n DO I = 1, NZ\n\n FACTOR = MAX( ADJ_O3_XCROSS(IW,I), 0.0)\n XC(I, IW) = FACTOR * XC(I, IW)\n\n print*,JLABEL,TLEV(I)-T298K,WC(IW),XC(I,IW), XCROSS(I,IW),ADJ_O3_XCROSS(IW,I) \n\n! the below IF block forces the yields of O3P and O1D to add to one\n! assumes that NZ and NW does not change between subroutine calls \n\n IF( .NOT. COMPUTED_O3O3P .AND. .NOT. COMPUTED_O3O1D )THEN\n FACTOR = MAX( ADJ_O3O1D_QUANT(IW,I), 0.0)\n FACTOR = 1.0\n QY(I, IW) = FACTOR * QY(I, IW)\n QY(I, IW) = MIN( QY(I, IW), 1.0)\n O3O1D_YIELD( I, IW ) = QY(I, IW)\n IF( IW .GE. NW .AND. I .GE. NZ )COMPUTED_O3O1D = .TRUE.\n ELSE IF( COMPUTED_O3O3P .AND. .NOT. COMPUTED_O3O1D )THEN\n QY(I, IW) = MAX((1.0-O3O3P_YIELD( I, IW )), 0.0)\n O3O1D_YIELD( I, IW ) = QY(I, IW)\n IF( IW .GE. NW .AND. I .GE. NZ )COMPUTED_O3O1D = .TRUE.\n ELSE IF( COMPUTED_O3O1D )THEN\n QY(I, IW) = O3O1D_YIELD( I, IW )\n END IF\n \n print*,JLABEL,TLEV(I)-T298K,WC(IW), QY(I, IW), QUANT(I,IW)\n SQ(I, IW) = XC(I,IW) * QY(I, IW) \n\n ENDDO\n ENDDO\n\n\n REPLACE = .TRUE.\n\n CASE( 'O3O3P-06', 'O3O3P_06', 'O3_O3P_IUPAC10', 'O3_O3P_IUPAC04', 'O3O3P_NASA06' ) ! 'O3 -> O2 + O(3P)'\n\n! temperature correction to cross-section \n\n DO IW = 1, NW\n DO I = 1, NZ\n\n FACTOR = MAX( ADJ_O3_XCROSS(IW,I), 0.0)\n XC(I, IW) = FACTOR * XC(I, IW)\n\n print*,JLABEL,TLEV(I)-T298K,WC(IW),XC(I,IW), XCROSS(I,IW),ADJ_O3_XCROSS(IW,I) \n\n! the below IF block forces the yields of O3P and O1D to add to one\n! assumes that NZ and NW does not change between subroutine calls \n\n IF( .NOT. COMPUTED_O3O3P .AND. .NOT. COMPUTED_O3O1D )THEN\n FACTOR = MAX( ADJ_O3O3P_QUANT(IW,I), 0.0)\n QY(I, IW) = FACTOR * QY(I, IW)\n QY(I, IW) = MIN( QY(I, IW), 1.0)\n O3O3P_YIELD( I, IW ) = QY(I, IW)\n IF( IW .GE. NW .AND. I .GE. NZ )COMPUTED_O3O3P = .TRUE.\n print*,JLABEL,TLEV(I)-T298K, QY(I, IW), QUANT(I,IW)\n ELSE IF( .NOT. COMPUTED_O3O3P .AND. COMPUTED_O3O1D )THEN\n QY(I, IW) = MAX((1.0-O3O1D_YIELD( I, IW )), 0.0)\n O3O3P_YIELD( I, IW ) = QY(I, IW)\n IF( IW .GE. NW .AND. I .GE. NZ )COMPUTED_O3O3P = .TRUE.\n print*,JLABEL,TLEV(I)-T298K, WC(IW), QY(I, IW), QUANT(I,IW), O3O1D_YIELD( I, IW )\n ELSE IF( COMPUTED_O3O3P )THEN\n QY(I, IW) = O3O3P_YIELD( I, IW )\n print*,JLABEL,TLEV(I)-T298K, QY(I, IW), QUANT(I,IW)\n END IF\n \n SQ(I, IW) = XC(I,IW) * QY(I, IW) \n\n ENDDO\n ENDDO\n\n\n REPLACE = .TRUE.\n\n CASE( 'ACET-06', 'ACET_06', 'ACET_IUPAC10', 'ACETONE', 'ACT_RACM2' ) ! 'CH3COCH3 -> products'\n\n FACTOR = 1.0 \n DO IW = 1, NW\n DO I = 1, NZ\n\n! temperature correction to cross-section \n\n SIG = XC_D_ACETONE(IW)\n & + XC_A_ACETONE(IW)*TLEV(I)\n & + XC_B_ACETONE(IW)*TLEV(I)**2\n & + XC_C_ACETONE(IW)*TLEV(I)**3\n\n CHI = XC_D_ACETONE(IW)\n & + XC_A_ACETONE(IW)*T298K\n & + XC_B_ACETONE(IW)*T298K**2\n & + XC_C_ACETONE(IW)*T298K**3\n \n IF( CHI .GT. 0.0 )THEN\n FACTOR = MAX(SIG/CHI, 0.0)\n ELSE\n FACTOR = 1.0\n END IF\n \n XC(I, IW) = FACTOR * XC(I, IW)\n! print*,JLABEL,TLEV(I)-T298K,XC(I, IW) , XCROSS(I,IW)\n\n! temperature/density correction to quantum yield\n CHI = QY_ACETONE(T298K, DENS0, WC(IW))\n IF( CHI .GT. 0.0 )THEN\n FACTOR = QY_ACETONE(TLEV(I),DENS(I),WC(IW))\n & / CHI\n ELSE\n FACTOR = 1.0\n END IF\n\n QY(I, IW) = MAX(FACTOR, 0.0) * QY(I, IW)\n QY(I, IW) = MIN(1.0, QY(I, IW))\n\n SQ(I, IW) = XC(I,IW) * QY(I, IW) \n\n ENDDO\n ENDDO\n\n REPLACE = .TRUE.\n\n CASE( 'CL2', 'CL2_IUPAC04')\n\n! NASA (2006) and IUPAC(2005) recommended cross-section as a function of\n! wavelength and temperature taken from\n! D. Maric et al. (1993) J. Photochem. Photobiol. A: Chem. 70, 205.\n\n DO IW = 1, NW\n DO I = 1, NZ\n\n! temperature correction to cross-section \n\n TDUM = TLEV(I)\n IF(TLEV(I) .GT. 300.0)THEN\n TDUM = 300.0\n ELSEIF(TLEV(I) .LT. 195.0)THEN\n TDUM = 195.0\n ELSE\n TDUM = TLEV(I)\n ENDIF \n\n! may be able to simplfy using definition of tanh and wavelength independence\n ALPHA = TANH(470.676/TDUM)\n BETA = TANH(470.676/T298K)\n \n IF(WC(IW) .GT. 550.0)THEN\n FACTOR = 1.0\n ELSEIF(WC(IW) .LT. 250.0)THEN\n FACTOR = 1.0\n ELSE\n WDUM = WC(IW)\n SIG = SQRT(ALPHA)\n & * (27.3 *EXP(-99.0*ALPHA*(LOG(329.5/WDUM))**2)\n & + 0.932*EXP(-91.5*ALPHA*(LOG(406.5/WDUM))**2))\n CHI = SQRT(BETA)\n & * (27.3 *EXP(-99.0*BETA*(LOG(329.5/WDUM))**2)\n & + 0.932*EXP(-91.5*BETA*(LOG(406.5/WDUM))**2))\n FACTOR = SIG / CHI\n ENDIF \n print*,JLABEL,TLEV(I)-T298K,factor * XC(I, IW), XCROSS(I,IW)\n\n! IUPAC (2005) and NASA (2006) recommend quantum yield equal to one when\n! cross-section is nonzero but file's values\n\n XC(I, IW) = FACTOR * XC(I, IW)\n SQ(I, IW) = XC(I,IW) * QY(I, IW) \n\n ENDDO\n ENDDO\n\n REPLACE = .TRUE.\n\n CASE DEFAULT\n\n DO IW = 1, NW\n DO I = 1, NZ\n SQ(I, IW) = XC(I,IW)*QY(I,IW)\n ENDDO\n ENDDO\n\n REPLACE = .FALSE.\n\n END SELECT \n\n FIRSTCALL = .FALSE.\n\n RETURN\n END\nC\n FUNCTION OZONE_YIELD(W, T)\n!-----------------------------------------------------------------------------*\n! taken from Tropospheric Ultraviolet-Visible (TUV) radiation model =*\n! Version 4.5 =*\n! Sep 2007 =*\n!-----------------------------------------------------------------------------*\n! PURPOSE: =*\n* function to calculate the quantum yield O3 + hv -> O(1D) + O2, =*\n* according to: \n* Matsumi, Y., F. J. Comes, G. Hancock, A. Hofzumanhays, A. J. Hynes,\n* M. Kawasaki, and A. R. Ravishankara, QUantum yields for production of O(1D)\n* in the ultraviolet photolysis of ozone: Recommendation based on evaluation\n* of laboratory data, J. Geophys. Res., 107, 10.1029/2001JD000510, 2002.\n!-----------------------------------------------------------------------------*\n! TUV model developed by Sasha Madronich with important contributions from: =*\n! Chris Fischer, Siri Flocke, Julia Lee-Taylor, Bernhard Meyer, =*\n! Irina Petropavlovskikh, Xuexi Tie, and Jun Zen. =*\n! To contact the author, write to: =*\n! Sasha Madronich, NCAR/ACD, P.O.Box 3000, Boulder, CO, 80307-3000, USA or =*\n! send email to: sasha@ucar.edu or tuv@acd.ucar.edu =*\n!-----------------------------------------------------------------------------*\n! This program is free software; you can redistribute it and/or modify =*\n! it under the terms of the GNU General Public License as published by the =*\n! Free Software Foundation; either version 2 of the license, or (at your =*\n! option) any later version. =*\n! The TUV package is distributed in the hope that it will be useful, but =*\n! WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTIBI- =*\n! LITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public =*\n! License for more details. =*\n! To obtain a copy of the GNU General Public License, write to: =*\n! Free Software Foundation, Inc., 675 Mass Ave, Cambridge, MA 02139, USA. =*\n!-----------------------------------------------------------------------------*\n! Copyright (C) 1994,95,96,97,98,99,2000,01,02,03, 04, 05, 06, 07 =*\n! by the University Corporation for Atmospheric Research =*\n!-----------------------------------------------------------------------------*\n IMPLICIT NONE\n\n REAL W ! wavelength, nm\n REAL T ! temperature, deg K\n REAL OZONE_YIELD ! dimensionaless\n\nC local variables\n\n REAL KT\n REAL A(3), X(3), OM(3)\n REAL Q1, Q2 \n\n DATA A/ 0.8036, 8.9061, 0.1192/\n DATA X/ 304.225, 314.957, 310.737/\n DATA OM/ 5.576, 6.601, 2.187/\n \n OZONE_YIELD = 0.0\n KT = 0.695 * T\n Q1 = 1.0\n Q2 = EXP(-825.518/KT)\n \n IF(W .LE. 305.0) THEN\n OZONE_YIELD = 0.90\n ELSEIF(W .GT. 305.0 .AND. W .LE. 328.0) THEN\n\n OZONE_YIELD = 0.0765 + \n & A(1)* (Q1/(Q1+Q2))*EXP(-((X(1)-W)/OM(1))**4.0)+ \n & A(2)*(T/300.)**2.0*(Q2/(Q1+Q2))*EXP(-((X(2)-W)/OM(2))**2.0)+\n & A(3)*(T/300.)**1.5 *EXP(-((X(3)-W)/OM(3))**2.0)\n\n ELSEIF(W .GT. 328.0 .AND. W .LE. 340.0) THEN\n OZONE_YIELD = 0.08\n ELSEIF(W .GT. 340.) THEN\n OZONE_YIELD = 0.0\n ENDIF\n\n END\n\n!============================================================================*\n\n SUBROUTINE JH2O2_260T350NM(WC,TEMP,AIRDEN,XCROSS,QUANT)\n!-----------------------------------------------------------------------------*\n! taken from Tropospheric Ultraviolet-Visible (TUV) radiation model =*\n! Version 4.5 =*\n! Sep 2007 =*\n!-----------------------------------------------------------------------------*\n! PURPOSE: =*\n! Provide cross section and quantum yield for H2O2 photolysis =*\n! H2O2 + hv -> 2 OH between 260 and 350 nm =*\n! Otherwise use Cross section from JPL97, tabulated values @ 298K \n! Quantum yield: Assumed to be unity =*\n!-----------------------------------------------------------------------------*\n! PARAMETERS: =*\n! WC - REAL, center points of wavelength interval (I)=*\n! TLEV - REAL, temperature (K) at altitude level (I)=*\n! AIRDEN - REAL, air density (molec/cc) at altitude level (I)=*\n! xcross - cross section (cm^2) for each (IO)=*\n! photolysis reaction defined, at input wavelength and =*\n! at defined altitude level =*\n! quant - quantum yield for each (IO)=*\n! photolysis reaction defined, at input wavelength and =*\n! at defined altitude level =*\n! JLABEL - CHARACTER*50, string identifier for each photolysis reaction (L)=*\n! defined =*\n!-----------------------------------------------------------------------------*\n\n IMPLICIT NONE\n\n! input\n\n INTEGER NW\n REAL WC\n \n INTEGER NZ\n\n REAL TEMP\n REAL AIRDEN\n\n! weighting functions\n\n CHARACTER(50) JLABEL\n REAL XCROSS,QUANT\n\n! local\n\n REAL YG\n REAL QY\n REAL A0, A1, A2, A3, A4, A5, A6, A7\n REAL B0, B1, B2, B3, B4\n REAL XS\n REAL T\n INTEGER I, IW, N, IDUM\n INTEGER IERR\n REAL LAMBDA\n REAL SUMA, SUMB, CHI\n\n**************** H2O2 photodissociation\n\n! cross section from Lin et al. 1978\n\n JLABEL = 'H2O2 ' ! 'H2O2 -> 2 OH'\n! quantum yield = 1\n\n\n QY = 1.0\n XS = 0.0\n \n! Parameterization (JPL06)\n\n A0 = 6.4761E+04 \n A1 = -9.2170972E+02 \n A2 = 4.535649 \n A3 = -4.4589016E-03 \n A4 = -4.035101E-05 \n A5 = 1.6878206E-07\n A6 = -2.652014E-10\n A7 = 1.5534675E-13\n\n B0 = 6.8123E+03\n B1 = -5.1351E+01\n B2 = 1.1522E-01\n B3 = -3.0493E-05\n B4 = -1.0924E-07\n\n! Range 260-350 nm; 200-400 K\n\n IF ((WC .GE. 260.) .AND. (WC .LT. 350.)) THEN\n\n LAMBDA = WC\n SUMA = ((((((A7*LAMBDA + A6)*LAMBDA + A5)*LAMBDA + \n & A4)*LAMBDA +A3)*LAMBDA + A2)*LAMBDA + \n & A1)*LAMBDA + A0\n SUMB = (((B4*LAMBDA + B3)*LAMBDA + B2)*LAMBDA + \n & B1)*LAMBDA + B0\n\n! sumA = 1.5534675E-13*lambda**7.0 - 2.652014E-10*lambda**6.0 \n! & + 1.6878206E-07*lambda**5.0 - 4.035101E-05*lambda**4.0\n! & - 4.4589016E-03*lambda**3.0 + 4.535649E+00*lambda**2.0 \n! & - 9.2170972E+02*lambda + 6.4761E+04\n\n! sumB = -1.0924E-07*lambda**4.0 - 3.0493E-05*lambda**3.0 \n! & + 1.1522E-01*lambda**2.0 - 5.1351E+01*lambda \n! & + 6.8123E+03\n\n T = MIN(MAX(TEMP,200.),400.) \n CHI = 1./(1.+EXP(-1265./T))\n XS = (CHI * SUMA + (1.-CHI)*SUMB)*1E-21\n\n ENDIF\n\n XCROSS = XS\n QUANT = QY\n\n RETURN\n END\n\n\n SUBROUTINE JHCHO_NASA_2006(NW, WC, NZ, TLEV, AIRDEN, XCROSS, QUANTR, QUANTM)\n\n!-----------------------------------------------------------------------------*\n! PURPOSE: =*\n! Provide cross section and quantum yields for CH2O photolysis =*\n! (a) CH2O + hv -> H + HCO =*\n! (b) CH2O + hv -> H2 + CO =*\n! Based on recommendations from NASA JPL (2006) \n!-----------------------------------------------------------------------------*\n! PARAMETERS: =*\n! NW - INTEGER, number of specified intervals + 1 in working (I)=*\n! wavelength grid =*\n! WL - REAL, vector of lower limits of wavelength intervals in (I)=*\n! working wavelength grid =*\n! WC - REAL, vector of center points of wavelength intervals in (I)=*\n! working wavelength grid =*\n! NZ - INTEGER, number of altitude levels in working altitude grid (I)=*\n! TLEV - REAL, temperature (K) at each specified altitude level (I)=*\n! AIRDEN - REAL, air density (molec/cc) at each altitude level (I)=*\n! J - INTEGER, counter for number of weighting functions defined (IO)=*\n! SQ - REAL, cross section x quantum yield (cm^2) for each (O)=*\n! photolysis reaction defined, at each defined wavelength and =*\n! at each defined altitude level =*\n! JLABEL - CHARACTER*50, string identifier for each photolysis reaction (O)=*\n! defined =*\n!-----------------------------------------------------------------------------*\n\n USE CSQY_REFER_DATA\n\n IMPLICIT NONE\n\n INTEGER KDATA\n PARAMETER(KDATA=16000)\n\n! input\n INTEGER NW\n REAL WL(KW), WC(KW)\n \n INTEGER NZ\n\n REAL TLEV(KZ)\n REAL AIRDEN(KZ)\n\n! weighting functions\n\n CHARACTER(50) JLABEL(3)\n REAL XCROSS(KW,KZ)\n REAL QUANTR(KW,KZ), QUANTM(KW,KZ)\n\n! input/output:\n\n INTEGER J, IZ, IW\n\n! data arrays\n\n INTEGER N\n REAL X(KDATA), Y(KDATA)\n REAL XL(KDATA), XC(KDATA), XU(KDATA)\n INTEGER N1, N2, N3, N4, N5\n REAL X1(KDATA), X2(KDATA), X3(KDATA), X4(KDATA), X5(KDATA)\n REAL Y1(KDATA), Y2(KDATA), Y3(KDATA), Y4(KDATA), Y5(KDATA)\n\n! local\n\n REAL YG(KW), YG1(KW), YG2(KW), YG3(KW), YG4(KW), YG5(KW)\n REAL A, B, C\n REAL A0, A1, A2, A3, A4, A5, A6, A7\n REAL B0, B1, B2, B3, B4\n REAL QY, QY1, QY2, QY3\n\n REAL SIGMA, SIG, SLOPE\n REAL XS\n REAL T\n REAL DUM\n INTEGER IDUM\n\n INTEGER I\n INTEGER IROW, ICOL, IREV\n INTEGER IERR\n\n INTEGER MOPT1, MOPT2\n\n CHARACTER(LEN=120) :: FILE_LINE\n LOGICAL EXISTS\n REAL WU(KW)\n REAL PRESSURE\n REAL PHI1, PHI2, PHI20, AK300, AKT\n REAL TDUM\n\n LOGICAL :: FIRSTCALL = .TRUE.\n\n\n! HCHO photodissociatation\n\n J = 1\n JLABEL(J) = 'HCHOR-06 ' ! 'CH2O -> H + HCO' \n\n J = J+1\n JLABEL(J) = 'HCHOM-06 ' ! 'CH2O -> H2 + CO'\n\n! compute upper limit of wavelength bins\n DO I = 1, NW\n WU(I) = 2.0*WC(I) - WL(I)\n ENDDO\n\n\n N = 150\n\n YG1 = 1.0E-20*YG1\n YG2 = 1.0E-24*YG2\n\n N = 112\n \n IF( FIRSTCALL )THEN\n\n! FIRSTCALL = .false.\n\n \n \n DO IW = 1, NW\n\n TDUM = 265.0\n SIG = HCHO_XCROSS_300K(IW) \n IF(TDUM .LT. 300.0 .AND. TDUM .GT. 195.0)THEN\n SIG = SIG + HCHO_XCROSS_A(IW)*(TDUM-300.0)\n ELSEIF( TLEV(I) .LE. 195.0)THEN\n SIG = SIG - HCHO_XCROSS_A(IW)*105.0\n ENDIF\n \n QY1 = HCHO_QUANTR_STP(IW)\n IF ( (WC(IW) .GE. 330.) .AND. (HCHO_QUANTM_STP(IW) .GT. 0.) ) THEN\n PHI1 = HCHO_QUANTR_STP(IW)\n PHI2 = HCHO_QUANTM_STP(IW)\n PHI20 = 1. - PHI1\n AK300=((1./PHI2)-(1./PHI20)) ! IS DIVIDED BY 1 ATM\n IF( TDUM .LT. 300.0 .AND. TDUM .GT. 220.0)THEN\n PRESSURE = 82.06*(AIRDEN(I)/6.02E+23)*TDUM\n AKT = AK300\n & * (1.+0.05*(WC(IW)-329.0)*((TDUM-80.0)/80.0))\n ELSEIF( TDUM .LE. 220.0)THEN\n PRESSURE = 3.0E-20*AIRDEN(I)\n AKT = AK300\n & * (1.+0.0875*(WC(IW)-329.0))\n ELSEIF( TDUM .GE. 300)THEN\n PRESSURE = 4.09E-20*AIRDEN(I)\n AKT = AK300\n & * (1.+0.1375*(WC(IW)-329.0))\n ENDIF\n\n QY2 = 1. / ( (1./PHI20) + PRESSURE*AKT)\n\n ELSE\n QY2 = HCHO_QUANTM_STP(IW)\n ENDIF\n \n QY2 = MAX(0.0,QY2)\n QY2 = MIN(1.0,QY2)\n\nC WRITE(6,'(I3,1X,F6.2,6(1X,ES12.4))')IW,WC(IW),SIG,QY1,QY2,\nC & HCHO_XCROSS_300K(IW),HCHO_QUANTR_STP(IW),\nC & HCHO_QUANTM_STP(IW)\n\n ENDDO\n\n ENDIF\n\n DO IW = 1, NW\n DO I = 1, NZ\n! cross-section correction\n SIG = HCHO_XCROSS_300K(IW) \n IF(TLEV(I) .LT. 300.0 .AND. TLEV(I) .GT. 195.0)THEN\n SIG = SIG + HCHO_XCROSS_A(IW)*(TLEV(I)-300.0)\n ELSEIF( TLEV(I) .LE. 195.0)THEN\n SIG = SIG - HCHO_XCROSS_A(IW)*105.0\n ENDIF\n! corrections to quantum yields\n QY1 = HCHO_QUANTR_STP(IW)\n IF(WC(IW) .GE. 330.0 .AND. HCHO_QUANTM_STP(IW) .GT. 0.0)THEN\n PHI1 = HCHO_QUANTR_STP(IW)\n PHI2 = HCHO_QUANTM_STP(IW)\n PHI20 = 1.0 - PHI1\n AK300=((1./PHI2)-(1./PHI20)) ! IS DIVIDED BY 1 ATM\n IF(TLEV(I) .LT. 300.0 .AND. TLEV(I) .GT. 220.0)THEN\n PRESSURE = 82.06*(AIRDEN(I)/6.02E+23)*TLEV(I)\n AKT = AK300\n & * (1.+0.05*(WC(IW)-329.0)*((TLEV(I)-80.0)/80.0))\n ELSEIF(TLEV(I) .LE. 220.0)THEN\n PRESSURE = 3.0E-20*AIRDEN(I)\n AKT = AK300\n & * (1.+0.0875*(WC(IW)-329.0))\n ELSEIF(TLEV(I) .GE. 300.0)THEN\n PRESSURE = 4.09E-20*AIRDEN(I)\n AKT = AK300\n & * (1.+0.1375*(WC(IW)-329.0))\n ENDIF\n QY2 = 1.0/( 1.0/PHI20 + PRESSURE*AKT )\n ELSE\n QY2 = HCHO_QUANTM_STP(IW)\n ENDIF\n\n QY2 = MAX(0.0,QY2)\n QY2 = MIN(1.0,QY2)\n XCROSS(IW, I) = SIG\n QUANTR(IW, I) = QY1\n QUANTM(IW, I) = QY2\n\n ENDDO\n ENDDO\n\n\n RETURN\n END\n\n!============================================================================*\n\n SUBROUTINE NASA_NO3_QUANTAS(NW,WC,NZ,TLEV,AIRDEN,QYNO3_NO,\n & QYNO3_NO2)\n\n!-----------------------------------------------------------------------------*\n! PURPOSE: =*\n! Provide the quantum yield for =*\n! both channels of NO3 photolysis: =*\n! (a) NO3 + hv -> NO2 + O(3P) =*\n! (b) NO3 + hv -> NO + O2 =*\n!-----------------------------------------------------------------------------*\n! PARAMETERS: =*\n! NW - INTEGER, number of specified intervals + 1 in working (I)=*\n! wavelength grid =*\n! WL - REAL, vector of lower limits of wavelength intervals in (I)=*\n! working wavelength grid =*\n! WC - REAL, vector of center points of wavelength intervals in (I)=*\n! working wavelength grid =*\n! NZ - INTEGER, number of altitude levels in working altitude grid (I)=*\n! TLEV - REAL, temperature (K) at each specified altitude level (I)=*\n! AIRDEN - REAL, air density (molec/cc) at each altitude level (I)=*\n! J - INTEGER, counter for number of weighting functions defined (IO)=*\n! SQ - REAL, cross section x quantum yield (cm^2) for each (O)=*\n! photolysis reaction defined, at each defined wavelength and =*\n! at each defined altitude level =*\n! JLABEL - CHARACTER*50, string identifier for each photolysis reaction (O)=*\n! defined =*\n!-----------------------------------------------------------------------------*\n\n USE CSQY_REFER_DATA\n\n IMPLICIT NONE\n\n\n! Arguments:\n\n INTEGER, INTENT( IN ) :: NW\n INTEGER, INTENT( IN ) :: NZ\n REAL, INTENT( IN ) :: TLEV(KZ)\n REAL, INTENT( IN ) :: AIRDEN(KZ)\n REAL, INTENT( IN ) :: WC(KW)\n REAL, INTENT( OUT ) :: QYNO3_NO2(KW,KZ)\n REAL, INTENT( OUT ) :: QYNO3_NO(KW,KZ) \n\n\n! Local: \n\n INTEGER, PARAMETER :: KDATA = 350\n\n CHARACTER(LEN=120) :: FILE_LINE\n CHARACTER( 50 ) :: JLABEL(3)\n\n REAL :: SQ(1,KZ,KW)\n REAL :: X1(KDATA)\n REAL :: Y1(KDATA),Y2(KDATA),Y3(KDATA)\n REAL :: Z1(KDATA),Z2(KDATA),Z3(KDATA)\n REAL :: QY1(KDATA),QY2(KDATA)\n REAL :: WL(KW), WU(KW)\n REAL :: YG(KW), YG1(KW), YG2(KW)\n REAL :: TEMP_ADJ(KZ)\n REAL :: SLOPE\n REAL :: QY\n\n INTEGER :: IROW, ICOL\n INTEGER :: I, IW, J, N, IDUM\n INTEGER :: IERR\n INTEGER :: MABS\n\n LOGICAL :: EXISTS \n LOGICAL, SAVE :: FIRSTCALL = .TRUE.\n\n! for NO3 ->NO+O2\n J = 0\n J = J + 1\n JLABEL(J) = 'NO3NO-06 ' ! 'NO3 -> NO + O2'\n! for NO3 ->NO2+O\n J = J + 1\n JLABEL(J) = 'NO3NO2-6 ' ! 'NO3 -> NO2 + O(3P)'\n\n TEMP_ADJ = 1.0\n DO I = 1, NZ\n TEMP_ADJ(I) = (1.0-EXP(-1096.4/TLEV(I))\n & - 2.0*EXP(-529.5/TLEV(I)))\n & / (1.0-EXP(-1096.4/298.0)\n & - 2.0*EXP(-529.5/298.0))\n END DO\n\n DO I = 1, NW\n! compute upper limit of wavelength bins\n WU(I) = 2.0*WC(I) - WL(I)\n END DO\n\n DO I = 1, NZ\n DO IW = 1, NW\n QY1(IW) = NO3NO_QUANT_298K(IW)\n QY2(IW) = NO3NO2_QUANT_298K(IW)\n IF(TLEV(I) .LT. 298.0 .AND. TLEV(I) .GE. 230.0)THEN\n SLOPE = (NO3NO_QUANT_298K(IW)-NO3NO_QUANT_230K(IW))\n & / 68.0\n QY1(IW) = NO3NO_QUANT_230K(IW) + SLOPE*(TLEV(I)-230.0)\n SLOPE = (NO3NO2_QUANT_298K(IW)-NO3NO2_QUANT_230K(IW))\n & / 68.0\n QY2(IW) = NO3NO2_QUANT_230K(IW) + SLOPE*(TLEV(I)-230.0)\n ELSEIF(TLEV(I) .LT. 230.0 .AND. TLEV(I) .GE. 190.0)THEN\n SLOPE = (NO3NO_QUANT_230K(IW)-NO3NO_QUANT_190K(IW))\n & / 40.0\n QY1(IW) = NO3NO_QUANT_190K(IW) + SLOPE*(TLEV(I)-190.0)\n SLOPE = (NO3NO2_QUANT_230K(IW)-NO3NO2_QUANT_190K(IW))\n & / 40.0\n QY2(IW) = NO3NO2_QUANT_190K(IW) + SLOPE*(TLEV(I)-190.0)\n ELSEIF( TLEV(I) .LT. 190)THEN\n QY1(IW) = NO3NO_QUANT_190K(IW)\n QY2(IW) = NO3NO2_QUANT_190K(IW)\n ENDIF\n END DO\n\n DO IW = 1, NW ! correction factor accounts for units of interpolated data\n QYNO3_NO(IW,I) = QY1(IW)*0.001\n QYNO3_NO2(IW,I) = QY2(IW)*0.001\n END DO\n \n END DO\n\n RETURN\n END\nC\n REAL FUNCTION QY_ACETONE_OLD(TEMP, DENS_NUMB, LAMBDA)\n\n! Computes acetone quantum yields according to:\n! IUPAC (2005) recommendation based on\n! Blitz, M. A., D. E. Heard, M. J. Pilling, S. R. Arnold, and M. P. Chipperfield \n! (2004), Pressure and temperature-dependent quantum yields for the \n! photodissociation of acetone between 279 and 327.5 nm, Geophys. \n! Res. Lett., 31, L06111, doi:10.1029/2003GL018793.\n IMPLICIT NONE\n\nC inputs\n REAL TEMP ! air temperature, K\n REAL DENS_NUMB ! air number density, 1/cm^3\n REAL LAMBDA ! wavelength, nm\n! local\n REAL A0 ! 1st coef for qy\n REAL A1 ! 2nd coef for qy\n REAL A2 ! 3rd coef for qy\n REAL A3 ! 4th coef for qy\n REAL A4 ! 5th coef for qy\n\n REAL PHI_CO ! CO branch of IUPAC (2005) acetone QYZ\n REAL PHI_CH3CO ! CH3CO branch of IUPAC (2005) acetone QYZ\n REAL AA ! scratch variable for IUPAC (2005) acetone QYZ\n REAL BB ! scratch variable for IUPAC (2005) acetone QYZ\n REAL CC ! scratch variable for IUPAC (2005) acetone QYZ\n\n IF( LAMBDA .GE. 248.0 .AND. LAMBDA .LE. 349.0)THEN\n\n AA = 0.350*(TEMP/295.0)**(-1.28)\n BB = 0.068*(TEMP/295.0)**(-2.65)\n A0 = (AA / (1.0 - AA))*exp(BB*(LAMBDA-248.0))\n PHI_CO = 1.0 / (1.0 + A0)\n\n IF( LAMBDA .LE. 302.0 ) THEN\nC 248-302 nm\n AA = 1.600*1.0E-19 *(TEMP/295.0)**(-2.38)\n BB = 0.55*1.0E-03 *(TEMP/295.0)**(-3.19)\n A1 = AA*exp( -BB*((1.0E+07/LAMBDA)-33113.0) )\n PHI_CH3CO = (1.0 - PHI_CO) / (1.0 + A1*DENS_NUMB)\n\nC 302-349 nm\n ELSE\n AA = 1.62*1.0E-17 *(TEMP/295.0)**(-10.03)\n BB = 1.79*1.0E-3 *(TEMP/295.0)**(-1.364)\n A2 = AA*exp(-BB*((1.0E+07/LAMBDA) - 30488.0))\n\n AA = 26.29* (TEMP/295.0)**(-6.59)\n BB = 5.72 *1.0E-7 *(TEMP/295.0)**(-2.93)\n CC = (30006.0) *(TEMP/295.0)**(-0.064)\n A3 = AA*exp(-BB*((1.0E+07/LAMBDA) - CC)**2.0)\n\n AA = 1.67*1.0E-15 *(TEMP/295.0)**(-7.25)\n BB = 2.08*1.0E-3 *(TEMP/295.0)**(-1.16)\n A4 = AA*exp(-BB *((1.0E+07/LAMBDA) - 30488.0))\n\n PHI_CH3CO = (1.0 - PHI_CO)\n & * (1.0 + A4*DENS_NUMB + A3) \n & / ( (1.0 + A2*DENS_NUMB + A3)\n & * (1.0 + A4*DENS_NUMB) ) \n ENDIF\n\n\n QY_ACETONE_OLD = PHI_CO + PHI_CH3CO\n\n ELSEIF(LAMBDA .LT. 248.0 .AND. LAMBDA .GT. 0.0)THEN ! set QY to 1.0\n! based on IUPAC (2005) data sheet\n\n PHI_CO = 0.05\n \n PHI_CH3CO = 0.95\n\n QY_ACETONE_OLD = PHI_CO + PHI_CH3CO\n\n ELSEIF(LAMBDA .GT. 349.0)THEN\n\n QY_ACETONE_OLD = 0.0\n\n ENDIF\n\n QY_ACETONE_OLD = MAX(0.0,MIN(1.0, QY_ACETONE_OLD))\n\n\n RETURN\n END FUNCTION QY_ACETONE_OLD\n!///////////////////////////////////////////////////////////////////////\n\n REAL FUNCTION QY_ACETONE( TEMP, DENS_NUMB, LAMBDA )\n\n!-----------------------------------------------------------------------\n! Computes acetone quantum yields according to:\n! IUPAC (2005) recommendation based on\n! Blitz, M. A., D. E. Heard, M. J. Pilling, S. R. Arnold, and M. P. Chipperfield\n! (2004), Pressure and temperature-dependent quantum yields for the\n! photodissociation of acetone between 279 and 327.5 nm, Geophys.\n! Res. Lett., 31, L06111, doi:10.1029/2003GL018793.\n!-----------------------------------------------------------------------\n\n IMPLICIT NONE\n\n!***arguments\n\n REAL, INTENT(IN) :: TEMP ! air temperature, K\n REAL, INTENT(IN) :: DENS_NUMB ! air number density, 1/cm^3\n REAL, INTENT(IN) :: LAMBDA ! wavelength, nm\n\n!***local\n\n REAL :: A0 ! 1st coef for qy\n REAL :: A1 ! 2nd coef for qy\n REAL :: A2 ! 3rd coef for qy\n REAL :: A3 ! 4th coef for qy\n REAL :: A4 ! 5th coef for qy\n\n REAL :: PHI_CO ! CO branch of IUPAC (2005) acetone QYZ\n REAL :: PHI_CH3CO ! CH3CO branch of IUPAC (2005) acetone QYZ\n REAL :: AA ! scratch variable for IUPAC (2005) acetone QYZ\n REAL :: BB ! scratch variable for IUPAC (2005) acetone QYZ\n REAL :: CC ! scratch variable for IUPAC (2005) acetone QYZ\n\n REAL :: TEMP_ARGUE ! temperature over 295 K\n REAL :: INV_LAMBDA ! reciprocal of wavelength, 1.E+7/nm\n\n REAL, PARAMETER :: T295K = 295\n\n TEMP_ARGUE = T295K / TEMP\n INV_LAMBDA = 1.0E+7 / LAMBDA\n IF ( LAMBDA .GE. 248.0 .AND. LAMBDA .LE. 349.0 ) THEN\n\n AA = 0.350 * TEMP_ARGUE**(1.28)\n BB = 0.068 * TEMP_ARGUE**(2.65)\n A0 = ( AA / ( 1.0 - AA ) ) * EXP( BB * ( LAMBDA - 248.0 ) )\n PHI_CO = 1.0 / ( 1.0 + A0 )\n\n IF ( LAMBDA .LE. 302.0 ) THEN\n\n!***wavelengths 248-302 nm\n\n AA = 1.600 * 1.0E-19 * TEMP_ARGUE**(2.38)\n BB = 0.55 * 1.0E-03 * TEMP_ARGUE**(3.19)\n A1 = AA * EXP( -BB * ( INV_LAMBDA - 33113.0 ) )\n PHI_CH3CO = ( 1.0 - PHI_CO ) / ( 1.0 + A1*DENS_NUMB )\n\n!***wavelengths 302-349 nm\n\n ELSE\n\n AA = 1.62 * 1.0E-17 * TEMP_ARGUE**(10.03)\n BB = 1.79 * 1.0E-3 * TEMP_ARGUE**(1.364)\n A2 = AA * EXP( -BB * ( INV_LAMBDA - 30488.0 ) )\n\n AA = 26.29 * TEMP_ARGUE**(6.59)\n BB = 5.72 * 1.0E-7 * TEMP_ARGUE**(2.93)\n CC = 30006.0 * TEMP_ARGUE**(0.064)\n A3 = AA * EXP( -BB * (INV_LAMBDA - CC )**2.0 )\n\n AA = 1.67 * 1.0E-15 * TEMP_ARGUE**(7.25)\n BB = 2.08 * 1.0E-3 * TEMP_ARGUE**(1.16)\n A4 = AA * EXP( -BB * ( INV_LAMBDA - 30488.0 ) )\n\n PHI_CH3CO = ( 1.0 - PHI_CO )\n & * ( 1.0 + A4 * DENS_NUMB + A3 )\n & / ( ( 1.0 + A2 * DENS_NUMB + A3 )\n & * ( 1.0 + A4 * DENS_NUMB ) )\n END IF\n\n QY_ACETONE = PHI_CO + PHI_CH3CO\n\n ELSE IF ( LAMBDA .LT. 248.0 .AND. LAMBDA .GT. 0.0 ) THEN ! set QY to 1.0\n\n!***based on IUPAC (2005) data sheet\n\n PHI_CO = 0.45\n PHI_CH3CO = 0.55\n QY_ACETONE = PHI_CO + PHI_CH3CO\n\n ELSE IF ( LAMBDA .GT. 349.0 ) THEN\n\n QY_ACETONE = 0.0\n\n END IF\n\n QY_ACETONE = MAX( 0.0, MIN( 1.0, QY_ACETONE ) )\n\n RETURN\n END FUNCTION QY_ACETONE\n\n\n! This file contains subroutines used for calculation of quantum yields for \n! various photoreactions:\n! qyacet - q.y. for acetone, based on Blitz et al. (2004)\n\n!*****************************************************************************\n\n REAL FUNCTION QY_ACETONE_TUV(T, M, w)\n!-----------------------------------------------------------------------------*\n! taken from Tropospheric Ultraviolet-Visible (TUV) radiation model =*\n! Version 4.6 =*\n!-----------------------------------------------------------------------------*\n! Compute acetone quantum yields according to the parameterization of:\n! Blitz, M. A., D. E. Heard, M. J. Pilling, S. R. Arnold, and M. P. Chipperfield \n! (2004), Pressure and temperature-dependent quantum yields for the \n! photodissociation of acetone between 279 and 327.5 nm, Geophys. \n! Res. Lett., 31, L06111, doi:10.1029/2003GL018793.\n\n IMPLICIT NONE\n\n! input:\n! T = temperature, K\n! m = air number density, molec. cm-3\n! w = wavelength, nm\n\n REAL w, T, M\n\n! internal:\n\n REAL a0, a1, a2, a3, a4\n REAL b0, b1, b2, b3, b4\n REAL c3\n REAL cA0, cA1, cA2, cA3, cA4\n\n! output\n! fco = quantum yield for product CO\n! fac = quantum yield for product CH3CO (acetyl radical)\n\n REAL fco, fac\n\n!** set out-of-range values:\n! use low pressure limits for shorter wavelengths\n! set to zero beyound 327.5\n\n IF(w .LT. 279. .AND. w .GE. 1.0) THEN\n fco = 0.05\n fac = 0.95\n QY_ACETONE_TUV = MAX(0.0,MIN(1.0, fco+fac))\n RETURN\n ENDIF\n\n IF(w .GT. 327.5 .OR. w .LT. 1.0) THEN\n fco = 0.\n fac = 0.\n QY_ACETONE_TUV = MAX(0.0,MIN(1.0, fco+fac))\n RETURN\n ENDIF\n\n!** CO (carbon monoxide) quantum yields:\n\n a0 = 0.350 * (T/295.)**(-1.28)\n b0 = 0.068 * (T/295.)**(-2.65)\n cA0 = exp(b0*(w - 248.)) * a0 / (1. - a0)\n\n fco = 1. / (1 + cA0)\n\n!** CH3CO (acetyl radical) quantum yields:\n\n IF(w .GE. 279. .AND. w .LT. 302.) THEN\n\n a1 = 1.600E-19 * (T/295.)**(-2.38)\n b1 = 0.55E-3 * (T/295.)**(-3.19)\n cA1 = a1 * EXP(-b1*((1.e7/w) - 33113.))\n \n fac = (1. - fco) / (1 + cA1 * M)\n\n ENDIF\n\n IF(w .GE. 302. .AND. w .LT. 327.5) THEN\n\n a2 = 1.62E-17 * (T/295.)**(-10.03)\n b2 = 1.79E-3 * (T/295.)**(-1.364)\n cA2 = a2 * EXP(-b2*((1.e7/w) - 30488.))\n\n\n a3 = 26.29 * (T/295.)**(-6.59)\n b3 = 5.72E-7 * (T/295.)**(-2.93)\n c3 = 30006 * (T/295.)**(-0.064)\n ca3 = a3 * EXP(-b3*((1.e7/w) - c3)**2)\n\n\n a4 = 1.67E-15 * (T/295.)**(-7.25)\n b4 = 2.08E-3 * (T/295.)**(-1.16)\n cA4 = a4 * EXP(-b4*((1.e7/w) - 30488.))\n\n fac = (1. - fco) * (1. + cA3 + cA4 * M) /\n $ ((1. + cA3 + cA2 * M)*(1. + cA4 * M))\n\n ENDIF\n\n QY_ACETONE_TUV = MAX(0.0,MIN(1.0, fco+fac))\n\n RETURN\n END\n SUBROUTINE QY_ACETONE_CHANNELS( TEMP, DENS_NUMB, LAMBDA, PHI_CO, PHI_CH3CO )\n\nC-----------------------------------------------------------------------\nC Computes acetone quantum yields according to:\nC IUPAC (2013) recommendation based on\nC Blitz, M. A., D. E. Heard, M. J. Pilling, S. R. Arnold, and M. P. Chipperfield\nC (2004), Pressure and temperature-dependent quantum yields for the\nC photodissociation of acetone between 279 and 327.5 nm, Geophys.\nC Res. Lett., 31, L06111, doi:10.1029/2003GL018793.\nC-----------------------------------------------------------------------\n\n IMPLICIT NONE\n\n!***arguments\n\n REAL, INTENT(IN) :: TEMP ! air temperature, K\n REAL, INTENT(IN) :: DENS_NUMB ! air number density, 1/cm^3\n REAL, INTENT(IN) :: LAMBDA ! wavelength, nm\n REAL, INTENT(OUT) :: PHI_CO ! CO branch of IUPAC (2013) acetone QYZ\n REAL, INTENT(OUT) :: PHI_CH3CO ! CH3CO branch of IUPAC (2013) acetone QYZ\n\n!***local\n REAL, PARAMETER :: ONE_OVER_295K = 1.0 / 295.0 ! 1/K\n \n REAL A0 ! 1st coef for qy\n REAL A1 ! 2nd coef for qy\n REAL A2 ! 3rd coef for qy\n REAL A3 ! 4th coef for qy\n REAL A4 ! 5th coef for qy\n\n REAL AA ! scratch variable for IUPAC (2013) acetone QYZ\n REAL BB ! scratch variable for IUPAC (2013) acetone QYZ\n REAL CC ! scratch variable for IUPAC (2013) acetone QYZ\n \n REAL TEMP_OVER_295K ! temperature divided by 295 K\n REAL ONE_OVER_LAMBDA ! reciporcal of wavelenght, 10E7/nm or 1/cm\n\n TEMP_OVER_295K = TEMP * ONE_OVER_295K\n ONE_OVER_LAMBDA = 1.0E7 / LAMBDA\n \n IF ( LAMBDA .GE. 248.0 .AND. LAMBDA .LE. 349.0 ) THEN\n\n AA = 0.350 * ( TEMP_OVER_295K )**(-1.28)\n BB = 0.068 * ( TEMP_OVER_295K )**(-2.65)\n A0 = ( AA / ( 1.0 - AA ) ) * EXP( BB * ( LAMBDA - 248.0 ) )\n PHI_CO = 1.0 / ( 1.0 + A0 )\n\n PHI_CO = MAX( 0.0, MIN( 1.0, PHI_CO ) )\n\n IF ( LAMBDA .LE. 302.0 ) THEN\n\n!***wavelengths 248-302 nm\n\n AA = 1.600 * 1.0E-19 * ( TEMP_OVER_295K )**(-2.38)\n BB = 0.55 * 1.0E-03 * ( TEMP_OVER_295K )**(-3.19)\n A1 = AA * EXP( -BB * ( ( ONE_OVER_LAMBDA ) - 33113.0 ) )\n PHI_CH3CO = ( 1.0 - PHI_CO ) / ( 1.0 + A1*DENS_NUMB )\n\n!***wavelengths 302-349 nm\n\n ELSE\n\n AA = 1.62 * 1.0E-17 * ( TEMP_OVER_295K )**(-10.03)\n BB = 1.79 * 1.0E-3 * ( TEMP_OVER_295K )**(-1.364)\n A2 = AA * EXP( -BB * ( ( ONE_OVER_LAMBDA ) - 30488.0 ) )\n\n AA = 26.29 * ( TEMP_OVER_295K )**(-6.59)\n BB = 5.72 * 1.0E-7 * ( TEMP_OVER_295K )**(-2.93)\n CC = ( 30006.0 ) * ( TEMP_OVER_295K )**(-0.064)\n A3 = AA * EXP( -BB * ( ( ONE_OVER_LAMBDA ) - CC )**2.0 )\n\n AA = 1.67 * 1.0E-15 * ( TEMP_OVER_295K )**(-7.25)\n BB = 2.08 * 1.0E-3 * ( TEMP_OVER_295K )**(-1.16)\n A4 = AA * EXP( -BB * ( ( ONE_OVER_LAMBDA ) - 30488.0 ) )\n\n PHI_CH3CO = ( 1.0 - PHI_CO )\n & * ( 1.0 + A4 * DENS_NUMB + A3 )\n & / ( ( 1.0 + A2 * DENS_NUMB + A3 )\n & * ( 1.0 + A4 * DENS_NUMB ) )\n END IF\n\n PHI_CH3CO = MAX( 0.0, MIN( 1.0, PHI_CH3CO ) )\n\n ELSE IF ( LAMBDA .LT. 248.0 .AND. LAMBDA .GT. 0.0 ) THEN ! set QY to 1.0\n\n!***based on IUPAC (2013) data sheet\n\n PHI_CO = 0.45\n PHI_CH3CO = 0.55\n\n ELSE IF ( LAMBDA .GT. 349.0 ) THEN\n\n PHI_CO = 0.0\n PHI_CH3CO = 0.0\n\n END IF\n\n RETURN\n END SUBROUTINE QY_ACETONE_CHANNELS\n REAL FUNCTION RQY_ACETONE_CH3CO( TEMP, DENS_NUMB, LAMBDA )\n\nC-----------------------------------------------------------------------\nC Computes correction to acetone CH3CO quantum yields at (TEMP, DENS_NUMB) relative to\nC quantum yields at (TEMP, DENS_NUMB = 2.46E19) according to:\nC IUPAC (2013) recommendation based on\nC Blitz, M. A., D. E. Heard, M. J. Pilling, S. R. Arnold, and M. P. Chipperfield\nC (2004), Pressure and temperature-dependent quantum yields for the\nC photodissociation of acetone between 279 and 327.5 nm, Geophys.\nC Res. Lett., 31, L06111, doi:10.1029/2003GL018793.\nC-----------------------------------------------------------------------\n\n IMPLICIT NONE\n\n!***arguments\n\n REAL, INTENT(IN) :: TEMP ! air temperature, K\n REAL, INTENT(IN) :: DENS_NUMB ! air number density, molcules/cm^3\n REAL, INTENT(IN) :: LAMBDA ! wavelength, nm\n! INTEGER, INTENT(IN) :: ILAMBDA ! array index for wavelength\n\n!***local\n REAL, PARAMETER :: ONE_OVER_295K = 1.0 / 295.0 ! 1/K\n REAL, PARAMETER :: DENS0 = 2.46E19 ! air number at STP, molecules/cm^3 \n\n REAL A0 ! 1st coef for qy\n REAL A1 ! 2nd coef for qy\n REAL A2 ! 3rd coef for qy\n REAL A3 ! 4th coef for qy\n REAL A4 ! 5th coef for qy\n\n REAL PHI_CO ! CO qy at (TEMP, DENS_NUMB)\n REAL PHI_CH3CO ! CH3CO qy at (TEMP, DENS_NUMB)\n REAL PHI_COS ! CO qy branch at (TEMP, DENS0)\n REAL PHI_CH3COS ! inverse of CH3CO qy at (TEMP, DENS0)\n REAL AA ! scratch variable for acetone QY\n REAL BB ! scratch variable for acetone QY\n REAL CC ! scratch variable for acetone QY\n \n REAL TEMP_OVER_295K ! temperature divided by 295 K\n! REAL LAMBDA ! wavelenght, nm \n REAL ONE_OVER_LAMBDA ! wavenumber, 10E7/nm or 1/cm\n\n TEMP_OVER_295K = TEMP * ONE_OVER_295K\n\n! LAMBDA = WAVELENGTH( ILAMBDA ) \n! ONE_OVER_LAMBDA = WAVENUMBER( ILAMBDA ) \n\n ONE_OVER_LAMBDA = 1.0E7 / LAMBDA\n\n IF ( LAMBDA .GE. 248.0 .AND. LAMBDA .LE. 349.0 ) THEN\n\n IF ( LAMBDA .LE. 302.0 ) THEN\n\n!***wavelengths 248-302 nm\n\n AA = 1.60E-19 * ( TEMP_OVER_295K )**(-2.38)\n BB = 0.55E-03 * ( TEMP_OVER_295K )**(-3.19)\n A1 = AA * EXP( -BB * ( ONE_OVER_LAMBDA - 33113.0 ) )\n RQY_ACETONE_CH3CO = ( 1.0 + A1*DENS0 ) / ( 1.0 + A1*DENS_NUMB )\n\n!***wavelengths 302-349 nm\n\n ELSE\n\n AA = 1.62E-17 * ( TEMP_OVER_295K )**(-10.03)\n BB = 1.79E-03 * ( TEMP_OVER_295K )**(-1.364)\n A2 = AA * EXP( -BB * ( ONE_OVER_LAMBDA - 30488.0 ) )\n\n AA = 26.29 * ( TEMP_OVER_295K )**(-6.59)\n BB = 5.72E-7 * ( TEMP_OVER_295K )**(-2.93)\n CC = 30006.0 * ( TEMP_OVER_295K )**(-0.064)\n A3 = AA * EXP( -BB * ( ONE_OVER_LAMBDA - CC )**2.0 )\n\n AA = 1.67E-15 * ( TEMP_OVER_295K )**(-7.25)\n BB = 2.08E-03 * ( TEMP_OVER_295K )**(-1.16)\n A4 = AA * EXP( -BB * ( ONE_OVER_LAMBDA - 30488.0 ) )\n\n!***below qy_ch3co values are normalized by (1 - qy_co) which does not depend on\n!***number density\n PHI_CH3CO = ( 1.0 + A4 * DENS_NUMB + A3 ) \n & / ( ( 1.0 + A2 * DENS_NUMB + A3 ) * ( 1.0 + A4 * DENS_NUMB ) )\n\n PHI_CH3COS = ( ( 1.0 + A2 * DENS0 + A3 ) * ( 1.0 + A4 * DENS0 ) )\n & / ( 1.0 + A4 * DENS0 + A3 )\n \n RQY_ACETONE_CH3CO = PHI_CH3CO * PHI_CH3COS\n\n END IF\n\n ELSE ! set RQY to 1.0 for 248.0 > LAMBDA or LAMBDA 349.0\n\n RQY_ACETONE_CH3CO = 1.0\n\n END IF\n\n RETURN\n END FUNCTION RQY_ACETONE_CH3CO\n REAL FUNCTION RQUANTUM_ACETONE( TEMP, DENS_NUMB, LAMBDA )\n\nC-----------------------------------------------------------------------\nC Computes total acetone quantum yields at (TEMP, DENS_NUMB) relative to\nC quantum yields at (TEMP, DENS_NUMB = 2.46E19) according to\nC IUPAC (2013) recommendation based on\nC Blitz, M. A., D. E. Heard, M. J. Pilling, S. R. Arnold, and M. P. Chipperfield\nC (2004), Pressure and temperature-dependent quantum yields for the\nC photodissociation of acetone between 279 and 327.5 nm, Geophys.\nC Res. Lett., 31, L06111, doi:10.1029/2003GL018793.\nC-----------------------------------------------------------------------\n\n IMPLICIT NONE\n\n!***arguments\n\n REAL, INTENT(IN) :: TEMP ! air temperature, K\n REAL, INTENT(IN) :: DENS_NUMB ! air number density, 1/cm^3\n REAL, INTENT(IN) :: LAMBDA ! wavelength, nm\n\n!***local\n REAL, PARAMETER :: ONE_OVER_295K = 1.0 / 295.0 ! 1/K\n REAL, PARAMETER :: DENS0 = 2.46E19 ! air number at STP, molecules/cm^3 \n \n REAL A0 ! 1st coef for qy\n REAL A1 ! 2nd coef for qy\n REAL A2 ! 3rd coef for qy\n REAL A3 ! 4th coef for qy\n REAL A4 ! 5th coef for qy\n\n REAL PHI_CO ! CO branch of IUPAC (2013) acetone QYZ\n REAL DEL_PHI_CO ! one minus CO branch of IUPAC (2013) acetone QYZ\n REAL PHI_CH3CO ! CH3CO branch of IUPAC (2013) acetone QYZ\n REAL PHI_CH3CO0 ! CH3CO branch of IUPAC (2013) acetone QYZ at DENS0\n REAL AA ! scratch variable for IUPAC (2013) acetone QYZ\n REAL BB ! scratch variable for IUPAC (2013) acetone QYZ\n REAL CC ! scratch variable for IUPAC (2013) acetone QYZ\n \n REAL TEMP_OVER_295K ! temperature divided by 295 K\n REAL ONE_OVER_LAMBDA ! reciporcal of wavelenght, 10E7/nm or 1/cm\n\n TEMP_OVER_295K = TEMP * ONE_OVER_295K\n ONE_OVER_LAMBDA = 1.0E7 / LAMBDA\n \n IF ( LAMBDA .GE. 248.0 .AND. LAMBDA .LE. 349.0 ) THEN\n\n AA = 0.350 * ( TEMP_OVER_295K )**(-1.28)\n BB = 0.068 * ( TEMP_OVER_295K )**(-2.65)\n A0 = ( AA / ( 1.0 - AA ) ) * EXP( BB * ( LAMBDA - 248.0 ) )\n PHI_CO = 1.0 / ( 1.0 + A0 )\n DEL_PHI_CO = MAX(0.0, 1.0 - PHI_CO)\n\n IF ( LAMBDA .LE. 302.0 ) THEN\n\n!***wavelengths 248-302 nm\n\n AA = 1.600E-19 * ( TEMP_OVER_295K )**(-2.38)\n BB = 0.55E-03 * ( TEMP_OVER_295K )**(-3.19)\n A1 = AA * EXP( -BB * ( ( ONE_OVER_LAMBDA ) - 33113.0 ) )\n PHI_CH3CO = DEL_PHI_CO / ( 1.0 + A1*DENS_NUMB )\n PHI_CH3CO0 = DEL_PHI_CO / ( 1.0 + A1*DENS0 )\n\n!***wavelengths 302-349 nm\n\n ELSE\n\n AA = 1.62E-17 * ( TEMP_OVER_295K )**(-10.03)\n BB = 1.79E-03 * ( TEMP_OVER_295K )**(-1.364)\n A2 = AA * EXP( -BB * ( ONE_OVER_LAMBDA - 30488.0 ) )\n\n AA = 26.29 * ( TEMP_OVER_295K )**(-6.59)\n BB = 5.72E-7 * ( TEMP_OVER_295K )**(-2.93)\n CC = ( 30006.0 ) * ( TEMP_OVER_295K )**(-0.064)\n A3 = AA * EXP( -BB * ( ONE_OVER_LAMBDA - CC )**2.0 )\n\n AA = 1.67E-15 * ( TEMP_OVER_295K )**(-7.25)\n BB = 2.08E-03 * ( TEMP_OVER_295K )**(-1.16)\n A4 = AA * EXP( -BB * ( ONE_OVER_LAMBDA - 30488.0 ) )\n\n PHI_CH3CO = DEL_PHI_CO\n & * ( 1.0 + A4 * DENS_NUMB + A3 )\n & / ( ( 1.0 + A2 * DENS_NUMB + A3 )\n & * ( 1.0 + A4 * DENS_NUMB ) )\n\n PHI_CH3CO0 = DEL_PHI_CO\n & * ( 1.0 + A4 * DENS0 + A3 )\n & / ( ( 1.0 + A2 * DENS0 + A3 )\n & * ( 1.0 + A4 * DENS0 ) )\n\n END IF\n\n IF( (PHI_CO + PHI_CH3CO0) .GT. 1.0E-10 )THEN\n RQUANTUM_ACETONE = ( PHI_CO + PHI_CH3CO ) / ( PHI_CO + PHI_CH3CO0 )\n ELSE\n RQUANTUM_ACETONE = 1.0\n END IF\n\n ELSE\n\n RQUANTUM_ACETONE = 1.0\n\n END IF\n\n\n RETURN\n END FUNCTION RQUANTUM_ACETONE \n REAL FUNCTION RQY_GLYOXAL( TEMP, DENS_NUMB, LAMBDA )\n\n!-----------------------------------------------------------------------\n! Computes total glyoxal (CHOCHO) quantum yield at (TEMP, DENS_NUMB) \n! relative to total yield at (TEMP0, DENS_NUMB = 2.46E19) according to\n! IUPAC (2013) recommendation\n! http://iupac.pole-ether.fr/htdocs/datasheets/pdf/P4_%28CHO%292+hv.pdf \n! that is based on\n! Salter, R. J., Blitz, M. A., Heard, D. E., Kovacs, T., Pilling, M. J., \n! Rickard, A. R. and Seakins, P. W. (2013), Quantum yields for the photolysis \n! of glyoxal below 350 nm and parameterisations for its photolysis rate in \n! the troposphere, Phys. Chem. Chem. Phys., 15, 4984-4994, \n! doi:10.1039/c3cp43597k.\n!-----------------------------------------------------------------------\n\n IMPLICIT NONE\n\n!***arguments\n\n\n REAL, INTENT(IN) :: TEMP ! air temperature, K\n REAL, INTENT(IN) :: DENS_NUMB ! air number density, 1/cm^3\n REAL, INTENT(IN) :: LAMBDA ! wavelength, nm\n\n!***local\n REAL, PARAMETER :: ONE_OVER_295K = 1.0 / 295.0 ! 1/K\n REAL( 8 ), PARAMETER :: DENS0 = 2.46D19 ! air number at STP, molecules/cm^3 \n \n REAL( 8 ) TEMP_OVER_295K ! temperature divided by 295 K\n\n REAL( 8 ) AA ! scratch variable for qy\n REAL( 8 ) BB ! scratch variable for qy\n REAL( 8 ) A1 ! 2nd coef for qy\n REAL( 8 ) A2 ! 3rd coef for qy\n REAL( 8 ) A3 ! 4th coef for qy\n REAL( 8 ) WN_OFFSET ! adjusted wavenumber, 1/cm\n REAL( 8 ) R8_DENS ! air number density, 1/cm^3 \n\n REAL ONE_OVER_LAMBDA ! wavenumber, 10E7/nm or 1/cm\n REAL QY_DENS_NUMB ! total qy at DENS_NUMB\n REAL IQY_DENS0 ! reciporcal of total qy at DENS0\n \n TEMP_OVER_295K = REAL( TEMP * ONE_OVER_295K, 8 )\n WN_OFFSET = REAL( 1.0E7 / LAMBDA - 23800.0, 8 )\n R8_DENS = REAL( DENS_NUMB, 8 )\n\n\n IF( LAMBDA .LT. 650.0 .AND. LAMBDA .GT. 250.0 )THEN\n AA = 6.48D-19 * TEMP_OVER_295K**(-1.83D0)\n BB = 7.60D-04 * TEMP_OVER_295K**(-0.515D0)\n A1 = AA * EXP( -BB * WN_OFFSET ) \n\n AA = 1.128D02 * TEMP_OVER_295K**(-1.53D0)\n BB = 4.61D-03 * TEMP_OVER_295K**(-0.507D0)\n A2 = AA * EXP( -BB * WN_OFFSET ) \n\n AA = 2.25D-16 * TEMP_OVER_295K**(-9.18D0)\n BB = 7.80D-04 * TEMP_OVER_295K**(-7.03D0)\n A3 = AA * EXP( -BB * WN_OFFSET ) \n\n!*** note that values are normalized by total qy at DENS = 0.0 but\n! its values equals 1.0\n\n IQY_DENS0 = REAL( (1.0 + A2 + A3*DENS0 ) \n & / ((1.0 + A1*DENS0 + A2)*(1.0 + A3*DENS0)) )\n\n QY_DENS_NUMB = REAL( (1.0 + A2 + A3*R8_DENS ) \n & / ((1.0 + A1*R8_DENS + A2)*(1.0 + A3*R8_DENS)) )\n\n RQY_GLYOXAL = QY_DENS_NUMB * IQY_DENS0\n\n ELSE\n\n RQY_GLYOXAL = 1.0\n \n END IF\n! WRITE(6,'(A,4(F13.6,1X))')'TEMP, LAMBDA, RQY_GLYOXAL = ', TEMP, LAMBDA, RQY_GLYOXAL \n\n RETURN\n END FUNCTION RQY_GLYOXAL\n REAL FUNCTION QY_GLYOXAL( TEMP, DENS_NUMB, LAMBDA )\n\n!-----------------------------------------------------------------------\n! Computes total glyoxal (CHOCHO) quantum yield at (TEMP, DENS_NUMB) \n! IUPAC (2013) recommendation\n! http://iupac.pole-ether.fr/htdocs/datasheets/pdf/P4_%28CHO%292+hv.pdf \n! that is based on\n! Salter, R. J., Blitz, M. A., Heard, D. E., Kovacs, T., Pilling, M. J., \n! Rickard, A. R. and Seakins, P. W. (2013), Quantum yields for the photolysis \n! of glyoxal below 350 nm and parameterisations for its photolysis rate in \n! the troposphere, Phys. Chem. Chem. Phys., 15, 4984-4994, \n! doi:10.1039/c3cp43597k.\n!-----------------------------------------------------------------------\n\n IMPLICIT NONE\n\n!***arguments\n\n\n REAL, INTENT(IN) :: TEMP ! air temperature, K\n REAL, INTENT(IN) :: DENS_NUMB ! air number density, 1/cm^3\n REAL, INTENT(IN) :: LAMBDA ! wavelength, nm\n\n!***local\n REAL, PARAMETER :: ONE_OVER_295K = 1.0 / 295.0 ! 1/K\n \n REAL( 8 ) TEMP_OVER_295K ! temperature divided by 295 K\n\n REAL( 8 ) AA ! scratch variable for qy\n REAL( 8 ) BB ! scratch variable for qy\n REAL( 8 ) A1 ! 2nd coef for qy\n REAL( 8 ) A2 ! 3rd coef for qy\n REAL( 8 ) A3 ! 4th coef for qy\n REAL( 8 ) WN_OFFSET ! adjusted wavenumber, 1/cm\n REAL( 8 ) R8_DENS ! air number density, 1/cm^3 \n \n TEMP_OVER_295K = REAL( TEMP * ONE_OVER_295K, 8 )\n WN_OFFSET = REAL( 1.0E7 / LAMBDA - 23800.0, 8 )\n R8_DENS = REAL( DENS_NUMB, 8 )\n\n AA = 6.48D-19 * TEMP_OVER_295K**(-1.83D0)\n BB = 7.60D-04 * TEMP_OVER_295K**(-0.515D0)\n A1 = AA * EXP( -BB * WN_OFFSET ) \n\n AA = 1.128D02 * TEMP_OVER_295K**(-1.53D0)\n BB = 4.61D-03 * TEMP_OVER_295K**(-0.507D0)\n A2 = AA * EXP( -BB * WN_OFFSET ) \n\n AA = 2.25D-16 * TEMP_OVER_295K**(-9.18D0)\n BB = 7.80D-04 * TEMP_OVER_295K**(-7.03D0)\n A3 = AA * EXP( -BB * WN_OFFSET ) \n\n\n! WRITE(6,'(A,10(1X,ES12.4))')'GLYOXAL:Temp, Lambda, A1, A2, A3 = ', Temp, Lambda, \n! & A1, A2, A3\n QY_GLYOXAL = REAL( (1.0D0 + A2 + A3*R8_DENS )\n & / ((1.0D0 + A1*R8_DENS + A2) * (1.0D0 + A3*R8_DENS)) )\n\n! WRITE(6,'(A,10(1X,ES12.4))')'GLYOXAL:Temp, Lambda, A1, A2, A3 QY_GLYOXAL = ', Temp, Lambda, \n! & A1, A2, A3, QY_GLYOXAL\n\n\n\n RETURN\n END FUNCTION QY_GLYOXAL\n\n!*******************************************************************************\n" }, { "path": "UTIL/jproc/README.md", "content": "# JPROC\n\n### Description\n\nJPROC calculates clear-sky photolysis rates used by a photochemical mechanism based on their molecular absorption cross-sections and quantum yields (CSQY) as well as climatological data. Output files are ASCII look-up tables containing for the computed rates versus altitude, latitude, and hour angle from noon. The photochemical mechanism selected is determined by the build script for JPROC. Altitudes (meters), latitudes (degrees), and hour angles are hardwired in JPROC's source code.\n\nThe recommended configuration of CMAQ's CCTM does not use JPROC output but the look-up tables are required if CCTM is compiled with *ModPhot* set to phot/table.\n\n### Files, configuration, and environment variables\n\nTables 1 and 2 show the input and output files for JPROC. Some options are invoked at compilation, while others are invoked with execution of the program. When compiling JPROC, the user specifies a chemical mechanism to indicate the gas-phase chemistry for which to calculate photolysis rates. Setting the *Mechanism* variable in the JPROC compile script configures the program to use a specific set RXNS_DATA_MODULE.F90 file to build an executable so the executable is hard-wired to a specific mechanism configuration.\n\nSeveral required and optional input files are used the JPROC. For the selected photochemical mechanism, the user must provide a set of data file containing molecular absorption and yield data files for photolysis reactions used by the photochemical mechanism. CMAQ is distributed with a full set of CSQY files for the Carbon Bond, SAPRC, and RACM photochemical mechanism versions supported by the model. If a user develops new mechanism with new photolysis rates, they must produce the appropriate CSQY data files for each rate. The user also has the option of using the default atmospheric profiles contained in the PROFILES input file or using Total Ozone Mapping Spectrometer (TOMS) data to replace the climatologically derived ozone column data in the PROFILES file.\n\n**Table 1. JPROC input files**\n\n|**File Name**|**Format**|**Description**|\n|---------|--------|----------------------------------------------------------------------|\n|ET|ASCII|Extraterrestrial radiation as a function of wavelength|\n|PROFILES|ASCII|Seasonal vertical profiles of ozone concentrations, aerosol attenuation, temperature, air density and Dobson values|\n|TOMS|ASCII|Total ozone column measurements from satellite (optional input file(s))|\n|O2ABS|ASCII|Absorption CSQY data for molecular oxygen as a function of wavelength|\n|O3ABS|ASCII|Absorption CSQY data for ozone as a function of wavelength|\n|CSQY|ASCII (directory path)|Directory path containing absorption CSQY data for gas-phase photolysis reactions as a function of wavelength|\n\n**Table 2. JPROC output files**\n\n|**File Name**|**Format**|**Description**|\n|---------------|--------|----------------------------------------------------------------|\n|`JTABLE_$Date`|`ASCII`|Daily clear-sky photolysis rates file|\n\nThe location of the JPROC output files is controlled by the `OUTDIR` variable in the run script. The default name for output files uses the Date environment variable in the file name aliased to the `STDATE` environment variable in the run script.\n\n#### Key Build Script Variables\n\nThe configuration options are listed below. The build script set their values for compiling a JPROC executable that is fixed to the specified configuration. To change these options it is necessary to re-run the build script for a new executable.\n\n- `CopySrc` \n Uncomment to copy the source code into a working build (BLD) directory. If commented, only the compiled object and executable files will be placed in the BLD directory.\n- `MakefileOnly`\n Uncomment to build a Makefile to compile the executable. Comment out to create a Makefile and compile.\n- `Mechanism: [default: None]` \n Determines the path to FORTRAN data module for the photochemistry mechanism based on its full name. The possible choices are subdirectories under the `$CMAQ_HOME/CCTM/src/MECHS` directory. If the application is using a new mechanism, the user defines the Mechanism and its location. \n- `Tracer [default trac0] ` \n Specifies tracer species. Invoking inert tracer species in CMAQ requires defining the tracers using namelist files and compiling the CMAQ programs with these files. The setting for this module corresponds to the directory name in the `$CMAQ_HOME/CCTM/src/MECHS` directory that contains the namelist files for the tracer configuration. The default setting does not use any tracers.\n\n#### Key Run Script Variables\n\nThe environment variables listed here are invoked during execution of the program and are set in the JPROC run script.\n\n- `APPL [default: None]` \n JPROC executable identifier. Must match APPL Variable setting in the JRPOC build script.\n- `CFG [default: None]` \n Configuration identifier for the JPROC simulation.\n- `MECH [default: None]` \n CMAQ chemical mechanism. Must match Mechanism variable setting in the JPROC build script.\n- `EXEC: [default: JPROC_${APPL}_${EXEC_ID}]` \n Executable to use for the simulation. The variable CFG is set in the JPROC run script. The variable EXEC_ID is set in the config_cmaq.csh configuration file.\n- `STDATE` \n Start Julian date (YYYYDDD) for computing clear sky photolysis rates.\n- `ENDATE` \n End Julian date (YYYYDDD) for computing clear sky photolysis rates.\n\n### Compiling and Running\n\n#### Building JPROC \n\nFollow the below steps for compiling JPROC. The process requires the bldmake utility. Check the bldmake README on compiling it if an executable does not exist.\n\n1. Configure the JPROC build script to use the config_cmaq.csh script, which points to the available I/O API and netCDF libraries.\n2. Configure the JPROC build script for your application by setting the compilation configuration variables described above.\n3. Invoke the build script to create an executable:\n\n```\ncd $CMAQ_HOME/UTIL/jproc/scripts\n./bldit_jproc.csh [compiler] [version] |& tee build_jproc.log\n```\n\n#### Running JPROC ####\n\nSet the run script settings according to the execution configuration variables described above. Run JPROC to produce offline clear-sky photolysis rates for the CCTM:\n\n```\ncd $CMAQ_HOME/UTIL/jproc/scripts\n./run_jproc.csh |& tee run_jproc.log\n```\n\n" }, { "path": "UTIL/jproc/scripts/bldit_jproc.csh", "content": "#!/bin/csh -f\n\n# ====================== JPROCv5.5 Build Script ===================== \n# Usage: bldit_jproc.csh >&! bldit.jproc.log \n# Requirements: I/O API & netCDF libraries; a Fortran compiler\n#\n# To report problems or request help with this script/program: \n# http://www.cmascenter.org\n# =================================================================== \n\n if ( $#argv == 1 ) then\n setenv compiler $argv[1]\n setenv compilerVrsn Empty\n else if ( $#argv == 2 ) then\n #> Compiler Name and Version have been provided\n setenv compiler $1\n setenv compilerVrsn $2\n else\n echo \"usage: $0 \"\n echo \" where is intel, pgi or gcc\"\n exit(2)\n endif\n\n#> Source the config.cmaq file.csh to set the build environment\n set Base = $cwd #> working directory for compiling the source code\n cd ../../../\n source config_cmaq.csh\n\n#:#:#:#:#:#:#:#:#:#:#:# Begin User Input Section #:#:#:#:#:#:#:#:#:#:#:#\n\n#> Source Code Repository \n set MODEL = $CMAQ_REPO/UTIL/jproc/src #> location of the JPROC source code\n setenv REPOROOT $MODEL\n set GlobInc = $CMAQ_REPO/CCTM/src/ICL #> location of the global include files\n set Mechs = $CMAQ_REPO/CCTM/src/MECHS #> location of the chemistry mechanism include files\n\n#> Working directory and application IDs\n set VSRN = v55 #> model configuration ID\n setenv Vrsn ${VSRN}\n\n#> Controls for managing the source code compilation\n set CopySrc #> copy the source files into a working irectory\n#set MakeFileOnly #> uncomment to build a Makefile, but do not compile; comment out to compile the model (default if not set)\n set CompileBLDMAKE #> Recompile the BLDMAKE utility from source\n#set Debug #> compile with debug flags\n\n#======================================#>\n#> JPROC Science Modules\n#======================================#>\n#> NOTE: For the modules with multiple options, a note is provided on where to look in the\n#> source code archive for a list of the possible settings; users may also refer to the CMAQ documentation\n\n set ModCommon = common\n set Mechanism = cb6r3_ae7_aq #> chemical mechanism (see $CMAQ_REPO/CCTM/MECHS)\n#set Mechanism = saprc07tic_ae7i_aq #> chemical mechanism (see $CMAQ_REPO/CCTM/MECHS)\n set Tracer = trac0 #> tracer configuration directory under $CMAQ_REPO/CCTM/MECHS [ default: no tracer species \n set APPL = ${VSRN}_${Mechanism}\n set EXEC = JPROC_${APPL}_${compiler}${compilerVrsn} #> executable name\n set CFG = cfg.$EXEC #> configuration file name\n\n echo $CFG \n#======================================#>\n#> Computing System Configuration:\n#> Most of these settings are done in config.cmaq\n#======================================#>\n\n set FC = ${myFC} #> path of Fortan compiler; set in config.cmaq\n set FP = $FC #> path of Fortan preprocessor; set in config.cmaq\n\n \n set Blder = \"${CMAQ_HOME}/../../bldmake/bldmake_${compiler}${compilerVrsn}.exe \" #> location of model builder executable\n setenv BLDER ${Blder}\n\n#> Set compiler flags\n set xLib_Base = \" \" # ${CMAQ_LIB}\n set xLib_1 = \" \" # ioapi/lib\n set xLib_2 = \" \" # ioapi/include_files\n set xLib_4 = \" \" # ioapi/lib\n set FSTD = \"${myFSTD} -I .\"\n set DBG = \"${myDBG}\"\n set F_FLAGS = \"${myFFLAGS}\"\n set F90_FLAGS = \"${myFRFLAGS}\"\n set CPP_FLAGS = \"\"\n set C_FLAGS = \"${myCFLAGS} -DFLDMN\"\n set LINK_FLAGS = \"${myLINK_FLAG}\"\n\n echo $CFG\n#:#:#:#:#:#:#:#:#:#:#:# End of User Input Section :#:#:#:#:#:#:#:#:#:#:#:#:#\n\n#> Check for CMAQ_REPO and CMAQ_LIB settings:\n if ( ! -e $CMAQ_REPO || ! -e $CMAQ_LIB ) then\n echo \" CMAQ_REPO or CMAQ_LIB directory not found\"\n exit 1\n endif\n echo \" Model repository base path: $CMAQ_REPO\"\n echo \" library path: $CMAQ_LIB\"\n \n set BLD_OS = `uname -s` ## Script set up for Linux only \n if ($BLD_OS != 'Linux') then\n echo \" $BLD_OS -> wrong bldit script for host!\"\n exit 1\n endif\n\n#> The \"BLD\" directory for checking out and compiling source code\n set Bld = $Base/BLD_${VSRN}_${Mechanism}_${compiler}${compilerVrsn}\n if ( ! -e \"$Bld\" ) then\n mkdir $Bld\n else\n if ( ! -d \"$Bld\" ) then\n echo \" *** target exists, but not a directory ***\"\n exit 1\n endif\n endif\n \\cp -f $GlobInc/fixed/const/CONST.EXT ${Bld}/.\n\n set LIB1 = \" \" # \"$ioapi_lib\"\n set LIB2 = \" \" # \"$netcdf_lib\"\n set LIB3 = \" \" # \"$netcdff_lib\"\n\n set ICL_CONST = $Bld\n\n#> make the config file\n\n echo $CFG\n set Cfile = ${Bld}/${CFG}.bld\n set quote = '\"'\n\n echo > $Cfile\n echo \"model $EXEC;\" >> $Cfile\n echo >> $Cfile\n echo \"repo $MODEL;\" >> $Cfile\n echo >> $Cfile\n echo \"mechanism $Mechanism;\" >> $Cfile\n echo >> $Cfile\n echo \"lib_base $xLib_Base;\" >> $Cfile\n echo >> $Cfile\n echo \"lib_1 $xLib_1;\" >> $Cfile\n echo >> $Cfile\n echo \"lib_2 $xLib_2;\" >> $Cfile\n echo >> $Cfile\n echo \"lib_4 $xLib_4;\" >> $Cfile\n echo >> $Cfile\n set text = \"$quote$CPP_FLAGS$quote;\"\n echo \"cpp_flags $text\" >> $Cfile\n echo >> $Cfile\n echo \"f_compiler $FC;\" >> $Cfile\n echo >> $Cfile\n echo \"fstd $quote$FSTD$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"dbg $quote$DBG$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"f_flags $quote$F_FLAGS$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"f90_flags $quote$F90_FLAGS$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"link_flags $quote$LINK_FLAGS$quote;\" >> $Cfile\n echo >> $Cfile\n #echo \"libraries $quote$LIBS$quote;\" >> $Cfile\n echo \"ioapi $quote$LIB1$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"netcdf $quote$LIB2$quote;\" >> $Cfile\n echo >> $Cfile\n echo \"netcdff $quote$LIB3$quote;\" >> $Cfile\n echo >> $Cfile\n\n set text=\"// mechanism:\"\n echo \"$text ${Mechanism}\" >> $Cfile\n echo \"// model repository: ${REPOROOT}\" >> $Cfile\n echo >> $Cfile\n echo \"include SUBST_CONST CONST.EXT;\" >> $Cfile\n\n set text = \"common\"\n echo \"// required\" $text >> $Cfile\n echo \"Module ${ModCommon};\" >> $Cfile\n echo >> $Cfile\n\n\n# set text = \"jproc_table\"\n# echo \"// options are\" $text >> $Cfile\n# echo \"Module ${ModDriver};\" >> $Cfile\n# echo >> $Cfile\n\n set ModMisc = $Mechs/$Mechanism/RXNS_DATA_MODULE.F90\n# \\cp -f $ModMisc ${MODEL}/common\n if ( $?ModMisc ) then\n echo \"MISC ${ModMisc};\" >> $Cfile\n echo >> $Cfile\n endif\n\nset Blder = \"${CMAQ_HOME}/UTIL/bldmake/bldmake_${compiler}${compilerVrsn}.exe \" #> location of model builder executable\n#> Recompile BLDMAKE from source if requested or if it does not exist\nif ( $?CompileBLDMAKE || ! ( -f $Blder ) ) then \n\n cd ${CMAQ_REPO}/UTIL/bldmake/scripts\n ./bldit_bldmake.csh\n\nendif\n\ncd $Bld\n\n#> make the Makefile or the model executable\n\n unalias mv rm\n if ( -e $Bld/Makefile.$compiler$Vrsn || -e $Bld/Makefile ) then\n rm $Bld/Makefile\n rm $Bld/Makefile.$compiler$Vrsn\n endif\n\n if ( $?Debug ) then\n set bld_flags = \"-serial -verbose -debug_cctm\"\n else\n set bld_flags = \"-serial -verbose\"\n endif\n\n if ( $?MakeFileOnly ) then\n if ( $?CopySrc ) then\n $Blder -makefo ${bld_flags} $Cfile\n else\n $Blder -makefo -git_local ${bld_flags} $Cfile \n endif\n else # also compile the model\n if ( $?CopySrc ) then\n $Blder ${bld_flags} $Cfile\n else\n $Blder -git_local ${bld_flags} $Cfile\n endif\n endif\n mv Makefile $Bld/Makefile.$compiler${compilerVrsn}\n ln -sf ./Makefile.$compiler${compilerVrsn} Makefile\n \n#create make.it script that compiles JPROC without having to source config_cmaq.csh\n\n set make_it = \"make.it\"\n echo \"#! /bin/csh -f\" >! ${make_it}\n echo \" \" >> ${make_it}\n echo \"source ../../../../config_cmaq.csh \"${compiler}\" \"${compilerVrsn} >> ${make_it}\n echo 'if ( $#argv == 1 )then' >> ${make_it}\n echo ' if ( $1 == \"clean\" )make clean' >> ${make_it}\n echo \"endif\" >> ${make_it}\n echo \"make\" >> ${make_it}\n echo \"unsetenv compiler\" >> ${make_it}\n echo \"unsetenv compilerVrsn\" >> ${make_it}\n echo 'exit()' >> ${make_it}\n chmod +x ${make_it}\n\n if ( $status != 0 ) then\n echo \" *** failure in $Blder ***\"\n exit 1\n endif\nif ( -e \"$Base/${CFG}\" ) then\n echo \" >>> previous ${CFG} exists, deleting ${CFG}.old <<<\"\n rm $Base/${CFG} \nendif\n#mv ${CFG}.bld $Bld/${CFG}\n\n#:#:#:#:#:#:#:#:#:#:#:#:#:#:#:#:#:#:#:#:#:#:#:#:#:#:#:#:#:#:#:#:#:#:#:#:#:#\n exit\n" }, { "path": "UTIL/jproc/scripts/run_jproc.csh", "content": "#!/bin/csh -f\n\n# ====================== JPROCv5.5 Run Script ======================= \n# Usage: run_jproc.csh >&! jproc_V5.log & \n#\n# To report problems or request help with this script/program: \n# http://www.cmascenter.org\n# =================================================================== \n\n if ( $#argv == 1 ) then\n setenv compiler $argv[1]\n setenv compilerVrsn Empty\n else if ( $#argv == 2 ) then\n #> Compiler Name and Version have been provided\n setenv compiler $1\n setenv compilerVrsn $2\n else\n echo \"usage: $0 \"\n echo \" where is intel, pgi or gcc\"\n exit(2)\n endif\n\n#> Source the config.cmaq file.csh to set the build environment\n source ../../../config_cmaq.csh\n\n\n#> Check that CMAQ_REPO is set: \n if ( ! -e $CMAQ_REPO ) then\n echo \" $CMAQ_REPO path does not exist\"\n exit 1\n endif\n echo \" \"; echo \" Input data path, CMAQ_REPO set to $CMAQ_REPO\"; echo \" \"\n\n set VRSN = v55 \n set MECH = cb6r5_ae7_aq \n#set MECH = saprc07tic_ae7i_aq \n set APPL = ${VRSN}_${MECH}\n set EXEC = JPROC_${APPL}_${compiler}${compilerVrsn} #> executable name\n set CFG = cfg.$EXEC #> configuration file name\n\n\n#> Set the working directory:\n set BASE = $cwd\n set BLD = ${BASE}/BLD_${APPL}_${compiler}${compilerVrsn}\n\n cd $BASE; date; set timestamp; cat $BASE/cfg.${CFG}; echo \" \"; set echo\n\n#> JPROC run dates (produces one file per day)\n\n set STDATE = 2016182 #> the beginning day for this run\n set ENDATE = 2016182 #> the ending day\n\n# =====================================================================\n#> Input/Output Directories\n# =====================================================================\n\n set CMAQ_DATA = ${CMAQ_REPO}/UTIL/inline_phot_preproc/photolysis_CSQY_data\n set CSQYpath = $CMAQ_DATA # CSQY input data\n set PROFpath = $CMAQ_DATA # PROF input data\n set ETpath = $CMAQ_DATA # ET input data\n set TOMSpath = $CMAQ_DATA # TOMS input data\n set OUTDIR = $BASE/jtable_${APPL}_${MECH} # Output directory\n\n# =====================================================================\n#> Input Files\n# =====================================================================\n\n set ETfile = ETirradiance.dat\n set PROFfile = PROFILES.dat\n set O2ABSfile = O2_JPL06-2\n set O3ABSfile = O3O1D_JPL06-2\n set TOMSfile = not_available\n\n#>- - - - - - - - - - - - - - - - - - - - - - - - - - - - - -\n\n setenv ET $ETpath/$ETfile\n setenv PROFILES $PROFpath/$PROFfile\n setenv TOMS $TOMSpath/$TOMSfile\n setenv O2ABS $CSQYpath/$O2ABSfile\n setenv O3ABS $CSQYpath/$O3ABSfile\n setenv CSQY $CSQYpath\n\n# check ET input file\n\n if (! ( -e $ET ) ) then\n echo \" $ET not found \"\n exit\n endif\n\n# check profile input file\n\n if (! ( -e $PROFILES ) ) then\n echo \" $PROFILES not found \"\n exit\n endif\n\n# check TOMS input file\n\n setenv JPROC_TOMSEXIST N # Assume TOMS data file does not exist for this run\n if ( -e $TOMS ) then\n setenv JPROC_TOMSEXIST Y\n endif\n\n# check O2 absorption input file\n\n if (! ( -e $O2ABS ) ) then\n echo \" $O2ABS not found \"\n exit\n endif\n\n# check O3 absorption input file\n\n if (! ( -e $O3ABS ) ) then\n echo \" $O3ABS not found \"\n exit\n endif\n\n if ( ! -d \"$OUTDIR\" ) mkdir -p $OUTDIR\n\n ls -l $BLD/$EXEC\n unlimit\n limit\n\n unalias rm\n \n @ Date = $STDATE\n while ( $Date <= $ENDATE ) # Loop thru all the days to run\n setenv JPROC_STDATE $Date\n echo \" Running for $Date ...\"\n set JVfile = JTABLE_${Date} # Daily output file name\n setenv JVALUES $OUTDIR/$JVfile\n if ( -e $JVALUES ) rm $JVALUES # Remove existing output file\n\n# Executable call:\n time $BLD/$EXEC\n @ Date = $Date + 1\n end\n\n exit() \n" }, { "path": "UTIL/jproc/src/common/JVALPARMS.EXT", "content": "\n!-----------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies!\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!-----------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/JPROC/src/driver/jproc_table/JVALPARMS.EXT,v 1.7 2011/10/29 01:03:52 sjr Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC %W% %P% %G% %U%\n\nC jvalparms: COMMON INCLUDE File -------\nC The following are reserved symbols declared in this INCLUDE file:\n\nC...........PARAMETERS and their descriptions\nC MXWL = maximum number of wavelength bands to process\nc MXWLIN = maximum number of wavelength bands on input files\nC NJ = maximum number of vertical levels\nC MXLEV = maximum number of vertical levels\n\n INTEGER, PARAMETER :: MXWL = 200\n INTEGER, PARAMETER :: MXWLIN = 600\n INTEGER, PARAMETER :: NJ = 200\n INTEGER, PARAMETER :: MXLEV = 51\n\nC End of jvalparms COMMON INCLUDE File ----------\n" }, { "path": "UTIL/jproc/src/common/calczen.F", "content": "\n!-----------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies!\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!-----------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/JPROC/src/driver/jproc_table/calczen.F,v 1.5 2011/10/29 01:03:52 sjr Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC @(#)calczen.F\t1.2 /project/mod3/JPROC/src/driver/jproc_table/SCCS/s.calczen.F 04 Jun 1997 10:48:01\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE CALCZEN ( LAT, LONG, IDATE, GMT, ZENITH )\n \nC*********************************************************************\nC\nC this subroutine calculates solar zenith angle for a\nC particulat time and location. Must specify:\nC INPUT:\nc LAT - latitude in decimal degrees\nC LONG - longitude in decimal degrees\nC IDATE - Date at Greenwich - specify year (yyyy), month (mm),\nC day format is six-digit integer: yyyymmdd\nC GMT - Greenwich mean time - decimal military eg.\nC 22.75 = 45 min after ten pm gmt\nC OUTPUT\nC Zenith\nC\nC*********************************************************************\n\n IMPLICIT NONE\n\n INCLUDE SUBST_CONST ! commonly used constants\n\nC...........ARGUMENTS and their descriptions:\n\n INTEGER IDATE ! date (yyyymmdd)\n\n REAL LAT ! latitude (decimal degrees)\n REAL LONG ! longitude (decimal degrees)\n REAL GMT ! Greenwich mean time (dec.milt)\n REAL ZENITH ! zenith angle (degrees)\n \nC...........LOCAL VARIABLES and their descriptions:\n\n INTEGER IMN( 12 ) ! number of days in each month\n DATA IMN /31, 28, 31, 30, 31, 30, 31, 31, 30, 31, 30, 31/\n SAVE IMN\n\n INTEGER IIYEAR ! year (yyyy)\n INTEGER LEAP ! # leap years since 1974\n INTEGER NYEARS ! years since 1974\n INTEGER NOLEAP ! # nonleap years since 1974\n INTEGER IJD ! julian days (ddd)\n INTEGER IN ! month pointer (mm-1)\n INTEGER IMTH ! month (mm)\n INTEGER I ! month index\n INTEGER IDAY ! day (dd)\n INTEGER JD ! julian days since 1974 ref\n \n REAL LBGMT ! \n REAL LZGMT ! \n REAL ML ! geometric mean longitude (deg)\n REAL RLT ! latitude (radians)\n REAL YREF ! number of days to 1974\n REAL YR ! number of days to yyyy\n REAL D ! jul. days since 1974 + hh frac\n REAL RML ! geometric mean long (rad)\n REAL W ! mean longitude of perigee (deg)\n REAL EC ! eccentricity \n REAL EPSI ! mean obliquity of ecliptic (deg)\n REAL YT ! tan**2 (mean obl. of eclipt.)\n REAL PEPSI ! mean obliquity of ecliptic (rad)\n REAL CW ! cosine mean long. perigee\n REAL WR ! mean longitude of perigee (rad)\n REAL SW ! sine mean long. perigee\n REAL SSW ! sine 2*mean long. perigee\n REAL EYT !\n REAL FEQT !\n REAL FEQT1 !\n REAL FEQT2 !\n REAL FEQT3 !\n REAL FEQT4 !\n REAL FEQT5 !\n REAL FEQT6 !\n REAL FEQT7 !\n REAL REQT !\n REAL EQT !\n REAL RA ! right ascension (degrees)\n REAL TAB !\n REAL RRA ! right ascension (radians)\n REAL RDECL ! declination angle (rad)\n REAL CSZ ! cosine (zenith angle)\n REAL ZPT ! \n REAL ZR ! zenith angle (radians)\n \nC*********************************************************************\nC begin body of subroutine CALZEN2 \n\nC...convert to radians\n\n RLT = LAT * PI180\n\nC...parse date\n\n IIYEAR = IDATE / 10000\n IMTH = ( IDATE - IIYEAR * 10000 ) / 100\n IDAY = IDATE - IIYEAR * 10000 - IMTH * 100\n\nC...identify and correct leap years\n\n IF ( MOD( IIYEAR, 4 ) .EQ. 0 ) THEN\n IMN( 2 ) = 29\n ELSE\n IMN( 2 ) = 28\n END IF\n\nC...count days from Dec.31,1973 to Jan 1, YEAR, then add to 2,442,047.5\n\n YREF = 2442047.5\n NYEARS = IIYEAR - 1974\n LEAP = ( NYEARS + 1 ) / 4\n IF ( NYEARS .LE. -1 ) LEAP = ( NYEARS - 2 ) / 4\n NOLEAP = NYEARS - LEAP\n YR = YREF + 365.0 * NOLEAP + 366.0 * LEAP\n\n IJD = 0\n IN = IMTH - 1\n \n IF ( IN .EQ. 0 ) THEN\n IJD = IDAY\n ELSE IF ( IN .GT. 0 ) THEN \n DO 101 I = 1, IN\n IJD = IJD + IMN( I )\n101 CONTINUE\n IJD = IJD + IDAY\n END IF\n\nC...print julian days current \"ijd\"\n\n JD = IJD + ( YR - YREF )\n D = JD + GMT / 24.0\n\nC...calc geom mean longitude\n\n ML = 279.2801988 + 0.9856473354 * D + 2.267E-13 * D * D\n RML = ML * PI180\n\nC...calc equation of time in sec\nC... w = mean long of perigee\nC... e = eccentricity\nC... epsi = mean obliquity of ecliptic\n\n W = 282.4932328 + 4.70684E-5 * D + 3.39E-13 * D * D\n WR = W * PI180\n EC = 1.6720041E-2 - 1.1444E-9 * D - 9.4E-17 * D * D\n EPSI = 23.44266511 - 3.5626E-7 * D - 1.23E-15 * D * D\n PEPSI = EPSI * PI180\n YT = ( TAN( PEPSI / 2.0 ) )**2\n CW = COS( WR )\n SW = SIN( WR )\n SSW = SIN( 2.0 * WR )\n EYT = 2.0 * EC * YT\n FEQT1 = SIN( RML ) * ( -EYT * CW - 2.0 * EC * CW )\n FEQT2 = COS( RML ) * ( 2.0 * EC * SW - EYT * SW )\n FEQT3 = SIN( 2.0 * RML ) * ( YT - ( 5.0 * EC**2 / 4.0 ) \n & * ( CW**2 - SW**2 ) )\n FEQT4 = COS( 2.0 * RML ) * ( 5.0 * EC**2 * SSW / 4.0 )\n FEQT5 = SIN( 3.0 * RML ) * ( EYT * CW )\n FEQT6 = COS( 3.0 * RML ) * ( -EYT * SW )\n FEQT7 = -SIN( 4.0 * RML ) * ( 0.5 * YT**2 )\n FEQT = FEQT1 + FEQT2 + FEQT3 + FEQT4 + FEQT5 + FEQT6 + FEQT7\n EQT = FEQT * 13751.0\n\nC...convert eq of time from sec to deg\n\n REQT = EQT / 240.0\n\nC...calc right ascension in rads\n\n RA = ML - REQT\n RRA = RA * PI180\n\nC...calc declination in rads, deg\n\n TAB = 0.43360 * SIN( RRA )\n RDECL = ATAN( TAB )\n\nC...calc local hour angle\n\n LBGMT = 12.0 - EQT / 3600.0 + LONG * 24.0 / 360.0\n LZGMT = 15.0 * ( GMT - LBGMT )\n ZPT = LZGMT * PI180\n CSZ = SIN( RLT ) * SIN( RDECL ) + COS( RLT ) * COS( RDECL )\n & * COS( ZPT )\n ZR = ACOS( CSZ )\n ZENITH = ZR / PI180\n \n RETURN\n END\n" }, { "path": "UTIL/jproc/src/common/chj.f", "content": "\n!-----------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies!\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!-----------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/JPROC/src/driver/jproc_table/chj.f,v 1.5 2011/10/29 01:03:52 sjr Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC @(#)chj.F\t1.1 /project/mod3/JPROC/src/driver/jproc_table/SCCS/s.chj.F 23 May 1997 12:44:16\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n FUNCTION CHJ ( ZETA )\n \nC**********************************************************************\nC\nC Chapman function is used when the solar zenith angle exceeds\nC 75 deg., this is the updated RADM2 version (VERSION 89137)\nC interpolates between values given in, e.g., McCartney (1976).\nC\nC Edit history:\nC\nC 04/08/96 - Moved mods from Sasha's new code to this routine\nC 01/03/95 - Function has been completely rewritten for -SF-\nC readability and efficiency\nC\nC*********************************************************************\n\n IMPLICIT NONE\n\nC.......ARGUMENTS and descriptions\n\n REAL ZETA ! zenith angle (deg)\n REAL CHJ ! chapman function\n\nC.......LOCAL VARIABLES and descriptions\n \n INTEGER I ! angle loop index\n \n REAL RM ! zenith angle rounded up (deg)\n \n REAL Y( 21 ) ! \n DATA Y / 3.800, 4.055, 4.348, 4.687, 5.083, \n & 5.551, 6.113, 6.799, 7.650, 8.732,\n & 10.144, 12.051, 14.730, 18.686, 24.905,\n & 35.466, 55.211, 96.753, 197.000, 485.000,\n & 1476.000/\n SAVE Y\n\nC*********************************************************************\nC.......begin body of function CHJ\n\n I = MAX( INT( ZETA ) + 1, 75 )\n RM = FLOAT( I )\n\n CHJ = Y( I - 75 ) +\n & ( Y( I - 74 ) - Y( I - 75 ) ) * ( ZETA - ( RM - 1.0 ) )\n\n RETURN\n END\n" }, { "path": "UTIL/jproc/src/common/index2.f", "content": "\n!-----------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies!\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!-----------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/JPROC/src/driver/jproc_table/index2.f,v 1.4 2011/10/29 01:03:53 sjr Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC @(#)index2.F\t1.1 /project/mod3/JPROC/src/driver/jproc_table/SCCS/s.index2.F 23 May 1997 12:44:17\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n INTEGER FUNCTION INDEX2 (NAME1, N, NAME2) \n\nC***********************************************************************\nC\nC FUNCTION:\nC\nC This routine searches for NAME1 in list NAME2 \nC\nC REVISION HISTORY:\nC\nC 5/88 Modified for ROMNET\nC\nC ARGUMENT LIST DESCRIPTION:\nC\nC Input arguments:\nC\nC NAME1 Character string being searched for\nC N Length of array to be searched\nC NAME2 Character array to be searched\nC\nC Output arguments:\nC\nC INDEX1 The position within the NAME2 array that NAME1 \nC found. If string was not found, INDEX1 = 0\nC\nC LOCAL VARIABLE DESCRIPTION:\nC\nC None\nC\nC***********************************************************************\n\n IMPLICIT NONE\n\n INTEGER N\n INTEGER I\n\n CHARACTER*(*) NAME1\n CHARACTER*(*) NAME2(*) \n\nC...Assume NAME1 is not in list NAME2 \n\n INDEX2 = 0\n\n DO I = 1, N\n IF ( INDEX( NAME2( I ), NAME1 ) .EQ. 1 ) THEN\n INDEX2 = I\n RETURN \n ENDIF\n END DO \n\n RETURN\n END \n" }, { "path": "UTIL/jproc/src/common/intavg.f", "content": "\n!-----------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies!\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!-----------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/JPROC/src/driver/jproc_table/intavg.f,v 1.5 2011/10/29 01:03:53 sjr Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC @(#)intavg.F\t1.1 /project/mod3/JPROC/src/driver/jproc_table/SCCS/s.intavg.F 23 May 1997 12:44:18\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE INTAVG ( WLIN, CQIN, NWLIN, TYPE,\n & WLOUT1, WLOUT2, CQOUT, NWLOUT )\n \nC*********************************************************************\nC\nC This program computes the integrated average data for the ET\nC extra terrestrial irradiance wavelength intervals\nC\nC History:\nC S.Roselle 6/05/95 Program created\nC S.Roselle 7/25/96 Revised subroutine to compute interval\nC average quantities for point, centered,\nC beginning, and ending data\nC\nC*********************************************************************\n\n IMPLICIT NONE \n \n INCLUDE 'JVALPARMS.EXT' ! jproc parameters\n\nC...........ARGUMENTS and their descriptions\n\n CHARACTER(1) :: TYPE ! spectra type\n\n INTEGER NWLOUT ! number of intervals ETin\n INTEGER NWLIN ! number of intervals CQin\n\n REAL WLIN ( MXWLIN ) ! wl for CQin\n REAL WLIN1( MXWLIN ) ! lower limit on wl int CQin\n REAL WLIN2( MXWLIN ) ! upper limit on wl int CQin\n REAL CQIN( MXWLIN ) ! quantity (CS or QY) as f(WLIN)\n REAL WLOUT1( MXWL ) ! lower limit on wl int ETin\n REAL WLOUT2( MXWL ) ! upper limit on wl int ETin\n REAL CQOUT ( MXWL ) ! quantity (CS or QY) as f(WLOUT)\n\nC...........LOCAL VARIABLES and their descriptions:\n \n CHARACTER(16) :: PNAME = 'INTAVG' ! program name\n CHARACTER(80) :: MSG = ' ' ! message\n\n INTEGER I ! index var\n INTEGER J ! index var\n INTEGER MXWLPT ! pointer\n INTEGER MNWLPT ! pointer\n \n REAL DWLIN ! wl int for CQin\n REAL CQA ! lower cq value\n REAL CQB ! upper cq value\n \nC*********************************************************************\nC...begin body of subroutine INTAVG\n\nC...process point data\n\n IF ( TYPE .EQ. 'P' ) THEN\n\nC...transform the data to the same wavelength intervals as\nC... the irradiance data.\n\nC...loop through wavelength intervals for output arrays\n\n DO I = 1, NWLOUT\n\nC...find lower limit on input array\n\n MNWLPT = 1\n DO J = 1, NWLIN\n IF ( WLIN( J ) .LE. WLOUT1( I ) ) MNWLPT = J\n END DO\n\nC...find upper limit on input array\n\n MXWLPT = NWLIN\n DO J = NWLIN, 1, -1\n IF ( WLIN( J ) .GE. WLOUT2( I ) ) MXWLPT = J\n END DO\n\nC...initialize output arrays\n\n CQOUT( I ) = 0.0\n\nC...loop through the valid wavelength intervals\n\n DO J = MNWLPT, MXWLPT \n\nC...determine weighting fraction for the wavelength interval\n\n IF ( WLOUT1( I ) .LE. WLIN( J ) ) THEN\n \n IF ( WLOUT2( I ) .EQ. WLIN( J+1 ) ) THEN\n DWLIN = WLIN( J+1 ) - WLIN( J )\n CQA = CQIN( J )\n CQB = CQIN( J+1 )\n ELSE IF ( WLOUT2( I ) .LT. WLIN( J+1 ) ) THEN\n DWLIN = WLOUT2( I ) - WLIN( J )\n CQA = CQIN( J )\n CQB = ( CQIN( J+1 ) - CQIN( J ) )\n & / ( WLIN( J+1 ) - WLIN( J ) )\n & * ( WLOUT2( I ) - WLIN( J ) ) + CQIN( J )\n ELSE IF ( WLOUT2( I ) .GT. WLIN( J+1 ) ) THEN\n DWLIN = WLIN( J+1 ) - WLIN( J )\n CQA = CQIN( J )\n CQB = CQIN( J+1 )\n END IF\n \n ELSE IF ( WLOUT1( I ) .GT. WLIN( J ) ) THEN\n\n IF ( WLOUT2( I ) .EQ. WLIN( J+1 ) ) THEN\n DWLIN = WLIN( J+1 ) - WLOUT1( I )\n CQA = ( CQIN( J+1 ) - CQIN( J ) )\n & / ( WLIN( J+1 ) - WLIN( J ) )\n & * ( WLOUT1( I ) - WLIN( J ) ) + CQIN( J )\n CQB = CQIN( J+1 )\n ELSE IF ( WLOUT2( I ) .LT. WLIN( J+1 ) ) THEN\n DWLIN = WLOUT2( I ) - WLOUT1( I )\n CQA = ( CQIN( J+1 ) - CQIN( J ) )\n & / ( WLIN( J+1 ) - WLIN( J ) )\n & * ( WLOUT1( I ) - WLIN( J ) ) + CQIN( J )\n CQB = ( CQIN( J+1 ) - CQIN( J ) )\n & / ( WLIN( J+1 ) - WLIN( J ) )\n & * ( WLOUT2( I ) - WLIN( J ) ) + CQIN( J )\n ELSE IF ( WLOUT2( I ) .GT. WLIN( J+1 ) ) THEN\n DWLIN = WLIN( J+1 ) - WLOUT1( I )\n CQA = ( CQIN( J+1 ) - CQIN( J ) )\n & / ( WLIN( J+1 ) - WLIN( J ) )\n & * ( WLOUT1( I ) - WLIN( J ) ) + CQIN( J )\n CQB = CQIN( J+1 )\n END IF\n \n END IF\n\nC...set wavelength interval fraction\n\n DWLIN = AMAX1 ( DWLIN / ( WLOUT2( I ) - WLOUT1( I ) ), 0.0 )\n\nC...add weighted quantity to output arrays\n\n CQOUT( I ) = CQOUT( I ) + 0.5 * ( CQA + CQB ) * DWLIN\n\n END DO\n\n END DO\n\nC...process interval data\n\n ELSE\n\nC...determine wl intervals for CENTERED WLBAND data\n\n IF ( TYPE .EQ. 'C' ) THEN\n\n WLIN1( 1 ) = 0.5 * (( 3.0 * WLIN( 1 ) ) - WLIN( 2 ))\n WLIN2( 1 ) = 0.5 * (WLIN( 1 ) + WLIN( 2 ))\n\n DO J = 2, NWLIN-1\n WLIN1( J ) = 0.5 * (WLIN( J ) + WLIN ( J-1 ))\n WLIN2( J ) = 0.5 * (WLIN( J ) + WLIN ( J+1 ))\n END DO\n\nC...determine wl intervals for BEGINNING WLBAND data\n\n ELSE IF ( TYPE .EQ. 'B' ) THEN\n\n DO J = 1, NWLIN-1\n WLIN1( J ) = WLIN( J )\n WLIN2( J ) = WLIN( J+1 )\n END DO\n\nC...determine wl intervals for ENDING WLBAND data\n\n ELSE IF ( TYPE .EQ. 'E' ) THEN\n\n DO J = 2, NWLIN\n WLIN1( J-1 ) = WLIN( J-1 )\n WLIN2( J-1 ) = WLIN( J )\n END DO\n\nC...stop program if wavelength data type not found\n\n ELSE\n\n MSG = 'Unrecognized spectra type in CSQY file '\n WRITE(6,'(A)')TRIM( PNAME ) // ': ', TRIM( MSG )\n STOP\n\n END IF\n\nC...loop through wavelength intervals for output arrays\n\n DO I = 1, NWLOUT\n\nC...find lower limit on input array\n \n MNWLPT = 1 \n DO J = 1, NWLIN-1\n IF ( WLIN1( J ) .LE. WLOUT1( I ) ) MNWLPT = J\n END DO\n\nC...find upper limit on input array\n\n MXWLPT = NWLIN-1\n DO J = NWLIN-1, 1, -1\n IF ( WLIN2( J ) .GE. WLOUT2( I ) ) MXWLPT = J\n END DO\n\nC...initialize output arrays\n\n CQOUT( I ) = 0.0\n\nC...loop through the valid wavelength intervals\n\n DO J = MNWLPT, MXWLPT \n\nC...determine weighting fraction for the wavelength interval\n\n IF ( WLOUT1( I ) .LE. WLIN1( J ) ) THEN\n \n IF ( WLOUT2( I ) .EQ. WLIN2( J ) ) THEN\n DWLIN = WLIN2( J ) - WLIN1( J )\n ELSE IF ( WLOUT2( I ) .LT. WLIN2( J ) ) THEN\n DWLIN = WLOUT2( I ) - WLIN1( J )\n ELSE IF ( WLOUT2( I ) .GT. WLIN2( J ) ) THEN\n DWLIN = WLIN2( J ) - WLIN1( J )\n END IF\n \n ELSE IF ( WLOUT1( I ) .GT. WLIN1( J ) ) THEN\n\n IF ( WLOUT2( I ) .EQ. WLIN2( J ) ) THEN\n DWLIN = WLIN2( J ) - WLOUT1( I )\n ELSE IF ( WLOUT2( I ) .LT. WLIN2( J ) ) THEN\n DWLIN = WLOUT2( I ) - WLOUT1( I )\n ELSE IF ( WLOUT2( I ) .GT. WLIN2( J ) ) THEN\n DWLIN = WLIN2( J ) - WLOUT1( I )\n END IF\n \n END IF\n\nC...set wavelength interval fraction\n\n DWLIN = AMAX1 ( DWLIN / ( WLOUT2( I ) - WLOUT1( I ) ), 0.0 )\n\nC...add weighted quantity to output arrays\n\n CQOUT( I ) = CQOUT( I ) + CQIN( J ) * DWLIN\n\n END DO\n\n END DO\n\n END IF\n \n RETURN\n END\n" }, { "path": "UTIL/jproc/src/common/interp.f", "content": "\n!-----------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies!\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!-----------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/JPROC/src/driver/jproc_table/interp.f,v 1.5 2011/10/29 01:03:53 sjr Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC @(#)interp.F\t1.1 /project/mod3/JPROC/src/driver/jproc_table/SCCS/s.interp.F 23 May 1997 12:44:19\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE INTERP ( DLAT, IDATE, XT, XAIR, XO3, XDOBS, HO3, \n & T, AIR, O3 )\n\nC*********************************************************************\nC\nC FUNCTION: Interpolates data for T, AIR, and O3 to the selected\nC day of the year (from seasonal averages or monthly averages)\nC and to the selected latitude (data at 90N -> 90S by 10 deg incre\nC Note: latitude dependent data is indexed 1 through 19:\nC (1 = 90N, 10 = Equator, 19 = 90S).\nC seasonal data is indexed 1 through 4:\nc 1 = winter, 2 = spring, 3 = summer, 4 = fall\nC monthly data is indexed 1=Jan, 2=Feb,...,12=Dec.\nc Output of this subroutine is: Molecular # density, Ozone, and\nC temperature interpolated to date and latitude of interest:\nC AIR(I), T(I), O3. Also, the O3 data can also be re-scaled to\nC a different value of total ozone (DOBSON).\nC \nC PRECONDITIONS REQUIRED: \nC \nC REVISION HISTORY:\nC 5/12/95 s.roselle modified old radm version for new coding std\nC\nC*********************************************************************\n\n IMPLICIT NONE\n\n INCLUDE 'JVALPARMS.EXT' ! jproc parameters\n\nC...........ARGUMENTS and their descriptions\n\n INTEGER IDATE ! date (yyyymmdd)\n \n REAL DLAT ! latitude interval\n REAL T ( MXLEV ) ! interpolated temp profile\n REAL AIR( MXLEV ) ! interpolated air profile\n REAL O3 ( MXLEV ) ! interpolated ozone profile\n REAL XT ( 12, 19, MXLEV ) ! season-lat-vert temp profile\n REAL XAIR( 12, 19, MXLEV ) ! season-lat-vert air profile\n REAL XO3 ( 12, 19, MXLEV ) ! season-lat-vert ozone profile\n REAL XDOBS( 19, 12 ) ! lat-season ozone values\n REAL HO3 ! ozone scale height\n\nC...........LOCAL VARIABLES and their descriptions:\n\n INTEGER IYEAR ! year (yyyy)\n INTEGER IDAY ! day (dd)\n INTEGER IMONTH ! month (mm)\n INTEGER ILEV ! level index variable\n INTEGER IMON ! month index variable\n INTEGER NS1 ! season number\n INTEGER JDAYS ! julian day\n INTEGER NS2 ! next season number\n INTEGER NM2 ! next month number\n INTEGER NM1 ! month number\n INTEGER L1 ! latitude\n INTEGER L2 ! next latitude\n INTEGER JDAY ! julian date\n INTEGER JDAYM ! julian date\n \n INTEGER IJMN( 12 ) ! julian start day for each month\n DATA IJMN / 0, 31, 59, 90, 120, 151,\n & 181, 212, 243, 273, 304, 334 /\n SAVE IJMN\n \n INTEGER MIDS( 5 ) ! julian day midpoints of seasons\n DATA MIDS / 35, 126, 218, 310, 400 /\n SAVE MIDS\n \n INTEGER MIDM( 13 ) ! julian day midpoints by month\n DATA MIDM / 15, 46, 74, 105, 135, 166, 196, \n & 227, 258, 288, 319, 349, 380 /\n SAVE MIDM\n\n REAL FS2 ! seasonal weighting factor 1\n REAL FS1 ! seasonal weighting factor 2\n REAL FM2 ! monthly weighting factor 1\n REAL FM1 ! monthly weighting factor 2\n REAL AL1 !\n REAL FL1 ! latitude weighting factor 1\n REAL FL2 ! latitude weighting factor 2\n REAL A1 ! seasonally interpolated air 1\n REAL A2 ! seasonally interpolated air 2\n REAL T1 ! seasonally interpolated temp 1\n REAL T2 ! seasonally interpolated temp 2\n REAL O31 ! seasonally interpolated ozone 1\n REAL O32 ! seasonally interpolated ozone 2\n REAL D1 ! monthly interpolated dobson 1\n REAL D2 ! monthly interpolated dobson 2\n REAL DOBSON ! lat & monthly interp. dobson\n REAL DOBSREF ! interp. O3 profile dobson unit\n\nC*********************************************************************\nC begin body of subroutine INTERP2\n\nC.......assumed julian date of seasonally averaged data, MIDS:\nC....... 1 - winter - 35 - 4 feb\nC....... 2 - spring - 126 - 6 may\nC....... 3 - summer - 218 - 6 aug\nC....... 4 - fall - 310 - 6 nov\nC....... 5 - new winter - 35+365 - 4 feb\nC.......assumed julian date for monthly averaged data, MIDM:\nC....... 15th day of each month\n\nC.......parse date\n\n IYEAR = INT( IDATE / 10000 )\n IMONTH = INT( (IDATE - IYEAR * 10000) / 100 )\n IDAY = IDATE - IYEAR * 10000 - IMONTH * 100\n \nC.......compute Julian day, adjusting for leap years\n\n JDAY = IJMN( IMONTH ) + IDAY\n IF ( (MOD( IYEAR, 4 ) .EQ. 0) .AND. (IMONTH .GT. 2) )\n & JDAY = JDAY + 1\n\nC.......compute season interpolation parameters\nC....... calculate nearest previous season data set index\n\n NS1 = 4\n IF ( JDAY .GE. 35 ) NS1 = 1\n IF ( JDAY .GE. 126 ) NS1 = 2\n IF ( JDAY .GE. 218 ) NS1 = 3\n IF ( JDAY .GE. 310 ) NS1 = 4\n\nC.......adjust for cyclic year\n\n JDAYS = JDAY\n IF ( JDAY .LT. 35 ) JDAYS = JDAY + 365\n NS2 = NS1 + 1\n FS2 = FLOAT( JDAYS - MIDS( NS1 ) ) /\n & FLOAT( MIDS( NS2 ) - MIDS( NS1 ) )\n FS1 = 1.0 - FS2\n IF ( NS2 .EQ. 5 ) NS2 = 1\n\nC.......compute monthly interpolation parameters\n\n DO IMON = 1, 13\n NM2 = IMON\n IF ( JDAY .LT. MIDM( IMON ) ) GO TO 250\n END DO\n\n250 CONTINUE\n\nC.......adjust for cyclic year\n\n IF ( NM2 .EQ. 1 ) NM2 = 13\n NM1 = NM2 - 1\n JDAYM = JDAY\n IF ( JDAYM .LT. 15 ) JDAYM = JDAY + 365\n FM2 = FLOAT( JDAYM - MIDM( NM1 ) ) / \n & FLOAT( MIDM( NM2 ) - MIDM( NM1 ) )\n FM1 = 1.0 - FM2\n IF ( NM2 .EQ. 13 ) NM2 = 1\n\nC.......compute latitude interpolation parameters\n\n AL1 = 10.0 - DLAT / 10.0\n L1 = INT( AL1 )\n L2 = L1 + 1\n IF ( DLAT .EQ. -90.0 ) L2 = L1 - 1\n FL2 = AL1 - FLOAT( L1 )\n FL1 = 1.0 - FL2\n\nC.......interpolate\n\n DO ILEV = 1, MXLEV\n A1 = FS1 * XAIR( NS1, L1, ILEV ) +\n & FS2 * XAIR( NS2, L1, ILEV )\n A2 = FS1 * XAIR( NS1, L2, ILEV ) +\n & FS2 * XAIR( NS2, L2, ILEV )\n T1 = FS1 * XT ( NS1, L1, ILEV ) +\n & FS2 * XT ( NS2, L1, ILEV )\n T2 = FS1 * XT ( NS1, L2, ILEV ) +\n & FS2 * XT ( NS2, L2, ILEV )\n O31 = FS1 * XO3 ( NS1, L1, ILEV ) +\n & FS2 * XO3 ( NS2, L1, ILEV )\n O32 = FS1 * XO3 ( NS1, L2, ILEV ) +\n & FS2 * XO3 ( NS2, L2, ILEV )\n AIR( ILEV ) = FL1 * A1 + FL2 * A2\n T ( ILEV ) = FL1 * T1 + FL2 * T2\n O3 ( ILEV ) = FL1 * O31 + FL2 * O32\n END DO\n\nC.......interpolate dobson values:\n\n D1 = FM1 * XDOBS( L1, NM1 ) + FM2 * XDOBS( L1, NM2 )\n D2 = FM1 * XDOBS( L2, NM1 ) + FM2 * XDOBS( L2, NM2 )\n DOBSON = FL1 * D1 + FL2 * D2\n\nC.......adjustment of O3 profiles to monthly DOBSON data from WMO 1981\n\n DOBSREF = O3( MXLEV ) * 1.0E5 * HO3\n\n DO ILEV = 1, MXLEV\n DOBSREF = DOBSREF + O3( ILEV ) * 1.0E5\n END DO\n\n DOBSREF = DOBSREF / 2.687E16\n \n DO ILEV = 1, MXLEV\n O3( ILEV ) = O3( ILEV ) * DOBSON / DOBSREF\n END DO\n\n RETURN\n END\n" }, { "path": "UTIL/jproc/src/common/jproc.F", "content": "\n!-----------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies!\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!-----------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/JPROC/src/driver/jproc_table/jproc.F,v 1.8 2011/10/29 01:03:53 sjr Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC @(#)jproc.F 1.3 /project/mod3/JPROC/src/driver/jproc_table/SCCS/s.jproc.F 04 Jul 1997 09:39:12\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n PROGRAM JPROC\n \nC*********************************************************************\nC\nC This program calculates photolytic rate constants for\nC atmospheric molecules specified by the chemical mechanism\nC reader. J-values are output in a TABLE format, dimensioned\nC by hour angle, latitudinal band, and vertical height. The\nC contents of the table have been modulated by climatological\nC profiles of temperture, pressure, and ozone. In addition,\nC if Total Ozone Column Measurements are available, the ozone\nC profile is scaled to the measured TOC value.\nC\nC*********************************************************************\nC\nC Revision History:\nC\nC Date Who Changes Made\nC ------- ------------ --------------------------------------------\nC 10/6/09 S.Roselle Increased dimensions on the output jtable\nC to accommodate Southern Hemisphere (issue \nC reported by Erick Sperandio) and Global\nC applications: extended to all latitudinal\nC bands (-90 to +90); added more hour angles \nC (up to 12 hrs from local noon); increased\nC vertical extent to 20km; increased resolution\nC in the upper troposphere (suggested by\nC Barron Henderson); updated code that applies\nC temperature/pressure adjustments to CS/QY \nC data (issue reported by Barron Henderson)\nC 7/15/96 S.Roselle Final modification for targeted IOV version...\nC now uses radiation routines from Madronich's\nC TUV model. Finalized CSQY and ET input\nC formats and links to the chemistry mechanism\nC reader.\nC 4/15/96 S.Roselle Modified to read TOMS data and rescale\nC ozone profiles to fit total ozone column\nC values if TOMS data are available\nC 1/30/96 S.Roselle Significant modification to CSQY input...Now\nC reads CSQY on any wavelength distribution and\nC integrates to ET wavelength bands. Reads in\nC user specified CSQY files and calculated\nC jvalues only for these specified reations.\nC 6/26/95 S.Roselle& Modified to become the Models-3 Photolysis\nC C.Jang Rate Preprocessor with the following changes\nC 1. Follow the Models-3 coding standard.\nC 2. Produce a unique set of J-value output\nC for RADM2, CB-IV, and SAPRC90 Mechanisms\nC (a total of 27 photolytic reactions).\nC 3. Increase the vertical resolution of\nC J-value output from3 levels (0,1,10 km)\nC to 7 levels (0,1,2,3,4,5,10).\nC 4. Update the species quantum yield and\nC absorption cross-section (the 'P2' file,\nC now 'P3') from NASA-JPL-94 publications.\nC 5. Add comment lines to 'J3' output for the\nC benefits of chemical mechanism reader\nC used in the Models-3 and a clear \nC description of the output information.\nC 04/24/95 S.Roselle Removed as subroutine in Met Preprocessor\nC and made into a separate program\nC 89156 JKV Modified for use as subroutine of met\nC preprocessor. created FOUTJ2.\nC 89144 JKV Modified to use date of form YYDDD passed\nC from preprocessor.\nC 6/7/89 ......... Cray version for RADM2\nC 7/88 J.d.C & modified\nC M.Boharneys\nC 1988 b.stockwell modified \nC 8/18/87 S.Madronich last modified\nC S.Madronich Program written\nC\nC*********************************************************************\n\n USE GET_ENV_VARS, FILE_UNIT => JUNIT\n USE RXNS_DATA\n\n IMPLICIT NONE\n\n INCLUDE SUBST_CONST ! commonly used constants\n\n INCLUDE 'JVALPARMS.EXT' ! jproc parameters\n\nC...........PARAMETERS and their descriptions\n\n INTEGER, PARAMETER :: JVHT = 13 ! number of output vert. levels\n INTEGER, PARAMETER :: JVTMAX = 13 ! number of hours output\n INTEGER, PARAMETER :: JVLAT = 19 ! number of output latitudes\n\nC...........LOCAL VARIABLES and their descriptions:\n\n CHARACTER(16) :: PNAME = 'JPROC' ! driver program name\n CHARACTER(16) :: JVFILE = 'JVALUES' ! JVALUES i/o logical name\n CHARACTER(80) :: MSG = ' ' ! buffer for messages to output\n CHARACTER(255) EQNAME ! full name of JVALUES file\n \n LOGICAL TOMS_EXIST ! TOMS data existence flag\n\n INTEGER DAY ! julian day of year\n INTEGER IBASE ! cloud base index\n INTEGER IDATE ! date (yyyymmdd)\n INTEGER YEAR ! year (yyyy)\n INTEGER ILAT ! latitude index\n INTEGER ITIME ! hour index\n INTEGER ITOP ! cloud top index\n INTEGER JVUNIT ! unit number for j-value output \n INTEGER JDT ! julian date\n INTEGER IWL ! wavelength index\n INTEGER ILEV ! level index\n INTEGER MONTH ! month counter\n INTEGER IHT ! height index\n INTEGER NLAYS ! total # of atm layers\n INTEGER NLEVS ! number of levels\n INTEGER IPHOT ! reaction index\n INTEGER NSUBKM ! cloud sublayers/km\n INTEGER NSURF ! ground elev above sea level\n INTEGER NWL ! number of wavelength bands\n INTEGER IOST ! io status\n INTEGER STATUS ! status\n \n! indices in latitude array to print rates to standard output \n INTEGER, PARAMETER :: NLAT_PRINT = 7\n INTEGER :: ILAT_PRINT( NLAT_PRINT ) = (/ 4, 6, 8, 10, 12, 14, 16 /)\n \n REAL COSZEN ! cosine zenith angle\n REAL DF ! actinic flux\n REAL DJ ! jvalue for one wl,lev,react\n REAL DLAT ! latitude\n REAL DLONG ! longitude for Pittsburgh\n REAL ZENITH ! zenith angle\n REAL GAER ! aerosol asymetry factor\n REAL GCLD ! cloud asymetry factor\n REAL GRAY ! asymetry fact for Rayleigh scat\n REAL HAER ! aerosol scale ht at atm top\n REAL HAIR ! air scale height\n REAL HO3 ! ozone scale height\n REAL OMAER ! aerosol single scat albedo\n REAL OMCLD ! cloud single scat cross sect\n REAL OMRAY ! single scat albedo, Rayleigh\n REAL UT ! time\n REAL UT0 ! local high noon\n REAL UTNOON ! local high noon\n\n REAL DOBNEW( JVLAT ) ! total vertical ozone column\n REAL ACLD( NPHOTAB ) ! species dependent cloud albedo factor\n REAL CLOUD( 48 ) ! cloud optical depth profile\n REAL O3 ( MXLEV ) ! ozone profile\n REAL T ( MXLEV ) ! interpolated temp profile\n REAL AIR( MXLEV ) ! interpolated air profile\n REAL AER( MXLEV ) ! aerosol attenuation profile\n REAL VAER( NJ ) ! aerosol column in layer\n REAL VAIR( NJ ) ! air column in layer\n REAL VCLD( NJ ) ! cloud column in layer\n REAL VO3 ( NJ ) ! ozone column in layer\n REAL VT ( NJ ) ! average temp of column\n REAL ZMID( NJ ) ! altitude of midpoint of layer\n REAL Z ( NJ ) ! altitude of each level\n REAL CVO2( NJ ) ! vertical column O2\n REAL MIDWL ( MXWL ) ! wavelength band midpoints\n REAL STWL ( MXWL ) ! wavelength band starting point\n REAL ENDWL ( MXWL ) ! wavelength band ending point\n REAL AAER ( MXWL ) ! aerosol total vert opt depth\n REAL ALBEDO( MXWL ) ! ground albedo\n REAL ARAYL ( MXWL ) ! Rayleigh scat cross section\n REAL F ( MXWL ) ! extra-terrestrial radiation\n REAL O2ABS ( MXWL ) ! O2 absorption cross section\n REAL O3ABS ( MXWL ) ! O3 absorption cross section\n REAL XDOBS( 19, 12 ) ! lat-season ozone values\n REAL ENDIR( NJ, MXWL ) ! direct flux\n REAL ENDN ( NJ, MXWL ) ! diffuse down-flux\n REAL ENUP ( NJ, MXWL ) ! diffuse up-flux\n REAL AO2 ( NJ, MXWL ) ! O2 cross section\n REAL AO3 ( NJ, MXWL ) ! average O3 cross sect in layer\n REAL D( NPHOTAB, NJ ) ! j-values\n REAL QY( MXWL, NPHOTAB ) ! quantum yields\n REAL CS( MXWL, NPHOTAB ) ! cross sections\n REAL XT ( 12, 19, MXLEV ) ! season-lat-vert temp profile\n REAL XO3 ( 12, 19, MXLEV ) ! season-lat-vert ozone profile\n REAL XAIR( 12, 19, MXLEV ) ! air concentration\n REAL QYZ( 100, MXWL, NPHOTAB )! quantum yields T&P corrected\n REAL CSZ( 100, MXWL, NPHOTAB )! cross section at each level\n REAL XJVAL( NPHOTAB, JVTMAX, JVLAT, JVHT ) ! jvalues\n\n! latitudes for jvalue file\n REAL :: XLATJV( JVLAT ) = (/ -90.0, -80.0, -70.0, -60.0, -50.0, -40.0, \n & -30.0, -20.0, -10.0, 0.0, 10.0, 20.0, 30.0, \n & 40.0, 50.0, 60.0, 70.0, 80.0, 90.0 /)\n! hours from noon for jvalue file\n REAL :: XHAJV( JVTMAX ) = (/ 0.0, 1.0, 2.0, 3.0, 4.0, 5.0, 6.0, 7.0, 8.0,\n & 9.0, 10.0, 11.0, 12.0 /)\n! vertical hts (m) for jvalue file\n REAL :: XZJV( JVHT ) = (/ 0.0, 1000.0, 2000.0, 3000.0, 4000.0,\n & 5000.0, 8000.0, 10000.0, 15000.0, 20000.0,\n & 25000.0, 30000.0, 35000.0 /) ! <<< 13 levels\n\nC...........FUNCTIONS and their descriptions:\n\n REAL CHJ ! Chapman function\n\n CHARACTER( 3 ) :: MONTHS(1:12) = (/ \n & 'Jan','Feb','Mar','Apr','May','Jun',\n & 'Jul','Aug','Sep','Oct','Nov','Dec' /)\n\nC*********************************************************************\nC begin body of program JPROC\n\n WRITE( 6, 2001 )\n & 'Program ' // TRIM( PNAME ) ,\n & 'This program calculates photolytic rate constants for ',\n & 'atmospheric molecules specified by the chemical mechanism ',\n & 'reader. J-values are output in a TABLE format, dimensioned ',\n & 'by hour angle, latitudinal band, and vertical height. The ',\n & 'contents of the table have been modulated by climatological ',\n & 'profiles of temperture, pressure, and ozone. In addition, ',\n & 'if Total Ozone Column Measurements are available, the ozone ',\n & 'profile is scaled to the measured TOC value. ',\n & ' '\n\nC...get starting date\nC... this affects: (1) the calculation of the zenith angle\nC... (2) interpolation of seasonal and monthly \nC... dependent T,M,O3,DOBSON\nC\nC...read the julian start date (yyyyddd)\n \n JDT = 1988215 ! default: 1988215\n MSG = 'Scenario Starting Date (YYYYDDD)'\n JDT = GET_ENV_INT( 'JPROC_STDATE', MSG, JDT, STATUS )\n \n IF ( STATUS .NE. 0 ) WRITE( 6, '( 5X, A )' ) MSG\n\n IF ( STATUS .EQ. 1 ) THEN\n MSG = 'Environment variable improperly formatted'\n WRITE(6,'(A)')TRIM( PNAME ) // ': ', TRIM( MSG )\n STOP\n ELSE IF ( STATUS .EQ. -1 ) THEN\n MSG = 'Environment variable set, but empty...Using default:'\n WRITE( 6, '( 5X, A, I9 )' ) MSG, JDT\n ELSE IF ( STATUS .EQ. -2 ) THEN\n MSG = 'Environment variable not set...Using default:'\n WRITE( 6, '( 5X, A, I9 )' ) MSG, JDT\n END IF\n\n\nC...check for the existence of TOMS data\n\n TOMS_EXIST = .FALSE.\n MSG = 'TOMS data exist (Y/N)'\n TOMS_EXIST = GET_ENV_FLAG( 'JPROC_TOMSEXIST', MSG, TOMS_EXIST, STATUS )\n IF ( STATUS .NE. 0 ) WRITE( 6, '(5X, A)' ) MSG\n\n IF ( STATUS .EQ. 1 ) THEN\n MSG = 'Environment variable improperly formatted'\n WRITE(6,'(A)')TRIM( PNAME ) // ': ', TRIM( MSG )\n STOP\n ELSE IF ( STATUS .EQ. -1 ) THEN\n MSG = 'Environment variable set, but empty ... Using default:'\n WRITE( 6, '(5X, A, L9)' ) MSG, TOMS_EXIST\n ELSE IF ( STATUS .EQ. -2 ) THEN\n MSG = 'Environment variable not set ... Using default:'\n WRITE( 6, '(5X, A, L9)' ) MSG, TOMS_EXIST\n END IF\n\n IF ( .NOT. ( TOMS_EXIST ) ) THEN\n WRITE( 6, 2009 ) \n END IF\n\nC...convert julian date to year, month, and day\nC... and to yyyymmdd format\n\n CALL JULIAN_YEAR_MONTH_DAY (JDT,YEAR,MONTH,DAY)\n IDATE = YEAR * 10000 + MONTH * 100 + DAY\n\n WRITE( 6, 2005 ) TRIM( MONTHS( MONTH ) ), DAY, YEAR\n\nC...read the extra terrestrial radiation data\n\n CALL READET ( NWL, STWL, MIDWL, ENDWL, F )\n\nC...read the absorption cross section and quantum yield data\n\n CALL READCSQY ( NWL, STWL, ENDWL, CS, QY )\n\nC...read the molecular oxygen absorption cross sections\n\n CALL READO2 ( NWL, STWL, ENDWL, O2ABS )\n\nC...read the ozone absorption cross sections\n\n CALL READO3 ( NWL, STWL, ENDWL, O3ABS )\n\nC...read the total ozone column data\n\n IF ( TOMS_EXIST ) CALL READTOMS ( JDT, JVLAT, XLATJV, DOBNEW )\n\nC...read the standard atmosphere profiles\n\n CALL READPROF ( XAIR, AIR, XO3, XDOBS, O3, AER, XT, T )\n\nC...specify ground albedo\n\n CALL SET_ALBEDO ( NWL, MIDWL, ALBEDO )\n\nC...cloud: specify cloud\n\n CALL SETCLD ( NLAYS, NLEVS, NSUBKM, IBASE, ITOP, CLOUD,\n & OMCLD, GCLD )\n\nC...Specify aerosols\n\n CALL SETAER ( NWL, MIDWL, AAER, OMAER, GAER, HAER )\n\nC...Specify air/Rayleigh parameters\n\n CALL SETAIR ( NWL, MIDWL, HAIR, OMRAY, GRAY, ARAYL )\n\nC...nsurf: ground elevation above sea level\nC... Here can specify different altitudes for ground surface.\nC... Currently set up so that change index of surface level:\nC... 1 = SEA LEVEL\nC...\nC... ***Note that the altitude associated with level index depends\nC... on whether sublayering has been done over this altitude range.\nC... So for example nsurf = 2 means 1 km above sea level\nC... if ibase > 2, but if ibase = 1 then this means 1/36 km above\nC... sea level.\n\n NSURF = 1\n\nC...ozone: specify ozone vs. height parameters\nc... HO3 = ozone scale height, used to estimate ozone density column \nC... upper boundary (50km).\nC... DOBNEW = total vertical ozone column, in milli-cm-atm. If want \nC... value, must specify DOBNEW here and turn on subroutine \nC... further below. Otherwise: O3 profiles from main data\nC... will be used.\n\n HO3 = 4.50\n\nC...compute season number\nC\nC...latitude and longitude:\nC... the altitude profiles of air density, temperature,\nC... and ozone depend on the geographic coordinates. Also, these are\nC... needed to calculate the zenith angle.\nC... ILAT is index for different latitudes\nC... user must supply the real values of the latitude,\nC... DLAT = funct(ILAT) for each index ILAT. DLAT is the real\nC... latitude in degrees, e.g.\nc... 90.0 at N-pole\nC... 0.0 at equator\nC... -90.0 at S-pole\nC... All altitude-dependent data are adjusted to the selected\nC... latitude in subroutine INTERP(DLAT,IDATE)\n\nC...set long. for Pittsburgh\n\n DLONG = 80.0\n\nC...loop for latitude\n\n DO 200 ILAT = 1, JVLAT\n DLAT = XLATJV( ILAT )\n\nC... interpolate to working latitude and date\nC... if subroutine INTERP is not called, code will use standard\nC... altitude pr. for ozone, air, temperature, and aerosols\n\n CALL INTERP ( DLAT, IDATE, XT, XAIR, XO3, XDOBS, HO3, \n & T, AIR, O3 )\n\nC...invoke subroutine O3SCAL is want to set all dobson values to\nC... user-selected value DOBNEW, otherwise WMO monthly average data\nC... are used.\n\n IF ( TOMS_EXIST ) CALL O3SCAL ( O3, HO3, XLATJV( ILAT ),\n & DOBNEW( ILAT ) )\n\nC...subdivide atmosphere in layers\nC... subroutine SUBGRID computes all altitude dependent quantities on\nC... grid used in radiative transfer calculation.\n\n CALL SUBGRID ( NWL, STWL, MIDWL, ENDWL, CS, CSZ, QY, QYZ,\n & AIR, HAIR, VAIR, CVO2, O3ABS, O3, HO3, VO3,\n & AO3, IBASE, ITOP, CLOUD, NSUBKM, VCLD,\n & AER, VAER, HAER, T, VT, Z, ZMID,\n & NLAYS, NLEVS )\n\nC...time and zenith: specify times for calculation\nC... note that date was already specified above\nC... UT0 = Universal Time (GMT) of first calculation\nC...Select starting time, for example,\nC... UTNOON = 12. + DLONG*24./360. -> start at local high sun\n\n UTNOON = 12.0 + DLONG * 24.0 / 360.0\n UT0 = UTNOON\n DO 200 ITIME = 1, JVTMAX\n UT = UT0 + XHAJV( ITIME )\n\n CALL CALCZEN ( DLAT, DLONG, IDATE, UT, ZENITH )\n\nC...initialize J-values\n\n DO ILEV = 1, NLEVS\n DO IPHOT = 1, NPHOTAB\n D( IPHOT, ILEV ) = 0.0\n END DO\n END DO\n\nC...if nighttime, skip radiative transfer calculation\n\n IF ( ZENITH .LE. 95.0 ) THEN ! begin daytime calcs\n IF ( ZENITH .EQ. 90.0 ) ZENITH = 89.9\n COSZEN = COS( ZENITH * PI180 )\n IF ( ZENITH .GT. 75.0 ) COSZEN = 1.0 / CHJ( ZENITH )\n\nC...subroutine SRBAND computes effective ozone cross sections in the\nC... Schumann-Runge region, using the parameterization of Allen and\nC... Frederick\n\n CALL SRBAND ( NWL, STWL, MIDWL, ENDWL, COSZEN, NLAYS, AO2,\n & CVO2, VT, ZMID, O2ABS )\n\nC...subroutine OPTICS is the driver for the flux calculation. Output is\nC... ENDIR(ILEV,IWL) - irradiance of direct solar beam\nC... ENDN (ILEV,IWL) - irradiance of down-welling diffuse light\nC... ENUP (ILEV,IWL) - irradiance of up-welling diffuse light\nC... for each level LEV and wavelength bin IWL.\n\n CALL OPTICS ( NWL, COSZEN, ENDIR, ENDN, ENUP,\n & VAIR, ARAYL, GRAY, OMRAY, AO2, VO3, AO3,\n & VCLD, GCLD, OMCLD, VAER, AAER, GAER, OMAER,\n & ALBEDO, NLAYS, NLEVS, NSURF )\n\n \n DO IWL = 1, NWL\n DO ILEV = 1, NLEVS\n\nC...compute the actinic flux\n\n DF = F( IWL ) * ( ENDIR( ILEV, IWL ) \n & + ENDN ( ILEV, IWL )\n & + ENUP ( ILEV, IWL ) )\n IF ( ILEV .LT. NSURF ) DF = 0.0\n\nC...compute rate of photolysis (j-values) for each reaction\n\n DO IPHOT = 1, NPHOTAB\n DJ = DF * CSZ( ILEV, IWL, IPHOT )\n & * QYZ( ILEV, IWL, IPHOT )\n D( IPHOT, ILEV ) = D( IPHOT, ILEV ) + DJ \n END DO\n\n END DO\n END DO\n\n END IF ! end daytime calculations\n\nC...load output array and convert from 1/sec to 1/min\n\n DO ILEV = 1, NLEVS\n\n DO IHT = 1, JVHT\n IF ( FLOAT ( ( ILEV - 1 ) * 1000 ) .EQ. XZJV( IHT ) ) THEN\n\n DO IPHOT = 1, NPHOTAB\n XJVAL( IPHOT, ITIME, ILAT, IHT ) = D( IPHOT, ILEV )\n & * 60.0\n END DO\n\n END IF\n END DO\n\n END DO\n\n200 CONTINUE\n\nC...write output file with file header \n\n CALL VALUE_NAME ( JVFILE, EQNAME )\n JVUNIT = FILE_UNIT( )\n \n OPEN ( UNIT = JVUNIT,\n & FILE = EQNAME,\n & FORM = 'FORMATTED',\n & STATUS = 'NEW',\n & IOSTAT = IOST )\n\nC...check for open errors\n\n IF ( IOST .NE. 0) THEN\n MSG = 'Could not open the JVALUE data file'\n WRITE(6,'(A)')TRIM( PNAME ) // ': ', TRIM( MSG )\n STOP\n END IF\n\n WRITE( 6, 2011 ) JVUNIT, EQNAME\n\nC...Write Julian Date to output ***\n\n WRITE ( JVUNIT, 2013 ) JDT\n\n WRITE( JVUNIT, 2015 ) JVHT\n WRITE( JVUNIT, 2017 ) ( XZJV( IHT ), IHT=1, JVHT )\n\n WRITE( JVUNIT, 2019 ) JVLAT\n WRITE( JVUNIT, 2021 ) ( XLATJV( ILAT ), ILAT=1, JVLAT )\n\n WRITE( JVUNIT, 2023 ) JVTMAX\n WRITE( JVUNIT, 2025 ) ( XHAJV( ITIME ), ITIME=1, JVTMAX )\n\n WRITE( JVUNIT, 2027) NPHOTAB\n\n DO IPHOT = 1, NPHOTAB\n ACLD( IPHOT ) = 1.0\n WRITE( JVUNIT, 2029 ) PHOTAB(IPHOT), ACLD( IPHOT )\n END DO\n\n DO IHT = 1, JVHT\n DO ILAT = 1, JVLAT\n DO IPHOT = 1, NPHOTAB\n\n WRITE( JVUNIT, 2031 ) IHT, ILAT, IPHOT\n WRITE( JVUNIT, 2033 ) ( XJVAL( IPHOT, ITIME, ILAT, IHT ),\n & ITIME = 1, JVTMAX )\n\n END DO\n END DO\n END DO\n CLOSE( JVUNIT )\n\n IHT = 1\n WRITE(6,2034)0.001 * XZJV( IHT ),', Mean Values versus latitude'\n WRITE(6,2035)' Rate ',( XLATJV( ILAT_PRINT( ILAT ) ), ILAT = 1, NLAT_PRINT )\n DO IPHOT = 1, NPHOTAB\n WRITE(6,2036)PHOTAB(IPHOT), \n & (SUM( XJVAL( IPHOT, 1:JVTMAX, ILAT_PRINT( ILAT ), IHT ) ) / REAL( JVTMAX ),\n & ILAT = 1, NLAT_PRINT )\n END DO\n WRITE(6,2034)0.001 * XZJV( IHT ),', Max Values versus latitude'\n WRITE(6,2035)' Rate ',( XLATJV( ILAT_PRINT( ILAT ) ), ILAT = 1, NLAT_PRINT )\n DO IPHOT = 1, NPHOTAB\n WRITE(6,2036)PHOTAB(IPHOT), \n & (MAXVAL( XJVAL( IPHOT, 1:JVTMAX, ILAT_PRINT( ILAT ), IHT ) ), ILAT = 1, NLAT_PRINT )\n END DO\n \nC...formats\n\n2001 FORMAT( 5X, A )\n2005 FORMAT( 1X, '...Date to be processed: ', A3, 1X, I2, \n & ', ', I4, ' starting at 0:00 UT ' )\n2009 FORMAT( 1X, '...No TOMS data specified for this run.', /,\n & ' Climatological O3 column data will be used...', / )\n2011 FORMAT( 1X, '...Opening File on UNIT ', I2, /, 1X, A255, / )\n2013 FORMAT( 3X, I7, 2X, '(yyyyddd) Julian Date for the file' )\n2015 FORMAT( 3X, I2, 2X, 'LEVELS (m)' )\n2017 FORMAT( 3X, 30( F7.1, 1X ) )\n2019 FORMAT( 3X, I2, 2X, 'LATITUDES (deg)' )\n2021 FORMAT( 3X, 30( F5.1, 1X ) )\n2023 FORMAT( 3X, I2, 2X, 'HOUR ANGLES (from noon)' )\n2025 FORMAT( 3X, 30( F5.1, 1X ) )\n2027 FORMAT( 3X, I2, 2X, 'PHOTOLYTIC REACTIONS' )\n2029 FORMAT( 6X, '''', A16, ''',', 5X, F3.1 )\n2031 FORMAT( 1X, 3( I3, 1X ) )\n2033 FORMAT( 1X, 1P, 5( E13.7, 2X ) )\n2034 FORMAT('At Z = ', F6.2, A ) \n2035 FORMAT(A16,10(1X,F12.2))\n2036 FORMAT(A16,10(1X,ES12.4))\n\n\n STOP\n END\n" }, { "path": "UTIL/jproc/src/common/junit.f", "content": "\nC***************************************************************************\nC Significant portions of Models-3/CMAQ software were developed by *\nC Government employees and under a United States Government contract. *\nC Portions of the software were also based on information from non- *\nC Federal sources, including software developed by research institutions *\nC through jointly funded cooperative agreements. These research institu- *\nC tions have given the Government permission to use, prepare derivative *\nC works, and distribute copies of their work to the public within the *\nC Models-3/CMAQ software release and to permit others to do so. EPA *\nC therefore grants similar permissions for use of Models-3/CMAQ software, *\nC but users are requested to provide copies of derivative works to the *\nC Government without re-strictions as to use by others. Users are *\nC responsible for acquiring their own copies of commercial software *\nC associated with the Models-3/CMAQ release and are also responsible *\nC to those vendors for complying with any of the vendors' copyright and *\nC license restrictions. In particular users must obtain a Runtime license *\nC for Orbix from IONA Technologies for each CPU used in Models-3/CMAQ *\nC applications. *\nC *\nC Portions of I/O API, PAVE, and the model builder are Copyrighted *\nC 1993-1997 by MCNC--North Carolina Supercomputing Center and are *\nC used with their permissions subject to the above restrictions. *\nC***************************************************************************\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header$\n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC @(#)JUNIT.F\t1.1 /project/mod3/MECH/src/driver/mech/SCCS/s.JUNIT.F 02 Jan 1997 15:26:48\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n INTEGER FUNCTION JUNIT ()\n\nC JUNIT uses an internal INQUIRE call to determine if a unit number is\nC currently attached to a file.\nC In the call INQUIRE(UNIT = IUN, NAMED = NMD), NMD is .TRUE. if unit (IUN)\nC is connected to a file with a name, else it is .FALSE.\n\n IMPLICIT NONE\n\n INTEGER, PARAMETER :: LUNOUT = 6\n INTEGER, PARAMETER :: MAXUN = 99\n INTEGER, SAVE :: IUN\n LOGICAL NMD\n LOGICAL, SAVE :: AVAIL( MAXUN ) = .TRUE. ! array\n INTEGER, SAVE :: IGO = 1\n\n GO TO ( 10001, 20001 ) IGO\n10001 CONTINUE\n\nC set unit numbers that are not available for I/O\n AVAIL( 1 ) = .FALSE.\n AVAIL( 5 ) = .FALSE.\n AVAIL( 6 ) = .FALSE.\n\nC begin loop on unit numbers\n IUN = 10\n101 CONTINUE\n IF ( IUN .GT. MAXUN ) GO TO 301\n INQUIRE ( UNIT = IUN, NAMED = NMD )\n IF ( NMD ) THEN\n AVAIL( IUN ) = .FALSE.\n GO TO 201\n ELSE IF ( .NOT. AVAIL( IUN ) ) THEN\n GO TO 201\n END IF\n JUNIT = IUN\n AVAIL( IUN ) = .FALSE.\n\n IGO = 2\n RETURN\n20001 CONTINUE\n\n201 CONTINUE\n IUN = IUN + 1\n GO TO 101\n\n301 CONTINUE\n WRITE( LUNOUT,2001 )\n2001 FORMAT( / 1X, '*** ERROR ABORT in JUNIT ***' /\n & 1X, 'No more unit numbers available for I/O' )\n WRITE( LUNOUT,2003 ) ( IUN, AVAIL( IUN ), IUN = 1, MAXUN )\n2003 FORMAT( 1X, 'Available unit numbers are: ' /\n & 3( 1X, 20( I2, '-', L1, 2X) / ) )\n STOP\n END\n" }, { "path": "UTIL/jproc/src/common/module_envvar.F", "content": "\n MODULE GET_ENV_VARS\n\n IMPLICIT NONE\n PUBLIC :: GET_ENV_STRING, GET_ENV_FLAG, GET_ENV_INT, GET_ENV_REAL,\n & GET_ENVLIST, VALUE_NAME, JUNIT \n \n INTEGER, PARAMETER, PRIVATE :: LOGDEV = 6\n INTEGER, PARAMETER, PRIVATE :: MAX_LEN_WORD = 16\n \n CONTAINS\n\n SUBROUTINE VALUE_NAME( VAR_NAME, VAR_VALUE )\n IMPLICIT NONE\n CHARACTER*(*), INTENT( IN ) :: VAR_NAME\n CHARACTER*(*), INTENT( OUT ) :: VAR_VALUE\n\n INTEGER :: STATUS\n \n CALL GET_ENV_STRING( VAR_NAME, \" \", VAR_NAME, VAR_VALUE, STATUS )\n\n END SUBROUTINE VALUE_NAME\n SUBROUTINE GET_ENV_STRING( VAR_NAME, VAR_DESC, VAR_DEFAULT, VAR_VALUE, STATUS )\n IMPLICIT NONE\n!arguments\n CHARACTER*(*), INTENT( IN ) :: VAR_NAME\n CHARACTER*(*), INTENT( IN ) :: VAR_DESC\n CHARACTER*(*), INTENT( IN ) :: VAR_DEFAULT\n CHARACTER*(*), INTENT( OUT ) :: VAR_VALUE\n INTEGER, INTENT( OUT ) :: STATUS \n!local\n CHARACTER( 586 ) :: MSG ! Message text\n\n CALL GET_ENVIRONMENT_VARIABLE( NAME=VAR_NAME, VALUE= VAR_VALUE, STATUS=STATUS, TRIM_NAME=.TRUE.)\n\n IF( STATUS .LT. 0 ) THEN\n MSG = 'ERROR in environment value for ' // TRIM( VAR_NAME )\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n ELSE IF( STATUS .EQ. 1 )THEN\n STATUS = -1\n VAR_VALUE = TRIM( VAR_DEFAULT ) \n ELSE IF( STATUS .GT. 1 )THEN\n STATUS = 1\n MSG = 'ERROR in environment value for ' // TRIM( VAR_NAME )\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n MSG = 'ERROR Processor does not support environment variables '\n WRITE(LOGDEV,'(a)')\n END IF\n IF( STATUS .EQ. 0 )THEN\n MSG = ' Value for ' // TRIM( VAR_NAME ) // ': ' // TRIM( VAR_VALUE )\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n END IF\n\n END SUBROUTINE GET_ENV_STRING\n LOGICAL FUNCTION GET_ENV_FLAG( VAR_NAME, VAR_DESC, VAR_DEFAULT, STATUS )\n IMPLICIT NONE\n!arguments\n CHARACTER*(*), INTENT( IN ) :: VAR_NAME\n CHARACTER*(*), INTENT( IN ) :: VAR_DESC\n LOGICAL, INTENT( IN ) :: VAR_DEFAULT\n INTEGER, INTENT( OUT ) :: STATUS \n!local\n CHARACTER( 586 ) :: MSG ! Message text\n CHARACTER( 1 ) :: VAR_VALUE\n CHARACTER( 5 ) :: REPLY\n\n CALL GET_ENVIRONMENT_VARIABLE( NAME=VAR_NAME, VALUE= VAR_VALUE, STATUS=STATUS, TRIM_NAME=.TRUE.)\n\n IF( STATUS .LT. 0 ) THEN\n MSG = 'ERROR in environment value for ' // TRIM( VAR_NAME )\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n STATUS = 1\n ELSE IF( STATUS .EQ. 1 )THEN\n STATUS = -1\n GET_ENV_FLAG = VAR_DEFAULT\n WRITE(LOGDEV,' (A,L)')'Environment Variable '\n & // TRIM( VAR_NAME ) // ' missing.'\n & // ' Using default value of ',VAR_DEFAULT\n STATUS = -1\n ELSE IF( STATUS .GT. 1 )THEN\n STATUS = 1\n MSG = 'ERROR in environment value for ' // TRIM( VAR_NAME )\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n MSG = 'ERROR Processor does not support environment variables '\n WRITE(LOGDEV,'(a)')\n ELSE\n STATUS = 0 \n IF( VAR_VALUE(1:1) .EQ. 'T' .OR. VAR_VALUE(1:1) .EQ. 'Y' )THEN\n GET_ENV_FLAG = .TRUE.\n ELSE IF( VAR_VALUE(1:1) .EQ. 't' .OR. VAR_VALUE(1:1) .EQ. 'y' )THEN\n GET_ENV_FLAG = .TRUE.\n ELSE IF( VAR_VALUE(1:1) .EQ. 'F' .OR. VAR_VALUE(1:1) .EQ. 'N' )THEN\n GET_ENV_FLAG = .FALSE.\n ELSE IF( VAR_VALUE(1:1) .EQ. 'f' .OR. VAR_VALUE(1:1) .EQ. 'n' )THEN\n GET_ENV_FLAG = .FALSE.\n ELSE \n WRITE(LOGDEV,' (A,L)')'Environment Variable '\n & // TRIM( VAR_NAME ) // ' must equal T, Y, F, or N.'\n & // ' Using default value of ',VAR_DEFAULT\n STATUS = -1\n GET_ENV_FLAG = VAR_DEFAULT\n END IF\n END IF\n IF( STATUS .EQ. 0 )THEN\n IF( GET_ENV_FLAG )THEN\n REPLY = 'TRUE '\n ELSE\n REPLY = 'FALSE'\n END IF\n WRITE(MSG,'(a,L1,a)')' Value for ' // TRIM( VAR_NAME ) // ': ',GET_ENV_FLAG,\n & ' returning ' // REPLY\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n END IF \n\n END FUNCTION GET_ENV_FLAG\n INTEGER FUNCTION GET_ENV_INT( VAR_NAME, VAR_DESC, VAR_DEFAULT, STATUS )\n IMPLICIT NONE\n!arguments\n CHARACTER*(*), INTENT( IN ) :: VAR_NAME\n CHARACTER*(*), INTENT( IN ) :: VAR_DESC\n INTEGER, INTENT( IN ) :: VAR_DEFAULT\n INTEGER, INTENT( OUT ) :: STATUS \n!local\n CHARACTER( 120 ) :: MSG ! Message text\n CHARACTER( 120 ) :: VAR_VALUE\n CHARACTER( 5 ) :: REPLY\n \n INTEGER :: READ_VALUE\n\n CALL GET_ENVIRONMENT_VARIABLE( NAME=VAR_NAME, VALUE= VAR_VALUE, STATUS=STATUS, TRIM_NAME=.TRUE.)\n\n IF( STATUS .LT. 0 ) THEN\n MSG = 'ERROR in environment value for ' // TRIM( VAR_NAME )\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n STATUS = 1\n ELSE IF( STATUS .EQ. 1 )THEN\n STATUS = -1\n GET_ENV_INT = VAR_DEFAULT\n WRITE(LOGDEV,' (A,I8)')'Environment Variable '\n & // TRIM( VAR_NAME ) // ' missing.'\n & // ' Using default value of ',VAR_DEFAULT\n ELSE IF( STATUS .GT. 1 )THEN\n STATUS = 1\n MSG = 'ERROR in environment value for ' // TRIM( VAR_NAME )\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n MSG = 'ERROR Processor does not support environment variables '\n WRITE(LOGDEV,'(a)')\n ELSE\n STATUS = 0 \n READ(VAR_VALUE , *)READ_VALUE\n GET_ENV_INT = READ_VALUE\n WRITE(MSG,'(a,I8)')' Value for ' // TRIM( VAR_NAME ) // ': ',\n & GET_ENV_INT\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n END IF\n\n END FUNCTION GET_ENV_INT\n REAL FUNCTION GET_ENV_REAL( VAR_NAME, VAR_DESC, VAR_DEFAULT, STATUS )\n IMPLICIT NONE\n!arguments\n CHARACTER*(*), INTENT( IN ) :: VAR_NAME\n CHARACTER*(*), INTENT( IN ) :: VAR_DESC\n REAL, INTENT( IN ) :: VAR_DEFAULT\n INTEGER, INTENT( OUT ) :: STATUS \n!local\n CHARACTER( 120 ) :: MSG ! Message text\n CHARACTER( 120 ) :: VAR_VALUE\n CHARACTER( 5 ) :: REPLY\n\n CALL GET_ENVIRONMENT_VARIABLE( NAME=VAR_NAME, VALUE= VAR_VALUE, STATUS=STATUS, TRIM_NAME=.TRUE.)\n\n IF( STATUS .LT. 0 ) THEN\n MSG = 'ERROR in environment value for ' // TRIM( VAR_NAME )\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n STATUS = 1\n ELSE IF( STATUS .EQ. 1 )THEN\n STATUS = -1\n GET_ENV_REAL = VAR_DEFAULT\n WRITE(LOGDEV,' (A,ES13.6)')'Environment Variable '\n & // TRIM( VAR_NAME ) // ' missing.'\n & // ' Using default value of ',VAR_DEFAULT\n ELSE IF( STATUS .GT. 1 )THEN\n STATUS = 1\n MSG = 'ERROR in environment value for ' // TRIM( VAR_NAME )\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n MSG = 'ERROR Processor does not support environment variables '\n WRITE(LOGDEV,'(a)')\n ELSE\n STATUS = 0 \n READ(VAR_VALUE,*)GET_ENV_REAL\n WRITE(MSG,'(a,ES12.4)')' Value for ' // TRIM( VAR_NAME ) // ': ',\n & GET_ENV_REAL\n WRITE(LOGDEV,'(a)')TRIM( MSG )\n END IF\n\n END FUNCTION GET_ENV_REAL\n SUBROUTINE GET_DDMONYY(DATE)\n\n IMPLICIT NONE\n CHARACTER(*), INTENT(INOUT) :: DATE\n\n CHARACTER( 2 ) :: DD\n CHARACTER( 3 ) :: MONS(1:12)\n CHARACTER( 4 ) :: YYYY\n INTEGER :: STIME, VALUES(8)\n\n MONS = (/'Jan','Feb','Mar','Apr','May','Jun',\n & 'Jul','Aug','Sep','Oct','Nov','Dec' /)\n\n CALL DATE_AND_TIME(VALUES=VALUES)\n\n WRITE( DD,'(I2)') VALUES(3)\n! DD = '00' \n WRITE(YYYY,'(I4)') (0 + VALUES(1))\n\n PRINT*,MONS(VALUES(2)) // DD // YYYY(1:4) \n DATE = MONS(VALUES(2)) // ' ' // DD // ', ' // YYYY(1:4)\n\n END SUBROUTINE GET_DDMONYY\n INTEGER FUNCTION NAME_INDEX( NAME, N_NAMES, NAMES )\n IMPLICIT NONE\n \n CHARACTER(*), INTENT( IN ) :: NAME\n CHARACTER(*), INTENT( IN ) :: NAMES( : )\n INTEGER, INTENT( IN ) :: N_NAMES\n\n INTEGER :: N,M\n\n NAME_INDEX = 0\n\n M = SIZE( NAMES )\n IF( M .LT. 1 )RETURN\n\n DO N = 1, M\n IF( NAME .EQ. NAMES( N ) )THEN\n NAME_INDEX = N\n RETURN\n END IF\n END DO\n RETURN\n END FUNCTION NAME_INDEX\n SUBROUTINE GET_ENVLIST ( ENV_VAR, NVARS, VAL_LIST, STATUS )\n\nC get a list env var (quoted string of items delimited by white space,\nC commas or semi-colons) and parse out the items into variables. Two data\nC types: character strings and integers (still represented as strings in\nC the env var vaules).\nC Examples:\nC 1) setenv AVG_CONC_VARS \"O3 NO NO2\"\nC 2) setenv AVG_CONC_LAYS \"2 5\" < start at two, end at 5\nC 3) setenv NPCOLSXNPROWS \"4 3\"\nC 4) setenv BCOL_ECOL \"3 8\"\nC 5) setenv BROW_EROW \"2 10\"\nC 6) setenv BLAY_ELAY \"1 5\"\n\nC In example (1), not only parse out the named items \"O3\", \"NO\" and \"NO2\",\nC but also obtain the count on the number of itmes (=3).\n\n! Revision: 2013/02/11 David Wong: increased the max env var length from 256 to 1000\n! 13 Dec 2013 J.Young: 1000 breaks BUFLEN in IOAPI's envgets.c. Change to 512.\n! 17 Jun 2016 J.Young: IOAPI's envgets.c BUFLEN has been increased to 10000.\n! 20 Jun 2016 J.Young: Forget IOAPI's envgets.c: use Fortran GETENV\n! 16 Mar 2018 B.Hutzell: Removed IOAPI, changed from GOTO to Do loop, and \n! from GETENV to GET_ENVIRONMENT_VARIABLE intrinsic\n IMPLICIT NONE\n \n CHARACTER( * ), INTENT ( IN ) :: ENV_VAR\n INTEGER, INTENT ( OUT ) :: NVARS\n CHARACTER( * ), INTENT ( OUT ) :: VAL_LIST( : )\n INTEGER, INTENT ( OUT ) :: STATUS \n \n INTEGER :: MAX_LEN \n INTEGER :: LEN_EVAL\n CHARACTER( 16 ) :: PNAME = 'GET_ENVLIST'\n CHARACTER( 1 ) :: CHR\n CHARACTER( 132) :: XMSG\n\n CHARACTER( MAX_LEN_WORD*SIZE( VAL_LIST ) ) :: E_VAL\n \n INTEGER :: JP( MAX_LEN_WORD*SIZE( VAL_LIST ) )\n INTEGER :: KP( MAX_LEN_WORD*SIZE( VAL_LIST ) )\n INTEGER :: IP, V\n \n MAX_LEN = MAX_LEN_WORD * ( SIZE( VAL_LIST ) + 1 ) ! multiple by 17 to allow deliminator\nC env_var_name\nC | env_var_value\nC | |\n! CALL GETENV( ENV_VAR, E_VAL )\nC env_var_name\nC | env_var_value\nC | |\n CALL GET_ENVIRONMENT_VARIABLE( NAME=ENV_VAR, VALUE=E_VAL, STATUS=STATUS, TRIM_NAME=.TRUE.)\n IF( STATUS .LT. 0 ) THEN\n XMSG = 'ERROR in environment value for ' // TRIM( ENV_VAR )\n WRITE(LOGDEV,'(a)')TRIM( XMSG )\n STATUS = 1\n STOP \n ELSE IF( STATUS .EQ. 1 )THEN\n STATUS = -1\n RETURN\n ELSE IF( STATUS .GT. 1 )THEN\n STATUS = 1\n XMSG = 'ERROR in environment value for ' // TRIM( ENV_VAR )\n WRITE(LOGDEV,'(a)')TRIM( XMSG )\n XMSG = 'ERROR Processor does not support environment variables '\n WRITE(LOGDEV,'(a)')\n STOP\n END IF\n \n IF ( E_VAL .EQ. \" \" ) THEN\n STATUS = 1\n XMSG = 'Environment variable ' // ENV_VAR // ' not set'\n WRITE(LOGDEV,'(A,I8)')TRIM( XMSG ), SIZE( VAL_LIST )\n NVARS = 0\n RETURN\n END IF\n STATUS = 0\n\nC Parse:\n\n NVARS = 1\n\nC don't count until 1st char in string\n \n IP = 0\n LEN_EVAL = LEN_TRIM( E_VAL ) \n IF ( LEN_EVAL .GT. MAX_LEN ) THEN\n XMSG = TRIM( PNAME ) // ': The Environment variable, '\n & // TRIM( ENV_VAR ) // ', has too long, greater than ' \n WRITE(LOGDEV,'(A,I8)')TRIM( XMSG ), MAX_LEN\n STOP\n END IF\n101 LOOP_101: DO ! read list\n IP = IP + 1\n IF ( IP .GT. LEN_EVAL ) EXIT LOOP_101\n CHR = E_VAL( IP:IP )\n IF ( CHR .EQ. ' ' .OR. ICHAR ( CHR ) .EQ. 09 ) CYCLE LOOP_101\n IF( NVARS .GT. SIZE( VAL_LIST ) )THEN\n XMSG = TRIM( PNAME ) // ':ERROR: Number of values in List, ' \n & // TRIM( ENV_VAR ) \n & // ', greater than the size of its storage array, '\n WRITE(LOGDEV,'(A,I4)')TRIM( XMSG ), SIZE( VAL_LIST )\n STOP \n END IF\n JP( NVARS ) = IP ! 1st char \n201 LOOP_201: DO ! read word\n IP = IP + 1\n IF ( IP .GT. LEN_EVAL ) EXIT LOOP_101\n CHR = E_VAL( IP:IP )\n IF ( CHR .NE. ' ' .AND.\n & CHR .NE. ',' .AND.\n & CHR .NE. ';' .OR.\n & ICHAR ( CHR ) .EQ. 09 ) THEN ! 09 = horizontal tab\n CYCLE LOOP_201\n ELSE ! last char in word\n V = JP( NVARS ) - KP( NVARS ) + 1\n KP( NVARS ) = IP - 1 \n IF( V .GT. MAX_LEN_WORD )THEN\n XMSG = 'The word, ' // E_VAL( JP(NVARS):KP(NVARS) ) \n & // ', in environment list, ' // TRIM( ENV_VAR )\n & // ', is too long, greater than '\n WRITE(LOGDEV,'(A,I2)')TRIM( XMSG ), MAX_LEN_WORD\n STOP\n END IF\n NVARS = NVARS + 1\n EXIT LOOP_201\n END IF \n END DO LOOP_201\n END DO LOOP_101\n \n NVARS = NVARS - 1\n IF( NVARS .GT. SIZE( VAL_LIST ) )THEN\n XMSG = TRIM( PNAME ) // ':ERROR: Number of values in List, ' \n & // TRIM( ENV_VAR ) // ', greater than '\n WRITE(LOGDEV,'(A,I4)')TRIM( XMSG ), SIZE( VAL_LIST )\n STOP \n END IF\n \n DO V = 1, NVARS\n VAL_LIST( V ) = E_VAL( JP( V ):KP( V ) )\n END DO\n\n RETURN \n END SUBROUTINE GET_ENVLIST \n INTEGER FUNCTION JUNIT ()\n\nC JUNIT uses an internal INQUIRE call to determine if a unit number is\nC currently attached to a file.\nC In the call INQUIRE(UNIT = IUN, NAMED = NMD), NMD is .TRUE. if unit (IUN)\nC is connected to a file with a name, else it is .FALSE.\n\n IMPLICIT NONE\n \n INTEGER, PARAMETER :: LUNOUT = 6\n INTEGER, PARAMETER :: MAXUN = 99\n INTEGER, SAVE :: IUN\n LOGICAL NMD\n LOGICAL, SAVE :: AVAIL( MAXUN ) = .TRUE. ! array\n INTEGER, SAVE :: IGO = 1\n \n GO TO ( 10001, 20001 ) IGO\n10001 CONTINUE\n\nC set unit numbers that are not available for I/O\n AVAIL( 1 ) = .FALSE.\n AVAIL( 5 ) = .FALSE.\n AVAIL( 6 ) = .FALSE.\n\nC begin loop on unit numbers\n IUN = 10\n10100 CONTINUE\n IF ( IUN .GT. MAXUN ) GO TO 30100\n INQUIRE ( UNIT = IUN, NAMED = NMD )\n IF ( NMD ) THEN\n AVAIL( IUN ) = .FALSE.\n GO TO 20100\n ELSE IF ( .NOT. AVAIL( IUN ) ) THEN\n GO TO 20100\n END IF\n JUNIT = IUN\n AVAIL( IUN ) = .FALSE.\n \n IGO = 2\n RETURN\n20001 CONTINUE\n \n20100 CONTINUE\n IUN = IUN + 1\n GO TO 10100\n \n30100 CONTINUE\n WRITE( LUNOUT,2001 )\n2001 FORMAT( / 1X, '*** ERROR ABORT in JUNIT ***' /\n & 1X, 'No more unit numbers available for I/O' )\n WRITE( LUNOUT,2003 ) ( IUN, AVAIL( IUN ), IUN = 1, MAXUN )\n2003 FORMAT( 1X, 'Available unit numbers are: ' /\n & 3( 1X, 20( I2, '-', L1, 2X) / ) )\n STOP\n END FUNCTION JUNIT \n***********************************************************************\n SUBROUTINE JULIAN_YEAR_MONTH_DAY (JULDAY,YEAR,MONTH,DAY)\n\nc input year, month, day\nc input julian_date day (julday), year fraction (yrfrac)\n\n IMPLICIT NONE\n INTEGER, INTENT( IN ) :: JULDAY\n INTEGER, INTENT( INOUT ) :: YEAR, DAY, MONTH\n \n INTEGER JDAY,YRLENGTH,LEAP,M4,M100,M400,\n & I, J\n \n INTEGER, SAVE :: DAYTAB(13,2) \n \n DATA ( DAYTAB(I,1), I = 1, 13 ) /\n & 0,31,28,31,30,31,30,31,31,30,31,30,31 /\n DATA ( DAYTAB(I,2), I = 1, 13 ) / \n & 0,31,29,31,30,31,30,31,31,30,31,30,31 /\n \n LOGICAL, SAVE :: INITIALIZE = .TRUE.\n \n \n IF ( INITIALIZE ) THEN\n DO I = 1, 2\n DO J = 2, 13\n DAYTAB(J,I) = DAYTAB(J,I) + DAYTAB(J-1,I)\n END DO\n END DO\n INITIALIZE = .FALSE.\n END IF\n \n LEAP = 1\n YRLENGTH = 365\n YEAR = INT(JULDAY/1000)\n JDAY = JULDAY - 1000*YEAR\n \n M4 = MOD(YEAR,4 )\n M100 = MOD(YEAR,100)\n M400 = MOD(YEAR,400)\n IF(((M4.EQ.0).AND.(M100.NE.0)).OR.(M400.EQ.0))THEN\n LEAP = 2\n YRLENGTH = 366\n ENDIF\n \n DO I= 2, 13\n IF( JDAY .GT. DAYTAB(I-1,LEAP) .AND. JDAY .LE. DAYTAB(I,LEAP) )THEN\n MONTH = I-1\n DAY = JDAY - DAYTAB(I-1,LEAP)\n EXIT\n END IF\n END DO \n \n RETURN\n END SUBROUTINE JULIAN_YEAR_MONTH_DAY\n END MODULE GET_ENV_VARS\n" }, { "path": "UTIL/jproc/src/common/o3scal.f", "content": "\n!-----------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies!\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!-----------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/JPROC/src/driver/jproc_table/o3scal.f,v 1.5 2011/10/29 01:03:53 sjr Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC @(#)o3scal.F\t1.1 /project/mod3/JPROC/src/driver/jproc_table/SCCS/s.o3scal.F 23 May 1997 12:44:20\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE O3SCAL ( O3, HO3, XLAT, DOBNEW )\n\nC*********************************************************************\nC\nC adjustment of O3 profiles to a user-selected dobson value.\nC select value of DOBNEW in main program\nC if don't want to use, don't call this subroutine\nC\nC*********************************************************************\n\n IMPLICIT NONE\n \n INCLUDE 'JVALPARMS.EXT' ! jproc parameters\n\nC...........ARGUMENTS and their descriptions\n\n REAL O3( MXLEV ) ! ozone profile\n REAL HO3 ! ozone scale height\n REAL XLAT ! latitudinal band\n REAL DOBNEW ! new dobson unit\n\nC...........LOCAL VARIABLES and their descriptions:\n\n LOGICAL, SAVE :: FIRSTTIME = .TRUE.\n \n INTEGER I ! level index\n \n REAL DOBSREF ! reference dobson unit\n REAL SCALE_FACTOR\n \nC*********************************************************************\nC begin body of subroutine O3SCAL2\n\n IF ( FIRSTTIME ) THEN\n FIRSTTIME = .FALSE.\n WRITE ( 6, 2001 )\n END IF\n\nC...convert O3 value into DU\n\n DOBSREF = O3( MXLEV ) * 1.0E5 * HO3\n DO I = 1, MXLEV\n DOBSREF = DOBSREF + O3( I ) * 1.0E5\n END DO\n DOBSREF = DOBSREF / 2.687E16\n\nC...apply scale factor to O3 profile if a non-zero TOC value provided\n\n IF ( DOBNEW .GT. 0.0 ) THEN\n SCALE_FACTOR = DOBNEW / DOBSREF\n WRITE( 6, 2003 ) XLAT, DOBSREF, DOBNEW, SCALE_FACTOR\n DO I = 1, MXLEV\n O3( I ) = O3( I ) * SCALE_FACTOR\n END DO\n ELSE\n WRITE( 6, 2005 ) XLAT, DOBSREF\n END IF\n\nC...formats\n\n2001 FORMAT( 1X, 'Rescaling O3 profile based on TOC data' )\n2003 FORMAT( 7X, 'Latitude:', 1X, F5.1, ', oldDOBS=', F9.4, ', newDOBS=',\n & F9.4, ', scale factor=', F7.4 )\n2005 FORMAT( 7X, 'Latitude:', 1X, F5.1, ', DOBS=', F9.4, ', not rescaled' )\n\n RETURN\n END\n" }, { "path": "UTIL/jproc/src/common/optics.f", "content": "\n!-----------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies!\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!-----------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/JPROC/src/driver/jproc_table/optics.f,v 1.5 2011/10/29 01:03:53 sjr Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC @(#)optics.F\t1.1 /project/mod3/JPROC/src/driver/jproc_table/SCCS/s.optics.F 23 May 1997 12:44:21\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE OPTICS ( NWL, COSZEN, ENDIR, ENDN, ENUP,\n & VAIR, ARAYL, GRAY, OMRAY, AO2, VO3, AO3,\n & VCLD, GCLD, OMCLD, VAER, AAER, GAER, OMAER,\n & ALBEDO, NLAYER, NLEVEL, NSURF )\n\nC*********************************************************************\nC\nC This subroutine prepares the data needed for the flux calculation,\nC then calls the scattering subroutine DELTED. It returns values of\nC the flux FLUX(LEV,IWL) for altitude LEV-1, wavelength IWL.\nC It calculates the optical depths (vertical)\nC for each layer, from the vertical profiles of O2, O3,\nC air, cloud, and aerosol, and from the associated \"cross sections\nC\nC*********************************************************************\n\n IMPLICIT NONE\n\nC...........PARAMETERS and their descriptions\n\n INTEGER, PARAMETER :: MXWL = 130 ! number of wavelength bands\n INTEGER, PARAMETER :: NJ = 200 ! maximum levels\n\nC...........ARGUMENTS and their descriptions\n\n INTEGER NLAYER ! total # of atm layers\n INTEGER NLEVEL ! number of levels\n INTEGER NSURF ! ground elev above sea level\n INTEGER NWL ! number of wl bands\n \n REAL COSZEN ! cosine zenith angle\n REAL GAER ! aerosol asymetry factor\n REAL GCLD ! cloud asymetry factor\n REAL GRAY ! asymetry fact for Rayleigh scat\n REAL OMAER ! aerosol single scat albedo\n REAL OMCLD ! cloud single scat cross sect\n REAL OMRAY ! single scat albedo, Rayleigh\n REAL VAER( NJ ) ! aerosol column in layer\n REAL VAIR( NJ ) ! air column in layer\n REAL VCLD( NJ ) ! cloud column in layer\n REAL VO3 ( NJ ) ! ozone column in layer\n REAL AAER ( MXWL ) ! aerosol total vert opt depth\n REAL ALBEDO( MXWL ) ! ground albedo\n REAL ARAYL ( MXWL ) ! Rayleigh scat cross section\n REAL AO2 ( NJ, MXWL ) ! O2 cross section\n REAL AO3 ( NJ, MXWL ) ! average O3 cross sect in layer\n REAL ENDIR( NJ, MXWL ) ! direct flux\n REAL ENDN ( NJ, MXWL ) ! diffuse down-flux\n REAL ENUP ( NJ, MXWL ) ! diffuse up-flux\n\nC...........LOCAL VARIABLES and their descriptions:\n\n INTEGER II ! layer index\n INTEGER IWL ! wavelength index\n INTEGER LAY ! layer index\n INTEGER LEV ! level index\n INTEGER NZ ! number of levels above sfc\n\n REAL DTABS ! sum of O2 & O3 absorption\n REAL DTAER ! aerosol scattering\n REAL DTAIR ! air scattering\n REAL DTCLD ! cloud column\n REAL DTO2 ! O2 absorption\n REAL DTO3 ! ozone absorption\n REAL DTSCAT ! total scattering \n REAL DTAU( NJ ) ! optical depth of layer\n REAL EDIR( NJ ) ! irradiance of direct solar beam\n REAL EDN ( NJ ) ! irradiance of down-welling diffuse light\n REAL EUP ( NJ ) ! irradiance of up-welling diffuse light\n REAL FDIR( NJ ) ! direct actinic flux\n REAL FDN ( NJ ) ! downward actinic flux\n REAL FUP ( NJ ) ! upward actinic flux\n REAL G ( NJ ) ! asymmetry factor for layer\n REAL OM ( NJ ) ! single-scat albedo of layer\n\nC*********************************************************************\nC begin body of subroutine RTLINK\n\nC...loop over wavelengths\n\n DO 301 IWL = 1, NWL\n\nC...calculate optical depths for all layers (including cloud sublayers)'\n\n DO LAY = NSURF, NLAYER\n II = NLAYER + 1 - LAY\n DTAIR = VAIR( LAY ) * ARAYL( IWL )\n DTO2 = 0.2095 * VAIR( LAY ) * AO2( LAY, IWL )\n DTO3 = VO3( LAY ) * AO3( LAY, IWL )\n DTCLD = VCLD( LAY )\n DTAER = VAER( LAY ) * AAER( IWL )\n\n DTSCAT = DTAIR + DTCLD * OMCLD + DTAER * OMAER\n DTABS = DTO2 + DTO3 + DTCLD * ( 1.0 - OMCLD )\n & + DTAER * ( 1.0 - OMAER )\n DTABS = AMAX1( DTABS, 1.0E-36 )\n DTSCAT = AMAX1( DTSCAT, 1.0E-36 )\n\n DTAU( II ) = DTABS + DTSCAT\n OM ( II ) = DTSCAT / ( DTSCAT + DTABS )\n G ( II ) = ( GCLD * DTCLD * OMCLD\n & + GAER * DTAER * OMAER )\n & / DTSCAT\n END DO\n\nC...initialize fluxes and other DELTED parameters\n\n NZ = NLEVEL - NSURF + 1\n\n DO II = 1, NJ\n FDIR( II ) = 0.0\n FUP ( II ) = 0.0\n FDN ( II ) = 0.0\n EDIR( II ) = 0.0\n EUP ( II ) = 0.0\n EDN ( II ) = 0.0\n END DO\n\n CALL TWOSTR ( NZ, COSZEN, ALBEDO( IWL ), DTAU, OM, G,\n & FDIR, FUP, FDN, EDIR, EUP, EDN )\n\nC...return to upright grid\n\n DO II = 1, NLEVEL - NSURF + 1\n LEV = NLEVEL + 1 - II\n ENDIR( LEV, IWL ) = FDIR( II )\n ENDN ( LEV, IWL ) = FDN ( II )\n ENUP ( LEV, IWL ) = FUP ( II )\n END DO\n\n301 CONTINUE\n\n RETURN\n END\n" }, { "path": "UTIL/jproc/src/common/pntavg.f", "content": "\n!-----------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies!\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!-----------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/JPROC/src/driver/jproc_table/pntavg.f,v 1.4 2011/10/29 01:03:53 sjr Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC @(#)pntavg.F\t1.1 /project/mod3/JPROC/src/driver/jproc_table/SCCS/s.pntavg.F 23 May 1997 12:44:22\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE PNTAVG ( WLIN, CQIN, NWLIN,\n & WLOUT1, WLOUT2, CQOUT, NWLOUT )\n \nC*********************************************************************\nC\nC This program computes the integrated average data for the ET\nC extra terrestrial irradiance wavelength intervals\nC\nC History:\nC S.Roselle 6/5/95 Program created\nC\nC*********************************************************************\n\n IMPLICIT NONE \n \n INCLUDE 'JVALPARMS.EXT' ! jproc parameters\n\nC...........ARGUMENTS and their descriptions\n\n INTEGER NWLOUT ! number of intervals ETin\n INTEGER NWLIN ! number of intervals CQin\n\n REAL WLIN( MXWLIN ) ! wl of CQin\n REAL CQIN( MXWLIN ) ! quantity (CS or QY) as f(WLIN)\n REAL WLOUT1( MXWL ) ! lower limit on wl int ETin\n REAL WLOUT2( MXWL ) ! upper limit on wl int ETin\n REAL CQOUT ( MXWL ) ! quantity (CS or QY) as f(WLOUT)\n\nC...........LOCAL VARIABLES and their descriptions:\n \n INTEGER I ! index var\n INTEGER J ! index var\n INTEGER MXWLPT ! pointer\n INTEGER MNWLPT ! pointer\n \n REAL DWLIN ! wl int for CQin\n REAL CQA ! lower cq value\n REAL CQB ! upper cq value\n\nC*********************************************************************\nC...begin body of subroutine INTAVG\n\nC...loop through wavelength intervals for output arrays\n\n DO I = 1, NWLOUT\n\nC...find lower limit on input array\n\n MNWLPT = 1\n DO J = 1, NWLIN\n IF ( WLIN( J ) .LE. WLOUT1( I ) ) MNWLPT = J\n END DO\n\nC...find upper limit on input array\n\n MXWLPT = NWLIN\n DO J = NWLIN, 1, -1\n IF ( WLIN( J ) .GE. WLOUT2( I ) ) MXWLPT = J\n END DO\n\nC...initialize output arrays\n\n CQOUT( I ) = 0.0\n\nC...loop through the valid wavelength intervals\n\n DO J = MNWLPT, MXWLPT \n\nC...determine weighting fraction for the wavelength interval\n\n IF ( WLOUT1( I ) .LE. WLIN( J ) ) THEN\n \n IF ( WLOUT2( I ) .EQ. WLIN( J+1 ) ) THEN\n DWLIN = WLIN( J+1 ) - WLIN( J )\n CQA = CQIN( J )\n CQB = CQIN( J+1 )\n ELSE IF ( WLOUT2( I ) .LT. WLIN( J+1 ) ) THEN\n DWLIN = WLOUT2( I ) - WLIN( J )\n CQA = CQIN( J )\n CQB = ( CQIN( J+1 ) - CQIN( J ) )\n & / ( WLIN( J+1 ) - WLIN( J ) )\n & * ( WLOUT2( I ) - WLIN( J ) ) + CQIN( J )\n ELSE IF ( WLOUT2( I ) .GT. WLIN( J+1 ) ) THEN\n DWLIN = WLIN( J+1 ) - WLIN( J )\n CQA = CQIN( J )\n CQB = CQIN( J+1 )\n END IF\n \n ELSE IF ( WLOUT1( I ) .GT. WLIN( J ) ) THEN\n\n IF ( WLOUT2( I ) .EQ. WLIN( J+1 ) ) THEN\n DWLIN = WLIN( J+1 ) - WLOUT1( I )\n CQA = ( CQIN( J+1 ) - CQIN( J ) )\n & / ( WLIN( J+1 ) - WLIN( J ) )\n & * ( WLOUT1( I ) - WLIN( J ) ) + CQIN( J )\n CQB = CQIN( J+1 )\n ELSE IF ( WLOUT2( I ) .LT. WLIN( J+1 ) ) THEN\n DWLIN = WLOUT2( I ) - WLOUT1( I )\n CQA = ( CQIN( J+1 ) - CQIN( J ) )\n & / ( WLIN( J+1 ) - WLIN( J ) )\n & * ( WLOUT1( I ) - WLIN( J ) ) + CQIN( J )\n CQB = ( CQIN( J+1 ) - CQIN( J ) )\n & / ( WLIN( J+1 ) - WLIN( J ) )\n & * ( WLOUT2( I ) - WLIN( J ) ) + CQIN( J )\n ELSE IF ( WLOUT2( I ) .GT. WLIN( J+1 ) ) THEN\n DWLIN = WLIN( J+1 ) - WLOUT1( I )\n CQA = ( CQIN( J+1 ) - CQIN( J ) )\n & / ( WLIN( J+1 ) - WLIN( J ) )\n & * ( WLOUT1( I ) - WLIN( J ) ) + CQIN( J )\n CQB = CQIN( J+1 )\n END IF\n \n END IF\n\nC...set wavelength interval fraction\n\n DWLIN = AMAX1 ( DWLIN / ( WLOUT2( I ) - WLOUT1( I ) ), 0.0 )\n\nC...add weighted quantity to output arrays\n\n CQOUT( I ) = CQOUT( I ) + 0.5 * ( CQA + CQB ) * DWLIN\n\n END DO\n\n END DO\n \n RETURN\n END\n" }, { "path": "UTIL/jproc/src/common/readcsqy.F", "content": "\n!-----------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies!\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!-----------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/JPROC/src/driver/jproc_table/readcsqy.F,v 1.7 2011/12/08 16:41:35 sjr Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC @(#)readcsqy.F\t1.4 /project/mod3/JPROC/src/driver/jproc_table/SCCS/s.readcsqy.F 04 Jul 1997 09:39:29\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE READCSQY ( NWL, STWL, ENDWL, CS, QY )\n \nC*********************************************************************\nC\nC the subroutine readcsqy reads the absorption cross section/quantum\nC yield file(s). The input data are\nC\nC CS(nwl,NPHOTAB) - absorption cross sections for NR species.\nC QY(nwl,NPHOTAB) - quantum yields\nC\nC S.Roselle 1/30/96 Subroutine created, uses generalized method\nC for reading CS/QY data that ties in with the\nC chemistry mechanism reader.\nC S.Roselle 7/25/96 Revised subroutine to call INTAVG, passing\nC data type (e.g., point, centered,\nC beginning, and ending data)\nC\nC*********************************************************************\n\n USE GET_ENV_VARS\n USE RXNS_DATA\n\n IMPLICIT NONE\n\n INCLUDE 'JVALPARMS.EXT' ! jproc parameters\n\nC...........ARGUMENTS and their descriptions\n \n REAL STWL ( MXWL ) ! wavelength band lower limit\n REAL ENDWL( MXWL ) ! wavelength band upper limit\n REAL CS( MXWL, NPHOTAB ) ! output absorp. cross sections\n REAL QY( MXWL, NPHOTAB ) ! output quantum yields\n\nC...........LOCAL VARIABLES and their descriptions:\n\n CHARACTER(1) :: TYPE ! cs/qy spectra type\n CHARACTER(16) :: PNAME = 'READCSQY' ! program name\n CHARACTER(16) :: CQDIR = 'CSQY' ! directory for CSQY data\n CHARACTER(16) :: PHOTID ! reaction id's\n CHARACTER(80) :: MSG = ' ' ! message\n CHARACTER(255) :: CQFILE ! input filename buffer\n CHARACTER(255) :: EQNAME\n\n INTEGER IWL ! wavelength index\n INTEGER NWL ! # of wlbands\n INTEGER NWLIN ! # of wlbands (infile)\n INTEGER IPHOT ! reaction index\n INTEGER CQUNIT ! cross section/qy io unit\n INTEGER IOST ! io status\n\n REAL FACTOR ! multiplying factor for CS\n REAL WLIN ( MXWLIN ) ! wl for input cs/qy data\n REAL CSIN ( MXWLIN ) ! raw absorption cross sections\n REAL QYIN ( MXWLIN ) ! raw quantum yields\n REAL CSOUT( MXWL ) ! integrated absorp. cross sect.\n REAL QYOUT( MXWL ) ! integrated quantum yields\n\nC*********************************************************************\nC begin body of subroutine READCSQY\n\nC...get a unit number for CSQY files\n\n CQUNIT = JUNIT( )\n\nC...loop over the number of reactions, reading each file\n\n DO 801 IPHOT = 1, NPHOTAB\n\nC...open input file\n\n CQFILE = PHOTAB( IPHOT )\n CALL VALUE_NAME ( CQDIR, EQNAME )\n CQFILE = TRIM( EQNAME ) // '/' // TRIM( CQFILE )\n\n OPEN( UNIT = CQUNIT,\n & FILE = CQFILE,\n & STATUS = 'OLD',\n & IOSTAT = IOST )\n\nC...check for open errors\n\n IF ( IOST .NE. 0) THEN\n MSG = 'Could not open ' // PHOTAB( IPHOT ) // ' data file'\n WRITE(6,'(A)')TRIM( PNAME ) // ': ', TRIM( MSG )\n STOP\n END IF\n\n WRITE( 6, 2001 ) CQUNIT, CQFILE\n\nC...read photolysis subgroup id\n\n READ( CQUNIT, 1001, IOSTAT = IOST ) PHOTID\n\nC...check for read errors\n\n IF ( IOST .NE. 0) THEN\n MSG = 'Errors occurred while reading PHOTID for ' //\n & PHOTAB( IPHOT )\n WRITE(6,'(A)')TRIM( PNAME ) // ': ', TRIM( MSG )\n STOP\n END IF\n\nC...get type of data (e.g. centered, beginning, ending, or point wavelen\n\n101 CONTINUE\n\n READ( CQUNIT, 1003, IOSTAT = IOST ) TYPE\n\nC...check for read errors\n\n IF ( IOST .NE. 0) THEN\n MSG = 'Errors occurred while reading TYPE for ' //\n & PHOTAB( IPHOT )\n WRITE(6,'(A)')TRIM( PNAME ) // ': ', TRIM( MSG )\n STOP\n END IF\n\n IF ( TYPE .EQ. '!' ) GO TO 101\n\nC...read the factor to multiply cross sectionS by\n\n READ( CQUNIT, 1005, IOSTAT = IOST ) FACTOR\n\nC...check for read errors\n\n IF ( IOST .NE. 0) THEN\n MSG = 'Errors occurred while reading FACTOR for ' //\n & PHOTAB( IPHOT )\n WRITE(6,'(A)')TRIM( PNAME ) // ': ', TRIM( MSG )\n STOP\n END IF\n\nC...reinitialize arrays\n\n DO IWL = 1, MXWL\n WLIN( IWL ) = 0.0\n CSIN( IWL ) = 0.0\n QYIN( IWL ) = 0.0\n END DO\n\nC...loop over the number of wavelengths and continue reading\n\n IWL = 0\n201 CONTINUE\n\n IWL = IWL + 1\n READ( CQUNIT, *, IOSTAT = IOST ) WLIN( IWL ), CSIN( IWL ),\n & QYIN( IWL )\n CSIN( IWL ) = CSIN( IWL ) * FACTOR\n\nC...check for read errors\n\n IF ( IOST .GT. 0) THEN\n MSG = 'Errors occurred while reading WL,CS,QY for ' //\n & PHOTAB( IPHOT )\n WRITE(6,'(A)')TRIM( PNAME ) // ': ', TRIM( MSG )\n STOP\n END IF\n\nC...end loop if we reach EOF, otherwise continue looping\n\n IF ( IOST .EQ. 0 ) GO TO 201\n\nC...adjust loop counter index index and close file\n\n NWLIN = IWL - 1\n CLOSE( CQUNIT )\n\n WRITE( 6, 2003 ) NWLIN\n\nC...transform the cs data to the same wavelength intervals as\nC... the irradiance data.\n\n CALL INTAVG ( WLIN, CSIN, NWLIN, TYPE,\n & STWL, ENDWL, CSOUT, NWL )\n\nC...transform the qy data to the same wavelength intervals as\nC... the irradiance data.\n\n CALL INTAVG ( WLIN, QYIN, NWLIN, TYPE,\n & STWL, ENDWL, QYOUT, NWL )\n\nC...load output arrays with integrated data\n \n DO IWL = 1, NWL\n CS( IWL, IPHOT ) = CSOUT( IWL )\n QY( IWL, IPHOT ) = QYOUT( IWL )\n END DO\n\n801 CONTINUE\n\nC...formats\n\n1001 FORMAT( A16 )\n1003 FORMAT( A1 )\n1005 FORMAT( /, 4X, F10.1 )\n\n2001 FORMAT( 1X, '...Opening File on UNIT ', I2, /, 1X, A255 )\n2003 FORMAT( 1X, '...Data for ', I4, ' wavelengths read from file',\n & // )\n\n RETURN\n END\n" }, { "path": "UTIL/jproc/src/common/readet.f", "content": "\n!-----------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies!\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!-----------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/JPROC/src/driver/jproc_table/readet.f,v 1.5 2011/10/29 01:03:54 sjr Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC @(#)readet.F\t1.2 /project/mod3/JPROC/src/driver/jproc_table/SCCS/s.readet.F 04 Jul 1997 09:39:52\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE READET ( NWL, STWL, MIDWL, ENDWL, F )\n \nC*********************************************************************\nC\nC the subroutine readet reads the extra terrestrial radiation file.\nC The input data are:\nC\nC NWL - number of wavelength bands\nC STWL(mxwl) - array of nominal starting wavelengths of\nC spectral interval\nC MIDWL(mxwl) - array of nominal center wavelengths of\nC spectral interval\nC ENDWL(mxwl) - array of nominal ending wavelengths of\nC spectral interval\nC F(mxwl) - extraterrestrial solar irradiance\nC\nC*********************************************************************\n\n USE GET_ENV_VARS\n\n IMPLICIT NONE\n\n INCLUDE 'JVALPARMS.EXT' ! jproc parameters\n\nC...........ARGUMENTS and their descriptions\n \n REAL ENDWL( MXWL ) ! wavelength band upper limit\n REAL F ( MXWL ) ! extra-terrestrial radiation\n REAL MIDWL( MXWL ) ! wavelength midpoints\n REAL STWL ( MXWL ) ! wavelength band lower limit\n\nC...........LOCAL VARIABLES and their descriptions:\n\n CHARACTER(1) :: TYPE ! cs/qy spectra type\n CHARACTER(16) :: ETFILE = 'ET' ! ET i/o logical name\n CHARACTER(16) :: PNAME = 'READET' ! program name\n CHARACTER(80) :: MSG = ' ' ! message\n CHARACTER(255) :: EQNAME ! full name of ET file\n\n INTEGER ETUNIT ! extraterrestrial rad io unit\n INTEGER IOST ! io status\n INTEGER IWL ! wavelength index\n INTEGER NWL ! # of wlbands (infile)\n INTEGER NWLIN ! # of wlbands (infile)\n\n REAL FACTOR ! multiplying factor for F\n REAL WLIN( MXWLIN ) ! wl for input ET data\n\nC*********************************************************************\nC begin body of subroutine READET\n\nC...open and read the wavelength bands and extraterrestrial radiation\n\n CALL VALUE_NAME ( ETFILE, EQNAME )\n ETUNIT = JUNIT( )\n\n OPEN( UNIT = ETUNIT,\n & FILE = EQNAME,\n & STATUS = 'OLD',\n & IOSTAT = IOST )\n\nC...check for open errors\n\n IF ( IOST .NE. 0 ) THEN\n MSG = 'Could not open the ET data file'\n WRITE(6,'(A)')TRIM( PNAME ) // ': ', TRIM( MSG )\n STOP\n END IF\n\n WRITE( 6, 2001 ) ETUNIT, EQNAME\n\nC...get type of data (e.g. centered, beginning, ending wavelength\n\n101 CONTINUE\n\n READ( ETUNIT, 1003, IOSTAT = IOST ) TYPE\n\nC...check for read errors\n\n IF ( IOST .NE. 0 ) THEN\n MSG = 'Errors occurred while reading TYPE from ET file'\n WRITE(6,'(A)')TRIM( PNAME ) // ': ', TRIM( MSG )\n STOP\n END IF\n\n IF ( TYPE .EQ. '!' ) GO TO 101\n\nC...read the factor to multiply irradiance by\n\n READ( ETUNIT, 1005, IOSTAT = IOST ) FACTOR\n\nC...check for read errors\n\n IF ( IOST .NE. 0 ) THEN\n MSG = 'Errors occurred while reading FACTOR from ET file'\n WRITE(6,'(A)')TRIM( PNAME ) // ': ', TRIM( MSG )\n STOP\n END IF\n\nC...initialize arrays\n\n DO IWL = 1, MXWL\n WLIN( IWL ) = 0.0\n F ( IWL ) = 0.0\n END DO\n\nC...loop over the number of wavelengths and continue reading\n\n IWL = 0\n201 CONTINUE\n\nC...read the wavelength band data\n\n IWL = IWL + 1\n READ( ETUNIT, *, IOSTAT = IOST ) WLIN( IWL ), F( IWL )\n F( IWL ) = F( IWL ) * FACTOR\n\nC...check for read errors\n\n IF ( IOST .GT. 0 ) THEN\n MSG = 'Errors occurred while reading WL,F from ET file'\n WRITE(6,'(A)')TRIM( PNAME ) // ': ', TRIM( MSG )\n STOP\n END IF\n\nC...end loop if we reach EOF, otherwise continue looping\n\n IF ( IOST .EQ. 0 ) GO TO 201\n\nC...adjust loop counter index index and close file\n\n NWLIN = IWL - 1\n CLOSE( ETUNIT )\n\n WRITE( 6, 2003 ) NWLIN\n\nC...determine wl intervals for CENTERED WLBAND data\n\n IF ( TYPE .EQ. 'C' ) THEN\n\n NWL = NWLIN\n MIDWL( 1 ) = WLIN( 1 )\n STWL ( 1 ) = 0.5 * ( ( 3.0 * WLIN( 1 ) ) - WLIN( 2 ) )\n ENDWL( 1 ) = 0.5 * ( WLIN( 1 ) + WLIN( 2 ) )\n \n DO IWL = 2, NWLIN-1\n MIDWL( IWL ) = WLIN( IWL )\n STWL ( IWL ) = 0.5 * ( WLIN( IWL ) + WLIN ( IWL - 1 ) )\n ENDWL( IWL ) = 0.5 * ( WLIN( IWL ) + WLIN ( IWL + 1 ) )\n END DO\n\n MIDWL( NWL ) = WLIN( NWLIN )\n STWL ( NWL ) = 0.5 * ( WLIN( NWLIN - 1 ) + WLIN( NWLIN ) )\n ENDWL( NWL ) = 0.5 * ( ( 3.0 * WLIN( NWLIN ) )\n & - WLIN( NWLIN - 1 ) )\n\nC...determine wl intervals for BEGINNING WLBAND data\n\n ELSE IF ( TYPE .EQ. 'B' ) THEN\n\n NWL = NWLIN - 1\n\n DO IWL = 1, NWLIN - 1\n STWL ( IWL ) = WLIN( IWL )\n MIDWL( IWL ) = 0.5 * ( WLIN( IWL ) + WLIN( IWL + 1 ) )\n ENDWL( IWL ) = WLIN( IWL + 1 )\n END DO\n\nC...determine wl intervals for ENDING WLBAND data\n\n ELSE IF ( TYPE .EQ. 'E' ) THEN\n\n NWL = NWLIN - 1\n\n DO IWL = 2, NWLIN\n STWL ( IWL - 1 ) = WLIN( IWL - 1 )\n MIDWL( IWL - 1 ) = 0.5 * ( WLIN( IWL - 1 ) + WLIN( IWL ) )\n ENDWL( IWL - 1 ) = WLIN( IWL )\n END DO\n\nC...stop program if wavelength data type not found\n\n ELSE\n\n MSG = 'Unrecognized spectra type in ' // TRIM( EQNAME )\n WRITE(6,'(A)')TRIM( PNAME ) // ': ', TRIM( MSG )\n STOP\n\n END IF\n\nC...formats\n\n1001 FORMAT( A16 )\n1003 FORMAT( A1 )\n1005 FORMAT( /, 4X, F10.1 )\n\n2001 FORMAT( 1X, '...Opening File on UNIT ', I2, /, 1X, A255, / )\n2003 FORMAT( 1X, '...Data for ', I4, ' wavelengths read from file',\n & // )\n\n RETURN\n END\n" }, { "path": "UTIL/jproc/src/common/reado2.f", "content": "\n!-----------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies!\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!-----------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/JPROC/src/driver/jproc_table/reado2.f,v 1.5 2011/10/29 01:03:54 sjr Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC @(#)reado2.F\t1.2 /project/mod3/JPROC/src/driver/jproc_table/SCCS/s.reado2.F 04 Jul 1997 09:40:09\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE READO2 ( NWL, STWL, ENDWL, O2ABS )\n \nC*********************************************************************\nC\nC the subroutine reads the absorption cross section\nC The input data are\nC\nC O2ABS - absorption cross sections for molecular oxygen\nC\nC*********************************************************************\n\n USE GET_ENV_VARS\n\n IMPLICIT NONE\n\n INCLUDE 'JVALPARMS.EXT' ! jproc parameters\n\nC...........ARGUMENTS and their descriptions\n \n INTEGER NWL ! # of wlbands\n REAL ENDWL( MXWL ) ! wavelength band upper limit\n REAL O2ABS( MXWL ) ! output absorp. cross sections\n REAL STWL ( MXWL ) ! wavelength band lower limit\n\nC...........LOCAL VARIABLES and their descriptions:\n\n CHARACTER(1) :: TYPE ! cs spectra type\n CHARACTER(16) :: O2FILE = 'O2ABS' ! input filename buffer\n CHARACTER(16) :: PHOTID ! reaction id's\n CHARACTER(16) :: PNAME = 'READO2' ! program name\n CHARACTER(80) :: MSG = ' ' ! message\n CHARACTER(255) :: EQNAME\n\n INTEGER IOST ! i/o status\n INTEGER IWL ! wavelength index\n INTEGER NWLIN ! # of wlbands (infile)\n INTEGER O2UNIT ! cross section io unit\n\n REAL FACTOR ! multiplying factor for CS\n REAL CSOUT( MXWL ) ! integrated absorp. cross sect.\n REAL CSIN( MXWLIN ) ! raw absorption cross sections\n REAL WLIN( MXWLIN ) ! wl for input cs/qy data\n\nC*********************************************************************\nC begin body of subroutine\n\nC...get a unit number for CSQY files\n\n CALL VALUE_NAME ( O2FILE, EQNAME )\n O2UNIT = JUNIT( )\n\nC...open input file\n\n OPEN( UNIT = O2UNIT,\n & FILE = EQNAME,\n & STATUS = 'OLD',\n & IOSTAT = IOST )\n\nC...check for open errors\n\n IF ( IOST .NE. 0 ) THEN\n MSG = 'Could not open the O2ABS data file'\n WRITE(6,'(A)')TRIM( PNAME ) // ': ', TRIM( MSG )\n STOP\n END IF\n\n WRITE( 6, 2001 ) O2UNIT, EQNAME\n\nC...read photolysis subgroup id\n\n READ( O2UNIT, 1001, IOSTAT = IOST ) PHOTID\n\nC...check for read errors\n\n IF ( IOST .NE. 0 ) THEN\n MSG = 'Errors occurred while reading PHOTID from O2ABS file'\n WRITE(6,'(A)')TRIM( PNAME ) // ': ', TRIM( MSG )\n STOP\n END IF\n\nC...get type of data (e.g. centered, beginning, ending, or point wavelen\n\n101 CONTINUE\n\n READ( O2UNIT, 1003, IOSTAT = IOST ) TYPE\n\nC...check for read errors\n\n IF ( IOST .NE. 0 ) THEN\n MSG = 'Errors occurred while reading TYPE from O2ABS file'\n WRITE(6,'(A)')TRIM( PNAME ) // ': ', TRIM( MSG )\n STOP\n END IF\n\n IF ( TYPE .EQ. '!' ) GO TO 101\n\nC...read the factor to multiply cross sectionS by\n\n READ( O2UNIT, 1005, IOSTAT = IOST ) FACTOR\n\nC...check for read errors\n\n IF ( IOST .NE. 0 ) THEN\n MSG = 'Errors occurred while reading FACTOR from O2ABS file'\n WRITE(6,'(A)')TRIM( PNAME ) // ': ', TRIM( MSG )\n STOP\n END IF\n\nC...reinitialize arrays\n\n DO IWL = 1, MXWL\n WLIN( IWL ) = 0.0\n CSIN( IWL ) = 0.0\n END DO\n\nC...loop over the number of wavelengths and continue reading\n\n IWL = 0\n201 CONTINUE\n\n IWL = IWL + 1\n READ( O2UNIT, *, IOSTAT = IOST ) WLIN( IWL ), CSIN( IWL )\n CSIN( IWL ) = CSIN( IWL ) * FACTOR\n\nC...check for read errors\n\n IF ( IOST .GT. 0 ) THEN\n MSG = 'Errors occurred while reading WL,CS from O2ABS file'\n WRITE(6,'(A)')TRIM( PNAME ) // ': ', TRIM( MSG )\n STOP\n END IF\n\nC...end loop if we reach EOF, otherwise continue looping\n\n IF ( IOST .EQ. 0 ) GO TO 201\n\nC...adjust loop counter index index and close file\n\n NWLIN = IWL - 1\n CLOSE( O2UNIT )\n\n WRITE( 6, 2003 ) NWLIN\n\nC...transform the cs data to the same wavelength intervals as\nC... the irradiance data.\n\n CALL INTAVG ( WLIN, CSIN, NWLIN, TYPE,\n & STWL, ENDWL, CSOUT, NWL )\n\nC...load output arrays with integrated data\n \n DO IWL = 1, NWL\n O2ABS( IWL ) = CSOUT( IWL )\n END DO\n\nC...formats\n\n1001 FORMAT( A16 )\n1003 FORMAT( A1 )\n1005 FORMAT( /, 4X, F10.1 )\n\n2001 FORMAT( 1X, '...Opening File on UNIT ', I2, /, 1X, A255 )\n2003 FORMAT( 1X, '...Data for ', I4, ' wavelengths read from file',\n & // )\n\n RETURN\n END\n" }, { "path": "UTIL/jproc/src/common/reado3.f", "content": "\n!-----------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies!\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!-----------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/JPROC/src/driver/jproc_table/reado3.f,v 1.5 2011/10/29 01:03:54 sjr Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC @(#)reado3.F\t1.2 /project/mod3/JPROC/src/driver/jproc_table/SCCS/s.reado3.F 04 Jul 1997 09:40:19\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE READO3 ( NWL, STWL, ENDWL, O3ABS )\n \nC*********************************************************************\nC\nC the subroutine reads the absorption cross section\nC The input data are\nC\nC O3ABS - absorption cross sections for molecular oxygen\nC\nC*********************************************************************\n\n USE GET_ENV_VARS\n\n IMPLICIT NONE\n\n INCLUDE 'JVALPARMS.EXT' ! jproc parameters\n\nC...........ARGUMENTS and their descriptions\n \n REAL ENDWL( MXWL ) ! wavelength band upper limit\n REAL O3ABS( MXWL ) ! output absorp. cross sections\n REAL STWL ( MXWL ) ! wavelength band lower limit\n\nC...........LOCAL VARIABLES and their descriptions:\n\n CHARACTER(1) :: TYPE ! cs/qy spectra type\n CHARACTER(16) :: O3FILE = 'O3ABS' ! input filename buffer\n CHARACTER(16) :: PHOTID ! reaction id's\n CHARACTER(16) :: PNAME = 'READO3' ! program name\n CHARACTER(80) :: MSG = ' ' ! message\n CHARACTER(255) :: EQNAME\n\n INTEGER IOST ! i/o status\n INTEGER IWL ! wavelength index\n INTEGER NWL ! # of wlbands\n INTEGER NWLIN ! # of wlbands (infile)\n INTEGER O3UNIT ! cross section io unit\n\n REAL FACTOR ! multiplying factor for CS\n REAL CSOUT( MXWL ) ! integrated absorp. cross sect.\n REAL WLIN( MXWLIN ) ! wl for input cs/qy data\n REAL CSIN( MXWLIN ) ! raw absorption cross sections\n\nC*********************************************************************\nC begin body of subroutine\n\nC...get a unit number for CSQY files\n\n CALL VALUE_NAME ( O3FILE, EQNAME )\n O3UNIT = JUNIT( )\n\nC...open input file\n\n OPEN( UNIT = O3UNIT,\n & FILE = EQNAME,\n & STATUS = 'OLD',\n & IOSTAT = IOST )\n\nC...check for open errors\n\n IF ( IOST .NE. 0) THEN\n MSG = 'Could not open the O3ABS data file'\n WRITE(6,'(A)')TRIM( PNAME ) // ': ', TRIM( MSG )\n STOP\n END IF\n\n WRITE( 6, 2001 ) O3UNIT, EQNAME\n\nC...read photolysis subgroup id\n\n READ( O3UNIT, 1001, IOSTAT = IOST ) PHOTID\n\nC...check for read errors\n\n IF ( IOST .NE. 0 ) THEN\n MSG = 'Errors occurred while reading PHOTID from O3ABS file'\n WRITE(6,'(A)')TRIM( PNAME ) // ': ', TRIM( MSG )\n STOP\n END IF\n\nC...get type of data (e.g. centered, beginning, ending, or point wavelen\n\n101 CONTINUE\n\n READ( O3UNIT, 1003, IOSTAT = IOST ) TYPE\n\nC...check for read errors\n\n IF ( IOST .NE. 0) THEN\n MSG = 'Errors occurred while reading TYPE from O3ABS file'\n WRITE(6,'(A)')TRIM( PNAME ) // ': ', TRIM( MSG )\n STOP\n END IF\n\n IF ( TYPE .EQ. '!' ) GO TO 101\n\nC...read the factor to multiply cross sectionS by\n\n READ( O3UNIT, 1005, IOSTAT = IOST ) FACTOR\n\nC...check for read errors\n\n IF ( IOST .NE. 0 ) THEN\n MSG = 'Errors occurred while reading FACTOR from O3ABS file'\n WRITE(6,'(A)')TRIM( PNAME ) // ': ', TRIM( MSG )\n STOP\n END IF\n\nC...reinitialize arrays\n\n DO IWL = 1, MXWL\n WLIN( IWL ) = 0.0\n CSIN( IWL ) = 0.0\n END DO\n\nC...loop over the number of wavelengths and continue reading\n\n IWL = 0\n201 CONTINUE\n\n IWL = IWL + 1\n READ( O3UNIT, *, IOSTAT = IOST ) WLIN( IWL ), CSIN( IWL )\n CSIN( IWL ) = CSIN( IWL ) * FACTOR\n\nC...check for read errors\n\n IF ( IOST .GT. 0 ) THEN\n MSG = 'Errors occurred while reading WL,CS from O3ABS file'\n WRITE(6,'(A)')TRIM( PNAME ) // ': ', TRIM( MSG )\n STOP\n END IF\n\nC...end loop if we reach EOF, otherwise continue looping\n\n IF ( IOST .EQ. 0 ) GO TO 201\n\nC...adjust loop counter index index and close file\n\n NWLIN = IWL - 1\n CLOSE( O3UNIT )\n\n WRITE( 6, 2003 ) NWLIN\n\nC...transform the cs data to the same wavelength intervals as\nC... the irradiance data.\n\n CALL INTAVG ( WLIN, CSIN, NWLIN, TYPE,\n & STWL, ENDWL, CSOUT, NWL )\n\nC...load output arrays with integrated data\n \n DO IWL = 1, NWL\n O3ABS( IWL ) = CSOUT( IWL )\n END DO\n\n\nC...formats\n\n1001 FORMAT( A16 )\n1003 FORMAT( A1 )\n1005 FORMAT( /, 4X, F10.1 )\n\n2001 FORMAT( 1X, '...Opening File on UNIT ', I2, /, 1X, A255 )\n2003 FORMAT( 1X, '...Data for ', I4, ' wavelengths read from file',\n & // )\n\n RETURN\n END\n" }, { "path": "UTIL/jproc/src/common/readprof.f", "content": "\n!-----------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies!\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!-----------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/JPROC/src/driver/jproc_table/readprof.f,v 1.5 2011/10/29 01:03:54 sjr Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC @(#)readprof.F\t1.2 /project/mod3/JPROC/src/driver/jproc_table/SCCS/s.readprof.F 04 Jul 1997 09:40:28\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE READPROF ( XAIR, AIR, XO3, XDOBS, O3, AER, XT, T )\n \nC*********************************************************************\nC\nC the subroutine readprof reads the atmospheric profiles file.\nC The input data are:\nC\nC XO3 (nsea,nlat,nlev) - ozone profiles\nC XT (nsea,nlat,nlev) - temperature profiles\nC XAIR(nsea,nlat,nlev) - air concentration profile\nC XDOBS(nlat,MONTH) - average dobson values\nC\nC*********************************************************************\n\n USE GET_ENV_VARS\n\n IMPLICIT NONE\n \n INCLUDE 'JVALPARMS.EXT' ! jproc parameters\n\nC...........ARGUMENTS and their descriptions\n \n REAL O3 ( MXLEV ) ! ozone profile\n REAL AER( MXLEV ) ! aerosol attenuation profile\n REAL T ( MXLEV ) ! interpolated temp profile\n REAL AIR( MXLEV ) ! interpolated air profile\n REAL XDOBS( 19, 12 ) ! lat-season ozone values\n REAL XO3 ( 12, 19, MXLEV ) ! season-lat-vert ozone profile\n REAL XT ( 12, 19, MXLEV ) ! season-lat-vert temp profile\n REAL XAIR( 12, 19, MXLEV ) ! air concentration\n\nC...........LOCAL VARIABLES and their descriptions:\n\n CHARACTER(16) :: PNAME = 'READPROF' ! program name\n CHARACTER(16) :: PFFILE = 'PROFILES' ! profiles i/o logical name\n CHARACTER(80) :: MSG = ' ' ! message\n CHARACTER(255) :: EQNAME ! full name of profile file\n\n INTEGER IMON ! month index\n INTEGER ILAT ! latitude index\n INTEGER ILEV ! level index\n INTEGER ISEA ! season index\n INTEGER IOST ! io status\n INTEGER PFUNIT ! profiles io unit\n\nC*********************************************************************\nC begin body of subroutine READPROF\n\nC...read 4 seasons of 19xMXLEV fields of O3, T and M (air pressure in\nC... molecules/cm**3). T and M data is from Louis (Ph.D. thesis 1974\nC... U.of Colorado). O3 profiles are from Isaksen et al.\nC... diabatic 2D model\n\n CALL VALUE_NAME ( PFFILE, EQNAME )\n PFUNIT = JUNIT( )\n\n OPEN( UNIT = PFUNIT,\n & FILE = EQNAME,\n & STATUS = 'OLD',\n & IOSTAT = IOST )\n\nC...check for open errors\n\n IF ( IOST .NE. 0) THEN\n MSG = 'Could not open the PROFILES data file'\n WRITE(6,'(A)')TRIM( PNAME ) // ': ', TRIM( MSG )\n STOP\n END IF\n\n WRITE( 6, 2001 ) PFUNIT, EQNAME\n\n DO 70 ISEA = 1, 4\n\nC...read ozone profiles\n\n DO ILAT = 1, 19\n READ( PFUNIT, 1001, IOSTAT = IOST )\n & ( XO3 ( ISEA, ILAT, ILEV ), ILEV = 1, MXLEV )\n\nC...check for read errors\n\n IF ( IOST .GT. 0) THEN\n MSG = 'Errors occurred while reading XO3 in PROFILES file'\n WRITE(6,'(A)')TRIM( PNAME ) // ': ', TRIM( MSG )\n STOP\n END IF\n\n END DO\n\nC...read temperature profiles\n\n DO ILAT = 1, 19\n READ( PFUNIT, 1001, IOSTAT = IOST )\n & ( XT ( ISEA, ILAT, ILEV ), ILEV = 1, MXLEV )\n\nC...check for read errors\n\n IF ( IOST .GT. 0) THEN\n MSG = 'Errors occurred while reading XT in PROFILES file'\n WRITE(6,'(A)')TRIM( PNAME ) // ': ', TRIM( MSG )\n STOP\n END IF\n END DO\n\nC...read pressure/air concentration profiles\n\n DO ILAT = 1, 19\n READ( PFUNIT, 1001, IOSTAT = IOST )\n & ( XAIR( ISEA, ILAT, ILEV ), ILEV = 1, MXLEV )\n\nC...check for read errors\n\n IF ( IOST .GT. 0) THEN\n MSG = 'Errors occurred while reading XAIR in PROFILES file'\n WRITE(6,'(A)')TRIM( PNAME ) // ': ', TRIM( MSG )\n STOP\n END IF\n\n END DO\n70 CONTINUE\nC\nC...Read dobson values (12 months, 19 latitudes):\nC... Source = WMO(1981) originally from Deutch 1971.\nC... These values are used if subroutine O3SCAL is invoked in main progr\nC\n DO IMON = 1, 12\n READ( PFUNIT, *, IOSTAT = IOST ) ( XDOBS( ILAT, IMON ),\n & ILAT = 1, 19 )\n\nC...check for read errors\n\n IF ( IOST .GT. 0) THEN\n MSG = 'Errors occurred while reading XDOBS in PROFILES file'\n WRITE(6,'(A)')TRIM( PNAME ) // ': ', TRIM( MSG )\n STOP\n END IF\n\n END DO\nC\nC...read standard profiles: air, temp, and ozone are from\nC... Nicolet et al. 1982 Planet.Space Sci. v30 p935. Aerosols from\nC... Elterman 1968 AFCRL-68-0153 report (Air Force Cambridge Labs.)\nC... These standard profiles will be used if subroutine INTERP(DLAT,I\nC... is not invoked. If it is invoked (in the main program), local\nC... profiles will be interpolated to latitude and date, then used.\nC... In either case, aerosol profiles are currently from here.\nC\n DO ILEV = 1, MXLEV\n READ( PFUNIT, *, IOSTAT = IOST ) T ( ILEV ), AIR( ILEV ),\n & O3( ILEV ), AER( ILEV )\n\nC...check for read errors\n\n IF ( IOST .GT. 0) THEN\n MSG ='Errors occurred while reading STD PROF in PROFILES file'\n WRITE(6,'(A)')TRIM( PNAME ) // ': ', TRIM( MSG )\n STOP\n END IF\n\n END DO\n\n CLOSE( PFUNIT )\n\nC...formats\n\n1001 FORMAT( 8E10.3 )\n2001 FORMAT( 1X, '...Opening File on UNIT ', I2, /, 1X, A255, / )\n\n RETURN\n END\n" }, { "path": "UTIL/jproc/src/common/readtoms.f", "content": "\n!-----------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies!\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!-----------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/JPROC/src/driver/jproc_table/readtoms.f,v 1.6 2011/10/29 01:03:54 sjr Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC @(#)readtoms.F\t1.2 /project/mod3/JPROC/src/driver/jproc_table/SCCS/s.readtoms.F 04 Jul 1997 09:40:36\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE READTOMS ( JDT, JVLAT, XLATJV, DOBNEW )\n\nC*********************************************************************\nC\nC This routine reads the daily gridded data for real-time satellite\nC total ozone column (TOC) data. variables lat and lon contain\nC the latitudes and longitudes of the center of each of the grid\nC cells in the array ozone. \nC\nC HISTORY:\nC 10/7/2009 S.Roselle Updated to read TOMS datasets with different\nC lat/lon grid sizes (e.g. OMI); expanded\nC latitudinal band averaging to full width\nC of TOMS dataset\nC 04/11/96 S.Roselle Modified program to conform with Models3\nC coding standards and to average latitudinal\nC bands of TOMS values\nC 04/10/96 Program received from NASA via web/ftp\nC\nC*********************************************************************\n\n USE GET_ENV_VARS\n\n IMPLICIT NONE\n\nC...........ARGUMENTS and their descriptions\n\n INTEGER JDT ! julian date (yyyyddd)\n INTEGER JVLAT ! number of output latitudes\n REAL XLATJV( JVLAT ) ! latitudes\n REAL DOBNEW( JVLAT ) ! average TOC values\n\nC...........LOCAL VARIABLES and their descriptions:\n\n CHARACTER(16) :: TMFILE = 'TOMS' ! TOMS i/o logical name\n CHARACTER(16) :: PNAME = 'READTOMS'\n CHARACTER(80) :: MSG = ' '\n CHARACTER(255) :: EQNAME ! full name of TOMS file\n\n INTEGER ILAT ! latitude index\n INTEGER JLAT ! latitude index\n INTEGER ILON ! longitude index\n INTEGER NLAT ! number of input latitudes\n INTEGER NLON ! number of input longitudes\n INTEGER DDD ! julian day\n INTEGER YYYY ! year\n INTEGER TJDATE ! julian date for toms data\n INTEGER IOST ! io status\n INTEGER TMUNIT ! unit number for TOMS file\n INTEGER ALLOCSTAT ! allocate status\n INTEGER COUNT( JVLAT ) ! # points included in TOC average\n INTEGER, ALLOCATABLE :: OZONE( :,: )\n\n REAL STLAT, STLON ! starting point lat,lon\n REAL ENDLAT, ENDLON ! ending point lat,lon\n REAL DLAT\n REAL DLON\n REAL, ALLOCATABLE :: LAT( : )\n REAL, ALLOCATABLE :: LON( : )\n\nC*********************************************************************\nC begin body of program READTOMS\n \nC...calculate latitudes and longitudes \n\nC...open the input file\n\n TMUNIT = JUNIT( )\n CALL VALUE_NAME ( TMFILE, EQNAME )\n\n OPEN ( UNIT = TMUNIT,\n & FILE = EQNAME,\n & FORM = 'FORMATTED',\n & STATUS = 'OLD',\n & IOSTAT = IOST )\n\nC...check for open errors\n\n IF ( IOST .NE. 0 ) THEN\n MSG = 'Could not open the TOMS data file'\n WRITE(6,'(A)')TRIM( PNAME ) // ': ', TRIM( MSG )\n STOP\n END IF\n\n WRITE( 6, 2001 ) TMUNIT, EQNAME\n\nC...read in the header lines\n\n READ( TMUNIT, 1001 ) DDD, YYYY\n TJDATE = YYYY * 1000 + DDD\n\nC...check to see if julian date of file matches julian date requested\nC... and warn user if they do not match\n\n IF ( TJDATE .NE. JDT ) THEN\n MSG = 'Julian date of TOMS file does not match requested date '\n WRITE(6,'(A)')TRIM( PNAME ) // ': ', TRIM( MSG )\n END IF\n \nC...read longitude info and allocate array\n\n READ( TMUNIT, 1003 ) NLON, STLON, ENDLON, DLON\n\n ALLOCATE ( LON( NLON ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n MSG = 'Failure allocating LON'\n WRITE(6,'(A)')TRIM( PNAME ) // ': ', TRIM( MSG )\n STOP\n END IF\n\n DO ILON = 1, NLON\n LON( ILON ) = -STLON + ( ILON - 1 ) * DLON\n END DO\n\nC...read latitude info and allocate array\n\n READ( TMUNIT, 1003 ) NLAT, STLAT, ENDLAT, DLAT\n\n ALLOCATE ( LAT( NLAT ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n MSG = 'Failure allocating LAT'\n WRITE(6,'(A)')TRIM( PNAME ) // ': ', TRIM( MSG )\n STOP\n END IF\n\n DO ILAT = 1, NLAT\n LAT( ILAT ) = -STLAT + ( ILAT - 1 ) * DLAT\n END DO\n\nC...allocate and read in the data into the array ozone\n\n ALLOCATE ( OZONE( NLON, NLAT ), STAT = ALLOCSTAT )\n IF ( ALLOCSTAT .NE. 0 ) THEN\n MSG = 'Failure allocating OZONE'\n WRITE(6,'(A)')TRIM( PNAME ) // ': ', TRIM( MSG )\n STOP\n END IF\n\n DO ILAT = 1, NLAT\n READ( TMUNIT, 1005, IOSTAT = IOST ) ( OZONE( ILON, ILAT ),\n & ILON = 1, NLON )\n\n IF ( IOST .NE. 0) THEN\n MSG = 'Errors occurred while reading TOMS file'\n WRITE(6,'(A)')TRIM( PNAME ) // ': ', TRIM( MSG )\n STOP\n END IF\n\n END DO\n\nC...close the input file\n\n CLOSE( TMUNIT )\n\nC...process/print the ozone data\n\n WRITE( 6, 2003 )\n\n DO JLAT = 1, JVLAT\n\n COUNT ( JLAT ) = 0\n DOBNEW( JLAT ) = 0.0\n\n DO ILAT = 1, NLAT\n\n IF ( ( LAT( ILAT ) .GT. ( XLATJV( JLAT ) - 5.0 ) ) .AND.\n & ( LAT( ILAT ) .LT. ( XLATJV( JLAT ) + 5.0 ) ) ) THEN\n\n DO ILON = 1, NLON\n IF ( OZONE( ILON, ILAT ) .GT. 0 ) THEN\n COUNT ( JLAT ) = COUNT( JLAT ) + 1\n DOBNEW( JLAT ) = DOBNEW( JLAT )\n & + FLOAT( OZONE( ILON, ILAT ) )\n END IF\n END DO\n\n END IF\n\n END DO\n\n IF ( COUNT( JLAT ) .GT. 0 ) THEN\n DOBNEW( JLAT ) = DOBNEW( JLAT ) / FLOAT( COUNT( JLAT ) )\n WRITE( 6, 2005 ) XLATJV( JLAT ), COUNT( JLAT ), DOBNEW( JLAT )\n ELSE\n \tWRITE( 6, 2007 ) XLATJV( JLAT )\n END IF\n END DO\n\nC...format statements\n\n1001 FORMAT( 6X, I3, 9X, I4 )\n1003 FORMAT( 13X, I4, 18X, F7.3, 6X, F7.3, 5X, F4.2 )\n1005 FORMAT( 1X, 25I3 )\n2001 FORMAT( 1X, '...Opening File on UNIT ', I2, /, 1X, A255 )\n2003 FORMAT( 1X, 'Processing Total Ozone Column Data' )\n2005 FORMAT( 7X, 'Latitude:', 1X, F5.1, ', N=', I5, ', Mean TOC=', F9.4 )\n2007 FORMAT( 7X, 'Latitude:', 1X, F5.1, ', TOC=0.0' )\n\n RETURN\n END\n" }, { "path": "UTIL/jproc/src/common/setaer.f", "content": "\n!-----------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies!\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!-----------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/JPROC/src/driver/jproc_table/setaer.f,v 1.4 2011/10/29 01:03:54 sjr Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC @(#)setaer.F\t1.1 /project/mod3/JPROC/src/driver/jproc_table/SCCS/s.setaer.F 23 May 1997 12:44:27\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE SETAER ( NWL, MIDWL, AAER, OMAER, GAER, HAER )\n\nC*********************************************************************\nC\nC Specify aerosols\nC\nC AAER(IWL) = aerosol total vertical optical depth variation with\nC wavelength. Estimated from Elterman (1968)\nC AER(I) = attenuation (per km) profile from Elterman (1968).\nC Given in data statement in beginning of code,\nC for 340 nm (IWL=60)\nC Same vertical shape at all wavelengths.\nC Normalized later (in subroutine SUBGRID) to total\nC vertical dep this wavelength.\nC OMAER = aerosol single scattering albedo. Use 0.99 for now.\nC GAER = aerosol asymetry factor. Use 0.61 (Hansen and\nC Travis 1974) (these are assuming particles of\nC about 0.1 micron radius index of refraction of\nC about 1.65 + 0.002i.\nC HAER = the aerosol scale height at top of atmosphere\nC use equal to air (8.05 km)\nC\nC*********************************************************************\n\n IMPLICIT NONE\n\n INCLUDE 'JVALPARMS.EXT' ! jproc parameters\n\nC...........ARGUMENTS and their descriptions\n\n INTEGER NWL ! number of wavelength bands\n\n REAL MIDWL ( MXWL ) ! wavelength band midpoints\n REAL AAER ( MXWL ) ! aerosol total vert opt depth\n REAL OMAER ! aerosol single scat albedo\n REAL GAER ! aerosol asymetry factor\n REAL HAER ! aerosol scale ht at atm top\n\nC...........LOCAL VARIABLES and their descriptions:\n\n INTEGER IWL ! wavelength index\n\nC*********************************************************************\nC begin body of subroutine SETAER\n\n DO IWL = 1, NWL\n AAER( IWL ) = 0.379 * ( 340.0 / MIDWL( IWL ) )\n END DO\n\n OMAER = 0.990\n GAER = 0.610\n HAER = 8.05\n\n RETURN\n END\n" }, { "path": "UTIL/jproc/src/common/setair.f", "content": "\n!-----------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies!\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!-----------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/JPROC/src/driver/jproc_table/setair.f,v 1.4 2011/10/29 01:03:55 sjr Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC @(#)setair.F\t1.1 /project/mod3/JPROC/src/driver/jproc_table/SCCS/s.setair.F 23 May 1997 12:44:28\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE SETAIR ( NWL, MIDWL, HAIR, OMRAY, GRAY, ARAYL )\n\nC*********************************************************************\nC\nC Specify air/Rayleigh parameters\nC HAIR = air scale height, used to estimate ozone density\nC column a upper boundary (50km).\nC OMRAY = single scattering albedo, Rayleigh. Use 1.00\nC GRAY = asymetry factor for Rayleigh scattering. Use 0.0\nC ARAYL(KL) = Rayleigh scattering cross section, from\nC Frohlich and Shaw, Appl.Opt. v.11, p.1773 (1980).\nC overrides tabulation of JDATA.BASE\nC\nC*********************************************************************\n\n IMPLICIT NONE\n\n INCLUDE 'JVALPARMS.EXT' ! jproc parameters\n\nC...........ARGUMENTS and their descriptions\n\n INTEGER NWL ! number of wavelength bands\n\n REAL HAIR ! air scale height\n REAL OMRAY ! single scat albedo, Rayleigh\n REAL GRAY ! asymetry fact for Rayleigh scat\n REAL ARAYL ( MXWL ) ! Rayleigh scat cross section\n REAL MIDWL ( MXWL ) ! wavelength band midpoints\n\nC...........LOCAL VARIABLES and their descriptions:\n\n INTEGER IWL ! wavelength index\n\n REAL XX ! intermediate var\n REAL WMICRON ! wavelength in microns\n\nC*********************************************************************\nC begin body of subroutine SETAIR\n\n HAIR = 8.05\n OMRAY = 1.0\n GRAY = 0.0\n\n DO IWL = 1, NWL\n WMICRON = MIDWL( IWL ) / 1.0E3\n XX = 3.916 + 0.074 * WMICRON + 0.050 / WMICRON\n ARAYL( IWL ) = 3.90E-28 / WMICRON**XX\n END DO\n\n RETURN\n END\n" }, { "path": "UTIL/jproc/src/common/setalb.f", "content": "\n!-----------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies!\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!-----------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/JPROC/src/driver/jproc_table/setalb.f,v 1.5 2011/10/29 01:03:55 sjr Exp $ \n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE SET_ALBEDO ( NWL, MIDWL, ALBEDO )\n\nC*********************************************************************\nC\nC Set the albedo of the surface. \nC Use best estimate albedo of Demerjian et al.,\nC Adv.Env.Sci.Tech.,v.10,p.369, (1980)\nC\nC*********************************************************************\n\n IMPLICIT NONE\n\n INCLUDE 'JVALPARMS.EXT' ! jproc parameters\n\nC...........ARGUMENTS and their descriptions\n\n INTEGER NWL ! number of wavelength bands\n\n REAL MIDWL ( MXWL ) ! wavelength band midpoints\n REAL ALBEDO( MXWL ) ! ground albedo\n\nC...........LOCAL VARIABLES and their descriptions:\n\n INTEGER IWL ! wavelength index\n\nC*********************************************************************\nC begin body of subroutine SET_ALBEDO\n\n DO IWL = 1, NWL\n\n IF ( MIDWL( IWL ) .LT. 400.0 ) THEN\n ALBEDO( IWL ) = 0.05\n ELSE IF (( MIDWL( IWL ) .GE. 400.0 ) .AND.\n & ( MIDWL( IWL ) .LT. 450.0 )) THEN\n ALBEDO( IWL ) = 0.06\n ELSE IF (( MIDWL( IWL ) .GE. 450.0 ) .AND.\n & ( MIDWL( IWL ) .LT. 500.0 )) THEN\n ALBEDO( IWL ) = 0.08\n ELSE IF (( MIDWL( IWL ) .GE. 500.0 ) .AND.\n & ( MIDWL( IWL ) .LT. 550.0 )) THEN\n ALBEDO( IWL ) = 0.10\n ELSE IF (( MIDWL( IWL ) .GE. 550.0 ) .AND.\n & ( MIDWL( IWL ) .LT. 600.0 )) THEN\n ALBEDO( IWL ) = 0.11\n ELSE IF (( MIDWL( IWL ) .GE. 600.0 ) .AND.\n & ( MIDWL( IWL ) .LT. 640.0 )) THEN\n ALBEDO( IWL ) = 0.12\n ELSE IF (( MIDWL( IWL ) .GE. 640.0 ) .AND.\n & ( MIDWL( IWL ) .LT. 660.0 )) THEN\n ALBEDO( IWL ) = 0.135\n ELSE IF ( MIDWL( IWL ) .GE. 660.0 ) THEN\n ALBEDO( IWL ) = 0.15\n END IF\n\n END DO\n\n RETURN\n END\n" }, { "path": "UTIL/jproc/src/common/setcld.f", "content": "\n!-----------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies!\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!-----------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/JPROC/src/driver/jproc_table/setcld.f,v 1.4 2011/10/29 01:03:55 sjr Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC @(#)setcld.F\t1.1 /project/mod3/JPROC/src/driver/jproc_table/SCCS/s.setcld.F 23 May 1997 12:44:29\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE SETCLD ( NLAYS, NLEVS, NSUBKM, IBASE, ITOP, CLOUD,\n & OMCLD, GCLD )\n\nC*********************************************************************\nC\nC CLOUD MUST BE SPECIFIED EVEN FOR CLEAR PHOTOLYSIS RATES\nC A FINE GRID IS REQUIRED BY THE DELTA-EDDINGTON SOLVER\nC DEPTH = cloud optical depth\nC IBASE = cloud base index (height/km + 1)\nC ITOP = cloud top index (height/km + 1)\nC NSUBKM = cloud sublayers/km\nC NSBTOT = total number of cloud sublayers (36 or less)\nC NLAYS = total number of atmospheric layers\nC CLOUD(K) = cloud optical depth profile. Relative optical depth\nC cloud sublayer. Assume constant cloud profile for now\nC Re- normalize to total optical depth\nC OMCLD = single scattering cross sect. Use 0.9995\nC GCLD = asymetry factor. Use 0.875\nC\nC*********************************************************************\n\n IMPLICIT NONE\n\n INCLUDE 'JVALPARMS.EXT' ! jproc parameters\n\nC...........ARGUMENTS and their descriptions\n\n INTEGER NLAYS ! total # of atm layers\n INTEGER NLEVS ! number of levels\n INTEGER NSUBKM ! cloud sublayers/km\n INTEGER IBASE ! cloud base index\n INTEGER ITOP ! cloud top index\n\n REAL CLOUD( 48 ) ! cloud optical depth profile\n REAL OMCLD ! cloud single scat cross sect\n REAL GCLD ! cloud asymetry factor\n\nC...........LOCAL VARIABLES and their descriptions:\n\n INTEGER K ! cloud sublayer index\n INTEGER NSBTOT ! total # of cloud sublayers \n\n REAL CTOT ! total cloud column\n REAL DEPTH ! optical cloud depth\n\nC*********************************************************************\nC begin body of subroutine SETCLD\n\n DEPTH = 0.0\n\n IBASE = 20\n ITOP = 30\n\n NSUBKM = 36 / ( ITOP - IBASE )\n NSBTOT = NSUBKM * ( ITOP - IBASE )\n NLAYS = MXLEV + ( NSUBKM - 1 ) * ( ITOP - IBASE )\n NLEVS = NLAYS + 1\n\n DO K = 1, NSBTOT\n CLOUD( K ) = 1.0\n END DO\n\nC...normalize cloud profile\n\n CTOT = 0\n\n DO K = 1, NSBTOT\n CTOT = CTOT + CLOUD( K )\n END DO\n\n DO K = 1, NSBTOT\n CLOUD( K ) = DEPTH / CTOT\n END DO\n\n OMCLD = 1.000\n GCLD = 0.860\n\n RETURN\n END\n" }, { "path": "UTIL/jproc/src/common/srband.f", "content": "\n!-----------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies!\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!-----------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/JPROC/src/driver/jproc_table/srband.f,v 1.5 2011/10/29 01:03:56 sjr Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC @(#)srband.F\t1.1 /project/mod3/JPROC/src/driver/jproc_table/SCCS/s.srband.F 23 May 1997 12:44:30\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE SRBAND ( NWL, STWL, MIDWL, ENDWL, COSZEN, NLAYS, AO2,\n & CVO2, VT, ZMID, O2ABS )\n \nC*********************************************************************\nC\nC this subroutine calculates effective O2 cross sections in the\nC Schumann-Runge band, using the formulae from Allen and Frederick,\nC J.Atmos.Sci., v39, p2066 (1982). The coefficients are those\nC modified by Wuebbles (LLL report, 1982).\nC\nC*********************************************************************\n\n IMPLICIT NONE\n\nC...........PARAMETERS and their descriptions\n\n INTEGER, PARAMETER :: MXWL = 130 ! number of wavelength bands\n INTEGER, PARAMETER :: NJ = 200 ! maximum levels\n INTEGER, PARAMETER :: NWLO2 = 11 ! # of wl bands for O2 SR data\n\nC...........ARGUMENTS and their descriptions\n\n INTEGER NWL ! number of wavelength bands\n INTEGER NLAYS ! total # of atm layers\n\n REAL COSZEN ! cosine zenith angle\n REAL STWL( MXWL ) ! wavelength bands starting point\n REAL MIDWL( MXWL ) ! wavelength bands midpoint\n REAL ENDWL( MXWL ) ! wavelength bands ending point\n REAL CVO2( NJ ) ! vertical column O2\n REAL VT ( NJ ) ! average temp of column\n REAL ZMID( NJ ) ! altitude of midpoint of layer\n REAL AO2( NJ, MXWL ) ! layered O2 cross sections\n REAL O2ABS( MXWL ) ! O2 cross sections\n\nC...........LOCAL VARIABLES and their descriptions:\n\n CHARACTER(1), SAVE :: TYPE = 'B' ! cs spectra type (B=beginning wl)\n\n INTEGER IWL ! wavelength index\n INTEGER IWLO2 ! wavelength index for ref O2 data\n INTEGER ILAY ! layer index\n INTEGER N20 ! layer at 20 km\n\n REAL E10 ! e**10\n REAL X1 ! \n REAL X2 ! x1**2\n REAL X3 ! x1**3\n REAL X4 ! x1**4\n REAL X5 ! x1**5\n REAL X6 ! x1**6\n REAL X7 ! x1**7\n REAL X8 ! x1**8\n REAL AO20 !\n REAL AO20LG !\n REAL Y1 ! \n REAL Y2 ! y1**2\n REAL Y3 ! y1**3\n REAL Y4 ! y1**4\n REAL C !\n REAL CLOG !\n REAL ZENDEP !\n REAL AO2W1( NWLO2 ) ! O2 SR data on ref WL bands\n REAL AO2W2( MXWL ) ! O2 SR data on ET wl bands\n REAL WLO2L( NWLO2+1 ) ! lower wl's for O2 SR data\n DATA WLO2L / 185.185, 186.916, 188.679, 190.476, 192.308,\n & 194.175, 196.078, 198.020, 200.000, 202.020,\n & 204.082, 206.186/\n SAVE WLO2L\n\n REAL SRA1( NWLO2 ) ! Schumann-Runge coef a1\n DATA SRA1 / -2.158311E+01, -2.184813E+01, -2.200507E+01,\n & -2.205527E+01, -2.205261E+01, -2.228000E+01,\n & -2.275796E+01, -2.297610E+01, -2.506084E+01,\n & -2.313436E+01, -2.312205E+01 /\n SAVE SRA1\n\n REAL SRA2( NWLO2 ) ! Schumann-Runge coef a2\n DATA SRA2 / -4.164652E-01, -4.753880E-01, -4.628729E-01,\n & -4.400848E-01, -5.707936E-01, -3.960759E-01,\n & -2.054719E-01, -5.823677E-02, 3.442774E-02,\n & 1.177283E-04, 0.000000E+00 /\n SAVE SRA2\n\n REAL SRA3( NWLO2 ) ! Schumann-Runge coef a3\n DATA SRA3 / 5.266362E-02, 4.519945E-02, -5.022541E-02,\n & -5.687308E-03, -3.330207E-02, -2.995798E-02,\n & -1.094205E-02, -1.007612E-01, -2.212047E-04,\n & 0.000000E+00, 0.000000E+00 /\n SAVE SRA3\n\n REAL SRA4( NWLO2 ) ! Schumann-Runge coef a4\n DATA SRA4 / 1.655877E-02, 3.228313E-02, 2.545036E-02,\n & 3.712279E-02, 5.959032E-02, 4.918104E-02,\n & 2.079595E-02, 2.404666E-02, 6.186041E-07,\n & 0.000000E+00, 0.000000E+00 /\n SAVE SRA4\n\n REAL SRA5( NWLO2 ) ! Schumann-Runge coef a5\n DATA SRA5 / 0.000000E+00, 3.079373E-03, 5.791406E-02,\n & 6.025527E-03, 1.510540E-02, 9.269080E-03,\n & 3.769638E-03, 4.761876E-02, -6.284394E-10,\n & 0.000000E+00, 0.000000E+00 /\n SAVE SRA5\n\n REAL SRA6( NWLO2 ) ! Schumann-Runge coef a6\n DATA SRA6 / 0.000000E+00, 0.000000E+00, 1.179966E-02,\n & 0.000000E+00, 1.000376E-03, -1.173411E-03,\n & 0.000000E+00, 4.169606E-03, 0.000000E+00,\n & 0.000000E+00, 0.000000E+00 /\n SAVE SRA6\n\n REAL SRA7( NWLO2 ) ! Schumann-Runge coef a7\n DATA SRA7 / 0.000000E+00, 0.000000E+00, -8.296876E-03,\n & 0.000000E+00, 0.000000E+00, -2.599386E-04,\n & 0.000000E+00, -7.126663E-03, 0.000000E+00,\n & 0.000000E+00, 0.000000E+00 /\n SAVE SRA7\n\n REAL SRA8( NWLO2 ) ! Schumann-Runge coef a8\n DATA SRA8 / 0.000000E+00, 0.000000E+00, -3.238368E-03,\n & 0.000000E+00, 0.000000E+00, 0.000000E+00,\n & 0.000000E+00, -2.263652E-03, 0.000000E+00,\n & 0.000000E+00, 0.000000E+00 /\n SAVE SRA8\n\n REAL SRA9( NWLO2 ) ! Schumann-Runge coef a9\n DATA SRA9 / 0.000000E+00, 0.000000E+00, -3.069686E-04,\n & 0.000000E+00, 0.000000E+00, 0.000000E+00,\n & 0.000000E+00, -1.971653E-04, 0.000000E+00,\n & 0.000000E+00, 0.000000E+00 /\n SAVE SRA9\n\n REAL SRB1( NWLO2 ) ! Schumann-Runge coef b1\n DATA SRB1 / -2.431640E+03, -3.701955E+01, -1.086239E+03,\n & -1.213108E+03, -8.334575E+01, -2.139117E+02,\n & -3.281301E+02, 3.033416E+03, -2.535815E+00,\n & -4.474937E+00, -2.996639E+00 /\n SAVE SRB1\n\n REAL SRB2( NWLO2 ) ! Schumann-Runge coef b2\n DATA SRB2 / 4.729722E+02, 3.623290E+00, 1.981847E+02,\n & 2.277459E+02, 7.944254E+00, 2.612729E+01,\n & 4.307004E+01, -5.978911E+02, 0.000000E+00,\n & 0.000000E+00, 0.000000E+00 /\n SAVE SRB2\n\n REAL SRB3( NWLO2 ) ! Schumann-Runge coef b3\n DATA SRB3 / -3.452121E+01, -8.929223E-02, -1.359057E+01,\n & -1.612207E+01, -1.898894E-01, -1.036749E+00,\n & -1.870019E+00, 4.370384E+01, 0.000000E+00,\n & 0.000000E+00, 0.000000E+00 /\n SAVE SRB3\n\n REAL SRB4( NWLO2 ) ! Schumann-Runge coef b4\n DATA SRB4 / 1.120677E+00, 0.000000E+00, 4.155845E-01,\n & 5.101389E-01, 0.000000E+00, 1.317695E-02,\n & 2.674331E-02, -1.406715E+00, 0.000000E+00,\n & 0.000000E+00, 0.000000E+00 /\n SAVE SRB4\n\n REAL SRB5( NWLO2 ) ! Schumann-Runge coef b5\n DATA SRB5 / -1.365618E-02, 0.000000E+00, -4.788462E-03,\n & -6.090518E-03, 0.000000E+00, 0.000000E+00,\n & 0.000000E+00, 1.683967E-02, 0.000000E+00,\n & 0.000000E+00, 0.000000E+00 /\n SAVE SRB5\n\nC*********************************************************************\nC begin body of subroutine SRBAND\n\nC...initialize cross sections:\n \n DO ILAY = 1, NLAYS\n DO IWL = 1, NWL\n AO2( ILAY, IWL ) = O2ABS( IWL )\n END DO\n END DO\n\nC...correct as needed\nC... use formula for 20-50 km.\nC... below 20 km, use 20 km value\nC... find layer near 20 km\n\n DO ILAY = 1, NLAYS\n IF ( ZMID( ILAY ) .GT. 20.0 ) THEN\n N20 = ILAY\n GO TO 301\n END IF\n END DO\n\n301 CONTINUE\n\n E10 = ALOG( 10.0 )\n DO ILAY = N20, NLAYS\n \n DO IWLO2 = 1, NWLO2\n \n X1 = ALOG( 4.696E-23 * CVO2( ILAY ) / 0.2095 ) / E10\n IF ( WLO2L( IWLO2 ) .GE. 200.0 ) X1 = VT( ILAY )\n X2 = X1 * X1\n X3 = X2 * X1\n X4 = X3 * X1\n X5 = X4 * X1\n X6 = X5 * X1\n X7 = X6 * X1\n X8 = X7 * X1\n AO20LG = SRA1( IWLO2 ) + SRA2( IWLO2 ) * X1\n & + SRA3( IWLO2 ) * X2 + SRA4( IWLO2 ) * X3\n & + SRA5( IWLO2 ) * X4 + SRA6( IWLO2 ) * X5\n & + SRA7( IWLO2 ) * X6 + SRA8( IWLO2 ) * X7\n & + SRA9( IWLO2 ) * X8\n AO20 = 10.0**AO20LG\n\n Y1 = ALOG( CVO2( ILAY ) ) / E10\n Y2 = Y1 * Y1\n Y3 = Y2 * Y1\n Y4 = Y3 * Y1\n CLOG = SRB1( IWLO2 ) + SRB2( IWLO2 ) * Y1\n & + SRB3( IWLO2 ) * Y2 + SRB4( IWLO2 ) * Y3\n & + SRB5( IWLO2 ) * Y4\n C = 10.0**CLOG\n ZENDEP = COSZEN**C\n \n AO2W1( IWLO2 ) = AO20 * ZENDEP\n \n END DO\n\nC...now transfrom the computed O2 data from their\nC... reference wavelength bands to the same wavelength bands\nC... as the extraterrestrial irradiance data\n\n CALL INTAVG ( WLO2L, AO2W1, NWLO2+1, TYPE,\n & STWL, ENDWL, AO2W2, NWL )\n\n DO IWL = 1, NWL\n IF ( ENDWL( IWL ) .LE. 205.0 ) THEN\n AO2( ILAY, IWL ) = AO2W2( IWL )\n END IF\n END DO\n\n END DO\n\nC...assign values below 20 km\n\n DO ILAY = 1, N20 - 1\n DO IWL = 1, NWL\n AO2( ILAY, IWL ) = AO2( N20, IWL )\n END DO\n END DO\n\n RETURN\n END\n" }, { "path": "UTIL/jproc/src/common/subgrid.F", "content": "\n!-----------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies!\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!-----------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/JPROC/src/driver/jproc_table/subgrid.F,v 1.9 2011/10/29 01:03:56 sjr Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC @(#)subgrid.F 1.2 /project/mod3/JPROC/src/driver/jproc_table/SCCS/s.subgrid.F 04 Jun 1997 10:48:24\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE SUBGRID ( NWL, STWL, MIDWL, ENDWL, CS, CSZ, QY, QYZ,\n & AIR, HAIR, VAIR, CVO2, O3ABS, O3, HO3, VO3,\n & AO3, IBASE, ITOP, CLOUD, NSUBKM, VCLD,\n & AER, VAER, HAER, T, VT, Z, ZMID,\n & NLAYS, NLEVS )\n \nC*********************************************************************\nC\nC This subroutine computes all altitude dependent quantities over the\nC sub-divided grid\nC The following quantities are computed at each LEVEL (altitude)\nC Z (ILEV) = altitude (km) of each level\nC ZAIR(ILEV) = air concentration at each level\nC ZT (ILEV) = temperature at each level\nC CSZ(ILEV,IWL,IPHOT) = abs. cross sect at each altitude (T,P corrected)\nC QYZ(ILEV,IWL,IPHOT) = quantum yield at each altitude (T,P corrected)\nC\nC The following quantities are computed at each LAYER (thickness)\nC ZMID(ILAY) = altitude of modpoint of layer\nC VAIR(ILAY) = air column in layer (vertical)\nC VO3 (ILAY) = ozone column \" \"\nC VAER(ILAY) = aerosol \" \" '\nC VCLD(ILAY) = cloud \" \" \"\nC VT (ILAY) = average temperature of column\nC AO3 (ILAY,IWL) = average O3 cross sect in layer (with ave. layer\nC\nC*********************************************************************\n\n USE RXNS_DATA\n\n IMPLICIT NONE\n\n INCLUDE 'JVALPARMS.EXT' ! jproc parameters\n\nC...........PARAMETERS and their descriptions\n \n INTEGER, PARAMETER :: NWLO3 = 29 ! number of wl bands for O3 T cor\n\nC...........ARGUMENTS and their descriptions\n\n INTEGER NWL ! number of wavelength bands\n INTEGER NSUBKM ! cloud sublayers/km\n INTEGER IBASE ! cloud base index\n INTEGER ITOP ! cloud top index\n INTEGER NLAYS ! total # of atm layers\n INTEGER NLEVS ! number of levels\n\n REAL HAIR ! air scale height\n REAL HO3 ! ozone scale height\n REAL HAER ! aerosol scale ht at atm top\n REAL CLOUD( 48 ) ! cloud optical depth profile\n REAL T ( MXLEV ) ! interpolated temp profile\n REAL AER( MXLEV ) ! aerosol attenuation profile\n REAL O3 ( MXLEV ) ! ozone profile\n REAL AIR( MXLEV ) ! interpolated air profile\n REAL STWL( MXWL ) ! wavelength band starting point\n REAL MIDWL( MXWL ) ! wavelength band midpoints\n REAL ENDWL( MXWL ) ! wavelength band ending point\n REAL O3ABS( MXWL ) ! O3 absorption cross section\n REAL VT ( NJ ) ! average temp of column\n REAL Z ( NJ ) ! altitude of each level\n REAL ZMID( NJ ) ! altitude of midpoint of layer\n REAL VAER( NJ ) ! aerosol column in layer\n REAL VCLD( NJ ) ! cloud column in layer\n REAL VO3 ( NJ ) ! ozone column in layer\n REAL VAIR( NJ ) ! air column in layer\n REAL CVO2( NJ ) ! vertical column O2\n REAL AO3( NJ, MXWL ) ! average O3 cross sect in layer\n REAL CS( MXWL, NPHOTAB ) ! cross sections\n REAL QY( MXWL, NPHOTAB ) ! quantum yields\n REAL CSZ( 100, MXWL, NPHOTAB ) ! cross section at each level\n REAL QYZ( 100, MXWL, NPHOTAB ) ! quantum yields T&P corrected\n\nC...........LOCAL VARIABLES and their descriptions:\n\n CHARACTER(8), SAVE :: SRO1D = ' ' ! source for o1d data\n CHARACTER(1), SAVE :: TYPE = 'B' ! cs spectra type (B=beginning wl)\n\n LOGICAL, SAVE :: FIRSTIME = .TRUE. ! Flag for first call to SUBGRID\n\n INTEGER ILEV ! level index\n INTEGER I ! index\n INTEGER K ! level index\n INTEGER ILAY ! layer index\n INTEGER IWL ! wavelength index\n INTEGER II ! layer index\n INTEGER IPHOT ! reaction index\n INTEGER, SAVE :: IO3O1D ! O3O1D reaction index \n INTEGER, SAVE :: IO3O3P ! O3O3P reaction index\n INTEGER, SAVE :: IHCHOM ! HCHOM reaction index\n INTEGER, SAVE :: IHCHOR ! HCHOR reaction index\n INTEGER, SAVE :: IALD ! ALD reaction index\n INTEGER, SAVE :: IACETONE ! ACETONE reaction index\n INTEGER, SAVE :: IKETONE ! KETONE reaction index\n INTEGER, SAVE :: IGLYF ! GLYF reaction index\n INTEGER, SAVE :: IGLYM ! GLYM reaction index\n INTEGER, SAVE :: IGLY_R ! GLY_R reaction index\n INTEGER, SAVE :: IMGLY ! MGLY reaction index\n INTEGER IWLO3 ! index for wl bands for O3 t cor\n\n REAL DZ ! atmosphere depth\n REAL DZCLD ! cloud thickness\n REAL HLOCAL ! local air scale\n REAL HLOCA1 ! local air scale\n REAL HLOCA2 ! local aerosol scale\n REAL X0 ! height fraction\n REAL X1 ! height above fraction\n REAL AKT ! temp corrected form diff\n REAL AK300 ! diff in qy(2) for form\n REAL PHI20 ! qy for form react 2 diff\n REAL SUM ! total aerosol opt depth\n REAL DZ1 ! x0 - dz\n REAL DZ2 ! x0 + dz\n REAL TDIFFX ! temp diff for o3 c-s\n REAL PHI1 ! qy for form react 1\n REAL PHI2 ! qy for form react 2\n REAL C ! coef 3 for o3 qy\n REAL A ! coef 1 for o3 qy\n REAL B ! coef 2 for o3 qy\n REAL TN1 ! temp diff for o3 qy nasa94\n REAL TR1 ! temp diff for o3 qy radm\n REAL XL ! wavelength\n REAL XL0 ! wavelength\n REAL DXL ! wl delta from 305nm\n REAL A0 ! 1st coef for O3 qy\n REAL A1 ! 2nd coef for O3 qy\n REAL A2 ! 3rd coef for O3 qy\n REAL A3 ! 4th coef for O3 qy\n REAL A4 ! 5th coef for O3 qy\n REAL A5 ! 6th coef for O3 qy\n REAL A6 ! 7th coef for O3 qy\n\nC...coefficients for JPL06-2 and IUPAC04 O3O1D QY temperature adjustment\n\n REAL, SAVE :: jA1 = 0.8036 \n REAL, SAVE :: jA2 = 8.9061 \n REAL, SAVE :: jA3 = 0.1192 \n REAL, SAVE :: jX1 = 304.225 ! nm \n REAL, SAVE :: jX2 = 314.957 ! nm \n REAL, SAVE :: jX3 = 310.737 ! nm \n REAL, SAVE :: jw1 = 5.576 ! nm \n REAL, SAVE :: jw2 = 6.601 ! nm \n REAL, SAVE :: jw3 = 2.187 ! nm \n REAL, SAVE :: jv1 = 0.0 ! cm-1 \n REAL, SAVE :: jv2 = 825.518 ! cm-1\n REAL, SAVE :: jc = 0.0765 \n REAL, SAVE :: jR = 0.695 ! cm-1/K\n REAL jq1, jq2, jq112, jq212\n REAL jTEMP, jT300\n\nC...\n\n REAL ZAIR( NJ ) ! air concentration profile\n REAL ZT ( NJ ) ! temperature profile\n\n REAL CSO3W1( NWLO3 ) ! temp O3 CS on t coef wl's\n REAL CSO3W2( MXWL ) ! temp O3 CS on ET's wls\n REAL WLO3L( NWLO3+1 ) ! lower wl's for O3 c-s temp coef.\n DATA WLO3L /\n & 263.158, 266.667, 270.270, 273.973, 277.778,\n & 281.690, 285.714, 289.855, 294.118, 298.500,\n & 302.500, 303.500, 304.500, 305.500, 306.500,\n & 307.500, 308.500, 309.500, 310.500, 311.500,\n & 312.500, 313.500, 314.500, 317.500, 322.500,\n & 327.500, 332.500, 337.500, 342.500, 347.500 /\n SAVE WLO3L\n\n REAL SO3TX( NWLO3, 3 ) ! O3 c-s temperature cooef.\n DATA ( SO3TX( IWLO3, 1 ), IWLO3 = 1, NWLO3 ) /\n & 9.630E+00, 8.320E+00, 6.880E+00, 5.370E+00, 3.960E+00,\n & 2.710E+00, 1.750E+00, 1.060E+00, 5.960E-01, 3.330E-01,\n & 2.400E-01, 2.100E-01, 1.800E-01, 1.600E-01, 1.400E-01,\n & 1.200E-01, 1.050E-01, 9.000E-02, 8.000E-02, 7.000E-02,\n & 6.000E-02, 5.500E-02, 4.000E-02, 2.190E-02, 1.010E-02,\n & 5.080E-03, 2.120E-03, 8.290E-04, 2.940E-04 /\n\n DATA ( SO3TX( IWLO3, 2 ), IWLO3 = 1, NWLO3 ) /\n & 1.190E-03, 3.640E-04, 2.460E-04, 1.030E-03, 1.690E-03,\n & 1.450E-03, 8.940E-04, 7.830E-04, 4.940E-04, 3.550E-04,\n & 2.950E-04, 2.750E-04, 2.500E-04, 2.300E-04, 2.080E-04,\n & 1.860E-04, 1.640E-04, 1.450E-04, 1.280E-04, 1.121E-04,\n & 1.000E-04, 9.200E-05, 7.500E-05, 4.830E-05, 3.430E-05,\n & 1.820E-05, 8.850E-06, 4.270E-06, 5.300E-06 /\n\n DATA ( SO3TX( IWLO3, 3 ), IWLO3 = 1, NWLO3 ) /\n & -1.740E-05, 2.470E-06, 1.170E-05, 1.260E-06,-6.860E-06,\n & -2.890E-06, 3.590E-06, 2.000E-06, 3.660E-06, 2.600E-06,\n & 2.170E-06, 1.950E-06, 1.380E-06, 1.650E-06, 1.550E-06,\n & 1.460E-06, 1.340E-06, 1.210E-06, 1.130E-06, 1.060E-06,\n & 9.400E-07, 8.700E-07, 7.500E-07, 5.200E-07, 2.660E-07,\n & 1.630E-07, 1.260E-07, 8.710E-08, 3.500E-08 /\n SAVE SO3TX\n\nC...........EXTERNAL FUNCTIONS and their descriptions:\n\n INTEGER INDEX2 ! index of array for a string\n\nC*********************************************************************\nC begin body of subroutine SUBGRID2\n\n IF ( FIRSTIME ) THEN\n\nC... Setup indices for reactions\n\n IO3O1D = INDEX2( 'O3O1D', NPHOTAB, PHOTAB )\n IF ( IO3O1D .EQ. 0 ) IO3O1D = INDEX2( 'O3_O1D', NPHOTAB, PHOTAB )\n\n IO3O3P = INDEX2( 'O3O3P', NPHOTAB, PHOTAB )\n IF ( IO3O3P .EQ. 0 ) IO3O3P = INDEX2( 'O3_O3P', NPHOTAB, PHOTAB )\n\n IHCHOM = INDEX2( 'HCHOM', NPHOTAB, PHOTAB )\n IF ( IHCHOM .EQ. 0 ) IHCHOM = INDEX2( 'HCHO_M', NPHOTAB, PHOTAB )\n IF ( IHCHOM .EQ. 0 ) IHCHOM = INDEX2( 'FORM_M', NPHOTAB, PHOTAB )\n\n IHCHOR = INDEX2( 'HCHOR', NPHOTAB, PHOTAB )\n IF ( IHCHOR .EQ. 0 ) IHCHOR = INDEX2( 'HCHO_R', NPHOTAB, PHOTAB )\n IF ( IHCHOR .EQ. 0 ) IHCHOR = INDEX2( 'FORM_R', NPHOTAB, PHOTAB )\n\n IALD = INDEX2( 'ALD', NPHOTAB, PHOTAB )\n IF (IALD .EQ. 0) IALD = INDEX2( 'CCHO', NPHOTAB, PHOTAB )\n\n IACETONE= INDEX2( 'ACET_', NPHOTAB, PHOTAB )\n IF (IACETONE .EQ. 0) IACETONE = INDEX2( 'CH3COCH3', NPHOTAB, PHOTAB )\n\n IKETONE = INDEX2( 'KET', NPHOTAB, PHOTAB )\n\n IGLYF = INDEX2( 'GLYF', NPHOTAB, PHOTAB )\n\n IGLYM = INDEX2( 'GLY_07M', NPHOTAB, PHOTAB )\n IF( IGLYM .EQ. 0 ) IGLYM = INDEX2( 'GLYH2', NPHOTAB, PHOTAB )\n\n IGLY_R = INDEX2( 'GLY_07R', NPHOTAB, PHOTAB )\n IF( IGLY_R .EQ. 0 ) IGLY_R = INDEX2( 'GLYHX', NPHOTAB, PHOTAB )\n \n IMGLY = INDEX2( 'MGLY', NPHOTAB, PHOTAB )\n \n write(6,*) 'Photolysis pressure/temperature dependencies:'\n write(6,*) '0: disabled; >0 enabled'\n write(6,*) ''\n write(6,*) 'O3 O3P', IO3O3P\n write(6,*) 'O3 O1D', IO3O1D\n write(6,*) 'formaldehyde 2*HO2:', IHCHOR\n write(6,*) 'formaldehyde H2', IHCHOM\n write(6,*) 'Acetaldehyde:', IALD\n write(6,*) 'Acetone:', IACETONE\n write(6,*) 'Ketone:', IKETONE\n write(6,*) 'Glyoxal formaldehyde:', IGLYF\n write(6,*) 'Glyoxal molecular', IGLYM\n write(6,*) 'Glyoxal radical', IGLY_R\n write(6,*) 'Methyl glyoxal', IMGLY\n\nC...check to see if O1D is from IUPAC, NASA94, or RADM data\n\n IF ( IO3O1D .GT. 0 ) THEN\n IF ( INDEX( PHOTAB( IO3O1D ), 'IUPAC04' ) .GT. 0 ) THEN\n SRO1D = 'IUPAC04'\n ELSE IF ( INDEX( PHOTAB( IO3O1D ), 'IUPAC10' ) .GT. 0 ) THEN\n SRO1D = 'IUPAC10'\n ELSE IF ( INDEX( PHOTAB( IO3O1D ), 'NASA94' ) .GT. 0 ) THEN\n SRO1D = 'NASA94'\n ELSE IF ( INDEX( PHOTAB( IO3O1D ), 'NASA06' ) .GT. 0 ) THEN\n SRO1D = 'NASA06'\n ELSE IF ( INDEX( PHOTAB( IO3O1D ), 'JPL06-2' ) .GT. 0 ) THEN\n SRO1D = 'JPL06-2'\n ELSE IF ( INDEX( PHOTAB( IO3O1D ), 'RADM' ) .GT. 0 ) THEN\n SRO1D = 'RADM'\n ELSE\n SRO1D = 'JPL06-2'\n END IF\n END IF\n\n FIRSTIME = .FALSE.\n \n END IF\n \n DZ = 1.0E+05\n DZCLD = 1.0E+05 / FLOAT( NSUBKM )\n\nC...levels\n\n ILEV = 0\n DO I = 1, IBASE - 1\n ILEV = ILEV + 1\n Z ( ILEV ) = FLOAT( I - 1 )\n ZAIR( ILEV ) = AIR( I )\n ZT ( ILEV ) = T( I )\n END DO\n\n DO I = IBASE, ITOP-1\n HLOCAL = 1.0 / ALOG( AIR( I ) / AIR( I + 1 ) )\n DO K = 1, NSUBKM\n X0 = FLOAT( K - 1 ) * DZCLD / DZ\n X1 = 1.0 - X0\n ILEV = ILEV + 1\n Z ( ILEV ) = FLOAT( I - 1 ) + X0\n ZAIR( ILEV ) = AIR( I ) * EXP( -X0 / HLOCAL )\n ZT ( ILEV ) = X0 * T( I + 1 ) + X1 * T( I )\n END DO\n END DO\n\n DO I = ITOP, 51\n ILEV = ILEV + 1\n Z ( ILEV ) = FLOAT( I - 1 )\n ZAIR( ILEV ) = AIR( I )\n ZT ( ILEV ) = T( I )\n END DO\n\n Z ( NLEVS ) = 51.0\n ZAIR( NLEVS ) = AIR( 51 ) * EXP( -1.0 / HAIR )\n ZT ( NLEVS ) = T( 51 ) + ( T( 51 ) - T( 50 ) )\n\nC...assign default yields\n\n DO ILEV = 1, NLEVS\n DO IWL = 1, NWL\n DO IPHOT = 1, NPHOTAB\n QYZ( ILEV, IWL, IPHOT ) = QY( IWL, IPHOT )\n CSZ( ILEV, IWL, IPHOT ) = CS( IWL, IPHOT )\n END DO\n END DO\n END DO\n\nC...correct absorption cross sections for T and P\n\n IF ( ( IO3O1D .GT. 0 ) .AND. ( IO3O3P .GT. 0 ) ) THEN\n DO ILEV = 1, NLEVS ! level loop\n\nC...compute O3 cross sections for wavelength bands corresponding\nC... to the reference data for the temperature coefficients\n\n TDIFFX = ZT( ILEV ) - 230.0\n DO IWLO3 = 1, NWLO3 ! wavelength loop\n CSO3W1( IWLO3 ) = 1.0E-18 * ( SO3TX( IWLO3, 1 )\n & + SO3TX( IWLO3, 2 ) * TDIFFX\n & + SO3TX( IWLO3, 3 ) * TDIFFX * TDIFFX )\n END DO ! wavelength loop\n\nC...now transfrom the computed O3 cross sections from their\nC... reference wavelength bands to the same wavelength bands\nC... as the extraterrestrial irradiance data\n\n CALL INTAVG ( WLO3L, CSO3W1, NWLO3+1, TYPE,\n & STWL, ENDWL, CSO3W2, NWL )\n\nC...replace the O3 cross sections data only within the wavelengths\nC... which are sensitive to temperature changes\n\n DO IWL = 1, NWL ! wavelength loop\n IF ( ( STWL( IWL ) .GE. 263.158 ) .AND. \n & ( ENDWL( IWL ) .LE. 347.5 ) ) THEN\n CSZ( ILEV, IWL, IO3O1D ) = CSO3W2( IWL )\n CSZ( ILEV, IWL, IO3O3P ) = CSZ( ILEV, IWL, IO3O1D )\n END IF\n END DO ! wavelength loop\n END DO ! level loop\n\n END IF\n\nC...Adjust quantum yields for temperature dependencies\n\nC...O3O1D: jpl06-2 and iupac04\n \n IF ( ( SRO1D .EQ. 'IUPAC10' ) .OR. ( SRO1D .EQ. 'IUPAC04' ) \n & .OR. ( SRO1D .EQ. 'JPL06-2' ) .OR. SRO1D .EQ. 'NASA06' ) THEN\n\n DO ILEV = 1, NLEVS ! level loop\n jTEMP = MIN( 320.0, MAX( 200.0, ZT( ILEV ) ) )\n jq1 = EXP( -jv1 / ( jR * jTEMP ) )\n jq2 = EXP( -jv2 / ( jR * jTEMP ) )\n jq112 = jq1 / ( jq1 + jq2 )\n jq212 = jq2 / ( jq1 + jq2 )\n jT300 = jTEMP / 300\n\n DO IWL = 1, NWL ! wavelength loop\n XL = MIDWL( IWL )\n IF ( ( XL .GE. 305.0 ) .AND. ( XL .LE. 328.0 ) ) THEN\n QYZ( ILEV, IWL, IO3O1D ) = jq112 * jA1\n & * EXP( -( ( jX1 - XL ) / jw1 )**4 )\n & + jq212 * jA2 * jT300**2\n & * EXP( -( ( jX2 - XL ) / jw2 )**2 )\n & + jA3 * jT300**1.5\n & * EXP( -( ( jX3 - XL ) / jw3 )**2 )\n & + jC\n END IF\n END DO ! wavelength loop\n\n END DO ! level loop\n END IF ! jpl06-2 and iupac04\n \nC...O3O1D: radm\n\n IF ( SRO1D .EQ. 'RADM' ) THEN\n DO ILEV = 1, NLEVS ! level loop\n\n TR1 = ZT( ILEV ) - 230.0\n A = 0.9 * ( 0.369\n & + 2.85E-4 * TR1\n & + 1.28E-5 * TR1 * TR1\n & + 2.57E-8 * TR1 * TR1 * TR1 )\n B = - 0.575\n & + 5.59E-3 * TR1\n & - 1.439E-5 * TR1 * TR1\n & - 3.27E-8 * TR1 * TR1 * TR1\n C = 0.9 * ( 0.518\n & + 9.87E-4 * TR1\n & - 3.94E-5 * TR1 * TR1\n & + 3.91E-7 * TR1 * TR1 * TR1 )\n XL0 = 308.20\n & + 4.4871E-2 * TR1\n & + 6.9380E-5 * TR1 * TR1\n & - 2.5452E-6 * TR1 * TR1 * TR1\n\n DO IWL = 1, NWL ! wavelength loop\n XL = MIDWL( IWL )\n QYZ( ILEV, IWL, IO3O1D ) = A * ATAN( B * ( XL - XL0 ) ) + C\n IF ( QYZ( ILEV, IWL, IO3O1D ) .LT. 0.0 ) THEN\n QYZ( ILEV, IWL, IO3O1D ) = 0.0\n ELSE IF ( QYZ( ILEV, IWL, IO3O1D ) .GT. 0.9 ) THEN\n QYZ( ILEV, IWL, IO3O1D ) = 0.9\n END IF\n END DO ! wavelength loop\n\n END DO ! level loop\n END IF ! radm o3o1d\n\nC...O3O1D: nasa94\n \n IF ( SRO1D .EQ. 'NASA94' ) THEN\n DO ILEV = 1, NLEVS ! level loop\n\n TN1 = 298.0 - ZT( ILEV )\n A0 = 0.94932 - 1.7039E-4 * TN1 + 1.4072E-6 * TN1 * TN1\n A1 = -2.4052E-2 + 1.0479E-3 * TN1 - 1.0655E-5 * TN1 * TN1\n A2 = 1.8771E-2 - 3.6401E-4 * TN1 - 1.8587E-5 * TN1 * TN1\n A3 = -1.454E-2 - 4.7787E-5 * TN1 + 8.1277E-6 * TN1 * TN1\n A4 = 2.3287E-3 + 1.9891E-5 * TN1 - 1.1801E-6 * TN1 * TN1\n A5 = -1.4471E-4 - 1.7188E-6 * TN1 + 7.2661E-8 * TN1 * TN1\n A6 = 3.183E-6 + 4.6209E-8 * TN1 - 1.6266E-9 * TN1 * TN1\n\n DO IWL = 1, NWL ! wavelength loop\n XL = MIDWL( IWL )\n IF ( XL .LT. 290.0 ) THEN\n QYZ( ILEV, IWL, IO3O1D ) = 0.9\n ELSE IF ( ( XL .GE. 290.0 ) .AND. ( XL .LT. 305.0 ) ) THEN\n QYZ( ILEV, IWL, IO3O1D ) = 0.95\n ELSE IF ( ( XL .GE. 305.0 ) .AND. ( XL .LE. 320.0 ) ) THEN\n DXL = MIDWL( IWL ) - 305.0\n QYZ( ILEV, IWL, IO3O1D ) = A0 + A1 * DXL\n & + A2 * DXL**2 + A3 * DXL**3\n & + A4 * DXL**4 + A5 * DXL**5\n & + A6 * DXL**6\n IF ( QYZ( ILEV, IWL, IO3O1D ) .LT. 0.02 ) THEN\n QYZ( ILEV, IWL, IO3O1D ) = 0.0\n END IF\n ELSE IF ( XL .GT. 320.0 ) THEN\n QYZ( ILEV, IWL, IO3O1D ) = 0.0\n END IF\n END DO ! wavelength loop\n\n END DO ! level loop\n END IF ! nasa94 o3o1d\n \nC...O3O3P\nC... The yields for O3->O(3P) are calculated as: (1.- singlet D yield)\n\n IF ( ( IO3O3P .GT. 0 ) .AND. ( IO3O1D .GT. 0 ) ) THEN\n DO ILEV = 1, NLEVS ! level loop\n DO IWL = 1, NWL ! wavelength loop\n QYZ( ILEV, IWL, IO3O3P ) = 1.0 - QYZ( ILEV, IWL, IO3O1D )\n END DO ! wavelength loop\n END DO ! level loop\n END IF\n\nC...CH2O formaldehyde:\nC... the CH2O yield recalculated only for wavelengths longer than 329 nm\n\n IF ( ( IHCHOM .GT. 0 ) .AND. ( IHCHOR .GT. 0 ) ) THEN\n \n DO ILEV = 1, NLEVS ! level loop\n DO IWL = 1, NWL ! wavelength loop\n IF ( ( XL .GE. 330.0 ) .AND.\n & ( QYZ( ILEV, IWL, IHCHOM ) .GT. 0.0 ) ) THEN\n PHI1 = QYZ( ILEV, IWL, IHCHOR )\n PHI2 = QYZ( ILEV, IWL, IHCHOM )\n PHI20 = 1.0 - PHI1\n AK300 = ( ( 1.0 / PHI2 ) - ( 1.0 / PHI20 ) ) / 2.54E+19\n AKT = AK300 * ( 1.0 + 61.69 * ( 1.0 - ZT( ILEV ) / 300.0 )\n & * ( XL / 329.0 - 1.0 ) )\n QYZ( ILEV, IWL, IHCHOM ) = 1.0 / ( ( 1.0 / PHI20 )\n & + ZAIR( ILEV ) * AKT )\n END IF\n \n IF ( QYZ( ILEV, IWL, IHCHOM ) .GT. 1.0 ) THEN\n QYZ( ILEV, IWL, IHCHOM ) = 1.0\n ELSE IF ( QYZ( ILEV, IWL, IHCHOM ) .LT. 0.0 ) THEN\n QYZ( ILEV, IWL, IHCHOM ) = 0.0\n END IF\n END DO ! wavelength loop\n END DO ! level loop\n\n END IF\n\nC...CH3CHO and the dicarbonyls yields are calculated\nC... from the NTP yield by linear adjustment to 1/yield. \nC...Ketones yield is calculated from fit equations\n\n\nC...CH3CHO acetaldehyde:\n\n IF ( IALD .GT. 0 ) THEN\n DO ILEV = 1, NLEVS ! level loop\n DO IWL = 1, NWL ! wavelength loop\n IF ( QY( IWL, IALD ) .NE. 0.0 ) THEN\n QYZ( ILEV, IWL, IALD ) = 1.0 /\n & ( 1.0 + (1.0 / QY( IWL, IALD )\n & - 1.0 ) * ZAIR( ILEV ) / 2.465E19 )\n END IF\n END DO ! wavelength loop\n END DO ! level loop\n\n END IF\n\nC...ACETONE + HV -> CH3CO. + CH3.\n\n IF ( IACETONE .GT. 0 ) THEN\n DO ILEV = 1, NLEVS ! level loop\n DO IWL = 1, NWL ! wavelength loop\n QYZ( ILEV, IWL, IACETONE ) = 0.0766 + 0.09415\n & * EXP( -ZAIR( ILEV ) / 3.222E18 )\n END DO ! wavelength loop\n END DO ! level loop\n END IF\n\nC...CH3COC2H5 + hv -> ACO3 + ETH\n\n IF ( IKETONE .GT. 0 ) THEN\n DO ILEV = 1, NLEVS ! level loop\n DO IWL = 1, NWL ! wavelength loop\n QYZ( ILEV, IWL, IKETONE ) = 0.0766 + 0.09415\n & * EXP( -ZAIR( ILEV ) / 3.222E18 )\n END DO ! wavelength loop\n END DO ! level loop\n END IF\n\nC...HCOCHO glyoxal PROCESS A:\n\n IF ( IGLYF .GT. 0 ) THEN\n DO ILEV = 1, NLEVS ! level loop\n DO IWL = 1, NWL ! wavelength loop\n IF ( QY( IWL, IGLYF ) .NE. 0.0 ) THEN\n QYZ( ILEV, IWL, IGLYF ) = 1.0 / ( 1.0\n & + (1.0 / QY( IWL, IGLYF ) - 1.0 )\n & * ZAIR( ILEV ) / 2.465E19 )\n END IF\n END DO ! wavelength loop\n END DO ! level loop\n END IF\n\nC...HCOCHO glyoxal PROCESS B:\n\n IF ( IGLYM .GT. 0 ) THEN\n DO ILEV = 1, NLEVS ! level loop\n DO IWL = 1, NWL ! wavelength loop\n IF ( QY( IWL, IGLYM ) .NE. 0.0 ) THEN\n QYZ( ILEV, IWL, IGLYM ) = 1.0 / ( 1.0 \n & + (1.0 / QY( IWL, IGLYM ) - 1.0 )\n & * ZAIR( ILEV ) / 2.465E19 )\n END IF\n END DO ! wavelength loop\n END DO ! level loop\n END IF\n\nC...Glyoxal + hv = 2 HCO\n\n IF ( IGLY_R .GT. 0 ) THEN\n DO ILEV = 1, NLEVS ! level loop\n DO IWL = 1, NWL ! wavelength loop\n IF ( QY( IWL, IGLY_R ) .NE. 0.0 ) THEN\n QYZ( ILEV, IWL, IGLY_R ) = 1.0 / ( 1.0 \n & + (1.0 / QY( IWL, IGLY_R ) - 1.0 )\n & * ZAIR( ILEV ) / 2.465E19 )\n END IF\n END DO ! wavelength loop\n END DO ! level loop\n END IF\n\nC...CH3COCHO methylglyoxal:\n\n IF ( IMGLY .GT. 0 ) THEN\n DO ILEV = 1, NLEVS ! level loop\n DO IWL = 1, NWL ! wavelength loop\n IF ( QY( IWL, IMGLY ) .NE. 0.0) THEN\n QYZ( ILEV, IWL, IMGLY ) = 1.0 / ( 1.0 \n & + ( 1.0 / QY( IWL, IMGLY ) - 1.0 )\n & * ZAIR( ILEV ) / 2.465E19 )\n END IF\n END DO ! wavelength loop\n END DO ! level loop\n END IF\n\nC...layers\n\n ILAY = 0\n DO I = 1, IBASE-1\n ILAY = ILAY + 1\n ZMID( ILAY ) = FLOAT( I - 1 ) + 0.5\n VAIR( ILAY ) = DZ * ( AIR( I + 1 ) - AIR( I ) )\n & / ALOG( AIR( I + 1 ) / AIR( I ) )\n VO3 ( ILAY ) = DZ * ( O3( I + 1 ) + O3( I ) ) / 2.0\n VCLD( ILAY ) = 0.0\n VAER( ILAY ) = ( AER( I + 1 ) - AER( I ) )\n & / ALOG( AER( I + 1 ) / AER( I ) )\n VT ( ILAY ) = ( T( I + 1 ) + T( I ) ) / 2.0\n END DO\n\n DO I = IBASE, ITOP - 1\n HLOCA1 = 1.0 / ALOG( AIR( I ) / AIR( I + 1 ) )\n HLOCA2 = 1.0 / ALOG( AER( I ) / AER( I + 1 ) )\n DO K = 1, NSUBKM\n X0 = ( FLOAT( K - 1 ) + 0.5 ) * DZCLD / DZ\n X1 = 1.0 - X0\n ILAY = ILAY + 1\n ZMID( ILAY ) = FLOAT( I ) + X0\n DZ1 = X0 - 0.5 * DZCLD / DZ\n DZ2 = X0 + 0.5 * DZCLD / DZ\n VAIR( ILAY ) = AIR( I ) * HLOCA1 * 1.0E5\n & * ( EXP( -DZ1 / HLOCA1 )\n & - EXP( -DZ2 / HLOCA1 ) )\n VO3 ( ILAY ) = DZCLD * ( X0 * O3( I + 1 ) + X1 * O3( I ) )\n VCLD( ILAY ) = CLOUD( NSUBKM * ( I - IBASE ) + K )\n VAER( ILAY ) = AER( I ) * HLOCA2\n & * ( EXP( -DZ1 / HLOCA2 )\n & - EXP( -DZ2 / HLOCA2 ) )\n VT( ILAY ) = X0 * T( I + 1 ) + X1 * T( I )\n END DO\n END DO\n\n DO I = ITOP, 50\n ILAY = ILAY + 1\n ZMID( ILAY ) = FLOAT( I - 1 ) + 0.5\n VAIR( ILAY ) = DZ * ( AIR( I + 1 ) - AIR( I ) )\n & / ALOG( AIR( I + 1 ) / AIR( I ) )\n VO3 ( ILAY ) = DZ * ( O3( I + 1 ) + O3( I ) ) / 2.0\n VCLD( ILAY ) = 0.0\n VAER( ILAY ) = ( AER( I + 1 ) - AER( I ) )\n & / ALOG( AER( I + 1 ) / AER( I ) )\n VT ( ILAY ) = ( T( I + 1 ) + T( I ) ) / 2.0\n END DO\n ZMID( NLAYS ) = 50.5\n VAIR( NLAYS ) = DZ * HAIR * AIR( 51 )\n VO3 ( NLAYS ) = DZ * HO3 * O3( 51 )\n VCLD( NLAYS ) = 0.0\n VAER( NLAYS ) = HAER * AER( 51 )\n VT ( NLAYS ) = T( 51 )\n\nC...normalize aerosol optical depth to unity sum\n\n SUM = 0.0\n DO ILAY = 1, NLAYS\n SUM = SUM + VAER( ILAY )\n END DO\n DO ILAY = 1, NLAYS\n VAER( ILAY ) = VAER( ILAY ) / SUM\n END DO\n\nC...calculated vertical column of O2 above the midpoint of each layer:\nC... want to use this for computing the average Schumann-Runge cross \nC... section in each layer.\nC... so use half of current layer and half of previous higher layer\n\n CVO2( NLAYS ) = 0.2095 * VAIR( NLAYS ) / 2.0\n DO II = 2, NLAYS\n ILAY = NLAYS - II + 1\n CVO2( ILAY ) = CVO2( ILAY + 1 ) + 0.2095 * ( VAIR( ILAY )\n & + VAIR( ILAY + 1 ) ) / 2.0\n END DO\n\nC...correct attenuation coefficients for pressure and/or temperature\nC... dep. for now do only ozone absorption.\n\n DO ILAY = 1, NLAYS ! layer loop\n\nC...compute O3 cross sections for wavelength bands corresponding\nC... to the reference data for the temperature coefficients\n\n TDIFFX = VT( ILAY ) - 230.0\n DO IWLO3 = 1, NWLO3\n CSO3W1( IWLO3 ) = 1.0E-18 * ( SO3TX( IWLO3, 1 )\n & + SO3TX( IWLO3, 2 ) * TDIFFX\n & + SO3TX( IWLO3, 3 ) * TDIFFX * TDIFFX )\n END DO\n\nC...now transfrom the computed O3 cross sections from their\nC... reference wavelength bands to the same wavelength bands\nC... as the extraterrestrial irradiance data\n\n CALL INTAVG ( WLO3L, CSO3W1, NWLO3+1, TYPE,\n & STWL, ENDWL, CSO3W2, NWL )\n\nC...replace the O3 cross sections data only within the wavelengths\nC... which are sensitive to temperature changes\n\n DO IWL = 1, NWL\n AO3( ILAY, IWL ) = O3ABS( IWL )\n IF ( ( STWL( IWL ) .GE. 263.158 ) .AND. \n & ( ENDWL( IWL ) .LE. 347.5 ) ) THEN\n AO3( ILAY, IWL ) = CSO3W2( IWL )\n END IF\n END DO\n\n END DO ! layer loop\n\n RETURN\n END\n" }, { "path": "UTIL/jproc/src/common/tridiag.f", "content": "\n!-----------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies!\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!-----------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/JPROC/src/driver/jproc_table/tridiag.f,v 1.5 2011/10/29 01:03:56 sjr Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC @(#)tridiag.F\t1.1 /project/mod3/JPROC/src/driver/jproc_table/SCCS/s.tridiag.F 23 May 1997 12:44:32\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE TRIDIAG ( A, B, E, D, U, N )\nC-----------------------------------------------------------------------\nC\nC FUNCTION:\nC Solves tridiagonal system by Thomas algorithm. Algorithm fails\nC if first pivot is zero. In that case, rewrite the\nC equation as a set of order N-1, with U(2) trivially eliminated.\nC The associated tri-diagonal system is stored in 3 arrays\nC B: diagonal\nC A: sub-diagonal\nC E: super-diagonal\nC D: right hand side function\nC U : return solution from tridiagonal solver\nC\nC [ B(1) E(1) 0 0 0 ... 0 ]\nC [ A(2) B(2) E(2) 0 0 ... . ]\nC [ 0 A(3) B(3) E(3) 0 ... . ]\nC [ . . . . . ] U(i) = D(i)\nC [ . . . . 0 ]\nC [ . . . . ]\nC [ 0 A(n) B(n) ]\nC\nC PRECONDITIONS REQUIRED:\nC\nC SUBROUTINES AND FUNCTIONS CALLED:\nC\nC REVISION HISTORY:\nC NO. DATE WHO WHAT\nC __ ____ ___ ____\nC 4 4/3/96 SJR copied code and modified for use in JPROC\nC 3 8/16/94 XKX configuration management include statements\nC 2 3/15/92 CJC For use in Models-3 LCM.\nC 1 10/19/89 JKV converted for use on IBM\nC 0 3/89 BDX Initial version\nC yoj\nC-----------------------------------------------------------------------\n\n IMPLICIT NONE\n\n INTEGER, PARAMETER :: NMAX = 400\n\nC...ARGUMENTS and their descriptions:\n\n INTEGER N ! number of rows in matrix\n\n REAL A( NMAX ) ! subdiagonal\n REAL B( NMAX ) ! diagonal\n REAL E( NMAX ) ! superdiagonal\n REAL D( NMAX ) ! R.H. side\n REAL U( NMAX ) ! solution\n\nC SCRATCH LOCAL VARIABLES and their descriptions:\n\n INTEGER J ! loop index\n\n REAL BET !\n REAL GAM( NMAX ) ! \n\nC...begin body of subroutine TRIDIAG\nC... Decomposition and forward substitution:\n\n BET = 1.0 / B( 1 )\n U( 1 ) = BET * D( 1 )\n\n DO J = 2, N \n GAM( J ) = BET * E( J - 1 )\n BET = 1.0 / ( B( J ) - A( J ) * GAM( J ) )\n U( J ) = BET * ( D( J ) - A( J ) * U( J - 1) )\n END DO\n\nC...Back-substitution:\n\n DO J = N - 1, 1, -1 \n U( J ) = U( J ) - GAM( J + 1 ) * U( J + 1 )\n END DO\n\n RETURN\n END\n" }, { "path": "UTIL/jproc/src/common/twostr.f", "content": "\n!-----------------------------------------------------------------------!\n! The Community Multiscale Air Quality (CMAQ) system software is in !\n! continuous development by various groups and is based on information !\n! from these groups: Federal Government employees, contractors working !\n! within a United States Government contract, and non-Federal sources !\n! including research institutions. These groups give the Government !\n! permission to use, prepare derivative works of, and distribute copies!\n! of their work in the CMAQ system to the public and to permit others !\n! to do so. The United States Environmental Protection Agency !\n! therefore grants similar permission to use the CMAQ system software, !\n! but users are requested to provide copies of derivative works or !\n! products designed to operate in the CMAQ system to the United States !\n! Government without restrictions as to use by others. Software !\n! that is used with the CMAQ system but distributed under the GNU !\n! General Public License or the GNU Lesser General Public License is !\n! subject to their copyright restrictions. !\n!-----------------------------------------------------------------------!\n\n\nC RCS file, release, date & time of last delta, author, state, [and locker]\nC $Header: /project/yoj/arc/JPROC/src/driver/jproc_table/twostr.f,v 1.5 2011/10/29 01:03:56 sjr Exp $ \n\nC what(1) key, module and SID; SCCS file; date and time of last delta:\nC @(#)twostr.F\t1.1 /project/mod3/JPROC/src/driver/jproc_table/SCCS/s.twostr.F 23 May 1997 12:44:32\n\nC:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::\n SUBROUTINE TWOSTR ( NLEVEL, MU, RSFC, TAUU, OMU, GU,\n & FDR, FUP, FDN, EDR, EUP, EDN )\n\nC*********************************************************************\nC\nC TWO-STREAM EQUATIONS FOR MULTIPLE LAYERS\nC based on equations from Toon et al., Journal of Geophysical Research\nC Volume 94, #D13 Nov. 20, 1989 Issue \nC programmed by: Kathleen G. Mosher\nC for Sasha Madronich, N.C.A.R. A.C.D.\nC\nC Now it contains 9 two-stream methods to choose from.\nC programmed on 05.26.94 by: Irina V.Petropavlovskikh\nC for Sasha Madronich, N.C.A.R. A.C.D.\nC\nC*********************************************************************\n\n IMPLICIT NONE\n\nC...........PARAMETERS and their descriptions\n\n INTEGER, PARAMETER :: KZ = 200 ! maximum levels\n INTEGER, PARAMETER :: NROWS = 2 * KZ\n \n REAL, PARAMETER :: EPS = 1.0E-3\n REAL, PARAMETER :: PRECIS = 1.0E-7\n REAL, PARAMETER :: PI = 3.1415926535898\n\nC...........ARGUMENTS and their descriptions\n\n INTEGER NLEVEL ! number of levels\n\n REAL MU ! cosine of solar zenith angle\n REAL RSFC ! surface albedo\n REAL EDN ( KZ ) ! \n REAL EDR ( KZ ) ! \n REAL EUP ( KZ ) ! \n REAL FDN ( KZ ) ! \n REAL FDR ( KZ ) ! \n REAL FUP ( KZ ) ! \n REAL GU ( KZ ) ! unscaled asymmetry factor\n REAL OMU ( KZ ) ! unscaled single scattering albedo\n REAL TAUU( KZ ) ! unscaled optical depth of each layer\n\n\nC...........LOCAL VARIABLES and their descriptions:\n\n INTEGER I\n INTEGER J\n INTEGER LEV\n INTEGER MROWS\n INTEGER NLAYER ! number of layers in the atmosphere\n INTEGER ROW\n\n REAL DIVISR\n REAL DN\n REAL EXPON\n REAL EXPON0\n REAL EXPON1\n REAL F\n REAL FDN0\n REAL G\n REAL GAM1\n REAL GAM2\n REAL GAM3\n REAL GAM4\n REAL OM\n REAL PIFS\n REAL SSFC\n REAL TAU\n REAL TAUC\n REAL TAUG\n REAL TEMP\n REAL TEMPG\n REAL UP\n REAL BGAM ( KZ )\n REAL CDN ( KZ )\n REAL CDNTN( KZ )\n REAL CUP ( KZ )\n REAL CUPTN( KZ )\n REAL E1 ( KZ )\n REAL E2 ( KZ )\n REAL E3 ( KZ )\n REAL E4 ( KZ )\n REAL LAM ( KZ )\n REAL MU1 ( KZ )\n REAL TAUN ( KZ )\n REAL A( NROWS )\n REAL B( NROWS )\n REAL D( NROWS )\n REAL E( NROWS )\n REAL Y( NROWS )\n\nC...For calculations of Associated Legendre Polynomials for GAMA1,2,3,4\nC in delta-function, modified quadrature, hemispheric constant,\nC Hybrid modified Eddington-delta function metods, p633,Table1.\nC W.E.Meador and W.R.Weaver, GAS,1980,v37,p.630\nC W.J.Wiscombe and G.W. Grams, GAS,1976,v33,p2440, \nC...uncomment the following two lines and the appropriate statements further\nC down.\nCCC REAL YLM0, YLM2, YLM4, YLM6, YLM8, YLM10, YLM12, YLMS, BETA0,\nCCC & BETA1, BETAn, amu1, subd\n\nC*********************************************************************\nC begin body of subroutine TWOSTR\n\nC...initial conditions: pi*solar flux = 1; diffuse incidence = 0\n\n PIFS = 1.0\n FDN0 = 0.0\n\n NLAYER = NLEVEL - 1\n\nC...compute coefficients for each layer:\nC... GAM1 - GAM4 = 2-stream coefficients, different for\nC... different approximations\nC... EXPON0 = calculation of e when TAU is zero\nC... EXPON1 = calculation of e when TAU is TAUN\nC... CUP and CDN = calculation when TAU is zero\nC... CUPTN and CDNTN = calc. when TAU is TAUN\nC... DIVISR = prevents division by zero\n\n TAUC = 0.\n DO I = 1, NLAYER\n\n G = GU ( I )\n TAU = TAUU( I )\n OM = OMU ( I )\n\nC...stay away from 1 by precision. For g, also stay away from -1\n\n TEMPG = AMIN1( ABS( G ), 1.0 - PRECIS )\n G = SIGN( TEMPG, G )\n OM = AMIN1( OM, 1.0 - PRECIS )\n\nC...delta-scaling. Have to be done for delta-Eddington approximation, \nC... delta discrete ordinate, Practical Improved Flux Method, delta function,\nC... and Hybrid modified Eddington-delta function methods approximations\n\n F = G * G\n G = ( G - F ) / ( 1.0 - F )\n TAUN( I ) = ( 1.0 - OM * F ) * TAU\n OM = ( 1.0 - F ) * OM / ( 1.0 - OM * F )\n\nC...the following gamma equations are from pg 16,289, Table 1\n\nC...Eddington approximation(Joseph et al., 1976, JAS, 33, 2452):\n\n GAM1 = ( 7.0 - OM * ( 4.0 + 3.0 * G ) ) / 4.0\n GAM2 = -( 1.0 - OM * ( 4.0 - 3.0 * G ) ) / 4.0\n GAM3 = ( 2.0 - 3.0 * G * MU ) / 4.0\n GAM4 = 1.0 - GAM3\n\nC...quadrature (Liou, 1973, JAS, 30, 1303-1326; 1974, JAS, 31, 1473-1475):\nC GAM1 = 1.7320508 * ( 2.0 - OM * ( 1.0 + G ) ) / 0.2\nC GAM2 = 1.7320508 * OM * ( 1.0 - G ) / 2.0\nC GAM3 = ( 1.0 - 1.7320508 * G * MU ) / 2.0\nC GAM4 = 1.0 - GAM3\n \nC...hemispheric mean (Toon et al., 1089, JGR, 94, 16287):\nC GAM1 = 2.0 - OM * ( 1.0 + G )\nC GAM2 = OM * ( 1.0 - G )\nC GAM3 = ( 2.0 - G * MU ) / 4.0\nC GAM4 = 1.0 - GAM3\n\nC...PIFM (Zdunkovski et al.,1980, Conrib.Atmos.Phys., 53, 147-166):\nC GAM1 = 0.25 * ( 8.0 - OM * ( 5.0 + 3.0 * G ) )\nC GAM2 = 0.75 * OM * ( 1.0 - G )\nC GAM3 = 0.25 * ( 2.0 -3.0 * G * MU )\nC GAM4 = 1.0 - GAM3\n\nC...delta discrete ordinates (Schaller, 1979, Contrib.Atmos.Phys, 52, 17-26):\nC GAM1 = 0.5 * 1.7320508 * ( 2.0 - OM * ( 1.0 + G ) )\nC GAM2 = 0.5 * 1.7320508 * OM * ( 1.0 - G )\nC GAM3 = 0.5 * (1.0 - 1.7320508 * G * MU )\nC GAM4 = 1.0 - GAM3\n\nC...Calculations of Associated Legendre Polynomials for GAMA1,2,3,4\nC... in delta-function, modified quadrature, hemispheric constant,\nC... Hybrid modified Eddington-delta function metods, p633,Table1.\nC... W.E.Meador and W.R.Weaver, GAS,1980,v37,p.630\nC... W.J.Wiscombe and G.W. Grams, GAS,1976,v33,p2440\nC YLM0 = 2.0\nC YLM2 = -3.0 * G * MU\nC YLM4 = 0.875 * G**3 * MU * ( 5.0 * MU**2 - 3.0 )\nC YLM6 = -0.171875 * G**5 * MU\nC & * ( 15.0 - 70.0 * MU**2 + 63.0 * MU**4 )\nC YLM8 = 0.073242 * G**7 * MU\nC & * ( -35.0 + 315.0 * MU**2 - 693.0 * MU**4 + 429.0 * MU**6 )\nC YLM10 = -0.008118 * G**9 * MU\nC & * ( 315.0 - 4620.0 * MU**2 + 18018.0 * MU**4 - 25740.0\nC & * MU**6 + 12155.0 * MU**8 )\nC YLM12 = 0.003685 * G**11 * MU\nC & * ( -693.0 + 15015.0 * MU**2 - 90090.0 * MU**4 + 218790.0\nC & * MU**6 - 230945.0 * MU**8 + 88179.0 * MU**10 )\nC YLMS = YLM0 + YLM2 + YLM4 + YLM6 + YLM8 + YLM10 + YLM12\nC YLMS = 0.25 * YLMS\nC BETA0 = YLMS\nC\nC AMU1 = 1.0 / 1.7320508\nC YLM0 = 2.0\nC YLM2 = -3.0 * G * AMU1\nC YLM4 = 0.875 * G**3 * AMU1 * ( 5.0 * AMU1**2 - 3.0 )\nC YLM6 = -0.171875 * G**5 * AMU1\nC & * ( 15.0 - 70.0 * AMU1**2 + 63.0 * AMU1**4 )\nC YLM8 = 0.073242 * G**7 * AMU1\nC & * ( -35.0 + 315.0 * AMU1**2 - 693.0 * AMU1**4\nC & + 429.0 * AMU1**6 )\nC YLM10 = -0.008118 * G**9 * AMU1\nC & * ( 315.0 - 4620.0 * AMU1**2 + 18018.0 * AMU1**4\nC & - 25740.0 * AMU1**6 + 12155.0 * AMU1**8 )\nC YLM12 = 0.003685 * G**11 * AMU1\nC & * ( -693.0 + 15015.0 * AMU1**2 - 90090.0 * AMU1**4\nC & + 218790.0 * AMU1**6 - 230945.0 * AMU1**8\nC & + 88179.0 * AMU1**10 )\nC YLMS = YLM0 + YLM2 + YLM4 + YLM6 + YLM8 + YLM10 + YLM12\nC YLMS = 0.25 * YLMS\nC BETA1 = YLMS\nC\nC BETAN = 0.25 * (2.0 - 1.5 * G - 0.21875 * G**3 - 0.085938 * G**5\nC & - 0.045776 * G**7 )\n\nC...Hybrid modified Eddington-delta function(Meador and Weaver,1980,JAS,37,630):\nC SUBD = 4.0 * (1.0 - G * G * ( 1.0 - MU ) )\nC GAM1 = ( 7.0 - 3.0 * G * G - OM * ( 4.0 + 3.0 * G )\nC & + OM * G * G * ( 4.0 * BETA0 + 3.0 * G ) ) / SUBD\nC GAM2 = -( 1.0 - G * G - OM * ( 4.0 - 3.0 * G )\nC & - OM * G * G * ( 4.0 * BETA0 + 3.0 * G - 4.0 ) ) / SUBD\nC GAM3 = BETA0\nC GAM4 = 1.0 - GAM3\n\nC...delta function (Meador, and Weaver, 1980, JAS, 37, 630):\nC GAM1 = ( 1.0 - OM * ( 1.0 - BETA0 ) ) / MU\nC GAM2 = OM * BETA0 / MU\nC GAM3 = BETA0\nC GAM4 = 1.0 - GAM3\n\nC...modified quadrature (Meador, and Weaver, 1980, JAS, 37, 630):\nC GAM1 = 1.7320508 * ( 1.0 - OM * (1.0 - BETA1 ) )\nC GAM2 = 1.7320508 * OM * BETA1\nC GAM3 = BETA0\nC GAM4 = 1.0 - GAM3\n\nC...hemispheric constant (Toon et al., 1989, JGR, 94, 16287):\nC GAM1 = 2.0 * (1.0 - OM * ( 1.0 - BETAN ) )\nC GAM2 = 2.0 * OM * BETAN\nC GAM3 = BETA0\nC GAM4 = 1.0 - GAM3\n\nC...save mu1 for use in converting irradiance to actinic flux\n\n MU1( I ) = ( 1 - OM ) / ( GAM1 - GAM2 )\n\nC...lambda = pg 16,290 equation 21\nC... big gamma = pg 16,290 equation 22\n \n LAM ( I ) = SQRT( GAM1 * GAM1 - GAM2 * GAM2 )\n BGAM( I ) = ( GAM1 - LAM( I ) ) / GAM2\n\n EXPON = EXP( -LAM( I ) * TAUN( I ) )\n\nC...e1 - e4 = pg 16,292 equation 44\n \n E1( I ) = 1.0 + BGAM( I ) * EXPON\n E2( I ) = 1.0 - BGAM( I ) * EXPON\n E3( I ) = BGAM( I ) + EXPON\n E4( I ) = BGAM( I ) - EXPON\n\nC...the following sets up for the C equations 23, and 24\nC... found on page 16,290\nC... prevent division by zero (if LAMBDA=1/MU, shift 1/MU^2 by EPS = 1.E-3\nC... which is approx equiv to shifting MU by 0.5*EPS* (MU)**3\n\n EXPON0 = EXP( -( TAUC ) / MU )\n EXPON1 = EXP( -( TAUC + TAUN( I ) ) / MU )\n\n DIVISR = LAM( I ) * LAM( I ) - 1.0 / ( MU * MU )\n TEMP = AMAX1( EPS, ABS( DIVISR ) )\n DIVISR = SIGN( TEMP, DIVISR )\n\n UP = OM * PIFS\n & * ( ( GAM1 - 1.0 / MU ) * GAM3 + GAM4 * GAM2 ) / DIVISR\n DN = OM * PIFS\n & * ( ( GAM1 + 1.0 / MU ) * GAM4 + GAM2 * GAM3 ) / DIVISR\n \nC...cup and cdn are when tau is equal to zero\nC... cuptn and cdntn are when tau is equal to taun\n\n CUP ( I ) = UP * EXPON0\n CDN ( I ) = DN * EXPON0\n CUPTN( I ) = UP * EXPON1\n CDNTN( I ) = DN * EXPON1\n\n TAUC = TAUC + TAUN( I )\n\n END DO\n\nC...set up matrix\nC... ssfc = pg 16,292 equation 37 where pi Fs is one (unity).\n\n SSFC = RSFC * MU * EXP( -TAUC / MU ) * PIFS\n\nC...MROWS = the number of rows in the matrix\n\n MROWS = 2 * NLAYER \n \nC...the following are from pg 16,292 equations 39 - 43.\nC... set up first row of matrix:\n\n I = 1\n A( 1 ) = 0.0\n B( 1 ) = E1( I )\n D( 1 ) = -E2( I )\n E( 1 ) = FDN0 - CDN( I )\n\n ROW = 1\n\nC...set up odd rows 3 thru (MROWS - 1):\n\n I = 0\n DO ROW = 3, MROWS - 1, 2\n I = I + 1\n A( ROW ) = E2( I ) * E3( I ) - E4( I ) * E1( I )\n B( ROW ) = E1( I ) * E1( I + 1 ) - E3( I ) * E3( I + 1 )\n D( ROW ) = E3( I ) * E4( I + 1 ) - E1( I ) * E2( I + 1 )\n E( ROW ) = E3( I ) * ( CUP( I + 1 ) - CUPTN( I ) )\n & + E1( I ) * ( CDNTN( I ) - CDN( I + 1 ) )\n END DO\n\nC...set up even rows 2 thru (MROWS - 2): \n\n I = 0\n DO ROW = 2, MROWS - 2, 2\n I = I + 1\n A( ROW ) = E2( I + 1 ) * E1( I ) - E3( I ) * E4( I + 1 )\n B( ROW ) = E2( I ) * E2( I + 1 ) - E4( I ) * E4( I + 1 )\n D( ROW ) = E1( I + 1) * E4( I + 1 ) - E2( I + 1 ) * E3( I + 1 )\n E( ROW ) = ( CUP( I + 1 ) - CUPTN( I ) ) * E2( I + 1 )\n & - ( CDN( I + 1 ) - CDNTN( I ) ) * E4( I + 1 )\n END DO\n\nC...set up last row of matrix at MROWS:\n\n ROW = MROWS\n I = NLAYER\n \n A( ROW ) = E1( I ) - RSFC * E3( I )\n B( ROW ) = E2( I ) - RSFC * E4( I )\n D( ROW ) = 0.0\n E( ROW ) = SSFC - CUPTN( I ) + RSFC * CDNTN( I )\n\nC...solve tri-diagonal matrix:\n\n CALL TRIDIAG ( A, B, D, E, Y, MROWS )\n\nC...unfold solution of matrix, compute output fluxes:\n\n ROW = 1 \n LEV = 1\n J = 1\n TAUG = 0.0\n \nC...the following equations are from pg 16,291 equations 31 & 32\n\n FDR( LEV ) = 1.0\n EDR( LEV ) = MU\n EDN( LEV ) = FDN0\n EUP( LEV ) = Y( ROW ) * E3( J ) - Y( ROW + 1 ) * E4( J )\n & + CUP( J )\n FDN( LEV ) = EDN( LEV ) / MU1( LEV )\n FUP( LEV ) = EUP( LEV ) / MU1( LEV )\n\n DO LEV = 2, NLAYER + 1\n TAUG = TAUG + TAUN( J )\n FDR( LEV ) = EXP( -TAUG / MU )\n EDR( LEV ) = MU * FDR( LEV )\n EDN( LEV ) = Y( ROW ) * E3( J ) + Y( ROW + 1 ) * E4( J )\n & + CDNTN( J )\n EUP( LEV ) = Y( ROW ) * E1( J ) + Y( ROW + 1 ) * E2( J )\n & + CUPTN( J )\n FDN( LEV ) = EDN( LEV ) / MU1( J )\n FUP( LEV ) = EUP( LEV ) / MU1( J )\n\n ROW = ROW + 2\n J = J + 1\n END DO\n\n RETURN\n END\n" }, { "path": "UTIL/nml/README.md", "content": "# Convert .csv to namelist format (csv2nml) & Convert namelist format to .csv (nml2csv)\n\n\n\nCSV2NML and NML2CSV are used to convert the species definition files from CSV format to NAMELIST files and from a NAMELIST format to a CSV file, respectively. The NAMELIST files are used as inputs to the CMAQ programs ICON, BCON, or CCTM to define the processes that will impact each model species. Four NAMELIST files define the processes for gas-phase species (GC.nml), aerosol species (AE.nml), nonreactive species (NR.nml) and tracer speces (TR.nml).\n\n#### CSV2NML input files & NML2CSV output files\n\nDetailed descriptions of the formats of the files shown in [Table 4-1](../../DOCS/Users_Guide/CMAQ_UG_ch04_model_inputs.md#Table4-1) are provided in [Chapter 4](../../DOCS/Users_Guide/CMAQ_UG_ch04_model_inputs.md#Table4-1). \n\n\n\n**Table 1. CSV2NML input files & NML2CSV output files**\n\n|**File Name**|**Format**|**Description**|\n|--------|--------|--------------------------------------------------------------------------|\n|GC.csv|ASCII|Gas-phase species process parameters. This file defines the source and sink processes that impact the concentrations of every gas-phase species in the chemical mechanism.|\n|AE.csv|ASCII|Aerosol-phase species process parameters. This file defines the source and sink processes that impact the concentrations of every aerosol-phase species in the chemical mechanism.|\n|NR.csv|ASCII|Nonreactive species process parameters. This file defines the source and sink processes that impact the concentrations of every nonreactive species in the chemical mechanism.|\n\n\n\n**Table 2. CSV2NML output files & NML2CSV input files**\n\n|**File Name**|**Format**|**Description**|\n|--------|--------|--------------------------------------------------------------------------|\n|GC.nml|ASCII|Gas-phase species process parameters. This file defines the source and sink processes that impact the concentrations of every gas-phase species in the chemical mechanism.|\n|AE.nml|ASCII|Aerosol-phase species process parameters. This file defines the source and sink processes that impact the concentrations of every aerosol-phase species in the chemical mechanism.|\n|NR.nml|ASCII|Nonreactive species process parameters. This file defines the source and sink processes that impact the concentrations of every nonreactive species in the chemical mechanism.|\n|TR.nml|ASCII|Tracer species process parameters. This file defines the source and sink processes that impact the concentrations of every tracer species in the chemical mechanism.|\n\n#### CSV2NML & NML2CSV usage \n\nThe CSV2NML script is configured to read in a CSV file from the command line and output a NAMELIST file that can be used with CMAQ. The CSV file to be input, currently, has to configured with a certain format to be consistent with how it is read in the existing CMAQ program suite. \n\nAn example of how to configure your CSV file is shown below: \n\n\n\n**Example Tracer CSV File**\n\n|**Species**|**MOLWT**|**ICBC**|**ICBC_FAC**|**DEPV**|**DEPV_FAC**|**SCAV**|**SCAV_FAC**|**TR2AE**|**TR2AQ**|**ADVC**|**DIFF**|**DDEP**|**WDEP**|**CONC**|\n|:------:|:----:|:----:|:---:|:-----:|:---:|:---:|:----:|:---:|:----:|:----:|:----:|:----:|:----:|:----:|\n|O3_1|48.0|O3|1|VD_O3|1|O3|1| | |YES|YES|YES|YES|YES|\n\n**NOTE: Certain columns can be left blank, if desired, like in the above example. Also, please be sure to save your CSV file as either a GC, AE, NR or TR file as seen in Table 7-11. Refer to [Chapter 4](../../DOCS/Users_Guide/CMAQ_UG_ch04_model_inputs.md) for more information.**\n\n\nAn example of how to use CSV2NML to create a tracer species NAMELIST file is included below:\n\n```\ncd $CMAQ_HOME/UTIL/nml/scripts\n./csv2nml.csh TR.CSV\n```\n\nThere is also a script to convert an existing namelist file to a CSV, the command to call this script is shown below:\n\n```\ncd $CMAQ_HOME/UTIL/nml/scripts\n./nml2csv.csh TR.nml\n```\n\n\n" }, { "path": "UTIL/nml/scripts/csv2nml.csh", "content": "#! /bin/csh -f\n\n# RCS file, release, date & time of last delta, author, state, [and locker]\n# $Header$\n\n#> csv2nml - csh script to create a namelist (.nml) from a csv (.csv)\n#set echo\n\n if ( $#argv < 1 ) then\n echo \" usage: cvs2nml \"\n exit\n endif\n\n set File = $argv[1]\n set Tail = $File:t\n set Name = $Tail:r\n\n#> determine which species category\n @ Ndx = `echo $Name | awk 'P=index($0,\"GC\") {print(P)}'`\n#echo $Ndx\n if ( $Ndx != 0 ) then\n set Cat = GC\n# echo $Cat\n else\n @ Ndx = `echo $Name | awk 'P=index($0,\"AE\") {print(P)}'`\n# echo $Ndx\n if ( $Ndx != 0 ) then\n set Cat = AE\n# echo $Cat\n else\n @ Ndx = `echo $Name | awk 'P=index($0,\"NR\") {print(P)}'`\n# echo $Ndx\n if ( $Ndx != 0 ) then\n set Cat = NR\n# echo $Cat\n else\n @ Ndx = `echo $Name | awk 'P=index($0,\"TR\") {print(P)}'`\n# echo $Ndx\n if ( $Ndx != 0 ) then\n set Cat = TR\n# echo $Cat\n else\n echo \" error determining mechanism category\"\n exit\n endif\n endif\n endif\n endif\n\n pwd\n echo \" Converting $File\"\n\n\n\n#> modify csv to a \"colon separated values\" file with main variables defined\n#> in which each line is a character string\n sed \\\n -e 's/\\r//' \\\n -e '1s/^/\\!/' \\\n -e \"1\\!s/\\s//g\" \\\n -e \"1\\!s/[A-Za-z0-9]*[[-]]*[A-Za-z]\\w*\\|[A-Za-z]\\w*\\|[A-Za-z0-9]*[[_]]*[A-Za-z]\\w*/'&\\'/g\" \\\n -e '1\\!s/^\\,//' \\\n -e '1\\!s/$/\\,/' \\\n -e \"1\\!s/\\,\\,/\\,\\'\\'\\,/g\" \\\n -e \"1\\!s/\\,\\,/\\,\\'\\'\\,/g\" \\\n -e '$ s/\\,$//' \\\n $File > ! /tmp/${Name}_$$\n\n#> add eof to namelist\n echo \"/\" >> /tmp/${Name}_$$\n\n#> create top part of namelist\n echo \"&${Cat}_nml\" > /tmp/nml_$$\n echo \" \" >> /tmp/nml_$$\n echo \"${Cat}_Species_Data =\" >> /tmp/nml_$$\necho \" \" >> /tmp/nml_$$\n\n#> insert top part of namelist\n cat /tmp/nml_$$ /tmp/${Name}_$$ > $Name.mod\n\n if ( -e $Name.nml ) then\n echo \"don't overwrite $Name.nml\"\n exit 1\n endif\n /bin/mv $Name.mod $Name.nml\n\n /bin/rm /tmp/nml_$$ /tmp/${Name}_$$\n\n exit\n\n#> description\n#> sed \\\n#> -e 's/\\r//' <- remove any carriage returns (\"cr\" or \"^M\")\n#> -e '1s/^/\\!/' <- Insert Comment Symbol before Matrix Header to \n#> ensure it does not get read \n#> -e \"1\\!s/\\s//g\" <- Remove any spaces present in the list \n#> -e \"1\\!s/[A-Za-z0-9]*[[-]] <- Look for patterns that has words and put and\n#> *[A-Za-z]\\w*\\|[A-Za-z]\\w*\\ single quote around them \n#> |[A-Za-z0-9]*[[_]]*[A-Za-z]\n#> \\w*/'&\\'/g\" \\ \n#> single quote around them \n#> -e '1\\!s/^\\,//' <- Delete a comma from start of each line \n#> if present \n#> -e '1\\!s/$/\\,/' <- Add a comma to the end of each line to signify \n#> line break\n#> -e \"1\\!s/\\,\\,/\\,\\'\\'\\,/g\" <- Add quotes to any fields that are left blank and have\n#> 2 commas surronding them \n#> -e \"1\\!s/\\,\\,/\\,\\'\\'\\,/g\" <- Add quotes to any fileds that are left blank and have \n#> 3 commas surrounding them\n#> -e '$ s/\\,$//' <- go to last line and delete the \",\" after the last char\n#> in the line\n#> ( \"$\" is a special address, representing the last line)\n\n\n" }, { "path": "UTIL/nml/scripts/nml2csv.csh", "content": "#! /bin/csh -f\n\n# RCS file, release, date & time of last delta, author, state, [and locker]\n# $Header$\n\n#> nml2csv - csh script to revert a sednml Namelist file back to a .csv\n#> requirements: the nml Namelist file must be in the subdir; i.e. this script\n#> does not support a file path.\n\n#set echo\n\n if ( $#argv == 0 ) then\n echo \" usage: nml2csv \"\n exit\n endif\n\n set File = $argv[1]\n set Name = $File:r\n\n if ( -e ${Name}.csv ) then\n echo \" ${Name}.csv exists. Not overwriting\"\n exit\n endif\n\n pwd\n echo \" Converting $File\"\n\n#> conversion\n sed \\\n -e '1,4d' \\\n -e 's/'^!'//' \\\n -e \"1\\!s/\\s//g\"\\\n -e '/\\//,/$/d' \\\n -e \"s/'//g\" \\\n -e 's/,$//' \\\n $File > ! /tmp/${Name}_$$\n\n /bin/mv /tmp/${Name}_$$ $Name.csv\n\n exit\n\n#> description\n#> sed \\\n#> -e '1,4d' <- delete the first 4 lines of namelist file\n#> -e 's/'^!'//' <- delte the comment symbole (!)\n#> -e \"1\\!s/\\s//g\" <- delete all spaces existing in the file\n#> -e '/\\//,/$/d' <- delete the last lines (starting at \"/\")\n#> -e \"s/'//g\" <- remove all \"'\"s\n#> -e 's/,$//' <- remove last \",\" in all lines\n" }, { "path": "config_cmaq.csh", "content": "#!/bin/csh -f\n\n# ================= CMAQv5.5.X Configuration Script ================= #\n# Requirements: I/O API & netCDF libraries #\n# PGI, Intel, or Gnu Fortran compiler #\n# MPICH for multiprocessor computing #\n# Optional: Git for GitHub source code repository #\n# #\n# Note that this script was configured/tested on Red Hat Linux O/S #\n# #\n# To report problems or request help with this script/program: #\n# http://www.cmascenter.org/help-desk.cfm #\n# =================================================================== #\n\n#> Critical Folder Locations\n # CMAQ_HOME - this is where the config_cmaq.csh script is located. It\n # is also the root directory for all the executables. It may include \n # the repository if the user is building CMAQ inside the repository. It\n # may, on the other hand, be outside the repository if the user has \n # created a separate project directory where they wish to put build-\n # and run-scripts as well as executables.\n setenv CMAQ_HOME $cwd\n\n # CMAQ_REPO - this is always the location of the CMAQ repository that\n # the user will pull from to create executables. If the user is building\n # CMAQ inside the repository then it will be equal to CMAQ_HOME. If not,\n # the user must supply an alternative folder locaiton.\n setenv CMAQ_REPO $CMAQ_HOME\n\n # CMAQ_DATA - this may be where the input data are located. It may be a \n # symbolic link to another location on the system, but it should be\n # provided here \n setenv CMAQ_DATA $CMAQ_HOME/data\n if ( ! -d $CMAQ_DATA ) mkdir -p $CMAQ_DATA\n\n cd $CMAQ_HOME\n\n#===============================================================================\n#> architecture & compiler specific settings\n#===============================================================================\n\n#> Set the compiler option\n if ( $#argv == 1 ) then\n #> Use the user's input to set the compiler parameter\n setenv compiler $1\n setenv compilerVrsn Empty\n else if ( $#argv == 2 ) then\n #> Compiler Name and Version have been provided\n setenv compiler $1\n setenv compilerVrsn $2\n else if ( $#argv == 0 ) then\n #> If config.cmaq is called from Bldit.cctm or run.cctm, then this \n #> variable is already defined\n if ( ! $?compiler ) then\n echo \"Error: 'compiler' should be set either in the\"\n echo \" environment or as input to config.cmaq\"\n echo \" Example:> ./config.cmaq [compiler]\"\n echo \" Options: intel | gcc | pgi\"\n exit\n else if ( ! $?compilerVrsn ) then\n setenv compilerVrsn Empty\n endif\n else\n #> More than two inputs were given. Exit this script just to\n #> be on the safe side.\n echo \"Error: Too many inputs to config.cmaq. This script\"\n echo \" is expecting one input (the name of the\"\n echo \" desired compiler. In some installations, you \"\n echo \" may also be able to specify the compiler version \"\n echo \" as the second input, but this is not by default.\"\n exit\n endif\n echo \"Compiler is set to $compiler\"\n\n\n#> Compiler flags and settings\n switch ( $compiler )\n\n#> Intel fortran compiler......................................................\n case intel:\n\n #> I/O API, netCDF Library Locations -- used in WRF-CMAQ\n setenv NETCDF netcdf_root_intel # Note please combine netCDF-C & Fortran Libraries \n setenv IOAPI ioapi_root_intel \n setenv WRF_ARCH # [1-75] \n \n #> I/O API, netCDF, and MPI Library Locations -- used in CMAQ\n setenv IOAPI_INCL_DIR ioapi_inc_intel #> I/O API include header files\n setenv IOAPI_LIB_DIR ioapi_lib_intel #> I/O API libraries\n setenv NETCDF_LIB_DIR netcdf_lib_intel #> netCDF C directory path\n setenv NETCDF_INCL_DIR netcdf_inc_intel #> netCDF C directory path\n setenv NETCDFF_LIB_DIR netcdff_lib_intel #> netCDF Fortran directory path\n setenv NETCDFF_INCL_DIR netcdff_inc_intel #> netCDF Fortran directory path\n setenv MPI_INCL_DIR mpi_incl_intel #> MPI Include directory path\n setenv MPI_LIB_DIR mpi_lib_intel #> MPI Lib directory path\n \n #> Compiler Aliases and Flags\n #> set the compiler flag -qopt-report=5 to get a model optimization report in the build directory with the optrpt extension\n setenv myFC mpiifort\n setenv myCC icc \n setenv myFSTD \"-O3 -fno-alias -mp1 -fp-model source -ftz -simd -align all -xHost -vec-guard-write -unroll-aggressive\"\n setenv myDBG \"-O0 -g -check bounds -check uninit -fpe0 -fno-alias -ftrapuv -traceback\"\n setenv myLINK_FLAG #\"-qopenmp-simd\" openMP not supported w/ CMAQ\n setenv myFFLAGS \"-fixed -132\"\n setenv myFRFLAGS \"-free\"\n setenv myCFLAGS \"-O2\"\n setenv extra_lib \"\"\n \n breaksw\n \n#> Portland Group fortran compiler.............................................\n case pgi:\n\n #> I/O API, netCDF Library Locations -- used in WRF-CMAQ\n setenv NETCDF netcdf_root_pgi # Note please combine netCDF-C & Fortran Libraries \n setenv IOAPI ioapi_root_pgi \n setenv WRF_ARCH # [1-75] \n \n #> I/O API, netCDF, and MPI Library Locations -- used in CMAQ\n setenv IOAPI_INCL_DIR iopai_inc_pgi #> I/O API include header files\n setenv IOAPI_LIB_DIR ioapi_lib_pgi #> I/O API libraries\n setenv NETCDF_LIB_DIR netcdf_lib_pgi #> netCDF C directory path\n setenv NETCDF_INCL_DIR netcdf_inc_pgi #> netCDF C directory path\n setenv NETCDFF_LIB_DIR netcdff_lib_pgi #> netCDF Fortran directory path\n setenv NETCDFF_INCL_DIR netcdff_inc_pgi #> netCDF Fortran directory path\n setenv MPI_INCL_DIR mpi_incl_pgi #> MPI Include directory path\n setenv MPI_LIB_DIR mpi_lib_pgi #> MPI Lib directory path\n \n #> Compiler Aliases and Flags\n setenv myFC mpifort \n setenv myCC pgcc\n setenv myLINK_FLAG # \"-mp\" openMP not supported w/ CMAQ\n setenv myFSTD \"-O3\"\n setenv myDBG \"-O0 -g -Mbounds -Mchkptr -traceback -Ktrap=fp\"\n setenv myFFLAGS \"-Mfixed -Mextend -mcmodel=medium -tp px\"\n setenv myFRFLAGS \"-Mfree -Mextend -mcmodel=medium -tp px\"\n setenv myCFLAGS \"-O2\"\n setenv extra_lib \"\"\n \n breaksw\n \n#> gfortran compiler............................................................\n case gcc:\n \n #> I/O API, netCDF Library Locations -- used in WRF-CMAQ\n setenv NETCDF netcdf_root_gcc # Note please combine netCDF-C & Fortran Libraries \n setenv IOAPI ioapi_root_gcc \n setenv WRF_ARCH # [1-75] \n \n #> I/O API, netCDF, and MPI Library Locations -- used in CMAQ\n setenv IOAPI_INCL_DIR ioapi_inc_gcc #> I/O API include header files\n setenv IOAPI_LIB_DIR ioapi_lib_gcc #> I/O API libraries\n setenv NETCDF_LIB_DIR netcdf_lib_gcc #> netCDF C directory path\n setenv NETCDF_INCL_DIR netcdf_inc_gcc #> netCDF C directory path\n setenv NETCDFF_LIB_DIR netcdff_lib_gcc #> netCDF Fortran directory path\n setenv NETCDFF_INCL_DIR netcdff_inc_gcc #> netCDF Fortran directory path\n setenv MPI_INCL_DIR mpi_incl_gcc #> MPI Include directory path\n setenv MPI_LIB_DIR mpi_lib_gcc #> MPI Lib directory path\n\n #> Compiler Aliases and Flags\n #> set the compiler flag -fopt-info-missed to generate a missed optimization report in the bldit logfile\n setenv myFC mpifort\n setenv myCC gcc\n setenv myFSTD \"-O3 -funroll-loops -finit-character=32 -Wtabs -Wsurprising -ftree-vectorize -ftree-loop-if-convert -finline-limit=512\"\n setenv myDBG \"-Wall -O0 -g -fcheck=all -ffpe-trap=invalid,zero,overflow -fbacktrace\"\n setenv myFFLAGS \"-ffixed-form -ffixed-line-length-132 -funroll-loops -finit-character=32 -std=legacy\"\n setenv myFRFLAGS \"-ffree-form -ffree-line-length-none -funroll-loops -finit-character=32\"\n setenv myCFLAGS \"-O2\"\n setenv myLINK_FLAG # \"-fopenmp\" openMP not supported w/ CMAQ\n setenv extra_lib \"\"\n \n breaksw\n\n default:\n echo \"*** Compiler $compiler not found\"\n exit(2)\n breaksw\n\n endsw\n \n#> Apply Specific Module and Library Location Settings for those working inside EPA\n # source /work/MOD3DEV/cmaq_common/cmaq_env.csh #>>> UNCOMMENT if at EPA\n\n#> Add the Compiler Version Number to the Compiler String if it's not empty\n setenv compilerString ${compiler}\n if ( $compilerVrsn != \"Empty\" ) then\n setenv compilerString ${compiler}${compilerVrsn}\n endif\n\n#===============================================================================\n \n#> I/O API, netCDF, and MPI libraries\n setenv netcdf_lib \"-lnetcdf\" #> -lnetcdff -lnetcdf for netCDF v4.2.0 and later\n setenv netcdff_lib \"-lnetcdff\"\n setenv ioapi_lib \"-lioapi\"\n setenv pnetcdf_lib \"-lpnetcdf\"\n setenv mpi_lib \"-lmpi\" #> -lmpich or -lmvapich \n\n#> Query System Info and Current Working Directory\n setenv system \"`uname -m`\"\n setenv bld_os \"`uname -s``uname -r | cut -d. -f1`\"\n setenv lib_basedir $CMAQ_HOME/lib\n\n#> Generate Library Locations\n setenv CMAQ_LIB ${lib_basedir}/${system}/${compilerString}\n setenv MPI_DIR $CMAQ_LIB/mpi\n setenv NETCDF_DIR $CMAQ_LIB/netcdf\n setenv NETCDFF_DIR $CMAQ_LIB/netcdff\n setenv PNETCDF_DIR $CMAQ_LIB/pnetcdf\n setenv IOAPI_DIR $CMAQ_LIB/ioapi\n\n#> Create Symbolic Links to Libraries\n if ( ! -d $CMAQ_LIB ) mkdir -p $CMAQ_LIB\n if ( -e $MPI_DIR ) rm -rf $MPI_DIR\n mkdir $MPI_DIR\n ln -s $MPI_LIB_DIR $MPI_DIR/lib\n ln -s $MPI_INCL_DIR $MPI_DIR/include\n if ( ! -d $NETCDF_DIR ) mkdir $NETCDF_DIR\n if ( ! -e $NETCDF_DIR/lib ) ln -sfn $NETCDF_LIB_DIR $NETCDF_DIR/lib\n if ( ! -e $NETCDF_DIR/include ) ln -sfn $NETCDF_INCL_DIR $NETCDF_DIR/include\n if ( ! -d $NETCDFF_DIR ) mkdir $NETCDFF_DIR\n if ( ! -e $NETCDFF_DIR/lib ) ln -sfn $NETCDFF_LIB_DIR $NETCDFF_DIR/lib\n if ( ! -e $NETCDFF_DIR/include ) ln -sfn $NETCDFF_INCL_DIR $NETCDFF_DIR/include\n if ( ! -d $IOAPI_DIR ) then\n mkdir $IOAPI_DIR\n ln -sfn $IOAPI_INCL_DIR $IOAPI_DIR/include_files\n ln -sfn $IOAPI_LIB_DIR $IOAPI_DIR/lib\n endif\n\n#> Check for netcdf and I/O API libs/includes, error if they don't exist\n if ( ! -e $NETCDF_DIR/lib/libnetcdf.a ) then \n echo \"ERROR: $NETCDF_DIR/lib/libnetcdf.a does not exist in your CMAQ_LIB directory!!! Check your installation before proceeding with CMAQ build.\"\n exit\n endif\nif ( ! -e $NETCDFF_DIR/lib/libnetcdff.a ) then\n echo \"ERROR: $NETCDFF_DIR/lib/libnetcdff.a does not exist in your CMAQ_LIB directory!!! Check your installation before proceeding with CMAQ build.\"\n exit\n endif\n if ( ! -e $IOAPI_DIR/lib/libioapi.a ) then \n echo \"ERROR: $IOAPI_DIR/lib/libioapi.a does not exist in your CMAQ_LIB directory!!! Check your installation before proceeding with CMAQ build.\"\n exit\n endif\n if ( ! -e $IOAPI_DIR/lib/m3utilio.mod ) then \n echo \"ERROR: $IOAPI_MOD_DIR/m3utilio.mod does not exist in your CMAQ_LIB directory!!! Check your installation before proceeding with CMAQ build.\"\n exit\n endif\n\n#> Set executable id\n setenv EXEC_ID ${bld_os}_${system}${compilerString}\n" }, { "path": "license.md", "content": "# MIT License\n\nCopyright (c) 2019 U.S. Federal Government (in countries where recognized)\n\nPermission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the \"Software\"), to deal in the Software without restriction, including without limitation the rights to use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies of the Software, and to permit persons to whom the Software is furnished to do so, subject to the following conditions:\n\nThe above copyright notice and this permission notice shall be included in all copies or substantial portions of the Software.\n\nTHE SOFTWARE IS PROVIDED \"AS IS\", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE.\n" } ]